smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000000002941 384068002 /nfs/dbraw/zinc/06/80/02/384068002.db2.gz ZSYUBOIZBFBECS-UHFFFAOYSA-N 1 0 243.272 3.691 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000000013372 169370534 /nfs/dbraw/zinc/37/05/34/169370534.db2.gz TZGVTDOMNUBNMV-SNVBAGLBSA-N 1 0 211.736 3.618 20 0 BHADRO c1ccc2c(c1)CN(c1cc[nH+]c3ccccc31)C2 ZINC000000026872 398277275 /nfs/dbraw/zinc/27/72/75/398277275.db2.gz SPSXCZMMEURJOF-UHFFFAOYSA-N 1 0 246.313 3.755 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCc3ccccc32)cs1 ZINC000000251495 183442785 /nfs/dbraw/zinc/44/27/85/183442785.db2.gz KEMCJGOPVGMEFE-OAHLLOKOSA-N 1 0 243.375 3.915 20 0 BHADRO Cc1ccc(Nc2nc3ccccc3n2C)cc1 ZINC000000512999 385352656 /nfs/dbraw/zinc/35/26/56/385352656.db2.gz FYESONDFHKCMRE-UHFFFAOYSA-N 1 0 237.306 3.625 20 0 BHADRO CCCC[C@H](Cc1ccccc1)[NH2+]CCC ZINC000001533060 169006041 /nfs/dbraw/zinc/00/60/41/169006041.db2.gz JDWIAKLHBJDFAP-OAHLLOKOSA-N 1 0 219.372 3.788 20 0 BHADRO CCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000001554623 388585950 /nfs/dbraw/zinc/58/59/50/388585950.db2.gz FMVGPDJTALMVAC-UHFFFAOYSA-N 1 0 243.394 3.767 20 0 BHADRO c1ccc(CCC[NH2+]C2CCCCC2)cc1 ZINC000001555940 183392293 /nfs/dbraw/zinc/39/22/93/183392293.db2.gz DDOLUSSGGWOTFJ-UHFFFAOYSA-N 1 0 217.356 3.542 20 0 BHADRO c1ccc(SCCC[NH+]2CCCCC2)cc1 ZINC000001603386 229221708 /nfs/dbraw/zinc/22/17/08/229221708.db2.gz UHPFMXXJLCEDEC-UHFFFAOYSA-N 1 0 235.396 3.655 20 0 BHADRO Cc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000001603387 357001239 /nfs/dbraw/zinc/00/12/39/357001239.db2.gz USCJCKXEPTZUGR-UHFFFAOYSA-N 1 0 235.396 3.573 20 0 BHADRO Cc1ccccc1SCC[NH+]1CCCCC1 ZINC000001603388 357001282 /nfs/dbraw/zinc/00/12/82/357001282.db2.gz DHEWTWGZYOOTQC-UHFFFAOYSA-N 1 0 235.396 3.573 20 0 BHADRO c1ccc(CCNc2cc[nH+]c3ccccc23)cc1 ZINC000001729253 183395077 /nfs/dbraw/zinc/39/50/77/183395077.db2.gz FGKUOPSGOIHRAV-UHFFFAOYSA-N 1 0 248.329 3.889 20 0 BHADRO CCCCCCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000001851842 342713101 /nfs/dbraw/zinc/71/31/01/342713101.db2.gz RLRTXNKPHNALGI-GFCCVEGCSA-N 1 0 221.344 3.665 20 0 BHADRO CCCCCCOc1ccc([C@H](C)[NH3+])cc1 ZINC000001851843 168672450 /nfs/dbraw/zinc/67/24/50/168672450.db2.gz RLRTXNKPHNALGI-LBPRGKRZSA-N 1 0 221.344 3.665 20 0 BHADRO C[N@H+](CCCc1ccccc1)C1CCCCC1 ZINC000001887635 388443975 /nfs/dbraw/zinc/44/39/75/388443975.db2.gz MXCMHPQGTRDFIX-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO CC[NH+](CC)CCSc1ccccc1Cl ZINC000001999778 350184788 /nfs/dbraw/zinc/18/47/88/350184788.db2.gz CYZPPNZUOVYZGC-UHFFFAOYSA-N 1 0 243.803 3.774 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000002005537 177074939 /nfs/dbraw/zinc/07/49/39/177074939.db2.gz DYEKCERXJGJWKL-AWEZNQCLSA-N 1 0 245.366 3.524 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000002005538 176071539 /nfs/dbraw/zinc/07/15/39/176071539.db2.gz DYEKCERXJGJWKL-CQSZACIVSA-N 1 0 245.366 3.524 20 0 BHADRO CC(C)C[NH+](CC(C)C)[C@H]1C=CCCC1 ZINC000002022264 351890065 /nfs/dbraw/zinc/89/00/65/351890065.db2.gz MPXXLFAWLQXDBJ-AWEZNQCLSA-N 1 0 209.377 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccccc3C2)s1 ZINC000002389218 388455365 /nfs/dbraw/zinc/45/53/65/388455365.db2.gz QXVLCMKUOIWHIQ-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000002486723 176021612 /nfs/dbraw/zinc/02/16/12/176021612.db2.gz GJJSQPPDUJHDOE-ZDUSSCGKSA-N 1 0 223.319 3.763 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000002486725 177039596 /nfs/dbraw/zinc/03/95/96/177039596.db2.gz GJJSQPPDUJHDOE-CYBMUJFWSA-N 1 0 223.319 3.763 20 0 BHADRO CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000002560505 342724235 /nfs/dbraw/zinc/72/42/35/342724235.db2.gz WBGPDYJIPNTOIB-UHFFFAOYSA-N 1 0 225.335 3.709 20 0 BHADRO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000002576576 173388081 /nfs/dbraw/zinc/38/80/81/173388081.db2.gz WDEPNINYBJWZNX-UHFFFAOYSA-N 1 0 231.726 3.726 20 0 BHADRO C[N@H+](CCC(=O)c1ccccc1)C1CCCCC1 ZINC000003176454 363084727 /nfs/dbraw/zinc/08/47/27/363084727.db2.gz KFHNKQLILJWXRB-UHFFFAOYSA-N 1 0 245.366 3.524 20 0 BHADRO CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000003622087 169275512 /nfs/dbraw/zinc/27/55/12/169275512.db2.gz ORWZGFCBIQOWJP-MNOVXSKESA-N 1 0 225.763 3.832 20 0 BHADRO CCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000003622089 169285844 /nfs/dbraw/zinc/28/58/44/169285844.db2.gz ORWZGFCBIQOWJP-GHMZBOCLSA-N 1 0 225.763 3.832 20 0 BHADRO CCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000003622090 169276260 /nfs/dbraw/zinc/27/62/60/169276260.db2.gz ORWZGFCBIQOWJP-QWRGUYRKSA-N 1 0 225.763 3.832 20 0 BHADRO CCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000003622092 169286287 /nfs/dbraw/zinc/28/62/87/169286287.db2.gz ORWZGFCBIQOWJP-WDEREUQCSA-N 1 0 225.763 3.832 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccccc1 ZINC000003630587 527618112 /nfs/dbraw/zinc/61/81/12/527618112.db2.gz UJVYMPLLPVITGN-UHFFFAOYSA-N 1 0 205.345 3.601 20 0 BHADRO c1ccc2cc(C[NH+]3CCCCC3)ccc2c1 ZINC000003632557 183457486 /nfs/dbraw/zinc/45/74/86/183457486.db2.gz KEAMGSGUUNWSOY-UHFFFAOYSA-N 1 0 225.335 3.826 20 0 BHADRO Cc1cc(C)c(-c2csc([C@H](C)[NH3+])n2)c(C)c1 ZINC000003708727 385927356 /nfs/dbraw/zinc/92/73/56/385927356.db2.gz DQIYVCSGGSDUKL-NSHDSACASA-N 1 0 246.379 3.755 20 0 BHADRO CC(C)c1ccc(-c2csc([C@H](C)[NH3+])n2)cc1 ZINC000003708729 350122658 /nfs/dbraw/zinc/12/26/58/350122658.db2.gz NELLUNSJRMSSEG-JTQLQIEISA-N 1 0 246.379 3.953 20 0 BHADRO Cc1cc(C)c(-c2csc([C@H](C)[NH3+])n2)cc1C ZINC000003708741 385926632 /nfs/dbraw/zinc/92/66/32/385926632.db2.gz NVXFPPXKWKMCSH-NSHDSACASA-N 1 0 246.379 3.755 20 0 BHADRO CCCc1ccc(-c2csc([C@H](C)[NH3+])n2)cc1 ZINC000003708745 356042601 /nfs/dbraw/zinc/04/26/01/356042601.db2.gz VMFOMGIGGBWGMC-JTQLQIEISA-N 1 0 246.379 3.782 20 0 BHADRO C[NH2+]Cc1nc(-c2ccc(C(C)C)cc2)cs1 ZINC000003710599 173395699 /nfs/dbraw/zinc/39/56/99/173395699.db2.gz DEVOBPFYUOMAHR-UHFFFAOYSA-N 1 0 246.379 3.653 20 0 BHADRO CC(C)[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000004101348 342742166 /nfs/dbraw/zinc/74/21/66/342742166.db2.gz OCHVBLDZZMKZDS-UHFFFAOYSA-N 1 0 240.350 3.665 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCc3ccccc32)cs1 ZINC000004346407 384058356 /nfs/dbraw/zinc/05/83/56/384058356.db2.gz KEMCJGOPVGMEFE-HNNXBMFYSA-N 1 0 243.375 3.915 20 0 BHADRO CC(C)C[NH+](CC(C)C)[C@@H]1C=CCCC1 ZINC000004901019 353817320 /nfs/dbraw/zinc/81/73/20/353817320.db2.gz MPXXLFAWLQXDBJ-CQSZACIVSA-N 1 0 209.377 3.709 20 0 BHADRO CC(C)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000005284708 385005180 /nfs/dbraw/zinc/00/51/80/385005180.db2.gz UYUOXMWECUXEOK-UHFFFAOYSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005337121 342762227 /nfs/dbraw/zinc/76/22/27/342762227.db2.gz ACYNSACEHCEQNO-AWEZNQCLSA-N 1 0 203.329 3.624 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005337472 342762289 /nfs/dbraw/zinc/76/22/89/342762289.db2.gz ACYNSACEHCEQNO-CQSZACIVSA-N 1 0 203.329 3.624 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1)c1ccccc1 ZINC000005383936 187247640 /nfs/dbraw/zinc/24/76/40/187247640.db2.gz JSUOCXDSNOVYIQ-UHFFFAOYSA-N 1 0 225.335 3.712 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C1CCCCC1 ZINC000005518125 387506746 /nfs/dbraw/zinc/50/67/46/387506746.db2.gz QEZYMHVKPJJJRZ-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCCC[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000005596345 350200429 /nfs/dbraw/zinc/20/04/29/350200429.db2.gz APLWFNOXASOISE-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000005655703 360491955 /nfs/dbraw/zinc/49/19/55/360491955.db2.gz ICWXHZPCNKKZNB-OAHLLOKOSA-N 1 0 245.366 3.524 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000005656810 360492010 /nfs/dbraw/zinc/49/20/10/360492010.db2.gz ICWXHZPCNKKZNB-HNNXBMFYSA-N 1 0 245.366 3.524 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000005683073 387506128 /nfs/dbraw/zinc/50/61/28/387506128.db2.gz XGEZXIRZOJOBFI-KRWDZBQOSA-N 1 0 237.346 3.676 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000005683078 387505351 /nfs/dbraw/zinc/50/53/51/387505351.db2.gz XGEZXIRZOJOBFI-QGZVFWFLSA-N 1 0 237.346 3.676 20 0 BHADRO Cc1cc(N2CCC(C)CC2)c2ccccc2[nH+]1 ZINC000005697652 350199735 /nfs/dbraw/zinc/19/97/35/350199735.db2.gz SSNGXHLGFUMUFA-UHFFFAOYSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1cc(N2CCCCC2)c2ccccc2[nH+]1 ZINC000005697653 487969112 /nfs/dbraw/zinc/96/91/12/487969112.db2.gz YBJCWVOLJLXONB-UHFFFAOYSA-N 1 0 226.323 3.534 20 0 BHADRO Cc1cc(N2CCCCCC2)c2ccccc2[nH+]1 ZINC000005697654 350199615 /nfs/dbraw/zinc/19/96/15/350199615.db2.gz VCIFKVNBZGMMCK-UHFFFAOYSA-N 1 0 240.350 3.924 20 0 BHADRO Cc1cc(NCC(C)C)c2ccccc2[nH+]1 ZINC000005697655 178156861 /nfs/dbraw/zinc/15/68/61/178156861.db2.gz ZYVJAOIKXJHYDT-UHFFFAOYSA-N 1 0 214.312 3.611 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000005712600 355388190 /nfs/dbraw/zinc/38/81/90/355388190.db2.gz PLYXLYULFKORQI-HNNXBMFYSA-N 1 0 217.356 3.584 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000005712614 355388261 /nfs/dbraw/zinc/38/82/61/355388261.db2.gz PLYXLYULFKORQI-OAHLLOKOSA-N 1 0 217.356 3.584 20 0 BHADRO CCC[NH+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000005833018 384131898 /nfs/dbraw/zinc/13/18/98/384131898.db2.gz IMMAROBNUIRASX-MRXNPFEDSA-N 1 0 231.383 3.666 20 0 BHADRO CCC[NH+](CCC)[C@H]1CCc2ccccc2C1 ZINC000005833142 169152378 /nfs/dbraw/zinc/15/23/78/169152378.db2.gz IMMAROBNUIRASX-INIZCTEOSA-N 1 0 231.383 3.666 20 0 BHADRO CC[NH+](CC)Cc1ccc2ccccc2c1 ZINC000005848512 350204146 /nfs/dbraw/zinc/20/41/46/350204146.db2.gz HZMQTUOWEGILOE-UHFFFAOYSA-N 1 0 213.324 3.682 20 0 BHADRO CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000005852095 170040857 /nfs/dbraw/zinc/04/08/57/170040857.db2.gz VJPKSUBNLIXKJK-UHFFFAOYSA-N 1 0 223.319 3.689 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC000005912255 360500939 /nfs/dbraw/zinc/50/09/39/360500939.db2.gz JTGROXQGIAWPOE-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO CCCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000005973231 384140984 /nfs/dbraw/zinc/14/09/84/384140984.db2.gz NBCWWPAZNKQXBT-UHFFFAOYSA-N 1 0 245.288 3.985 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000005982104 388352063 /nfs/dbraw/zinc/35/20/63/388352063.db2.gz BMHHUGHLZOEJOF-WCFLWFBJSA-N 1 0 237.412 3.971 20 0 BHADRO CC[NH+](CC)Cc1ccc(Cl)cc1Cl ZINC000006139191 350204716 /nfs/dbraw/zinc/20/47/16/350204716.db2.gz MNCLQVKEKBMFDF-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006204459 357162309 /nfs/dbraw/zinc/16/23/09/357162309.db2.gz WTMGISMFFAUECA-UHFFFAOYSA-N 1 0 237.346 3.553 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCc2ccccc2C1 ZINC000006227407 357196080 /nfs/dbraw/zinc/19/60/80/357196080.db2.gz NGTBVPMVXAYHJZ-RMKNXTFCSA-N 1 0 249.357 3.758 20 0 BHADRO CCCCCC[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000006309946 588360161 /nfs/dbraw/zinc/36/01/61/588360161.db2.gz OZYFEQVQMBRJSF-UHFFFAOYSA-N 1 0 247.382 3.634 20 0 BHADRO C=CCOc1cccc(C[NH2+]CCCCCC)c1 ZINC000006427149 635377614 /nfs/dbraw/zinc/37/76/14/635377614.db2.gz ONPBOPSAJQSGPX-UHFFFAOYSA-N 1 0 247.382 3.921 20 0 BHADRO Cc1ccc(C)c(NC2CC[NH+](C(C)C)CC2)c1 ZINC000006546232 388522760 /nfs/dbraw/zinc/52/27/60/388522760.db2.gz OJLAAGZIQQVYJB-UHFFFAOYSA-N 1 0 246.398 3.588 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC000006586355 256531565 /nfs/dbraw/zinc/53/15/65/256531565.db2.gz JTGROXQGIAWPOE-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC000006586363 387228611 /nfs/dbraw/zinc/22/86/11/387228611.db2.gz NLIVSJSZFJVFMW-NFAWXSAZSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC000006586413 384962314 /nfs/dbraw/zinc/96/23/14/384962314.db2.gz JTGROXQGIAWPOE-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC000006586421 256531785 /nfs/dbraw/zinc/53/17/85/256531785.db2.gz NLIVSJSZFJVFMW-UMVBOHGHSA-N 1 0 217.356 3.601 20 0 BHADRO Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC000006675740 383906334 /nfs/dbraw/zinc/90/63/34/383906334.db2.gz FUUNZNRSCXBLEO-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000006868691 388528704 /nfs/dbraw/zinc/52/87/04/388528704.db2.gz BMHHUGHLZOEJOF-KGYLQXTDSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccccc2)cs1 ZINC000006895137 388529615 /nfs/dbraw/zinc/52/96/15/388529615.db2.gz LQXXPHWJLPHITG-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO Cc1ccc(C[N@H+](C)CCc2ccccc2)s1 ZINC000008675637 355325324 /nfs/dbraw/zinc/32/53/24/355325324.db2.gz YNIYVJRZKAXMDV-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000010315429 342835520 /nfs/dbraw/zinc/83/55/20/342835520.db2.gz CYUHVFLSYYURMX-INIZCTEOSA-N 1 0 240.350 3.713 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000010315430 384274125 /nfs/dbraw/zinc/27/41/25/384274125.db2.gz CYUHVFLSYYURMX-MRXNPFEDSA-N 1 0 240.350 3.713 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000010315441 347079565 /nfs/dbraw/zinc/07/95/65/347079565.db2.gz ADDGJIYMXLOFMU-INIZCTEOSA-N 1 0 240.350 3.713 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000010315442 385622392 /nfs/dbraw/zinc/62/23/92/385622392.db2.gz ADDGJIYMXLOFMU-MRXNPFEDSA-N 1 0 240.350 3.713 20 0 BHADRO CC(C)(C)c1csc(-c2ccc(C[NH3+])cc2)n1 ZINC000011566543 384459880 /nfs/dbraw/zinc/45/98/80/384459880.db2.gz QILQEEWEQSMGRL-UHFFFAOYSA-N 1 0 246.379 3.566 20 0 BHADRO CC[NH+](CC)Cc1cc(Cl)nc2ccccc12 ZINC000011568633 645543181 /nfs/dbraw/zinc/54/31/81/645543181.db2.gz PGCKVZLEVSEIJB-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO Cc1sc([C@H](C)[NH3+])nc1-c1ccc(C)c(C)c1 ZINC000011886962 178336861 /nfs/dbraw/zinc/33/68/61/178336861.db2.gz BUNCWLDKOPXSPM-JTQLQIEISA-N 1 0 246.379 3.755 20 0 BHADRO c1ccc2c(C[NH2+]C3CCCCCC3)noc2c1 ZINC000013346190 387346560 /nfs/dbraw/zinc/34/65/60/387346560.db2.gz BNYNZFXASNAKCV-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO c1ccc(CCCC[NH2+]Cc2ccccc2)cc1 ZINC000013736039 187996402 /nfs/dbraw/zinc/99/64/02/187996402.db2.gz ZKASGFDVSKEYOY-UHFFFAOYSA-N 1 0 239.362 3.799 20 0 BHADRO CCC[N@H+](C)CCOc1cccc2ccccc21 ZINC000013776470 169077360 /nfs/dbraw/zinc/07/73/60/169077360.db2.gz NNOQKMUYNWQAJH-UHFFFAOYSA-N 1 0 243.350 3.560 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000013890378 388177677 /nfs/dbraw/zinc/17/76/77/388177677.db2.gz TZGVTDOMNUBNMV-JTQLQIEISA-N 1 0 211.736 3.618 20 0 BHADRO Clc1cccc(Cl)c1CN1CCCCC1 ZINC000014193499 344446359 /nfs/dbraw/zinc/44/63/59/344446359.db2.gz QITTYLBDRJYZCL-UHFFFAOYSA-N 1 0 244.165 3.979 20 0 BHADRO CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000014193582 342878072 /nfs/dbraw/zinc/87/80/72/342878072.db2.gz GKCAUPDQYQPFQR-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000014193584 386584594 /nfs/dbraw/zinc/58/45/94/386584594.db2.gz MAOXVTXEAWIKPJ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000014193641 344446597 /nfs/dbraw/zinc/44/65/97/344446597.db2.gz ZFNJKLARVIRLAJ-SNVBAGLBSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000014193642 344446689 /nfs/dbraw/zinc/44/66/89/344446689.db2.gz ZFNJKLARVIRLAJ-JTQLQIEISA-N 1 0 241.737 3.711 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000014193647 344446469 /nfs/dbraw/zinc/44/64/69/344446469.db2.gz ARAJEEIXADICLN-SNVBAGLBSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000014193648 344446640 /nfs/dbraw/zinc/44/66/40/344446640.db2.gz ARAJEEIXADICLN-JTQLQIEISA-N 1 0 241.737 3.711 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000014193663 344446318 /nfs/dbraw/zinc/44/63/18/344446318.db2.gz CTWBKYWRAIAHSW-LLVKDONJSA-N 1 0 223.747 3.572 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000014193664 344446338 /nfs/dbraw/zinc/44/63/38/344446338.db2.gz CTWBKYWRAIAHSW-NSHDSACASA-N 1 0 223.747 3.572 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000014193780 344446970 /nfs/dbraw/zinc/44/69/70/344446970.db2.gz IINHFDVYXCUTOB-SNVBAGLBSA-N 1 0 241.737 3.854 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000014193781 344447140 /nfs/dbraw/zinc/44/71/40/344447140.db2.gz IINHFDVYXCUTOB-JTQLQIEISA-N 1 0 241.737 3.854 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000014193784 344447008 /nfs/dbraw/zinc/44/70/08/344447008.db2.gz JPURIZFYBCRRSC-SNVBAGLBSA-N 1 0 241.737 3.854 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000014193785 344447000 /nfs/dbraw/zinc/44/70/00/344447000.db2.gz JPURIZFYBCRRSC-JTQLQIEISA-N 1 0 241.737 3.854 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000014193800 344446980 /nfs/dbraw/zinc/44/69/80/344446980.db2.gz XZSGYYACXZVVJX-LLVKDONJSA-N 1 0 223.747 3.714 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000014193801 344447025 /nfs/dbraw/zinc/44/70/25/344447025.db2.gz XZSGYYACXZVVJX-NSHDSACASA-N 1 0 223.747 3.714 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1F ZINC000014193912 176116643 /nfs/dbraw/zinc/11/66/43/176116643.db2.gz YSFZQVJCESVYPF-VXGBXAGGSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1F ZINC000014193914 177117060 /nfs/dbraw/zinc/11/70/60/177117060.db2.gz YSFZQVJCESVYPF-TXEJJXNPSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1F ZINC000014193915 177132679 /nfs/dbraw/zinc/13/26/79/177132679.db2.gz YSFZQVJCESVYPF-RYUDHWBXSA-N 1 0 221.319 3.589 20 0 BHADRO Cc1cccc(C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000014193920 344447147 /nfs/dbraw/zinc/44/71/47/344447147.db2.gz GKVCHQIGVHXJCC-ZIAGYGMSSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000014193922 386584051 /nfs/dbraw/zinc/58/40/51/386584051.db2.gz GKVCHQIGVHXJCC-OKILXGFUSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1cccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000014193923 344446963 /nfs/dbraw/zinc/44/69/63/344446963.db2.gz GKVCHQIGVHXJCC-KBPBESRZSA-N 1 0 217.356 3.758 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)cc1 ZINC000014193932 176116711 /nfs/dbraw/zinc/11/67/11/176116711.db2.gz DRCARXRIRVAEDE-VXGBXAGGSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1 ZINC000014193934 177117162 /nfs/dbraw/zinc/11/71/62/177117162.db2.gz DRCARXRIRVAEDE-TXEJJXNPSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)cc1 ZINC000014193935 177132499 /nfs/dbraw/zinc/13/24/99/177132499.db2.gz DRCARXRIRVAEDE-RYUDHWBXSA-N 1 0 221.319 3.589 20 0 BHADRO Cc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000014193941 344446973 /nfs/dbraw/zinc/44/69/73/344446973.db2.gz GNYLJFBQZQJQQW-ZIAGYGMSSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000014193943 386585862 /nfs/dbraw/zinc/58/58/62/386585862.db2.gz GNYLJFBQZQJQQW-OKILXGFUSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000014193944 344446950 /nfs/dbraw/zinc/44/69/50/344446950.db2.gz GNYLJFBQZQJQQW-KBPBESRZSA-N 1 0 217.356 3.758 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(F)c1 ZINC000014193945 176116659 /nfs/dbraw/zinc/11/66/59/176116659.db2.gz OJOZRKFUBFKFOP-VXGBXAGGSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(F)c1 ZINC000014193947 177117848 /nfs/dbraw/zinc/11/78/48/177117848.db2.gz OJOZRKFUBFKFOP-TXEJJXNPSA-N 1 0 221.319 3.589 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(F)c1 ZINC000014193948 177132195 /nfs/dbraw/zinc/13/21/95/177132195.db2.gz OJOZRKFUBFKFOP-RYUDHWBXSA-N 1 0 221.319 3.589 20 0 BHADRO Cc1ccccc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000014193965 344447177 /nfs/dbraw/zinc/44/71/77/344447177.db2.gz ZKHVDXJCXMDPBF-ZIAGYGMSSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1ccccc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000014193967 386584191 /nfs/dbraw/zinc/58/41/91/386584191.db2.gz ZKHVDXJCXMDPBF-OKILXGFUSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1ccccc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000014193968 344447209 /nfs/dbraw/zinc/44/72/09/344447209.db2.gz ZKHVDXJCXMDPBF-KBPBESRZSA-N 1 0 217.356 3.758 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000014194352 344446977 /nfs/dbraw/zinc/44/69/77/344446977.db2.gz ZEVGFPBCOADJNT-VXGBXAGGSA-N 1 0 237.774 3.818 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000014194355 344447075 /nfs/dbraw/zinc/44/70/75/344447075.db2.gz ZEVGFPBCOADJNT-RYUDHWBXSA-N 1 0 237.774 3.818 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2Cl)C1 ZINC000014194364 344446998 /nfs/dbraw/zinc/44/69/98/344446998.db2.gz RQOPOSWRRZHNSD-VXGBXAGGSA-N 1 0 237.774 3.818 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2Cl)C1 ZINC000014194367 344447125 /nfs/dbraw/zinc/44/71/25/344447125.db2.gz RQOPOSWRRZHNSD-RYUDHWBXSA-N 1 0 237.774 3.818 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000014194393 344446985 /nfs/dbraw/zinc/44/69/85/344446985.db2.gz DELDPSHFJKYDOB-VXGBXAGGSA-N 1 0 237.774 3.818 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000014194396 344447234 /nfs/dbraw/zinc/44/72/34/344447234.db2.gz DELDPSHFJKYDOB-RYUDHWBXSA-N 1 0 237.774 3.818 20 0 BHADRO Fc1cccc(Cl)c1C[NH+]1CCCCCC1 ZINC000014194666 386585015 /nfs/dbraw/zinc/58/50/15/386585015.db2.gz ILODZKCVABURMC-UHFFFAOYSA-N 1 0 241.737 3.855 20 0 BHADRO Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000014217341 179082939 /nfs/dbraw/zinc/08/29/39/179082939.db2.gz XBIZMIUAWSRTOC-UHFFFAOYSA-N 1 0 237.346 3.553 20 0 BHADRO C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000014217951 344451821 /nfs/dbraw/zinc/45/18/21/344451821.db2.gz DXIJUTCIRYPRDJ-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO Cc1cccc(C[N@@H+](C)C2CCCCC2)c1 ZINC000014217955 386585131 /nfs/dbraw/zinc/58/51/31/386585131.db2.gz YWZHQCSDCQWXQW-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000014217960 386585308 /nfs/dbraw/zinc/58/53/08/386585308.db2.gz NSLVWKDDSIVFJO-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000014217966 386585615 /nfs/dbraw/zinc/58/56/15/386585615.db2.gz XIRMQVFWHQFCTG-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO C[N@H+](Cc1cccc(F)c1)C1CCCCC1 ZINC000014217967 344451880 /nfs/dbraw/zinc/45/18/80/344451880.db2.gz XFDAETFWXUGDRE-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000014217977 256664496 /nfs/dbraw/zinc/66/44/96/256664496.db2.gz QQZCHTNTLQYMGU-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000015416458 384907445 /nfs/dbraw/zinc/90/74/45/384907445.db2.gz BMHHUGHLZOEJOF-RAIGVLPGSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000015416461 256565973 /nfs/dbraw/zinc/56/59/73/256565973.db2.gz BMHHUGHLZOEJOF-CYZMBNFOSA-N 1 0 237.412 3.971 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccco1 ZINC000019230265 259378293 /nfs/dbraw/zinc/37/82/93/259378293.db2.gz RELWWORWOMSMKX-GFCCVEGCSA-N 1 0 209.333 3.584 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccco1 ZINC000019230266 259378253 /nfs/dbraw/zinc/37/82/53/259378253.db2.gz RELWWORWOMSMKX-LBPRGKRZSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000019230343 355956573 /nfs/dbraw/zinc/95/65/73/355956573.db2.gz QTTYQIATHQXHJI-TZMCWYRMSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000019230344 355957098 /nfs/dbraw/zinc/95/70/98/355957098.db2.gz QTTYQIATHQXHJI-GXTWGEPZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000019230345 355956953 /nfs/dbraw/zinc/95/69/53/355956953.db2.gz QTTYQIATHQXHJI-OCCSQVGLSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000019230346 355957176 /nfs/dbraw/zinc/95/71/76/355957176.db2.gz QTTYQIATHQXHJI-JSGCOSHPSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000019231112 176124610 /nfs/dbraw/zinc/12/46/10/176124610.db2.gz OLAHAFXTYZRJGW-YRGRVCCFSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000019231114 176145478 /nfs/dbraw/zinc/14/54/78/176145478.db2.gz OLAHAFXTYZRJGW-MBNYWOFBSA-N 1 0 233.355 3.825 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1ccco1 ZINC000019231125 712625492 /nfs/dbraw/zinc/62/54/92/712625492.db2.gz OMUOCCXOSPISNQ-UHFFFAOYSA-N 1 0 223.360 3.976 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000019231478 259378146 /nfs/dbraw/zinc/37/81/46/259378146.db2.gz RUZSIEWIFUTNSA-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000019231480 259378044 /nfs/dbraw/zinc/37/80/44/259378044.db2.gz RUZSIEWIFUTNSA-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019231790 583100920 /nfs/dbraw/zinc/10/09/20/583100920.db2.gz UQLJYKLHVLYMDK-UHFFFAOYSA-N 1 0 246.181 3.926 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)CCCC(C)C)c1 ZINC000019232295 259378099 /nfs/dbraw/zinc/37/80/99/259378099.db2.gz FZCHOLMWFNBMJX-AWEZNQCLSA-N 1 0 249.398 4.000 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)CCCC(C)C)c1 ZINC000019232296 259378265 /nfs/dbraw/zinc/37/82/65/259378265.db2.gz FZCHOLMWFNBMJX-CQSZACIVSA-N 1 0 249.398 4.000 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)s1 ZINC000019232755 259378089 /nfs/dbraw/zinc/37/80/89/259378089.db2.gz QYEQVKDOYFKYOO-SMDDNHRTSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)s1 ZINC000019232756 259378188 /nfs/dbraw/zinc/37/81/88/259378188.db2.gz QYEQVKDOYFKYOO-FZMZJTMJSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)s1 ZINC000019232757 259378122 /nfs/dbraw/zinc/37/81/22/259378122.db2.gz QYEQVKDOYFKYOO-BXUZGUMPSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)s1 ZINC000019232758 259378157 /nfs/dbraw/zinc/37/81/57/259378157.db2.gz QYEQVKDOYFKYOO-RISCZKNCSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000019262977 384513268 /nfs/dbraw/zinc/51/32/68/384513268.db2.gz ZXFUMAIKGCBACB-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000019262979 384512805 /nfs/dbraw/zinc/51/28/05/384512805.db2.gz ZXFUMAIKGCBACB-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)s1 ZINC000019269508 384513005 /nfs/dbraw/zinc/51/30/05/384513005.db2.gz AHVRNPGOVTVUOK-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)s1 ZINC000019269510 385184432 /nfs/dbraw/zinc/18/44/32/385184432.db2.gz AHVRNPGOVTVUOK-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1C ZINC000019386347 384518376 /nfs/dbraw/zinc/51/83/76/384518376.db2.gz LISXLJYNRNUINT-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1C ZINC000019386349 384520594 /nfs/dbraw/zinc/52/05/94/384520594.db2.gz LISXLJYNRNUINT-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO COc1ccc2cc([C@@H](C)[NH2+]C3CC3)ccc2c1 ZINC000019429045 175224798 /nfs/dbraw/zinc/22/47/98/175224798.db2.gz SMBFNHNJSDPILZ-LLVKDONJSA-N 1 0 241.334 3.661 20 0 BHADRO COc1ccc2cc([C@H](C)[NH2+]C3CC3)ccc2c1 ZINC000019429047 175224609 /nfs/dbraw/zinc/22/46/09/175224609.db2.gz SMBFNHNJSDPILZ-NSHDSACASA-N 1 0 241.334 3.661 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000019474971 384526241 /nfs/dbraw/zinc/52/62/41/384526241.db2.gz RNOPHNUYQPAWGK-MRVPVSSYSA-N 1 0 229.245 3.518 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000019474973 176828864 /nfs/dbraw/zinc/82/88/64/176828864.db2.gz RNOPHNUYQPAWGK-QMMMGPOBSA-N 1 0 229.245 3.518 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019513537 170142060 /nfs/dbraw/zinc/14/20/60/170142060.db2.gz JQMRYCGUXHKWTC-NSHDSACASA-N 1 0 229.323 3.519 20 0 BHADRO CC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019513539 170159150 /nfs/dbraw/zinc/15/91/50/170159150.db2.gz JQMRYCGUXHKWTC-LLVKDONJSA-N 1 0 229.323 3.519 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)CC(C)(C)C1 ZINC000019803355 176377316 /nfs/dbraw/zinc/37/73/16/176377316.db2.gz YGZTYLAZLBCUIN-VXGBXAGGSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccco2)CC(C)(C)C1 ZINC000019803356 177333989 /nfs/dbraw/zinc/33/39/89/177333989.db2.gz YGZTYLAZLBCUIN-NWDGAFQWSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccco2)CC(C)(C)C1 ZINC000019803357 398135322 /nfs/dbraw/zinc/13/53/22/398135322.db2.gz YGZTYLAZLBCUIN-NEPJUHHUSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccco2)CC(C)(C)C1 ZINC000019803358 177370145 /nfs/dbraw/zinc/37/01/45/177370145.db2.gz YGZTYLAZLBCUIN-RYUDHWBXSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccco1 ZINC000019803359 342958844 /nfs/dbraw/zinc/95/88/44/342958844.db2.gz BVLDPTFCRYJEFD-VXGBXAGGSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccco1 ZINC000019803360 171296724 /nfs/dbraw/zinc/29/67/24/171296724.db2.gz BVLDPTFCRYJEFD-NWDGAFQWSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccco1 ZINC000019803361 384541097 /nfs/dbraw/zinc/54/10/97/384541097.db2.gz BVLDPTFCRYJEFD-NEPJUHHUSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccco1 ZINC000019803362 171299166 /nfs/dbraw/zinc/29/91/66/171299166.db2.gz BVLDPTFCRYJEFD-RYUDHWBXSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@@H]([NH3+])c1ccc(OCC2CCCCC2)cc1 ZINC000019805240 175817569 /nfs/dbraw/zinc/81/75/69/175817569.db2.gz YRGODURWLFHQTM-GFCCVEGCSA-N 1 0 233.355 3.665 20 0 BHADRO C[C@H]([NH3+])c1ccc(OCC2CCCCC2)cc1 ZINC000019805243 356695422 /nfs/dbraw/zinc/69/54/22/356695422.db2.gz YRGODURWLFHQTM-LBPRGKRZSA-N 1 0 233.355 3.665 20 0 BHADRO CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019807364 169256234 /nfs/dbraw/zinc/25/62/34/169256234.db2.gz KLIOSSADEPNPLG-UHFFFAOYSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000019807372 169267542 /nfs/dbraw/zinc/26/75/42/169267542.db2.gz ZBJPEVKAIMQHQN-UHFFFAOYSA-N 1 0 249.301 3.798 20 0 BHADRO CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019807376 169277521 /nfs/dbraw/zinc/27/75/21/169277521.db2.gz ACQDVKHUAHKXDO-LBPRGKRZSA-N 1 0 213.324 3.900 20 0 BHADRO CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019807377 169286854 /nfs/dbraw/zinc/28/68/54/169286854.db2.gz ACQDVKHUAHKXDO-GFCCVEGCSA-N 1 0 213.324 3.900 20 0 BHADRO CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000019807378 169256161 /nfs/dbraw/zinc/25/61/61/169256161.db2.gz UQOHWOUYWICROB-UHFFFAOYSA-N 1 0 223.319 3.756 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019807383 169280687 /nfs/dbraw/zinc/28/06/87/169280687.db2.gz UWRQDNDLQLCOEI-INIZCTEOSA-N 1 0 243.325 3.915 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019807384 169290919 /nfs/dbraw/zinc/29/09/19/169290919.db2.gz UWRQDNDLQLCOEI-MRXNPFEDSA-N 1 0 243.325 3.915 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019807385 169277403 /nfs/dbraw/zinc/27/74/03/169277403.db2.gz JUWVIZJXXRPBMC-VIFPVBQESA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000019807386 169286735 /nfs/dbraw/zinc/28/67/35/169286735.db2.gz JUWVIZJXXRPBMC-SECBINFHSA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019807387 169277025 /nfs/dbraw/zinc/27/70/25/169277025.db2.gz YYNHTIFQLIFNSP-LBPRGKRZSA-N 1 0 213.324 3.900 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019807388 169287073 /nfs/dbraw/zinc/28/70/73/169287073.db2.gz YYNHTIFQLIFNSP-GFCCVEGCSA-N 1 0 213.324 3.900 20 0 BHADRO CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019807391 169276603 /nfs/dbraw/zinc/27/66/03/169276603.db2.gz HBPQKWUCTSIFBY-VIFPVBQESA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019807392 169286712 /nfs/dbraw/zinc/28/67/12/169286712.db2.gz HBPQKWUCTSIFBY-SECBINFHSA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000019807404 169276857 /nfs/dbraw/zinc/27/68/57/169276857.db2.gz STQUXPSKRNMXRD-AWEZNQCLSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019807405 169288467 /nfs/dbraw/zinc/28/84/67/169288467.db2.gz STQUXPSKRNMXRD-CQSZACIVSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000019807434 169254083 /nfs/dbraw/zinc/25/40/83/169254083.db2.gz NRPLRSMUIHGFPI-UHFFFAOYSA-N 1 0 225.335 3.776 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019807447 169275923 /nfs/dbraw/zinc/27/59/23/169275923.db2.gz GEFOQRKYVVEKCB-VIFPVBQESA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019807448 169286805 /nfs/dbraw/zinc/28/68/05/169286805.db2.gz GEFOQRKYVVEKCB-SECBINFHSA-N 1 0 231.261 3.766 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019807449 169277284 /nfs/dbraw/zinc/27/72/84/169277284.db2.gz XLIZZQDRJUXCPR-LBPRGKRZSA-N 1 0 243.350 3.909 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019807450 169286977 /nfs/dbraw/zinc/28/69/77/169286977.db2.gz XLIZZQDRJUXCPR-GFCCVEGCSA-N 1 0 243.350 3.909 20 0 BHADRO CC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000019808004 170128449 /nfs/dbraw/zinc/12/84/49/170128449.db2.gz NQONQUOHBJCSCQ-UHFFFAOYSA-N 1 0 227.307 3.588 20 0 BHADRO CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000019808041 170141279 /nfs/dbraw/zinc/14/12/79/170141279.db2.gz XIRHEKDUUAHCAA-ZETCQYMHSA-N 1 0 218.127 3.664 20 0 BHADRO CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000019808042 170159153 /nfs/dbraw/zinc/15/91/53/170159153.db2.gz XIRHEKDUUAHCAA-SSDOTTSWSA-N 1 0 218.127 3.664 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019808051 170142196 /nfs/dbraw/zinc/14/21/96/170142196.db2.gz GVAJGPFYYKIIIP-NSHDSACASA-N 1 0 205.345 3.655 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019808053 170159565 /nfs/dbraw/zinc/15/95/65/170159565.db2.gz GVAJGPFYYKIIIP-LLVKDONJSA-N 1 0 205.345 3.655 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000019808059 170141614 /nfs/dbraw/zinc/14/16/14/170141614.db2.gz YVOMYQGBAQXPTP-LBPRGKRZSA-N 1 0 205.345 3.556 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000019808060 170159239 /nfs/dbraw/zinc/15/92/39/170159239.db2.gz YVOMYQGBAQXPTP-GFCCVEGCSA-N 1 0 205.345 3.556 20 0 BHADRO CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000019808061 170139440 /nfs/dbraw/zinc/13/94/40/170139440.db2.gz NMBNOWWYTFWENY-AWEZNQCLSA-N 1 0 239.362 3.817 20 0 BHADRO CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000019808063 170157070 /nfs/dbraw/zinc/15/70/70/170157070.db2.gz NMBNOWWYTFWENY-CQSZACIVSA-N 1 0 239.362 3.817 20 0 BHADRO CC[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000019808070 170142731 /nfs/dbraw/zinc/14/27/31/170142731.db2.gz RAWWDABDZJAJHV-JTQLQIEISA-N 1 0 217.312 3.666 20 0 BHADRO CC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000019808071 170160330 /nfs/dbraw/zinc/16/03/30/170160330.db2.gz RAWWDABDZJAJHV-SNVBAGLBSA-N 1 0 217.312 3.666 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019808087 170142267 /nfs/dbraw/zinc/14/22/67/170142267.db2.gz DWRLYZRSXYWOAK-ZETCQYMHSA-N 1 0 218.127 3.664 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019808088 170158940 /nfs/dbraw/zinc/15/89/40/170158940.db2.gz DWRLYZRSXYWOAK-SSDOTTSWSA-N 1 0 218.127 3.664 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019808147 169275925 /nfs/dbraw/zinc/27/59/25/169275925.db2.gz AUMNJRGDHJENAS-VIFPVBQESA-N 1 0 247.260 3.646 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019808148 169287223 /nfs/dbraw/zinc/28/72/23/169287223.db2.gz AUMNJRGDHJENAS-SECBINFHSA-N 1 0 247.260 3.646 20 0 BHADRO c1ccc(C[C@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000019809453 385088388 /nfs/dbraw/zinc/08/83/88/385088388.db2.gz WTVZFZXQTTXFMM-KRWDZBQOSA-N 1 0 237.346 3.722 20 0 BHADRO c1ccc(C[C@@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000019809454 183409561 /nfs/dbraw/zinc/40/95/61/183409561.db2.gz WTVZFZXQTTXFMM-QGZVFWFLSA-N 1 0 237.346 3.722 20 0 BHADRO c1ccc(-c2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000019811355 388748655 /nfs/dbraw/zinc/74/86/55/388748655.db2.gz NEDRMVIEJKIVCU-UHFFFAOYSA-N 1 0 235.330 3.730 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000019836349 342959029 /nfs/dbraw/zinc/95/90/29/342959029.db2.gz WVINLUWQDIMZAI-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO Cc1ccc(NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000019877362 347305226 /nfs/dbraw/zinc/30/52/26/347305226.db2.gz CEBJXSJMBMDMEX-UHFFFAOYSA-N 1 0 246.398 3.588 20 0 BHADRO CCC[NH+]1CCC(Nc2ccc(C)cc2C)CC1 ZINC000019877366 169189180 /nfs/dbraw/zinc/18/91/80/169189180.db2.gz BPLNAONKODOPMH-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000019878028 385162738 /nfs/dbraw/zinc/16/27/38/385162738.db2.gz DJMRKFYLAOTNPB-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000019878029 385161593 /nfs/dbraw/zinc/16/15/93/385161593.db2.gz DJMRKFYLAOTNPB-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000019878035 385162655 /nfs/dbraw/zinc/16/26/55/385162655.db2.gz JXEKUIWJCDNYGR-GFCCVEGCSA-N 1 0 229.298 3.677 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000019878038 385161635 /nfs/dbraw/zinc/16/16/35/385161635.db2.gz JXEKUIWJCDNYGR-LBPRGKRZSA-N 1 0 229.298 3.677 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000019878051 385161944 /nfs/dbraw/zinc/16/19/44/385161944.db2.gz UOWICZIKTADUSJ-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000019878052 176875207 /nfs/dbraw/zinc/87/52/07/176875207.db2.gz UOWICZIKTADUSJ-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000019878053 168163725 /nfs/dbraw/zinc/16/37/25/168163725.db2.gz BYNPDFQHZFVWSW-OWYJLGKBSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000019878054 168165140 /nfs/dbraw/zinc/16/51/40/168165140.db2.gz BYNPDFQHZFVWSW-JVWICGRDSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000019878073 347303948 /nfs/dbraw/zinc/30/39/48/347303948.db2.gz UBIBYOPVQZPBPZ-IPYPFGDCSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000019878075 176919407 /nfs/dbraw/zinc/91/94/07/176919407.db2.gz UBIBYOPVQZPBPZ-YDHLFZDLSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000019878077 385162998 /nfs/dbraw/zinc/16/29/98/385162998.db2.gz UBIBYOPVQZPBPZ-VNHYZAJKSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000019878078 385160293 /nfs/dbraw/zinc/16/02/93/385160293.db2.gz UBIBYOPVQZPBPZ-KCQAQPDRSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000019878080 176896232 /nfs/dbraw/zinc/89/62/32/176896232.db2.gz NTYIOQFVGVHCNG-VNHYZAJKSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000019878081 347303651 /nfs/dbraw/zinc/30/36/51/347303651.db2.gz NTYIOQFVGVHCNG-KCQAQPDRSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000019878083 347303512 /nfs/dbraw/zinc/30/35/12/347303512.db2.gz NTYIOQFVGVHCNG-IPYPFGDCSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000019878085 177137544 /nfs/dbraw/zinc/13/75/44/177137544.db2.gz NTYIOQFVGVHCNG-YDHLFZDLSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000019878348 342960783 /nfs/dbraw/zinc/96/07/83/342960783.db2.gz OHMWZHMQXKHZDA-NEPJUHHUSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000019878350 384548557 /nfs/dbraw/zinc/54/85/57/384548557.db2.gz OHMWZHMQXKHZDA-RYUDHWBXSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccco1 ZINC000019878352 342960785 /nfs/dbraw/zinc/96/07/85/342960785.db2.gz OHMWZHMQXKHZDA-VXGBXAGGSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000019878354 342960905 /nfs/dbraw/zinc/96/09/05/342960905.db2.gz OHMWZHMQXKHZDA-NWDGAFQWSA-N 1 0 215.296 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000019878380 384548088 /nfs/dbraw/zinc/54/80/88/384548088.db2.gz YDYDMDSHUFQSRH-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000019878382 384548667 /nfs/dbraw/zinc/54/86/67/384548667.db2.gz YDYDMDSHUFQSRH-STQMWFEESA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000019878384 384549582 /nfs/dbraw/zinc/54/95/82/384549582.db2.gz YDYDMDSHUFQSRH-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000019878386 384548222 /nfs/dbraw/zinc/54/82/22/384548222.db2.gz YDYDMDSHUFQSRH-QWHCGFSZSA-N 1 0 229.323 4.000 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878492 342960881 /nfs/dbraw/zinc/96/08/81/342960881.db2.gz BQFQIRIOPXMTEQ-OLZOCXBDSA-N 1 0 241.334 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878494 384550292 /nfs/dbraw/zinc/55/02/92/384550292.db2.gz BQFQIRIOPXMTEQ-STQMWFEESA-N 1 0 241.334 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878496 342960769 /nfs/dbraw/zinc/96/07/69/342960769.db2.gz BQFQIRIOPXMTEQ-CHWSQXEVSA-N 1 0 241.334 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cccc(O)c1 ZINC000019878498 342960720 /nfs/dbraw/zinc/96/07/20/342960720.db2.gz BQFQIRIOPXMTEQ-QWHCGFSZSA-N 1 0 241.334 3.804 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000019878915 385161784 /nfs/dbraw/zinc/16/17/84/385161784.db2.gz OYLAYPYCMMCSDN-RISCZKNCSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000019878918 177351321 /nfs/dbraw/zinc/35/13/21/177351321.db2.gz OYLAYPYCMMCSDN-FZMZJTMJSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000019878919 385160470 /nfs/dbraw/zinc/16/04/70/385160470.db2.gz OYLAYPYCMMCSDN-BXUZGUMPSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000019878921 385162840 /nfs/dbraw/zinc/16/28/40/385162840.db2.gz OYLAYPYCMMCSDN-SMDDNHRTSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C1CCCCC1 ZINC000019878933 347303543 /nfs/dbraw/zinc/30/35/43/347303543.db2.gz DLMNKUZSXJGHLE-AWEZNQCLSA-N 1 0 231.383 3.930 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C1CCCCC1 ZINC000019878934 176640301 /nfs/dbraw/zinc/64/03/01/176640301.db2.gz DLMNKUZSXJGHLE-CQSZACIVSA-N 1 0 231.383 3.930 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000019878943 385160368 /nfs/dbraw/zinc/16/03/68/385160368.db2.gz CHUYEJSYKTZTLV-CYBMUJFWSA-N 1 0 217.356 3.978 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000019878945 385161899 /nfs/dbraw/zinc/16/18/99/385161899.db2.gz CHUYEJSYKTZTLV-ZDUSSCGKSA-N 1 0 217.356 3.978 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000019878955 175344610 /nfs/dbraw/zinc/34/46/10/175344610.db2.gz PJSNYBFFYDCRPI-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C1CCCCC1 ZINC000019878958 175350844 /nfs/dbraw/zinc/35/08/44/175350844.db2.gz PJSNYBFFYDCRPI-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1c(F)cccc1F ZINC000019878980 385162425 /nfs/dbraw/zinc/16/24/25/385162425.db2.gz VJRVHCRFEZPASB-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1c(F)cccc1F ZINC000019878982 385161493 /nfs/dbraw/zinc/16/14/93/385161493.db2.gz VJRVHCRFEZPASB-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccccc1F ZINC000019879003 175860419 /nfs/dbraw/zinc/86/04/19/175860419.db2.gz GGKBJUHBHHEVDU-LLVKDONJSA-N 1 0 221.319 3.809 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccccc1F ZINC000019879005 385160891 /nfs/dbraw/zinc/16/08/91/385160891.db2.gz GGKBJUHBHHEVDU-NSHDSACASA-N 1 0 221.319 3.809 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000019879008 385162935 /nfs/dbraw/zinc/16/29/35/385162935.db2.gz DAHLAIMATKNDIC-LLVKDONJSA-N 1 0 221.319 3.809 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000019879009 385160931 /nfs/dbraw/zinc/16/09/31/385160931.db2.gz DAHLAIMATKNDIC-NSHDSACASA-N 1 0 221.319 3.809 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000019879023 342960940 /nfs/dbraw/zinc/96/09/40/342960940.db2.gz VJLZKVSDNDBKMS-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000019879025 175188367 /nfs/dbraw/zinc/18/83/67/175188367.db2.gz VJLZKVSDNDBKMS-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCCCC1 ZINC000019879027 538110791 /nfs/dbraw/zinc/11/07/91/538110791.db2.gz JZOIYJINIMRPCU-OAHLLOKOSA-N 1 0 215.340 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCCC1 ZINC000019879029 590026453 /nfs/dbraw/zinc/02/64/53/590026453.db2.gz JZOIYJINIMRPCU-HNNXBMFYSA-N 1 0 215.340 3.596 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2CCCCC2)c1 ZINC000019879035 175287108 /nfs/dbraw/zinc/28/71/08/175287108.db2.gz GZUQJYGEPMZZOM-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2CCCCC2)c1 ZINC000019879037 175292120 /nfs/dbraw/zinc/29/21/20/175292120.db2.gz GZUQJYGEPMZZOM-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCCCC1 ZINC000019879078 590026570 /nfs/dbraw/zinc/02/65/70/590026570.db2.gz SUKQYZLJCBASJV-ZDUSSCGKSA-N 1 0 247.382 3.636 20 0 BHADRO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCCCC1 ZINC000019879079 176639473 /nfs/dbraw/zinc/63/94/73/176639473.db2.gz SUKQYZLJCBASJV-CYBMUJFWSA-N 1 0 247.382 3.636 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000019879085 179319783 /nfs/dbraw/zinc/31/97/83/179319783.db2.gz RLTJFWSXMUFPQJ-CYBMUJFWSA-N 1 0 217.356 3.978 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1CCCCC1 ZINC000019879087 179337869 /nfs/dbraw/zinc/33/78/69/179337869.db2.gz RLTJFWSXMUFPQJ-ZDUSSCGKSA-N 1 0 217.356 3.978 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)c(F)c1 ZINC000019879097 385162460 /nfs/dbraw/zinc/16/24/60/385162460.db2.gz XTUOYMZOJWSGAZ-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc(F)c(F)c1 ZINC000019879099 385162559 /nfs/dbraw/zinc/16/25/59/385162559.db2.gz XTUOYMZOJWSGAZ-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1F ZINC000019879100 385162407 /nfs/dbraw/zinc/16/24/07/385162407.db2.gz MCFYJTQPAYOOHB-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1F ZINC000019879102 385162259 /nfs/dbraw/zinc/16/22/59/385162259.db2.gz MCFYJTQPAYOOHB-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cc(F)ccc1F ZINC000019879119 385162498 /nfs/dbraw/zinc/16/24/98/385162498.db2.gz QQSQKURXAIURAN-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cc(F)ccc1F ZINC000019879121 385162942 /nfs/dbraw/zinc/16/29/42/385162942.db2.gz QQSQKURXAIURAN-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000019879137 175078841 /nfs/dbraw/zinc/07/88/41/175078841.db2.gz JRNPSNDEEMZXFZ-CYBMUJFWSA-N 1 0 247.382 3.987 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCCCC1 ZINC000019879139 175080966 /nfs/dbraw/zinc/08/09/66/175080966.db2.gz JRNPSNDEEMZXFZ-ZDUSSCGKSA-N 1 0 247.382 3.987 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cccc(F)c1 ZINC000019879169 385162221 /nfs/dbraw/zinc/16/22/21/385162221.db2.gz IRABZIWQQCBJOP-LLVKDONJSA-N 1 0 221.319 3.809 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cccc(F)c1 ZINC000019879171 385161933 /nfs/dbraw/zinc/16/19/33/385161933.db2.gz IRABZIWQQCBJOP-NSHDSACASA-N 1 0 221.319 3.809 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019879719 168299218 /nfs/dbraw/zinc/29/92/18/168299218.db2.gz WLBKHAQPDHVQIM-UHFFFAOYSA-N 1 0 243.297 3.566 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019879720 168299694 /nfs/dbraw/zinc/29/96/94/168299694.db2.gz IWYKTBPPIZEYAY-UHFFFAOYSA-N 1 0 245.288 3.984 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019879770 168299331 /nfs/dbraw/zinc/29/93/31/168299331.db2.gz KFIPEVHHOPCULA-CMPLNLGQSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019879772 168299052 /nfs/dbraw/zinc/29/90/52/168299052.db2.gz KFIPEVHHOPCULA-JQWIXIFHSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019879773 168299500 /nfs/dbraw/zinc/29/95/00/168299500.db2.gz KFIPEVHHOPCULA-ZYHUDNBSSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000019879774 168299363 /nfs/dbraw/zinc/29/93/63/168299363.db2.gz KFIPEVHHOPCULA-PWSUYJOCSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019879776 168299213 /nfs/dbraw/zinc/29/92/13/168299213.db2.gz VJXKJLWFHHVSJK-UHFFFAOYSA-N 1 0 245.288 3.984 20 0 BHADRO CC(C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019880391 167095159 /nfs/dbraw/zinc/09/51/59/167095159.db2.gz WVOPEZTYOSRHOY-UHFFFAOYSA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000019880456 167118431 /nfs/dbraw/zinc/11/84/31/167118431.db2.gz DPJGQOAQZZNNDI-UHFFFAOYSA-N 1 0 249.301 3.797 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019880510 167132701 /nfs/dbraw/zinc/13/27/01/167132701.db2.gz JBXRACPHHNWKBE-LBPRGKRZSA-N 1 0 213.324 3.899 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019880511 167137862 /nfs/dbraw/zinc/13/78/62/167137862.db2.gz JBXRACPHHNWKBE-GFCCVEGCSA-N 1 0 213.324 3.899 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019880535 167134176 /nfs/dbraw/zinc/13/41/76/167134176.db2.gz BJPFJSZGLCJOJF-INIZCTEOSA-N 1 0 243.325 3.913 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019880536 167139850 /nfs/dbraw/zinc/13/98/50/167139850.db2.gz BJPFJSZGLCJOJF-MRXNPFEDSA-N 1 0 243.325 3.913 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019880546 167133214 /nfs/dbraw/zinc/13/32/14/167133214.db2.gz PHNFYVLLYAMJLH-VIFPVBQESA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000019880549 167138486 /nfs/dbraw/zinc/13/84/86/167138486.db2.gz PHNFYVLLYAMJLH-SECBINFHSA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019880568 167132984 /nfs/dbraw/zinc/13/29/84/167132984.db2.gz WFSOHTURXMKXPL-LBPRGKRZSA-N 1 0 213.324 3.899 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019880570 167138208 /nfs/dbraw/zinc/13/82/08/167138208.db2.gz WFSOHTURXMKXPL-GFCCVEGCSA-N 1 0 213.324 3.899 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019880623 167132405 /nfs/dbraw/zinc/13/24/05/167132405.db2.gz WCMCZWLVSANTKQ-VIFPVBQESA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019880625 167138698 /nfs/dbraw/zinc/13/86/98/167138698.db2.gz WCMCZWLVSANTKQ-SECBINFHSA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)C[C@@H]([NH2+]C(C)C)c1ccccc1 ZINC000019880714 187330392 /nfs/dbraw/zinc/33/03/92/187330392.db2.gz HZNANVYIQOHOCC-CQSZACIVSA-N 1 0 205.345 3.772 20 0 BHADRO CC(C)C[C@H]([NH2+]C(C)C)c1ccccc1 ZINC000019880717 188004223 /nfs/dbraw/zinc/00/42/23/188004223.db2.gz HZNANVYIQOHOCC-AWEZNQCLSA-N 1 0 205.345 3.772 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019881055 167132345 /nfs/dbraw/zinc/13/23/45/167132345.db2.gz RYCIGOVFFGCHOJ-VIFPVBQESA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019881058 167138677 /nfs/dbraw/zinc/13/86/77/167138677.db2.gz RYCIGOVFFGCHOJ-SECBINFHSA-N 1 0 231.261 3.764 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019881077 167132226 /nfs/dbraw/zinc/13/22/26/167132226.db2.gz PVDRIPKUAFZRNJ-VIFPVBQESA-N 1 0 247.260 3.644 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019881079 167138463 /nfs/dbraw/zinc/13/84/63/167138463.db2.gz PVDRIPKUAFZRNJ-SECBINFHSA-N 1 0 247.260 3.644 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000019881808 347304488 /nfs/dbraw/zinc/30/44/88/347304488.db2.gz XMXRZMZXFQNVNG-GFCCVEGCSA-N 1 0 213.324 3.728 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000019881811 171343389 /nfs/dbraw/zinc/34/33/89/171343389.db2.gz XMXRZMZXFQNVNG-LBPRGKRZSA-N 1 0 213.324 3.728 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000019881818 590030934 /nfs/dbraw/zinc/03/09/34/590030934.db2.gz RWEWYVBQGCYVND-GFCCVEGCSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000019881821 171343111 /nfs/dbraw/zinc/34/31/11/171343111.db2.gz RWEWYVBQGCYVND-LBPRGKRZSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000019881968 356991637 /nfs/dbraw/zinc/99/16/37/356991637.db2.gz GPGCJAQJNROZQJ-IUODEOHRSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000019881970 171347506 /nfs/dbraw/zinc/34/75/06/171347506.db2.gz GPGCJAQJNROZQJ-SWLSCSKDSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000019881972 356991600 /nfs/dbraw/zinc/99/16/00/356991600.db2.gz GPGCJAQJNROZQJ-DOMZBBRYSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000019881974 171348523 /nfs/dbraw/zinc/34/85/23/171348523.db2.gz GPGCJAQJNROZQJ-WFASDCNBSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000019882086 342961258 /nfs/dbraw/zinc/96/12/58/342961258.db2.gz HFDBKJKXGWRWIU-CJNGLKHVSA-N 1 0 240.350 3.559 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000019882089 171345720 /nfs/dbraw/zinc/34/57/20/171345720.db2.gz HFDBKJKXGWRWIU-BBRMVZONSA-N 1 0 240.350 3.559 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000019882092 342961343 /nfs/dbraw/zinc/96/13/43/342961343.db2.gz HFDBKJKXGWRWIU-CZUORRHYSA-N 1 0 240.350 3.559 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000019882094 171348891 /nfs/dbraw/zinc/34/88/91/171348891.db2.gz HFDBKJKXGWRWIU-XJKSGUPXSA-N 1 0 240.350 3.559 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019882368 170755874 /nfs/dbraw/zinc/75/58/74/170755874.db2.gz VGNNHKCZMXVCQB-ZJUUUORDSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019882371 171345914 /nfs/dbraw/zinc/34/59/14/171345914.db2.gz VGNNHKCZMXVCQB-UWVGGRQHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000019882374 347304379 /nfs/dbraw/zinc/30/43/79/347304379.db2.gz VGNNHKCZMXVCQB-NXEZZACHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000019882377 171348305 /nfs/dbraw/zinc/34/83/05/171348305.db2.gz VGNNHKCZMXVCQB-VHSXEESVSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000019882467 347375380 /nfs/dbraw/zinc/37/53/80/347375380.db2.gz ARDSXIFBCKVZHR-ZYHUDNBSSA-N 1 0 221.369 3.612 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000019882470 171347532 /nfs/dbraw/zinc/34/75/32/171347532.db2.gz ARDSXIFBCKVZHR-CMPLNLGQSA-N 1 0 221.369 3.612 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000019882473 170759362 /nfs/dbraw/zinc/75/93/62/170759362.db2.gz ARDSXIFBCKVZHR-PWSUYJOCSA-N 1 0 221.369 3.612 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000019882476 171348801 /nfs/dbraw/zinc/34/88/01/171348801.db2.gz ARDSXIFBCKVZHR-JQWIXIFHSA-N 1 0 221.369 3.612 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019882557 347304408 /nfs/dbraw/zinc/30/44/08/347304408.db2.gz YBKCAKUGNSAESV-OLZOCXBDSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019882559 171346380 /nfs/dbraw/zinc/34/63/80/171346380.db2.gz YBKCAKUGNSAESV-STQMWFEESA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000019882561 347375542 /nfs/dbraw/zinc/37/55/42/347375542.db2.gz YBKCAKUGNSAESV-CHWSQXEVSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000019882563 171347738 /nfs/dbraw/zinc/34/77/38/171347738.db2.gz YBKCAKUGNSAESV-QWHCGFSZSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019882607 356991574 /nfs/dbraw/zinc/99/15/74/356991574.db2.gz JDVANLYGNYJXGY-RISCZKNCSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019882608 171346486 /nfs/dbraw/zinc/34/64/86/171346486.db2.gz JDVANLYGNYJXGY-FZMZJTMJSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019882610 356991590 /nfs/dbraw/zinc/99/15/90/356991590.db2.gz JDVANLYGNYJXGY-BXUZGUMPSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(OC)cc1 ZINC000019882612 171348317 /nfs/dbraw/zinc/34/83/17/171348317.db2.gz JDVANLYGNYJXGY-SMDDNHRTSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019882668 342961123 /nfs/dbraw/zinc/96/11/23/342961123.db2.gz AZBVGVJISLMYES-DOMZBBRYSA-N 1 0 229.323 3.757 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019882669 171346459 /nfs/dbraw/zinc/34/64/59/171346459.db2.gz AZBVGVJISLMYES-WFASDCNBSA-N 1 0 229.323 3.757 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019882671 342961351 /nfs/dbraw/zinc/96/13/51/342961351.db2.gz AZBVGVJISLMYES-IUODEOHRSA-N 1 0 229.323 3.757 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019882673 171348817 /nfs/dbraw/zinc/34/88/17/171348817.db2.gz AZBVGVJISLMYES-SWLSCSKDSA-N 1 0 229.323 3.757 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019882675 170755832 /nfs/dbraw/zinc/75/58/32/170755832.db2.gz BHKOSPGJHLIUEH-ZJUUUORDSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019882677 171346081 /nfs/dbraw/zinc/34/60/81/171346081.db2.gz BHKOSPGJHLIUEH-UWVGGRQHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019882680 590031777 /nfs/dbraw/zinc/03/17/77/590031777.db2.gz BHKOSPGJHLIUEH-NXEZZACHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019882682 171348332 /nfs/dbraw/zinc/34/83/32/171348332.db2.gz BHKOSPGJHLIUEH-VHSXEESVSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019882817 347304666 /nfs/dbraw/zinc/30/46/66/347304666.db2.gz QHCHHTBZCFMXFD-MNOVXSKESA-N 1 0 217.312 3.882 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019882819 171346299 /nfs/dbraw/zinc/34/62/99/171346299.db2.gz QHCHHTBZCFMXFD-QWRGUYRKSA-N 1 0 217.312 3.882 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019882821 347304504 /nfs/dbraw/zinc/30/45/04/347304504.db2.gz QHCHHTBZCFMXFD-GHMZBOCLSA-N 1 0 217.312 3.882 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019882823 171348256 /nfs/dbraw/zinc/34/82/56/171348256.db2.gz QHCHHTBZCFMXFD-WDEREUQCSA-N 1 0 217.312 3.882 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000019882901 342961119 /nfs/dbraw/zinc/96/11/19/342961119.db2.gz RRFFHXMPKRHPRZ-MNOVXSKESA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000019882902 171345878 /nfs/dbraw/zinc/34/58/78/171345878.db2.gz RRFFHXMPKRHPRZ-QWRGUYRKSA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000019882904 342961337 /nfs/dbraw/zinc/96/13/37/342961337.db2.gz RRFFHXMPKRHPRZ-GHMZBOCLSA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000019882906 171348239 /nfs/dbraw/zinc/34/82/39/171348239.db2.gz RRFFHXMPKRHPRZ-WDEREUQCSA-N 1 0 223.385 3.858 20 0 BHADRO CC(C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000019882912 167010346 /nfs/dbraw/zinc/01/03/46/167010346.db2.gz DKOXLPYUFHFMQH-UHFFFAOYSA-N 1 0 213.324 3.585 20 0 BHADRO COc1ccc2cc(C[NH2+]CC(C)C)ccc2c1 ZINC000019882916 175224639 /nfs/dbraw/zinc/22/46/39/175224639.db2.gz PCGFZMRCYGKUNZ-UHFFFAOYSA-N 1 0 243.350 3.594 20 0 BHADRO CC(C)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019882947 167003537 /nfs/dbraw/zinc/00/35/37/167003537.db2.gz SLYMIFAHPZHTBH-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000019882988 167011962 /nfs/dbraw/zinc/01/19/62/167011962.db2.gz MMHVOYNPOJUESI-OAHLLOKOSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000019882990 167015679 /nfs/dbraw/zinc/01/56/79/167015679.db2.gz MMHVOYNPOJUESI-HNNXBMFYSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019883120 167011584 /nfs/dbraw/zinc/01/15/84/167011584.db2.gz ZXPAUMNQTARNBF-JTQLQIEISA-N 1 0 243.297 3.595 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000019883121 167013858 /nfs/dbraw/zinc/01/38/58/167013858.db2.gz ZXPAUMNQTARNBF-SNVBAGLBSA-N 1 0 243.297 3.595 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC(C)C)c1 ZINC000019883161 347375551 /nfs/dbraw/zinc/37/55/51/347375551.db2.gz IEDRCIZUPOJIFQ-ZDUSSCGKSA-N 1 0 205.345 3.610 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)C)c1 ZINC000019883162 178494411 /nfs/dbraw/zinc/49/44/11/178494411.db2.gz IEDRCIZUPOJIFQ-CYBMUJFWSA-N 1 0 205.345 3.610 20 0 BHADRO CC(C)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019883209 167012078 /nfs/dbraw/zinc/01/20/78/167012078.db2.gz YRHRRTVQOGIFLF-HNNXBMFYSA-N 1 0 229.323 3.615 20 0 BHADRO CC(C)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019883210 167013964 /nfs/dbraw/zinc/01/39/64/167013964.db2.gz YRHRRTVQOGIFLF-OAHLLOKOSA-N 1 0 229.323 3.615 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019883211 167011748 /nfs/dbraw/zinc/01/17/48/167011748.db2.gz PGWLLHMAQUYDIG-JTQLQIEISA-N 1 0 234.368 3.603 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019883212 167013708 /nfs/dbraw/zinc/01/37/08/167013708.db2.gz PGWLLHMAQUYDIG-SNVBAGLBSA-N 1 0 234.368 3.603 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019883266 188111031 /nfs/dbraw/zinc/11/10/31/188111031.db2.gz XDWKTQRERFMVBV-NSHDSACASA-N 1 0 217.312 3.739 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019883267 167013304 /nfs/dbraw/zinc/01/33/04/167013304.db2.gz XDWKTQRERFMVBV-LLVKDONJSA-N 1 0 217.312 3.739 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)C)c1ccccc1 ZINC000019883294 169399842 /nfs/dbraw/zinc/39/98/42/169399842.db2.gz PQWMIUUQRMKRED-CQSZACIVSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[C@H]([NH2+]CC(C)C)c1ccccc1 ZINC000019883295 350819886 /nfs/dbraw/zinc/81/98/86/350819886.db2.gz PQWMIUUQRMKRED-AWEZNQCLSA-N 1 0 205.345 3.773 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000019883302 384549949 /nfs/dbraw/zinc/54/99/49/384549949.db2.gz MIAMHPTURJQQBG-LLVKDONJSA-N 1 0 223.385 3.715 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000019883304 342961139 /nfs/dbraw/zinc/96/11/39/342961139.db2.gz MIAMHPTURJQQBG-NSHDSACASA-N 1 0 223.385 3.715 20 0 BHADRO c1ccc2cc(C[NH2+]C3CCCC3)ccc2c1 ZINC000019883308 385162688 /nfs/dbraw/zinc/16/26/88/385162688.db2.gz GTHSVNIWMNAFQN-UHFFFAOYSA-N 1 0 225.335 3.872 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCCC2)c(C)c1 ZINC000019883327 385163015 /nfs/dbraw/zinc/16/30/15/385163015.db2.gz YFHBJJNCGSHLLY-UHFFFAOYSA-N 1 0 217.356 3.644 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C1CCCC1 ZINC000019883384 175685479 /nfs/dbraw/zinc/68/54/79/175685479.db2.gz NYXMMKZOYBBRJE-ZDUSSCGKSA-N 1 0 217.356 3.540 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C1CCCC1 ZINC000019883386 176640423 /nfs/dbraw/zinc/64/04/23/176640423.db2.gz NYXMMKZOYBBRJE-CYBMUJFWSA-N 1 0 217.356 3.540 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccccc1Cl ZINC000019883408 411067973 /nfs/dbraw/zinc/06/79/73/411067973.db2.gz DMLHQQNQJLIHIO-SNVBAGLBSA-N 1 0 223.747 3.933 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccccc1Cl ZINC000019883409 411067097 /nfs/dbraw/zinc/06/70/97/411067097.db2.gz DMLHQQNQJLIHIO-JTQLQIEISA-N 1 0 223.747 3.933 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1c(F)cccc1F ZINC000019883432 385161188 /nfs/dbraw/zinc/16/11/88/385161188.db2.gz QFVLRQXPQUVBMA-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1c(F)cccc1F ZINC000019883434 385162918 /nfs/dbraw/zinc/16/29/18/385162918.db2.gz QFVLRQXPQUVBMA-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000019883499 487489313 /nfs/dbraw/zinc/48/93/13/487489313.db2.gz HLJOAOYNLNWWLS-CQSZACIVSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000019883500 487489346 /nfs/dbraw/zinc/48/93/46/487489346.db2.gz HLJOAOYNLNWWLS-AWEZNQCLSA-N 1 0 221.319 3.809 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883522 538929312 /nfs/dbraw/zinc/92/93/12/538929312.db2.gz LUFUWFJWSWNXOQ-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883523 538928955 /nfs/dbraw/zinc/92/89/55/538928955.db2.gz LUFUWFJWSWNXOQ-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCCC1 ZINC000019883534 384548284 /nfs/dbraw/zinc/54/82/84/384548284.db2.gz KJENSQGVWICDQL-CYBMUJFWSA-N 1 0 233.380 3.756 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCCC1 ZINC000019883536 384549431 /nfs/dbraw/zinc/54/94/31/384549431.db2.gz KJENSQGVWICDQL-ZDUSSCGKSA-N 1 0 233.380 3.756 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1 ZINC000019883556 590032611 /nfs/dbraw/zinc/03/26/11/590032611.db2.gz XYRJNLAUWADYCU-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1 ZINC000019883558 590032382 /nfs/dbraw/zinc/03/23/82/590032382.db2.gz XYRJNLAUWADYCU-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000019883560 385263626 /nfs/dbraw/zinc/26/36/26/385263626.db2.gz YMMZXTMLRJUWGV-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000019883562 385263524 /nfs/dbraw/zinc/26/35/24/385263524.db2.gz YMMZXTMLRJUWGV-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccc(C)cc1 ZINC000019883568 385162617 /nfs/dbraw/zinc/16/26/17/385162617.db2.gz VNMVMCZARCBRHX-OAHLLOKOSA-N 1 0 217.356 3.978 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccc(C)cc1 ZINC000019883569 347304626 /nfs/dbraw/zinc/30/46/26/347304626.db2.gz VNMVMCZARCBRHX-HNNXBMFYSA-N 1 0 217.356 3.978 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccc(OC)cc1 ZINC000019883570 590032635 /nfs/dbraw/zinc/03/26/35/590032635.db2.gz MGECKDBXZLOOSU-OAHLLOKOSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccc(OC)cc1 ZINC000019883571 590032584 /nfs/dbraw/zinc/03/25/84/590032584.db2.gz MGECKDBXZLOOSU-HNNXBMFYSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000019883573 170597508 /nfs/dbraw/zinc/59/75/08/170597508.db2.gz IMBKEEVVDXOEPL-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C1CCCC1 ZINC000019883574 347304679 /nfs/dbraw/zinc/30/46/79/347304679.db2.gz IMBKEEVVDXOEPL-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cc(F)ccc1F ZINC000019883588 385160745 /nfs/dbraw/zinc/16/07/45/385160745.db2.gz QXWOHFJEUFGAAE-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cc(F)ccc1F ZINC000019883589 385162509 /nfs/dbraw/zinc/16/25/09/385162509.db2.gz QXWOHFJEUFGAAE-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO c1coc([C@@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000019883594 386788194 /nfs/dbraw/zinc/78/81/94/386788194.db2.gz HDAAMZSHISJLGZ-INIZCTEOSA-N 1 0 241.334 3.901 20 0 BHADRO c1coc([C@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000019883595 386788162 /nfs/dbraw/zinc/78/81/62/386788162.db2.gz HDAAMZSHISJLGZ-MRXNPFEDSA-N 1 0 241.334 3.901 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1nc2ccccc2s1 ZINC000019883596 590033037 /nfs/dbraw/zinc/03/30/37/590033037.db2.gz PCJPGDJXJGYTDX-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1nc2ccccc2s1 ZINC000019883597 590032874 /nfs/dbraw/zinc/03/28/74/590032874.db2.gz PCJPGDJXJGYTDX-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCCC1 ZINC000019883603 175079484 /nfs/dbraw/zinc/07/94/84/175079484.db2.gz CILIIWLCRMZBCA-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCCC1 ZINC000019883604 175081127 /nfs/dbraw/zinc/08/11/27/175081127.db2.gz CILIIWLCRMZBCA-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000019883653 175207956 /nfs/dbraw/zinc/20/79/56/175207956.db2.gz ZFKDJBHIDCVRNZ-INIZCTEOSA-N 1 0 245.366 3.605 20 0 BHADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000019883654 175207933 /nfs/dbraw/zinc/20/79/33/175207933.db2.gz ZFKDJBHIDCVRNZ-MRXNPFEDSA-N 1 0 245.366 3.605 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000019883692 183441464 /nfs/dbraw/zinc/44/14/64/183441464.db2.gz HILFYEDPBMLBOS-OAHLLOKOSA-N 1 0 215.340 3.596 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000019883694 590033220 /nfs/dbraw/zinc/03/32/20/590033220.db2.gz HILFYEDPBMLBOS-HNNXBMFYSA-N 1 0 215.340 3.596 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019883730 168389886 /nfs/dbraw/zinc/38/98/86/168389886.db2.gz OYOCKJJADIKSDD-UHFFFAOYSA-N 1 0 243.297 3.566 20 0 BHADRO CCC(CC)[NH2+]Cc1ccccc1C(F)(F)F ZINC000019883732 168390177 /nfs/dbraw/zinc/39/01/77/168390177.db2.gz QDVUDRNODMVGSB-UHFFFAOYSA-N 1 0 245.288 3.984 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019883805 259384566 /nfs/dbraw/zinc/38/45/66/259384566.db2.gz FLQJPWSZRTUEOU-GXFFZTMASA-N 1 0 221.344 3.681 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019883807 259384612 /nfs/dbraw/zinc/38/46/12/259384612.db2.gz FLQJPWSZRTUEOU-GWCFXTLKSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019883809 259384402 /nfs/dbraw/zinc/38/44/02/259384402.db2.gz FLQJPWSZRTUEOU-ZWNOBZJWSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000019883811 259384563 /nfs/dbraw/zinc/38/45/63/259384563.db2.gz FLQJPWSZRTUEOU-MFKMUULPSA-N 1 0 221.344 3.681 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019883813 168389830 /nfs/dbraw/zinc/38/98/30/168389830.db2.gz PPDPHWBIMOXNDC-UHFFFAOYSA-N 1 0 245.288 3.984 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000019883822 168391760 /nfs/dbraw/zinc/39/17/60/168391760.db2.gz RQSPXKHFNCCRRU-ZDUSSCGKSA-N 1 0 219.372 3.786 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCc1ccccc1 ZINC000019883824 168392659 /nfs/dbraw/zinc/39/26/59/168392659.db2.gz RQSPXKHFNCCRRU-CYBMUJFWSA-N 1 0 219.372 3.786 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000019883850 168391116 /nfs/dbraw/zinc/39/11/16/168391116.db2.gz NAYRPKCKLXAIPG-NSHDSACASA-N 1 0 221.344 3.534 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccccc1OC ZINC000019883852 168392480 /nfs/dbraw/zinc/39/24/80/168392480.db2.gz NAYRPKCKLXAIPG-LLVKDONJSA-N 1 0 221.344 3.534 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000019883865 168391932 /nfs/dbraw/zinc/39/19/32/168391932.db2.gz QDRSRLPUJDSBIP-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1c(F)cccc1F ZINC000019883867 168392753 /nfs/dbraw/zinc/39/27/53/168392753.db2.gz QDRSRLPUJDSBIP-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccccc1F ZINC000019883885 168391177 /nfs/dbraw/zinc/39/11/77/168391177.db2.gz DGNYHBUYFNJKAO-JTQLQIEISA-N 1 0 209.308 3.665 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccccc1F ZINC000019883886 168392465 /nfs/dbraw/zinc/39/24/65/168392465.db2.gz DGNYHBUYFNJKAO-SNVBAGLBSA-N 1 0 209.308 3.665 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019883891 168391451 /nfs/dbraw/zinc/39/14/51/168391451.db2.gz KFFLVGDQVHMEEE-JTQLQIEISA-N 1 0 209.308 3.665 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019883892 168392395 /nfs/dbraw/zinc/39/23/95/168392395.db2.gz KFFLVGDQVHMEEE-SNVBAGLBSA-N 1 0 209.308 3.665 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019883911 168391665 /nfs/dbraw/zinc/39/16/65/168391665.db2.gz UIEAEMXNVVPKDC-NSHDSACASA-N 1 0 221.344 3.534 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019883912 168392760 /nfs/dbraw/zinc/39/27/60/168392760.db2.gz UIEAEMXNVVPKDC-LLVKDONJSA-N 1 0 221.344 3.534 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019883921 168390925 /nfs/dbraw/zinc/39/09/25/168390925.db2.gz SINNSMKXSYPQJX-NSHDSACASA-N 1 0 221.344 3.534 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019883922 168393102 /nfs/dbraw/zinc/39/31/02/168393102.db2.gz SINNSMKXSYPQJX-LLVKDONJSA-N 1 0 221.344 3.534 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C(CC)CC)cc1 ZINC000019883955 170557884 /nfs/dbraw/zinc/55/78/84/170557884.db2.gz PBIQIVKFZYFPLC-GFCCVEGCSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C(CC)CC)cc1 ZINC000019883956 170562095 /nfs/dbraw/zinc/56/20/95/170562095.db2.gz PBIQIVKFZYFPLC-LBPRGKRZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019883979 168390931 /nfs/dbraw/zinc/39/09/31/168390931.db2.gz SSZUZTPOEWTFMZ-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019883981 168392498 /nfs/dbraw/zinc/39/24/98/168392498.db2.gz SSZUZTPOEWTFMZ-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019883982 168391811 /nfs/dbraw/zinc/39/18/11/168391811.db2.gz XOEIISACBZUXPR-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019883984 168392210 /nfs/dbraw/zinc/39/22/10/168392210.db2.gz XOEIISACBZUXPR-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019883990 168390777 /nfs/dbraw/zinc/39/07/77/168390777.db2.gz PKNGYABNEHZCOB-HNNXBMFYSA-N 1 0 235.371 3.925 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019883992 168392763 /nfs/dbraw/zinc/39/27/63/168392763.db2.gz PKNGYABNEHZCOB-OAHLLOKOSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C(CC)CC ZINC000019883994 170597687 /nfs/dbraw/zinc/59/76/87/170597687.db2.gz HMHOQYYDRLWWDY-GFCCVEGCSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C(CC)CC ZINC000019883996 347304492 /nfs/dbraw/zinc/30/44/92/347304492.db2.gz HMHOQYYDRLWWDY-LBPRGKRZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019884006 168391216 /nfs/dbraw/zinc/39/12/16/168391216.db2.gz FSDGOKXWVJBXAQ-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019884007 168393104 /nfs/dbraw/zinc/39/31/04/168393104.db2.gz FSDGOKXWVJBXAQ-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019884021 168391709 /nfs/dbraw/zinc/39/17/09/168391709.db2.gz UVZKHUQHMZGUCU-LBPRGKRZSA-N 1 0 235.371 3.843 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019884023 168392806 /nfs/dbraw/zinc/39/28/06/168392806.db2.gz UVZKHUQHMZGUCU-GFCCVEGCSA-N 1 0 235.371 3.843 20 0 BHADRO CCC(CC)[NH2+]Cc1ccccc1OC(F)F ZINC000019884059 168389922 /nfs/dbraw/zinc/38/99/22/168389922.db2.gz TULHLFKWGQKMSE-UHFFFAOYSA-N 1 0 243.297 3.566 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019884070 168390840 /nfs/dbraw/zinc/39/08/40/168390840.db2.gz ZTMIFOBAPWKNOE-MRXNPFEDSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000019884071 168392524 /nfs/dbraw/zinc/39/25/24/168392524.db2.gz ZTMIFOBAPWKNOE-INIZCTEOSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019884085 168390716 /nfs/dbraw/zinc/39/07/16/168390716.db2.gz MLKDMRARCZCZOO-JTQLQIEISA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019884087 168392493 /nfs/dbraw/zinc/39/24/93/168392493.db2.gz MLKDMRARCZCZOO-SNVBAGLBSA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2ccccc21 ZINC000019884089 168391549 /nfs/dbraw/zinc/39/15/49/168391549.db2.gz ZNDGNJOMUFZDAC-OAHLLOKOSA-N 1 0 217.356 3.842 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2ccccc21 ZINC000019884090 168392646 /nfs/dbraw/zinc/39/26/46/168392646.db2.gz ZNDGNJOMUFZDAC-HNNXBMFYSA-N 1 0 217.356 3.842 20 0 BHADRO c1ccc(-c2ccc(C[NH2+]CC3CC3)cc2)cc1 ZINC000019884626 183379339 /nfs/dbraw/zinc/37/93/39/183379339.db2.gz XEFRGOOBHNXHRO-UHFFFAOYSA-N 1 0 237.346 3.853 20 0 BHADRO CC(C)(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000019884655 343774106 /nfs/dbraw/zinc/77/41/06/343774106.db2.gz BBIFWGIBYOYSHE-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO c1ccc(C2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000019884657 183390263 /nfs/dbraw/zinc/39/02/63/183390263.db2.gz BRBRGMQMKRQTMD-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 ZINC000019884670 187659060 /nfs/dbraw/zinc/65/90/60/187659060.db2.gz XUJSTKJCVBHVNP-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 ZINC000019884672 411067886 /nfs/dbraw/zinc/06/78/86/411067886.db2.gz XUJSTKJCVBHVNP-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC000019884674 187314987 /nfs/dbraw/zinc/31/49/87/187314987.db2.gz XUJSTKJCVBHVNP-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC000019884676 188173964 /nfs/dbraw/zinc/17/39/64/188173964.db2.gz XUJSTKJCVBHVNP-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cccc2ccccc21 ZINC000019884763 590032912 /nfs/dbraw/zinc/03/29/12/590032912.db2.gz XRPCNTCQJWCQKI-GFCCVEGCSA-N 1 0 225.335 3.900 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cccc2ccccc21 ZINC000019884764 176838615 /nfs/dbraw/zinc/83/86/15/176838615.db2.gz XRPCNTCQJWCQKI-LBPRGKRZSA-N 1 0 225.335 3.900 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[NH2+]CC1CC1 ZINC000019884765 183440774 /nfs/dbraw/zinc/44/07/74/183440774.db2.gz FOSUQSURPAQCBP-UHFFFAOYSA-N 1 0 235.330 3.756 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccccc1C(F)(F)F ZINC000019884798 175869787 /nfs/dbraw/zinc/86/97/87/175869787.db2.gz WKEPGGHXZUYUBH-SECBINFHSA-N 1 0 243.272 3.766 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccccc1C(F)(F)F ZINC000019884800 385169945 /nfs/dbraw/zinc/16/99/45/385169945.db2.gz WKEPGGHXZUYUBH-VIFPVBQESA-N 1 0 243.272 3.766 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc2ccccc2c1 ZINC000019884814 590033224 /nfs/dbraw/zinc/03/32/24/590033224.db2.gz CQIWECWVYSLLOP-GFCCVEGCSA-N 1 0 225.335 3.900 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc2ccccc2c1 ZINC000019884815 176838616 /nfs/dbraw/zinc/83/86/16/176838616.db2.gz CQIWECWVYSLLOP-LBPRGKRZSA-N 1 0 225.335 3.900 20 0 BHADRO CC[C@@H]([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000019884839 384553434 /nfs/dbraw/zinc/55/34/34/384553434.db2.gz UQNSLJXBVZTYPV-CYBMUJFWSA-N 1 0 223.747 3.791 20 0 BHADRO CC[C@H]([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000019884840 342961487 /nfs/dbraw/zinc/96/14/87/342961487.db2.gz UQNSLJXBVZTYPV-ZDUSSCGKSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000019884854 590033454 /nfs/dbraw/zinc/03/34/54/590033454.db2.gz OGHYHCPLSPBKQC-SECBINFHSA-N 1 0 243.272 3.766 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000019884855 590033420 /nfs/dbraw/zinc/03/34/20/590033420.db2.gz OGHYHCPLSPBKQC-VIFPVBQESA-N 1 0 243.272 3.766 20 0 BHADRO CC[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000019884866 384553595 /nfs/dbraw/zinc/55/35/95/384553595.db2.gz CPVBTLZFGLODTN-CYBMUJFWSA-N 1 0 223.747 3.791 20 0 BHADRO CC[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000019884867 342961692 /nfs/dbraw/zinc/96/16/92/342961692.db2.gz CPVBTLZFGLODTN-ZDUSSCGKSA-N 1 0 223.747 3.791 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000019884897 188370097 /nfs/dbraw/zinc/37/00/97/188370097.db2.gz NSPSCORCTDLOCM-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000019884899 386596535 /nfs/dbraw/zinc/59/65/35/386596535.db2.gz NSPSCORCTDLOCM-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000019884973 169320609 /nfs/dbraw/zinc/32/06/09/169320609.db2.gz VMWFBPKIEKUUJS-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000019884974 169321331 /nfs/dbraw/zinc/32/13/31/169321331.db2.gz VMWFBPKIEKUUJS-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000019884975 167299236 /nfs/dbraw/zinc/29/92/36/167299236.db2.gz VJDRJKLVAOLGBX-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000019884976 167301452 /nfs/dbraw/zinc/30/14/52/167301452.db2.gz VJDRJKLVAOLGBX-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000019884989 342961562 /nfs/dbraw/zinc/96/15/62/342961562.db2.gz UOBLMXVBCUFPTR-GFCCVEGCSA-N 1 0 217.356 3.700 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000019884991 347305859 /nfs/dbraw/zinc/30/58/59/347305859.db2.gz UOBLMXVBCUFPTR-LBPRGKRZSA-N 1 0 217.356 3.700 20 0 BHADRO c1ccc(C([NH2+]CC2CC2)c2ccccc2)cc1 ZINC000019885069 183388118 /nfs/dbraw/zinc/38/81/18/183388118.db2.gz KJARKQVADVRSPF-UHFFFAOYSA-N 1 0 237.346 3.776 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000019885089 347306219 /nfs/dbraw/zinc/30/62/19/347306219.db2.gz DGUFTIHYGLYACV-GFCCVEGCSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000019885091 347306341 /nfs/dbraw/zinc/30/63/41/347306341.db2.gz DGUFTIHYGLYACV-LBPRGKRZSA-N 1 0 217.356 3.871 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000019885114 590033349 /nfs/dbraw/zinc/03/33/49/590033349.db2.gz QSEIPIMEMAKUBC-SECBINFHSA-N 1 0 243.272 3.766 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000019885116 386788039 /nfs/dbraw/zinc/78/80/39/386788039.db2.gz QSEIPIMEMAKUBC-VIFPVBQESA-N 1 0 243.272 3.766 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000019885126 386595293 /nfs/dbraw/zinc/59/52/93/386595293.db2.gz OUTUQIHYLBMYKC-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CCC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000019885127 347375227 /nfs/dbraw/zinc/37/52/27/347375227.db2.gz OUTUQIHYLBMYKC-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2)c(C)c1 ZINC000019885996 633804593 /nfs/dbraw/zinc/80/45/93/633804593.db2.gz BPOGRSUNQZMCIZ-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019899482 356991762 /nfs/dbraw/zinc/99/17/62/356991762.db2.gz HMZTYIVARCVLPW-MRXNPFEDSA-N 1 0 225.335 3.928 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019899483 356991696 /nfs/dbraw/zinc/99/16/96/356991696.db2.gz HMZTYIVARCVLPW-INIZCTEOSA-N 1 0 225.335 3.928 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000019899488 175344181 /nfs/dbraw/zinc/34/41/81/175344181.db2.gz CEOSXFUWKWRLEP-CYBMUJFWSA-N 1 0 241.334 3.546 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000019899489 175351513 /nfs/dbraw/zinc/35/15/13/175351513.db2.gz CEOSXFUWKWRLEP-ZDUSSCGKSA-N 1 0 241.334 3.546 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1F ZINC000019899509 347311484 /nfs/dbraw/zinc/31/14/84/347311484.db2.gz VLSSKTPJGBYLRU-GFCCVEGCSA-N 1 0 229.298 3.677 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccccc1F ZINC000019899510 385187526 /nfs/dbraw/zinc/18/75/26/385187526.db2.gz VLSSKTPJGBYLRU-LBPRGKRZSA-N 1 0 229.298 3.677 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000019899571 179321607 /nfs/dbraw/zinc/32/16/07/179321607.db2.gz JGTVADONOONXEO-CQSZACIVSA-N 1 0 225.335 3.846 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000019899572 179338164 /nfs/dbraw/zinc/33/81/64/179338164.db2.gz JGTVADONOONXEO-AWEZNQCLSA-N 1 0 225.335 3.846 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000019899587 347311744 /nfs/dbraw/zinc/31/17/44/347311744.db2.gz QCLHOJZBNTUXRF-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000019899588 385191958 /nfs/dbraw/zinc/19/19/58/385191958.db2.gz QCLHOJZBNTUXRF-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1F ZINC000019899589 347311893 /nfs/dbraw/zinc/31/18/93/347311893.db2.gz SEGPRRCBENODEH-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1F ZINC000019899590 385191324 /nfs/dbraw/zinc/19/13/24/385191324.db2.gz SEGPRRCBENODEH-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1F ZINC000019899608 347311403 /nfs/dbraw/zinc/31/14/03/347311403.db2.gz BSHDVOAZUJOQBC-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1F ZINC000019899609 385190597 /nfs/dbraw/zinc/19/05/97/385190597.db2.gz BSHDVOAZUJOQBC-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1cccc(F)c1 ZINC000019899647 347311863 /nfs/dbraw/zinc/31/18/63/347311863.db2.gz UVHSHXXOMLGZPJ-GFCCVEGCSA-N 1 0 229.298 3.677 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1cccc(F)c1 ZINC000019899648 385192198 /nfs/dbraw/zinc/19/21/98/385192198.db2.gz UVHSHXXOMLGZPJ-LBPRGKRZSA-N 1 0 229.298 3.677 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccccc1 ZINC000019899651 347311718 /nfs/dbraw/zinc/31/17/18/347311718.db2.gz FTRKNCXWLBJFMC-UHFFFAOYSA-N 1 0 205.345 3.745 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000019899652 385191530 /nfs/dbraw/zinc/19/15/30/385191530.db2.gz KZCXOVKSEAXMPM-CYBMUJFWSA-N 1 0 205.345 3.601 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1 ZINC000019899653 347311797 /nfs/dbraw/zinc/31/17/97/347311797.db2.gz KZCXOVKSEAXMPM-ZDUSSCGKSA-N 1 0 205.345 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2)s1 ZINC000019899665 384551850 /nfs/dbraw/zinc/55/18/50/384551850.db2.gz SJPWLKKHHGTOSJ-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)s1 ZINC000019899666 384552752 /nfs/dbraw/zinc/55/27/52/384552752.db2.gz SJPWLKKHHGTOSJ-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000019901154 385186905 /nfs/dbraw/zinc/18/69/05/385186905.db2.gz WGUISIDAAVSYRW-OAHLLOKOSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000019901155 347311109 /nfs/dbraw/zinc/31/11/09/347311109.db2.gz WGUISIDAAVSYRW-HNNXBMFYSA-N 1 0 242.451 3.520 20 0 BHADRO CCCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019901233 356485846 /nfs/dbraw/zinc/48/58/46/356485846.db2.gz HVGJKBJAKWYVTO-UHFFFAOYSA-N 1 0 243.297 3.568 20 0 BHADRO CCCCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019901278 517553969 /nfs/dbraw/zinc/55/39/69/517553969.db2.gz JXJQRWWXALHWOH-WCQYABFASA-N 1 0 221.344 3.683 20 0 BHADRO CCCCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019901280 347310880 /nfs/dbraw/zinc/31/08/80/347310880.db2.gz JXJQRWWXALHWOH-AAEUAGOBSA-N 1 0 221.344 3.683 20 0 BHADRO CCCCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019901282 347310664 /nfs/dbraw/zinc/31/06/64/347310664.db2.gz JXJQRWWXALHWOH-DGCLKSJQSA-N 1 0 221.344 3.683 20 0 BHADRO CCCCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000019901284 259385289 /nfs/dbraw/zinc/38/52/89/259385289.db2.gz JXJQRWWXALHWOH-YPMHNXCESA-N 1 0 221.344 3.683 20 0 BHADRO CCCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000019901297 347311104 /nfs/dbraw/zinc/31/11/04/347311104.db2.gz KDDDDMICUAJGPR-AWEZNQCLSA-N 1 0 219.372 3.788 20 0 BHADRO CCCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000019901299 347311113 /nfs/dbraw/zinc/31/11/13/347311113.db2.gz KDDDDMICUAJGPR-CQSZACIVSA-N 1 0 219.372 3.788 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000019901313 347376868 /nfs/dbraw/zinc/37/68/68/347376868.db2.gz YLWMAQZFYIIOTA-ZDUSSCGKSA-N 1 0 205.345 3.836 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000019901315 168721037 /nfs/dbraw/zinc/72/10/37/168721037.db2.gz YLWMAQZFYIIOTA-CYBMUJFWSA-N 1 0 205.345 3.836 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000019901325 168720164 /nfs/dbraw/zinc/72/01/64/168720164.db2.gz KCVHMDZOSRYBNK-LBPRGKRZSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccccc1OC ZINC000019901326 347311076 /nfs/dbraw/zinc/31/10/76/347311076.db2.gz KCVHMDZOSRYBNK-GFCCVEGCSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000019901338 347311072 /nfs/dbraw/zinc/31/10/72/347311072.db2.gz GZYRTYXMTZDLPK-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000019901340 347311064 /nfs/dbraw/zinc/31/10/64/347311064.db2.gz GZYRTYXMTZDLPK-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccccc1F ZINC000019901353 347376801 /nfs/dbraw/zinc/37/68/01/347376801.db2.gz UZTJXJNXTZSTOW-NSHDSACASA-N 1 0 209.308 3.667 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccccc1F ZINC000019901355 347377034 /nfs/dbraw/zinc/37/70/34/347377034.db2.gz UZTJXJNXTZSTOW-LLVKDONJSA-N 1 0 209.308 3.667 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019901360 347311138 /nfs/dbraw/zinc/31/11/38/347311138.db2.gz UUWZZZOUKGRVIG-NSHDSACASA-N 1 0 209.308 3.667 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019901362 347376739 /nfs/dbraw/zinc/37/67/39/347376739.db2.gz UUWZZZOUKGRVIG-LLVKDONJSA-N 1 0 209.308 3.667 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019901383 342961979 /nfs/dbraw/zinc/96/19/79/342961979.db2.gz GNEPPDCQQGHHKO-LBPRGKRZSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019901384 168721447 /nfs/dbraw/zinc/72/14/47/168721447.db2.gz GNEPPDCQQGHHKO-GFCCVEGCSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019901389 342962208 /nfs/dbraw/zinc/96/22/08/342962208.db2.gz PMJPUSYXQICMFA-LBPRGKRZSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019901390 347311130 /nfs/dbraw/zinc/31/11/30/347311130.db2.gz PMJPUSYXQICMFA-GFCCVEGCSA-N 1 0 221.344 3.536 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019901424 347311106 /nfs/dbraw/zinc/31/11/06/347311106.db2.gz SODLZEUGWFGLHS-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019901425 347310829 /nfs/dbraw/zinc/31/08/29/347310829.db2.gz SODLZEUGWFGLHS-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019901446 347310740 /nfs/dbraw/zinc/31/07/40/347310740.db2.gz VWBPSZLWAFHJPS-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019901448 347311551 /nfs/dbraw/zinc/31/15/51/347311551.db2.gz VWBPSZLWAFHJPS-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019901450 347311749 /nfs/dbraw/zinc/31/17/49/347311749.db2.gz OUZQADMHCIRBJD-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019901452 347311888 /nfs/dbraw/zinc/31/18/88/347311888.db2.gz OUZQADMHCIRBJD-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019901460 347311598 /nfs/dbraw/zinc/31/15/98/347311598.db2.gz ZIPQYWDKNGVZFS-HNNXBMFYSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019901462 347311423 /nfs/dbraw/zinc/31/14/23/347311423.db2.gz ZIPQYWDKNGVZFS-OAHLLOKOSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000019901464 168720030 /nfs/dbraw/zinc/72/00/30/168720030.db2.gz MZRLIEQEZVDBFM-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccccc1OCC ZINC000019901466 347311503 /nfs/dbraw/zinc/31/15/03/347311503.db2.gz MZRLIEQEZVDBFM-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019901472 347311602 /nfs/dbraw/zinc/31/16/02/347311602.db2.gz KXLVBLDMLYPDBL-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019901474 347311834 /nfs/dbraw/zinc/31/18/34/347311834.db2.gz KXLVBLDMLYPDBL-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019901485 347311693 /nfs/dbraw/zinc/31/16/93/347311693.db2.gz IQTDGUCTVXBUPE-ZDUSSCGKSA-N 1 0 235.371 3.844 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019901486 347311721 /nfs/dbraw/zinc/31/17/21/347311721.db2.gz IQTDGUCTVXBUPE-CYBMUJFWSA-N 1 0 235.371 3.844 20 0 BHADRO CCCCC[NH2+]Cc1ccccc1OC(F)F ZINC000019901511 356485924 /nfs/dbraw/zinc/48/59/24/356485924.db2.gz JCVIEWPRPOYGES-UHFFFAOYSA-N 1 0 243.297 3.568 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019901540 342962094 /nfs/dbraw/zinc/96/20/94/342962094.db2.gz JPKRPGBHAMKQFY-NSHDSACASA-N 1 0 239.334 3.675 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019901542 342961952 /nfs/dbraw/zinc/96/19/52/342961952.db2.gz JPKRPGBHAMKQFY-LLVKDONJSA-N 1 0 239.334 3.675 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000019902477 169370957 /nfs/dbraw/zinc/37/09/57/169370957.db2.gz CWOTVCVZLKEHAC-CYBMUJFWSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000019902478 385361975 /nfs/dbraw/zinc/36/19/75/385361975.db2.gz CWOTVCVZLKEHAC-ZDUSSCGKSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019902519 169370518 /nfs/dbraw/zinc/37/05/18/169370518.db2.gz GRAFWVFUHOWKBM-SNVBAGLBSA-N 1 0 243.297 3.566 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019902521 169493691 /nfs/dbraw/zinc/49/36/91/169493691.db2.gz GRAFWVFUHOWKBM-JTQLQIEISA-N 1 0 243.297 3.566 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000019902523 169370516 /nfs/dbraw/zinc/37/05/16/169370516.db2.gz RFAFJPGJCRWFSJ-SNVBAGLBSA-N 1 0 245.288 3.984 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000019902525 169493896 /nfs/dbraw/zinc/49/38/96/169493896.db2.gz RFAFJPGJCRWFSJ-JTQLQIEISA-N 1 0 245.288 3.984 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC000019902556 169370191 /nfs/dbraw/zinc/37/01/91/169370191.db2.gz COGNMMAOBZMARQ-GFCCVEGCSA-N 1 0 205.345 3.527 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC000019902558 388751468 /nfs/dbraw/zinc/75/14/68/388751468.db2.gz COGNMMAOBZMARQ-LBPRGKRZSA-N 1 0 205.345 3.527 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019902650 357120080 /nfs/dbraw/zinc/12/00/80/357120080.db2.gz CBJANFNHGUWHQQ-GMXVVIOVSA-N 1 0 221.344 3.681 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019902652 357120063 /nfs/dbraw/zinc/12/00/63/357120063.db2.gz CBJANFNHGUWHQQ-GVXVVHGQSA-N 1 0 221.344 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019902653 169370421 /nfs/dbraw/zinc/37/04/21/169370421.db2.gz XNDFLOCPVBOAHH-SNVBAGLBSA-N 1 0 245.288 3.984 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019902654 385187303 /nfs/dbraw/zinc/18/73/03/385187303.db2.gz XNDFLOCPVBOAHH-JTQLQIEISA-N 1 0 245.288 3.984 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000019902667 169370372 /nfs/dbraw/zinc/37/03/72/169370372.db2.gz RRZOHBKMKZOZIS-KGLIPLIRSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000019902668 385186757 /nfs/dbraw/zinc/18/67/57/385186757.db2.gz RRZOHBKMKZOZIS-KBPBESRZSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000019902669 169371717 /nfs/dbraw/zinc/37/17/17/169371717.db2.gz RRZOHBKMKZOZIS-ZIAGYGMSSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000019902671 385187267 /nfs/dbraw/zinc/18/72/67/385187267.db2.gz RRZOHBKMKZOZIS-UONOGXRCSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000019902687 169370727 /nfs/dbraw/zinc/37/07/27/169370727.db2.gz BEDHEHMCQZXSJT-OLZOCXBDSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000019902689 385362856 /nfs/dbraw/zinc/36/28/56/385362856.db2.gz BEDHEHMCQZXSJT-STQMWFEESA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000019902691 169371295 /nfs/dbraw/zinc/37/12/95/169371295.db2.gz BEDHEHMCQZXSJT-CHWSQXEVSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000019902692 385188536 /nfs/dbraw/zinc/18/85/36/385188536.db2.gz BEDHEHMCQZXSJT-QWHCGFSZSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000019902694 169370820 /nfs/dbraw/zinc/37/08/20/169370820.db2.gz YBZFAGRQKPGGEG-OCCSQVGLSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000019902696 398172111 /nfs/dbraw/zinc/17/21/11/398172111.db2.gz YBZFAGRQKPGGEG-JSGCOSHPSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000019902698 169371198 /nfs/dbraw/zinc/37/11/98/169371198.db2.gz YBZFAGRQKPGGEG-TZMCWYRMSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000019902700 384554508 /nfs/dbraw/zinc/55/45/08/384554508.db2.gz YBZFAGRQKPGGEG-GXTWGEPZSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000019902725 169370503 /nfs/dbraw/zinc/37/05/03/169370503.db2.gz XOBRMMPAJSDRTI-NEPJUHHUSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000019902727 385189015 /nfs/dbraw/zinc/18/90/15/385189015.db2.gz XOBRMMPAJSDRTI-RYUDHWBXSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000019902729 169371665 /nfs/dbraw/zinc/37/16/65/169371665.db2.gz XOBRMMPAJSDRTI-VXGBXAGGSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000019902731 169494083 /nfs/dbraw/zinc/49/40/83/169494083.db2.gz XOBRMMPAJSDRTI-NWDGAFQWSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000019902759 169370741 /nfs/dbraw/zinc/37/07/41/169370741.db2.gz AQWZQMSFGCCSLB-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000019902760 385188938 /nfs/dbraw/zinc/18/89/38/385188938.db2.gz AQWZQMSFGCCSLB-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000019902761 169371180 /nfs/dbraw/zinc/37/11/80/169371180.db2.gz AQWZQMSFGCCSLB-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000019902763 385187379 /nfs/dbraw/zinc/18/73/79/385187379.db2.gz AQWZQMSFGCCSLB-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000019902795 169370578 /nfs/dbraw/zinc/37/05/78/169370578.db2.gz PEKDKXBQPYVRIK-MNOVXSKESA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000019902797 169493638 /nfs/dbraw/zinc/49/36/38/169493638.db2.gz PEKDKXBQPYVRIK-QWRGUYRKSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000019902799 169371809 /nfs/dbraw/zinc/37/18/09/169371809.db2.gz PEKDKXBQPYVRIK-GHMZBOCLSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000019902801 538929347 /nfs/dbraw/zinc/92/93/47/538929347.db2.gz PEKDKXBQPYVRIK-WDEREUQCSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019902811 169370866 /nfs/dbraw/zinc/37/08/66/169370866.db2.gz ABWIJERZYSFWAX-MNOVXSKESA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019902813 538929216 /nfs/dbraw/zinc/92/92/16/538929216.db2.gz ABWIJERZYSFWAX-QWRGUYRKSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019902814 169371719 /nfs/dbraw/zinc/37/17/19/169371719.db2.gz ABWIJERZYSFWAX-GHMZBOCLSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019902815 538929185 /nfs/dbraw/zinc/92/91/85/538929185.db2.gz ABWIJERZYSFWAX-WDEREUQCSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019902848 169370611 /nfs/dbraw/zinc/37/06/11/169370611.db2.gz JCUKFICYRGBQNR-NEPJUHHUSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019902850 385187707 /nfs/dbraw/zinc/18/77/07/385187707.db2.gz JCUKFICYRGBQNR-RYUDHWBXSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019902852 169371586 /nfs/dbraw/zinc/37/15/86/169371586.db2.gz JCUKFICYRGBQNR-VXGBXAGGSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019902854 385188712 /nfs/dbraw/zinc/18/87/12/385188712.db2.gz JCUKFICYRGBQNR-NWDGAFQWSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019902870 169371026 /nfs/dbraw/zinc/37/10/26/169371026.db2.gz SMCKCMIOFHIJIM-NEPJUHHUSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019902871 385188851 /nfs/dbraw/zinc/18/88/51/385188851.db2.gz SMCKCMIOFHIJIM-RYUDHWBXSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019902873 169371175 /nfs/dbraw/zinc/37/11/75/169371175.db2.gz SMCKCMIOFHIJIM-VXGBXAGGSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019902874 169494353 /nfs/dbraw/zinc/49/43/53/169494353.db2.gz SMCKCMIOFHIJIM-NWDGAFQWSA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019902931 169370379 /nfs/dbraw/zinc/37/03/79/169370379.db2.gz PPEALMLLDLTKMP-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019902932 169493841 /nfs/dbraw/zinc/49/38/41/169493841.db2.gz PPEALMLLDLTKMP-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019902933 169371342 /nfs/dbraw/zinc/37/13/42/169371342.db2.gz PPEALMLLDLTKMP-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019902934 538929342 /nfs/dbraw/zinc/92/93/42/538929342.db2.gz PPEALMLLDLTKMP-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000019902953 169370318 /nfs/dbraw/zinc/37/03/18/169370318.db2.gz GRYBGICCRFLBTA-OLZOCXBDSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000019902954 385363314 /nfs/dbraw/zinc/36/33/14/385363314.db2.gz GRYBGICCRFLBTA-STQMWFEESA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000019902955 169371166 /nfs/dbraw/zinc/37/11/66/169371166.db2.gz GRYBGICCRFLBTA-CHWSQXEVSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000019902956 385363474 /nfs/dbraw/zinc/36/34/74/385363474.db2.gz GRYBGICCRFLBTA-QWHCGFSZSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019902965 169370434 /nfs/dbraw/zinc/37/04/34/169370434.db2.gz TYKPMVGNWPHUKU-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019902966 169493831 /nfs/dbraw/zinc/49/38/31/169493831.db2.gz TYKPMVGNWPHUKU-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019902967 169371473 /nfs/dbraw/zinc/37/14/73/169371473.db2.gz TYKPMVGNWPHUKU-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019902968 169494292 /nfs/dbraw/zinc/49/42/92/169494292.db2.gz TYKPMVGNWPHUKU-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019902969 169370285 /nfs/dbraw/zinc/37/02/85/169370285.db2.gz HAVCFVYYSAYNHI-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019902970 385188629 /nfs/dbraw/zinc/18/86/29/385188629.db2.gz HAVCFVYYSAYNHI-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019902971 169371191 /nfs/dbraw/zinc/37/11/91/169371191.db2.gz HAVCFVYYSAYNHI-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019902972 385188797 /nfs/dbraw/zinc/18/87/97/385188797.db2.gz HAVCFVYYSAYNHI-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019902979 169371012 /nfs/dbraw/zinc/37/10/12/169371012.db2.gz REUWLIIEOSGWQZ-DOMZBBRYSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019902980 398172288 /nfs/dbraw/zinc/17/22/88/398172288.db2.gz REUWLIIEOSGWQZ-WFASDCNBSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019902981 169371580 /nfs/dbraw/zinc/37/15/80/169371580.db2.gz REUWLIIEOSGWQZ-IUODEOHRSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019902982 169494080 /nfs/dbraw/zinc/49/40/80/169494080.db2.gz REUWLIIEOSGWQZ-SWLSCSKDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000019902983 169370510 /nfs/dbraw/zinc/37/05/10/169370510.db2.gz RZVAEMFUDJYNEZ-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000019902984 385188998 /nfs/dbraw/zinc/18/89/98/385188998.db2.gz RZVAEMFUDJYNEZ-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000019902985 169371880 /nfs/dbraw/zinc/37/18/80/169371880.db2.gz RZVAEMFUDJYNEZ-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000019902986 385187368 /nfs/dbraw/zinc/18/73/68/385187368.db2.gz RZVAEMFUDJYNEZ-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019902999 169370846 /nfs/dbraw/zinc/37/08/46/169370846.db2.gz MBQNIAHTOOFWIK-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019903000 169493820 /nfs/dbraw/zinc/49/38/20/169493820.db2.gz MBQNIAHTOOFWIK-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019903001 169371743 /nfs/dbraw/zinc/37/17/43/169371743.db2.gz MBQNIAHTOOFWIK-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019903002 538929398 /nfs/dbraw/zinc/92/93/98/538929398.db2.gz MBQNIAHTOOFWIK-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019903019 169370916 /nfs/dbraw/zinc/37/09/16/169370916.db2.gz DGVKWCVQXPCYRH-OLZOCXBDSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019903020 385187035 /nfs/dbraw/zinc/18/70/35/385187035.db2.gz DGVKWCVQXPCYRH-STQMWFEESA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019903021 169371615 /nfs/dbraw/zinc/37/16/15/169371615.db2.gz DGVKWCVQXPCYRH-CHWSQXEVSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019903022 385187196 /nfs/dbraw/zinc/18/71/96/385187196.db2.gz DGVKWCVQXPCYRH-QWHCGFSZSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000019903049 169370326 /nfs/dbraw/zinc/37/03/26/169370326.db2.gz XXUWFQPHPKSEOY-SNVBAGLBSA-N 1 0 211.736 3.618 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000019903050 385363116 /nfs/dbraw/zinc/36/31/16/385363116.db2.gz XXUWFQPHPKSEOY-JTQLQIEISA-N 1 0 211.736 3.618 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019903067 169370411 /nfs/dbraw/zinc/37/04/11/169370411.db2.gz NTGSQKASEQXTFO-MNOVXSKESA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019903068 169493732 /nfs/dbraw/zinc/49/37/32/169493732.db2.gz NTGSQKASEQXTFO-QWRGUYRKSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000019903069 169371583 /nfs/dbraw/zinc/37/15/83/169371583.db2.gz NTGSQKASEQXTFO-GHMZBOCLSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000019903070 538929396 /nfs/dbraw/zinc/92/93/96/538929396.db2.gz NTGSQKASEQXTFO-WDEREUQCSA-N 1 0 209.308 3.665 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000019903073 169370951 /nfs/dbraw/zinc/37/09/51/169370951.db2.gz ZCXRBECBMIOSHA-SNVBAGLBSA-N 1 0 243.297 3.566 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000019903074 385187648 /nfs/dbraw/zinc/18/76/48/385187648.db2.gz ZCXRBECBMIOSHA-JTQLQIEISA-N 1 0 243.297 3.566 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019903087 169371194 /nfs/dbraw/zinc/37/11/94/169371194.db2.gz PIONMPXHLYWAOV-MLGOLLRUSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019903088 169493704 /nfs/dbraw/zinc/49/37/04/169493704.db2.gz PIONMPXHLYWAOV-BLLLJJGKSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000019903089 169371306 /nfs/dbraw/zinc/37/13/06/169371306.db2.gz PIONMPXHLYWAOV-WBMJQRKESA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000019903090 538929243 /nfs/dbraw/zinc/92/92/43/538929243.db2.gz PIONMPXHLYWAOV-LRDDRELGSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019903092 169370403 /nfs/dbraw/zinc/37/04/03/169370403.db2.gz JCECUIKFLSTBGP-KOLCDFICSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019903093 538929381 /nfs/dbraw/zinc/92/93/81/538929381.db2.gz JCECUIKFLSTBGP-ONGXEEELSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000019903094 169371363 /nfs/dbraw/zinc/37/13/63/169371363.db2.gz JCECUIKFLSTBGP-MWLCHTKSSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000019903095 538928933 /nfs/dbraw/zinc/92/89/33/538928933.db2.gz JCECUIKFLSTBGP-GXSJLCMTSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019903106 169370322 /nfs/dbraw/zinc/37/03/22/169370322.db2.gz RIBJBCKHTYDFBR-MNOVXSKESA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019903107 169493900 /nfs/dbraw/zinc/49/39/00/169493900.db2.gz RIBJBCKHTYDFBR-QWRGUYRKSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019903108 169371340 /nfs/dbraw/zinc/37/13/40/169371340.db2.gz RIBJBCKHTYDFBR-GHMZBOCLSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019903109 169494235 /nfs/dbraw/zinc/49/42/35/169494235.db2.gz RIBJBCKHTYDFBR-WDEREUQCSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000019903110 169371824 /nfs/dbraw/zinc/37/18/24/169371824.db2.gz MJCRQNMWSNLMHS-IUODEOHRSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000019903111 398172601 /nfs/dbraw/zinc/17/26/01/398172601.db2.gz MJCRQNMWSNLMHS-SWLSCSKDSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000019903112 169371788 /nfs/dbraw/zinc/37/17/88/169371788.db2.gz MJCRQNMWSNLMHS-DOMZBBRYSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000019903113 386676826 /nfs/dbraw/zinc/67/68/26/386676826.db2.gz MJCRQNMWSNLMHS-WFASDCNBSA-N 1 0 217.356 3.842 20 0 BHADRO COc1ccccc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019903136 175329313 /nfs/dbraw/zinc/32/93/13/175329313.db2.gz MVNBBNFQTBQXJA-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000019903138 175329437 /nfs/dbraw/zinc/32/94/37/175329437.db2.gz MVNBBNFQTBQXJA-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccccc1OC ZINC000019903289 168583038 /nfs/dbraw/zinc/58/30/38/168583038.db2.gz YDDIFVFKWZXMBM-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@@H](C)CCC(C)C ZINC000019903290 175330312 /nfs/dbraw/zinc/33/03/12/175330312.db2.gz IDFRMUMJUSZGHD-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@H](C)CCC(C)C ZINC000019903291 175329788 /nfs/dbraw/zinc/32/97/88/175329788.db2.gz IDFRMUMJUSZGHD-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000019904018 168163205 /nfs/dbraw/zinc/16/32/05/168163205.db2.gz LYOCJIXJDIMYKF-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO Fc1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000019904019 347311756 /nfs/dbraw/zinc/31/17/56/347311756.db2.gz IYYVLYQEFZOQGT-UHFFFAOYSA-N 1 0 235.346 3.681 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019904027 176080699 /nfs/dbraw/zinc/08/06/99/176080699.db2.gz LNRKWLGZSOWXRU-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019904028 177083012 /nfs/dbraw/zinc/08/30/12/177083012.db2.gz LNRKWLGZSOWXRU-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019904029 176088422 /nfs/dbraw/zinc/08/84/22/176088422.db2.gz LNRKWLGZSOWXRU-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019904030 177088643 /nfs/dbraw/zinc/08/86/43/177088643.db2.gz LNRKWLGZSOWXRU-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000019904031 176123162 /nfs/dbraw/zinc/12/31/62/176123162.db2.gz HOADSXBCBFWYGN-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000019904032 177123092 /nfs/dbraw/zinc/12/30/92/177123092.db2.gz HOADSXBCBFWYGN-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000019904033 176142875 /nfs/dbraw/zinc/14/28/75/176142875.db2.gz HOADSXBCBFWYGN-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000019904034 177137261 /nfs/dbraw/zinc/13/72/61/177137261.db2.gz HOADSXBCBFWYGN-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000019904053 385190777 /nfs/dbraw/zinc/19/07/77/385190777.db2.gz KYTJOIFBAQKYMT-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000019904054 385191142 /nfs/dbraw/zinc/19/11/42/385191142.db2.gz KYTJOIFBAQKYMT-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cccs1 ZINC000019904075 385191038 /nfs/dbraw/zinc/19/10/38/385191038.db2.gz XEBLVSYEZCNBJW-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(F)cc1)c1cccs1 ZINC000019904076 176853343 /nfs/dbraw/zinc/85/33/43/176853343.db2.gz XEBLVSYEZCNBJW-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)o1 ZINC000019904098 385185406 /nfs/dbraw/zinc/18/54/06/385185406.db2.gz DXJHVYUUCBZWSD-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)o1 ZINC000019904099 385185519 /nfs/dbraw/zinc/18/55/19/385185519.db2.gz DXJHVYUUCBZWSD-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CCC(C)(C)C1CCC([NH2+][C@@H](C)COC)CC1 ZINC000019904379 168270444 /nfs/dbraw/zinc/27/04/44/168270444.db2.gz IQCGCMMIVBJKHT-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)C1CCC([NH2+][C@H](C)COC)CC1 ZINC000019904380 168270865 /nfs/dbraw/zinc/27/08/65/168270865.db2.gz IQCGCMMIVBJKHT-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019904528 384553921 /nfs/dbraw/zinc/55/39/21/384553921.db2.gz IDOCPFYIJROQGQ-OLZOCXBDSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019904529 342962353 /nfs/dbraw/zinc/96/23/53/342962353.db2.gz IDOCPFYIJROQGQ-STQMWFEESA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019904530 384553979 /nfs/dbraw/zinc/55/39/79/384553979.db2.gz IDOCPFYIJROQGQ-CHWSQXEVSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019904531 174552160 /nfs/dbraw/zinc/55/21/60/174552160.db2.gz IDOCPFYIJROQGQ-QWHCGFSZSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019904635 174459574 /nfs/dbraw/zinc/45/95/74/174459574.db2.gz CEECCCGNKNWTJZ-OLZOCXBDSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019904637 342962597 /nfs/dbraw/zinc/96/25/97/342962597.db2.gz CEECCCGNKNWTJZ-STQMWFEESA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019904639 384554202 /nfs/dbraw/zinc/55/42/02/384554202.db2.gz CEECCCGNKNWTJZ-CHWSQXEVSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019904641 342962596 /nfs/dbraw/zinc/96/25/96/342962596.db2.gz CEECCCGNKNWTJZ-QWHCGFSZSA-N 1 0 243.350 3.525 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019904798 174459749 /nfs/dbraw/zinc/45/97/49/174459749.db2.gz HHDIPZOKGAALCW-OLZOCXBDSA-N 1 0 249.398 3.670 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019904801 385196307 /nfs/dbraw/zinc/19/63/07/385196307.db2.gz HHDIPZOKGAALCW-CHWSQXEVSA-N 1 0 249.398 3.670 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000019904851 385196098 /nfs/dbraw/zinc/19/60/98/385196098.db2.gz FLKQEIJIGMIVJU-KGLIPLIRSA-N 1 0 249.398 3.571 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000019904853 174460560 /nfs/dbraw/zinc/46/05/60/174460560.db2.gz FLKQEIJIGMIVJU-ZIAGYGMSSA-N 1 0 249.398 3.571 20 0 BHADRO FC(F)(F)c1cccc(C[NH2+]C2CCCC2)c1 ZINC000019906687 642332396 /nfs/dbraw/zinc/33/23/96/642332396.db2.gz GBMABDVJRNCRTM-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CC(C)CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906700 385195069 /nfs/dbraw/zinc/19/50/69/385195069.db2.gz DXZIADOOFSTHLJ-UHFFFAOYSA-N 1 0 245.288 3.841 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906724 168389347 /nfs/dbraw/zinc/38/93/47/168389347.db2.gz RCUFHHXZCDJQAQ-UHFFFAOYSA-N 1 0 245.288 3.984 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000019906727 356486256 /nfs/dbraw/zinc/48/62/56/356486256.db2.gz LZAXBADJMRQJDW-SECBINFHSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000019906728 176875940 /nfs/dbraw/zinc/87/59/40/176875940.db2.gz LZAXBADJMRQJDW-VIFPVBQESA-N 1 0 243.272 3.594 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906736 167381371 /nfs/dbraw/zinc/38/13/71/167381371.db2.gz YTZQPZJPVYEFGK-SNVBAGLBSA-N 1 0 245.288 3.840 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906737 347314498 /nfs/dbraw/zinc/31/44/98/347314498.db2.gz YTZQPZJPVYEFGK-JTQLQIEISA-N 1 0 245.288 3.840 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906754 169370659 /nfs/dbraw/zinc/37/06/59/169370659.db2.gz JJMGVRUYDCEVGG-SNVBAGLBSA-N 1 0 245.288 3.984 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906755 385194088 /nfs/dbraw/zinc/19/40/88/385194088.db2.gz JJMGVRUYDCEVGG-JTQLQIEISA-N 1 0 245.288 3.984 20 0 BHADRO CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000019906903 168871622 /nfs/dbraw/zinc/87/16/22/168871622.db2.gz GLZOOQPVZWWODD-UHFFFAOYSA-N 1 0 213.324 3.730 20 0 BHADRO CCCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000019906905 385196263 /nfs/dbraw/zinc/19/62/63/385196263.db2.gz UVARFWNBACMEIY-UHFFFAOYSA-N 1 0 243.350 3.738 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000019906970 385359677 /nfs/dbraw/zinc/35/96/77/385359677.db2.gz NHKAEJZYACHTKI-JTQLQIEISA-N 1 0 211.736 3.791 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000019906971 385360222 /nfs/dbraw/zinc/36/02/22/385360222.db2.gz NHKAEJZYACHTKI-SNVBAGLBSA-N 1 0 211.736 3.791 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000019906978 384556139 /nfs/dbraw/zinc/55/61/39/384556139.db2.gz HUXYOMMMGSKCCI-INIZCTEOSA-N 1 0 240.350 3.561 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000019906979 384556226 /nfs/dbraw/zinc/55/62/26/384556226.db2.gz HUXYOMMMGSKCCI-MRXNPFEDSA-N 1 0 240.350 3.561 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019907039 385190769 /nfs/dbraw/zinc/19/07/69/385190769.db2.gz TZKNYNJRVLZRMC-JTQLQIEISA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000019907040 385192328 /nfs/dbraw/zinc/19/23/28/385192328.db2.gz TZKNYNJRVLZRMC-SNVBAGLBSA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000019907054 385361208 /nfs/dbraw/zinc/36/12/08/385361208.db2.gz BMXXGDIHLISILC-GFCCVEGCSA-N 1 0 221.369 3.613 20 0 BHADRO CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000019907055 385359956 /nfs/dbraw/zinc/35/99/56/385359956.db2.gz BMXXGDIHLISILC-LBPRGKRZSA-N 1 0 221.369 3.613 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019907069 168873770 /nfs/dbraw/zinc/87/37/70/168873770.db2.gz SKXBGFKYZPPPCF-ZDUSSCGKSA-N 1 0 205.345 3.754 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000019907070 168877001 /nfs/dbraw/zinc/87/70/01/168877001.db2.gz SKXBGFKYZPPPCF-CYBMUJFWSA-N 1 0 205.345 3.754 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000019907082 385361419 /nfs/dbraw/zinc/36/14/19/385361419.db2.gz OMASSIDHRVAVAT-AWEZNQCLSA-N 1 0 205.345 3.836 20 0 BHADRO CCCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000019907083 385191676 /nfs/dbraw/zinc/19/16/76/385191676.db2.gz OMASSIDHRVAVAT-CQSZACIVSA-N 1 0 205.345 3.836 20 0 BHADRO CCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019907104 590042743 /nfs/dbraw/zinc/04/27/43/590042743.db2.gz AFFNJYSHQNVDBW-HNNXBMFYSA-N 1 0 229.323 3.759 20 0 BHADRO CCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019907105 590043050 /nfs/dbraw/zinc/04/30/50/590043050.db2.gz AFFNJYSHQNVDBW-OAHLLOKOSA-N 1 0 229.323 3.759 20 0 BHADRO CCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019907106 590042919 /nfs/dbraw/zinc/04/29/19/590042919.db2.gz UKGDTYWXTNPBTD-JTQLQIEISA-N 1 0 234.368 3.747 20 0 BHADRO CCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019907107 590043012 /nfs/dbraw/zinc/04/30/12/590043012.db2.gz UKGDTYWXTNPBTD-SNVBAGLBSA-N 1 0 234.368 3.747 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019907142 385191461 /nfs/dbraw/zinc/19/14/61/385191461.db2.gz ZQTTWJVHEGLDQM-NSHDSACASA-N 1 0 217.312 3.884 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019907143 168876851 /nfs/dbraw/zinc/87/68/51/168876851.db2.gz ZQTTWJVHEGLDQM-LLVKDONJSA-N 1 0 217.312 3.884 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000019907172 384555741 /nfs/dbraw/zinc/55/57/41/384555741.db2.gz FNDXFUNUNNZKBT-NSHDSACASA-N 1 0 223.385 3.859 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000019907173 384555586 /nfs/dbraw/zinc/55/55/86/384555586.db2.gz FNDXFUNUNNZKBT-LLVKDONJSA-N 1 0 223.385 3.859 20 0 BHADRO CCCC(CCC)[NH2+]CCc1ccc(OC)cc1 ZINC000019907471 347311787 /nfs/dbraw/zinc/31/17/87/347311787.db2.gz LWWMFOROLHBHOI-UHFFFAOYSA-N 1 0 249.398 3.796 20 0 BHADRO COc1ccc(CC[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000019907473 175091805 /nfs/dbraw/zinc/09/18/05/175091805.db2.gz WCELVKOAPMMYDR-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(CC[NH2+][C@H](C)CCC(C)C)cc1 ZINC000019907475 175091247 /nfs/dbraw/zinc/09/12/47/175091247.db2.gz WCELVKOAPMMYDR-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO Fc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000019908172 347312645 /nfs/dbraw/zinc/31/26/45/347312645.db2.gz ADOYCRWUUUAIHK-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccncc1 ZINC000019908219 356992200 /nfs/dbraw/zinc/99/22/00/356992200.db2.gz CRPYDMHYMOMQAI-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccncc1 ZINC000019908220 387063443 /nfs/dbraw/zinc/06/34/43/387063443.db2.gz CRPYDMHYMOMQAI-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000019908376 169370512 /nfs/dbraw/zinc/37/05/12/169370512.db2.gz RWMCIIVWUXGVIZ-SNVBAGLBSA-N 1 0 211.736 3.618 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000019908379 169493760 /nfs/dbraw/zinc/49/37/60/169493760.db2.gz RWMCIIVWUXGVIZ-JTQLQIEISA-N 1 0 211.736 3.618 20 0 BHADRO COc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000019908935 187762459 /nfs/dbraw/zinc/76/24/59/187762459.db2.gz FQNQLCHROUKVGU-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cc1 ZINC000019908942 385192187 /nfs/dbraw/zinc/19/21/87/385192187.db2.gz FQNQLCHROUKVGU-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000019909064 384556765 /nfs/dbraw/zinc/55/67/65/384556765.db2.gz ZKTBHVZQVDYHOW-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)c2cccs2)cc1 ZINC000019909066 175111619 /nfs/dbraw/zinc/11/16/19/175111619.db2.gz ZKTBHVZQVDYHOW-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccc(OC)cc1 ZINC000019909288 347316587 /nfs/dbraw/zinc/31/65/87/347316587.db2.gz UZWDYAZOMQMIHV-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000019909290 175109281 /nfs/dbraw/zinc/10/92/81/175109281.db2.gz RVDQMFNPZRXUOC-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000019909292 175111138 /nfs/dbraw/zinc/11/11/38/175111138.db2.gz RVDQMFNPZRXUOC-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1ccccn1 ZINC000019909991 384557325 /nfs/dbraw/zinc/55/73/25/384557325.db2.gz ZUSZJDREFFERPS-CYBMUJFWSA-N 1 0 232.371 3.845 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1ccccn1 ZINC000019909994 384555338 /nfs/dbraw/zinc/55/53/38/384555338.db2.gz ZUSZJDREFFERPS-ZDUSSCGKSA-N 1 0 232.371 3.845 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1ccncc1 ZINC000019909996 384555594 /nfs/dbraw/zinc/55/55/94/384555594.db2.gz BYBZSCQGAWZOME-CYBMUJFWSA-N 1 0 232.371 3.845 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1ccncc1 ZINC000019909999 384557434 /nfs/dbraw/zinc/55/74/34/384557434.db2.gz BYBZSCQGAWZOME-ZDUSSCGKSA-N 1 0 232.371 3.845 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1cccnc1 ZINC000019910002 384557155 /nfs/dbraw/zinc/55/71/55/384557155.db2.gz GAQCNOZIPSYDQS-CYBMUJFWSA-N 1 0 232.371 3.845 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1cccnc1 ZINC000019910004 384556495 /nfs/dbraw/zinc/55/64/95/384556495.db2.gz GAQCNOZIPSYDQS-ZDUSSCGKSA-N 1 0 232.371 3.845 20 0 BHADRO Oc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000019910095 183289169 /nfs/dbraw/zinc/28/91/69/183289169.db2.gz KOPNTBFXSWTICJ-UHFFFAOYSA-N 1 0 233.355 3.595 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019911879 259385872 /nfs/dbraw/zinc/38/58/72/259385872.db2.gz SXPZKCMDKZCOGM-WCQYABFASA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019911881 259385760 /nfs/dbraw/zinc/38/57/60/259385760.db2.gz SXPZKCMDKZCOGM-AAEUAGOBSA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019911883 259385968 /nfs/dbraw/zinc/38/59/68/259385968.db2.gz SXPZKCMDKZCOGM-DGCLKSJQSA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000019911885 259386042 /nfs/dbraw/zinc/38/60/42/259386042.db2.gz SXPZKCMDKZCOGM-YPMHNXCESA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019911887 166862438 /nfs/dbraw/zinc/86/24/38/166862438.db2.gz GOUTZNHNPAYKDH-UHFFFAOYSA-N 1 0 245.288 3.841 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000019911905 385203621 /nfs/dbraw/zinc/20/36/21/385203621.db2.gz OXPMUCSAIDAMAP-AWEZNQCLSA-N 1 0 219.372 3.643 20 0 BHADRO CC(C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000019911907 385202496 /nfs/dbraw/zinc/20/24/96/385202496.db2.gz OXPMUCSAIDAMAP-CQSZACIVSA-N 1 0 219.372 3.643 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000019911914 385363964 /nfs/dbraw/zinc/36/39/64/385363964.db2.gz GIOIVEJLIYEPII-ZDUSSCGKSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000019911915 385365009 /nfs/dbraw/zinc/36/50/09/385365009.db2.gz GIOIVEJLIYEPII-CYBMUJFWSA-N 1 0 205.345 3.692 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC000019911970 385365467 /nfs/dbraw/zinc/36/54/67/385365467.db2.gz ITGHQSCOACHDOR-NSHDSACASA-N 1 0 209.308 3.522 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccccc1F ZINC000019911971 385363942 /nfs/dbraw/zinc/36/39/42/385363942.db2.gz ITGHQSCOACHDOR-LLVKDONJSA-N 1 0 209.308 3.522 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019911977 385365116 /nfs/dbraw/zinc/36/51/16/385365116.db2.gz XTTAFMDUPJIGCH-NSHDSACASA-N 1 0 209.308 3.522 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019911979 166865841 /nfs/dbraw/zinc/86/58/41/166865841.db2.gz XTTAFMDUPJIGCH-LLVKDONJSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccc(F)cc1 ZINC000019912020 387062820 /nfs/dbraw/zinc/06/28/20/387062820.db2.gz SYNXMWIILRSWND-CQSZACIVSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccc(F)cc1 ZINC000019912022 356992740 /nfs/dbraw/zinc/99/27/40/356992740.db2.gz SYNXMWIILRSWND-AWEZNQCLSA-N 1 0 223.335 3.913 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000019912043 170557863 /nfs/dbraw/zinc/55/78/63/170557863.db2.gz FZSCWCPAJGKKRA-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000019912045 347317594 /nfs/dbraw/zinc/31/75/94/347317594.db2.gz FZSCWCPAJGKKRA-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000019912057 590043934 /nfs/dbraw/zinc/04/39/34/590043934.db2.gz UHBUGGWEWYNUSU-CYBMUJFWSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000019912058 590044248 /nfs/dbraw/zinc/04/42/48/590044248.db2.gz UHBUGGWEWYNUSU-ZDUSSCGKSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019912075 385203374 /nfs/dbraw/zinc/20/33/74/385203374.db2.gz POTIEFXCMHBZBM-JTQLQIEISA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019912076 385203207 /nfs/dbraw/zinc/20/32/07/385203207.db2.gz POTIEFXCMHBZBM-SNVBAGLBSA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019912077 385203867 /nfs/dbraw/zinc/20/38/67/385203867.db2.gz BGNBUGVFASZXKC-JTQLQIEISA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019912078 385202575 /nfs/dbraw/zinc/20/25/75/385202575.db2.gz BGNBUGVFASZXKC-SNVBAGLBSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccc(OC)cc1 ZINC000019912084 387063397 /nfs/dbraw/zinc/06/33/97/387063397.db2.gz IKLHIVCNGMRWAT-OAHLLOKOSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccc(OC)cc1 ZINC000019912085 171518354 /nfs/dbraw/zinc/51/83/54/171518354.db2.gz IKLHIVCNGMRWAT-HNNXBMFYSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC(C)C ZINC000019912086 347317685 /nfs/dbraw/zinc/31/76/85/347317685.db2.gz ZEXVLVHSLIXACI-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CCC(C)C ZINC000019912087 347317770 /nfs/dbraw/zinc/31/77/70/347317770.db2.gz ZEXVLVHSLIXACI-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019912096 385202394 /nfs/dbraw/zinc/20/23/94/385202394.db2.gz KEBJWJAHMIVTQM-JTQLQIEISA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019912097 385201630 /nfs/dbraw/zinc/20/16/30/385201630.db2.gz KEBJWJAHMIVTQM-SNVBAGLBSA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019912104 590043962 /nfs/dbraw/zinc/04/39/62/590043962.db2.gz MPEDGZBYHHHMOH-NSHDSACASA-N 1 0 248.395 3.993 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019912106 590043922 /nfs/dbraw/zinc/04/39/22/590043922.db2.gz MPEDGZBYHHHMOH-LLVKDONJSA-N 1 0 248.395 3.993 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(C)C ZINC000019912112 175079260 /nfs/dbraw/zinc/07/92/60/175079260.db2.gz PJXMSFPPEMTYJU-CYBMUJFWSA-N 1 0 235.371 3.700 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC(C)C ZINC000019912114 175081564 /nfs/dbraw/zinc/08/15/64/175081564.db2.gz PJXMSFPPEMTYJU-ZDUSSCGKSA-N 1 0 235.371 3.700 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019912144 385204237 /nfs/dbraw/zinc/20/42/37/385204237.db2.gz NLWNUUYDPGEAML-NSHDSACASA-N 1 0 209.308 3.522 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC000019912145 385203739 /nfs/dbraw/zinc/20/37/39/385203739.db2.gz NLWNUUYDPGEAML-LLVKDONJSA-N 1 0 209.308 3.522 20 0 BHADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC(C)C ZINC000019912157 175208057 /nfs/dbraw/zinc/20/80/57/175208057.db2.gz BITCNEZEDNCDBD-INIZCTEOSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC(C)C ZINC000019912158 175207554 /nfs/dbraw/zinc/20/75/54/175207554.db2.gz BITCNEZEDNCDBD-MRXNPFEDSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1F ZINC000019912179 384560778 /nfs/dbraw/zinc/56/07/78/384560778.db2.gz RMFPNHQIOLYXLR-LLVKDONJSA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC(C)C)cc1F ZINC000019912181 175188080 /nfs/dbraw/zinc/18/80/80/175188080.db2.gz RMFPNHQIOLYXLR-NSHDSACASA-N 1 0 239.334 3.531 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000019912182 386686482 /nfs/dbraw/zinc/68/64/82/386686482.db2.gz VPBWGKUHJUVRPO-OAHLLOKOSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000019912184 166865714 /nfs/dbraw/zinc/86/57/14/166865714.db2.gz VPBWGKUHJUVRPO-HNNXBMFYSA-N 1 0 217.356 3.700 20 0 BHADRO CC[NH+]1CCC(Nc2ccc(C(C)C)cc2)CC1 ZINC000019912336 347317648 /nfs/dbraw/zinc/31/76/48/347317648.db2.gz IIXYWPUBMAACMC-UHFFFAOYSA-N 1 0 246.398 3.706 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000019912620 176080478 /nfs/dbraw/zinc/08/04/78/176080478.db2.gz RREMADKYTMVOPX-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000019912622 177082914 /nfs/dbraw/zinc/08/29/14/177082914.db2.gz RREMADKYTMVOPX-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000019912623 176088619 /nfs/dbraw/zinc/08/86/19/176088619.db2.gz RREMADKYTMVOPX-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000019912624 177088721 /nfs/dbraw/zinc/08/87/21/177088721.db2.gz RREMADKYTMVOPX-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000019912626 176123637 /nfs/dbraw/zinc/12/36/37/176123637.db2.gz QQOSCMFDZCSSJJ-TZMCWYRMSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000019912628 177123069 /nfs/dbraw/zinc/12/30/69/177123069.db2.gz QQOSCMFDZCSSJJ-GXTWGEPZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000019912629 176143080 /nfs/dbraw/zinc/14/30/80/176143080.db2.gz QQOSCMFDZCSSJJ-OCCSQVGLSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000019912630 177136784 /nfs/dbraw/zinc/13/67/84/177136784.db2.gz QQOSCMFDZCSSJJ-JSGCOSHPSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000019912662 385202808 /nfs/dbraw/zinc/20/28/08/385202808.db2.gz RVNZHNQZJWUEMT-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000019912664 385201924 /nfs/dbraw/zinc/20/19/24/385201924.db2.gz RVNZHNQZJWUEMT-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1F)c1cccs1 ZINC000019912695 385202156 /nfs/dbraw/zinc/20/21/56/385202156.db2.gz WRBOOTCIHWMPMA-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1F)c1cccs1 ZINC000019912697 385202309 /nfs/dbraw/zinc/20/23/09/385202309.db2.gz WRBOOTCIHWMPMA-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)o1 ZINC000019912724 590044028 /nfs/dbraw/zinc/04/40/28/590044028.db2.gz MTQANZGOFOSMGB-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2F)o1 ZINC000019912726 590044057 /nfs/dbraw/zinc/04/40/57/590044057.db2.gz MTQANZGOFOSMGB-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CC(C)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019915962 167005038 /nfs/dbraw/zinc/00/50/38/167005038.db2.gz VWONDMRPWDHQNS-UHFFFAOYSA-N 1 0 246.181 3.782 20 0 BHADRO CC(C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019915981 167109465 /nfs/dbraw/zinc/10/94/65/167109465.db2.gz FLHXVAAMWGYJOY-UHFFFAOYSA-N 1 0 232.154 3.534 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019915990 170751992 /nfs/dbraw/zinc/75/19/92/170751992.db2.gz UZIJKGVCAXDMMC-SECBINFHSA-N 1 0 246.181 3.924 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019915992 171341145 /nfs/dbraw/zinc/34/11/45/171341145.db2.gz UZIJKGVCAXDMMC-VIFPVBQESA-N 1 0 246.181 3.924 20 0 BHADRO CC1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000019917777 168164035 /nfs/dbraw/zinc/16/40/35/168164035.db2.gz MKORCRJNMDLVHR-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO CC1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000019917793 168164452 /nfs/dbraw/zinc/16/44/52/168164452.db2.gz UWLSXTUWAASFDQ-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO CC1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000019917795 168164367 /nfs/dbraw/zinc/16/43/67/168164367.db2.gz XARWZTGOWNDIPS-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccsc1C[NH2+]C1CCC(C)CC1 ZINC000019917816 347379037 /nfs/dbraw/zinc/37/90/37/347379037.db2.gz UCTALMRLTUQUHW-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000019917897 259385963 /nfs/dbraw/zinc/38/59/63/259385963.db2.gz XVHOUKKBIRNTEH-JVWICGRDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000019917899 175188608 /nfs/dbraw/zinc/18/86/08/175188608.db2.gz XVHOUKKBIRNTEH-OWYJLGKBSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)o1 ZINC000019917905 178887985 /nfs/dbraw/zinc/88/79/85/178887985.db2.gz RPMIFQDWAQVXDZ-YDGIUTOCSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)o1 ZINC000019917907 386735155 /nfs/dbraw/zinc/73/51/55/386735155.db2.gz RPMIFQDWAQVXDZ-YXMLORGKSA-N 1 0 221.344 3.817 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000019917909 175286328 /nfs/dbraw/zinc/28/63/28/175286328.db2.gz AEGJPKCWJWQOGW-JVWICGRDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000019917911 175292567 /nfs/dbraw/zinc/29/25/67/175292567.db2.gz AEGJPKCWJWQOGW-OWYJLGKBSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(O)c1 ZINC000019917957 168164768 /nfs/dbraw/zinc/16/47/68/168164768.db2.gz QAEVNVNVIBSKLX-LXVYMNJGSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(O)c1 ZINC000019917959 168165632 /nfs/dbraw/zinc/16/56/32/168165632.db2.gz QAEVNVNVIBSKLX-MBHSVXNSSA-N 1 0 233.355 3.622 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000019919796 385203314 /nfs/dbraw/zinc/20/33/14/385203314.db2.gz YOLCUTFPRPPWAQ-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000019919798 178890077 /nfs/dbraw/zinc/89/00/77/178890077.db2.gz YOLCUTFPRPPWAQ-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000019919800 386740120 /nfs/dbraw/zinc/74/01/20/386740120.db2.gz FCOLPEMHFZULCZ-QGZVFWFLSA-N 1 0 239.362 3.970 20 0 BHADRO CC[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000019919802 350854132 /nfs/dbraw/zinc/85/41/32/350854132.db2.gz FCOLPEMHFZULCZ-KRWDZBQOSA-N 1 0 239.362 3.970 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)c1cccs1 ZINC000019919837 175884512 /nfs/dbraw/zinc/88/45/12/175884512.db2.gz ZHGBNZZDCWCZMZ-GFCCVEGCSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)c1cccs1 ZINC000019919838 385201078 /nfs/dbraw/zinc/20/10/78/385201078.db2.gz ZHGBNZZDCWCZMZ-LBPRGKRZSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1F ZINC000019919841 385203913 /nfs/dbraw/zinc/20/39/13/385203913.db2.gz HAXWIRSUPGSFHZ-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)c1ccccc1F ZINC000019919843 385202358 /nfs/dbraw/zinc/20/23/58/385202358.db2.gz HAXWIRSUPGSFHZ-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1 ZINC000019919846 175884505 /nfs/dbraw/zinc/88/45/05/175884505.db2.gz VBDZEJTXNMSIAZ-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1 ZINC000019919848 385202410 /nfs/dbraw/zinc/20/24/10/385202410.db2.gz VBDZEJTXNMSIAZ-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000019919867 183394930 /nfs/dbraw/zinc/39/49/30/183394930.db2.gz CXOXSTYGHOGWPS-QGZVFWFLSA-N 1 0 237.346 3.506 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000019919868 183394668 /nfs/dbraw/zinc/39/46/68/183394668.db2.gz CXOXSTYGHOGWPS-KRWDZBQOSA-N 1 0 237.346 3.506 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCc1ccccc1 ZINC000019919928 179321046 /nfs/dbraw/zinc/32/10/46/179321046.db2.gz BZWZLIJWJJXGQC-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCc1ccccc1 ZINC000019919930 179337621 /nfs/dbraw/zinc/33/76/21/179337621.db2.gz BZWZLIJWJJXGQC-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)c1cccc(F)c1 ZINC000019920010 385203439 /nfs/dbraw/zinc/20/34/39/385203439.db2.gz BXBLHNMZSAEMMX-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)c1cccc(F)c1 ZINC000019920012 385203382 /nfs/dbraw/zinc/20/33/82/385203382.db2.gz BXBLHNMZSAEMMX-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000019920018 385200865 /nfs/dbraw/zinc/20/08/65/385200865.db2.gz DYKFEXFOPGFSAF-CQSZACIVSA-N 1 0 219.372 3.643 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCc1ccccc1 ZINC000019920020 347317466 /nfs/dbraw/zinc/31/74/66/347317466.db2.gz DYKFEXFOPGFSAF-AWEZNQCLSA-N 1 0 219.372 3.643 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)s1 ZINC000019920032 385201966 /nfs/dbraw/zinc/20/19/66/385201966.db2.gz WHAFPPCOSISNEP-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)s1 ZINC000019920034 178889353 /nfs/dbraw/zinc/88/93/53/178889353.db2.gz WHAFPPCOSISNEP-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1C ZINC000019920079 178757033 /nfs/dbraw/zinc/75/70/33/178757033.db2.gz HSLAUGSLAACDEA-UHFFFAOYSA-N 1 0 246.398 3.588 20 0 BHADRO CCC[NH+]1CCC(Nc2ccc(C)c(C)c2)CC1 ZINC000019920086 169190429 /nfs/dbraw/zinc/19/04/29/169190429.db2.gz HGFRBOGERPIQDQ-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)cc2)c(C)c1 ZINC000019943384 643053011 /nfs/dbraw/zinc/05/30/11/643053011.db2.gz BDMHMDSHOBZRLU-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000019943556 643052249 /nfs/dbraw/zinc/05/22/49/643052249.db2.gz RQNAFENWMFGCHG-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000019943558 643051881 /nfs/dbraw/zinc/05/18/81/643051881.db2.gz RQNAFENWMFGCHG-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccs1 ZINC000019943668 385225870 /nfs/dbraw/zinc/22/58/70/385225870.db2.gz NUXYUJWVOORBDB-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1cccs1 ZINC000019943670 385226562 /nfs/dbraw/zinc/22/65/62/385226562.db2.gz NUXYUJWVOORBDB-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1F ZINC000019943683 385226794 /nfs/dbraw/zinc/22/67/94/385226794.db2.gz WMKYPYDNOFSJKS-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1F ZINC000019943687 385224374 /nfs/dbraw/zinc/22/43/74/385224374.db2.gz WMKYPYDNOFSJKS-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019943701 385225352 /nfs/dbraw/zinc/22/53/52/385225352.db2.gz JICZVSFCLOUXNT-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019943705 385225215 /nfs/dbraw/zinc/22/52/15/385225215.db2.gz JICZVSFCLOUXNT-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000019943755 342964002 /nfs/dbraw/zinc/96/40/02/342964002.db2.gz IFDBOTITTSBLLK-MRXNPFEDSA-N 1 0 241.309 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000019943762 384560415 /nfs/dbraw/zinc/56/04/15/384560415.db2.gz BEUSGQKEXIRBJK-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000019943766 384559397 /nfs/dbraw/zinc/55/93/97/384559397.db2.gz BEUSGQKEXIRBJK-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019943866 179321624 /nfs/dbraw/zinc/32/16/24/179321624.db2.gz HHIWYVZYRRWLBX-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019943868 179338596 /nfs/dbraw/zinc/33/85/96/179338596.db2.gz HHIWYVZYRRWLBX-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000019944025 385224978 /nfs/dbraw/zinc/22/49/78/385224978.db2.gz CKOUUXXHKZAXLN-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000019944026 385224470 /nfs/dbraw/zinc/22/44/70/385224470.db2.gz CKOUUXXHKZAXLN-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019944034 385229252 /nfs/dbraw/zinc/22/92/52/385229252.db2.gz YTZCXTQRBSUFHP-GFCCVEGCSA-N 1 0 223.335 3.740 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000019944035 347326898 /nfs/dbraw/zinc/32/68/98/347326898.db2.gz YTZCXTQRBSUFHP-LBPRGKRZSA-N 1 0 223.335 3.740 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000019944901 176080637 /nfs/dbraw/zinc/08/06/37/176080637.db2.gz ZKTLNRGKCXKWBA-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000019944903 177082788 /nfs/dbraw/zinc/08/27/88/177082788.db2.gz ZKTLNRGKCXKWBA-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000019944905 176088429 /nfs/dbraw/zinc/08/84/29/176088429.db2.gz ZKTLNRGKCXKWBA-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000019944907 177089178 /nfs/dbraw/zinc/08/91/78/177089178.db2.gz ZKTLNRGKCXKWBA-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000019944960 176080687 /nfs/dbraw/zinc/08/06/87/176080687.db2.gz UUMUAMPZTFZUGE-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000019944964 177082532 /nfs/dbraw/zinc/08/25/32/177082532.db2.gz UUMUAMPZTFZUGE-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000019944967 176088237 /nfs/dbraw/zinc/08/82/37/176088237.db2.gz UUMUAMPZTFZUGE-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000019944970 177088949 /nfs/dbraw/zinc/08/89/49/177088949.db2.gz UUMUAMPZTFZUGE-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000019944973 176080647 /nfs/dbraw/zinc/08/06/47/176080647.db2.gz JUVYKLKHBHNIOQ-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000019944976 177082571 /nfs/dbraw/zinc/08/25/71/177082571.db2.gz JUVYKLKHBHNIOQ-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000019944980 176088775 /nfs/dbraw/zinc/08/87/75/176088775.db2.gz JUVYKLKHBHNIOQ-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000019944984 177089071 /nfs/dbraw/zinc/08/90/71/177089071.db2.gz JUVYKLKHBHNIOQ-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000019945109 347381780 /nfs/dbraw/zinc/38/17/80/347381780.db2.gz SGKAJPHAQWKPAX-PWSUYJOCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000019945113 347381751 /nfs/dbraw/zinc/38/17/51/347381751.db2.gz SGKAJPHAQWKPAX-JQWIXIFHSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000019945116 347382006 /nfs/dbraw/zinc/38/20/06/347382006.db2.gz SGKAJPHAQWKPAX-ZYHUDNBSSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019945119 347381786 /nfs/dbraw/zinc/38/17/86/347381786.db2.gz SGKAJPHAQWKPAX-CMPLNLGQSA-N 1 0 223.385 3.725 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019945242 175351769 /nfs/dbraw/zinc/35/17/69/175351769.db2.gz PYWDRVCUDFTXSM-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000019945248 175351908 /nfs/dbraw/zinc/35/19/08/175351908.db2.gz PYWDRVCUDFTXSM-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccco1 ZINC000019945391 342963849 /nfs/dbraw/zinc/96/38/49/342963849.db2.gz IYGXCYNUYHLQKQ-WOPDTQHZSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccco1 ZINC000019945394 176919371 /nfs/dbraw/zinc/91/93/71/176919371.db2.gz IYGXCYNUYHLQKQ-SRVKXCTJSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccco1 ZINC000019945397 176895395 /nfs/dbraw/zinc/89/53/95/176895395.db2.gz IYGXCYNUYHLQKQ-GRYCIOLGSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccco1 ZINC000019945400 384560025 /nfs/dbraw/zinc/56/00/25/384560025.db2.gz IYGXCYNUYHLQKQ-SDDRHHMPSA-N 1 0 207.317 3.509 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000019945419 175189335 /nfs/dbraw/zinc/18/93/35/175189335.db2.gz BAOLCLLEHMLGMG-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000019945425 175190190 /nfs/dbraw/zinc/19/01/90/175190190.db2.gz BAOLCLLEHMLGMG-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)o1 ZINC000019945441 347326658 /nfs/dbraw/zinc/32/66/58/347326658.db2.gz ILEYAWWRECPCCC-WXHSDQCUSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)o1 ZINC000019945444 385228328 /nfs/dbraw/zinc/22/83/28/385228328.db2.gz ILEYAWWRECPCCC-DRZSPHRISA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)o1 ZINC000019945446 367968521 /nfs/dbraw/zinc/96/85/21/367968521.db2.gz ILEYAWWRECPCCC-KGYLQXTDSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)o1 ZINC000019945449 385227886 /nfs/dbraw/zinc/22/78/86/385227886.db2.gz ILEYAWWRECPCCC-WCFLWFBJSA-N 1 0 221.344 3.817 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000019945454 175293337 /nfs/dbraw/zinc/29/33/37/175293337.db2.gz UZVQAHOLXUXEKN-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000019945460 175293081 /nfs/dbraw/zinc/29/30/81/175293081.db2.gz UZVQAHOLXUXEKN-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000019945618 347326565 /nfs/dbraw/zinc/32/65/65/347326565.db2.gz TYERYBGEEDAFGW-XUJVJEKNSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000019945621 347326724 /nfs/dbraw/zinc/32/67/24/347326724.db2.gz TYERYBGEEDAFGW-HUBLWGQQSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000019945624 385228509 /nfs/dbraw/zinc/22/85/09/385228509.db2.gz TYERYBGEEDAFGW-TYNCELHUSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000019945627 176893963 /nfs/dbraw/zinc/89/39/63/176893963.db2.gz TYERYBGEEDAFGW-SLEUVZQESA-N 1 0 233.355 3.622 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccs2)c(C)c1 ZINC000019948358 347326638 /nfs/dbraw/zinc/32/66/38/347326638.db2.gz XTFYGSNVQVGOSI-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO CCc1ccc(C[NH2+]CCc2cccs2)cc1 ZINC000019948485 385228012 /nfs/dbraw/zinc/22/80/12/385228012.db2.gz KPUFUPWADGOQRS-UHFFFAOYSA-N 1 0 245.391 3.643 20 0 BHADRO c1csc(CC[NH2+]C2CCCCCCC2)c1 ZINC000019948520 183515536 /nfs/dbraw/zinc/51/55/36/183515536.db2.gz PEYOOXMTGFRREH-UHFFFAOYSA-N 1 0 237.412 3.993 20 0 BHADRO CCC1CCC([NH2+]CCc2cccs2)CC1 ZINC000019948525 347326429 /nfs/dbraw/zinc/32/64/29/347326429.db2.gz PTWLBNMVQJDNBU-UHFFFAOYSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1cccs1 ZINC000019948582 176113321 /nfs/dbraw/zinc/11/33/21/176113321.db2.gz OQIHOXNPEAJAAS-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1cccs1 ZINC000019948592 177129862 /nfs/dbraw/zinc/12/98/62/177129862.db2.gz OQIHOXNPEAJAAS-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000019948726 175884436 /nfs/dbraw/zinc/88/44/36/175884436.db2.gz QFSVYJATXSTRJQ-GFCCVEGCSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000019948730 385229216 /nfs/dbraw/zinc/22/92/16/385229216.db2.gz QFSVYJATXSTRJQ-LBPRGKRZSA-N 1 0 231.364 3.641 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1 ZINC000019948742 385229458 /nfs/dbraw/zinc/22/94/58/385229458.db2.gz NXXNPZXMXLJMGI-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1 ZINC000019948747 385228486 /nfs/dbraw/zinc/22/84/86/385228486.db2.gz NXXNPZXMXLJMGI-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1cccs1 ZINC000019948880 175884242 /nfs/dbraw/zinc/88/42/42/175884242.db2.gz IONSTTQWTOXMJD-SNVBAGLBSA-N 1 0 237.393 3.703 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1cccs1 ZINC000019948884 385365306 /nfs/dbraw/zinc/36/53/06/385365306.db2.gz IONSTTQWTOXMJD-JTQLQIEISA-N 1 0 237.393 3.703 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1ccccc1F ZINC000019948892 385229421 /nfs/dbraw/zinc/22/94/21/385229421.db2.gz RNNMJNMVPKSMSW-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1ccccc1F ZINC000019948896 176854396 /nfs/dbraw/zinc/85/43/96/176854396.db2.gz RNNMJNMVPKSMSW-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1ccc(F)cc1 ZINC000019948909 385228854 /nfs/dbraw/zinc/22/88/54/385228854.db2.gz PLYARPPTUJGWFY-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1ccc(F)cc1 ZINC000019948913 176854416 /nfs/dbraw/zinc/85/44/16/176854416.db2.gz PLYARPPTUJGWFY-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000019948963 183516079 /nfs/dbraw/zinc/51/60/79/183516079.db2.gz APMRZLMIVVSVPF-OAHLLOKOSA-N 1 0 243.375 3.568 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCc3ccccc32)c1 ZINC000019948966 347326598 /nfs/dbraw/zinc/32/65/98/347326598.db2.gz APMRZLMIVVSVPF-HNNXBMFYSA-N 1 0 243.375 3.568 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2cccs2)o1 ZINC000019948970 384563790 /nfs/dbraw/zinc/56/37/90/384563790.db2.gz BQYYOLKYRBRTID-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2cccs2)o1 ZINC000019948976 384562179 /nfs/dbraw/zinc/56/21/79/384562179.db2.gz BQYYOLKYRBRTID-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCc1cccs1 ZINC000019949142 179321596 /nfs/dbraw/zinc/32/15/96/179321596.db2.gz IIRMJZAZXSYURQ-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCc1cccs1 ZINC000019949146 179337113 /nfs/dbraw/zinc/33/71/13/179337113.db2.gz IIRMJZAZXSYURQ-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1cccc(F)c1 ZINC000019949400 385228659 /nfs/dbraw/zinc/22/86/59/385228659.db2.gz QPEXXSWNDXDIGU-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1cccc(F)c1 ZINC000019949404 385228444 /nfs/dbraw/zinc/22/84/44/385228444.db2.gz QPEXXSWNDXDIGU-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCc1cccs1 ZINC000019949446 384564283 /nfs/dbraw/zinc/56/42/83/384564283.db2.gz ZSPRFCTYYSKPIQ-GFCCVEGCSA-N 1 0 225.401 3.705 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCc1cccs1 ZINC000019949450 342964348 /nfs/dbraw/zinc/96/43/48/342964348.db2.gz ZSPRFCTYYSKPIQ-LBPRGKRZSA-N 1 0 225.401 3.705 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2F)c(C)c1 ZINC000019949557 643047716 /nfs/dbraw/zinc/04/77/16/643047716.db2.gz IKVJEAFTFFMQHE-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Fc1ccccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000019949587 181012424 /nfs/dbraw/zinc/01/24/24/181012424.db2.gz YKKSPIXBYGUZSX-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000019949652 636353508 /nfs/dbraw/zinc/35/35/08/636353508.db2.gz MDOABZWWSYBXKV-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000019949844 643049260 /nfs/dbraw/zinc/04/92/60/643049260.db2.gz QQCBVPMGKJYPKK-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000019949848 643048252 /nfs/dbraw/zinc/04/82/52/643048252.db2.gz QQCBVPMGKJYPKK-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)c1cccs1 ZINC000019949975 385601808 /nfs/dbraw/zinc/60/18/08/385601808.db2.gz VQYAVAWCODWSGI-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1 ZINC000019950004 347327658 /nfs/dbraw/zinc/32/76/58/347327658.db2.gz WIAZOFJOGSPRIJ-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1 ZINC000019950008 385230413 /nfs/dbraw/zinc/23/04/13/385230413.db2.gz WIAZOFJOGSPRIJ-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019950060 181012583 /nfs/dbraw/zinc/01/25/83/181012583.db2.gz MUFLROIHDKLSKM-MRXNPFEDSA-N 1 0 241.309 3.603 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1F ZINC000019950229 179321504 /nfs/dbraw/zinc/32/15/04/179321504.db2.gz LYUPGWIXXJDXNV-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1F ZINC000019950233 179338767 /nfs/dbraw/zinc/33/87/67/179338767.db2.gz LYUPGWIXXJDXNV-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Fc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000019950464 181013609 /nfs/dbraw/zinc/01/36/09/181013609.db2.gz BZOAKRCUMOIJMO-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1F)c1cccc(F)c1 ZINC000019950501 347327674 /nfs/dbraw/zinc/32/76/74/347327674.db2.gz MREVDCRIWQOLHQ-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)c1cccc(F)c1 ZINC000019950506 385232287 /nfs/dbraw/zinc/23/22/87/385232287.db2.gz MREVDCRIWQOLHQ-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1F ZINC000019950530 385231891 /nfs/dbraw/zinc/23/18/91/385231891.db2.gz KILKSALUTDHALI-GFCCVEGCSA-N 1 0 223.335 3.740 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1F ZINC000019950534 166905337 /nfs/dbraw/zinc/90/53/37/166905337.db2.gz KILKSALUTDHALI-LBPRGKRZSA-N 1 0 223.335 3.740 20 0 BHADRO Cc1cc(C)cc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000019952586 347328539 /nfs/dbraw/zinc/32/85/39/347328539.db2.gz WFODDOXHPWRMGA-UHFFFAOYSA-N 1 0 246.398 3.588 20 0 BHADRO CCC[NH+]1CCC(Nc2cc(C)cc(C)c2)CC1 ZINC000019952604 169189400 /nfs/dbraw/zinc/18/94/00/169189400.db2.gz FWEWVRSYNPGVMU-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO CCc1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000019955129 384564210 /nfs/dbraw/zinc/56/42/10/384564210.db2.gz BUWAPEYFYWFWJT-UHFFFAOYSA-N 1 0 246.398 3.534 20 0 BHADRO CCC[NH+]1CCC(Nc2ccc(CC)cc2)CC1 ZINC000019955146 169189827 /nfs/dbraw/zinc/18/98/27/169189827.db2.gz NTXDRBNSOOFDFN-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO CCc1ccccc1NC1CC[NH+](C(C)C)CC1 ZINC000019956375 171888428 /nfs/dbraw/zinc/88/84/28/171888428.db2.gz GZMBGRQZZXLQLG-UHFFFAOYSA-N 1 0 246.398 3.534 20 0 BHADRO CCC[NH+]1CCC(Nc2ccccc2CC)CC1 ZINC000019956389 169190305 /nfs/dbraw/zinc/19/03/05/169190305.db2.gz SYJYTOVYMHFZHJ-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc3ccccc3c2)nc1 ZINC000019956904 385661376 /nfs/dbraw/zinc/66/13/76/385661376.db2.gz QPACDEQWIZXQKL-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CC(C)(C)C1CCC([NH2+]Cc2ccccn2)CC1 ZINC000019956978 356860077 /nfs/dbraw/zinc/86/00/77/356860077.db2.gz BZSIOGFJZKFKBU-UHFFFAOYSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000019957022 187206265 /nfs/dbraw/zinc/20/62/65/187206265.db2.gz MTUCUJXUMTXTNL-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000019957026 590055454 /nfs/dbraw/zinc/05/54/54/590055454.db2.gz MTUCUJXUMTXTNL-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000019957031 187370363 /nfs/dbraw/zinc/37/03/63/187370363.db2.gz MTUCUJXUMTXTNL-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000019957035 590055151 /nfs/dbraw/zinc/05/51/51/590055151.db2.gz MTUCUJXUMTXTNL-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000019957068 259386513 /nfs/dbraw/zinc/38/65/13/259386513.db2.gz ZIDLBUITNRQLAA-KBMXLJTQSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000019957078 259386187 /nfs/dbraw/zinc/38/61/87/259386187.db2.gz ZIDLBUITNRQLAA-BMFZPTHFSA-N 1 0 246.398 3.632 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccn1)c1ccc(C)cc1 ZINC000019957715 590055335 /nfs/dbraw/zinc/05/53/35/590055335.db2.gz CFGDCQDTNRELAA-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccn1)c1ccc(C)cc1 ZINC000019957718 590054997 /nfs/dbraw/zinc/05/49/97/590054997.db2.gz CFGDCQDTNRELAA-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CCc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000019962090 384563733 /nfs/dbraw/zinc/56/37/33/384563733.db2.gz JEKRJRKHYJCNBN-UHFFFAOYSA-N 1 0 246.398 3.534 20 0 BHADRO CCC[NH+]1CCC(Nc2cccc(CC)c2)CC1 ZINC000019962097 169190202 /nfs/dbraw/zinc/19/02/02/169190202.db2.gz YAXMYHQOVLNNOU-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000019962325 385237143 /nfs/dbraw/zinc/23/71/43/385237143.db2.gz XYZZWPALJOVVTL-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000019962333 385236144 /nfs/dbraw/zinc/23/61/44/385236144.db2.gz PKDIVZXATABRPM-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000019962347 385235677 /nfs/dbraw/zinc/23/56/77/385235677.db2.gz GNFSNQZICPQPKK-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000019962426 343774328 /nfs/dbraw/zinc/77/43/28/343774328.db2.gz BHOHTWSUCMATMR-CYBMUJFWSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000019962428 343774533 /nfs/dbraw/zinc/77/45/33/343774533.db2.gz BHOHTWSUCMATMR-ZDUSSCGKSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccs2)cc1 ZINC000019962454 342965317 /nfs/dbraw/zinc/96/53/17/342965317.db2.gz RGQYUYKKDXSXHM-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000019962456 342965335 /nfs/dbraw/zinc/96/53/35/342965335.db2.gz RGQYUYKKDXSXHM-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000019962460 385237105 /nfs/dbraw/zinc/23/71/05/385237105.db2.gz SYBFAFLOTYWBOX-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000019962462 385236560 /nfs/dbraw/zinc/23/65/60/385236560.db2.gz SYBFAFLOTYWBOX-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000019962468 178629819 /nfs/dbraw/zinc/62/98/19/178629819.db2.gz WPITYHKSVLFNNL-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000019962470 385236431 /nfs/dbraw/zinc/23/64/31/385236431.db2.gz WPITYHKSVLFNNL-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000019962496 342965225 /nfs/dbraw/zinc/96/52/25/342965225.db2.gz GTTIOOFXZRPUGK-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000019962498 342965354 /nfs/dbraw/zinc/96/53/54/342965354.db2.gz GTTIOOFXZRPUGK-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000019962569 342965345 /nfs/dbraw/zinc/96/53/45/342965345.db2.gz KFFYLYANEGXIHB-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000019962571 342965343 /nfs/dbraw/zinc/96/53/43/342965343.db2.gz KFFYLYANEGXIHB-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000019962692 385235663 /nfs/dbraw/zinc/23/56/63/385235663.db2.gz QMUWUKPHPJOFQA-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000019962694 385235070 /nfs/dbraw/zinc/23/50/70/385235070.db2.gz QMUWUKPHPJOFQA-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO CCOCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000019962803 170380811 /nfs/dbraw/zinc/38/08/11/170380811.db2.gz YSOVKPAWCTXNAI-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000019962823 170382027 /nfs/dbraw/zinc/38/20/27/170382027.db2.gz SYYAMDQJTUPNJY-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019962825 170383394 /nfs/dbraw/zinc/38/33/94/170383394.db2.gz SYYAMDQJTUPNJY-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000019962827 170382575 /nfs/dbraw/zinc/38/25/75/170382575.db2.gz SYYAMDQJTUPNJY-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000019962829 170383378 /nfs/dbraw/zinc/38/33/78/170383378.db2.gz SYYAMDQJTUPNJY-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000019962985 170382312 /nfs/dbraw/zinc/38/23/12/170382312.db2.gz NSFZGQNGGFXVLF-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019962986 170383029 /nfs/dbraw/zinc/38/30/29/170383029.db2.gz NSFZGQNGGFXVLF-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CCCOCC)cc1 ZINC000019963037 385235533 /nfs/dbraw/zinc/23/55/33/385235533.db2.gz AEANTCJPSWJDKT-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CCCOCC)cc1 ZINC000019963038 169574540 /nfs/dbraw/zinc/57/45/40/169574540.db2.gz AEANTCJPSWJDKT-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019963085 170381908 /nfs/dbraw/zinc/38/19/08/170381908.db2.gz AGJVPHDTYGBDHO-LBPRGKRZSA-N 1 0 247.338 3.510 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019963086 170382258 /nfs/dbraw/zinc/38/22/58/170382258.db2.gz AGJVPHDTYGBDHO-GFCCVEGCSA-N 1 0 247.338 3.510 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019963095 170381174 /nfs/dbraw/zinc/38/11/74/170381174.db2.gz VBVXQSPEGIQANZ-AWEZNQCLSA-N 1 0 249.398 3.887 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019963096 170382194 /nfs/dbraw/zinc/38/21/94/170382194.db2.gz VBVXQSPEGIQANZ-CQSZACIVSA-N 1 0 249.398 3.887 20 0 BHADRO CCC[C@@H]([NH2+]CCCOCC)c1ccccc1 ZINC000019963114 169399279 /nfs/dbraw/zinc/39/92/79/169399279.db2.gz FWSWWRMSVASXGK-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CCC[C@H]([NH2+]CCCOCC)c1ccccc1 ZINC000019963115 350918225 /nfs/dbraw/zinc/91/82/25/350918225.db2.gz FWSWWRMSVASXGK-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000019963133 259386490 /nfs/dbraw/zinc/38/64/90/259386490.db2.gz XGVSTUXTRJOQDM-DVOMOZLQSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000019963135 259386342 /nfs/dbraw/zinc/38/63/42/259386342.db2.gz XGVSTUXTRJOQDM-HEHGZKQESA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000019963137 259386511 /nfs/dbraw/zinc/38/65/11/259386511.db2.gz LXQPLSCIKLOPGU-DVOMOZLQSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000019963139 259386496 /nfs/dbraw/zinc/38/64/96/259386496.db2.gz LXQPLSCIKLOPGU-HEHGZKQESA-N 1 0 247.382 3.610 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000019963185 350918216 /nfs/dbraw/zinc/91/82/16/350918216.db2.gz GJPVEONAHLBOOS-MPKXVKKWSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000019963186 350918161 /nfs/dbraw/zinc/91/81/61/350918161.db2.gz GJPVEONAHLBOOS-ZKYQVNSYSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC000019963193 176123155 /nfs/dbraw/zinc/12/31/55/176123155.db2.gz IMQYZTKHBZYESV-NQBHXWOUSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC000019963195 176144689 /nfs/dbraw/zinc/14/46/89/176144689.db2.gz IMQYZTKHBZYESV-WZRBSPASSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccn1 ZINC000019963237 384563697 /nfs/dbraw/zinc/56/36/97/384563697.db2.gz OWWRFQFPAIVPGD-YIYPIFLZSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccccn1 ZINC000019963238 384563114 /nfs/dbraw/zinc/56/31/14/384563114.db2.gz OWWRFQFPAIVPGD-RFQIPJPRSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)c1ccccn1 ZINC000019963239 538930173 /nfs/dbraw/zinc/93/01/73/538930173.db2.gz OWWRFQFPAIVPGD-MQYQWHSLSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccncc1 ZINC000019963241 385664284 /nfs/dbraw/zinc/66/42/84/385664284.db2.gz SLZCFMFRTKQWIZ-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccncc1 ZINC000019963242 385664545 /nfs/dbraw/zinc/66/45/45/385664545.db2.gz SLZCFMFRTKQWIZ-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1cccnc1 ZINC000019963245 384564237 /nfs/dbraw/zinc/56/42/37/384564237.db2.gz DWKZGDMUQUSLJG-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1cccnc1 ZINC000019963246 384563077 /nfs/dbraw/zinc/56/30/77/384563077.db2.gz DWKZGDMUQUSLJG-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)c1cccnc1 ZINC000019963247 385236334 /nfs/dbraw/zinc/23/63/34/385236334.db2.gz DWKZGDMUQUSLJG-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccco1 ZINC000019963265 176895693 /nfs/dbraw/zinc/89/56/93/176895693.db2.gz DNBNJRYYGXHMOE-FVCCEPFGSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccco1 ZINC000019963266 385236609 /nfs/dbraw/zinc/23/66/09/385236609.db2.gz DNBNJRYYGXHMOE-QNWHQSFQSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1cccc(O)c1 ZINC000019963301 385236909 /nfs/dbraw/zinc/23/69/09/385236909.db2.gz GONMPEJKULEUCQ-NFFDBFGFSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1cccc(O)c1 ZINC000019963302 385235751 /nfs/dbraw/zinc/23/57/51/385235751.db2.gz GONMPEJKULEUCQ-RSUWNVLCSA-N 1 0 247.382 3.868 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000019963684 187330695 /nfs/dbraw/zinc/33/06/95/187330695.db2.gz WZQJYVDOUXOPQC-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000019963685 188369435 /nfs/dbraw/zinc/36/94/35/188369435.db2.gz WZQJYVDOUXOPQC-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000019963686 385663549 /nfs/dbraw/zinc/66/35/49/385663549.db2.gz WZQJYVDOUXOPQC-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000019963687 187505020 /nfs/dbraw/zinc/50/50/20/187505020.db2.gz WZQJYVDOUXOPQC-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963898 347329519 /nfs/dbraw/zinc/32/95/19/347329519.db2.gz VETNFGMJCMBIQD-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963899 347329546 /nfs/dbraw/zinc/32/95/46/347329546.db2.gz VETNFGMJCMBIQD-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963900 347329413 /nfs/dbraw/zinc/32/94/13/347329413.db2.gz VETNFGMJCMBIQD-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963901 167616996 /nfs/dbraw/zinc/61/69/96/167616996.db2.gz VETNFGMJCMBIQD-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO Cc1cccc(NC2CC[NH+](C(C)C)CC2)c1C ZINC000019964235 342965237 /nfs/dbraw/zinc/96/52/37/342965237.db2.gz WPJPZBLGRXNKOQ-UHFFFAOYSA-N 1 0 246.398 3.588 20 0 BHADRO CCC[NH+]1CCC(Nc2cccc(C)c2C)CC1 ZINC000019964239 169190452 /nfs/dbraw/zinc/19/04/52/169190452.db2.gz GQUTVYQZRYIVBT-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO CCC[NH+]1CCC(Nc2cc(C)ccc2C)CC1 ZINC000019964582 169189465 /nfs/dbraw/zinc/18/94/65/169189465.db2.gz CEUPMQXPXRLKQW-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO CCCC(CCC)[NH2+]C(C1CC1)C1CC1 ZINC000019978602 259392902 /nfs/dbraw/zinc/39/29/02/259392902.db2.gz JGOLXBLIXNXYPE-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000019980250 259386804 /nfs/dbraw/zinc/38/68/04/259386804.db2.gz WUXSUOONCRNHJX-OLZOCXBDSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000019980254 259386767 /nfs/dbraw/zinc/38/67/67/259386767.db2.gz WUXSUOONCRNHJX-STQMWFEESA-N 1 0 233.330 3.833 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000019980258 259386816 /nfs/dbraw/zinc/38/68/16/259386816.db2.gz WUXSUOONCRNHJX-CHWSQXEVSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000019980261 259386795 /nfs/dbraw/zinc/38/67/95/259386795.db2.gz WUXSUOONCRNHJX-QWHCGFSZSA-N 1 0 233.330 3.833 20 0 BHADRO Cc1ccccc1C[NH2+]CCCc1ccccc1 ZINC000019981650 179281286 /nfs/dbraw/zinc/28/12/86/179281286.db2.gz ZBJWMPLODYSUDA-UHFFFAOYSA-N 1 0 239.362 3.717 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000019982874 517414095 /nfs/dbraw/zinc/41/40/95/517414095.db2.gz VWXTYBRGEOMKJC-CYBMUJFWSA-N 1 0 235.371 3.697 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000019982878 385248481 /nfs/dbraw/zinc/24/84/81/385248481.db2.gz VWXTYBRGEOMKJC-ZDUSSCGKSA-N 1 0 235.371 3.697 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000019982901 259386793 /nfs/dbraw/zinc/38/67/93/259386793.db2.gz DLVVAXQPBUAAHG-ZDUSSCGKSA-N 1 0 205.345 3.672 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000019982905 259386559 /nfs/dbraw/zinc/38/65/59/259386559.db2.gz DLVVAXQPBUAAHG-CYBMUJFWSA-N 1 0 205.345 3.672 20 0 BHADRO CCC[C@@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000019983395 169399759 /nfs/dbraw/zinc/39/97/59/169399759.db2.gz RTFOVWVGQGHHEE-MRXNPFEDSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000019983399 356995885 /nfs/dbraw/zinc/99/58/85/356995885.db2.gz RTFOVWVGQGHHEE-INIZCTEOSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000019984243 169360138 /nfs/dbraw/zinc/36/01/38/169360138.db2.gz UWHTTYCOSHLDPK-DGCLKSJQSA-N 1 0 221.344 3.683 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000019984247 387066870 /nfs/dbraw/zinc/06/68/70/387066870.db2.gz UWHTTYCOSHLDPK-WCQYABFASA-N 1 0 221.344 3.683 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000019984251 169361188 /nfs/dbraw/zinc/36/11/88/169361188.db2.gz UWHTTYCOSHLDPK-YPMHNXCESA-N 1 0 221.344 3.683 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000019984255 387068078 /nfs/dbraw/zinc/06/80/78/387068078.db2.gz UWHTTYCOSHLDPK-AAEUAGOBSA-N 1 0 221.344 3.683 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000019984509 259387002 /nfs/dbraw/zinc/38/70/02/259387002.db2.gz RYRXQTJBHXMYRD-ZIAGYGMSSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000019984513 259386624 /nfs/dbraw/zinc/38/66/24/259386624.db2.gz RYRXQTJBHXMYRD-UONOGXRCSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccccc1 ZINC000019984517 259386957 /nfs/dbraw/zinc/38/69/57/259386957.db2.gz RYRXQTJBHXMYRD-KGLIPLIRSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1ccccc1 ZINC000019984521 259386643 /nfs/dbraw/zinc/38/66/43/259386643.db2.gz RYRXQTJBHXMYRD-KBPBESRZSA-N 1 0 219.372 3.643 20 0 BHADRO CCOc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000019986566 357274189 /nfs/dbraw/zinc/27/41/89/357274189.db2.gz HVPYXLRINHLQSG-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000019986829 175345092 /nfs/dbraw/zinc/34/50/92/175345092.db2.gz UDSTYADXDODZRB-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000019986833 175351160 /nfs/dbraw/zinc/35/11/60/175351160.db2.gz UDSTYADXDODZRB-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000019989376 259386640 /nfs/dbraw/zinc/38/66/40/259386640.db2.gz HVKSHKSZFZTGRP-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000019989381 259386650 /nfs/dbraw/zinc/38/66/50/259386650.db2.gz HVKSHKSZFZTGRP-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1ccccn1 ZINC000019989800 590064764 /nfs/dbraw/zinc/06/47/64/590064764.db2.gz CVGLKCKXUPMQIT-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(C)o1 ZINC000019989815 259386689 /nfs/dbraw/zinc/38/66/89/259386689.db2.gz DUDRCRPBVFUBEI-CYBMUJFWSA-N 1 0 223.360 3.894 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccc(C)o1 ZINC000019989818 259386920 /nfs/dbraw/zinc/38/69/20/259386920.db2.gz DUDRCRPBVFUBEI-ZDUSSCGKSA-N 1 0 223.360 3.894 20 0 BHADRO Cc1cccc(C[NH2+]C2CCC(C)CC2)c1 ZINC000019990422 357274386 /nfs/dbraw/zinc/27/43/86/357274386.db2.gz XCBKIMIVGDEYNC-UHFFFAOYSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000019992575 259386609 /nfs/dbraw/zinc/38/66/09/259386609.db2.gz PPNSYQGZUOHDSN-ZFWWWQNUSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000019992577 259386583 /nfs/dbraw/zinc/38/65/83/259386583.db2.gz PPNSYQGZUOHDSN-HIFRSBDPSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000019992581 259386665 /nfs/dbraw/zinc/38/66/65/259386665.db2.gz PPNSYQGZUOHDSN-DZGCQCFKSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000019992584 259386907 /nfs/dbraw/zinc/38/69/07/259386907.db2.gz PPNSYQGZUOHDSN-UKRRQHHQSA-N 1 0 241.419 3.604 20 0 BHADRO CCC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000019995326 259387190 /nfs/dbraw/zinc/38/71/90/259387190.db2.gz TVQPCPYQNUXTID-UHFFFAOYSA-N 1 0 217.356 3.745 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000019995806 259387187 /nfs/dbraw/zinc/38/71/87/259387187.db2.gz LUIDLJOBUIXULW-CQSZACIVSA-N 1 0 244.382 3.666 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000019995810 259387165 /nfs/dbraw/zinc/38/71/65/259387165.db2.gz LUIDLJOBUIXULW-AWEZNQCLSA-N 1 0 244.382 3.666 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCCCCC2)o1 ZINC000019997403 259387153 /nfs/dbraw/zinc/38/71/53/259387153.db2.gz GEJMCSMOBNCWLH-GFCCVEGCSA-N 1 0 221.344 3.961 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCCCCC2)o1 ZINC000019997407 259387228 /nfs/dbraw/zinc/38/72/28/259387228.db2.gz GEJMCSMOBNCWLH-LBPRGKRZSA-N 1 0 221.344 3.961 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000019997881 371215469 /nfs/dbraw/zinc/21/54/69/371215469.db2.gz JXSHVFCTJPISTF-LLVKDONJSA-N 1 0 241.325 3.879 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000019997883 371215345 /nfs/dbraw/zinc/21/53/45/371215345.db2.gz JXSHVFCTJPISTF-NSHDSACASA-N 1 0 241.325 3.879 20 0 BHADRO CCC(CC)C[NH2+]CCCc1ccccc1 ZINC000019998859 168360027 /nfs/dbraw/zinc/36/00/27/168360027.db2.gz HCGGKLDECHHISX-UHFFFAOYSA-N 1 0 219.372 3.645 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCOC(C)C ZINC000019998941 259387151 /nfs/dbraw/zinc/38/71/51/259387151.db2.gz HUGPPQBLNCEUST-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCCOC(C)C ZINC000019998943 322831925 /nfs/dbraw/zinc/83/19/25/322831925.db2.gz HUGPPQBLNCEUST-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCCOC(C)C ZINC000019998945 259387143 /nfs/dbraw/zinc/38/71/43/259387143.db2.gz HUGPPQBLNCEUST-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCCOC(C)C ZINC000019998947 259387163 /nfs/dbraw/zinc/38/71/63/259387163.db2.gz HUGPPQBLNCEUST-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000020000470 259387173 /nfs/dbraw/zinc/38/71/73/259387173.db2.gz KFHGTUFNWCLWCB-OLZOCXBDSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000020000473 259387214 /nfs/dbraw/zinc/38/72/14/259387214.db2.gz KFHGTUFNWCLWCB-STQMWFEESA-N 1 0 233.330 3.833 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000020000476 259387174 /nfs/dbraw/zinc/38/71/74/259387174.db2.gz KFHGTUFNWCLWCB-CHWSQXEVSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000020000480 259387159 /nfs/dbraw/zinc/38/71/59/259387159.db2.gz KFHGTUFNWCLWCB-QWHCGFSZSA-N 1 0 233.330 3.833 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccco1 ZINC000020000988 521035906 /nfs/dbraw/zinc/03/59/06/521035906.db2.gz NTWWFXFNHUFKIC-GFCCVEGCSA-N 1 0 209.333 3.586 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccco1 ZINC000020000991 521179606 /nfs/dbraw/zinc/17/96/06/521179606.db2.gz NTWWFXFNHUFKIC-LBPRGKRZSA-N 1 0 209.333 3.586 20 0 BHADRO CC(C)CCOc1ccc(C[NH2+]CC2CC2)cc1 ZINC000020001867 259387150 /nfs/dbraw/zinc/38/71/50/259387150.db2.gz QEBFKWUESVDVKM-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000020002303 179101140 /nfs/dbraw/zinc/10/11/40/179101140.db2.gz HSDIVBLXDTVZSV-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000020002306 179101143 /nfs/dbraw/zinc/10/11/43/179101143.db2.gz HSDIVBLXDTVZSV-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000020002309 179097729 /nfs/dbraw/zinc/09/77/29/179097729.db2.gz HSDIVBLXDTVZSV-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000020002312 179097210 /nfs/dbraw/zinc/09/72/10/179097210.db2.gz HSDIVBLXDTVZSV-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1CCCCCC1 ZINC000020002561 347334330 /nfs/dbraw/zinc/33/43/30/347334330.db2.gz GOSTYSJOUOYGAE-ZDUSSCGKSA-N 1 0 235.371 3.913 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1CCCCCC1 ZINC000020002564 347334749 /nfs/dbraw/zinc/33/47/49/347334749.db2.gz GOSTYSJOUOYGAE-CYBMUJFWSA-N 1 0 235.371 3.913 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020006592 259394307 /nfs/dbraw/zinc/39/43/07/259394307.db2.gz HDDIJCQFFUQCBA-LLVKDONJSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020006595 487746191 /nfs/dbraw/zinc/74/61/91/487746191.db2.gz HDDIJCQFFUQCBA-NSHDSACASA-N 1 0 209.377 3.589 20 0 BHADRO Clc1ccc(CC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000020006639 487746385 /nfs/dbraw/zinc/74/63/85/487746385.db2.gz KFZBNOWFXAYYRB-AWEZNQCLSA-N 1 0 249.785 3.828 20 0 BHADRO Clc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000020006642 487746221 /nfs/dbraw/zinc/74/62/21/487746221.db2.gz KFZBNOWFXAYYRB-CQSZACIVSA-N 1 0 249.785 3.828 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000020006701 351153497 /nfs/dbraw/zinc/15/34/97/351153497.db2.gz BVOMWAIZYKXARQ-IUODEOHRSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000020006704 171287419 /nfs/dbraw/zinc/28/74/19/171287419.db2.gz BVOMWAIZYKXARQ-SWLSCSKDSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000020006707 351153892 /nfs/dbraw/zinc/15/38/92/351153892.db2.gz BVOMWAIZYKXARQ-DOMZBBRYSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000020006710 171288278 /nfs/dbraw/zinc/28/82/78/171288278.db2.gz BVOMWAIZYKXARQ-WFASDCNBSA-N 1 0 217.356 3.700 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000020007617 176081184 /nfs/dbraw/zinc/08/11/84/176081184.db2.gz JSBSAEBRPPZXJX-KWCYVHTRSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000020007623 176089248 /nfs/dbraw/zinc/08/92/48/176089248.db2.gz JSBSAEBRPPZXJX-MRVWCRGKSA-N 1 0 233.355 3.825 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1cccs1 ZINC000020008291 259394801 /nfs/dbraw/zinc/39/48/01/259394801.db2.gz WODVYRFMOCEHPP-NSHDSACASA-N 1 0 211.374 3.979 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1cccs1 ZINC000020008294 259387225 /nfs/dbraw/zinc/38/72/25/259387225.db2.gz WODVYRFMOCEHPP-LLVKDONJSA-N 1 0 211.374 3.979 20 0 BHADRO C1CC1C([NH2+]C1CCCCCCC1)C1CC1 ZINC000020008959 590066258 /nfs/dbraw/zinc/06/62/58/590066258.db2.gz JQKUQBLUJKWVDK-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000020010304 643308214 /nfs/dbraw/zinc/30/82/14/643308214.db2.gz PBSNNSDQNLZISE-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000020010469 385263933 /nfs/dbraw/zinc/26/39/33/385263933.db2.gz PSTJZDCLBSFGTB-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000020010474 385263328 /nfs/dbraw/zinc/26/33/28/385263328.db2.gz PSTJZDCLBSFGTB-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC(C)CC2)s1 ZINC000020011716 371217536 /nfs/dbraw/zinc/21/75/36/371217536.db2.gz YYWFXHGFUZTKOU-UHFFFAOYSA-N 1 0 237.412 3.979 20 0 BHADRO CC(C)COc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000020011741 397887201 /nfs/dbraw/zinc/88/72/01/397887201.db2.gz YGMFQGLWXZWCJL-CYBMUJFWSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)COc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000020011744 397886960 /nfs/dbraw/zinc/88/69/60/397886960.db2.gz YGMFQGLWXZWCJL-ZDUSSCGKSA-N 1 0 247.382 3.782 20 0 BHADRO Fc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000020012988 180996831 /nfs/dbraw/zinc/99/68/31/180996831.db2.gz OGTVWRULPRVAIH-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020013576 590067284 /nfs/dbraw/zinc/06/72/84/590067284.db2.gz ZDKPXSGVCOXFEU-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020013579 590067108 /nfs/dbraw/zinc/06/71/08/590067108.db2.gz ZDKPXSGVCOXFEU-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc(C[NH2+]CCCc2ccccc2)s1 ZINC000020013863 347336609 /nfs/dbraw/zinc/33/66/09/347336609.db2.gz HRCIQUDAOYWISN-UHFFFAOYSA-N 1 0 245.391 3.779 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000020014059 167383819 /nfs/dbraw/zinc/38/38/19/167383819.db2.gz CZZWXRBQSCBNEN-IUODEOHRSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000020014062 356996201 /nfs/dbraw/zinc/99/62/01/356996201.db2.gz CZZWXRBQSCBNEN-SWLSCSKDSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000020014065 167385951 /nfs/dbraw/zinc/38/59/51/167385951.db2.gz CZZWXRBQSCBNEN-DOMZBBRYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000020014067 387067686 /nfs/dbraw/zinc/06/76/86/387067686.db2.gz CZZWXRBQSCBNEN-WFASDCNBSA-N 1 0 217.356 3.698 20 0 BHADRO CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020015576 590067367 /nfs/dbraw/zinc/06/73/67/590067367.db2.gz XHBVUCBTADBFTB-QWHCGFSZSA-N 1 0 211.393 3.981 20 0 BHADRO CCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020015579 590067218 /nfs/dbraw/zinc/06/72/18/590067218.db2.gz XHBVUCBTADBFTB-STQMWFEESA-N 1 0 211.393 3.981 20 0 BHADRO CCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020015582 590067719 /nfs/dbraw/zinc/06/77/19/590067719.db2.gz XHBVUCBTADBFTB-CHWSQXEVSA-N 1 0 211.393 3.981 20 0 BHADRO CCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000020015585 590067584 /nfs/dbraw/zinc/06/75/84/590067584.db2.gz XHBVUCBTADBFTB-OLZOCXBDSA-N 1 0 211.393 3.981 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCn1ccc2ccccc21 ZINC000020016853 323084325 /nfs/dbraw/zinc/08/43/25/323084325.db2.gz SBKXESNUEWRCIG-CQSZACIVSA-N 1 0 244.382 3.667 20 0 BHADRO CC[C@H](C)C[NH2+]CCCn1ccc2ccccc21 ZINC000020016856 323084312 /nfs/dbraw/zinc/08/43/12/323084312.db2.gz SBKXESNUEWRCIG-AWEZNQCLSA-N 1 0 244.382 3.667 20 0 BHADRO CC[C@@H]([NH2+]CCCOCC(C)C)c1ccccc1 ZINC000020017253 170894598 /nfs/dbraw/zinc/89/45/98/170894598.db2.gz NYJHPBACUWSQCN-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@H]([NH2+]CCCOCC(C)C)c1ccccc1 ZINC000020017256 356996347 /nfs/dbraw/zinc/99/63/47/356996347.db2.gz NYJHPBACUWSQCN-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000020017391 520093545 /nfs/dbraw/zinc/09/35/45/520093545.db2.gz QCPZWHLGVCMFAH-LBPRGKRZSA-N 1 0 209.333 3.819 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000020017394 520094060 /nfs/dbraw/zinc/09/40/60/520094060.db2.gz QCPZWHLGVCMFAH-GFCCVEGCSA-N 1 0 209.333 3.819 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000020019292 323084334 /nfs/dbraw/zinc/08/43/34/323084334.db2.gz JQHZAMOILHWDGH-LLVKDONJSA-N 1 0 241.325 3.879 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000020019295 323084315 /nfs/dbraw/zinc/08/43/15/323084315.db2.gz JQHZAMOILHWDGH-NSHDSACASA-N 1 0 241.325 3.879 20 0 BHADRO CC[NH2+][C@H](c1ccc(CC)cc1)C(C)C ZINC000020022202 259387424 /nfs/dbraw/zinc/38/74/24/259387424.db2.gz XRADPVPQGMBPKC-AWEZNQCLSA-N 1 0 205.345 3.556 20 0 BHADRO CC[NH2+][C@@H](c1ccc(CC)cc1)C(C)C ZINC000020022205 259394703 /nfs/dbraw/zinc/39/47/03/259394703.db2.gz XRADPVPQGMBPKC-CQSZACIVSA-N 1 0 205.345 3.556 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000020022616 259387435 /nfs/dbraw/zinc/38/74/35/259387435.db2.gz BTHUMJKGCWHEEE-CQSZACIVSA-N 1 0 219.372 3.991 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1 ZINC000020022618 259387422 /nfs/dbraw/zinc/38/74/22/259387422.db2.gz BTHUMJKGCWHEEE-AWEZNQCLSA-N 1 0 219.372 3.991 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020022789 259387443 /nfs/dbraw/zinc/38/74/43/259387443.db2.gz FUOHJQAHZGUMHC-NEPJUHHUSA-N 1 0 217.356 3.624 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020022792 259387418 /nfs/dbraw/zinc/38/74/18/259387418.db2.gz FUOHJQAHZGUMHC-RYUDHWBXSA-N 1 0 217.356 3.624 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000020022795 259387358 /nfs/dbraw/zinc/38/73/58/259387358.db2.gz FUOHJQAHZGUMHC-VXGBXAGGSA-N 1 0 217.356 3.624 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000020022797 259387346 /nfs/dbraw/zinc/38/73/46/259387346.db2.gz FUOHJQAHZGUMHC-NWDGAFQWSA-N 1 0 217.356 3.624 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H]1C ZINC000020024315 259387445 /nfs/dbraw/zinc/38/74/45/259387445.db2.gz QWARNICXAJMVLO-KBXIAJHMSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000020035391 385272519 /nfs/dbraw/zinc/27/25/19/385272519.db2.gz RNMIIZKBSKGZEE-OAHLLOKOSA-N 1 0 239.362 3.970 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000020035395 385272416 /nfs/dbraw/zinc/27/24/16/385272416.db2.gz RNMIIZKBSKGZEE-HNNXBMFYSA-N 1 0 239.362 3.970 20 0 BHADRO Clc1ccc(C[NH2+]C2CCCCC2)s1 ZINC000020035717 590068232 /nfs/dbraw/zinc/06/82/32/590068232.db2.gz OOMOBQPTPRLAFK-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCc1ccc(C[NH2+]C2CCCCC2)s1 ZINC000020035738 385272602 /nfs/dbraw/zinc/27/26/02/385272602.db2.gz HKWHSXJLSCTUBI-UHFFFAOYSA-N 1 0 223.385 3.733 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(F)cc1Cl ZINC000020035983 168298841 /nfs/dbraw/zinc/29/88/41/168298841.db2.gz RIHYHSPFVYYWRT-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000020036064 168299818 /nfs/dbraw/zinc/29/98/18/168299818.db2.gz DMJDQLNPMQROEU-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)CC)s1 ZINC000020036082 171803322 /nfs/dbraw/zinc/80/33/22/171803322.db2.gz SPMVBZXKEPKVDB-UHFFFAOYSA-N 1 0 211.374 3.589 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(F)cc1Cl ZINC000020037240 168390230 /nfs/dbraw/zinc/39/02/30/168390230.db2.gz BUIWSURUDLEVFR-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(Cl)s1 ZINC000020037350 168389239 /nfs/dbraw/zinc/38/92/39/168389239.db2.gz NQYCXLPJBHMGJI-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CCc1ccc(C[NH2+]C(CC)CC)s1 ZINC000020037373 385410530 /nfs/dbraw/zinc/41/05/30/385410530.db2.gz RYYPLYUEPGSQTC-UHFFFAOYSA-N 1 0 211.374 3.589 20 0 BHADRO Fc1ccc(C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000020038319 347339743 /nfs/dbraw/zinc/33/97/43/347339743.db2.gz SIZJRNRDLRSYLS-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO Clc1ccc(C[NH2+]Cc2ccccc2)s1 ZINC000020038390 347339775 /nfs/dbraw/zinc/33/97/75/347339775.db2.gz RYQUNKOONCCMHG-UHFFFAOYSA-N 1 0 237.755 3.691 20 0 BHADRO CCCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000020039696 347340901 /nfs/dbraw/zinc/34/09/01/347340901.db2.gz YVLMPMVMDXGVBZ-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CCCCC[NH2+]Cc1ccc(Cl)s1 ZINC000020039779 347403091 /nfs/dbraw/zinc/40/30/91/347403091.db2.gz DIQVWIBVKCPFDS-UHFFFAOYSA-N 1 0 217.765 3.681 20 0 BHADRO CCCCC[NH2+]Cc1ccc(CC)s1 ZINC000020039796 371222037 /nfs/dbraw/zinc/22/20/37/371222037.db2.gz LKAZLKUICROYPO-UHFFFAOYSA-N 1 0 211.374 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000020040569 169370289 /nfs/dbraw/zinc/37/02/89/169370289.db2.gz AWOVWNAKNGZILZ-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000020040571 538930286 /nfs/dbraw/zinc/93/02/86/538930286.db2.gz AWOVWNAKNGZILZ-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000020040727 169370445 /nfs/dbraw/zinc/37/04/45/169370445.db2.gz ASTOYQMWSBMLPM-MRVPVSSYSA-N 1 0 217.765 3.680 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000020040730 538930285 /nfs/dbraw/zinc/93/02/85/538930285.db2.gz ASTOYQMWSBMLPM-QMMMGPOBSA-N 1 0 217.765 3.680 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000020040763 169370876 /nfs/dbraw/zinc/37/08/76/169370876.db2.gz CRNPLFPFHQQYHT-SNVBAGLBSA-N 1 0 211.374 3.589 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000020040765 169493755 /nfs/dbraw/zinc/49/37/55/169493755.db2.gz CRNPLFPFHQQYHT-JTQLQIEISA-N 1 0 211.374 3.589 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC000020047111 385282141 /nfs/dbraw/zinc/28/21/41/385282141.db2.gz DSNGEZLVVLVCCE-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(Cl)s1 ZINC000020047186 590069896 /nfs/dbraw/zinc/06/98/96/590069896.db2.gz VFCRVXXBIJOVGY-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CCc1ccc(C[NH2+]CCc2ccccc2)s1 ZINC000020050761 387585009 /nfs/dbraw/zinc/58/50/09/387585009.db2.gz GQVGVMJPDIYPAP-UHFFFAOYSA-N 1 0 245.391 3.643 20 0 BHADRO Fc1ccccc1C[NH2+]CCCc1ccccc1 ZINC000020053090 323084421 /nfs/dbraw/zinc/08/44/21/323084421.db2.gz IAKWFMGUIXAZKP-UHFFFAOYSA-N 1 0 243.325 3.548 20 0 BHADRO Cc1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000020054856 178605928 /nfs/dbraw/zinc/60/59/28/178605928.db2.gz FWBOBKIRZAJRFA-UHFFFAOYSA-N 1 0 239.362 3.717 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)cc2)s1 ZINC000020054911 712626646 /nfs/dbraw/zinc/62/66/46/712626646.db2.gz PJGOEBHPCDMROB-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(F)c(Cl)c1 ZINC000020078383 590071051 /nfs/dbraw/zinc/07/10/51/590071051.db2.gz RCUSXRICRGBPDR-MRVPVSSYSA-N 1 0 227.710 3.540 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(F)c(Cl)c1 ZINC000020078385 176838682 /nfs/dbraw/zinc/83/86/82/176838682.db2.gz RCUSXRICRGBPDR-QMMMGPOBSA-N 1 0 227.710 3.540 20 0 BHADRO CCCCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000020082950 259387736 /nfs/dbraw/zinc/38/77/36/259387736.db2.gz DKGVARQRLPPAAZ-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC(C)COc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000020082993 259387686 /nfs/dbraw/zinc/38/76/86/259387686.db2.gz XSHBMFQOKVROCF-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)COc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000020082996 259387855 /nfs/dbraw/zinc/38/78/55/259387855.db2.gz XSHBMFQOKVROCF-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000020083051 169399782 /nfs/dbraw/zinc/39/97/82/169399782.db2.gz PDVZAGQOVHLMOO-CYBMUJFWSA-N 1 0 223.747 3.933 20 0 BHADRO CCC[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000020083054 347406672 /nfs/dbraw/zinc/40/66/72/347406672.db2.gz PDVZAGQOVHLMOO-ZDUSSCGKSA-N 1 0 223.747 3.933 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1cccs1 ZINC000020084050 633808692 /nfs/dbraw/zinc/80/86/92/633808692.db2.gz WWDQUQYUEYBHKJ-LLVKDONJSA-N 1 0 221.325 3.582 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1cccs1 ZINC000020084053 633808269 /nfs/dbraw/zinc/80/82/69/633808269.db2.gz WWDQUQYUEYBHKJ-NSHDSACASA-N 1 0 221.325 3.582 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)c1ccc2c(c1)CCC2 ZINC000020084090 342968491 /nfs/dbraw/zinc/96/84/91/342968491.db2.gz RHMLEGPYSGWVQA-GFCCVEGCSA-N 1 0 241.334 3.619 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)c1ccc2c(c1)CCC2 ZINC000020084093 384575087 /nfs/dbraw/zinc/57/50/87/384575087.db2.gz RHMLEGPYSGWVQA-LBPRGKRZSA-N 1 0 241.334 3.619 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000020084369 169275784 /nfs/dbraw/zinc/27/57/84/169275784.db2.gz OBWLEHDBPRVMEO-JTQLQIEISA-N 1 0 233.311 3.502 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000020084372 169287275 /nfs/dbraw/zinc/28/72/75/169287275.db2.gz OBWLEHDBPRVMEO-SNVBAGLBSA-N 1 0 233.311 3.502 20 0 BHADRO c1cnc2c(c1)cccc2C[NH2+]C1CCCCC1 ZINC000020085361 183484086 /nfs/dbraw/zinc/48/40/86/183484086.db2.gz QUZPDHIXFIHAFD-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CCCCC2)c(C)s1 ZINC000020085392 180036105 /nfs/dbraw/zinc/03/61/05/180036105.db2.gz HXGMRYAMHPCIHM-SECBINFHSA-N 1 0 238.400 3.743 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CCCCC2)c(C)s1 ZINC000020085393 180048746 /nfs/dbraw/zinc/04/87/46/180048746.db2.gz HXGMRYAMHPCIHM-VIFPVBQESA-N 1 0 238.400 3.743 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2ccccc2o1 ZINC000020085449 259388199 /nfs/dbraw/zinc/38/81/99/259388199.db2.gz PDSJLHKAPKGOJR-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000020085451 168299086 /nfs/dbraw/zinc/29/90/86/168299086.db2.gz ZIBNIFUSIBHMPN-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO COCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000020085605 259388160 /nfs/dbraw/zinc/38/81/60/259388160.db2.gz ZDMVDKDKGBKPOF-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO COCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000020085606 259388363 /nfs/dbraw/zinc/38/83/63/259388363.db2.gz ZDMVDKDKGBKPOF-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020085668 259388037 /nfs/dbraw/zinc/38/80/37/259388037.db2.gz MRDGWEVWCSCILG-ZJUUUORDSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020085669 259388101 /nfs/dbraw/zinc/38/81/01/259388101.db2.gz MRDGWEVWCSCILG-UWVGGRQHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020085670 259388183 /nfs/dbraw/zinc/38/81/83/259388183.db2.gz MRDGWEVWCSCILG-NXEZZACHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020085671 259388385 /nfs/dbraw/zinc/38/83/85/259388385.db2.gz MRDGWEVWCSCILG-VHSXEESVSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020085672 170755982 /nfs/dbraw/zinc/75/59/82/170755982.db2.gz NWDVAPSDVASFFP-ZJUUUORDSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020085673 171346468 /nfs/dbraw/zinc/34/64/68/171346468.db2.gz NWDVAPSDVASFFP-UWVGGRQHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000020085674 347350055 /nfs/dbraw/zinc/35/00/55/347350055.db2.gz NWDVAPSDVASFFP-NXEZZACHSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000020085675 171347705 /nfs/dbraw/zinc/34/77/05/171347705.db2.gz NWDVAPSDVASFFP-VHSXEESVSA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020085730 170755749 /nfs/dbraw/zinc/75/57/49/170755749.db2.gz LHQJZPIIIVSRGP-SCZZXKLOSA-N 1 0 211.374 3.814 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020085732 171346197 /nfs/dbraw/zinc/34/61/97/171346197.db2.gz LHQJZPIIIVSRGP-WPRPVWTQSA-N 1 0 211.374 3.814 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000020085734 170757829 /nfs/dbraw/zinc/75/78/29/170757829.db2.gz LHQJZPIIIVSRGP-PSASIEDQSA-N 1 0 211.374 3.814 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000020085736 171347993 /nfs/dbraw/zinc/34/79/93/171347993.db2.gz LHQJZPIIIVSRGP-WCBMZHEXSA-N 1 0 211.374 3.814 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000020085802 347349526 /nfs/dbraw/zinc/34/95/26/347349526.db2.gz KYJNNWXSBCIJLW-MNOVXSKESA-N 1 0 247.338 3.891 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000020085804 171346653 /nfs/dbraw/zinc/34/66/53/171346653.db2.gz KYJNNWXSBCIJLW-QWRGUYRKSA-N 1 0 247.338 3.891 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000020085806 170757779 /nfs/dbraw/zinc/75/77/79/170757779.db2.gz KYJNNWXSBCIJLW-GHMZBOCLSA-N 1 0 247.338 3.891 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000020085808 171347788 /nfs/dbraw/zinc/34/77/88/171347788.db2.gz KYJNNWXSBCIJLW-WDEREUQCSA-N 1 0 247.338 3.891 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020085834 187257288 /nfs/dbraw/zinc/25/72/88/187257288.db2.gz CWZHOANIXACOBI-JTQLQIEISA-N 1 0 243.297 3.595 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020085836 167012968 /nfs/dbraw/zinc/01/29/68/167012968.db2.gz CWZHOANIXACOBI-SNVBAGLBSA-N 1 0 243.297 3.595 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020085838 187257490 /nfs/dbraw/zinc/25/74/90/187257490.db2.gz AJENVKWBFPCITC-JTQLQIEISA-N 1 0 243.297 3.595 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000020085840 167013724 /nfs/dbraw/zinc/01/37/24/167013724.db2.gz AJENVKWBFPCITC-SNVBAGLBSA-N 1 0 243.297 3.595 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)C)c(C)s1 ZINC000020085888 178245792 /nfs/dbraw/zinc/24/57/92/178245792.db2.gz KXMHYUWZUZWCRX-JTQLQIEISA-N 1 0 211.374 3.672 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)C)c(C)s1 ZINC000020085890 178221682 /nfs/dbraw/zinc/22/16/82/178221682.db2.gz KXMHYUWZUZWCRX-SNVBAGLBSA-N 1 0 211.374 3.672 20 0 BHADRO COc1cccc2cc([C@@H](C)[NH2+]CC(C)C)oc21 ZINC000020085912 175307737 /nfs/dbraw/zinc/30/77/37/175307737.db2.gz UKWYFGYCPZHVAK-LLVKDONJSA-N 1 0 247.338 3.748 20 0 BHADRO COc1cccc2cc([C@H](C)[NH2+]CC(C)C)oc21 ZINC000020085914 175307313 /nfs/dbraw/zinc/30/73/13/175307313.db2.gz UKWYFGYCPZHVAK-NSHDSACASA-N 1 0 247.338 3.748 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cccs1 ZINC000020085967 590073201 /nfs/dbraw/zinc/07/32/01/590073201.db2.gz PZLZOODMCUJVFQ-LLVKDONJSA-N 1 0 209.358 3.731 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cccs1 ZINC000020085969 590073132 /nfs/dbraw/zinc/07/31/32/590073132.db2.gz PZLZOODMCUJVFQ-NSHDSACASA-N 1 0 209.358 3.731 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCC2)c(C)s1 ZINC000020085991 178223178 /nfs/dbraw/zinc/22/31/78/178223178.db2.gz NBIWUEDOUATWJR-SNVBAGLBSA-N 1 0 223.385 3.958 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCCC2)c(C)s1 ZINC000020085993 178245192 /nfs/dbraw/zinc/24/51/92/178245192.db2.gz NBIWUEDOUATWJR-JTQLQIEISA-N 1 0 223.385 3.958 20 0 BHADRO Fc1ccc(-c2ccc(C[NH2+]CC3CC3)o2)cc1 ZINC000020086194 259388326 /nfs/dbraw/zinc/38/83/26/259388326.db2.gz RYUCXFIKFLZLQS-UHFFFAOYSA-N 1 0 245.297 3.585 20 0 BHADRO c1c2ccccc2oc1C[NH2+]Cc1ccccc1 ZINC000020086566 387072574 /nfs/dbraw/zinc/07/25/74/387072574.db2.gz IKILGMVIFVONMO-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000020086570 385412908 /nfs/dbraw/zinc/41/29/08/385412908.db2.gz OKHSZDQBLOGAGC-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000020086599 590072910 /nfs/dbraw/zinc/07/29/10/590072910.db2.gz SRWSVIAJBKBVDA-CYBMUJFWSA-N 1 0 231.364 3.989 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000020086601 590073188 /nfs/dbraw/zinc/07/31/88/590073188.db2.gz SRWSVIAJBKBVDA-ZDUSSCGKSA-N 1 0 231.364 3.989 20 0 BHADRO CCCCC[NH2+]Cc1cccc2cccnc21 ZINC000020086745 356997588 /nfs/dbraw/zinc/99/75/88/356997588.db2.gz XFAMBVPWPJSUPG-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020086807 537799495 /nfs/dbraw/zinc/79/94/95/537799495.db2.gz KXYOPULMIHJNPD-VIFPVBQESA-N 1 0 226.389 3.601 20 0 BHADRO CCCCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000020086809 538930540 /nfs/dbraw/zinc/93/05/40/538930540.db2.gz KXYOPULMIHJNPD-SECBINFHSA-N 1 0 226.389 3.601 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020086988 357283204 /nfs/dbraw/zinc/28/32/04/357283204.db2.gz VMJVQKKHVFRSPA-LLVKDONJSA-N 1 0 217.312 3.711 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020086990 357283452 /nfs/dbraw/zinc/28/34/52/357283452.db2.gz VMJVQKKHVFRSPA-NSHDSACASA-N 1 0 217.312 3.711 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000020086996 169370491 /nfs/dbraw/zinc/37/04/91/169370491.db2.gz BUJJLPHZDGDLHE-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000020086998 384573739 /nfs/dbraw/zinc/57/37/39/384573739.db2.gz BUJJLPHZDGDLHE-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000020087024 347405458 /nfs/dbraw/zinc/40/54/58/347405458.db2.gz APMDSAJCFXVOFZ-LLVKDONJSA-N 1 0 223.385 3.687 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000020087026 370572092 /nfs/dbraw/zinc/57/20/92/370572092.db2.gz APMDSAJCFXVOFZ-NSHDSACASA-N 1 0 223.385 3.687 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000020087080 259395566 /nfs/dbraw/zinc/39/55/66/259395566.db2.gz BDYGCRMFVVYWMO-MNOVXSKESA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000020087082 259395710 /nfs/dbraw/zinc/39/57/10/259395710.db2.gz BDYGCRMFVVYWMO-QWRGUYRKSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000020087084 259395591 /nfs/dbraw/zinc/39/55/91/259395591.db2.gz BDYGCRMFVVYWMO-GHMZBOCLSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000020087086 259395589 /nfs/dbraw/zinc/39/55/89/259395589.db2.gz BDYGCRMFVVYWMO-WDEREUQCSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020087168 538930523 /nfs/dbraw/zinc/93/05/23/538930523.db2.gz NVCGVPVCRBWCMZ-BDAKNGLRSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020087170 538930483 /nfs/dbraw/zinc/93/04/83/538930483.db2.gz NVCGVPVCRBWCMZ-IUCAKERBSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000020087172 538930526 /nfs/dbraw/zinc/93/05/26/538930526.db2.gz NVCGVPVCRBWCMZ-RKDXNWHRSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000020087174 538930426 /nfs/dbraw/zinc/93/04/26/538930426.db2.gz NVCGVPVCRBWCMZ-DTWKUNHWSA-N 1 0 226.389 3.599 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020088065 385299752 /nfs/dbraw/zinc/29/97/52/385299752.db2.gz TWYNPIOMGPSKGO-JTQLQIEISA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020088067 385300646 /nfs/dbraw/zinc/30/06/46/385300646.db2.gz TWYNPIOMGPSKGO-SNVBAGLBSA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020088069 168873853 /nfs/dbraw/zinc/87/38/53/168873853.db2.gz MRTJOYIBRWNHMA-JTQLQIEISA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000020088071 385300020 /nfs/dbraw/zinc/30/00/20/385300020.db2.gz MRTJOYIBRWNHMA-SNVBAGLBSA-N 1 0 243.297 3.739 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020088115 259388033 /nfs/dbraw/zinc/38/80/33/259388033.db2.gz IEFYEEUEVJVCER-JTQLQIEISA-N 1 0 211.374 3.816 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000020088117 259395584 /nfs/dbraw/zinc/39/55/84/259395584.db2.gz IEFYEEUEVJVCER-SNVBAGLBSA-N 1 0 211.374 3.816 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000020088147 259388185 /nfs/dbraw/zinc/38/81/85/259388185.db2.gz GCFRPNHRELJFFY-NSHDSACASA-N 1 0 247.338 3.892 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000020088149 259388190 /nfs/dbraw/zinc/38/81/90/259388190.db2.gz GCFRPNHRELJFFY-LLVKDONJSA-N 1 0 247.338 3.892 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1cccs1 ZINC000020088713 634293217 /nfs/dbraw/zinc/29/32/17/634293217.db2.gz JMARPCRQKPRRJX-LLVKDONJSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1cccs1 ZINC000020088715 633808444 /nfs/dbraw/zinc/80/84/44/633808444.db2.gz JMARPCRQKPRRJX-NSHDSACASA-N 1 0 211.374 3.835 20 0 BHADRO CCCC1CCC([NH2+]CCc2ccccn2)CC1 ZINC000020089239 590073327 /nfs/dbraw/zinc/07/33/27/590073327.db2.gz VIRXUNAYBACFTK-UHFFFAOYSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCc1ccccn1 ZINC000020089299 259388219 /nfs/dbraw/zinc/38/82/19/259388219.db2.gz JWDKOQHKEQCQDS-UHFFFAOYSA-N 1 0 248.414 3.675 20 0 BHADRO C[C@@H](C[NH2+]CCc1cccs1)c1ccccc1 ZINC000020091066 175731632 /nfs/dbraw/zinc/73/16/32/175731632.db2.gz LWISTEPWFXCSLT-ZDUSSCGKSA-N 1 0 245.391 3.684 20 0 BHADRO C[C@H](C[NH2+]CCc1cccs1)c1ccccc1 ZINC000020091068 590072830 /nfs/dbraw/zinc/07/28/30/590072830.db2.gz LWISTEPWFXCSLT-CYBMUJFWSA-N 1 0 245.391 3.684 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccccn2)CC1 ZINC000020091640 590073419 /nfs/dbraw/zinc/07/34/19/590073419.db2.gz FGGJAJBWJUFUPY-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccccn1 ZINC000020091720 259388384 /nfs/dbraw/zinc/38/83/84/259388384.db2.gz HKHSIAUELJNXIW-UHFFFAOYSA-N 1 0 234.387 3.632 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccn2)c(C)s1 ZINC000020091730 178229828 /nfs/dbraw/zinc/22/98/28/178229828.db2.gz YNHZLMZADGYSAY-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccccn2)c(C)s1 ZINC000020091732 178252196 /nfs/dbraw/zinc/25/21/96/178252196.db2.gz YNHZLMZADGYSAY-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccccn1 ZINC000020093663 384573804 /nfs/dbraw/zinc/57/38/04/384573804.db2.gz UTZNXGDEKIBZNO-CYBMUJFWSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccccn1 ZINC000020093665 384575060 /nfs/dbraw/zinc/57/50/60/384575060.db2.gz UTZNXGDEKIBZNO-ZDUSSCGKSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccncc1 ZINC000020093667 384573194 /nfs/dbraw/zinc/57/31/94/384573194.db2.gz VUJDVUKOJRVFEC-CYBMUJFWSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccncc1 ZINC000020093669 384575080 /nfs/dbraw/zinc/57/50/80/384575080.db2.gz VUJDVUKOJRVFEC-ZDUSSCGKSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1cccnc1 ZINC000020093671 384575303 /nfs/dbraw/zinc/57/53/03/384575303.db2.gz BLYBMTKJWUNOSH-CYBMUJFWSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1cccnc1 ZINC000020093673 384574165 /nfs/dbraw/zinc/57/41/65/384574165.db2.gz BLYBMTKJWUNOSH-ZDUSSCGKSA-N 1 0 230.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccco1 ZINC000020093683 259388395 /nfs/dbraw/zinc/38/83/95/259388395.db2.gz ZMGNTFOQOUMYKE-GFCCVEGCSA-N 1 0 219.328 3.821 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccco1 ZINC000020093685 259388133 /nfs/dbraw/zinc/38/81/33/259388133.db2.gz ZMGNTFOQOUMYKE-LBPRGKRZSA-N 1 0 219.328 3.821 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1cccc(O)c1 ZINC000020093710 259388386 /nfs/dbraw/zinc/38/83/86/259388386.db2.gz RCUVFTKCLNQRHU-CYBMUJFWSA-N 1 0 245.366 3.933 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1cccc(O)c1 ZINC000020093712 259388030 /nfs/dbraw/zinc/38/80/30/259388030.db2.gz RCUVFTKCLNQRHU-ZDUSSCGKSA-N 1 0 245.366 3.933 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000020095330 385300555 /nfs/dbraw/zinc/30/05/55/385300555.db2.gz WGBMBGQABYITQK-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000020095332 385300227 /nfs/dbraw/zinc/30/02/27/385300227.db2.gz WGBMBGQABYITQK-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020095333 179284743 /nfs/dbraw/zinc/28/47/43/179284743.db2.gz LNDDVJZWZFSMPN-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020095335 179282228 /nfs/dbraw/zinc/28/22/28/179282228.db2.gz LNDDVJZWZFSMPN-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000020095340 179099507 /nfs/dbraw/zinc/09/95/07/179099507.db2.gz PAUVCXZSCNLUOS-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000020095342 179097201 /nfs/dbraw/zinc/09/72/01/179097201.db2.gz PAUVCXZSCNLUOS-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000020095372 347349794 /nfs/dbraw/zinc/34/97/94/347349794.db2.gz YQSGFVKCCQCYBC-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000020095374 385299870 /nfs/dbraw/zinc/29/98/70/385299870.db2.gz YQSGFVKCCQCYBC-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000020095376 371229968 /nfs/dbraw/zinc/22/99/68/371229968.db2.gz RKRSQIJJFHTXKS-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000020095377 371229762 /nfs/dbraw/zinc/22/97/62/371229762.db2.gz RKRSQIJJFHTXKS-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1 ZINC000020095387 356997520 /nfs/dbraw/zinc/99/75/20/356997520.db2.gz FWDCWLAJXMRTDH-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1 ZINC000020095389 387071495 /nfs/dbraw/zinc/07/14/95/387071495.db2.gz FWDCWLAJXMRTDH-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095495 342969266 /nfs/dbraw/zinc/96/92/66/342969266.db2.gz FISYVHKLJZWDIN-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095497 384574064 /nfs/dbraw/zinc/57/40/64/384574064.db2.gz FISYVHKLJZWDIN-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095499 342969395 /nfs/dbraw/zinc/96/93/95/342969395.db2.gz FISYVHKLJZWDIN-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccn1 ZINC000020095501 176914697 /nfs/dbraw/zinc/91/46/97/176914697.db2.gz FISYVHKLJZWDIN-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095509 342969145 /nfs/dbraw/zinc/96/91/45/342969145.db2.gz AHRSTYBHITWVMD-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095511 384575327 /nfs/dbraw/zinc/57/53/27/384575327.db2.gz AHRSTYBHITWVMD-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095513 342969127 /nfs/dbraw/zinc/96/91/27/342969127.db2.gz AHRSTYBHITWVMD-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1cccnc1 ZINC000020095515 342969302 /nfs/dbraw/zinc/96/93/02/342969302.db2.gz AHRSTYBHITWVMD-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020095614 259395573 /nfs/dbraw/zinc/39/55/73/259395573.db2.gz RJEOOSAOCITHCR-MNOVXSKESA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020095617 259395662 /nfs/dbraw/zinc/39/56/62/259395662.db2.gz RJEOOSAOCITHCR-QWRGUYRKSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020095619 259395568 /nfs/dbraw/zinc/39/55/68/259395568.db2.gz RJEOOSAOCITHCR-GHMZBOCLSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020095621 259388084 /nfs/dbraw/zinc/38/80/84/259388084.db2.gz RJEOOSAOCITHCR-WDEREUQCSA-N 1 0 209.308 3.521 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020095941 259395870 /nfs/dbraw/zinc/39/58/70/259395870.db2.gz OUCIDOSXOIJOHI-MNOVXSKESA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020095943 259388330 /nfs/dbraw/zinc/38/83/30/259388330.db2.gz OUCIDOSXOIJOHI-QWRGUYRKSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020095945 259388105 /nfs/dbraw/zinc/38/81/05/259388105.db2.gz OUCIDOSXOIJOHI-GHMZBOCLSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020095946 259388374 /nfs/dbraw/zinc/38/83/74/259388374.db2.gz OUCIDOSXOIJOHI-WDEREUQCSA-N 1 0 209.308 3.522 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000020096632 175344726 /nfs/dbraw/zinc/34/47/26/175344726.db2.gz CIAGHWQIDRNZMS-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]Cc1cccs1 ZINC000020096634 175352418 /nfs/dbraw/zinc/35/24/18/175352418.db2.gz CIAGHWQIDRNZMS-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000020096652 175345283 /nfs/dbraw/zinc/34/52/83/175345283.db2.gz PBOOFJIUNWYCRC-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000020096654 175352641 /nfs/dbraw/zinc/35/26/41/175352641.db2.gz PBOOFJIUNWYCRC-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000020097021 259388242 /nfs/dbraw/zinc/38/82/42/259388242.db2.gz REUFYIXIVNYYCU-KGLIPLIRSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000020097023 259388357 /nfs/dbraw/zinc/38/83/57/259388357.db2.gz REUFYIXIVNYYCU-KBPBESRZSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000020097025 259388257 /nfs/dbraw/zinc/38/82/57/259388257.db2.gz REUFYIXIVNYYCU-ZIAGYGMSSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000020097027 259388157 /nfs/dbraw/zinc/38/81/57/259388157.db2.gz REUFYIXIVNYYCU-UONOGXRCSA-N 1 0 245.366 3.702 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccncc2)c(C)c1 ZINC000020120930 342969752 /nfs/dbraw/zinc/96/97/52/342969752.db2.gz OCRXCPWHDBTTGB-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccncc2)c(C)c1 ZINC000020120932 342969731 /nfs/dbraw/zinc/96/97/31/342969731.db2.gz OCRXCPWHDBTTGB-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000020121031 168521135 /nfs/dbraw/zinc/52/11/35/168521135.db2.gz CHOQPFUQIBRFQK-OPFPJEHXSA-N 1 0 232.371 3.701 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000020121032 356997548 /nfs/dbraw/zinc/99/75/48/356997548.db2.gz CHOQPFUQIBRFQK-DNOWBOINSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccncc1 ZINC000020121053 259388903 /nfs/dbraw/zinc/38/89/03/259388903.db2.gz YYHMRGLHGXBWKN-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000020121058 259388634 /nfs/dbraw/zinc/38/86/34/259388634.db2.gz YYHMRGLHGXBWKN-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121184 384577340 /nfs/dbraw/zinc/57/73/40/384577340.db2.gz ODVKDLGVKJUOIK-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000020121185 342969841 /nfs/dbraw/zinc/96/98/41/342969841.db2.gz ODVKDLGVKJUOIK-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121186 384577182 /nfs/dbraw/zinc/57/71/82/384577182.db2.gz ODVKDLGVKJUOIK-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000020121187 384578940 /nfs/dbraw/zinc/57/89/40/384578940.db2.gz ODVKDLGVKJUOIK-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000020121188 342969858 /nfs/dbraw/zinc/96/98/58/342969858.db2.gz XFKJBNQBIDIVJJ-XJKSGUPXSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000020121189 342969839 /nfs/dbraw/zinc/96/98/39/342969839.db2.gz XFKJBNQBIDIVJJ-BBRMVZONSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000020121190 342969832 /nfs/dbraw/zinc/96/98/32/342969832.db2.gz XFKJBNQBIDIVJJ-CZUORRHYSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000020121191 342969642 /nfs/dbraw/zinc/96/96/42/342969642.db2.gz XFKJBNQBIDIVJJ-CJNGLKHVSA-N 1 0 240.350 3.884 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccncc1 ZINC000020121230 342969742 /nfs/dbraw/zinc/96/97/42/342969742.db2.gz CBXGBLIELVJTFW-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000020121231 384578381 /nfs/dbraw/zinc/57/83/81/384578381.db2.gz CBXGBLIELVJTFW-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1cccs1 ZINC000020121232 342969749 /nfs/dbraw/zinc/96/97/49/342969749.db2.gz CBXGBLIELVJTFW-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000020121233 342969691 /nfs/dbraw/zinc/96/96/91/342969691.db2.gz CBXGBLIELVJTFW-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccncc1 ZINC000020121514 175899754 /nfs/dbraw/zinc/89/97/54/175899754.db2.gz YFAFSPXOERESFS-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccncc1 ZINC000020121515 387075507 /nfs/dbraw/zinc/07/55/07/387075507.db2.gz YFAFSPXOERESFS-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020121542 166894609 /nfs/dbraw/zinc/89/46/09/166894609.db2.gz YJUNUDAYCHQFKS-OLZOCXBDSA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020121544 342969820 /nfs/dbraw/zinc/96/98/20/342969820.db2.gz YJUNUDAYCHQFKS-STQMWFEESA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020121546 384577729 /nfs/dbraw/zinc/57/77/29/384577729.db2.gz YJUNUDAYCHQFKS-CHWSQXEVSA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020121548 166907102 /nfs/dbraw/zinc/90/71/02/166907102.db2.gz YJUNUDAYCHQFKS-QWHCGFSZSA-N 1 0 220.360 3.557 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)s1 ZINC000020121597 590076861 /nfs/dbraw/zinc/07/68/61/590076861.db2.gz KAEBYDSWGFRGRH-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)s1 ZINC000020121598 590076797 /nfs/dbraw/zinc/07/67/97/590076797.db2.gz KAEBYDSWGFRGRH-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)s1 ZINC000020121599 590076852 /nfs/dbraw/zinc/07/68/52/590076852.db2.gz KAEBYDSWGFRGRH-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)s1 ZINC000020121601 590076859 /nfs/dbraw/zinc/07/68/59/590076859.db2.gz KAEBYDSWGFRGRH-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020121776 342969825 /nfs/dbraw/zinc/96/98/25/342969825.db2.gz IMFFVVUOLMDHEU-OLZOCXBDSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020121778 342969542 /nfs/dbraw/zinc/96/95/42/342969542.db2.gz IMFFVVUOLMDHEU-STQMWFEESA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020121779 342969681 /nfs/dbraw/zinc/96/96/81/342969681.db2.gz IMFFVVUOLMDHEU-CHWSQXEVSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020121780 342969801 /nfs/dbraw/zinc/96/98/01/342969801.db2.gz IMFFVVUOLMDHEU-QWHCGFSZSA-N 1 0 220.360 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000020121781 351932845 /nfs/dbraw/zinc/93/28/45/351932845.db2.gz KVGOWXFZQHAICO-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000020121783 351932795 /nfs/dbraw/zinc/93/27/95/351932795.db2.gz KVGOWXFZQHAICO-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1cccs1 ZINC000020121785 351932691 /nfs/dbraw/zinc/93/26/91/351932691.db2.gz KVGOWXFZQHAICO-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1cccs1 ZINC000020121787 351932574 /nfs/dbraw/zinc/93/25/74/351932574.db2.gz KVGOWXFZQHAICO-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000020121949 347408398 /nfs/dbraw/zinc/40/83/98/347408398.db2.gz IDLLJDYBPKEPRP-ZJUUUORDSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000020121950 385416649 /nfs/dbraw/zinc/41/66/49/385416649.db2.gz IDLLJDYBPKEPRP-UWVGGRQHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000020121951 175920023 /nfs/dbraw/zinc/92/00/23/175920023.db2.gz IDLLJDYBPKEPRP-NXEZZACHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000020121952 347408411 /nfs/dbraw/zinc/40/84/11/347408411.db2.gz IDLLJDYBPKEPRP-VHSXEESVSA-N 1 0 223.747 3.789 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000020122027 175487369 /nfs/dbraw/zinc/48/73/69/175487369.db2.gz WTZNGBWEHSQQQV-JTQLQIEISA-N 1 0 243.803 3.744 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000020122028 175487428 /nfs/dbraw/zinc/48/74/28/175487428.db2.gz WTZNGBWEHSQQQV-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122488 323311314 /nfs/dbraw/zinc/31/13/14/323311314.db2.gz MPEJECYCJKPOCQ-CYBMUJFWSA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122489 590076587 /nfs/dbraw/zinc/07/65/87/590076587.db2.gz MPEJECYCJKPOCQ-ZDUSSCGKSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122526 170772510 /nfs/dbraw/zinc/77/25/10/170772510.db2.gz IVIGAQLMAMRJLS-CHWSQXEVSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122527 171365030 /nfs/dbraw/zinc/36/50/30/171365030.db2.gz IVIGAQLMAMRJLS-QWHCGFSZSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122528 590076309 /nfs/dbraw/zinc/07/63/09/590076309.db2.gz IVIGAQLMAMRJLS-OLZOCXBDSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122529 171388737 /nfs/dbraw/zinc/38/87/37/171388737.db2.gz IVIGAQLMAMRJLS-STQMWFEESA-N 1 0 244.382 3.735 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccco1 ZINC000020122564 259389181 /nfs/dbraw/zinc/38/91/81/259389181.db2.gz ZLNASESORABWOE-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccco1 ZINC000020122565 259389278 /nfs/dbraw/zinc/38/92/78/259389278.db2.gz ZLNASESORABWOE-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1ccco1 ZINC000020122623 384577426 /nfs/dbraw/zinc/57/74/26/384577426.db2.gz ARXAEJJXRLIAMN-LLVKDONJSA-N 1 0 207.317 3.653 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1ccco1 ZINC000020122624 384577555 /nfs/dbraw/zinc/57/75/55/384577555.db2.gz ARXAEJJXRLIAMN-NSHDSACASA-N 1 0 207.317 3.653 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(O)c1 ZINC000020122637 385307114 /nfs/dbraw/zinc/30/71/14/385307114.db2.gz CTAAPWSCWFZIAT-GFCCVEGCSA-N 1 0 233.355 3.766 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1cccc(O)c1 ZINC000020122638 385307674 /nfs/dbraw/zinc/30/76/74/385307674.db2.gz CTAAPWSCWFZIAT-LBPRGKRZSA-N 1 0 233.355 3.766 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccco1 ZINC000020122723 259389199 /nfs/dbraw/zinc/38/91/99/259389199.db2.gz DTFMNYGYKGOYBY-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1)c1ccco1 ZINC000020122724 259389092 /nfs/dbraw/zinc/38/90/92/259389092.db2.gz DTFMNYGYKGOYBY-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccccc2)o1 ZINC000020122727 259389432 /nfs/dbraw/zinc/38/94/32/259389432.db2.gz OJVIMOAPNIGGTA-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCc2ccccc2)o1 ZINC000020122728 259389108 /nfs/dbraw/zinc/38/91/08/259389108.db2.gz OJVIMOAPNIGGTA-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cccs1 ZINC000020122878 384579011 /nfs/dbraw/zinc/57/90/11/384579011.db2.gz MQNMFWWIIFNOGO-LLVKDONJSA-N 1 0 211.374 3.662 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cccs1 ZINC000020122879 342969773 /nfs/dbraw/zinc/96/97/73/342969773.db2.gz MQNMFWWIIFNOGO-NSHDSACASA-N 1 0 211.374 3.662 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccsc1 ZINC000020122884 590076712 /nfs/dbraw/zinc/07/67/12/590076712.db2.gz FQYAOUHVIACFLT-LLVKDONJSA-N 1 0 211.374 3.662 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccsc1 ZINC000020122885 166905599 /nfs/dbraw/zinc/90/55/99/166905599.db2.gz FQYAOUHVIACFLT-NSHDSACASA-N 1 0 211.374 3.662 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000020122932 259389152 /nfs/dbraw/zinc/38/91/52/259389152.db2.gz CIAUNGIEGJVNFE-OLZOCXBDSA-N 1 0 235.371 3.868 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000020122933 259388446 /nfs/dbraw/zinc/38/84/46/259388446.db2.gz CIAUNGIEGJVNFE-STQMWFEESA-N 1 0 235.371 3.868 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000020122934 259388927 /nfs/dbraw/zinc/38/89/27/259388927.db2.gz CIAUNGIEGJVNFE-CHWSQXEVSA-N 1 0 235.371 3.868 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000020122935 259388644 /nfs/dbraw/zinc/38/86/44/259388644.db2.gz CIAUNGIEGJVNFE-QWHCGFSZSA-N 1 0 235.371 3.868 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccn2)c(C)c1 ZINC000020123179 342969532 /nfs/dbraw/zinc/96/95/32/342969532.db2.gz OBLACSPANQZYOC-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccn2)c(C)c1 ZINC000020123180 342969792 /nfs/dbraw/zinc/96/97/92/342969792.db2.gz OBLACSPANQZYOC-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000020123237 168521621 /nfs/dbraw/zinc/52/16/21/168521621.db2.gz VRDJEBQNEUSNEI-HSBZDZAISA-N 1 0 232.371 3.701 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000020123238 342970135 /nfs/dbraw/zinc/97/01/35/342970135.db2.gz VRDJEBQNEUSNEI-IYXRBSQSSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccccn1 ZINC000020123251 259388837 /nfs/dbraw/zinc/38/88/37/259388837.db2.gz QDRBTRTWGNQTDX-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000020123253 259388630 /nfs/dbraw/zinc/38/86/30/259388630.db2.gz QDRBTRTWGNQTDX-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000020123320 342969963 /nfs/dbraw/zinc/96/99/63/342969963.db2.gz ASLSRONHRRSYSZ-DZGCQCFKSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000020123321 342969951 /nfs/dbraw/zinc/96/99/51/342969951.db2.gz ASLSRONHRRSYSZ-ZFWWWQNUSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000020123322 342970235 /nfs/dbraw/zinc/97/02/35/342970235.db2.gz ASLSRONHRRSYSZ-UKRRQHHQSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000020123323 342970050 /nfs/dbraw/zinc/97/00/50/342970050.db2.gz ASLSRONHRRSYSZ-HIFRSBDPSA-N 1 0 240.350 3.884 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccn1 ZINC000020123363 342970108 /nfs/dbraw/zinc/97/01/08/342970108.db2.gz IMJUOGQTARJTHP-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cccs1 ZINC000020123365 342970039 /nfs/dbraw/zinc/97/00/39/342970039.db2.gz IMJUOGQTARJTHP-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccs1 ZINC000020123366 342969983 /nfs/dbraw/zinc/96/99/83/342969983.db2.gz IMJUOGQTARJTHP-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H](N[C@@H](C)c1ccccc1F)c1ccccn1 ZINC000020123374 384577957 /nfs/dbraw/zinc/57/79/57/384577957.db2.gz VULMAAKATRUJRM-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccn1 ZINC000020123658 387075701 /nfs/dbraw/zinc/07/57/01/387075701.db2.gz OXSWZMUFUAFOLD-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccn1 ZINC000020123659 387074077 /nfs/dbraw/zinc/07/40/77/387074077.db2.gz OXSWZMUFUAFOLD-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123681 342970058 /nfs/dbraw/zinc/97/00/58/342970058.db2.gz KAUIIRYCWPQPHA-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123683 342970044 /nfs/dbraw/zinc/97/00/44/342970044.db2.gz KAUIIRYCWPQPHA-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccn1 ZINC000020123684 176915074 /nfs/dbraw/zinc/91/50/74/176915074.db2.gz KAUIIRYCWPQPHA-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000020123692 176377565 /nfs/dbraw/zinc/37/75/65/176377565.db2.gz CSJRZYHNNIAEPH-HZSPNIEDSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000020123696 387075378 /nfs/dbraw/zinc/07/53/78/387075378.db2.gz CSJRZYHNNIAEPH-RDBSUJKOSA-N 1 0 246.398 3.947 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1ccccn1 ZINC000020123698 342969949 /nfs/dbraw/zinc/96/99/49/342969949.db2.gz HGFNAXWEEIEASP-LBPRGKRZSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1ccccn1 ZINC000020123699 168583812 /nfs/dbraw/zinc/58/38/12/168583812.db2.gz HGFNAXWEEIEASP-GFCCVEGCSA-N 1 0 220.360 3.701 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020123703 342969942 /nfs/dbraw/zinc/96/99/42/342969942.db2.gz AQWPZKJPNCZKDL-STQMWFEESA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020123706 342970145 /nfs/dbraw/zinc/97/01/45/342970145.db2.gz AQWPZKJPNCZKDL-QWHCGFSZSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000020123728 538930499 /nfs/dbraw/zinc/93/04/99/538930499.db2.gz XXRQPBHOMCKFIU-HZSPNIEDSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1ccccn1 ZINC000020123729 259388667 /nfs/dbraw/zinc/38/86/67/259388667.db2.gz XXRQPBHOMCKFIU-MELADBBJSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000020123730 538930653 /nfs/dbraw/zinc/93/06/53/538930653.db2.gz XXRQPBHOMCKFIU-RDBSUJKOSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000020123732 259388841 /nfs/dbraw/zinc/38/88/41/259388841.db2.gz XXRQPBHOMCKFIU-IHRRRGAJSA-N 1 0 234.387 3.947 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020123907 590075681 /nfs/dbraw/zinc/07/56/81/590075681.db2.gz FLMJVINLFFTVKR-OLZOCXBDSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020123908 590075527 /nfs/dbraw/zinc/07/55/27/590075527.db2.gz FLMJVINLFFTVKR-STQMWFEESA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020123909 590075391 /nfs/dbraw/zinc/07/53/91/590075391.db2.gz FLMJVINLFFTVKR-CHWSQXEVSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020123910 590075886 /nfs/dbraw/zinc/07/58/86/590075886.db2.gz FLMJVINLFFTVKR-QWHCGFSZSA-N 1 0 220.360 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccs1 ZINC000020123911 538930619 /nfs/dbraw/zinc/93/06/19/538930619.db2.gz GPKOMNCVROEPMV-NWDGAFQWSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccs1 ZINC000020123912 538930506 /nfs/dbraw/zinc/93/05/06/538930506.db2.gz GPKOMNCVROEPMV-RYUDHWBXSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1cccs1 ZINC000020123913 590076351 /nfs/dbraw/zinc/07/63/51/590076351.db2.gz GPKOMNCVROEPMV-VXGBXAGGSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1cccs1 ZINC000020123914 590076289 /nfs/dbraw/zinc/07/62/89/590076289.db2.gz GPKOMNCVROEPMV-NEPJUHHUSA-N 1 0 246.379 3.945 20 0 BHADRO C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1Cl ZINC000020124000 356998655 /nfs/dbraw/zinc/99/86/55/356998655.db2.gz LENRVEXYSKMGEG-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccncc1)c1ccccc1Cl ZINC000020124001 387074578 /nfs/dbraw/zinc/07/45/78/387074578.db2.gz LENRVEXYSKMGEG-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C1CC1 ZINC000020124054 347407519 /nfs/dbraw/zinc/40/75/19/347407519.db2.gz CALGRPODBGDZNU-ZJUUUORDSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1Cl ZINC000020124055 385414995 /nfs/dbraw/zinc/41/49/95/385414995.db2.gz CALGRPODBGDZNU-UWVGGRQHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1Cl ZINC000020124056 347407045 /nfs/dbraw/zinc/40/70/45/347407045.db2.gz CALGRPODBGDZNU-NXEZZACHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1Cl ZINC000020124057 347407116 /nfs/dbraw/zinc/40/71/16/347407116.db2.gz CALGRPODBGDZNU-VHSXEESVSA-N 1 0 223.747 3.789 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000020124132 385414233 /nfs/dbraw/zinc/41/42/33/385414233.db2.gz KHMJCWRWVZVTOZ-JTQLQIEISA-N 1 0 243.803 3.744 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000020124133 385414363 /nfs/dbraw/zinc/41/43/63/385414363.db2.gz KHMJCWRWVZVTOZ-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO C[C@@H]([NH2+]Cc1ccncc1)c1cccc(Cl)c1 ZINC000020124182 356998584 /nfs/dbraw/zinc/99/85/84/356998584.db2.gz UKXRDHKJQWVVEF-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccncc1)c1cccc(Cl)c1 ZINC000020124183 387075644 /nfs/dbraw/zinc/07/56/44/387075644.db2.gz UKXRDHKJQWVVEF-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000020124244 347407563 /nfs/dbraw/zinc/40/75/63/347407563.db2.gz LDDURLGGYAGGHE-ZJUUUORDSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(Cl)c1 ZINC000020124245 385417375 /nfs/dbraw/zinc/41/73/75/385417375.db2.gz LDDURLGGYAGGHE-UWVGGRQHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(Cl)c1 ZINC000020124246 347407070 /nfs/dbraw/zinc/40/70/70/347407070.db2.gz LDDURLGGYAGGHE-NXEZZACHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(Cl)c1 ZINC000020124247 176913843 /nfs/dbraw/zinc/91/38/43/176913843.db2.gz LDDURLGGYAGGHE-VHSXEESVSA-N 1 0 223.747 3.789 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020124322 259395772 /nfs/dbraw/zinc/39/57/72/259395772.db2.gz QHSKFHFSYAUBLV-JTQLQIEISA-N 1 0 243.803 3.744 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000020124323 259395862 /nfs/dbraw/zinc/39/58/62/259395862.db2.gz QHSKFHFSYAUBLV-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ccccn1 ZINC000020124510 590076721 /nfs/dbraw/zinc/07/67/21/590076721.db2.gz ZWSGFIOSRVKYKF-UONOGXRCSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1ccccn1 ZINC000020124511 584906386 /nfs/dbraw/zinc/90/63/86/584906386.db2.gz ZWSGFIOSRVKYKF-KBPBESRZSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1ccccn1 ZINC000020124512 590076202 /nfs/dbraw/zinc/07/62/02/590076202.db2.gz ZWSGFIOSRVKYKF-ZIAGYGMSSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1ccccn1 ZINC000020124513 590076474 /nfs/dbraw/zinc/07/64/74/590076474.db2.gz ZWSGFIOSRVKYKF-KGLIPLIRSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ccncc1 ZINC000020124514 259388719 /nfs/dbraw/zinc/38/87/19/259388719.db2.gz XJLNJESQFAQCQH-UONOGXRCSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1ccncc1 ZINC000020124515 259388612 /nfs/dbraw/zinc/38/86/12/259388612.db2.gz XJLNJESQFAQCQH-KBPBESRZSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1ccncc1 ZINC000020124516 259388586 /nfs/dbraw/zinc/38/85/86/259388586.db2.gz XJLNJESQFAQCQH-ZIAGYGMSSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1ccncc1 ZINC000020124517 259388471 /nfs/dbraw/zinc/38/84/71/259388471.db2.gz XJLNJESQFAQCQH-KGLIPLIRSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1cccnc1 ZINC000020124518 259388875 /nfs/dbraw/zinc/38/88/75/259388875.db2.gz HIFXAQWLAXJSEV-UONOGXRCSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1cccnc1 ZINC000020124519 259388847 /nfs/dbraw/zinc/38/88/47/259388847.db2.gz HIFXAQWLAXJSEV-KBPBESRZSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1cccnc1 ZINC000020124520 259388491 /nfs/dbraw/zinc/38/84/91/259388491.db2.gz HIFXAQWLAXJSEV-ZIAGYGMSSA-N 1 0 234.387 3.949 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1cccnc1 ZINC000020124521 259388856 /nfs/dbraw/zinc/38/88/56/259388856.db2.gz HIFXAQWLAXJSEV-KGLIPLIRSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000020126078 179321843 /nfs/dbraw/zinc/32/18/43/179321843.db2.gz HYPUAUDWKJYPFQ-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000020126079 179339255 /nfs/dbraw/zinc/33/92/55/179339255.db2.gz HYPUAUDWKJYPFQ-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020126102 179321202 /nfs/dbraw/zinc/32/12/02/179321202.db2.gz PKYLWGSKHKLZHT-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020126103 179338447 /nfs/dbraw/zinc/33/84/47/179338447.db2.gz PKYLWGSKHKLZHT-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000020126124 179321065 /nfs/dbraw/zinc/32/10/65/179321065.db2.gz VLEFJSDGSVVKDV-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccs1 ZINC000020126125 179339036 /nfs/dbraw/zinc/33/90/36/179339036.db2.gz VLEFJSDGSVVKDV-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000020126126 342970577 /nfs/dbraw/zinc/97/05/77/342970577.db2.gz OTYBGTTZJPVUTR-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000020126127 342970542 /nfs/dbraw/zinc/97/05/42/342970542.db2.gz OTYBGTTZJPVUTR-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000020126134 179321547 /nfs/dbraw/zinc/32/15/47/179321547.db2.gz XRLNTDVHILXZBT-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000020126135 179339591 /nfs/dbraw/zinc/33/95/91/179339591.db2.gz XRLNTDVHILXZBT-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020126173 179339702 /nfs/dbraw/zinc/33/97/02/179339702.db2.gz MQJWVTONIASUGQ-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020126174 179323015 /nfs/dbraw/zinc/32/30/15/179323015.db2.gz MQJWVTONIASUGQ-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020126175 179320928 /nfs/dbraw/zinc/32/09/28/179320928.db2.gz MQJWVTONIASUGQ-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020126177 179339166 /nfs/dbraw/zinc/33/91/66/179339166.db2.gz LJPLFHBALFWYET-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020126178 179323395 /nfs/dbraw/zinc/32/33/95/179323395.db2.gz LJPLFHBALFWYET-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020126179 179320626 /nfs/dbraw/zinc/32/06/26/179320626.db2.gz LJPLFHBALFWYET-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020126181 179339565 /nfs/dbraw/zinc/33/95/65/179339565.db2.gz NSKVQTUVISSDSY-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020126182 179323329 /nfs/dbraw/zinc/32/33/29/179323329.db2.gz NSKVQTUVISSDSY-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020126183 179320868 /nfs/dbraw/zinc/32/08/68/179320868.db2.gz NSKVQTUVISSDSY-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000020126206 179323574 /nfs/dbraw/zinc/32/35/74/179323574.db2.gz AXHSXJFCUSWQPK-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000020126207 179321180 /nfs/dbraw/zinc/32/11/80/179321180.db2.gz AXHSXJFCUSWQPK-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000020126294 179322066 /nfs/dbraw/zinc/32/20/66/179322066.db2.gz YRAXVTWPPDZLHZ-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000020126295 179338158 /nfs/dbraw/zinc/33/81/58/179338158.db2.gz YRAXVTWPPDZLHZ-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccnc2)c(C)c1 ZINC000020127423 342970636 /nfs/dbraw/zinc/97/06/36/342970636.db2.gz CSRZZZVUJIPTGC-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccnc2)c(C)c1 ZINC000020127424 178623187 /nfs/dbraw/zinc/62/31/87/178623187.db2.gz CSRZZZVUJIPTGC-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000020127477 351936309 /nfs/dbraw/zinc/93/63/09/351936309.db2.gz MXULJLMTMHINGN-OPFPJEHXSA-N 1 0 232.371 3.701 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000020127478 351936043 /nfs/dbraw/zinc/93/60/43/351936043.db2.gz MXULJLMTMHINGN-DNOWBOINSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cccnc1 ZINC000020127491 385308504 /nfs/dbraw/zinc/30/85/04/385308504.db2.gz JNTJGAFDUNBXNZ-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cccnc1 ZINC000020127493 176832090 /nfs/dbraw/zinc/83/20/90/176832090.db2.gz JNTJGAFDUNBXNZ-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000020127550 384580968 /nfs/dbraw/zinc/58/09/68/384580968.db2.gz XKMYALNCGGHHBP-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000020127551 384582808 /nfs/dbraw/zinc/58/28/08/384582808.db2.gz XKMYALNCGGHHBP-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cc1 ZINC000020127552 384582774 /nfs/dbraw/zinc/58/27/74/384582774.db2.gz XKMYALNCGGHHBP-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)cc1 ZINC000020127553 384583488 /nfs/dbraw/zinc/58/34/88/384583488.db2.gz XKMYALNCGGHHBP-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000020127554 342970632 /nfs/dbraw/zinc/97/06/32/342970632.db2.gz QPILHDRQGCJMIC-XJKSGUPXSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000020127555 342970753 /nfs/dbraw/zinc/97/07/53/342970753.db2.gz QPILHDRQGCJMIC-BBRMVZONSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000020127556 342970436 /nfs/dbraw/zinc/97/04/36/342970436.db2.gz QPILHDRQGCJMIC-CZUORRHYSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000020127557 342970662 /nfs/dbraw/zinc/97/06/62/342970662.db2.gz QPILHDRQGCJMIC-CJNGLKHVSA-N 1 0 240.350 3.884 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccnc1 ZINC000020127585 342970735 /nfs/dbraw/zinc/97/07/35/342970735.db2.gz QQJWVXKCFKYJKS-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000020127586 384581714 /nfs/dbraw/zinc/58/17/14/384581714.db2.gz QQJWVXKCFKYJKS-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1cccs1 ZINC000020127587 342970518 /nfs/dbraw/zinc/97/05/18/342970518.db2.gz QQJWVXKCFKYJKS-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000020127588 342970653 /nfs/dbraw/zinc/97/06/53/342970653.db2.gz QQJWVXKCFKYJKS-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1cccnc1 ZINC000020127595 342970467 /nfs/dbraw/zinc/97/04/67/342970467.db2.gz PCCXYPBPPUXTFX-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1cccnc1 ZINC000020127596 384582592 /nfs/dbraw/zinc/58/25/92/384582592.db2.gz PCCXYPBPPUXTFX-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1cccnc1 ZINC000020127597 342970563 /nfs/dbraw/zinc/97/05/63/342970563.db2.gz PCCXYPBPPUXTFX-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1F ZINC000020127598 342970481 /nfs/dbraw/zinc/97/04/81/342970481.db2.gz PCCXYPBPPUXTFX-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1cccnc1 ZINC000020127825 356998858 /nfs/dbraw/zinc/99/88/58/356998858.db2.gz BMLQOENXRNLOEM-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1cccnc1 ZINC000020127826 387074505 /nfs/dbraw/zinc/07/45/05/387074505.db2.gz BMLQOENXRNLOEM-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000020127847 176378028 /nfs/dbraw/zinc/37/80/28/176378028.db2.gz HFBZBGMAECDJAK-VNHYZAJKSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000020127849 385777295 /nfs/dbraw/zinc/77/72/95/385777295.db2.gz HFBZBGMAECDJAK-IPYPFGDCSA-N 1 0 246.398 3.947 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1cccnc1 ZINC000020127851 342970527 /nfs/dbraw/zinc/97/05/27/342970527.db2.gz WRWBSGAVFJYASH-LBPRGKRZSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1cccnc1 ZINC000020127852 342970447 /nfs/dbraw/zinc/97/04/47/342970447.db2.gz WRWBSGAVFJYASH-GFCCVEGCSA-N 1 0 220.360 3.701 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020127853 384582011 /nfs/dbraw/zinc/58/20/11/384582011.db2.gz SAPVTHKYDIBPNS-OLZOCXBDSA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020127854 342970494 /nfs/dbraw/zinc/97/04/94/342970494.db2.gz SAPVTHKYDIBPNS-STQMWFEESA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020127855 384581903 /nfs/dbraw/zinc/58/19/03/384581903.db2.gz SAPVTHKYDIBPNS-CHWSQXEVSA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020127856 166906803 /nfs/dbraw/zinc/90/68/03/166906803.db2.gz SAPVTHKYDIBPNS-QWHCGFSZSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000020127873 259389244 /nfs/dbraw/zinc/38/92/44/259389244.db2.gz DQLWQTRGHGHGAM-VNHYZAJKSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1cccnc1 ZINC000020127874 259389100 /nfs/dbraw/zinc/38/91/00/259389100.db2.gz DQLWQTRGHGHGAM-KCQAQPDRSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000020127875 385308720 /nfs/dbraw/zinc/30/87/20/385308720.db2.gz DQLWQTRGHGHGAM-IPYPFGDCSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000020127876 259389355 /nfs/dbraw/zinc/38/93/55/259389355.db2.gz DQLWQTRGHGHGAM-YDHLFZDLSA-N 1 0 234.387 3.947 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000020127881 178897745 /nfs/dbraw/zinc/89/77/45/178897745.db2.gz IHLSZTAMSTZMKR-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000020127882 384581585 /nfs/dbraw/zinc/58/15/85/384581585.db2.gz IHLSZTAMSTZMKR-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000020127883 384580656 /nfs/dbraw/zinc/58/06/56/384580656.db2.gz IHLSZTAMSTZMKR-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000020127884 384580800 /nfs/dbraw/zinc/58/08/00/384580800.db2.gz IHLSZTAMSTZMKR-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020127999 342970593 /nfs/dbraw/zinc/97/05/93/342970593.db2.gz VMRNIIGEVJLXTR-OLZOCXBDSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020128000 342970516 /nfs/dbraw/zinc/97/05/16/342970516.db2.gz VMRNIIGEVJLXTR-STQMWFEESA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020128001 342970445 /nfs/dbraw/zinc/97/04/45/342970445.db2.gz VMRNIIGEVJLXTR-CHWSQXEVSA-N 1 0 220.360 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020128002 342970487 /nfs/dbraw/zinc/97/04/87/342970487.db2.gz VMRNIIGEVJLXTR-QWHCGFSZSA-N 1 0 220.360 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000020128003 356998728 /nfs/dbraw/zinc/99/87/28/356998728.db2.gz CQSIBPMVKGYBME-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000020128004 356998756 /nfs/dbraw/zinc/99/87/56/356998756.db2.gz CQSIBPMVKGYBME-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1cccs1 ZINC000020128005 356998410 /nfs/dbraw/zinc/99/84/10/356998410.db2.gz CQSIBPMVKGYBME-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)c1cccs1 ZINC000020128006 356998386 /nfs/dbraw/zinc/99/83/86/356998386.db2.gz CQSIBPMVKGYBME-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO CCC(CC)[NH2+]CCc1nc2ccccc2s1 ZINC000020128098 367968794 /nfs/dbraw/zinc/96/87/94/367968794.db2.gz CMWUNOVNQLKGMF-UHFFFAOYSA-N 1 0 248.395 3.617 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020129656 342970747 /nfs/dbraw/zinc/97/07/47/342970747.db2.gz GDVNBOUFLZVVGC-MRXNPFEDSA-N 1 0 241.309 3.603 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000020129660 179284519 /nfs/dbraw/zinc/28/45/19/179284519.db2.gz WLHUIWOEBGAQGB-QGZVFWFLSA-N 1 0 237.346 3.772 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020129680 342970477 /nfs/dbraw/zinc/97/04/77/342970477.db2.gz GSNQVATXQHLZNN-CQSZACIVSA-N 1 0 229.348 3.525 20 0 BHADRO c1csc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020129681 342970730 /nfs/dbraw/zinc/97/07/30/342970730.db2.gz GSNQVATXQHLZNN-AWEZNQCLSA-N 1 0 229.348 3.525 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000020129688 342970644 /nfs/dbraw/zinc/97/06/44/342970644.db2.gz LTIZFQQZQXPVCM-CQSZACIVSA-N 1 0 243.375 3.834 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCc3ccccc32)cs1 ZINC000020129692 384581282 /nfs/dbraw/zinc/58/12/82/384581282.db2.gz UXTHWIOIARECKC-CQSZACIVSA-N 1 0 229.348 3.525 20 0 BHADRO c1cc(C[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000020129693 384581046 /nfs/dbraw/zinc/58/10/46/384581046.db2.gz UXTHWIOIARECKC-AWEZNQCLSA-N 1 0 229.348 3.525 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccco1 ZINC000020129787 342971144 /nfs/dbraw/zinc/97/11/44/342971144.db2.gz SCHFMSABGUFSMY-BXUZGUMPSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccco1 ZINC000020129789 342971112 /nfs/dbraw/zinc/97/11/12/342971112.db2.gz SCHFMSABGUFSMY-SMDDNHRTSA-N 1 0 227.307 3.618 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000020129804 384580559 /nfs/dbraw/zinc/58/05/59/384580559.db2.gz SCJRQWKJJQJTBI-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000020129805 384581438 /nfs/dbraw/zinc/58/14/38/384581438.db2.gz SCJRQWKJJQJTBI-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)s1 ZINC000020130087 342971068 /nfs/dbraw/zinc/97/10/68/342971068.db2.gz ADOPGZDMBRXJNK-OAHLLOKOSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)s1 ZINC000020130090 342971039 /nfs/dbraw/zinc/97/10/39/342971039.db2.gz ADOPGZDMBRXJNK-HNNXBMFYSA-N 1 0 243.375 3.834 20 0 BHADRO Clc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000020130629 590077164 /nfs/dbraw/zinc/07/71/64/590077164.db2.gz GJBLTQZVEUYJLU-UHFFFAOYSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020130636 590077356 /nfs/dbraw/zinc/07/73/56/590077356.db2.gz MUXDAYNGQGFCTF-UHFFFAOYSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C(C2CC2)C2CC2)o1 ZINC000020130818 633807155 /nfs/dbraw/zinc/80/71/55/633807155.db2.gz PMBSNUIUMZBNEF-YGRLFVJLSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C(C2CC2)C2CC2)o1 ZINC000020130820 177351790 /nfs/dbraw/zinc/35/17/90/177351790.db2.gz PMBSNUIUMZBNEF-HZMBPMFUSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C(C2CC2)C2CC2)o1 ZINC000020130822 633806313 /nfs/dbraw/zinc/80/63/13/633806313.db2.gz PMBSNUIUMZBNEF-QMTHXVAHSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C(C2CC2)C2CC2)o1 ZINC000020130825 633805830 /nfs/dbraw/zinc/80/58/30/633805830.db2.gz PMBSNUIUMZBNEF-IINYFYTJSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C(C1CC1)C1CC1 ZINC000020130844 590077595 /nfs/dbraw/zinc/07/75/95/590077595.db2.gz BXYKNEXQUZKVJK-ZDUSSCGKSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C(C1CC1)C1CC1 ZINC000020130847 590077380 /nfs/dbraw/zinc/07/73/80/590077380.db2.gz BXYKNEXQUZKVJK-CYBMUJFWSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020130854 259389273 /nfs/dbraw/zinc/38/92/73/259389273.db2.gz FFRCRWJARAXSNS-LLVKDONJSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020130856 259389129 /nfs/dbraw/zinc/38/91/29/259389129.db2.gz FFRCRWJARAXSNS-NSHDSACASA-N 1 0 215.340 3.526 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020130872 175344970 /nfs/dbraw/zinc/34/49/70/175344970.db2.gz FHVVVNNYDVPOMN-LLVKDONJSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020130874 175351315 /nfs/dbraw/zinc/35/13/15/175351315.db2.gz FHVVVNNYDVPOMN-NSHDSACASA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccs1 ZINC000020130924 385416455 /nfs/dbraw/zinc/41/64/55/385416455.db2.gz ASOHLQBVYPHGFZ-SECBINFHSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cccs1 ZINC000020130927 176824134 /nfs/dbraw/zinc/82/41/34/176824134.db2.gz ASOHLQBVYPHGFZ-VIFPVBQESA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1F ZINC000020130935 259389447 /nfs/dbraw/zinc/38/94/47/259389447.db2.gz ZAUNWKLUOYOPGM-SNVBAGLBSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1F ZINC000020130939 259389445 /nfs/dbraw/zinc/38/94/45/259389445.db2.gz ZAUNWKLUOYOPGM-JTQLQIEISA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000020130950 259389128 /nfs/dbraw/zinc/38/91/28/259389128.db2.gz XZJCQMJFOAMEHD-SNVBAGLBSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000020130954 259389314 /nfs/dbraw/zinc/38/93/14/259389314.db2.gz XZJCQMJFOAMEHD-JTQLQIEISA-N 1 0 233.330 3.665 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020130988 187936101 /nfs/dbraw/zinc/93/61/01/187936101.db2.gz UUPPKJPPEQIOTN-LLVKDONJSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020130991 175188079 /nfs/dbraw/zinc/18/80/79/175188079.db2.gz UUPPKJPPEQIOTN-NSHDSACASA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131006 175286447 /nfs/dbraw/zinc/28/64/47/175286447.db2.gz XUVVMUBRFDACQD-LLVKDONJSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131010 175292336 /nfs/dbraw/zinc/29/23/36/175292336.db2.gz XUVVMUBRFDACQD-NSHDSACASA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020131117 259389113 /nfs/dbraw/zinc/38/91/13/259389113.db2.gz OWQLZXAITDGSLC-GFCCVEGCSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000020131119 259389336 /nfs/dbraw/zinc/38/93/36/259389336.db2.gz OWQLZXAITDGSLC-LBPRGKRZSA-N 1 0 229.367 3.834 20 0 BHADRO Clc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131267 590077562 /nfs/dbraw/zinc/07/75/62/590077562.db2.gz DBWIIZJNOWUSJE-UHFFFAOYSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc(F)c1 ZINC000020131302 259389453 /nfs/dbraw/zinc/38/94/53/259389453.db2.gz CDCDOKAOIWJKAN-SNVBAGLBSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc(F)c1 ZINC000020131306 259389449 /nfs/dbraw/zinc/38/94/49/259389449.db2.gz CDCDOKAOIWJKAN-JTQLQIEISA-N 1 0 233.330 3.665 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)s1 ZINC000020131332 259389097 /nfs/dbraw/zinc/38/90/97/259389097.db2.gz NOEJAIBUXCQBEO-SNVBAGLBSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)s1 ZINC000020131336 259389394 /nfs/dbraw/zinc/38/93/94/259389394.db2.gz NOEJAIBUXCQBEO-JTQLQIEISA-N 1 0 235.396 3.896 20 0 BHADRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020131388 590077591 /nfs/dbraw/zinc/07/75/91/590077591.db2.gz DYDPSVNSOJZXNL-LBPRGKRZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020131391 590077626 /nfs/dbraw/zinc/07/76/26/590077626.db2.gz DYDPSVNSOJZXNL-GFCCVEGCSA-N 1 0 229.367 3.568 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C(C1CC1)C1CC1 ZINC000020131397 183460197 /nfs/dbraw/zinc/46/01/97/183460197.db2.gz FEOOTILAFMXGCJ-UHFFFAOYSA-N 1 0 241.334 3.711 20 0 BHADRO Clc1ccc(C[NH2+]C(C2CC2)C2CC2)s1 ZINC000020131400 590077602 /nfs/dbraw/zinc/07/76/02/590077602.db2.gz RZBNQHAOMCNORE-UHFFFAOYSA-N 1 0 241.787 3.680 20 0 BHADRO CSc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020131423 590077585 /nfs/dbraw/zinc/07/75/85/590077585.db2.gz GIMMBTOGDKHJAF-UHFFFAOYSA-N 1 0 247.407 3.687 20 0 BHADRO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccs1 ZINC000020131468 259389137 /nfs/dbraw/zinc/38/91/37/259389137.db2.gz CCLZYMXISXNSOO-GFCCVEGCSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1cccs1 ZINC000020131472 259389114 /nfs/dbraw/zinc/38/91/14/259389114.db2.gz CCLZYMXISXNSOO-LBPRGKRZSA-N 1 0 235.396 3.977 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2ccccc2o1 ZINC000020132965 168390236 /nfs/dbraw/zinc/39/02/36/168390236.db2.gz GLLGBLXOMOJNHK-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc2cccnc21 ZINC000020132970 168390261 /nfs/dbraw/zinc/39/02/61/168390261.db2.gz XLYGGEZQTNAFIA-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(SC)cc1 ZINC000020132988 168390135 /nfs/dbraw/zinc/39/01/35/168390135.db2.gz OCTLAUQGCIJPKB-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1cccs1 ZINC000020133019 168390857 /nfs/dbraw/zinc/39/08/57/168390857.db2.gz LBBOBIWWXHGWLV-NSHDSACASA-N 1 0 211.374 3.977 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1cccs1 ZINC000020133021 168392397 /nfs/dbraw/zinc/39/23/97/168392397.db2.gz LBBOBIWWXHGWLV-LLVKDONJSA-N 1 0 211.374 3.977 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020133075 538930633 /nfs/dbraw/zinc/93/06/33/538930633.db2.gz QKKICOLOLFIXJO-QMMMGPOBSA-N 1 0 226.389 3.599 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1nc(C)sc1C ZINC000020133078 538930509 /nfs/dbraw/zinc/93/05/09/538930509.db2.gz QKKICOLOLFIXJO-MRVPVSSYSA-N 1 0 226.389 3.599 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000020133466 371234367 /nfs/dbraw/zinc/23/43/67/371234367.db2.gz FGDGVIOIQDBECD-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCc3ccccc32)o1 ZINC000020133468 371234128 /nfs/dbraw/zinc/23/41/28/371234128.db2.gz FGDGVIOIQDBECD-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000020133847 179094569 /nfs/dbraw/zinc/09/45/69/179094569.db2.gz KHQCKKYLHNVQST-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccccc2C)c1 ZINC000020133872 179095654 /nfs/dbraw/zinc/09/56/54/179095654.db2.gz AKSXQUYSUCQACD-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000020133885 179093483 /nfs/dbraw/zinc/09/34/83/179093483.db2.gz FRTFHFJSXQDYBF-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cccc(C)c1 ZINC000020133920 179096838 /nfs/dbraw/zinc/09/68/38/179096838.db2.gz WSIGRPHFIXZNJX-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000020134035 179099866 /nfs/dbraw/zinc/09/98/66/179099866.db2.gz WQJYEHPJBHLVFY-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000020134038 179098863 /nfs/dbraw/zinc/09/88/63/179098863.db2.gz WQJYEHPJBHLVFY-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccccc2F)c1 ZINC000020134045 259389098 /nfs/dbraw/zinc/38/90/98/259389098.db2.gz BTOVCLIAQYEPKX-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2F)c1 ZINC000020134048 259389425 /nfs/dbraw/zinc/38/94/25/259389425.db2.gz BTOVCLIAQYEPKX-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020134085 179100655 /nfs/dbraw/zinc/10/06/55/179100655.db2.gz MERYCWODOSEPSG-QGZVFWFLSA-N 1 0 237.346 3.772 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000020134191 179100278 /nfs/dbraw/zinc/10/02/78/179100278.db2.gz AGWWJIIOAKBUPA-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000020134194 179097379 /nfs/dbraw/zinc/09/73/79/179097379.db2.gz AGWWJIIOAKBUPA-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000020134323 179094134 /nfs/dbraw/zinc/09/41/34/179094134.db2.gz XFTSIOOHBPWEQZ-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000020134347 259389132 /nfs/dbraw/zinc/38/91/32/259389132.db2.gz JBXIQZJKDXWBST-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000020134348 259389118 /nfs/dbraw/zinc/38/91/18/259389118.db2.gz JBXIQZJKDXWBST-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C)c2)s1 ZINC000020134400 179094710 /nfs/dbraw/zinc/09/47/10/179094710.db2.gz HGXIQJFRDJSVCE-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136429 347355458 /nfs/dbraw/zinc/35/54/58/347355458.db2.gz NWGWTDZALLRSAJ-GHMZBOCLSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136432 171365225 /nfs/dbraw/zinc/36/52/25/171365225.db2.gz NWGWTDZALLRSAJ-WDEREUQCSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136436 347355628 /nfs/dbraw/zinc/35/56/28/347355628.db2.gz NWGWTDZALLRSAJ-MNOVXSKESA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136440 171389832 /nfs/dbraw/zinc/38/98/32/171389832.db2.gz NWGWTDZALLRSAJ-QWRGUYRKSA-N 1 0 248.395 3.821 20 0 BHADRO CC[NH+]1CCC(Nc2cccc(C(C)C)c2)CC1 ZINC000020136464 259389234 /nfs/dbraw/zinc/38/92/34/259389234.db2.gz ZZLVQWCJURVGLE-UHFFFAOYSA-N 1 0 246.398 3.706 20 0 BHADRO CCCc1ccc(NC2CC[NH+](CC)CC2)cc1 ZINC000020136637 590077579 /nfs/dbraw/zinc/07/75/79/590077579.db2.gz VVRGJGWRTCQHTC-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000020137039 590076912 /nfs/dbraw/zinc/07/69/12/590076912.db2.gz VRAWYYZYVNEVDE-LBPRGKRZSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@H](C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000020137043 590076718 /nfs/dbraw/zinc/07/67/18/590076718.db2.gz VRAWYYZYVNEVDE-GFCCVEGCSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000020137111 384582919 /nfs/dbraw/zinc/58/29/19/384582919.db2.gz FMBBBSYFWGSTFF-KBPBESRZSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000020137114 342971365 /nfs/dbraw/zinc/97/13/65/342971365.db2.gz FMBBBSYFWGSTFF-KGLIPLIRSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000020137116 342971362 /nfs/dbraw/zinc/97/13/62/342971362.db2.gz FMBBBSYFWGSTFF-UONOGXRCSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccn1 ZINC000020137118 176684908 /nfs/dbraw/zinc/68/49/08/176684908.db2.gz FMBBBSYFWGSTFF-ZIAGYGMSSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000020137121 384581258 /nfs/dbraw/zinc/58/12/58/384581258.db2.gz BYBZVDBBCIEYCX-KBPBESRZSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000020137124 176682892 /nfs/dbraw/zinc/68/28/92/176682892.db2.gz BYBZVDBBCIEYCX-KGLIPLIRSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000020137126 342971435 /nfs/dbraw/zinc/97/14/35/342971435.db2.gz BYBZVDBBCIEYCX-UONOGXRCSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccncc1 ZINC000020137128 342971223 /nfs/dbraw/zinc/97/12/23/342971223.db2.gz BYBZVDBBCIEYCX-ZIAGYGMSSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000020137131 176864807 /nfs/dbraw/zinc/86/48/07/176864807.db2.gz LHTQRFGWMFQGQE-KBPBESRZSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000020137133 342971470 /nfs/dbraw/zinc/97/14/70/342971470.db2.gz LHTQRFGWMFQGQE-KGLIPLIRSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000020137136 342971457 /nfs/dbraw/zinc/97/14/57/342971457.db2.gz LHTQRFGWMFQGQE-UONOGXRCSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cccnc1 ZINC000020137139 342971298 /nfs/dbraw/zinc/97/12/98/342971298.db2.gz LHTQRFGWMFQGQE-ZIAGYGMSSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000020137186 384580895 /nfs/dbraw/zinc/58/08/95/384580895.db2.gz VPEHNVWAJSKLPJ-STQMWFEESA-N 1 0 229.323 3.734 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000020137189 342971386 /nfs/dbraw/zinc/97/13/86/342971386.db2.gz VPEHNVWAJSKLPJ-OLZOCXBDSA-N 1 0 229.323 3.734 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000020137193 342971318 /nfs/dbraw/zinc/97/13/18/342971318.db2.gz VPEHNVWAJSKLPJ-QWHCGFSZSA-N 1 0 229.323 3.734 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccco1 ZINC000020137196 176684953 /nfs/dbraw/zinc/68/49/53/176684953.db2.gz VPEHNVWAJSKLPJ-CHWSQXEVSA-N 1 0 229.323 3.734 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020137412 371234270 /nfs/dbraw/zinc/23/42/70/371234270.db2.gz OJNPWFDQNFOFCC-CHWSQXEVSA-N 1 0 205.345 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020137416 371234676 /nfs/dbraw/zinc/23/46/76/371234676.db2.gz OJNPWFDQNFOFCC-OLZOCXBDSA-N 1 0 205.345 3.568 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020137419 343774445 /nfs/dbraw/zinc/77/44/45/343774445.db2.gz OJNPWFDQNFOFCC-QWHCGFSZSA-N 1 0 205.345 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020137422 371234965 /nfs/dbraw/zinc/23/49/65/371234965.db2.gz OJNPWFDQNFOFCC-STQMWFEESA-N 1 0 205.345 3.568 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000020138437 259389344 /nfs/dbraw/zinc/38/93/44/259389344.db2.gz MLTWJAUFNLRWQY-KBPBESRZSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000020138441 259389255 /nfs/dbraw/zinc/38/92/55/259389255.db2.gz MLTWJAUFNLRWQY-KGLIPLIRSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccco1 ZINC000020138445 259389246 /nfs/dbraw/zinc/38/92/46/259389246.db2.gz MLTWJAUFNLRWQY-UONOGXRCSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000020138449 259389270 /nfs/dbraw/zinc/38/92/70/259389270.db2.gz MLTWJAUFNLRWQY-ZIAGYGMSSA-N 1 0 243.350 3.952 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020138689 538930735 /nfs/dbraw/zinc/93/07/35/538930735.db2.gz HUASVELZWYHOES-KGLIPLIRSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020138692 538930658 /nfs/dbraw/zinc/93/06/58/538930658.db2.gz HUASVELZWYHOES-KBPBESRZSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020138695 590078207 /nfs/dbraw/zinc/07/82/07/590078207.db2.gz HUASVELZWYHOES-ZIAGYGMSSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020138698 590078577 /nfs/dbraw/zinc/07/85/77/590078577.db2.gz HUASVELZWYHOES-UONOGXRCSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020138701 590078492 /nfs/dbraw/zinc/07/84/92/590078492.db2.gz XJKBBKPKQLEIJM-KGLIPLIRSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000020138703 166824490 /nfs/dbraw/zinc/82/44/90/166824490.db2.gz XJKBBKPKQLEIJM-KBPBESRZSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020138705 166822923 /nfs/dbraw/zinc/82/29/23/166822923.db2.gz XJKBBKPKQLEIJM-ZIAGYGMSSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020138708 590077240 /nfs/dbraw/zinc/07/72/40/590077240.db2.gz XJKBBKPKQLEIJM-UONOGXRCSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020138711 386791567 /nfs/dbraw/zinc/79/15/67/386791567.db2.gz ZBOUMWJETYLPBM-KGLIPLIRSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000020138714 386790152 /nfs/dbraw/zinc/79/01/52/386790152.db2.gz ZBOUMWJETYLPBM-KBPBESRZSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020138717 590077635 /nfs/dbraw/zinc/07/76/35/590077635.db2.gz ZBOUMWJETYLPBM-ZIAGYGMSSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020138719 590076179 /nfs/dbraw/zinc/07/61/79/590076179.db2.gz ZBOUMWJETYLPBM-UONOGXRCSA-N 1 0 234.387 3.947 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccs2)c(C)c1 ZINC000020138829 342971559 /nfs/dbraw/zinc/97/15/59/342971559.db2.gz OHXYWGXIVITZSZ-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cc(C)c(C[NH2+]Cc2cccs2)c(C)c1 ZINC000020138860 643055950 /nfs/dbraw/zinc/05/59/50/643055950.db2.gz RDWATDDJDVXFMI-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020138923 384580695 /nfs/dbraw/zinc/58/06/95/384580695.db2.gz HZPSVFLBVXYYSO-MFKMUULPSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020138926 177351299 /nfs/dbraw/zinc/35/12/99/177351299.db2.gz HZPSVFLBVXYYSO-GWCFXTLKSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020138928 384580933 /nfs/dbraw/zinc/58/09/33/384580933.db2.gz HZPSVFLBVXYYSO-ZWNOBZJWSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020138930 342971703 /nfs/dbraw/zinc/97/17/03/342971703.db2.gz HZPSVFLBVXYYSO-GXFFZTMASA-N 1 0 247.363 3.754 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1 ZINC000020138976 384583428 /nfs/dbraw/zinc/58/34/28/384583428.db2.gz OHZSDLQTJFFBLN-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccs2)cc1 ZINC000020138979 384580745 /nfs/dbraw/zinc/58/07/45/384580745.db2.gz OHZSDLQTJFFBLN-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000020138982 342971747 /nfs/dbraw/zinc/97/17/47/342971747.db2.gz LWJJUHHEODNQDG-CQSZACIVSA-N 1 0 231.364 3.989 20 0 BHADRO CC[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000020138985 342971684 /nfs/dbraw/zinc/97/16/84/342971684.db2.gz LWJJUHHEODNQDG-AWEZNQCLSA-N 1 0 231.364 3.989 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)c1ccccc1F ZINC000020139061 342971563 /nfs/dbraw/zinc/97/15/63/342971563.db2.gz OHHWXVNHAOWUMK-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)c1ccccc1F ZINC000020139064 387075575 /nfs/dbraw/zinc/07/55/75/387075575.db2.gz OHHWXVNHAOWUMK-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]Cc2cccs2)c1 ZINC000020139110 175286594 /nfs/dbraw/zinc/28/65/94/175286594.db2.gz ONUAAVVQBCAROY-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO COc1cccc([C@H](C)[NH2+]Cc2cccs2)c1 ZINC000020139114 175293213 /nfs/dbraw/zinc/29/32/13/175293213.db2.gz ONUAAVVQBCAROY-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccs2)s1 ZINC000020139449 385418224 /nfs/dbraw/zinc/41/82/24/385418224.db2.gz GMVXTHJXKMJDAP-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccs2)s1 ZINC000020139452 385419594 /nfs/dbraw/zinc/41/95/94/385419594.db2.gz GMVXTHJXKMJDAP-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000020139487 342971601 /nfs/dbraw/zinc/97/16/01/342971601.db2.gz DLULLDJZYFMEDQ-OAHLLOKOSA-N 1 0 243.375 3.915 20 0 BHADRO c1csc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000020139489 342971647 /nfs/dbraw/zinc/97/16/47/342971647.db2.gz DLULLDJZYFMEDQ-HNNXBMFYSA-N 1 0 243.375 3.915 20 0 BHADRO c1csc(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000020139518 356998717 /nfs/dbraw/zinc/99/87/17/356998717.db2.gz BZNYLSWJRGZZKF-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO Clc1ccc(C[NH2+]Cc2cccs2)s1 ZINC000020139523 347355693 /nfs/dbraw/zinc/35/56/93/347355693.db2.gz VDNNQSFQGUNZIH-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000020139703 590078272 /nfs/dbraw/zinc/07/82/72/590078272.db2.gz ASKGGZZPOJGFGN-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000020139706 590078597 /nfs/dbraw/zinc/07/85/97/590078597.db2.gz ASKGGZZPOJGFGN-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000020139709 187594317 /nfs/dbraw/zinc/59/43/17/187594317.db2.gz ASKGGZZPOJGFGN-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000020139712 590078346 /nfs/dbraw/zinc/07/83/46/590078346.db2.gz ASKGGZZPOJGFGN-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccncc1)c1ccc(C)cc1 ZINC000020140099 590078573 /nfs/dbraw/zinc/07/85/73/590078573.db2.gz FKVPPKTZJZJHHC-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ccncc1)c1ccc(C)cc1 ZINC000020140102 590078031 /nfs/dbraw/zinc/07/80/31/590078031.db2.gz FKVPPKTZJZJHHC-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccncc2)CC1 ZINC000020140375 168606264 /nfs/dbraw/zinc/60/62/64/168606264.db2.gz JENGVFQWGBFGNC-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccncc1 ZINC000020140486 166778300 /nfs/dbraw/zinc/77/83/00/166778300.db2.gz JREOKZGSNRLGHZ-UHFFFAOYSA-N 1 0 234.387 3.632 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccncc2)c(C)s1 ZINC000020140501 178229751 /nfs/dbraw/zinc/22/97/51/178229751.db2.gz HSDFJTOXLARXIJ-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccncc2)c(C)s1 ZINC000020140504 178252361 /nfs/dbraw/zinc/25/23/61/178252361.db2.gz HSDFJTOXLARXIJ-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)(C)C1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140611 590078400 /nfs/dbraw/zinc/07/84/00/590078400.db2.gz LPCXYYTZBSEDPP-UHFFFAOYSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000020140628 187370859 /nfs/dbraw/zinc/37/08/59/187370859.db2.gz IAJSIWOVPVDYRY-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000020140631 187206390 /nfs/dbraw/zinc/20/63/90/187206390.db2.gz IAJSIWOVPVDYRY-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000020140634 590078227 /nfs/dbraw/zinc/07/82/27/590078227.db2.gz IAJSIWOVPVDYRY-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000020140637 590078456 /nfs/dbraw/zinc/07/84/56/590078456.db2.gz IAJSIWOVPVDYRY-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000020140742 356998603 /nfs/dbraw/zinc/99/86/03/356998603.db2.gz CTKRYOBBTBGWMB-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000020140745 387074478 /nfs/dbraw/zinc/07/44/78/387074478.db2.gz CTKRYOBBTBGWMB-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1cccnc1)c1ccccc1Cl ZINC000020140748 356998206 /nfs/dbraw/zinc/99/82/06/356998206.db2.gz YFYXIUAJSGKROX-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccnc1)c1ccccc1Cl ZINC000020140751 387074982 /nfs/dbraw/zinc/07/49/82/387074982.db2.gz YFYXIUAJSGKROX-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2)c(C)c1 ZINC000020141001 384585237 /nfs/dbraw/zinc/58/52/37/384585237.db2.gz XMLTXNJOZJCUNP-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2)c(C)c1 ZINC000020141003 384586936 /nfs/dbraw/zinc/58/69/36/384586936.db2.gz XMLTXNJOZJCUNP-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccnc2)c1 ZINC000020141015 385833345 /nfs/dbraw/zinc/83/33/45/385833345.db2.gz QXIAQBHJXQCFOP-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccnc2)c1 ZINC000020141017 351983245 /nfs/dbraw/zinc/98/32/45/351983245.db2.gz QXIAQBHJXQCFOP-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(C)cc1 ZINC000020141048 342971575 /nfs/dbraw/zinc/97/15/75/342971575.db2.gz BTOTTZBLNQNBAW-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1)c1ccc(C)cc1 ZINC000020141051 342971840 /nfs/dbraw/zinc/97/18/40/342971840.db2.gz BTOTTZBLNQNBAW-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO C[C@@H]([NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000020141150 356998548 /nfs/dbraw/zinc/99/85/48/356998548.db2.gz PPDXMGMIXHJVHZ-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000020141152 387075715 /nfs/dbraw/zinc/07/57/15/387075715.db2.gz PPDXMGMIXHJVHZ-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1C ZINC000020141192 384586695 /nfs/dbraw/zinc/58/66/95/384586695.db2.gz NKGLKPLRUWJFIX-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1C ZINC000020141195 384584549 /nfs/dbraw/zinc/58/45/49/384584549.db2.gz NKGLKPLRUWJFIX-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cccnc1 ZINC000020141389 347358257 /nfs/dbraw/zinc/35/82/57/347358257.db2.gz YOMCBRVVDUPNCA-UHFFFAOYSA-N 1 0 234.387 3.632 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2)c(C)s1 ZINC000020141401 178229410 /nfs/dbraw/zinc/22/94/10/178229410.db2.gz ZSKHWTQCVGBZCK-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccnc2)c(C)s1 ZINC000020141403 178252629 /nfs/dbraw/zinc/25/26/29/178252629.db2.gz ZSKHWTQCVGBZCK-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO COCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020142299 174249109 /nfs/dbraw/zinc/24/91/09/174249109.db2.gz ARHBWXVGDVHWIB-ZDUSSCGKSA-N 1 0 243.350 3.527 20 0 BHADRO COCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020142301 174250019 /nfs/dbraw/zinc/25/00/19/174250019.db2.gz ARHBWXVGDVHWIB-CYBMUJFWSA-N 1 0 243.350 3.527 20 0 BHADRO COCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000020142371 174249081 /nfs/dbraw/zinc/24/90/81/174249081.db2.gz AFNMVTVWZZGYJV-ZDUSSCGKSA-N 1 0 243.350 3.527 20 0 BHADRO COCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000020142373 174249841 /nfs/dbraw/zinc/24/98/41/174249841.db2.gz AFNMVTVWZZGYJV-CYBMUJFWSA-N 1 0 243.350 3.527 20 0 BHADRO COCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020142490 174249600 /nfs/dbraw/zinc/24/96/00/174249600.db2.gz DIULLQBSZPBBGL-ZDUSSCGKSA-N 1 0 249.398 3.671 20 0 BHADRO COCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020142492 174249992 /nfs/dbraw/zinc/24/99/92/174249992.db2.gz DIULLQBSZPBBGL-CYBMUJFWSA-N 1 0 249.398 3.671 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000020143623 590078201 /nfs/dbraw/zinc/07/82/01/590078201.db2.gz FUXTUSHOGXJVQZ-LBPRGKRZSA-N 1 0 221.344 3.623 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000020143625 590078223 /nfs/dbraw/zinc/07/82/23/590078223.db2.gz FUXTUSHOGXJVQZ-GFCCVEGCSA-N 1 0 221.344 3.623 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020143707 590078174 /nfs/dbraw/zinc/07/81/74/590078174.db2.gz AMIMWWZCDCHSOB-JTQLQIEISA-N 1 0 240.416 3.991 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000020143709 590078591 /nfs/dbraw/zinc/07/85/91/590078591.db2.gz AMIMWWZCDCHSOB-SNVBAGLBSA-N 1 0 240.416 3.991 20 0 BHADRO CCCCc1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000020143711 169022468 /nfs/dbraw/zinc/02/24/68/169022468.db2.gz BLJNHYGSAHVNMK-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(F)cc1 ZINC000020144470 633809425 /nfs/dbraw/zinc/80/94/25/633809425.db2.gz OWNXTZXCDCOSGE-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(F)cc1 ZINC000020144472 633807906 /nfs/dbraw/zinc/80/79/06/633807906.db2.gz OWNXTZXCDCOSGE-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(F)c1 ZINC000020144510 633808996 /nfs/dbraw/zinc/80/89/96/633808996.db2.gz QPKXFPXNGKXYTI-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]Cc1cccc(F)c1 ZINC000020144512 633808476 /nfs/dbraw/zinc/80/84/76/633808476.db2.gz QPKXFPXNGKXYTI-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000020144522 633808951 /nfs/dbraw/zinc/80/89/51/633808951.db2.gz JTJUIJIHOQNFNB-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000020144524 633808168 /nfs/dbraw/zinc/80/81/68/633808168.db2.gz JTJUIJIHOQNFNB-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1CCC(C)CC1 ZINC000020144546 168164651 /nfs/dbraw/zinc/16/46/51/168164651.db2.gz GPLCKGYSJZMNLT-MOKVOYLWSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1CCC(C)CC1 ZINC000020144548 168166016 /nfs/dbraw/zinc/16/60/16/168166016.db2.gz GPLCKGYSJZMNLT-ROKHWSDSSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000020144580 177089609 /nfs/dbraw/zinc/08/96/09/177089609.db2.gz JLSQVAZQINAVJI-GZBFAFLISA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000020144584 177083222 /nfs/dbraw/zinc/08/32/22/177083222.db2.gz JLSQVAZQINAVJI-GUTXKFCHSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000020144586 187939076 /nfs/dbraw/zinc/93/90/76/187939076.db2.gz WCYHCWNJLJEOBH-HZSPNIEDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000020144590 590078425 /nfs/dbraw/zinc/07/84/25/590078425.db2.gz WCYHCWNJLJEOBH-RDBSUJKOSA-N 1 0 235.371 3.769 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000020144622 179548328 /nfs/dbraw/zinc/54/83/28/179548328.db2.gz XXFKANPSDWPPRU-LBPRGKRZSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)CCc1ccco1 ZINC000020144624 356998773 /nfs/dbraw/zinc/99/87/73/356998773.db2.gz XXFKANPSDWPPRU-GFCCVEGCSA-N 1 0 249.379 3.760 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)CCc1ccco1 ZINC000020144634 168362636 /nfs/dbraw/zinc/36/26/36/168362636.db2.gz DXJBVWMMMFSLNI-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)CCc1ccco1 ZINC000020144636 168363890 /nfs/dbraw/zinc/36/38/90/168363890.db2.gz DXJBVWMMMFSLNI-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000020144716 187370223 /nfs/dbraw/zinc/37/02/23/187370223.db2.gz BAQUKYFEGRZGHK-QWHCGFSZSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000020144718 187369954 /nfs/dbraw/zinc/36/99/54/187369954.db2.gz BAQUKYFEGRZGHK-STQMWFEESA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000020144720 590077916 /nfs/dbraw/zinc/07/79/16/590077916.db2.gz BAQUKYFEGRZGHK-CHWSQXEVSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000020144722 187370709 /nfs/dbraw/zinc/37/07/09/187370709.db2.gz BAQUKYFEGRZGHK-OLZOCXBDSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccco1 ZINC000020144807 356998255 /nfs/dbraw/zinc/99/82/55/356998255.db2.gz OASACLILXXIWBF-RYUDHWBXSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccco1 ZINC000020144809 176910368 /nfs/dbraw/zinc/91/03/68/176910368.db2.gz OASACLILXXIWBF-NEPJUHHUSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccco1 ZINC000020144811 187222722 /nfs/dbraw/zinc/22/27/22/187222722.db2.gz OASACLILXXIWBF-NWDGAFQWSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccco1 ZINC000020144813 356998739 /nfs/dbraw/zinc/99/87/39/356998739.db2.gz OASACLILXXIWBF-VXGBXAGGSA-N 1 0 233.311 3.545 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)o1 ZINC000020144839 384586606 /nfs/dbraw/zinc/58/66/06/384586606.db2.gz SUSGDYHKQQIEKT-AAEUAGOBSA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)o1 ZINC000020144841 384585999 /nfs/dbraw/zinc/58/59/99/384585999.db2.gz SUSGDYHKQQIEKT-YPMHNXCESA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)o1 ZINC000020144843 384585865 /nfs/dbraw/zinc/58/58/65/384585865.db2.gz SUSGDYHKQQIEKT-WCQYABFASA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)o1 ZINC000020144845 384585456 /nfs/dbraw/zinc/58/54/56/384585456.db2.gz SUSGDYHKQQIEKT-DGCLKSJQSA-N 1 0 247.338 3.853 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1F ZINC000020145033 633808866 /nfs/dbraw/zinc/80/88/66/633808866.db2.gz OLUOHYIUBUFJGY-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1F ZINC000020145035 633808008 /nfs/dbraw/zinc/80/80/08/633808008.db2.gz OLUOHYIUBUFJGY-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1CCCCC1 ZINC000020145057 342972118 /nfs/dbraw/zinc/97/21/18/342972118.db2.gz VYNPEONQHYOWHF-LBPRGKRZSA-N 1 0 221.344 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1CCCCC1 ZINC000020145059 342972165 /nfs/dbraw/zinc/97/21/65/342972165.db2.gz VYNPEONQHYOWHF-GFCCVEGCSA-N 1 0 221.344 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC=CCC1 ZINC000020145132 175687814 /nfs/dbraw/zinc/68/78/14/175687814.db2.gz AQKYLSHYIWQDAH-KBPBESRZSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC=CCC1 ZINC000020145134 590078300 /nfs/dbraw/zinc/07/83/00/590078300.db2.gz AQKYLSHYIWQDAH-KGLIPLIRSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC=CCC1 ZINC000020145136 590078075 /nfs/dbraw/zinc/07/80/75/590078075.db2.gz AQKYLSHYIWQDAH-UONOGXRCSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC=CCC1 ZINC000020145138 590078569 /nfs/dbraw/zinc/07/85/69/590078569.db2.gz AQKYLSHYIWQDAH-ZIAGYGMSSA-N 1 0 233.355 3.547 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccco2)s1 ZINC000020145149 356999568 /nfs/dbraw/zinc/99/95/68/356999568.db2.gz IMXPSIYQKFRSHJ-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCc2ccco2)s1 ZINC000020145151 178630136 /nfs/dbraw/zinc/63/01/36/178630136.db2.gz IMXPSIYQKFRSHJ-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000020145182 259389767 /nfs/dbraw/zinc/38/97/67/259389767.db2.gz RKINJHDPKUYDMY-OLZOCXBDSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000020145184 259389869 /nfs/dbraw/zinc/38/98/69/259389869.db2.gz RKINJHDPKUYDMY-STQMWFEESA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000020145186 259389811 /nfs/dbraw/zinc/38/98/11/259389811.db2.gz RKINJHDPKUYDMY-CHWSQXEVSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000020145188 259389662 /nfs/dbraw/zinc/38/96/62/259389662.db2.gz RKINJHDPKUYDMY-QWHCGFSZSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000020145220 171366642 /nfs/dbraw/zinc/36/66/42/171366642.db2.gz TWLJKKYSXDACNA-RWMBFGLXSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000020145224 171390248 /nfs/dbraw/zinc/39/02/48/171390248.db2.gz TWLJKKYSXDACNA-AVGNSLFASA-N 1 0 223.360 3.625 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc(F)c1 ZINC000020147770 259389713 /nfs/dbraw/zinc/38/97/13/259389713.db2.gz MIOMIVZPMHVALP-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1cccc(F)c1 ZINC000020147771 259389613 /nfs/dbraw/zinc/38/96/13/259389613.db2.gz MIOMIVZPMHVALP-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000020147772 259389886 /nfs/dbraw/zinc/38/98/86/259389886.db2.gz MZWCPZMUDHJLHV-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020147773 259389828 /nfs/dbraw/zinc/38/98/28/259389828.db2.gz MZWCPZMUDHJLHV-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)c1cccc(F)c1 ZINC000020147790 356999585 /nfs/dbraw/zinc/99/95/85/356999585.db2.gz PKRXOGAZGXGNEU-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)c1cccc(F)c1 ZINC000020147791 176878922 /nfs/dbraw/zinc/87/89/22/176878922.db2.gz PKRXOGAZGXGNEU-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000020147794 363078342 /nfs/dbraw/zinc/07/83/42/363078342.db2.gz VFTXLHRCSPMOGV-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000020147795 363078516 /nfs/dbraw/zinc/07/85/16/363078516.db2.gz VFTXLHRCSPMOGV-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)c1cccc(F)c1 ZINC000020147802 356999439 /nfs/dbraw/zinc/99/94/39/356999439.db2.gz SDYXDTLHUPWJTG-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)c1cccc(F)c1 ZINC000020147803 387075222 /nfs/dbraw/zinc/07/52/22/387075222.db2.gz SDYXDTLHUPWJTG-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147856 342972048 /nfs/dbraw/zinc/97/20/48/342972048.db2.gz PYWIXEWIIDLMDA-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147857 384584419 /nfs/dbraw/zinc/58/44/19/384584419.db2.gz PYWIXEWIIDLMDA-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147858 175921216 /nfs/dbraw/zinc/92/12/16/175921216.db2.gz PYWIXEWIIDLMDA-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccc(F)c1 ZINC000020147859 342972050 /nfs/dbraw/zinc/97/20/50/342972050.db2.gz PYWIXEWIIDLMDA-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020148063 259396133 /nfs/dbraw/zinc/39/61/33/259396133.db2.gz DMWQQINSAIIPAD-MNOVXSKESA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020148064 259396177 /nfs/dbraw/zinc/39/61/77/259396177.db2.gz DMWQQINSAIIPAD-QWRGUYRKSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000020148065 259396452 /nfs/dbraw/zinc/39/64/52/259396452.db2.gz DMWQQINSAIIPAD-GHMZBOCLSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000020148066 259389831 /nfs/dbraw/zinc/38/98/31/259389831.db2.gz DMWQQINSAIIPAD-WDEREUQCSA-N 1 0 209.308 3.522 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148171 175266600 /nfs/dbraw/zinc/26/66/00/175266600.db2.gz KHJYVYCPZWGESQ-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000020148172 175267482 /nfs/dbraw/zinc/26/74/82/175267482.db2.gz KHJYVYCPZWGESQ-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cccs1 ZINC000020148177 387075243 /nfs/dbraw/zinc/07/52/43/387075243.db2.gz AHXAHYHAMOTHCG-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1cccs1 ZINC000020148178 176876785 /nfs/dbraw/zinc/87/67/85/176876785.db2.gz AHXAHYHAMOTHCG-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1cccs1 ZINC000020148181 179284481 /nfs/dbraw/zinc/28/44/81/179284481.db2.gz BXUVSNOJRGQJLR-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1cccs1 ZINC000020148182 179283192 /nfs/dbraw/zinc/28/31/92/179283192.db2.gz BXUVSNOJRGQJLR-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccs2)o1 ZINC000020148201 347413002 /nfs/dbraw/zinc/41/30/02/347413002.db2.gz IAGCNXBDYXATJO-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000020148202 347412876 /nfs/dbraw/zinc/41/28/76/347412876.db2.gz IAGCNXBDYXATJO-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1cccs1 ZINC000020148203 347412750 /nfs/dbraw/zinc/41/27/50/347412750.db2.gz IYUVCBHQUVQJHB-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1cccs1 ZINC000020148204 347412955 /nfs/dbraw/zinc/41/29/55/347412955.db2.gz IYUVCBHQUVQJHB-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)c1cccs1 ZINC000020148207 342972159 /nfs/dbraw/zinc/97/21/59/342972159.db2.gz JOGADLWXTCICIH-SECBINFHSA-N 1 0 223.366 3.660 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)c1cccs1 ZINC000020148208 385422452 /nfs/dbraw/zinc/42/24/52/385422452.db2.gz JOGADLWXTCICIH-VIFPVBQESA-N 1 0 223.366 3.660 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cccs1 ZINC000020148209 168363836 /nfs/dbraw/zinc/36/38/36/168363836.db2.gz NOBFAWOAAFUHKQ-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cccs1 ZINC000020148210 168365320 /nfs/dbraw/zinc/36/53/20/168365320.db2.gz NOBFAWOAAFUHKQ-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148259 590078062 /nfs/dbraw/zinc/07/80/62/590078062.db2.gz AKWADXVQYIARJQ-MNOVXSKESA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148260 191129901 /nfs/dbraw/zinc/12/99/01/191129901.db2.gz AKWADXVQYIARJQ-QWRGUYRKSA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020148261 584910306 /nfs/dbraw/zinc/91/03/06/584910306.db2.gz AKWADXVQYIARJQ-GHMZBOCLSA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020148262 188005611 /nfs/dbraw/zinc/00/56/11/188005611.db2.gz AKWADXVQYIARJQ-WDEREUQCSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccs1 ZINC000020148566 188005376 /nfs/dbraw/zinc/00/53/76/188005376.db2.gz VBVKPFAOOPNVPT-NEPJUHHUSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccs1 ZINC000020148567 590077030 /nfs/dbraw/zinc/07/70/30/590077030.db2.gz VBVKPFAOOPNVPT-RYUDHWBXSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000020148568 590077686 /nfs/dbraw/zinc/07/76/86/590077686.db2.gz VBVKPFAOOPNVPT-VXGBXAGGSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000020148569 176859664 /nfs/dbraw/zinc/85/96/64/176859664.db2.gz VBVKPFAOOPNVPT-NWDGAFQWSA-N 1 0 221.369 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccs2)s1 ZINC000020148570 342972088 /nfs/dbraw/zinc/97/20/88/342972088.db2.gz UZSQACPLUDGIHH-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)s1 ZINC000020148571 347412635 /nfs/dbraw/zinc/41/26/35/347412635.db2.gz UZSQACPLUDGIHH-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148633 259396429 /nfs/dbraw/zinc/39/64/29/259396429.db2.gz WRDKOSNZZVPOSW-AXFHLTTASA-N 1 0 211.374 3.833 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148635 259396115 /nfs/dbraw/zinc/39/61/15/259396115.db2.gz WRDKOSNZZVPOSW-DCAQKATOSA-N 1 0 211.374 3.833 20 0 BHADRO c1cn(CCC[NH2+]C2CCCC2)c2ccccc12 ZINC000020188677 590082942 /nfs/dbraw/zinc/08/29/42/590082942.db2.gz YYOFOBXOCJUKSH-UHFFFAOYSA-N 1 0 242.366 3.564 20 0 BHADRO CC[C@@H]([NH2+]CCCOCC1CC1)c1ccccc1 ZINC000020190542 170894238 /nfs/dbraw/zinc/89/42/38/170894238.db2.gz CHQKIMGFTWIZHX-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCOCC1CC1)c1ccccc1 ZINC000020190544 357000225 /nfs/dbraw/zinc/00/02/25/357000225.db2.gz CHQKIMGFTWIZHX-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC(CC)[NH2+]CCCOC1CCCCC1 ZINC000020191463 168386645 /nfs/dbraw/zinc/38/66/45/168386645.db2.gz ZKVMNKYVNMMYET-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO c1ccc(C[NH2+]CCCOC2CCCCC2)cc1 ZINC000020191546 183404020 /nfs/dbraw/zinc/40/40/20/183404020.db2.gz AHGUMUUCFHFHGH-UHFFFAOYSA-N 1 0 247.382 3.516 20 0 BHADRO C(C[NH2+]C1CCCCC1)COC1CCCCC1 ZINC000020191557 590082961 /nfs/dbraw/zinc/08/29/61/590082961.db2.gz UBBWCJQFPRJAOM-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CCC[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000020191560 385345829 /nfs/dbraw/zinc/34/58/29/385345829.db2.gz WHIOHOWEUMYNCN-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000020191563 262740687 /nfs/dbraw/zinc/74/06/87/262740687.db2.gz WHIOHOWEUMYNCN-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC(C)OCCC[NH2+]C1CCCCCCC1 ZINC000020197877 167221817 /nfs/dbraw/zinc/22/18/17/167221817.db2.gz PFUFUGBCTRGFSR-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000020197977 386159282 /nfs/dbraw/zinc/15/92/82/386159282.db2.gz FUFYVDDSTZPUOI-OAHLLOKOSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000020197979 171520693 /nfs/dbraw/zinc/52/06/93/171520693.db2.gz FUFYVDDSTZPUOI-HNNXBMFYSA-N 1 0 235.371 3.542 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)c(C)c1 ZINC000020198141 347367901 /nfs/dbraw/zinc/36/79/01/347367901.db2.gz CFQAJPANOBYIGB-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)c(C)c1 ZINC000020198143 385345169 /nfs/dbraw/zinc/34/51/69/385345169.db2.gz CFQAJPANOBYIGB-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCCOC(C)C)c1 ZINC000020198145 262740627 /nfs/dbraw/zinc/74/06/27/262740627.db2.gz KBRBBSCIBPIEBM-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCOC(C)C)c1 ZINC000020198147 262740689 /nfs/dbraw/zinc/74/06/89/262740689.db2.gz KBRBBSCIBPIEBM-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1C ZINC000020198283 262740701 /nfs/dbraw/zinc/74/07/01/262740701.db2.gz MWSCQJXBXXAIGU-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1C ZINC000020198284 262740650 /nfs/dbraw/zinc/74/06/50/262740650.db2.gz MWSCQJXBXXAIGU-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)s1 ZINC000020198298 190981738 /nfs/dbraw/zinc/98/17/38/190981738.db2.gz DHMFPBNRGUSTER-LBPRGKRZSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)s1 ZINC000020198300 384595669 /nfs/dbraw/zinc/59/56/69/384595669.db2.gz DHMFPBNRGUSTER-GFCCVEGCSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)c1cccs1 ZINC000020198366 170894745 /nfs/dbraw/zinc/89/47/45/170894745.db2.gz LUECBKFQMVHLKU-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)c1cccs1 ZINC000020198368 171519929 /nfs/dbraw/zinc/51/99/29/171519929.db2.gz LUECBKFQMVHLKU-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000020203852 342976413 /nfs/dbraw/zinc/97/64/13/342976413.db2.gz ZNTZNAMGOIWAEY-CQSZACIVSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000020203855 342976739 /nfs/dbraw/zinc/97/67/39/342976739.db2.gz ZNTZNAMGOIWAEY-AWEZNQCLSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000020203917 342976515 /nfs/dbraw/zinc/97/65/15/342976515.db2.gz YSNYEEOHCISHKI-CQSZACIVSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000020203920 342976483 /nfs/dbraw/zinc/97/64/83/342976483.db2.gz YSNYEEOHCISHKI-AWEZNQCLSA-N 1 0 245.297 3.586 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020203928 179282105 /nfs/dbraw/zinc/28/21/05/179282105.db2.gz CRDKAZYEOLRGPB-OAHLLOKOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000020203931 179284767 /nfs/dbraw/zinc/28/47/67/179284767.db2.gz CRDKAZYEOLRGPB-HNNXBMFYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000020203934 178625323 /nfs/dbraw/zinc/62/53/23/178625323.db2.gz DOMNMXYRVXVQFI-OAHLLOKOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000020203937 342976707 /nfs/dbraw/zinc/97/67/07/342976707.db2.gz DOMNMXYRVXVQFI-HNNXBMFYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000020203945 179098663 /nfs/dbraw/zinc/09/86/63/179098663.db2.gz SBFMMBXUFCABIG-OAHLLOKOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000020203948 179101583 /nfs/dbraw/zinc/10/15/83/179101583.db2.gz SBFMMBXUFCABIG-HNNXBMFYSA-N 1 0 241.334 3.755 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000020204013 342976508 /nfs/dbraw/zinc/97/65/08/342976508.db2.gz QGCHMEJKCHVLNN-GFCCVEGCSA-N 1 0 233.336 3.508 20 0 BHADRO c1csc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000020204016 342976667 /nfs/dbraw/zinc/97/66/67/342976667.db2.gz QGCHMEJKCHVLNN-LBPRGKRZSA-N 1 0 233.336 3.508 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204050 342976526 /nfs/dbraw/zinc/97/65/26/342976526.db2.gz LVTXATMRNCKSGO-GFCCVEGCSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCc2occc21 ZINC000020204053 342976447 /nfs/dbraw/zinc/97/64/47/342976447.db2.gz LVTXATMRNCKSGO-LBPRGKRZSA-N 1 0 247.363 3.817 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccsc1 ZINC000020204062 183373071 /nfs/dbraw/zinc/37/30/71/183373071.db2.gz RXLNBVXOUHGWCQ-GFCCVEGCSA-N 1 0 233.336 3.508 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccsc1 ZINC000020204065 183372764 /nfs/dbraw/zinc/37/27/64/183372764.db2.gz RXLNBVXOUHGWCQ-LBPRGKRZSA-N 1 0 233.336 3.508 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000020204242 187544979 /nfs/dbraw/zinc/54/49/79/187544979.db2.gz FYXXJZHNKOCTAV-DGCLKSJQSA-N 1 0 221.344 3.681 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000020204244 590085307 /nfs/dbraw/zinc/08/53/07/590085307.db2.gz FYXXJZHNKOCTAV-WCQYABFASA-N 1 0 221.344 3.681 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000020204247 590085963 /nfs/dbraw/zinc/08/59/63/590085963.db2.gz FYXXJZHNKOCTAV-YPMHNXCESA-N 1 0 221.344 3.681 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000020204250 590086288 /nfs/dbraw/zinc/08/62/88/590086288.db2.gz FYXXJZHNKOCTAV-AAEUAGOBSA-N 1 0 221.344 3.681 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204795 181013203 /nfs/dbraw/zinc/01/32/03/181013203.db2.gz XANCSJGLHARDCR-CQSZACIVSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000020204798 181013024 /nfs/dbraw/zinc/01/30/24/181013024.db2.gz XANCSJGLHARDCR-AWEZNQCLSA-N 1 0 245.297 3.586 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCCCC1 ZINC000020204827 183372771 /nfs/dbraw/zinc/37/27/71/183372771.db2.gz SPDQUFKSZFEESI-CYBMUJFWSA-N 1 0 219.328 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000020204830 183372337 /nfs/dbraw/zinc/37/23/37/183372337.db2.gz SPDQUFKSZFEESI-ZDUSSCGKSA-N 1 0 219.328 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000020204983 188232066 /nfs/dbraw/zinc/23/20/66/188232066.db2.gz VTJFIKUXEXWZNF-GXTWGEPZSA-N 1 0 231.339 3.603 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000020204986 643058092 /nfs/dbraw/zinc/05/80/92/643058092.db2.gz VTJFIKUXEXWZNF-JSGCOSHPSA-N 1 0 231.339 3.603 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000020204989 643058527 /nfs/dbraw/zinc/05/85/27/643058527.db2.gz VTJFIKUXEXWZNF-TZMCWYRMSA-N 1 0 231.339 3.603 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000020204992 188231861 /nfs/dbraw/zinc/23/18/61/188231861.db2.gz VTJFIKUXEXWZNF-OCCSQVGLSA-N 1 0 231.339 3.603 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)s1 ZINC000020204995 342976764 /nfs/dbraw/zinc/97/67/64/342976764.db2.gz AQKYCTMCIZSGBD-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCc3occc32)s1 ZINC000020204998 342976831 /nfs/dbraw/zinc/97/68/31/342976831.db2.gz AQKYCTMCIZSGBD-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000020205101 171367066 /nfs/dbraw/zinc/36/70/66/171367066.db2.gz ZIRXRRPYPTZFBL-DMDPSCGWSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000020205106 171390031 /nfs/dbraw/zinc/39/00/31/171390031.db2.gz ZIRXRRPYPTZFBL-GMXVVIOVSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000020207319 352206727 /nfs/dbraw/zinc/20/67/27/352206727.db2.gz XLXRROCLSHAVID-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000020207327 352206723 /nfs/dbraw/zinc/20/67/23/352206723.db2.gz XLXRROCLSHAVID-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000020208146 342977335 /nfs/dbraw/zinc/97/73/35/342977335.db2.gz YTEZCRNJVURKOK-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000020208154 352207530 /nfs/dbraw/zinc/20/75/30/352207530.db2.gz YTEZCRNJVURKOK-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020209592 179093730 /nfs/dbraw/zinc/09/37/30/179093730.db2.gz ZFNRJQUJWAAKSQ-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000020209615 357001436 /nfs/dbraw/zinc/00/14/36/357001436.db2.gz QRLIBWRWSMFOHM-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Clc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000020209624 342977116 /nfs/dbraw/zinc/97/71/16/342977116.db2.gz IKKNADSRXGQRBA-UHFFFAOYSA-N 1 0 237.755 3.691 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020209677 386388408 /nfs/dbraw/zinc/38/84/08/386388408.db2.gz QBGKRSGIYCVIAB-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020209679 386386035 /nfs/dbraw/zinc/38/60/35/386386035.db2.gz QBGKRSGIYCVIAB-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccncc1 ZINC000020209682 386386199 /nfs/dbraw/zinc/38/61/99/386386199.db2.gz GSLJOUASZCQXAP-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccncc1 ZINC000020209686 386386339 /nfs/dbraw/zinc/38/63/39/386386339.db2.gz GSLJOUASZCQXAP-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccnc1 ZINC000020209688 386386103 /nfs/dbraw/zinc/38/61/03/386386103.db2.gz BSUSXXWQZJOQES-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccnc1 ZINC000020209691 386388457 /nfs/dbraw/zinc/38/84/57/386388457.db2.gz BSUSXXWQZJOQES-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccco1 ZINC000020209721 386387267 /nfs/dbraw/zinc/38/72/67/386387267.db2.gz NYMARYQCMGLRMQ-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccco1 ZINC000020209724 386386157 /nfs/dbraw/zinc/38/61/57/386386157.db2.gz NYMARYQCMGLRMQ-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO c1ccc2nc(C[NH2+]C3CCCCC3)ccc2c1 ZINC000020246171 387082581 /nfs/dbraw/zinc/08/25/81/387082581.db2.gz RAWJPKZRPRFQTR-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2ccccc2n1 ZINC000020246187 168389870 /nfs/dbraw/zinc/38/98/70/168389870.db2.gz NFZZWIRYPYTPNQ-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000020246193 385454015 /nfs/dbraw/zinc/45/40/15/385454015.db2.gz CYUODQHXXAEAOE-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000020246207 169370928 /nfs/dbraw/zinc/37/09/28/169370928.db2.gz JMXOCWKZDMTUNL-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000020246209 386694081 /nfs/dbraw/zinc/69/40/81/386694081.db2.gz JMXOCWKZDMTUNL-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO c1cnc2ccc(C[NH2+]C3CCCCC3)cc2c1 ZINC000020248054 183486773 /nfs/dbraw/zinc/48/67/73/183486773.db2.gz YAOFQOLLOGVION-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020248058 168299329 /nfs/dbraw/zinc/29/93/29/168299329.db2.gz YLTFEKFHXFFHMH-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000020248077 385453837 /nfs/dbraw/zinc/45/38/37/385453837.db2.gz LHAXOFVTFXYWFP-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CCCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000020248088 357001962 /nfs/dbraw/zinc/00/19/62/357001962.db2.gz KYQCTDLSGZGBDM-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020248099 169370280 /nfs/dbraw/zinc/37/02/80/169370280.db2.gz YUYQKYFBPUKTPA-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020248102 388760277 /nfs/dbraw/zinc/76/02/77/388760277.db2.gz YUYQKYFBPUKTPA-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO Cc1nc(C[NH2+]C2CCCCCCC2)cs1 ZINC000020252934 590092797 /nfs/dbraw/zinc/09/27/97/590092797.db2.gz MXGAROBAUMUVGB-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1c(C)noc1C ZINC000020253196 590093265 /nfs/dbraw/zinc/09/32/65/590093265.db2.gz CYNANEYOEJPDNS-CYBMUJFWSA-N 1 0 238.375 3.597 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1c(C)noc1C ZINC000020253197 590092910 /nfs/dbraw/zinc/09/29/10/590092910.db2.gz CYNANEYOEJPDNS-ZDUSSCGKSA-N 1 0 238.375 3.597 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1csc(C)n1 ZINC000020253198 259392928 /nfs/dbraw/zinc/39/29/28/259392928.db2.gz FGTCWSLAHNZJRT-GFCCVEGCSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1csc(C)n1 ZINC000020253199 259392831 /nfs/dbraw/zinc/39/28/31/259392831.db2.gz FGTCWSLAHNZJRT-LBPRGKRZSA-N 1 0 240.416 3.758 20 0 BHADRO Cc1noc(C)c1C[NH2+][C@H](C)CCCC(C)C ZINC000020253298 590093465 /nfs/dbraw/zinc/09/34/65/590093465.db2.gz NHFTYZSDGDXYLP-LLVKDONJSA-N 1 0 238.375 3.596 20 0 BHADRO Cc1noc(C)c1C[NH2+][C@@H](C)CCCC(C)C ZINC000020253299 590093128 /nfs/dbraw/zinc/09/31/28/590093128.db2.gz NHFTYZSDGDXYLP-NSHDSACASA-N 1 0 238.375 3.596 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)CCCC(C)C)cs1 ZINC000020253300 590093420 /nfs/dbraw/zinc/09/34/20/590093420.db2.gz WMGVQISXQPIRNM-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)CCCC(C)C)cs1 ZINC000020253301 590093242 /nfs/dbraw/zinc/09/32/42/590093242.db2.gz WMGVQISXQPIRNM-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Clc1ccc(C[NH+]2CCCCCCC2)cn1 ZINC000020265781 590093936 /nfs/dbraw/zinc/09/39/36/590093936.db2.gz SRKAVKYZWMLKSE-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1ccccn1 ZINC000020303577 633812460 /nfs/dbraw/zinc/81/24/60/633812460.db2.gz DKXVMWFPHOSRDR-CQSZACIVSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1ccccn1 ZINC000020303579 643312687 /nfs/dbraw/zinc/31/26/87/643312687.db2.gz DKXVMWFPHOSRDR-AWEZNQCLSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305174 633812166 /nfs/dbraw/zinc/81/21/66/633812166.db2.gz GCMVVLIQESVODS-UHFFFAOYSA-N 1 0 235.371 3.679 20 0 BHADRO Fc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000020305193 347394908 /nfs/dbraw/zinc/39/49/08/347394908.db2.gz ZRYRAGOLMVGBFJ-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020305202 633812425 /nfs/dbraw/zinc/81/24/25/633812425.db2.gz LIYKEKNSJFYUTR-GFCCVEGCSA-N 1 0 223.335 3.884 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020305204 633811466 /nfs/dbraw/zinc/81/14/66/633811466.db2.gz LIYKEKNSJFYUTR-LBPRGKRZSA-N 1 0 223.335 3.884 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCC2)cc(C)c1O ZINC000020305207 323084718 /nfs/dbraw/zinc/08/47/18/323084718.db2.gz LCMNONVNWPEPMP-UHFFFAOYSA-N 1 0 247.382 3.821 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C)cc(C)c1O ZINC000020305285 323084690 /nfs/dbraw/zinc/08/46/90/323084690.db2.gz DALKUBRCINNTDM-ABAIWWIYSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)cc(C)c1O ZINC000020305286 323084728 /nfs/dbraw/zinc/08/47/28/323084728.db2.gz DALKUBRCINNTDM-NHYWBVRUSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)cc(C)c1O ZINC000020305288 323084689 /nfs/dbraw/zinc/08/46/89/323084689.db2.gz DALKUBRCINNTDM-IAQYHMDHSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc(C)c1O ZINC000020305289 323084746 /nfs/dbraw/zinc/08/47/46/323084746.db2.gz DALKUBRCINNTDM-XHDPSFHLSA-N 1 0 247.382 3.677 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000020305314 167382794 /nfs/dbraw/zinc/38/27/94/167382794.db2.gz GJGXSSIOCLSATI-CYBMUJFWSA-N 1 0 227.351 3.974 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000020305315 323084696 /nfs/dbraw/zinc/08/46/96/323084696.db2.gz GJGXSSIOCLSATI-ZDUSSCGKSA-N 1 0 227.351 3.974 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305370 342981243 /nfs/dbraw/zinc/98/12/43/342981243.db2.gz KVHCQOJRCJPGAC-NSHDSACASA-N 1 0 223.385 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305371 342981045 /nfs/dbraw/zinc/98/10/45/342981045.db2.gz KVHCQOJRCJPGAC-LLVKDONJSA-N 1 0 223.385 3.543 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000020305427 323084750 /nfs/dbraw/zinc/08/47/50/323084750.db2.gz GSDQFMBLDNCEAE-CYBMUJFWSA-N 1 0 227.351 3.974 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000020305428 323084736 /nfs/dbraw/zinc/08/47/36/323084736.db2.gz GSDQFMBLDNCEAE-ZDUSSCGKSA-N 1 0 227.351 3.974 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305432 323084732 /nfs/dbraw/zinc/08/47/32/323084732.db2.gz FFBDZBGMIWHHJZ-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305433 323084699 /nfs/dbraw/zinc/08/46/99/323084699.db2.gz FFBDZBGMIWHHJZ-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1F ZINC000020305585 323084685 /nfs/dbraw/zinc/08/46/85/323084685.db2.gz OZQSRYXOQMIYAZ-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccccc1F ZINC000020305587 323084754 /nfs/dbraw/zinc/08/47/54/323084754.db2.gz OZQSRYXOQMIYAZ-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000020305672 384612092 /nfs/dbraw/zinc/61/20/92/384612092.db2.gz AOPZTEWOZCENNK-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000020305674 178892687 /nfs/dbraw/zinc/89/26/87/178892687.db2.gz AOPZTEWOZCENNK-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccccn1 ZINC000020306077 342980988 /nfs/dbraw/zinc/98/09/88/342980988.db2.gz DEEKWKGCEZGPQT-CYBMUJFWSA-N 1 0 220.360 3.530 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccccn1 ZINC000020306078 342981008 /nfs/dbraw/zinc/98/10/08/342981008.db2.gz DEEKWKGCEZGPQT-ZDUSSCGKSA-N 1 0 220.360 3.530 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC000020306083 342981063 /nfs/dbraw/zinc/98/10/63/342981063.db2.gz PYRVABYIKMVGIW-CYBMUJFWSA-N 1 0 220.360 3.530 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccnc1 ZINC000020306084 342981675 /nfs/dbraw/zinc/98/16/75/342981675.db2.gz PYRVABYIKMVGIW-ZDUSSCGKSA-N 1 0 220.360 3.530 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccco1 ZINC000020306094 590097116 /nfs/dbraw/zinc/09/71/16/590097116.db2.gz OJQYAQTVLXVZLI-GFCCVEGCSA-N 1 0 209.333 3.728 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccco1 ZINC000020306096 590096821 /nfs/dbraw/zinc/09/68/21/590096821.db2.gz OJQYAQTVLXVZLI-LBPRGKRZSA-N 1 0 209.333 3.728 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccncc1 ZINC000020306114 342981580 /nfs/dbraw/zinc/98/15/80/342981580.db2.gz YCKGHUFUIARKSB-CYBMUJFWSA-N 1 0 220.360 3.530 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccncc1 ZINC000020306115 342981644 /nfs/dbraw/zinc/98/16/44/342981644.db2.gz YCKGHUFUIARKSB-ZDUSSCGKSA-N 1 0 220.360 3.530 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020306266 323084687 /nfs/dbraw/zinc/08/46/87/323084687.db2.gz HNCGTIVKUXTVCX-LLVKDONJSA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000020306267 323084711 /nfs/dbraw/zinc/08/47/11/323084711.db2.gz HNCGTIVKUXTVCX-NSHDSACASA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000020309778 590098153 /nfs/dbraw/zinc/09/81/53/590098153.db2.gz YAZBQJLZUSCLDH-MNOVXSKESA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000020309782 590098188 /nfs/dbraw/zinc/09/81/88/590098188.db2.gz YAZBQJLZUSCLDH-QWRGUYRKSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000020309786 590097547 /nfs/dbraw/zinc/09/75/47/590097547.db2.gz YAZBQJLZUSCLDH-GHMZBOCLSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000020309789 590097821 /nfs/dbraw/zinc/09/78/21/590097821.db2.gz YAZBQJLZUSCLDH-WDEREUQCSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000020361566 167381431 /nfs/dbraw/zinc/38/14/31/167381431.db2.gz BCDPOZLXUPWMLC-MRVPVSSYSA-N 1 0 217.765 3.536 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000020361567 187316204 /nfs/dbraw/zinc/31/62/04/187316204.db2.gz BCDPOZLXUPWMLC-QMMMGPOBSA-N 1 0 217.765 3.536 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000020361644 167382464 /nfs/dbraw/zinc/38/24/64/167382464.db2.gz CWBWGOSCQGLMAX-DMDPSCGWSA-N 1 0 221.344 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000020361645 383873287 /nfs/dbraw/zinc/87/32/87/383873287.db2.gz CWBWGOSCQGLMAX-GMXVVIOVSA-N 1 0 221.344 3.537 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000020361646 167382167 /nfs/dbraw/zinc/38/21/67/167382167.db2.gz CWBWGOSCQGLMAX-LOWVWBTDSA-N 1 0 221.344 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000020361647 343302990 /nfs/dbraw/zinc/30/29/90/343302990.db2.gz CWBWGOSCQGLMAX-GVXVVHGQSA-N 1 0 221.344 3.537 20 0 BHADRO CCCCCC[NH2+][C@@H](C)CCc1ccco1 ZINC000020361880 590103696 /nfs/dbraw/zinc/10/36/96/590103696.db2.gz STTNEIYKQLPEOA-ZDUSSCGKSA-N 1 0 223.360 3.771 20 0 BHADRO CCCCCC[NH2+][C@H](C)CCc1ccco1 ZINC000020361881 590103505 /nfs/dbraw/zinc/10/35/05/590103505.db2.gz STTNEIYKQLPEOA-CYBMUJFWSA-N 1 0 223.360 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCCC2)c(C)o1 ZINC000020437307 178222113 /nfs/dbraw/zinc/22/21/13/178222113.db2.gz JAJDYMHAEFJWET-LLVKDONJSA-N 1 0 221.344 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCCCC2)c(C)o1 ZINC000020437311 178245354 /nfs/dbraw/zinc/24/53/54/178245354.db2.gz JAJDYMHAEFJWET-NSHDSACASA-N 1 0 221.344 3.880 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2)c(C)o1 ZINC000020437444 178228661 /nfs/dbraw/zinc/22/86/61/178228661.db2.gz BRPSFJRZLZWIHW-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2)c(C)o1 ZINC000020437448 178252222 /nfs/dbraw/zinc/25/22/22/178252222.db2.gz BRPSFJRZLZWIHW-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000020437493 347447212 /nfs/dbraw/zinc/44/72/12/347447212.db2.gz QMKMTGWXONUYJB-NSHDSACASA-N 1 0 209.333 3.737 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000020437497 347446698 /nfs/dbraw/zinc/44/66/98/347446698.db2.gz QMKMTGWXONUYJB-LLVKDONJSA-N 1 0 209.333 3.737 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000020437522 169370844 /nfs/dbraw/zinc/37/08/44/169370844.db2.gz VDMVMGQGWBXCAD-KOLCDFICSA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000020437526 169493627 /nfs/dbraw/zinc/49/36/27/169493627.db2.gz VDMVMGQGWBXCAD-ONGXEEELSA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000020437530 169371312 /nfs/dbraw/zinc/37/13/12/169371312.db2.gz VDMVMGQGWBXCAD-MWLCHTKSSA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000020437533 169494145 /nfs/dbraw/zinc/49/41/45/169494145.db2.gz VDMVMGQGWBXCAD-GXSJLCMTSA-N 1 0 209.333 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)C)c(C)o1 ZINC000020437931 178246397 /nfs/dbraw/zinc/24/63/97/178246397.db2.gz HXYUGKRNYVDQAY-NSHDSACASA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)C)c(C)o1 ZINC000020437936 178224428 /nfs/dbraw/zinc/22/44/28/178224428.db2.gz HXYUGKRNYVDQAY-LLVKDONJSA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2)c(C)o1 ZINC000020438154 178224978 /nfs/dbraw/zinc/22/49/78/178224978.db2.gz BKUUMKZZRZEPEJ-CYBMUJFWSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2)c(C)o1 ZINC000020438158 178249387 /nfs/dbraw/zinc/24/93/87/178249387.db2.gz BKUUMKZZRZEPEJ-ZDUSSCGKSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2)c(C)o1 ZINC000020438248 178229774 /nfs/dbraw/zinc/22/97/74/178229774.db2.gz XIHJQUWZNFPQQK-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2)c(C)o1 ZINC000020438251 178250316 /nfs/dbraw/zinc/25/03/16/178250316.db2.gz XIHJQUWZNFPQQK-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2cccs2)c(C)o1 ZINC000020438288 178225852 /nfs/dbraw/zinc/22/58/52/178225852.db2.gz YZVXTMBRVBCDAF-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2cccs2)c(C)o1 ZINC000020438291 178248417 /nfs/dbraw/zinc/24/84/17/178248417.db2.gz YZVXTMBRVBCDAF-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccnc2)c(C)o1 ZINC000020438853 178258218 /nfs/dbraw/zinc/25/82/18/178258218.db2.gz PAJVAXJIKCLTQJ-NEPJUHHUSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c(C)o1 ZINC000020438859 178254341 /nfs/dbraw/zinc/25/43/41/178254341.db2.gz PAJVAXJIKCLTQJ-RYUDHWBXSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c(C)o1 ZINC000020438863 178232274 /nfs/dbraw/zinc/23/22/74/178232274.db2.gz PAJVAXJIKCLTQJ-VXGBXAGGSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c(C)o1 ZINC000020438868 178231693 /nfs/dbraw/zinc/23/16/93/178231693.db2.gz PAJVAXJIKCLTQJ-NWDGAFQWSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C(C2CC2)C2CC2)c(C)o1 ZINC000020438944 538932015 /nfs/dbraw/zinc/93/20/15/538932015.db2.gz HTQJPSQWCWFHHB-SNVBAGLBSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C(C2CC2)C2CC2)c(C)o1 ZINC000020438948 538931853 /nfs/dbraw/zinc/93/18/53/538931853.db2.gz HTQJPSQWCWFHHB-JTQLQIEISA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2)c(C)o1 ZINC000020473260 178229444 /nfs/dbraw/zinc/22/94/44/178229444.db2.gz SYVCFGOLZPKBQR-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(F)c2)c(C)o1 ZINC000020473261 178251838 /nfs/dbraw/zinc/25/18/38/178251838.db2.gz SYVCFGOLZPKBQR-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(F)c1 ZINC000020473453 176113900 /nfs/dbraw/zinc/11/39/00/176113900.db2.gz ZNKNWWNKKWMQLP-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(F)c1 ZINC000020473455 177129854 /nfs/dbraw/zinc/12/98/54/177129854.db2.gz ZNKNWWNKKWMQLP-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO CCC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000020473466 168521411 /nfs/dbraw/zinc/52/14/11/168521411.db2.gz QRDOLRFQJWTMTA-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CCCC[NH+](CCCC)Cc1cccc(N)c1 ZINC000020484511 259398671 /nfs/dbraw/zinc/39/86/71/259398671.db2.gz RREDWDNUGIDKKI-UHFFFAOYSA-N 1 0 234.387 3.671 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000020515231 631753095 /nfs/dbraw/zinc/75/30/95/631753095.db2.gz VVHBVLQHNAHQLX-CABCVRRESA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000020515235 631753147 /nfs/dbraw/zinc/75/31/47/631753147.db2.gz VVHBVLQHNAHQLX-LSDHHAIUSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000020515239 631752507 /nfs/dbraw/zinc/75/25/07/631752507.db2.gz VVHBVLQHNAHQLX-HUUCEWRRSA-N 1 0 246.398 3.737 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020520408 590118063 /nfs/dbraw/zinc/11/80/63/590118063.db2.gz YGUQHACZELOCGP-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000020520410 590117986 /nfs/dbraw/zinc/11/79/86/590117986.db2.gz YGUQHACZELOCGP-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2occc21 ZINC000020520512 583840488 /nfs/dbraw/zinc/84/04/88/583840488.db2.gz OVCLVPBGFWQZEZ-CYBMUJFWSA-N 1 0 221.344 3.827 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2occc21 ZINC000020520513 584883239 /nfs/dbraw/zinc/88/32/39/584883239.db2.gz OVCLVPBGFWQZEZ-ZDUSSCGKSA-N 1 0 221.344 3.827 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)c(C)o1 ZINC000020522476 178254985 /nfs/dbraw/zinc/25/49/85/178254985.db2.gz UXMNVPPYUGPGIL-MNOVXSKESA-N 1 0 209.333 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)c(C)o1 ZINC000020522478 178252547 /nfs/dbraw/zinc/25/25/47/178252547.db2.gz UXMNVPPYUGPGIL-QWRGUYRKSA-N 1 0 209.333 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)c(C)o1 ZINC000020522480 178232237 /nfs/dbraw/zinc/23/22/37/178232237.db2.gz UXMNVPPYUGPGIL-GHMZBOCLSA-N 1 0 209.333 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(C)o1 ZINC000020522482 178228865 /nfs/dbraw/zinc/22/88/65/178228865.db2.gz UXMNVPPYUGPGIL-WDEREUQCSA-N 1 0 209.333 3.592 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1F ZINC000020522696 175177313 /nfs/dbraw/zinc/17/73/13/175177313.db2.gz LODRNVQPHQUOBO-WDEREUQCSA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1F ZINC000020522697 175189703 /nfs/dbraw/zinc/18/97/03/175189703.db2.gz LODRNVQPHQUOBO-QWRGUYRKSA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1F ZINC000020522698 175177889 /nfs/dbraw/zinc/17/78/89/175177889.db2.gz LODRNVQPHQUOBO-GHMZBOCLSA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1F ZINC000020522700 175189769 /nfs/dbraw/zinc/18/97/69/175189769.db2.gz LODRNVQPHQUOBO-MNOVXSKESA-N 1 0 239.334 3.529 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000020522730 259398509 /nfs/dbraw/zinc/39/85/09/259398509.db2.gz HWTLYADWGCUNNZ-MNOVXSKESA-N 1 0 211.374 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000020522732 259398621 /nfs/dbraw/zinc/39/86/21/259398621.db2.gz HWTLYADWGCUNNZ-QWRGUYRKSA-N 1 0 211.374 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000020522734 259398639 /nfs/dbraw/zinc/39/86/39/259398639.db2.gz HWTLYADWGCUNNZ-GHMZBOCLSA-N 1 0 211.374 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000020522736 259398382 /nfs/dbraw/zinc/39/83/82/259398382.db2.gz HWTLYADWGCUNNZ-WDEREUQCSA-N 1 0 211.374 3.752 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(OC)cc1 ZINC000020522923 170907781 /nfs/dbraw/zinc/90/77/81/170907781.db2.gz IGSZKAHCXIQYNH-SWLSCSKDSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(OC)cc1 ZINC000020522924 342747533 /nfs/dbraw/zinc/74/75/33/342747533.db2.gz IGSZKAHCXIQYNH-WFASDCNBSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(OC)cc1 ZINC000020522925 342747504 /nfs/dbraw/zinc/74/75/04/342747504.db2.gz IGSZKAHCXIQYNH-IUODEOHRSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccc(OC)cc1 ZINC000020522927 171544059 /nfs/dbraw/zinc/54/40/59/171544059.db2.gz IGSZKAHCXIQYNH-DOMZBBRYSA-N 1 0 235.371 3.780 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000020522946 167383161 /nfs/dbraw/zinc/38/31/61/167383161.db2.gz ITOIHFPHICRRFJ-ZJUUUORDSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000020522948 343309686 /nfs/dbraw/zinc/30/96/86/343309686.db2.gz ITOIHFPHICRRFJ-UWVGGRQHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000020522950 167385626 /nfs/dbraw/zinc/38/56/26/167385626.db2.gz ITOIHFPHICRRFJ-NXEZZACHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000020522952 383880495 /nfs/dbraw/zinc/88/04/95/383880495.db2.gz ITOIHFPHICRRFJ-VHSXEESVSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000020523033 167383143 /nfs/dbraw/zinc/38/31/43/167383143.db2.gz ABBNYZKALXCKKE-DGCLKSJQSA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000020523034 590118490 /nfs/dbraw/zinc/11/84/90/590118490.db2.gz ABBNYZKALXCKKE-WCQYABFASA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000020523035 167386123 /nfs/dbraw/zinc/38/61/23/167386123.db2.gz ABBNYZKALXCKKE-YPMHNXCESA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000020523036 188112919 /nfs/dbraw/zinc/11/29/19/188112919.db2.gz ABBNYZKALXCKKE-AAEUAGOBSA-N 1 0 235.396 3.858 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020523054 259398901 /nfs/dbraw/zinc/39/89/01/259398901.db2.gz MHZRBWCLKFBSKF-QWHCGFSZSA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020523056 259398985 /nfs/dbraw/zinc/39/89/85/259398985.db2.gz MHZRBWCLKFBSKF-STQMWFEESA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020523058 259399027 /nfs/dbraw/zinc/39/90/27/259399027.db2.gz MHZRBWCLKFBSKF-CHWSQXEVSA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020523060 259398870 /nfs/dbraw/zinc/39/88/70/259398870.db2.gz MHZRBWCLKFBSKF-OLZOCXBDSA-N 1 0 235.371 3.780 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000020523213 259399093 /nfs/dbraw/zinc/39/90/93/259399093.db2.gz RILWPIWRJAQJQC-MNOVXSKESA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000020523214 259399086 /nfs/dbraw/zinc/39/90/86/259399086.db2.gz RILWPIWRJAQJQC-QWRGUYRKSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000020523215 259399242 /nfs/dbraw/zinc/39/92/42/259399242.db2.gz RILWPIWRJAQJQC-GHMZBOCLSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000020523216 259398845 /nfs/dbraw/zinc/39/88/45/259398845.db2.gz RILWPIWRJAQJQC-WDEREUQCSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000020523241 259399042 /nfs/dbraw/zinc/39/90/42/259399042.db2.gz CAYIJVDLSUUZIR-ZJUUUORDSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000020523242 259398925 /nfs/dbraw/zinc/39/89/25/259398925.db2.gz CAYIJVDLSUUZIR-UWVGGRQHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000020523244 259399163 /nfs/dbraw/zinc/39/91/63/259399163.db2.gz CAYIJVDLSUUZIR-NXEZZACHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000020523246 259399008 /nfs/dbraw/zinc/39/90/08/259399008.db2.gz CAYIJVDLSUUZIR-VHSXEESVSA-N 1 0 227.298 3.660 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020523292 259399062 /nfs/dbraw/zinc/39/90/62/259399062.db2.gz FSQLSZRGCUURPS-OLZOCXBDSA-N 1 0 205.345 3.690 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020523293 259399127 /nfs/dbraw/zinc/39/91/27/259399127.db2.gz FSQLSZRGCUURPS-STQMWFEESA-N 1 0 205.345 3.690 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020523294 259399055 /nfs/dbraw/zinc/39/90/55/259399055.db2.gz FSQLSZRGCUURPS-CHWSQXEVSA-N 1 0 205.345 3.690 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020523295 259398886 /nfs/dbraw/zinc/39/88/86/259398886.db2.gz FSQLSZRGCUURPS-QWHCGFSZSA-N 1 0 205.345 3.690 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000020524156 173946325 /nfs/dbraw/zinc/94/63/25/173946325.db2.gz YZXAAIQNKCZEQW-OLZOCXBDSA-N 1 0 235.371 3.541 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000020524157 342989333 /nfs/dbraw/zinc/98/93/33/342989333.db2.gz YZXAAIQNKCZEQW-STQMWFEESA-N 1 0 235.371 3.541 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000020524158 342989630 /nfs/dbraw/zinc/98/96/30/342989630.db2.gz YZXAAIQNKCZEQW-CHWSQXEVSA-N 1 0 235.371 3.541 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000020524159 342989522 /nfs/dbraw/zinc/98/95/22/342989522.db2.gz YZXAAIQNKCZEQW-QWHCGFSZSA-N 1 0 235.371 3.541 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020524303 590118633 /nfs/dbraw/zinc/11/86/33/590118633.db2.gz CFEAVTAXDRRSLQ-CYBMUJFWSA-N 1 0 241.419 3.893 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020524304 584883333 /nfs/dbraw/zinc/88/33/33/584883333.db2.gz CFEAVTAXDRRSLQ-ZDUSSCGKSA-N 1 0 241.419 3.893 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020524454 259399153 /nfs/dbraw/zinc/39/91/53/259399153.db2.gz RSCXTZAFODBWQD-ZOBORPQBSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000020524535 584883294 /nfs/dbraw/zinc/88/32/94/584883294.db2.gz WCKVVTCZIMGMOC-QWHCGFSZSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000020524536 584883337 /nfs/dbraw/zinc/88/33/37/584883337.db2.gz WCKVVTCZIMGMOC-STQMWFEESA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000020524537 582792535 /nfs/dbraw/zinc/79/25/35/582792535.db2.gz WCKVVTCZIMGMOC-CHWSQXEVSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000020524538 584883324 /nfs/dbraw/zinc/88/33/24/584883324.db2.gz WCKVVTCZIMGMOC-OLZOCXBDSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000020524577 259398994 /nfs/dbraw/zinc/39/89/94/259398994.db2.gz SAPCBMFHRYKHSX-KGLIPLIRSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000020524578 259399074 /nfs/dbraw/zinc/39/90/74/259399074.db2.gz SAPCBMFHRYKHSX-KBPBESRZSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020524579 259399020 /nfs/dbraw/zinc/39/90/20/259399020.db2.gz SAPCBMFHRYKHSX-ZIAGYGMSSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020524580 259398940 /nfs/dbraw/zinc/39/89/40/259398940.db2.gz SAPCBMFHRYKHSX-UONOGXRCSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020524637 173945256 /nfs/dbraw/zinc/94/52/56/173945256.db2.gz FWHZMYDZZXUALZ-ZIAGYGMSSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020524638 590118658 /nfs/dbraw/zinc/11/86/58/590118658.db2.gz FWHZMYDZZXUALZ-KGLIPLIRSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020524639 590118604 /nfs/dbraw/zinc/11/86/04/590118604.db2.gz FWHZMYDZZXUALZ-UONOGXRCSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020524640 590118664 /nfs/dbraw/zinc/11/86/64/590118664.db2.gz FWHZMYDZZXUALZ-KBPBESRZSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000020524645 259399032 /nfs/dbraw/zinc/39/90/32/259399032.db2.gz DTGUJLXGVSZRPT-UONOGXRCSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000020524646 259398934 /nfs/dbraw/zinc/39/89/34/259398934.db2.gz DTGUJLXGVSZRPT-KBPBESRZSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000020524647 259399251 /nfs/dbraw/zinc/39/92/51/259399251.db2.gz DTGUJLXGVSZRPT-ZIAGYGMSSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000020524648 259398915 /nfs/dbraw/zinc/39/89/15/259398915.db2.gz DTGUJLXGVSZRPT-KGLIPLIRSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020524707 342989990 /nfs/dbraw/zinc/98/99/90/342989990.db2.gz LKDOSEGLCPPMBA-MNOVXSKESA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020524708 342989955 /nfs/dbraw/zinc/98/99/55/342989955.db2.gz LKDOSEGLCPPMBA-QWRGUYRKSA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020524709 342989999 /nfs/dbraw/zinc/98/99/99/342989999.db2.gz LKDOSEGLCPPMBA-GHMZBOCLSA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020524710 342989773 /nfs/dbraw/zinc/98/97/73/342989773.db2.gz LKDOSEGLCPPMBA-WDEREUQCSA-N 1 0 241.400 3.602 20 0 BHADRO CC(C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000020525271 167102701 /nfs/dbraw/zinc/10/27/01/167102701.db2.gz HOADRPQWFHZIKD-UHFFFAOYSA-N 1 0 243.350 3.607 20 0 BHADRO CC(C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525519 167134790 /nfs/dbraw/zinc/13/47/90/167134790.db2.gz ULIQNENSOIKPIZ-CQSZACIVSA-N 1 0 217.356 3.797 20 0 BHADRO CC(C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525520 167141277 /nfs/dbraw/zinc/14/12/77/167141277.db2.gz ULIQNENSOIKPIZ-AWEZNQCLSA-N 1 0 217.356 3.797 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000020525533 167930019 /nfs/dbraw/zinc/93/00/19/167930019.db2.gz HSNGTZMKKONLGD-OAHLLOKOSA-N 1 0 229.367 3.799 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000020525534 342747241 /nfs/dbraw/zinc/74/72/41/342747241.db2.gz HSNGTZMKKONLGD-HNNXBMFYSA-N 1 0 229.367 3.799 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1cccc(O)c1 ZINC000020544433 259399399 /nfs/dbraw/zinc/39/93/99/259399399.db2.gz CRXPRAORYNOHSX-CYBMUJFWSA-N 1 0 235.371 3.698 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1cccc(O)c1 ZINC000020544435 259399633 /nfs/dbraw/zinc/39/96/33/259399633.db2.gz CRXPRAORYNOHSX-ZDUSSCGKSA-N 1 0 235.371 3.698 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ccccc1F ZINC000020544787 176113212 /nfs/dbraw/zinc/11/32/12/176113212.db2.gz VTSGUPIQKHZPIN-CHWSQXEVSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ccccc1F ZINC000020544792 177129681 /nfs/dbraw/zinc/12/96/81/177129681.db2.gz VTSGUPIQKHZPIN-STQMWFEESA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020545663 259399718 /nfs/dbraw/zinc/39/97/18/259399718.db2.gz QDGRMHNIGKPKHJ-ZOBORPQBSA-N 1 0 211.393 3.835 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020545703 259399635 /nfs/dbraw/zinc/39/96/35/259399635.db2.gz XVRUNWIXHXTVHR-TUAOUCFPSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020545705 259399384 /nfs/dbraw/zinc/39/93/84/259399384.db2.gz XVRUNWIXHXTVHR-SRVKXCTJSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)CCC(C)C ZINC000020545834 259399721 /nfs/dbraw/zinc/39/97/21/259399721.db2.gz YMQWPXMBNAUNCY-GFCCVEGCSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)CCC(C)C ZINC000020545835 259399624 /nfs/dbraw/zinc/39/96/24/259399624.db2.gz YMQWPXMBNAUNCY-LBPRGKRZSA-N 1 0 225.401 3.971 20 0 BHADRO CSCCC[NH2+][C@@H](C)CCCC(C)C ZINC000020545968 259399604 /nfs/dbraw/zinc/39/96/04/259399604.db2.gz BYJHCOOXDUZTHF-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCC[NH2+][C@H](C)CCCC(C)C ZINC000020545969 259399440 /nfs/dbraw/zinc/39/94/40/259399440.db2.gz BYJHCOOXDUZTHF-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000020546643 176081020 /nfs/dbraw/zinc/08/10/20/176081020.db2.gz JJAMSNIJGIAQMR-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000020546644 177082779 /nfs/dbraw/zinc/08/27/79/177082779.db2.gz JJAMSNIJGIAQMR-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000020546645 176088203 /nfs/dbraw/zinc/08/82/03/176088203.db2.gz JJAMSNIJGIAQMR-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000020546647 177088703 /nfs/dbraw/zinc/08/87/03/177088703.db2.gz JJAMSNIJGIAQMR-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO C1=CC[C@H](C[NH2+]C2CCCCCC2)CC1 ZINC000020547463 259399382 /nfs/dbraw/zinc/39/93/82/259399382.db2.gz XFNYSINFBXZXFB-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO C1=CC[C@@H](C[NH2+]C2CCCCCC2)CC1 ZINC000020547465 323090754 /nfs/dbraw/zinc/09/07/54/323090754.db2.gz XFNYSINFBXZXFB-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000020547492 259399497 /nfs/dbraw/zinc/39/94/97/259399497.db2.gz XNLSVBJTRQKBAT-UHFFFAOYSA-N 1 0 217.312 3.713 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC000020547697 349269840 /nfs/dbraw/zinc/26/98/40/349269840.db2.gz CSAGUPSDRJLSML-YPMHNXCESA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC000020547699 349269986 /nfs/dbraw/zinc/26/99/86/349269986.db2.gz CSAGUPSDRJLSML-AAEUAGOBSA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000020547700 259399745 /nfs/dbraw/zinc/39/97/45/259399745.db2.gz CSAGUPSDRJLSML-DGCLKSJQSA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000020547701 349269959 /nfs/dbraw/zinc/26/99/59/349269959.db2.gz CSAGUPSDRJLSML-WCQYABFASA-N 1 0 205.345 3.692 20 0 BHADRO CCC1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000020547893 347445999 /nfs/dbraw/zinc/44/59/99/347445999.db2.gz LWPKHMAINMGBTF-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCc2ccccc21 ZINC000020547930 259399344 /nfs/dbraw/zinc/39/93/44/259399344.db2.gz CUQCTVXMACTFON-OAHLLOKOSA-N 1 0 217.356 3.700 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCc2ccccc21 ZINC000020547932 259399612 /nfs/dbraw/zinc/39/96/12/259399612.db2.gz CUQCTVXMACTFON-HNNXBMFYSA-N 1 0 217.356 3.700 20 0 BHADRO C1=CC[C@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020548206 347445880 /nfs/dbraw/zinc/44/58/80/347445880.db2.gz CGRDMOLCMMEEAO-SIGVMEELSA-N 1 0 245.410 3.901 20 0 BHADRO C1=CC[C@@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020548207 385466337 /nfs/dbraw/zinc/46/63/37/385466337.db2.gz CGRDMOLCMMEEAO-CWJHNBGESA-N 1 0 245.410 3.901 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccs1 ZINC000020548381 259399649 /nfs/dbraw/zinc/39/96/49/259399649.db2.gz OGXDKZWPQSWNGJ-GHMZBOCLSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccs1 ZINC000020548383 259399803 /nfs/dbraw/zinc/39/98/03/259399803.db2.gz OGXDKZWPQSWNGJ-QWRGUYRKSA-N 1 0 223.385 3.662 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C)CC2)s1 ZINC000020549012 178601591 /nfs/dbraw/zinc/60/15/91/178601591.db2.gz ASQZGSJNRGIOKH-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000020549397 385465564 /nfs/dbraw/zinc/46/55/64/385465564.db2.gz IJEJMWWECNSRTA-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2)s1 ZINC000020549996 347446443 /nfs/dbraw/zinc/44/64/43/347446443.db2.gz GDXKAKVJQNHIPK-LBPRGKRZSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)s1 ZINC000020549998 178610496 /nfs/dbraw/zinc/61/04/96/178610496.db2.gz GDXKAKVJQNHIPK-GFCCVEGCSA-N 1 0 245.391 3.950 20 0 BHADRO CCC[C@@H]([NH2+]CC)c1ccc(Cl)cc1 ZINC000020550838 169399586 /nfs/dbraw/zinc/39/95/86/169399586.db2.gz ITVTTZUXISCFTI-GFCCVEGCSA-N 1 0 211.736 3.791 20 0 BHADRO CCC[C@H]([NH2+]CC)c1ccc(Cl)cc1 ZINC000020550840 169510074 /nfs/dbraw/zinc/51/00/74/169510074.db2.gz ITVTTZUXISCFTI-LBPRGKRZSA-N 1 0 211.736 3.791 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000020551549 175351620 /nfs/dbraw/zinc/35/16/20/175351620.db2.gz YJELHSJWIQQMCW-HZSPNIEDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000020551553 175352502 /nfs/dbraw/zinc/35/25/02/175352502.db2.gz YJELHSJWIQQMCW-RDBSUJKOSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1F)c1ccccc1 ZINC000020552373 347449196 /nfs/dbraw/zinc/44/91/96/347449196.db2.gz FVTNRMMBBYFAFE-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1F)c1ccccc1 ZINC000020552374 259399428 /nfs/dbraw/zinc/39/94/28/259399428.db2.gz FVTNRMMBBYFAFE-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000020552574 259399725 /nfs/dbraw/zinc/39/97/25/259399725.db2.gz SLSGDKLBCYBILV-XJKSGUPXSA-N 1 0 227.351 3.620 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000020552575 259399315 /nfs/dbraw/zinc/39/93/15/259399315.db2.gz SLSGDKLBCYBILV-CZUORRHYSA-N 1 0 227.351 3.620 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000020552576 259399544 /nfs/dbraw/zinc/39/95/44/259399544.db2.gz SLSGDKLBCYBILV-BBRMVZONSA-N 1 0 227.351 3.620 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000020552577 259399517 /nfs/dbraw/zinc/39/95/17/259399517.db2.gz SLSGDKLBCYBILV-CJNGLKHVSA-N 1 0 227.351 3.620 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc2ccccc2c1 ZINC000020553298 385468345 /nfs/dbraw/zinc/46/83/45/385468345.db2.gz WUACSTNWILUQIY-UHFFFAOYSA-N 1 0 227.351 3.976 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020554046 385467931 /nfs/dbraw/zinc/46/79/31/385467931.db2.gz NSITXEXIYOWUDL-GFCCVEGCSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020554048 385468099 /nfs/dbraw/zinc/46/80/99/385468099.db2.gz NSITXEXIYOWUDL-LBPRGKRZSA-N 1 0 229.367 3.834 20 0 BHADRO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020554087 387110270 /nfs/dbraw/zinc/11/02/70/387110270.db2.gz CITJFWMIOIMMQF-OAHLLOKOSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000020554089 357013806 /nfs/dbraw/zinc/01/38/06/357013806.db2.gz CITJFWMIOIMMQF-HNNXBMFYSA-N 1 0 229.367 3.916 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000020554652 259308763 /nfs/dbraw/zinc/30/87/63/259308763.db2.gz IAUMGDGTSQMPRR-LBPRGKRZSA-N 1 0 217.356 3.626 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000020554654 259399730 /nfs/dbraw/zinc/39/97/30/259399730.db2.gz IAUMGDGTSQMPRR-GFCCVEGCSA-N 1 0 217.356 3.626 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCCOC1CCCCC1 ZINC000020555776 259399483 /nfs/dbraw/zinc/39/94/83/259399483.db2.gz DWYAWWOEPXHXGG-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H](C)C[NH2+]CCCOC1CCCCC1 ZINC000020555779 259399541 /nfs/dbraw/zinc/39/95/41/259399541.db2.gz DWYAWWOEPXHXGG-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccco1 ZINC000020556261 259399264 /nfs/dbraw/zinc/39/92/64/259399264.db2.gz NWTRLOJWLQHNIF-UHFFFAOYSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1cccnc1 ZINC000020556556 590121401 /nfs/dbraw/zinc/12/14/01/590121401.db2.gz LPPQNFHKDQOHLU-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO Cc1ccsc1C[NH2+]CCCc1ccccc1 ZINC000020556946 347449561 /nfs/dbraw/zinc/44/95/61/347449561.db2.gz QWHPZDNMCDTZHO-UHFFFAOYSA-N 1 0 245.391 3.779 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCc2occc21 ZINC000020557347 168363580 /nfs/dbraw/zinc/36/35/80/168363580.db2.gz TYABIZWVMLFBBL-CYBMUJFWSA-N 1 0 221.344 3.683 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCc2occc21 ZINC000020557349 168365046 /nfs/dbraw/zinc/36/50/46/168365046.db2.gz TYABIZWVMLFBBL-ZDUSSCGKSA-N 1 0 221.344 3.683 20 0 BHADRO c1ccc(CNc2ccc3ccccc3n2)cc1 ZINC000020557806 386795984 /nfs/dbraw/zinc/79/59/84/386795984.db2.gz PBQZDVLJNWXNFO-UHFFFAOYSA-N 1 0 234.302 3.847 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020558027 590121675 /nfs/dbraw/zinc/12/16/75/590121675.db2.gz UZWAHFIEJAQDRX-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020558029 590121351 /nfs/dbraw/zinc/12/13/51/590121351.db2.gz UZWAHFIEJAQDRX-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC1CCCCC1 ZINC000020561540 259399450 /nfs/dbraw/zinc/39/94/50/259399450.db2.gz VPEIYIXZFGWUSE-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC1CCCCC1 ZINC000020561543 259399555 /nfs/dbraw/zinc/39/95/55/259399555.db2.gz VPEIYIXZFGWUSE-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO CC(C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000020562602 166883321 /nfs/dbraw/zinc/88/33/21/166883321.db2.gz LZZHXYVEWFHPBY-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCOCC(C)C)cc1 ZINC000020563622 385469234 /nfs/dbraw/zinc/46/92/34/385469234.db2.gz HAINAMNFQIDAAO-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCOCC(C)C)cc1 ZINC000020563624 259399970 /nfs/dbraw/zinc/39/99/70/259399970.db2.gz HAINAMNFQIDAAO-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000020564014 385470228 /nfs/dbraw/zinc/47/02/28/385470228.db2.gz GJJJCZWOWMMYEN-GDBMZVCRSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000020564016 385470208 /nfs/dbraw/zinc/47/02/08/385470208.db2.gz GJJJCZWOWMMYEN-GOEBONIOSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000020564018 385469124 /nfs/dbraw/zinc/46/91/24/385469124.db2.gz GJJJCZWOWMMYEN-ZBFHGGJFSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000020564020 385468896 /nfs/dbraw/zinc/46/88/96/385468896.db2.gz GJJJCZWOWMMYEN-HOCLYGCPSA-N 1 0 231.383 3.788 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C1CCCCC1 ZINC000020564278 385469282 /nfs/dbraw/zinc/46/92/82/385469282.db2.gz IENZWGQOQRLRQY-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO Clc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000020564602 347452751 /nfs/dbraw/zinc/45/27/51/347452751.db2.gz LYHUYDIHHCYMKU-LBPRGKRZSA-N 1 0 235.758 3.786 20 0 BHADRO Clc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000020564604 347452290 /nfs/dbraw/zinc/45/22/90/347452290.db2.gz LYHUYDIHHCYMKU-GFCCVEGCSA-N 1 0 235.758 3.786 20 0 BHADRO CCC(CC)C[NH2+]CCCOC1CCCCC1 ZINC000020565198 168360180 /nfs/dbraw/zinc/36/01/80/168360180.db2.gz IJJRGIJUWUMZMV-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(F)cc1 ZINC000020565548 385471903 /nfs/dbraw/zinc/47/19/03/385471903.db2.gz DRHIGZRUVKVIIX-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(F)cc1 ZINC000020565550 385471022 /nfs/dbraw/zinc/47/10/22/385471022.db2.gz DRHIGZRUVKVIIX-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000020565657 385471370 /nfs/dbraw/zinc/47/13/70/385471370.db2.gz DKUASXGCERXFPC-AWEZNQCLSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000020565658 385470587 /nfs/dbraw/zinc/47/05/87/385470587.db2.gz DKUASXGCERXFPC-CQSZACIVSA-N 1 0 249.398 4.000 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccccc1OC ZINC000020565751 385470571 /nfs/dbraw/zinc/47/05/71/385470571.db2.gz PVRODPZHFQDQKQ-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccccc1OC ZINC000020565752 385470959 /nfs/dbraw/zinc/47/09/59/385470959.db2.gz PVRODPZHFQDQKQ-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCCOC(C)C)c(C)c1 ZINC000020565814 385471541 /nfs/dbraw/zinc/47/15/41/385471541.db2.gz ITAVCVVODZDJJL-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO CCC1CCC([NH2+]CCc2ccccc2)CC1 ZINC000020565938 259399980 /nfs/dbraw/zinc/39/99/80/259399980.db2.gz CSRHFMMSQYMJFX-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CCC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000020566313 259399966 /nfs/dbraw/zinc/39/99/66/259399966.db2.gz SEYUTJMFWSYSOK-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000020566550 385470928 /nfs/dbraw/zinc/47/09/28/385470928.db2.gz OJSGKPOINOYSBH-KBPBESRZSA-N 1 0 219.372 3.642 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000020566551 259399992 /nfs/dbraw/zinc/39/99/92/259399992.db2.gz OJSGKPOINOYSBH-KGLIPLIRSA-N 1 0 219.372 3.642 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000020566552 385471974 /nfs/dbraw/zinc/47/19/74/385471974.db2.gz OJSGKPOINOYSBH-UONOGXRCSA-N 1 0 219.372 3.642 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000020566554 259399974 /nfs/dbraw/zinc/39/99/74/259399974.db2.gz OJSGKPOINOYSBH-ZIAGYGMSSA-N 1 0 219.372 3.642 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000020566815 385471359 /nfs/dbraw/zinc/47/13/59/385471359.db2.gz ZMLIVEZUFDULAZ-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000020566816 385470876 /nfs/dbraw/zinc/47/08/76/385470876.db2.gz ZMLIVEZUFDULAZ-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000020566817 259399978 /nfs/dbraw/zinc/39/99/78/259399978.db2.gz ZMLIVEZUFDULAZ-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000020566818 385471829 /nfs/dbraw/zinc/47/18/29/385471829.db2.gz ZMLIVEZUFDULAZ-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000020566976 385471349 /nfs/dbraw/zinc/47/13/49/385471349.db2.gz LQVQAYBAKHDBEZ-MOKVOYLWSA-N 1 0 207.361 3.511 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000020566977 385470636 /nfs/dbraw/zinc/47/06/36/385470636.db2.gz LQVQAYBAKHDBEZ-ROKHWSDSSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000020567111 385471564 /nfs/dbraw/zinc/47/15/64/385471564.db2.gz GHDCWKRQBOLLFU-CQSZACIVSA-N 1 0 219.372 3.643 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC000020567112 259399972 /nfs/dbraw/zinc/39/99/72/259399972.db2.gz GHDCWKRQBOLLFU-AWEZNQCLSA-N 1 0 219.372 3.643 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000021008379 259308977 /nfs/dbraw/zinc/30/89/77/259308977.db2.gz NOVJAFGLLKEYQD-GFCCVEGCSA-N 1 0 217.356 3.842 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000021008381 386205790 /nfs/dbraw/zinc/20/57/90/386205790.db2.gz NOVJAFGLLKEYQD-LBPRGKRZSA-N 1 0 217.356 3.842 20 0 BHADRO Fc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000021008647 180996589 /nfs/dbraw/zinc/99/65/89/180996589.db2.gz NQIUEIZORPTLQK-UHFFFAOYSA-N 1 0 233.330 3.806 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ccccc1 ZINC000021008651 386204831 /nfs/dbraw/zinc/20/48/31/386204831.db2.gz GJCFSILGQRTYKD-ZIAGYGMSSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ccccc1 ZINC000021008653 386206064 /nfs/dbraw/zinc/20/60/64/386206064.db2.gz GJCFSILGQRTYKD-KBPBESRZSA-N 1 0 231.383 3.643 20 0 BHADRO CCC[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000021008689 169369721 /nfs/dbraw/zinc/36/97/21/169369721.db2.gz QYYCIPPZZYQILR-CQSZACIVSA-N 1 0 244.382 3.810 20 0 BHADRO CCC[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000021008690 386206272 /nfs/dbraw/zinc/20/62/72/386206272.db2.gz QYYCIPPZZYQILR-AWEZNQCLSA-N 1 0 244.382 3.810 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC000021009573 169359476 /nfs/dbraw/zinc/35/94/76/169359476.db2.gz JCQXQJBDVNBXME-CQSZACIVSA-N 1 0 219.372 3.645 20 0 BHADRO CCC[C@H](C)C[NH2+]CCCc1ccccc1 ZINC000021009575 169481474 /nfs/dbraw/zinc/48/14/74/169481474.db2.gz JCQXQJBDVNBXME-AWEZNQCLSA-N 1 0 219.372 3.645 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000021010321 386203290 /nfs/dbraw/zinc/20/32/90/386203290.db2.gz LVTJFPSANDIFCX-KGLIPLIRSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000021010323 386201766 /nfs/dbraw/zinc/20/17/66/386201766.db2.gz LVTJFPSANDIFCX-KBPBESRZSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000021010325 386202242 /nfs/dbraw/zinc/20/22/42/386202242.db2.gz LVTJFPSANDIFCX-ZIAGYGMSSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000021010327 386202273 /nfs/dbraw/zinc/20/22/73/386202273.db2.gz LVTJFPSANDIFCX-UONOGXRCSA-N 1 0 219.372 3.643 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cccs1 ZINC000021010335 590163886 /nfs/dbraw/zinc/16/38/86/590163886.db2.gz POLJDUILHUJTTI-LLVKDONJSA-N 1 0 211.374 3.807 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cccs1 ZINC000021010337 590163893 /nfs/dbraw/zinc/16/38/93/590163893.db2.gz POLJDUILHUJTTI-NSHDSACASA-N 1 0 211.374 3.807 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000021010738 643067396 /nfs/dbraw/zinc/06/73/96/643067396.db2.gz NIEDDAHBOZAIBC-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000021010740 643317320 /nfs/dbraw/zinc/31/73/20/643317320.db2.gz NIEDDAHBOZAIBC-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021010774 259418700 /nfs/dbraw/zinc/41/87/00/259418700.db2.gz GZIPGXZMJAHMDX-SNVBAGLBSA-N 1 0 245.288 3.841 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021010775 386202521 /nfs/dbraw/zinc/20/25/21/386202521.db2.gz GZIPGXZMJAHMDX-JTQLQIEISA-N 1 0 245.288 3.841 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000021010828 386201889 /nfs/dbraw/zinc/20/18/89/386201889.db2.gz CVKSIXZHAKZUGJ-NEPJUHHUSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000021010829 259418702 /nfs/dbraw/zinc/41/87/02/259418702.db2.gz CVKSIXZHAKZUGJ-RYUDHWBXSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000021010830 386202563 /nfs/dbraw/zinc/20/25/63/386202563.db2.gz CVKSIXZHAKZUGJ-VXGBXAGGSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000021010831 386201965 /nfs/dbraw/zinc/20/19/65/386201965.db2.gz CVKSIXZHAKZUGJ-NWDGAFQWSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1cccc(C[NH2+]CCCc2ccccc2)c1 ZINC000021011020 179092337 /nfs/dbraw/zinc/09/23/37/179092337.db2.gz SAMWKWGGLRJICP-UHFFFAOYSA-N 1 0 239.362 3.717 20 0 BHADRO CC(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC000021011609 386203525 /nfs/dbraw/zinc/20/35/25/386203525.db2.gz YOXQSXRKRUAWJI-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC000021011815 259418688 /nfs/dbraw/zinc/41/86/88/259418688.db2.gz FKFDQDVXLDSOBP-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC000021011817 386202921 /nfs/dbraw/zinc/20/29/21/386202921.db2.gz FKFDQDVXLDSOBP-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)CCC(C)C ZINC000021012334 259309045 /nfs/dbraw/zinc/30/90/45/259309045.db2.gz QBBCBPIDPBXNIN-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)CCC(C)C ZINC000021012335 386205832 /nfs/dbraw/zinc/20/58/32/386205832.db2.gz QBBCBPIDPBXNIN-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000021013921 183441859 /nfs/dbraw/zinc/44/18/59/183441859.db2.gz UXQIMIIOBMAYTR-MRXNPFEDSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000021013922 384852981 /nfs/dbraw/zinc/85/29/81/384852981.db2.gz UXQIMIIOBMAYTR-INIZCTEOSA-N 1 0 241.378 3.842 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000021014889 179281804 /nfs/dbraw/zinc/28/18/04/179281804.db2.gz HCWYEEYOKNIWQY-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000021014891 386208316 /nfs/dbraw/zinc/20/83/16/386208316.db2.gz HCWYEEYOKNIWQY-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1cccs1 ZINC000021015046 343002444 /nfs/dbraw/zinc/00/24/44/343002444.db2.gz SEOLAJKYRMMAQB-GFCCVEGCSA-N 1 0 225.401 3.849 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1cccs1 ZINC000021015048 168742995 /nfs/dbraw/zinc/74/29/95/168742995.db2.gz SEOLAJKYRMMAQB-LBPRGKRZSA-N 1 0 225.401 3.849 20 0 BHADRO CCC(CC)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000021015450 168360479 /nfs/dbraw/zinc/36/04/79/168360479.db2.gz GCIICQZONZZROG-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000021016547 259418695 /nfs/dbraw/zinc/41/86/95/259418695.db2.gz JODKPEFQDXBWHN-GRYCIOLGSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000021016555 386208469 /nfs/dbraw/zinc/20/84/69/386208469.db2.gz JODKPEFQDXBWHN-WOPDTQHZSA-N 1 0 223.385 3.977 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(O)cc1 ZINC000021017124 371357785 /nfs/dbraw/zinc/35/77/85/371357785.db2.gz AZPWZJHEIYTVNI-CYBMUJFWSA-N 1 0 235.371 3.698 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccc(O)cc1 ZINC000021017128 371357244 /nfs/dbraw/zinc/35/72/44/371357244.db2.gz AZPWZJHEIYTVNI-ZDUSSCGKSA-N 1 0 235.371 3.698 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC2)cc1C ZINC000021018120 259309021 /nfs/dbraw/zinc/30/90/21/259309021.db2.gz FOIOVKKGYNRNAG-CYBMUJFWSA-N 1 0 217.356 3.672 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+]CC2CC2)cc1C ZINC000021018124 386207338 /nfs/dbraw/zinc/20/73/38/386207338.db2.gz FOIOVKKGYNRNAG-ZDUSSCGKSA-N 1 0 217.356 3.672 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000021019930 168668068 /nfs/dbraw/zinc/66/80/68/168668068.db2.gz HLLMUXVBMWYSJI-LBPRGKRZSA-N 1 0 249.354 3.646 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000021019934 590164239 /nfs/dbraw/zinc/16/42/39/590164239.db2.gz HLLMUXVBMWYSJI-GFCCVEGCSA-N 1 0 249.354 3.646 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000021020348 590164079 /nfs/dbraw/zinc/16/40/79/590164079.db2.gz LDOMHXCHJRWLCQ-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000021020352 590164115 /nfs/dbraw/zinc/16/41/15/590164115.db2.gz LDOMHXCHJRWLCQ-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO Fc1cccc(C[NH2+]CCCc2ccccc2)c1 ZINC000021025154 180996096 /nfs/dbraw/zinc/99/60/96/180996096.db2.gz VKRIUBBTVIOXHS-UHFFFAOYSA-N 1 0 243.325 3.548 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000021026275 350371196 /nfs/dbraw/zinc/37/11/96/350371196.db2.gz AUGBFVFYPRZPQR-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021026283 350370623 /nfs/dbraw/zinc/37/06/23/350370623.db2.gz AUGBFVFYPRZPQR-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000021026291 178625109 /nfs/dbraw/zinc/62/51/09/178625109.db2.gz AUGBFVFYPRZPQR-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021026300 350371058 /nfs/dbraw/zinc/37/10/58/350371058.db2.gz AUGBFVFYPRZPQR-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCCC1 ZINC000021026592 387145429 /nfs/dbraw/zinc/14/54/29/387145429.db2.gz RHQUPPDAZLOGNA-MRXNPFEDSA-N 1 0 229.367 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000021026602 183442279 /nfs/dbraw/zinc/44/22/79/183442279.db2.gz RHQUPPDAZLOGNA-INIZCTEOSA-N 1 0 229.367 3.986 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc2c(c1)CCCC2 ZINC000021030082 386215948 /nfs/dbraw/zinc/21/59/48/386215948.db2.gz BZMDWXXFKOYEAW-GFCCVEGCSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc2c(c1)CCCC2 ZINC000021030090 386215088 /nfs/dbraw/zinc/21/50/88/386215088.db2.gz BZMDWXXFKOYEAW-LBPRGKRZSA-N 1 0 229.367 3.626 20 0 BHADRO CCCCCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000021038810 350371600 /nfs/dbraw/zinc/37/16/00/350371600.db2.gz GJZLGTOVAFQSLU-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000021040837 183372862 /nfs/dbraw/zinc/37/28/62/183372862.db2.gz SHTOQNDMFAAYQK-CQSZACIVSA-N 1 0 233.355 3.969 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000021040844 183371906 /nfs/dbraw/zinc/37/19/06/183371906.db2.gz SHTOQNDMFAAYQK-AWEZNQCLSA-N 1 0 233.355 3.969 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000021041968 350371424 /nfs/dbraw/zinc/37/14/24/350371424.db2.gz WEMMMCWCQBGWHK-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000021041974 386214088 /nfs/dbraw/zinc/21/40/88/386214088.db2.gz WEMMMCWCQBGWHK-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021043261 168362718 /nfs/dbraw/zinc/36/27/18/168362718.db2.gz RPQMQYKYKYSCLI-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000021043267 168365148 /nfs/dbraw/zinc/36/51/48/168365148.db2.gz RPQMQYKYKYSCLI-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO Cc1ccccc1C[NH2+]C1CCC(C)CC1 ZINC000021043636 350374603 /nfs/dbraw/zinc/37/46/03/350374603.db2.gz KVUCCQLIOGQEPZ-UHFFFAOYSA-N 1 0 217.356 3.663 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccco2)CC1 ZINC000021050709 323098029 /nfs/dbraw/zinc/09/80/29/323098029.db2.gz TZRLJNXBEIFYLT-UHFFFAOYSA-N 1 0 221.344 3.728 20 0 BHADRO CCCOc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000021052699 169318772 /nfs/dbraw/zinc/31/87/72/169318772.db2.gz CMJCJOZNRBTVSV-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000021053376 343003023 /nfs/dbraw/zinc/00/30/23/343003023.db2.gz BSXLKUPBJKBFFT-CHWSQXEVSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000021053381 171365027 /nfs/dbraw/zinc/36/50/27/171365027.db2.gz BSXLKUPBJKBFFT-QWHCGFSZSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000021053388 343002928 /nfs/dbraw/zinc/00/29/28/343002928.db2.gz BSXLKUPBJKBFFT-OLZOCXBDSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000021053395 171388621 /nfs/dbraw/zinc/38/86/21/171388621.db2.gz BSXLKUPBJKBFFT-STQMWFEESA-N 1 0 209.377 3.901 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000021056886 259419364 /nfs/dbraw/zinc/41/93/64/259419364.db2.gz BPCJVPYEJMIDSY-RDJZCZTQSA-N 1 0 243.394 3.954 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000021056891 386230225 /nfs/dbraw/zinc/23/02/25/386230225.db2.gz BPCJVPYEJMIDSY-WBVHZDCISA-N 1 0 243.394 3.954 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000021056896 259419312 /nfs/dbraw/zinc/41/93/12/259419312.db2.gz BPCJVPYEJMIDSY-DOTOQJQBSA-N 1 0 243.394 3.954 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000021056901 259419322 /nfs/dbraw/zinc/41/93/22/259419322.db2.gz BPCJVPYEJMIDSY-NVXWUHKLSA-N 1 0 243.394 3.954 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021059145 386230314 /nfs/dbraw/zinc/23/03/14/386230314.db2.gz NCJBHUPVKBQNKF-BFHYXJOUSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021059153 386230958 /nfs/dbraw/zinc/23/09/58/386230958.db2.gz NCJBHUPVKBQNKF-MJBXVCDLSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1ccncc1 ZINC000021061296 590164997 /nfs/dbraw/zinc/16/49/97/590164997.db2.gz PLIVENBWRFJRHS-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021062096 323098046 /nfs/dbraw/zinc/09/80/46/323098046.db2.gz AMIGNBHHJGNGBL-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021062100 323098040 /nfs/dbraw/zinc/09/80/40/323098040.db2.gz AMIGNBHHJGNGBL-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021062104 323098027 /nfs/dbraw/zinc/09/80/27/323098027.db2.gz AMIGNBHHJGNGBL-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021062107 386229167 /nfs/dbraw/zinc/22/91/67/386229167.db2.gz AMIGNBHHJGNGBL-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cccc(C)c2)cc1 ZINC000021062238 386230775 /nfs/dbraw/zinc/23/07/75/386230775.db2.gz NBJPYNWGHSODLH-UHFFFAOYSA-N 1 0 239.362 3.847 20 0 BHADRO CCC(C)(C)C1CCC([NH2+]CCCOC)CC1 ZINC000021062490 386230453 /nfs/dbraw/zinc/23/04/53/386230453.db2.gz YCRAVPIWGNNNHF-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000021062808 357947104 /nfs/dbraw/zinc/94/71/04/357947104.db2.gz XZEPKLPFKFNVBO-UHFFFAOYSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000021499955 259420576 /nfs/dbraw/zinc/42/05/76/259420576.db2.gz PNCIVICHADHNCQ-KBMXLJTQSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000021499958 386469789 /nfs/dbraw/zinc/46/97/89/386469789.db2.gz PNCIVICHADHNCQ-BMFZPTHFSA-N 1 0 246.398 3.632 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000021500330 371434982 /nfs/dbraw/zinc/43/49/82/371434982.db2.gz ZJBOQSRYTLFXHL-AWEZNQCLSA-N 1 0 231.383 3.960 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000021500332 371435933 /nfs/dbraw/zinc/43/59/33/371435933.db2.gz ZJBOQSRYTLFXHL-CQSZACIVSA-N 1 0 231.383 3.960 20 0 BHADRO CC(C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000021501167 386471200 /nfs/dbraw/zinc/47/12/00/386471200.db2.gz RKZPUCPUFLHFNR-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO Fc1ccc(C[NH2+]C2CCCCCC2)cc1F ZINC000021503750 350494243 /nfs/dbraw/zinc/49/42/43/350494243.db2.gz QBRPHCZBHDJWDW-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC(CC)[NH2+]CCCn1ccc2ccccc21 ZINC000021503829 386479755 /nfs/dbraw/zinc/47/97/55/386479755.db2.gz YQMWIHLJVAQLCA-UHFFFAOYSA-N 1 0 244.382 3.810 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000021504019 388812046 /nfs/dbraw/zinc/81/20/46/388812046.db2.gz WFWJPVDOGWGTLF-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000021504021 262746847 /nfs/dbraw/zinc/74/68/47/262746847.db2.gz WFWJPVDOGWGTLF-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(C)cc1 ZINC000021504551 384652084 /nfs/dbraw/zinc/65/20/84/384652084.db2.gz DHSORMTZBLYJFA-MRXNPFEDSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)c1ccc(C)cc1 ZINC000021504553 346529330 /nfs/dbraw/zinc/52/93/30/346529330.db2.gz DHSORMTZBLYJFA-INIZCTEOSA-N 1 0 249.398 3.851 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000021504905 343140161 /nfs/dbraw/zinc/14/01/61/343140161.db2.gz YCZYWVSNLFQMFI-CYBMUJFWSA-N 1 0 205.345 3.745 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccccc1 ZINC000021504906 343140398 /nfs/dbraw/zinc/14/03/98/343140398.db2.gz YCZYWVSNLFQMFI-ZDUSSCGKSA-N 1 0 205.345 3.745 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021505038 262746963 /nfs/dbraw/zinc/74/69/63/262746963.db2.gz DFHWXMKKQXWNIW-TUAOUCFPSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021505041 262746824 /nfs/dbraw/zinc/74/68/24/262746824.db2.gz DFHWXMKKQXWNIW-SRVKXCTJSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCCC(C)C)o1 ZINC000021506038 518188860 /nfs/dbraw/zinc/18/88/60/518188860.db2.gz GHVPWHSBCNNXHW-GFCCVEGCSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCCC(C)C)o1 ZINC000021506040 386478721 /nfs/dbraw/zinc/47/87/21/386478721.db2.gz GHVPWHSBCNNXHW-LBPRGKRZSA-N 1 0 223.360 3.892 20 0 BHADRO CCCCCC[NH2+]Cc1cccc2cccnc21 ZINC000021506140 590192125 /nfs/dbraw/zinc/19/21/25/590192125.db2.gz IXLKWPILPKLCTP-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CCOc1ccccc1C[NH2+]C1CCC(C)CC1 ZINC000021506334 343014759 /nfs/dbraw/zinc/01/47/59/343014759.db2.gz JYWFKCLRMZSTEA-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)C)s1 ZINC000021506404 386482414 /nfs/dbraw/zinc/48/24/14/386482414.db2.gz RKLKCQZFCVLOBF-LLVKDONJSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)C)s1 ZINC000021506406 386482369 /nfs/dbraw/zinc/48/23/69/386482369.db2.gz RKLKCQZFCVLOBF-NSHDSACASA-N 1 0 225.401 3.971 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCCOCC(C)C ZINC000021507456 386481817 /nfs/dbraw/zinc/48/18/17/386481817.db2.gz KLOYUWSZKDYGQV-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCOCC(C)C ZINC000021507458 259421241 /nfs/dbraw/zinc/42/12/41/259421241.db2.gz KLOYUWSZKDYGQV-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO CCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000021508539 350493829 /nfs/dbraw/zinc/49/38/29/350493829.db2.gz VMFBHHSIQXLESN-UHFFFAOYSA-N 1 0 245.288 3.985 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1F ZINC000021508627 386482183 /nfs/dbraw/zinc/48/21/83/386482183.db2.gz GYHMUPJZDSGPMZ-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1F ZINC000021508630 259421338 /nfs/dbraw/zinc/42/13/38/259421338.db2.gz GYHMUPJZDSGPMZ-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000021508826 386481267 /nfs/dbraw/zinc/48/12/67/386481267.db2.gz OWKQSFBPWZRQFM-GFCCVEGCSA-N 1 0 223.335 3.740 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000021508827 386481070 /nfs/dbraw/zinc/48/10/70/386481070.db2.gz OWKQSFBPWZRQFM-LBPRGKRZSA-N 1 0 223.335 3.740 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccccc2)c(C)c1 ZINC000021508976 350493589 /nfs/dbraw/zinc/49/35/89/350493589.db2.gz NJMPXVVIMNGQIM-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021509168 386481412 /nfs/dbraw/zinc/48/14/12/386481412.db2.gz YPZIAJALNSNMRF-ZIAGYGMSSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021509170 386481480 /nfs/dbraw/zinc/48/14/80/386481480.db2.gz YPZIAJALNSNMRF-KGLIPLIRSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000021509172 386481603 /nfs/dbraw/zinc/48/16/03/386481603.db2.gz YPZIAJALNSNMRF-UONOGXRCSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000021509174 386481529 /nfs/dbraw/zinc/48/15/29/386481529.db2.gz YPZIAJALNSNMRF-KBPBESRZSA-N 1 0 219.372 3.814 20 0 BHADRO Clc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000021509787 386481491 /nfs/dbraw/zinc/48/14/91/386481491.db2.gz RTWNTMIGQUFFBC-LBPRGKRZSA-N 1 0 235.758 3.786 20 0 BHADRO Clc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000021509789 386482068 /nfs/dbraw/zinc/48/20/68/386482068.db2.gz RTWNTMIGQUFFBC-GFCCVEGCSA-N 1 0 235.758 3.786 20 0 BHADRO c1ccc(CCC[NH2+]C2CCCCCC2)cc1 ZINC000021511749 183391621 /nfs/dbraw/zinc/39/16/21/183391621.db2.gz XTPFHEXBRPLLPB-UHFFFAOYSA-N 1 0 231.383 3.932 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000021512200 323099629 /nfs/dbraw/zinc/09/96/29/323099629.db2.gz RATYRISJBUDTIY-GFCCVEGCSA-N 1 0 239.790 3.907 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000021512202 323099581 /nfs/dbraw/zinc/09/95/81/323099581.db2.gz RATYRISJBUDTIY-LBPRGKRZSA-N 1 0 239.790 3.907 20 0 BHADRO CCC1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000021513779 356510234 /nfs/dbraw/zinc/51/02/34/356510234.db2.gz QWRWWKZAHHUUSP-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO CCCCCOc1ccc(C[NH2+]CC2CC2)cc1 ZINC000021514332 323099637 /nfs/dbraw/zinc/09/96/37/323099637.db2.gz KISDCJVJXZLPPD-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]CC1CCCCC1 ZINC000021515375 183373757 /nfs/dbraw/zinc/37/37/57/183373757.db2.gz XHBLRJGQZZMZPD-CQSZACIVSA-N 1 0 233.355 3.827 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]CC1CCCCC1 ZINC000021515377 183372242 /nfs/dbraw/zinc/37/22/42/183372242.db2.gz XHBLRJGQZZMZPD-AWEZNQCLSA-N 1 0 233.355 3.827 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)C)o1 ZINC000021516266 488022236 /nfs/dbraw/zinc/02/22/36/488022236.db2.gz ZTOYIGFDNUOLGW-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)C)o1 ZINC000021516267 488022339 /nfs/dbraw/zinc/02/23/39/488022339.db2.gz ZTOYIGFDNUOLGW-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCSC1 ZINC000021516338 384669249 /nfs/dbraw/zinc/66/92/49/384669249.db2.gz ZVEVPQJUHYLPMR-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCSC1 ZINC000021516339 384667706 /nfs/dbraw/zinc/66/77/06/384667706.db2.gz ZVEVPQJUHYLPMR-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000021516468 386474927 /nfs/dbraw/zinc/47/49/27/386474927.db2.gz USKQJARPAMASAJ-KBMXLJTQSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000021516470 386476692 /nfs/dbraw/zinc/47/66/92/386476692.db2.gz USKQJARPAMASAJ-BMFZPTHFSA-N 1 0 246.398 3.632 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000021516521 386475673 /nfs/dbraw/zinc/47/56/73/386475673.db2.gz YLAJBSWAVQPMAE-ZIAGYGMSSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000021516522 386476586 /nfs/dbraw/zinc/47/65/86/386476586.db2.gz YLAJBSWAVQPMAE-UONOGXRCSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000021516523 169360227 /nfs/dbraw/zinc/36/02/27/169360227.db2.gz YLAJBSWAVQPMAE-KGLIPLIRSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000021516524 386475952 /nfs/dbraw/zinc/47/59/52/386475952.db2.gz YLAJBSWAVQPMAE-KBPBESRZSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000021517248 343014755 /nfs/dbraw/zinc/01/47/55/343014755.db2.gz PXEVECSHSZZQEI-UPJWGTAASA-N 1 0 205.345 3.772 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000021517250 343014727 /nfs/dbraw/zinc/01/47/27/343014727.db2.gz PXEVECSHSZZQEI-AGIUHOORSA-N 1 0 205.345 3.772 20 0 BHADRO C1=CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC000021517275 262746877 /nfs/dbraw/zinc/74/68/77/262746877.db2.gz GHGUXDRMDDSTDU-HNNXBMFYSA-N 1 0 219.372 3.823 20 0 BHADRO C1=CC[C@@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC000021517276 386476824 /nfs/dbraw/zinc/47/68/24/386476824.db2.gz GHGUXDRMDDSTDU-OAHLLOKOSA-N 1 0 219.372 3.823 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)CCC)cc1 ZINC000021517654 169318756 /nfs/dbraw/zinc/31/87/56/169318756.db2.gz JYMAXFZKAAPPQL-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)CCC)cc1 ZINC000021517655 169319480 /nfs/dbraw/zinc/31/94/80/169319480.db2.gz JYMAXFZKAAPPQL-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000021517718 357950328 /nfs/dbraw/zinc/95/03/28/357950328.db2.gz JXDXVRVHABYZJT-FKZOYECMSA-N 1 0 209.377 3.733 20 0 BHADRO CC1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000021517719 357950253 /nfs/dbraw/zinc/95/02/53/357950253.db2.gz JXDXVRVHABYZJT-HHTDUIENSA-N 1 0 209.377 3.733 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000021517720 357950546 /nfs/dbraw/zinc/95/05/46/357950546.db2.gz JXDXVRVHABYZJT-GNRIBBGQSA-N 1 0 209.377 3.733 20 0 BHADRO CC1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000021517721 357950233 /nfs/dbraw/zinc/95/02/33/357950233.db2.gz JXDXVRVHABYZJT-YIOUJQMASA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc(C[NH2+]C(C2CC2)C2CC2)c(C)c1 ZINC000021518190 350492786 /nfs/dbraw/zinc/49/27/86/350492786.db2.gz LNXCNBJQTBOUNE-UHFFFAOYSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000021518322 179284840 /nfs/dbraw/zinc/28/48/40/179284840.db2.gz AIMFWKCQCGOFCX-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000021518323 179283852 /nfs/dbraw/zinc/28/38/52/179283852.db2.gz AIMFWKCQCGOFCX-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000021518324 179283235 /nfs/dbraw/zinc/28/32/35/179283235.db2.gz AIMFWKCQCGOFCX-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021518325 179283629 /nfs/dbraw/zinc/28/36/29/179283629.db2.gz AIMFWKCQCGOFCX-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021518511 350492928 /nfs/dbraw/zinc/49/29/28/350492928.db2.gz IEYCOBNIMDXRKW-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000021518512 386476592 /nfs/dbraw/zinc/47/65/92/386476592.db2.gz IEYCOBNIMDXRKW-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000021518686 386475981 /nfs/dbraw/zinc/47/59/81/386475981.db2.gz HLYHQKTZCIFBCO-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000021518687 386475468 /nfs/dbraw/zinc/47/54/68/386475468.db2.gz HLYHQKTZCIFBCO-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000021518804 590192523 /nfs/dbraw/zinc/19/25/23/590192523.db2.gz XFCIFBXHFPTHMD-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccccc1OC ZINC000021518805 590191448 /nfs/dbraw/zinc/19/14/48/590191448.db2.gz XFCIFBXHFPTHMD-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c(O)c1 ZINC000021518879 590192271 /nfs/dbraw/zinc/19/22/71/590192271.db2.gz OMJGYGRTCRFFKD-IPYPFGDCSA-N 1 0 247.382 3.930 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000021518881 590192296 /nfs/dbraw/zinc/19/22/96/590192296.db2.gz OMJGYGRTCRFFKD-VNHYZAJKSA-N 1 0 247.382 3.930 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(C)cc2C)c1 ZINC000021519090 386476042 /nfs/dbraw/zinc/47/60/42/386476042.db2.gz VIXJALRYLYYJMG-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000021519345 357950358 /nfs/dbraw/zinc/95/03/58/357950358.db2.gz VPEQBFOGFZDOAW-NPCAHTBFSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000021519346 357950247 /nfs/dbraw/zinc/95/02/47/357950247.db2.gz VPEQBFOGFZDOAW-BBBYJDLNSA-N 1 0 231.383 3.958 20 0 BHADRO CC1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000021519849 371440902 /nfs/dbraw/zinc/44/09/02/371440902.db2.gz RORFLPAOZUDHKT-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000021520024 170381394 /nfs/dbraw/zinc/38/13/94/170381394.db2.gz LTJNVDYXNLYBCL-HNNXBMFYSA-N 1 0 249.398 3.689 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000021520025 170382066 /nfs/dbraw/zinc/38/20/66/170382066.db2.gz LTJNVDYXNLYBCL-OAHLLOKOSA-N 1 0 249.398 3.689 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)c1cccs1 ZINC000021520045 386477367 /nfs/dbraw/zinc/47/73/67/386477367.db2.gz ZEMXFJGGAUYPBP-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)c1cccs1 ZINC000021520046 386476672 /nfs/dbraw/zinc/47/66/72/386476672.db2.gz ZEMXFJGGAUYPBP-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000021520369 643320688 /nfs/dbraw/zinc/32/06/88/643320688.db2.gz BIKQKPCVWMXGMV-GFCCVEGCSA-N 1 0 223.335 3.884 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000021520370 643173251 /nfs/dbraw/zinc/17/32/51/643173251.db2.gz BIKQKPCVWMXGMV-LBPRGKRZSA-N 1 0 223.335 3.884 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000021520703 168164131 /nfs/dbraw/zinc/16/41/31/168164131.db2.gz QWPAQKAFKOVSAG-ORHYLEIMSA-N 1 0 233.355 3.825 20 0 BHADRO CC1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000021520704 168165069 /nfs/dbraw/zinc/16/50/69/168165069.db2.gz QWPAQKAFKOVSAG-YIZWMMSDSA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021520805 386475071 /nfs/dbraw/zinc/47/50/71/386475071.db2.gz XDIIHIRPELRFHC-SHIHICALSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021520806 386476427 /nfs/dbraw/zinc/47/64/27/386476427.db2.gz XDIIHIRPELRFHC-DYQPHDICSA-N 1 0 221.388 3.591 20 0 BHADRO CCCCCOc1ccc(C[NH2+]CCC)cc1 ZINC000021521150 350492733 /nfs/dbraw/zinc/49/27/33/350492733.db2.gz BRZXXQPJZHYAOZ-UHFFFAOYSA-N 1 0 235.371 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)s1 ZINC000021788525 350593018 /nfs/dbraw/zinc/59/30/18/350593018.db2.gz UWPCETZXJOUDDC-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)s1 ZINC000021788529 350593189 /nfs/dbraw/zinc/59/31/89/350593189.db2.gz UWPCETZXJOUDDC-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)s1 ZINC000021788533 350593127 /nfs/dbraw/zinc/59/31/27/350593127.db2.gz UWPCETZXJOUDDC-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)s1 ZINC000021788537 178623714 /nfs/dbraw/zinc/62/37/14/178623714.db2.gz UWPCETZXJOUDDC-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021788874 259423853 /nfs/dbraw/zinc/42/38/53/259423853.db2.gz BRCYSZMXKZJLJC-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021788878 385701803 /nfs/dbraw/zinc/70/18/03/385701803.db2.gz BRCYSZMXKZJLJC-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000021790087 169360071 /nfs/dbraw/zinc/36/00/71/169360071.db2.gz ADAVOLZVTJERCC-OLZOCXBDSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000021790091 384695053 /nfs/dbraw/zinc/69/50/53/384695053.db2.gz ADAVOLZVTJERCC-STQMWFEESA-N 1 0 205.345 3.773 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000021790094 169360763 /nfs/dbraw/zinc/36/07/63/169360763.db2.gz ADAVOLZVTJERCC-CHWSQXEVSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000021790098 169483157 /nfs/dbraw/zinc/48/31/57/169483157.db2.gz ADAVOLZVTJERCC-QWHCGFSZSA-N 1 0 205.345 3.773 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000021792055 323100823 /nfs/dbraw/zinc/10/08/23/323100823.db2.gz XRRKHKGLQLBPBF-CYBMUJFWSA-N 1 0 219.372 3.816 20 0 BHADRO CCC(CC)C[NH2+]C[C@H](C)c1ccccc1 ZINC000021792058 168362272 /nfs/dbraw/zinc/36/22/72/168362272.db2.gz XRRKHKGLQLBPBF-ZDUSSCGKSA-N 1 0 219.372 3.816 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000021792329 343021260 /nfs/dbraw/zinc/02/12/60/343021260.db2.gz JRSWWKHTZNEXKM-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000021792333 187253813 /nfs/dbraw/zinc/25/38/13/187253813.db2.gz JRSWWKHTZNEXKM-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CCCCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000021797512 168918315 /nfs/dbraw/zinc/91/83/15/168918315.db2.gz KDHMKFSUBNCWEX-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCC1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000021797583 385706169 /nfs/dbraw/zinc/70/61/69/385706169.db2.gz OVIUTDICLKGVID-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000021801579 385704537 /nfs/dbraw/zinc/70/45/37/385704537.db2.gz DYYPTRAQKSMFFE-AWEZNQCLSA-N 1 0 249.398 4.000 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000021801582 385704436 /nfs/dbraw/zinc/70/44/36/385704436.db2.gz DYYPTRAQKSMFFE-CQSZACIVSA-N 1 0 249.398 4.000 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1 ZINC000021803102 323100893 /nfs/dbraw/zinc/10/08/93/323100893.db2.gz AXDPRHNBBALJNW-CHWSQXEVSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1 ZINC000021803107 385713120 /nfs/dbraw/zinc/71/31/20/385713120.db2.gz AXDPRHNBBALJNW-STQMWFEESA-N 1 0 217.356 3.601 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000021803692 350594584 /nfs/dbraw/zinc/59/45/84/350594584.db2.gz JUNHMCAPZNJLQP-XQQFMLRXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000021803696 350594652 /nfs/dbraw/zinc/59/46/52/350594652.db2.gz JUNHMCAPZNJLQP-AVGNSLFASA-N 1 0 235.371 3.780 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cccs1 ZINC000021806355 343021459 /nfs/dbraw/zinc/02/14/59/343021459.db2.gz PLRZLRAPFWUICG-NSHDSACASA-N 1 0 211.374 3.979 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cccs1 ZINC000021806357 343021563 /nfs/dbraw/zinc/02/15/63/343021563.db2.gz PLRZLRAPFWUICG-LLVKDONJSA-N 1 0 211.374 3.979 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000021807272 323100892 /nfs/dbraw/zinc/10/08/92/323100892.db2.gz JNQJUVTYPZZAPE-QWHCGFSZSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000021807274 323100906 /nfs/dbraw/zinc/10/09/06/323100906.db2.gz JNQJUVTYPZZAPE-STQMWFEESA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000021807277 323100885 /nfs/dbraw/zinc/10/08/85/323100885.db2.gz JNQJUVTYPZZAPE-CHWSQXEVSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000021807279 323100901 /nfs/dbraw/zinc/10/09/01/323100901.db2.gz JNQJUVTYPZZAPE-OLZOCXBDSA-N 1 0 235.371 3.780 20 0 BHADRO CCCCCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000021810772 590234634 /nfs/dbraw/zinc/23/46/34/590234634.db2.gz ULISTMLXBPYGQS-AWEZNQCLSA-N 1 0 249.398 3.883 20 0 BHADRO CCCCCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000021810774 590234692 /nfs/dbraw/zinc/23/46/92/590234692.db2.gz ULISTMLXBPYGQS-CQSZACIVSA-N 1 0 249.398 3.883 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000021810802 323100925 /nfs/dbraw/zinc/10/09/25/323100925.db2.gz NIRJHGFDRBRUPS-LBPRGKRZSA-N 1 0 217.356 3.624 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000021810804 323100882 /nfs/dbraw/zinc/10/08/82/323100882.db2.gz NIRJHGFDRBRUPS-GFCCVEGCSA-N 1 0 217.356 3.624 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)COC)cc1 ZINC000021811508 169022395 /nfs/dbraw/zinc/02/23/95/169022395.db2.gz BCEBDJOWFDFXRK-ZIAGYGMSSA-N 1 0 249.398 3.715 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+][C@H](C)COC)cc1 ZINC000021811510 169022763 /nfs/dbraw/zinc/02/27/63/169022763.db2.gz BCEBDJOWFDFXRK-KGLIPLIRSA-N 1 0 249.398 3.715 20 0 BHADRO C(C[NH2+]C1CCCCCCC1)COCC1CC1 ZINC000021811559 590234681 /nfs/dbraw/zinc/23/46/81/590234681.db2.gz FDVZMMXMDZYEKT-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC000021812071 643323313 /nfs/dbraw/zinc/32/33/13/643323313.db2.gz ZGZFWIZGEJOBBT-GFCCVEGCSA-N 1 0 223.335 3.884 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccccc1F ZINC000021812072 643323656 /nfs/dbraw/zinc/32/36/56/643323656.db2.gz ZGZFWIZGEJOBBT-LBPRGKRZSA-N 1 0 223.335 3.884 20 0 BHADRO CC1CCC([NH2+]CC2CCCCC2)CC1 ZINC000021812598 357960888 /nfs/dbraw/zinc/96/08/88/357960888.db2.gz COKSGGMDGLOJTH-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000021812703 385714852 /nfs/dbraw/zinc/71/48/52/385714852.db2.gz BSZBDCCBXWBOLR-CYBMUJFWSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000021812704 385714980 /nfs/dbraw/zinc/71/49/80/385714980.db2.gz BSZBDCCBXWBOLR-ZDUSSCGKSA-N 1 0 205.345 3.519 20 0 BHADRO CC[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021812734 385715652 /nfs/dbraw/zinc/71/56/52/385715652.db2.gz ABGOJRNIAICBIW-PNESKVBLSA-N 1 0 211.393 3.979 20 0 BHADRO CC[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021812735 385717457 /nfs/dbraw/zinc/71/74/57/385717457.db2.gz ABGOJRNIAICBIW-HIFPTAJRSA-N 1 0 211.393 3.979 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000021812785 259424187 /nfs/dbraw/zinc/42/41/87/259424187.db2.gz IIAMHBBKVWRFIS-YWPYICTPSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000021812787 259424126 /nfs/dbraw/zinc/42/41/26/259424126.db2.gz IIAMHBBKVWRFIS-SLEUVZQESA-N 1 0 217.356 3.698 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000021812920 179094115 /nfs/dbraw/zinc/09/41/15/179094115.db2.gz NNMGWWQZBKBTLX-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000021812921 371496091 /nfs/dbraw/zinc/49/60/91/371496091.db2.gz NNMGWWQZBKBTLX-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO Fc1ccc(C[NH2+]C2CCCCCC2)c(F)c1 ZINC000021813325 350597080 /nfs/dbraw/zinc/59/70/80/350597080.db2.gz OCVUCUYCQKPHFM-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000021813559 259424300 /nfs/dbraw/zinc/42/43/00/259424300.db2.gz IPFMJHCFOOUSQZ-UHFFFAOYSA-N 1 0 225.763 3.662 20 0 BHADRO CCCC1CCC([NH2+]CCCOC(C)C)CC1 ZINC000021813598 385717967 /nfs/dbraw/zinc/71/79/67/385717967.db2.gz FYBISWDTVWFERR-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[NH2+]Cc1c(F)cccc1F ZINC000021813670 643323104 /nfs/dbraw/zinc/32/31/04/643323104.db2.gz GIIJGSVKGJMJGD-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO COCCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000021813752 385716261 /nfs/dbraw/zinc/71/62/61/385716261.db2.gz HDWPEOHJMQXTKS-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO COCCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000021813753 385717936 /nfs/dbraw/zinc/71/79/36/385717936.db2.gz HDWPEOHJMQXTKS-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO c1ccc(CCC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000021813920 385717672 /nfs/dbraw/zinc/71/76/72/385717672.db2.gz LQQFDBHTWVOFOX-INIZCTEOSA-N 1 0 229.367 3.565 20 0 BHADRO c1ccc(CCC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000021813921 259424058 /nfs/dbraw/zinc/42/40/58/259424058.db2.gz LQQFDBHTWVOFOX-MRXNPFEDSA-N 1 0 229.367 3.565 20 0 BHADRO COc1ccc(NC[C@H](C)c2ccccc2)cc1 ZINC000021814103 175151506 /nfs/dbraw/zinc/15/15/06/175151506.db2.gz IWMNXDVMZGFMFL-ZDUSSCGKSA-N 1 0 241.334 3.911 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000021814219 385717971 /nfs/dbraw/zinc/71/79/71/385717971.db2.gz NXMFJMGMIAKRBY-LBPRGKRZSA-N 1 0 217.356 3.626 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000021814220 385717707 /nfs/dbraw/zinc/71/77/07/385717707.db2.gz NXMFJMGMIAKRBY-GFCCVEGCSA-N 1 0 217.356 3.626 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(F)cc1F ZINC000021815222 643324163 /nfs/dbraw/zinc/32/41/63/643324163.db2.gz CNFIXRVRXFWZOU-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000021816505 385712416 /nfs/dbraw/zinc/71/24/16/385712416.db2.gz CTWYHNCVZZHOJV-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000021816507 385713013 /nfs/dbraw/zinc/71/30/13/385713013.db2.gz CTWYHNCVZZHOJV-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000021816508 385711872 /nfs/dbraw/zinc/71/18/72/385711872.db2.gz CTWYHNCVZZHOJV-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000021816510 385713006 /nfs/dbraw/zinc/71/30/06/385713006.db2.gz CTWYHNCVZZHOJV-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000021816642 259424215 /nfs/dbraw/zinc/42/42/15/259424215.db2.gz LIPOIXPUJUBKSH-GJZGRUSLSA-N 1 0 229.367 3.736 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000021816643 385713200 /nfs/dbraw/zinc/71/32/00/385713200.db2.gz LIPOIXPUJUBKSH-CABCVRRESA-N 1 0 229.367 3.736 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000021816645 385712011 /nfs/dbraw/zinc/71/20/11/385712011.db2.gz LIPOIXPUJUBKSH-LSDHHAIUSA-N 1 0 229.367 3.736 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000021816647 259424296 /nfs/dbraw/zinc/42/42/96/259424296.db2.gz LIPOIXPUJUBKSH-HUUCEWRRSA-N 1 0 229.367 3.736 20 0 BHADRO CCC1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000021816917 385712949 /nfs/dbraw/zinc/71/29/49/385712949.db2.gz YGAXRZHVBUKUST-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000021816958 262745296 /nfs/dbraw/zinc/74/52/96/262745296.db2.gz BDEBWKIETNZUIM-GFCCVEGCSA-N 1 0 205.345 3.700 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000021816960 385712542 /nfs/dbraw/zinc/71/25/42/385712542.db2.gz BDEBWKIETNZUIM-LBPRGKRZSA-N 1 0 205.345 3.700 20 0 BHADRO CCC(CC)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021818845 168360585 /nfs/dbraw/zinc/36/05/85/168360585.db2.gz SBZCWTWGJJIAFO-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO Cc1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000021818952 385721321 /nfs/dbraw/zinc/72/13/21/385721321.db2.gz ROAIUHZWFMOHIY-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO CCc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000021819174 171803818 /nfs/dbraw/zinc/80/38/18/171803818.db2.gz LMAPUKRMIWUYFZ-UHFFFAOYSA-N 1 0 229.367 3.527 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000021954035 343029650 /nfs/dbraw/zinc/02/96/50/343029650.db2.gz STUZPVKINWCDRV-CQSZACIVSA-N 1 0 233.286 3.660 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000021954037 343029799 /nfs/dbraw/zinc/02/97/99/343029799.db2.gz STUZPVKINWCDRV-AWEZNQCLSA-N 1 0 233.286 3.660 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000021954689 357054716 /nfs/dbraw/zinc/05/47/16/357054716.db2.gz ZHUNMRPPRQRXMT-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000021954693 357054636 /nfs/dbraw/zinc/05/46/36/357054636.db2.gz ZHUNMRPPRQRXMT-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000021957311 343030333 /nfs/dbraw/zinc/03/03/33/343030333.db2.gz LOFYMBSDUYZBSM-CQSZACIVSA-N 1 0 215.296 3.521 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000021957314 343030323 /nfs/dbraw/zinc/03/03/23/343030323.db2.gz LOFYMBSDUYZBSM-AWEZNQCLSA-N 1 0 215.296 3.521 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccccc1C(F)(F)F ZINC000021957381 384708832 /nfs/dbraw/zinc/70/88/32/384708832.db2.gz ZQWWQSPIPRGIDU-MRVPVSSYSA-N 1 0 229.245 3.518 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccccc1C(F)(F)F ZINC000021957385 384710343 /nfs/dbraw/zinc/71/03/43/384710343.db2.gz ZQWWQSPIPRGIDU-QMMMGPOBSA-N 1 0 229.245 3.518 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC1 ZINC000021957599 386087765 /nfs/dbraw/zinc/08/77/65/386087765.db2.gz SKCTZJACKILWHI-UHFFFAOYSA-N 1 0 221.303 3.508 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)c(C)c1 ZINC000021957710 384709127 /nfs/dbraw/zinc/70/91/27/384709127.db2.gz VIJOZLASQJVPPY-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)c(C)c1 ZINC000021957714 384710111 /nfs/dbraw/zinc/71/01/11/384710111.db2.gz VIJOZLASQJVPPY-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO c1coc(C[NH2+]Cc2ccc3ccccc3c2)c1 ZINC000021967864 357054711 /nfs/dbraw/zinc/05/47/11/357054711.db2.gz GLXJWPSNNRHPCP-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1ccc(OC)cc1 ZINC000022142622 343042196 /nfs/dbraw/zinc/04/21/96/343042196.db2.gz VNCCIJFPBJFANN-OAHLLOKOSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1ccc(OC)cc1 ZINC000022142625 343042159 /nfs/dbraw/zinc/04/21/59/343042159.db2.gz VNCCIJFPBJFANN-HNNXBMFYSA-N 1 0 245.322 3.529 20 0 BHADRO c1coc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000022143736 343042185 /nfs/dbraw/zinc/04/21/85/343042185.db2.gz DGXMJUIMWISRKA-INIZCTEOSA-N 1 0 241.334 3.837 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000022143739 397972710 /nfs/dbraw/zinc/97/27/10/397972710.db2.gz DGXMJUIMWISRKA-MRXNPFEDSA-N 1 0 241.334 3.837 20 0 BHADRO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000022143847 385767023 /nfs/dbraw/zinc/76/70/23/385767023.db2.gz GZKFSBABLRQORY-GFCCVEGCSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)Cc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000022143849 187253888 /nfs/dbraw/zinc/25/38/88/187253888.db2.gz GZKFSBABLRQORY-LBPRGKRZSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1ccc(C)cc1 ZINC000022144347 343042280 /nfs/dbraw/zinc/04/22/80/343042280.db2.gz VCQACSKIOBXMME-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1ccc(C)cc1 ZINC000022144350 343042352 /nfs/dbraw/zinc/04/23/52/343042352.db2.gz VCQACSKIOBXMME-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000022144459 490065309 /nfs/dbraw/zinc/06/53/09/490065309.db2.gz YIVQRYANWIJXDA-LLVKDONJSA-N 1 0 217.356 3.797 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000022144461 518183113 /nfs/dbraw/zinc/18/31/13/518183113.db2.gz YIVQRYANWIJXDA-NSHDSACASA-N 1 0 217.356 3.797 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000022144909 351047437 /nfs/dbraw/zinc/04/74/37/351047437.db2.gz SNAYWNJASUJFKN-INIZCTEOSA-N 1 0 241.309 3.667 20 0 BHADRO Fc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000022144911 351047546 /nfs/dbraw/zinc/04/75/46/351047546.db2.gz SNAYWNJASUJFKN-MRXNPFEDSA-N 1 0 241.309 3.667 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000022145239 385767841 /nfs/dbraw/zinc/76/78/41/385767841.db2.gz GPRZDIJWLPHKOJ-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000022145242 351047478 /nfs/dbraw/zinc/04/74/78/351047478.db2.gz GPRZDIJWLPHKOJ-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000022145385 188008801 /nfs/dbraw/zinc/00/88/01/188008801.db2.gz CCASZQKBUJCDJE-CQSZACIVSA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000022145387 188356024 /nfs/dbraw/zinc/35/60/24/188356024.db2.gz CCASZQKBUJCDJE-AWEZNQCLSA-N 1 0 203.329 3.526 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000022148675 590342234 /nfs/dbraw/zinc/34/22/34/590342234.db2.gz APKATHLGCVDZNO-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000022148679 583320015 /nfs/dbraw/zinc/32/00/15/583320015.db2.gz APKATHLGCVDZNO-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000022149179 385769705 /nfs/dbraw/zinc/76/97/05/385769705.db2.gz LYHBIGOMTJRLNZ-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000022149182 385769450 /nfs/dbraw/zinc/76/94/50/385769450.db2.gz LYHBIGOMTJRLNZ-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000022149185 259431261 /nfs/dbraw/zinc/43/12/61/259431261.db2.gz LYHBIGOMTJRLNZ-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000022149188 259431286 /nfs/dbraw/zinc/43/12/86/259431286.db2.gz LYHBIGOMTJRLNZ-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000022149727 398202653 /nfs/dbraw/zinc/20/26/53/398202653.db2.gz WFFRSJAKRCUPRI-CYBMUJFWSA-N 1 0 235.371 3.697 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000022149731 398202259 /nfs/dbraw/zinc/20/22/59/398202259.db2.gz WFFRSJAKRCUPRI-ZDUSSCGKSA-N 1 0 235.371 3.697 20 0 BHADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC1 ZINC000022149811 351052463 /nfs/dbraw/zinc/05/24/63/351052463.db2.gz ALCDYIUHPNATRX-SNVBAGLBSA-N 1 0 229.323 3.808 20 0 BHADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC1 ZINC000022149816 351052060 /nfs/dbraw/zinc/05/20/60/351052060.db2.gz ALCDYIUHPNATRX-JTQLQIEISA-N 1 0 229.323 3.808 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000022150570 259431290 /nfs/dbraw/zinc/43/12/90/259431290.db2.gz SGARVIAZVXDUOC-CQSZACIVSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000022150574 411403157 /nfs/dbraw/zinc/40/31/57/411403157.db2.gz SGARVIAZVXDUOC-AWEZNQCLSA-N 1 0 249.398 3.715 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC000022151107 385772181 /nfs/dbraw/zinc/77/21/81/385772181.db2.gz NLDNJWJUVUWJGL-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC000022151114 385772115 /nfs/dbraw/zinc/77/21/15/385772115.db2.gz NLDNJWJUVUWJGL-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(C)C)c(C)c1 ZINC000022153246 262752899 /nfs/dbraw/zinc/75/28/99/262752899.db2.gz UIXYURDLBBDGFU-UHFFFAOYSA-N 1 0 219.372 3.748 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000022153556 385921556 /nfs/dbraw/zinc/92/15/56/385921556.db2.gz AXEAGZVNXWPPFD-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000022153564 385894935 /nfs/dbraw/zinc/89/49/35/385894935.db2.gz AXEAGZVNXWPPFD-HZSPNIEDSA-N 1 0 207.361 3.511 20 0 BHADRO Fc1cccc(F)c1C[NH2+]C1CCCCCC1 ZINC000022153699 181000768 /nfs/dbraw/zinc/00/07/68/181000768.db2.gz AKOZNCSUTYSLSU-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000022153802 385937973 /nfs/dbraw/zinc/93/79/73/385937973.db2.gz SWFAVLUGUHDSIW-KGLIPLIRSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000022153806 385938518 /nfs/dbraw/zinc/93/85/18/385938518.db2.gz SWFAVLUGUHDSIW-KBPBESRZSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000022153809 385938045 /nfs/dbraw/zinc/93/80/45/385938045.db2.gz SWFAVLUGUHDSIW-ZIAGYGMSSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000022153813 385938961 /nfs/dbraw/zinc/93/89/61/385938961.db2.gz SWFAVLUGUHDSIW-UONOGXRCSA-N 1 0 209.377 3.757 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000022175773 384742864 /nfs/dbraw/zinc/74/28/64/384742864.db2.gz PGVHOYTWAHRAIW-CYBMUJFWSA-N 1 0 245.347 3.606 20 0 BHADRO c1coc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000022175775 188109470 /nfs/dbraw/zinc/10/94/70/188109470.db2.gz PGVHOYTWAHRAIW-ZDUSSCGKSA-N 1 0 245.347 3.606 20 0 BHADRO Cc1ccccc1COc1ccc([C@@H](C)[NH3+])cc1 ZINC000022175902 179285608 /nfs/dbraw/zinc/28/56/08/179285608.db2.gz IHMDEUOTFBUJEQ-CYBMUJFWSA-N 1 0 241.334 3.594 20 0 BHADRO Cc1ccccc1COc1ccc([C@H](C)[NH3+])cc1 ZINC000022175905 179286330 /nfs/dbraw/zinc/28/63/30/179286330.db2.gz IHMDEUOTFBUJEQ-ZDUSSCGKSA-N 1 0 241.334 3.594 20 0 BHADRO Cc1ccc(COc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000022210068 343044411 /nfs/dbraw/zinc/04/44/11/343044411.db2.gz AYLCSXLRXZKEGY-CYBMUJFWSA-N 1 0 241.334 3.594 20 0 BHADRO Cc1ccc(COc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000022210071 188109553 /nfs/dbraw/zinc/10/95/53/188109553.db2.gz AYLCSXLRXZKEGY-ZDUSSCGKSA-N 1 0 241.334 3.594 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000022213682 175902307 /nfs/dbraw/zinc/90/23/07/175902307.db2.gz DLHIYRWSVMAJRM-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000022213685 387272067 /nfs/dbraw/zinc/27/20/67/387272067.db2.gz DLHIYRWSVMAJRM-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)c1cccc(Cl)c1 ZINC000022223631 357063774 /nfs/dbraw/zinc/06/37/74/357063774.db2.gz SUKDTWHDCWEJQV-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)c1cccc(Cl)c1 ZINC000022223633 387270991 /nfs/dbraw/zinc/27/09/91/387270991.db2.gz SUKDTWHDCWEJQV-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000026513160 173946162 /nfs/dbraw/zinc/94/61/62/173946162.db2.gz OIFPXYZDUXEWHP-GFCCVEGCSA-N 1 0 227.392 3.502 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000026513162 636157538 /nfs/dbraw/zinc/15/75/38/636157538.db2.gz OIFPXYZDUXEWHP-LBPRGKRZSA-N 1 0 227.392 3.502 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000026513862 168391467 /nfs/dbraw/zinc/39/14/67/168391467.db2.gz MLYJILUFZNTCAC-JTQLQIEISA-N 1 0 209.333 3.736 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(C)oc1C ZINC000026513863 168392744 /nfs/dbraw/zinc/39/27/44/168392744.db2.gz MLYJILUFZNTCAC-SNVBAGLBSA-N 1 0 209.333 3.736 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CC2)c2ccccc21 ZINC000026514353 358438964 /nfs/dbraw/zinc/43/89/64/358438964.db2.gz AYKZAUCSUIILTA-CQSZACIVSA-N 1 0 215.340 3.551 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CC2)c2ccccc21 ZINC000026514355 358439068 /nfs/dbraw/zinc/43/90/68/358439068.db2.gz AYKZAUCSUIILTA-AWEZNQCLSA-N 1 0 215.340 3.551 20 0 BHADRO CCC[NH+](CCC)CCCOc1ccccc1 ZINC000027901919 541499211 /nfs/dbraw/zinc/49/92/11/541499211.db2.gz YGKCXQHWWKKNPM-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CC[NH+](CC)Cc1c(OC)ccc2ccccc21 ZINC000027910412 348614278 /nfs/dbraw/zinc/61/42/78/348614278.db2.gz HFZRFVQEBDYNLO-UHFFFAOYSA-N 1 0 243.350 3.690 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000028221840 541499826 /nfs/dbraw/zinc/49/98/26/541499826.db2.gz OECAWKWYHKAEMO-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(Cl)cc1 ZINC000028221848 368241486 /nfs/dbraw/zinc/24/14/86/368241486.db2.gz SXFJNWIKALPIFH-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCCC[N@H+](CC)Cc1ccccc1Cl ZINC000028221857 368241565 /nfs/dbraw/zinc/24/15/65/368241565.db2.gz WQIBAWWCXPYMJR-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCC[NH+](CCC)Cc1ccccc1Cl ZINC000028221865 541499599 /nfs/dbraw/zinc/49/95/99/541499599.db2.gz UJDIJYRZURXOKC-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000028245506 387531213 /nfs/dbraw/zinc/53/12/13/387531213.db2.gz CSCFEDOGGKUFCG-CQSZACIVSA-N 1 0 237.346 3.633 20 0 BHADRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000028245512 177389486 /nfs/dbraw/zinc/38/94/86/177389486.db2.gz CSCFEDOGGKUFCG-AWEZNQCLSA-N 1 0 237.346 3.633 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000029130345 176109000 /nfs/dbraw/zinc/10/90/00/176109000.db2.gz PSTMOSWQMHZABO-CQSZACIVSA-N 1 0 239.362 3.867 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000029130464 177109111 /nfs/dbraw/zinc/10/91/11/177109111.db2.gz PSTMOSWQMHZABO-AWEZNQCLSA-N 1 0 239.362 3.867 20 0 BHADRO CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029234240 170040927 /nfs/dbraw/zinc/04/09/27/170040927.db2.gz QKUVNSGJPHVOHY-KRWDZBQOSA-N 1 0 237.346 3.654 20 0 BHADRO CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029234246 170040868 /nfs/dbraw/zinc/04/08/68/170040868.db2.gz QKUVNSGJPHVOHY-QGZVFWFLSA-N 1 0 237.346 3.654 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccco1 ZINC000031704424 639220698 /nfs/dbraw/zinc/22/06/98/639220698.db2.gz ZJIFKOUJJWZUTD-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccco1 ZINC000031704428 639221411 /nfs/dbraw/zinc/22/14/11/639221411.db2.gz ZJIFKOUJJWZUTD-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccccc1C ZINC000032015079 179283081 /nfs/dbraw/zinc/28/30/81/179283081.db2.gz MVICRLYVKHTJPW-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO CC(C)CC[NH2+]CCc1cccc(Cl)c1 ZINC000032015135 387517585 /nfs/dbraw/zinc/51/75/85/387517585.db2.gz PPPFOHOJJBGMIO-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000032102334 179283306 /nfs/dbraw/zinc/28/33/06/179283306.db2.gz XPGKVOVPJUKTAL-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO Clc1cccc(CC[NH2+]Cc2ccccc2)c1 ZINC000032102336 359638345 /nfs/dbraw/zinc/63/83/45/359638345.db2.gz VQUJJMSXIGVRIL-UHFFFAOYSA-N 1 0 245.753 3.672 20 0 BHADRO CC(C)COc1ccccc1C[NH2+]C1CCCC1 ZINC000032103221 398167889 /nfs/dbraw/zinc/16/78/89/398167889.db2.gz KIBFLPGMAVXPBS-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+]C2CCCC2)c1 ZINC000032103229 640599454 /nfs/dbraw/zinc/59/94/54/640599454.db2.gz OTXKEHZOYCMSKH-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CC(C)COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000032103231 643413416 /nfs/dbraw/zinc/41/34/16/643413416.db2.gz WVOFHRXMZKHBQG-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000032103236 167010778 /nfs/dbraw/zinc/01/07/78/167010778.db2.gz BHYRIBYIVNPQEV-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000032103249 398167954 /nfs/dbraw/zinc/16/79/54/398167954.db2.gz QJQOKZGNXIFFSR-CYBMUJFWSA-N 1 0 247.382 3.896 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000032103250 262830681 /nfs/dbraw/zinc/83/06/81/262830681.db2.gz QJQOKZGNXIFFSR-ZDUSSCGKSA-N 1 0 247.382 3.896 20 0 BHADRO CC(C)CC[NH2+]Cc1ccccc1OCC(C)C ZINC000032104892 398167801 /nfs/dbraw/zinc/16/78/01/398167801.db2.gz ZVZZMLWGDCCIBE-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000032104910 398167959 /nfs/dbraw/zinc/16/79/59/398167959.db2.gz ZVDFMAGZUAASHY-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO Cc1ccc(C[NH+](C)Cc2ccc(C)cc2)cc1 ZINC000032131975 353154479 /nfs/dbraw/zinc/15/44/79/353154479.db2.gz IRGIOTYYLJUOMQ-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192765 538950118 /nfs/dbraw/zinc/95/01/18/538950118.db2.gz OZALJKGFQHTUGN-GFCCVEGCSA-N 1 0 242.366 3.633 20 0 BHADRO CC[C@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192766 538950083 /nfs/dbraw/zinc/95/00/83/538950083.db2.gz OZALJKGFQHTUGN-LBPRGKRZSA-N 1 0 242.366 3.633 20 0 BHADRO CCCC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192860 350192546 /nfs/dbraw/zinc/19/25/46/350192546.db2.gz ZGEHJUDRCBHGTK-UHFFFAOYSA-N 1 0 242.366 3.635 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000032237483 368256855 /nfs/dbraw/zinc/25/68/55/368256855.db2.gz XXYVFBUUZBUTDL-LLVKDONJSA-N 1 0 223.747 3.887 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000032237484 368256314 /nfs/dbraw/zinc/25/63/14/368256314.db2.gz XXYVFBUUZBUTDL-NSHDSACASA-N 1 0 223.747 3.887 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C1CCSCC1 ZINC000032587092 350201251 /nfs/dbraw/zinc/20/12/51/350201251.db2.gz HZEVRZPFLDFHBW-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO Cc1ccc(C[NH+](C(C)C)C(C)C)cc1 ZINC000033364595 355366350 /nfs/dbraw/zinc/36/63/50/355366350.db2.gz QIIODSXKXLLTCT-UHFFFAOYSA-N 1 0 205.345 3.614 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)C1CCCCC1 ZINC000033404725 344477731 /nfs/dbraw/zinc/47/77/31/344477731.db2.gz JHSPLRHTXFMMHZ-FLIBITNWSA-N 1 0 229.367 3.964 20 0 BHADRO CCCCCCOc1cccc(C[NH2+]CC)c1 ZINC000033434376 168673239 /nfs/dbraw/zinc/67/32/39/168673239.db2.gz QUSLPPBIJMLPIL-UHFFFAOYSA-N 1 0 235.371 3.755 20 0 BHADRO CC(C)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000033465021 167119379 /nfs/dbraw/zinc/11/93/79/167119379.db2.gz ITUXPLYOXMAQHR-UHFFFAOYSA-N 1 0 233.355 3.506 20 0 BHADRO CCC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000033465022 169268197 /nfs/dbraw/zinc/26/81/97/169268197.db2.gz XGTWJGMMMDBXPT-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCCC[NH2+]Cc1cccc(OCCCC)c1 ZINC000033465621 642165073 /nfs/dbraw/zinc/16/50/73/642165073.db2.gz BAYHFQUJDTZWLE-UHFFFAOYSA-N 1 0 235.371 3.755 20 0 BHADRO CCCCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000033465622 355370353 /nfs/dbraw/zinc/37/03/53/355370353.db2.gz PQHQLCAAWUDQCR-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCCC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000033465623 643137709 /nfs/dbraw/zinc/13/77/09/643137709.db2.gz JRJZSPQBWDZQFK-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000033465632 355354664 /nfs/dbraw/zinc/35/46/64/355354664.db2.gz CRKNEDXNJUXLPA-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000033465633 168920108 /nfs/dbraw/zinc/92/01/08/168920108.db2.gz CRKNEDXNJUXLPA-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000033465635 355370248 /nfs/dbraw/zinc/37/02/48/355370248.db2.gz SZMJQNZHGPUNEA-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000033465636 171343342 /nfs/dbraw/zinc/34/33/42/171343342.db2.gz SZMJQNZHGPUNEA-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccccc2C)cc1 ZINC000033468775 386838535 /nfs/dbraw/zinc/83/85/35/386838535.db2.gz MWBDHDJXTZTYNE-UHFFFAOYSA-N 1 0 239.362 3.847 20 0 BHADRO [NH3+]C1(c2nc(-c3ccccc3)cs2)CCCC1 ZINC000033487360 181335449 /nfs/dbraw/zinc/33/54/49/181335449.db2.gz IQAPWJNFSIUBRV-UHFFFAOYSA-N 1 0 244.363 3.538 20 0 BHADRO CCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000033641109 354651161 /nfs/dbraw/zinc/65/11/61/354651161.db2.gz HPZRGANZYNUAFY-UHFFFAOYSA-N 1 0 233.311 3.675 20 0 BHADRO CCCCCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000033645756 642281932 /nfs/dbraw/zinc/28/19/32/642281932.db2.gz RYYURZSIWOPZFB-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000033645757 642283021 /nfs/dbraw/zinc/28/30/21/642283021.db2.gz RYYURZSIWOPZFB-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000033647502 642283137 /nfs/dbraw/zinc/28/31/37/642283137.db2.gz RYTMBJGHZAWZPM-DZKIICNBSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000033647505 642282774 /nfs/dbraw/zinc/28/27/74/642282774.db2.gz RYTMBJGHZAWZPM-LZWOXQAQSA-N 1 0 249.398 3.667 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1 ZINC000033665670 355576607 /nfs/dbraw/zinc/57/66/07/355576607.db2.gz ZLEKSEOXUBSGPJ-NTCAYCPXSA-N 1 0 237.346 3.880 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1 ZINC000033665672 323188181 /nfs/dbraw/zinc/18/81/81/323188181.db2.gz ZLEKSEOXUBSGPJ-QINSGFPZSA-N 1 0 237.346 3.880 20 0 BHADRO CC(C)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033755400 368263155 /nfs/dbraw/zinc/26/31/55/368263155.db2.gz NFNFGNLAOQRPPO-JTQLQIEISA-N 1 0 245.288 3.634 20 0 BHADRO CC(C)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033755401 368263061 /nfs/dbraw/zinc/26/30/61/368263061.db2.gz NFNFGNLAOQRPPO-SNVBAGLBSA-N 1 0 245.288 3.634 20 0 BHADRO CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033756058 169274378 /nfs/dbraw/zinc/27/43/78/169274378.db2.gz WUNHMQPCNHSOOI-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033756059 169285940 /nfs/dbraw/zinc/28/59/40/169285940.db2.gz WUNHMQPCNHSOOI-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCc2sccc2C1 ZINC000033756565 360449809 /nfs/dbraw/zinc/44/98/09/360449809.db2.gz MQZTYXPSOUASNZ-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO Cc1ccccc1OCC[N@@H+](C)C1CCCCC1 ZINC000033809253 642371541 /nfs/dbraw/zinc/37/15/41/642371541.db2.gz QVFSZNVOXAXYRU-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO Cc1ccc(OCC[N@@H+](C)C2CCCCC2)cc1 ZINC000033809254 642371920 /nfs/dbraw/zinc/37/19/20/642371920.db2.gz JRFRDMMRXIQVAY-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO Cc1cccc(OCC[N@@H+](C)C2CCCCC2)c1 ZINC000033809255 344951078 /nfs/dbraw/zinc/95/10/78/344951078.db2.gz IBCDYZMMUXSXKA-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)[NH+](CCCOc1ccccc1)C(C)C ZINC000033809290 541503555 /nfs/dbraw/zinc/50/35/55/541503555.db2.gz OWSUUEXYJQMSNC-UHFFFAOYSA-N 1 0 235.371 3.574 20 0 BHADRO C[N@H+](CCCOc1ccccc1)C1CCCCC1 ZINC000033809376 386980920 /nfs/dbraw/zinc/98/09/20/386980920.db2.gz AFNXXRRAXKJLKO-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO C[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000033867366 176023968 /nfs/dbraw/zinc/02/39/68/176023968.db2.gz PEXVOEOVJRGWTD-NSHDSACASA-N 1 0 223.747 3.887 20 0 BHADRO C[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000033867367 177041802 /nfs/dbraw/zinc/04/18/02/177041802.db2.gz PEXVOEOVJRGWTD-LLVKDONJSA-N 1 0 223.747 3.887 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000033867382 355760486 /nfs/dbraw/zinc/76/04/86/355760486.db2.gz QPECGRDTKGPJPQ-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000033867383 368263384 /nfs/dbraw/zinc/26/33/84/368263384.db2.gz QPECGRDTKGPJPQ-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000033868180 345154878 /nfs/dbraw/zinc/15/48/78/345154878.db2.gz GDOPBLHRABTNJI-ZDUSSCGKSA-N 1 0 223.747 3.887 20 0 BHADRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000033868181 345154428 /nfs/dbraw/zinc/15/44/28/345154428.db2.gz GDOPBLHRABTNJI-CYBMUJFWSA-N 1 0 223.747 3.887 20 0 BHADRO CC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000033877390 170146160 /nfs/dbraw/zinc/14/61/60/170146160.db2.gz GZBKFBQCFMMDBI-ZDUSSCGKSA-N 1 0 231.364 3.641 20 0 BHADRO CC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000033877391 170162438 /nfs/dbraw/zinc/16/24/38/170162438.db2.gz GZBKFBQCFMMDBI-CYBMUJFWSA-N 1 0 231.364 3.641 20 0 BHADRO c1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000034006445 355779276 /nfs/dbraw/zinc/77/92/76/355779276.db2.gz SSTRJBMRSNBIGU-UHFFFAOYSA-N 1 0 247.382 3.722 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2C=CCCC2)cc1 ZINC000034070217 387015684 /nfs/dbraw/zinc/01/56/84/387015684.db2.gz DYQXLNFFXFNAOA-ZDUSSCGKSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2C=CCCC2)cc1 ZINC000034070218 387015562 /nfs/dbraw/zinc/01/55/62/387015562.db2.gz DYQXLNFFXFNAOA-CYBMUJFWSA-N 1 0 221.731 3.538 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000034076616 368263337 /nfs/dbraw/zinc/26/33/37/368263337.db2.gz ZJVAARUBQPEBDS-CQSZACIVSA-N 1 0 203.329 3.624 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000034076617 355783849 /nfs/dbraw/zinc/78/38/49/355783849.db2.gz ZJVAARUBQPEBDS-AWEZNQCLSA-N 1 0 203.329 3.624 20 0 BHADRO C#CC[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000034146896 646279768 /nfs/dbraw/zinc/27/97/68/646279768.db2.gz RWSFYUMKXGKZDN-KRWDZBQOSA-N 1 0 235.330 3.541 20 0 BHADRO C#CC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000034146897 646259332 /nfs/dbraw/zinc/25/93/32/646259332.db2.gz RWSFYUMKXGKZDN-QGZVFWFLSA-N 1 0 235.330 3.541 20 0 BHADRO O=C(CCC[NH+]1CCCCCC1)c1ccccc1 ZINC000034154962 355308818 /nfs/dbraw/zinc/30/88/18/355308818.db2.gz IVMMIMDDVKHCTE-UHFFFAOYSA-N 1 0 245.366 3.526 20 0 BHADRO CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1 ZINC000034182068 355804313 /nfs/dbraw/zinc/80/43/13/355804313.db2.gz VMWZBMQEXNNCAS-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO CCCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000034182236 346217281 /nfs/dbraw/zinc/21/72/81/346217281.db2.gz KLJLWOGJERHXMD-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CCC[NH+](CCC)[C@@H](C)c1ccccc1 ZINC000034406493 357912720 /nfs/dbraw/zinc/91/27/20/357912720.db2.gz LGDXMZCOUBXHFE-ZDUSSCGKSA-N 1 0 205.345 3.870 20 0 BHADRO CCC[NH+](CCC)[C@H](C)c1ccccc1 ZINC000034406494 368263747 /nfs/dbraw/zinc/26/37/47/368263747.db2.gz LGDXMZCOUBXHFE-CYBMUJFWSA-N 1 0 205.345 3.870 20 0 BHADRO CC(C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000034406554 167099833 /nfs/dbraw/zinc/09/98/33/167099833.db2.gz JUNZDHUVFTUYIP-UHFFFAOYSA-N 1 0 239.362 3.817 20 0 BHADRO C[C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000034409054 368264122 /nfs/dbraw/zinc/26/41/22/368264122.db2.gz QHTPVLXBWRCWQI-AWEZNQCLSA-N 1 0 217.356 3.666 20 0 BHADRO C[C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000034409055 368263824 /nfs/dbraw/zinc/26/38/24/368263824.db2.gz QHTPVLXBWRCWQI-CQSZACIVSA-N 1 0 217.356 3.666 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000034411112 350265300 /nfs/dbraw/zinc/26/53/00/350265300.db2.gz WKZKTYMPZABIEF-AWEZNQCLSA-N 1 0 225.335 3.880 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000034411113 350264824 /nfs/dbraw/zinc/26/48/24/350264824.db2.gz WKZKTYMPZABIEF-CQSZACIVSA-N 1 0 225.335 3.880 20 0 BHADRO c1ccc(C[NH2+]CCSc2ccccc2)cc1 ZINC000034434718 323197068 /nfs/dbraw/zinc/19/70/68/323197068.db2.gz CLTRYIIDCPTAJN-UHFFFAOYSA-N 1 0 243.375 3.569 20 0 BHADRO CC[NH+](CC)CCCCCOc1ccccc1 ZINC000034457867 343271672 /nfs/dbraw/zinc/27/16/72/343271672.db2.gz HUFOOEMQPIXKAN-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CC(C)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000034483711 167118196 /nfs/dbraw/zinc/11/81/96/167118196.db2.gz FMIGXPZNOMNNTG-UHFFFAOYSA-N 1 0 241.334 3.977 20 0 BHADRO Clc1ccccc1CC[NH2+]Cc1ccccc1 ZINC000034519860 398304009 /nfs/dbraw/zinc/30/40/09/398304009.db2.gz WSTOBODDJQUMLF-UHFFFAOYSA-N 1 0 245.753 3.672 20 0 BHADRO CCCCCN1CCc2c3ccccc3[nH]c2C1 ZINC000034522311 357918955 /nfs/dbraw/zinc/91/89/55/357918955.db2.gz OMZMLWXQELNEIX-UHFFFAOYSA-N 1 0 242.366 3.716 20 0 BHADRO CCCC[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000034522669 355844296 /nfs/dbraw/zinc/84/42/96/355844296.db2.gz YMOUJDBKIAHMHC-UHFFFAOYSA-N 1 0 247.382 3.675 20 0 BHADRO C[N@H+](CCCc1ccccc1)Cc1ccccc1 ZINC000034539983 566372687 /nfs/dbraw/zinc/37/26/87/566372687.db2.gz GPLZNRKHPRFRAR-UHFFFAOYSA-N 1 0 239.362 3.751 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CCCCCC1 ZINC000034542024 188012587 /nfs/dbraw/zinc/01/25/87/188012587.db2.gz ACLWQZLLZUBDMJ-DHZHZOJOSA-N 1 0 215.340 3.576 20 0 BHADRO c1ccc(CCCC[NH2+]C2CCCCC2)cc1 ZINC000034574239 538954484 /nfs/dbraw/zinc/95/44/84/538954484.db2.gz ZKRPDBGEGLGEEW-UHFFFAOYSA-N 1 0 231.383 3.932 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CCCCC1 ZINC000034590800 355848494 /nfs/dbraw/zinc/84/84/94/355848494.db2.gz UDGOHMIEWKGMBR-WYMLVPIESA-N 1 0 215.340 3.576 20 0 BHADRO CC(C)C[NH+](CC(C)C)C1CCCCC1 ZINC000034593210 355848174 /nfs/dbraw/zinc/84/81/74/355848174.db2.gz IYWULWQDIVKQSN-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@@H](CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000034597257 384394213 /nfs/dbraw/zinc/39/42/13/384394213.db2.gz IZVILRAKUOSTNI-LBPRGKRZSA-N 1 0 205.345 3.568 20 0 BHADRO C[C@H](CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000034597258 384393019 /nfs/dbraw/zinc/39/30/19/384393019.db2.gz IZVILRAKUOSTNI-GFCCVEGCSA-N 1 0 205.345 3.568 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000034622670 176021020 /nfs/dbraw/zinc/02/10/20/176021020.db2.gz CBCBPWORXQZVFH-ZDUSSCGKSA-N 1 0 203.329 3.624 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000034622672 177038384 /nfs/dbraw/zinc/03/83/84/177038384.db2.gz CBCBPWORXQZVFH-CYBMUJFWSA-N 1 0 203.329 3.624 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC000034624338 348715501 /nfs/dbraw/zinc/71/55/01/348715501.db2.gz NFHDLJMHTUYMPW-NWDGAFQWSA-N 1 0 205.345 3.772 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000034624340 357920787 /nfs/dbraw/zinc/92/07/87/357920787.db2.gz NFHDLJMHTUYMPW-VXGBXAGGSA-N 1 0 205.345 3.772 20 0 BHADRO CCCCCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000034652033 639573366 /nfs/dbraw/zinc/57/33/66/639573366.db2.gz JEQLJFLWNJPURF-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CC[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000034652244 170127136 /nfs/dbraw/zinc/12/71/36/170127136.db2.gz RBDSETYYWZOTKO-UHFFFAOYSA-N 1 0 240.350 3.564 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034652254 384394493 /nfs/dbraw/zinc/39/44/93/384394493.db2.gz QTUQGCGMYMOCDT-UHFFFAOYSA-N 1 0 217.337 3.525 20 0 BHADRO CCC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034652275 323201637 /nfs/dbraw/zinc/20/16/37/323201637.db2.gz IZEVRMNYWKIHMP-UHFFFAOYSA-N 1 0 231.364 3.915 20 0 BHADRO CC(C)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000034652447 167121744 /nfs/dbraw/zinc/12/17/44/167121744.db2.gz YMARVCUJMDYNEP-UHFFFAOYSA-N 1 0 241.334 3.977 20 0 BHADRO Fc1ccc(-c2ccc(C[NH2+]C3CC3)s2)cc1 ZINC000034652660 180957236 /nfs/dbraw/zinc/95/72/36/180957236.db2.gz GXHQMQIHBUDPIK-UHFFFAOYSA-N 1 0 247.338 3.806 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000034652672 323201638 /nfs/dbraw/zinc/20/16/38/323201638.db2.gz WAGIGUMRFXQKIX-UHFFFAOYSA-N 1 0 235.327 3.664 20 0 BHADRO C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000034652789 322822966 /nfs/dbraw/zinc/82/29/66/322822966.db2.gz YBRXNPRKWHLDEQ-UHFFFAOYSA-N 1 0 237.755 3.788 20 0 BHADRO Fc1ccccc1-c1ccc(C[NH2+]C2CC2)s1 ZINC000034652955 181009681 /nfs/dbraw/zinc/00/96/81/181009681.db2.gz SCPVVHBSOOPLQX-UHFFFAOYSA-N 1 0 247.338 3.806 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000034652962 323201710 /nfs/dbraw/zinc/20/17/10/323201710.db2.gz PTKNLPSUWHNNSO-UHFFFAOYSA-N 1 0 235.327 3.664 20 0 BHADRO CC(C)[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000034658028 323201511 /nfs/dbraw/zinc/20/15/11/323201511.db2.gz OPGPEYXHXNPYAM-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO CC(C)CCOc1ccccc1C[NH2+]C(C)C ZINC000034658863 386469855 /nfs/dbraw/zinc/46/98/55/386469855.db2.gz QNFKBAAMRKGQPZ-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]C3CC3)s2)cc1 ZINC000034670528 178324208 /nfs/dbraw/zinc/32/42/08/178324208.db2.gz CWMKRXRWFJJLFL-UHFFFAOYSA-N 1 0 243.375 3.976 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000034670534 323201955 /nfs/dbraw/zinc/20/19/55/323201955.db2.gz AMDYMLAXMZQNQU-UHFFFAOYSA-N 1 0 231.364 3.833 20 0 BHADRO Fc1cccc(-c2ccc(C[NH2+]C3CC3)s2)c1 ZINC000034670638 180992982 /nfs/dbraw/zinc/99/29/82/180992982.db2.gz OURGNSNPYQFRTB-UHFFFAOYSA-N 1 0 247.338 3.806 20 0 BHADRO CC[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000034670643 323201935 /nfs/dbraw/zinc/20/19/35/323201935.db2.gz IFMNWLJJJZRVEZ-UHFFFAOYSA-N 1 0 235.327 3.664 20 0 BHADRO CC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000034816304 368265882 /nfs/dbraw/zinc/26/58/82/368265882.db2.gz KNBBMSQTXZLGRF-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CCCCCCOc1cccc(C[NH2+]C2CC2)c1 ZINC000034816638 645704601 /nfs/dbraw/zinc/70/46/01/645704601.db2.gz ZRJKVDFILSGBKQ-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000034818586 169277820 /nfs/dbraw/zinc/27/78/20/169277820.db2.gz ZPWBUIDIXRRLIW-ZDUSSCGKSA-N 1 0 221.344 3.536 20 0 BHADRO CCC[NH2+][C@H](CC)c1ccccc1OCC ZINC000034818588 169289076 /nfs/dbraw/zinc/28/90/76/169289076.db2.gz ZPWBUIDIXRRLIW-CYBMUJFWSA-N 1 0 221.344 3.536 20 0 BHADRO CCC[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000034818726 169277831 /nfs/dbraw/zinc/27/78/31/169277831.db2.gz ULPOLGRQOPSDML-NSHDSACASA-N 1 0 243.297 3.739 20 0 BHADRO CCC[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000034818728 169288985 /nfs/dbraw/zinc/28/89/85/169288985.db2.gz ULPOLGRQOPSDML-LLVKDONJSA-N 1 0 243.297 3.739 20 0 BHADRO CCCCCOc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000034819194 355866839 /nfs/dbraw/zinc/86/68/39/355866839.db2.gz YKRLLKQIODYFNW-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCCOc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000034819196 355866879 /nfs/dbraw/zinc/86/68/79/355866879.db2.gz YKRLLKQIODYFNW-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000034819207 262782839 /nfs/dbraw/zinc/78/28/39/262782839.db2.gz GFFYJXFDKMMVNE-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000034819209 386528172 /nfs/dbraw/zinc/52/81/72/386528172.db2.gz GFFYJXFDKMMVNE-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000034822915 169277949 /nfs/dbraw/zinc/27/79/49/169277949.db2.gz WKSOLYFAUCVNBL-LBPRGKRZSA-N 1 0 243.297 3.739 20 0 BHADRO CCC[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000034822916 169288271 /nfs/dbraw/zinc/28/82/71/169288271.db2.gz WKSOLYFAUCVNBL-GFCCVEGCSA-N 1 0 243.297 3.739 20 0 BHADRO CC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000034834109 170127682 /nfs/dbraw/zinc/12/76/82/170127682.db2.gz VJMYXZCLHGIUJK-UHFFFAOYSA-N 1 0 245.297 3.728 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000034844812 169276277 /nfs/dbraw/zinc/27/62/77/169276277.db2.gz QGPKNYVUCMAHKA-LBPRGKRZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000034844814 169287281 /nfs/dbraw/zinc/28/72/81/169287281.db2.gz QGPKNYVUCMAHKA-GFCCVEGCSA-N 1 0 235.371 3.925 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000034844816 386537479 /nfs/dbraw/zinc/53/74/79/386537479.db2.gz LZALVWSXSNCERO-NSHDSACASA-N 1 0 221.344 3.534 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000034844818 262783015 /nfs/dbraw/zinc/78/30/15/262783015.db2.gz LZALVWSXSNCERO-LLVKDONJSA-N 1 0 221.344 3.534 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000034845355 170141737 /nfs/dbraw/zinc/14/17/37/170141737.db2.gz YDZAYMPNFPIRDC-LBPRGKRZSA-N 1 0 242.322 3.544 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000034845357 170159246 /nfs/dbraw/zinc/15/92/46/170159246.db2.gz YDZAYMPNFPIRDC-GFCCVEGCSA-N 1 0 242.322 3.544 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccccc1SCC ZINC000034845727 262782975 /nfs/dbraw/zinc/78/29/75/262782975.db2.gz LKWOXBPRXDMSJA-NSHDSACASA-N 1 0 223.385 3.859 20 0 BHADRO CCC[NH2+][C@H](C)c1ccccc1SCC ZINC000034845729 262783344 /nfs/dbraw/zinc/78/33/44/262783344.db2.gz LKWOXBPRXDMSJA-LLVKDONJSA-N 1 0 223.385 3.859 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000034845743 169277416 /nfs/dbraw/zinc/27/74/16/169277416.db2.gz ALZAWBUPHFMPKY-NSHDSACASA-N 1 0 223.385 3.859 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000034845746 169286954 /nfs/dbraw/zinc/28/69/54/169286954.db2.gz ALZAWBUPHFMPKY-LLVKDONJSA-N 1 0 223.385 3.859 20 0 BHADRO c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000034893485 323206033 /nfs/dbraw/zinc/20/60/33/323206033.db2.gz SALPHQZNPUYVCF-DLBZAZTESA-N 1 0 237.346 3.580 20 0 BHADRO c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000034893486 386557793 /nfs/dbraw/zinc/55/77/93/386557793.db2.gz SALPHQZNPUYVCF-IAGOWNOFSA-N 1 0 237.346 3.580 20 0 BHADRO c1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000034893488 357925828 /nfs/dbraw/zinc/92/58/28/357925828.db2.gz SALPHQZNPUYVCF-SJORKVTESA-N 1 0 237.346 3.580 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccs2)c(C)o1 ZINC000034956892 178229131 /nfs/dbraw/zinc/22/91/31/178229131.db2.gz VQSUPDQZQUYZSS-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccs2)c(C)o1 ZINC000034956893 178252208 /nfs/dbraw/zinc/25/22/08/178252208.db2.gz VQSUPDQZQUYZSS-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000034979054 167482674 /nfs/dbraw/zinc/48/26/74/167482674.db2.gz ZVLVOCTWUAYKLC-BPLDGKMQSA-N 1 0 235.371 3.830 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000034979058 387006242 /nfs/dbraw/zinc/00/62/42/387006242.db2.gz ZVLVOCTWUAYKLC-VHDGCEQUSA-N 1 0 235.371 3.830 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2)cc1C ZINC000034990810 645855574 /nfs/dbraw/zinc/85/55/74/645855574.db2.gz NCJHBRGTRRHSOQ-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO Cc1cc(C)c(C[NH2+]Cc2ccccc2)cc1C ZINC000034990820 387004297 /nfs/dbraw/zinc/00/42/97/387004297.db2.gz SRGIRHIFKVAVRC-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCCC2)cc1C ZINC000034990824 178602307 /nfs/dbraw/zinc/60/23/07/178602307.db2.gz QKDDWOILHZWRHR-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccccc2)cc1C ZINC000034990839 356656243 /nfs/dbraw/zinc/65/62/43/356656243.db2.gz XXTJZYJWHSDDJG-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(C)C)cc1C ZINC000034991032 262807723 /nfs/dbraw/zinc/80/77/23/262807723.db2.gz SKTDHXSGEGXFFX-UHFFFAOYSA-N 1 0 219.372 3.748 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCCC2)cc1C ZINC000034991150 387005840 /nfs/dbraw/zinc/00/58/40/387005840.db2.gz XQXZCJNCFXCVAD-UHFFFAOYSA-N 1 0 217.356 3.644 20 0 BHADRO CCC(CC)[NH2+]Cc1ccccc1OC(C)C ZINC000034991219 168389408 /nfs/dbraw/zinc/38/94/08/168389408.db2.gz IXEGYLAQYGAZSD-UHFFFAOYSA-N 1 0 235.371 3.752 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991227 387006093 /nfs/dbraw/zinc/00/60/93/387006093.db2.gz IQAZXBYEDQIRKH-UHFFFAOYSA-N 1 0 219.372 3.890 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000034991394 643447374 /nfs/dbraw/zinc/44/73/74/643447374.db2.gz CAMYXIGWHRJUCY-CYBMUJFWSA-N 1 0 235.371 3.841 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000034991395 636351418 /nfs/dbraw/zinc/35/14/18/636351418.db2.gz CAMYXIGWHRJUCY-ZDUSSCGKSA-N 1 0 235.371 3.841 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000034991442 643448239 /nfs/dbraw/zinc/44/82/39/643448239.db2.gz FDQRTTVGSMJFLK-CYBMUJFWSA-N 1 0 235.371 3.841 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000034991443 643447344 /nfs/dbraw/zinc/44/73/44/643447344.db2.gz FDQRTTVGSMJFLK-ZDUSSCGKSA-N 1 0 235.371 3.841 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991535 351376520 /nfs/dbraw/zinc/37/65/20/351376520.db2.gz JJQBEGRMCKCUKF-CYBMUJFWSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991536 351376806 /nfs/dbraw/zinc/37/68/06/351376806.db2.gz JJQBEGRMCKCUKF-ZDUSSCGKSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991557 351377149 /nfs/dbraw/zinc/37/71/49/351377149.db2.gz JVTUMUBCRKISGW-CQSZACIVSA-N 1 0 219.372 3.890 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991558 351376729 /nfs/dbraw/zinc/37/67/29/351376729.db2.gz JVTUMUBCRKISGW-AWEZNQCLSA-N 1 0 219.372 3.890 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)c(C)c2)cc1 ZINC000034991873 178614961 /nfs/dbraw/zinc/61/49/61/178614961.db2.gz GPNAMWPIMOCBHS-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCCOC(C)C)cc1C ZINC000034991896 262807709 /nfs/dbraw/zinc/80/77/09/262807709.db2.gz VLILDLRODGSTDL-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccs2)cc1C ZINC000034991918 343282674 /nfs/dbraw/zinc/28/26/74/343282674.db2.gz HXPAHNDSKIVXFW-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cc(C)c(C[NH2+]Cc2cccs2)cc1C ZINC000034991925 636351084 /nfs/dbraw/zinc/35/10/84/636351084.db2.gz KCJMLUFUCNZMPY-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2F)cc1C ZINC000034991952 636351095 /nfs/dbraw/zinc/35/10/95/636351095.db2.gz MZTVLCPLDCLDRZ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)C(C)C ZINC000034991993 387006193 /nfs/dbraw/zinc/00/61/93/387006193.db2.gz PRKRDVYOUPPYCX-CYBMUJFWSA-N 1 0 235.371 3.608 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)C(C)C ZINC000034991994 387006139 /nfs/dbraw/zinc/00/61/39/387006139.db2.gz PRKRDVYOUPPYCX-ZDUSSCGKSA-N 1 0 235.371 3.608 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1C ZINC000034992535 343282564 /nfs/dbraw/zinc/28/25/64/343282564.db2.gz UWOISUFFRQCVRC-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1C ZINC000034992536 343282900 /nfs/dbraw/zinc/28/29/00/343282900.db2.gz UWOISUFFRQCVRC-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccs2)cc1C ZINC000034992607 387004613 /nfs/dbraw/zinc/00/46/13/387004613.db2.gz AERUKEUONJCSAL-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCc2ccco2)cc1C ZINC000034992646 387004276 /nfs/dbraw/zinc/00/42/76/387004276.db2.gz LOHZWVXVYOHIQC-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1C ZINC000034993501 343282523 /nfs/dbraw/zinc/28/25/23/343282523.db2.gz YCYLZLNBHVLOJH-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1C ZINC000034993502 343282885 /nfs/dbraw/zinc/28/28/85/343282885.db2.gz YCYLZLNBHVLOJH-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000034993610 383822270 /nfs/dbraw/zinc/82/22/70/383822270.db2.gz XLNLAYODXWOBMG-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000034993611 383822638 /nfs/dbraw/zinc/82/26/38/383822638.db2.gz XLNLAYODXWOBMG-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034994251 384393639 /nfs/dbraw/zinc/39/36/39/384393639.db2.gz SORBAKHYAKUVFB-IGQOVBAYSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000034994271 643448043 /nfs/dbraw/zinc/44/80/43/643448043.db2.gz IMYMRSOBKBWFOF-UHFFFAOYSA-N 1 0 247.338 3.721 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000034994351 387025201 /nfs/dbraw/zinc/02/52/01/387025201.db2.gz BRKMWHKPIJWKKM-BFHYXJOUSA-N 1 0 233.355 3.728 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000034994353 387025575 /nfs/dbraw/zinc/02/55/75/387025575.db2.gz BRKMWHKPIJWKKM-MGPQQGTHSA-N 1 0 233.355 3.728 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034994635 636354932 /nfs/dbraw/zinc/35/49/32/636354932.db2.gz CDIZKMSJPJGBNH-BFHYXJOUSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000034994637 636354098 /nfs/dbraw/zinc/35/40/98/636354098.db2.gz CDIZKMSJPJGBNH-MGPQQGTHSA-N 1 0 209.377 3.735 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000034994673 183351272 /nfs/dbraw/zinc/35/12/72/183351272.db2.gz PYQLVFSTPQXVAI-ARFHVFGLSA-N 1 0 244.382 3.530 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccn1 ZINC000034994675 183351831 /nfs/dbraw/zinc/35/18/31/183351831.db2.gz PYQLVFSTPQXVAI-BZUAXINKSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000034994692 387549611 /nfs/dbraw/zinc/54/96/11/387549611.db2.gz AFLLYOCKJVMGNC-ARFHVFGLSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000034994694 387549551 /nfs/dbraw/zinc/54/95/51/387549551.db2.gz AFLLYOCKJVMGNC-BZUAXINKSA-N 1 0 244.382 3.530 20 0 BHADRO COc1cccc2cc(C[NH2+]CCC(C)C)oc21 ZINC000034994724 175306702 /nfs/dbraw/zinc/30/67/02/175306702.db2.gz XXHHWHFPLMWINL-UHFFFAOYSA-N 1 0 247.338 3.577 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034994898 384394081 /nfs/dbraw/zinc/39/40/81/384394081.db2.gz ZGQVVFAGYKTJMC-BFHYXJOUSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000034994900 384393388 /nfs/dbraw/zinc/39/33/88/384393388.db2.gz ZGQVVFAGYKTJMC-MGPQQGTHSA-N 1 0 209.377 3.591 20 0 BHADRO C1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000034994962 636354833 /nfs/dbraw/zinc/35/48/33/636354833.db2.gz KNIWJBSLJLZLFP-GZBFAFLISA-N 1 0 221.388 3.878 20 0 BHADRO C1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000034994963 636354031 /nfs/dbraw/zinc/35/40/31/636354031.db2.gz KNIWJBSLJLZLFP-KCQAQPDRSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000034995091 636354697 /nfs/dbraw/zinc/35/46/97/636354697.db2.gz ZDTCTBVEZTXXTO-UHFFFAOYSA-N 1 0 247.338 3.720 20 0 BHADRO c1ccc2c(c1)CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000034995203 357965809 /nfs/dbraw/zinc/96/58/09/357965809.db2.gz JKPHZFNNLMZYBW-KRWDZBQOSA-N 1 0 243.394 3.856 20 0 BHADRO c1ccc2c(c1)CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000034995204 357965475 /nfs/dbraw/zinc/96/54/75/357965475.db2.gz JKPHZFNNLMZYBW-QGZVFWFLSA-N 1 0 243.394 3.856 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000034995420 636354172 /nfs/dbraw/zinc/35/41/72/636354172.db2.gz ZRMDBBZGZHOWRP-LLVKDONJSA-N 1 0 238.375 3.740 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000034995421 636354762 /nfs/dbraw/zinc/35/47/62/636354762.db2.gz ZRMDBBZGZHOWRP-NSHDSACASA-N 1 0 238.375 3.740 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000034995422 636355003 /nfs/dbraw/zinc/35/50/03/636355003.db2.gz IIWTZLCFRVGAIV-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CCSCC1 ZINC000034995423 636354533 /nfs/dbraw/zinc/35/45/33/636354533.db2.gz IIWTZLCFRVGAIV-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000034995424 636354342 /nfs/dbraw/zinc/35/43/42/636354342.db2.gz QVTFUWFVCAKGTL-LLVKDONJSA-N 1 0 240.416 3.900 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000034995425 636355011 /nfs/dbraw/zinc/35/50/11/636355011.db2.gz QVTFUWFVCAKGTL-NSHDSACASA-N 1 0 240.416 3.900 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000034995809 168164343 /nfs/dbraw/zinc/16/43/43/168164343.db2.gz WYWMEBLQFHMRNE-QWFMPGPPSA-N 1 0 243.394 3.712 20 0 BHADRO CC1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000034995810 168165913 /nfs/dbraw/zinc/16/59/13/168165913.db2.gz WYWMEBLQFHMRNE-IMRCBTMISA-N 1 0 243.394 3.712 20 0 BHADRO COc1cccc2cc(C[NH2+][C@H](C)C(C)C)oc21 ZINC000034995929 645856949 /nfs/dbraw/zinc/85/69/49/645856949.db2.gz FZFFRSKZXLGZJQ-LLVKDONJSA-N 1 0 247.338 3.576 20 0 BHADRO COc1cccc2cc(C[NH2+][C@@H](C)C(C)C)oc21 ZINC000034995930 645856851 /nfs/dbraw/zinc/85/68/51/645856851.db2.gz FZFFRSKZXLGZJQ-NSHDSACASA-N 1 0 247.338 3.576 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C)cc1 ZINC000034996322 645857762 /nfs/dbraw/zinc/85/77/62/645857762.db2.gz SAVPIZNPTINTAO-KGLIPLIRSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C)cc1 ZINC000034996323 645857026 /nfs/dbraw/zinc/85/70/26/645857026.db2.gz SAVPIZNPTINTAO-ZIAGYGMSSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(C)cc1 ZINC000034996324 645856869 /nfs/dbraw/zinc/85/68/69/645856869.db2.gz SAVPIZNPTINTAO-KBPBESRZSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C)cc1 ZINC000034996325 645857790 /nfs/dbraw/zinc/85/77/90/645857790.db2.gz SAVPIZNPTINTAO-UONOGXRCSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)c1ccc(C)cc1 ZINC000034996362 171515989 /nfs/dbraw/zinc/51/59/89/171515989.db2.gz HJZIJYIZGRLIAL-HNNXBMFYSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)c1ccc(C)cc1 ZINC000034996363 636355811 /nfs/dbraw/zinc/35/58/11/636355811.db2.gz HJZIJYIZGRLIAL-OAHLLOKOSA-N 1 0 249.423 3.931 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996453 168362705 /nfs/dbraw/zinc/36/27/05/168362705.db2.gz PIFWGMHEILMXSG-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCOc2ccccc21 ZINC000034996454 168364483 /nfs/dbraw/zinc/36/44/83/168364483.db2.gz PIFWGMHEILMXSG-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000035009742 183505982 /nfs/dbraw/zinc/50/59/82/183505982.db2.gz RCPBTYLEKZIQDX-RRFJBIMHSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000035009759 176145346 /nfs/dbraw/zinc/14/53/46/176145346.db2.gz UHWOEWPMQBCGMT-XOKHGSTOSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000035009761 176124074 /nfs/dbraw/zinc/12/40/74/176124074.db2.gz UHWOEWPMQBCGMT-KBRIMQKVSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011435 343282833 /nfs/dbraw/zinc/28/28/33/343282833.db2.gz SEVUKSSYMWIUMI-CMPLNLGQSA-N 1 0 247.363 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011437 343282803 /nfs/dbraw/zinc/28/28/03/343282803.db2.gz SEVUKSSYMWIUMI-ZYHUDNBSSA-N 1 0 247.363 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011439 343282618 /nfs/dbraw/zinc/28/26/18/343282618.db2.gz SEVUKSSYMWIUMI-JQWIXIFHSA-N 1 0 247.363 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011441 343282876 /nfs/dbraw/zinc/28/28/76/343282876.db2.gz SEVUKSSYMWIUMI-PWSUYJOCSA-N 1 0 247.363 3.589 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000035012719 387128964 /nfs/dbraw/zinc/12/89/64/387128964.db2.gz LYHDTMQOFANDLL-CABCVRRESA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000035012721 187208182 /nfs/dbraw/zinc/20/81/82/187208182.db2.gz LYHDTMQOFANDLL-HUUCEWRRSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000035012723 356703615 /nfs/dbraw/zinc/70/36/15/356703615.db2.gz LYHDTMQOFANDLL-GJZGRUSLSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000035012724 187208150 /nfs/dbraw/zinc/20/81/50/187208150.db2.gz LYHDTMQOFANDLL-LSDHHAIUSA-N 1 0 249.423 3.869 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000035013120 358453195 /nfs/dbraw/zinc/45/31/95/358453195.db2.gz QTAMAYILTZISJT-KGLIPLIRSA-N 1 0 235.396 3.623 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000035013122 169403621 /nfs/dbraw/zinc/40/36/21/169403621.db2.gz QTAMAYILTZISJT-ZIAGYGMSSA-N 1 0 235.396 3.623 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000035013124 169513243 /nfs/dbraw/zinc/51/32/43/169513243.db2.gz QTAMAYILTZISJT-KBPBESRZSA-N 1 0 235.396 3.623 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000035013126 387550097 /nfs/dbraw/zinc/55/00/97/387550097.db2.gz QTAMAYILTZISJT-UONOGXRCSA-N 1 0 235.396 3.623 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2sccc2C)o1 ZINC000035013370 383825020 /nfs/dbraw/zinc/82/50/20/383825020.db2.gz KYVWTKRLKHEGOC-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2sccc2C)o1 ZINC000035013372 383824417 /nfs/dbraw/zinc/82/44/17/383824417.db2.gz KYVWTKRLKHEGOC-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000035013386 384393468 /nfs/dbraw/zinc/39/34/68/384393468.db2.gz PQWPHTFJXKIRLU-NSHDSACASA-N 1 0 209.333 3.675 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000035013388 384393925 /nfs/dbraw/zinc/39/39/25/384393925.db2.gz PQWPHTFJXKIRLU-LLVKDONJSA-N 1 0 209.333 3.675 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2)o1 ZINC000035013394 384394824 /nfs/dbraw/zinc/39/48/24/384394824.db2.gz BZEOCXONAKKDAQ-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2)o1 ZINC000035013396 384393754 /nfs/dbraw/zinc/39/37/54/384393754.db2.gz BZEOCXONAKKDAQ-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000035014386 188285371 /nfs/dbraw/zinc/28/53/71/188285371.db2.gz HWRVSNDXRAHIDO-MRVPVSSYSA-N 1 0 249.326 3.624 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000035014387 171343172 /nfs/dbraw/zinc/34/31/72/171343172.db2.gz HWRVSNDXRAHIDO-QMMMGPOBSA-N 1 0 249.326 3.624 20 0 BHADRO CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000035014510 383824083 /nfs/dbraw/zinc/82/40/83/383824083.db2.gz OISKTYZJYTVIOA-UHFFFAOYSA-N 1 0 249.326 3.625 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1ccc(C)cc1 ZINC000035014909 358453015 /nfs/dbraw/zinc/45/30/15/358453015.db2.gz LYJHENIEQYEDHL-AWEZNQCLSA-N 1 0 237.412 3.789 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1ccc(C)cc1 ZINC000035014911 387549099 /nfs/dbraw/zinc/54/90/99/387549099.db2.gz LYJHENIEQYEDHL-CQSZACIVSA-N 1 0 237.412 3.789 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCSC)cc1 ZINC000035014993 358450479 /nfs/dbraw/zinc/45/04/79/358450479.db2.gz NAXBTTZUHPBWBP-GFCCVEGCSA-N 1 0 237.412 3.653 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCSC)cc1 ZINC000035014995 358450609 /nfs/dbraw/zinc/45/06/09/358450609.db2.gz NAXBTTZUHPBWBP-LBPRGKRZSA-N 1 0 237.412 3.653 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000035015049 358450288 /nfs/dbraw/zinc/45/02/88/358450288.db2.gz OLHKEBCKVYKSRL-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035015051 358450788 /nfs/dbraw/zinc/45/07/88/358450788.db2.gz OLHKEBCKVYKSRL-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000035015305 387129984 /nfs/dbraw/zinc/12/99/84/387129984.db2.gz NLTUXEQCJSVQIU-NSHDSACASA-N 1 0 249.379 3.837 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000035015309 387130005 /nfs/dbraw/zinc/13/00/05/387130005.db2.gz NLTUXEQCJSVQIU-LLVKDONJSA-N 1 0 249.379 3.837 20 0 BHADRO CCC[C@H]([NH2+]CCCSC)c1ccccc1 ZINC000035015509 358453042 /nfs/dbraw/zinc/45/30/42/358453042.db2.gz GGKRGSVZCKYFQG-AWEZNQCLSA-N 1 0 237.412 3.871 20 0 BHADRO CCC[C@@H]([NH2+]CCCSC)c1ccccc1 ZINC000035015511 169399778 /nfs/dbraw/zinc/39/97/78/169399778.db2.gz GGKRGSVZCKYFQG-CQSZACIVSA-N 1 0 237.412 3.871 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000035015791 383824837 /nfs/dbraw/zinc/82/48/37/383824837.db2.gz PRTTUVHDSPQWKI-INIZCTEOSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000035015794 383825866 /nfs/dbraw/zinc/82/58/66/383825866.db2.gz PRTTUVHDSPQWKI-MRXNPFEDSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000035015804 343283299 /nfs/dbraw/zinc/28/32/99/343283299.db2.gz OONNYZDBVBLKTL-INIZCTEOSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000035015807 383824176 /nfs/dbraw/zinc/82/41/76/383824176.db2.gz OONNYZDBVBLKTL-MRXNPFEDSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000035015869 343283215 /nfs/dbraw/zinc/28/32/15/343283215.db2.gz HFYWUXKIEHKTGO-HNNXBMFYSA-N 1 0 229.323 3.767 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000035015872 383823793 /nfs/dbraw/zinc/82/37/93/383823793.db2.gz HFYWUXKIEHKTGO-OAHLLOKOSA-N 1 0 229.323 3.767 20 0 BHADRO CSCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000035016020 411181688 /nfs/dbraw/zinc/18/16/88/411181688.db2.gz SCECMYLIQLPKIW-AWEZNQCLSA-N 1 0 237.412 3.726 20 0 BHADRO CSCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035016023 398089653 /nfs/dbraw/zinc/08/96/53/398089653.db2.gz SCECMYLIQLPKIW-CQSZACIVSA-N 1 0 237.412 3.726 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000035016064 343283076 /nfs/dbraw/zinc/28/30/76/343283076.db2.gz ONTCQROALYXGSA-INIZCTEOSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000035016067 383825185 /nfs/dbraw/zinc/82/51/85/383825185.db2.gz ONTCQROALYXGSA-MRXNPFEDSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000035016292 187257400 /nfs/dbraw/zinc/25/74/00/187257400.db2.gz RPCWNRVVLBYJQO-HNNXBMFYSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000035016294 383824877 /nfs/dbraw/zinc/82/48/77/383824877.db2.gz RPCWNRVVLBYJQO-OAHLLOKOSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000035016379 323395235 /nfs/dbraw/zinc/39/52/35/323395235.db2.gz KAHRTJICYVELGR-HNNXBMFYSA-N 1 0 247.313 3.906 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000035016381 323394696 /nfs/dbraw/zinc/39/46/96/323394696.db2.gz KAHRTJICYVELGR-OAHLLOKOSA-N 1 0 247.313 3.906 20 0 BHADRO CC(C)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000035016437 262721296 /nfs/dbraw/zinc/72/12/96/262721296.db2.gz XUEASOQUERZDOK-CQSZACIVSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000035016439 323394649 /nfs/dbraw/zinc/39/46/49/323394649.db2.gz XUEASOQUERZDOK-AWEZNQCLSA-N 1 0 223.335 3.768 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000035016544 323394637 /nfs/dbraw/zinc/39/46/37/323394637.db2.gz BEQIHGGDRNVUFU-CQSZACIVSA-N 1 0 223.335 3.913 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000035016546 323395129 /nfs/dbraw/zinc/39/51/29/323395129.db2.gz BEQIHGGDRNVUFU-AWEZNQCLSA-N 1 0 223.335 3.913 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@@H](C)CC ZINC000035017721 323394841 /nfs/dbraw/zinc/39/48/41/323394841.db2.gz UVBHZYHCTMHSJU-NSHDSACASA-N 1 0 231.339 3.883 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@H](C)CC ZINC000035017723 323394796 /nfs/dbraw/zinc/39/47/96/323394796.db2.gz UVBHZYHCTMHSJU-LLVKDONJSA-N 1 0 231.339 3.883 20 0 BHADRO CCCC[NH2+]Cc1c2ccccc2oc1CC ZINC000035017753 383823502 /nfs/dbraw/zinc/82/35/02/383823502.db2.gz UKEGYPDTBONJTJ-UHFFFAOYSA-N 1 0 231.339 3.885 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CC(C)C ZINC000035017777 323395013 /nfs/dbraw/zinc/39/50/13/323395013.db2.gz HOZMOPHJPFRLOS-UHFFFAOYSA-N 1 0 231.339 3.741 20 0 BHADRO CCC[NH+](CCC)CCCC(=O)c1ccccc1 ZINC000035039076 323395909 /nfs/dbraw/zinc/39/59/09/323395909.db2.gz QARSWTPKLYETTM-UHFFFAOYSA-N 1 0 247.382 3.772 20 0 BHADRO CCCC[N@H+](CC)CCCC(=O)c1ccccc1 ZINC000035041160 323397070 /nfs/dbraw/zinc/39/70/70/323397070.db2.gz VSQOTJJXURZHGR-UHFFFAOYSA-N 1 0 247.382 3.772 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000035043567 167011136 /nfs/dbraw/zinc/01/11/36/167011136.db2.gz IOQSOWXHYIEYMA-GFCCVEGCSA-N 1 0 239.359 3.608 20 0 BHADRO CC(C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000035043570 167015440 /nfs/dbraw/zinc/01/54/40/167015440.db2.gz IOQSOWXHYIEYMA-LBPRGKRZSA-N 1 0 239.359 3.608 20 0 BHADRO CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000035043727 262837541 /nfs/dbraw/zinc/83/75/41/262837541.db2.gz WLAJZGPOLAKXMN-GFCCVEGCSA-N 1 0 239.359 3.752 20 0 BHADRO CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000035043730 387551484 /nfs/dbraw/zinc/55/14/84/387551484.db2.gz WLAJZGPOLAKXMN-LBPRGKRZSA-N 1 0 239.359 3.752 20 0 BHADRO CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045542 387551836 /nfs/dbraw/zinc/55/18/36/387551836.db2.gz BZOLBRRJAXQEGH-LURJTMIESA-N 1 0 236.117 3.803 20 0 BHADRO CC[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045543 262837344 /nfs/dbraw/zinc/83/73/44/262837344.db2.gz BZOLBRRJAXQEGH-ZCFIWIBFSA-N 1 0 236.117 3.803 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046298 167134646 /nfs/dbraw/zinc/13/46/46/167134646.db2.gz GWMRTNZSHXDWPU-CYBMUJFWSA-N 1 0 223.747 3.789 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046299 167139445 /nfs/dbraw/zinc/13/94/45/167139445.db2.gz GWMRTNZSHXDWPU-ZDUSSCGKSA-N 1 0 223.747 3.789 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000035046602 487540750 /nfs/dbraw/zinc/54/07/50/487540750.db2.gz NRUUJTAOWJUNBC-ZDUSSCGKSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000035046603 262838208 /nfs/dbraw/zinc/83/82/08/262838208.db2.gz NRUUJTAOWJUNBC-CYBMUJFWSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000035047572 167011282 /nfs/dbraw/zinc/01/12/82/167011282.db2.gz ODUBDOVIUKQUAS-GFCCVEGCSA-N 1 0 239.359 3.608 20 0 BHADRO CC(C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000035047574 167014579 /nfs/dbraw/zinc/01/45/79/167014579.db2.gz ODUBDOVIUKQUAS-LBPRGKRZSA-N 1 0 239.359 3.608 20 0 BHADRO CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000035047638 262838120 /nfs/dbraw/zinc/83/81/20/262838120.db2.gz SYPRBRDZQHMOQV-GFCCVEGCSA-N 1 0 239.359 3.752 20 0 BHADRO CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000035047639 262837753 /nfs/dbraw/zinc/83/77/53/262837753.db2.gz SYPRBRDZQHMOQV-LBPRGKRZSA-N 1 0 239.359 3.752 20 0 BHADRO COc1ccc([C@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000035047717 636503874 /nfs/dbraw/zinc/50/38/74/636503874.db2.gz QIAUCVHYSYXLDG-MRXNPFEDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000035047718 636504199 /nfs/dbraw/zinc/50/41/99/636504199.db2.gz QIAUCVHYSYXLDG-INIZCTEOSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H]([NH2+]CCC(C)C)C2CC2)cc1 ZINC000035047733 487540471 /nfs/dbraw/zinc/54/04/71/487540471.db2.gz IPJAHGRGFNBQHA-MRXNPFEDSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@@H]([NH2+]CCC(C)C)C2CC2)cc1 ZINC000035047734 487540406 /nfs/dbraw/zinc/54/04/06/487540406.db2.gz IPJAHGRGFNBQHA-INIZCTEOSA-N 1 0 247.382 3.782 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000035047735 487540999 /nfs/dbraw/zinc/54/09/99/487540999.db2.gz PNYMEFLURFMDMB-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000035047736 487540935 /nfs/dbraw/zinc/54/09/35/487540935.db2.gz PNYMEFLURFMDMB-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000035053005 645895101 /nfs/dbraw/zinc/89/51/01/645895101.db2.gz URRFKSUTOSGODR-KRWDZBQOSA-N 1 0 237.346 3.928 20 0 BHADRO c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000035053006 645895554 /nfs/dbraw/zinc/89/55/54/645895554.db2.gz URRFKSUTOSGODR-QGZVFWFLSA-N 1 0 237.346 3.928 20 0 BHADRO c1csc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000035053153 183430721 /nfs/dbraw/zinc/43/07/21/183430721.db2.gz LIFNFSUHKLSTNN-HNNXBMFYSA-N 1 0 243.375 3.989 20 0 BHADRO c1csc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000035053155 636519257 /nfs/dbraw/zinc/51/92/57/636519257.db2.gz LIFNFSUHKLSTNN-OAHLLOKOSA-N 1 0 243.375 3.989 20 0 BHADRO c1coc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000035053168 383825367 /nfs/dbraw/zinc/82/53/67/383825367.db2.gz UALUOHUFLUKUBV-HNNXBMFYSA-N 1 0 227.307 3.521 20 0 BHADRO c1coc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000035053170 383823778 /nfs/dbraw/zinc/82/37/78/383823778.db2.gz UALUOHUFLUKUBV-OAHLLOKOSA-N 1 0 227.307 3.521 20 0 BHADRO c1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)cs1 ZINC000035053199 636519603 /nfs/dbraw/zinc/51/96/03/636519603.db2.gz YRYPTIHWSXHDDS-HNNXBMFYSA-N 1 0 243.375 3.989 20 0 BHADRO c1cc(C[NH2+][C@H](c2ccccc2)C2CC2)cs1 ZINC000035053200 636519232 /nfs/dbraw/zinc/51/92/32/636519232.db2.gz YRYPTIHWSXHDDS-OAHLLOKOSA-N 1 0 243.375 3.989 20 0 BHADRO c1ccc([C@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000035053237 183429739 /nfs/dbraw/zinc/42/97/39/183429739.db2.gz HLAALLRHGVLRFD-HNNXBMFYSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000035053238 384296045 /nfs/dbraw/zinc/29/60/45/384296045.db2.gz HLAALLRHGVLRFD-OAHLLOKOSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@H]([NH2+]C2CCSCC2)C2CC2)cc1 ZINC000035053296 645895904 /nfs/dbraw/zinc/89/59/04/645895904.db2.gz ZWLXKLRFGODYKZ-HNNXBMFYSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CCSCC2)C2CC2)cc1 ZINC000035053297 645896370 /nfs/dbraw/zinc/89/63/70/645896370.db2.gz ZWLXKLRFGODYKZ-OAHLLOKOSA-N 1 0 247.407 3.623 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000035053298 262837944 /nfs/dbraw/zinc/83/79/44/262837944.db2.gz NAMRNYYBTFMWKH-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000035053299 398169453 /nfs/dbraw/zinc/16/94/53/398169453.db2.gz NAMRNYYBTFMWKH-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000035053302 262838115 /nfs/dbraw/zinc/83/81/15/262838115.db2.gz HYMWWQYKEUBRLO-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000035053303 262837797 /nfs/dbraw/zinc/83/77/97/262837797.db2.gz HYMWWQYKEUBRLO-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1 ZINC000035055156 387552932 /nfs/dbraw/zinc/55/29/32/387552932.db2.gz KQHJHXDAQFHLAS-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1 ZINC000035055157 387553077 /nfs/dbraw/zinc/55/30/77/387553077.db2.gz KQHJHXDAQFHLAS-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO Nc1cccc(C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000035081153 398074170 /nfs/dbraw/zinc/07/41/70/398074170.db2.gz XTQJMJUFGYUPSV-UHFFFAOYSA-N 1 0 244.382 3.566 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000035100729 636739351 /nfs/dbraw/zinc/73/93/51/636739351.db2.gz BCUVBEUWBRGLRN-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000035100730 636739560 /nfs/dbraw/zinc/73/95/60/636739560.db2.gz BCUVBEUWBRGLRN-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000035100731 636740341 /nfs/dbraw/zinc/74/03/41/636740341.db2.gz BCUVBEUWBRGLRN-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000035100732 636740733 /nfs/dbraw/zinc/74/07/33/636740733.db2.gz BCUVBEUWBRGLRN-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000035101351 170107116 /nfs/dbraw/zinc/10/71/16/170107116.db2.gz DHLIWXXLWAOVAU-UHFFFAOYSA-N 1 0 247.288 3.664 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000035102088 170148654 /nfs/dbraw/zinc/14/86/54/170148654.db2.gz NUIQJMMNCZWGES-INIZCTEOSA-N 1 0 225.335 3.694 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000035102089 170164913 /nfs/dbraw/zinc/16/49/13/170164913.db2.gz NUIQJMMNCZWGES-MRXNPFEDSA-N 1 0 225.335 3.694 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000035102090 170148770 /nfs/dbraw/zinc/14/87/70/170148770.db2.gz HGGBOQFVGGBQRM-INIZCTEOSA-N 1 0 225.335 3.694 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000035102091 170164740 /nfs/dbraw/zinc/16/47/40/170164740.db2.gz HGGBOQFVGGBQRM-MRXNPFEDSA-N 1 0 225.335 3.694 20 0 BHADRO CCCC[N@H+](CC)C/C=C\c1ccccc1 ZINC000035105313 355809269 /nfs/dbraw/zinc/80/92/69/355809269.db2.gz LRMRYVILDDKJIT-XFXZXTDPSA-N 1 0 217.356 3.822 20 0 BHADRO CCCCc1oc2ccccc2c1C[NH2+]CC ZINC000035112273 169033124 /nfs/dbraw/zinc/03/31/24/169033124.db2.gz KCZLPOBZJBKNOD-UHFFFAOYSA-N 1 0 231.339 3.885 20 0 BHADRO CC[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000035117217 357971078 /nfs/dbraw/zinc/97/10/78/357971078.db2.gz NUNILXNLYICWKJ-ZDUSSCGKSA-N 1 0 235.327 3.586 20 0 BHADRO CC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000035117219 357971040 /nfs/dbraw/zinc/97/10/40/357971040.db2.gz NUNILXNLYICWKJ-CYBMUJFWSA-N 1 0 235.327 3.586 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C1CCSCC1 ZINC000035120742 343285303 /nfs/dbraw/zinc/28/53/03/343285303.db2.gz RBDBDLWXDNIHKR-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C1CCSCC1 ZINC000035120743 168998438 /nfs/dbraw/zinc/99/84/38/168998438.db2.gz RBDBDLWXDNIHKR-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO C1CC([NH2+]C2CCCCCCC2)CCS1 ZINC000035120774 343285108 /nfs/dbraw/zinc/28/51/08/343285108.db2.gz JBTDJDGXNDOJQB-UHFFFAOYSA-N 1 0 227.417 3.585 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000035120781 166820649 /nfs/dbraw/zinc/82/06/49/166820649.db2.gz TXIXRHHOSKPDCL-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1CCSCC1 ZINC000035120782 383831745 /nfs/dbraw/zinc/83/17/45/383831745.db2.gz TXIXRHHOSKPDCL-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCSCC1 ZINC000035120789 183441838 /nfs/dbraw/zinc/44/18/38/183441838.db2.gz YGEIBINRHIWODO-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCSCC1 ZINC000035120790 383831200 /nfs/dbraw/zinc/83/12/00/383831200.db2.gz YGEIBINRHIWODO-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000035120859 179318974 /nfs/dbraw/zinc/31/89/74/179318974.db2.gz VQQFWEZZBKTXFA-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1CCSCC1 ZINC000035120860 179337233 /nfs/dbraw/zinc/33/72/33/179337233.db2.gz VQQFWEZZBKTXFA-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000035121451 359649013 /nfs/dbraw/zinc/64/90/13/359649013.db2.gz YRFISANDZIMTER-UHFFFAOYSA-N 1 0 243.350 3.735 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCc2ccco2)c(C)c1 ZINC000035121474 387554240 /nfs/dbraw/zinc/55/42/40/387554240.db2.gz MSUTUVJDQUBTOC-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO c1coc(CC[NH2+]C2CCCCCCC2)c1 ZINC000035121612 636801656 /nfs/dbraw/zinc/80/16/56/636801656.db2.gz IKPODXUUIDVPOG-UHFFFAOYSA-N 1 0 221.344 3.525 20 0 BHADRO CCCC1CCC([NH2+]CCc2ccco2)CC1 ZINC000035121630 359649018 /nfs/dbraw/zinc/64/90/18/359649018.db2.gz ZLCAUJIKPSPPNC-UHFFFAOYSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)c1ccccc1Cl ZINC000035121838 387553350 /nfs/dbraw/zinc/55/33/50/387553350.db2.gz DHQHQZHINJNRRY-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)c1ccccc1Cl ZINC000035121839 387553798 /nfs/dbraw/zinc/55/37/98/387553798.db2.gz DHQHQZHINJNRRY-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000035134017 636815997 /nfs/dbraw/zinc/81/59/97/636815997.db2.gz NQDUHVJVAXIATQ-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000035135665 645975184 /nfs/dbraw/zinc/97/51/84/645975184.db2.gz MFTIFVPIDHULLQ-KGLIPLIRSA-N 1 0 209.377 3.901 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000035135667 645975941 /nfs/dbraw/zinc/97/59/41/645975941.db2.gz MFTIFVPIDHULLQ-KBPBESRZSA-N 1 0 209.377 3.901 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000035135669 645976083 /nfs/dbraw/zinc/97/60/83/645976083.db2.gz MFTIFVPIDHULLQ-ZIAGYGMSSA-N 1 0 209.377 3.901 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000035135670 645976190 /nfs/dbraw/zinc/97/61/90/645976190.db2.gz MFTIFVPIDHULLQ-UONOGXRCSA-N 1 0 209.377 3.901 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000035135683 645970064 /nfs/dbraw/zinc/97/00/64/645970064.db2.gz LUFLMJNCCKLBII-LLVKDONJSA-N 1 0 209.333 3.646 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000035135685 645971411 /nfs/dbraw/zinc/97/14/11/645971411.db2.gz LUFLMJNCCKLBII-NSHDSACASA-N 1 0 209.333 3.646 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccsc1 ZINC000035135697 645975595 /nfs/dbraw/zinc/97/55/95/645975595.db2.gz WLCPMKPVPRMCQK-LLVKDONJSA-N 1 0 211.374 3.807 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccsc1 ZINC000035135699 645976332 /nfs/dbraw/zinc/97/63/32/645976332.db2.gz WLCPMKPVPRMCQK-NSHDSACASA-N 1 0 211.374 3.807 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000035135756 342883620 /nfs/dbraw/zinc/88/36/20/342883620.db2.gz NMTQZBDEOTXACN-SNVBAGLBSA-N 1 0 226.389 3.510 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000035135758 342883581 /nfs/dbraw/zinc/88/35/81/342883581.db2.gz NMTQZBDEOTXACN-JTQLQIEISA-N 1 0 226.389 3.510 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000035136376 176874363 /nfs/dbraw/zinc/87/43/63/176874363.db2.gz HSBYBFMPUSVVDH-VIFPVBQESA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000035136377 384297044 /nfs/dbraw/zinc/29/70/44/384297044.db2.gz HSBYBFMPUSVVDH-SECBINFHSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000035136384 176877675 /nfs/dbraw/zinc/87/76/75/176877675.db2.gz VTKIBWFZIPZJMW-LBPRGKRZSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000035136386 344328485 /nfs/dbraw/zinc/32/84/85/344328485.db2.gz VTKIBWFZIPZJMW-GFCCVEGCSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000035136417 386436740 /nfs/dbraw/zinc/43/67/40/386436740.db2.gz LKIPCBJCQOSKSG-QMMMGPOBSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000035136418 386438193 /nfs/dbraw/zinc/43/81/93/386438193.db2.gz LKIPCBJCQOSKSG-MRVPVSSYSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035136427 384401623 /nfs/dbraw/zinc/40/16/23/384401623.db2.gz QTHNPVDZVYYXRM-QMMMGPOBSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035136429 322823188 /nfs/dbraw/zinc/82/31/88/322823188.db2.gz QTHNPVDZVYYXRM-MRVPVSSYSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CC1 ZINC000035136436 387554459 /nfs/dbraw/zinc/55/44/59/387554459.db2.gz OQOFTNCHIGQTDT-VIFPVBQESA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CC1 ZINC000035136438 359648970 /nfs/dbraw/zinc/64/89/70/359648970.db2.gz OQOFTNCHIGQTDT-SECBINFHSA-N 1 0 243.272 3.594 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000035136560 262839555 /nfs/dbraw/zinc/83/95/55/262839555.db2.gz JHCKCGQKSIHRBS-DCBWTQNWSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000035136561 384401283 /nfs/dbraw/zinc/40/12/83/384401283.db2.gz JHCKCGQKSIHRBS-LKSINWNRSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC000035136626 387555706 /nfs/dbraw/zinc/55/57/06/387555706.db2.gz PNRWYIFDOARNOM-LBPRGKRZSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC000035136628 359649236 /nfs/dbraw/zinc/64/92/36/359649236.db2.gz PNRWYIFDOARNOM-GFCCVEGCSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccco1 ZINC000035136844 387551256 /nfs/dbraw/zinc/55/12/56/387551256.db2.gz GNYDZOPHCBEJHM-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccco1 ZINC000035136846 387551325 /nfs/dbraw/zinc/55/13/25/387551325.db2.gz GNYDZOPHCBEJHM-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035136872 643101408 /nfs/dbraw/zinc/10/14/08/643101408.db2.gz CIDJAPKVNZGFLT-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)c2ccco2)cc1 ZINC000035136874 187208010 /nfs/dbraw/zinc/20/80/10/187208010.db2.gz CIDJAPKVNZGFLT-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035136902 343286190 /nfs/dbraw/zinc/28/61/90/343286190.db2.gz ATRCDQDORFJWPD-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)c2ccco2)cc1 ZINC000035136903 343286335 /nfs/dbraw/zinc/28/63/35/343286335.db2.gz ATRCDQDORFJWPD-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1ccco1 ZINC000035136908 342883832 /nfs/dbraw/zinc/88/38/32/342883832.db2.gz GSKNQRHKXGTRGX-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1ccco1 ZINC000035136910 179550623 /nfs/dbraw/zinc/55/06/23/179550623.db2.gz GSKNQRHKXGTRGX-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000035136957 342883764 /nfs/dbraw/zinc/88/37/64/342883764.db2.gz NTRHBCYHMMXBHF-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccco2)s1 ZINC000035136959 342883815 /nfs/dbraw/zinc/88/38/15/342883815.db2.gz NTRHBCYHMMXBHF-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000035136964 359649382 /nfs/dbraw/zinc/64/93/82/359649382.db2.gz IIFVEVDUNRAWJK-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000035136965 359649490 /nfs/dbraw/zinc/64/94/90/359649490.db2.gz IIFVEVDUNRAWJK-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccco1 ZINC000035137048 262839929 /nfs/dbraw/zinc/83/99/29/262839929.db2.gz VTADCLSFIUYJNL-SRVKXCTJSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccco1 ZINC000035137050 262839920 /nfs/dbraw/zinc/83/99/20/262839920.db2.gz VTADCLSFIUYJNL-UTUOFQBUSA-N 1 0 221.344 3.755 20 0 BHADRO CC1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000035137793 168162519 /nfs/dbraw/zinc/16/25/19/168162519.db2.gz FPHLMZJADWKAJI-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO Fc1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000035137794 359649075 /nfs/dbraw/zinc/64/90/75/359649075.db2.gz PRSAROWOQYPDAY-UHFFFAOYSA-N 1 0 235.346 3.681 20 0 BHADRO Cc1ccsc1C[NH2+]CCc1cccc(F)c1 ZINC000035137874 636856789 /nfs/dbraw/zinc/85/67/89/636856789.db2.gz UEHSLVUIJFRHPY-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137898 176080605 /nfs/dbraw/zinc/08/06/05/176080605.db2.gz KWENWODTLPLPDJ-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137900 177082873 /nfs/dbraw/zinc/08/28/73/177082873.db2.gz KWENWODTLPLPDJ-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137901 176088785 /nfs/dbraw/zinc/08/87/85/176088785.db2.gz KWENWODTLPLPDJ-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137903 177088623 /nfs/dbraw/zinc/08/86/23/177088623.db2.gz KWENWODTLPLPDJ-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccc(F)c2)s1 ZINC000035137905 643101141 /nfs/dbraw/zinc/10/11/41/643101141.db2.gz DYHRZBVBOAREPT-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000035137919 176143392 /nfs/dbraw/zinc/14/33/92/176143392.db2.gz HAQRAANEOWEUGA-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000035137921 177137301 /nfs/dbraw/zinc/13/73/01/177137301.db2.gz HAQRAANEOWEUGA-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000035137922 176123412 /nfs/dbraw/zinc/12/34/12/176123412.db2.gz HAQRAANEOWEUGA-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000035137924 177123096 /nfs/dbraw/zinc/12/30/96/177123096.db2.gz HAQRAANEOWEUGA-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO Fc1cccc(CC[NH2+]CC2CCCCC2)c1 ZINC000035137926 359650419 /nfs/dbraw/zinc/65/04/19/359650419.db2.gz GHKDJIBUUGVNOU-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1cccc(F)c1 ZINC000035137952 636856875 /nfs/dbraw/zinc/85/68/75/636856875.db2.gz VMDVFGQRUGUAGV-STQMWFEESA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1cccc(F)c1 ZINC000035137953 636856640 /nfs/dbraw/zinc/85/66/40/636856640.db2.gz VMDVFGQRUGUAGV-CHWSQXEVSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1nc2ccccc2s1 ZINC000035142418 645977805 /nfs/dbraw/zinc/97/78/05/645977805.db2.gz WQXQRQGFDNLBOD-UWVGGRQHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1nc2ccccc2s1 ZINC000035142419 645977212 /nfs/dbraw/zinc/97/72/12/645977212.db2.gz WQXQRQGFDNLBOD-VHSXEESVSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000035142422 645977712 /nfs/dbraw/zinc/97/77/12/645977712.db2.gz WQXQRQGFDNLBOD-ZJUUUORDSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1nc2ccccc2s1 ZINC000035142424 645978681 /nfs/dbraw/zinc/97/86/81/645978681.db2.gz WQXQRQGFDNLBOD-NXEZZACHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccco1 ZINC000035142504 643100877 /nfs/dbraw/zinc/10/08/77/643100877.db2.gz KCFGYYKRJVIHSS-QMMMGPOBSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccco1 ZINC000035142507 643101234 /nfs/dbraw/zinc/10/12/34/643101234.db2.gz KCFGYYKRJVIHSS-MRVPVSSYSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000035143003 387554861 /nfs/dbraw/zinc/55/48/61/387554861.db2.gz LNEFCFMNKPQVEA-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000035143005 387554893 /nfs/dbraw/zinc/55/48/93/387554893.db2.gz LNEFCFMNKPQVEA-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000035151195 387555821 /nfs/dbraw/zinc/55/58/21/387555821.db2.gz ZPBOWXFICBEAQU-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO CCOCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000035151196 387555421 /nfs/dbraw/zinc/55/54/21/387555421.db2.gz ZPBOWXFICBEAQU-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000035151221 387554900 /nfs/dbraw/zinc/55/49/00/387554900.db2.gz VXHNTSVNUQYEIS-ZDUSSCGKSA-N 1 0 243.350 3.527 20 0 BHADRO CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000035151222 387555350 /nfs/dbraw/zinc/55/53/50/387555350.db2.gz VXHNTSVNUQYEIS-CYBMUJFWSA-N 1 0 243.350 3.527 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000035151243 387555197 /nfs/dbraw/zinc/55/51/97/387555197.db2.gz GNYWKHAKRAGIEF-ZDUSSCGKSA-N 1 0 243.350 3.527 20 0 BHADRO CCOCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000035151244 387555668 /nfs/dbraw/zinc/55/56/68/387555668.db2.gz GNYWKHAKRAGIEF-CYBMUJFWSA-N 1 0 243.350 3.527 20 0 BHADRO CCOCC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000035151428 383834574 /nfs/dbraw/zinc/83/45/74/383834574.db2.gz PHUUZQBLLYIHQG-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CC1CCCCC1 ZINC000035161778 175076347 /nfs/dbraw/zinc/07/63/47/175076347.db2.gz WGGGXKYVPGFIRF-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1CCCCCC1 ZINC000035161860 387556755 /nfs/dbraw/zinc/55/67/55/387556755.db2.gz YAXOCDMTXPNNGB-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H](C)CCC(C)C ZINC000035161865 387557756 /nfs/dbraw/zinc/55/77/56/387557756.db2.gz MGZFLPSEGMXCOL-AWEZNQCLSA-N 1 0 249.398 3.918 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H](C)CCC(C)C ZINC000035161866 262840195 /nfs/dbraw/zinc/84/01/95/262840195.db2.gz MGZFLPSEGMXCOL-CQSZACIVSA-N 1 0 249.398 3.918 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000035161923 387557493 /nfs/dbraw/zinc/55/74/93/387557493.db2.gz KJXOJRSVDMUCQO-DZGCQCFKSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000035161924 387556416 /nfs/dbraw/zinc/55/64/16/387556416.db2.gz KJXOJRSVDMUCQO-ZFWWWQNUSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000035161925 262840111 /nfs/dbraw/zinc/84/01/11/262840111.db2.gz KJXOJRSVDMUCQO-UKRRQHHQSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000035161926 387557316 /nfs/dbraw/zinc/55/73/16/387557316.db2.gz KJXOJRSVDMUCQO-HIFRSBDPSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1CCC(C)CC1 ZINC000035161939 355859925 /nfs/dbraw/zinc/85/99/25/355859925.db2.gz WXXJNIMLVOAZMR-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180071 168389904 /nfs/dbraw/zinc/38/99/04/168389904.db2.gz ZGIAIVFWWPADTN-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180111 169370784 /nfs/dbraw/zinc/37/07/84/169370784.db2.gz YUQZYBUTUVGAED-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180112 384017907 /nfs/dbraw/zinc/01/79/07/384017907.db2.gz YUQZYBUTUVGAED-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000035189094 384403887 /nfs/dbraw/zinc/40/38/87/384403887.db2.gz KAILLPXVPMSBHH-GFCCVEGCSA-N 1 0 211.736 3.647 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000035189095 384403041 /nfs/dbraw/zinc/40/30/41/384403041.db2.gz KAILLPXVPMSBHH-LBPRGKRZSA-N 1 0 211.736 3.647 20 0 BHADRO CCCCNc1cc(C)[nH+]c2ccccc12 ZINC000035206345 387562425 /nfs/dbraw/zinc/56/24/25/387562425.db2.gz YOYGPLLMOVGOFJ-UHFFFAOYSA-N 1 0 214.312 3.755 20 0 BHADRO Cc1cc(NC2CCCC2)c2ccccc2[nH+]1 ZINC000035206361 178154742 /nfs/dbraw/zinc/15/47/42/178154742.db2.gz ZFIXPLJUWNHPQC-UHFFFAOYSA-N 1 0 226.323 3.898 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000035223271 356420477 /nfs/dbraw/zinc/42/04/77/356420477.db2.gz ISLGVBDEPOSNIM-MFKMUULPSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000035223272 356420270 /nfs/dbraw/zinc/42/02/70/356420270.db2.gz ISLGVBDEPOSNIM-GWCFXTLKSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000035223273 356420369 /nfs/dbraw/zinc/42/03/69/356420369.db2.gz ISLGVBDEPOSNIM-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000035223274 356420354 /nfs/dbraw/zinc/42/03/54/356420354.db2.gz ISLGVBDEPOSNIM-GXFFZTMASA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1 ZINC000035223280 359652168 /nfs/dbraw/zinc/65/21/68/359652168.db2.gz MYJVYHFBOAPEEA-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO CC1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000035223283 356420455 /nfs/dbraw/zinc/42/04/55/356420455.db2.gz TYEAJISGXCKEFB-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO Fc1cccc(C[NH2+]CC2CCCCC2)c1F ZINC000035223465 356420348 /nfs/dbraw/zinc/42/03/48/356420348.db2.gz QTMRUZPHWFYWQK-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO Fc1cccc(C[NH2+]C2CCCCCC2)c1F ZINC000035223680 262842142 /nfs/dbraw/zinc/84/21/42/262842142.db2.gz OVJHGABTUUTUQY-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000035230231 179093488 /nfs/dbraw/zinc/09/34/88/179093488.db2.gz NTPTZVIQPDRDOH-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035232538 384407693 /nfs/dbraw/zinc/40/76/93/384407693.db2.gz JOPYWWSRSXSQLU-QMMMGPOBSA-N 1 0 217.765 3.852 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035232540 384406901 /nfs/dbraw/zinc/40/69/01/384406901.db2.gz JOPYWWSRSXSQLU-MRVPVSSYSA-N 1 0 217.765 3.852 20 0 BHADRO Cc1cc(NCC2CCC2)c2ccccc2[nH+]1 ZINC000035234517 178158811 /nfs/dbraw/zinc/15/88/11/178158811.db2.gz QHHBDZJUMVNFCB-UHFFFAOYSA-N 1 0 226.323 3.755 20 0 BHADRO CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000035250204 387560295 /nfs/dbraw/zinc/56/02/95/387560295.db2.gz HPYUAKMNBVTQIM-UHFFFAOYSA-N 1 0 229.323 3.755 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000035250206 178324678 /nfs/dbraw/zinc/32/46/78/178324678.db2.gz PKBQONCAVOGBFJ-UHFFFAOYSA-N 1 0 227.307 3.507 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]C(C)C)o2)cc1 ZINC000035250208 387560764 /nfs/dbraw/zinc/56/07/64/387560764.db2.gz BICLMQNRRJPLNB-UHFFFAOYSA-N 1 0 229.323 3.753 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000035253055 641322113 /nfs/dbraw/zinc/32/21/13/641322113.db2.gz XCCDRMAEDLLZKR-SNVBAGLBSA-N 1 0 243.441 3.769 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000035253057 641321884 /nfs/dbraw/zinc/32/18/84/641321884.db2.gz XCCDRMAEDLLZKR-JTQLQIEISA-N 1 0 243.441 3.769 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCCC2)cc1C ZINC000035253153 387562032 /nfs/dbraw/zinc/56/20/32/387562032.db2.gz OLOQPHHQRJRXIY-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2CCCC2)cc1C ZINC000035253154 387561980 /nfs/dbraw/zinc/56/19/80/387561980.db2.gz GTRMRWAKSKEQMO-UHFFFAOYSA-N 1 0 231.383 3.892 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035253725 387561680 /nfs/dbraw/zinc/56/16/80/387561680.db2.gz FOJBHUDSJHKGFC-QMMMGPOBSA-N 1 0 249.832 3.805 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035253726 384109289 /nfs/dbraw/zinc/10/92/89/384109289.db2.gz FOJBHUDSJHKGFC-MRVPVSSYSA-N 1 0 249.832 3.805 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000035253801 179094908 /nfs/dbraw/zinc/09/49/08/179094908.db2.gz VCNREVXNTNXMFA-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000035253803 179100516 /nfs/dbraw/zinc/10/05/16/179100516.db2.gz VCNREVXNTNXMFA-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000035253819 262841531 /nfs/dbraw/zinc/84/15/31/262841531.db2.gz JDHONBWMYZQQAC-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000035253821 387562259 /nfs/dbraw/zinc/56/22/59/387562259.db2.gz JDHONBWMYZQQAC-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)Cc1cccs1 ZINC000035253822 179282073 /nfs/dbraw/zinc/28/20/73/179282073.db2.gz UUNHELLSOOSKTB-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)Cc1cccs1 ZINC000035253823 179283897 /nfs/dbraw/zinc/28/38/97/179283897.db2.gz UUNHELLSOOSKTB-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]Cc1cccc(F)c1 ZINC000035253836 643104039 /nfs/dbraw/zinc/10/40/39/643104039.db2.gz WKBZWGYKSJJJSQ-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]Cc1cccc(F)c1 ZINC000035253838 176725989 /nfs/dbraw/zinc/72/59/89/176725989.db2.gz WKBZWGYKSJJJSQ-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1F ZINC000035253840 646126085 /nfs/dbraw/zinc/12/60/85/646126085.db2.gz KACNVGKXQSFPOO-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1F ZINC000035253842 646126410 /nfs/dbraw/zinc/12/64/10/646126410.db2.gz KACNVGKXQSFPOO-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(F)cc1 ZINC000035253909 646126789 /nfs/dbraw/zinc/12/67/89/646126789.db2.gz IJMQUOLAMWVZON-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(F)cc1 ZINC000035253911 641323267 /nfs/dbraw/zinc/32/32/67/641323267.db2.gz IJMQUOLAMWVZON-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CC1CCCCC1 ZINC000035254089 387562071 /nfs/dbraw/zinc/56/20/71/387562071.db2.gz PBIJVBVAPZTAKE-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CC1CCCCC1 ZINC000035254090 387562041 /nfs/dbraw/zinc/56/20/41/387562041.db2.gz PBIJVBVAPZTAKE-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)Cc1cccs1 ZINC000035254092 262841552 /nfs/dbraw/zinc/84/15/52/262841552.db2.gz VYXYZHASIAATCL-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)Cc1cccs1 ZINC000035254094 262841547 /nfs/dbraw/zinc/84/15/47/262841547.db2.gz VYXYZHASIAATCL-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccsc1 ZINC000035254102 342886594 /nfs/dbraw/zinc/88/65/94/342886594.db2.gz NJWOTRSOBXGAPL-JTQLQIEISA-N 1 0 237.393 3.530 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccsc1 ZINC000035254104 342886567 /nfs/dbraw/zinc/88/65/67/342886567.db2.gz NJWOTRSOBXGAPL-SNVBAGLBSA-N 1 0 237.393 3.530 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC=CCC1 ZINC000035254131 175775610 /nfs/dbraw/zinc/77/56/10/175775610.db2.gz IEXTVNCJCWERLH-STQMWFEESA-N 1 0 235.396 3.625 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC=CCC1 ZINC000035254132 646126529 /nfs/dbraw/zinc/12/65/29/646126529.db2.gz IEXTVNCJCWERLH-OLZOCXBDSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035254134 643104604 /nfs/dbraw/zinc/10/46/04/643104604.db2.gz IEXTVNCJCWERLH-QWHCGFSZSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035254136 646126673 /nfs/dbraw/zinc/12/66/73/646126673.db2.gz IEXTVNCJCWERLH-CHWSQXEVSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]Cc1cccs1 ZINC000035254156 342886454 /nfs/dbraw/zinc/88/64/54/342886454.db2.gz DOULUOGEVLTTBN-JTQLQIEISA-N 1 0 237.393 3.530 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]Cc1cccs1 ZINC000035254157 342886566 /nfs/dbraw/zinc/88/65/66/342886566.db2.gz DOULUOGEVLTTBN-SNVBAGLBSA-N 1 0 237.393 3.530 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CCc1ccccc1 ZINC000035254163 410010640 /nfs/dbraw/zinc/01/06/40/410010640.db2.gz LWDYLBVGWFNPMN-ZDUSSCGKSA-N 1 0 245.391 3.511 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CCc1ccccc1 ZINC000035254165 410011344 /nfs/dbraw/zinc/01/13/44/410011344.db2.gz LWDYLBVGWFNPMN-CYBMUJFWSA-N 1 0 245.391 3.511 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000035254233 387562019 /nfs/dbraw/zinc/56/20/19/387562019.db2.gz NXBNLHYUWDZRTD-AGIUHOORSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000035254235 262841245 /nfs/dbraw/zinc/84/12/45/262841245.db2.gz NXBNLHYUWDZRTD-FRRDWIJNSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1CCCCC1 ZINC000035254284 262841496 /nfs/dbraw/zinc/84/14/96/262841496.db2.gz WZHVVTYPHDNRKY-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1CCCCC1 ZINC000035254286 384407733 /nfs/dbraw/zinc/40/77/33/384407733.db2.gz WZHVVTYPHDNRKY-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1CCCCCC1 ZINC000035254291 387562692 /nfs/dbraw/zinc/56/26/92/387562692.db2.gz MTCPPTUBSIMPTA-LBPRGKRZSA-N 1 0 237.412 3.992 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1CCCCCC1 ZINC000035254292 387561948 /nfs/dbraw/zinc/56/19/48/387561948.db2.gz MTCPPTUBSIMPTA-GFCCVEGCSA-N 1 0 237.412 3.992 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1 ZINC000035254316 711841869 /nfs/dbraw/zinc/84/18/69/711841869.db2.gz MAMPWTDQLFXFGG-ZDUSSCGKSA-N 1 0 243.350 3.563 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1 ZINC000035254318 646132865 /nfs/dbraw/zinc/13/28/65/646132865.db2.gz MAMPWTDQLFXFGG-CYBMUJFWSA-N 1 0 243.350 3.563 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1 ZINC000035254384 711842007 /nfs/dbraw/zinc/84/20/07/711842007.db2.gz MCWGAECLVNTFTA-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1 ZINC000035254385 711841950 /nfs/dbraw/zinc/84/19/50/711841950.db2.gz MCWGAECLVNTFTA-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccco2)c(C)c1 ZINC000035254481 711478441 /nfs/dbraw/zinc/47/84/41/711478441.db2.gz ITGNECMJHKFTPJ-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1C ZINC000035254524 711478461 /nfs/dbraw/zinc/47/84/61/711478461.db2.gz OUKOYDUZKUGNSP-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035254626 711478511 /nfs/dbraw/zinc/47/85/11/711478511.db2.gz DJLVJWHZLWSFNZ-KGLIPLIRSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035254627 646134862 /nfs/dbraw/zinc/13/48/62/646134862.db2.gz DJLVJWHZLWSFNZ-ZIAGYGMSSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1ccco1)c1ccccc1 ZINC000035254629 646134135 /nfs/dbraw/zinc/13/41/35/646134135.db2.gz DJLVJWHZLWSFNZ-KBPBESRZSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@H](C)c1ccccc1 ZINC000035254631 646133304 /nfs/dbraw/zinc/13/33/04/646133304.db2.gz DJLVJWHZLWSFNZ-UONOGXRCSA-N 1 0 243.350 3.604 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC000035254801 646133138 /nfs/dbraw/zinc/13/31/38/646133138.db2.gz AMKANAPWBDVDSO-HSBZDZAISA-N 1 0 235.371 3.769 20 0 BHADRO CCC1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000035254803 646134724 /nfs/dbraw/zinc/13/47/24/646134724.db2.gz AMKANAPWBDVDSO-IYXRBSQSSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1CCCCCCC1 ZINC000035254809 646134814 /nfs/dbraw/zinc/13/48/14/646134814.db2.gz WQXMBQHJJQJQAC-ZDUSSCGKSA-N 1 0 235.371 3.913 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1CCCCCCC1 ZINC000035254811 646133892 /nfs/dbraw/zinc/13/38/92/646133892.db2.gz WQXMBQHJJQJQAC-CYBMUJFWSA-N 1 0 235.371 3.913 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1CCCCCC1 ZINC000035254819 646134050 /nfs/dbraw/zinc/13/40/50/646134050.db2.gz KEDBZAGOIAOFSJ-LBPRGKRZSA-N 1 0 221.344 3.523 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1CCCCCC1 ZINC000035254820 646133246 /nfs/dbraw/zinc/13/32/46/646133246.db2.gz KEDBZAGOIAOFSJ-GFCCVEGCSA-N 1 0 221.344 3.523 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(F)c2)cc1C ZINC000035254849 646132910 /nfs/dbraw/zinc/13/29/10/646132910.db2.gz CJBNSHPTMGNSBA-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000035256667 387562294 /nfs/dbraw/zinc/56/22/94/387562294.db2.gz OQTANJOUCFIVCV-NSHDSACASA-N 1 0 249.354 3.502 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000035256668 387562690 /nfs/dbraw/zinc/56/26/90/387562690.db2.gz OQTANJOUCFIVCV-LLVKDONJSA-N 1 0 249.354 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1 ZINC000035256723 262841263 /nfs/dbraw/zinc/84/12/63/262841263.db2.gz UYBUCUPOADPHEM-ZBFHGGJFSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1 ZINC000035256724 387562606 /nfs/dbraw/zinc/56/26/06/387562606.db2.gz UYBUCUPOADPHEM-HOCLYGCPSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC000035256725 262841492 /nfs/dbraw/zinc/84/14/92/262841492.db2.gz UYBUCUPOADPHEM-GDBMZVCRSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC000035256726 387562075 /nfs/dbraw/zinc/56/20/75/387562075.db2.gz UYBUCUPOADPHEM-GOEBONIOSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)cc1 ZINC000035256755 387562515 /nfs/dbraw/zinc/56/25/15/387562515.db2.gz KOJKZLAROXBAAY-ZBFHGGJFSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)cc1 ZINC000035256756 262841200 /nfs/dbraw/zinc/84/12/00/262841200.db2.gz KOJKZLAROXBAAY-HOCLYGCPSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC000035256757 262841538 /nfs/dbraw/zinc/84/15/38/262841538.db2.gz KOJKZLAROXBAAY-GDBMZVCRSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC000035256758 387562383 /nfs/dbraw/zinc/56/23/83/387562383.db2.gz KOJKZLAROXBAAY-GOEBONIOSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000035256775 387562185 /nfs/dbraw/zinc/56/21/85/387562185.db2.gz BOJNZVHXARSXJT-HIFRSBDPSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000035256776 262841122 /nfs/dbraw/zinc/84/11/22/262841122.db2.gz BOJNZVHXARSXJT-ZFWWWQNUSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000035256777 387562504 /nfs/dbraw/zinc/56/25/04/387562504.db2.gz BOJNZVHXARSXJT-UKRRQHHQSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000035256778 387562682 /nfs/dbraw/zinc/56/26/82/387562682.db2.gz BOJNZVHXARSXJT-DZGCQCFKSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000035256815 387540901 /nfs/dbraw/zinc/54/09/01/387540901.db2.gz TWWVFAKDWNLWLX-CABCVRRESA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000035256816 262841489 /nfs/dbraw/zinc/84/14/89/262841489.db2.gz TWWVFAKDWNLWLX-GJZGRUSLSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000035256817 387542053 /nfs/dbraw/zinc/54/20/53/387542053.db2.gz TWWVFAKDWNLWLX-HUUCEWRRSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000035256818 262841373 /nfs/dbraw/zinc/84/13/73/262841373.db2.gz TWWVFAKDWNLWLX-LSDHHAIUSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000035256883 387562642 /nfs/dbraw/zinc/56/26/42/387562642.db2.gz LVBOYUFSCRPXLY-HIFRSBDPSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000035256884 387562571 /nfs/dbraw/zinc/56/25/71/387562571.db2.gz LVBOYUFSCRPXLY-ZFWWWQNUSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000035256885 262841479 /nfs/dbraw/zinc/84/14/79/262841479.db2.gz LVBOYUFSCRPXLY-UKRRQHHQSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000035256886 262841527 /nfs/dbraw/zinc/84/15/27/262841527.db2.gz LVBOYUFSCRPXLY-DZGCQCFKSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000035256887 262841504 /nfs/dbraw/zinc/84/15/04/262841504.db2.gz CDORKMKLPSJYGL-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000035256888 387561897 /nfs/dbraw/zinc/56/18/97/387561897.db2.gz CDORKMKLPSJYGL-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000035256889 387561676 /nfs/dbraw/zinc/56/16/76/387561676.db2.gz CDORKMKLPSJYGL-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000035256890 387562436 /nfs/dbraw/zinc/56/24/36/387562436.db2.gz CDORKMKLPSJYGL-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000035256995 387562679 /nfs/dbraw/zinc/56/26/79/387562679.db2.gz QWVVGCVMMXNUJT-OCCSQVGLSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000035256996 387561960 /nfs/dbraw/zinc/56/19/60/387561960.db2.gz QWVVGCVMMXNUJT-JSGCOSHPSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000035256997 387561612 /nfs/dbraw/zinc/56/16/12/387561612.db2.gz QWVVGCVMMXNUJT-TZMCWYRMSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000035256998 387562387 /nfs/dbraw/zinc/56/23/87/387562387.db2.gz QWVVGCVMMXNUJT-GXTWGEPZSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000035257003 262841466 /nfs/dbraw/zinc/84/14/66/262841466.db2.gz PPATYYSFPDHBCQ-ZNMIVQPWSA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000035257005 387561959 /nfs/dbraw/zinc/56/19/59/387561959.db2.gz PPATYYSFPDHBCQ-RRFJBIMHSA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000035257027 384406171 /nfs/dbraw/zinc/40/61/71/384406171.db2.gz GFJRKAXGRXCHJO-YPMHNXCESA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000035257028 384407885 /nfs/dbraw/zinc/40/78/85/384407885.db2.gz GFJRKAXGRXCHJO-AAEUAGOBSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000035257029 384406777 /nfs/dbraw/zinc/40/67/77/384406777.db2.gz GFJRKAXGRXCHJO-DGCLKSJQSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000035257030 384407316 /nfs/dbraw/zinc/40/73/16/384407316.db2.gz GFJRKAXGRXCHJO-WCQYABFASA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000035257075 384406095 /nfs/dbraw/zinc/40/60/95/384406095.db2.gz VBRZBQSYMFRWEV-OLZOCXBDSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000035257076 384408115 /nfs/dbraw/zinc/40/81/15/384408115.db2.gz VBRZBQSYMFRWEV-STQMWFEESA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035257077 384407474 /nfs/dbraw/zinc/40/74/74/384407474.db2.gz VBRZBQSYMFRWEV-CHWSQXEVSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035257078 262841952 /nfs/dbraw/zinc/84/19/52/262841952.db2.gz VBRZBQSYMFRWEV-QWHCGFSZSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000035257099 358456642 /nfs/dbraw/zinc/45/66/42/358456642.db2.gz SXRBTXHPCQGRDL-YPMHNXCESA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000035257100 358456691 /nfs/dbraw/zinc/45/66/91/358456691.db2.gz SXRBTXHPCQGRDL-AAEUAGOBSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000035257101 346227380 /nfs/dbraw/zinc/22/73/80/346227380.db2.gz SXRBTXHPCQGRDL-DGCLKSJQSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000035257102 346227340 /nfs/dbraw/zinc/22/73/40/346227340.db2.gz SXRBTXHPCQGRDL-WCQYABFASA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(O)cc1 ZINC000035257251 410011229 /nfs/dbraw/zinc/01/12/29/410011229.db2.gz ICTSNZCEBISDMF-UHFFFAOYSA-N 1 0 235.371 3.697 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(O)c1 ZINC000035257261 359651970 /nfs/dbraw/zinc/65/19/70/359651970.db2.gz GBGCDHIHMACYNW-UHFFFAOYSA-N 1 0 235.371 3.697 20 0 BHADRO Cc1nc(C[NH2+]C(C)(C)CC(C)(C)C)cs1 ZINC000035257292 387562238 /nfs/dbraw/zinc/56/22/38/387562238.db2.gz WPPIUNWYCAWYNF-UHFFFAOYSA-N 1 0 240.416 3.756 20 0 BHADRO CSCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000035257313 262841953 /nfs/dbraw/zinc/84/19/53/262841953.db2.gz YSIBJGCCHSYHNX-UHFFFAOYSA-N 1 0 217.422 3.544 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC(C)C)C2CC2)cc1 ZINC000035257376 387562703 /nfs/dbraw/zinc/56/27/03/387562703.db2.gz YNKXDXDYKCSSGQ-HNNXBMFYSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC(C)C)C2CC2)cc1 ZINC000035257377 262841993 /nfs/dbraw/zinc/84/19/93/262841993.db2.gz YNKXDXDYKCSSGQ-OAHLLOKOSA-N 1 0 217.356 3.692 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000035257386 262841932 /nfs/dbraw/zinc/84/19/32/262841932.db2.gz BFEDFWQPHRIAKF-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000035257387 387562153 /nfs/dbraw/zinc/56/21/53/387562153.db2.gz BFEDFWQPHRIAKF-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257855 166865587 /nfs/dbraw/zinc/86/55/87/166865587.db2.gz DACABTCUDNNYFV-QWRGUYRKSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257859 166866688 /nfs/dbraw/zinc/86/66/88/166866688.db2.gz DACABTCUDNNYFV-MNOVXSKESA-N 1 0 237.309 3.743 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000035257945 180890198 /nfs/dbraw/zinc/89/01/98/180890198.db2.gz KXWHGSINYJBMCD-GXSJLCMTSA-N 1 0 235.293 3.640 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000035257946 646140133 /nfs/dbraw/zinc/14/01/33/646140133.db2.gz KXWHGSINYJBMCD-ONGXEEELSA-N 1 0 235.293 3.640 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000035257947 180889767 /nfs/dbraw/zinc/88/97/67/180889767.db2.gz KXWHGSINYJBMCD-MWLCHTKSSA-N 1 0 235.293 3.640 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000035257948 646140060 /nfs/dbraw/zinc/14/00/60/646140060.db2.gz KXWHGSINYJBMCD-KOLCDFICSA-N 1 0 235.293 3.640 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258236 357974234 /nfs/dbraw/zinc/97/42/34/357974234.db2.gz RQQLHQXCLUMQOA-WDEREUQCSA-N 1 0 237.309 3.743 20 0 BHADRO c1cc(-c2ccccc2)sc1C[NH2+]CC1CC1 ZINC000035258325 387562666 /nfs/dbraw/zinc/56/26/66/387562666.db2.gz ICPGVAGYDOTESR-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO FC(F)(F)C1CCC([NH2+]C2CCCC2)CC1 ZINC000035258453 180879053 /nfs/dbraw/zinc/87/90/53/180879053.db2.gz DUSLDTFYMRZKTH-UHFFFAOYSA-N 1 0 235.293 3.640 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1ccccc1 ZINC000035260875 179037331 /nfs/dbraw/zinc/03/73/31/179037331.db2.gz IANVWELCNAWWRB-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000035272856 262843261 /nfs/dbraw/zinc/84/32/61/262843261.db2.gz KUDWRKBFXZNKKR-ZDUSSCGKSA-N 1 0 221.344 3.536 20 0 BHADRO CCCC[NH2+][C@H](CC)c1ccccc1OC ZINC000035272859 262843388 /nfs/dbraw/zinc/84/33/88/262843388.db2.gz KUDWRKBFXZNKKR-CYBMUJFWSA-N 1 0 221.344 3.536 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC000035272868 358456811 /nfs/dbraw/zinc/45/68/11/358456811.db2.gz MZLANDHZOFMGJQ-AWEZNQCLSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC000035272871 398091634 /nfs/dbraw/zinc/09/16/34/398091634.db2.gz MZLANDHZOFMGJQ-CQSZACIVSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccccc1OC ZINC000035272924 171515645 /nfs/dbraw/zinc/51/56/45/171515645.db2.gz VEOHQCJRAAKJSJ-AWEZNQCLSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccccc1OC ZINC000035272927 170889827 /nfs/dbraw/zinc/88/98/27/170889827.db2.gz VEOHQCJRAAKJSJ-CQSZACIVSA-N 1 0 233.355 3.679 20 0 BHADRO C[NH+](C)Cc1cccc(NCC2CCCCC2)c1 ZINC000035275926 387565236 /nfs/dbraw/zinc/56/52/36/387565236.db2.gz HBZMDCWGQFJUKL-UHFFFAOYSA-N 1 0 246.398 3.740 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000035276124 641355957 /nfs/dbraw/zinc/35/59/57/641355957.db2.gz GPAJHNAGPPRBGB-RYUDHWBXSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000035276127 641356267 /nfs/dbraw/zinc/35/62/67/641356267.db2.gz GPAJHNAGPPRBGB-NEPJUHHUSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(F)cc1 ZINC000035276129 641355627 /nfs/dbraw/zinc/35/56/27/641355627.db2.gz GPAJHNAGPPRBGB-NWDGAFQWSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000035276132 641355449 /nfs/dbraw/zinc/35/54/49/641355449.db2.gz GPAJHNAGPPRBGB-VXGBXAGGSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1 ZINC000035276145 641355446 /nfs/dbraw/zinc/35/54/46/641355446.db2.gz GLQMDUOUVQLTCK-STQMWFEESA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1 ZINC000035276148 641355412 /nfs/dbraw/zinc/35/54/12/641355412.db2.gz GLQMDUOUVQLTCK-OLZOCXBDSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1 ZINC000035276149 641356215 /nfs/dbraw/zinc/35/62/15/641356215.db2.gz GLQMDUOUVQLTCK-QWHCGFSZSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccccc1 ZINC000035276152 641354712 /nfs/dbraw/zinc/35/47/12/641354712.db2.gz GLQMDUOUVQLTCK-CHWSQXEVSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)c1ccc(Cl)s1 ZINC000035285584 384405611 /nfs/dbraw/zinc/40/56/11/384405611.db2.gz RUCFQFQOZCMYPB-QMMMGPOBSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(Cl)s1 ZINC000035285585 342886901 /nfs/dbraw/zinc/88/69/01/342886901.db2.gz RUCFQFQOZCMYPB-MRVPVSSYSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc(Cl)s1 ZINC000035286415 384404449 /nfs/dbraw/zinc/40/44/49/384404449.db2.gz ARZUZRPNKHODKE-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc(Cl)s1 ZINC000035286416 384403760 /nfs/dbraw/zinc/40/37/60/384403760.db2.gz ARZUZRPNKHODKE-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO Cc1cc(C)c(C[NH+]2CCCCC2)c(C)c1 ZINC000035331562 368265234 /nfs/dbraw/zinc/26/52/34/368265234.db2.gz NHTOTMDCKATHIA-UHFFFAOYSA-N 1 0 217.356 3.598 20 0 BHADRO CCCCC[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035365593 358457964 /nfs/dbraw/zinc/45/79/64/358457964.db2.gz KNSNQNNRAWLVIP-UHFFFAOYSA-N 1 0 234.387 3.669 20 0 BHADRO C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035463592 387575660 /nfs/dbraw/zinc/57/56/60/387575660.db2.gz JVZMVAGRFQDUGN-AWEZNQCLSA-N 1 0 249.716 3.788 20 0 BHADRO C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035463594 173456884 /nfs/dbraw/zinc/45/68/84/173456884.db2.gz JVZMVAGRFQDUGN-CQSZACIVSA-N 1 0 249.716 3.788 20 0 BHADRO C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035465341 387575232 /nfs/dbraw/zinc/57/52/32/387575232.db2.gz XDHJQYZJWDEKQQ-AWEZNQCLSA-N 1 0 231.726 3.649 20 0 BHADRO C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035465344 387575080 /nfs/dbraw/zinc/57/50/80/387575080.db2.gz XDHJQYZJWDEKQQ-CQSZACIVSA-N 1 0 231.726 3.649 20 0 BHADRO CCCCCC[NH2+]C/C=C\c1ccccc1 ZINC000035534113 639656551 /nfs/dbraw/zinc/65/65/51/639656551.db2.gz UZNCNTIAWVOZPZ-XFXZXTDPSA-N 1 0 217.356 3.870 20 0 BHADRO Fc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035535578 387575940 /nfs/dbraw/zinc/57/59/40/387575940.db2.gz WXHXLHFJBLIGHW-DAXSKMNVSA-N 1 0 241.309 3.629 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C1CCCCC1 ZINC000035535673 166228799 /nfs/dbraw/zinc/22/87/99/166228799.db2.gz XSNNOGOAEQYKAL-YFHOEESVSA-N 1 0 215.340 3.622 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000035538128 170141883 /nfs/dbraw/zinc/14/18/83/170141883.db2.gz BQGCTJZADBFKJY-NSHDSACASA-N 1 0 229.323 3.519 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000035538131 170159287 /nfs/dbraw/zinc/15/92/87/170159287.db2.gz BQGCTJZADBFKJY-LLVKDONJSA-N 1 0 229.323 3.519 20 0 BHADRO CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000035539752 384411540 /nfs/dbraw/zinc/41/15/40/384411540.db2.gz SCPLIYNKZRHPOZ-LBPRGKRZSA-N 1 0 209.308 3.522 20 0 BHADRO CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000035539754 384412608 /nfs/dbraw/zinc/41/26/08/384412608.db2.gz SCPLIYNKZRHPOZ-GFCCVEGCSA-N 1 0 209.308 3.522 20 0 BHADRO Cc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035539900 387576519 /nfs/dbraw/zinc/57/65/19/387576519.db2.gz WHWMJICALPJXQI-YVMONPNESA-N 1 0 237.346 3.798 20 0 BHADRO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000035540000 170142596 /nfs/dbraw/zinc/14/25/96/170142596.db2.gz ALIMTCINJBGPMG-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000035540001 170160748 /nfs/dbraw/zinc/16/07/48/170160748.db2.gz ALIMTCINJBGPMG-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000035540096 262847113 /nfs/dbraw/zinc/84/71/13/262847113.db2.gz SNFWWKLCQBDJRT-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000035540097 387576765 /nfs/dbraw/zinc/57/67/65/387576765.db2.gz SNFWWKLCQBDJRT-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000035540385 384411121 /nfs/dbraw/zinc/41/11/21/384411121.db2.gz LVXRJQHXMQHHIQ-CYBMUJFWSA-N 1 0 223.747 3.791 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000035540386 262847220 /nfs/dbraw/zinc/84/72/20/262847220.db2.gz LVXRJQHXMQHHIQ-ZDUSSCGKSA-N 1 0 223.747 3.791 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000035540394 384411865 /nfs/dbraw/zinc/41/18/65/384411865.db2.gz PQGRRQXROONCDD-ZWKOPEQDSA-N 1 0 223.747 3.647 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000035540396 384412490 /nfs/dbraw/zinc/41/24/90/384412490.db2.gz PQGRRQXROONCDD-TVYUQYBPSA-N 1 0 223.747 3.647 20 0 BHADRO CCCCC[C@H]([NH2+]CC)c1ccccc1 ZINC000035540485 639668059 /nfs/dbraw/zinc/66/80/59/639668059.db2.gz FIZKQWOTSMEEDJ-AWEZNQCLSA-N 1 0 205.345 3.918 20 0 BHADRO CCCCC[C@@H]([NH2+]CC)c1ccccc1 ZINC000035540486 639667385 /nfs/dbraw/zinc/66/73/85/639667385.db2.gz FIZKQWOTSMEEDJ-CQSZACIVSA-N 1 0 205.345 3.918 20 0 BHADRO CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000035540577 170142516 /nfs/dbraw/zinc/14/25/16/170142516.db2.gz GXHKUZDHAQYVEM-ZDUSSCGKSA-N 1 0 205.345 3.773 20 0 BHADRO CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000035540578 170161242 /nfs/dbraw/zinc/16/12/42/170161242.db2.gz GXHKUZDHAQYVEM-CYBMUJFWSA-N 1 0 205.345 3.773 20 0 BHADRO CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000035540584 170145208 /nfs/dbraw/zinc/14/52/08/170145208.db2.gz IOKQIHQIFSNERD-KRWDZBQOSA-N 1 0 239.362 3.970 20 0 BHADRO CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000035540586 170162419 /nfs/dbraw/zinc/16/24/19/170162419.db2.gz IOKQIHQIFSNERD-QGZVFWFLSA-N 1 0 239.362 3.970 20 0 BHADRO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000035540598 170146511 /nfs/dbraw/zinc/14/65/11/170146511.db2.gz XENJXIQCKLIYBF-INIZCTEOSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000035540599 170162482 /nfs/dbraw/zinc/16/24/82/170162482.db2.gz XENJXIQCKLIYBF-MRXNPFEDSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000035540600 170148435 /nfs/dbraw/zinc/14/84/35/170148435.db2.gz RUXSSXMAJFMQEJ-HNNXBMFYSA-N 1 0 229.298 3.525 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000035540602 170165296 /nfs/dbraw/zinc/16/52/96/170165296.db2.gz RUXSSXMAJFMQEJ-OAHLLOKOSA-N 1 0 229.298 3.525 20 0 BHADRO CC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000035540628 170146799 /nfs/dbraw/zinc/14/67/99/170146799.db2.gz SEZDJWYCZCNZST-INIZCTEOSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000035540629 170163584 /nfs/dbraw/zinc/16/35/84/170163584.db2.gz SEZDJWYCZCNZST-MRXNPFEDSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000035540645 384413228 /nfs/dbraw/zinc/41/32/28/384413228.db2.gz BCHPABLOZHGSOG-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000035540646 384412953 /nfs/dbraw/zinc/41/29/53/384412953.db2.gz BCHPABLOZHGSOG-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CC[NH2+][C@H](c1ccccc1)C(CC)CC ZINC000035540678 384411074 /nfs/dbraw/zinc/41/10/74/384411074.db2.gz NPBISJUFTLDGDY-AWEZNQCLSA-N 1 0 205.345 3.773 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1)C(CC)CC ZINC000035540679 384412274 /nfs/dbraw/zinc/41/22/74/384412274.db2.gz NPBISJUFTLDGDY-CQSZACIVSA-N 1 0 205.345 3.773 20 0 BHADRO CCCC[C@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000035540738 169011411 /nfs/dbraw/zinc/01/14/11/169011411.db2.gz XMWMNSCGEIBYFF-AWEZNQCLSA-N 1 0 221.344 3.536 20 0 BHADRO CCCC[C@@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000035540739 168974134 /nfs/dbraw/zinc/97/41/34/168974134.db2.gz XMWMNSCGEIBYFF-CQSZACIVSA-N 1 0 221.344 3.536 20 0 BHADRO CC[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035540774 170144624 /nfs/dbraw/zinc/14/46/24/170144624.db2.gz LLEJQKNLRSBISF-HNNXBMFYSA-N 1 0 235.371 3.782 20 0 BHADRO CC[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035540775 170161385 /nfs/dbraw/zinc/16/13/85/170161385.db2.gz LLEJQKNLRSBISF-OAHLLOKOSA-N 1 0 235.371 3.782 20 0 BHADRO CC[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000035541146 262847493 /nfs/dbraw/zinc/84/74/93/262847493.db2.gz QYWXQDRDMYAGSY-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CC[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000035541147 387576851 /nfs/dbraw/zinc/57/68/51/387576851.db2.gz QYWXQDRDMYAGSY-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000035545657 384412002 /nfs/dbraw/zinc/41/20/02/384412002.db2.gz UTLUZASLSXONMC-GFCCVEGCSA-N 1 0 209.358 3.589 20 0 BHADRO CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000035545659 384412075 /nfs/dbraw/zinc/41/20/75/384412075.db2.gz UTLUZASLSXONMC-LBPRGKRZSA-N 1 0 209.358 3.589 20 0 BHADRO CC[NH2+][C@H](c1cccs1)C(CC)CC ZINC000035545700 384412195 /nfs/dbraw/zinc/41/21/95/384412195.db2.gz PHAILNQPUBQFNJ-LBPRGKRZSA-N 1 0 211.374 3.835 20 0 BHADRO CC[NH2+][C@@H](c1cccs1)C(CC)CC ZINC000035545702 262847445 /nfs/dbraw/zinc/84/74/45/262847445.db2.gz PHAILNQPUBQFNJ-GFCCVEGCSA-N 1 0 211.374 3.835 20 0 BHADRO CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035547324 387577791 /nfs/dbraw/zinc/57/77/91/387577791.db2.gz BDJSAYAFWGBIKR-LBPRGKRZSA-N 1 0 227.298 3.662 20 0 BHADRO CC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035547326 387576500 /nfs/dbraw/zinc/57/65/00/387576500.db2.gz BDJSAYAFWGBIKR-GFCCVEGCSA-N 1 0 227.298 3.662 20 0 BHADRO CC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000035555011 170143142 /nfs/dbraw/zinc/14/31/42/170143142.db2.gz PMRMQTYUWNYGPQ-VIFPVBQESA-N 1 0 205.326 3.572 20 0 BHADRO CC[NH2+][C@H](C)c1csc2ccccc12 ZINC000035555014 170160095 /nfs/dbraw/zinc/16/00/95/170160095.db2.gz PMRMQTYUWNYGPQ-SECBINFHSA-N 1 0 205.326 3.572 20 0 BHADRO CC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000035559360 170140707 /nfs/dbraw/zinc/14/07/07/170140707.db2.gz MKYXSRVARNSYBE-YFKPBYRVSA-N 1 0 224.156 3.725 20 0 BHADRO CC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000035559362 170159127 /nfs/dbraw/zinc/15/91/27/170159127.db2.gz MKYXSRVARNSYBE-RXMQYKEDSA-N 1 0 224.156 3.725 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000035573797 169276194 /nfs/dbraw/zinc/27/61/94/169276194.db2.gz SLAQQKLKRFVFLP-LBPRGKRZSA-N 1 0 243.350 3.909 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000035573799 169286968 /nfs/dbraw/zinc/28/69/68/169286968.db2.gz SLAQQKLKRFVFLP-GFCCVEGCSA-N 1 0 243.350 3.909 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000035574737 262846740 /nfs/dbraw/zinc/84/67/40/262846740.db2.gz PHYHQCJGPWNTPF-CYBMUJFWSA-N 1 0 209.308 3.522 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000035574739 384414424 /nfs/dbraw/zinc/41/44/24/384414424.db2.gz PHYHQCJGPWNTPF-ZDUSSCGKSA-N 1 0 209.308 3.522 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000035574745 169281036 /nfs/dbraw/zinc/28/10/36/169281036.db2.gz CIKLCAUHJSSAML-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000035574747 169289605 /nfs/dbraw/zinc/28/96/05/169289605.db2.gz CIKLCAUHJSSAML-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000035575029 169280272 /nfs/dbraw/zinc/28/02/72/169280272.db2.gz XVJVSNKOEHABSR-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000035575031 169289835 /nfs/dbraw/zinc/28/98/35/169289835.db2.gz XVJVSNKOEHABSR-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035575036 169278164 /nfs/dbraw/zinc/27/81/64/169278164.db2.gz YLCAPIXTOZLOKL-NSHDSACASA-N 1 0 249.251 3.819 20 0 BHADRO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035575038 169288584 /nfs/dbraw/zinc/28/85/84/169288584.db2.gz YLCAPIXTOZLOKL-LLVKDONJSA-N 1 0 249.251 3.819 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035575372 262846859 /nfs/dbraw/zinc/84/68/59/262846859.db2.gz XUJQERHEYAADFP-CYBMUJFWSA-N 1 0 223.747 3.791 20 0 BHADRO CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035575373 384415828 /nfs/dbraw/zinc/41/58/28/384415828.db2.gz XUJQERHEYAADFP-ZDUSSCGKSA-N 1 0 223.747 3.791 20 0 BHADRO CCCC[C@H]([NH2+]CCC)c1ccccc1 ZINC000035575685 385000688 /nfs/dbraw/zinc/00/06/88/385000688.db2.gz RVYHYIYMMSSJTR-AWEZNQCLSA-N 1 0 205.345 3.918 20 0 BHADRO CCCC[C@@H]([NH2+]CCC)c1ccccc1 ZINC000035575688 384998309 /nfs/dbraw/zinc/99/83/09/384998309.db2.gz RVYHYIYMMSSJTR-CQSZACIVSA-N 1 0 205.345 3.918 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000035575704 169280694 /nfs/dbraw/zinc/28/06/94/169280694.db2.gz PQVKNYASWWHSHM-ZDUSSCGKSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000035575708 169290508 /nfs/dbraw/zinc/29/05/08/169290508.db2.gz PQVKNYASWWHSHM-CYBMUJFWSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000035576112 387576080 /nfs/dbraw/zinc/57/60/80/387576080.db2.gz VQBZSJZRUARKFE-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000035576115 387575753 /nfs/dbraw/zinc/57/57/53/387575753.db2.gz VQBZSJZRUARKFE-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000035576119 262846852 /nfs/dbraw/zinc/84/68/52/262846852.db2.gz GKBPGYKGONZBEI-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000035576122 262846848 /nfs/dbraw/zinc/84/68/48/262846848.db2.gz GKBPGYKGONZBEI-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000035576129 169278149 /nfs/dbraw/zinc/27/81/49/169278149.db2.gz SAOBSWXGGPYQIH-NSHDSACASA-N 1 0 231.261 3.680 20 0 BHADRO CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000035576132 169288137 /nfs/dbraw/zinc/28/81/37/169288137.db2.gz SAOBSWXGGPYQIH-LLVKDONJSA-N 1 0 231.261 3.680 20 0 BHADRO CCCC[C@H]([NH2+]CCC)c1ccc(OC)cc1 ZINC000035576324 387574420 /nfs/dbraw/zinc/57/44/20/387574420.db2.gz WIDOFOMWMDYVHP-HNNXBMFYSA-N 1 0 235.371 3.926 20 0 BHADRO CCCC[C@@H]([NH2+]CCC)c1ccc(OC)cc1 ZINC000035576327 387576053 /nfs/dbraw/zinc/57/60/53/387576053.db2.gz WIDOFOMWMDYVHP-OAHLLOKOSA-N 1 0 235.371 3.926 20 0 BHADRO CCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000035576349 169277970 /nfs/dbraw/zinc/27/79/70/169277970.db2.gz FIMHJDNNBNMEFE-AWEZNQCLSA-N 1 0 221.344 3.536 20 0 BHADRO CCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000035576351 169289457 /nfs/dbraw/zinc/28/94/57/169289457.db2.gz FIMHJDNNBNMEFE-CQSZACIVSA-N 1 0 221.344 3.536 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000035577345 387575912 /nfs/dbraw/zinc/57/59/12/387575912.db2.gz SYFXRFOJZMWEMD-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000035577348 387575343 /nfs/dbraw/zinc/57/53/43/387575343.db2.gz SYFXRFOJZMWEMD-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000035580111 387574316 /nfs/dbraw/zinc/57/43/16/387574316.db2.gz ADTZDHYNYLYCMH-CYBMUJFWSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000035580113 387575279 /nfs/dbraw/zinc/57/52/79/387575279.db2.gz ADTZDHYNYLYCMH-ZDUSSCGKSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000035581265 384415201 /nfs/dbraw/zinc/41/52/01/384415201.db2.gz CEKQXYOKGCRMFG-NSHDSACASA-N 1 0 211.374 3.835 20 0 BHADRO CCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000035581266 384415463 /nfs/dbraw/zinc/41/54/63/384415463.db2.gz CEKQXYOKGCRMFG-LLVKDONJSA-N 1 0 211.374 3.835 20 0 BHADRO CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000035581309 384414083 /nfs/dbraw/zinc/41/40/83/384414083.db2.gz FIUIBNNNLLEWKH-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000035581310 384415737 /nfs/dbraw/zinc/41/57/37/384415737.db2.gz FIUIBNNNLLEWKH-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000035581914 387574635 /nfs/dbraw/zinc/57/46/35/387574635.db2.gz NTAAREADYIUTIN-CYBMUJFWSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000035581915 387575475 /nfs/dbraw/zinc/57/54/75/387575475.db2.gz NTAAREADYIUTIN-ZDUSSCGKSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000035581916 169278195 /nfs/dbraw/zinc/27/81/95/169278195.db2.gz IDJHOQJDTHSHIJ-ZDUSSCGKSA-N 1 0 227.298 3.806 20 0 BHADRO CCC[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000035581917 169288887 /nfs/dbraw/zinc/28/88/87/169288887.db2.gz IDJHOQJDTHSHIJ-CYBMUJFWSA-N 1 0 227.298 3.806 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000035582388 387575831 /nfs/dbraw/zinc/57/58/31/387575831.db2.gz LOCZHEBGEUVQAR-CYBMUJFWSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000035582389 387575351 /nfs/dbraw/zinc/57/53/51/387575351.db2.gz LOCZHEBGEUVQAR-ZDUSSCGKSA-N 1 0 227.298 3.662 20 0 BHADRO CCC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000035583528 384411287 /nfs/dbraw/zinc/41/12/87/384411287.db2.gz MTOQEFSFFABTDT-QMMMGPOBSA-N 1 0 217.765 3.852 20 0 BHADRO CCC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000035583529 384411732 /nfs/dbraw/zinc/41/17/32/384411732.db2.gz MTOQEFSFFABTDT-MRVPVSSYSA-N 1 0 217.765 3.852 20 0 BHADRO CCC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000035584002 639715422 /nfs/dbraw/zinc/71/54/22/639715422.db2.gz CKFHRXBNRXXZOE-JTQLQIEISA-N 1 0 219.353 3.962 20 0 BHADRO CCC[NH2+][C@H](C)c1csc2ccccc12 ZINC000035584003 639717521 /nfs/dbraw/zinc/71/75/21/639717521.db2.gz CKFHRXBNRXXZOE-SNVBAGLBSA-N 1 0 219.353 3.962 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000035601206 171296275 /nfs/dbraw/zinc/29/62/75/171296275.db2.gz RKVNZNZVULFNSN-IMJJTQAJSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000035601208 171299645 /nfs/dbraw/zinc/29/96/45/171299645.db2.gz RKVNZNZVULFNSN-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000035624733 342753507 /nfs/dbraw/zinc/75/35/07/342753507.db2.gz XUQVHCLROVKYMR-JTQLQIEISA-N 1 0 218.127 3.664 20 0 BHADRO CC[C@@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000035624735 384086576 /nfs/dbraw/zinc/08/65/76/384086576.db2.gz XUQVHCLROVKYMR-SNVBAGLBSA-N 1 0 218.127 3.664 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000035629930 169275869 /nfs/dbraw/zinc/27/58/69/169275869.db2.gz GJRYRNRYSCUCJG-JTQLQIEISA-N 1 0 243.297 3.657 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000035629932 169287126 /nfs/dbraw/zinc/28/71/26/169287126.db2.gz GJRYRNRYSCUCJG-SNVBAGLBSA-N 1 0 243.297 3.657 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000035647636 357997602 /nfs/dbraw/zinc/99/76/02/357997602.db2.gz DXXMZTUVZOHHMR-ZDUSSCGKSA-N 1 0 247.382 3.549 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000035647638 187258022 /nfs/dbraw/zinc/25/80/22/187258022.db2.gz DXXMZTUVZOHHMR-CYBMUJFWSA-N 1 0 247.382 3.549 20 0 BHADRO CCCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000035648109 639793774 /nfs/dbraw/zinc/79/37/74/639793774.db2.gz QXTQXYCELKNBAD-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000035648111 168669243 /nfs/dbraw/zinc/66/92/43/168669243.db2.gz QXTQXYCELKNBAD-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000035648357 175116942 /nfs/dbraw/zinc/11/69/42/175116942.db2.gz PIZDIXPNVQALKU-KGLIPLIRSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000035648359 188111350 /nfs/dbraw/zinc/11/13/50/188111350.db2.gz PIZDIXPNVQALKU-KBPBESRZSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000035648361 175115714 /nfs/dbraw/zinc/11/57/14/175115714.db2.gz PIZDIXPNVQALKU-ZIAGYGMSSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000035648363 175115691 /nfs/dbraw/zinc/11/56/91/175115691.db2.gz PIZDIXPNVQALKU-UONOGXRCSA-N 1 0 249.398 3.650 20 0 BHADRO CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000035652614 169281747 /nfs/dbraw/zinc/28/17/47/169281747.db2.gz FFNAGLWAQOAKBB-GFCCVEGCSA-N 1 0 239.746 3.553 20 0 BHADRO CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000035652615 169290469 /nfs/dbraw/zinc/29/04/69/169290469.db2.gz FFNAGLWAQOAKBB-LBPRGKRZSA-N 1 0 239.746 3.553 20 0 BHADRO CC(C)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000035652810 167135511 /nfs/dbraw/zinc/13/55/11/167135511.db2.gz VQOSJFMFHZZMDJ-GFCCVEGCSA-N 1 0 239.746 3.552 20 0 BHADRO CC(C)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000035652811 167140299 /nfs/dbraw/zinc/14/02/99/167140299.db2.gz VQOSJFMFHZZMDJ-LBPRGKRZSA-N 1 0 239.746 3.552 20 0 BHADRO CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000035652812 169282262 /nfs/dbraw/zinc/28/22/62/169282262.db2.gz LKIPMOPBFLUUQH-GFCCVEGCSA-N 1 0 239.746 3.553 20 0 BHADRO CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000035652813 169290823 /nfs/dbraw/zinc/29/08/23/169290823.db2.gz LKIPMOPBFLUUQH-LBPRGKRZSA-N 1 0 239.746 3.553 20 0 BHADRO CCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000035653485 169281807 /nfs/dbraw/zinc/28/18/07/169281807.db2.gz WVFGOFAMHLSTML-CQSZACIVSA-N 1 0 233.355 3.517 20 0 BHADRO CCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000035653487 169291170 /nfs/dbraw/zinc/29/11/70/169291170.db2.gz WVFGOFAMHLSTML-AWEZNQCLSA-N 1 0 233.355 3.517 20 0 BHADRO CC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000035654552 170150687 /nfs/dbraw/zinc/15/06/87/170150687.db2.gz NFVJKKDHTUVWSG-CQSZACIVSA-N 1 0 233.355 3.633 20 0 BHADRO CC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000035654554 170166746 /nfs/dbraw/zinc/16/67/46/170166746.db2.gz NFVJKKDHTUVWSG-AWEZNQCLSA-N 1 0 233.355 3.633 20 0 BHADRO CC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000035654768 170150984 /nfs/dbraw/zinc/15/09/84/170150984.db2.gz GQOBQBWYLCVUTH-CQSZACIVSA-N 1 0 233.355 3.633 20 0 BHADRO CC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000035654770 170167239 /nfs/dbraw/zinc/16/72/39/170167239.db2.gz GQOBQBWYLCVUTH-AWEZNQCLSA-N 1 0 233.355 3.633 20 0 BHADRO CCC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000035654995 169282493 /nfs/dbraw/zinc/28/24/93/169282493.db2.gz WEGKMUCJENQCFV-CQSZACIVSA-N 1 0 233.355 3.517 20 0 BHADRO CCC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000035654997 169290518 /nfs/dbraw/zinc/29/05/18/169290518.db2.gz WEGKMUCJENQCFV-AWEZNQCLSA-N 1 0 233.355 3.517 20 0 BHADRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000035657817 176831849 /nfs/dbraw/zinc/83/18/49/176831849.db2.gz SALSDLZFHWHDSF-ZDUSSCGKSA-N 1 0 237.346 3.505 20 0 BHADRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000035657818 387136578 /nfs/dbraw/zinc/13/65/78/387136578.db2.gz SALSDLZFHWHDSF-CYBMUJFWSA-N 1 0 237.346 3.505 20 0 BHADRO c1ccc2c(c1)CC([NH2+]CCC1=CCCCC1)C2 ZINC000035657961 387577377 /nfs/dbraw/zinc/57/73/77/387577377.db2.gz XQHDTVOEHMAZIL-UHFFFAOYSA-N 1 0 241.378 3.634 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000035657986 387577362 /nfs/dbraw/zinc/57/73/62/387577362.db2.gz HMDQNTUWMSDEFR-CYBMUJFWSA-N 1 0 231.383 3.568 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000035657987 359657795 /nfs/dbraw/zinc/65/77/95/359657795.db2.gz HMDQNTUWMSDEFR-ZDUSSCGKSA-N 1 0 231.383 3.568 20 0 BHADRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccs1 ZINC000035658063 383866861 /nfs/dbraw/zinc/86/68/61/383866861.db2.gz AWNIRMZMOMWYSD-NSHDSACASA-N 1 0 243.375 3.566 20 0 BHADRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccs1 ZINC000035658064 383864747 /nfs/dbraw/zinc/86/47/47/383864747.db2.gz AWNIRMZMOMWYSD-LLVKDONJSA-N 1 0 243.375 3.566 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1ccco1 ZINC000035661455 639810928 /nfs/dbraw/zinc/81/09/28/639810928.db2.gz QGOOVKOTLKSWPP-CYBMUJFWSA-N 1 0 223.360 3.771 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1ccco1 ZINC000035661456 639811097 /nfs/dbraw/zinc/81/10/97/639811097.db2.gz QGOOVKOTLKSWPP-ZDUSSCGKSA-N 1 0 223.360 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccco2)c(C)s1 ZINC000035661481 178227042 /nfs/dbraw/zinc/22/70/42/178227042.db2.gz WYMNUVKICURKKI-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccco2)c(C)s1 ZINC000035661482 178248763 /nfs/dbraw/zinc/24/87/63/178248763.db2.gz WYMNUVKICURKKI-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1cccs1 ZINC000035661502 517824680 /nfs/dbraw/zinc/82/46/80/517824680.db2.gz MQBVGUDYFHZSEP-LBPRGKRZSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1cccs1 ZINC000035661503 262848180 /nfs/dbraw/zinc/84/81/80/262848180.db2.gz MQBVGUDYFHZSEP-GFCCVEGCSA-N 1 0 235.352 3.625 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000035661533 358457817 /nfs/dbraw/zinc/45/78/17/358457817.db2.gz WFEVPOZOYYGDSU-INIZCTEOSA-N 1 0 243.350 3.953 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000035661534 387553460 /nfs/dbraw/zinc/55/34/60/387553460.db2.gz WFEVPOZOYYGDSU-MRXNPFEDSA-N 1 0 243.350 3.953 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)s1 ZINC000035661545 387552069 /nfs/dbraw/zinc/55/20/69/387552069.db2.gz XDAIXAQYFFVIQX-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)s1 ZINC000035661546 387552680 /nfs/dbraw/zinc/55/26/80/387552680.db2.gz XDAIXAQYFFVIQX-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccco1 ZINC000035661551 322901212 /nfs/dbraw/zinc/90/12/12/322901212.db2.gz QVHCQZQDAJINQH-CHWSQXEVSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccco1 ZINC000035661552 387579621 /nfs/dbraw/zinc/57/96/21/387579621.db2.gz QVHCQZQDAJINQH-QWHCGFSZSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccco1 ZINC000035661553 387578911 /nfs/dbraw/zinc/57/89/11/387578911.db2.gz QVHCQZQDAJINQH-OLZOCXBDSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccco1 ZINC000035661554 387579831 /nfs/dbraw/zinc/57/98/31/387579831.db2.gz QVHCQZQDAJINQH-STQMWFEESA-N 1 0 223.360 3.627 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1 ZINC000035661555 171830187 /nfs/dbraw/zinc/83/01/87/171830187.db2.gz ISPLMAGIRCKDFL-CYBMUJFWSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1 ZINC000035661556 387579519 /nfs/dbraw/zinc/57/95/19/387579519.db2.gz ISPLMAGIRCKDFL-ZDUSSCGKSA-N 1 0 243.350 3.735 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1C ZINC000035661561 387579264 /nfs/dbraw/zinc/57/92/64/387579264.db2.gz UWTSETZCCPLFPW-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1C ZINC000035661562 178889933 /nfs/dbraw/zinc/88/99/33/178889933.db2.gz UWTSETZCCPLFPW-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)c1cccc(Cl)c1 ZINC000035661575 387579076 /nfs/dbraw/zinc/57/90/76/387579076.db2.gz GSAIUZYABXNWKX-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)c1cccc(Cl)c1 ZINC000035661576 175884846 /nfs/dbraw/zinc/88/48/46/175884846.db2.gz GSAIUZYABXNWKX-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1ccc(C)cc1 ZINC000035661614 358457930 /nfs/dbraw/zinc/45/79/30/358457930.db2.gz KDJMSBCWQVGDML-INIZCTEOSA-N 1 0 243.350 3.871 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1ccc(C)cc1 ZINC000035661615 387553091 /nfs/dbraw/zinc/55/30/91/387553091.db2.gz KDJMSBCWQVGDML-MRXNPFEDSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCc2ccco2)c1 ZINC000035661627 178494151 /nfs/dbraw/zinc/49/41/51/178494151.db2.gz KVHKOQPCXGZHTI-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCc2ccco2)c1 ZINC000035661628 178499238 /nfs/dbraw/zinc/49/92/38/178499238.db2.gz KVHKOQPCXGZHTI-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)c(C)c1 ZINC000035661633 387579887 /nfs/dbraw/zinc/57/98/87/387579887.db2.gz JRIRWTMYKAPTMI-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)c(C)c1 ZINC000035661634 178889866 /nfs/dbraw/zinc/88/98/66/178889866.db2.gz JRIRWTMYKAPTMI-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1ccc(F)cc1 ZINC000035661669 358457592 /nfs/dbraw/zinc/45/75/92/358457592.db2.gz LOLRUORMGQTVQJ-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1ccc(F)cc1 ZINC000035661670 170896492 /nfs/dbraw/zinc/89/64/92/170896492.db2.gz LOLRUORMGQTVQJ-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1 ZINC000035661735 387579559 /nfs/dbraw/zinc/57/95/59/387579559.db2.gz OOWHKSLMHGHAFB-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1 ZINC000035661736 387578529 /nfs/dbraw/zinc/57/85/29/387578529.db2.gz OOWHKSLMHGHAFB-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000035661741 358457489 /nfs/dbraw/zinc/45/74/89/358457489.db2.gz VQMVFPDOYKFGGJ-HNNXBMFYSA-N 1 0 229.323 3.563 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000035661742 387553592 /nfs/dbraw/zinc/55/35/92/387553592.db2.gz VQMVFPDOYKFGGJ-OAHLLOKOSA-N 1 0 229.323 3.563 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2cccnc2)s1 ZINC000035692104 383869912 /nfs/dbraw/zinc/86/99/12/383869912.db2.gz VJAWUCDTLFDODW-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2cccnc2)s1 ZINC000035692105 383870218 /nfs/dbraw/zinc/87/02/18/383870218.db2.gz VJAWUCDTLFDODW-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccncc2)s1 ZINC000035693415 383870581 /nfs/dbraw/zinc/87/05/81/383870581.db2.gz RSYYZFSRGUYNTN-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccncc2)s1 ZINC000035693417 383868274 /nfs/dbraw/zinc/86/82/74/383868274.db2.gz RSYYZFSRGUYNTN-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccccn2)s1 ZINC000035694785 383869592 /nfs/dbraw/zinc/86/95/92/383869592.db2.gz QEHCIJWJRUQTLM-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccccn2)s1 ZINC000035694787 383870434 /nfs/dbraw/zinc/87/04/34/383870434.db2.gz QEHCIJWJRUQTLM-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)s1 ZINC000035732747 342892383 /nfs/dbraw/zinc/89/23/83/342892383.db2.gz PWRSNTKQRYIPRE-YUMQZZPRSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)s1 ZINC000035732748 342892387 /nfs/dbraw/zinc/89/23/87/342892387.db2.gz PWRSNTKQRYIPRE-JGVFFNPUSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC000035732749 342892245 /nfs/dbraw/zinc/89/22/45/342892245.db2.gz PWRSNTKQRYIPRE-SFYZADRCSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)s1 ZINC000035732750 342892395 /nfs/dbraw/zinc/89/23/95/342892395.db2.gz PWRSNTKQRYIPRE-HTQZYQBOSA-N 1 0 229.776 3.851 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)c(C)s1 ZINC000035732881 178229854 /nfs/dbraw/zinc/22/98/54/178229854.db2.gz ITVPOUGXOZFDET-VHSXEESVSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)c(C)s1 ZINC000035732882 178251787 /nfs/dbraw/zinc/25/17/87/178251787.db2.gz ITVPOUGXOZFDET-UWVGGRQHSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)c(C)s1 ZINC000035732883 178232267 /nfs/dbraw/zinc/23/22/67/178232267.db2.gz ITVPOUGXOZFDET-NXEZZACHSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)c(C)s1 ZINC000035732884 178256427 /nfs/dbraw/zinc/25/64/27/178256427.db2.gz ITVPOUGXOZFDET-ZJUUUORDSA-N 1 0 223.385 3.814 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cccs1 ZINC000035732919 342892323 /nfs/dbraw/zinc/89/23/23/342892323.db2.gz OLOLWGNTCGDLSG-ONGXEEELSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccs1 ZINC000035732920 342892300 /nfs/dbraw/zinc/89/23/00/342892300.db2.gz OLOLWGNTCGDLSG-GXSJLCMTSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccs1 ZINC000035732921 342892374 /nfs/dbraw/zinc/89/23/74/342892374.db2.gz OLOLWGNTCGDLSG-KOLCDFICSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccs1 ZINC000035732922 170911256 /nfs/dbraw/zinc/91/12/56/170911256.db2.gz OLOLWGNTCGDLSG-MWLCHTKSSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000035732961 384313324 /nfs/dbraw/zinc/31/33/24/384313324.db2.gz IVIQXHNIOBKRJM-IUCAKERBSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000035732962 344331001 /nfs/dbraw/zinc/33/10/01/344331001.db2.gz IVIQXHNIOBKRJM-DTWKUNHWSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000035732963 176907719 /nfs/dbraw/zinc/90/77/19/176907719.db2.gz IVIQXHNIOBKRJM-BDAKNGLRSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000035732964 344330821 /nfs/dbraw/zinc/33/08/21/344330821.db2.gz IVIQXHNIOBKRJM-RKDXNWHRSA-N 1 0 241.737 3.928 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732965 323668687 /nfs/dbraw/zinc/66/86/87/323668687.db2.gz QHWYPRKSYGVBPS-QWRGUYRKSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732966 387580770 /nfs/dbraw/zinc/58/07/70/387580770.db2.gz QHWYPRKSYGVBPS-WDEREUQCSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732967 323668942 /nfs/dbraw/zinc/66/89/42/323668942.db2.gz QHWYPRKSYGVBPS-MNOVXSKESA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732968 323669011 /nfs/dbraw/zinc/66/90/11/323669011.db2.gz QHWYPRKSYGVBPS-GHMZBOCLSA-N 1 0 235.396 3.858 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000035732977 358458937 /nfs/dbraw/zinc/45/89/37/358458937.db2.gz IEUXULUGZUBIMP-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000035732978 387552105 /nfs/dbraw/zinc/55/21/05/387552105.db2.gz IEUXULUGZUBIMP-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000035732979 358458957 /nfs/dbraw/zinc/45/89/57/358458957.db2.gz IEUXULUGZUBIMP-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000035732980 387553044 /nfs/dbraw/zinc/55/30/44/387553044.db2.gz IEUXULUGZUBIMP-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)s1 ZINC000035733001 178844904 /nfs/dbraw/zinc/84/49/04/178844904.db2.gz KUIFDUMRQYXSKU-VHSXEESVSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)s1 ZINC000035733002 384421064 /nfs/dbraw/zinc/42/10/64/384421064.db2.gz KUIFDUMRQYXSKU-UWVGGRQHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)s1 ZINC000035733003 384421857 /nfs/dbraw/zinc/42/18/57/384421857.db2.gz KUIFDUMRQYXSKU-NXEZZACHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)s1 ZINC000035733004 384420997 /nfs/dbraw/zinc/42/09/97/384420997.db2.gz KUIFDUMRQYXSKU-ZJUUUORDSA-N 1 0 209.358 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc2ccccc2o1 ZINC000035733021 384313311 /nfs/dbraw/zinc/31/33/11/384313311.db2.gz JARSMRNBVXKOPX-QWRGUYRKSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc2ccccc2o1 ZINC000035733022 344330927 /nfs/dbraw/zinc/33/09/27/344330927.db2.gz JARSMRNBVXKOPX-WDEREUQCSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC000035733023 176907850 /nfs/dbraw/zinc/90/78/50/176907850.db2.gz JARSMRNBVXKOPX-MNOVXSKESA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc2ccccc2o1 ZINC000035733024 344330986 /nfs/dbraw/zinc/33/09/86/344330986.db2.gz JARSMRNBVXKOPX-GHMZBOCLSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733067 383872775 /nfs/dbraw/zinc/87/27/75/383872775.db2.gz WEOOSWMYHNFZEK-LRDDRELGSA-N 1 0 241.334 3.757 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733068 343302756 /nfs/dbraw/zinc/30/27/56/343302756.db2.gz WEOOSWMYHNFZEK-WBMJQRKESA-N 1 0 241.334 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733069 343302853 /nfs/dbraw/zinc/30/28/53/343302853.db2.gz WEOOSWMYHNFZEK-BLLLJJGKSA-N 1 0 241.334 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733070 343302839 /nfs/dbraw/zinc/30/28/39/343302839.db2.gz WEOOSWMYHNFZEK-MLGOLLRUSA-N 1 0 241.334 3.757 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733103 167298761 /nfs/dbraw/zinc/29/87/61/167298761.db2.gz IWGLHRZCUCBMFH-QWHCGFSZSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733104 167300554 /nfs/dbraw/zinc/30/05/54/167300554.db2.gz IWGLHRZCUCBMFH-STQMWFEESA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733105 167299061 /nfs/dbraw/zinc/29/90/61/167299061.db2.gz IWGLHRZCUCBMFH-CHWSQXEVSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733106 167300465 /nfs/dbraw/zinc/30/04/65/167300465.db2.gz IWGLHRZCUCBMFH-OLZOCXBDSA-N 1 0 247.382 3.923 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035733111 170597196 /nfs/dbraw/zinc/59/71/96/170597196.db2.gz NSHGZWHPPGEJDI-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035733112 170599063 /nfs/dbraw/zinc/59/90/63/170599063.db2.gz NSHGZWHPPGEJDI-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000035733113 359660231 /nfs/dbraw/zinc/66/02/31/359660231.db2.gz NSHGZWHPPGEJDI-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000035733114 359660093 /nfs/dbraw/zinc/66/00/93/359660093.db2.gz NSHGZWHPPGEJDI-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000035733115 344331587 /nfs/dbraw/zinc/33/15/87/344331587.db2.gz RERBGRNRMJIVIF-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000035733116 170907877 /nfs/dbraw/zinc/90/78/77/170907877.db2.gz RERBGRNRMJIVIF-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(OC)cc1 ZINC000035733117 171543783 /nfs/dbraw/zinc/54/37/83/171543783.db2.gz RERBGRNRMJIVIF-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(OC)cc1 ZINC000035733118 344331604 /nfs/dbraw/zinc/33/16/04/344331604.db2.gz RERBGRNRMJIVIF-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C)cc1 ZINC000035733119 171536182 /nfs/dbraw/zinc/53/61/82/171536182.db2.gz MVDNZRINTINKAW-WFASDCNBSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C)cc1 ZINC000035733120 170907745 /nfs/dbraw/zinc/90/77/45/170907745.db2.gz MVDNZRINTINKAW-SWLSCSKDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(C)cc1 ZINC000035733121 171543879 /nfs/dbraw/zinc/54/38/79/171543879.db2.gz MVDNZRINTINKAW-DOMZBBRYSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C)cc1 ZINC000035733122 358458509 /nfs/dbraw/zinc/45/85/09/358458509.db2.gz MVDNZRINTINKAW-IUODEOHRSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)C1CC1 ZINC000035733179 343303196 /nfs/dbraw/zinc/30/31/96/343303196.db2.gz JXEIMPOQSJAEAB-GXFFZTMASA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C1CC1 ZINC000035733180 343303140 /nfs/dbraw/zinc/30/31/40/343303140.db2.gz JXEIMPOQSJAEAB-ZWNOBZJWSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)C1CC1 ZINC000035733181 343303179 /nfs/dbraw/zinc/30/31/79/343303179.db2.gz JXEIMPOQSJAEAB-GWCFXTLKSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)C1CC1 ZINC000035733182 343303186 /nfs/dbraw/zinc/30/31/86/343303186.db2.gz JXEIMPOQSJAEAB-MFKMUULPSA-N 1 0 233.380 3.612 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733195 359659765 /nfs/dbraw/zinc/65/97/65/359659765.db2.gz GXULPNAZGWGIMG-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733196 359660182 /nfs/dbraw/zinc/66/01/82/359660182.db2.gz GXULPNAZGWGIMG-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733197 359659702 /nfs/dbraw/zinc/65/97/02/359659702.db2.gz GXULPNAZGWGIMG-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733198 359659748 /nfs/dbraw/zinc/65/97/48/359659748.db2.gz GXULPNAZGWGIMG-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000035733239 358458722 /nfs/dbraw/zinc/45/87/22/358458722.db2.gz ZAPDROZLIDAXKN-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000035733240 358458665 /nfs/dbraw/zinc/45/86/65/358458665.db2.gz ZAPDROZLIDAXKN-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000035733241 358458559 /nfs/dbraw/zinc/45/85/59/358458559.db2.gz ZAPDROZLIDAXKN-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000035733242 358458612 /nfs/dbraw/zinc/45/86/12/358458612.db2.gz ZAPDROZLIDAXKN-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000035733350 342891058 /nfs/dbraw/zinc/89/10/58/342891058.db2.gz KIPBYXLWCLBVHP-FZMZJTMJSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000035733351 342891112 /nfs/dbraw/zinc/89/11/12/342891112.db2.gz KIPBYXLWCLBVHP-SMDDNHRTSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000035733352 342891095 /nfs/dbraw/zinc/89/10/95/342891095.db2.gz KIPBYXLWCLBVHP-RISCZKNCSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000035733353 342891061 /nfs/dbraw/zinc/89/10/61/342891061.db2.gz KIPBYXLWCLBVHP-BXUZGUMPSA-N 1 0 203.329 3.526 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035738662 634080151 /nfs/dbraw/zinc/08/01/51/634080151.db2.gz PWDFISPCVLMKQV-NEPJUHHUSA-N 1 0 209.333 3.899 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035738663 634081177 /nfs/dbraw/zinc/08/11/77/634081177.db2.gz PWDFISPCVLMKQV-RYUDHWBXSA-N 1 0 209.333 3.899 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000035738664 634080941 /nfs/dbraw/zinc/08/09/41/634080941.db2.gz PWDFISPCVLMKQV-VXGBXAGGSA-N 1 0 209.333 3.899 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000035738665 634080579 /nfs/dbraw/zinc/08/05/79/634080579.db2.gz PWDFISPCVLMKQV-NWDGAFQWSA-N 1 0 209.333 3.899 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738968 175293032 /nfs/dbraw/zinc/29/30/32/175293032.db2.gz OMBYPYRPLVBLAB-RYUDHWBXSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738969 175288066 /nfs/dbraw/zinc/28/80/66/175288066.db2.gz OMBYPYRPLVBLAB-NEPJUHHUSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000035738970 175293675 /nfs/dbraw/zinc/29/36/75/175293675.db2.gz OMBYPYRPLVBLAB-NWDGAFQWSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000035738971 175288123 /nfs/dbraw/zinc/28/81/23/175288123.db2.gz OMBYPYRPLVBLAB-VXGBXAGGSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738976 175189642 /nfs/dbraw/zinc/18/96/42/175189642.db2.gz OZNKZWJEJXLXMD-RYUDHWBXSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738977 175177458 /nfs/dbraw/zinc/17/74/58/175177458.db2.gz OZNKZWJEJXLXMD-NEPJUHHUSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738978 175190335 /nfs/dbraw/zinc/19/03/35/175190335.db2.gz OZNKZWJEJXLXMD-NWDGAFQWSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738979 175177907 /nfs/dbraw/zinc/17/79/07/175177907.db2.gz OZNKZWJEJXLXMD-VXGBXAGGSA-N 1 0 245.322 3.700 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035739039 383874131 /nfs/dbraw/zinc/87/41/31/383874131.db2.gz IAEVEYCDGODTFV-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035739040 383871549 /nfs/dbraw/zinc/87/15/49/383871549.db2.gz IAEVEYCDGODTFV-STQMWFEESA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035739041 383874402 /nfs/dbraw/zinc/87/44/02/383874402.db2.gz IAEVEYCDGODTFV-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035739042 383874057 /nfs/dbraw/zinc/87/40/57/383874057.db2.gz IAEVEYCDGODTFV-QWHCGFSZSA-N 1 0 229.323 4.000 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000035739331 383873303 /nfs/dbraw/zinc/87/33/03/383873303.db2.gz RYCPNUPTXQOUGP-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccco2)s1 ZINC000035739332 383872549 /nfs/dbraw/zinc/87/25/49/383872549.db2.gz RYCPNUPTXQOUGP-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCS2 ZINC000035759998 342892295 /nfs/dbraw/zinc/89/22/95/342892295.db2.gz UHJYZFBUPXETEJ-LLVKDONJSA-N 1 0 239.771 3.629 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCS2 ZINC000035760002 342892672 /nfs/dbraw/zinc/89/26/72/342892672.db2.gz UHJYZFBUPXETEJ-NSHDSACASA-N 1 0 239.771 3.629 20 0 BHADRO CC(C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000035760017 167134579 /nfs/dbraw/zinc/13/45/79/167134579.db2.gz YPWPVCYWQBSLGB-LLVKDONJSA-N 1 0 241.787 3.875 20 0 BHADRO CC(C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000035760018 167140250 /nfs/dbraw/zinc/14/02/50/167140250.db2.gz YPWPVCYWQBSLGB-NSHDSACASA-N 1 0 241.787 3.875 20 0 BHADRO CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000035760025 170150564 /nfs/dbraw/zinc/15/05/64/170150564.db2.gz LVESRAZMKKPWIK-LLVKDONJSA-N 1 0 241.787 3.877 20 0 BHADRO CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000035760028 170167298 /nfs/dbraw/zinc/16/72/98/170167298.db2.gz LVESRAZMKKPWIK-NSHDSACASA-N 1 0 241.787 3.877 20 0 BHADRO CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000035760049 169283421 /nfs/dbraw/zinc/28/34/21/169283421.db2.gz IVMGJDQLDAAGNU-LLVKDONJSA-N 1 0 241.787 3.877 20 0 BHADRO CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000035760053 169292918 /nfs/dbraw/zinc/29/29/18/169292918.db2.gz IVMGJDQLDAAGNU-NSHDSACASA-N 1 0 241.787 3.877 20 0 BHADRO Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC1 ZINC000035760177 538957802 /nfs/dbraw/zinc/95/78/02/538957802.db2.gz LQXBWHMOFLRABM-NSHDSACASA-N 1 0 239.771 3.629 20 0 BHADRO Clc1cccc2c1SCC[C@H]2[NH2+]C1CC1 ZINC000035760179 538957893 /nfs/dbraw/zinc/95/78/93/538957893.db2.gz LQXBWHMOFLRABM-LLVKDONJSA-N 1 0 239.771 3.629 20 0 BHADRO CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000035760228 169283415 /nfs/dbraw/zinc/28/34/15/169283415.db2.gz BOZZDMIRFBWMCQ-LLVKDONJSA-N 1 0 241.787 3.877 20 0 BHADRO CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000035760231 169292684 /nfs/dbraw/zinc/29/26/84/169292684.db2.gz BOZZDMIRFBWMCQ-NSHDSACASA-N 1 0 241.787 3.877 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC1)CCS2 ZINC000035762467 178286687 /nfs/dbraw/zinc/28/66/87/178286687.db2.gz NKYVSZCNMVYHJN-ZDUSSCGKSA-N 1 0 233.380 3.592 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]C1CC1)CCS2 ZINC000035762468 178287697 /nfs/dbraw/zinc/28/76/97/178287697.db2.gz NKYVSZCNMVYHJN-CYBMUJFWSA-N 1 0 233.380 3.592 20 0 BHADRO CCC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000035762485 169282968 /nfs/dbraw/zinc/28/29/68/169282968.db2.gz HOXAVFJGPXFXBT-CYBMUJFWSA-N 1 0 235.396 3.840 20 0 BHADRO CCC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000035762486 169292934 /nfs/dbraw/zinc/29/29/34/169292934.db2.gz HOXAVFJGPXFXBT-ZDUSSCGKSA-N 1 0 235.396 3.840 20 0 BHADRO CC(C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000035976155 167095454 /nfs/dbraw/zinc/09/54/54/167095454.db2.gz ZQOCRBZFSOTRMM-UHFFFAOYSA-N 1 0 223.747 3.584 20 0 BHADRO CC(C)C[NH2+]CCc1c(Cl)cccc1Cl ZINC000036154528 167004705 /nfs/dbraw/zinc/00/47/05/167004705.db2.gz MCZGUCKSNPSRAJ-UHFFFAOYSA-N 1 0 246.181 3.782 20 0 BHADRO Clc1ccc(CC[NH2+]CC2CC2)c(Cl)c1 ZINC000036154568 387581235 /nfs/dbraw/zinc/58/12/35/387581235.db2.gz HXSDAFUHWRNQFR-UHFFFAOYSA-N 1 0 244.165 3.536 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cccc(N)c1 ZINC000036196525 168350737 /nfs/dbraw/zinc/35/07/37/168350737.db2.gz KAHYOWXZVFMUMQ-UHFFFAOYSA-N 1 0 234.387 3.527 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+]CCOCC)cc1 ZINC000036228335 387583462 /nfs/dbraw/zinc/58/34/62/387583462.db2.gz CMEYPKCMWCUCBU-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+]CCOCC)cc1 ZINC000036228337 387582611 /nfs/dbraw/zinc/58/26/11/387582611.db2.gz CMEYPKCMWCUCBU-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036229141 262849248 /nfs/dbraw/zinc/84/92/48/262849248.db2.gz HSLSDESEIKYVNU-ZDUSSCGKSA-N 1 0 249.398 3.671 20 0 BHADRO CCOCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036229144 387583515 /nfs/dbraw/zinc/58/35/15/387583515.db2.gz HSLSDESEIKYVNU-CYBMUJFWSA-N 1 0 249.398 3.671 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000036319272 187392446 /nfs/dbraw/zinc/39/24/46/187392446.db2.gz HPWOCLXYZSYOLH-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000036319273 188255572 /nfs/dbraw/zinc/25/55/72/188255572.db2.gz HPWOCLXYZSYOLH-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1 ZINC000036319364 343315331 /nfs/dbraw/zinc/31/53/31/343315331.db2.gz HLQGQVRIAPXOFI-CYBMUJFWSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]C2CCOCC2)cc1 ZINC000036319365 343315328 /nfs/dbraw/zinc/31/53/28/343315328.db2.gz HLQGQVRIAPXOFI-ZDUSSCGKSA-N 1 0 247.382 3.640 20 0 BHADRO CC1CCC(Nc2ccc(N(C)C)cc2)CC1 ZINC000036335227 643462437 /nfs/dbraw/zinc/46/24/37/643462437.db2.gz QTZSRSUIUBBJQY-UHFFFAOYSA-N 1 0 232.371 3.743 20 0 BHADRO CC(C)[NH+](CCCc1ccccc1)C(C)C ZINC000036450132 583665428 /nfs/dbraw/zinc/66/54/28/583665428.db2.gz UNIVTHBUWJUZGZ-UHFFFAOYSA-N 1 0 219.372 3.738 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2)o1 ZINC000036778707 387555976 /nfs/dbraw/zinc/55/59/76/387555976.db2.gz YQDUVAJPZUEHDM-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2)o1 ZINC000036778708 387554708 /nfs/dbraw/zinc/55/47/08/387554708.db2.gz YQDUVAJPZUEHDM-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(F)c1)c1cccs1 ZINC000036778729 176853565 /nfs/dbraw/zinc/85/35/65/176853565.db2.gz USOUUKMJNNSYMG-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(F)c1)c1cccs1 ZINC000036778730 175884416 /nfs/dbraw/zinc/88/44/16/175884416.db2.gz USOUUKMJNNSYMG-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000036791909 712495400 /nfs/dbraw/zinc/49/54/00/712495400.db2.gz FTRSBGBSFJPINZ-OLZOCXBDSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000036791911 712495200 /nfs/dbraw/zinc/49/52/00/712495200.db2.gz FTRSBGBSFJPINZ-STQMWFEESA-N 1 0 229.408 3.748 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000036791913 712495029 /nfs/dbraw/zinc/49/50/29/712495029.db2.gz FTRSBGBSFJPINZ-CHWSQXEVSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000036791914 712495413 /nfs/dbraw/zinc/49/54/13/712495413.db2.gz FTRSBGBSFJPINZ-QWHCGFSZSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000036792500 712495643 /nfs/dbraw/zinc/49/56/43/712495643.db2.gz DUYBRGGSSFTHPD-CYBMUJFWSA-N 1 0 231.383 3.712 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000036792501 712495857 /nfs/dbraw/zinc/49/58/57/712495857.db2.gz DUYBRGGSSFTHPD-ZDUSSCGKSA-N 1 0 231.383 3.712 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccc(CC)cc2)o1 ZINC000036818953 323684387 /nfs/dbraw/zinc/68/43/87/323684387.db2.gz KSBCUPLDGAAZRC-UHFFFAOYSA-N 1 0 229.323 3.619 20 0 BHADRO CCc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000036818959 387702120 /nfs/dbraw/zinc/70/21/20/387702120.db2.gz YCCFLRPWDMMUBL-UHFFFAOYSA-N 1 0 241.334 3.761 20 0 BHADRO CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000036819049 170126144 /nfs/dbraw/zinc/12/61/44/170126144.db2.gz OHNVOYWIILCXKA-UHFFFAOYSA-N 1 0 233.286 3.504 20 0 BHADRO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000036819051 169267318 /nfs/dbraw/zinc/26/73/18/169267318.db2.gz FSIDGTQMLBDRRO-UHFFFAOYSA-N 1 0 247.313 3.894 20 0 BHADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C(C)C)o1 ZINC000036819052 178080117 /nfs/dbraw/zinc/08/01/17/178080117.db2.gz MTCTVJDEEQSZFF-UHFFFAOYSA-N 1 0 247.313 3.892 20 0 BHADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000036819054 178081252 /nfs/dbraw/zinc/08/12/52/178081252.db2.gz HIIFEWCEFNXOIZ-UHFFFAOYSA-N 1 0 245.297 3.646 20 0 BHADRO c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000036840334 387772103 /nfs/dbraw/zinc/77/21/03/387772103.db2.gz BABJOXQRDYEFBZ-UHFFFAOYSA-N 1 0 237.346 3.722 20 0 BHADRO CCCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000036840340 538961171 /nfs/dbraw/zinc/96/11/71/538961171.db2.gz UPWBWNLXDRWZQH-UHFFFAOYSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840344 387772912 /nfs/dbraw/zinc/77/29/12/387772912.db2.gz KKUKTNFBOSMBRW-LRVUVFPRSA-N 1 0 217.356 3.711 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840345 387772290 /nfs/dbraw/zinc/77/22/90/387772290.db2.gz KKUKTNFBOSMBRW-GRTSSRMGSA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000036840383 712499696 /nfs/dbraw/zinc/49/96/96/712499696.db2.gz TXVURMNEDQIEQX-UHFFFAOYSA-N 1 0 217.356 3.568 20 0 BHADRO c1ccc(C2CC([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000036840507 183389731 /nfs/dbraw/zinc/38/97/31/183389731.db2.gz FMIFPGHLDVNRMJ-UHFFFAOYSA-N 1 0 241.378 3.711 20 0 BHADRO c1csc(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000036840522 183390366 /nfs/dbraw/zinc/39/03/66/183390366.db2.gz XBOUVXBLWPGVKW-UHFFFAOYSA-N 1 0 243.375 3.784 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840595 167380151 /nfs/dbraw/zinc/38/01/51/167380151.db2.gz ZVCSFEGIVPDBAV-LRVUVFPRSA-N 1 0 217.356 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840596 712499624 /nfs/dbraw/zinc/49/96/24/712499624.db2.gz ZVCSFEGIVPDBAV-GRTSSRMGSA-N 1 0 217.356 3.567 20 0 BHADRO c1ccc(C2CC([NH2+]CC3CCCC3)C2)cc1 ZINC000036840611 387773260 /nfs/dbraw/zinc/77/32/60/387773260.db2.gz KCDUMGFIFHUCJK-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840613 387772413 /nfs/dbraw/zinc/77/24/13/387772413.db2.gz DMYKWBLOWNEKMP-IUDNXUCKSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000036840614 387772184 /nfs/dbraw/zinc/77/21/84/387772184.db2.gz DMYKWBLOWNEKMP-JEYLPNPQSA-N 1 0 231.383 3.957 20 0 BHADRO Cc1ccc(C2CC([NH2+]Cc3ccco3)C2)cc1 ZINC000036840717 387772551 /nfs/dbraw/zinc/77/25/51/387772551.db2.gz NCNMZJIQVBXJBT-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO Cc1ccccc1C1CC([NH2+]Cc2ccco2)C1 ZINC000036840726 179256661 /nfs/dbraw/zinc/25/66/61/179256661.db2.gz ACLGNSCXJUAVKA-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO CCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840729 384459457 /nfs/dbraw/zinc/45/94/57/384459457.db2.gz PVHLEEGEMVJUBK-UHFFFAOYSA-N 1 0 223.747 3.586 20 0 BHADRO CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840736 384458896 /nfs/dbraw/zinc/45/88/96/384458896.db2.gz ZZGJVHGLAMEMHR-UHFFFAOYSA-N 1 0 223.747 3.586 20 0 BHADRO CCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840740 384460127 /nfs/dbraw/zinc/46/01/27/384460127.db2.gz GKACHSAUORNUKY-UHFFFAOYSA-N 1 0 223.747 3.586 20 0 BHADRO CC(C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840909 167094600 /nfs/dbraw/zinc/09/46/00/167094600.db2.gz FERVXHWZKYSWIN-UHFFFAOYSA-N 1 0 223.747 3.584 20 0 BHADRO CC(C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840919 167094476 /nfs/dbraw/zinc/09/44/76/167094476.db2.gz ZEBKEMWTTGAQCT-UHFFFAOYSA-N 1 0 223.747 3.584 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840939 387774173 /nfs/dbraw/zinc/77/41/73/387774173.db2.gz URKUJSHYYPZAGT-VOMCLLRMSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840940 387774755 /nfs/dbraw/zinc/77/47/55/387774755.db2.gz URKUJSHYYPZAGT-UNXYVOJBSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036840945 387774149 /nfs/dbraw/zinc/77/41/49/387774149.db2.gz QPJJDTYYVPHHMK-LRVUVFPRSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036840946 387773945 /nfs/dbraw/zinc/77/39/45/387773945.db2.gz QPJJDTYYVPHHMK-GRTSSRMGSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840953 387774181 /nfs/dbraw/zinc/77/41/81/387774181.db2.gz RVKSFGWDXFEFJW-PWQPVHBWSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840954 387774430 /nfs/dbraw/zinc/77/44/30/387774430.db2.gz RVKSFGWDXFEFJW-JKDOVBDQSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840961 387773891 /nfs/dbraw/zinc/77/38/91/387773891.db2.gz QDSXNNVHTPSXFM-PWQPVHBWSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840962 262891507 /nfs/dbraw/zinc/89/15/07/262891507.db2.gz QDSXNNVHTPSXFM-JKDOVBDQSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000036840963 517759093 /nfs/dbraw/zinc/75/90/93/517759093.db2.gz LLIFOUWAVZATJJ-IYXRBSQSSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000036840964 171338836 /nfs/dbraw/zinc/33/88/36/171338836.db2.gz LLIFOUWAVZATJJ-HSBZDZAISA-N 1 0 217.356 3.629 20 0 BHADRO CC(C)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840968 387774192 /nfs/dbraw/zinc/77/41/92/387774192.db2.gz PUKPSELFLIJWOK-UHFFFAOYSA-N 1 0 237.774 3.832 20 0 BHADRO CC(C)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840975 262891600 /nfs/dbraw/zinc/89/16/00/262891600.db2.gz PZQWMPWAYYBGCN-UHFFFAOYSA-N 1 0 237.774 3.832 20 0 BHADRO Fc1ccc(C2CC([NH2+]C3CCCC3)C2)cc1 ZINC000036840982 180962935 /nfs/dbraw/zinc/96/29/35/180962935.db2.gz UGNBSJZOLNCLLG-UHFFFAOYSA-N 1 0 233.330 3.604 20 0 BHADRO Cc1ccc(C2CC([NH2+]C3CCCC3)C2)cc1 ZINC000036840986 387774811 /nfs/dbraw/zinc/77/48/11/387774811.db2.gz DBDIICZOYDPCBH-UHFFFAOYSA-N 1 0 229.367 3.773 20 0 BHADRO Fc1cccc(C2CC([NH2+]C3CCCC3)C2)c1 ZINC000036840987 343325240 /nfs/dbraw/zinc/32/52/40/343325240.db2.gz MGIQNGLZJFOXKM-UHFFFAOYSA-N 1 0 233.330 3.604 20 0 BHADRO Fc1ccccc1C1CC([NH2+]C2CCCC2)C1 ZINC000036840989 181010838 /nfs/dbraw/zinc/01/08/38/181010838.db2.gz AWLFDBODPSLHQG-UHFFFAOYSA-N 1 0 233.330 3.604 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C2CCCC2)C1 ZINC000036840995 179256178 /nfs/dbraw/zinc/25/61/78/179256178.db2.gz YRHPSEHHWOOONO-UHFFFAOYSA-N 1 0 229.367 3.773 20 0 BHADRO Clc1cccc(C2CC([NH2+]CC3CC3)C2)c1 ZINC000036841024 180589632 /nfs/dbraw/zinc/58/96/32/180589632.db2.gz UAZVFJLCHURXTL-UHFFFAOYSA-N 1 0 235.758 3.586 20 0 BHADRO CCCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036841114 387774039 /nfs/dbraw/zinc/77/40/39/387774039.db2.gz CFCDJJDZXSSSJX-UHFFFAOYSA-N 1 0 235.346 3.852 20 0 BHADRO CCCCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036841119 387773751 /nfs/dbraw/zinc/77/37/51/387773751.db2.gz HDAYKNJKXIJBNB-UHFFFAOYSA-N 1 0 235.346 3.852 20 0 BHADRO CCCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036841121 387774867 /nfs/dbraw/zinc/77/48/67/387774867.db2.gz VXQRIKLXKYSYAR-UHFFFAOYSA-N 1 0 235.346 3.852 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036841171 538961130 /nfs/dbraw/zinc/96/11/30/538961130.db2.gz ROJHZXIGMHKFPH-NUYPLMSZSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036841172 538961164 /nfs/dbraw/zinc/96/11/64/538961164.db2.gz ROJHZXIGMHKFPH-ZOODHJKOSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(c2ccccc2OC)C1 ZINC000036841175 169369567 /nfs/dbraw/zinc/36/95/67/169369567.db2.gz STTSSDDECVAQPC-IYXRBSQSSA-N 1 0 247.382 3.719 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(c2ccccc2OC)C1 ZINC000036841176 387555023 /nfs/dbraw/zinc/55/50/23/387555023.db2.gz STTSSDDECVAQPC-HSBZDZAISA-N 1 0 247.382 3.719 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036841185 538961295 /nfs/dbraw/zinc/96/12/95/538961295.db2.gz PFTYSYUIFYMHFE-PNESKVBLSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036841186 538961302 /nfs/dbraw/zinc/96/13/02/538961302.db2.gz PFTYSYUIFYMHFE-HIFPTAJRSA-N 1 0 235.346 3.850 20 0 BHADRO CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036841543 262891397 /nfs/dbraw/zinc/89/13/97/262891397.db2.gz DULWFDNZCZPVQJ-UHFFFAOYSA-N 1 0 237.774 3.976 20 0 BHADRO CCCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036841549 262891515 /nfs/dbraw/zinc/89/15/15/262891515.db2.gz WFYOXFAXAZHSJN-UHFFFAOYSA-N 1 0 217.356 3.631 20 0 BHADRO CCCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000036841566 712499637 /nfs/dbraw/zinc/49/96/37/712499637.db2.gz JFQDATNEBSZDOR-UHFFFAOYSA-N 1 0 217.356 3.631 20 0 BHADRO CC(C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036841824 166857643 /nfs/dbraw/zinc/85/76/43/166857643.db2.gz FQRMFKYUVRGXLV-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO COc1ccccc1C1CC([NH2+]CCC(C)C)C1 ZINC000036841828 175320726 /nfs/dbraw/zinc/32/07/26/175320726.db2.gz HZPGOLDXCWVUAM-UHFFFAOYSA-N 1 0 247.382 3.577 20 0 BHADRO Cc1ccc(C2CC([NH2+]CCC(C)C)C2)cc1 ZINC000036841832 387774942 /nfs/dbraw/zinc/77/49/42/387774942.db2.gz VCPHJUWEOQCHJA-UHFFFAOYSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036841834 262892069 /nfs/dbraw/zinc/89/20/69/262892069.db2.gz MTRLBJIWJYNGHE-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036841838 262892061 /nfs/dbraw/zinc/89/20/61/262892061.db2.gz AQCMKTKESRXAGT-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CCC(C)C)C1 ZINC000036841848 262891871 /nfs/dbraw/zinc/89/18/71/262891871.db2.gz XFONEZQRGVCMSI-UHFFFAOYSA-N 1 0 231.383 3.877 20 0 BHADRO COc1ccccc1C1CC([NH2+][C@H](C)C(C)C)C1 ZINC000036845772 175320979 /nfs/dbraw/zinc/32/09/79/175320979.db2.gz POFRRCRGVIURIA-IYXRBSQSSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccccc1C1CC([NH2+][C@@H](C)C(C)C)C1 ZINC000036845776 175320347 /nfs/dbraw/zinc/32/03/47/175320347.db2.gz POFRRCRGVIURIA-HSBZDZAISA-N 1 0 247.382 3.575 20 0 BHADRO Clc1ccccc1C1CC([NH2+]CC2CCC2)C1 ZINC000036846147 323727032 /nfs/dbraw/zinc/72/70/32/323727032.db2.gz CPNPWSVFQIHJJF-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC3CCC3)C2)cc1 ZINC000036846152 323726755 /nfs/dbraw/zinc/72/67/55/323726755.db2.gz QDXKWWRORXAJQY-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO Clc1ccc(C2CC([NH2+]CC3CCC3)C2)cc1 ZINC000036846159 538961183 /nfs/dbraw/zinc/96/11/83/538961183.db2.gz WRETUSCIVMBDCW-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO Clc1cccc(C2CC([NH2+]CC3CCC3)C2)c1 ZINC000036846167 323727156 /nfs/dbraw/zinc/72/71/56/323727156.db2.gz FJCGSTBECVKPPX-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC2CCC2)C1 ZINC000036846169 538961154 /nfs/dbraw/zinc/96/11/54/538961154.db2.gz SSVCISAWNYJKJW-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO Fc1cccc(C2CC([NH2+]CC3CCCC3)C2)c1 ZINC000036846230 387783152 /nfs/dbraw/zinc/78/31/52/387783152.db2.gz BUMRZRDJQJHHCG-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)C1CC1 ZINC000036846600 323727020 /nfs/dbraw/zinc/72/70/20/323727020.db2.gz BCVDXQXBXDDNSJ-PKSQDBQZSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2Cl)C1)C1CC1 ZINC000036846602 323727080 /nfs/dbraw/zinc/72/70/80/323727080.db2.gz BCVDXQXBXDDNSJ-QFWMXSHPSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H](C)C3CC3)C2)cc1 ZINC000036846612 323727025 /nfs/dbraw/zinc/72/70/25/323727025.db2.gz UVIXAGBCTITEDK-JQRITLKVSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H](C)C3CC3)C2)cc1 ZINC000036846613 387784059 /nfs/dbraw/zinc/78/40/59/387784059.db2.gz UVIXAGBCTITEDK-UWTIGNOOSA-N 1 0 229.367 3.629 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C1CC1 ZINC000036846626 323727902 /nfs/dbraw/zinc/72/79/02/323727902.db2.gz RMGKLOPOVSDEHK-KKJMOOEGSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C1CC1 ZINC000036846628 387784344 /nfs/dbraw/zinc/78/43/44/387784344.db2.gz RMGKLOPOVSDEHK-ZZJLNTIPSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000036846641 387784812 /nfs/dbraw/zinc/78/48/12/387784812.db2.gz MWDQOTWPBVGDSF-KKJMOOEGSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000036846643 323727844 /nfs/dbraw/zinc/72/78/44/323727844.db2.gz MWDQOTWPBVGDSF-ZZJLNTIPSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H](C)C2CC2)C1 ZINC000036846645 323728175 /nfs/dbraw/zinc/72/81/75/323728175.db2.gz MWDDEWHJRRQQCP-GRTSSRMGSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H](C)C2CC2)C1 ZINC000036846647 387785063 /nfs/dbraw/zinc/78/50/63/387785063.db2.gz MWDDEWHJRRQQCP-LRVUVFPRSA-N 1 0 229.367 3.629 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000036852036 387813671 /nfs/dbraw/zinc/81/36/71/387813671.db2.gz DMRZJYXHTKCDNX-KOHJWAIASA-N 1 0 245.366 3.548 20 0 BHADRO CC1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000036852038 387813371 /nfs/dbraw/zinc/81/33/71/387813371.db2.gz DMRZJYXHTKCDNX-QOZQQMKHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852100 387814035 /nfs/dbraw/zinc/81/40/35/387814035.db2.gz HNVOHFWECYTKBI-BYCMXARLSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852103 387813348 /nfs/dbraw/zinc/81/33/48/387813348.db2.gz HNVOHFWECYTKBI-KCPJHIHWSA-N 1 0 245.366 3.548 20 0 BHADRO Oc1cccc2c1CC[C@@H]2[NH2+]C1CCCCCC1 ZINC000036852265 387814567 /nfs/dbraw/zinc/81/45/67/387814567.db2.gz NRXWMJBWELWECE-HNNXBMFYSA-N 1 0 245.366 3.692 20 0 BHADRO Oc1cccc2c1CC[C@H]2[NH2+]C1CCCCCC1 ZINC000036852267 262900732 /nfs/dbraw/zinc/90/07/32/262900732.db2.gz NRXWMJBWELWECE-OAHLLOKOSA-N 1 0 245.366 3.692 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852273 262900772 /nfs/dbraw/zinc/90/07/72/262900772.db2.gz XXYUJTAOEYRXPE-IUODEOHRSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852275 387812861 /nfs/dbraw/zinc/81/28/61/387812861.db2.gz XXYUJTAOEYRXPE-SWLSCSKDSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000036852277 387813126 /nfs/dbraw/zinc/81/31/26/387813126.db2.gz XXYUJTAOEYRXPE-DOMZBBRYSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000036852278 387814133 /nfs/dbraw/zinc/81/41/33/387814133.db2.gz XXYUJTAOEYRXPE-WFASDCNBSA-N 1 0 247.382 3.794 20 0 BHADRO Oc1cccc2c1CC[C@@H]2[NH2+]CC1CCCCC1 ZINC000036852716 387814460 /nfs/dbraw/zinc/81/44/60/387814460.db2.gz VQNACCHLHWPGFZ-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1cccc2c1CC[C@H]2[NH2+]CC1CCCCC1 ZINC000036852718 387813377 /nfs/dbraw/zinc/81/33/77/387813377.db2.gz VQNACCHLHWPGFZ-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852816 712502761 /nfs/dbraw/zinc/50/27/61/712502761.db2.gz JYNAWYHUUIXWAD-IUODEOHRSA-N 1 0 247.382 3.938 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852817 712502816 /nfs/dbraw/zinc/50/28/16/712502816.db2.gz JYNAWYHUUIXWAD-SWLSCSKDSA-N 1 0 247.382 3.938 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000036852819 712502742 /nfs/dbraw/zinc/50/27/42/712502742.db2.gz JYNAWYHUUIXWAD-DOMZBBRYSA-N 1 0 247.382 3.938 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000036852821 712502811 /nfs/dbraw/zinc/50/28/11/712502811.db2.gz JYNAWYHUUIXWAD-WFASDCNBSA-N 1 0 247.382 3.938 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036854607 384460414 /nfs/dbraw/zinc/46/04/14/384460414.db2.gz QDGRMHNIGKPKHJ-XJFOESAGSA-N 1 0 211.393 3.835 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000036854608 384460234 /nfs/dbraw/zinc/46/02/34/384460234.db2.gz QDGRMHNIGKPKHJ-IGQOVBAYSA-N 1 0 211.393 3.835 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000036858346 175352610 /nfs/dbraw/zinc/35/26/10/175352610.db2.gz YJELHSJWIQQMCW-IHRRRGAJSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000036858348 175352412 /nfs/dbraw/zinc/35/24/12/175352412.db2.gz YJELHSJWIQQMCW-MELADBBJSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036862116 387817986 /nfs/dbraw/zinc/81/79/86/387817986.db2.gz PNCIVICHADHNCQ-FVQBIDKESA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036862120 387818707 /nfs/dbraw/zinc/81/87/07/387818707.db2.gz PNCIVICHADHNCQ-VNQPRFMTSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccncc1 ZINC000036866073 387835355 /nfs/dbraw/zinc/83/53/55/387835355.db2.gz USKQJARPAMASAJ-FVQBIDKESA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccncc1 ZINC000036866075 188285815 /nfs/dbraw/zinc/28/58/15/188285815.db2.gz USKQJARPAMASAJ-VNQPRFMTSA-N 1 0 246.398 3.632 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000036888556 358055912 /nfs/dbraw/zinc/05/59/12/358055912.db2.gz FEAKRFDTZHUBNG-PWSUYJOCSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000036888558 358055817 /nfs/dbraw/zinc/05/58/17/358055817.db2.gz FEAKRFDTZHUBNG-JQWIXIFHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000036888560 358055924 /nfs/dbraw/zinc/05/59/24/358055924.db2.gz FEAKRFDTZHUBNG-ZYHUDNBSSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000036888562 358055809 /nfs/dbraw/zinc/05/58/09/358055809.db2.gz FEAKRFDTZHUBNG-CMPLNLGQSA-N 1 0 239.309 3.633 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000036903897 347970158 /nfs/dbraw/zinc/97/01/58/347970158.db2.gz CWBWGOSCQGLMAX-MDZLAQPJSA-N 1 0 221.344 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000036903898 347969907 /nfs/dbraw/zinc/96/99/07/347969907.db2.gz CWBWGOSCQGLMAX-NTZNESFSSA-N 1 0 221.344 3.537 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CC1CCC1 ZINC000036909214 387861983 /nfs/dbraw/zinc/86/19/83/387861983.db2.gz JYIHAXKLOVCPAU-UHFFFAOYSA-N 1 0 243.350 3.885 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CCC(C)CC2)cs1 ZINC000036914533 180036212 /nfs/dbraw/zinc/03/62/12/180036212.db2.gz WLFMEAAIWQTWHO-SQLBVSGCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CCC(C)CC2)cs1 ZINC000036914534 180049395 /nfs/dbraw/zinc/04/93/95/180049395.db2.gz WLFMEAAIWQTWHO-YZRBJQDESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cs1 ZINC000036914566 180051825 /nfs/dbraw/zinc/05/18/25/180051825.db2.gz QFWSOMTUCLTMGJ-JBLDHEPKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cs1 ZINC000036914568 180051413 /nfs/dbraw/zinc/05/14/13/180051413.db2.gz QFWSOMTUCLTMGJ-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CCCCCC2)cs1 ZINC000036914673 180035442 /nfs/dbraw/zinc/03/54/42/180035442.db2.gz KQYNYBHCLUQFJQ-SNVBAGLBSA-N 1 0 238.400 3.825 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CCCCCC2)cs1 ZINC000036914674 180048269 /nfs/dbraw/zinc/04/82/69/180048269.db2.gz KQYNYBHCLUQFJQ-JTQLQIEISA-N 1 0 238.400 3.825 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000036914679 180038275 /nfs/dbraw/zinc/03/82/75/180038275.db2.gz JASGNRMTAZKPFF-WDEREUQCSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000036914680 180050856 /nfs/dbraw/zinc/05/08/56/180050856.db2.gz JASGNRMTAZKPFF-QWRGUYRKSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cs1 ZINC000036914681 180037792 /nfs/dbraw/zinc/03/77/92/180037792.db2.gz JASGNRMTAZKPFF-GHMZBOCLSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CCC(C)C)cs1 ZINC000036914682 180051364 /nfs/dbraw/zinc/05/13/64/180051364.db2.gz JASGNRMTAZKPFF-MNOVXSKESA-N 1 0 240.416 3.927 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036915225 387871704 /nfs/dbraw/zinc/87/17/04/387871704.db2.gz RSCXTZAFODBWQD-XJFOESAGSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000036915226 387871390 /nfs/dbraw/zinc/87/13/90/387871390.db2.gz RSCXTZAFODBWQD-IGQOVBAYSA-N 1 0 241.419 3.604 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000036915373 342913732 /nfs/dbraw/zinc/91/37/32/342913732.db2.gz RFWLAOFUWDHIOE-JTQLQIEISA-N 1 0 226.389 3.682 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1csc(C)n1 ZINC000036915374 342913904 /nfs/dbraw/zinc/91/39/04/342913904.db2.gz RFWLAOFUWDHIOE-SNVBAGLBSA-N 1 0 226.389 3.682 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2CCCCC2)cs1 ZINC000036915581 180035065 /nfs/dbraw/zinc/03/50/65/180035065.db2.gz ZPTBHUNADUKTME-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2CCCCC2)cs1 ZINC000036915582 180049123 /nfs/dbraw/zinc/04/91/23/180049123.db2.gz ZPTBHUNADUKTME-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cs1 ZINC000036915583 180037488 /nfs/dbraw/zinc/03/74/88/180037488.db2.gz AQLXACHPKATESF-VHSXEESVSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CC(C)C)cs1 ZINC000036915584 180051751 /nfs/dbraw/zinc/05/17/51/180051751.db2.gz AQLXACHPKATESF-UWVGGRQHSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CC(C)C)cs1 ZINC000036915585 180038329 /nfs/dbraw/zinc/03/83/29/180038329.db2.gz AQLXACHPKATESF-NXEZZACHSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CC(C)C)cs1 ZINC000036915586 180051004 /nfs/dbraw/zinc/05/10/04/180051004.db2.gz AQLXACHPKATESF-ZJUUUORDSA-N 1 0 226.389 3.537 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000036920951 262907614 /nfs/dbraw/zinc/90/76/14/262907614.db2.gz CIMGCTNPVRRUAH-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000036920953 387873682 /nfs/dbraw/zinc/87/36/82/387873682.db2.gz CIMGCTNPVRRUAH-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000036921797 262907804 /nfs/dbraw/zinc/90/78/04/262907804.db2.gz NASVBDLDRJMIHM-ZJUUUORDSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000036921798 387872903 /nfs/dbraw/zinc/87/29/03/387872903.db2.gz NASVBDLDRJMIHM-UWVGGRQHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000036921799 387872985 /nfs/dbraw/zinc/87/29/85/387872985.db2.gz NASVBDLDRJMIHM-NXEZZACHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000036921800 387872877 /nfs/dbraw/zinc/87/28/77/387872877.db2.gz NASVBDLDRJMIHM-VHSXEESVSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1F ZINC000036921908 711479879 /nfs/dbraw/zinc/47/98/79/711479879.db2.gz NOIQLWRLLKHLNN-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1F ZINC000036921909 712515439 /nfs/dbraw/zinc/51/54/39/712515439.db2.gz NOIQLWRLLKHLNN-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1(C)CC1 ZINC000036921910 712515393 /nfs/dbraw/zinc/51/53/93/712515393.db2.gz NOIQLWRLLKHLNN-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(F)ccc1F ZINC000036921911 712515317 /nfs/dbraw/zinc/51/53/17/712515317.db2.gz NOIQLWRLLKHLNN-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1cc(N(C)C)ccc1NC[C@H]1CC=CCC1 ZINC000036934672 712521127 /nfs/dbraw/zinc/52/11/27/712521127.db2.gz YDRGXUDRWFFIIZ-AWEZNQCLSA-N 1 0 244.382 3.829 20 0 BHADRO Cc1cc(N(C)C)ccc1NC[C@@H]1CC=CCC1 ZINC000036934673 712521191 /nfs/dbraw/zinc/52/11/91/712521191.db2.gz YDRGXUDRWFFIIZ-CQSZACIVSA-N 1 0 244.382 3.829 20 0 BHADRO CC[C@@H](C)CNc1ccc(N(C)C)cc1C ZINC000036934683 712521479 /nfs/dbraw/zinc/52/14/79/712521479.db2.gz QMWAJECAMKZZDB-LLVKDONJSA-N 1 0 220.360 3.519 20 0 BHADRO CC[C@H](C)CNc1ccc(N(C)C)cc1C ZINC000036934684 712521483 /nfs/dbraw/zinc/52/14/83/712521483.db2.gz QMWAJECAMKZZDB-NSHDSACASA-N 1 0 220.360 3.519 20 0 BHADRO Cc1cc(N(C)C)ccc1NC1CCCCC1 ZINC000036934845 712521091 /nfs/dbraw/zinc/52/10/91/712521091.db2.gz WDHLIFDRLDRJLB-UHFFFAOYSA-N 1 0 232.371 3.806 20 0 BHADRO CCC[C@@H](C)Nc1ccc(N(C)C)cc1C ZINC000036934859 712521302 /nfs/dbraw/zinc/52/13/02/712521302.db2.gz LDLXKHIISJPAQX-GFCCVEGCSA-N 1 0 220.360 3.662 20 0 BHADRO CCC[C@H](C)Nc1ccc(N(C)C)cc1C ZINC000036934860 712521067 /nfs/dbraw/zinc/52/10/67/712521067.db2.gz LDLXKHIISJPAQX-LBPRGKRZSA-N 1 0 220.360 3.662 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@@H](C)C(C)C ZINC000036934873 712521457 /nfs/dbraw/zinc/52/14/57/712521457.db2.gz REJIYEFZQWZSFA-LBPRGKRZSA-N 1 0 220.360 3.517 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@H](C)C(C)C ZINC000036934874 712521447 /nfs/dbraw/zinc/52/14/47/712521447.db2.gz REJIYEFZQWZSFA-GFCCVEGCSA-N 1 0 220.360 3.517 20 0 BHADRO CCC(CC)Nc1ccc(N(C)C)cc1C ZINC000036934897 712521155 /nfs/dbraw/zinc/52/11/55/712521155.db2.gz AFESAYUPDHLZFO-UHFFFAOYSA-N 1 0 220.360 3.662 20 0 BHADRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccco1 ZINC000036936189 712521098 /nfs/dbraw/zinc/52/10/98/712521098.db2.gz DDECXHSAQSJVCK-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccco1 ZINC000036936191 712521363 /nfs/dbraw/zinc/52/13/63/712521363.db2.gz DDECXHSAQSJVCK-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO CC(C)C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000036936197 712521462 /nfs/dbraw/zinc/52/14/62/712521462.db2.gz BZJXFOBRJDUXRO-NSHDSACASA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)C[NH2+][C@H](C)Cc1ccccc1Cl ZINC000036936199 712521060 /nfs/dbraw/zinc/52/10/60/712521060.db2.gz BZJXFOBRJDUXRO-LLVKDONJSA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000036936578 712521513 /nfs/dbraw/zinc/52/15/13/712521513.db2.gz FVLPQPNEMZBAFC-NWDGAFQWSA-N 1 0 239.790 3.905 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000036936579 712521460 /nfs/dbraw/zinc/52/14/60/712521460.db2.gz FVLPQPNEMZBAFC-RYUDHWBXSA-N 1 0 239.790 3.905 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000036936581 712521250 /nfs/dbraw/zinc/52/12/50/712521250.db2.gz FVLPQPNEMZBAFC-VXGBXAGGSA-N 1 0 239.790 3.905 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000036936583 712521466 /nfs/dbraw/zinc/52/14/66/712521466.db2.gz FVLPQPNEMZBAFC-NEPJUHHUSA-N 1 0 239.790 3.905 20 0 BHADRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C1CC1 ZINC000036936691 712521509 /nfs/dbraw/zinc/52/15/09/712521509.db2.gz GPCFWNAUFRTMJE-QWRGUYRKSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C1CC1 ZINC000036936693 712521105 /nfs/dbraw/zinc/52/11/05/712521105.db2.gz GPCFWNAUFRTMJE-MNOVXSKESA-N 1 0 237.774 3.659 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C1CC1 ZINC000036936695 712521469 /nfs/dbraw/zinc/52/14/69/712521469.db2.gz GPCFWNAUFRTMJE-WDEREUQCSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)C1CC1 ZINC000036936697 712521433 /nfs/dbraw/zinc/52/14/33/712521433.db2.gz GPCFWNAUFRTMJE-GHMZBOCLSA-N 1 0 237.774 3.659 20 0 BHADRO CCCC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000036936941 712521106 /nfs/dbraw/zinc/52/11/06/712521106.db2.gz RLPVRSDLCRCBBM-NSHDSACASA-N 1 0 225.763 3.661 20 0 BHADRO CCCC[NH2+][C@H](C)Cc1ccccc1Cl ZINC000036936943 712521136 /nfs/dbraw/zinc/52/11/36/712521136.db2.gz RLPVRSDLCRCBBM-LLVKDONJSA-N 1 0 225.763 3.661 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937157 262909343 /nfs/dbraw/zinc/90/93/43/262909343.db2.gz PLOLNEGIGBTWIR-NEPJUHHUSA-N 1 0 239.790 3.907 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937159 387879208 /nfs/dbraw/zinc/87/92/08/387879208.db2.gz PLOLNEGIGBTWIR-RYUDHWBXSA-N 1 0 239.790 3.907 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937161 387879250 /nfs/dbraw/zinc/87/92/50/387879250.db2.gz PLOLNEGIGBTWIR-VXGBXAGGSA-N 1 0 239.790 3.907 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937163 387878140 /nfs/dbraw/zinc/87/81/40/387878140.db2.gz PLOLNEGIGBTWIR-NWDGAFQWSA-N 1 0 239.790 3.907 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCCC1 ZINC000036937359 387878056 /nfs/dbraw/zinc/87/80/56/387878056.db2.gz RJRQXVCUFYZIPG-NSHDSACASA-N 1 0 237.774 3.803 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCCC1 ZINC000036937361 387877937 /nfs/dbraw/zinc/87/79/37/387877937.db2.gz RJRQXVCUFYZIPG-LLVKDONJSA-N 1 0 237.774 3.803 20 0 BHADRO CC(C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937454 262909217 /nfs/dbraw/zinc/90/92/17/262909217.db2.gz ZSSFUGBTTDYXBW-NSHDSACASA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937456 262909255 /nfs/dbraw/zinc/90/92/55/262909255.db2.gz ZSSFUGBTTDYXBW-LLVKDONJSA-N 1 0 225.763 3.517 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937759 712521407 /nfs/dbraw/zinc/52/14/07/712521407.db2.gz VXRGLRMQWAEAQV-MNOVXSKESA-N 1 0 225.763 3.659 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036937761 171345219 /nfs/dbraw/zinc/34/52/19/171345219.db2.gz VXRGLRMQWAEAQV-QWRGUYRKSA-N 1 0 225.763 3.659 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937763 711727525 /nfs/dbraw/zinc/72/75/25/711727525.db2.gz VXRGLRMQWAEAQV-GHMZBOCLSA-N 1 0 225.763 3.659 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036937765 171348245 /nfs/dbraw/zinc/34/82/45/171348245.db2.gz VXRGLRMQWAEAQV-WDEREUQCSA-N 1 0 225.763 3.659 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CC1 ZINC000036937943 387877761 /nfs/dbraw/zinc/87/77/61/387877761.db2.gz KBSXAOKUTPDXFB-QWRGUYRKSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CC1 ZINC000036937945 387878382 /nfs/dbraw/zinc/87/83/82/387878382.db2.gz KBSXAOKUTPDXFB-MNOVXSKESA-N 1 0 237.774 3.659 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C1CC1 ZINC000036937947 262909592 /nfs/dbraw/zinc/90/95/92/262909592.db2.gz KBSXAOKUTPDXFB-WDEREUQCSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C1CC1 ZINC000036937949 387878964 /nfs/dbraw/zinc/87/89/64/387878964.db2.gz KBSXAOKUTPDXFB-GHMZBOCLSA-N 1 0 237.774 3.659 20 0 BHADRO CCCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000036938185 397959328 /nfs/dbraw/zinc/95/93/28/397959328.db2.gz NCYIKADABDKWBB-NSHDSACASA-N 1 0 225.763 3.661 20 0 BHADRO CCCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000036938187 397959708 /nfs/dbraw/zinc/95/97/08/397959708.db2.gz NCYIKADABDKWBB-LLVKDONJSA-N 1 0 225.763 3.661 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000036952701 387910028 /nfs/dbraw/zinc/91/00/28/387910028.db2.gz JOVMHYIETDXKHC-ZJUUUORDSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000036952702 262912142 /nfs/dbraw/zinc/91/21/42/262912142.db2.gz JOVMHYIETDXKHC-UWVGGRQHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000036952703 387910216 /nfs/dbraw/zinc/91/02/16/387910216.db2.gz JOVMHYIETDXKHC-NXEZZACHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000036952704 262912045 /nfs/dbraw/zinc/91/20/45/262912045.db2.gz JOVMHYIETDXKHC-VHSXEESVSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1F ZINC000036952786 712516509 /nfs/dbraw/zinc/51/65/09/712516509.db2.gz GZZTZSQBQXYWLE-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1F ZINC000036952787 712516158 /nfs/dbraw/zinc/51/61/58/712516158.db2.gz GZZTZSQBQXYWLE-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1(C)CC1 ZINC000036952788 712516435 /nfs/dbraw/zinc/51/64/35/712516435.db2.gz GZZTZSQBQXYWLE-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(F)cc1F ZINC000036952789 712516479 /nfs/dbraw/zinc/51/64/79/712516479.db2.gz GZZTZSQBQXYWLE-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000036953047 387911146 /nfs/dbraw/zinc/91/11/46/387911146.db2.gz MABBCLBKOPFMNA-ZJUUUORDSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000036953048 387912084 /nfs/dbraw/zinc/91/20/84/387912084.db2.gz MABBCLBKOPFMNA-UWVGGRQHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000036953049 262912000 /nfs/dbraw/zinc/91/20/00/262912000.db2.gz MABBCLBKOPFMNA-NXEZZACHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000036953050 387910512 /nfs/dbraw/zinc/91/05/12/387910512.db2.gz MABBCLBKOPFMNA-VHSXEESVSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)c(F)c1 ZINC000036953128 712516507 /nfs/dbraw/zinc/51/65/07/712516507.db2.gz FKMLCPITENSIIE-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)c(F)c1 ZINC000036953129 712516189 /nfs/dbraw/zinc/51/61/89/712516189.db2.gz FKMLCPITENSIIE-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1(C)CC1 ZINC000036953130 712516574 /nfs/dbraw/zinc/51/65/74/712516574.db2.gz FKMLCPITENSIIE-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(F)c(F)c1 ZINC000036953131 712516454 /nfs/dbraw/zinc/51/64/54/712516454.db2.gz FKMLCPITENSIIE-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H](C)CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000036959112 384869936 /nfs/dbraw/zinc/86/99/36/384869936.db2.gz MIHHIRIANAEAIM-CQSZACIVSA-N 1 0 246.398 3.740 20 0 BHADRO CC[C@H](C)CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000036959113 322868013 /nfs/dbraw/zinc/86/80/13/322868013.db2.gz MIHHIRIANAEAIM-AWEZNQCLSA-N 1 0 246.398 3.740 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036959920 171366704 /nfs/dbraw/zinc/36/67/04/171366704.db2.gz XGZSOQKRHPOILA-WCQGTBRESA-N 1 0 209.333 3.673 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036959922 171390716 /nfs/dbraw/zinc/39/07/16/171390716.db2.gz XGZSOQKRHPOILA-DLOVCJGASA-N 1 0 209.333 3.673 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000036961130 384732238 /nfs/dbraw/zinc/73/22/38/384732238.db2.gz BQOXWHQXXXKKJZ-YPMHNXCESA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000036961132 384732925 /nfs/dbraw/zinc/73/29/25/384732925.db2.gz BQOXWHQXXXKKJZ-AAEUAGOBSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000036961134 384731298 /nfs/dbraw/zinc/73/12/98/384731298.db2.gz BQOXWHQXXXKKJZ-DGCLKSJQSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000036961136 398320903 /nfs/dbraw/zinc/32/09/03/398320903.db2.gz BQOXWHQXXXKKJZ-WCQYABFASA-N 1 0 235.371 3.700 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036961182 712518862 /nfs/dbraw/zinc/51/88/62/712518862.db2.gz NCJUWOIADUZUMR-OLZOCXBDSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036961184 712518698 /nfs/dbraw/zinc/51/86/98/712518698.db2.gz NCJUWOIADUZUMR-STQMWFEESA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036961185 712518864 /nfs/dbraw/zinc/51/88/64/712518864.db2.gz NCJUWOIADUZUMR-CHWSQXEVSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036961187 712518895 /nfs/dbraw/zinc/51/88/95/712518895.db2.gz NCJUWOIADUZUMR-QWHCGFSZSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000036968066 323099375 /nfs/dbraw/zinc/09/93/75/323099375.db2.gz SKGMIQJGWFJRJV-BXUZGUMPSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000036968068 323099365 /nfs/dbraw/zinc/09/93/65/323099365.db2.gz SKGMIQJGWFJRJV-SMDDNHRTSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000036968070 323099340 /nfs/dbraw/zinc/09/93/40/323099340.db2.gz SKGMIQJGWFJRJV-RISCZKNCSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000036968072 398136320 /nfs/dbraw/zinc/13/63/20/398136320.db2.gz SKGMIQJGWFJRJV-FZMZJTMJSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000036968179 323100347 /nfs/dbraw/zinc/10/03/47/323100347.db2.gz IWZKWDQUZXEMBV-NHYWBVRUSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000036968181 342722849 /nfs/dbraw/zinc/72/28/49/342722849.db2.gz IWZKWDQUZXEMBV-XHDPSFHLSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000036968183 262711226 /nfs/dbraw/zinc/71/12/26/262711226.db2.gz IWZKWDQUZXEMBV-ABAIWWIYSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000036968185 384183176 /nfs/dbraw/zinc/18/31/76/384183176.db2.gz IWZKWDQUZXEMBV-IAQYHMDHSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000036968271 388544002 /nfs/dbraw/zinc/54/40/02/388544002.db2.gz NAYFQQVNUHCEAD-AWEZNQCLSA-N 1 0 221.319 3.522 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000036968273 388544022 /nfs/dbraw/zinc/54/40/22/388544022.db2.gz NAYFQQVNUHCEAD-CQSZACIVSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968520 358464282 /nfs/dbraw/zinc/46/42/82/358464282.db2.gz YHTGKPAXKBZFAD-BXKDBHETSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968522 171347232 /nfs/dbraw/zinc/34/72/32/171347232.db2.gz YHTGKPAXKBZFAD-JOYOIKCWSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968524 358464195 /nfs/dbraw/zinc/46/41/95/358464195.db2.gz YHTGKPAXKBZFAD-SKDRFNHKSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968526 171349034 /nfs/dbraw/zinc/34/90/34/171349034.db2.gz YHTGKPAXKBZFAD-CABZTGNLSA-N 1 0 239.359 3.751 20 0 BHADRO CCCc1ccccc1NC1CC[NH+](CC)CC1 ZINC000036974275 388549262 /nfs/dbraw/zinc/54/92/62/388549262.db2.gz SECPSTFPWNPTGW-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO CCC[C@@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000036979433 388551477 /nfs/dbraw/zinc/55/14/77/388551477.db2.gz ZUVCBECIDMARSC-CYBMUJFWSA-N 1 0 234.387 3.596 20 0 BHADRO CCC[C@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000036979435 262961848 /nfs/dbraw/zinc/96/18/48/262961848.db2.gz ZUVCBECIDMARSC-ZDUSSCGKSA-N 1 0 234.387 3.596 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979451 388551587 /nfs/dbraw/zinc/55/15/87/388551587.db2.gz BTCPNVZVENROMK-CHWSQXEVSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979453 388551295 /nfs/dbraw/zinc/55/12/95/388551295.db2.gz BTCPNVZVENROMK-QWHCGFSZSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979455 388551634 /nfs/dbraw/zinc/55/16/34/388551634.db2.gz BTCPNVZVENROMK-OLZOCXBDSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979457 262961775 /nfs/dbraw/zinc/96/17/75/262961775.db2.gz BTCPNVZVENROMK-STQMWFEESA-N 1 0 234.387 3.595 20 0 BHADRO C[NH+](C)Cc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000036979477 358465826 /nfs/dbraw/zinc/46/58/26/358465826.db2.gz RGKAIISSBQYGLP-AWEZNQCLSA-N 1 0 244.382 3.516 20 0 BHADRO C[NH+](C)Cc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000036979479 358465865 /nfs/dbraw/zinc/46/58/65/358465865.db2.gz RGKAIISSBQYGLP-CQSZACIVSA-N 1 0 244.382 3.516 20 0 BHADRO CC1CCC(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000036979583 388551667 /nfs/dbraw/zinc/55/16/67/388551667.db2.gz FCXWKKYWZNNPJY-UHFFFAOYSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1cccc(NC2CCCCCC2)c1 ZINC000036979585 388551145 /nfs/dbraw/zinc/55/11/45/388551145.db2.gz CKETZDOLFUGRMN-UHFFFAOYSA-N 1 0 246.398 3.883 20 0 BHADRO C[C@@H]1CCCC[C@@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000036979605 388551482 /nfs/dbraw/zinc/55/14/82/388551482.db2.gz ISENGPXNVGVTFH-CJNGLKHVSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCCC[C@@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000036979607 388551708 /nfs/dbraw/zinc/55/17/08/388551708.db2.gz ISENGPXNVGVTFH-BBRMVZONSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H]1CCCC[C@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000036979608 388551440 /nfs/dbraw/zinc/55/14/40/388551440.db2.gz ISENGPXNVGVTFH-CZUORRHYSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCCC[C@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000036979610 388551466 /nfs/dbraw/zinc/55/14/66/388551466.db2.gz ISENGPXNVGVTFH-XJKSGUPXSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H]1CCC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000036979620 388551279 /nfs/dbraw/zinc/55/12/79/388551279.db2.gz WNSFCWPNBANULZ-HIFRSBDPSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000036979622 262961887 /nfs/dbraw/zinc/96/18/87/262961887.db2.gz WNSFCWPNBANULZ-ZFWWWQNUSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H]1CCC[C@@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000036979624 388551309 /nfs/dbraw/zinc/55/13/09/388551309.db2.gz WNSFCWPNBANULZ-UKRRQHHQSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCC[C@@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000036979626 388551025 /nfs/dbraw/zinc/55/10/25/388551025.db2.gz WNSFCWPNBANULZ-DZGCQCFKSA-N 1 0 246.398 3.739 20 0 BHADRO CCC(CC)CNc1cccc(C[NH+](C)C)c1 ZINC000036979665 388551269 /nfs/dbraw/zinc/55/12/69/388551269.db2.gz AEHPMHQJXIMDIM-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO CC(C)CC[C@@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979749 388551435 /nfs/dbraw/zinc/55/14/35/388551435.db2.gz KITLSYQXHMBNGR-CQSZACIVSA-N 1 0 248.414 3.985 20 0 BHADRO CC(C)CC[C@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979751 262961779 /nfs/dbraw/zinc/96/17/79/262961779.db2.gz KITLSYQXHMBNGR-AWEZNQCLSA-N 1 0 248.414 3.985 20 0 BHADRO CC(C)C[C@@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979842 388551035 /nfs/dbraw/zinc/55/10/35/388551035.db2.gz YJQKGAXJDZMNID-CYBMUJFWSA-N 1 0 234.387 3.595 20 0 BHADRO CC(C)C[C@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000036979844 388551252 /nfs/dbraw/zinc/55/12/52/388551252.db2.gz YJQKGAXJDZMNID-ZDUSSCGKSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000036981957 388551183 /nfs/dbraw/zinc/55/11/83/388551183.db2.gz DJQQMBTVOFAKQT-TUAOUCFPSA-N 1 0 249.354 3.501 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000036981959 388550912 /nfs/dbraw/zinc/55/09/12/388550912.db2.gz DJQQMBTVOFAKQT-SRVKXCTJSA-N 1 0 249.354 3.501 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)[C@@H]1C ZINC000036984071 262965160 /nfs/dbraw/zinc/96/51/60/262965160.db2.gz QLPGBCPLIXQRTD-GYSYKLTISA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)[C@@H]1C ZINC000036984073 388556604 /nfs/dbraw/zinc/55/66/04/388556604.db2.gz QLPGBCPLIXQRTD-JTNHKYCSSA-N 1 0 221.388 3.589 20 0 BHADRO Clc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000036984081 262965083 /nfs/dbraw/zinc/96/50/83/262965083.db2.gz QAFHHHFQSMCSLG-UHFFFAOYSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)C1(C)CC1 ZINC000036984270 712525538 /nfs/dbraw/zinc/52/55/38/712525538.db2.gz KMJZQJOSQHFVLJ-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)C1(C)CC1 ZINC000036984271 712525748 /nfs/dbraw/zinc/52/57/48/712525748.db2.gz KMJZQJOSQHFVLJ-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000036984322 712525585 /nfs/dbraw/zinc/52/55/85/712525585.db2.gz KTTXQWQVZLHMAA-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000036984323 712525755 /nfs/dbraw/zinc/52/57/55/712525755.db2.gz KTTXQWQVZLHMAA-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C1(C)CC1 ZINC000036984324 712525587 /nfs/dbraw/zinc/52/55/87/712525587.db2.gz KTTXQWQVZLHMAA-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000036984325 712525562 /nfs/dbraw/zinc/52/55/62/712525562.db2.gz KTTXQWQVZLHMAA-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036984326 712525583 /nfs/dbraw/zinc/52/55/83/712525583.db2.gz OOJSSLXTECJEGS-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036984327 712525513 /nfs/dbraw/zinc/52/55/13/712525513.db2.gz OOJSSLXTECJEGS-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036984328 712525511 /nfs/dbraw/zinc/52/55/11/712525511.db2.gz OOJSSLXTECJEGS-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036984329 712525661 /nfs/dbraw/zinc/52/56/61/712525661.db2.gz OOJSSLXTECJEGS-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)C1(C)CC1 ZINC000036984334 351541594 /nfs/dbraw/zinc/54/15/94/351541594.db2.gz FWTKOWSDKQWVCC-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C1(C)CC1 ZINC000036984335 351541659 /nfs/dbraw/zinc/54/16/59/351541659.db2.gz FWTKOWSDKQWVCC-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cccs2)s1 ZINC000036984619 384471018 /nfs/dbraw/zinc/47/10/18/384471018.db2.gz NIVOVHFYXSANJO-UHFFFAOYSA-N 1 0 237.393 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992101 347998808 /nfs/dbraw/zinc/99/88/08/347998808.db2.gz VTXODTOYRUXSIO-JGVFFNPUSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992102 347999095 /nfs/dbraw/zinc/99/90/95/347999095.db2.gz VTXODTOYRUXSIO-HTQZYQBOSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992103 347998875 /nfs/dbraw/zinc/99/88/75/347998875.db2.gz VTXODTOYRUXSIO-YUMQZZPRSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992104 347998963 /nfs/dbraw/zinc/99/89/63/347998963.db2.gz VTXODTOYRUXSIO-SFYZADRCSA-N 1 0 247.816 3.558 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000036992469 384470841 /nfs/dbraw/zinc/47/08/41/384470841.db2.gz GCUGKDTWBKITCP-NEPJUHHUSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000036992470 262965862 /nfs/dbraw/zinc/96/58/62/262965862.db2.gz GCUGKDTWBKITCP-RYUDHWBXSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000036992471 384469703 /nfs/dbraw/zinc/46/97/03/384469703.db2.gz GCUGKDTWBKITCP-VXGBXAGGSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000036992472 384469865 /nfs/dbraw/zinc/46/98/65/384469865.db2.gz GCUGKDTWBKITCP-NWDGAFQWSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000036992512 384470235 /nfs/dbraw/zinc/47/02/35/384470235.db2.gz BQKHZXMSYVVPOE-SDDRHHMPSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000036992514 262769657 /nfs/dbraw/zinc/76/96/57/262769657.db2.gz BQKHZXMSYVVPOE-SRVKXCTJSA-N 1 0 225.401 3.703 20 0 BHADRO CCCCCC[NH2+][C@@H](C)Cc1cccs1 ZINC000036992617 712526714 /nfs/dbraw/zinc/52/67/14/712526714.db2.gz SCZHHVCHSGVTEN-LBPRGKRZSA-N 1 0 225.401 3.849 20 0 BHADRO CCCCCC[NH2+][C@H](C)Cc1cccs1 ZINC000036992618 712526506 /nfs/dbraw/zinc/52/65/06/712526506.db2.gz SCZHHVCHSGVTEN-GFCCVEGCSA-N 1 0 225.401 3.849 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1CCC(C)CC1 ZINC000036992629 322902366 /nfs/dbraw/zinc/90/23/66/322902366.db2.gz RSNWCEJSHBYCDG-CPCZMJQVSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1CCC(C)CC1 ZINC000036992630 388558504 /nfs/dbraw/zinc/55/85/04/388558504.db2.gz RSNWCEJSHBYCDG-OTTFEQOBSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000036992916 712526509 /nfs/dbraw/zinc/52/65/09/712526509.db2.gz KJMQXLMOMGRZLK-NEPJUHHUSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000036992917 712526596 /nfs/dbraw/zinc/52/65/96/712526596.db2.gz KJMQXLMOMGRZLK-RYUDHWBXSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000036992918 200651716 /nfs/dbraw/zinc/65/17/16/200651716.db2.gz KJMQXLMOMGRZLK-VXGBXAGGSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000036992919 712527406 /nfs/dbraw/zinc/52/74/06/712527406.db2.gz KJMQXLMOMGRZLK-NWDGAFQWSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccco1 ZINC000036992986 343329836 /nfs/dbraw/zinc/32/98/36/343329836.db2.gz UOAAFIUPLVJMAR-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccco1 ZINC000036992987 343329484 /nfs/dbraw/zinc/32/94/84/343329484.db2.gz UOAAFIUPLVJMAR-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccco1 ZINC000036992988 343329712 /nfs/dbraw/zinc/32/97/12/343329712.db2.gz UOAAFIUPLVJMAR-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccco1 ZINC000036992989 343329491 /nfs/dbraw/zinc/32/94/91/343329491.db2.gz UOAAFIUPLVJMAR-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)o1 ZINC000036993014 388558910 /nfs/dbraw/zinc/55/89/10/388558910.db2.gz FJYOZWADRCYMIH-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccs2)o1 ZINC000036993015 388558686 /nfs/dbraw/zinc/55/86/86/388558686.db2.gz FJYOZWADRCYMIH-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cccs2)o1 ZINC000036993016 388558316 /nfs/dbraw/zinc/55/83/16/388558316.db2.gz FJYOZWADRCYMIH-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccs2)o1 ZINC000036993017 388558839 /nfs/dbraw/zinc/55/88/39/388558839.db2.gz FJYOZWADRCYMIH-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993364 712527126 /nfs/dbraw/zinc/52/71/26/712527126.db2.gz FKSXIFPDBWIHGZ-OLZOCXBDSA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993365 712527378 /nfs/dbraw/zinc/52/73/78/712527378.db2.gz FKSXIFPDBWIHGZ-STQMWFEESA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993366 712527324 /nfs/dbraw/zinc/52/73/24/712527324.db2.gz FKSXIFPDBWIHGZ-CHWSQXEVSA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993367 712527226 /nfs/dbraw/zinc/52/72/26/712527226.db2.gz FKSXIFPDBWIHGZ-QWHCGFSZSA-N 1 0 223.360 3.769 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993647 712527209 /nfs/dbraw/zinc/52/72/09/712527209.db2.gz AJWSRGBXJPRSTH-OLZOCXBDSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993648 712527148 /nfs/dbraw/zinc/52/71/48/712527148.db2.gz AJWSRGBXJPRSTH-STQMWFEESA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993649 712527240 /nfs/dbraw/zinc/52/72/40/712527240.db2.gz AJWSRGBXJPRSTH-CHWSQXEVSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993650 712527295 /nfs/dbraw/zinc/52/72/95/712527295.db2.gz AJWSRGBXJPRSTH-QWHCGFSZSA-N 1 0 223.360 3.625 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993721 712528586 /nfs/dbraw/zinc/52/85/86/712528586.db2.gz CTOSXRDINHXXJF-LBPRGKRZSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)Cc1ccco1 ZINC000036993722 712528881 /nfs/dbraw/zinc/52/88/81/712528881.db2.gz CTOSXRDINHXXJF-GFCCVEGCSA-N 1 0 223.360 3.769 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)s1 ZINC000036993731 712528886 /nfs/dbraw/zinc/52/88/86/712528886.db2.gz UXNUAPPZSVVSDP-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)s1 ZINC000036993732 712528954 /nfs/dbraw/zinc/52/89/54/712528954.db2.gz UXNUAPPZSVVSDP-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)s1 ZINC000036993733 712528830 /nfs/dbraw/zinc/52/88/30/712528830.db2.gz UXNUAPPZSVVSDP-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)s1 ZINC000036993734 712528723 /nfs/dbraw/zinc/52/87/23/712528723.db2.gz UXNUAPPZSVVSDP-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993785 712528661 /nfs/dbraw/zinc/52/86/61/712528661.db2.gz UWCBQABBYSXLHZ-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000036993786 712528907 /nfs/dbraw/zinc/52/89/07/712528907.db2.gz UWCBQABBYSXLHZ-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993787 712528820 /nfs/dbraw/zinc/52/88/20/712528820.db2.gz UWCBQABBYSXLHZ-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000036993788 712528872 /nfs/dbraw/zinc/52/88/72/712528872.db2.gz UWCBQABBYSXLHZ-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccs1 ZINC000036993801 712528810 /nfs/dbraw/zinc/52/88/10/712528810.db2.gz GQKDCGJIIMLNIY-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccs1 ZINC000036993802 712528846 /nfs/dbraw/zinc/52/88/46/712528846.db2.gz GQKDCGJIIMLNIY-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccs1 ZINC000036993803 712528946 /nfs/dbraw/zinc/52/89/46/712528946.db2.gz GQKDCGJIIMLNIY-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccs1 ZINC000036993804 712528779 /nfs/dbraw/zinc/52/87/79/712528779.db2.gz GQKDCGJIIMLNIY-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)cc1 ZINC000036993829 712528593 /nfs/dbraw/zinc/52/85/93/712528593.db2.gz AXGXDTPQWSXBRQ-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)cc1 ZINC000036993830 712528895 /nfs/dbraw/zinc/52/88/95/712528895.db2.gz AXGXDTPQWSXBRQ-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)cc1 ZINC000036993831 712528974 /nfs/dbraw/zinc/52/89/74/712528974.db2.gz AXGXDTPQWSXBRQ-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)cc1 ZINC000036993832 712528879 /nfs/dbraw/zinc/52/88/79/712528879.db2.gz AXGXDTPQWSXBRQ-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1F ZINC000036993839 712528858 /nfs/dbraw/zinc/52/88/58/712528858.db2.gz YMAAFWMESAJFMK-RYUDHWBXSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1F ZINC000036993840 712528839 /nfs/dbraw/zinc/52/88/39/712528839.db2.gz YMAAFWMESAJFMK-NEPJUHHUSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1F ZINC000036993841 712528885 /nfs/dbraw/zinc/52/88/85/712528885.db2.gz YMAAFWMESAJFMK-NWDGAFQWSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccccc1F ZINC000036993842 712528803 /nfs/dbraw/zinc/52/88/03/712528803.db2.gz YMAAFWMESAJFMK-VXGBXAGGSA-N 1 0 247.313 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1 ZINC000036993992 712528988 /nfs/dbraw/zinc/52/89/88/712528988.db2.gz WCHARKYPZPZPJZ-BBRMVZONSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1 ZINC000036993993 712528850 /nfs/dbraw/zinc/52/88/50/712528850.db2.gz WCHARKYPZPZPJZ-XJKSGUPXSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccco1)c1ccccc1 ZINC000036993994 712528625 /nfs/dbraw/zinc/52/86/25/712528625.db2.gz WCHARKYPZPZPJZ-CJNGLKHVSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccco1)c1ccccc1 ZINC000036993995 712528857 /nfs/dbraw/zinc/52/88/57/712528857.db2.gz WCHARKYPZPZPJZ-CZUORRHYSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000036994175 712528937 /nfs/dbraw/zinc/52/89/37/712528937.db2.gz XUVAIEUXIQLAGO-RYUDHWBXSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000036994177 712528747 /nfs/dbraw/zinc/52/87/47/712528747.db2.gz XUVAIEUXIQLAGO-NEPJUHHUSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccc(F)c1 ZINC000036994179 712528887 /nfs/dbraw/zinc/52/88/87/712528887.db2.gz XUVAIEUXIQLAGO-NWDGAFQWSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(F)c1 ZINC000036994181 712528849 /nfs/dbraw/zinc/52/88/49/712528849.db2.gz XUVAIEUXIQLAGO-VXGBXAGGSA-N 1 0 247.313 3.701 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c(C)o1 ZINC000036994218 712528590 /nfs/dbraw/zinc/52/85/90/712528590.db2.gz IGMLCHCADRYTLO-CMPLNLGQSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c(C)o1 ZINC000036994220 712528975 /nfs/dbraw/zinc/52/89/75/712528975.db2.gz IGMLCHCADRYTLO-JQWIXIFHSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c(C)o1 ZINC000036994223 712528695 /nfs/dbraw/zinc/52/86/95/712528695.db2.gz IGMLCHCADRYTLO-ZYHUDNBSSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccco2)c(C)o1 ZINC000036994225 712528896 /nfs/dbraw/zinc/52/88/96/712528896.db2.gz IGMLCHCADRYTLO-PWSUYJOCSA-N 1 0 247.338 3.771 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000036994552 388564593 /nfs/dbraw/zinc/56/45/93/388564593.db2.gz ZCRBUYWNWSMEQN-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000036994553 388564822 /nfs/dbraw/zinc/56/48/22/388564822.db2.gz ZCRBUYWNWSMEQN-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000036994578 388565074 /nfs/dbraw/zinc/56/50/74/388565074.db2.gz ZEICGZIVGQEIKD-ZIAGYGMSSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000036994579 262968965 /nfs/dbraw/zinc/96/89/65/262968965.db2.gz ZEICGZIVGQEIKD-KGLIPLIRSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000036994580 388565158 /nfs/dbraw/zinc/56/51/58/388565158.db2.gz ZEICGZIVGQEIKD-UONOGXRCSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000036994581 262969170 /nfs/dbraw/zinc/96/91/70/262969170.db2.gz ZEICGZIVGQEIKD-KBPBESRZSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000036994773 167134281 /nfs/dbraw/zinc/13/42/81/167134281.db2.gz WESGNFHAEJAYHQ-ZDUSSCGKSA-N 1 0 205.345 3.772 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000036994774 167139597 /nfs/dbraw/zinc/13/95/97/167139597.db2.gz WESGNFHAEJAYHQ-CYBMUJFWSA-N 1 0 205.345 3.772 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000036994791 386453203 /nfs/dbraw/zinc/45/32/03/386453203.db2.gz WCJMRPSSXVIVAX-CQSZACIVSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000036994792 386453190 /nfs/dbraw/zinc/45/31/90/386453190.db2.gz WCJMRPSSXVIVAX-AWEZNQCLSA-N 1 0 217.356 3.773 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000036994981 386451842 /nfs/dbraw/zinc/45/18/42/386451842.db2.gz AWDMWCKAQASEOE-AWEZNQCLSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1ccccc1OC ZINC000036994982 386451855 /nfs/dbraw/zinc/45/18/55/386451855.db2.gz AWDMWCKAQASEOE-CQSZACIVSA-N 1 0 235.371 3.926 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995001 358465697 /nfs/dbraw/zinc/46/56/97/358465697.db2.gz HNZJDDFCNXGYJT-OCCSQVGLSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995002 171287222 /nfs/dbraw/zinc/28/72/22/171287222.db2.gz HNZJDDFCNXGYJT-JSGCOSHPSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)c1ccccc1OC ZINC000036995003 170709333 /nfs/dbraw/zinc/70/93/33/170709333.db2.gz HNZJDDFCNXGYJT-TZMCWYRMSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccccc1OC ZINC000036995004 171287838 /nfs/dbraw/zinc/28/78/38/171287838.db2.gz HNZJDDFCNXGYJT-GXTWGEPZSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995091 358466043 /nfs/dbraw/zinc/46/60/43/358466043.db2.gz ZYGSNBJPVVWWOC-YPMHNXCESA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995092 171346277 /nfs/dbraw/zinc/34/62/77/171346277.db2.gz ZYGSNBJPVVWWOC-AAEUAGOBSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000036995093 346671830 /nfs/dbraw/zinc/67/18/30/346671830.db2.gz ZYGSNBJPVVWWOC-DGCLKSJQSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1OC ZINC000036995094 171348025 /nfs/dbraw/zinc/34/80/25/171348025.db2.gz ZYGSNBJPVVWWOC-WCQYABFASA-N 1 0 221.344 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995097 712528970 /nfs/dbraw/zinc/52/89/70/712528970.db2.gz FRJIFMJHHGSYCO-OCCSQVGLSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995098 712528966 /nfs/dbraw/zinc/52/89/66/712528966.db2.gz FRJIFMJHHGSYCO-JSGCOSHPSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000036995099 712528928 /nfs/dbraw/zinc/52/89/28/712528928.db2.gz FRJIFMJHHGSYCO-TZMCWYRMSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000036995100 712528676 /nfs/dbraw/zinc/52/86/76/712528676.db2.gz FRJIFMJHHGSYCO-GXTWGEPZSA-N 1 0 235.371 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1OC ZINC000036995111 358465754 /nfs/dbraw/zinc/46/57/54/358465754.db2.gz MGVISICMEZHVSL-JSGCOSHPSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1OC ZINC000036995112 358465833 /nfs/dbraw/zinc/46/58/33/358465833.db2.gz MGVISICMEZHVSL-GXTWGEPZSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1OC ZINC000036995113 171543817 /nfs/dbraw/zinc/54/38/17/171543817.db2.gz MGVISICMEZHVSL-OCCSQVGLSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1OC ZINC000036995114 358465261 /nfs/dbraw/zinc/46/52/61/358465261.db2.gz MGVISICMEZHVSL-TZMCWYRMSA-N 1 0 235.371 3.780 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995143 712528796 /nfs/dbraw/zinc/52/87/96/712528796.db2.gz KLBADKBEPYNLIK-AWEZNQCLSA-N 1 0 235.371 3.925 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1ccccc1OC ZINC000036995144 712528802 /nfs/dbraw/zinc/52/88/02/712528802.db2.gz KLBADKBEPYNLIK-CQSZACIVSA-N 1 0 235.371 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1OC ZINC000036995153 171536299 /nfs/dbraw/zinc/53/62/99/171536299.db2.gz FPBQJQKXYLXLEK-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1OC ZINC000036995154 358465986 /nfs/dbraw/zinc/46/59/86/358465986.db2.gz FPBQJQKXYLXLEK-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1OC ZINC000036995155 171544264 /nfs/dbraw/zinc/54/42/64/171544264.db2.gz FPBQJQKXYLXLEK-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1OC ZINC000036995156 358466034 /nfs/dbraw/zinc/46/60/34/358466034.db2.gz FPBQJQKXYLXLEK-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000036997436 167307947 /nfs/dbraw/zinc/30/79/47/167307947.db2.gz HWCZWKLLOVCYFN-QWHCGFSZSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000036997437 167307690 /nfs/dbraw/zinc/30/76/90/167307690.db2.gz HWCZWKLLOVCYFN-STQMWFEESA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000036997438 167308120 /nfs/dbraw/zinc/30/81/20/167308120.db2.gz HWCZWKLLOVCYFN-CHWSQXEVSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000036997439 167308732 /nfs/dbraw/zinc/30/87/32/167308732.db2.gz HWCZWKLLOVCYFN-OLZOCXBDSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC2CC2)c1 ZINC000036997472 167308107 /nfs/dbraw/zinc/30/81/07/167308107.db2.gz IBHANLRFNMIMGJ-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC2CC2)c1 ZINC000036997473 167309025 /nfs/dbraw/zinc/30/90/25/167309025.db2.gz IBHANLRFNMIMGJ-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)C[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000036997711 384470056 /nfs/dbraw/zinc/47/00/56/384470056.db2.gz JOWLMPAMILHNPD-NSHDSACASA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)C[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000036997712 384470263 /nfs/dbraw/zinc/47/02/63/384470263.db2.gz JOWLMPAMILHNPD-LLVKDONJSA-N 1 0 225.763 3.517 20 0 BHADRO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC1 ZINC000036997960 323203967 /nfs/dbraw/zinc/20/39/67/323203967.db2.gz KNEXNXDWIPIYPZ-QWRGUYRKSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC1 ZINC000036997961 323203897 /nfs/dbraw/zinc/20/38/97/323203897.db2.gz KNEXNXDWIPIYPZ-MNOVXSKESA-N 1 0 237.774 3.659 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)C1CC1 ZINC000036997962 323203982 /nfs/dbraw/zinc/20/39/82/323203982.db2.gz KNEXNXDWIPIYPZ-WDEREUQCSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)C1CC1 ZINC000036997963 323203965 /nfs/dbraw/zinc/20/39/65/323203965.db2.gz KNEXNXDWIPIYPZ-GHMZBOCLSA-N 1 0 237.774 3.659 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000037021601 175352494 /nfs/dbraw/zinc/35/24/94/175352494.db2.gz PYWDRVCUDFTXSM-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000037021602 175352354 /nfs/dbraw/zinc/35/23/54/175352354.db2.gz PYWDRVCUDFTXSM-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000037021605 175190210 /nfs/dbraw/zinc/19/02/10/175190210.db2.gz BAOLCLLEHMLGMG-WWGRRREGSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000037021606 175189724 /nfs/dbraw/zinc/18/97/24/175189724.db2.gz BAOLCLLEHMLGMG-DVOMOZLQSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000037021609 175293107 /nfs/dbraw/zinc/29/31/07/175293107.db2.gz UZVQAHOLXUXEKN-WWGRRREGSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000037021610 175293762 /nfs/dbraw/zinc/29/37/62/175293762.db2.gz UZVQAHOLXUXEKN-DVOMOZLQSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccccn1 ZINC000037021637 388581331 /nfs/dbraw/zinc/58/13/31/388581331.db2.gz ZIDLBUITNRQLAA-FVQBIDKESA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccccn1 ZINC000037021639 388581107 /nfs/dbraw/zinc/58/11/07/388581107.db2.gz ZIDLBUITNRQLAA-VNQPRFMTSA-N 1 0 246.398 3.632 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000037021660 175109972 /nfs/dbraw/zinc/10/99/72/175109972.db2.gz XGVSTUXTRJOQDM-XJKCOSOUSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000037021661 175110611 /nfs/dbraw/zinc/11/06/11/175110611.db2.gz XGVSTUXTRJOQDM-WOSRLPQWSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000037021664 175266997 /nfs/dbraw/zinc/26/69/97/175266997.db2.gz LXQPLSCIKLOPGU-XJKCOSOUSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000037021665 175266597 /nfs/dbraw/zinc/26/65/97/175266597.db2.gz LXQPLSCIKLOPGU-WOSRLPQWSA-N 1 0 247.382 3.610 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000037021678 358466305 /nfs/dbraw/zinc/46/63/05/358466305.db2.gz GJPVEONAHLBOOS-VHRBIJSZSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000037021680 358466991 /nfs/dbraw/zinc/46/69/91/358466991.db2.gz GJPVEONAHLBOOS-SCDSUCTJSA-N 1 0 221.344 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000037031635 170967499 /nfs/dbraw/zinc/96/74/99/170967499.db2.gz AXWPMRNQFWLXRB-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000037031637 343331667 /nfs/dbraw/zinc/33/16/67/343331667.db2.gz AXWPMRNQFWLXRB-GZBFAFLISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000037031993 343331856 /nfs/dbraw/zinc/33/18/56/343331856.db2.gz ZXWCIHHXEXIMND-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000037031995 343331668 /nfs/dbraw/zinc/33/16/68/343331668.db2.gz ZXWCIHHXEXIMND-GZBFAFLISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000037031997 343331616 /nfs/dbraw/zinc/33/16/16/343331616.db2.gz YQEBCAFURBHFET-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000037031999 343331715 /nfs/dbraw/zinc/33/17/15/343331715.db2.gz YQEBCAFURBHFET-GZBFAFLISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccco1 ZINC000037032080 324223463 /nfs/dbraw/zinc/22/34/63/324223463.db2.gz XOTXYCBIFZDCBT-XQQFMLRXSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000037032082 324223830 /nfs/dbraw/zinc/22/38/30/324223830.db2.gz XOTXYCBIFZDCBT-YNEHKIRRSA-N 1 0 221.344 3.899 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCSC1 ZINC000037033638 324223476 /nfs/dbraw/zinc/22/34/76/324223476.db2.gz NEMNNWGWDGNAPD-AAVRWANBSA-N 1 0 241.444 3.542 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000037062595 358468012 /nfs/dbraw/zinc/46/80/12/358468012.db2.gz AADFEHNOVYPQQS-DOMZBBRYSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000037062596 171286516 /nfs/dbraw/zinc/28/65/16/171286516.db2.gz AADFEHNOVYPQQS-WFASDCNBSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000037062597 358467949 /nfs/dbraw/zinc/46/79/49/358467949.db2.gz AADFEHNOVYPQQS-IUODEOHRSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccc(OC)cc1 ZINC000037062598 171288344 /nfs/dbraw/zinc/28/83/44/171288344.db2.gz AADFEHNOVYPQQS-SWLSCSKDSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(OC)cc1 ZINC000037062617 712531650 /nfs/dbraw/zinc/53/16/50/712531650.db2.gz UJEUVJOIUWHHLF-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(OC)cc1 ZINC000037062618 712531694 /nfs/dbraw/zinc/53/16/94/712531694.db2.gz UJEUVJOIUWHHLF-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(OC)cc1 ZINC000037062619 712531702 /nfs/dbraw/zinc/53/17/02/712531702.db2.gz UJEUVJOIUWHHLF-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(OC)cc1 ZINC000037062620 712531670 /nfs/dbraw/zinc/53/16/70/712531670.db2.gz UJEUVJOIUWHHLF-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000037074594 171285716 /nfs/dbraw/zinc/28/57/16/171285716.db2.gz RNVJHNXAJOBHMN-QWRGUYRKSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000037074595 170709507 /nfs/dbraw/zinc/70/95/07/170709507.db2.gz RNVJHNXAJOBHMN-GHMZBOCLSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000037074596 171286994 /nfs/dbraw/zinc/28/69/94/171286994.db2.gz RNVJHNXAJOBHMN-WDEREUQCSA-N 1 0 239.334 3.531 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075039 324252790 /nfs/dbraw/zinc/25/27/90/324252790.db2.gz IJRJNCIJOASVKT-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075040 324253240 /nfs/dbraw/zinc/25/32/40/324253240.db2.gz IJRJNCIJOASVKT-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075059 324252975 /nfs/dbraw/zinc/25/29/75/324252975.db2.gz XKARXBPOWXWRMW-DOMZBBRYSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075060 324253021 /nfs/dbraw/zinc/25/30/21/324253021.db2.gz XKARXBPOWXWRMW-WFASDCNBSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075061 324253053 /nfs/dbraw/zinc/25/30/53/324253053.db2.gz XKARXBPOWXWRMW-IUODEOHRSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075062 324253213 /nfs/dbraw/zinc/25/32/13/324253213.db2.gz XKARXBPOWXWRMW-SWLSCSKDSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075197 384472679 /nfs/dbraw/zinc/47/26/79/384472679.db2.gz ZWFYPFUVOYBJMN-RISCZKNCSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075198 384473726 /nfs/dbraw/zinc/47/37/26/384473726.db2.gz ZWFYPFUVOYBJMN-FZMZJTMJSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075200 322826756 /nfs/dbraw/zinc/82/67/56/322826756.db2.gz ZWFYPFUVOYBJMN-BXUZGUMPSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075201 384471922 /nfs/dbraw/zinc/47/19/22/384471922.db2.gz ZWFYPFUVOYBJMN-SMDDNHRTSA-N 1 0 203.329 3.526 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075204 324253071 /nfs/dbraw/zinc/25/30/71/324253071.db2.gz GHDPNRFFVLKPFK-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075205 323152681 /nfs/dbraw/zinc/15/26/81/323152681.db2.gz GHDPNRFFVLKPFK-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075206 323152679 /nfs/dbraw/zinc/15/26/79/323152679.db2.gz GHDPNRFFVLKPFK-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075207 323152642 /nfs/dbraw/zinc/15/26/42/323152642.db2.gz GHDPNRFFVLKPFK-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075229 324253003 /nfs/dbraw/zinc/25/30/03/324253003.db2.gz ILCFOQCQHAPMCM-DOMZBBRYSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075231 324253135 /nfs/dbraw/zinc/25/31/35/324253135.db2.gz ILCFOQCQHAPMCM-WFASDCNBSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075233 324252785 /nfs/dbraw/zinc/25/27/85/324252785.db2.gz ILCFOQCQHAPMCM-IUODEOHRSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075235 324253049 /nfs/dbraw/zinc/25/30/49/324253049.db2.gz ILCFOQCQHAPMCM-SWLSCSKDSA-N 1 0 217.356 3.772 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075290 324252779 /nfs/dbraw/zinc/25/27/79/324252779.db2.gz LEJJXJWCPYJKJA-HNNXBMFYSA-N 1 0 217.356 3.916 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075291 324252822 /nfs/dbraw/zinc/25/28/22/324252822.db2.gz LEJJXJWCPYJKJA-OAHLLOKOSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000037075296 176892004 /nfs/dbraw/zinc/89/20/04/176892004.db2.gz LSGCTCBVFVCDQA-NHYWBVRUSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000037075297 175911352 /nfs/dbraw/zinc/91/13/52/175911352.db2.gz LSGCTCBVFVCDQA-ABAIWWIYSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000037075298 344488596 /nfs/dbraw/zinc/48/85/96/344488596.db2.gz LSGCTCBVFVCDQA-XHDPSFHLSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000037075299 175922802 /nfs/dbraw/zinc/92/28/02/175922802.db2.gz LSGCTCBVFVCDQA-IAQYHMDHSA-N 1 0 215.340 3.526 20 0 BHADRO CC[NH+](CC)Cc1cccc(NC2CCCC2)c1 ZINC000037086784 324260218 /nfs/dbraw/zinc/26/02/18/324260218.db2.gz FBWYGCCFYNSFRQ-UHFFFAOYSA-N 1 0 246.398 3.883 20 0 BHADRO CC[NH+](CC)Cc1cccc(NCC(C)C)c1 ZINC000037086805 358467435 /nfs/dbraw/zinc/46/74/35/358467435.db2.gz VGUSRJUNAYBUKG-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)C(C)C)c1 ZINC000037086839 324260507 /nfs/dbraw/zinc/26/05/07/324260507.db2.gz HCXWJVYRNFVCJA-AWEZNQCLSA-N 1 0 248.414 3.985 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@H](C)C(C)C)c1 ZINC000037086840 324260602 /nfs/dbraw/zinc/26/06/02/324260602.db2.gz HCXWJVYRNFVCJA-CQSZACIVSA-N 1 0 248.414 3.985 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)C2CC2)c1 ZINC000037086850 324260310 /nfs/dbraw/zinc/26/03/10/324260310.db2.gz VNPJGAFYHTYPJE-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@H](C)C2CC2)c1 ZINC000037086851 324260362 /nfs/dbraw/zinc/26/03/62/324260362.db2.gz VNPJGAFYHTYPJE-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO CCCCNc1cccc(C[NH+](CC)CC)c1 ZINC000037086870 712532899 /nfs/dbraw/zinc/53/28/99/712532899.db2.gz RBASANGFTDIMKD-UHFFFAOYSA-N 1 0 234.387 3.740 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089670 324261403 /nfs/dbraw/zinc/26/14/03/324261403.db2.gz DTLDVIYDFOMOCU-MNOVXSKESA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089671 324261245 /nfs/dbraw/zinc/26/12/45/324261245.db2.gz DTLDVIYDFOMOCU-QWRGUYRKSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089672 324261106 /nfs/dbraw/zinc/26/11/06/324261106.db2.gz DTLDVIYDFOMOCU-GHMZBOCLSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089673 324261284 /nfs/dbraw/zinc/26/12/84/324261284.db2.gz DTLDVIYDFOMOCU-WDEREUQCSA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(C)C ZINC000037089793 324262061 /nfs/dbraw/zinc/26/20/61/324262061.db2.gz OVEVRHUYNRMORC-NSHDSACASA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(C)C ZINC000037089794 324262470 /nfs/dbraw/zinc/26/24/70/324262470.db2.gz OVEVRHUYNRMORC-LLVKDONJSA-N 1 0 239.334 3.531 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089869 324262376 /nfs/dbraw/zinc/26/23/76/324262376.db2.gz VRXCMIIAHWZENS-MNOVXSKESA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089870 324261904 /nfs/dbraw/zinc/26/19/04/324261904.db2.gz VRXCMIIAHWZENS-QWRGUYRKSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089871 324262517 /nfs/dbraw/zinc/26/25/17/324262517.db2.gz VRXCMIIAHWZENS-GHMZBOCLSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089872 324262267 /nfs/dbraw/zinc/26/22/67/324262267.db2.gz VRXCMIIAHWZENS-WDEREUQCSA-N 1 0 239.334 3.674 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000037089887 324262032 /nfs/dbraw/zinc/26/20/32/324262032.db2.gz FRQKYFXTFRDEEV-MNOVXSKESA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000037089888 324262341 /nfs/dbraw/zinc/26/23/41/324262341.db2.gz FRQKYFXTFRDEEV-QWRGUYRKSA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000037089889 324261937 /nfs/dbraw/zinc/26/19/37/324261937.db2.gz FRQKYFXTFRDEEV-GHMZBOCLSA-N 1 0 239.334 3.529 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000037089890 324262029 /nfs/dbraw/zinc/26/20/29/324262029.db2.gz FRQKYFXTFRDEEV-WDEREUQCSA-N 1 0 239.334 3.529 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089919 324261993 /nfs/dbraw/zinc/26/19/93/324261993.db2.gz SBNLNNAHHBFHIX-JTQLQIEISA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089920 324262146 /nfs/dbraw/zinc/26/21/46/324262146.db2.gz SBNLNNAHHBFHIX-SNVBAGLBSA-N 1 0 239.334 3.674 20 0 BHADRO CCCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092454 712536488 /nfs/dbraw/zinc/53/64/88/712536488.db2.gz POCKTFDASHXQCD-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092467 324263381 /nfs/dbraw/zinc/26/33/81/324263381.db2.gz SFPZXBQEUPALDE-KPPDAEKUSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092468 324262940 /nfs/dbraw/zinc/26/29/40/324262940.db2.gz SFPZXBQEUPALDE-WHXUTIOJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1(C)CC1 ZINC000037092551 387560785 /nfs/dbraw/zinc/56/07/85/387560785.db2.gz OMQJJFQZJQVCNA-WHXUTIOJSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1(C)CC1 ZINC000037092552 175859370 /nfs/dbraw/zinc/85/93/70/175859370.db2.gz OMQJJFQZJQVCNA-KPPDAEKUSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092564 352732271 /nfs/dbraw/zinc/73/22/71/352732271.db2.gz XLPUWRCZXRUZDQ-KPPDAEKUSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092565 352732901 /nfs/dbraw/zinc/73/29/01/352732901.db2.gz XLPUWRCZXRUZDQ-WHXUTIOJSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092600 324263098 /nfs/dbraw/zinc/26/30/98/324263098.db2.gz JQLOXBSYPWSBJT-UHFFFAOYSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099786 358065021 /nfs/dbraw/zinc/06/50/21/358065021.db2.gz KXUNQIIUHBNGBD-OUAUKWLOSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099787 358064749 /nfs/dbraw/zinc/06/47/49/358064749.db2.gz KXUNQIIUHBNGBD-GARJFASQSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099863 324270147 /nfs/dbraw/zinc/27/01/47/324270147.db2.gz POOCFQQDCQBIRI-WDEREUQCSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1noc(C)c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000037100907 387559796 /nfs/dbraw/zinc/55/97/96/387559796.db2.gz YQPMKPWWDHYTQJ-UHFFFAOYSA-N 1 0 238.375 3.596 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CC)cc1 ZINC000037107884 324278494 /nfs/dbraw/zinc/27/84/94/324278494.db2.gz AFPQVHRXLCGQOE-OLZOCXBDSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CC)cc1 ZINC000037107885 324278396 /nfs/dbraw/zinc/27/83/96/324278396.db2.gz AFPQVHRXLCGQOE-STQMWFEESA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CC)cc1 ZINC000037107886 324278651 /nfs/dbraw/zinc/27/86/51/324278651.db2.gz AFPQVHRXLCGQOE-CHWSQXEVSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC)cc1 ZINC000037107887 323173641 /nfs/dbraw/zinc/17/36/41/323173641.db2.gz AFPQVHRXLCGQOE-QWHCGFSZSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000037107906 712542278 /nfs/dbraw/zinc/54/22/78/712542278.db2.gz SMLJIYIQJXVXNS-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000037107907 712542168 /nfs/dbraw/zinc/54/21/68/712542168.db2.gz SMLJIYIQJXVXNS-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000037107908 712542247 /nfs/dbraw/zinc/54/22/47/712542247.db2.gz SMLJIYIQJXVXNS-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000037107909 712542119 /nfs/dbraw/zinc/54/21/19/712542119.db2.gz SMLJIYIQJXVXNS-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1(C)CC1 ZINC000037117178 387559965 /nfs/dbraw/zinc/55/99/65/387559965.db2.gz FRBPGBTXRJZZAD-SWLSCSKDSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1(C)CC1 ZINC000037117179 358467976 /nfs/dbraw/zinc/46/79/76/358467976.db2.gz FRBPGBTXRJZZAD-IUODEOHRSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000037117180 176922701 /nfs/dbraw/zinc/92/27/01/176922701.db2.gz FRBPGBTXRJZZAD-WFASDCNBSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000037117181 358467641 /nfs/dbraw/zinc/46/76/41/358467641.db2.gz FRBPGBTXRJZZAD-DOMZBBRYSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000037117313 176921544 /nfs/dbraw/zinc/92/15/44/176921544.db2.gz KZNYBXMFPSLVNP-WOPDTQHZSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000037117315 384481061 /nfs/dbraw/zinc/48/10/61/384481061.db2.gz KZNYBXMFPSLVNP-GRYCIOLGSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)c1ccco1 ZINC000037117317 322826985 /nfs/dbraw/zinc/82/69/85/322826985.db2.gz OWHPRLCAEQGBAP-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)c1ccco1 ZINC000037117318 322826924 /nfs/dbraw/zinc/82/69/24/322826924.db2.gz OWHPRLCAEQGBAP-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000037117886 358467556 /nfs/dbraw/zinc/46/75/56/358467556.db2.gz YVXPQFYZZCUIJA-DYEKYZERSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000037117889 324296976 /nfs/dbraw/zinc/29/69/76/324296976.db2.gz YVXPQFYZZCUIJA-OBJOEFQTSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000037117892 387559451 /nfs/dbraw/zinc/55/94/51/387559451.db2.gz YVXPQFYZZCUIJA-MBNYWOFBSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000037117893 324297101 /nfs/dbraw/zinc/29/71/01/324297101.db2.gz YVXPQFYZZCUIJA-SGMGOOAPSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)c1cccc(O)c1 ZINC000037117946 324296702 /nfs/dbraw/zinc/29/67/02/324296702.db2.gz YTKPJBTXPQAEOQ-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(O)c1 ZINC000037117948 324296658 /nfs/dbraw/zinc/29/66/58/324296658.db2.gz YTKPJBTXPQAEOQ-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037118099 205484379 /nfs/dbraw/zinc/48/43/79/205484379.db2.gz WNDBAWVVTGFZLZ-UONOGXRCSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037118100 712545723 /nfs/dbraw/zinc/54/57/23/712545723.db2.gz WNDBAWVVTGFZLZ-KBPBESRZSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037118102 187632767 /nfs/dbraw/zinc/63/27/67/187632767.db2.gz WNDBAWVVTGFZLZ-KGLIPLIRSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000037118127 188113268 /nfs/dbraw/zinc/11/32/68/188113268.db2.gz VBIFVTZIMNCKGN-NEPJUHHUSA-N 1 0 249.354 3.501 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000037118128 353472353 /nfs/dbraw/zinc/47/23/53/353472353.db2.gz VBIFVTZIMNCKGN-RYUDHWBXSA-N 1 0 249.354 3.501 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037118129 188286056 /nfs/dbraw/zinc/28/60/56/188286056.db2.gz VBIFVTZIMNCKGN-VXGBXAGGSA-N 1 0 249.354 3.501 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037118130 398242405 /nfs/dbraw/zinc/24/24/05/398242405.db2.gz VBIFVTZIMNCKGN-NWDGAFQWSA-N 1 0 249.354 3.501 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000037118135 712545528 /nfs/dbraw/zinc/54/55/28/712545528.db2.gz PFLDCCWGWRWTNK-CMPLNLGQSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000037118136 712545463 /nfs/dbraw/zinc/54/54/63/712545463.db2.gz PFLDCCWGWRWTNK-JQWIXIFHSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000037118137 712545783 /nfs/dbraw/zinc/54/57/83/712545783.db2.gz PFLDCCWGWRWTNK-ZYHUDNBSSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000037118138 712545815 /nfs/dbraw/zinc/54/58/15/712545815.db2.gz PFLDCCWGWRWTNK-PWSUYJOCSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)C1CC1 ZINC000037118558 178292773 /nfs/dbraw/zinc/29/27/73/178292773.db2.gz BZPKIVFWENVADE-FZMZJTMJSA-N 1 0 247.382 3.990 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)C1CC1 ZINC000037118559 178292541 /nfs/dbraw/zinc/29/25/41/178292541.db2.gz BZPKIVFWENVADE-SMDDNHRTSA-N 1 0 247.382 3.990 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)C1CC1 ZINC000037118560 178293161 /nfs/dbraw/zinc/29/31/61/178293161.db2.gz BZPKIVFWENVADE-RISCZKNCSA-N 1 0 247.382 3.990 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)C1CC1 ZINC000037118561 178292640 /nfs/dbraw/zinc/29/26/40/178292640.db2.gz BZPKIVFWENVADE-BXUZGUMPSA-N 1 0 247.382 3.990 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C(C)C ZINC000037118580 178293273 /nfs/dbraw/zinc/29/32/73/178293273.db2.gz FJFWKNZXUDRYBD-LBPRGKRZSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C(C)C ZINC000037118581 178292602 /nfs/dbraw/zinc/29/26/02/178292602.db2.gz FJFWKNZXUDRYBD-GFCCVEGCSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC1CC1 ZINC000037118594 178292929 /nfs/dbraw/zinc/29/29/29/178292929.db2.gz DLJGGEZOHSYHPN-ZDUSSCGKSA-N 1 0 233.355 3.601 20 0 BHADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]CC1CC1 ZINC000037118595 178292869 /nfs/dbraw/zinc/29/28/69/178292869.db2.gz DLJGGEZOHSYHPN-CYBMUJFWSA-N 1 0 233.355 3.601 20 0 BHADRO CCCC[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118604 712546186 /nfs/dbraw/zinc/54/61/86/712546186.db2.gz IJTHBAPRGZAHMG-CYBMUJFWSA-N 1 0 235.371 3.991 20 0 BHADRO CCCC[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118605 712545985 /nfs/dbraw/zinc/54/59/85/712545985.db2.gz IJTHBAPRGZAHMG-ZDUSSCGKSA-N 1 0 235.371 3.991 20 0 BHADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000037118871 358066212 /nfs/dbraw/zinc/06/62/12/358066212.db2.gz SGMPMLPERIDEKP-QWHCGFSZSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000037118872 358065826 /nfs/dbraw/zinc/06/58/26/358065826.db2.gz SGMPMLPERIDEKP-STQMWFEESA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000037118873 358065688 /nfs/dbraw/zinc/06/56/88/358065688.db2.gz SGMPMLPERIDEKP-CHWSQXEVSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000037118874 358065765 /nfs/dbraw/zinc/06/57/65/358065765.db2.gz SGMPMLPERIDEKP-OLZOCXBDSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC1CC1 ZINC000037118907 358065762 /nfs/dbraw/zinc/06/57/62/358065762.db2.gz OLSHASYKYZCSRP-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC1CC1 ZINC000037118909 358066020 /nfs/dbraw/zinc/06/60/20/358066020.db2.gz OLSHASYKYZCSRP-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119198 324297730 /nfs/dbraw/zinc/29/77/30/324297730.db2.gz BIGYLDKAUMWECJ-ZDUSSCGKSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119199 324297614 /nfs/dbraw/zinc/29/76/14/324297614.db2.gz BIGYLDKAUMWECJ-CYBMUJFWSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000037119212 324297663 /nfs/dbraw/zinc/29/76/63/324297663.db2.gz ZGRPONAYSMBZKC-CQSZACIVSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000037119213 324297758 /nfs/dbraw/zinc/29/77/58/324297758.db2.gz ZGRPONAYSMBZKC-AWEZNQCLSA-N 1 0 235.346 3.913 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCSC2)c(C)s1 ZINC000037122867 178231630 /nfs/dbraw/zinc/23/16/30/178231630.db2.gz MWYKKEAQFAXIQZ-MWLCHTKSSA-N 1 0 241.425 3.521 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCSC2)c(C)s1 ZINC000037122868 178255356 /nfs/dbraw/zinc/25/53/56/178255356.db2.gz MWYKKEAQFAXIQZ-GXSJLCMTSA-N 1 0 241.425 3.521 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCSC2)c(C)s1 ZINC000037122869 178232197 /nfs/dbraw/zinc/23/21/97/178232197.db2.gz MWYKKEAQFAXIQZ-KOLCDFICSA-N 1 0 241.425 3.521 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCSC2)c(C)s1 ZINC000037122870 178257935 /nfs/dbraw/zinc/25/79/35/178257935.db2.gz MWYKKEAQFAXIQZ-ONGXEEELSA-N 1 0 241.425 3.521 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128002 712550519 /nfs/dbraw/zinc/55/05/19/712550519.db2.gz CCSOYCIJFQZIGT-DGCLKSJQSA-N 1 0 235.396 3.859 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128003 171287097 /nfs/dbraw/zinc/28/70/97/171287097.db2.gz CCSOYCIJFQZIGT-WCQYABFASA-N 1 0 235.396 3.859 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000037128004 712550482 /nfs/dbraw/zinc/55/04/82/712550482.db2.gz CCSOYCIJFQZIGT-YPMHNXCESA-N 1 0 235.396 3.859 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000037128005 171288312 /nfs/dbraw/zinc/28/83/12/171288312.db2.gz CCSOYCIJFQZIGT-AAEUAGOBSA-N 1 0 235.396 3.859 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140111 324340186 /nfs/dbraw/zinc/34/01/86/324340186.db2.gz SSRYMHGJQLFHRA-KGLIPLIRSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140112 324339664 /nfs/dbraw/zinc/33/96/64/324339664.db2.gz SSRYMHGJQLFHRA-KBPBESRZSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037140113 324339985 /nfs/dbraw/zinc/33/99/85/324339985.db2.gz SSRYMHGJQLFHRA-ZIAGYGMSSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037140114 324339903 /nfs/dbraw/zinc/33/99/03/324339903.db2.gz SSRYMHGJQLFHRA-UONOGXRCSA-N 1 0 249.398 3.739 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140118 171366980 /nfs/dbraw/zinc/36/69/80/171366980.db2.gz MXPWONYLZTXMKB-MELADBBJSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140120 171390641 /nfs/dbraw/zinc/39/06/41/171390641.db2.gz MXPWONYLZTXMKB-IHRRRGAJSA-N 1 0 249.398 3.738 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140200 324339645 /nfs/dbraw/zinc/33/96/45/324339645.db2.gz PMDAANBEWRDTEM-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037140201 324339624 /nfs/dbraw/zinc/33/96/24/324339624.db2.gz PMDAANBEWRDTEM-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000037141089 324340662 /nfs/dbraw/zinc/34/06/62/324340662.db2.gz UBNDBSQGYDMKPP-CYBMUJFWSA-N 1 0 234.387 3.596 20 0 BHADRO CCC[C@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000037141090 324340846 /nfs/dbraw/zinc/34/08/46/324340846.db2.gz UBNDBSQGYDMKPP-ZDUSSCGKSA-N 1 0 234.387 3.596 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141098 324340502 /nfs/dbraw/zinc/34/05/02/324340502.db2.gz RFIWRAJBEHAFPM-CHWSQXEVSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141099 324340833 /nfs/dbraw/zinc/34/08/33/324340833.db2.gz RFIWRAJBEHAFPM-QWHCGFSZSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141100 324341050 /nfs/dbraw/zinc/34/10/50/324341050.db2.gz RFIWRAJBEHAFPM-OLZOCXBDSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141101 324340958 /nfs/dbraw/zinc/34/09/58/324340958.db2.gz RFIWRAJBEHAFPM-STQMWFEESA-N 1 0 234.387 3.595 20 0 BHADRO C[NH+](C)Cc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000037141111 358468861 /nfs/dbraw/zinc/46/88/61/358468861.db2.gz FUJCCLHKLAEHER-AWEZNQCLSA-N 1 0 244.382 3.516 20 0 BHADRO C[NH+](C)Cc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000037141112 358468288 /nfs/dbraw/zinc/46/82/88/358468288.db2.gz FUJCCLHKLAEHER-CQSZACIVSA-N 1 0 244.382 3.516 20 0 BHADRO C[NH+](C)Cc1ccc(NC2CCCCCC2)cc1 ZINC000037141175 324340815 /nfs/dbraw/zinc/34/08/15/324340815.db2.gz XHOAXGURMKFXAK-UHFFFAOYSA-N 1 0 246.398 3.883 20 0 BHADRO C[C@@H]1CCC[C@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000037141194 324340713 /nfs/dbraw/zinc/34/07/13/324340713.db2.gz HLZPXNUFIIWSHQ-CJNGLKHVSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCC[C@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000037141195 324340955 /nfs/dbraw/zinc/34/09/55/324340955.db2.gz HLZPXNUFIIWSHQ-BBRMVZONSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H]1CCC[C@@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000037141196 324340522 /nfs/dbraw/zinc/34/05/22/324340522.db2.gz HLZPXNUFIIWSHQ-CZUORRHYSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]1CCC[C@@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000037141197 324340850 /nfs/dbraw/zinc/34/08/50/324340850.db2.gz HLZPXNUFIIWSHQ-XJKSGUPXSA-N 1 0 246.398 3.739 20 0 BHADRO CCC(CC)CNc1ccc(C[NH+](C)C)cc1 ZINC000037141218 324340905 /nfs/dbraw/zinc/34/09/05/324340905.db2.gz GDLDKAYWHGCTGP-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO C[NH+](C)Cc1ccc(NCC2CCCCC2)cc1 ZINC000037141219 324340593 /nfs/dbraw/zinc/34/05/93/324340593.db2.gz QIZPDBOWCPDWMK-UHFFFAOYSA-N 1 0 246.398 3.740 20 0 BHADRO CC(C)C[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141325 324341041 /nfs/dbraw/zinc/34/10/41/324341041.db2.gz XZWHYHOETNYYOC-CYBMUJFWSA-N 1 0 234.387 3.595 20 0 BHADRO CC(C)C[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037141327 324341788 /nfs/dbraw/zinc/34/17/88/324341788.db2.gz XZWHYHOETNYYOC-ZDUSSCGKSA-N 1 0 234.387 3.595 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141553 537787069 /nfs/dbraw/zinc/78/70/69/537787069.db2.gz LANGRHURRPONTD-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141554 537787077 /nfs/dbraw/zinc/78/70/77/537787077.db2.gz LANGRHURRPONTD-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141555 537786965 /nfs/dbraw/zinc/78/69/65/537786965.db2.gz LANGRHURRPONTD-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141556 168720738 /nfs/dbraw/zinc/72/07/38/168720738.db2.gz LANGRHURRPONTD-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141582 171286650 /nfs/dbraw/zinc/28/66/50/171286650.db2.gz MURGBHCWFYVBFY-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141584 171287828 /nfs/dbraw/zinc/28/78/28/171287828.db2.gz MURGBHCWFYVBFY-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1(C)CC1 ZINC000037141811 324341621 /nfs/dbraw/zinc/34/16/21/324341621.db2.gz MUPREPWMUIXJLT-GARJFASQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1(C)CC1 ZINC000037141813 324341820 /nfs/dbraw/zinc/34/18/20/324341820.db2.gz MUPREPWMUIXJLT-DCAQKATOSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141846 324341387 /nfs/dbraw/zinc/34/13/87/324341387.db2.gz YVAQSSSDCONABV-GARJFASQSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141850 324341429 /nfs/dbraw/zinc/34/14/29/324341429.db2.gz YVAQSSSDCONABV-DCAQKATOSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141964 168391319 /nfs/dbraw/zinc/39/13/19/168391319.db2.gz ANXTVDURQFIRRI-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141965 168392216 /nfs/dbraw/zinc/39/22/16/168392216.db2.gz ANXTVDURQFIRRI-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141966 168391501 /nfs/dbraw/zinc/39/15/01/168391501.db2.gz ANXTVDURQFIRRI-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141967 168392840 /nfs/dbraw/zinc/39/28/40/168392840.db2.gz ANXTVDURQFIRRI-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)s1 ZINC000037150687 343336920 /nfs/dbraw/zinc/33/69/20/343336920.db2.gz RYLGGFLXJDUDOC-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)s1 ZINC000037150689 343336939 /nfs/dbraw/zinc/33/69/39/343336939.db2.gz RYLGGFLXJDUDOC-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cccc(O)c1 ZINC000037151000 324365797 /nfs/dbraw/zinc/36/57/97/324365797.db2.gz BAIIHEOBAKZPHB-AVGNSLFASA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cccc(O)c1 ZINC000037151002 324366166 /nfs/dbraw/zinc/36/61/66/324366166.db2.gz BAIIHEOBAKZPHB-UPJWGTAASA-N 1 0 247.382 3.868 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037151021 343336786 /nfs/dbraw/zinc/33/67/86/343336786.db2.gz MYJVWJOUNQCZEN-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000037151023 343336894 /nfs/dbraw/zinc/33/68/94/343336894.db2.gz MYJVWJOUNQCZEN-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCC2)c(C)s1 ZINC000037179430 178222351 /nfs/dbraw/zinc/22/23/51/178222351.db2.gz QSRAQZVHZYWGBY-SNVBAGLBSA-N 1 0 223.385 3.816 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCC2)c(C)s1 ZINC000037179432 178247621 /nfs/dbraw/zinc/24/76/21/178247621.db2.gz QSRAQZVHZYWGBY-JTQLQIEISA-N 1 0 223.385 3.816 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc2c(c1)CCC2 ZINC000037179434 323187117 /nfs/dbraw/zinc/18/71/17/323187117.db2.gz XLZSHIQDNVAFDV-LBPRGKRZSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc2c(c1)CCC2 ZINC000037179436 323187110 /nfs/dbraw/zinc/18/71/10/323187110.db2.gz XLZSHIQDNVAFDV-GFCCVEGCSA-N 1 0 229.367 3.626 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cccs1 ZINC000037179474 322827251 /nfs/dbraw/zinc/82/72/51/322827251.db2.gz QMJQWRUZAHLRPR-NSHDSACASA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cccs1 ZINC000037179476 384487250 /nfs/dbraw/zinc/48/72/50/384487250.db2.gz QMJQWRUZAHLRPR-LLVKDONJSA-N 1 0 209.358 3.589 20 0 BHADRO CCCC1CCC([NH2+]CC2CCC2)CC1 ZINC000037179525 322827253 /nfs/dbraw/zinc/82/72/53/322827253.db2.gz MGVXLFIRKWFJLB-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCOc1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037179534 324395477 /nfs/dbraw/zinc/39/54/77/324395477.db2.gz PVNBJAIDKFJPBW-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc(F)c(Cl)c1 ZINC000037179584 324395693 /nfs/dbraw/zinc/39/56/93/324395693.db2.gz HGKRSVVZXCFPFM-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc(F)c(Cl)c1 ZINC000037179586 324395365 /nfs/dbraw/zinc/39/53/65/324395365.db2.gz HGKRSVVZXCFPFM-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179592 324395438 /nfs/dbraw/zinc/39/54/38/324395438.db2.gz HQAVCMPSHKKZAP-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179594 324395782 /nfs/dbraw/zinc/39/57/82/324395782.db2.gz HQAVCMPSHKKZAP-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO CCC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037179608 358470052 /nfs/dbraw/zinc/47/00/52/358470052.db2.gz YESPCMAFANUTSU-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037179610 385247940 /nfs/dbraw/zinc/24/79/40/385247940.db2.gz YESPCMAFANUTSU-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO Clc1cccc(C[NH2+]CC2CCC2)c1Cl ZINC000037179624 384487206 /nfs/dbraw/zinc/48/72/06/384487206.db2.gz CQXWPSARMAAKNT-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)s1 ZINC000037179644 187932586 /nfs/dbraw/zinc/93/25/86/187932586.db2.gz GLYURRXTZJYMNG-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)s1 ZINC000037179646 384486981 /nfs/dbraw/zinc/48/69/81/384486981.db2.gz GLYURRXTZJYMNG-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179664 324395615 /nfs/dbraw/zinc/39/56/15/324395615.db2.gz WRWTXPYVLRBHLJ-GFCCVEGCSA-N 1 0 217.356 3.700 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179666 324395581 /nfs/dbraw/zinc/39/55/81/324395581.db2.gz WRWTXPYVLRBHLJ-LBPRGKRZSA-N 1 0 217.356 3.700 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cc2ccccc2o1 ZINC000037179672 388589009 /nfs/dbraw/zinc/58/90/09/388589009.db2.gz AUPFPVJBJPWBRR-NSHDSACASA-N 1 0 229.323 3.884 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cc2ccccc2o1 ZINC000037179674 388588983 /nfs/dbraw/zinc/58/89/83/388588983.db2.gz AUPFPVJBJPWBRR-LLVKDONJSA-N 1 0 229.323 3.884 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1C ZINC000037179676 324395174 /nfs/dbraw/zinc/39/51/74/324395174.db2.gz WVIHOIPKJBRHOI-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)cc1C ZINC000037179678 324395529 /nfs/dbraw/zinc/39/55/29/324395529.db2.gz WVIHOIPKJBRHOI-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+]CC1CCC1 ZINC000037179704 348031785 /nfs/dbraw/zinc/03/17/85/348031785.db2.gz JAYHJRUIFZLXJJ-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cccc(Cl)c1 ZINC000037179737 384487060 /nfs/dbraw/zinc/48/70/60/384487060.db2.gz ZTMGRFDFRKAGAN-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cccc(Cl)c1 ZINC000037179739 322827275 /nfs/dbraw/zinc/82/72/75/322827275.db2.gz ZTMGRFDFRKAGAN-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1nc2ccccc2s1 ZINC000037179775 712550449 /nfs/dbraw/zinc/55/04/49/712550449.db2.gz CFRROCAVMBWONU-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1nc2ccccc2s1 ZINC000037179777 712550495 /nfs/dbraw/zinc/55/04/95/712550495.db2.gz CFRROCAVMBWONU-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179815 167298147 /nfs/dbraw/zinc/29/81/47/167298147.db2.gz OZKIVMORLJNEHO-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179817 167301316 /nfs/dbraw/zinc/30/13/16/167301316.db2.gz OZKIVMORLJNEHO-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179819 324395487 /nfs/dbraw/zinc/39/54/87/324395487.db2.gz QGGQBFDUFAYKGG-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179821 324395203 /nfs/dbraw/zinc/39/52/03/324395203.db2.gz QGGQBFDUFAYKGG-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000037179823 358469621 /nfs/dbraw/zinc/46/96/21/358469621.db2.gz HZPJKECJSAUIPA-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC1CCC1 ZINC000037179825 358470123 /nfs/dbraw/zinc/47/01/23/358470123.db2.gz HZPJKECJSAUIPA-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccc(OC)cc1 ZINC000037179827 171518241 /nfs/dbraw/zinc/51/82/41/171518241.db2.gz CFQZQZFILSTCFU-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccc(OC)cc1 ZINC000037179829 170892687 /nfs/dbraw/zinc/89/26/87/170892687.db2.gz CFQZQZFILSTCFU-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccc(C)cc1 ZINC000037179831 358470092 /nfs/dbraw/zinc/47/00/92/358470092.db2.gz QFIMOUCTDQKQAL-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccc(C)cc1 ZINC000037179833 385247847 /nfs/dbraw/zinc/24/78/47/385247847.db2.gz QFIMOUCTDQKQAL-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000037179857 324395163 /nfs/dbraw/zinc/39/51/63/324395163.db2.gz CAUZNYZBVSTERX-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC2CCC2)c1 ZINC000037179859 324395223 /nfs/dbraw/zinc/39/52/23/324395223.db2.gz CAUZNYZBVSTERX-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)c(C)c1 ZINC000037179873 324395415 /nfs/dbraw/zinc/39/54/15/324395415.db2.gz CFPXGZAPEWNVSW-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)c(C)c1 ZINC000037179875 324395332 /nfs/dbraw/zinc/39/53/32/324395332.db2.gz CFPXGZAPEWNVSW-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]CC1CCC1 ZINC000037179896 387559691 /nfs/dbraw/zinc/55/96/91/387559691.db2.gz BKDISADUJSHJTB-CYBMUJFWSA-N 1 0 233.380 3.613 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CCC1 ZINC000037179898 183453817 /nfs/dbraw/zinc/45/38/17/183453817.db2.gz BKDISADUJSHJTB-ZDUSSCGKSA-N 1 0 233.380 3.613 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179912 324395758 /nfs/dbraw/zinc/39/57/58/324395758.db2.gz BPSGXVRLLPTHAR-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179914 324395236 /nfs/dbraw/zinc/39/52/36/324395236.db2.gz BPSGXVRLLPTHAR-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1 ZINC000037179963 358469372 /nfs/dbraw/zinc/46/93/72/358469372.db2.gz ZHEGBMGGBCNQKD-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1 ZINC000037179965 170892637 /nfs/dbraw/zinc/89/26/37/170892637.db2.gz ZHEGBMGGBCNQKD-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccccc1Cl ZINC000037180118 384487034 /nfs/dbraw/zinc/48/70/34/384487034.db2.gz OIUSHUSVGBQMDM-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccccc1Cl ZINC000037180120 384487012 /nfs/dbraw/zinc/48/70/12/384487012.db2.gz OIUSHUSVGBQMDM-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc(Cl)cc1 ZINC000037180122 384487038 /nfs/dbraw/zinc/48/70/38/384487038.db2.gz SDMMWXIUUKSQFR-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc(Cl)cc1 ZINC000037180124 322827230 /nfs/dbraw/zinc/82/72/30/322827230.db2.gz SDMMWXIUUKSQFR-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037180136 342924344 /nfs/dbraw/zinc/92/43/44/342924344.db2.gz LMLFFRLDGAZYBK-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037180138 384487163 /nfs/dbraw/zinc/48/71/63/384487163.db2.gz LMLFFRLDGAZYBK-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CC(C)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037180178 324395255 /nfs/dbraw/zinc/39/52/55/324395255.db2.gz MYVMYWORCZLFON-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037180180 387559720 /nfs/dbraw/zinc/55/97/20/387559720.db2.gz LLCJLGPQTAZOBM-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO Clc1ccc(C[NH2+]CC2CCC2)c(Cl)c1 ZINC000037180223 322827285 /nfs/dbraw/zinc/82/72/85/322827285.db2.gz QYYMAHJLOJPBJK-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000037180254 358059997 /nfs/dbraw/zinc/05/99/97/358059997.db2.gz AUIAQEBEXCGYII-KGLIPLIRSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000037180256 358059930 /nfs/dbraw/zinc/05/99/30/358059930.db2.gz AUIAQEBEXCGYII-KBPBESRZSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000037180258 358059900 /nfs/dbraw/zinc/05/99/00/358059900.db2.gz AUIAQEBEXCGYII-ZIAGYGMSSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000037180260 358059956 /nfs/dbraw/zinc/05/99/56/358059956.db2.gz AUIAQEBEXCGYII-UONOGXRCSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000037180279 323187197 /nfs/dbraw/zinc/18/71/97/323187197.db2.gz WGJHOXYZPUGORX-UHFFFAOYSA-N 1 0 223.404 3.981 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2CCC2)c(C)c1 ZINC000037180308 348032339 /nfs/dbraw/zinc/03/23/39/348032339.db2.gz VTVPZXDTSVQJGV-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO FC(F)(F)c1cccc(C[NH2+]CC2CCC2)c1 ZINC000037180338 387561127 /nfs/dbraw/zinc/56/11/27/387561127.db2.gz YPKXCYVUICBARQ-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO FC(F)(F)c1ccccc1C[NH2+]CC1CCC1 ZINC000037180345 180896022 /nfs/dbraw/zinc/89/60/22/180896022.db2.gz KOUMIJAZRNDNJD-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO Clc1ccc(C[NH2+]CC2CCC2)cc1Cl ZINC000037180349 384487083 /nfs/dbraw/zinc/48/70/83/384487083.db2.gz YEFVYYRKSBIYQO-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+]CC1CCC1 ZINC000037180372 324395537 /nfs/dbraw/zinc/39/55/37/324395537.db2.gz ABYMWKGRGDBCRV-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO c1ccc2cc(C[NH2+]CC3CCC3)ccc2c1 ZINC000037180390 388589048 /nfs/dbraw/zinc/58/90/48/388589048.db2.gz IEIZAHBVAQSUQS-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037180392 324395343 /nfs/dbraw/zinc/39/53/43/324395343.db2.gz RJFJNOBOIGLSFO-UHFFFAOYSA-N 1 0 231.383 3.874 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC1 ZINC000037183763 358469313 /nfs/dbraw/zinc/46/93/13/358469313.db2.gz ICMNPEJLQDRMQZ-SNVBAGLBSA-N 1 0 215.296 3.554 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC1 ZINC000037183764 358469478 /nfs/dbraw/zinc/46/94/78/358469478.db2.gz ICMNPEJLQDRMQZ-JTQLQIEISA-N 1 0 215.296 3.554 20 0 BHADRO CCCC[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000037183802 169011951 /nfs/dbraw/zinc/01/19/51/169011951.db2.gz HWBDYPJWGUEHKT-AWEZNQCLSA-N 1 0 203.329 3.670 20 0 BHADRO CCCC[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000037183803 342923927 /nfs/dbraw/zinc/92/39/27/342923927.db2.gz HWBDYPJWGUEHKT-CQSZACIVSA-N 1 0 203.329 3.670 20 0 BHADRO Clc1ccc([C@H]([NH2+]C2CC2)C2CC2)cc1 ZINC000037183809 322827282 /nfs/dbraw/zinc/82/72/82/322827282.db2.gz ONEITWCQMXOTDL-CYBMUJFWSA-N 1 0 221.731 3.543 20 0 BHADRO Clc1ccc([C@@H]([NH2+]C2CC2)C2CC2)cc1 ZINC000037183810 384487261 /nfs/dbraw/zinc/48/72/61/384487261.db2.gz ONEITWCQMXOTDL-ZDUSSCGKSA-N 1 0 221.731 3.543 20 0 BHADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CC1 ZINC000037183865 387559460 /nfs/dbraw/zinc/55/94/60/387559460.db2.gz VKVKSICIBXPRMD-MRVPVSSYSA-N 1 0 238.400 3.562 20 0 BHADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CC1 ZINC000037183866 387560052 /nfs/dbraw/zinc/56/00/52/387560052.db2.gz VKVKSICIBXPRMD-QMMMGPOBSA-N 1 0 238.400 3.562 20 0 BHADRO CC(C)(C)C[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000037183868 166602832 /nfs/dbraw/zinc/60/28/32/166602832.db2.gz MBYONCJDEZUZJN-AWEZNQCLSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000037183869 166596927 /nfs/dbraw/zinc/59/69/27/166596927.db2.gz MBYONCJDEZUZJN-CQSZACIVSA-N 1 0 217.356 3.916 20 0 BHADRO c1csc([C@H]([NH2+]C2CC2)C2CCCC2)c1 ZINC000037183872 384487005 /nfs/dbraw/zinc/48/70/05/384487005.db2.gz RAGJUVHZTSVFIW-CYBMUJFWSA-N 1 0 221.369 3.731 20 0 BHADRO c1csc([C@@H]([NH2+]C2CC2)C2CCCC2)c1 ZINC000037183873 322827330 /nfs/dbraw/zinc/82/73/30/322827330.db2.gz RAGJUVHZTSVFIW-ZDUSSCGKSA-N 1 0 221.369 3.731 20 0 BHADRO Cc1ccc([C@H]([NH2+]Cc2ccco2)C2CC2)cc1 ZINC000037184237 343338166 /nfs/dbraw/zinc/33/81/66/343338166.db2.gz AERZVDREMRRMOU-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccc([C@@H]([NH2+]Cc2ccco2)C2CC2)cc1 ZINC000037184238 178863437 /nfs/dbraw/zinc/86/34/37/178863437.db2.gz AERZVDREMRRMOU-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO Fc1ccc([C@H]([NH2+]Cc2ccco2)C2CC2)cc1 ZINC000037184301 343338373 /nfs/dbraw/zinc/33/83/73/343338373.db2.gz HZNDVKHRFGFOHT-OAHLLOKOSA-N 1 0 245.297 3.660 20 0 BHADRO Fc1ccc([C@@H]([NH2+]Cc2ccco2)C2CC2)cc1 ZINC000037184302 343338273 /nfs/dbraw/zinc/33/82/73/343338273.db2.gz HZNDVKHRFGFOHT-HNNXBMFYSA-N 1 0 245.297 3.660 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000037184329 343338462 /nfs/dbraw/zinc/33/84/62/343338462.db2.gz UQRNMPDRTPFUKB-UHFFFAOYSA-N 1 0 249.326 3.624 20 0 BHADRO CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000037184346 388591078 /nfs/dbraw/zinc/59/10/78/388591078.db2.gz RZRMGTSJPADBHW-NSHDSACASA-N 1 0 217.312 3.802 20 0 BHADRO CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000037184347 324405147 /nfs/dbraw/zinc/40/51/47/324405147.db2.gz RZRMGTSJPADBHW-LLVKDONJSA-N 1 0 217.312 3.802 20 0 BHADRO CCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000037184360 324405236 /nfs/dbraw/zinc/40/52/36/324405236.db2.gz XNPKXRUNZDHYMT-ZDUSSCGKSA-N 1 0 219.372 3.742 20 0 BHADRO CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000037184361 324405273 /nfs/dbraw/zinc/40/52/73/324405273.db2.gz XNPKXRUNZDHYMT-CYBMUJFWSA-N 1 0 219.372 3.742 20 0 BHADRO CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037184377 324405268 /nfs/dbraw/zinc/40/52/68/324405268.db2.gz BCBZOVXTUDMDQH-HUUCEWRRSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037184378 323191030 /nfs/dbraw/zinc/19/10/30/323191030.db2.gz BCBZOVXTUDMDQH-CABCVRRESA-N 1 0 217.356 3.712 20 0 BHADRO CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037184379 323191024 /nfs/dbraw/zinc/19/10/24/323191024.db2.gz BCBZOVXTUDMDQH-LSDHHAIUSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037184380 323190975 /nfs/dbraw/zinc/19/09/75/323190975.db2.gz BCBZOVXTUDMDQH-GJZGRUSLSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037184381 169276008 /nfs/dbraw/zinc/27/60/08/169276008.db2.gz GRNAYAFEKBUYNH-QMMMGPOBSA-N 1 0 215.699 3.540 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037184382 169287526 /nfs/dbraw/zinc/28/75/26/169287526.db2.gz GRNAYAFEKBUYNH-MRVPVSSYSA-N 1 0 215.699 3.540 20 0 BHADRO CCC[NH2+][C@@H](C)c1sccc1Br ZINC000037184409 358059281 /nfs/dbraw/zinc/05/92/81/358059281.db2.gz DMLCWWONYRVBEF-ZETCQYMHSA-N 1 0 248.189 3.571 20 0 BHADRO CCC[NH2+][C@H](C)c1sccc1Br ZINC000037184410 358059518 /nfs/dbraw/zinc/05/95/18/358059518.db2.gz DMLCWWONYRVBEF-SSDOTTSWSA-N 1 0 248.189 3.571 20 0 BHADRO CCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000037184411 323190928 /nfs/dbraw/zinc/19/09/28/323190928.db2.gz HXFVFURALPXUFM-VIFPVBQESA-N 1 0 240.416 3.810 20 0 BHADRO CCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000037184412 323190948 /nfs/dbraw/zinc/19/09/48/323190948.db2.gz HXFVFURALPXUFM-SECBINFHSA-N 1 0 240.416 3.810 20 0 BHADRO CC[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000037184594 170143749 /nfs/dbraw/zinc/14/37/49/170143749.db2.gz PUNHCQZEJFXJRT-NSHDSACASA-N 1 0 242.160 3.510 20 0 BHADRO CC[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000037184595 170161851 /nfs/dbraw/zinc/16/18/51/170161851.db2.gz PUNHCQZEJFXJRT-LLVKDONJSA-N 1 0 242.160 3.510 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000037185792 322827519 /nfs/dbraw/zinc/82/75/19/322827519.db2.gz DGAACJFRXIEIBF-OLZOCXBDSA-N 1 0 205.345 3.916 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000037185793 398305371 /nfs/dbraw/zinc/30/53/71/398305371.db2.gz DGAACJFRXIEIBF-STQMWFEESA-N 1 0 205.345 3.916 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000037185794 322827523 /nfs/dbraw/zinc/82/75/23/322827523.db2.gz DGAACJFRXIEIBF-CHWSQXEVSA-N 1 0 205.345 3.916 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000037185795 322827633 /nfs/dbraw/zinc/82/76/33/322827633.db2.gz DGAACJFRXIEIBF-QWHCGFSZSA-N 1 0 205.345 3.916 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000037186199 712552831 /nfs/dbraw/zinc/55/28/31/712552831.db2.gz FVYVYECLVJCZKI-UHFFFAOYSA-N 1 0 247.338 3.720 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000037186211 388591249 /nfs/dbraw/zinc/59/12/49/388591249.db2.gz YFBLZWZPIQEEMJ-UHFFFAOYSA-N 1 0 219.372 3.890 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C(C)C ZINC000037186229 177628723 /nfs/dbraw/zinc/62/87/23/177628723.db2.gz OPLCYWJBLVZKLA-LLVKDONJSA-N 1 0 217.312 3.800 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C(C)C ZINC000037186230 177631823 /nfs/dbraw/zinc/63/18/23/177631823.db2.gz OPLCYWJBLVZKLA-NSHDSACASA-N 1 0 217.312 3.800 20 0 BHADRO CC(C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000037186247 167130230 /nfs/dbraw/zinc/13/02/30/167130230.db2.gz CWJJZVJMYGKRQR-ZDUSSCGKSA-N 1 0 219.372 3.741 20 0 BHADRO CC(C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000037186248 167138669 /nfs/dbraw/zinc/13/86/69/167138669.db2.gz CWJJZVJMYGKRQR-CYBMUJFWSA-N 1 0 219.372 3.741 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037186269 167133317 /nfs/dbraw/zinc/13/33/17/167133317.db2.gz YIBYVGSNSYZRSR-QMMMGPOBSA-N 1 0 215.699 3.538 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037186270 167138407 /nfs/dbraw/zinc/13/84/07/167138407.db2.gz YIBYVGSNSYZRSR-MRVPVSSYSA-N 1 0 215.699 3.538 20 0 BHADRO CC(C)[NH2+]C(c1cccs1)c1cccs1 ZINC000037186275 167092660 /nfs/dbraw/zinc/09/26/60/167092660.db2.gz UBSGAOSTKMMRSE-UHFFFAOYSA-N 1 0 237.393 3.897 20 0 BHADRO CC(C)[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037186314 167132517 /nfs/dbraw/zinc/13/25/17/167132517.db2.gz LALMHWKKWPPNCE-NSHDSACASA-N 1 0 231.261 3.678 20 0 BHADRO CC(C)[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037186315 167138771 /nfs/dbraw/zinc/13/87/71/167138771.db2.gz LALMHWKKWPPNCE-LLVKDONJSA-N 1 0 231.261 3.678 20 0 BHADRO CCCCC[C@H]([NH2+]CCOC)c1ccccc1 ZINC000037186376 712553106 /nfs/dbraw/zinc/55/31/06/712553106.db2.gz IFQYPEYMROBOCX-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCC[C@@H]([NH2+]CCOC)c1ccccc1 ZINC000037186377 712552819 /nfs/dbraw/zinc/55/28/19/712552819.db2.gz IFQYPEYMROBOCX-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000037186521 323191354 /nfs/dbraw/zinc/19/13/54/323191354.db2.gz NNXOLCQLLFSINN-DOMZBBRYSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000037186522 323191377 /nfs/dbraw/zinc/19/13/77/323191377.db2.gz NNXOLCQLLFSINN-WFASDCNBSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000037186523 323191348 /nfs/dbraw/zinc/19/13/48/323191348.db2.gz NNXOLCQLLFSINN-IUODEOHRSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000037186524 323191449 /nfs/dbraw/zinc/19/14/49/323191449.db2.gz NNXOLCQLLFSINN-SWLSCSKDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037186563 323191387 /nfs/dbraw/zinc/19/13/87/323191387.db2.gz RUSUJJHNRAEYRC-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037186564 323191460 /nfs/dbraw/zinc/19/14/60/323191460.db2.gz RUSUJJHNRAEYRC-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037186565 323191353 /nfs/dbraw/zinc/19/13/53/323191353.db2.gz RUSUJJHNRAEYRC-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037186566 323191328 /nfs/dbraw/zinc/19/13/28/323191328.db2.gz RUSUJJHNRAEYRC-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037186583 384490293 /nfs/dbraw/zinc/49/02/93/384490293.db2.gz LQBYMWYUVQZDOB-BDAKNGLRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037186584 384488927 /nfs/dbraw/zinc/48/89/27/384488927.db2.gz LQBYMWYUVQZDOB-IUCAKERBSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037186585 322827485 /nfs/dbraw/zinc/82/74/85/322827485.db2.gz LQBYMWYUVQZDOB-RKDXNWHRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037186586 384490127 /nfs/dbraw/zinc/49/01/27/384490127.db2.gz LQBYMWYUVQZDOB-DTWKUNHWSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037186591 170756836 /nfs/dbraw/zinc/75/68/36/170756836.db2.gz JFOAOODCINMOST-BXKDBHETSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037186592 171347076 /nfs/dbraw/zinc/34/70/76/171347076.db2.gz JFOAOODCINMOST-JOYOIKCWSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037186593 170759257 /nfs/dbraw/zinc/75/92/57/170759257.db2.gz JFOAOODCINMOST-SKDRFNHKSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037186594 171348457 /nfs/dbraw/zinc/34/84/57/171348457.db2.gz JFOAOODCINMOST-CABZTGNLSA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037186665 323191429 /nfs/dbraw/zinc/19/14/29/323191429.db2.gz XHOGIXCYNGVMEE-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037186666 323191413 /nfs/dbraw/zinc/19/14/13/323191413.db2.gz XHOGIXCYNGVMEE-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037186667 323191326 /nfs/dbraw/zinc/19/13/26/323191326.db2.gz XHOGIXCYNGVMEE-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037186668 323191341 /nfs/dbraw/zinc/19/13/41/323191341.db2.gz XHOGIXCYNGVMEE-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037186761 383954793 /nfs/dbraw/zinc/95/47/93/383954793.db2.gz MTNONDHJCBMPBY-VIFPVBQESA-N 1 0 229.726 3.786 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037186762 167012900 /nfs/dbraw/zinc/01/29/00/167012900.db2.gz MTNONDHJCBMPBY-SECBINFHSA-N 1 0 229.726 3.786 20 0 BHADRO CC(C)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037186815 167012105 /nfs/dbraw/zinc/01/21/05/167012105.db2.gz ZMWISJCCCQLPFW-LBPRGKRZSA-N 1 0 245.288 3.926 20 0 BHADRO CC(C)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037186816 167013668 /nfs/dbraw/zinc/01/36/68/167013668.db2.gz ZMWISJCCCQLPFW-GFCCVEGCSA-N 1 0 245.288 3.926 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000037186864 322827530 /nfs/dbraw/zinc/82/75/30/322827530.db2.gz VZSCRIYFGQFEFG-GFCCVEGCSA-N 1 0 203.329 3.588 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CCCC2)c1 ZINC000037186865 322827625 /nfs/dbraw/zinc/82/76/25/322827625.db2.gz VZSCRIYFGQFEFG-LBPRGKRZSA-N 1 0 203.329 3.588 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000037186890 358060718 /nfs/dbraw/zinc/06/07/18/358060718.db2.gz XAFFGDYJLMSWIL-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCCC1 ZINC000037186891 358060233 /nfs/dbraw/zinc/06/02/33/358060233.db2.gz XAFFGDYJLMSWIL-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCO2 ZINC000037186910 712552912 /nfs/dbraw/zinc/55/29/12/712552912.db2.gz PVUFSSHOEOJCOH-HNNXBMFYSA-N 1 0 245.366 3.605 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCO2 ZINC000037186911 712552844 /nfs/dbraw/zinc/55/28/44/712552844.db2.gz PVUFSSHOEOJCOH-OAHLLOKOSA-N 1 0 245.366 3.605 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037186942 168389663 /nfs/dbraw/zinc/38/96/63/168389663.db2.gz CWHFMNIDVOXILS-UHFFFAOYSA-N 1 0 235.371 3.752 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037186943 168391237 /nfs/dbraw/zinc/39/12/37/168391237.db2.gz TYLINPUYYLJQJK-ZDUSSCGKSA-N 1 0 249.398 3.795 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037186944 168392662 /nfs/dbraw/zinc/39/26/62/168392662.db2.gz TYLINPUYYLJQJK-CYBMUJFWSA-N 1 0 249.398 3.795 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037186980 168391822 /nfs/dbraw/zinc/39/18/22/168391822.db2.gz ZMNQRMOOQVLHOZ-JTQLQIEISA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037186981 168393064 /nfs/dbraw/zinc/39/30/64/168393064.db2.gz ZMNQRMOOQVLHOZ-SNVBAGLBSA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037186982 384490171 /nfs/dbraw/zinc/49/01/71/384490171.db2.gz HNUSWRHDVKRMAE-LBPRGKRZSA-N 1 0 205.345 3.834 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037186983 384488869 /nfs/dbraw/zinc/48/88/69/384488869.db2.gz HNUSWRHDVKRMAE-GFCCVEGCSA-N 1 0 205.345 3.834 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037186991 168391260 /nfs/dbraw/zinc/39/12/60/168391260.db2.gz RXZHMSCRRXEKJP-MRXNPFEDSA-N 1 0 247.382 3.925 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037186992 168392977 /nfs/dbraw/zinc/39/29/77/168392977.db2.gz RXZHMSCRRXEKJP-INIZCTEOSA-N 1 0 247.382 3.925 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037187014 358060765 /nfs/dbraw/zinc/06/07/65/358060765.db2.gz GNLCJVNRPWZOAE-LBPRGKRZSA-N 1 0 235.371 3.843 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037187015 358060603 /nfs/dbraw/zinc/06/06/03/358060603.db2.gz GNLCJVNRPWZOAE-GFCCVEGCSA-N 1 0 235.371 3.843 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000037187033 168390690 /nfs/dbraw/zinc/39/06/90/168390690.db2.gz KDYYWSYCVMKWNK-HNNXBMFYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000037187034 168392625 /nfs/dbraw/zinc/39/26/25/168392625.db2.gz KDYYWSYCVMKWNK-OAHLLOKOSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037187054 538961871 /nfs/dbraw/zinc/96/18/71/538961871.db2.gz SQCJIYIWPLHMCW-CQSZACIVSA-N 1 0 235.396 3.753 20 0 BHADRO CCC(CC)[NH2+][C@H]1CSCc2ccccc21 ZINC000037187055 538962019 /nfs/dbraw/zinc/96/20/19/538962019.db2.gz SQCJIYIWPLHMCW-AWEZNQCLSA-N 1 0 235.396 3.753 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CC1 ZINC000037187270 344497650 /nfs/dbraw/zinc/49/76/50/344497650.db2.gz BFGAKHTZIRAAKJ-LLVKDONJSA-N 1 0 229.323 3.802 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CC1 ZINC000037187271 344497379 /nfs/dbraw/zinc/49/73/79/344497379.db2.gz BFGAKHTZIRAAKJ-NSHDSACASA-N 1 0 229.323 3.802 20 0 BHADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1CC1 ZINC000037187293 323191612 /nfs/dbraw/zinc/19/16/12/323191612.db2.gz AZOWXLHFQQETLC-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1CC1 ZINC000037187294 323191617 /nfs/dbraw/zinc/19/16/17/323191617.db2.gz AZOWXLHFQQETLC-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO CCCC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037187319 323191519 /nfs/dbraw/zinc/19/15/19/323191519.db2.gz WEZUASISMNIECP-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCCC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037187320 323191508 /nfs/dbraw/zinc/19/15/08/323191508.db2.gz WEZUASISMNIECP-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO Clc1ccc([C@H]([NH2+]CC2CC2)C2CC2)cc1 ZINC000037187326 180585493 /nfs/dbraw/zinc/58/54/93/180585493.db2.gz ZZUCYKUUMUZVKK-CQSZACIVSA-N 1 0 235.758 3.791 20 0 BHADRO Clc1ccc([C@@H]([NH2+]CC2CC2)C2CC2)cc1 ZINC000037187327 712553057 /nfs/dbraw/zinc/55/30/57/712553057.db2.gz ZZUCYKUUMUZVKK-AWEZNQCLSA-N 1 0 235.758 3.791 20 0 BHADRO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2CC2)cc1 ZINC000037187332 323191620 /nfs/dbraw/zinc/19/16/20/323191620.db2.gz HOKRBXLWEAYULV-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2CC2)cc1 ZINC000037187333 323191574 /nfs/dbraw/zinc/19/15/74/323191574.db2.gz HOKRBXLWEAYULV-CVEARBPZSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2CC2)cc1 ZINC000037187334 323191521 /nfs/dbraw/zinc/19/15/21/323191521.db2.gz HOKRBXLWEAYULV-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CCCC[C@H]2[NH2+]CC2CC2)cc1 ZINC000037187335 323191621 /nfs/dbraw/zinc/19/16/21/323191621.db2.gz HOKRBXLWEAYULV-HZPDHXFCSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(F)cc1Cl ZINC000037187336 384489721 /nfs/dbraw/zinc/48/97/21/384489721.db2.gz JADOCVPRZJFGBF-QMMMGPOBSA-N 1 0 227.710 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1Cl ZINC000037187337 384489511 /nfs/dbraw/zinc/48/95/11/384489511.db2.gz JADOCVPRZJFGBF-MRVPVSSYSA-N 1 0 227.710 3.540 20 0 BHADRO c1csc(C([NH2+]CC2CC2)c2cccs2)c1 ZINC000037187344 343338300 /nfs/dbraw/zinc/33/83/00/343338300.db2.gz GKKYSXBAHRLGIM-UHFFFAOYSA-N 1 0 249.404 3.899 20 0 BHADRO FC(F)(F)C[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037187393 387559674 /nfs/dbraw/zinc/55/96/74/387559674.db2.gz RWBCQHLKCUFGOW-GFCCVEGCSA-N 1 0 243.272 3.680 20 0 BHADRO FC(F)(F)C[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037187394 180885423 /nfs/dbraw/zinc/88/54/23/180885423.db2.gz RWBCQHLKCUFGOW-LBPRGKRZSA-N 1 0 243.272 3.680 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000037187706 323191517 /nfs/dbraw/zinc/19/15/17/323191517.db2.gz XSYXYIHIPMSQNI-CQSZACIVSA-N 1 0 225.335 3.846 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000037187707 323191553 /nfs/dbraw/zinc/19/15/53/323191553.db2.gz XSYXYIHIPMSQNI-AWEZNQCLSA-N 1 0 225.335 3.846 20 0 BHADRO CCCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037188791 324406636 /nfs/dbraw/zinc/40/66/36/324406636.db2.gz COUQAHKGUYERLP-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037188792 388591284 /nfs/dbraw/zinc/59/12/84/388591284.db2.gz COUQAHKGUYERLP-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037188832 384488919 /nfs/dbraw/zinc/48/89/19/384488919.db2.gz LSNMDYDBGUPLEE-ZDUSSCGKSA-N 1 0 205.345 3.836 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000037188833 384488911 /nfs/dbraw/zinc/48/89/11/384488911.db2.gz LSNMDYDBGUPLEE-CYBMUJFWSA-N 1 0 205.345 3.836 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037188841 324406430 /nfs/dbraw/zinc/40/64/30/324406430.db2.gz YZOSVGZDGGUHJY-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CCCCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037188842 388591003 /nfs/dbraw/zinc/59/10/03/388591003.db2.gz YZOSVGZDGGUHJY-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037188860 538962014 /nfs/dbraw/zinc/96/20/14/538962014.db2.gz WYCXYAWMGPKVRE-ZDUSSCGKSA-N 1 0 235.371 3.844 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037188861 538961932 /nfs/dbraw/zinc/96/19/32/538961932.db2.gz WYCXYAWMGPKVRE-CYBMUJFWSA-N 1 0 235.371 3.844 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037189417 388591062 /nfs/dbraw/zinc/59/10/62/388591062.db2.gz ZBJICDWLKAMTQT-CYBMUJFWSA-N 1 0 235.371 3.752 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037189418 324406641 /nfs/dbraw/zinc/40/66/41/324406641.db2.gz ZBJICDWLKAMTQT-ZDUSSCGKSA-N 1 0 235.371 3.752 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037189419 388591478 /nfs/dbraw/zinc/59/14/78/388591478.db2.gz SCVJVGZEYWXWJS-KGLIPLIRSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037189420 388591123 /nfs/dbraw/zinc/59/11/23/388591123.db2.gz SCVJVGZEYWXWJS-KBPBESRZSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037189421 324406741 /nfs/dbraw/zinc/40/67/41/324406741.db2.gz SCVJVGZEYWXWJS-ZIAGYGMSSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037189422 388591427 /nfs/dbraw/zinc/59/14/27/388591427.db2.gz SCVJVGZEYWXWJS-UONOGXRCSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037189497 538961966 /nfs/dbraw/zinc/96/19/66/538961966.db2.gz VDJMIZNGEIPODY-MNOVXSKESA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037189498 538962074 /nfs/dbraw/zinc/96/20/74/538962074.db2.gz VDJMIZNGEIPODY-QWRGUYRKSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037189499 538961866 /nfs/dbraw/zinc/96/18/66/538961866.db2.gz VDJMIZNGEIPODY-GHMZBOCLSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037189500 538961917 /nfs/dbraw/zinc/96/19/17/538961917.db2.gz VDJMIZNGEIPODY-WDEREUQCSA-N 1 0 239.334 3.674 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037189501 322827334 /nfs/dbraw/zinc/82/73/34/322827334.db2.gz VEKXCWAYCDMFEI-OLZOCXBDSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037189502 322827269 /nfs/dbraw/zinc/82/72/69/322827269.db2.gz VEKXCWAYCDMFEI-STQMWFEESA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037189503 322827172 /nfs/dbraw/zinc/82/71/72/322827172.db2.gz VEKXCWAYCDMFEI-CHWSQXEVSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037189504 322827246 /nfs/dbraw/zinc/82/72/46/322827246.db2.gz VEKXCWAYCDMFEI-QWHCGFSZSA-N 1 0 205.345 3.834 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037189519 388591083 /nfs/dbraw/zinc/59/10/83/388591083.db2.gz WMPGEYJRAWEGNJ-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037189520 388591417 /nfs/dbraw/zinc/59/14/17/388591417.db2.gz WMPGEYJRAWEGNJ-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037189521 388591289 /nfs/dbraw/zinc/59/12/89/388591289.db2.gz WMPGEYJRAWEGNJ-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037189522 388591126 /nfs/dbraw/zinc/59/11/26/388591126.db2.gz WMPGEYJRAWEGNJ-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037189565 538962035 /nfs/dbraw/zinc/96/20/35/538962035.db2.gz AJXPXMNGQUBKIK-OLZOCXBDSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037189566 538962038 /nfs/dbraw/zinc/96/20/38/538962038.db2.gz AJXPXMNGQUBKIK-STQMWFEESA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037189567 538961924 /nfs/dbraw/zinc/96/19/24/538961924.db2.gz AJXPXMNGQUBKIK-CHWSQXEVSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037189568 538962047 /nfs/dbraw/zinc/96/20/47/538962047.db2.gz AJXPXMNGQUBKIK-QWHCGFSZSA-N 1 0 235.371 3.843 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000037195451 712552619 /nfs/dbraw/zinc/55/26/19/712552619.db2.gz ASBKDAWDUCAREE-DOMZBBRYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000037195452 712552560 /nfs/dbraw/zinc/55/25/60/712552560.db2.gz ASBKDAWDUCAREE-WFASDCNBSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000037195453 712552641 /nfs/dbraw/zinc/55/26/41/712552641.db2.gz ASBKDAWDUCAREE-IUODEOHRSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000037195454 712552516 /nfs/dbraw/zinc/55/25/16/712552516.db2.gz ASBKDAWDUCAREE-SWLSCSKDSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037195501 538962069 /nfs/dbraw/zinc/96/20/69/538962069.db2.gz LSTOWNROOXAFHJ-BXUZGUMPSA-N 1 0 235.396 3.753 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037195502 538962041 /nfs/dbraw/zinc/96/20/41/538962041.db2.gz LSTOWNROOXAFHJ-SMDDNHRTSA-N 1 0 235.396 3.753 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037195503 538961994 /nfs/dbraw/zinc/96/19/94/538961994.db2.gz LSTOWNROOXAFHJ-RISCZKNCSA-N 1 0 235.396 3.753 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037195504 538962018 /nfs/dbraw/zinc/96/20/18/538962018.db2.gz LSTOWNROOXAFHJ-FZMZJTMJSA-N 1 0 235.396 3.753 20 0 BHADRO COc1ccccc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000037195528 324416614 /nfs/dbraw/zinc/41/66/14/324416614.db2.gz SLFXHSYSRZPVMY-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@H](C)C1CCCCC1 ZINC000037195529 324416557 /nfs/dbraw/zinc/41/65/57/324416557.db2.gz SLFXHSYSRZPVMY-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000037195982 324417645 /nfs/dbraw/zinc/41/76/45/324417645.db2.gz ONUHXXDIJZMDMW-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000037195983 324417465 /nfs/dbraw/zinc/41/74/65/324417465.db2.gz ONUHXXDIJZMDMW-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000037196240 712552642 /nfs/dbraw/zinc/55/26/42/712552642.db2.gz PRQUYZDFBCJTAY-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000037196241 712552584 /nfs/dbraw/zinc/55/25/84/712552584.db2.gz PRQUYZDFBCJTAY-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000037196242 712552708 /nfs/dbraw/zinc/55/27/08/712552708.db2.gz PRQUYZDFBCJTAY-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037196365 358470085 /nfs/dbraw/zinc/47/00/85/358470085.db2.gz FNACLCNUUALRGT-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037196366 387559749 /nfs/dbraw/zinc/55/97/49/387559749.db2.gz FNACLCNUUALRGT-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@H](C)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037196367 358469296 /nfs/dbraw/zinc/46/92/96/358469296.db2.gz FNACLCNUUALRGT-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037196368 387559958 /nfs/dbraw/zinc/55/99/58/387559958.db2.gz FNACLCNUUALRGT-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037197975 383954565 /nfs/dbraw/zinc/95/45/65/383954565.db2.gz MYRYBNSDLSJKMB-VIFPVBQESA-N 1 0 229.726 3.930 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037197976 383954208 /nfs/dbraw/zinc/95/42/08/383954208.db2.gz MYRYBNSDLSJKMB-SECBINFHSA-N 1 0 229.726 3.930 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037198017 323193560 /nfs/dbraw/zinc/19/35/60/323193560.db2.gz UPAQGVJWKKYWNU-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037198018 323193551 /nfs/dbraw/zinc/19/35/51/323193551.db2.gz UPAQGVJWKKYWNU-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000037199098 324423820 /nfs/dbraw/zinc/42/38/20/324423820.db2.gz XVYCSMATHOKFNI-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000037199099 388595261 /nfs/dbraw/zinc/59/52/61/388595261.db2.gz XVYCSMATHOKFNI-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000037199343 712552597 /nfs/dbraw/zinc/55/25/97/712552597.db2.gz MMZWKNYCKKKOEF-GJZGRUSLSA-N 1 0 239.403 3.647 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+]CCC(C)C)cc1 ZINC000037199800 324424552 /nfs/dbraw/zinc/42/45/52/324424552.db2.gz ZNGCEEGHKDZYRW-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000037199801 324424995 /nfs/dbraw/zinc/42/49/95/324424995.db2.gz ZNGCEEGHKDZYRW-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC(C)C)c(F)c1 ZINC000037199836 388595157 /nfs/dbraw/zinc/59/51/57/388595157.db2.gz YLRWPJOVIBAETB-NSHDSACASA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC(C)C)c(F)c1 ZINC000037199837 388595630 /nfs/dbraw/zinc/59/56/30/388595630.db2.gz YLRWPJOVIBAETB-LLVKDONJSA-N 1 0 239.334 3.531 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(C)C)c1 ZINC000037199838 384488878 /nfs/dbraw/zinc/48/88/78/384488878.db2.gz NAYSTODVFOBYAH-CYBMUJFWSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(C)C)c1 ZINC000037199839 322827184 /nfs/dbraw/zinc/82/71/84/322827184.db2.gz NAYSTODVFOBYAH-ZDUSSCGKSA-N 1 0 205.345 3.692 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCC(C)C ZINC000037199864 358060788 /nfs/dbraw/zinc/06/07/88/358060788.db2.gz FVSOYBOXSMNQRI-CYBMUJFWSA-N 1 0 235.371 3.700 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CCC(C)C ZINC000037199865 358060812 /nfs/dbraw/zinc/06/08/12/358060812.db2.gz FVSOYBOXSMNQRI-ZDUSSCGKSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccc2c(c1)CCO2 ZINC000037199883 712552701 /nfs/dbraw/zinc/55/27/01/712552701.db2.gz DDSKOGGSTVWWFR-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccc2c(c1)CCO2 ZINC000037199884 712552423 /nfs/dbraw/zinc/55/24/23/712552423.db2.gz DDSKOGGSTVWWFR-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037199894 323193312 /nfs/dbraw/zinc/19/33/12/323193312.db2.gz WMSXYROVLZRONT-OAHLLOKOSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037199895 323193347 /nfs/dbraw/zinc/19/33/47/323193347.db2.gz WMSXYROVLZRONT-HNNXBMFYSA-N 1 0 235.346 3.913 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1ccccc1F ZINC000037200106 388595606 /nfs/dbraw/zinc/59/56/06/388595606.db2.gz AVYYDPQIVHRFOR-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1ccccc1F ZINC000037200107 388595348 /nfs/dbraw/zinc/59/53/48/388595348.db2.gz AVYYDPQIVHRFOR-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000037202158 388596215 /nfs/dbraw/zinc/59/62/15/388596215.db2.gz ZREQWFFVLWLXHX-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000037202159 388595941 /nfs/dbraw/zinc/59/59/41/388595941.db2.gz ZREQWFFVLWLXHX-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC000037211092 388598259 /nfs/dbraw/zinc/59/82/59/388598259.db2.gz JRIGAEWHEXUUEM-LBPRGKRZSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC000037211093 324435773 /nfs/dbraw/zinc/43/57/73/324435773.db2.gz JRIGAEWHEXUUEM-GFCCVEGCSA-N 1 0 235.346 3.884 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000037211098 324435638 /nfs/dbraw/zinc/43/56/38/324435638.db2.gz WSBYFEPJLFBAPX-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000037211099 323194299 /nfs/dbraw/zinc/19/42/99/323194299.db2.gz WSBYFEPJLFBAPX-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)C1CCCCC1 ZINC000037211839 388598146 /nfs/dbraw/zinc/59/81/46/388598146.db2.gz MLQQPHPKAOHIML-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)C1CCCCC1 ZINC000037211840 388598245 /nfs/dbraw/zinc/59/82/45/388598245.db2.gz MLQQPHPKAOHIML-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000037211845 324435842 /nfs/dbraw/zinc/43/58/42/324435842.db2.gz KHQCVRGNLGJSNY-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCc2cccs2)c1 ZINC000037211846 323194418 /nfs/dbraw/zinc/19/44/18/323194418.db2.gz KHQCVRGNLGJSNY-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)C1CCCCC1 ZINC000037211971 323194481 /nfs/dbraw/zinc/19/44/81/323194481.db2.gz OBUONELNLGDWKB-LBPRGKRZSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1F)C1CCCCC1 ZINC000037211972 323194464 /nfs/dbraw/zinc/19/44/64/323194464.db2.gz OBUONELNLGDWKB-GFCCVEGCSA-N 1 0 235.346 3.884 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000037211977 324435715 /nfs/dbraw/zinc/43/57/15/324435715.db2.gz IUWKCKMMRCKPRN-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000037211978 324435674 /nfs/dbraw/zinc/43/56/74/324435674.db2.gz IUWKCKMMRCKPRN-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000037214548 322827890 /nfs/dbraw/zinc/82/78/90/322827890.db2.gz ZJOAIIWUKZSWRI-CYBMUJFWSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000037214549 385625771 /nfs/dbraw/zinc/62/57/71/385625771.db2.gz ZJOAIIWUKZSWRI-ZDUSSCGKSA-N 1 0 205.345 3.663 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC000037214550 322827718 /nfs/dbraw/zinc/82/77/18/322827718.db2.gz OQQQVTPAALJXIY-AWEZNQCLSA-N 1 0 205.345 3.519 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC000037214551 322827896 /nfs/dbraw/zinc/82/78/96/322827896.db2.gz OQQQVTPAALJXIY-CQSZACIVSA-N 1 0 205.345 3.519 20 0 BHADRO CCCC[C@H]([NH2+]CCCOCC)c1ccccc1 ZINC000037214691 169012129 /nfs/dbraw/zinc/01/21/29/169012129.db2.gz UTCHDEUNJSZFPS-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCC[C@@H]([NH2+]CCCOCC)c1ccccc1 ZINC000037214692 358470765 /nfs/dbraw/zinc/47/07/65/358470765.db2.gz UTCHDEUNJSZFPS-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000037215224 169012202 /nfs/dbraw/zinc/01/22/02/169012202.db2.gz WNECZRUHNIFZMJ-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000037215226 358470948 /nfs/dbraw/zinc/47/09/48/358470948.db2.gz WNECZRUHNIFZMJ-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000037215227 169011626 /nfs/dbraw/zinc/01/16/26/169011626.db2.gz WNECZRUHNIFZMJ-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000037215228 358471109 /nfs/dbraw/zinc/47/11/09/358471109.db2.gz WNECZRUHNIFZMJ-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC000037216800 343339474 /nfs/dbraw/zinc/33/94/74/343339474.db2.gz JCQLXXYFNRSKTP-AWEZNQCLSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC000037216801 383959013 /nfs/dbraw/zinc/95/90/13/383959013.db2.gz JCQLXXYFNRSKTP-CQSZACIVSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(C)C ZINC000037217347 324439490 /nfs/dbraw/zinc/43/94/90/324439490.db2.gz FZSVKFVCGXBLDA-FZMZJTMJSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(C)C ZINC000037217348 324439084 /nfs/dbraw/zinc/43/90/84/324439084.db2.gz FZSVKFVCGXBLDA-SMDDNHRTSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)C(C)C ZINC000037217349 388599053 /nfs/dbraw/zinc/59/90/53/388599053.db2.gz FZSVKFVCGXBLDA-RISCZKNCSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)C(C)C ZINC000037217350 324439381 /nfs/dbraw/zinc/43/93/81/324439381.db2.gz FZSVKFVCGXBLDA-BXUZGUMPSA-N 1 0 223.335 3.911 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccncc1 ZINC000037217795 387559870 /nfs/dbraw/zinc/55/98/70/387559870.db2.gz MLDAMIQXYQIMBV-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccncc1 ZINC000037217796 358471111 /nfs/dbraw/zinc/47/11/11/358471111.db2.gz MLDAMIQXYQIMBV-QWHCGFSZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)C1CCCCC1 ZINC000037217797 358471106 /nfs/dbraw/zinc/47/11/06/358471106.db2.gz MLDAMIQXYQIMBV-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccncc1 ZINC000037217798 358470867 /nfs/dbraw/zinc/47/08/67/358470867.db2.gz MLDAMIQXYQIMBV-CHWSQXEVSA-N 1 0 232.371 3.701 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000037217807 179183339 /nfs/dbraw/zinc/18/33/39/179183339.db2.gz SGIXXRJPZBETTK-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000037217808 179196273 /nfs/dbraw/zinc/19/62/73/179196273.db2.gz SGIXXRJPZBETTK-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000037217809 179182369 /nfs/dbraw/zinc/18/23/69/179182369.db2.gz SGIXXRJPZBETTK-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000037217810 179197615 /nfs/dbraw/zinc/19/76/15/179197615.db2.gz SGIXXRJPZBETTK-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000037218199 168948497 /nfs/dbraw/zinc/94/84/97/168948497.db2.gz PNNQMMZRMCHUOT-CYBMUJFWSA-N 1 0 244.382 3.879 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000037218200 712553299 /nfs/dbraw/zinc/55/32/99/712553299.db2.gz PNNQMMZRMCHUOT-ZDUSSCGKSA-N 1 0 244.382 3.879 20 0 BHADRO CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)C(C)C ZINC000037218201 712553314 /nfs/dbraw/zinc/55/33/14/712553314.db2.gz AQTAZTJPBUQFPC-HNNXBMFYSA-N 1 0 244.382 3.735 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000037218425 388598875 /nfs/dbraw/zinc/59/88/75/388598875.db2.gz JQDLAWCPFHZFIG-CQSZACIVSA-N 1 0 219.372 3.788 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCc1ccccc1 ZINC000037218426 324438633 /nfs/dbraw/zinc/43/86/33/324438633.db2.gz JQDLAWCPFHZFIG-AWEZNQCLSA-N 1 0 219.372 3.788 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccccc1)C(C)C ZINC000037218427 388599225 /nfs/dbraw/zinc/59/92/25/388599225.db2.gz MLIBDHDMYXQAPN-HNNXBMFYSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccccc1)C(C)C ZINC000037218428 324438516 /nfs/dbraw/zinc/43/85/16/324438516.db2.gz MLIBDHDMYXQAPN-OAHLLOKOSA-N 1 0 219.372 3.643 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccccn1 ZINC000037218881 383959434 /nfs/dbraw/zinc/95/94/34/383959434.db2.gz GXZISAVXIMVDAE-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccccn1 ZINC000037218882 343340025 /nfs/dbraw/zinc/34/00/25/343340025.db2.gz GXZISAVXIMVDAE-QWHCGFSZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C1CCCCC1 ZINC000037218883 343339922 /nfs/dbraw/zinc/33/99/22/343339922.db2.gz GXZISAVXIMVDAE-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccccn1 ZINC000037218884 175919782 /nfs/dbraw/zinc/91/97/82/175919782.db2.gz GXZISAVXIMVDAE-CHWSQXEVSA-N 1 0 232.371 3.701 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)c1 ZINC000037218893 179183030 /nfs/dbraw/zinc/18/30/30/179183030.db2.gz QXCZRFHUUBRJOE-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)c1 ZINC000037218894 179195731 /nfs/dbraw/zinc/19/57/31/179195731.db2.gz QXCZRFHUUBRJOE-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)c1 ZINC000037218895 179182067 /nfs/dbraw/zinc/18/20/67/179182067.db2.gz QXCZRFHUUBRJOE-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccccn2)c1 ZINC000037218896 179197368 /nfs/dbraw/zinc/19/73/68/179197368.db2.gz QXCZRFHUUBRJOE-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CC2CC2)cc1 ZINC000037223571 188437315 /nfs/dbraw/zinc/43/73/15/188437315.db2.gz XYDKELKHJYDFFI-OAHLLOKOSA-N 1 0 217.356 3.700 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CC2CC2)cc1 ZINC000037223572 387562458 /nfs/dbraw/zinc/56/24/58/387562458.db2.gz XYDKELKHJYDFFI-HNNXBMFYSA-N 1 0 217.356 3.700 20 0 BHADRO CCOCCC[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000037223875 170383272 /nfs/dbraw/zinc/38/32/72/170383272.db2.gz YCZROKMCSQNUDO-MRXNPFEDSA-N 1 0 249.398 3.716 20 0 BHADRO CCOCCC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000037223876 170382599 /nfs/dbraw/zinc/38/25/99/170382599.db2.gz YCZROKMCSQNUDO-INIZCTEOSA-N 1 0 249.398 3.716 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000037228224 387050885 /nfs/dbraw/zinc/05/08/85/387050885.db2.gz RBEOBULOTAODIG-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000037228225 387050305 /nfs/dbraw/zinc/05/03/05/387050305.db2.gz RBEOBULOTAODIG-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO CC1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000037228354 168164845 /nfs/dbraw/zinc/16/48/45/168164845.db2.gz JDHVMNMUAPDWTB-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000037228377 176080590 /nfs/dbraw/zinc/08/05/90/176080590.db2.gz JQMPSGUMUZFKGE-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000037228378 177082546 /nfs/dbraw/zinc/08/25/46/177082546.db2.gz JQMPSGUMUZFKGE-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000037228379 176088689 /nfs/dbraw/zinc/08/86/89/176088689.db2.gz JQMPSGUMUZFKGE-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000037228380 177089050 /nfs/dbraw/zinc/08/90/50/177089050.db2.gz JQMPSGUMUZFKGE-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000037228398 355834008 /nfs/dbraw/zinc/83/40/08/355834008.db2.gz YRBXRGIAQMGPMK-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1C ZINC000037228510 324460121 /nfs/dbraw/zinc/46/01/21/324460121.db2.gz PXCICZQYSWPIBW-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000037228511 388606288 /nfs/dbraw/zinc/60/62/88/388606288.db2.gz PXCICZQYSWPIBW-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cccnc1 ZINC000037228943 387562102 /nfs/dbraw/zinc/56/21/02/387562102.db2.gz JRJIAGBXXRBWLN-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cccnc1 ZINC000037228944 176915091 /nfs/dbraw/zinc/91/50/91/176915091.db2.gz JRJIAGBXXRBWLN-QWHCGFSZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C1CCCCC1 ZINC000037228945 358470995 /nfs/dbraw/zinc/47/09/95/358470995.db2.gz JRJIAGBXXRBWLN-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cccnc1 ZINC000037228946 175919587 /nfs/dbraw/zinc/91/95/87/175919587.db2.gz JRJIAGBXXRBWLN-CHWSQXEVSA-N 1 0 232.371 3.701 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000037228955 179183078 /nfs/dbraw/zinc/18/30/78/179183078.db2.gz KVPPTDZFZUJMEF-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000037228956 179196775 /nfs/dbraw/zinc/19/67/75/179196775.db2.gz KVPPTDZFZUJMEF-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000037228957 179182562 /nfs/dbraw/zinc/18/25/62/179182562.db2.gz KVPPTDZFZUJMEF-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000037228958 179197546 /nfs/dbraw/zinc/19/75/46/179197546.db2.gz KVPPTDZFZUJMEF-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037229849 324460156 /nfs/dbraw/zinc/46/01/56/324460156.db2.gz IWTPFGDCLCTLFB-IUODEOHRSA-N 1 0 217.356 3.842 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037229850 324460602 /nfs/dbraw/zinc/46/06/02/324460602.db2.gz IWTPFGDCLCTLFB-SWLSCSKDSA-N 1 0 217.356 3.842 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000037229852 388605979 /nfs/dbraw/zinc/60/59/79/388605979.db2.gz IWTPFGDCLCTLFB-DOMZBBRYSA-N 1 0 217.356 3.842 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000037229854 388606266 /nfs/dbraw/zinc/60/62/66/388606266.db2.gz IWTPFGDCLCTLFB-WFASDCNBSA-N 1 0 217.356 3.842 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000037230209 324460140 /nfs/dbraw/zinc/46/01/40/324460140.db2.gz PMLFGWFMVOCTBZ-NSHDSACASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000037230211 388605804 /nfs/dbraw/zinc/60/58/04/388605804.db2.gz PMLFGWFMVOCTBZ-LLVKDONJSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000037230229 324461056 /nfs/dbraw/zinc/46/10/56/324461056.db2.gz NPMZSMJXDCQGEH-GFCCVEGCSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000037230231 388606086 /nfs/dbraw/zinc/60/60/86/388606086.db2.gz NPMZSMJXDCQGEH-LBPRGKRZSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cc(C)c(C[NH2+]C(C2CC2)C2CC2)cc1C ZINC000037230244 324460781 /nfs/dbraw/zinc/46/07/81/324460781.db2.gz VJAXKPMMIZNDJS-UHFFFAOYSA-N 1 0 243.394 3.890 20 0 BHADRO Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1C ZINC000037230278 178602320 /nfs/dbraw/zinc/60/23/20/178602320.db2.gz VGURGWBQOICWMZ-UHFFFAOYSA-N 1 0 229.367 3.582 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000037230791 384490109 /nfs/dbraw/zinc/49/01/09/384490109.db2.gz BWQSMROQCGFBNM-CYBMUJFWSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000037230792 384490166 /nfs/dbraw/zinc/49/01/66/384490166.db2.gz BWQSMROQCGFBNM-ZDUSSCGKSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037231440 324460712 /nfs/dbraw/zinc/46/07/12/324460712.db2.gz ZMCKXSKHWSJMMD-ZIAGYGMSSA-N 1 0 219.372 3.958 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037231441 398311871 /nfs/dbraw/zinc/31/18/71/398311871.db2.gz ZMCKXSKHWSJMMD-KGLIPLIRSA-N 1 0 219.372 3.958 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037231442 398311885 /nfs/dbraw/zinc/31/18/85/398311885.db2.gz ZMCKXSKHWSJMMD-UONOGXRCSA-N 1 0 219.372 3.958 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037231443 324460111 /nfs/dbraw/zinc/46/01/11/324460111.db2.gz ZMCKXSKHWSJMMD-KBPBESRZSA-N 1 0 219.372 3.958 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000037231444 388606317 /nfs/dbraw/zinc/60/63/17/388606317.db2.gz FHFXGGPUFMUQRM-HIFRSBDPSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000037231445 388605988 /nfs/dbraw/zinc/60/59/88/388605988.db2.gz FHFXGGPUFMUQRM-UKRRQHHQSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000037231446 324460492 /nfs/dbraw/zinc/46/04/92/324460492.db2.gz FHFXGGPUFMUQRM-ZFWWWQNUSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000037231447 388606050 /nfs/dbraw/zinc/60/60/50/388606050.db2.gz FHFXGGPUFMUQRM-DZGCQCFKSA-N 1 0 219.372 3.814 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cccs2)c1 ZINC000037231970 179182680 /nfs/dbraw/zinc/18/26/80/179182680.db2.gz BGBIGXQSPATHMM-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cccs2)c1 ZINC000037231971 179196868 /nfs/dbraw/zinc/19/68/68/179196868.db2.gz BGBIGXQSPATHMM-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CCCC[C@H]([NH2+]CCCOC)c1ccccc1 ZINC000037232422 169011895 /nfs/dbraw/zinc/01/18/95/169011895.db2.gz GUMGYMLBXUFYPK-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCC[C@@H]([NH2+]CCCOC)c1ccccc1 ZINC000037232423 358471069 /nfs/dbraw/zinc/47/10/69/358471069.db2.gz GUMGYMLBXUFYPK-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCC[C@H]([NH2+]CCCOC)c1ccccc1 ZINC000037232431 712554648 /nfs/dbraw/zinc/55/46/48/712554648.db2.gz XVLSAODLXVYUCS-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCCC[C@@H]([NH2+]CCCOC)c1ccccc1 ZINC000037232432 712554745 /nfs/dbraw/zinc/55/47/45/712554745.db2.gz XVLSAODLXVYUCS-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO COCCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037232500 174249404 /nfs/dbraw/zinc/24/94/04/174249404.db2.gz LPSJYKBIUQDALV-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO COCCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037232501 174251415 /nfs/dbraw/zinc/25/14/15/174251415.db2.gz LPSJYKBIUQDALV-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037232875 324461926 /nfs/dbraw/zinc/46/19/26/324461926.db2.gz RBHJNADFPKMYDH-OLZOCXBDSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037232876 324462226 /nfs/dbraw/zinc/46/22/26/324462226.db2.gz RBHJNADFPKMYDH-STQMWFEESA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000037232877 324461470 /nfs/dbraw/zinc/46/14/70/324461470.db2.gz RBHJNADFPKMYDH-CHWSQXEVSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000037232878 324462063 /nfs/dbraw/zinc/46/20/63/324462063.db2.gz RBHJNADFPKMYDH-QWHCGFSZSA-N 1 0 223.360 3.769 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccco1)C(C)C ZINC000037232879 388605453 /nfs/dbraw/zinc/60/54/53/388605453.db2.gz SUYVMSYNDGHFCC-JSGCOSHPSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(C)C ZINC000037232880 388605984 /nfs/dbraw/zinc/60/59/84/388605984.db2.gz SUYVMSYNDGHFCC-GXTWGEPZSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccco1)C(C)C ZINC000037232881 324461331 /nfs/dbraw/zinc/46/13/31/324461331.db2.gz SUYVMSYNDGHFCC-OCCSQVGLSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccco1)C(C)C ZINC000037232882 324461899 /nfs/dbraw/zinc/46/18/99/324461899.db2.gz SUYVMSYNDGHFCC-TZMCWYRMSA-N 1 0 223.360 3.625 20 0 BHADRO Fc1ccc(F)c(C[NH2+]C2CCCCCC2)c1 ZINC000037233100 363879685 /nfs/dbraw/zinc/87/96/85/363879685.db2.gz QDJPJJAIWUSWBP-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000037233104 166892217 /nfs/dbraw/zinc/89/22/17/166892217.db2.gz NOFGVJQPMVARFO-LLVKDONJSA-N 1 0 241.325 3.879 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000037233106 363879624 /nfs/dbraw/zinc/87/96/24/363879624.db2.gz NOFGVJQPMVARFO-NSHDSACASA-N 1 0 241.325 3.879 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000037233186 179094302 /nfs/dbraw/zinc/09/43/02/179094302.db2.gz QUFFDUHVRUUMFB-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO CCCCCC[NH2+]Cc1cc(F)ccc1F ZINC000037233236 712554644 /nfs/dbraw/zinc/55/46/44/712554644.db2.gz VXAZRNKKLNOVNC-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO CC(C)COCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000037234194 388606738 /nfs/dbraw/zinc/60/67/38/388606738.db2.gz VDXFZQNRYNIMDO-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)COCCC[NH2+][C@H](C)C1CCCCC1 ZINC000037234196 324462811 /nfs/dbraw/zinc/46/28/11/324462811.db2.gz VDXFZQNRYNIMDO-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000037234208 356354979 /nfs/dbraw/zinc/35/49/79/356354979.db2.gz MMGRXXBPWXWCQB-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000037234210 356355090 /nfs/dbraw/zinc/35/50/90/356355090.db2.gz MMGRXXBPWXWCQB-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000037237311 388607038 /nfs/dbraw/zinc/60/70/38/388607038.db2.gz JSUXNIXJBZZURR-CQSZACIVSA-N 1 0 241.419 3.894 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000037237313 388606838 /nfs/dbraw/zinc/60/68/38/388606838.db2.gz JSUXNIXJBZZURR-AWEZNQCLSA-N 1 0 241.419 3.894 20 0 BHADRO CC[C@H]([NH2+]CCCOC1CCCCC1)C(C)C ZINC000037237315 388606790 /nfs/dbraw/zinc/60/67/90/388606790.db2.gz YEJFUIVAZFDHMM-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCCOC1CCCCC1)C(C)C ZINC000037237317 324462755 /nfs/dbraw/zinc/46/27/55/324462755.db2.gz YEJFUIVAZFDHMM-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](CC)CO)c1ccccc1 ZINC000037238654 712556639 /nfs/dbraw/zinc/55/66/39/712556639.db2.gz DMXIMIUGITYQKH-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@@H](CO)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037238976 387563283 /nfs/dbraw/zinc/56/32/83/387563283.db2.gz VHECZSMHKPGDCW-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](CO)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037238978 387563200 /nfs/dbraw/zinc/56/32/00/387563200.db2.gz VHECZSMHKPGDCW-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](CO)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037238980 387563260 /nfs/dbraw/zinc/56/32/60/387563260.db2.gz VHECZSMHKPGDCW-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](CO)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037238982 387563451 /nfs/dbraw/zinc/56/34/51/387563451.db2.gz VHECZSMHKPGDCW-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)OCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000037239799 324463486 /nfs/dbraw/zinc/46/34/86/324463486.db2.gz IPDJFJPJOLROPN-INIZCTEOSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)OCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037239800 324463892 /nfs/dbraw/zinc/46/38/92/324463892.db2.gz IPDJFJPJOLROPN-MRXNPFEDSA-N 1 0 249.398 3.788 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000037241907 358470283 /nfs/dbraw/zinc/47/02/83/358470283.db2.gz ZXGMFFSWXBWSLU-DGCLKSJQSA-N 1 0 221.344 3.825 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000037241909 168990598 /nfs/dbraw/zinc/99/05/98/168990598.db2.gz ZXGMFFSWXBWSLU-WCQYABFASA-N 1 0 221.344 3.825 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000037241911 358470380 /nfs/dbraw/zinc/47/03/80/358470380.db2.gz ZXGMFFSWXBWSLU-YPMHNXCESA-N 1 0 221.344 3.825 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000037241913 358471064 /nfs/dbraw/zinc/47/10/64/358471064.db2.gz ZXGMFFSWXBWSLU-AAEUAGOBSA-N 1 0 221.344 3.825 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000037242915 388606956 /nfs/dbraw/zinc/60/69/56/388606956.db2.gz XDQPHOVTEIDZQF-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000037242920 324463901 /nfs/dbraw/zinc/46/39/01/324463901.db2.gz XDQPHOVTEIDZQF-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC000037246852 324478644 /nfs/dbraw/zinc/47/86/44/324478644.db2.gz PUYCQFAXNMFBTQ-LBPRGKRZSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC000037246855 324478677 /nfs/dbraw/zinc/47/86/77/324478677.db2.gz PUYCQFAXNMFBTQ-GFCCVEGCSA-N 1 0 235.346 3.884 20 0 BHADRO CCOc1ccccc1C[NH2+]CC1CCCCC1 ZINC000037247785 324482114 /nfs/dbraw/zinc/48/21/14/324482114.db2.gz VJSYAPYKFCPLKY-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CCOc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000037247787 363881750 /nfs/dbraw/zinc/88/17/50/363881750.db2.gz UULWFEGZPGGBKF-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Cc1cc(C[NH2+]CC2CCCCC2)cc(C)c1O ZINC000037247823 388612295 /nfs/dbraw/zinc/61/22/95/388612295.db2.gz IKPZOWOZIFUDCB-UHFFFAOYSA-N 1 0 247.382 3.679 20 0 BHADRO Fc1cccc(F)c1C[NH2+]CC1CCCCC1 ZINC000037247840 181000826 /nfs/dbraw/zinc/00/08/26/181000826.db2.gz LRZMTHCYKBWSOW-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO Fc1ccc(C[NH2+]CC2CCCCC2)cc1F ZINC000037247842 363881401 /nfs/dbraw/zinc/88/14/01/363881401.db2.gz LWBGYOWYYAWGBT-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO Fc1ccc(C[NH2+]CC2CCCCC2)c(F)c1 ZINC000037247850 361778807 /nfs/dbraw/zinc/77/88/07/361778807.db2.gz BZLHIASZLAVLMX-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO C1=CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC000037248315 384490300 /nfs/dbraw/zinc/49/03/00/384490300.db2.gz HOBFUKCOHAANKB-ZDUSSCGKSA-N 1 0 207.361 3.513 20 0 BHADRO C1=CC[C@@H](C[NH2+]CC2CCCCC2)CC1 ZINC000037248317 322827626 /nfs/dbraw/zinc/82/76/26/322827626.db2.gz HOBFUKCOHAANKB-CYBMUJFWSA-N 1 0 207.361 3.513 20 0 BHADRO Cc1ccsc1C[NH2+]CC1CCCCC1 ZINC000037248325 322827628 /nfs/dbraw/zinc/82/76/28/322827628.db2.gz OKCIEVRXUWQITP-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCCCC2)s1 ZINC000037248341 384488987 /nfs/dbraw/zinc/48/89/87/384488987.db2.gz QBMIOAUWZSFYID-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037248351 322827548 /nfs/dbraw/zinc/82/75/48/322827548.db2.gz AZVUBWFKJZZXDR-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037248353 385634284 /nfs/dbraw/zinc/63/42/84/385634284.db2.gz AZVUBWFKJZZXDR-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000037248355 385634363 /nfs/dbraw/zinc/63/43/63/385634363.db2.gz AZVUBWFKJZZXDR-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000037248357 322827543 /nfs/dbraw/zinc/82/75/43/322827543.db2.gz AZVUBWFKJZZXDR-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037248786 388611955 /nfs/dbraw/zinc/61/19/55/388611955.db2.gz OSYMQJUTNUAFMC-SWLSCSKDSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037248788 323200987 /nfs/dbraw/zinc/20/09/87/323200987.db2.gz OSYMQJUTNUAFMC-WFASDCNBSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037248790 323200985 /nfs/dbraw/zinc/20/09/85/323200985.db2.gz OSYMQJUTNUAFMC-IUODEOHRSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037248792 388612288 /nfs/dbraw/zinc/61/22/88/388612288.db2.gz OSYMQJUTNUAFMC-DOMZBBRYSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)o1 ZINC000037249143 387563512 /nfs/dbraw/zinc/56/35/12/387563512.db2.gz LOGNMVFTRQRYRH-WCFLWFBJSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)o1 ZINC000037249147 387563097 /nfs/dbraw/zinc/56/30/97/387563097.db2.gz LOGNMVFTRQRYRH-DRZSPHRISA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCCCC2)o1 ZINC000037249149 324483619 /nfs/dbraw/zinc/48/36/19/324483619.db2.gz RKPOVSWDQWPETA-GFCCVEGCSA-N 1 0 221.344 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCCCC2)o1 ZINC000037249151 566459537 /nfs/dbraw/zinc/45/95/37/566459537.db2.gz RKPOVSWDQWPETA-LBPRGKRZSA-N 1 0 221.344 3.819 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000037249540 324483333 /nfs/dbraw/zinc/48/33/33/324483333.db2.gz NPUMOJXMDQFOKE-CYBMUJFWSA-N 1 0 235.371 3.608 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000037249542 566459279 /nfs/dbraw/zinc/45/92/79/566459279.db2.gz NPUMOJXMDQFOKE-ZDUSSCGKSA-N 1 0 235.371 3.608 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000037249544 175093348 /nfs/dbraw/zinc/09/33/48/175093348.db2.gz ANLAQLSGZGDEPW-UONOGXRCSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000037249546 175094041 /nfs/dbraw/zinc/09/40/41/175094041.db2.gz ANLAQLSGZGDEPW-KBPBESRZSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000037249548 175092921 /nfs/dbraw/zinc/09/29/21/175092921.db2.gz ANLAQLSGZGDEPW-ZIAGYGMSSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000037249550 175092492 /nfs/dbraw/zinc/09/24/92/175092492.db2.gz ANLAQLSGZGDEPW-KGLIPLIRSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H](C)C(C)C)C2CC2)cc1 ZINC000037249746 175193301 /nfs/dbraw/zinc/19/33/01/175193301.db2.gz DOAQZDCNXINPFZ-MLGOLLRUSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H](C)C(C)C)C2CC2)cc1 ZINC000037249748 175193501 /nfs/dbraw/zinc/19/35/01/175193501.db2.gz DOAQZDCNXINPFZ-BLLLJJGKSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@H](C)C(C)C)C2CC2)cc1 ZINC000037249750 191069563 /nfs/dbraw/zinc/06/95/63/191069563.db2.gz DOAQZDCNXINPFZ-WBMJQRKESA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@@H](C)C(C)C)C2CC2)cc1 ZINC000037249752 712558321 /nfs/dbraw/zinc/55/83/21/712558321.db2.gz DOAQZDCNXINPFZ-LRDDRELGSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037250017 538962238 /nfs/dbraw/zinc/96/22/38/538962238.db2.gz LMGZVBWBHYIRPM-BXUZGUMPSA-N 1 0 235.396 3.609 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037250019 538962388 /nfs/dbraw/zinc/96/23/88/538962388.db2.gz LMGZVBWBHYIRPM-SMDDNHRTSA-N 1 0 235.396 3.609 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037250021 538962528 /nfs/dbraw/zinc/96/25/28/538962528.db2.gz LMGZVBWBHYIRPM-RISCZKNCSA-N 1 0 235.396 3.609 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037250023 538962185 /nfs/dbraw/zinc/96/21/85/538962185.db2.gz LMGZVBWBHYIRPM-FZMZJTMJSA-N 1 0 235.396 3.609 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037251327 384488757 /nfs/dbraw/zinc/48/87/57/384488757.db2.gz OMMNIXPCPLDCCO-CMPLNLGQSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037251329 384490055 /nfs/dbraw/zinc/49/00/55/384490055.db2.gz OMMNIXPCPLDCCO-JQWIXIFHSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037251331 384488392 /nfs/dbraw/zinc/48/83/92/384488392.db2.gz OMMNIXPCPLDCCO-ZYHUDNBSSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037251333 322827542 /nfs/dbraw/zinc/82/75/42/322827542.db2.gz OMMNIXPCPLDCCO-PWSUYJOCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2CCCC2)c(C)c1 ZINC000037252031 388613302 /nfs/dbraw/zinc/61/33/02/388613302.db2.gz IJLXJWVFMBRDSD-UHFFFAOYSA-N 1 0 231.383 3.892 20 0 BHADRO CCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000037252033 324484476 /nfs/dbraw/zinc/48/44/76/324484476.db2.gz XGWDSPZZVGJJNV-UHFFFAOYSA-N 1 0 217.356 3.529 20 0 BHADRO CSc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000037252042 388613224 /nfs/dbraw/zinc/61/32/24/388613224.db2.gz KYHZFJPFMPSAMM-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO Clc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000037252138 322827459 /nfs/dbraw/zinc/82/74/59/322827459.db2.gz ALKUDOQGRDHJHC-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO c1cnc2ccc(C[NH2+]CC3CCCC3)cc2c1 ZINC000037252159 383964887 /nfs/dbraw/zinc/96/48/87/383964887.db2.gz UAFQZOOOIHNSOQ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCCC2)c(C)c1 ZINC000037252161 324484248 /nfs/dbraw/zinc/48/42/48/324484248.db2.gz ZDIVSZOINQRTIJ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCCOc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000037252183 388613117 /nfs/dbraw/zinc/61/31/17/388613117.db2.gz OCOWFJGMJGLHKE-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO c1cnc2c(c1)cccc2C[NH2+]CC1CCCC1 ZINC000037252200 383963550 /nfs/dbraw/zinc/96/35/50/383963550.db2.gz XFTNOVKWIXRGPJ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCCC2)o1 ZINC000037252215 388612509 /nfs/dbraw/zinc/61/25/09/388612509.db2.gz QTNLLHZGOHMGED-RISCZKNCSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCCC2)o1 ZINC000037252217 388612651 /nfs/dbraw/zinc/61/26/51/388612651.db2.gz QTNLLHZGOHMGED-FZMZJTMJSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CCCC2)o1 ZINC000037252219 388613286 /nfs/dbraw/zinc/61/32/86/388613286.db2.gz QTNLLHZGOHMGED-BXUZGUMPSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CCCC2)o1 ZINC000037252221 388613200 /nfs/dbraw/zinc/61/32/00/388613200.db2.gz QTNLLHZGOHMGED-SMDDNHRTSA-N 1 0 233.355 3.683 20 0 BHADRO c1c2ccccc2oc1C[NH2+]CC1CCCC1 ZINC000037252280 386467230 /nfs/dbraw/zinc/46/72/30/386467230.db2.gz QGQYRTBTXSFWBU-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCC1CCC([NH2+]CC2CCCC2)CC1 ZINC000037252325 322827454 /nfs/dbraw/zinc/82/74/54/322827454.db2.gz HCVJOOHZPQCXLO-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037252368 323201867 /nfs/dbraw/zinc/20/18/67/323201867.db2.gz ODVXOMHNDMGMRX-PWSUYJOCSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037252370 323201924 /nfs/dbraw/zinc/20/19/24/323201924.db2.gz ODVXOMHNDMGMRX-JQWIXIFHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037252372 323201899 /nfs/dbraw/zinc/20/18/99/323201899.db2.gz ODVXOMHNDMGMRX-ZYHUDNBSSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037252374 323201921 /nfs/dbraw/zinc/20/19/21/323201921.db2.gz ODVXOMHNDMGMRX-CMPLNLGQSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000037252455 324484581 /nfs/dbraw/zinc/48/45/81/324484581.db2.gz WBEMYOMGJFDEBY-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000037252457 388612759 /nfs/dbraw/zinc/61/27/59/388612759.db2.gz WBEMYOMGJFDEBY-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000037252459 388612858 /nfs/dbraw/zinc/61/28/58/388612858.db2.gz WBEMYOMGJFDEBY-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000037252461 324484238 /nfs/dbraw/zinc/48/42/38/324484238.db2.gz WBEMYOMGJFDEBY-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037252463 324484444 /nfs/dbraw/zinc/48/44/44/324484444.db2.gz NZJZJSSUPZCRFA-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037252465 324484281 /nfs/dbraw/zinc/48/42/81/324484281.db2.gz NZJZJSSUPZCRFA-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037252466 388613028 /nfs/dbraw/zinc/61/30/28/388613028.db2.gz NZJZJSSUPZCRFA-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037252469 324484586 /nfs/dbraw/zinc/48/45/86/324484586.db2.gz NZJZJSSUPZCRFA-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037252527 176143950 /nfs/dbraw/zinc/14/39/50/176143950.db2.gz DGNVQZVQOBFPNA-MFKMUULPSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037252530 177137083 /nfs/dbraw/zinc/13/70/83/177137083.db2.gz DGNVQZVQOBFPNA-GWCFXTLKSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037252531 176123280 /nfs/dbraw/zinc/12/32/80/176123280.db2.gz DGNVQZVQOBFPNA-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037252533 398312732 /nfs/dbraw/zinc/31/27/32/398312732.db2.gz DGNVQZVQOBFPNA-GXFFZTMASA-N 1 0 239.309 3.633 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc(C)c1O ZINC000037252654 178033393 /nfs/dbraw/zinc/03/33/93/178033393.db2.gz AJAIZNJSICTPNG-XHDPSFHLSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)cc(C)c1O ZINC000037252656 178040720 /nfs/dbraw/zinc/04/07/20/178040720.db2.gz AJAIZNJSICTPNG-NHYWBVRUSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc(C)c1O ZINC000037252658 178033403 /nfs/dbraw/zinc/03/34/03/178033403.db2.gz AJAIZNJSICTPNG-IAQYHMDHSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc(C)c1O ZINC000037252660 178040597 /nfs/dbraw/zinc/04/05/97/178040597.db2.gz AJAIZNJSICTPNG-ABAIWWIYSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)s1 ZINC000037252821 384488642 /nfs/dbraw/zinc/48/86/42/384488642.db2.gz PYXJRGVHGZZZLN-CMPLNLGQSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)s1 ZINC000037252823 322827483 /nfs/dbraw/zinc/82/74/83/322827483.db2.gz PYXJRGVHGZZZLN-JQWIXIFHSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)s1 ZINC000037252825 322827552 /nfs/dbraw/zinc/82/75/52/322827552.db2.gz PYXJRGVHGZZZLN-ZYHUDNBSSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)s1 ZINC000037252827 322827538 /nfs/dbraw/zinc/82/75/38/322827538.db2.gz PYXJRGVHGZZZLN-PWSUYJOCSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000037252852 384488367 /nfs/dbraw/zinc/48/83/67/384488367.db2.gz COQBQFVJZGCYLQ-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000037252856 322827537 /nfs/dbraw/zinc/82/75/37/322827537.db2.gz COQBQFVJZGCYLQ-HZSPNIEDSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037253514 324485541 /nfs/dbraw/zinc/48/55/41/324485541.db2.gz GIMBHRNQEMMBMY-MFKMUULPSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037253516 388612949 /nfs/dbraw/zinc/61/29/49/388612949.db2.gz GIMBHRNQEMMBMY-GWCFXTLKSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037253518 324485359 /nfs/dbraw/zinc/48/53/59/324485359.db2.gz GIMBHRNQEMMBMY-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037253520 388613123 /nfs/dbraw/zinc/61/31/23/388613123.db2.gz GIMBHRNQEMMBMY-GXFFZTMASA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC000037253559 358472040 /nfs/dbraw/zinc/47/20/40/358472040.db2.gz OVWRXGSMTPJBRT-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC000037253561 387563442 /nfs/dbraw/zinc/56/34/42/387563442.db2.gz OVWRXGSMTPJBRT-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253675 324485610 /nfs/dbraw/zinc/48/56/10/324485610.db2.gz CZXUEWXGHSWBGS-INIZCTEOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253677 388612784 /nfs/dbraw/zinc/61/27/84/388612784.db2.gz CZXUEWXGHSWBGS-MRXNPFEDSA-N 1 0 229.367 3.836 20 0 BHADRO COc1ccc([C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253746 324495936 /nfs/dbraw/zinc/49/59/36/324495936.db2.gz FEXHNWRVHHFMAW-MRXNPFEDSA-N 1 0 245.366 3.536 20 0 BHADRO COc1ccc([C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253748 324495869 /nfs/dbraw/zinc/49/58/69/324495869.db2.gz FEXHNWRVHHFMAW-INIZCTEOSA-N 1 0 245.366 3.536 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2CCC2)cc1C ZINC000037253758 388615996 /nfs/dbraw/zinc/61/59/96/388615996.db2.gz SMXBOKYPFGLISZ-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1Cl ZINC000037253779 324495973 /nfs/dbraw/zinc/49/59/73/324495973.db2.gz HWFQUVPOVPAYHP-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1Cl ZINC000037253780 324495707 /nfs/dbraw/zinc/49/57/07/324495707.db2.gz HWFQUVPOVPAYHP-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037253875 324495968 /nfs/dbraw/zinc/49/59/68/324495968.db2.gz AJASUPPKGMNULM-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000037253877 388616002 /nfs/dbraw/zinc/61/60/02/388616002.db2.gz AJASUPPKGMNULM-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO Fc1ccc([C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253891 388615887 /nfs/dbraw/zinc/61/58/87/388615887.db2.gz YTEJDHMYCBAGNG-OAHLLOKOSA-N 1 0 233.330 3.667 20 0 BHADRO Fc1ccc([C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000037253893 388616066 /nfs/dbraw/zinc/61/60/66/388616066.db2.gz YTEJDHMYCBAGNG-HNNXBMFYSA-N 1 0 233.330 3.667 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000037254193 175293036 /nfs/dbraw/zinc/29/30/36/175293036.db2.gz WMUVFXVJCKOFMH-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000037254195 175293112 /nfs/dbraw/zinc/29/31/12/175293112.db2.gz WMUVFXVJCKOFMH-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000037254197 175293067 /nfs/dbraw/zinc/29/30/67/175293067.db2.gz WMUVFXVJCKOFMH-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000037254199 175293327 /nfs/dbraw/zinc/29/33/27/175293327.db2.gz WMUVFXVJCKOFMH-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000037254201 175190082 /nfs/dbraw/zinc/19/00/82/175190082.db2.gz RNGZDOCHIBTJSA-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000037254203 175190272 /nfs/dbraw/zinc/19/02/72/175190272.db2.gz RNGZDOCHIBTJSA-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000037254205 175189876 /nfs/dbraw/zinc/18/98/76/175189876.db2.gz RNGZDOCHIBTJSA-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000037254207 175189736 /nfs/dbraw/zinc/18/97/36/175189736.db2.gz RNGZDOCHIBTJSA-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+]CC1CCCC1)c1ccccc1OC ZINC000037254846 712560856 /nfs/dbraw/zinc/56/08/56/712560856.db2.gz RSRORQSAYDWUOO-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCC1)c1ccccc1OC ZINC000037254848 712560834 /nfs/dbraw/zinc/56/08/34/712560834.db2.gz RSRORQSAYDWUOO-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2CCCC2)c1 ZINC000037254945 323204170 /nfs/dbraw/zinc/20/41/70/323204170.db2.gz WSYAYBLLJUDEFM-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2CCCC2)c1 ZINC000037254947 323204086 /nfs/dbraw/zinc/20/40/86/323204086.db2.gz WSYAYBLLJUDEFM-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037255019 358060322 /nfs/dbraw/zinc/06/03/22/358060322.db2.gz QHZJVYSCXQTUCK-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037255021 358060344 /nfs/dbraw/zinc/06/03/44/358060344.db2.gz QHZJVYSCXQTUCK-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)s1 ZINC000037255418 324495359 /nfs/dbraw/zinc/49/53/59/324495359.db2.gz NQVBBBSXTVXLDY-NWDGAFQWSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)s1 ZINC000037255420 388615816 /nfs/dbraw/zinc/61/58/16/388615816.db2.gz NQVBBBSXTVXLDY-RYUDHWBXSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)s1 ZINC000037255422 388615894 /nfs/dbraw/zinc/61/58/94/388615894.db2.gz NQVBBBSXTVXLDY-VXGBXAGGSA-N 1 0 237.412 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)s1 ZINC000037255424 324495325 /nfs/dbraw/zinc/49/53/25/324495325.db2.gz NQVBBBSXTVXLDY-NEPJUHHUSA-N 1 0 237.412 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000037255626 384489935 /nfs/dbraw/zinc/48/99/35/384489935.db2.gz FAYDDFXWCXMNEK-OLZOCXBDSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000037255628 384489425 /nfs/dbraw/zinc/48/94/25/384489425.db2.gz FAYDDFXWCXMNEK-STQMWFEESA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000037255630 384489993 /nfs/dbraw/zinc/48/99/93/384489993.db2.gz FAYDDFXWCXMNEK-CHWSQXEVSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000037255632 322827882 /nfs/dbraw/zinc/82/78/82/322827882.db2.gz FAYDDFXWCXMNEK-QWHCGFSZSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037255727 388615702 /nfs/dbraw/zinc/61/57/02/388615702.db2.gz SCPYKWZWQLUWAJ-CZUORRHYSA-N 1 0 231.383 3.568 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037255729 324495980 /nfs/dbraw/zinc/49/59/80/324495980.db2.gz SCPYKWZWQLUWAJ-XJKSGUPXSA-N 1 0 231.383 3.568 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037255731 388615883 /nfs/dbraw/zinc/61/58/83/388615883.db2.gz SCPYKWZWQLUWAJ-CJNGLKHVSA-N 1 0 231.383 3.568 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037255733 324495792 /nfs/dbraw/zinc/49/57/92/324495792.db2.gz SCPYKWZWQLUWAJ-BBRMVZONSA-N 1 0 231.383 3.568 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037255850 712560857 /nfs/dbraw/zinc/56/08/57/712560857.db2.gz SYKFSGYNKAZXEX-OLZOCXBDSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037255851 712560704 /nfs/dbraw/zinc/56/07/04/712560704.db2.gz SYKFSGYNKAZXEX-STQMWFEESA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037255852 712560861 /nfs/dbraw/zinc/56/08/61/712560861.db2.gz SYKFSGYNKAZXEX-CHWSQXEVSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037255853 712560758 /nfs/dbraw/zinc/56/07/58/712560758.db2.gz SYKFSGYNKAZXEX-QWHCGFSZSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037256007 538962225 /nfs/dbraw/zinc/96/22/25/538962225.db2.gz YYYNZLMEYABJRG-IUODEOHRSA-N 1 0 249.423 3.999 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037256009 538962327 /nfs/dbraw/zinc/96/23/27/538962327.db2.gz YYYNZLMEYABJRG-SWLSCSKDSA-N 1 0 249.423 3.999 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037256011 538962130 /nfs/dbraw/zinc/96/21/30/538962130.db2.gz YYYNZLMEYABJRG-DOMZBBRYSA-N 1 0 249.423 3.999 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037256013 538962263 /nfs/dbraw/zinc/96/22/63/538962263.db2.gz YYYNZLMEYABJRG-WFASDCNBSA-N 1 0 249.423 3.999 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCCC2)c(C)o1 ZINC000037257513 178223221 /nfs/dbraw/zinc/22/32/21/178223221.db2.gz BLCCRBRRQWRFKU-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCCC2)c(C)o1 ZINC000037257515 178246466 /nfs/dbraw/zinc/24/64/66/178246466.db2.gz BLCCRBRRQWRFKU-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2CCCC2)c(C)s1 ZINC000037257523 180034811 /nfs/dbraw/zinc/03/48/11/180034811.db2.gz NKUOCMCFOXCYCY-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2CCCC2)c(C)s1 ZINC000037257525 180049012 /nfs/dbraw/zinc/04/90/12/180049012.db2.gz NKUOCMCFOXCYCY-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO CC[C@H]([NH2+]CC1CCCC1)c1cccs1 ZINC000037257604 384489551 /nfs/dbraw/zinc/48/95/51/384489551.db2.gz GCLNVUIHVGCUSY-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCC1)c1cccs1 ZINC000037257606 384489336 /nfs/dbraw/zinc/48/93/36/384489336.db2.gz GCLNVUIHVGCUSY-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCCC2)s1 ZINC000037257707 711465936 /nfs/dbraw/zinc/46/59/36/711465936.db2.gz MCZDAGGVIXMUJN-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCCC2)s1 ZINC000037257709 711466500 /nfs/dbraw/zinc/46/65/00/711466500.db2.gz MCZDAGGVIXMUJN-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(F)cc1F ZINC000037257865 175870092 /nfs/dbraw/zinc/87/00/92/175870092.db2.gz FQXJRSPUXBJURF-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2CCCC2)c1 ZINC000037258007 175292707 /nfs/dbraw/zinc/29/27/07/175292707.db2.gz FVRPBEQIWLUKFR-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2CCCC2)c1 ZINC000037258009 175286347 /nfs/dbraw/zinc/28/63/47/175286347.db2.gz FVRPBEQIWLUKFR-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1 ZINC000037258019 175188577 /nfs/dbraw/zinc/18/85/77/175188577.db2.gz SOZMCKIFVMQSAN-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1 ZINC000037258021 386509976 /nfs/dbraw/zinc/50/99/76/386509976.db2.gz SOZMCKIFVMQSAN-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1c(F)cccc1F ZINC000037258090 712560708 /nfs/dbraw/zinc/56/07/08/712560708.db2.gz RQKXYTLTNZEIQL-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037258117 175351271 /nfs/dbraw/zinc/35/12/71/175351271.db2.gz WVHHXUCFNGYXIR-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037258119 175344193 /nfs/dbraw/zinc/34/41/93/175344193.db2.gz WVHHXUCFNGYXIR-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037258150 384489767 /nfs/dbraw/zinc/48/97/67/384489767.db2.gz AUGMKGCZWJXJTQ-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037258152 384488186 /nfs/dbraw/zinc/48/81/86/384488186.db2.gz AUGMKGCZWJXJTQ-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CC1CCCC1 ZINC000037258159 363882384 /nfs/dbraw/zinc/88/23/84/363882384.db2.gz CKPVINDELKNMHQ-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CC1CCCC1 ZINC000037258163 355863678 /nfs/dbraw/zinc/86/36/78/355863678.db2.gz CKPVINDELKNMHQ-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CCc1ccc(C[NH2+]CC2CCCC2)s1 ZINC000037258523 384489848 /nfs/dbraw/zinc/48/98/48/384489848.db2.gz XQGRLSQNDXIPJY-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO Fc1ccc(C[NH2+]CC2CCCC2)c(Cl)c1 ZINC000037258583 324495407 /nfs/dbraw/zinc/49/54/07/324495407.db2.gz LSPPCDFTWBIQKI-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC(C)[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000037259157 388616863 /nfs/dbraw/zinc/61/68/63/388616863.db2.gz PSXCLLWJBPJNFM-INIZCTEOSA-N 1 0 243.350 3.809 20 0 BHADRO CC(C)[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000037259159 388616959 /nfs/dbraw/zinc/61/69/59/388616959.db2.gz PSXCLLWJBPJNFM-MRXNPFEDSA-N 1 0 243.350 3.809 20 0 BHADRO Fc1ccc(F)c(C[NH2+]CC2CCCCC2)c1 ZINC000037259221 180973818 /nfs/dbraw/zinc/97/38/18/180973818.db2.gz ROUXKWYHJOMGPP-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H](C)C2CC2)C2CC2)cc1 ZINC000037259367 323204346 /nfs/dbraw/zinc/20/43/46/323204346.db2.gz DWONANOBXBKFQV-LRDDRELGSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)cc1 ZINC000037259369 323204351 /nfs/dbraw/zinc/20/43/51/323204351.db2.gz DWONANOBXBKFQV-BLLLJJGKSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H](C)C2CC2)C2CC2)cc1 ZINC000037259371 323204445 /nfs/dbraw/zinc/20/44/45/323204445.db2.gz DWONANOBXBKFQV-WBMJQRKESA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H](C)C2CC2)C2CC2)cc1 ZINC000037259373 323204353 /nfs/dbraw/zinc/20/43/53/323204353.db2.gz DWONANOBXBKFQV-MLGOLLRUSA-N 1 0 229.367 3.834 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H](C)C2CC2)C2CC2)cc1 ZINC000037259447 175193404 /nfs/dbraw/zinc/19/34/04/175193404.db2.gz BOJLXJRJQJXWDL-MEDUHNTESA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H](C)C2CC2)C2CC2)cc1 ZINC000037259449 175193426 /nfs/dbraw/zinc/19/34/26/175193426.db2.gz BOJLXJRJQJXWDL-BDJLRTHQSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)cc1 ZINC000037259451 343341820 /nfs/dbraw/zinc/34/18/20/343341820.db2.gz BOJLXJRJQJXWDL-ZBEGNZNMSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@H](C)C2CC2)C2CC2)cc1 ZINC000037259453 343341815 /nfs/dbraw/zinc/34/18/15/343341815.db2.gz BOJLXJRJQJXWDL-BZNIZROVSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259487 385025633 /nfs/dbraw/zinc/02/56/33/385025633.db2.gz BNKMXKABVCOZCT-IUCAKERBSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259489 176914135 /nfs/dbraw/zinc/91/41/35/176914135.db2.gz BNKMXKABVCOZCT-DTWKUNHWSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C1CC1 ZINC000037259491 176907982 /nfs/dbraw/zinc/90/79/82/176907982.db2.gz BNKMXKABVCOZCT-BDAKNGLRSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259493 344498061 /nfs/dbraw/zinc/49/80/61/344498061.db2.gz BNKMXKABVCOZCT-RKDXNWHRSA-N 1 0 241.737 3.928 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000037259524 388616925 /nfs/dbraw/zinc/61/69/25/388616925.db2.gz VFJIZPYIIWPKGV-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000037259526 388617197 /nfs/dbraw/zinc/61/71/97/388617197.db2.gz VFJIZPYIIWPKGV-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000037259528 388616787 /nfs/dbraw/zinc/61/67/87/388616787.db2.gz BHOHGPUKNNVTEM-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000037259530 386510930 /nfs/dbraw/zinc/51/09/30/386510930.db2.gz BHOHGPUKNNVTEM-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000037259655 323204345 /nfs/dbraw/zinc/20/43/45/323204345.db2.gz SGAMNUFYCNBPDJ-ZUZCIYMTSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000037259657 323204396 /nfs/dbraw/zinc/20/43/96/323204396.db2.gz SGAMNUFYCNBPDJ-MEBBXXQBSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000037259659 323204334 /nfs/dbraw/zinc/20/43/34/323204334.db2.gz SGAMNUFYCNBPDJ-BONVTDFDSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000037259661 323204384 /nfs/dbraw/zinc/20/43/84/323204384.db2.gz SGAMNUFYCNBPDJ-BMIGLBTASA-N 1 0 233.330 3.665 20 0 BHADRO CCc1ccc(C[NH2+]CC2CCCCC2)s1 ZINC000037259736 388617120 /nfs/dbraw/zinc/61/71/20/388617120.db2.gz KIPRXEXUKGELJM-UHFFFAOYSA-N 1 0 237.412 3.980 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c(C)o1 ZINC000037260450 178230558 /nfs/dbraw/zinc/23/05/58/178230558.db2.gz YRHCCJGATTWFEM-CMPLNLGQSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC(C)C)c(C)o1 ZINC000037260452 178252146 /nfs/dbraw/zinc/25/21/46/178252146.db2.gz YRHCCJGATTWFEM-JQWIXIFHSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC(C)C)c(C)o1 ZINC000037260454 178233383 /nfs/dbraw/zinc/23/33/83/178233383.db2.gz YRHCCJGATTWFEM-ZYHUDNBSSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC(C)C)c(C)o1 ZINC000037260456 178254774 /nfs/dbraw/zinc/25/47/74/178254774.db2.gz YRHCCJGATTWFEM-PWSUYJOCSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)cc(C)c1O ZINC000037260457 178029898 /nfs/dbraw/zinc/02/98/98/178029898.db2.gz DEFVZNJXUKQXEM-ZDUSSCGKSA-N 1 0 235.371 3.533 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)cc(C)c1O ZINC000037260459 178036804 /nfs/dbraw/zinc/03/68/04/178036804.db2.gz DEFVZNJXUKQXEM-CYBMUJFWSA-N 1 0 235.371 3.533 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c(C)s1 ZINC000037260481 538962385 /nfs/dbraw/zinc/96/23/85/538962385.db2.gz OHDNZFPHBRXSGG-VHSXEESVSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CC(C)C)c(C)s1 ZINC000037260483 538962250 /nfs/dbraw/zinc/96/22/50/538962250.db2.gz OHDNZFPHBRXSGG-UWVGGRQHSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CC(C)C)c(C)s1 ZINC000037260485 538962211 /nfs/dbraw/zinc/96/22/11/538962211.db2.gz OHDNZFPHBRXSGG-NXEZZACHSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CC(C)C)c(C)s1 ZINC000037260487 538962508 /nfs/dbraw/zinc/96/25/08/538962508.db2.gz OHDNZFPHBRXSGG-ZJUUUORDSA-N 1 0 240.416 3.845 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037260692 383965237 /nfs/dbraw/zinc/96/52/37/383965237.db2.gz SNONFGFSTUHVRD-GFCCVEGCSA-N 1 0 237.412 3.933 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037260693 324496468 /nfs/dbraw/zinc/49/64/68/324496468.db2.gz SNONFGFSTUHVRD-LBPRGKRZSA-N 1 0 237.412 3.933 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000037260741 191069473 /nfs/dbraw/zinc/06/94/73/191069473.db2.gz GGUICVHCOAWLSE-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000037260743 712560880 /nfs/dbraw/zinc/56/08/80/712560880.db2.gz GGUICVHCOAWLSE-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000037260745 384493452 /nfs/dbraw/zinc/49/34/52/384493452.db2.gz JSFTZDUCFZCBSV-SECBINFHSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000037260747 322827877 /nfs/dbraw/zinc/82/78/77/322827877.db2.gz JSFTZDUCFZCBSV-VIFPVBQESA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000037260753 188287662 /nfs/dbraw/zinc/28/76/62/188287662.db2.gz OKOCXMKYBJAWSR-GFCCVEGCSA-N 1 0 231.339 3.957 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000037260755 355864423 /nfs/dbraw/zinc/86/44/23/355864423.db2.gz OKOCXMKYBJAWSR-LBPRGKRZSA-N 1 0 231.339 3.957 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(C)C)s1 ZINC000037260761 384493483 /nfs/dbraw/zinc/49/34/83/384493483.db2.gz ZIACTBFNAOAWMV-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(C)C)s1 ZINC000037260763 322827813 /nfs/dbraw/zinc/82/78/13/322827813.db2.gz ZIACTBFNAOAWMV-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000037262366 388617815 /nfs/dbraw/zinc/61/78/15/388617815.db2.gz VGAKWFJKVZZAQW-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000037262367 324499582 /nfs/dbraw/zinc/49/95/82/324499582.db2.gz VGAKWFJKVZZAQW-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000037264262 323207089 /nfs/dbraw/zinc/20/70/89/323207089.db2.gz RLVWHZFPJQLYLM-OLZOCXBDSA-N 1 0 235.371 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000037264263 323206943 /nfs/dbraw/zinc/20/69/43/323206943.db2.gz RLVWHZFPJQLYLM-STQMWFEESA-N 1 0 235.371 3.780 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000037264264 323207079 /nfs/dbraw/zinc/20/70/79/323207079.db2.gz RLVWHZFPJQLYLM-CHWSQXEVSA-N 1 0 235.371 3.780 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000037264265 323206965 /nfs/dbraw/zinc/20/69/65/323206965.db2.gz RLVWHZFPJQLYLM-QWHCGFSZSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000037264266 175189761 /nfs/dbraw/zinc/18/97/61/175189761.db2.gz OXBIADUURASPHW-OLZOCXBDSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037264267 175189193 /nfs/dbraw/zinc/18/91/93/175189193.db2.gz OXBIADUURASPHW-STQMWFEESA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000037264268 175177846 /nfs/dbraw/zinc/17/78/46/175177846.db2.gz OXBIADUURASPHW-CHWSQXEVSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037264269 175176894 /nfs/dbraw/zinc/17/68/94/175176894.db2.gz OXBIADUURASPHW-QWHCGFSZSA-N 1 0 235.371 3.780 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000037264280 323207092 /nfs/dbraw/zinc/20/70/92/323207092.db2.gz LLXYCTIEKSGDAN-NEPJUHHUSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000037264281 323206974 /nfs/dbraw/zinc/20/69/74/323206974.db2.gz LLXYCTIEKSGDAN-RYUDHWBXSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000037264282 323206942 /nfs/dbraw/zinc/20/69/42/323206942.db2.gz LLXYCTIEKSGDAN-VXGBXAGGSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000037264283 323207016 /nfs/dbraw/zinc/20/70/16/323207016.db2.gz LLXYCTIEKSGDAN-NWDGAFQWSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000037264367 323206927 /nfs/dbraw/zinc/20/69/27/323206927.db2.gz CBGPBXGRGZACHT-DYEKYZERSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000037264368 323206959 /nfs/dbraw/zinc/20/69/59/323206959.db2.gz CBGPBXGRGZACHT-OBJOEFQTSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000037264369 323207037 /nfs/dbraw/zinc/20/70/37/323207037.db2.gz CBGPBXGRGZACHT-MBNYWOFBSA-N 1 0 235.371 3.927 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)CC(C)C ZINC000037264389 712565119 /nfs/dbraw/zinc/56/51/19/712565119.db2.gz RLXGSORCQJFIDC-NSHDSACASA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)CC(C)C ZINC000037264390 518191516 /nfs/dbraw/zinc/19/15/16/518191516.db2.gz RLXGSORCQJFIDC-LLVKDONJSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)CC(C)C ZINC000037264426 384492520 /nfs/dbraw/zinc/49/25/20/384492520.db2.gz CIFMUUZBXOTHMN-ZDUSSCGKSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)CC(C)C ZINC000037264427 384492948 /nfs/dbraw/zinc/49/29/48/384492948.db2.gz CIFMUUZBXOTHMN-CYBMUJFWSA-N 1 0 205.345 3.519 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037264432 363883644 /nfs/dbraw/zinc/88/36/44/363883644.db2.gz JIYVBCONOSLCKG-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037264433 170546863 /nfs/dbraw/zinc/54/68/63/170546863.db2.gz JIYVBCONOSLCKG-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)CC(C)C ZINC000037264434 363883579 /nfs/dbraw/zinc/88/35/79/363883579.db2.gz WUTJKDPZUSDHCG-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)CC(C)C ZINC000037264435 363883650 /nfs/dbraw/zinc/88/36/50/363883650.db2.gz WUTJKDPZUSDHCG-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000037264840 187392813 /nfs/dbraw/zinc/39/28/13/187392813.db2.gz UVOITLVYCMUDJA-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000037264841 187567241 /nfs/dbraw/zinc/56/72/41/187567241.db2.gz UVOITLVYCMUDJA-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000037264842 363883519 /nfs/dbraw/zinc/88/35/19/363883519.db2.gz GZSWVIAQZSUONM-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000037264843 386574244 /nfs/dbraw/zinc/57/42/44/386574244.db2.gz GZSWVIAQZSUONM-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CC(C)C)s1 ZINC000037264866 384493052 /nfs/dbraw/zinc/49/30/52/384493052.db2.gz MKOVTXZXEWBRFN-NSHDSACASA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CC(C)C)s1 ZINC000037264867 384492193 /nfs/dbraw/zinc/49/21/93/384492193.db2.gz MKOVTXZXEWBRFN-LLVKDONJSA-N 1 0 225.401 3.835 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000037267483 712564857 /nfs/dbraw/zinc/56/48/57/712564857.db2.gz YWSFGGLMPFTSAX-RDBSUJKOSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H]([NH2+]CCOCC)c1ccccc1 ZINC000037269204 169012268 /nfs/dbraw/zinc/01/22/68/169012268.db2.gz XXMOYIHYNUDQLW-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCC[C@@H]([NH2+]CCOCC)c1ccccc1 ZINC000037269206 168973132 /nfs/dbraw/zinc/97/31/32/168973132.db2.gz XXMOYIHYNUDQLW-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCC[C@H]([NH2+]CCOCC)c1ccccc1 ZINC000037269218 712564970 /nfs/dbraw/zinc/56/49/70/712564970.db2.gz NUALBULJQXHXON-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCCC[C@@H]([NH2+]CCOCC)c1ccccc1 ZINC000037269220 712564926 /nfs/dbraw/zinc/56/49/26/712564926.db2.gz NUALBULJQXHXON-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO CCOCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037269368 387563423 /nfs/dbraw/zinc/56/34/23/387563423.db2.gz MNCNARYTFFQKTJ-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037269370 387561997 /nfs/dbraw/zinc/56/19/97/387561997.db2.gz MNCNARYTFFQKTJ-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO CCCC[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000037269569 169011623 /nfs/dbraw/zinc/01/16/23/169011623.db2.gz MZWSJIYAQDNISJ-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000037269571 343342728 /nfs/dbraw/zinc/34/27/28/343342728.db2.gz MZWSJIYAQDNISJ-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000037283102 388641099 /nfs/dbraw/zinc/64/10/99/388641099.db2.gz XWGDHYHCYKXOEY-CYBMUJFWSA-N 1 0 234.387 3.739 20 0 BHADRO CCCC[C@H](C)Nc1cccc(C[NH+](C)C)c1 ZINC000037283103 388641286 /nfs/dbraw/zinc/64/12/86/388641286.db2.gz XWGDHYHCYKXOEY-ZDUSSCGKSA-N 1 0 234.387 3.739 20 0 BHADRO CC[C@H](Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000037283104 324562063 /nfs/dbraw/zinc/56/20/63/324562063.db2.gz YSEWTRVPTUHSMG-HNNXBMFYSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@@H](Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000037283105 324562257 /nfs/dbraw/zinc/56/22/57/324562257.db2.gz YSEWTRVPTUHSMG-OAHLLOKOSA-N 1 0 234.387 3.595 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000037283459 388640952 /nfs/dbraw/zinc/64/09/52/388640952.db2.gz JAIDMEISNAXSNX-NEPJUHHUSA-N 1 0 249.354 3.645 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000037283460 388641041 /nfs/dbraw/zinc/64/10/41/388641041.db2.gz JAIDMEISNAXSNX-RYUDHWBXSA-N 1 0 249.354 3.645 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037283461 388640831 /nfs/dbraw/zinc/64/08/31/388640831.db2.gz JAIDMEISNAXSNX-VXGBXAGGSA-N 1 0 249.354 3.645 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037283462 324562314 /nfs/dbraw/zinc/56/23/14/324562314.db2.gz JAIDMEISNAXSNX-NWDGAFQWSA-N 1 0 249.354 3.645 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000037284881 168949305 /nfs/dbraw/zinc/94/93/05/168949305.db2.gz WFASQIGYIQGUOX-NEPJUHHUSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000037284882 712567186 /nfs/dbraw/zinc/56/71/86/712567186.db2.gz WFASQIGYIQGUOX-RYUDHWBXSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000037284883 712567134 /nfs/dbraw/zinc/56/71/34/712567134.db2.gz WFASQIGYIQGUOX-VXGBXAGGSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000037284884 712567249 /nfs/dbraw/zinc/56/72/49/712567249.db2.gz WFASQIGYIQGUOX-NWDGAFQWSA-N 1 0 225.401 3.847 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1cccs1)C(C)C ZINC000037284885 322827820 /nfs/dbraw/zinc/82/78/20/322827820.db2.gz HIANVIWMLNQTEK-AAEUAGOBSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(C)C ZINC000037284886 384492363 /nfs/dbraw/zinc/49/23/63/384492363.db2.gz HIANVIWMLNQTEK-WCQYABFASA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccs1)C(C)C ZINC000037284887 384493409 /nfs/dbraw/zinc/49/34/09/384493409.db2.gz HIANVIWMLNQTEK-YPMHNXCESA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1cccs1)C(C)C ZINC000037284888 384492395 /nfs/dbraw/zinc/49/23/95/384492395.db2.gz HIANVIWMLNQTEK-DGCLKSJQSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037291981 712563893 /nfs/dbraw/zinc/56/38/93/712563893.db2.gz KUSGKJFFUXMJPV-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037291982 712563796 /nfs/dbraw/zinc/56/37/96/712563796.db2.gz KUSGKJFFUXMJPV-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)C1CCCCC1 ZINC000037291983 712563692 /nfs/dbraw/zinc/56/36/92/712563692.db2.gz KUSGKJFFUXMJPV-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)C1CCCCC1 ZINC000037291984 712563917 /nfs/dbraw/zinc/56/39/17/712563917.db2.gz KUSGKJFFUXMJPV-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000037291997 712563732 /nfs/dbraw/zinc/56/37/32/712563732.db2.gz IOOHNFCOOVVCNQ-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000037291998 712563906 /nfs/dbraw/zinc/56/39/06/712563906.db2.gz IOOHNFCOOVVCNQ-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000037291999 712563778 /nfs/dbraw/zinc/56/37/78/712563778.db2.gz IOOHNFCOOVVCNQ-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000037292000 712563863 /nfs/dbraw/zinc/56/38/63/712563863.db2.gz IOOHNFCOOVVCNQ-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037318448 324566505 /nfs/dbraw/zinc/56/65/05/324566505.db2.gz LNGGJRAHOGZCQL-KGLIPLIRSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037318449 388641956 /nfs/dbraw/zinc/64/19/56/388641956.db2.gz LNGGJRAHOGZCQL-KBPBESRZSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037318450 324566189 /nfs/dbraw/zinc/56/61/89/324566189.db2.gz LNGGJRAHOGZCQL-ZIAGYGMSSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037318451 324566475 /nfs/dbraw/zinc/56/64/75/324566475.db2.gz LNGGJRAHOGZCQL-UONOGXRCSA-N 1 0 249.398 3.882 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C(C)C ZINC000037318452 324566608 /nfs/dbraw/zinc/56/66/08/324566608.db2.gz SPMHIYUCEMTSOC-BBRMVZONSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C(C)C ZINC000037318453 388642067 /nfs/dbraw/zinc/64/20/67/388642067.db2.gz SPMHIYUCEMTSOC-XJKSGUPXSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccc(O)cc1)C(C)C ZINC000037318454 324566088 /nfs/dbraw/zinc/56/60/88/324566088.db2.gz SPMHIYUCEMTSOC-CJNGLKHVSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)C(C)C ZINC000037318455 323223049 /nfs/dbraw/zinc/22/30/49/323223049.db2.gz SPMHIYUCEMTSOC-CZUORRHYSA-N 1 0 249.398 3.738 20 0 BHADRO CCCC[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037318680 388642026 /nfs/dbraw/zinc/64/20/26/388642026.db2.gz JIEGZNPHFMMZNX-CYBMUJFWSA-N 1 0 234.387 3.739 20 0 BHADRO CCCC[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037318681 388643085 /nfs/dbraw/zinc/64/30/85/388643085.db2.gz JIEGZNPHFMMZNX-ZDUSSCGKSA-N 1 0 234.387 3.739 20 0 BHADRO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000037318682 324566576 /nfs/dbraw/zinc/56/65/76/324566576.db2.gz FPDFJXYHXSVIPF-HNNXBMFYSA-N 1 0 234.387 3.595 20 0 BHADRO CC[C@@H](Nc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000037318683 388642620 /nfs/dbraw/zinc/64/26/20/388642620.db2.gz FPDFJXYHXSVIPF-OAHLLOKOSA-N 1 0 234.387 3.595 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037319198 388642803 /nfs/dbraw/zinc/64/28/03/388642803.db2.gz GQMTUZDQDNKCJK-NEPJUHHUSA-N 1 0 221.344 3.622 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037319199 324566566 /nfs/dbraw/zinc/56/65/66/324566566.db2.gz GQMTUZDQDNKCJK-RYUDHWBXSA-N 1 0 221.344 3.622 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000037319200 324566127 /nfs/dbraw/zinc/56/61/27/324566127.db2.gz GQMTUZDQDNKCJK-VXGBXAGGSA-N 1 0 221.344 3.622 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000037319201 324566530 /nfs/dbraw/zinc/56/65/30/324566530.db2.gz GQMTUZDQDNKCJK-NWDGAFQWSA-N 1 0 221.344 3.622 20 0 BHADRO C[N@H+](CCCC(=O)c1ccccc1)C1CCCC1 ZINC000037323017 358473053 /nfs/dbraw/zinc/47/30/53/358473053.db2.gz XRMYJQWLQCMZCG-UHFFFAOYSA-N 1 0 245.366 3.524 20 0 BHADRO CCC[N@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000037323096 169154123 /nfs/dbraw/zinc/15/41/23/169154123.db2.gz VHPODLPBMGFUGZ-UHFFFAOYSA-N 1 0 245.366 3.524 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCC(=O)c1ccccc1 ZINC000037328744 167368138 /nfs/dbraw/zinc/36/81/38/167368138.db2.gz GWCWRQRKIBDVCX-CQSZACIVSA-N 1 0 247.382 3.626 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCC(=O)c1ccccc1 ZINC000037328746 387563118 /nfs/dbraw/zinc/56/31/18/387563118.db2.gz GWCWRQRKIBDVCX-AWEZNQCLSA-N 1 0 247.382 3.626 20 0 BHADRO c1ccc(C2CC([NH2+]C3CCCCC3)C2)cc1 ZINC000037409718 183389165 /nfs/dbraw/zinc/38/91/65/183389165.db2.gz AIPPTFWJAFEDIE-UHFFFAOYSA-N 1 0 229.367 3.855 20 0 BHADRO CCC(CC)[NH2+]C1CC(c2ccccc2)C1 ZINC000037409719 168387713 /nfs/dbraw/zinc/38/77/13/168387713.db2.gz IPWJSLBFVIQPEU-UHFFFAOYSA-N 1 0 217.356 3.711 20 0 BHADRO Fc1ccc(C2CC([NH2+]C3CCCCC3)C2)cc1 ZINC000037409742 712606718 /nfs/dbraw/zinc/60/67/18/712606718.db2.gz XULHJVGHRWYAEV-UHFFFAOYSA-N 1 0 247.357 3.994 20 0 BHADRO CCC(CC)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000037409754 168387257 /nfs/dbraw/zinc/38/72/57/168387257.db2.gz OBJLRYOYVHXVKW-UHFFFAOYSA-N 1 0 235.346 3.850 20 0 BHADRO CCC(CC)[NH2+]C1CC(c2ccccc2OC)C1 ZINC000037409755 168386977 /nfs/dbraw/zinc/38/69/77/168386977.db2.gz OCHPPMUNFINOAA-UHFFFAOYSA-N 1 0 247.382 3.719 20 0 BHADRO CCC(CC)[NH2+]C1CC(c2ccccc2F)C1 ZINC000037409759 388644015 /nfs/dbraw/zinc/64/40/15/388644015.db2.gz SRZDPTPAFMDFEV-UHFFFAOYSA-N 1 0 235.346 3.850 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)cs1 ZINC000037413247 180050535 /nfs/dbraw/zinc/05/05/35/180050535.db2.gz WNMYZNYCIMJQGB-JBLDHEPKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)cs1 ZINC000037413251 180050412 /nfs/dbraw/zinc/05/04/12/180050412.db2.gz WNMYZNYCIMJQGB-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO c1csc([C@H]([NH2+]CC2CC2)C2CCCC2)c1 ZINC000037414243 388643957 /nfs/dbraw/zinc/64/39/57/388643957.db2.gz RFMRVABEANRTSK-CQSZACIVSA-N 1 0 235.396 3.979 20 0 BHADRO c1csc([C@@H]([NH2+]CC2CC2)C2CCCC2)c1 ZINC000037414245 324568376 /nfs/dbraw/zinc/56/83/76/324568376.db2.gz RFMRVABEANRTSK-AWEZNQCLSA-N 1 0 235.396 3.979 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CCCCC2)c1 ZINC000037414392 387491992 /nfs/dbraw/zinc/49/19/92/387491992.db2.gz KVWLSBLARSDEKH-CYBMUJFWSA-N 1 0 217.356 3.978 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CCCCC2)c1 ZINC000037414394 387491284 /nfs/dbraw/zinc/49/12/84/387491284.db2.gz KVWLSBLARSDEKH-ZDUSSCGKSA-N 1 0 217.356 3.978 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccco1 ZINC000037414825 388643736 /nfs/dbraw/zinc/64/37/36/388643736.db2.gz UWYQDXJMIIIWEK-RYUDHWBXSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccco1 ZINC000037414827 324569002 /nfs/dbraw/zinc/56/90/02/324569002.db2.gz UWYQDXJMIIIWEK-NWDGAFQWSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccco1)C1CCCCC1 ZINC000037414829 388643615 /nfs/dbraw/zinc/64/36/15/388643615.db2.gz UWYQDXJMIIIWEK-NEPJUHHUSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccco1 ZINC000037414831 388643408 /nfs/dbraw/zinc/64/34/08/388643408.db2.gz UWYQDXJMIIIWEK-VXGBXAGGSA-N 1 0 221.344 3.899 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+]CC2CCC2)c1 ZINC000037423848 322828434 /nfs/dbraw/zinc/82/84/34/322828434.db2.gz ZGJUBWGWYOEAKE-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000037423889 322828293 /nfs/dbraw/zinc/82/82/93/322828293.db2.gz YZAGQWUFUWKQCD-QMMMGPOBSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000037423891 322828301 /nfs/dbraw/zinc/82/83/01/322828301.db2.gz YZAGQWUFUWKQCD-MRVPVSSYSA-N 1 0 244.165 3.882 20 0 BHADRO CC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000037466163 323270112 /nfs/dbraw/zinc/27/01/12/323270112.db2.gz HJJSZLDKKRDVQV-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000037466165 323269839 /nfs/dbraw/zinc/26/98/39/323269839.db2.gz HJJSZLDKKRDVQV-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO C1=C(CC[NH2+]C(C2CC2)C2CC2)CCCC1 ZINC000037466651 323270192 /nfs/dbraw/zinc/27/01/92/323270192.db2.gz XFRDGGUTPGCODK-UHFFFAOYSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000037467511 712642725 /nfs/dbraw/zinc/64/27/25/712642725.db2.gz JIEKYCHTKQYYIX-RYUDHWBXSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000037467513 712642580 /nfs/dbraw/zinc/64/25/80/712642580.db2.gz JIEKYCHTKQYYIX-NEPJUHHUSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1(C)CC1 ZINC000037467515 712642632 /nfs/dbraw/zinc/64/26/32/712642632.db2.gz JIEKYCHTKQYYIX-NWDGAFQWSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000037467517 712642576 /nfs/dbraw/zinc/64/25/76/712642576.db2.gz JIEKYCHTKQYYIX-VXGBXAGGSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1Cl)C1(C)CC1 ZINC000037467733 384500958 /nfs/dbraw/zinc/50/09/58/384500958.db2.gz KXUFPHCHCJIVND-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1Cl)C1(C)CC1 ZINC000037467735 342932790 /nfs/dbraw/zinc/93/27/90/342932790.db2.gz KXUFPHCHCJIVND-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1(C)CC1 ZINC000037467972 712642637 /nfs/dbraw/zinc/64/26/37/712642637.db2.gz UPDOIRMEUFZAEG-NDBYEHHHSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)C1(C)CC1 ZINC000037468025 322828439 /nfs/dbraw/zinc/82/84/39/322828439.db2.gz WBIJNUBATZWVLL-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)C1(C)CC1 ZINC000037468028 322828364 /nfs/dbraw/zinc/82/83/64/322828364.db2.gz WBIJNUBATZWVLL-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000037468174 712642699 /nfs/dbraw/zinc/64/26/99/712642699.db2.gz KGFSTENBADFSRU-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000037468176 712642636 /nfs/dbraw/zinc/64/26/36/712642636.db2.gz KGFSTENBADFSRU-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000037468178 712642729 /nfs/dbraw/zinc/64/27/29/712642729.db2.gz KGFSTENBADFSRU-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000037468180 712642634 /nfs/dbraw/zinc/64/26/34/712642634.db2.gz KGFSTENBADFSRU-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000037468225 170143799 /nfs/dbraw/zinc/14/37/99/170143799.db2.gz FEXAYPRJBCYLNG-AWEZNQCLSA-N 1 0 205.345 3.692 20 0 BHADRO CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000037468227 170161234 /nfs/dbraw/zinc/16/12/34/170161234.db2.gz FEXAYPRJBCYLNG-CQSZACIVSA-N 1 0 205.345 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000037468278 388644757 /nfs/dbraw/zinc/64/47/57/388644757.db2.gz WIDKYOKXMGZAJA-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000037468280 324570108 /nfs/dbraw/zinc/57/01/08/324570108.db2.gz WIDKYOKXMGZAJA-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000037468282 324569983 /nfs/dbraw/zinc/56/99/83/324569983.db2.gz WIDKYOKXMGZAJA-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1(C)CC1 ZINC000037468284 323269738 /nfs/dbraw/zinc/26/97/38/323269738.db2.gz WIDKYOKXMGZAJA-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000037468294 712642566 /nfs/dbraw/zinc/64/25/66/712642566.db2.gz XIKKXNVGIBHUJT-KBPBESRZSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000037468296 712642653 /nfs/dbraw/zinc/64/26/53/712642653.db2.gz XIKKXNVGIBHUJT-KGLIPLIRSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1(C)CC1 ZINC000037468298 712642553 /nfs/dbraw/zinc/64/25/53/712642553.db2.gz XIKKXNVGIBHUJT-UONOGXRCSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C1(C)CC1 ZINC000037468300 712642672 /nfs/dbraw/zinc/64/26/72/712642672.db2.gz XIKKXNVGIBHUJT-ZIAGYGMSSA-N 1 0 231.383 3.786 20 0 BHADRO CCC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000037468356 323270280 /nfs/dbraw/zinc/27/02/80/323270280.db2.gz OEWSRXYFXKCPKV-HNNXBMFYSA-N 1 0 219.372 3.562 20 0 BHADRO CCC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000037468358 323270017 /nfs/dbraw/zinc/27/00/17/323270017.db2.gz OEWSRXYFXKCPKV-OAHLLOKOSA-N 1 0 219.372 3.562 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000037468378 384500210 /nfs/dbraw/zinc/50/02/10/384500210.db2.gz NRPQUAGBODAMQK-CQSZACIVSA-N 1 0 205.345 3.692 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000037468379 322828335 /nfs/dbraw/zinc/82/83/35/322828335.db2.gz NRPQUAGBODAMQK-AWEZNQCLSA-N 1 0 205.345 3.692 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(F)c1 ZINC000037468401 712642716 /nfs/dbraw/zinc/64/27/16/712642716.db2.gz XGCJJCWGDVZHMK-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(F)c1 ZINC000037468403 712642585 /nfs/dbraw/zinc/64/25/85/712642585.db2.gz XGCJJCWGDVZHMK-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C1(C)CC1 ZINC000037468405 712642575 /nfs/dbraw/zinc/64/25/75/712642575.db2.gz XGCJJCWGDVZHMK-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccc(F)c1 ZINC000037468407 712642560 /nfs/dbraw/zinc/64/25/60/712642560.db2.gz XGCJJCWGDVZHMK-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccs1 ZINC000037468408 712642789 /nfs/dbraw/zinc/64/27/89/712642789.db2.gz CGPJQCWNGSJHFH-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccs1 ZINC000037468411 712642626 /nfs/dbraw/zinc/64/26/26/712642626.db2.gz CGPJQCWNGSJHFH-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)C1(C)CC1 ZINC000037468413 712642583 /nfs/dbraw/zinc/64/25/83/712642583.db2.gz CGPJQCWNGSJHFH-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccs1 ZINC000037468415 712642683 /nfs/dbraw/zinc/64/26/83/712642683.db2.gz CGPJQCWNGSJHFH-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO CC[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC000037468468 322828332 /nfs/dbraw/zinc/82/83/32/322828332.db2.gz GZKGXZKLAIXQNH-NSHDSACASA-N 1 0 246.181 3.924 20 0 BHADRO C[C@H]([NH2+]CCCOC1CCCCC1)C1(C)CC1 ZINC000037468469 387564752 /nfs/dbraw/zinc/56/47/52/387564752.db2.gz HTNPEDBPGBWYKW-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC000037468470 384501657 /nfs/dbraw/zinc/50/16/57/384501657.db2.gz GZKGXZKLAIXQNH-LLVKDONJSA-N 1 0 246.181 3.924 20 0 BHADRO C[C@@H]([NH2+]CCCOC1CCCCC1)C1(C)CC1 ZINC000037468471 387564933 /nfs/dbraw/zinc/56/49/33/387564933.db2.gz HTNPEDBPGBWYKW-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000037468518 323269963 /nfs/dbraw/zinc/26/99/63/323269963.db2.gz HNVJPULYPOUGKX-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CC[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000037468520 323269831 /nfs/dbraw/zinc/26/98/31/323269831.db2.gz HNVJPULYPOUGKX-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C1(C)CC1 ZINC000037468547 384501195 /nfs/dbraw/zinc/50/11/95/384501195.db2.gz ZGWAKSWURLYHNS-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1(C)CC1 ZINC000037468549 384501707 /nfs/dbraw/zinc/50/17/07/384501707.db2.gz ZGWAKSWURLYHNS-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO CC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000037469062 384501419 /nfs/dbraw/zinc/50/14/19/384501419.db2.gz JQWRUJFHSBZUOF-ZDUSSCGKSA-N 1 0 205.345 3.692 20 0 BHADRO CC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000037469063 384501501 /nfs/dbraw/zinc/50/15/01/384501501.db2.gz JQWRUJFHSBZUOF-CYBMUJFWSA-N 1 0 205.345 3.692 20 0 BHADRO CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000037469066 322828376 /nfs/dbraw/zinc/82/83/76/322828376.db2.gz NCOPLRXQRVCTFL-LBPRGKRZSA-N 1 0 209.308 3.522 20 0 BHADRO CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000037469067 322828257 /nfs/dbraw/zinc/82/82/57/322828257.db2.gz NCOPLRXQRVCTFL-GFCCVEGCSA-N 1 0 209.308 3.522 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000037469070 322828367 /nfs/dbraw/zinc/82/83/67/322828367.db2.gz RWSRUHDXTPRGRF-ZDUSSCGKSA-N 1 0 205.345 3.692 20 0 BHADRO CC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000037469071 384501469 /nfs/dbraw/zinc/50/14/69/384501469.db2.gz RWSRUHDXTPRGRF-CYBMUJFWSA-N 1 0 205.345 3.692 20 0 BHADRO CCC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000037469086 538962754 /nfs/dbraw/zinc/96/27/54/538962754.db2.gz FBHGSTXMOCXKSF-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CCC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000037469087 323271033 /nfs/dbraw/zinc/27/10/33/323271033.db2.gz FBHGSTXMOCXKSF-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2C)c(C)c1 ZINC000037486689 324569490 /nfs/dbraw/zinc/56/94/90/324569490.db2.gz DYGIRBTVKLPEIK-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2C)cc1C ZINC000037486693 363889556 /nfs/dbraw/zinc/88/95/56/363889556.db2.gz NRVCQRZLNKCSPX-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000037486704 179282750 /nfs/dbraw/zinc/28/27/50/179282750.db2.gz AARAVCPDPDLPIR-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000037486713 179283528 /nfs/dbraw/zinc/28/35/28/179283528.db2.gz DDBPRJOOQCNERX-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1F ZINC000037486734 388644779 /nfs/dbraw/zinc/64/47/79/388644779.db2.gz HJGOYVZPEMJFRR-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1ccccc1F ZINC000037486735 388644469 /nfs/dbraw/zinc/64/44/69/388644469.db2.gz HJGOYVZPEMJFRR-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000037486748 179282707 /nfs/dbraw/zinc/28/27/07/179282707.db2.gz GIBVPQLHUUAFQO-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037486749 346700410 /nfs/dbraw/zinc/70/04/10/346700410.db2.gz JFMVNVDFHFMASA-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000037486754 179093536 /nfs/dbraw/zinc/09/35/36/179093536.db2.gz IWIOWZWJNMZGTN-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000037486948 323284261 /nfs/dbraw/zinc/28/42/61/323284261.db2.gz WHGJPPCVQGSEMZ-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000037486949 323284294 /nfs/dbraw/zinc/28/42/94/323284294.db2.gz WHGJPPCVQGSEMZ-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO Clc1ccc(C[NH2+]CC2CCCCC2)o1 ZINC000037486976 384507615 /nfs/dbraw/zinc/50/76/15/384507615.db2.gz BDIBUGGSKPKSNX-UHFFFAOYSA-N 1 0 227.735 3.603 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(Cl)o1 ZINC000037486979 712651166 /nfs/dbraw/zinc/65/11/66/712651166.db2.gz VURZWZXKQUNKAV-UHFFFAOYSA-N 1 0 215.724 3.603 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000037487019 711467249 /nfs/dbraw/zinc/46/72/49/711467249.db2.gz UMCIJVWZFLNMID-SNVBAGLBSA-N 1 0 229.751 3.991 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000037487020 712651127 /nfs/dbraw/zinc/65/11/27/712651127.db2.gz UMCIJVWZFLNMID-JTQLQIEISA-N 1 0 229.751 3.991 20 0 BHADRO Clc1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000037487022 384506153 /nfs/dbraw/zinc/50/61/53/384506153.db2.gz QMOCSUHCGHOUJF-UHFFFAOYSA-N 1 0 227.735 3.745 20 0 BHADRO Clc1ccc(C[NH2+]CCCc2ccccc2)o1 ZINC000037487024 388644777 /nfs/dbraw/zinc/64/47/77/388644777.db2.gz ZPXTZHNTYNBHSE-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000037487025 322828561 /nfs/dbraw/zinc/82/85/61/322828561.db2.gz CPGVJAGIZXCBDS-SNVBAGLBSA-N 1 0 229.751 3.847 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000037487026 384506688 /nfs/dbraw/zinc/50/66/88/384506688.db2.gz CPGVJAGIZXCBDS-JTQLQIEISA-N 1 0 229.751 3.847 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H]1C ZINC000037487044 324569895 /nfs/dbraw/zinc/56/98/95/324569895.db2.gz RFLFOIYXTFIUOS-FOGDFJRCSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H]1C ZINC000037487046 388644590 /nfs/dbraw/zinc/64/45/90/388644590.db2.gz RFLFOIYXTFIUOS-CKYFFXLPSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037487049 384507419 /nfs/dbraw/zinc/50/74/19/384507419.db2.gz DMPSKHOXKRXSMS-KOLCDFICSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037487050 384507341 /nfs/dbraw/zinc/50/73/41/384507341.db2.gz DMPSKHOXKRXSMS-ONGXEEELSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037487051 384507353 /nfs/dbraw/zinc/50/73/53/384507353.db2.gz DMPSKHOXKRXSMS-MWLCHTKSSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037487052 384505291 /nfs/dbraw/zinc/50/52/91/384505291.db2.gz DMPSKHOXKRXSMS-GXSJLCMTSA-N 1 0 227.735 3.601 20 0 BHADRO CC1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037487063 168164992 /nfs/dbraw/zinc/16/49/92/168164992.db2.gz ZDKNAKNAQJTQLD-UHFFFAOYSA-N 1 0 227.735 3.601 20 0 BHADRO CCC1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC000037487079 388644722 /nfs/dbraw/zinc/64/47/22/388644722.db2.gz FQPHJZYBTSTVGY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000037487098 388644720 /nfs/dbraw/zinc/64/47/20/388644720.db2.gz VCUYERAKBRWABZ-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000037487099 388644596 /nfs/dbraw/zinc/64/45/96/388644596.db2.gz VCUYERAKBRWABZ-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000037487117 324569902 /nfs/dbraw/zinc/56/99/02/324569902.db2.gz ULPIUBYJEXPUAO-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000037487118 324569862 /nfs/dbraw/zinc/56/98/62/324569862.db2.gz ULPIUBYJEXPUAO-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cccs1 ZINC000037487134 384506806 /nfs/dbraw/zinc/50/68/06/384506806.db2.gz FQCSUEPVERJODM-QMMMGPOBSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cccs1 ZINC000037487135 384508016 /nfs/dbraw/zinc/50/80/16/384508016.db2.gz FQCSUEPVERJODM-MRVPVSSYSA-N 1 0 241.743 3.845 20 0 BHADRO Clc1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000037487161 323283972 /nfs/dbraw/zinc/28/39/72/323283972.db2.gz KZCNMWNRNJDDGB-UHFFFAOYSA-N 1 0 239.746 3.913 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccccc1C ZINC000037487170 179282127 /nfs/dbraw/zinc/28/21/27/179282127.db2.gz WGBBHPQNTDEZPI-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2C)s1 ZINC000037487175 343347086 /nfs/dbraw/zinc/34/70/86/343347086.db2.gz KXANIVIFZJXVSJ-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037487271 176144032 /nfs/dbraw/zinc/14/40/32/176144032.db2.gz BZABSOYLEWOALE-ZJUUUORDSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037487272 177137088 /nfs/dbraw/zinc/13/70/88/177137088.db2.gz BZABSOYLEWOALE-UWVGGRQHSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037487273 176123728 /nfs/dbraw/zinc/12/37/28/176123728.db2.gz BZABSOYLEWOALE-NXEZZACHSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037487274 177122777 /nfs/dbraw/zinc/12/27/77/177122777.db2.gz BZABSOYLEWOALE-VHSXEESVSA-N 1 0 227.735 3.601 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccccc1Cl ZINC000037488743 342938713 /nfs/dbraw/zinc/93/87/13/342938713.db2.gz QXRGVGDIOOGAOR-UHFFFAOYSA-N 1 0 225.763 3.866 20 0 BHADRO CC(C)(C)CC[NH2+]CCCc1ccccc1 ZINC000037488763 363890122 /nfs/dbraw/zinc/89/01/22/363890122.db2.gz KNEFITWAHJSDFC-UHFFFAOYSA-N 1 0 219.372 3.645 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000037488833 178604198 /nfs/dbraw/zinc/60/41/98/178604198.db2.gz NSOAXOGJQZPHLA-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cccs1 ZINC000037488943 712651032 /nfs/dbraw/zinc/65/10/32/712651032.db2.gz HMNQTSHHQGHZJW-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO Cc1ccccc1C[NH2+]CCC(C)(C)C ZINC000037488973 179281081 /nfs/dbraw/zinc/28/10/81/179281081.db2.gz XQRBHBZOTXAQDB-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000037489098 358474542 /nfs/dbraw/zinc/47/45/42/358474542.db2.gz OYISESKORBEBAL-ZDUSSCGKSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000037489099 358474199 /nfs/dbraw/zinc/47/41/99/358474199.db2.gz OYISESKORBEBAL-CYBMUJFWSA-N 1 0 247.725 3.710 20 0 BHADRO Fc1ccc(C[NH2+]CCC2CCCC2)c(F)c1 ZINC000037492925 358073090 /nfs/dbraw/zinc/07/30/90/358073090.db2.gz ZWKBETWYJFVHNW-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCOc1ccccc1C[NH2+]CCC1CCCC1 ZINC000037492931 388644782 /nfs/dbraw/zinc/64/47/82/388644782.db2.gz FATBTCDOFRAJDP-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CCOc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037492932 388644677 /nfs/dbraw/zinc/64/46/77/388644677.db2.gz NVQNKFSHTHGWGN-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Cc1ccccc1C[NH2+]CCC1CCCC1 ZINC000037492938 323284912 /nfs/dbraw/zinc/28/49/12/323284912.db2.gz GHROCXGUTVKDPH-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037492939 323285043 /nfs/dbraw/zinc/28/50/43/323285043.db2.gz PDISWZSNPJNXRL-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1cccc(C[NH2+]CCC2CCCC2)c1 ZINC000037492944 323284724 /nfs/dbraw/zinc/28/47/24/323284724.db2.gz NLLWTCXZRZFRMA-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Fc1ccc(C[NH2+]CCC2CCCC2)cc1F ZINC000037492945 323285097 /nfs/dbraw/zinc/28/50/97/323285097.db2.gz GKHTYWGDFRJIMK-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO Cc1cc(C[NH2+]CCC2CCCC2)cc(C)c1O ZINC000037492958 323284750 /nfs/dbraw/zinc/28/47/50/323284750.db2.gz IFWHMFAURWAJBP-UHFFFAOYSA-N 1 0 247.382 3.679 20 0 BHADRO C1=CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC000037492978 322828501 /nfs/dbraw/zinc/82/85/01/322828501.db2.gz DYXYFMWVDBBTNU-AWEZNQCLSA-N 1 0 207.361 3.513 20 0 BHADRO C1=CC[C@@H](C[NH2+]CCC2CCCC2)CC1 ZINC000037492979 384505840 /nfs/dbraw/zinc/50/58/40/384505840.db2.gz DYXYFMWVDBBTNU-CQSZACIVSA-N 1 0 207.361 3.513 20 0 BHADRO Cc1ccsc1C[NH2+]CCC1CCCC1 ZINC000037492983 322828559 /nfs/dbraw/zinc/82/85/59/322828559.db2.gz NMNHFRHHVVRBSL-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CCCC2)s1 ZINC000037492988 384505180 /nfs/dbraw/zinc/50/51/80/384505180.db2.gz JKUQTGJJQDLMFA-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CCCC2)o1 ZINC000037492993 384507687 /nfs/dbraw/zinc/50/76/87/384507687.db2.gz RWBNNRMTQQSWQX-UHFFFAOYSA-N 1 0 227.735 3.603 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCC1CCCC1 ZINC000037493003 323285052 /nfs/dbraw/zinc/28/50/52/323285052.db2.gz UGPJULCICPACJA-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO C(CC1CCCC1)[NH2+]C1CCCCCC1 ZINC000037493004 358072553 /nfs/dbraw/zinc/07/25/53/358072553.db2.gz MVVCUUVPXZXAGY-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000037493015 384506170 /nfs/dbraw/zinc/50/61/70/384506170.db2.gz NDTJGDNBWPCJHO-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000037493016 384505671 /nfs/dbraw/zinc/50/56/71/384505671.db2.gz NDTJGDNBWPCJHO-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000037493017 384506044 /nfs/dbraw/zinc/50/60/44/384506044.db2.gz NDTJGDNBWPCJHO-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000037493018 322828574 /nfs/dbraw/zinc/82/85/74/322828574.db2.gz NDTJGDNBWPCJHO-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000037493940 168668038 /nfs/dbraw/zinc/66/80/38/168668038.db2.gz ZTCXAXWUQCAZOH-UHFFFAOYSA-N 1 0 239.334 3.504 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1F ZINC000037494492 323284732 /nfs/dbraw/zinc/28/47/32/323284732.db2.gz LCORQBSLTSACAJ-STQMWFEESA-N 1 0 233.330 3.833 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1F ZINC000037494493 323284944 /nfs/dbraw/zinc/28/49/44/323284944.db2.gz LCORQBSLTSACAJ-OLZOCXBDSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1F ZINC000037494494 323285132 /nfs/dbraw/zinc/28/51/32/323285132.db2.gz LCORQBSLTSACAJ-QWHCGFSZSA-N 1 0 233.330 3.833 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1F ZINC000037494495 323284756 /nfs/dbraw/zinc/28/47/56/323284756.db2.gz LCORQBSLTSACAJ-CHWSQXEVSA-N 1 0 233.330 3.833 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccccc1F ZINC000037494502 323285173 /nfs/dbraw/zinc/28/51/73/323285173.db2.gz KTRWMJQWTGKDDF-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccccc1F ZINC000037494503 323284868 /nfs/dbraw/zinc/28/48/68/323284868.db2.gz KTRWMJQWTGKDDF-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)c1ccccc1F ZINC000037494504 387564104 /nfs/dbraw/zinc/56/41/04/387564104.db2.gz XWOUKMDJTSWGOR-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1F ZINC000037494505 346700814 /nfs/dbraw/zinc/70/08/14/346700814.db2.gz XWOUKMDJTSWGOR-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO CC[NH+](CC)Cc1cc2ccccc2nc1Cl ZINC000037495068 712655351 /nfs/dbraw/zinc/65/53/51/712655351.db2.gz JKGYDGHVSXWYRT-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO COCc1ccccc1C[NH2+]CC1CCCCC1 ZINC000037500114 323289210 /nfs/dbraw/zinc/28/92/10/323289210.db2.gz GBDGOZCFLINKHV-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037500151 712656064 /nfs/dbraw/zinc/65/60/64/712656064.db2.gz SQNNOILALFHXHJ-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037500152 712656038 /nfs/dbraw/zinc/65/60/38/712656038.db2.gz SQNNOILALFHXHJ-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037500153 712656040 /nfs/dbraw/zinc/65/60/40/712656040.db2.gz SQNNOILALFHXHJ-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037500154 712656078 /nfs/dbraw/zinc/65/60/78/712656078.db2.gz SQNNOILALFHXHJ-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000037500155 712656076 /nfs/dbraw/zinc/65/60/76/712656076.db2.gz FFTIEYKLMAJUJT-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000037500156 712656112 /nfs/dbraw/zinc/65/61/12/712656112.db2.gz FFTIEYKLMAJUJT-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000037500157 174633962 /nfs/dbraw/zinc/63/39/62/174633962.db2.gz FFTIEYKLMAJUJT-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037500158 712655942 /nfs/dbraw/zinc/65/59/42/712655942.db2.gz FFTIEYKLMAJUJT-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+]C1CCCCCC1 ZINC000037500168 712656011 /nfs/dbraw/zinc/65/60/11/712656011.db2.gz GDGCJGKBRABZBB-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCOCc1ccccc1C[NH2+]CC(CC)CC ZINC000037500964 324569383 /nfs/dbraw/zinc/56/93/83/324569383.db2.gz JTEGSEKZARSZII-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CCOCc1ccccc1C[NH2+]C1CCCCC1 ZINC000037501004 170458807 /nfs/dbraw/zinc/45/88/07/170458807.db2.gz ANYFGDNOJHWDPC-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO Fc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000037501017 324569363 /nfs/dbraw/zinc/56/93/63/324569363.db2.gz ISCFOQPRRJCWRL-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO Fc1ccccc1C[NH2+]CCC1CCCCC1 ZINC000037501018 324569571 /nfs/dbraw/zinc/56/95/71/324569571.db2.gz UVGADOYAICVFAT-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO COc1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000037501023 324569613 /nfs/dbraw/zinc/56/96/13/324569613.db2.gz JLHBVFQVNPWEGB-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Fc1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000037501027 388644508 /nfs/dbraw/zinc/64/45/08/388644508.db2.gz KISCEXHLVIKETO-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CCCCC2)o1 ZINC000037501044 388644376 /nfs/dbraw/zinc/64/43/76/388644376.db2.gz QPVGAQPMISDFAE-UHFFFAOYSA-N 1 0 241.762 3.993 20 0 BHADRO c1cc(C[NH2+]CCC2CCCCC2)cs1 ZINC000037501047 322828661 /nfs/dbraw/zinc/82/86/61/322828661.db2.gz PYPYPJDLEBVZOX-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CCCCC2)o1 ZINC000037501051 323288244 /nfs/dbraw/zinc/28/82/44/323288244.db2.gz VOZFGZDPFPHWKR-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO C1=CC[C@H](C[NH2+]CCC2CCCCC2)CC1 ZINC000037501052 323288041 /nfs/dbraw/zinc/28/80/41/323288041.db2.gz KBUDXSNAEKLGPK-HNNXBMFYSA-N 1 0 221.388 3.903 20 0 BHADRO C1=CC[C@@H](C[NH2+]CCC2CCCCC2)CC1 ZINC000037501053 323288085 /nfs/dbraw/zinc/28/80/85/323288085.db2.gz KBUDXSNAEKLGPK-OAHLLOKOSA-N 1 0 221.388 3.903 20 0 BHADRO Cc1nc(C[NH2+]CCC2CCCCC2)cs1 ZINC000037501064 358473960 /nfs/dbraw/zinc/47/39/60/358473960.db2.gz NXDKYGKPLWWKSM-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000037502491 322828628 /nfs/dbraw/zinc/82/86/28/322828628.db2.gz GGCGAKCKROAYQQ-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037502508 388644729 /nfs/dbraw/zinc/64/47/29/388644729.db2.gz GCGKSDBAXODEFE-PWSUYJOCSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037502509 324570156 /nfs/dbraw/zinc/57/01/56/324570156.db2.gz GCGKSDBAXODEFE-JQWIXIFHSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037502510 388644648 /nfs/dbraw/zinc/64/46/48/388644648.db2.gz GCGKSDBAXODEFE-ZYHUDNBSSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000037502511 388644795 /nfs/dbraw/zinc/64/47/95/388644795.db2.gz GCGKSDBAXODEFE-CMPLNLGQSA-N 1 0 241.762 3.991 20 0 BHADRO CCCC1CCC([NH2+]CCc2cccnc2)CC1 ZINC000037502728 356452360 /nfs/dbraw/zinc/45/23/60/356452360.db2.gz PJVAGCHMIANPJN-UHFFFAOYSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)CCCC(C)C)s1 ZINC000037505248 180154976 /nfs/dbraw/zinc/15/49/76/180154976.db2.gz MQTICTHSFWUKNB-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)CCCC(C)C)s1 ZINC000037505249 180157141 /nfs/dbraw/zinc/15/71/41/180157141.db2.gz MQTICTHSFWUKNB-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncc(C[NH2+]C2CCCCCCC2)s1 ZINC000037505271 180150248 /nfs/dbraw/zinc/15/02/48/180150248.db2.gz XFCFFTULEHZXSC-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)c2ccccc2C)s1 ZINC000037505325 180157717 /nfs/dbraw/zinc/15/77/17/180157717.db2.gz GWFGQUGXQIVGHU-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2C)s1 ZINC000037505326 180154932 /nfs/dbraw/zinc/15/49/32/180154932.db2.gz GWFGQUGXQIVGHU-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc(C[NH2+]CCC2CCCCC2)s1 ZINC000037505529 188324716 /nfs/dbraw/zinc/32/47/16/188324716.db2.gz HLCGQUJDTKLZKT-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000037505551 170967246 /nfs/dbraw/zinc/96/72/46/170967246.db2.gz KDSBSVAJBDFZRF-YPMHNXCESA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000037505552 358474595 /nfs/dbraw/zinc/47/45/95/358474595.db2.gz KDSBSVAJBDFZRF-AAEUAGOBSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000037505553 358473732 /nfs/dbraw/zinc/47/37/32/358473732.db2.gz KDSBSVAJBDFZRF-DGCLKSJQSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000037505554 358474230 /nfs/dbraw/zinc/47/42/30/358474230.db2.gz KDSBSVAJBDFZRF-WCQYABFASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)s1 ZINC000037505556 180149822 /nfs/dbraw/zinc/14/98/22/180149822.db2.gz NNNCHIYRSWUVDF-UHFFFAOYSA-N 1 0 240.416 3.756 20 0 BHADRO CCOc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000037505651 363889924 /nfs/dbraw/zinc/88/99/24/363889924.db2.gz MUTSYAJMQQNMRV-AWEZNQCLSA-N 1 0 245.366 3.531 20 0 BHADRO CCOc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000037505652 363889520 /nfs/dbraw/zinc/88/95/20/363889520.db2.gz MUTSYAJMQQNMRV-CQSZACIVSA-N 1 0 245.366 3.531 20 0 BHADRO CCOc1cccc(C[NH2+]CC(CC)CC)c1 ZINC000037505660 363889994 /nfs/dbraw/zinc/88/99/94/363889994.db2.gz JRAPJWARZSULMY-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCOc1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000037505661 170577572 /nfs/dbraw/zinc/57/75/72/170577572.db2.gz AAPJMYBFRRICLS-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000037505709 363889777 /nfs/dbraw/zinc/88/97/77/363889777.db2.gz HMRFDHZJMPAHRR-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000037505710 363889469 /nfs/dbraw/zinc/88/94/69/363889469.db2.gz HMRFDHZJMPAHRR-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000037505711 363890031 /nfs/dbraw/zinc/89/00/31/363890031.db2.gz HMRFDHZJMPAHRR-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000037505712 363889657 /nfs/dbraw/zinc/88/96/57/363889657.db2.gz HMRFDHZJMPAHRR-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000037505713 324569607 /nfs/dbraw/zinc/56/96/07/324569607.db2.gz IDBCYGTVJRPMGJ-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000037505714 388644708 /nfs/dbraw/zinc/64/47/08/388644708.db2.gz IDBCYGTVJRPMGJ-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000037505715 388644794 /nfs/dbraw/zinc/64/47/94/388644794.db2.gz IDBCYGTVJRPMGJ-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000037505716 388644723 /nfs/dbraw/zinc/64/47/23/388644723.db2.gz IDBCYGTVJRPMGJ-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccco1 ZINC000037506656 383980607 /nfs/dbraw/zinc/98/06/07/383980607.db2.gz MVOZYJWFILKWDS-GRTSSRMGSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccco1 ZINC000037506657 383982042 /nfs/dbraw/zinc/98/20/42/383982042.db2.gz MVOZYJWFILKWDS-LRVUVFPRSA-N 1 0 241.334 3.876 20 0 BHADRO Fc1ccccc1C1CC([NH2+]C2CCCCC2)C1 ZINC000037506676 324570670 /nfs/dbraw/zinc/57/06/70/324570670.db2.gz FRHQSDDEQDWDQQ-UHFFFAOYSA-N 1 0 247.357 3.994 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000037506855 324570702 /nfs/dbraw/zinc/57/07/02/324570702.db2.gz AIMKAIFNUJQJIV-TYNCELHUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000037506857 388644669 /nfs/dbraw/zinc/64/46/69/388644669.db2.gz AIMKAIFNUJQJIV-LALPHHSUSA-N 1 0 245.366 3.548 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037509476 179282839 /nfs/dbraw/zinc/28/28/39/179282839.db2.gz PSYSFALGTCIZQU-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000037509477 179284315 /nfs/dbraw/zinc/28/43/15/179284315.db2.gz PSYSFALGTCIZQU-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]C1CCCCC1 ZINC000037509874 388644704 /nfs/dbraw/zinc/64/47/04/388644704.db2.gz FCNRTINRBKPFLK-ZDUSSCGKSA-N 1 0 247.382 3.549 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]C1CCCCC1 ZINC000037509876 388644604 /nfs/dbraw/zinc/64/46/04/388644604.db2.gz FCNRTINRBKPFLK-CYBMUJFWSA-N 1 0 247.382 3.549 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000037509902 358078078 /nfs/dbraw/zinc/07/80/78/358078078.db2.gz XUDWMQIORODVGJ-CYBMUJFWSA-N 1 0 247.382 3.987 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCCCC1 ZINC000037509904 358069896 /nfs/dbraw/zinc/06/98/96/358069896.db2.gz XUDWMQIORODVGJ-ZDUSSCGKSA-N 1 0 247.382 3.987 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc2c(c1)CCO2 ZINC000037509916 175860952 /nfs/dbraw/zinc/86/09/52/175860952.db2.gz IPSKAQCXWFMHSQ-GFCCVEGCSA-N 1 0 245.366 3.605 20 0 BHADRO c1ccc2c(c1)CSC[C@@H]2[NH2+]C1CCCCC1 ZINC000037509955 183448669 /nfs/dbraw/zinc/44/86/69/183448669.db2.gz RXFVYDIADDEGNO-HNNXBMFYSA-N 1 0 247.407 3.897 20 0 BHADRO c1ccc2c(c1)CSC[C@H]2[NH2+]C1CCCCC1 ZINC000037509956 538963295 /nfs/dbraw/zinc/96/32/95/538963295.db2.gz RXFVYDIADDEGNO-OAHLLOKOSA-N 1 0 247.407 3.897 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037510580 388644665 /nfs/dbraw/zinc/64/46/65/388644665.db2.gz FPJQHNBJEUZPPQ-KGLIPLIRSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037510582 324570942 /nfs/dbraw/zinc/57/09/42/324570942.db2.gz FPJQHNBJEUZPPQ-KBPBESRZSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037510583 388644731 /nfs/dbraw/zinc/64/47/31/388644731.db2.gz FPJQHNBJEUZPPQ-ZIAGYGMSSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037510585 388644705 /nfs/dbraw/zinc/64/47/05/388644705.db2.gz FPJQHNBJEUZPPQ-UONOGXRCSA-N 1 0 249.398 3.650 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000037532992 324570533 /nfs/dbraw/zinc/57/05/33/324570533.db2.gz ZGIHHEHXEUBPBY-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000037532993 388644766 /nfs/dbraw/zinc/64/47/66/388644766.db2.gz ZGIHHEHXEUBPBY-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000037533021 388644699 /nfs/dbraw/zinc/64/46/99/388644699.db2.gz INDYZQHMPJEHFE-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000037533022 388644781 /nfs/dbraw/zinc/64/47/81/388644781.db2.gz INDYZQHMPJEHFE-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CCC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000037533023 169277146 /nfs/dbraw/zinc/27/71/46/169277146.db2.gz IKPKPKJTUASJSK-AWEZNQCLSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000037533024 169288228 /nfs/dbraw/zinc/28/82/28/169288228.db2.gz IKPKPKJTUASJSK-CQSZACIVSA-N 1 0 235.371 3.782 20 0 BHADRO CC[NH2+][C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533569 324570814 /nfs/dbraw/zinc/57/08/14/324570814.db2.gz YDKBIFKTYKUWAG-INIZCTEOSA-N 1 0 243.325 3.833 20 0 BHADRO CC[NH2+][C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533570 324570806 /nfs/dbraw/zinc/57/08/06/324570806.db2.gz YDKBIFKTYKUWAG-MRXNPFEDSA-N 1 0 243.325 3.833 20 0 BHADRO C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037534078 388645886 /nfs/dbraw/zinc/64/58/86/388645886.db2.gz ISQUNGRTCUCJJC-CQSZACIVSA-N 1 0 249.716 3.788 20 0 BHADRO C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037534079 388645374 /nfs/dbraw/zinc/64/53/74/388645374.db2.gz ISQUNGRTCUCJJC-AWEZNQCLSA-N 1 0 249.716 3.788 20 0 BHADRO CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000037534609 348635829 /nfs/dbraw/zinc/63/58/29/348635829.db2.gz AJUKJYWMXOQFKX-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000037534610 348635875 /nfs/dbraw/zinc/63/58/75/348635875.db2.gz AJUKJYWMXOQFKX-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000037535664 173320990 /nfs/dbraw/zinc/32/09/90/173320990.db2.gz LUFWNDXYFRQTAW-UHFFFAOYSA-N 1 0 225.335 3.612 20 0 BHADRO C[NH2+]C(c1cccc(C)c1)c1cccc(C)c1 ZINC000037535715 388645890 /nfs/dbraw/zinc/64/58/90/388645890.db2.gz NCWNJZYAHXQYHH-UHFFFAOYSA-N 1 0 225.335 3.612 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+]C1CCCCCC1 ZINC000037565246 349271113 /nfs/dbraw/zinc/27/11/13/349271113.db2.gz JQMIBIGNDSUCQT-CQSZACIVSA-N 1 0 229.367 3.639 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+]C1CCCCCC1 ZINC000037565247 349271966 /nfs/dbraw/zinc/27/19/66/349271966.db2.gz JQMIBIGNDSUCQT-AWEZNQCLSA-N 1 0 229.367 3.639 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000037565252 364192043 /nfs/dbraw/zinc/19/20/43/364192043.db2.gz OCEQUUXYWQYDHI-SIWZUTFBSA-N 1 0 243.394 3.885 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000037565253 364191724 /nfs/dbraw/zinc/19/17/24/364191724.db2.gz OCEQUUXYWQYDHI-OGVSOVDVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000037565326 324570847 /nfs/dbraw/zinc/57/08/47/324570847.db2.gz MFOKAWPKQOHBNY-BBRMVZONSA-N 1 0 237.346 3.677 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000037565327 324571024 /nfs/dbraw/zinc/57/10/24/324571024.db2.gz MFOKAWPKQOHBNY-CJNGLKHVSA-N 1 0 237.346 3.677 20 0 BHADRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1 ZINC000037565328 388645174 /nfs/dbraw/zinc/64/51/74/388645174.db2.gz MFOKAWPKQOHBNY-XJKSGUPXSA-N 1 0 237.346 3.677 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1 ZINC000037565329 388645822 /nfs/dbraw/zinc/64/58/22/388645822.db2.gz MFOKAWPKQOHBNY-CZUORRHYSA-N 1 0 237.346 3.677 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccs1 ZINC000037565382 324570839 /nfs/dbraw/zinc/57/08/39/324570839.db2.gz UBOJSXGEHSESNB-AAEUAGOBSA-N 1 0 243.375 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccs1 ZINC000037565383 324570565 /nfs/dbraw/zinc/57/05/65/324570565.db2.gz UBOJSXGEHSESNB-YPMHNXCESA-N 1 0 243.375 3.739 20 0 BHADRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccs1 ZINC000037565384 324571020 /nfs/dbraw/zinc/57/10/20/324571020.db2.gz UBOJSXGEHSESNB-WCQYABFASA-N 1 0 243.375 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccs1 ZINC000037565385 388645418 /nfs/dbraw/zinc/64/54/18/388645418.db2.gz UBOJSXGEHSESNB-DGCLKSJQSA-N 1 0 243.375 3.739 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CCc2ccccc21 ZINC000037565420 538963245 /nfs/dbraw/zinc/96/32/45/538963245.db2.gz LLAPQRUSZDFRKE-YJBOKZPZSA-N 1 0 249.357 3.603 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CCc2ccccc21 ZINC000037565421 538963455 /nfs/dbraw/zinc/96/34/55/538963455.db2.gz LLAPQRUSZDFRKE-MAUKXSAKSA-N 1 0 249.357 3.603 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCc2ccccc21 ZINC000037565422 538963401 /nfs/dbraw/zinc/96/34/01/538963401.db2.gz LLAPQRUSZDFRKE-QAPCUYQASA-N 1 0 249.357 3.603 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCc2ccccc21 ZINC000037565423 538963332 /nfs/dbraw/zinc/96/33/32/538963332.db2.gz LLAPQRUSZDFRKE-CRAIPNDOSA-N 1 0 249.357 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)o1 ZINC000037565424 178842249 /nfs/dbraw/zinc/84/22/49/178842249.db2.gz QEWVREYADOWQSK-OCCSQVGLSA-N 1 0 241.334 3.579 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)o1 ZINC000037565425 178891154 /nfs/dbraw/zinc/89/11/54/178891154.db2.gz QEWVREYADOWQSK-JSGCOSHPSA-N 1 0 241.334 3.579 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)o1 ZINC000037565426 387564247 /nfs/dbraw/zinc/56/42/47/387564247.db2.gz QEWVREYADOWQSK-TZMCWYRMSA-N 1 0 241.334 3.579 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)o1 ZINC000037565427 387565015 /nfs/dbraw/zinc/56/50/15/387565015.db2.gz QEWVREYADOWQSK-GXTWGEPZSA-N 1 0 241.334 3.579 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565612 538963460 /nfs/dbraw/zinc/96/34/60/538963460.db2.gz LYYNIXICGNAKOD-AWEZNQCLSA-N 1 0 231.383 3.885 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565613 538963333 /nfs/dbraw/zinc/96/33/33/538963333.db2.gz LYYNIXICGNAKOD-CQSZACIVSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565614 166892502 /nfs/dbraw/zinc/89/25/02/166892502.db2.gz OKXXZJDLWXWGBV-HIFRSBDPSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565615 166905434 /nfs/dbraw/zinc/90/54/34/166905434.db2.gz OKXXZJDLWXWGBV-ZFWWWQNUSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565616 166892123 /nfs/dbraw/zinc/89/21/23/166892123.db2.gz OKXXZJDLWXWGBV-UKRRQHHQSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565617 166904653 /nfs/dbraw/zinc/90/46/53/166904653.db2.gz OKXXZJDLWXWGBV-DZGCQCFKSA-N 1 0 231.383 3.741 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565744 712665926 /nfs/dbraw/zinc/66/59/26/712665926.db2.gz IBNJLEOLGWHPPS-HIFRSBDPSA-N 1 0 231.383 3.885 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565745 712665995 /nfs/dbraw/zinc/66/59/95/712665995.db2.gz IBNJLEOLGWHPPS-ZFWWWQNUSA-N 1 0 231.383 3.885 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565746 712665905 /nfs/dbraw/zinc/66/59/05/712665905.db2.gz IBNJLEOLGWHPPS-UKRRQHHQSA-N 1 0 231.383 3.885 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565747 712666043 /nfs/dbraw/zinc/66/60/43/712666043.db2.gz IBNJLEOLGWHPPS-DZGCQCFKSA-N 1 0 231.383 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CCCCC1 ZINC000037566013 324570855 /nfs/dbraw/zinc/57/08/55/324570855.db2.gz DIBYTVJKQCFDMP-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CCCCC1 ZINC000037566014 388645589 /nfs/dbraw/zinc/64/55/89/388645589.db2.gz DIBYTVJKQCFDMP-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CCCCC1 ZINC000037566015 388645811 /nfs/dbraw/zinc/64/58/11/388645811.db2.gz DIBYTVJKQCFDMP-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CCCCC1 ZINC000037566016 324570464 /nfs/dbraw/zinc/57/04/64/324570464.db2.gz DIBYTVJKQCFDMP-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO CCOc1cccc(C[NH2+]C2CCC(C)CC2)c1 ZINC000037678204 358091662 /nfs/dbraw/zinc/09/16/62/358091662.db2.gz YRPHCNWQFHNYQY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000037678264 388646691 /nfs/dbraw/zinc/64/66/91/388646691.db2.gz HFZMQOWSIWKLMD-AWEZNQCLSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000037678266 388646683 /nfs/dbraw/zinc/64/66/83/388646683.db2.gz HFZMQOWSIWKLMD-CQSZACIVSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000037678520 388646378 /nfs/dbraw/zinc/64/63/78/388646378.db2.gz CRTPIYHLSUYHHS-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000037678522 388646240 /nfs/dbraw/zinc/64/62/40/388646240.db2.gz CRTPIYHLSUYHHS-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000037678543 170578772 /nfs/dbraw/zinc/57/87/72/170578772.db2.gz MOOVDHQJCDPYMJ-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000037678545 343351272 /nfs/dbraw/zinc/35/12/72/343351272.db2.gz MOOVDHQJCDPYMJ-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000037679475 388646356 /nfs/dbraw/zinc/64/63/56/388646356.db2.gz WTDRTEYOHGGXLR-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000037679477 388646741 /nfs/dbraw/zinc/64/67/41/388646741.db2.gz WTDRTEYOHGGXLR-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)CC)c1 ZINC000037679479 388646760 /nfs/dbraw/zinc/64/67/60/388646760.db2.gz WTDRTEYOHGGXLR-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000037679481 388646246 /nfs/dbraw/zinc/64/62/46/388646246.db2.gz WTDRTEYOHGGXLR-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000037679564 324571872 /nfs/dbraw/zinc/57/18/72/324571872.db2.gz RXWHWNLYXUHEDC-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000037679566 324571912 /nfs/dbraw/zinc/57/19/12/324571912.db2.gz RXWHWNLYXUHEDC-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](CC)C(C)C)c1 ZINC000037679568 324571763 /nfs/dbraw/zinc/57/17/63/324571763.db2.gz YJCKAPVHXKXMTL-HNNXBMFYSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](CC)C(C)C)c1 ZINC000037679570 324571792 /nfs/dbraw/zinc/57/17/92/324571792.db2.gz YJCKAPVHXKXMTL-OAHLLOKOSA-N 1 0 235.371 3.610 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cccc(OC)c1 ZINC000037680235 324571866 /nfs/dbraw/zinc/57/18/66/324571866.db2.gz YDAAUJOTVZEGDJ-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000037680574 324572245 /nfs/dbraw/zinc/57/22/45/324572245.db2.gz DKGPJEVPKBYPJI-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000037680575 324571670 /nfs/dbraw/zinc/57/16/70/324571670.db2.gz DKGPJEVPKBYPJI-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000037685946 384510747 /nfs/dbraw/zinc/51/07/47/384510747.db2.gz WSKNCPBLTQGPFK-NSHDSACASA-N 1 0 223.385 3.858 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000037685947 322829034 /nfs/dbraw/zinc/82/90/34/322829034.db2.gz WSKNCPBLTQGPFK-LLVKDONJSA-N 1 0 223.385 3.858 20 0 BHADRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC)cc1 ZINC000037707548 324571850 /nfs/dbraw/zinc/57/18/50/324571850.db2.gz HPTPVZWAFMESTC-YVZNUBBCSA-N 1 0 247.382 3.572 20 0 BHADRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC)cc1 ZINC000037707550 324571502 /nfs/dbraw/zinc/57/15/02/324571502.db2.gz HPTPVZWAFMESTC-YVARQFDVSA-N 1 0 247.382 3.572 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCc1cccnc1 ZINC000037717955 323346113 /nfs/dbraw/zinc/34/61/13/323346113.db2.gz CFNDWKQNJADOCM-UHFFFAOYSA-N 1 0 248.414 3.675 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1cccnc1 ZINC000037717978 712750045 /nfs/dbraw/zinc/75/00/45/712750045.db2.gz QBEZPNHKKRFQDV-CQSZACIVSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1cccnc1 ZINC000037717979 712750029 /nfs/dbraw/zinc/75/00/29/712750029.db2.gz QBEZPNHKKRFQDV-AWEZNQCLSA-N 1 0 234.387 3.573 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1ccccc1C ZINC000037718938 169359953 /nfs/dbraw/zinc/35/99/53/169359953.db2.gz QNFJAFXXDWRERC-GFCCVEGCSA-N 1 0 205.345 3.521 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1ccccc1C ZINC000037718939 169482698 /nfs/dbraw/zinc/48/26/98/169482698.db2.gz QNFJAFXXDWRERC-LBPRGKRZSA-N 1 0 205.345 3.521 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000037718994 179283123 /nfs/dbraw/zinc/28/31/23/179283123.db2.gz FSOXFWPCPCRPMT-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccccc1C ZINC000037719057 384516838 /nfs/dbraw/zinc/51/68/38/384516838.db2.gz XHMOPHAEWTXGBY-CYBMUJFWSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccccc1C ZINC000037719058 322829298 /nfs/dbraw/zinc/82/92/98/322829298.db2.gz XHMOPHAEWTXGBY-ZDUSSCGKSA-N 1 0 205.345 3.663 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC000037719059 384516982 /nfs/dbraw/zinc/51/69/82/384516982.db2.gz BSVDADVIYDWDPY-AWEZNQCLSA-N 1 0 205.345 3.519 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1C)C(C)C ZINC000037719060 384515929 /nfs/dbraw/zinc/51/59/29/384515929.db2.gz BSVDADVIYDWDPY-CQSZACIVSA-N 1 0 205.345 3.519 20 0 BHADRO CCCC1CCC([NH2+]CCc2ccncc2)CC1 ZINC000037719317 324572920 /nfs/dbraw/zinc/57/29/20/324572920.db2.gz LFVAPRGGEXMJLM-UHFFFAOYSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC000037731400 323346817 /nfs/dbraw/zinc/34/68/17/323346817.db2.gz SQVHJKXDHYJXSW-CQSZACIVSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC000037731401 323346874 /nfs/dbraw/zinc/34/68/74/323346874.db2.gz SQVHJKXDHYJXSW-AWEZNQCLSA-N 1 0 217.356 3.700 20 0 BHADRO CCOc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000037731409 356694963 /nfs/dbraw/zinc/69/49/63/356694963.db2.gz CCYLGCCGPMYOSH-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000037738848 169011292 /nfs/dbraw/zinc/01/12/92/169011292.db2.gz CCZUQVTYJGYVIC-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000037738849 168974266 /nfs/dbraw/zinc/97/42/66/168974266.db2.gz CCZUQVTYJGYVIC-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000037738850 169011319 /nfs/dbraw/zinc/01/13/19/169011319.db2.gz CCZUQVTYJGYVIC-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000037738851 168973397 /nfs/dbraw/zinc/97/33/97/168973397.db2.gz CCZUQVTYJGYVIC-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CCCC2)o1 ZINC000037739310 356995944 /nfs/dbraw/zinc/99/59/44/356995944.db2.gz OCPKZCNBQAZQNZ-GFCCVEGCSA-N 1 0 221.344 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CCCC2)o1 ZINC000037739311 356995704 /nfs/dbraw/zinc/99/57/04/356995704.db2.gz OCPKZCNBQAZQNZ-LBPRGKRZSA-N 1 0 221.344 3.819 20 0 BHADRO CC1CCC([NH2+]CCC2CCCC2)CC1 ZINC000037739324 364564739 /nfs/dbraw/zinc/56/47/39/364564739.db2.gz MOOQWIQPITZHAA-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1cccs1 ZINC000037739406 384515180 /nfs/dbraw/zinc/51/51/80/384515180.db2.gz QUHVSYYTVQLAOH-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1cccs1 ZINC000037739407 322829294 /nfs/dbraw/zinc/82/92/94/322829294.db2.gz QUHVSYYTVQLAOH-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1ccco1 ZINC000037739446 384516511 /nfs/dbraw/zinc/51/65/11/384516511.db2.gz BLOSDBVOOYULSM-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1ccco1 ZINC000037739447 384515110 /nfs/dbraw/zinc/51/51/10/384515110.db2.gz BLOSDBVOOYULSM-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC2CCCC2)cc1 ZINC000037739451 175188613 /nfs/dbraw/zinc/18/86/13/175188613.db2.gz MFMVSFDDLYNTQS-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC2CCCC2)cc1 ZINC000037739452 188288316 /nfs/dbraw/zinc/28/83/16/188288316.db2.gz MFMVSFDDLYNTQS-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000037739456 388647749 /nfs/dbraw/zinc/64/77/49/388647749.db2.gz YUJUKWYJKJPBQG-ZDUSSCGKSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000037739457 388647746 /nfs/dbraw/zinc/64/77/46/388647746.db2.gz YUJUKWYJKJPBQG-CYBMUJFWSA-N 1 0 217.356 3.918 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000037739460 175293644 /nfs/dbraw/zinc/29/36/44/175293644.db2.gz KFAOSVMRHRYSFK-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000037739461 175286255 /nfs/dbraw/zinc/28/62/55/175286255.db2.gz KFAOSVMRHRYSFK-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1cccc(O)c1 ZINC000037739468 388647669 /nfs/dbraw/zinc/64/76/69/388647669.db2.gz KZQIMQWMUUKUCQ-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1cccc(O)c1 ZINC000037739469 388647077 /nfs/dbraw/zinc/64/70/77/388647077.db2.gz KZQIMQWMUUKUCQ-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000037739493 175351097 /nfs/dbraw/zinc/35/10/97/175351097.db2.gz ROKOVUGYGNWXFA-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000037739494 175344980 /nfs/dbraw/zinc/34/49/80/175344980.db2.gz ROKOVUGYGNWXFA-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC2CCCC2)cs1 ZINC000037739698 180034922 /nfs/dbraw/zinc/03/49/22/180034922.db2.gz HJWLFDQLHCQMOO-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC2CCCC2)cs1 ZINC000037739699 180049215 /nfs/dbraw/zinc/04/92/15/180049215.db2.gz HJWLFDQLHCQMOO-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCOc1cccc(C[NH2+]CCC2CCCC2)c1 ZINC000037739809 363896964 /nfs/dbraw/zinc/89/69/64/363896964.db2.gz XOMXXIOMSMOITE-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccccn1 ZINC000037739853 388647524 /nfs/dbraw/zinc/64/75/24/388647524.db2.gz CRAUXHYYMVDUCX-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccccn1 ZINC000037739854 388647797 /nfs/dbraw/zinc/64/77/97/388647797.db2.gz CRAUXHYYMVDUCX-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccncc1 ZINC000037739887 176841720 /nfs/dbraw/zinc/84/17/20/176841720.db2.gz MUHSAVJMGXFKGN-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccncc1 ZINC000037739888 175872990 /nfs/dbraw/zinc/87/29/90/175872990.db2.gz MUHSAVJMGXFKGN-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1cccnc1 ZINC000037739889 324574082 /nfs/dbraw/zinc/57/40/82/324574082.db2.gz OCIYWHPZEYFTKK-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1cccnc1 ZINC000037739890 388647535 /nfs/dbraw/zinc/64/75/35/388647535.db2.gz OCIYWHPZEYFTKK-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccco1 ZINC000037739896 356995507 /nfs/dbraw/zinc/99/55/07/356995507.db2.gz GPRAZCSKAXVGRI-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccco1 ZINC000037739897 356995723 /nfs/dbraw/zinc/99/57/23/356995723.db2.gz GPRAZCSKAXVGRI-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO C(CC1CCCCC1)[NH2+]C(C1CC1)C1CC1 ZINC000037739898 356995607 /nfs/dbraw/zinc/99/56/07/356995607.db2.gz UBQISQSEICLSNG-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC000037739933 363896883 /nfs/dbraw/zinc/89/68/83/363896883.db2.gz VPFFADKIAXZZAK-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000037739934 363896898 /nfs/dbraw/zinc/89/68/98/363896898.db2.gz VPFFADKIAXZZAK-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)C1(C)CC1 ZINC000037739967 384514932 /nfs/dbraw/zinc/51/49/32/384514932.db2.gz PPICTMOTCWVZIW-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)C1(C)CC1 ZINC000037739968 322829215 /nfs/dbraw/zinc/82/92/15/322829215.db2.gz PPICTMOTCWVZIW-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037740149 174740044 /nfs/dbraw/zinc/74/00/44/174740044.db2.gz PAPFGYUHIZAXFE-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037740150 174875296 /nfs/dbraw/zinc/87/52/96/174875296.db2.gz PAPFGYUHIZAXFE-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037740151 363896374 /nfs/dbraw/zinc/89/63/74/363896374.db2.gz PAPFGYUHIZAXFE-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037740152 388647625 /nfs/dbraw/zinc/64/76/25/388647625.db2.gz PAPFGYUHIZAXFE-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCc1ccc(C[NH2+]CCC2CCCC2)s1 ZINC000037741367 388647194 /nfs/dbraw/zinc/64/71/94/388647194.db2.gz JNWSKTGIUJXPTF-UHFFFAOYSA-N 1 0 237.412 3.980 20 0 BHADRO CCC[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000037758320 169081732 /nfs/dbraw/zinc/08/17/32/169081732.db2.gz WSSCTLVPHPFDQB-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1COCC ZINC000037762173 169371017 /nfs/dbraw/zinc/37/10/17/169371017.db2.gz WUYDJOGMJLHCOX-CYBMUJFWSA-N 1 0 235.371 3.501 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1COCC ZINC000037762174 387468713 /nfs/dbraw/zinc/46/87/13/387468713.db2.gz WUYDJOGMJLHCOX-ZDUSSCGKSA-N 1 0 235.371 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)CC(C)C ZINC000037762206 712754967 /nfs/dbraw/zinc/75/49/67/712754967.db2.gz FHBZVWPPOHZBKC-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)CC(C)C ZINC000037762207 712755005 /nfs/dbraw/zinc/75/50/05/712755005.db2.gz FHBZVWPPOHZBKC-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+]C(CC)CC ZINC000037762218 170459255 /nfs/dbraw/zinc/45/92/55/170459255.db2.gz MGQXQHRPOUWARN-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1ccccc1COCC ZINC000037762261 169359961 /nfs/dbraw/zinc/35/99/61/169359961.db2.gz ZNLAQKQXYXRZFV-CQSZACIVSA-N 1 0 249.398 3.749 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1ccccc1COCC ZINC000037762262 388647786 /nfs/dbraw/zinc/64/77/86/388647786.db2.gz ZNLAQKQXYXRZFV-AWEZNQCLSA-N 1 0 249.398 3.749 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)[C@H](C)CC ZINC000037762266 712755165 /nfs/dbraw/zinc/75/51/65/712755165.db2.gz ORILFLUIBJDOGP-ZIAGYGMSSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)[C@@H](C)CC ZINC000037762267 712755158 /nfs/dbraw/zinc/75/51/58/712755158.db2.gz ORILFLUIBJDOGP-UONOGXRCSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)[C@H](C)CC ZINC000037762268 712755008 /nfs/dbraw/zinc/75/50/08/712755008.db2.gz ORILFLUIBJDOGP-KGLIPLIRSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CC ZINC000037762269 170459183 /nfs/dbraw/zinc/45/91/83/170459183.db2.gz ORILFLUIBJDOGP-KBPBESRZSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000037762283 387568754 /nfs/dbraw/zinc/56/87/54/387568754.db2.gz RIFBOZGQNAFVBX-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000037762284 387568567 /nfs/dbraw/zinc/56/85/67/387568567.db2.gz RIFBOZGQNAFVBX-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccccc1COCC ZINC000037762317 363896924 /nfs/dbraw/zinc/89/69/24/363896924.db2.gz ADIKQIPLLZBZJD-CQSZACIVSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccccc1COCC ZINC000037762318 168990828 /nfs/dbraw/zinc/99/08/28/168990828.db2.gz ADIKQIPLLZBZJD-AWEZNQCLSA-N 1 0 249.398 3.891 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](CC)C(C)C ZINC000037762319 170459290 /nfs/dbraw/zinc/45/92/90/170459290.db2.gz GZXBKKMBLGKCKI-INIZCTEOSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](CC)C(C)C ZINC000037762320 712755122 /nfs/dbraw/zinc/75/51/22/712755122.db2.gz GZXBKKMBLGKCKI-MRXNPFEDSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+]CCC(C)(C)C ZINC000037762422 324575139 /nfs/dbraw/zinc/57/51/39/324575139.db2.gz VDUQCEMPNSSOEB-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccccc1COC ZINC000037762586 363896335 /nfs/dbraw/zinc/89/63/35/363896335.db2.gz LSSBMMHZFIHSTM-UHFFFAOYSA-N 1 0 249.398 3.891 20 0 BHADRO COCc1ccccc1C[NH2+]C1CCC(C)CC1 ZINC000037762600 712754872 /nfs/dbraw/zinc/75/48/72/712754872.db2.gz VHFSMUOYIZKNSV-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H](C)CCC(C)C ZINC000037762724 363896292 /nfs/dbraw/zinc/89/62/92/363896292.db2.gz CCDWXYJKYYALMJ-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H](C)CCC(C)C ZINC000037762725 363897073 /nfs/dbraw/zinc/89/70/73/363897073.db2.gz CCDWXYJKYYALMJ-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccccc1COC ZINC000037762744 711481195 /nfs/dbraw/zinc/48/11/95/711481195.db2.gz BHFQDRFCFOHJSD-CQSZACIVSA-N 1 0 249.398 3.891 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccccc1COC ZINC000037762745 712755061 /nfs/dbraw/zinc/75/50/61/712755061.db2.gz BHFQDRFCFOHJSD-AWEZNQCLSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccccc1COC ZINC000037762816 712755151 /nfs/dbraw/zinc/75/51/51/712755151.db2.gz AZZPLAIUSUWBEI-CYBMUJFWSA-N 1 0 235.371 3.501 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccccc1COC ZINC000037762817 712755106 /nfs/dbraw/zinc/75/51/06/712755106.db2.gz AZZPLAIUSUWBEI-ZDUSSCGKSA-N 1 0 235.371 3.501 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000037764661 384528029 /nfs/dbraw/zinc/52/80/29/384528029.db2.gz UCHBLSRSFHETSN-MNOVXSKESA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000037764662 384527303 /nfs/dbraw/zinc/52/73/03/384527303.db2.gz UCHBLSRSFHETSN-QWRGUYRKSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000037764663 384529216 /nfs/dbraw/zinc/52/92/16/384529216.db2.gz UCHBLSRSFHETSN-GHMZBOCLSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000037764664 384529421 /nfs/dbraw/zinc/52/94/21/384529421.db2.gz UCHBLSRSFHETSN-WDEREUQCSA-N 1 0 209.308 3.522 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1F ZINC000037764711 712755488 /nfs/dbraw/zinc/75/54/88/712755488.db2.gz XEOCALVOXZQVQE-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1F ZINC000037764712 712755510 /nfs/dbraw/zinc/75/55/10/712755510.db2.gz XEOCALVOXZQVQE-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C1(C)CC1 ZINC000037764713 712755521 /nfs/dbraw/zinc/75/55/21/712755521.db2.gz XEOCALVOXZQVQE-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1F ZINC000037764714 712755519 /nfs/dbraw/zinc/75/55/19/712755519.db2.gz XEOCALVOXZQVQE-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000037764851 388647774 /nfs/dbraw/zinc/64/77/74/388647774.db2.gz OPHIRHZSEKJHPM-TUAOUCFPSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000037764853 324574960 /nfs/dbraw/zinc/57/49/60/324574960.db2.gz OPHIRHZSEKJHPM-SRVKXCTJSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000037769893 384012470 /nfs/dbraw/zinc/01/24/70/384012470.db2.gz SUDIAKJTIYQIQB-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000037769894 384012731 /nfs/dbraw/zinc/01/27/31/384012731.db2.gz SUDIAKJTIYQIQB-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000037770089 384013163 /nfs/dbraw/zinc/01/31/63/384013163.db2.gz JDHXZBLHBDUSAA-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000037770090 384013071 /nfs/dbraw/zinc/01/30/71/384013071.db2.gz JDHXZBLHBDUSAA-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000037770100 384013571 /nfs/dbraw/zinc/01/35/71/384013571.db2.gz HJPDMZDWNZBDSL-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000037770101 384014831 /nfs/dbraw/zinc/01/48/31/384014831.db2.gz HJPDMZDWNZBDSL-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)cc2)cc1 ZINC000037770236 388939254 /nfs/dbraw/zinc/93/92/54/388939254.db2.gz FSHIXDVAUYEROR-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)cc2)cc1 ZINC000037770237 388939210 /nfs/dbraw/zinc/93/92/10/388939210.db2.gz FSHIXDVAUYEROR-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770519 174874530 /nfs/dbraw/zinc/87/45/30/174874530.db2.gz GOFLHJUYALKCCO-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770520 174875161 /nfs/dbraw/zinc/87/51/61/174875161.db2.gz GOFLHJUYALKCCO-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1 ZINC000037770586 178838728 /nfs/dbraw/zinc/83/87/28/178838728.db2.gz ZGORMFSORVRMLI-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1 ZINC000037770587 384015061 /nfs/dbraw/zinc/01/50/61/384015061.db2.gz ZGORMFSORVRMLI-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770716 384527532 /nfs/dbraw/zinc/52/75/32/384527532.db2.gz BUAHUMBWJZYPHG-YPMHNXCESA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770717 384528495 /nfs/dbraw/zinc/52/84/95/384528495.db2.gz BUAHUMBWJZYPHG-AAEUAGOBSA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770718 322829841 /nfs/dbraw/zinc/82/98/41/322829841.db2.gz BUAHUMBWJZYPHG-DGCLKSJQSA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770719 322829691 /nfs/dbraw/zinc/82/96/91/322829691.db2.gz BUAHUMBWJZYPHG-WCQYABFASA-N 1 0 205.345 3.692 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000037770786 712756012 /nfs/dbraw/zinc/75/60/12/712756012.db2.gz KJMNAROZFYGZEW-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000037770787 712756029 /nfs/dbraw/zinc/75/60/29/712756029.db2.gz KJMNAROZFYGZEW-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000037770788 712755989 /nfs/dbraw/zinc/75/59/89/712755989.db2.gz KJMNAROZFYGZEW-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000037770789 712756037 /nfs/dbraw/zinc/75/60/37/712756037.db2.gz KJMNAROZFYGZEW-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770868 363896912 /nfs/dbraw/zinc/89/69/12/363896912.db2.gz AEMVFCAYEDPIPB-UONOGXRCSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770869 363897070 /nfs/dbraw/zinc/89/70/70/363897070.db2.gz AEMVFCAYEDPIPB-KBPBESRZSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770870 363896706 /nfs/dbraw/zinc/89/67/06/363896706.db2.gz AEMVFCAYEDPIPB-ZIAGYGMSSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770871 363896690 /nfs/dbraw/zinc/89/66/90/363896690.db2.gz AEMVFCAYEDPIPB-KGLIPLIRSA-N 1 0 249.398 3.849 20 0 BHADRO COc1cccc([C@H](C)[NH2+]Cc2ccsc2)c1 ZINC000037771294 175293621 /nfs/dbraw/zinc/29/36/21/175293621.db2.gz IHRSBTOHYHDKMO-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]Cc2ccsc2)c1 ZINC000037771295 175286877 /nfs/dbraw/zinc/28/68/77/175286877.db2.gz IHRSBTOHYHDKMO-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771296 168363211 /nfs/dbraw/zinc/36/32/11/168363211.db2.gz XYZPVSCHTICNNO-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000037771297 168364757 /nfs/dbraw/zinc/36/47/57/168364757.db2.gz XYZPVSCHTICNNO-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771433 363896668 /nfs/dbraw/zinc/89/66/68/363896668.db2.gz UDIWCIDHXRPLPL-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771434 363897026 /nfs/dbraw/zinc/89/70/26/363897026.db2.gz UDIWCIDHXRPLPL-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000037771435 487879569 /nfs/dbraw/zinc/87/95/69/487879569.db2.gz UDIWCIDHXRPLPL-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000037771436 487879416 /nfs/dbraw/zinc/87/94/16/487879416.db2.gz UDIWCIDHXRPLPL-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000037771579 175293277 /nfs/dbraw/zinc/29/32/77/175293277.db2.gz BBNPYYNHFGRWSM-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000037771580 175287474 /nfs/dbraw/zinc/28/74/74/175287474.db2.gz BBNPYYNHFGRWSM-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000037771581 175293381 /nfs/dbraw/zinc/29/33/81/175293381.db2.gz BBNPYYNHFGRWSM-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000037771582 175287616 /nfs/dbraw/zinc/28/76/16/175287616.db2.gz BBNPYYNHFGRWSM-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771613 169360382 /nfs/dbraw/zinc/36/03/82/169360382.db2.gz MWJHUSQNTDNWKA-OLZOCXBDSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771614 388647168 /nfs/dbraw/zinc/64/71/68/388647168.db2.gz MWJHUSQNTDNWKA-STQMWFEESA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000037771615 169361145 /nfs/dbraw/zinc/36/11/45/169361145.db2.gz MWJHUSQNTDNWKA-CHWSQXEVSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000037771616 388647388 /nfs/dbraw/zinc/64/73/88/388647388.db2.gz MWJHUSQNTDNWKA-QWHCGFSZSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771624 171366425 /nfs/dbraw/zinc/36/64/25/171366425.db2.gz UDHVKVMRIBFAFZ-XQQFMLRXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037771626 171390101 /nfs/dbraw/zinc/39/01/01/171390101.db2.gz UDHVKVMRIBFAFZ-AVGNSLFASA-N 1 0 235.371 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000037771639 388647724 /nfs/dbraw/zinc/64/77/24/388647724.db2.gz RNZBNFDUCIDMDD-KBPBESRZSA-N 1 0 245.366 3.702 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000037771640 324576056 /nfs/dbraw/zinc/57/60/56/324576056.db2.gz RNZBNFDUCIDMDD-KGLIPLIRSA-N 1 0 245.366 3.702 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000037771641 324575982 /nfs/dbraw/zinc/57/59/82/324575982.db2.gz RNZBNFDUCIDMDD-UONOGXRCSA-N 1 0 245.366 3.702 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000037771642 388647894 /nfs/dbraw/zinc/64/78/94/388647894.db2.gz RNZBNFDUCIDMDD-ZIAGYGMSSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000037771924 388647007 /nfs/dbraw/zinc/64/70/07/388647007.db2.gz IXQXOPUWJVDMEN-ZJUUUORDSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000037771925 388647768 /nfs/dbraw/zinc/64/77/68/388647768.db2.gz IXQXOPUWJVDMEN-UWVGGRQHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000037771926 388646976 /nfs/dbraw/zinc/64/69/76/388646976.db2.gz IXQXOPUWJVDMEN-NXEZZACHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000037771927 323362485 /nfs/dbraw/zinc/36/24/85/323362485.db2.gz IXQXOPUWJVDMEN-VHSXEESVSA-N 1 0 227.298 3.662 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)c(C)c1 ZINC000037772192 178838828 /nfs/dbraw/zinc/83/88/28/178838828.db2.gz XPPUKDRQUFDFMK-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)c(C)c1 ZINC000037772193 384015069 /nfs/dbraw/zinc/01/50/69/384015069.db2.gz XPPUKDRQUFDFMK-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037772224 712756112 /nfs/dbraw/zinc/75/61/12/712756112.db2.gz SSKFNPJMKNEZCU-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037772225 712756114 /nfs/dbraw/zinc/75/61/14/712756114.db2.gz SSKFNPJMKNEZCU-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037776855 179288290 /nfs/dbraw/zinc/28/82/90/179288290.db2.gz LLHACVCBTOSROW-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037776856 179291439 /nfs/dbraw/zinc/29/14/39/179291439.db2.gz LLHACVCBTOSROW-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037776857 179288144 /nfs/dbraw/zinc/28/81/44/179288144.db2.gz LLHACVCBTOSROW-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037776858 179290943 /nfs/dbraw/zinc/29/09/43/179290943.db2.gz LLHACVCBTOSROW-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000037776859 179288940 /nfs/dbraw/zinc/28/89/40/179288940.db2.gz NRORNWUDIRUQPE-CYBMUJFWSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000037776860 324576304 /nfs/dbraw/zinc/57/63/04/324576304.db2.gz NRORNWUDIRUQPE-ZDUSSCGKSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000037776955 324575754 /nfs/dbraw/zinc/57/57/54/324575754.db2.gz BBALJDIRJOJJQJ-KGLIPLIRSA-N 1 0 219.372 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000037776956 388648031 /nfs/dbraw/zinc/64/80/31/388648031.db2.gz BBALJDIRJOJJQJ-KBPBESRZSA-N 1 0 219.372 3.560 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000037776957 388648241 /nfs/dbraw/zinc/64/82/41/388648241.db2.gz BBALJDIRJOJJQJ-ZIAGYGMSSA-N 1 0 219.372 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C(C)C ZINC000037776958 388648466 /nfs/dbraw/zinc/64/84/66/388648466.db2.gz BBALJDIRJOJJQJ-UONOGXRCSA-N 1 0 219.372 3.560 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037776987 324576017 /nfs/dbraw/zinc/57/60/17/324576017.db2.gz VIZFZPKSXNJUOI-ZDUSSCGKSA-N 1 0 219.372 3.704 20 0 BHADRO CCC(CC)[NH2+][C@H](C)Cc1ccccc1C ZINC000037776988 324575787 /nfs/dbraw/zinc/57/57/87/324575787.db2.gz VIZFZPKSXNJUOI-CYBMUJFWSA-N 1 0 219.372 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccs1 ZINC000037777033 179289242 /nfs/dbraw/zinc/28/92/42/179289242.db2.gz KDFKNTJKMCDHGH-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]Cc1cccs1 ZINC000037777034 179291253 /nfs/dbraw/zinc/29/12/53/179291253.db2.gz KDFKNTJKMCDHGH-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2C)o1 ZINC000037777041 324576293 /nfs/dbraw/zinc/57/62/93/324576293.db2.gz PCIVEQYQFURHBK-CYBMUJFWSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2C)o1 ZINC000037777042 388648588 /nfs/dbraw/zinc/64/85/88/388648588.db2.gz PCIVEQYQFURHBK-ZDUSSCGKSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccsc1 ZINC000037777049 179288486 /nfs/dbraw/zinc/28/84/86/179288486.db2.gz MIDCOMKMCDAZGK-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccsc1 ZINC000037777050 179290553 /nfs/dbraw/zinc/29/05/53/179290553.db2.gz MIDCOMKMCDAZGK-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC(C)C ZINC000037777057 388648848 /nfs/dbraw/zinc/64/88/48/388648848.db2.gz LBQKJWHCNVZLRX-CQSZACIVSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC(C)C ZINC000037777058 388648300 /nfs/dbraw/zinc/64/83/00/388648300.db2.gz LBQKJWHCNVZLRX-AWEZNQCLSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCCCC1 ZINC000037777097 179289062 /nfs/dbraw/zinc/28/90/62/179289062.db2.gz LUWBTRVLKWMZKI-CQSZACIVSA-N 1 0 231.383 3.848 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]C1CCCCC1 ZINC000037777098 179290685 /nfs/dbraw/zinc/29/06/85/179290685.db2.gz LUWBTRVLKWMZKI-AWEZNQCLSA-N 1 0 231.383 3.848 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777103 538963785 /nfs/dbraw/zinc/96/37/85/538963785.db2.gz VHVOYEZPJDJNGC-KGLIPLIRSA-N 1 0 219.372 3.704 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777104 538963907 /nfs/dbraw/zinc/96/39/07/538963907.db2.gz VHVOYEZPJDJNGC-KBPBESRZSA-N 1 0 219.372 3.704 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000037777105 538963922 /nfs/dbraw/zinc/96/39/22/538963922.db2.gz VHVOYEZPJDJNGC-ZIAGYGMSSA-N 1 0 219.372 3.704 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000037777106 538963664 /nfs/dbraw/zinc/96/36/64/538963664.db2.gz VHVOYEZPJDJNGC-UONOGXRCSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777237 324575932 /nfs/dbraw/zinc/57/59/32/324575932.db2.gz BSIXSRPRQFTKFT-OCCSQVGLSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777238 324575990 /nfs/dbraw/zinc/57/59/90/324575990.db2.gz BSIXSRPRQFTKFT-JSGCOSHPSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000037777239 388648309 /nfs/dbraw/zinc/64/83/09/388648309.db2.gz BSIXSRPRQFTKFT-TZMCWYRMSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000037777240 388648237 /nfs/dbraw/zinc/64/82/37/388648237.db2.gz BSIXSRPRQFTKFT-GXTWGEPZSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000037777255 179289015 /nfs/dbraw/zinc/28/90/15/179289015.db2.gz JDQCFJFQIJSDOC-KGLIPLIRSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000037777256 179291186 /nfs/dbraw/zinc/29/11/86/179291186.db2.gz JDQCFJFQIJSDOC-KBPBESRZSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000037777257 179288259 /nfs/dbraw/zinc/28/82/59/179288259.db2.gz JDQCFJFQIJSDOC-ZIAGYGMSSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000037777258 179290455 /nfs/dbraw/zinc/29/04/55/179290455.db2.gz JDQCFJFQIJSDOC-UONOGXRCSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000037777289 179288589 /nfs/dbraw/zinc/28/85/89/179288589.db2.gz FLAVCODDWRLEKX-OAHLLOKOSA-N 1 0 239.362 3.716 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1 ZINC000037777290 179290545 /nfs/dbraw/zinc/29/05/45/179290545.db2.gz FLAVCODDWRLEKX-HNNXBMFYSA-N 1 0 239.362 3.716 20 0 BHADRO CCCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777303 388648062 /nfs/dbraw/zinc/64/80/62/388648062.db2.gz HYQZZAAKIWTUDX-AWEZNQCLSA-N 1 0 219.372 3.706 20 0 BHADRO CCCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000037777304 388648657 /nfs/dbraw/zinc/64/86/57/388648657.db2.gz HYQZZAAKIWTUDX-CQSZACIVSA-N 1 0 219.372 3.706 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037778530 388951201 /nfs/dbraw/zinc/95/12/01/388951201.db2.gz NLPYFUPYIOBXEY-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000037778531 168363700 /nfs/dbraw/zinc/36/37/00/168363700.db2.gz NLPYFUPYIOBXEY-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037778671 388648189 /nfs/dbraw/zinc/64/81/89/388648189.db2.gz BGAGTDRGWQIBDC-MELADBBJSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037778673 324575954 /nfs/dbraw/zinc/57/59/54/324575954.db2.gz BGAGTDRGWQIBDC-IHRRRGAJSA-N 1 0 249.398 3.650 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2)s1 ZINC000037797645 384016130 /nfs/dbraw/zinc/01/61/30/384016130.db2.gz QKEUBMKSOFJGHJ-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2)s1 ZINC000037797646 384016775 /nfs/dbraw/zinc/01/67/75/384016775.db2.gz QKEUBMKSOFJGHJ-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccccc2)c1 ZINC000037854436 387906679 /nfs/dbraw/zinc/90/66/79/387906679.db2.gz QQJNHWGFFXXXCN-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccccc2)c1C ZINC000037854437 179096388 /nfs/dbraw/zinc/09/63/88/179096388.db2.gz ZHUIUHPPFFXZHP-UHFFFAOYSA-N 1 0 225.335 3.593 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C2CCCCC2)c1 ZINC000037854438 387905796 /nfs/dbraw/zinc/90/57/96/387905796.db2.gz JDYVHHHWIZQQRS-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1cccc(C[NH2+]C2CCCCC2)c1C ZINC000037854439 179089691 /nfs/dbraw/zinc/08/96/91/179089691.db2.gz YOOWPDOIYBAMOS-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2cccs2)c1 ZINC000037854452 384028972 /nfs/dbraw/zinc/02/89/72/384028972.db2.gz HCIIQBMAPJIRTA-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccs2)c1C ZINC000037854453 179096690 /nfs/dbraw/zinc/09/66/90/179096690.db2.gz HOFGYEZYWVPACY-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000037854481 324579408 /nfs/dbraw/zinc/57/94/08/324579408.db2.gz VVUAFILIZSLVGD-INIZCTEOSA-N 1 0 239.362 3.970 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000037854482 324579026 /nfs/dbraw/zinc/57/90/26/324579026.db2.gz VVUAFILIZSLVGD-MRXNPFEDSA-N 1 0 239.362 3.970 20 0 BHADRO Cc1ccccc1CC[NH2+]C1CCCCCC1 ZINC000037854528 358096044 /nfs/dbraw/zinc/09/60/44/358096044.db2.gz XXADGBBQSFQSFA-UHFFFAOYSA-N 1 0 231.383 3.850 20 0 BHADRO c1csc(C[NH2+]CCSc2ccccc2)c1 ZINC000037854574 188082622 /nfs/dbraw/zinc/08/26/22/188082622.db2.gz MUPPIJPDSFUQNG-UHFFFAOYSA-N 1 0 249.404 3.630 20 0 BHADRO CC1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000037854577 358095641 /nfs/dbraw/zinc/09/56/41/358095641.db2.gz ZUAFEWPSFXVKIB-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO c1ccc(SCC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000037854600 323371189 /nfs/dbraw/zinc/37/11/89/323371189.db2.gz VZINXISBWNTTNK-AWEZNQCLSA-N 1 0 247.407 3.725 20 0 BHADRO c1ccc(SCC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000037854601 323371464 /nfs/dbraw/zinc/37/14/64/323371464.db2.gz VZINXISBWNTTNK-CQSZACIVSA-N 1 0 247.407 3.725 20 0 BHADRO c1ccc(SCC[NH2+]C2CCCCC2)cc1 ZINC000037854604 324579510 /nfs/dbraw/zinc/57/95/10/324579510.db2.gz ZDAJXYNAAXYMGI-UHFFFAOYSA-N 1 0 235.396 3.701 20 0 BHADRO c1cc(C[NH2+]CCSc2ccccc2)cs1 ZINC000037854631 187392375 /nfs/dbraw/zinc/39/23/75/187392375.db2.gz QOCFCQKEQMSAQK-UHFFFAOYSA-N 1 0 249.404 3.630 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000037854650 388649199 /nfs/dbraw/zinc/64/91/99/388649199.db2.gz OKYKSVYGICARFC-KGLIPLIRSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000037854651 388649272 /nfs/dbraw/zinc/64/92/72/388649272.db2.gz OKYKSVYGICARFC-KBPBESRZSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000037854652 388649554 /nfs/dbraw/zinc/64/95/54/388649554.db2.gz OKYKSVYGICARFC-ZIAGYGMSSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000037854653 324579256 /nfs/dbraw/zinc/57/92/56/324579256.db2.gz OKYKSVYGICARFC-UONOGXRCSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000037854691 324579562 /nfs/dbraw/zinc/57/95/62/324579562.db2.gz HELVOKQWDYQBEB-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO CC[C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000037854692 388649767 /nfs/dbraw/zinc/64/97/67/388649767.db2.gz HELVOKQWDYQBEB-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000037854693 712773074 /nfs/dbraw/zinc/77/30/74/712773074.db2.gz BTJZJQABCGQBJA-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000037854694 711481069 /nfs/dbraw/zinc/48/10/69/711481069.db2.gz BTJZJQABCGQBJA-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO CCCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000037854943 712773426 /nfs/dbraw/zinc/77/34/26/712773426.db2.gz NOWXMWLRFFYWDP-CYBMUJFWSA-N 1 0 205.345 3.570 20 0 BHADRO CCCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000037854944 712772873 /nfs/dbraw/zinc/77/28/73/712772873.db2.gz NOWXMWLRFFYWDP-ZDUSSCGKSA-N 1 0 205.345 3.570 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C2CCCCC2)c1 ZINC000037855248 177899026 /nfs/dbraw/zinc/89/90/26/177899026.db2.gz LVUNAOJUXMNIRV-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1cccc(OCCC[NH2+]C2CCCCC2)c1 ZINC000037855249 179164559 /nfs/dbraw/zinc/16/45/59/179164559.db2.gz WYNXDSRYXCXRFQ-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO c1ccc(OCCC[NH2+]C2CCCCCC2)cc1 ZINC000037855309 387449136 /nfs/dbraw/zinc/44/91/36/387449136.db2.gz RDYUVTOZSNBNIM-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2cccs2)c1 ZINC000037855324 187261416 /nfs/dbraw/zinc/26/14/16/187261416.db2.gz ZDABNOLXDKCGMW-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC(C)(C)CC[NH2+]CCSc1ccccc1 ZINC000037855462 323372138 /nfs/dbraw/zinc/37/21/38/323372138.db2.gz LRDHBHJCWGIRJJ-UHFFFAOYSA-N 1 0 237.412 3.805 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCCCC2)cc1F ZINC000037855533 387910237 /nfs/dbraw/zinc/91/02/37/387910237.db2.gz YJQMHERATLNVNR-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCCC2)cc1F ZINC000037855535 387909864 /nfs/dbraw/zinc/90/98/64/387909864.db2.gz UDRSSVJLFLRWNR-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO c1csc(C[NH2+]CCCCc2ccccc2)c1 ZINC000037855648 538964142 /nfs/dbraw/zinc/96/41/42/538964142.db2.gz MDKVYCIOMWBGGS-UHFFFAOYSA-N 1 0 245.391 3.861 20 0 BHADRO c1ccc(CCCC[NH2+]C2CCCC2)cc1 ZINC000037855651 538964045 /nfs/dbraw/zinc/96/40/45/538964045.db2.gz VTWWQYONMXBTFM-UHFFFAOYSA-N 1 0 217.356 3.542 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCCC1 ZINC000037860271 388649151 /nfs/dbraw/zinc/64/91/51/388649151.db2.gz XPLQRRQJNZBUTO-CQSZACIVSA-N 1 0 229.367 3.639 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCCC1 ZINC000037860272 388649147 /nfs/dbraw/zinc/64/91/47/388649147.db2.gz XPLQRRQJNZBUTO-AWEZNQCLSA-N 1 0 229.367 3.639 20 0 BHADRO c1ccc(C[NH2+]CCCC2CCCC2)cc1 ZINC000037860337 323371874 /nfs/dbraw/zinc/37/18/74/323371874.db2.gz TTZNCJLXXPRGCS-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO c1csc(C[NH2+]CCCC2CCCC2)c1 ZINC000037860338 323372116 /nfs/dbraw/zinc/37/21/16/323372116.db2.gz WSNBPBFCHVSRCN-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO C(C[NH2+]C1CCCCC1)CC1CCCC1 ZINC000037860341 323372045 /nfs/dbraw/zinc/37/20/45/323372045.db2.gz ZOBDQLHUPWNPIA-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000037860360 179282135 /nfs/dbraw/zinc/28/21/35/179282135.db2.gz XPUZUZCCZJXKQS-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Fc1cc(F)cc(C[NH2+]C2CCCCCC2)c1 ZINC000037863402 363897690 /nfs/dbraw/zinc/89/76/90/363897690.db2.gz YCQSZMRUVYNCFI-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO c1cc(CC[NH2+]C2CCCCCC2)cs1 ZINC000037863409 183338434 /nfs/dbraw/zinc/33/84/34/183338434.db2.gz XOGRSAKGIXKPAZ-UHFFFAOYSA-N 1 0 223.385 3.603 20 0 BHADRO c1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000037863411 388722256 /nfs/dbraw/zinc/72/22/56/388722256.db2.gz MUQJFPMXEMRVGG-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO C(CC1CCCCC1)[NH2+]C1CCCCC1 ZINC000037863416 187942292 /nfs/dbraw/zinc/94/22/92/187942292.db2.gz GHMJGQPYHORYHA-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CC(C)(C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000037864144 324580660 /nfs/dbraw/zinc/58/06/60/324580660.db2.gz WXCZQMLPBSKQCR-UHFFFAOYSA-N 1 0 239.362 3.754 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)c2ccccc2)o1 ZINC000037864161 388649846 /nfs/dbraw/zinc/64/98/46/388649846.db2.gz ZCYQGQLEBIXQFS-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000037864163 388649291 /nfs/dbraw/zinc/64/92/91/388649291.db2.gz IFAZCHDMMWMKJB-HNNXBMFYSA-N 1 0 243.394 3.910 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000037864164 388649061 /nfs/dbraw/zinc/64/90/61/388649061.db2.gz IFAZCHDMMWMKJB-OAHLLOKOSA-N 1 0 243.394 3.910 20 0 BHADRO CC(C)(C[NH2+]Cc1cccs1)c1ccccc1 ZINC000037864168 388649441 /nfs/dbraw/zinc/64/94/41/388649441.db2.gz LOBZDWVKFPPEQH-UHFFFAOYSA-N 1 0 245.391 3.816 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)c1ccccc1 ZINC000037864172 398335052 /nfs/dbraw/zinc/33/50/52/398335052.db2.gz WUSNJEPNRMQUGQ-UHFFFAOYSA-N 1 0 233.399 3.990 20 0 BHADRO CC(C)(C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000037864175 388649241 /nfs/dbraw/zinc/64/92/41/388649241.db2.gz ZMPJOMUOGKNRJH-UHFFFAOYSA-N 1 0 245.391 3.816 20 0 BHADRO CC(C)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000037864189 398023493 /nfs/dbraw/zinc/02/34/93/398023493.db2.gz AUYPJEAFANYFHR-UHFFFAOYSA-N 1 0 219.372 3.600 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)c1ccccc1 ZINC000037864202 324580448 /nfs/dbraw/zinc/58/04/48/324580448.db2.gz SKWIZFAOKZZHHQ-UHFFFAOYSA-N 1 0 231.383 3.887 20 0 BHADRO C(C[NH2+]C1CCCC1)CC1CCCCC1 ZINC000037864224 712777540 /nfs/dbraw/zinc/77/75/40/712777540.db2.gz ZUFUSAXVGRSQDA-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CC(C)C[NH2+]CCc1cccc2ccccc21 ZINC000037864226 357389673 /nfs/dbraw/zinc/38/96/73/357389673.db2.gz PMNOXESUEJHIKH-UHFFFAOYSA-N 1 0 227.351 3.628 20 0 BHADRO CCCC[NH2+]CCc1cccc2ccccc21 ZINC000037864228 712777583 /nfs/dbraw/zinc/77/75/83/712777583.db2.gz QYGXMFKVBIFRRM-UHFFFAOYSA-N 1 0 227.351 3.772 20 0 BHADRO c1ccc2c(c1)cccc2CC[NH2+]C1CCCC1 ZINC000037864230 388649812 /nfs/dbraw/zinc/64/98/12/388649812.db2.gz CHKOKDJINUPVAF-UHFFFAOYSA-N 1 0 239.362 3.915 20 0 BHADRO CC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000037864776 170144134 /nfs/dbraw/zinc/14/41/34/170144134.db2.gz UALWNHSRZQGPRW-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000037864777 170161629 /nfs/dbraw/zinc/16/16/29/170161629.db2.gz UALWNHSRZQGPRW-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO COc1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000037865184 324580272 /nfs/dbraw/zinc/58/02/72/324580272.db2.gz UCGPDHVVIKBDIP-UHFFFAOYSA-N 1 0 247.382 3.550 20 0 BHADRO CCC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000037870666 324580579 /nfs/dbraw/zinc/58/05/79/324580579.db2.gz MJCWHSWTQRRZMN-HNNXBMFYSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000037870667 324580128 /nfs/dbraw/zinc/58/01/28/324580128.db2.gz MJCWHSWTQRRZMN-OAHLLOKOSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000037870682 357390130 /nfs/dbraw/zinc/39/01/30/357390130.db2.gz NCXYPUCYXXKAHH-HNNXBMFYSA-N 1 0 219.372 3.788 20 0 BHADRO CCC[NH2+][C@H](CCC)CCc1ccccc1 ZINC000037870683 357389893 /nfs/dbraw/zinc/38/98/93/357389893.db2.gz NCXYPUCYXXKAHH-OAHLLOKOSA-N 1 0 219.372 3.788 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccccc2C)s1 ZINC000037871763 712778341 /nfs/dbraw/zinc/77/83/41/712778341.db2.gz GYRRZIXUSVFMIS-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000037871788 179096397 /nfs/dbraw/zinc/09/63/97/179096397.db2.gz UFWDFDAZUNEKFQ-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cccc(C)c2)s1 ZINC000037871847 712778164 /nfs/dbraw/zinc/77/81/64/712778164.db2.gz IOQGSMLDAIHKSN-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO c1coc(C[NH2+]CCCC2CCCCC2)c1 ZINC000037897504 384036742 /nfs/dbraw/zinc/03/67/42/384036742.db2.gz FMLLTZHSEXMIIK-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037903977 324582548 /nfs/dbraw/zinc/58/25/48/324582548.db2.gz GRPBUKVNPFPTGW-GFCCVEGCSA-N 1 0 223.385 3.557 20 0 BHADRO CCC[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037903978 388649731 /nfs/dbraw/zinc/64/97/31/388649731.db2.gz GRPBUKVNPFPTGW-LBPRGKRZSA-N 1 0 223.385 3.557 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037904025 388649618 /nfs/dbraw/zinc/64/96/18/388649618.db2.gz MKAHMURZUVGXMO-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904026 388649497 /nfs/dbraw/zinc/64/94/97/388649497.db2.gz MKAHMURZUVGXMO-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO CCC(CC)[NH2+]CCSc1ccccc1 ZINC000037904044 168388754 /nfs/dbraw/zinc/38/87/54/168388754.db2.gz WZKLQDDGBGCMLC-UHFFFAOYSA-N 1 0 223.385 3.557 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)c1ccco1 ZINC000037904047 387567713 /nfs/dbraw/zinc/56/77/13/387567713.db2.gz HMQDVYCLGQVUNB-LBPRGKRZSA-N 1 0 247.363 3.723 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccco1 ZINC000037904048 387567887 /nfs/dbraw/zinc/56/78/87/387567887.db2.gz HMQDVYCLGQVUNB-GFCCVEGCSA-N 1 0 247.363 3.723 20 0 BHADRO c1ccc(SCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000037904049 358097635 /nfs/dbraw/zinc/09/76/35/358097635.db2.gz WAQPPMSPNNJBOZ-UHFFFAOYSA-N 1 0 247.407 3.557 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037904117 324582483 /nfs/dbraw/zinc/58/24/83/324582483.db2.gz RXLMBHFSHWIUTR-CHWSQXEVSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037904118 388649702 /nfs/dbraw/zinc/64/97/02/388649702.db2.gz RXLMBHFSHWIUTR-QWHCGFSZSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904119 324581974 /nfs/dbraw/zinc/58/19/74/324581974.db2.gz RXLMBHFSHWIUTR-OLZOCXBDSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904120 388649308 /nfs/dbraw/zinc/64/93/08/388649308.db2.gz RXLMBHFSHWIUTR-STQMWFEESA-N 1 0 237.412 3.803 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)C1(C)CC1 ZINC000037904134 176851612 /nfs/dbraw/zinc/85/16/12/176851612.db2.gz FMPWMPNBOFCUDA-LBPRGKRZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)C1(C)CC1 ZINC000037904135 387568439 /nfs/dbraw/zinc/56/84/39/387568439.db2.gz FMPWMPNBOFCUDA-GFCCVEGCSA-N 1 0 235.396 3.557 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037904210 388649311 /nfs/dbraw/zinc/64/93/11/388649311.db2.gz OUXNRZHFQCCPLO-CYBMUJFWSA-N 1 0 237.412 3.947 20 0 BHADRO CCCC[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904211 388649041 /nfs/dbraw/zinc/64/90/41/388649041.db2.gz OUXNRZHFQCCPLO-ZDUSSCGKSA-N 1 0 237.412 3.947 20 0 BHADRO CC[C@H]([NH2+]CCSc1ccccc1)C(C)C ZINC000037904212 324582480 /nfs/dbraw/zinc/58/24/80/324582480.db2.gz LUKIELQUFVDPSI-AWEZNQCLSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@@H]([NH2+]CCSc1ccccc1)C(C)C ZINC000037904213 388649940 /nfs/dbraw/zinc/64/99/40/388649940.db2.gz LUKIELQUFVDPSI-CQSZACIVSA-N 1 0 237.412 3.803 20 0 BHADRO Cc1cccc(NCCSc2ccccc2)[nH+]1 ZINC000037904403 188157020 /nfs/dbraw/zinc/15/70/20/188157020.db2.gz VUHKCLKUWLRPNB-UHFFFAOYSA-N 1 0 244.363 3.594 20 0 BHADRO CCC1CCC(C[NH2+]C2CCCC2)CC1 ZINC000037905054 712785713 /nfs/dbraw/zinc/78/57/13/712785713.db2.gz HVSRNVMDGOKSAJ-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000037905064 358479966 /nfs/dbraw/zinc/47/99/66/358479966.db2.gz KYJIQNXXLLSXDS-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO CCC1CCC(C[NH2+]Cc2ccc(C)o2)CC1 ZINC000037905066 363898523 /nfs/dbraw/zinc/89/85/23/363898523.db2.gz LTNHSPFMZXKSCX-UHFFFAOYSA-N 1 0 235.371 3.894 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000037905088 363898667 /nfs/dbraw/zinc/89/86/67/363898667.db2.gz NJNWJGLAHIBKHZ-NFOMZHRRSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000037905089 363898840 /nfs/dbraw/zinc/89/88/40/363898840.db2.gz NJNWJGLAHIBKHZ-WLYUNCDWSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000037905130 363898969 /nfs/dbraw/zinc/89/89/69/363898969.db2.gz RGXCANUIJTUKQE-NFOMZHRRSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000037905131 363898677 /nfs/dbraw/zinc/89/86/77/363898677.db2.gz RGXCANUIJTUKQE-WLYUNCDWSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000037905132 168514212 /nfs/dbraw/zinc/51/42/12/168514212.db2.gz JHVSHMNIMVDKHH-NFOMZHRRSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000037905133 363898767 /nfs/dbraw/zinc/89/87/67/363898767.db2.gz JHVSHMNIMVDKHH-WLYUNCDWSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)C2CC2)CC1 ZINC000037905156 324582053 /nfs/dbraw/zinc/58/20/53/324582053.db2.gz YDRRJJUBJDFKKF-HIFPTAJRSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)C2CC2)CC1 ZINC000037905157 388649479 /nfs/dbraw/zinc/64/94/79/388649479.db2.gz YDRRJJUBJDFKKF-PNESKVBLSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1CCC(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000037905194 363898774 /nfs/dbraw/zinc/89/87/74/363898774.db2.gz RKWJEEGQRMSRSC-UHFFFAOYSA-N 1 0 247.382 3.698 20 0 BHADRO CCC1CCC(C[NH2+]C2CCSCC2)CC1 ZINC000037905243 712785467 /nfs/dbraw/zinc/78/54/67/712785467.db2.gz GNWUZLSYAVUGFV-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000037914579 358480015 /nfs/dbraw/zinc/48/00/15/358480015.db2.gz FBNOTAJZKIGRIM-OAHLLOKOSA-N 1 0 245.366 3.524 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000037914580 358479942 /nfs/dbraw/zinc/47/99/42/358479942.db2.gz FBNOTAJZKIGRIM-HNNXBMFYSA-N 1 0 245.366 3.524 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2)s1 ZINC000037923646 172018633 /nfs/dbraw/zinc/01/86/33/172018633.db2.gz LECKICTUGBUHFE-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)c2ccccc2)s1 ZINC000037923647 172020951 /nfs/dbraw/zinc/02/09/51/172020951.db2.gz LECKICTUGBUHFE-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ncc(C[NH2+]C2CCCCCC2)s1 ZINC000037923840 172019643 /nfs/dbraw/zinc/01/96/43/172019643.db2.gz XGLJLCZVIRVYML-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)CCC(C)C)s1 ZINC000037923843 172018221 /nfs/dbraw/zinc/01/82/21/172018221.db2.gz AQDCGYPLJRBZEO-NSHDSACASA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)CCC(C)C)s1 ZINC000037923844 172020347 /nfs/dbraw/zinc/02/03/47/172020347.db2.gz AQDCGYPLJRBZEO-LLVKDONJSA-N 1 0 240.416 3.620 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnc(CC)s1 ZINC000037924058 711480965 /nfs/dbraw/zinc/48/09/65/711480965.db2.gz PUBIUGSCHHGTDN-LLVKDONJSA-N 1 0 240.416 3.764 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnc(CC)s1 ZINC000037924059 712787578 /nfs/dbraw/zinc/78/75/78/712787578.db2.gz PUBIUGSCHHGTDN-NSHDSACASA-N 1 0 240.416 3.764 20 0 BHADRO CC(C)C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000037927229 167008678 /nfs/dbraw/zinc/00/86/78/167008678.db2.gz LFOKZBRVLYBISG-UHFFFAOYSA-N 1 0 232.154 3.739 20 0 BHADRO CC(C)C[NH2+]CCc1ccc2ccccc2c1 ZINC000037927252 167005300 /nfs/dbraw/zinc/00/53/00/167005300.db2.gz ABPGOHQVQBETKX-UHFFFAOYSA-N 1 0 227.351 3.628 20 0 BHADRO c1c(C[NH2+]C2CCCC2)sc2c1CCCC2 ZINC000037927312 358098079 /nfs/dbraw/zinc/09/80/79/358098079.db2.gz LELFSPAHBDBRHY-UHFFFAOYSA-N 1 0 235.396 3.659 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000037927313 712788083 /nfs/dbraw/zinc/78/80/83/712788083.db2.gz IWBKBGMKXWQAPY-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO c1ccc2cc(CC[NH2+]C3CCCC3)ccc2c1 ZINC000037927339 712788031 /nfs/dbraw/zinc/78/80/31/712788031.db2.gz YWQWJGMLZOMALM-UHFFFAOYSA-N 1 0 239.362 3.915 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]C1CCCC1 ZINC000037927340 343011319 /nfs/dbraw/zinc/01/13/19/343011319.db2.gz JZNHDSZDHVDWOP-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000037927362 357408966 /nfs/dbraw/zinc/40/89/66/357408966.db2.gz FZBQWWLFGCDBFE-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO COc1ccc(CCC[NH2+]C2CCCCC2)cc1 ZINC000037927379 175089156 /nfs/dbraw/zinc/08/91/56/175089156.db2.gz VKOGUGRAIAKBEY-UHFFFAOYSA-N 1 0 247.382 3.550 20 0 BHADRO Clc1ccccc1CC[NH2+]C1CCCCC1 ZINC000037927382 357408973 /nfs/dbraw/zinc/40/89/73/357408973.db2.gz NUFZHIIGBULKOV-UHFFFAOYSA-N 1 0 237.774 3.805 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]C1CCCCC1 ZINC000037927384 363898633 /nfs/dbraw/zinc/89/86/33/363898633.db2.gz QRAJUDVOIJZTPT-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCC2)c(C)o1 ZINC000037927410 712788006 /nfs/dbraw/zinc/78/80/06/712788006.db2.gz GTPVDJNKAAYGAO-UHFFFAOYSA-N 1 0 221.344 3.709 20 0 BHADRO COc1cc(C[NH2+]C2CCCCCC2)ccc1C ZINC000037927417 174983384 /nfs/dbraw/zinc/98/33/84/174983384.db2.gz KTVAVVJUMDSAEY-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO c1coc(CCC[NH2+]C2CCCCCC2)c1 ZINC000037927419 487635251 /nfs/dbraw/zinc/63/52/51/487635251.db2.gz NKUXZMNPRIWIRH-UHFFFAOYSA-N 1 0 221.344 3.525 20 0 BHADRO CN(C)c1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000037927421 363899561 /nfs/dbraw/zinc/89/95/61/363899561.db2.gz QZXJZPBVQRJMIO-UHFFFAOYSA-N 1 0 246.398 3.565 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000037927422 358098352 /nfs/dbraw/zinc/09/83/52/358098352.db2.gz KHEDMMMZFRZTHV-UHFFFAOYSA-N 1 0 231.383 3.850 20 0 BHADRO c1coc(C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000037927546 346262456 /nfs/dbraw/zinc/26/24/56/346262456.db2.gz LDLRBMBADVSRAA-UHFFFAOYSA-N 1 0 247.363 3.510 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000037927696 357408982 /nfs/dbraw/zinc/40/89/82/357408982.db2.gz TWJNLCTUNZSSFH-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]Cc1ccccc1 ZINC000037927716 363899200 /nfs/dbraw/zinc/89/92/00/363899200.db2.gz IZQVFXKOBOTKPR-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934712 388650262 /nfs/dbraw/zinc/65/02/62/388650262.db2.gz GWBSQZYLEOFFCA-CYBMUJFWSA-N 1 0 219.372 3.742 20 0 BHADRO CCC[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934713 324583015 /nfs/dbraw/zinc/58/30/15/324583015.db2.gz GWBSQZYLEOFFCA-ZDUSSCGKSA-N 1 0 219.372 3.742 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934754 324583586 /nfs/dbraw/zinc/58/35/86/324583586.db2.gz MRAUMZDGMVEHKT-CYBMUJFWSA-N 1 0 219.372 3.598 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934755 324583329 /nfs/dbraw/zinc/58/33/29/324583329.db2.gz MRAUMZDGMVEHKT-ZDUSSCGKSA-N 1 0 219.372 3.598 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934764 188289495 /nfs/dbraw/zinc/28/94/95/188289495.db2.gz ASMCHIJDUXEBDL-CQSZACIVSA-N 1 0 233.399 3.988 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934765 351376978 /nfs/dbraw/zinc/37/69/78/351376978.db2.gz ASMCHIJDUXEBDL-AWEZNQCLSA-N 1 0 233.399 3.988 20 0 BHADRO CCC(CC)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934776 324583633 /nfs/dbraw/zinc/58/36/33/324583633.db2.gz GLESNZBCROIKBM-UHFFFAOYSA-N 1 0 219.372 3.742 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1ccco1 ZINC000037934781 387064962 /nfs/dbraw/zinc/06/49/62/387064962.db2.gz OBOGIASXYBIWAA-ZDUSSCGKSA-N 1 0 243.350 3.908 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccco1 ZINC000037934782 387065691 /nfs/dbraw/zinc/06/56/91/387065691.db2.gz OBOGIASXYBIWAA-CYBMUJFWSA-N 1 0 243.350 3.908 20 0 BHADRO CC(C)(C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000037934783 538964293 /nfs/dbraw/zinc/96/42/93/538964293.db2.gz SVMQKNUIVFVTOR-UHFFFAOYSA-N 1 0 243.394 3.742 20 0 BHADRO CCCCC[NH2+]CC(C)(C)c1ccccc1 ZINC000037934817 538964035 /nfs/dbraw/zinc/96/40/35/538964035.db2.gz GYQZSDLHYTZYDE-UHFFFAOYSA-N 1 0 219.372 3.744 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000037934828 324583709 /nfs/dbraw/zinc/58/37/09/324583709.db2.gz NONNYZOVLSUMSY-CYBMUJFWSA-N 1 0 219.372 3.600 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000037934829 388650513 /nfs/dbraw/zinc/65/05/13/388650513.db2.gz NONNYZOVLSUMSY-ZDUSSCGKSA-N 1 0 219.372 3.600 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)C1(C)CC1 ZINC000037934835 388650966 /nfs/dbraw/zinc/65/09/66/388650966.db2.gz KWAHUEGLWBNBJO-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)C1(C)CC1 ZINC000037934836 388651203 /nfs/dbraw/zinc/65/12/03/388651203.db2.gz KWAHUEGLWBNBJO-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO CCC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000037948051 169278015 /nfs/dbraw/zinc/27/80/15/169278015.db2.gz GSIVYDRXMAAMSH-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000037948052 169288939 /nfs/dbraw/zinc/28/89/39/169288939.db2.gz GSIVYDRXMAAMSH-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CC[NH2+][C@@H](CCc1ccc(Cl)cc1)C(C)C ZINC000037949007 384045783 /nfs/dbraw/zinc/04/57/83/384045783.db2.gz BHUBMYXPAAKDPF-AWEZNQCLSA-N 1 0 239.790 3.907 20 0 BHADRO CC[NH2+][C@H](CCc1ccc(Cl)cc1)C(C)C ZINC000037949008 388651087 /nfs/dbraw/zinc/65/10/87/388651087.db2.gz BHUBMYXPAAKDPF-CQSZACIVSA-N 1 0 239.790 3.907 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCc2ccccc2)c1 ZINC000037978561 388651245 /nfs/dbraw/zinc/65/12/45/388651245.db2.gz HIEJOGWLIHLDCM-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978629 169370789 /nfs/dbraw/zinc/37/07/89/169370789.db2.gz QKDDSOCPNODTGB-CYBMUJFWSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978630 538964534 /nfs/dbraw/zinc/96/45/34/538964534.db2.gz QKDDSOCPNODTGB-ZDUSSCGKSA-N 1 0 205.345 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000037978635 712793649 /nfs/dbraw/zinc/79/36/49/712793649.db2.gz PHUCIDNUWVQACN-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1 ZINC000037978645 363899306 /nfs/dbraw/zinc/89/93/06/363899306.db2.gz HYVCDNWPVYLKNS-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2ccccc2F)c1 ZINC000037978653 188177542 /nfs/dbraw/zinc/17/75/42/188177542.db2.gz QWIPJUILUBLNHO-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000037978966 343363472 /nfs/dbraw/zinc/36/34/72/343363472.db2.gz LNJRKYSREVISOJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccccn2)c1 ZINC000037978967 343363759 /nfs/dbraw/zinc/36/37/59/343363759.db2.gz LNJRKYSREVISOJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000037978968 188116027 /nfs/dbraw/zinc/11/60/27/188116027.db2.gz YCUMSVWJDFAKPL-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccncc2)c1 ZINC000037978969 538964686 /nfs/dbraw/zinc/96/46/86/538964686.db2.gz YCUMSVWJDFAKPL-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2ccccc2C)c1 ZINC000037979047 363899359 /nfs/dbraw/zinc/89/93/59/363899359.db2.gz ONEBHTQGFQWWMK-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCc2cccs2)c1 ZINC000037979049 363898701 /nfs/dbraw/zinc/89/87/01/363898701.db2.gz HXHHKHPRNDQWJE-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000037979112 188290167 /nfs/dbraw/zinc/29/01/67/188290167.db2.gz XFCAKUMBAWVQLH-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000037979113 538964857 /nfs/dbraw/zinc/96/48/57/538964857.db2.gz XFCAKUMBAWVQLH-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccnc2)c1 ZINC000037979116 343363830 /nfs/dbraw/zinc/36/38/30/343363830.db2.gz KPQZWJZOICHKIY-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2cccnc2)c1 ZINC000037979117 343363772 /nfs/dbraw/zinc/36/37/72/343363772.db2.gz KPQZWJZOICHKIY-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000037979119 386112204 /nfs/dbraw/zinc/11/22/04/386112204.db2.gz CDPUOXFCJUSPOI-LLVKDONJSA-N 1 0 209.333 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000037979120 386110054 /nfs/dbraw/zinc/11/00/54/386110054.db2.gz CDPUOXFCJUSPOI-NSHDSACASA-N 1 0 209.333 3.675 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)C)c1 ZINC000037984959 179089737 /nfs/dbraw/zinc/08/97/37/179089737.db2.gz GCVVJZHQXSBRPX-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO CSc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000037984961 343363633 /nfs/dbraw/zinc/36/36/33/343363633.db2.gz XBJGLVGFGZALJI-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000037984964 350295479 /nfs/dbraw/zinc/29/54/79/350295479.db2.gz QURMUKUDETUGQY-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO Cc1ccccc1C[NH2+]CCCC(C)C ZINC000037984965 179281416 /nfs/dbraw/zinc/28/14/16/179281416.db2.gz XRLNBQBXOPBPGT-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO CCOc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000037984972 350295638 /nfs/dbraw/zinc/29/56/38/350295638.db2.gz NRCXBJAYYHSAED-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCOc1ccccc1C[NH2+]CCCC(C)C ZINC000037984973 350295217 /nfs/dbraw/zinc/29/52/17/350295217.db2.gz PRTLCPXFYUKOEZ-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000037984978 386107571 /nfs/dbraw/zinc/10/75/71/386107571.db2.gz NLWZCOCNFPPDEM-UHFFFAOYSA-N 1 0 225.763 3.866 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000037985003 386108699 /nfs/dbraw/zinc/10/86/99/386108699.db2.gz OMGRDRIHHNKOAG-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)C)c(C)c1 ZINC000037985004 350295757 /nfs/dbraw/zinc/29/57/57/350295757.db2.gz KVVVTWCTAGBLJN-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)C)cc(C)c1O ZINC000037985008 178020550 /nfs/dbraw/zinc/02/05/50/178020550.db2.gz PERWOKLCDOJCAV-UHFFFAOYSA-N 1 0 235.371 3.535 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccccc1OC(C)C ZINC000037985014 386107636 /nfs/dbraw/zinc/10/76/36/386107636.db2.gz RUGSKHZRKSJMFB-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)C)cc1C ZINC000037985016 178604390 /nfs/dbraw/zinc/60/43/90/178604390.db2.gz LIRJOXAEQWQSIS-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000037985030 386107542 /nfs/dbraw/zinc/10/75/42/386107542.db2.gz NNHSPWCWFNHVHA-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000037985031 386109011 /nfs/dbraw/zinc/10/90/11/386109011.db2.gz OHIZMYKDICWHFN-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)CCC[NH2+]CCCc1ccccc1 ZINC000037985047 386108337 /nfs/dbraw/zinc/10/83/37/386108337.db2.gz SYFXUKHWZNRKKL-UHFFFAOYSA-N 1 0 219.372 3.645 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)C)s1 ZINC000037985048 350295623 /nfs/dbraw/zinc/29/56/23/350295623.db2.gz HETQVFPNWVUYPV-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000037985050 386107459 /nfs/dbraw/zinc/10/74/59/386107459.db2.gz HNLFTIIGOHTZFS-CQSZACIVSA-N 1 0 219.372 3.816 20 0 BHADRO CC(C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000037985051 386108961 /nfs/dbraw/zinc/10/89/61/386108961.db2.gz HNLFTIIGOHTZFS-AWEZNQCLSA-N 1 0 219.372 3.816 20 0 BHADRO Cc1ccsc1C[NH2+]CCCC(C)C ZINC000037985053 179547803 /nfs/dbraw/zinc/54/78/03/179547803.db2.gz GBFYTJSQZDOVOU-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000037985073 166815254 /nfs/dbraw/zinc/81/52/54/166815254.db2.gz FVRAQDYPQVPZDC-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCCC(C)C ZINC000037985092 175076369 /nfs/dbraw/zinc/07/63/69/175076369.db2.gz UCZIDTSJPMEPLK-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CCC1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000037988539 348023715 /nfs/dbraw/zinc/02/37/15/348023715.db2.gz NULNYYWQKASZOV-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+]C2CCCCCCC2)n1 ZINC000037988542 179775985 /nfs/dbraw/zinc/77/59/85/179775985.db2.gz MZVVVXWRGTVRRO-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000037989611 388651052 /nfs/dbraw/zinc/65/10/52/388651052.db2.gz QKKGQVCJYGQMMV-LBPRGKRZSA-N 1 0 223.335 3.913 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000037989612 388650342 /nfs/dbraw/zinc/65/03/42/388650342.db2.gz QKKGQVCJYGQMMV-GFCCVEGCSA-N 1 0 223.335 3.913 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000037989625 388650708 /nfs/dbraw/zinc/65/07/08/388650708.db2.gz WGNRBZQGMBZOBZ-ZDUSSCGKSA-N 1 0 205.345 3.773 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000037989626 388651297 /nfs/dbraw/zinc/65/12/97/388651297.db2.gz WGNRBZQGMBZOBZ-CYBMUJFWSA-N 1 0 205.345 3.773 20 0 BHADRO CCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000037992997 388651098 /nfs/dbraw/zinc/65/10/98/388651098.db2.gz CSMKYLKGOACCQO-AWEZNQCLSA-N 1 0 237.774 3.661 20 0 BHADRO CCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000037992998 324584542 /nfs/dbraw/zinc/58/45/42/324584542.db2.gz CSMKYLKGOACCQO-CQSZACIVSA-N 1 0 237.774 3.661 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)CCC)c1 ZINC000037996721 169325302 /nfs/dbraw/zinc/32/53/02/169325302.db2.gz YQHKVQYSLIIHPE-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)CCC)c1 ZINC000037996722 169325455 /nfs/dbraw/zinc/32/54/55/169325455.db2.gz YQHKVQYSLIIHPE-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+]C(CC)CC)c1 ZINC000037996729 169325435 /nfs/dbraw/zinc/32/54/35/169325435.db2.gz OKNCJXPKCGBGJM-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCOc1cccc(C[NH2+]CCCC(C)C)c1 ZINC000037996840 363899050 /nfs/dbraw/zinc/89/90/50/363899050.db2.gz RRXNZTKJQXQKTG-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037996843 388650267 /nfs/dbraw/zinc/65/02/67/388650267.db2.gz FUJARLDYTAKFRD-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1cccc(C[NH2+]CC2CCCC2)c1 ZINC000037996860 169324898 /nfs/dbraw/zinc/32/48/98/169324898.db2.gz DPPBEFJDPGUPCH-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO COCc1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000037999877 174630263 /nfs/dbraw/zinc/63/02/63/174630263.db2.gz GEARRCYBLAHGRE-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000038001047 170139050 /nfs/dbraw/zinc/13/90/50/170139050.db2.gz ORIRNUVOJBUTLG-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000038001048 170156908 /nfs/dbraw/zinc/15/69/08/170156908.db2.gz ORIRNUVOJBUTLG-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO CCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000038001111 169274891 /nfs/dbraw/zinc/27/48/91/169274891.db2.gz LSMWCJJMBWEQBL-VIFPVBQESA-N 1 0 231.792 3.722 20 0 BHADRO CCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000038001112 169285975 /nfs/dbraw/zinc/28/59/75/169285975.db2.gz LSMWCJJMBWEQBL-SECBINFHSA-N 1 0 231.792 3.722 20 0 BHADRO COCc1cccc(C[NH2+]C2CCC(C)CC2)c1 ZINC000038010396 348026207 /nfs/dbraw/zinc/02/62/07/348026207.db2.gz MMPBGYWUEGPPSY-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000038010397 712798798 /nfs/dbraw/zinc/79/87/98/712798798.db2.gz ISMCYEXDMOTTDC-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000038010407 174631403 /nfs/dbraw/zinc/63/14/03/174631403.db2.gz FESRSGVPIJRELM-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000038010408 712798981 /nfs/dbraw/zinc/79/89/81/712798981.db2.gz FESRSGVPIJRELM-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000038010409 174631435 /nfs/dbraw/zinc/63/14/35/174631435.db2.gz FESRSGVPIJRELM-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000038010410 712798793 /nfs/dbraw/zinc/79/87/93/712798793.db2.gz FESRSGVPIJRELM-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000038010411 712798888 /nfs/dbraw/zinc/79/88/88/712798888.db2.gz NCPVJIGCSVOVFJ-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000038010412 174631504 /nfs/dbraw/zinc/63/15/04/174631504.db2.gz NCPVJIGCSVOVFJ-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000038010413 712798649 /nfs/dbraw/zinc/79/86/49/712798649.db2.gz NCPVJIGCSVOVFJ-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000038010414 174631092 /nfs/dbraw/zinc/63/10/92/174631092.db2.gz NCPVJIGCSVOVFJ-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CCCCCC[NH2+]Cc1cccc(COC)c1 ZINC000038010458 712798770 /nfs/dbraw/zinc/79/87/70/712798770.db2.gz ZUTQJUOHCRSPLV-UHFFFAOYSA-N 1 0 235.371 3.503 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cccc(COC)c1 ZINC000038010472 363900343 /nfs/dbraw/zinc/90/03/43/363900343.db2.gz VDNGYYNCMLAKLF-UHFFFAOYSA-N 1 0 249.398 3.891 20 0 BHADRO COCc1cccc(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000038010603 363900143 /nfs/dbraw/zinc/90/01/43/363900143.db2.gz IJDKTDKRCVHQRV-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO COCc1cccc(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000038010604 363900316 /nfs/dbraw/zinc/90/03/16/363900316.db2.gz IJDKTDKRCVHQRV-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010618 712798724 /nfs/dbraw/zinc/79/87/24/712798724.db2.gz QWXWZPDFPWGRSQ-CQSZACIVSA-N 1 0 249.398 3.891 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010619 168744160 /nfs/dbraw/zinc/74/41/60/168744160.db2.gz QWXWZPDFPWGRSQ-AWEZNQCLSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010711 168948359 /nfs/dbraw/zinc/94/83/59/168948359.db2.gz IIMKJLSXWFXFPB-CYBMUJFWSA-N 1 0 235.371 3.501 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010712 712799075 /nfs/dbraw/zinc/79/90/75/712799075.db2.gz IIMKJLSXWFXFPB-ZDUSSCGKSA-N 1 0 235.371 3.501 20 0 BHADRO c1sc(C[NH2+]C2CC2)cc1-c1ccccc1 ZINC000038030668 183382418 /nfs/dbraw/zinc/38/24/18/183382418.db2.gz JSOUKJPNEMZLRV-UHFFFAOYSA-N 1 0 229.348 3.667 20 0 BHADRO CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030675 169265764 /nfs/dbraw/zinc/26/57/64/169265764.db2.gz PVQNUNLAHRQGHQ-UHFFFAOYSA-N 1 0 231.364 3.915 20 0 BHADRO CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030677 170124080 /nfs/dbraw/zinc/12/40/80/170124080.db2.gz VSLWDOUNXFEXFR-UHFFFAOYSA-N 1 0 217.337 3.525 20 0 BHADRO CC(C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030686 167117204 /nfs/dbraw/zinc/11/72/04/167117204.db2.gz ZWHQPWBRVPARBQ-UHFFFAOYSA-N 1 0 231.364 3.913 20 0 BHADRO c1sc(C[NH2+]CC2CC2)cc1-c1ccccc1 ZINC000038030694 183382040 /nfs/dbraw/zinc/38/20/40/183382040.db2.gz JJXKYAGYFWKMJG-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000038038270 169324702 /nfs/dbraw/zinc/32/47/02/169324702.db2.gz VGGSWQWQTTWVPC-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000038038271 169324714 /nfs/dbraw/zinc/32/47/14/169324714.db2.gz VGGSWQWQTTWVPC-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038043568 358482540 /nfs/dbraw/zinc/48/25/40/358482540.db2.gz YKBRQRLLTHRTNT-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038043569 387570956 /nfs/dbraw/zinc/57/09/56/387570956.db2.gz YKBRQRLLTHRTNT-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000038043570 169512009 /nfs/dbraw/zinc/51/20/09/169512009.db2.gz YKBRQRLLTHRTNT-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000038043571 387569669 /nfs/dbraw/zinc/56/96/69/387569669.db2.gz YKBRQRLLTHRTNT-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000038051763 169268502 /nfs/dbraw/zinc/26/85/02/169268502.db2.gz ZRUQXCFYLCQDII-UHFFFAOYSA-N 1 0 225.335 3.853 20 0 BHADRO CCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000038051764 169267619 /nfs/dbraw/zinc/26/76/19/169267619.db2.gz AYMNUETZHIMICT-UHFFFAOYSA-N 1 0 225.335 3.853 20 0 BHADRO c1ccc(-c2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000038051765 183379861 /nfs/dbraw/zinc/37/98/61/183379861.db2.gz RFHXDBILRBWJKA-UHFFFAOYSA-N 1 0 223.319 3.606 20 0 BHADRO CC(C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000038051767 167118354 /nfs/dbraw/zinc/11/83/54/167118354.db2.gz FBUHENJRDMDEOD-UHFFFAOYSA-N 1 0 225.335 3.852 20 0 BHADRO CC(C)[NH2+]Cc1ccccc1-c1ccccc1 ZINC000038052018 167119458 /nfs/dbraw/zinc/11/94/58/167119458.db2.gz BEQGWYUNLZWYLK-UHFFFAOYSA-N 1 0 225.335 3.852 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000038063754 169276796 /nfs/dbraw/zinc/27/67/96/169276796.db2.gz WDHYSULNDXVJDZ-VIFPVBQESA-N 1 0 227.348 3.608 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000038063755 169286693 /nfs/dbraw/zinc/28/66/93/169286693.db2.gz WDHYSULNDXVJDZ-SECBINFHSA-N 1 0 227.348 3.608 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000038065414 357516541 /nfs/dbraw/zinc/51/65/41/357516541.db2.gz PHQPACADQLYZQL-CYBMUJFWSA-N 1 0 227.351 3.770 20 0 BHADRO CC[C@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000038065415 171341561 /nfs/dbraw/zinc/34/15/61/171341561.db2.gz PHQPACADQLYZQL-ZDUSSCGKSA-N 1 0 227.351 3.770 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000038065416 387199266 /nfs/dbraw/zinc/19/92/66/387199266.db2.gz ILGNHEHVXHKEAF-MRVPVSSYSA-N 1 0 232.154 3.882 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000038065417 171343493 /nfs/dbraw/zinc/34/34/93/171343493.db2.gz ILGNHEHVXHKEAF-QMMMGPOBSA-N 1 0 232.154 3.882 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000038065428 323382601 /nfs/dbraw/zinc/38/26/01/323382601.db2.gz GSTDFDWJWKPLQW-CHWSQXEVSA-N 1 0 205.345 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000038065429 323382698 /nfs/dbraw/zinc/38/26/98/323382698.db2.gz GSTDFDWJWKPLQW-QWHCGFSZSA-N 1 0 205.345 3.568 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](CC)c1ccccc1 ZINC000038065430 323382653 /nfs/dbraw/zinc/38/26/53/323382653.db2.gz GSTDFDWJWKPLQW-OLZOCXBDSA-N 1 0 205.345 3.568 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000038065431 323382661 /nfs/dbraw/zinc/38/26/61/323382661.db2.gz GSTDFDWJWKPLQW-STQMWFEESA-N 1 0 205.345 3.568 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000038065438 358111890 /nfs/dbraw/zinc/11/18/90/358111890.db2.gz AKVSMRVZAJRGEX-SNVBAGLBSA-N 1 0 223.385 3.515 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000038065439 358111900 /nfs/dbraw/zinc/11/19/00/358111900.db2.gz AKVSMRVZAJRGEX-JTQLQIEISA-N 1 0 223.385 3.515 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000038065478 357516453 /nfs/dbraw/zinc/51/64/53/357516453.db2.gz IQYQQHKETDVAMB-CYBMUJFWSA-N 1 0 227.351 3.770 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000038065479 171341240 /nfs/dbraw/zinc/34/12/40/171341240.db2.gz IQYQQHKETDVAMB-ZDUSSCGKSA-N 1 0 227.351 3.770 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000038069871 169275640 /nfs/dbraw/zinc/27/56/40/169275640.db2.gz YZENXFMDZPXORQ-ZDUSSCGKSA-N 1 0 240.350 3.809 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000038069872 169287180 /nfs/dbraw/zinc/28/71/80/169287180.db2.gz YZENXFMDZPXORQ-CYBMUJFWSA-N 1 0 240.350 3.809 20 0 BHADRO CC[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000038070029 170127842 /nfs/dbraw/zinc/12/78/42/170127842.db2.gz CIDIDKLXEIBFHE-UHFFFAOYSA-N 1 0 225.335 3.772 20 0 BHADRO Cc1ccc(-c2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000038070032 178326943 /nfs/dbraw/zinc/32/69/43/178326943.db2.gz UTAOPGLTNBFAKT-UHFFFAOYSA-N 1 0 237.346 3.914 20 0 BHADRO CC(C)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000038070642 167117546 /nfs/dbraw/zinc/11/75/46/167117546.db2.gz OLPGFBKNKACDCH-UHFFFAOYSA-N 1 0 243.325 3.991 20 0 BHADRO Fc1cc(-c2ccccc2)ccc1C[NH2+]C1CC1 ZINC000038070643 363900192 /nfs/dbraw/zinc/90/01/92/363900192.db2.gz VCGPBUTYFOPBCA-UHFFFAOYSA-N 1 0 241.309 3.745 20 0 BHADRO CC[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000038070693 170128635 /nfs/dbraw/zinc/12/86/35/170128635.db2.gz IPSSLEUDWUOSJJ-UHFFFAOYSA-N 1 0 225.335 3.772 20 0 BHADRO Cc1ccccc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000038070696 179237207 /nfs/dbraw/zinc/23/72/07/179237207.db2.gz NYHKSDYRVABZKV-UHFFFAOYSA-N 1 0 237.346 3.914 20 0 BHADRO CC[NH2+]Cc1ccccc1-c1ccccc1C ZINC000038070704 170128369 /nfs/dbraw/zinc/12/83/69/170128369.db2.gz HRVNYNMSRYKAHG-UHFFFAOYSA-N 1 0 225.335 3.772 20 0 BHADRO Cc1ccccc1-c1ccccc1C[NH2+]C1CC1 ZINC000038070707 179236790 /nfs/dbraw/zinc/23/67/90/179236790.db2.gz RSXGXCILINVFME-UHFFFAOYSA-N 1 0 237.346 3.914 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000038076737 187318510 /nfs/dbraw/zinc/31/85/10/187318510.db2.gz NLMFRHGIYOAZJR-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CC2CCCC2)c1 ZINC000038076740 388651851 /nfs/dbraw/zinc/65/18/51/388651851.db2.gz ZBGUSVAYHIYUQB-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1 ZINC000038076771 179093857 /nfs/dbraw/zinc/09/38/57/179093857.db2.gz PJAOEHDOSWXXCC-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000038078587 323382657 /nfs/dbraw/zinc/38/26/57/323382657.db2.gz DLZGSMOKYFYEJS-GFCCVEGCSA-N 1 0 211.736 3.647 20 0 BHADRO CC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000038078588 323382612 /nfs/dbraw/zinc/38/26/12/323382612.db2.gz DLZGSMOKYFYEJS-LBPRGKRZSA-N 1 0 211.736 3.647 20 0 BHADRO CCCC(CCC)[NH2+]Cc1nc(C)cs1 ZINC000038090575 343059723 /nfs/dbraw/zinc/05/97/23/343059723.db2.gz MCJNXLYCIYWGJL-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000038090587 358483335 /nfs/dbraw/zinc/48/33/35/358483335.db2.gz BJHSORPRYIPABV-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1nc(C)cs1 ZINC000038090588 171296989 /nfs/dbraw/zinc/29/69/89/171296989.db2.gz BJHSORPRYIPABV-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000038090589 387573654 /nfs/dbraw/zinc/57/36/54/387573654.db2.gz BJHSORPRYIPABV-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000038090590 171299184 /nfs/dbraw/zinc/29/91/84/171299184.db2.gz BJHSORPRYIPABV-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000038090681 343370170 /nfs/dbraw/zinc/37/01/70/343370170.db2.gz INWMTIPSLVSDSR-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000038090682 343370073 /nfs/dbraw/zinc/37/00/73/343370073.db2.gz INWMTIPSLVSDSR-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC000038090733 343370159 /nfs/dbraw/zinc/37/01/59/343370159.db2.gz DRIQLWWLRIFHMD-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC000038090734 343370505 /nfs/dbraw/zinc/37/05/05/343370505.db2.gz DRIQLWWLRIFHMD-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038090849 343059675 /nfs/dbraw/zinc/05/96/75/343059675.db2.gz NNESJQCQXCYMLI-SNVBAGLBSA-N 1 0 226.389 3.510 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038090850 343059679 /nfs/dbraw/zinc/05/96/79/343059679.db2.gz NNESJQCQXCYMLI-JTQLQIEISA-N 1 0 226.389 3.510 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038090902 711481703 /nfs/dbraw/zinc/48/17/03/711481703.db2.gz GUVROVDVTXMWSX-LLVKDONJSA-N 1 0 240.416 3.900 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038090903 712807440 /nfs/dbraw/zinc/80/74/40/712807440.db2.gz GUVROVDVTXMWSX-NSHDSACASA-N 1 0 240.416 3.900 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)C2CCCCC2)n1 ZINC000038091052 187392884 /nfs/dbraw/zinc/39/28/84/187392884.db2.gz TXVPWWBLQYSSGU-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)C2CCCCC2)n1 ZINC000038091053 358483319 /nfs/dbraw/zinc/48/33/19/358483319.db2.gz TXVPWWBLQYSSGU-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000038093001 188473223 /nfs/dbraw/zinc/47/32/23/188473223.db2.gz LUXYGAXIPJBCOV-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)Cc2ccco2)c1 ZINC000038093002 712807350 /nfs/dbraw/zinc/80/73/50/712807350.db2.gz LUXYGAXIPJBCOV-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)Cc2ccco2)s1 ZINC000038093051 712807452 /nfs/dbraw/zinc/80/74/52/712807452.db2.gz FECQONQXGCAIMM-NSHDSACASA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)Cc2ccco2)s1 ZINC000038093052 712807270 /nfs/dbraw/zinc/80/72/70/712807270.db2.gz FECQONQXGCAIMM-LLVKDONJSA-N 1 0 249.379 3.624 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCCC(C)C ZINC000038093312 175350664 /nfs/dbraw/zinc/35/06/64/175350664.db2.gz GXHWSNGAEZFVJP-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCCC(C)C ZINC000038093313 175345083 /nfs/dbraw/zinc/34/50/83/175345083.db2.gz GXHWSNGAEZFVJP-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000038093332 324588874 /nfs/dbraw/zinc/58/88/74/324588874.db2.gz HKLNKDYNOIUQOS-NSHDSACASA-N 1 0 211.374 3.835 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cccs1 ZINC000038093333 324588540 /nfs/dbraw/zinc/58/85/40/324588540.db2.gz HKLNKDYNOIUQOS-LLVKDONJSA-N 1 0 211.374 3.835 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000038093335 388652812 /nfs/dbraw/zinc/65/28/12/388652812.db2.gz UCHALSLKIIFCGP-LBPRGKRZSA-N 1 0 223.335 3.913 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000038093336 324588909 /nfs/dbraw/zinc/58/89/09/324588909.db2.gz UCHALSLKIIFCGP-GFCCVEGCSA-N 1 0 223.335 3.913 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093356 175188601 /nfs/dbraw/zinc/18/86/01/175188601.db2.gz VCGHCAXNBAKGCA-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093357 323383251 /nfs/dbraw/zinc/38/32/51/323383251.db2.gz VCGHCAXNBAKGCA-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000038093358 323383216 /nfs/dbraw/zinc/38/32/16/323383216.db2.gz HAZMRJIOQPAFRY-OAHLLOKOSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000038093359 323383314 /nfs/dbraw/zinc/38/33/14/323383314.db2.gz HAZMRJIOQPAFRY-HNNXBMFYSA-N 1 0 217.356 3.700 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)C)o1 ZINC000038093360 384790262 /nfs/dbraw/zinc/79/02/62/384790262.db2.gz CGKYRTKCPVESEA-GFCCVEGCSA-N 1 0 209.333 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC(C)C)o1 ZINC000038093361 178888629 /nfs/dbraw/zinc/88/86/29/178888629.db2.gz CGKYRTKCPVESEA-LBPRGKRZSA-N 1 0 209.333 3.675 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093362 175293087 /nfs/dbraw/zinc/29/30/87/175293087.db2.gz GPQMTHYUZMXZTF-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093363 175287155 /nfs/dbraw/zinc/28/71/55/175287155.db2.gz GPQMTHYUZMXZTF-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000038093364 517413621 /nfs/dbraw/zinc/41/36/21/517413621.db2.gz YIQWEBIOQOWZQU-LBPRGKRZSA-N 1 0 249.354 3.502 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000038093365 387216531 /nfs/dbraw/zinc/21/65/31/387216531.db2.gz YIQWEBIOQOWZQU-GFCCVEGCSA-N 1 0 249.354 3.502 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000038093385 388652978 /nfs/dbraw/zinc/65/29/78/388652978.db2.gz WMRVCABFTMSSSL-AWEZNQCLSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000038093386 388653005 /nfs/dbraw/zinc/65/30/05/388653005.db2.gz WMRVCABFTMSSSL-CQSZACIVSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000038093442 388653019 /nfs/dbraw/zinc/65/30/19/388653019.db2.gz FIDUJDNLAUKMEN-LBPRGKRZSA-N 1 0 223.335 3.913 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000038093443 324588218 /nfs/dbraw/zinc/58/82/18/324588218.db2.gz FIDUJDNLAUKMEN-GFCCVEGCSA-N 1 0 223.335 3.913 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCC(C)C)c(C)s1 ZINC000038093542 538964655 /nfs/dbraw/zinc/96/46/55/538964655.db2.gz LFEBIYPQWZNMAW-SNVBAGLBSA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCC(C)C)c(C)s1 ZINC000038093543 538964843 /nfs/dbraw/zinc/96/48/43/538964843.db2.gz LFEBIYPQWZNMAW-JTQLQIEISA-N 1 0 240.416 3.847 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(C)C)c(C)o1 ZINC000038093547 178224312 /nfs/dbraw/zinc/22/43/12/178224312.db2.gz GNISWAGXSZHABT-GFCCVEGCSA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(C)C)c(C)o1 ZINC000038093548 178247242 /nfs/dbraw/zinc/24/72/42/178247242.db2.gz GNISWAGXSZHABT-LBPRGKRZSA-N 1 0 223.360 3.983 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000038093592 712807336 /nfs/dbraw/zinc/80/73/36/712807336.db2.gz SVTPFBFJGMFJDQ-ZDUSSCGKSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000038093593 712807464 /nfs/dbraw/zinc/80/74/64/712807464.db2.gz SVTPFBFJGMFJDQ-CYBMUJFWSA-N 1 0 223.360 3.627 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093596 188291053 /nfs/dbraw/zinc/29/10/53/188291053.db2.gz YYDFACLFPAOIJD-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093597 175115601 /nfs/dbraw/zinc/11/56/01/175115601.db2.gz YYDFACLFPAOIJD-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CC(C)CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000038093606 388652829 /nfs/dbraw/zinc/65/28/29/388652829.db2.gz BBELJBMIDVPZOY-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCC(C)C)cs1 ZINC000038093627 180034856 /nfs/dbraw/zinc/03/48/56/180034856.db2.gz ALIPSMGWNBBSHW-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCC(C)C)cs1 ZINC000038093628 180049753 /nfs/dbraw/zinc/04/97/53/180049753.db2.gz ALIPSMGWNBBSHW-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]CCCC(C)C ZINC000038093673 175333162 /nfs/dbraw/zinc/33/31/62/175333162.db2.gz ZOORCCVOPKSNON-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]CCCC(C)C ZINC000038093674 188116895 /nfs/dbraw/zinc/11/68/95/188116895.db2.gz ZOORCCVOPKSNON-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000038093700 712807595 /nfs/dbraw/zinc/80/75/95/712807595.db2.gz ZBIGFMQQBAHSAC-ZDUSSCGKSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000038093701 712807459 /nfs/dbraw/zinc/80/74/59/712807459.db2.gz ZBIGFMQQBAHSAC-CYBMUJFWSA-N 1 0 247.382 3.708 20 0 BHADRO CCc1ccc(C[NH2+]CCCC(C)C)s1 ZINC000038093988 323383396 /nfs/dbraw/zinc/38/33/96/323383396.db2.gz DPNVVCQXUCVMOG-UHFFFAOYSA-N 1 0 225.401 3.836 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc2ccccc2n1 ZINC000038093995 166815506 /nfs/dbraw/zinc/81/55/06/166815506.db2.gz LUTPJXHAVUQPAX-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038095618 538964802 /nfs/dbraw/zinc/96/48/02/538964802.db2.gz AUOAEJGGAPAKAH-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038095619 538964528 /nfs/dbraw/zinc/96/45/28/538964528.db2.gz AUOAEJGGAPAKAH-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCO2)c1 ZINC000038095620 538964849 /nfs/dbraw/zinc/96/48/49/538964849.db2.gz AUOAEJGGAPAKAH-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H]2CCCO2)c1 ZINC000038095621 538964670 /nfs/dbraw/zinc/96/46/70/538964670.db2.gz AUOAEJGGAPAKAH-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000038095644 358483001 /nfs/dbraw/zinc/48/30/01/358483001.db2.gz YSPOYIAMASRTDN-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000038095645 387573052 /nfs/dbraw/zinc/57/30/52/387573052.db2.gz YSPOYIAMASRTDN-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000038095646 358482907 /nfs/dbraw/zinc/48/29/07/358482907.db2.gz YSPOYIAMASRTDN-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000038095647 387572433 /nfs/dbraw/zinc/57/24/33/387572433.db2.gz YSPOYIAMASRTDN-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038095818 358483056 /nfs/dbraw/zinc/48/30/56/358483056.db2.gz TUKBSYVUASMFSI-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038095819 387571849 /nfs/dbraw/zinc/57/18/49/387571849.db2.gz TUKBSYVUASMFSI-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038095820 169510629 /nfs/dbraw/zinc/51/06/29/169510629.db2.gz TUKBSYVUASMFSI-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038095821 387573549 /nfs/dbraw/zinc/57/35/49/387573549.db2.gz TUKBSYVUASMFSI-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038096429 358483456 /nfs/dbraw/zinc/48/34/56/358483456.db2.gz FCASTRSOZWUHKA-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038096430 387572197 /nfs/dbraw/zinc/57/21/97/387572197.db2.gz FCASTRSOZWUHKA-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038096431 358483034 /nfs/dbraw/zinc/48/30/34/358483034.db2.gz FCASTRSOZWUHKA-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038096432 387572902 /nfs/dbraw/zinc/57/29/02/387572902.db2.gz FCASTRSOZWUHKA-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000038136511 388652706 /nfs/dbraw/zinc/65/27/06/388652706.db2.gz UQGFZTPBYXFYLM-INIZCTEOSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000038136512 388652565 /nfs/dbraw/zinc/65/25/65/388652565.db2.gz UQGFZTPBYXFYLM-MRXNPFEDSA-N 1 0 243.325 3.719 20 0 BHADRO CC[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000038136593 170145739 /nfs/dbraw/zinc/14/57/39/170145739.db2.gz DRSOGMBEPONPJH-AWEZNQCLSA-N 1 0 245.391 3.950 20 0 BHADRO CC[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000038136594 170162591 /nfs/dbraw/zinc/16/25/91/170162591.db2.gz DRSOGMBEPONPJH-CQSZACIVSA-N 1 0 245.391 3.950 20 0 BHADRO Clc1ccc(/C=C/C[NH+]2CCCCC2)cc1 ZINC000038339761 342746861 /nfs/dbraw/zinc/74/68/61/342746861.db2.gz FJNWTYGQPASGQX-SNAWJCMRSA-N 1 0 235.758 3.839 20 0 BHADRO CCCCCC[N@@H+]1CCc2ccccc2C1 ZINC000038587210 368327788 /nfs/dbraw/zinc/32/77/88/368327788.db2.gz JVSSNMDTBPAWBH-UHFFFAOYSA-N 1 0 217.356 3.625 20 0 BHADRO CCCC[NH+](CCCC)CCc1ccncc1 ZINC000038590004 342878538 /nfs/dbraw/zinc/87/85/38/342878538.db2.gz WRTLLSGJPAEOFU-UHFFFAOYSA-N 1 0 234.387 3.526 20 0 BHADRO c1ccc(C[N@@H+]2CCCc3ccccc3C2)cc1 ZINC000038886137 356493191 /nfs/dbraw/zinc/49/31/91/356493191.db2.gz NTKSCRDSGUPFJG-UHFFFAOYSA-N 1 0 237.346 3.635 20 0 BHADRO CC[NH+](CC)CCCSc1ccccc1 ZINC000038953079 343380757 /nfs/dbraw/zinc/38/07/57/343380757.db2.gz XZEFRSHSECYREE-UHFFFAOYSA-N 1 0 223.385 3.511 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)Cc2ccccc2)c1 ZINC000039077099 344752857 /nfs/dbraw/zinc/75/28/57/344752857.db2.gz BJVHYUMKSVIVEE-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000039101949 343157688 /nfs/dbraw/zinc/15/76/88/343157688.db2.gz VVLUHMQJKASROW-GUTXKFCHSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000039101964 170992504 /nfs/dbraw/zinc/99/25/04/170992504.db2.gz VVLUHMQJKASROW-NFAWXSAZSA-N 1 0 217.356 3.916 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000039150609 343386349 /nfs/dbraw/zinc/38/63/49/343386349.db2.gz POZRASRDUSNFDJ-UHFFFAOYSA-N 1 0 231.261 3.547 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000039151111 352586693 /nfs/dbraw/zinc/58/66/93/352586693.db2.gz KHYHYFYCROGPIT-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO c1ccc(CNc2cc[nH+]c3ccccc23)cc1 ZINC000039204262 388408498 /nfs/dbraw/zinc/40/84/98/388408498.db2.gz IEIBZPOWNOCCAT-UHFFFAOYSA-N 1 0 234.302 3.847 20 0 BHADRO C=Cc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000039236377 356549647 /nfs/dbraw/zinc/54/96/47/356549647.db2.gz AQWHGPJLJMZLAB-UHFFFAOYSA-N 1 0 229.367 3.794 20 0 BHADRO COc1ccc(CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039297357 368274411 /nfs/dbraw/zinc/27/44/11/368274411.db2.gz KLSDTMDSTRMUEU-OKILXGFUSA-N 1 0 247.382 3.501 20 0 BHADRO COc1ccc(CC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000039297359 350333575 /nfs/dbraw/zinc/33/35/75/350333575.db2.gz KLSDTMDSTRMUEU-KBPBESRZSA-N 1 0 247.382 3.501 20 0 BHADRO COc1ccc(CC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000039297361 350333841 /nfs/dbraw/zinc/33/38/41/350333841.db2.gz KLSDTMDSTRMUEU-ZIAGYGMSSA-N 1 0 247.382 3.501 20 0 BHADRO C[N@@H+](Cc1ccccc1)CC1CCCCC1 ZINC000039320057 384536851 /nfs/dbraw/zinc/53/68/51/384536851.db2.gz ZYYTWJLRKWLJDV-UHFFFAOYSA-N 1 0 217.356 3.699 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000039614462 343713397 /nfs/dbraw/zinc/71/33/97/343713397.db2.gz RHGBYUYSXHYOEQ-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000039614463 343713458 /nfs/dbraw/zinc/71/34/58/343713458.db2.gz RHGBYUYSXHYOEQ-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO CCCC[N@H+](Cc1ccccc1)C(C)C ZINC000039644483 384304988 /nfs/dbraw/zinc/30/49/88/384304988.db2.gz YNWRXNAXACIAAQ-UHFFFAOYSA-N 1 0 205.345 3.697 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000040162542 187262789 /nfs/dbraw/zinc/26/27/89/187262789.db2.gz NDQXUQSYEWTDLP-KGLIPLIRSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000040162543 342959223 /nfs/dbraw/zinc/95/92/23/342959223.db2.gz NDQXUQSYEWTDLP-KBPBESRZSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000040162544 342959149 /nfs/dbraw/zinc/95/91/49/342959149.db2.gz NDQXUQSYEWTDLP-ZIAGYGMSSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000040162545 322830375 /nfs/dbraw/zinc/83/03/75/322830375.db2.gz NDQXUQSYEWTDLP-UONOGXRCSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)C1CCC([NH2+]Cc2ccco2)CC1 ZINC000040162610 384545909 /nfs/dbraw/zinc/54/59/09/384545909.db2.gz FBSCULYBMSJNQD-UHFFFAOYSA-N 1 0 235.371 3.974 20 0 BHADRO C[C@H]([NH2+]Cc1cccn1C)c1ccccc1Cl ZINC000040176540 386563113 /nfs/dbraw/zinc/56/31/13/386563113.db2.gz CEUCYUTXYGTHMJ-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1cccn1C)c1ccccc1Cl ZINC000040176541 352554323 /nfs/dbraw/zinc/55/43/23/352554323.db2.gz CEUCYUTXYGTHMJ-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO C[C@H]([NH2+]Cc1cccn1C)c1cccc(Cl)c1 ZINC000040176542 386564616 /nfs/dbraw/zinc/56/46/16/386564616.db2.gz GUUGCTOOKUAEIC-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1cccn1C)c1cccc(Cl)c1 ZINC000040176543 352554340 /nfs/dbraw/zinc/55/43/40/352554340.db2.gz GUUGCTOOKUAEIC-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO C[C@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1 ZINC000040177288 386917097 /nfs/dbraw/zinc/91/70/97/386917097.db2.gz GFASFTQDUJYYHM-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1 ZINC000040177289 355398857 /nfs/dbraw/zinc/39/88/57/355398857.db2.gz GFASFTQDUJYYHM-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO CC(C)C[NH2+]Cc1cc2ccccc2s1 ZINC000040222752 167008000 /nfs/dbraw/zinc/00/80/00/167008000.db2.gz YHCOALAKUDXHIL-UHFFFAOYSA-N 1 0 219.353 3.647 20 0 BHADRO CCCC[NH2+]Cc1cc2ccccc2s1 ZINC000040222754 387015121 /nfs/dbraw/zinc/01/51/21/387015121.db2.gz SCNDURZNRADYAZ-UHFFFAOYSA-N 1 0 219.353 3.791 20 0 BHADRO c1c2ccccc2sc1C[NH2+]C1CCCC1 ZINC000040222756 384542062 /nfs/dbraw/zinc/54/20/62/384542062.db2.gz GIVSYIHNZJSLTC-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO c1coc(C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000040222764 358489161 /nfs/dbraw/zinc/48/91/61/358489161.db2.gz RAEKVASEGLEZKS-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000040222775 187938225 /nfs/dbraw/zinc/93/82/25/187938225.db2.gz QATQWDCTCXCEJT-SNVBAGLBSA-N 1 0 219.353 3.789 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000040222776 171343055 /nfs/dbraw/zinc/34/30/55/171343055.db2.gz QATQWDCTCXCEJT-JTQLQIEISA-N 1 0 219.353 3.789 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000040231716 169275910 /nfs/dbraw/zinc/27/59/10/169275910.db2.gz PHMIYLQULCFBES-ZDUSSCGKSA-N 1 0 240.350 3.809 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000040231718 169287336 /nfs/dbraw/zinc/28/73/36/169287336.db2.gz PHMIYLQULCFBES-CYBMUJFWSA-N 1 0 240.350 3.809 20 0 BHADRO CCC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000040231791 169277272 /nfs/dbraw/zinc/27/72/72/169277272.db2.gz ITRMMEXMAUSLAV-ZDUSSCGKSA-N 1 0 240.350 3.809 20 0 BHADRO CCC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000040231792 169287354 /nfs/dbraw/zinc/28/73/54/169287354.db2.gz ITRMMEXMAUSLAV-CYBMUJFWSA-N 1 0 240.350 3.809 20 0 BHADRO c1csc(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000040238053 488260960 /nfs/dbraw/zinc/26/09/60/488260960.db2.gz AMETVURXMWHRFD-UHFFFAOYSA-N 1 0 229.348 3.667 20 0 BHADRO c1csc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000040238096 355823391 /nfs/dbraw/zinc/82/33/91/355823391.db2.gz INMIFLJSDZXFKB-UHFFFAOYSA-N 1 0 229.348 3.667 20 0 BHADRO Cc1ccc(-c2nc(C[NH2+]C(C)C)cs2)cc1 ZINC000040414278 178335462 /nfs/dbraw/zinc/33/54/62/178335462.db2.gz WEKUXPOAOQQJJR-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO CCC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000040415672 169269481 /nfs/dbraw/zinc/26/94/81/169269481.db2.gz WMKIFNVURRZZJZ-UHFFFAOYSA-N 1 0 246.379 3.618 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1cscn1 ZINC000040420422 386660356 /nfs/dbraw/zinc/66/03/56/386660356.db2.gz NLBMONILQNRTNI-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO c1ccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cc1 ZINC000040442559 183379537 /nfs/dbraw/zinc/37/95/37/183379537.db2.gz TZZGZFFAJGCIHC-INIZCTEOSA-N 1 0 223.319 3.778 20 0 BHADRO c1ccc(-c2cccc([C@H]3CCC[NH2+]3)c2)cc1 ZINC000040442560 183380781 /nfs/dbraw/zinc/38/07/81/183380781.db2.gz TZZGZFFAJGCIHC-MRXNPFEDSA-N 1 0 223.319 3.778 20 0 BHADRO CCC1CCC([NH2+]Cc2csc(C)n2)CC1 ZINC000040443776 358491619 /nfs/dbraw/zinc/49/16/19/358491619.db2.gz UBADUCVIRURJQE-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCC1CCC([NH2+]Cc2cnc(C)s2)CC1 ZINC000040443778 343403642 /nfs/dbraw/zinc/40/36/42/343403642.db2.gz ZISYITSCDJAHHE-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCCC1CCC([NH2+]Cc2nccs2)CC1 ZINC000040444049 358491187 /nfs/dbraw/zinc/49/11/87/358491187.db2.gz NLJRJEVUWACPRF-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]C2CCCCC2)s1 ZINC000040445756 358491428 /nfs/dbraw/zinc/49/14/28/358491428.db2.gz AGFRRKVEJPEIJB-SNVBAGLBSA-N 1 0 238.400 3.743 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]C2CCCCC2)s1 ZINC000040445757 358490845 /nfs/dbraw/zinc/49/08/45/358490845.db2.gz AGFRRKVEJPEIJB-JTQLQIEISA-N 1 0 238.400 3.743 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040445848 136749453 /nfs/dbraw/zinc/74/94/53/136749453.db2.gz XAWCZTJPOLELII-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040445849 136749560 /nfs/dbraw/zinc/74/95/60/136749560.db2.gz XAWCZTJPOLELII-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2)s1 ZINC000040445922 343403336 /nfs/dbraw/zinc/40/33/36/343403336.db2.gz RIVZXGRYWVVEGK-SNVBAGLBSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2)s1 ZINC000040445923 343403617 /nfs/dbraw/zinc/40/36/17/343403617.db2.gz RIVZXGRYWVVEGK-JTQLQIEISA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(NCCC2=CCCCC2)[nH+]1 ZINC000040453918 179144472 /nfs/dbraw/zinc/14/44/72/179144472.db2.gz QYWCWSQMJMDLEM-UHFFFAOYSA-N 1 0 216.328 3.692 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000040492247 322832168 /nfs/dbraw/zinc/83/21/68/322832168.db2.gz QFQUFYDKEXCMEM-UHFFFAOYSA-N 1 0 227.351 3.976 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cccc2ccccc21 ZINC000040492261 342966737 /nfs/dbraw/zinc/96/67/37/342966737.db2.gz AVSWXZVSXSLREG-UHFFFAOYSA-N 1 0 227.351 3.976 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000040492287 384571282 /nfs/dbraw/zinc/57/12/82/384571282.db2.gz NKYBWIAHPVMHNL-UHFFFAOYSA-N 1 0 245.288 3.841 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000040492291 384570924 /nfs/dbraw/zinc/57/09/24/384570924.db2.gz AQWKCZZSQQTNHC-UHFFFAOYSA-N 1 0 245.288 3.841 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC(C)(C)C)c(C)c1 ZINC000040492309 384569127 /nfs/dbraw/zinc/56/91/27/384569127.db2.gz OVGMTWWZFVYWBN-UHFFFAOYSA-N 1 0 219.372 3.748 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000040492395 322832158 /nfs/dbraw/zinc/83/21/58/322832158.db2.gz MAIIPXOUFQMDMV-UHFFFAOYSA-N 1 0 245.288 3.841 20 0 BHADRO CC(C)c1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000040492396 322832162 /nfs/dbraw/zinc/83/21/62/322832162.db2.gz DOEVOLIRPCZUDA-UHFFFAOYSA-N 1 0 219.372 3.946 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)C ZINC000040492411 322831981 /nfs/dbraw/zinc/83/19/81/322831981.db2.gz AOXQOVQWPBCJDK-ZDUSSCGKSA-N 1 0 219.372 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CC(C)(C)C ZINC000040492413 384571376 /nfs/dbraw/zinc/57/13/76/384571376.db2.gz AOXQOVQWPBCJDK-CYBMUJFWSA-N 1 0 219.372 3.643 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492428 387798367 /nfs/dbraw/zinc/79/83/67/387798367.db2.gz GTKHLDAJSBEPBX-GFCCVEGCSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492430 387799227 /nfs/dbraw/zinc/79/92/27/387799227.db2.gz GTKHLDAJSBEPBX-LBPRGKRZSA-N 1 0 205.345 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccccc1F ZINC000040492497 387798987 /nfs/dbraw/zinc/79/89/87/387798987.db2.gz WWXNQFXZDQLADX-JTQLQIEISA-N 1 0 209.308 3.522 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccccc1F ZINC000040492498 322832209 /nfs/dbraw/zinc/83/22/09/322832209.db2.gz WWXNQFXZDQLADX-SNVBAGLBSA-N 1 0 209.308 3.522 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000040492501 386212579 /nfs/dbraw/zinc/21/25/79/386212579.db2.gz TZAVYUFMULLOKM-JTQLQIEISA-N 1 0 209.308 3.522 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000040492502 387797605 /nfs/dbraw/zinc/79/76/05/387797605.db2.gz TZAVYUFMULLOKM-SNVBAGLBSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000040492537 322832703 /nfs/dbraw/zinc/83/27/03/322832703.db2.gz PJQSIDLAVSMLAV-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000040492538 322832160 /nfs/dbraw/zinc/83/21/60/322832160.db2.gz PJQSIDLAVSMLAV-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492553 322832005 /nfs/dbraw/zinc/83/20/05/322832005.db2.gz AWOCZNBRHGAJPK-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492554 384569210 /nfs/dbraw/zinc/56/92/10/384569210.db2.gz AWOCZNBRHGAJPK-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000040492564 387798644 /nfs/dbraw/zinc/79/86/44/387798644.db2.gz AAKAJYAGPJNLHH-GFCCVEGCSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)C ZINC000040492565 322832018 /nfs/dbraw/zinc/83/20/18/322832018.db2.gz AAKAJYAGPJNLHH-LBPRGKRZSA-N 1 0 205.345 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000040492576 384153469 /nfs/dbraw/zinc/15/34/69/384153469.db2.gz NIJIMQQUAHJRPL-VIFPVBQESA-N 1 0 227.298 3.662 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000040492577 384570323 /nfs/dbraw/zinc/57/03/23/384570323.db2.gz NIJIMQQUAHJRPL-SECBINFHSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1F ZINC000040492578 322832011 /nfs/dbraw/zinc/83/20/11/322832011.db2.gz FYHGOMOMGWWYOH-VIFPVBQESA-N 1 0 227.298 3.662 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1F ZINC000040492579 322832164 /nfs/dbraw/zinc/83/21/64/322832164.db2.gz FYHGOMOMGWWYOH-SECBINFHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccc(OC)cc1 ZINC000040492585 358492050 /nfs/dbraw/zinc/49/20/50/358492050.db2.gz VDSNHBXKGPAVMW-AWEZNQCLSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccc(OC)cc1 ZINC000040492586 387578597 /nfs/dbraw/zinc/57/85/97/387578597.db2.gz VDSNHBXKGPAVMW-CQSZACIVSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000040492587 384570314 /nfs/dbraw/zinc/57/03/14/384570314.db2.gz KZKSRJSRTRSJBO-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC(C)(C)C ZINC000040492588 384570901 /nfs/dbraw/zinc/57/09/01/384570901.db2.gz KZKSRJSRTRSJBO-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc(F)ccc1F ZINC000040492598 322832007 /nfs/dbraw/zinc/83/20/07/322832007.db2.gz BKFQAEVSYZBXGH-SECBINFHSA-N 1 0 227.298 3.662 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000040492610 384570894 /nfs/dbraw/zinc/57/08/94/384570894.db2.gz OEOPBIACMXZQMN-GFCCVEGCSA-N 1 0 235.371 3.700 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)C ZINC000040492611 322832395 /nfs/dbraw/zinc/83/23/95/322832395.db2.gz OEOPBIACMXZQMN-LBPRGKRZSA-N 1 0 235.371 3.700 20 0 BHADRO CC(C)(C)C[NH2+]Cc1c(F)cccc1Cl ZINC000040492623 387798844 /nfs/dbraw/zinc/79/88/44/387798844.db2.gz DAAWSJWTSBGTQT-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000040492636 387797735 /nfs/dbraw/zinc/79/77/35/387797735.db2.gz RIHCMZAFHYJZNW-JTQLQIEISA-N 1 0 209.308 3.522 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000040492637 387798938 /nfs/dbraw/zinc/79/89/38/387798938.db2.gz RIHCMZAFHYJZNW-SNVBAGLBSA-N 1 0 209.308 3.522 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)CC(C)(C)C1 ZINC000040492642 387798928 /nfs/dbraw/zinc/79/89/28/387798928.db2.gz PQWRVWQISBVWPK-NEPJUHHUSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C)CC(C)(C)C1 ZINC000040492643 322953722 /nfs/dbraw/zinc/95/37/22/322953722.db2.gz PQWRVWQISBVWPK-RYUDHWBXSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)CC(C)(C)C1 ZINC000040492644 386211790 /nfs/dbraw/zinc/21/17/90/386211790.db2.gz PQWRVWQISBVWPK-VXGBXAGGSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)CC(C)(C)C1 ZINC000040492645 322832680 /nfs/dbraw/zinc/83/26/80/322832680.db2.gz PQWRVWQISBVWPK-NWDGAFQWSA-N 1 0 211.393 3.837 20 0 BHADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(C)(C)C ZINC000040492654 175208104 /nfs/dbraw/zinc/20/81/04/175208104.db2.gz PACBAMQRPSXRKG-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(C)(C)C ZINC000040492655 175207981 /nfs/dbraw/zinc/20/79/81/175207981.db2.gz PACBAMQRPSXRKG-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C)s1 ZINC000040492664 387799310 /nfs/dbraw/zinc/79/93/10/387799310.db2.gz ZWAIDHQCOUBLAD-SNVBAGLBSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C)s1 ZINC000040492665 387798039 /nfs/dbraw/zinc/79/80/39/387798039.db2.gz ZWAIDHQCOUBLAD-JTQLQIEISA-N 1 0 211.374 3.753 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)C)cc1F ZINC000040492679 175188152 /nfs/dbraw/zinc/18/81/52/175188152.db2.gz ZNMXWQSJLKCELM-JTQLQIEISA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C)cc1F ZINC000040492680 633810752 /nfs/dbraw/zinc/81/07/52/633810752.db2.gz ZNMXWQSJLKCELM-SNVBAGLBSA-N 1 0 239.334 3.531 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000040492685 166592335 /nfs/dbraw/zinc/59/23/35/166592335.db2.gz ZECJEEVSGKNAKO-CQSZACIVSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000040492686 358492118 /nfs/dbraw/zinc/49/21/18/358492118.db2.gz ZECJEEVSGKNAKO-AWEZNQCLSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000040492700 633810902 /nfs/dbraw/zinc/81/09/02/633810902.db2.gz DCWHRRPSCHMIGA-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000040492702 166589528 /nfs/dbraw/zinc/58/95/28/166589528.db2.gz LBAZIZJQVZWLCS-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CCCOc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000040492706 322832692 /nfs/dbraw/zinc/83/26/92/322832692.db2.gz JALJMOJFWSKYEN-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CSc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000040492714 633810743 /nfs/dbraw/zinc/81/07/43/633810743.db2.gz JTNYFGNUONYNPH-UHFFFAOYSA-N 1 0 223.385 3.544 20 0 BHADRO CCCC1CCC([NH2+]CC(C)(C)C)CC1 ZINC000040492715 387797628 /nfs/dbraw/zinc/79/76/28/387797628.db2.gz NGZJPUAFIQODJG-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1cccs1 ZINC000040492733 387798443 /nfs/dbraw/zinc/79/84/43/387798443.db2.gz BEQZJEVTKYYIGG-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1cccs1 ZINC000040492734 387797682 /nfs/dbraw/zinc/79/76/82/387797682.db2.gz BEQZJEVTKYYIGG-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C)c(C)o1 ZINC000040492768 178222228 /nfs/dbraw/zinc/22/22/28/178222228.db2.gz UYKPXZLEWNWPOX-SNVBAGLBSA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C)c(C)o1 ZINC000040492769 178245602 /nfs/dbraw/zinc/24/56/02/178245602.db2.gz UYKPXZLEWNWPOX-JTQLQIEISA-N 1 0 209.333 3.593 20 0 BHADRO CC(C)(C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000040492858 633810287 /nfs/dbraw/zinc/81/02/87/633810287.db2.gz VCMFOASHBZKWKB-UHFFFAOYSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC(C)(C)C)C2)cc1 ZINC000040492859 322832715 /nfs/dbraw/zinc/83/27/15/322832715.db2.gz OFKYHCIOBXEYKL-UHFFFAOYSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)(C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000040492860 635414810 /nfs/dbraw/zinc/41/48/10/635414810.db2.gz MRXSFCGTPRJJBF-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)(C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000040492865 358237077 /nfs/dbraw/zinc/23/70/77/358237077.db2.gz XHYRSDNJLPLJCN-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC(C)(C)C)C1 ZINC000040492869 358237066 /nfs/dbraw/zinc/23/70/66/358237066.db2.gz IPZSFLXLUZWDTD-UHFFFAOYSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)(C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000040492870 384573980 /nfs/dbraw/zinc/57/39/80/384573980.db2.gz GEVKKTZEUZBGOI-UHFFFAOYSA-N 1 0 235.346 3.707 20 0 BHADRO COc1ccccc1C1CC([NH2+]CC(C)(C)C)C1 ZINC000040492873 175320738 /nfs/dbraw/zinc/32/07/38/175320738.db2.gz ZFFRCEOKXVPCHD-UHFFFAOYSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000040492903 322832775 /nfs/dbraw/zinc/83/27/75/322832775.db2.gz BRTPVOVTQRJVQP-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CC(C)(C)C ZINC000040492904 322832635 /nfs/dbraw/zinc/83/26/35/322832635.db2.gz QKOFKDTWFHHDPU-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492906 358237592 /nfs/dbraw/zinc/23/75/92/358237592.db2.gz XNYIPAAAXSZQQN-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000040492907 358237297 /nfs/dbraw/zinc/23/72/97/358237297.db2.gz XNYIPAAAXSZQQN-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccccc1OC ZINC000040492910 358492315 /nfs/dbraw/zinc/49/23/15/358492315.db2.gz KZHMLFQPQANKDP-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccccc1OC ZINC000040492911 387577657 /nfs/dbraw/zinc/57/76/57/387577657.db2.gz KZHMLFQPQANKDP-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040492964 322832626 /nfs/dbraw/zinc/83/26/26/322832626.db2.gz ITXSNHOCPOHIAW-BFHYXJOUSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000040492966 322832724 /nfs/dbraw/zinc/83/27/24/322832724.db2.gz ITXSNHOCPOHIAW-MGPQQGTHSA-N 1 0 223.404 3.981 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)C)c(F)c1 ZINC000040492968 384575661 /nfs/dbraw/zinc/57/56/61/384575661.db2.gz QEBDHXQFXGOGAL-JTQLQIEISA-N 1 0 239.334 3.531 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C)c(F)c1 ZINC000040492969 384575487 /nfs/dbraw/zinc/57/54/87/384575487.db2.gz QEBDHXQFXGOGAL-SNVBAGLBSA-N 1 0 239.334 3.531 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492970 322832634 /nfs/dbraw/zinc/83/26/34/322832634.db2.gz XEOUCMNMUZKNKH-GFCCVEGCSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492971 322832628 /nfs/dbraw/zinc/83/26/28/322832628.db2.gz XEOUCMNMUZKNKH-LBPRGKRZSA-N 1 0 205.345 3.692 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC(C)(C)C)cc1C ZINC000040492978 384579446 /nfs/dbraw/zinc/57/94/46/384579446.db2.gz OQHIWXRKIMYABM-UHFFFAOYSA-N 1 0 219.372 3.748 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000040493000 358237581 /nfs/dbraw/zinc/23/75/81/358237581.db2.gz HXGVOJBOQXDVQJ-GFCCVEGCSA-N 1 0 235.371 3.700 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)C ZINC000040493001 358237630 /nfs/dbraw/zinc/23/76/30/358237630.db2.gz HXGVOJBOQXDVQJ-LBPRGKRZSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000040493026 633810320 /nfs/dbraw/zinc/81/03/20/633810320.db2.gz JNDNXDNJPADRRN-AWEZNQCLSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000040493027 633810835 /nfs/dbraw/zinc/81/08/35/633810835.db2.gz JNDNXDNJPADRRN-CQSZACIVSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)(C)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000040493044 384577048 /nfs/dbraw/zinc/57/70/48/384577048.db2.gz XYGOETDFWBMEMK-CQSZACIVSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)(C)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000040493045 384579128 /nfs/dbraw/zinc/57/91/28/384579128.db2.gz XYGOETDFWBMEMK-AWEZNQCLSA-N 1 0 235.346 3.913 20 0 BHADRO CCCOc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000040493082 358236929 /nfs/dbraw/zinc/23/69/29/358236929.db2.gz ZWTFMBGZWHHVSY-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000040493746 373331111 /nfs/dbraw/zinc/33/11/11/373331111.db2.gz ZLAYFORIBRDMRL-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499472 633814926 /nfs/dbraw/zinc/81/49/26/633814926.db2.gz YUIDJXLLTJUJJJ-KGLIPLIRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499473 633815571 /nfs/dbraw/zinc/81/55/71/633815571.db2.gz YUIDJXLLTJUJJJ-KBPBESRZSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499474 633815637 /nfs/dbraw/zinc/81/56/37/633815637.db2.gz YUIDJXLLTJUJJJ-ZIAGYGMSSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499475 633814868 /nfs/dbraw/zinc/81/48/68/633814868.db2.gz YUIDJXLLTJUJJJ-UONOGXRCSA-N 1 0 235.371 3.541 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000040500385 179061225 /nfs/dbraw/zinc/06/12/25/179061225.db2.gz QTGWHSIYSSCVDR-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccco2)c1 ZINC000040500386 179061715 /nfs/dbraw/zinc/06/17/15/179061715.db2.gz QTGWHSIYSSCVDR-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500401 322832980 /nfs/dbraw/zinc/83/29/80/322832980.db2.gz KSEMOXWHNAQDCB-KGLIPLIRSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500402 384579668 /nfs/dbraw/zinc/57/96/68/384579668.db2.gz KSEMOXWHNAQDCB-KBPBESRZSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000040500403 384579059 /nfs/dbraw/zinc/57/90/59/384579059.db2.gz KSEMOXWHNAQDCB-ZIAGYGMSSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000040500404 384579782 /nfs/dbraw/zinc/57/97/82/384579782.db2.gz KSEMOXWHNAQDCB-UONOGXRCSA-N 1 0 219.372 3.704 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CC(C)C)c1 ZINC000040500405 322832839 /nfs/dbraw/zinc/83/28/39/322832839.db2.gz JJHIOWWIDJYJKD-CQSZACIVSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CC(C)C)c1 ZINC000040500406 384578973 /nfs/dbraw/zinc/57/89/73/384578973.db2.gz JJHIOWWIDJYJKD-AWEZNQCLSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2CCCC2)c1 ZINC000040500407 322832882 /nfs/dbraw/zinc/83/28/82/322832882.db2.gz XMIRBKMGVIQAAG-CQSZACIVSA-N 1 0 231.383 3.848 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2CCCC2)c1 ZINC000040500408 384579045 /nfs/dbraw/zinc/57/90/45/384579045.db2.gz XMIRBKMGVIQAAG-AWEZNQCLSA-N 1 0 231.383 3.848 20 0 BHADRO CCCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500437 322832891 /nfs/dbraw/zinc/83/28/91/322832891.db2.gz VMWNDXVNKPECCV-AWEZNQCLSA-N 1 0 219.372 3.706 20 0 BHADRO CCCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000040500438 384577072 /nfs/dbraw/zinc/57/70/72/384577072.db2.gz VMWNDXVNKPECCV-CQSZACIVSA-N 1 0 219.372 3.706 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CC2CCC2)c1 ZINC000040500585 384579551 /nfs/dbraw/zinc/57/95/51/384579551.db2.gz PYPBVSXDAYQOBP-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CC2CCC2)c1 ZINC000040500586 384578431 /nfs/dbraw/zinc/57/84/31/384578431.db2.gz PYPBVSXDAYQOBP-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO CCCCOCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000040505978 322832919 /nfs/dbraw/zinc/83/29/19/322832919.db2.gz QRGDGLKOBOEBSJ-UHFFFAOYSA-N 1 0 249.398 3.518 20 0 BHADRO CCCCOCC[NH2+]C1CCCCCCC1 ZINC000040506000 633817859 /nfs/dbraw/zinc/81/78/59/633817859.db2.gz BSRFARXWNLCEPM-UHFFFAOYSA-N 1 0 227.392 3.506 20 0 BHADRO CCCCOCC[NH2+][C@@H](CC)c1ccccc1 ZINC000040506150 346906054 /nfs/dbraw/zinc/90/60/54/346906054.db2.gz CSXSJHBCALBXCQ-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCOCC[NH2+][C@H](CC)c1ccccc1 ZINC000040506153 168903722 /nfs/dbraw/zinc/90/37/22/168903722.db2.gz CSXSJHBCALBXCQ-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000040506416 322832886 /nfs/dbraw/zinc/83/28/86/322832886.db2.gz DBQQCAMLWCPAHM-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000040506424 322833016 /nfs/dbraw/zinc/83/30/16/322833016.db2.gz QDRPVTVLKPUUCJ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000040506445 384577563 /nfs/dbraw/zinc/57/75/63/384577563.db2.gz WMMLFXFJUFRFFC-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000040506446 322832836 /nfs/dbraw/zinc/83/28/36/322832836.db2.gz WMMLFXFJUFRFFC-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000040506564 322833276 /nfs/dbraw/zinc/83/32/76/322833276.db2.gz SDFLIXKGYXYYKF-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000040506572 322833306 /nfs/dbraw/zinc/83/33/06/322833306.db2.gz LHHRHWMBVCRZOK-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000040506584 322833150 /nfs/dbraw/zinc/83/31/50/322833150.db2.gz VJCCVCXTERUHHW-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000040506585 384578093 /nfs/dbraw/zinc/57/80/93/384578093.db2.gz VJCCVCXTERUHHW-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO CCCCOCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000040506599 322833332 /nfs/dbraw/zinc/83/33/32/322833332.db2.gz FLWKREYHKNXMRX-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCCOCC[NH2+][C@H](CCC)c1ccccc1 ZINC000040506600 384576824 /nfs/dbraw/zinc/57/68/24/384576824.db2.gz FLWKREYHKNXMRX-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO CCCCOCC[NH2+]C1CCC(CCC)CC1 ZINC000040506633 384577259 /nfs/dbraw/zinc/57/72/59/384577259.db2.gz RATQGXPYASVECO-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCC[NH2+][C@@H](CC)c1cccs1 ZINC000040506655 384576913 /nfs/dbraw/zinc/57/69/13/384576913.db2.gz AXJPIKDCOLDXLQ-LBPRGKRZSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCC[NH2+][C@H](CC)c1cccs1 ZINC000040506656 384577010 /nfs/dbraw/zinc/57/70/10/384577010.db2.gz AXJPIKDCOLDXLQ-GFCCVEGCSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000040506900 343406225 /nfs/dbraw/zinc/40/62/25/343406225.db2.gz JHIOTGXITWIRMC-UHFFFAOYSA-N 1 0 249.398 3.518 20 0 BHADRO CCCCOCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000040506955 384577501 /nfs/dbraw/zinc/57/75/01/384577501.db2.gz GYJWBKSGVUERCM-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCCCOCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000040506956 322833345 /nfs/dbraw/zinc/83/33/45/322833345.db2.gz GYJWBKSGVUERCM-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000040517594 387577678 /nfs/dbraw/zinc/57/76/78/387577678.db2.gz IEPDTKCCXHOGDK-VHSXEESVSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000040517595 179920377 /nfs/dbraw/zinc/92/03/77/179920377.db2.gz IEPDTKCCXHOGDK-UWVGGRQHSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000040517596 358494350 /nfs/dbraw/zinc/49/43/50/358494350.db2.gz IEPDTKCCXHOGDK-NXEZZACHSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000040517597 179920421 /nfs/dbraw/zinc/92/04/21/179920421.db2.gz IEPDTKCCXHOGDK-ZJUUUORDSA-N 1 0 240.416 3.845 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040517630 168390751 /nfs/dbraw/zinc/39/07/51/168390751.db2.gz BIUNVUYYIMAVRQ-VIFPVBQESA-N 1 0 226.389 3.599 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040517631 168392275 /nfs/dbraw/zinc/39/22/75/168392275.db2.gz BIUNVUYYIMAVRQ-SECBINFHSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040517926 538971828 /nfs/dbraw/zinc/97/18/28/538971828.db2.gz JFELKGCWTPZYCL-BDAKNGLRSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040517927 538971610 /nfs/dbraw/zinc/97/16/10/538971610.db2.gz JFELKGCWTPZYCL-IUCAKERBSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040517928 538971859 /nfs/dbraw/zinc/97/18/59/538971859.db2.gz JFELKGCWTPZYCL-RKDXNWHRSA-N 1 0 226.389 3.599 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040517929 538971681 /nfs/dbraw/zinc/97/16/81/538971681.db2.gz JFELKGCWTPZYCL-DTWKUNHWSA-N 1 0 226.389 3.599 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518009 171366872 /nfs/dbraw/zinc/36/68/72/171366872.db2.gz SQLOYMBRBNAASL-AEJSXWLSSA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518011 171390585 /nfs/dbraw/zinc/39/05/85/171390585.db2.gz SQLOYMBRBNAASL-GUBZILKMSA-N 1 0 240.416 3.845 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518014 487826396 /nfs/dbraw/zinc/82/63/96/487826396.db2.gz UQQPZGYYPCBOMS-VIFPVBQESA-N 1 0 226.389 3.601 20 0 BHADRO CCCCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518015 384320911 /nfs/dbraw/zinc/32/09/11/384320911.db2.gz UQQPZGYYPCBOMS-SECBINFHSA-N 1 0 226.389 3.601 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518050 633819144 /nfs/dbraw/zinc/81/91/44/633819144.db2.gz GHPXNPSYIODKSU-JTQLQIEISA-N 1 0 240.416 3.991 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518051 633818904 /nfs/dbraw/zinc/81/89/04/633818904.db2.gz GHPXNPSYIODKSU-SNVBAGLBSA-N 1 0 240.416 3.991 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000040518066 179918758 /nfs/dbraw/zinc/91/87/58/179918758.db2.gz BPAROFVGAFTCCB-SCZZXKLOSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000040518067 179920834 /nfs/dbraw/zinc/92/08/34/179920834.db2.gz BPAROFVGAFTCCB-WPRPVWTQSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)s1 ZINC000040518068 179918943 /nfs/dbraw/zinc/91/89/43/179918943.db2.gz BPAROFVGAFTCCB-PSASIEDQSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C2(C)CC2)s1 ZINC000040518069 633818924 /nfs/dbraw/zinc/81/89/24/633818924.db2.gz BPAROFVGAFTCCB-WCBMZHEXSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000040518466 358493822 /nfs/dbraw/zinc/49/38/22/358493822.db2.gz LRXJMAYHXTYNTJ-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000040518467 346911840 /nfs/dbraw/zinc/91/18/40/346911840.db2.gz LRXJMAYHXTYNTJ-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040639969 350393863 /nfs/dbraw/zinc/39/38/63/350393863.db2.gz NNAIWSXMVXUYMV-CYBMUJFWSA-N 1 0 235.371 3.752 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040639972 350393653 /nfs/dbraw/zinc/39/36/53/350393653.db2.gz NNAIWSXMVXUYMV-ZDUSSCGKSA-N 1 0 235.371 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000040640205 384588900 /nfs/dbraw/zinc/58/89/00/384588900.db2.gz SLTCQIBYAGVRKQ-CYBMUJFWSA-N 1 0 235.371 3.608 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000040640207 322833599 /nfs/dbraw/zinc/83/35/99/322833599.db2.gz SLTCQIBYAGVRKQ-ZDUSSCGKSA-N 1 0 235.371 3.608 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CC2CCCC2)c1 ZINC000040640238 384588182 /nfs/dbraw/zinc/58/81/82/384588182.db2.gz GGPQAJXGFWHAMM-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640702 384159558 /nfs/dbraw/zinc/15/95/58/384159558.db2.gz GOZJFHYVCLTGBY-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000040640717 350393889 /nfs/dbraw/zinc/39/38/89/350393889.db2.gz SPJPORRYPLCWFG-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000040734650 711482933 /nfs/dbraw/zinc/48/29/33/711482933.db2.gz CEPUQUBJGSXYPG-CQSZACIVSA-N 1 0 249.398 3.883 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000040734653 636941227 /nfs/dbraw/zinc/94/12/27/636941227.db2.gz CEPUQUBJGSXYPG-AWEZNQCLSA-N 1 0 249.398 3.883 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000040734664 322834633 /nfs/dbraw/zinc/83/46/33/322834633.db2.gz GFORCJHHYOZSKS-UKRRQHHQSA-N 1 0 249.398 3.739 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccc(O)cc1 ZINC000040734667 384602440 /nfs/dbraw/zinc/60/24/40/384602440.db2.gz GFORCJHHYOZSKS-DZGCQCFKSA-N 1 0 249.398 3.739 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000040734670 322834494 /nfs/dbraw/zinc/83/44/94/322834494.db2.gz GFORCJHHYOZSKS-HIFRSBDPSA-N 1 0 249.398 3.739 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000040734673 322834536 /nfs/dbraw/zinc/83/45/36/322834536.db2.gz GFORCJHHYOZSKS-ZFWWWQNUSA-N 1 0 249.398 3.739 20 0 BHADRO Oc1ccc(CC[NH2+]C2CCCCCCC2)cc1 ZINC000040734861 636939708 /nfs/dbraw/zinc/93/97/08/636939708.db2.gz CYRCWLFNKLDPKZ-UHFFFAOYSA-N 1 0 247.382 3.637 20 0 BHADRO c1ccc2c(NC3CCCCC3)cc[nH+]c2c1 ZINC000040835494 384595621 /nfs/dbraw/zinc/59/56/21/384595621.db2.gz XRSBCRPPSASDNY-UHFFFAOYSA-N 1 0 226.323 3.979 20 0 in-vivo BHADRO CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000040994852 169276713 /nfs/dbraw/zinc/27/67/13/169276713.db2.gz NRCRSVOZYFAWSR-VIFPVBQESA-N 1 0 226.389 3.636 20 0 BHADRO CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000040994854 169288131 /nfs/dbraw/zinc/28/81/31/169288131.db2.gz NRCRSVOZYFAWSR-SECBINFHSA-N 1 0 226.389 3.636 20 0 BHADRO CCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000040995917 322834110 /nfs/dbraw/zinc/83/41/10/322834110.db2.gz NIGJFXIWKBJQOH-NSHDSACASA-N 1 0 247.338 3.810 20 0 BHADRO CCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000040995919 322834279 /nfs/dbraw/zinc/83/42/79/322834279.db2.gz NIGJFXIWKBJQOH-LLVKDONJSA-N 1 0 247.338 3.810 20 0 BHADRO CCC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000040996661 169269288 /nfs/dbraw/zinc/26/92/88/169269288.db2.gz UEMJOFYXFWOITG-UHFFFAOYSA-N 1 0 246.379 3.618 20 0 BHADRO CCC[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000040996665 323111227 /nfs/dbraw/zinc/11/12/27/323111227.db2.gz WIWYZOGFVFSXKE-UHFFFAOYSA-N 1 0 238.400 3.690 20 0 BHADRO Cc1ccc(-c2ncc(C[NH2+]C(C)C)s2)cc1 ZINC000040996717 178338483 /nfs/dbraw/zinc/33/84/83/178338483.db2.gz XVDWQGYOQDUMGO-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO CC(C)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000040996721 323111332 /nfs/dbraw/zinc/11/13/32/323111332.db2.gz LRRFUYCNVCMLPQ-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000040997036 487640453 /nfs/dbraw/zinc/64/04/53/487640453.db2.gz DMGCCAOEFRRSGM-UHFFFAOYSA-N 1 0 246.379 3.536 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)s1)c1ccccc1 ZINC000040997377 343411741 /nfs/dbraw/zinc/41/17/41/343411741.db2.gz UIDDSNNGEIFQDE-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccccc1 ZINC000040997378 343411726 /nfs/dbraw/zinc/41/17/26/343411726.db2.gz UIDDSNNGEIFQDE-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cnc(C)s1 ZINC000040997504 344411607 /nfs/dbraw/zinc/41/16/07/344411607.db2.gz BRLOUICOWXMFNP-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000040997509 358504730 /nfs/dbraw/zinc/50/47/30/358504730.db2.gz BMSSJTFSKRXUJJ-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cnc(C)s1 ZINC000040997510 171296592 /nfs/dbraw/zinc/29/65/92/171296592.db2.gz BMSSJTFSKRXUJJ-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000040997511 387589305 /nfs/dbraw/zinc/58/93/05/387589305.db2.gz BMSSJTFSKRXUJJ-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000040997512 171299140 /nfs/dbraw/zinc/29/91/40/171299140.db2.gz BMSSJTFSKRXUJJ-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)C2CCCCC2)s1 ZINC000040997760 180154263 /nfs/dbraw/zinc/15/42/63/180154263.db2.gz ONHYBSLQHLFBLG-JTQLQIEISA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)C2CCCCC2)s1 ZINC000040997761 180156866 /nfs/dbraw/zinc/15/68/66/180156866.db2.gz ONHYBSLQHLFBLG-SNVBAGLBSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)c2cccc(C)c2)s1 ZINC000040997766 179182309 /nfs/dbraw/zinc/18/23/09/179182309.db2.gz ZDQKAOLGBOLRRX-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)c2cccc(C)c2)s1 ZINC000040997767 179196469 /nfs/dbraw/zinc/19/64/69/179196469.db2.gz ZDQKAOLGBOLRRX-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CCCC(CCC)[NH2+]Cc1csc(C)n1 ZINC000041010426 538974056 /nfs/dbraw/zinc/97/40/56/538974056.db2.gz HNQJETKRZGTBPR-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1csc(C)n1 ZINC000041010431 538974169 /nfs/dbraw/zinc/97/41/69/538974169.db2.gz RZLQLFWYWSIAAZ-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1csc(C)n1 ZINC000041010432 538974173 /nfs/dbraw/zinc/97/41/73/538974173.db2.gz RZLQLFWYWSIAAZ-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1csc(C)n1 ZINC000041010433 538974204 /nfs/dbraw/zinc/97/42/04/538974204.db2.gz RZLQLFWYWSIAAZ-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1csc(C)n1 ZINC000041010434 538974039 /nfs/dbraw/zinc/97/40/39/538974039.db2.gz RZLQLFWYWSIAAZ-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)C2CCCCC2)cs1 ZINC000041010583 358504811 /nfs/dbraw/zinc/50/48/11/358504811.db2.gz BTIIJYRLCONOIK-JTQLQIEISA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)C2CCCCC2)cs1 ZINC000041010584 358505137 /nfs/dbraw/zinc/50/51/37/358505137.db2.gz BTIIJYRLCONOIK-SNVBAGLBSA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1nccs1 ZINC000041012351 166779094 /nfs/dbraw/zinc/77/90/94/166779094.db2.gz AYTJYPZGKHQIBM-UHFFFAOYSA-N 1 0 240.416 3.694 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1nccs1 ZINC000041012420 344412069 /nfs/dbraw/zinc/41/20/69/344412069.db2.gz XOTZXXVMWCASCJ-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1nccs1 ZINC000041012422 344411975 /nfs/dbraw/zinc/41/19/75/344411975.db2.gz XOTZXXVMWCASCJ-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000041012831 188118214 /nfs/dbraw/zinc/11/82/14/188118214.db2.gz QATVIRACRSGLFR-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000041012833 384173380 /nfs/dbraw/zinc/17/33/80/384173380.db2.gz QATVIRACRSGLFR-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO c1ccc([C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000041045553 322833468 /nfs/dbraw/zinc/83/34/68/322833468.db2.gz ZVHSFJPCQUJBLS-HNNXBMFYSA-N 1 0 215.340 3.527 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000041045554 384591804 /nfs/dbraw/zinc/59/18/04/384591804.db2.gz ZVHSFJPCQUJBLS-OAHLLOKOSA-N 1 0 215.340 3.527 20 0 BHADRO CC(C)(C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041045569 384593421 /nfs/dbraw/zinc/59/34/21/384593421.db2.gz LDTWTHSJLRNXPA-AWEZNQCLSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)(C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041045570 384591715 /nfs/dbraw/zinc/59/17/15/384591715.db2.gz LDTWTHSJLRNXPA-CQSZACIVSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)C ZINC000041051260 358241489 /nfs/dbraw/zinc/24/14/89/358241489.db2.gz SJOVUGWVNZHKNL-NSHDSACASA-N 1 0 239.790 3.907 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)C ZINC000041051261 358241454 /nfs/dbraw/zinc/24/14/54/358241454.db2.gz SJOVUGWVNZHKNL-LLVKDONJSA-N 1 0 239.790 3.907 20 0 BHADRO CC(C)(C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000041051332 322833885 /nfs/dbraw/zinc/83/38/85/322833885.db2.gz KHSXGFXZZIBGRI-UHFFFAOYSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)C ZINC000041051425 343414206 /nfs/dbraw/zinc/41/42/06/343414206.db2.gz HJMAGIWXTXGPCD-CYBMUJFWSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CC(C)(C)C ZINC000041051426 358241639 /nfs/dbraw/zinc/24/16/39/358241639.db2.gz HJMAGIWXTXGPCD-ZDUSSCGKSA-N 1 0 219.372 3.562 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000041051442 322833843 /nfs/dbraw/zinc/83/38/43/322833843.db2.gz YGXKTNZYHFSQIB-UHFFFAOYSA-N 1 0 219.372 3.600 20 0 BHADRO CCC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061493 322834296 /nfs/dbraw/zinc/83/42/96/322834296.db2.gz DZIDZAJTZGNSBZ-VIFPVBQESA-N 1 0 226.389 3.501 20 0 BHADRO CCC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061494 384595862 /nfs/dbraw/zinc/59/58/62/384595862.db2.gz DZIDZAJTZGNSBZ-SECBINFHSA-N 1 0 226.389 3.501 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccco2)s1 ZINC000041062197 384176901 /nfs/dbraw/zinc/17/69/01/384176901.db2.gz MOVIJGVBTWWYGV-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccco2)s1 ZINC000041062198 384175772 /nfs/dbraw/zinc/17/57/72/384175772.db2.gz MOVIJGVBTWWYGV-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC)s1 ZINC000041062211 384600261 /nfs/dbraw/zinc/60/02/61/384600261.db2.gz NXCSHYASCCSKAM-VHSXEESVSA-N 1 0 211.374 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC)s1 ZINC000041062212 322834090 /nfs/dbraw/zinc/83/40/90/322834090.db2.gz NXCSHYASCCSKAM-UWVGGRQHSA-N 1 0 211.374 3.760 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC)s1 ZINC000041062213 384600310 /nfs/dbraw/zinc/60/03/10/384600310.db2.gz NXCSHYASCCSKAM-NXEZZACHSA-N 1 0 211.374 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CC)s1 ZINC000041062214 322834284 /nfs/dbraw/zinc/83/42/84/322834284.db2.gz NXCSHYASCCSKAM-ZJUUUORDSA-N 1 0 211.374 3.760 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC(C)C)s1 ZINC000041062215 322834115 /nfs/dbraw/zinc/83/41/15/322834115.db2.gz HMYNYMNSBOYUCQ-SNVBAGLBSA-N 1 0 211.374 3.617 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC(C)C)s1 ZINC000041062216 322834121 /nfs/dbraw/zinc/83/41/21/322834121.db2.gz HMYNYMNSBOYUCQ-JTQLQIEISA-N 1 0 211.374 3.617 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CCCC2)s1 ZINC000041062217 322834262 /nfs/dbraw/zinc/83/42/62/322834262.db2.gz ACZCKKQUTIBEBT-SNVBAGLBSA-N 1 0 223.385 3.904 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CCCC2)s1 ZINC000041062218 322834091 /nfs/dbraw/zinc/83/40/91/322834091.db2.gz ACZCKKQUTIBEBT-JTQLQIEISA-N 1 0 223.385 3.904 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000041062235 322834118 /nfs/dbraw/zinc/83/41/18/322834118.db2.gz BELFQIGNTRLOPO-JTQLQIEISA-N 1 0 211.374 3.761 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000041062236 322834096 /nfs/dbraw/zinc/83/40/96/322834096.db2.gz BELFQIGNTRLOPO-SNVBAGLBSA-N 1 0 211.374 3.761 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2CCC2)s1 ZINC000041062277 322834313 /nfs/dbraw/zinc/83/43/13/322834313.db2.gz UOVFQSCAFCPMEA-SNVBAGLBSA-N 1 0 223.385 3.761 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2CCC2)s1 ZINC000041062278 322834277 /nfs/dbraw/zinc/83/42/77/322834277.db2.gz UOVFQSCAFCPMEA-JTQLQIEISA-N 1 0 223.385 3.761 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)s1 ZINC000041062297 322834257 /nfs/dbraw/zinc/83/42/57/322834257.db2.gz VMQVBHYBJKGFMG-VHSXEESVSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)s1 ZINC000041062298 322834158 /nfs/dbraw/zinc/83/41/58/322834158.db2.gz VMQVBHYBJKGFMG-UWVGGRQHSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)s1 ZINC000041062299 384599783 /nfs/dbraw/zinc/59/97/83/384599783.db2.gz VMQVBHYBJKGFMG-NXEZZACHSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)s1 ZINC000041062300 322834206 /nfs/dbraw/zinc/83/42/06/322834206.db2.gz VMQVBHYBJKGFMG-ZJUUUORDSA-N 1 0 223.385 3.760 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000041066794 636961949 /nfs/dbraw/zinc/96/19/49/636961949.db2.gz QNJVJUJMDGAEHA-GFCCVEGCSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000041066795 636963011 /nfs/dbraw/zinc/96/30/11/636963011.db2.gz QNJVJUJMDGAEHA-LBPRGKRZSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)OCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075373 167223594 /nfs/dbraw/zinc/22/35/94/167223594.db2.gz BEEVZXBZFJSXKF-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)OCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041075374 167222139 /nfs/dbraw/zinc/22/21/39/167222139.db2.gz BEEVZXBZFJSXKF-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO c1coc(CC[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000041075423 322834787 /nfs/dbraw/zinc/83/47/87/322834787.db2.gz CFNGKCJUOAOOHH-INIZCTEOSA-N 1 0 241.334 3.563 20 0 BHADRO c1coc(CC[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000041075424 384606189 /nfs/dbraw/zinc/60/61/89/384606189.db2.gz CFNGKCJUOAOOHH-MRXNPFEDSA-N 1 0 241.334 3.563 20 0 BHADRO CCCCOCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075813 384607989 /nfs/dbraw/zinc/60/79/89/384607989.db2.gz JVZIXPOFLUNRMK-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCOCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041075814 384606263 /nfs/dbraw/zinc/60/62/63/384606263.db2.gz JVZIXPOFLUNRMK-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)(C)C[NH2+]CCCn1ccc2ccccc21 ZINC000041120251 384606003 /nfs/dbraw/zinc/60/60/03/384606003.db2.gz XZOKSBBCIYKVEU-UHFFFAOYSA-N 1 0 244.382 3.667 20 0 BHADRO CC(C)(C)CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000041120354 384606624 /nfs/dbraw/zinc/60/66/24/384606624.db2.gz ZPNAIOJERRBBKD-UHFFFAOYSA-N 1 0 246.398 3.740 20 0 BHADRO CC[NH+](CC)Cc1cccc(NCC(C)(C)C)c1 ZINC000041120563 384607388 /nfs/dbraw/zinc/60/73/88/384607388.db2.gz QSHFPATVZXHFPO-UHFFFAOYSA-N 1 0 248.414 3.986 20 0 BHADRO CCc1ccc(-c2nc([C@H](C)[NH3+])sc2C)cc1 ZINC000041162307 352608121 /nfs/dbraw/zinc/60/81/21/352608121.db2.gz FAZPZBIYVHPDGI-VIFPVBQESA-N 1 0 246.379 3.701 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2)s1 ZINC000041202992 387593301 /nfs/dbraw/zinc/59/33/01/387593301.db2.gz STYVFYXDSJLWOF-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2cccnc2)s1 ZINC000041202995 387593201 /nfs/dbraw/zinc/59/32/01/387593201.db2.gz STYVFYXDSJLWOF-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccco2)s1 ZINC000041203329 384614708 /nfs/dbraw/zinc/61/47/08/384614708.db2.gz ZJYMNHXTWIIHTO-LLVKDONJSA-N 1 0 249.379 3.797 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccco2)s1 ZINC000041203332 322834882 /nfs/dbraw/zinc/83/48/82/322834882.db2.gz ZJYMNHXTWIIHTO-NSHDSACASA-N 1 0 249.379 3.797 20 0 BHADRO CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000041214274 323112529 /nfs/dbraw/zinc/11/25/29/323112529.db2.gz KHAQCQWRHMGYIB-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO CC[N@@H+](Cc1ccccc1)CC1CCCC1 ZINC000041230501 410913422 /nfs/dbraw/zinc/91/34/22/410913422.db2.gz DHJYDBGOFCFFRB-UHFFFAOYSA-N 1 0 217.356 3.699 20 0 BHADRO CC(C)[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000041233478 167102909 /nfs/dbraw/zinc/10/29/09/167102909.db2.gz FNKIQMAHWLECLV-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO CC(C)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000041233508 167005369 /nfs/dbraw/zinc/00/53/69/167005369.db2.gz XMKBBQKBBUQKMS-UHFFFAOYSA-N 1 0 219.372 3.598 20 0 BHADRO CC(C)C[NH2+]CCCc1cccc(Cl)c1 ZINC000041246665 167005342 /nfs/dbraw/zinc/00/53/42/167005342.db2.gz TWBLGJIVLNMKHU-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO CC(C)C[NH2+]CCCc1ccc(Cl)cc1 ZINC000041246668 167005245 /nfs/dbraw/zinc/00/52/45/167005245.db2.gz IEYXKKORWMJIHY-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO CC(C)(C)C[NH2+]CCc1ccccc1Cl ZINC000041246680 350784011 /nfs/dbraw/zinc/78/40/11/350784011.db2.gz JIBDMKKXQKADNO-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO CC(C)(C)C[NH2+]CCc1cccc(Cl)c1 ZINC000041246688 323112713 /nfs/dbraw/zinc/11/27/13/323112713.db2.gz DGWHQYRVCSKYMR-UHFFFAOYSA-N 1 0 225.763 3.518 20 0 BHADRO c1ccc2c(c1)CC[N@@H+](CC1CCCCC1)C2 ZINC000041251840 384635593 /nfs/dbraw/zinc/63/55/93/384635593.db2.gz UGVNTBVUSAJEOL-UHFFFAOYSA-N 1 0 229.367 3.625 20 0 BHADRO CC(C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000041258020 166965291 /nfs/dbraw/zinc/96/52/91/166965291.db2.gz QTNYXDUXMXNJKK-UHFFFAOYSA-N 1 0 231.383 3.597 20 0 BHADRO CCc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000041258061 398307161 /nfs/dbraw/zinc/30/71/61/398307161.db2.gz GPDQRURBMFXVCA-UHFFFAOYSA-N 1 0 231.383 3.714 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000041258065 636981117 /nfs/dbraw/zinc/98/11/17/636981117.db2.gz CPSHDJFTUQTAAG-UHFFFAOYSA-N 1 0 231.383 3.885 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCCCC2)c(C)c1 ZINC000041258107 374125190 /nfs/dbraw/zinc/12/51/90/374125190.db2.gz WPPOICWLMBDGLR-UHFFFAOYSA-N 1 0 231.383 3.768 20 0 BHADRO Cc1cc(C)c(CC[NH2+]C2CCCC2)c(C)c1 ZINC000041258115 635490224 /nfs/dbraw/zinc/49/02/24/635490224.db2.gz MRRMDDFNHFHWJS-UHFFFAOYSA-N 1 0 231.383 3.687 20 0 BHADRO CC(C)c1ccc(CC[NH2+]CC(C)(C)C)cc1 ZINC000041261929 167593916 /nfs/dbraw/zinc/59/39/16/167593916.db2.gz RMYCHAIXUXRYRK-UHFFFAOYSA-N 1 0 233.399 3.988 20 0 BHADRO Cc1cc(C)c(CC[NH2+]CC(C)(C)C)c(C)c1 ZINC000041261957 350604919 /nfs/dbraw/zinc/60/49/19/350604919.db2.gz HJUUDMNXAVEWIR-UHFFFAOYSA-N 1 0 233.399 3.790 20 0 BHADRO Fc1ccccc1CCC[NH2+]C1CCCCC1 ZINC000041267286 323205784 /nfs/dbraw/zinc/20/57/84/323205784.db2.gz FBEFAKHRADZHHK-UHFFFAOYSA-N 1 0 235.346 3.681 20 0 BHADRO Clc1cccc(CC[NH2+]CC2CCCC2)c1 ZINC000041279627 323206100 /nfs/dbraw/zinc/20/61/00/323206100.db2.gz ALXXDBJDJXQLDA-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO Clc1cccc(CC[NH2+]C2CCCCC2)c1 ZINC000041279630 342995827 /nfs/dbraw/zinc/99/58/27/342995827.db2.gz FDWLOUWZMUXEJA-UHFFFAOYSA-N 1 0 237.774 3.805 20 0 BHADRO Clc1ccc(CC[NH2+]CC2CCCC2)cc1 ZINC000041279638 355873230 /nfs/dbraw/zinc/87/32/30/355873230.db2.gz SKEKXZBHAWLUFP-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO CC(C)C[NH2+]CCCc1c(F)cccc1Cl ZINC000041289635 167004393 /nfs/dbraw/zinc/00/43/93/167004393.db2.gz AZOKIEDKEYFAQL-UHFFFAOYSA-N 1 0 243.753 3.657 20 0 BHADRO Cc1ccccc1OCC[NH2+]C1CCCCCC1 ZINC000041299600 179310672 /nfs/dbraw/zinc/31/06/72/179310672.db2.gz DWQLRNHVLYJUCL-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO Cc1cccc(OCC[NH2+]C2CCCCCC2)c1 ZINC000041299602 179167916 /nfs/dbraw/zinc/16/79/16/179167916.db2.gz YVWCDQBOPZEWFZ-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO Cc1ccc(OCC[NH2+]C2CCCCCC2)cc1 ZINC000041299604 490177172 /nfs/dbraw/zinc/17/71/72/490177172.db2.gz JNQIFLQNIKJCCY-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO Cc1cc(C)cc(OCC[NH2+]C2CCCCC2)c1 ZINC000041299608 355874417 /nfs/dbraw/zinc/87/44/17/355874417.db2.gz LIOFDVBSJWBRHL-UHFFFAOYSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cc(C)cc(OCC[NH+]2CCCCCC2)c1 ZINC000041299611 350629494 /nfs/dbraw/zinc/62/94/94/350629494.db2.gz GTOFJRAETLNKMV-UHFFFAOYSA-N 1 0 247.382 3.558 20 0 BHADRO Cc1ccccc1OCCC[NH2+]C1CCCCC1 ZINC000041299911 179309742 /nfs/dbraw/zinc/30/97/42/179309742.db2.gz BPNPQOMPJDZWAE-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO Cc1ccc(OCCC[NH2+]C2CCCCC2)cc1 ZINC000041299919 348428819 /nfs/dbraw/zinc/42/88/19/348428819.db2.gz QHPNCMWHNLBUOQ-UHFFFAOYSA-N 1 0 247.382 3.686 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+]C1CCCC1 ZINC000041299933 348428663 /nfs/dbraw/zinc/42/86/63/348428663.db2.gz PPOHNMQAVTVQEQ-UHFFFAOYSA-N 1 0 247.382 3.721 20 0 BHADRO CC(C)c1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000041299937 348428623 /nfs/dbraw/zinc/42/86/23/348428623.db2.gz RELLBQVIWPFQNR-UHFFFAOYSA-N 1 0 247.382 3.721 20 0 BHADRO Cc1cccc(C)c1OCC[NH2+]C1CCCCC1 ZINC000041299944 179046510 /nfs/dbraw/zinc/04/65/10/179046510.db2.gz CYONVEIOQYBSFU-UHFFFAOYSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc(C)c1OCCC[NH2+]C1CCCC1 ZINC000041299947 179045965 /nfs/dbraw/zinc/04/59/65/179045965.db2.gz BNMXCQCSMJNZGI-UHFFFAOYSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc(OCC[NH2+]C2CCCCC2)c(C)c1 ZINC000041299954 386571591 /nfs/dbraw/zinc/57/15/91/386571591.db2.gz VCURTDQBGXGBMK-UHFFFAOYSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc(OCCC[NH2+]C2CCCC2)c1C ZINC000041299962 179164128 /nfs/dbraw/zinc/16/41/28/179164128.db2.gz KEHABJWFTQWNHA-UHFFFAOYSA-N 1 0 247.382 3.605 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+]CC(C)(C)C ZINC000041304909 350674911 /nfs/dbraw/zinc/67/49/11/350674911.db2.gz FBMSJNUMQRJNDC-UHFFFAOYSA-N 1 0 249.398 3.825 20 0 BHADRO CC(C)c1ccc(OCC[NH2+]CC(C)(C)C)cc1 ZINC000041304921 323206291 /nfs/dbraw/zinc/20/62/91/323206291.db2.gz BEAAVQICTQOIMF-UHFFFAOYSA-N 1 0 249.398 3.825 20 0 BHADRO Cc1cccc(C)c1OCCC[NH2+]CC(C)(C)C ZINC000041304967 323206306 /nfs/dbraw/zinc/20/63/06/323206306.db2.gz SMLBOALEWOIHHZ-UHFFFAOYSA-N 1 0 249.398 3.708 20 0 BHADRO C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000041392504 384189369 /nfs/dbraw/zinc/18/93/69/384189369.db2.gz HSOMMEYJMFGORT-UHFFFAOYSA-N 1 0 235.327 3.519 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2cccs2)c1 ZINC000041392508 357128932 /nfs/dbraw/zinc/12/89/32/357128932.db2.gz VPBBWCIMYGQWKQ-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO Cc1ccccc1C[N@H+](C)Cc1cccs1 ZINC000041392519 357128674 /nfs/dbraw/zinc/12/86/74/357128674.db2.gz YURPXIQKGVPZOO-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO C[N@H+](Cc1cccs1)Cc1cccc(F)c1 ZINC000041392527 374137808 /nfs/dbraw/zinc/13/78/08/374137808.db2.gz XLPUINFFLFIHNN-UHFFFAOYSA-N 1 0 235.327 3.519 20 0 BHADRO CC[C@@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000041581919 342995910 /nfs/dbraw/zinc/99/59/10/342995910.db2.gz RUUZYAPTKIPYFW-CYBMUJFWSA-N 1 0 243.350 3.607 20 0 BHADRO CC[C@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000041581920 171340581 /nfs/dbraw/zinc/34/05/81/171340581.db2.gz RUUZYAPTKIPYFW-ZDUSSCGKSA-N 1 0 243.350 3.607 20 0 BHADRO CCCC[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000041581955 643499421 /nfs/dbraw/zinc/49/94/21/643499421.db2.gz GRLSXKOYINJXAN-UHFFFAOYSA-N 1 0 249.398 3.753 20 0 BHADRO CCCC[NH2+]CCOc1cccc2ccccc21 ZINC000041581956 641545950 /nfs/dbraw/zinc/54/59/50/641545950.db2.gz HYOZZNMXFSZFMT-UHFFFAOYSA-N 1 0 243.350 3.608 20 0 BHADRO CCCCC[NH2+]CCCCOc1ccccc1 ZINC000041582028 322837593 /nfs/dbraw/zinc/83/75/93/322837593.db2.gz AMNZWSBMMKRHAG-UHFFFAOYSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000041582376 176080804 /nfs/dbraw/zinc/08/08/04/176080804.db2.gz VOTIOFLQVAIYBX-ZBFHGGJFSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000041582377 177082850 /nfs/dbraw/zinc/08/28/50/177082850.db2.gz VOTIOFLQVAIYBX-HOCLYGCPSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000041582378 176088701 /nfs/dbraw/zinc/08/87/01/176088701.db2.gz VOTIOFLQVAIYBX-GDBMZVCRSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000041582379 177088647 /nfs/dbraw/zinc/08/86/47/177088647.db2.gz VOTIOFLQVAIYBX-GOEBONIOSA-N 1 0 247.382 3.624 20 0 BHADRO c1ccc2c(NC3CCCC3)cc[nH+]c2c1 ZINC000041720231 384632526 /nfs/dbraw/zinc/63/25/26/384632526.db2.gz ODHKEUKJBJPBMW-UHFFFAOYSA-N 1 0 212.296 3.589 20 0 BHADRO CCC(CC)Nc1cc[nH+]c2ccccc12 ZINC000041720236 322836492 /nfs/dbraw/zinc/83/64/92/322836492.db2.gz YMGCXKFLJVTYKN-UHFFFAOYSA-N 1 0 214.312 3.835 20 0 BHADRO CCC[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000041720261 343423130 /nfs/dbraw/zinc/42/31/30/343423130.db2.gz PYUOEPGYIXEUBT-LLVKDONJSA-N 1 0 214.312 3.835 20 0 BHADRO CCCCCNc1cc[nH+]c2ccccc12 ZINC000041720302 322836289 /nfs/dbraw/zinc/83/62/89/322836289.db2.gz XVCFYNWUBRIPHI-UHFFFAOYSA-N 1 0 214.312 3.837 20 0 BHADRO CC(C)CCNc1cc[nH+]c2ccccc12 ZINC000041720317 384632803 /nfs/dbraw/zinc/63/28/03/384632803.db2.gz XWAFOGNCPIXOPA-UHFFFAOYSA-N 1 0 214.312 3.693 20 0 BHADRO c1csc(CNc2cc[nH+]c3ccccc23)c1 ZINC000041720469 358514126 /nfs/dbraw/zinc/51/41/26/358514126.db2.gz OPRUEKJUQWUOSX-UHFFFAOYSA-N 1 0 240.331 3.908 20 0 BHADRO c1ccc2c(NCC3CCCC3)cc[nH+]c2c1 ZINC000041720490 384631470 /nfs/dbraw/zinc/63/14/70/384631470.db2.gz FLBKLOHSHAAPJE-UHFFFAOYSA-N 1 0 226.323 3.837 20 0 BHADRO C[C@H](Nc1cc[nH+]c2ccccc12)c1ccccn1 ZINC000041720575 344441445 /nfs/dbraw/zinc/44/14/45/344441445.db2.gz MZDQGWHXULYOAR-LBPRGKRZSA-N 1 0 249.317 3.803 20 0 BHADRO C[C@@H](Nc1cc[nH+]c2ccccc12)c1ccccn1 ZINC000041720580 344441461 /nfs/dbraw/zinc/44/14/61/344441461.db2.gz MZDQGWHXULYOAR-GFCCVEGCSA-N 1 0 249.317 3.803 20 0 BHADRO CC(C)(C)CNc1cc[nH+]c2ccccc12 ZINC000041721076 384631903 /nfs/dbraw/zinc/63/19/03/384631903.db2.gz YAJHUPNOAKMCFU-UHFFFAOYSA-N 1 0 214.312 3.693 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000042121807 343093420 /nfs/dbraw/zinc/09/34/20/343093420.db2.gz JSPBTHHOBUBFKY-UHFFFAOYSA-N 1 0 246.329 3.606 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000042123211 358518571 /nfs/dbraw/zinc/51/85/71/358518571.db2.gz DNVORRAPIJZGTK-NSHDSACASA-N 1 0 233.330 3.589 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000042123212 358518505 /nfs/dbraw/zinc/51/85/05/358518505.db2.gz DNVORRAPIJZGTK-LLVKDONJSA-N 1 0 233.330 3.589 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000042123324 358518069 /nfs/dbraw/zinc/51/80/69/358518069.db2.gz FGDZMJGCCFBJIO-NSHDSACASA-N 1 0 233.330 3.589 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000042123325 176594072 /nfs/dbraw/zinc/59/40/72/176594072.db2.gz FGDZMJGCCFBJIO-LLVKDONJSA-N 1 0 233.330 3.589 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC000042147557 343117690 /nfs/dbraw/zinc/11/76/90/343117690.db2.gz DTAJIUBCWPHFPE-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC000042147558 343118043 /nfs/dbraw/zinc/11/80/43/343118043.db2.gz DTAJIUBCWPHFPE-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CCN(Cc1ccco1)Cc1ccccc1Cl ZINC000042148221 368300302 /nfs/dbraw/zinc/30/03/02/368300302.db2.gz LKBRFFSKWZGQQC-UHFFFAOYSA-N 1 0 249.741 3.955 20 0 BHADRO CC[N@H+](Cc1ccco1)Cc1ccccc1C ZINC000042148356 323244072 /nfs/dbraw/zinc/24/40/72/323244072.db2.gz DUDRCEDBROFMFS-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCC2)c(C)c1 ZINC000042176145 342995510 /nfs/dbraw/zinc/99/55/10/342995510.db2.gz WYXGSUTVVIZVNL-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CC1([NH2+]Cc2ccccc2Cl)CCCC1 ZINC000042176208 342995501 /nfs/dbraw/zinc/99/55/01/342995501.db2.gz KXVCIZAXHPUPTH-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2)CCCC1 ZINC000042176226 342995496 /nfs/dbraw/zinc/99/54/96/342995496.db2.gz DADITTRWGGBXGD-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO CCOc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176287 342995652 /nfs/dbraw/zinc/99/56/52/342995652.db2.gz ARIVETWMJXFMJW-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176313 342995506 /nfs/dbraw/zinc/99/55/06/342995506.db2.gz IOTUMPBDLZVQQD-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(C)CCCC2)o1 ZINC000042176382 342995503 /nfs/dbraw/zinc/99/55/03/342995503.db2.gz YDRHEOTZPPOYKP-YPMHNXCESA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(C)CCCC2)o1 ZINC000042176385 342995508 /nfs/dbraw/zinc/99/55/08/342995508.db2.gz YDRHEOTZPPOYKP-AAEUAGOBSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(C)CCCC2)o1 ZINC000042176387 342995564 /nfs/dbraw/zinc/99/55/64/342995564.db2.gz YDRHEOTZPPOYKP-DGCLKSJQSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(C)CCCC2)o1 ZINC000042176389 342995677 /nfs/dbraw/zinc/99/56/77/342995677.db2.gz YDRHEOTZPPOYKP-WCQYABFASA-N 1 0 233.355 3.825 20 0 BHADRO CC1([NH2+]Cc2cccc(Cl)c2)CCCC1 ZINC000042176569 342995548 /nfs/dbraw/zinc/99/55/48/342995548.db2.gz RDSWETWHLAGWLK-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CCCC1)c1ccccc1 ZINC000042176654 342995463 /nfs/dbraw/zinc/99/54/63/342995463.db2.gz UBBZYSCENMQDSN-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO C[C@H](C[NH2+]C1(C)CCCC1)c1ccccc1 ZINC000042176658 342995545 /nfs/dbraw/zinc/99/55/45/342995545.db2.gz UBBZYSCENMQDSN-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CC1([NH2+]Cc2cc3ccccc3o2)CCCC1 ZINC000042176673 342995658 /nfs/dbraw/zinc/99/56/58/342995658.db2.gz PHKPKPMEVUNTGB-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)s2)CCCC1 ZINC000042176678 374252220 /nfs/dbraw/zinc/25/22/20/374252220.db2.gz DEKRSWVBWSVKLM-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176686 342995745 /nfs/dbraw/zinc/99/57/45/342995745.db2.gz SAKZMPGMOAAMDS-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CSc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176707 342995491 /nfs/dbraw/zinc/99/54/91/342995491.db2.gz YKXFRLVDSSMUFW-UHFFFAOYSA-N 1 0 235.396 3.831 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176872 342995613 /nfs/dbraw/zinc/99/56/13/342995613.db2.gz JAZDNTAASUKZMV-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCC2)cc1C ZINC000042176968 342995577 /nfs/dbraw/zinc/99/55/77/342995577.db2.gz BBGSTXUHMOVNDZ-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCOc1cccc(C[NH2+]C2(C)CCCC2)c1 ZINC000042177079 342995462 /nfs/dbraw/zinc/99/54/62/342995462.db2.gz FYMCOGAFHJTAFZ-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(C)CCCC2)c1 ZINC000042177095 342995718 /nfs/dbraw/zinc/99/57/18/342995718.db2.gz PLPYEYFCYSOEMG-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2(C)CCCC2)c1 ZINC000042177111 342995643 /nfs/dbraw/zinc/99/56/43/342995643.db2.gz GZHNKORFWCUTCT-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO CC1([NH2+]Cc2ccc(F)cc2Cl)CCCC1 ZINC000042187307 342995706 /nfs/dbraw/zinc/99/57/06/342995706.db2.gz LHAJWYWUJDKOOR-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CCCC2)s1 ZINC000042187385 342995668 /nfs/dbraw/zinc/99/56/68/342995668.db2.gz FSJYOAMHBIWBDI-UHFFFAOYSA-N 1 0 223.385 3.733 20 0 BHADRO CC1([NH2+]Cc2ccc3ncccc3c2)CCCC1 ZINC000042187429 168063717 /nfs/dbraw/zinc/06/37/17/168063717.db2.gz MWEANMGZANMZOC-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000042203644 384205604 /nfs/dbraw/zinc/20/56/04/384205604.db2.gz FAVYJVXASOOQRV-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000042203647 384206487 /nfs/dbraw/zinc/20/64/87/384206487.db2.gz FAVYJVXASOOQRV-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000042203649 384205988 /nfs/dbraw/zinc/20/59/88/384205988.db2.gz FAVYJVXASOOQRV-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000042203652 384205403 /nfs/dbraw/zinc/20/54/03/384205403.db2.gz FAVYJVXASOOQRV-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCc2ccccc2)c1 ZINC000042209183 188476803 /nfs/dbraw/zinc/47/68/03/188476803.db2.gz BPYYVJDDTCJMRD-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000042209258 344445894 /nfs/dbraw/zinc/44/58/94/344445894.db2.gz GTZRUIGXNQPLJW-CYBMUJFWSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000042209261 344445916 /nfs/dbraw/zinc/44/59/16/344445916.db2.gz GTZRUIGXNQPLJW-ZDUSSCGKSA-N 1 0 205.345 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000042209270 384632139 /nfs/dbraw/zinc/63/21/39/384632139.db2.gz PSCALSRAMWUTCJ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2C)cc1 ZINC000042209284 342995523 /nfs/dbraw/zinc/99/55/23/342995523.db2.gz KDEJSWNNPCLFDN-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccccc2F)c1 ZINC000042209297 178474999 /nfs/dbraw/zinc/47/49/99/178474999.db2.gz KSDWFUJJDQHZQB-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000042209321 387623986 /nfs/dbraw/zinc/62/39/86/387623986.db2.gz ALIYBGVSOJPWQG-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)c2ccccn2)c1 ZINC000042209324 387624004 /nfs/dbraw/zinc/62/40/04/387624004.db2.gz ALIYBGVSOJPWQG-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccccc2C)c1 ZINC000042209327 384632585 /nfs/dbraw/zinc/63/25/85/384632585.db2.gz LZLCXRAEVGKAJR-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCc2cccs2)c1 ZINC000042209330 322836699 /nfs/dbraw/zinc/83/66/99/322836699.db2.gz IJMJQGNNAOCODX-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2cccnc2)c1 ZINC000042209417 384206642 /nfs/dbraw/zinc/20/66/42/384206642.db2.gz UYWPWDJNMAHZGO-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)c2cccnc2)c1 ZINC000042209420 384206245 /nfs/dbraw/zinc/20/62/45/384206245.db2.gz UYWPWDJNMAHZGO-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CCC1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000042210110 322836770 /nfs/dbraw/zinc/83/67/70/322836770.db2.gz NSVXCZXFUQSCIO-UHFFFAOYSA-N 1 0 241.762 3.991 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000042222563 166571369 /nfs/dbraw/zinc/57/13/69/166571369.db2.gz CWXWWPGVURWUJL-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1 ZINC000042223807 384635329 /nfs/dbraw/zinc/63/53/29/384635329.db2.gz WRHJIOKKPMZWPM-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1 ZINC000042223809 384634932 /nfs/dbraw/zinc/63/49/32/384634932.db2.gz WRHJIOKKPMZWPM-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1F ZINC000042224449 322837143 /nfs/dbraw/zinc/83/71/43/322837143.db2.gz RNDAAYMEUFCWPY-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1F ZINC000042224451 322837174 /nfs/dbraw/zinc/83/71/74/322837174.db2.gz RNDAAYMEUFCWPY-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1cccc(F)c1 ZINC000042224453 384635049 /nfs/dbraw/zinc/63/50/49/384635049.db2.gz IRXRSQMTGXQDLB-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cccc(F)c1 ZINC000042224455 322837121 /nfs/dbraw/zinc/83/71/21/322837121.db2.gz IRXRSQMTGXQDLB-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CCC(C)(C)C ZINC000042225433 358343606 /nfs/dbraw/zinc/34/36/06/358343606.db2.gz KJWXHZDSVVBPKT-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CCC(C)(C)C ZINC000042225435 358343359 /nfs/dbraw/zinc/34/33/59/358343359.db2.gz KJWXHZDSVVBPKT-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000042237268 322837004 /nfs/dbraw/zinc/83/70/04/322837004.db2.gz RGIXSFZYKDPMQL-UHFFFAOYSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(C)ccc2C)c1 ZINC000042238583 384636119 /nfs/dbraw/zinc/63/61/19/384636119.db2.gz YEFLVGHDHLKCHB-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCCC(C)C)c1 ZINC000042240004 384636078 /nfs/dbraw/zinc/63/60/78/384636078.db2.gz MBESJTOIRCKGON-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO CCc1ccc(C[NH2+]CCc2ccsc2)cc1 ZINC000042240574 384634138 /nfs/dbraw/zinc/63/41/38/384634138.db2.gz YJLAUKFTDBCTKF-UHFFFAOYSA-N 1 0 245.391 3.643 20 0 BHADRO Cc1ccnc(NC2CCCCCC2)c1 ZINC000042244061 344446624 /nfs/dbraw/zinc/44/66/24/344446624.db2.gz CEQLSIZWQDQUIF-UHFFFAOYSA-N 1 0 204.317 3.525 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCc2ccsc2)c1 ZINC000042248976 384636010 /nfs/dbraw/zinc/63/60/10/384636010.db2.gz SZTVHJPNVXIIBF-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccsc2)c(C)c1 ZINC000042248981 322837288 /nfs/dbraw/zinc/83/72/88/322837288.db2.gz SVUZHISUFISQSF-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccsc2)cc1C ZINC000042249016 384635226 /nfs/dbraw/zinc/63/52/26/384635226.db2.gz LXEITMKJRWEWAZ-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO C[C@@H](C[NH2+]CCc1ccsc1)c1ccccc1 ZINC000042249088 637099998 /nfs/dbraw/zinc/09/99/98/637099998.db2.gz GDVUQOUYNRYMLN-ZDUSSCGKSA-N 1 0 245.391 3.684 20 0 BHADRO C[C@H](C[NH2+]CCc1ccsc1)c1ccccc1 ZINC000042249091 637100084 /nfs/dbraw/zinc/10/00/84/637100084.db2.gz GDVUQOUYNRYMLN-CYBMUJFWSA-N 1 0 245.391 3.684 20 0 BHADRO CCC1CCC([NH2+]CCc2ccsc2)CC1 ZINC000042249271 384634417 /nfs/dbraw/zinc/63/44/17/384634417.db2.gz YVKQAEKKPSBHGW-UHFFFAOYSA-N 1 0 237.412 3.849 20 0 BHADRO c1cc(CC[NH2+]C2CCCCCCC2)cs1 ZINC000042249278 643507225 /nfs/dbraw/zinc/50/72/25/643507225.db2.gz JBGDJNXWFYBNMP-UHFFFAOYSA-N 1 0 237.412 3.993 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CC2CCCC2)c1 ZINC000042249299 322837331 /nfs/dbraw/zinc/83/73/31/322837331.db2.gz PHPZEGDZHHNMGD-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000042249324 641549841 /nfs/dbraw/zinc/54/98/41/641549841.db2.gz IDZZTYZEVIOUAP-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)Cc2ccco2)c1 ZINC000042249329 643507436 /nfs/dbraw/zinc/50/74/36/643507436.db2.gz IDZZTYZEVIOUAP-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2cccc(F)c2)c1 ZINC000042249334 384635276 /nfs/dbraw/zinc/63/52/76/384635276.db2.gz YBKXHJJEEGIPGR-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CCC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000042254383 322974683 /nfs/dbraw/zinc/97/46/83/322974683.db2.gz UURDAGIOTNAJEV-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000042277062 168389880 /nfs/dbraw/zinc/38/98/80/168389880.db2.gz DQKZVKXVNPTEDT-UHFFFAOYSA-N 1 0 235.371 3.752 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C2(C)CCCC2)c1 ZINC000042295259 384640265 /nfs/dbraw/zinc/64/02/65/384640265.db2.gz YGEKSEIMAJIPBW-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000042319838 384641569 /nfs/dbraw/zinc/64/15/69/384641569.db2.gz LLFDECSZIGDVMW-ZIAGYGMSSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000042319842 322838595 /nfs/dbraw/zinc/83/85/95/322838595.db2.gz LLFDECSZIGDVMW-UONOGXRCSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000042319846 322838347 /nfs/dbraw/zinc/83/83/47/322838347.db2.gz LLFDECSZIGDVMW-KGLIPLIRSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000042319850 384643156 /nfs/dbraw/zinc/64/31/56/384643156.db2.gz LLFDECSZIGDVMW-KBPBESRZSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000042320435 384213104 /nfs/dbraw/zinc/21/31/04/384213104.db2.gz WBBRNGPWSAAXQP-HNNXBMFYSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000042320439 322837590 /nfs/dbraw/zinc/83/75/90/322837590.db2.gz WBBRNGPWSAAXQP-OAHLLOKOSA-N 1 0 219.372 3.828 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCc2ccsc2)c1 ZINC000042320755 187265935 /nfs/dbraw/zinc/26/59/35/187265935.db2.gz QHCUITNIEKRCDM-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000042321302 342995889 /nfs/dbraw/zinc/99/58/89/342995889.db2.gz FZPKQUOEYCBRKT-UHFFFAOYSA-N 1 0 229.367 3.582 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000042322953 168606984 /nfs/dbraw/zinc/60/69/84/168606984.db2.gz TULWFIVPMZIDJL-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000042322956 342995968 /nfs/dbraw/zinc/99/59/68/342995968.db2.gz TULWFIVPMZIDJL-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1nc(C[NH2+]C(C)(C)CC(C)(C)C)oc1C ZINC000042323635 358522000 /nfs/dbraw/zinc/52/20/00/358522000.db2.gz XIZWOQPUWGRAHI-UHFFFAOYSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000042325247 342996480 /nfs/dbraw/zinc/99/64/80/342996480.db2.gz SDQZOICVZPXUEI-BXUZGUMPSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000042325250 342996349 /nfs/dbraw/zinc/99/63/49/342996349.db2.gz SDQZOICVZPXUEI-SMDDNHRTSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000042325253 342996481 /nfs/dbraw/zinc/99/64/81/342996481.db2.gz SDQZOICVZPXUEI-RISCZKNCSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000042325256 342996451 /nfs/dbraw/zinc/99/64/51/342996451.db2.gz SDQZOICVZPXUEI-FZMZJTMJSA-N 1 0 219.372 3.828 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(C)sc1C ZINC000042325868 398323683 /nfs/dbraw/zinc/32/36/83/398323683.db2.gz PSLNXYOPCPIQPE-UHFFFAOYSA-N 1 0 211.374 3.643 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328120 342996465 /nfs/dbraw/zinc/99/64/65/342996465.db2.gz PSBRLRPJENMQIX-BXKDBHETSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328123 342996458 /nfs/dbraw/zinc/99/64/58/342996458.db2.gz PSBRLRPJENMQIX-JOYOIKCWSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328126 342996418 /nfs/dbraw/zinc/99/64/18/342996418.db2.gz PSBRLRPJENMQIX-SKDRFNHKSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328129 342996396 /nfs/dbraw/zinc/99/63/96/342996396.db2.gz PSBRLRPJENMQIX-CABZTGNLSA-N 1 0 209.358 3.587 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328131 342996281 /nfs/dbraw/zinc/99/62/81/342996281.db2.gz GDYRRTFUDDUNDY-CYBMUJFWSA-N 1 0 223.385 3.977 20 0 BHADRO CCC(CC)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328133 342996262 /nfs/dbraw/zinc/99/62/62/342996262.db2.gz GDYRRTFUDDUNDY-ZDUSSCGKSA-N 1 0 223.385 3.977 20 0 BHADRO CCCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328168 342996356 /nfs/dbraw/zinc/99/63/56/342996356.db2.gz GRJFPJRSBTUHEI-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CCCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328171 342996661 /nfs/dbraw/zinc/99/66/61/342996661.db2.gz GRJFPJRSBTUHEI-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328186 342996803 /nfs/dbraw/zinc/99/68/03/342996803.db2.gz PEHYPRLVVCSXPX-ZWNOBZJWSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328189 342996821 /nfs/dbraw/zinc/99/68/21/342996821.db2.gz PEHYPRLVVCSXPX-GXFFZTMASA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328192 342996577 /nfs/dbraw/zinc/99/65/77/342996577.db2.gz PEHYPRLVVCSXPX-MFKMUULPSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328195 342996817 /nfs/dbraw/zinc/99/68/17/342996817.db2.gz PEHYPRLVVCSXPX-GWCFXTLKSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042329368 342996768 /nfs/dbraw/zinc/99/67/68/342996768.db2.gz AMALRDUDNOQIHY-ZWNOBZJWSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042329371 342996850 /nfs/dbraw/zinc/99/68/50/342996850.db2.gz AMALRDUDNOQIHY-GXFFZTMASA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042329374 342996822 /nfs/dbraw/zinc/99/68/22/342996822.db2.gz AMALRDUDNOQIHY-MFKMUULPSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042329376 342996816 /nfs/dbraw/zinc/99/68/16/342996816.db2.gz AMALRDUDNOQIHY-GWCFXTLKSA-N 1 0 223.385 3.833 20 0 BHADRO c1csc([C@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC000042329430 398322460 /nfs/dbraw/zinc/32/24/60/398322460.db2.gz XOKLSRCXGLQNLT-CYBMUJFWSA-N 1 0 221.369 3.589 20 0 BHADRO c1csc([C@@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC000042329432 398322439 /nfs/dbraw/zinc/32/24/39/398322439.db2.gz XOKLSRCXGLQNLT-ZDUSSCGKSA-N 1 0 221.369 3.589 20 0 BHADRO c1csc([C@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC000042329434 342996636 /nfs/dbraw/zinc/99/66/36/342996636.db2.gz QCYVTLRXWQKVFA-CQSZACIVSA-N 1 0 235.396 3.979 20 0 BHADRO c1csc([C@@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC000042329436 342996762 /nfs/dbraw/zinc/99/67/62/342996762.db2.gz QCYVTLRXWQKVFA-AWEZNQCLSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CC1 ZINC000042329495 342996781 /nfs/dbraw/zinc/99/67/81/342996781.db2.gz FWMZJUMOKLSDFS-TVQRCGJNSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CC1 ZINC000042329498 342996640 /nfs/dbraw/zinc/99/66/40/342996640.db2.gz FWMZJUMOKLSDFS-NOZJJQNGSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)C1CC1 ZINC000042329501 342996823 /nfs/dbraw/zinc/99/68/23/342996823.db2.gz FWMZJUMOKLSDFS-ZANVPECISA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)C1CC1 ZINC000042329503 342996736 /nfs/dbraw/zinc/99/67/36/342996736.db2.gz FWMZJUMOKLSDFS-RNCFNFMXSA-N 1 0 221.369 3.587 20 0 BHADRO CCC1CCC([NH2+]Cc2ccc(C)o2)CC1 ZINC000042337540 343435030 /nfs/dbraw/zinc/43/50/30/343435030.db2.gz HZDMMCPKHDVAOY-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CCC1CCC([NH2+]Cc2ccsc2)CC1 ZINC000042337542 344450897 /nfs/dbraw/zinc/45/08/97/344450897.db2.gz WWWDQHIYROLNKJ-UHFFFAOYSA-N 1 0 223.385 3.807 20 0 BHADRO CCCC1CCC(Nc2ccccn2)CC1 ZINC000042337699 342996813 /nfs/dbraw/zinc/99/68/13/342996813.db2.gz GWMKTOWMNFEVMC-UHFFFAOYSA-N 1 0 218.344 3.852 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)o1)c1cccs1 ZINC000042342340 712720550 /nfs/dbraw/zinc/72/05/50/712720550.db2.gz GGGQRPPIVFOFDQ-LBPRGKRZSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1cccs1 ZINC000042342343 712720366 /nfs/dbraw/zinc/72/03/66/712720366.db2.gz GGGQRPPIVFOFDQ-GFCCVEGCSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)c1cccs1 ZINC000042342394 712720525 /nfs/dbraw/zinc/72/05/25/712720525.db2.gz QCMGBYRHXHHEPZ-NSHDSACASA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)c1cccs1 ZINC000042342397 712720524 /nfs/dbraw/zinc/72/05/24/712720524.db2.gz QCMGBYRHXHHEPZ-LLVKDONJSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1cccs1 ZINC000042342400 322837855 /nfs/dbraw/zinc/83/78/55/322837855.db2.gz MNYGOHBJPLYWOW-JTQLQIEISA-N 1 0 229.414 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1cccs1 ZINC000042342402 384637518 /nfs/dbraw/zinc/63/75/18/384637518.db2.gz MNYGOHBJPLYWOW-SNVBAGLBSA-N 1 0 229.414 3.542 20 0 BHADRO C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000042366077 368332573 /nfs/dbraw/zinc/33/25/73/368332573.db2.gz UOPSLIPFKZVXQY-UHFFFAOYSA-N 1 0 247.288 3.597 20 0 BHADRO CSc1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000042366327 188119269 /nfs/dbraw/zinc/11/92/69/188119269.db2.gz APBVFBMXPLVIBN-UHFFFAOYSA-N 1 0 247.363 3.634 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000042366679 368306106 /nfs/dbraw/zinc/30/61/06/368306106.db2.gz CTBZIVADKBWPRP-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1cccc(Cl)c1 ZINC000042366685 387628234 /nfs/dbraw/zinc/62/82/34/387628234.db2.gz KOWWPEQTLNOKHM-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)Cc2ccco2)c1 ZINC000042366715 323247067 /nfs/dbraw/zinc/24/70/67/323247067.db2.gz SMBCUIDFAZODAA-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1F ZINC000042371721 322837852 /nfs/dbraw/zinc/83/78/52/322837852.db2.gz SDXGXBOVACOAJX-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1F ZINC000042371722 384638902 /nfs/dbraw/zinc/63/89/02/384638902.db2.gz SDXGXBOVACOAJX-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000042371745 384639786 /nfs/dbraw/zinc/63/97/86/384639786.db2.gz GIFPULWGYCEDFR-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)Cc1ccsc1 ZINC000042371746 322837864 /nfs/dbraw/zinc/83/78/64/322837864.db2.gz GIFPULWGYCEDFR-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CC1CCCCC1 ZINC000042371747 384639814 /nfs/dbraw/zinc/63/98/14/384639814.db2.gz UIFQSFQMMAAYBH-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CC1CCCCC1 ZINC000042371748 384640436 /nfs/dbraw/zinc/64/04/36/384640436.db2.gz UIFQSFQMMAAYBH-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CCc1ccccc1 ZINC000042371753 323246971 /nfs/dbraw/zinc/24/69/71/323246971.db2.gz OJHDNZVEWAQPCZ-ZDUSSCGKSA-N 1 0 245.391 3.511 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CCc1ccccc1 ZINC000042371754 323246913 /nfs/dbraw/zinc/24/69/13/323246913.db2.gz OJHDNZVEWAQPCZ-CYBMUJFWSA-N 1 0 245.391 3.511 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccs1 ZINC000042371757 384639079 /nfs/dbraw/zinc/63/90/79/384639079.db2.gz TVCSXNNFZKLMAR-JTQLQIEISA-N 1 0 237.393 3.530 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]Cc1cccs1 ZINC000042371758 322837913 /nfs/dbraw/zinc/83/79/13/322837913.db2.gz TVCSXNNFZKLMAR-SNVBAGLBSA-N 1 0 237.393 3.530 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC=CCC1 ZINC000042371767 322837906 /nfs/dbraw/zinc/83/79/06/322837906.db2.gz SQAANKMQEVRMCI-STQMWFEESA-N 1 0 235.396 3.625 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC=CCC1 ZINC000042371768 384640605 /nfs/dbraw/zinc/64/06/05/384640605.db2.gz SQAANKMQEVRMCI-OLZOCXBDSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000042371769 322837860 /nfs/dbraw/zinc/83/78/60/322837860.db2.gz SQAANKMQEVRMCI-QWHCGFSZSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000042371770 384639931 /nfs/dbraw/zinc/63/99/31/384639931.db2.gz SQAANKMQEVRMCI-CHWSQXEVSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccsc1 ZINC000042371785 384638372 /nfs/dbraw/zinc/63/83/72/384638372.db2.gz LNFGHVZMVFSKII-JTQLQIEISA-N 1 0 237.393 3.530 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccsc1 ZINC000042371786 322837900 /nfs/dbraw/zinc/83/79/00/322837900.db2.gz LNFGHVZMVFSKII-SNVBAGLBSA-N 1 0 237.393 3.530 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)Cc1ccsc1 ZINC000042371787 322837827 /nfs/dbraw/zinc/83/78/27/322837827.db2.gz SVVJTSWEPFPLGZ-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)Cc1ccsc1 ZINC000042371788 322837822 /nfs/dbraw/zinc/83/78/22/322837822.db2.gz SVVJTSWEPFPLGZ-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1 ZINC000042371789 322837748 /nfs/dbraw/zinc/83/77/48/322837748.db2.gz VCBPGZREBULCHV-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cc1 ZINC000042371790 384639064 /nfs/dbraw/zinc/63/90/64/384639064.db2.gz VCBPGZREBULCHV-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccsc2)c1 ZINC000042371793 384637822 /nfs/dbraw/zinc/63/78/22/384637822.db2.gz DSTWSEAZXKKCGD-ZDUSSCGKSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)Cc2ccsc2)c1 ZINC000042371794 322837859 /nfs/dbraw/zinc/83/78/59/322837859.db2.gz DSTWSEAZXKKCGD-CYBMUJFWSA-N 1 0 245.391 3.777 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1CCCCCC1 ZINC000042371799 323247014 /nfs/dbraw/zinc/24/70/14/323247014.db2.gz SLJGMUOVRFJGMH-LBPRGKRZSA-N 1 0 237.412 3.992 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1CCCCCC1 ZINC000042371800 323247226 /nfs/dbraw/zinc/24/72/26/323247226.db2.gz SLJGMUOVRFJGMH-GFCCVEGCSA-N 1 0 237.412 3.992 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1CCCCC1 ZINC000042371803 322837904 /nfs/dbraw/zinc/83/79/04/322837904.db2.gz NXYRZZRUZIXLBH-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1CCCCC1 ZINC000042371804 384640451 /nfs/dbraw/zinc/64/04/51/384640451.db2.gz NXYRZZRUZIXLBH-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000042371815 322908463 /nfs/dbraw/zinc/90/84/63/322908463.db2.gz IZJIDVPMZNVZRZ-DYEKYZERSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000042371817 384640349 /nfs/dbraw/zinc/64/03/49/384640349.db2.gz IZJIDVPMZNVZRZ-MBNYWOFBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(F)cc1 ZINC000042371831 322838126 /nfs/dbraw/zinc/83/81/26/322838126.db2.gz PWFYLGWPTNPNDG-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(F)cc1 ZINC000042371832 322838129 /nfs/dbraw/zinc/83/81/29/322838129.db2.gz PWFYLGWPTNPNDG-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(F)c1 ZINC000042371845 384638718 /nfs/dbraw/zinc/63/87/18/384638718.db2.gz LIOCZYJJXUFAJP-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(F)c1 ZINC000042371846 322838151 /nfs/dbraw/zinc/83/81/51/322838151.db2.gz LIOCZYJJXUFAJP-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000042372940 170142684 /nfs/dbraw/zinc/14/26/84/170142684.db2.gz UKCQRQMZQGYGDR-JTQLQIEISA-N 1 0 246.379 3.789 20 0 BHADRO CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000042372941 170160082 /nfs/dbraw/zinc/16/00/82/170160082.db2.gz UKCQRQMZQGYGDR-SNVBAGLBSA-N 1 0 246.379 3.789 20 0 BHADRO CC1([NH2+]Cc2cccc3cccnc32)CCCC1 ZINC000042375821 168064688 /nfs/dbraw/zinc/06/46/88/168064688.db2.gz ZCSUSAPNPWETKL-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO Cc1cccc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000042396515 179146415 /nfs/dbraw/zinc/14/64/15/179146415.db2.gz CPBRVADXTVSWJN-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405300 322838130 /nfs/dbraw/zinc/83/81/30/322838130.db2.gz FLKHYGOXLROVSB-LLVKDONJSA-N 1 0 230.138 3.590 20 0 BHADRO CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405302 384639531 /nfs/dbraw/zinc/63/95/31/384639531.db2.gz FLKHYGOXLROVSB-NSHDSACASA-N 1 0 230.138 3.590 20 0 BHADRO CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405328 322838194 /nfs/dbraw/zinc/83/81/94/322838194.db2.gz AAOHMVTVXLFYJX-SNVBAGLBSA-N 1 0 230.138 3.590 20 0 BHADRO CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405330 384638546 /nfs/dbraw/zinc/63/85/46/384638546.db2.gz AAOHMVTVXLFYJX-JTQLQIEISA-N 1 0 230.138 3.590 20 0 BHADRO CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405391 384637866 /nfs/dbraw/zinc/63/78/66/384637866.db2.gz SKLFYUOKVANRER-SNVBAGLBSA-N 1 0 230.138 3.590 20 0 BHADRO CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405393 384637290 /nfs/dbraw/zinc/63/72/90/384637290.db2.gz SKLFYUOKVANRER-JTQLQIEISA-N 1 0 230.138 3.590 20 0 BHADRO CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405431 384638114 /nfs/dbraw/zinc/63/81/14/384638114.db2.gz GJXKAKCVILZOIA-GFCCVEGCSA-N 1 0 244.165 3.980 20 0 BHADRO CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405433 322974957 /nfs/dbraw/zinc/97/49/57/322974957.db2.gz GJXKAKCVILZOIA-LBPRGKRZSA-N 1 0 244.165 3.980 20 0 BHADRO CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405450 322838161 /nfs/dbraw/zinc/83/81/61/322838161.db2.gz NEWVJKMMYVORSJ-LLVKDONJSA-N 1 0 244.165 3.980 20 0 BHADRO CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405452 384791391 /nfs/dbraw/zinc/79/13/91/384791391.db2.gz NEWVJKMMYVORSJ-NSHDSACASA-N 1 0 244.165 3.980 20 0 BHADRO CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405501 322838235 /nfs/dbraw/zinc/83/82/35/322838235.db2.gz LPPWPRGSFDLAHL-LLVKDONJSA-N 1 0 244.165 3.980 20 0 BHADRO CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405503 322838218 /nfs/dbraw/zinc/83/82/18/322838218.db2.gz LPPWPRGSFDLAHL-NSHDSACASA-N 1 0 244.165 3.980 20 0 BHADRO CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000042413390 170144138 /nfs/dbraw/zinc/14/41/38/170144138.db2.gz FWGRINVAIUJYCI-NSHDSACASA-N 1 0 231.261 3.598 20 0 BHADRO CC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000042413391 170160940 /nfs/dbraw/zinc/16/09/40/170160940.db2.gz FWGRINVAIUJYCI-LLVKDONJSA-N 1 0 231.261 3.598 20 0 BHADRO CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000042413450 169278179 /nfs/dbraw/zinc/27/81/79/169278179.db2.gz DSWISMKEBROXKV-LBPRGKRZSA-N 1 0 245.288 3.988 20 0 BHADRO CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000042413451 169288217 /nfs/dbraw/zinc/28/82/17/169288217.db2.gz DSWISMKEBROXKV-GFCCVEGCSA-N 1 0 245.288 3.988 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cccc(N)c2)CC1 ZINC000042515132 352623238 /nfs/dbraw/zinc/62/32/38/352623238.db2.gz IIQINMOORRZSCI-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000042551222 322838894 /nfs/dbraw/zinc/83/88/94/322838894.db2.gz OLLCQRXMIDOFJC-TZMCWYRMSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000042551224 322838852 /nfs/dbraw/zinc/83/88/52/322838852.db2.gz OLLCQRXMIDOFJC-GXTWGEPZSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000042551227 322838855 /nfs/dbraw/zinc/83/88/55/322838855.db2.gz OLLCQRXMIDOFJC-OCCSQVGLSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000042551229 322838729 /nfs/dbraw/zinc/83/87/29/322838729.db2.gz OLLCQRXMIDOFJC-JSGCOSHPSA-N 1 0 219.372 3.828 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)CC ZINC000042551529 342999806 /nfs/dbraw/zinc/99/98/06/342999806.db2.gz IDHKKZJYDZRJRF-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)CC ZINC000042551532 342999926 /nfs/dbraw/zinc/99/99/26/342999926.db2.gz IDHKKZJYDZRJRF-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)CC ZINC000042551536 342999941 /nfs/dbraw/zinc/99/99/41/342999941.db2.gz IDHKKZJYDZRJRF-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CC ZINC000042551539 343000020 /nfs/dbraw/zinc/00/00/20/343000020.db2.gz IDHKKZJYDZRJRF-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000042551568 342999972 /nfs/dbraw/zinc/99/99/72/342999972.db2.gz NWRHVOBCDDTTRF-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000042551571 170547174 /nfs/dbraw/zinc/54/71/74/170547174.db2.gz NWRHVOBCDDTTRF-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000042551574 342999923 /nfs/dbraw/zinc/99/99/23/342999923.db2.gz NWRHVOBCDDTTRF-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000042551577 343000005 /nfs/dbraw/zinc/00/00/05/343000005.db2.gz NWRHVOBCDDTTRF-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000042551651 384641497 /nfs/dbraw/zinc/64/14/97/384641497.db2.gz WCECZGCKDZUNKK-STQMWFEESA-N 1 0 219.372 3.773 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000042551654 322838654 /nfs/dbraw/zinc/83/86/54/322838654.db2.gz WCECZGCKDZUNKK-QWHCGFSZSA-N 1 0 219.372 3.773 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000042551657 384643860 /nfs/dbraw/zinc/64/38/60/384643860.db2.gz WCECZGCKDZUNKK-OLZOCXBDSA-N 1 0 219.372 3.773 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000042551659 384643828 /nfs/dbraw/zinc/64/38/28/384643828.db2.gz WCECZGCKDZUNKK-CHWSQXEVSA-N 1 0 219.372 3.773 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1sccc1C ZINC000042551820 643134695 /nfs/dbraw/zinc/13/46/95/643134695.db2.gz QREPXAFDMKOFKN-MWLCHTKSSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1sccc1C ZINC000042551823 171366742 /nfs/dbraw/zinc/36/67/42/171366742.db2.gz QREPXAFDMKOFKN-GXSJLCMTSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1sccc1C ZINC000042551826 637283747 /nfs/dbraw/zinc/28/37/47/637283747.db2.gz QREPXAFDMKOFKN-KOLCDFICSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1sccc1C ZINC000042551829 171390684 /nfs/dbraw/zinc/39/06/84/171390684.db2.gz QREPXAFDMKOFKN-ONGXEEELSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000042551888 384643923 /nfs/dbraw/zinc/64/39/23/384643923.db2.gz RQJHTHXUHFISKN-ZJQBRPOHSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000042552031 171366495 /nfs/dbraw/zinc/36/64/95/171366495.db2.gz KBODXTVGCPDTNG-XQQFMLRXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000042552037 171390134 /nfs/dbraw/zinc/39/01/34/171390134.db2.gz KBODXTVGCPDTNG-AVGNSLFASA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000042552907 637283674 /nfs/dbraw/zinc/28/36/74/637283674.db2.gz JWUOCWQCQNAFDW-MWLCHTKSSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000042552910 171366016 /nfs/dbraw/zinc/36/60/16/171366016.db2.gz JWUOCWQCQNAFDW-GXSJLCMTSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000042552913 637283549 /nfs/dbraw/zinc/28/35/49/637283549.db2.gz JWUOCWQCQNAFDW-KOLCDFICSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000042552916 171389716 /nfs/dbraw/zinc/38/97/16/171389716.db2.gz JWUOCWQCQNAFDW-ONGXEEELSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000042552919 342999859 /nfs/dbraw/zinc/99/98/59/342999859.db2.gz LNYFWUUEHNCDFE-VXGBXAGGSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000042552922 171365532 /nfs/dbraw/zinc/36/55/32/171365532.db2.gz LNYFWUUEHNCDFE-NWDGAFQWSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000042552925 170790869 /nfs/dbraw/zinc/79/08/69/170790869.db2.gz LNYFWUUEHNCDFE-NEPJUHHUSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000042552928 322838650 /nfs/dbraw/zinc/83/86/50/322838650.db2.gz LNYFWUUEHNCDFE-RYUDHWBXSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000042552943 384643893 /nfs/dbraw/zinc/64/38/93/384643893.db2.gz IHYSSZBCFPSEEW-RKDXNWHRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000042552946 384643681 /nfs/dbraw/zinc/64/36/81/384643681.db2.gz IHYSSZBCFPSEEW-DTWKUNHWSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000042552949 322838703 /nfs/dbraw/zinc/83/87/03/322838703.db2.gz IHYSSZBCFPSEEW-BDAKNGLRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000042552952 322838774 /nfs/dbraw/zinc/83/87/74/322838774.db2.gz IHYSSZBCFPSEEW-IUCAKERBSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000042552955 170773783 /nfs/dbraw/zinc/77/37/83/170773783.db2.gz APRPAUFMCPIFLU-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000042552957 171365183 /nfs/dbraw/zinc/36/51/83/171365183.db2.gz APRPAUFMCPIFLU-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000042552960 170790893 /nfs/dbraw/zinc/79/08/93/170790893.db2.gz APRPAUFMCPIFLU-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000042552963 171389974 /nfs/dbraw/zinc/38/99/74/171389974.db2.gz APRPAUFMCPIFLU-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000042552978 169318525 /nfs/dbraw/zinc/31/85/25/169318525.db2.gz SXKYHMLCZXDRGX-KBPBESRZSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000042552981 169319374 /nfs/dbraw/zinc/31/93/74/169319374.db2.gz SXKYHMLCZXDRGX-UONOGXRCSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000042552984 169318844 /nfs/dbraw/zinc/31/88/44/169318844.db2.gz SXKYHMLCZXDRGX-KGLIPLIRSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000042552987 169319186 /nfs/dbraw/zinc/31/91/86/169319186.db2.gz SXKYHMLCZXDRGX-ZIAGYGMSSA-N 1 0 249.398 4.000 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000042553002 384643877 /nfs/dbraw/zinc/64/38/77/384643877.db2.gz RDRKUOFOJMRDRO-VXGBXAGGSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000042553005 384641401 /nfs/dbraw/zinc/64/14/01/384641401.db2.gz RDRKUOFOJMRDRO-NWDGAFQWSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000042553008 322838812 /nfs/dbraw/zinc/83/88/12/322838812.db2.gz RDRKUOFOJMRDRO-NEPJUHHUSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000042553011 384641936 /nfs/dbraw/zinc/64/19/36/384641936.db2.gz RDRKUOFOJMRDRO-RYUDHWBXSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000042553110 538978158 /nfs/dbraw/zinc/97/81/58/538978158.db2.gz WHWPCUHKNUQRSV-AEJSXWLSSA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000042553116 538978353 /nfs/dbraw/zinc/97/83/53/538978353.db2.gz WHWPCUHKNUQRSV-GUBZILKMSA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000042553119 342999990 /nfs/dbraw/zinc/99/99/90/342999990.db2.gz AFXCLVUXHTYVOD-ZWNOBZJWSA-N 1 0 235.371 3.533 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000042553122 171365219 /nfs/dbraw/zinc/36/52/19/171365219.db2.gz AFXCLVUXHTYVOD-GXFFZTMASA-N 1 0 235.371 3.533 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000042553125 343000029 /nfs/dbraw/zinc/00/00/29/343000029.db2.gz AFXCLVUXHTYVOD-MFKMUULPSA-N 1 0 235.371 3.533 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000042553128 171389740 /nfs/dbraw/zinc/38/97/40/171389740.db2.gz AFXCLVUXHTYVOD-GWCFXTLKSA-N 1 0 235.371 3.533 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042553449 342999823 /nfs/dbraw/zinc/99/98/23/342999823.db2.gz KUSDZXJZVBVFCV-KCNJBTMXSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042553451 171365012 /nfs/dbraw/zinc/36/50/12/171365012.db2.gz KUSDZXJZVBVFCV-LOCSVTFISA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042553454 342999832 /nfs/dbraw/zinc/99/98/32/342999832.db2.gz KUSDZXJZVBVFCV-SQHUISNBSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042553457 171388068 /nfs/dbraw/zinc/38/80/68/171388068.db2.gz KUSDZXJZVBVFCV-VRLRAXNCSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000042553687 171366573 /nfs/dbraw/zinc/36/65/73/171366573.db2.gz RUZUAGPCYQYYIR-AEJSXWLSSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000042553693 171390244 /nfs/dbraw/zinc/39/02/44/171390244.db2.gz RUZUAGPCYQYYIR-GUBZILKMSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000042553731 343000003 /nfs/dbraw/zinc/00/00/03/343000003.db2.gz SXBZRARFZSZQJJ-ZIAGYGMSSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000042553734 171366011 /nfs/dbraw/zinc/36/60/11/171366011.db2.gz SXBZRARFZSZQJJ-UONOGXRCSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000042553737 343000035 /nfs/dbraw/zinc/00/00/35/343000035.db2.gz SXBZRARFZSZQJJ-KGLIPLIRSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000042553740 171389345 /nfs/dbraw/zinc/38/93/45/171389345.db2.gz SXBZRARFZSZQJJ-KBPBESRZSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000042553982 322838695 /nfs/dbraw/zinc/83/86/95/322838695.db2.gz YPZKQYZLKTWPHQ-WOSRLPQWSA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000042553988 322838652 /nfs/dbraw/zinc/83/86/52/322838652.db2.gz YPZKQYZLKTWPHQ-HEHGZKQESA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000042554037 322838653 /nfs/dbraw/zinc/83/86/53/322838653.db2.gz GKKSEKPLQGKDPX-BXUZGUMPSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000042554040 322838701 /nfs/dbraw/zinc/83/87/01/322838701.db2.gz GKKSEKPLQGKDPX-SMDDNHRTSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000042554043 322838771 /nfs/dbraw/zinc/83/87/71/322838771.db2.gz GKKSEKPLQGKDPX-RISCZKNCSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000042554046 384643582 /nfs/dbraw/zinc/64/35/82/384643582.db2.gz GKKSEKPLQGKDPX-FZMZJTMJSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000042554135 171366985 /nfs/dbraw/zinc/36/69/85/171366985.db2.gz WIPLZVPAEURLED-XQQFMLRXSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000042554141 171390709 /nfs/dbraw/zinc/39/07/09/171390709.db2.gz WIPLZVPAEURLED-AVGNSLFASA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000042554207 171366902 /nfs/dbraw/zinc/36/69/02/171366902.db2.gz SWUNCBXGCIYIIJ-YWPYICTPSA-N 1 0 249.423 3.999 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000042554213 171390336 /nfs/dbraw/zinc/39/03/36/171390336.db2.gz SWUNCBXGCIYIIJ-SLEUVZQESA-N 1 0 249.423 3.999 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000042554394 169325486 /nfs/dbraw/zinc/32/54/86/169325486.db2.gz ZPCZQGSOOHXXRQ-KBPBESRZSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000042554397 169324764 /nfs/dbraw/zinc/32/47/64/169324764.db2.gz ZPCZQGSOOHXXRQ-UONOGXRCSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)[C@H](C)CC)c1 ZINC000042554400 169324691 /nfs/dbraw/zinc/32/46/91/169324691.db2.gz ZPCZQGSOOHXXRQ-KGLIPLIRSA-N 1 0 249.398 4.000 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000042554403 169325476 /nfs/dbraw/zinc/32/54/76/169325476.db2.gz ZPCZQGSOOHXXRQ-ZIAGYGMSSA-N 1 0 249.398 4.000 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000042554452 342999910 /nfs/dbraw/zinc/99/99/10/342999910.db2.gz KLKDLQWZGDOJAS-ZIAGYGMSSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000042554454 171365851 /nfs/dbraw/zinc/36/58/51/171365851.db2.gz KLKDLQWZGDOJAS-UONOGXRCSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000042554457 170790752 /nfs/dbraw/zinc/79/07/52/170790752.db2.gz KLKDLQWZGDOJAS-KGLIPLIRSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000042554461 171389477 /nfs/dbraw/zinc/38/94/77/171389477.db2.gz KLKDLQWZGDOJAS-KBPBESRZSA-N 1 0 249.398 3.998 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)s1 ZINC000042556292 322838893 /nfs/dbraw/zinc/83/88/93/322838893.db2.gz GRZQNZXDXRHWDS-QWRGUYRKSA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)s1 ZINC000042556295 322838844 /nfs/dbraw/zinc/83/88/44/322838844.db2.gz GRZQNZXDXRHWDS-WDEREUQCSA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)s1 ZINC000042556298 322838792 /nfs/dbraw/zinc/83/87/92/322838792.db2.gz GRZQNZXDXRHWDS-MNOVXSKESA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@H](C)CC)s1 ZINC000042556301 384643743 /nfs/dbraw/zinc/64/37/43/384643743.db2.gz GRZQNZXDXRHWDS-GHMZBOCLSA-N 1 0 225.401 3.835 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042556412 342999907 /nfs/dbraw/zinc/99/99/07/342999907.db2.gz LGKVBZAATTWQIB-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042556415 171365480 /nfs/dbraw/zinc/36/54/80/171365480.db2.gz LGKVBZAATTWQIB-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042556418 170791044 /nfs/dbraw/zinc/79/10/44/170791044.db2.gz LGKVBZAATTWQIB-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042556421 171389386 /nfs/dbraw/zinc/38/93/86/171389386.db2.gz LGKVBZAATTWQIB-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000042556424 358526661 /nfs/dbraw/zinc/52/66/61/358526661.db2.gz UTNCFPVWNZXQIE-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000042556427 171365455 /nfs/dbraw/zinc/36/54/55/171365455.db2.gz UTNCFPVWNZXQIE-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000042556430 170790917 /nfs/dbraw/zinc/79/09/17/170790917.db2.gz UTNCFPVWNZXQIE-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000042556433 171389638 /nfs/dbraw/zinc/38/96/38/171389638.db2.gz UTNCFPVWNZXQIE-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000042573937 637285231 /nfs/dbraw/zinc/28/52/31/637285231.db2.gz BDMSFFKCJXNKJN-CQSZACIVSA-N 1 0 234.387 3.657 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCNc1ccccc1 ZINC000042573940 637285246 /nfs/dbraw/zinc/28/52/46/637285246.db2.gz BDMSFFKCJXNKJN-AWEZNQCLSA-N 1 0 234.387 3.657 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)CC(C)(C)OC)CC1 ZINC000042577308 343000026 /nfs/dbraw/zinc/00/00/26/343000026.db2.gz CTGQRIHFZKIQAV-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO CCC1CCC([NH2+][C@H](C)CC(C)(C)OC)CC1 ZINC000042577310 342999826 /nfs/dbraw/zinc/99/98/26/342999826.db2.gz CTGQRIHFZKIQAV-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000042577312 322838798 /nfs/dbraw/zinc/83/87/98/322838798.db2.gz VJAVIBFMVKQCTM-HIFPTAJRSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000042577314 384642164 /nfs/dbraw/zinc/64/21/64/384642164.db2.gz VJAVIBFMVKQCTM-PNESKVBLSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2OC)CC1 ZINC000042577372 342999955 /nfs/dbraw/zinc/99/99/55/342999955.db2.gz GKDVNJWEHYOIMO-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCCC[C@@H]2OC)CC1 ZINC000042577374 343000018 /nfs/dbraw/zinc/00/00/18/343000018.db2.gz GKDVNJWEHYOIMO-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCCC[C@H]2OC)CC1 ZINC000042577377 342999841 /nfs/dbraw/zinc/99/98/41/342999841.db2.gz GKDVNJWEHYOIMO-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCCC[C@H]2OC)CC1 ZINC000042577379 168522526 /nfs/dbraw/zinc/52/25/26/168522526.db2.gz GKDVNJWEHYOIMO-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000042582213 637291017 /nfs/dbraw/zinc/29/10/17/637291017.db2.gz JRXQKAFFIDPMOD-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000042582216 637291382 /nfs/dbraw/zinc/29/13/82/637291382.db2.gz JRXQKAFFIDPMOD-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(Cl)nc1)C(C)C ZINC000042582370 637291097 /nfs/dbraw/zinc/29/10/97/637291097.db2.gz PLDBZBMDPKKZIQ-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](CC)C(C)C ZINC000042584653 343000460 /nfs/dbraw/zinc/00/04/60/343000460.db2.gz FJMPKEYXQGGAEP-AWEZNQCLSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](CC)C(C)C ZINC000042584656 343000366 /nfs/dbraw/zinc/00/03/66/343000366.db2.gz FJMPKEYXQGGAEP-CQSZACIVSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)C(C)C ZINC000042584733 384643410 /nfs/dbraw/zinc/64/34/10/384643410.db2.gz XCNIWZICABNMBF-NSHDSACASA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H]([NH2+]Cc1sccc1C)C(C)C ZINC000042584736 384642086 /nfs/dbraw/zinc/64/20/86/384642086.db2.gz XCNIWZICABNMBF-LLVKDONJSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000042584764 343000429 /nfs/dbraw/zinc/00/04/29/343000429.db2.gz JFDOKUTULJYZDQ-YUTCNCBUSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000042584770 384642438 /nfs/dbraw/zinc/64/24/38/384642438.db2.gz JFDOKUTULJYZDQ-UBHSHLNASA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)C(C)C ZINC000042585160 384643057 /nfs/dbraw/zinc/64/30/57/384643057.db2.gz PWJZQXVDBCYCQR-LBPRGKRZSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)s1)C(C)C ZINC000042585164 322839084 /nfs/dbraw/zinc/83/90/84/322839084.db2.gz PWJZQXVDBCYCQR-GFCCVEGCSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2ccccc2o1)C(C)C ZINC000042585168 358352797 /nfs/dbraw/zinc/35/27/97/358352797.db2.gz LIAPDFUCGOVOKR-AWEZNQCLSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2ccccc2o1)C(C)C ZINC000042585171 358352312 /nfs/dbraw/zinc/35/23/12/358352312.db2.gz LIAPDFUCGOVOKR-CQSZACIVSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)C ZINC000042585178 322839128 /nfs/dbraw/zinc/83/91/28/322839128.db2.gz LGHYPCNDBTVVGW-JTQLQIEISA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)C ZINC000042585181 384642458 /nfs/dbraw/zinc/64/24/58/384642458.db2.gz LGHYPCNDBTVVGW-SNVBAGLBSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(SC)cc1)C(C)C ZINC000042585207 322839000 /nfs/dbraw/zinc/83/90/00/322839000.db2.gz PLGCGZKKKFMKSI-AWEZNQCLSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)C(C)C ZINC000042585209 322838958 /nfs/dbraw/zinc/83/89/58/322838958.db2.gz PLGCGZKKKFMKSI-CQSZACIVSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H]([NH2+]C1CC(c2ccccc2)C1)C(C)C ZINC000042585743 171515573 /nfs/dbraw/zinc/51/55/73/171515573.db2.gz WDUUEYOPUVYSCJ-GPANFISMSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(C)C ZINC000042585746 384641892 /nfs/dbraw/zinc/64/18/92/384641892.db2.gz WDUUEYOPUVYSCJ-UYSNPLJNSA-N 1 0 231.383 3.957 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C(C)C)s1 ZINC000042589317 322975140 /nfs/dbraw/zinc/97/51/40/322975140.db2.gz JYPXDZOZTVSEQI-ZDUSSCGKSA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C(C)C)s1 ZINC000042589320 322975173 /nfs/dbraw/zinc/97/51/73/322975173.db2.gz JYPXDZOZTVSEQI-CYBMUJFWSA-N 1 0 225.401 3.835 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000042589376 171529973 /nfs/dbraw/zinc/52/99/73/171529973.db2.gz SQJXHRQRFWWBBK-HNNXBMFYSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000042589379 343000243 /nfs/dbraw/zinc/00/02/43/343000243.db2.gz SQJXHRQRFWWBBK-OAHLLOKOSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)CCC[C@@H](C)Nc1ccccn1 ZINC000042591340 384832787 /nfs/dbraw/zinc/83/27/87/384832787.db2.gz PZJVODPIBYMTNA-GFCCVEGCSA-N 1 0 206.333 3.708 20 0 BHADRO CC(C)CCC[C@H](C)Nc1ccccn1 ZINC000042591343 384830172 /nfs/dbraw/zinc/83/01/72/384830172.db2.gz PZJVODPIBYMTNA-LBPRGKRZSA-N 1 0 206.333 3.708 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ccsc1 ZINC000042598652 322838989 /nfs/dbraw/zinc/83/89/89/322838989.db2.gz RKRFPTBGTYCFJD-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ccsc1 ZINC000042598656 322839133 /nfs/dbraw/zinc/83/91/33/322839133.db2.gz RKRFPTBGTYCFJD-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1ccccc1 ZINC000042598819 387632946 /nfs/dbraw/zinc/63/29/46/387632946.db2.gz LJEUQRHKAAPNEJ-LBPRGKRZSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1ccccc1 ZINC000042598823 387632931 /nfs/dbraw/zinc/63/29/31/387632931.db2.gz LJEUQRHKAAPNEJ-GFCCVEGCSA-N 1 0 231.364 3.641 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccsc2)cc1 ZINC000042598842 384643165 /nfs/dbraw/zinc/64/31/65/384643165.db2.gz QMYWDKADEYPVON-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccsc2)cc1 ZINC000042598846 384641958 /nfs/dbraw/zinc/64/19/58/384641958.db2.gz QMYWDKADEYPVON-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1cccs1 ZINC000042598963 176855214 /nfs/dbraw/zinc/85/52/14/176855214.db2.gz NCXKNYHKPNNQSO-JTQLQIEISA-N 1 0 237.393 3.703 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1cccs1 ZINC000042598967 384835325 /nfs/dbraw/zinc/83/53/25/384835325.db2.gz NCXKNYHKPNNQSO-SNVBAGLBSA-N 1 0 237.393 3.703 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1ccccc1F ZINC000042598971 384642746 /nfs/dbraw/zinc/64/27/46/384642746.db2.gz JIESYNXFLOETMU-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1ccccc1F ZINC000042598976 175885717 /nfs/dbraw/zinc/88/57/17/175885717.db2.gz JIESYNXFLOETMU-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1 ZINC000042598998 384643689 /nfs/dbraw/zinc/64/36/89/384643689.db2.gz XYPYNNVNCMWZLN-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1 ZINC000042599002 175885992 /nfs/dbraw/zinc/88/59/92/175885992.db2.gz XYPYNNVNCMWZLN-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000042599078 387633551 /nfs/dbraw/zinc/63/35/51/387633551.db2.gz SZESDNGREKPEKV-HNNXBMFYSA-N 1 0 243.375 3.568 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCc3ccccc32)cs1 ZINC000042599083 387634535 /nfs/dbraw/zinc/63/45/35/387634535.db2.gz SZESDNGREKPEKV-OAHLLOKOSA-N 1 0 243.375 3.568 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccsc2)o1 ZINC000042599089 384231877 /nfs/dbraw/zinc/23/18/77/384231877.db2.gz WQGBLBKJCOFSLD-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccsc2)o1 ZINC000042599093 384229777 /nfs/dbraw/zinc/22/97/77/384229777.db2.gz WQGBLBKJCOFSLD-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCc1ccsc1 ZINC000042599270 179321041 /nfs/dbraw/zinc/32/10/41/179321041.db2.gz MQNBISABKVJVAH-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCc1ccsc1 ZINC000042599273 179337466 /nfs/dbraw/zinc/33/74/66/179337466.db2.gz MQNBISABKVJVAH-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1cccc(F)c1 ZINC000042599568 384641759 /nfs/dbraw/zinc/64/17/59/384641759.db2.gz CVVHOIXJUPBUTI-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1cccc(F)c1 ZINC000042599573 384643557 /nfs/dbraw/zinc/64/35/57/384643557.db2.gz CVVHOIXJUPBUTI-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO CCCC(CCC)[NH2+]CCc1ccsc1 ZINC000042599590 322839176 /nfs/dbraw/zinc/83/91/76/322839176.db2.gz SNDUYFOUYNVIHQ-UHFFFAOYSA-N 1 0 225.401 3.849 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCc1ccsc1 ZINC000042599592 322839002 /nfs/dbraw/zinc/83/90/02/322839002.db2.gz AXPPGXVTSGSJFO-GFCCVEGCSA-N 1 0 225.401 3.705 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCc1ccsc1 ZINC000042599596 322839092 /nfs/dbraw/zinc/83/90/92/322839092.db2.gz AXPPGXVTSGSJFO-LBPRGKRZSA-N 1 0 225.401 3.705 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1ccsc1 ZINC000042599819 637296285 /nfs/dbraw/zinc/29/62/85/637296285.db2.gz XSHXYUCIRIKRKL-GFCCVEGCSA-N 1 0 225.401 3.849 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1ccsc1 ZINC000042599823 643513091 /nfs/dbraw/zinc/51/30/91/643513091.db2.gz XSHXYUCIRIKRKL-LBPRGKRZSA-N 1 0 225.401 3.849 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccsc2)c(C)o1 ZINC000042599878 178226687 /nfs/dbraw/zinc/22/66/87/178226687.db2.gz NACCCILBLRGDKI-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccsc2)c(C)o1 ZINC000042599882 178249291 /nfs/dbraw/zinc/24/92/91/178249291.db2.gz NACCCILBLRGDKI-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)C1CCCCC1 ZINC000042600084 322839184 /nfs/dbraw/zinc/83/91/84/322839184.db2.gz VBGMIFGQQWEIMA-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)C1CCCCC1 ZINC000042600088 384642154 /nfs/dbraw/zinc/64/21/54/384642154.db2.gz VBGMIFGQQWEIMA-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCc2ccsc2)c1 ZINC000042600092 343000893 /nfs/dbraw/zinc/00/08/93/343000893.db2.gz LIEPZFOOUQLZAF-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCc2ccsc2)c1 ZINC000042600094 179196939 /nfs/dbraw/zinc/19/69/39/179196939.db2.gz LIEPZFOOUQLZAF-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(Cl)nc1)C(C)(C)C ZINC000042763681 641558059 /nfs/dbraw/zinc/55/80/59/641558059.db2.gz UQMDDWFQRIYTAZ-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(Cl)nc1)C(C)(C)C ZINC000042763685 641557389 /nfs/dbraw/zinc/55/73/89/641557389.db2.gz UQMDDWFQRIYTAZ-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c(C)c1 ZINC000042812574 178841566 /nfs/dbraw/zinc/84/15/66/178841566.db2.gz ZOFCOJCIXIKXCO-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)c(C)c1 ZINC000042812578 384642145 /nfs/dbraw/zinc/64/21/45/384642145.db2.gz ZOFCOJCIXIKXCO-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)c(C)c1 ZINC000042812582 384641901 /nfs/dbraw/zinc/64/19/01/384641901.db2.gz ZOFCOJCIXIKXCO-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)c(C)c1 ZINC000042812586 384641109 /nfs/dbraw/zinc/64/11/09/384641109.db2.gz ZOFCOJCIXIKXCO-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1C ZINC000042813245 384641581 /nfs/dbraw/zinc/64/15/81/384641581.db2.gz HYKKHZNQNLMLLP-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1C ZINC000042813250 384642120 /nfs/dbraw/zinc/64/21/20/384642120.db2.gz HYKKHZNQNLMLLP-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1C ZINC000042813255 178843593 /nfs/dbraw/zinc/84/35/93/178843593.db2.gz HYKKHZNQNLMLLP-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1C ZINC000042813260 384643649 /nfs/dbraw/zinc/64/36/49/384643649.db2.gz HYKKHZNQNLMLLP-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCCCO1 ZINC000042814451 342998817 /nfs/dbraw/zinc/99/88/17/342998817.db2.gz BSGNHSPRAATXEU-HNNXBMFYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCCCO1 ZINC000042814456 166778036 /nfs/dbraw/zinc/77/80/36/166778036.db2.gz BSGNHSPRAATXEU-OAHLLOKOSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000042829241 176077400 /nfs/dbraw/zinc/07/74/00/176077400.db2.gz DANMQHQMLVMDQI-TZMCWYRMSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000042829244 177079705 /nfs/dbraw/zinc/07/97/05/177079705.db2.gz DANMQHQMLVMDQI-GXTWGEPZSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000042829247 176085268 /nfs/dbraw/zinc/08/52/68/176085268.db2.gz DANMQHQMLVMDQI-OCCSQVGLSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000042829250 177086426 /nfs/dbraw/zinc/08/64/26/177086426.db2.gz DANMQHQMLVMDQI-JSGCOSHPSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)cc1 ZINC000042829265 343000934 /nfs/dbraw/zinc/00/09/34/343000934.db2.gz RVDLEELDAZPVMS-UKRRQHHQSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc1 ZINC000042829268 343000630 /nfs/dbraw/zinc/00/06/30/343000630.db2.gz RVDLEELDAZPVMS-DZGCQCFKSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cc1 ZINC000042829271 175107359 /nfs/dbraw/zinc/10/73/59/175107359.db2.gz RVDLEELDAZPVMS-HIFRSBDPSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cc1 ZINC000042829274 175107274 /nfs/dbraw/zinc/10/72/74/175107274.db2.gz RVDLEELDAZPVMS-ZFWWWQNUSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000042829301 175265363 /nfs/dbraw/zinc/26/53/63/175265363.db2.gz QZDIZACGWTXAIO-UKRRQHHQSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c1 ZINC000042829304 175265761 /nfs/dbraw/zinc/26/57/61/175265761.db2.gz QZDIZACGWTXAIO-DZGCQCFKSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000042829307 175264540 /nfs/dbraw/zinc/26/45/40/175264540.db2.gz QZDIZACGWTXAIO-HIFRSBDPSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c1 ZINC000042829310 175264436 /nfs/dbraw/zinc/26/44/36/175264436.db2.gz QZDIZACGWTXAIO-ZFWWWQNUSA-N 1 0 247.382 3.611 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000042829316 176077421 /nfs/dbraw/zinc/07/74/21/176077421.db2.gz RPAAUZAEKKIZMP-TZMCWYRMSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000042829319 177079718 /nfs/dbraw/zinc/07/97/18/177079718.db2.gz RPAAUZAEKKIZMP-GXTWGEPZSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000042829322 176085453 /nfs/dbraw/zinc/08/54/53/176085453.db2.gz RPAAUZAEKKIZMP-OCCSQVGLSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000042829325 177086027 /nfs/dbraw/zinc/08/60/27/177086027.db2.gz RPAAUZAEKKIZMP-JSGCOSHPSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042829328 175330603 /nfs/dbraw/zinc/33/06/03/175330603.db2.gz DYWZEWUEGMYFMX-ZIAGYGMSSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042829331 175329839 /nfs/dbraw/zinc/32/98/39/175329839.db2.gz DYWZEWUEGMYFMX-UONOGXRCSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042829334 188121506 /nfs/dbraw/zinc/12/15/06/188121506.db2.gz DYWZEWUEGMYFMX-KGLIPLIRSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042829337 343000728 /nfs/dbraw/zinc/00/07/28/343000728.db2.gz DYWZEWUEGMYFMX-KBPBESRZSA-N 1 0 247.382 3.611 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccco1 ZINC000042856480 384642395 /nfs/dbraw/zinc/64/23/95/384642395.db2.gz PLUAKBSWRRKOBE-FRRDWIJNSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccco1 ZINC000042856483 384643430 /nfs/dbraw/zinc/64/34/30/384643430.db2.gz PLUAKBSWRRKOBE-RWMBFGLXSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccco1 ZINC000042856485 384645629 /nfs/dbraw/zinc/64/56/29/384645629.db2.gz PLUAKBSWRRKOBE-AGIUHOORSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccco1 ZINC000042856488 322839400 /nfs/dbraw/zinc/83/94/00/322839400.db2.gz PLUAKBSWRRKOBE-AVGNSLFASA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000042856489 322839387 /nfs/dbraw/zinc/83/93/87/322839387.db2.gz PRCQUARYGDBIDE-BXUZGUMPSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000042856492 384646452 /nfs/dbraw/zinc/64/64/52/384646452.db2.gz PRCQUARYGDBIDE-SMDDNHRTSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000042856494 384645591 /nfs/dbraw/zinc/64/55/91/384645591.db2.gz PRCQUARYGDBIDE-RISCZKNCSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000042856497 384646779 /nfs/dbraw/zinc/64/67/79/384646779.db2.gz PRCQUARYGDBIDE-FZMZJTMJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000042856764 176868338 /nfs/dbraw/zinc/86/83/38/176868338.db2.gz UHTCNCICYCCAKY-VNHYZAJKSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000042856768 384645799 /nfs/dbraw/zinc/64/57/99/384645799.db2.gz UHTCNCICYCCAKY-KCQAQPDRSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000042856771 176860486 /nfs/dbraw/zinc/86/04/86/176860486.db2.gz UHTCNCICYCCAKY-IPYPFGDCSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000042856774 176860099 /nfs/dbraw/zinc/86/00/99/176860099.db2.gz UHTCNCICYCCAKY-YDHLFZDLSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000042856826 384871674 /nfs/dbraw/zinc/87/16/74/384871674.db2.gz NTCDHSMRPMZVHJ-VXGBXAGGSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000042856829 322975599 /nfs/dbraw/zinc/97/55/99/322975599.db2.gz NTCDHSMRPMZVHJ-NWDGAFQWSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccs1 ZINC000042856832 384871696 /nfs/dbraw/zinc/87/16/96/384871696.db2.gz NTCDHSMRPMZVHJ-NEPJUHHUSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccs1 ZINC000042856836 322975612 /nfs/dbraw/zinc/97/56/12/322975612.db2.gz NTCDHSMRPMZVHJ-RYUDHWBXSA-N 1 0 223.385 3.664 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)o1 ZINC000042856899 384647005 /nfs/dbraw/zinc/64/70/05/384647005.db2.gz HZBKKIOCXUUZLO-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)o1 ZINC000042856902 384646890 /nfs/dbraw/zinc/64/68/90/384646890.db2.gz HZBKKIOCXUUZLO-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)o1 ZINC000042856905 322839233 /nfs/dbraw/zinc/83/92/33/322839233.db2.gz HZBKKIOCXUUZLO-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)o1 ZINC000042856909 384647072 /nfs/dbraw/zinc/64/70/72/384647072.db2.gz HZBKKIOCXUUZLO-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042856930 384646425 /nfs/dbraw/zinc/64/64/25/384646425.db2.gz WUHHHBZXBMEEBI-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042856933 322839232 /nfs/dbraw/zinc/83/92/32/322839232.db2.gz WUHHHBZXBMEEBI-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042856935 322839276 /nfs/dbraw/zinc/83/92/76/322839276.db2.gz WUHHHBZXBMEEBI-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042856938 384646491 /nfs/dbraw/zinc/64/64/91/384646491.db2.gz WUHHHBZXBMEEBI-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000042856952 322839398 /nfs/dbraw/zinc/83/93/98/322839398.db2.gz KZOSYOZFFKUMSN-DGCLKSJQSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000042856955 322839345 /nfs/dbraw/zinc/83/93/45/322839345.db2.gz KZOSYOZFFKUMSN-WCQYABFASA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000042856957 384645784 /nfs/dbraw/zinc/64/57/84/384645784.db2.gz KZOSYOZFFKUMSN-YPMHNXCESA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000042856960 384646756 /nfs/dbraw/zinc/64/67/56/384646756.db2.gz KZOSYOZFFKUMSN-AAEUAGOBSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000042857164 384247097 /nfs/dbraw/zinc/24/70/97/384247097.db2.gz BXOQDAVCQATKRG-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000042857167 384247088 /nfs/dbraw/zinc/24/70/88/384247088.db2.gz BXOQDAVCQATKRG-MELADBBJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000042857170 384248632 /nfs/dbraw/zinc/24/86/32/384248632.db2.gz BXOQDAVCQATKRG-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000042857173 384246987 /nfs/dbraw/zinc/24/69/87/384246987.db2.gz BXOQDAVCQATKRG-IHRRRGAJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000042857175 387637833 /nfs/dbraw/zinc/63/78/33/387637833.db2.gz PKQAMPLVUMZWFK-VNHYZAJKSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000042857178 176867911 /nfs/dbraw/zinc/86/79/11/176867911.db2.gz PKQAMPLVUMZWFK-KCQAQPDRSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000042857181 387638669 /nfs/dbraw/zinc/63/86/69/387638669.db2.gz PKQAMPLVUMZWFK-IPYPFGDCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000042857184 387639904 /nfs/dbraw/zinc/63/99/04/387639904.db2.gz PKQAMPLVUMZWFK-YDHLFZDLSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cccnc1 ZINC000042857186 518183226 /nfs/dbraw/zinc/18/32/26/518183226.db2.gz ZAZNOGYMKHQRNZ-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1cccnc1 ZINC000042857188 176867748 /nfs/dbraw/zinc/86/77/48/176867748.db2.gz ZAZNOGYMKHQRNZ-MELADBBJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1cccnc1 ZINC000042857191 384248165 /nfs/dbraw/zinc/24/81/65/384248165.db2.gz ZAZNOGYMKHQRNZ-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cccnc1 ZINC000042857194 384248669 /nfs/dbraw/zinc/24/86/69/384248669.db2.gz ZAZNOGYMKHQRNZ-IHRRRGAJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC000042857467 176077398 /nfs/dbraw/zinc/07/73/98/176077398.db2.gz IEXYNUGRKLFJJV-CHWSQXEVSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC000042857471 177080156 /nfs/dbraw/zinc/08/01/56/177080156.db2.gz IEXYNUGRKLFJJV-QWHCGFSZSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC000042857475 176085957 /nfs/dbraw/zinc/08/59/57/176085957.db2.gz IEXYNUGRKLFJJV-OLZOCXBDSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC000042857480 177086386 /nfs/dbraw/zinc/08/63/86/177086386.db2.gz IEXYNUGRKLFJJV-STQMWFEESA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000042857489 384646112 /nfs/dbraw/zinc/64/61/12/384646112.db2.gz NVDSMPJHXBDWRF-UKRRQHHQSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000042857492 384646823 /nfs/dbraw/zinc/64/68/23/384646823.db2.gz NVDSMPJHXBDWRF-DZGCQCFKSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000042857494 384646435 /nfs/dbraw/zinc/64/64/35/384646435.db2.gz NVDSMPJHXBDWRF-HIFRSBDPSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000042857497 384646478 /nfs/dbraw/zinc/64/64/78/384646478.db2.gz NVDSMPJHXBDWRF-ZFWWWQNUSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000042857513 322839274 /nfs/dbraw/zinc/83/92/74/322839274.db2.gz YRKONZWHWMLGIC-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000042857517 384645198 /nfs/dbraw/zinc/64/51/98/384645198.db2.gz YRKONZWHWMLGIC-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000042857520 384647019 /nfs/dbraw/zinc/64/70/19/384647019.db2.gz YRKONZWHWMLGIC-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000042857522 384645717 /nfs/dbraw/zinc/64/57/17/384645717.db2.gz YRKONZWHWMLGIC-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)s1 ZINC000042857680 384646024 /nfs/dbraw/zinc/64/60/24/384646024.db2.gz YFPPSWDEIIRNTB-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)s1 ZINC000042857682 322839222 /nfs/dbraw/zinc/83/92/22/322839222.db2.gz YFPPSWDEIIRNTB-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)s1 ZINC000042857685 322839385 /nfs/dbraw/zinc/83/93/85/322839385.db2.gz YFPPSWDEIIRNTB-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)s1 ZINC000042857687 384647053 /nfs/dbraw/zinc/64/70/53/384647053.db2.gz YFPPSWDEIIRNTB-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042857931 343002109 /nfs/dbraw/zinc/00/21/09/343002109.db2.gz VDMSXUBYSCZAEX-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042857934 343002146 /nfs/dbraw/zinc/00/21/46/343002146.db2.gz VDMSXUBYSCZAEX-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042857936 343002270 /nfs/dbraw/zinc/00/22/70/343002270.db2.gz VDMSXUBYSCZAEX-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042857939 173949130 /nfs/dbraw/zinc/94/91/30/173949130.db2.gz VDMSXUBYSCZAEX-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1(C)CC1 ZINC000042857995 384647141 /nfs/dbraw/zinc/64/71/41/384647141.db2.gz GNJXZTLKLWQOJW-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1(C)CC1 ZINC000042858000 384647222 /nfs/dbraw/zinc/64/72/22/384647222.db2.gz GNJXZTLKLWQOJW-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000042858086 384646414 /nfs/dbraw/zinc/64/64/14/384646414.db2.gz DZMNMFPJWBHMOJ-GHMZBOCLSA-N 1 0 241.762 3.849 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000042858088 384645635 /nfs/dbraw/zinc/64/56/35/384645635.db2.gz DZMNMFPJWBHMOJ-WDEREUQCSA-N 1 0 241.762 3.849 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000042858091 384645571 /nfs/dbraw/zinc/64/55/71/384645571.db2.gz DZMNMFPJWBHMOJ-MNOVXSKESA-N 1 0 241.762 3.849 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000042858093 384646766 /nfs/dbraw/zinc/64/67/66/384646766.db2.gz DZMNMFPJWBHMOJ-QWRGUYRKSA-N 1 0 241.762 3.849 20 0 BHADRO CCCC[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000042893502 712720799 /nfs/dbraw/zinc/72/07/99/712720799.db2.gz TXAZTYDYTHZAOE-UHFFFAOYSA-N 1 0 217.312 3.631 20 0 BHADRO Cc1ccc2oc(C[NH2+]C3CCCC3)cc2c1 ZINC000042893506 343001935 /nfs/dbraw/zinc/00/19/35/343001935.db2.gz NECOOGJTNIUZSG-UHFFFAOYSA-N 1 0 229.323 3.773 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000042893542 358361527 /nfs/dbraw/zinc/36/15/27/358361527.db2.gz UTYBBMUAVIRMNO-LLVKDONJSA-N 1 0 217.312 3.629 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000042893546 358361434 /nfs/dbraw/zinc/36/14/34/358361434.db2.gz UTYBBMUAVIRMNO-NSHDSACASA-N 1 0 217.312 3.629 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000042895760 384646799 /nfs/dbraw/zinc/64/67/99/384646799.db2.gz OFXHNRDBGYYFIV-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000042895763 384645811 /nfs/dbraw/zinc/64/58/11/384645811.db2.gz OFXHNRDBGYYFIV-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO C[NH+](Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000042977300 348983196 /nfs/dbraw/zinc/98/31/96/348983196.db2.gz TZSHTDOQJWAFMF-UHFFFAOYSA-N 1 0 247.288 3.597 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)o1 ZINC000042978232 348988735 /nfs/dbraw/zinc/98/87/35/348988735.db2.gz CMLMRGRGMDSWPF-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)o1 ZINC000042978236 348988917 /nfs/dbraw/zinc/98/89/17/348988917.db2.gz VNDRYQRXSQAHKQ-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000042978258 348988542 /nfs/dbraw/zinc/98/85/42/348988542.db2.gz HRNMIJQFFNXYEJ-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cccc(C[NH2+]C2(C)CCCC2)c1C ZINC000043314307 322839497 /nfs/dbraw/zinc/83/94/97/322839497.db2.gz JGFYZOQRUWQAMR-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000043321739 384642512 /nfs/dbraw/zinc/64/25/12/384642512.db2.gz RWMPEKKOATUAFP-UHFFFAOYSA-N 1 0 247.313 3.894 20 0 BHADRO Fc1cc(C[NH2+]C2CCCCC2)ccc1Cl ZINC000043388193 343001140 /nfs/dbraw/zinc/00/11/40/343001140.db2.gz IQMGMGXDRPVLAN-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388196 168298623 /nfs/dbraw/zinc/29/86/23/168298623.db2.gz OMUNVMSGUKVCPE-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO Fc1cc(C[NH2+]C2CCCC2)ccc1Cl ZINC000043388207 343469348 /nfs/dbraw/zinc/46/93/48/343469348.db2.gz DTVMAYJCIQLHCG-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388209 168389890 /nfs/dbraw/zinc/38/98/90/168389890.db2.gz MIYCTJLPWMKQOC-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO Fc1cc(C[NH2+]Cc2ccccc2)ccc1Cl ZINC000043388219 343001325 /nfs/dbraw/zinc/00/13/25/343001325.db2.gz MVZYJPHIGHUCME-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388227 343469141 /nfs/dbraw/zinc/46/91/41/343469141.db2.gz LLBGYJPBKPRRON-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388233 342793659 /nfs/dbraw/zinc/79/36/59/342793659.db2.gz JBEAVVRGBPRHBA-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388235 342793642 /nfs/dbraw/zinc/79/36/42/342793642.db2.gz JBEAVVRGBPRHBA-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388287 384270380 /nfs/dbraw/zinc/27/03/80/384270380.db2.gz VLUXDTZECXXYEN-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO Fc1cc(C[NH2+]CC2CCCC2)ccc1Cl ZINC000043388786 322839130 /nfs/dbraw/zinc/83/91/30/322839130.db2.gz BPHRHOBKHAIKFL-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043389947 322839158 /nfs/dbraw/zinc/83/91/58/322839158.db2.gz VXESYBZIKXXFAM-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)c(F)c2)CCCC1 ZINC000043389999 322838954 /nfs/dbraw/zinc/83/89/54/322838954.db2.gz GUATWMUOZZWKLA-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CC1CCCC1 ZINC000043434702 384646145 /nfs/dbraw/zinc/64/61/45/384646145.db2.gz QZBRHXXKDWISCQ-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO CCCCOCC[NH2+]C(C)(C)CC(C)(C)C ZINC000043434704 322839402 /nfs/dbraw/zinc/83/94/02/322839402.db2.gz WSCGUVPUTIBBPF-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO CC(C)CCOCC[NH2+]C(C)(C)CC(C)(C)C ZINC000043434706 322839389 /nfs/dbraw/zinc/83/93/89/322839389.db2.gz VAIAMCSNBMZIPG-UHFFFAOYSA-N 1 0 243.435 3.854 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1nc(C)cs1 ZINC000043454872 641564073 /nfs/dbraw/zinc/56/40/73/641564073.db2.gz WACYPXCGUDXFPS-GFCCVEGCSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1nc(C)cs1 ZINC000043454874 641563384 /nfs/dbraw/zinc/56/33/84/641563384.db2.gz WACYPXCGUDXFPS-LBPRGKRZSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000043511816 641566448 /nfs/dbraw/zinc/56/64/48/641566448.db2.gz UGIUSIKTBHNBQR-UHFFFAOYSA-N 1 0 235.302 3.770 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]CC(C)C ZINC000043511820 358539943 /nfs/dbraw/zinc/53/99/43/358539943.db2.gz GZYGJGDCDJGEJH-UHFFFAOYSA-N 1 0 235.302 3.626 20 0 BHADRO CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000043512138 384646405 /nfs/dbraw/zinc/64/64/05/384646405.db2.gz VBYIDUAJIFHMLP-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000043512139 322839336 /nfs/dbraw/zinc/83/93/36/322839336.db2.gz VBYIDUAJIFHMLP-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO c1ccc2c(c1)ccnc2C[NH2+]C1CCCCC1 ZINC000043512612 384646627 /nfs/dbraw/zinc/64/66/27/384646627.db2.gz SQMUEJXQBUTYPG-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccco1)c1ccccc1 ZINC000043532482 322839909 /nfs/dbraw/zinc/83/99/09/322839909.db2.gz OEPODGAOFJRSTK-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccco1)c1ccccc1 ZINC000043532484 384649981 /nfs/dbraw/zinc/64/99/81/384649981.db2.gz OEPODGAOFJRSTK-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO CCC(C)(C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532529 322839939 /nfs/dbraw/zinc/83/99/39/322839939.db2.gz WZDZRHYFTXIXKH-CYBMUJFWSA-N 1 0 219.372 3.958 20 0 BHADRO CCC(C)(C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532532 384648519 /nfs/dbraw/zinc/64/85/19/384648519.db2.gz WZDZRHYFTXIXKH-ZDUSSCGKSA-N 1 0 219.372 3.958 20 0 BHADRO C[C@@H](CC[NH2+]C1CCCC1)c1ccccc1 ZINC000043532557 638515701 /nfs/dbraw/zinc/51/57/01/638515701.db2.gz YLYVUIWMNFJLKJ-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO C[C@H](CC[NH2+]C1CCCC1)c1ccccc1 ZINC000043532559 638515971 /nfs/dbraw/zinc/51/59/71/638515971.db2.gz YLYVUIWMNFJLKJ-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CCC(CC)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532560 384649806 /nfs/dbraw/zinc/64/98/06/384649806.db2.gz LZLZFIUVOWYTJT-CYBMUJFWSA-N 1 0 219.372 3.958 20 0 BHADRO CCC(CC)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532562 322839900 /nfs/dbraw/zinc/83/99/00/322839900.db2.gz LZLZFIUVOWYTJT-ZDUSSCGKSA-N 1 0 219.372 3.958 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000043532582 322839990 /nfs/dbraw/zinc/83/99/90/322839990.db2.gz NWKISOHKBBZJAG-HNNXBMFYSA-N 1 0 239.362 3.970 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000043532583 322839906 /nfs/dbraw/zinc/83/99/06/322839906.db2.gz NWKISOHKBBZJAG-OAHLLOKOSA-N 1 0 239.362 3.970 20 0 BHADRO CCCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532598 322839945 /nfs/dbraw/zinc/83/99/45/322839945.db2.gz ZXNXSCNLWURNPM-CQSZACIVSA-N 1 0 219.372 3.960 20 0 BHADRO CCCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532600 384649277 /nfs/dbraw/zinc/64/92/77/384649277.db2.gz ZXNXSCNLWURNPM-AWEZNQCLSA-N 1 0 219.372 3.960 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532606 384649664 /nfs/dbraw/zinc/64/96/64/384649664.db2.gz SAQUOBGXPFIKNM-ZIAGYGMSSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532608 384648146 /nfs/dbraw/zinc/64/81/46/384648146.db2.gz SAQUOBGXPFIKNM-KGLIPLIRSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532611 384650063 /nfs/dbraw/zinc/65/00/63/384650063.db2.gz SAQUOBGXPFIKNM-UONOGXRCSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532612 384649448 /nfs/dbraw/zinc/64/94/48/384649448.db2.gz SAQUOBGXPFIKNM-KBPBESRZSA-N 1 0 219.372 3.958 20 0 BHADRO CC(C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532675 384649905 /nfs/dbraw/zinc/64/99/05/384649905.db2.gz YZNCXIAZDHGHIC-CQSZACIVSA-N 1 0 219.372 3.816 20 0 BHADRO CC(C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532678 384648119 /nfs/dbraw/zinc/64/81/19/384648119.db2.gz YZNCXIAZDHGHIC-AWEZNQCLSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@@H](CC[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000043532953 384648394 /nfs/dbraw/zinc/64/83/94/384648394.db2.gz RGXWTNCDCAQBKN-ZDUSSCGKSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000043532955 384649791 /nfs/dbraw/zinc/64/97/91/384649791.db2.gz RGXWTNCDCAQBKN-CYBMUJFWSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)OCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533279 167220776 /nfs/dbraw/zinc/22/07/76/167220776.db2.gz DCUUIUWZCYIDST-OAHLLOKOSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)OCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533280 167221626 /nfs/dbraw/zinc/22/16/26/167221626.db2.gz DCUUIUWZCYIDST-HNNXBMFYSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533329 384649218 /nfs/dbraw/zinc/64/92/18/384649218.db2.gz KAJPEMORRADKQS-ZIAGYGMSSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533331 384648979 /nfs/dbraw/zinc/64/89/79/384648979.db2.gz KAJPEMORRADKQS-KGLIPLIRSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533333 322839793 /nfs/dbraw/zinc/83/97/93/322839793.db2.gz KAJPEMORRADKQS-UONOGXRCSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533335 384649652 /nfs/dbraw/zinc/64/96/52/384649652.db2.gz KAJPEMORRADKQS-KBPBESRZSA-N 1 0 219.372 3.814 20 0 BHADRO C[C@@H](CC[NH2+]CC1CCC1)c1ccccc1 ZINC000043533358 384649490 /nfs/dbraw/zinc/64/94/90/384649490.db2.gz VMJQZLRNWYDPFO-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H](CC[NH2+]CC1CCC1)c1ccccc1 ZINC000043533360 384650046 /nfs/dbraw/zinc/65/00/46/384650046.db2.gz VMJQZLRNWYDPFO-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@@H](CC[NH2+]CCc1ccco1)c1ccccc1 ZINC000043533415 384650073 /nfs/dbraw/zinc/65/00/73/384650073.db2.gz LNIRUIBOKNQVMD-AWEZNQCLSA-N 1 0 243.350 3.606 20 0 BHADRO C[C@H](CC[NH2+]CCc1ccco1)c1ccccc1 ZINC000043533417 384648759 /nfs/dbraw/zinc/64/87/59/384648759.db2.gz LNIRUIBOKNQVMD-CQSZACIVSA-N 1 0 243.350 3.606 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000043533418 352639983 /nfs/dbraw/zinc/63/99/83/352639983.db2.gz WMUBKJQQSSLOEX-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000043533420 386711023 /nfs/dbraw/zinc/71/10/23/386711023.db2.gz WMUBKJQQSSLOEX-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000043533422 352640181 /nfs/dbraw/zinc/64/01/81/352640181.db2.gz WMUBKJQQSSLOEX-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000043533424 352640323 /nfs/dbraw/zinc/64/03/23/352640323.db2.gz WMUBKJQQSSLOEX-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](CC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000043534238 384648088 /nfs/dbraw/zinc/64/80/88/384648088.db2.gz FPDVDXSOYRRDPR-ZDUSSCGKSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@H](CC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000043534240 322840229 /nfs/dbraw/zinc/84/02/29/322840229.db2.gz FPDVDXSOYRRDPR-CYBMUJFWSA-N 1 0 219.372 3.816 20 0 BHADRO CCCCOCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534244 322840233 /nfs/dbraw/zinc/84/02/33/322840233.db2.gz MRYMQNVQJVNIRT-OAHLLOKOSA-N 1 0 249.398 3.587 20 0 BHADRO CCCCOCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000043534246 384648931 /nfs/dbraw/zinc/64/89/31/384648931.db2.gz MRYMQNVQJVNIRT-HNNXBMFYSA-N 1 0 249.398 3.587 20 0 BHADRO CC[NH2+][C@@H](CC)c1ccccc1Br ZINC000043560838 170143846 /nfs/dbraw/zinc/14/38/46/170143846.db2.gz KEQMBZVSEHHBIH-NSHDSACASA-N 1 0 242.160 3.510 20 0 BHADRO CC[NH2+][C@H](CC)c1ccccc1Br ZINC000043560839 170161774 /nfs/dbraw/zinc/16/17/74/170161774.db2.gz KEQMBZVSEHHBIH-LLVKDONJSA-N 1 0 242.160 3.510 20 0 BHADRO Cc1cc[nH+]c(NCCSc2ccccc2)c1 ZINC000043561522 179445727 /nfs/dbraw/zinc/44/57/27/179445727.db2.gz ULECSBYLCPDAEY-UHFFFAOYSA-N 1 0 244.363 3.594 20 0 BHADRO Cc1cc[nH+]c(NCCc2ccc(Cl)cc2)c1 ZINC000043561608 386710973 /nfs/dbraw/zinc/71/09/73/386710973.db2.gz MRANOAATBPNWPR-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000043566560 167007483 /nfs/dbraw/zinc/00/74/83/167007483.db2.gz OWFHJZSXAIDEDT-UHFFFAOYSA-N 1 0 249.251 3.590 20 0 BHADRO CCCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000043566561 384286303 /nfs/dbraw/zinc/28/63/03/384286303.db2.gz YCZUIABMDQWMHS-UHFFFAOYSA-N 1 0 249.251 3.734 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000043566572 641568689 /nfs/dbraw/zinc/56/86/89/641568689.db2.gz CNKDXSGUWPURSH-MRVPVSSYSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000043566573 171343304 /nfs/dbraw/zinc/34/33/04/171343304.db2.gz CNKDXSGUWPURSH-QMMMGPOBSA-N 1 0 249.251 3.733 20 0 BHADRO CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000043610962 322839805 /nfs/dbraw/zinc/83/98/05/322839805.db2.gz FCVMVDHLWIECDE-AWEZNQCLSA-N 1 0 221.344 3.819 20 0 BHADRO c1ccc(C[NH+](Cc2ccccc2)C2CC2)cc1 ZINC000043643048 368404391 /nfs/dbraw/zinc/40/43/91/368404391.db2.gz OOOAXKREAGDCBJ-UHFFFAOYSA-N 1 0 237.346 3.851 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccccc1)C1CC1 ZINC000043643342 368405195 /nfs/dbraw/zinc/40/51/95/368405195.db2.gz HDRCWEMBVOMEIZ-UHFFFAOYSA-N 1 0 215.340 3.617 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]C1CCCC1 ZINC000044242663 358547319 /nfs/dbraw/zinc/54/73/19/358547319.db2.gz KFIPVIIQYBNJQS-UHFFFAOYSA-N 1 0 247.313 3.913 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000044242675 170754898 /nfs/dbraw/zinc/75/48/98/170754898.db2.gz BIBMHHLIZVMTDS-SECBINFHSA-N 1 0 235.302 3.768 20 0 BHADRO CC[C@H](C)[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000044242677 171344470 /nfs/dbraw/zinc/34/44/70/171344470.db2.gz BIBMHHLIZVMTDS-VIFPVBQESA-N 1 0 235.302 3.768 20 0 BHADRO CC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000044267597 322840365 /nfs/dbraw/zinc/84/03/65/322840365.db2.gz BDXOUFQUMAMCNG-QMMMGPOBSA-N 1 0 232.154 3.534 20 0 BHADRO CC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000044267601 322840278 /nfs/dbraw/zinc/84/02/78/322840278.db2.gz BDXOUFQUMAMCNG-MRVPVSSYSA-N 1 0 232.154 3.534 20 0 BHADRO CCC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000044267654 385202898 /nfs/dbraw/zinc/20/28/98/385202898.db2.gz YLXWGZFJJYDXTQ-VIFPVBQESA-N 1 0 246.181 3.924 20 0 BHADRO CCC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000044267658 384652527 /nfs/dbraw/zinc/65/25/27/384652527.db2.gz YLXWGZFJJYDXTQ-SECBINFHSA-N 1 0 246.181 3.924 20 0 BHADRO Clc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000044289951 343006392 /nfs/dbraw/zinc/00/63/92/343006392.db2.gz OGNAFDJFFMIPRQ-LBPRGKRZSA-N 1 0 235.758 3.786 20 0 BHADRO Clc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000044289955 180590669 /nfs/dbraw/zinc/59/06/69/180590669.db2.gz OGNAFDJFFMIPRQ-GFCCVEGCSA-N 1 0 235.758 3.786 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C)cc1 ZINC000044299449 343497836 /nfs/dbraw/zinc/49/78/36/343497836.db2.gz ARJDLRAKPLELKA-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C)cc1 ZINC000044299453 170901413 /nfs/dbraw/zinc/90/14/13/170901413.db2.gz ARJDLRAKPLELKA-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC000044299465 322841222 /nfs/dbraw/zinc/84/12/22/322841222.db2.gz GLNSJTOGVCJMQP-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC000044299469 384654031 /nfs/dbraw/zinc/65/40/31/384654031.db2.gz GLNSJTOGVCJMQP-OAHLLOKOSA-N 1 0 244.338 3.614 20 0 BHADRO Clc1ccc(C[NH2+]C[C@H]2CC=CCC2)s1 ZINC000044316778 322841217 /nfs/dbraw/zinc/84/12/17/322841217.db2.gz IMHOMUPJAIQAJS-JTQLQIEISA-N 1 0 241.787 3.847 20 0 BHADRO Clc1ccc(C[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000044316779 322841278 /nfs/dbraw/zinc/84/12/78/322841278.db2.gz IMHOMUPJAIQAJS-SNVBAGLBSA-N 1 0 241.787 3.847 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CC=CCC1 ZINC000044316784 343006596 /nfs/dbraw/zinc/00/65/96/343006596.db2.gz MAFAGMWVCDJBJF-LBPRGKRZSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000044316785 179547539 /nfs/dbraw/zinc/54/75/39/179547539.db2.gz MAFAGMWVCDJBJF-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1C ZINC000044317305 322841135 /nfs/dbraw/zinc/84/11/35/322841135.db2.gz ZHLQGCTWRDBUMR-BLLLJJGKSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1C ZINC000044317306 322841069 /nfs/dbraw/zinc/84/10/69/322841069.db2.gz ZHLQGCTWRDBUMR-LRDDRELGSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1C ZINC000044317307 322841261 /nfs/dbraw/zinc/84/12/61/322841261.db2.gz ZHLQGCTWRDBUMR-MLGOLLRUSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1C ZINC000044317308 322841156 /nfs/dbraw/zinc/84/11/56/322841156.db2.gz ZHLQGCTWRDBUMR-WBMJQRKESA-N 1 0 231.383 3.972 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C[C@H]1CC=CCC1 ZINC000044317975 188123155 /nfs/dbraw/zinc/12/31/55/188123155.db2.gz GSZZODKHGAOZSD-ZDUSSCGKSA-N 1 0 241.334 3.879 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000044317976 188297079 /nfs/dbraw/zinc/29/70/79/188297079.db2.gz GSZZODKHGAOZSD-CYBMUJFWSA-N 1 0 241.334 3.879 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000044317984 178611235 /nfs/dbraw/zinc/61/12/35/178611235.db2.gz KTVKVTDIUPZHNR-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000044346423 322841147 /nfs/dbraw/zinc/84/11/47/322841147.db2.gz KUTZMCNZGAVXOG-HNNXBMFYSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000044346427 322841335 /nfs/dbraw/zinc/84/13/35/322841335.db2.gz KUTZMCNZGAVXOG-OAHLLOKOSA-N 1 0 229.367 3.749 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CC=CCC2)o1 ZINC000044346468 384654207 /nfs/dbraw/zinc/65/42/07/384654207.db2.gz IPQYLCRSKFZVCO-IPYPFGDCSA-N 1 0 245.366 3.849 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CC=CCC2)o1 ZINC000044346477 322841523 /nfs/dbraw/zinc/84/15/23/322841523.db2.gz IPQYLCRSKFZVCO-VNHYZAJKSA-N 1 0 245.366 3.849 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000044346500 384654510 /nfs/dbraw/zinc/65/45/10/384654510.db2.gz QOZJRMUNDJBPIL-SLTAFYQDSA-N 1 0 221.388 3.901 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000044346504 322841362 /nfs/dbraw/zinc/84/13/62/322841362.db2.gz QOZJRMUNDJBPIL-SHARSMKWSA-N 1 0 221.388 3.901 20 0 BHADRO COCCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000044349869 174200428 /nfs/dbraw/zinc/20/04/28/174200428.db2.gz OKDNIFQOANBJFC-UHFFFAOYSA-N 1 0 249.398 3.500 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCOc1ccccc1 ZINC000044349906 384653728 /nfs/dbraw/zinc/65/37/28/384653728.db2.gz ORXKWTORKRDRQH-UHFFFAOYSA-N 1 0 249.398 3.870 20 0 BHADRO Cc1cc(N[C@@H]2CC2(C)C)c2ccccc2[nH+]1 ZINC000044367828 178179968 /nfs/dbraw/zinc/17/99/68/178179968.db2.gz CDJDHMQXFMEAPD-CQSZACIVSA-N 1 0 226.323 3.754 20 0 BHADRO Cc1cc(N[C@H]2CC2(C)C)c2ccccc2[nH+]1 ZINC000044367833 178187607 /nfs/dbraw/zinc/18/76/07/178187607.db2.gz CDJDHMQXFMEAPD-AWEZNQCLSA-N 1 0 226.323 3.754 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000044370395 322841745 /nfs/dbraw/zinc/84/17/45/322841745.db2.gz VUJXTRRFZRTPNY-NSHDSACASA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000044370400 322841827 /nfs/dbraw/zinc/84/18/27/322841827.db2.gz VUJXTRRFZRTPNY-LLVKDONJSA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000044370699 188258102 /nfs/dbraw/zinc/25/81/02/188258102.db2.gz HNPOWBPHCNJYMX-NSHDSACASA-N 1 0 243.272 3.594 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000044370704 188258153 /nfs/dbraw/zinc/25/81/53/188258153.db2.gz HNPOWBPHCNJYMX-LLVKDONJSA-N 1 0 243.272 3.594 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000044370758 322841835 /nfs/dbraw/zinc/84/18/35/322841835.db2.gz CZOQLJJVQSBFJK-CQSZACIVSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000044370763 322841808 /nfs/dbraw/zinc/84/18/08/322841808.db2.gz CZOQLJJVQSBFJK-AWEZNQCLSA-N 1 0 217.356 3.698 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@@H]1CC1(C)C ZINC000044370943 172112878 /nfs/dbraw/zinc/11/28/78/172112878.db2.gz KCNVEZUTGSMCLI-OAHLLOKOSA-N 1 0 243.350 3.883 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@H]1CC1(C)C ZINC000044370948 172112830 /nfs/dbraw/zinc/11/28/30/172112830.db2.gz KCNVEZUTGSMCLI-HNNXBMFYSA-N 1 0 243.350 3.883 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000044371156 322841732 /nfs/dbraw/zinc/84/17/32/322841732.db2.gz YCQZLCMUPWOWFR-NSHDSACASA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000044371161 322841788 /nfs/dbraw/zinc/84/17/88/322841788.db2.gz YCQZLCMUPWOWFR-LLVKDONJSA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000044371166 384655761 /nfs/dbraw/zinc/65/57/61/384655761.db2.gz NBJOSZBSZNMCBP-JTQLQIEISA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000044371171 384655746 /nfs/dbraw/zinc/65/57/46/384655746.db2.gz NBJOSZBSZNMCBP-SNVBAGLBSA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000044371335 322841691 /nfs/dbraw/zinc/84/16/91/322841691.db2.gz KHVSYOASDUADPX-NSHDSACASA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000044371340 384655548 /nfs/dbraw/zinc/65/55/48/384655548.db2.gz KHVSYOASDUADPX-LLVKDONJSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC(C)(C)C1 ZINC000044371418 322841826 /nfs/dbraw/zinc/84/18/26/322841826.db2.gz PJDGBUPRQSUDLG-GRYCIOLGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC(C)(C)C1 ZINC000044371428 384655649 /nfs/dbraw/zinc/65/56/49/384655649.db2.gz PJDGBUPRQSUDLG-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000044371515 322841705 /nfs/dbraw/zinc/84/17/05/322841705.db2.gz QBOFLRKCEKJCAN-WXRRBKDZSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000044371520 384654643 /nfs/dbraw/zinc/65/46/43/384654643.db2.gz QBOFLRKCEKJCAN-BPCQOVAHSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000044371673 384654692 /nfs/dbraw/zinc/65/46/92/384654692.db2.gz BMDQHBQJHCDQIL-HNNXBMFYSA-N 1 0 225.335 3.728 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000044371678 322841821 /nfs/dbraw/zinc/84/18/21/322841821.db2.gz BMDQHBQJHCDQIL-OAHLLOKOSA-N 1 0 225.335 3.728 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000044371863 384655704 /nfs/dbraw/zinc/65/57/04/384655704.db2.gz DPDXXLVANPATGI-NSHDSACASA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000044371869 322841819 /nfs/dbraw/zinc/84/18/19/322841819.db2.gz DPDXXLVANPATGI-LLVKDONJSA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000044371883 187232361 /nfs/dbraw/zinc/23/23/61/187232361.db2.gz QPORFPYPEFNIPM-NSHDSACASA-N 1 0 243.272 3.594 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000044371888 358548198 /nfs/dbraw/zinc/54/81/98/358548198.db2.gz QPORFPYPEFNIPM-LLVKDONJSA-N 1 0 243.272 3.594 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000044371893 384654403 /nfs/dbraw/zinc/65/44/03/384654403.db2.gz GXSDXHDNHRHNRM-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000044371899 384654612 /nfs/dbraw/zinc/65/46/12/384654612.db2.gz GXSDXHDNHRHNRM-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000044371934 187394856 /nfs/dbraw/zinc/39/48/56/187394856.db2.gz ZTOYAAKRKLXWJT-NSHDSACASA-N 1 0 243.272 3.594 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000044371940 188085373 /nfs/dbraw/zinc/08/53/73/188085373.db2.gz ZTOYAAKRKLXWJT-LLVKDONJSA-N 1 0 243.272 3.594 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000044372257 322841695 /nfs/dbraw/zinc/84/16/95/322841695.db2.gz AGVYKDKJZWMSPW-HNNXBMFYSA-N 1 0 225.335 3.728 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000044372259 322841810 /nfs/dbraw/zinc/84/18/10/322841810.db2.gz AGVYKDKJZWMSPW-OAHLLOKOSA-N 1 0 225.335 3.728 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044386171 171366644 /nfs/dbraw/zinc/36/66/44/171366644.db2.gz ILUJKZSWVKBQFH-WCQGTBRESA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044386175 171390439 /nfs/dbraw/zinc/39/04/39/171390439.db2.gz ILUJKZSWVKBQFH-DLOVCJGASA-N 1 0 223.360 3.982 20 0 BHADRO CCC1CCC([NH2+]CCOCCC(C)C)CC1 ZINC000044387595 384654964 /nfs/dbraw/zinc/65/49/64/384654964.db2.gz GLJMOAGJWOMJFI-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCOCCC(C)C ZINC000044388389 322910210 /nfs/dbraw/zinc/91/02/10/322910210.db2.gz SKRFAVIUOLIERZ-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCOCCC(C)C ZINC000044388392 384654743 /nfs/dbraw/zinc/65/47/43/384654743.db2.gz SKRFAVIUOLIERZ-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOCCC(C)C)cc1 ZINC000044388877 322841638 /nfs/dbraw/zinc/84/16/38/322841638.db2.gz OYBQZMDJBWMQDK-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOCCC(C)C)cc1 ZINC000044388880 384330852 /nfs/dbraw/zinc/33/08/52/384330852.db2.gz OYBQZMDJBWMQDK-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CCOc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000044389616 322841749 /nfs/dbraw/zinc/84/17/49/322841749.db2.gz LLOYXSSGRMIRRZ-AWEZNQCLSA-N 1 0 245.366 3.531 20 0 BHADRO CCOc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000044389619 384655697 /nfs/dbraw/zinc/65/56/97/384655697.db2.gz LLOYXSSGRMIRRZ-CQSZACIVSA-N 1 0 245.366 3.531 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000044389786 322841647 /nfs/dbraw/zinc/84/16/47/322841647.db2.gz WEQVFFSMNOAWDY-ZDUSSCGKSA-N 1 0 247.407 3.854 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000044389789 384654295 /nfs/dbraw/zinc/65/42/95/384654295.db2.gz WEQVFFSMNOAWDY-CYBMUJFWSA-N 1 0 247.407 3.854 20 0 BHADRO CSCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000044389818 384654149 /nfs/dbraw/zinc/65/41/49/384654149.db2.gz HLQYIPAKWZKOGX-UHFFFAOYSA-N 1 0 237.412 3.653 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000044389836 384654577 /nfs/dbraw/zinc/65/45/77/384654577.db2.gz QYWVPNMCFJFSPS-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CCOc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000044424552 322842096 /nfs/dbraw/zinc/84/20/96/322842096.db2.gz UKDRPPXLMYCPLN-AWEZNQCLSA-N 1 0 245.366 3.531 20 0 BHADRO CCOc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000044424554 384658009 /nfs/dbraw/zinc/65/80/09/384658009.db2.gz UKDRPPXLMYCPLN-CQSZACIVSA-N 1 0 245.366 3.531 20 0 BHADRO c1ccc(C[NH+]2CCC3(CCCCC3)CC2)nc1 ZINC000044460245 183395965 /nfs/dbraw/zinc/39/59/65/183395965.db2.gz QUNQARILRHADHE-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO c1ccc(C([NH2+]C2CCC2)c2ccccc2)cc1 ZINC000044480196 183387453 /nfs/dbraw/zinc/38/74/53/183387453.db2.gz UKKHMSBHCAJUSY-UHFFFAOYSA-N 1 0 237.346 3.918 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(Cl)cc1 ZINC000044480233 176829608 /nfs/dbraw/zinc/82/96/08/176829608.db2.gz DTNPUXZISDIMCZ-VIFPVBQESA-N 1 0 209.720 3.543 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(Cl)cc1 ZINC000044480235 175859096 /nfs/dbraw/zinc/85/90/96/175859096.db2.gz DTNPUXZISDIMCZ-SECBINFHSA-N 1 0 209.720 3.543 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccccc1Cl ZINC000044480265 384745953 /nfs/dbraw/zinc/74/59/53/384745953.db2.gz GVEFZHUZIYANJI-VIFPVBQESA-N 1 0 209.720 3.543 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccccc1Cl ZINC000044480267 384747026 /nfs/dbraw/zinc/74/70/26/384747026.db2.gz GVEFZHUZIYANJI-SECBINFHSA-N 1 0 209.720 3.543 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000044480268 176829198 /nfs/dbraw/zinc/82/91/98/176829198.db2.gz WAYHIJZWYMCJFD-VIFPVBQESA-N 1 0 209.720 3.543 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000044480270 384744386 /nfs/dbraw/zinc/74/43/86/384744386.db2.gz WAYHIJZWYMCJFD-SECBINFHSA-N 1 0 209.720 3.543 20 0 BHADRO c1ccc(C2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000044480744 322840801 /nfs/dbraw/zinc/84/08/01/322840801.db2.gz VIIZNTPLHJYTBV-UHFFFAOYSA-N 1 0 229.367 3.855 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000044480753 640378645 /nfs/dbraw/zinc/37/86/45/640378645.db2.gz KUOUPDQXHYQLFQ-ZDUSSCGKSA-N 1 0 223.747 3.933 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000044480755 640378493 /nfs/dbraw/zinc/37/84/93/640378493.db2.gz KUOUPDQXHYQLFQ-CYBMUJFWSA-N 1 0 223.747 3.933 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000044480761 322840797 /nfs/dbraw/zinc/84/07/97/322840797.db2.gz RZCFHOKBMVVOOG-GFCCVEGCSA-N 1 0 233.355 3.677 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000044480763 384650991 /nfs/dbraw/zinc/65/09/91/384650991.db2.gz RZCFHOKBMVVOOG-LBPRGKRZSA-N 1 0 233.355 3.677 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044480968 344541923 /nfs/dbraw/zinc/54/19/23/344541923.db2.gz PXMFLYRSHSTBSN-AWEZNQCLSA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044480970 167430551 /nfs/dbraw/zinc/43/05/51/167430551.db2.gz PXMFLYRSHSTBSN-CQSZACIVSA-N 1 0 203.329 3.526 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CCC1)CCS2 ZINC000044480976 358549978 /nfs/dbraw/zinc/54/99/78/358549978.db2.gz BAUWTEZEHMXDFN-GFCCVEGCSA-N 1 0 237.343 3.505 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC1)CCS2 ZINC000044480979 358549712 /nfs/dbraw/zinc/54/97/12/358549712.db2.gz BAUWTEZEHMXDFN-LBPRGKRZSA-N 1 0 237.343 3.505 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1ccc(Cl)cc1 ZINC000044481034 344541787 /nfs/dbraw/zinc/54/17/87/344541787.db2.gz LCTMVTWQEAPCOR-ZDUSSCGKSA-N 1 0 223.747 3.933 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1ccc(Cl)cc1 ZINC000044481035 170889787 /nfs/dbraw/zinc/88/97/87/170889787.db2.gz LCTMVTWQEAPCOR-CYBMUJFWSA-N 1 0 223.747 3.933 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(Cl)s1 ZINC000044481095 176829777 /nfs/dbraw/zinc/82/97/77/176829777.db2.gz YRENWOOMTWIMBP-ZETCQYMHSA-N 1 0 215.749 3.605 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(Cl)s1 ZINC000044481097 387682223 /nfs/dbraw/zinc/68/22/23/387682223.db2.gz YRENWOOMTWIMBP-SSDOTTSWSA-N 1 0 215.749 3.605 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000044481109 344541898 /nfs/dbraw/zinc/54/18/98/344541898.db2.gz HYERJQAHTWJULC-JTQLQIEISA-N 1 0 221.369 3.612 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000044481111 187293059 /nfs/dbraw/zinc/29/30/59/187293059.db2.gz HYERJQAHTWJULC-SNVBAGLBSA-N 1 0 221.369 3.612 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCC1 ZINC000044481208 322840961 /nfs/dbraw/zinc/84/09/61/322840961.db2.gz IDGFIPQZFOLJFR-MRVWCRGKSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044481222 187394027 /nfs/dbraw/zinc/39/40/27/187394027.db2.gz LUTYUZAIJXKBMT-HNNXBMFYSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044481224 358549743 /nfs/dbraw/zinc/54/97/43/358549743.db2.gz LUTYUZAIJXKBMT-OAHLLOKOSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1ccc(C)cc1 ZINC000044481249 344542027 /nfs/dbraw/zinc/54/20/27/344542027.db2.gz JZHXFOHUBLDLFG-AWEZNQCLSA-N 1 0 203.329 3.588 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1ccc(C)cc1 ZINC000044481251 385207774 /nfs/dbraw/zinc/20/77/74/385207774.db2.gz JZHXFOHUBLDLFG-CQSZACIVSA-N 1 0 203.329 3.588 20 0 BHADRO CCC[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044481318 344541837 /nfs/dbraw/zinc/54/18/37/344541837.db2.gz XSIFCNWNHGSPFY-AWEZNQCLSA-N 1 0 203.329 3.670 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC1)c1ccccc1 ZINC000044481320 385208403 /nfs/dbraw/zinc/20/84/03/385208403.db2.gz XSIFCNWNHGSPFY-CQSZACIVSA-N 1 0 203.329 3.670 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cc2ccccc2o1 ZINC000044481343 641603556 /nfs/dbraw/zinc/60/35/56/641603556.db2.gz FKZFEELBAOKVOC-JTQLQIEISA-N 1 0 215.296 3.636 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cc2ccccc2o1 ZINC000044481345 641602536 /nfs/dbraw/zinc/60/25/36/641602536.db2.gz FKZFEELBAOKVOC-SNVBAGLBSA-N 1 0 215.296 3.636 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc2c(c1)CCCC2 ZINC000044481354 176829259 /nfs/dbraw/zinc/82/92/59/176829259.db2.gz KWHAXJRMBATSQZ-LBPRGKRZSA-N 1 0 229.367 3.769 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc2c(c1)CCCC2 ZINC000044481356 175859043 /nfs/dbraw/zinc/85/90/43/175859043.db2.gz KWHAXJRMBATSQZ-GFCCVEGCSA-N 1 0 229.367 3.769 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000044481385 322840846 /nfs/dbraw/zinc/84/08/46/322840846.db2.gz CJCCRLMALJNKSU-VIFPVBQESA-N 1 0 243.272 3.909 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000044481388 322840825 /nfs/dbraw/zinc/84/08/25/322840825.db2.gz CJCCRLMALJNKSU-SECBINFHSA-N 1 0 243.272 3.909 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000044481448 322840805 /nfs/dbraw/zinc/84/08/05/322840805.db2.gz ZLTJVBYMXRVFQE-VIFPVBQESA-N 1 0 243.272 3.909 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000044481450 322840905 /nfs/dbraw/zinc/84/09/05/322840905.db2.gz ZLTJVBYMXRVFQE-SECBINFHSA-N 1 0 243.272 3.909 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2CCC2)c1 ZINC000044481529 322840799 /nfs/dbraw/zinc/84/07/99/322840799.db2.gz MMGSELXNJPAWCL-GFCCVEGCSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2CCC2)c1 ZINC000044481530 322840844 /nfs/dbraw/zinc/84/08/44/322840844.db2.gz MMGSELXNJPAWCL-LBPRGKRZSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCC2)c(C)s1 ZINC000044481572 178223514 /nfs/dbraw/zinc/22/35/14/178223514.db2.gz MMJCDDWKXLREBD-SECBINFHSA-N 1 0 209.358 3.568 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCC2)c(C)s1 ZINC000044481573 178245795 /nfs/dbraw/zinc/24/57/95/178245795.db2.gz MMJCDDWKXLREBD-VIFPVBQESA-N 1 0 209.358 3.568 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC2)c(C)c1 ZINC000044481755 384653690 /nfs/dbraw/zinc/65/36/90/384653690.db2.gz DLUPDOQEOSSHFU-GFCCVEGCSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC2)c(C)c1 ZINC000044481756 322841176 /nfs/dbraw/zinc/84/11/76/322841176.db2.gz DLUPDOQEOSSHFU-LBPRGKRZSA-N 1 0 203.329 3.507 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000044496014 641602895 /nfs/dbraw/zinc/60/28/95/641602895.db2.gz ZAJOCIFJKWOULC-OLZOCXBDSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000044496015 641604111 /nfs/dbraw/zinc/60/41/11/641604111.db2.gz ZAJOCIFJKWOULC-STQMWFEESA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000044496016 641603654 /nfs/dbraw/zinc/60/36/54/641603654.db2.gz ZAJOCIFJKWOULC-CHWSQXEVSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000044496017 641602285 /nfs/dbraw/zinc/60/22/85/641602285.db2.gz ZAJOCIFJKWOULC-QWHCGFSZSA-N 1 0 237.391 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000044497217 170967703 /nfs/dbraw/zinc/96/77/03/170967703.db2.gz ABKFYPAVTATLGZ-GUTXKFCHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000044497219 358549618 /nfs/dbraw/zinc/54/96/18/358549618.db2.gz ABKFYPAVTATLGZ-GZBFAFLISA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]CCC2CCCCC2)cn1 ZINC000044499002 322841060 /nfs/dbraw/zinc/84/10/60/322841060.db2.gz JUFPVDDITBKXRM-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1cc([C@H](C)[NH2+]CCC2CCCCC2)cn1 ZINC000044499004 322841264 /nfs/dbraw/zinc/84/12/64/322841264.db2.gz JUFPVDDITBKXRM-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000044500392 168521258 /nfs/dbraw/zinc/52/12/58/168521258.db2.gz XAWQFUBRPAXGBS-OPFPJEHXSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000044500394 358549924 /nfs/dbraw/zinc/54/99/24/358549924.db2.gz XAWQFUBRPAXGBS-DNOWBOINSA-N 1 0 249.402 3.522 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000044583635 322842480 /nfs/dbraw/zinc/84/24/80/322842480.db2.gz IJDZHHNRXBQUTO-HNNXBMFYSA-N 1 0 229.367 3.695 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000044583636 384658825 /nfs/dbraw/zinc/65/88/25/384658825.db2.gz IJDZHHNRXBQUTO-OAHLLOKOSA-N 1 0 229.367 3.695 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1C ZINC000044583739 322842916 /nfs/dbraw/zinc/84/29/16/322842916.db2.gz WFSPXLWOLLEAPZ-HNNXBMFYSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1C ZINC000044583743 322842484 /nfs/dbraw/zinc/84/24/84/322842484.db2.gz WFSPXLWOLLEAPZ-OAHLLOKOSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1C ZINC000044583747 322842492 /nfs/dbraw/zinc/84/24/92/322842492.db2.gz VUXKPLKDHQJOLM-HNNXBMFYSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1C ZINC000044583750 322842874 /nfs/dbraw/zinc/84/28/74/322842874.db2.gz VUXKPLKDHQJOLM-OAHLLOKOSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000044583802 384658454 /nfs/dbraw/zinc/65/84/54/384658454.db2.gz FFHQTDCTGYYCHJ-HNNXBMFYSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000044583806 322842780 /nfs/dbraw/zinc/84/27/80/322842780.db2.gz FFHQTDCTGYYCHJ-OAHLLOKOSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2CCCCC2)no1 ZINC000044590924 342690827 /nfs/dbraw/zinc/69/08/27/342690827.db2.gz RELPKFCEGIPDLW-HNNXBMFYSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CC2CCCCC2)no1 ZINC000044590926 342690779 /nfs/dbraw/zinc/69/07/79/342690779.db2.gz RELPKFCEGIPDLW-OAHLLOKOSA-N 1 0 248.370 3.700 20 0 BHADRO c1coc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000044648819 342692316 /nfs/dbraw/zinc/69/23/16/342692316.db2.gz HDKZGBKAUHOBFO-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO COCCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000044655015 322842495 /nfs/dbraw/zinc/84/24/95/322842495.db2.gz SQJDDGWGTUHYDG-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000044655018 384657494 /nfs/dbraw/zinc/65/74/94/384657494.db2.gz SQJDDGWGTUHYDG-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000044655021 322842643 /nfs/dbraw/zinc/84/26/43/322842643.db2.gz SQJDDGWGTUHYDG-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000044655025 322842689 /nfs/dbraw/zinc/84/26/89/322842689.db2.gz SQJDDGWGTUHYDG-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000044655203 174201131 /nfs/dbraw/zinc/20/11/31/174201131.db2.gz DZOZXQGBVNEYHK-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000044655732 174202299 /nfs/dbraw/zinc/20/22/99/174202299.db2.gz HOKSPUJMYHNXPR-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO COCCCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000044655735 174203590 /nfs/dbraw/zinc/20/35/90/174203590.db2.gz HOKSPUJMYHNXPR-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CCCCOC)cc1 ZINC000044656079 322843064 /nfs/dbraw/zinc/84/30/64/322843064.db2.gz YGFYVZILXOKCHX-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CCCCOC)cc1 ZINC000044656082 384656851 /nfs/dbraw/zinc/65/68/51/384656851.db2.gz YGFYVZILXOKCHX-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000044656285 174201323 /nfs/dbraw/zinc/20/13/23/174201323.db2.gz YXMRJNRRVZCYBF-LBPRGKRZSA-N 1 0 247.338 3.510 20 0 BHADRO COCCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000044656288 174203990 /nfs/dbraw/zinc/20/39/90/174203990.db2.gz YXMRJNRRVZCYBF-GFCCVEGCSA-N 1 0 247.338 3.510 20 0 BHADRO COCCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000044656318 384656876 /nfs/dbraw/zinc/65/68/76/384656876.db2.gz PNSTUECXMPXABY-CQSZACIVSA-N 1 0 249.398 3.887 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000044656321 322843023 /nfs/dbraw/zinc/84/30/23/322843023.db2.gz PNSTUECXMPXABY-AWEZNQCLSA-N 1 0 249.398 3.887 20 0 BHADRO CCC[C@H]([NH2+]CCCCOC)c1ccccc1 ZINC000044656396 169510760 /nfs/dbraw/zinc/51/07/60/169510760.db2.gz RNIKAQWBSCPVCA-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOC)c1ccccc1 ZINC000044656400 169399248 /nfs/dbraw/zinc/39/92/48/169399248.db2.gz RNIKAQWBSCPVCA-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO COCCCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000044656568 322843035 /nfs/dbraw/zinc/84/30/35/322843035.db2.gz BUVCRJPTKVVJNV-OAHLLOKOSA-N 1 0 249.398 3.689 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000044656571 384658315 /nfs/dbraw/zinc/65/83/15/384658315.db2.gz BUVCRJPTKVVJNV-HNNXBMFYSA-N 1 0 249.398 3.689 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CCCCOC)cc1 ZINC000044657011 188258158 /nfs/dbraw/zinc/25/81/58/188258158.db2.gz QYIDUVUCPFTKTA-MRXNPFEDSA-N 1 0 249.398 3.716 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CCCCOC)cc1 ZINC000044657015 387690419 /nfs/dbraw/zinc/69/04/19/387690419.db2.gz QYIDUVUCPFTKTA-INIZCTEOSA-N 1 0 249.398 3.716 20 0 BHADRO CCCC[C@H]([NH2+]CCCCOC)c1ccccc1 ZINC000044657734 169012168 /nfs/dbraw/zinc/01/21/68/169012168.db2.gz HTBIKDPJNXRTGE-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCC[C@@H]([NH2+]CCCCOC)c1ccccc1 ZINC000044657738 358551229 /nfs/dbraw/zinc/55/12/29/358551229.db2.gz HTBIKDPJNXRTGE-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044673926 384659307 /nfs/dbraw/zinc/65/93/07/384659307.db2.gz YUWUCHIOTUXYHC-IAOVAPTHSA-N 1 0 237.346 3.893 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044673927 385221701 /nfs/dbraw/zinc/22/17/01/385221701.db2.gz YUWUCHIOTUXYHC-KBRIMQKVSA-N 1 0 237.346 3.893 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674705 487599270 /nfs/dbraw/zinc/59/92/70/487599270.db2.gz QAGFDSUUGSBREN-QHSBEEBCSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674707 323828568 /nfs/dbraw/zinc/82/85/68/323828568.db2.gz QAGFDSUUGSBREN-CTHBEMJXSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674708 487599124 /nfs/dbraw/zinc/59/91/24/487599124.db2.gz QAGFDSUUGSBREN-AYRXBEOTSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674710 322843182 /nfs/dbraw/zinc/84/31/82/322843182.db2.gz QAGFDSUUGSBREN-DDHJSBNISA-N 1 0 217.356 3.567 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000044688077 384658502 /nfs/dbraw/zinc/65/85/02/384658502.db2.gz QABDBEBBFRSMED-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000044688081 384657428 /nfs/dbraw/zinc/65/74/28/384657428.db2.gz QABDBEBBFRSMED-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000044688332 384663033 /nfs/dbraw/zinc/66/30/33/384663033.db2.gz LCCRIBNLZKZYOI-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000044689036 387690135 /nfs/dbraw/zinc/69/01/35/387690135.db2.gz BKTNJHKZBKHAFJ-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000044689038 387689835 /nfs/dbraw/zinc/68/98/35/387689835.db2.gz BKTNJHKZBKHAFJ-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000044689040 170433067 /nfs/dbraw/zinc/43/30/67/170433067.db2.gz BKTNJHKZBKHAFJ-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000044689043 387690273 /nfs/dbraw/zinc/69/02/73/387690273.db2.gz BKTNJHKZBKHAFJ-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)COCC)cc1 ZINC000044689341 322843060 /nfs/dbraw/zinc/84/30/60/322843060.db2.gz DKUCKILFSYTUGE-UONOGXRCSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H](C)COCC)cc1 ZINC000044689344 384661547 /nfs/dbraw/zinc/66/15/47/384661547.db2.gz DKUCKILFSYTUGE-KBPBESRZSA-N 1 0 249.398 3.715 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000044689693 386728489 /nfs/dbraw/zinc/72/84/89/386728489.db2.gz RWZZOPDDEUXZMS-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000044689696 386727386 /nfs/dbraw/zinc/72/73/86/386727386.db2.gz RWZZOPDDEUXZMS-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000044689699 386726749 /nfs/dbraw/zinc/72/67/49/386726749.db2.gz RWZZOPDDEUXZMS-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000044689700 386726634 /nfs/dbraw/zinc/72/66/34/386726634.db2.gz RWZZOPDDEUXZMS-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000044689733 384661409 /nfs/dbraw/zinc/66/14/09/384661409.db2.gz DDZVORDZYRVMMX-KBPBESRZSA-N 1 0 249.398 3.886 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000044689737 384661925 /nfs/dbraw/zinc/66/19/25/384661925.db2.gz DDZVORDZYRVMMX-UONOGXRCSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)COCC)c1ccccc1 ZINC000044689861 358552441 /nfs/dbraw/zinc/55/24/41/358552441.db2.gz FGYKVVMEQBKVKQ-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)COCC)c1ccccc1 ZINC000044689865 387689095 /nfs/dbraw/zinc/68/90/95/387689095.db2.gz FGYKVVMEQBKVKQ-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)COCC)c1ccccc1 ZINC000044689867 358552354 /nfs/dbraw/zinc/55/23/54/358552354.db2.gz FGYKVVMEQBKVKQ-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)COCC)c1ccccc1 ZINC000044689871 387690026 /nfs/dbraw/zinc/69/00/26/387690026.db2.gz FGYKVVMEQBKVKQ-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000044690378 384661054 /nfs/dbraw/zinc/66/10/54/384661054.db2.gz NIXWVCCHGJBMON-GJZGRUSLSA-N 1 0 249.398 3.687 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000044690382 322843147 /nfs/dbraw/zinc/84/31/47/322843147.db2.gz NIXWVCCHGJBMON-LSDHHAIUSA-N 1 0 249.398 3.687 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000044690805 384661695 /nfs/dbraw/zinc/66/16/95/384661695.db2.gz JCQUPHBMVWKKIF-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000044690807 384662903 /nfs/dbraw/zinc/66/29/03/384662903.db2.gz JCQUPHBMVWKKIF-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO Cc1cc(C[NH2+]C(CC(C)C)CC(C)C)no1 ZINC000044692575 384662987 /nfs/dbraw/zinc/66/29/87/384662987.db2.gz DQNPUDWVCDYFPF-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccsc2)c(C)o1 ZINC000044729312 178229745 /nfs/dbraw/zinc/22/97/45/178229745.db2.gz DRKKMTCBRBGCSW-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccsc2)c(C)o1 ZINC000044729313 178252341 /nfs/dbraw/zinc/25/23/41/178252341.db2.gz DRKKMTCBRBGCSW-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729314 322843418 /nfs/dbraw/zinc/84/34/18/322843418.db2.gz OGEAUCUEXNQBJF-NSHDSACASA-N 1 0 223.360 3.983 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729315 384663297 /nfs/dbraw/zinc/66/32/97/384663297.db2.gz OGEAUCUEXNQBJF-LLVKDONJSA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)o1 ZINC000044729514 178227963 /nfs/dbraw/zinc/22/79/63/178227963.db2.gz VHMPDFMWNFJYDI-OCCSQVGLSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)o1 ZINC000044729515 178250394 /nfs/dbraw/zinc/25/03/94/178250394.db2.gz VHMPDFMWNFJYDI-JSGCOSHPSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)o1 ZINC000044729516 178226800 /nfs/dbraw/zinc/22/68/00/178226800.db2.gz VHMPDFMWNFJYDI-TZMCWYRMSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)o1 ZINC000044729517 178248390 /nfs/dbraw/zinc/24/83/90/178248390.db2.gz VHMPDFMWNFJYDI-GXTWGEPZSA-N 1 0 233.355 3.903 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729554 384661996 /nfs/dbraw/zinc/66/19/96/384661996.db2.gz AXBPNWQIPKVSBC-PWSUYJOCSA-N 1 0 223.360 3.983 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729555 384662629 /nfs/dbraw/zinc/66/26/29/384662629.db2.gz AXBPNWQIPKVSBC-JQWIXIFHSA-N 1 0 223.360 3.983 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729556 384662395 /nfs/dbraw/zinc/66/23/95/384662395.db2.gz AXBPNWQIPKVSBC-ZYHUDNBSSA-N 1 0 223.360 3.983 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729557 322843267 /nfs/dbraw/zinc/84/32/67/322843267.db2.gz AXBPNWQIPKVSBC-CMPLNLGQSA-N 1 0 223.360 3.983 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729558 170708384 /nfs/dbraw/zinc/70/83/84/170708384.db2.gz LSXOLGWYOONFDN-KOLCDFICSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729559 171285957 /nfs/dbraw/zinc/28/59/57/171285957.db2.gz LSXOLGWYOONFDN-ONGXEEELSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729560 344546448 /nfs/dbraw/zinc/54/64/48/344546448.db2.gz LSXOLGWYOONFDN-MWLCHTKSSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729561 171286879 /nfs/dbraw/zinc/28/68/79/171286879.db2.gz LSXOLGWYOONFDN-GXSJLCMTSA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)o1 ZINC000044729609 640462638 /nfs/dbraw/zinc/46/26/38/640462638.db2.gz RPNKCKBKBMRKTE-PWSUYJOCSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)o1 ZINC000044729610 640462541 /nfs/dbraw/zinc/46/25/41/640462541.db2.gz RPNKCKBKBMRKTE-JQWIXIFHSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)o1 ZINC000044729611 640461155 /nfs/dbraw/zinc/46/11/55/640461155.db2.gz RPNKCKBKBMRKTE-ZYHUDNBSSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)o1 ZINC000044729612 640461776 /nfs/dbraw/zinc/46/17/76/640461776.db2.gz RPNKCKBKBMRKTE-CMPLNLGQSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)C)c(C)o1 ZINC000044730187 178222937 /nfs/dbraw/zinc/22/29/37/178222937.db2.gz PBRKBQFHGIGKGZ-LLVKDONJSA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(C)C)c(C)o1 ZINC000044730188 178247222 /nfs/dbraw/zinc/24/72/22/178247222.db2.gz PBRKBQFHGIGKGZ-NSHDSACASA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc([C@H](C)Nc2cc(C)ccn2)c(C)o1 ZINC000044730821 386726866 /nfs/dbraw/zinc/72/68/66/386726866.db2.gz GGUFGUACWUMFFD-NSHDSACASA-N 1 0 230.311 3.773 20 0 BHADRO Cc1cc([C@@H](C)Nc2cc(C)ccn2)c(C)o1 ZINC000044730822 386727238 /nfs/dbraw/zinc/72/72/38/386727238.db2.gz GGUFGUACWUMFFD-LLVKDONJSA-N 1 0 230.311 3.773 20 0 BHADRO c1csc(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000044872960 342748380 /nfs/dbraw/zinc/74/83/80/342748380.db2.gz WHVDHYVCRLHZCD-UHFFFAOYSA-N 1 0 243.375 3.913 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044893763 368423290 /nfs/dbraw/zinc/42/32/90/368423290.db2.gz PDQFOANUBHQUJB-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO Cc1cc(C[NH2+]C(CC(C)C)CC(C)C)on1 ZINC000044986022 384664413 /nfs/dbraw/zinc/66/44/13/384664413.db2.gz ZFKLFJJSLOXHLB-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO CCCC[N@H+](CC)Cc1csc(CCC)n1 ZINC000045003965 342770566 /nfs/dbraw/zinc/77/05/66/342770566.db2.gz XYLVNRXZPHEMHD-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO Fc1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1 ZINC000045004741 342771001 /nfs/dbraw/zinc/77/10/01/342771001.db2.gz ZWNAOLSOYQWANR-UHFFFAOYSA-N 1 0 245.297 3.583 20 0 BHADRO CC(C)=CC[N@H+](Cc1cccs1)C1CC1 ZINC000045006995 387956392 /nfs/dbraw/zinc/95/63/92/387956392.db2.gz IBAFHLXOCOKCFV-UHFFFAOYSA-N 1 0 221.369 3.679 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000045019648 322843866 /nfs/dbraw/zinc/84/38/66/322843866.db2.gz CPHAIQYZUFHEKD-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000045019652 322844066 /nfs/dbraw/zinc/84/40/66/322844066.db2.gz CPHAIQYZUFHEKD-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000045021717 322844026 /nfs/dbraw/zinc/84/40/26/322844026.db2.gz XBIMMXCSAKFUJO-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000045021719 322843919 /nfs/dbraw/zinc/84/39/19/322843919.db2.gz XBIMMXCSAKFUJO-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000045021721 384665435 /nfs/dbraw/zinc/66/54/35/384665435.db2.gz XBIMMXCSAKFUJO-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000045021723 322843901 /nfs/dbraw/zinc/84/39/01/322843901.db2.gz XBIMMXCSAKFUJO-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000045022326 387699985 /nfs/dbraw/zinc/69/99/85/387699985.db2.gz SLUPGCPZCGEKPX-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000045022329 174408308 /nfs/dbraw/zinc/40/83/08/174408308.db2.gz SLUPGCPZCGEKPX-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000045022331 174385726 /nfs/dbraw/zinc/38/57/26/174385726.db2.gz SLUPGCPZCGEKPX-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000045022334 174385093 /nfs/dbraw/zinc/38/50/93/174385093.db2.gz SLUPGCPZCGEKPX-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000045022363 322843985 /nfs/dbraw/zinc/84/39/85/322843985.db2.gz VTWLCDCXNGARQJ-UONOGXRCSA-N 1 0 249.398 3.886 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000045022367 322844069 /nfs/dbraw/zinc/84/40/69/322844069.db2.gz VTWLCDCXNGARQJ-KBPBESRZSA-N 1 0 249.398 3.886 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000045022369 322844037 /nfs/dbraw/zinc/84/40/37/322844037.db2.gz VTWLCDCXNGARQJ-ZIAGYGMSSA-N 1 0 249.398 3.886 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000045022371 322843968 /nfs/dbraw/zinc/84/39/68/322843968.db2.gz VTWLCDCXNGARQJ-KGLIPLIRSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000045022874 358558325 /nfs/dbraw/zinc/55/83/25/358558325.db2.gz VKBUBFGTTGDGRC-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000045022876 387699255 /nfs/dbraw/zinc/69/92/55/387699255.db2.gz VKBUBFGTTGDGRC-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCOC)c1ccccc1 ZINC000045022878 358557787 /nfs/dbraw/zinc/55/77/87/358557787.db2.gz VKBUBFGTTGDGRC-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCOC)c1ccccc1 ZINC000045022880 387699543 /nfs/dbraw/zinc/69/95/43/387699543.db2.gz VKBUBFGTTGDGRC-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000045023047 384370313 /nfs/dbraw/zinc/37/03/13/384370313.db2.gz AAJLKJKDMUXSTP-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000045023049 174384561 /nfs/dbraw/zinc/38/45/61/174384561.db2.gz AAJLKJKDMUXSTP-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000045023051 384370267 /nfs/dbraw/zinc/37/02/67/384370267.db2.gz AAJLKJKDMUXSTP-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000045023053 174385119 /nfs/dbraw/zinc/38/51/19/174385119.db2.gz AAJLKJKDMUXSTP-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO CC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC000045042152 322844074 /nfs/dbraw/zinc/84/40/74/322844074.db2.gz LACLFUYHCQOUDB-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO COc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000045042168 322844093 /nfs/dbraw/zinc/84/40/93/322844093.db2.gz WWKFIYFJFFDGBD-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC1([NH2+]Cc2ccc(F)cc2F)CCCCC1 ZINC000045042180 343521908 /nfs/dbraw/zinc/52/19/08/343521908.db2.gz GXPXMYFIDIUNBI-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO COc1cccc(C[NH2+]C2(C)CCCCC2)c1 ZINC000045042194 322844070 /nfs/dbraw/zinc/84/40/70/322844070.db2.gz VGXDKSJOOHBMSW-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCOc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000045042209 384665457 /nfs/dbraw/zinc/66/54/57/384665457.db2.gz PCHSALBYGLFXJJ-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC000045042218 322844016 /nfs/dbraw/zinc/84/40/16/322844016.db2.gz OHONCZIHNRXQFP-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO COc1ccccc1C[NH2+]C1(C)CCCCC1 ZINC000045042224 322843988 /nfs/dbraw/zinc/84/39/88/322843988.db2.gz OAIWPIGEQUPQIQ-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO Cc1ccccc1C[NH2+]C1(C)CCCCC1 ZINC000045042230 322844094 /nfs/dbraw/zinc/84/40/94/322844094.db2.gz INWJYCXPOKPYBI-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000045042236 322844081 /nfs/dbraw/zinc/84/40/81/322844081.db2.gz ZRJDVCWDXPPYHT-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO Cc1cccc(C[NH2+]C2(C)CCCCC2)c1 ZINC000045042244 384664751 /nfs/dbraw/zinc/66/47/51/384664751.db2.gz OMQBOALRODJDCS-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO CC1([NH2+]Cc2ccc(F)c(F)c2)CCCCC1 ZINC000045042252 322844090 /nfs/dbraw/zinc/84/40/90/322844090.db2.gz SNUKVBYHMMSJOM-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CC1([NH2+]Cc2cccs2)CCCCC1 ZINC000045042341 384665445 /nfs/dbraw/zinc/66/54/45/384665445.db2.gz WQRHNCWNGVROKP-UHFFFAOYSA-N 1 0 209.358 3.561 20 0 BHADRO Cc1ccsc1C[NH2+]C1(C)CCCCC1 ZINC000045042375 384665131 /nfs/dbraw/zinc/66/51/31/384665131.db2.gz HGSBVRXJFAWXLT-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CC1([NH2+]Cc2ccsc2)CCCCC1 ZINC000045042386 168063724 /nfs/dbraw/zinc/06/37/24/168063724.db2.gz SFXQNQPYNNTRDL-UHFFFAOYSA-N 1 0 209.358 3.561 20 0 BHADRO CC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC000045042482 384664465 /nfs/dbraw/zinc/66/44/65/384664465.db2.gz NLQPOXVTNLLGMH-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO CC1([NH2+]C[C@H]2CC=CCC2)CCCCC1 ZINC000045042535 168062679 /nfs/dbraw/zinc/06/26/79/168062679.db2.gz CSYCMVPWDUHRNC-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CC1([NH2+]C[C@@H]2CC=CCC2)CCCCC1 ZINC000045042538 168063419 /nfs/dbraw/zinc/06/34/19/168063419.db2.gz CSYCMVPWDUHRNC-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCCC2)s1 ZINC000045042546 322844075 /nfs/dbraw/zinc/84/40/75/322844075.db2.gz RZWAPAGNWYRBJN-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CCCCC2)cc(C)c1O ZINC000045042613 384665951 /nfs/dbraw/zinc/66/59/51/384665951.db2.gz JNUFDXKQDZBPHO-UHFFFAOYSA-N 1 0 247.382 3.821 20 0 BHADRO CC1([NH2+]Cc2cc(F)ccc2F)CCCCC1 ZINC000045042648 322844091 /nfs/dbraw/zinc/84/40/91/322844091.db2.gz ISPLCGHIOPGRHE-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)o2)CCCCC1 ZINC000045042657 384664527 /nfs/dbraw/zinc/66/45/27/384664527.db2.gz PCWQGZVGNLUROW-UHFFFAOYSA-N 1 0 227.735 3.745 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1(C)CCCCC1 ZINC000045042687 384665087 /nfs/dbraw/zinc/66/50/87/384665087.db2.gz YNISVVYKQAVFRU-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO CCOc1cccc(C[NH2+]C2(C)CCCCC2)c1 ZINC000045042867 322844031 /nfs/dbraw/zinc/84/40/31/322844031.db2.gz BPCVVUZBMUXPGL-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCc1ncc(C[NH2+]C2(C)CCCCC2)s1 ZINC000045042873 172018607 /nfs/dbraw/zinc/01/86/07/172018607.db2.gz MJEJNUFZMPCRNS-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CC1([NH2+]Cc2cccc(F)c2F)CCCCC1 ZINC000045045575 352562743 /nfs/dbraw/zinc/56/27/43/352562743.db2.gz BGKKNNZDULEKMZ-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO C[N@H+](CCCC(=O)c1ccccc1)CC(C)(C)C ZINC000045084783 384660778 /nfs/dbraw/zinc/66/07/78/384660778.db2.gz SIALJMVNJVMACV-UHFFFAOYSA-N 1 0 247.382 3.627 20 0 BHADRO CC[C@H]([NH2+]CCOCCC(C)C)c1ccccc1 ZINC000045093922 343523323 /nfs/dbraw/zinc/52/33/23/343523323.db2.gz LJQIAKUTKZGFQV-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H]([NH2+]CCOCCC(C)C)c1ccccc1 ZINC000045093923 387703005 /nfs/dbraw/zinc/70/30/05/387703005.db2.gz LJQIAKUTKZGFQV-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045094233 384662116 /nfs/dbraw/zinc/66/21/16/384662116.db2.gz ANBOXAQVDHIKCL-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045094234 322843413 /nfs/dbraw/zinc/84/34/13/322843413.db2.gz ANBOXAQVDHIKCL-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1Cl ZINC000045115292 384662830 /nfs/dbraw/zinc/66/28/30/384662830.db2.gz RNLPQJZNNSFCAG-JOYOIKCWSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1Cl ZINC000045115294 384662814 /nfs/dbraw/zinc/66/28/14/384662814.db2.gz RNLPQJZNNSFCAG-BXKDBHETSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1Cl ZINC000045115296 384661133 /nfs/dbraw/zinc/66/11/33/384661133.db2.gz RNLPQJZNNSFCAG-CABZTGNLSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1Cl ZINC000045115298 322843748 /nfs/dbraw/zinc/84/37/48/322843748.db2.gz RNLPQJZNNSFCAG-SKDRFNHKSA-N 1 0 223.747 3.789 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)s1 ZINC000045115379 387705513 /nfs/dbraw/zinc/70/55/13/387705513.db2.gz ISHHFWNFOPRULI-MWLCHTKSSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)s1 ZINC000045115381 387705490 /nfs/dbraw/zinc/70/54/90/387705490.db2.gz ISHHFWNFOPRULI-GXSJLCMTSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)s1 ZINC000045115383 178848935 /nfs/dbraw/zinc/84/89/35/178848935.db2.gz ISHHFWNFOPRULI-KOLCDFICSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)s1 ZINC000045115385 387706540 /nfs/dbraw/zinc/70/65/40/387706540.db2.gz ISHHFWNFOPRULI-ONGXEEELSA-N 1 0 209.358 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Cl)cc1 ZINC000045115455 322843750 /nfs/dbraw/zinc/84/37/50/322843750.db2.gz NFYLQZDJFMUXKH-JOYOIKCWSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Cl)cc1 ZINC000045115457 322843747 /nfs/dbraw/zinc/84/37/47/322843747.db2.gz NFYLQZDJFMUXKH-BXKDBHETSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)cc1 ZINC000045115459 322843746 /nfs/dbraw/zinc/84/37/46/322843746.db2.gz NFYLQZDJFMUXKH-CABZTGNLSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)cc1 ZINC000045115461 384662029 /nfs/dbraw/zinc/66/20/29/384662029.db2.gz NFYLQZDJFMUXKH-SKDRFNHKSA-N 1 0 223.747 3.789 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045115509 170557462 /nfs/dbraw/zinc/55/74/62/170557462.db2.gz WDNACKHIRNEMQM-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045115512 358559119 /nfs/dbraw/zinc/55/91/19/358559119.db2.gz WDNACKHIRNEMQM-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045115514 358558893 /nfs/dbraw/zinc/55/88/93/358558893.db2.gz WDNACKHIRNEMQM-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045115516 358558909 /nfs/dbraw/zinc/55/89/09/358558909.db2.gz WDNACKHIRNEMQM-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000045115518 358558771 /nfs/dbraw/zinc/55/87/71/358558771.db2.gz GNVLKBIKTOLBTH-YPMHNXCESA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000045115520 387705431 /nfs/dbraw/zinc/70/54/31/387705431.db2.gz GNVLKBIKTOLBTH-DGCLKSJQSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000045115522 187232546 /nfs/dbraw/zinc/23/25/46/187232546.db2.gz GNVLKBIKTOLBTH-AAEUAGOBSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000045115524 358558947 /nfs/dbraw/zinc/55/89/47/358558947.db2.gz GNVLKBIKTOLBTH-WCQYABFASA-N 1 0 233.380 3.612 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045115552 358559025 /nfs/dbraw/zinc/55/90/25/358559025.db2.gz PCFDRQVYZSBCFU-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045115554 358559043 /nfs/dbraw/zinc/55/90/43/358559043.db2.gz PCFDRQVYZSBCFU-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000045115556 358558922 /nfs/dbraw/zinc/55/89/22/358558922.db2.gz PCFDRQVYZSBCFU-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000045115559 358558787 /nfs/dbraw/zinc/55/87/87/358558787.db2.gz PCFDRQVYZSBCFU-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OC)cc1 ZINC000045115595 343523982 /nfs/dbraw/zinc/52/39/82/343523982.db2.gz ZGRDKQQMAOLCEU-UONOGXRCSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OC)cc1 ZINC000045115597 358558918 /nfs/dbraw/zinc/55/89/18/358558918.db2.gz ZGRDKQQMAOLCEU-ZIAGYGMSSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(OC)cc1 ZINC000045115599 358558825 /nfs/dbraw/zinc/55/88/25/358558825.db2.gz ZGRDKQQMAOLCEU-KBPBESRZSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(OC)cc1 ZINC000045115601 358558795 /nfs/dbraw/zinc/55/87/95/358558795.db2.gz ZGRDKQQMAOLCEU-KGLIPLIRSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045115612 322843593 /nfs/dbraw/zinc/84/35/93/322843593.db2.gz GGDMKDJYKYBNJC-IUODEOHRSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045115614 384662892 /nfs/dbraw/zinc/66/28/92/384662892.db2.gz GGDMKDJYKYBNJC-SWLSCSKDSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045115616 384661469 /nfs/dbraw/zinc/66/14/69/384661469.db2.gz GGDMKDJYKYBNJC-DOMZBBRYSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045115618 384661035 /nfs/dbraw/zinc/66/10/35/384661035.db2.gz GGDMKDJYKYBNJC-WFASDCNBSA-N 1 0 247.382 3.923 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc(Cl)c1 ZINC000045115620 322843583 /nfs/dbraw/zinc/84/35/83/322843583.db2.gz GQBJXGDPTWDLKQ-JOYOIKCWSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc(Cl)c1 ZINC000045115623 322843641 /nfs/dbraw/zinc/84/36/41/322843641.db2.gz GQBJXGDPTWDLKQ-BXKDBHETSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(Cl)c1 ZINC000045115625 322843751 /nfs/dbraw/zinc/84/37/51/322843751.db2.gz GQBJXGDPTWDLKQ-CABZTGNLSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(Cl)c1 ZINC000045115627 322843596 /nfs/dbraw/zinc/84/35/96/322843596.db2.gz GQBJXGDPTWDLKQ-SKDRFNHKSA-N 1 0 223.747 3.789 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000045116065 171540426 /nfs/dbraw/zinc/54/04/26/171540426.db2.gz WOUXIFVPMOGHMT-QWHCGFSZSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000045116067 344560000 /nfs/dbraw/zinc/56/00/00/344560000.db2.gz WOUXIFVPMOGHMT-CHWSQXEVSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000045116069 344560029 /nfs/dbraw/zinc/56/00/29/344560029.db2.gz WOUXIFVPMOGHMT-STQMWFEESA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000045116071 170913226 /nfs/dbraw/zinc/91/32/26/170913226.db2.gz WOUXIFVPMOGHMT-OLZOCXBDSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000045116081 358559554 /nfs/dbraw/zinc/55/95/54/358559554.db2.gz JMHVWNMSWGRAJI-QWHCGFSZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000045116083 358559736 /nfs/dbraw/zinc/55/97/36/358559736.db2.gz JMHVWNMSWGRAJI-CHWSQXEVSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000045116086 358559684 /nfs/dbraw/zinc/55/96/84/358559684.db2.gz JMHVWNMSWGRAJI-STQMWFEESA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000045116088 358559711 /nfs/dbraw/zinc/55/97/11/358559711.db2.gz JMHVWNMSWGRAJI-OLZOCXBDSA-N 1 0 221.319 3.665 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045116149 358559701 /nfs/dbraw/zinc/55/97/01/358559701.db2.gz ZGQGRYCDOHPOTO-GXFFZTMASA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000045116151 387705674 /nfs/dbraw/zinc/70/56/74/387705674.db2.gz ZGQGRYCDOHPOTO-ZWNOBZJWSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045116153 358559717 /nfs/dbraw/zinc/55/97/17/358559717.db2.gz ZGQGRYCDOHPOTO-GWCFXTLKSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000045116155 358559831 /nfs/dbraw/zinc/55/98/31/358559831.db2.gz ZGQGRYCDOHPOTO-MFKMUULPSA-N 1 0 235.396 3.858 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116296 322843732 /nfs/dbraw/zinc/84/37/32/322843732.db2.gz MCAGCXAHDZVDIC-IINYFYTJSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116299 322843740 /nfs/dbraw/zinc/84/37/40/322843740.db2.gz MCAGCXAHDZVDIC-QMTHXVAHSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116301 384663097 /nfs/dbraw/zinc/66/30/97/384663097.db2.gz MCAGCXAHDZVDIC-HZMBPMFUSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116304 322843586 /nfs/dbraw/zinc/84/35/86/322843586.db2.gz MCAGCXAHDZVDIC-YGRLFVJLSA-N 1 0 229.323 3.882 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC2(C)C)c(C)s1 ZINC000045116597 178231755 /nfs/dbraw/zinc/23/17/55/178231755.db2.gz XLXVQGAXPYBFOL-BXKDBHETSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC2(C)C)c(C)s1 ZINC000045116600 178253572 /nfs/dbraw/zinc/25/35/72/178253572.db2.gz XLXVQGAXPYBFOL-JOYOIKCWSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC2(C)C)c(C)s1 ZINC000045116602 178232750 /nfs/dbraw/zinc/23/27/50/178232750.db2.gz XLXVQGAXPYBFOL-SKDRFNHKSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC2(C)C)c(C)s1 ZINC000045116605 178258411 /nfs/dbraw/zinc/25/84/11/178258411.db2.gz XLXVQGAXPYBFOL-CABZTGNLSA-N 1 0 223.385 3.814 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1cccs1 ZINC000045116612 344559186 /nfs/dbraw/zinc/55/91/86/344559186.db2.gz LAYZPFYBFRASJL-GXSJLCMTSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccs1 ZINC000045116614 170909432 /nfs/dbraw/zinc/90/94/32/170909432.db2.gz LAYZPFYBFRASJL-MWLCHTKSSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1cccs1 ZINC000045116616 171547577 /nfs/dbraw/zinc/54/75/77/171547577.db2.gz LAYZPFYBFRASJL-ONGXEEELSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1cccs1 ZINC000045116618 344559223 /nfs/dbraw/zinc/55/92/23/344559223.db2.gz LAYZPFYBFRASJL-KOLCDFICSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116922 384663227 /nfs/dbraw/zinc/66/32/27/384663227.db2.gz XINZLYXZRJIJDF-IONNQARKSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116924 384660690 /nfs/dbraw/zinc/66/06/90/384660690.db2.gz XINZLYXZRJIJDF-VXNVDRBHSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116926 384661859 /nfs/dbraw/zinc/66/18/59/384661859.db2.gz XINZLYXZRJIJDF-CBAPKCEASA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116928 384661828 /nfs/dbraw/zinc/66/18/28/384661828.db2.gz XINZLYXZRJIJDF-APPZFPTMSA-N 1 0 229.776 3.851 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000045117017 384375717 /nfs/dbraw/zinc/37/57/17/384375717.db2.gz BULTTXUAOBSFNJ-MGULZYLOSA-N 1 0 249.785 3.974 20 0 BHADRO CC1(C)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000045117020 384374916 /nfs/dbraw/zinc/37/49/16/384374916.db2.gz BULTTXUAOBSFNJ-QIMFLAQGSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC3(C)C)C2)cc1 ZINC000045117057 322843628 /nfs/dbraw/zinc/84/36/28/322843628.db2.gz IMNCIWHFSZSWFE-YMAMQOFZSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC3(C)C)C2)cc1 ZINC000045117060 322843591 /nfs/dbraw/zinc/84/35/91/322843591.db2.gz IMNCIWHFSZSWFE-NRXISQOPSA-N 1 0 229.367 3.629 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000045117074 323837284 /nfs/dbraw/zinc/83/72/84/323837284.db2.gz CPHADGOMDDMUFX-UBHUBRDASA-N 1 0 249.785 3.974 20 0 BHADRO CC1(C)C[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000045117077 387966357 /nfs/dbraw/zinc/96/63/57/387966357.db2.gz CPHADGOMDDMUFX-UXUKBGGZSA-N 1 0 249.785 3.974 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000045117099 323837276 /nfs/dbraw/zinc/83/72/76/323837276.db2.gz IZSPHXKCZOEEJA-UBHUBRDASA-N 1 0 249.785 3.974 20 0 BHADRO CC1(C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000045117102 387966306 /nfs/dbraw/zinc/96/63/06/387966306.db2.gz IZSPHXKCZOEEJA-UXUKBGGZSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC2(C)C)C1 ZINC000045117104 179256331 /nfs/dbraw/zinc/25/63/31/179256331.db2.gz RLDYQHZZFZWJLU-SSDMNJCBSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC2(C)C)C1 ZINC000045117106 179256267 /nfs/dbraw/zinc/25/62/67/179256267.db2.gz RLDYQHZZFZWJLU-PIMMBPRGSA-N 1 0 229.367 3.629 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1OC ZINC000045117222 358559698 /nfs/dbraw/zinc/55/96/98/358559698.db2.gz ZUDZEMWIISRURY-GXTWGEPZSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1OC ZINC000045117225 170909628 /nfs/dbraw/zinc/90/96/28/170909628.db2.gz ZUDZEMWIISRURY-TZMCWYRMSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1OC ZINC000045117227 358559643 /nfs/dbraw/zinc/55/96/43/358559643.db2.gz ZUDZEMWIISRURY-JSGCOSHPSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1OC ZINC000045117229 358559676 /nfs/dbraw/zinc/55/96/76/358559676.db2.gz ZUDZEMWIISRURY-OCCSQVGLSA-N 1 0 233.355 3.534 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000045117687 384663435 /nfs/dbraw/zinc/66/34/35/384663435.db2.gz GNNBLBUIMBDFDO-UONOGXRCSA-N 1 0 233.330 3.665 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000045117689 384663021 /nfs/dbraw/zinc/66/30/21/384663021.db2.gz GNNBLBUIMBDFDO-ZIAGYGMSSA-N 1 0 233.330 3.665 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000045117692 384661771 /nfs/dbraw/zinc/66/17/71/384661771.db2.gz GNNBLBUIMBDFDO-KBPBESRZSA-N 1 0 233.330 3.665 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000045117694 384663477 /nfs/dbraw/zinc/66/34/77/384663477.db2.gz GNNBLBUIMBDFDO-KGLIPLIRSA-N 1 0 233.330 3.665 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)s1 ZINC000045117998 384663287 /nfs/dbraw/zinc/66/32/87/384663287.db2.gz DAUOHYGLIXYICK-BXKDBHETSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)s1 ZINC000045118001 322843739 /nfs/dbraw/zinc/84/37/39/322843739.db2.gz DAUOHYGLIXYICK-JOYOIKCWSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)s1 ZINC000045118004 322843626 /nfs/dbraw/zinc/84/36/26/322843626.db2.gz DAUOHYGLIXYICK-SKDRFNHKSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)s1 ZINC000045118007 384661616 /nfs/dbraw/zinc/66/16/16/384661616.db2.gz DAUOHYGLIXYICK-CABZTGNLSA-N 1 0 223.385 3.760 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000045118017 527719312 /nfs/dbraw/zinc/71/93/12/527719312.db2.gz AWAGKHDPTMSFKO-KBPBESRZSA-N 1 0 215.340 3.526 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000045118019 187395348 /nfs/dbraw/zinc/39/53/48/187395348.db2.gz AWAGKHDPTMSFKO-KGLIPLIRSA-N 1 0 215.340 3.526 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000045118021 188085189 /nfs/dbraw/zinc/08/51/89/188085189.db2.gz AWAGKHDPTMSFKO-UONOGXRCSA-N 1 0 215.340 3.526 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000045118023 187743229 /nfs/dbraw/zinc/74/32/29/187743229.db2.gz AWAGKHDPTMSFKO-ZIAGYGMSSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000045118360 384662600 /nfs/dbraw/zinc/66/26/00/384662600.db2.gz UUPMETOJYWJLPG-GXTWGEPZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000045118363 384662187 /nfs/dbraw/zinc/66/21/87/384662187.db2.gz UUPMETOJYWJLPG-TZMCWYRMSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000045118365 384374286 /nfs/dbraw/zinc/37/42/86/384374286.db2.gz UUPMETOJYWJLPG-JSGCOSHPSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000045118367 384375255 /nfs/dbraw/zinc/37/52/55/384375255.db2.gz UUPMETOJYWJLPG-OCCSQVGLSA-N 1 0 217.356 3.568 20 0 BHADRO CCCC[NH2+]Cc1csc2ccccc12 ZINC000045206341 398039175 /nfs/dbraw/zinc/03/91/75/398039175.db2.gz GBDYDZKHHYFQGB-UHFFFAOYSA-N 1 0 219.353 3.791 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000045206398 167131469 /nfs/dbraw/zinc/13/14/69/167131469.db2.gz PVAXRDZBELWBOQ-JTQLQIEISA-N 1 0 219.353 3.960 20 0 BHADRO CC(C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000045206399 167137832 /nfs/dbraw/zinc/13/78/32/167137832.db2.gz PVAXRDZBELWBOQ-SNVBAGLBSA-N 1 0 219.353 3.960 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1csc2ccccc12 ZINC000045206400 387510676 /nfs/dbraw/zinc/51/06/76/387510676.db2.gz OLGWTPGWYVYLJQ-VIFPVBQESA-N 1 0 217.337 3.714 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1csc2ccccc12 ZINC000045206401 387511397 /nfs/dbraw/zinc/51/13/97/387511397.db2.gz OLGWTPGWYVYLJQ-SECBINFHSA-N 1 0 217.337 3.714 20 0 BHADRO CCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000045287156 386745861 /nfs/dbraw/zinc/74/58/61/386745861.db2.gz DTLLWCFERXMOOT-UHFFFAOYSA-N 1 0 218.275 3.586 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045598247 322844294 /nfs/dbraw/zinc/84/42/94/322844294.db2.gz SJNINOVVLYUUJI-HNNXBMFYSA-N 1 0 229.367 3.749 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045598248 322844280 /nfs/dbraw/zinc/84/42/80/322844280.db2.gz SJNINOVVLYUUJI-OAHLLOKOSA-N 1 0 229.367 3.749 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000045628776 322844301 /nfs/dbraw/zinc/84/43/01/322844301.db2.gz XLIJHQSTRGZCAM-KBPBESRZSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000045628777 384665411 /nfs/dbraw/zinc/66/54/11/384665411.db2.gz XLIJHQSTRGZCAM-KGLIPLIRSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000045628778 322844316 /nfs/dbraw/zinc/84/43/16/322844316.db2.gz XLIJHQSTRGZCAM-UONOGXRCSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000045628779 322844210 /nfs/dbraw/zinc/84/42/10/322844210.db2.gz XLIJHQSTRGZCAM-ZIAGYGMSSA-N 1 0 245.366 3.702 20 0 BHADRO c1ccc(C2CC([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000045629036 640616414 /nfs/dbraw/zinc/61/64/14/640616414.db2.gz RRSIRCXQMLWMMM-OOHWJJMZSA-N 1 0 241.378 3.879 20 0 BHADRO c1ccc(C2CC([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000045629037 640615363 /nfs/dbraw/zinc/61/53/63/640615363.db2.gz RRSIRCXQMLWMMM-ODIFPOPNSA-N 1 0 241.378 3.879 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC=CCC2)c(C)s1 ZINC000045629375 358415173 /nfs/dbraw/zinc/41/51/73/358415173.db2.gz QRHCQAYBNGUYFF-ZDUSSCGKSA-N 1 0 235.396 3.811 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC=CCC2)c(C)s1 ZINC000045629376 358415100 /nfs/dbraw/zinc/41/51/00/358415100.db2.gz QRHCQAYBNGUYFF-CYBMUJFWSA-N 1 0 235.396 3.811 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CC=CCC2)s1 ZINC000045630593 322844295 /nfs/dbraw/zinc/84/42/95/322844295.db2.gz UYSITCFVTPOBBC-LBPRGKRZSA-N 1 0 235.396 3.756 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000045630595 322844177 /nfs/dbraw/zinc/84/41/77/322844177.db2.gz UYSITCFVTPOBBC-GFCCVEGCSA-N 1 0 235.396 3.756 20 0 BHADRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000045655881 322844227 /nfs/dbraw/zinc/84/42/27/322844227.db2.gz BFLMXJDCYGZCKR-ZIAGYGMSSA-N 1 0 249.398 3.743 20 0 BHADRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000045655883 322844305 /nfs/dbraw/zinc/84/43/05/322844305.db2.gz BFLMXJDCYGZCKR-KGLIPLIRSA-N 1 0 249.398 3.743 20 0 BHADRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000045655885 384664311 /nfs/dbraw/zinc/66/43/11/384664311.db2.gz BFLMXJDCYGZCKR-UONOGXRCSA-N 1 0 249.398 3.743 20 0 BHADRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000045655887 322844174 /nfs/dbraw/zinc/84/41/74/322844174.db2.gz BFLMXJDCYGZCKR-KBPBESRZSA-N 1 0 249.398 3.743 20 0 BHADRO COC[C@H](C)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000045656034 358564322 /nfs/dbraw/zinc/56/43/22/358564322.db2.gz KILVKHURGXIKEI-ZBFHGGJFSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H](C)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000045656036 358563781 /nfs/dbraw/zinc/56/37/81/358563781.db2.gz KILVKHURGXIKEI-GDBMZVCRSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@@H](C)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000045656038 387718231 /nfs/dbraw/zinc/71/82/31/387718231.db2.gz KILVKHURGXIKEI-HOCLYGCPSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@@H](C)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000045656040 387719750 /nfs/dbraw/zinc/71/97/50/387719750.db2.gz KILVKHURGXIKEI-GOEBONIOSA-N 1 0 249.398 3.646 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)COC)cc1 ZINC000045656186 322844277 /nfs/dbraw/zinc/84/42/77/322844277.db2.gz SHLLOBNEQYZHIY-ZIAGYGMSSA-N 1 0 249.398 3.572 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]C[C@@H](C)COC)cc1 ZINC000045656188 322844296 /nfs/dbraw/zinc/84/42/96/322844296.db2.gz SHLLOBNEQYZHIY-KGLIPLIRSA-N 1 0 249.398 3.572 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]C[C@H](C)COC)cc1 ZINC000045656190 322844217 /nfs/dbraw/zinc/84/42/17/322844217.db2.gz SHLLOBNEQYZHIY-UONOGXRCSA-N 1 0 249.398 3.572 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]C[C@H](C)COC)cc1 ZINC000045656192 384664366 /nfs/dbraw/zinc/66/43/66/384664366.db2.gz SHLLOBNEQYZHIY-KBPBESRZSA-N 1 0 249.398 3.572 20 0 BHADRO COC[C@H](C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000045656891 322844307 /nfs/dbraw/zinc/84/43/07/322844307.db2.gz VFDPJBPZIUQBKQ-IAQYHMDHSA-N 1 0 249.398 3.545 20 0 BHADRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000045656893 322844291 /nfs/dbraw/zinc/84/42/91/322844291.db2.gz VFDPJBPZIUQBKQ-ABAIWWIYSA-N 1 0 249.398 3.545 20 0 BHADRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000045656895 384665296 /nfs/dbraw/zinc/66/52/96/384665296.db2.gz VFDPJBPZIUQBKQ-XHDPSFHLSA-N 1 0 249.398 3.545 20 0 BHADRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000045656897 322844303 /nfs/dbraw/zinc/84/43/03/322844303.db2.gz VFDPJBPZIUQBKQ-NHYWBVRUSA-N 1 0 249.398 3.545 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]C[C@@H](C)COC)cc1 ZINC000045657209 187395288 /nfs/dbraw/zinc/39/52/88/187395288.db2.gz HXDGIAKOGWVIGA-CZUORRHYSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]C[C@@H](C)COC)cc1 ZINC000045657211 387718944 /nfs/dbraw/zinc/71/89/44/387718944.db2.gz HXDGIAKOGWVIGA-CJNGLKHVSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]C[C@H](C)COC)cc1 ZINC000045657213 187743354 /nfs/dbraw/zinc/74/33/54/187743354.db2.gz HXDGIAKOGWVIGA-XJKSGUPXSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]C[C@H](C)COC)cc1 ZINC000045657216 387717950 /nfs/dbraw/zinc/71/79/50/387717950.db2.gz HXDGIAKOGWVIGA-BBRMVZONSA-N 1 0 249.398 3.572 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](C)COC)c1ccccc1 ZINC000045657665 169012265 /nfs/dbraw/zinc/01/22/65/169012265.db2.gz DIDHYLKKJCBFBT-ZBFHGGJFSA-N 1 0 249.398 3.790 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](C)COC)c1ccccc1 ZINC000045657667 358564059 /nfs/dbraw/zinc/56/40/59/358564059.db2.gz DIDHYLKKJCBFBT-GDBMZVCRSA-N 1 0 249.398 3.790 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](C)COC)c1ccccc1 ZINC000045657668 169011822 /nfs/dbraw/zinc/01/18/22/169011822.db2.gz DIDHYLKKJCBFBT-HOCLYGCPSA-N 1 0 249.398 3.790 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](C)COC)c1ccccc1 ZINC000045657670 358564011 /nfs/dbraw/zinc/56/40/11/358564011.db2.gz DIDHYLKKJCBFBT-GOEBONIOSA-N 1 0 249.398 3.790 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000045769871 342919031 /nfs/dbraw/zinc/91/90/31/342919031.db2.gz OYHDTECSUGEFRU-GFCCVEGCSA-N 1 0 246.354 3.694 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000045769872 342919113 /nfs/dbraw/zinc/91/91/13/342919113.db2.gz OYHDTECSUGEFRU-LBPRGKRZSA-N 1 0 246.354 3.694 20 0 BHADRO CCc1nc(C[N@H+](C)[C@@H](C)CC(C)C)cs1 ZINC000045770055 342919197 /nfs/dbraw/zinc/91/91/97/342919197.db2.gz FZSXBNXOFOIYOF-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO CCc1nc(C[N@H+](C)[C@H](C)CC(C)C)cs1 ZINC000045770056 342919022 /nfs/dbraw/zinc/91/90/22/342919022.db2.gz FZSXBNXOFOIYOF-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc2cccnc21 ZINC000045770612 387994528 /nfs/dbraw/zinc/99/45/28/387994528.db2.gz PTTMJKMZCRKTSL-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000045770771 343534026 /nfs/dbraw/zinc/53/40/26/343534026.db2.gz YIPZOAWSRKHOIC-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000045770796 387993511 /nfs/dbraw/zinc/99/35/11/387993511.db2.gz XECRCSIOXCSMSP-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO CC[N@H+](Cc1cccc2ccccc21)C1CC1 ZINC000045770813 342918866 /nfs/dbraw/zinc/91/88/66/342918866.db2.gz WGVMTEAEYCSHCB-UHFFFAOYSA-N 1 0 225.335 3.824 20 0 BHADRO CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000045770876 368432520 /nfs/dbraw/zinc/43/25/20/368432520.db2.gz JFDHHJSWPHYOIB-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H](C)CC(C)C)c1 ZINC000045823186 342929929 /nfs/dbraw/zinc/92/99/29/342929929.db2.gz FAFSXNMEIIIKDJ-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H](C)CC(C)C)c1 ZINC000045823187 342929934 /nfs/dbraw/zinc/92/99/34/342929934.db2.gz FAFSXNMEIIIKDJ-ZDUSSCGKSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@@H+](Cc1csc(C(C)C)n1)CC(C)C ZINC000046064162 388006829 /nfs/dbraw/zinc/00/68/29/388006829.db2.gz DFYAUVAHXHPFPQ-UHFFFAOYSA-N 1 0 240.416 3.744 20 0 BHADRO CCCc1nc(C[N@H+](CC)CC(C)C)cs1 ZINC000046064755 541380353 /nfs/dbraw/zinc/38/03/53/541380353.db2.gz ICBNKGVLUNYQKI-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC(C)=CC[N@H+](C)CCCc1ccccc1 ZINC000046087966 343539373 /nfs/dbraw/zinc/53/93/73/343539373.db2.gz CIGBNOFEJJVGCJ-UHFFFAOYSA-N 1 0 217.356 3.517 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046088863 368435384 /nfs/dbraw/zinc/43/53/84/368435384.db2.gz IPYMNVQICYUZFY-DGXRNCNBSA-N 1 0 227.760 3.638 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088865 368436342 /nfs/dbraw/zinc/43/63/42/368436342.db2.gz IPYMNVQICYUZFY-XGQHYKRYSA-N 1 0 227.760 3.638 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089415 384685838 /nfs/dbraw/zinc/68/58/38/384685838.db2.gz FCXZVEFDDSQGKW-CYBMUJFWSA-N 1 0 221.369 3.851 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089416 384686667 /nfs/dbraw/zinc/68/66/67/384686667.db2.gz FCXZVEFDDSQGKW-ZDUSSCGKSA-N 1 0 221.369 3.851 20 0 BHADRO Cc1[nH]c2c(cc(C)cc2C[NH2+]C(C)C)c1C ZINC000046184343 178017252 /nfs/dbraw/zinc/01/72/52/178017252.db2.gz PIJSCXYBYRHAFC-UHFFFAOYSA-N 1 0 230.355 3.591 20 0 BHADRO CC[NH+](CC)Cc1cc(Cl)cc2cccnc21 ZINC000046511161 388023735 /nfs/dbraw/zinc/02/37/35/388023735.db2.gz BOLGLGJQDRHXDE-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000046601507 388033461 /nfs/dbraw/zinc/03/34/61/388033461.db2.gz QDTAAPIOIAULBX-UHFFFAOYSA-N 1 0 230.138 3.588 20 0 BHADRO CCCC[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000046773122 343550321 /nfs/dbraw/zinc/55/03/21/343550321.db2.gz GWGGNDCMOFVZPZ-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2CCCCC2)on1 ZINC000047273650 411119095 /nfs/dbraw/zinc/11/90/95/411119095.db2.gz ZMNFGKMXNCICOY-AWEZNQCLSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CC2CCCCC2)on1 ZINC000047273651 411119040 /nfs/dbraw/zinc/11/90/40/411119040.db2.gz ZMNFGKMXNCICOY-CQSZACIVSA-N 1 0 248.370 3.700 20 0 BHADRO CCCCC[N@H+](Cc1c(C)noc1C)C(C)C ZINC000047628014 387776791 /nfs/dbraw/zinc/77/67/91/387776791.db2.gz WQCPYLGLANSZCT-UHFFFAOYSA-N 1 0 238.375 3.692 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000047687450 411162988 /nfs/dbraw/zinc/16/29/88/411162988.db2.gz HVKNXASNIMRRQA-NSHDSACASA-N 1 0 217.312 3.836 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000047687452 411162789 /nfs/dbraw/zinc/16/27/89/411162789.db2.gz HVKNXASNIMRRQA-LLVKDONJSA-N 1 0 217.312 3.836 20 0 BHADRO CCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000047698130 343436851 /nfs/dbraw/zinc/43/68/51/343436851.db2.gz DYSQFFSIOBBQAJ-SMDDNHRTSA-N 1 0 233.355 3.777 20 0 BHADRO CCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000047698131 343437141 /nfs/dbraw/zinc/43/71/41/343437141.db2.gz DYSQFFSIOBBQAJ-FZMZJTMJSA-N 1 0 233.355 3.777 20 0 BHADRO CCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000047698907 343441920 /nfs/dbraw/zinc/44/19/20/343441920.db2.gz CQOBPGQTGACPLW-UHFFFAOYSA-N 1 0 235.352 3.753 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000047698966 411162634 /nfs/dbraw/zinc/16/26/34/411162634.db2.gz RZTDAFCAXQFDSH-OAHLLOKOSA-N 1 0 233.355 3.632 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000047698967 411162581 /nfs/dbraw/zinc/16/25/81/411162581.db2.gz RZTDAFCAXQFDSH-HNNXBMFYSA-N 1 0 233.355 3.632 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000047698985 343015056 /nfs/dbraw/zinc/01/50/56/343015056.db2.gz KNBMELWUUSLMSE-UHFFFAOYSA-N 1 0 231.261 3.547 20 0 BHADRO CCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000047701248 343441404 /nfs/dbraw/zinc/44/14/04/343441404.db2.gz IRBPWHHDPBGETR-UHFFFAOYSA-N 1 0 231.261 3.547 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000047702194 411163164 /nfs/dbraw/zinc/16/31/64/411163164.db2.gz GNPISEDDTNVWDO-CYBMUJFWSA-N 1 0 223.747 3.887 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000047702196 411163018 /nfs/dbraw/zinc/16/30/18/411163018.db2.gz GNPISEDDTNVWDO-ZDUSSCGKSA-N 1 0 223.747 3.887 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000047702532 411163068 /nfs/dbraw/zinc/16/30/68/411163068.db2.gz BHOZNTARJLJKGL-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000047702534 411162877 /nfs/dbraw/zinc/16/28/77/411162877.db2.gz BHOZNTARJLJKGL-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CCC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000047703469 411163427 /nfs/dbraw/zinc/16/34/27/411163427.db2.gz UYPFBAHFNRXJIF-UHFFFAOYSA-N 1 0 243.350 3.690 20 0 BHADRO CCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000047717206 343467237 /nfs/dbraw/zinc/46/72/37/343467237.db2.gz PGKDESCMZKMMFO-UHFFFAOYSA-N 1 0 229.323 3.692 20 0 BHADRO CCC[N@H+](C)Cc1csc2ccccc12 ZINC000047719457 343474660 /nfs/dbraw/zinc/47/46/60/343474660.db2.gz BTHRRWATUYFBQK-UHFFFAOYSA-N 1 0 219.353 3.743 20 0 BHADRO CC(C)c1nc(C[N@H+](C)C2CCCC2)cs1 ZINC000047723717 397975862 /nfs/dbraw/zinc/97/58/62/397975862.db2.gz AWDNTJPYTUACRQ-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO Cc1cccc(C[NH2+]CCc2ccsc2)c1C ZINC000047848535 179092371 /nfs/dbraw/zinc/09/23/71/179092371.db2.gz IXXAAJUMHJDKPK-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccco2)c1C ZINC000047850328 179096854 /nfs/dbraw/zinc/09/68/54/179096854.db2.gz NLTVNKVPZMEOIM-ZDUSSCGKSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)Cc2ccco2)c1C ZINC000047850330 179100521 /nfs/dbraw/zinc/10/05/21/179100521.db2.gz NLTVNKVPZMEOIM-CYBMUJFWSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccc(F)c2)c1C ZINC000047850346 179093327 /nfs/dbraw/zinc/09/33/27/179093327.db2.gz DEHSIKYDYWWNRZ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C)s1 ZINC000047888201 384667972 /nfs/dbraw/zinc/66/79/72/384667972.db2.gz HDXSIIRPQHHDJM-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO Cl/C=C/C[N@H+](C1CC1)C1CCCCC1 ZINC000047904036 643688554 /nfs/dbraw/zinc/68/85/54/643688554.db2.gz BEYDJGUSUGQPML-RUDMXATFSA-N 1 0 213.752 3.536 20 0 BHADRO CC(C)=CC[N@H+](C1CC1)C1CCCCC1 ZINC000047904585 411167461 /nfs/dbraw/zinc/16/74/61/411167461.db2.gz JUQNBVMBXCJFNO-UHFFFAOYSA-N 1 0 207.361 3.750 20 0 BHADRO CC[C@@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000047943348 384668769 /nfs/dbraw/zinc/66/87/69/384668769.db2.gz UCCAWJNQEUVDML-CYBMUJFWSA-N 1 0 243.350 3.607 20 0 BHADRO CC[C@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000047943350 384668961 /nfs/dbraw/zinc/66/89/61/384668961.db2.gz UCCAWJNQEUVDML-ZDUSSCGKSA-N 1 0 243.350 3.607 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C/C=C/Cl)cc1 ZINC000047959707 643689739 /nfs/dbraw/zinc/68/97/39/643689739.db2.gz JHOCQRRYVYMAAP-OXFRDRNISA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C/C=C/Cl)cc1 ZINC000047959708 641671279 /nfs/dbraw/zinc/67/12/79/641671279.db2.gz JHOCQRRYVYMAAP-KFRNIWOLSA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000047960035 487881525 /nfs/dbraw/zinc/88/15/25/487881525.db2.gz GPIJKWSYTCQNTF-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000047960036 487880990 /nfs/dbraw/zinc/88/09/90/487880990.db2.gz GPIJKWSYTCQNTF-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000047965404 350784519 /nfs/dbraw/zinc/78/45/19/350784519.db2.gz FIBLCZBGVVJFHQ-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1F)C1CCCC1 ZINC000047966182 342930642 /nfs/dbraw/zinc/93/06/42/342930642.db2.gz BRMVJTFWWLFKCN-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CC[N@H+](Cc1ccccc1F)C1CCCC1 ZINC000047966699 342930448 /nfs/dbraw/zinc/93/04/48/342930448.db2.gz VOYHDSGSJSXVTN-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CC[N@H+](Cc1ccc(F)cc1)C1CCCC1 ZINC000047967574 342930318 /nfs/dbraw/zinc/93/03/18/342930318.db2.gz PMXAYADDCHERGD-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1ccncc1 ZINC000047979951 712722953 /nfs/dbraw/zinc/72/29/53/712722953.db2.gz KLUSPLIQHSMDLU-CQSZACIVSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1ccncc1 ZINC000047979952 712722786 /nfs/dbraw/zinc/72/27/86/712722786.db2.gz KLUSPLIQHSMDLU-AWEZNQCLSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCC[NH+](CCCCC)C[C@@H]1CCOC1 ZINC000047983958 343683659 /nfs/dbraw/zinc/68/36/59/343683659.db2.gz MCFINNVMKQDYPM-HNNXBMFYSA-N 1 0 241.419 3.705 20 0 BHADRO CCCCC[NH+](CCCCC)C[C@H]1CCOC1 ZINC000047983959 343683727 /nfs/dbraw/zinc/68/37/27/343683727.db2.gz MCFINNVMKQDYPM-OAHLLOKOSA-N 1 0 241.419 3.705 20 0 BHADRO CCCCc1nc(CN(C)CCCC)cs1 ZINC000048056386 323114534 /nfs/dbraw/zinc/11/45/34/323114534.db2.gz AKAYEIJJIKLEMF-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCCCN(C)Cc1csc(C(C)(C)C)n1 ZINC000048056390 323114480 /nfs/dbraw/zinc/11/44/80/323114480.db2.gz AKYWKRSGJADJKJ-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CC[N@H+](C/C=C/Cl)Cc1ccccc1C ZINC000048059159 641674497 /nfs/dbraw/zinc/67/44/97/641674497.db2.gz OOXYJBLHFGOUAR-RMKNXTFCSA-N 1 0 223.747 3.569 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C)s1 ZINC000048068643 384671928 /nfs/dbraw/zinc/67/19/28/384671928.db2.gz GDNOLLBBDLDKHO-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2C)s1 ZINC000048068679 384475323 /nfs/dbraw/zinc/47/53/23/384475323.db2.gz GELUBLUYZKUHPN-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2C)s1 ZINC000048068681 384671842 /nfs/dbraw/zinc/67/18/42/384671842.db2.gz KVANRTANIISZBW-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C)c2C)s1 ZINC000048068700 178617013 /nfs/dbraw/zinc/61/70/13/178617013.db2.gz WKNZTVPTLFPJPW-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)c(C)c2)s1 ZINC000048068702 178615612 /nfs/dbraw/zinc/61/56/12/178615612.db2.gz HISWKIUKEMAWPQ-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)s2)cc1 ZINC000048068782 322845537 /nfs/dbraw/zinc/84/55/37/322845537.db2.gz LQEACDMPOLWZMS-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CCCc1nc(C[N@@H+](C)[C@@H](C)CCC)cs1 ZINC000048070755 343708245 /nfs/dbraw/zinc/70/82/45/343708245.db2.gz LUSQMZKLAFNMSQ-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CCCc1nc(C[N@@H+](C)[C@H](C)CCC)cs1 ZINC000048070756 343708070 /nfs/dbraw/zinc/70/80/70/343708070.db2.gz LUSQMZKLAFNMSQ-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000048070899 343708772 /nfs/dbraw/zinc/70/87/72/343708772.db2.gz NGSXXPFXYHDNTF-LLVKDONJSA-N 1 0 248.326 3.555 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000048070900 343708510 /nfs/dbraw/zinc/70/85/10/343708510.db2.gz NGSXXPFXYHDNTF-NSHDSACASA-N 1 0 248.326 3.555 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1F ZINC000048071253 350792628 /nfs/dbraw/zinc/79/26/28/350792628.db2.gz MQAUCNDENNCKGO-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc(F)c1F ZINC000048071254 350792572 /nfs/dbraw/zinc/79/25/72/350792572.db2.gz MQAUCNDENNCKGO-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO Cc1cccc(C[NH2+]CCc2ccccc2)c1C ZINC000048219015 179092227 /nfs/dbraw/zinc/09/22/27/179092227.db2.gz NHMVJGMAQYTSNH-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000048241943 487894116 /nfs/dbraw/zinc/89/41/16/487894116.db2.gz MNDFPJRZBZWSFN-GFCCVEGCSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000048241945 487894130 /nfs/dbraw/zinc/89/41/30/487894130.db2.gz MNDFPJRZBZWSFN-LBPRGKRZSA-N 1 0 205.345 3.582 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(F)cc2)c1C ZINC000048241955 179093275 /nfs/dbraw/zinc/09/32/75/179093275.db2.gz CBPGADLFQNRCFA-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1C ZINC000048241964 179098794 /nfs/dbraw/zinc/09/87/94/179098794.db2.gz UJFJPFBSVABWBQ-XJKSGUPXSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1C ZINC000048241967 179101796 /nfs/dbraw/zinc/10/17/96/179101796.db2.gz UJFJPFBSVABWBQ-BBRMVZONSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1C ZINC000048241969 179097396 /nfs/dbraw/zinc/09/73/96/179097396.db2.gz UJFJPFBSVABWBQ-CZUORRHYSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1C ZINC000048241971 179101153 /nfs/dbraw/zinc/10/11/53/179101153.db2.gz UJFJPFBSVABWBQ-CJNGLKHVSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C)c2C)cc1 ZINC000048241981 343015733 /nfs/dbraw/zinc/01/57/33/343015733.db2.gz AUEKECULBGURDO-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccccc2F)c1C ZINC000048242005 179095197 /nfs/dbraw/zinc/09/51/97/179095197.db2.gz BCWDONMCJZPYPV-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCc1ccncc1 ZINC000048261612 166778612 /nfs/dbraw/zinc/77/86/12/166778612.db2.gz QJENMHICOBVQDP-UHFFFAOYSA-N 1 0 248.414 3.675 20 0 BHADRO CC(C)[N@@H+](Cc1ccccn1)CC1CCCCC1 ZINC000048273589 411183449 /nfs/dbraw/zinc/18/34/49/411183449.db2.gz CUQMHUCGWXOXCW-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccccn2)c1C ZINC000048298354 179097911 /nfs/dbraw/zinc/09/79/11/179097911.db2.gz HZUGJPHDNMERRQ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccccn2)c1C ZINC000048298357 179100737 /nfs/dbraw/zinc/10/07/37/179100737.db2.gz HZUGJPHDNMERRQ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cccc(C)c1C ZINC000048298375 179283575 /nfs/dbraw/zinc/28/35/75/179283575.db2.gz GSDBJYWNSPWQIJ-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cccc(C[NH2+]CCc2cccs2)c1C ZINC000048298378 179092400 /nfs/dbraw/zinc/09/24/00/179092400.db2.gz GMULKDDCBMMMSM-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cccnc2)c1C ZINC000048298675 179098646 /nfs/dbraw/zinc/09/86/46/179098646.db2.gz LNKWVVVYOHFQES-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cccnc2)c1C ZINC000048298678 179100354 /nfs/dbraw/zinc/10/03/54/179100354.db2.gz LNKWVVVYOHFQES-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCCCC1 ZINC000048329550 176082538 /nfs/dbraw/zinc/08/25/38/176082538.db2.gz KCMYJKQJZPDSTE-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCCCC1 ZINC000048329551 177084749 /nfs/dbraw/zinc/08/47/49/177084749.db2.gz KCMYJKQJZPDSTE-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCCCC1 ZINC000048329553 176089950 /nfs/dbraw/zinc/08/99/50/176089950.db2.gz KCMYJKQJZPDSTE-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCCCC1 ZINC000048329555 177089586 /nfs/dbraw/zinc/08/95/86/177089586.db2.gz KCMYJKQJZPDSTE-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1CCC([NH2+]Cc2cccc(C)n2)CC1 ZINC000048329793 350813573 /nfs/dbraw/zinc/81/35/73/350813573.db2.gz DWIXOYWHWFKUGE-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CC(C)C[NH2+]CCc1cccc(Cl)c1Cl ZINC000048330355 384673691 /nfs/dbraw/zinc/67/36/91/384673691.db2.gz SIOZWIBXWYBJIV-UHFFFAOYSA-N 1 0 246.181 3.782 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)o1 ZINC000048408845 358634291 /nfs/dbraw/zinc/63/42/91/358634291.db2.gz YAYLTVCJMVKIOK-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000048416623 322845955 /nfs/dbraw/zinc/84/59/55/322845955.db2.gz RZJRSLKQNYURPA-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000048416626 322845778 /nfs/dbraw/zinc/84/57/78/322845778.db2.gz RZJRSLKQNYURPA-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000048416627 322845849 /nfs/dbraw/zinc/84/58/49/322845849.db2.gz RZJRSLKQNYURPA-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000048416628 322845853 /nfs/dbraw/zinc/84/58/53/322845853.db2.gz RZJRSLKQNYURPA-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(SCC[NH2+]C2CCCC2)cc1 ZINC000048435976 384675047 /nfs/dbraw/zinc/67/50/47/384675047.db2.gz VOFMFORLLMXPMY-UHFFFAOYSA-N 1 0 235.396 3.619 20 0 BHADRO Cc1ccc(OCC[NH2+]C2CCC(C)CC2)cc1 ZINC000048436104 343002600 /nfs/dbraw/zinc/00/26/00/343002600.db2.gz MGASRIHAXGQKGC-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000048436113 322845892 /nfs/dbraw/zinc/84/58/92/322845892.db2.gz WQZUOHVEVACUPX-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000048436116 384676960 /nfs/dbraw/zinc/67/69/60/384676960.db2.gz WQZUOHVEVACUPX-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000048436119 322845908 /nfs/dbraw/zinc/84/59/08/322845908.db2.gz WQZUOHVEVACUPX-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000048436122 322845795 /nfs/dbraw/zinc/84/57/95/322845795.db2.gz WQZUOHVEVACUPX-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[NH2+]CCCSc1ccc(F)cc1 ZINC000048436268 535169079 /nfs/dbraw/zinc/16/90/79/535169079.db2.gz VQPABWOEJPMZIJ-UHFFFAOYSA-N 1 0 241.375 3.554 20 0 BHADRO CCC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000048436428 168519848 /nfs/dbraw/zinc/51/98/48/168519848.db2.gz VTDPVFRQDARAOB-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1cccc(OCC[NH2+]C2CCC(C)CC2)c1 ZINC000048436981 179168125 /nfs/dbraw/zinc/16/81/25/179168125.db2.gz PYRDHRRCBPJNSZ-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000048437035 179167823 /nfs/dbraw/zinc/16/78/23/179167823.db2.gz VBUSCDUGYBQODI-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000048437038 179167689 /nfs/dbraw/zinc/16/76/89/179167689.db2.gz VBUSCDUGYBQODI-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000048437040 179168603 /nfs/dbraw/zinc/16/86/03/179168603.db2.gz VBUSCDUGYBQODI-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000048437043 179168855 /nfs/dbraw/zinc/16/88/55/179168855.db2.gz VBUSCDUGYBQODI-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[NH2+]CCSc1ccc(Cl)cc1 ZINC000048462753 322846231 /nfs/dbraw/zinc/84/62/31/322846231.db2.gz XEPKYQDIJPRCPS-UHFFFAOYSA-N 1 0 243.803 3.678 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)s1 ZINC000048463019 344587033 /nfs/dbraw/zinc/58/70/33/344587033.db2.gz FUSAFMFHLHGYQT-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO CCCC[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000048521505 643601238 /nfs/dbraw/zinc/60/12/38/643601238.db2.gz WMMJZNONCJSYCG-UHFFFAOYSA-N 1 0 245.288 3.638 20 0 BHADRO CCCC[NH2+]CCSc1ccc(Cl)cc1 ZINC000048521538 631860243 /nfs/dbraw/zinc/86/02/43/631860243.db2.gz DJCKMXBBEHDOTP-UHFFFAOYSA-N 1 0 243.803 3.822 20 0 BHADRO CO[C@@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000048557596 322846098 /nfs/dbraw/zinc/84/60/98/322846098.db2.gz JUZKQVOIZYVMOZ-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CO[C@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000048557600 322846169 /nfs/dbraw/zinc/84/61/69/322846169.db2.gz JUZKQVOIZYVMOZ-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000048557632 358640627 /nfs/dbraw/zinc/64/06/27/358640627.db2.gz KHKNBVOLGNEIAY-ZDUSSCGKSA-N 1 0 231.364 3.789 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000048557636 534933100 /nfs/dbraw/zinc/93/31/00/534933100.db2.gz KHKNBVOLGNEIAY-CYBMUJFWSA-N 1 0 231.364 3.789 20 0 BHADRO CC(C)CC[NH2+]CCSCc1ccccc1 ZINC000048580096 322846107 /nfs/dbraw/zinc/84/61/07/322846107.db2.gz MAMKXXRVSZKUBW-UHFFFAOYSA-N 1 0 237.412 3.556 20 0 BHADRO C[C@H](OCCC[NH2+]C1CCCC1)c1ccccc1 ZINC000048580154 177021289 /nfs/dbraw/zinc/02/12/89/177021289.db2.gz FBWKROMMBZICNO-AWEZNQCLSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H](OCCC[NH2+]C1CCCC1)c1ccccc1 ZINC000048580157 176002639 /nfs/dbraw/zinc/00/26/39/176002639.db2.gz FBWKROMMBZICNO-CQSZACIVSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000048614925 384500788 /nfs/dbraw/zinc/50/07/88/384500788.db2.gz LOBPCXFGOIKAAQ-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CC(C)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000048655343 167010524 /nfs/dbraw/zinc/01/05/24/167010524.db2.gz PXYFOAUMDZNJRI-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cccnc21)C(C)C ZINC000049127132 641708632 /nfs/dbraw/zinc/70/86/32/641708632.db2.gz YGOYOCMYDZPULM-HNNXBMFYSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2cccnc21)C(C)C ZINC000049127135 641708367 /nfs/dbraw/zinc/70/83/67/641708367.db2.gz YGOYOCMYDZPULM-OAHLLOKOSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1CCC(C)CC1 ZINC000049154160 323159031 /nfs/dbraw/zinc/15/90/31/323159031.db2.gz WESZYWPBADDFLR-LXVYMNJGSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1CCC(C)CC1 ZINC000049154163 323159033 /nfs/dbraw/zinc/15/90/33/323159033.db2.gz WESZYWPBADDFLR-MBHSVXNSSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049154494 323159040 /nfs/dbraw/zinc/15/90/40/323159040.db2.gz CHIMYVABBXRRED-NEPJUHHUSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049154497 323159010 /nfs/dbraw/zinc/15/90/10/323159010.db2.gz CHIMYVABBXRRED-RYUDHWBXSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000049154500 323159057 /nfs/dbraw/zinc/15/90/57/323159057.db2.gz CHIMYVABBXRRED-VXGBXAGGSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000049154503 323159077 /nfs/dbraw/zinc/15/90/77/323159077.db2.gz CHIMYVABBXRRED-NWDGAFQWSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccco1 ZINC000049154659 323159132 /nfs/dbraw/zinc/15/91/32/323159132.db2.gz GQKWZABMJCXCBL-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccco1 ZINC000049154661 323159080 /nfs/dbraw/zinc/15/90/80/323159080.db2.gz GQKWZABMJCXCBL-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccco1 ZINC000049154664 323159014 /nfs/dbraw/zinc/15/90/14/323159014.db2.gz GQKWZABMJCXCBL-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccco1 ZINC000049154667 323159036 /nfs/dbraw/zinc/15/90/36/323159036.db2.gz GQKWZABMJCXCBL-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)o1 ZINC000049154709 386668635 /nfs/dbraw/zinc/66/86/35/386668635.db2.gz PBOWVTBKHXPQIR-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)o1 ZINC000049154712 386668775 /nfs/dbraw/zinc/66/87/75/386668775.db2.gz PBOWVTBKHXPQIR-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)o1 ZINC000049154715 386668344 /nfs/dbraw/zinc/66/83/44/386668344.db2.gz PBOWVTBKHXPQIR-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)o1 ZINC000049154718 386668763 /nfs/dbraw/zinc/66/87/63/386668763.db2.gz PBOWVTBKHXPQIR-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049155701 343093761 /nfs/dbraw/zinc/09/37/61/343093761.db2.gz KBLBLQOMUDDOCT-NEPJUHHUSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049155704 343093594 /nfs/dbraw/zinc/09/35/94/343093594.db2.gz KBLBLQOMUDDOCT-RYUDHWBXSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049155708 343093720 /nfs/dbraw/zinc/09/37/20/343093720.db2.gz KBLBLQOMUDDOCT-VXGBXAGGSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049155711 343093723 /nfs/dbraw/zinc/09/37/23/343093723.db2.gz KBLBLQOMUDDOCT-NWDGAFQWSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049155789 323159237 /nfs/dbraw/zinc/15/92/37/323159237.db2.gz BPMUJIYPWXDTHH-SDDRHHMPSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049155795 323159200 /nfs/dbraw/zinc/15/92/00/323159200.db2.gz BPMUJIYPWXDTHH-SRVKXCTJSA-N 1 0 225.401 3.703 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049156607 323159236 /nfs/dbraw/zinc/15/92/36/323159236.db2.gz AYCNLGCCHKOMLD-NEPJUHHUSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049156610 323159216 /nfs/dbraw/zinc/15/92/16/323159216.db2.gz AYCNLGCCHKOMLD-RYUDHWBXSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000049156614 323159218 /nfs/dbraw/zinc/15/92/18/323159218.db2.gz AYCNLGCCHKOMLD-VXGBXAGGSA-N 1 0 225.401 3.847 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000049156617 323159244 /nfs/dbraw/zinc/15/92/44/323159244.db2.gz AYCNLGCCHKOMLD-NWDGAFQWSA-N 1 0 225.401 3.847 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccsc1)C(C)C ZINC000049156620 323159166 /nfs/dbraw/zinc/15/91/66/323159166.db2.gz VAHVTLUPPGQIJA-AAEUAGOBSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C(C)C ZINC000049156623 323159190 /nfs/dbraw/zinc/15/91/90/323159190.db2.gz VAHVTLUPPGQIJA-WCQYABFASA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)C(C)C ZINC000049156628 323159165 /nfs/dbraw/zinc/15/91/65/323159165.db2.gz VAHVTLUPPGQIJA-YPMHNXCESA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccsc1)C(C)C ZINC000049156632 323159260 /nfs/dbraw/zinc/15/92/60/323159260.db2.gz VAHVTLUPPGQIJA-DGCLKSJQSA-N 1 0 225.401 3.703 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)o1 ZINC000049157849 178623014 /nfs/dbraw/zinc/62/30/14/178623014.db2.gz QRHVVODBEPYBRR-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)o1 ZINC000049157853 411228023 /nfs/dbraw/zinc/22/80/23/411228023.db2.gz QRHVVODBEPYBRR-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2)s1 ZINC000049157872 384521915 /nfs/dbraw/zinc/52/19/15/384521915.db2.gz ABULEYZAXMNCEN-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2)s1 ZINC000049157876 383877312 /nfs/dbraw/zinc/87/73/12/383877312.db2.gz ABULEYZAXMNCEN-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)s1 ZINC000049158612 641710312 /nfs/dbraw/zinc/71/03/12/641710312.db2.gz GLWMJZZNNQZXKC-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)s1 ZINC000049158617 641711469 /nfs/dbraw/zinc/71/14/69/641711469.db2.gz GLWMJZZNNQZXKC-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049159082 322846711 /nfs/dbraw/zinc/84/67/11/322846711.db2.gz OFDIALLNJILUDU-KOLCDFICSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049159086 322846626 /nfs/dbraw/zinc/84/66/26/322846626.db2.gz OFDIALLNJILUDU-ONGXEEELSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049159091 322846556 /nfs/dbraw/zinc/84/65/56/322846556.db2.gz OFDIALLNJILUDU-MWLCHTKSSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049159095 384675462 /nfs/dbraw/zinc/67/54/62/384675462.db2.gz OFDIALLNJILUDU-GXSJLCMTSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000049159521 636029607 /nfs/dbraw/zinc/02/96/07/636029607.db2.gz QSKLGRLSMIPRKJ-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000049159526 636029617 /nfs/dbraw/zinc/02/96/17/636029617.db2.gz QSKLGRLSMIPRKJ-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)s1 ZINC000049159530 636030121 /nfs/dbraw/zinc/03/01/21/636030121.db2.gz QSKLGRLSMIPRKJ-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)s1 ZINC000049159535 636029661 /nfs/dbraw/zinc/02/96/61/636029661.db2.gz QSKLGRLSMIPRKJ-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)s1 ZINC000049159805 636029740 /nfs/dbraw/zinc/02/97/40/636029740.db2.gz LIFVPODMJKYYBU-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)s1 ZINC000049159810 636030125 /nfs/dbraw/zinc/03/01/25/636030125.db2.gz LIFVPODMJKYYBU-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CCC(C)(C)C ZINC000049181779 343094356 /nfs/dbraw/zinc/09/43/56/343094356.db2.gz CEGDPIZMBTVDRY-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CCC(C)(C)C ZINC000049181781 343094110 /nfs/dbraw/zinc/09/41/10/343094110.db2.gz CEGDPIZMBTVDRY-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO Cc1ccc([C@H](C)Nc2cc[nH+]cc2)s1 ZINC000049184458 178901465 /nfs/dbraw/zinc/90/14/65/178901465.db2.gz WFLFAKJIRHCEAA-JTQLQIEISA-N 1 0 218.325 3.625 20 0 BHADRO CCc1ccc(C[NH2+]C(C2CC2)C2CC2)s1 ZINC000049234996 356389853 /nfs/dbraw/zinc/38/98/53/356389853.db2.gz CUTZHULLAQBEMV-UHFFFAOYSA-N 1 0 235.396 3.589 20 0 BHADRO c1ccc2c(NC(C3CC3)C3CC3)cc[nH+]c2c1 ZINC000049235828 384676871 /nfs/dbraw/zinc/67/68/71/384676871.db2.gz PEYOJHGUFYVMGN-UHFFFAOYSA-N 1 0 238.334 3.835 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C2(C)CCCC2)c1 ZINC000049256777 322845766 /nfs/dbraw/zinc/84/57/66/322845766.db2.gz OIMMPXHKBRZFHO-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000049256787 322845777 /nfs/dbraw/zinc/84/57/77/322845777.db2.gz PVWZDQOIBNEFFL-TZMCWYRMSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000049256789 322845947 /nfs/dbraw/zinc/84/59/47/322845947.db2.gz PVWZDQOIBNEFFL-GXTWGEPZSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000049256791 384675253 /nfs/dbraw/zinc/67/52/53/384675253.db2.gz PVWZDQOIBNEFFL-OCCSQVGLSA-N 1 0 219.372 3.828 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000049256793 322846054 /nfs/dbraw/zinc/84/60/54/322846054.db2.gz PVWZDQOIBNEFFL-JSGCOSHPSA-N 1 0 219.372 3.828 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C3CCCC3)cc2c1C ZINC000049336808 322929105 /nfs/dbraw/zinc/92/91/05/322929105.db2.gz BVGMTQGURVFZDI-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO CC(C)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000049442829 643073146 /nfs/dbraw/zinc/07/31/46/643073146.db2.gz PRLMESGUINRBDJ-UHFFFAOYSA-N 1 0 242.366 3.756 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccs1 ZINC000049529322 631886305 /nfs/dbraw/zinc/88/63/05/631886305.db2.gz IWRRMHSMDTUUOA-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccs1 ZINC000049529323 643082108 /nfs/dbraw/zinc/08/21/08/643082108.db2.gz IWRRMHSMDTUUOA-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1cccs1 ZINC000049529324 643082249 /nfs/dbraw/zinc/08/22/49/643082249.db2.gz IWRRMHSMDTUUOA-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccs1 ZINC000049529325 643082880 /nfs/dbraw/zinc/08/28/80/643082880.db2.gz IWRRMHSMDTUUOA-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]Cc1cccn1C)c1ccc(C)cc1 ZINC000049537314 343601423 /nfs/dbraw/zinc/60/14/23/343601423.db2.gz DICISRASNXLZKN-INIZCTEOSA-N 1 0 242.366 3.574 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccn1C)c1ccc(C)cc1 ZINC000049537315 343601148 /nfs/dbraw/zinc/60/11/48/343601148.db2.gz DICISRASNXLZKN-MRXNPFEDSA-N 1 0 242.366 3.574 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccn1C)c1ccccc1 ZINC000049537852 169511882 /nfs/dbraw/zinc/51/18/82/169511882.db2.gz XSYQYFHGKJSNDP-INIZCTEOSA-N 1 0 242.366 3.656 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccn1C)c1ccccc1 ZINC000049537853 384543421 /nfs/dbraw/zinc/54/34/21/384543421.db2.gz XSYQYFHGKJSNDP-MRXNPFEDSA-N 1 0 242.366 3.656 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000049543312 343017983 /nfs/dbraw/zinc/01/79/83/343017983.db2.gz ZZJKDROHHPDVEY-UHFFFAOYSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000049543403 343017962 /nfs/dbraw/zinc/01/79/62/343017962.db2.gz JYFCTEVMWIYIJM-UHFFFAOYSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC1CCC([NH2+]CCCSC)CC1 ZINC000049543488 322847520 /nfs/dbraw/zinc/84/75/20/322847520.db2.gz GHTYZKDUMGMUBN-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC1CCC([NH2+]C2CCSCC2)CC1 ZINC000049543663 711448804 /nfs/dbraw/zinc/44/88/04/711448804.db2.gz VVXCORVIWGMBEQ-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC1CCC([NH2+]Cc2cscn2)CC1 ZINC000049543750 711448945 /nfs/dbraw/zinc/44/89/45/711448945.db2.gz ANDZREUXNXTUIS-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO Cc1ccc([C@H](C)Nc2cccc(C)n2)cc1 ZINC000049558458 353168165 /nfs/dbraw/zinc/16/81/65/353168165.db2.gz SATZOWKMHUUPQF-ZDUSSCGKSA-N 1 0 226.323 3.872 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577486 487595529 /nfs/dbraw/zinc/59/55/29/487595529.db2.gz TYBQEVBKNFMGFA-SNVBAGLBSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577487 322846627 /nfs/dbraw/zinc/84/66/27/322846627.db2.gz TYBQEVBKNFMGFA-JTQLQIEISA-N 1 0 227.298 3.633 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1csc(CC)n1 ZINC000049591162 643097056 /nfs/dbraw/zinc/09/70/56/643097056.db2.gz WHNXVMRBHJJYQR-LLVKDONJSA-N 1 0 240.416 3.764 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1csc(CC)n1 ZINC000049591163 643096169 /nfs/dbraw/zinc/09/61/69/643096169.db2.gz WHNXVMRBHJJYQR-NSHDSACASA-N 1 0 240.416 3.764 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccc(C)o2)cc1 ZINC000049592769 643096943 /nfs/dbraw/zinc/09/69/43/643096943.db2.gz KKWQEZBEDFSYKY-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO CC[C@@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC000049633049 384680690 /nfs/dbraw/zinc/68/06/90/384680690.db2.gz SABWSRMPBSOGMH-SNVBAGLBSA-N 1 0 243.803 3.820 20 0 BHADRO CC[C@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC000049633050 384680052 /nfs/dbraw/zinc/68/00/52/384680052.db2.gz SABWSRMPBSOGMH-JTQLQIEISA-N 1 0 243.803 3.820 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(C)sc1C ZINC000049684790 168298936 /nfs/dbraw/zinc/29/89/36/168298936.db2.gz UJPYRVYLOZFALP-UHFFFAOYSA-N 1 0 211.374 3.643 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccccc2)c(C)s1 ZINC000049684812 323162991 /nfs/dbraw/zinc/16/29/91/323162991.db2.gz JTTRMIXSCXSXSI-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CCCCC[NH2+]Cc1cc(C)sc1C ZINC000049684820 488314066 /nfs/dbraw/zinc/31/40/66/488314066.db2.gz KYORIZDTGXXDOE-UHFFFAOYSA-N 1 0 211.374 3.645 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049684827 488314165 /nfs/dbraw/zinc/31/41/65/488314165.db2.gz WUMRFSCPBIYQSQ-SECBINFHSA-N 1 0 211.374 3.643 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049684829 488314008 /nfs/dbraw/zinc/31/40/08/488314008.db2.gz WUMRFSCPBIYQSQ-VIFPVBQESA-N 1 0 211.374 3.643 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)C)c(C)s1 ZINC000049684885 323163021 /nfs/dbraw/zinc/16/30/21/323163021.db2.gz OYIHVJDXGKWHGZ-UHFFFAOYSA-N 1 0 211.374 3.501 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccccc2)c(C)s1 ZINC000049684937 178023350 /nfs/dbraw/zinc/02/33/50/178023350.db2.gz DFLVBFJKAOQMIG-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(F)cc2)c(C)s1 ZINC000049684961 178026521 /nfs/dbraw/zinc/02/65/21/178026521.db2.gz ZSLVQZAIMYZSJT-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)cc2)c(C)s1 ZINC000049685008 386717664 /nfs/dbraw/zinc/71/76/64/386717664.db2.gz ZNZGMMWSNIOQKS-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccn2)c(C)s1 ZINC000049685099 178031085 /nfs/dbraw/zinc/03/10/85/178031085.db2.gz ASZABKRQUCBQCU-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccn2)c(C)s1 ZINC000049685101 178038483 /nfs/dbraw/zinc/03/84/83/178038483.db2.gz ASZABKRQUCBQCU-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2cccnc2)c(C)s1 ZINC000049685140 178031633 /nfs/dbraw/zinc/03/16/33/178031633.db2.gz AWVZFYGHHMYEBU-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2cccnc2)c(C)s1 ZINC000049685142 178038165 /nfs/dbraw/zinc/03/81/65/178038165.db2.gz AWVZFYGHHMYEBU-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+]C(C2CC2)C2CC2)c(C)s1 ZINC000049685177 323163780 /nfs/dbraw/zinc/16/37/80/323163780.db2.gz FFBVVRKPCWQXJV-UHFFFAOYSA-N 1 0 235.396 3.643 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccc(C)c2)c(C)s1 ZINC000049685189 179093675 /nfs/dbraw/zinc/09/36/75/179093675.db2.gz OKGIMTJRUPZEIY-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccs2)c(C)s1 ZINC000049685225 178026237 /nfs/dbraw/zinc/02/62/37/178026237.db2.gz AEGMEIRQNUNTRL-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccc(F)c2)c(C)s1 ZINC000049685478 178026323 /nfs/dbraw/zinc/02/63/23/178026323.db2.gz HCLVQZJQSJEORL-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cc(C[NH2+]CC2CCCC2)c(C)s1 ZINC000049685592 323163802 /nfs/dbraw/zinc/16/38/02/323163802.db2.gz SBRSWTFRYSHDJQ-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)c(C)s1 ZINC000049685599 323163837 /nfs/dbraw/zinc/16/38/37/323163837.db2.gz VAKYSYRHSMOPQN-JTQLQIEISA-N 1 0 225.401 3.889 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)c(C)s1 ZINC000049685601 323163749 /nfs/dbraw/zinc/16/37/49/323163749.db2.gz VAKYSYRHSMOPQN-SNVBAGLBSA-N 1 0 225.401 3.889 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)Cc2ccco2)c(C)s1 ZINC000049685990 178029247 /nfs/dbraw/zinc/02/92/47/178029247.db2.gz AXKXPWSNRKVQEY-JTQLQIEISA-N 1 0 249.379 3.679 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)Cc2ccco2)c(C)s1 ZINC000049685992 178036544 /nfs/dbraw/zinc/03/65/44/178036544.db2.gz AXKXPWSNRKVQEY-SNVBAGLBSA-N 1 0 249.379 3.679 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccccc2C)c(C)s1 ZINC000049686722 178026384 /nfs/dbraw/zinc/02/63/84/178026384.db2.gz CIJAQPNBOXIFDL-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C)c(C)s1 ZINC000049686999 178018227 /nfs/dbraw/zinc/01/82/27/178018227.db2.gz PJWFKIVUHWPREY-UHFFFAOYSA-N 1 0 211.374 3.501 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CCCC2)c(C)s1 ZINC000049687070 323163817 /nfs/dbraw/zinc/16/38/17/323163817.db2.gz CDZNIDKJNYOMGU-UHFFFAOYSA-N 1 0 223.385 3.787 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049687086 323163795 /nfs/dbraw/zinc/16/37/95/323163795.db2.gz NYUKIFRWGHFICL-MWLCHTKSSA-N 1 0 225.401 3.889 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049687088 323163867 /nfs/dbraw/zinc/16/38/67/323163867.db2.gz NYUKIFRWGHFICL-GXSJLCMTSA-N 1 0 225.401 3.889 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049687090 323163853 /nfs/dbraw/zinc/16/38/53/323163853.db2.gz NYUKIFRWGHFICL-KOLCDFICSA-N 1 0 225.401 3.889 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049687092 323163788 /nfs/dbraw/zinc/16/37/88/323163788.db2.gz NYUKIFRWGHFICL-ONGXEEELSA-N 1 0 225.401 3.889 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)sc1C)C(C)C ZINC000049687099 488314594 /nfs/dbraw/zinc/31/45/94/488314594.db2.gz HDJBZRIYTULPNC-ZDUSSCGKSA-N 1 0 225.401 3.889 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)sc1C)C(C)C ZINC000049687100 488314624 /nfs/dbraw/zinc/31/46/24/488314624.db2.gz HDJBZRIYTULPNC-CYBMUJFWSA-N 1 0 225.401 3.889 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(N)c1 ZINC000049717064 176033205 /nfs/dbraw/zinc/03/32/05/176033205.db2.gz WGOKMEPLBYTNAO-NSHDSACASA-N 1 0 246.379 3.523 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(N)c1 ZINC000049717065 177048463 /nfs/dbraw/zinc/04/84/63/177048463.db2.gz WGOKMEPLBYTNAO-LLVKDONJSA-N 1 0 246.379 3.523 20 0 BHADRO CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000049729882 344685300 /nfs/dbraw/zinc/68/53/00/344685300.db2.gz WGEYOLQTEMSZQF-ZDUSSCGKSA-N 1 0 223.747 3.791 20 0 BHADRO CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000049729884 344685306 /nfs/dbraw/zinc/68/53/06/344685306.db2.gz WGEYOLQTEMSZQF-CYBMUJFWSA-N 1 0 223.747 3.791 20 0 BHADRO CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000049730145 323163550 /nfs/dbraw/zinc/16/35/50/323163550.db2.gz JIPWFIZNJGXUCF-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000049730147 323163488 /nfs/dbraw/zinc/16/34/88/323163488.db2.gz JIPWFIZNJGXUCF-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc(Cl)c1 ZINC000049773009 384679520 /nfs/dbraw/zinc/67/95/20/384679520.db2.gz BKFRKQSBCCQDIM-UHFFFAOYSA-N 1 0 225.763 3.866 20 0 BHADRO CCC(CC)[NH2+]CCSc1ccc(C)cc1 ZINC000049773223 384565284 /nfs/dbraw/zinc/56/52/84/384565284.db2.gz RJWLTUZYZLVQIP-UHFFFAOYSA-N 1 0 237.412 3.865 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000049773734 643391310 /nfs/dbraw/zinc/39/13/10/643391310.db2.gz IYBIZAAINNXUOH-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000049773735 643391936 /nfs/dbraw/zinc/39/19/36/643391936.db2.gz IYBIZAAINNXUOH-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000049773737 643390872 /nfs/dbraw/zinc/39/08/72/643390872.db2.gz IYBIZAAINNXUOH-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000049773739 643391254 /nfs/dbraw/zinc/39/12/54/643391254.db2.gz IYBIZAAINNXUOH-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]CCSc1ccc(C)cc1 ZINC000049773923 322847401 /nfs/dbraw/zinc/84/74/01/322847401.db2.gz SXVHFIFQYXHILJ-CYBMUJFWSA-N 1 0 237.412 3.865 20 0 BHADRO CCC[C@H](C)[NH2+]CCSc1ccc(C)cc1 ZINC000049773924 322847521 /nfs/dbraw/zinc/84/75/21/322847521.db2.gz SXVHFIFQYXHILJ-ZDUSSCGKSA-N 1 0 237.412 3.865 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000049800067 643443941 /nfs/dbraw/zinc/44/39/41/643443941.db2.gz NTNUCNKDPGUNJP-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000049800068 643443555 /nfs/dbraw/zinc/44/35/55/643443555.db2.gz NTNUCNKDPGUNJP-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000049800069 643444351 /nfs/dbraw/zinc/44/43/51/643444351.db2.gz NTNUCNKDPGUNJP-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1C ZINC000049800070 643444248 /nfs/dbraw/zinc/44/42/48/643444248.db2.gz NTNUCNKDPGUNJP-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CC1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049801052 384690692 /nfs/dbraw/zinc/69/06/92/384690692.db2.gz DEJIZGMHBZLCRY-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1ccccc1OCC[NH2+]C1CCC(C)CC1 ZINC000049801054 343120840 /nfs/dbraw/zinc/12/08/40/343120840.db2.gz UBPYZXUFSBKCDP-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H](C)C(C)C)cc1 ZINC000049801818 384689816 /nfs/dbraw/zinc/68/98/16/384689816.db2.gz HUSFORHOUAKGRH-ZDUSSCGKSA-N 1 0 237.412 3.721 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H](C)C(C)C)cc1 ZINC000049801819 384689935 /nfs/dbraw/zinc/68/99/35/384689935.db2.gz HUSFORHOUAKGRH-CYBMUJFWSA-N 1 0 237.412 3.721 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000049825201 384689430 /nfs/dbraw/zinc/68/94/30/384689430.db2.gz IWYIIBUMLNAMEW-CABCVRRESA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000049825202 322848647 /nfs/dbraw/zinc/84/86/47/322848647.db2.gz IWYIIBUMLNAMEW-GJZGRUSLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000049825203 384690435 /nfs/dbraw/zinc/69/04/35/384690435.db2.gz IWYIIBUMLNAMEW-HUUCEWRRSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000049825204 384689504 /nfs/dbraw/zinc/68/95/04/384689504.db2.gz IWYIIBUMLNAMEW-LSDHHAIUSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1nc(C[NH2+]C2CCCCCC2)sc1C ZINC000049829412 387787698 /nfs/dbraw/zinc/78/76/98/387787698.db2.gz HXUMVNZRDQPZNC-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)c2ccccc2)sc1C ZINC000049834671 384571194 /nfs/dbraw/zinc/57/11/94/384571194.db2.gz QDGONMRDAHUPEE-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)c2ccccc2)sc1C ZINC000049834673 384572523 /nfs/dbraw/zinc/57/25/23/384572523.db2.gz QDGONMRDAHUPEE-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000049844697 322847732 /nfs/dbraw/zinc/84/77/32/322847732.db2.gz FCVMVDHLWIECDE-CQSZACIVSA-N 1 0 221.344 3.819 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000049855496 384685503 /nfs/dbraw/zinc/68/55/03/384685503.db2.gz HSCOUJAVAWLTFJ-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000049855498 384687174 /nfs/dbraw/zinc/68/71/74/384687174.db2.gz HSCOUJAVAWLTFJ-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000049855500 178494082 /nfs/dbraw/zinc/49/40/82/178494082.db2.gz HSCOUJAVAWLTFJ-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000049855502 384686627 /nfs/dbraw/zinc/68/66/27/384686627.db2.gz HSCOUJAVAWLTFJ-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(C)cc1 ZINC000049855583 384574046 /nfs/dbraw/zinc/57/40/46/384574046.db2.gz XFYFCTZXTRANJB-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(C)cc1 ZINC000049855585 384686190 /nfs/dbraw/zinc/68/61/90/384686190.db2.gz XFYFCTZXTRANJB-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(C)cc1 ZINC000049855586 384686462 /nfs/dbraw/zinc/68/64/62/384686462.db2.gz XFYFCTZXTRANJB-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(C)cc1 ZINC000049855588 170899940 /nfs/dbraw/zinc/89/99/40/170899940.db2.gz XFYFCTZXTRANJB-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CCCCC[NH2+]CCSCc1ccccc1 ZINC000049900065 384687956 /nfs/dbraw/zinc/68/79/56/384687956.db2.gz SAPOOIOIAVAYSV-UHFFFAOYSA-N 1 0 237.412 3.700 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000049900465 169510462 /nfs/dbraw/zinc/51/04/62/169510462.db2.gz QGPGEJLBAKZZAF-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000049900466 384685518 /nfs/dbraw/zinc/68/55/18/384685518.db2.gz QGPGEJLBAKZZAF-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000049900467 384687843 /nfs/dbraw/zinc/68/78/43/384687843.db2.gz QGPGEJLBAKZZAF-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000049900468 384686437 /nfs/dbraw/zinc/68/64/37/384686437.db2.gz QGPGEJLBAKZZAF-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000049900700 384687980 /nfs/dbraw/zinc/68/79/80/384687980.db2.gz FHUWTEUTDFRWFX-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000049900701 384687001 /nfs/dbraw/zinc/68/70/01/384687001.db2.gz FHUWTEUTDFRWFX-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000049900702 384685434 /nfs/dbraw/zinc/68/54/34/384685434.db2.gz FHUWTEUTDFRWFX-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000049900703 384687540 /nfs/dbraw/zinc/68/75/40/384687540.db2.gz FHUWTEUTDFRWFX-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)o1 ZINC000049918450 134640817 /nfs/dbraw/zinc/64/08/17/134640817.db2.gz BRRAADDTZCJNFT-QWRGUYRKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)o1 ZINC000049918451 134640798 /nfs/dbraw/zinc/64/07/98/134640798.db2.gz BRRAADDTZCJNFT-GHMZBOCLSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)s1 ZINC000049918453 322847859 /nfs/dbraw/zinc/84/78/59/322847859.db2.gz TYRKUTBWLBIIDR-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)s1 ZINC000049918454 384685555 /nfs/dbraw/zinc/68/55/55/384685555.db2.gz TYRKUTBWLBIIDR-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO c1sc2ccccc2c1C[NH2+]CC1CCC1 ZINC000049918468 358706982 /nfs/dbraw/zinc/70/69/82/358706982.db2.gz RLZSEGOEISYWME-UHFFFAOYSA-N 1 0 231.364 3.791 20 0 BHADRO c1sc2ccccc2c1C[NH2+]C1CCCC1 ZINC000049943197 384686182 /nfs/dbraw/zinc/68/61/82/384686182.db2.gz WZPBBXNLHUYPLA-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO c1coc(C[NH2+]Cc2csc3ccccc23)c1 ZINC000049943210 387789978 /nfs/dbraw/zinc/78/99/78/387789978.db2.gz FOWIWYSJHJQZBU-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000049943213 384580043 /nfs/dbraw/zinc/58/00/43/384580043.db2.gz FBAJXLIXDBRAOV-SNVBAGLBSA-N 1 0 219.353 3.789 20 0 BHADRO CC[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000049943214 171344554 /nfs/dbraw/zinc/34/45/54/171344554.db2.gz FBAJXLIXDBRAOV-JTQLQIEISA-N 1 0 219.353 3.789 20 0 BHADRO C[C@H]([NH2+]Cc1csc2ccccc12)C1CC1 ZINC000049943313 384686384 /nfs/dbraw/zinc/68/63/84/384686384.db2.gz OUNYFECJSUKWNQ-JTQLQIEISA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]Cc1csc2ccccc12)C1CC1 ZINC000049943314 384687697 /nfs/dbraw/zinc/68/76/97/384687697.db2.gz OUNYFECJSUKWNQ-SNVBAGLBSA-N 1 0 231.364 3.789 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1F ZINC000049943365 178026916 /nfs/dbraw/zinc/02/69/16/178026916.db2.gz BFBCFBPYIDQZDZ-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccccc2F)ccc1F ZINC000049943376 178027056 /nfs/dbraw/zinc/02/70/56/178027056.db2.gz IJPVVRWLIJZMGL-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccc(F)c2)ccc1F ZINC000049943377 178027643 /nfs/dbraw/zinc/02/76/43/178027643.db2.gz UXRRLSGJQQLFDK-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000049943379 178026600 /nfs/dbraw/zinc/02/66/00/178026600.db2.gz BUCVDUSIMRFHFQ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1 ZINC000049943380 643561582 /nfs/dbraw/zinc/56/15/82/643561582.db2.gz URSVAHHOBJFMLU-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000049943381 179094695 /nfs/dbraw/zinc/09/46/95/179094695.db2.gz IDOJIVLIASTRGJ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC=CCC2)ccc1F ZINC000049943393 178024600 /nfs/dbraw/zinc/02/46/00/178024600.db2.gz SVYSKGXQZJSHTF-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC=CCC2)ccc1F ZINC000049943394 178022139 /nfs/dbraw/zinc/02/21/39/178022139.db2.gz SVYSKGXQZJSHTF-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)s1 ZINC000049943400 643562349 /nfs/dbraw/zinc/56/23/49/643562349.db2.gz QSUVFXIVOHKSBK-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cc(C[NH2+]CC2CCCCC2)ccc1F ZINC000049943402 178020342 /nfs/dbraw/zinc/02/03/42/178020342.db2.gz RBXMMGRZQVZNJD-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1cc(C[NH2+]C2CCC(C)CC2)ccc1F ZINC000049943406 488354127 /nfs/dbraw/zinc/35/41/27/488354127.db2.gz YOYBNJCARQBTSB-UHFFFAOYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCC2)ccc1F ZINC000049943407 178018583 /nfs/dbraw/zinc/01/85/83/178018583.db2.gz IMGGYYOIVWRBOU-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCC2)ccc1F ZINC000049943410 178018765 /nfs/dbraw/zinc/01/87/65/178018765.db2.gz AFMCVIKYRCWIDP-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1F ZINC000049943417 178033989 /nfs/dbraw/zinc/03/39/89/178033989.db2.gz GZARPVKNKMVHHD-XHDPSFHLSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1F ZINC000049943418 178039442 /nfs/dbraw/zinc/03/94/42/178039442.db2.gz GZARPVKNKMVHHD-NHYWBVRUSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1F ZINC000049943419 178033763 /nfs/dbraw/zinc/03/37/63/178033763.db2.gz GZARPVKNKMVHHD-IAQYHMDHSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1F ZINC000049943420 178039391 /nfs/dbraw/zinc/03/93/91/178039391.db2.gz GZARPVKNKMVHHD-ABAIWWIYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1F ZINC000049943421 384687943 /nfs/dbraw/zinc/68/79/43/384687943.db2.gz GLCQODSQLWKOGI-SMDDNHRTSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1F ZINC000049943422 384685445 /nfs/dbraw/zinc/68/54/45/384685445.db2.gz GLCQODSQLWKOGI-FZMZJTMJSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000049943423 384686988 /nfs/dbraw/zinc/68/69/88/384686988.db2.gz GLCQODSQLWKOGI-BXUZGUMPSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1F ZINC000049943424 384685626 /nfs/dbraw/zinc/68/56/26/384685626.db2.gz GLCQODSQLWKOGI-RISCZKNCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)s1 ZINC000049948360 343019300 /nfs/dbraw/zinc/01/93/00/343019300.db2.gz LIDLFRJJFCFGLE-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO C(COC1CCCCC1)[NH2+]C1CCCCCC1 ZINC000049948559 343019296 /nfs/dbraw/zinc/01/92/96/343019296.db2.gz SDTZQAPZCOLPCV-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000049948844 643563252 /nfs/dbraw/zinc/56/32/52/643563252.db2.gz FVSFNGAABIASLO-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000049948845 643564501 /nfs/dbraw/zinc/56/45/01/643564501.db2.gz FVSFNGAABIASLO-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000049948846 168605819 /nfs/dbraw/zinc/60/58/19/168605819.db2.gz FVSFNGAABIASLO-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000049948847 643563773 /nfs/dbraw/zinc/56/37/73/643563773.db2.gz FVSFNGAABIASLO-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)C1(C)CC1 ZINC000049949202 344704225 /nfs/dbraw/zinc/70/42/25/344704225.db2.gz JWZLZGLFSSRMMA-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C1(C)CC1 ZINC000049949203 344703885 /nfs/dbraw/zinc/70/38/85/344703885.db2.gz JWZLZGLFSSRMMA-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO CC[NH2+][C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000049955883 134642276 /nfs/dbraw/zinc/64/22/76/134642276.db2.gz QNFJHINHROEQJZ-INIZCTEOSA-N 1 0 243.350 3.909 20 0 BHADRO CC[NH2+][C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000049955884 535516211 /nfs/dbraw/zinc/51/62/11/535516211.db2.gz QNFJHINHROEQJZ-MRXNPFEDSA-N 1 0 243.350 3.909 20 0 BHADRO c1csc([C@H]([NH2+]Cc2ccccc2)C2CC2)c1 ZINC000049956752 384687296 /nfs/dbraw/zinc/68/72/96/384687296.db2.gz LNTFUABGRQNMLK-OAHLLOKOSA-N 1 0 243.375 3.989 20 0 BHADRO c1csc([C@@H]([NH2+]Cc2ccccc2)C2CC2)c1 ZINC000049956753 384688053 /nfs/dbraw/zinc/68/80/53/384688053.db2.gz LNTFUABGRQNMLK-HNNXBMFYSA-N 1 0 243.375 3.989 20 0 BHADRO c1coc(C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000049956812 384685325 /nfs/dbraw/zinc/68/53/25/384685325.db2.gz QRUFJUPXTHEFOB-CYBMUJFWSA-N 1 0 233.336 3.582 20 0 BHADRO c1coc(C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000049956813 384687084 /nfs/dbraw/zinc/68/70/84/384687084.db2.gz QRUFJUPXTHEFOB-ZDUSSCGKSA-N 1 0 233.336 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)o1 ZINC000049956818 358707933 /nfs/dbraw/zinc/70/79/33/358707933.db2.gz URKIDYUBTYTQTI-CQSZACIVSA-N 1 0 247.363 3.890 20 0 BHADRO Cc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)o1 ZINC000049956819 358707897 /nfs/dbraw/zinc/70/78/97/358707897.db2.gz URKIDYUBTYTQTI-AWEZNQCLSA-N 1 0 247.363 3.890 20 0 BHADRO c1csc([C@H]([NH2+]C2CCCC2)C2CC2)c1 ZINC000049956842 384687949 /nfs/dbraw/zinc/68/79/49/384687949.db2.gz HQRSDUMBQBINEF-CYBMUJFWSA-N 1 0 221.369 3.731 20 0 BHADRO c1csc([C@@H]([NH2+]C2CCCC2)C2CC2)c1 ZINC000049956843 384686154 /nfs/dbraw/zinc/68/61/54/384686154.db2.gz HQRSDUMBQBINEF-ZDUSSCGKSA-N 1 0 221.369 3.731 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000049956870 384686792 /nfs/dbraw/zinc/68/67/92/384686792.db2.gz ZHZNVXIMIMIQSE-CYBMUJFWSA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000049956871 384686744 /nfs/dbraw/zinc/68/67/44/384686744.db2.gz ZHZNVXIMIMIQSE-ZDUSSCGKSA-N 1 0 223.385 3.835 20 0 BHADRO CCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000049956872 322848093 /nfs/dbraw/zinc/84/80/93/322848093.db2.gz GPNSHAQVBPMXQQ-GFCCVEGCSA-N 1 0 209.358 3.589 20 0 BHADRO CCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000049956873 384687166 /nfs/dbraw/zinc/68/71/66/384687166.db2.gz GPNSHAQVBPMXQQ-LBPRGKRZSA-N 1 0 209.358 3.589 20 0 BHADRO COc1ccc(C[N@H+](CC=C(C)C)C2CC2)cc1 ZINC000049975109 323165722 /nfs/dbraw/zinc/16/57/22/323165722.db2.gz WVALAZLEPHCDDQ-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO Clc1cc(C[NH+]2CCCCCCC2)ccn1 ZINC000050165913 643627538 /nfs/dbraw/zinc/62/75/38/643627538.db2.gz DXAHEBZBJCSHSY-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000050198371 387791640 /nfs/dbraw/zinc/79/16/40/387791640.db2.gz VONJXUVYZVNHSR-AWEZNQCLSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000050198373 358718485 /nfs/dbraw/zinc/71/84/85/358718485.db2.gz VONJXUVYZVNHSR-CQSZACIVSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000050198386 384606613 /nfs/dbraw/zinc/60/66/13/384606613.db2.gz GSEBUCNNRBPDGG-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000050198388 343611154 /nfs/dbraw/zinc/61/11/54/343611154.db2.gz GSEBUCNNRBPDGG-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000050198393 384606035 /nfs/dbraw/zinc/60/60/35/384606035.db2.gz CXUWOKKACCDVBC-AWEZNQCLSA-N 1 0 231.364 3.989 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000050198396 343611083 /nfs/dbraw/zinc/61/10/83/343611083.db2.gz CXUWOKKACCDVBC-CQSZACIVSA-N 1 0 231.364 3.989 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000050198549 383966225 /nfs/dbraw/zinc/96/62/25/383966225.db2.gz YRTTWYCZIHVEEA-WCQYABFASA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000050198551 383967727 /nfs/dbraw/zinc/96/77/27/383967727.db2.gz YRTTWYCZIHVEEA-AAEUAGOBSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000050198553 383968048 /nfs/dbraw/zinc/96/80/48/383968048.db2.gz YRTTWYCZIHVEEA-DGCLKSJQSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000050198555 383967232 /nfs/dbraw/zinc/96/72/32/383967232.db2.gz YRTTWYCZIHVEEA-YPMHNXCESA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)o1 ZINC000050198686 643636974 /nfs/dbraw/zinc/63/69/74/643636974.db2.gz NMFNUTJYQRVBJD-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccc(F)cc1 ZINC000050198700 344655961 /nfs/dbraw/zinc/65/59/61/344655961.db2.gz AYXIXSYTSXPZNA-HNNXBMFYSA-N 1 0 247.313 3.968 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccc(F)cc1 ZINC000050198702 344655706 /nfs/dbraw/zinc/65/57/06/344655706.db2.gz AYXIXSYTSXPZNA-OAHLLOKOSA-N 1 0 247.313 3.968 20 0 BHADRO CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000050210062 384609606 /nfs/dbraw/zinc/60/96/06/384609606.db2.gz VRBLRKYDTLDKRS-ZETCQYMHSA-N 1 0 249.688 3.612 20 0 BHADRO CC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000050210063 323167028 /nfs/dbraw/zinc/16/70/28/323167028.db2.gz VRBLRKYDTLDKRS-SSDOTTSWSA-N 1 0 249.688 3.612 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000050210420 322848455 /nfs/dbraw/zinc/84/84/55/322848455.db2.gz DMIWDHLSSKWCHF-JTQLQIEISA-N 1 0 241.762 3.799 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000050210421 384690163 /nfs/dbraw/zinc/69/01/63/384690163.db2.gz DMIWDHLSSKWCHF-SNVBAGLBSA-N 1 0 241.762 3.799 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000050225303 322848543 /nfs/dbraw/zinc/84/85/43/322848543.db2.gz MUXFYXQOANWCLA-SNVBAGLBSA-N 1 0 211.374 3.725 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000050225304 322848540 /nfs/dbraw/zinc/84/85/40/322848540.db2.gz MUXFYXQOANWCLA-JTQLQIEISA-N 1 0 211.374 3.725 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C1CCCCCC1 ZINC000050266765 343145007 /nfs/dbraw/zinc/14/50/07/343145007.db2.gz AICQMFKNYNQLTQ-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO c1csc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000050266767 358722435 /nfs/dbraw/zinc/72/24/35/358722435.db2.gz ALEDMGMKYRUTCP-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000050268202 171829673 /nfs/dbraw/zinc/82/96/73/171829673.db2.gz YRSGVEDMWDSRSL-CJNGLKHVSA-N 1 0 245.366 3.592 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000050268203 636578860 /nfs/dbraw/zinc/57/88/60/636578860.db2.gz YRSGVEDMWDSRSL-BBRMVZONSA-N 1 0 245.366 3.592 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000050268204 171831669 /nfs/dbraw/zinc/83/16/69/171831669.db2.gz YRSGVEDMWDSRSL-CZUORRHYSA-N 1 0 245.366 3.592 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000050268205 643671587 /nfs/dbraw/zinc/67/15/87/643671587.db2.gz YRSGVEDMWDSRSL-XJKSGUPXSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050268234 643671314 /nfs/dbraw/zinc/67/13/14/643671314.db2.gz PVESCIRQEUIWQH-HOTGVXAUSA-N 1 0 245.366 3.666 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050268235 643670691 /nfs/dbraw/zinc/67/06/91/643670691.db2.gz PVESCIRQEUIWQH-JKSUJKDBSA-N 1 0 245.366 3.666 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050268236 643671018 /nfs/dbraw/zinc/67/10/18/643671018.db2.gz PVESCIRQEUIWQH-CVEARBPZSA-N 1 0 245.366 3.666 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050268237 643671611 /nfs/dbraw/zinc/67/16/11/643671611.db2.gz PVESCIRQEUIWQH-HZPDHXFCSA-N 1 0 245.366 3.666 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(C)cc1 ZINC000050268504 643671617 /nfs/dbraw/zinc/67/16/17/643671617.db2.gz SRCLXLLSJRNNLA-HOTGVXAUSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(C)cc1 ZINC000050268505 643671051 /nfs/dbraw/zinc/67/10/51/643671051.db2.gz SRCLXLLSJRNNLA-JKSUJKDBSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C)cc1 ZINC000050268506 171528709 /nfs/dbraw/zinc/52/87/09/171528709.db2.gz SRCLXLLSJRNNLA-CVEARBPZSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C)cc1 ZINC000050268507 170900469 /nfs/dbraw/zinc/90/04/69/170900469.db2.gz SRCLXLLSJRNNLA-HZPDHXFCSA-N 1 0 245.366 3.728 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050268576 643670574 /nfs/dbraw/zinc/67/05/74/643670574.db2.gz UFUUWSJOFZZPDL-HOTGVXAUSA-N 1 0 245.366 3.810 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050268577 643671366 /nfs/dbraw/zinc/67/13/66/643671366.db2.gz UFUUWSJOFZZPDL-JKSUJKDBSA-N 1 0 245.366 3.810 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050268578 643671045 /nfs/dbraw/zinc/67/10/45/643671045.db2.gz UFUUWSJOFZZPDL-CVEARBPZSA-N 1 0 245.366 3.810 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050268579 643671624 /nfs/dbraw/zinc/67/16/24/643671624.db2.gz UFUUWSJOFZZPDL-HZPDHXFCSA-N 1 0 245.366 3.810 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000050268788 643670756 /nfs/dbraw/zinc/67/07/56/643670756.db2.gz YMRWYRIFITUHEP-CABCVRRESA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000050268789 643671264 /nfs/dbraw/zinc/67/12/64/643671264.db2.gz YMRWYRIFITUHEP-GJZGRUSLSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000050268790 643671309 /nfs/dbraw/zinc/67/13/09/643671309.db2.gz YMRWYRIFITUHEP-HUUCEWRRSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000050268791 643670698 /nfs/dbraw/zinc/67/06/98/643670698.db2.gz YMRWYRIFITUHEP-LSDHHAIUSA-N 1 0 245.366 3.647 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050268996 643673334 /nfs/dbraw/zinc/67/33/34/643673334.db2.gz XIBGGSWGNPECOL-KGLIPLIRSA-N 1 0 225.376 3.628 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050268997 643672983 /nfs/dbraw/zinc/67/29/83/643672983.db2.gz XIBGGSWGNPECOL-KBPBESRZSA-N 1 0 225.376 3.628 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000050268998 643673287 /nfs/dbraw/zinc/67/32/87/643673287.db2.gz XIBGGSWGNPECOL-ZIAGYGMSSA-N 1 0 225.376 3.628 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000050268999 643672149 /nfs/dbraw/zinc/67/21/49/643672149.db2.gz XIBGGSWGNPECOL-UONOGXRCSA-N 1 0 225.376 3.628 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c(C)c1 ZINC000050269222 643672880 /nfs/dbraw/zinc/67/28/80/643672880.db2.gz MKTGHMCSKXPOHG-CABCVRRESA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c(C)c1 ZINC000050269223 643673412 /nfs/dbraw/zinc/67/34/12/643673412.db2.gz MKTGHMCSKXPOHG-GJZGRUSLSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c(C)c1 ZINC000050269224 643673626 /nfs/dbraw/zinc/67/36/26/643673626.db2.gz MKTGHMCSKXPOHG-HUUCEWRRSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)c(C)c1 ZINC000050269225 643672858 /nfs/dbraw/zinc/67/28/58/643672858.db2.gz MKTGHMCSKXPOHG-LSDHHAIUSA-N 1 0 245.366 3.647 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050269601 643672962 /nfs/dbraw/zinc/67/29/62/643672962.db2.gz XXJNWQGJVIPRIK-NRXISQOPSA-N 1 0 237.387 3.628 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050269602 643672531 /nfs/dbraw/zinc/67/25/31/643672531.db2.gz XXJNWQGJVIPRIK-YMAMQOFZSA-N 1 0 237.387 3.628 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000050269687 643673645 /nfs/dbraw/zinc/67/36/45/643673645.db2.gz BMTUMKNACWJARD-INIZCTEOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000050269688 643672418 /nfs/dbraw/zinc/67/24/18/643672418.db2.gz BMTUMKNACWJARD-MRXNPFEDSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000050275352 357437014 /nfs/dbraw/zinc/43/70/14/357437014.db2.gz XGVPJRBSDSDNOA-ZDUSSCGKSA-N 1 0 203.329 3.646 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000050275353 357437691 /nfs/dbraw/zinc/43/76/91/357437691.db2.gz XGVPJRBSDSDNOA-CYBMUJFWSA-N 1 0 203.329 3.646 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1scnc1C ZINC000050284962 643675359 /nfs/dbraw/zinc/67/53/59/643675359.db2.gz RIGFSQFXZGRBEB-LLVKDONJSA-N 1 0 240.416 3.552 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1scnc1C ZINC000050284963 643674362 /nfs/dbraw/zinc/67/43/62/643674362.db2.gz RIGFSQFXZGRBEB-NSHDSACASA-N 1 0 240.416 3.552 20 0 BHADRO CCc1nc(C[NH2+]C2(C)CCCCC2)cs1 ZINC000050285670 358722577 /nfs/dbraw/zinc/72/25/77/358722577.db2.gz XYGJRFOKJJTXBM-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccsc1 ZINC000050337373 176829532 /nfs/dbraw/zinc/82/95/32/176829532.db2.gz WMBOLLWXROTQKE-JTQLQIEISA-N 1 0 209.358 3.731 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccsc1 ZINC000050337376 384005234 /nfs/dbraw/zinc/00/52/34/384005234.db2.gz WMBOLLWXROTQKE-SNVBAGLBSA-N 1 0 209.358 3.731 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccsc1 ZINC000050337443 387794142 /nfs/dbraw/zinc/79/41/42/387794142.db2.gz DRKUYURGGMGZRX-NSHDSACASA-N 1 0 217.337 3.599 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccsc1 ZINC000050337446 384004515 /nfs/dbraw/zinc/00/45/15/384004515.db2.gz DRKUYURGGMGZRX-LLVKDONJSA-N 1 0 217.337 3.599 20 0 BHADRO COc1ccccc1C[NH2+][C@@H](C)c1ccsc1 ZINC000050337531 487940217 /nfs/dbraw/zinc/94/02/17/487940217.db2.gz UHYZTSRCQWXDQF-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccccc1C[NH2+][C@H](C)c1ccsc1 ZINC000050337535 487939898 /nfs/dbraw/zinc/93/98/98/487939898.db2.gz UHYZTSRCQWXDQF-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccsc1 ZINC000050337581 176853681 /nfs/dbraw/zinc/85/36/81/176853681.db2.gz BFTHOVLJCOAJSQ-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccsc1 ZINC000050337584 175884062 /nfs/dbraw/zinc/88/40/62/175884062.db2.gz BFTHOVLJCOAJSQ-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000050337806 384618950 /nfs/dbraw/zinc/61/89/50/384618950.db2.gz NQJSEVYLGNSQGI-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1 ZINC000050337809 175111703 /nfs/dbraw/zinc/11/17/03/175111703.db2.gz NQJSEVYLGNSQGI-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1F)c1ccsc1 ZINC000050337873 384699683 /nfs/dbraw/zinc/69/96/83/384699683.db2.gz WSRMLYGROKATLP-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1F)c1ccsc1 ZINC000050337875 384699991 /nfs/dbraw/zinc/69/99/91/384699991.db2.gz WSRMLYGROKATLP-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)CC1)c1ccsc1 ZINC000050337998 344782946 /nfs/dbraw/zinc/78/29/46/344782946.db2.gz UGEPWKKTXLEDGB-AKJDGMEZSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccsc1 ZINC000050338000 344782864 /nfs/dbraw/zinc/78/28/64/344782864.db2.gz UGEPWKKTXLEDGB-QWKFWESOSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)c1ccsc1 ZINC000050338020 387794713 /nfs/dbraw/zinc/79/47/13/387794713.db2.gz XHXOMALNWBHHLN-LBPRGKRZSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)c1ccsc1 ZINC000050338022 387793757 /nfs/dbraw/zinc/79/37/57/387793757.db2.gz XHXOMALNWBHHLN-GFCCVEGCSA-N 1 0 231.364 3.641 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccsc1 ZINC000050338125 384618186 /nfs/dbraw/zinc/61/81/86/384618186.db2.gz AAURXQYTHHYZCC-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccsc1 ZINC000050338128 387794274 /nfs/dbraw/zinc/79/42/74/387794274.db2.gz AAURXQYTHHYZCC-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccsc1 ZINC000050338141 397971066 /nfs/dbraw/zinc/97/10/66/397971066.db2.gz OUUSNYAMHUFKQL-MDZLAQPJSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccsc1 ZINC000050338144 397971020 /nfs/dbraw/zinc/97/10/20/397971020.db2.gz OUUSNYAMHUFKQL-GVXVVHGQSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccsc1 ZINC000050338147 322850950 /nfs/dbraw/zinc/85/09/50/322850950.db2.gz OUUSNYAMHUFKQL-NTZNESFSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccsc1 ZINC000050338149 322850736 /nfs/dbraw/zinc/85/07/36/322850736.db2.gz OUUSNYAMHUFKQL-GMXVVIOVSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)c1ccsc1 ZINC000050338177 176854404 /nfs/dbraw/zinc/85/44/04/176854404.db2.gz ONMJBGUGHSWYRL-JTQLQIEISA-N 1 0 237.393 3.703 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)c1ccsc1 ZINC000050338180 384193909 /nfs/dbraw/zinc/19/39/09/384193909.db2.gz ONMJBGUGHSWYRL-SNVBAGLBSA-N 1 0 237.393 3.703 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)c1ccsc1 ZINC000050338185 358724400 /nfs/dbraw/zinc/72/44/00/358724400.db2.gz VOLGHCRCAWZZIK-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1F)c1ccsc1 ZINC000050338187 358725026 /nfs/dbraw/zinc/72/50/26/358725026.db2.gz VOLGHCRCAWZZIK-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000050338283 384617369 /nfs/dbraw/zinc/61/73/69/384617369.db2.gz DQQNBCCZEIPCHI-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1 ZINC000050338286 384617161 /nfs/dbraw/zinc/61/71/61/384617161.db2.gz DQQNBCCZEIPCHI-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccsc1 ZINC000050338567 487939848 /nfs/dbraw/zinc/93/98/48/487939848.db2.gz CCZUBCZOXQFNFE-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccncc1 ZINC000050338570 487940143 /nfs/dbraw/zinc/94/01/43/487940143.db2.gz CCZUBCZOXQFNFE-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccsc1 ZINC000050338573 487940112 /nfs/dbraw/zinc/94/01/12/487940112.db2.gz CCZUBCZOXQFNFE-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccsc1 ZINC000050338576 487939915 /nfs/dbraw/zinc/93/99/15/487939915.db2.gz CCZUBCZOXQFNFE-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccsc1 ZINC000050338670 384618339 /nfs/dbraw/zinc/61/83/39/384618339.db2.gz NDRKTCSFYNDNEB-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccsc1 ZINC000050338672 384617300 /nfs/dbraw/zinc/61/73/00/384617300.db2.gz NDRKTCSFYNDNEB-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccn1 ZINC000050338676 384617421 /nfs/dbraw/zinc/61/74/21/384617421.db2.gz NDRKTCSFYNDNEB-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccsc1 ZINC000050338678 384617575 /nfs/dbraw/zinc/61/75/75/384617575.db2.gz NDRKTCSFYNDNEB-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccsc1 ZINC000050338804 384617600 /nfs/dbraw/zinc/61/76/00/384617600.db2.gz BCBZFEZXLKUZML-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccnc1 ZINC000050338807 384619559 /nfs/dbraw/zinc/61/95/59/384619559.db2.gz BCBZFEZXLKUZML-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccsc1 ZINC000050338810 176916137 /nfs/dbraw/zinc/91/61/37/176916137.db2.gz BCBZFEZXLKUZML-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccsc1 ZINC000050338813 384617855 /nfs/dbraw/zinc/61/78/55/384617855.db2.gz BCBZFEZXLKUZML-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccsc1 ZINC000050338915 384193019 /nfs/dbraw/zinc/19/30/19/384193019.db2.gz PMGJVSAOJVIFTE-VIFPVBQESA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccsc1 ZINC000050338917 384193164 /nfs/dbraw/zinc/19/31/64/384193164.db2.gz PMGJVSAOJVIFTE-SECBINFHSA-N 1 0 221.369 3.587 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000050338968 179098308 /nfs/dbraw/zinc/09/83/08/179098308.db2.gz WBWBKGGMHDZXRC-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000050338971 179100646 /nfs/dbraw/zinc/10/06/46/179100646.db2.gz WBWBKGGMHDZXRC-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)c1ccsc1 ZINC000050339066 384194186 /nfs/dbraw/zinc/19/41/86/384194186.db2.gz OCLPIVVUVDZJAH-VIFPVBQESA-N 1 0 223.366 3.660 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)c1ccsc1 ZINC000050339068 384193143 /nfs/dbraw/zinc/19/31/43/384193143.db2.gz OCLPIVVUVDZJAH-SECBINFHSA-N 1 0 223.366 3.660 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000050339104 643686831 /nfs/dbraw/zinc/68/68/31/643686831.db2.gz WPUCTWWJWPEYFX-NSHDSACASA-N 1 0 211.374 3.979 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccsc1 ZINC000050339107 643687341 /nfs/dbraw/zinc/68/73/41/643687341.db2.gz WPUCTWWJWPEYFX-LLVKDONJSA-N 1 0 211.374 3.979 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccsc1 ZINC000050339838 358724580 /nfs/dbraw/zinc/72/45/80/358724580.db2.gz RFAIYTHNSCZINF-JTQLQIEISA-N 1 0 235.327 3.738 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccsc1 ZINC000050339840 358724630 /nfs/dbraw/zinc/72/46/30/358724630.db2.gz RFAIYTHNSCZINF-SNVBAGLBSA-N 1 0 235.327 3.738 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccsc1 ZINC000050340102 384699785 /nfs/dbraw/zinc/69/97/85/384699785.db2.gz ASGLNDRVHUKWMY-MDZLAQPJSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccsc1 ZINC000050340107 384699611 /nfs/dbraw/zinc/69/96/11/384699611.db2.gz ASGLNDRVHUKWMY-NTZNESFSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccsc1 ZINC000050340127 344782930 /nfs/dbraw/zinc/78/29/30/344782930.db2.gz ZLBKGRWGIVLQFE-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccsc1 ZINC000050340130 344782922 /nfs/dbraw/zinc/78/29/22/344782922.db2.gz ZLBKGRWGIVLQFE-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)c1ccsc1 ZINC000050340143 322850919 /nfs/dbraw/zinc/85/09/19/322850919.db2.gz HDQOOSMXQFQXAL-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)c1ccsc1 ZINC000050340146 322850747 /nfs/dbraw/zinc/85/07/47/322850747.db2.gz HDQOOSMXQFQXAL-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050340157 384700256 /nfs/dbraw/zinc/70/02/56/384700256.db2.gz NNOTWJNWJKAMCW-MNOVXSKESA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050340161 384699963 /nfs/dbraw/zinc/69/99/63/384699963.db2.gz NNOTWJNWJKAMCW-QWRGUYRKSA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050340164 322850852 /nfs/dbraw/zinc/85/08/52/322850852.db2.gz NNOTWJNWJKAMCW-GHMZBOCLSA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050340166 322850914 /nfs/dbraw/zinc/85/09/14/322850914.db2.gz NNOTWJNWJKAMCW-WDEREUQCSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccco1)c1ccsc1 ZINC000050340341 487940815 /nfs/dbraw/zinc/94/08/15/487940815.db2.gz WPZTXMNVARHCAT-UWVGGRQHSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccsc1 ZINC000050340344 487941268 /nfs/dbraw/zinc/94/12/68/487941268.db2.gz WPZTXMNVARHCAT-ZJUUUORDSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccco1 ZINC000050340347 487940834 /nfs/dbraw/zinc/94/08/34/487940834.db2.gz WPZTXMNVARHCAT-VHSXEESVSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccco1)c1ccsc1 ZINC000050340349 487941324 /nfs/dbraw/zinc/94/13/24/487941324.db2.gz WPZTXMNVARHCAT-NXEZZACHSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccsc1 ZINC000050340443 384699985 /nfs/dbraw/zinc/69/99/85/384699985.db2.gz IRHMTNLGOCZZMS-NSHDSACASA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccsc1 ZINC000050340446 384699526 /nfs/dbraw/zinc/69/95/26/384699526.db2.gz IRHMTNLGOCZZMS-LLVKDONJSA-N 1 0 249.354 3.781 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccsc1 ZINC000050341557 643686495 /nfs/dbraw/zinc/68/64/95/643686495.db2.gz OUALJFHYLRZXHV-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccsc1 ZINC000050341560 643686826 /nfs/dbraw/zinc/68/68/26/643686826.db2.gz OUALJFHYLRZXHV-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccsc1 ZINC000050341563 643687356 /nfs/dbraw/zinc/68/73/56/643687356.db2.gz OUALJFHYLRZXHV-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccsc1 ZINC000050341567 643686646 /nfs/dbraw/zinc/68/66/46/643686646.db2.gz OUALJFHYLRZXHV-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccsc1 ZINC000050343286 487944437 /nfs/dbraw/zinc/94/44/37/487944437.db2.gz ZJUTWGIQEIDUPW-QWRGUYRKSA-N 1 0 247.363 3.866 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccc(O)c1 ZINC000050343289 487944343 /nfs/dbraw/zinc/94/43/43/487944343.db2.gz ZJUTWGIQEIDUPW-MNOVXSKESA-N 1 0 247.363 3.866 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccsc1 ZINC000050343292 487944580 /nfs/dbraw/zinc/94/45/80/487944580.db2.gz ZJUTWGIQEIDUPW-WDEREUQCSA-N 1 0 247.363 3.866 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccsc1 ZINC000050343295 487944754 /nfs/dbraw/zinc/94/47/54/487944754.db2.gz ZJUTWGIQEIDUPW-GHMZBOCLSA-N 1 0 247.363 3.866 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccsc1 ZINC000050343514 487495949 /nfs/dbraw/zinc/49/59/49/487495949.db2.gz MKCBTHIOKXKHEV-FZMZJTMJSA-N 1 0 243.375 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccsc1 ZINC000050343516 487495702 /nfs/dbraw/zinc/49/57/02/487495702.db2.gz MKCBTHIOKXKHEV-RISCZKNCSA-N 1 0 243.375 3.739 20 0 BHADRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccsc1 ZINC000050343519 487495976 /nfs/dbraw/zinc/49/59/76/487495976.db2.gz MKCBTHIOKXKHEV-SMDDNHRTSA-N 1 0 243.375 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccsc1 ZINC000050343521 487495978 /nfs/dbraw/zinc/49/59/78/487495978.db2.gz MKCBTHIOKXKHEV-BXUZGUMPSA-N 1 0 243.375 3.739 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000050343592 175266982 /nfs/dbraw/zinc/26/69/82/175266982.db2.gz HNGPHRLQCVOUHT-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000050343594 175267494 /nfs/dbraw/zinc/26/74/94/175267494.db2.gz HNGPHRLQCVOUHT-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1ccsc1 ZINC000050343609 179282351 /nfs/dbraw/zinc/28/23/51/179282351.db2.gz DVGAMMWSTDDQPM-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1ccsc1 ZINC000050343612 179284920 /nfs/dbraw/zinc/28/49/20/179284920.db2.gz DVGAMMWSTDDQPM-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1ccsc1 ZINC000050343631 322850784 /nfs/dbraw/zinc/85/07/84/322850784.db2.gz OQIMOIBNPZTJDZ-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1ccsc1 ZINC000050343632 322850750 /nfs/dbraw/zinc/85/07/50/322850750.db2.gz OQIMOIBNPZTJDZ-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000050344302 384699578 /nfs/dbraw/zinc/69/95/78/384699578.db2.gz CIYGRDNMVOSGRX-NSHDSACASA-N 1 0 211.374 3.835 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000050344305 384699822 /nfs/dbraw/zinc/69/98/22/384699822.db2.gz CIYGRDNMVOSGRX-LLVKDONJSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050344578 384700472 /nfs/dbraw/zinc/70/04/72/384700472.db2.gz GXBFXONJUFKPET-AXFHLTTASA-N 1 0 211.374 3.833 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050344585 384700194 /nfs/dbraw/zinc/70/01/94/384700194.db2.gz GXBFXONJUFKPET-DCAQKATOSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)c1ccsc1 ZINC000050344626 176855379 /nfs/dbraw/zinc/85/53/79/176855379.db2.gz GCCVFSDRWPJVTC-JTQLQIEISA-N 1 0 237.393 3.703 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)c1ccsc1 ZINC000050344629 175885150 /nfs/dbraw/zinc/88/51/50/175885150.db2.gz GCCVFSDRWPJVTC-SNVBAGLBSA-N 1 0 237.393 3.703 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccsc1 ZINC000050344887 176906291 /nfs/dbraw/zinc/90/62/91/176906291.db2.gz VENPIJCZIYKLJF-NILFDRSVSA-N 1 0 243.375 3.955 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccsc1 ZINC000050344889 175918700 /nfs/dbraw/zinc/91/87/00/175918700.db2.gz VENPIJCZIYKLJF-KCPJHIHWSA-N 1 0 243.375 3.955 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccsc1 ZINC000050345010 344783316 /nfs/dbraw/zinc/78/33/16/344783316.db2.gz LZVQDERTCZDCPJ-RYUDHWBXSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccsc1 ZINC000050345013 344783382 /nfs/dbraw/zinc/78/33/82/344783382.db2.gz LZVQDERTCZDCPJ-NEPJUHHUSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccsc1 ZINC000050345016 344783387 /nfs/dbraw/zinc/78/33/87/344783387.db2.gz LZVQDERTCZDCPJ-NWDGAFQWSA-N 1 0 221.369 3.755 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccsc1 ZINC000050345019 344783346 /nfs/dbraw/zinc/78/33/46/344783346.db2.gz LZVQDERTCZDCPJ-VXGBXAGGSA-N 1 0 221.369 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccsc2)s1 ZINC000050345071 344783438 /nfs/dbraw/zinc/78/34/38/344783438.db2.gz VCAPSXOPTFVDGU-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccsc2)s1 ZINC000050345074 134658302 /nfs/dbraw/zinc/65/83/02/134658302.db2.gz VCAPSXOPTFVDGU-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO CC(C)(C)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000050345346 411258255 /nfs/dbraw/zinc/25/82/55/411258255.db2.gz JIEQOICIARKIHA-UHFFFAOYSA-N 1 0 246.398 3.527 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC000050368422 643690852 /nfs/dbraw/zinc/69/08/52/643690852.db2.gz PVIGKRJNAYQLRS-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC000050368426 643690584 /nfs/dbraw/zinc/69/05/84/643690584.db2.gz PVIGKRJNAYQLRS-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050368469 643690623 /nfs/dbraw/zinc/69/06/23/643690623.db2.gz BYRJVBAKBXQQHP-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC ZINC000050368472 643691429 /nfs/dbraw/zinc/69/14/29/643691429.db2.gz BYRJVBAKBXQQHP-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC)c1ccc(C)cc1 ZINC000050369855 643691439 /nfs/dbraw/zinc/69/14/39/643691439.db2.gz AYOCOAQTHPPGCJ-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1OC)c1ccc(C)cc1 ZINC000050369858 643691579 /nfs/dbraw/zinc/69/15/79/643691579.db2.gz AYOCOAQTHPPGCJ-JYJNAYRXSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@H]1CCC[C@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000050370222 643691029 /nfs/dbraw/zinc/69/10/29/643691029.db2.gz HBEVZJXSRQIIFL-CABCVRRESA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H]1CCC[C@@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000050370223 643691463 /nfs/dbraw/zinc/69/14/63/643691463.db2.gz HBEVZJXSRQIIFL-GJZGRUSLSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000050370225 643690807 /nfs/dbraw/zinc/69/08/07/643690807.db2.gz HBEVZJXSRQIIFL-HUUCEWRRSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000050370227 643691267 /nfs/dbraw/zinc/69/12/67/643691267.db2.gz HBEVZJXSRQIIFL-LSDHHAIUSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000050399657 169379111 /nfs/dbraw/zinc/37/91/11/169379111.db2.gz RTESKQYIHOEMGM-GFCCVEGCSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000050399659 643697476 /nfs/dbraw/zinc/69/74/76/643697476.db2.gz RTESKQYIHOEMGM-LBPRGKRZSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(OCC)cc1 ZINC000050399666 384696904 /nfs/dbraw/zinc/69/69/04/384696904.db2.gz SOSNZISIDDTVMS-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(OCC)cc1 ZINC000050399668 384698308 /nfs/dbraw/zinc/69/83/08/384698308.db2.gz SOSNZISIDDTVMS-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000050399690 169379255 /nfs/dbraw/zinc/37/92/55/169379255.db2.gz YGBIOMDHXQFMPB-NWDGAFQWSA-N 1 0 209.333 3.817 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000050399693 169380186 /nfs/dbraw/zinc/38/01/86/169380186.db2.gz YGBIOMDHXQFMPB-VXGBXAGGSA-N 1 0 209.333 3.817 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)cc1C ZINC000050399755 322849824 /nfs/dbraw/zinc/84/98/24/322849824.db2.gz HKKJCFMGOLYUAI-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)cc1C ZINC000050399756 384698229 /nfs/dbraw/zinc/69/82/29/384698229.db2.gz HKKJCFMGOLYUAI-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000050399878 343152566 /nfs/dbraw/zinc/15/25/66/343152566.db2.gz XQXBWMKRVFMREP-GFCCVEGCSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000050399880 343152526 /nfs/dbraw/zinc/15/25/26/343152526.db2.gz XQXBWMKRVFMREP-LBPRGKRZSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccccc1OCC ZINC000050399940 322849813 /nfs/dbraw/zinc/84/98/13/322849813.db2.gz GVKKMPFKKPKQJW-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccccc1OCC ZINC000050399943 322849818 /nfs/dbraw/zinc/84/98/18/322849818.db2.gz GVKKMPFKKPKQJW-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccccc1C ZINC000050399954 384696794 /nfs/dbraw/zinc/69/67/94/384696794.db2.gz MRXVBYQBSBLKOZ-CQSZACIVSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccccc1C ZINC000050399957 322849758 /nfs/dbraw/zinc/84/97/58/322849758.db2.gz MRXVBYQBSBLKOZ-AWEZNQCLSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC000050399958 384698443 /nfs/dbraw/zinc/69/84/43/384698443.db2.gz ISTUCIJFJLHXRW-CQSZACIVSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC000050399961 384698049 /nfs/dbraw/zinc/69/80/49/384698049.db2.gz ISTUCIJFJLHXRW-AWEZNQCLSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(C)c1 ZINC000050399967 384697730 /nfs/dbraw/zinc/69/77/30/384697730.db2.gz MBNSGKXAKNGBME-CQSZACIVSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(C)c1 ZINC000050399969 322849821 /nfs/dbraw/zinc/84/98/21/322849821.db2.gz MBNSGKXAKNGBME-AWEZNQCLSA-N 1 0 205.345 3.663 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC000050399971 322849752 /nfs/dbraw/zinc/84/97/52/322849752.db2.gz MVOUUVWXZQPDOS-OAHLLOKOSA-N 1 0 219.372 3.917 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC000050399973 322849811 /nfs/dbraw/zinc/84/98/11/322849811.db2.gz MVOUUVWXZQPDOS-HNNXBMFYSA-N 1 0 219.372 3.917 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000050399980 384697691 /nfs/dbraw/zinc/69/76/91/384697691.db2.gz UVZRVYROFVVFEY-LLVKDONJSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000050399982 384697629 /nfs/dbraw/zinc/69/76/29/384697629.db2.gz UVZRVYROFVVFEY-NSHDSACASA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1sccc1C ZINC000050400088 384695896 /nfs/dbraw/zinc/69/58/96/384695896.db2.gz CCTYVMJPDBYLSA-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1sccc1C ZINC000050400090 322849823 /nfs/dbraw/zinc/84/98/23/322849823.db2.gz CCTYVMJPDBYLSA-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000050400593 169379914 /nfs/dbraw/zinc/37/99/14/169379914.db2.gz HJGHQVDXFOEVSG-GXTWGEPZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000050400595 384697882 /nfs/dbraw/zinc/69/78/82/384697882.db2.gz HJGHQVDXFOEVSG-JSGCOSHPSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000050400597 169380061 /nfs/dbraw/zinc/38/00/61/169380061.db2.gz HJGHQVDXFOEVSG-TZMCWYRMSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000050400600 187953301 /nfs/dbraw/zinc/95/33/01/187953301.db2.gz HJGHQVDXFOEVSG-OCCSQVGLSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000050400602 384697804 /nfs/dbraw/zinc/69/78/04/384697804.db2.gz VIIACWUBWWJFCO-UKRRQHHQSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000050400605 384697023 /nfs/dbraw/zinc/69/70/23/384697023.db2.gz VIIACWUBWWJFCO-DZGCQCFKSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccccc21 ZINC000050400607 322849817 /nfs/dbraw/zinc/84/98/17/322849817.db2.gz VIIACWUBWWJFCO-HIFRSBDPSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccccc21 ZINC000050400610 384698272 /nfs/dbraw/zinc/69/82/72/384698272.db2.gz VIIACWUBWWJFCO-ZFWWWQNUSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000050400622 322849815 /nfs/dbraw/zinc/84/98/15/322849815.db2.gz SQENWXJTHFXLTQ-GXTWGEPZSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000050400624 322849807 /nfs/dbraw/zinc/84/98/07/322849807.db2.gz SQENWXJTHFXLTQ-JSGCOSHPSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000050400627 322849820 /nfs/dbraw/zinc/84/98/20/322849820.db2.gz SQENWXJTHFXLTQ-TZMCWYRMSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000050400629 384696944 /nfs/dbraw/zinc/69/69/44/384696944.db2.gz SQENWXJTHFXLTQ-OCCSQVGLSA-N 1 0 205.345 3.916 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000050400642 384697918 /nfs/dbraw/zinc/69/79/18/384697918.db2.gz VBQSRKUDWYGCIJ-GXTWGEPZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000050400645 322849812 /nfs/dbraw/zinc/84/98/12/322849812.db2.gz VBQSRKUDWYGCIJ-JSGCOSHPSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000050400647 384696011 /nfs/dbraw/zinc/69/60/11/384696011.db2.gz VBQSRKUDWYGCIJ-TZMCWYRMSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000050400649 384698290 /nfs/dbraw/zinc/69/82/90/384698290.db2.gz VBQSRKUDWYGCIJ-OCCSQVGLSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000050400675 384697670 /nfs/dbraw/zinc/69/76/70/384697670.db2.gz NSUMALVWRZZLSK-WCQYABFASA-N 1 0 221.344 3.622 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000050400677 384697926 /nfs/dbraw/zinc/69/79/26/384697926.db2.gz NSUMALVWRZZLSK-AAEUAGOBSA-N 1 0 221.344 3.622 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000050400679 322849816 /nfs/dbraw/zinc/84/98/16/322849816.db2.gz NSUMALVWRZZLSK-DGCLKSJQSA-N 1 0 221.344 3.622 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000050400682 322849804 /nfs/dbraw/zinc/84/98/04/322849804.db2.gz NSUMALVWRZZLSK-YPMHNXCESA-N 1 0 221.344 3.622 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000050400692 322849800 /nfs/dbraw/zinc/84/98/00/322849800.db2.gz PMWGPNJEYVGHRK-DZGCQCFKSA-N 1 0 249.398 3.882 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000050400695 384698186 /nfs/dbraw/zinc/69/81/86/384698186.db2.gz PMWGPNJEYVGHRK-ZFWWWQNUSA-N 1 0 249.398 3.882 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000050400697 384697033 /nfs/dbraw/zinc/69/70/33/384697033.db2.gz PMWGPNJEYVGHRK-UKRRQHHQSA-N 1 0 249.398 3.882 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000050400699 384698301 /nfs/dbraw/zinc/69/83/01/384698301.db2.gz PMWGPNJEYVGHRK-HIFRSBDPSA-N 1 0 249.398 3.882 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000050400778 322849809 /nfs/dbraw/zinc/84/98/09/322849809.db2.gz GUDZDQXNEMSGRZ-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000050400780 384697590 /nfs/dbraw/zinc/69/75/90/384697590.db2.gz GUDZDQXNEMSGRZ-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccccc1OC ZINC000050400782 322849709 /nfs/dbraw/zinc/84/97/09/322849709.db2.gz GUDZDQXNEMSGRZ-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccccc1OC ZINC000050400784 322849742 /nfs/dbraw/zinc/84/97/42/322849742.db2.gz GUDZDQXNEMSGRZ-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccsc1 ZINC000050400807 384697809 /nfs/dbraw/zinc/69/78/09/384697809.db2.gz AELMBGGJAGQKRT-CMPLNLGQSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccsc1 ZINC000050400809 384698043 /nfs/dbraw/zinc/69/80/43/384698043.db2.gz AELMBGGJAGQKRT-JQWIXIFHSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccsc1 ZINC000050400811 322849739 /nfs/dbraw/zinc/84/97/39/322849739.db2.gz AELMBGGJAGQKRT-ZYHUDNBSSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccsc1 ZINC000050400813 384695989 /nfs/dbraw/zinc/69/59/89/384695989.db2.gz AELMBGGJAGQKRT-PWSUYJOCSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000050401067 487974980 /nfs/dbraw/zinc/97/49/80/487974980.db2.gz FTFJYCPGFMFYHU-JOYOIKCWSA-N 1 0 240.416 3.989 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000050401070 487974713 /nfs/dbraw/zinc/97/47/13/487974713.db2.gz FTFJYCPGFMFYHU-CABZTGNLSA-N 1 0 240.416 3.989 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1nc(C)sc1C ZINC000050401072 487974806 /nfs/dbraw/zinc/97/48/06/487974806.db2.gz FTFJYCPGFMFYHU-BXKDBHETSA-N 1 0 240.416 3.989 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1nc(C)sc1C ZINC000050401074 487975047 /nfs/dbraw/zinc/97/50/47/487975047.db2.gz FTFJYCPGFMFYHU-SKDRFNHKSA-N 1 0 240.416 3.989 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000050401098 322849822 /nfs/dbraw/zinc/84/98/22/322849822.db2.gz ZPAFLIQXJOVUEZ-UKRRQHHQSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000050401100 322849827 /nfs/dbraw/zinc/84/98/27/322849827.db2.gz ZPAFLIQXJOVUEZ-HIFRSBDPSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000050401102 322849933 /nfs/dbraw/zinc/84/99/33/322849933.db2.gz ZPAFLIQXJOVUEZ-DZGCQCFKSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000050401104 384696040 /nfs/dbraw/zinc/69/60/40/384696040.db2.gz ZPAFLIQXJOVUEZ-ZFWWWQNUSA-N 1 0 219.372 3.958 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)s1 ZINC000050401107 322849971 /nfs/dbraw/zinc/84/99/71/322849971.db2.gz ZWQIVBDZNMVSOS-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)s1 ZINC000050401109 384696490 /nfs/dbraw/zinc/69/64/90/384696490.db2.gz ZWQIVBDZNMVSOS-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc2cccnc21 ZINC000050401133 169379567 /nfs/dbraw/zinc/37/95/67/169379567.db2.gz SMEXYOJHQAQHIO-OAHLLOKOSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000050401264 322849979 /nfs/dbraw/zinc/84/99/79/322849979.db2.gz MZCJMOZHWRLROW-CQSZACIVSA-N 1 0 235.371 3.677 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000050401266 322850090 /nfs/dbraw/zinc/85/00/90/322850090.db2.gz MZCJMOZHWRLROW-AWEZNQCLSA-N 1 0 235.371 3.677 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000050401376 384696923 /nfs/dbraw/zinc/69/69/23/384696923.db2.gz RAAWLAJAEXSRPM-GFCCVEGCSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000050401378 322849924 /nfs/dbraw/zinc/84/99/24/322849924.db2.gz RAAWLAJAEXSRPM-LBPRGKRZSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000050401436 384696511 /nfs/dbraw/zinc/69/65/11/384696511.db2.gz NKSLSZDMVCTHNX-SECBINFHSA-N 1 0 215.724 3.601 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000050401438 384697503 /nfs/dbraw/zinc/69/75/03/384697503.db2.gz NKSLSZDMVCTHNX-VIFPVBQESA-N 1 0 215.724 3.601 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000050401463 169379044 /nfs/dbraw/zinc/37/90/44/169379044.db2.gz UGMWLTRVMDJNGC-QWHCGFSZSA-N 1 0 223.360 3.769 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000050401465 187357418 /nfs/dbraw/zinc/35/74/18/187357418.db2.gz UGMWLTRVMDJNGC-STQMWFEESA-N 1 0 223.360 3.769 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000050401467 169380789 /nfs/dbraw/zinc/38/07/89/169380789.db2.gz UGMWLTRVMDJNGC-CHWSQXEVSA-N 1 0 223.360 3.769 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000050401469 188045635 /nfs/dbraw/zinc/04/56/35/188045635.db2.gz UGMWLTRVMDJNGC-OLZOCXBDSA-N 1 0 223.360 3.769 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000050401471 343152457 /nfs/dbraw/zinc/15/24/57/343152457.db2.gz HSNUWJBQGHMQFS-DZGCQCFKSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000050401473 343152465 /nfs/dbraw/zinc/15/24/65/343152465.db2.gz HSNUWJBQGHMQFS-ZFWWWQNUSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000050401475 343153019 /nfs/dbraw/zinc/15/30/19/343153019.db2.gz HSNUWJBQGHMQFS-UKRRQHHQSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000050401477 343153068 /nfs/dbraw/zinc/15/30/68/343153068.db2.gz HSNUWJBQGHMQFS-HIFRSBDPSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1OC ZINC000050401553 384697547 /nfs/dbraw/zinc/69/75/47/384697547.db2.gz BUUKOBJABFCFJA-CQSZACIVSA-N 1 0 235.371 3.672 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1OC ZINC000050401555 322850082 /nfs/dbraw/zinc/85/00/82/322850082.db2.gz BUUKOBJABFCFJA-AWEZNQCLSA-N 1 0 235.371 3.672 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000050401584 322850085 /nfs/dbraw/zinc/85/00/85/322850085.db2.gz ULTPICHERMUDNW-BXUZGUMPSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000050401586 322850089 /nfs/dbraw/zinc/85/00/89/322850089.db2.gz ULTPICHERMUDNW-SMDDNHRTSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000050401589 322850095 /nfs/dbraw/zinc/85/00/95/322850095.db2.gz ULTPICHERMUDNW-RISCZKNCSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000050401592 322850047 /nfs/dbraw/zinc/85/00/47/322850047.db2.gz ULTPICHERMUDNW-FZMZJTMJSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1csc(C)n1 ZINC000050401742 169379129 /nfs/dbraw/zinc/37/91/29/169379129.db2.gz SWTUNHIKMCPHFS-GXSJLCMTSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1csc(C)n1 ZINC000050401745 384207133 /nfs/dbraw/zinc/20/71/33/384207133.db2.gz SWTUNHIKMCPHFS-ONGXEEELSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1csc(C)n1 ZINC000050401747 169380164 /nfs/dbraw/zinc/38/01/64/169380164.db2.gz SWTUNHIKMCPHFS-MWLCHTKSSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1csc(C)n1 ZINC000050401748 384205635 /nfs/dbraw/zinc/20/56/35/384205635.db2.gz SWTUNHIKMCPHFS-KOLCDFICSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000050402180 384697662 /nfs/dbraw/zinc/69/76/62/384697662.db2.gz SIBCUZLPUGQEBY-DZGCQCFKSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000050402182 322850081 /nfs/dbraw/zinc/85/00/81/322850081.db2.gz SIBCUZLPUGQEBY-ZFWWWQNUSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1OC ZINC000050402184 322850080 /nfs/dbraw/zinc/85/00/80/322850080.db2.gz SIBCUZLPUGQEBY-UKRRQHHQSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)Cc1ccccc1OC ZINC000050402186 322850051 /nfs/dbraw/zinc/85/00/51/322850051.db2.gz SIBCUZLPUGQEBY-HIFRSBDPSA-N 1 0 249.398 3.795 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000050402218 384696808 /nfs/dbraw/zinc/69/68/08/384696808.db2.gz ZYJXHIXTYCGVBH-HZPDHXFCSA-N 1 0 231.383 3.712 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000050402220 322850092 /nfs/dbraw/zinc/85/00/92/322850092.db2.gz ZYJXHIXTYCGVBH-JKSUJKDBSA-N 1 0 231.383 3.712 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000050402223 384697921 /nfs/dbraw/zinc/69/79/21/384697921.db2.gz ZYJXHIXTYCGVBH-CVEARBPZSA-N 1 0 231.383 3.712 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000050402226 322849977 /nfs/dbraw/zinc/84/99/77/322849977.db2.gz ZYJXHIXTYCGVBH-HOTGVXAUSA-N 1 0 231.383 3.712 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000050402257 322850031 /nfs/dbraw/zinc/85/00/31/322850031.db2.gz DVXWZFAQIOTUEE-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000050402259 322849975 /nfs/dbraw/zinc/84/99/75/322849975.db2.gz DVXWZFAQIOTUEE-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000050402332 643631691 /nfs/dbraw/zinc/63/16/91/643631691.db2.gz GKTQOXAZPLBZLQ-SWLSCSKDSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000050402335 643696843 /nfs/dbraw/zinc/69/68/43/643696843.db2.gz GKTQOXAZPLBZLQ-WFASDCNBSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000050402337 643698622 /nfs/dbraw/zinc/69/86/22/643698622.db2.gz GKTQOXAZPLBZLQ-IUODEOHRSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000050402339 643697949 /nfs/dbraw/zinc/69/79/49/643697949.db2.gz GKTQOXAZPLBZLQ-DOMZBBRYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(OCC)c1 ZINC000050402521 169379838 /nfs/dbraw/zinc/37/98/38/169379838.db2.gz XJRFFEBOYCELEX-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(OCC)c1 ZINC000050402522 322849935 /nfs/dbraw/zinc/84/99/35/322849935.db2.gz XJRFFEBOYCELEX-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(C)c1C ZINC000050402773 384697909 /nfs/dbraw/zinc/69/79/09/384697909.db2.gz FQBUKTMTGZDFDG-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(C)c1C ZINC000050402776 384697737 /nfs/dbraw/zinc/69/77/37/384697737.db2.gz FQBUKTMTGZDFDG-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC000050402826 384697410 /nfs/dbraw/zinc/69/74/10/384697410.db2.gz GWCOTQPEVWQREY-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC000050402828 384696683 /nfs/dbraw/zinc/69/66/83/384696683.db2.gz GWCOTQPEVWQREY-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000050402843 384697743 /nfs/dbraw/zinc/69/77/43/384697743.db2.gz QCGHXHXUMRAPEJ-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000050402845 322849921 /nfs/dbraw/zinc/84/99/21/322849921.db2.gz QCGHXHXUMRAPEJ-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000050404208 343153060 /nfs/dbraw/zinc/15/30/60/343153060.db2.gz QQMJFSIVJZZXAB-LLVKDONJSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000050404210 343152930 /nfs/dbraw/zinc/15/29/30/343152930.db2.gz QQMJFSIVJZZXAB-NSHDSACASA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(CC)s1 ZINC000050404683 322849938 /nfs/dbraw/zinc/84/99/38/322849938.db2.gz RDTPAXRECCVUIK-LLVKDONJSA-N 1 0 225.401 3.979 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(CC)s1 ZINC000050404685 322850087 /nfs/dbraw/zinc/85/00/87/322850087.db2.gz RDTPAXRECCVUIK-NSHDSACASA-N 1 0 225.401 3.979 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2ccccc2n1 ZINC000050404703 384696657 /nfs/dbraw/zinc/69/66/57/384696657.db2.gz ABINQQXNUOAKPF-CQSZACIVSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2ccccc2n1 ZINC000050404705 322849983 /nfs/dbraw/zinc/84/99/83/322849983.db2.gz ABINQQXNUOAKPF-AWEZNQCLSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000050404707 384695912 /nfs/dbraw/zinc/69/59/12/384695912.db2.gz HUEIEHCVXWTYMR-OAHLLOKOSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000050404709 384697645 /nfs/dbraw/zinc/69/76/45/384697645.db2.gz HUEIEHCVXWTYMR-HNNXBMFYSA-N 1 0 242.366 3.903 20 0 BHADRO CC(C)O[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000050483476 411260118 /nfs/dbraw/zinc/26/01/18/411260118.db2.gz CTAHQDZXHWAIBH-AWEZNQCLSA-N 1 0 235.371 3.541 20 0 BHADRO CC(C)O[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000050483478 411259699 /nfs/dbraw/zinc/25/96/99/411259699.db2.gz CTAHQDZXHWAIBH-CQSZACIVSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000050518381 487536191 /nfs/dbraw/zinc/53/61/91/487536191.db2.gz BTCYKROLLICYHA-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000050518382 487536189 /nfs/dbraw/zinc/53/61/89/487536189.db2.gz BTCYKROLLICYHA-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000050518759 384696431 /nfs/dbraw/zinc/69/64/31/384696431.db2.gz ZZPVACVDCYUMEA-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000050518760 384696501 /nfs/dbraw/zinc/69/65/01/384696501.db2.gz ZZPVACVDCYUMEA-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO Cc1cc(C[NH2+]CCc2cccs2)ccc1F ZINC000050544628 178021942 /nfs/dbraw/zinc/02/19/42/178021942.db2.gz SMQUKETWTOUAGJ-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000050544716 643631439 /nfs/dbraw/zinc/63/14/39/643631439.db2.gz ZSKAANOAEVVYDN-UHFFFAOYSA-N 1 0 223.335 3.804 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)ccc1F ZINC000050544988 384699939 /nfs/dbraw/zinc/69/99/39/384699939.db2.gz STLHOJCHXFZBAV-LBPRGKRZSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)ccc1F ZINC000050544989 384700149 /nfs/dbraw/zinc/70/01/49/384700149.db2.gz STLHOJCHXFZBAV-GFCCVEGCSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccco2)ccc1F ZINC000050545037 178031545 /nfs/dbraw/zinc/03/15/45/178031545.db2.gz KKDZCQSEZPGFBP-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccco2)ccc1F ZINC000050545038 178039157 /nfs/dbraw/zinc/03/91/57/178039157.db2.gz KKDZCQSEZPGFBP-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)o1 ZINC000050545246 384631815 /nfs/dbraw/zinc/63/18/15/384631815.db2.gz DQKCGBQYDJHJLL-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)o1 ZINC000050545247 178893487 /nfs/dbraw/zinc/89/34/87/178893487.db2.gz DQKCGBQYDJHJLL-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc(C[NH2+]CCC2CCCC2)ccc1F ZINC000050545540 322850696 /nfs/dbraw/zinc/85/06/96/322850696.db2.gz YXKNBQWEAJHRRP-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)C)ccc1F ZINC000050545622 384699919 /nfs/dbraw/zinc/69/99/19/384699919.db2.gz RCXBSGVJCWYWRT-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CCCC2)ccc1F ZINC000050545653 384631511 /nfs/dbraw/zinc/63/15/11/384631511.db2.gz VZACXIDZNXHJDE-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545659 322850691 /nfs/dbraw/zinc/85/06/91/322850691.db2.gz BOQTVZGFXGOUIG-ZYHUDNBSSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545660 384699858 /nfs/dbraw/zinc/69/98/58/384699858.db2.gz BOQTVZGFXGOUIG-CMPLNLGQSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545661 322850682 /nfs/dbraw/zinc/85/06/82/322850682.db2.gz BOQTVZGFXGOUIG-PWSUYJOCSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545662 384700064 /nfs/dbraw/zinc/70/00/64/384700064.db2.gz BOQTVZGFXGOUIG-JQWIXIFHSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(F)c(C)c1)C(C)C ZINC000050545663 322850694 /nfs/dbraw/zinc/85/06/94/322850694.db2.gz HAYLEVMSJQODNR-AWEZNQCLSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)C(C)C ZINC000050545664 384700089 /nfs/dbraw/zinc/70/00/89/384700089.db2.gz HAYLEVMSJQODNR-CQSZACIVSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccsc2)ccc1F ZINC000050545667 178022593 /nfs/dbraw/zinc/02/25/93/178022593.db2.gz ZWJGRGIOMBHHID-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CCCCC2)ccc1F ZINC000050545721 322930879 /nfs/dbraw/zinc/93/08/79/322930879.db2.gz IJZHEPXQSDUDNV-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545747 322850571 /nfs/dbraw/zinc/85/05/71/322850571.db2.gz OWLFTSNUUDMBAP-CYBMUJFWSA-N 1 0 223.335 3.802 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545748 322850697 /nfs/dbraw/zinc/85/06/97/322850697.db2.gz OWLFTSNUUDMBAP-ZDUSSCGKSA-N 1 0 223.335 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000050569000 178086777 /nfs/dbraw/zinc/08/67/77/178086777.db2.gz YTMMQIMUWUENRT-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccccc1 ZINC000050569001 178087321 /nfs/dbraw/zinc/08/73/21/178087321.db2.gz YTMMQIMUWUENRT-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C1CCCCC1 ZINC000050569002 178086261 /nfs/dbraw/zinc/08/62/61/178086261.db2.gz SXTYFSNKOMZYQU-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]Cc1ccc(F)cc1 ZINC000050569092 178086826 /nfs/dbraw/zinc/08/68/26/178086826.db2.gz LXZPFUJKAPBEAS-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCc1cccs1 ZINC000050569100 178087083 /nfs/dbraw/zinc/08/70/83/178087083.db2.gz CZJODUMYLCFILC-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]Cc1ccccc1F ZINC000050569101 178087150 /nfs/dbraw/zinc/08/71/50/178087150.db2.gz FJUFXQMPVWXSJJ-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)cc1 ZINC000050569117 641181452 /nfs/dbraw/zinc/18/14/52/641181452.db2.gz FSGNCAHTSGAELU-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000050569199 179093486 /nfs/dbraw/zinc/09/34/86/179093486.db2.gz PJWNESAFTOGHSA-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(F)cc1C ZINC000050569214 168668252 /nfs/dbraw/zinc/66/82/52/168668252.db2.gz KORDOOKPNPPOSS-UHFFFAOYSA-N 1 0 223.335 3.804 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]Cc1cccc(F)c1 ZINC000050569274 178086965 /nfs/dbraw/zinc/08/69/65/178086965.db2.gz IFMIKECILHKFPE-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000050569296 322851731 /nfs/dbraw/zinc/85/17/31/322851731.db2.gz KMDVGZWBPMWVMI-XHDPSFHLSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000050569297 322851810 /nfs/dbraw/zinc/85/18/10/322851810.db2.gz KMDVGZWBPMWVMI-NHYWBVRUSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000050569298 384703178 /nfs/dbraw/zinc/70/31/78/384703178.db2.gz KMDVGZWBPMWVMI-IAQYHMDHSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000050569299 384703531 /nfs/dbraw/zinc/70/35/31/384703531.db2.gz KMDVGZWBPMWVMI-ABAIWWIYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CC1CCCCC1 ZINC000050569301 178086012 /nfs/dbraw/zinc/08/60/12/178086012.db2.gz XTCNXWLSEHTKAX-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1ccc(F)cc1C ZINC000050576594 179283498 /nfs/dbraw/zinc/28/34/98/179283498.db2.gz WSIVCJLBRJZFMP-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCC1CCCC1 ZINC000050576616 178085213 /nfs/dbraw/zinc/08/52/13/178085213.db2.gz OIWMTLPOXYMSCP-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCCC(C)C ZINC000050577236 384703213 /nfs/dbraw/zinc/70/32/13/384703213.db2.gz XVEVJWGPKKQJQY-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050577449 343164184 /nfs/dbraw/zinc/16/41/84/343164184.db2.gz LLHKYACDDCZGRB-ZYHUDNBSSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050577451 343163891 /nfs/dbraw/zinc/16/38/91/343163891.db2.gz LLHKYACDDCZGRB-CMPLNLGQSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050577454 343163956 /nfs/dbraw/zinc/16/39/56/343163956.db2.gz LLHKYACDDCZGRB-PWSUYJOCSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050577457 343164105 /nfs/dbraw/zinc/16/41/05/343164105.db2.gz LLHKYACDDCZGRB-JQWIXIFHSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCc1ccsc1 ZINC000050577499 178087379 /nfs/dbraw/zinc/08/73/79/178087379.db2.gz VLZKAPWGPUSJQD-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000050577785 322851683 /nfs/dbraw/zinc/85/16/83/322851683.db2.gz KHIOCEXJXSSRKH-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000050577787 384703239 /nfs/dbraw/zinc/70/32/39/384703239.db2.gz KHIOCEXJXSSRKH-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO Cn1cccc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000050595222 384702675 /nfs/dbraw/zinc/70/26/75/384702675.db2.gz PTMDVHGGYTZBDM-CABCVRRESA-N 1 0 248.414 3.720 20 0 BHADRO Cn1cccc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000050595223 384703069 /nfs/dbraw/zinc/70/30/69/384703069.db2.gz PTMDVHGGYTZBDM-GJZGRUSLSA-N 1 0 248.414 3.720 20 0 BHADRO Cn1cccc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000050595225 384703514 /nfs/dbraw/zinc/70/35/14/384703514.db2.gz PTMDVHGGYTZBDM-HUUCEWRRSA-N 1 0 248.414 3.720 20 0 BHADRO Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000050595226 384703745 /nfs/dbraw/zinc/70/37/45/384703745.db2.gz PTMDVHGGYTZBDM-LSDHHAIUSA-N 1 0 248.414 3.720 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccn2C)c(C)s1 ZINC000050595680 178229023 /nfs/dbraw/zinc/22/90/23/178229023.db2.gz RISSJNYIBPBOAP-LLVKDONJSA-N 1 0 248.395 3.554 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccn2C)c(C)s1 ZINC000050595681 178252457 /nfs/dbraw/zinc/25/24/57/178252457.db2.gz RISSJNYIBPBOAP-NSHDSACASA-N 1 0 248.395 3.554 20 0 BHADRO CCn1cc[nH+]c1NCc1ccc(C(C)C)cc1 ZINC000050614296 358735456 /nfs/dbraw/zinc/73/54/56/358735456.db2.gz ODYNIAQMCDVIOL-UHFFFAOYSA-N 1 0 243.354 3.639 20 0 BHADRO CCNc1cc(C)[nH+]c2c(C)cc(Cl)cc12 ZINC000050870672 384705097 /nfs/dbraw/zinc/70/50/97/384705097.db2.gz QGKOAIXQCBYAMS-UHFFFAOYSA-N 1 0 234.730 3.937 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000050886703 642357367 /nfs/dbraw/zinc/35/73/67/642357367.db2.gz NTIKJESCLIFWGF-LLVKDONJSA-N 1 0 239.334 3.503 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000050886704 642357416 /nfs/dbraw/zinc/35/74/16/642357416.db2.gz NTIKJESCLIFWGF-NSHDSACASA-N 1 0 239.334 3.503 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccccc1OCC ZINC000050886705 343026880 /nfs/dbraw/zinc/02/68/80/343026880.db2.gz OBVOSYDVLINRGJ-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccccc1OCC ZINC000050886706 343026454 /nfs/dbraw/zinc/02/64/54/343026454.db2.gz OBVOSYDVLINRGJ-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000050886707 322851816 /nfs/dbraw/zinc/85/18/16/322851816.db2.gz DIQDDTMEWSEGNZ-CYBMUJFWSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000050886708 384705079 /nfs/dbraw/zinc/70/50/79/384705079.db2.gz DIQDDTMEWSEGNZ-ZDUSSCGKSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000050886775 384519674 /nfs/dbraw/zinc/51/96/74/384519674.db2.gz QMLKVIYFOVGOTJ-SNVBAGLBSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000050886776 384520697 /nfs/dbraw/zinc/52/06/97/384520697.db2.gz QMLKVIYFOVGOTJ-JTQLQIEISA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1sccc1C ZINC000050886873 384582170 /nfs/dbraw/zinc/58/21/70/384582170.db2.gz KBLKUZFQRIVGHF-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1sccc1C ZINC000050886874 384706044 /nfs/dbraw/zinc/70/60/44/384706044.db2.gz KBLKUZFQRIVGHF-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000050886981 384706327 /nfs/dbraw/zinc/70/63/27/384706327.db2.gz QSWFXNILJLTVHS-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000050886982 384706925 /nfs/dbraw/zinc/70/69/25/384706925.db2.gz QSWFXNILJLTVHS-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000050886983 384705887 /nfs/dbraw/zinc/70/58/87/384705887.db2.gz QSWFXNILJLTVHS-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000050886984 384706146 /nfs/dbraw/zinc/70/61/46/384706146.db2.gz QSWFXNILJLTVHS-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050887065 488195872 /nfs/dbraw/zinc/19/58/72/488195872.db2.gz NICJDJFWGNEDKM-MNOVXSKESA-N 1 0 211.374 3.977 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050887066 488196012 /nfs/dbraw/zinc/19/60/12/488196012.db2.gz NICJDJFWGNEDKM-QWRGUYRKSA-N 1 0 211.374 3.977 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050887067 488077122 /nfs/dbraw/zinc/07/71/22/488077122.db2.gz NICJDJFWGNEDKM-GHMZBOCLSA-N 1 0 211.374 3.977 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050887068 488196218 /nfs/dbraw/zinc/19/62/18/488196218.db2.gz NICJDJFWGNEDKM-WDEREUQCSA-N 1 0 211.374 3.977 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000050887221 642357718 /nfs/dbraw/zinc/35/77/18/642357718.db2.gz XQNNNSDFROVCIA-CYBMUJFWSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000050887222 642357526 /nfs/dbraw/zinc/35/75/26/642357526.db2.gz XQNNNSDFROVCIA-ZDUSSCGKSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000050887299 384705118 /nfs/dbraw/zinc/70/51/18/384705118.db2.gz DZEFAYZLFXTPCA-SNVBAGLBSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000050887300 322851679 /nfs/dbraw/zinc/85/16/79/322851679.db2.gz DZEFAYZLFXTPCA-JTQLQIEISA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000050887329 488076978 /nfs/dbraw/zinc/07/69/78/488076978.db2.gz QUUQAOYPWAAJOV-SECBINFHSA-N 1 0 215.724 3.601 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000050887330 488196143 /nfs/dbraw/zinc/19/61/43/488196143.db2.gz QUUQAOYPWAAJOV-VIFPVBQESA-N 1 0 215.724 3.601 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000050887383 322851709 /nfs/dbraw/zinc/85/17/09/322851709.db2.gz KBNGVTUYLBPUOM-BXUZGUMPSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000050887384 384705771 /nfs/dbraw/zinc/70/57/71/384705771.db2.gz KBNGVTUYLBPUOM-SMDDNHRTSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000050887385 322851802 /nfs/dbraw/zinc/85/18/02/322851802.db2.gz KBNGVTUYLBPUOM-RISCZKNCSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000050887386 322851804 /nfs/dbraw/zinc/85/18/04/322851804.db2.gz KBNGVTUYLBPUOM-FZMZJTMJSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000050888853 384651493 /nfs/dbraw/zinc/65/14/93/384651493.db2.gz ZGNXQGCTKWMCKL-CYBMUJFWSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000050888854 384707375 /nfs/dbraw/zinc/70/73/75/384707375.db2.gz ZGNXQGCTKWMCKL-ZDUSSCGKSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000050888857 343026907 /nfs/dbraw/zinc/02/69/07/343026907.db2.gz ROVOHTRHOILHLM-CYBMUJFWSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000050888858 343026628 /nfs/dbraw/zinc/02/66/28/343026628.db2.gz ROVOHTRHOILHLM-ZDUSSCGKSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000050890042 343026781 /nfs/dbraw/zinc/02/67/81/343026781.db2.gz ZPHYRCPRCGKURD-CYBMUJFWSA-N 1 0 246.398 3.713 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000050890043 343026736 /nfs/dbraw/zinc/02/67/36/343026736.db2.gz ZPHYRCPRCGKURD-ZDUSSCGKSA-N 1 0 246.398 3.713 20 0 BHADRO Cc1ccccc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000050988986 350502442 /nfs/dbraw/zinc/50/24/42/350502442.db2.gz RSKKOADGQFAVDQ-UHFFFAOYSA-N 1 0 229.367 3.615 20 0 BHADRO CC(C)c1nc(C[NH+]2CCCCCC2)cs1 ZINC000051092631 323173337 /nfs/dbraw/zinc/17/33/37/323173337.db2.gz CCIQODWIMBBYQG-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000051149625 346956955 /nfs/dbraw/zinc/95/69/55/346956955.db2.gz KEVZAHDNFNWHJO-NEPJUHHUSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000051149627 346956880 /nfs/dbraw/zinc/95/68/80/346956880.db2.gz KEVZAHDNFNWHJO-RYUDHWBXSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1CCC(C)CC1 ZINC000051208831 346987835 /nfs/dbraw/zinc/98/78/35/346987835.db2.gz LCTYEMJUFCUWOK-LBPRGKRZSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1CCC(C)CC1 ZINC000051208833 346987781 /nfs/dbraw/zinc/98/77/81/346987781.db2.gz LCTYEMJUFCUWOK-GFCCVEGCSA-N 1 0 221.319 3.619 20 0 BHADRO CCCC[N@H+](CC)Cc1csc(C(C)C)n1 ZINC000051266735 343253776 /nfs/dbraw/zinc/25/37/76/343253776.db2.gz DPXXTTVFZGQTKT-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000051573665 631811671 /nfs/dbraw/zinc/81/16/71/631811671.db2.gz MWGCOWPCOXWDKO-CYBMUJFWSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000051573666 631811216 /nfs/dbraw/zinc/81/12/16/631811216.db2.gz MWGCOWPCOXWDKO-ZDUSSCGKSA-N 1 0 234.387 3.839 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000051573682 323190014 /nfs/dbraw/zinc/19/00/14/323190014.db2.gz BEESYMUAZMHVCW-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(C)n1 ZINC000051573684 323189996 /nfs/dbraw/zinc/18/99/96/323189996.db2.gz BEESYMUAZMHVCW-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000051573686 323190024 /nfs/dbraw/zinc/19/00/24/323190024.db2.gz BEESYMUAZMHVCW-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000051573688 323189914 /nfs/dbraw/zinc/18/99/14/323189914.db2.gz BEESYMUAZMHVCW-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000051573704 323189989 /nfs/dbraw/zinc/18/99/89/323189989.db2.gz WGTOWZHBPWCJJR-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000051573706 323189984 /nfs/dbraw/zinc/18/99/84/323189984.db2.gz WGTOWZHBPWCJJR-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000051574033 358755293 /nfs/dbraw/zinc/75/52/93/358755293.db2.gz KHJIBZIBDXTACX-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000051574035 358755094 /nfs/dbraw/zinc/75/50/94/358755094.db2.gz KHJIBZIBDXTACX-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000051574086 358755579 /nfs/dbraw/zinc/75/55/79/358755579.db2.gz SKPHLEXSFPXAKB-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000051574089 358755265 /nfs/dbraw/zinc/75/52/65/358755265.db2.gz SKPHLEXSFPXAKB-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)n1)c1ccccc1 ZINC000051574189 387800370 /nfs/dbraw/zinc/80/03/70/387800370.db2.gz DFKDOFLTCMABJH-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccccc1 ZINC000051574191 358755515 /nfs/dbraw/zinc/75/55/15/358755515.db2.gz DFKDOFLTCMABJH-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO Cc1cccc(C[NH2+]C(CC(C)C)CC(C)C)n1 ZINC000051574688 323189946 /nfs/dbraw/zinc/18/99/46/323189946.db2.gz WGMQMIIJKUKADG-UHFFFAOYSA-N 1 0 248.414 3.940 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)n1)c1cccs1 ZINC000051574738 387800445 /nfs/dbraw/zinc/80/04/45/387800445.db2.gz YNMBNNVWGVQBFD-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cccs1 ZINC000051574740 358755621 /nfs/dbraw/zinc/75/56/21/358755621.db2.gz YNMBNNVWGVQBFD-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C)n2)c1 ZINC000051575337 518190661 /nfs/dbraw/zinc/19/06/61/518190661.db2.gz GKBHCJXKAIXINO-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cccc(C)n2)c1 ZINC000051575339 358755476 /nfs/dbraw/zinc/75/54/76/358755476.db2.gz GKBHCJXKAIXINO-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(CNc2cc[nH+]c3ccccc23)n1 ZINC000051576914 322851060 /nfs/dbraw/zinc/85/10/60/322851060.db2.gz KUCFDNQCVMDDEQ-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccnc(Cl)c1)C(C)(C)C ZINC000051602978 631813919 /nfs/dbraw/zinc/81/39/19/631813919.db2.gz FHWGCZQEADPHLY-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccnc(Cl)c1)C(C)(C)C ZINC000051602979 631814619 /nfs/dbraw/zinc/81/46/19/631814619.db2.gz FHWGCZQEADPHLY-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(O)cc1)c1ccccc1 ZINC000051626159 487954814 /nfs/dbraw/zinc/95/48/14/487954814.db2.gz WDCOEBJWHRYDNG-INIZCTEOSA-N 1 0 241.334 3.633 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(O)cc1)c1ccccc1 ZINC000051626160 487954899 /nfs/dbraw/zinc/95/48/99/487954899.db2.gz WDCOEBJWHRYDNG-MRXNPFEDSA-N 1 0 241.334 3.633 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000051626454 384674828 /nfs/dbraw/zinc/67/48/28/384674828.db2.gz CESMMOZWWAIPSG-INIZCTEOSA-N 1 0 241.334 3.633 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000051626456 343627505 /nfs/dbraw/zinc/62/75/05/343627505.db2.gz CESMMOZWWAIPSG-MRXNPFEDSA-N 1 0 241.334 3.633 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccccc1 ZINC000051626576 358755999 /nfs/dbraw/zinc/75/59/99/358755999.db2.gz STLUFMATMTVTGS-ZFWWWQNUSA-N 1 0 249.398 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccccc1 ZINC000051626578 358756228 /nfs/dbraw/zinc/75/62/28/358756228.db2.gz STLUFMATMTVTGS-DZGCQCFKSA-N 1 0 249.398 3.931 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccccc1 ZINC000051626579 358756105 /nfs/dbraw/zinc/75/61/05/358756105.db2.gz STLUFMATMTVTGS-HIFRSBDPSA-N 1 0 249.398 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccccc1 ZINC000051626581 358755969 /nfs/dbraw/zinc/75/59/69/358755969.db2.gz STLUFMATMTVTGS-UKRRQHHQSA-N 1 0 249.398 3.931 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000051626756 631820936 /nfs/dbraw/zinc/82/09/36/631820936.db2.gz LUUDHQXWILZNLW-JSGCOSHPSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000051626758 631820720 /nfs/dbraw/zinc/82/07/20/631820720.db2.gz LUUDHQXWILZNLW-GXTWGEPZSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000051626760 631820687 /nfs/dbraw/zinc/82/06/87/631820687.db2.gz LUUDHQXWILZNLW-OCCSQVGLSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000051626761 631821165 /nfs/dbraw/zinc/82/11/65/631821165.db2.gz LUUDHQXWILZNLW-TZMCWYRMSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccccc1 ZINC000051627086 358756532 /nfs/dbraw/zinc/75/65/32/358756532.db2.gz WBUFBJOPNXHTKK-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccccc1 ZINC000051627090 358756011 /nfs/dbraw/zinc/75/60/11/358756011.db2.gz WBUFBJOPNXHTKK-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccccc1 ZINC000051627091 323190346 /nfs/dbraw/zinc/19/03/46/323190346.db2.gz WBUFBJOPNXHTKK-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C)c2)o1 ZINC000051668563 384704018 /nfs/dbraw/zinc/70/40/18/384704018.db2.gz XUMKVZXXBGWEAV-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C)c2)o1 ZINC000051668564 384703728 /nfs/dbraw/zinc/70/37/28/384703728.db2.gz XUMKVZXXBGWEAV-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cccc(CC[NH2+]Cc2ccccc2C)c1 ZINC000051668622 322851418 /nfs/dbraw/zinc/85/14/18/322851418.db2.gz QEEMNNHGORGAOT-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccc(C)c2)cc1 ZINC000051668624 322851458 /nfs/dbraw/zinc/85/14/58/322851458.db2.gz QODGZWFLWXKLRF-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1cccc(CC[NH2+]Cc2cccc(C)c2)c1 ZINC000051668626 179058727 /nfs/dbraw/zinc/05/87/27/179058727.db2.gz FFIIVEQUSKYKEA-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1cccc(CC[NH2+]C2CCC(C)CC2)c1 ZINC000051668633 384703161 /nfs/dbraw/zinc/70/31/61/384703161.db2.gz QZEZTPKPYWTXEO-UHFFFAOYSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000051668635 384702749 /nfs/dbraw/zinc/70/27/49/384702749.db2.gz BZOXJNFUDLZOME-UHFFFAOYSA-N 1 0 231.383 3.850 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000051668655 384704008 /nfs/dbraw/zinc/70/40/08/384704008.db2.gz AXEJFMKBYBCBSG-GOEBONIOSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000051668657 384702810 /nfs/dbraw/zinc/70/28/10/384702810.db2.gz AXEJFMKBYBCBSG-HOCLYGCPSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000051668658 384702900 /nfs/dbraw/zinc/70/29/00/384702900.db2.gz AXEJFMKBYBCBSG-GDBMZVCRSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000051668660 322851359 /nfs/dbraw/zinc/85/13/59/322851359.db2.gz AXEJFMKBYBCBSG-ZBFHGGJFSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccsc1C[NH2+]CCc1cccc(C)c1 ZINC000051668676 322851457 /nfs/dbraw/zinc/85/14/57/322851457.db2.gz PGQYXRYQQXVCAN-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)CC(C)C)c1 ZINC000051668781 322851468 /nfs/dbraw/zinc/85/14/68/322851468.db2.gz FIEDPNFAQATHAD-AWEZNQCLSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)CC(C)C)c1 ZINC000051668783 384701657 /nfs/dbraw/zinc/70/16/57/384701657.db2.gz FIEDPNFAQATHAD-CQSZACIVSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)c2cccs2)c1 ZINC000051668785 384702367 /nfs/dbraw/zinc/70/23/67/384702367.db2.gz IWOFIZHAWMCIFE-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)c2cccs2)c1 ZINC000051668787 322851515 /nfs/dbraw/zinc/85/15/15/322851515.db2.gz IWOFIZHAWMCIFE-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)c2ccccc2)c1 ZINC000051668841 322851448 /nfs/dbraw/zinc/85/14/48/322851448.db2.gz MXJUZKXYWWVASR-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)c2ccccc2)c1 ZINC000051668842 384703127 /nfs/dbraw/zinc/70/31/27/384703127.db2.gz MXJUZKXYWWVASR-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)c2ccsc2)c1 ZINC000051668904 384702020 /nfs/dbraw/zinc/70/20/20/384702020.db2.gz XXEAERQYRJLGPJ-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)c2ccsc2)c1 ZINC000051668906 384701785 /nfs/dbraw/zinc/70/17/85/384701785.db2.gz XXEAERQYRJLGPJ-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051668983 322851454 /nfs/dbraw/zinc/85/14/54/322851454.db2.gz QZZSKNQCTOCRFJ-ZIAGYGMSSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051668985 384702740 /nfs/dbraw/zinc/70/27/40/384702740.db2.gz QZZSKNQCTOCRFJ-UONOGXRCSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051668987 322851420 /nfs/dbraw/zinc/85/14/20/322851420.db2.gz QZZSKNQCTOCRFJ-KGLIPLIRSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051668989 384701951 /nfs/dbraw/zinc/70/19/51/384701951.db2.gz QZZSKNQCTOCRFJ-KBPBESRZSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccc(C)c2)s1 ZINC000051669024 384701767 /nfs/dbraw/zinc/70/17/67/384701767.db2.gz HKERGNHSHMXCSR-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(CC[NH2+]Cc2ccc(Cl)o2)c1 ZINC000051669143 323190538 /nfs/dbraw/zinc/19/05/38/323190538.db2.gz DYOPFCCYWSLMIL-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC[C@H]([NH2+]CCc1cccc(C)c1)C(C)C ZINC000051669348 322851483 /nfs/dbraw/zinc/85/14/83/322851483.db2.gz WORJFUYFQCBNGS-HNNXBMFYSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H]([NH2+]CCc1cccc(C)c1)C(C)C ZINC000051669350 322851446 /nfs/dbraw/zinc/85/14/46/322851446.db2.gz WORJFUYFQCBNGS-OAHLLOKOSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[NH2+]CCC(C)(C)C)c1 ZINC000051669738 384701800 /nfs/dbraw/zinc/70/18/00/384701800.db2.gz ISVYDRZZNWIXJQ-UHFFFAOYSA-N 1 0 219.372 3.563 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC000051686171 355720477 /nfs/dbraw/zinc/72/04/77/355720477.db2.gz PHFDAPBZZDUVTG-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC000051686173 350760973 /nfs/dbraw/zinc/76/09/73/350760973.db2.gz PHFDAPBZZDUVTG-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CCCCC[N@H+](C/C=C/Cl)C(C)C ZINC000051709063 640598604 /nfs/dbraw/zinc/59/86/04/640598604.db2.gz FSNMEEUWIAQGKF-BQYQJAHWSA-N 1 0 203.757 3.640 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(CC)s1 ZINC000051717312 632649587 /nfs/dbraw/zinc/64/95/87/632649587.db2.gz WVEJZWFBCBRQFJ-UHFFFAOYSA-N 1 0 225.401 3.980 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000051721146 398057922 /nfs/dbraw/zinc/05/79/22/398057922.db2.gz KKFIEWYOACAMRC-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000051721147 398057723 /nfs/dbraw/zinc/05/77/23/398057723.db2.gz KKFIEWYOACAMRC-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC(C)CC2)o1 ZINC000051721392 358760372 /nfs/dbraw/zinc/76/03/72/358760372.db2.gz DZCRXXMNWWACDG-UHFFFAOYSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)o1 ZINC000051721438 322851462 /nfs/dbraw/zinc/85/14/62/322851462.db2.gz QVILEDPVEHMZMU-SMDDNHRTSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)o1 ZINC000051721440 322851530 /nfs/dbraw/zinc/85/15/30/322851530.db2.gz QVILEDPVEHMZMU-FZMZJTMJSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)o1 ZINC000051721442 322851465 /nfs/dbraw/zinc/85/14/65/322851465.db2.gz QVILEDPVEHMZMU-BXUZGUMPSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)o1 ZINC000051721445 384703026 /nfs/dbraw/zinc/70/30/26/384703026.db2.gz QVILEDPVEHMZMU-RISCZKNCSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000051721544 384703896 /nfs/dbraw/zinc/70/38/96/384703896.db2.gz WBLCUNSGXPYMDP-UHFFFAOYSA-N 1 0 233.355 3.822 20 0 BHADRO CCc1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000051721603 322851325 /nfs/dbraw/zinc/85/13/25/322851325.db2.gz VNTRQHXUEXZWPC-UHFFFAOYSA-N 1 0 221.344 3.654 20 0 BHADRO CCc1ccc(C[NH2+]CCCc2ccccc2)o1 ZINC000051721606 384703953 /nfs/dbraw/zinc/70/39/53/384703953.db2.gz STWUBAZIHJOPGY-UHFFFAOYSA-N 1 0 243.350 3.564 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000051721706 398057414 /nfs/dbraw/zinc/05/74/14/398057414.db2.gz DGMAGRGBQHGZCP-MRXNPFEDSA-N 1 0 241.334 3.619 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)o1 ZINC000051721748 322851450 /nfs/dbraw/zinc/85/14/50/322851450.db2.gz IVOVTCWEUKDVFH-CYBMUJFWSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)c2ccccc2)o1 ZINC000051721751 384702869 /nfs/dbraw/zinc/70/28/69/384702869.db2.gz IVOVTCWEUKDVFH-ZDUSSCGKSA-N 1 0 243.350 3.735 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(CC)o1 ZINC000051721776 631885803 /nfs/dbraw/zinc/88/58/03/631885803.db2.gz AXYMKRMBFDTVEI-UHFFFAOYSA-N 1 0 209.333 3.512 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCc2ccco2)o1 ZINC000051721791 134685551 /nfs/dbraw/zinc/68/55/51/134685551.db2.gz ZDHNTOAXJFZTPW-LBPRGKRZSA-N 1 0 247.338 3.546 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCc2ccco2)o1 ZINC000051721794 358760301 /nfs/dbraw/zinc/76/03/01/358760301.db2.gz ZDHNTOAXJFZTPW-GFCCVEGCSA-N 1 0 247.338 3.546 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000051721990 323190636 /nfs/dbraw/zinc/19/06/36/323190636.db2.gz TZUAIANYNSEIHZ-UHFFFAOYSA-N 1 0 249.741 3.785 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)o1 ZINC000051722203 358760507 /nfs/dbraw/zinc/76/05/07/358760507.db2.gz UDLMGZNLNLPMBY-NWDGAFQWSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)o1 ZINC000051722204 358760666 /nfs/dbraw/zinc/76/06/66/358760666.db2.gz UDLMGZNLNLPMBY-RYUDHWBXSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)o1 ZINC000051722207 358760249 /nfs/dbraw/zinc/76/02/49/358760249.db2.gz UDLMGZNLNLPMBY-VXGBXAGGSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)o1 ZINC000051722210 358760650 /nfs/dbraw/zinc/76/06/50/358760650.db2.gz UDLMGZNLNLPMBY-NEPJUHHUSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+]CC2CCCCC2)o1 ZINC000051722217 384703599 /nfs/dbraw/zinc/70/35/99/384703599.db2.gz RSQAUHIDBLIRTQ-UHFFFAOYSA-N 1 0 221.344 3.512 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)Cc2cccs2)o1 ZINC000051723050 322851711 /nfs/dbraw/zinc/85/17/11/322851711.db2.gz RCGBHLVGCFKWOB-NSHDSACASA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)Cc2cccs2)o1 ZINC000051723052 322851725 /nfs/dbraw/zinc/85/17/25/322851725.db2.gz RCGBHLVGCFKWOB-LLVKDONJSA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+]CCC2CCCC2)o1 ZINC000051724267 384702034 /nfs/dbraw/zinc/70/20/34/384702034.db2.gz RAACXZGYCGZYOO-UHFFFAOYSA-N 1 0 221.344 3.512 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)o1 ZINC000051724829 323190903 /nfs/dbraw/zinc/19/09/03/323190903.db2.gz QVLPDKUMUFILKS-NSHDSACASA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)Cc2ccsc2)o1 ZINC000051724831 323190831 /nfs/dbraw/zinc/19/08/31/323190831.db2.gz QVLPDKUMUFILKS-LLVKDONJSA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CCCCC2)o1 ZINC000051725017 384701883 /nfs/dbraw/zinc/70/18/83/384701883.db2.gz GBSZYXZRAARBMY-UHFFFAOYSA-N 1 0 221.344 3.654 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)s2)o1 ZINC000051725071 398058668 /nfs/dbraw/zinc/05/86/68/398058668.db2.gz HDULBCDOSIKKFC-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(CC)o1 ZINC000051725088 384703262 /nfs/dbraw/zinc/70/32/62/384703262.db2.gz BZCJPYHOWZALLD-LLVKDONJSA-N 1 0 209.333 3.510 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(CC)o1 ZINC000051725093 384702079 /nfs/dbraw/zinc/70/20/79/384702079.db2.gz BZCJPYHOWZALLD-NSHDSACASA-N 1 0 209.333 3.510 20 0 BHADRO CC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000051789849 358059424 /nfs/dbraw/zinc/05/94/24/358059424.db2.gz MXOZQHLTEYLLIH-VMPITWQZSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000051789858 176080774 /nfs/dbraw/zinc/08/07/74/176080774.db2.gz IUGNCHCTOPEYOD-WWQFSPIMSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000051789862 176087838 /nfs/dbraw/zinc/08/78/38/176087838.db2.gz IUGNCHCTOPEYOD-ZVXABGALSA-N 1 0 229.367 3.868 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CCc1cccs1 ZINC000051789865 188299889 /nfs/dbraw/zinc/29/98/89/188299889.db2.gz OEQCEEBPSMMWIK-XBXARRHUSA-N 1 0 243.375 3.594 20 0 BHADRO Fc1ccccc1C[NH2+]C/C=C/c1ccccc1 ZINC000051789868 181011409 /nfs/dbraw/zinc/01/14/09/181011409.db2.gz JIMQTYYACYVLOK-RMKNXTFCSA-N 1 0 241.309 3.629 20 0 BHADRO Fc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000051789904 384699312 /nfs/dbraw/zinc/69/93/12/384699312.db2.gz DOTWYFKZIQKJHC-WEVVVXLNSA-N 1 0 241.309 3.629 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000051789922 384699419 /nfs/dbraw/zinc/69/94/19/384699419.db2.gz TXTZFAPVNLTKKQ-DGNXDGCUSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000051789926 384700071 /nfs/dbraw/zinc/70/00/71/384700071.db2.gz TXTZFAPVNLTKKQ-YHOLHYGNSA-N 1 0 229.367 3.868 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CC1CCCCC1 ZINC000051789932 384704307 /nfs/dbraw/zinc/70/43/07/384704307.db2.gz HUMBPJXUWVZPGC-KPKJPENVSA-N 1 0 229.367 3.870 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051789934 384704354 /nfs/dbraw/zinc/70/43/54/384704354.db2.gz UTLBQIXQRWRVAD-DNGMOHDESA-N 1 0 217.356 3.724 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051789935 384702890 /nfs/dbraw/zinc/70/28/90/384702890.db2.gz UTLBQIXQRWRVAD-RNVIBTMRSA-N 1 0 217.356 3.724 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000051789973 384703184 /nfs/dbraw/zinc/70/31/84/384703184.db2.gz BWLOXYIDAZTBIC-NEXMIYJRSA-N 1 0 227.307 3.644 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000051789975 384703224 /nfs/dbraw/zinc/70/32/24/384703224.db2.gz BWLOXYIDAZTBIC-OMDQHUAHSA-N 1 0 227.307 3.644 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CCc2ccccc21 ZINC000051790007 187298880 /nfs/dbraw/zinc/29/88/80/187298880.db2.gz CLNUIOGMOUJAMN-AHKGRUIUSA-N 1 0 249.357 3.977 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@H]1CCc2ccccc21 ZINC000051790009 322850996 /nfs/dbraw/zinc/85/09/96/322850996.db2.gz CLNUIOGMOUJAMN-YOCVDRLZSA-N 1 0 249.357 3.977 20 0 BHADRO Cc1ccccc1C[NH2+]C/C=C/c1ccccc1 ZINC000051790034 179280598 /nfs/dbraw/zinc/28/05/98/179280598.db2.gz ZSHQVARYDBNGMS-YRNVUSSQSA-N 1 0 237.346 3.798 20 0 BHADRO Cc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000051790036 179088074 /nfs/dbraw/zinc/08/80/74/179088074.db2.gz NBCNXNULKZEOGU-IZZDOVSWSA-N 1 0 237.346 3.798 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CCC1CCCC1 ZINC000051790040 322853376 /nfs/dbraw/zinc/85/33/76/322853376.db2.gz UXGKJZPVZJYNMZ-IZZDOVSWSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1 ZINC000051790113 175774486 /nfs/dbraw/zinc/77/44/86/175774486.db2.gz UAHIYEXKJLAHCD-KVEVGEHQSA-N 1 0 241.334 3.514 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1 ZINC000051790115 631917534 /nfs/dbraw/zinc/91/75/34/631917534.db2.gz UAHIYEXKJLAHCD-VZUFXWRPSA-N 1 0 241.334 3.514 20 0 BHADRO CC(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000051790117 322853454 /nfs/dbraw/zinc/85/34/54/322853454.db2.gz CYVKUFYJYPYMKC-YRNVUSSQSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000051790126 322853274 /nfs/dbraw/zinc/85/32/74/322853274.db2.gz RQGASSJLRGPZEH-VIIAAUOXSA-N 1 0 241.334 3.952 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000051790128 384713907 /nfs/dbraw/zinc/71/39/07/384713907.db2.gz RQGASSJLRGPZEH-MRZGDXHCSA-N 1 0 241.334 3.952 20 0 BHADRO CC1([NH2+]C/C=C/c2ccccc2)CCCC1 ZINC000051790174 384712885 /nfs/dbraw/zinc/71/28/85/384712885.db2.gz HMXMUQCKPNNUKD-JXMROGBWSA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051790194 322853231 /nfs/dbraw/zinc/85/32/31/322853231.db2.gz PETHUGNPIWSWEI-PMGKTQQESA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051790198 322853459 /nfs/dbraw/zinc/85/34/59/322853459.db2.gz PETHUGNPIWSWEI-NNBBXFQRSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccccc1)C(C)C ZINC000051790225 384713976 /nfs/dbraw/zinc/71/39/76/384713976.db2.gz ILLOOISHJNSQMH-SHQCLWGWSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/c1ccccc1)C(C)C ZINC000051790227 322853415 /nfs/dbraw/zinc/85/34/15/322853415.db2.gz ILLOOISHJNSQMH-KUCQQTCKSA-N 1 0 217.356 3.724 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CCc1ccsc1 ZINC000051790233 490194322 /nfs/dbraw/zinc/19/43/22/490194322.db2.gz CRUICIUSJVWFQL-QPJJXVBHSA-N 1 0 243.375 3.594 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@H]1CC=CCC1 ZINC000051790421 322853451 /nfs/dbraw/zinc/85/34/51/322853451.db2.gz XPEMNQPNHWTLPB-MZTACXPWSA-N 1 0 227.351 3.646 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CC=CCC1 ZINC000051790423 322853256 /nfs/dbraw/zinc/85/32/56/322853256.db2.gz XPEMNQPNHWTLPB-NYUWMOHMSA-N 1 0 227.351 3.646 20 0 BHADRO Cc1ccc(C[NH2+]C/C=C/c2ccccc2)s1 ZINC000051790437 322853412 /nfs/dbraw/zinc/85/34/12/322853412.db2.gz QRCXVDXAIKWOJZ-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO CCC[C@@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC000051790451 322853287 /nfs/dbraw/zinc/85/32/87/322853287.db2.gz MBWNAJMWXLGYLI-INDWDQIESA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC000051790452 384713548 /nfs/dbraw/zinc/71/35/48/384713548.db2.gz MBWNAJMWXLGYLI-JQVXPOPVSA-N 1 0 217.356 3.868 20 0 BHADRO CCCC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051790464 322853342 /nfs/dbraw/zinc/85/33/42/322853342.db2.gz RWUWKOIXGMXDPE-CEFACKQISA-N 1 0 217.356 3.868 20 0 BHADRO CCCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051790466 322853406 /nfs/dbraw/zinc/85/34/06/322853406.db2.gz RWUWKOIXGMXDPE-BCNIOPEESA-N 1 0 217.356 3.868 20 0 BHADRO c1cnc2cccc(C[NH2+]C3CCCCC3)c2c1 ZINC000051814921 631936340 /nfs/dbraw/zinc/93/63/40/631936340.db2.gz TYOJICLFEINBME-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1c(C)noc1C ZINC000051824696 358764145 /nfs/dbraw/zinc/76/41/45/358764145.db2.gz ACNVZZPXOLYSKV-UHFFFAOYSA-N 1 0 238.375 3.550 20 0 BHADRO c1ccc(C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000051848403 343266071 /nfs/dbraw/zinc/26/60/71/343266071.db2.gz GKBHADMABGMMAJ-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CC[NH+](CC)Cc1ccc(Cl)c2cccnc12 ZINC000051880224 350864977 /nfs/dbraw/zinc/86/49/77/350864977.db2.gz DHHCAKVXMSHGEH-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CC[NH+](CC)Cc1c(Cl)ccc2cccnc21 ZINC000051880227 358765838 /nfs/dbraw/zinc/76/58/38/358765838.db2.gz KPGWAKQBELPOGH-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CC[N@H+](Cc1nc2ccccc2o1)C1CCCC1 ZINC000051907427 343279005 /nfs/dbraw/zinc/27/90/05/343279005.db2.gz RWQCTQWSFRDYJD-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)o1 ZINC000051965756 350872449 /nfs/dbraw/zinc/87/24/49/350872449.db2.gz CCXKMLSTDBVGLS-UHFFFAOYSA-N 1 0 241.334 3.753 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967228 350830995 /nfs/dbraw/zinc/83/09/95/350830995.db2.gz BSQTWKZDDYZGLM-UHFFFAOYSA-N 1 0 219.328 3.519 20 0 BHADRO CCC[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051992255 350885132 /nfs/dbraw/zinc/88/51/32/350885132.db2.gz PVODDXFJKZZNPV-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO C[N@@H+](C/C=C/Cl)CCCCc1ccccc1 ZINC000052037579 632051185 /nfs/dbraw/zinc/05/11/85/632051185.db2.gz JVSYWXOTQRDYAL-YRNVUSSQSA-N 1 0 237.774 3.694 20 0 BHADRO [NH2+]=C(NCCC1CCCCC1)Nc1ccccc1 ZINC000052047400 632055612 /nfs/dbraw/zinc/05/56/12/632055612.db2.gz SHIRAVZKPRXXLK-UHFFFAOYSA-N 1 0 245.370 3.593 20 0 BHADRO [NH2+]=C(NCCC1=CCCCC1)Nc1ccccc1 ZINC000052047987 181199420 /nfs/dbraw/zinc/19/94/20/181199420.db2.gz VDLYIVWLRMGSCV-UHFFFAOYSA-N 1 0 243.354 3.513 20 0 BHADRO CCC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052048844 358772482 /nfs/dbraw/zinc/77/24/82/358772482.db2.gz DJZOJAWAVGVKHU-UHFFFAOYSA-N 1 0 231.261 3.547 20 0 BHADRO CSCCC[NH2+]Cc1cccc2ccccc21 ZINC000052060508 632059934 /nfs/dbraw/zinc/05/99/34/632059934.db2.gz QSPKKCZYRYROLV-UHFFFAOYSA-N 1 0 245.391 3.683 20 0 BHADRO CC(C)=CC[NH+](C)[C@@H](C)c1ccccc1F ZINC000052074353 350929855 /nfs/dbraw/zinc/92/98/55/350929855.db2.gz CMRDGPDCOUGRTN-LBPRGKRZSA-N 1 0 221.319 3.785 20 0 BHADRO CC(C)=CC[NH+](C)[C@H](C)c1ccccc1F ZINC000052074354 350930022 /nfs/dbraw/zinc/93/00/22/350930022.db2.gz CMRDGPDCOUGRTN-GFCCVEGCSA-N 1 0 221.319 3.785 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052075295 350904755 /nfs/dbraw/zinc/90/47/55/350904755.db2.gz GYGFOBTYYKGQLZ-JTQLQIEISA-N 1 0 227.298 3.614 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000052075296 350904467 /nfs/dbraw/zinc/90/44/67/350904467.db2.gz GYGFOBTYYKGQLZ-SNVBAGLBSA-N 1 0 227.298 3.614 20 0 BHADRO Cl/C=C/C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077057 632064309 /nfs/dbraw/zinc/06/43/09/632064309.db2.gz IPYQVOZKNDTYKH-XBXARRHUSA-N 1 0 239.746 3.777 20 0 BHADRO CC(C)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077220 350908225 /nfs/dbraw/zinc/90/82/25/350908225.db2.gz IKEQSKNDMKMBIZ-UHFFFAOYSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077910 350908153 /nfs/dbraw/zinc/90/81/53/350908153.db2.gz FWVKIBXQPWGOKN-CYBMUJFWSA-N 1 0 223.747 3.887 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077911 350908263 /nfs/dbraw/zinc/90/82/63/350908263.db2.gz FWVKIBXQPWGOKN-ZDUSSCGKSA-N 1 0 223.747 3.887 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000052092073 384710011 /nfs/dbraw/zinc/71/00/11/384710011.db2.gz DBAMDSJOHZBXNL-CQSZACIVSA-N 1 0 235.371 3.624 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000052092074 384710556 /nfs/dbraw/zinc/71/05/56/384710556.db2.gz DBAMDSJOHZBXNL-AWEZNQCLSA-N 1 0 235.371 3.624 20 0 BHADRO Cc1cc(C[NH+](C2CC2)C2CCC(C)CC2)no1 ZINC000052104040 350930066 /nfs/dbraw/zinc/93/00/66/350930066.db2.gz IDLZTMDPAZWZBY-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Cc1cc(C[N@H+](C2CC2)C2CCC(C)CC2)on1 ZINC000052104092 358773447 /nfs/dbraw/zinc/77/34/47/358773447.db2.gz HHCIKDTZFNWMIK-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000052106389 358772987 /nfs/dbraw/zinc/77/29/87/358772987.db2.gz ADRLJRCRFPQMHD-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO C[NH+](Cc1cccc2ccccc21)CC1CC1 ZINC000052106547 350929829 /nfs/dbraw/zinc/92/98/29/350929829.db2.gz AXDVZIMVSOCKLY-UHFFFAOYSA-N 1 0 225.335 3.682 20 0 BHADRO C[NH+](Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000052106602 350929845 /nfs/dbraw/zinc/92/98/45/350929845.db2.gz FYVGWGHIJKKQEY-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO c1sc([C@@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000052125998 183382110 /nfs/dbraw/zinc/38/21/10/183382110.db2.gz BHNZUXBVFLHHFU-LBPRGKRZSA-N 1 0 244.363 3.625 20 0 BHADRO c1sc([C@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000052125999 183381811 /nfs/dbraw/zinc/38/18/11/183381811.db2.gz BHNZUXBVFLHHFU-GFCCVEGCSA-N 1 0 244.363 3.625 20 0 BHADRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000052128323 323192637 /nfs/dbraw/zinc/19/26/37/323192637.db2.gz FSINBNKIVIMQDN-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162471 343455003 /nfs/dbraw/zinc/45/50/03/343455003.db2.gz HQFQLVQTLNVHFD-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162472 343455141 /nfs/dbraw/zinc/45/51/41/343455141.db2.gz HQFQLVQTLNVHFD-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052163223 350957809 /nfs/dbraw/zinc/95/78/09/350957809.db2.gz CPHMLVDZPAGKAA-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000052163224 350958434 /nfs/dbraw/zinc/95/84/34/350958434.db2.gz CPHMLVDZPAGKAA-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CCC[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000052177680 384720855 /nfs/dbraw/zinc/72/08/55/384720855.db2.gz LSTGVRVCEYPIFQ-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000052177682 384720768 /nfs/dbraw/zinc/72/07/68/384720768.db2.gz LSTGVRVCEYPIFQ-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO COc1ccccc1C[N@H+](CC=C(C)C)C1CC1 ZINC000052183448 350960512 /nfs/dbraw/zinc/96/05/12/350960512.db2.gz PVEOAVVVDGYPFE-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO CCc1ccccc1C[NH2+]C1CCCCC1 ZINC000052200003 322852675 /nfs/dbraw/zinc/85/26/75/322852675.db2.gz MKLCTRCHATVEHT-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO CCc1ccccc1C[NH2+]C(CC)CC ZINC000052200026 322852669 /nfs/dbraw/zinc/85/26/69/322852669.db2.gz NLWDMBNYGWIGQB-UHFFFAOYSA-N 1 0 205.345 3.527 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccccc1 ZINC000052200041 385704994 /nfs/dbraw/zinc/70/49/94/385704994.db2.gz CXKUDLATMSHOIA-UHFFFAOYSA-N 1 0 225.335 3.539 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1CC ZINC000052200066 322852673 /nfs/dbraw/zinc/85/26/73/322852673.db2.gz IOSSPEXWOPWFNE-GFCCVEGCSA-N 1 0 205.345 3.527 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1CC ZINC000052200069 322852544 /nfs/dbraw/zinc/85/25/44/322852544.db2.gz IOSSPEXWOPWFNE-LBPRGKRZSA-N 1 0 205.345 3.527 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000052200207 632099474 /nfs/dbraw/zinc/09/94/74/632099474.db2.gz JIZFEKIHYIRVCW-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccccc1F ZINC000052200223 632099896 /nfs/dbraw/zinc/09/98/96/632099896.db2.gz MHNHVFXNKZAPNX-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccc(C)cc1 ZINC000052200248 171882189 /nfs/dbraw/zinc/88/21/89/171882189.db2.gz VSTCMVXRHDJLFJ-UHFFFAOYSA-N 1 0 239.362 3.847 20 0 BHADRO CCc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000052200434 386990661 /nfs/dbraw/zinc/99/06/61/386990661.db2.gz LZKIWBIQHKIOTK-UHFFFAOYSA-N 1 0 229.367 3.527 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1cccc(C)c1 ZINC000052200451 384709901 /nfs/dbraw/zinc/70/99/01/384709901.db2.gz VYIFJBOQKFTEFU-UHFFFAOYSA-N 1 0 239.362 3.847 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1cccs1 ZINC000052200472 384723803 /nfs/dbraw/zinc/72/38/03/384723803.db2.gz PXBDNSBIHPCUBF-UHFFFAOYSA-N 1 0 231.364 3.600 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000052200692 171882831 /nfs/dbraw/zinc/88/28/31/171882831.db2.gz GCLPKBPGGXHQIB-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)c1ccco1 ZINC000052200951 384725358 /nfs/dbraw/zinc/72/53/58/384725358.db2.gz NEBKXMNNFYJTDF-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)c1ccco1 ZINC000052200952 384724059 /nfs/dbraw/zinc/72/40/59/384724059.db2.gz NEBKXMNNFYJTDF-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccccc1C ZINC000052202804 384710595 /nfs/dbraw/zinc/71/05/95/384710595.db2.gz ILEAZCVYDULGNT-UHFFFAOYSA-N 1 0 239.362 3.847 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccc(C)s1 ZINC000052203212 636671822 /nfs/dbraw/zinc/67/18/22/636671822.db2.gz BSOHJUYTZPMTSS-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO Clc1cccc(C[NH2+]C2CCC2)c1Cl ZINC000052206656 134385174 /nfs/dbraw/zinc/38/51/74/134385174.db2.gz CLXCGJNSUANFJL-UHFFFAOYSA-N 1 0 230.138 3.636 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CCC2)c2ccccc21 ZINC000052206663 167940674 /nfs/dbraw/zinc/94/06/74/167940674.db2.gz UBTUXQGTAAKXCN-HNNXBMFYSA-N 1 0 229.367 3.941 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CCC2)c2ccccc21 ZINC000052206666 358776565 /nfs/dbraw/zinc/77/65/65/358776565.db2.gz UBTUXQGTAAKXCN-OAHLLOKOSA-N 1 0 229.367 3.941 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C2CCC2)cc1 ZINC000052206727 322852542 /nfs/dbraw/zinc/85/25/42/322852542.db2.gz VBKBBEXBDYYPBH-UHFFFAOYSA-N 1 0 217.356 3.626 20 0 BHADRO Clc1ccc(C[NH2+]C2CCC2)cc1Cl ZINC000052206789 134699467 /nfs/dbraw/zinc/69/94/67/134699467.db2.gz UXPVUUPBCOTHNO-UHFFFAOYSA-N 1 0 230.138 3.636 20 0 BHADRO c1ccc(-c2ccc(C[NH2+]C3CCC3)cc2)cc1 ZINC000052206824 322852477 /nfs/dbraw/zinc/85/24/77/322852477.db2.gz NPUNTZNSPGQFMQ-UHFFFAOYSA-N 1 0 237.346 3.996 20 0 BHADRO CC(C)(C)C1CCC([NH2+]C2CCC2)CC1 ZINC000052206874 322852618 /nfs/dbraw/zinc/85/26/18/322852618.db2.gz VJYVVFQOFIICSF-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccccc1C(F)(F)F ZINC000052207024 322852468 /nfs/dbraw/zinc/85/24/68/322852468.db2.gz YKLUWVXDBCMBTP-VIFPVBQESA-N 1 0 243.272 3.909 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccccc1C(F)(F)F ZINC000052207027 384710153 /nfs/dbraw/zinc/71/01/53/384710153.db2.gz YKLUWVXDBCMBTP-SECBINFHSA-N 1 0 243.272 3.909 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000052207106 169320761 /nfs/dbraw/zinc/32/07/61/169320761.db2.gz OCAATNFJHMFPEV-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000052207109 169321273 /nfs/dbraw/zinc/32/12/73/169321273.db2.gz OCAATNFJHMFPEV-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000052207137 322852464 /nfs/dbraw/zinc/85/24/64/322852464.db2.gz UVRJRLAAVBYFBH-GFCCVEGCSA-N 1 0 217.356 3.842 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000052207139 384709708 /nfs/dbraw/zinc/70/97/08/384709708.db2.gz UVRJRLAAVBYFBH-LBPRGKRZSA-N 1 0 217.356 3.842 20 0 BHADRO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC1 ZINC000052207161 358776595 /nfs/dbraw/zinc/77/65/95/358776595.db2.gz NHXMFVJXERQXME-HNNXBMFYSA-N 1 0 215.340 3.596 20 0 BHADRO c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC1 ZINC000052207164 358776060 /nfs/dbraw/zinc/77/60/60/358776060.db2.gz NHXMFVJXERQXME-OAHLLOKOSA-N 1 0 215.340 3.596 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CCC1 ZINC000052207197 183440919 /nfs/dbraw/zinc/44/09/19/183440919.db2.gz XXRNAUUUDMFEFG-UHFFFAOYSA-N 1 0 235.330 3.899 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC2)cc1C ZINC000052207357 322852470 /nfs/dbraw/zinc/85/24/70/322852470.db2.gz BMZCFGPLPJQYRB-GFCCVEGCSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC2)cc1C ZINC000052207360 322852655 /nfs/dbraw/zinc/85/26/55/322852655.db2.gz BMZCFGPLPJQYRB-LBPRGKRZSA-N 1 0 203.329 3.507 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+]C1CCC1 ZINC000052207369 358776018 /nfs/dbraw/zinc/77/60/18/358776018.db2.gz WGOHYKNGFAWOEI-UHFFFAOYSA-N 1 0 230.138 3.636 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC2)cc1C ZINC000052207491 384709093 /nfs/dbraw/zinc/70/90/93/384709093.db2.gz JOCLKVAVKHEEHV-CYBMUJFWSA-N 1 0 217.356 3.815 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+]C2CCC2)cc1C ZINC000052207494 322852612 /nfs/dbraw/zinc/85/26/12/322852612.db2.gz JOCLKVAVKHEEHV-ZDUSSCGKSA-N 1 0 217.356 3.815 20 0 BHADRO Fc1ccc(-c2ccc(C[NH2+]C3CCC3)o2)cc1 ZINC000052207628 358776519 /nfs/dbraw/zinc/77/65/19/358776519.db2.gz LQRSWLPGIHCWLO-UHFFFAOYSA-N 1 0 245.297 3.728 20 0 BHADRO CCCCCOc1ccc(C[NH2+]C2CCC2)cc1 ZINC000052207663 384709471 /nfs/dbraw/zinc/70/94/71/384709471.db2.gz IJUZGMPZALTGQV-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCCCOc1ccc(C[NH2+]C2CCC2)cc1 ZINC000052207690 343030746 /nfs/dbraw/zinc/03/07/46/343030746.db2.gz DYXFOWNOIICXAT-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC(C)CCOc1ccc(C[NH2+]C2CCC2)cc1 ZINC000052207692 322852459 /nfs/dbraw/zinc/85/24/59/322852459.db2.gz RNPAAQGUZOZFFY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc2cc([C@H](C)[NH2+]C3CCC3)oc21 ZINC000052207742 358776483 /nfs/dbraw/zinc/77/64/83/358776483.db2.gz WXNDCHYSFSVTOG-JTQLQIEISA-N 1 0 245.322 3.645 20 0 BHADRO COc1cccc2cc([C@@H](C)[NH2+]C3CCC3)oc21 ZINC000052207745 358776181 /nfs/dbraw/zinc/77/61/81/358776181.db2.gz WXNDCHYSFSVTOG-SNVBAGLBSA-N 1 0 245.322 3.645 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(F)c(Cl)c1 ZINC000052207748 346291039 /nfs/dbraw/zinc/29/10/39/346291039.db2.gz FVIXIVFBJLRTJM-QMMMGPOBSA-N 1 0 227.710 3.682 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(F)c(Cl)c1 ZINC000052207751 346290408 /nfs/dbraw/zinc/29/04/08/346290408.db2.gz FVIXIVFBJLRTJM-MRVPVSSYSA-N 1 0 227.710 3.682 20 0 BHADRO CC(C)COc1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000052207758 188482154 /nfs/dbraw/zinc/48/21/54/188482154.db2.gz DXQAHSGPACNBMR-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)COc1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000052207761 384710814 /nfs/dbraw/zinc/71/08/14/384710814.db2.gz DXQAHSGPACNBMR-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]C2CCC2)cc1 ZINC000052207835 358776313 /nfs/dbraw/zinc/77/63/13/358776313.db2.gz UDOQBIODASRWCC-OAHLLOKOSA-N 1 0 217.356 3.842 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]C2CCC2)cc1 ZINC000052207837 358776358 /nfs/dbraw/zinc/77/63/58/358776358.db2.gz UDOQBIODASRWCC-HNNXBMFYSA-N 1 0 217.356 3.842 20 0 BHADRO Clc1ccccc1C1CC([NH2+]C2CCC2)C1 ZINC000052207974 358776631 /nfs/dbraw/zinc/77/66/31/358776631.db2.gz RUXUYMRCJSJEAT-UHFFFAOYSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1ccc(C2CC([NH2+]C3CCC3)C2)cc1 ZINC000052208015 384725512 /nfs/dbraw/zinc/72/55/12/384725512.db2.gz KURKVUHDNBGCIA-UHFFFAOYSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1cccc(C2CC([NH2+]C3CCC3)C2)c1 ZINC000052208027 358776486 /nfs/dbraw/zinc/77/64/86/358776486.db2.gz ZVPSUNITGQTWRS-UHFFFAOYSA-N 1 0 235.758 3.728 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C1CCC1 ZINC000052208059 134698944 /nfs/dbraw/zinc/69/89/44/134698944.db2.gz QUFWBSBOPQQNQB-UHFFFAOYSA-N 1 0 229.323 3.637 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCC1 ZINC000052208128 322852677 /nfs/dbraw/zinc/85/26/77/322852677.db2.gz NRZWALQSESMNFR-LLVKDONJSA-N 1 0 229.323 3.944 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCC1 ZINC000052208131 384709081 /nfs/dbraw/zinc/70/90/81/384709081.db2.gz NRZWALQSESMNFR-NSHDSACASA-N 1 0 229.323 3.944 20 0 BHADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC1 ZINC000052208227 384709066 /nfs/dbraw/zinc/70/90/66/384709066.db2.gz KJYSYZYPVJAHDD-ZDUSSCGKSA-N 1 0 231.383 3.885 20 0 BHADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC1 ZINC000052208230 322852481 /nfs/dbraw/zinc/85/24/81/322852481.db2.gz KJYSYZYPVJAHDD-CYBMUJFWSA-N 1 0 231.383 3.885 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CCC2)C2CC2)cc1 ZINC000052208238 322852539 /nfs/dbraw/zinc/85/25/39/322852539.db2.gz APRANEICONIQAO-HNNXBMFYSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CCC2)C2CC2)cc1 ZINC000052208241 322852620 /nfs/dbraw/zinc/85/26/20/322852620.db2.gz APRANEICONIQAO-OAHLLOKOSA-N 1 0 215.340 3.588 20 0 BHADRO Clc1ccc([C@H]([NH2+]C2CCC2)C2CC2)cc1 ZINC000052208313 322852461 /nfs/dbraw/zinc/85/24/61/322852461.db2.gz WUGWMEHAVAOQLB-CQSZACIVSA-N 1 0 235.758 3.933 20 0 BHADRO Clc1ccc([C@@H]([NH2+]C2CCC2)C2CC2)cc1 ZINC000052208316 322852490 /nfs/dbraw/zinc/85/24/90/322852490.db2.gz WUGWMEHAVAOQLB-AWEZNQCLSA-N 1 0 235.758 3.933 20 0 BHADRO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000052208336 384709691 /nfs/dbraw/zinc/70/96/91/384709691.db2.gz UCVWFHGUJZTFCS-HOTGVXAUSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000052208337 384710021 /nfs/dbraw/zinc/71/00/21/384710021.db2.gz UCVWFHGUJZTFCS-CVEARBPZSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000052208342 322852671 /nfs/dbraw/zinc/85/26/71/322852671.db2.gz UCVWFHGUJZTFCS-JKSUJKDBSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000052208345 322852540 /nfs/dbraw/zinc/85/25/40/322852540.db2.gz UCVWFHGUJZTFCS-HZPDHXFCSA-N 1 0 229.367 3.855 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(F)cc1Cl ZINC000052208347 346290487 /nfs/dbraw/zinc/29/04/87/346290487.db2.gz BYXNJETZIUSOOD-QMMMGPOBSA-N 1 0 227.710 3.682 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(F)cc1Cl ZINC000052208350 346290442 /nfs/dbraw/zinc/29/04/42/346290442.db2.gz BYXNJETZIUSOOD-MRVPVSSYSA-N 1 0 227.710 3.682 20 0 BHADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C1CCC1 ZINC000052208358 487572574 /nfs/dbraw/zinc/57/25/74/487572574.db2.gz QNWLAGXOFPPEEE-LBPRGKRZSA-N 1 0 237.343 3.505 20 0 BHADRO Fc1cccc2c1SCC[C@H]2[NH2+]C1CCC1 ZINC000052208361 487572437 /nfs/dbraw/zinc/57/24/37/487572437.db2.gz QNWLAGXOFPPEEE-GFCCVEGCSA-N 1 0 237.343 3.505 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+]C2CCC2)c1 ZINC000052208644 358776400 /nfs/dbraw/zinc/77/64/00/358776400.db2.gz MVPIRVCBZGNZLL-UHFFFAOYSA-N 1 0 230.138 3.636 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CCC2)s1 ZINC000052208760 385244471 /nfs/dbraw/zinc/24/44/71/385244471.db2.gz SBOPBCHUZVVOHS-SECBINFHSA-N 1 0 209.358 3.514 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CCC2)s1 ZINC000052208763 385245222 /nfs/dbraw/zinc/24/52/22/385245222.db2.gz SBOPBCHUZVVOHS-VIFPVBQESA-N 1 0 209.358 3.514 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052211465 350967587 /nfs/dbraw/zinc/96/75/87/350967587.db2.gz FSUXIXOQTSJKQS-ZDUSSCGKSA-N 1 0 223.747 3.887 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CCOC(C)C ZINC000052212267 350939262 /nfs/dbraw/zinc/93/92/62/350939262.db2.gz LBMRGKBNPSASRO-INIZCTEOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@H+]1CCOC(C)C ZINC000052212270 350939243 /nfs/dbraw/zinc/93/92/43/350939243.db2.gz LBMRGKBNPSASRO-MRXNPFEDSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000052213107 350967472 /nfs/dbraw/zinc/96/74/72/350967472.db2.gz KPIDEFZLSCXVPY-CQSZACIVSA-N 1 0 203.329 3.542 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000052213109 350968001 /nfs/dbraw/zinc/96/80/01/350968001.db2.gz KPIDEFZLSCXVPY-AWEZNQCLSA-N 1 0 203.329 3.542 20 0 BHADRO Cc1cc(C[N@H+](CC2CCCCC2)C2CC2)no1 ZINC000052245017 358777199 /nfs/dbraw/zinc/77/71/99/358777199.db2.gz NIWAKJQTIDPRDM-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@H+](CC2CCCCC2)C2CC2)on1 ZINC000052245054 350940477 /nfs/dbraw/zinc/94/04/77/350940477.db2.gz MHYWPDZDEZYMSJ-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO C[C@@H]1C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000052273200 384712632 /nfs/dbraw/zinc/71/26/32/384712632.db2.gz BUWQBDODDSRTSW-YGKZZAKBSA-N 1 0 235.758 3.584 20 0 BHADRO C[C@H]1C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000052273203 322853002 /nfs/dbraw/zinc/85/30/02/322853002.db2.gz BUWQBDODDSRTSW-WCDMZKEKSA-N 1 0 235.758 3.584 20 0 BHADRO C[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000052273205 384713875 /nfs/dbraw/zinc/71/38/75/384713875.db2.gz BUWQBDODDSRTSW-ZIOCXDFPSA-N 1 0 235.758 3.584 20 0 BHADRO C[C@H]1C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000052273207 322853021 /nfs/dbraw/zinc/85/30/21/322853021.db2.gz BUWQBDODDSRTSW-JSRZKYIESA-N 1 0 235.758 3.584 20 0 BHADRO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000052274078 384712380 /nfs/dbraw/zinc/71/23/80/384712380.db2.gz BRQCQEIHUXBURV-RISCZKNCSA-N 1 0 243.375 3.913 20 0 BHADRO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000052274080 177350207 /nfs/dbraw/zinc/35/02/07/177350207.db2.gz BRQCQEIHUXBURV-FZMZJTMJSA-N 1 0 243.375 3.913 20 0 BHADRO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000052274081 384713421 /nfs/dbraw/zinc/71/34/21/384713421.db2.gz BRQCQEIHUXBURV-BXUZGUMPSA-N 1 0 243.375 3.913 20 0 BHADRO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000052274083 177385783 /nfs/dbraw/zinc/38/57/83/177385783.db2.gz BRQCQEIHUXBURV-SMDDNHRTSA-N 1 0 243.375 3.913 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H](C)c2ccccc2)o1 ZINC000052329906 384713584 /nfs/dbraw/zinc/71/35/84/384713584.db2.gz ZYSBUZMLIVKGGO-CYBMUJFWSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)o1 ZINC000052329908 384712340 /nfs/dbraw/zinc/71/23/40/384712340.db2.gz ZYSBUZMLIVKGGO-ZDUSSCGKSA-N 1 0 243.350 3.871 20 0 BHADRO CC(C)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000052331567 167009939 /nfs/dbraw/zinc/00/99/39/167009939.db2.gz QTLVUXUAVRINON-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCCC2)o1 ZINC000052332554 384713267 /nfs/dbraw/zinc/71/32/67/384713267.db2.gz UNPYVBFBVDFLMK-LBPRGKRZSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCCC2)o1 ZINC000052332556 384713984 /nfs/dbraw/zinc/71/39/84/384713984.db2.gz UNPYVBFBVDFLMK-GFCCVEGCSA-N 1 0 221.344 3.646 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)C1CCCCC1 ZINC000052332572 322853331 /nfs/dbraw/zinc/85/33/31/322853331.db2.gz ZAJVYZURHZJFKD-NSHDSACASA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)C1CCCCC1 ZINC000052332573 384713281 /nfs/dbraw/zinc/71/32/81/384713281.db2.gz ZAJVYZURHZJFKD-LLVKDONJSA-N 1 0 223.385 3.807 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052332904 384707438 /nfs/dbraw/zinc/70/74/38/384707438.db2.gz FVJQWBBTZWROQE-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052332907 384705461 /nfs/dbraw/zinc/70/54/61/384705461.db2.gz FVJQWBBTZWROQE-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052332910 384707426 /nfs/dbraw/zinc/70/74/26/384707426.db2.gz FVJQWBBTZWROQE-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052332912 173945130 /nfs/dbraw/zinc/94/51/30/173945130.db2.gz FVJQWBBTZWROQE-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)o1)C1CCCCC1 ZINC000052333143 322852166 /nfs/dbraw/zinc/85/21/66/322852166.db2.gz GSKDCDVXFOPQAV-JTQLQIEISA-N 1 0 241.762 3.991 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CCCCC1 ZINC000052333145 322852172 /nfs/dbraw/zinc/85/21/72/322852172.db2.gz GSKDCDVXFOPQAV-SNVBAGLBSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H]([NH2+]C1Cc2ccccc2C1)C1CCCCC1 ZINC000052333179 322852252 /nfs/dbraw/zinc/85/22/52/322852252.db2.gz GFUSLKUMSRONPX-ZDUSSCGKSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H]([NH2+]C1Cc2ccccc2C1)C1CCCCC1 ZINC000052333181 322854407 /nfs/dbraw/zinc/85/44/07/322854407.db2.gz GFUSLKUMSRONPX-CYBMUJFWSA-N 1 0 243.394 3.712 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000052333971 386991908 /nfs/dbraw/zinc/99/19/08/386991908.db2.gz VGQPIXROOYYOOP-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000052333974 386990400 /nfs/dbraw/zinc/99/04/00/386990400.db2.gz VGQPIXROOYYOOP-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cn1 ZINC000052334453 172194283 /nfs/dbraw/zinc/19/42/83/172194283.db2.gz PZFXQHHQUYFJHG-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)cn1 ZINC000052334456 172197507 /nfs/dbraw/zinc/19/75/07/172197507.db2.gz PZFXQHHQUYFJHG-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)cn1 ZINC000052334459 172194186 /nfs/dbraw/zinc/19/41/86/172194186.db2.gz PZFXQHHQUYFJHG-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H](C)C2CCCCC2)cn1 ZINC000052334462 172197833 /nfs/dbraw/zinc/19/78/33/172197833.db2.gz PZFXQHHQUYFJHG-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000052334982 487870083 /nfs/dbraw/zinc/87/00/83/487870083.db2.gz ZHONKCAJGREZTI-INIZCTEOSA-N 1 0 247.382 3.841 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000052334985 487871179 /nfs/dbraw/zinc/87/11/79/487871179.db2.gz ZHONKCAJGREZTI-MRXNPFEDSA-N 1 0 247.382 3.841 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1)C1CCCCC1 ZINC000052335137 358779671 /nfs/dbraw/zinc/77/96/71/358779671.db2.gz AHXFXKIATDXNBZ-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1)C1CCCCC1 ZINC000052335140 358779916 /nfs/dbraw/zinc/77/99/16/358779916.db2.gz AHXFXKIATDXNBZ-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)C1CCCCC1 ZINC000052335148 384720269 /nfs/dbraw/zinc/72/02/69/384720269.db2.gz JYEQAJUJFMKWMF-AWEZNQCLSA-N 1 0 221.344 3.728 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)C1CCCCC1 ZINC000052335150 322854311 /nfs/dbraw/zinc/85/43/11/322854311.db2.gz JYEQAJUJFMKWMF-CQSZACIVSA-N 1 0 221.344 3.728 20 0 BHADRO CC[C@H]([NH2+]Cc1ccncc1)C1CCCCC1 ZINC000052335165 358156663 /nfs/dbraw/zinc/15/66/63/358156663.db2.gz IQSZPZSWGJZKQO-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccncc1)C1CCCCC1 ZINC000052335167 358156487 /nfs/dbraw/zinc/15/64/87/358156487.db2.gz IQSZPZSWGJZKQO-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)C1CCCCC1 ZINC000052335353 322854423 /nfs/dbraw/zinc/85/44/23/322854423.db2.gz AQGBTHYVKYHJPL-FZMZJTMJSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)C1CCCCC1 ZINC000052335355 322854539 /nfs/dbraw/zinc/85/45/39/322854539.db2.gz AQGBTHYVKYHJPL-SMDDNHRTSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)C1CCCCC1 ZINC000052335357 322854515 /nfs/dbraw/zinc/85/45/15/322854515.db2.gz AQGBTHYVKYHJPL-RISCZKNCSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)C1CCCCC1 ZINC000052335359 384721248 /nfs/dbraw/zinc/72/12/48/384721248.db2.gz AQGBTHYVKYHJPL-BXUZGUMPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000052335468 358156762 /nfs/dbraw/zinc/15/67/62/358156762.db2.gz GAPBIBWPPAEZJO-INIZCTEOSA-N 1 0 247.382 3.841 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000052335471 358156722 /nfs/dbraw/zinc/15/67/22/358156722.db2.gz GAPBIBWPPAEZJO-MRXNPFEDSA-N 1 0 247.382 3.841 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000052335494 171531663 /nfs/dbraw/zinc/53/16/63/171531663.db2.gz FXAKAMYSMVAHGU-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000052335497 170902953 /nfs/dbraw/zinc/90/29/53/170902953.db2.gz FXAKAMYSMVAHGU-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@H]([NH2+]CCCSC)C1CCCCC1 ZINC000052335623 322854629 /nfs/dbraw/zinc/85/46/29/322854629.db2.gz UJRBSODRYMCPAO-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)C1CCCCC1 ZINC000052335624 384721051 /nfs/dbraw/zinc/72/10/51/384721051.db2.gz UJRBSODRYMCPAO-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)C1CCCCC1 ZINC000052335747 487586719 /nfs/dbraw/zinc/58/67/19/487586719.db2.gz UQVCKVGREZSDHM-AWEZNQCLSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)C1CCCCC1 ZINC000052335750 487587656 /nfs/dbraw/zinc/58/76/56/487587656.db2.gz UQVCKVGREZSDHM-CQSZACIVSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CCCCC1 ZINC000052336064 632131235 /nfs/dbraw/zinc/13/12/35/632131235.db2.gz ARLIVDQXBMYVTH-GJZGRUSLSA-N 1 0 237.387 3.628 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CCCCC1 ZINC000052336066 632130601 /nfs/dbraw/zinc/13/06/01/632130601.db2.gz ARLIVDQXBMYVTH-LSDHHAIUSA-N 1 0 237.387 3.628 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)C1CCCCC1 ZINC000052336070 632131427 /nfs/dbraw/zinc/13/14/27/632131427.db2.gz ARLIVDQXBMYVTH-CABCVRRESA-N 1 0 237.387 3.628 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CCCCC1 ZINC000052336072 632130394 /nfs/dbraw/zinc/13/03/94/632130394.db2.gz ARLIVDQXBMYVTH-HUUCEWRRSA-N 1 0 237.387 3.628 20 0 BHADRO CC[C@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000052336112 384719881 /nfs/dbraw/zinc/71/98/81/384719881.db2.gz OTHGOHMXUQQNEI-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000052336115 343032770 /nfs/dbraw/zinc/03/27/70/343032770.db2.gz OTHGOHMXUQQNEI-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCC1 ZINC000052338525 384721217 /nfs/dbraw/zinc/72/12/17/384721217.db2.gz KUBAJIACAUIGFL-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCC1 ZINC000052338528 322854528 /nfs/dbraw/zinc/85/45/28/322854528.db2.gz KUBAJIACAUIGFL-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCO1)C1CCCCC1 ZINC000052338531 384721294 /nfs/dbraw/zinc/72/12/94/384721294.db2.gz KUBAJIACAUIGFL-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)C1CCCCC1 ZINC000052338533 322854638 /nfs/dbraw/zinc/85/46/38/322854638.db2.gz KUBAJIACAUIGFL-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCc1ccccn1)C1CCCCC1 ZINC000052338573 322854531 /nfs/dbraw/zinc/85/45/31/322854531.db2.gz QHBKQELEEZIOCO-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccccn1)C1CCCCC1 ZINC000052338576 384721071 /nfs/dbraw/zinc/72/10/71/384721071.db2.gz QHBKQELEEZIOCO-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]([NH2+]CCc1ccncc1)C1CCCCC1 ZINC000052339300 384720786 /nfs/dbraw/zinc/72/07/86/384720786.db2.gz CSQQPIZESWRIBL-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccncc1)C1CCCCC1 ZINC000052339304 384719571 /nfs/dbraw/zinc/71/95/71/384719571.db2.gz CSQQPIZESWRIBL-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H](Nc1cc(C)ncn1)C1CCCCC1 ZINC000052341131 387470138 /nfs/dbraw/zinc/47/01/38/387470138.db2.gz RPUNIAVDFUYKEE-ZDUSSCGKSA-N 1 0 233.359 3.556 20 0 BHADRO CC[C@@H](Nc1cc(C)ncn1)C1CCCCC1 ZINC000052341133 358156789 /nfs/dbraw/zinc/15/67/89/358156789.db2.gz RPUNIAVDFUYKEE-CYBMUJFWSA-N 1 0 233.359 3.556 20 0 BHADRO CC[C@H](Nc1ccccn1)C1CCCCC1 ZINC000052341165 358156669 /nfs/dbraw/zinc/15/66/69/358156669.db2.gz VUBHAWVSVYFWQJ-ZDUSSCGKSA-N 1 0 218.344 3.852 20 0 BHADRO CC[C@@H](Nc1ccccn1)C1CCCCC1 ZINC000052341167 358156765 /nfs/dbraw/zinc/15/67/65/358156765.db2.gz VUBHAWVSVYFWQJ-CYBMUJFWSA-N 1 0 218.344 3.852 20 0 BHADRO CC[C@H](Nc1cc(C)nc(C)n1)C1CCCCC1 ZINC000052341249 358156874 /nfs/dbraw/zinc/15/68/74/358156874.db2.gz WZKIQPLSSIDAKS-AWEZNQCLSA-N 1 0 247.386 3.864 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)Cc2ccoc2)c1 ZINC000052442642 358782764 /nfs/dbraw/zinc/78/27/64/358782764.db2.gz XLUDRZRXMIIGKC-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Fc1cccc([C@@H]2CCC[N@@H+]2C/C=C/Cl)c1 ZINC000052455248 711619616 /nfs/dbraw/zinc/61/96/16/711619616.db2.gz UKSFRUAYYFHPRQ-MXPWBENCSA-N 1 0 239.721 3.715 20 0 BHADRO Fc1cccc([C@H]2CCC[N@@H+]2C/C=C/Cl)c1 ZINC000052455250 711619476 /nfs/dbraw/zinc/61/94/76/711619476.db2.gz UKSFRUAYYFHPRQ-LPZVBRGNSA-N 1 0 239.721 3.715 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455807 323193325 /nfs/dbraw/zinc/19/33/25/323193325.db2.gz ZXWNWVLGPGKWEA-CQSZACIVSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455810 323193391 /nfs/dbraw/zinc/19/33/91/323193391.db2.gz ZXWNWVLGPGKWEA-AWEZNQCLSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)[NH2+]CCCCCOC1CCCCC1 ZINC000052600318 384722926 /nfs/dbraw/zinc/72/29/26/384722926.db2.gz WQIPRTMYMPVNJE-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC(C)C[NH2+]CCCCCOC1CCCCC1 ZINC000052600324 322854419 /nfs/dbraw/zinc/85/44/19/322854419.db2.gz YKLDSHMCWBCNHZ-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)C[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000052629603 167010844 /nfs/dbraw/zinc/01/08/44/167010844.db2.gz XYIOVFPXHQYEGA-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO CC(C)[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653306 167113193 /nfs/dbraw/zinc/11/31/93/167113193.db2.gz OLFYSBRFSRXLIF-ZDUSSCGKSA-N 1 0 235.371 3.575 20 0 BHADRO CC(C)[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000052653308 167110907 /nfs/dbraw/zinc/11/09/07/167110907.db2.gz OLFYSBRFSRXLIF-CYBMUJFWSA-N 1 0 235.371 3.575 20 0 BHADRO CC(C)(C)[NH2+]CCCCCOc1ccccc1 ZINC000052668343 322854974 /nfs/dbraw/zinc/85/49/74/322854974.db2.gz SDIXBVZSHBVEJP-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1F ZINC000052684771 178031764 /nfs/dbraw/zinc/03/17/64/178031764.db2.gz BHJCCJYFIZGFRV-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1F ZINC000052684772 178038534 /nfs/dbraw/zinc/03/85/34/178038534.db2.gz BHJCCJYFIZGFRV-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000052706173 351067090 /nfs/dbraw/zinc/06/70/90/351067090.db2.gz LASDPUPZVSSADJ-ZDUSSCGKSA-N 1 0 235.371 3.734 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1cccc(OC)c1 ZINC000052706176 351066825 /nfs/dbraw/zinc/06/68/25/351066825.db2.gz LASDPUPZVSSADJ-CYBMUJFWSA-N 1 0 235.371 3.734 20 0 BHADRO Clc1ncccc1C[NH+]1CCCCCCC1 ZINC000052709114 711633271 /nfs/dbraw/zinc/63/32/71/711633271.db2.gz FZAAYWUCYSBRJK-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO CC(C)C[N@H+](Cc1cccnc1Cl)C(C)C ZINC000052716741 632882238 /nfs/dbraw/zinc/88/22/38/632882238.db2.gz OTKAJEGXHKSDEF-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccnc1Cl)C(C)(C)C ZINC000052717005 632465790 /nfs/dbraw/zinc/46/57/90/632465790.db2.gz GMCOMDVEIHYCMS-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccnc1Cl)C(C)(C)C ZINC000052717008 632465936 /nfs/dbraw/zinc/46/59/36/632465936.db2.gz GMCOMDVEIHYCMS-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000052804356 487935448 /nfs/dbraw/zinc/93/54/48/487935448.db2.gz RBHAOVHKQDCRQW-NEPJUHHUSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000052804358 487935375 /nfs/dbraw/zinc/93/53/75/487935375.db2.gz RBHAOVHKQDCRQW-RYUDHWBXSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000052804607 487935695 /nfs/dbraw/zinc/93/56/95/487935695.db2.gz MPNIVTHBEMLUKK-LBPRGKRZSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000052804609 487935767 /nfs/dbraw/zinc/93/57/67/487935767.db2.gz MPNIVTHBEMLUKK-GFCCVEGCSA-N 1 0 221.319 3.619 20 0 BHADRO CCCC[NH+](CCCC)Cc1c(C)noc1C ZINC000052870322 323195712 /nfs/dbraw/zinc/19/57/12/323195712.db2.gz VGXDKXACPWTLJF-UHFFFAOYSA-N 1 0 238.375 3.694 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000052886471 346388299 /nfs/dbraw/zinc/38/82/99/346388299.db2.gz KVTGRJMMYNBINX-NSHDSACASA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000052886472 346388120 /nfs/dbraw/zinc/38/81/20/346388120.db2.gz KVTGRJMMYNBINX-LLVKDONJSA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000052886517 346388194 /nfs/dbraw/zinc/38/81/94/346388194.db2.gz FTJKCXWBILGVDC-NSHDSACASA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000052886518 346388086 /nfs/dbraw/zinc/38/80/86/346388086.db2.gz FTJKCXWBILGVDC-LLVKDONJSA-N 1 0 203.329 3.625 20 0 BHADRO CC[NH2+]Cc1cccc(-c2ccccc2F)c1 ZINC000052887783 488019204 /nfs/dbraw/zinc/01/92/04/488019204.db2.gz WYIMRNJRBWEKGE-UHFFFAOYSA-N 1 0 229.298 3.602 20 0 BHADRO CC(C)[NH2+]Cc1cccc(-c2ccccc2F)c1 ZINC000052887785 358236361 /nfs/dbraw/zinc/23/63/61/358236361.db2.gz BTTLIAKZDSYRCZ-UHFFFAOYSA-N 1 0 243.325 3.991 20 0 BHADRO Fc1ccccc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000052887786 181009493 /nfs/dbraw/zinc/00/94/93/181009493.db2.gz NGMWCFHAJLDDQZ-UHFFFAOYSA-N 1 0 241.309 3.745 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000052889686 323195767 /nfs/dbraw/zinc/19/57/67/323195767.db2.gz MLCPPSJDAVUEQS-UHFFFAOYSA-N 1 0 248.326 3.557 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052892509 487945770 /nfs/dbraw/zinc/94/57/70/487945770.db2.gz XMBFFNHTWFBELW-UHFFFAOYSA-N 1 0 229.776 3.800 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000052896915 487947032 /nfs/dbraw/zinc/94/70/32/487947032.db2.gz HDHRVKROSBDJKK-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO CCC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000052898002 487947255 /nfs/dbraw/zinc/94/72/55/487947255.db2.gz RFROQZPGBMXZDC-CYBMUJFWSA-N 1 0 209.308 3.522 20 0 BHADRO CCC[NH2+][C@H](c1ccccc1F)C(C)C ZINC000052898004 487947261 /nfs/dbraw/zinc/94/72/61/487947261.db2.gz RFROQZPGBMXZDC-ZDUSSCGKSA-N 1 0 209.308 3.522 20 0 BHADRO CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000052898144 322853270 /nfs/dbraw/zinc/85/32/70/322853270.db2.gz QBUBVMPNPQVCFS-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000052898146 322853219 /nfs/dbraw/zinc/85/32/19/322853219.db2.gz QBUBVMPNPQVCFS-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCc2ccccc2)o1 ZINC000052922145 487952874 /nfs/dbraw/zinc/95/28/74/487952874.db2.gz KYORHJVDAKRINI-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO C[N@H+](CCCc1ccccc1)Cc1cccs1 ZINC000052922370 487952395 /nfs/dbraw/zinc/95/23/95/487952395.db2.gz UCEBHGLRPJELRZ-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000052924317 384718262 /nfs/dbraw/zinc/71/82/62/384718262.db2.gz DUGBPQIHQSUBON-NSHDSACASA-N 1 0 215.296 3.617 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000052924318 384718169 /nfs/dbraw/zinc/71/81/69/384718169.db2.gz DUGBPQIHQSUBON-LLVKDONJSA-N 1 0 215.296 3.617 20 0 BHADRO CCC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000052949121 322853220 /nfs/dbraw/zinc/85/32/20/322853220.db2.gz XBLCPBJVFQMCIS-UHFFFAOYSA-N 1 0 246.181 3.926 20 0 BHADRO CC(C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000052949247 384717049 /nfs/dbraw/zinc/71/70/49/384717049.db2.gz SDJPPHCROVPYJH-UHFFFAOYSA-N 1 0 246.181 3.924 20 0 BHADRO CC(C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000052949248 322853340 /nfs/dbraw/zinc/85/33/40/322853340.db2.gz VEZNVNUAZBIPST-UHFFFAOYSA-N 1 0 245.288 3.636 20 0 BHADRO CC(C)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000052949257 384718119 /nfs/dbraw/zinc/71/81/19/384718119.db2.gz HCNBLRGAPODHQK-UHFFFAOYSA-N 1 0 246.181 3.924 20 0 BHADRO CC(C)(C)[NH2+]CCCc1c(F)cccc1Cl ZINC000052949544 384715297 /nfs/dbraw/zinc/71/52/97/384715297.db2.gz NGTZZYXKVSWGIB-UHFFFAOYSA-N 1 0 243.753 3.800 20 0 BHADRO CC(C)C[NH2+]CCCCCc1ccccc1 ZINC000052949635 322853264 /nfs/dbraw/zinc/85/32/64/322853264.db2.gz UTMAYTYRDKIKDG-UHFFFAOYSA-N 1 0 219.372 3.645 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2CCCCC2)c1 ZINC000052982914 322853258 /nfs/dbraw/zinc/85/32/58/322853258.db2.gz BUSUEPOPTYWTDY-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2CCCCCC2)c1 ZINC000052982916 178673258 /nfs/dbraw/zinc/67/32/58/178673258.db2.gz SGAVFZNVBDDHHM-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccsc2)o1 ZINC000053036038 488093341 /nfs/dbraw/zinc/09/33/41/488093341.db2.gz KSWAIGMJQXMJFX-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccsc2)o1 ZINC000053036041 488093261 /nfs/dbraw/zinc/09/32/61/488093261.db2.gz KSWAIGMJQXMJFX-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(c3ccccc3)C2)o1 ZINC000053036353 358805852 /nfs/dbraw/zinc/80/58/52/358805852.db2.gz UFMPGYCPDLWHAP-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000053036551 179183181 /nfs/dbraw/zinc/18/31/81/179183181.db2.gz GBFYJKDQBKLUED-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000053036553 179196977 /nfs/dbraw/zinc/19/69/77/179196977.db2.gz GBFYJKDQBKLUED-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)o2)s1 ZINC000053036781 711648366 /nfs/dbraw/zinc/64/83/66/711648366.db2.gz TWJVMIXUVLQPIO-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)sc2C)o1 ZINC000053037016 387510856 /nfs/dbraw/zinc/51/08/56/387510856.db2.gz QPCMCRYGGGGSNI-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000053088716 353605444 /nfs/dbraw/zinc/60/54/44/353605444.db2.gz HJPCNCIGAWQECH-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000053088718 353605575 /nfs/dbraw/zinc/60/55/75/353605575.db2.gz HJPCNCIGAWQECH-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053096110 353814681 /nfs/dbraw/zinc/81/46/81/353814681.db2.gz BYOYRNVRQJVPBH-GFCCVEGCSA-N 1 0 221.369 3.851 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053096112 353814839 /nfs/dbraw/zinc/81/48/39/353814839.db2.gz BYOYRNVRQJVPBH-LBPRGKRZSA-N 1 0 221.369 3.851 20 0 BHADRO C[N@H+](CCCc1ccccc1)Cc1ccsc1 ZINC000053134417 358102622 /nfs/dbraw/zinc/10/26/22/358102622.db2.gz JAPKYIOYUPIDCA-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cccc(Cl)c2)o1 ZINC000053148202 323196868 /nfs/dbraw/zinc/19/68/68/323196868.db2.gz ZZUBWROJYSHBAG-UHFFFAOYSA-N 1 0 249.741 3.785 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149279 170708252 /nfs/dbraw/zinc/70/82/52/170708252.db2.gz IJZLTHKABAHGLZ-SECBINFHSA-N 1 0 229.726 3.615 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149282 171285897 /nfs/dbraw/zinc/28/58/97/171285897.db2.gz IJZLTHKABAHGLZ-VIFPVBQESA-N 1 0 229.726 3.615 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1(C)CC1 ZINC000053149329 358812805 /nfs/dbraw/zinc/81/28/05/358812805.db2.gz JUAMSYKHJIRFNX-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1(C)CC1 ZINC000053149331 358812750 /nfs/dbraw/zinc/81/27/50/358812750.db2.gz JUAMSYKHJIRFNX-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Fc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000053149430 180968808 /nfs/dbraw/zinc/96/88/08/180968808.db2.gz JIWOLRYTYOBLAH-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149481 384766774 /nfs/dbraw/zinc/76/67/74/384766774.db2.gz ONYPJQYRSOXUKC-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149758 384765828 /nfs/dbraw/zinc/76/58/28/384765828.db2.gz ZURFTQAWIAVFCG-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149798 343032043 /nfs/dbraw/zinc/03/20/43/343032043.db2.gz UXHCBQFETFWUJP-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053150108 167382219 /nfs/dbraw/zinc/38/22/19/167382219.db2.gz IYEHVTHCIMSDNE-SECBINFHSA-N 1 0 229.726 3.613 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053150111 384767253 /nfs/dbraw/zinc/76/72/53/384767253.db2.gz IYEHVTHCIMSDNE-VIFPVBQESA-N 1 0 229.726 3.613 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccccc1 ZINC000053150559 355837935 /nfs/dbraw/zinc/83/79/35/355837935.db2.gz YVJIFNCBRVVUOD-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccccc1 ZINC000053150561 358106276 /nfs/dbraw/zinc/10/62/76/358106276.db2.gz YVJIFNCBRVVUOD-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150796 488006280 /nfs/dbraw/zinc/00/62/80/488006280.db2.gz VLEHZVOZOSZULS-LLVKDONJSA-N 1 0 221.369 3.633 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150798 488005738 /nfs/dbraw/zinc/00/57/38/488005738.db2.gz VLEHZVOZOSZULS-NSHDSACASA-N 1 0 221.369 3.633 20 0 BHADRO Fc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000053155355 384766048 /nfs/dbraw/zinc/76/60/48/384766048.db2.gz VSPITWHXLMVZFS-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053155448 166861408 /nfs/dbraw/zinc/86/14/08/166861408.db2.gz HPACHPLMTXCYIK-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO Fc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000053155562 343032036 /nfs/dbraw/zinc/03/20/36/343032036.db2.gz OTDSOKHYAAYOMB-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053155586 169370355 /nfs/dbraw/zinc/37/03/55/169370355.db2.gz GQMDCICDKVSRAK-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053155589 384767611 /nfs/dbraw/zinc/76/76/11/384767611.db2.gz GQMDCICDKVSRAK-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000053174144 384715587 /nfs/dbraw/zinc/71/55/87/384715587.db2.gz KLGFNXDOWQRQGB-BBRMVZONSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000053174145 384716178 /nfs/dbraw/zinc/71/61/78/384716178.db2.gz KLGFNXDOWQRQGB-XJKSGUPXSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000053174146 384716581 /nfs/dbraw/zinc/71/65/81/384716581.db2.gz KLGFNXDOWQRQGB-CJNGLKHVSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000053174147 168401266 /nfs/dbraw/zinc/40/12/66/168401266.db2.gz KLGFNXDOWQRQGB-CZUORRHYSA-N 1 0 249.398 3.788 20 0 BHADRO CC[NH2+]Cc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000053294275 170130532 /nfs/dbraw/zinc/13/05/32/170130532.db2.gz NSHRJMNBGMUAAH-UHFFFAOYSA-N 1 0 246.379 3.536 20 0 BHADRO CC[NH2+]Cc1nc(-c2ccc(C)cc2C)cs1 ZINC000053294362 170130111 /nfs/dbraw/zinc/13/01/11/170130111.db2.gz NCOODGCMTBHOII-UHFFFAOYSA-N 1 0 246.379 3.536 20 0 BHADRO CC[NH2+]Cc1nc(-c2cc(C)ccc2C)cs1 ZINC000053294415 170130457 /nfs/dbraw/zinc/13/04/57/170130457.db2.gz MNIBSDIMOGBBLQ-UHFFFAOYSA-N 1 0 246.379 3.536 20 0 BHADRO Cc1sc(C[NH2+]C(C)C)nc1-c1ccccc1 ZINC000053295454 358820945 /nfs/dbraw/zinc/82/09/45/358820945.db2.gz XQKKWKCTFGNJOD-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000053302137 343032467 /nfs/dbraw/zinc/03/24/67/343032467.db2.gz WPULMHJLLUQOLF-UHFFFAOYSA-N 1 0 219.372 3.526 20 0 BHADRO CC(C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000053302270 167109911 /nfs/dbraw/zinc/10/99/11/167109911.db2.gz RNDOOKVBXPPHQZ-UHFFFAOYSA-N 1 0 219.372 3.525 20 0 BHADRO CC(C)(C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000053302551 409949510 /nfs/dbraw/zinc/94/95/10/409949510.db2.gz MWGHHCBEEORXJM-UHFFFAOYSA-N 1 0 245.288 3.636 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C(C)(C)C)cc1 ZINC000053302617 384303775 /nfs/dbraw/zinc/30/37/75/384303775.db2.gz MNZDZEATVIVFTC-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc2cccnc21 ZINC000053365290 356701452 /nfs/dbraw/zinc/70/14/52/356701452.db2.gz HDWDQLZYRCHXDX-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000053428374 491083049 /nfs/dbraw/zinc/08/30/49/491083049.db2.gz RSQSAULTYDFHKC-LBPRGKRZSA-N 1 0 231.364 3.941 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000053428378 488060807 /nfs/dbraw/zinc/06/08/07/488060807.db2.gz RSQSAULTYDFHKC-GFCCVEGCSA-N 1 0 231.364 3.941 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000053429459 348562211 /nfs/dbraw/zinc/56/22/11/348562211.db2.gz WEITWXHAFGEPBC-NSHDSACASA-N 1 0 209.358 3.707 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)c1cccs1 ZINC000053429463 348562126 /nfs/dbraw/zinc/56/21/26/348562126.db2.gz WEITWXHAFGEPBC-LLVKDONJSA-N 1 0 209.358 3.707 20 0 BHADRO CSc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000053435271 344464771 /nfs/dbraw/zinc/46/47/71/344464771.db2.gz ZGBZYDLCTVTIHX-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)C1CCCC1 ZINC000053435430 363287775 /nfs/dbraw/zinc/28/77/75/363287775.db2.gz BYEQMHMTZYONGE-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)C1CCCC1 ZINC000053435487 384859865 /nfs/dbraw/zinc/85/98/65/384859865.db2.gz HJUZFDUMICYVIN-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000053435529 344465463 /nfs/dbraw/zinc/46/54/63/344465463.db2.gz RYXSXNXJCDSPTF-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CC1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000053543245 488107319 /nfs/dbraw/zinc/10/73/19/488107319.db2.gz SHVJEITYTZFKDW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000053543253 322853879 /nfs/dbraw/zinc/85/38/79/322853879.db2.gz YNNOAXDTUUTHMB-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000053543255 322853908 /nfs/dbraw/zinc/85/39/08/322853908.db2.gz YNNOAXDTUUTHMB-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000053543257 322853851 /nfs/dbraw/zinc/85/38/51/322853851.db2.gz YNNOAXDTUUTHMB-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000053543259 322853804 /nfs/dbraw/zinc/85/38/04/322853804.db2.gz YNNOAXDTUUTHMB-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C(COC1CCCCC1)[NH2+]CC1CCCCC1 ZINC000053543358 384794068 /nfs/dbraw/zinc/79/40/68/384794068.db2.gz YXRSRRJHUACJOH-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000053543369 176143176 /nfs/dbraw/zinc/14/31/76/176143176.db2.gz WQYYKBAIGADTLG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000053543371 177137051 /nfs/dbraw/zinc/13/70/51/177137051.db2.gz WQYYKBAIGADTLG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000053543372 176123636 /nfs/dbraw/zinc/12/36/36/176123636.db2.gz WQYYKBAIGADTLG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000053543374 177122817 /nfs/dbraw/zinc/12/28/17/177122817.db2.gz WQYYKBAIGADTLG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000053543604 634236495 /nfs/dbraw/zinc/23/64/95/634236495.db2.gz XWOWCEJSKHYDQS-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCOC1CCCC1 ZINC000053543605 634235935 /nfs/dbraw/zinc/23/59/35/634235935.db2.gz XWOWCEJSKHYDQS-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000053543729 384717972 /nfs/dbraw/zinc/71/79/72/384717972.db2.gz JEXFOEAXRXOTDO-OAHLLOKOSA-N 1 0 249.398 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000053543730 322853774 /nfs/dbraw/zinc/85/37/74/322853774.db2.gz JEXFOEAXRXOTDO-HNNXBMFYSA-N 1 0 249.398 3.618 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000053543738 634236081 /nfs/dbraw/zinc/23/60/81/634236081.db2.gz QFACQEVIQNQLDL-OAHLLOKOSA-N 1 0 249.398 3.762 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000053543739 634235537 /nfs/dbraw/zinc/23/55/37/634235537.db2.gz QFACQEVIQNQLDL-HNNXBMFYSA-N 1 0 249.398 3.762 20 0 BHADRO c1ccc(COCC[NH2+]C2CCCCCC2)cc1 ZINC000053543749 384717085 /nfs/dbraw/zinc/71/70/85/384717085.db2.gz HQEIRYFIWXPMJG-UHFFFAOYSA-N 1 0 247.382 3.516 20 0 BHADRO CC[C@@H](C)[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000053564723 384714925 /nfs/dbraw/zinc/71/49/25/384714925.db2.gz SDBJPNGQODSJQM-CYBMUJFWSA-N 1 0 235.371 3.577 20 0 BHADRO CC[C@H](C)[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000053564725 322854104 /nfs/dbraw/zinc/85/41/04/322854104.db2.gz SDBJPNGQODSJQM-ZDUSSCGKSA-N 1 0 235.371 3.577 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@@H](C)C2CC2)cc1 ZINC000053564828 384715387 /nfs/dbraw/zinc/71/53/87/384715387.db2.gz VUURTJLLIKYJBA-ZDUSSCGKSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@H](C)C2CC2)cc1 ZINC000053564830 384717354 /nfs/dbraw/zinc/71/73/54/384717354.db2.gz VUURTJLLIKYJBA-CYBMUJFWSA-N 1 0 247.382 3.577 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000053566639 322854214 /nfs/dbraw/zinc/85/42/14/322854214.db2.gz VLLRHDSUNGFKHQ-CYBMUJFWSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000053566640 322854094 /nfs/dbraw/zinc/85/40/94/322854094.db2.gz VLLRHDSUNGFKHQ-ZDUSSCGKSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000053566651 322854121 /nfs/dbraw/zinc/85/41/21/322854121.db2.gz KPAIFHUXTZUFLQ-ZIAGYGMSSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000053566652 384719925 /nfs/dbraw/zinc/71/99/25/384719925.db2.gz KPAIFHUXTZUFLQ-UONOGXRCSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000053566653 384719511 /nfs/dbraw/zinc/71/95/11/384719511.db2.gz KPAIFHUXTZUFLQ-KGLIPLIRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000053566654 384720208 /nfs/dbraw/zinc/72/02/08/384720208.db2.gz KPAIFHUXTZUFLQ-KBPBESRZSA-N 1 0 235.371 3.541 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+]C2CCCCC2)c1 ZINC000053566670 384719930 /nfs/dbraw/zinc/71/99/30/384719930.db2.gz JVEHOBNKCBVXIY-AWEZNQCLSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+]C2CCCCC2)c1 ZINC000053566671 322854173 /nfs/dbraw/zinc/85/41/73/322854173.db2.gz JVEHOBNKCBVXIY-CQSZACIVSA-N 1 0 247.382 3.685 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000053566686 168388533 /nfs/dbraw/zinc/38/85/33/168388533.db2.gz PHWPZIXEHZSLCW-CYBMUJFWSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)Oc1ccccc1C ZINC000053566687 168388359 /nfs/dbraw/zinc/38/83/59/168388359.db2.gz PHWPZIXEHZSLCW-ZDUSSCGKSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000053566698 322854084 /nfs/dbraw/zinc/85/40/84/322854084.db2.gz AQHWBKJPTFEUSD-ZIAGYGMSSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000053566699 384719964 /nfs/dbraw/zinc/71/99/64/384719964.db2.gz AQHWBKJPTFEUSD-UONOGXRCSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1C ZINC000053566700 322854092 /nfs/dbraw/zinc/85/40/92/322854092.db2.gz AQHWBKJPTFEUSD-KGLIPLIRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1C ZINC000053566701 384720941 /nfs/dbraw/zinc/72/09/41/384720941.db2.gz AQHWBKJPTFEUSD-KBPBESRZSA-N 1 0 235.371 3.541 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+]C1CCCCC1 ZINC000053566724 179312361 /nfs/dbraw/zinc/31/23/61/179312361.db2.gz VBKLDOPLKYEQGX-AWEZNQCLSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+]C1CCCCC1 ZINC000053566725 179314071 /nfs/dbraw/zinc/31/40/71/179314071.db2.gz VBKLDOPLKYEQGX-CQSZACIVSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H](C)[NH2+]CCOc1ccccc1C(C)C ZINC000053567526 384719309 /nfs/dbraw/zinc/71/93/09/384719309.db2.gz YVWNIDJJKHMUFD-CYBMUJFWSA-N 1 0 235.371 3.577 20 0 BHADRO CC[C@H](C)[NH2+]CCOc1ccccc1C(C)C ZINC000053567527 384719354 /nfs/dbraw/zinc/71/93/54/384719354.db2.gz YVWNIDJJKHMUFD-ZDUSSCGKSA-N 1 0 235.371 3.577 20 0 BHADRO CCC(CC)[NH2+]CCOc1ccccc1C(C)C ZINC000053567566 384720586 /nfs/dbraw/zinc/72/05/86/384720586.db2.gz DTCCXYLSXBRUTQ-UHFFFAOYSA-N 1 0 249.398 3.967 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)C(C)C ZINC000053567605 322854098 /nfs/dbraw/zinc/85/40/98/322854098.db2.gz CJIRLKPCNJPBBX-AWEZNQCLSA-N 1 0 249.398 3.823 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@H](C)C(C)C ZINC000053567606 322854029 /nfs/dbraw/zinc/85/40/29/322854029.db2.gz CJIRLKPCNJPBBX-CQSZACIVSA-N 1 0 249.398 3.823 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)C1CC1 ZINC000053567612 167643565 /nfs/dbraw/zinc/64/35/65/167643565.db2.gz YAHVFRZRKWFPOZ-ZDUSSCGKSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@H](C)C1CC1 ZINC000053567613 634247746 /nfs/dbraw/zinc/24/77/46/634247746.db2.gz YAHVFRZRKWFPOZ-CYBMUJFWSA-N 1 0 247.382 3.577 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000053568110 384720649 /nfs/dbraw/zinc/72/06/49/384720649.db2.gz OWKMGUSPMDBQBU-CYBMUJFWSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000053568111 384720949 /nfs/dbraw/zinc/72/09/49/384720949.db2.gz OWKMGUSPMDBQBU-ZDUSSCGKSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000053568122 169370080 /nfs/dbraw/zinc/37/00/80/169370080.db2.gz FBKIRFZNCZQQJS-ZIAGYGMSSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000053568123 384720380 /nfs/dbraw/zinc/72/03/80/384720380.db2.gz FBKIRFZNCZQQJS-UONOGXRCSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000053568124 169369757 /nfs/dbraw/zinc/36/97/57/169369757.db2.gz FBKIRFZNCZQQJS-KGLIPLIRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000053568125 384720392 /nfs/dbraw/zinc/72/03/92/384720392.db2.gz FBKIRFZNCZQQJS-KBPBESRZSA-N 1 0 235.371 3.541 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+]C2CCCCC2)cc1 ZINC000053568142 384719278 /nfs/dbraw/zinc/71/92/78/384719278.db2.gz LVKANRIIILGNCA-AWEZNQCLSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+]C2CCCCC2)cc1 ZINC000053568143 178818487 /nfs/dbraw/zinc/81/84/87/178818487.db2.gz LVKANRIIILGNCA-CQSZACIVSA-N 1 0 247.382 3.685 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@@H](C)c1cccs1 ZINC000053568748 384796382 /nfs/dbraw/zinc/79/63/82/384796382.db2.gz RVCRYGINVSRCFO-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@H](C)c1cccs1 ZINC000053568749 322854308 /nfs/dbraw/zinc/85/43/08/322854308.db2.gz RVCRYGINVSRCFO-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO CCC(C)(C)OCC[NH2+]C1CCCCCC1 ZINC000053568773 384720857 /nfs/dbraw/zinc/72/08/57/384720857.db2.gz NQMGXRCKFDQELG-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]CCOC1CCCCCC1 ZINC000053590630 322854363 /nfs/dbraw/zinc/85/43/63/322854363.db2.gz KORUDAIKOKVNCJ-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@H](C)[NH2+]CCOC1CCCCCC1 ZINC000053590631 384719918 /nfs/dbraw/zinc/71/99/18/384719918.db2.gz KORUDAIKOKVNCJ-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CCC(CC)[NH2+]CCOC1CCCCCC1 ZINC000053590634 384719224 /nfs/dbraw/zinc/71/92/24/384719224.db2.gz BWRFRMRUCXHQQN-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO c1ccc(C[NH2+]CCOC2CCCCCC2)cc1 ZINC000053590641 384721257 /nfs/dbraw/zinc/72/12/57/384721257.db2.gz JATAQOJTFFBXOO-UHFFFAOYSA-N 1 0 247.382 3.516 20 0 BHADRO C(COC1CCCCCC1)[NH2+]C1CCCCC1 ZINC000053590707 384720303 /nfs/dbraw/zinc/72/03/03/384720303.db2.gz AADVRCYGHAKGSO-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592760 384720194 /nfs/dbraw/zinc/72/01/94/384720194.db2.gz VUNASPUNSDJNKQ-VXGBXAGGSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592762 322854295 /nfs/dbraw/zinc/85/42/95/322854295.db2.gz VUNASPUNSDJNKQ-NWDGAFQWSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000053592764 322854304 /nfs/dbraw/zinc/85/43/04/322854304.db2.gz VUNASPUNSDJNKQ-NEPJUHHUSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000053592767 384719975 /nfs/dbraw/zinc/71/99/75/384719975.db2.gz VUNASPUNSDJNKQ-RYUDHWBXSA-N 1 0 223.385 3.555 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592769 384720759 /nfs/dbraw/zinc/72/07/59/384720759.db2.gz VQCKVGVMLQODET-GFCCVEGCSA-N 1 0 237.412 3.945 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000053592770 384720934 /nfs/dbraw/zinc/72/09/34/384720934.db2.gz VQCKVGVMLQODET-LBPRGKRZSA-N 1 0 237.412 3.945 20 0 BHADRO CC(C)CC[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592789 322854296 /nfs/dbraw/zinc/85/42/96/322854296.db2.gz SIEOAVZHDCMXIG-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592792 384719801 /nfs/dbraw/zinc/71/98/01/384719801.db2.gz VSEYZRXKTVHUPR-CHWSQXEVSA-N 1 0 237.412 3.945 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000053592795 384720538 /nfs/dbraw/zinc/72/05/38/384720538.db2.gz VSEYZRXKTVHUPR-QWHCGFSZSA-N 1 0 237.412 3.945 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000053592796 384720156 /nfs/dbraw/zinc/72/01/56/384720156.db2.gz VSEYZRXKTVHUPR-OLZOCXBDSA-N 1 0 237.412 3.945 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000053592798 384720091 /nfs/dbraw/zinc/72/00/91/384720091.db2.gz VSEYZRXKTVHUPR-STQMWFEESA-N 1 0 237.412 3.945 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccco1)Sc1ccccc1 ZINC000053592832 384797320 /nfs/dbraw/zinc/79/73/20/384797320.db2.gz WPFKDUGZPJOHIN-LBPRGKRZSA-N 1 0 247.363 3.550 20 0 BHADRO C[C@H](C[NH2+]Cc1ccco1)Sc1ccccc1 ZINC000053592834 384796626 /nfs/dbraw/zinc/79/66/26/384796626.db2.gz WPFKDUGZPJOHIN-GFCCVEGCSA-N 1 0 247.363 3.550 20 0 BHADRO C[C@@H](C[NH2+]C1CCCC1)Sc1ccccc1 ZINC000053592839 634258025 /nfs/dbraw/zinc/25/80/25/634258025.db2.gz RYHSOELEUVGOIM-LBPRGKRZSA-N 1 0 235.396 3.699 20 0 BHADRO C[C@H](C[NH2+]C1CCCC1)Sc1ccccc1 ZINC000053592841 176679674 /nfs/dbraw/zinc/67/96/74/176679674.db2.gz RYHSOELEUVGOIM-GFCCVEGCSA-N 1 0 235.396 3.699 20 0 BHADRO CCC(CC)[NH2+]CCSCc1ccccc1 ZINC000053592972 634258770 /nfs/dbraw/zinc/25/87/70/634258770.db2.gz NSRUYJMDMZFNAB-UHFFFAOYSA-N 1 0 237.412 3.698 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000053593062 384721223 /nfs/dbraw/zinc/72/12/23/384721223.db2.gz DFWVZUJIMCPYSI-CYBMUJFWSA-N 1 0 237.412 3.554 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000053593063 384720837 /nfs/dbraw/zinc/72/08/37/384720837.db2.gz DFWVZUJIMCPYSI-ZDUSSCGKSA-N 1 0 237.412 3.554 20 0 BHADRO CCC(C)(C)[NH2+]CCSCc1ccccc1 ZINC000053593081 322854294 /nfs/dbraw/zinc/85/42/94/322854294.db2.gz FPLTVBTUUWSZHQ-UHFFFAOYSA-N 1 0 237.412 3.698 20 0 BHADRO CC1CCC([NH2+]CCSC(C)(C)C)CC1 ZINC000053616559 634272253 /nfs/dbraw/zinc/27/22/53/634272253.db2.gz PHWCPCSBLKQKJZ-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000053616577 634272070 /nfs/dbraw/zinc/27/20/70/634272070.db2.gz MECYLAOVRBLRDL-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000053616580 634271912 /nfs/dbraw/zinc/27/19/12/634271912.db2.gz MECYLAOVRBLRDL-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000053616583 634271542 /nfs/dbraw/zinc/27/15/42/634271542.db2.gz MECYLAOVRBLRDL-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000053616585 633840859 /nfs/dbraw/zinc/84/08/59/633840859.db2.gz MECYLAOVRBLRDL-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+]CC1CCCCC1 ZINC000053616664 633840265 /nfs/dbraw/zinc/84/02/65/633840265.db2.gz HOLCKDYRIJIYIA-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCSC(C)(C)C)C1 ZINC000053616683 634271918 /nfs/dbraw/zinc/27/19/18/634271918.db2.gz RGAKNLIUKNMXSW-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCSC(C)(C)C)C1 ZINC000053616687 634271894 /nfs/dbraw/zinc/27/18/94/634271894.db2.gz RGAKNLIUKNMXSW-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCSC(C)(C)C)C1 ZINC000053616689 634271929 /nfs/dbraw/zinc/27/19/29/634271929.db2.gz RGAKNLIUKNMXSW-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCSC(C)(C)C)C1 ZINC000053616692 634272595 /nfs/dbraw/zinc/27/25/95/634272595.db2.gz RGAKNLIUKNMXSW-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[NH2+]CCSC(C)(C)C ZINC000053616717 633840659 /nfs/dbraw/zinc/84/06/59/633840659.db2.gz ZHSZBBCSZSICBR-UHFFFAOYSA-N 1 0 217.422 3.544 20 0 BHADRO Cc1ccsc1C[NH2+]CCSC(C)(C)C ZINC000053616720 634272271 /nfs/dbraw/zinc/27/22/71/634272271.db2.gz PPWFKESEFFVPNV-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO CC(C)(C)CC[NH2+]CCSC(C)(C)C ZINC000053616726 633840320 /nfs/dbraw/zinc/84/03/20/633840320.db2.gz AZPAIPYKIJMQTP-UHFFFAOYSA-N 1 0 217.422 3.544 20 0 BHADRO Cc1ccc(C[NH2+]CCSC(C)(C)C)s1 ZINC000053616731 634272131 /nfs/dbraw/zinc/27/21/31/634272131.db2.gz IYAUTIMANYYUOZ-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)c1cccs1 ZINC000053616762 176851475 /nfs/dbraw/zinc/85/14/75/176851475.db2.gz JUVABOSNLHSQQC-JTQLQIEISA-N 1 0 243.441 3.930 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)c1cccs1 ZINC000053616764 175882387 /nfs/dbraw/zinc/88/23/87/175882387.db2.gz JUVABOSNLHSQQC-SNVBAGLBSA-N 1 0 243.441 3.930 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCSC(C)(C)C ZINC000053616773 634272085 /nfs/dbraw/zinc/27/20/85/634272085.db2.gz PRQMHRYMDZRQEL-GFCCVEGCSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCSC(C)(C)C ZINC000053616775 634272884 /nfs/dbraw/zinc/27/28/84/634272884.db2.gz PRQMHRYMDZRQEL-LBPRGKRZSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)(C)SCC[NH2+]C1CCCCCC1 ZINC000053616830 634271556 /nfs/dbraw/zinc/27/15/56/634271556.db2.gz KLCGSPONXLZNIX-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CC(C)CSCC[NH2+]C1CCC(C)CC1 ZINC000053618668 134744875 /nfs/dbraw/zinc/74/48/75/134744875.db2.gz MCFQPEYJQPFSGK-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCCC[C@H]1C ZINC000053618687 384720616 /nfs/dbraw/zinc/72/06/16/384720616.db2.gz QGOYCAXYJNAIFQ-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000053618690 384721092 /nfs/dbraw/zinc/72/10/92/384721092.db2.gz QGOYCAXYJNAIFQ-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000053618692 384721099 /nfs/dbraw/zinc/72/10/99/384721099.db2.gz QGOYCAXYJNAIFQ-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053618697 323081713 /nfs/dbraw/zinc/08/17/13/323081713.db2.gz QGOYCAXYJNAIFQ-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000053618960 322854408 /nfs/dbraw/zinc/85/44/08/322854408.db2.gz WRHHQITZOCYNJO-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000053618964 384720731 /nfs/dbraw/zinc/72/07/31/384720731.db2.gz WRHHQITZOCYNJO-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000053618967 322854406 /nfs/dbraw/zinc/85/44/06/322854406.db2.gz WRHHQITZOCYNJO-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053618971 323081717 /nfs/dbraw/zinc/08/17/17/323081717.db2.gz WRHHQITZOCYNJO-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO Cc1ccsc1C[NH2+]CCSCC(C)C ZINC000053619021 346949376 /nfs/dbraw/zinc/94/93/76/346949376.db2.gz JPKAXWFQONHPMV-UHFFFAOYSA-N 1 0 243.441 3.535 20 0 BHADRO Cc1ccc(C[NH2+]CCSCC(C)C)s1 ZINC000053619039 346949749 /nfs/dbraw/zinc/94/97/49/346949749.db2.gz SOGXCQQXCVMMBW-UHFFFAOYSA-N 1 0 243.441 3.535 20 0 BHADRO CC(C)CSCCC[NH2+]C1CCCCC1 ZINC000053619146 384719319 /nfs/dbraw/zinc/71/93/19/384719319.db2.gz IRAVHRABTGRAAA-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)CSCC[NH2+][C@@H](C)c1cccs1 ZINC000053619165 384720258 /nfs/dbraw/zinc/72/02/58/384720258.db2.gz JECXMJLOQCIZHR-NSHDSACASA-N 1 0 243.441 3.788 20 0 BHADRO CC(C)CSCC[NH2+][C@H](C)c1cccs1 ZINC000053619168 384720483 /nfs/dbraw/zinc/72/04/83/384720483.db2.gz JECXMJLOQCIZHR-LLVKDONJSA-N 1 0 243.441 3.788 20 0 BHADRO CC(C)CSCC[NH2+]C1CCCCCC1 ZINC000053619237 384720439 /nfs/dbraw/zinc/72/04/39/384720439.db2.gz PTEUMBPIUQCTQJ-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccc(Cl)s1 ZINC000053623209 346950340 /nfs/dbraw/zinc/95/03/40/346950340.db2.gz WALPSBXJYNSQFJ-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)c1cccs1 ZINC000053623249 167331996 /nfs/dbraw/zinc/33/19/96/167331996.db2.gz SRKUPRGVARJWSW-JTQLQIEISA-N 1 0 229.414 3.540 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)c1cccs1 ZINC000053623250 167332742 /nfs/dbraw/zinc/33/27/42/167332742.db2.gz SRKUPRGVARJWSW-SNVBAGLBSA-N 1 0 229.414 3.540 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCSC(C)C ZINC000053623253 384720102 /nfs/dbraw/zinc/72/01/02/384720102.db2.gz WACVVJUZPKJAOF-GFCCVEGCSA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCSC(C)C ZINC000053623254 384720872 /nfs/dbraw/zinc/72/08/72/384720872.db2.gz WACVVJUZPKJAOF-LBPRGKRZSA-N 1 0 217.422 3.542 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCSC(C)C ZINC000053623262 634274569 /nfs/dbraw/zinc/27/45/69/634274569.db2.gz UXWUDSHORJQUME-GFCCVEGCSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCSC(C)C ZINC000053623263 634273512 /nfs/dbraw/zinc/27/35/12/634273512.db2.gz UXWUDSHORJQUME-LBPRGKRZSA-N 1 0 217.422 3.686 20 0 BHADRO C([NH2+]C1CCCCC1)C1CCCCCC1 ZINC000053714495 488021416 /nfs/dbraw/zinc/02/14/16/488021416.db2.gz ZUZQLLHPDHFVBA-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO c1csc(C[NH2+]CC2CCCCCC2)c1 ZINC000053714503 322854404 /nfs/dbraw/zinc/85/44/04/322854404.db2.gz AFIGSEQNMQKJRH-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO c1ccc(C[NH2+]CC2CCCCCC2)cc1 ZINC000053714507 357158141 /nfs/dbraw/zinc/15/81/41/357158141.db2.gz LLKWLTURPVXTFQ-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO CCC(CC)(C[NH2+]C(C)C)c1ccccc1 ZINC000053737655 384719787 /nfs/dbraw/zinc/71/97/87/384719787.db2.gz CTNSBPVZSICVLN-UHFFFAOYSA-N 1 0 219.372 3.742 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000053737876 167100527 /nfs/dbraw/zinc/10/05/27/167100527.db2.gz VJFVJIJOUSKFLX-UHFFFAOYSA-N 1 0 225.763 3.616 20 0 BHADRO CC(C)C[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000053737905 384719428 /nfs/dbraw/zinc/71/94/28/384719428.db2.gz XSOLXSMDYBIYJO-UHFFFAOYSA-N 1 0 237.774 3.617 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]CC(C)C ZINC000053738083 384720216 /nfs/dbraw/zinc/72/02/16/384720216.db2.gz DTCJXUPDBIQJPX-UHFFFAOYSA-N 1 0 219.372 3.518 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000053738133 167100654 /nfs/dbraw/zinc/10/06/54/167100654.db2.gz BIFUHAIYGMFPRE-UHFFFAOYSA-N 1 0 225.763 3.616 20 0 BHADRO CC(C)C[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000053738155 384719402 /nfs/dbraw/zinc/71/94/02/384719402.db2.gz UULDCUJWJABAQB-UHFFFAOYSA-N 1 0 237.774 3.617 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000053738215 322854301 /nfs/dbraw/zinc/85/43/01/322854301.db2.gz QRFXAEZOVYQFGN-UHFFFAOYSA-N 1 0 243.753 3.755 20 0 BHADRO CC(C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000053738334 322933982 /nfs/dbraw/zinc/93/39/82/322933982.db2.gz OQUPTYBXNPEZJS-UHFFFAOYSA-N 1 0 237.774 3.760 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000053738336 167098987 /nfs/dbraw/zinc/09/89/87/167098987.db2.gz FNCLBPFXBWYGBW-UHFFFAOYSA-N 1 0 225.763 3.616 20 0 BHADRO CC(C)C[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000053738357 384720899 /nfs/dbraw/zinc/72/08/99/384720899.db2.gz PGXKMCZSQCMFBK-UHFFFAOYSA-N 1 0 237.774 3.617 20 0 BHADRO CC(C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000053738399 322854310 /nfs/dbraw/zinc/85/43/10/322854310.db2.gz FZNQLQINOZFBDG-UHFFFAOYSA-N 1 0 235.346 3.636 20 0 BHADRO COc1ccccc1C1(C[NH2+]C(C)C)CCCC1 ZINC000053738754 175320482 /nfs/dbraw/zinc/32/04/82/175320482.db2.gz FOBODTPRLFYNSS-UHFFFAOYSA-N 1 0 247.382 3.505 20 0 BHADRO CC(C)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000053738968 384720714 /nfs/dbraw/zinc/72/07/14/384720714.db2.gz IJLOABXNZKNVAB-UHFFFAOYSA-N 1 0 237.412 3.948 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CC(C)C)cc1 ZINC000053739424 322854303 /nfs/dbraw/zinc/85/43/03/322854303.db2.gz UAYZDCICPPFHSP-UHFFFAOYSA-N 1 0 219.372 3.518 20 0 BHADRO Cc1cccc(C2(C[NH2+]C(C)C)CCCC2)c1 ZINC000053739472 384721158 /nfs/dbraw/zinc/72/11/58/384721158.db2.gz ZAHFZPJXHUQTRP-UHFFFAOYSA-N 1 0 231.383 3.805 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]CC(C)C)c1 ZINC000053739498 384720602 /nfs/dbraw/zinc/72/06/02/384720602.db2.gz AGNIKYSNYWQWMH-UHFFFAOYSA-N 1 0 219.372 3.518 20 0 BHADRO COc1cccc(C2(C[NH2+]C(C)C)CCCC2)c1 ZINC000053739550 175247920 /nfs/dbraw/zinc/24/79/20/175247920.db2.gz AVIKOBTZAPFBPR-UHFFFAOYSA-N 1 0 247.382 3.505 20 0 BHADRO CC(C)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000053906582 363556251 /nfs/dbraw/zinc/55/62/51/363556251.db2.gz LSQUQZQFASVRDE-UHFFFAOYSA-N 1 0 249.379 3.999 20 0 BHADRO CC(C)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000053906613 487656817 /nfs/dbraw/zinc/65/68/17/487656817.db2.gz MVZSVUBKRNQXCC-UHFFFAOYSA-N 1 0 233.311 3.531 20 0 BHADRO O=C(CC[NH+]1CCCCCCC1)c1ccccc1 ZINC000053931573 643663794 /nfs/dbraw/zinc/66/37/94/643663794.db2.gz UCGDZIQXEDYYQI-UHFFFAOYSA-N 1 0 245.366 3.526 20 0 BHADRO CC[N@H+](CCC(=O)c1ccccc1)C1CCCC1 ZINC000053931638 384728207 /nfs/dbraw/zinc/72/82/07/384728207.db2.gz VGATXWUQMXSQKY-UHFFFAOYSA-N 1 0 245.366 3.524 20 0 BHADRO C[C@H]([N@H+](C)CCC(=O)c1ccccc1)C(C)(C)C ZINC000053931734 348795666 /nfs/dbraw/zinc/79/56/66/348795666.db2.gz QMBLTQLRVNLCFQ-ZDUSSCGKSA-N 1 0 247.382 3.626 20 0 BHADRO C[C@@H]([N@H+](C)CCC(=O)c1ccccc1)C(C)(C)C ZINC000053931737 348795366 /nfs/dbraw/zinc/79/53/66/348795366.db2.gz QMBLTQLRVNLCFQ-CYBMUJFWSA-N 1 0 247.382 3.626 20 0 BHADRO CCC[NH+](CCC)CCC(=O)c1ccc(C)cc1 ZINC000053934896 322854876 /nfs/dbraw/zinc/85/48/76/322854876.db2.gz KXXKZQWHRFFRPX-UHFFFAOYSA-N 1 0 247.382 3.690 20 0 BHADRO CCCC[N@H+](CC)CCC(=O)c1ccc(C)cc1 ZINC000053934930 384726256 /nfs/dbraw/zinc/72/62/56/384726256.db2.gz URPWVUDCZVIPBP-UHFFFAOYSA-N 1 0 247.382 3.690 20 0 BHADRO CC[N@H+](CCC(=O)c1ccc(C)cc1)CC(C)C ZINC000053935078 384726110 /nfs/dbraw/zinc/72/61/10/384726110.db2.gz FGAYKRNEDSWRSP-UHFFFAOYSA-N 1 0 247.382 3.546 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000053935211 384725590 /nfs/dbraw/zinc/72/55/90/384725590.db2.gz ASEQXVLFZGHPNK-CYBMUJFWSA-N 1 0 247.382 3.546 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000053935213 384728190 /nfs/dbraw/zinc/72/81/90/384728190.db2.gz ASEQXVLFZGHPNK-ZDUSSCGKSA-N 1 0 247.382 3.546 20 0 BHADRO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000053935386 384727817 /nfs/dbraw/zinc/72/78/17/384727817.db2.gz YLMPOHWULSCVBT-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000053935389 384727710 /nfs/dbraw/zinc/72/77/10/384727710.db2.gz YLMPOHWULSCVBT-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000053935473 384726212 /nfs/dbraw/zinc/72/62/12/384726212.db2.gz AGAPJMXKMSUBJG-CQSZACIVSA-N 1 0 247.382 3.688 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000053935474 384727733 /nfs/dbraw/zinc/72/77/33/384727733.db2.gz AGAPJMXKMSUBJG-AWEZNQCLSA-N 1 0 247.382 3.688 20 0 BHADRO Cc1ccc(C(=O)CC[N@@H+](C)CC(C)(C)C)cc1 ZINC000053936381 384726130 /nfs/dbraw/zinc/72/61/30/384726130.db2.gz HKKCOJCYUJUVLI-UHFFFAOYSA-N 1 0 247.382 3.546 20 0 BHADRO Cc1ccc(C(=O)CC[N@@H+](C)CCC(C)C)cc1 ZINC000053936533 487666689 /nfs/dbraw/zinc/66/66/89/487666689.db2.gz GIJBDNJNEFFUMJ-UHFFFAOYSA-N 1 0 247.382 3.546 20 0 BHADRO CC[N@H+](CCC(=O)C(C)(C)C)C1CCCCC1 ZINC000054026271 635329672 /nfs/dbraw/zinc/32/96/72/635329672.db2.gz JDKLOTZEQAOJQH-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO CC[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1 ZINC000054026381 635329609 /nfs/dbraw/zinc/32/96/09/635329609.db2.gz GOQFZKOBAASJKL-UHFFFAOYSA-N 1 0 247.382 3.514 20 0 BHADRO C[N@H+](CCC(=O)C(C)(C)C)C1CCCCCC1 ZINC000054026484 635328580 /nfs/dbraw/zinc/32/85/80/635328580.db2.gz WRPTZWRLAQMYLS-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(=O)C(C)(C)C)C1 ZINC000054026578 635326227 /nfs/dbraw/zinc/32/62/27/635326227.db2.gz RJVJAVRSZSSCPN-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCC(=O)C(C)(C)C)C1 ZINC000054026580 635329315 /nfs/dbraw/zinc/32/93/15/635329315.db2.gz RJVJAVRSZSSCPN-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(=O)C(C)(C)C)C1 ZINC000054026581 635327556 /nfs/dbraw/zinc/32/75/56/635327556.db2.gz RJVJAVRSZSSCPN-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(=O)C(C)(C)C)C1 ZINC000054026583 635328555 /nfs/dbraw/zinc/32/85/55/635328555.db2.gz RJVJAVRSZSSCPN-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1CCC([N@H+](C)CCC(=O)C(C)(C)C)CC1 ZINC000054026726 635328593 /nfs/dbraw/zinc/32/85/93/635328593.db2.gz GSCSWJCPOPRAAN-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO C[N@H+](CCC(=O)C(C)(C)C)CC1CCCCC1 ZINC000054026741 635329241 /nfs/dbraw/zinc/32/92/41/635329241.db2.gz UTQGIWUIRHHBIR-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000054077241 388614152 /nfs/dbraw/zinc/61/41/52/388614152.db2.gz NJDSVKSZAXISGC-STQMWFEESA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000054077242 259521204 /nfs/dbraw/zinc/52/12/04/259521204.db2.gz NJDSVKSZAXISGC-OLZOCXBDSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC000054077243 259521403 /nfs/dbraw/zinc/52/14/03/259521403.db2.gz NJDSVKSZAXISGC-QWHCGFSZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000054077244 388613670 /nfs/dbraw/zinc/61/36/70/388613670.db2.gz NJDSVKSZAXISGC-CHWSQXEVSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(F)cc1)C1CCCC1 ZINC000054077306 322855315 /nfs/dbraw/zinc/85/53/15/322855315.db2.gz RDOHAAYRECCKSC-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(F)cc1)C1CCCC1 ZINC000054077307 384729901 /nfs/dbraw/zinc/72/99/01/384729901.db2.gz RDOHAAYRECCKSC-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1F)C1CCCC1 ZINC000054077358 384731708 /nfs/dbraw/zinc/73/17/08/384731708.db2.gz MWGSCAGQOGIWBR-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1F)C1CCCC1 ZINC000054077359 175884322 /nfs/dbraw/zinc/88/43/22/175884322.db2.gz MWGSCAGQOGIWBR-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000054077414 384730537 /nfs/dbraw/zinc/73/05/37/384730537.db2.gz VTRUWVGZQVNNAL-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000054077416 384730629 /nfs/dbraw/zinc/73/06/29/384730629.db2.gz VTRUWVGZQVNNAL-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)C1CCCC1 ZINC000054077555 384731151 /nfs/dbraw/zinc/73/11/51/384731151.db2.gz YPKGKQLEZSPGMN-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)C1CCCC1 ZINC000054077556 322855629 /nfs/dbraw/zinc/85/56/29/322855629.db2.gz YPKGKQLEZSPGMN-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1)C1CCCC1 ZINC000054077557 322855561 /nfs/dbraw/zinc/85/55/61/322855561.db2.gz AWWCCDPZSRCNAP-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1)C1CCCC1 ZINC000054077558 384731212 /nfs/dbraw/zinc/73/12/12/384731212.db2.gz AWWCCDPZSRCNAP-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000054077669 384730810 /nfs/dbraw/zinc/73/08/10/384730810.db2.gz FOUFUWOKWKKOHH-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000054077670 384730268 /nfs/dbraw/zinc/73/02/68/384730268.db2.gz FOUFUWOKWKKOHH-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000054077671 384731737 /nfs/dbraw/zinc/73/17/37/384731737.db2.gz FOUFUWOKWKKOHH-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1CCCC1 ZINC000054077672 384730259 /nfs/dbraw/zinc/73/02/59/384730259.db2.gz FOUFUWOKWKKOHH-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO [NH3+]C1(c2nc(C3CCCC3)cs2)CCCC1 ZINC000054077684 181335243 /nfs/dbraw/zinc/33/52/43/181335243.db2.gz ONALMOKNICDKOO-UHFFFAOYSA-N 1 0 236.384 3.529 20 0 BHADRO c1sc([C@@H]2CCCC[NH2+]2)nc1C1CCCC1 ZINC000054077718 487737290 /nfs/dbraw/zinc/73/72/90/487737290.db2.gz PYESSIIJYHIODX-NSHDSACASA-N 1 0 236.384 3.615 20 0 BHADRO c1sc([C@H]2CCCC[NH2+]2)nc1C1CCCC1 ZINC000054077719 488210007 /nfs/dbraw/zinc/21/00/07/488210007.db2.gz PYESSIIJYHIODX-LLVKDONJSA-N 1 0 236.384 3.615 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C1CCCC1 ZINC000054077729 348880889 /nfs/dbraw/zinc/88/08/89/348880889.db2.gz OEJKGXLYKFNSQQ-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)C1CCCC1 ZINC000054077730 348880622 /nfs/dbraw/zinc/88/06/22/348880622.db2.gz OEJKGXLYKFNSQQ-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C1CCCC1 ZINC000054077731 488210078 /nfs/dbraw/zinc/21/00/78/488210078.db2.gz OEJKGXLYKFNSQQ-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)C1CCCC1 ZINC000054077732 488209543 /nfs/dbraw/zinc/20/95/43/488209543.db2.gz OEJKGXLYKFNSQQ-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccs1 ZINC000054077775 322855418 /nfs/dbraw/zinc/85/54/18/322855418.db2.gz TYFVUNFCSBHBTC-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccs1 ZINC000054077776 384730637 /nfs/dbraw/zinc/73/06/37/384730637.db2.gz TYFVUNFCSBHBTC-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)C1CCCC1 ZINC000054077777 322855381 /nfs/dbraw/zinc/85/53/81/322855381.db2.gz TYFVUNFCSBHBTC-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccs1 ZINC000054077778 322855429 /nfs/dbraw/zinc/85/54/29/322855429.db2.gz TYFVUNFCSBHBTC-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2occc21)C1CCCC1 ZINC000054077941 176898268 /nfs/dbraw/zinc/89/82/68/176898268.db2.gz MVVCIJFCJWXWRY-SMDDNHRTSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)C1CCCC1 ZINC000054077944 387823566 /nfs/dbraw/zinc/82/35/66/387823566.db2.gz MVVCIJFCJWXWRY-BXUZGUMPSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2occc21)C1CCCC1 ZINC000054077946 387822620 /nfs/dbraw/zinc/82/26/20/387822620.db2.gz MVVCIJFCJWXWRY-FZMZJTMJSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2occc21)C1CCCC1 ZINC000054077947 387822716 /nfs/dbraw/zinc/82/27/16/387822716.db2.gz MVVCIJFCJWXWRY-RISCZKNCSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000054078116 322855570 /nfs/dbraw/zinc/85/55/70/322855570.db2.gz JLZLVUPOHPFHSC-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000054078121 384730073 /nfs/dbraw/zinc/73/00/73/384730073.db2.gz JLZLVUPOHPFHSC-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccco1 ZINC000054078241 385454581 /nfs/dbraw/zinc/45/45/81/385454581.db2.gz SZSNBOUDGPDUKQ-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccco1 ZINC000054078243 518178355 /nfs/dbraw/zinc/17/83/55/518178355.db2.gz SZSNBOUDGPDUKQ-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccco1)C1CCCC1 ZINC000054078246 385455521 /nfs/dbraw/zinc/45/55/21/385455521.db2.gz SZSNBOUDGPDUKQ-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccco1 ZINC000054078248 175919814 /nfs/dbraw/zinc/91/98/14/175919814.db2.gz SZSNBOUDGPDUKQ-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(F)c1)C1CCCC1 ZINC000054078305 384731611 /nfs/dbraw/zinc/73/16/11/384731611.db2.gz OYKPWZDALUKRHZ-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(F)c1)C1CCCC1 ZINC000054078307 175884901 /nfs/dbraw/zinc/88/49/01/175884901.db2.gz OYKPWZDALUKRHZ-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)o1 ZINC000054078884 384730946 /nfs/dbraw/zinc/73/09/46/384730946.db2.gz MRHAUMGDZITNEP-NWDGAFQWSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)o1 ZINC000054078886 322855431 /nfs/dbraw/zinc/85/54/31/322855431.db2.gz MRHAUMGDZITNEP-RYUDHWBXSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)o1 ZINC000054078887 384731281 /nfs/dbraw/zinc/73/12/81/384731281.db2.gz MRHAUMGDZITNEP-VXGBXAGGSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)o1 ZINC000054078890 322855497 /nfs/dbraw/zinc/85/54/97/322855497.db2.gz MRHAUMGDZITNEP-NEPJUHHUSA-N 1 0 221.344 3.817 20 0 BHADRO C[C@H](Nc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000054079065 384730459 /nfs/dbraw/zinc/73/04/59/384730459.db2.gz BWJXBWGHIJXYBR-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H](Nc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000054079068 384730007 /nfs/dbraw/zinc/73/00/07/384730007.db2.gz BWJXBWGHIJXYBR-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C1CCCC1 ZINC000054079177 384729585 /nfs/dbraw/zinc/72/95/85/384729585.db2.gz GAGFZCHUDSHREG-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)C1CCCC1 ZINC000054079179 384731085 /nfs/dbraw/zinc/73/10/85/384731085.db2.gz GAGFZCHUDSHREG-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C1CCCC1 ZINC000054079181 322855821 /nfs/dbraw/zinc/85/58/21/322855821.db2.gz GAGFZCHUDSHREG-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)C1CCCC1 ZINC000054079183 384731224 /nfs/dbraw/zinc/73/12/24/384731224.db2.gz GAGFZCHUDSHREG-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Nc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000054080214 384729328 /nfs/dbraw/zinc/72/93/28/384729328.db2.gz QVOBQUIFPLSAFS-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H](Nc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000054080215 384731144 /nfs/dbraw/zinc/73/11/44/384731144.db2.gz QVOBQUIFPLSAFS-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(O)c1 ZINC000054080256 322855819 /nfs/dbraw/zinc/85/58/19/322855819.db2.gz DQTZMRZDFFBXIU-RYUDHWBXSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(O)c1 ZINC000054080258 384731157 /nfs/dbraw/zinc/73/11/57/384731157.db2.gz DQTZMRZDFFBXIU-NWDGAFQWSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C1CCCC1 ZINC000054080260 322855679 /nfs/dbraw/zinc/85/56/79/322855679.db2.gz DQTZMRZDFFBXIU-NEPJUHHUSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccc(O)c1 ZINC000054080262 322855725 /nfs/dbraw/zinc/85/57/25/322855725.db2.gz DQTZMRZDFFBXIU-VXGBXAGGSA-N 1 0 233.355 3.622 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000054080494 322855834 /nfs/dbraw/zinc/85/58/34/322855834.db2.gz GSDXZXUNMYMVLN-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)C1CCCC1 ZINC000054080496 322855767 /nfs/dbraw/zinc/85/57/67/322855767.db2.gz GSDXZXUNMYMVLN-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000054080540 322855699 /nfs/dbraw/zinc/85/56/99/322855699.db2.gz UBJZITUVGHFGGA-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H](C)C1CCCC1 ZINC000054080542 384731588 /nfs/dbraw/zinc/73/15/88/384731588.db2.gz UBJZITUVGHFGGA-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054080574 322855688 /nfs/dbraw/zinc/85/56/88/322855688.db2.gz NLVXTMFEIFTBDS-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054080577 384730768 /nfs/dbraw/zinc/73/07/68/384730768.db2.gz NLVXTMFEIFTBDS-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000054080579 384729817 /nfs/dbraw/zinc/72/98/17/384729817.db2.gz NLVXTMFEIFTBDS-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000054080580 322855727 /nfs/dbraw/zinc/85/57/27/322855727.db2.gz NLVXTMFEIFTBDS-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)C1CCCC1 ZINC000054080808 322855667 /nfs/dbraw/zinc/85/56/67/322855667.db2.gz NJCFSVYMZBCKQC-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)C1CCCC1 ZINC000054080810 322855638 /nfs/dbraw/zinc/85/56/38/322855638.db2.gz NJCFSVYMZBCKQC-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO COCc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054080841 384730613 /nfs/dbraw/zinc/73/06/13/384730613.db2.gz DPJOHQRRIHWFNU-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000054080843 384729256 /nfs/dbraw/zinc/72/92/56/384729256.db2.gz DPJOHQRRIHWFNU-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C1CCCC1 ZINC000054081159 323202738 /nfs/dbraw/zinc/20/27/38/323202738.db2.gz PBZBEEHNNDBEJT-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C1CCCC1 ZINC000054081161 323202710 /nfs/dbraw/zinc/20/27/10/323202710.db2.gz PBZBEEHNNDBEJT-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C1CCCC1 ZINC000054081163 323202648 /nfs/dbraw/zinc/20/26/48/323202648.db2.gz PBZBEEHNNDBEJT-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)C1CCCC1 ZINC000054081165 323202678 /nfs/dbraw/zinc/20/26/78/323202678.db2.gz PBZBEEHNNDBEJT-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO Cc1cccc(OCC[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054081271 384731766 /nfs/dbraw/zinc/73/17/66/384731766.db2.gz MUWUJJHXQDDMMY-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@H](C)C2CCCC2)c1 ZINC000054081273 322855733 /nfs/dbraw/zinc/85/57/33/322855733.db2.gz MUWUJJHXQDDMMY-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CCCC1 ZINC000054081423 384730755 /nfs/dbraw/zinc/73/07/55/384730755.db2.gz WEJTWRDGNGJXOL-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CCCC1 ZINC000054081425 384731755 /nfs/dbraw/zinc/73/17/55/384731755.db2.gz WEJTWRDGNGJXOL-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CCCC1 ZINC000054081427 322855709 /nfs/dbraw/zinc/85/57/09/322855709.db2.gz WEJTWRDGNGJXOL-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CCCC1 ZINC000054081429 322855790 /nfs/dbraw/zinc/85/57/90/322855790.db2.gz WEJTWRDGNGJXOL-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000054081540 322855695 /nfs/dbraw/zinc/85/56/95/322855695.db2.gz BIKYMBCMRJJLMJ-SUMWQHHRSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000054081542 322855691 /nfs/dbraw/zinc/85/56/91/322855691.db2.gz BIKYMBCMRJJLMJ-CXAGYDPISA-N 1 0 243.394 3.712 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000054081544 384729640 /nfs/dbraw/zinc/72/96/40/384729640.db2.gz BIKYMBCMRJJLMJ-GUYCJALGSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000054081546 322855721 /nfs/dbraw/zinc/85/57/21/322855721.db2.gz BIKYMBCMRJJLMJ-DYVFJYSZSA-N 1 0 243.394 3.712 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)C2CCCC2)c1 ZINC000054081552 179058002 /nfs/dbraw/zinc/05/80/02/179058002.db2.gz SJJMHAGLHBTLNX-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)C2CCCC2)c1 ZINC000054081554 179060049 /nfs/dbraw/zinc/06/00/49/179060049.db2.gz SJJMHAGLHBTLNX-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO C[C@H]([NH2+]CCCOc1ccccc1)C1CCCC1 ZINC000054081569 384731782 /nfs/dbraw/zinc/73/17/82/384731782.db2.gz ONMPQROUFBIZRU-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]([NH2+]CCCOc1ccccc1)C1CCCC1 ZINC000054081571 384731063 /nfs/dbraw/zinc/73/10/63/384731063.db2.gz ONMPQROUFBIZRU-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1sc([C@@H]2CCCC[NH2+]2)nc1-c1ccco1 ZINC000054084003 488210180 /nfs/dbraw/zinc/21/01/80/488210180.db2.gz HBCPERHZWUKEFX-JTQLQIEISA-N 1 0 248.351 3.526 20 0 BHADRO Cc1sc([C@H]2CCCC[NH2+]2)nc1-c1ccco1 ZINC000054084005 488209954 /nfs/dbraw/zinc/20/99/54/488209954.db2.gz HBCPERHZWUKEFX-SNVBAGLBSA-N 1 0 248.351 3.526 20 0 BHADRO CCCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000054115210 487687821 /nfs/dbraw/zinc/68/78/21/487687821.db2.gz SFYKEBJAXDSTPR-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000054115702 363561349 /nfs/dbraw/zinc/56/13/49/363561349.db2.gz FDGOMFZGAYTXFD-YVGDHZEHSA-N 1 0 227.760 3.638 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000054115704 363561666 /nfs/dbraw/zinc/56/16/66/363561666.db2.gz FDGOMFZGAYTXFD-QLCVYAKKSA-N 1 0 227.760 3.638 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1C/C=C/Cl ZINC000054117129 635398298 /nfs/dbraw/zinc/39/82/98/635398298.db2.gz STYGXEWZGQQMEJ-ZXCPCRMDSA-N 1 0 241.787 3.810 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1C/C=C/Cl ZINC000054117131 635399377 /nfs/dbraw/zinc/39/93/77/635399377.db2.gz STYGXEWZGQQMEJ-GQOHGMTASA-N 1 0 241.787 3.810 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C/C=C/Cl ZINC000054117315 635398487 /nfs/dbraw/zinc/39/84/87/635398487.db2.gz NNASSNQFROGLJO-ANRVEHPFSA-N 1 0 227.710 3.571 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)C/C=C/Cl ZINC000054117317 643695367 /nfs/dbraw/zinc/69/53/67/643695367.db2.gz NNASSNQFROGLJO-SIUBYYJGSA-N 1 0 227.710 3.571 20 0 BHADRO Cc1ccc(C2=CC[N@H+](C/C=C/Cl)CC2)cc1 ZINC000054145961 635742839 /nfs/dbraw/zinc/74/28/39/635742839.db2.gz QVENCFVKRBCOOS-XNWCZRBMSA-N 1 0 247.769 3.837 20 0 BHADRO CC(C)c1ccc(NCC2CC[NH+](C)CC2)cc1 ZINC000054239752 711782675 /nfs/dbraw/zinc/78/26/75/711782675.db2.gz ALYIHBBPDXEIBL-UHFFFAOYSA-N 1 0 246.398 3.564 20 0 BHADRO CC[N@@H+](Cc1cccc2cccnc21)CC(C)C ZINC000054316779 323204065 /nfs/dbraw/zinc/20/40/65/323204065.db2.gz IQRATQSTCKWRKB-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@@H](C)c1ccc(F)cc1 ZINC000054341041 636426217 /nfs/dbraw/zinc/42/62/17/636426217.db2.gz VUHWPCSZXGASAH-VKJYCEFSSA-N 1 0 241.737 3.961 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@H](C)c1ccc(F)cc1 ZINC000054341043 636426831 /nfs/dbraw/zinc/42/68/31/636426831.db2.gz VUHWPCSZXGASAH-VCFDLTMXSA-N 1 0 241.737 3.961 20 0 BHADRO CC[NH2+][C@@H](CC)c1cccc2ccccc21 ZINC000054439282 636683658 /nfs/dbraw/zinc/68/36/58/636683658.db2.gz JTMOUHKNUPORNV-HNNXBMFYSA-N 1 0 213.324 3.900 20 0 BHADRO CC[NH2+][C@H](CC)c1cccc2ccccc21 ZINC000054439284 636684536 /nfs/dbraw/zinc/68/45/36/636684536.db2.gz JTMOUHKNUPORNV-OAHLLOKOSA-N 1 0 213.324 3.900 20 0 BHADRO c1sc2ccccc2c1C[NH2+]C1CCC1 ZINC000054463731 385595789 /nfs/dbraw/zinc/59/57/89/385595789.db2.gz AGLOBYJQQMCXPM-UHFFFAOYSA-N 1 0 217.337 3.543 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000054466787 535525560 /nfs/dbraw/zinc/52/55/60/535525560.db2.gz CKEAHQYVESWHJQ-MLGOLLRUSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000054466790 358864109 /nfs/dbraw/zinc/86/41/09/358864109.db2.gz CKEAHQYVESWHJQ-BLLLJJGKSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000054466792 358864130 /nfs/dbraw/zinc/86/41/30/358864130.db2.gz CKEAHQYVESWHJQ-WBMJQRKESA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000054466794 358864260 /nfs/dbraw/zinc/86/42/60/358864260.db2.gz CKEAHQYVESWHJQ-LRDDRELGSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000054466971 170708416 /nfs/dbraw/zinc/70/84/16/170708416.db2.gz OMAHZUMEBAHLSO-SNVBAGLBSA-N 1 0 245.288 3.841 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000054466973 171286331 /nfs/dbraw/zinc/28/63/31/171286331.db2.gz OMAHZUMEBAHLSO-JTQLQIEISA-N 1 0 245.288 3.841 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000054467064 384734448 /nfs/dbraw/zinc/73/44/48/384734448.db2.gz KJVYAVUKGBDZIW-GMXVVIOVSA-N 1 0 221.344 3.539 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000054467067 384733371 /nfs/dbraw/zinc/73/33/71/384733371.db2.gz KJVYAVUKGBDZIW-GVXVVHGQSA-N 1 0 221.344 3.539 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000054467069 322856368 /nfs/dbraw/zinc/85/63/68/322856368.db2.gz HNQNIXLPWBXLIX-SNVBAGLBSA-N 1 0 245.288 3.841 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000054467071 384733955 /nfs/dbraw/zinc/73/39/55/384733955.db2.gz HNQNIXLPWBXLIX-JTQLQIEISA-N 1 0 245.288 3.841 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)CC ZINC000054467115 384733232 /nfs/dbraw/zinc/73/32/32/384733232.db2.gz KMESWUAUCSRHRI-OLZOCXBDSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CC ZINC000054467117 322856369 /nfs/dbraw/zinc/85/63/69/322856369.db2.gz KMESWUAUCSRHRI-STQMWFEESA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CC ZINC000054467120 384735050 /nfs/dbraw/zinc/73/50/50/384735050.db2.gz KMESWUAUCSRHRI-CHWSQXEVSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CC ZINC000054467121 384733962 /nfs/dbraw/zinc/73/39/62/384733962.db2.gz KMESWUAUCSRHRI-QWHCGFSZSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000054467179 636720463 /nfs/dbraw/zinc/72/04/63/636720463.db2.gz BDGIJIFOQFHDBN-MNOVXSKESA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000054467181 636720694 /nfs/dbraw/zinc/72/06/94/636720694.db2.gz BDGIJIFOQFHDBN-QWRGUYRKSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000054467182 636720884 /nfs/dbraw/zinc/72/08/84/636720884.db2.gz BDGIJIFOQFHDBN-GHMZBOCLSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000054467184 636720532 /nfs/dbraw/zinc/72/05/32/636720532.db2.gz BDGIJIFOQFHDBN-WDEREUQCSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000054467283 384734930 /nfs/dbraw/zinc/73/49/30/384734930.db2.gz RMHYTIAGRNGMBZ-SECBINFHSA-N 1 0 229.726 3.615 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000054467329 358863777 /nfs/dbraw/zinc/86/37/77/358863777.db2.gz USSJNAGCPOJZJE-RISCZKNCSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000054467331 134764121 /nfs/dbraw/zinc/76/41/21/134764121.db2.gz USSJNAGCPOJZJE-FZMZJTMJSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000054467334 358864224 /nfs/dbraw/zinc/86/42/24/358864224.db2.gz USSJNAGCPOJZJE-BXUZGUMPSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccc(F)cc1 ZINC000054467336 358864254 /nfs/dbraw/zinc/86/42/54/358864254.db2.gz USSJNAGCPOJZJE-SMDDNHRTSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000054467660 322856377 /nfs/dbraw/zinc/85/63/77/322856377.db2.gz KKKGYNZLAHEAMC-LLVKDONJSA-N 1 0 217.312 3.569 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000054467662 322856426 /nfs/dbraw/zinc/85/64/26/322856426.db2.gz KKKGYNZLAHEAMC-NSHDSACASA-N 1 0 217.312 3.569 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000054467668 323087147 /nfs/dbraw/zinc/08/71/47/323087147.db2.gz AAYLVIFXTLXQMR-MRVPVSSYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000054467670 384735045 /nfs/dbraw/zinc/73/50/45/384735045.db2.gz AAYLVIFXTLXQMR-QMMMGPOBSA-N 1 0 217.765 3.537 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@@H](C)CC)cc1 ZINC000054467684 384732858 /nfs/dbraw/zinc/73/28/58/384732858.db2.gz DKXGDQZXQRVJSG-ZDUSSCGKSA-N 1 0 235.371 3.611 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@H](C)CC)cc1 ZINC000054467686 384732728 /nfs/dbraw/zinc/73/27/28/384732728.db2.gz DKXGDQZXQRVJSG-CYBMUJFWSA-N 1 0 235.371 3.611 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(SC)cc1 ZINC000054467712 384734710 /nfs/dbraw/zinc/73/47/10/384734710.db2.gz IGAYGUQHWYLXLH-LLVKDONJSA-N 1 0 223.385 3.544 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(SC)cc1 ZINC000054467714 322856383 /nfs/dbraw/zinc/85/63/83/322856383.db2.gz IGAYGUQHWYLXLH-NSHDSACASA-N 1 0 223.385 3.544 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000054468022 636720958 /nfs/dbraw/zinc/72/09/58/636720958.db2.gz JRDWFNZRLWHBQP-LRVUVFPRSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000054468024 171283513 /nfs/dbraw/zinc/28/35/13/171283513.db2.gz JRDWFNZRLWHBQP-GRTSSRMGSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054468026 384735061 /nfs/dbraw/zinc/73/50/61/384735061.db2.gz XVUIHRZHGIKPQR-NUYPLMSZSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054468028 384734828 /nfs/dbraw/zinc/73/48/28/384734828.db2.gz XVUIHRZHGIKPQR-ZOODHJKOSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2ccccc2OC)C1 ZINC000054468041 387826836 /nfs/dbraw/zinc/82/68/36/387826836.db2.gz NEFYPGWUOBIAIK-IYXRBSQSSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2ccccc2OC)C1 ZINC000054468043 171283804 /nfs/dbraw/zinc/28/38/04/171283804.db2.gz NEFYPGWUOBIAIK-HSBZDZAISA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054468069 384732593 /nfs/dbraw/zinc/73/25/93/384732593.db2.gz RWGQLPNAYXWYQE-NUYPLMSZSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054468071 322856423 /nfs/dbraw/zinc/85/64/23/322856423.db2.gz RWGQLPNAYXWYQE-ZOODHJKOSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000054468077 384733129 /nfs/dbraw/zinc/73/31/29/384733129.db2.gz CYTQIBZGOQZZCV-PNESKVBLSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000054468079 322856374 /nfs/dbraw/zinc/85/63/74/322856374.db2.gz CYTQIBZGOQZZCV-HIFPTAJRSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000054468108 322856238 /nfs/dbraw/zinc/85/62/38/322856238.db2.gz RSNMUDBZPQULKS-LRVUVFPRSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000054468110 384733085 /nfs/dbraw/zinc/73/30/85/384733085.db2.gz RSNMUDBZPQULKS-GRTSSRMGSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000054468177 384734721 /nfs/dbraw/zinc/73/47/21/384734721.db2.gz IEFSITIEIPKCSU-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000054468178 384734601 /nfs/dbraw/zinc/73/46/01/384734601.db2.gz IEFSITIEIPKCSU-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000054468181 170707874 /nfs/dbraw/zinc/70/78/74/170707874.db2.gz QZHPFWRYBPFWOM-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000054468182 171285453 /nfs/dbraw/zinc/28/54/53/171285453.db2.gz QZHPFWRYBPFWOM-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000054468188 322856357 /nfs/dbraw/zinc/85/63/57/322856357.db2.gz XLLQTMMDEJXVLI-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000054468191 322856429 /nfs/dbraw/zinc/85/64/29/322856429.db2.gz XLLQTMMDEJXVLI-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000054468192 322856337 /nfs/dbraw/zinc/85/63/37/322856337.db2.gz XLLQTMMDEJXVLI-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000054468195 322856362 /nfs/dbraw/zinc/85/63/62/322856362.db2.gz XLLQTMMDEJXVLI-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000054468421 322934461 /nfs/dbraw/zinc/93/44/61/322934461.db2.gz MGVBYWUTJKSFDE-MLGOLLRUSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000054468423 322856433 /nfs/dbraw/zinc/85/64/33/322856433.db2.gz MGVBYWUTJKSFDE-BLLLJJGKSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000054468425 384733516 /nfs/dbraw/zinc/73/35/16/384733516.db2.gz MGVBYWUTJKSFDE-WBMJQRKESA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000054468427 384735085 /nfs/dbraw/zinc/73/50/85/384735085.db2.gz MGVBYWUTJKSFDE-LRDDRELGSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000054468715 322856299 /nfs/dbraw/zinc/85/62/99/322856299.db2.gz UUDLSBQVJHLLPP-IAQYHMDHSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000054468716 384732662 /nfs/dbraw/zinc/73/26/62/384732662.db2.gz UUDLSBQVJHLLPP-XHDPSFHLSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000054468718 322856372 /nfs/dbraw/zinc/85/63/72/322856372.db2.gz UUDLSBQVJHLLPP-ABAIWWIYSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000054468720 322856356 /nfs/dbraw/zinc/85/63/56/322856356.db2.gz UUDLSBQVJHLLPP-NHYWBVRUSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000054468808 538663122 /nfs/dbraw/zinc/66/31/22/538663122.db2.gz FIWLFPMOEURMDU-BXUZGUMPSA-N 1 0 235.396 3.610 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000054468810 538662919 /nfs/dbraw/zinc/66/29/19/538662919.db2.gz FIWLFPMOEURMDU-SMDDNHRTSA-N 1 0 235.396 3.610 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CSCc2ccccc21 ZINC000054468812 538663251 /nfs/dbraw/zinc/66/32/51/538663251.db2.gz FIWLFPMOEURMDU-RISCZKNCSA-N 1 0 235.396 3.610 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CSCc2ccccc21 ZINC000054468814 538663686 /nfs/dbraw/zinc/66/36/86/538663686.db2.gz FIWLFPMOEURMDU-FZMZJTMJSA-N 1 0 235.396 3.610 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@@H](C)CC)c1 ZINC000054469169 169325295 /nfs/dbraw/zinc/32/52/95/169325295.db2.gz AZEIGVJUXNXGLT-ZDUSSCGKSA-N 1 0 235.371 3.611 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@H](C)CC)c1 ZINC000054469173 169324945 /nfs/dbraw/zinc/32/49/45/169324945.db2.gz AZEIGVJUXNXGLT-CYBMUJFWSA-N 1 0 235.371 3.611 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000054469222 170708527 /nfs/dbraw/zinc/70/85/27/170708527.db2.gz QGJMSNMRQSFGPO-CYBMUJFWSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000054469226 171285703 /nfs/dbraw/zinc/28/57/03/171285703.db2.gz QGJMSNMRQSFGPO-ZDUSSCGKSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000054469567 384733974 /nfs/dbraw/zinc/73/39/74/384733974.db2.gz YUWLLFXHXGKTPC-ZIAGYGMSSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000054469571 384733690 /nfs/dbraw/zinc/73/36/90/384733690.db2.gz YUWLLFXHXGKTPC-UONOGXRCSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000054469575 322856297 /nfs/dbraw/zinc/85/62/97/322856297.db2.gz YUWLLFXHXGKTPC-KGLIPLIRSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000054469577 322856370 /nfs/dbraw/zinc/85/63/70/322856370.db2.gz YUWLLFXHXGKTPC-KBPBESRZSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000054469664 322856375 /nfs/dbraw/zinc/85/63/75/322856375.db2.gz LOGYEOPDWNDTBJ-ZWNOBZJWSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000054469666 322856355 /nfs/dbraw/zinc/85/63/55/322856355.db2.gz LOGYEOPDWNDTBJ-GXFFZTMASA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000054469669 323087114 /nfs/dbraw/zinc/08/71/14/323087114.db2.gz LOGYEOPDWNDTBJ-MFKMUULPSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000054469673 323087117 /nfs/dbraw/zinc/08/71/17/323087117.db2.gz LOGYEOPDWNDTBJ-GWCFXTLKSA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)C1CCC([NH2+]Cc2ccco2)CC1 ZINC000054554353 322856358 /nfs/dbraw/zinc/85/63/58/322856358.db2.gz AAEPHDAFMJBUMV-UHFFFAOYSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000054554371 384737172 /nfs/dbraw/zinc/73/71/72/384737172.db2.gz BFXFKFOZFSOCGA-UHFFFAOYSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000054554415 636854813 /nfs/dbraw/zinc/85/48/13/636854813.db2.gz UXLYPYFNYIPIPR-HLIUYOAVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000054554416 166756902 /nfs/dbraw/zinc/75/69/02/166756902.db2.gz UXLYPYFNYIPIPR-VQCLRJIVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000054554420 166757522 /nfs/dbraw/zinc/75/75/22/166757522.db2.gz ZNMOTMPYTWUFDI-NFOMZHRRSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000054554421 636855124 /nfs/dbraw/zinc/85/51/24/636855124.db2.gz ZNMOTMPYTWUFDI-WLYUNCDWSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000054554438 322856322 /nfs/dbraw/zinc/85/63/22/322856322.db2.gz LYQQUVIMANJWRP-HLIUYOAVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000054554439 322856376 /nfs/dbraw/zinc/85/63/76/322856376.db2.gz LYQQUVIMANJWRP-VQCLRJIVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)OCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000054554649 322856286 /nfs/dbraw/zinc/85/62/86/322856286.db2.gz WOCVHLWETDENMY-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000054554781 322856363 /nfs/dbraw/zinc/85/63/63/322856363.db2.gz BFBDEQXNSWSJKF-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1CCC([NH2+]CCc2ccco2)CC1 ZINC000054554821 322856432 /nfs/dbraw/zinc/85/64/32/322856432.db2.gz XOGTXETTZHXJDO-UHFFFAOYSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000054554822 384736127 /nfs/dbraw/zinc/73/61/27/384736127.db2.gz CQOFSURJSSYATE-DCBWTQNWSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000054554823 384737068 /nfs/dbraw/zinc/73/70/68/384737068.db2.gz CQOFSURJSSYATE-LKSINWNRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+]CC(C)(C)C)CC1 ZINC000054556246 322856694 /nfs/dbraw/zinc/85/66/94/322856694.db2.gz GRJQEAUJRUUYMJ-UHFFFAOYSA-N 1 0 211.393 3.837 20 0 BHADRO CCCCOCC[NH2+]C1CCC(C(C)C)CC1 ZINC000054556258 384736958 /nfs/dbraw/zinc/73/69/58/384736958.db2.gz BBNBKXKSDPZUFJ-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000054556638 322856625 /nfs/dbraw/zinc/85/66/25/322856625.db2.gz HLDDBUVSDDUGOM-WXRRBKDZSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000054556639 322856543 /nfs/dbraw/zinc/85/65/43/322856543.db2.gz HLDDBUVSDDUGOM-BPCQOVAHSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1cccc(C[NH2+]C2CCC(C(C)C)CC2)n1 ZINC000054556716 179090644 /nfs/dbraw/zinc/09/06/44/179090644.db2.gz XKUXOPHTOOGMPS-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000054638171 384736208 /nfs/dbraw/zinc/73/62/08/384736208.db2.gz SQEOKCMLJDMDKY-UHFFFAOYSA-N 1 0 239.790 3.907 20 0 BHADRO CC(C)C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000054638538 384737103 /nfs/dbraw/zinc/73/71/03/384737103.db2.gz NDDBAVSTLBZWPG-UHFFFAOYSA-N 1 0 219.372 3.501 20 0 BHADRO CC(C)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000054655683 384736854 /nfs/dbraw/zinc/73/68/54/384736854.db2.gz FTOGJUORVKYGEM-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000054742522 134770028 /nfs/dbraw/zinc/77/00/28/134770028.db2.gz AXQPWCPMPRDAGA-CYBMUJFWSA-N 1 0 223.747 3.717 20 0 BHADRO CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000054742523 535516140 /nfs/dbraw/zinc/51/61/40/535516140.db2.gz AXQPWCPMPRDAGA-ZDUSSCGKSA-N 1 0 223.747 3.717 20 0 BHADRO CCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000054742530 359347565 /nfs/dbraw/zinc/34/75/65/359347565.db2.gz LCYYOXZMJVCMEU-CYBMUJFWSA-N 1 0 223.747 3.717 20 0 BHADRO CCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000054742531 359347172 /nfs/dbraw/zinc/34/71/72/359347172.db2.gz LCYYOXZMJVCMEU-ZDUSSCGKSA-N 1 0 223.747 3.717 20 0 BHADRO CC[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000054742668 134769782 /nfs/dbraw/zinc/76/97/82/134769782.db2.gz NEBXHCZOUYDLLW-OAHLLOKOSA-N 1 0 217.356 3.797 20 0 BHADRO CC[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000054742669 358873016 /nfs/dbraw/zinc/87/30/16/358873016.db2.gz NEBXHCZOUYDLLW-HNNXBMFYSA-N 1 0 217.356 3.797 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1cncs1 ZINC000054770381 640411021 /nfs/dbraw/zinc/41/10/21/640411021.db2.gz JJZVNTYRJYBJJD-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2cncs2)cc1 ZINC000054770685 384854217 /nfs/dbraw/zinc/85/42/17/384854217.db2.gz NSBQWJRXKLCEJB-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2cncs2)cc1 ZINC000054770686 384856028 /nfs/dbraw/zinc/85/60/28/384856028.db2.gz NSBQWJRXKLCEJB-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000054770702 384855723 /nfs/dbraw/zinc/85/57/23/384855723.db2.gz YDGWRWKTIULDAL-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000054770703 384853688 /nfs/dbraw/zinc/85/36/88/384853688.db2.gz YDGWRWKTIULDAL-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO CC[C@H]([NH2+]Cc1cncs1)c1ccc(C)cc1 ZINC000054770850 640411210 /nfs/dbraw/zinc/41/12/10/640411210.db2.gz ZYHLYTUCGPCXNE-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncs1)c1ccc(C)cc1 ZINC000054770851 640411960 /nfs/dbraw/zinc/41/19/60/640411960.db2.gz ZYHLYTUCGPCXNE-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000054770887 384855019 /nfs/dbraw/zinc/85/50/19/384855019.db2.gz WTCLBXGMNCMPIY-AWEZNQCLSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000054770888 384854324 /nfs/dbraw/zinc/85/43/24/384854324.db2.gz WTCLBXGMNCMPIY-CQSZACIVSA-N 1 0 246.379 3.774 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cncs1 ZINC000054771138 385660963 /nfs/dbraw/zinc/66/09/63/385660963.db2.gz RRWDRPZIQITNEE-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cncs1 ZINC000054771139 385660615 /nfs/dbraw/zinc/66/06/15/385660615.db2.gz RRWDRPZIQITNEE-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cncs2)c(C)c1 ZINC000054788163 384854398 /nfs/dbraw/zinc/85/43/98/384854398.db2.gz YKRXDUJSCKNHFE-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cncs2)c(C)c1 ZINC000054788164 384855469 /nfs/dbraw/zinc/85/54/69/384855469.db2.gz YKRXDUJSCKNHFE-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCC1CCC([NH2+]Cc2cncs2)CC1 ZINC000054788362 322857548 /nfs/dbraw/zinc/85/75/48/322857548.db2.gz OVWLBGABQJHGJT-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO CC(C)c1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000054788411 384854500 /nfs/dbraw/zinc/85/45/00/384854500.db2.gz NUDXOBRNEXWZSH-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@H]([NH2+]Cc1cncs1)C1CCCCC1 ZINC000054788473 487910515 /nfs/dbraw/zinc/91/05/15/487910515.db2.gz CFTOJNFGOJGXJX-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncs1)C1CCCCC1 ZINC000054788474 487910781 /nfs/dbraw/zinc/91/07/81/487910781.db2.gz CFTOJNFGOJGXJX-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCc1nc(C[NH2+]C2CCCCCC2)cs1 ZINC000054918125 632520920 /nfs/dbraw/zinc/52/09/20/632520920.db2.gz NBYWRVRJCZROOP-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993511 488336824 /nfs/dbraw/zinc/33/68/24/488336824.db2.gz LJTJOEIFMDKNJL-OAHLLOKOSA-N 1 0 215.340 3.790 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993512 488336769 /nfs/dbraw/zinc/33/67/69/488336769.db2.gz LJTJOEIFMDKNJL-HNNXBMFYSA-N 1 0 215.340 3.790 20 0 BHADRO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993513 640428377 /nfs/dbraw/zinc/42/83/77/640428377.db2.gz XJPSWCQZVYCKFH-CYBMUJFWSA-N 1 0 221.731 3.576 20 0 BHADRO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993514 640428786 /nfs/dbraw/zinc/42/87/86/640428786.db2.gz XJPSWCQZVYCKFH-ZDUSSCGKSA-N 1 0 221.731 3.576 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993531 640427912 /nfs/dbraw/zinc/42/79/12/640427912.db2.gz GUCAKZNATBWXFW-NEXMIYJRSA-N 1 0 221.731 3.576 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993532 640428415 /nfs/dbraw/zinc/42/84/15/640428415.db2.gz GUCAKZNATBWXFW-OMDQHUAHSA-N 1 0 221.731 3.576 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccccc1C ZINC000055052688 358880772 /nfs/dbraw/zinc/88/07/72/358880772.db2.gz QHZPEUBEJOQVCH-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000055052834 358880831 /nfs/dbraw/zinc/88/08/31/358880831.db2.gz YVXVJRHHJZDJES-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000055052923 358880292 /nfs/dbraw/zinc/88/02/92/358880292.db2.gz KOCQGCXYTRAYMN-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000055052933 363584687 /nfs/dbraw/zinc/58/46/87/363584687.db2.gz HSPPUVOIDNXHRA-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000055053370 358880147 /nfs/dbraw/zinc/88/01/47/358880147.db2.gz KMWDBNLAQJVGTB-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1occc1C[N@H+](C)CCCc1ccccc1 ZINC000055054460 363584863 /nfs/dbraw/zinc/58/48/63/363584863.db2.gz CICPWYOBLSLPQG-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO Cc1occc1CN(C)[C@@H](C)c1ccccc1F ZINC000055057687 358880686 /nfs/dbraw/zinc/88/06/86/358880686.db2.gz GXMOWYOMDXQFAV-NSHDSACASA-N 1 0 247.313 3.920 20 0 BHADRO Cc1occc1CN(C)[C@H](C)c1ccccc1F ZINC000055057688 358880370 /nfs/dbraw/zinc/88/03/70/358880370.db2.gz GXMOWYOMDXQFAV-LLVKDONJSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000055057690 358880565 /nfs/dbraw/zinc/88/05/65/358880565.db2.gz QMZWCQIWIXNPRG-NSHDSACASA-N 1 0 247.313 3.920 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000055057691 358880905 /nfs/dbraw/zinc/88/09/05/358880905.db2.gz QMZWCQIWIXNPRG-LLVKDONJSA-N 1 0 247.313 3.920 20 0 BHADRO CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000055224123 358884558 /nfs/dbraw/zinc/88/45/58/358884558.db2.gz KSCQFGJVHDHQTF-LBPRGKRZSA-N 1 0 241.762 3.799 20 0 BHADRO CCC[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000055224125 358884217 /nfs/dbraw/zinc/88/42/17/358884217.db2.gz KSCQFGJVHDHQTF-GFCCVEGCSA-N 1 0 241.762 3.799 20 0 BHADRO CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000055224146 384739453 /nfs/dbraw/zinc/73/94/53/384739453.db2.gz UAGXBIJEKRTKRB-ZETCQYMHSA-N 1 0 218.127 3.664 20 0 BHADRO CC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000055224148 388597142 /nfs/dbraw/zinc/59/71/42/388597142.db2.gz UAGXBIJEKRTKRB-SSDOTTSWSA-N 1 0 218.127 3.664 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000055224171 384739140 /nfs/dbraw/zinc/73/91/40/384739140.db2.gz OIRVOGNMXQRNNJ-VIFPVBQESA-N 1 0 247.260 3.646 20 0 BHADRO CCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000055224173 322857269 /nfs/dbraw/zinc/85/72/69/322857269.db2.gz OIRVOGNMXQRNNJ-SECBINFHSA-N 1 0 247.260 3.646 20 0 BHADRO CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000055224395 322857228 /nfs/dbraw/zinc/85/72/28/322857228.db2.gz XOKWMMXKFBENGX-GFCCVEGCSA-N 1 0 243.272 3.766 20 0 BHADRO CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000055224397 322857271 /nfs/dbraw/zinc/85/72/71/322857271.db2.gz XOKWMMXKFBENGX-LBPRGKRZSA-N 1 0 243.272 3.766 20 0 BHADRO CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000055224426 384738353 /nfs/dbraw/zinc/73/83/53/384738353.db2.gz KXZWDSCWRLQBIC-CQSZACIVSA-N 1 0 221.319 3.585 20 0 BHADRO CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000055224428 384739817 /nfs/dbraw/zinc/73/98/17/384739817.db2.gz KXZWDSCWRLQBIC-AWEZNQCLSA-N 1 0 221.319 3.585 20 0 BHADRO CC(C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000055231313 322857321 /nfs/dbraw/zinc/85/73/21/322857321.db2.gz FIVRCBMHZPXIPH-UHFFFAOYSA-N 1 0 232.154 3.534 20 0 BHADRO CC[NH2+][C@@H](CC(C)C)c1ccccc1OCC ZINC000055240568 170144261 /nfs/dbraw/zinc/14/42/61/170144261.db2.gz CVUUUXOCRNXHSL-AWEZNQCLSA-N 1 0 235.371 3.782 20 0 BHADRO CC[NH2+][C@H](CC(C)C)c1ccccc1OCC ZINC000055240570 170160686 /nfs/dbraw/zinc/16/06/86/170160686.db2.gz CVUUUXOCRNXHSL-CQSZACIVSA-N 1 0 235.371 3.782 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccc(C)c2C)c1 ZINC000055386040 179093994 /nfs/dbraw/zinc/09/39/94/179093994.db2.gz XMBJUPFFRBDXGQ-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1cc(NC2CCC2)c2ccccc2[nH+]1 ZINC000055460249 322857171 /nfs/dbraw/zinc/85/71/71/322857171.db2.gz TWKZUHBNEUHTJW-UHFFFAOYSA-N 1 0 212.296 3.508 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)C)c1C ZINC000055483170 384744861 /nfs/dbraw/zinc/74/48/61/384744861.db2.gz KSYUDMSDAHIUCO-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO Cc1ccc(C[NH2+]Cc2sccc2C)s1 ZINC000055483344 385924058 /nfs/dbraw/zinc/92/40/58/385924058.db2.gz SBCDWEJXKBXYFF-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2C/C=C/Cl)cc1 ZINC000055506617 640474578 /nfs/dbraw/zinc/47/45/78/640474578.db2.gz UTBGBPUMWSPTPO-IADWALHJSA-N 1 0 239.721 3.715 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2C/C=C/Cl)cc1 ZINC000055506619 640473810 /nfs/dbraw/zinc/47/38/10/640473810.db2.gz UTBGBPUMWSPTPO-DRQXCOHGSA-N 1 0 239.721 3.715 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000055527124 363596026 /nfs/dbraw/zinc/59/60/26/363596026.db2.gz QWFFQLWEEDHHKC-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000055527125 363596100 /nfs/dbraw/zinc/59/61/00/363596100.db2.gz QWFFQLWEEDHHKC-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO C[N@H+](Cc1cccc2cccnc21)C1CCCC1 ZINC000055527915 384887258 /nfs/dbraw/zinc/88/72/58/384887258.db2.gz DYDJSNLDJXUBJF-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@H+](C)Cc1ccco1 ZINC000055898797 388094296 /nfs/dbraw/zinc/09/42/96/388094296.db2.gz BDUUWUWSSGBLSL-AWEZNQCLSA-N 1 0 243.350 3.733 20 0 BHADRO C[C@H](CCc1ccccc1)[N@H+](C)Cc1ccco1 ZINC000055898798 388094598 /nfs/dbraw/zinc/09/45/98/388094598.db2.gz BDUUWUWSSGBLSL-CQSZACIVSA-N 1 0 243.350 3.733 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055910029 359853013 /nfs/dbraw/zinc/85/30/13/359853013.db2.gz ZGICUOFTRHHYSM-CQSZACIVSA-N 1 0 203.329 3.542 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055910030 363604935 /nfs/dbraw/zinc/60/49/35/363604935.db2.gz ZGICUOFTRHHYSM-AWEZNQCLSA-N 1 0 203.329 3.542 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CCOC(C)C)c1 ZINC000055910350 363605061 /nfs/dbraw/zinc/60/50/61/363605061.db2.gz NOJFCJFYSGNSMA-INIZCTEOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CCOC(C)C)c1 ZINC000055910351 363605276 /nfs/dbraw/zinc/60/52/76/363605276.db2.gz NOJFCJFYSGNSMA-MRXNPFEDSA-N 1 0 247.382 3.557 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1ccco1 ZINC000056267234 388096759 /nfs/dbraw/zinc/09/67/59/388096759.db2.gz NCJGKCNEBGKLNC-NSHDSACASA-N 1 0 233.286 3.612 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1ccco1 ZINC000056267235 388096843 /nfs/dbraw/zinc/09/68/43/388096843.db2.gz NCJGKCNEBGKLNC-LLVKDONJSA-N 1 0 233.286 3.612 20 0 BHADRO CCCCOCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000056267868 369355946 /nfs/dbraw/zinc/35/59/46/369355946.db2.gz NXPOLJZNQCOWQT-LBPRGKRZSA-N 1 0 241.400 3.558 20 0 BHADRO CCCCOCC[N@H+](C)[C@H](C)c1cccs1 ZINC000056267869 345903418 /nfs/dbraw/zinc/90/34/18/345903418.db2.gz NXPOLJZNQCOWQT-GFCCVEGCSA-N 1 0 241.400 3.558 20 0 BHADRO CCCCOCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000056282668 368467729 /nfs/dbraw/zinc/46/77/29/368467729.db2.gz PVCAYKZYRYMWEN-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCOCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000056282669 368467944 /nfs/dbraw/zinc/46/79/44/368467944.db2.gz PVCAYKZYRYMWEN-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000056492252 344223517 /nfs/dbraw/zinc/22/35/17/344223517.db2.gz NTCAVKDORKVEJL-ZDUSSCGKSA-N 1 0 225.335 3.997 20 0 BHADRO C[C@H](c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000056492255 344223594 /nfs/dbraw/zinc/22/35/94/344223594.db2.gz NTCAVKDORKVEJL-CYBMUJFWSA-N 1 0 225.335 3.997 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000056492365 369359724 /nfs/dbraw/zinc/35/97/24/369359724.db2.gz CNXRTORZAINNLK-LBPRGKRZSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000056492368 369359839 /nfs/dbraw/zinc/35/98/39/369359839.db2.gz CNXRTORZAINNLK-GFCCVEGCSA-N 1 0 221.319 3.619 20 0 BHADRO Clc1ccc(C[NH2+]Cc2ccsc2)s1 ZINC000057328516 350125392 /nfs/dbraw/zinc/12/53/92/350125392.db2.gz HCPPQQFEZHKNRN-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO c1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000057394806 322858001 /nfs/dbraw/zinc/85/80/01/322858001.db2.gz VIVXVRUVQAZWKL-UHFFFAOYSA-N 1 0 237.346 3.508 20 0 BHADRO c1csc(C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000057394809 183387360 /nfs/dbraw/zinc/38/73/60/183387360.db2.gz CTVWMQNLBGSWPZ-UHFFFAOYSA-N 1 0 243.375 3.570 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000057476671 369397441 /nfs/dbraw/zinc/39/74/41/369397441.db2.gz YEXNZIIMHWRPNN-CQSZACIVSA-N 1 0 221.319 3.590 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000057476672 369397330 /nfs/dbraw/zinc/39/73/30/369397330.db2.gz YEXNZIIMHWRPNN-AWEZNQCLSA-N 1 0 221.319 3.590 20 0 BHADRO CCCc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000057493568 411263277 /nfs/dbraw/zinc/26/32/77/411263277.db2.gz YKURGRDIGLFFQH-UHFFFAOYSA-N 1 0 205.345 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000057493577 384950989 /nfs/dbraw/zinc/95/09/89/384950989.db2.gz ULLAVUIWEIDGSV-LBPRGKRZSA-N 1 0 205.345 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)CC)cc1 ZINC000057493580 388626541 /nfs/dbraw/zinc/62/65/41/388626541.db2.gz ULLAVUIWEIDGSV-GFCCVEGCSA-N 1 0 205.345 3.527 20 0 BHADRO CCCc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000057498846 371851453 /nfs/dbraw/zinc/85/14/53/371851453.db2.gz YXVNMJSEUBUDHM-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000057529917 388361483 /nfs/dbraw/zinc/36/14/83/388361483.db2.gz YZRNCNHWXOTAOD-UHFFFAOYSA-N 1 0 239.362 3.929 20 0 BHADRO c1cc(C[NH2+]Cc2cc3ccccc3o2)cs1 ZINC000057590999 387837802 /nfs/dbraw/zinc/83/78/02/387837802.db2.gz VUKLHEDYBIITAI-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccc(C)nc2)CC1 ZINC000057591461 358905675 /nfs/dbraw/zinc/90/56/75/358905675.db2.gz ZYNBBBRJBOVFML-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CC[N@H+](CC=C(C)C)Cc1cccs1 ZINC000057600991 387139231 /nfs/dbraw/zinc/13/92/31/387139231.db2.gz NFUQTBIDXIVKQD-UHFFFAOYSA-N 1 0 209.358 3.536 20 0 BHADRO CC(C)CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000057620166 488113695 /nfs/dbraw/zinc/11/36/95/488113695.db2.gz JXWYYTSHFZXERA-UHFFFAOYSA-N 1 0 248.395 3.774 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621148 487981491 /nfs/dbraw/zinc/98/14/91/487981491.db2.gz DGYDGNVVWIQLRT-UHFFFAOYSA-N 1 0 233.330 3.756 20 0 BHADRO CCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621227 368497964 /nfs/dbraw/zinc/49/79/64/368497964.db2.gz PKOXMSOSFARJJB-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CC(C)CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621228 487581814 /nfs/dbraw/zinc/58/18/14/487581814.db2.gz BDGUXDDTWUHKEK-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO C[N@@H+](Cc1ccsc1)CC1CCCCC1 ZINC000057621898 359962317 /nfs/dbraw/zinc/96/23/17/359962317.db2.gz OOZNEQBGCUTXDL-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1cccc(F)c1 ZINC000057621954 368497475 /nfs/dbraw/zinc/49/74/75/368497475.db2.gz DPAWSRALEVVUIA-UHFFFAOYSA-N 1 0 249.251 3.600 20 0 BHADRO CC[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621966 368498318 /nfs/dbraw/zinc/49/83/18/368498318.db2.gz IWRYVBKUKSBGMM-UHFFFAOYSA-N 1 0 217.356 3.794 20 0 BHADRO Cn1cccc1[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000057622966 359724372 /nfs/dbraw/zinc/72/43/72/359724372.db2.gz XNPQSMUTQCFHTM-INIZCTEOSA-N 1 0 246.398 3.742 20 0 BHADRO Cn1cccc1[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000057622967 359724361 /nfs/dbraw/zinc/72/43/61/359724361.db2.gz XNPQSMUTQCFHTM-MRXNPFEDSA-N 1 0 246.398 3.742 20 0 BHADRO CCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000057623502 487582407 /nfs/dbraw/zinc/58/24/07/487582407.db2.gz CECRGJRQYRKDRE-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CC(C)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000057623503 353397906 /nfs/dbraw/zinc/39/79/06/353397906.db2.gz ORYLBVCCQDUZRN-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO C=C(Cl)CN1CCc2sccc2[C@H]1CC ZINC000057625600 636041076 /nfs/dbraw/zinc/04/10/76/636041076.db2.gz AITNVEYGWSNJJM-LLVKDONJSA-N 1 0 241.787 3.810 20 0 BHADRO CCCC[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000057625942 487583587 /nfs/dbraw/zinc/58/35/87/487583587.db2.gz POADFARWPLIFCK-LBPRGKRZSA-N 1 0 223.385 3.857 20 0 BHADRO CCCC[N@@H+]1CCc2sccc2[C@H]1CC ZINC000057625945 487583561 /nfs/dbraw/zinc/58/35/61/487583561.db2.gz POADFARWPLIFCK-GFCCVEGCSA-N 1 0 223.385 3.857 20 0 BHADRO CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000057626774 387142080 /nfs/dbraw/zinc/14/20/80/387142080.db2.gz QFXDUHUBBNLTBI-CYBMUJFWSA-N 1 0 249.404 3.777 20 0 BHADRO CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000057626776 387141535 /nfs/dbraw/zinc/14/15/35/387141535.db2.gz QFXDUHUBBNLTBI-ZDUSSCGKSA-N 1 0 249.404 3.777 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000057642010 387142333 /nfs/dbraw/zinc/14/23/33/387142333.db2.gz XTQHEIGMRSRCDP-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO CCOC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000057862486 371921976 /nfs/dbraw/zinc/92/19/76/371921976.db2.gz AZLOEMZDIJBDNI-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CCOC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000057862487 371921827 /nfs/dbraw/zinc/92/18/27/371921827.db2.gz AZLOEMZDIJBDNI-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000057864001 387144509 /nfs/dbraw/zinc/14/45/09/387144509.db2.gz NPXUCRDAGZHRLU-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000057864002 387144416 /nfs/dbraw/zinc/14/44/16/387144416.db2.gz NPXUCRDAGZHRLU-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO FC(F)(F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057948397 345966544 /nfs/dbraw/zinc/96/65/44/345966544.db2.gz KYUHBHAEAGCKHX-UHFFFAOYSA-N 1 0 243.272 3.691 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1 ZINC000057993400 384748008 /nfs/dbraw/zinc/74/80/08/384748008.db2.gz YBCLHTWCPOLUBJ-ZDUSSCGKSA-N 1 0 243.325 3.547 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1 ZINC000057993402 384747598 /nfs/dbraw/zinc/74/75/98/384747598.db2.gz YBCLHTWCPOLUBJ-CYBMUJFWSA-N 1 0 243.325 3.547 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccs1 ZINC000057993542 633075622 /nfs/dbraw/zinc/07/56/22/633075622.db2.gz BPHFMFPITLSHQQ-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccs1 ZINC000057993544 633075852 /nfs/dbraw/zinc/07/58/52/633075852.db2.gz BPHFMFPITLSHQQ-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC=CCC1 ZINC000057993564 384746316 /nfs/dbraw/zinc/74/63/16/384746316.db2.gz UPULITPZONIRAD-ZFWWWQNUSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC=CCC1 ZINC000057993565 322857898 /nfs/dbraw/zinc/85/78/98/322857898.db2.gz UPULITPZONIRAD-HIFRSBDPSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000057993568 322857941 /nfs/dbraw/zinc/85/79/41/322857941.db2.gz UPULITPZONIRAD-DZGCQCFKSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000057993569 322857853 /nfs/dbraw/zinc/85/78/53/322857853.db2.gz UPULITPZONIRAD-UKRRQHHQSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccsc1 ZINC000057993608 134786479 /nfs/dbraw/zinc/78/64/79/134786479.db2.gz MUGNAQLHQNFLNL-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccsc1 ZINC000057993612 358908820 /nfs/dbraw/zinc/90/88/20/358908820.db2.gz MUGNAQLHQNFLNL-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCCCC1 ZINC000057993670 175770486 /nfs/dbraw/zinc/77/04/86/175770486.db2.gz XBHDJHZQRLKZNO-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCCCC1 ZINC000057993672 384746595 /nfs/dbraw/zinc/74/65/95/384746595.db2.gz XBHDJHZQRLKZNO-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccsc2)c(C)c1 ZINC000057993826 384977164 /nfs/dbraw/zinc/97/71/64/384977164.db2.gz HZZDSEMJTKBKDO-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccsc2)o1 ZINC000057994605 384975687 /nfs/dbraw/zinc/97/56/87/384975687.db2.gz JGUHERBOJDSKGU-MFKMUULPSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccsc2)o1 ZINC000057994607 177351603 /nfs/dbraw/zinc/35/16/03/177351603.db2.gz JGUHERBOJDSKGU-GWCFXTLKSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccsc2)o1 ZINC000057994608 384975939 /nfs/dbraw/zinc/97/59/39/384975939.db2.gz JGUHERBOJDSKGU-ZWNOBZJWSA-N 1 0 247.363 3.754 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccsc2)o1 ZINC000057994612 384976548 /nfs/dbraw/zinc/97/65/48/384976548.db2.gz JGUHERBOJDSKGU-GXFFZTMASA-N 1 0 247.363 3.754 20 0 BHADRO CC(C)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000057997851 167010849 /nfs/dbraw/zinc/01/08/49/167010849.db2.gz KKVJNPZOKPLYOP-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CCCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000057997896 633084824 /nfs/dbraw/zinc/08/48/24/633084824.db2.gz MSQCAIKJFGWUCR-UHFFFAOYSA-N 1 0 246.379 3.700 20 0 BHADRO c1cc(C[NH2+]Cc2cccc3ccccc32)co1 ZINC000057998176 398105631 /nfs/dbraw/zinc/10/56/31/398105631.db2.gz KLDOMJNUDQRVFN-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO CC(C)c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000057998209 387155457 /nfs/dbraw/zinc/15/54/57/387155457.db2.gz ALKICECBYIKPOV-UHFFFAOYSA-N 1 0 229.323 3.693 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccoc2)CC1 ZINC000057998273 358908881 /nfs/dbraw/zinc/90/88/81/358908881.db2.gz SMXOOPKRTXPMQW-UHFFFAOYSA-N 1 0 221.344 3.728 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccsc2)c1 ZINC000058003932 487750182 /nfs/dbraw/zinc/75/01/82/487750182.db2.gz NYIWNRMXGZKDDP-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000058013801 711776036 /nfs/dbraw/zinc/77/60/36/711776036.db2.gz FAHQRNFZCAGQKM-UHFFFAOYSA-N 1 0 217.356 3.761 20 0 BHADRO Cc1cccc(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000058016106 368505745 /nfs/dbraw/zinc/50/57/45/368505745.db2.gz ILDLRLNSFFXHQO-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000058016950 368506024 /nfs/dbraw/zinc/50/60/24/368506024.db2.gz KDPJDZHUJAGCOY-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000058016977 343696130 /nfs/dbraw/zinc/69/61/30/343696130.db2.gz SEZOZKAABJXZHT-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1cc(O)c(C[N@H+](C)CC2CCCC2)cc1C ZINC000058207530 640690545 /nfs/dbraw/zinc/69/05/45/640690545.db2.gz MAWPATJTIGWTDY-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CC(C)C[NH+](Cc1ccccc1)CC(C)C ZINC000058337054 487602065 /nfs/dbraw/zinc/60/20/65/487602065.db2.gz HFXIUUOOPPGVPJ-UHFFFAOYSA-N 1 0 219.372 3.801 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000058337307 360034953 /nfs/dbraw/zinc/03/49/53/360034953.db2.gz AELCKNNBLZKKAZ-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000058337308 368509633 /nfs/dbraw/zinc/50/96/33/368509633.db2.gz AELCKNNBLZKKAZ-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO C[N@H+](CC1CCCCC1)C1CCCCC1 ZINC000058337321 368509639 /nfs/dbraw/zinc/50/96/39/368509639.db2.gz LYGGJWNVOAVELH-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCCCC2)C1 ZINC000058337526 368509466 /nfs/dbraw/zinc/50/94/66/368509466.db2.gz ICDIQRGVKZYPKS-BETUJISGSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CC2CCCCC2)C1 ZINC000058337528 368509171 /nfs/dbraw/zinc/50/91/71/368509171.db2.gz ICDIQRGVKZYPKS-STQMWFEESA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CC2CCCCC2)C1 ZINC000058337530 368509992 /nfs/dbraw/zinc/50/99/92/368509992.db2.gz ICDIQRGVKZYPKS-CHWSQXEVSA-N 1 0 209.377 3.545 20 0 BHADRO CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000058337752 360034416 /nfs/dbraw/zinc/03/44/16/360034416.db2.gz OMBDTVKJOXEEJQ-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CC[N@H+](CCOc1ccccc1)C1CCCCC1 ZINC000058337757 387184016 /nfs/dbraw/zinc/18/40/16/387184016.db2.gz MNIMYFSKZWLMTI-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO c1ccc(CCC[NH+]2CCCCCCC2)cc1 ZINC000058338308 711775881 /nfs/dbraw/zinc/77/58/81/711775881.db2.gz BCJTYNPARGLHPD-UHFFFAOYSA-N 1 0 231.383 3.885 20 0 BHADRO CCC[N@H+](CC1CC1)CC1CCCCC1 ZINC000058338360 169138236 /nfs/dbraw/zinc/13/82/36/169138236.db2.gz NQZALSUZPUDSMG-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000058339195 368509644 /nfs/dbraw/zinc/50/96/44/368509644.db2.gz RAMJQECICPUNGK-UHFFFAOYSA-N 1 0 245.288 3.937 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000058372051 368511171 /nfs/dbraw/zinc/51/11/71/368511171.db2.gz KNKDULPLJHHRQS-ZBFHGGJFSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000058372053 368511183 /nfs/dbraw/zinc/51/11/83/368511183.db2.gz KNKDULPLJHHRQS-HOCLYGCPSA-N 1 0 247.357 3.980 20 0 BHADRO CCC(CC)C[N@H+](CC)CCOC(C)(C)C ZINC000058396253 343699944 /nfs/dbraw/zinc/69/99/44/343699944.db2.gz QDKJKEGGQMQNDW-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)CC1CCCC1 ZINC000058411066 368511405 /nfs/dbraw/zinc/51/14/05/368511405.db2.gz DMBSUFIOVXXJHI-KPKJPENVSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)C/C=C/Cl)cc1 ZINC000058469990 711829708 /nfs/dbraw/zinc/82/97/08/711829708.db2.gz VGUVZKMACFSFDL-RUDMXATFSA-N 1 0 237.774 3.994 20 0 BHADRO Cl/C=C/C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058470027 711829641 /nfs/dbraw/zinc/82/96/41/711829641.db2.gz HBYNJWAAIRPCSL-RUDMXATFSA-N 1 0 249.785 3.694 20 0 BHADRO c1cc(C[NH2+]Cc2cc3ccccc3[nH]2)cs1 ZINC000058474033 358911231 /nfs/dbraw/zinc/91/12/31/358911231.db2.gz MQEGRBHULFWBRU-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CCCCC[N@H+](CCc1ccccn1)C(C)C ZINC000058517883 411184077 /nfs/dbraw/zinc/18/40/77/411184077.db2.gz SLIPUCNWECDIKA-UHFFFAOYSA-N 1 0 234.387 3.525 20 0 BHADRO CCCCC[N@H+](Cc1cscn1)C(C)C ZINC000058517995 387188315 /nfs/dbraw/zinc/18/83/15/387188315.db2.gz HEXPIOSNNOYVKV-UHFFFAOYSA-N 1 0 226.389 3.544 20 0 BHADRO C#CC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000058525118 640714040 /nfs/dbraw/zinc/71/40/40/640714040.db2.gz QLCMGJQUWVVEDE-UHFFFAOYSA-N 1 0 249.357 3.652 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000058525480 368514886 /nfs/dbraw/zinc/51/48/86/368514886.db2.gz JXXYOEUKARLLBY-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO CCCC[N@H+](CC)CCO[C@@H]1CCCC[C@@H]1C ZINC000058563091 368514761 /nfs/dbraw/zinc/51/47/61/368514761.db2.gz MTDSYQHNKGCMIO-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058575852 487923627 /nfs/dbraw/zinc/92/36/27/487923627.db2.gz YRDPCGRPNPNPKQ-SOUVJXGZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOc1cc(C)cc(C)c1)C1CC1 ZINC000058575956 487924118 /nfs/dbraw/zinc/92/41/18/487924118.db2.gz MJAXSBAMZXUISX-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](CCCOc1cc(C)ccc1C)C1CC1 ZINC000058575959 487923695 /nfs/dbraw/zinc/92/36/95/487923695.db2.gz YQBDQXISYHQTBC-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@@H+](Cc1cccc(Cl)c1)CC(C)C ZINC000058577370 487924839 /nfs/dbraw/zinc/92/48/39/487924839.db2.gz KECASMYYSBDGOA-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CC(C)CC[N@H+](C)CCCc1ccccc1 ZINC000058581273 360051642 /nfs/dbraw/zinc/05/16/42/360051642.db2.gz KOHUZFOXLIJXMO-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO Cc1cc(O)c(C[N@@H+](C)C2CCCCC2)cc1C ZINC000058583874 640721158 /nfs/dbraw/zinc/72/11/58/640721158.db2.gz IAPZXWWJZXIJGG-UHFFFAOYSA-N 1 0 247.382 3.774 20 0 BHADRO CC(C)C[N@H+](C)Cc1csc2ccccc12 ZINC000058591341 368515838 /nfs/dbraw/zinc/51/58/38/368515838.db2.gz NRVKXLXYPCPYRJ-UHFFFAOYSA-N 1 0 233.380 3.989 20 0 BHADRO Cc1cc(O)c(C[NH+]2CCCCCCC2)cc1C ZINC000058591684 641159533 /nfs/dbraw/zinc/15/95/33/641159533.db2.gz DYUCQPQLVJLLGN-UHFFFAOYSA-N 1 0 247.382 3.775 20 0 BHADRO CCCC[N@H+](CCOc1ccccc1C)C1CC1 ZINC000058592335 640721502 /nfs/dbraw/zinc/72/15/02/640721502.db2.gz ADSRMSOHNSYCRE-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CCCC[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000058592510 360120622 /nfs/dbraw/zinc/12/06/22/360120622.db2.gz PSFOIWGVISPLFL-JXMROGBWSA-N 1 0 229.367 3.964 20 0 BHADRO Cl/C=C/C[NH+]1CCC(c2ccccc2)CC1 ZINC000058626549 640725683 /nfs/dbraw/zinc/72/56/83/640725683.db2.gz JVPKNMAZMKCVDL-RUDMXATFSA-N 1 0 235.758 3.619 20 0 BHADRO Cc1cc(O)c(C[N@@H+](CC(C)C)C2CC2)cc1C ZINC000058723258 640736403 /nfs/dbraw/zinc/73/64/03/640736403.db2.gz 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225.763 3.960 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000058773596 368521508 /nfs/dbraw/zinc/52/15/08/368521508.db2.gz AAJILVIWUDXPEH-NSHDSACASA-N 1 0 225.763 3.960 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000058773598 411265551 /nfs/dbraw/zinc/26/55/51/411265551.db2.gz DTLUETQAXNRFCH-LLVKDONJSA-N 1 0 225.763 3.960 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000058773600 411265986 /nfs/dbraw/zinc/26/59/86/411265986.db2.gz DTLUETQAXNRFCH-NSHDSACASA-N 1 0 225.763 3.960 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000058773606 368521237 /nfs/dbraw/zinc/52/12/37/368521237.db2.gz RTAHNRXSNXJVBY-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000058773607 368521410 /nfs/dbraw/zinc/52/14/10/368521410.db2.gz RTAHNRXSNXJVBY-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000058790657 411277753 /nfs/dbraw/zinc/27/77/53/411277753.db2.gz UHZOTSCYQQALAI-OAHLLOKOSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000058790659 411277526 /nfs/dbraw/zinc/27/75/26/411277526.db2.gz UHZOTSCYQQALAI-HNNXBMFYSA-N 1 0 231.383 3.741 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000058790889 368520660 /nfs/dbraw/zinc/52/06/60/368520660.db2.gz FFFHYLRISDRUFC-LLVKDONJSA-N 1 0 248.395 3.917 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000058790892 368520699 /nfs/dbraw/zinc/52/06/99/368520699.db2.gz FFFHYLRISDRUFC-NSHDSACASA-N 1 0 248.395 3.917 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC000058790910 368520823 /nfs/dbraw/zinc/52/08/23/368520823.db2.gz GLNWOSNDTQZTIM-CQSZACIVSA-N 1 0 219.372 3.740 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC000058790912 368520632 /nfs/dbraw/zinc/52/06/32/368520632.db2.gz GLNWOSNDTQZTIM-AWEZNQCLSA-N 1 0 219.372 3.740 20 0 BHADRO CC1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000058872477 387195654 /nfs/dbraw/zinc/19/56/54/387195654.db2.gz MXZHAIXWKYYGPE-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC(C)CC2)s1 ZINC000058872513 387197076 /nfs/dbraw/zinc/19/70/76/387197076.db2.gz CNERXXGSQYTMBQ-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO CC1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000058872536 350484216 /nfs/dbraw/zinc/48/42/16/350484216.db2.gz XTRHFQIYGDAFMJ-UHFFFAOYSA-N 1 0 223.385 3.664 20 0 BHADRO CC1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000058872558 387197583 /nfs/dbraw/zinc/19/75/83/387197583.db2.gz GJMAICZBIPOANQ-SLTAFYQDSA-N 1 0 221.388 3.759 20 0 BHADRO CC1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000058872560 387195753 /nfs/dbraw/zinc/19/57/53/387195753.db2.gz GJMAICZBIPOANQ-SHARSMKWSA-N 1 0 221.388 3.759 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC(C)CC2)o1 ZINC000058872569 358914732 /nfs/dbraw/zinc/91/47/32/358914732.db2.gz PYSFNLVJFUPDJA-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccsc1C[NH2+]CC1CCC(C)CC1 ZINC000058872574 323994813 /nfs/dbraw/zinc/99/48/13/323994813.db2.gz NETUJKJLIOORON-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO CC1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000058872583 134788989 /nfs/dbraw/zinc/78/89/89/134788989.db2.gz HMMSSCKNPFFBKF-UHFFFAOYSA-N 1 0 223.385 3.664 20 0 BHADRO CC1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000058872605 323994572 /nfs/dbraw/zinc/99/45/72/323994572.db2.gz WVGAUWFDFJONRE-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000058872628 387196656 /nfs/dbraw/zinc/19/66/56/387196656.db2.gz GTALCPAEKMVWLA-UHFFFAOYSA-N 1 0 217.356 3.603 20 0 BHADRO CC1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000058872642 387196298 /nfs/dbraw/zinc/19/62/98/387196298.db2.gz NKGIFNBRKKXEEI-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccc(C[NH2+]CC2CCC(C)CC2)cc1 ZINC000058872657 323994413 /nfs/dbraw/zinc/99/44/13/323994413.db2.gz FQJFTGNWTGIDIN-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]CC2CCC(C)CC2)c1 ZINC000058872666 323994405 /nfs/dbraw/zinc/99/44/05/323994405.db2.gz LRRBIJRWLFMWSM-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CC1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000058872673 387197574 /nfs/dbraw/zinc/19/75/74/387197574.db2.gz GUXRLEXRBPTZRP-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccccc1C[NH2+]CC1CCC(C)CC1 ZINC000058872680 387197817 /nfs/dbraw/zinc/19/78/17/387197817.db2.gz DLSYJRIFJXCKBI-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000058872736 358915364 /nfs/dbraw/zinc/91/53/64/358915364.db2.gz ZJNOVDGAPRWYJS-UHFFFAOYSA-N 1 0 249.404 3.760 20 0 BHADRO CCCC[NH2+]CCC(C)(C)c1ccccc1 ZINC000058872772 640751874 /nfs/dbraw/zinc/75/18/74/640751874.db2.gz ZBXPAQHKXJDKLA-UHFFFAOYSA-N 1 0 219.372 3.744 20 0 BHADRO CC(C)C[NH2+]CCC(C)(C)c1ccccc1 ZINC000058872780 372107390 /nfs/dbraw/zinc/10/73/90/372107390.db2.gz LAPHFVGEKTUREE-UHFFFAOYSA-N 1 0 219.372 3.600 20 0 BHADRO CC(C)(CC[NH2+]C1CCCC1)c1ccccc1 ZINC000058872781 640752002 /nfs/dbraw/zinc/75/20/02/640752002.db2.gz XIQUHOMTHTUNKJ-UHFFFAOYSA-N 1 0 231.383 3.887 20 0 BHADRO c1ccc2sc(C[NH+]3CCCCCC3)nc2c1 ZINC000058873646 387195924 /nfs/dbraw/zinc/19/59/24/387195924.db2.gz LTHGNVWFWXQHMM-UHFFFAOYSA-N 1 0 246.379 3.672 20 0 BHADRO Cc1cccc(C)c1OCC[NH+]1CCCCCC1 ZINC000058873827 351859342 /nfs/dbraw/zinc/85/93/42/351859342.db2.gz HSANDKLKBYOIBK-UHFFFAOYSA-N 1 0 247.382 3.558 20 0 BHADRO C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000058873971 351859128 /nfs/dbraw/zinc/85/91/28/351859128.db2.gz VMPGEODTBFWVHH-UHFFFAOYSA-N 1 0 245.753 3.972 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000058873984 384750415 /nfs/dbraw/zinc/75/04/15/384750415.db2.gz RYSNNTUJVGIRAL-UHFFFAOYSA-N 1 0 225.335 3.627 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000058874044 351859389 /nfs/dbraw/zinc/85/93/89/351859389.db2.gz IMFUPSDSIIASKV-OAHLLOKOSA-N 1 0 217.356 3.760 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000058874056 640753504 /nfs/dbraw/zinc/75/35/04/640753504.db2.gz VLYDPLPWVSGSBZ-HNNXBMFYSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1C ZINC000058874057 640754588 /nfs/dbraw/zinc/75/45/88/640754588.db2.gz CGSGCMHDEJHDNA-HNNXBMFYSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000058874210 372108019 /nfs/dbraw/zinc/10/80/19/372108019.db2.gz IJGSVXDZYBVULK-ZDUSSCGKSA-N 1 0 221.319 3.590 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000058874218 372107933 /nfs/dbraw/zinc/10/79/33/372107933.db2.gz XDOJPYNMECJMJR-CQSZACIVSA-N 1 0 221.319 3.590 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000058874265 372107794 /nfs/dbraw/zinc/10/77/94/372107794.db2.gz PRYAXGJSOODIES-KXKDPZRNSA-N 1 0 229.367 3.964 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000058874497 372107569 /nfs/dbraw/zinc/10/75/69/372107569.db2.gz FRSOUMDHIXIXQS-ZDUSSCGKSA-N 1 0 217.356 3.535 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058874507 368523149 /nfs/dbraw/zinc/52/31/49/368523149.db2.gz GHPTYCMCZGBONH-GFCCVEGCSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058874623 351861405 /nfs/dbraw/zinc/86/14/05/351861405.db2.gz VCUMWLFGWVHEJC-STQMWFEESA-N 1 0 249.423 3.886 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](C/C=C/c2ccccc2)C1 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/nfs/dbraw/zinc/75/54/99/640755499.db2.gz PITLKFNPHFEJNB-UHFFFAOYSA-N 1 0 217.356 3.761 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000058875304 372104780 /nfs/dbraw/zinc/10/47/80/372104780.db2.gz RNEBXTVXNJUEMK-CQSZACIVSA-N 1 0 217.356 3.678 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000058875306 353422613 /nfs/dbraw/zinc/42/26/13/353422613.db2.gz RNGWPMMLFFDXJJ-OIOXUXFSSA-N 1 0 215.340 3.574 20 0 BHADRO Cc1ccccc1C[NH+]1CCCCCCC1 ZINC000058875331 643720629 /nfs/dbraw/zinc/72/06/29/643720629.db2.gz FKMADQWBBZTDBT-UHFFFAOYSA-N 1 0 217.356 3.761 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000058875445 351865057 /nfs/dbraw/zinc/86/50/57/351865057.db2.gz BNZVOEGKOGMJLM-LLVKDONJSA-N 1 0 246.379 3.671 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CCCCCCC1 ZINC000058875466 640756297 /nfs/dbraw/zinc/75/62/97/640756297.db2.gz PKYABBKDOVMFJN-FMIVXFBMSA-N 1 0 229.367 3.966 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000058876614 372108113 /nfs/dbraw/zinc/10/81/13/372108113.db2.gz IFQMZRNRQJBDGD-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000058876624 372107186 /nfs/dbraw/zinc/10/71/86/372107186.db2.gz CWDSEDXPQRDKNB-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccccc1C[N@@H+](C)Cc1ccccc1F ZINC000058876673 372107290 /nfs/dbraw/zinc/10/72/90/372107290.db2.gz BLMVSKGRQOBMTC-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000058876689 368523913 /nfs/dbraw/zinc/52/39/13/368523913.db2.gz OOFGEGJVYIZOAA-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)Cc2cccs2)c1 ZINC000058886642 372110223 /nfs/dbraw/zinc/11/02/23/372110223.db2.gz SKLFEWKKXLVUPK-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)Cc1cccs1 ZINC000058886649 398202199 /nfs/dbraw/zinc/20/21/99/398202199.db2.gz LIUSBRCZEHUEFC-WEVVVXLNSA-N 1 0 243.375 3.893 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000058887156 368524853 /nfs/dbraw/zinc/52/48/53/368524853.db2.gz HJKXPPROSVFBDG-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cc(C)ccc2C)o1 ZINC000058888774 368524591 /nfs/dbraw/zinc/52/45/91/368524591.db2.gz QTJQPOHZISOZHE-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Clc1ccccc1CC[NH+]1CCCCCC1 ZINC000058905615 368524505 /nfs/dbraw/zinc/52/45/05/368524505.db2.gz QTPVSAUVHCTREQ-UHFFFAOYSA-N 1 0 237.774 3.759 20 0 BHADRO CC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058906125 368525200 /nfs/dbraw/zinc/52/52/00/368525200.db2.gz IWGHIZWECBJVCV-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CCCC[N@H+](C)CCc1ccccc1Cl ZINC000058906342 368525148 /nfs/dbraw/zinc/52/51/48/368525148.db2.gz SSGHDZHVOVKRLU-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO CC(C)[N@H+](CCc1ccccc1Cl)C1CC1 ZINC000058907252 372112987 /nfs/dbraw/zinc/11/29/87/372112987.db2.gz KSSFJYLJLFLQFN-UHFFFAOYSA-N 1 0 237.774 3.755 20 0 BHADRO CC(C)CC[N@H+](C)CCc1ccccc1Cl ZINC000058908441 369018499 /nfs/dbraw/zinc/01/84/99/369018499.db2.gz BBERVJKXCZGJPL-UHFFFAOYSA-N 1 0 239.790 3.860 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCc1ccccc1Cl ZINC000058922753 368525527 /nfs/dbraw/zinc/52/55/27/368525527.db2.gz MCIUZLAHGOFEAU-NSHDSACASA-N 1 0 237.774 3.613 20 0 BHADRO CC[N@H+](Cc1cccc(C)c1)C1CCCC1 ZINC000059038281 368530141 /nfs/dbraw/zinc/53/01/41/368530141.db2.gz SVPADNLHDCVXEU-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO FC(F)(F)CC[NH2+]C1CCCCCCC1 ZINC000059099524 640786276 /nfs/dbraw/zinc/78/62/76/640786276.db2.gz LBRMGDLZDALPNG-UHFFFAOYSA-N 1 0 223.282 3.641 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC(F)(F)F ZINC000059099597 324003330 /nfs/dbraw/zinc/00/33/30/324003330.db2.gz AZYOFGVADXBARI-NSHDSACASA-N 1 0 245.288 3.550 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC(F)(F)F ZINC000059099600 324003559 /nfs/dbraw/zinc/00/35/59/324003559.db2.gz AZYOFGVADXBARI-LLVKDONJSA-N 1 0 245.288 3.550 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1c[nH]c2ccccc12 ZINC000059099888 386352117 /nfs/dbraw/zinc/35/21/17/386352117.db2.gz GJYOYXCYHXQYFG-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO FC(F)(F)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000059099938 324003654 /nfs/dbraw/zinc/00/36/54/324003654.db2.gz BHQWJWJBHKTXKS-LBPRGKRZSA-N 1 0 243.272 3.606 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000059099941 324003519 /nfs/dbraw/zinc/00/35/19/324003519.db2.gz BHQWJWJBHKTXKS-GFCCVEGCSA-N 1 0 243.272 3.606 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC000059100267 640783866 /nfs/dbraw/zinc/78/38/66/640783866.db2.gz ADOQMCWKNRVXCI-SNVBAGLBSA-N 1 0 225.298 3.887 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC(F)(F)F ZINC000059100268 640784439 /nfs/dbraw/zinc/78/44/39/640784439.db2.gz ADOQMCWKNRVXCI-JTQLQIEISA-N 1 0 225.298 3.887 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180679 353142610 /nfs/dbraw/zinc/14/26/10/353142610.db2.gz WMQAQUDSVXNKTM-SNVBAGLBSA-N 1 0 240.416 3.719 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180680 353142617 /nfs/dbraw/zinc/14/26/17/353142617.db2.gz WMQAQUDSVXNKTM-JTQLQIEISA-N 1 0 240.416 3.719 20 0 BHADRO CCC(CC)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180717 168389296 /nfs/dbraw/zinc/38/92/96/168389296.db2.gz RWBDVTVZSWFMTM-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO CCCCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180743 386382513 /nfs/dbraw/zinc/38/25/13/386382513.db2.gz VQLASQNJSPQYFS-UHFFFAOYSA-N 1 0 240.416 3.720 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180843 167384114 /nfs/dbraw/zinc/38/41/14/167384114.db2.gz ZQGRANXUTWBBBE-SNVBAGLBSA-N 1 0 240.416 3.575 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180844 386382990 /nfs/dbraw/zinc/38/29/90/386382990.db2.gz ZQGRANXUTWBBBE-JTQLQIEISA-N 1 0 240.416 3.575 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059181157 386382797 /nfs/dbraw/zinc/38/27/97/386382797.db2.gz DOJSDGCSYSCEKB-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCC(C)(C)C ZINC000059208190 384752026 /nfs/dbraw/zinc/75/20/26/384752026.db2.gz IYVXTFIAHTZYAS-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000059208192 384749913 /nfs/dbraw/zinc/74/99/13/384749913.db2.gz IYVXTFIAHTZYAS-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCCC[NH+](CCCC)Cc1cccc(O)c1 ZINC000059303574 385042826 /nfs/dbraw/zinc/04/28/26/385042826.db2.gz OBBLLKCBSALDSA-UHFFFAOYSA-N 1 0 235.371 3.794 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000059313252 324007535 /nfs/dbraw/zinc/00/75/35/324007535.db2.gz USCPPVJOTFRZIW-SNVBAGLBSA-N 1 0 245.288 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000059313253 324007406 /nfs/dbraw/zinc/00/74/06/324007406.db2.gz USCPPVJOTFRZIW-JTQLQIEISA-N 1 0 245.288 3.852 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000059313260 179337056 /nfs/dbraw/zinc/33/70/56/179337056.db2.gz BGUCDVRQVJSZJU-JTQLQIEISA-N 1 0 231.261 3.598 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000059313270 324007602 /nfs/dbraw/zinc/00/76/02/324007602.db2.gz AHLUDTGAUDZHIH-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000059313272 324008012 /nfs/dbraw/zinc/00/80/12/324008012.db2.gz AHLUDTGAUDZHIH-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccc(C)cc1 ZINC000059313322 358919118 /nfs/dbraw/zinc/91/91/18/358919118.db2.gz HZRXLVBDGRZGKQ-LBPRGKRZSA-N 1 0 245.288 3.988 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccc(C)cc1 ZINC000059313323 358919390 /nfs/dbraw/zinc/91/93/90/358919390.db2.gz HZRXLVBDGRZGKQ-GFCCVEGCSA-N 1 0 245.288 3.988 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000059313428 175731670 /nfs/dbraw/zinc/73/16/70/175731670.db2.gz CDXDOHNWHWTBRG-ZDUSSCGKSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000059313430 384750756 /nfs/dbraw/zinc/75/07/56/384750756.db2.gz CDXDOHNWHWTBRG-CYBMUJFWSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccsc1 ZINC000059368605 350493217 /nfs/dbraw/zinc/49/32/17/350493217.db2.gz VOULLBYWUDKACB-QWRGUYRKSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccsc1 ZINC000059368606 350492825 /nfs/dbraw/zinc/49/28/25/350492825.db2.gz VOULLBYWUDKACB-GHMZBOCLSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)CC[NH2+]CCCOC1CCCCC1 ZINC000059382888 343045804 /nfs/dbraw/zinc/04/58/04/343045804.db2.gz HAYKJHKCKFZORQ-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000059382924 324011080 /nfs/dbraw/zinc/01/10/80/324011080.db2.gz IJIDQGCDGWPYFL-LBPRGKRZSA-N 1 0 245.288 3.926 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000059382925 324011478 /nfs/dbraw/zinc/01/14/78/324011478.db2.gz IJIDQGCDGWPYFL-GFCCVEGCSA-N 1 0 245.288 3.926 20 0 BHADRO Clc1ccc(C2([NH2+]CC3CC3)CCC2)cc1 ZINC000059628163 324016120 /nfs/dbraw/zinc/01/61/20/324016120.db2.gz RRFCNIYIZBUJMA-UHFFFAOYSA-N 1 0 235.758 3.719 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2ccsc2)c1 ZINC000059639299 385052053 /nfs/dbraw/zinc/05/20/53/385052053.db2.gz ALZXTNMZIRLCSP-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CCCCC[N@H+](CC)Cc1ccccc1 ZINC000059654346 488169629 /nfs/dbraw/zinc/16/96/29/488169629.db2.gz KTPFRNPPJARMEA-UHFFFAOYSA-N 1 0 205.345 3.699 20 0 BHADRO COc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000059917822 175189725 /nfs/dbraw/zinc/18/97/25/175189725.db2.gz YIDPURPICSRKIG-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000059917824 175176879 /nfs/dbraw/zinc/17/68/79/175176879.db2.gz YIDPURPICSRKIG-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000059917849 640838495 /nfs/dbraw/zinc/83/84/95/640838495.db2.gz ZIAJDPVBHSERNV-UHFFFAOYSA-N 1 0 231.364 3.600 20 0 BHADRO Cc1cc(C)c(C[NH2+]Cc2ccsc2)c(C)c1 ZINC000059917850 640838372 /nfs/dbraw/zinc/83/83/72/640838372.db2.gz CLNXUPGXAAKLSM-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CC(C)(C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000060119367 640847182 /nfs/dbraw/zinc/84/71/82/640847182.db2.gz JZDPKTFPXSWIHT-UHFFFAOYSA-N 1 0 246.181 3.924 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000060194051 349512616 /nfs/dbraw/zinc/51/26/16/349512616.db2.gz PKFQAMHYMPDQEQ-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CC[N@H+](Cc1ccc(O)cc1)C1CCCCC1 ZINC000060201829 369467120 /nfs/dbraw/zinc/46/71/20/369467120.db2.gz QNLKGIRMRGKOBA-UHFFFAOYSA-N 1 0 233.355 3.547 20 0 BHADRO CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000060217769 411434310 /nfs/dbraw/zinc/43/43/10/411434310.db2.gz VJERDDSTLLSQIF-UHFFFAOYSA-N 1 0 233.330 3.715 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000060218168 343095197 /nfs/dbraw/zinc/09/51/97/343095197.db2.gz GYFLAYWBAXMINE-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000060218170 343095118 /nfs/dbraw/zinc/09/51/18/343095118.db2.gz GYFLAYWBAXMINE-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC000060313146 349284483 /nfs/dbraw/zinc/28/44/83/349284483.db2.gz CSNYJUAMIFWOMN-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC1(C)CC[NH+](CCSc2ccccc2)CC1 ZINC000060313616 323099712 /nfs/dbraw/zinc/09/97/12/323099712.db2.gz PHDKYIQBTYZRRC-UHFFFAOYSA-N 1 0 249.423 3.901 20 0 BHADRO C[C@@H](CC[NH2+]C1CCSCC1)c1ccccc1 ZINC000060394217 385085470 /nfs/dbraw/zinc/08/54/70/385085470.db2.gz VPNASZJBWKMIIM-ZDUSSCGKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](CC[NH2+]C1CCSCC1)c1ccccc1 ZINC000060394218 385083090 /nfs/dbraw/zinc/08/30/90/385083090.db2.gz VPNASZJBWKMIIM-CYBMUJFWSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000060459739 324035867 /nfs/dbraw/zinc/03/58/67/324035867.db2.gz BMUJDXLYFBZUNU-SNVBAGLBSA-N 1 0 225.282 3.512 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000060459742 368543333 /nfs/dbraw/zinc/54/33/33/368543333.db2.gz COGOZRKLIUBCNR-SNVBAGLBSA-N 1 0 225.282 3.512 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000060459748 368543691 /nfs/dbraw/zinc/54/36/91/368543691.db2.gz FFSIRIMKQVVNRB-NSHDSACASA-N 1 0 223.747 3.887 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1CCCCCC1 ZINC000060459787 368543572 /nfs/dbraw/zinc/54/35/72/368543572.db2.gz AIGNCABHXZIYBI-LLVKDONJSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCCCCC1 ZINC000060459798 368543105 /nfs/dbraw/zinc/54/31/05/368543105.db2.gz KEZWEBSKVYSBJE-NSHDSACASA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC000060459989 134793453 /nfs/dbraw/zinc/79/34/53/134793453.db2.gz FFYHVPBVDWHIKH-SECBINFHSA-N 1 0 227.710 3.636 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000060460134 368543675 /nfs/dbraw/zinc/54/36/75/368543675.db2.gz QLCDFYXQVOAWJC-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C)CC1 ZINC000060460659 368543173 /nfs/dbraw/zinc/54/31/73/368543173.db2.gz PILSUFNTDPSTIP-NSHDSACASA-N 1 0 239.309 3.758 20 0 BHADRO CCC[N@H+](CCOC(C)C)CC1CCCCC1 ZINC000060495553 360477676 /nfs/dbraw/zinc/47/76/76/360477676.db2.gz UALUZFBQVDGUOG-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO Fc1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000060562497 369494175 /nfs/dbraw/zinc/49/41/75/369494175.db2.gz JFLVUXRVTVXYHD-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO Cc1cccc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000060562598 368547463 /nfs/dbraw/zinc/54/74/63/368547463.db2.gz CDJVHYPWWLCGIZ-UHFFFAOYSA-N 1 0 229.367 3.902 20 0 BHADRO C(C1CCCCC1)[N@H+](C1CC1)C1CCCC1 ZINC000060562675 369494277 /nfs/dbraw/zinc/49/42/77/369494277.db2.gz CQTBMEVCDGEUST-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO Cc1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000060562678 369493475 /nfs/dbraw/zinc/49/34/75/369493475.db2.gz NNRUHJIHAXSNNR-UHFFFAOYSA-N 1 0 229.367 3.902 20 0 BHADRO Fc1cccc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000060562749 387509543 /nfs/dbraw/zinc/50/95/43/387509543.db2.gz ZANUYASNNDVNQX-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060716127 384752601 /nfs/dbraw/zinc/75/26/01/384752601.db2.gz BFSSKHJCJJDZRB-CHWSQXEVSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060716128 322858208 /nfs/dbraw/zinc/85/82/08/322858208.db2.gz BFSSKHJCJJDZRB-OLZOCXBDSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060716129 384751142 /nfs/dbraw/zinc/75/11/42/384751142.db2.gz BFSSKHJCJJDZRB-QWHCGFSZSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060716130 384752663 /nfs/dbraw/zinc/75/26/63/384752663.db2.gz BFSSKHJCJJDZRB-STQMWFEESA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716294 323099796 /nfs/dbraw/zinc/09/97/96/323099796.db2.gz VKFJGNKPYQAZBD-DGCLKSJQSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716296 322858222 /nfs/dbraw/zinc/85/82/22/322858222.db2.gz VKFJGNKPYQAZBD-YPMHNXCESA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716297 322858238 /nfs/dbraw/zinc/85/82/38/322858238.db2.gz VKFJGNKPYQAZBD-WCQYABFASA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716299 384751530 /nfs/dbraw/zinc/75/15/30/384751530.db2.gz VKFJGNKPYQAZBD-AAEUAGOBSA-N 1 0 223.747 3.586 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060716378 322858205 /nfs/dbraw/zinc/85/82/05/322858205.db2.gz FASPSCKNTBKVNJ-ZIAGYGMSSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060716380 384752656 /nfs/dbraw/zinc/75/26/56/384752656.db2.gz FASPSCKNTBKVNJ-KGLIPLIRSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060716382 322858412 /nfs/dbraw/zinc/85/84/12/322858412.db2.gz FASPSCKNTBKVNJ-UONOGXRCSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060716385 322858226 /nfs/dbraw/zinc/85/82/26/322858226.db2.gz FASPSCKNTBKVNJ-KBPBESRZSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000060716457 322858218 /nfs/dbraw/zinc/85/82/18/322858218.db2.gz XKHKWGKFTUTBLM-HUUCEWRRSA-N 1 0 217.356 3.631 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000060716462 322858289 /nfs/dbraw/zinc/85/82/89/322858289.db2.gz XKHKWGKFTUTBLM-CABCVRRESA-N 1 0 217.356 3.631 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000060716464 322858240 /nfs/dbraw/zinc/85/82/40/322858240.db2.gz XKHKWGKFTUTBLM-LSDHHAIUSA-N 1 0 217.356 3.631 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000060716465 322858247 /nfs/dbraw/zinc/85/82/47/322858247.db2.gz XKHKWGKFTUTBLM-GJZGRUSLSA-N 1 0 217.356 3.631 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000060716484 322858230 /nfs/dbraw/zinc/85/82/30/322858230.db2.gz FMBAZEAUWKCVHK-HZPDHXFCSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000060716487 384751547 /nfs/dbraw/zinc/75/15/47/384751547.db2.gz FMBAZEAUWKCVHK-CVEARBPZSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000060716488 322858411 /nfs/dbraw/zinc/85/84/11/322858411.db2.gz FMBAZEAUWKCVHK-JKSUJKDBSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000060716492 322858215 /nfs/dbraw/zinc/85/82/15/322858215.db2.gz FMBAZEAUWKCVHK-HOTGVXAUSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716588 322858409 /nfs/dbraw/zinc/85/84/09/322858409.db2.gz CXVYBRJJXMRGIW-TZMCWYRMSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716591 384752753 /nfs/dbraw/zinc/75/27/53/384752753.db2.gz CXVYBRJJXMRGIW-OCCSQVGLSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716594 384751735 /nfs/dbraw/zinc/75/17/35/384751735.db2.gz CXVYBRJJXMRGIW-GXTWGEPZSA-N 1 0 237.774 3.976 20 0 BHADRO CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716596 384751242 /nfs/dbraw/zinc/75/12/42/384751242.db2.gz CXVYBRJJXMRGIW-JSGCOSHPSA-N 1 0 237.774 3.976 20 0 BHADRO CCC(CC)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717485 384751670 /nfs/dbraw/zinc/75/16/70/384751670.db2.gz JNUCXWACRHFZFR-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717552 322858207 /nfs/dbraw/zinc/85/82/07/322858207.db2.gz QOGWPVCEJLZTRQ-LLVKDONJSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717555 384751957 /nfs/dbraw/zinc/75/19/57/384751957.db2.gz QOGWPVCEJLZTRQ-NSHDSACASA-N 1 0 241.325 3.532 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717705 169359817 /nfs/dbraw/zinc/35/98/17/169359817.db2.gz ACGFLCHHXJIPKY-LLVKDONJSA-N 1 0 241.325 3.533 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717707 384749861 /nfs/dbraw/zinc/74/98/61/384749861.db2.gz ACGFLCHHXJIPKY-NSHDSACASA-N 1 0 241.325 3.533 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717719 384751944 /nfs/dbraw/zinc/75/19/44/384751944.db2.gz CIGXNSYLOMVPRE-GHMZBOCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717721 384751688 /nfs/dbraw/zinc/75/16/88/384751688.db2.gz CIGXNSYLOMVPRE-WDEREUQCSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717723 322858214 /nfs/dbraw/zinc/85/82/14/322858214.db2.gz CIGXNSYLOMVPRE-MNOVXSKESA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717725 322858255 /nfs/dbraw/zinc/85/82/55/322858255.db2.gz CIGXNSYLOMVPRE-QWRGUYRKSA-N 1 0 241.325 3.532 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717933 343046132 /nfs/dbraw/zinc/04/61/32/343046132.db2.gz VPTZFMRTARBPQO-LLVKDONJSA-N 1 0 241.325 3.676 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717935 343046348 /nfs/dbraw/zinc/04/63/48/343046348.db2.gz VPTZFMRTARBPQO-NSHDSACASA-N 1 0 241.325 3.676 20 0 BHADRO CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)C(C)C ZINC000060717938 384751317 /nfs/dbraw/zinc/75/13/17/384751317.db2.gz LTSPHFGKAJHPJE-AWEZNQCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C(C)C ZINC000060717940 384751484 /nfs/dbraw/zinc/75/14/84/384751484.db2.gz LTSPHFGKAJHPJE-CQSZACIVSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718329 384751874 /nfs/dbraw/zinc/75/18/74/384751874.db2.gz NLEGFTOIJOVDCV-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH+]1CCCCC1 ZINC000060755225 368551287 /nfs/dbraw/zinc/55/12/87/368551287.db2.gz QECRCCXOLSHZLX-OAHLLOKOSA-N 1 0 215.340 3.550 20 0 BHADRO C[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000060755251 369525799 /nfs/dbraw/zinc/52/57/99/369525799.db2.gz PBIMSZKHFCHKJN-BBRMVZONSA-N 1 0 229.367 3.796 20 0 BHADRO CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000060755273 368551238 /nfs/dbraw/zinc/55/12/38/368551238.db2.gz SKRZTAYRNDWYOY-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](Cc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000060755324 324047501 /nfs/dbraw/zinc/04/75/01/324047501.db2.gz NTBTWKISDMPBNO-MRXNPFEDSA-N 1 0 241.334 3.789 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)c(C)c1 ZINC000060841963 368554206 /nfs/dbraw/zinc/55/42/06/368554206.db2.gz PAACMBVUXCJVPI-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CC[C@@H](c1ccccc1)N(C)Cc1cscn1 ZINC000060876768 324051753 /nfs/dbraw/zinc/05/17/53/324051753.db2.gz PXSUQFPTCDNRBY-AWEZNQCLSA-N 1 0 246.379 3.726 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000060876784 344461733 /nfs/dbraw/zinc/46/17/33/344461733.db2.gz XTPORUWDGMFMBL-HIFRSBDPSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000060876913 368555213 /nfs/dbraw/zinc/55/52/13/368555213.db2.gz VFLNYPDWTWARCB-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060877287 368555221 /nfs/dbraw/zinc/55/52/21/368555221.db2.gz BLYJEUCGGUULDM-ZDUSSCGKSA-N 1 0 209.377 3.853 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000060958600 411439866 /nfs/dbraw/zinc/43/98/66/411439866.db2.gz FVLRKBDRXBBHJO-AWEZNQCLSA-N 1 0 203.329 3.542 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000060958895 368556810 /nfs/dbraw/zinc/55/68/10/368556810.db2.gz JXPMPEZNQVZPTD-HNNXBMFYSA-N 1 0 217.356 3.932 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000060960384 368557339 /nfs/dbraw/zinc/55/73/39/368557339.db2.gz STSOEHYOZRJBLY-OAHLLOKOSA-N 1 0 233.355 3.632 20 0 BHADRO C[N@H+](CC1CCCC1)CC1CCCCC1 ZINC000060960986 411439733 /nfs/dbraw/zinc/43/97/33/411439733.db2.gz YUHKVBWEDSFLJK-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000060961071 411439738 /nfs/dbraw/zinc/43/97/38/411439738.db2.gz APOOJIGMVVAFDU-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO C[N@@H+](Cc1ccccc1Cl)CC1CCCC1 ZINC000060961091 411439780 /nfs/dbraw/zinc/43/97/80/411439780.db2.gz UDPGRUJSXJCWJU-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO Cc1ccccc1C[N@H+](C)CC1CCCC1 ZINC000060961355 343721816 /nfs/dbraw/zinc/72/18/16/343721816.db2.gz CQENAZAVXXXPJU-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC[N@@H+](Cc1cccs1)CC1CCCC1 ZINC000060961730 368557108 /nfs/dbraw/zinc/55/71/08/368557108.db2.gz KIRMHKOEYLFRHQ-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO CCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000060972553 368556730 /nfs/dbraw/zinc/55/67/30/368556730.db2.gz FTSXYIKVUQBCCY-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO CCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000060973199 411504600 /nfs/dbraw/zinc/50/46/00/411504600.db2.gz ZJNJQVTXMYHFHG-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO c1ccc(C[C@@H]2CCC[N@H+]2CC2CCCC2)cc1 ZINC000060974458 368557062 /nfs/dbraw/zinc/55/70/62/368557062.db2.gz VFKJNSRAPHYZKH-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000060975240 411181503 /nfs/dbraw/zinc/18/15/03/411181503.db2.gz RLEMXRNFKKOCQI-UHFFFAOYSA-N 1 0 217.356 3.666 20 0 BHADRO CCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000060975894 368557385 /nfs/dbraw/zinc/55/73/85/368557385.db2.gz TWGOKLSGRWXFEV-UHFFFAOYSA-N 1 0 213.324 3.682 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)CC1CCCC1 ZINC000060975939 368556891 /nfs/dbraw/zinc/55/68/91/368556891.db2.gz JOSBYCFLZBFHCQ-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO C[N@H+](CCCOc1ccccc1)CC1CCCC1 ZINC000060976358 368556785 /nfs/dbraw/zinc/55/67/85/368556785.db2.gz YNPGCELRYXKREN-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000060976537 640906724 /nfs/dbraw/zinc/90/67/24/640906724.db2.gz YVRLZQRAJJEVSB-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000060977180 368556988 /nfs/dbraw/zinc/55/69/88/368556988.db2.gz SRFVELFKEOIYQG-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000060977323 368557199 /nfs/dbraw/zinc/55/71/99/368557199.db2.gz BGFUCVLUBCVGJN-UHFFFAOYSA-N 1 0 219.372 3.826 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000060977814 368557299 /nfs/dbraw/zinc/55/72/99/368557299.db2.gz RLSHUGJOTXIMSU-CYBMUJFWSA-N 1 0 205.345 3.697 20 0 BHADRO C[N@@H+](Cc1cccc(Cl)c1)CC1CCCC1 ZINC000060977891 411441277 /nfs/dbraw/zinc/44/12/77/411441277.db2.gz VJUSWKSTKAJANU-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000060977893 368556585 /nfs/dbraw/zinc/55/65/85/368556585.db2.gz KKHXCJSKDKRVDC-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)cc1)CC1CCCC1 ZINC000060978310 411440765 /nfs/dbraw/zinc/44/07/65/411440765.db2.gz SHGCKPSMWDTBBK-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000060978313 368557121 /nfs/dbraw/zinc/55/71/21/368557121.db2.gz JTYUBYOYRRZXFW-UHFFFAOYSA-N 1 0 205.345 3.652 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1Cl ZINC000060979414 368556930 /nfs/dbraw/zinc/55/69/30/368556930.db2.gz NKLXEBDJAHKNQU-UHFFFAOYSA-N 1 0 211.736 3.572 20 0 BHADRO CCC[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000060979533 411504308 /nfs/dbraw/zinc/50/43/08/411504308.db2.gz TVCUAGFULGARLQ-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO C[N@H+](CCCc1ccccc1)CC1CCCC1 ZINC000060997084 368557730 /nfs/dbraw/zinc/55/77/30/368557730.db2.gz KGTPSUSARFTFFZ-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO Cc1ccccc1CC[NH2+]Cc1ccc(Cl)o1 ZINC000061014203 324054137 /nfs/dbraw/zinc/05/41/37/324054137.db2.gz UHKXMXCTTDJCRC-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccc(Cl)c2)o1 ZINC000061014234 640909664 /nfs/dbraw/zinc/90/96/64/640909664.db2.gz WKVQZADTPHIQDW-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(Cl)o1 ZINC000061030181 350501028 /nfs/dbraw/zinc/50/10/28/350501028.db2.gz WHQOHKVGFBNBGM-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO CCCCOCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000061039954 368557775 /nfs/dbraw/zinc/55/77/75/368557775.db2.gz JHHBDTVCWGNOCX-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO C=C(Cl)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000061039975 640911954 /nfs/dbraw/zinc/91/19/54/640911954.db2.gz NFXUEVCSDFQNRS-NSHDSACASA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000061040031 640912084 /nfs/dbraw/zinc/91/20/84/640912084.db2.gz PEVVAVHSJUPMTE-OKPNEXGHSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000061110630 411505557 /nfs/dbraw/zinc/50/55/57/411505557.db2.gz TVFZDBAKBMBANG-ZDUSSCGKSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000061111405 411151489 /nfs/dbraw/zinc/15/14/89/411151489.db2.gz WJOVNOPCPZFSHL-AWEZNQCLSA-N 1 0 231.383 3.943 20 0 BHADRO c1cc2cnccc2c(C[NH2+]C2CCCCC2)c1 ZINC000061124772 487606700 /nfs/dbraw/zinc/60/67/00/487606700.db2.gz DRCQNKHJEHANJI-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO c1ccc(C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000061124797 487606541 /nfs/dbraw/zinc/60/65/41/487606541.db2.gz HGJQJWWHTSNMEA-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO CCCCC[NH2+]Cc1cccc2cnccc21 ZINC000061124804 487606392 /nfs/dbraw/zinc/60/63/92/487606392.db2.gz OXYBMIAGDXTSPG-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CCCCCC[NH2+]Cc1cccc2cnccc21 ZINC000061125009 640926656 /nfs/dbraw/zinc/92/66/56/640926656.db2.gz SHAPCHGTPATRGS-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO c1cc2cnccc2c(C[NH2+]CC2CCCC2)c1 ZINC000061125100 487606459 /nfs/dbraw/zinc/60/64/59/487606459.db2.gz UJBOPPORQLAMAA-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000061125430 488172059 /nfs/dbraw/zinc/17/20/59/488172059.db2.gz KTSVBVHGXHIIEB-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO c1ccc(C[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000061163071 411153570 /nfs/dbraw/zinc/15/35/70/411153570.db2.gz SSHHZBNKAUJMAW-UHFFFAOYSA-N 1 0 229.367 3.984 20 0 BHADRO Cc1cccc(C)c1OCC[N@@H+](C(C)C)C1CC1 ZINC000061164727 360596022 /nfs/dbraw/zinc/59/60/22/360596022.db2.gz BCHICSTYZMJORY-UHFFFAOYSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C(C)C)C2CC2)c1 ZINC000061165849 368559855 /nfs/dbraw/zinc/55/98/55/368559855.db2.gz PKTUYBNZMIFTHM-UHFFFAOYSA-N 1 0 217.356 3.676 20 0 BHADRO CC(C)[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000061166339 324059350 /nfs/dbraw/zinc/05/93/50/324059350.db2.gz PLJIESQHUGDEGS-RMKNXTFCSA-N 1 0 215.340 3.573 20 0 BHADRO COc1cccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c1 ZINC000061185455 368560764 /nfs/dbraw/zinc/56/07/64/368560764.db2.gz SXXVNRQUQHADQH-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000061253789 368560491 /nfs/dbraw/zinc/56/04/91/368560491.db2.gz RTGMXQRILQVEPU-UHFFFAOYSA-N 1 0 211.736 3.572 20 0 BHADRO CC[N@H+](C/C=C/Cl)Cc1cccc(Cl)c1 ZINC000061254165 640943281 /nfs/dbraw/zinc/94/32/81/640943281.db2.gz MAHWVPGOCLGIKD-QPJJXVBHSA-N 1 0 244.165 3.914 20 0 BHADRO CCC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061254828 368560646 /nfs/dbraw/zinc/56/06/46/368560646.db2.gz BOYCOGQELFJHDR-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000061255421 368560309 /nfs/dbraw/zinc/56/03/09/368560309.db2.gz FLLRUFRYESDDBC-CYBMUJFWSA-N 1 0 205.345 3.788 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000061255850 411155281 /nfs/dbraw/zinc/15/52/81/411155281.db2.gz NHUOPZXDVOMTTA-CQSZACIVSA-N 1 0 217.356 3.954 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000061255853 411154907 /nfs/dbraw/zinc/15/49/07/411154907.db2.gz VCOXTYRPOUBDHP-CYBMUJFWSA-N 1 0 205.345 3.644 20 0 BHADRO CC[N@H+](Cc1ccccc1C)C1CCCC1 ZINC000061256045 368560158 /nfs/dbraw/zinc/56/01/58/368560158.db2.gz QVNYWGLTFWAKPX-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO CC[N@H+](CC1CCCCC1)C1CCCC1 ZINC000061256068 411505968 /nfs/dbraw/zinc/50/59/68/411505968.db2.gz DZTZMLGFHZNJJE-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)C1CCCC1 ZINC000061256313 349373098 /nfs/dbraw/zinc/37/30/98/349373098.db2.gz SDEZJUWJEVFEND-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO CC[N@H+](Cc1cc(C)ccc1OC)C1CCCC1 ZINC000061256317 349373231 /nfs/dbraw/zinc/37/32/31/349373231.db2.gz JLHDLXGBLJJQPA-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061324183 385111891 /nfs/dbraw/zinc/11/18/91/385111891.db2.gz HOFDUWAWUPJLHU-GFCCVEGCSA-N 1 0 233.336 3.508 20 0 BHADRO c1coc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061324186 385113425 /nfs/dbraw/zinc/11/34/25/385113425.db2.gz HOFDUWAWUPJLHU-LBPRGKRZSA-N 1 0 233.336 3.508 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061324271 170756693 /nfs/dbraw/zinc/75/66/93/170756693.db2.gz JRHWDHCMMUNKEN-MWLCHTKSSA-N 1 0 209.358 3.514 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061324273 171347571 /nfs/dbraw/zinc/34/75/71/171347571.db2.gz JRHWDHCMMUNKEN-GXSJLCMTSA-N 1 0 209.358 3.514 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061324275 384394494 /nfs/dbraw/zinc/39/44/94/384394494.db2.gz JRHWDHCMMUNKEN-KOLCDFICSA-N 1 0 209.358 3.514 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061324276 171348448 /nfs/dbraw/zinc/34/84/48/171348448.db2.gz JRHWDHCMMUNKEN-ONGXEEELSA-N 1 0 209.358 3.514 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000061324283 183373084 /nfs/dbraw/zinc/37/30/84/183373084.db2.gz LHIQIQXAMGKTGU-GFCCVEGCSA-N 1 0 221.369 3.658 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000061324288 183373937 /nfs/dbraw/zinc/37/39/37/183373937.db2.gz LHIQIQXAMGKTGU-LBPRGKRZSA-N 1 0 221.369 3.658 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2sccc21 ZINC000061324292 350510341 /nfs/dbraw/zinc/51/03/41/350510341.db2.gz PBMRQFGAMISFLE-GFCCVEGCSA-N 1 0 223.385 3.904 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2sccc21 ZINC000061324294 350510637 /nfs/dbraw/zinc/51/06/37/350510637.db2.gz PBMRQFGAMISFLE-LBPRGKRZSA-N 1 0 223.385 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1ccccc1 ZINC000061324323 384395742 /nfs/dbraw/zinc/39/57/42/384395742.db2.gz NJSXYOVHVDXMPK-CQSZACIVSA-N 1 0 243.375 3.915 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1ccccc1 ZINC000061324325 384395164 /nfs/dbraw/zinc/39/51/64/384395164.db2.gz NJSXYOVHVDXMPK-AWEZNQCLSA-N 1 0 243.375 3.915 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324353 134796816 /nfs/dbraw/zinc/79/68/16/134796816.db2.gz UYSBECOKODAJBC-GFCCVEGCSA-N 1 0 223.385 3.905 20 0 BHADRO CCCCC[NH2+][C@H]1CCCc2sccc21 ZINC000061324357 350510717 /nfs/dbraw/zinc/51/07/17/350510717.db2.gz UYSBECOKODAJBC-LBPRGKRZSA-N 1 0 223.385 3.905 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061324365 134797593 /nfs/dbraw/zinc/79/75/93/134797593.db2.gz KEPXSUYNXAOQLF-ZYHUDNBSSA-N 1 0 223.385 3.904 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061324366 350510598 /nfs/dbraw/zinc/51/05/98/350510598.db2.gz KEPXSUYNXAOQLF-CMPLNLGQSA-N 1 0 223.385 3.904 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061324369 350510658 /nfs/dbraw/zinc/51/06/58/350510658.db2.gz KEPXSUYNXAOQLF-PWSUYJOCSA-N 1 0 223.385 3.904 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061324371 134796941 /nfs/dbraw/zinc/79/69/41/134796941.db2.gz KEPXSUYNXAOQLF-JQWIXIFHSA-N 1 0 223.385 3.904 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324458 350510722 /nfs/dbraw/zinc/51/07/22/350510722.db2.gz GZHZBGLPYSKNMP-LLVKDONJSA-N 1 0 209.358 3.515 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000061324460 350510400 /nfs/dbraw/zinc/51/04/00/350510400.db2.gz GZHZBGLPYSKNMP-NSHDSACASA-N 1 0 209.358 3.515 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324513 350510688 /nfs/dbraw/zinc/51/06/88/350510688.db2.gz DGQPWHFSQUUYQL-GFCCVEGCSA-N 1 0 223.385 3.761 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCCc2sccc21 ZINC000061324515 350510614 /nfs/dbraw/zinc/51/06/14/350510614.db2.gz DGQPWHFSQUUYQL-LBPRGKRZSA-N 1 0 223.385 3.761 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000061325141 358933154 /nfs/dbraw/zinc/93/31/54/358933154.db2.gz UCPPPJZAPYYNEX-CYBMUJFWSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000061325144 134796997 /nfs/dbraw/zinc/79/69/97/134796997.db2.gz UCPPPJZAPYYNEX-ZDUSSCGKSA-N 1 0 247.407 3.904 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061325214 640952715 /nfs/dbraw/zinc/95/27/15/640952715.db2.gz VJXRSADGBMHZQG-GFCCVEGCSA-N 1 0 249.404 3.977 20 0 BHADRO c1csc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061325216 640952643 /nfs/dbraw/zinc/95/26/43/640952643.db2.gz VJXRSADGBMHZQG-LBPRGKRZSA-N 1 0 249.404 3.977 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061325551 167383218 /nfs/dbraw/zinc/38/32/18/167383218.db2.gz SFASMBBQMJTKMV-ZYHUDNBSSA-N 1 0 223.385 3.760 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061325553 640952869 /nfs/dbraw/zinc/95/28/69/640952869.db2.gz SFASMBBQMJTKMV-CMPLNLGQSA-N 1 0 223.385 3.760 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061325555 167385924 /nfs/dbraw/zinc/38/59/24/167385924.db2.gz SFASMBBQMJTKMV-PWSUYJOCSA-N 1 0 223.385 3.760 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061325556 640951767 /nfs/dbraw/zinc/95/17/67/640951767.db2.gz SFASMBBQMJTKMV-JQWIXIFHSA-N 1 0 223.385 3.760 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CC1CCC1 ZINC000061325637 350510478 /nfs/dbraw/zinc/51/04/78/350510478.db2.gz VPXIBWCYWGYQOM-GFCCVEGCSA-N 1 0 221.369 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1CCC1 ZINC000061325640 134797022 /nfs/dbraw/zinc/79/70/22/134797022.db2.gz VPXIBWCYWGYQOM-LBPRGKRZSA-N 1 0 221.369 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CC1CCCC1 ZINC000061325663 358933103 /nfs/dbraw/zinc/93/31/03/358933103.db2.gz QWPNDCYPYAOGDS-CYBMUJFWSA-N 1 0 235.396 3.905 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1CCCC1 ZINC000061325664 134797369 /nfs/dbraw/zinc/79/73/69/134797369.db2.gz QWPNDCYPYAOGDS-ZDUSSCGKSA-N 1 0 235.396 3.905 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061325746 358932830 /nfs/dbraw/zinc/93/28/30/358932830.db2.gz ZVCDIGNAZOFHAW-CYBMUJFWSA-N 1 0 247.363 3.551 20 0 BHADRO c1coc(CC[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061325748 358933108 /nfs/dbraw/zinc/93/31/08/358933108.db2.gz ZVCDIGNAZOFHAW-ZDUSSCGKSA-N 1 0 247.363 3.551 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000061325751 176898778 /nfs/dbraw/zinc/89/87/78/176898778.db2.gz GTXGAMIOKWZCHU-JOYOIKCWSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000061325754 175915274 /nfs/dbraw/zinc/91/52/74/175915274.db2.gz GTXGAMIOKWZCHU-BXKDBHETSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000061325756 386505254 /nfs/dbraw/zinc/50/52/54/386505254.db2.gz GTXGAMIOKWZCHU-CABZTGNLSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000061325759 386504926 /nfs/dbraw/zinc/50/49/26/386504926.db2.gz GTXGAMIOKWZCHU-SKDRFNHKSA-N 1 0 221.369 3.514 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061328709 640954656 /nfs/dbraw/zinc/95/46/56/640954656.db2.gz SXFBYJIFCYWTFR-LLVKDONJSA-N 1 0 223.385 3.761 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCc2sccc21 ZINC000061328711 640953599 /nfs/dbraw/zinc/95/35/99/640953599.db2.gz SXFBYJIFCYWTFR-NSHDSACASA-N 1 0 223.385 3.761 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061329210 350511190 /nfs/dbraw/zinc/51/11/90/350511190.db2.gz VXINEDPSDBJEBQ-PWSUYJOCSA-N 1 0 221.369 3.514 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061329213 350511305 /nfs/dbraw/zinc/51/13/05/350511305.db2.gz VXINEDPSDBJEBQ-ZYHUDNBSSA-N 1 0 221.369 3.514 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000061329215 350511323 /nfs/dbraw/zinc/51/13/23/350511323.db2.gz VXINEDPSDBJEBQ-JQWIXIFHSA-N 1 0 221.369 3.514 20 0 BHADRO CC1(C)C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000061329217 534933176 /nfs/dbraw/zinc/93/31/76/534933176.db2.gz VXINEDPSDBJEBQ-CMPLNLGQSA-N 1 0 221.369 3.514 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCc3sccc32)o1 ZINC000061329426 386451085 /nfs/dbraw/zinc/45/10/85/386451085.db2.gz VXFRVBKZUPOXPK-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCc3sccc32)o1 ZINC000061329428 386450928 /nfs/dbraw/zinc/45/09/28/386450928.db2.gz VXFRVBKZUPOXPK-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061329492 350511618 /nfs/dbraw/zinc/51/16/18/350511618.db2.gz PJECSIKLCZRDRE-ZYHUDNBSSA-N 1 0 223.385 3.761 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061329498 134797169 /nfs/dbraw/zinc/79/71/69/134797169.db2.gz PJECSIKLCZRDRE-CMPLNLGQSA-N 1 0 223.385 3.761 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCc2sccc21 ZINC000061329501 350511829 /nfs/dbraw/zinc/51/18/29/350511829.db2.gz PJECSIKLCZRDRE-PWSUYJOCSA-N 1 0 223.385 3.761 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCc2sccc21 ZINC000061329504 350512001 /nfs/dbraw/zinc/51/20/01/350512001.db2.gz PJECSIKLCZRDRE-JQWIXIFHSA-N 1 0 223.385 3.761 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCc3sccc32)cs1 ZINC000061331014 183352714 /nfs/dbraw/zinc/35/27/14/183352714.db2.gz ATMAINJWQFPWAH-GFCCVEGCSA-N 1 0 249.404 3.977 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCc3sccc32)cs1 ZINC000061331016 183353031 /nfs/dbraw/zinc/35/30/31/183353031.db2.gz ATMAINJWQFPWAH-LBPRGKRZSA-N 1 0 249.404 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1(C)CC1 ZINC000061359961 134797626 /nfs/dbraw/zinc/79/76/26/134797626.db2.gz YPBNPKHUAZMVFI-CMPLNLGQSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1(C)CC1 ZINC000061359962 358932743 /nfs/dbraw/zinc/93/27/43/358932743.db2.gz YPBNPKHUAZMVFI-ZYHUDNBSSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)C1(C)CC1 ZINC000061359963 134797650 /nfs/dbraw/zinc/79/76/50/134797650.db2.gz YPBNPKHUAZMVFI-JQWIXIFHSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1(C)CC1 ZINC000061359964 358933302 /nfs/dbraw/zinc/93/33/02/358933302.db2.gz YPBNPKHUAZMVFI-PWSUYJOCSA-N 1 0 235.396 3.904 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1ccsc1 ZINC000061360635 386509224 /nfs/dbraw/zinc/50/92/24/386509224.db2.gz RSVIZKRCMAGNIK-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1ccsc1 ZINC000061360636 386508041 /nfs/dbraw/zinc/50/80/41/386508041.db2.gz RSVIZKRCMAGNIK-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)c1ccsc1 ZINC000061360639 386508196 /nfs/dbraw/zinc/50/81/96/386508196.db2.gz LYMCSCYCMQGIAG-VIFPVBQESA-N 1 0 223.366 3.660 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)c1ccsc1 ZINC000061360640 386508437 /nfs/dbraw/zinc/50/84/37/386508437.db2.gz LYMCSCYCMQGIAG-SECBINFHSA-N 1 0 223.366 3.660 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccsc1 ZINC000061360641 384754266 /nfs/dbraw/zinc/75/42/66/384754266.db2.gz QBONCXLGFQAGJR-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccsc1 ZINC000061360642 322858962 /nfs/dbraw/zinc/85/89/62/322858962.db2.gz QBONCXLGFQAGJR-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000061360875 173948961 /nfs/dbraw/zinc/94/89/61/173948961.db2.gz WJVZIVXKJMYVAP-QWRGUYRKSA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000061360876 385112362 /nfs/dbraw/zinc/11/23/62/385112362.db2.gz WJVZIVXKJMYVAP-MNOVXSKESA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000061360877 385112227 /nfs/dbraw/zinc/11/22/27/385112227.db2.gz WJVZIVXKJMYVAP-WDEREUQCSA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000061360878 173947900 /nfs/dbraw/zinc/94/79/00/173947900.db2.gz WJVZIVXKJMYVAP-GHMZBOCLSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000061360887 487471449 /nfs/dbraw/zinc/47/14/49/487471449.db2.gz DMQSUHLSGQKNIU-MNOVXSKESA-N 1 0 211.374 3.835 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000061360888 487471232 /nfs/dbraw/zinc/47/12/32/487471232.db2.gz DMQSUHLSGQKNIU-QWRGUYRKSA-N 1 0 211.374 3.835 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000061360889 487471435 /nfs/dbraw/zinc/47/14/35/487471435.db2.gz DMQSUHLSGQKNIU-GHMZBOCLSA-N 1 0 211.374 3.835 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000061360890 487471300 /nfs/dbraw/zinc/47/13/00/487471300.db2.gz DMQSUHLSGQKNIU-WDEREUQCSA-N 1 0 211.374 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccsc1 ZINC000061361121 640956376 /nfs/dbraw/zinc/95/63/76/640956376.db2.gz GNXQJXUGRIQOQQ-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccsc1 ZINC000061361122 176915561 /nfs/dbraw/zinc/91/55/61/176915561.db2.gz GNXQJXUGRIQOQQ-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C1(C)CC1 ZINC000061361123 640955517 /nfs/dbraw/zinc/95/55/17/640955517.db2.gz GNXQJXUGRIQOQQ-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccsc1 ZINC000061361124 640955431 /nfs/dbraw/zinc/95/54/31/640955431.db2.gz GNXQJXUGRIQOQQ-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccsc1 ZINC000061361231 385111941 /nfs/dbraw/zinc/11/19/41/385111941.db2.gz ISNMHHKKLUKXJP-NSHDSACASA-N 1 0 243.375 3.566 20 0 BHADRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccsc1 ZINC000061361232 385114109 /nfs/dbraw/zinc/11/41/09/385114109.db2.gz ISNMHHKKLUKXJP-LLVKDONJSA-N 1 0 243.375 3.566 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccsc2)o1 ZINC000061361719 487472007 /nfs/dbraw/zinc/47/20/07/487472007.db2.gz QXOFJVKUGCNNJE-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccsc2)o1 ZINC000061361720 487472026 /nfs/dbraw/zinc/47/20/26/487472026.db2.gz QXOFJVKUGCNNJE-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccsc1 ZINC000061361751 384754212 /nfs/dbraw/zinc/75/42/12/384754212.db2.gz KYDKLVQRENCPKC-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccsc1 ZINC000061361752 384754873 /nfs/dbraw/zinc/75/48/73/384754873.db2.gz KYDKLVQRENCPKC-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C1CCCC1 ZINC000061361753 322858872 /nfs/dbraw/zinc/85/88/72/322858872.db2.gz KYDKLVQRENCPKC-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccsc1 ZINC000061361754 384756148 /nfs/dbraw/zinc/75/61/48/384756148.db2.gz KYDKLVQRENCPKC-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccsc1 ZINC000061362694 384756145 /nfs/dbraw/zinc/75/61/45/384756145.db2.gz BLYKVKIWAFSEJX-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccsc1 ZINC000061362695 384756118 /nfs/dbraw/zinc/75/61/18/384756118.db2.gz BLYKVKIWAFSEJX-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]Cc1ccsc1 ZINC000061559802 358933870 /nfs/dbraw/zinc/93/38/70/358933870.db2.gz ARFJMGHKHYLODB-QPJJXVBHSA-N 1 0 229.348 3.551 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCSC1 ZINC000061571693 343726817 /nfs/dbraw/zinc/72/68/17/343726817.db2.gz BQNMJAKVQBLSDM-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCCSC1 ZINC000061571696 343726910 /nfs/dbraw/zinc/72/69/10/343726910.db2.gz BQNMJAKVQBLSDM-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1CCCSC1 ZINC000061571698 343726845 /nfs/dbraw/zinc/72/68/45/343726845.db2.gz BQNMJAKVQBLSDM-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCCSC1 ZINC000061571700 343726872 /nfs/dbraw/zinc/72/68/72/343726872.db2.gz BQNMJAKVQBLSDM-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571730 179320978 /nfs/dbraw/zinc/32/09/78/179320978.db2.gz KTKPDZFIKNXHQP-CHWSQXEVSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571732 179338764 /nfs/dbraw/zinc/33/87/64/179338764.db2.gz KTKPDZFIKNXHQP-QWHCGFSZSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571735 179322643 /nfs/dbraw/zinc/32/26/43/179322643.db2.gz KTKPDZFIKNXHQP-OLZOCXBDSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571738 179338227 /nfs/dbraw/zinc/33/82/27/179338227.db2.gz KTKPDZFIKNXHQP-STQMWFEESA-N 1 0 235.396 3.541 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000061571874 358934797 /nfs/dbraw/zinc/93/47/97/358934797.db2.gz FAVNSKPHRGGKJN-HIFRSBDPSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000061571875 358935534 /nfs/dbraw/zinc/93/55/34/358935534.db2.gz FAVNSKPHRGGKJN-UKRRQHHQSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000061571879 358935063 /nfs/dbraw/zinc/93/50/63/358935063.db2.gz FAVNSKPHRGGKJN-ZFWWWQNUSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000061571882 358935480 /nfs/dbraw/zinc/93/54/80/358935480.db2.gz FAVNSKPHRGGKJN-DZGCQCFKSA-N 1 0 247.407 3.549 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571940 385123438 /nfs/dbraw/zinc/12/34/38/385123438.db2.gz IEVFVTDEJXOMEI-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571942 166824111 /nfs/dbraw/zinc/82/41/11/166824111.db2.gz IEVFVTDEJXOMEI-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571944 385122555 /nfs/dbraw/zinc/12/25/55/385122555.db2.gz IEVFVTDEJXOMEI-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571947 166825141 /nfs/dbraw/zinc/82/51/41/166825141.db2.gz IEVFVTDEJXOMEI-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000061575206 384754161 /nfs/dbraw/zinc/75/41/61/384754161.db2.gz RMKPHYMUXRVSFU-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000061575210 384754006 /nfs/dbraw/zinc/75/40/06/384754006.db2.gz RMKPHYMUXRVSFU-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000061575212 171832193 /nfs/dbraw/zinc/83/21/93/171832193.db2.gz RMKPHYMUXRVSFU-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000061575213 384754868 /nfs/dbraw/zinc/75/48/68/384754868.db2.gz RMKPHYMUXRVSFU-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061575435 384753630 /nfs/dbraw/zinc/75/36/30/384753630.db2.gz IZTPFLHGWBSYSF-CABCVRRESA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061575437 322858755 /nfs/dbraw/zinc/85/87/55/322858755.db2.gz IZTPFLHGWBSYSF-HUUCEWRRSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061575442 384756282 /nfs/dbraw/zinc/75/62/82/384756282.db2.gz IZTPFLHGWBSYSF-GJZGRUSLSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061575445 384753777 /nfs/dbraw/zinc/75/37/77/384753777.db2.gz IZTPFLHGWBSYSF-LSDHHAIUSA-N 1 0 249.423 3.869 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C)cc1 ZINC000061576882 171540462 /nfs/dbraw/zinc/54/04/62/171540462.db2.gz LWYNVPDSTHAJDP-CABCVRRESA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C)cc1 ZINC000061576887 358935124 /nfs/dbraw/zinc/93/51/24/358935124.db2.gz LWYNVPDSTHAJDP-HUUCEWRRSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc(C)cc1 ZINC000061576889 171547264 /nfs/dbraw/zinc/54/72/64/171547264.db2.gz LWYNVPDSTHAJDP-GJZGRUSLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(C)cc1 ZINC000061576906 170913947 /nfs/dbraw/zinc/91/39/47/170913947.db2.gz LWYNVPDSTHAJDP-LSDHHAIUSA-N 1 0 249.423 3.931 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CCCSC2)C2CC2)cc1 ZINC000061577818 183430094 /nfs/dbraw/zinc/43/00/94/183430094.db2.gz HCRKRWKTJFORKV-CABCVRRESA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CCCSC2)C2CC2)cc1 ZINC000061577821 385122304 /nfs/dbraw/zinc/12/23/04/385122304.db2.gz HCRKRWKTJFORKV-HUUCEWRRSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CCCSC2)C2CC2)cc1 ZINC000061577823 385121633 /nfs/dbraw/zinc/12/16/33/385121633.db2.gz HCRKRWKTJFORKV-GJZGRUSLSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CCCSC2)C2CC2)cc1 ZINC000061577825 385123388 /nfs/dbraw/zinc/12/33/88/385123388.db2.gz HCRKRWKTJFORKV-LSDHHAIUSA-N 1 0 247.407 3.623 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000061578612 322858969 /nfs/dbraw/zinc/85/89/69/322858969.db2.gz VOBIZEYJZNGTJS-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000061578616 384754149 /nfs/dbraw/zinc/75/41/49/384754149.db2.gz VOBIZEYJZNGTJS-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000061578618 384755021 /nfs/dbraw/zinc/75/50/21/384755021.db2.gz VOBIZEYJZNGTJS-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000061578619 322858911 /nfs/dbraw/zinc/85/89/11/322858911.db2.gz VOBIZEYJZNGTJS-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061587950 711839016 /nfs/dbraw/zinc/83/90/16/711839016.db2.gz IXNVTTBABVOLSJ-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061587951 711839074 /nfs/dbraw/zinc/83/90/74/711839074.db2.gz IXNVTTBABVOLSJ-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061587952 711839093 /nfs/dbraw/zinc/83/90/93/711839093.db2.gz IXNVTTBABVOLSJ-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000061588407 134799075 /nfs/dbraw/zinc/79/90/75/134799075.db2.gz CFOVYDFNHFQQOT-TZMCWYRMSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000061588408 358935137 /nfs/dbraw/zinc/93/51/37/358935137.db2.gz CFOVYDFNHFQQOT-GXTWGEPZSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000061588409 358935011 /nfs/dbraw/zinc/93/50/11/358935011.db2.gz CFOVYDFNHFQQOT-OCCSQVGLSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000061588410 134798725 /nfs/dbraw/zinc/79/87/25/134798725.db2.gz CFOVYDFNHFQQOT-JSGCOSHPSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)c(C)c1 ZINC000061588425 384756221 /nfs/dbraw/zinc/75/62/21/384756221.db2.gz IXGAQVJOAOARDX-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)c(C)c1 ZINC000061588426 384755608 /nfs/dbraw/zinc/75/56/08/384755608.db2.gz IXGAQVJOAOARDX-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)c(C)c1 ZINC000061588427 322858956 /nfs/dbraw/zinc/85/89/56/322858956.db2.gz IXGAQVJOAOARDX-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)c(C)c1 ZINC000061588428 322858961 /nfs/dbraw/zinc/85/89/61/322858961.db2.gz IXGAQVJOAOARDX-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)s1 ZINC000061589156 386521927 /nfs/dbraw/zinc/52/19/27/386521927.db2.gz RAMIOIBSDDNSDF-GHMZBOCLSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)s1 ZINC000061589157 386524406 /nfs/dbraw/zinc/52/44/06/386524406.db2.gz RAMIOIBSDDNSDF-WDEREUQCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)s1 ZINC000061589158 178849192 /nfs/dbraw/zinc/84/91/92/178849192.db2.gz RAMIOIBSDDNSDF-MNOVXSKESA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)s1 ZINC000061589159 178900133 /nfs/dbraw/zinc/90/01/33/178900133.db2.gz RAMIOIBSDDNSDF-QWRGUYRKSA-N 1 0 241.425 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1cccs1 ZINC000061589202 386524257 /nfs/dbraw/zinc/52/42/57/386524257.db2.gz SOZJGKJBFLDDLL-MNOVXSKESA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1cccs1 ZINC000061589203 350518726 /nfs/dbraw/zinc/51/87/26/350518726.db2.gz SOZJGKJBFLDDLL-GHMZBOCLSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)c1cccs1 ZINC000061589204 386524438 /nfs/dbraw/zinc/52/44/38/386524438.db2.gz SOZJGKJBFLDDLL-QWRGUYRKSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1cccs1 ZINC000061589205 350518686 /nfs/dbraw/zinc/51/86/86/350518686.db2.gz SOZJGKJBFLDDLL-WDEREUQCSA-N 1 0 241.425 3.684 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061589222 384756317 /nfs/dbraw/zinc/75/63/17/384756317.db2.gz UFTQHVFRWKZXDC-JXQTWKCFSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061589223 322858926 /nfs/dbraw/zinc/85/89/26/322858926.db2.gz UFTQHVFRWKZXDC-RUXDESIVSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000061589370 384754318 /nfs/dbraw/zinc/75/43/18/384754318.db2.gz JYWMJAKXBNRTLT-OAHLLOKOSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000061589371 384754225 /nfs/dbraw/zinc/75/42/25/384754225.db2.gz JYWMJAKXBNRTLT-HNNXBMFYSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061589510 358935146 /nfs/dbraw/zinc/93/51/46/358935146.db2.gz ITFVQRHQDLLHNM-KGLIPLIRSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061589511 535808351 /nfs/dbraw/zinc/80/83/51/535808351.db2.gz ITFVQRHQDLLHNM-ZIAGYGMSSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061589512 358934899 /nfs/dbraw/zinc/93/48/99/358934899.db2.gz ITFVQRHQDLLHNM-KBPBESRZSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061589513 358935053 /nfs/dbraw/zinc/93/50/53/358935053.db2.gz ITFVQRHQDLLHNM-UONOGXRCSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000061589582 322859184 /nfs/dbraw/zinc/85/91/84/322859184.db2.gz ZYXYBRNTCZDIPZ-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000061589583 322859257 /nfs/dbraw/zinc/85/92/57/322859257.db2.gz ZYXYBRNTCZDIPZ-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000061589584 322859181 /nfs/dbraw/zinc/85/91/81/322859181.db2.gz ZYXYBRNTCZDIPZ-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000061589585 384753840 /nfs/dbraw/zinc/75/38/40/384753840.db2.gz ZYXYBRNTCZDIPZ-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CCCCN(C)Cc1nc(Cl)ccc1Cl ZINC000061630356 711839109 /nfs/dbraw/zinc/83/91/09/711839109.db2.gz CKFFVIODCFXTET-UHFFFAOYSA-N 1 0 247.169 3.620 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000061630394 711839076 /nfs/dbraw/zinc/83/90/76/711839076.db2.gz HIOXOABKCFXKFA-MRVPVSSYSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000061630395 711839088 /nfs/dbraw/zinc/83/90/88/711839088.db2.gz HIOXOABKCFXKFA-QMMMGPOBSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680707 385132036 /nfs/dbraw/zinc/13/20/36/385132036.db2.gz QPJGAEHMJOPAPD-LLVKDONJSA-N 1 0 246.379 3.698 20 0 BHADRO CC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680708 171343697 /nfs/dbraw/zinc/34/36/97/171343697.db2.gz QPJGAEHMJOPAPD-NSHDSACASA-N 1 0 246.379 3.698 20 0 BHADRO Cc1ccc(C2(C[NH2+]C(C)C)CCC2)cc1C ZINC000061682139 384756602 /nfs/dbraw/zinc/75/66/02/384756602.db2.gz RLNRXDYFNSAADN-UHFFFAOYSA-N 1 0 231.383 3.723 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000061698877 322859045 /nfs/dbraw/zinc/85/90/45/322859045.db2.gz IQOYGOWRKPLSCU-JTQLQIEISA-N 1 0 241.762 3.798 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000061698878 322859180 /nfs/dbraw/zinc/85/91/80/322859180.db2.gz IQOYGOWRKPLSCU-SNVBAGLBSA-N 1 0 241.762 3.798 20 0 BHADRO CCC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000061703617 322859228 /nfs/dbraw/zinc/85/92/28/322859228.db2.gz KGRJQILIJCXXQY-VIFPVBQESA-N 1 0 247.260 3.646 20 0 BHADRO CCC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000061703618 384755180 /nfs/dbraw/zinc/75/51/80/384755180.db2.gz KGRJQILIJCXXQY-SECBINFHSA-N 1 0 247.260 3.646 20 0 BHADRO CC(C)(C)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000061744389 369035818 /nfs/dbraw/zinc/03/58/18/369035818.db2.gz YMZGTWUSRWSTLR-UHFFFAOYSA-N 1 0 231.383 3.970 20 0 BHADRO FC(F)(F)c1ccccc1C[NH+]1CCCCC1 ZINC000061744432 345904845 /nfs/dbraw/zinc/90/48/45/345904845.db2.gz BNXKZZSDMFEJBE-UHFFFAOYSA-N 1 0 243.272 3.691 20 0 BHADRO Cc1cc(C)cc(C[NH+]2CCCCCC2)c1 ZINC000061744735 368568306 /nfs/dbraw/zinc/56/83/06/368568306.db2.gz GGRMPJYFTYUZIY-UHFFFAOYSA-N 1 0 217.356 3.679 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000061745458 179066858 /nfs/dbraw/zinc/06/68/58/179066858.db2.gz CPBAOYMNVHXSQG-UHFFFAOYSA-N 1 0 225.335 3.627 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)Cc2ccccc2)c1 ZINC000061745461 368567890 /nfs/dbraw/zinc/56/78/90/368567890.db2.gz KYGHFYOZCIHJCG-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1OC ZINC000061745524 369833451 /nfs/dbraw/zinc/83/34/51/369833451.db2.gz SMKRBSKKCVWIJQ-OAHLLOKOSA-N 1 0 247.382 3.768 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000061745525 368568811 /nfs/dbraw/zinc/56/88/11/368568811.db2.gz HWZHJCHRGNJOHB-HNNXBMFYSA-N 1 0 247.382 3.720 20 0 BHADRO C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000061745615 387844954 /nfs/dbraw/zinc/84/49/54/387844954.db2.gz BYRARUCUFSOCLP-UHFFFAOYSA-N 1 0 247.288 3.597 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000061745676 324102564 /nfs/dbraw/zinc/10/25/64/324102564.db2.gz MZYWXBLJOTYFAD-LBPRGKRZSA-N 1 0 244.338 3.592 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)C1CCCCC1 ZINC000061757192 368567794 /nfs/dbraw/zinc/56/77/94/368567794.db2.gz USUCZERJMAOUTG-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO C[N@H+](Cc1nc2ccccc2o1)C1CCCCC1 ZINC000061757200 324103734 /nfs/dbraw/zinc/10/37/34/324103734.db2.gz CTWAXPOWBLEFAA-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000061757219 368567042 /nfs/dbraw/zinc/56/70/42/368567042.db2.gz FWODATLDABSBEU-LBPRGKRZSA-N 1 0 217.356 3.535 20 0 BHADRO CC[NH+](CC)Cc1csc(-c2ccccc2)n1 ZINC000061757320 324103977 /nfs/dbraw/zinc/10/39/77/324103977.db2.gz CPLIOEYIUIEAPM-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO CC[NH+](CC)Cc1ccccc1C(F)(F)F ZINC000061757443 133519348 /nfs/dbraw/zinc/51/93/48/133519348.db2.gz HKJSUFFFWJLIPG-UHFFFAOYSA-N 1 0 231.261 3.547 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(C)C)cc1 ZINC000061757444 360660951 /nfs/dbraw/zinc/66/09/51/360660951.db2.gz FMZHKOSAQGBZKK-UHFFFAOYSA-N 1 0 205.345 3.652 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000061757688 385138181 /nfs/dbraw/zinc/13/81/81/385138181.db2.gz DWOVTCUOJHAEEH-UHFFFAOYSA-N 1 0 245.288 3.937 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000061757689 360662388 /nfs/dbraw/zinc/66/23/88/360662388.db2.gz GCYDIXPIHMHARP-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000061757691 360662041 /nfs/dbraw/zinc/66/20/41/360662041.db2.gz BTMLUVBXJVGGPN-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO Cc1cc(C)cc(C[NH+]2CCC(C)CC2)c1 ZINC000061758084 368567784 /nfs/dbraw/zinc/56/77/84/368567784.db2.gz GJRNYBUZSLOIFG-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000061758138 368569027 /nfs/dbraw/zinc/56/90/27/368569027.db2.gz GCQVYZLIWBUIBF-UHFFFAOYSA-N 1 0 243.325 3.848 20 0 BHADRO CC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000061758139 368569039 /nfs/dbraw/zinc/56/90/39/368569039.db2.gz PFOVIPRRYLIFCY-UHFFFAOYSA-N 1 0 243.325 3.848 20 0 BHADRO CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000061758228 368568288 /nfs/dbraw/zinc/56/82/88/368568288.db2.gz BBTLYTPSHYCSAG-UHFFFAOYSA-N 1 0 243.325 3.848 20 0 BHADRO Cc1cc(C)cc(OCC[N@H+]2CCCC[C@H]2C)c1 ZINC000061758339 369844975 /nfs/dbraw/zinc/84/49/75/369844975.db2.gz TUERUUUSWIHOSD-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000061758414 368569129 /nfs/dbraw/zinc/56/91/29/368569129.db2.gz XUJCNGPSUUENOE-CQSZACIVSA-N 1 0 217.356 3.678 20 0 BHADRO COc1ccc(C)cc1C[NH+]1CCCCCCC1 ZINC000061758457 640993788 /nfs/dbraw/zinc/99/37/88/640993788.db2.gz ZJOCBJXEQNPZQN-UHFFFAOYSA-N 1 0 247.382 3.770 20 0 BHADRO c1ccc(OCCC[NH+]2CCCCCCC2)cc1 ZINC000061758458 640994249 /nfs/dbraw/zinc/99/42/49/640994249.db2.gz RQVPZJHNHIVXIR-UHFFFAOYSA-N 1 0 247.382 3.722 20 0 BHADRO c1ccc2oc(C[NH+]3CCCCCCC3)nc2c1 ZINC000061758476 640993763 /nfs/dbraw/zinc/99/37/63/640993763.db2.gz DZHCPFVBFKHGMP-UHFFFAOYSA-N 1 0 244.338 3.594 20 0 BHADRO Cc1cccc(C[N@@H+](C)Cc2ccccc2C)c1 ZINC000061760205 368568775 /nfs/dbraw/zinc/56/87/75/368568775.db2.gz YDPMUIKFBRIMER-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2)o1 ZINC000061760833 368567828 /nfs/dbraw/zinc/56/78/28/368567828.db2.gz VQMXARQHQXUPNR-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000061760903 368568167 /nfs/dbraw/zinc/56/81/67/368568167.db2.gz WPQYSNFXSUQUNY-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)Cc2cccs2)c1 ZINC000061779180 368570195 /nfs/dbraw/zinc/57/01/95/368570195.db2.gz IXRKJPSENKWMRE-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000061779192 353532074 /nfs/dbraw/zinc/53/20/74/353532074.db2.gz BXNMPLQBRJFVDG-UHFFFAOYSA-N 1 0 232.154 3.834 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000061779256 368570261 /nfs/dbraw/zinc/57/02/61/368570261.db2.gz GKHYRHHDDAWLFU-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)Cc2ccco2)c1 ZINC000061783377 368568595 /nfs/dbraw/zinc/56/85/95/368568595.db2.gz OPYAGPHYECFJNR-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO C#CC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000061784092 711839446 /nfs/dbraw/zinc/83/94/46/711839446.db2.gz MDOJVXIAXNLLQT-UHFFFAOYSA-N 1 0 245.341 3.594 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000061785368 368570836 /nfs/dbraw/zinc/57/08/36/368570836.db2.gz QUNUXXBOTOGVPP-UHFFFAOYSA-N 1 0 231.364 3.770 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1cccc(F)c1 ZINC000061785469 387787386 /nfs/dbraw/zinc/78/73/86/387787386.db2.gz HWMYGEKTWQXOHY-UHFFFAOYSA-N 1 0 249.354 3.909 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccccc1F ZINC000061798644 368570037 /nfs/dbraw/zinc/57/00/37/368570037.db2.gz VIXPSQMGKJKVNG-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000061798673 368570403 /nfs/dbraw/zinc/57/04/03/368570403.db2.gz BLWVALZLWDZJKY-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccccc1C ZINC000061798678 360680851 /nfs/dbraw/zinc/68/08/51/360680851.db2.gz IQPWIRIYJZSVIB-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO CC1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC000061799025 168160293 /nfs/dbraw/zinc/16/02/93/168160293.db2.gz MZIRJLVUPCFASM-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO CC1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000061799026 538782782 /nfs/dbraw/zinc/78/27/82/538782782.db2.gz AXMQUXFKYIXEHZ-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO CC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000061799061 368570432 /nfs/dbraw/zinc/57/04/32/368570432.db2.gz ZQZUPIMBSLYWPM-UHFFFAOYSA-N 1 0 217.356 3.697 20 0 BHADRO CC1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC000061799069 168158815 /nfs/dbraw/zinc/15/88/15/168158815.db2.gz COFOPSQBGSIBEB-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO COc1cccc(C[N@H+](C)C2CCC(C)CC2)c1 ZINC000061799089 349606714 /nfs/dbraw/zinc/60/67/14/349606714.db2.gz KAQXPTIUNCCGRD-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC000061799095 538782615 /nfs/dbraw/zinc/78/26/15/538782615.db2.gz UBSACVVFIVHOAL-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000061800372 387847455 /nfs/dbraw/zinc/84/74/55/387847455.db2.gz QPZIEWYFIVTZQJ-UHFFFAOYSA-N 1 0 235.327 3.519 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC000061800421 324108555 /nfs/dbraw/zinc/10/85/55/324108555.db2.gz VSSVTBNWZYPWRU-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)Cc2ccsc2)c1 ZINC000061800525 368571441 /nfs/dbraw/zinc/57/14/41/368571441.db2.gz GHOLPDXJPNLYBU-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccccc1C[N@H+](C)Cc1ccsc1 ZINC000061800530 368571295 /nfs/dbraw/zinc/57/12/95/368571295.db2.gz QOZAPDQACGZSQZ-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)Cc1ccsc1 ZINC000061800540 538782663 /nfs/dbraw/zinc/78/26/63/538782663.db2.gz PXQMXIMCQHKQRW-VMPITWQZSA-N 1 0 243.375 3.893 20 0 BHADRO CC(C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000061800963 535169439 /nfs/dbraw/zinc/16/94/39/535169439.db2.gz XLCUZQBXGFREMW-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000061803565 171343938 /nfs/dbraw/zinc/34/39/38/171343938.db2.gz NZDDCEWFKHKSAA-NSHDSACASA-N 1 0 246.379 3.698 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCc2occc21 ZINC000061839090 387847338 /nfs/dbraw/zinc/84/73/38/387847338.db2.gz AVORUEQWBSMZOV-GFCCVEGCSA-N 1 0 221.344 3.683 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCc2occc21 ZINC000061839091 387847927 /nfs/dbraw/zinc/84/79/27/387847927.db2.gz AVORUEQWBSMZOV-LBPRGKRZSA-N 1 0 221.344 3.683 20 0 BHADRO C[NH+](C)Cc1cccc(NCCC(C)(C)C)c1 ZINC000061839246 384753979 /nfs/dbraw/zinc/75/39/79/384753979.db2.gz HIRPGQAWGXMBSA-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000061839248 384753610 /nfs/dbraw/zinc/75/36/10/384753610.db2.gz BZMHYADFUNEKHD-NSHDSACASA-N 1 0 249.354 3.502 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000061839249 384756534 /nfs/dbraw/zinc/75/65/34/384756534.db2.gz BZMHYADFUNEKHD-LLVKDONJSA-N 1 0 249.354 3.502 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CCC(C)(C)C ZINC000061839265 641000433 /nfs/dbraw/zinc/00/04/33/641000433.db2.gz RFJYOJJIZDVQKN-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CCC(C)(C)C ZINC000061839266 641000796 /nfs/dbraw/zinc/00/07/96/641000796.db2.gz RFJYOJJIZDVQKN-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC(C)(C)C ZINC000061839468 175684761 /nfs/dbraw/zinc/68/47/61/175684761.db2.gz KBOWJLYPABHFNT-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCC(C)(C)C ZINC000061839469 176639319 /nfs/dbraw/zinc/63/93/19/176639319.db2.gz KBOWJLYPABHFNT-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO C[NH+](C)Cc1ccc(NCCC(C)(C)C)cc1 ZINC000061839474 384754735 /nfs/dbraw/zinc/75/47/35/384754735.db2.gz OIPVUWMNSJAWTI-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000061839528 175293496 /nfs/dbraw/zinc/29/34/96/175293496.db2.gz JXINUXWBTCOZNZ-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000061839529 175287159 /nfs/dbraw/zinc/28/71/59/175287159.db2.gz JXINUXWBTCOZNZ-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]CCC(C)(C)C ZINC000061839553 322859302 /nfs/dbraw/zinc/85/93/02/322859302.db2.gz AMBYRIOJECBZRR-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000061839554 322859220 /nfs/dbraw/zinc/85/92/20/322859220.db2.gz AMBYRIOJECBZRR-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CSCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000061910012 175486323 /nfs/dbraw/zinc/48/63/23/175486323.db2.gz XNVNLLQHVQPLCY-ZDUSSCGKSA-N 1 0 237.412 3.523 20 0 BHADRO CSCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000061910013 386494628 /nfs/dbraw/zinc/49/46/28/386494628.db2.gz XNVNLLQHVQPLCY-CYBMUJFWSA-N 1 0 237.412 3.523 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000061910016 384759683 /nfs/dbraw/zinc/75/96/83/384759683.db2.gz FGUBTNPDAHSOEN-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000061910017 322859585 /nfs/dbraw/zinc/85/95/85/322859585.db2.gz FGUBTNPDAHSOEN-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C1(C)CC1 ZINC000061910018 322859510 /nfs/dbraw/zinc/85/95/10/322859510.db2.gz FGUBTNPDAHSOEN-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000061910019 384760772 /nfs/dbraw/zinc/76/07/72/384760772.db2.gz FGUBTNPDAHSOEN-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061910128 384757959 /nfs/dbraw/zinc/75/79/59/384757959.db2.gz GTROFKBBIGNTPF-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061910129 322859496 /nfs/dbraw/zinc/85/94/96/322859496.db2.gz GTROFKBBIGNTPF-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061910130 384759024 /nfs/dbraw/zinc/75/90/24/384759024.db2.gz GTROFKBBIGNTPF-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000061910131 384760316 /nfs/dbraw/zinc/76/03/16/384760316.db2.gz GTROFKBBIGNTPF-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO Cc1cc[nH+]c(NCC[C@@H](C)c2ccccc2)c1 ZINC000061910796 386493032 /nfs/dbraw/zinc/49/30/32/386493032.db2.gz UKTOKAAHEGVNGZ-CQSZACIVSA-N 1 0 240.350 3.996 20 0 BHADRO Cc1cc[nH+]c(NCC[C@H](C)c2ccccc2)c1 ZINC000061910797 386494567 /nfs/dbraw/zinc/49/45/67/386494567.db2.gz UKTOKAAHEGVNGZ-AWEZNQCLSA-N 1 0 240.350 3.996 20 0 BHADRO Cc1cccc(NCC[C@@H](C)c2ccccc2)[nH+]1 ZINC000061910804 384757974 /nfs/dbraw/zinc/75/79/74/384757974.db2.gz CCQQQYGHDJUWQW-CYBMUJFWSA-N 1 0 240.350 3.996 20 0 BHADRO Cc1cccc(NCC[C@H](C)c2ccccc2)[nH+]1 ZINC000061910805 322859477 /nfs/dbraw/zinc/85/94/77/322859477.db2.gz CCQQQYGHDJUWQW-ZDUSSCGKSA-N 1 0 240.350 3.996 20 0 BHADRO CC[C@@H](C)[NH2+]CCC(C)(C)c1ccccc1 ZINC000061940677 487489247 /nfs/dbraw/zinc/48/92/47/487489247.db2.gz UGRQVCQDURMQCD-CYBMUJFWSA-N 1 0 219.372 3.742 20 0 BHADRO CC[C@H](C)[NH2+]CCC(C)(C)c1ccccc1 ZINC000061940679 487488449 /nfs/dbraw/zinc/48/84/49/487488449.db2.gz UGRQVCQDURMQCD-ZDUSSCGKSA-N 1 0 219.372 3.742 20 0 BHADRO CCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038055 322859557 /nfs/dbraw/zinc/85/95/57/322859557.db2.gz ABNWNPQNMYZYEE-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO CCCCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038056 384757766 /nfs/dbraw/zinc/75/77/66/384757766.db2.gz ABNWNPQNMYZYEE-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038060 322859490 /nfs/dbraw/zinc/85/94/90/322859490.db2.gz GZJFHDMVCOXBIE-RWMBFGLXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038062 322859421 /nfs/dbraw/zinc/85/94/21/322859421.db2.gz GZJFHDMVCOXBIE-AVGNSLFASA-N 1 0 237.362 3.781 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038077 168391232 /nfs/dbraw/zinc/39/12/32/168391232.db2.gz ZCPFVZOXJBPVLT-NSHDSACASA-N 1 0 223.335 3.535 20 0 BHADRO CCC(CC)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038078 168392561 /nfs/dbraw/zinc/39/25/61/168392561.db2.gz ZCPFVZOXJBPVLT-LLVKDONJSA-N 1 0 223.335 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C(C1CC1)C1CC1 ZINC000062038091 641014954 /nfs/dbraw/zinc/01/49/54/641014954.db2.gz UZWHZTPSYYXWKL-NSHDSACASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C(C1CC1)C1CC1 ZINC000062038092 631542949 /nfs/dbraw/zinc/54/29/49/631542949.db2.gz UZWHZTPSYYXWKL-LLVKDONJSA-N 1 0 247.357 3.535 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038241 384760746 /nfs/dbraw/zinc/76/07/46/384760746.db2.gz GIONQJDPOXPAKJ-OLZOCXBDSA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038242 322859559 /nfs/dbraw/zinc/85/95/59/322859559.db2.gz GIONQJDPOXPAKJ-STQMWFEESA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038243 384759673 /nfs/dbraw/zinc/75/96/73/384759673.db2.gz GIONQJDPOXPAKJ-CHWSQXEVSA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038244 322859626 /nfs/dbraw/zinc/85/96/26/322859626.db2.gz GIONQJDPOXPAKJ-QWHCGFSZSA-N 1 0 237.362 3.781 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)CC1 ZINC000062038275 168163747 /nfs/dbraw/zinc/16/37/47/168163747.db2.gz BOYOUNXLJRPRNN-UYJPIKCFSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)CC1 ZINC000062038276 168165800 /nfs/dbraw/zinc/16/58/00/168165800.db2.gz BOYOUNXLJRPRNN-MFOWVQHXSA-N 1 0 249.373 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038319 487492682 /nfs/dbraw/zinc/49/26/82/487492682.db2.gz FCNVBADCJFPXIL-NEPJUHHUSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062038320 487492693 /nfs/dbraw/zinc/49/26/93/487492693.db2.gz FCNVBADCJFPXIL-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038321 487492489 /nfs/dbraw/zinc/49/24/89/487492489.db2.gz FCNVBADCJFPXIL-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062038322 487492512 /nfs/dbraw/zinc/49/25/12/487492512.db2.gz FCNVBADCJFPXIL-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000062038343 641015306 /nfs/dbraw/zinc/01/53/06/641015306.db2.gz PNIIAXUVIWJQDZ-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000062038344 641014928 /nfs/dbraw/zinc/01/49/28/641014928.db2.gz PNIIAXUVIWJQDZ-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C1(C)CC1 ZINC000062038345 641014358 /nfs/dbraw/zinc/01/43/58/641014358.db2.gz PNIIAXUVIWJQDZ-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1(C)CC1 ZINC000062038346 641014808 /nfs/dbraw/zinc/01/48/08/641014808.db2.gz PNIIAXUVIWJQDZ-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cccs1 ZINC000062050725 398110164 /nfs/dbraw/zinc/11/01/64/398110164.db2.gz NEOXPSGFTOPHHQ-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1cccs1 ZINC000062050727 398110640 /nfs/dbraw/zinc/11/06/40/398110640.db2.gz NEOXPSGFTOPHHQ-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1 ZINC000062050895 385150821 /nfs/dbraw/zinc/15/08/21/385150821.db2.gz GSRDFDPNSZUFTO-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1 ZINC000062050896 343732441 /nfs/dbraw/zinc/73/24/41/343732441.db2.gz GSRDFDPNSZUFTO-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2C)cn1 ZINC000062051042 385152071 /nfs/dbraw/zinc/15/20/71/385152071.db2.gz UEKBQZHHXSSQMZ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cn1 ZINC000062051043 385152480 /nfs/dbraw/zinc/15/24/80/385152480.db2.gz UEKBQZHHXSSQMZ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000062051077 385151747 /nfs/dbraw/zinc/15/17/47/385151747.db2.gz RWALLWLHRJSACN-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000062051078 385150036 /nfs/dbraw/zinc/15/00/36/385150036.db2.gz RWALLWLHRJSACN-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062051141 641016253 /nfs/dbraw/zinc/01/62/53/641016253.db2.gz AMXAXJVSTUXROZ-CYBMUJFWSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062051142 641016644 /nfs/dbraw/zinc/01/66/44/641016644.db2.gz AMXAXJVSTUXROZ-ZDUSSCGKSA-N 1 0 234.387 3.839 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000062051151 398110218 /nfs/dbraw/zinc/11/02/18/398110218.db2.gz RCPFLRBDWMKTII-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(C)nc1 ZINC000062051152 171296148 /nfs/dbraw/zinc/29/61/48/171296148.db2.gz RCPFLRBDWMKTII-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000062051153 170854951 /nfs/dbraw/zinc/85/49/51/170854951.db2.gz RCPFLRBDWMKTII-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000062051154 171298924 /nfs/dbraw/zinc/29/89/24/171298924.db2.gz RCPFLRBDWMKTII-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)s1 ZINC000062051162 385151465 /nfs/dbraw/zinc/15/14/65/385151465.db2.gz ZBPPKLWRRSVHOT-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)s1 ZINC000062051163 385152401 /nfs/dbraw/zinc/15/24/01/385152401.db2.gz ZBPPKLWRRSVHOT-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000062051319 179182694 /nfs/dbraw/zinc/18/26/94/179182694.db2.gz UHBVGMWFSYDERF-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000062051320 179196246 /nfs/dbraw/zinc/19/62/46/179196246.db2.gz UHBVGMWFSYDERF-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C(C)C)CC2)cn1 ZINC000062051474 398110532 /nfs/dbraw/zinc/11/05/32/398110532.db2.gz AIPMBADDAOVNDW-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(C)nc1 ZINC000062052971 322859472 /nfs/dbraw/zinc/85/94/72/322859472.db2.gz ZALVRYLSDBFJQH-CQSZACIVSA-N 1 0 234.387 3.696 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccc(C)nc1 ZINC000062052972 487491518 /nfs/dbraw/zinc/49/15/18/487491518.db2.gz ZALVRYLSDBFJQH-AWEZNQCLSA-N 1 0 234.387 3.696 20 0 BHADRO Cc1ccc(CNc2cc[nH+]c3ccccc23)cn1 ZINC000062054817 386563269 /nfs/dbraw/zinc/56/32/69/386563269.db2.gz HCCOTXMFFNRGDY-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000062103254 641020259 /nfs/dbraw/zinc/02/02/59/641020259.db2.gz NHTWRDPPFKHZBC-GFCCVEGCSA-N 1 0 209.333 3.728 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccoc1 ZINC000062103255 635459429 /nfs/dbraw/zinc/45/94/29/635459429.db2.gz NHTWRDPPFKHZBC-LBPRGKRZSA-N 1 0 209.333 3.728 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000062103278 386565909 /nfs/dbraw/zinc/56/59/09/386565909.db2.gz YTRZZVLFPOGTSC-GFCCVEGCSA-N 1 0 209.333 3.584 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccoc1 ZINC000062103279 386565517 /nfs/dbraw/zinc/56/55/17/386565517.db2.gz YTRZZVLFPOGTSC-LBPRGKRZSA-N 1 0 209.333 3.584 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1ccoc1 ZINC000062103305 641020346 /nfs/dbraw/zinc/02/03/46/641020346.db2.gz SZHYIWCYYWAKBU-UHFFFAOYSA-N 1 0 223.360 3.976 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccoc1 ZINC000062103312 641019923 /nfs/dbraw/zinc/01/99/23/641019923.db2.gz BGIHDDUZDPPIED-GFCCVEGCSA-N 1 0 209.333 3.586 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccoc1 ZINC000062103313 641019254 /nfs/dbraw/zinc/01/92/54/641019254.db2.gz BGIHDDUZDPPIED-LBPRGKRZSA-N 1 0 209.333 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1cccc(Cl)c1 ZINC000062103325 323983089 /nfs/dbraw/zinc/98/30/89/323983089.db2.gz YBVOJKPOIJJJAV-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1cccc(Cl)c1 ZINC000062103326 323982683 /nfs/dbraw/zinc/98/26/83/323982683.db2.gz YBVOJKPOIJJJAV-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(Cl)cc1 ZINC000062103329 387183792 /nfs/dbraw/zinc/18/37/92/387183792.db2.gz MHZOYBGWUPOHGI-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(Cl)cc1 ZINC000062103330 323982944 /nfs/dbraw/zinc/98/29/44/323982944.db2.gz MHZOYBGWUPOHGI-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103334 385157268 /nfs/dbraw/zinc/15/72/68/385157268.db2.gz NWVITPAEFYRBRT-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103335 385158136 /nfs/dbraw/zinc/15/81/36/385158136.db2.gz NWVITPAEFYRBRT-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000062103346 387850130 /nfs/dbraw/zinc/85/01/30/387850130.db2.gz LVAJPLDJVKAFGV-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000062103347 387850382 /nfs/dbraw/zinc/85/03/82/387850382.db2.gz LVAJPLDJVKAFGV-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccc(C)cc1 ZINC000062103366 385157994 /nfs/dbraw/zinc/15/79/94/385157994.db2.gz VRNGLBCQOPHGEL-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccc(C)cc1 ZINC000062103367 343733182 /nfs/dbraw/zinc/73/31/82/343733182.db2.gz VRNGLBCQOPHGEL-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccc(OC)cc1 ZINC000062103404 385158301 /nfs/dbraw/zinc/15/83/01/385158301.db2.gz XTNRFMLYAJXYDK-HNNXBMFYSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccc(OC)cc1 ZINC000062103405 343733392 /nfs/dbraw/zinc/73/33/92/343733392.db2.gz XTNRFMLYAJXYDK-OAHLLOKOSA-N 1 0 245.322 3.529 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103406 385157410 /nfs/dbraw/zinc/15/74/10/385157410.db2.gz WKVGZWWNBXXUJI-HNNXBMFYSA-N 1 0 229.323 3.911 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103407 385158117 /nfs/dbraw/zinc/15/81/17/385158117.db2.gz WKVGZWWNBXXUJI-OAHLLOKOSA-N 1 0 229.323 3.911 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1cc2ccccc2o1 ZINC000062103430 387183162 /nfs/dbraw/zinc/18/31/62/387183162.db2.gz REBMWHRGSSEFDV-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1cc2ccccc2o1 ZINC000062103431 323983102 /nfs/dbraw/zinc/98/31/02/323983102.db2.gz REBMWHRGSSEFDV-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103468 191000859 /nfs/dbraw/zinc/00/08/59/191000859.db2.gz QICZSUJQEDMYPR-HNNXBMFYSA-N 1 0 229.323 3.767 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103469 385157833 /nfs/dbraw/zinc/15/78/33/385157833.db2.gz QICZSUJQEDMYPR-OAHLLOKOSA-N 1 0 229.323 3.767 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000062103470 641022270 /nfs/dbraw/zinc/02/22/70/641022270.db2.gz XLDXRZHPVHKRHX-HNNXBMFYSA-N 1 0 247.313 3.906 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000062103471 641021459 /nfs/dbraw/zinc/02/14/59/641021459.db2.gz XLDXRZHPVHKRHX-OAHLLOKOSA-N 1 0 247.313 3.906 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103493 385157690 /nfs/dbraw/zinc/15/76/90/385157690.db2.gz AEDXLNVHZQYKBJ-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103494 385158953 /nfs/dbraw/zinc/15/89/53/385158953.db2.gz AEDXLNVHZQYKBJ-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO c1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)co1 ZINC000062103500 183430404 /nfs/dbraw/zinc/43/04/04/183430404.db2.gz ZSHMZRPYJKHBDT-HNNXBMFYSA-N 1 0 227.307 3.521 20 0 BHADRO c1cc(C[NH2+][C@H](c2ccccc2)C2CC2)co1 ZINC000062103501 385157460 /nfs/dbraw/zinc/15/74/60/385157460.db2.gz ZSHMZRPYJKHBDT-OAHLLOKOSA-N 1 0 227.307 3.521 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2)c(C)s1 ZINC000062103519 178229175 /nfs/dbraw/zinc/22/91/75/178229175.db2.gz WUTWQZWOGHOJOD-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2)c(C)s1 ZINC000062103520 178252233 /nfs/dbraw/zinc/25/22/33/178252233.db2.gz WUTWQZWOGHOJOD-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(Cl)s1 ZINC000062103525 386566678 /nfs/dbraw/zinc/56/66/78/386566678.db2.gz URMJAEZXBRLPHY-QMMMGPOBSA-N 1 0 241.743 3.845 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(Cl)s1 ZINC000062103526 175905035 /nfs/dbraw/zinc/90/50/35/175905035.db2.gz URMJAEZXBRLPHY-MRVPVSSYSA-N 1 0 241.743 3.845 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000062103543 188486454 /nfs/dbraw/zinc/48/64/54/188486454.db2.gz QRPAHNIMBCLWAB-KGLIPLIRSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000062103544 187783919 /nfs/dbraw/zinc/78/39/19/187783919.db2.gz QRPAHNIMBCLWAB-KBPBESRZSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000062103545 641022316 /nfs/dbraw/zinc/02/23/16/641022316.db2.gz QRPAHNIMBCLWAB-ZIAGYGMSSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000062103546 641021811 /nfs/dbraw/zinc/02/18/11/641021811.db2.gz QRPAHNIMBCLWAB-UONOGXRCSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccoc1 ZINC000062103557 635460091 /nfs/dbraw/zinc/46/00/91/635460091.db2.gz MUOUGXRPIFQPKT-UHFFFAOYSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccccc1OC ZINC000062103602 387183299 /nfs/dbraw/zinc/18/32/99/387183299.db2.gz NPBDMWZZMRJYHX-AWEZNQCLSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1OC ZINC000062103603 170903824 /nfs/dbraw/zinc/90/38/24/170903824.db2.gz NPBDMWZZMRJYHX-CQSZACIVSA-N 1 0 245.322 3.529 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCSc3ccccc32)co1 ZINC000062103642 385158592 /nfs/dbraw/zinc/15/85/92/385158592.db2.gz JEEWZUVURSNDLB-CYBMUJFWSA-N 1 0 245.347 3.606 20 0 BHADRO c1cc(C[NH2+][C@H]2CCSc3ccccc32)co1 ZINC000062103643 385157478 /nfs/dbraw/zinc/15/74/78/385157478.db2.gz JEEWZUVURSNDLB-ZDUSSCGKSA-N 1 0 245.347 3.606 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)c(C)c1 ZINC000062103694 385158720 /nfs/dbraw/zinc/15/87/20/385158720.db2.gz QCTQFYQWHQYDGC-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)c(C)c1 ZINC000062103695 385157360 /nfs/dbraw/zinc/15/73/60/385157360.db2.gz QCTQFYQWHQYDGC-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)s1 ZINC000062103746 386565926 /nfs/dbraw/zinc/56/59/26/386565926.db2.gz LOMKMCZRBFWUFT-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)s1 ZINC000062103747 386566749 /nfs/dbraw/zinc/56/67/49/386566749.db2.gz LOMKMCZRBFWUFT-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccoc1 ZINC000062103780 387849936 /nfs/dbraw/zinc/84/99/36/387849936.db2.gz QAVOTZHUSJGKHH-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccoc1 ZINC000062103781 387849623 /nfs/dbraw/zinc/84/96/23/387849623.db2.gz QAVOTZHUSJGKHH-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1cccs1 ZINC000062103783 323982903 /nfs/dbraw/zinc/98/29/03/323982903.db2.gz PLSWSWBEZRPRGX-NSHDSACASA-N 1 0 221.325 3.582 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccs1 ZINC000062103784 323982608 /nfs/dbraw/zinc/98/26/08/323982608.db2.gz PLSWSWBEZRPRGX-LLVKDONJSA-N 1 0 221.325 3.582 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103805 385156866 /nfs/dbraw/zinc/15/68/66/385156866.db2.gz XCQCMKFGJSHALZ-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000062103806 191001039 /nfs/dbraw/zinc/00/10/39/191001039.db2.gz XCQCMKFGJSHALZ-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccoc1 ZINC000062103809 641021200 /nfs/dbraw/zinc/02/12/00/641021200.db2.gz HODICTPYEZGFQY-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccoc1 ZINC000062103810 641021097 /nfs/dbraw/zinc/02/10/97/641021097.db2.gz HODICTPYEZGFQY-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccoc1 ZINC000062103811 387849373 /nfs/dbraw/zinc/84/93/73/387849373.db2.gz ZIIAHFARMWLTAF-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccoc1 ZINC000062103812 387850612 /nfs/dbraw/zinc/85/06/12/387850612.db2.gz ZIIAHFARMWLTAF-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103842 385157718 /nfs/dbraw/zinc/15/77/18/385157718.db2.gz LVFRNLHKHXSQHO-AWEZNQCLSA-N 1 0 215.296 3.521 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103843 343733308 /nfs/dbraw/zinc/73/33/08/343733308.db2.gz LVFRNLHKHXSQHO-CQSZACIVSA-N 1 0 215.296 3.521 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103856 323982654 /nfs/dbraw/zinc/98/26/54/323982654.db2.gz NESZMLPVYTXVCQ-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccoc1)c1ccccc1 ZINC000062103857 323982563 /nfs/dbraw/zinc/98/25/63/323982563.db2.gz NESZMLPVYTXVCQ-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)C1CCCCC1 ZINC000062103860 323982856 /nfs/dbraw/zinc/98/28/56/323982856.db2.gz OVHIBJVVEJFTCZ-AWEZNQCLSA-N 1 0 221.344 3.728 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)C1CCCCC1 ZINC000062103861 387183992 /nfs/dbraw/zinc/18/39/92/387183992.db2.gz OVHIBJVVEJFTCZ-CQSZACIVSA-N 1 0 221.344 3.728 20 0 BHADRO Cc1cc(C)c(C[NH2+]Cc2ccsc2)cc1C ZINC000062103886 631685996 /nfs/dbraw/zinc/68/59/96/631685996.db2.gz OAOPTFKXHGOTRN-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccsc2)c1C ZINC000062103911 179095045 /nfs/dbraw/zinc/09/50/45/179095045.db2.gz RDEYBUOFHTYEAS-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccsc2)cc1C ZINC000062103912 385158317 /nfs/dbraw/zinc/15/83/17/385158317.db2.gz SITOUWGQYMAOJR-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccsc2)s1 ZINC000062103936 386567401 /nfs/dbraw/zinc/56/74/01/386567401.db2.gz KNYOYBUFDFRAER-UHFFFAOYSA-N 1 0 237.393 3.662 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccco1 ZINC000062257505 386506016 /nfs/dbraw/zinc/50/60/16/386506016.db2.gz OCCKXDNCFVKUFP-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccco1 ZINC000062258145 641029790 /nfs/dbraw/zinc/02/97/90/641029790.db2.gz HPBQUVSBXMTPMD-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO Cc1ccc(C)c(OCCC[N@@H+](C)CC(C)C)c1 ZINC000062364762 343164899 /nfs/dbraw/zinc/16/48/99/343164899.db2.gz JRNDGQSLFGPTDH-UHFFFAOYSA-N 1 0 249.398 3.660 20 0 BHADRO Cc1cc(C)cc(OCCC[N@@H+](C)CC(C)C)c1 ZINC000062364780 368574485 /nfs/dbraw/zinc/57/44/85/368574485.db2.gz CUZDKJCOUQKXAW-UHFFFAOYSA-N 1 0 249.398 3.660 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccccc2Cl)o1 ZINC000062424674 632605204 /nfs/dbraw/zinc/60/52/04/632605204.db2.gz SPMWLYHTOLYLDC-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC(C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000062608995 167100103 /nfs/dbraw/zinc/10/01/03/167100103.db2.gz FJWUWAJWWYHWFT-UHFFFAOYSA-N 1 0 241.737 3.509 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000062609004 322859671 /nfs/dbraw/zinc/85/96/71/322859671.db2.gz RGLPDWDVKJMEII-UHFFFAOYSA-N 1 0 243.753 3.755 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1CCCCC1 ZINC000062665609 384758208 /nfs/dbraw/zinc/75/82/08/384758208.db2.gz KKJGOHUUPCTZNF-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO Fc1cc(C[NH2+]C2CCCCC2)cc(F)c1F ZINC000062705463 641076320 /nfs/dbraw/zinc/07/63/20/641076320.db2.gz YRFQTFJBPWDLPB-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CCCCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705914 641075240 /nfs/dbraw/zinc/07/52/40/641075240.db2.gz NMYAPMBSVNRBCU-UHFFFAOYSA-N 1 0 245.288 3.774 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062706248 188303659 /nfs/dbraw/zinc/30/36/59/188303659.db2.gz AFXOJPISRSQJQL-SECBINFHSA-N 1 0 245.288 3.628 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062706250 322859756 /nfs/dbraw/zinc/85/97/56/322859756.db2.gz AFXOJPISRSQJQL-VIFPVBQESA-N 1 0 245.288 3.628 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708251 384757838 /nfs/dbraw/zinc/75/78/38/384757838.db2.gz UPVTXSTWAMLXBB-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO CC1([NH2+]Cc2cc(F)c(F)c(F)c2)CCCC1 ZINC000062708386 384758068 /nfs/dbraw/zinc/75/80/68/384758068.db2.gz XUMCMDCSLMLHNP-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708410 170773921 /nfs/dbraw/zinc/77/39/21/170773921.db2.gz UISPOELYSRXNLG-RKDXNWHRSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708412 171366054 /nfs/dbraw/zinc/36/60/54/171366054.db2.gz UISPOELYSRXNLG-DTWKUNHWSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708414 170791428 /nfs/dbraw/zinc/79/14/28/170791428.db2.gz UISPOELYSRXNLG-BDAKNGLRSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708416 171389971 /nfs/dbraw/zinc/38/99/71/171389971.db2.gz UISPOELYSRXNLG-IUCAKERBSA-N 1 0 245.288 3.628 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708736 169379499 /nfs/dbraw/zinc/37/94/99/169379499.db2.gz BPTYRYOSLGNQQT-SNVBAGLBSA-N 1 0 245.288 3.772 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708738 187784479 /nfs/dbraw/zinc/78/44/79/187784479.db2.gz BPTYRYOSLGNQQT-JTQLQIEISA-N 1 0 245.288 3.772 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]CCC1CCCCC1 ZINC000062771719 641088558 /nfs/dbraw/zinc/08/85/58/641088558.db2.gz GOXPBBFTVBJVQS-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]CCC1CCCCC1 ZINC000062771720 641089564 /nfs/dbraw/zinc/08/95/64/641089564.db2.gz GOXPBBFTVBJVQS-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO CCC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000062773590 322859775 /nfs/dbraw/zinc/85/97/75/322859775.db2.gz VHWUEIIHLWDACM-AWEZNQCLSA-N 1 0 219.372 3.742 20 0 BHADRO CCC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000062773591 384760054 /nfs/dbraw/zinc/76/00/54/384760054.db2.gz VHWUEIIHLWDACM-CQSZACIVSA-N 1 0 219.372 3.742 20 0 BHADRO CCC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000062782894 322859872 /nfs/dbraw/zinc/85/98/72/322859872.db2.gz YFGTULYVYLIMMM-AWEZNQCLSA-N 1 0 231.383 3.887 20 0 BHADRO CCC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000062782895 384760696 /nfs/dbraw/zinc/76/06/96/384760696.db2.gz YFGTULYVYLIMMM-CQSZACIVSA-N 1 0 231.383 3.887 20 0 BHADRO CC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000062786400 384758470 /nfs/dbraw/zinc/75/84/70/384758470.db2.gz BVMQQDTUPUHMHN-GFCCVEGCSA-N 1 0 229.726 3.786 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000062786401 384760219 /nfs/dbraw/zinc/76/02/19/384760219.db2.gz BVMQQDTUPUHMHN-LBPRGKRZSA-N 1 0 229.726 3.786 20 0 BHADRO CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000062797873 322859866 /nfs/dbraw/zinc/85/98/66/322859866.db2.gz IIMRHHBVAIAJKG-CQSZACIVSA-N 1 0 217.312 3.739 20 0 BHADRO CC[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000062797874 322859750 /nfs/dbraw/zinc/85/97/50/322859750.db2.gz IIMRHHBVAIAJKG-AWEZNQCLSA-N 1 0 217.312 3.739 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062815782 323086467 /nfs/dbraw/zinc/08/64/67/323086467.db2.gz DMKVLTQBPWZIJA-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839077 347866049 /nfs/dbraw/zinc/86/60/49/347866049.db2.gz WBMBSTHOUPZFGF-SNVBAGLBSA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839078 347866022 /nfs/dbraw/zinc/86/60/22/347866022.db2.gz WBMBSTHOUPZFGF-JTQLQIEISA-N 1 0 240.416 3.576 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]C(C)C)cc2)cn1 ZINC000062948370 641115600 /nfs/dbraw/zinc/11/56/00/641115600.db2.gz UHNVZTCVYHIZMY-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1ccc(-c2cccc(C[NH2+]C(C)C)c2)cn1 ZINC000062948390 178326372 /nfs/dbraw/zinc/32/63/72/178326372.db2.gz BCFDHYNLQPCING-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO CCC1(C)CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000062956864 641116306 /nfs/dbraw/zinc/11/63/06/641116306.db2.gz BSXNGMNNTXCIEV-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)Oc1ccc(NC(=[NH2+])C(C)(C)C)cc1 ZINC000062989464 188487363 /nfs/dbraw/zinc/48/73/63/188487363.db2.gz KVWKNFOOFAYRCM-UHFFFAOYSA-N 1 0 234.343 3.909 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998799 641117284 /nfs/dbraw/zinc/11/72/84/641117284.db2.gz XOUYELAOFPSWQO-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998800 641118840 /nfs/dbraw/zinc/11/88/40/641118840.db2.gz XOUYELAOFPSWQO-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000062998801 641118227 /nfs/dbraw/zinc/11/82/27/641118227.db2.gz XOUYELAOFPSWQO-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000062998802 641117548 /nfs/dbraw/zinc/11/75/48/641117548.db2.gz XOUYELAOFPSWQO-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998815 323089104 /nfs/dbraw/zinc/08/91/04/323089104.db2.gz ZCGPUMFYTSVHMU-BMFZPTHFSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998816 323089162 /nfs/dbraw/zinc/08/91/62/323089162.db2.gz ZCGPUMFYTSVHMU-IMJJTQAJSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998817 323089105 /nfs/dbraw/zinc/08/91/05/323089105.db2.gz ZCGPUMFYTSVHMU-KBMXLJTQSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000062998818 323089179 /nfs/dbraw/zinc/08/91/79/323089179.db2.gz ZCGPUMFYTSVHMU-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063001814 348663711 /nfs/dbraw/zinc/66/37/11/348663711.db2.gz BAXCVRCUWXWAGX-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063001815 348663723 /nfs/dbraw/zinc/66/37/23/348663723.db2.gz BAXCVRCUWXWAGX-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](CO)c1ccccc1 ZINC000063001816 348663633 /nfs/dbraw/zinc/66/36/33/348663633.db2.gz BAXCVRCUWXWAGX-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](CO)c1ccccc1 ZINC000063001817 348663783 /nfs/dbraw/zinc/66/37/83/348663783.db2.gz BAXCVRCUWXWAGX-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000063021632 323089252 /nfs/dbraw/zinc/08/92/52/323089252.db2.gz KLJPNNUOGXXHRA-UHFFFAOYSA-N 1 0 211.736 3.537 20 0 BHADRO CCCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000063021634 323089306 /nfs/dbraw/zinc/08/93/06/323089306.db2.gz LWRCMGLWSBSVLR-UHFFFAOYSA-N 1 0 211.736 3.538 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000063021635 323089321 /nfs/dbraw/zinc/08/93/21/323089321.db2.gz JNSLPKGTKRMRQA-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000063021639 387234077 /nfs/dbraw/zinc/23/40/77/387234077.db2.gz HNQABPKYTXTDTO-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000063021642 323089301 /nfs/dbraw/zinc/08/93/01/323089301.db2.gz ZDWQQVJKWRRBJU-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000063021645 323100291 /nfs/dbraw/zinc/10/02/91/323100291.db2.gz RXPABWLUTAEKAM-SNVBAGLBSA-N 1 0 211.736 3.537 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000063021646 323089265 /nfs/dbraw/zinc/08/92/65/323089265.db2.gz RXPABWLUTAEKAM-JTQLQIEISA-N 1 0 211.736 3.537 20 0 BHADRO CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000063032930 323089535 /nfs/dbraw/zinc/08/95/35/323089535.db2.gz NIWPGIPQVZPUBZ-ZJUUUORDSA-N 1 0 245.288 3.807 20 0 BHADRO CC[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000063032931 323089537 /nfs/dbraw/zinc/08/95/37/323089537.db2.gz NIWPGIPQVZPUBZ-NXEZZACHSA-N 1 0 245.288 3.807 20 0 BHADRO CC[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000063032932 323089576 /nfs/dbraw/zinc/08/95/76/323089576.db2.gz NIWPGIPQVZPUBZ-UWVGGRQHSA-N 1 0 245.288 3.807 20 0 BHADRO CC[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000063032933 323089666 /nfs/dbraw/zinc/08/96/66/323089666.db2.gz NIWPGIPQVZPUBZ-VHSXEESVSA-N 1 0 245.288 3.807 20 0 BHADRO CCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000063033078 169275981 /nfs/dbraw/zinc/27/59/81/169275981.db2.gz ZMVLFLHLIUGGSN-MNOVXSKESA-N 1 0 248.395 3.788 20 0 BHADRO CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000063033079 169286344 /nfs/dbraw/zinc/28/63/44/169286344.db2.gz ZMVLFLHLIUGGSN-GHMZBOCLSA-N 1 0 248.395 3.788 20 0 BHADRO CCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000063033080 169276183 /nfs/dbraw/zinc/27/61/83/169276183.db2.gz ZMVLFLHLIUGGSN-QWRGUYRKSA-N 1 0 248.395 3.788 20 0 BHADRO CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000063033081 169286517 /nfs/dbraw/zinc/28/65/17/169286517.db2.gz ZMVLFLHLIUGGSN-WDEREUQCSA-N 1 0 248.395 3.788 20 0 BHADRO CCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000063034672 323089554 /nfs/dbraw/zinc/08/95/54/323089554.db2.gz UMFFJWUOASRJTN-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000063034673 323089623 /nfs/dbraw/zinc/08/96/23/323089623.db2.gz UMFFJWUOASRJTN-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO CCC1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000063047420 641122372 /nfs/dbraw/zinc/12/23/72/641122372.db2.gz CVSNGPNSHBTXNF-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCc3sccc32)co1 ZINC000063047525 183352513 /nfs/dbraw/zinc/35/25/13/183352513.db2.gz ZLPHTUIJBFXFKZ-GFCCVEGCSA-N 1 0 233.336 3.508 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCc3sccc32)co1 ZINC000063047526 183353077 /nfs/dbraw/zinc/35/30/77/183353077.db2.gz ZLPHTUIJBFXFKZ-LBPRGKRZSA-N 1 0 233.336 3.508 20 0 BHADRO CC1(C)CCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000063071719 349505812 /nfs/dbraw/zinc/50/58/12/349505812.db2.gz MPJYHSJQFHWQHO-UHFFFAOYSA-N 1 0 245.366 3.524 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)c(C)c1 ZINC000063098638 323099063 /nfs/dbraw/zinc/09/90/63/323099063.db2.gz LPBSDFRLTMDYOT-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)c(C)c1 ZINC000063098639 323099019 /nfs/dbraw/zinc/09/90/19/323099019.db2.gz LPBSDFRLTMDYOT-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000063098670 357525580 /nfs/dbraw/zinc/52/55/80/357525580.db2.gz DXFZJVUUKJHFTN-NSHDSACASA-N 1 0 231.261 3.680 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000063098671 357525368 /nfs/dbraw/zinc/52/53/68/357525368.db2.gz DXFZJVUUKJHFTN-LLVKDONJSA-N 1 0 231.261 3.680 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccc(F)cc1 ZINC000063098674 387267339 /nfs/dbraw/zinc/26/73/39/387267339.db2.gz YLJRUKPONMWARS-NSHDSACASA-N 1 0 249.251 3.819 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccc(F)cc1 ZINC000063098675 387266746 /nfs/dbraw/zinc/26/67/46/387266746.db2.gz YLJRUKPONMWARS-LLVKDONJSA-N 1 0 249.251 3.819 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1C ZINC000063098704 323098917 /nfs/dbraw/zinc/09/89/17/323098917.db2.gz GOSBDYPIDWJOED-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1C ZINC000063098705 323098974 /nfs/dbraw/zinc/09/89/74/323098974.db2.gz GOSBDYPIDWJOED-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000063098762 385208547 /nfs/dbraw/zinc/20/85/47/385208547.db2.gz WQEBMDMORHYRLT-SNVBAGLBSA-N 1 0 231.261 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000063098763 385209029 /nfs/dbraw/zinc/20/90/29/385209029.db2.gz WQEBMDMORHYRLT-JTQLQIEISA-N 1 0 231.261 3.598 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(F)(F)F)c(C)c1 ZINC000063098773 323098983 /nfs/dbraw/zinc/09/89/83/323098983.db2.gz ROOIQPRNXJRGBC-UHFFFAOYSA-N 1 0 245.288 3.654 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC000063099060 323098999 /nfs/dbraw/zinc/09/89/99/323098999.db2.gz FQSHXXMWZQKVJJ-UHFFFAOYSA-N 1 0 245.288 3.852 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC(F)(F)F ZINC000063099132 323098912 /nfs/dbraw/zinc/09/89/12/323098912.db2.gz SVWTWNNJVVMOGS-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC(F)(F)F ZINC000063099133 323098961 /nfs/dbraw/zinc/09/89/61/323098961.db2.gz SVWTWNNJVVMOGS-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC(F)(F)F ZINC000063099134 323098967 /nfs/dbraw/zinc/09/89/67/323098967.db2.gz SVWTWNNJVVMOGS-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC(F)(F)F ZINC000063099135 323098979 /nfs/dbraw/zinc/09/89/79/323098979.db2.gz SVWTWNNJVVMOGS-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)s1 ZINC000063099144 350571162 /nfs/dbraw/zinc/57/11/62/350571162.db2.gz AVWGRCGOUZPSJH-MRVPVSSYSA-N 1 0 237.290 3.660 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)s1 ZINC000063099145 350570986 /nfs/dbraw/zinc/57/09/86/350570986.db2.gz AVWGRCGOUZPSJH-QMMMGPOBSA-N 1 0 237.290 3.660 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1cccs1 ZINC000063099214 323099103 /nfs/dbraw/zinc/09/91/03/323099103.db2.gz IODQGUHUDXOBMK-QMMMGPOBSA-N 1 0 237.290 3.741 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1cccs1 ZINC000063099215 323099101 /nfs/dbraw/zinc/09/91/01/323099101.db2.gz IODQGUHUDXOBMK-MRVPVSSYSA-N 1 0 237.290 3.741 20 0 BHADRO CCCC1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000063099249 323099055 /nfs/dbraw/zinc/09/90/55/323099055.db2.gz DDMFSDQCJDPGAW-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000063099531 641130551 /nfs/dbraw/zinc/13/05/51/641130551.db2.gz ZDKVVSUCWXFHQV-QJPTWQEYSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000063099532 641130993 /nfs/dbraw/zinc/13/09/93/641130993.db2.gz ZDKVVSUCWXFHQV-SDDRHHMPSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063099537 323099022 /nfs/dbraw/zinc/09/90/22/323099022.db2.gz QCLNQKSLRMCJLO-SNVBAGLBSA-N 1 0 231.261 3.598 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063099538 323099069 /nfs/dbraw/zinc/09/90/69/323099069.db2.gz QCLNQKSLRMCJLO-JTQLQIEISA-N 1 0 231.261 3.598 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(F)(F)F)cc1C ZINC000063099549 518186655 /nfs/dbraw/zinc/18/66/55/518186655.db2.gz LKMWLSQKJYIFOU-UHFFFAOYSA-N 1 0 245.288 3.654 20 0 BHADRO CC(C)C1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000063099661 323099112 /nfs/dbraw/zinc/09/91/12/323099112.db2.gz LKLLADFIKIWQFS-UHFFFAOYSA-N 1 0 237.309 3.743 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000063099675 357525795 /nfs/dbraw/zinc/52/57/95/357525795.db2.gz ZSCNMYFYITXGFF-SECBINFHSA-N 1 0 249.301 3.668 20 0 BHADRO FC(F)(F)CC[NH2+][C@H]1CCCc2sccc21 ZINC000063099676 357526084 /nfs/dbraw/zinc/52/60/84/357526084.db2.gz ZSCNMYFYITXGFF-VIFPVBQESA-N 1 0 249.301 3.668 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000063099707 385208599 /nfs/dbraw/zinc/20/85/99/385208599.db2.gz CHECPOYOVOFLKM-LBPRGKRZSA-N 1 0 243.272 3.680 20 0 BHADRO FC(F)(F)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000063099708 385207151 /nfs/dbraw/zinc/20/71/51/385207151.db2.gz CHECPOYOVOFLKM-GFCCVEGCSA-N 1 0 243.272 3.680 20 0 BHADRO C[C@@H](CC[NH2+]CCC(F)(F)F)c1ccccc1 ZINC000063099766 323099062 /nfs/dbraw/zinc/09/90/62/323099062.db2.gz CIPADOKBZMLFTO-NSHDSACASA-N 1 0 245.288 3.722 20 0 BHADRO C[C@H](CC[NH2+]CCC(F)(F)F)c1ccccc1 ZINC000063099767 323099100 /nfs/dbraw/zinc/09/91/00/323099100.db2.gz CIPADOKBZMLFTO-LLVKDONJSA-N 1 0 245.288 3.722 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000063099783 323099029 /nfs/dbraw/zinc/09/90/29/323099029.db2.gz FFVDUSHJXAODSI-SNVBAGLBSA-N 1 0 249.301 3.741 20 0 BHADRO FC(F)(F)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000063099784 323099074 /nfs/dbraw/zinc/09/90/74/323099074.db2.gz FFVDUSHJXAODSI-JTQLQIEISA-N 1 0 249.301 3.741 20 0 BHADRO FC(F)(F)CCNc1cc[nH+]c2ccccc12 ZINC000063100500 357525468 /nfs/dbraw/zinc/52/54/68/357525468.db2.gz YTDBMEFJKFGKTI-UHFFFAOYSA-N 1 0 240.228 3.599 20 0 BHADRO CCCC(CCC)[NH2+]CCc1nc(C)cs1 ZINC000063132369 487514018 /nfs/dbraw/zinc/51/40/18/487514018.db2.gz FQPSNJWYCZZURZ-UHFFFAOYSA-N 1 0 240.416 3.552 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1nc(C)cs1 ZINC000063132602 641138713 /nfs/dbraw/zinc/13/87/13/641138713.db2.gz HLDVURVZBJWXAJ-LLVKDONJSA-N 1 0 240.416 3.552 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1nc(C)cs1 ZINC000063132603 641138111 /nfs/dbraw/zinc/13/81/11/641138111.db2.gz HLDVURVZBJWXAJ-NSHDSACASA-N 1 0 240.416 3.552 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1nccs1 ZINC000063133229 641137844 /nfs/dbraw/zinc/13/78/44/641137844.db2.gz BKCCMONQIJMIMF-GFCCVEGCSA-N 1 0 240.416 3.634 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1nccs1 ZINC000063133230 641137746 /nfs/dbraw/zinc/13/77/46/641137746.db2.gz BKCCMONQIJMIMF-LBPRGKRZSA-N 1 0 240.416 3.634 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccccn1 ZINC000063144359 168156223 /nfs/dbraw/zinc/15/62/23/168156223.db2.gz UZTXLYDVMSXNAW-MOKVOYLWSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccccn1 ZINC000063144361 168157177 /nfs/dbraw/zinc/15/71/77/168157177.db2.gz UZTXLYDVMSXNAW-ROKHWSDSSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccncc1 ZINC000063144428 168156180 /nfs/dbraw/zinc/15/61/80/168156180.db2.gz ZSBKTQRNPANVGL-MOKVOYLWSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccncc1 ZINC000063144430 168156509 /nfs/dbraw/zinc/15/65/09/168156509.db2.gz ZSBKTQRNPANVGL-ROKHWSDSSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1cccnc1 ZINC000063144432 168156235 /nfs/dbraw/zinc/15/62/35/168156235.db2.gz AYQWHAPRNIDOGL-MOKVOYLWSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1cccnc1 ZINC000063144437 168156974 /nfs/dbraw/zinc/15/69/74/168156974.db2.gz AYQWHAPRNIDOGL-ROKHWSDSSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccco1 ZINC000063144447 357534201 /nfs/dbraw/zinc/53/42/01/357534201.db2.gz QJDFDATXOOKNQL-CPCZMJQVSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccco1 ZINC000063144449 357534225 /nfs/dbraw/zinc/53/42/25/357534225.db2.gz QJDFDATXOOKNQL-OTTFEQOBSA-N 1 0 221.344 3.757 20 0 BHADRO CC1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000063144451 323113405 /nfs/dbraw/zinc/11/34/05/323113405.db2.gz NQNLXSVDLBQYTP-UHFFFAOYSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1cccc(O)c1 ZINC000063144471 323113462 /nfs/dbraw/zinc/11/34/62/323113462.db2.gz DBGZFMKMOVVGIU-MOKVOYLWSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1cccc(O)c1 ZINC000063144472 323113467 /nfs/dbraw/zinc/11/34/67/323113467.db2.gz DBGZFMKMOVVGIU-ROKHWSDSSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)C1(C)CC1 ZINC000063144582 350573485 /nfs/dbraw/zinc/57/34/85/350573485.db2.gz HHJXZEVCYRPRIC-CPCZMJQVSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)C1(C)CC1 ZINC000063144584 350573828 /nfs/dbraw/zinc/57/38/28/350573828.db2.gz HHJXZEVCYRPRIC-OTTFEQOBSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccsc1 ZINC000063152164 323114210 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CCC[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000063741885 368595087 /nfs/dbraw/zinc/59/50/87/368595087.db2.gz JYTZLRIFJUNVAD-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)Cc1ccco1 ZINC000063742580 368595278 /nfs/dbraw/zinc/59/52/78/368595278.db2.gz HEOZLLNGFCBPCE-OAHLLOKOSA-N 1 0 229.323 3.863 20 0 BHADRO CC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000063751931 368595379 /nfs/dbraw/zinc/59/53/79/368595379.db2.gz FAXSJSDJVPIHGO-SECBINFHSA-N 1 0 231.261 3.718 20 0 BHADRO CCCC[N@H+](CCC)Cc1ccccc1F ZINC000063755110 356423757 /nfs/dbraw/zinc/42/37/57/356423757.db2.gz TYPROHXOJXIYSR-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO C[N@H+](CCc1cccs1)Cc1ccc(F)cc1 ZINC000063755491 356425039 /nfs/dbraw/zinc/42/50/39/356425039.db2.gz NZVGGMWYTCOBTP-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO CC[N@H+](CCc1cccs1)C1CCCCC1 ZINC000063755537 641222779 /nfs/dbraw/zinc/22/27/79/641222779.db2.gz GATUDDXUZIVBQV-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO C#CC[N@H+](CCc1cccs1)C1CCCCC1 ZINC000063755538 641223226 /nfs/dbraw/zinc/22/32/26/641223226.db2.gz KMOLXSACBQRYIY-UHFFFAOYSA-N 1 0 247.407 3.559 20 0 BHADRO CC[N@H+](CCc1cccs1)[C@H](C)C(C)C ZINC000063755568 356424686 /nfs/dbraw/zinc/42/46/86/356424686.db2.gz IXNJJXPHGVSYOO-GFCCVEGCSA-N 1 0 225.401 3.657 20 0 BHADRO CC[N@H+](CCc1cccs1)Cc1ccccc1 ZINC000063755586 368594921 /nfs/dbraw/zinc/59/49/21/368594921.db2.gz CHOKXQAZYKIGNY-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO C[N@H+](CCc1cccs1)Cc1ccccc1F ZINC000063755590 323162934 /nfs/dbraw/zinc/16/29/34/323162934.db2.gz OMRJVGYDBKJKPD-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO C[N@H+](CCc1cccs1)C1CCCCC1 ZINC000063755594 641223106 /nfs/dbraw/zinc/22/31/06/641223106.db2.gz SKLFNJRBMZYHDC-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CC[N@H+](CCc1cccs1)C1CCCC1 ZINC000063755655 386715487 /nfs/dbraw/zinc/71/54/87/386715487.db2.gz ZHQJHSBBEOGTEP-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CCC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000063756023 323163243 /nfs/dbraw/zinc/16/32/43/323163243.db2.gz IVZDLTHSHWNGTK-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CCC[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000063756025 357716844 /nfs/dbraw/zinc/71/68/44/357716844.db2.gz KSXJREOZCJNQAA-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CCC[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000063761556 360870093 /nfs/dbraw/zinc/87/00/93/360870093.db2.gz NRPNUQDDVOYAPW-UHFFFAOYSA-N 1 0 243.350 3.560 20 0 BHADRO CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762315 360870922 /nfs/dbraw/zinc/87/09/22/360870922.db2.gz DLDXRUHMEGKWHO-UHFFFAOYSA-N 1 0 237.346 3.949 20 0 BHADRO C#CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762830 643103734 /nfs/dbraw/zinc/10/37/34/643103734.db2.gz RWCNGMZOZQYXEB-UHFFFAOYSA-N 1 0 247.341 3.562 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCSCC2)c(C)c1 ZINC000063775930 636621908 /nfs/dbraw/zinc/62/19/08/636621908.db2.gz VZELNMMVTNJAJS-UHFFFAOYSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)C)cc1C ZINC000063858788 641254577 /nfs/dbraw/zinc/25/45/77/641254577.db2.gz TVLFQXCVJLFHMA-OAHLLOKOSA-N 1 0 247.382 3.629 20 0 BHADRO C[N@@H+](Cc1cccc(F)c1F)CC1CCCC1 ZINC000064020826 368600698 /nfs/dbraw/zinc/60/06/98/368600698.db2.gz YRFZLKLAXZDCFO-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000064030373 360890382 /nfs/dbraw/zinc/89/03/82/360890382.db2.gz SKAJDGACZNJLFS-CYBMUJFWSA-N 1 0 225.335 3.997 20 0 BHADRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)C(C)C ZINC000064111943 641309579 /nfs/dbraw/zinc/30/95/79/641309579.db2.gz JXTZPMZHTYBNLZ-AWEZNQCLSA-N 1 0 249.398 3.875 20 0 BHADRO CCCC[NH+](CCCC)Cc1nc(C)c(C)o1 ZINC000064140600 324630996 /nfs/dbraw/zinc/63/09/96/324630996.db2.gz YUCHSYGBYLUVFF-UHFFFAOYSA-N 1 0 238.375 3.694 20 0 BHADRO CCCCC[N@H+](Cc1nc(C)c(C)o1)C(C)C ZINC000064140984 357725624 /nfs/dbraw/zinc/72/56/24/357725624.db2.gz DNKNEEVPRUSYNM-UHFFFAOYSA-N 1 0 238.375 3.692 20 0 BHADRO Cc1nc(C[N@H+](C2CC2)C2CCCCC2)oc1C ZINC000064141341 342762555 /nfs/dbraw/zinc/76/25/55/342762555.db2.gz QLFXNBDVMHFIGD-UHFFFAOYSA-N 1 0 248.370 3.589 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249465 368603069 /nfs/dbraw/zinc/60/30/69/368603069.db2.gz UULXXSJTSHQBJF-CYBMUJFWSA-N 1 0 237.774 3.757 20 0 BHADRO CC[NH+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064348735 356316306 /nfs/dbraw/zinc/31/63/06/356316306.db2.gz ZKOCNPSTVRDEGM-LLVKDONJSA-N 1 0 217.312 3.836 20 0 BHADRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000064401151 643127024 /nfs/dbraw/zinc/12/70/24/643127024.db2.gz JZQKZASVNAFRGM-UHFFFAOYSA-N 1 0 249.357 3.630 20 0 BHADRO CCC[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064486535 368607573 /nfs/dbraw/zinc/60/75/73/368607573.db2.gz FZKMHBLJVCYSBM-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000064517441 344460756 /nfs/dbraw/zinc/46/07/56/344460756.db2.gz KNBTYNIQQBIUGD-DHINHOHASA-N 1 0 229.367 3.820 20 0 BHADRO FC(F)Sc1ccc(C[NH+]2CCCC2)cc1 ZINC000064554690 642678024 /nfs/dbraw/zinc/67/80/24/642678024.db2.gz HLIJIYVHJPTPRW-UHFFFAOYSA-N 1 0 243.322 3.597 20 0 BHADRO CC[NH+](CC)Cc1ccc(SC(F)F)cc1 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/nfs/dbraw/zinc/62/35/67/368623567.db2.gz APKHFPIYLRRCRH-UHFFFAOYSA-N 1 0 247.382 3.637 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCOc1ccccc1C ZINC000065534214 368623479 /nfs/dbraw/zinc/62/34/79/368623479.db2.gz RIPLFGKVJHAPFO-OAHLLOKOSA-N 1 0 249.398 3.884 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)Cc1ccccc1 ZINC000065595107 349859421 /nfs/dbraw/zinc/85/94/21/349859421.db2.gz XUOYIXFSLGBURP-UHFFFAOYSA-N 1 0 243.325 3.500 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)CC1CCCCC1 ZINC000065595552 368625677 /nfs/dbraw/zinc/62/56/77/368625677.db2.gz WHWKWECZLIPUIJ-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000065599102 368625802 /nfs/dbraw/zinc/62/58/02/368625802.db2.gz FPMNZJLPVRYNOI-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1occc1C[N@H+](C)CC1CCCCC1 ZINC000065603051 368625816 /nfs/dbraw/zinc/62/58/16/368625816.db2.gz RURIABZXSWBMPI-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000065607539 368625531 /nfs/dbraw/zinc/62/55/31/368625531.db2.gz PQKBKMMBQPTHQQ-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CCCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000065613784 368625403 /nfs/dbraw/zinc/62/54/03/368625403.db2.gz PJTIUPTVTJXGPP-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO Cc1occc1C[N@H+](C)C/C=C/c1ccccc1 ZINC000065613917 387983541 /nfs/dbraw/zinc/98/35/41/387983541.db2.gz NATGMOAZBGLRJA-RMKNXTFCSA-N 1 0 241.334 3.733 20 0 BHADRO c1cc(C[N@H+](Cc2ccccc2)C2CC2)cs1 ZINC000065684133 368626985 /nfs/dbraw/zinc/62/69/85/368626985.db2.gz VYJSOBSNBSGFBA-UHFFFAOYSA-N 1 0 243.375 3.913 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000065933724 324723009 /nfs/dbraw/zinc/72/30/09/324723009.db2.gz AKRZVLSGLQGCCZ-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCCC[NH+](CCCC)CCOC(C)(C)C ZINC000065950119 368635911 /nfs/dbraw/zinc/63/59/11/368635911.db2.gz ZJTHURHJJNOFLQ-UHFFFAOYSA-N 1 0 229.408 3.704 20 0 BHADRO CCCCC[N@H+](CCOC(C)(C)C)C(C)C ZINC000065950275 349872235 /nfs/dbraw/zinc/87/22/35/349872235.db2.gz SRAVAJOZIZHMMT-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO CC[N@H+](CCOC(C)(C)C)Cc1ccccc1C ZINC000065950392 368637252 /nfs/dbraw/zinc/63/72/52/368637252.db2.gz QVONQYHKNLFRLS-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CC(C)(C)OCC[N@H+](C1CC1)C1CCCCC1 ZINC000065950480 388679885 /nfs/dbraw/zinc/67/98/85/388679885.db2.gz APRMVFDWEGICMJ-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCOC(C)(C)C)cc1 ZINC000065950638 343836780 /nfs/dbraw/zinc/83/67/80/343836780.db2.gz MTGGOWQKPQHLQZ-CQSZACIVSA-N 1 0 249.398 3.803 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCOC(C)(C)C ZINC000065950807 324727333 /nfs/dbraw/zinc/72/73/33/324727333.db2.gz YQTKGSHKEGDEJG-UHFFFAOYSA-N 1 0 229.408 3.606 20 0 BHADRO C#CC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000065959990 632810090 /nfs/dbraw/zinc/81/00/90/632810090.db2.gz AVFGOVMGKXEFSJ-UHFFFAOYSA-N 1 0 245.341 3.594 20 0 BHADRO C#CC[N@@H+](Cc1cccc(F)c1)C1CCCCC1 ZINC000065960638 632810696 /nfs/dbraw/zinc/81/06/96/632810696.db2.gz DFNDAGCLBZYULC-UHFFFAOYSA-N 1 0 245.341 3.594 20 0 BHADRO Cc1cc(C)c(C[N@@H+](C)CC(C)C)c(C)c1 ZINC000065960915 370546951 /nfs/dbraw/zinc/54/69/51/370546951.db2.gz XTCZEKRVVATIJH-UHFFFAOYSA-N 1 0 219.372 3.700 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccccc1OC(C)C ZINC000065960979 361085002 /nfs/dbraw/zinc/08/50/02/361085002.db2.gz DCKSPQZCMSYVQE-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO CCCCc1nc(C[N@H+](C)CC(C)C)cs1 ZINC000065961000 361084810 /nfs/dbraw/zinc/08/48/10/361084810.db2.gz ZPTZYWUABWNSQO-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000065961445 361083786 /nfs/dbraw/zinc/08/37/86/361083786.db2.gz RMQOBUOWUFZYDZ-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO Cc1ccc(OCCC[N@@H+](C)CC(C)C)cc1C ZINC000065961471 368636092 /nfs/dbraw/zinc/63/60/92/368636092.db2.gz AEXGMNZWEHFNHL-UHFFFAOYSA-N 1 0 249.398 3.660 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000065962547 368638191 /nfs/dbraw/zinc/63/81/91/368638191.db2.gz QZOVBQZIEUMJOP-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO CCC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966314 632809799 /nfs/dbraw/zinc/80/97/99/632809799.db2.gz HUCPIPYXHAQPSP-UHFFFAOYSA-N 1 0 242.366 3.757 20 0 BHADRO C=CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966315 632810760 /nfs/dbraw/zinc/81/07/60/632810760.db2.gz GCHAAEFSPUTECU-UHFFFAOYSA-N 1 0 240.350 3.533 20 0 BHADRO c1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000065968667 368638380 /nfs/dbraw/zinc/63/83/80/368638380.db2.gz QTGGBRNVMGQYTI-RYTJFDOTSA-N 1 0 241.378 3.697 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000066141255 324597092 /nfs/dbraw/zinc/59/70/92/324597092.db2.gz KCWCCSRKORWBPL-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)c1ccccc1 ZINC000066162830 388711005 /nfs/dbraw/zinc/71/10/05/388711005.db2.gz FUHXPZMZUJDLER-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)c1ccccc1 ZINC000066162832 324737607 /nfs/dbraw/zinc/73/76/07/324737607.db2.gz FUHXPZMZUJDLER-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO CC[C@@H](C[NH2+]C1CCCC1)Oc1ccccc1C ZINC000066165238 632850853 /nfs/dbraw/zinc/85/08/53/632850853.db2.gz AISJFTQNBQGRSR-HNNXBMFYSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H](C[NH2+]C1CCCC1)Oc1ccccc1C ZINC000066165239 632850506 /nfs/dbraw/zinc/85/05/06/632850506.db2.gz AISJFTQNBQGRSR-OAHLLOKOSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](CC)Oc1cccc(C)c1 ZINC000066170145 388712192 /nfs/dbraw/zinc/71/21/92/388712192.db2.gz AHVPZQDZNGOZQM-ZIAGYGMSSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)CC)Oc1cccc(C)c1 ZINC000066170146 388712030 /nfs/dbraw/zinc/71/20/30/388712030.db2.gz AHVPZQDZNGOZQM-UONOGXRCSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](CC)Oc1cccc(C)c1 ZINC000066170147 388712075 /nfs/dbraw/zinc/71/20/75/388712075.db2.gz AHVPZQDZNGOZQM-KGLIPLIRSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](CC)Oc1cccc(C)c1 ZINC000066170148 388711657 /nfs/dbraw/zinc/71/16/57/388711657.db2.gz AHVPZQDZNGOZQM-KBPBESRZSA-N 1 0 235.371 3.541 20 0 BHADRO CCCCOc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000066181670 349869684 /nfs/dbraw/zinc/86/96/84/349869684.db2.gz IIQGNGVHKPOHLI-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCCOc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000066181671 349869669 /nfs/dbraw/zinc/86/96/69/349869669.db2.gz IIQGNGVHKPOHLI-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC(C)COc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000066182202 370554965 /nfs/dbraw/zinc/55/49/65/370554965.db2.gz XQNJDZGBYHMSKD-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO CC(C)COc1ccccc1C[NH2+]CC(C)(C)C ZINC000066182211 324738658 /nfs/dbraw/zinc/73/86/58/324738658.db2.gz YTQLHUMOEZSQLO-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO CC(C)COc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000066182217 370554813 /nfs/dbraw/zinc/55/48/13/370554813.db2.gz BHIAOJDFHQGARQ-UHFFFAOYSA-N 1 0 249.398 3.857 20 0 BHADRO [NH2+]=C(NCCCC1CCCC1)Nc1ccccc1 ZINC000066242210 636740764 /nfs/dbraw/zinc/74/07/64/636740764.db2.gz PJJAKLVOUJAKQC-UHFFFAOYSA-N 1 0 245.370 3.593 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000066405474 388717537 /nfs/dbraw/zinc/71/75/37/388717537.db2.gz MZYWXBLJOTYFAD-GFCCVEGCSA-N 1 0 244.338 3.592 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000066434169 324754247 /nfs/dbraw/zinc/75/42/47/324754247.db2.gz ZKOCNPSTVRDEGM-NSHDSACASA-N 1 0 217.312 3.836 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000066492201 388718878 /nfs/dbraw/zinc/71/88/78/388718878.db2.gz RHYJRVGUTNTEBJ-ZFWWWQNUSA-N 1 0 245.366 3.797 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000066492203 388718379 /nfs/dbraw/zinc/71/83/79/388718379.db2.gz RHYJRVGUTNTEBJ-HIFRSBDPSA-N 1 0 245.366 3.797 20 0 BHADRO c1csc(C[N@H+](C2CC2)[C@H]2C=CCCC2)c1 ZINC000066492526 398310227 /nfs/dbraw/zinc/31/02/27/398310227.db2.gz VKLNKVUXEFFJPQ-LBPRGKRZSA-N 1 0 233.380 3.821 20 0 BHADRO c1csc(C[N@H+](C2CC2)[C@@H]2C=CCCC2)c1 ZINC000066492528 398310219 /nfs/dbraw/zinc/31/02/19/398310219.db2.gz VKLNKVUXEFFJPQ-GFCCVEGCSA-N 1 0 233.380 3.821 20 0 BHADRO C1=C[C@H]([N@H+](C2CC2)C2CCCC2)CCC1 ZINC000066492798 388718922 /nfs/dbraw/zinc/71/89/22/388718922.db2.gz IKXNYZCDKBPLKA-LBPRGKRZSA-N 1 0 205.345 3.502 20 0 BHADRO C1=C[C@@H]([N@H+](C2CC2)C2CCCC2)CCC1 ZINC000066492799 388718580 /nfs/dbraw/zinc/71/85/80/388718580.db2.gz IKXNYZCDKBPLKA-GFCCVEGCSA-N 1 0 205.345 3.502 20 0 BHADRO c1cc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cs1 ZINC000066494427 398309998 /nfs/dbraw/zinc/30/99/98/398309998.db2.gz ZWNZTZLNUKVIKN-KBPBESRZSA-N 1 0 233.380 3.994 20 0 BHADRO c1cc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cs1 ZINC000066494429 398310237 /nfs/dbraw/zinc/31/02/37/398310237.db2.gz ZWNZTZLNUKVIKN-UONOGXRCSA-N 1 0 233.380 3.994 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2C=CCCC2)s1 ZINC000066498359 370585067 /nfs/dbraw/zinc/58/50/67/370585067.db2.gz XIBNDBSLNDOJKN-LBPRGKRZSA-N 1 0 221.369 3.597 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2C=CCCC2)s1 ZINC000066498360 370584912 /nfs/dbraw/zinc/58/49/12/370584912.db2.gz XIBNDBSLNDOJKN-GFCCVEGCSA-N 1 0 221.369 3.597 20 0 BHADRO COc1ccccc1C(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000066532589 324757812 /nfs/dbraw/zinc/75/78/12/324757812.db2.gz KQZXPAKDCLKGHW-ZDUSSCGKSA-N 1 0 245.366 3.629 20 0 BHADRO COc1ccccc1C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000066532592 324757493 /nfs/dbraw/zinc/75/74/93/324757493.db2.gz KQZXPAKDCLKGHW-CYBMUJFWSA-N 1 0 245.366 3.629 20 0 BHADRO c1cc2c(s1)CCC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000066539757 370586181 /nfs/dbraw/zinc/58/61/81/370586181.db2.gz FXEQNIODGKDCQF-ZDUSSCGKSA-N 1 0 233.380 3.605 20 0 BHADRO c1cc2c(s1)CCC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000066539760 370586558 /nfs/dbraw/zinc/58/65/58/370586558.db2.gz FXEQNIODGKDCQF-CYBMUJFWSA-N 1 0 233.380 3.605 20 0 BHADRO CCC[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541401 169087102 /nfs/dbraw/zinc/08/71/02/169087102.db2.gz MGVNUXDDXYDFOE-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CCC[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000066541403 169088212 /nfs/dbraw/zinc/08/82/12/169088212.db2.gz MGVNUXDDXYDFOE-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccoc2C)s1 ZINC000066587084 368653796 /nfs/dbraw/zinc/65/37/96/368653796.db2.gz TXPWCTDZYYKTTF-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000066696451 383880383 /nfs/dbraw/zinc/88/03/83/383880383.db2.gz NZDDCEWFKHKSAA-LLVKDONJSA-N 1 0 246.379 3.698 20 0 BHADRO C[C@@H](C[N@H+](C)CCOC(C)(C)C)c1ccccc1 ZINC000066853329 368663013 /nfs/dbraw/zinc/66/30/13/368663013.db2.gz XDKOZYGTEHECJI-AWEZNQCLSA-N 1 0 249.398 3.537 20 0 BHADRO C[C@H](C[N@H+](C)CCOC(C)(C)C)c1ccccc1 ZINC000066853330 368663046 /nfs/dbraw/zinc/66/30/46/368663046.db2.gz XDKOZYGTEHECJI-CQSZACIVSA-N 1 0 249.398 3.537 20 0 BHADRO CCCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000066861684 383896194 /nfs/dbraw/zinc/89/61/94/383896194.db2.gz FEEHUCDTSMPJQK-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CC(C)([NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000067011191 383907121 /nfs/dbraw/zinc/90/71/21/383907121.db2.gz YVYMJTVJNCEIBV-UHFFFAOYSA-N 1 0 249.741 3.958 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccs1 ZINC000067217551 635721369 /nfs/dbraw/zinc/72/13/69/635721369.db2.gz QBCNYDOGQGGMFC-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccs1 ZINC000067217553 176724945 /nfs/dbraw/zinc/72/49/45/176724945.db2.gz QBCNYDOGQGGMFC-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccsc1 ZINC000067217574 635721519 /nfs/dbraw/zinc/72/15/19/635721519.db2.gz GPQWGQFRTZHJRP-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccsc1 ZINC000067217576 635720640 /nfs/dbraw/zinc/72/06/40/635720640.db2.gz GPQWGQFRTZHJRP-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(Cl)s1 ZINC000067217810 368681505 /nfs/dbraw/zinc/68/15/05/368681505.db2.gz POXNDRSSMHBARI-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO Cc1occc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000067217870 361989494 /nfs/dbraw/zinc/98/94/94/361989494.db2.gz ZQFFUTACTSRCMI-IINYFYTJSA-N 1 0 245.322 3.594 20 0 BHADRO Cc1occc1C[NH2+]Cc1cc2ccccc2o1 ZINC000067217956 349882373 /nfs/dbraw/zinc/88/23/73/349882373.db2.gz TZNLAHBLZXSMPP-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccoc2C)cc1 ZINC000067218013 368681344 /nfs/dbraw/zinc/68/13/44/368681344.db2.gz GYQJHGLAAVZFKM-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO Cc1occc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000067218024 368681330 /nfs/dbraw/zinc/68/13/30/368681330.db2.gz PESGMJUAYUHFPV-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000067218053 368681199 /nfs/dbraw/zinc/68/11/99/368681199.db2.gz DAAAEAZBBJETLN-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1occc1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000067218164 343890666 /nfs/dbraw/zinc/89/06/66/343890666.db2.gz PHKGAVHHZWDFIM-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO CCCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000067462622 388734179 /nfs/dbraw/zinc/73/41/79/388734179.db2.gz IGIRBCFTBPSSGL-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO CCCC[N@H+](CCCCOC)Cc1ccccc1 ZINC000067462644 370671728 /nfs/dbraw/zinc/67/17/28/370671728.db2.gz LOTGRQLJFOOXQV-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccco1 ZINC000067501636 384891580 /nfs/dbraw/zinc/89/15/80/384891580.db2.gz OCCKXDNCFVKUFP-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO CCc1nc(C[N@@H+](CC)[C@H](C)C(C)C)cs1 ZINC000067661289 387097894 /nfs/dbraw/zinc/09/78/94/387097894.db2.gz DNSYAHZBUMZXNU-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000067716093 385219863 /nfs/dbraw/zinc/21/98/63/385219863.db2.gz FLAXRQMUDSIUAK-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)(C)OCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000067716094 385217918 /nfs/dbraw/zinc/21/79/18/385217918.db2.gz FLAXRQMUDSIUAK-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CCOC(C)(C)C ZINC000067716678 388738746 /nfs/dbraw/zinc/73/87/46/388738746.db2.gz FWICEJRNIATMON-NSHDSACASA-N 1 0 241.400 3.556 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CCOC(C)(C)C ZINC000067716679 388738505 /nfs/dbraw/zinc/73/85/05/388738505.db2.gz FWICEJRNIATMON-LLVKDONJSA-N 1 0 241.400 3.556 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000068449653 383994652 /nfs/dbraw/zinc/99/46/52/383994652.db2.gz SMZUSPVAHPOEQW-SNVBAGLBSA-N 1 0 234.368 3.527 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000068449656 171310093 /nfs/dbraw/zinc/31/00/93/171310093.db2.gz SMZUSPVAHPOEQW-JTQLQIEISA-N 1 0 234.368 3.527 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000068451146 350253917 /nfs/dbraw/zinc/25/39/17/350253917.db2.gz KFQWCRRJSIWJBV-LLVKDONJSA-N 1 0 246.329 3.604 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000068451148 350253934 /nfs/dbraw/zinc/25/39/34/350253934.db2.gz KFQWCRRJSIWJBV-NSHDSACASA-N 1 0 246.329 3.604 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000068591426 388794656 /nfs/dbraw/zinc/79/46/56/388794656.db2.gz COTQCPOOHWIVFA-OLZOCXBDSA-N 1 0 211.393 3.981 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000068591428 388794252 /nfs/dbraw/zinc/79/42/52/388794252.db2.gz COTQCPOOHWIVFA-STQMWFEESA-N 1 0 211.393 3.981 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000068591433 388794533 /nfs/dbraw/zinc/79/45/33/388794533.db2.gz COTQCPOOHWIVFA-CHWSQXEVSA-N 1 0 211.393 3.981 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000068591436 324886254 /nfs/dbraw/zinc/88/62/54/324886254.db2.gz COTQCPOOHWIVFA-QWHCGFSZSA-N 1 0 211.393 3.981 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000068840282 398098571 /nfs/dbraw/zinc/09/85/71/398098571.db2.gz QFDCWNNDBDZRDR-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO c1cc(C[NH2+]C2(c3ccccc3)CC2)cs1 ZINC000068980094 183388994 /nfs/dbraw/zinc/38/89/94/183388994.db2.gz DLRVGXYFQGDYKP-UHFFFAOYSA-N 1 0 229.348 3.527 20 0 BHADRO Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)s1 ZINC000068980104 368743604 /nfs/dbraw/zinc/74/36/04/368743604.db2.gz GHUICSSPJSMTOS-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000068980178 368743629 /nfs/dbraw/zinc/74/36/29/368743629.db2.gz LCMMDAWXBYFVQX-UHFFFAOYSA-N 1 0 237.346 3.774 20 0 BHADRO c1csc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000068980280 183388686 /nfs/dbraw/zinc/38/86/86/183388686.db2.gz VREDNQFJLHRXJC-UHFFFAOYSA-N 1 0 229.348 3.527 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccccc1 ZINC000068985279 388818963 /nfs/dbraw/zinc/81/89/63/388818963.db2.gz QGTWFOWSLACHOF-CQSZACIVSA-N 1 0 205.345 3.745 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccccc1 ZINC000068985282 388818843 /nfs/dbraw/zinc/81/88/43/388818843.db2.gz QGTWFOWSLACHOF-AWEZNQCLSA-N 1 0 205.345 3.745 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1cccs1 ZINC000068985551 168961028 /nfs/dbraw/zinc/96/10/28/168961028.db2.gz UKUWYKUTFYQOSV-GFCCVEGCSA-N 1 0 225.401 3.849 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1cccs1 ZINC000068985554 169000026 /nfs/dbraw/zinc/00/00/26/169000026.db2.gz UKUWYKUTFYQOSV-LBPRGKRZSA-N 1 0 225.401 3.849 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000068985758 398099255 /nfs/dbraw/zinc/09/92/55/398099255.db2.gz OVLSSEUVUDGJDK-QWHCGFSZSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000068985761 398099338 /nfs/dbraw/zinc/09/93/38/398099338.db2.gz OVLSSEUVUDGJDK-STQMWFEESA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000068985764 398099477 /nfs/dbraw/zinc/09/94/77/398099477.db2.gz OVLSSEUVUDGJDK-CHWSQXEVSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000068985767 169000073 /nfs/dbraw/zinc/00/00/73/169000073.db2.gz OVLSSEUVUDGJDK-OLZOCXBDSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000068985800 398099421 /nfs/dbraw/zinc/09/94/21/398099421.db2.gz XJBFSTAFQSPZKF-GXTWGEPZSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000068985802 169000140 /nfs/dbraw/zinc/00/01/40/169000140.db2.gz XJBFSTAFQSPZKF-JSGCOSHPSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000068985805 398099467 /nfs/dbraw/zinc/09/94/67/398099467.db2.gz XJBFSTAFQSPZKF-TZMCWYRMSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000068985808 169000118 /nfs/dbraw/zinc/00/01/18/169000118.db2.gz XJBFSTAFQSPZKF-OCCSQVGLSA-N 1 0 220.360 3.701 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C(C1CC1)C1CC1 ZINC000068985816 388818547 /nfs/dbraw/zinc/81/85/47/388818547.db2.gz CXYTWNQTZFXIBJ-CYBMUJFWSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+]C(C1CC1)C1CC1 ZINC000068985819 388818373 /nfs/dbraw/zinc/81/83/73/388818373.db2.gz CXYTWNQTZFXIBJ-ZDUSSCGKSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cccs1 ZINC000068985849 398099474 /nfs/dbraw/zinc/09/94/74/398099474.db2.gz LFRFAIZPFKQQOV-LLVKDONJSA-N 1 0 211.374 3.807 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cccs1 ZINC000068985851 169000282 /nfs/dbraw/zinc/00/02/82/169000282.db2.gz LFRFAIZPFKQQOV-NSHDSACASA-N 1 0 211.374 3.807 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccco1 ZINC000068986467 642816790 /nfs/dbraw/zinc/81/67/90/642816790.db2.gz RMVZWIORKURULT-QWHCGFSZSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)Cc1ccco1 ZINC000068986470 642817271 /nfs/dbraw/zinc/81/72/71/642817271.db2.gz RMVZWIORKURULT-STQMWFEESA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)Cc1ccco1 ZINC000068986473 642817057 /nfs/dbraw/zinc/81/70/57/642817057.db2.gz RMVZWIORKURULT-CHWSQXEVSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)Cc1ccco1 ZINC000068986476 642816578 /nfs/dbraw/zinc/81/65/78/642816578.db2.gz RMVZWIORKURULT-OLZOCXBDSA-N 1 0 223.360 3.769 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000068986865 343254423 /nfs/dbraw/zinc/25/44/23/343254423.db2.gz KFHUNUPLKNTKQO-LLVKDONJSA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000068986870 343254499 /nfs/dbraw/zinc/25/44/99/343254499.db2.gz KFHUNUPLKNTKQO-NSHDSACASA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000068986955 343254163 /nfs/dbraw/zinc/25/41/63/343254163.db2.gz YHSHFXYCXJEQPN-LLVKDONJSA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000068986956 169000063 /nfs/dbraw/zinc/00/00/63/169000063.db2.gz YHSHFXYCXJEQPN-NSHDSACASA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1csc(C)n1 ZINC000068986959 490138066 /nfs/dbraw/zinc/13/80/66/490138066.db2.gz MURBXQQEFYSGDF-LLVKDONJSA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1csc(C)n1 ZINC000068986960 490137997 /nfs/dbraw/zinc/13/79/97/490137997.db2.gz MURBXQQEFYSGDF-NSHDSACASA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1ccsc1 ZINC000068987080 324917520 /nfs/dbraw/zinc/91/75/20/324917520.db2.gz VROVOYGKVPVQRM-CYBMUJFWSA-N 1 0 225.401 3.849 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1ccsc1 ZINC000068987084 324917669 /nfs/dbraw/zinc/91/76/69/324917669.db2.gz VROVOYGKVPVQRM-ZDUSSCGKSA-N 1 0 225.401 3.849 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1nc(C)cs1 ZINC000068987757 490138087 /nfs/dbraw/zinc/13/80/87/490138087.db2.gz VOINEBVFLUVMSA-GFCCVEGCSA-N 1 0 240.416 3.552 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1nc(C)cs1 ZINC000068987762 490137968 /nfs/dbraw/zinc/13/79/68/490137968.db2.gz VOINEBVFLUVMSA-LBPRGKRZSA-N 1 0 240.416 3.552 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccsc1 ZINC000068987782 324918358 /nfs/dbraw/zinc/91/83/58/324918358.db2.gz MYYUECVXRKFXOI-GFCCVEGCSA-N 1 0 211.374 3.807 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccsc1 ZINC000068987785 388818897 /nfs/dbraw/zinc/81/88/97/388818897.db2.gz MYYUECVXRKFXOI-LBPRGKRZSA-N 1 0 211.374 3.807 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1scnc1C ZINC000068987807 324918207 /nfs/dbraw/zinc/91/82/07/324918207.db2.gz XJFVVELHLWMOSW-LLVKDONJSA-N 1 0 226.389 3.510 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1scnc1C ZINC000068987811 324918297 /nfs/dbraw/zinc/91/82/97/324918297.db2.gz XJFVVELHLWMOSW-NSHDSACASA-N 1 0 226.389 3.510 20 0 BHADRO CC[C@H]([NH2+]CCSC)c1cccc(Cl)c1 ZINC000068994253 385238724 /nfs/dbraw/zinc/23/87/24/385238724.db2.gz QUWGCEJUFMDRKM-LBPRGKRZSA-N 1 0 243.803 3.744 20 0 BHADRO CC[C@@H]([NH2+]CCSC)c1cccc(Cl)c1 ZINC000068994257 134897543 /nfs/dbraw/zinc/89/75/43/134897543.db2.gz QUWGCEJUFMDRKM-GFCCVEGCSA-N 1 0 243.803 3.744 20 0 BHADRO CC[C@H]([NH2+]CCSC)c1ccc(Cl)cc1 ZINC000068994858 535904649 /nfs/dbraw/zinc/90/46/49/535904649.db2.gz LSYRMLCIXPFBNH-LBPRGKRZSA-N 1 0 243.803 3.744 20 0 BHADRO CC[C@@H]([NH2+]CCSC)c1ccc(Cl)cc1 ZINC000068994862 385237300 /nfs/dbraw/zinc/23/73/00/385237300.db2.gz LSYRMLCIXPFBNH-GFCCVEGCSA-N 1 0 243.803 3.744 20 0 BHADRO CCCC[C@H]([NH2+]CCSC)c1ccccc1 ZINC000068995399 344531052 /nfs/dbraw/zinc/53/10/52/344531052.db2.gz YUVHDBGBLJHGDR-AWEZNQCLSA-N 1 0 237.412 3.871 20 0 BHADRO CCCC[C@@H]([NH2+]CCSC)c1ccccc1 ZINC000068995402 344530899 /nfs/dbraw/zinc/53/08/99/344530899.db2.gz YUVHDBGBLJHGDR-CQSZACIVSA-N 1 0 237.412 3.871 20 0 BHADRO CSCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000068995662 370870961 /nfs/dbraw/zinc/87/09/61/370870961.db2.gz PTHXURXGQSMFRD-CYBMUJFWSA-N 1 0 237.412 3.625 20 0 BHADRO CSCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000068995665 370871442 /nfs/dbraw/zinc/87/14/42/370871442.db2.gz PTHXURXGQSMFRD-ZDUSSCGKSA-N 1 0 237.412 3.625 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CCSC)cc1 ZINC000068996100 344531730 /nfs/dbraw/zinc/53/17/30/344531730.db2.gz VIRBKWZLMBZCBO-GFCCVEGCSA-N 1 0 237.412 3.653 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CCSC)cc1 ZINC000068996102 344531603 /nfs/dbraw/zinc/53/16/03/344531603.db2.gz VIRBKWZLMBZCBO-LBPRGKRZSA-N 1 0 237.412 3.653 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CCSC)cc1 ZINC000068996232 370871459 /nfs/dbraw/zinc/87/14/59/370871459.db2.gz WPNMLMZRHSQCEB-CQSZACIVSA-N 1 0 237.412 3.653 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CCSC)cc1 ZINC000068996236 370871114 /nfs/dbraw/zinc/87/11/14/370871114.db2.gz WPNMLMZRHSQCEB-AWEZNQCLSA-N 1 0 237.412 3.653 20 0 BHADRO CSCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000068997251 324919067 /nfs/dbraw/zinc/91/90/67/324919067.db2.gz KHEKGCYAMSFUIV-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCSC)s1 ZINC000068997445 324918994 /nfs/dbraw/zinc/91/89/94/324918994.db2.gz RPVZYOUZYLRALL-SNVBAGLBSA-N 1 0 243.441 3.714 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCSC)s1 ZINC000068997447 388817807 /nfs/dbraw/zinc/81/78/07/388817807.db2.gz RPVZYOUZYLRALL-JTQLQIEISA-N 1 0 243.441 3.714 20 0 BHADRO CSCCC[NH2+]C(CC(C)C)CC(C)C ZINC000068997494 388817710 /nfs/dbraw/zinc/81/77/10/388817710.db2.gz JTUCBTMZFDVKGY-UHFFFAOYSA-N 1 0 231.449 3.790 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000068997570 388818267 /nfs/dbraw/zinc/81/82/67/388818267.db2.gz MCZHGPCZPJUYTE-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000068997571 324918951 /nfs/dbraw/zinc/91/89/51/324918951.db2.gz MCZHGPCZPJUYTE-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000068997775 388817793 /nfs/dbraw/zinc/81/77/93/388817793.db2.gz TVSOYMCSTVRDJS-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCSC ZINC000068998160 388818465 /nfs/dbraw/zinc/81/84/65/388818465.db2.gz OVXAFUWDGWNSMY-VXGBXAGGSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCCSC ZINC000068998164 388817937 /nfs/dbraw/zinc/81/79/37/388817937.db2.gz OVXAFUWDGWNSMY-NWDGAFQWSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCCSC ZINC000068998167 324917623 /nfs/dbraw/zinc/91/76/23/324917623.db2.gz OVXAFUWDGWNSMY-NEPJUHHUSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCCSC ZINC000068998170 324917544 /nfs/dbraw/zinc/91/75/44/324917544.db2.gz OVXAFUWDGWNSMY-RYUDHWBXSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1ccc(F)cc1 ZINC000068998198 387110187 /nfs/dbraw/zinc/11/01/87/387110187.db2.gz TUQQCXKNYNDDKP-ZDUSSCGKSA-N 1 0 241.375 3.620 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1ccc(F)cc1 ZINC000068998200 387110460 /nfs/dbraw/zinc/11/04/60/387110460.db2.gz TUQQCXKNYNDDKP-CYBMUJFWSA-N 1 0 241.375 3.620 20 0 BHADRO CC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000069003672 323087618 /nfs/dbraw/zinc/08/76/18/323087618.db2.gz JKKMJISETUWUAS-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000069051266 176132148 /nfs/dbraw/zinc/13/21/48/176132148.db2.gz QPDUEZUJTFBBOR-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000069051267 177126352 /nfs/dbraw/zinc/12/63/52/177126352.db2.gz QPDUEZUJTFBBOR-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000069051268 176150962 /nfs/dbraw/zinc/15/09/62/176150962.db2.gz QPDUEZUJTFBBOR-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000069051269 177142913 /nfs/dbraw/zinc/14/29/13/177142913.db2.gz QPDUEZUJTFBBOR-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(F)cc1 ZINC000069065618 176031495 /nfs/dbraw/zinc/03/14/95/176031495.db2.gz ZRHKXGKTYBYBCH-NSHDSACASA-N 1 0 233.286 3.612 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(F)cc1 ZINC000069065621 177048105 /nfs/dbraw/zinc/04/81/05/177048105.db2.gz ZRHKXGKTYBYBCH-LLVKDONJSA-N 1 0 233.286 3.612 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000069068131 179068454 /nfs/dbraw/zinc/06/84/54/179068454.db2.gz DCEBVWKPKXIWAL-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000069068133 179069858 /nfs/dbraw/zinc/06/98/58/179069858.db2.gz DCEBVWKPKXIWAL-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000069068974 387111743 /nfs/dbraw/zinc/11/17/43/387111743.db2.gz NNQKQSDHRDHQDG-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000069068978 387111947 /nfs/dbraw/zinc/11/19/47/387111947.db2.gz NNQKQSDHRDHQDG-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccco1 ZINC000069070634 368744824 /nfs/dbraw/zinc/74/48/24/368744824.db2.gz HEOZLLNGFCBPCE-HNNXBMFYSA-N 1 0 229.323 3.863 20 0 BHADRO CC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000069071742 368744621 /nfs/dbraw/zinc/74/46/21/368744621.db2.gz FAXSJSDJVPIHGO-VIFPVBQESA-N 1 0 231.261 3.718 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCc1cccs1 ZINC000069072483 642826206 /nfs/dbraw/zinc/82/62/06/642826206.db2.gz QPVQFLZXRUSIQV-NSHDSACASA-N 1 0 235.352 3.577 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCc1cccs1 ZINC000069072486 642826236 /nfs/dbraw/zinc/82/62/36/642826236.db2.gz QPVQFLZXRUSIQV-LLVKDONJSA-N 1 0 235.352 3.577 20 0 BHADRO Cc1cc(C[N@H+](CC2CC2)C2CCCCC2)on1 ZINC000069079300 368744497 /nfs/dbraw/zinc/74/44/97/368744497.db2.gz VPMCVLRLKLRZKT-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@H+](CC2CC2)C2CCCCC2)no1 ZINC000069079413 368744403 /nfs/dbraw/zinc/74/44/03/368744403.db2.gz BFRDEBIWOQKBCO-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO CCC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000069092567 362508152 /nfs/dbraw/zinc/50/81/52/362508152.db2.gz XZFXXFJJKQZACN-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO CCC[N@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000069093105 388824672 /nfs/dbraw/zinc/82/46/72/388824672.db2.gz JVGOQFMPRXUQCU-UHFFFAOYSA-N 1 0 247.382 3.656 20 0 BHADRO CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000069099015 323089212 /nfs/dbraw/zinc/08/92/12/323089212.db2.gz JHEXJCCXGFCRNJ-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000069099019 323089214 /nfs/dbraw/zinc/08/92/14/323089214.db2.gz JHEXJCCXGFCRNJ-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO Cc1csc([C@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000069168559 632587414 /nfs/dbraw/zinc/58/74/14/632587414.db2.gz HSLWHICRNBVLDR-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000069168560 632586583 /nfs/dbraw/zinc/58/65/83/632586583.db2.gz HSLWHICRNBVLDR-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1nc(C)c(C)o1 ZINC000069172863 387116254 /nfs/dbraw/zinc/11/62/54/387116254.db2.gz BOJTWHJOPPYCNQ-UHFFFAOYSA-N 1 0 238.375 3.550 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)nc1)[C@@H](C)C(C)C ZINC000069222169 642841315 /nfs/dbraw/zinc/84/13/15/642841315.db2.gz AHGFLSUPWONOPH-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)nc1)[C@H](C)C(C)C ZINC000069222171 642841654 /nfs/dbraw/zinc/84/16/54/642841654.db2.gz AHGFLSUPWONOPH-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO CC(C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000069319855 350354102 /nfs/dbraw/zinc/35/41/02/350354102.db2.gz BTCBNKXWRLXRCG-UHFFFAOYSA-N 1 0 233.286 3.584 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccccc1OC ZINC000069370176 388834591 /nfs/dbraw/zinc/83/45/91/388834591.db2.gz ZHOAYHPTLBQNBO-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccccc1OC ZINC000069370179 324941295 /nfs/dbraw/zinc/94/12/95/324941295.db2.gz ZHOAYHPTLBQNBO-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1ccc(OC)cc1 ZINC000069370348 324941525 /nfs/dbraw/zinc/94/15/25/324941525.db2.gz IGHVHDWVMJFBSZ-OAHLLOKOSA-N 1 0 249.398 3.796 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1ccc(OC)cc1 ZINC000069370351 388835592 /nfs/dbraw/zinc/83/55/92/388835592.db2.gz IGHVHDWVMJFBSZ-HNNXBMFYSA-N 1 0 249.398 3.796 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000069370379 324941316 /nfs/dbraw/zinc/94/13/16/324941316.db2.gz RHEPTOPVIIYYKY-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000069370382 324941006 /nfs/dbraw/zinc/94/10/06/324941006.db2.gz RHEPTOPVIIYYKY-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000069376791 491114908 /nfs/dbraw/zinc/11/49/08/491114908.db2.gz YEEXTRNCQLEFRX-LSDHHAIUSA-N 1 0 231.383 3.885 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000069376792 491114911 /nfs/dbraw/zinc/11/49/11/491114911.db2.gz YEEXTRNCQLEFRX-GJZGRUSLSA-N 1 0 231.383 3.885 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1Cc2ccccc21 ZINC000069376795 491114949 /nfs/dbraw/zinc/11/49/49/491114949.db2.gz YEEXTRNCQLEFRX-HUUCEWRRSA-N 1 0 231.383 3.885 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1Cc2ccccc21 ZINC000069376803 491114898 /nfs/dbraw/zinc/11/48/98/491114898.db2.gz YEEXTRNCQLEFRX-CABCVRRESA-N 1 0 231.383 3.885 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000069376892 398103970 /nfs/dbraw/zinc/10/39/70/398103970.db2.gz SNQSAIASUOAXDM-CQSZACIVSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000069376898 323114604 /nfs/dbraw/zinc/11/46/04/323114604.db2.gz SNQSAIASUOAXDM-AWEZNQCLSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccccc1COC ZINC000069376951 323114942 /nfs/dbraw/zinc/11/49/42/323114942.db2.gz KQJHCQAZOGRFKV-MRXNPFEDSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccccc1COC ZINC000069376955 324943238 /nfs/dbraw/zinc/94/32/38/324943238.db2.gz KQJHCQAZOGRFKV-INIZCTEOSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000069378037 324943318 /nfs/dbraw/zinc/94/33/18/324943318.db2.gz PFORBSFPNAJQBL-MRXNPFEDSA-N 1 0 249.398 3.891 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000069378043 324943161 /nfs/dbraw/zinc/94/31/61/324943161.db2.gz PFORBSFPNAJQBL-INIZCTEOSA-N 1 0 249.398 3.891 20 0 BHADRO C(C[NH2+]C1CCCCCC1)C[C@@H]1CCCCO1 ZINC000069393841 388837526 /nfs/dbraw/zinc/83/75/26/388837526.db2.gz NCLJXFZKYVMHAQ-HNNXBMFYSA-N 1 0 239.403 3.648 20 0 BHADRO C(C[NH2+]C1CCCCCC1)C[C@H]1CCCCO1 ZINC000069393847 324943963 /nfs/dbraw/zinc/94/39/63/324943963.db2.gz NCLJXFZKYVMHAQ-OAHLLOKOSA-N 1 0 239.403 3.648 20 0 BHADRO CSCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000069427418 370930387 /nfs/dbraw/zinc/93/03/87/370930387.db2.gz IYFJCFGDCZBMET-AWEZNQCLSA-N 1 0 249.423 3.752 20 0 BHADRO CSCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000069427423 370930757 /nfs/dbraw/zinc/93/07/57/370930757.db2.gz IYFJCFGDCZBMET-CQSZACIVSA-N 1 0 249.423 3.752 20 0 BHADRO CSCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000069429799 370930837 /nfs/dbraw/zinc/93/08/37/370930837.db2.gz MBQWYUSPEKREJC-HUUCEWRRSA-N 1 0 249.423 3.665 20 0 BHADRO CSCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000069429803 370930817 /nfs/dbraw/zinc/93/08/17/370930817.db2.gz MBQWYUSPEKREJC-CABCVRRESA-N 1 0 249.423 3.665 20 0 BHADRO CSCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000069429807 370930212 /nfs/dbraw/zinc/93/02/12/370930212.db2.gz MBQWYUSPEKREJC-LSDHHAIUSA-N 1 0 249.423 3.665 20 0 BHADRO CSCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000069429810 370930854 /nfs/dbraw/zinc/93/08/54/370930854.db2.gz MBQWYUSPEKREJC-GJZGRUSLSA-N 1 0 249.423 3.665 20 0 BHADRO CSCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000069430505 388840338 /nfs/dbraw/zinc/84/03/38/388840338.db2.gz RNRSIRQFVMPSNR-LLVKDONJSA-N 1 0 249.379 3.755 20 0 BHADRO CSCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000069430509 388840191 /nfs/dbraw/zinc/84/01/91/388840191.db2.gz RNRSIRQFVMPSNR-NSHDSACASA-N 1 0 249.379 3.755 20 0 BHADRO CSCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000069434057 359029019 /nfs/dbraw/zinc/02/90/19/359029019.db2.gz FBOAUNIQXDKKOR-UHFFFAOYSA-N 1 0 245.391 3.683 20 0 BHADRO CSCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000069434178 359029681 /nfs/dbraw/zinc/02/96/81/359029681.db2.gz VBWMFBNSBSPUQM-OAHLLOKOSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000069434179 359029744 /nfs/dbraw/zinc/02/97/44/359029744.db2.gz VBWMFBNSBSPUQM-HNNXBMFYSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000069434265 324947673 /nfs/dbraw/zinc/94/76/73/324947673.db2.gz MHEJCQIIOUMRSX-UHFFFAOYSA-N 1 0 249.423 3.584 20 0 BHADRO CSCCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000069434277 359029724 /nfs/dbraw/zinc/02/97/24/359029724.db2.gz AWIQAQWKSDNGHJ-UHFFFAOYSA-N 1 0 249.423 3.584 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCC(=O)c1ccccc1 ZINC000069441465 411243352 /nfs/dbraw/zinc/24/33/52/411243352.db2.gz HZUCASNFTYGJSS-UHFFFAOYSA-N 1 0 247.382 3.770 20 0 BHADRO CCC(C)(C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000069447523 388841726 /nfs/dbraw/zinc/84/17/26/388841726.db2.gz ZSVXPSQGFMEPFY-UHFFFAOYSA-N 1 0 247.382 3.688 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C/C=C/c1ccccc1 ZINC000069519222 388847408 /nfs/dbraw/zinc/84/74/08/388847408.db2.gz VCWXAXJZSCFGRV-XYYIANASSA-N 1 0 241.334 3.986 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C/C=C/c1ccccc1 ZINC000069519223 388847590 /nfs/dbraw/zinc/84/75/90/388847590.db2.gz VCWXAXJZSCFGRV-OAUONFCTSA-N 1 0 241.334 3.986 20 0 BHADRO c1cncc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000069608100 362744513 /nfs/dbraw/zinc/74/45/13/362744513.db2.gz ZKNZUBHQPQXTFS-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000069630932 343287328 /nfs/dbraw/zinc/28/73/28/343287328.db2.gz NMTJQIBLTASOHO-ZDUSSCGKSA-N 1 0 209.333 3.757 20 0 BHADRO CCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000069630934 343287266 /nfs/dbraw/zinc/28/72/66/343287266.db2.gz NMTJQIBLTASOHO-CYBMUJFWSA-N 1 0 209.333 3.757 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccco1 ZINC000069635777 384051455 /nfs/dbraw/zinc/05/14/55/384051455.db2.gz OHKGGQFHPWGKGF-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccco1 ZINC000069635779 384050722 /nfs/dbraw/zinc/05/07/22/384050722.db2.gz OHKGGQFHPWGKGF-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CCCC1 ZINC000069635820 384051036 /nfs/dbraw/zinc/05/10/36/384051036.db2.gz UCNPOHFYYCZCAS-SNVBAGLBSA-N 1 0 209.358 3.650 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CCCC1 ZINC000069635822 384051814 /nfs/dbraw/zinc/05/18/14/384051814.db2.gz UCNPOHFYYCZCAS-JTQLQIEISA-N 1 0 209.358 3.650 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000069635831 384051747 /nfs/dbraw/zinc/05/17/47/384051747.db2.gz TYXVYEFNRRGOMH-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000069635832 384051165 /nfs/dbraw/zinc/05/11/65/384051165.db2.gz TYXVYEFNRRGOMH-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1sccc1C ZINC000069635833 168720023 /nfs/dbraw/zinc/72/00/23/168720023.db2.gz CIZDCNJVPORWPA-NSHDSACASA-N 1 0 211.374 3.897 20 0 BHADRO CCCCC[NH2+][C@H](C)c1sccc1C ZINC000069635834 384051208 /nfs/dbraw/zinc/05/12/08/384051208.db2.gz CIZDCNJVPORWPA-LLVKDONJSA-N 1 0 211.374 3.897 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000069635835 490177117 /nfs/dbraw/zinc/17/71/17/490177117.db2.gz QGMZEPKJUQRJMQ-MNOVXSKESA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000069635837 490177130 /nfs/dbraw/zinc/17/71/30/490177130.db2.gz QGMZEPKJUQRJMQ-QWRGUYRKSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000069635838 490176835 /nfs/dbraw/zinc/17/68/35/490176835.db2.gz QGMZEPKJUQRJMQ-GHMZBOCLSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000069635840 490176870 /nfs/dbraw/zinc/17/68/70/490176870.db2.gz QGMZEPKJUQRJMQ-WDEREUQCSA-N 1 0 211.374 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC(C)C ZINC000069635852 179551521 /nfs/dbraw/zinc/55/15/21/179551521.db2.gz DDOOYAVUFJJESZ-LLVKDONJSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC(C)C ZINC000069635853 384055317 /nfs/dbraw/zinc/05/53/17/384055317.db2.gz DDOOYAVUFJJESZ-NSHDSACASA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000069636054 324961933 /nfs/dbraw/zinc/96/19/33/324961933.db2.gz LNQJHFOJASNLAK-SNVBAGLBSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000069636056 324961949 /nfs/dbraw/zinc/96/19/49/324961949.db2.gz LNQJHFOJASNLAK-JTQLQIEISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000069636064 384053900 /nfs/dbraw/zinc/05/39/00/384053900.db2.gz NBLQFKDDRXQLQA-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cccs1 ZINC000069636065 384054701 /nfs/dbraw/zinc/05/47/01/384054701.db2.gz NBLQFKDDRXQLQA-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCCOC(C)C ZINC000069636132 384055007 /nfs/dbraw/zinc/05/50/07/384055007.db2.gz MSJXBJMOFHUDAD-GFCCVEGCSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCCOC(C)C ZINC000069636134 384054179 /nfs/dbraw/zinc/05/41/79/384054179.db2.gz MSJXBJMOFHUDAD-LBPRGKRZSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1CCC1 ZINC000069636218 383836932 /nfs/dbraw/zinc/83/69/32/383836932.db2.gz BAEHDJYZSYPNMX-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1CCC1 ZINC000069636220 383836546 /nfs/dbraw/zinc/83/65/46/383836546.db2.gz BAEHDJYZSYPNMX-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000069636242 388852928 /nfs/dbraw/zinc/85/29/28/388852928.db2.gz POKKELNBNXJQNM-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1CCCC1 ZINC000069636244 324962061 /nfs/dbraw/zinc/96/20/61/324962061.db2.gz POKKELNBNXJQNM-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCc1ccco1 ZINC000069636292 359030844 /nfs/dbraw/zinc/03/08/44/359030844.db2.gz FFYYYUFAWYJFKR-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCc1ccco1 ZINC000069636294 359030751 /nfs/dbraw/zinc/03/07/51/359030751.db2.gz FFYYYUFAWYJFKR-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000069636297 179551663 /nfs/dbraw/zinc/55/16/63/179551663.db2.gz DRJZIGVEYCWQQP-VHSXEESVSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000069636298 383838178 /nfs/dbraw/zinc/83/81/78/383838178.db2.gz DRJZIGVEYCWQQP-UWVGGRQHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000069636303 383837823 /nfs/dbraw/zinc/83/78/23/383837823.db2.gz DRJZIGVEYCWQQP-NXEZZACHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000069636305 383837579 /nfs/dbraw/zinc/83/75/79/383837579.db2.gz DRJZIGVEYCWQQP-ZJUUUORDSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000069636765 388853802 /nfs/dbraw/zinc/85/38/02/388853802.db2.gz OCMSVSDDPGYMLG-SNVBAGLBSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC(C)(C)C ZINC000069636767 324961834 /nfs/dbraw/zinc/96/18/34/324961834.db2.gz OCMSVSDDPGYMLG-JTQLQIEISA-N 1 0 211.374 3.753 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1sccc1C ZINC000069636770 324961793 /nfs/dbraw/zinc/96/17/93/324961793.db2.gz YDMOUJUKODJRNN-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1sccc1C ZINC000069636773 388853184 /nfs/dbraw/zinc/85/31/84/388853184.db2.gz YDMOUJUKODJRNN-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000069636953 388423192 /nfs/dbraw/zinc/42/31/92/388423192.db2.gz DCJRAMSQNNDCAJ-NXEZZACHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000069636954 179554733 /nfs/dbraw/zinc/55/47/33/179554733.db2.gz DCJRAMSQNNDCAJ-VHSXEESVSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000069636955 179552294 /nfs/dbraw/zinc/55/22/94/179552294.db2.gz DCJRAMSQNNDCAJ-ZJUUUORDSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000069636956 179554528 /nfs/dbraw/zinc/55/45/28/179554528.db2.gz DCJRAMSQNNDCAJ-UWVGGRQHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2sccc2C)o1 ZINC000069637011 373563674 /nfs/dbraw/zinc/56/36/74/373563674.db2.gz MBRNPHPNLASDSJ-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2sccc2C)o1 ZINC000069637013 373563991 /nfs/dbraw/zinc/56/39/91/373563991.db2.gz MBRNPHPNLASDSJ-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1sccc1C ZINC000069637030 388854294 /nfs/dbraw/zinc/85/42/94/388854294.db2.gz RKNVRIRYXOWBKJ-KOLCDFICSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1sccc1C ZINC000069637031 324962647 /nfs/dbraw/zinc/96/26/47/324962647.db2.gz RKNVRIRYXOWBKJ-ONGXEEELSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1sccc1C ZINC000069637032 388855460 /nfs/dbraw/zinc/85/54/60/388855460.db2.gz RKNVRIRYXOWBKJ-MWLCHTKSSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1sccc1C ZINC000069637033 388854333 /nfs/dbraw/zinc/85/43/33/388854333.db2.gz RKNVRIRYXOWBKJ-GXSJLCMTSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000069637046 388854693 /nfs/dbraw/zinc/85/46/93/388854693.db2.gz HRKHKBYODDHDKF-MRVPVSSYSA-N 1 0 237.290 3.660 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000069637047 324962555 /nfs/dbraw/zinc/96/25/55/324962555.db2.gz HRKHKBYODDHDKF-QMMMGPOBSA-N 1 0 237.290 3.660 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000069637050 343287148 /nfs/dbraw/zinc/28/71/48/343287148.db2.gz DENUFLUNUBBMAC-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000069637052 343287372 /nfs/dbraw/zinc/28/73/72/343287372.db2.gz DENUFLUNUBBMAC-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000069637055 324962782 /nfs/dbraw/zinc/96/27/82/324962782.db2.gz XZPJQRVVXAXABG-ZMLRMANQSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000069637057 343287258 /nfs/dbraw/zinc/28/72/58/343287258.db2.gz XZPJQRVVXAXABG-DLOVCJGASA-N 1 0 223.385 3.896 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cccs1 ZINC000069661949 343287967 /nfs/dbraw/zinc/28/79/67/343287967.db2.gz ZBIOKJWRVUBSKB-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cccs1 ZINC000069661953 343288204 /nfs/dbraw/zinc/28/82/04/343288204.db2.gz ZBIOKJWRVUBSKB-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccs1 ZINC000069661958 343288259 /nfs/dbraw/zinc/28/82/59/343288259.db2.gz ZBIOKJWRVUBSKB-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cccs1 ZINC000069661962 134901683 /nfs/dbraw/zinc/90/16/83/134901683.db2.gz ZBIOKJWRVUBSKB-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC2CC2)c(C)o1 ZINC000069662048 134901706 /nfs/dbraw/zinc/90/17/06/134901706.db2.gz QVBBBFSIKXJRRP-GXSJLCMTSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC2CC2)c(C)o1 ZINC000069662051 350375718 /nfs/dbraw/zinc/37/57/18/350375718.db2.gz QVBBBFSIKXJRRP-ONGXEEELSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC2CC2)c(C)o1 ZINC000069662053 133532151 /nfs/dbraw/zinc/53/21/51/133532151.db2.gz QVBBBFSIKXJRRP-MWLCHTKSSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC2CC2)c(C)o1 ZINC000069662056 350375545 /nfs/dbraw/zinc/37/55/45/350375545.db2.gz QVBBBFSIKXJRRP-KOLCDFICSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000069662118 388856264 /nfs/dbraw/zinc/85/62/64/388856264.db2.gz HFISINCFGVHTHX-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000069662123 324964803 /nfs/dbraw/zinc/96/48/03/324964803.db2.gz HFISINCFGVHTHX-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000069662125 324964573 /nfs/dbraw/zinc/96/45/73/324964573.db2.gz HFISINCFGVHTHX-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000069662131 324964795 /nfs/dbraw/zinc/96/47/95/324964795.db2.gz HFISINCFGVHTHX-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CC2CC2)s1 ZINC000069662144 388857085 /nfs/dbraw/zinc/85/70/85/388857085.db2.gz IGOZPSIIQDQHID-JTQLQIEISA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CC2CC2)s1 ZINC000069662148 324964846 /nfs/dbraw/zinc/96/48/46/324964846.db2.gz IGOZPSIIQDQHID-SNVBAGLBSA-N 1 0 223.385 3.589 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccccc1Cl ZINC000069662252 388856878 /nfs/dbraw/zinc/85/68/78/388856878.db2.gz GFASWPJKWFCSDO-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccccc1Cl ZINC000069662256 324964831 /nfs/dbraw/zinc/96/48/31/324964831.db2.gz GFASWPJKWFCSDO-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(Cl)cc1 ZINC000069662262 388857159 /nfs/dbraw/zinc/85/71/59/388857159.db2.gz IGSYWCNXCDIJGZ-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(Cl)cc1 ZINC000069662265 388856324 /nfs/dbraw/zinc/85/63/24/388856324.db2.gz IGSYWCNXCDIJGZ-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1 ZINC000069662306 324965619 /nfs/dbraw/zinc/96/56/19/324965619.db2.gz NVAOTMRHCISSJT-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1 ZINC000069662307 388856223 /nfs/dbraw/zinc/85/62/23/388856223.db2.gz NVAOTMRHCISSJT-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccsc1 ZINC000069662332 343288002 /nfs/dbraw/zinc/28/80/02/343288002.db2.gz PJRCIKGZUOBZRG-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccsc1 ZINC000069662336 343288268 /nfs/dbraw/zinc/28/82/68/343288268.db2.gz PJRCIKGZUOBZRG-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccsc1 ZINC000069662340 343288271 /nfs/dbraw/zinc/28/82/71/343288271.db2.gz PJRCIKGZUOBZRG-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccsc1 ZINC000069662347 343288093 /nfs/dbraw/zinc/28/80/93/343288093.db2.gz PJRCIKGZUOBZRG-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000069662566 324965445 /nfs/dbraw/zinc/96/54/45/324965445.db2.gz HNJAZEJHWBECOB-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000069662568 388857137 /nfs/dbraw/zinc/85/71/37/388857137.db2.gz HNJAZEJHWBECOB-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000069662573 388856230 /nfs/dbraw/zinc/85/62/30/388856230.db2.gz SYRPQUNJVYBMOD-IINYFYTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000069662574 388856111 /nfs/dbraw/zinc/85/61/11/388856111.db2.gz SYRPQUNJVYBMOD-QMTHXVAHSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000069662578 388857127 /nfs/dbraw/zinc/85/71/27/388857127.db2.gz SYRPQUNJVYBMOD-HZMBPMFUSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000069662582 388856944 /nfs/dbraw/zinc/85/69/44/388856944.db2.gz SYRPQUNJVYBMOD-YGRLFVJLSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CCCCCCC1 ZINC000069662654 643450104 /nfs/dbraw/zinc/45/01/04/643450104.db2.gz DCIBCWVZGNKZSI-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CCCCCCC1 ZINC000069662658 642891695 /nfs/dbraw/zinc/89/16/95/642891695.db2.gz DCIBCWVZGNKZSI-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1c(F)cccc1Cl ZINC000069662709 324067876 /nfs/dbraw/zinc/06/78/76/324067876.db2.gz RWSPMWORNJSWHK-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1c(F)cccc1Cl ZINC000069662714 324067984 /nfs/dbraw/zinc/06/79/84/324067984.db2.gz RWSPMWORNJSWHK-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000069662722 324068836 /nfs/dbraw/zinc/06/88/36/324068836.db2.gz OXRARPBRIXSXPO-RYUDHWBXSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000069662723 324068833 /nfs/dbraw/zinc/06/88/33/324068833.db2.gz OXRARPBRIXSXPO-NEPJUHHUSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000069662727 324965409 /nfs/dbraw/zinc/96/54/09/324965409.db2.gz OXRARPBRIXSXPO-NWDGAFQWSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000069662731 388856729 /nfs/dbraw/zinc/85/67/29/388856729.db2.gz OXRARPBRIXSXPO-VXGBXAGGSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000069662777 134901726 /nfs/dbraw/zinc/90/17/26/134901726.db2.gz PLWDPKNHIOVQGT-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000069662781 359031595 /nfs/dbraw/zinc/03/15/95/359031595.db2.gz PLWDPKNHIOVQGT-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000069662788 134901758 /nfs/dbraw/zinc/90/17/58/134901758.db2.gz PLWDPKNHIOVQGT-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000069662789 359031766 /nfs/dbraw/zinc/03/17/66/359031766.db2.gz PLWDPKNHIOVQGT-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000069662824 324965437 /nfs/dbraw/zinc/96/54/37/324965437.db2.gz IFMFSQQWAFGEGG-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000069662827 324965442 /nfs/dbraw/zinc/96/54/42/324965442.db2.gz IFMFSQQWAFGEGG-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000069662829 324965494 /nfs/dbraw/zinc/96/54/94/324965494.db2.gz IFMFSQQWAFGEGG-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000069662832 388857133 /nfs/dbraw/zinc/85/71/33/388857133.db2.gz IFMFSQQWAFGEGG-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000069662836 134901709 /nfs/dbraw/zinc/90/17/09/134901709.db2.gz VXSFRZLQQJRJPQ-NSHDSACASA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000069662838 359031949 /nfs/dbraw/zinc/03/19/49/359031949.db2.gz VXSFRZLQQJRJPQ-LLVKDONJSA-N 1 0 235.396 3.687 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)CC1CC1 ZINC000069663014 324964659 /nfs/dbraw/zinc/96/46/59/324964659.db2.gz LWGAASACHDTZGR-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)CC1CC1 ZINC000069663017 388857016 /nfs/dbraw/zinc/85/70/16/388857016.db2.gz LWGAASACHDTZGR-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000069663077 384055534 /nfs/dbraw/zinc/05/55/34/384055534.db2.gz LACTYJFPIZEHLM-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)CC2CC2)c1 ZINC000069663081 324965260 /nfs/dbraw/zinc/96/52/60/324965260.db2.gz LACTYJFPIZEHLM-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663321 388857037 /nfs/dbraw/zinc/85/70/37/388857037.db2.gz CSXPQEIFOXZZQF-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663327 324964666 /nfs/dbraw/zinc/96/46/66/324964666.db2.gz CSXPQEIFOXZZQF-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663331 324964851 /nfs/dbraw/zinc/96/48/51/324964851.db2.gz CSXPQEIFOXZZQF-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663334 388857131 /nfs/dbraw/zinc/85/71/31/388857131.db2.gz CSXPQEIFOXZZQF-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000069663627 324965348 /nfs/dbraw/zinc/96/53/48/324965348.db2.gz QQKVBHJZKBZJEF-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000069663631 324964978 /nfs/dbraw/zinc/96/49/78/324964978.db2.gz QQKVBHJZKBZJEF-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1F ZINC000069663690 324964797 /nfs/dbraw/zinc/96/47/97/324964797.db2.gz UHFUUVJSOGZKNH-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1F ZINC000069663693 324964872 /nfs/dbraw/zinc/96/48/72/324964872.db2.gz UHFUUVJSOGZKNH-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1F ZINC000069663698 388857125 /nfs/dbraw/zinc/85/71/25/388857125.db2.gz UHFUUVJSOGZKNH-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccccc1F ZINC000069663701 388856529 /nfs/dbraw/zinc/85/65/29/388856529.db2.gz UHFUUVJSOGZKNH-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(Cl)s1 ZINC000069663739 388856999 /nfs/dbraw/zinc/85/69/99/388856999.db2.gz OJBMAXKIINXSIG-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(Cl)s1 ZINC000069663743 388857180 /nfs/dbraw/zinc/85/71/80/388857180.db2.gz OJBMAXKIINXSIG-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)s1 ZINC000069663816 642891336 /nfs/dbraw/zinc/89/13/36/642891336.db2.gz YEFQEZGETXBGSI-GXSJLCMTSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)s1 ZINC000069663820 642891998 /nfs/dbraw/zinc/89/19/98/642891998.db2.gz YEFQEZGETXBGSI-ONGXEEELSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)s1 ZINC000069663822 642890540 /nfs/dbraw/zinc/89/05/40/642890540.db2.gz YEFQEZGETXBGSI-MWLCHTKSSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)s1 ZINC000069663826 642891245 /nfs/dbraw/zinc/89/12/45/642891245.db2.gz YEFQEZGETXBGSI-KOLCDFICSA-N 1 0 223.385 3.896 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000069663849 324965603 /nfs/dbraw/zinc/96/56/03/324965603.db2.gz PBXVKZXBNXZNHW-DCBWTQNWSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000069663851 388857098 /nfs/dbraw/zinc/85/70/98/388857098.db2.gz PBXVKZXBNXZNHW-LKSINWNRSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000069663892 388856979 /nfs/dbraw/zinc/85/69/79/388856979.db2.gz DJBNBEWSMOWWIH-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000069663893 324069731 /nfs/dbraw/zinc/06/97/31/324069731.db2.gz DJBNBEWSMOWWIH-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000069663896 324069823 /nfs/dbraw/zinc/06/98/23/324069823.db2.gz DJBNBEWSMOWWIH-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000069663898 324069706 /nfs/dbraw/zinc/06/97/06/324069706.db2.gz DJBNBEWSMOWWIH-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1cccs1 ZINC000069664145 388856439 /nfs/dbraw/zinc/85/64/39/388856439.db2.gz SAECOMLFUXRGLY-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccs1 ZINC000069664148 388856715 /nfs/dbraw/zinc/85/67/15/388856715.db2.gz SAECOMLFUXRGLY-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1cccs1 ZINC000069664150 388857044 /nfs/dbraw/zinc/85/70/44/388857044.db2.gz SAECOMLFUXRGLY-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1cccs1 ZINC000069664152 388857256 /nfs/dbraw/zinc/85/72/56/388857256.db2.gz SAECOMLFUXRGLY-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000069664191 324965557 /nfs/dbraw/zinc/96/55/57/324965557.db2.gz ZFNVJEVVMVJNKD-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000069664194 324965273 /nfs/dbraw/zinc/96/52/73/324965273.db2.gz ZFNVJEVVMVJNKD-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)C1CCCCC1 ZINC000069664197 324965606 /nfs/dbraw/zinc/96/56/06/324965606.db2.gz ZFNVJEVVMVJNKD-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)C1CCCCC1 ZINC000069664199 324965405 /nfs/dbraw/zinc/96/54/05/324965405.db2.gz ZFNVJEVVMVJNKD-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCc2sccc21 ZINC000069664225 359031914 /nfs/dbraw/zinc/03/19/14/359031914.db2.gz MLYZOUCAZKSVST-GXFFZTMASA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCc2sccc21 ZINC000069664227 134901850 /nfs/dbraw/zinc/90/18/50/134901850.db2.gz MLYZOUCAZKSVST-ZWNOBZJWSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCc2sccc21 ZINC000069664231 359031404 /nfs/dbraw/zinc/03/14/04/359031404.db2.gz MLYZOUCAZKSVST-GWCFXTLKSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCc2sccc21 ZINC000069664235 134901408 /nfs/dbraw/zinc/90/14/08/134901408.db2.gz MLYZOUCAZKSVST-MFKMUULPSA-N 1 0 235.396 3.904 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069664237 324965482 /nfs/dbraw/zinc/96/54/82/324965482.db2.gz KBHDRRMSOGJARB-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069664240 388857035 /nfs/dbraw/zinc/85/70/35/388857035.db2.gz KBHDRRMSOGJARB-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069664243 324965488 /nfs/dbraw/zinc/96/54/88/324965488.db2.gz KBHDRRMSOGJARB-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069664246 388856066 /nfs/dbraw/zinc/85/60/66/388856066.db2.gz KBHDRRMSOGJARB-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CC2)c(C)c1 ZINC000069664249 388857199 /nfs/dbraw/zinc/85/71/99/388857199.db2.gz ONDPRQFRZUWKLC-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CC2)c(C)c1 ZINC000069664252 388857248 /nfs/dbraw/zinc/85/72/48/388857248.db2.gz ONDPRQFRZUWKLC-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000069664321 324069421 /nfs/dbraw/zinc/06/94/21/324069421.db2.gz IHHOBMQJKAPELE-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000069664324 324069458 /nfs/dbraw/zinc/06/94/58/324069458.db2.gz IHHOBMQJKAPELE-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccc(F)c1 ZINC000069664327 324069770 /nfs/dbraw/zinc/06/97/70/324069770.db2.gz IHHOBMQJKAPELE-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC000069664330 324069795 /nfs/dbraw/zinc/06/97/95/324069795.db2.gz IHHOBMQJKAPELE-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1C ZINC000069664444 324069866 /nfs/dbraw/zinc/06/98/66/324069866.db2.gz VCLAGPNPRZGPND-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CC2)cc1C ZINC000069664448 324069513 /nfs/dbraw/zinc/06/95/13/324069513.db2.gz VCLAGPNPRZGPND-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CC2CC2)c1C ZINC000069664505 324070607 /nfs/dbraw/zinc/07/06/07/324070607.db2.gz VZKYIISQJGIIGR-LBPRGKRZSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CC2CC2)c1C ZINC000069664509 324070769 /nfs/dbraw/zinc/07/07/69/324070769.db2.gz VZKYIISQJGIIGR-GFCCVEGCSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000069664511 324070505 /nfs/dbraw/zinc/07/05/05/324070505.db2.gz GLDFQSWFXIFKAX-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000069664517 324070744 /nfs/dbraw/zinc/07/07/44/324070744.db2.gz GLDFQSWFXIFKAX-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(F)cc1Cl ZINC000069666278 324070824 /nfs/dbraw/zinc/07/08/24/324070824.db2.gz JEMGNAZSPUTKIG-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(F)cc1Cl ZINC000069666281 324070759 /nfs/dbraw/zinc/07/07/59/324070759.db2.gz JEMGNAZSPUTKIG-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1(C)CC1 ZINC000069674969 642893104 /nfs/dbraw/zinc/89/31/04/642893104.db2.gz LFRVEWQRZWCOGN-NDBYEHHHSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000069675201 324965901 /nfs/dbraw/zinc/96/59/01/324965901.db2.gz JRVPXJOKBRXZNR-WCFLWFBJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000069675207 388858542 /nfs/dbraw/zinc/85/85/42/388858542.db2.gz JRVPXJOKBRXZNR-KGYLQXTDSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000069675280 359033097 /nfs/dbraw/zinc/03/30/97/359033097.db2.gz WFOVPESDVLNBOF-COPLHBTASA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000069675287 359033052 /nfs/dbraw/zinc/03/30/52/359033052.db2.gz WFOVPESDVLNBOF-UHIISALHSA-N 1 0 221.344 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000069675426 324966890 /nfs/dbraw/zinc/96/68/90/324966890.db2.gz FVVZGZVUSLMDGP-YIYPIFLZSA-N 1 0 211.393 3.835 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000069675428 324966953 /nfs/dbraw/zinc/96/69/53/324966953.db2.gz FVVZGZVUSLMDGP-RFQIPJPRSA-N 1 0 211.393 3.835 20 0 BHADRO c1cc(CC[NH2+]CCC2CCCCC2)cs1 ZINC000069768660 388864546 /nfs/dbraw/zinc/86/45/46/388864546.db2.gz WPBGLAWYVAZUAC-UHFFFAOYSA-N 1 0 237.412 3.851 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1ccsc1 ZINC000069768827 384061053 /nfs/dbraw/zinc/06/10/53/384061053.db2.gz OPJUJESBFYIGSS-TZMCWYRMSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccsc1 ZINC000069768829 388864752 /nfs/dbraw/zinc/86/47/52/388864752.db2.gz OPJUJESBFYIGSS-GXTWGEPZSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccsc1 ZINC000069768831 324973989 /nfs/dbraw/zinc/97/39/89/324973989.db2.gz OPJUJESBFYIGSS-OCCSQVGLSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CCc1ccsc1 ZINC000069768832 388864699 /nfs/dbraw/zinc/86/46/99/388864699.db2.gz OPJUJESBFYIGSS-JSGCOSHPSA-N 1 0 237.412 3.707 20 0 BHADRO CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000069803529 351073351 /nfs/dbraw/zinc/07/33/51/351073351.db2.gz RPSVTNSRLJPOEA-UHFFFAOYSA-N 1 0 224.156 3.555 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)cs1 ZINC000069803886 359033398 /nfs/dbraw/zinc/03/33/98/359033398.db2.gz SBSARLXMZXBUSM-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)C2CCCC2)cs1 ZINC000069803887 359033573 /nfs/dbraw/zinc/03/35/73/359033573.db2.gz SBSARLXMZXBUSM-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)C2CCCC2)cs1 ZINC000069803889 359034106 /nfs/dbraw/zinc/03/41/06/359034106.db2.gz SBSARLXMZXBUSM-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)C2CCCC2)cs1 ZINC000069803891 359033418 /nfs/dbraw/zinc/03/34/18/359033418.db2.gz SBSARLXMZXBUSM-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)o1)C1CCCC1 ZINC000069804000 388867509 /nfs/dbraw/zinc/86/75/09/388867509.db2.gz MFFPVBRJRFREAG-VIFPVBQESA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CCCC1 ZINC000069804002 324979542 /nfs/dbraw/zinc/97/95/42/324979542.db2.gz MFFPVBRJRFREAG-SECBINFHSA-N 1 0 227.735 3.601 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)C1CCCC1 ZINC000069804113 388867584 /nfs/dbraw/zinc/86/75/84/388867584.db2.gz NVJLUVYCFZFXRH-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)C1CCCC1 ZINC000069804114 324979597 /nfs/dbraw/zinc/97/95/97/324979597.db2.gz NVJLUVYCFZFXRH-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000069833001 324981066 /nfs/dbraw/zinc/98/10/66/324981066.db2.gz QDKBUVYOLIXILI-UHFFFAOYSA-N 1 0 243.350 3.867 20 0 BHADRO c1cc(C[NH2+]Cc2ccc3ccccc3c2)co1 ZINC000069833032 388868611 /nfs/dbraw/zinc/86/86/11/388868611.db2.gz MUQNIEHRIQOYMU-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO c1cc(C[NH2+]Cc2csc3ccccc23)co1 ZINC000069833125 324980783 /nfs/dbraw/zinc/98/07/83/324980783.db2.gz KSBMUGHKJJABKA-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000069847716 711507625 /nfs/dbraw/zinc/50/76/25/711507625.db2.gz DLCFZQWHSNTLNP-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000069847721 642923748 /nfs/dbraw/zinc/92/37/48/642923748.db2.gz DLCFZQWHSNTLNP-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069861860 711894376 /nfs/dbraw/zinc/89/43/76/711894376.db2.gz ANJHGCWEYMOCMJ-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069861864 711894311 /nfs/dbraw/zinc/89/43/11/711894311.db2.gz ANJHGCWEYMOCMJ-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069861868 711894243 /nfs/dbraw/zinc/89/42/43/711894243.db2.gz ANJHGCWEYMOCMJ-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069861871 711894255 /nfs/dbraw/zinc/89/42/55/711894255.db2.gz ANJHGCWEYMOCMJ-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000069861875 711894354 /nfs/dbraw/zinc/89/43/54/711894354.db2.gz CIMGIHQZUZKCRX-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000069861883 711894370 /nfs/dbraw/zinc/89/43/70/711894370.db2.gz CIMGIHQZUZKCRX-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069862533 711894405 /nfs/dbraw/zinc/89/44/05/711894405.db2.gz VJCZSKBOGXTSMQ-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069862537 711894347 /nfs/dbraw/zinc/89/43/47/711894347.db2.gz VJCZSKBOGXTSMQ-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000069875135 370992079 /nfs/dbraw/zinc/99/20/79/370992079.db2.gz BNZVOEGKOGMJLM-NSHDSACASA-N 1 0 246.379 3.671 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000069900614 388870262 /nfs/dbraw/zinc/87/02/62/388870262.db2.gz ZWIZSCUQBFEJKK-JTQLQIEISA-N 1 0 217.287 3.649 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000069900616 388871001 /nfs/dbraw/zinc/87/10/01/388871001.db2.gz ZWIZSCUQBFEJKK-SNVBAGLBSA-N 1 0 217.287 3.649 20 0 BHADRO Cc1c[nH+]ccc1NCc1ccc(Cl)cc1 ZINC000070046426 359039918 /nfs/dbraw/zinc/03/99/18/359039918.db2.gz RFPCFGWTDBBDJD-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1c[nH+]ccc1NCc1ccccc1Cl ZINC000070046613 134907170 /nfs/dbraw/zinc/90/71/70/134907170.db2.gz JTFYIKSVYPSVGW-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1c[nH+]ccc1NC1CCCCCC1 ZINC000070046879 324991659 /nfs/dbraw/zinc/99/16/59/324991659.db2.gz IWQVUHTZEGPPDC-UHFFFAOYSA-N 1 0 204.317 3.525 20 0 BHADRO Cc1c[nH+]ccc1NCCC1=CCCCC1 ZINC000070047149 359040416 /nfs/dbraw/zinc/04/04/16/359040416.db2.gz MGXQQPBMDPJQPD-UHFFFAOYSA-N 1 0 216.328 3.692 20 0 BHADRO Cc1ccc([C@@H](C)Nc2cc[nH+]cc2C)s1 ZINC000070047230 642960116 /nfs/dbraw/zinc/96/01/16/642960116.db2.gz YQKTXORHRNSRLB-LLVKDONJSA-N 1 0 232.352 3.933 20 0 BHADRO Cc1ccc([C@H](C)Nc2cc[nH+]cc2C)s1 ZINC000070047231 642958555 /nfs/dbraw/zinc/95/85/55/642958555.db2.gz YQKTXORHRNSRLB-NSHDSACASA-N 1 0 232.352 3.933 20 0 BHADRO Cc1c[nH+]ccc1NCc1cccc(Cl)c1 ZINC000070047374 350498054 /nfs/dbraw/zinc/49/80/54/350498054.db2.gz FVBAOLYXRUJULF-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1F ZINC000070073225 359039998 /nfs/dbraw/zinc/03/99/98/359039998.db2.gz FQJITYFAYJEDHB-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccco2)cc1F ZINC000070073226 359040408 /nfs/dbraw/zinc/04/04/08/359040408.db2.gz FQJITYFAYJEDHB-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1sccc1C ZINC000070089524 168390867 /nfs/dbraw/zinc/39/08/67/168390867.db2.gz USVWMMHAEMGWOM-JTQLQIEISA-N 1 0 211.374 3.896 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1sccc1C ZINC000070089525 168392845 /nfs/dbraw/zinc/39/28/45/168392845.db2.gz USVWMMHAEMGWOM-SNVBAGLBSA-N 1 0 211.374 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCc1ccccc1 ZINC000070089712 322951543 /nfs/dbraw/zinc/95/15/43/322951543.db2.gz XHGICUIVKGWGCZ-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCc1ccccc1 ZINC000070089713 388876520 /nfs/dbraw/zinc/87/65/20/388876520.db2.gz XHGICUIVKGWGCZ-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000070089890 384076956 /nfs/dbraw/zinc/07/69/56/384076956.db2.gz KZQHQRTWDDVQED-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000070089891 384076824 /nfs/dbraw/zinc/07/68/24/384076824.db2.gz KZQHQRTWDDVQED-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000070089892 398125236 /nfs/dbraw/zinc/12/52/36/398125236.db2.gz KZQHQRTWDDVQED-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000070089893 398125559 /nfs/dbraw/zinc/12/55/59/398125559.db2.gz KZQHQRTWDDVQED-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000070089940 398125213 /nfs/dbraw/zinc/12/52/13/398125213.db2.gz DKRJCTULCQBQIA-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000070089941 398125453 /nfs/dbraw/zinc/12/54/53/398125453.db2.gz DKRJCTULCQBQIA-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000070089942 384078209 /nfs/dbraw/zinc/07/82/09/384078209.db2.gz DKRJCTULCQBQIA-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000070089943 384077950 /nfs/dbraw/zinc/07/79/50/384077950.db2.gz DKRJCTULCQBQIA-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000070090744 642968198 /nfs/dbraw/zinc/96/81/98/642968198.db2.gz QAUYJGSILPLNMI-NWDGAFQWSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000070090745 642969867 /nfs/dbraw/zinc/96/98/67/642969867.db2.gz QAUYJGSILPLNMI-RYUDHWBXSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000070090746 642418194 /nfs/dbraw/zinc/41/81/94/642418194.db2.gz QAUYJGSILPLNMI-VXGBXAGGSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000070090747 642968756 /nfs/dbraw/zinc/96/87/56/642968756.db2.gz QAUYJGSILPLNMI-NEPJUHHUSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000070092063 323166305 /nfs/dbraw/zinc/16/63/05/323166305.db2.gz FJIBMAZEHCTZSQ-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000070092064 323166375 /nfs/dbraw/zinc/16/63/75/323166375.db2.gz FJIBMAZEHCTZSQ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000070092145 384077920 /nfs/dbraw/zinc/07/79/20/384077920.db2.gz CJLXQHSOZXNGOF-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000070092146 384077493 /nfs/dbraw/zinc/07/74/93/384077493.db2.gz CJLXQHSOZXNGOF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000070100481 388876161 /nfs/dbraw/zinc/87/61/61/388876161.db2.gz CNKDJPQDDKDROD-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000070100482 324994566 /nfs/dbraw/zinc/99/45/66/324994566.db2.gz CNKDJPQDDKDROD-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(F)cc1F ZINC000070100483 388876643 /nfs/dbraw/zinc/87/66/43/388876643.db2.gz CNKDJPQDDKDROD-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000070100484 388876610 /nfs/dbraw/zinc/87/66/10/388876610.db2.gz CNKDJPQDDKDROD-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070100489 388876410 /nfs/dbraw/zinc/87/64/10/388876410.db2.gz JQVDZGAOUUAYCB-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000070100490 324994562 /nfs/dbraw/zinc/99/45/62/324994562.db2.gz JQVDZGAOUUAYCB-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070100491 388875763 /nfs/dbraw/zinc/87/57/63/388875763.db2.gz JQVDZGAOUUAYCB-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000070100492 388876670 /nfs/dbraw/zinc/87/66/70/388876670.db2.gz JQVDZGAOUUAYCB-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070100493 388875857 /nfs/dbraw/zinc/87/58/57/388875857.db2.gz HINZPORDDWJUJU-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070100494 388876562 /nfs/dbraw/zinc/87/65/62/388876562.db2.gz HINZPORDDWJUJU-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070100495 323166593 /nfs/dbraw/zinc/16/65/93/323166593.db2.gz HINZPORDDWJUJU-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070100496 323166643 /nfs/dbraw/zinc/16/66/43/323166643.db2.gz HINZPORDDWJUJU-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc2ccccc2o1 ZINC000070100501 323166644 /nfs/dbraw/zinc/16/66/44/323166644.db2.gz CTMIUIBDYWWTQY-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc2ccccc2o1 ZINC000070100502 323166622 /nfs/dbraw/zinc/16/66/22/323166622.db2.gz CTMIUIBDYWWTQY-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000070100583 323166720 /nfs/dbraw/zinc/16/67/20/323166720.db2.gz ORRYSSLERFOYIP-LRDDRELGSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000070100584 323166735 /nfs/dbraw/zinc/16/67/35/323166735.db2.gz ORRYSSLERFOYIP-WBMJQRKESA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000070100585 323166708 /nfs/dbraw/zinc/16/67/08/323166708.db2.gz ORRYSSLERFOYIP-BLLLJJGKSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000070100586 323166776 /nfs/dbraw/zinc/16/67/76/323166776.db2.gz ORRYSSLERFOYIP-MLGOLLRUSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000070100621 323166721 /nfs/dbraw/zinc/16/67/21/323166721.db2.gz YARHSTKSMCOLKC-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000070100622 323166702 /nfs/dbraw/zinc/16/67/02/323166702.db2.gz YARHSTKSMCOLKC-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1c(F)cccc1F ZINC000070100623 323166690 /nfs/dbraw/zinc/16/66/90/323166690.db2.gz YARHSTKSMCOLKC-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1c(F)cccc1F ZINC000070100624 323166760 /nfs/dbraw/zinc/16/67/60/323166760.db2.gz YARHSTKSMCOLKC-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070100627 323166783 /nfs/dbraw/zinc/16/67/83/323166783.db2.gz ZGBMMZYEEZSGCO-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000070100628 323166833 /nfs/dbraw/zinc/16/68/33/323166833.db2.gz ZGBMMZYEEZSGCO-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070100629 323166887 /nfs/dbraw/zinc/16/68/87/323166887.db2.gz ZGBMMZYEEZSGCO-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000070100630 323166861 /nfs/dbraw/zinc/16/68/61/323166861.db2.gz ZGBMMZYEEZSGCO-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000070100737 323167052 /nfs/dbraw/zinc/16/70/52/323167052.db2.gz JFPOPPVAMXNDTO-XGNXJENSSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000070100738 323167006 /nfs/dbraw/zinc/16/70/06/323167006.db2.gz JFPOPPVAMXNDTO-LMWSTFAQSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1OC ZINC000070100749 642968908 /nfs/dbraw/zinc/96/89/08/642968908.db2.gz LBEXDDMAVCOIMZ-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1OC ZINC000070100750 642968797 /nfs/dbraw/zinc/96/87/97/642968797.db2.gz LBEXDDMAVCOIMZ-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccccc1OC ZINC000070100751 642970498 /nfs/dbraw/zinc/97/04/98/642970498.db2.gz LBEXDDMAVCOIMZ-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccccc1OC ZINC000070100752 642969882 /nfs/dbraw/zinc/96/98/82/642969882.db2.gz LBEXDDMAVCOIMZ-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070100922 323167345 /nfs/dbraw/zinc/16/73/45/323167345.db2.gz WLXNJPDCFGTJGK-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000070100923 323167360 /nfs/dbraw/zinc/16/73/60/323167360.db2.gz WLXNJPDCFGTJGK-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CC(c2ccccc2)C1 ZINC000070101206 323167170 /nfs/dbraw/zinc/16/71/70/323167170.db2.gz UXFGAUOWSLSDEP-JQRITLKVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CC(c2ccccc2)C1 ZINC000070101207 323167160 /nfs/dbraw/zinc/16/71/60/323167160.db2.gz UXFGAUOWSLSDEP-UWTIGNOOSA-N 1 0 229.367 3.711 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)CC2CC2)cc1C ZINC000070101236 323167157 /nfs/dbraw/zinc/16/71/57/323167157.db2.gz WKDBFNYINXMWQV-AWEZNQCLSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)CC2CC2)cc1C ZINC000070101237 323167172 /nfs/dbraw/zinc/16/71/72/323167172.db2.gz WKDBFNYINXMWQV-CQSZACIVSA-N 1 0 231.383 3.890 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000070101268 323167083 /nfs/dbraw/zinc/16/70/83/323167083.db2.gz ZXBBLBSTGAUAOS-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000070101269 323167147 /nfs/dbraw/zinc/16/71/47/323167147.db2.gz ZXBBLBSTGAUAOS-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000070101270 323167131 /nfs/dbraw/zinc/16/71/31/323167131.db2.gz ZXBBLBSTGAUAOS-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000070101271 323167176 /nfs/dbraw/zinc/16/71/76/323167176.db2.gz ZXBBLBSTGAUAOS-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000070101296 323167093 /nfs/dbraw/zinc/16/70/93/323167093.db2.gz QFKOSLGMGLIVJA-KBPBESRZSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000070101297 323167120 /nfs/dbraw/zinc/16/71/20/323167120.db2.gz QFKOSLGMGLIVJA-KGLIPLIRSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000070101298 323167084 /nfs/dbraw/zinc/16/70/84/323167084.db2.gz QFKOSLGMGLIVJA-UONOGXRCSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)CC1CC1 ZINC000070101299 323167082 /nfs/dbraw/zinc/16/70/82/323167082.db2.gz QFKOSLGMGLIVJA-ZIAGYGMSSA-N 1 0 231.383 3.786 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070101470 323167187 /nfs/dbraw/zinc/16/71/87/323167187.db2.gz YOCRXEGSMVHCCU-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070101471 323167191 /nfs/dbraw/zinc/16/71/91/323167191.db2.gz YOCRXEGSMVHCCU-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000070101472 323167290 /nfs/dbraw/zinc/16/72/90/323167290.db2.gz YOCRXEGSMVHCCU-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000070101473 323167215 /nfs/dbraw/zinc/16/72/15/323167215.db2.gz YOCRXEGSMVHCCU-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101588 323167182 /nfs/dbraw/zinc/16/71/82/323167182.db2.gz CJEJJESKACUNCN-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000070101589 323167197 /nfs/dbraw/zinc/16/71/97/323167197.db2.gz CJEJJESKACUNCN-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101630 388875962 /nfs/dbraw/zinc/87/59/62/388875962.db2.gz CTNLBLZMUHTJHS-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000070101631 388876681 /nfs/dbraw/zinc/87/66/81/388876681.db2.gz CTNLBLZMUHTJHS-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101632 324994666 /nfs/dbraw/zinc/99/46/66/324994666.db2.gz CTNLBLZMUHTJHS-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000070101633 388875820 /nfs/dbraw/zinc/87/58/20/388875820.db2.gz CTNLBLZMUHTJHS-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)CC1CC1 ZINC000070101668 323167444 /nfs/dbraw/zinc/16/74/44/323167444.db2.gz JQAWVAAAZRCKLU-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)CC1CC1 ZINC000070101669 323167410 /nfs/dbraw/zinc/16/74/10/323167410.db2.gz JQAWVAAAZRCKLU-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CSCc2ccccc21 ZINC000070101700 490271253 /nfs/dbraw/zinc/27/12/53/490271253.db2.gz PWJOCNISQJREAY-XHDPSFHLSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CSCc2ccccc21 ZINC000070101701 490270906 /nfs/dbraw/zinc/27/09/06/490270906.db2.gz PWJOCNISQJREAY-IAQYHMDHSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CSCc2ccccc21 ZINC000070101702 490271120 /nfs/dbraw/zinc/27/11/20/490271120.db2.gz PWJOCNISQJREAY-NHYWBVRUSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CSCc2ccccc21 ZINC000070101703 490199569 /nfs/dbraw/zinc/19/95/69/490199569.db2.gz PWJOCNISQJREAY-ABAIWWIYSA-N 1 0 247.407 3.753 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101714 323167499 /nfs/dbraw/zinc/16/74/99/323167499.db2.gz LHYORWNDFNCBCC-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000070101715 323167467 /nfs/dbraw/zinc/16/74/67/323167467.db2.gz LHYORWNDFNCBCC-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccc(OC)cc1 ZINC000070101752 359041221 /nfs/dbraw/zinc/04/12/21/359041221.db2.gz INZIVLNJVHCDDN-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(OC)cc1 ZINC000070101753 535807957 /nfs/dbraw/zinc/80/79/57/535807957.db2.gz INZIVLNJVHCDDN-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccc(OC)cc1 ZINC000070101754 134908627 /nfs/dbraw/zinc/90/86/27/134908627.db2.gz INZIVLNJVHCDDN-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccc(OC)cc1 ZINC000070101755 359041077 /nfs/dbraw/zinc/04/10/77/359041077.db2.gz INZIVLNJVHCDDN-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000070101760 323167426 /nfs/dbraw/zinc/16/74/26/323167426.db2.gz QGESYVFDTFFABF-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000070101761 323167500 /nfs/dbraw/zinc/16/75/00/323167500.db2.gz QGESYVFDTFFABF-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cc(F)ccc1F ZINC000070101762 323167408 /nfs/dbraw/zinc/16/74/08/323167408.db2.gz QGESYVFDTFFABF-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000070101763 323167424 /nfs/dbraw/zinc/16/74/24/323167424.db2.gz QGESYVFDTFFABF-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070101872 388876704 /nfs/dbraw/zinc/87/67/04/388876704.db2.gz RHSNFHXYJURCFI-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000070101873 324994557 /nfs/dbraw/zinc/99/45/57/324994557.db2.gz RHSNFHXYJURCFI-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000070102174 323167477 /nfs/dbraw/zinc/16/74/77/323167477.db2.gz ALMXRHNOIFBOQX-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000070102175 323167516 /nfs/dbraw/zinc/16/75/16/323167516.db2.gz ALMXRHNOIFBOQX-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000070102176 323167498 /nfs/dbraw/zinc/16/74/98/323167498.db2.gz ALMXRHNOIFBOQX-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000070102177 323167418 /nfs/dbraw/zinc/16/74/18/323167418.db2.gz ALMXRHNOIFBOQX-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc2ccccc2n1 ZINC000070102588 134908609 /nfs/dbraw/zinc/90/86/09/134908609.db2.gz DFILHEPDMMOLMQ-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc2ccccc2n1 ZINC000070102589 359042086 /nfs/dbraw/zinc/04/20/86/359042086.db2.gz DFILHEPDMMOLMQ-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000070112475 324993940 /nfs/dbraw/zinc/99/39/40/324993940.db2.gz NGSYFOSQNIGTQH-YIYPIFLZSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000070112476 324993618 /nfs/dbraw/zinc/99/36/18/324993618.db2.gz NGSYFOSQNIGTQH-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO CCCCCC[NH2+]Cc1cccc(F)c1F ZINC000070159735 642978943 /nfs/dbraw/zinc/97/89/43/642978943.db2.gz LVHLZGMGQXPGEI-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2F)cc1F ZINC000070160135 384763843 /nfs/dbraw/zinc/76/38/43/384763843.db2.gz CHZMXIQYLAVIJB-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2C)cc1F ZINC000070160138 642977997 /nfs/dbraw/zinc/97/79/97/642977997.db2.gz XDRVRFMIINJFGD-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1 ZINC000070160139 642979246 /nfs/dbraw/zinc/97/92/46/642979246.db2.gz IPNBLWYYFIXKBL-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000070160140 179093680 /nfs/dbraw/zinc/09/36/80/179093680.db2.gz YQRXZCINLJOGTJ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1F ZINC000070160149 323169869 /nfs/dbraw/zinc/16/98/69/323169869.db2.gz VTBWVLZKOJLMEB-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1F ZINC000070160150 323169877 /nfs/dbraw/zinc/16/98/77/323169877.db2.gz VTBWVLZKOJLMEB-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)s1 ZINC000070160154 398127605 /nfs/dbraw/zinc/12/76/05/398127605.db2.gz NZMTUYUDVYUJJD-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCCCC2)cc1F ZINC000070160156 323169887 /nfs/dbraw/zinc/16/98/87/323169887.db2.gz DJILCAWXJPAPQR-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C)CC2)cc1F ZINC000070160160 323169886 /nfs/dbraw/zinc/16/98/86/323169886.db2.gz GUBSXAKBJCEOKS-UHFFFAOYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1F ZINC000070160168 178625112 /nfs/dbraw/zinc/62/51/12/178625112.db2.gz QCVBGUIFNJXSHN-SWLSCSKDSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1F ZINC000070160169 384757827 /nfs/dbraw/zinc/75/78/27/384757827.db2.gz QCVBGUIFNJXSHN-WFASDCNBSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1F ZINC000070160170 178623846 /nfs/dbraw/zinc/62/38/46/178623846.db2.gz QCVBGUIFNJXSHN-IUODEOHRSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1F ZINC000070160171 384757554 /nfs/dbraw/zinc/75/75/54/384757554.db2.gz QCVBGUIFNJXSHN-DOMZBBRYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1F ZINC000070160436 398221667 /nfs/dbraw/zinc/22/16/67/398221667.db2.gz BJGXGKJJUPBXRJ-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1F ZINC000070160437 398221616 /nfs/dbraw/zinc/22/16/16/398221616.db2.gz BJGXGKJJUPBXRJ-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1F ZINC000070168266 324996566 /nfs/dbraw/zinc/99/65/66/324996566.db2.gz MTNLXBLQXRQQOX-SMDDNHRTSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1F ZINC000070168267 324997011 /nfs/dbraw/zinc/99/70/11/324997011.db2.gz MTNLXBLQXRQQOX-FZMZJTMJSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1F ZINC000070168268 324996807 /nfs/dbraw/zinc/99/68/07/324996807.db2.gz MTNLXBLQXRQQOX-BXUZGUMPSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1F ZINC000070168269 324997160 /nfs/dbraw/zinc/99/71/60/324997160.db2.gz MTNLXBLQXRQQOX-RISCZKNCSA-N 1 0 235.346 3.802 20 0 BHADRO CCC(C)(C)C1CCC([NH2+]CCSC)CC1 ZINC000070184120 345454229 /nfs/dbraw/zinc/45/42/29/345454229.db2.gz BIAHGIVWNTXUJP-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO CSCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000070184144 345454524 /nfs/dbraw/zinc/45/45/24/345454524.db2.gz NIEFPVCTODNZHN-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000070184157 323172149 /nfs/dbraw/zinc/17/21/49/323172149.db2.gz SLIRIAMBLIQPHP-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000070184158 323172169 /nfs/dbraw/zinc/17/21/69/323172169.db2.gz SLIRIAMBLIQPHP-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000070184159 323172055 /nfs/dbraw/zinc/17/20/55/323172055.db2.gz SLIRIAMBLIQPHP-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000070184160 323172125 /nfs/dbraw/zinc/17/21/25/323172125.db2.gz SLIRIAMBLIQPHP-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000070184483 642989826 /nfs/dbraw/zinc/98/98/26/642989826.db2.gz LQFKXBYQAJBFGX-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000070184485 642990881 /nfs/dbraw/zinc/99/08/81/642990881.db2.gz LQFKXBYQAJBFGX-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000070184512 323172063 /nfs/dbraw/zinc/17/20/63/323172063.db2.gz ORCBQDLTJDGEON-GFCCVEGCSA-N 1 0 237.412 3.824 20 0 BHADRO CSCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000070184513 323172170 /nfs/dbraw/zinc/17/21/70/323172170.db2.gz ORCBQDLTJDGEON-LBPRGKRZSA-N 1 0 237.412 3.824 20 0 BHADRO CSCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000070184631 387121372 /nfs/dbraw/zinc/12/13/72/387121372.db2.gz KWJNJTWPFALSBU-AWEZNQCLSA-N 1 0 237.412 3.726 20 0 BHADRO CSCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000070184632 387120915 /nfs/dbraw/zinc/12/09/15/387120915.db2.gz KWJNJTWPFALSBU-CQSZACIVSA-N 1 0 237.412 3.726 20 0 BHADRO CSCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000070184661 323172155 /nfs/dbraw/zinc/17/21/55/323172155.db2.gz CNLVWHPYXMUZEB-GFCCVEGCSA-N 1 0 241.425 3.542 20 0 BHADRO CSCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000070184662 323172164 /nfs/dbraw/zinc/17/21/64/323172164.db2.gz CNLVWHPYXMUZEB-LBPRGKRZSA-N 1 0 241.425 3.542 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000070184767 387121341 /nfs/dbraw/zinc/12/13/41/387121341.db2.gz INBNIXFUQMEZPM-NSHDSACASA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)CCC(C)C)cs1 ZINC000070184768 387120788 /nfs/dbraw/zinc/12/07/88/387120788.db2.gz INBNIXFUQMEZPM-LLVKDONJSA-N 1 0 240.416 3.620 20 0 BHADRO CCCCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000070185392 642993936 /nfs/dbraw/zinc/99/39/36/642993936.db2.gz MAKWDNQONCKJKM-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CSCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000070185566 345458433 /nfs/dbraw/zinc/45/84/33/345458433.db2.gz AZBXJWZXXFEAHF-UHFFFAOYSA-N 1 0 249.423 3.665 20 0 BHADRO CSCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000070186025 323172446 /nfs/dbraw/zinc/17/24/46/323172446.db2.gz YREHSHYSFHCBHM-LBPRGKRZSA-N 1 0 245.391 3.853 20 0 BHADRO CSCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000070186026 323172476 /nfs/dbraw/zinc/17/24/76/323172476.db2.gz YREHSHYSFHCBHM-GFCCVEGCSA-N 1 0 245.391 3.853 20 0 BHADRO CSCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000070186029 323172485 /nfs/dbraw/zinc/17/24/85/323172485.db2.gz JFXWRJLQIUDDFW-LBPRGKRZSA-N 1 0 245.391 3.853 20 0 BHADRO CSCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000070186030 323172423 /nfs/dbraw/zinc/17/24/23/323172423.db2.gz JFXWRJLQIUDDFW-GFCCVEGCSA-N 1 0 245.391 3.853 20 0 BHADRO CSCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000070186042 323172422 /nfs/dbraw/zinc/17/24/22/323172422.db2.gz HHVMXZPWJOWLNK-LBPRGKRZSA-N 1 0 249.423 3.579 20 0 BHADRO CSCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000070186043 323172509 /nfs/dbraw/zinc/17/25/09/323172509.db2.gz HHVMXZPWJOWLNK-GFCCVEGCSA-N 1 0 249.423 3.579 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000070186172 371014057 /nfs/dbraw/zinc/01/40/57/371014057.db2.gz KMVQUDPDFNEYPE-LLVKDONJSA-N 1 0 241.325 3.879 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000070186173 371013803 /nfs/dbraw/zinc/01/38/03/371013803.db2.gz KMVQUDPDFNEYPE-NSHDSACASA-N 1 0 241.325 3.879 20 0 BHADRO CSCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000070186347 388877757 /nfs/dbraw/zinc/87/77/57/388877757.db2.gz KJZLGHYIZVQVOA-HNNXBMFYSA-N 1 0 249.423 3.789 20 0 BHADRO CSCCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000070186348 324997151 /nfs/dbraw/zinc/99/71/51/324997151.db2.gz KJZLGHYIZVQVOA-OAHLLOKOSA-N 1 0 249.423 3.789 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000070186545 387120286 /nfs/dbraw/zinc/12/02/86/387120286.db2.gz UMWKCJOUBYLSMN-LBPRGKRZSA-N 1 0 249.423 3.579 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000070186546 359044763 /nfs/dbraw/zinc/04/47/63/359044763.db2.gz UMWKCJOUBYLSMN-GFCCVEGCSA-N 1 0 249.423 3.579 20 0 BHADRO CC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000070193340 642989505 /nfs/dbraw/zinc/98/95/05/642989505.db2.gz GEOULWBAMPSXSX-UHFFFAOYSA-N 1 0 225.291 3.696 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(Cl)s1 ZINC000070203262 323173270 /nfs/dbraw/zinc/17/32/70/323173270.db2.gz YXDCJYQAAAHEIY-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)C1(C)CC1 ZINC000070203789 383886299 /nfs/dbraw/zinc/88/62/99/383886299.db2.gz YUMNZVTXUNWXIT-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1(C)CC1 ZINC000070203791 323173218 /nfs/dbraw/zinc/17/32/18/323173218.db2.gz YUMNZVTXUNWXIT-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC000070205441 324998211 /nfs/dbraw/zinc/99/82/11/324998211.db2.gz WIWHZUVOWIPSDM-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCC(F)(F)F ZINC000070205443 388877702 /nfs/dbraw/zinc/87/77/02/388877702.db2.gz WIWHZUVOWIPSDM-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]CC(C)C)cc2c1C ZINC000070215179 359044655 /nfs/dbraw/zinc/04/46/55/359044655.db2.gz OJGLTECGNZEHRK-UHFFFAOYSA-N 1 0 230.355 3.530 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000070305100 325003696 /nfs/dbraw/zinc/00/36/96/325003696.db2.gz IKEGPBXSUHESOL-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000070305101 325003843 /nfs/dbraw/zinc/00/38/43/325003843.db2.gz IKEGPBXSUHESOL-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000070305102 325004052 /nfs/dbraw/zinc/00/40/52/325004052.db2.gz IKEGPBXSUHESOL-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000070305103 325003921 /nfs/dbraw/zinc/00/39/21/325003921.db2.gz IKEGPBXSUHESOL-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1F ZINC000070305368 323185018 /nfs/dbraw/zinc/18/50/18/323185018.db2.gz UUBIKYOIXALKOQ-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1F ZINC000070305369 323185076 /nfs/dbraw/zinc/18/50/76/323185076.db2.gz UUBIKYOIXALKOQ-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305397 323185068 /nfs/dbraw/zinc/18/50/68/323185068.db2.gz XNUWOKIOOWQSRT-AWEZNQCLSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305398 323185083 /nfs/dbraw/zinc/18/50/83/323185083.db2.gz XNUWOKIOOWQSRT-CQSZACIVSA-N 1 0 231.383 3.972 20 0 BHADRO C[C@H]([NH2+]Cc1c(F)cccc1F)C1CCCC1 ZINC000070305419 323185055 /nfs/dbraw/zinc/18/50/55/323185055.db2.gz VCQHMICCBHDAJU-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1c(F)cccc1F)C1CCCC1 ZINC000070305420 323185049 /nfs/dbraw/zinc/18/50/49/323185049.db2.gz VCQHMICCBHDAJU-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000070305659 323185403 /nfs/dbraw/zinc/18/54/03/323185403.db2.gz LVXPOCWRFXCJLK-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000070305660 323185568 /nfs/dbraw/zinc/18/55/68/323185568.db2.gz LVXPOCWRFXCJLK-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H](C)C1CCCC1 ZINC000070305752 325004020 /nfs/dbraw/zinc/00/40/20/325004020.db2.gz IWNPHZKZAPTJIO-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1F)C1CCCC1 ZINC000070305925 371022597 /nfs/dbraw/zinc/02/25/97/371022597.db2.gz CUAFBWMGVASBNV-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1F)C1CCCC1 ZINC000070305926 371022442 /nfs/dbraw/zinc/02/24/42/371022442.db2.gz CUAFBWMGVASBNV-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000070305949 325003976 /nfs/dbraw/zinc/00/39/76/325003976.db2.gz LHPWZXSDGQISKS-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)C1CCCC1 ZINC000070305950 325003720 /nfs/dbraw/zinc/00/37/20/325003720.db2.gz LHPWZXSDGQISKS-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)c(C)c1 ZINC000070306077 325004094 /nfs/dbraw/zinc/00/40/94/325004094.db2.gz YULVTUHLMLQPRZ-AWEZNQCLSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)c(C)c1 ZINC000070306078 325004034 /nfs/dbraw/zinc/00/40/34/325004034.db2.gz YULVTUHLMLQPRZ-CQSZACIVSA-N 1 0 231.383 3.972 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)C1CCCC1 ZINC000070306279 325003750 /nfs/dbraw/zinc/00/37/50/325003750.db2.gz URJMQCPYWWSWDC-XHDPSFHLSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)C1CCCC1 ZINC000070306280 325003819 /nfs/dbraw/zinc/00/38/19/325003819.db2.gz URJMQCPYWWSWDC-IAQYHMDHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)C1CCCC1 ZINC000070306281 325003775 /nfs/dbraw/zinc/00/37/75/325003775.db2.gz URJMQCPYWWSWDC-NHYWBVRUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)C1CCCC1 ZINC000070306282 325004100 /nfs/dbraw/zinc/00/41/00/325004100.db2.gz URJMQCPYWWSWDC-ABAIWWIYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)C1CCCC1 ZINC000070306901 325004111 /nfs/dbraw/zinc/00/41/11/325004111.db2.gz SOVLRYOTHOYTOL-RNVIBTMRSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccccc1)C1CCCC1 ZINC000070306902 325003846 /nfs/dbraw/zinc/00/38/46/325003846.db2.gz SOVLRYOTHOYTOL-DNGMOHDESA-N 1 0 229.367 3.868 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000070325623 643014635 /nfs/dbraw/zinc/01/46/35/643014635.db2.gz ZZHFHYXJQDSZJN-LSDHHAIUSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000070325625 643013457 /nfs/dbraw/zinc/01/34/57/643013457.db2.gz ZZHFHYXJQDSZJN-GJZGRUSLSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000070325627 643014039 /nfs/dbraw/zinc/01/40/39/643014039.db2.gz ZZHFHYXJQDSZJN-HUUCEWRRSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000070325629 643014642 /nfs/dbraw/zinc/01/46/42/643014642.db2.gz ZZHFHYXJQDSZJN-CABCVRRESA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000070326562 490207582 /nfs/dbraw/zinc/20/75/82/490207582.db2.gz HCLZMXVBPBRBIJ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000070326563 490207170 /nfs/dbraw/zinc/20/71/70/490207170.db2.gz HCLZMXVBPBRBIJ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000070326565 490207504 /nfs/dbraw/zinc/20/75/04/490207504.db2.gz HCLZMXVBPBRBIJ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000070326567 490208342 /nfs/dbraw/zinc/20/83/42/490208342.db2.gz HCLZMXVBPBRBIJ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070326930 490208568 /nfs/dbraw/zinc/20/85/68/490208568.db2.gz HVHDCAQQOFEAPK-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000070326945 490208369 /nfs/dbraw/zinc/20/83/69/490208369.db2.gz AAWCKEJOXQNXJM-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000070326947 490208944 /nfs/dbraw/zinc/20/89/44/490208944.db2.gz AAWCKEJOXQNXJM-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000070326948 490208879 /nfs/dbraw/zinc/20/88/79/490208879.db2.gz AAWCKEJOXQNXJM-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000070326950 490208906 /nfs/dbraw/zinc/20/89/06/490208906.db2.gz AAWCKEJOXQNXJM-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070327008 643017273 /nfs/dbraw/zinc/01/72/73/643017273.db2.gz JUHILPYASIPOJR-ZNMIVQPWSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000070327012 643016548 /nfs/dbraw/zinc/01/65/48/643016548.db2.gz JUHILPYASIPOJR-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000070327506 490208494 /nfs/dbraw/zinc/20/84/94/490208494.db2.gz LHGORQJNBCRTEW-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000070327508 490208954 /nfs/dbraw/zinc/20/89/54/490208954.db2.gz LHGORQJNBCRTEW-OWCLPIDISA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000070327510 490208522 /nfs/dbraw/zinc/20/85/22/490208522.db2.gz LHGORQJNBCRTEW-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000070327511 490208671 /nfs/dbraw/zinc/20/86/71/490208671.db2.gz LHGORQJNBCRTEW-HRCADAONSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000070342824 323186550 /nfs/dbraw/zinc/18/65/50/323186550.db2.gz VHKRTDAIZVWLOF-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000070342825 323186562 /nfs/dbraw/zinc/18/65/62/323186562.db2.gz VHKRTDAIZVWLOF-NUEKZKHPSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000070342826 323186543 /nfs/dbraw/zinc/18/65/43/323186543.db2.gz VHKRTDAIZVWLOF-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000070342827 323186592 /nfs/dbraw/zinc/18/65/92/323186592.db2.gz VHKRTDAIZVWLOF-CWRNSKLLSA-N 1 0 247.382 3.541 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343855 643015587 /nfs/dbraw/zinc/01/55/87/643015587.db2.gz PSKGIZGLYJBYGQ-CQSZACIVSA-N 1 0 239.403 3.647 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343856 643016373 /nfs/dbraw/zinc/01/63/73/643016373.db2.gz PSKGIZGLYJBYGQ-AWEZNQCLSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343857 643019686 /nfs/dbraw/zinc/01/96/86/643019686.db2.gz AVPQAHPETYSJRO-HUUCEWRRSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343858 643017978 /nfs/dbraw/zinc/01/79/78/643017978.db2.gz AVPQAHPETYSJRO-CABCVRRESA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343859 643019183 /nfs/dbraw/zinc/01/91/83/643019183.db2.gz AVPQAHPETYSJRO-LSDHHAIUSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CCO1 ZINC000070343860 643018042 /nfs/dbraw/zinc/01/80/42/643018042.db2.gz AVPQAHPETYSJRO-GJZGRUSLSA-N 1 0 239.403 3.647 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CCO1 ZINC000070345714 325005186 /nfs/dbraw/zinc/00/51/86/325005186.db2.gz MUUHKRYNLCJZAS-CABCVRRESA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]C2CCCCCC2)CCO1 ZINC000070345715 325005080 /nfs/dbraw/zinc/00/50/80/325005080.db2.gz MUUHKRYNLCJZAS-HUUCEWRRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CCO1 ZINC000070345716 325005264 /nfs/dbraw/zinc/00/52/64/325005264.db2.gz MUUHKRYNLCJZAS-GJZGRUSLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCCCCC2)CCO1 ZINC000070345717 325005393 /nfs/dbraw/zinc/00/53/93/325005393.db2.gz MUUHKRYNLCJZAS-LSDHHAIUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070345769 323188104 /nfs/dbraw/zinc/18/81/04/323188104.db2.gz TUCMROPPXAEIAB-ZNMIVQPWSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070345771 323188105 /nfs/dbraw/zinc/18/81/05/323188105.db2.gz TUCMROPPXAEIAB-KKUMJFAQSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000070345895 411391776 /nfs/dbraw/zinc/39/17/76/411391776.db2.gz KMTNPKDHAVHYQN-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000070345897 411391931 /nfs/dbraw/zinc/39/19/31/411391931.db2.gz KMTNPKDHAVHYQN-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070346030 179321979 /nfs/dbraw/zinc/32/19/79/179321979.db2.gz QHRMZRUYRXYJBB-ZIAGYGMSSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070346031 179339386 /nfs/dbraw/zinc/33/93/86/179339386.db2.gz QHRMZRUYRXYJBB-UONOGXRCSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070346032 179322888 /nfs/dbraw/zinc/32/28/88/179322888.db2.gz QHRMZRUYRXYJBB-KGLIPLIRSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070346033 179339809 /nfs/dbraw/zinc/33/98/09/179339809.db2.gz QHRMZRUYRXYJBB-KBPBESRZSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)CCO1 ZINC000070346034 323188328 /nfs/dbraw/zinc/18/83/28/323188328.db2.gz OJAINMPACKHMPF-RRFJBIMHSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)CCO1 ZINC000070346036 323188375 /nfs/dbraw/zinc/18/83/75/323188375.db2.gz OJAINMPACKHMPF-SOUVJXGZSA-N 1 0 247.382 3.603 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070346654 325005064 /nfs/dbraw/zinc/00/50/64/325005064.db2.gz IXAMIBWNITXGCV-ZIAGYGMSSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070346655 325005367 /nfs/dbraw/zinc/00/53/67/325005367.db2.gz IXAMIBWNITXGCV-UONOGXRCSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070346656 325003942 /nfs/dbraw/zinc/00/39/42/325003942.db2.gz IXAMIBWNITXGCV-KGLIPLIRSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070346657 325003726 /nfs/dbraw/zinc/00/37/26/325003726.db2.gz IXAMIBWNITXGCV-KBPBESRZSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC(C)C)CCO1 ZINC000070346658 325003952 /nfs/dbraw/zinc/00/39/52/325003952.db2.gz MIVYCDGAGBGJCF-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC(C)C)CCO1 ZINC000070346660 325003839 /nfs/dbraw/zinc/00/38/39/325003839.db2.gz MIVYCDGAGBGJCF-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000070347340 643019898 /nfs/dbraw/zinc/01/98/98/643019898.db2.gz UDMDELNWAGQICF-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000070347341 643018605 /nfs/dbraw/zinc/01/86/05/643018605.db2.gz UDMDELNWAGQICF-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000070347342 643018028 /nfs/dbraw/zinc/01/80/28/643018028.db2.gz UDMDELNWAGQICF-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000070347343 643019251 /nfs/dbraw/zinc/01/92/51/643019251.db2.gz UDMDELNWAGQICF-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070348437 643019941 /nfs/dbraw/zinc/01/99/41/643019941.db2.gz WGYCZFMYIGCGCN-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070348439 643019108 /nfs/dbraw/zinc/01/91/08/643019108.db2.gz WGYCZFMYIGCGCN-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070350400 167435338 /nfs/dbraw/zinc/43/53/38/167435338.db2.gz XSBIPQKHFCQRGE-FVQBIDKESA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000070350401 325006152 /nfs/dbraw/zinc/00/61/52/325006152.db2.gz XSBIPQKHFCQRGE-NUEKZKHPSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070350402 384101404 /nfs/dbraw/zinc/10/14/04/384101404.db2.gz XSBIPQKHFCQRGE-VNQPRFMTSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000070350403 325005966 /nfs/dbraw/zinc/00/59/66/325005966.db2.gz XSBIPQKHFCQRGE-CWRNSKLLSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070352012 325005978 /nfs/dbraw/zinc/00/59/78/325005978.db2.gz SOOXVHWWVNDZAW-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070352014 325005858 /nfs/dbraw/zinc/00/58/58/325005858.db2.gz SOOXVHWWVNDZAW-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC)CCO1 ZINC000070352016 325006288 /nfs/dbraw/zinc/00/62/88/325006288.db2.gz FQGVTUMBHTUATC-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CC)CCO1 ZINC000070352017 325006219 /nfs/dbraw/zinc/00/62/19/325006219.db2.gz FQGVTUMBHTUATC-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CC)CCO1 ZINC000070352018 325006270 /nfs/dbraw/zinc/00/62/70/325006270.db2.gz FQGVTUMBHTUATC-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CC)CCO1 ZINC000070352019 325005901 /nfs/dbraw/zinc/00/59/01/325005901.db2.gz FQGVTUMBHTUATC-GBJTYRQASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000070352340 384101823 /nfs/dbraw/zinc/10/18/23/384101823.db2.gz LGIHMMQZIXCRBS-BMFZPTHFSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000070352341 490209456 /nfs/dbraw/zinc/20/94/56/490209456.db2.gz LGIHMMQZIXCRBS-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000070352342 384101992 /nfs/dbraw/zinc/10/19/92/384101992.db2.gz LGIHMMQZIXCRBS-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070352968 169513017 /nfs/dbraw/zinc/51/30/17/169513017.db2.gz QAIIFGUHSYXNTJ-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070352970 384101303 /nfs/dbraw/zinc/10/13/03/384101303.db2.gz QAIIFGUHSYXNTJ-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070356104 643016352 /nfs/dbraw/zinc/01/63/52/643016352.db2.gz ANIWOZOQWNOFBZ-ZIAGYGMSSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070356105 643017153 /nfs/dbraw/zinc/01/71/53/643017153.db2.gz ANIWOZOQWNOFBZ-UONOGXRCSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070356106 643016464 /nfs/dbraw/zinc/01/64/64/643016464.db2.gz ANIWOZOQWNOFBZ-KGLIPLIRSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070356107 643015634 /nfs/dbraw/zinc/01/56/34/643015634.db2.gz ANIWOZOQWNOFBZ-KBPBESRZSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000070356109 643015985 /nfs/dbraw/zinc/01/59/85/643015985.db2.gz XVGDKUQLWGQDJN-RRFJBIMHSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000070356111 643017350 /nfs/dbraw/zinc/01/73/50/643017350.db2.gz XVGDKUQLWGQDJN-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357180 323189124 /nfs/dbraw/zinc/18/91/24/323189124.db2.gz ATUFQIOHDPJSRZ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357181 323189150 /nfs/dbraw/zinc/18/91/50/323189150.db2.gz ATUFQIOHDPJSRZ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357182 323189122 /nfs/dbraw/zinc/18/91/22/323189122.db2.gz WJEJMUYAHSCRGY-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357183 323189204 /nfs/dbraw/zinc/18/92/04/323189204.db2.gz WJEJMUYAHSCRGY-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357184 323189206 /nfs/dbraw/zinc/18/92/06/323189206.db2.gz WJEJMUYAHSCRGY-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCO1 ZINC000070357185 323189141 /nfs/dbraw/zinc/18/91/41/323189141.db2.gz WJEJMUYAHSCRGY-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000070357542 178848325 /nfs/dbraw/zinc/84/83/25/178848325.db2.gz PYZJKGKJLWJWJE-UKRRQHHQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000070357543 384101947 /nfs/dbraw/zinc/10/19/47/384101947.db2.gz PYZJKGKJLWJWJE-DZGCQCFKSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000070357544 384100740 /nfs/dbraw/zinc/10/07/40/384100740.db2.gz PYZJKGKJLWJWJE-HIFRSBDPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000070357545 384102188 /nfs/dbraw/zinc/10/21/88/384102188.db2.gz PYZJKGKJLWJWJE-ZFWWWQNUSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)CCO1 ZINC000070357546 325006056 /nfs/dbraw/zinc/00/60/56/325006056.db2.gz BGGLNMWYDSRWAM-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)CCO1 ZINC000070357548 325005875 /nfs/dbraw/zinc/00/58/75/325005875.db2.gz BGGLNMWYDSRWAM-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070357623 178896110 /nfs/dbraw/zinc/89/61/10/178896110.db2.gz ATERIKAZDOYCPI-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070357625 384100867 /nfs/dbraw/zinc/10/08/67/384100867.db2.gz ATERIKAZDOYCPI-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070359864 323189746 /nfs/dbraw/zinc/18/97/46/323189746.db2.gz KQUWFSXBNYMVCV-JXQTWKCFSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070359865 323189657 /nfs/dbraw/zinc/18/96/57/323189657.db2.gz KQUWFSXBNYMVCV-RUXDESIVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000070359866 323189695 /nfs/dbraw/zinc/18/96/95/323189695.db2.gz XFGNDIVCPXNGPW-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000070359867 323189773 /nfs/dbraw/zinc/18/97/73/323189773.db2.gz XFGNDIVCPXNGPW-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000070359868 323189910 /nfs/dbraw/zinc/18/99/10/323189910.db2.gz XFGNDIVCPXNGPW-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000070359869 323189840 /nfs/dbraw/zinc/18/98/40/323189840.db2.gz XFGNDIVCPXNGPW-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000070360106 323190491 /nfs/dbraw/zinc/19/04/91/323190491.db2.gz WGJBSWYYFHIANZ-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000070360107 323190580 /nfs/dbraw/zinc/19/05/80/323190580.db2.gz WGJBSWYYFHIANZ-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000070360108 323190502 /nfs/dbraw/zinc/19/05/02/323190502.db2.gz WGJBSWYYFHIANZ-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000070360109 323190574 /nfs/dbraw/zinc/19/05/74/323190574.db2.gz WGJBSWYYFHIANZ-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070361042 384101868 /nfs/dbraw/zinc/10/18/68/384101868.db2.gz VBDLOQCZJIZKEV-CABCVRRESA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070361043 343951143 /nfs/dbraw/zinc/95/11/43/343951143.db2.gz VBDLOQCZJIZKEV-HUUCEWRRSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070361044 384101361 /nfs/dbraw/zinc/10/13/61/384101361.db2.gz VBDLOQCZJIZKEV-GJZGRUSLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070361045 343950794 /nfs/dbraw/zinc/95/07/94/343950794.db2.gz VBDLOQCZJIZKEV-LSDHHAIUSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000070361046 359051466 /nfs/dbraw/zinc/05/14/66/359051466.db2.gz ZMBRQISDZBVQHD-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000070361047 490210946 /nfs/dbraw/zinc/21/09/46/490210946.db2.gz ZMBRQISDZBVQHD-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000070361048 359051406 /nfs/dbraw/zinc/05/14/06/359051406.db2.gz ZMBRQISDZBVQHD-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000070361049 490210882 /nfs/dbraw/zinc/21/08/82/490210882.db2.gz ZMBRQISDZBVQHD-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070361248 325005884 /nfs/dbraw/zinc/00/58/84/325005884.db2.gz LRMXMZYWYQGGRT-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070361249 325006205 /nfs/dbraw/zinc/00/62/05/325006205.db2.gz LRMXMZYWYQGGRT-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070361250 325006040 /nfs/dbraw/zinc/00/60/40/325006040.db2.gz LRMXMZYWYQGGRT-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070361251 325006157 /nfs/dbraw/zinc/00/61/57/325006157.db2.gz LRMXMZYWYQGGRT-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCCCC2)CCO1 ZINC000070361252 325006265 /nfs/dbraw/zinc/00/62/65/325006265.db2.gz KFJGYCCQTDRPDF-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCCCC2)CCO1 ZINC000070361254 325006283 /nfs/dbraw/zinc/00/62/83/325006283.db2.gz KFJGYCCQTDRPDF-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000070361276 490211293 /nfs/dbraw/zinc/21/12/93/490211293.db2.gz XQZYTQAPUUTREA-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000070361278 490211078 /nfs/dbraw/zinc/21/10/78/490211078.db2.gz XQZYTQAPUUTREA-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000070392040 325007780 /nfs/dbraw/zinc/00/77/80/325007780.db2.gz BFXFPERVOOPFSC-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO c1csc(C[NH2+]Cc2coc3ccccc23)c1 ZINC000070392055 359052142 /nfs/dbraw/zinc/05/21/42/359052142.db2.gz XPNMFSIBKMFYSB-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO c1oc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000070392061 359052386 /nfs/dbraw/zinc/05/23/86/359052386.db2.gz RYZNXSXPBMYMDB-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000070464253 325011482 /nfs/dbraw/zinc/01/14/82/325011482.db2.gz DNGIWWNQUZFTCG-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000070464254 325011386 /nfs/dbraw/zinc/01/13/86/325011386.db2.gz DNGIWWNQUZFTCG-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000070464255 325011862 /nfs/dbraw/zinc/01/18/62/325011862.db2.gz DNGIWWNQUZFTCG-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000070464256 325011307 /nfs/dbraw/zinc/01/13/07/325011307.db2.gz DNGIWWNQUZFTCG-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000070477771 384112052 /nfs/dbraw/zinc/11/20/52/384112052.db2.gz QFRKLVMSYONBBO-AWEZNQCLSA-N 1 0 249.402 3.734 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000070477772 384110787 /nfs/dbraw/zinc/11/07/87/384110787.db2.gz QFRKLVMSYONBBO-CQSZACIVSA-N 1 0 249.402 3.734 20 0 BHADRO Cc1c[nH+]ccc1NCCSc1ccccc1 ZINC000070489548 359057232 /nfs/dbraw/zinc/05/72/32/359057232.db2.gz YFJWNVPLPQRBLO-UHFFFAOYSA-N 1 0 244.363 3.594 20 0 BHADRO Cc1c[nH+]ccc1NCCc1ccc(Cl)cc1 ZINC000070489596 359057239 /nfs/dbraw/zinc/05/72/39/359057239.db2.gz CVUNRGDMULWEJM-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1c[nH+]ccc1N[C@@H](C)CCc1ccccc1 ZINC000070489636 325013099 /nfs/dbraw/zinc/01/30/99/325013099.db2.gz BUAXZVHZOUPRKD-AWEZNQCLSA-N 1 0 240.350 3.823 20 0 BHADRO Cc1c[nH+]ccc1N[C@H](C)CCc1ccccc1 ZINC000070489637 325012845 /nfs/dbraw/zinc/01/28/45/325012845.db2.gz BUAXZVHZOUPRKD-CQSZACIVSA-N 1 0 240.350 3.823 20 0 BHADRO Cc1cc([C@@H](C)Nc2cc[nH+]cc2C)c(C)o1 ZINC000070489643 359057457 /nfs/dbraw/zinc/05/74/57/359057457.db2.gz DMLQUNLGUGCRDM-LLVKDONJSA-N 1 0 230.311 3.773 20 0 BHADRO Cc1cc([C@H](C)Nc2cc[nH+]cc2C)c(C)o1 ZINC000070489644 134919943 /nfs/dbraw/zinc/91/99/43/134919943.db2.gz DMLQUNLGUGCRDM-NSHDSACASA-N 1 0 230.311 3.773 20 0 BHADRO Cc1c[nH+]ccc1N[C@@H]1CCCc2sccc21 ZINC000070489673 359057454 /nfs/dbraw/zinc/05/74/54/359057454.db2.gz SUOZRFBWGNNUEC-CYBMUJFWSA-N 1 0 244.363 3.941 20 0 BHADRO Cc1c[nH+]ccc1N[C@H]1CCCc2sccc21 ZINC000070489674 359057144 /nfs/dbraw/zinc/05/71/44/359057144.db2.gz SUOZRFBWGNNUEC-ZDUSSCGKSA-N 1 0 244.363 3.941 20 0 BHADRO Cc1c[nH+]ccc1NCC[C@@H](C)c1ccccc1 ZINC000070489678 325013086 /nfs/dbraw/zinc/01/30/86/325013086.db2.gz GYXZESGHKQLIGJ-CYBMUJFWSA-N 1 0 240.350 3.996 20 0 BHADRO Cc1c[nH+]ccc1NCC[C@H](C)c1ccccc1 ZINC000070489679 325012876 /nfs/dbraw/zinc/01/28/76/325012876.db2.gz GYXZESGHKQLIGJ-ZDUSSCGKSA-N 1 0 240.350 3.996 20 0 BHADRO CC(C)C[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000070493975 325010554 /nfs/dbraw/zinc/01/05/54/325010554.db2.gz QWPSJFNCNAVVAP-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]C2CCCC2)C1 ZINC000070531997 643033927 /nfs/dbraw/zinc/03/39/27/643033927.db2.gz JOUPBVJKNFMEMX-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]C2CCCC2)C1 ZINC000070531998 643035247 /nfs/dbraw/zinc/03/52/47/643035247.db2.gz JOUPBVJKNFMEMX-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCCC2)C1 ZINC000070531999 643034003 /nfs/dbraw/zinc/03/40/03/643034003.db2.gz JOUPBVJKNFMEMX-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]C2CCCC2)C1 ZINC000070532000 643033914 /nfs/dbraw/zinc/03/39/14/643033914.db2.gz JOUPBVJKNFMEMX-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]C2CCSCC2)C1 ZINC000070532017 325014992 /nfs/dbraw/zinc/01/49/92/325014992.db2.gz MOLBSKDJJILXAQ-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]C2CCSCC2)C1 ZINC000070532018 325014846 /nfs/dbraw/zinc/01/48/46/325014846.db2.gz MOLBSKDJJILXAQ-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCSCC2)C1 ZINC000070532019 325015061 /nfs/dbraw/zinc/01/50/61/325015061.db2.gz MOLBSKDJJILXAQ-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]C2CCSCC2)C1 ZINC000070532020 325014906 /nfs/dbraw/zinc/01/49/06/325014906.db2.gz MOLBSKDJJILXAQ-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccco2)C1 ZINC000070532089 325015102 /nfs/dbraw/zinc/01/51/02/325015102.db2.gz FXNMBHQREJOINC-CHWSQXEVSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccco2)C1 ZINC000070532090 325015000 /nfs/dbraw/zinc/01/50/00/325015000.db2.gz FXNMBHQREJOINC-QWHCGFSZSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccco2)C1 ZINC000070532091 323196555 /nfs/dbraw/zinc/19/65/55/323196555.db2.gz FXNMBHQREJOINC-OLZOCXBDSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccco2)C1 ZINC000070532092 323196566 /nfs/dbraw/zinc/19/65/66/323196566.db2.gz FXNMBHQREJOINC-STQMWFEESA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccoc2)C1 ZINC000070532145 643033480 /nfs/dbraw/zinc/03/34/80/643033480.db2.gz ZBDRMLKLPVQTNH-CHWSQXEVSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccoc2)C1 ZINC000070532146 643034015 /nfs/dbraw/zinc/03/40/15/643034015.db2.gz ZBDRMLKLPVQTNH-QWHCGFSZSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccoc2)C1 ZINC000070532147 643035226 /nfs/dbraw/zinc/03/52/26/643035226.db2.gz ZBDRMLKLPVQTNH-OLZOCXBDSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccoc2)C1 ZINC000070532148 643033970 /nfs/dbraw/zinc/03/39/70/643033970.db2.gz ZBDRMLKLPVQTNH-STQMWFEESA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000070532157 323196488 /nfs/dbraw/zinc/19/64/88/323196488.db2.gz WNFUQHGNNFQHAE-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000070532159 323196529 /nfs/dbraw/zinc/19/65/29/323196529.db2.gz WNFUQHGNNFQHAE-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cccc2cccnc21 ZINC000070534042 384116736 /nfs/dbraw/zinc/11/67/36/384116736.db2.gz KBHZACPXEKMAFC-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cccc2cccnc21 ZINC000070534043 384116520 /nfs/dbraw/zinc/11/65/20/384116520.db2.gz KBHZACPXEKMAFC-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc2ncccc2c1 ZINC000070534044 134920101 /nfs/dbraw/zinc/92/01/01/134920101.db2.gz SUUBGGYZPFAQGB-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc2ncccc2c1 ZINC000070534045 359058307 /nfs/dbraw/zinc/05/83/07/359058307.db2.gz SUUBGGYZPFAQGB-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)o1 ZINC000070537606 323197234 /nfs/dbraw/zinc/19/72/34/323197234.db2.gz CZYYZHNVQHUOTG-JSGCOSHPSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCC[C@H](C)C2)o1 ZINC000070537607 323197247 /nfs/dbraw/zinc/19/72/47/323197247.db2.gz CZYYZHNVQHUOTG-GXTWGEPZSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000070537608 323197267 /nfs/dbraw/zinc/19/72/67/323197267.db2.gz CZYYZHNVQHUOTG-OCCSQVGLSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)o1 ZINC000070537609 323197214 /nfs/dbraw/zinc/19/72/14/323197214.db2.gz CZYYZHNVQHUOTG-TZMCWYRMSA-N 1 0 235.371 3.894 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000070537618 323197219 /nfs/dbraw/zinc/19/72/19/323197219.db2.gz UDXFKBWQOKRQMQ-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000070537620 323197277 /nfs/dbraw/zinc/19/72/77/323197277.db2.gz UDXFKBWQOKRQMQ-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000070537818 323197260 /nfs/dbraw/zinc/19/72/60/323197260.db2.gz MXASHATYCZWRCM-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000070537820 323197228 /nfs/dbraw/zinc/19/72/28/323197228.db2.gz MXASHATYCZWRCM-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000070538113 323197159 /nfs/dbraw/zinc/19/71/59/323197159.db2.gz FBICWNWMRSQOIK-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@H](C)C1)c1cccnc1 ZINC000070538114 350017810 /nfs/dbraw/zinc/01/78/10/350017810.db2.gz FBICWNWMRSQOIK-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000070538115 323197095 /nfs/dbraw/zinc/19/70/95/323197095.db2.gz FBICWNWMRSQOIK-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@H](C)C1)c1cccnc1 ZINC000070538116 350017614 /nfs/dbraw/zinc/01/76/14/350017614.db2.gz FBICWNWMRSQOIK-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000070538129 323197142 /nfs/dbraw/zinc/19/71/42/323197142.db2.gz FESPJASPJOGSHZ-ZIAGYGMSSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000070538130 323197122 /nfs/dbraw/zinc/19/71/22/323197122.db2.gz FESPJASPJOGSHZ-UONOGXRCSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000070538131 323197105 /nfs/dbraw/zinc/19/71/05/323197105.db2.gz FESPJASPJOGSHZ-KGLIPLIRSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2cccc(O)c2)C1 ZINC000070538132 323197136 /nfs/dbraw/zinc/19/71/36/323197136.db2.gz FESPJASPJOGSHZ-KBPBESRZSA-N 1 0 247.382 3.698 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000070558185 323200572 /nfs/dbraw/zinc/20/05/72/323200572.db2.gz BXCHTJHRBGXDDE-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000070558186 323200526 /nfs/dbraw/zinc/20/05/26/323200526.db2.gz BXCHTJHRBGXDDE-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000070558187 323200556 /nfs/dbraw/zinc/20/05/56/323200556.db2.gz BXCHTJHRBGXDDE-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000070558188 323200565 /nfs/dbraw/zinc/20/05/65/323200565.db2.gz BXCHTJHRBGXDDE-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000070558424 350536090 /nfs/dbraw/zinc/53/60/90/350536090.db2.gz KYHDLSSMOSFCFN-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000070558425 350536288 /nfs/dbraw/zinc/53/62/88/350536288.db2.gz KYHDLSSMOSFCFN-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000070558426 350536052 /nfs/dbraw/zinc/53/60/52/350536052.db2.gz KYHDLSSMOSFCFN-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000070558427 350534681 /nfs/dbraw/zinc/53/46/81/350534681.db2.gz KYHDLSSMOSFCFN-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000070558448 323200640 /nfs/dbraw/zinc/20/06/40/323200640.db2.gz DMOGXNNXGABGKQ-KGLIPLIRSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000070558449 323200636 /nfs/dbraw/zinc/20/06/36/323200636.db2.gz DMOGXNNXGABGKQ-KBPBESRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000070558450 323200715 /nfs/dbraw/zinc/20/07/15/323200715.db2.gz DMOGXNNXGABGKQ-ZIAGYGMSSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000070558451 323200726 /nfs/dbraw/zinc/20/07/26/323200726.db2.gz DMOGXNNXGABGKQ-UONOGXRCSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC1CC1 ZINC000070559223 323200190 /nfs/dbraw/zinc/20/01/90/323200190.db2.gz DUIKETHWXHPHKI-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC1CC1 ZINC000070559225 323200211 /nfs/dbraw/zinc/20/02/11/323200211.db2.gz DUIKETHWXHPHKI-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000070562109 323200486 /nfs/dbraw/zinc/20/04/86/323200486.db2.gz ZWZMGZJPCYMWPZ-OCCSQVGLSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000070562110 323200497 /nfs/dbraw/zinc/20/04/97/323200497.db2.gz ZWZMGZJPCYMWPZ-JSGCOSHPSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000070562111 323200493 /nfs/dbraw/zinc/20/04/93/323200493.db2.gz ZWZMGZJPCYMWPZ-TZMCWYRMSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000070562112 323200532 /nfs/dbraw/zinc/20/05/32/323200532.db2.gz ZWZMGZJPCYMWPZ-GXTWGEPZSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000070562157 323200533 /nfs/dbraw/zinc/20/05/33/323200533.db2.gz VFNVMQCJIRTVDK-HIFRSBDPSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000070562158 323200540 /nfs/dbraw/zinc/20/05/40/323200540.db2.gz VFNVMQCJIRTVDK-ZFWWWQNUSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000070562159 323200602 /nfs/dbraw/zinc/20/06/02/323200602.db2.gz VFNVMQCJIRTVDK-UKRRQHHQSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000070562160 323200558 /nfs/dbraw/zinc/20/05/58/323200558.db2.gz VFNVMQCJIRTVDK-DZGCQCFKSA-N 1 0 217.356 3.745 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000070562233 323200594 /nfs/dbraw/zinc/20/05/94/323200594.db2.gz GPEWTYBTUKBWEI-OLZOCXBDSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000070562234 323200496 /nfs/dbraw/zinc/20/04/96/323200496.db2.gz GPEWTYBTUKBWEI-STQMWFEESA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000070562235 323200769 /nfs/dbraw/zinc/20/07/69/323200769.db2.gz GPEWTYBTUKBWEI-CHWSQXEVSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000070562236 323199921 /nfs/dbraw/zinc/19/99/21/323199921.db2.gz GPEWTYBTUKBWEI-QWHCGFSZSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070562277 323199987 /nfs/dbraw/zinc/19/99/87/323199987.db2.gz ROIPVRXUAPXZBJ-RISCZKNCSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070562278 323200210 /nfs/dbraw/zinc/20/02/10/323200210.db2.gz ROIPVRXUAPXZBJ-FZMZJTMJSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070562279 323200112 /nfs/dbraw/zinc/20/01/12/323200112.db2.gz ROIPVRXUAPXZBJ-BXUZGUMPSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070562280 323200121 /nfs/dbraw/zinc/20/01/21/323200121.db2.gz ROIPVRXUAPXZBJ-SMDDNHRTSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000070562281 323200213 /nfs/dbraw/zinc/20/02/13/323200213.db2.gz DUSYYLHPWBIAPD-NEPJUHHUSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000070562282 323200097 /nfs/dbraw/zinc/20/00/97/323200097.db2.gz DUSYYLHPWBIAPD-RYUDHWBXSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000070562283 323200119 /nfs/dbraw/zinc/20/01/19/323200119.db2.gz DUSYYLHPWBIAPD-VXGBXAGGSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000070562284 323200198 /nfs/dbraw/zinc/20/01/98/323200198.db2.gz DUSYYLHPWBIAPD-NWDGAFQWSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000070562381 323200138 /nfs/dbraw/zinc/20/01/38/323200138.db2.gz OSFSBEJBBCIILI-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000070562382 323200158 /nfs/dbraw/zinc/20/01/58/323200158.db2.gz OSFSBEJBBCIILI-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000070562383 323200120 /nfs/dbraw/zinc/20/01/20/323200120.db2.gz OSFSBEJBBCIILI-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000070562384 323200204 /nfs/dbraw/zinc/20/02/04/323200204.db2.gz OSFSBEJBBCIILI-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000070562401 323200201 /nfs/dbraw/zinc/20/02/01/323200201.db2.gz GWZMSJPNTKNOAY-XQQFMLRXSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000070562403 323200219 /nfs/dbraw/zinc/20/02/19/323200219.db2.gz GWZMSJPNTKNOAY-YNEHKIRRSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070562761 350541146 /nfs/dbraw/zinc/54/11/46/350541146.db2.gz JGPQCIWGCLQFLW-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070562762 386571283 /nfs/dbraw/zinc/57/12/83/386571283.db2.gz JGPQCIWGCLQFLW-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070562763 350541064 /nfs/dbraw/zinc/54/10/64/350541064.db2.gz JGPQCIWGCLQFLW-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070562764 386572471 /nfs/dbraw/zinc/57/24/71/386572471.db2.gz JGPQCIWGCLQFLW-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000070562789 170996364 /nfs/dbraw/zinc/99/63/64/170996364.db2.gz VBNWSOBICJMABL-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000070562790 386571727 /nfs/dbraw/zinc/57/17/27/386571727.db2.gz VBNWSOBICJMABL-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000070562791 170986909 /nfs/dbraw/zinc/98/69/09/170986909.db2.gz VBNWSOBICJMABL-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000070562792 350540873 /nfs/dbraw/zinc/54/08/73/350540873.db2.gz VBNWSOBICJMABL-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000070562793 350540938 /nfs/dbraw/zinc/54/09/38/350540938.db2.gz ZOYNYMWRJUJLIE-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000070562794 386570447 /nfs/dbraw/zinc/57/04/47/386570447.db2.gz ZOYNYMWRJUJLIE-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000070562795 350541113 /nfs/dbraw/zinc/54/11/13/350541113.db2.gz ZOYNYMWRJUJLIE-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000070562796 386571899 /nfs/dbraw/zinc/57/18/99/386571899.db2.gz ZOYNYMWRJUJLIE-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000070562821 323200386 /nfs/dbraw/zinc/20/03/86/323200386.db2.gz TXTGLMLDTBEJFZ-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000070562822 323200385 /nfs/dbraw/zinc/20/03/85/323200385.db2.gz TXTGLMLDTBEJFZ-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000070562823 323200292 /nfs/dbraw/zinc/20/02/92/323200292.db2.gz TXTGLMLDTBEJFZ-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000070562824 323200353 /nfs/dbraw/zinc/20/03/53/323200353.db2.gz TXTGLMLDTBEJFZ-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000070562885 322951586 /nfs/dbraw/zinc/95/15/86/322951586.db2.gz OFOQEDQMTCYVKK-ILXRZTDVSA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000070562887 323200285 /nfs/dbraw/zinc/20/02/85/323200285.db2.gz OFOQEDQMTCYVKK-QLFBSQMISA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000070562965 323200586 /nfs/dbraw/zinc/20/05/86/323200586.db2.gz TZGJPSUMDHKRJO-YPMHNXCESA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000070562966 323200510 /nfs/dbraw/zinc/20/05/10/323200510.db2.gz TZGJPSUMDHKRJO-AAEUAGOBSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000070562967 323200564 /nfs/dbraw/zinc/20/05/64/323200564.db2.gz TZGJPSUMDHKRJO-DGCLKSJQSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000070562968 323200548 /nfs/dbraw/zinc/20/05/48/323200548.db2.gz TZGJPSUMDHKRJO-WCQYABFASA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000070562973 350538868 /nfs/dbraw/zinc/53/88/68/350538868.db2.gz AKUTXXNNKOOGAH-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000070562974 536078051 /nfs/dbraw/zinc/07/80/51/536078051.db2.gz AKUTXXNNKOOGAH-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000070562975 134991354 /nfs/dbraw/zinc/99/13/54/134991354.db2.gz AKUTXXNNKOOGAH-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000070562976 350539431 /nfs/dbraw/zinc/53/94/31/350539431.db2.gz AKUTXXNNKOOGAH-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000070563033 323200527 /nfs/dbraw/zinc/20/05/27/323200527.db2.gz JUTKRNXWAXGZEV-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000070563035 323200552 /nfs/dbraw/zinc/20/05/52/323200552.db2.gz JUTKRNXWAXGZEV-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000070565026 322860072 /nfs/dbraw/zinc/86/00/72/322860072.db2.gz NTYIOQFVGVHCNG-NFAWXSAZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000070565027 323200878 /nfs/dbraw/zinc/20/08/78/323200878.db2.gz NTYIOQFVGVHCNG-GUTXKFCHSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000070565028 322860173 /nfs/dbraw/zinc/86/01/73/322860173.db2.gz NTYIOQFVGVHCNG-UMVBOHGHSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000070565029 323200912 /nfs/dbraw/zinc/20/09/12/323200912.db2.gz NTYIOQFVGVHCNG-GZBFAFLISA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C ZINC000070568286 323201520 /nfs/dbraw/zinc/20/15/20/323201520.db2.gz MOGUMFPMAQXUGP-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C ZINC000070568287 323201531 /nfs/dbraw/zinc/20/15/31/323201531.db2.gz MOGUMFPMAQXUGP-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC000070568288 323201619 /nfs/dbraw/zinc/20/16/19/323201619.db2.gz MOGUMFPMAQXUGP-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC000070568289 323201669 /nfs/dbraw/zinc/20/16/69/323201669.db2.gz MOGUMFPMAQXUGP-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000070599428 323203262 /nfs/dbraw/zinc/20/32/62/323203262.db2.gz GYNFFQMVRQWYFX-ZETCQYMHSA-N 1 0 248.189 3.571 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000070599429 323203200 /nfs/dbraw/zinc/20/32/00/323203200.db2.gz GYNFFQMVRQWYFX-SSDOTTSWSA-N 1 0 248.189 3.571 20 0 BHADRO Cc1c[nH+]ccc1NCc1ccc(Cl)s1 ZINC000070600654 383936848 /nfs/dbraw/zinc/93/68/48/383936848.db2.gz WAYODVMNBSBKCC-UHFFFAOYSA-N 1 0 238.743 3.717 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000070621086 170141528 /nfs/dbraw/zinc/14/15/28/170141528.db2.gz RQFBRDABQRGIPS-QMMMGPOBSA-N 1 0 231.311 3.672 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000070621087 170158821 /nfs/dbraw/zinc/15/88/21/170158821.db2.gz RQFBRDABQRGIPS-MRVPVSSYSA-N 1 0 231.311 3.672 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000070621108 359060753 /nfs/dbraw/zinc/06/07/53/359060753.db2.gz SYLNCIDEUPAVPW-VIFPVBQESA-N 1 0 245.338 3.714 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000070621109 359060629 /nfs/dbraw/zinc/06/06/29/359060629.db2.gz SYLNCIDEUPAVPW-SECBINFHSA-N 1 0 245.338 3.714 20 0 BHADRO CC[C@H]([NH2+]C1CCCCC1)c1nccs1 ZINC000070633905 135001674 /nfs/dbraw/zinc/00/16/74/135001674.db2.gz XHHOBCHJSLFVOG-NSHDSACASA-N 1 0 224.373 3.517 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCC1)c1nccs1 ZINC000070633906 535802729 /nfs/dbraw/zinc/80/27/29/535802729.db2.gz XHHOBCHJSLFVOG-LLVKDONJSA-N 1 0 224.373 3.517 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1nccs1 ZINC000070634069 384128193 /nfs/dbraw/zinc/12/81/93/384128193.db2.gz FKNAZXLIMPZSLF-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1nccs1 ZINC000070634070 384128052 /nfs/dbraw/zinc/12/80/52/384128052.db2.gz FKNAZXLIMPZSLF-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO CC1(C)CCC([NH2+]C2CCCCC2)CC1 ZINC000070653800 384129585 /nfs/dbraw/zinc/12/95/85/384129585.db2.gz HQXQMGOSPPGTGC-UHFFFAOYSA-N 1 0 209.377 3.878 20 0 BHADRO CC1(C)CCC([NH2+]Cc2ccccc2)CC1 ZINC000070653809 384762627 /nfs/dbraw/zinc/76/26/27/384762627.db2.gz PGZUJUTYIZKSJC-UHFFFAOYSA-N 1 0 217.356 3.745 20 0 BHADRO CC1(C)CCC([NH2+]CCc2cccs2)CC1 ZINC000070653833 325021303 /nfs/dbraw/zinc/02/13/03/325021303.db2.gz ZWGLLTSQMIZCIX-UHFFFAOYSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000070653857 325021180 /nfs/dbraw/zinc/02/11/80/325021180.db2.gz GBWBDPZMLUQQQF-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+]Cc2cccs2)CC1 ZINC000070653870 384130986 /nfs/dbraw/zinc/13/09/86/384130986.db2.gz HMUNFRHZESEKRX-UHFFFAOYSA-N 1 0 223.385 3.807 20 0 BHADRO CC1(C)CCC([NH2+]CC2CCCC2)CC1 ZINC000070653977 384761774 /nfs/dbraw/zinc/76/17/74/384761774.db2.gz UAVPOVJMIZRJSN-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccco1 ZINC000070654006 135005678 /nfs/dbraw/zinc/00/56/78/135005678.db2.gz ZZCMJVVJWFBFGL-NSHDSACASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccco1 ZINC000070654007 135005826 /nfs/dbraw/zinc/00/58/26/135005826.db2.gz ZZCMJVVJWFBFGL-LLVKDONJSA-N 1 0 221.344 3.899 20 0 BHADRO Cc1csc(C[NH2+]C2CCC(C)(C)CC2)n1 ZINC000070654144 135005113 /nfs/dbraw/zinc/00/51/13/135005113.db2.gz AFQLLRSFJUHHJR-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+]C2CCC(C)(C)CC2)s1 ZINC000070654158 180150119 /nfs/dbraw/zinc/15/01/19/180150119.db2.gz MPUUBIJGJTYOIG-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+]C2CCC(C)(C)CC2)cs1 ZINC000070654159 135005662 /nfs/dbraw/zinc/00/56/62/135005662.db2.gz FEYMPYGVVYGSAO-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CC1(C)CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000070654251 325021086 /nfs/dbraw/zinc/02/10/86/325021086.db2.gz XHKVTMGUKNLXMT-ZDUSSCGKSA-N 1 0 221.388 3.901 20 0 BHADRO CC1(C)CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000070654252 325021176 /nfs/dbraw/zinc/02/11/76/325021176.db2.gz XHKVTMGUKNLXMT-CYBMUJFWSA-N 1 0 221.388 3.901 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C)(C)CC2)o1 ZINC000070654309 386646784 /nfs/dbraw/zinc/64/67/84/386646784.db2.gz ZDKBZDLCASGPBZ-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CC1(C)CCC([NH2+]Cc2ccsc2)CC1 ZINC000070654339 135003951 /nfs/dbraw/zinc/00/39/51/135003951.db2.gz GZZBBQNNXMFVLL-UHFFFAOYSA-N 1 0 223.385 3.807 20 0 BHADRO Cc1ncsc1C[NH2+]C1CCC(C)(C)CC1 ZINC000070654344 135004516 /nfs/dbraw/zinc/00/45/16/135004516.db2.gz UHTRGNAGHSOIOY-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CCC(C)(C)CC1 ZINC000070654375 325021130 /nfs/dbraw/zinc/02/11/30/325021130.db2.gz FYFTUOUQVUXJMM-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CCC(C)(C)CC1 ZINC000070654376 325021072 /nfs/dbraw/zinc/02/10/72/325021072.db2.gz FYFTUOUQVUXJMM-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C)CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000070655257 325021184 /nfs/dbraw/zinc/02/11/84/325021184.db2.gz OQEFGNAOFMLCGU-UHFFFAOYSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)C1(C)CC1 ZINC000070655258 135003713 /nfs/dbraw/zinc/00/37/13/135003713.db2.gz FKLLTLIJOAZMOI-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C1(C)CC1 ZINC000070655259 135003907 /nfs/dbraw/zinc/00/39/07/135003907.db2.gz FKLLTLIJOAZMOI-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070655313 388880482 /nfs/dbraw/zinc/88/04/82/388880482.db2.gz XUTGYLZQMLFLNH-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO Clc1ccc(C[NH2+]C2CCCCCC2)nc1 ZINC000070657594 384130662 /nfs/dbraw/zinc/13/06/62/384130662.db2.gz UFEYTIBWECIXLO-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000070682639 325022394 /nfs/dbraw/zinc/02/23/94/325022394.db2.gz VFCNGNXPJBAJNY-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000070682641 325022572 /nfs/dbraw/zinc/02/25/72/325022572.db2.gz VFCNGNXPJBAJNY-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070682700 325022570 /nfs/dbraw/zinc/02/25/70/325022570.db2.gz IIRDTXFZXGTXGH-ZDUSSCGKSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000070682702 325022386 /nfs/dbraw/zinc/02/23/86/325022386.db2.gz IIRDTXFZXGTXGH-CYBMUJFWSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000070682706 167911765 /nfs/dbraw/zinc/91/17/65/167911765.db2.gz OBYSPQMPBYRKHI-NSHDSACASA-N 1 0 223.385 3.807 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000070682708 487797189 /nfs/dbraw/zinc/79/71/89/487797189.db2.gz OBYSPQMPBYRKHI-LLVKDONJSA-N 1 0 223.385 3.807 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCC(C)(C)C2)n1 ZINC000070683167 135008633 /nfs/dbraw/zinc/00/86/33/135008633.db2.gz XNRGRAKAFXCIMQ-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCC(C)(C)C2)n1 ZINC000070683168 135007958 /nfs/dbraw/zinc/00/79/58/135007958.db2.gz XNRGRAKAFXCIMQ-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCC(C)(C)C2)s1 ZINC000070683208 359061598 /nfs/dbraw/zinc/06/15/98/359061598.db2.gz OSUFITBHXUXDJP-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCC(C)(C)C2)s1 ZINC000070683209 359061355 /nfs/dbraw/zinc/06/13/55/359061355.db2.gz OSUFITBHXUXDJP-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCC(C)(C)C2)cs1 ZINC000070683211 359061981 /nfs/dbraw/zinc/06/19/81/359061981.db2.gz UXPQBOLBLGLWAX-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCC(C)(C)C2)cs1 ZINC000070683213 359062187 /nfs/dbraw/zinc/06/21/87/359062187.db2.gz UXPQBOLBLGLWAX-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000070683241 325022496 /nfs/dbraw/zinc/02/24/96/325022496.db2.gz XHFDOAGBMQKESP-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000070683242 325022664 /nfs/dbraw/zinc/02/26/64/325022664.db2.gz XHFDOAGBMQKESP-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)o1 ZINC000070683400 134921843 /nfs/dbraw/zinc/92/18/43/134921843.db2.gz OXNNRRVTDBFTRR-GFCCVEGCSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)o1 ZINC000070683402 134922226 /nfs/dbraw/zinc/92/22/26/134922226.db2.gz OXNNRRVTDBFTRR-LBPRGKRZSA-N 1 0 221.344 3.646 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000070683475 135008140 /nfs/dbraw/zinc/00/81/40/135008140.db2.gz NSHJHGHRSMLKLC-LBPRGKRZSA-N 1 0 223.385 3.807 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000070683477 135008471 /nfs/dbraw/zinc/00/84/71/135008471.db2.gz NSHJHGHRSMLKLC-GFCCVEGCSA-N 1 0 223.385 3.807 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683493 135007758 /nfs/dbraw/zinc/00/77/58/135007758.db2.gz IMMUQOBEGTZVES-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683495 135008147 /nfs/dbraw/zinc/00/81/47/135008147.db2.gz IMMUQOBEGTZVES-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683571 325022273 /nfs/dbraw/zinc/02/22/73/325022273.db2.gz HGEKISMRPQLJSC-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683575 325022614 /nfs/dbraw/zinc/02/26/14/325022614.db2.gz HGEKISMRPQLJSC-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683578 325022285 /nfs/dbraw/zinc/02/22/85/325022285.db2.gz HGEKISMRPQLJSC-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683579 325022279 /nfs/dbraw/zinc/02/22/79/325022279.db2.gz HGEKISMRPQLJSC-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000070716104 325024860 /nfs/dbraw/zinc/02/48/60/325024860.db2.gz GFBHGHMTKCOXFU-PWSUYJOCSA-N 1 0 225.401 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000070716105 325025491 /nfs/dbraw/zinc/02/54/91/325025491.db2.gz GFBHGHMTKCOXFU-JQWIXIFHSA-N 1 0 225.401 3.622 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000070716106 325025084 /nfs/dbraw/zinc/02/50/84/325025084.db2.gz GFBHGHMTKCOXFU-ZYHUDNBSSA-N 1 0 225.401 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000070716107 325025592 /nfs/dbraw/zinc/02/55/92/325025592.db2.gz GFBHGHMTKCOXFU-CMPLNLGQSA-N 1 0 225.401 3.622 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000070716112 325025189 /nfs/dbraw/zinc/02/51/89/325025189.db2.gz FEBWMFIJKKVGLY-MNOVXSKESA-N 1 0 225.401 3.766 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000070716113 325025614 /nfs/dbraw/zinc/02/56/14/325025614.db2.gz FEBWMFIJKKVGLY-QWRGUYRKSA-N 1 0 225.401 3.766 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000070716114 325024897 /nfs/dbraw/zinc/02/48/97/325024897.db2.gz FEBWMFIJKKVGLY-GHMZBOCLSA-N 1 0 225.401 3.766 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000070716115 325024913 /nfs/dbraw/zinc/02/49/13/325024913.db2.gz FEBWMFIJKKVGLY-WDEREUQCSA-N 1 0 225.401 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C2CCCCC2)s1 ZINC000070716161 325024499 /nfs/dbraw/zinc/02/44/99/325024499.db2.gz JGNUOZONLXPEDH-LLVKDONJSA-N 1 0 237.412 3.910 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C2CCCCC2)s1 ZINC000070716163 325024786 /nfs/dbraw/zinc/02/47/86/325024786.db2.gz JGNUOZONLXPEDH-NSHDSACASA-N 1 0 237.412 3.910 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000070716272 325025601 /nfs/dbraw/zinc/02/56/01/325025601.db2.gz CERSHDMJPPHESG-MNOVXSKESA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000070716275 325025404 /nfs/dbraw/zinc/02/54/04/325025404.db2.gz CERSHDMJPPHESG-QWRGUYRKSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000070716277 325025319 /nfs/dbraw/zinc/02/53/19/325025319.db2.gz CERSHDMJPPHESG-GHMZBOCLSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000070716279 325025515 /nfs/dbraw/zinc/02/55/15/325025515.db2.gz CERSHDMJPPHESG-WDEREUQCSA-N 1 0 225.401 3.623 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000070716323 325025447 /nfs/dbraw/zinc/02/54/47/325025447.db2.gz YWVNHQGVZOYSQS-JTQLQIEISA-N 1 0 225.401 3.766 20 0 BHADRO CCC(CC)[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000070716326 325025312 /nfs/dbraw/zinc/02/53/12/325025312.db2.gz YWVNHQGVZOYSQS-SNVBAGLBSA-N 1 0 225.401 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C2CCCC2)s1 ZINC000070716361 325025467 /nfs/dbraw/zinc/02/54/67/325025467.db2.gz QOYMZOIGFBHCML-SNVBAGLBSA-N 1 0 223.385 3.520 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C2CCCC2)s1 ZINC000070716364 325025251 /nfs/dbraw/zinc/02/52/51/325025251.db2.gz QOYMZOIGFBHCML-JTQLQIEISA-N 1 0 223.385 3.520 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)c1nccs1 ZINC000070717098 343340007 /nfs/dbraw/zinc/34/00/07/343340007.db2.gz IOSBLVBTYPCNMP-NSHDSACASA-N 1 0 226.389 3.620 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)c1nccs1 ZINC000070717101 343340083 /nfs/dbraw/zinc/34/00/83/343340083.db2.gz IOSBLVBTYPCNMP-LLVKDONJSA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1nccs1 ZINC000070717108 343340053 /nfs/dbraw/zinc/34/00/53/343340053.db2.gz IEIIBRLRENTFPL-QWRGUYRKSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1nccs1 ZINC000070717111 343339899 /nfs/dbraw/zinc/33/98/99/343339899.db2.gz IEIIBRLRENTFPL-WDEREUQCSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)C)c1nccs1 ZINC000070717113 343340187 /nfs/dbraw/zinc/34/01/87/343340187.db2.gz IEIIBRLRENTFPL-MNOVXSKESA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1nccs1 ZINC000070717116 343340204 /nfs/dbraw/zinc/34/02/04/343340204.db2.gz IEIIBRLRENTFPL-GHMZBOCLSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070717170 359061428 /nfs/dbraw/zinc/06/14/28/359061428.db2.gz IJZJWSIUMWBWCN-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070717174 359062158 /nfs/dbraw/zinc/06/21/58/359062158.db2.gz IJZJWSIUMWBWCN-SRVKXCTJSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1nccs1 ZINC000070717196 359062103 /nfs/dbraw/zinc/06/21/03/359062103.db2.gz ASXRTJAVQFDYMB-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1nccs1 ZINC000070717199 359061831 /nfs/dbraw/zinc/06/18/31/359061831.db2.gz ASXRTJAVQFDYMB-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1nccs1 ZINC000070717202 359061772 /nfs/dbraw/zinc/06/17/72/359061772.db2.gz ASXRTJAVQFDYMB-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1nccs1 ZINC000070717205 359062176 /nfs/dbraw/zinc/06/21/76/359062176.db2.gz ASXRTJAVQFDYMB-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1nccs1 ZINC000070717252 359062120 /nfs/dbraw/zinc/06/21/20/359062120.db2.gz WAQINGMFJIMTJZ-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1nccs1 ZINC000070717253 359061411 /nfs/dbraw/zinc/06/14/11/359061411.db2.gz WAQINGMFJIMTJZ-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCC1)c1nccs1 ZINC000070717254 359061623 /nfs/dbraw/zinc/06/16/23/359061623.db2.gz WAQINGMFJIMTJZ-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1nccs1 ZINC000070717255 359061611 /nfs/dbraw/zinc/06/16/11/359061611.db2.gz WAQINGMFJIMTJZ-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+]CC1CCCCC1)c1nccs1 ZINC000070717258 323221914 /nfs/dbraw/zinc/22/19/14/323221914.db2.gz POOVIXDPTKVEKH-LBPRGKRZSA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCCC1)c1nccs1 ZINC000070717259 323221967 /nfs/dbraw/zinc/22/19/67/323221967.db2.gz POOVIXDPTKVEKH-GFCCVEGCSA-N 1 0 238.400 3.764 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000070717288 135009715 /nfs/dbraw/zinc/00/97/15/135009715.db2.gz UNVNRZBUUQFSAP-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000070717289 135009211 /nfs/dbraw/zinc/00/92/11/135009211.db2.gz UNVNRZBUUQFSAP-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000070717290 135009370 /nfs/dbraw/zinc/00/93/70/135009370.db2.gz UNVNRZBUUQFSAP-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000070717293 135009382 /nfs/dbraw/zinc/00/93/82/135009382.db2.gz UNVNRZBUUQFSAP-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCCC[NH2+][C@@H](CC)c1nccs1 ZINC000070717360 643064901 /nfs/dbraw/zinc/06/49/01/643064901.db2.gz WTKHIOJNJVAJMH-NSHDSACASA-N 1 0 226.389 3.764 20 0 BHADRO CCCCCC[NH2+][C@H](CC)c1nccs1 ZINC000070717361 643066082 /nfs/dbraw/zinc/06/60/82/643066082.db2.gz WTKHIOJNJVAJMH-LLVKDONJSA-N 1 0 226.389 3.764 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)C)c1nccs1 ZINC000070717367 343340348 /nfs/dbraw/zinc/34/03/48/343340348.db2.gz LAWNSIXAMFNLOM-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)C)c1nccs1 ZINC000070717369 343340246 /nfs/dbraw/zinc/34/02/46/343340246.db2.gz LAWNSIXAMFNLOM-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C)CC1)c1nccs1 ZINC000070717387 135009245 /nfs/dbraw/zinc/00/92/45/135009245.db2.gz AXFQACWVFRJPJN-MCIGGMRASA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C)CC1)c1nccs1 ZINC000070717388 135008915 /nfs/dbraw/zinc/00/89/15/135008915.db2.gz AXFQACWVFRJPJN-HTAVTVPLSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCC1)c1nccs1 ZINC000070717389 325025181 /nfs/dbraw/zinc/02/51/81/325025181.db2.gz PBHXNNXADZTDFT-LBPRGKRZSA-N 1 0 238.400 3.907 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCC1)c1nccs1 ZINC000070717390 325025533 /nfs/dbraw/zinc/02/55/33/325025533.db2.gz PBHXNNXADZTDFT-GFCCVEGCSA-N 1 0 238.400 3.907 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](CC)c1nccs1 ZINC000070717473 135009527 /nfs/dbraw/zinc/00/95/27/135009527.db2.gz DDDGOPUNVMVCBH-MNOVXSKESA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](CC)c1nccs1 ZINC000070717474 135009119 /nfs/dbraw/zinc/00/91/19/135009119.db2.gz DDDGOPUNVMVCBH-QWRGUYRKSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](CC)c1nccs1 ZINC000070717475 135009042 /nfs/dbraw/zinc/00/90/42/135009042.db2.gz DDDGOPUNVMVCBH-GHMZBOCLSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](CC)c1nccs1 ZINC000070717476 135009377 /nfs/dbraw/zinc/00/93/77/135009377.db2.gz DDDGOPUNVMVCBH-WDEREUQCSA-N 1 0 226.389 3.620 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1nccs1 ZINC000070717636 325026397 /nfs/dbraw/zinc/02/63/97/325026397.db2.gz MGTLQVIWBYAQRA-JTQLQIEISA-N 1 0 226.389 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070717671 359063328 /nfs/dbraw/zinc/06/33/28/359063328.db2.gz WSPOBIJUHULTAN-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070717672 325025075 /nfs/dbraw/zinc/02/50/75/325025075.db2.gz WSPOBIJUHULTAN-SRVKXCTJSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070717673 359063272 /nfs/dbraw/zinc/06/32/72/359063272.db2.gz WSPOBIJUHULTAN-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070717675 325025107 /nfs/dbraw/zinc/02/51/07/325025107.db2.gz WSPOBIJUHULTAN-SDDRHHMPSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1nccs1 ZINC000070732137 359062855 /nfs/dbraw/zinc/06/28/55/359062855.db2.gz JKEVKWCBZCPTBH-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1nccs1 ZINC000070732138 359063088 /nfs/dbraw/zinc/06/30/88/359063088.db2.gz JKEVKWCBZCPTBH-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1nccs1)C1CCCCC1 ZINC000070732139 359062605 /nfs/dbraw/zinc/06/26/05/359062605.db2.gz JKEVKWCBZCPTBH-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1nccs1 ZINC000070732140 359063109 /nfs/dbraw/zinc/06/31/09/359063109.db2.gz JKEVKWCBZCPTBH-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1nccs1 ZINC000070732186 134922761 /nfs/dbraw/zinc/92/27/61/134922761.db2.gz FHFTUMLHUVHYEK-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1nccs1 ZINC000070732187 359063231 /nfs/dbraw/zinc/06/32/31/359063231.db2.gz FHFTUMLHUVHYEK-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070732196 383962281 /nfs/dbraw/zinc/96/22/81/383962281.db2.gz CXOQKRYBZGOASU-MNOVXSKESA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070732197 343340364 /nfs/dbraw/zinc/34/03/64/343340364.db2.gz CXOQKRYBZGOASU-QWRGUYRKSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070732198 384135213 /nfs/dbraw/zinc/13/52/13/384135213.db2.gz CXOQKRYBZGOASU-GHMZBOCLSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070732199 343340239 /nfs/dbraw/zinc/34/02/39/343340239.db2.gz CXOQKRYBZGOASU-WDEREUQCSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nccs1 ZINC000070732212 359062897 /nfs/dbraw/zinc/06/28/97/359062897.db2.gz SSQMIAJHJHEDDM-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nccs1 ZINC000070732214 359063317 /nfs/dbraw/zinc/06/33/17/359063317.db2.gz SSQMIAJHJHEDDM-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1nccs1 ZINC000070732220 325026922 /nfs/dbraw/zinc/02/69/22/325026922.db2.gz VYTPFAYUAXQVHF-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1nccs1 ZINC000070732222 325026651 /nfs/dbraw/zinc/02/66/51/325026651.db2.gz VYTPFAYUAXQVHF-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1nccs1 ZINC000070732272 643067585 /nfs/dbraw/zinc/06/75/85/643067585.db2.gz JCIXELGKNULPJA-NSHDSACASA-N 1 0 238.400 3.907 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1nccs1 ZINC000070732273 643068200 /nfs/dbraw/zinc/06/82/00/643068200.db2.gz JCIXELGKNULPJA-LLVKDONJSA-N 1 0 238.400 3.907 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070732274 383962522 /nfs/dbraw/zinc/96/25/22/383962522.db2.gz CDMPLFCUEVZEGH-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070732275 383961494 /nfs/dbraw/zinc/96/14/94/383961494.db2.gz CDMPLFCUEVZEGH-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070732276 383961272 /nfs/dbraw/zinc/96/12/72/383961272.db2.gz CDMPLFCUEVZEGH-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070732277 383962006 /nfs/dbraw/zinc/96/20/06/383962006.db2.gz CDMPLFCUEVZEGH-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1nccs1 ZINC000070732326 135009060 /nfs/dbraw/zinc/00/90/60/135009060.db2.gz ZXEHACDQPKKBBW-JTQLQIEISA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1nccs1 ZINC000070732327 135009901 /nfs/dbraw/zinc/00/99/01/135009901.db2.gz ZXEHACDQPKKBBW-SNVBAGLBSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000070732328 535322045 /nfs/dbraw/zinc/32/20/45/535322045.db2.gz QLDTYUOBXBWCHA-UNXYVOJBSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000070732329 535322528 /nfs/dbraw/zinc/32/25/28/535322528.db2.gz QLDTYUOBXBWCHA-VOMCLLRMSA-N 1 0 238.400 3.763 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000070732344 325025621 /nfs/dbraw/zinc/02/56/21/325025621.db2.gz HHTNBSQZHNSIRZ-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000070732345 325025544 /nfs/dbraw/zinc/02/55/44/325025544.db2.gz HHTNBSQZHNSIRZ-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732450 135009455 /nfs/dbraw/zinc/00/94/55/135009455.db2.gz RJRXZKNUJXGCNP-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732451 135009505 /nfs/dbraw/zinc/00/95/05/135009505.db2.gz RJRXZKNUJXGCNP-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CC(C)C)n1 ZINC000070732456 135008964 /nfs/dbraw/zinc/00/89/64/135008964.db2.gz CFNOEJYSEWEZAB-GXSJLCMTSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CC(C)C)n1 ZINC000070732457 135009664 /nfs/dbraw/zinc/00/96/64/135009664.db2.gz CFNOEJYSEWEZAB-ONGXEEELSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CC(C)C)n1 ZINC000070732458 135009548 /nfs/dbraw/zinc/00/95/48/135009548.db2.gz CFNOEJYSEWEZAB-MWLCHTKSSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)CC(C)C)n1 ZINC000070732459 135009913 /nfs/dbraw/zinc/00/99/13/135009913.db2.gz CFNOEJYSEWEZAB-KOLCDFICSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)n1 ZINC000070732525 135010998 /nfs/dbraw/zinc/01/09/98/135010998.db2.gz VILOQEJGRNZLGO-ZMLRMANQSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)n1 ZINC000070732527 135010141 /nfs/dbraw/zinc/01/01/41/135010141.db2.gz VILOQEJGRNZLGO-DLOVCJGASA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)n1 ZINC000070732602 135010274 /nfs/dbraw/zinc/01/02/74/135010274.db2.gz MZBMSJIUUZMALT-WDEREUQCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)C2CCCC2)n1 ZINC000070732603 135010149 /nfs/dbraw/zinc/01/01/49/135010149.db2.gz MZBMSJIUUZMALT-QWRGUYRKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)C2CCCC2)n1 ZINC000070732604 135010267 /nfs/dbraw/zinc/01/02/67/135010267.db2.gz MZBMSJIUUZMALT-GHMZBOCLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)C2CCCC2)n1 ZINC000070732605 135011105 /nfs/dbraw/zinc/01/11/05/135011105.db2.gz MZBMSJIUUZMALT-MNOVXSKESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC2CCCCC2)n1 ZINC000070732616 135011085 /nfs/dbraw/zinc/01/10/85/135011085.db2.gz YUBZERJHNVBJND-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC2CCCCC2)n1 ZINC000070732617 135010926 /nfs/dbraw/zinc/01/09/26/135010926.db2.gz YUBZERJHNVBJND-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)n1 ZINC000070732628 135010966 /nfs/dbraw/zinc/01/09/66/135010966.db2.gz JGNNHHFGZCSZSC-CMPLNLGQSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CCC(C)C)n1 ZINC000070732629 135010990 /nfs/dbraw/zinc/01/09/90/135010990.db2.gz JGNNHHFGZCSZSC-JQWIXIFHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CCC(C)C)n1 ZINC000070732630 135010171 /nfs/dbraw/zinc/01/01/71/135010171.db2.gz JGNNHHFGZCSZSC-ZYHUDNBSSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)CCC(C)C)n1 ZINC000070732631 135010772 /nfs/dbraw/zinc/01/07/72/135010772.db2.gz JGNNHHFGZCSZSC-PWSUYJOCSA-N 1 0 240.416 3.927 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732640 135010896 /nfs/dbraw/zinc/01/08/96/135010896.db2.gz DPZDCCRQHZHRFT-KOLCDFICSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732641 135010592 /nfs/dbraw/zinc/01/05/92/135010592.db2.gz DPZDCCRQHZHRFT-ONGXEEELSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732642 135010535 /nfs/dbraw/zinc/01/05/35/135010535.db2.gz DPZDCCRQHZHRFT-MWLCHTKSSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732643 135010828 /nfs/dbraw/zinc/01/08/28/135010828.db2.gz DPZDCCRQHZHRFT-GXSJLCMTSA-N 1 0 226.389 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)n1 ZINC000070732687 135011016 /nfs/dbraw/zinc/01/10/16/135011016.db2.gz BHQDVIYTEHIBBS-ZMLRMANQSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)n1 ZINC000070732689 135010908 /nfs/dbraw/zinc/01/09/08/135010908.db2.gz BHQDVIYTEHIBBS-DLOVCJGASA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732705 135010426 /nfs/dbraw/zinc/01/04/26/135010426.db2.gz ZMDFODPQNWGZFT-GDPRMGEGSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732707 135011055 /nfs/dbraw/zinc/01/10/55/135011055.db2.gz ZMDFODPQNWGZFT-LSJOCFKGSA-N 1 0 226.389 3.537 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732708 643067779 /nfs/dbraw/zinc/06/77/79/643067779.db2.gz FHJMPWBWJDCHCW-NSHDSACASA-N 1 0 226.389 3.682 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732709 643067169 /nfs/dbraw/zinc/06/71/69/643067169.db2.gz FHJMPWBWJDCHCW-LLVKDONJSA-N 1 0 226.389 3.682 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCC(C)(C)C)n1 ZINC000070732710 135010299 /nfs/dbraw/zinc/01/02/99/135010299.db2.gz FBVOMAQBXXOZPK-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCC(C)(C)C)n1 ZINC000070732711 135010306 /nfs/dbraw/zinc/01/03/06/135010306.db2.gz FBVOMAQBXXOZPK-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C2CCC(C)CC2)n1 ZINC000070732720 135010528 /nfs/dbraw/zinc/01/05/28/135010528.db2.gz NAOSHNCYYNYWQZ-CKBZRRDASA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C2CCC(C)CC2)n1 ZINC000070732721 135011159 /nfs/dbraw/zinc/01/11/59/135011159.db2.gz NAOSHNCYYNYWQZ-ZYXZCXLHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C2CCCCCC2)n1 ZINC000070732722 135010861 /nfs/dbraw/zinc/01/08/61/135010861.db2.gz JRITYRJBCVUWEM-LLVKDONJSA-N 1 0 238.400 3.825 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C2CCCCCC2)n1 ZINC000070732723 135010962 /nfs/dbraw/zinc/01/09/62/135010962.db2.gz JRITYRJBCVUWEM-NSHDSACASA-N 1 0 238.400 3.825 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732746 135010371 /nfs/dbraw/zinc/01/03/71/135010371.db2.gz WJFOJSSMMWDUEE-KOLCDFICSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070732747 135010600 /nfs/dbraw/zinc/01/06/00/135010600.db2.gz WJFOJSSMMWDUEE-ONGXEEELSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732748 135011068 /nfs/dbraw/zinc/01/10/68/135011068.db2.gz WJFOJSSMMWDUEE-MWLCHTKSSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070732749 135010584 /nfs/dbraw/zinc/01/05/84/135010584.db2.gz WJFOJSSMMWDUEE-GXSJLCMTSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nc(C)cs1)C(C)C ZINC000070732762 490236558 /nfs/dbraw/zinc/23/65/58/490236558.db2.gz SQWAGQXOHATWDM-QWRGUYRKSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nc(C)cs1)C(C)C ZINC000070732763 490236602 /nfs/dbraw/zinc/23/66/02/490236602.db2.gz SQWAGQXOHATWDM-WDEREUQCSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nc(C)cs1)C(C)C ZINC000070732764 490236423 /nfs/dbraw/zinc/23/64/23/490236423.db2.gz SQWAGQXOHATWDM-MNOVXSKESA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nc(C)cs1)C(C)C ZINC000070732765 490236396 /nfs/dbraw/zinc/23/63/96/490236396.db2.gz SQWAGQXOHATWDM-GHMZBOCLSA-N 1 0 226.389 3.537 20 0 BHADRO CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000070736136 356384687 /nfs/dbraw/zinc/38/46/87/356384687.db2.gz VQLACDFJGLJANU-GFCCVEGCSA-N 1 0 227.710 3.540 20 0 BHADRO CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000070736137 356384838 /nfs/dbraw/zinc/38/48/38/356384838.db2.gz VQLACDFJGLJANU-LBPRGKRZSA-N 1 0 227.710 3.540 20 0 BHADRO CC(C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000070743518 167103088 /nfs/dbraw/zinc/10/30/88/167103088.db2.gz BGRBGXZQDBHIDK-UHFFFAOYSA-N 1 0 231.792 3.722 20 0 BHADRO CC(C)C[NH2+]CCCCc1ccc(Cl)s1 ZINC000070743629 325027642 /nfs/dbraw/zinc/02/76/42/325027642.db2.gz VPPRYIQJRAYZJF-UHFFFAOYSA-N 1 0 245.819 3.970 20 0 BHADRO CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000070744485 325027431 /nfs/dbraw/zinc/02/74/31/325027431.db2.gz LIBFYILEIAIYHG-WCQYABFASA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000070744486 325027543 /nfs/dbraw/zinc/02/75/43/325027543.db2.gz LIBFYILEIAIYHG-AAEUAGOBSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070744487 325027463 /nfs/dbraw/zinc/02/74/63/325027463.db2.gz LIBFYILEIAIYHG-DGCLKSJQSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070744488 325027454 /nfs/dbraw/zinc/02/74/54/325027454.db2.gz LIBFYILEIAIYHG-YPMHNXCESA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000070744641 325027750 /nfs/dbraw/zinc/02/77/50/325027750.db2.gz JGZQHZOZTFZZKS-WCQYABFASA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000070744642 325027776 /nfs/dbraw/zinc/02/77/76/325027776.db2.gz JGZQHZOZTFZZKS-AAEUAGOBSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000070744643 325027598 /nfs/dbraw/zinc/02/75/98/325027598.db2.gz JGZQHZOZTFZZKS-DGCLKSJQSA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000070744644 325027424 /nfs/dbraw/zinc/02/74/24/325027424.db2.gz JGZQHZOZTFZZKS-YPMHNXCESA-N 1 0 223.747 3.586 20 0 BHADRO CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000070745966 325027678 /nfs/dbraw/zinc/02/76/78/325027678.db2.gz WZXLVLBFZXVAIZ-LSDHHAIUSA-N 1 0 217.356 3.712 20 0 BHADRO CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000070745967 325027647 /nfs/dbraw/zinc/02/76/47/325027647.db2.gz WZXLVLBFZXVAIZ-GJZGRUSLSA-N 1 0 217.356 3.712 20 0 BHADRO CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000070745968 325027336 /nfs/dbraw/zinc/02/73/36/325027336.db2.gz WZXLVLBFZXVAIZ-HUUCEWRRSA-N 1 0 217.356 3.712 20 0 BHADRO CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000070745969 325027762 /nfs/dbraw/zinc/02/77/62/325027762.db2.gz WZXLVLBFZXVAIZ-CABCVRRESA-N 1 0 217.356 3.712 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000070747578 176926384 /nfs/dbraw/zinc/92/63/84/176926384.db2.gz XWNKRBMYPYDILL-DYEKYZERSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000070747580 177205243 /nfs/dbraw/zinc/20/52/43/177205243.db2.gz XWNKRBMYPYDILL-OBJOEFQTSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000070747582 384136502 /nfs/dbraw/zinc/13/65/02/384136502.db2.gz XWNKRBMYPYDILL-MBNYWOFBSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000070747583 177194034 /nfs/dbraw/zinc/19/40/34/177194034.db2.gz XWNKRBMYPYDILL-SGMGOOAPSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000070747914 176233595 /nfs/dbraw/zinc/23/35/95/176233595.db2.gz RSBFGMHRSZBXSX-PWSUYJOCSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000070747915 177205631 /nfs/dbraw/zinc/20/56/31/177205631.db2.gz RSBFGMHRSZBXSX-JQWIXIFHSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000070747922 176213372 /nfs/dbraw/zinc/21/33/72/176213372.db2.gz RSBFGMHRSZBXSX-ZYHUDNBSSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000070747960 177193591 /nfs/dbraw/zinc/19/35/91/177193591.db2.gz RSBFGMHRSZBXSX-CMPLNLGQSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000070748612 325028075 /nfs/dbraw/zinc/02/80/75/325028075.db2.gz WUPPUTYZUKCEKP-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000070748613 325028171 /nfs/dbraw/zinc/02/81/71/325028171.db2.gz WUPPUTYZUKCEKP-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000070748614 325028369 /nfs/dbraw/zinc/02/83/69/325028369.db2.gz WUPPUTYZUKCEKP-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000070748616 325028210 /nfs/dbraw/zinc/02/82/10/325028210.db2.gz WUPPUTYZUKCEKP-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000070748769 176232967 /nfs/dbraw/zinc/23/29/67/176232967.db2.gz PUUXJNNQPHJARK-OCCSQVGLSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000070748771 177204854 /nfs/dbraw/zinc/20/48/54/177204854.db2.gz PUUXJNNQPHJARK-JSGCOSHPSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000070748772 176212543 /nfs/dbraw/zinc/21/25/43/176212543.db2.gz PUUXJNNQPHJARK-TZMCWYRMSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000070748775 177193604 /nfs/dbraw/zinc/19/36/04/177193604.db2.gz PUUXJNNQPHJARK-GXTWGEPZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000070748791 643067424 /nfs/dbraw/zinc/06/74/24/643067424.db2.gz FNDXBENXSMTDCN-SUNKGSAMSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000070748795 643066933 /nfs/dbraw/zinc/06/69/33/643066933.db2.gz FNDXBENXSMTDCN-UHIISALHSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000070748806 325028468 /nfs/dbraw/zinc/02/84/68/325028468.db2.gz YZPVPLBWQBZQGU-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000070748809 325028132 /nfs/dbraw/zinc/02/81/32/325028132.db2.gz YZPVPLBWQBZQGU-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000070748810 325028250 /nfs/dbraw/zinc/02/82/50/325028250.db2.gz YZPVPLBWQBZQGU-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000070748812 325028406 /nfs/dbraw/zinc/02/84/06/325028406.db2.gz YZPVPLBWQBZQGU-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070759937 325029976 /nfs/dbraw/zinc/02/99/76/325029976.db2.gz HIBBQZHFXJGRAP-FPMFFAJLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000070759939 325029517 /nfs/dbraw/zinc/02/95/17/325029517.db2.gz HIBBQZHFXJGRAP-UBHSHLNASA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000070760011 325029715 /nfs/dbraw/zinc/02/97/15/325029715.db2.gz FITJZUSHVNWCEM-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000070760014 325029589 /nfs/dbraw/zinc/02/95/89/325029589.db2.gz FITJZUSHVNWCEM-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000070760017 325029986 /nfs/dbraw/zinc/02/99/86/325029986.db2.gz FITJZUSHVNWCEM-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000070760019 325029855 /nfs/dbraw/zinc/02/98/55/325029855.db2.gz FITJZUSHVNWCEM-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000070760062 325029887 /nfs/dbraw/zinc/02/98/87/325029887.db2.gz HPSDXYDDFLYZEH-NFAWXSAZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000070760067 325029633 /nfs/dbraw/zinc/02/96/33/325029633.db2.gz HPSDXYDDFLYZEH-UMVBOHGHSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccs1 ZINC000070760200 384136139 /nfs/dbraw/zinc/13/61/39/384136139.db2.gz NBCOXWLNCWHWQR-VWYCJHECSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccs1 ZINC000070760206 176901312 /nfs/dbraw/zinc/90/13/12/176901312.db2.gz NBCOXWLNCWHWQR-OUAUKWLOSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000070760319 176233730 /nfs/dbraw/zinc/23/37/30/176233730.db2.gz CMLGFXWNGNSXRM-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000070760322 177205236 /nfs/dbraw/zinc/20/52/36/177205236.db2.gz CMLGFXWNGNSXRM-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000070760326 176213122 /nfs/dbraw/zinc/21/31/22/176213122.db2.gz CMLGFXWNGNSXRM-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000070760330 177193250 /nfs/dbraw/zinc/19/32/50/177193250.db2.gz CMLGFXWNGNSXRM-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000070760770 325029922 /nfs/dbraw/zinc/02/99/22/325029922.db2.gz BEUSIWCIXPJRBV-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000070760771 325029572 /nfs/dbraw/zinc/02/95/72/325029572.db2.gz BEUSIWCIXPJRBV-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000070760772 325029817 /nfs/dbraw/zinc/02/98/17/325029817.db2.gz BEUSIWCIXPJRBV-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000070760773 325029533 /nfs/dbraw/zinc/02/95/33/325029533.db2.gz BEUSIWCIXPJRBV-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000070761582 325029570 /nfs/dbraw/zinc/02/95/70/325029570.db2.gz XRFIHUWRHKZRDL-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000070761583 325029522 /nfs/dbraw/zinc/02/95/22/325029522.db2.gz XRFIHUWRHKZRDL-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000070761586 325029465 /nfs/dbraw/zinc/02/94/65/325029465.db2.gz XRFIHUWRHKZRDL-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000070761587 325028427 /nfs/dbraw/zinc/02/84/27/325028427.db2.gz XRFIHUWRHKZRDL-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000070761596 325028284 /nfs/dbraw/zinc/02/82/84/325028284.db2.gz NHNOPGJRDHKFDS-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000070761598 325028358 /nfs/dbraw/zinc/02/83/58/325028358.db2.gz NHNOPGJRDHKFDS-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000070761600 325028149 /nfs/dbraw/zinc/02/81/49/325028149.db2.gz NHNOPGJRDHKFDS-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000070761602 325028336 /nfs/dbraw/zinc/02/83/36/325028336.db2.gz NHNOPGJRDHKFDS-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000070761625 325028381 /nfs/dbraw/zinc/02/83/81/325028381.db2.gz VTSWKHRINJCAAB-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000070761627 325028080 /nfs/dbraw/zinc/02/80/80/325028080.db2.gz VTSWKHRINJCAAB-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000070761628 325028272 /nfs/dbraw/zinc/02/82/72/325028272.db2.gz VTSWKHRINJCAAB-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000070761630 325028841 /nfs/dbraw/zinc/02/88/41/325028841.db2.gz VTSWKHRINJCAAB-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000070761679 325029838 /nfs/dbraw/zinc/02/98/38/325029838.db2.gz HFFUZOLIZZEARX-KCQAQPDRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000070761684 325029508 /nfs/dbraw/zinc/02/95/08/325029508.db2.gz HFFUZOLIZZEARX-YDHLFZDLSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000070761726 325029945 /nfs/dbraw/zinc/02/99/45/325029945.db2.gz AVRRIIFEEBXTNS-OLZOCXBDSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000070761728 325029285 /nfs/dbraw/zinc/02/92/85/325029285.db2.gz AVRRIIFEEBXTNS-STQMWFEESA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000070761730 325029360 /nfs/dbraw/zinc/02/93/60/325029360.db2.gz AVRRIIFEEBXTNS-CHWSQXEVSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000070761732 325028861 /nfs/dbraw/zinc/02/88/61/325028861.db2.gz AVRRIIFEEBXTNS-QWHCGFSZSA-N 1 0 235.396 3.557 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000070761893 642441297 /nfs/dbraw/zinc/44/12/97/642441297.db2.gz XPIFQIYENNSLLT-PTOFAABTSA-N 1 0 238.400 3.599 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000070762003 323254893 /nfs/dbraw/zinc/25/48/93/323254893.db2.gz VWUQBQYESHWMMI-GFJIZPEISA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000070762006 323254856 /nfs/dbraw/zinc/25/48/56/323254856.db2.gz VWUQBQYESHWMMI-ABXWRUBCSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000070762007 323254630 /nfs/dbraw/zinc/25/46/30/323254630.db2.gz VWUQBQYESHWMMI-BLYZHGLHSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000070762009 323254889 /nfs/dbraw/zinc/25/48/89/323254889.db2.gz VWUQBQYESHWMMI-RYSNWHEDSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1cccs1 ZINC000070762124 325029743 /nfs/dbraw/zinc/02/97/43/325029743.db2.gz VQPJXEHKAYTWQL-TUAOUCFPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1cccs1 ZINC000070762128 325029860 /nfs/dbraw/zinc/02/98/60/325029860.db2.gz VQPJXEHKAYTWQL-SRVKXCTJSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000070762198 325028938 /nfs/dbraw/zinc/02/89/38/325028938.db2.gz HWZREIBWCMVWTL-RFGFWPKPSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c(C)o1 ZINC000070762270 135013476 /nfs/dbraw/zinc/01/34/76/135013476.db2.gz QFAGMLQSPGCKFF-XHVZSJERSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c(C)o1 ZINC000070762274 135013173 /nfs/dbraw/zinc/01/31/73/135013173.db2.gz QFAGMLQSPGCKFF-GAFUQQFSSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000070762361 325029502 /nfs/dbraw/zinc/02/95/02/325029502.db2.gz VVTGPFKIXZYPCI-NEPJUHHUSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000070762364 325029794 /nfs/dbraw/zinc/02/97/94/325029794.db2.gz VVTGPFKIXZYPCI-RYUDHWBXSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000070762366 325029623 /nfs/dbraw/zinc/02/96/23/325029623.db2.gz VVTGPFKIXZYPCI-VXGBXAGGSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000070762368 325029749 /nfs/dbraw/zinc/02/97/49/325029749.db2.gz VVTGPFKIXZYPCI-NWDGAFQWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000070762451 535940114 /nfs/dbraw/zinc/94/01/14/535940114.db2.gz IORGGSKZRMRAOD-CFVMTHIKSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000070762456 359062618 /nfs/dbraw/zinc/06/26/18/359062618.db2.gz IORGGSKZRMRAOD-QEJZJMRPSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000070762490 325030479 /nfs/dbraw/zinc/03/04/79/325030479.db2.gz ISJCUNDENZBHJU-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000070762495 325030191 /nfs/dbraw/zinc/03/01/91/325030191.db2.gz ISJCUNDENZBHJU-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000070762527 325030630 /nfs/dbraw/zinc/03/06/30/325030630.db2.gz JKLBMBHYRUNADI-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000070762528 325030528 /nfs/dbraw/zinc/03/05/28/325030528.db2.gz JKLBMBHYRUNADI-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000070762530 325030175 /nfs/dbraw/zinc/03/01/75/325030175.db2.gz JKLBMBHYRUNADI-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000070762531 325030643 /nfs/dbraw/zinc/03/06/43/325030643.db2.gz JKLBMBHYRUNADI-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000070762533 325030223 /nfs/dbraw/zinc/03/02/23/325030223.db2.gz GUVMPKRQOBEEPW-KOLCDFICSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000070762535 325030248 /nfs/dbraw/zinc/03/02/48/325030248.db2.gz GUVMPKRQOBEEPW-ONGXEEELSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000070762537 325030684 /nfs/dbraw/zinc/03/06/84/325030684.db2.gz GUVMPKRQOBEEPW-MWLCHTKSSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000070762539 325030451 /nfs/dbraw/zinc/03/04/51/325030451.db2.gz GUVMPKRQOBEEPW-GXSJLCMTSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000070762605 134923269 /nfs/dbraw/zinc/92/32/69/134923269.db2.gz BGGUSZPGCYRLFA-NTZNESFSSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000070762610 359063390 /nfs/dbraw/zinc/06/33/90/359063390.db2.gz BGGUSZPGCYRLFA-NQBHXWOUSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000070762621 374187338 /nfs/dbraw/zinc/18/73/38/374187338.db2.gz PNGYFYYSWSLMMN-SCVCMEIPSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000070762626 134923207 /nfs/dbraw/zinc/92/32/07/134923207.db2.gz PNGYFYYSWSLMMN-JFGNBEQYSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000070762716 325030412 /nfs/dbraw/zinc/03/04/12/325030412.db2.gz NPMMWDLKKKWIDI-GNRIBBGQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000070762717 325030649 /nfs/dbraw/zinc/03/06/49/325030649.db2.gz NPMMWDLKKKWIDI-YIOUJQMASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000070762718 325030523 /nfs/dbraw/zinc/03/05/23/325030523.db2.gz NPMMWDLKKKWIDI-FKZOYECMSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000070762719 325030417 /nfs/dbraw/zinc/03/04/17/325030417.db2.gz NPMMWDLKKKWIDI-HHTDUIENSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000070762804 325030288 /nfs/dbraw/zinc/03/02/88/325030288.db2.gz WLKGVMCOUQPJGU-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000070762806 325030297 /nfs/dbraw/zinc/03/02/97/325030297.db2.gz WLKGVMCOUQPJGU-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000070762808 325030158 /nfs/dbraw/zinc/03/01/58/325030158.db2.gz WLKGVMCOUQPJGU-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000070762810 325030468 /nfs/dbraw/zinc/03/04/68/325030468.db2.gz WLKGVMCOUQPJGU-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000070762998 325029041 /nfs/dbraw/zinc/02/90/41/325029041.db2.gz IUZGGGFBNPNROE-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000070763002 325028848 /nfs/dbraw/zinc/02/88/48/325028848.db2.gz IUZGGGFBNPNROE-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000070763049 325030213 /nfs/dbraw/zinc/03/02/13/325030213.db2.gz BJDXLVRYQGVLDL-BDAKNGLRSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000070763052 325030609 /nfs/dbraw/zinc/03/06/09/325030609.db2.gz BJDXLVRYQGVLDL-IUCAKERBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000070763054 325030427 /nfs/dbraw/zinc/03/04/27/325030427.db2.gz BJDXLVRYQGVLDL-RKDXNWHRSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000070763056 325030694 /nfs/dbraw/zinc/03/06/94/325030694.db2.gz BJDXLVRYQGVLDL-DTWKUNHWSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070763079 325030447 /nfs/dbraw/zinc/03/04/47/325030447.db2.gz SSRUHYPJMQSNTK-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070763081 325030727 /nfs/dbraw/zinc/03/07/27/325030727.db2.gz SSRUHYPJMQSNTK-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070763082 325029337 /nfs/dbraw/zinc/02/93/37/325029337.db2.gz SSRUHYPJMQSNTK-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070763085 325028825 /nfs/dbraw/zinc/02/88/25/325028825.db2.gz SSRUHYPJMQSNTK-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000070763119 325030215 /nfs/dbraw/zinc/03/02/15/325030215.db2.gz XAZWCXDOPOMIFC-GMXVVIOVSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000070763122 325030311 /nfs/dbraw/zinc/03/03/11/325030311.db2.gz XAZWCXDOPOMIFC-GVXVVHGQSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)C1 ZINC000070763132 134924009 /nfs/dbraw/zinc/92/40/09/134924009.db2.gz HPAKPXATJHCDKW-TUAOUCFPSA-N 1 0 238.400 3.681 20 0 BHADRO CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000070823858 325035403 /nfs/dbraw/zinc/03/54/03/325035403.db2.gz NRCVBJGJFRSLGP-UHFFFAOYSA-N 1 0 237.393 3.832 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)s1 ZINC000070825535 325035523 /nfs/dbraw/zinc/03/55/23/325035523.db2.gz OMSIZZLMQJAAEO-ZMLRMANQSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)s1 ZINC000070825541 325035254 /nfs/dbraw/zinc/03/52/54/325035254.db2.gz OMSIZZLMQJAAEO-DLOVCJGASA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)c(C)c1 ZINC000070825543 325035120 /nfs/dbraw/zinc/03/51/20/325035120.db2.gz WAEKLZNLLTUWJI-SWLSCSKDSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)c(C)c1 ZINC000070825548 325035431 /nfs/dbraw/zinc/03/54/31/325035431.db2.gz WAEKLZNLLTUWJI-WFASDCNBSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)c(C)c1 ZINC000070825555 325034956 /nfs/dbraw/zinc/03/49/56/325034956.db2.gz WAEKLZNLLTUWJI-IUODEOHRSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C)c(C)c1 ZINC000070825560 325034869 /nfs/dbraw/zinc/03/48/69/325034869.db2.gz WAEKLZNLLTUWJI-DOMZBBRYSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000070825593 325034641 /nfs/dbraw/zinc/03/46/41/325034641.db2.gz KCUPQFGLGXYBKU-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000070825597 325035206 /nfs/dbraw/zinc/03/52/06/325035206.db2.gz KCUPQFGLGXYBKU-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000070825602 325035570 /nfs/dbraw/zinc/03/55/70/325035570.db2.gz KCUPQFGLGXYBKU-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000070825604 325035074 /nfs/dbraw/zinc/03/50/74/325035074.db2.gz KCUPQFGLGXYBKU-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000070825621 176132228 /nfs/dbraw/zinc/13/22/28/176132228.db2.gz AYENBKPSJYXYDX-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000070825625 177126748 /nfs/dbraw/zinc/12/67/48/177126748.db2.gz AYENBKPSJYXYDX-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000070825628 176150581 /nfs/dbraw/zinc/15/05/81/176150581.db2.gz AYENBKPSJYXYDX-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000070825633 177142469 /nfs/dbraw/zinc/14/24/69/177142469.db2.gz AYENBKPSJYXYDX-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000070825789 325035261 /nfs/dbraw/zinc/03/52/61/325035261.db2.gz PGFYJRWYZBYTPR-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000070825794 325035290 /nfs/dbraw/zinc/03/52/90/325035290.db2.gz PGFYJRWYZBYTPR-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000070825799 325035090 /nfs/dbraw/zinc/03/50/90/325035090.db2.gz PGFYJRWYZBYTPR-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000070825801 325034769 /nfs/dbraw/zinc/03/47/69/325034769.db2.gz PGFYJRWYZBYTPR-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000070826396 325035308 /nfs/dbraw/zinc/03/53/08/325035308.db2.gz GCJWWDUKALONNJ-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000070826400 325035567 /nfs/dbraw/zinc/03/55/67/325035567.db2.gz GCJWWDUKALONNJ-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000070826403 325035394 /nfs/dbraw/zinc/03/53/94/325035394.db2.gz GCJWWDUKALONNJ-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000070826411 325035573 /nfs/dbraw/zinc/03/55/73/325035573.db2.gz GCJWWDUKALONNJ-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070826459 325035554 /nfs/dbraw/zinc/03/55/54/325035554.db2.gz NARONXLSCAPNSI-KCQAQPDRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000070826470 325035558 /nfs/dbraw/zinc/03/55/58/325035558.db2.gz NARONXLSCAPNSI-YDHLFZDLSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccs1 ZINC000070826489 388440517 /nfs/dbraw/zinc/44/05/17/388440517.db2.gz YESPWZAWSMUVOM-VWYCJHECSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccs1 ZINC000070826493 388440055 /nfs/dbraw/zinc/44/00/55/388440055.db2.gz YESPWZAWSMUVOM-DCAQKATOSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccs1 ZINC000070826495 388440539 /nfs/dbraw/zinc/44/05/39/388440539.db2.gz YESPWZAWSMUVOM-OUAUKWLOSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccs1 ZINC000070826499 388440520 /nfs/dbraw/zinc/44/05/20/388440520.db2.gz YESPWZAWSMUVOM-GARJFASQSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000070826546 323311141 /nfs/dbraw/zinc/31/11/41/323311141.db2.gz JEIQMPYAFGFAOD-KCQAQPDRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000070826553 323311794 /nfs/dbraw/zinc/31/17/94/323311794.db2.gz JEIQMPYAFGFAOD-YDHLFZDLSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1F ZINC000070826557 323311727 /nfs/dbraw/zinc/31/17/27/323311727.db2.gz JYIQQRLTWWFESA-SUNKGSAMSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1F ZINC000070826562 325035161 /nfs/dbraw/zinc/03/51/61/325035161.db2.gz JYIQQRLTWWFESA-MJVIPROJSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1F ZINC000070826564 325035427 /nfs/dbraw/zinc/03/54/27/325035427.db2.gz JYIQQRLTWWFESA-UHIISALHSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1F ZINC000070826568 325035172 /nfs/dbraw/zinc/03/51/72/325035172.db2.gz JYIQQRLTWWFESA-COPLHBTASA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000070826587 325035584 /nfs/dbraw/zinc/03/55/84/325035584.db2.gz UJCIOFKBOOMGLO-SUNKGSAMSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000070826590 325035597 /nfs/dbraw/zinc/03/55/97/325035597.db2.gz UJCIOFKBOOMGLO-MJVIPROJSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000070826592 325035439 /nfs/dbraw/zinc/03/54/39/325035439.db2.gz UJCIOFKBOOMGLO-UHIISALHSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000070826595 325035182 /nfs/dbraw/zinc/03/51/82/325035182.db2.gz UJCIOFKBOOMGLO-COPLHBTASA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000070826667 325035321 /nfs/dbraw/zinc/03/53/21/325035321.db2.gz ZTDOVRHXOZQIMY-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000070826671 325035131 /nfs/dbraw/zinc/03/51/31/325035131.db2.gz ZTDOVRHXOZQIMY-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000070826674 325035617 /nfs/dbraw/zinc/03/56/17/325035617.db2.gz ZTDOVRHXOZQIMY-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000070826676 325035361 /nfs/dbraw/zinc/03/53/61/325035361.db2.gz ZTDOVRHXOZQIMY-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000070826682 398139294 /nfs/dbraw/zinc/13/92/94/398139294.db2.gz PQQUQFYXUGPQNP-DYEKYZERSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070826686 398139379 /nfs/dbraw/zinc/13/93/79/398139379.db2.gz PQQUQFYXUGPQNP-OBJOEFQTSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000070826689 176898135 /nfs/dbraw/zinc/89/81/35/176898135.db2.gz PQQUQFYXUGPQNP-MBNYWOFBSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070826692 398139081 /nfs/dbraw/zinc/13/90/81/398139081.db2.gz PQQUQFYXUGPQNP-SGMGOOAPSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070826739 535935230 /nfs/dbraw/zinc/93/52/30/535935230.db2.gz SWOKKVPZLSOLDZ-AEGPPILISA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070826747 359064174 /nfs/dbraw/zinc/06/41/74/359064174.db2.gz SWOKKVPZLSOLDZ-QEJZJMRPSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccsc1 ZINC000070826841 398139288 /nfs/dbraw/zinc/13/92/88/398139288.db2.gz SAFOFWMKTOTYOD-SCVCMEIPSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccsc1 ZINC000070826845 176921886 /nfs/dbraw/zinc/92/18/86/176921886.db2.gz SAFOFWMKTOTYOD-NHCYSSNCSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccsc1 ZINC000070826849 398139189 /nfs/dbraw/zinc/13/91/89/398139189.db2.gz SAFOFWMKTOTYOD-JFGNBEQYSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccsc1 ZINC000070826852 398139411 /nfs/dbraw/zinc/13/94/11/398139411.db2.gz SAFOFWMKTOTYOD-JBLDHEPKSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc(F)c1 ZINC000070826870 325035610 /nfs/dbraw/zinc/03/56/10/325035610.db2.gz KCGRRGYGYYITFZ-SUNKGSAMSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000070826873 325035109 /nfs/dbraw/zinc/03/51/09/325035109.db2.gz KCGRRGYGYYITFZ-MJVIPROJSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc(F)c1 ZINC000070826876 325035369 /nfs/dbraw/zinc/03/53/69/325035369.db2.gz KCGRRGYGYYITFZ-UHIISALHSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000070826879 325035476 /nfs/dbraw/zinc/03/54/76/325035476.db2.gz KCGRRGYGYYITFZ-COPLHBTASA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccs1 ZINC000070827029 643073323 /nfs/dbraw/zinc/07/33/23/643073323.db2.gz DWWSVJJAMJQXBN-SDDRHHMPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccs1 ZINC000070827037 643073050 /nfs/dbraw/zinc/07/30/50/643073050.db2.gz DWWSVJJAMJQXBN-SRVKXCTJSA-N 1 0 223.385 3.977 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(C)s1 ZINC000070827046 490239653 /nfs/dbraw/zinc/23/96/53/490239653.db2.gz MDYJZEXIUDWXPQ-HOTUBEGUSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(C)s1 ZINC000070827054 491121474 /nfs/dbraw/zinc/12/14/74/491121474.db2.gz MDYJZEXIUDWXPQ-AUTRQRHGSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000070827077 325035146 /nfs/dbraw/zinc/03/51/46/325035146.db2.gz XSZJFWYUFYDZNB-NFAWXSAZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070827079 325035501 /nfs/dbraw/zinc/03/55/01/325035501.db2.gz XSZJFWYUFYDZNB-GUTXKFCHSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000070827084 323312326 /nfs/dbraw/zinc/31/23/26/323312326.db2.gz XSZJFWYUFYDZNB-UMVBOHGHSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000070827087 325035757 /nfs/dbraw/zinc/03/57/57/325035757.db2.gz XSZJFWYUFYDZNB-GZBFAFLISA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070827137 176132250 /nfs/dbraw/zinc/13/22/50/176132250.db2.gz ODPHHWWRTAGDDF-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070827141 177126786 /nfs/dbraw/zinc/12/67/86/177126786.db2.gz ODPHHWWRTAGDDF-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070827145 176150595 /nfs/dbraw/zinc/15/05/95/176150595.db2.gz ODPHHWWRTAGDDF-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070827147 177142860 /nfs/dbraw/zinc/14/28/60/177142860.db2.gz ODPHHWWRTAGDDF-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000070827152 325035792 /nfs/dbraw/zinc/03/57/92/325035792.db2.gz ZVHMSSGVGVAOHY-RISCZKNCSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000070827156 325036184 /nfs/dbraw/zinc/03/61/84/325036184.db2.gz ZVHMSSGVGVAOHY-FZMZJTMJSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000070827159 325035807 /nfs/dbraw/zinc/03/58/07/325035807.db2.gz ZVHMSSGVGVAOHY-BXUZGUMPSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000070827163 325036147 /nfs/dbraw/zinc/03/61/47/325036147.db2.gz ZVHMSSGVGVAOHY-SMDDNHRTSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(C)o1 ZINC000070827239 178252964 /nfs/dbraw/zinc/25/29/64/178252964.db2.gz XSSSPVWUGZLMGY-NURSFMCSSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(C)o1 ZINC000070827247 178257261 /nfs/dbraw/zinc/25/72/61/178257261.db2.gz XSSSPVWUGZLMGY-CHIMOYNISA-N 1 0 221.344 3.736 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C1CCCCC1 ZINC000070827706 325035675 /nfs/dbraw/zinc/03/56/75/325035675.db2.gz VTLXDRZCUVDZFX-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCCCC1 ZINC000070827711 383963988 /nfs/dbraw/zinc/96/39/88/383963988.db2.gz VTLXDRZCUVDZFX-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000070827732 325035995 /nfs/dbraw/zinc/03/59/95/325035995.db2.gz ORPFYWUGFHCYJH-KCQAQPDRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000070827739 325035471 /nfs/dbraw/zinc/03/54/71/325035471.db2.gz ORPFYWUGFHCYJH-YDHLFZDLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1C ZINC000070827758 325035166 /nfs/dbraw/zinc/03/51/66/325035166.db2.gz UFRIEZXJBVGUQY-SWLSCSKDSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1C ZINC000070827760 325035102 /nfs/dbraw/zinc/03/51/02/325035102.db2.gz UFRIEZXJBVGUQY-WFASDCNBSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1C ZINC000070827763 325036047 /nfs/dbraw/zinc/03/60/47/325036047.db2.gz UFRIEZXJBVGUQY-IUODEOHRSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1C ZINC000070827767 325036022 /nfs/dbraw/zinc/03/60/22/325036022.db2.gz UFRIEZXJBVGUQY-DOMZBBRYSA-N 1 0 217.356 3.582 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)s1 ZINC000070828116 325035802 /nfs/dbraw/zinc/03/58/02/325035802.db2.gz LFTJNYFUGDHEPJ-GXFFZTMASA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)s1 ZINC000070828119 325036078 /nfs/dbraw/zinc/03/60/78/325036078.db2.gz LFTJNYFUGDHEPJ-GWCFXTLKSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)s1 ZINC000070828121 325035914 /nfs/dbraw/zinc/03/59/14/325035914.db2.gz LFTJNYFUGDHEPJ-ZWNOBZJWSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000070828122 325035870 /nfs/dbraw/zinc/03/58/70/325035870.db2.gz LFTJNYFUGDHEPJ-MFKMUULPSA-N 1 0 223.385 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000070828621 359064003 /nfs/dbraw/zinc/06/40/03/359064003.db2.gz MVGBGZLABLFMLB-KGYLQXTDSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000070828629 134924295 /nfs/dbraw/zinc/92/42/95/134924295.db2.gz MVGBGZLABLFMLB-RAIGVLPGSA-N 1 0 235.396 3.904 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000070828696 325036031 /nfs/dbraw/zinc/03/60/31/325036031.db2.gz XBJHZHMTEJLUTG-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000070828699 325035938 /nfs/dbraw/zinc/03/59/38/325035938.db2.gz XBJHZHMTEJLUTG-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000070828701 325036211 /nfs/dbraw/zinc/03/62/11/325036211.db2.gz XBJHZHMTEJLUTG-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000070828706 325035679 /nfs/dbraw/zinc/03/56/79/325035679.db2.gz XBJHZHMTEJLUTG-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1C ZINC000070829041 325036042 /nfs/dbraw/zinc/03/60/42/325036042.db2.gz BCYHPVAEBHFZTE-SWLSCSKDSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1C ZINC000070829043 325036106 /nfs/dbraw/zinc/03/61/06/325036106.db2.gz BCYHPVAEBHFZTE-WFASDCNBSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1C ZINC000070829047 325036038 /nfs/dbraw/zinc/03/60/38/325036038.db2.gz BCYHPVAEBHFZTE-IUODEOHRSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1C ZINC000070829049 325035884 /nfs/dbraw/zinc/03/58/84/325035884.db2.gz BCYHPVAEBHFZTE-DOMZBBRYSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000070829099 325036026 /nfs/dbraw/zinc/03/60/26/325036026.db2.gz ZTZKIKOOKWBMPR-DZGCQCFKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000070829103 325036144 /nfs/dbraw/zinc/03/61/44/325036144.db2.gz ZTZKIKOOKWBMPR-ZFWWWQNUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000070829107 325036130 /nfs/dbraw/zinc/03/61/30/325036130.db2.gz ZTZKIKOOKWBMPR-UKRRQHHQSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000070829111 325034967 /nfs/dbraw/zinc/03/49/67/325034967.db2.gz ZTZKIKOOKWBMPR-HIFRSBDPSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000070829126 325034935 /nfs/dbraw/zinc/03/49/35/325034935.db2.gz TVNVTFIXLAXTJK-DZGCQCFKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000070829131 325034370 /nfs/dbraw/zinc/03/43/70/325034370.db2.gz TVNVTFIXLAXTJK-ZFWWWQNUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000070829132 325034840 /nfs/dbraw/zinc/03/48/40/325034840.db2.gz TVNVTFIXLAXTJK-UKRRQHHQSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000070829135 325034584 /nfs/dbraw/zinc/03/45/84/325034584.db2.gz TVNVTFIXLAXTJK-HIFRSBDPSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000070829138 325034384 /nfs/dbraw/zinc/03/43/84/325034384.db2.gz AJJUQXDMGZLWTP-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000070829142 325034603 /nfs/dbraw/zinc/03/46/03/325034603.db2.gz AJJUQXDMGZLWTP-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000070829143 325034659 /nfs/dbraw/zinc/03/46/59/325034659.db2.gz AJJUQXDMGZLWTP-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000070829148 325035421 /nfs/dbraw/zinc/03/54/21/325035421.db2.gz AJJUQXDMGZLWTP-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)c(C)s1 ZINC000070829222 325035277 /nfs/dbraw/zinc/03/52/77/325035277.db2.gz MSGDYQOBERCXCA-TVQRCGJNSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C)c(C)s1 ZINC000070829224 325035526 /nfs/dbraw/zinc/03/55/26/325035526.db2.gz MSGDYQOBERCXCA-ZANVPECISA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C)c(C)s1 ZINC000070829227 325035230 /nfs/dbraw/zinc/03/52/30/325035230.db2.gz MSGDYQOBERCXCA-NOZJJQNGSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C)c(C)s1 ZINC000070829231 325035272 /nfs/dbraw/zinc/03/52/72/325035272.db2.gz MSGDYQOBERCXCA-RNCFNFMXSA-N 1 0 223.385 3.643 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000070829234 325036125 /nfs/dbraw/zinc/03/61/25/325036125.db2.gz FJAFFZHOLUJHHQ-SCDSUCTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000070829239 325035692 /nfs/dbraw/zinc/03/56/92/325035692.db2.gz FJAFFZHOLUJHHQ-MPKXVKKWSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000070830668 325035966 /nfs/dbraw/zinc/03/59/66/325035966.db2.gz GUORUFKRCKEHLK-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000070830672 325035823 /nfs/dbraw/zinc/03/58/23/325035823.db2.gz GUORUFKRCKEHLK-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000070830673 325036098 /nfs/dbraw/zinc/03/60/98/325036098.db2.gz GUORUFKRCKEHLK-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000070830679 325036115 /nfs/dbraw/zinc/03/61/15/325036115.db2.gz GUORUFKRCKEHLK-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1scnc1C ZINC000070836362 643073755 /nfs/dbraw/zinc/07/37/55/643073755.db2.gz HUHLIEYLOXRBIK-LLVKDONJSA-N 1 0 240.416 3.900 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1scnc1C ZINC000070836365 643073818 /nfs/dbraw/zinc/07/38/18/643073818.db2.gz HUHLIEYLOXRBIK-NSHDSACASA-N 1 0 240.416 3.900 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1scnc1C ZINC000070836376 325036414 /nfs/dbraw/zinc/03/64/14/325036414.db2.gz XSUPYIWAFDAKPG-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1scnc1C ZINC000070836379 325036719 /nfs/dbraw/zinc/03/67/19/325036719.db2.gz XSUPYIWAFDAKPG-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1scnc1C ZINC000070836383 325036332 /nfs/dbraw/zinc/03/63/32/325036332.db2.gz XSUPYIWAFDAKPG-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1scnc1C ZINC000070836386 325036569 /nfs/dbraw/zinc/03/65/69/325036569.db2.gz XSUPYIWAFDAKPG-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC(CCC)[NH2+]Cc1scnc1C ZINC000070836388 325036470 /nfs/dbraw/zinc/03/64/70/325036470.db2.gz RZYUQGJCOUTWKH-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO Cc1ncsc1C[NH2+]C1CCCCCCC1 ZINC000070836436 180320208 /nfs/dbraw/zinc/32/02/08/180320208.db2.gz BOPXAZNNYAFUOV-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CCC1CCC([NH2+]Cc2scnc2C)CC1 ZINC000070836437 387078122 /nfs/dbraw/zinc/07/81/22/387078122.db2.gz RMNGGAQJTINTRP-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1scnc1C ZINC000070836606 383954729 /nfs/dbraw/zinc/95/47/29/383954729.db2.gz WGRMXUXNOLVBHA-SNVBAGLBSA-N 1 0 226.389 3.510 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1scnc1C ZINC000070836610 383953470 /nfs/dbraw/zinc/95/34/70/383953470.db2.gz WGRMXUXNOLVBHA-JTQLQIEISA-N 1 0 226.389 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000070836729 323314869 /nfs/dbraw/zinc/31/48/69/323314869.db2.gz OSFSTBKBRUAXNC-JTQLQIEISA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)C1CCCCC1 ZINC000070836731 323314378 /nfs/dbraw/zinc/31/43/78/323314378.db2.gz OSFSTBKBRUAXNC-SNVBAGLBSA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCC(F)(F)F ZINC000070912818 325044337 /nfs/dbraw/zinc/04/43/37/325044337.db2.gz ORXJAMJWJDOUSL-UHFFFAOYSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)C1CCCCC1 ZINC000070913017 325044551 /nfs/dbraw/zinc/04/45/51/325044551.db2.gz LJXLRXYCJZPZRV-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)C1CCCCC1 ZINC000070913020 325044452 /nfs/dbraw/zinc/04/44/52/325044452.db2.gz LJXLRXYCJZPZRV-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[NH+](CCCC)Cc1cscn1 ZINC000070926826 384141413 /nfs/dbraw/zinc/14/14/13/384141413.db2.gz BRKDIMWMJAJTGB-UHFFFAOYSA-N 1 0 226.389 3.545 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938458 325045860 /nfs/dbraw/zinc/04/58/60/325045860.db2.gz AYFUUXIUUCYSSZ-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938460 325045590 /nfs/dbraw/zinc/04/55/90/325045590.db2.gz AYFUUXIUUCYSSZ-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938462 387159875 /nfs/dbraw/zinc/15/98/75/387159875.db2.gz AYFUUXIUUCYSSZ-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938463 387159352 /nfs/dbraw/zinc/15/93/52/387159352.db2.gz AYFUUXIUUCYSSZ-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO c1cc2c(cccc2C[NH2+]CC2CCCCC2)[nH]1 ZINC000070938502 325045629 /nfs/dbraw/zinc/04/56/29/325045629.db2.gz KZXLSRARSVDWMP-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070938621 359065999 /nfs/dbraw/zinc/06/59/99/359065999.db2.gz AYDNWAMFWBJZAR-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccco1 ZINC000070938675 343574069 /nfs/dbraw/zinc/57/40/69/343574069.db2.gz YGZOYAWRGIDLFK-NSHDSACASA-N 1 0 240.306 3.612 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccco1 ZINC000070938677 343573671 /nfs/dbraw/zinc/57/36/71/343573671.db2.gz YGZOYAWRGIDLFK-LLVKDONJSA-N 1 0 240.306 3.612 20 0 BHADRO c1cc2c(cccc2C[NH2+]CCC2CCCC2)[nH]1 ZINC000070938746 325045790 /nfs/dbraw/zinc/04/57/90/325045790.db2.gz XUZBCXVDNGMFFU-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938755 384141512 /nfs/dbraw/zinc/14/15/12/384141512.db2.gz VQSMAGBRTBHPKI-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO c1cc2c(cccc2C[NH2+]Cc2ccsc2)[nH]1 ZINC000070938904 359066282 /nfs/dbraw/zinc/06/62/82/359066282.db2.gz FULCUMUWKYCPSI-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939058 643395653 /nfs/dbraw/zinc/39/56/53/643395653.db2.gz SMBSJTRPGWRDDR-VXGBXAGGSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939060 171365468 /nfs/dbraw/zinc/36/54/68/171365468.db2.gz SMBSJTRPGWRDDR-NWDGAFQWSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939061 170791042 /nfs/dbraw/zinc/79/10/42/170791042.db2.gz SMBSJTRPGWRDDR-NEPJUHHUSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939063 171389291 /nfs/dbraw/zinc/38/92/91/171389291.db2.gz SMBSJTRPGWRDDR-RYUDHWBXSA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939092 325045800 /nfs/dbraw/zinc/04/58/00/325045800.db2.gz RYBMMNPNXIBJCY-OCCSQVGLSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939094 325045986 /nfs/dbraw/zinc/04/59/86/325045986.db2.gz RYBMMNPNXIBJCY-JSGCOSHPSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939096 325045953 /nfs/dbraw/zinc/04/59/53/325045953.db2.gz RYBMMNPNXIBJCY-TZMCWYRMSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939098 325045727 /nfs/dbraw/zinc/04/57/27/325045727.db2.gz RYBMMNPNXIBJCY-GXTWGEPZSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)C ZINC000070939129 325045927 /nfs/dbraw/zinc/04/59/27/325045927.db2.gz LRIWUALBTXNINF-AWEZNQCLSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)C ZINC000070939131 325045961 /nfs/dbraw/zinc/04/59/61/325045961.db2.gz LRIWUALBTXNINF-CQSZACIVSA-N 1 0 230.355 3.692 20 0 BHADRO c1cc2c(cccc2C[NH2+]C[C@H]2CC=CCC2)[nH]1 ZINC000070939136 191837068 /nfs/dbraw/zinc/83/70/68/191837068.db2.gz BUUGGSYNYKHEIM-ZDUSSCGKSA-N 1 0 240.350 3.614 20 0 BHADRO c1cc2c(cccc2C[NH2+]C[C@@H]2CC=CCC2)[nH]1 ZINC000070939137 387086036 /nfs/dbraw/zinc/08/60/36/387086036.db2.gz BUUGGSYNYKHEIM-CYBMUJFWSA-N 1 0 240.350 3.614 20 0 BHADRO CC1([NH2+]Cc2cccc3[nH]ccc32)CCCCC1 ZINC000070940064 325045631 /nfs/dbraw/zinc/04/56/31/325045631.db2.gz HUBVHKQYPJGYOF-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CC1([NH2+]Cc2cccc3[nH]ccc32)CCCC1 ZINC000070940065 168064780 /nfs/dbraw/zinc/06/47/80/168064780.db2.gz YEGDTALSIWQNBD-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941055 387198855 /nfs/dbraw/zinc/19/88/55/387198855.db2.gz ZPQRUIPHKFWMAY-CYBMUJFWSA-N 1 0 230.355 3.836 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941056 323503963 /nfs/dbraw/zinc/50/39/63/323503963.db2.gz ZPQRUIPHKFWMAY-ZDUSSCGKSA-N 1 0 230.355 3.836 20 0 BHADRO Cc1cc(C)cc(CN[C@@H](C)c2nccs2)c1 ZINC000070942426 325045851 /nfs/dbraw/zinc/04/58/51/325045851.db2.gz NIUCSVQOYUEVLN-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCc1ccc(CN[C@@H](C)c2nccs2)cc1 ZINC000070942586 325045869 /nfs/dbraw/zinc/04/58/69/325045869.db2.gz QSIPGUCFZSVQFN-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO Cc1cccc(CN[C@@H](C)c2nccs2)c1C ZINC000070942616 325045806 /nfs/dbraw/zinc/04/58/06/325045806.db2.gz QUYDEONCFKDLAF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(CN[C@@H](C)c2nccs2)cc1C ZINC000070942618 325045710 /nfs/dbraw/zinc/04/57/10/325045710.db2.gz KZVBIQABMHNPOJ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(CN[C@@H](C)c2nccs2)c(C)c1 ZINC000070942642 398141508 /nfs/dbraw/zinc/14/15/08/398141508.db2.gz PVTOHKXCINTWMJ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(CN[C@H](C)c2nccs2)c(C)c1 ZINC000070942643 398141626 /nfs/dbraw/zinc/14/16/26/398141626.db2.gz PVTOHKXCINTWMJ-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO CC1(C[NH2+]Cc2cccc3[nH]ccc32)CCCC1 ZINC000070976859 323662477 /nfs/dbraw/zinc/66/24/77/323662477.db2.gz CVLXPLPOUUJBDL-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000070978534 325048259 /nfs/dbraw/zinc/04/82/59/325048259.db2.gz FAWCDHJJAQNIKW-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000070978536 325048188 /nfs/dbraw/zinc/04/81/88/325048188.db2.gz FAWCDHJJAQNIKW-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000070978537 325048246 /nfs/dbraw/zinc/04/82/46/325048246.db2.gz FAWCDHJJAQNIKW-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000070978540 325048210 /nfs/dbraw/zinc/04/82/10/325048210.db2.gz FAWCDHJJAQNIKW-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000070984384 384145116 /nfs/dbraw/zinc/14/51/16/384145116.db2.gz YAUODWAQZLTOAS-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000070984387 343958797 /nfs/dbraw/zinc/95/87/97/343958797.db2.gz YAUODWAQZLTOAS-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccs1)c1ccccc1 ZINC000070984388 384145962 /nfs/dbraw/zinc/14/59/62/384145962.db2.gz YAUODWAQZLTOAS-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nccs1)c1ccccc1 ZINC000070984391 343958841 /nfs/dbraw/zinc/95/88/41/343958841.db2.gz YAUODWAQZLTOAS-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000070989422 325048783 /nfs/dbraw/zinc/04/87/83/325048783.db2.gz IMSRRTQLVIFTJM-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000070989424 325048943 /nfs/dbraw/zinc/04/89/43/325048943.db2.gz IMSRRTQLVIFTJM-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO COc1ccsc1C[NH2+]C1CCCCCC1 ZINC000070993666 325049738 /nfs/dbraw/zinc/04/97/38/325049738.db2.gz BBTMRWXNJZIIIC-UHFFFAOYSA-N 1 0 239.384 3.569 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC)C1 ZINC000071104669 325054829 /nfs/dbraw/zinc/05/48/29/325054829.db2.gz VXXPDNDHNBGJAY-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OC)C1 ZINC000071104673 325054854 /nfs/dbraw/zinc/05/48/54/325054854.db2.gz VXXPDNDHNBGJAY-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC)C1 ZINC000071104677 325054415 /nfs/dbraw/zinc/05/44/15/325054415.db2.gz VXXPDNDHNBGJAY-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC)C1 ZINC000071104680 325054765 /nfs/dbraw/zinc/05/47/65/325054765.db2.gz VXXPDNDHNBGJAY-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000071104741 325054856 /nfs/dbraw/zinc/05/48/56/325054856.db2.gz MJNYLHLRIZOFRF-CJNGLKHVSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000071104744 325054477 /nfs/dbraw/zinc/05/44/77/325054477.db2.gz MJNYLHLRIZOFRF-BBRMVZONSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000071104746 325054400 /nfs/dbraw/zinc/05/44/00/325054400.db2.gz MJNYLHLRIZOFRF-CZUORRHYSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000071104750 325054559 /nfs/dbraw/zinc/05/45/59/325054559.db2.gz MJNYLHLRIZOFRF-XJKSGUPXSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000071105176 325054706 /nfs/dbraw/zinc/05/47/06/325054706.db2.gz QXAWJDXBPZQOMG-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000071105180 325054448 /nfs/dbraw/zinc/05/44/48/325054448.db2.gz QXAWJDXBPZQOMG-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000071105182 325054816 /nfs/dbraw/zinc/05/48/16/325054816.db2.gz QXAWJDXBPZQOMG-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000071105186 325054782 /nfs/dbraw/zinc/05/47/82/325054782.db2.gz QXAWJDXBPZQOMG-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000071105365 325054850 /nfs/dbraw/zinc/05/48/50/325054850.db2.gz SEGMNZJYJMBVSN-HIFRSBDPSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000071105367 325054838 /nfs/dbraw/zinc/05/48/38/325054838.db2.gz SEGMNZJYJMBVSN-ZFWWWQNUSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000071105371 325054540 /nfs/dbraw/zinc/05/45/40/325054540.db2.gz SEGMNZJYJMBVSN-UKRRQHHQSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000071105377 325054818 /nfs/dbraw/zinc/05/48/18/325054818.db2.gz SEGMNZJYJMBVSN-DZGCQCFKSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000071105682 325054822 /nfs/dbraw/zinc/05/48/22/325054822.db2.gz YQVMMPQTKNZFQW-ZBFHGGJFSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000071105685 325054425 /nfs/dbraw/zinc/05/44/25/325054425.db2.gz YQVMMPQTKNZFQW-HOCLYGCPSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000071105688 325054713 /nfs/dbraw/zinc/05/47/13/325054713.db2.gz YQVMMPQTKNZFQW-GDBMZVCRSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000071105691 325055450 /nfs/dbraw/zinc/05/54/50/325055450.db2.gz YQVMMPQTKNZFQW-GOEBONIOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000071105748 325055387 /nfs/dbraw/zinc/05/53/87/325055387.db2.gz RXYBDGSJPWUBHI-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000071105752 325055445 /nfs/dbraw/zinc/05/54/45/325055445.db2.gz RXYBDGSJPWUBHI-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000071105757 323850500 /nfs/dbraw/zinc/85/05/00/323850500.db2.gz RXYBDGSJPWUBHI-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000071105760 323850121 /nfs/dbraw/zinc/85/01/21/323850121.db2.gz RXYBDGSJPWUBHI-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000071105764 388001104 /nfs/dbraw/zinc/00/11/04/388001104.db2.gz ZQFQQTNYKVUKMO-OCCSQVGLSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000071105768 323850563 /nfs/dbraw/zinc/85/05/63/323850563.db2.gz ZQFQQTNYKVUKMO-JSGCOSHPSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000071105771 323850283 /nfs/dbraw/zinc/85/02/83/323850283.db2.gz ZQFQQTNYKVUKMO-TZMCWYRMSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000071105776 323850319 /nfs/dbraw/zinc/85/03/19/323850319.db2.gz ZQFQQTNYKVUKMO-GXTWGEPZSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000071106425 343961000 /nfs/dbraw/zinc/96/10/00/343961000.db2.gz DYCQRZJEPJLUPN-MJBXVCDLSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000071106429 490254937 /nfs/dbraw/zinc/25/49/37/490254937.db2.gz DYCQRZJEPJLUPN-IHRRRGAJSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000071106432 343961114 /nfs/dbraw/zinc/96/11/14/343961114.db2.gz DYCQRZJEPJLUPN-BFHYXJOUSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000071106437 490255190 /nfs/dbraw/zinc/25/51/90/490255190.db2.gz DYCQRZJEPJLUPN-MELADBBJSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000071106583 170996475 /nfs/dbraw/zinc/99/64/75/170996475.db2.gz UWRIIORKXVCSQO-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000071106592 325055486 /nfs/dbraw/zinc/05/54/86/325055486.db2.gz UWRIIORKXVCSQO-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000071106597 343960932 /nfs/dbraw/zinc/96/09/32/343960932.db2.gz UWRIIORKXVCSQO-GZBFAFLISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000071106600 325055127 /nfs/dbraw/zinc/05/51/27/325055127.db2.gz UWRIIORKXVCSQO-KCQAQPDRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCOCC(C)C)C1 ZINC000071107175 388007970 /nfs/dbraw/zinc/00/79/70/388007970.db2.gz HINHMMWCKMEVDX-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCOCC(C)C)C1 ZINC000071107179 323856111 /nfs/dbraw/zinc/85/61/11/323856111.db2.gz HINHMMWCKMEVDX-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCOCC(C)C)C1 ZINC000071107181 323856279 /nfs/dbraw/zinc/85/62/79/323856279.db2.gz HINHMMWCKMEVDX-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCOCC(C)C)C1 ZINC000071107184 388007901 /nfs/dbraw/zinc/00/79/01/388007901.db2.gz HINHMMWCKMEVDX-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000071107709 325055662 /nfs/dbraw/zinc/05/56/62/325055662.db2.gz CKOOJTQUOFQHSV-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000071107713 325055629 /nfs/dbraw/zinc/05/56/29/325055629.db2.gz CKOOJTQUOFQHSV-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000071107719 388007894 /nfs/dbraw/zinc/00/78/94/388007894.db2.gz CKOOJTQUOFQHSV-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000071107722 325055873 /nfs/dbraw/zinc/05/58/73/325055873.db2.gz CKOOJTQUOFQHSV-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000071108115 388007203 /nfs/dbraw/zinc/00/72/03/388007203.db2.gz BXJDCQWRDZAMJB-CJNGLKHVSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000071108118 323856271 /nfs/dbraw/zinc/85/62/71/323856271.db2.gz BXJDCQWRDZAMJB-BBRMVZONSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000071108122 388007641 /nfs/dbraw/zinc/00/76/41/388007641.db2.gz BXJDCQWRDZAMJB-CZUORRHYSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000071108127 388006742 /nfs/dbraw/zinc/00/67/42/388006742.db2.gz BXJDCQWRDZAMJB-XJKSGUPXSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000071111399 643101180 /nfs/dbraw/zinc/10/11/80/643101180.db2.gz QAZPGOJGWWMQOR-MJBXVCDLSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000071111407 643099949 /nfs/dbraw/zinc/09/99/49/643099949.db2.gz QAZPGOJGWWMQOR-BFHYXJOUSA-N 1 0 235.371 3.769 20 0 BHADRO c1ccc(C[N@@H+](CC2CCCCC2)C2CC2)nc1 ZINC000071114413 359071339 /nfs/dbraw/zinc/07/13/39/359071339.db2.gz CZXYALKZQSKREN-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000071117565 343960822 /nfs/dbraw/zinc/96/08/22/343960822.db2.gz HEYNGTMNBQBSNZ-KBMXLJTQSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000071117578 343613669 /nfs/dbraw/zinc/61/36/69/343613669.db2.gz HEYNGTMNBQBSNZ-VNQPRFMTSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000071117723 325056565 /nfs/dbraw/zinc/05/65/65/325056565.db2.gz QFJSIAVUFALDIU-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000071117729 343961205 /nfs/dbraw/zinc/96/12/05/343961205.db2.gz QFJSIAVUFALDIU-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000071117734 325056505 /nfs/dbraw/zinc/05/65/05/325056505.db2.gz QFJSIAVUFALDIU-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000071117740 325056649 /nfs/dbraw/zinc/05/66/49/325056649.db2.gz QFJSIAVUFALDIU-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000071120779 325056411 /nfs/dbraw/zinc/05/64/11/325056411.db2.gz PKIIBXZNDVSZAN-CABCVRRESA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000071120786 325056403 /nfs/dbraw/zinc/05/64/03/325056403.db2.gz PKIIBXZNDVSZAN-GJZGRUSLSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000071120790 323860848 /nfs/dbraw/zinc/86/08/48/323860848.db2.gz PKIIBXZNDVSZAN-HUUCEWRRSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000071120797 325056265 /nfs/dbraw/zinc/05/62/65/325056265.db2.gz PKIIBXZNDVSZAN-LSDHHAIUSA-N 1 0 247.382 3.624 20 0 BHADRO c1cncc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000071122168 325057317 /nfs/dbraw/zinc/05/73/17/325057317.db2.gz SKDHRKZLYYHSNW-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000071122223 325057178 /nfs/dbraw/zinc/05/71/78/325057178.db2.gz BSTNDFFTEKFUAP-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000071122228 325057032 /nfs/dbraw/zinc/05/70/32/325057032.db2.gz BSTNDFFTEKFUAP-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000071122232 325057487 /nfs/dbraw/zinc/05/74/87/325057487.db2.gz BSTNDFFTEKFUAP-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000071122240 325057297 /nfs/dbraw/zinc/05/72/97/325057297.db2.gz BSTNDFFTEKFUAP-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOCC(C)C ZINC000071159092 325058006 /nfs/dbraw/zinc/05/80/06/325058006.db2.gz JWCIPCDJXMOLBO-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCOCC(C)C ZINC000071159093 325058070 /nfs/dbraw/zinc/05/80/70/325058070.db2.gz JWCIPCDJXMOLBO-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCOCC(C)C ZINC000071159094 325057948 /nfs/dbraw/zinc/05/79/48/325057948.db2.gz JWCIPCDJXMOLBO-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCOCC(C)C ZINC000071159095 325057831 /nfs/dbraw/zinc/05/78/31/325057831.db2.gz JWCIPCDJXMOLBO-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170075 168299748 /nfs/dbraw/zinc/29/97/48/168299748.db2.gz ZKFJKEHSYKNJKW-UHFFFAOYSA-N 1 0 247.382 3.678 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170081 643103795 /nfs/dbraw/zinc/10/37/95/643103795.db2.gz OAIHGGXQMVFFFX-UHFFFAOYSA-N 1 0 247.382 3.678 20 0 BHADRO CCCCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170089 643102345 /nfs/dbraw/zinc/10/23/45/643102345.db2.gz XHPPSOPNVWXWFL-UHFFFAOYSA-N 1 0 247.382 3.680 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170091 643103484 /nfs/dbraw/zinc/10/34/84/643103484.db2.gz IODICHJNDBKGIF-GFCCVEGCSA-N 1 0 247.382 3.678 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170092 643103990 /nfs/dbraw/zinc/10/39/90/643103990.db2.gz IODICHJNDBKGIF-LBPRGKRZSA-N 1 0 247.382 3.678 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170100 643102835 /nfs/dbraw/zinc/10/28/35/643102835.db2.gz JAFVNOZYTGDNHU-UHFFFAOYSA-N 1 0 247.382 3.536 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170288 642452337 /nfs/dbraw/zinc/45/23/37/642452337.db2.gz OUPQFIOEMOZGHR-UHFFFAOYSA-N 1 0 247.382 3.536 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000071205494 388054012 /nfs/dbraw/zinc/05/40/12/388054012.db2.gz ZDMICYVEYSGGOI-WVWOOGAGSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1c(F)cccc1F ZINC000071205510 325061673 /nfs/dbraw/zinc/06/16/73/325061673.db2.gz FPMOSFOYYJRNIB-NRUUGDAUSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1c(F)cccc1F ZINC000071205511 325061311 /nfs/dbraw/zinc/06/13/11/325061311.db2.gz FPMOSFOYYJRNIB-KWBADKCTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1c(F)cccc1F ZINC000071205512 325061297 /nfs/dbraw/zinc/06/12/97/325061297.db2.gz FPMOSFOYYJRNIB-GBIKHYSHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1c(F)cccc1F ZINC000071205513 325061206 /nfs/dbraw/zinc/06/12/06/325061206.db2.gz FPMOSFOYYJRNIB-OUJBWJOFSA-N 1 0 239.309 3.804 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071205523 490258684 /nfs/dbraw/zinc/25/86/84/490258684.db2.gz PNNQYSRRXBRUGL-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071205525 490258580 /nfs/dbraw/zinc/25/85/80/490258580.db2.gz PNNQYSRRXBRUGL-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000071205530 176922533 /nfs/dbraw/zinc/92/25/33/176922533.db2.gz HJUPWWSETRYMIC-BFVZDQMLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000071205531 388886471 /nfs/dbraw/zinc/88/64/71/388886471.db2.gz HJUPWWSETRYMIC-BHDSKKPTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000071205532 388886923 /nfs/dbraw/zinc/88/69/23/388886923.db2.gz HJUPWWSETRYMIC-ISTVAULSSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000071205533 388886680 /nfs/dbraw/zinc/88/66/80/388886680.db2.gz HJUPWWSETRYMIC-PKFCDNJMSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1F ZINC000071205534 325061449 /nfs/dbraw/zinc/06/14/49/325061449.db2.gz DIUXGPNJUFFBIQ-BFVZDQMLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC000071205535 325061545 /nfs/dbraw/zinc/06/15/45/325061545.db2.gz DIUXGPNJUFFBIQ-BHDSKKPTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1F ZINC000071205536 325061209 /nfs/dbraw/zinc/06/12/09/325061209.db2.gz DIUXGPNJUFFBIQ-ISTVAULSSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC000071205537 325061246 /nfs/dbraw/zinc/06/12/46/325061246.db2.gz DIUXGPNJUFFBIQ-PKFCDNJMSA-N 1 0 239.309 3.804 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000071205543 325061195 /nfs/dbraw/zinc/06/11/95/325061195.db2.gz XOAJMRAMQSGXAA-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000071205545 325061406 /nfs/dbraw/zinc/06/14/06/325061406.db2.gz XOAJMRAMQSGXAA-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000071205558 359073524 /nfs/dbraw/zinc/07/35/24/359073524.db2.gz PNKHUHQGKHSNFK-VBNZEHGJSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000071205560 359073749 /nfs/dbraw/zinc/07/37/49/359073749.db2.gz PNKHUHQGKHSNFK-RCBQFDQVSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000071205615 175080823 /nfs/dbraw/zinc/08/08/23/175080823.db2.gz QOTHULQUQSSUKJ-KCQAQPDRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000071205617 175081166 /nfs/dbraw/zinc/08/11/66/175081166.db2.gz QOTHULQUQSSUKJ-YDHLFZDLSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000071205666 325061570 /nfs/dbraw/zinc/06/15/70/325061570.db2.gz SNHDWFGYNLZBHA-XUJVJEKNSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071205667 325061389 /nfs/dbraw/zinc/06/13/89/325061389.db2.gz SNHDWFGYNLZBHA-HUBLWGQQSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000071205668 325061467 /nfs/dbraw/zinc/06/14/67/325061467.db2.gz SNHDWFGYNLZBHA-TYNCELHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071205669 325061204 /nfs/dbraw/zinc/06/12/04/325061204.db2.gz SNHDWFGYNLZBHA-SLEUVZQESA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000071205678 175293643 /nfs/dbraw/zinc/29/36/43/175293643.db2.gz GGIVIMSDEVZLOW-XUJVJEKNSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071205679 175293396 /nfs/dbraw/zinc/29/33/96/175293396.db2.gz GGIVIMSDEVZLOW-HUBLWGQQSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000071205680 175293772 /nfs/dbraw/zinc/29/37/72/175293772.db2.gz GGIVIMSDEVZLOW-TYNCELHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071205681 175293041 /nfs/dbraw/zinc/29/30/41/175293041.db2.gz GGIVIMSDEVZLOW-SLEUVZQESA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000071205738 325060685 /nfs/dbraw/zinc/06/06/85/325060685.db2.gz CGKLUFSRQKLFCL-DYEKYZERSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000071205739 325060952 /nfs/dbraw/zinc/06/09/52/325060952.db2.gz CGKLUFSRQKLFCL-OBJOEFQTSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000071205740 325060692 /nfs/dbraw/zinc/06/06/92/325060692.db2.gz CGKLUFSRQKLFCL-MBNYWOFBSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000071205741 325060720 /nfs/dbraw/zinc/06/07/20/325060720.db2.gz CGKLUFSRQKLFCL-SGMGOOAPSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000071205786 359073995 /nfs/dbraw/zinc/07/39/95/359073995.db2.gz IVXKDYGFZGMHGP-UHOFOFEASA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000071205788 134930596 /nfs/dbraw/zinc/93/05/96/134930596.db2.gz IVXKDYGFZGMHGP-DAXOMENPSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000071205942 176131979 /nfs/dbraw/zinc/13/19/79/176131979.db2.gz SHJZGUUMUJYWDE-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000071205943 177126665 /nfs/dbraw/zinc/12/66/65/177126665.db2.gz SHJZGUUMUJYWDE-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000071205944 176150563 /nfs/dbraw/zinc/15/05/63/176150563.db2.gz SHJZGUUMUJYWDE-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000071205945 177142420 /nfs/dbraw/zinc/14/24/20/177142420.db2.gz SHJZGUUMUJYWDE-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000071205950 176132065 /nfs/dbraw/zinc/13/20/65/176132065.db2.gz ZLOYABMFAGFAJE-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000071205951 177126617 /nfs/dbraw/zinc/12/66/17/177126617.db2.gz ZLOYABMFAGFAJE-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000071205952 176150948 /nfs/dbraw/zinc/15/09/48/176150948.db2.gz ZLOYABMFAGFAJE-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000071205953 177142900 /nfs/dbraw/zinc/14/29/00/177142900.db2.gz ZLOYABMFAGFAJE-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071205974 325061237 /nfs/dbraw/zinc/06/12/37/325061237.db2.gz ZGOSDQDABFLJEA-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071205975 325061291 /nfs/dbraw/zinc/06/12/91/325061291.db2.gz ZGOSDQDABFLJEA-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000071205976 325061690 /nfs/dbraw/zinc/06/16/90/325061690.db2.gz ZGOSDQDABFLJEA-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000071205977 325061593 /nfs/dbraw/zinc/06/15/93/325061593.db2.gz ZGOSDQDABFLJEA-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000071206318 388062075 /nfs/dbraw/zinc/06/20/75/388062075.db2.gz CYWBYMQWQQUNMR-KKOFPSKJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000071206319 388063830 /nfs/dbraw/zinc/06/38/30/388063830.db2.gz CYWBYMQWQQUNMR-MFNGEMCRSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000071206320 323887316 /nfs/dbraw/zinc/88/73/16/323887316.db2.gz CYWBYMQWQQUNMR-TWRYWWQQSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000071206321 398187889 /nfs/dbraw/zinc/18/78/89/398187889.db2.gz CYWBYMQWQQUNMR-HOJRLLLISA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000071206322 176131247 /nfs/dbraw/zinc/13/12/47/176131247.db2.gz QRNHHOYAZDMLHA-SNBTVBLJSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000071206323 177126125 /nfs/dbraw/zinc/12/61/25/177126125.db2.gz QRNHHOYAZDMLHA-WIRQWFGLSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000071206324 176149464 /nfs/dbraw/zinc/14/94/64/176149464.db2.gz QRNHHOYAZDMLHA-MLVVQWTHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000071206325 177142160 /nfs/dbraw/zinc/14/21/60/177142160.db2.gz QRNHHOYAZDMLHA-SXSDBLRQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000071206362 176131327 /nfs/dbraw/zinc/13/13/27/176131327.db2.gz VIICCMFTQDHPNO-OCLKLICZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000071206363 177125993 /nfs/dbraw/zinc/12/59/93/177125993.db2.gz VIICCMFTQDHPNO-ITDKRANNSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000071206364 176149448 /nfs/dbraw/zinc/14/94/48/176149448.db2.gz VIICCMFTQDHPNO-NEQJSVFRSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000071206365 177142017 /nfs/dbraw/zinc/14/20/17/177142017.db2.gz VIICCMFTQDHPNO-PIISCBOPSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000071206438 323890182 /nfs/dbraw/zinc/89/01/82/323890182.db2.gz ZJGXRRZUAFAKIO-CJNGLKHVSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071206439 388074831 /nfs/dbraw/zinc/07/48/31/388074831.db2.gz ZJGXRRZUAFAKIO-BBRMVZONSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000071206440 388076592 /nfs/dbraw/zinc/07/65/92/388076592.db2.gz ZJGXRRZUAFAKIO-CZUORRHYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071206441 323890575 /nfs/dbraw/zinc/89/05/75/323890575.db2.gz ZJGXRRZUAFAKIO-XJKSGUPXSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000071206442 388076900 /nfs/dbraw/zinc/07/69/00/388076900.db2.gz PFOWWNKLGVUPFW-HIFRSBDPSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000071206443 323890647 /nfs/dbraw/zinc/89/06/47/323890647.db2.gz PFOWWNKLGVUPFW-ZFWWWQNUSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000071206444 323891185 /nfs/dbraw/zinc/89/11/85/323891185.db2.gz PFOWWNKLGVUPFW-UKRRQHHQSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071206445 388076531 /nfs/dbraw/zinc/07/65/31/388076531.db2.gz PFOWWNKLGVUPFW-DZGCQCFKSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1OC ZINC000071206462 643107267 /nfs/dbraw/zinc/10/72/67/643107267.db2.gz JEYMZXGYCRKUTB-AEGPPILISA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1OC ZINC000071206464 643105890 /nfs/dbraw/zinc/10/58/90/643105890.db2.gz JEYMZXGYCRKUTB-QEJZJMRPSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C)cc1C ZINC000071206598 388069595 /nfs/dbraw/zinc/06/95/95/388069595.db2.gz MVHWLFXERNJQKI-MEDUHNTESA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C)cc1C ZINC000071206599 323888478 /nfs/dbraw/zinc/88/84/78/323888478.db2.gz MVHWLFXERNJQKI-ZBEGNZNMSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C)cc1C ZINC000071206600 388070755 /nfs/dbraw/zinc/07/07/55/388070755.db2.gz MVHWLFXERNJQKI-BDJLRTHQSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C)cc1C ZINC000071206601 323888753 /nfs/dbraw/zinc/88/87/53/323888753.db2.gz MVHWLFXERNJQKI-BZNIZROVSA-N 1 0 231.383 3.890 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000071206639 174970872 /nfs/dbraw/zinc/97/08/72/174970872.db2.gz SHONMNLMONDAPB-KCQAQPDRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000071206641 388072724 /nfs/dbraw/zinc/07/27/24/388072724.db2.gz SHONMNLMONDAPB-YDHLFZDLSA-N 1 0 247.382 3.843 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000071206758 490259172 /nfs/dbraw/zinc/25/91/72/490259172.db2.gz AYKSLDPVTWNFNB-BYCMXARLSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000071206760 490258983 /nfs/dbraw/zinc/25/89/83/490258983.db2.gz AYKSLDPVTWNFNB-KCPJHIHWSA-N 1 0 247.407 3.753 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071206954 325061421 /nfs/dbraw/zinc/06/14/21/325061421.db2.gz JCDFAEHHGHJRFL-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071206955 325061471 /nfs/dbraw/zinc/06/14/71/325061471.db2.gz JCDFAEHHGHJRFL-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000071206956 325061477 /nfs/dbraw/zinc/06/14/77/325061477.db2.gz JCDFAEHHGHJRFL-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000071206957 325061427 /nfs/dbraw/zinc/06/14/27/325061427.db2.gz JCDFAEHHGHJRFL-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000071206974 325061766 /nfs/dbraw/zinc/06/17/66/325061766.db2.gz NZGYTIOENSRBHM-CJNGLKHVSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071206975 325061222 /nfs/dbraw/zinc/06/12/22/325061222.db2.gz NZGYTIOENSRBHM-BBRMVZONSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000071206976 323888696 /nfs/dbraw/zinc/88/86/96/323888696.db2.gz NZGYTIOENSRBHM-CZUORRHYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071206977 388072175 /nfs/dbraw/zinc/07/21/75/388072175.db2.gz NZGYTIOENSRBHM-XJKSGUPXSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000071206982 388072155 /nfs/dbraw/zinc/07/21/55/388072155.db2.gz JAKFZRIAWVJGDE-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000071206984 323889723 /nfs/dbraw/zinc/88/97/23/323889723.db2.gz JAKFZRIAWVJGDE-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000071207022 323890049 /nfs/dbraw/zinc/89/00/49/323890049.db2.gz OCBVMCHHGUJLCM-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000071207023 323889629 /nfs/dbraw/zinc/88/96/29/323889629.db2.gz OCBVMCHHGUJLCM-YCPHGPKFSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000071207024 323889726 /nfs/dbraw/zinc/88/97/26/323889726.db2.gz OCBVMCHHGUJLCM-IIAWOOMASA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000071207025 388074248 /nfs/dbraw/zinc/07/42/48/388074248.db2.gz OCBVMCHHGUJLCM-IJEWVQPXSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000071207116 176131798 /nfs/dbraw/zinc/13/17/98/176131798.db2.gz SNXQSALTHDSYFI-MNOVXSKESA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000071207117 177126831 /nfs/dbraw/zinc/12/68/31/177126831.db2.gz SNXQSALTHDSYFI-QWRGUYRKSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000071207118 176150493 /nfs/dbraw/zinc/15/04/93/176150493.db2.gz SNXQSALTHDSYFI-GHMZBOCLSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000071207119 177142992 /nfs/dbraw/zinc/14/29/92/177142992.db2.gz SNXQSALTHDSYFI-WDEREUQCSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000071208020 325061524 /nfs/dbraw/zinc/06/15/24/325061524.db2.gz DTOHFNHCFKOIDB-YPMHNXCESA-N 1 0 226.323 3.835 20 0 BHADRO C[C@H]1CCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000071208021 325061380 /nfs/dbraw/zinc/06/13/80/325061380.db2.gz DTOHFNHCFKOIDB-AAEUAGOBSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@@H]1CCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000071208022 325061795 /nfs/dbraw/zinc/06/17/95/325061795.db2.gz DTOHFNHCFKOIDB-DGCLKSJQSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@H]1CCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000071208023 325061190 /nfs/dbraw/zinc/06/11/90/325061190.db2.gz DTOHFNHCFKOIDB-WCQYABFASA-N 1 0 226.323 3.835 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)c1ccccc1C ZINC000071212431 179321909 /nfs/dbraw/zinc/32/19/09/179321909.db2.gz OJHFCXGYXQCRAW-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)c1ccccc1C ZINC000071212432 179339583 /nfs/dbraw/zinc/33/95/83/179339583.db2.gz OJHFCXGYXQCRAW-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000071212444 384154179 /nfs/dbraw/zinc/15/41/79/384154179.db2.gz DGHBTNYIMWZXOU-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000071212445 384154805 /nfs/dbraw/zinc/15/48/05/384154805.db2.gz DGHBTNYIMWZXOU-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@H]([NH2+]Cc1scnc1C)c1ccccc1 ZINC000071212501 384154319 /nfs/dbraw/zinc/15/43/19/384154319.db2.gz DYZOZWYVHCAOMX-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1scnc1C)c1ccccc1 ZINC000071212502 170906075 /nfs/dbraw/zinc/90/60/75/170906075.db2.gz DYZOZWYVHCAOMX-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000071212874 359074165 /nfs/dbraw/zinc/07/41/65/359074165.db2.gz XOVMOHHKTGEEPK-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000071212875 359073373 /nfs/dbraw/zinc/07/33/73/359073373.db2.gz XOVMOHHKTGEEPK-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)Oc1ccc(-c2csc(C[NH3+])c2)cc1 ZINC000071323816 643131105 /nfs/dbraw/zinc/13/11/05/643131105.db2.gz NFYDUJTUVJMFLU-UHFFFAOYSA-N 1 0 247.363 3.661 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000071338921 388112293 /nfs/dbraw/zinc/11/22/93/388112293.db2.gz WSIKBUWSKLFVKJ-GXTWGEPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000071338922 323918316 /nfs/dbraw/zinc/91/83/16/323918316.db2.gz WSIKBUWSKLFVKJ-JSGCOSHPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000071338923 388112422 /nfs/dbraw/zinc/11/24/22/388112422.db2.gz WSIKBUWSKLFVKJ-TZMCWYRMSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000071338924 388112443 /nfs/dbraw/zinc/11/24/43/388112443.db2.gz WSIKBUWSKLFVKJ-OCCSQVGLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)c1ccccc1C ZINC000071339351 179321536 /nfs/dbraw/zinc/32/15/36/179321536.db2.gz ZWYZSPHBYJEOLQ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2C)cc1 ZINC000071339368 398147333 /nfs/dbraw/zinc/14/73/33/398147333.db2.gz IDRUVQZKUUUDGQ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2C)cc1 ZINC000071339369 398146979 /nfs/dbraw/zinc/14/69/79/398146979.db2.gz IDRUVQZKUUUDGQ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@H]([NH2+]Cc1ncccc1C)c1ccccc1 ZINC000071339435 398147260 /nfs/dbraw/zinc/14/72/60/398147260.db2.gz IANVIQRKRJXXIT-HNNXBMFYSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncccc1C)c1ccccc1 ZINC000071339436 398147155 /nfs/dbraw/zinc/14/71/55/398147155.db2.gz IANVIQRKRJXXIT-OAHLLOKOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ncccc1C)c1cccs1 ZINC000071339555 387121433 /nfs/dbraw/zinc/12/14/33/387121433.db2.gz UOALXQXHFWLKIA-LBPRGKRZSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncccc1C)c1cccs1 ZINC000071339556 359077060 /nfs/dbraw/zinc/07/70/60/359077060.db2.gz UOALXQXHFWLKIA-GFCCVEGCSA-N 1 0 246.379 3.692 20 0 BHADRO CCCC1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000071339578 325069309 /nfs/dbraw/zinc/06/93/09/325069309.db2.gz KWIMGLSEYYAMMD-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cccnc1CNc1cc[nH+]c2ccccc12 ZINC000071344295 343348725 /nfs/dbraw/zinc/34/87/25/343348725.db2.gz PVYIXJJBBLCAEB-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO CCCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000071443942 643683646 /nfs/dbraw/zinc/68/36/46/643683646.db2.gz KPEQRHKJJJVSTI-UHFFFAOYSA-N 1 0 219.372 3.742 20 0 BHADRO CCCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000071443946 643145733 /nfs/dbraw/zinc/14/57/33/643145733.db2.gz DAHFPQIILLIOHS-UHFFFAOYSA-N 1 0 233.399 3.916 20 0 BHADRO CCCC[NH2+]CCc1c(C)cc(C)cc1C ZINC000071443969 643146358 /nfs/dbraw/zinc/14/63/58/643146358.db2.gz PLQPNYNKRGDFQQ-UHFFFAOYSA-N 1 0 219.372 3.544 20 0 BHADRO Cc1cc(CC[NH2+]C2CCCC2)ccc1Cl ZINC000071444103 325075123 /nfs/dbraw/zinc/07/51/23/325075123.db2.gz CMBSQSWVKQSMRD-UHFFFAOYSA-N 1 0 237.774 3.723 20 0 BHADRO CC(C)Oc1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000071444105 643145131 /nfs/dbraw/zinc/14/51/31/643145131.db2.gz WWQMHFGZNHZUBD-UHFFFAOYSA-N 1 0 247.382 3.549 20 0 BHADRO CC(C)[NH2+][C@H](C)Cc1ccc(C(C)C)cc1 ZINC000071444667 167138823 /nfs/dbraw/zinc/13/88/23/167138823.db2.gz DFCFDLLCZAQYDA-CYBMUJFWSA-N 1 0 219.372 3.739 20 0 BHADRO CC(C)[NH2+][C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000071444668 167133268 /nfs/dbraw/zinc/13/32/68/167133268.db2.gz DFCFDLLCZAQYDA-ZDUSSCGKSA-N 1 0 219.372 3.739 20 0 BHADRO CC(C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000071444671 167132810 /nfs/dbraw/zinc/13/28/10/167132810.db2.gz CZXISRAOHZQFRL-VIFPVBQESA-N 1 0 246.181 3.922 20 0 BHADRO CC(C)[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC000071444672 167138092 /nfs/dbraw/zinc/13/80/92/167138092.db2.gz CZXISRAOHZQFRL-SECBINFHSA-N 1 0 246.181 3.922 20 0 BHADRO Fc1cccc(-c2cccc([C@@H]3CC[NH2+]C3)c2)c1 ZINC000071550668 388098105 /nfs/dbraw/zinc/09/81/05/388098105.db2.gz ZZUBYJRVHFIODG-OAHLLOKOSA-N 1 0 241.309 3.570 20 0 BHADRO Fc1cccc(-c2cccc([C@H]3CC[NH2+]C3)c2)c1 ZINC000071550669 388098653 /nfs/dbraw/zinc/09/86/53/388098653.db2.gz ZZUBYJRVHFIODG-HNNXBMFYSA-N 1 0 241.309 3.570 20 0 BHADRO Fc1ccc(-c2cccc([C@@H]3CC[NH2+]C3)c2)cc1 ZINC000071550672 180957296 /nfs/dbraw/zinc/95/72/96/180957296.db2.gz ZTDRCQRWRMNRKE-OAHLLOKOSA-N 1 0 241.309 3.570 20 0 BHADRO Fc1ccc(-c2cccc([C@H]3CC[NH2+]C3)c2)cc1 ZINC000071550673 388098615 /nfs/dbraw/zinc/09/86/15/388098615.db2.gz ZTDRCQRWRMNRKE-HNNXBMFYSA-N 1 0 241.309 3.570 20 0 BHADRO CC(C)(C)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000071562332 343711348 /nfs/dbraw/zinc/71/13/48/343711348.db2.gz MYRJBOLIKKSNLN-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO CCC[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000071562688 169265242 /nfs/dbraw/zinc/26/52/42/169265242.db2.gz ZRXRADNRXHKCQW-UHFFFAOYSA-N 1 0 248.153 3.502 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000071809261 490316834 /nfs/dbraw/zinc/31/68/34/490316834.db2.gz DWFRJMUUSGUTFM-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCCC[N@H+](CC)CCCOc1ccccc1 ZINC000071809262 490316870 /nfs/dbraw/zinc/31/68/70/490316870.db2.gz KKQAHEGRNKXHCJ-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc(C)c1 ZINC000071809273 388900453 /nfs/dbraw/zinc/90/04/53/388900453.db2.gz CALVRQDFFQIDOX-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CCC[N@H+](CCCOc1ccccc1)CC1CC1 ZINC000071809296 490316969 /nfs/dbraw/zinc/31/69/69/490316969.db2.gz PSFMSZRHIPZLJC-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO C[N@H+](CCOc1ccccc1)C1CCCCCC1 ZINC000071815602 388899666 /nfs/dbraw/zinc/89/96/66/388899666.db2.gz VIRDIFMWUCFZHA-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO C[N@H+](Cc1ccccc1F)C1CCCCCC1 ZINC000071815603 582691808 /nfs/dbraw/zinc/69/18/08/582691808.db2.gz WSEJVMZCIPWIHB-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CC(C)CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000071816560 491126041 /nfs/dbraw/zinc/12/60/41/491126041.db2.gz NTKQMNYTLPKFTC-UHFFFAOYSA-N 1 0 245.366 3.527 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1Cl ZINC000071836697 388901126 /nfs/dbraw/zinc/90/11/26/388901126.db2.gz YHOLZFVUGSQXCS-JTQLQIEISA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccccc1Cl ZINC000071836700 388900821 /nfs/dbraw/zinc/90/08/21/388900821.db2.gz YHOLZFVUGSQXCS-SNVBAGLBSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1c(F)cccc1Cl ZINC000071836701 388901494 /nfs/dbraw/zinc/90/14/94/388901494.db2.gz SQZFZPCBLKFRDP-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1c(F)cccc1Cl ZINC000071836703 387135259 /nfs/dbraw/zinc/13/52/59/387135259.db2.gz SQZFZPCBLKFRDP-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO CCC[N@@H+](Cc1cccc(F)c1F)CC1CC1 ZINC000071854573 169175747 /nfs/dbraw/zinc/17/57/47/169175747.db2.gz LOLRDUUAHCBATD-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCc1ccc(C[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC000071951830 711901090 /nfs/dbraw/zinc/90/10/90/711901090.db2.gz KIJOILGVOGKSGV-XCVCLJGOSA-N 1 0 249.785 3.966 20 0 BHADRO CC(C)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953316 344466368 /nfs/dbraw/zinc/46/63/68/344466368.db2.gz NHGCZYYCDGVLIF-UHFFFAOYSA-N 1 0 249.373 3.736 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1OC(C)C ZINC000071987373 325107733 /nfs/dbraw/zinc/10/77/33/325107733.db2.gz SDPZMLUMLXIFCI-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO c1csc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000072202444 343071707 /nfs/dbraw/zinc/07/17/07/343071707.db2.gz SNMGQVIMNQDJGY-ZDUSSCGKSA-N 1 0 229.348 3.840 20 0 BHADRO c1csc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000072202445 343071567 /nfs/dbraw/zinc/07/15/67/343071567.db2.gz SNMGQVIMNQDJGY-CYBMUJFWSA-N 1 0 229.348 3.840 20 0 BHADRO C[NH+](C)CCSCc1ccc2ccccc2c1 ZINC000072261844 351173962 /nfs/dbraw/zinc/17/39/62/351173962.db2.gz POZPLUWBEMIFLD-UHFFFAOYSA-N 1 0 245.391 3.635 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000072557631 384225445 /nfs/dbraw/zinc/22/54/45/384225445.db2.gz ZIVSALABSWBYSN-LBPRGKRZSA-N 1 0 244.338 3.744 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000072557632 384225600 /nfs/dbraw/zinc/22/56/00/384225600.db2.gz ZIVSALABSWBYSN-GFCCVEGCSA-N 1 0 244.338 3.744 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072601450 325159426 /nfs/dbraw/zinc/15/94/26/325159426.db2.gz MFPAOIPGKHTZQG-GFCCVEGCSA-N 1 0 244.338 3.572 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000072601454 325158849 /nfs/dbraw/zinc/15/88/49/325158849.db2.gz MFPAOIPGKHTZQG-LBPRGKRZSA-N 1 0 244.338 3.572 20 0 BHADRO CC(C)[N@H+](Cc1cccc(N(C)C)c1)C1CCC1 ZINC000072685642 369485366 /nfs/dbraw/zinc/48/53/66/369485366.db2.gz MRTQLHKJIZJFOB-UHFFFAOYSA-N 1 0 246.398 3.516 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(C2)CCCCCC3)on1 ZINC000072801094 364210831 /nfs/dbraw/zinc/21/08/31/364210831.db2.gz CIOMWBQPYAWZEC-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000072802298 359090661 /nfs/dbraw/zinc/09/06/61/359090661.db2.gz CPNUUPIPIASRML-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)o1 ZINC000072802300 359091256 /nfs/dbraw/zinc/09/12/56/359091256.db2.gz CPNUUPIPIASRML-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO CC1(C)CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072827867 359091047 /nfs/dbraw/zinc/09/10/47/359091047.db2.gz QKSXEBQBPZEXFN-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000072895590 490412646 /nfs/dbraw/zinc/41/26/46/490412646.db2.gz YOEWPAWIVUATIR-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000072895593 490412707 /nfs/dbraw/zinc/41/27/07/490412707.db2.gz YOEWPAWIVUATIR-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1nc(C[NH+](CC(C)C)CC(C)C)cs1 ZINC000072937838 324065949 /nfs/dbraw/zinc/06/59/49/324065949.db2.gz WAWPACWOLIJICS-UHFFFAOYSA-N 1 0 240.416 3.566 20 0 BHADRO CC[N@H+](Cc1csc(C)n1)C1CCCCC1 ZINC000072948530 359092293 /nfs/dbraw/zinc/09/22/93/359092293.db2.gz OISPQEORINCVHZ-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C1CCCCC1 ZINC000072948559 325183063 /nfs/dbraw/zinc/18/30/63/325183063.db2.gz ZLZSVKVDDOBLBS-UHFFFAOYSA-N 1 0 223.282 3.593 20 0 BHADRO CC(C)[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000072949412 490413933 /nfs/dbraw/zinc/41/39/33/490413933.db2.gz AIQOJIYYANUJEE-UHFFFAOYSA-N 1 0 245.288 3.849 20 0 BHADRO CCc1ccc(C[N@H+](C)CCC(F)(F)F)cc1 ZINC000072952992 364218620 /nfs/dbraw/zinc/21/86/20/364218620.db2.gz AMAXIMWYYUKLOG-UHFFFAOYSA-N 1 0 245.288 3.633 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000072973093 411791811 /nfs/dbraw/zinc/79/18/11/411791811.db2.gz ADMUHIXKBAIDBM-QWRGUYRKSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000072978748 351838913 /nfs/dbraw/zinc/83/89/13/351838913.db2.gz LLWCXGKRALJBKE-VIFPVBQESA-N 1 0 249.301 3.837 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000072978750 351839010 /nfs/dbraw/zinc/83/90/10/351839010.db2.gz LLWCXGKRALJBKE-SECBINFHSA-N 1 0 249.301 3.837 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1cccs1 ZINC000072979297 368789156 /nfs/dbraw/zinc/78/91/56/368789156.db2.gz LEFAXBUKHFCKEP-UHFFFAOYSA-N 1 0 237.290 3.522 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1CCC(F)(F)F ZINC000072987712 368788694 /nfs/dbraw/zinc/78/86/94/368788694.db2.gz VOFWOVCTWJOOIZ-MRVPVSSYSA-N 1 0 249.301 3.620 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1CCC(F)(F)F ZINC000072987713 368788257 /nfs/dbraw/zinc/78/82/57/368788257.db2.gz VOFWOVCTWJOOIZ-QMMMGPOBSA-N 1 0 249.301 3.620 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000073052840 384653485 /nfs/dbraw/zinc/65/34/85/384653485.db2.gz JNPLXRDBBMEGQP-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1nc(C[N@@H+](C)C2CCCCCC2)cs1 ZINC000073182010 359098170 /nfs/dbraw/zinc/09/81/70/359098170.db2.gz QBCUNODIPZVSAL-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CC(C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073298003 345042808 /nfs/dbraw/zinc/04/28/08/345042808.db2.gz NLBFBSXRYRZYEL-UHFFFAOYSA-N 1 0 242.366 3.756 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C/C=C/Cl ZINC000073432349 643218498 /nfs/dbraw/zinc/21/84/98/643218498.db2.gz GLNJOWYBEFGUOL-SWTNXBIASA-N 1 0 245.700 3.710 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1OC(F)F ZINC000073602888 325205507 /nfs/dbraw/zinc/20/55/07/325205507.db2.gz UYIWUBSWZFVRBV-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO Clc1ccc(C[NH2+]C2CCCCCC2)cn1 ZINC000073625423 711932134 /nfs/dbraw/zinc/93/21/34/711932134.db2.gz LVLXIRKENMALBV-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000073649802 384766166 /nfs/dbraw/zinc/76/61/66/384766166.db2.gz FWUBWHDPFDYXCH-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000073651224 643772563 /nfs/dbraw/zinc/77/25/63/643772563.db2.gz ITORDQDNNFNQDK-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000073651225 174626430 /nfs/dbraw/zinc/62/64/30/174626430.db2.gz ITORDQDNNFNQDK-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000073651228 643771925 /nfs/dbraw/zinc/77/19/25/643771925.db2.gz ITORDQDNNFNQDK-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000073651229 643772645 /nfs/dbraw/zinc/77/26/45/643772645.db2.gz ITORDQDNNFNQDK-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000073779518 368816091 /nfs/dbraw/zinc/81/60/91/368816091.db2.gz WAEQAWUWBICWOK-QMMMGPOBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000073779520 387398387 /nfs/dbraw/zinc/39/83/87/387398387.db2.gz WAEQAWUWBICWOK-MRVPVSSYSA-N 1 0 229.776 3.632 20 0 BHADRO CC[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000073893362 325216268 /nfs/dbraw/zinc/21/62/68/325216268.db2.gz RPUSAECQLSLARE-OAHLLOKOSA-N 1 0 233.355 3.632 20 0 BHADRO CC[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000073893363 325215974 /nfs/dbraw/zinc/21/59/74/325215974.db2.gz RPUSAECQLSLARE-HNNXBMFYSA-N 1 0 233.355 3.632 20 0 BHADRO CC(C)[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000074237416 487997292 /nfs/dbraw/zinc/99/72/92/487997292.db2.gz NABFIECCQCYGIC-UHFFFAOYSA-N 1 0 246.379 3.669 20 0 BHADRO C[C@@H]([NH2+]Cc1nc2ccccc2s1)C(C)(C)C ZINC000074318567 325241063 /nfs/dbraw/zinc/24/10/63/325241063.db2.gz GSYDCBPMCWKYHW-SNVBAGLBSA-N 1 0 248.395 3.821 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc2cccnc21 ZINC000074320111 368837431 /nfs/dbraw/zinc/83/74/31/368837431.db2.gz VRHLJKPBSSKNLP-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000074320993 368837798 /nfs/dbraw/zinc/83/77/98/368837798.db2.gz KRLYWRZJPRMWLJ-UHFFFAOYSA-N 1 0 248.395 3.917 20 0 BHADRO CCCC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000074327797 325241638 /nfs/dbraw/zinc/24/16/38/325241638.db2.gz IILJUVFTOHKCRO-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO C[N@H+](CCSc1ccccc1)Cc1ccco1 ZINC000074328654 135390378 /nfs/dbraw/zinc/39/03/78/135390378.db2.gz YLLWDDCCCWWNPH-UHFFFAOYSA-N 1 0 247.363 3.504 20 0 BHADRO COCCCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000074331753 325241458 /nfs/dbraw/zinc/24/14/58/325241458.db2.gz ODRGKLVMKGAJBL-UHFFFAOYSA-N 1 0 249.398 3.668 20 0 BHADRO COCCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000074348275 368840078 /nfs/dbraw/zinc/84/00/78/368840078.db2.gz YMUXHVDZKABHLB-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO COCCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000074348279 368840660 /nfs/dbraw/zinc/84/06/60/368840660.db2.gz YMUXHVDZKABHLB-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO COCCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000074350889 174191522 /nfs/dbraw/zinc/19/15/22/174191522.db2.gz RXYPAHUEMOTOBK-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO COCCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000074350891 174192044 /nfs/dbraw/zinc/19/20/44/174192044.db2.gz RXYPAHUEMOTOBK-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO COCCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000074351370 174191335 /nfs/dbraw/zinc/19/13/35/174191335.db2.gz XYPZUYORAJMQEC-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO COCCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000074351374 174191754 /nfs/dbraw/zinc/19/17/54/174191754.db2.gz XYPZUYORAJMQEC-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO CCCCNc1[nH+]c(C)cc2ccccc21 ZINC000074402696 368842829 /nfs/dbraw/zinc/84/28/29/368842829.db2.gz YORYFNDZXPJZHH-UHFFFAOYSA-N 1 0 214.312 3.755 20 0 BHADRO Clc1ccc2c(c1)C[N@H+](C1CCCC1)CC2 ZINC000074448534 325246412 /nfs/dbraw/zinc/24/64/12/325246412.db2.gz UDLAGLBTIWPSTM-UHFFFAOYSA-N 1 0 235.758 3.641 20 0 BHADRO Clc1cccc2c1CC[N@@H+](C1CCCC1)C2 ZINC000074448617 325246614 /nfs/dbraw/zinc/24/66/14/325246614.db2.gz CYQXJUCDAXDPDI-UHFFFAOYSA-N 1 0 235.758 3.641 20 0 BHADRO Clc1ccc2c(c1)CC[N@H+](C1CCCC1)C2 ZINC000074448691 490489099 /nfs/dbraw/zinc/48/90/99/490489099.db2.gz CRBLCIBOMUVLKA-UHFFFAOYSA-N 1 0 235.758 3.641 20 0 BHADRO C[C@@H]1C[N@@H+](C2CCCC2)Cc2ccccc21 ZINC000074450570 640810901 /nfs/dbraw/zinc/81/09/01/640810901.db2.gz LNWAZBHDODPAKT-GFCCVEGCSA-N 1 0 215.340 3.548 20 0 BHADRO C[C@H]1C[N@@H+](C2CCCC2)Cc2ccccc21 ZINC000074450573 640811278 /nfs/dbraw/zinc/81/12/78/640811278.db2.gz LNWAZBHDODPAKT-LBPRGKRZSA-N 1 0 215.340 3.548 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000074995091 344010329 /nfs/dbraw/zinc/01/03/29/344010329.db2.gz OJGXLXCFGCDBQL-KBPBESRZSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000074995094 344767194 /nfs/dbraw/zinc/76/71/94/344767194.db2.gz OJGXLXCFGCDBQL-UONOGXRCSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000074995540 370066632 /nfs/dbraw/zinc/06/66/32/370066632.db2.gz RNPLNWFYVFPCMN-KBPBESRZSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000074995542 370066781 /nfs/dbraw/zinc/06/67/81/370066781.db2.gz RNPLNWFYVFPCMN-UONOGXRCSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc2ccccc2o1 ZINC000075020938 359139043 /nfs/dbraw/zinc/13/90/43/359139043.db2.gz PQIXWBVBXMRQQX-TXEJJXNPSA-N 1 0 244.338 3.591 20 0 BHADRO Cc1nc(C)c(C[N@H+]2[C@H](C)CCC[C@@H]2C)s1 ZINC000075021098 344761098 /nfs/dbraw/zinc/76/10/98/344761098.db2.gz LGIJECDXDWITNE-AOOOYVTPSA-N 1 0 238.400 3.523 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1cccs1 ZINC000075021131 631248569 /nfs/dbraw/zinc/24/85/69/631248569.db2.gz SBSBWYXBYMDBDB-TXEJJXNPSA-N 1 0 223.385 3.554 20 0 BHADRO CC(C)c1cnc(C[N@H+]2[C@H](C)CCC[C@@H]2C)o1 ZINC000075021196 643246299 /nfs/dbraw/zinc/24/62/99/643246299.db2.gz IDYCBQYFYCGKFK-TXEJJXNPSA-N 1 0 236.359 3.561 20 0 BHADRO Cc1ccccc1CC[NH2+]C1CCC(C)CC1 ZINC000075168176 363488484 /nfs/dbraw/zinc/48/84/84/363488484.db2.gz HGQCCLXZHGXLAE-UHFFFAOYSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCC(C)CC2)cc1 ZINC000075168177 344767908 /nfs/dbraw/zinc/76/79/08/344767908.db2.gz QFTIZTUISOJJEU-UHFFFAOYSA-N 1 0 231.383 3.706 20 0 BHADRO CC1(C)CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000075173106 322860521 /nfs/dbraw/zinc/86/05/21/322860521.db2.gz ZEKAYFWSSNUPKI-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CCC(CC)[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000075184567 322860551 /nfs/dbraw/zinc/86/05/51/322860551.db2.gz IIUGXHCKNFUSDN-UHFFFAOYSA-N 1 0 244.382 3.797 20 0 BHADRO COc1ccccc1C[NH2+]C1CCC(C)(C)CC1 ZINC000075187646 322860477 /nfs/dbraw/zinc/86/04/77/322860477.db2.gz UMOBLNWSHKZSLY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000075187649 322860549 /nfs/dbraw/zinc/86/05/49/322860549.db2.gz KHTGNHDONKNSTM-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cc(C)ccc1C[NH2+]C1CCC(C)CC1 ZINC000075187716 363544248 /nfs/dbraw/zinc/54/42/48/363544248.db2.gz VCZUTFQMPJAXMW-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CC1(C)CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000075190923 322860524 /nfs/dbraw/zinc/86/05/24/322860524.db2.gz DOCNBEQVLKWWIR-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO CC1(C)CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000075190924 322860609 /nfs/dbraw/zinc/86/06/09/322860609.db2.gz DCBSBEBKVSPUMP-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO Clc1cccc(C[NH+]2CCCCCCC2)n1 ZINC000075590062 643473952 /nfs/dbraw/zinc/47/39/52/643473952.db2.gz HXKLMZVERKZCBZ-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO Clc1cnccc1C[NH+]1CCCCCCC1 ZINC000075590063 641762606 /nfs/dbraw/zinc/76/26/06/641762606.db2.gz FBQKYXFTPFDDSW-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO CSCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000075621263 325304525 /nfs/dbraw/zinc/30/45/25/325304525.db2.gz FIGQXHFNXYVVDT-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO CCCCC[N@H+](Cc1ncc(CC)o1)C(C)C ZINC000075623929 342891404 /nfs/dbraw/zinc/89/14/04/342891404.db2.gz KOFNSMUBXKYUBS-UHFFFAOYSA-N 1 0 238.375 3.638 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H](C)c1ccncc1 ZINC000075625957 490147628 /nfs/dbraw/zinc/14/76/28/490147628.db2.gz SVWDRXDUBXSADX-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H](C)c1ccncc1 ZINC000075625960 490148055 /nfs/dbraw/zinc/14/80/55/490148055.db2.gz SVWDRXDUBXSADX-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000075626354 384332849 /nfs/dbraw/zinc/33/28/49/384332849.db2.gz LYCTTZYRMNNJLG-GFCCVEGCSA-N 1 0 241.425 3.638 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000075626356 344781153 /nfs/dbraw/zinc/78/11/53/344781153.db2.gz LYCTTZYRMNNJLG-LBPRGKRZSA-N 1 0 241.425 3.638 20 0 BHADRO CSCCC[N@H+](C1CC1)C1CCCCC1 ZINC000075637396 370152272 /nfs/dbraw/zinc/15/22/72/370152272.db2.gz PGYAMBOQBZXYJK-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CCc1cnc(C[N@H+](C2CC2)C2CCCCC2)o1 ZINC000075637409 370152221 /nfs/dbraw/zinc/15/22/21/370152221.db2.gz GHKYMDCQFORXPK-UHFFFAOYSA-N 1 0 248.370 3.534 20 0 BHADRO Cc1cnc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)o1 ZINC000075641800 359187068 /nfs/dbraw/zinc/18/70/68/359187068.db2.gz JZNGLTLOPFYBPK-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@@H+]2CCC[C@H]2C2CCCCC2)o1 ZINC000075641802 359187025 /nfs/dbraw/zinc/18/70/25/359187025.db2.gz JZNGLTLOPFYBPK-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@H+](CC2CCCCC2)C2CC2)o1 ZINC000075643185 325304901 /nfs/dbraw/zinc/30/49/01/325304901.db2.gz OWEKPSLVPYXYSH-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO CCOC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000075645196 491077941 /nfs/dbraw/zinc/07/79/41/491077941.db2.gz OCYOWGXDXAACEX-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO CCOC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000075645199 491077934 /nfs/dbraw/zinc/07/79/34/491077934.db2.gz OCYOWGXDXAACEX-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000075675469 325306143 /nfs/dbraw/zinc/30/61/43/325306143.db2.gz UPUGAWYVGMUNMT-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cnc(C[N@@H+](C)C2CCCCCCC2)o1 ZINC000075677302 640842304 /nfs/dbraw/zinc/84/23/04/640842304.db2.gz LSKYPNCGFBYQAT-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO CSCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000075680160 344784619 /nfs/dbraw/zinc/78/46/19/344784619.db2.gz CYOBJBKNINNTHA-CQSZACIVSA-N 1 0 249.423 3.537 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000075680164 344784304 /nfs/dbraw/zinc/78/43/04/344784304.db2.gz CYOBJBKNINNTHA-AWEZNQCLSA-N 1 0 249.423 3.537 20 0 BHADRO 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CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000075813189 353329464 /nfs/dbraw/zinc/32/94/64/353329464.db2.gz UDSJPHALKCLAFA-BBRMVZONSA-N 1 0 246.398 3.669 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000075813192 353329610 /nfs/dbraw/zinc/32/96/10/353329610.db2.gz UDSJPHALKCLAFA-CZUORRHYSA-N 1 0 246.398 3.669 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000075813195 353329583 /nfs/dbraw/zinc/32/95/83/353329583.db2.gz UDSJPHALKCLAFA-XJKSGUPXSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccccc1 ZINC000075824450 631280192 /nfs/dbraw/zinc/28/01/92/631280192.db2.gz ILBZSBYEGFXTFD-UHFFFAOYSA-N 1 0 205.345 3.699 20 0 BHADRO Cc1ccc(NCc2cc3ccccc3o2)nc1 ZINC000075826380 631280162 /nfs/dbraw/zinc/28/01/62/631280162.db2.gz ZBQKYMRINFTOME-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CC(C)C1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000075833339 344792933 /nfs/dbraw/zinc/79/29/33/344792933.db2.gz PYKPOUAPPIMXAR-ZDUSSCGKSA-N 1 0 232.371 3.511 20 0 BHADRO 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20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCc2ccccn2)C1 ZINC000076146085 535553769 /nfs/dbraw/zinc/55/37/69/535553769.db2.gz WSFJTJGXLICRSQ-INIZCTEOSA-N 1 0 246.398 3.526 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1ccccc1 ZINC000076276459 488107728 /nfs/dbraw/zinc/10/77/28/488107728.db2.gz SPENAXJHJKRBBI-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1ccccc1 ZINC000076276460 488108218 /nfs/dbraw/zinc/10/82/18/488108218.db2.gz SPENAXJHJKRBBI-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO Clc1ccc(C[NH2+]CCCc2ccco2)cc1 ZINC000076276480 487738814 /nfs/dbraw/zinc/73/88/14/487738814.db2.gz WXILHLQKCIVEIL-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO c1csc(CCC[NH2+]C2CCCCCC2)c1 ZINC000076277295 183515806 /nfs/dbraw/zinc/51/58/06/183515806.db2.gz RYQMBGZLLWOLKR-UHFFFAOYSA-N 1 0 237.412 3.993 20 0 BHADRO Oc1ccc(CCC[NH2+]C2CCCCCC2)cc1 ZINC000076285379 183268756 /nfs/dbraw/zinc/26/87/56/183268756.db2.gz FNSIKHDRQIYOFO-UHFFFAOYSA-N 1 0 247.382 3.637 20 0 BHADRO Clc1ccc(CCC[NH2+]Cc2ccco2)cc1 ZINC000076287531 643202939 /nfs/dbraw/zinc/20/29/39/643202939.db2.gz ZAPCJFXOFOIFCO-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO CC[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000076287540 170752086 /nfs/dbraw/zinc/75/20/86/170752086.db2.gz YXGWCWWUZDWBGZ-LLVKDONJSA-N 1 0 225.763 3.661 20 0 BHADRO CC[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000076287541 171340723 /nfs/dbraw/zinc/34/07/23/171340723.db2.gz YXGWCWWUZDWBGZ-NSHDSACASA-N 1 0 225.763 3.661 20 0 BHADRO Clc1cccc(CCC[NH2+]Cc2ccco2)c1 ZINC000076287675 353333310 /nfs/dbraw/zinc/33/33/10/353333310.db2.gz UFCVJNCNBGAVER-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO CC[C@@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000076287684 384766863 /nfs/dbraw/zinc/76/68/63/384766863.db2.gz XFSVKFVQIKOWTJ-LLVKDONJSA-N 1 0 225.763 3.661 20 0 BHADRO CC[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000076287685 171340015 /nfs/dbraw/zinc/34/00/15/171340015.db2.gz XFSVKFVQIKOWTJ-NSHDSACASA-N 1 0 225.763 3.661 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)s1 ZINC000076342171 398236083 /nfs/dbraw/zinc/23/60/83/398236083.db2.gz BMBJZLJFBMGKIV-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)s1 ZINC000076342172 398236305 /nfs/dbraw/zinc/23/63/05/398236305.db2.gz BMBJZLJFBMGKIV-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)C(C)(C)c1ccccc1 ZINC000076399849 641809502 /nfs/dbraw/zinc/80/95/02/641809502.db2.gz NSSWRWYVLGTMPL-ZDUSSCGKSA-N 1 0 243.350 3.736 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)C(C)(C)c1ccccc1 ZINC000076399853 641809134 /nfs/dbraw/zinc/80/91/34/641809134.db2.gz NSSWRWYVLGTMPL-CYBMUJFWSA-N 1 0 243.350 3.736 20 0 BHADRO C[N@H+](Cc1ccco1)[C@H]1CCCc2ccccc21 ZINC000076408117 325344321 /nfs/dbraw/zinc/34/43/21/325344321.db2.gz NTBTWKISDMPBNO-INIZCTEOSA-N 1 0 241.334 3.789 20 0 BHADRO c1csc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000076668038 325352290 /nfs/dbraw/zinc/35/22/90/325352290.db2.gz UCMMSNXORJLDKC-STQMWFEESA-N 1 0 233.380 3.994 20 0 BHADRO c1csc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000076668041 325352344 /nfs/dbraw/zinc/35/23/44/325352344.db2.gz UCMMSNXORJLDKC-QWHCGFSZSA-N 1 0 233.380 3.994 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000076668077 344805335 /nfs/dbraw/zinc/80/53/35/344805335.db2.gz VEZZEGVZMOGSBG-LBPRGKRZSA-N 1 0 221.369 3.597 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000076668081 344805213 /nfs/dbraw/zinc/80/52/13/344805213.db2.gz VEZZEGVZMOGSBG-GFCCVEGCSA-N 1 0 221.369 3.597 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@H]1C=CCCC1 ZINC000076668578 325352883 /nfs/dbraw/zinc/35/28/83/325352883.db2.gz LVXAZPCJSWXFOI-LBPRGKRZSA-N 1 0 221.369 3.679 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@@H]1C=CCCC1 ZINC000076668582 325352638 /nfs/dbraw/zinc/35/26/38/325352638.db2.gz LVXAZPCJSWXFOI-GFCCVEGCSA-N 1 0 221.369 3.679 20 0 BHADRO CCC(CC)[NH2+]CCc1cccc(Cl)c1 ZINC000076674792 168388769 /nfs/dbraw/zinc/38/87/69/168388769.db2.gz NSXBRMPOIXDNAT-UHFFFAOYSA-N 1 0 225.763 3.661 20 0 BHADRO CC1(C)CCC([NH2+]CCc2ccccc2)CC1 ZINC000076678681 384766399 /nfs/dbraw/zinc/76/63/99/384766399.db2.gz JLVPWEFXQFTYPR-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC1(C)CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000076682696 388475788 /nfs/dbraw/zinc/47/57/88/388475788.db2.gz YZPZNZQKUJDYKS-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CC1(C)CCC([NH2+]Cc2ccccc2F)CC1 ZINC000076682716 388476282 /nfs/dbraw/zinc/47/62/82/388476282.db2.gz ZINLVXACAYOMGV-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO Cc1ccc(OC2CC[NH+](C(C)C)CC2)cc1C ZINC000076686264 344805486 /nfs/dbraw/zinc/80/54/86/344805486.db2.gz WFYCLRCPAUMJEO-UHFFFAOYSA-N 1 0 247.382 3.555 20 0 BHADRO COc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000076691975 175262879 /nfs/dbraw/zinc/26/28/79/175262879.db2.gz PCUKBRJGCZOZOR-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CCC([NH2+]CCc2ccccc2F)CC1 ZINC000076694368 167892300 /nfs/dbraw/zinc/89/23/00/167892300.db2.gz LYTAQIGIYSQVCJ-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000076694396 355836234 /nfs/dbraw/zinc/83/62/34/355836234.db2.gz WRRUJQOUEUUGQO-CQSZACIVSA-N 1 0 249.423 3.579 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000076694400 355836254 /nfs/dbraw/zinc/83/62/54/355836254.db2.gz WRRUJQOUEUUGQO-AWEZNQCLSA-N 1 0 249.423 3.579 20 0 BHADRO COCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000076748425 325354345 /nfs/dbraw/zinc/35/43/45/325354345.db2.gz PIBVHGNJVWHULS-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO COCCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000076748427 323199496 /nfs/dbraw/zinc/19/94/96/323199496.db2.gz PIBVHGNJVWHULS-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)no1 ZINC000076749282 135048114 /nfs/dbraw/zinc/04/81/14/135048114.db2.gz JTAUFTIBIWXXIB-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)no1 ZINC000076749284 135048801 /nfs/dbraw/zinc/04/88/01/135048801.db2.gz JTAUFTIBIWXXIB-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)c2cccc(C)c2)o1 ZINC000076764173 370350667 /nfs/dbraw/zinc/35/06/67/370350667.db2.gz JRZDRACVOUZJPW-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]Cc2ccco2)c1 ZINC000076764366 179028198 /nfs/dbraw/zinc/02/81/98/179028198.db2.gz DQLYCLRHABYXIB-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO Fc1ccccc1C1([NH2+]Cc2cccs2)CC1 ZINC000076766625 181010189 /nfs/dbraw/zinc/01/01/89/181010189.db2.gz BTHLUKQABVSJEF-UHFFFAOYSA-N 1 0 247.338 3.666 20 0 BHADRO c1cnc2c(c1)cccc2C[NH2+]CCCC1CC1 ZINC000076767957 325355170 /nfs/dbraw/zinc/35/51/70/325355170.db2.gz SODPNNRCCZOJMB-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CSC[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000076768779 325355257 /nfs/dbraw/zinc/35/52/57/325355257.db2.gz WVAISDSYUXEGHU-LBPRGKRZSA-N 1 0 245.391 3.681 20 0 BHADRO CSC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000076768780 325355282 /nfs/dbraw/zinc/35/52/82/325355282.db2.gz WVAISDSYUXEGHU-GFCCVEGCSA-N 1 0 245.391 3.681 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000076770561 135048868 /nfs/dbraw/zinc/04/88/68/135048868.db2.gz VHBKSGFULDSOEF-ZDUSSCGKSA-N 1 0 233.380 3.607 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000076770563 135048706 /nfs/dbraw/zinc/04/87/06/135048706.db2.gz VHBKSGFULDSOEF-CYBMUJFWSA-N 1 0 233.380 3.607 20 0 BHADRO CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000076784241 169277014 /nfs/dbraw/zinc/27/70/14/169277014.db2.gz OTWKRQWPGPBMIX-NSHDSACASA-N 1 0 246.379 3.871 20 0 BHADRO CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000076784243 169287914 /nfs/dbraw/zinc/28/79/14/169287914.db2.gz OTWKRQWPGPBMIX-LLVKDONJSA-N 1 0 246.379 3.871 20 0 BHADRO CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076803688 135052104 /nfs/dbraw/zinc/05/21/04/135052104.db2.gz DLXFOBVLSQVUES-GFCCVEGCSA-N 1 0 207.317 3.607 20 0 BHADRO CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076803689 135051813 /nfs/dbraw/zinc/05/18/13/135051813.db2.gz DLXFOBVLSQVUES-LBPRGKRZSA-N 1 0 207.317 3.607 20 0 BHADRO Cc1nc(C)c(C[NH2+]C2CCCCCC2)s1 ZINC000076865071 135051511 /nfs/dbraw/zinc/05/15/11/135051511.db2.gz SLLKROIXPPLITG-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2)s1 ZINC000076865109 387887820 /nfs/dbraw/zinc/88/78/20/387887820.db2.gz VQOFYPUDDKWQHE-JTQLQIEISA-N 1 0 246.379 3.611 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@H](C)c2ccccc2)s1 ZINC000076865111 387887046 /nfs/dbraw/zinc/88/70/46/387887046.db2.gz VQOFYPUDDKWQHE-SNVBAGLBSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)o1 ZINC000076901852 384387223 /nfs/dbraw/zinc/38/72/23/384387223.db2.gz QLVKAMXPXOUPRL-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO CC(C)([NH2+]Cc1cccs1)c1cccc(F)c1 ZINC000076902041 188310344 /nfs/dbraw/zinc/31/03/44/188310344.db2.gz TZGIQRCKSZJQKB-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1)c1cccc(F)c1 ZINC000076902072 370364473 /nfs/dbraw/zinc/36/44/73/370364473.db2.gz IJHNASUWFJNBCP-UHFFFAOYSA-N 1 0 243.325 3.851 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccs1)c1ccccn1 ZINC000076903274 641832105 /nfs/dbraw/zinc/83/21/05/641832105.db2.gz YGGONMRPJSGVHE-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccs1)c1ccccn1 ZINC000076903283 641832349 /nfs/dbraw/zinc/83/23/49/641832349.db2.gz YGGONMRPJSGVHE-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccccc1)c1ccccn1 ZINC000076903390 641145685 /nfs/dbraw/zinc/14/56/85/641145685.db2.gz IHZOTATUNGBNCE-INIZCTEOSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccccc1)c1ccccn1 ZINC000076903394 641146254 /nfs/dbraw/zinc/14/62/54/641146254.db2.gz IHZOTATUNGBNCE-MRXNPFEDSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccsc1)c1ccccn1 ZINC000076903659 641832873 /nfs/dbraw/zinc/83/28/73/641832873.db2.gz RCQJLINPKJVUQG-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccsc1)c1ccccn1 ZINC000076903660 641833604 /nfs/dbraw/zinc/83/36/04/641833604.db2.gz RCQJLINPKJVUQG-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1oc2ccccc2c1C ZINC000077067916 384770009 /nfs/dbraw/zinc/77/00/09/384770009.db2.gz HAPRMXFTBPFIKF-SNVBAGLBSA-N 1 0 217.312 3.629 20 0 BHADRO CC[C@H](C)[NH2+]Cc1oc2ccccc2c1C ZINC000077067917 171344045 /nfs/dbraw/zinc/34/40/45/171344045.db2.gz HAPRMXFTBPFIKF-JTQLQIEISA-N 1 0 217.312 3.629 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+]C1CCCC1 ZINC000077067918 643588261 /nfs/dbraw/zinc/58/82/61/643588261.db2.gz ABEVBFGERBLZDC-UHFFFAOYSA-N 1 0 229.323 3.773 20 0 BHADRO CC[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000077234478 325370129 /nfs/dbraw/zinc/37/01/29/325370129.db2.gz RWEJBHXJLSULNH-UHFFFAOYSA-N 1 0 242.366 3.676 20 0 BHADRO C[N@H+](CCC(F)(F)F)C1CCCCCC1 ZINC000077248121 344814047 /nfs/dbraw/zinc/81/40/47/344814047.db2.gz CCNGGRCXEKZVDS-UHFFFAOYSA-N 1 0 223.282 3.593 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000077248299 344814076 /nfs/dbraw/zinc/81/40/76/344814076.db2.gz ITKKAEQJGYHGOS-LBPRGKRZSA-N 1 0 243.272 3.776 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000077248301 487845956 /nfs/dbraw/zinc/84/59/56/487845956.db2.gz ITKKAEQJGYHGOS-GFCCVEGCSA-N 1 0 243.272 3.776 20 0 BHADRO FC(F)(F)CC[N@H+](Cc1ccccc1)C1CC1 ZINC000077250129 344813956 /nfs/dbraw/zinc/81/39/56/344813956.db2.gz BUSRBGOOLQNVEP-UHFFFAOYSA-N 1 0 243.272 3.603 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)Cc1ccon1 ZINC000077250609 368257023 /nfs/dbraw/zinc/25/70/23/368257023.db2.gz BRJMWLBPXWNQPR-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO CCCCC[N@H+](CCC(F)(F)F)C(C)C ZINC000077250907 370404167 /nfs/dbraw/zinc/40/41/67/370404167.db2.gz IIHSRXDRPXQKMP-UHFFFAOYSA-N 1 0 225.298 3.839 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000077265640 344814692 /nfs/dbraw/zinc/81/46/92/344814692.db2.gz NEGXZDMVPHPKDV-JTQLQIEISA-N 1 0 249.301 3.837 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000077265644 344814748 /nfs/dbraw/zinc/81/47/48/344814748.db2.gz NEGXZDMVPHPKDV-SNVBAGLBSA-N 1 0 249.301 3.837 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000077266262 344814603 /nfs/dbraw/zinc/81/46/03/344814603.db2.gz GJEWZNYVXKKTLY-LLVKDONJSA-N 1 0 245.288 3.940 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCC(F)(F)F)cc1 ZINC000077266266 344814556 /nfs/dbraw/zinc/81/45/56/344814556.db2.gz GJEWZNYVXKKTLY-NSHDSACASA-N 1 0 245.288 3.940 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000077266694 641841276 /nfs/dbraw/zinc/84/12/76/641841276.db2.gz BYTYBDGBOQZBBG-CQSZACIVSA-N 1 0 220.360 3.732 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000077266699 641841849 /nfs/dbraw/zinc/84/18/49/641841849.db2.gz BYTYBDGBOQZBBG-AWEZNQCLSA-N 1 0 220.360 3.732 20 0 BHADRO CCCCCC[NH+]1CCC(OCC(C)C)CC1 ZINC000077268380 641841988 /nfs/dbraw/zinc/84/19/88/641841988.db2.gz FLEPZWOWMFORGX-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](Cc1ccon1)[C@@H](C)CCC ZINC000077270884 325372028 /nfs/dbraw/zinc/37/20/28/325372028.db2.gz BAWTYIDSZGSXDD-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO CCCCC[N@H+](Cc1ccon1)[C@H](C)CCC ZINC000077270891 325372068 /nfs/dbraw/zinc/37/20/68/325372068.db2.gz BAWTYIDSZGSXDD-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000077273137 384208934 /nfs/dbraw/zinc/20/89/34/384208934.db2.gz KZOPGABCHWIFRE-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000077273142 384208654 /nfs/dbraw/zinc/20/86/54/384208654.db2.gz KZOPGABCHWIFRE-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO c1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)no1 ZINC000077273197 370409474 /nfs/dbraw/zinc/40/94/74/370409474.db2.gz WEUYQZPHUADUBI-OAHLLOKOSA-N 1 0 248.370 3.609 20 0 BHADRO c1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)no1 ZINC000077273202 370409666 /nfs/dbraw/zinc/40/96/66/370409666.db2.gz WEUYQZPHUADUBI-HNNXBMFYSA-N 1 0 248.370 3.609 20 0 BHADRO CCCCCC[N@H+](CC)CCC(F)(F)F ZINC000077274043 631417273 /nfs/dbraw/zinc/41/72/73/631417273.db2.gz HKTUKOZKXGUTDL-UHFFFAOYSA-N 1 0 225.298 3.841 20 0 BHADRO C[N@H+](CCC(F)(F)F)C1CCCCCCC1 ZINC000077274259 711464844 /nfs/dbraw/zinc/46/48/44/711464844.db2.gz UJSHFYNABRXSNU-UHFFFAOYSA-N 1 0 237.309 3.984 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CC1)C1CCCCC1 ZINC000077278920 325372614 /nfs/dbraw/zinc/37/26/14/325372614.db2.gz WCBSFQQKXNQRGK-UHFFFAOYSA-N 1 0 249.320 3.984 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(F)(F)F)C1CC1 ZINC000077282890 344815127 /nfs/dbraw/zinc/81/51/27/344815127.db2.gz YMGRNBIYKCTUDW-NXEZZACHSA-N 1 0 237.309 3.838 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCC(F)(F)F)C1CC1 ZINC000077282893 344814983 /nfs/dbraw/zinc/81/49/83/344814983.db2.gz YMGRNBIYKCTUDW-VHSXEESVSA-N 1 0 237.309 3.838 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCC(F)(F)F)C1CC1 ZINC000077282895 344814933 /nfs/dbraw/zinc/81/49/33/344814933.db2.gz YMGRNBIYKCTUDW-ZJUUUORDSA-N 1 0 237.309 3.838 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCC(F)(F)F)C1CC1 ZINC000077282900 344815186 /nfs/dbraw/zinc/81/51/86/344815186.db2.gz YMGRNBIYKCTUDW-UWVGGRQHSA-N 1 0 237.309 3.838 20 0 BHADRO CCC(CC)C[N@H+](CC)CCC(F)(F)F ZINC000077314567 344816344 /nfs/dbraw/zinc/81/63/44/344816344.db2.gz LHOMFJJBHPZBBH-UHFFFAOYSA-N 1 0 225.298 3.697 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000077316259 344816207 /nfs/dbraw/zinc/81/62/07/344816207.db2.gz IHFOSUSPLUEEQL-LLVKDONJSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000077316260 344816523 /nfs/dbraw/zinc/81/65/23/344816523.db2.gz IHFOSUSPLUEEQL-NSHDSACASA-N 1 0 237.309 3.697 20 0 BHADRO FC(F)(F)CC[NH+]1CCC2(CCCC2)CC1 ZINC000077318524 344816607 /nfs/dbraw/zinc/81/66/07/344816607.db2.gz DEGFPXJAFMTVFC-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO CC(C)[N@H+](Cc1nc2ccccc2o1)C1CCC1 ZINC000077357758 535120575 /nfs/dbraw/zinc/12/05/75/535120575.db2.gz VBWFFAQQYWIZIG-UHFFFAOYSA-N 1 0 244.338 3.591 20 0 BHADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000077359860 325376079 /nfs/dbraw/zinc/37/60/79/325376079.db2.gz CUDQWQPTZVZNRZ-JTQLQIEISA-N 1 0 243.272 3.862 20 0 BHADRO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000077359862 325376277 /nfs/dbraw/zinc/37/62/77/325376277.db2.gz CUDQWQPTZVZNRZ-SNVBAGLBSA-N 1 0 243.272 3.862 20 0 BHADRO Cc1ccccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000077377853 344817435 /nfs/dbraw/zinc/81/74/35/344817435.db2.gz DSQWQKOIHYFJGT-UHFFFAOYSA-N 1 0 237.346 3.774 20 0 BHADRO Cc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000077378009 344817336 /nfs/dbraw/zinc/81/73/36/344817336.db2.gz WHPZIEUNYPQFJF-UHFFFAOYSA-N 1 0 237.346 3.774 20 0 BHADRO Fc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000077378172 344817274 /nfs/dbraw/zinc/81/72/74/344817274.db2.gz FEGKTGZDJMOTSB-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO Fc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000077378634 344817725 /nfs/dbraw/zinc/81/77/25/344817725.db2.gz DDGPWURTKCWGIL-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO c1csc(CC[NH2+]C2(c3ccccc3)CC2)c1 ZINC000077379224 643266593 /nfs/dbraw/zinc/26/65/93/643266593.db2.gz KRSJOUXJKWGOIQ-UHFFFAOYSA-N 1 0 243.375 3.570 20 0 BHADRO CC(C)c1nc(C[N@@H+]2CCCC2(C)C)cs1 ZINC000077383038 325376420 /nfs/dbraw/zinc/37/64/20/325376420.db2.gz BGNUDMZDHJPPKL-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000077453884 135392172 /nfs/dbraw/zinc/39/21/72/135392172.db2.gz SUVJFELVYWUAMS-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000077453887 536077688 /nfs/dbraw/zinc/07/76/88/536077688.db2.gz SUVJFELVYWUAMS-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000077453890 135392325 /nfs/dbraw/zinc/39/23/25/135392325.db2.gz SUVJFELVYWUAMS-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000077453893 135392419 /nfs/dbraw/zinc/39/24/19/135392419.db2.gz SUVJFELVYWUAMS-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000077897039 364430169 /nfs/dbraw/zinc/43/01/69/364430169.db2.gz UQOSSVMGEOVDJR-LBPRGKRZSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000077897040 323362791 /nfs/dbraw/zinc/36/27/91/323362791.db2.gz UQOSSVMGEOVDJR-GFCCVEGCSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000077923523 344083643 /nfs/dbraw/zinc/08/36/43/344083643.db2.gz OBDUUZAUCDKWGM-AWEZNQCLSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000077923524 370507078 /nfs/dbraw/zinc/50/70/78/370507078.db2.gz OBDUUZAUCDKWGM-CQSZACIVSA-N 1 0 217.356 3.697 20 0 BHADRO CC[C@H](Nc1ccccn1)c1ccc(F)cc1F ZINC000077987071 344828547 /nfs/dbraw/zinc/82/85/47/344828547.db2.gz MNBPZNCUMRLZNR-ZDUSSCGKSA-N 1 0 248.276 3.923 20 0 BHADRO CC[C@@H](Nc1ccccn1)c1ccc(F)cc1F ZINC000077987074 344828870 /nfs/dbraw/zinc/82/88/70/344828870.db2.gz MNBPZNCUMRLZNR-CYBMUJFWSA-N 1 0 248.276 3.923 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)o1 ZINC000078003595 135089339 /nfs/dbraw/zinc/08/93/39/135089339.db2.gz QVSATNMFNNEESV-JTQLQIEISA-N 1 0 249.379 3.679 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(C)s2)o1 ZINC000078003597 135089992 /nfs/dbraw/zinc/08/99/92/135089992.db2.gz QVSATNMFNNEESV-SNVBAGLBSA-N 1 0 249.379 3.679 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1C)c1nccs1 ZINC000078003972 535920715 /nfs/dbraw/zinc/92/07/15/535920715.db2.gz PNOXFGWNIKGCFQ-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1C)c1nccs1 ZINC000078003976 135090080 /nfs/dbraw/zinc/09/00/80/135090080.db2.gz PNOXFGWNIKGCFQ-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CC(C)CC[NH+]1CCC(c2ccccc2)CC1 ZINC000078011549 488196466 /nfs/dbraw/zinc/19/64/66/488196466.db2.gz WKIHBVHNAYYIGC-UHFFFAOYSA-N 1 0 231.383 3.912 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078214626 364436110 /nfs/dbraw/zinc/43/61/10/364436110.db2.gz KUYAQCREIMFKQK-UONOGXRCSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078214627 344833097 /nfs/dbraw/zinc/83/30/97/344833097.db2.gz KUYAQCREIMFKQK-KBPBESRZSA-N 1 0 217.356 3.870 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000078303233 135118410 /nfs/dbraw/zinc/11/84/10/135118410.db2.gz JYKXNQYDWWXFMN-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1C ZINC000078358601 135394108 /nfs/dbraw/zinc/39/41/08/135394108.db2.gz GYNVEOGBCTXRFS-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cccc(C)c1C ZINC000078358613 325416062 /nfs/dbraw/zinc/41/60/62/325416062.db2.gz NWUPEGWFCQJLBP-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000078435929 488208034 /nfs/dbraw/zinc/20/80/34/488208034.db2.gz FVLRKBDRXBBHJO-CQSZACIVSA-N 1 0 203.329 3.542 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000078436247 344869005 /nfs/dbraw/zinc/86/90/05/344869005.db2.gz STSOEHYOZRJBLY-HNNXBMFYSA-N 1 0 233.355 3.632 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(O)cc1 ZINC000078446462 490172661 /nfs/dbraw/zinc/17/26/61/490172661.db2.gz PXIHKNKHTBEKQJ-UHFFFAOYSA-N 1 0 235.371 3.794 20 0 BHADRO CCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000078448012 359326966 /nfs/dbraw/zinc/32/69/66/359326966.db2.gz ZECYDXDIZDMXOY-UHFFFAOYSA-N 1 0 242.366 3.757 20 0 BHADRO CC(C)C[N@H+](CC1CC1)C1CCCCC1 ZINC000078458870 370566741 /nfs/dbraw/zinc/56/67/41/370566741.db2.gz HKHIYRJSLJJBHG-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccncc1 ZINC000078461491 398258724 /nfs/dbraw/zinc/25/87/24/398258724.db2.gz LBSLVDFTLPMBJT-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)[C@H](C)C1 ZINC000078461893 388501716 /nfs/dbraw/zinc/50/17/16/388501716.db2.gz KUOPGFASIYSYEI-GYSYKLTISA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)[C@H](C)C1 ZINC000078461908 325419353 /nfs/dbraw/zinc/41/93/53/325419353.db2.gz KUOPGFASIYSYEI-JTNHKYCSSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000078461945 388501777 /nfs/dbraw/zinc/50/17/77/388501777.db2.gz WOLAUVDWZVKSOI-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000078461958 388501335 /nfs/dbraw/zinc/50/13/35/388501335.db2.gz WOLAUVDWZVKSOI-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000078462220 641925255 /nfs/dbraw/zinc/92/52/55/641925255.db2.gz UIKHFUWCUZQELX-CXTNEJHOSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC000078462274 325419345 /nfs/dbraw/zinc/41/93/45/325419345.db2.gz AXGDOMBKIHBCFH-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC000078462281 388501682 /nfs/dbraw/zinc/50/16/82/388501682.db2.gz AXGDOMBKIHBCFH-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000078462329 325419342 /nfs/dbraw/zinc/41/93/42/325419342.db2.gz HMXHLCKTSYXHNR-XJKCOSOUSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc1 ZINC000078462331 325419250 /nfs/dbraw/zinc/41/92/50/325419250.db2.gz HMXHLCKTSYXHNR-WOSRLPQWSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cccnc1 ZINC000078462449 398258706 /nfs/dbraw/zinc/25/87/06/398258706.db2.gz QVDNDFHSXYUUST-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)c1cccnc1 ZINC000078462464 387877130 /nfs/dbraw/zinc/87/71/30/387877130.db2.gz QVDNDFHSXYUUST-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cccc(O)c1 ZINC000078462505 325419291 /nfs/dbraw/zinc/41/92/91/325419291.db2.gz IXPRUGZXAILCNH-FOCJUVANSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccccn1 ZINC000078462851 135124788 /nfs/dbraw/zinc/12/47/88/135124788.db2.gz FTQJVXPIJOMHRO-MQYQWHSLSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)c1ccccn1 ZINC000078462863 490172913 /nfs/dbraw/zinc/17/29/13/490172913.db2.gz FTQJVXPIJOMHRO-YIYPIFLZSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000078463041 388501587 /nfs/dbraw/zinc/50/15/87/388501587.db2.gz YTMYQGIXENOVBS-NFAWXSAZSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000078463056 325419289 /nfs/dbraw/zinc/41/92/89/325419289.db2.gz YTMYQGIXENOVBS-UMVBOHGHSA-N 1 0 217.356 3.601 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)s1 ZINC000078463100 388501568 /nfs/dbraw/zinc/50/15/68/388501568.db2.gz VECLFLQEKAYTHL-COPLHBTASA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)s1 ZINC000078463121 325419248 /nfs/dbraw/zinc/41/92/48/325419248.db2.gz VECLFLQEKAYTHL-UHIISALHSA-N 1 0 237.412 3.971 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC000078463484 385539767 /nfs/dbraw/zinc/53/97/67/385539767.db2.gz FAJFSCWQPISRNY-WZRBSPASSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC000078463493 384072305 /nfs/dbraw/zinc/07/23/05/384072305.db2.gz FAJFSCWQPISRNY-NQBHXWOUSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccco1 ZINC000078463546 135125092 /nfs/dbraw/zinc/12/50/92/135125092.db2.gz NCZODRVKODKFFD-NDBYEHHHSA-N 1 0 221.344 3.755 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000078463910 388501504 /nfs/dbraw/zinc/50/15/04/388501504.db2.gz QOFZMLKXEYCQTE-XJKCOSOUSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000078463913 325419336 /nfs/dbraw/zinc/41/93/36/325419336.db2.gz QOFZMLKXEYCQTE-WOSRLPQWSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC000078464423 388501280 /nfs/dbraw/zinc/50/12/80/388501280.db2.gz RVHYMFWVGUXBHO-JMSVASOKSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC000078464437 388501846 /nfs/dbraw/zinc/50/18/46/388501846.db2.gz RVHYMFWVGUXBHO-LALPHHSUSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000078464459 388501217 /nfs/dbraw/zinc/50/12/17/388501217.db2.gz BPEPQBKVEXUBBH-UMVBOHGHSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000078464463 325419240 /nfs/dbraw/zinc/41/92/40/325419240.db2.gz BPEPQBKVEXUBBH-GZBFAFLISA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)[C@H](C)C1 ZINC000078464697 325419086 /nfs/dbraw/zinc/41/90/86/325419086.db2.gz SIBYSSBQIYEZHT-WZRBSPASSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)[C@H](C)C1 ZINC000078464710 325419198 /nfs/dbraw/zinc/41/91/98/325419198.db2.gz SIBYSSBQIYEZHT-NQBHXWOUSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000078465986 388501443 /nfs/dbraw/zinc/50/14/43/388501443.db2.gz RWCSELJPOIASMF-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000078465995 325419213 /nfs/dbraw/zinc/41/92/13/325419213.db2.gz RWCSELJPOIASMF-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO Cc1nc(CN(C)[C@@H](C)c2ccccc2)cs1 ZINC000078499764 384447780 /nfs/dbraw/zinc/44/77/80/384447780.db2.gz WLLIFJSEHOMQKT-NSHDSACASA-N 1 0 246.379 3.645 20 0 BHADRO Cc1nc(CN(C)[C@H](C)c2ccccc2)cs1 ZINC000078499767 384447434 /nfs/dbraw/zinc/44/74/34/384447434.db2.gz WLLIFJSEHOMQKT-LLVKDONJSA-N 1 0 246.379 3.645 20 0 BHADRO CCC(C)(C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000078514526 388504527 /nfs/dbraw/zinc/50/45/27/388504527.db2.gz OCPXXZGVBREVDR-UHFFFAOYSA-N 1 0 244.338 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000078514980 398259014 /nfs/dbraw/zinc/25/90/14/398259014.db2.gz GQNRLJMJKDFBET-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)c1cccnc1 ZINC000078514984 325421117 /nfs/dbraw/zinc/42/11/17/325421117.db2.gz GQNRLJMJKDFBET-IHRRRGAJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000078514989 398259224 /nfs/dbraw/zinc/25/92/24/398259224.db2.gz GQNRLJMJKDFBET-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)c1cccnc1 ZINC000078514993 325421184 /nfs/dbraw/zinc/42/11/84/325421184.db2.gz GQNRLJMJKDFBET-MELADBBJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccsc2)[C@@H]1C ZINC000078533765 325421555 /nfs/dbraw/zinc/42/15/55/325421555.db2.gz NIUVTISQGOWKQH-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccsc2)[C@@H]1C ZINC000078533774 388504262 /nfs/dbraw/zinc/50/42/62/388504262.db2.gz NIUVTISQGOWKQH-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2ccsc2)[C@H](C)C1 ZINC000078533793 325421561 /nfs/dbraw/zinc/42/15/61/325421561.db2.gz DDILLAZRTVMBEW-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2)[C@H](C)C1 ZINC000078533803 344098638 /nfs/dbraw/zinc/09/86/38/344098638.db2.gz DDILLAZRTVMBEW-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000078543931 536782353 /nfs/dbraw/zinc/78/23/53/536782353.db2.gz RDHPFKYRCPCOEY-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000078543937 536782256 /nfs/dbraw/zinc/78/22/56/536782256.db2.gz RDHPFKYRCPCOEY-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000078543941 536780764 /nfs/dbraw/zinc/78/07/64/536780764.db2.gz RDHPFKYRCPCOEY-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000078543946 536780580 /nfs/dbraw/zinc/78/05/80/536780580.db2.gz RDHPFKYRCPCOEY-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CC(C)C[NH+](CCC(F)(F)F)CC(C)C ZINC000078633369 344891920 /nfs/dbraw/zinc/89/19/20/344891920.db2.gz RTFXZKNMTVWEDR-UHFFFAOYSA-N 1 0 225.298 3.553 20 0 BHADRO CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000078638266 370583719 /nfs/dbraw/zinc/58/37/19/370583719.db2.gz PMILJLZKEVUGPQ-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO CCCC[NH+](CCCC)Cc1csc(C)n1 ZINC000078647915 388508786 /nfs/dbraw/zinc/50/87/86/388508786.db2.gz WWWXVSHMSYAPFN-UHFFFAOYSA-N 1 0 240.416 3.854 20 0 BHADRO CCCC[NH+](CCCC)CCC(F)(F)F ZINC000078647941 364448940 /nfs/dbraw/zinc/44/89/40/364448940.db2.gz ROOOEHADLGTNRV-UHFFFAOYSA-N 1 0 225.298 3.841 20 0 BHADRO Fc1ccc2c(NCC3CCC3)cc[nH+]c2c1 ZINC000078694947 135140067 /nfs/dbraw/zinc/14/00/67/135140067.db2.gz HNPSCKLESGLLFW-UHFFFAOYSA-N 1 0 230.286 3.586 20 0 BHADRO CCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000078720139 490221616 /nfs/dbraw/zinc/22/16/16/490221616.db2.gz NNATUQSYSDYMNY-UHFFFAOYSA-N 1 0 245.288 3.851 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCC(F)(F)F ZINC000078729367 344102105 /nfs/dbraw/zinc/10/21/05/344102105.db2.gz HQIUJSFNBUIYDG-JTQLQIEISA-N 1 0 231.261 3.632 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCC(F)(F)F ZINC000078729372 344102010 /nfs/dbraw/zinc/10/20/10/344102010.db2.gz HQIUJSFNBUIYDG-SNVBAGLBSA-N 1 0 231.261 3.632 20 0 BHADRO c1cc(C[N@@H+](CC2CCCCC2)C2CC2)ccn1 ZINC000078731218 384459652 /nfs/dbraw/zinc/45/96/52/384459652.db2.gz HECXTXXMWOQEKW-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO c1ccc(SCC[NH+]2CCCCCC2)cc1 ZINC000078738902 325430580 /nfs/dbraw/zinc/43/05/80/325430580.db2.gz AUYAELGXZLFTJX-UHFFFAOYSA-N 1 0 235.396 3.655 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2ccccc2)C1 ZINC000078738916 388512070 /nfs/dbraw/zinc/51/20/70/388512070.db2.gz KZEZZOBUHHRGNT-OKILXGFUSA-N 1 0 249.423 3.757 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCSc2ccccc2)C1 ZINC000078738919 325430553 /nfs/dbraw/zinc/43/05/53/325430553.db2.gz KZEZZOBUHHRGNT-KBPBESRZSA-N 1 0 249.423 3.757 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2ccccc2)C1 ZINC000078738923 388511853 /nfs/dbraw/zinc/51/18/53/388511853.db2.gz KZEZZOBUHHRGNT-ZIAGYGMSSA-N 1 0 249.423 3.757 20 0 BHADRO CCCC[N@H+](C)CCSc1ccccc1 ZINC000078738925 388511873 /nfs/dbraw/zinc/51/18/73/388511873.db2.gz OWCXLFKOKIBJRM-UHFFFAOYSA-N 1 0 223.385 3.511 20 0 BHADRO CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000078738939 388512097 /nfs/dbraw/zinc/51/20/97/388512097.db2.gz GSNKYNFXOCJLFA-UHFFFAOYSA-N 1 0 235.396 3.511 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000078738942 388512297 /nfs/dbraw/zinc/51/22/97/388512297.db2.gz CMWYEAPNBPUVNT-CYBMUJFWSA-N 1 0 235.396 3.653 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000078738943 388512529 /nfs/dbraw/zinc/51/25/29/388512529.db2.gz CMWYEAPNBPUVNT-ZDUSSCGKSA-N 1 0 235.396 3.653 20 0 BHADRO CCC[NH+](CCC)CCSc1ccccc1 ZINC000078739017 388512112 /nfs/dbraw/zinc/51/21/12/388512112.db2.gz VZEOQHPRAGHEPE-UHFFFAOYSA-N 1 0 237.412 3.901 20 0 BHADRO CCCC[N@H+](CC)CCSc1ccccc1 ZINC000078739021 388512259 /nfs/dbraw/zinc/51/22/59/388512259.db2.gz WRYLMGLLYJZWME-UHFFFAOYSA-N 1 0 237.412 3.901 20 0 BHADRO CC(C)CC[N@H+](C)CCSc1ccccc1 ZINC000078739061 370595167 /nfs/dbraw/zinc/59/51/67/370595167.db2.gz QEUZGFWVAKSZOY-UHFFFAOYSA-N 1 0 237.412 3.757 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCSc1ccccc1 ZINC000078739088 368431808 /nfs/dbraw/zinc/43/18/08/368431808.db2.gz VXEFKGZQTJHZFR-LBPRGKRZSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCSc1ccccc1 ZINC000078739091 368432464 /nfs/dbraw/zinc/43/24/64/368432464.db2.gz VXEFKGZQTJHZFR-GFCCVEGCSA-N 1 0 235.396 3.509 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000078762067 641952152 /nfs/dbraw/zinc/95/21/52/641952152.db2.gz ZJRPOMXWQNMXSI-FZKGZDJFSA-N 1 0 229.795 3.887 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000078762076 641951737 /nfs/dbraw/zinc/95/17/37/641951737.db2.gz ZJRPOMXWQNMXSI-ZCRIDZFUSA-N 1 0 229.795 3.887 20 0 BHADRO CCCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000078774784 388685292 /nfs/dbraw/zinc/68/52/92/388685292.db2.gz LCOKOTYSGTXOTE-UHFFFAOYSA-N 1 0 217.356 3.841 20 0 BHADRO CCCCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000078774849 388685948 /nfs/dbraw/zinc/68/59/48/388685948.db2.gz ZULVNZWDEOYTHZ-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000078774852 388685611 /nfs/dbraw/zinc/68/56/11/388685611.db2.gz ZULVNZWDEOYTHZ-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@H+](C)CCCOc1ccccc1 ZINC000078774944 388512990 /nfs/dbraw/zinc/51/29/90/388512990.db2.gz RZMYYJXJOVPAJK-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CCCCC[N@H+](C)CCCc1ccc(OC)cc1 ZINC000078775009 388685443 /nfs/dbraw/zinc/68/54/43/388685443.db2.gz ZTLQJBVTLXTFER-UHFFFAOYSA-N 1 0 249.398 3.750 20 0 BHADRO CCCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000078775084 384462627 /nfs/dbraw/zinc/46/26/27/384462627.db2.gz JILRNFHKVPBORE-UHFFFAOYSA-N 1 0 241.325 3.977 20 0 BHADRO CCCCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000078775329 388513136 /nfs/dbraw/zinc/51/31/36/388513136.db2.gz ZGLIRTXYBLDIEG-UHFFFAOYSA-N 1 0 235.371 3.626 20 0 BHADRO CCCCC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000078775330 388513581 /nfs/dbraw/zinc/51/35/81/388513581.db2.gz YVXYPEOBOPYKEI-UHFFFAOYSA-N 1 0 247.382 3.634 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@H](SCC)C1 ZINC000078775395 388685066 /nfs/dbraw/zinc/68/50/66/388685066.db2.gz RBXHCZQANAECEZ-ZDUSSCGKSA-N 1 0 229.433 3.784 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000078775398 388685848 /nfs/dbraw/zinc/68/58/48/388685848.db2.gz RBXHCZQANAECEZ-CYBMUJFWSA-N 1 0 229.433 3.784 20 0 BHADRO CCCC[NH2+]Cc1coc(-c2ccc(C)cc2)n1 ZINC000078792104 641954463 /nfs/dbraw/zinc/95/44/63/641954463.db2.gz VYFKGQALWDQDIJ-UHFFFAOYSA-N 1 0 244.338 3.540 20 0 BHADRO CC(C)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078831240 370606308 /nfs/dbraw/zinc/60/63/08/370606308.db2.gz USBFEGSQQSHWHA-CYBMUJFWSA-N 1 0 221.344 3.853 20 0 BHADRO CC(C)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000078831248 370605769 /nfs/dbraw/zinc/60/57/69/370605769.db2.gz USBFEGSQQSHWHA-ZDUSSCGKSA-N 1 0 221.344 3.853 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CCOC(C)C)cc1 ZINC000078873258 344916380 /nfs/dbraw/zinc/91/63/80/344916380.db2.gz SJQBJGOLRUBTKR-INIZCTEOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CCOC(C)C)cc1 ZINC000078873260 344916334 /nfs/dbraw/zinc/91/63/34/344916334.db2.gz SJQBJGOLRUBTKR-MRXNPFEDSA-N 1 0 247.382 3.557 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000078961867 490186305 /nfs/dbraw/zinc/18/63/05/490186305.db2.gz LVOKIFOBXZGGMY-HNNXBMFYSA-N 1 0 232.371 3.732 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000078961874 490186177 /nfs/dbraw/zinc/18/61/77/490186177.db2.gz LVOKIFOBXZGGMY-OAHLLOKOSA-N 1 0 232.371 3.732 20 0 BHADRO CC(C)CC[N@H+](Cc1cccs1)C1CC1 ZINC000079085449 388523687 /nfs/dbraw/zinc/52/36/87/388523687.db2.gz ZODNOYABSBLYOS-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000079086946 644151269 /nfs/dbraw/zinc/15/12/69/644151269.db2.gz RXBSJZPXCVKBDB-INIZCTEOSA-N 1 0 237.346 3.506 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)CC(F)(F)F ZINC000079165923 344943530 /nfs/dbraw/zinc/94/35/30/344943530.db2.gz ISCVEARFDRISEK-QWRGUYRKSA-N 1 0 245.288 3.926 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)CC(F)(F)F ZINC000079165924 344943727 /nfs/dbraw/zinc/94/37/27/344943727.db2.gz ISCVEARFDRISEK-MNOVXSKESA-N 1 0 245.288 3.926 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000079165925 344943637 /nfs/dbraw/zinc/94/36/37/344943637.db2.gz ISCVEARFDRISEK-WDEREUQCSA-N 1 0 245.288 3.926 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccc1)CC(F)(F)F ZINC000079165926 344943773 /nfs/dbraw/zinc/94/37/73/344943773.db2.gz ISCVEARFDRISEK-GHMZBOCLSA-N 1 0 245.288 3.926 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC000079302541 135306195 /nfs/dbraw/zinc/30/61/95/135306195.db2.gz VBJXMIHMICVQET-OAHLLOKOSA-N 1 0 246.398 3.527 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC000079302544 135306042 /nfs/dbraw/zinc/30/60/42/135306042.db2.gz VBJXMIHMICVQET-HNNXBMFYSA-N 1 0 246.398 3.527 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCC(=O)C(C)(C)C)CC1 ZINC000079397948 636359691 /nfs/dbraw/zinc/35/96/91/636359691.db2.gz OCOLIWPVRFBLTR-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[N@H+](CCC(=O)C(C)(C)C)CC1 ZINC000079397951 636359771 /nfs/dbraw/zinc/35/97/71/636359771.db2.gz OCOLIWPVRFBLTR-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000079482540 388535407 /nfs/dbraw/zinc/53/54/07/388535407.db2.gz RCPKFWGPFNEEQD-JTQLQIEISA-N 1 0 225.282 3.512 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000079482546 325454842 /nfs/dbraw/zinc/45/48/42/325454842.db2.gz RCPKFWGPFNEEQD-SNVBAGLBSA-N 1 0 225.282 3.512 20 0 BHADRO CCC[NH+](CCC)CCCc1ccccc1 ZINC000079516236 490058435 /nfs/dbraw/zinc/05/84/35/490058435.db2.gz PQFCMGPSLJXDFY-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000079603903 643276506 /nfs/dbraw/zinc/27/65/06/643276506.db2.gz LVZLFRFVPIGTES-NSHDSACASA-N 1 0 243.272 3.515 20 0 BHADRO CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000079603906 643278327 /nfs/dbraw/zinc/27/83/27/643278327.db2.gz LVZLFRFVPIGTES-LLVKDONJSA-N 1 0 243.272 3.515 20 0 BHADRO C[N@H+](CCSc1ccccc1)C1CCCC1 ZINC000079618364 359660154 /nfs/dbraw/zinc/66/01/54/359660154.db2.gz YAEGVIFJCLJYQT-UHFFFAOYSA-N 1 0 235.396 3.653 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618377 388540723 /nfs/dbraw/zinc/54/07/23/388540723.db2.gz KJLUNKKDQUBWKP-CYBMUJFWSA-N 1 0 237.412 3.755 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618378 388541161 /nfs/dbraw/zinc/54/11/61/388541161.db2.gz KJLUNKKDQUBWKP-ZDUSSCGKSA-N 1 0 237.412 3.755 20 0 BHADRO CC(C)C[N@H+](CCSc1ccccc1)C1CC1 ZINC000079618380 388540421 /nfs/dbraw/zinc/54/04/21/388540421.db2.gz QKTKABXFTHFQCC-UHFFFAOYSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000079618436 388540443 /nfs/dbraw/zinc/54/04/43/388540443.db2.gz WRSRTVJALIQEQF-CQSZACIVSA-N 1 0 249.423 3.901 20 0 BHADRO CC[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000079618440 359660130 /nfs/dbraw/zinc/66/01/30/359660130.db2.gz WRSRTVJALIQEQF-AWEZNQCLSA-N 1 0 249.423 3.901 20 0 BHADRO CC(C)[N@H+](CCSc1ccccc1)CC1CC1 ZINC000079618443 359660135 /nfs/dbraw/zinc/66/01/35/359660135.db2.gz KJQRCXUPCOPLBE-UHFFFAOYSA-N 1 0 249.423 3.899 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618446 359659903 /nfs/dbraw/zinc/65/99/03/359659903.db2.gz LORAVSGGJQVCRY-CYBMUJFWSA-N 1 0 237.412 3.899 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618449 387579412 /nfs/dbraw/zinc/57/94/12/387579412.db2.gz LORAVSGGJQVCRY-ZDUSSCGKSA-N 1 0 237.412 3.899 20 0 BHADRO CCC1CC[NH+](CCSc2ccccc2)CC1 ZINC000079618508 322937746 /nfs/dbraw/zinc/93/77/46/322937746.db2.gz YGLABKWCLDFXRI-UHFFFAOYSA-N 1 0 249.423 3.901 20 0 BHADRO C[N@H+](CCSc1ccccc1)Cc1ccoc1 ZINC000079618586 135397470 /nfs/dbraw/zinc/39/74/70/135397470.db2.gz BQISMCUHOQAYIG-UHFFFAOYSA-N 1 0 247.363 3.504 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000079618626 388540997 /nfs/dbraw/zinc/54/09/97/388540997.db2.gz JHKMIXFGASQXCG-HNNXBMFYSA-N 1 0 249.423 3.899 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000079618628 388540977 /nfs/dbraw/zinc/54/09/77/388540977.db2.gz JHKMIXFGASQXCG-OAHLLOKOSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSc2ccccc2)CC1 ZINC000079618659 388541976 /nfs/dbraw/zinc/54/19/76/388541976.db2.gz INBJJWFMJGGUSB-CQSZACIVSA-N 1 0 249.423 3.901 20 0 BHADRO C[C@H]1CCC[N@H+](CCSc2ccccc2)CC1 ZINC000079618663 388542494 /nfs/dbraw/zinc/54/24/94/388542494.db2.gz INBJJWFMJGGUSB-AWEZNQCLSA-N 1 0 249.423 3.901 20 0 BHADRO CCC[N@H+](CC)CCSc1ccccc1 ZINC000079618668 388541798 /nfs/dbraw/zinc/54/17/98/388541798.db2.gz NTFLCPHZRBXDRV-UHFFFAOYSA-N 1 0 223.385 3.511 20 0 BHADRO C[N@H+](CCSc1ccccc1)CC1CCCC1 ZINC000079618678 388542429 /nfs/dbraw/zinc/54/24/29/388542429.db2.gz FROBXHZNBRAUIG-UHFFFAOYSA-N 1 0 249.423 3.901 20 0 BHADRO CC[N@H+](CCSc1ccccc1)C(C)C ZINC000079618699 135397604 /nfs/dbraw/zinc/39/76/04/135397604.db2.gz RVJNTDNHZXGXCA-UHFFFAOYSA-N 1 0 223.385 3.509 20 0 BHADRO C[N@H+](CCSc1ccccc1)CC(C)(C)C ZINC000079618737 387578798 /nfs/dbraw/zinc/57/87/98/387578798.db2.gz CLMVGPSYIUBHCQ-UHFFFAOYSA-N 1 0 237.412 3.757 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618746 387579912 /nfs/dbraw/zinc/57/99/12/387579912.db2.gz FOEFTRBGFUEMFL-GFCCVEGCSA-N 1 0 223.385 3.509 20 0 BHADRO CC[C@H](C)[N@H+](C)CCSc1ccccc1 ZINC000079618750 387578946 /nfs/dbraw/zinc/57/89/46/387578946.db2.gz FOEFTRBGFUEMFL-LBPRGKRZSA-N 1 0 223.385 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000079618764 387579828 /nfs/dbraw/zinc/57/98/28/387579828.db2.gz CSUNNDQCKIFGTP-CYBMUJFWSA-N 1 0 235.396 3.653 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000079618767 387579364 /nfs/dbraw/zinc/57/93/64/387579364.db2.gz CSUNNDQCKIFGTP-ZDUSSCGKSA-N 1 0 235.396 3.653 20 0 BHADRO CC1(C)CCC[N@@H+]1CCSc1ccccc1 ZINC000079618788 387579294 /nfs/dbraw/zinc/57/92/94/387579294.db2.gz IVXQFVQIRKMYBP-UHFFFAOYSA-N 1 0 235.396 3.653 20 0 BHADRO CCC[N@H+](CCSc1ccccc1)C1CC1 ZINC000079618826 388541736 /nfs/dbraw/zinc/54/17/36/388541736.db2.gz NKSSUKDOQUEBJW-UHFFFAOYSA-N 1 0 235.396 3.653 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCSc1ccccc1 ZINC000079618947 388540394 /nfs/dbraw/zinc/54/03/94/388540394.db2.gz FVVBBLPUIUPFPX-CYBMUJFWSA-N 1 0 237.412 3.757 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCSc1ccccc1 ZINC000079618951 388541791 /nfs/dbraw/zinc/54/17/91/388541791.db2.gz FVVBBLPUIUPFPX-ZDUSSCGKSA-N 1 0 237.412 3.757 20 0 BHADRO C[N@H+](CCSc1ccccc1)CC1CCC1 ZINC000079618954 134391148 /nfs/dbraw/zinc/39/11/48/134391148.db2.gz KNJUTNHSUOOSQP-UHFFFAOYSA-N 1 0 235.396 3.511 20 0 BHADRO CC[N@H+](CCSc1ccccc1)CC1CC1 ZINC000079618963 388542435 /nfs/dbraw/zinc/54/24/35/388542435.db2.gz HGJFRXJXZCRPAS-UHFFFAOYSA-N 1 0 235.396 3.511 20 0 BHADRO CCC(C)(C)[N@H+](C)CCSc1ccccc1 ZINC000079618965 388542099 /nfs/dbraw/zinc/54/20/99/388542099.db2.gz GEURDVJABNYXNO-UHFFFAOYSA-N 1 0 237.412 3.899 20 0 BHADRO CCC[N@H+](CCSc1ccccc1)CC1CC1 ZINC000079618998 388541648 /nfs/dbraw/zinc/54/16/48/388541648.db2.gz KEUAKJPDDQLNJO-UHFFFAOYSA-N 1 0 249.423 3.901 20 0 BHADRO CC[N@H+](CCSc1ccccc1)CC(C)C ZINC000079619002 388541827 /nfs/dbraw/zinc/54/18/27/388541827.db2.gz KGWFJKYGNDCZJW-UHFFFAOYSA-N 1 0 237.412 3.757 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccncc1 ZINC000079620089 384508372 /nfs/dbraw/zinc/50/83/72/384508372.db2.gz BUZHYSXTGZMDIN-LBPRGKRZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccncc1 ZINC000079620092 384509456 /nfs/dbraw/zinc/50/94/56/384509456.db2.gz BUZHYSXTGZMDIN-GFCCVEGCSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccccn1 ZINC000079620139 384509578 /nfs/dbraw/zinc/50/95/78/384509578.db2.gz RNMSEXIJCKPQIJ-LBPRGKRZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccccn1 ZINC000079620140 175859981 /nfs/dbraw/zinc/85/99/81/175859981.db2.gz RNMSEXIJCKPQIJ-GFCCVEGCSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1cccnc1 ZINC000079620200 384509669 /nfs/dbraw/zinc/50/96/69/384509669.db2.gz ZWJPKOOGMXEJJS-LBPRGKRZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1cccnc1 ZINC000079620203 175859973 /nfs/dbraw/zinc/85/99/73/175859973.db2.gz ZWJPKOOGMXEJJS-GFCCVEGCSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)COCCC[NH2+]C1CCC(C)(C)CC1 ZINC000079620718 388541818 /nfs/dbraw/zinc/54/18/18/388541818.db2.gz ZGIQKAFOGBVMBI-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000079626918 370681132 /nfs/dbraw/zinc/68/11/32/370681132.db2.gz WJSMROXVNVEMJO-AWEZNQCLSA-N 1 0 243.394 3.885 20 0 BHADRO CC1(C)CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000079626919 370681120 /nfs/dbraw/zinc/68/11/20/370681120.db2.gz WJSMROXVNVEMJO-CQSZACIVSA-N 1 0 243.394 3.885 20 0 BHADRO CC1(C)CCC([NH2+]CCOc2ccccc2)CC1 ZINC000079653061 388541699 /nfs/dbraw/zinc/54/16/99/388541699.db2.gz PRPAVDZWNOQQGN-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC(C)CCOCC[NH2+]C1CCC(C)(C)CC1 ZINC000079653681 325462517 /nfs/dbraw/zinc/46/25/17/325462517.db2.gz QPRDSAIAYLNVMU-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CCC([NH2+]CCOC2CCCC2)CC1 ZINC000079655104 388541925 /nfs/dbraw/zinc/54/19/25/388541925.db2.gz QWKKVVISRLAFGO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000079675579 135344120 /nfs/dbraw/zinc/34/41/20/135344120.db2.gz KPYDVRYFRFADJZ-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000079675583 135344222 /nfs/dbraw/zinc/34/42/22/135344222.db2.gz KPYDVRYFRFADJZ-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]C2CCC(C)(C)CC2)cn1 ZINC000079675667 135344369 /nfs/dbraw/zinc/34/43/69/135344369.db2.gz JQAANPCZFUDDMO-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+]C2CCC(C)(C)CC2)cn1 ZINC000079675669 135344602 /nfs/dbraw/zinc/34/46/02/135344602.db2.gz JQAANPCZFUDDMO-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000079676295 388543761 /nfs/dbraw/zinc/54/37/61/388543761.db2.gz APYXLOVJXKPUFD-LBPRGKRZSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000079676297 388543726 /nfs/dbraw/zinc/54/37/26/388543726.db2.gz APYXLOVJXKPUFD-GFCCVEGCSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CCO1 ZINC000079676613 135397521 /nfs/dbraw/zinc/39/75/21/135397521.db2.gz UJESSIJXQMHTDG-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CCO1 ZINC000079676616 536178250 /nfs/dbraw/zinc/17/82/50/536178250.db2.gz UJESSIJXQMHTDG-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CCO1 ZINC000079676620 135397142 /nfs/dbraw/zinc/39/71/42/135397142.db2.gz UJESSIJXQMHTDG-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CCO1 ZINC000079676623 135397160 /nfs/dbraw/zinc/39/71/60/135397160.db2.gz UJESSIJXQMHTDG-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079677239 325462699 /nfs/dbraw/zinc/46/26/99/325462699.db2.gz FWEZCTSRCMRWLN-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079677242 325462693 /nfs/dbraw/zinc/46/26/93/325462693.db2.gz FWEZCTSRCMRWLN-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079677244 325462860 /nfs/dbraw/zinc/46/28/60/325462860.db2.gz FWEZCTSRCMRWLN-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079677248 388543360 /nfs/dbraw/zinc/54/33/60/388543360.db2.gz FWEZCTSRCMRWLN-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079677969 490456706 /nfs/dbraw/zinc/45/67/06/490456706.db2.gz IIIBTIZPVNJURI-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079677971 490455748 /nfs/dbraw/zinc/45/57/48/490455748.db2.gz IIIBTIZPVNJURI-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079677973 490457517 /nfs/dbraw/zinc/45/75/17/490457517.db2.gz IIIBTIZPVNJURI-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079677978 490457643 /nfs/dbraw/zinc/45/76/43/490457643.db2.gz IIIBTIZPVNJURI-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000079707977 517816647 /nfs/dbraw/zinc/81/66/47/517816647.db2.gz KAPBXORPRYVNIN-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000079707985 388544561 /nfs/dbraw/zinc/54/45/61/388544561.db2.gz KAPBXORPRYVNIN-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000079709614 325464384 /nfs/dbraw/zinc/46/43/84/325464384.db2.gz YPMVUSVIWMMBNE-GJZGRUSLSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000079709619 388544936 /nfs/dbraw/zinc/54/49/36/388544936.db2.gz YPMVUSVIWMMBNE-CABCVRRESA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000079709625 325464680 /nfs/dbraw/zinc/46/46/80/325464680.db2.gz YPMVUSVIWMMBNE-LSDHHAIUSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000079709634 387620678 /nfs/dbraw/zinc/62/06/78/387620678.db2.gz YPMVUSVIWMMBNE-HUUCEWRRSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000079710062 135397294 /nfs/dbraw/zinc/39/72/94/135397294.db2.gz OHLTZHARHRYDFV-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000079710067 135397417 /nfs/dbraw/zinc/39/74/17/135397417.db2.gz OHLTZHARHRYDFV-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000079710071 135397333 /nfs/dbraw/zinc/39/73/33/135397333.db2.gz OHLTZHARHRYDFV-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000079710075 135397586 /nfs/dbraw/zinc/39/75/86/135397586.db2.gz OHLTZHARHRYDFV-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000079710091 325464586 /nfs/dbraw/zinc/46/45/86/325464586.db2.gz KLZAKOXJOKBEDJ-BBRMVZONSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000079710095 388544683 /nfs/dbraw/zinc/54/46/83/388544683.db2.gz KLZAKOXJOKBEDJ-XJKSGUPXSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000079710100 325464794 /nfs/dbraw/zinc/46/47/94/325464794.db2.gz KLZAKOXJOKBEDJ-CJNGLKHVSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000079710107 388544915 /nfs/dbraw/zinc/54/49/15/388544915.db2.gz KLZAKOXJOKBEDJ-CZUORRHYSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)COC)c1ccccc1 ZINC000079710492 135397598 /nfs/dbraw/zinc/39/75/98/135397598.db2.gz JEYGAFQOBLEYIS-GJZGRUSLSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](CC)COC)c1ccccc1 ZINC000079710497 135397313 /nfs/dbraw/zinc/39/73/13/135397313.db2.gz JEYGAFQOBLEYIS-LSDHHAIUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)COC)c1ccccc1 ZINC000079710504 135397639 /nfs/dbraw/zinc/39/76/39/135397639.db2.gz JEYGAFQOBLEYIS-CABCVRRESA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H](CC)COC)c1ccccc1 ZINC000079710508 135397167 /nfs/dbraw/zinc/39/71/67/135397167.db2.gz JEYGAFQOBLEYIS-HUUCEWRRSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000079710599 384511134 /nfs/dbraw/zinc/51/11/34/384511134.db2.gz PQYSPLLJRBJYJS-AAEUAGOBSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000079710605 384512124 /nfs/dbraw/zinc/51/21/24/384512124.db2.gz PQYSPLLJRBJYJS-WCQYABFASA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000079710611 384511508 /nfs/dbraw/zinc/51/15/08/384511508.db2.gz PQYSPLLJRBJYJS-YPMHNXCESA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000079710616 384511368 /nfs/dbraw/zinc/51/13/68/384511368.db2.gz PQYSPLLJRBJYJS-DGCLKSJQSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000079736404 388545848 /nfs/dbraw/zinc/54/58/48/388545848.db2.gz JDVQBLANYVSSKJ-GJZGRUSLSA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000079736406 388545493 /nfs/dbraw/zinc/54/54/93/388545493.db2.gz JDVQBLANYVSSKJ-LSDHHAIUSA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000079736410 387633748 /nfs/dbraw/zinc/63/37/48/387633748.db2.gz JDVQBLANYVSSKJ-CABCVRRESA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000079736416 323674480 /nfs/dbraw/zinc/67/44/80/323674480.db2.gz JDVQBLANYVSSKJ-HUUCEWRRSA-N 1 0 249.398 3.687 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H](CC)COC)cc1 ZINC000079737087 325465410 /nfs/dbraw/zinc/46/54/10/325465410.db2.gz YMEKBLLGQPPSBJ-CJNGLKHVSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H](CC)COC)cc1 ZINC000079737089 325465542 /nfs/dbraw/zinc/46/55/42/325465542.db2.gz YMEKBLLGQPPSBJ-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@H](CC)COC)cc1 ZINC000079737092 323674734 /nfs/dbraw/zinc/67/47/34/323674734.db2.gz YMEKBLLGQPPSBJ-CZUORRHYSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@H](CC)COC)cc1 ZINC000079737095 387634971 /nfs/dbraw/zinc/63/49/71/387634971.db2.gz YMEKBLLGQPPSBJ-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@@H](CC)COC)cc1 ZINC000079737224 135397181 /nfs/dbraw/zinc/39/71/81/135397181.db2.gz NSIPDQWGEYJWRC-JKSUJKDBSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@@H](CC)COC)cc1 ZINC000079737229 135397594 /nfs/dbraw/zinc/39/75/94/135397594.db2.gz NSIPDQWGEYJWRC-HOTGVXAUSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@H](CC)COC)cc1 ZINC000079737233 135397585 /nfs/dbraw/zinc/39/75/85/135397585.db2.gz NSIPDQWGEYJWRC-HZPDHXFCSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@H](CC)COC)cc1 ZINC000079737237 135397229 /nfs/dbraw/zinc/39/72/29/135397229.db2.gz NSIPDQWGEYJWRC-CVEARBPZSA-N 1 0 249.398 3.715 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000079795781 325466826 /nfs/dbraw/zinc/46/68/26/325466826.db2.gz ZBCXBLCZXJHRPE-JTQLQIEISA-N 1 0 225.282 3.512 20 0 BHADRO C[C@H](c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000079795785 388546383 /nfs/dbraw/zinc/54/63/83/388546383.db2.gz ZBCXBLCZXJHRPE-SNVBAGLBSA-N 1 0 225.282 3.512 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1csc(C(C)C)n1 ZINC000079863709 345046345 /nfs/dbraw/zinc/04/63/45/345046345.db2.gz MRZXYHJJSANKRY-LLVKDONJSA-N 1 0 240.416 3.887 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1csc(C(C)C)n1 ZINC000079863712 345046472 /nfs/dbraw/zinc/04/64/72/345046472.db2.gz MRZXYHJJSANKRY-NSHDSACASA-N 1 0 240.416 3.887 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000079876257 135363101 /nfs/dbraw/zinc/36/31/01/135363101.db2.gz GKBPYNRLTMDGAU-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000079876259 135362946 /nfs/dbraw/zinc/36/29/46/135362946.db2.gz GKBPYNRLTMDGAU-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079970466 325470663 /nfs/dbraw/zinc/47/06/63/325470663.db2.gz COGVELJJXIUVLX-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079970470 388551066 /nfs/dbraw/zinc/55/10/66/388551066.db2.gz COGVELJJXIUVLX-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC000079970761 325470702 /nfs/dbraw/zinc/47/07/02/325470702.db2.gz NLCJNIKIZDXZHA-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC000079970764 323781853 /nfs/dbraw/zinc/78/18/53/323781853.db2.gz NLCJNIKIZDXZHA-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000079971546 176893863 /nfs/dbraw/zinc/89/38/63/176893863.db2.gz POVJYPQAQGSMEK-QWHCGFSZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000079971550 384523840 /nfs/dbraw/zinc/52/38/40/384523840.db2.gz POVJYPQAQGSMEK-CHWSQXEVSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000079971554 176919341 /nfs/dbraw/zinc/91/93/41/176919341.db2.gz POVJYPQAQGSMEK-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000079971559 175924188 /nfs/dbraw/zinc/92/41/88/175924188.db2.gz POVJYPQAQGSMEK-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000079971677 384523629 /nfs/dbraw/zinc/52/36/29/384523629.db2.gz GPSBQYFOEGPJMU-GXTWGEPZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000079971683 384524040 /nfs/dbraw/zinc/52/40/40/384524040.db2.gz GPSBQYFOEGPJMU-TZMCWYRMSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000079971688 384523764 /nfs/dbraw/zinc/52/37/64/384523764.db2.gz GPSBQYFOEGPJMU-JSGCOSHPSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000079971692 384523305 /nfs/dbraw/zinc/52/33/05/384523305.db2.gz GPSBQYFOEGPJMU-OCCSQVGLSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)COCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079972030 325470509 /nfs/dbraw/zinc/47/05/09/325470509.db2.gz PPEXUZBFIOOXIW-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)COCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079972033 388550883 /nfs/dbraw/zinc/55/08/83/388550883.db2.gz PPEXUZBFIOOXIW-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccco1 ZINC000079973231 388551070 /nfs/dbraw/zinc/55/10/70/388551070.db2.gz QWPRSDLXAMAXRH-NWDGAFQWSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccco1 ZINC000079973234 388550612 /nfs/dbraw/zinc/55/06/12/388550612.db2.gz QWPRSDLXAMAXRH-VXGBXAGGSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccco1 ZINC000079973239 325470693 /nfs/dbraw/zinc/47/06/93/325470693.db2.gz QWPRSDLXAMAXRH-RYUDHWBXSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccco1 ZINC000079973243 325470660 /nfs/dbraw/zinc/47/06/60/325470660.db2.gz QWPRSDLXAMAXRH-NEPJUHHUSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079974608 636861823 /nfs/dbraw/zinc/86/18/23/636861823.db2.gz DDLGMMDTEZIKEW-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079974611 644223331 /nfs/dbraw/zinc/22/33/31/644223331.db2.gz DDLGMMDTEZIKEW-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079974614 644223769 /nfs/dbraw/zinc/22/37/69/644223769.db2.gz DDLGMMDTEZIKEW-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079974618 644222905 /nfs/dbraw/zinc/22/29/05/644222905.db2.gz DDLGMMDTEZIKEW-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000079977539 325470626 /nfs/dbraw/zinc/47/06/26/325470626.db2.gz UGIGXRVLMQJTOL-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000079977542 388550567 /nfs/dbraw/zinc/55/05/67/388550567.db2.gz UGIGXRVLMQJTOL-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000079979267 325470946 /nfs/dbraw/zinc/47/09/46/325470946.db2.gz BALFMPKMIPHEGU-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000079979269 325470985 /nfs/dbraw/zinc/47/09/85/325470985.db2.gz BALFMPKMIPHEGU-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[N@H+](C)Cc1csc2ccccc12 ZINC000079989658 136374915 /nfs/dbraw/zinc/37/49/15/136374915.db2.gz KMXMVPXBKRJBDT-UHFFFAOYSA-N 1 0 219.353 3.742 20 0 BHADRO CCC[C@@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000080017702 345079261 /nfs/dbraw/zinc/07/92/61/345079261.db2.gz JFPCHGRQJKSCRE-MRXNPFEDSA-N 1 0 246.398 3.526 20 0 BHADRO CCC[C@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000080017707 345079284 /nfs/dbraw/zinc/07/92/84/345079284.db2.gz JFPCHGRQJKSCRE-INIZCTEOSA-N 1 0 246.398 3.526 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000080026286 136374977 /nfs/dbraw/zinc/37/49/77/136374977.db2.gz SUIIKDPKIGFYAA-MRXNPFEDSA-N 1 0 240.350 3.660 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000080026291 136374966 /nfs/dbraw/zinc/37/49/66/136374966.db2.gz SUIIKDPKIGFYAA-INIZCTEOSA-N 1 0 240.350 3.660 20 0 BHADRO c1ccc2cc(CC[NH+]3CCCCC3)ccc2c1 ZINC000080081438 345094958 /nfs/dbraw/zinc/09/49/58/345094958.db2.gz DOLHTTCJDYKXLY-UHFFFAOYSA-N 1 0 239.362 3.868 20 0 BHADRO CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000080115699 388552832 /nfs/dbraw/zinc/55/28/32/388552832.db2.gz JZGCYRCDAVZJTO-UHFFFAOYSA-N 1 0 223.319 3.708 20 0 BHADRO c1ccc2c(N[C@H]3CC=CCC3)cc[nH+]c2c1 ZINC000080120378 388553131 /nfs/dbraw/zinc/55/31/31/388553131.db2.gz GEIJUQMJIOTSHU-LBPRGKRZSA-N 1 0 224.307 3.755 20 0 BHADRO c1ccc2c(N[C@@H]3CC=CCC3)cc[nH+]c2c1 ZINC000080120385 388553124 /nfs/dbraw/zinc/55/31/24/388553124.db2.gz GEIJUQMJIOTSHU-GFCCVEGCSA-N 1 0 224.307 3.755 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000080121976 370728640 /nfs/dbraw/zinc/72/86/40/370728640.db2.gz XVQLRGVVNPLMOR-WDEREUQCSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000080121983 370728362 /nfs/dbraw/zinc/72/83/62/370728362.db2.gz XVQLRGVVNPLMOR-QWRGUYRKSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000080121988 370728648 /nfs/dbraw/zinc/72/86/48/370728648.db2.gz XVQLRGVVNPLMOR-GHMZBOCLSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000080121994 370728809 /nfs/dbraw/zinc/72/88/09/370728809.db2.gz XVQLRGVVNPLMOR-MNOVXSKESA-N 1 0 244.338 3.703 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC=CCC2)s1 ZINC000080122260 323824806 /nfs/dbraw/zinc/82/48/06/323824806.db2.gz QRWVWVCGIAOECP-NSHDSACASA-N 1 0 221.369 3.509 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC=CCC2)s1 ZINC000080122267 323824875 /nfs/dbraw/zinc/82/48/75/323824875.db2.gz QRWVWVCGIAOECP-LLVKDONJSA-N 1 0 221.369 3.509 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080122283 387939728 /nfs/dbraw/zinc/93/97/28/387939728.db2.gz YFIWHLRFQKLOOJ-HNNXBMFYSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080122292 387939357 /nfs/dbraw/zinc/93/93/57/387939357.db2.gz YFIWHLRFQKLOOJ-OAHLLOKOSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080122406 388552925 /nfs/dbraw/zinc/55/29/25/388552925.db2.gz GCTVZARSZXNHCS-HNNXBMFYSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080122412 388552668 /nfs/dbraw/zinc/55/26/68/388552668.db2.gz GCTVZARSZXNHCS-OAHLLOKOSA-N 1 0 215.340 3.502 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080122418 388552822 /nfs/dbraw/zinc/55/28/22/388552822.db2.gz AOPNCVUZKJDODS-HNNXBMFYSA-N 1 0 245.366 3.672 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080122424 325473795 /nfs/dbraw/zinc/47/37/95/325473795.db2.gz AOPNCVUZKJDODS-OAHLLOKOSA-N 1 0 245.366 3.672 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000080122520 388552911 /nfs/dbraw/zinc/55/29/11/388552911.db2.gz WEJZDTMVTZUSCM-LBPRGKRZSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000080122527 323825331 /nfs/dbraw/zinc/82/53/31/323825331.db2.gz WEJZDTMVTZUSCM-GFCCVEGCSA-N 1 0 221.731 3.538 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000080122853 388552804 /nfs/dbraw/zinc/55/28/04/388552804.db2.gz WFCZJKRZBTXCLL-HNNXBMFYSA-N 1 0 245.366 3.672 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000080122861 325473759 /nfs/dbraw/zinc/47/37/59/325473759.db2.gz WFCZJKRZBTXCLL-OAHLLOKOSA-N 1 0 245.366 3.672 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CC=CCC1 ZINC000080122877 135367144 /nfs/dbraw/zinc/36/71/44/135367144.db2.gz UQUOQCRDLCNAIT-ZDUSSCGKSA-N 1 0 227.307 3.631 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC=CCC1 ZINC000080122880 135367348 /nfs/dbraw/zinc/36/73/48/135367348.db2.gz UQUOQCRDLCNAIT-CYBMUJFWSA-N 1 0 227.307 3.631 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080122919 388552853 /nfs/dbraw/zinc/55/28/53/388552853.db2.gz RUSQOIBHYVWYDQ-HNNXBMFYSA-N 1 0 245.366 3.674 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080122923 325474018 /nfs/dbraw/zinc/47/40/18/325474018.db2.gz RUSQOIBHYVWYDQ-OAHLLOKOSA-N 1 0 245.366 3.674 20 0 BHADRO Fc1cc(C[NH2+][C@H]2CC=CCC2)ccc1Cl ZINC000080122931 388552661 /nfs/dbraw/zinc/55/26/61/388552661.db2.gz VCILLLYASQGYIG-NSHDSACASA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cc(C[NH2+][C@@H]2CC=CCC2)ccc1Cl ZINC000080122933 388552806 /nfs/dbraw/zinc/55/28/06/388552806.db2.gz VCILLLYASQGYIG-LLVKDONJSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+][C@H]1CC=CCC1 ZINC000080122969 388553083 /nfs/dbraw/zinc/55/30/83/388553083.db2.gz PHLXCDCXFKKURC-JTQLQIEISA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+][C@@H]1CC=CCC1 ZINC000080122975 388553284 /nfs/dbraw/zinc/55/32/84/388553284.db2.gz PHLXCDCXFKKURC-SNVBAGLBSA-N 1 0 239.721 3.677 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC=CCC2)o1 ZINC000080123096 636812828 /nfs/dbraw/zinc/81/28/28/636812828.db2.gz PZTWVVGQYAGDJE-DYEKYZERSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC=CCC2)o1 ZINC000080123103 636811829 /nfs/dbraw/zinc/81/18/29/636811829.db2.gz PZTWVVGQYAGDJE-MBNYWOFBSA-N 1 0 231.339 3.601 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC=CCC2)c1C ZINC000080123266 387942737 /nfs/dbraw/zinc/94/27/37/387942737.db2.gz OFDAADSBHSQMMH-HNNXBMFYSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC=CCC2)c1C ZINC000080123274 387942055 /nfs/dbraw/zinc/94/20/55/387942055.db2.gz OFDAADSBHSQMMH-OAHLLOKOSA-N 1 0 215.340 3.502 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC=CCC2)s1 ZINC000080123340 180580526 /nfs/dbraw/zinc/58/05/26/180580526.db2.gz RAELPJKUZXPMOI-VIFPVBQESA-N 1 0 227.760 3.600 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC=CCC2)s1 ZINC000080123347 384531656 /nfs/dbraw/zinc/53/16/56/384531656.db2.gz RAELPJKUZXPMOI-SECBINFHSA-N 1 0 227.760 3.600 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000080123359 388552795 /nfs/dbraw/zinc/55/27/95/388552795.db2.gz TXEHVLWKYCTQRC-HNNXBMFYSA-N 1 0 245.366 3.672 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000080123366 388553078 /nfs/dbraw/zinc/55/30/78/388553078.db2.gz TXEHVLWKYCTQRC-OAHLLOKOSA-N 1 0 245.366 3.672 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000080123462 325474009 /nfs/dbraw/zinc/47/40/09/325474009.db2.gz CIOGBBXOOXVVMQ-ZDUSSCGKSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000080123468 325473895 /nfs/dbraw/zinc/47/38/95/325473895.db2.gz CIOGBBXOOXVVMQ-CYBMUJFWSA-N 1 0 221.731 3.538 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000080123570 370728290 /nfs/dbraw/zinc/72/82/90/370728290.db2.gz GJKNCKIWJQTAHN-HNNXBMFYSA-N 1 0 245.366 3.674 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000080123574 370728453 /nfs/dbraw/zinc/72/84/53/370728453.db2.gz GJKNCKIWJQTAHN-OAHLLOKOSA-N 1 0 245.366 3.674 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC=CCC2)cc1C ZINC000080123628 325474015 /nfs/dbraw/zinc/47/40/15/325474015.db2.gz BIILZQABZKTXAO-INIZCTEOSA-N 1 0 229.367 3.810 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC=CCC2)cc1C ZINC000080123633 387941897 /nfs/dbraw/zinc/94/18/97/387941897.db2.gz BIILZQABZKTXAO-MRXNPFEDSA-N 1 0 229.367 3.810 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC=CCC2)c(C)c1 ZINC000080123792 388552905 /nfs/dbraw/zinc/55/29/05/388552905.db2.gz UGVAFDRODPIWKD-HNNXBMFYSA-N 1 0 229.367 3.810 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC=CCC2)c(C)c1 ZINC000080123796 325473989 /nfs/dbraw/zinc/47/39/89/325473989.db2.gz UGVAFDRODPIWKD-OAHLLOKOSA-N 1 0 229.367 3.810 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=CCC2)cc1C ZINC000080123803 387941370 /nfs/dbraw/zinc/94/13/70/387941370.db2.gz IOOUDCVFLLGGIV-HNNXBMFYSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1C ZINC000080123808 388553291 /nfs/dbraw/zinc/55/32/91/388553291.db2.gz IOOUDCVFLLGGIV-OAHLLOKOSA-N 1 0 215.340 3.502 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080124030 387941084 /nfs/dbraw/zinc/94/10/84/387941084.db2.gz DKBREOWILWLJRJ-ZDUSSCGKSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080124038 323826431 /nfs/dbraw/zinc/82/64/31/323826431.db2.gz DKBREOWILWLJRJ-CYBMUJFWSA-N 1 0 221.731 3.538 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=CCC2)c(C)c1 ZINC000080124127 325474000 /nfs/dbraw/zinc/47/40/00/325474000.db2.gz BJODVKBSNPLQGN-HNNXBMFYSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=CCC2)c(C)c1 ZINC000080124133 388553274 /nfs/dbraw/zinc/55/32/74/388553274.db2.gz BJODVKBSNPLQGN-OAHLLOKOSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)s1 ZINC000080226632 325476705 /nfs/dbraw/zinc/47/67/05/325476705.db2.gz XSILJMPWHSJIHY-GFCCVEGCSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccccc2)s1 ZINC000080226633 388555849 /nfs/dbraw/zinc/55/58/49/388555849.db2.gz XSILJMPWHSJIHY-LBPRGKRZSA-N 1 0 245.391 3.777 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC=CCC2)s1 ZINC000080227413 323850737 /nfs/dbraw/zinc/85/07/37/323850737.db2.gz WTTQOXSNVXIFBK-OCCSQVGLSA-N 1 0 249.423 3.933 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC=CCC2)s1 ZINC000080227415 388001750 /nfs/dbraw/zinc/00/17/50/388001750.db2.gz WTTQOXSNVXIFBK-JSGCOSHPSA-N 1 0 249.423 3.933 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000080227418 323850486 /nfs/dbraw/zinc/85/04/86/323850486.db2.gz WTTQOXSNVXIFBK-TZMCWYRMSA-N 1 0 249.423 3.933 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000080227422 323850445 /nfs/dbraw/zinc/85/04/45/323850445.db2.gz WTTQOXSNVXIFBK-GXTWGEPZSA-N 1 0 249.423 3.933 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccco2)s1 ZINC000080240267 388556044 /nfs/dbraw/zinc/55/60/44/388556044.db2.gz BAAVSDDTPOCFKV-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccco2)s1 ZINC000080240272 388556162 /nfs/dbraw/zinc/55/61/62/388556162.db2.gz BAAVSDDTPOCFKV-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccco2)s1 ZINC000080240275 325476883 /nfs/dbraw/zinc/47/68/83/325476883.db2.gz BAAVSDDTPOCFKV-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccco2)s1 ZINC000080240278 388555666 /nfs/dbraw/zinc/55/56/66/388555666.db2.gz BAAVSDDTPOCFKV-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000080248229 345127537 /nfs/dbraw/zinc/12/75/37/345127537.db2.gz RCQVHAQGBOXSJP-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000080248231 345127189 /nfs/dbraw/zinc/12/71/89/345127189.db2.gz RCQVHAQGBOXSJP-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000080248234 345127587 /nfs/dbraw/zinc/12/75/87/345127587.db2.gz RCQVHAQGBOXSJP-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000080248238 345127265 /nfs/dbraw/zinc/12/72/65/345127265.db2.gz RCQVHAQGBOXSJP-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000080248257 388556039 /nfs/dbraw/zinc/55/60/39/388556039.db2.gz GTBBXHLBPFLXTF-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000080248260 388555679 /nfs/dbraw/zinc/55/56/79/388555679.db2.gz GTBBXHLBPFLXTF-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000080248265 388556313 /nfs/dbraw/zinc/55/63/13/388556313.db2.gz GTBBXHLBPFLXTF-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)o1 ZINC000080248267 325476794 /nfs/dbraw/zinc/47/67/94/325476794.db2.gz GTBBXHLBPFLXTF-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc(C[C@@H](C)Nc2cc[nH+]cc2C)s1 ZINC000080249365 325476849 /nfs/dbraw/zinc/47/68/49/325476849.db2.gz ZSBOWUOZBYTTDT-LLVKDONJSA-N 1 0 246.379 3.803 20 0 BHADRO Cc1ccc(C[C@H](C)Nc2cc[nH+]cc2C)s1 ZINC000080249370 388556201 /nfs/dbraw/zinc/55/62/01/388556201.db2.gz ZSBOWUOZBYTTDT-NSHDSACASA-N 1 0 246.379 3.803 20 0 BHADRO CC1CC([NH2+]Cc2csc3ccccc23)C1 ZINC000080249711 388555790 /nfs/dbraw/zinc/55/57/90/388555790.db2.gz DOAPFXRBVAVAGP-UHFFFAOYSA-N 1 0 231.364 3.789 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1nccs1 ZINC000080262295 135367951 /nfs/dbraw/zinc/36/79/51/135367951.db2.gz PBMPQNSRMGELIA-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1nccs1 ZINC000080262297 135368062 /nfs/dbraw/zinc/36/80/62/135368062.db2.gz PBMPQNSRMGELIA-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)c1nccs1 ZINC000080262300 535943202 /nfs/dbraw/zinc/94/32/02/535943202.db2.gz PBMPQNSRMGELIA-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1nccs1 ZINC000080262303 535808693 /nfs/dbraw/zinc/80/86/93/535808693.db2.gz PBMPQNSRMGELIA-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000080267500 384541709 /nfs/dbraw/zinc/54/17/09/384541709.db2.gz ICFROCDBFQPAEP-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000080267503 176682846 /nfs/dbraw/zinc/68/28/46/176682846.db2.gz ICFROCDBFQPAEP-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1nccs1)c1ccccc1 ZINC000080289636 384547790 /nfs/dbraw/zinc/54/77/90/384547790.db2.gz ICFROCDBFQPAEP-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1nccs1 ZINC000080289639 384546763 /nfs/dbraw/zinc/54/67/63/384546763.db2.gz ICFROCDBFQPAEP-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000080333943 325480061 /nfs/dbraw/zinc/48/00/61/325480061.db2.gz HVMVICATDGRATP-GFCCVEGCSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000080333947 388558297 /nfs/dbraw/zinc/55/82/97/388558297.db2.gz HVMVICATDGRATP-LBPRGKRZSA-N 1 0 230.355 3.692 20 0 BHADRO CCC[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000080393216 640411492 /nfs/dbraw/zinc/41/14/92/640411492.db2.gz JEAVCHYAMNLUON-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000080393221 640410903 /nfs/dbraw/zinc/41/09/03/640410903.db2.gz JEAVCHYAMNLUON-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000080425845 325480483 /nfs/dbraw/zinc/48/04/83/325480483.db2.gz VNKWOWMWTVRUDX-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000080425848 323875445 /nfs/dbraw/zinc/87/54/45/323875445.db2.gz VNKWOWMWTVRUDX-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000080426566 325480358 /nfs/dbraw/zinc/48/03/58/325480358.db2.gz YIHQWXDFTULFET-OCCSQVGLSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000080427372 325480367 /nfs/dbraw/zinc/48/03/67/325480367.db2.gz CIASOBGLYICZJU-MJBXVCDLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000080427379 325480587 /nfs/dbraw/zinc/48/05/87/325480587.db2.gz CIASOBGLYICZJU-BFHYXJOUSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080427383 135374581 /nfs/dbraw/zinc/37/45/81/135374581.db2.gz GHNVWWRGESVCPH-AGIUHOORSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000080427385 135374380 /nfs/dbraw/zinc/37/43/80/135374380.db2.gz GHNVWWRGESVCPH-AVGNSLFASA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080427389 135374283 /nfs/dbraw/zinc/37/42/83/135374283.db2.gz GHNVWWRGESVCPH-FRRDWIJNSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000080427392 135375013 /nfs/dbraw/zinc/37/50/13/135375013.db2.gz GHNVWWRGESVCPH-RWMBFGLXSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000080427851 325480619 /nfs/dbraw/zinc/48/06/19/325480619.db2.gz USOJEEKZUKHHAV-XNRPHZJLSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080428089 325480553 /nfs/dbraw/zinc/48/05/53/325480553.db2.gz TVFXHHXCDLOCNZ-YCPHGPKFSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080428097 323875877 /nfs/dbraw/zinc/87/58/77/323875877.db2.gz TVFXHHXCDLOCNZ-IJEWVQPXSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428979 388043226 /nfs/dbraw/zinc/04/32/26/388043226.db2.gz FWFVHMQOMXGIBQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428983 323876407 /nfs/dbraw/zinc/87/64/07/323876407.db2.gz FWFVHMQOMXGIBQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428986 323876814 /nfs/dbraw/zinc/87/68/14/323876814.db2.gz FWFVHMQOMXGIBQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428989 323876458 /nfs/dbraw/zinc/87/64/58/323876458.db2.gz FWFVHMQOMXGIBQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000080429674 325480947 /nfs/dbraw/zinc/48/09/47/325480947.db2.gz BXXRHZJPAXHKLS-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000080429685 325480709 /nfs/dbraw/zinc/48/07/09/325480709.db2.gz BXXRHZJPAXHKLS-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000080429690 325481002 /nfs/dbraw/zinc/48/10/02/325481002.db2.gz BXXRHZJPAXHKLS-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000080430424 490637895 /nfs/dbraw/zinc/63/78/95/490637895.db2.gz NQOYDIIZZJKOHN-SCVCMEIPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000080430435 490637872 /nfs/dbraw/zinc/63/78/72/490637872.db2.gz NQOYDIIZZJKOHN-JFGNBEQYSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000080432124 323876442 /nfs/dbraw/zinc/87/64/42/323876442.db2.gz LICGJCUMCLSXLM-SCVCMEIPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000080432132 368506504 /nfs/dbraw/zinc/50/65/04/368506504.db2.gz LICGJCUMCLSXLM-NHCYSSNCSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000080432136 388042908 /nfs/dbraw/zinc/04/29/08/388042908.db2.gz LICGJCUMCLSXLM-JFGNBEQYSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000080432142 368507440 /nfs/dbraw/zinc/50/74/40/368507440.db2.gz LICGJCUMCLSXLM-JBLDHEPKSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1OC ZINC000080434239 644260440 /nfs/dbraw/zinc/26/04/40/644260440.db2.gz SVSWWWMVUQREBL-GUTXKFCHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1OC ZINC000080434257 644260260 /nfs/dbraw/zinc/26/02/60/644260260.db2.gz SVSWWWMVUQREBL-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000080452938 535940671 /nfs/dbraw/zinc/94/06/71/535940671.db2.gz AMUNCUKQOHNKPN-BJJXKVORSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000080452944 135374244 /nfs/dbraw/zinc/37/42/44/135374244.db2.gz AMUNCUKQOHNKPN-NOLJZWGESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000080453450 135374583 /nfs/dbraw/zinc/37/45/83/135374583.db2.gz GPTHUMVNZAPWAF-VNHYZAJKSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000080453456 135374494 /nfs/dbraw/zinc/37/44/94/135374494.db2.gz GPTHUMVNZAPWAF-UMVBOHGHSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000080453571 325480931 /nfs/dbraw/zinc/48/09/31/325480931.db2.gz XOYQJBNZISQTPM-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000080453579 388559114 /nfs/dbraw/zinc/55/91/14/388559114.db2.gz XOYQJBNZISQTPM-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000080454318 323879376 /nfs/dbraw/zinc/87/93/76/323879376.db2.gz DFNXMRTYGTYTJI-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000080454321 325481009 /nfs/dbraw/zinc/48/10/09/325481009.db2.gz DFNXMRTYGTYTJI-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000080454325 325480856 /nfs/dbraw/zinc/48/08/56/325480856.db2.gz DFNXMRTYGTYTJI-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000080454328 388559734 /nfs/dbraw/zinc/55/97/34/388559734.db2.gz DFNXMRTYGTYTJI-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000080456373 325480897 /nfs/dbraw/zinc/48/08/97/325480897.db2.gz QXYPNNISSRTDTM-KXNHARMFSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000080456545 135374399 /nfs/dbraw/zinc/37/43/99/135374399.db2.gz XNBOPZUXYKBEQV-SCRDCRAPSA-N 1 0 233.355 3.622 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000080456550 135374868 /nfs/dbraw/zinc/37/48/68/135374868.db2.gz XNBOPZUXYKBEQV-OUCADQQQSA-N 1 0 233.355 3.622 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000080456553 325481296 /nfs/dbraw/zinc/48/12/96/325481296.db2.gz XNBOPZUXYKBEQV-SGMGOOAPSA-N 1 0 233.355 3.622 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000080457112 387992641 /nfs/dbraw/zinc/99/26/41/387992641.db2.gz WMPBFKCFWOXYTO-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000080457119 387992867 /nfs/dbraw/zinc/99/28/67/387992867.db2.gz WMPBFKCFWOXYTO-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080457123 387992261 /nfs/dbraw/zinc/99/22/61/387992261.db2.gz WMPBFKCFWOXYTO-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080457127 387992854 /nfs/dbraw/zinc/99/28/54/387992854.db2.gz WMPBFKCFWOXYTO-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000080457421 387991628 /nfs/dbraw/zinc/99/16/28/387991628.db2.gz INLMSWXUYJZSKA-DYEKYZERSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000080457424 387991441 /nfs/dbraw/zinc/99/14/41/387991441.db2.gz INLMSWXUYJZSKA-OBJOEFQTSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000080457427 135410049 /nfs/dbraw/zinc/41/00/49/135410049.db2.gz INLMSWXUYJZSKA-MBNYWOFBSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000080457432 387992378 /nfs/dbraw/zinc/99/23/78/387992378.db2.gz INLMSWXUYJZSKA-SGMGOOAPSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000080457453 388559120 /nfs/dbraw/zinc/55/91/20/388559120.db2.gz QYVMAIRMMRIRGP-VWYCJHECSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000080457459 325481182 /nfs/dbraw/zinc/48/11/82/325481182.db2.gz QYVMAIRMMRIRGP-OUAUKWLOSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000080458016 388559542 /nfs/dbraw/zinc/55/95/42/388559542.db2.gz NSRWHYYGSVQOQL-DUVNUKRYSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000080458023 388045619 /nfs/dbraw/zinc/04/56/19/388045619.db2.gz NSRWHYYGSVQOQL-NOLJZWGESA-N 1 0 231.383 3.704 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000080459344 388045971 /nfs/dbraw/zinc/04/59/71/388045971.db2.gz OAERRYOKJYAFOM-HIFRSBDPSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000080459346 323877796 /nfs/dbraw/zinc/87/77/96/323877796.db2.gz OAERRYOKJYAFOM-ZFWWWQNUSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000080459352 388046719 /nfs/dbraw/zinc/04/67/19/388046719.db2.gz OAERRYOKJYAFOM-UKRRQHHQSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000080459354 323878044 /nfs/dbraw/zinc/87/80/44/323878044.db2.gz OAERRYOKJYAFOM-DZGCQCFKSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000080459388 135409756 /nfs/dbraw/zinc/40/97/56/135409756.db2.gz VTDHDYUXXOVIBO-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000080459590 644264043 /nfs/dbraw/zinc/26/40/43/644264043.db2.gz SBMLRASBLIVCKV-SOUVJXGZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000080459599 644264443 /nfs/dbraw/zinc/26/44/43/644264443.db2.gz SBMLRASBLIVCKV-KKUMJFAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CCOc2cccc(C)c2)C1 ZINC000080460056 325481128 /nfs/dbraw/zinc/48/11/28/325481128.db2.gz UZXJAHPDSYVRIK-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)C1 ZINC000080460060 325481137 /nfs/dbraw/zinc/48/11/37/325481137.db2.gz UZXJAHPDSYVRIK-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000080460416 325481187 /nfs/dbraw/zinc/48/11/87/325481187.db2.gz YVRDDGWJXVXXBB-MFKMUULPSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000080460424 325481175 /nfs/dbraw/zinc/48/11/75/325481175.db2.gz YVRDDGWJXVXXBB-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000080460443 325481171 /nfs/dbraw/zinc/48/11/71/325481171.db2.gz ALBLZPVSTQHWJF-XOKHGSTOSA-N 1 0 243.394 3.712 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000080460603 325481222 /nfs/dbraw/zinc/48/12/22/325481222.db2.gz FXNJCYJCWNAART-GJZGRUSLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000080460962 388559759 /nfs/dbraw/zinc/55/97/59/388559759.db2.gz HAXNYHXOBSUNCV-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000080460968 325481335 /nfs/dbraw/zinc/48/13/35/325481335.db2.gz HAXNYHXOBSUNCV-IIAWOOMASA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080460994 388559726 /nfs/dbraw/zinc/55/97/26/388559726.db2.gz ULZDJXGYGNWKCR-XUJVJEKNSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080461000 323845137 /nfs/dbraw/zinc/84/51/37/323845137.db2.gz ULZDJXGYGNWKCR-TYNCELHUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000080461186 325481511 /nfs/dbraw/zinc/48/15/11/325481511.db2.gz VEGVHMXACLITSL-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000080461189 325481502 /nfs/dbraw/zinc/48/15/02/325481502.db2.gz VEGVHMXACLITSL-GXFFZTMASA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000080461191 325481562 /nfs/dbraw/zinc/48/15/62/325481562.db2.gz MLSLAWYOFBSPCB-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000080461198 325481510 /nfs/dbraw/zinc/48/15/10/325481510.db2.gz MLSLAWYOFBSPCB-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000080461204 325481619 /nfs/dbraw/zinc/48/16/19/325481619.db2.gz MLSLAWYOFBSPCB-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506394 388559660 /nfs/dbraw/zinc/55/96/60/388559660.db2.gz KTHGFARZUMICLH-UHFFFAOYSA-N 1 0 247.382 3.678 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506408 388559460 /nfs/dbraw/zinc/55/94/60/388559460.db2.gz CUQPPRINGWKSPA-UHFFFAOYSA-N 1 0 247.382 3.678 20 0 BHADRO CCCCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506442 323886398 /nfs/dbraw/zinc/88/63/98/323886398.db2.gz JPQIJUKABZMMFQ-UHFFFAOYSA-N 1 0 247.382 3.680 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506459 370773908 /nfs/dbraw/zinc/77/39/08/370773908.db2.gz GFIAZKQBEKJPSR-GFCCVEGCSA-N 1 0 247.382 3.678 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506463 370774023 /nfs/dbraw/zinc/77/40/23/370774023.db2.gz GFIAZKQBEKJPSR-LBPRGKRZSA-N 1 0 247.382 3.678 20 0 BHADRO CC(C)CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506597 388559573 /nfs/dbraw/zinc/55/95/73/388559573.db2.gz IRONRCKCDRMDCV-UHFFFAOYSA-N 1 0 247.382 3.536 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080508975 325481645 /nfs/dbraw/zinc/48/16/45/325481645.db2.gz HEFUCMPQQNWNMC-UHFFFAOYSA-N 1 0 247.382 3.536 20 0 BHADRO COc1ccc(C2CC[NH+](CC(C)C)CC2)cc1 ZINC000080630075 370803688 /nfs/dbraw/zinc/80/36/88/370803688.db2.gz DZUOZMURKYFXSK-UHFFFAOYSA-N 1 0 247.382 3.531 20 0 BHADRO C[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000080635663 345373845 /nfs/dbraw/zinc/37/38/45/345373845.db2.gz SKAJDGACZNJLFS-ZDUSSCGKSA-N 1 0 225.335 3.997 20 0 BHADRO Cc1nc(C)c(C[NH2+]C2(C)CCCCC2)s1 ZINC000080694376 135384227 /nfs/dbraw/zinc/38/42/27/135384227.db2.gz MWJVULXVJZGJAE-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000080713700 631385084 /nfs/dbraw/zinc/38/50/84/631385084.db2.gz MKZFLLBXGGWTPE-SNVBAGLBSA-N 1 0 240.416 3.818 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000080713704 644283645 /nfs/dbraw/zinc/28/36/45/644283645.db2.gz MKZFLLBXGGWTPE-JTQLQIEISA-N 1 0 240.416 3.818 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@@H](C)CCC(C)C)s1 ZINC000080713706 384442863 /nfs/dbraw/zinc/44/28/63/384442863.db2.gz FJZAZIJJKFITPL-JTQLQIEISA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@H](C)CCC(C)C)s1 ZINC000080713709 384443879 /nfs/dbraw/zinc/44/38/79/384443879.db2.gz FJZAZIJJKFITPL-SNVBAGLBSA-N 1 0 240.416 3.674 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1Cl ZINC000080773304 384518656 /nfs/dbraw/zinc/51/86/56/384518656.db2.gz XVGXWXPRXAKUCU-JTQLQIEISA-N 1 0 234.730 3.519 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1Cl ZINC000080773306 384519333 /nfs/dbraw/zinc/51/93/33/384519333.db2.gz XVGXWXPRXAKUCU-SNVBAGLBSA-N 1 0 234.730 3.519 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(Cl)c1 ZINC000080773309 384524078 /nfs/dbraw/zinc/52/40/78/384524078.db2.gz WRXLZPDBUQFHHD-JTQLQIEISA-N 1 0 234.730 3.519 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc(Cl)c1 ZINC000080773311 384523975 /nfs/dbraw/zinc/52/39/75/384523975.db2.gz WRXLZPDBUQFHHD-SNVBAGLBSA-N 1 0 234.730 3.519 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080773480 188312386 /nfs/dbraw/zinc/31/23/86/188312386.db2.gz SGBSQXQFMWZQNZ-HNNXBMFYSA-N 1 0 228.339 3.502 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080773482 384583396 /nfs/dbraw/zinc/58/33/96/384583396.db2.gz SGBSQXQFMWZQNZ-OAHLLOKOSA-N 1 0 228.339 3.502 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080773546 384582211 /nfs/dbraw/zinc/58/22/11/384582211.db2.gz SQJVPIFMFXBTOR-INIZCTEOSA-N 1 0 242.366 3.892 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080773549 384581962 /nfs/dbraw/zinc/58/19/62/384581962.db2.gz SQJVPIFMFXBTOR-MRXNPFEDSA-N 1 0 242.366 3.892 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)c1cc2ccccc2o1 ZINC000080773577 388000672 /nfs/dbraw/zinc/00/06/72/388000672.db2.gz DNQLAJOASQOYDQ-NSHDSACASA-N 1 0 240.306 3.612 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cc2ccccc2o1 ZINC000080773580 388000836 /nfs/dbraw/zinc/00/08/36/388000836.db2.gz DNQLAJOASQOYDQ-LLVKDONJSA-N 1 0 240.306 3.612 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cc[nH]c2)c(C)s1 ZINC000080773681 178228325 /nfs/dbraw/zinc/22/83/25/178228325.db2.gz YUWSXWCKNIKIFZ-SNVBAGLBSA-N 1 0 234.368 3.544 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cc[nH]c2)c(C)s1 ZINC000080773683 178250128 /nfs/dbraw/zinc/25/01/28/178250128.db2.gz YUWSXWCKNIKIFZ-JTQLQIEISA-N 1 0 234.368 3.544 20 0 BHADRO CC(C)(C)[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080778850 384583199 /nfs/dbraw/zinc/58/31/99/384583199.db2.gz SVQZDMIZJRTUDG-OAHLLOKOSA-N 1 0 242.366 3.892 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000080778853 384582664 /nfs/dbraw/zinc/58/26/64/384582664.db2.gz SVQZDMIZJRTUDG-HNNXBMFYSA-N 1 0 242.366 3.892 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(Cl)n1 ZINC000080848201 643113367 /nfs/dbraw/zinc/11/33/67/643113367.db2.gz WLIZHMRORMPPHP-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cccc(Cl)n1 ZINC000080848205 643112843 /nfs/dbraw/zinc/11/28/43/643112843.db2.gz WLIZHMRORMPPHP-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccnc(Cl)c1 ZINC000080848208 643112721 /nfs/dbraw/zinc/11/27/21/643112721.db2.gz DVGRLXYALHIARG-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccnc(Cl)c1 ZINC000080848212 643113299 /nfs/dbraw/zinc/11/32/99/643113299.db2.gz DVGRLXYALHIARG-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(Cl)nc1 ZINC000080848218 643113307 /nfs/dbraw/zinc/11/33/07/643113307.db2.gz QHKXCEZTHDDJEE-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc(Cl)nc1 ZINC000080848222 643114158 /nfs/dbraw/zinc/11/41/58/643114158.db2.gz QHKXCEZTHDDJEE-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cccnc1Cl ZINC000080848227 643493306 /nfs/dbraw/zinc/49/33/06/643493306.db2.gz KSBZCNJDSHVVEW-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cccnc1Cl ZINC000080848230 643494026 /nfs/dbraw/zinc/49/40/26/643494026.db2.gz KSBZCNJDSHVVEW-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1)C(C)C ZINC000080909166 487487037 /nfs/dbraw/zinc/48/70/37/487487037.db2.gz NQTNSYHFBYBBEB-UHFFFAOYSA-N 1 0 205.345 3.553 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(O)c1 ZINC000080922986 176020288 /nfs/dbraw/zinc/02/02/88/176020288.db2.gz XBFHTRXYIIWLDA-ZDUSSCGKSA-N 1 0 241.334 3.585 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)Cc1cccc(O)c1 ZINC000080922990 177038375 /nfs/dbraw/zinc/03/83/75/177038375.db2.gz XBFHTRXYIIWLDA-CYBMUJFWSA-N 1 0 241.334 3.585 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000080931737 388564320 /nfs/dbraw/zinc/56/43/20/388564320.db2.gz CTQDAHZVZAKZML-LBPRGKRZSA-N 1 0 221.344 3.575 20 0 BHADRO CCCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000080931740 388564369 /nfs/dbraw/zinc/56/43/69/388564369.db2.gz CTQDAHZVZAKZML-GFCCVEGCSA-N 1 0 221.344 3.575 20 0 BHADRO CC(C)(C[NH2+]CCC(F)(F)F)c1ccccc1 ZINC000080936999 538110572 /nfs/dbraw/zinc/11/05/72/538110572.db2.gz SQOJGAPVPRQSAU-UHFFFAOYSA-N 1 0 245.288 3.506 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)n1 ZINC000080961127 135384799 /nfs/dbraw/zinc/38/47/99/135384799.db2.gz VNYTUPRQEBBIBN-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081043736 491133917 /nfs/dbraw/zinc/13/39/17/491133917.db2.gz JSYLZAGAVNCHSM-KBPBESRZSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081043739 491133891 /nfs/dbraw/zinc/13/38/91/491133891.db2.gz JSYLZAGAVNCHSM-KGLIPLIRSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081043743 491133943 /nfs/dbraw/zinc/13/39/43/491133943.db2.gz JSYLZAGAVNCHSM-UONOGXRCSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081043746 491133903 /nfs/dbraw/zinc/13/39/03/491133903.db2.gz JSYLZAGAVNCHSM-ZIAGYGMSSA-N 1 0 249.398 3.508 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1F ZINC000081044008 388565453 /nfs/dbraw/zinc/56/54/53/388565453.db2.gz ATACBYSVHGNNAC-GFCCVEGCSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1F ZINC000081044010 342734107 /nfs/dbraw/zinc/73/41/07/342734107.db2.gz ATACBYSVHGNNAC-LBPRGKRZSA-N 1 0 223.335 3.516 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C(C)C)C1 ZINC000081044065 384015222 /nfs/dbraw/zinc/01/52/22/384015222.db2.gz ANMVGESUPDCCRW-MCIONIFRSA-N 1 0 211.393 3.837 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C(C)C)C1 ZINC000081044068 384015251 /nfs/dbraw/zinc/01/52/51/384015251.db2.gz ANMVGESUPDCCRW-MGPQQGTHSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000081044136 388565893 /nfs/dbraw/zinc/56/58/93/388565893.db2.gz DRNPAWCAQAMUDI-STQMWFEESA-N 1 0 205.345 3.629 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000081044140 325488927 /nfs/dbraw/zinc/48/89/27/325488927.db2.gz DRNPAWCAQAMUDI-OLZOCXBDSA-N 1 0 205.345 3.629 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000081044143 325488922 /nfs/dbraw/zinc/48/89/22/325488922.db2.gz DRNPAWCAQAMUDI-QWHCGFSZSA-N 1 0 205.345 3.629 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000081044146 388565814 /nfs/dbraw/zinc/56/58/14/388565814.db2.gz DRNPAWCAQAMUDI-CHWSQXEVSA-N 1 0 205.345 3.629 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000081044263 325489129 /nfs/dbraw/zinc/48/91/29/325489129.db2.gz YHNKUUBMAAAYEV-JTQLQIEISA-N 1 0 243.753 3.861 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000081044266 325488965 /nfs/dbraw/zinc/48/89/65/325488965.db2.gz YHNKUUBMAAAYEV-SNVBAGLBSA-N 1 0 243.753 3.861 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)C(C)C ZINC000081044302 325489081 /nfs/dbraw/zinc/48/90/81/325489081.db2.gz KJTCUYVTUFMTRR-GFCCVEGCSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@H](C)C(C)C ZINC000081044311 325489087 /nfs/dbraw/zinc/48/90/87/325489087.db2.gz KJTCUYVTUFMTRR-LBPRGKRZSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)C)c(C)c1 ZINC000081044367 322811770 /nfs/dbraw/zinc/81/17/70/322811770.db2.gz DMWFYWWDSDUBDP-CQSZACIVSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)C)c(C)c1 ZINC000081044369 322811835 /nfs/dbraw/zinc/81/18/35/322811835.db2.gz DMWFYWWDSDUBDP-AWEZNQCLSA-N 1 0 219.372 3.685 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000081044477 388565752 /nfs/dbraw/zinc/56/57/52/388565752.db2.gz CKSJONYADPVNPQ-RYUDHWBXSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000081044480 388565553 /nfs/dbraw/zinc/56/55/53/388565553.db2.gz CKSJONYADPVNPQ-NEPJUHHUSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000081044485 325489001 /nfs/dbraw/zinc/48/90/01/325489001.db2.gz CKSJONYADPVNPQ-NWDGAFQWSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000081044495 325488926 /nfs/dbraw/zinc/48/89/26/325488926.db2.gz CKSJONYADPVNPQ-VXGBXAGGSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000081044500 388565864 /nfs/dbraw/zinc/56/58/64/388565864.db2.gz GYDYBEDYOCACRK-SWLSCSKDSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000081044504 384018099 /nfs/dbraw/zinc/01/80/99/384018099.db2.gz GYDYBEDYOCACRK-IUODEOHRSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC000081044507 322811833 /nfs/dbraw/zinc/81/18/33/322811833.db2.gz GYDYBEDYOCACRK-WFASDCNBSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC000081044512 322811834 /nfs/dbraw/zinc/81/18/34/322811834.db2.gz GYDYBEDYOCACRK-DOMZBBRYSA-N 1 0 217.356 3.556 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081044598 325489174 /nfs/dbraw/zinc/48/91/74/325489174.db2.gz MLJFHTLNQPGKTJ-CYBMUJFWSA-N 1 0 219.372 3.631 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081044601 325488956 /nfs/dbraw/zinc/48/89/56/325488956.db2.gz MLJFHTLNQPGKTJ-ZDUSSCGKSA-N 1 0 219.372 3.631 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081044700 322811935 /nfs/dbraw/zinc/81/19/35/322811935.db2.gz AYLFXVDURHGPHR-STQMWFEESA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081044702 322812023 /nfs/dbraw/zinc/81/20/23/322812023.db2.gz AYLFXVDURHGPHR-OLZOCXBDSA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081044703 322811864 /nfs/dbraw/zinc/81/18/64/322811864.db2.gz AYLFXVDURHGPHR-QWHCGFSZSA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081044705 325488963 /nfs/dbraw/zinc/48/89/63/325488963.db2.gz AYLFXVDURHGPHR-CHWSQXEVSA-N 1 0 235.371 3.638 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000081044775 388566038 /nfs/dbraw/zinc/56/60/38/388566038.db2.gz CFFCIQDACGSCPD-JTQLQIEISA-N 1 0 243.753 3.861 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000081044780 325488984 /nfs/dbraw/zinc/48/89/84/325488984.db2.gz CFFCIQDACGSCPD-SNVBAGLBSA-N 1 0 243.753 3.861 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000081044799 388565609 /nfs/dbraw/zinc/56/56/09/388565609.db2.gz ZENRPHZCQSULCQ-NSHDSACASA-N 1 0 225.763 3.722 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000081044803 388566233 /nfs/dbraw/zinc/56/62/33/388566233.db2.gz ZENRPHZCQSULCQ-LLVKDONJSA-N 1 0 225.763 3.722 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081044850 388565831 /nfs/dbraw/zinc/56/58/31/388565831.db2.gz QXAKWIARULIZKK-LBPRGKRZSA-N 1 0 237.412 3.790 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081044851 388566047 /nfs/dbraw/zinc/56/60/47/388566047.db2.gz QXAKWIARULIZKK-GFCCVEGCSA-N 1 0 237.412 3.790 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)o1 ZINC000081044873 325489169 /nfs/dbraw/zinc/48/91/69/325489169.db2.gz SDCSANAHJFPZSZ-ZYHUDNBSSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)o1 ZINC000081044874 388565480 /nfs/dbraw/zinc/56/54/80/388565480.db2.gz SDCSANAHJFPZSZ-PWSUYJOCSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c(C)o1 ZINC000081044878 388565420 /nfs/dbraw/zinc/56/54/20/388565420.db2.gz SDCSANAHJFPZSZ-CMPLNLGQSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C(C)C)c(C)o1 ZINC000081044881 325488921 /nfs/dbraw/zinc/48/89/21/325488921.db2.gz SDCSANAHJFPZSZ-JQWIXIFHSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)o1 ZINC000081045103 388565659 /nfs/dbraw/zinc/56/56/59/388565659.db2.gz LLKPWNFPLYBMCA-ZYHUDNBSSA-N 1 0 209.333 3.531 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)o1 ZINC000081045105 388566197 /nfs/dbraw/zinc/56/61/97/388566197.db2.gz LLKPWNFPLYBMCA-PWSUYJOCSA-N 1 0 209.333 3.531 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)o1 ZINC000081045106 388565588 /nfs/dbraw/zinc/56/55/88/388565588.db2.gz LLKPWNFPLYBMCA-CMPLNLGQSA-N 1 0 209.333 3.531 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)o1 ZINC000081045108 388565969 /nfs/dbraw/zinc/56/59/69/388565969.db2.gz LLKPWNFPLYBMCA-JQWIXIFHSA-N 1 0 209.333 3.531 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000081045110 384015236 /nfs/dbraw/zinc/01/52/36/384015236.db2.gz LHTHCTSHGFIABN-STQMWFEESA-N 1 0 235.371 3.638 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081045113 384018086 /nfs/dbraw/zinc/01/80/86/384018086.db2.gz LHTHCTSHGFIABN-OLZOCXBDSA-N 1 0 235.371 3.638 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000081045114 384017511 /nfs/dbraw/zinc/01/75/11/384017511.db2.gz LHTHCTSHGFIABN-QWHCGFSZSA-N 1 0 235.371 3.638 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081045117 322811832 /nfs/dbraw/zinc/81/18/32/322811832.db2.gz LHTHCTSHGFIABN-CHWSQXEVSA-N 1 0 235.371 3.638 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081045433 388567376 /nfs/dbraw/zinc/56/73/76/388567376.db2.gz XGGRCLFZRXQYPI-AWEZNQCLSA-N 1 0 249.398 3.856 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081045437 388566773 /nfs/dbraw/zinc/56/67/73/388566773.db2.gz XGGRCLFZRXQYPI-CQSZACIVSA-N 1 0 249.398 3.856 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C[C@H](C)C(C)C ZINC000081045438 325488970 /nfs/dbraw/zinc/48/89/70/325488970.db2.gz JQBQUOREOUWPEM-AWEZNQCLSA-N 1 0 249.398 3.856 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)C(C)C ZINC000081045441 388566885 /nfs/dbraw/zinc/56/68/85/388566885.db2.gz JQBQUOREOUWPEM-CQSZACIVSA-N 1 0 249.398 3.856 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081045487 325489085 /nfs/dbraw/zinc/48/90/85/325489085.db2.gz XQKBHTYTGMBYSY-KBPBESRZSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081045490 384017031 /nfs/dbraw/zinc/01/70/31/384017031.db2.gz XQKBHTYTGMBYSY-KGLIPLIRSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081045495 322811865 /nfs/dbraw/zinc/81/18/65/322811865.db2.gz XQKBHTYTGMBYSY-UONOGXRCSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081045499 384021443 /nfs/dbraw/zinc/02/14/43/384021443.db2.gz XQKBHTYTGMBYSY-ZIAGYGMSSA-N 1 0 249.398 3.508 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000081045535 636864347 /nfs/dbraw/zinc/86/43/47/636864347.db2.gz XOKNQIJPHUJMCO-STQMWFEESA-N 1 0 247.382 3.564 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000081045537 644303374 /nfs/dbraw/zinc/30/33/74/644303374.db2.gz XOKNQIJPHUJMCO-OLZOCXBDSA-N 1 0 247.382 3.564 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000081045539 644302510 /nfs/dbraw/zinc/30/25/10/644302510.db2.gz XOKNQIJPHUJMCO-QWHCGFSZSA-N 1 0 247.382 3.564 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000081045543 644302864 /nfs/dbraw/zinc/30/28/64/644302864.db2.gz XOKNQIJPHUJMCO-CHWSQXEVSA-N 1 0 247.382 3.564 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081045610 325488920 /nfs/dbraw/zinc/48/89/20/325488920.db2.gz BFVIAPWEBAOAMU-CQSZACIVSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000081045612 388567109 /nfs/dbraw/zinc/56/71/09/388567109.db2.gz BFVIAPWEBAOAMU-AWEZNQCLSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C(C)C)c(C)s1 ZINC000081045616 388566626 /nfs/dbraw/zinc/56/66/26/388566626.db2.gz WWPPBBHIRSRKNH-SNVBAGLBSA-N 1 0 225.401 3.747 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C(C)C)c(C)s1 ZINC000081045618 388566841 /nfs/dbraw/zinc/56/68/41/388566841.db2.gz WWPPBBHIRSRKNH-JTQLQIEISA-N 1 0 225.401 3.747 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000081045716 345459624 /nfs/dbraw/zinc/45/96/24/345459624.db2.gz ISEYTJAWGXEUHY-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000081045767 388567052 /nfs/dbraw/zinc/56/70/52/388567052.db2.gz KEPCWJKOGHIHJW-NSHDSACASA-N 1 0 225.763 3.722 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC000081045770 325489374 /nfs/dbraw/zinc/48/93/74/325489374.db2.gz KEPCWJKOGHIHJW-LLVKDONJSA-N 1 0 225.763 3.722 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000081045827 388567045 /nfs/dbraw/zinc/56/70/45/388567045.db2.gz NIBDPSHXQMCJQC-RYUDHWBXSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000081045828 388566646 /nfs/dbraw/zinc/56/66/46/388566646.db2.gz NIBDPSHXQMCJQC-NEPJUHHUSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000081045830 388567276 /nfs/dbraw/zinc/56/72/76/388567276.db2.gz NIBDPSHXQMCJQC-NWDGAFQWSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000081045831 325489369 /nfs/dbraw/zinc/48/93/69/325489369.db2.gz NIBDPSHXQMCJQC-VXGBXAGGSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000081045864 388566776 /nfs/dbraw/zinc/56/67/76/388566776.db2.gz UAZPMCOYSYFXET-WDEREUQCSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000081045866 325489490 /nfs/dbraw/zinc/48/94/90/325489490.db2.gz UAZPMCOYSYFXET-GHMZBOCLSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000081045867 325489444 /nfs/dbraw/zinc/48/94/44/325489444.db2.gz FEKRNMXTKVKFLO-QWRGUYRKSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000081045873 388566710 /nfs/dbraw/zinc/56/67/10/388566710.db2.gz FEKRNMXTKVKFLO-MNOVXSKESA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000081045874 323077566 /nfs/dbraw/zinc/07/75/66/323077566.db2.gz FEKRNMXTKVKFLO-WDEREUQCSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000081045876 325489371 /nfs/dbraw/zinc/48/93/71/325489371.db2.gz FEKRNMXTKVKFLO-GHMZBOCLSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000081045902 388567253 /nfs/dbraw/zinc/56/72/53/388567253.db2.gz GDAXPOMHYFGQLQ-QWRGUYRKSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000081045905 388566506 /nfs/dbraw/zinc/56/65/06/388566506.db2.gz GDAXPOMHYFGQLQ-MNOVXSKESA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000081045907 325489349 /nfs/dbraw/zinc/48/93/49/325489349.db2.gz GDAXPOMHYFGQLQ-WDEREUQCSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000081045909 388566605 /nfs/dbraw/zinc/56/66/05/388566605.db2.gz GDAXPOMHYFGQLQ-GHMZBOCLSA-N 1 0 241.325 3.908 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)s1 ZINC000081045920 388567086 /nfs/dbraw/zinc/56/70/86/388567086.db2.gz MTTXDSDMKLAHEG-ZYHUDNBSSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)s1 ZINC000081045922 388566938 /nfs/dbraw/zinc/56/69/38/388566938.db2.gz MTTXDSDMKLAHEG-PWSUYJOCSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)s1 ZINC000081045927 388566619 /nfs/dbraw/zinc/56/66/19/388566619.db2.gz MTTXDSDMKLAHEG-CMPLNLGQSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)s1 ZINC000081045932 325489402 /nfs/dbraw/zinc/48/94/02/325489402.db2.gz MTTXDSDMKLAHEG-JQWIXIFHSA-N 1 0 225.401 3.999 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081045957 344495115 /nfs/dbraw/zinc/49/51/15/344495115.db2.gz PFMBFQSCDQBSEY-CQSZACIVSA-N 1 0 249.398 3.857 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081045959 344495020 /nfs/dbraw/zinc/49/50/20/344495020.db2.gz PFMBFQSCDQBSEY-AWEZNQCLSA-N 1 0 249.398 3.857 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)s1 ZINC000081046000 491133924 /nfs/dbraw/zinc/13/39/24/491133924.db2.gz RBCXCWDSCWRWLI-NXEZZACHSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)s1 ZINC000081046002 491133909 /nfs/dbraw/zinc/13/39/09/491133909.db2.gz RBCXCWDSCWRWLI-ZJUUUORDSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c(C)s1 ZINC000081046003 491133919 /nfs/dbraw/zinc/13/39/19/491133919.db2.gz RBCXCWDSCWRWLI-VHSXEESVSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@H](C)C(C)C)c(C)s1 ZINC000081046006 491133900 /nfs/dbraw/zinc/13/39/00/491133900.db2.gz RBCXCWDSCWRWLI-UWVGGRQHSA-N 1 0 240.416 3.703 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000081046077 388566967 /nfs/dbraw/zinc/56/69/67/388566967.db2.gz VTQFRCRZZIKIPW-YGONEPDPSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000081046078 388567233 /nfs/dbraw/zinc/56/72/33/388567233.db2.gz VTQFRCRZZIKIPW-XEBKBJJBSA-N 1 0 249.373 3.953 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1C ZINC000081046173 322812090 /nfs/dbraw/zinc/81/20/90/322812090.db2.gz PXGDXCGUNROBCT-CYBMUJFWSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)C(C)C)c1C ZINC000081046180 384020898 /nfs/dbraw/zinc/02/08/98/384020898.db2.gz PXGDXCGUNROBCT-ZDUSSCGKSA-N 1 0 219.372 3.685 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cccc2cnccc21 ZINC000081046214 491133934 /nfs/dbraw/zinc/13/39/34/491133934.db2.gz XZOPTVLGNRNFSL-ZDUSSCGKSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cccc2cnccc21 ZINC000081046219 491133898 /nfs/dbraw/zinc/13/38/98/491133898.db2.gz XZOPTVLGNRNFSL-CYBMUJFWSA-N 1 0 242.366 3.617 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046301 322812200 /nfs/dbraw/zinc/81/22/00/322812200.db2.gz SWUMQQROLDUCJO-STQMWFEESA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046303 322812209 /nfs/dbraw/zinc/81/22/09/322812209.db2.gz SWUMQQROLDUCJO-OLZOCXBDSA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046305 322812290 /nfs/dbraw/zinc/81/22/90/322812290.db2.gz SWUMQQROLDUCJO-QWHCGFSZSA-N 1 0 235.371 3.638 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046309 322812092 /nfs/dbraw/zinc/81/20/92/322812092.db2.gz SWUMQQROLDUCJO-CHWSQXEVSA-N 1 0 235.371 3.638 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081046605 325489448 /nfs/dbraw/zinc/48/94/48/325489448.db2.gz YAIUREZQHGGUTQ-CQSZACIVSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000081046607 388566970 /nfs/dbraw/zinc/56/69/70/388566970.db2.gz YAIUREZQHGGUTQ-AWEZNQCLSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046650 388566649 /nfs/dbraw/zinc/56/66/49/388566649.db2.gz CMQZWXJWHJXXIQ-VXGBXAGGSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046651 323077540 /nfs/dbraw/zinc/07/75/40/323077540.db2.gz CMQZWXJWHJXXIQ-NEPJUHHUSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046652 325489351 /nfs/dbraw/zinc/48/93/51/325489351.db2.gz CMQZWXJWHJXXIQ-NWDGAFQWSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046653 388566719 /nfs/dbraw/zinc/56/67/19/388566719.db2.gz CMQZWXJWHJXXIQ-RYUDHWBXSA-N 1 0 225.401 3.999 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000081046727 384027070 /nfs/dbraw/zinc/02/70/70/384027070.db2.gz QQFZDYAYJAOQPA-QWRGUYRKSA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000081046732 322812252 /nfs/dbraw/zinc/81/22/52/322812252.db2.gz QQFZDYAYJAOQPA-MNOVXSKESA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000081046733 384026321 /nfs/dbraw/zinc/02/63/21/384026321.db2.gz QQFZDYAYJAOQPA-WDEREUQCSA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000081046735 322812250 /nfs/dbraw/zinc/81/22/50/322812250.db2.gz QQFZDYAYJAOQPA-GHMZBOCLSA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000081046803 325489372 /nfs/dbraw/zinc/48/93/72/325489372.db2.gz UVXXXKGQPKCEDB-RYUDHWBXSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000081046805 325489442 /nfs/dbraw/zinc/48/94/42/325489442.db2.gz UVXXXKGQPKCEDB-NEPJUHHUSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000081046807 388566941 /nfs/dbraw/zinc/56/69/41/388566941.db2.gz UVXXXKGQPKCEDB-NWDGAFQWSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000081046809 388567100 /nfs/dbraw/zinc/56/71/00/388567100.db2.gz UVXXXKGQPKCEDB-VXGBXAGGSA-N 1 0 223.335 3.768 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000081046833 325489405 /nfs/dbraw/zinc/48/94/05/325489405.db2.gz OGQSSJVUNYILAV-UONOGXRCSA-N 1 0 219.372 3.672 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000081046834 388566589 /nfs/dbraw/zinc/56/65/89/388566589.db2.gz OGQSSJVUNYILAV-ZIAGYGMSSA-N 1 0 219.372 3.672 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000081046837 388566561 /nfs/dbraw/zinc/56/65/61/388566561.db2.gz OGQSSJVUNYILAV-KBPBESRZSA-N 1 0 219.372 3.672 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000081046838 388566796 /nfs/dbraw/zinc/56/67/96/388566796.db2.gz OGQSSJVUNYILAV-KGLIPLIRSA-N 1 0 219.372 3.672 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000081046950 322812110 /nfs/dbraw/zinc/81/21/10/322812110.db2.gz ZEZQXRRKDUCVSV-HSBZDZAISA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000081046952 322812271 /nfs/dbraw/zinc/81/22/71/322812271.db2.gz ZEZQXRRKDUCVSV-IYXRBSQSSA-N 1 0 249.373 3.953 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1C ZINC000081047000 384026092 /nfs/dbraw/zinc/02/60/92/384026092.db2.gz BBKHOILMTYQCFW-CQSZACIVSA-N 1 0 219.372 3.685 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1C ZINC000081047003 384025593 /nfs/dbraw/zinc/02/55/93/384025593.db2.gz BBKHOILMTYQCFW-AWEZNQCLSA-N 1 0 219.372 3.685 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000081047099 323077520 /nfs/dbraw/zinc/07/75/20/323077520.db2.gz FKKQVKIISLHGQH-QWRGUYRKSA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000081047101 388567290 /nfs/dbraw/zinc/56/72/90/388567290.db2.gz FKKQVKIISLHGQH-MNOVXSKESA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000081047102 388567198 /nfs/dbraw/zinc/56/71/98/388567198.db2.gz FKKQVKIISLHGQH-WDEREUQCSA-N 1 0 211.374 3.691 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000081047106 325489438 /nfs/dbraw/zinc/48/94/38/325489438.db2.gz FKKQVKIISLHGQH-GHMZBOCLSA-N 1 0 211.374 3.691 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C(C)C)ccc1F ZINC000081047109 388567048 /nfs/dbraw/zinc/56/70/48/388567048.db2.gz AGPKOHWUEWQWJI-GFCCVEGCSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C(C)C)ccc1F ZINC000081047111 322812256 /nfs/dbraw/zinc/81/22/56/322812256.db2.gz AGPKOHWUEWQWJI-LBPRGKRZSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C(C)C)s1 ZINC000081047152 325489363 /nfs/dbraw/zinc/48/93/63/325489363.db2.gz AOPVATBJRKNPCI-NXEZZACHSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C(C)C)s1 ZINC000081047154 388566810 /nfs/dbraw/zinc/56/68/10/388566810.db2.gz AOPVATBJRKNPCI-ZJUUUORDSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C(C)C)s1 ZINC000081047157 325489359 /nfs/dbraw/zinc/48/93/59/325489359.db2.gz AOPVATBJRKNPCI-VHSXEESVSA-N 1 0 240.416 3.703 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C(C)C)s1 ZINC000081047160 388566587 /nfs/dbraw/zinc/56/65/87/388566587.db2.gz AOPVATBJRKNPCI-UWVGGRQHSA-N 1 0 240.416 3.703 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000081047386 325488730 /nfs/dbraw/zinc/48/87/30/325488730.db2.gz ZQHJDKIZZQBCGE-VIFPVBQESA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000081047388 388566238 /nfs/dbraw/zinc/56/62/38/388566238.db2.gz ZQHJDKIZZQBCGE-SECBINFHSA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000081047448 388566601 /nfs/dbraw/zinc/56/66/01/388566601.db2.gz BIBQDHQRSDWRBF-JEYLPNPQSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000081047449 325489352 /nfs/dbraw/zinc/48/93/52/325489352.db2.gz BIBQDHQRSDWRBF-IUDNXUCKSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000081047510 388567058 /nfs/dbraw/zinc/56/70/58/388567058.db2.gz IINQMRHRWBYWLD-AWEZNQCLSA-N 1 0 249.398 3.856 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081047512 388566749 /nfs/dbraw/zinc/56/67/49/388566749.db2.gz IINQMRHRWBYWLD-CQSZACIVSA-N 1 0 249.398 3.856 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)C(C)C)s1 ZINC000081047527 370845440 /nfs/dbraw/zinc/84/54/40/370845440.db2.gz HBSDGZCPAUENPJ-LLVKDONJSA-N 1 0 225.401 3.692 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)C(C)C)s1 ZINC000081047529 370845853 /nfs/dbraw/zinc/84/58/53/370845853.db2.gz HBSDGZCPAUENPJ-NSHDSACASA-N 1 0 225.401 3.692 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000081047582 388566974 /nfs/dbraw/zinc/56/69/74/388566974.db2.gz NKEJJFXYSGHDFV-ZDUSSCGKSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000081047583 388566622 /nfs/dbraw/zinc/56/66/22/388566622.db2.gz NKEJJFXYSGHDFV-CYBMUJFWSA-N 1 0 242.366 3.617 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)C(C)C)CC1 ZINC000081047627 388567231 /nfs/dbraw/zinc/56/72/31/388567231.db2.gz UGSAZMHBTAOSEK-IYXRBSQSSA-N 1 0 211.393 3.837 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)C(C)C)CC1 ZINC000081047629 325489697 /nfs/dbraw/zinc/48/96/97/325489697.db2.gz UGSAZMHBTAOSEK-HSBZDZAISA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000081047718 388567205 /nfs/dbraw/zinc/56/72/05/388567205.db2.gz QPNGYVDZJQINIT-KBPBESRZSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000081047719 388567272 /nfs/dbraw/zinc/56/72/72/388567272.db2.gz QPNGYVDZJQINIT-KGLIPLIRSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000081047721 388566816 /nfs/dbraw/zinc/56/68/16/388566816.db2.gz QPNGYVDZJQINIT-UONOGXRCSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000081047723 322812499 /nfs/dbraw/zinc/81/24/99/322812499.db2.gz QPNGYVDZJQINIT-ZIAGYGMSSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000081047752 384032947 /nfs/dbraw/zinc/03/29/47/384032947.db2.gz SPBJABQXIHZYNK-LBPRGKRZSA-N 1 0 231.339 3.815 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000081047755 384032920 /nfs/dbraw/zinc/03/29/20/384032920.db2.gz SPBJABQXIHZYNK-GFCCVEGCSA-N 1 0 231.339 3.815 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000081047757 322812372 /nfs/dbraw/zinc/81/23/72/322812372.db2.gz XLGLZHOIUSFEQI-ZDUSSCGKSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000081047760 384031650 /nfs/dbraw/zinc/03/16/50/384031650.db2.gz XLGLZHOIUSFEQI-CYBMUJFWSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000081047843 325489774 /nfs/dbraw/zinc/48/97/74/325489774.db2.gz DTOQNQWSGXPARU-YGONEPDPSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000081047845 388567116 /nfs/dbraw/zinc/56/71/16/388567116.db2.gz DTOQNQWSGXPARU-XEBKBJJBSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC000081056540 325489772 /nfs/dbraw/zinc/48/97/72/325489772.db2.gz SKZFRPBBGUWWDS-RNVIBTMRSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC000081056545 388567298 /nfs/dbraw/zinc/56/72/98/388567298.db2.gz SKZFRPBBGUWWDS-DNGMOHDESA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)[C@@H](C)CNc1cc[nH+]c2ccccc12 ZINC000081070108 397924781 /nfs/dbraw/zinc/92/47/81/397924781.db2.gz CGWDUVKDMSEMOA-LBPRGKRZSA-N 1 0 228.339 3.939 20 0 BHADRO CC(C)[C@H](C)CNc1cc[nH+]c2ccccc12 ZINC000081070110 322813063 /nfs/dbraw/zinc/81/30/63/322813063.db2.gz CGWDUVKDMSEMOA-GFCCVEGCSA-N 1 0 228.339 3.939 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc2ccccc2o1 ZINC000081156745 325491954 /nfs/dbraw/zinc/49/19/54/325491954.db2.gz QAQYBAGMJUVUHI-UHFFFAOYSA-N 1 0 246.354 3.886 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCC23CCC3)cc1 ZINC000081515714 345482015 /nfs/dbraw/zinc/48/20/15/345482015.db2.gz CJQKKHBSQZEJFZ-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCC12CCC2 ZINC000081545338 345477923 /nfs/dbraw/zinc/47/79/23/345477923.db2.gz HYERGMGDMIWAQW-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO Clc1ccccc1CC[N@@H+]1CCC12CCC2 ZINC000081545578 345478036 /nfs/dbraw/zinc/47/80/36/345478036.db2.gz RBGBUTGTDUPYMI-UHFFFAOYSA-N 1 0 235.758 3.511 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605289 345486262 /nfs/dbraw/zinc/48/62/62/345486262.db2.gz LQLVTCZLAMWSTJ-CYBMUJFWSA-N 1 0 223.747 3.743 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605293 345486080 /nfs/dbraw/zinc/48/60/80/345486080.db2.gz LQLVTCZLAMWSTJ-ZDUSSCGKSA-N 1 0 223.747 3.743 20 0 BHADRO C1CC1[C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000081623151 325510864 /nfs/dbraw/zinc/51/08/64/325510864.db2.gz PUQPKLYOTGXOON-DZGCQCFKSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000081623153 388586335 /nfs/dbraw/zinc/58/63/35/388586335.db2.gz PUQPKLYOTGXOON-ZFWWWQNUSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000081623156 325510859 /nfs/dbraw/zinc/51/08/59/325510859.db2.gz PUQPKLYOTGXOON-UKRRQHHQSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000081623158 388586853 /nfs/dbraw/zinc/58/68/53/388586853.db2.gz PUQPKLYOTGXOON-HIFRSBDPSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081623216 325510867 /nfs/dbraw/zinc/51/08/67/325510867.db2.gz GPVVCAKQFRIWJH-GXTWGEPZSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081623218 325510865 /nfs/dbraw/zinc/51/08/65/325510865.db2.gz GPVVCAKQFRIWJH-JSGCOSHPSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081623221 388586634 /nfs/dbraw/zinc/58/66/34/388586634.db2.gz GPVVCAKQFRIWJH-TZMCWYRMSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081623226 325510540 /nfs/dbraw/zinc/51/05/40/325510540.db2.gz GPVVCAKQFRIWJH-OCCSQVGLSA-N 1 0 209.377 3.733 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000081623267 325510788 /nfs/dbraw/zinc/51/07/88/325510788.db2.gz ASRMMSVQNYSUON-JKSUJKDBSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000081623269 325510802 /nfs/dbraw/zinc/51/08/02/325510802.db2.gz ASRMMSVQNYSUON-HOTGVXAUSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623272 388586290 /nfs/dbraw/zinc/58/62/90/388586290.db2.gz ASRMMSVQNYSUON-HZPDHXFCSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623273 388586375 /nfs/dbraw/zinc/58/63/75/388586375.db2.gz ASRMMSVQNYSUON-CVEARBPZSA-N 1 0 229.367 3.745 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081623360 491135959 /nfs/dbraw/zinc/13/59/59/491135959.db2.gz GPCYZWGXGRVZPG-FPMFFAJLSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081623364 491135951 /nfs/dbraw/zinc/13/59/51/491135951.db2.gz GPCYZWGXGRVZPG-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081623717 388586830 /nfs/dbraw/zinc/58/68/30/388586830.db2.gz NAUILEDUPLZWPR-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081623719 325510915 /nfs/dbraw/zinc/51/09/15/325510915.db2.gz NAUILEDUPLZWPR-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081623722 388586148 /nfs/dbraw/zinc/58/61/48/388586148.db2.gz NAUILEDUPLZWPR-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081623723 325510742 /nfs/dbraw/zinc/51/07/42/325510742.db2.gz NAUILEDUPLZWPR-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000081623901 388586817 /nfs/dbraw/zinc/58/68/17/388586817.db2.gz KACQUODGRIYQGN-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000081623903 325510912 /nfs/dbraw/zinc/51/09/12/325510912.db2.gz KACQUODGRIYQGN-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623905 325510860 /nfs/dbraw/zinc/51/08/60/325510860.db2.gz KACQUODGRIYQGN-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623908 388586253 /nfs/dbraw/zinc/58/62/53/388586253.db2.gz KACQUODGRIYQGN-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081624088 388586474 /nfs/dbraw/zinc/58/64/74/388586474.db2.gz MNBIHKMMOMQZKX-UONOGXRCSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081624090 388586198 /nfs/dbraw/zinc/58/61/98/388586198.db2.gz MNBIHKMMOMQZKX-KBPBESRZSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081624093 388586821 /nfs/dbraw/zinc/58/68/21/388586821.db2.gz MNBIHKMMOMQZKX-ZIAGYGMSSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081624095 388586708 /nfs/dbraw/zinc/58/67/08/388586708.db2.gz MNBIHKMMOMQZKX-KGLIPLIRSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccncc1 ZINC000081624760 388586798 /nfs/dbraw/zinc/58/67/98/388586798.db2.gz RIGWHFUBRDXUNP-VBNZEHGJSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccncc1 ZINC000081624763 388586571 /nfs/dbraw/zinc/58/65/71/388586571.db2.gz RIGWHFUBRDXUNP-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccccn1 ZINC000081624926 176897335 /nfs/dbraw/zinc/89/73/35/176897335.db2.gz HXTNVZVTCSFKBZ-AEGPPILISA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccccn1 ZINC000081624930 325510871 /nfs/dbraw/zinc/51/08/71/325510871.db2.gz HXTNVZVTCSFKBZ-VHDGCEQUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1ccccn1 ZINC000081624936 398269928 /nfs/dbraw/zinc/26/99/28/398269928.db2.gz HXTNVZVTCSFKBZ-QEJZJMRPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1cccnc1 ZINC000081625235 398269926 /nfs/dbraw/zinc/26/99/26/398269926.db2.gz WMYKIRJAFWHKMZ-DUVNUKRYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1cccnc1 ZINC000081625239 388586327 /nfs/dbraw/zinc/58/63/27/388586327.db2.gz WMYKIRJAFWHKMZ-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1cccnc1 ZINC000081625243 176922241 /nfs/dbraw/zinc/92/22/41/176922241.db2.gz WMYKIRJAFWHKMZ-NOLJZWGESA-N 1 0 244.382 3.701 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081625710 325511288 /nfs/dbraw/zinc/51/12/88/325511288.db2.gz WHXBALRRQQGIIE-QWHCGFSZSA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081625716 325511127 /nfs/dbraw/zinc/51/11/27/325511127.db2.gz WHXBALRRQQGIIE-STQMWFEESA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081625720 388586231 /nfs/dbraw/zinc/58/62/31/388586231.db2.gz WHXBALRRQQGIIE-CHWSQXEVSA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081625724 325511291 /nfs/dbraw/zinc/51/12/91/325511291.db2.gz WHXBALRRQQGIIE-OLZOCXBDSA-N 1 0 235.396 3.807 20 0 BHADRO C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081627859 388586146 /nfs/dbraw/zinc/58/61/46/388586146.db2.gz YJJOVVLRSGLNET-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081627862 388586331 /nfs/dbraw/zinc/58/63/31/388586331.db2.gz YJJOVVLRSGLNET-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000081627866 388586140 /nfs/dbraw/zinc/58/61/40/388586140.db2.gz YJJOVVLRSGLNET-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000081627871 325511337 /nfs/dbraw/zinc/51/13/37/325511337.db2.gz YJJOVVLRSGLNET-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccco1 ZINC000081628434 388587397 /nfs/dbraw/zinc/58/73/97/388587397.db2.gz QSXMYWTYKRYBOW-FPMFFAJLSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccco1 ZINC000081628439 388586581 /nfs/dbraw/zinc/58/65/81/388586581.db2.gz QSXMYWTYKRYBOW-KWCYVHTRSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081632325 643245267 /nfs/dbraw/zinc/24/52/67/643245267.db2.gz CQJMZDFRLWNMJH-VHDGCEQUSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081632333 643245759 /nfs/dbraw/zinc/24/57/59/643245759.db2.gz CQJMZDFRLWNMJH-SNPRPXQTSA-N 1 0 247.382 3.769 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081636921 388587748 /nfs/dbraw/zinc/58/77/48/388587748.db2.gz IBDGWGWEPVYACL-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081636925 388587888 /nfs/dbraw/zinc/58/78/88/388587888.db2.gz IBDGWGWEPVYACL-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081636927 325511598 /nfs/dbraw/zinc/51/15/98/325511598.db2.gz IBDGWGWEPVYACL-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081636930 388587740 /nfs/dbraw/zinc/58/77/40/388587740.db2.gz IBDGWGWEPVYACL-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cs1 ZINC000081637436 388587836 /nfs/dbraw/zinc/58/78/36/388587836.db2.gz YWQRXVWBXFUNDW-LSDHHAIUSA-N 1 0 249.423 3.849 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)cs1 ZINC000081637439 325511752 /nfs/dbraw/zinc/51/17/52/325511752.db2.gz YWQRXVWBXFUNDW-GJZGRUSLSA-N 1 0 249.423 3.849 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cs1 ZINC000081637442 388587268 /nfs/dbraw/zinc/58/72/68/388587268.db2.gz YWQRXVWBXFUNDW-HUUCEWRRSA-N 1 0 249.423 3.849 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cs1 ZINC000081637449 325511590 /nfs/dbraw/zinc/51/15/90/325511590.db2.gz YWQRXVWBXFUNDW-CABCVRRESA-N 1 0 249.423 3.849 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000081638649 370909624 /nfs/dbraw/zinc/90/96/24/370909624.db2.gz DVMBKXXKNGNPKM-UONOGXRCSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000081638653 370909716 /nfs/dbraw/zinc/90/97/16/370909716.db2.gz DVMBKXXKNGNPKM-KBPBESRZSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000081638655 370909596 /nfs/dbraw/zinc/90/95/96/370909596.db2.gz DVMBKXXKNGNPKM-ZIAGYGMSSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000081638658 344621894 /nfs/dbraw/zinc/62/18/94/344621894.db2.gz DVMBKXXKNGNPKM-KGLIPLIRSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638782 325511877 /nfs/dbraw/zinc/51/18/77/325511877.db2.gz FGEJKWQIRRLPBT-FPMFFAJLSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638788 325511810 /nfs/dbraw/zinc/51/18/10/325511810.db2.gz FGEJKWQIRRLPBT-UBHSHLNASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081639578 388587373 /nfs/dbraw/zinc/58/73/73/388587373.db2.gz ADONROYCQOAKGE-BYCMXARLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081639586 388587651 /nfs/dbraw/zinc/58/76/51/388587651.db2.gz ADONROYCQOAKGE-UGFHNGPFSA-N 1 0 221.388 3.733 20 0 BHADRO COc1cccc([C@H](C)[NH+]2CCCCCC2)c1 ZINC000081642960 388587375 /nfs/dbraw/zinc/58/73/75/388587375.db2.gz LGONESKSYLOVQT-ZDUSSCGKSA-N 1 0 233.355 3.632 20 0 BHADRO COc1cccc([C@@H](C)[NH+]2CCCCCC2)c1 ZINC000081642963 325511873 /nfs/dbraw/zinc/51/18/73/325511873.db2.gz LGONESKSYLOVQT-CYBMUJFWSA-N 1 0 233.355 3.632 20 0 BHADRO Cc1nc(C[N@@H+](C)C2CCCCC2)sc1C ZINC000081643227 388587377 /nfs/dbraw/zinc/58/73/77/388587377.db2.gz NJGYPLIJJQUJHH-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO CCCCC[N@H+](Cc1nc(C)cs1)C(C)C ZINC000081648977 388588174 /nfs/dbraw/zinc/58/81/74/388588174.db2.gz HDRRKCGAOXFSPB-UHFFFAOYSA-N 1 0 240.416 3.852 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@@H](C)CCOC)cc1 ZINC000081705402 135388647 /nfs/dbraw/zinc/38/86/47/135388647.db2.gz PKWBYCAMCPNTRX-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@@H](C)CCOC)cc1 ZINC000081705409 135388515 /nfs/dbraw/zinc/38/85/15/135388515.db2.gz PKWBYCAMCPNTRX-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@H](C)CCOC)cc1 ZINC000081705415 135388463 /nfs/dbraw/zinc/38/84/63/135388463.db2.gz PKWBYCAMCPNTRX-CZUORRHYSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@H](C)CCOC)cc1 ZINC000081705419 135388501 /nfs/dbraw/zinc/38/85/01/135388501.db2.gz PKWBYCAMCPNTRX-CJNGLKHVSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)CCOC)cc1 ZINC000081709223 325515460 /nfs/dbraw/zinc/51/54/60/325515460.db2.gz BNYFUEFJZBMGAC-UONOGXRCSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H](C)CCOC)cc1 ZINC000081709226 325515608 /nfs/dbraw/zinc/51/56/08/325515608.db2.gz BNYFUEFJZBMGAC-KBPBESRZSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@H](C)CCOC)cc1 ZINC000081709228 325515572 /nfs/dbraw/zinc/51/55/72/325515572.db2.gz BNYFUEFJZBMGAC-ZIAGYGMSSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@H](C)CCOC)cc1 ZINC000081709233 388590087 /nfs/dbraw/zinc/59/00/87/388590087.db2.gz BNYFUEFJZBMGAC-KGLIPLIRSA-N 1 0 249.398 3.715 20 0 BHADRO COCC[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000081709670 388590107 /nfs/dbraw/zinc/59/01/07/388590107.db2.gz CEKWAYIRBLIGHQ-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000081709675 388590036 /nfs/dbraw/zinc/59/00/36/388590036.db2.gz CEKWAYIRBLIGHQ-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[NH2+][C@@H](CC)CSc1ccc(Cl)cc1 ZINC000081837017 384202423 /nfs/dbraw/zinc/20/24/23/384202423.db2.gz HQUFYXRQUGCOHB-NSHDSACASA-N 1 0 243.803 3.820 20 0 BHADRO CC[NH2+][C@H](CC)CSc1ccc(Cl)cc1 ZINC000081837019 388596282 /nfs/dbraw/zinc/59/62/82/388596282.db2.gz HQUFYXRQUGCOHB-LLVKDONJSA-N 1 0 243.803 3.820 20 0 BHADRO CC1(C)CC[NH+](CCCc2ccccc2)CC1 ZINC000082142018 345496614 /nfs/dbraw/zinc/49/66/14/345496614.db2.gz YUWLVGFILJDNJO-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO Cc1ccsc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000082238564 388610251 /nfs/dbraw/zinc/61/02/51/388610251.db2.gz POPSUGGOLOWLFC-RYUDHWBXSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000082238565 388610394 /nfs/dbraw/zinc/61/03/94/388610394.db2.gz POPSUGGOLOWLFC-VXGBXAGGSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccccc1CC[NH2+]CCC(C)(C)C ZINC000082344112 325538010 /nfs/dbraw/zinc/53/80/10/325538010.db2.gz FVPUZONBZIWKCI-UHFFFAOYSA-N 1 0 219.372 3.563 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1nccs1 ZINC000082393808 631406307 /nfs/dbraw/zinc/40/63/07/631406307.db2.gz IXWGFOMIRNUUEK-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO CC[C@H]([NH2+]Cc1nccs1)C1CCCCC1 ZINC000082394929 347465658 /nfs/dbraw/zinc/46/56/58/347465658.db2.gz DVEFLOVQSFYQDI-LBPRGKRZSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]([NH2+]Cc1nccs1)C1CCCCC1 ZINC000082394931 347465816 /nfs/dbraw/zinc/46/58/16/347465816.db2.gz DVEFLOVQSFYQDI-GFCCVEGCSA-N 1 0 238.400 3.592 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cscn1 ZINC000082424865 322824375 /nfs/dbraw/zinc/82/43/75/322824375.db2.gz NEROQWSLLHCOEA-UHFFFAOYSA-N 1 0 240.416 3.694 20 0 BHADRO CC(C)(C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000082433047 518670863 /nfs/dbraw/zinc/67/08/63/518670863.db2.gz ITDGORPILXGTMS-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503373 631405446 /nfs/dbraw/zinc/40/54/46/631405446.db2.gz OLGNUWFHKIPSMY-UHFFFAOYSA-N 1 0 223.335 3.804 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1F ZINC000082503412 322824173 /nfs/dbraw/zinc/82/41/73/322824173.db2.gz FMUHVAFCVJOJDN-LBPRGKRZSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(C)C)cc1F ZINC000082503413 384427707 /nfs/dbraw/zinc/42/77/07/384427707.db2.gz FMUHVAFCVJOJDN-GFCCVEGCSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)C)cc1F ZINC000082503521 322824321 /nfs/dbraw/zinc/82/43/21/322824321.db2.gz FRHIPHZCZQDUGI-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCC2)cc1F ZINC000082503524 322824262 /nfs/dbraw/zinc/82/42/62/322824262.db2.gz ISNOEVYQWWGAJR-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503528 322824307 /nfs/dbraw/zinc/82/43/07/322824307.db2.gz SPJWCLDIIGBMGC-ZYHUDNBSSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503530 322824354 /nfs/dbraw/zinc/82/43/54/322824354.db2.gz SPJWCLDIIGBMGC-CMPLNLGQSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503532 322824338 /nfs/dbraw/zinc/82/43/38/322824338.db2.gz SPJWCLDIIGBMGC-PWSUYJOCSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503534 322824299 /nfs/dbraw/zinc/82/42/99/322824299.db2.gz SPJWCLDIIGBMGC-JQWIXIFHSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)C ZINC000082503535 384427556 /nfs/dbraw/zinc/42/75/56/384427556.db2.gz NBKVOLDWKOAMEM-AWEZNQCLSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)C ZINC000082503537 322824325 /nfs/dbraw/zinc/82/43/25/322824325.db2.gz NBKVOLDWKOAMEM-CQSZACIVSA-N 1 0 223.335 3.658 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503558 384427527 /nfs/dbraw/zinc/42/75/27/384427527.db2.gz JILLUJCWIHUWIX-CYBMUJFWSA-N 1 0 223.335 3.802 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000082503560 384428861 /nfs/dbraw/zinc/42/88/61/384428861.db2.gz JILLUJCWIHUWIX-ZDUSSCGKSA-N 1 0 223.335 3.802 20 0 BHADRO CCCC[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000082504199 636252289 /nfs/dbraw/zinc/25/22/89/636252289.db2.gz XTQPQNXCBUDBGT-GFCCVEGCSA-N 1 0 239.746 3.553 20 0 BHADRO CCCC[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000082504200 636252353 /nfs/dbraw/zinc/25/23/53/636252353.db2.gz XTQPQNXCBUDBGT-LBPRGKRZSA-N 1 0 239.746 3.553 20 0 BHADRO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000082509031 170149279 /nfs/dbraw/zinc/14/92/79/170149279.db2.gz XSJUNRCVEVEZJP-CQSZACIVSA-N 1 0 245.366 3.823 20 0 BHADRO CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000082509032 170165705 /nfs/dbraw/zinc/16/57/05/170165705.db2.gz XSJUNRCVEVEZJP-AWEZNQCLSA-N 1 0 245.366 3.823 20 0 BHADRO Cc1ccc(CCC[NH2+]C2CCCC2)c(C)c1 ZINC000082546227 491126217 /nfs/dbraw/zinc/12/62/17/491126217.db2.gz BWJRDAKGWNSPRP-UHFFFAOYSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000082549598 167108347 /nfs/dbraw/zinc/10/83/47/167108347.db2.gz BJHUALQGGJSSKT-UHFFFAOYSA-N 1 0 239.362 3.894 20 0 BHADRO c1[nH]c2ccccc2c1CCC[NH2+]C1CCCC1 ZINC000082550593 183437268 /nfs/dbraw/zinc/43/72/68/183437268.db2.gz SGGXDUDPKQZRQO-UHFFFAOYSA-N 1 0 242.366 3.633 20 0 BHADRO Cc1[nH]c2ccccc2c1CC[NH2+]C1CCCC1 ZINC000082550597 384690208 /nfs/dbraw/zinc/69/02/08/384690208.db2.gz QOAVXXOJIISXMU-UHFFFAOYSA-N 1 0 242.366 3.551 20 0 BHADRO CC(C)C[NH2+]CCc1csc2ccccc12 ZINC000082579975 322824623 /nfs/dbraw/zinc/82/46/23/322824623.db2.gz KMIGSLYXYKNHNB-UHFFFAOYSA-N 1 0 233.380 3.689 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCCC(C)C)s1 ZINC000082589330 385586509 /nfs/dbraw/zinc/58/65/09/385586509.db2.gz SLEXSNMLZDFCJY-SNVBAGLBSA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCCC(C)C)s1 ZINC000082589331 385586429 /nfs/dbraw/zinc/58/64/29/385586429.db2.gz SLEXSNMLZDFCJY-JTQLQIEISA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)s1 ZINC000082589363 385586419 /nfs/dbraw/zinc/58/64/19/385586419.db2.gz CFHZVYFPDXCXTC-PTOFAABTSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)s1 ZINC000082589365 385586687 /nfs/dbraw/zinc/58/66/87/385586687.db2.gz CFHZVYFPDXCXTC-PEXQALLHSA-N 1 0 238.400 3.599 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]C2CCC2)cc1 ZINC000082596885 187317908 /nfs/dbraw/zinc/31/79/08/187317908.db2.gz JVXGQIVFDRPFSE-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC000082602203 322824798 /nfs/dbraw/zinc/82/47/98/322824798.db2.gz LFMXIAHKQHAZII-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC000082602205 384438600 /nfs/dbraw/zinc/43/86/00/384438600.db2.gz LFMXIAHKQHAZII-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO c1csc(CC[NH2+]CCC2CCCCC2)c1 ZINC000082602245 384772568 /nfs/dbraw/zinc/77/25/68/384772568.db2.gz ZFLAJTNIEARXHW-UHFFFAOYSA-N 1 0 237.412 3.851 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC000082602276 322824932 /nfs/dbraw/zinc/82/49/32/322824932.db2.gz ILGCQWDOVIMKEG-CHWSQXEVSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC000082602277 384433544 /nfs/dbraw/zinc/43/35/44/384433544.db2.gz ILGCQWDOVIMKEG-QWHCGFSZSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC000082602278 384434852 /nfs/dbraw/zinc/43/48/52/384434852.db2.gz ILGCQWDOVIMKEG-OLZOCXBDSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC000082602279 384434432 /nfs/dbraw/zinc/43/44/32/384434432.db2.gz ILGCQWDOVIMKEG-STQMWFEESA-N 1 0 237.412 3.707 20 0 BHADRO Cc1cccc2c(CC[NH2+]C3CCCC3)c[nH]c21 ZINC000082608473 179210403 /nfs/dbraw/zinc/21/04/03/179210403.db2.gz KLPARGVOERDHOO-UHFFFAOYSA-N 1 0 242.366 3.551 20 0 BHADRO Cc1ccc2c(CC[NH2+]C3CCCC3)c[nH]c2c1 ZINC000082608522 178940846 /nfs/dbraw/zinc/94/08/46/178940846.db2.gz CGZYBGWLODBSOY-UHFFFAOYSA-N 1 0 242.366 3.551 20 0 BHADRO CC[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC000082616228 388618622 /nfs/dbraw/zinc/61/86/22/388618622.db2.gz AALDLBOHFYVPPZ-UHFFFAOYSA-N 1 0 243.803 3.950 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000082618319 322824788 /nfs/dbraw/zinc/82/47/88/322824788.db2.gz MJFNQZHDKMNKDE-HUUCEWRRSA-N 1 0 217.356 3.871 20 0 BHADRO CCC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000082618320 384438866 /nfs/dbraw/zinc/43/88/66/384438866.db2.gz MJFNQZHDKMNKDE-CABCVRRESA-N 1 0 217.356 3.871 20 0 BHADRO CCC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000082618321 384438847 /nfs/dbraw/zinc/43/88/47/384438847.db2.gz MJFNQZHDKMNKDE-LSDHHAIUSA-N 1 0 217.356 3.871 20 0 BHADRO CCC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000082618322 322824877 /nfs/dbraw/zinc/82/48/77/322824877.db2.gz MJFNQZHDKMNKDE-GJZGRUSLSA-N 1 0 217.356 3.871 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000082618347 169284235 /nfs/dbraw/zinc/28/42/35/169284235.db2.gz ABSRMNJZKYWOHT-WCQYABFASA-N 1 0 203.329 3.543 20 0 BHADRO CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000082618348 169292720 /nfs/dbraw/zinc/29/27/20/169292720.db2.gz ABSRMNJZKYWOHT-AAEUAGOBSA-N 1 0 203.329 3.543 20 0 BHADRO CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000082618349 169284419 /nfs/dbraw/zinc/28/44/19/169284419.db2.gz ABSRMNJZKYWOHT-DGCLKSJQSA-N 1 0 203.329 3.543 20 0 BHADRO CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000082618350 169292972 /nfs/dbraw/zinc/29/29/72/169292972.db2.gz ABSRMNJZKYWOHT-YPMHNXCESA-N 1 0 203.329 3.543 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C)CCCC2)s1 ZINC000082619023 368699953 /nfs/dbraw/zinc/69/99/53/368699953.db2.gz PESLWTFJRYGLEQ-UHFFFAOYSA-N 1 0 237.412 3.980 20 0 BHADRO Cc1ccccc1C[NH2+]CC1(C)CCCC1 ZINC000082619032 322824840 /nfs/dbraw/zinc/82/48/40/322824840.db2.gz TXCCOTSCZPFPSD-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1cccc(C[NH2+]CC2(C)CCCC2)c1 ZINC000082619033 384438528 /nfs/dbraw/zinc/43/85/28/384438528.db2.gz AOCYWJJZIUTODQ-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000082619036 384439230 /nfs/dbraw/zinc/43/92/30/384439230.db2.gz JIPQJLCTRDNWRT-UHFFFAOYSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCCC2)s1 ZINC000082619039 384438765 /nfs/dbraw/zinc/43/87/65/384438765.db2.gz KRWUUGMYROFUID-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CC1(C[NH2+]C2CCCCCC2)CCCC1 ZINC000082619046 368700115 /nfs/dbraw/zinc/70/01/15/368700115.db2.gz MHWAEPKDOOILTR-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)o2)CCCC1 ZINC000082619049 384437054 /nfs/dbraw/zinc/43/70/54/384437054.db2.gz ZOMBQMMOZNGNKD-UHFFFAOYSA-N 1 0 227.735 3.603 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1cccs1 ZINC000082619083 322825184 /nfs/dbraw/zinc/82/51/84/322825184.db2.gz MRQGZTIIGMSOMG-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1cccs1 ZINC000082619084 322825131 /nfs/dbraw/zinc/82/51/31/322825131.db2.gz MRQGZTIIGMSOMG-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2(C)CCCC2)cs1 ZINC000082619087 388037459 /nfs/dbraw/zinc/03/74/59/388037459.db2.gz RTXWAFCTWJFBAF-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2(C)CCCC2)cs1 ZINC000082619088 388037738 /nfs/dbraw/zinc/03/77/38/388037738.db2.gz RTXWAFCTWJFBAF-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)C1CCCC1 ZINC000082619093 384437041 /nfs/dbraw/zinc/43/70/41/384437041.db2.gz RJCODABTIMOSBN-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)C1CCCC1 ZINC000082619094 384438854 /nfs/dbraw/zinc/43/88/54/384438854.db2.gz RJCODABTIMOSBN-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000082619100 322825128 /nfs/dbraw/zinc/82/51/28/322825128.db2.gz XHEZYZCFMWRUGO-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000082619101 384438906 /nfs/dbraw/zinc/43/89/06/384438906.db2.gz XHEZYZCFMWRUGO-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000082619102 384439821 /nfs/dbraw/zinc/43/98/21/384439821.db2.gz XHEZYZCFMWRUGO-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000082619103 384437400 /nfs/dbraw/zinc/43/74/00/384437400.db2.gz XHEZYZCFMWRUGO-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccsc1 ZINC000082619105 322825192 /nfs/dbraw/zinc/82/51/92/322825192.db2.gz PXAWLELRZPEHOK-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccsc1 ZINC000082619106 322825193 /nfs/dbraw/zinc/82/51/93/322825193.db2.gz PXAWLELRZPEHOK-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CC1(C[NH2+]C[C@H]2CC=CCC2)CCCC1 ZINC000082619107 384438596 /nfs/dbraw/zinc/43/85/96/384438596.db2.gz UUNPPPOYNRDQTN-ZDUSSCGKSA-N 1 0 207.361 3.513 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CC=CCC2)CCCC1 ZINC000082619108 322909103 /nfs/dbraw/zinc/90/91/03/322909103.db2.gz UUNPPPOYNRDQTN-CYBMUJFWSA-N 1 0 207.361 3.513 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccccc1 ZINC000082619139 384438652 /nfs/dbraw/zinc/43/86/52/384438652.db2.gz XWWKILGPVYMDGC-ZDUSSCGKSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccccc1 ZINC000082619140 384438447 /nfs/dbraw/zinc/43/84/47/384438447.db2.gz XWWKILGPVYMDGC-CYBMUJFWSA-N 1 0 217.356 3.918 20 0 BHADRO Cc1ccsc1C[NH2+]CC1(C)CCCC1 ZINC000082619881 384439767 /nfs/dbraw/zinc/43/97/67/384439767.db2.gz XUOVDPRJQJKFQR-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CC1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000082625269 325546008 /nfs/dbraw/zinc/54/60/08/325546008.db2.gz BGJAOFLKWDHUNY-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccco1 ZINC000082625273 384249454 /nfs/dbraw/zinc/24/94/54/384249454.db2.gz SRVDJRWPZDZZRR-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccco1 ZINC000082625274 384251031 /nfs/dbraw/zinc/25/10/31/384251031.db2.gz SRVDJRWPZDZZRR-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C)CCCC2)o1 ZINC000082625285 325545911 /nfs/dbraw/zinc/54/59/11/325545911.db2.gz FJARDQACRYVRRD-UHFFFAOYSA-N 1 0 221.344 3.512 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1cscn1 ZINC000082626168 643354685 /nfs/dbraw/zinc/35/46/85/643354685.db2.gz JZLQLLJVNDAUEY-GFCCVEGCSA-N 1 0 240.416 3.634 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1cscn1 ZINC000082626169 643355866 /nfs/dbraw/zinc/35/58/66/643355866.db2.gz JZLQLLJVNDAUEY-LBPRGKRZSA-N 1 0 240.416 3.634 20 0 BHADRO CCCC(CCC)[NH2+]CCOC1CCCC1 ZINC000082627184 388619334 /nfs/dbraw/zinc/61/93/34/388619334.db2.gz PPUQFMXVNPRNRV-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000082667967 322825097 /nfs/dbraw/zinc/82/50/97/322825097.db2.gz BYXOGUBXQBXZMC-LBPRGKRZSA-N 1 0 205.345 3.556 20 0 BHADRO CC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000082667968 384438969 /nfs/dbraw/zinc/43/89/69/384438969.db2.gz BYXOGUBXQBXZMC-GFCCVEGCSA-N 1 0 205.345 3.556 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)c1cccs1 ZINC000082707824 384437343 /nfs/dbraw/zinc/43/73/43/384437343.db2.gz WPXGNGKULGYSKN-UHFFFAOYSA-N 1 0 225.401 3.661 20 0 BHADRO CC(C)(C[NH2+]Cc1ccccc1)c1cccs1 ZINC000082707828 384438837 /nfs/dbraw/zinc/43/88/37/384438837.db2.gz FHPYELFYRWMXSQ-UHFFFAOYSA-N 1 0 245.391 3.816 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)c1cccs1 ZINC000082707834 190996111 /nfs/dbraw/zinc/99/61/11/190996111.db2.gz DLWKITUQNZWDIA-UHFFFAOYSA-N 1 0 223.385 3.558 20 0 BHADRO CC(C)(C)C[NH2+]Cc1coc2ccccc12 ZINC000082707835 136222039 /nfs/dbraw/zinc/22/20/39/136222039.db2.gz CPKHVWGERLYQRQ-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000082713592 325548202 /nfs/dbraw/zinc/54/82/02/325548202.db2.gz CURGRBCZCYDPTP-OLZOCXBDSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000082713593 388621276 /nfs/dbraw/zinc/62/12/76/388621276.db2.gz CURGRBCZCYDPTP-STQMWFEESA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000082713594 325548461 /nfs/dbraw/zinc/54/84/61/325548461.db2.gz CURGRBCZCYDPTP-CHWSQXEVSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000082713595 388621165 /nfs/dbraw/zinc/62/11/65/388621165.db2.gz CURGRBCZCYDPTP-QWHCGFSZSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CCCC(C)C)n1 ZINC000082725358 388040311 /nfs/dbraw/zinc/04/03/11/388040311.db2.gz JKGGCDGEVUXBOV-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CCCC(C)C)n1 ZINC000082725359 388040798 /nfs/dbraw/zinc/04/07/98/388040798.db2.gz JKGGCDGEVUXBOV-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+]CCC2CCCCC2)n1 ZINC000082725375 388040980 /nfs/dbraw/zinc/04/09/80/388040980.db2.gz JAHIXGYUBONVCG-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1csc(C[NH2+]C(C)(C)CC(C)(C)C)n1 ZINC000082725379 388040266 /nfs/dbraw/zinc/04/02/66/388040266.db2.gz VDANCMPOFZMERY-UHFFFAOYSA-N 1 0 240.416 3.756 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000082737833 387386539 /nfs/dbraw/zinc/38/65/39/387386539.db2.gz VZIOHDZKPUYOMD-LBPRGKRZSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000082737834 387386605 /nfs/dbraw/zinc/38/66/05/387386605.db2.gz VZIOHDZKPUYOMD-GFCCVEGCSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000082764336 387386738 /nfs/dbraw/zinc/38/67/38/387386738.db2.gz YQKCOSPRQJNXHX-AWEZNQCLSA-N 1 0 219.372 3.501 20 0 BHADRO CC(C)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000082764337 387386238 /nfs/dbraw/zinc/38/62/38/387386238.db2.gz YQKCOSPRQJNXHX-CQSZACIVSA-N 1 0 219.372 3.501 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000082774594 256559063 /nfs/dbraw/zinc/55/90/63/256559063.db2.gz JWNWURVGEFWSED-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000082774595 256559223 /nfs/dbraw/zinc/55/92/23/256559223.db2.gz JWNWURVGEFWSED-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000082774602 256559337 /nfs/dbraw/zinc/55/93/37/256559337.db2.gz AVFVITPQOJKLKN-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000082774603 384715278 /nfs/dbraw/zinc/71/52/78/384715278.db2.gz AVFVITPQOJKLKN-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000082774604 384716106 /nfs/dbraw/zinc/71/61/06/384716106.db2.gz AVFVITPQOJKLKN-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000082774605 387388771 /nfs/dbraw/zinc/38/87/71/387388771.db2.gz AVFVITPQOJKLKN-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO c1cc2cc(NC3CCCC3)ccc2c[nH+]1 ZINC000082792221 183374153 /nfs/dbraw/zinc/37/41/53/183374153.db2.gz IHBZBARXRSFHFU-UHFFFAOYSA-N 1 0 212.296 3.589 20 0 BHADRO CC[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000082816080 384266683 /nfs/dbraw/zinc/26/66/83/384266683.db2.gz UAGGHADBYVDUJO-JTQLQIEISA-N 1 0 215.699 3.540 20 0 BHADRO CC[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000082816081 384268299 /nfs/dbraw/zinc/26/82/99/384268299.db2.gz UAGGHADBYVDUJO-SNVBAGLBSA-N 1 0 215.699 3.540 20 0 BHADRO CCC[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000082816106 535186363 /nfs/dbraw/zinc/18/63/63/535186363.db2.gz UWIBSQMOEJRCPD-NSHDSACASA-N 1 0 229.726 3.930 20 0 BHADRO CCC[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000082816107 343466691 /nfs/dbraw/zinc/46/66/91/343466691.db2.gz UWIBSQMOEJRCPD-LLVKDONJSA-N 1 0 229.726 3.930 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2ccccc2)C[C@@H](C)C1 ZINC000082829192 384718306 /nfs/dbraw/zinc/71/83/06/384718306.db2.gz UFKIWEVCLDDRHO-STQMWFEESA-N 1 0 217.356 3.601 20 0 BHADRO C[C@H]1CC([NH2+]Cc2ccccc2)C[C@H](C)C1 ZINC000082829193 384719962 /nfs/dbraw/zinc/71/99/62/384719962.db2.gz UFKIWEVCLDDRHO-CHWSQXEVSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2cccs2)C[C@@H](C)C1 ZINC000082829195 259323020 /nfs/dbraw/zinc/32/30/20/259323020.db2.gz FCRDLBNMCKNFAA-QWRGUYRKSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]1CC([NH2+]Cc2cccs2)C[C@H](C)C1 ZINC000082829196 256748514 /nfs/dbraw/zinc/74/85/14/256748514.db2.gz FCRDLBNMCKNFAA-GHMZBOCLSA-N 1 0 223.385 3.662 20 0 BHADRO Cc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)o1 ZINC000082829198 388041208 /nfs/dbraw/zinc/04/12/08/388041208.db2.gz NCHSYOLKYCCWDO-QWRGUYRKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)o1 ZINC000082829199 388041251 /nfs/dbraw/zinc/04/12/51/388041251.db2.gz NCHSYOLKYCCWDO-GHMZBOCLSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2ccsc2)C[C@@H](C)C1 ZINC000082829201 384269875 /nfs/dbraw/zinc/26/98/75/384269875.db2.gz VWUWEOXODXTQGO-QWRGUYRKSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]1CC([NH2+]Cc2ccsc2)C[C@H](C)C1 ZINC000082829202 384271303 /nfs/dbraw/zinc/27/13/03/384271303.db2.gz VWUWEOXODXTQGO-GHMZBOCLSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2ccc(Cl)o2)C[C@@H](C)C1 ZINC000082829204 256558869 /nfs/dbraw/zinc/55/88/69/256558869.db2.gz RDCZVHYEYYYJCC-UWVGGRQHSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@H]1CC([NH2+]Cc2ccc(Cl)o2)C[C@H](C)C1 ZINC000082829205 384718050 /nfs/dbraw/zinc/71/80/50/384718050.db2.gz RDCZVHYEYYYJCC-NXEZZACHSA-N 1 0 241.762 3.847 20 0 BHADRO Cc1ccsc1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829216 256560388 /nfs/dbraw/zinc/56/03/88/256560388.db2.gz JKXYYRFXVNAPEZ-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082829217 384719927 /nfs/dbraw/zinc/71/99/27/384719927.db2.gz JKXYYRFXVNAPEZ-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)s1 ZINC000082829228 384719398 /nfs/dbraw/zinc/71/93/98/384719398.db2.gz QFSYDSYJKICZCH-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)s1 ZINC000082829229 256560131 /nfs/dbraw/zinc/56/01/31/256560131.db2.gz QFSYDSYJKICZCH-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO C[C@@H]1CC([NH2+]CCc2cccs2)C[C@@H](C)C1 ZINC000082829448 256748613 /nfs/dbraw/zinc/74/86/13/256748613.db2.gz NHJQCWWYCYBHFU-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC([NH2+]CCc2cccs2)C[C@H](C)C1 ZINC000082829449 387388977 /nfs/dbraw/zinc/38/89/77/387388977.db2.gz NHJQCWWYCYBHFU-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC([NH2+]C(C2CC2)C2CC2)C[C@@H](C)C1 ZINC000082829498 256559918 /nfs/dbraw/zinc/55/99/18/256559918.db2.gz AMMOLJNJCDMVDO-QWRGUYRKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1CC([NH2+]C(C2CC2)C2CC2)C[C@H](C)C1 ZINC000082829499 384717331 /nfs/dbraw/zinc/71/73/31/384717331.db2.gz AMMOLJNJCDMVDO-GHMZBOCLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccco1 ZINC000082829767 388041282 /nfs/dbraw/zinc/04/12/82/388041282.db2.gz OCLBVFBPQNJYFI-UTUOFQBUSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082830617 387388214 /nfs/dbraw/zinc/38/82/14/387388214.db2.gz LFIZFOIMBIESBW-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1nccs1 ZINC000082830660 387388073 /nfs/dbraw/zinc/38/80/73/387388073.db2.gz KROHGOTYSZUBRC-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000082830661 348823125 /nfs/dbraw/zinc/82/31/25/348823125.db2.gz KROHGOTYSZUBRC-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1(C)CC1 ZINC000082834909 643525004 /nfs/dbraw/zinc/52/50/04/643525004.db2.gz URPHBYFYKZASHC-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC000082835928 384721443 /nfs/dbraw/zinc/72/14/43/384721443.db2.gz UNETYSCVKDAPIK-AGIUHOORSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC000082835933 384723330 /nfs/dbraw/zinc/72/33/30/384723330.db2.gz UNETYSCVKDAPIK-FRRDWIJNSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C[C@@H]1C ZINC000082836021 256559771 /nfs/dbraw/zinc/55/97/71/256559771.db2.gz PTIHDGJVAVLVMP-SUNKGSAMSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C[C@@H]1C ZINC000082836024 384723465 /nfs/dbraw/zinc/72/34/65/384723465.db2.gz PTIHDGJVAVLVMP-UHIISALHSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)C[C@@H]1C ZINC000082836029 387389089 /nfs/dbraw/zinc/38/90/89/387389089.db2.gz HUNZLDUARROELG-WOPDTQHZSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)C[C@@H]1C ZINC000082836033 387388436 /nfs/dbraw/zinc/38/84/36/387388436.db2.gz HUNZLDUARROELG-GRYCIOLGSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccco1 ZINC000082836350 388041316 /nfs/dbraw/zinc/04/13/16/388041316.db2.gz BBJCKBSQBNAYKX-MROQNXINSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccco1 ZINC000082836351 388041276 /nfs/dbraw/zinc/04/12/76/388041276.db2.gz BBJCKBSQBNAYKX-ZDEQEGDKSA-N 1 0 221.344 3.755 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000082837348 135441491 /nfs/dbraw/zinc/44/14/91/135441491.db2.gz WCFNBLZGYRFCTJ-DMDPSCGWSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000082837350 135441731 /nfs/dbraw/zinc/44/17/31/135441731.db2.gz WCFNBLZGYRFCTJ-NQBHXWOUSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC000082837470 384271363 /nfs/dbraw/zinc/27/13/63/384271363.db2.gz DOPSWYGQMXYENU-MDZLAQPJSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC000082837473 135441362 /nfs/dbraw/zinc/44/13/62/135441362.db2.gz DOPSWYGQMXYENU-NTZNESFSSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837694 387388548 /nfs/dbraw/zinc/38/85/48/387388548.db2.gz DHLJZBKYGVPILZ-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837698 388041758 /nfs/dbraw/zinc/04/17/58/388041758.db2.gz DHLJZBKYGVPILZ-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837699 388041245 /nfs/dbraw/zinc/04/12/45/388041245.db2.gz DHLJZBKYGVPILZ-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1(C)CC1 ZINC000082845861 135441551 /nfs/dbraw/zinc/44/15/51/135441551.db2.gz YZXPGDQSSHTFHN-VOAKCMCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C[C@@H]1C ZINC000082845868 384723021 /nfs/dbraw/zinc/72/30/21/384723021.db2.gz DXNSHNVPXXKWEQ-VWYCJHECSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C[C@@H]1C ZINC000082845872 384723291 /nfs/dbraw/zinc/72/32/91/384723291.db2.gz DXNSHNVPXXKWEQ-OUAUKWLOSA-N 1 0 241.762 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000082847450 643385894 /nfs/dbraw/zinc/38/58/94/643385894.db2.gz HNAXPVZPCLOBDF-XQQFMLRXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000082847452 643386395 /nfs/dbraw/zinc/38/63/95/643386395.db2.gz HNAXPVZPCLOBDF-YNEHKIRRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000082847454 384721669 /nfs/dbraw/zinc/72/16/69/384721669.db2.gz ZRXVGOROIOLRLM-MNOVXSKESA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000082847455 384723658 /nfs/dbraw/zinc/72/36/58/384723658.db2.gz ZRXVGOROIOLRLM-QWRGUYRKSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000082847456 384722200 /nfs/dbraw/zinc/72/22/00/384722200.db2.gz ZRXVGOROIOLRLM-GHMZBOCLSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000082847457 384723560 /nfs/dbraw/zinc/72/35/60/384723560.db2.gz ZRXVGOROIOLRLM-WDEREUQCSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000082859514 387392166 /nfs/dbraw/zinc/39/21/66/387392166.db2.gz UANIDWSGBDCYLJ-NMKXLXIOSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)c1nccs1 ZINC000082859630 387392773 /nfs/dbraw/zinc/39/27/73/387392773.db2.gz RYHDPTJQMZVAAR-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1nccs1 ZINC000082859632 348855001 /nfs/dbraw/zinc/85/50/01/348855001.db2.gz RYHDPTJQMZVAAR-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1nccs1 ZINC000082859633 348855017 /nfs/dbraw/zinc/85/50/17/348855017.db2.gz RYHDPTJQMZVAAR-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000082859634 388043025 /nfs/dbraw/zinc/04/30/25/388043025.db2.gz CJMMQWQVPPPECM-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000082859636 387392454 /nfs/dbraw/zinc/39/24/54/387392454.db2.gz CJMMQWQVPPPECM-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1nccs1 ZINC000082859638 384722789 /nfs/dbraw/zinc/72/27/89/384722789.db2.gz XPOWOMMLZUIRSI-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)c1nccs1 ZINC000082859640 387392798 /nfs/dbraw/zinc/39/27/98/387392798.db2.gz XPOWOMMLZUIRSI-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000082924698 384727998 /nfs/dbraw/zinc/72/79/98/384727998.db2.gz RQSGCNWNEMYHHW-ZJUUUORDSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000082924699 171346005 /nfs/dbraw/zinc/34/60/05/171346005.db2.gz RQSGCNWNEMYHHW-UWVGGRQHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000082924700 384726902 /nfs/dbraw/zinc/72/69/02/384726902.db2.gz RQSGCNWNEMYHHW-NXEZZACHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000082924701 171347804 /nfs/dbraw/zinc/34/78/04/171347804.db2.gz RQSGCNWNEMYHHW-VHSXEESVSA-N 1 0 234.368 3.745 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000082924703 167012485 /nfs/dbraw/zinc/01/24/85/167012485.db2.gz CMGKKAXTCUPINE-JTQLQIEISA-N 1 0 234.368 3.603 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000082924704 167013313 /nfs/dbraw/zinc/01/33/13/167013313.db2.gz CMGKKAXTCUPINE-SNVBAGLBSA-N 1 0 234.368 3.603 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000082924718 384725917 /nfs/dbraw/zinc/72/59/17/384725917.db2.gz LUKGPVHONKJCSH-JTQLQIEISA-N 1 0 234.368 3.747 20 0 BHADRO CCCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000082924719 384728183 /nfs/dbraw/zinc/72/81/83/384728183.db2.gz LUKGPVHONKJCSH-SNVBAGLBSA-N 1 0 234.368 3.747 20 0 BHADRO CC(C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000082954836 256749817 /nfs/dbraw/zinc/74/98/17/256749817.db2.gz MWCNFSKRLRGHMM-UHFFFAOYSA-N 1 0 232.154 3.534 20 0 BHADRO CC(C)C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000082954948 387394429 /nfs/dbraw/zinc/39/44/29/387394429.db2.gz CUXLHLFSVFAQQA-UHFFFAOYSA-N 1 0 246.181 3.782 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000083053967 387397646 /nfs/dbraw/zinc/39/76/46/387397646.db2.gz STCKDKPEQQPOHQ-FZMZJTMJSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000083053973 387396969 /nfs/dbraw/zinc/39/69/69/387396969.db2.gz STCKDKPEQQPOHQ-SMDDNHRTSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000083053975 256749469 /nfs/dbraw/zinc/74/94/69/256749469.db2.gz STCKDKPEQQPOHQ-RISCZKNCSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000083053979 387396953 /nfs/dbraw/zinc/39/69/53/387396953.db2.gz STCKDKPEQQPOHQ-BXUZGUMPSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000083054138 256749884 /nfs/dbraw/zinc/74/98/84/256749884.db2.gz QYAULSIRFDGGND-ZDUSSCGKSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000083054140 387397129 /nfs/dbraw/zinc/39/71/29/387397129.db2.gz QYAULSIRFDGGND-CYBMUJFWSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCCC1)C1CC1 ZINC000083054145 643528479 /nfs/dbraw/zinc/52/84/79/643528479.db2.gz KIYJQASUTNNBFC-AWEZNQCLSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCCC1)C1CC1 ZINC000083054147 643405492 /nfs/dbraw/zinc/40/54/92/643405492.db2.gz KIYJQASUTNNBFC-CQSZACIVSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000083054352 256749834 /nfs/dbraw/zinc/74/98/34/256749834.db2.gz JKVLLAKAFIVSRE-AUZPSNTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC000083054416 387397524 /nfs/dbraw/zinc/39/75/24/387397524.db2.gz YWWCYDWMSLLMNL-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC000083054418 387397529 /nfs/dbraw/zinc/39/75/29/387397529.db2.gz YWWCYDWMSLLMNL-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000083054423 491159473 /nfs/dbraw/zinc/15/94/73/491159473.db2.gz SMCPEJSVUDPJRG-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000083054425 491159483 /nfs/dbraw/zinc/15/94/83/491159483.db2.gz SMCPEJSVUDPJRG-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)C1CC1 ZINC000083054426 491159490 /nfs/dbraw/zinc/15/94/90/491159490.db2.gz SMCPEJSVUDPJRG-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)C1CC1 ZINC000083054428 491159472 /nfs/dbraw/zinc/15/94/72/491159472.db2.gz SMCPEJSVUDPJRG-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC000083054444 256750117 /nfs/dbraw/zinc/75/01/17/256750117.db2.gz VQLSMTOAXWLWKU-AWEZNQCLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC000083054446 256749473 /nfs/dbraw/zinc/74/94/73/256749473.db2.gz VQLSMTOAXWLWKU-CQSZACIVSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)C1CC1 ZINC000083054511 384742306 /nfs/dbraw/zinc/74/23/06/384742306.db2.gz XGGCCOFTXTUDSF-WFASDCNBSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)C1CC1 ZINC000083054513 384741317 /nfs/dbraw/zinc/74/13/17/384741317.db2.gz XGGCCOFTXTUDSF-SWLSCSKDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1C)C1CC1 ZINC000083054515 387396819 /nfs/dbraw/zinc/39/68/19/387396819.db2.gz XGGCCOFTXTUDSF-DOMZBBRYSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)C1CC1 ZINC000083054517 387397486 /nfs/dbraw/zinc/39/74/86/387397486.db2.gz XGGCCOFTXTUDSF-IUODEOHRSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC000083054627 491159499 /nfs/dbraw/zinc/15/94/99/491159499.db2.gz WVTOFNYYHXSNEV-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC000083054629 491159466 /nfs/dbraw/zinc/15/94/66/491159466.db2.gz WVTOFNYYHXSNEV-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC000083054631 491159468 /nfs/dbraw/zinc/15/94/68/491159468.db2.gz WVTOFNYYHXSNEV-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC000083054634 491159502 /nfs/dbraw/zinc/15/95/02/491159502.db2.gz WVTOFNYYHXSNEV-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000083054635 387396827 /nfs/dbraw/zinc/39/68/27/387396827.db2.gz FBUXTIOLEJMOFN-ONGXEEELSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000083054638 384279121 /nfs/dbraw/zinc/27/91/21/384279121.db2.gz FBUXTIOLEJMOFN-GXSJLCMTSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000083054639 387397765 /nfs/dbraw/zinc/39/77/65/387397765.db2.gz FBUXTIOLEJMOFN-KOLCDFICSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000083054646 256750174 /nfs/dbraw/zinc/75/01/74/256750174.db2.gz FBUXTIOLEJMOFN-MWLCHTKSSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000083054737 387396514 /nfs/dbraw/zinc/39/65/14/387396514.db2.gz FWTYTRKELPFNPB-ZDUSSCGKSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000083054739 256749929 /nfs/dbraw/zinc/74/99/29/256749929.db2.gz FWTYTRKELPFNPB-CYBMUJFWSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000083055573 387397324 /nfs/dbraw/zinc/39/73/24/387397324.db2.gz FLIFAHABUOCLSG-AWEZNQCLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000083055575 387397143 /nfs/dbraw/zinc/39/71/43/387397143.db2.gz FLIFAHABUOCLSG-CQSZACIVSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC000083055617 491159541 /nfs/dbraw/zinc/15/95/41/491159541.db2.gz RYKVEJPQFPFDQW-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC000083055619 491159568 /nfs/dbraw/zinc/15/95/68/491159568.db2.gz RYKVEJPQFPFDQW-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC000083055621 491159545 /nfs/dbraw/zinc/15/95/45/491159545.db2.gz RYKVEJPQFPFDQW-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC000083055623 491159522 /nfs/dbraw/zinc/15/95/22/491159522.db2.gz RYKVEJPQFPFDQW-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000083055626 256559917 /nfs/dbraw/zinc/55/99/17/256559917.db2.gz QLRHWSBOTXTSCA-WFASDCNBSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000083055627 384741115 /nfs/dbraw/zinc/74/11/15/384741115.db2.gz QLRHWSBOTXTSCA-SWLSCSKDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C1CC1 ZINC000083055629 387397724 /nfs/dbraw/zinc/39/77/24/387397724.db2.gz QLRHWSBOTXTSCA-DOMZBBRYSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C1CC1 ZINC000083055631 387396433 /nfs/dbraw/zinc/39/64/33/387396433.db2.gz QLRHWSBOTXTSCA-IUODEOHRSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+]CCSc1ccccc1)C1CC1 ZINC000083055668 384742711 /nfs/dbraw/zinc/74/27/11/384742711.db2.gz PFJOPUKGTQEALX-AWEZNQCLSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@@H]([NH2+]CCSc1ccccc1)C1CC1 ZINC000083055670 384740038 /nfs/dbraw/zinc/74/00/38/384740038.db2.gz PFJOPUKGTQEALX-CQSZACIVSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)C1CC1 ZINC000083055786 491159554 /nfs/dbraw/zinc/15/95/54/491159554.db2.gz DXQBNZQRYHRQOT-CABZTGNLSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)C1CC1 ZINC000083055788 491159546 /nfs/dbraw/zinc/15/95/46/491159546.db2.gz DXQBNZQRYHRQOT-JOYOIKCWSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)C1CC1 ZINC000083055789 491159575 /nfs/dbraw/zinc/15/95/75/491159575.db2.gz DXQBNZQRYHRQOT-SKDRFNHKSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)C1CC1 ZINC000083055791 491159519 /nfs/dbraw/zinc/15/95/19/491159519.db2.gz DXQBNZQRYHRQOT-BXKDBHETSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H]([NH2+]C1CCC(CC)CC1)C1CC1 ZINC000083055897 387397182 /nfs/dbraw/zinc/39/71/82/387397182.db2.gz COQHFIRFMPZCCL-UBHUBRDASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(CC)CC1)C1CC1 ZINC000083055899 387396768 /nfs/dbraw/zinc/39/67/68/387396768.db2.gz COQHFIRFMPZCCL-UXUKBGGZSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1cccs1 ZINC000083055970 387397147 /nfs/dbraw/zinc/39/71/47/387397147.db2.gz NQZHFGRYDFGSGY-RYUDHWBXSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1cccs1 ZINC000083055972 387397389 /nfs/dbraw/zinc/39/73/89/387397389.db2.gz NQZHFGRYDFGSGY-NWDGAFQWSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1cccs1)C1CC1 ZINC000083055974 256750269 /nfs/dbraw/zinc/75/02/69/256750269.db2.gz NQZHFGRYDFGSGY-NEPJUHHUSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1cccs1 ZINC000083055976 256751021 /nfs/dbraw/zinc/75/10/21/256751021.db2.gz NQZHFGRYDFGSGY-VXGBXAGGSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000083056030 387396749 /nfs/dbraw/zinc/39/67/49/387396749.db2.gz LZFQEFQCIKCVLC-UBHSHLNASA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000083056037 387396557 /nfs/dbraw/zinc/39/65/57/387396557.db2.gz LZFQEFQCIKCVLC-YUTCNCBUSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)oc1C)C1CC1 ZINC000083056145 491159550 /nfs/dbraw/zinc/15/95/50/491159550.db2.gz ONDJPUJBSUGMBN-HZMBPMFUSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)oc1C)C1CC1 ZINC000083056147 491159572 /nfs/dbraw/zinc/15/95/72/491159572.db2.gz ONDJPUJBSUGMBN-IINYFYTJSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)oc1C)C1CC1 ZINC000083056149 491159539 /nfs/dbraw/zinc/15/95/39/491159539.db2.gz ONDJPUJBSUGMBN-YGRLFVJLSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)oc1C)C1CC1 ZINC000083056151 491159525 /nfs/dbraw/zinc/15/95/25/491159525.db2.gz ONDJPUJBSUGMBN-QMTHXVAHSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000083056322 388044897 /nfs/dbraw/zinc/04/48/97/388044897.db2.gz QGCKJBUZQPTABP-GJZGRUSLSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000083056324 388043839 /nfs/dbraw/zinc/04/38/39/388043839.db2.gz QGCKJBUZQPTABP-CABCVRRESA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)C1CC1 ZINC000083056326 388044399 /nfs/dbraw/zinc/04/43/99/388044399.db2.gz QGCKJBUZQPTABP-LSDHHAIUSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000083056328 535808810 /nfs/dbraw/zinc/80/88/10/535808810.db2.gz QGCKJBUZQPTABP-HUUCEWRRSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)C1CC1 ZINC000083056372 387397590 /nfs/dbraw/zinc/39/75/90/387397590.db2.gz OOXKNLROQCQRBK-FZMZJTMJSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCCCC1)C1CC1 ZINC000083056374 387397511 /nfs/dbraw/zinc/39/75/11/387397511.db2.gz OOXKNLROQCQRBK-SMDDNHRTSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCCC1)C1CC1 ZINC000083056378 387396876 /nfs/dbraw/zinc/39/68/76/387396876.db2.gz OOXKNLROQCQRBK-RISCZKNCSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCCCC1)C1CC1 ZINC000083056381 256750249 /nfs/dbraw/zinc/75/02/49/256750249.db2.gz OOXKNLROQCQRBK-BXUZGUMPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000083056396 387397336 /nfs/dbraw/zinc/39/73/36/387397336.db2.gz WGAHBRZCQYONHX-ZDUSSCGKSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000083056398 387396505 /nfs/dbraw/zinc/39/65/05/387396505.db2.gz WGAHBRZCQYONHX-CYBMUJFWSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000083056400 384742472 /nfs/dbraw/zinc/74/24/72/384742472.db2.gz OAIMEKSTXAPVBP-ZDUSSCGKSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000083056401 256560283 /nfs/dbraw/zinc/56/02/83/256560283.db2.gz OAIMEKSTXAPVBP-CYBMUJFWSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000083056462 535936552 /nfs/dbraw/zinc/93/65/52/535936552.db2.gz UPSQMRWWRXWFIU-QWHCGFSZSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000083056464 535808331 /nfs/dbraw/zinc/80/83/31/535808331.db2.gz UPSQMRWWRXWFIU-CHWSQXEVSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000083056466 388043864 /nfs/dbraw/zinc/04/38/64/388043864.db2.gz UPSQMRWWRXWFIU-STQMWFEESA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000083056468 388044182 /nfs/dbraw/zinc/04/41/82/388044182.db2.gz UPSQMRWWRXWFIU-OLZOCXBDSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccsc1)C1CC1 ZINC000083056469 491159577 /nfs/dbraw/zinc/15/95/77/491159577.db2.gz BDSHXBYNYZOXAM-CABZTGNLSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)C1CC1 ZINC000083056470 491159559 /nfs/dbraw/zinc/15/95/59/491159559.db2.gz BDSHXBYNYZOXAM-JOYOIKCWSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)C1CC1 ZINC000083056471 491159543 /nfs/dbraw/zinc/15/95/43/491159543.db2.gz BDSHXBYNYZOXAM-SKDRFNHKSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccsc1)C1CC1 ZINC000083056474 491159537 /nfs/dbraw/zinc/15/95/37/491159537.db2.gz BDSHXBYNYZOXAM-BXKDBHETSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(C)CC1)C1CC1 ZINC000083056547 387397084 /nfs/dbraw/zinc/39/70/84/387397084.db2.gz ANQIXVFBQGCHOX-YIZWMMSDSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(C)CC1)C1CC1 ZINC000083056550 387397559 /nfs/dbraw/zinc/39/75/59/387397559.db2.gz ANQIXVFBQGCHOX-ORHYLEIMSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C1CC1 ZINC000083056733 384740695 /nfs/dbraw/zinc/74/06/95/384740695.db2.gz UBUTXGOOODWYKP-AUZPSNTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000083056782 387396521 /nfs/dbraw/zinc/39/65/21/387396521.db2.gz WARWVIYYMKAGGR-JTQLQIEISA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000083056784 387397345 /nfs/dbraw/zinc/39/73/45/387397345.db2.gz WARWVIYYMKAGGR-SNVBAGLBSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C)(C)CC1)C1CC1 ZINC000083056798 384279434 /nfs/dbraw/zinc/27/94/34/384279434.db2.gz UGWMUEQZTSYAEO-ZDUSSCGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C)(C)CC1)C1CC1 ZINC000083056801 387397353 /nfs/dbraw/zinc/39/73/53/387397353.db2.gz UGWMUEQZTSYAEO-CYBMUJFWSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(C)s1)C1CC1 ZINC000083056827 387397479 /nfs/dbraw/zinc/39/74/79/387397479.db2.gz OSPDZQNKXHFVBF-HZMBPMFUSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C)s1)C1CC1 ZINC000083056830 387396977 /nfs/dbraw/zinc/39/69/77/387396977.db2.gz OSPDZQNKXHFVBF-IINYFYTJSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccc(C)s1)C1CC1 ZINC000083056834 387397075 /nfs/dbraw/zinc/39/70/75/387397075.db2.gz OSPDZQNKXHFVBF-YGRLFVJLSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(C)s1)C1CC1 ZINC000083056836 256750571 /nfs/dbraw/zinc/75/05/71/256750571.db2.gz OSPDZQNKXHFVBF-QMTHXVAHSA-N 1 0 237.412 3.766 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](CC)C1CC1 ZINC000083056898 384742399 /nfs/dbraw/zinc/74/23/99/384742399.db2.gz VZXCXWYHFUEDEI-HNNXBMFYSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](CC)C1CC1 ZINC000083056901 384742376 /nfs/dbraw/zinc/74/23/76/384742376.db2.gz VZXCXWYHFUEDEI-OAHLLOKOSA-N 1 0 217.356 3.527 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000083056908 256750947 /nfs/dbraw/zinc/75/09/47/256750947.db2.gz NPUCUEYNTFBXBS-MJVIPROJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C1CC1 ZINC000083056913 387396762 /nfs/dbraw/zinc/39/67/62/387396762.db2.gz PNSNWTMDPZFQIF-UNJBNNCHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C1CC1 ZINC000083056921 387396496 /nfs/dbraw/zinc/39/64/96/387396496.db2.gz CVKUFZXHGMJYQF-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C1CC1 ZINC000083056924 387396867 /nfs/dbraw/zinc/39/68/67/387396867.db2.gz CVKUFZXHGMJYQF-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)C1CC1 ZINC000083066782 491158970 /nfs/dbraw/zinc/15/89/70/491158970.db2.gz KPSAWVKCBDLJMY-JQWIXIFHSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)C1CC1 ZINC000083066784 491159008 /nfs/dbraw/zinc/15/90/08/491159008.db2.gz KPSAWVKCBDLJMY-CMPLNLGQSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)C1CC1 ZINC000083066786 491158999 /nfs/dbraw/zinc/15/89/99/491158999.db2.gz KPSAWVKCBDLJMY-PWSUYJOCSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)C1CC1 ZINC000083066788 491159002 /nfs/dbraw/zinc/15/90/02/491159002.db2.gz KPSAWVKCBDLJMY-ZYHUDNBSSA-N 1 0 223.385 3.896 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1nccs1 ZINC000083142381 384745242 /nfs/dbraw/zinc/74/52/42/384745242.db2.gz SXBOWVMGAVUMJX-NSHDSACASA-N 1 0 236.384 3.684 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1nccs1 ZINC000083142382 384744286 /nfs/dbraw/zinc/74/42/86/384744286.db2.gz SXBOWVMGAVUMJX-LLVKDONJSA-N 1 0 236.384 3.684 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1nccs1 ZINC000083143043 388046041 /nfs/dbraw/zinc/04/60/41/388046041.db2.gz DRNXIFGOJHCAFY-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1nccs1 ZINC000083143044 135445084 /nfs/dbraw/zinc/44/50/84/135445084.db2.gz DRNXIFGOJHCAFY-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1nccs1 ZINC000083143173 388045499 /nfs/dbraw/zinc/04/54/99/388045499.db2.gz IGACOIGIJVIQBH-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1nccs1 ZINC000083143175 388046071 /nfs/dbraw/zinc/04/60/71/388046071.db2.gz IGACOIGIJVIQBH-SDDRHHMPSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1nccs1 ZINC000083143180 388045390 /nfs/dbraw/zinc/04/53/90/388045390.db2.gz IGACOIGIJVIQBH-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1nccs1 ZINC000083143181 388046181 /nfs/dbraw/zinc/04/61/81/388046181.db2.gz IGACOIGIJVIQBH-SRVKXCTJSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000083143381 388046239 /nfs/dbraw/zinc/04/62/39/388046239.db2.gz OUOSGFWOGIXPGY-CXQJBGSLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000083143382 388046210 /nfs/dbraw/zinc/04/62/10/388046210.db2.gz OUOSGFWOGIXPGY-MOENNCHZSA-N 1 0 238.400 3.620 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000083188482 384748233 /nfs/dbraw/zinc/74/82/33/384748233.db2.gz AEOMTHGFLNCEBK-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000083188492 256751241 /nfs/dbraw/zinc/75/12/41/256751241.db2.gz KHTDSPMQJKTUBS-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000083188495 387402500 /nfs/dbraw/zinc/40/25/00/387402500.db2.gz KHTDSPMQJKTUBS-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO c1csc(C2([NH2+][C@H]3C=CCCC3)CCCC2)n1 ZINC000083215082 384752606 /nfs/dbraw/zinc/75/26/06/384752606.db2.gz JNDXRTHEVPZJGC-LBPRGKRZSA-N 1 0 248.395 3.611 20 0 BHADRO c1csc(C2([NH2+][C@@H]3C=CCCC3)CCCC2)n1 ZINC000083215084 384752475 /nfs/dbraw/zinc/75/24/75/384752475.db2.gz JNDXRTHEVPZJGC-GFCCVEGCSA-N 1 0 248.395 3.611 20 0 BHADRO c1cc2cc(C[NH2+]C3CCCCCC3)ccc2[nH]1 ZINC000083251084 183374809 /nfs/dbraw/zinc/37/48/09/183374809.db2.gz SXRZSULTKGCHMS-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CCCC[NH2+]Cc1ccc(CCC)cc1 ZINC000083344530 343582686 /nfs/dbraw/zinc/58/26/86/343582686.db2.gz UNBQWYRXOOEEDB-UHFFFAOYSA-N 1 0 205.345 3.529 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C1CCCCC1 ZINC000083349125 179037409 /nfs/dbraw/zinc/03/74/09/179037409.db2.gz ZNVSAPBTEABIGC-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccc(CC[NH2+]CCC(C)(C)C)cc1 ZINC000083350164 387404388 /nfs/dbraw/zinc/40/43/88/387404388.db2.gz BLOZOTCKVBQLMH-UHFFFAOYSA-N 1 0 219.372 3.563 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C)cc1C ZINC000083350168 178604195 /nfs/dbraw/zinc/60/41/95/178604195.db2.gz KYOHCOWUFJWNEJ-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000083350169 168361331 /nfs/dbraw/zinc/36/13/31/168361331.db2.gz NLPPOAJLJGPTEQ-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO Cc1cccc(C[NH2+]CCC(C)(C)C)c1C ZINC000083350172 179089549 /nfs/dbraw/zinc/08/95/49/179089549.db2.gz VRNJOWKXIWKOFW-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc(C)c1C ZINC000083350173 168361249 /nfs/dbraw/zinc/36/12/49/168361249.db2.gz FAFCSOISCPRXQZ-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)C)ccc1F ZINC000083353003 178021501 /nfs/dbraw/zinc/02/15/01/178021501.db2.gz HHIGUNHSMLJUGX-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000083353004 168361735 /nfs/dbraw/zinc/36/17/35/168361735.db2.gz UMEYFQXNOYEQHE-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO Cc1c[nH+]ccc1NC/C=C/c1ccccc1 ZINC000083353531 388049247 /nfs/dbraw/zinc/04/92/47/388049247.db2.gz JWTHOAADYMTQRK-VMPITWQZSA-N 1 0 224.307 3.515 20 0 BHADRO Cc1c[nH+]ccc1NC[C@@H](C)c1ccccc1 ZINC000083354822 387405236 /nfs/dbraw/zinc/40/52/36/387405236.db2.gz HXRFODAXIJEJIT-GFCCVEGCSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1c[nH+]ccc1NC[C@H](C)c1ccccc1 ZINC000083354823 387404599 /nfs/dbraw/zinc/40/45/99/387404599.db2.gz HXRFODAXIJEJIT-LBPRGKRZSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1cccc(C)c1CNc1cc[nH+]cc1C ZINC000083354827 643434616 /nfs/dbraw/zinc/43/46/16/643434616.db2.gz AOORPEZJKBXBSR-UHFFFAOYSA-N 1 0 226.323 3.619 20 0 BHADRO Cc1cccc(NC[C@@H](C)c2ccccc2)[nH+]1 ZINC000083354871 179146562 /nfs/dbraw/zinc/14/65/62/179146562.db2.gz HDULRMGOLUSTDF-GFCCVEGCSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1cccc(NC[C@H](C)c2ccccc2)[nH+]1 ZINC000083354872 179148975 /nfs/dbraw/zinc/14/89/75/179148975.db2.gz HDULRMGOLUSTDF-LBPRGKRZSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H](C)c2ccccc2)c1 ZINC000083354882 387404650 /nfs/dbraw/zinc/40/46/50/387404650.db2.gz PBNUSPJWYFZCTH-CYBMUJFWSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1cc[nH+]c(NC[C@H](C)c2ccccc2)c1 ZINC000083354883 387403827 /nfs/dbraw/zinc/40/38/27/387403827.db2.gz PBNUSPJWYFZCTH-ZDUSSCGKSA-N 1 0 226.323 3.606 20 0 BHADRO CCCCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000083355451 631424166 /nfs/dbraw/zinc/42/41/66/631424166.db2.gz IBKHYHNRPCKUJK-UHFFFAOYSA-N 1 0 227.298 3.635 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+]C1CCCC1 ZINC000083355786 384761051 /nfs/dbraw/zinc/76/10/51/384761051.db2.gz DRDJCMBGYZQLBA-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]C2CCCC2)c1 ZINC000083355787 387403750 /nfs/dbraw/zinc/40/37/50/387403750.db2.gz CJOSEJJEGDAVOJ-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO c1cc2cccc(C[NH2+]C3CCCCC3)c2[nH]1 ZINC000083356301 183348517 /nfs/dbraw/zinc/34/85/17/183348517.db2.gz KOUGOJGDIFNDID-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000083356953 343585791 /nfs/dbraw/zinc/58/57/91/343585791.db2.gz KQIWZVDQAHNQQN-UHFFFAOYSA-N 1 0 229.323 3.522 20 0 BHADRO CC(C)CC[NH2+]Cc1cc(Cl)ccc1F ZINC000083357089 387404094 /nfs/dbraw/zinc/40/40/94/387404094.db2.gz DFMVLMVLMOLPPN-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CCCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000083357090 387404644 /nfs/dbraw/zinc/40/46/44/387404644.db2.gz UILMMNQCPSXHHH-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CCCCC[NH2+]Cc1cccc(Cl)c1F ZINC000083357091 384762612 /nfs/dbraw/zinc/76/26/12/384762612.db2.gz NGFXSUKRKWYQGN-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CCCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000083357092 387404506 /nfs/dbraw/zinc/40/45/06/387404506.db2.gz KEHNWKVTFCBWRG-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CCCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000083357093 387404802 /nfs/dbraw/zinc/40/48/02/387404802.db2.gz JZUQCJBNLJJCEZ-UHFFFAOYSA-N 1 0 229.726 3.759 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000083357095 387404406 /nfs/dbraw/zinc/40/44/06/387404406.db2.gz OEVLGOOPGMHWGU-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC(C)CC[NH2+]Cc1cccc(Cl)c1F ZINC000083357096 384762760 /nfs/dbraw/zinc/76/27/60/384762760.db2.gz UPSWTKHHKKXJRM-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC(C)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000083357097 398109750 /nfs/dbraw/zinc/10/97/50/398109750.db2.gz HFLOYWQDEYLQPX-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CCCCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000083357665 643438127 /nfs/dbraw/zinc/43/81/27/643438127.db2.gz NYGLLKASOICZAG-UHFFFAOYSA-N 1 0 230.355 3.838 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1cccs1 ZINC000083358363 179037686 /nfs/dbraw/zinc/03/76/86/179037686.db2.gz DCUAPQOUPDZKSW-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000083362783 169361150 /nfs/dbraw/zinc/36/11/50/169361150.db2.gz MVUJGOHWSKCTNX-CHWSQXEVSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000083362784 169483730 /nfs/dbraw/zinc/48/37/30/169483730.db2.gz MVUJGOHWSKCTNX-QWHCGFSZSA-N 1 0 235.371 3.782 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000083362785 384765357 /nfs/dbraw/zinc/76/53/57/384765357.db2.gz XBUNZEXVRGKVOR-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000083362786 168364844 /nfs/dbraw/zinc/36/48/44/168364844.db2.gz YSXVEAQOTGTYFX-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1ccc(C[NH2+]CC(CC)CC)cc1 ZINC000083362814 387404480 /nfs/dbraw/zinc/40/44/80/387404480.db2.gz FTTWXQCKDPMBFG-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO Clc1cnccc1C[NH2+]C1CCCCCC1 ZINC000083366589 384774430 /nfs/dbraw/zinc/77/44/30/384774430.db2.gz BRZQTAILPWLZEK-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000083367143 350167405 /nfs/dbraw/zinc/16/74/05/350167405.db2.gz DQBJXJVMPPSQTD-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000083367144 176080636 /nfs/dbraw/zinc/08/06/36/176080636.db2.gz ZPXIPURSKKHSDP-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000083367145 177082983 /nfs/dbraw/zinc/08/29/83/177082983.db2.gz ZPXIPURSKKHSDP-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000083367146 176088773 /nfs/dbraw/zinc/08/87/73/176088773.db2.gz ZPXIPURSKKHSDP-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000083367147 177088705 /nfs/dbraw/zinc/08/87/05/177088705.db2.gz ZPXIPURSKKHSDP-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1c(C)cccc1C ZINC000083367369 179283043 /nfs/dbraw/zinc/28/30/43/179283043.db2.gz IYQGEOOWFCAOBR-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccc(C)cc2)cc1 ZINC000083367370 343586802 /nfs/dbraw/zinc/58/68/02/343586802.db2.gz HREJAZDVCKTEEF-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccccc2C)cc1 ZINC000083367372 343586857 /nfs/dbraw/zinc/58/68/57/343586857.db2.gz ZOCQRKRDTIVEDO-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cccc(C)c2)cc1 ZINC000083367373 384775159 /nfs/dbraw/zinc/77/51/59/384775159.db2.gz MEFYCNVEXZCGEQ-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO Cc1ccc(C[NH2+]Cc2c(C)cccc2C)cc1 ZINC000083367376 631423066 /nfs/dbraw/zinc/42/30/66/631423066.db2.gz IMPCTHVDXXIYDA-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]C2CCCCC2)c1 ZINC000083369982 180949362 /nfs/dbraw/zinc/94/93/62/180949362.db2.gz TZHCIEXPGGUENR-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO c1csc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000083370737 384766799 /nfs/dbraw/zinc/76/67/99/384766799.db2.gz YYKSAXUGRNEILQ-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CC1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000083370773 135446543 /nfs/dbraw/zinc/44/65/43/135446543.db2.gz YHLYRYYOKOECRI-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000083370775 176081060 /nfs/dbraw/zinc/08/10/60/176081060.db2.gz JGZQNAKZRPNLFC-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000083370776 177083667 /nfs/dbraw/zinc/08/36/67/177083667.db2.gz JGZQNAKZRPNLFC-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000083370777 176088456 /nfs/dbraw/zinc/08/84/56/176088456.db2.gz JGZQNAKZRPNLFC-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000083370778 177088549 /nfs/dbraw/zinc/08/85/49/177088549.db2.gz JGZQNAKZRPNLFC-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO c1cc2cccc(C[NH2+]C3CCCCCC3)c2[nH]1 ZINC000083370787 183349238 /nfs/dbraw/zinc/34/92/38/183349238.db2.gz MKIZJSONHDTPSS-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO Fc1cc(F)c(C[NH2+]C2CCCCC2)cc1F ZINC000083371413 387405459 /nfs/dbraw/zinc/40/54/59/387405459.db2.gz JFRWURPUSGXTDT-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO Fc1ccc(C[NH2+]C2CCCCC2)c(F)c1F ZINC000083371414 487909732 /nfs/dbraw/zinc/90/97/32/487909732.db2.gz HWYPCWLPZMDJQZ-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO Fc1cc(F)c(C[NH2+]C2CCCCC2)c(F)c1 ZINC000083371415 384764391 /nfs/dbraw/zinc/76/43/91/384764391.db2.gz YHKJUWQLKORZPR-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cc(F)ccc1C ZINC000083371854 179283085 /nfs/dbraw/zinc/28/30/85/179283085.db2.gz ASEOPTFAQPSWQA-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cccc(C)c1F ZINC000083371855 179283273 /nfs/dbraw/zinc/28/32/73/179283273.db2.gz RQHFAMIMKRFQLX-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1ccccc1F ZINC000083371856 179037260 /nfs/dbraw/zinc/03/72/60/179037260.db2.gz ZPMPNAVVOQDVRS-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1cccc(F)c1 ZINC000083371857 179036800 /nfs/dbraw/zinc/03/68/00/179036800.db2.gz BOOKPYAODXMJJV-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000083371865 387404554 /nfs/dbraw/zinc/40/45/54/387404554.db2.gz BSMCVRYJSIJSJH-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000083371866 384764754 /nfs/dbraw/zinc/76/47/54/384764754.db2.gz BSMCVRYJSIJSJH-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1F ZINC000083371867 179098898 /nfs/dbraw/zinc/09/88/98/179098898.db2.gz BGLLRKRUOLDWER-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccccc2)c1F ZINC000083371868 179100213 /nfs/dbraw/zinc/10/02/13/179100213.db2.gz BGLLRKRUOLDWER-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000083371869 387407378 /nfs/dbraw/zinc/40/73/78/387407378.db2.gz MDEWGBDHQMDHCQ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C)c2F)cc1 ZINC000083371870 387406615 /nfs/dbraw/zinc/40/66/15/387406615.db2.gz XDWNMNGGXCEXKR-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO CSc1ccc(CNc2cc[nH+]cc2C)cc1 ZINC000083373061 322960048 /nfs/dbraw/zinc/96/00/48/322960048.db2.gz WQDXIVSTYNSJPJ-UHFFFAOYSA-N 1 0 244.363 3.724 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccc(C)cc2)s1 ZINC000083374544 398048568 /nfs/dbraw/zinc/04/85/68/398048568.db2.gz ZEDJSGCKRCGFGP-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000083374545 398048532 /nfs/dbraw/zinc/04/85/32/398048532.db2.gz BLQQYZLIQWZLKF-UHFFFAOYSA-N 1 0 245.391 3.990 20 0 BHADRO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000083376171 643443877 /nfs/dbraw/zinc/44/38/77/643443877.db2.gz OKYNICBRWKRJMR-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000083376172 643444362 /nfs/dbraw/zinc/44/43/62/643444362.db2.gz OKYNICBRWKRJMR-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1 ZINC000083376173 643443573 /nfs/dbraw/zinc/44/35/73/643443573.db2.gz DRCRMVCOSTXKGR-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1 ZINC000083376174 643443523 /nfs/dbraw/zinc/44/35/23/643443523.db2.gz DRCRMVCOSTXKGR-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccccc1 ZINC000083376175 388050303 /nfs/dbraw/zinc/05/03/03/388050303.db2.gz QDPRWJVWSBMKPS-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccccc1 ZINC000083376176 388050274 /nfs/dbraw/zinc/05/02/74/388050274.db2.gz QDPRWJVWSBMKPS-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000083376837 179282892 /nfs/dbraw/zinc/28/28/92/179282892.db2.gz QQWDYYORRJREFV-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]Cc1ccccc1F ZINC000083376838 387407180 /nfs/dbraw/zinc/40/71/80/387407180.db2.gz ZAQBCQRYAJYLBH-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]Cc1cccc(F)c1 ZINC000083376840 384767704 /nfs/dbraw/zinc/76/77/04/384767704.db2.gz YJAOUQXNANVFEH-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000083376845 387406248 /nfs/dbraw/zinc/40/62/48/387406248.db2.gz GOPGRRUAJPEDKZ-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000083376853 387406387 /nfs/dbraw/zinc/40/63/87/387406387.db2.gz LSBZDQVUQSZNJO-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000083376854 387407426 /nfs/dbraw/zinc/40/74/26/387407426.db2.gz LSBZDQVUQSZNJO-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000083380141 167008512 /nfs/dbraw/zinc/00/85/12/167008512.db2.gz XAULVHDIDOAQNY-UHFFFAOYSA-N 1 0 249.251 3.590 20 0 BHADRO CC(C)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000083380142 167007542 /nfs/dbraw/zinc/00/75/42/167007542.db2.gz ILBPOGIJWKTVGF-UHFFFAOYSA-N 1 0 249.251 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000083380143 387406046 /nfs/dbraw/zinc/40/60/46/387406046.db2.gz UTGYDQUTBIUFFL-MRVPVSSYSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000083380144 171343347 /nfs/dbraw/zinc/34/33/47/171343347.db2.gz UTGYDQUTBIUFFL-QMMMGPOBSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000083380145 188141799 /nfs/dbraw/zinc/14/17/99/188141799.db2.gz LVFNCCKLLYAWOA-MRVPVSSYSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000083380146 171342898 /nfs/dbraw/zinc/34/28/98/171342898.db2.gz LVFNCCKLLYAWOA-QMMMGPOBSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000083380149 387407193 /nfs/dbraw/zinc/40/71/93/387407193.db2.gz PUJKQHIHOVYSEY-MRVPVSSYSA-N 1 0 249.251 3.733 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000083380150 171342538 /nfs/dbraw/zinc/34/25/38/171342538.db2.gz PUJKQHIHOVYSEY-QMMMGPOBSA-N 1 0 249.251 3.733 20 0 BHADRO CC(C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000083380151 167008346 /nfs/dbraw/zinc/00/83/46/167008346.db2.gz BAWYOLSBDKRAAL-UHFFFAOYSA-N 1 0 249.251 3.590 20 0 BHADRO CCCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000083380154 387406156 /nfs/dbraw/zinc/40/61/56/387406156.db2.gz PDOKQOVHWGSWGU-UHFFFAOYSA-N 1 0 249.251 3.734 20 0 BHADRO CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000083380156 398280813 /nfs/dbraw/zinc/28/08/13/398280813.db2.gz REMJESURMYGIRK-UHFFFAOYSA-N 1 0 249.251 3.734 20 0 BHADRO CCCc1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000083381688 343592003 /nfs/dbraw/zinc/59/20/03/343592003.db2.gz VFIFOHHXYJJIMG-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CCCCOCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000083381689 256751160 /nfs/dbraw/zinc/75/11/60/256751160.db2.gz YCGOUSIVDCWYBU-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO CCCCOCCC[NH2+]Cc1cc(C)ccc1C ZINC000083381690 387407736 /nfs/dbraw/zinc/40/77/36/387407736.db2.gz PNRHIFIMRSNCAR-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO CCCCOCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000083381691 168895678 /nfs/dbraw/zinc/89/56/78/168895678.db2.gz QLQMFQSRBAKOHV-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO CCCCOCCC[NH2+]Cc1c(C)cccc1C ZINC000083381692 387407607 /nfs/dbraw/zinc/40/76/07/387407607.db2.gz BAPHTPKRCCXKSK-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO CCCCOCCC[NH2+]Cc1cccc(C)c1C ZINC000083381693 168895929 /nfs/dbraw/zinc/89/59/29/168895929.db2.gz HQTCFASIFWJJRR-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO CCOc1cccc(CC[NH2+]CCC(C)(C)C)c1 ZINC000083381710 387407591 /nfs/dbraw/zinc/40/75/91/387407591.db2.gz HLQOUNDYTUZYHT-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]Cc2ccccc2)c1 ZINC000083381947 387406174 /nfs/dbraw/zinc/40/61/74/387406174.db2.gz YJHGKAWXNWWQFB-UHFFFAOYSA-N 1 0 249.716 3.769 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccc(F)c1 ZINC000083387854 256751871 /nfs/dbraw/zinc/75/18/71/256751871.db2.gz ZVFRRZBAJZBDFN-UHFFFAOYSA-N 1 0 223.335 3.884 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(Cl)o1 ZINC000083387863 387406351 /nfs/dbraw/zinc/40/63/51/387406351.db2.gz HQHSGNPCASHLJJ-UHFFFAOYSA-N 1 0 229.751 3.991 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccsc1 ZINC000083387870 387406959 /nfs/dbraw/zinc/40/69/59/387406959.db2.gz KIRZXLYFAVFCQN-UHFFFAOYSA-N 1 0 211.374 3.807 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1ccccc1 ZINC000083387893 387407680 /nfs/dbraw/zinc/40/76/80/387407680.db2.gz ASRHFYPHNOYRMG-UHFFFAOYSA-N 1 0 219.372 3.788 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccs1 ZINC000083387921 387406999 /nfs/dbraw/zinc/40/69/99/387406999.db2.gz IRUUPOCYDJVVBK-UHFFFAOYSA-N 1 0 211.374 3.807 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@H]1CC=CCC1 ZINC000083387923 387406090 /nfs/dbraw/zinc/40/60/90/387406090.db2.gz LNHPKAUYGIRHKA-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@@H]1CC=CCC1 ZINC000083387924 387407409 /nfs/dbraw/zinc/40/74/09/387407409.db2.gz LNHPKAUYGIRHKA-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1csc(C)n1 ZINC000083387925 168317708 /nfs/dbraw/zinc/31/77/08/168317708.db2.gz QQWIBBQUWGLZQJ-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cnc(C)s1 ZINC000083387927 168317952 /nfs/dbraw/zinc/31/79/52/168317952.db2.gz XMLVQHUMPZFAKJ-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccccc1 ZINC000083387939 259338439 /nfs/dbraw/zinc/33/84/39/259338439.db2.gz RRCNCNGEEZJRNJ-UHFFFAOYSA-N 1 0 205.345 3.745 20 0 BHADRO CCc1ncc(C[NH2+]C(CC)(CC)CC)s1 ZINC000083387945 259338146 /nfs/dbraw/zinc/33/81/46/259338146.db2.gz GLEBOBMTVTUYDQ-UHFFFAOYSA-N 1 0 240.416 3.764 20 0 BHADRO CCc1nc(C[NH2+]C(CC)(CC)CC)cs1 ZINC000083388015 259338466 /nfs/dbraw/zinc/33/84/66/259338466.db2.gz KGGOOYPKEZRUOS-UHFFFAOYSA-N 1 0 240.416 3.764 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1cccs1 ZINC000083388093 643444353 /nfs/dbraw/zinc/44/43/53/643444353.db2.gz VLYNDBAQZWQVJO-UHFFFAOYSA-N 1 0 225.401 3.849 20 0 BHADRO CCC(CC)(CC)[NH2+]CCOCCC(C)C ZINC000083388134 259338271 /nfs/dbraw/zinc/33/82/71/259338271.db2.gz DEOCDXXKORBEED-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1scnc1C ZINC000083388137 259337963 /nfs/dbraw/zinc/33/79/63/259337963.db2.gz MLIJUAROYGEHFS-UHFFFAOYSA-N 1 0 240.416 3.552 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000083389866 256752423 /nfs/dbraw/zinc/75/24/23/256752423.db2.gz XRLMEZRLKRIEKU-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000083389867 387406820 /nfs/dbraw/zinc/40/68/20/387406820.db2.gz XRLMEZRLKRIEKU-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000083389868 256752419 /nfs/dbraw/zinc/75/24/19/256752419.db2.gz XRLMEZRLKRIEKU-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000083389869 256752125 /nfs/dbraw/zinc/75/21/25/256752125.db2.gz XRLMEZRLKRIEKU-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000083390666 387407695 /nfs/dbraw/zinc/40/76/95/387407695.db2.gz NFPXKIIUROGQLR-OCCSQVGLSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000083390667 387406139 /nfs/dbraw/zinc/40/61/39/387406139.db2.gz NFPXKIIUROGQLR-JSGCOSHPSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000083390668 256752435 /nfs/dbraw/zinc/75/24/35/256752435.db2.gz NFPXKIIUROGQLR-TZMCWYRMSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000083390669 387407753 /nfs/dbraw/zinc/40/77/53/387407753.db2.gz NFPXKIIUROGQLR-GXTWGEPZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000083391260 259338087 /nfs/dbraw/zinc/33/80/87/259338087.db2.gz JRNVVPOWJSBLII-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000083391262 259338270 /nfs/dbraw/zinc/33/82/70/259338270.db2.gz JRNVVPOWJSBLII-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000083391264 387407495 /nfs/dbraw/zinc/40/74/95/387407495.db2.gz JRNVVPOWJSBLII-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000083391266 256752020 /nfs/dbraw/zinc/75/20/20/256752020.db2.gz JRNVVPOWJSBLII-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)s1 ZINC000083391820 259338282 /nfs/dbraw/zinc/33/82/82/259338282.db2.gz YVOAFSPSFURVBF-COPLHBTASA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)s1 ZINC000083391825 259338122 /nfs/dbraw/zinc/33/81/22/259338122.db2.gz YVOAFSPSFURVBF-MJVIPROJSA-N 1 0 237.412 3.766 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083397467 631424866 /nfs/dbraw/zinc/42/48/66/631424866.db2.gz ZAGUUDPEBNLSDT-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083397469 631425245 /nfs/dbraw/zinc/42/52/45/631425245.db2.gz ZAGUUDPEBNLSDT-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000083397472 631425434 /nfs/dbraw/zinc/42/54/34/631425434.db2.gz ZAGUUDPEBNLSDT-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000083397475 631425493 /nfs/dbraw/zinc/42/54/93/631425493.db2.gz ZAGUUDPEBNLSDT-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CSCCCNc1cc(C)[nH+]c2ccccc12 ZINC000083408394 388051457 /nfs/dbraw/zinc/05/14/57/388051457.db2.gz RZUSMTPEABOBCW-UHFFFAOYSA-N 1 0 246.379 3.708 20 0 BHADRO C=CCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000083423557 643449623 /nfs/dbraw/zinc/44/96/23/643449623.db2.gz UCBFLUVJCPOJAR-UHFFFAOYSA-N 1 0 233.330 3.581 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000083425367 643451437 /nfs/dbraw/zinc/45/14/37/643451437.db2.gz SNXWPMLNCXBUQK-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000083425368 643451191 /nfs/dbraw/zinc/45/11/91/643451191.db2.gz SNXWPMLNCXBUQK-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000083425369 643452061 /nfs/dbraw/zinc/45/20/61/643452061.db2.gz SNXWPMLNCXBUQK-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000083425370 643452021 /nfs/dbraw/zinc/45/20/21/643452021.db2.gz SNXWPMLNCXBUQK-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)CC1 ZINC000083427188 387416609 /nfs/dbraw/zinc/41/66/09/387416609.db2.gz AUIJJJXJNOVOAV-NEPJUHHUSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cccs2)CC1 ZINC000083427189 387416727 /nfs/dbraw/zinc/41/67/27/387416727.db2.gz AUIJJJXJNOVOAV-RYUDHWBXSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)CC1 ZINC000083427190 387416466 /nfs/dbraw/zinc/41/64/66/387416466.db2.gz AUIJJJXJNOVOAV-VXGBXAGGSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)CC1 ZINC000083427191 387416570 /nfs/dbraw/zinc/41/65/70/387416570.db2.gz AUIJJJXJNOVOAV-NWDGAFQWSA-N 1 0 223.385 3.807 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427308 343599994 /nfs/dbraw/zinc/59/99/94/343599994.db2.gz XSPKSKOUSWJQMT-RDBSUJKOSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427309 343599998 /nfs/dbraw/zinc/59/99/98/343599998.db2.gz XSPKSKOUSWJQMT-IHRRRGAJSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427310 343599852 /nfs/dbraw/zinc/59/98/52/343599852.db2.gz XSPKSKOUSWJQMT-HZSPNIEDSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427311 343599967 /nfs/dbraw/zinc/59/99/67/343599967.db2.gz XSPKSKOUSWJQMT-MELADBBJSA-N 1 0 211.393 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccco1 ZINC000083427338 135448364 /nfs/dbraw/zinc/44/83/64/135448364.db2.gz VYLBTJXOJMIREJ-AGIUHOORSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccco1 ZINC000083427340 388052864 /nfs/dbraw/zinc/05/28/64/388052864.db2.gz VYLBTJXOJMIREJ-FRRDWIJNSA-N 1 0 221.344 3.899 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C)CC2)n1 ZINC000083427772 643451948 /nfs/dbraw/zinc/45/19/48/643451948.db2.gz MMJAXKLUABZUDA-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@H](C)CC2)n1 ZINC000083427773 643451288 /nfs/dbraw/zinc/45/12/88/643451288.db2.gz MMJAXKLUABZUDA-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)n1 ZINC000083427774 635330815 /nfs/dbraw/zinc/33/08/15/635330815.db2.gz MMJAXKLUABZUDA-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@@H](C)CC2)n1 ZINC000083427775 635331766 /nfs/dbraw/zinc/33/17/66/635331766.db2.gz MMJAXKLUABZUDA-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCC[C@H](C)CC2)s1 ZINC000083427804 635332455 /nfs/dbraw/zinc/33/24/55/635332455.db2.gz PXFUSEATIGMANP-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCC[C@H](C)CC2)s1 ZINC000083427805 635331182 /nfs/dbraw/zinc/33/11/82/635331182.db2.gz PXFUSEATIGMANP-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)s1 ZINC000083427806 635330658 /nfs/dbraw/zinc/33/06/58/635330658.db2.gz PXFUSEATIGMANP-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCC[C@@H](C)CC2)s1 ZINC000083427807 643452066 /nfs/dbraw/zinc/45/20/66/643452066.db2.gz PXFUSEATIGMANP-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cs1 ZINC000083427808 635331157 /nfs/dbraw/zinc/33/11/57/635331157.db2.gz HAUOFASWAULRAV-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCC[C@H](C)CC2)cs1 ZINC000083427809 643451417 /nfs/dbraw/zinc/45/14/17/643451417.db2.gz HAUOFASWAULRAV-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cs1 ZINC000083427810 643451528 /nfs/dbraw/zinc/45/15/28/643451528.db2.gz HAUOFASWAULRAV-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cs1 ZINC000083427811 635335079 /nfs/dbraw/zinc/33/50/79/635335079.db2.gz HAUOFASWAULRAV-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)o1 ZINC000083427964 135449210 /nfs/dbraw/zinc/44/92/10/135449210.db2.gz RTWXKYAQWJLVHU-WCQYABFASA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)o1 ZINC000083427965 135449121 /nfs/dbraw/zinc/44/91/21/135449121.db2.gz RTWXKYAQWJLVHU-AAEUAGOBSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)o1 ZINC000083427966 135448717 /nfs/dbraw/zinc/44/87/17/135448717.db2.gz RTWXKYAQWJLVHU-DGCLKSJQSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)o1 ZINC000083427967 388052712 /nfs/dbraw/zinc/05/27/12/388052712.db2.gz RTWXKYAQWJLVHU-YPMHNXCESA-N 1 0 221.344 3.646 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC000083428006 384302939 /nfs/dbraw/zinc/30/29/39/384302939.db2.gz MTKLLITXHUSVIT-YPMHNXCESA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC000083428007 384303585 /nfs/dbraw/zinc/30/35/85/384303585.db2.gz MTKLLITXHUSVIT-AAEUAGOBSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)CC1 ZINC000083428008 135449084 /nfs/dbraw/zinc/44/90/84/135449084.db2.gz MTKLLITXHUSVIT-DGCLKSJQSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)CC1 ZINC000083428009 384304392 /nfs/dbraw/zinc/30/43/92/384304392.db2.gz MTKLLITXHUSVIT-WCQYABFASA-N 1 0 223.385 3.807 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083428014 135449458 /nfs/dbraw/zinc/44/94/58/135449458.db2.gz OPYPEICVANZNCC-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083428015 388053385 /nfs/dbraw/zinc/05/33/85/388053385.db2.gz OPYPEICVANZNCC-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083428016 388052725 /nfs/dbraw/zinc/05/27/25/388052725.db2.gz OPYPEICVANZNCC-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083428017 388053112 /nfs/dbraw/zinc/05/31/12/388053112.db2.gz OPYPEICVANZNCC-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083428074 387416547 /nfs/dbraw/zinc/41/65/47/387416547.db2.gz FWQOWUMWPUDOAS-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083428076 387416043 /nfs/dbraw/zinc/41/60/43/387416043.db2.gz FWQOWUMWPUDOAS-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000083428122 350211052 /nfs/dbraw/zinc/21/10/52/350211052.db2.gz GJCDCKCTTCCWIN-WOPDTQHZSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000083428124 350211296 /nfs/dbraw/zinc/21/12/96/350211296.db2.gz GJCDCKCTTCCWIN-GRYCIOLGSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000083435632 487912741 /nfs/dbraw/zinc/91/27/41/487912741.db2.gz RJHCCOYGJJJEGN-NEPJUHHUSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000083435633 487912849 /nfs/dbraw/zinc/91/28/49/487912849.db2.gz RJHCCOYGJJJEGN-RYUDHWBXSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000083435634 487912768 /nfs/dbraw/zinc/91/27/68/487912768.db2.gz RJHCCOYGJJJEGN-VXGBXAGGSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000083435635 487912870 /nfs/dbraw/zinc/91/28/70/487912870.db2.gz RJHCCOYGJJJEGN-NWDGAFQWSA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000083435636 351326392 /nfs/dbraw/zinc/32/63/92/351326392.db2.gz OYIVAMCIXDHYOF-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000083435637 351326350 /nfs/dbraw/zinc/32/63/50/351326350.db2.gz OYIVAMCIXDHYOF-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435788 487912820 /nfs/dbraw/zinc/91/28/20/487912820.db2.gz IVHOAXXEGGXGFQ-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435789 487912588 /nfs/dbraw/zinc/91/25/88/487912588.db2.gz IVHOAXXEGGXGFQ-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435790 487912518 /nfs/dbraw/zinc/91/25/18/487912518.db2.gz IVHOAXXEGGXGFQ-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435791 487912675 /nfs/dbraw/zinc/91/26/75/487912675.db2.gz IVHOAXXEGGXGFQ-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435792 368776814 /nfs/dbraw/zinc/77/68/14/368776814.db2.gz KFKCMOZNIJENEW-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCC(F)(F)F)CC1 ZINC000083435793 368777281 /nfs/dbraw/zinc/77/72/81/368777281.db2.gz KFKCMOZNIJENEW-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000083435824 487912985 /nfs/dbraw/zinc/91/29/85/487912985.db2.gz CCBZMKJVJCCAIU-NEPJUHHUSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000083435825 487912932 /nfs/dbraw/zinc/91/29/32/487912932.db2.gz CCBZMKJVJCCAIU-RYUDHWBXSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000083435826 487912835 /nfs/dbraw/zinc/91/28/35/487912835.db2.gz CCBZMKJVJCCAIU-VXGBXAGGSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000083435827 487912631 /nfs/dbraw/zinc/91/26/31/487912631.db2.gz CCBZMKJVJCCAIU-NWDGAFQWSA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000083435828 487912842 /nfs/dbraw/zinc/91/28/42/487912842.db2.gz GIFUYRJJSFJASE-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000083435829 487912893 /nfs/dbraw/zinc/91/28/93/487912893.db2.gz GIFUYRJJSFJASE-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CC2)CC1 ZINC000083437188 387416566 /nfs/dbraw/zinc/41/65/66/387416566.db2.gz CRUKIUCWRLNDRL-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CC2)CC1 ZINC000083437189 387416235 /nfs/dbraw/zinc/41/62/35/387416235.db2.gz CRUKIUCWRLNDRL-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC2)CC1 ZINC000083437190 387415931 /nfs/dbraw/zinc/41/59/31/387415931.db2.gz CRUKIUCWRLNDRL-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CC2)CC1 ZINC000083437191 387415849 /nfs/dbraw/zinc/41/58/49/387415849.db2.gz CRUKIUCWRLNDRL-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[NH2+]Cc1cccc(-c2ccsc2)c1 ZINC000083446858 487913566 /nfs/dbraw/zinc/91/35/66/487913566.db2.gz YBTGWKPBTJOHTB-UHFFFAOYSA-N 1 0 231.364 3.913 20 0 BHADRO c1cc(-c2cccc(C[NH2+]C3CC3)c2)cs1 ZINC000083446878 487913474 /nfs/dbraw/zinc/91/34/74/487913474.db2.gz FMYXSKFWADQSFK-UHFFFAOYSA-N 1 0 229.348 3.667 20 0 BHADRO CC(C)[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC000083446913 487913516 /nfs/dbraw/zinc/91/35/16/487913516.db2.gz OIDXPYHAKYXJGS-UHFFFAOYSA-N 1 0 231.364 3.913 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]Cc2ccco2)cc1 ZINC000083477817 388642293 /nfs/dbraw/zinc/64/22/93/388642293.db2.gz WKKIOYKNXPOXLC-UHFFFAOYSA-N 1 0 243.350 3.867 20 0 BHADRO CCC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000083501683 387412205 /nfs/dbraw/zinc/41/22/05/387412205.db2.gz XTBXSUWPANADQW-AWEZNQCLSA-N 1 0 237.412 3.803 20 0 BHADRO CCC[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000083501684 387412780 /nfs/dbraw/zinc/41/27/80/387412780.db2.gz XTBXSUWPANADQW-CQSZACIVSA-N 1 0 237.412 3.803 20 0 BHADRO COc1ccc(C[NH2+]CC(C)C)c2ccccc12 ZINC000083551189 387417908 /nfs/dbraw/zinc/41/79/08/387417908.db2.gz SOZMQSQJZMDAKO-UHFFFAOYSA-N 1 0 243.350 3.594 20 0 BHADRO CCCC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000083551194 387418660 /nfs/dbraw/zinc/41/86/60/387418660.db2.gz QTXICCSNWDBGSE-UHFFFAOYSA-N 1 0 243.350 3.738 20 0 BHADRO CC(C)C[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000083571064 350243078 /nfs/dbraw/zinc/24/30/78/350243078.db2.gz MEEGCNPNKXPRSC-UHFFFAOYSA-N 1 0 231.383 3.645 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)c2cccs2)o1 ZINC000083601857 387419708 /nfs/dbraw/zinc/41/97/08/387419708.db2.gz YJYZYWDMGSHYPN-UHFFFAOYSA-N 1 0 249.379 3.717 20 0 BHADRO c1cc(C[NH2+]Cc2coc3ccccc23)cs1 ZINC000083601907 388056499 /nfs/dbraw/zinc/05/64/99/388056499.db2.gz WTZSDXDPNASSKF-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO Cc1ccc(C[NH2+]Cc2coc3ccccc23)o1 ZINC000083601938 388056528 /nfs/dbraw/zinc/05/65/28/388056528.db2.gz LXTCIRKWKPCETA-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCOCCC(C)C)C1 ZINC000083640340 259338119 /nfs/dbraw/zinc/33/81/19/259338119.db2.gz ZCSUOMHTIRESGQ-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCOCCC(C)C)C1 ZINC000083640341 259338419 /nfs/dbraw/zinc/33/84/19/259338419.db2.gz ZCSUOMHTIRESGQ-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCOCCC(C)C)C1 ZINC000083640343 259338631 /nfs/dbraw/zinc/33/86/31/259338631.db2.gz ZCSUOMHTIRESGQ-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCOCCC(C)C)C1 ZINC000083640345 259338717 /nfs/dbraw/zinc/33/87/17/259338717.db2.gz ZCSUOMHTIRESGQ-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000083685295 387419785 /nfs/dbraw/zinc/41/97/85/387419785.db2.gz GDBWDGHGWSNVEY-NSHDSACASA-N 1 0 209.308 3.503 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000083685297 256755388 /nfs/dbraw/zinc/75/53/88/256755388.db2.gz GDBWDGHGWSNVEY-LLVKDONJSA-N 1 0 209.308 3.503 20 0 BHADRO CC(C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000083687415 388059768 /nfs/dbraw/zinc/05/97/68/388059768.db2.gz NLNVGULRDVYNSM-UHFFFAOYSA-N 1 0 223.335 3.537 20 0 BHADRO Clc1ccc(Cl)c(C[NH2+]CC2CCC2)c1 ZINC000083697320 387421134 /nfs/dbraw/zinc/42/11/34/387421134.db2.gz NAQIYHURDIWXKK-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000083697396 387421408 /nfs/dbraw/zinc/42/14/08/387421408.db2.gz BBEGBGYVAVNYDW-QMMMGPOBSA-N 1 0 244.165 3.882 20 0 BHADRO Clc1ccc(Cl)c(C[NH2+]C2CCC2)c1 ZINC000083698400 388059731 /nfs/dbraw/zinc/05/97/31/388059731.db2.gz ZRVCYONAULWJGP-UHFFFAOYSA-N 1 0 230.138 3.636 20 0 BHADRO c1csc(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000083748733 388060996 /nfs/dbraw/zinc/06/09/96/388060996.db2.gz ILYQBMJMYLMULD-GFCCVEGCSA-N 1 0 247.388 3.685 20 0 BHADRO c1csc(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000083748735 388060060 /nfs/dbraw/zinc/06/00/60/388060060.db2.gz ILYQBMJMYLMULD-LBPRGKRZSA-N 1 0 247.388 3.685 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000083748772 388060207 /nfs/dbraw/zinc/06/02/07/388060207.db2.gz XDXQSFIVIKOURJ-CQSZACIVSA-N 1 0 241.359 3.623 20 0 BHADRO c1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000083748773 388060113 /nfs/dbraw/zinc/06/01/13/388060113.db2.gz XDXQSFIVIKOURJ-AWEZNQCLSA-N 1 0 241.359 3.623 20 0 BHADRO c1cc(C[NH2+][C@@H]2CSc3ccccc32)cs1 ZINC000083748892 388061184 /nfs/dbraw/zinc/06/11/84/388061184.db2.gz RYJYLAFMWYELCP-GFCCVEGCSA-N 1 0 247.388 3.685 20 0 BHADRO c1cc(C[NH2+][C@H]2CSc3ccccc32)cs1 ZINC000083748894 388060414 /nfs/dbraw/zinc/06/04/14/388060414.db2.gz RYJYLAFMWYELCP-LBPRGKRZSA-N 1 0 247.388 3.685 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1CCC(C)(C)CC1 ZINC000083751508 644408945 /nfs/dbraw/zinc/40/89/45/644408945.db2.gz OHWAUVLKTWCQQL-LBPRGKRZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1CCC(C)(C)CC1 ZINC000083751510 644409506 /nfs/dbraw/zinc/40/95/06/644409506.db2.gz OHWAUVLKTWCQQL-GFCCVEGCSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H](COC)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000083755632 256755391 /nfs/dbraw/zinc/75/53/91/256755391.db2.gz SPWQKZUFWVRJPK-MOKVOYLWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000083755633 387420481 /nfs/dbraw/zinc/42/04/81/387420481.db2.gz SPWQKZUFWVRJPK-ROKHWSDSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000083820058 387423766 /nfs/dbraw/zinc/42/37/66/387423766.db2.gz FAIDQKKNRBXCSM-VIFPVBQESA-N 1 0 221.275 3.633 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000083820061 387423425 /nfs/dbraw/zinc/42/34/25/387423425.db2.gz FAIDQKKNRBXCSM-SECBINFHSA-N 1 0 221.275 3.633 20 0 BHADRO CC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000083820095 387423126 /nfs/dbraw/zinc/42/31/26/387423126.db2.gz GWOCRURAJSCWJS-QMMMGPOBSA-N 1 0 223.703 3.757 20 0 BHADRO CC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000083820097 387422586 /nfs/dbraw/zinc/42/25/86/387422586.db2.gz GWOCRURAJSCWJS-MRVPVSSYSA-N 1 0 223.703 3.757 20 0 BHADRO CCC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000083827237 398212389 /nfs/dbraw/zinc/21/23/89/398212389.db2.gz WDXDUBCPEDXIFL-OAHLLOKOSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000083827238 398212480 /nfs/dbraw/zinc/21/24/80/398212480.db2.gz WDXDUBCPEDXIFL-HNNXBMFYSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000083827243 398212542 /nfs/dbraw/zinc/21/25/42/398212542.db2.gz VFFMOABICBWNBZ-AWEZNQCLSA-N 1 0 205.345 3.570 20 0 BHADRO CCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000083827244 398212579 /nfs/dbraw/zinc/21/25/79/398212579.db2.gz VFFMOABICBWNBZ-CQSZACIVSA-N 1 0 205.345 3.570 20 0 BHADRO CC(C)C[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000083827247 398212400 /nfs/dbraw/zinc/21/24/00/398212400.db2.gz AQYPTAQEDPHIPM-HNNXBMFYSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)C[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000083827248 256562428 /nfs/dbraw/zinc/56/24/28/256562428.db2.gz AQYPTAQEDPHIPM-OAHLLOKOSA-N 1 0 219.372 3.814 20 0 BHADRO CCC[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000083827253 711810436 /nfs/dbraw/zinc/81/04/36/711810436.db2.gz CDQPIPIUIZIYGC-AWEZNQCLSA-N 1 0 205.345 3.568 20 0 BHADRO CCC[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000083827254 711810346 /nfs/dbraw/zinc/81/03/46/711810346.db2.gz CDQPIPIUIZIYGC-CQSZACIVSA-N 1 0 205.345 3.568 20 0 BHADRO CC(C)C[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000083827257 256562827 /nfs/dbraw/zinc/56/28/27/256562827.db2.gz BSSWKAUDMOHNMJ-AWEZNQCLSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000083827258 256755545 /nfs/dbraw/zinc/75/55/45/256755545.db2.gz BSSWKAUDMOHNMJ-CQSZACIVSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000083827273 384800967 /nfs/dbraw/zinc/80/09/67/384800967.db2.gz CTYACWKKUOUSJN-HNNXBMFYSA-N 1 0 219.372 3.816 20 0 BHADRO CCC[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000083827274 384801801 /nfs/dbraw/zinc/80/18/01/384801801.db2.gz CTYACWKKUOUSJN-OAHLLOKOSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000083828496 388063782 /nfs/dbraw/zinc/06/37/82/388063782.db2.gz WWZYBCHOTRCYHJ-IVMMDQJWSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000083828498 388063286 /nfs/dbraw/zinc/06/32/86/388063286.db2.gz WWZYBCHOTRCYHJ-XNRPHZJLSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000083828574 256562425 /nfs/dbraw/zinc/56/24/25/256562425.db2.gz TYVPUOUKCKFHPB-SCVCMEIPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000083828576 384802154 /nfs/dbraw/zinc/80/21/54/384802154.db2.gz TYVPUOUKCKFHPB-JFGNBEQYSA-N 1 0 239.309 3.804 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000083828663 384801319 /nfs/dbraw/zinc/80/13/19/384801319.db2.gz NZDNBIVNVKAAOM-FPMFFAJLSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000083828665 384801753 /nfs/dbraw/zinc/80/17/53/384801753.db2.gz NZDNBIVNVKAAOM-UBHSHLNASA-N 1 0 247.382 3.843 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000083829053 538111882 /nfs/dbraw/zinc/11/18/82/538111882.db2.gz UJJMCHSIABBAHW-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000083829055 538111952 /nfs/dbraw/zinc/11/19/52/538111952.db2.gz UJJMCHSIABBAHW-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000083829212 256562604 /nfs/dbraw/zinc/56/26/04/256562604.db2.gz SQRYDPIQVKPKBY-ZYHUDNBSSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000083829213 256562449 /nfs/dbraw/zinc/56/24/49/256562449.db2.gz SQRYDPIQVKPKBY-CMPLNLGQSA-N 1 0 239.309 3.633 20 0 BHADRO CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000083841118 384332521 /nfs/dbraw/zinc/33/25/21/384332521.db2.gz QOCRMAQIQFMDEO-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000083841119 384332798 /nfs/dbraw/zinc/33/27/98/384332798.db2.gz QOCRMAQIQFMDEO-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO CCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000083841120 388063528 /nfs/dbraw/zinc/06/35/28/388063528.db2.gz MFMQINHUBQJDFC-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000083841121 388063496 /nfs/dbraw/zinc/06/34/96/388063496.db2.gz MFMQINHUBQJDFC-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC000083863411 384804173 /nfs/dbraw/zinc/80/41/73/384804173.db2.gz HQOWFCMGCWFTPY-TZMCWYRMSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC000083863412 384805242 /nfs/dbraw/zinc/80/52/42/384805242.db2.gz HQOWFCMGCWFTPY-GXTWGEPZSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC000083863413 384805027 /nfs/dbraw/zinc/80/50/27/384805027.db2.gz HQOWFCMGCWFTPY-OCCSQVGLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC000083863414 256562427 /nfs/dbraw/zinc/56/24/27/256562427.db2.gz HQOWFCMGCWFTPY-JSGCOSHPSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000083863431 387426831 /nfs/dbraw/zinc/42/68/31/387426831.db2.gz QPWPSMLGUPJVAF-NXEZZACHSA-N 1 0 229.751 3.847 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000083863432 387426384 /nfs/dbraw/zinc/42/63/84/387426384.db2.gz QPWPSMLGUPJVAF-VHSXEESVSA-N 1 0 229.751 3.847 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000083863433 387427294 /nfs/dbraw/zinc/42/72/94/387427294.db2.gz QPWPSMLGUPJVAF-ZJUUUORDSA-N 1 0 229.751 3.847 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000083863434 387425800 /nfs/dbraw/zinc/42/58/00/387425800.db2.gz QPWPSMLGUPJVAF-UWVGGRQHSA-N 1 0 229.751 3.847 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000083863444 133561854 /nfs/dbraw/zinc/56/18/54/133561854.db2.gz WUMVDGJMIORDHD-AXFHLTTASA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000083863446 351961199 /nfs/dbraw/zinc/96/11/99/351961199.db2.gz WUMVDGJMIORDHD-DCAQKATOSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1C ZINC000083863579 387426135 /nfs/dbraw/zinc/42/61/35/387426135.db2.gz QLRPFNZFGDMPHQ-ZYHUDNBSSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1C ZINC000083863580 387426061 /nfs/dbraw/zinc/42/60/61/387426061.db2.gz QLRPFNZFGDMPHQ-CMPLNLGQSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1C ZINC000083863581 387426447 /nfs/dbraw/zinc/42/64/47/387426447.db2.gz QLRPFNZFGDMPHQ-PWSUYJOCSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1sccc1C ZINC000083863582 387426659 /nfs/dbraw/zinc/42/66/59/387426659.db2.gz QLRPFNZFGDMPHQ-JQWIXIFHSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000083863671 384805344 /nfs/dbraw/zinc/80/53/44/384805344.db2.gz LUCYQBWABZUDDB-VXGBXAGGSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000083863672 387426581 /nfs/dbraw/zinc/42/65/81/387426581.db2.gz LUCYQBWABZUDDB-NWDGAFQWSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000083863673 387426931 /nfs/dbraw/zinc/42/69/31/387426931.db2.gz LUCYQBWABZUDDB-NEPJUHHUSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000083863674 387426695 /nfs/dbraw/zinc/42/66/95/387426695.db2.gz LUCYQBWABZUDDB-RYUDHWBXSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccs1 ZINC000083863683 387427140 /nfs/dbraw/zinc/42/71/40/387427140.db2.gz DEGJNHFMKCHRPL-GHMZBOCLSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccs1 ZINC000083863684 387426735 /nfs/dbraw/zinc/42/67/35/387426735.db2.gz DEGJNHFMKCHRPL-WDEREUQCSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccs1 ZINC000083863685 387425783 /nfs/dbraw/zinc/42/57/83/387425783.db2.gz DEGJNHFMKCHRPL-MNOVXSKESA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccs1 ZINC000083863686 387427148 /nfs/dbraw/zinc/42/71/48/387427148.db2.gz DEGJNHFMKCHRPL-QWRGUYRKSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000083863688 171295126 /nfs/dbraw/zinc/29/51/26/171295126.db2.gz HZGYINGSSULXPE-XQQFMLRXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000083863690 171298727 /nfs/dbraw/zinc/29/87/27/171298727.db2.gz HZGYINGSSULXPE-AVGNSLFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000083863692 171295348 /nfs/dbraw/zinc/29/53/48/171295348.db2.gz MTQJHIWPLPGXJG-XQQFMLRXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000083863694 171298363 /nfs/dbraw/zinc/29/83/63/171298363.db2.gz MTQJHIWPLPGXJG-AVGNSLFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000083863696 171295641 /nfs/dbraw/zinc/29/56/41/171295641.db2.gz LDIJAIVFDKBTCE-XQQFMLRXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000083863698 171298657 /nfs/dbraw/zinc/29/86/57/171298657.db2.gz LDIJAIVFDKBTCE-AVGNSLFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000083863700 387426608 /nfs/dbraw/zinc/42/66/08/387426608.db2.gz PHKULBZIJSURAI-TUAOUCFPSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000083863702 387426188 /nfs/dbraw/zinc/42/61/88/387426188.db2.gz PHKULBZIJSURAI-SRVKXCTJSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC000083863707 384804680 /nfs/dbraw/zinc/80/46/80/384804680.db2.gz XHSHZXUYZVAKPR-VXGBXAGGSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC000083863708 384804599 /nfs/dbraw/zinc/80/45/99/384804599.db2.gz XHSHZXUYZVAKPR-NWDGAFQWSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC000083863709 384804229 /nfs/dbraw/zinc/80/42/29/384804229.db2.gz XHSHZXUYZVAKPR-NEPJUHHUSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC000083863710 387425727 /nfs/dbraw/zinc/42/57/27/387425727.db2.gz XHSHZXUYZVAKPR-RYUDHWBXSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000083863779 384803238 /nfs/dbraw/zinc/80/32/38/384803238.db2.gz LFUZOWYRSRKFQD-TZMCWYRMSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000083863780 256755535 /nfs/dbraw/zinc/75/55/35/256755535.db2.gz LFUZOWYRSRKFQD-GXTWGEPZSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000083863781 387426535 /nfs/dbraw/zinc/42/65/35/387426535.db2.gz LFUZOWYRSRKFQD-OCCSQVGLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000083863782 387427270 /nfs/dbraw/zinc/42/72/70/387427270.db2.gz LFUZOWYRSRKFQD-JSGCOSHPSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000083863799 351962105 /nfs/dbraw/zinc/96/21/05/351962105.db2.gz AFVJBYPLBYSQKR-GHMZBOCLSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000083863800 343506944 /nfs/dbraw/zinc/50/69/44/343506944.db2.gz AFVJBYPLBYSQKR-WDEREUQCSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000083863801 343507048 /nfs/dbraw/zinc/50/70/48/343507048.db2.gz AFVJBYPLBYSQKR-MNOVXSKESA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000083863802 343506852 /nfs/dbraw/zinc/50/68/52/343506852.db2.gz AFVJBYPLBYSQKR-QWRGUYRKSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC000083863803 343506874 /nfs/dbraw/zinc/50/68/74/343506874.db2.gz XVWMRQJIVZJYNC-GHMZBOCLSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC000083863804 133561790 /nfs/dbraw/zinc/56/17/90/133561790.db2.gz XVWMRQJIVZJYNC-WDEREUQCSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC000083863805 343507458 /nfs/dbraw/zinc/50/74/58/343507458.db2.gz XVWMRQJIVZJYNC-MNOVXSKESA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC000083863806 343507466 /nfs/dbraw/zinc/50/74/66/343507466.db2.gz XVWMRQJIVZJYNC-QWRGUYRKSA-N 1 0 211.374 3.662 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000083863895 387425969 /nfs/dbraw/zinc/42/59/69/387425969.db2.gz CYXOWTMXAKMBNY-TZMCWYRMSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000083863896 387426411 /nfs/dbraw/zinc/42/64/11/387426411.db2.gz CYXOWTMXAKMBNY-GXTWGEPZSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000083863897 387426120 /nfs/dbraw/zinc/42/61/20/387426120.db2.gz CYXOWTMXAKMBNY-OCCSQVGLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000083863898 387426069 /nfs/dbraw/zinc/42/60/69/387426069.db2.gz CYXOWTMXAKMBNY-JSGCOSHPSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000083863956 387426497 /nfs/dbraw/zinc/42/64/97/387426497.db2.gz ZIGAPCZQPRLMFZ-MJBXVCDLSA-N 1 0 209.377 3.757 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000083863958 256756035 /nfs/dbraw/zinc/75/60/35/256756035.db2.gz ZIGAPCZQPRLMFZ-IHRRRGAJSA-N 1 0 209.377 3.757 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000083864077 171295726 /nfs/dbraw/zinc/29/57/26/171295726.db2.gz UJMHMIAXQKZKIF-AXFHLTTASA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000083864080 171298010 /nfs/dbraw/zinc/29/80/10/171298010.db2.gz UJMHMIAXQKZKIF-DCAQKATOSA-N 1 0 226.389 3.618 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)C[C@@H](C)CC)s1 ZINC000083864208 133561789 /nfs/dbraw/zinc/56/17/89/133561789.db2.gz JSOLFKRFSJLUTD-QWRGUYRKSA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)C[C@@H](C)CC)s1 ZINC000083864209 351961794 /nfs/dbraw/zinc/96/17/94/351961794.db2.gz JSOLFKRFSJLUTD-WDEREUQCSA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)C[C@H](C)CC)s1 ZINC000083864212 384803545 /nfs/dbraw/zinc/80/35/45/384803545.db2.gz JSOLFKRFSJLUTD-MNOVXSKESA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)C[C@H](C)CC)s1 ZINC000083864214 351961831 /nfs/dbraw/zinc/96/18/31/351961831.db2.gz JSOLFKRFSJLUTD-GHMZBOCLSA-N 1 0 240.416 3.620 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000083864289 256562211 /nfs/dbraw/zinc/56/22/11/256562211.db2.gz OUROBJRRJYBLTG-VXGBXAGGSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000083864290 256562963 /nfs/dbraw/zinc/56/29/63/256562963.db2.gz OUROBJRRJYBLTG-NWDGAFQWSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000083864291 384802793 /nfs/dbraw/zinc/80/27/93/384802793.db2.gz OUROBJRRJYBLTG-NEPJUHHUSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000083864292 384805336 /nfs/dbraw/zinc/80/53/36/384805336.db2.gz OUROBJRRJYBLTG-RYUDHWBXSA-N 1 0 223.335 3.740 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000083864301 384805063 /nfs/dbraw/zinc/80/50/63/384805063.db2.gz GJQILPZZFAJAOU-CHWSQXEVSA-N 1 0 205.345 3.601 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000083864302 384805469 /nfs/dbraw/zinc/80/54/69/384805469.db2.gz GJQILPZZFAJAOU-QWHCGFSZSA-N 1 0 205.345 3.601 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC000083864303 256755727 /nfs/dbraw/zinc/75/57/27/256755727.db2.gz GJQILPZZFAJAOU-OLZOCXBDSA-N 1 0 205.345 3.601 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC000083864304 387426633 /nfs/dbraw/zinc/42/66/33/387426633.db2.gz GJQILPZZFAJAOU-STQMWFEESA-N 1 0 205.345 3.601 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000083864317 387426820 /nfs/dbraw/zinc/42/68/20/387426820.db2.gz RMVIEEXOLMHSTM-GHMZBOCLSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000083864318 387426263 /nfs/dbraw/zinc/42/62/63/387426263.db2.gz RMVIEEXOLMHSTM-WDEREUQCSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000083864319 256756104 /nfs/dbraw/zinc/75/61/04/256756104.db2.gz RMVIEEXOLMHSTM-MNOVXSKESA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000083864320 256755679 /nfs/dbraw/zinc/75/56/79/256755679.db2.gz RMVIEEXOLMHSTM-QWRGUYRKSA-N 1 0 225.401 3.971 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)C[C@@H](C)CC)cs1 ZINC000083864732 384804878 /nfs/dbraw/zinc/80/48/78/384804878.db2.gz PJEYMQSSZBSMJR-QWRGUYRKSA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)C[C@@H](C)CC)cs1 ZINC000083864733 384804382 /nfs/dbraw/zinc/80/43/82/384804382.db2.gz PJEYMQSSZBSMJR-WDEREUQCSA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)C[C@H](C)CC)cs1 ZINC000083864734 384802894 /nfs/dbraw/zinc/80/28/94/384802894.db2.gz PJEYMQSSZBSMJR-MNOVXSKESA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)C[C@H](C)CC)cs1 ZINC000083864735 351961948 /nfs/dbraw/zinc/96/19/48/351961948.db2.gz PJEYMQSSZBSMJR-GHMZBOCLSA-N 1 0 240.416 3.620 20 0 BHADRO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1C ZINC000083865254 387426455 /nfs/dbraw/zinc/42/64/55/387426455.db2.gz JSMVUWLPDFPXFS-ZYHUDNBSSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1C ZINC000083865255 387426245 /nfs/dbraw/zinc/42/62/45/387426245.db2.gz JSMVUWLPDFPXFS-CMPLNLGQSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1C ZINC000083865256 256756227 /nfs/dbraw/zinc/75/62/27/256756227.db2.gz JSMVUWLPDFPXFS-PWSUYJOCSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@H](C)C[C@H](C)Nc1cc[nH+]cc1C ZINC000083865257 256756260 /nfs/dbraw/zinc/75/62/60/256756260.db2.gz JSMVUWLPDFPXFS-JQWIXIFHSA-N 1 0 206.333 3.627 20 0 BHADRO CC(C)(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000083893261 384921365 /nfs/dbraw/zinc/92/13/65/384921365.db2.gz ZNSXQIQXUILGID-UHFFFAOYSA-N 1 0 223.404 3.981 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC2CC2)c(C)c1 ZINC000083893338 538112117 /nfs/dbraw/zinc/11/21/17/538112117.db2.gz MZXBRBIHBRGQLQ-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CC2)c(Cl)c1 ZINC000083893350 384922067 /nfs/dbraw/zinc/92/20/67/384922067.db2.gz RQUPYIMASVBVGE-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000083893352 256757164 /nfs/dbraw/zinc/75/71/64/256757164.db2.gz DBFNWUCTIAZJBB-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc(Cl)s1 ZINC000083893372 387428504 /nfs/dbraw/zinc/42/85/04/387428504.db2.gz MUQYJWGTXBWLBP-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc(Cl)s1 ZINC000083893373 256756494 /nfs/dbraw/zinc/75/64/94/256756494.db2.gz MUQYJWGTXBWLBP-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO c1csc([C@H]([NH2+]CCC2CC2)C2CC2)c1 ZINC000083893389 518203966 /nfs/dbraw/zinc/20/39/66/518203966.db2.gz DLJKNLAONJWPAC-CYBMUJFWSA-N 1 0 221.369 3.589 20 0 BHADRO c1csc([C@@H]([NH2+]CCC2CC2)C2CC2)c1 ZINC000083893390 384342436 /nfs/dbraw/zinc/34/24/36/384342436.db2.gz DLJKNLAONJWPAC-ZDUSSCGKSA-N 1 0 221.369 3.589 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CCC1CC1 ZINC000083893397 538112090 /nfs/dbraw/zinc/11/20/90/538112090.db2.gz MVCJAZYCPHIKFZ-GFCCVEGCSA-N 1 0 221.369 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CCC1CC1 ZINC000083893398 538112071 /nfs/dbraw/zinc/11/20/71/538112071.db2.gz MVCJAZYCPHIKFZ-LBPRGKRZSA-N 1 0 221.369 3.515 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893421 343506523 /nfs/dbraw/zinc/50/65/23/343506523.db2.gz ZJRJXRPNWAJXBH-AWEZNQCLSA-N 1 0 203.329 3.527 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893422 352055750 /nfs/dbraw/zinc/05/57/50/352055750.db2.gz ZJRJXRPNWAJXBH-CQSZACIVSA-N 1 0 203.329 3.527 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]CCC1CC1 ZINC000083893426 133564772 /nfs/dbraw/zinc/56/47/72/133564772.db2.gz ZITMPFVMPISPTO-CYBMUJFWSA-N 1 0 233.380 3.613 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCC1CC1 ZINC000083893427 133564432 /nfs/dbraw/zinc/56/44/32/133564432.db2.gz ZITMPFVMPISPTO-ZDUSSCGKSA-N 1 0 233.380 3.613 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+]CCC1CC1 ZINC000083893432 384922280 /nfs/dbraw/zinc/92/22/80/384922280.db2.gz SXXIRZDAYQQLKV-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1C ZINC000083893433 384811481 /nfs/dbraw/zinc/81/14/81/384811481.db2.gz JGQBDTHNTFIGIF-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)cc1C ZINC000083893434 384810378 /nfs/dbraw/zinc/81/03/78/384810378.db2.gz JGQBDTHNTFIGIF-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000083893435 387428153 /nfs/dbraw/zinc/42/81/53/387428153.db2.gz FWYFJCMNHXLMKT-GFCCVEGCSA-N 1 0 217.356 3.700 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000083893436 387429132 /nfs/dbraw/zinc/42/91/32/387429132.db2.gz FWYFJCMNHXLMKT-LBPRGKRZSA-N 1 0 217.356 3.700 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CC2)c(C)s1 ZINC000083893438 343506398 /nfs/dbraw/zinc/50/63/98/343506398.db2.gz FDHMACZKOUCFMQ-SNVBAGLBSA-N 1 0 223.385 3.816 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CC2)c(C)s1 ZINC000083893439 343506496 /nfs/dbraw/zinc/50/64/96/343506496.db2.gz FDHMACZKOUCFMQ-JTQLQIEISA-N 1 0 223.385 3.816 20 0 BHADRO C[C@@H](CC[NH2+]CCC1CC1)c1ccccc1 ZINC000083893467 538112154 /nfs/dbraw/zinc/11/21/54/538112154.db2.gz ZYGFTDYSGXHQCK-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H](CC[NH2+]CCC1CC1)c1ccccc1 ZINC000083893468 133564681 /nfs/dbraw/zinc/56/46/81/133564681.db2.gz ZYGFTDYSGXHQCK-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1 ZINC000083893537 343683008 /nfs/dbraw/zinc/68/30/08/343683008.db2.gz UZSAUMBDYBUNLC-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1 ZINC000083893538 343682894 /nfs/dbraw/zinc/68/28/94/343682894.db2.gz UZSAUMBDYBUNLC-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)c(C)c1 ZINC000083893541 384810856 /nfs/dbraw/zinc/81/08/56/384810856.db2.gz OIAFDJFFEADYNO-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)c(C)c1 ZINC000083893542 384811939 /nfs/dbraw/zinc/81/19/39/384811939.db2.gz OIAFDJFFEADYNO-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccc(C)cc1 ZINC000083893543 352055722 /nfs/dbraw/zinc/05/57/22/352055722.db2.gz AGJBRXPYJDCGJH-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccc(C)cc1 ZINC000083893544 352055535 /nfs/dbraw/zinc/05/55/35/352055535.db2.gz AGJBRXPYJDCGJH-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+]CCC2CC2)c1 ZINC000083893593 384921142 /nfs/dbraw/zinc/92/11/42/384921142.db2.gz FLAUXYIRFWUDBW-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC1CC1 ZINC000083893607 538112198 /nfs/dbraw/zinc/11/21/98/538112198.db2.gz ZUZRQQAZOOEYPT-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC1CC1 ZINC000083893608 538112351 /nfs/dbraw/zinc/11/23/51/538112351.db2.gz ZUZRQQAZOOEYPT-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CC2)cc1Cl ZINC000083893637 256757249 /nfs/dbraw/zinc/75/72/49/256757249.db2.gz TZFGYYCEEYOMNR-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc(Cl)cc1 ZINC000083893653 387428899 /nfs/dbraw/zinc/42/88/99/387428899.db2.gz SKFBPQFZOBZEJM-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc(Cl)cc1 ZINC000083893654 387427968 /nfs/dbraw/zinc/42/79/68/387427968.db2.gz SKFBPQFZOBZEJM-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO Clc1cccc(C[NH2+]CCC2CC2)c1Cl ZINC000083893675 256757054 /nfs/dbraw/zinc/75/70/54/256757054.db2.gz NABXWHZVSXPQEV-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C(CC1CC1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000083893704 643629926 /nfs/dbraw/zinc/62/99/26/643629926.db2.gz DBSBPCQLJQQWOD-RRFJBIMHSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CC1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000083893706 643630524 /nfs/dbraw/zinc/63/05/24/643630524.db2.gz DBSBPCQLJQQWOD-ZNMIVQPWSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1Cl ZINC000083893708 384811720 /nfs/dbraw/zinc/81/17/20/384811720.db2.gz TVFFRNZPYWDOSA-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1Cl ZINC000083893709 384812468 /nfs/dbraw/zinc/81/24/68/384812468.db2.gz TVFFRNZPYWDOSA-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC2CC2)s1 ZINC000083893717 538112281 /nfs/dbraw/zinc/11/22/81/538112281.db2.gz IGGZATRDGABVPP-SNVBAGLBSA-N 1 0 223.385 3.761 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC2CC2)s1 ZINC000083893718 256757246 /nfs/dbraw/zinc/75/72/46/256757246.db2.gz IGGZATRDGABVPP-JTQLQIEISA-N 1 0 223.385 3.761 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccccc1Cl ZINC000083893764 387428548 /nfs/dbraw/zinc/42/85/48/387428548.db2.gz GNNDHGLBCADLSN-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccccc1Cl ZINC000083893765 387428601 /nfs/dbraw/zinc/42/86/01/387428601.db2.gz GNNDHGLBCADLSN-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO CCC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893784 352056601 /nfs/dbraw/zinc/05/66/01/352056601.db2.gz GWRQDNGLWQUTHO-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893785 352056344 /nfs/dbraw/zinc/05/63/44/352056344.db2.gz GWRQDNGLWQUTHO-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc(F)c(Cl)c1 ZINC000083893786 384810577 /nfs/dbraw/zinc/81/05/77/384810577.db2.gz QSEORLDEIHCAIV-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc(F)c(Cl)c1 ZINC000083893787 384812068 /nfs/dbraw/zinc/81/20/68/384812068.db2.gz QSEORLDEIHCAIV-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cccs1 ZINC000083893800 384342254 /nfs/dbraw/zinc/34/22/54/384342254.db2.gz OQDJAXSPFSEALJ-NSHDSACASA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cccs1 ZINC000083893801 387429353 /nfs/dbraw/zinc/42/93/53/387429353.db2.gz OQDJAXSPFSEALJ-LLVKDONJSA-N 1 0 209.358 3.589 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000083893883 384921256 /nfs/dbraw/zinc/92/12/56/384921256.db2.gz FRQBJIWDZMABKF-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCC2CC2)c1 ZINC000083893884 384920227 /nfs/dbraw/zinc/92/02/27/384920227.db2.gz FRQBJIWDZMABKF-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000083893904 384810830 /nfs/dbraw/zinc/81/08/30/384810830.db2.gz YLTSEKJCKVUXFR-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000083893905 384812667 /nfs/dbraw/zinc/81/26/67/384812667.db2.gz YLTSEKJCKVUXFR-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC2CC2)cc1C ZINC000083893918 384922323 /nfs/dbraw/zinc/92/23/23/384922323.db2.gz VSVMFUZOBGAXHN-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893919 384811694 /nfs/dbraw/zinc/81/16/94/384811694.db2.gz PDGSYFNBXDJCTG-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000083893920 387428540 /nfs/dbraw/zinc/42/85/40/387428540.db2.gz PDGSYFNBXDJCTG-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO c1ccc([C@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000083893924 387428190 /nfs/dbraw/zinc/42/81/90/387428190.db2.gz VCYHUPFZTRXQLZ-HNNXBMFYSA-N 1 0 215.340 3.527 20 0 BHADRO c1ccc([C@@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000083893925 387429220 /nfs/dbraw/zinc/42/92/20/387429220.db2.gz VCYHUPFZTRXQLZ-OAHLLOKOSA-N 1 0 215.340 3.527 20 0 BHADRO c1sc2ccccc2c1C[NH2+]CCC1CC1 ZINC000083893929 384921439 /nfs/dbraw/zinc/92/14/39/384921439.db2.gz SGKXWSNELQFWQS-UHFFFAOYSA-N 1 0 231.364 3.791 20 0 BHADRO CC(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000083893931 256757189 /nfs/dbraw/zinc/75/71/89/256757189.db2.gz QTBYADANXRMDEL-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cccc(Cl)c1 ZINC000083893988 387429471 /nfs/dbraw/zinc/42/94/71/387429471.db2.gz OHQUMURIKXLWOC-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cccc(Cl)c1 ZINC000083893989 387428718 /nfs/dbraw/zinc/42/87/18/387428718.db2.gz OHQUMURIKXLWOC-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)s1 ZINC000083893991 538112288 /nfs/dbraw/zinc/11/22/88/538112288.db2.gz ZSSWOMYUHMYDSE-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)s1 ZINC000083893992 538112373 /nfs/dbraw/zinc/11/23/73/538112373.db2.gz ZSSWOMYUHMYDSE-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO CCCC1CCC([NH2+]CCC2CC2)CC1 ZINC000083893996 256756311 /nfs/dbraw/zinc/75/63/11/256756311.db2.gz UJLUYACJELAGOU-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccsc1 ZINC000083894100 322960199 /nfs/dbraw/zinc/96/01/99/322960199.db2.gz VINQUSFPUCMBJV-JTQLQIEISA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccsc1 ZINC000083894101 322960214 /nfs/dbraw/zinc/96/02/14/322960214.db2.gz VINQUSFPUCMBJV-SNVBAGLBSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000083894122 322960226 /nfs/dbraw/zinc/96/02/26/322960226.db2.gz YDNTUUKAYNFAEP-ABAIWWIYSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000083894123 384812156 /nfs/dbraw/zinc/81/21/56/384812156.db2.gz YDNTUUKAYNFAEP-NHYWBVRUSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000083894124 384812222 /nfs/dbraw/zinc/81/22/22/384812222.db2.gz YDNTUUKAYNFAEP-IAQYHMDHSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000083894125 322830249 /nfs/dbraw/zinc/83/02/49/322830249.db2.gz YDNTUUKAYNFAEP-XHDPSFHLSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1ccsc1C[NH2+]CC(C1CC1)C1CC1 ZINC000083894128 322830091 /nfs/dbraw/zinc/83/00/91/322830091.db2.gz GHUJTYKBINAAMT-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO C([NH2+]CC1CCCCC1)C(C1CC1)C1CC1 ZINC000083894129 384541645 /nfs/dbraw/zinc/54/16/45/384541645.db2.gz XGYSCTIYAZOISZ-UHFFFAOYSA-N 1 0 221.388 3.593 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)C1CCCC1 ZINC000083894149 384540345 /nfs/dbraw/zinc/54/03/45/384540345.db2.gz NUHPGEBYPDGVOC-NSHDSACASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)C1CCCC1 ZINC000083894150 384540542 /nfs/dbraw/zinc/54/05/42/384540542.db2.gz NUHPGEBYPDGVOC-LLVKDONJSA-N 1 0 221.388 3.591 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000083894173 384541546 /nfs/dbraw/zinc/54/15/46/384541546.db2.gz PTCPUBNICISEGP-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000083894174 322830204 /nfs/dbraw/zinc/83/02/04/322830204.db2.gz PTCPUBNICISEGP-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C([NH2+]C1CCCCCC1)C(C1CC1)C1CC1 ZINC000083894180 322830191 /nfs/dbraw/zinc/83/01/91/322830191.db2.gz LRLIGKJWDXJWST-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000083894182 518179332 /nfs/dbraw/zinc/17/93/32/518179332.db2.gz VXIAOZMCVNQAAI-RISCZKNCSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000083894183 322830451 /nfs/dbraw/zinc/83/04/51/322830451.db2.gz VXIAOZMCVNQAAI-FZMZJTMJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000083894184 322960218 /nfs/dbraw/zinc/96/02/18/322960218.db2.gz VXIAOZMCVNQAAI-BXUZGUMPSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000083894185 384541861 /nfs/dbraw/zinc/54/18/61/384541861.db2.gz VXIAOZMCVNQAAI-SMDDNHRTSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cccs1 ZINC000083894186 384541216 /nfs/dbraw/zinc/54/12/16/384541216.db2.gz DGDQNYPRBZQZJR-JTQLQIEISA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cccs1 ZINC000083894187 322830513 /nfs/dbraw/zinc/83/05/13/322830513.db2.gz DGDQNYPRBZQZJR-SNVBAGLBSA-N 1 0 235.396 3.835 20 0 BHADRO CC1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000083894277 322830416 /nfs/dbraw/zinc/83/04/16/322830416.db2.gz ULEFMYZZOKBGIB-UHFFFAOYSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)s1 ZINC000083894281 384541250 /nfs/dbraw/zinc/54/12/50/384541250.db2.gz OVZDXRXZEMCDSS-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO Clc1ccc(Cl)c(C[NH2+]CCC2CC2)c1 ZINC000083894703 538112282 /nfs/dbraw/zinc/11/22/82/538112282.db2.gz KKCXTEXSAMRDAL-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000083898222 384810967 /nfs/dbraw/zinc/81/09/67/384810967.db2.gz UAZPMCOYSYFXET-QWRGUYRKSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000083898226 256757276 /nfs/dbraw/zinc/75/72/76/256757276.db2.gz UAZPMCOYSYFXET-MNOVXSKESA-N 1 0 241.325 3.908 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000083898359 384813063 /nfs/dbraw/zinc/81/30/63/384813063.db2.gz SQSVZWZVTWBDML-CQSZACIVSA-N 1 0 249.398 3.857 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000083898360 384811777 /nfs/dbraw/zinc/81/17/77/384811777.db2.gz SQSVZWZVTWBDML-AWEZNQCLSA-N 1 0 249.398 3.857 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)C1CCCCC1 ZINC000083926517 387423619 /nfs/dbraw/zinc/42/36/19/387423619.db2.gz MRYILZYKJUVRFP-AWEZNQCLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)C1CCCCC1 ZINC000083926518 387423874 /nfs/dbraw/zinc/42/38/74/387423874.db2.gz MRYILZYKJUVRFP-CQSZACIVSA-N 1 0 209.377 3.735 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000083941623 256564675 /nfs/dbraw/zinc/56/46/75/256564675.db2.gz LFBMKGDPXCUJBU-LSDHHAIUSA-N 1 0 249.398 3.687 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000083941627 256564049 /nfs/dbraw/zinc/56/40/49/256564049.db2.gz LFBMKGDPXCUJBU-GJZGRUSLSA-N 1 0 249.398 3.687 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000083941630 384823094 /nfs/dbraw/zinc/82/30/94/384823094.db2.gz LFBMKGDPXCUJBU-HUUCEWRRSA-N 1 0 249.398 3.687 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000083941631 384821137 /nfs/dbraw/zinc/82/11/37/384821137.db2.gz LFBMKGDPXCUJBU-CABCVRRESA-N 1 0 249.398 3.687 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000083948242 343687354 /nfs/dbraw/zinc/68/73/54/343687354.db2.gz WAECSACRKAGXST-YPMHNXCESA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000083948243 343687339 /nfs/dbraw/zinc/68/73/39/343687339.db2.gz WAECSACRKAGXST-AAEUAGOBSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000083948244 343687402 /nfs/dbraw/zinc/68/74/02/343687402.db2.gz WAECSACRKAGXST-DGCLKSJQSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000083948245 343687302 /nfs/dbraw/zinc/68/73/02/343687302.db2.gz WAECSACRKAGXST-WCQYABFASA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000083948250 343687444 /nfs/dbraw/zinc/68/74/44/343687444.db2.gz VDOBMAQBOLJKOK-YPMHNXCESA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000083948251 343687357 /nfs/dbraw/zinc/68/73/57/343687357.db2.gz VDOBMAQBOLJKOK-AAEUAGOBSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000083948252 343687331 /nfs/dbraw/zinc/68/73/31/343687331.db2.gz VDOBMAQBOLJKOK-DGCLKSJQSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000083948253 343510744 /nfs/dbraw/zinc/51/07/44/343510744.db2.gz VDOBMAQBOLJKOK-WCQYABFASA-N 1 0 223.385 3.807 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948258 343687390 /nfs/dbraw/zinc/68/73/90/343687390.db2.gz OCCULRXQGKZWOV-RDBSUJKOSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948259 343687279 /nfs/dbraw/zinc/68/72/79/343687279.db2.gz OCCULRXQGKZWOV-IHRRRGAJSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948260 343687375 /nfs/dbraw/zinc/68/73/75/343687375.db2.gz OCCULRXQGKZWOV-HZSPNIEDSA-N 1 0 211.393 3.979 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948261 343687346 /nfs/dbraw/zinc/68/73/46/343687346.db2.gz OCCULRXQGKZWOV-MELADBBJSA-N 1 0 211.393 3.979 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000083948400 343688406 /nfs/dbraw/zinc/68/84/06/343688406.db2.gz NOHMEBGTFPJHHZ-PWSUYJOCSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000083948403 343688372 /nfs/dbraw/zinc/68/83/72/343688372.db2.gz NOHMEBGTFPJHHZ-JQWIXIFHSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000083948404 343688437 /nfs/dbraw/zinc/68/84/37/343688437.db2.gz NOHMEBGTFPJHHZ-ZYHUDNBSSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000083948407 343688337 /nfs/dbraw/zinc/68/83/37/343688337.db2.gz NOHMEBGTFPJHHZ-CMPLNLGQSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)C1CC1 ZINC000083948468 538112471 /nfs/dbraw/zinc/11/24/71/538112471.db2.gz DCBXLPDLUCTZEC-FPMFFAJLSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)C1CC1 ZINC000083948470 538112513 /nfs/dbraw/zinc/11/25/13/538112513.db2.gz DCBXLPDLUCTZEC-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000083948506 343688333 /nfs/dbraw/zinc/68/83/33/343688333.db2.gz XVQZANQNTQARHD-HIFRSBDPSA-N 1 0 217.356 3.745 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000083948510 343688432 /nfs/dbraw/zinc/68/84/32/343688432.db2.gz XVQZANQNTQARHD-ZFWWWQNUSA-N 1 0 217.356 3.745 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000083948512 343688290 /nfs/dbraw/zinc/68/82/90/343688290.db2.gz XVQZANQNTQARHD-UKRRQHHQSA-N 1 0 217.356 3.745 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000083948514 343688331 /nfs/dbraw/zinc/68/83/31/343688331.db2.gz XVQZANQNTQARHD-DZGCQCFKSA-N 1 0 217.356 3.745 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)o1 ZINC000083948737 343688440 /nfs/dbraw/zinc/68/84/40/343688440.db2.gz UINXIASOUKRRQL-SMDDNHRTSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)o1 ZINC000083948738 343688318 /nfs/dbraw/zinc/68/83/18/343688318.db2.gz UINXIASOUKRRQL-FZMZJTMJSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)o1 ZINC000083948739 343688460 /nfs/dbraw/zinc/68/84/60/343688460.db2.gz UINXIASOUKRRQL-BXUZGUMPSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)o1 ZINC000083948740 343688301 /nfs/dbraw/zinc/68/83/01/343688301.db2.gz UINXIASOUKRRQL-RISCZKNCSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCCC[C@@H]2C)s1 ZINC000083948753 343688322 /nfs/dbraw/zinc/68/83/22/343688322.db2.gz RVZJXRFLAHHLCZ-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCCC[C@@H]2C)s1 ZINC000083948754 343688332 /nfs/dbraw/zinc/68/83/32/343688332.db2.gz RVZJXRFLAHHLCZ-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCCC[C@H]2C)s1 ZINC000083948755 343688386 /nfs/dbraw/zinc/68/83/86/343688386.db2.gz RVZJXRFLAHHLCZ-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCCC[C@H]2C)s1 ZINC000083948756 343688350 /nfs/dbraw/zinc/68/83/50/343688350.db2.gz RVZJXRFLAHHLCZ-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCCC[C@@H]2C)cs1 ZINC000083948861 343688910 /nfs/dbraw/zinc/68/89/10/343688910.db2.gz DQTZYDACAPJJIN-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCCC[C@@H]2C)cs1 ZINC000083948862 343688929 /nfs/dbraw/zinc/68/89/29/343688929.db2.gz DQTZYDACAPJJIN-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCCC[C@H]2C)cs1 ZINC000083948863 343689030 /nfs/dbraw/zinc/68/90/30/343689030.db2.gz DQTZYDACAPJJIN-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCCC[C@H]2C)cs1 ZINC000083948864 343688976 /nfs/dbraw/zinc/68/89/76/343688976.db2.gz DQTZYDACAPJJIN-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000083949229 538112442 /nfs/dbraw/zinc/11/24/42/538112442.db2.gz BVNKAVDYMSSPEY-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000083949230 538112496 /nfs/dbraw/zinc/11/24/96/538112496.db2.gz BVNKAVDYMSSPEY-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000083949231 538112478 /nfs/dbraw/zinc/11/24/78/538112478.db2.gz BVNKAVDYMSSPEY-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000083949232 538112443 /nfs/dbraw/zinc/11/24/43/538112443.db2.gz BVNKAVDYMSSPEY-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000083949265 538112485 /nfs/dbraw/zinc/11/24/85/538112485.db2.gz UTSQIQGRRKGFOK-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000083949266 538112430 /nfs/dbraw/zinc/11/24/30/538112430.db2.gz UTSQIQGRRKGFOK-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cccs1 ZINC000083949267 538112425 /nfs/dbraw/zinc/11/24/25/538112425.db2.gz UTSQIQGRRKGFOK-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCc1cccs1 ZINC000083949268 538112415 /nfs/dbraw/zinc/11/24/15/538112415.db2.gz UTSQIQGRRKGFOK-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO CCc1ccc(C(C)(C)C[NH2+]C(C)C)cc1 ZINC000084012080 387432953 /nfs/dbraw/zinc/43/29/53/387432953.db2.gz BAUXCHHYEGTACT-UHFFFAOYSA-N 1 0 219.372 3.525 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C(C)C)c(C)c1 ZINC000084012083 259499122 /nfs/dbraw/zinc/49/91/22/259499122.db2.gz BCNMYWZMNKNORJ-UHFFFAOYSA-N 1 0 219.372 3.579 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3ccccc3)cc2)CC1 ZINC000084050577 488217158 /nfs/dbraw/zinc/21/71/58/488217158.db2.gz WQTCVIFFRBKULB-UHFFFAOYSA-N 1 0 237.346 3.605 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccsc1 ZINC000084066120 176919022 /nfs/dbraw/zinc/91/90/22/176919022.db2.gz XAVDSYJONAWKFQ-JQWIXIFHSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccsc1 ZINC000084066121 384834338 /nfs/dbraw/zinc/83/43/38/384834338.db2.gz XAVDSYJONAWKFQ-PWSUYJOCSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccsc1 ZINC000084066122 176893268 /nfs/dbraw/zinc/89/32/68/176893268.db2.gz XAVDSYJONAWKFQ-CMPLNLGQSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccsc1 ZINC000084066123 384837244 /nfs/dbraw/zinc/83/72/44/384837244.db2.gz XAVDSYJONAWKFQ-ZYHUDNBSSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@H](C)C1 ZINC000084066134 387438699 /nfs/dbraw/zinc/43/86/99/387438699.db2.gz OVYIRDKYJWHDPW-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO C1=CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000084066146 384837264 /nfs/dbraw/zinc/83/72/64/384837264.db2.gz PNVOGSSJAUDKKZ-SOUVJXGZSA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000084066147 256564510 /nfs/dbraw/zinc/56/45/10/256564510.db2.gz PNVOGSSJAUDKKZ-QLFBSQMISA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000084066148 384836032 /nfs/dbraw/zinc/83/60/32/384836032.db2.gz PNVOGSSJAUDKKZ-KKUMJFAQSA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000084066149 256759442 /nfs/dbraw/zinc/75/94/42/256759442.db2.gz PNVOGSSJAUDKKZ-ILXRZTDVSA-N 1 0 219.372 3.654 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC=CCC1 ZINC000084066151 387438756 /nfs/dbraw/zinc/43/87/56/387438756.db2.gz JIMVQFMQRFPCFO-MJBXVCDLSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC=CCC1 ZINC000084066153 387438834 /nfs/dbraw/zinc/43/88/34/387438834.db2.gz JIMVQFMQRFPCFO-IHRRRGAJSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000084066220 256759716 /nfs/dbraw/zinc/75/97/16/256759716.db2.gz LMZUOBOJUJWRDJ-RYUDHWBXSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000084066221 256759850 /nfs/dbraw/zinc/75/98/50/256759850.db2.gz LMZUOBOJUJWRDJ-NWDGAFQWSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000084066222 256759388 /nfs/dbraw/zinc/75/93/88/256759388.db2.gz LMZUOBOJUJWRDJ-NEPJUHHUSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000084066223 256759899 /nfs/dbraw/zinc/75/98/99/256759899.db2.gz LMZUOBOJUJWRDJ-VXGBXAGGSA-N 1 0 221.369 3.898 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CC=CCC2)C[C@H](C)C1 ZINC000084066226 387439119 /nfs/dbraw/zinc/43/91/19/387439119.db2.gz AQNXLWQDDFFHIK-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC=CCC1 ZINC000084066233 387439973 /nfs/dbraw/zinc/43/99/73/387439973.db2.gz ZUCIUFRSFBVNKG-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC=CCC2)[C@@H]1C ZINC000084066330 387438731 /nfs/dbraw/zinc/43/87/31/387438731.db2.gz OFUXQHGPDLJFES-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000084066394 387439615 /nfs/dbraw/zinc/43/96/15/387439615.db2.gz ACYXFWSACZHPFH-HIFRSBDPSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000084066395 387439987 /nfs/dbraw/zinc/43/99/87/387439987.db2.gz ACYXFWSACZHPFH-ZFWWWQNUSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000084066396 387438892 /nfs/dbraw/zinc/43/88/92/387438892.db2.gz ACYXFWSACZHPFH-UKRRQHHQSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000084066397 387439186 /nfs/dbraw/zinc/43/91/86/387439186.db2.gz ACYXFWSACZHPFH-DZGCQCFKSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066426 387439030 /nfs/dbraw/zinc/43/90/30/387439030.db2.gz NFOZEESFTDAEGG-KGLIPLIRSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066427 256759914 /nfs/dbraw/zinc/75/99/14/256759914.db2.gz NFOZEESFTDAEGG-KBPBESRZSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066428 256759309 /nfs/dbraw/zinc/75/93/09/256759309.db2.gz NFOZEESFTDAEGG-ZIAGYGMSSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066429 387438952 /nfs/dbraw/zinc/43/89/52/387438952.db2.gz NFOZEESFTDAEGG-UONOGXRCSA-N 1 0 215.340 3.754 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)C1CCCCC1 ZINC000084066430 256759935 /nfs/dbraw/zinc/75/99/35/256759935.db2.gz ZELPBARPUXZARK-JSGCOSHPSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)C1CCCCC1 ZINC000084066431 387439680 /nfs/dbraw/zinc/43/96/80/387439680.db2.gz ZELPBARPUXZARK-OCCSQVGLSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)C1CCCCC1 ZINC000084066432 387438824 /nfs/dbraw/zinc/43/88/24/387438824.db2.gz ZELPBARPUXZARK-GXTWGEPZSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)C1CCCCC1 ZINC000084066433 256759835 /nfs/dbraw/zinc/75/98/35/256759835.db2.gz ZELPBARPUXZARK-TZMCWYRMSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000084066436 387440013 /nfs/dbraw/zinc/44/00/13/387440013.db2.gz LKZVQTWIJPUHMK-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000084066437 387439034 /nfs/dbraw/zinc/43/90/34/387439034.db2.gz LKZVQTWIJPUHMK-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000084066438 256759205 /nfs/dbraw/zinc/75/92/05/256759205.db2.gz LKZVQTWIJPUHMK-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000084066439 387438887 /nfs/dbraw/zinc/43/88/87/387438887.db2.gz LKZVQTWIJPUHMK-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000084066445 384834281 /nfs/dbraw/zinc/83/42/81/384834281.db2.gz TXNQFDYLMNKBHT-SLTAFYQDSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000084066446 387440044 /nfs/dbraw/zinc/44/00/44/387440044.db2.gz TXNQFDYLMNKBHT-SHARSMKWSA-N 1 0 221.388 3.900 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066447 384361888 /nfs/dbraw/zinc/36/18/88/384361888.db2.gz FHWAOVYBEQHXMR-NEPJUHHUSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066448 179554506 /nfs/dbraw/zinc/55/45/06/179554506.db2.gz FHWAOVYBEQHXMR-RYUDHWBXSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066449 179552057 /nfs/dbraw/zinc/55/20/57/179552057.db2.gz FHWAOVYBEQHXMR-VXGBXAGGSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066450 384361648 /nfs/dbraw/zinc/36/16/48/384361648.db2.gz FHWAOVYBEQHXMR-NWDGAFQWSA-N 1 0 221.369 3.816 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000084066493 384834462 /nfs/dbraw/zinc/83/44/62/384834462.db2.gz IGZWLSGZNCMLPG-FZMZJTMJSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000084066494 256564308 /nfs/dbraw/zinc/56/43/08/256564308.db2.gz IGZWLSGZNCMLPG-RISCZKNCSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000084066495 384834698 /nfs/dbraw/zinc/83/46/98/384834698.db2.gz IGZWLSGZNCMLPG-SMDDNHRTSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000084066496 256564313 /nfs/dbraw/zinc/56/43/13/256564313.db2.gz IGZWLSGZNCMLPG-BXUZGUMPSA-N 1 0 219.303 3.585 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC=CCC2)s1 ZINC000084066508 384835874 /nfs/dbraw/zinc/83/58/74/384835874.db2.gz PXQCIJVFZPYULK-PWSUYJOCSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC=CCC2)s1 ZINC000084066510 384836460 /nfs/dbraw/zinc/83/64/60/384836460.db2.gz PXQCIJVFZPYULK-JQWIXIFHSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC=CCC2)s1 ZINC000084066513 384835367 /nfs/dbraw/zinc/83/53/67/384835367.db2.gz PXQCIJVFZPYULK-ZYHUDNBSSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC=CCC2)s1 ZINC000084066516 384837106 /nfs/dbraw/zinc/83/71/06/384837106.db2.gz PXQCIJVFZPYULK-CMPLNLGQSA-N 1 0 236.384 3.519 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@@H]1C ZINC000084066525 256759826 /nfs/dbraw/zinc/75/98/26/256759826.db2.gz HDKQIJSRUGYDRW-RFGFWPKPSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1F ZINC000084066541 387438696 /nfs/dbraw/zinc/43/86/96/387438696.db2.gz GDXAODYKDVGNCJ-RYUDHWBXSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1F ZINC000084066543 387440060 /nfs/dbraw/zinc/44/00/60/387440060.db2.gz GDXAODYKDVGNCJ-NEPJUHHUSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1F ZINC000084066545 387438681 /nfs/dbraw/zinc/43/86/81/387438681.db2.gz GDXAODYKDVGNCJ-NWDGAFQWSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1F ZINC000084066547 387439604 /nfs/dbraw/zinc/43/96/04/387439604.db2.gz GDXAODYKDVGNCJ-VXGBXAGGSA-N 1 0 219.303 3.585 20 0 BHADRO C1=CC[C@H]([NH2+]C2CCCCCCC2)CC1 ZINC000084066613 643642461 /nfs/dbraw/zinc/64/24/61/643642461.db2.gz XHRFNWWFUMLTSU-AWEZNQCLSA-N 1 0 207.361 3.798 20 0 BHADRO C1=CC[C@@H]([NH2+]C2CCCCCCC2)CC1 ZINC000084066614 643641689 /nfs/dbraw/zinc/64/16/89/643641689.db2.gz XHRFNWWFUMLTSU-CQSZACIVSA-N 1 0 207.361 3.798 20 0 BHADRO CCC1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000084066625 256759312 /nfs/dbraw/zinc/75/93/12/256759312.db2.gz CUEGTRZJSUOBQE-MOKVOYLWSA-N 1 0 207.361 3.654 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000084066628 387438898 /nfs/dbraw/zinc/43/88/98/387438898.db2.gz CUEGTRZJSUOBQE-ROKHWSDSSA-N 1 0 207.361 3.654 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000084066674 388071072 /nfs/dbraw/zinc/07/10/72/388071072.db2.gz RAXLUXVNTXOAAA-WCQYABFASA-N 1 0 233.380 3.824 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000084066675 135463751 /nfs/dbraw/zinc/46/37/51/135463751.db2.gz RAXLUXVNTXOAAA-AAEUAGOBSA-N 1 0 233.380 3.824 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000084066679 388070334 /nfs/dbraw/zinc/07/03/34/388070334.db2.gz RAXLUXVNTXOAAA-DGCLKSJQSA-N 1 0 233.380 3.824 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000084066680 388070360 /nfs/dbraw/zinc/07/03/60/388070360.db2.gz RAXLUXVNTXOAAA-YPMHNXCESA-N 1 0 233.380 3.824 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1 ZINC000084066695 387438911 /nfs/dbraw/zinc/43/89/11/387438911.db2.gz DKDAJISQIJLLCU-FZMZJTMJSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1 ZINC000084066696 387438906 /nfs/dbraw/zinc/43/89/06/387438906.db2.gz DKDAJISQIJLLCU-RISCZKNCSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000084066698 256759396 /nfs/dbraw/zinc/75/93/96/256759396.db2.gz DKDAJISQIJLLCU-SMDDNHRTSA-N 1 0 219.303 3.585 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000084066700 387440031 /nfs/dbraw/zinc/44/00/31/387440031.db2.gz DKDAJISQIJLLCU-BXUZGUMPSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1 ZINC000084066730 388069898 /nfs/dbraw/zinc/06/98/98/388069898.db2.gz BRYAKSQATJXBPJ-GJZGRUSLSA-N 1 0 215.340 3.836 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1 ZINC000084066731 388069400 /nfs/dbraw/zinc/06/94/00/388069400.db2.gz BRYAKSQATJXBPJ-LSDHHAIUSA-N 1 0 215.340 3.836 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1 ZINC000084066732 535933048 /nfs/dbraw/zinc/93/30/48/535933048.db2.gz BRYAKSQATJXBPJ-CABCVRRESA-N 1 0 215.340 3.836 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1 ZINC000084066734 388070635 /nfs/dbraw/zinc/07/06/35/388070635.db2.gz BRYAKSQATJXBPJ-HUUCEWRRSA-N 1 0 215.340 3.836 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC=CCC2)c(C)s1 ZINC000084066874 325579125 /nfs/dbraw/zinc/57/91/25/325579125.db2.gz LGHPJIKZQYHSTJ-ZDUSSCGKSA-N 1 0 221.369 3.563 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC=CCC2)c(C)s1 ZINC000084066875 325579263 /nfs/dbraw/zinc/57/92/63/325579263.db2.gz LGHPJIKZQYHSTJ-CYBMUJFWSA-N 1 0 221.369 3.563 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H]2CC=CCC2)c(C)s1 ZINC000084066905 538113050 /nfs/dbraw/zinc/11/30/50/538113050.db2.gz XRNWJHVVEYNLNG-SKDRFNHKSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CC=CCC2)c(C)s1 ZINC000084066906 538113036 /nfs/dbraw/zinc/11/30/36/538113036.db2.gz XRNWJHVVEYNLNG-CABZTGNLSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c(C)s1 ZINC000084066907 538113029 /nfs/dbraw/zinc/11/30/29/538113029.db2.gz XRNWJHVVEYNLNG-BXKDBHETSA-N 1 0 236.384 3.519 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CC=CCC2)c(C)s1 ZINC000084066908 538113040 /nfs/dbraw/zinc/11/30/40/538113040.db2.gz XRNWJHVVEYNLNG-JOYOIKCWSA-N 1 0 236.384 3.519 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000084066931 387439326 /nfs/dbraw/zinc/43/93/26/387439326.db2.gz SNDBTNCVYLWWAD-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000084066933 387438710 /nfs/dbraw/zinc/43/87/10/387438710.db2.gz SNDBTNCVYLWWAD-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000084066987 387438714 /nfs/dbraw/zinc/43/87/14/387438714.db2.gz MSKRWOLFESTALY-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000084066989 387439333 /nfs/dbraw/zinc/43/93/33/387439333.db2.gz MSKRWOLFESTALY-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)c(C)o1 ZINC000084066995 178232403 /nfs/dbraw/zinc/23/24/03/178232403.db2.gz DFKAOSCFFLCEMF-YPMHNXCESA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)c(C)o1 ZINC000084066996 178257624 /nfs/dbraw/zinc/25/76/24/178257624.db2.gz DFKAOSCFFLCEMF-AAEUAGOBSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c(C)o1 ZINC000084066997 178230481 /nfs/dbraw/zinc/23/04/81/178230481.db2.gz DFKAOSCFFLCEMF-DGCLKSJQSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)c(C)o1 ZINC000084066998 178254636 /nfs/dbraw/zinc/25/46/36/178254636.db2.gz DFKAOSCFFLCEMF-WCQYABFASA-N 1 0 219.328 3.656 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000084067005 384835200 /nfs/dbraw/zinc/83/52/00/384835200.db2.gz DEVRAYGZGWDKFC-QWRGUYRKSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000084067006 384837158 /nfs/dbraw/zinc/83/71/58/384837158.db2.gz DEVRAYGZGWDKFC-MNOVXSKESA-N 1 0 207.342 3.507 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000084067007 384835768 /nfs/dbraw/zinc/83/57/68/384835768.db2.gz DEVRAYGZGWDKFC-WDEREUQCSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000084067008 384836223 /nfs/dbraw/zinc/83/62/23/384836223.db2.gz DEVRAYGZGWDKFC-GHMZBOCLSA-N 1 0 207.342 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)s1 ZINC000084067021 322911288 /nfs/dbraw/zinc/91/12/88/322911288.db2.gz ZKJTWDFJDDEMJD-NEPJUHHUSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)s1 ZINC000084067022 387439297 /nfs/dbraw/zinc/43/92/97/387439297.db2.gz ZKJTWDFJDDEMJD-RYUDHWBXSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)s1 ZINC000084067023 256759821 /nfs/dbraw/zinc/75/98/21/256759821.db2.gz ZKJTWDFJDDEMJD-VXGBXAGGSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)s1 ZINC000084067024 387438790 /nfs/dbraw/zinc/43/87/90/387438790.db2.gz ZKJTWDFJDDEMJD-NWDGAFQWSA-N 1 0 221.369 3.816 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000084067037 387439721 /nfs/dbraw/zinc/43/97/21/387439721.db2.gz JBADEOVHIAAMHC-LBPRGKRZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000084067038 387439232 /nfs/dbraw/zinc/43/92/32/387439232.db2.gz JBADEOVHIAAMHC-GFCCVEGCSA-N 1 0 207.361 3.654 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CC=CCC2)c(Cl)c1 ZINC000084067971 384835235 /nfs/dbraw/zinc/83/52/35/384835235.db2.gz IEWUWDOJFKVWNZ-LBPRGKRZSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC=CCC2)c(Cl)c1 ZINC000084067974 384835506 /nfs/dbraw/zinc/83/55/06/384835506.db2.gz IEWUWDOJFKVWNZ-GFCCVEGCSA-N 1 0 239.721 3.677 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000084084875 643644647 /nfs/dbraw/zinc/64/46/47/643644647.db2.gz MDGVYLISSLDCRE-LLVKDONJSA-N 1 0 240.778 3.793 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000084084877 631434366 /nfs/dbraw/zinc/43/43/66/631434366.db2.gz MDGVYLISSLDCRE-NSHDSACASA-N 1 0 240.778 3.793 20 0 BHADRO CC1([NH2+]Cc2ccncc2Cl)CCCCC1 ZINC000084084925 322960465 /nfs/dbraw/zinc/96/04/65/322960465.db2.gz FMXLPLFNFUMWSD-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085042 487867199 /nfs/dbraw/zinc/86/71/99/487867199.db2.gz XZNXKSRFNKIZBI-LLVKDONJSA-N 1 0 240.778 3.649 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085043 487998794 /nfs/dbraw/zinc/99/87/94/487998794.db2.gz XZNXKSRFNKIZBI-NSHDSACASA-N 1 0 240.778 3.649 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccncc1Cl ZINC000084085135 387435837 /nfs/dbraw/zinc/43/58/37/387435837.db2.gz ZEJZYPQDOXBGMN-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085153 487867441 /nfs/dbraw/zinc/86/74/41/487867441.db2.gz HYTMLKNHOYNJBY-GHMZBOCLSA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085155 487998818 /nfs/dbraw/zinc/99/88/18/487998818.db2.gz HYTMLKNHOYNJBY-WDEREUQCSA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085158 487998953 /nfs/dbraw/zinc/99/89/53/487998953.db2.gz HYTMLKNHOYNJBY-MNOVXSKESA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000084085160 487998802 /nfs/dbraw/zinc/99/88/02/487998802.db2.gz HYTMLKNHOYNJBY-QWRGUYRKSA-N 1 0 240.778 3.649 20 0 BHADRO FC(F)(F)CCC[NH2+]C1CCCCCC1 ZINC000084123684 411278786 /nfs/dbraw/zinc/27/87/86/411278786.db2.gz VXWQOUAODMZEDW-UHFFFAOYSA-N 1 0 223.282 3.641 20 0 BHADRO CC(C)CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137620 387438142 /nfs/dbraw/zinc/43/81/42/387438142.db2.gz GWYVYVIOLDADBR-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CC1)CC1CCCC1 ZINC000084138123 388652658 /nfs/dbraw/zinc/65/26/58/388652658.db2.gz OKPWRRGLBOKABU-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO CCCCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138163 387437387 /nfs/dbraw/zinc/43/73/87/387437387.db2.gz NWLZSCZJHUHBKT-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CC(C)=CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138421 384583142 /nfs/dbraw/zinc/58/31/42/384583142.db2.gz NOLXLCWMSKYAJM-UHFFFAOYSA-N 1 0 235.293 3.617 20 0 BHADRO CCC(CC)C[NH2+]Cc1sccc1C ZINC000084148555 387436816 /nfs/dbraw/zinc/43/68/16/387436816.db2.gz CZEDODIJQSSKFR-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1sccc1C ZINC000084148556 384368278 /nfs/dbraw/zinc/36/82/78/384368278.db2.gz SYPSIMJEMZUXFX-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1sc(C)nc1C ZINC000084148996 135187714 /nfs/dbraw/zinc/18/77/14/135187714.db2.gz CGHBLDRQZAGWDH-UHFFFAOYSA-N 1 0 240.416 3.818 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000084149000 135187790 /nfs/dbraw/zinc/18/77/90/135187790.db2.gz HMXNTPHWFSAFGN-NXEZZACHSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000084149001 135187652 /nfs/dbraw/zinc/18/76/52/135187652.db2.gz HMXNTPHWFSAFGN-VHSXEESVSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000084149002 135187769 /nfs/dbraw/zinc/18/77/69/135187769.db2.gz HMXNTPHWFSAFGN-ZJUUUORDSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000084149003 135187368 /nfs/dbraw/zinc/18/73/68/135187368.db2.gz HMXNTPHWFSAFGN-UWVGGRQHSA-N 1 0 240.416 3.674 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1scnc1C ZINC000084149167 384842754 /nfs/dbraw/zinc/84/27/54/384842754.db2.gz DQCLUONSNYTLOZ-GFCCVEGCSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1scnc1C ZINC000084149168 387436466 /nfs/dbraw/zinc/43/64/66/387436466.db2.gz DQCLUONSNYTLOZ-LBPRGKRZSA-N 1 0 240.416 3.758 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)CCCC(C)C ZINC000084149174 387435870 /nfs/dbraw/zinc/43/58/70/387435870.db2.gz YRCUJEKQVKWMBF-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)CCCC(C)C ZINC000084149175 387435427 /nfs/dbraw/zinc/43/54/27/387435427.db2.gz YRCUJEKQVKWMBF-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncsc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000084149269 384842445 /nfs/dbraw/zinc/84/24/45/384842445.db2.gz CQYXMGNETVUYEB-UHFFFAOYSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncsc1C[NH2+]CCC1CCCCC1 ZINC000084149294 387435174 /nfs/dbraw/zinc/43/51/74/387435174.db2.gz FQLXZNYRKGJGRD-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1scnc1C ZINC000084149477 168319205 /nfs/dbraw/zinc/31/92/05/168319205.db2.gz OTNDSZXDHWJIOP-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000084149496 487811762 /nfs/dbraw/zinc/81/17/62/487811762.db2.gz HWIQPEUYARNUPT-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000084149497 344188780 /nfs/dbraw/zinc/18/87/80/344188780.db2.gz HWIQPEUYARNUPT-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000084149498 344188764 /nfs/dbraw/zinc/18/87/64/344188764.db2.gz HWIQPEUYARNUPT-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCCCC[C@H]1C ZINC000084149499 344188976 /nfs/dbraw/zinc/18/89/76/344188976.db2.gz HWIQPEUYARNUPT-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000084200202 384847423 /nfs/dbraw/zinc/84/74/23/384847423.db2.gz HWRMTHNTNVZLAU-UHFFFAOYSA-N 1 0 249.741 3.785 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccccc2CC)o1 ZINC000084200572 384846844 /nfs/dbraw/zinc/84/68/44/384846844.db2.gz VOIGBFKVONZKIK-UHFFFAOYSA-N 1 0 243.350 3.694 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1sccc1C ZINC000084200947 411278756 /nfs/dbraw/zinc/27/87/56/411278756.db2.gz SNJRVUIKNGOEAV-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CCc1ccccc1CNc1cc[nH+]cc1C ZINC000084205147 135466289 /nfs/dbraw/zinc/46/62/89/135466289.db2.gz REFQCKRNAUMHHA-UHFFFAOYSA-N 1 0 226.323 3.565 20 0 BHADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000084224317 387441746 /nfs/dbraw/zinc/44/17/46/387441746.db2.gz QGNHQTOQWRKICB-AEGPPILISA-N 1 0 247.382 3.541 20 0 BHADRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000084224320 259324279 /nfs/dbraw/zinc/32/42/79/259324279.db2.gz QGNHQTOQWRKICB-QEJZJMRPSA-N 1 0 247.382 3.541 20 0 BHADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000084224323 256759286 /nfs/dbraw/zinc/75/92/86/256759286.db2.gz QGNHQTOQWRKICB-NWANDNLSSA-N 1 0 247.382 3.541 20 0 BHADRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000084224328 387441155 /nfs/dbraw/zinc/44/11/55/387441155.db2.gz QGNHQTOQWRKICB-CFVMTHIKSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000084327558 256760187 /nfs/dbraw/zinc/76/01/87/256760187.db2.gz PYBYKACCNRCGNO-MNOVXSKESA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000084327559 387444965 /nfs/dbraw/zinc/44/49/65/387444965.db2.gz PYBYKACCNRCGNO-QWRGUYRKSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000084327560 387443916 /nfs/dbraw/zinc/44/39/16/387443916.db2.gz PYBYKACCNRCGNO-GHMZBOCLSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000084327562 256760754 /nfs/dbraw/zinc/76/07/54/256760754.db2.gz PYBYKACCNRCGNO-WDEREUQCSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000084327686 535168625 /nfs/dbraw/zinc/16/86/25/535168625.db2.gz OCJPQJYHDVTLPW-UHFFFAOYSA-N 1 0 237.309 3.601 20 0 BHADRO c1csc(CC[NH2+]CC2CCCCCC2)c1 ZINC000084328202 387444102 /nfs/dbraw/zinc/44/41/02/387444102.db2.gz ISTPYYPPTWOKQY-UHFFFAOYSA-N 1 0 237.412 3.851 20 0 BHADRO C([NH2+]C(C1CC1)C1CC1)C1CCCCCC1 ZINC000084328346 384860172 /nfs/dbraw/zinc/86/01/72/384860172.db2.gz QMDAUEBMTQAPJM-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1ccco1 ZINC000084328526 384859945 /nfs/dbraw/zinc/85/99/45/384859945.db2.gz HPDDXKISVINHLZ-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1ccco1 ZINC000084328527 384859772 /nfs/dbraw/zinc/85/97/72/384859772.db2.gz HPDDXKISVINHLZ-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO Cc1csc(C[NH2+]CC2CCCCCC2)n1 ZINC000084329152 135211729 /nfs/dbraw/zinc/21/17/29/135211729.db2.gz QSEWKWURORKOGA-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1ncc(C[NH2+]CC2CCCCCC2)s1 ZINC000084329178 135211330 /nfs/dbraw/zinc/21/13/30/135211330.db2.gz ZAGAWTGZHFASOH-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1nc(C[NH2+]CC2CCCCCC2)cs1 ZINC000084329180 135211465 /nfs/dbraw/zinc/21/14/65/135211465.db2.gz COJMKOXPRBTLEK-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO c1cc(CC[NH2+]CC2CCCCCC2)cs1 ZINC000084329219 256565220 /nfs/dbraw/zinc/56/52/20/256565220.db2.gz GUDNDIOQYZBDHM-UHFFFAOYSA-N 1 0 237.412 3.851 20 0 BHADRO c1cc(C[NH2+]CC2CCCCCC2)cs1 ZINC000084329382 387444023 /nfs/dbraw/zinc/44/40/23/387444023.db2.gz UGQMLFMDQGEPIF-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO Cc1ncsc1C[NH2+]CC1CCCCCC1 ZINC000084329391 256565687 /nfs/dbraw/zinc/56/56/87/256565687.db2.gz VZLKPYMOEMSOHO-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1nccs1 ZINC000084329492 384860296 /nfs/dbraw/zinc/86/02/96/384860296.db2.gz LFXZARIMXLMHHC-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1nccs1 ZINC000084329494 387444651 /nfs/dbraw/zinc/44/46/51/387444651.db2.gz LFXZARIMXLMHHC-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C1=CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC000084329587 387443482 /nfs/dbraw/zinc/44/34/82/387443482.db2.gz UYJLTQOCNTUFBC-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO C1=CC[C@@H]([NH2+]CC2CCCCCC2)CC1 ZINC000084329589 387444333 /nfs/dbraw/zinc/44/43/33/387444333.db2.gz UYJLTQOCNTUFBC-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC1CCC(C)CC1 ZINC000084339454 387446172 /nfs/dbraw/zinc/44/61/72/387446172.db2.gz GTVDFFNUIBLJLC-LXVYMNJGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC1CCC(C)CC1 ZINC000084339455 387446190 /nfs/dbraw/zinc/44/61/90/387446190.db2.gz GTVDFFNUIBLJLC-MBHSVXNSSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC000084340519 384864026 /nfs/dbraw/zinc/86/40/26/384864026.db2.gz VWFVBFCLNJGVQB-OLZOCXBDSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC000084340522 384863353 /nfs/dbraw/zinc/86/33/53/384863353.db2.gz VWFVBFCLNJGVQB-STQMWFEESA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000084340524 387445936 /nfs/dbraw/zinc/44/59/36/387445936.db2.gz VWFVBFCLNJGVQB-CHWSQXEVSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000084340525 387446167 /nfs/dbraw/zinc/44/61/67/387446167.db2.gz VWFVBFCLNJGVQB-QWHCGFSZSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000084340601 387446141 /nfs/dbraw/zinc/44/61/41/387446141.db2.gz OEBBTDHQYSAEDO-NEPJUHHUSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000084340604 387445724 /nfs/dbraw/zinc/44/57/24/387445724.db2.gz OEBBTDHQYSAEDO-RYUDHWBXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000084340605 256760913 /nfs/dbraw/zinc/76/09/13/256760913.db2.gz OEBBTDHQYSAEDO-VXGBXAGGSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000084340608 387446162 /nfs/dbraw/zinc/44/61/62/387446162.db2.gz OEBBTDHQYSAEDO-NWDGAFQWSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000084340918 256760808 /nfs/dbraw/zinc/76/08/08/256760808.db2.gz YSTIGZYMZRWLBS-AGIUHOORSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000084340925 387446036 /nfs/dbraw/zinc/44/60/36/387446036.db2.gz YSTIGZYMZRWLBS-FRRDWIJNSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000084342372 176138684 /nfs/dbraw/zinc/13/86/84/176138684.db2.gz UGTWXMNFMDZBOM-OCCSQVGLSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000084342374 388076642 /nfs/dbraw/zinc/07/66/42/388076642.db2.gz UGTWXMNFMDZBOM-JSGCOSHPSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000084342376 388076659 /nfs/dbraw/zinc/07/66/59/388076659.db2.gz UGTWXMNFMDZBOM-TZMCWYRMSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000084342378 135469743 /nfs/dbraw/zinc/46/97/43/135469743.db2.gz UGTWXMNFMDZBOM-GXTWGEPZSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084343021 256760911 /nfs/dbraw/zinc/76/09/11/256760911.db2.gz OYCZZAKTGLZMTM-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084343025 256760426 /nfs/dbraw/zinc/76/04/26/256760426.db2.gz OYCZZAKTGLZMTM-MBNYWOFBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000084343113 135210017 /nfs/dbraw/zinc/21/00/17/135210017.db2.gz ZWZBJCSZEYHBCI-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)c1nccs1 ZINC000084343116 387445748 /nfs/dbraw/zinc/44/57/48/387445748.db2.gz ZWZBJCSZEYHBCI-SRVKXCTJSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000084343118 135210390 /nfs/dbraw/zinc/21/03/90/135210390.db2.gz ZWZBJCSZEYHBCI-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)c1nccs1 ZINC000084343120 387446243 /nfs/dbraw/zinc/44/62/43/387446243.db2.gz ZWZBJCSZEYHBCI-SDDRHHMPSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC=CCC2)C1 ZINC000084343293 387445863 /nfs/dbraw/zinc/44/58/63/387445863.db2.gz LHPJRVZQORRDAF-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC=CCC2)C1 ZINC000084343298 387445768 /nfs/dbraw/zinc/44/57/68/387445768.db2.gz LHPJRVZQORRDAF-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]([NH2+]C1CC1)c1cc(C)ccc1C ZINC000084366800 488047123 /nfs/dbraw/zinc/04/71/23/488047123.db2.gz ODVRDQMEUFDWJJ-AWEZNQCLSA-N 1 0 203.329 3.507 20 0 BHADRO CC[C@@H]([NH2+]C1CC1)c1cc(C)ccc1C ZINC000084366802 488047202 /nfs/dbraw/zinc/04/72/02/488047202.db2.gz ODVRDQMEUFDWJJ-CQSZACIVSA-N 1 0 203.329 3.507 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000084367050 135213910 /nfs/dbraw/zinc/21/39/10/135213910.db2.gz XPHISBUEPWBWLD-AWEZNQCLSA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000084367054 135213809 /nfs/dbraw/zinc/21/38/09/135213809.db2.gz XPHISBUEPWBWLD-CQSZACIVSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C(C)C)C(C)C ZINC000084370148 256760903 /nfs/dbraw/zinc/76/09/03/256760903.db2.gz SPHGILORJQHORO-CQSZACIVSA-N 1 0 205.345 3.690 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C(C)C)C(C)C ZINC000084370150 387444415 /nfs/dbraw/zinc/44/44/15/387444415.db2.gz SPHGILORJQHORO-AWEZNQCLSA-N 1 0 205.345 3.690 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1F)C(C)C ZINC000084389414 488049034 /nfs/dbraw/zinc/04/90/34/488049034.db2.gz GVAONFCIRIWJOR-ZDUSSCGKSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000084389415 488048940 /nfs/dbraw/zinc/04/89/40/488048940.db2.gz GVAONFCIRIWJOR-CYBMUJFWSA-N 1 0 209.308 3.521 20 0 BHADRO CC(C)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000084389780 643556034 /nfs/dbraw/zinc/55/60/34/643556034.db2.gz MPNYSNJLAMKRMH-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO c1ccc([C@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000084396262 398214017 /nfs/dbraw/zinc/21/40/17/398214017.db2.gz VVFSYFFEYUOQDW-HNNXBMFYSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000084396264 398213644 /nfs/dbraw/zinc/21/36/44/398213644.db2.gz VVFSYFFEYUOQDW-OAHLLOKOSA-N 1 0 215.340 3.670 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC2)C2CCC2)cc1 ZINC000084396276 398213873 /nfs/dbraw/zinc/21/38/73/398213873.db2.gz PDEMLBWAARWNEA-OAHLLOKOSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC2)C2CCC2)cc1 ZINC000084396277 398213792 /nfs/dbraw/zinc/21/37/92/398213792.db2.gz PDEMLBWAARWNEA-HNNXBMFYSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@H]([NH2+]C1CC1)c1ccc(Cl)s1 ZINC000084396491 384391352 /nfs/dbraw/zinc/39/13/52/384391352.db2.gz NBHKBNMORPXLKP-QMMMGPOBSA-N 1 0 215.749 3.605 20 0 BHADRO CC[C@@H]([NH2+]C1CC1)c1ccc(Cl)s1 ZINC000084396495 384391377 /nfs/dbraw/zinc/39/13/77/384391377.db2.gz NBHKBNMORPXLKP-MRVPVSSYSA-N 1 0 215.749 3.605 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000084398041 398214024 /nfs/dbraw/zinc/21/40/24/398214024.db2.gz OQLBRBVKQFGJHD-HNNXBMFYSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000084398043 398213663 /nfs/dbraw/zinc/21/36/63/398213663.db2.gz OQLBRBVKQFGJHD-OAHLLOKOSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000084419755 387447183 /nfs/dbraw/zinc/44/71/83/387447183.db2.gz NCURJKLKDILQQU-CQSZACIVSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000084419758 384865983 /nfs/dbraw/zinc/86/59/83/384865983.db2.gz NCURJKLKDILQQU-AWEZNQCLSA-N 1 0 221.319 3.665 20 0 BHADRO Cc1cc([C@H]([NH2+]C(C)C)C2CC2)ccc1F ZINC000084419762 387447967 /nfs/dbraw/zinc/44/79/67/387447967.db2.gz SLPIWLZLWYLMRZ-CQSZACIVSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@@H]([NH2+]C(C)C)C2CC2)ccc1F ZINC000084419764 387447540 /nfs/dbraw/zinc/44/75/40/387447540.db2.gz SLPIWLZLWYLMRZ-AWEZNQCLSA-N 1 0 221.319 3.583 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000084423032 256761699 /nfs/dbraw/zinc/76/16/99/256761699.db2.gz WADJRPFNNQEJRH-ZDUSSCGKSA-N 1 0 223.747 3.789 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000084423034 387448286 /nfs/dbraw/zinc/44/82/86/387448286.db2.gz WADJRPFNNQEJRH-CYBMUJFWSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2ccc(F)cc2)C[C@@H](C)C1 ZINC000084461408 387447668 /nfs/dbraw/zinc/44/76/68/387447668.db2.gz YYBFROGTEDEGBU-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CC([NH2+]Cc2ccc(F)cc2)C[C@H](C)C1 ZINC000084461410 387447430 /nfs/dbraw/zinc/44/74/30/387447430.db2.gz YYBFROGTEDEGBU-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccccc1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084461413 384871146 /nfs/dbraw/zinc/87/11/46/384871146.db2.gz JILZAWPFXCRVEM-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084461415 256761301 /nfs/dbraw/zinc/76/13/01/256761301.db2.gz JILZAWPFXCRVEM-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2cccc(F)c2)C[C@@H](C)C1 ZINC000084461467 384868960 /nfs/dbraw/zinc/86/89/60/384868960.db2.gz MFVOJKFKOGTUSR-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CC([NH2+]Cc2cccc(F)c2)C[C@H](C)C1 ZINC000084461469 387446944 /nfs/dbraw/zinc/44/69/44/387446944.db2.gz MFVOJKFKOGTUSR-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC([NH2+]Cc2ccccc2F)C[C@@H](C)C1 ZINC000084461534 387447283 /nfs/dbraw/zinc/44/72/83/387447283.db2.gz JSDBUTJRQAYVLT-RYUDHWBXSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H]1CC([NH2+]Cc2ccccc2F)C[C@H](C)C1 ZINC000084461536 387448195 /nfs/dbraw/zinc/44/81/95/387448195.db2.gz JSDBUTJRQAYVLT-VXGBXAGGSA-N 1 0 235.346 3.740 20 0 BHADRO COc1cccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000084461578 387448298 /nfs/dbraw/zinc/44/82/98/387448298.db2.gz QPOAZAJRTTUAQQ-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000084461579 387448216 /nfs/dbraw/zinc/44/82/16/387448216.db2.gz QPOAZAJRTTUAQQ-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000084461656 384869225 /nfs/dbraw/zinc/86/92/25/384869225.db2.gz NDLPZBUFBZMRHL-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000084461657 256565046 /nfs/dbraw/zinc/56/50/46/256565046.db2.gz NDLPZBUFBZMRHL-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000084462747 384870221 /nfs/dbraw/zinc/87/02/21/384870221.db2.gz ZOKJQHWQLMJRSB-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1ccccn1 ZINC000084462770 538114108 /nfs/dbraw/zinc/11/41/08/538114108.db2.gz BNCDZYFSIJNFKN-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000084462771 384868166 /nfs/dbraw/zinc/86/81/66/384868166.db2.gz BNCDZYFSIJNFKN-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1cccnc1 ZINC000084462842 384870322 /nfs/dbraw/zinc/87/03/22/384870322.db2.gz GWBLFRCKNBDANH-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000084462843 388077782 /nfs/dbraw/zinc/07/77/82/388077782.db2.gz GWBLFRCKNBDANH-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084464919 644425631 /nfs/dbraw/zinc/42/56/31/644425631.db2.gz WUGKWBOXRZFWQR-UPJWGTAASA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000084468324 387447631 /nfs/dbraw/zinc/44/76/31/387447631.db2.gz LZQSBRFZMBYFCR-AVGNSLFASA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000084468325 387447293 /nfs/dbraw/zinc/44/72/93/387447293.db2.gz LZQSBRFZMBYFCR-UPJWGTAASA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]1CC([NH2+]CCc2ccsc2)C[C@@H](C)C1 ZINC000084469083 256761331 /nfs/dbraw/zinc/76/13/31/256761331.db2.gz NIZKIGCCBPOIRS-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC([NH2+]CCc2ccsc2)C[C@H](C)C1 ZINC000084469084 387447693 /nfs/dbraw/zinc/44/76/93/387447693.db2.gz NIZKIGCCBPOIRS-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000084566760 488063563 /nfs/dbraw/zinc/06/35/63/488063563.db2.gz NLXWVACHHQXCOZ-CQSZACIVSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000084566762 488063603 /nfs/dbraw/zinc/06/36/03/488063603.db2.gz NLXWVACHHQXCOZ-AWEZNQCLSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1ccc(C)c(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000084566766 488063895 /nfs/dbraw/zinc/06/38/95/488063895.db2.gz DCHBBKTXHMELIK-CQSZACIVSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1ccc(C)c(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000084566770 488063785 /nfs/dbraw/zinc/06/37/85/488063785.db2.gz DCHBBKTXHMELIK-AWEZNQCLSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000084566773 488063627 /nfs/dbraw/zinc/06/36/27/488063627.db2.gz YOTAWMXXBAOTHT-OAHLLOKOSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000084566775 488063575 /nfs/dbraw/zinc/06/35/75/488063575.db2.gz YOTAWMXXBAOTHT-HNNXBMFYSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1cc(C)cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000084566776 488063591 /nfs/dbraw/zinc/06/35/91/488063591.db2.gz DOXYKJIKORVAQR-CQSZACIVSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1cc(C)cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000084566778 488063484 /nfs/dbraw/zinc/06/34/84/488063484.db2.gz DOXYKJIKORVAQR-AWEZNQCLSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1cccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000084566784 488063536 /nfs/dbraw/zinc/06/35/36/488063536.db2.gz URZBMXQYVNAPIX-CQSZACIVSA-N 1 0 246.398 3.588 20 0 BHADRO Cc1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000084566785 488063658 /nfs/dbraw/zinc/06/36/58/488063658.db2.gz URZBMXQYVNAPIX-AWEZNQCLSA-N 1 0 246.398 3.588 20 0 BHADRO CCc1ccccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084566787 488063583 /nfs/dbraw/zinc/06/35/83/488063583.db2.gz ZRYKLUMRKZZQJY-CQSZACIVSA-N 1 0 246.398 3.534 20 0 BHADRO CCc1ccccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084566789 488063467 /nfs/dbraw/zinc/06/34/67/488063467.db2.gz ZRYKLUMRKZZQJY-AWEZNQCLSA-N 1 0 246.398 3.534 20 0 BHADRO CCc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000084566791 488063809 /nfs/dbraw/zinc/06/38/09/488063809.db2.gz SQCBCAVUIOCGOC-OAHLLOKOSA-N 1 0 246.398 3.534 20 0 BHADRO CCc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000084566792 488063871 /nfs/dbraw/zinc/06/38/71/488063871.db2.gz SQCBCAVUIOCGOC-HNNXBMFYSA-N 1 0 246.398 3.534 20 0 BHADRO CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000084652114 169190935 /nfs/dbraw/zinc/19/09/35/169190935.db2.gz VJMHFTWPTBTXRW-UHFFFAOYSA-N 1 0 237.774 3.929 20 0 BHADRO CC(C)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000084848577 631453810 /nfs/dbraw/zinc/45/38/10/631453810.db2.gz CLIUMHMYBHEOGM-UHFFFAOYSA-N 1 0 238.281 3.534 20 0 BHADRO CC(C)C[NH+](Cc1ccc(O)cc1)CC(C)C ZINC000084857665 541364186 /nfs/dbraw/zinc/36/41/86/541364186.db2.gz HWCBWUZTSJSSCH-UHFFFAOYSA-N 1 0 235.371 3.506 20 0 BHADRO CC(C)C[NH+](Cc1cccc(O)c1)CC(C)C ZINC000084857684 388081396 /nfs/dbraw/zinc/08/13/96/388081396.db2.gz YGDKCNMZMTUNGU-UHFFFAOYSA-N 1 0 235.371 3.506 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000084877275 387464405 /nfs/dbraw/zinc/46/44/05/387464405.db2.gz ORWPFOXSTRYTJC-DOMZBBRYSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000084877277 387463130 /nfs/dbraw/zinc/46/31/30/387463130.db2.gz ORWPFOXSTRYTJC-IUODEOHRSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000084877279 387464688 /nfs/dbraw/zinc/46/46/88/387464688.db2.gz ORWPFOXSTRYTJC-WFASDCNBSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000084877281 387464175 /nfs/dbraw/zinc/46/41/75/387464175.db2.gz ORWPFOXSTRYTJC-SWLSCSKDSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CC)C1CC1 ZINC000084877292 322812585 /nfs/dbraw/zinc/81/25/85/322812585.db2.gz SCNIIJVIOULMNN-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CC)C1CC1 ZINC000084877296 256765904 /nfs/dbraw/zinc/76/59/04/256765904.db2.gz SCNIIJVIOULMNN-KWCYVHTRSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(CO)cc1 ZINC000084896485 384904845 /nfs/dbraw/zinc/90/48/45/384904845.db2.gz SFJBVHWVVXUUGC-UHFFFAOYSA-N 1 0 249.398 3.581 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(F)cc1 ZINC000084901636 387472316 /nfs/dbraw/zinc/47/23/16/387472316.db2.gz NWCVKIWKKWUVTG-UHFFFAOYSA-N 1 0 223.335 3.884 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccccc1F ZINC000084901641 384904362 /nfs/dbraw/zinc/90/43/62/384904362.db2.gz XLVUBAYZMLFQJM-UHFFFAOYSA-N 1 0 223.335 3.884 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(C)o1 ZINC000084901652 387473253 /nfs/dbraw/zinc/47/32/53/387473253.db2.gz OXRNLAFKBDSAHL-UHFFFAOYSA-N 1 0 209.333 3.646 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000084901871 176130749 /nfs/dbraw/zinc/13/07/49/176130749.db2.gz FCSBTKUGKJNZIL-OCCSQVGLSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000084901873 177125593 /nfs/dbraw/zinc/12/55/93/177125593.db2.gz FCSBTKUGKJNZIL-JSGCOSHPSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000084901876 176149532 /nfs/dbraw/zinc/14/95/32/176149532.db2.gz FCSBTKUGKJNZIL-TZMCWYRMSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000084901878 177142360 /nfs/dbraw/zinc/14/23/60/177142360.db2.gz FCSBTKUGKJNZIL-GXTWGEPZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000084961369 345530413 /nfs/dbraw/zinc/53/04/13/345530413.db2.gz JKBBSHYWYNILQM-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000084961371 345530557 /nfs/dbraw/zinc/53/05/57/345530557.db2.gz JKBBSHYWYNILQM-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1Cl ZINC000084961413 345530574 /nfs/dbraw/zinc/53/05/74/345530574.db2.gz ZJZUCGLGRXSQLB-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1Cl ZINC000084961415 345530445 /nfs/dbraw/zinc/53/04/45/345530445.db2.gz ZJZUCGLGRXSQLB-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084973841 387477645 /nfs/dbraw/zinc/47/76/45/387477645.db2.gz RQDKIJWCIAQGTJ-AVGNSLFASA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084973843 256768966 /nfs/dbraw/zinc/76/89/66/256768966.db2.gz RQDKIJWCIAQGTJ-UPJWGTAASA-N 1 0 241.419 3.604 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000084981303 387478147 /nfs/dbraw/zinc/47/81/47/387478147.db2.gz JMVPYQBZLPKMJC-VNHYZAJKSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000084981304 387477768 /nfs/dbraw/zinc/47/77/68/387477768.db2.gz JMVPYQBZLPKMJC-KCQAQPDRSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000084981564 387477351 /nfs/dbraw/zinc/47/73/51/387477351.db2.gz LQPGYRRQWZZOIH-VNHYZAJKSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000084981565 256768585 /nfs/dbraw/zinc/76/85/85/256768585.db2.gz LQPGYRRQWZZOIH-KCQAQPDRSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccncc1 ZINC000084982160 388082335 /nfs/dbraw/zinc/08/23/35/388082335.db2.gz SJZHJORMMIAPRB-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccncc1 ZINC000084982162 388081898 /nfs/dbraw/zinc/08/18/98/388081898.db2.gz SJZHJORMMIAPRB-PWNZVWSESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccn1 ZINC000084982228 538115361 /nfs/dbraw/zinc/11/53/61/538115361.db2.gz ZTHYOZYVBYBRCN-RFGFWPKPSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccn1 ZINC000084982232 398286780 /nfs/dbraw/zinc/28/67/80/398286780.db2.gz ZTHYOZYVBYBRCN-ZOBORPQBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccn1 ZINC000084982234 176902992 /nfs/dbraw/zinc/90/29/92/176902992.db2.gz ZTHYOZYVBYBRCN-XDQVBPFNSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)c1cccnc1 ZINC000084982334 387477546 /nfs/dbraw/zinc/47/75/46/387477546.db2.gz KBVFMDTZKABTQQ-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccnc1 ZINC000084982337 398286842 /nfs/dbraw/zinc/28/68/42/398286842.db2.gz KBVFMDTZKABTQQ-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccnc1 ZINC000084982340 176902943 /nfs/dbraw/zinc/90/29/43/176902943.db2.gz KBVFMDTZKABTQQ-PWNZVWSESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000084986562 387476763 /nfs/dbraw/zinc/47/67/63/387476763.db2.gz SZZSSWRIHOLODV-OSFYFWSMSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000084986566 387477409 /nfs/dbraw/zinc/47/74/09/387477409.db2.gz SZZSSWRIHOLODV-UKTARXLSSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000084986568 387477187 /nfs/dbraw/zinc/47/71/87/387477187.db2.gz SZZSSWRIHOLODV-PWNZVWSESA-N 1 0 247.382 3.868 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000084986816 387478212 /nfs/dbraw/zinc/47/82/12/387478212.db2.gz RLKLMEIIAHNSOM-VNHYZAJKSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000084986818 387476728 /nfs/dbraw/zinc/47/67/28/387476728.db2.gz RLKLMEIIAHNSOM-KCQAQPDRSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc32)C[C@@H]1C ZINC000084988711 256768994 /nfs/dbraw/zinc/76/89/94/256768994.db2.gz PFSOKJVIGMNMIF-UKTARXLSSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000085035141 384912053 /nfs/dbraw/zinc/91/20/53/384912053.db2.gz UHMKBOBQPRRZNU-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000085041638 384915075 /nfs/dbraw/zinc/91/50/75/384915075.db2.gz UISRHLRRWWJVQT-ZOBORPQBSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000085041640 387467877 /nfs/dbraw/zinc/46/78/77/387467877.db2.gz UISRHLRRWWJVQT-XDQVBPFNSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000085063541 256566825 /nfs/dbraw/zinc/56/68/25/256566825.db2.gz GVDLHJMAJLJICS-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000085063545 256566728 /nfs/dbraw/zinc/56/67/28/256566728.db2.gz GVDLHJMAJLJICS-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000085063584 388082924 /nfs/dbraw/zinc/08/29/24/388082924.db2.gz UKJLRLYKQMWESE-GUTXKFCHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000085063590 388083126 /nfs/dbraw/zinc/08/31/26/388083126.db2.gz UKJLRLYKQMWESE-GZBFAFLISA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2OC)C1 ZINC000085064082 256566399 /nfs/dbraw/zinc/56/63/99/256566399.db2.gz YVFATHADNYWCQX-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000085064362 256566457 /nfs/dbraw/zinc/56/64/57/256566457.db2.gz QJWFKIVVCWHEEK-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000085064793 384916500 /nfs/dbraw/zinc/91/65/00/384916500.db2.gz KDUGCRLFEJMJGZ-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000085064800 256567728 /nfs/dbraw/zinc/56/77/28/256567728.db2.gz KDUGCRLFEJMJGZ-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000085065792 538115537 /nfs/dbraw/zinc/11/55/37/538115537.db2.gz VKORKLRWGYNWFH-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000085085828 384913867 /nfs/dbraw/zinc/91/38/67/384913867.db2.gz QLVIECPFGNIXGD-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)c1ccccn1 ZINC000085085832 488126880 /nfs/dbraw/zinc/12/68/80/488126880.db2.gz QLVIECPFGNIXGD-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cccnc1 ZINC000085086021 384915740 /nfs/dbraw/zinc/91/57/40/384915740.db2.gz SYRDKSUNOVIJPB-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)c1cccnc1 ZINC000085086025 387472773 /nfs/dbraw/zinc/47/27/73/387472773.db2.gz SYRDKSUNOVIJPB-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126294 387476540 /nfs/dbraw/zinc/47/65/40/387476540.db2.gz LOKKXECWWNYHCX-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126299 384919985 /nfs/dbraw/zinc/91/99/85/384919985.db2.gz LOKKXECWWNYHCX-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126300 384918177 /nfs/dbraw/zinc/91/81/77/384918177.db2.gz LOKKXECWWNYHCX-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126304 387477440 /nfs/dbraw/zinc/47/74/40/387477440.db2.gz LOKKXECWWNYHCX-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129925 387476638 /nfs/dbraw/zinc/47/66/38/387476638.db2.gz XTBJESVALVMQQK-KXNHARMFSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085130038 387477406 /nfs/dbraw/zinc/47/74/06/387477406.db2.gz IUDPLQNDNKELIG-ADEWGFFLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085130042 387477221 /nfs/dbraw/zinc/47/72/21/387477221.db2.gz IUDPLQNDNKELIG-USWWRNFRSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)c1ccccc1OCC[NH+]1CCCCC1 ZINC000085151569 398287477 /nfs/dbraw/zinc/28/74/77/398287477.db2.gz ZLUMXHSVMHORRD-UHFFFAOYSA-N 1 0 247.382 3.675 20 0 BHADRO CC(C)n1ccc(C[NH2+]C2CCCCCCC2)n1 ZINC000085160880 643689323 /nfs/dbraw/zinc/68/93/23/643689323.db2.gz ZEJBTCHDDPRHTG-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)n1ccc(C[NH2+]CCC2CCCCC2)n1 ZINC000085161110 538115833 /nfs/dbraw/zinc/11/58/33/538115833.db2.gz CQXWBBXANMYPFT-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161193 643689797 /nfs/dbraw/zinc/68/97/97/643689797.db2.gz IJZCTFUUFXENSO-CYBMUJFWSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161195 643689057 /nfs/dbraw/zinc/68/90/57/643689057.db2.gz IJZCTFUUFXENSO-ZDUSSCGKSA-N 1 0 237.391 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161201 387479948 /nfs/dbraw/zinc/47/99/48/387479948.db2.gz RAMSCYWLOABTCR-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161203 387479117 /nfs/dbraw/zinc/47/91/17/387479117.db2.gz RAMSCYWLOABTCR-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161204 387480357 /nfs/dbraw/zinc/48/03/57/387480357.db2.gz RAMSCYWLOABTCR-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000085161206 387479587 /nfs/dbraw/zinc/47/95/87/387479587.db2.gz RAMSCYWLOABTCR-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC000085161211 538115795 /nfs/dbraw/zinc/11/57/95/538115795.db2.gz RIVVEESYZUGKSC-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@H](C)C2CCCCC2)n1 ZINC000085161474 256770039 /nfs/dbraw/zinc/77/00/39/256770039.db2.gz ALLPGTWAVJVXEJ-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@H](C)C2CCCCC2)n1 ZINC000085161476 387480538 /nfs/dbraw/zinc/48/05/38/387480538.db2.gz ALLPGTWAVJVXEJ-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+]C2CCC(C)(C)CC2)n1 ZINC000085161631 388665034 /nfs/dbraw/zinc/66/50/34/388665034.db2.gz FDBLMGWOJLCNCG-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000085161686 538115849 /nfs/dbraw/zinc/11/58/49/538115849.db2.gz MEZOITJMFUHRGO-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000085161687 538115773 /nfs/dbraw/zinc/11/57/73/538115773.db2.gz MEZOITJMFUHRGO-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000085161690 538115867 /nfs/dbraw/zinc/11/58/67/538115867.db2.gz MEZOITJMFUHRGO-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000085161692 538115728 /nfs/dbraw/zinc/11/57/28/538115728.db2.gz MEZOITJMFUHRGO-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085172998 256770175 /nfs/dbraw/zinc/77/01/75/256770175.db2.gz ZVOZFYQLFNCFTJ-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173000 387480313 /nfs/dbraw/zinc/48/03/13/387480313.db2.gz ZVOZFYQLFNCFTJ-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173438 384925401 /nfs/dbraw/zinc/92/54/01/384925401.db2.gz NCZRFHVTAWNEJL-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173631 387480394 /nfs/dbraw/zinc/48/03/94/387480394.db2.gz NBPBBTJRUJSIHE-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173632 387479805 /nfs/dbraw/zinc/47/98/05/387479805.db2.gz NBPBBTJRUJSIHE-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173634 387479297 /nfs/dbraw/zinc/47/92/97/387479297.db2.gz NBPBBTJRUJSIHE-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173636 256769694 /nfs/dbraw/zinc/76/96/94/256769694.db2.gz NBPBBTJRUJSIHE-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)C ZINC000085173738 387478819 /nfs/dbraw/zinc/47/88/19/387478819.db2.gz SZQWEPXPFIREHB-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)C ZINC000085173740 387479996 /nfs/dbraw/zinc/47/99/96/387479996.db2.gz SZQWEPXPFIREHB-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085174203 256769891 /nfs/dbraw/zinc/76/98/91/256769891.db2.gz ZKVADHQRPVBSQF-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085174205 387478627 /nfs/dbraw/zinc/47/86/27/387478627.db2.gz ZKVADHQRPVBSQF-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085174240 387479246 /nfs/dbraw/zinc/47/92/46/387479246.db2.gz PVEXHMZBCWTSEJ-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085174242 387479773 /nfs/dbraw/zinc/47/97/73/387479773.db2.gz PVEXHMZBCWTSEJ-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cc(C)ccc1C ZINC000085274755 384930054 /nfs/dbraw/zinc/93/00/54/384930054.db2.gz PNKKVEPGBZHAJG-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCc1ccc(C[NH2+]Cc2sccc2C)cc1 ZINC000085274760 636877038 /nfs/dbraw/zinc/87/70/38/636877038.db2.gz YLHWGUJCPXPOKH-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cnc2ccsc2c1 ZINC000085432927 384945210 /nfs/dbraw/zinc/94/52/10/384945210.db2.gz CDUIVWLLPIMGKS-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cnc2ccsc2c1 ZINC000085432928 384944581 /nfs/dbraw/zinc/94/45/81/384944581.db2.gz CDUIVWLLPIMGKS-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433016 387488835 /nfs/dbraw/zinc/48/88/35/387488835.db2.gz GQRHITFKXFVDGX-NSHDSACASA-N 1 0 248.395 3.993 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433018 384945897 /nfs/dbraw/zinc/94/58/97/384945897.db2.gz GQRHITFKXFVDGX-LLVKDONJSA-N 1 0 248.395 3.993 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cnc2ccsc2c1 ZINC000085433338 384945458 /nfs/dbraw/zinc/94/54/58/384945458.db2.gz UXGBRZFURFCWDF-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cnc2ccsc2c1 ZINC000085433339 175870085 /nfs/dbraw/zinc/87/00/85/175870085.db2.gz UXGBRZFURFCWDF-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cnc2ccsc2c1 ZINC000085433373 384944298 /nfs/dbraw/zinc/94/42/98/384944298.db2.gz ZYWZOHACNSNJAC-UWVGGRQHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cnc2ccsc2c1 ZINC000085433374 176915653 /nfs/dbraw/zinc/91/56/53/176915653.db2.gz ZYWZOHACNSNJAC-VHSXEESVSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000085433375 176907753 /nfs/dbraw/zinc/90/77/53/176907753.db2.gz ZYWZOHACNSNJAC-ZJUUUORDSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cnc2ccsc2c1 ZINC000085433376 384944589 /nfs/dbraw/zinc/94/45/89/384944589.db2.gz ZYWZOHACNSNJAC-NXEZZACHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cnc2ccsc2c1 ZINC000085433688 256770406 /nfs/dbraw/zinc/77/04/06/256770406.db2.gz PVVWLISGXIQLBL-JTQLQIEISA-N 1 0 248.395 3.993 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cnc2ccsc2c1 ZINC000085433689 387487855 /nfs/dbraw/zinc/48/78/55/387487855.db2.gz PVVWLISGXIQLBL-SNVBAGLBSA-N 1 0 248.395 3.993 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433880 388088909 /nfs/dbraw/zinc/08/89/09/388088909.db2.gz LLPRECNTCGFMIJ-TVQRCGJNSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433881 388089060 /nfs/dbraw/zinc/08/90/60/388089060.db2.gz LLPRECNTCGFMIJ-NOZJJQNGSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433882 388088217 /nfs/dbraw/zinc/08/82/17/388088217.db2.gz LLPRECNTCGFMIJ-ZANVPECISA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433883 388089000 /nfs/dbraw/zinc/08/90/00/388089000.db2.gz LLPRECNTCGFMIJ-RNCFNFMXSA-N 1 0 246.379 3.745 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433981 387488186 /nfs/dbraw/zinc/48/81/86/387488186.db2.gz UFYLTZVKUTYMCM-MNOVXSKESA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433982 256770465 /nfs/dbraw/zinc/77/04/65/256770465.db2.gz UFYLTZVKUTYMCM-QWRGUYRKSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433983 387488726 /nfs/dbraw/zinc/48/87/26/387488726.db2.gz UFYLTZVKUTYMCM-GHMZBOCLSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433984 387488171 /nfs/dbraw/zinc/48/81/71/387488171.db2.gz UFYLTZVKUTYMCM-WDEREUQCSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+]Cc2sccc2C)C1 ZINC000085444801 256771187 /nfs/dbraw/zinc/77/11/87/256771187.db2.gz BPUTWGOECGSLFB-NEPJUHHUSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)c1cccs1 ZINC000085444978 384946447 /nfs/dbraw/zinc/94/64/47/384946447.db2.gz MPMQQJCARQLZET-UHFFFAOYSA-N 1 0 237.412 3.948 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000085444980 256770460 /nfs/dbraw/zinc/77/04/60/256770460.db2.gz FKFAWSHLIWKOOQ-NEPJUHHUSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000085444982 256770365 /nfs/dbraw/zinc/77/03/65/256770365.db2.gz FKFAWSHLIWKOOQ-RYUDHWBXSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000085444984 387488127 /nfs/dbraw/zinc/48/81/27/387488127.db2.gz FKFAWSHLIWKOOQ-VXGBXAGGSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000085444986 387489082 /nfs/dbraw/zinc/48/90/82/387489082.db2.gz FKFAWSHLIWKOOQ-NWDGAFQWSA-N 1 0 237.412 3.804 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc(C)cs1 ZINC000085445095 168317467 /nfs/dbraw/zinc/31/74/67/168317467.db2.gz MXEYORAODUNEFM-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCCC[C@@H]2C)n1 ZINC000085447444 344534692 /nfs/dbraw/zinc/53/46/92/344534692.db2.gz PKHLHERRTUSCHO-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCCC[C@@H]2C)n1 ZINC000085447446 344534790 /nfs/dbraw/zinc/53/47/90/344534790.db2.gz PKHLHERRTUSCHO-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCCC[C@H]2C)n1 ZINC000085447448 344534475 /nfs/dbraw/zinc/53/44/75/344534475.db2.gz PKHLHERRTUSCHO-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCCC[C@H]2C)n1 ZINC000085447450 344534621 /nfs/dbraw/zinc/53/46/21/344534621.db2.gz PKHLHERRTUSCHO-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO CCSc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000085537212 384532851 /nfs/dbraw/zinc/53/28/51/384532851.db2.gz UFIBHEGKOJJLNS-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CCSc1cccc(C[NH2+]CC(C)C)c1 ZINC000085537224 384534212 /nfs/dbraw/zinc/53/42/12/384534212.db2.gz CGKJFAJFVAWUGJ-UHFFFAOYSA-N 1 0 223.385 3.544 20 0 BHADRO CC(C)CCCCCC[NH2+]Cc1cc[nH]c1 ZINC000085578923 631460355 /nfs/dbraw/zinc/46/03/55/631460355.db2.gz AOFDEDDYVXNQHL-UHFFFAOYSA-N 1 0 222.376 3.711 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000085657337 256773549 /nfs/dbraw/zinc/77/35/49/256773549.db2.gz YZLDHBUISYBXQF-JTQLQIEISA-N 1 0 225.763 3.832 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000085657339 387500046 /nfs/dbraw/zinc/50/00/46/387500046.db2.gz YZLDHBUISYBXQF-SNVBAGLBSA-N 1 0 225.763 3.832 20 0 BHADRO CC(C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000085657404 387500297 /nfs/dbraw/zinc/50/02/97/387500297.db2.gz IJVUEAIJSBTZDR-LLVKDONJSA-N 1 0 225.763 3.689 20 0 BHADRO CC(C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000085657406 387500060 /nfs/dbraw/zinc/50/00/60/387500060.db2.gz IJVUEAIJSBTZDR-NSHDSACASA-N 1 0 225.763 3.689 20 0 BHADRO CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000085661871 259339278 /nfs/dbraw/zinc/33/92/78/259339278.db2.gz MDCXAYSWNCIGQU-WHXUTIOJSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000085661873 491051487 /nfs/dbraw/zinc/05/14/87/491051487.db2.gz MDCXAYSWNCIGQU-KPPDAEKUSA-N 1 0 237.309 3.743 20 0 BHADRO CCO[C@H]1C[C@@H]([NH2+]C(CC)CC)C12CCCC2 ZINC000085677372 259339608 /nfs/dbraw/zinc/33/96/08/259339608.db2.gz BVMUVWGTTDCGKW-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@H]1C[C@H]([NH2+]C(CC)CC)C12CCCC2 ZINC000085677374 259339515 /nfs/dbraw/zinc/33/95/15/259339515.db2.gz BVMUVWGTTDCGKW-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1C[C@@H]([NH2+]C(CC)CC)C12CCCC2 ZINC000085677376 259339483 /nfs/dbraw/zinc/33/94/83/259339483.db2.gz BVMUVWGTTDCGKW-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1C[C@H]([NH2+]C(CC)CC)C12CCCC2 ZINC000085677379 259339400 /nfs/dbraw/zinc/33/94/00/259339400.db2.gz BVMUVWGTTDCGKW-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000085677516 259339481 /nfs/dbraw/zinc/33/94/81/259339481.db2.gz IDODLSYIBQOVJI-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000085677520 259339339 /nfs/dbraw/zinc/33/93/39/259339339.db2.gz IDODLSYIBQOVJI-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(Cl)n1)C(C)C ZINC000085696842 643770185 /nfs/dbraw/zinc/77/01/85/643770185.db2.gz JTYUFVKWRZSKGF-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO Cc1ncccc1NCc1ccc(Cl)cc1 ZINC000085711630 388095822 /nfs/dbraw/zinc/09/58/22/388095822.db2.gz ZLXTXJBAQDHKGT-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(Cl)n1)C(C)(C)C ZINC000085734134 644451177 /nfs/dbraw/zinc/45/11/77/644451177.db2.gz SMYHBDNAVVXJOJ-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(Cl)n1)C(C)(C)C ZINC000085734135 644451767 /nfs/dbraw/zinc/45/17/67/644451767.db2.gz SMYHBDNAVVXJOJ-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000085822119 398290159 /nfs/dbraw/zinc/29/01/59/398290159.db2.gz CCTWKASPFBNVTO-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]1C ZINC000085977305 644454279 /nfs/dbraw/zinc/45/42/79/644454279.db2.gz KRCPPQWXRFGQKJ-AJCHBCDISA-N 1 0 236.186 3.720 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000085978210 643627166 /nfs/dbraw/zinc/62/71/66/643627166.db2.gz WRBXMBHYEMZIFB-UEQOSDTHSA-N 1 0 236.186 3.864 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000085978219 643626551 /nfs/dbraw/zinc/62/65/51/643626551.db2.gz WRBXMBHYEMZIFB-XMZCBSEDSA-N 1 0 236.186 3.864 20 0 BHADRO Cc1ccc([C@@H](C)NC/C(Cl)=C/Cl)cc1 ZINC000085978471 643870313 /nfs/dbraw/zinc/87/03/13/643870313.db2.gz VUOZMKAINNMCQU-VPMLRQHESA-N 1 0 244.165 3.965 20 0 BHADRO Cc1ccc([C@H](C)NC/C(Cl)=C/Cl)cc1 ZINC000085978475 643870144 /nfs/dbraw/zinc/87/01/44/643870144.db2.gz VUOZMKAINNMCQU-BZPKPHBRSA-N 1 0 244.165 3.965 20 0 BHADRO C[C@H]([NH2+]C/C(Cl)=C/Cl)C1CCCCC1 ZINC000085978957 644453907 /nfs/dbraw/zinc/45/39/07/644453907.db2.gz QFHRMOQZMATRBI-MKVDPYIPSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1CCCCC1 ZINC000085978960 644454389 /nfs/dbraw/zinc/45/43/89/644454389.db2.gz QFHRMOQZMATRBI-MDXIRLPMSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC000085979283 643874579 /nfs/dbraw/zinc/87/45/79/643874579.db2.gz FCAQFZMAYGBWCR-AJCHBCDISA-N 1 0 236.186 3.720 20 0 BHADRO C[C@H](O)CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000085982830 388098614 /nfs/dbraw/zinc/09/86/14/388098614.db2.gz ZYQDZGHGCLQAJO-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](O)CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000085982832 388097998 /nfs/dbraw/zinc/09/79/98/388097998.db2.gz ZYQDZGHGCLQAJO-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](O)CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000085982835 388098474 /nfs/dbraw/zinc/09/84/74/388098474.db2.gz ZYQDZGHGCLQAJO-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](O)CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000085982838 388098499 /nfs/dbraw/zinc/09/84/99/388098499.db2.gz ZYQDZGHGCLQAJO-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO CCCCC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000085983558 644454484 /nfs/dbraw/zinc/45/44/84/644454484.db2.gz OKWUYTFXOLBKSJ-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000085983560 644454327 /nfs/dbraw/zinc/45/43/27/644454327.db2.gz OKWUYTFXOLBKSJ-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000085983563 644454722 /nfs/dbraw/zinc/45/47/22/644454722.db2.gz OKWUYTFXOLBKSJ-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCC(CC)(CC)[NH2+]C/C(Cl)=C/Cl ZINC000085999790 644454021 /nfs/dbraw/zinc/45/40/21/644454021.db2.gz XPFHZOSJQAZJAJ-CLFYSBASSA-N 1 0 224.175 3.864 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCSc1ccccc1 ZINC000086099126 259340246 /nfs/dbraw/zinc/34/02/46/259340246.db2.gz PIIUNIHBVSHYBS-CYBMUJFWSA-N 1 0 237.412 3.947 20 0 BHADRO CCC[C@H](CC)[NH2+]CCSc1ccccc1 ZINC000086099129 259339925 /nfs/dbraw/zinc/33/99/25/259339925.db2.gz PIIUNIHBVSHYBS-ZDUSSCGKSA-N 1 0 237.412 3.947 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCSc1ccccc1 ZINC000086099211 259340119 /nfs/dbraw/zinc/34/01/19/259340119.db2.gz CSNAJCFWTBQUDB-LBPRGKRZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCSc1ccccc1 ZINC000086099214 259340396 /nfs/dbraw/zinc/34/03/96/259340396.db2.gz CSNAJCFWTBQUDB-GFCCVEGCSA-N 1 0 235.396 3.557 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086103834 259340214 /nfs/dbraw/zinc/34/02/14/259340214.db2.gz KJIDRRCLVLATBK-LLVKDONJSA-N 1 0 235.396 3.654 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CSc2ccccc21 ZINC000086103837 259339916 /nfs/dbraw/zinc/33/99/16/259339916.db2.gz KJIDRRCLVLATBK-NSHDSACASA-N 1 0 235.396 3.654 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086103853 259340374 /nfs/dbraw/zinc/34/03/74/259340374.db2.gz OOOBIBYKYRXBSY-VXGBXAGGSA-N 1 0 235.396 3.654 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086103857 259340397 /nfs/dbraw/zinc/34/03/97/259340397.db2.gz OOOBIBYKYRXBSY-NWDGAFQWSA-N 1 0 235.396 3.654 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000086103859 324118217 /nfs/dbraw/zinc/11/82/17/324118217.db2.gz OOOBIBYKYRXBSY-NEPJUHHUSA-N 1 0 235.396 3.654 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000086103864 324118408 /nfs/dbraw/zinc/11/84/08/324118408.db2.gz OOOBIBYKYRXBSY-RYUDHWBXSA-N 1 0 235.396 3.654 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086103901 535167677 /nfs/dbraw/zinc/16/76/77/535167677.db2.gz DAUYASCNVSLOJG-VXGBXAGGSA-N 1 0 235.396 3.510 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086103907 388099691 /nfs/dbraw/zinc/09/96/91/388099691.db2.gz DAUYASCNVSLOJG-NWDGAFQWSA-N 1 0 235.396 3.510 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000086103910 357853720 /nfs/dbraw/zinc/85/37/20/357853720.db2.gz DAUYASCNVSLOJG-NEPJUHHUSA-N 1 0 235.396 3.510 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000086103913 357853494 /nfs/dbraw/zinc/85/34/94/357853494.db2.gz DAUYASCNVSLOJG-RYUDHWBXSA-N 1 0 235.396 3.510 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086104028 357853595 /nfs/dbraw/zinc/85/35/95/357853595.db2.gz HAPSFUSTGNGVAP-LLVKDONJSA-N 1 0 235.396 3.512 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000086104031 357853509 /nfs/dbraw/zinc/85/35/09/357853509.db2.gz HAPSFUSTGNGVAP-NSHDSACASA-N 1 0 235.396 3.512 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086104079 357853802 /nfs/dbraw/zinc/85/38/02/357853802.db2.gz RVKYALKSLUZVOD-VXGBXAGGSA-N 1 0 235.396 3.512 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086104085 357853637 /nfs/dbraw/zinc/85/36/37/357853637.db2.gz RVKYALKSLUZVOD-NWDGAFQWSA-N 1 0 235.396 3.512 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000086104088 357853663 /nfs/dbraw/zinc/85/36/63/357853663.db2.gz RVKYALKSLUZVOD-NEPJUHHUSA-N 1 0 235.396 3.512 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000086104091 357853584 /nfs/dbraw/zinc/85/35/84/357853584.db2.gz RVKYALKSLUZVOD-RYUDHWBXSA-N 1 0 235.396 3.512 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000086109758 643910604 /nfs/dbraw/zinc/91/06/04/643910604.db2.gz PQCBHEVQYHKHGC-JTQLQIEISA-N 1 0 224.348 3.522 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000086109759 643909790 /nfs/dbraw/zinc/90/97/90/643909790.db2.gz PQCBHEVQYHKHGC-SNVBAGLBSA-N 1 0 224.348 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)C1CC1 ZINC000086115889 387516853 /nfs/dbraw/zinc/51/68/53/387516853.db2.gz RJGQTBNVOITNOF-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)C1CC1 ZINC000086115891 387516202 /nfs/dbraw/zinc/51/62/02/387516202.db2.gz RJGQTBNVOITNOF-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)C1CC1 ZINC000086115893 387517060 /nfs/dbraw/zinc/51/70/60/387517060.db2.gz RJGQTBNVOITNOF-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)C1CC1 ZINC000086115896 387515531 /nfs/dbraw/zinc/51/55/31/387515531.db2.gz RJGQTBNVOITNOF-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000086116052 357854348 /nfs/dbraw/zinc/85/43/48/357854348.db2.gz JJBGNIUOQIOSEO-JKSUJKDBSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000086116058 357854282 /nfs/dbraw/zinc/85/42/82/357854282.db2.gz JJBGNIUOQIOSEO-HZPDHXFCSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000086116060 357854062 /nfs/dbraw/zinc/85/40/62/357854062.db2.gz JJBGNIUOQIOSEO-HOTGVXAUSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000086116062 357854239 /nfs/dbraw/zinc/85/42/39/357854239.db2.gz JJBGNIUOQIOSEO-CVEARBPZSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@H]([NH2+]Cc1nc2ccccc2s1)C1CC1 ZINC000086116064 491057842 /nfs/dbraw/zinc/05/78/42/491057842.db2.gz GYDDBDQVRAPZSA-NSHDSACASA-N 1 0 246.379 3.575 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc2ccccc2s1)C1CC1 ZINC000086116067 491057838 /nfs/dbraw/zinc/05/78/38/491057838.db2.gz GYDDBDQVRAPZSA-LLVKDONJSA-N 1 0 246.379 3.575 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1)C1CC1 ZINC000086116099 259340154 /nfs/dbraw/zinc/34/01/54/259340154.db2.gz FNHSZVGMPIUEHJ-BBRMVZONSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1CC1 ZINC000086116103 259340359 /nfs/dbraw/zinc/34/03/59/259340359.db2.gz FNHSZVGMPIUEHJ-XJKSGUPXSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1)C1CC1 ZINC000086116107 387516547 /nfs/dbraw/zinc/51/65/47/387516547.db2.gz FNHSZVGMPIUEHJ-CJNGLKHVSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1)C1CC1 ZINC000086116109 387516837 /nfs/dbraw/zinc/51/68/37/387516837.db2.gz FNHSZVGMPIUEHJ-CZUORRHYSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H]([NH2+]CCCOC1CCCCC1)C1CC1 ZINC000086116280 259340159 /nfs/dbraw/zinc/34/01/59/259340159.db2.gz NSFWWBARSKJTFJ-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCCOC1CCCCC1)C1CC1 ZINC000086116284 387516194 /nfs/dbraw/zinc/51/61/94/387516194.db2.gz NSFWWBARSKJTFJ-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116528 491057845 /nfs/dbraw/zinc/05/78/45/491057845.db2.gz AJHGOMJZDZVPOJ-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116534 491057847 /nfs/dbraw/zinc/05/78/47/491057847.db2.gz AJHGOMJZDZVPOJ-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116541 491057829 /nfs/dbraw/zinc/05/78/29/491057829.db2.gz AJHGOMJZDZVPOJ-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116544 491057831 /nfs/dbraw/zinc/05/78/31/491057831.db2.gz AJHGOMJZDZVPOJ-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000086116811 262913797 /nfs/dbraw/zinc/91/37/97/262913797.db2.gz OZIXOLBEXWNPTI-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000086116812 387515785 /nfs/dbraw/zinc/51/57/85/387515785.db2.gz OZIXOLBEXWNPTI-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)C1CC1 ZINC000086116813 387515686 /nfs/dbraw/zinc/51/56/86/387515686.db2.gz OZIXOLBEXWNPTI-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C1CC1 ZINC000086116816 262913783 /nfs/dbraw/zinc/91/37/83/262913783.db2.gz OZIXOLBEXWNPTI-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000086116827 384988892 /nfs/dbraw/zinc/98/88/92/384988892.db2.gz HAEPIZUCIYYEAP-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000086116831 387516965 /nfs/dbraw/zinc/51/69/65/387516965.db2.gz HAEPIZUCIYYEAP-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000086116834 387516931 /nfs/dbraw/zinc/51/69/31/387516931.db2.gz HAEPIZUCIYYEAP-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000086116836 262913859 /nfs/dbraw/zinc/91/38/59/262913859.db2.gz HAEPIZUCIYYEAP-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1OC)C1CC1 ZINC000086117024 384987941 /nfs/dbraw/zinc/98/79/41/384987941.db2.gz GQLUZZOHDZIWGZ-WFASDCNBSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1OC)C1CC1 ZINC000086117027 384986901 /nfs/dbraw/zinc/98/69/01/384986901.db2.gz GQLUZZOHDZIWGZ-SWLSCSKDSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1OC)C1CC1 ZINC000086117029 387517043 /nfs/dbraw/zinc/51/70/43/387517043.db2.gz GQLUZZOHDZIWGZ-DOMZBBRYSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1OC)C1CC1 ZINC000086117034 384988286 /nfs/dbraw/zinc/98/82/86/384988286.db2.gz GQLUZZOHDZIWGZ-IUODEOHRSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1OC ZINC000086117387 643917525 /nfs/dbraw/zinc/91/75/25/643917525.db2.gz VSTVCSUSGOTUIM-GJZGRUSLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1OC ZINC000086117389 643917850 /nfs/dbraw/zinc/91/78/50/643917850.db2.gz VSTVCSUSGOTUIM-LSDHHAIUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1OC)C1CC1 ZINC000086117392 643917976 /nfs/dbraw/zinc/91/79/76/643917976.db2.gz VSTVCSUSGOTUIM-CABCVRRESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccccc1OC ZINC000086117394 643917533 /nfs/dbraw/zinc/91/75/33/643917533.db2.gz VSTVCSUSGOTUIM-HUUCEWRRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccc(OC)cc1 ZINC000086117864 135490236 /nfs/dbraw/zinc/49/02/36/135490236.db2.gz AZQSLNSRQUMSTA-HOTGVXAUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccc(OC)cc1 ZINC000086117869 388100120 /nfs/dbraw/zinc/10/01/20/388100120.db2.gz AZQSLNSRQUMSTA-JKSUJKDBSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(OC)cc1)C1CC1 ZINC000086117872 388100439 /nfs/dbraw/zinc/10/04/39/388100439.db2.gz AZQSLNSRQUMSTA-CVEARBPZSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccc(OC)cc1 ZINC000086117874 388100061 /nfs/dbraw/zinc/10/00/61/388100061.db2.gz AZQSLNSRQUMSTA-HZPDHXFCSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000086118058 384987259 /nfs/dbraw/zinc/98/72/59/384987259.db2.gz JSSBOUPXDDCMKA-HOTGVXAUSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000086118061 387517024 /nfs/dbraw/zinc/51/70/24/387517024.db2.gz JSSBOUPXDDCMKA-CVEARBPZSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000086118064 387517019 /nfs/dbraw/zinc/51/70/19/387517019.db2.gz JSSBOUPXDDCMKA-JKSUJKDBSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000086118068 387516949 /nfs/dbraw/zinc/51/69/49/387516949.db2.gz JSSBOUPXDDCMKA-HZPDHXFCSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000086118311 387516584 /nfs/dbraw/zinc/51/65/84/387516584.db2.gz BOSJELHQTLFBSN-MCIGGMRASA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000086118315 387515432 /nfs/dbraw/zinc/51/54/32/387515432.db2.gz BOSJELHQTLFBSN-HTAVTVPLSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086118928 384987373 /nfs/dbraw/zinc/98/73/73/384987373.db2.gz QNFQVJOVAGHAPL-TUAOUCFPSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000086118933 384986451 /nfs/dbraw/zinc/98/64/51/384986451.db2.gz QNFQVJOVAGHAPL-SRVKXCTJSA-N 1 0 249.320 3.886 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](CC)C1CC1 ZINC000086119131 384986972 /nfs/dbraw/zinc/98/69/72/384986972.db2.gz WSNBUXBAOODVQS-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](CC)C1CC1 ZINC000086119135 170458846 /nfs/dbraw/zinc/45/88/46/170458846.db2.gz WSNBUXBAOODVQS-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1)C1CC1 ZINC000086119174 387516177 /nfs/dbraw/zinc/51/61/77/387516177.db2.gz IHDQALQNHIYHTJ-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)C1CC1 ZINC000086119178 387516120 /nfs/dbraw/zinc/51/61/20/387516120.db2.gz IHDQALQNHIYHTJ-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)C1CC1 ZINC000086119180 387516564 /nfs/dbraw/zinc/51/65/64/387516564.db2.gz IHDQALQNHIYHTJ-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)C1CC1 ZINC000086119183 387516380 /nfs/dbraw/zinc/51/63/80/387516380.db2.gz IHDQALQNHIYHTJ-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119186 387516110 /nfs/dbraw/zinc/51/61/10/387516110.db2.gz AGASCQHTGPEZTH-ZANVPECISA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119189 387515792 /nfs/dbraw/zinc/51/57/92/387515792.db2.gz AGASCQHTGPEZTH-TVQRCGJNSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119193 387517071 /nfs/dbraw/zinc/51/70/71/387517071.db2.gz AGASCQHTGPEZTH-RNCFNFMXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119194 262913781 /nfs/dbraw/zinc/91/37/81/262913781.db2.gz AGASCQHTGPEZTH-NOZJJQNGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)C1CC1 ZINC000086119321 262913845 /nfs/dbraw/zinc/91/38/45/262913845.db2.gz RSSQMAFLTMSVMP-BBRMVZONSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)C1CC1 ZINC000086119325 387516396 /nfs/dbraw/zinc/51/63/96/387516396.db2.gz RSSQMAFLTMSVMP-XJKSGUPXSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1C)C1CC1 ZINC000086119327 387516867 /nfs/dbraw/zinc/51/68/67/387516867.db2.gz RSSQMAFLTMSVMP-CJNGLKHVSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1C)C1CC1 ZINC000086119330 387516938 /nfs/dbraw/zinc/51/69/38/387516938.db2.gz RSSQMAFLTMSVMP-CZUORRHYSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccccc1)C1CC1 ZINC000086119591 387516308 /nfs/dbraw/zinc/51/63/08/387516308.db2.gz BJLSFRBYJPBCOQ-HNNXBMFYSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccccc1)C1CC1 ZINC000086119594 384988444 /nfs/dbraw/zinc/98/84/44/384988444.db2.gz BJLSFRBYJPBCOQ-OAHLLOKOSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COc1ccc(C)cc1)C1CC1 ZINC000086119670 643917842 /nfs/dbraw/zinc/91/78/42/643917842.db2.gz FWAMFYCMKVVYPG-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COc1ccc(C)cc1)C1CC1 ZINC000086119674 643916796 /nfs/dbraw/zinc/91/67/96/643916796.db2.gz FWAMFYCMKVVYPG-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COc1ccc(C)cc1)C1CC1 ZINC000086119676 643915703 /nfs/dbraw/zinc/91/57/03/643915703.db2.gz FWAMFYCMKVVYPG-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COc1ccc(C)cc1)C1CC1 ZINC000086119679 643916853 /nfs/dbraw/zinc/91/68/53/643916853.db2.gz FWAMFYCMKVVYPG-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C1CC1 ZINC000086119900 262913763 /nfs/dbraw/zinc/91/37/63/262913763.db2.gz OAELKSIFLMHQQQ-CJNGLKHVSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C1CC1 ZINC000086119902 262913854 /nfs/dbraw/zinc/91/38/54/262913854.db2.gz OAELKSIFLMHQQQ-CZUORRHYSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000086119905 387516417 /nfs/dbraw/zinc/51/64/17/387516417.db2.gz OAELKSIFLMHQQQ-BBRMVZONSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000086119907 387516794 /nfs/dbraw/zinc/51/67/94/387516794.db2.gz OAELKSIFLMHQQQ-XJKSGUPXSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C1CC1 ZINC000086119910 491058012 /nfs/dbraw/zinc/05/80/12/491058012.db2.gz DBDKMOAIOVXADA-NHYWBVRUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C1CC1 ZINC000086119911 491057996 /nfs/dbraw/zinc/05/79/96/491057996.db2.gz DBDKMOAIOVXADA-XHDPSFHLSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C1CC1 ZINC000086119915 491058032 /nfs/dbraw/zinc/05/80/32/491058032.db2.gz DBDKMOAIOVXADA-ABAIWWIYSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C1CC1 ZINC000086119917 491058022 /nfs/dbraw/zinc/05/80/22/491058022.db2.gz DBDKMOAIOVXADA-IAQYHMDHSA-N 1 0 235.346 3.535 20 0 BHADRO CCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000086228812 387516662 /nfs/dbraw/zinc/51/66/62/387516662.db2.gz CETQMKJRWUCNIF-PKNBQFBNSA-N 1 0 223.747 3.743 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C(C)C ZINC000086228914 387516695 /nfs/dbraw/zinc/51/66/95/387516695.db2.gz BPNMKVDYJXRWRT-DHZHZOJOSA-N 1 0 223.747 3.741 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(C)C ZINC000086229175 384999284 /nfs/dbraw/zinc/99/92/84/384999284.db2.gz DBAYXLJKDOAJFR-XYOKQWHBSA-N 1 0 237.774 3.989 20 0 BHADRO CC(C)[C@@H](C[NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086249996 388682964 /nfs/dbraw/zinc/68/29/64/388682964.db2.gz PKFVSNSEINFVDN-MRXNPFEDSA-N 1 0 242.366 3.544 20 0 BHADRO CC(C)[C@H](C[NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086249998 388683962 /nfs/dbraw/zinc/68/39/62/388683962.db2.gz PKFVSNSEINFVDN-INIZCTEOSA-N 1 0 242.366 3.544 20 0 BHADRO c1cc(C[NH2+]Cc2csc3ccccc23)c[nH]1 ZINC000086251120 345536687 /nfs/dbraw/zinc/53/66/87/345536687.db2.gz FCODIUUKLTYXEV-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1cc[nH]c1)c1cccs1 ZINC000086251542 345536665 /nfs/dbraw/zinc/53/66/65/345536665.db2.gz UNLDTOQOUMOTLM-ZDUSSCGKSA-N 1 0 248.395 3.953 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccs1 ZINC000086251544 345536693 /nfs/dbraw/zinc/53/66/93/345536693.db2.gz UNLDTOQOUMOTLM-CYBMUJFWSA-N 1 0 248.395 3.953 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000086252234 325612325 /nfs/dbraw/zinc/61/23/25/325612325.db2.gz MDXCDOIMUMQPLC-UHFFFAOYSA-N 1 0 242.366 3.602 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cc[nH]c1 ZINC000086252822 256569086 /nfs/dbraw/zinc/56/90/86/256569086.db2.gz RMWZMJKJKORWAO-UHFFFAOYSA-N 1 0 222.376 3.565 20 0 BHADRO c1cc(C[NH2+]C2(c3ccccc3)CCCC2)c[nH]1 ZINC000086254112 325612188 /nfs/dbraw/zinc/61/21/88/325612188.db2.gz KWYFPUNJOQMIGK-UHFFFAOYSA-N 1 0 240.350 3.574 20 0 BHADRO CC(C)([NH2+]Cc1cc[nH]c1)c1cccc(Cl)c1 ZINC000086254745 188143253 /nfs/dbraw/zinc/14/32/53/188143253.db2.gz MGHHPARTUFVUBO-UHFFFAOYSA-N 1 0 248.757 3.693 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000086256793 325612222 /nfs/dbraw/zinc/61/22/22/325612222.db2.gz SXJULACDOTXBIF-UHFFFAOYSA-N 1 0 242.366 3.602 20 0 BHADRO Clc1csc(C[NH2+]C2CCCCC2)c1 ZINC000086331982 398191123 /nfs/dbraw/zinc/19/11/23/398191123.db2.gz SFJXQGIBSUHVJB-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(Cl)cs1 ZINC000086331985 256779524 /nfs/dbraw/zinc/77/95/24/256779524.db2.gz WIOQEHYELCYJSS-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(Cl)cs1 ZINC000086331998 384639634 /nfs/dbraw/zinc/63/96/34/384639634.db2.gz OMQOYIIHCBPTSR-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO Clc1csc(C[NH2+]Cc2ccccc2)c1 ZINC000086332005 398191193 /nfs/dbraw/zinc/19/11/93/398191193.db2.gz GGRCRRBNQFMASL-UHFFFAOYSA-N 1 0 237.755 3.691 20 0 BHADRO CCCCC[NH2+]Cc1cc(Cl)cs1 ZINC000086332015 387520615 /nfs/dbraw/zinc/52/06/15/387520615.db2.gz DSLDVXQRHAYCQM-UHFFFAOYSA-N 1 0 217.765 3.681 20 0 BHADRO CC(C)CC[NH2+]Cc1cc(Cl)cs1 ZINC000086332056 135490872 /nfs/dbraw/zinc/49/08/72/135490872.db2.gz MDXXCKNWMDTLCR-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO Clc1csc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000086332211 135081771 /nfs/dbraw/zinc/08/17/71/135081771.db2.gz KRWJKLGHFGTGTK-UHFFFAOYSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1csc(C[NH2+]Cc2cccs2)c1 ZINC000086332218 135081065 /nfs/dbraw/zinc/08/10/65/135081065.db2.gz RHSPWVJBJQWYCB-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO Clc1csc(C[NH2+]CC2CCCC2)c1 ZINC000086332322 387520163 /nfs/dbraw/zinc/52/01/63/387520163.db2.gz HRQJTHDVQRQTOA-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332327 387520713 /nfs/dbraw/zinc/52/07/13/387520713.db2.gz KVGBRWOYHMKOPA-SECBINFHSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332328 387521516 /nfs/dbraw/zinc/52/15/16/387521516.db2.gz KVGBRWOYHMKOPA-VIFPVBQESA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000086332540 387520913 /nfs/dbraw/zinc/52/09/13/387520913.db2.gz ANBGTBVPQZBRDK-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332549 387521084 /nfs/dbraw/zinc/52/10/84/387521084.db2.gz OUKGIKTXDSIGJV-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CC1([NH2+]Cc2cc(Cl)cs2)CCCC1 ZINC000086332576 385010944 /nfs/dbraw/zinc/01/09/44/385010944.db2.gz FGQAGEYJZHVYEF-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332587 259326150 /nfs/dbraw/zinc/32/61/50/259326150.db2.gz KRFJMQOTOBPWCM-RKDXNWHRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332589 385010649 /nfs/dbraw/zinc/01/06/49/385010649.db2.gz KRFJMQOTOBPWCM-DTWKUNHWSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332591 387520975 /nfs/dbraw/zinc/52/09/75/387520975.db2.gz KRFJMQOTOBPWCM-BDAKNGLRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000086332592 387521306 /nfs/dbraw/zinc/52/13/06/387521306.db2.gz KRFJMQOTOBPWCM-IUCAKERBSA-N 1 0 231.792 3.926 20 0 BHADRO Clc1csc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000086332696 387520509 /nfs/dbraw/zinc/52/05/09/387520509.db2.gz CZJVULZNFMGNBO-JTQLQIEISA-N 1 0 241.787 3.847 20 0 BHADRO Clc1csc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000086332698 387521000 /nfs/dbraw/zinc/52/10/00/387521000.db2.gz CZJVULZNFMGNBO-SNVBAGLBSA-N 1 0 241.787 3.847 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(Cl)cs2)o1 ZINC000086332755 644461438 /nfs/dbraw/zinc/46/14/38/644461438.db2.gz LIMFHLAJRARYNH-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332774 387520650 /nfs/dbraw/zinc/52/06/50/387520650.db2.gz INUQSYOWKNPDRB-MRVPVSSYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332776 387520801 /nfs/dbraw/zinc/52/08/01/387520801.db2.gz INUQSYOWKNPDRB-QMMMGPOBSA-N 1 0 217.765 3.537 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332806 256569035 /nfs/dbraw/zinc/56/90/35/256569035.db2.gz VLIQSEPRQJQZSL-KCJUWKMLSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332808 385011921 /nfs/dbraw/zinc/01/19/21/385011921.db2.gz VLIQSEPRQJQZSL-KWQFWETISA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332810 387521204 /nfs/dbraw/zinc/52/12/04/387521204.db2.gz VLIQSEPRQJQZSL-LDYMZIIASA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332811 387520481 /nfs/dbraw/zinc/52/04/81/387520481.db2.gz VLIQSEPRQJQZSL-GZMMTYOYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)cs1 ZINC000086332867 135081131 /nfs/dbraw/zinc/08/11/31/135081131.db2.gz MASDDSPHWYSGQW-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc(Cl)cs1 ZINC000086332870 135081662 /nfs/dbraw/zinc/08/16/62/135081662.db2.gz MASDDSPHWYSGQW-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332938 387520542 /nfs/dbraw/zinc/52/05/42/387520542.db2.gz FXEYVVIZYKAMFL-VIFPVBQESA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332940 387520885 /nfs/dbraw/zinc/52/08/85/387520885.db2.gz FXEYVVIZYKAMFL-SECBINFHSA-N 1 0 231.792 3.783 20 0 BHADRO Clc1csc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000086333046 180600589 /nfs/dbraw/zinc/60/05/89/180600589.db2.gz IVBZYHPIOISUKU-JTQLQIEISA-N 1 0 227.760 3.600 20 0 BHADRO Clc1csc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000086333047 180600953 /nfs/dbraw/zinc/60/09/53/180600953.db2.gz IVBZYHPIOISUKU-SNVBAGLBSA-N 1 0 227.760 3.600 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H](C)CO)c1ccccc1 ZINC000086629001 631471167 /nfs/dbraw/zinc/47/11/67/631471167.db2.gz OHWRRQRQSGLQKP-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccccc1OC ZINC000086642120 388396132 /nfs/dbraw/zinc/39/61/32/388396132.db2.gz QDOHDHBKQVLRBK-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccc(OC)c1 ZINC000086642260 256797349 /nfs/dbraw/zinc/79/73/49/256797349.db2.gz HYYKVVINFNHYSV-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(OC)cc1 ZINC000086642431 385037087 /nfs/dbraw/zinc/03/70/87/385037087.db2.gz JIZDEUSMFDTKEA-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC000086642561 385036626 /nfs/dbraw/zinc/03/66/26/385036626.db2.gz DLXGNOBOONULKH-UHFFFAOYSA-N 1 0 237.391 3.522 20 0 BHADRO CCC(CC)(CC)[NH2+]CCOc1ccccc1 ZINC000086642727 388395822 /nfs/dbraw/zinc/39/58/22/388395822.db2.gz LYHMTENRWMQHPF-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000086662506 135093600 /nfs/dbraw/zinc/09/36/00/135093600.db2.gz SGUFPEGIILNHFC-YPMHNXCESA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000086662507 135093435 /nfs/dbraw/zinc/09/34/35/135093435.db2.gz SGUFPEGIILNHFC-AAEUAGOBSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000086662508 135093220 /nfs/dbraw/zinc/09/32/20/135093220.db2.gz SGUFPEGIILNHFC-DGCLKSJQSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000086662509 135093252 /nfs/dbraw/zinc/09/32/52/135093252.db2.gz SGUFPEGIILNHFC-WCQYABFASA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671878 388403761 /nfs/dbraw/zinc/40/37/61/388403761.db2.gz YCOSGDISLQODLY-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671881 388403407 /nfs/dbraw/zinc/40/34/07/388403407.db2.gz YCOSGDISLQODLY-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671883 388403928 /nfs/dbraw/zinc/40/39/28/388403928.db2.gz YCOSGDISLQODLY-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671885 388403788 /nfs/dbraw/zinc/40/37/88/388403788.db2.gz YCOSGDISLQODLY-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000086674811 388105162 /nfs/dbraw/zinc/10/51/62/388105162.db2.gz WNHHEWNCDJYZKF-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000086674812 388105881 /nfs/dbraw/zinc/10/58/81/388105881.db2.gz WNHHEWNCDJYZKF-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000086674813 388105283 /nfs/dbraw/zinc/10/52/83/388105283.db2.gz WNHHEWNCDJYZKF-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000086674814 388105378 /nfs/dbraw/zinc/10/53/78/388105378.db2.gz WNHHEWNCDJYZKF-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000086675024 324171728 /nfs/dbraw/zinc/17/17/28/324171728.db2.gz QQNCWTOAYRFPFS-OFQRWUPVSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000086675026 324171760 /nfs/dbraw/zinc/17/17/60/324171760.db2.gz QQNCWTOAYRFPFS-DZKIICNBSA-N 1 0 231.383 3.704 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000086675307 324171739 /nfs/dbraw/zinc/17/17/39/324171739.db2.gz YVSZGJDBFXIOFH-HIFRSBDPSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000086675308 324171773 /nfs/dbraw/zinc/17/17/73/324171773.db2.gz YVSZGJDBFXIOFH-ZFWWWQNUSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000086675309 324171680 /nfs/dbraw/zinc/17/16/80/324171680.db2.gz YVSZGJDBFXIOFH-UKRRQHHQSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000086675310 324171783 /nfs/dbraw/zinc/17/17/83/324171783.db2.gz YVSZGJDBFXIOFH-DZGCQCFKSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000086675429 711980680 /nfs/dbraw/zinc/98/06/80/711980680.db2.gz DCTRMBZIMOUOAK-OFQRWUPVSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000086675431 711981008 /nfs/dbraw/zinc/98/10/08/711981008.db2.gz DCTRMBZIMOUOAK-DZKIICNBSA-N 1 0 247.382 3.541 20 0 BHADRO COC[C@H]([NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC000086683177 256570534 /nfs/dbraw/zinc/57/05/34/256570534.db2.gz QYUUQCLHYLGGHE-INIZCTEOSA-N 1 0 249.398 3.571 20 0 BHADRO COC[C@@H]([NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC000086683179 385037014 /nfs/dbraw/zinc/03/70/14/385037014.db2.gz QYUUQCLHYLGGHE-MRXNPFEDSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000086683993 388405752 /nfs/dbraw/zinc/40/57/52/388405752.db2.gz IOLQLVFPGDHEHG-CJNGLKHVSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000086683995 388405800 /nfs/dbraw/zinc/40/58/00/388405800.db2.gz IOLQLVFPGDHEHG-BBRMVZONSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000086683998 259513260 /nfs/dbraw/zinc/51/32/60/259513260.db2.gz IOLQLVFPGDHEHG-CZUORRHYSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000086684001 388405938 /nfs/dbraw/zinc/40/59/38/388405938.db2.gz IOLQLVFPGDHEHG-XJKSGUPXSA-N 1 0 249.398 3.571 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000086690557 388407596 /nfs/dbraw/zinc/40/75/96/388407596.db2.gz SXUFJNDILWBWIP-MDZLAQPJSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000086690560 256798081 /nfs/dbraw/zinc/79/80/81/256798081.db2.gz SXUFJNDILWBWIP-NTZNESFSSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccc(C)cc1 ZINC000086695464 135494959 /nfs/dbraw/zinc/49/49/59/135494959.db2.gz TUUNTCZHTBUGOY-HOTGVXAUSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(C)cc1 ZINC000086695467 388106742 /nfs/dbraw/zinc/10/67/42/388106742.db2.gz TUUNTCZHTBUGOY-CVEARBPZSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(C)cc1 ZINC000086695470 535944367 /nfs/dbraw/zinc/94/43/67/535944367.db2.gz TUUNTCZHTBUGOY-JKSUJKDBSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(C)cc1 ZINC000086695473 388107087 /nfs/dbraw/zinc/10/70/87/388107087.db2.gz TUUNTCZHTBUGOY-HZPDHXFCSA-N 1 0 249.398 3.707 20 0 BHADRO CCC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000086696764 388106329 /nfs/dbraw/zinc/10/63/29/388106329.db2.gz MEJFCVUDZJXUIM-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000086696767 135495002 /nfs/dbraw/zinc/49/50/02/135495002.db2.gz MEJFCVUDZJXUIM-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@H]([NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000086696768 388106532 /nfs/dbraw/zinc/10/65/32/388106532.db2.gz MEJFCVUDZJXUIM-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000086696771 388106968 /nfs/dbraw/zinc/10/69/68/388106968.db2.gz MEJFCVUDZJXUIM-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000086696996 256570500 /nfs/dbraw/zinc/57/05/00/256570500.db2.gz OZXOSMIDHVNVNM-HZPDHXFCSA-N 1 0 249.398 3.644 20 0 BHADRO COC[C@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000086697000 256570447 /nfs/dbraw/zinc/57/04/47/256570447.db2.gz OZXOSMIDHVNVNM-JKSUJKDBSA-N 1 0 249.398 3.644 20 0 BHADRO COC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)C(C)C ZINC000086697001 256570794 /nfs/dbraw/zinc/57/07/94/256570794.db2.gz OZXOSMIDHVNVNM-CVEARBPZSA-N 1 0 249.398 3.644 20 0 BHADRO COC[C@H]([NH2+][C@H](c1ccccc1)C(C)C)C(C)C ZINC000086697005 388408677 /nfs/dbraw/zinc/40/86/77/388408677.db2.gz OZXOSMIDHVNVNM-HOTGVXAUSA-N 1 0 249.398 3.644 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(C)C ZINC000086697309 388409413 /nfs/dbraw/zinc/40/94/13/388409413.db2.gz OGKWMYQXLQGQJH-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(C)C ZINC000086697310 388409182 /nfs/dbraw/zinc/40/91/82/388409182.db2.gz OGKWMYQXLQGQJH-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(C)C ZINC000086697313 256798084 /nfs/dbraw/zinc/79/80/84/256798084.db2.gz OGKWMYQXLQGQJH-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(C)C ZINC000086697316 388409607 /nfs/dbraw/zinc/40/96/07/388409607.db2.gz OGKWMYQXLQGQJH-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC000086697317 384890720 /nfs/dbraw/zinc/89/07/20/384890720.db2.gz ZTWSGNLVRQJURF-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC000086697321 322869054 /nfs/dbraw/zinc/86/90/54/322869054.db2.gz ZTWSGNLVRQJURF-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC000086697325 322869046 /nfs/dbraw/zinc/86/90/46/322869046.db2.gz ZTWSGNLVRQJURF-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC000086697328 322869072 /nfs/dbraw/zinc/86/90/72/322869072.db2.gz ZTWSGNLVRQJURF-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000086697389 256570368 /nfs/dbraw/zinc/57/03/68/256570368.db2.gz HXTNYRGVWOMOCE-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000086697392 388409317 /nfs/dbraw/zinc/40/93/17/388409317.db2.gz HXTNYRGVWOMOCE-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000086697395 256798136 /nfs/dbraw/zinc/79/81/36/256798136.db2.gz HXTNYRGVWOMOCE-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000086697400 388409778 /nfs/dbraw/zinc/40/97/78/388409778.db2.gz HXTNYRGVWOMOCE-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)CC(C)C ZINC000086762857 385045508 /nfs/dbraw/zinc/04/55/08/385045508.db2.gz JORFLRIAETWOGK-AWEZNQCLSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)CC(C)C ZINC000086762859 385043389 /nfs/dbraw/zinc/04/33/89/385043389.db2.gz JORFLRIAETWOGK-CQSZACIVSA-N 1 0 219.372 3.562 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1ccccc1C ZINC000086762882 388434079 /nfs/dbraw/zinc/43/40/79/388434079.db2.gz RZYWBPYONFMDTJ-CQSZACIVSA-N 1 0 219.372 3.706 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1ccccc1C ZINC000086762884 388434140 /nfs/dbraw/zinc/43/41/40/388434140.db2.gz RZYWBPYONFMDTJ-AWEZNQCLSA-N 1 0 219.372 3.706 20 0 BHADRO CC[C@H]([NH2+]CCc1ccccc1C)C(C)C ZINC000086762886 256798611 /nfs/dbraw/zinc/79/86/11/256798611.db2.gz NEXNIBIRVPXPFV-HNNXBMFYSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccccc1C)C(C)C ZINC000086762889 388435438 /nfs/dbraw/zinc/43/54/38/388435438.db2.gz NEXNIBIRVPXPFV-OAHLLOKOSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1C ZINC000086762890 388435528 /nfs/dbraw/zinc/43/55/28/388435528.db2.gz HRQWYUJUWKUAIC-TZMCWYRMSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1C ZINC000086762892 388435392 /nfs/dbraw/zinc/43/53/92/388435392.db2.gz HRQWYUJUWKUAIC-GXTWGEPZSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1C ZINC000086762893 388435571 /nfs/dbraw/zinc/43/55/71/388435571.db2.gz HRQWYUJUWKUAIC-OCCSQVGLSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccccc1C ZINC000086762895 256798604 /nfs/dbraw/zinc/79/86/04/256798604.db2.gz HRQWYUJUWKUAIC-JSGCOSHPSA-N 1 0 219.372 3.562 20 0 BHADRO Clc1ncc(C[NH+]2CCCCCCC2)s1 ZINC000086776418 385043469 /nfs/dbraw/zinc/04/34/69/385043469.db2.gz DLCMWEXFMUNJQL-UHFFFAOYSA-N 1 0 244.791 3.563 20 0 BHADRO CC[N@H+](Cc1cnc(Cl)s1)C1CCCC1 ZINC000086776480 343628610 /nfs/dbraw/zinc/62/86/10/343628610.db2.gz WHPKPCJCHZEUNT-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CCCC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC000086776630 384684239 /nfs/dbraw/zinc/68/42/39/384684239.db2.gz OORRGKYOYQQSRJ-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC(C)C[N@H+](Cc1cnc(Cl)s1)C(C)C ZINC000086776730 344222568 /nfs/dbraw/zinc/22/25/68/344222568.db2.gz XZUPSCFVWCOMQZ-UHFFFAOYSA-N 1 0 246.807 3.663 20 0 BHADRO C[C@H]([N@H+](C)Cc1cnc(Cl)s1)C(C)(C)C ZINC000086776753 643638701 /nfs/dbraw/zinc/63/87/01/643638701.db2.gz UBAYAGQNWQCXNS-QMMMGPOBSA-N 1 0 246.807 3.663 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cnc(Cl)s1)C(C)(C)C ZINC000086776755 643639536 /nfs/dbraw/zinc/63/95/36/643639536.db2.gz UBAYAGQNWQCXNS-MRVPVSSYSA-N 1 0 246.807 3.663 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086776939 644178789 /nfs/dbraw/zinc/17/87/89/644178789.db2.gz ZYAWXDGXHYOPIL-SECBINFHSA-N 1 0 244.791 3.561 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086776941 644178934 /nfs/dbraw/zinc/17/89/34/644178934.db2.gz ZYAWXDGXHYOPIL-VIFPVBQESA-N 1 0 244.791 3.561 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cnc(Cl)s1 ZINC000086777009 644178969 /nfs/dbraw/zinc/17/89/69/644178969.db2.gz WSFSVCUYFDCDTJ-SECBINFHSA-N 1 0 246.807 3.665 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cnc(Cl)s1 ZINC000086777011 644178830 /nfs/dbraw/zinc/17/88/30/644178830.db2.gz WSFSVCUYFDCDTJ-VIFPVBQESA-N 1 0 246.807 3.665 20 0 BHADRO Cc1cscc1C[NH2+]C1CCCCCC1 ZINC000086815547 388512715 /nfs/dbraw/zinc/51/27/15/388512715.db2.gz ONBJDBQCRQINIY-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC2(C)C)s1 ZINC000086831060 388512385 /nfs/dbraw/zinc/51/23/85/388512385.db2.gz YNXSILODJYLMBV-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC2(C)C)s1 ZINC000086831061 388512117 /nfs/dbraw/zinc/51/21/17/388512117.db2.gz YNXSILODJYLMBV-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCC1(C)C ZINC000086831064 388512567 /nfs/dbraw/zinc/51/25/67/388512567.db2.gz SCHRNJHEMCLCMT-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCC1(C)C ZINC000086831065 388512127 /nfs/dbraw/zinc/51/21/27/388512127.db2.gz SCHRNJHEMCLCMT-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000086831128 388512183 /nfs/dbraw/zinc/51/21/83/388512183.db2.gz HMCSWFCKZGGHFZ-JTQLQIEISA-N 1 0 227.735 3.601 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000086831129 388512493 /nfs/dbraw/zinc/51/24/93/388512493.db2.gz HMCSWFCKZGGHFZ-SNVBAGLBSA-N 1 0 227.735 3.601 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000086831136 385052879 /nfs/dbraw/zinc/05/28/79/385052879.db2.gz FWPYAMAUYBPOSC-CQSZACIVSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCCC1(C)C ZINC000086831137 256570404 /nfs/dbraw/zinc/57/04/04/256570404.db2.gz FWPYAMAUYBPOSC-AWEZNQCLSA-N 1 0 217.356 3.663 20 0 BHADRO Clc1cnccc1NCC(C1CC1)C1CC1 ZINC000086831358 385051615 /nfs/dbraw/zinc/05/16/15/385051615.db2.gz KHLZEPVNNKCOSJ-UHFFFAOYSA-N 1 0 236.746 3.583 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000086842563 322868981 /nfs/dbraw/zinc/86/89/81/322868981.db2.gz YNDGUXLHMLTJCF-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000086842566 384891363 /nfs/dbraw/zinc/89/13/63/384891363.db2.gz YNDGUXLHMLTJCF-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000086842677 388512820 /nfs/dbraw/zinc/51/28/20/388512820.db2.gz YHXPRBZBNAMFLL-LBPRGKRZSA-N 1 0 223.385 3.807 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000086842680 388512782 /nfs/dbraw/zinc/51/27/82/388512782.db2.gz YHXPRBZBNAMFLL-GFCCVEGCSA-N 1 0 223.385 3.807 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccco1 ZINC000086843003 256800172 /nfs/dbraw/zinc/80/01/72/256800172.db2.gz XPCFHEPTGPGYOZ-WCQYABFASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccco1 ZINC000086843006 388512293 /nfs/dbraw/zinc/51/22/93/388512293.db2.gz XPCFHEPTGPGYOZ-DGCLKSJQSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1ccco1 ZINC000086843009 388512696 /nfs/dbraw/zinc/51/26/96/388512696.db2.gz XPCFHEPTGPGYOZ-AAEUAGOBSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1ccco1 ZINC000086843012 388512828 /nfs/dbraw/zinc/51/28/28/388512828.db2.gz XPCFHEPTGPGYOZ-YPMHNXCESA-N 1 0 221.344 3.899 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCCC2(C)C)n1 ZINC000086844233 135098439 /nfs/dbraw/zinc/09/84/39/135098439.db2.gz LNHNYACIWAWHRN-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCCC2(C)C)n1 ZINC000086844236 135098533 /nfs/dbraw/zinc/09/85/33/135098533.db2.gz LNHNYACIWAWHRN-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCCC2(C)C)s1 ZINC000086844355 388109373 /nfs/dbraw/zinc/10/93/73/388109373.db2.gz DYTMACBVMWRXLS-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCCC2(C)C)s1 ZINC000086844358 388109664 /nfs/dbraw/zinc/10/96/64/388109664.db2.gz DYTMACBVMWRXLS-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCCC2(C)C)cs1 ZINC000086844361 388109330 /nfs/dbraw/zinc/10/93/30/388109330.db2.gz BLIZQFNZMXSJSD-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCCC2(C)C)cs1 ZINC000086844362 388109250 /nfs/dbraw/zinc/10/92/50/388109250.db2.gz BLIZQFNZMXSJSD-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000086844514 385052145 /nfs/dbraw/zinc/05/21/45/385052145.db2.gz AVGZKKUTGFVNEE-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000086844516 322869297 /nfs/dbraw/zinc/86/92/97/322869297.db2.gz AVGZKKUTGFVNEE-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000086845057 385050655 /nfs/dbraw/zinc/05/06/55/385050655.db2.gz OVPSILOLONEQAR-CYBMUJFWSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000086845060 385238905 /nfs/dbraw/zinc/23/89/05/385238905.db2.gz OVPSILOLONEQAR-ZDUSSCGKSA-N 1 0 221.344 3.646 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000086845274 385238155 /nfs/dbraw/zinc/23/81/55/385238155.db2.gz HMQYCNYIKGVPRE-LBPRGKRZSA-N 1 0 223.385 3.807 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000086845277 256604398 /nfs/dbraw/zinc/60/43/98/256604398.db2.gz HMQYCNYIKGVPRE-GFCCVEGCSA-N 1 0 223.385 3.807 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000086845298 388109294 /nfs/dbraw/zinc/10/92/94/388109294.db2.gz PRMFPQXXRZKGTK-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@H]1CCCCC1(C)C ZINC000086845300 388109400 /nfs/dbraw/zinc/10/94/00/388109400.db2.gz PRMFPQXXRZKGTK-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCCC1(C)C ZINC000086845459 256604490 /nfs/dbraw/zinc/60/44/90/256604490.db2.gz PBDCTCJVRUZFBR-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCCC1(C)C ZINC000086845464 385237464 /nfs/dbraw/zinc/23/74/64/385237464.db2.gz PBDCTCJVRUZFBR-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCCC1(C)C ZINC000086845467 385239249 /nfs/dbraw/zinc/23/92/49/385239249.db2.gz PBDCTCJVRUZFBR-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCCC1(C)C ZINC000086845470 385239338 /nfs/dbraw/zinc/23/93/38/385239338.db2.gz PBDCTCJVRUZFBR-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1nccs1 ZINC000086845617 135097306 /nfs/dbraw/zinc/09/73/06/135097306.db2.gz RYOIHQFNZWYSNJ-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1nccs1 ZINC000086845619 135097415 /nfs/dbraw/zinc/09/74/15/135097415.db2.gz RYOIHQFNZWYSNJ-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1nccs1 ZINC000086845622 135097978 /nfs/dbraw/zinc/09/79/78/135097978.db2.gz RYOIHQFNZWYSNJ-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1nccs1 ZINC000086845626 135097787 /nfs/dbraw/zinc/09/77/87/135097787.db2.gz RYOIHQFNZWYSNJ-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000086845895 322869475 /nfs/dbraw/zinc/86/94/75/322869475.db2.gz BJUMKWPFFSBYRM-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000086845898 384895045 /nfs/dbraw/zinc/89/50/45/384895045.db2.gz BJUMKWPFFSBYRM-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000086845902 384896476 /nfs/dbraw/zinc/89/64/76/384896476.db2.gz BJUMKWPFFSBYRM-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000086845903 322869340 /nfs/dbraw/zinc/86/93/40/322869340.db2.gz BJUMKWPFFSBYRM-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000086855623 256624690 /nfs/dbraw/zinc/62/46/90/256624690.db2.gz GRGQEBIBJSVFCK-GXTWGEPZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000086855624 386585953 /nfs/dbraw/zinc/58/59/53/386585953.db2.gz GRGQEBIBJSVFCK-TZMCWYRMSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000086855625 256624510 /nfs/dbraw/zinc/62/45/10/256624510.db2.gz GRGQEBIBJSVFCK-JSGCOSHPSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000086855626 386587684 /nfs/dbraw/zinc/58/76/84/386587684.db2.gz GRGQEBIBJSVFCK-OCCSQVGLSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccs1 ZINC000086855999 386588239 /nfs/dbraw/zinc/58/82/39/386588239.db2.gz AXTGYOXLASXKBC-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cccs1 ZINC000086856000 386587017 /nfs/dbraw/zinc/58/70/17/386587017.db2.gz AXTGYOXLASXKBC-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cccs1 ZINC000086856001 256624414 /nfs/dbraw/zinc/62/44/14/256624414.db2.gz AXTGYOXLASXKBC-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cccs1 ZINC000086856002 386588224 /nfs/dbraw/zinc/58/82/24/386588224.db2.gz AXTGYOXLASXKBC-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccco1 ZINC000086856267 384705136 /nfs/dbraw/zinc/70/51/36/384705136.db2.gz NSOXSRZVFXORIB-CMPLNLGQSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccco1 ZINC000086856268 384704128 /nfs/dbraw/zinc/70/41/28/384704128.db2.gz NSOXSRZVFXORIB-ZYHUDNBSSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccco1 ZINC000086856269 384705330 /nfs/dbraw/zinc/70/53/30/384705330.db2.gz NSOXSRZVFXORIB-JQWIXIFHSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccco1 ZINC000086856270 385750655 /nfs/dbraw/zinc/75/06/55/385750655.db2.gz NSOXSRZVFXORIB-PWSUYJOCSA-N 1 0 207.317 3.509 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)o1 ZINC000086856437 385054595 /nfs/dbraw/zinc/05/45/95/385054595.db2.gz UVDRJHQZEFAROQ-DGCLKSJQSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)o1 ZINC000086856438 385054311 /nfs/dbraw/zinc/05/43/11/385054311.db2.gz UVDRJHQZEFAROQ-WCQYABFASA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)o1 ZINC000086856439 385055458 /nfs/dbraw/zinc/05/54/58/385055458.db2.gz UVDRJHQZEFAROQ-YPMHNXCESA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)o1 ZINC000086856440 385054577 /nfs/dbraw/zinc/05/45/77/385054577.db2.gz UVDRJHQZEFAROQ-AAEUAGOBSA-N 1 0 221.344 3.817 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC1(C)C ZINC000086856473 583115237 /nfs/dbraw/zinc/11/52/37/583115237.db2.gz KKWPEILHNCXYKZ-WCQYABFASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC1(C)C ZINC000086856474 583115019 /nfs/dbraw/zinc/11/50/19/583115019.db2.gz KKWPEILHNCXYKZ-DGCLKSJQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCC1(C)C ZINC000086856475 583115184 /nfs/dbraw/zinc/11/51/84/583115184.db2.gz KKWPEILHNCXYKZ-AAEUAGOBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC1(C)C ZINC000086856476 583115274 /nfs/dbraw/zinc/11/52/74/583115274.db2.gz KKWPEILHNCXYKZ-YPMHNXCESA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCC1(C)C ZINC000086856989 385054161 /nfs/dbraw/zinc/05/41/61/385054161.db2.gz DGFMJVWRUFGXTL-WCQYABFASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC1(C)C ZINC000086856990 322962871 /nfs/dbraw/zinc/96/28/71/322962871.db2.gz DGFMJVWRUFGXTL-DGCLKSJQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCC1(C)C ZINC000086856991 322869466 /nfs/dbraw/zinc/86/94/66/322869466.db2.gz DGFMJVWRUFGXTL-AAEUAGOBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC1(C)C ZINC000086856992 322869355 /nfs/dbraw/zinc/86/93/55/322869355.db2.gz DGFMJVWRUFGXTL-YPMHNXCESA-N 1 0 237.412 3.847 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000086857179 384705248 /nfs/dbraw/zinc/70/52/48/384705248.db2.gz NMFHDYQXALXTKL-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000086857180 386587880 /nfs/dbraw/zinc/58/78/80/386587880.db2.gz NMFHDYQXALXTKL-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000086857181 386588052 /nfs/dbraw/zinc/58/80/52/386588052.db2.gz NMFHDYQXALXTKL-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000086857182 386588484 /nfs/dbraw/zinc/58/84/84/386588484.db2.gz NMFHDYQXALXTKL-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccsc1 ZINC000086857363 386587435 /nfs/dbraw/zinc/58/74/35/386587435.db2.gz OLWAUHYUDHQCDB-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccsc1 ZINC000086857364 386587838 /nfs/dbraw/zinc/58/78/38/386587838.db2.gz OLWAUHYUDHQCDB-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccsc1 ZINC000086857365 256624503 /nfs/dbraw/zinc/62/45/03/256624503.db2.gz OLWAUHYUDHQCDB-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccsc1 ZINC000086857366 386588061 /nfs/dbraw/zinc/58/80/61/386588061.db2.gz OLWAUHYUDHQCDB-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C1CCCC1 ZINC000086857541 386588442 /nfs/dbraw/zinc/58/84/42/386588442.db2.gz GMRXWYAKBDGHLI-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1CCCC1 ZINC000086857542 386588200 /nfs/dbraw/zinc/58/82/00/386588200.db2.gz GMRXWYAKBDGHLI-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C1CCCC1 ZINC000086857543 256624592 /nfs/dbraw/zinc/62/45/92/256624592.db2.gz GMRXWYAKBDGHLI-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C1CCCC1 ZINC000086857544 386588134 /nfs/dbraw/zinc/58/81/34/386588134.db2.gz GMRXWYAKBDGHLI-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000086857583 491064441 /nfs/dbraw/zinc/06/44/41/491064441.db2.gz BHBSJIINJMCTIP-GHMZBOCLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000086857584 491064426 /nfs/dbraw/zinc/06/44/26/491064426.db2.gz BHBSJIINJMCTIP-WDEREUQCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)n1 ZINC000086857585 491064451 /nfs/dbraw/zinc/06/44/51/491064451.db2.gz BHBSJIINJMCTIP-MNOVXSKESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCCC2(C)C)n1 ZINC000086857586 491064502 /nfs/dbraw/zinc/06/45/02/491064502.db2.gz BHBSJIINJMCTIP-QWRGUYRKSA-N 1 0 238.400 3.681 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000086865346 322962977 /nfs/dbraw/zinc/96/29/77/322962977.db2.gz ODZGGXZZCMTULD-AWEZNQCLSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000086865347 322962983 /nfs/dbraw/zinc/96/29/83/322962983.db2.gz ODZGGXZZCMTULD-CQSZACIVSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086871077 388109386 /nfs/dbraw/zinc/10/93/86/388109386.db2.gz HOWGWCNNABSBLW-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086871078 388109199 /nfs/dbraw/zinc/10/91/99/388109199.db2.gz HOWGWCNNABSBLW-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086871080 388109521 /nfs/dbraw/zinc/10/95/21/388109521.db2.gz HOWGWCNNABSBLW-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086871083 388109185 /nfs/dbraw/zinc/10/91/85/388109185.db2.gz HOWGWCNNABSBLW-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(C)cc1 ZINC000086871651 385057737 /nfs/dbraw/zinc/05/77/37/385057737.db2.gz PPOGDNRVTJOZHC-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(C)cc1 ZINC000086871653 344224251 /nfs/dbraw/zinc/22/42/51/344224251.db2.gz PPOGDNRVTJOZHC-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(C)cc1 ZINC000086871656 171547385 /nfs/dbraw/zinc/54/73/85/171547385.db2.gz PPOGDNRVTJOZHC-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(C)cc1 ZINC000086871659 344224226 /nfs/dbraw/zinc/22/42/26/344224226.db2.gz PPOGDNRVTJOZHC-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086871839 385057291 /nfs/dbraw/zinc/05/72/91/385057291.db2.gz SOMMXBYMKHIAHP-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086871842 169403457 /nfs/dbraw/zinc/40/34/57/169403457.db2.gz SOMMXBYMKHIAHP-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086871846 385056894 /nfs/dbraw/zinc/05/68/94/385056894.db2.gz SOMMXBYMKHIAHP-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086871848 385057369 /nfs/dbraw/zinc/05/73/69/385057369.db2.gz SOMMXBYMKHIAHP-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCOCC2)c1 ZINC000086872429 388109508 /nfs/dbraw/zinc/10/95/08/388109508.db2.gz OXIRRAKXEYXBPZ-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCOCC2)c1 ZINC000086872432 388109339 /nfs/dbraw/zinc/10/93/39/388109339.db2.gz OXIRRAKXEYXBPZ-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCOCC2)c1 ZINC000086872435 388109384 /nfs/dbraw/zinc/10/93/84/388109384.db2.gz OXIRRAKXEYXBPZ-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCOCC2)c1 ZINC000086872438 388109190 /nfs/dbraw/zinc/10/91/90/388109190.db2.gz OXIRRAKXEYXBPZ-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cs1 ZINC000086872761 135498093 /nfs/dbraw/zinc/49/80/93/135498093.db2.gz WLERFAKQFBKOIE-BXKDBHETSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)cs1 ZINC000086872764 388109325 /nfs/dbraw/zinc/10/93/25/388109325.db2.gz WLERFAKQFBKOIE-JOYOIKCWSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cs1 ZINC000086872766 388109138 /nfs/dbraw/zinc/10/91/38/388109138.db2.gz WLERFAKQFBKOIE-SKDRFNHKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCCC2(C)C)cs1 ZINC000086872769 388109499 /nfs/dbraw/zinc/10/94/99/388109499.db2.gz WLERFAKQFBKOIE-CABZTGNLSA-N 1 0 238.400 3.681 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC2(C)C)o1 ZINC000086873140 385057465 /nfs/dbraw/zinc/05/74/65/385057465.db2.gz DQBPIHVMWYJMJJ-CYBMUJFWSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC2(C)C)o1 ZINC000086873143 256604017 /nfs/dbraw/zinc/60/40/17/256604017.db2.gz DQBPIHVMWYJMJJ-ZDUSSCGKSA-N 1 0 221.344 3.510 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)c(C)c1 ZINC000086873487 385056814 /nfs/dbraw/zinc/05/68/14/385056814.db2.gz XJBMKLASWNABTB-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)c(C)c1 ZINC000086873491 385057764 /nfs/dbraw/zinc/05/77/64/385057764.db2.gz XJBMKLASWNABTB-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)c(C)c1 ZINC000086873495 385056688 /nfs/dbraw/zinc/05/66/88/385056688.db2.gz XJBMKLASWNABTB-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)c(C)c1 ZINC000086873498 385057725 /nfs/dbraw/zinc/05/77/25/385057725.db2.gz XJBMKLASWNABTB-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCCC1(C)C)C1CC1 ZINC000086873819 385203176 /nfs/dbraw/zinc/20/31/76/385203176.db2.gz WDGMEWLBGUKWEH-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C1CC1 ZINC000086873821 385205267 /nfs/dbraw/zinc/20/52/67/385205267.db2.gz WDGMEWLBGUKWEH-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCCC1(C)C)C1CC1 ZINC000086873825 385203690 /nfs/dbraw/zinc/20/36/90/385203690.db2.gz WDGMEWLBGUKWEH-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCCC1(C)C)C1CC1 ZINC000086873827 256604024 /nfs/dbraw/zinc/60/40/24/256604024.db2.gz WDGMEWLBGUKWEH-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000086874030 259367679 /nfs/dbraw/zinc/36/76/79/259367679.db2.gz WZDHCAXLGWSBLP-NSHDSACASA-N 1 0 241.762 3.991 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000086874214 262725882 /nfs/dbraw/zinc/72/58/82/262725882.db2.gz NXLOBUJSNAOORA-SHARSMKWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000086874217 385205313 /nfs/dbraw/zinc/20/53/13/385205313.db2.gz NXLOBUJSNAOORA-SLTAFYQDSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000086874454 385057851 /nfs/dbraw/zinc/05/78/51/385057851.db2.gz DOVCXDQFXRQFCB-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000086874458 385057892 /nfs/dbraw/zinc/05/78/92/385057892.db2.gz DOVCXDQFXRQFCB-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000086874460 385057909 /nfs/dbraw/zinc/05/79/09/385057909.db2.gz DOVCXDQFXRQFCB-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000086874462 385057657 /nfs/dbraw/zinc/05/76/57/385057657.db2.gz DOVCXDQFXRQFCB-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000086875030 644243018 /nfs/dbraw/zinc/24/30/18/644243018.db2.gz GAGDPTWVLTUWQM-RNKPRXRFSA-N 1 0 236.186 3.864 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000086875032 644243725 /nfs/dbraw/zinc/24/37/25/644243725.db2.gz GAGDPTWVLTUWQM-UJICNMFASA-N 1 0 236.186 3.864 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccncc1 ZINC000086879505 385057513 /nfs/dbraw/zinc/05/75/13/385057513.db2.gz DSGJMPBPWNCERX-IPYPFGDCSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccncc1 ZINC000086879513 385057627 /nfs/dbraw/zinc/05/76/27/385057627.db2.gz DSGJMPBPWNCERX-VNHYZAJKSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccccn1 ZINC000086879614 487578351 /nfs/dbraw/zinc/57/83/51/487578351.db2.gz DPIUGGFGFRRQEU-RDBSUJKOSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)c1ccccn1 ZINC000086879616 487578198 /nfs/dbraw/zinc/57/81/98/487578198.db2.gz DPIUGGFGFRRQEU-IHRRRGAJSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccccn1 ZINC000086879619 487578369 /nfs/dbraw/zinc/57/83/69/487578369.db2.gz DPIUGGFGFRRQEU-HZSPNIEDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)c1ccccn1 ZINC000086879622 487577903 /nfs/dbraw/zinc/57/79/03/487577903.db2.gz DPIUGGFGFRRQEU-MELADBBJSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cccnc1 ZINC000086879783 176922130 /nfs/dbraw/zinc/92/21/30/176922130.db2.gz CDYRGJYSARXMAB-IPYPFGDCSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)c1cccnc1 ZINC000086879786 487578230 /nfs/dbraw/zinc/57/82/30/487578230.db2.gz CDYRGJYSARXMAB-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cccnc1 ZINC000086879790 385056946 /nfs/dbraw/zinc/05/69/46/385056946.db2.gz CDYRGJYSARXMAB-VNHYZAJKSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)c1cccnc1 ZINC000086879792 487578010 /nfs/dbraw/zinc/57/80/10/487578010.db2.gz CDYRGJYSARXMAB-KCQAQPDRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893751 487580668 /nfs/dbraw/zinc/58/06/68/487580668.db2.gz IHKIVGNIDZAROT-CABCVRRESA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893752 487580311 /nfs/dbraw/zinc/58/03/11/487580311.db2.gz IHKIVGNIDZAROT-GJZGRUSLSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893753 487580550 /nfs/dbraw/zinc/58/05/50/487580550.db2.gz IHKIVGNIDZAROT-HUUCEWRRSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893754 487580800 /nfs/dbraw/zinc/58/08/00/487580800.db2.gz IHKIVGNIDZAROT-LSDHHAIUSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893755 487580523 /nfs/dbraw/zinc/58/05/23/487580523.db2.gz HSQAROFOMSMOQE-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086893756 487580871 /nfs/dbraw/zinc/58/08/71/487580871.db2.gz HSQAROFOMSMOQE-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895056 487580573 /nfs/dbraw/zinc/58/05/73/487580573.db2.gz QZTDORBSZZXMES-HIFRSBDPSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895058 487580516 /nfs/dbraw/zinc/58/05/16/487580516.db2.gz QZTDORBSZZXMES-ZFWWWQNUSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895061 487580925 /nfs/dbraw/zinc/58/09/25/487580925.db2.gz QZTDORBSZZXMES-UKRRQHHQSA-N 1 0 232.371 3.530 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895063 487580879 /nfs/dbraw/zinc/58/08/79/487580879.db2.gz QZTDORBSZZXMES-DZGCQCFKSA-N 1 0 232.371 3.530 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895064 368886753 /nfs/dbraw/zinc/88/67/53/368886753.db2.gz JQSARWBDMPEQJP-AWEZNQCLSA-N 1 0 232.371 3.530 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000086895067 368886393 /nfs/dbraw/zinc/88/63/93/368886393.db2.gz JQSARWBDMPEQJP-CQSZACIVSA-N 1 0 232.371 3.530 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C2CCCC2)c1 ZINC000086896482 491065096 /nfs/dbraw/zinc/06/50/96/491065096.db2.gz DGAKGZYKEWOAFC-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CCC(CC)[NH2+]Cc1ccccc1C1CC1 ZINC000086896484 491064992 /nfs/dbraw/zinc/06/49/92/491064992.db2.gz XIJWVLFBLYJBPJ-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CC(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC000086896491 491065063 /nfs/dbraw/zinc/06/50/63/491065063.db2.gz LECCGPHOSIMJHS-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccccc1C1CC1 ZINC000086896544 491065045 /nfs/dbraw/zinc/06/50/45/491065045.db2.gz IBLVSYZYILIEPJ-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904549 644472862 /nfs/dbraw/zinc/47/28/62/644472862.db2.gz KYXODLWTVHSLPK-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904552 644473817 /nfs/dbraw/zinc/47/38/17/644473817.db2.gz KYXODLWTVHSLPK-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904555 631473890 /nfs/dbraw/zinc/47/38/90/631473890.db2.gz KYXODLWTVHSLPK-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904563 644473633 /nfs/dbraw/zinc/47/36/33/644473633.db2.gz KYXODLWTVHSLPK-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904566 368886544 /nfs/dbraw/zinc/88/65/44/368886544.db2.gz ASRXLNKSMQSMKJ-HNNXBMFYSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086904569 368886345 /nfs/dbraw/zinc/88/63/45/368886345.db2.gz ASRXLNKSMQSMKJ-OAHLLOKOSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904589 644473705 /nfs/dbraw/zinc/47/37/05/644473705.db2.gz UQRHOSJHJPOQRQ-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904592 644473027 /nfs/dbraw/zinc/47/30/27/644473027.db2.gz UQRHOSJHJPOQRQ-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904593 644473459 /nfs/dbraw/zinc/47/34/59/644473459.db2.gz UQRHOSJHJPOQRQ-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904597 644473736 /nfs/dbraw/zinc/47/37/36/644473736.db2.gz UQRHOSJHJPOQRQ-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904599 368886861 /nfs/dbraw/zinc/88/68/61/368886861.db2.gz WMFOTRFVHLTPBL-HNNXBMFYSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086904602 368886367 /nfs/dbraw/zinc/88/63/67/368886367.db2.gz WMFOTRFVHLTPBL-OAHLLOKOSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000086922738 386949469 /nfs/dbraw/zinc/94/94/69/386949469.db2.gz HRZQBXPBCOFCCR-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000086922739 386949302 /nfs/dbraw/zinc/94/93/02/386949302.db2.gz HRZQBXPBCOFCCR-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000086922740 386949357 /nfs/dbraw/zinc/94/93/57/386949357.db2.gz HRZQBXPBCOFCCR-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000086922741 256680084 /nfs/dbraw/zinc/68/00/84/256680084.db2.gz HRZQBXPBCOFCCR-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000086923256 386949244 /nfs/dbraw/zinc/94/92/44/386949244.db2.gz OBTISFOQSSBSLO-CVEARBPZSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000086923257 386949958 /nfs/dbraw/zinc/94/99/58/386949958.db2.gz OBTISFOQSSBSLO-HOTGVXAUSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2)CC1 ZINC000086923258 256680134 /nfs/dbraw/zinc/68/01/34/256680134.db2.gz OBTISFOQSSBSLO-HZPDHXFCSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2)CC1 ZINC000086923259 386949447 /nfs/dbraw/zinc/94/94/47/386949447.db2.gz OBTISFOQSSBSLO-JKSUJKDBSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000086923264 256680116 /nfs/dbraw/zinc/68/01/16/256680116.db2.gz ZSOPQSHOQABHRZ-CVEARBPZSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000086923265 386949542 /nfs/dbraw/zinc/94/95/42/386949542.db2.gz ZSOPQSHOQABHRZ-HOTGVXAUSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000086923266 386948744 /nfs/dbraw/zinc/94/87/44/386948744.db2.gz ZSOPQSHOQABHRZ-HZPDHXFCSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000086923267 256680094 /nfs/dbraw/zinc/68/00/94/256680094.db2.gz ZSOPQSHOQABHRZ-JKSUJKDBSA-N 1 0 246.398 3.776 20 0 BHADRO CCCCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927033 644282672 /nfs/dbraw/zinc/28/26/72/644282672.db2.gz DIJFHCHARZHKIT-GFCCVEGCSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927035 644283274 /nfs/dbraw/zinc/28/32/74/644283274.db2.gz DIJFHCHARZHKIT-LBPRGKRZSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927336 259341855 /nfs/dbraw/zinc/34/18/55/259341855.db2.gz BGDVUNWRQHQDGD-VXGBXAGGSA-N 1 0 227.392 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927337 259341503 /nfs/dbraw/zinc/34/15/03/259341503.db2.gz BGDVUNWRQHQDGD-NWDGAFQWSA-N 1 0 227.392 3.501 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927339 259341842 /nfs/dbraw/zinc/34/18/42/259341842.db2.gz BGDVUNWRQHQDGD-NEPJUHHUSA-N 1 0 227.392 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927341 256604362 /nfs/dbraw/zinc/60/43/62/256604362.db2.gz BGDVUNWRQHQDGD-RYUDHWBXSA-N 1 0 227.392 3.501 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927342 385242989 /nfs/dbraw/zinc/24/29/89/385242989.db2.gz HWYSRJJJRYJSOO-VXGBXAGGSA-N 1 0 227.392 3.501 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927344 385242645 /nfs/dbraw/zinc/24/26/45/385242645.db2.gz HWYSRJJJRYJSOO-NWDGAFQWSA-N 1 0 227.392 3.501 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927346 385241710 /nfs/dbraw/zinc/24/17/10/385241710.db2.gz HWYSRJJJRYJSOO-NEPJUHHUSA-N 1 0 227.392 3.501 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927347 259341789 /nfs/dbraw/zinc/34/17/89/259341789.db2.gz HWYSRJJJRYJSOO-RYUDHWBXSA-N 1 0 227.392 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CS1 ZINC000086934164 643643459 /nfs/dbraw/zinc/64/34/59/643643459.db2.gz RRWUFMZVDFAPPT-YPMHNXCESA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CS1 ZINC000086934165 643644260 /nfs/dbraw/zinc/64/42/60/643644260.db2.gz RRWUFMZVDFAPPT-AAEUAGOBSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CS1 ZINC000086934166 643644690 /nfs/dbraw/zinc/64/46/90/643644690.db2.gz RRWUFMZVDFAPPT-DGCLKSJQSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CS1 ZINC000086934167 644295892 /nfs/dbraw/zinc/29/58/92/644295892.db2.gz RRWUFMZVDFAPPT-WCQYABFASA-N 1 0 227.417 3.583 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086934466 487590524 /nfs/dbraw/zinc/59/05/24/487590524.db2.gz MBZACDHFOBFYKI-YNEHKIRRSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086934467 135499856 /nfs/dbraw/zinc/49/98/56/135499856.db2.gz MBZACDHFOBFYKI-RWMBFGLXSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086934468 487591058 /nfs/dbraw/zinc/59/10/58/487591058.db2.gz MBZACDHFOBFYKI-XQQFMLRXSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086934469 135499398 /nfs/dbraw/zinc/49/93/98/135499398.db2.gz MBZACDHFOBFYKI-AVGNSLFASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cc1 ZINC000086935321 259341517 /nfs/dbraw/zinc/34/15/17/259341517.db2.gz TZSKTYJHJOVSTE-SGMGOOAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cc1 ZINC000086935323 259368441 /nfs/dbraw/zinc/36/84/41/259368441.db2.gz TZSKTYJHJOVSTE-OBJOEFQTSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)s1 ZINC000086935571 135104277 /nfs/dbraw/zinc/10/42/77/135104277.db2.gz VLPKYHOKGVRUQU-GARJFASQSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)s1 ZINC000086935573 135104617 /nfs/dbraw/zinc/10/46/17/135104617.db2.gz VLPKYHOKGVRUQU-DCAQKATOSA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1cccs1 ZINC000086935594 535948806 /nfs/dbraw/zinc/94/88/06/535948806.db2.gz VVYGUOPDYLMZRW-AXFHLTTASA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1cccs1 ZINC000086935596 135104394 /nfs/dbraw/zinc/10/43/94/135104394.db2.gz VVYGUOPDYLMZRW-DCAQKATOSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000086935798 388110803 /nfs/dbraw/zinc/11/08/03/388110803.db2.gz MNAITDDVPAZUEH-YUTCNCBUSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000086935800 388111628 /nfs/dbraw/zinc/11/16/28/388111628.db2.gz MNAITDDVPAZUEH-UBHSHLNASA-N 1 0 235.396 3.621 20 0 BHADRO COCCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000086954939 259415567 /nfs/dbraw/zinc/41/55/67/259415567.db2.gz XSMCYKMQGLNYMJ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086954941 385903364 /nfs/dbraw/zinc/90/33/64/385903364.db2.gz XSMCYKMQGLNYMJ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000086954944 385902721 /nfs/dbraw/zinc/90/27/21/385902721.db2.gz XSMCYKMQGLNYMJ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086954946 385902761 /nfs/dbraw/zinc/90/27/61/385902761.db2.gz XSMCYKMQGLNYMJ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000087010608 644463134 /nfs/dbraw/zinc/46/31/34/644463134.db2.gz GIQMQCYRGPYZQL-HNNXBMFYSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000087010610 644461273 /nfs/dbraw/zinc/46/12/73/644461273.db2.gz GIQMQCYRGPYZQL-OAHLLOKOSA-N 1 0 249.398 3.669 20 0 BHADRO c1cc(C[NH2+]C2CCCC2)cc(C2CC2)c1 ZINC000087011704 135105541 /nfs/dbraw/zinc/10/55/41/135105541.db2.gz KMEMIMURDNNDQT-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C1CCCC1 ZINC000087011706 135105503 /nfs/dbraw/zinc/10/55/03/135105503.db2.gz JBUIMISWUHVNNJ-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011710 259341774 /nfs/dbraw/zinc/34/17/74/259341774.db2.gz GGVSVNRYVWNOKM-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011738 387248849 /nfs/dbraw/zinc/24/88/49/387248849.db2.gz RAHLSGUPVCNKHD-GFCCVEGCSA-N 1 0 217.356 3.842 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011740 387247338 /nfs/dbraw/zinc/24/73/38/387247338.db2.gz RAHLSGUPVCNKHD-LBPRGKRZSA-N 1 0 217.356 3.842 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011756 135105512 /nfs/dbraw/zinc/10/55/12/135105512.db2.gz RQZWHDLHZHOWOR-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011793 359893675 /nfs/dbraw/zinc/89/36/75/359893675.db2.gz CZVFAZJCMYXRFL-GFCCVEGCSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011794 135105404 /nfs/dbraw/zinc/10/54/04/135105404.db2.gz CZVFAZJCMYXRFL-LBPRGKRZSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011889 259341823 /nfs/dbraw/zinc/34/18/23/259341823.db2.gz XULZEAGFCKKALN-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000087011917 535858590 /nfs/dbraw/zinc/85/85/90/535858590.db2.gz NIRZLSZQXZFHSZ-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000087011919 359893881 /nfs/dbraw/zinc/89/38/81/359893881.db2.gz NIRZLSZQXZFHSZ-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000087011921 359893337 /nfs/dbraw/zinc/89/33/37/359893337.db2.gz NIRZLSZQXZFHSZ-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000087011923 359893772 /nfs/dbraw/zinc/89/37/72/359893772.db2.gz NIRZLSZQXZFHSZ-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011951 359893365 /nfs/dbraw/zinc/89/33/65/359893365.db2.gz AZCINWITGHPYJI-GFCCVEGCSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011954 359893801 /nfs/dbraw/zinc/89/38/01/359893801.db2.gz AZCINWITGHPYJI-LBPRGKRZSA-N 1 0 217.356 3.700 20 0 BHADRO CCCC[C@H]([NH2+]C[C@](C)(O)CC)c1ccccc1 ZINC000087012876 359893824 /nfs/dbraw/zinc/89/38/24/359893824.db2.gz VCBGYDQPKINYHA-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccccc1 ZINC000087012878 534933689 /nfs/dbraw/zinc/93/36/89/534933689.db2.gz VCBGYDQPKINYHA-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccccc1 ZINC000087012880 359893793 /nfs/dbraw/zinc/89/37/93/359893793.db2.gz VCBGYDQPKINYHA-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccccc1 ZINC000087012881 359893855 /nfs/dbraw/zinc/89/38/55/359893855.db2.gz VCBGYDQPKINYHA-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000087013443 387289187 /nfs/dbraw/zinc/28/91/87/387289187.db2.gz OECVFLPSCLWQRN-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000087013445 387289845 /nfs/dbraw/zinc/28/98/45/387289845.db2.gz OECVFLPSCLWQRN-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000087013447 387289833 /nfs/dbraw/zinc/28/98/33/387289833.db2.gz OECVFLPSCLWQRN-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000087013449 387289500 /nfs/dbraw/zinc/28/95/00/387289500.db2.gz OECVFLPSCLWQRN-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000087014699 387294511 /nfs/dbraw/zinc/29/45/11/387294511.db2.gz NMMNMQGMTIQSLD-AWEZNQCLSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000087014701 387296531 /nfs/dbraw/zinc/29/65/31/387296531.db2.gz NMMNMQGMTIQSLD-CQSZACIVSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(C)cc1 ZINC000087014707 135500866 /nfs/dbraw/zinc/50/08/66/135500866.db2.gz WBMFAFCKFCMKEC-HNNXBMFYSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(C)cc1 ZINC000087014709 535802900 /nfs/dbraw/zinc/80/29/00/535802900.db2.gz WBMFAFCKFCMKEC-OAHLLOKOSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@H]([NH2+]CC(O)(CC)CC)c1ccccc1 ZINC000087015134 359895264 /nfs/dbraw/zinc/89/52/64/359895264.db2.gz JRCASMUSTLJSAV-HNNXBMFYSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+]CC(O)(CC)CC)c1ccccc1 ZINC000087015136 135501517 /nfs/dbraw/zinc/50/15/17/135501517.db2.gz JRCASMUSTLJSAV-OAHLLOKOSA-N 1 0 249.398 3.669 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000087015223 259341731 /nfs/dbraw/zinc/34/17/31/259341731.db2.gz CIOTYBJIHIIURT-OAHLLOKOSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000087015226 259341424 /nfs/dbraw/zinc/34/14/24/259341424.db2.gz CIOTYBJIHIIURT-HNNXBMFYSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000087015307 259341784 /nfs/dbraw/zinc/34/17/84/259341784.db2.gz MQYWVHQTOHQXGO-AWEZNQCLSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000087015309 259341541 /nfs/dbraw/zinc/34/15/41/259341541.db2.gz MQYWVHQTOHQXGO-CQSZACIVSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000087015328 398133685 /nfs/dbraw/zinc/13/36/85/398133685.db2.gz MCDFCNMSDSLMOW-AWEZNQCLSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000087015330 256708878 /nfs/dbraw/zinc/70/88/78/256708878.db2.gz MCDFCNMSDSLMOW-CQSZACIVSA-N 1 0 249.398 3.505 20 0 BHADRO CC(C)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000087015978 135501010 /nfs/dbraw/zinc/50/10/10/135501010.db2.gz RBMJQQFXLSBROD-GFCCVEGCSA-N 1 0 239.746 3.552 20 0 BHADRO CC(C)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000087015980 359894597 /nfs/dbraw/zinc/89/45/97/359894597.db2.gz RBMJQQFXLSBROD-LBPRGKRZSA-N 1 0 239.746 3.552 20 0 BHADRO CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000087016085 535185960 /nfs/dbraw/zinc/18/59/60/535185960.db2.gz ODZRWXNMADEIAP-GFCCVEGCSA-N 1 0 239.746 3.553 20 0 BHADRO CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000087016087 359895177 /nfs/dbraw/zinc/89/51/77/359895177.db2.gz ODZRWXNMADEIAP-LBPRGKRZSA-N 1 0 239.746 3.553 20 0 BHADRO CC[NH2+]Cc1cccc(-c2sccc2C)c1 ZINC000087019039 487599169 /nfs/dbraw/zinc/59/91/69/487599169.db2.gz ISUKMZPQEZCGKT-UHFFFAOYSA-N 1 0 231.364 3.833 20 0 BHADRO Cc1ccsc1C[NH2+]CCC(C)(C)C ZINC000087031486 387347068 /nfs/dbraw/zinc/34/70/68/387347068.db2.gz JGWBAPKQUDEAMO-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC(C)C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000087031495 385066329 /nfs/dbraw/zinc/06/63/29/385066329.db2.gz PWNOBOQBHRSZPD-OAHLLOKOSA-N 1 0 219.372 3.672 20 0 BHADRO CC(C)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000087031496 387347308 /nfs/dbraw/zinc/34/73/08/387347308.db2.gz PWNOBOQBHRSZPD-HNNXBMFYSA-N 1 0 219.372 3.672 20 0 BHADRO C[C@@H]([NH2+]C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000087144544 322892155 /nfs/dbraw/zinc/89/21/55/322892155.db2.gz WHMZRGPRUYMQBH-NXEZZACHSA-N 1 0 223.747 3.584 20 0 BHADRO C[C@@H]([NH2+]C1CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000087144549 385038989 /nfs/dbraw/zinc/03/89/89/385038989.db2.gz WHMZRGPRUYMQBH-VHSXEESVSA-N 1 0 223.747 3.584 20 0 BHADRO C[C@H]([NH2+]C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000087144552 385040102 /nfs/dbraw/zinc/04/01/02/385040102.db2.gz WHMZRGPRUYMQBH-ZJUUUORDSA-N 1 0 223.747 3.584 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC1 ZINC000087144555 322892299 /nfs/dbraw/zinc/89/22/99/322892299.db2.gz WHMZRGPRUYMQBH-UWVGGRQHSA-N 1 0 223.747 3.584 20 0 BHADRO CC(C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000087146165 256526162 /nfs/dbraw/zinc/52/61/62/256526162.db2.gz QHRFYPFDLSAFJB-MNOVXSKESA-N 1 0 225.763 3.830 20 0 BHADRO CC(C)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000087146166 384201789 /nfs/dbraw/zinc/20/17/89/384201789.db2.gz QHRFYPFDLSAFJB-GHMZBOCLSA-N 1 0 225.763 3.830 20 0 BHADRO CC(C)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000087146168 384202565 /nfs/dbraw/zinc/20/25/65/384202565.db2.gz QHRFYPFDLSAFJB-QWRGUYRKSA-N 1 0 225.763 3.830 20 0 BHADRO CC(C)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000087146170 384201571 /nfs/dbraw/zinc/20/15/71/384201571.db2.gz QHRFYPFDLSAFJB-WDEREUQCSA-N 1 0 225.763 3.830 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000087234050 644484389 /nfs/dbraw/zinc/48/43/89/644484389.db2.gz JJISLVSJFTXJCJ-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000087234052 644485301 /nfs/dbraw/zinc/48/53/01/644485301.db2.gz JJISLVSJFTXJCJ-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000087234054 644484737 /nfs/dbraw/zinc/48/47/37/644484737.db2.gz JJISLVSJFTXJCJ-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000087234056 644485122 /nfs/dbraw/zinc/48/51/22/644485122.db2.gz JJISLVSJFTXJCJ-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000087247901 491067016 /nfs/dbraw/zinc/06/70/16/491067016.db2.gz IKIQKCMWQKDXMK-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC000087247902 491067031 /nfs/dbraw/zinc/06/70/31/491067031.db2.gz IKIQKCMWQKDXMK-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000087247903 491067030 /nfs/dbraw/zinc/06/70/30/491067030.db2.gz IKIQKCMWQKDXMK-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC000087247904 491067039 /nfs/dbraw/zinc/06/70/39/491067039.db2.gz IKIQKCMWQKDXMK-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1 ZINC000087282572 256571310 /nfs/dbraw/zinc/57/13/10/256571310.db2.gz ZXVNTPLUPOMOJP-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1 ZINC000087282574 256802330 /nfs/dbraw/zinc/80/23/30/256802330.db2.gz ZXVNTPLUPOMOJP-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282576 388517382 /nfs/dbraw/zinc/51/73/82/388517382.db2.gz KVHXQYQDOOKVCQ-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282578 388516634 /nfs/dbraw/zinc/51/66/34/388516634.db2.gz KVHXQYQDOOKVCQ-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282587 388516664 /nfs/dbraw/zinc/51/66/64/388516664.db2.gz IGDWWHBOSVFJSC-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282589 388517551 /nfs/dbraw/zinc/51/75/51/388517551.db2.gz IGDWWHBOSVFJSC-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282591 491067402 /nfs/dbraw/zinc/06/74/02/491067402.db2.gz NWCZBXGIZWZPLG-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282593 491067398 /nfs/dbraw/zinc/06/73/98/491067398.db2.gz NWCZBXGIZWZPLG-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282595 491067394 /nfs/dbraw/zinc/06/73/94/491067394.db2.gz NWCZBXGIZWZPLG-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282597 491067380 /nfs/dbraw/zinc/06/73/80/491067380.db2.gz NWCZBXGIZWZPLG-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000087282610 385089009 /nfs/dbraw/zinc/08/90/09/385089009.db2.gz OOBXOEUUMYMCGW-JTQLQIEISA-N 1 0 227.298 3.662 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000087282612 385089871 /nfs/dbraw/zinc/08/98/71/385089871.db2.gz OOBXOEUUMYMCGW-SNVBAGLBSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cc(F)cc(F)c1 ZINC000087282703 385088205 /nfs/dbraw/zinc/08/82/05/385088205.db2.gz OQPRGNGWUDSDEM-VIFPVBQESA-N 1 0 227.298 3.662 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc(F)cc(F)c1 ZINC000087282705 256571682 /nfs/dbraw/zinc/57/16/82/256571682.db2.gz OQPRGNGWUDSDEM-SECBINFHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284190 384764268 /nfs/dbraw/zinc/76/42/68/384764268.db2.gz KRTULYKFXLKMNA-MNOVXSKESA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284191 256802340 /nfs/dbraw/zinc/80/23/40/256802340.db2.gz KRTULYKFXLKMNA-QWRGUYRKSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284192 256802195 /nfs/dbraw/zinc/80/21/95/256802195.db2.gz KRTULYKFXLKMNA-GHMZBOCLSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284193 388516955 /nfs/dbraw/zinc/51/69/55/388516955.db2.gz KRTULYKFXLKMNA-WDEREUQCSA-N 1 0 209.308 3.583 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1F ZINC000087284196 385090921 /nfs/dbraw/zinc/09/09/21/385090921.db2.gz ICBJYTGELPIEOU-LLVKDONJSA-N 1 0 221.319 3.727 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCCC2)cc1F ZINC000087284197 385091045 /nfs/dbraw/zinc/09/10/45/385091045.db2.gz ICBJYTGELPIEOU-NSHDSACASA-N 1 0 221.319 3.727 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284198 385089858 /nfs/dbraw/zinc/08/98/58/385089858.db2.gz IIICZWYMYQTWBC-NSHDSACASA-N 1 0 223.335 3.973 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284199 385088336 /nfs/dbraw/zinc/08/83/36/385088336.db2.gz IIICZWYMYQTWBC-LLVKDONJSA-N 1 0 223.335 3.973 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1F ZINC000087284204 388517391 /nfs/dbraw/zinc/51/73/91/388517391.db2.gz CKPISSZBRHRCNS-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1F ZINC000087284205 388517454 /nfs/dbraw/zinc/51/74/54/388517454.db2.gz CKPISSZBRHRCNS-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284208 388516617 /nfs/dbraw/zinc/51/66/17/388516617.db2.gz HXJWHIFVEFUSMF-NEPJUHHUSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284209 388517373 /nfs/dbraw/zinc/51/73/73/388517373.db2.gz HXJWHIFVEFUSMF-RYUDHWBXSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284210 256571606 /nfs/dbraw/zinc/57/16/06/256571606.db2.gz HXJWHIFVEFUSMF-VXGBXAGGSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284211 256571384 /nfs/dbraw/zinc/57/13/84/256571384.db2.gz HXJWHIFVEFUSMF-NWDGAFQWSA-N 1 0 223.335 3.973 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284216 385090311 /nfs/dbraw/zinc/09/03/11/385090311.db2.gz WNXXPPYGLZUYND-NSHDSACASA-N 1 0 209.308 3.585 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284217 256802024 /nfs/dbraw/zinc/80/20/24/256802024.db2.gz WNXXPPYGLZUYND-LLVKDONJSA-N 1 0 209.308 3.585 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1F ZINC000087284218 385089847 /nfs/dbraw/zinc/08/98/47/385089847.db2.gz IFSXTYIQTPDMCB-GFCCVEGCSA-N 1 0 223.335 3.831 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)C)cc1F ZINC000087284219 385089036 /nfs/dbraw/zinc/08/90/36/385089036.db2.gz IFSXTYIQTPDMCB-LBPRGKRZSA-N 1 0 223.335 3.831 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1F ZINC000087284240 256802449 /nfs/dbraw/zinc/80/24/49/256802449.db2.gz SPUIEEWNFKONPA-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)cc1F ZINC000087284241 388517349 /nfs/dbraw/zinc/51/73/49/388517349.db2.gz SPUIEEWNFKONPA-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1F ZINC000087284252 256571314 /nfs/dbraw/zinc/57/13/14/256571314.db2.gz MTKRTMPZPUNKCV-WDEREUQCSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1F ZINC000087284254 256571783 /nfs/dbraw/zinc/57/17/83/256571783.db2.gz MTKRTMPZPUNKCV-GHMZBOCLSA-N 1 0 221.319 3.583 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284292 388517402 /nfs/dbraw/zinc/51/74/02/388517402.db2.gz XRUVIOJPSPDJQI-PWSUYJOCSA-N 1 0 223.335 3.831 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284293 388517553 /nfs/dbraw/zinc/51/75/53/388517553.db2.gz XRUVIOJPSPDJQI-JQWIXIFHSA-N 1 0 223.335 3.831 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284294 388516795 /nfs/dbraw/zinc/51/67/95/388516795.db2.gz XRUVIOJPSPDJQI-ZYHUDNBSSA-N 1 0 223.335 3.831 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284295 256571735 /nfs/dbraw/zinc/57/17/35/256571735.db2.gz XRUVIOJPSPDJQI-CMPLNLGQSA-N 1 0 223.335 3.831 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087284298 135117030 /nfs/dbraw/zinc/11/70/30/135117030.db2.gz XGPXXYXLFWTLPS-LLVKDONJSA-N 1 0 241.375 3.538 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284299 135117162 /nfs/dbraw/zinc/11/71/62/135117162.db2.gz XGPXXYXLFWTLPS-NSHDSACASA-N 1 0 241.375 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1F ZINC000087284316 385090594 /nfs/dbraw/zinc/09/05/94/385090594.db2.gz IEHKHRINLGDQCK-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)cc1F ZINC000087284317 385090814 /nfs/dbraw/zinc/09/08/14/385090814.db2.gz IEHKHRINLGDQCK-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccoc1 ZINC000087289372 322874056 /nfs/dbraw/zinc/87/40/56/322874056.db2.gz YQRBQSRBXPFPML-RYUDHWBXSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000087289373 384928845 /nfs/dbraw/zinc/92/88/45/384928845.db2.gz YQRBQSRBXPFPML-NEPJUHHUSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccoc1 ZINC000087289374 322873888 /nfs/dbraw/zinc/87/38/88/322873888.db2.gz YQRBQSRBXPFPML-NWDGAFQWSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccoc1 ZINC000087289375 322874023 /nfs/dbraw/zinc/87/40/23/322874023.db2.gz YQRBQSRBXPFPML-VXGBXAGGSA-N 1 0 215.296 3.691 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccoc1 ZINC000087289494 384923551 /nfs/dbraw/zinc/92/35/51/384923551.db2.gz YMIGSANKUZQVLQ-MDZLAQPJSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccoc1 ZINC000087289495 384925406 /nfs/dbraw/zinc/92/54/06/384925406.db2.gz YMIGSANKUZQVLQ-GVXVVHGQSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccoc1 ZINC000087289496 384925870 /nfs/dbraw/zinc/92/58/70/384925870.db2.gz YMIGSANKUZQVLQ-NTZNESFSSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccoc1 ZINC000087289497 384923661 /nfs/dbraw/zinc/92/36/61/384923661.db2.gz YMIGSANKUZQVLQ-GMXVVIOVSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccoc1 ZINC000087289540 385089143 /nfs/dbraw/zinc/08/91/43/385089143.db2.gz SGXILNDRBLAIOA-NRWUCQMLSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccoc1 ZINC000087289541 322874618 /nfs/dbraw/zinc/87/46/18/322874618.db2.gz SGXILNDRBLAIOA-KZVDOYCCSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccoc1 ZINC000087289560 385089244 /nfs/dbraw/zinc/08/92/44/385089244.db2.gz IUPREVDEUFMCNP-LBPRGKRZSA-N 1 0 219.328 3.821 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccoc1 ZINC000087289561 384933412 /nfs/dbraw/zinc/93/34/12/384933412.db2.gz IUPREVDEUFMCNP-GFCCVEGCSA-N 1 0 219.328 3.821 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1ccoc1 ZINC000087289568 518183206 /nfs/dbraw/zinc/18/32/06/518183206.db2.gz SKAJMPYVNUCECX-NSHDSACASA-N 1 0 207.317 3.653 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1ccoc1 ZINC000087289569 384931994 /nfs/dbraw/zinc/93/19/94/384931994.db2.gz SKAJMPYVNUCECX-LLVKDONJSA-N 1 0 207.317 3.653 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087289570 384931080 /nfs/dbraw/zinc/93/10/80/384931080.db2.gz JEZLCFZBMIIFAR-NEPJUHHUSA-N 1 0 209.333 3.755 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087289571 384933242 /nfs/dbraw/zinc/93/32/42/384933242.db2.gz JEZLCFZBMIIFAR-RYUDHWBXSA-N 1 0 209.333 3.755 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000087289572 384932230 /nfs/dbraw/zinc/93/22/30/384932230.db2.gz JEZLCFZBMIIFAR-VXGBXAGGSA-N 1 0 209.333 3.755 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000087289573 322874793 /nfs/dbraw/zinc/87/47/93/322874793.db2.gz JEZLCFZBMIIFAR-NWDGAFQWSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccs1)c1ccoc1 ZINC000087289620 491067563 /nfs/dbraw/zinc/06/75/63/491067563.db2.gz HIJCBDRCIBBOAU-UWVGGRQHSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccoc1 ZINC000087289621 491067582 /nfs/dbraw/zinc/06/75/82/491067582.db2.gz HIJCBDRCIBBOAU-ZJUUUORDSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1cccs1 ZINC000087289622 491067639 /nfs/dbraw/zinc/06/76/39/491067639.db2.gz HIJCBDRCIBBOAU-VHSXEESVSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccs1)c1ccoc1 ZINC000087289623 491067624 /nfs/dbraw/zinc/06/76/24/491067624.db2.gz HIJCBDRCIBBOAU-NXEZZACHSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccoc1 ZINC000087289652 385089211 /nfs/dbraw/zinc/08/92/11/385089211.db2.gz BTSDTHXAOUFOPK-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccoc1 ZINC000087289653 384934978 /nfs/dbraw/zinc/93/49/78/384934978.db2.gz BTSDTHXAOUFOPK-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000087289702 384931677 /nfs/dbraw/zinc/93/16/77/384931677.db2.gz BCLNWGRDVWHIPJ-MDZLAQPJSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000087289704 384932081 /nfs/dbraw/zinc/93/20/81/384932081.db2.gz BCLNWGRDVWHIPJ-NTZNESFSSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)c1ccoc1 ZINC000087289708 384933589 /nfs/dbraw/zinc/93/35/89/384933589.db2.gz XADXTTROLDMAJE-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)c1ccoc1 ZINC000087289709 384931691 /nfs/dbraw/zinc/93/16/91/384931691.db2.gz XADXTTROLDMAJE-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccoc1 ZINC000087289810 384940013 /nfs/dbraw/zinc/94/00/13/384940013.db2.gz FQYPSZRXJKJBAH-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccoc1 ZINC000087289811 384940794 /nfs/dbraw/zinc/94/07/94/384940794.db2.gz FQYPSZRXJKJBAH-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccoc1 ZINC000087289812 384941079 /nfs/dbraw/zinc/94/10/79/384941079.db2.gz FQYPSZRXJKJBAH-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccoc1 ZINC000087289813 384940972 /nfs/dbraw/zinc/94/09/72/384940972.db2.gz FQYPSZRXJKJBAH-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000087289822 384941382 /nfs/dbraw/zinc/94/13/82/384941382.db2.gz NNHMCFOFFVNYEC-SCRDCRAPSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000087289824 322876592 /nfs/dbraw/zinc/87/65/92/322876592.db2.gz NNHMCFOFFVNYEC-OUCADQQQSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)c1ccoc1 ZINC000087289908 322876474 /nfs/dbraw/zinc/87/64/74/322876474.db2.gz ORZFRCMRMALSNS-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)c1ccoc1 ZINC000087289909 384939041 /nfs/dbraw/zinc/93/90/41/384939041.db2.gz ORZFRCMRMALSNS-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccoc1 ZINC000087289910 491126954 /nfs/dbraw/zinc/12/69/54/491126954.db2.gz ZYOZQUVQFGYZHY-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccoc1 ZINC000087289911 491067651 /nfs/dbraw/zinc/06/76/51/491067651.db2.gz ZYOZQUVQFGYZHY-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000087290010 491067646 /nfs/dbraw/zinc/06/76/46/491067646.db2.gz WKIJFBFIMDISBY-DCBWTQNWSA-N 1 0 221.344 3.899 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000087290011 491067700 /nfs/dbraw/zinc/06/77/00/491067700.db2.gz WKIJFBFIMDISBY-LKSINWNRSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccoc1 ZINC000087290022 385088703 /nfs/dbraw/zinc/08/87/03/385088703.db2.gz MSWRETGMLNWUJP-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccoc1 ZINC000087290023 322963645 /nfs/dbraw/zinc/96/36/45/322963645.db2.gz MSWRETGMLNWUJP-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccoc1 ZINC000087290024 322876750 /nfs/dbraw/zinc/87/67/50/322876750.db2.gz MSWRETGMLNWUJP-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccoc1 ZINC000087290025 384940869 /nfs/dbraw/zinc/94/08/69/384940869.db2.gz MSWRETGMLNWUJP-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccoc1 ZINC000087290058 385088383 /nfs/dbraw/zinc/08/83/83/385088383.db2.gz NZANLCFBMMNKBD-FRRDWIJNSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccoc1 ZINC000087290059 384944418 /nfs/dbraw/zinc/94/44/18/384944418.db2.gz NZANLCFBMMNKBD-RWMBFGLXSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccoc1 ZINC000087290060 384937173 /nfs/dbraw/zinc/93/71/73/384937173.db2.gz NZANLCFBMMNKBD-AGIUHOORSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccoc1 ZINC000087290061 322876111 /nfs/dbraw/zinc/87/61/11/322876111.db2.gz NZANLCFBMMNKBD-AVGNSLFASA-N 1 0 221.344 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccoc2)s1 ZINC000087290133 322876015 /nfs/dbraw/zinc/87/60/15/322876015.db2.gz CCOCNVSMUDCRSU-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccoc1 ZINC000087290164 365510069 /nfs/dbraw/zinc/51/00/69/365510069.db2.gz PWARREFOCUKJQJ-RYUDHWBXSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccoc1 ZINC000087290165 365510195 /nfs/dbraw/zinc/51/01/95/365510195.db2.gz PWARREFOCUKJQJ-NWDGAFQWSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)C1CCCCC1 ZINC000087290166 365510705 /nfs/dbraw/zinc/51/07/05/365510705.db2.gz PWARREFOCUKJQJ-NEPJUHHUSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccoc1 ZINC000087290167 365510263 /nfs/dbraw/zinc/51/02/63/365510263.db2.gz PWARREFOCUKJQJ-VXGBXAGGSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccoc1 ZINC000087290170 385088864 /nfs/dbraw/zinc/08/88/64/385088864.db2.gz SKIKSUUEHVJCBG-JTQLQIEISA-N 1 0 235.714 3.784 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccoc1 ZINC000087290171 322963691 /nfs/dbraw/zinc/96/36/91/322963691.db2.gz SKIKSUUEHVJCBG-SNVBAGLBSA-N 1 0 235.714 3.784 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccsc1)c1ccoc1 ZINC000087290192 491067727 /nfs/dbraw/zinc/06/77/27/491067727.db2.gz OPIPWRBCFMZDHA-UWVGGRQHSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccoc1 ZINC000087290193 491067770 /nfs/dbraw/zinc/06/77/70/491067770.db2.gz OPIPWRBCFMZDHA-ZJUUUORDSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccsc1 ZINC000087290194 491067702 /nfs/dbraw/zinc/06/77/02/491067702.db2.gz OPIPWRBCFMZDHA-VHSXEESVSA-N 1 0 221.325 3.753 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccoc1 ZINC000087290216 385088378 /nfs/dbraw/zinc/08/83/78/385088378.db2.gz SYWXDWZABRHKFH-CPCZMJQVSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccoc1 ZINC000087290217 385089151 /nfs/dbraw/zinc/08/91/51/385089151.db2.gz SYWXDWZABRHKFH-OTTFEQOBSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccoc1 ZINC000087290252 322876586 /nfs/dbraw/zinc/87/65/86/322876586.db2.gz PISFZVQBCZOGCE-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccoc1 ZINC000087290253 384935646 /nfs/dbraw/zinc/93/56/46/384935646.db2.gz PISFZVQBCZOGCE-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccoc1 ZINC000087290286 385088589 /nfs/dbraw/zinc/08/85/89/385088589.db2.gz LINQNZXSLVZTBQ-NMKXLXIOSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccoc1 ZINC000087290294 365518237 /nfs/dbraw/zinc/51/82/37/365518237.db2.gz WRFGBSIJHFVEGB-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccoc1 ZINC000087290295 365518247 /nfs/dbraw/zinc/51/82/47/365518247.db2.gz WRFGBSIJHFVEGB-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)C1CCCC1 ZINC000087290296 365518860 /nfs/dbraw/zinc/51/88/60/365518860.db2.gz WRFGBSIJHFVEGB-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccoc1 ZINC000087290297 365518958 /nfs/dbraw/zinc/51/89/58/365518958.db2.gz WRFGBSIJHFVEGB-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccoc1 ZINC000087290310 385089319 /nfs/dbraw/zinc/08/93/19/385089319.db2.gz AXILURXNXWBOCR-NSHDSACASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccoc1 ZINC000087290311 385088913 /nfs/dbraw/zinc/08/89/13/385088913.db2.gz AXILURXNXWBOCR-LLVKDONJSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccoc1 ZINC000087290364 384947386 /nfs/dbraw/zinc/94/73/86/384947386.db2.gz LISNEOAMHLXLAQ-UTUOFQBUSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccoc1 ZINC000087290367 322963643 /nfs/dbraw/zinc/96/36/43/322963643.db2.gz ZBXNFCJCFWOCBC-OWTLIXCDSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccoc1 ZINC000087290368 385088803 /nfs/dbraw/zinc/08/88/03/385088803.db2.gz ZBXNFCJCFWOCBC-ZJQBRPOHSA-N 1 0 221.344 3.755 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000087290369 322963686 /nfs/dbraw/zinc/96/36/86/322963686.db2.gz AFMHBKLXJYQPJD-SCRDCRAPSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000087290371 385088431 /nfs/dbraw/zinc/08/84/31/385088431.db2.gz AFMHBKLXJYQPJD-OUCADQQQSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290424 322878718 /nfs/dbraw/zinc/87/87/18/322878718.db2.gz ZHUMNQCFHOIGIW-TUAOUCFPSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290426 322878827 /nfs/dbraw/zinc/87/88/27/322878827.db2.gz ZHUMNQCFHOIGIW-SRVKXCTJSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccoc1 ZINC000087290515 384947237 /nfs/dbraw/zinc/94/72/37/384947237.db2.gz RJMOSZCWOTZQOA-CMPLNLGQSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccoc1 ZINC000087290516 322879320 /nfs/dbraw/zinc/87/93/20/322879320.db2.gz RJMOSZCWOTZQOA-ZYHUDNBSSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccoc1 ZINC000087290517 384946661 /nfs/dbraw/zinc/94/66/61/384946661.db2.gz RJMOSZCWOTZQOA-JQWIXIFHSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccoc1 ZINC000087290518 384948439 /nfs/dbraw/zinc/94/84/39/384948439.db2.gz RJMOSZCWOTZQOA-PWSUYJOCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccoc1 ZINC000087290519 322879386 /nfs/dbraw/zinc/87/93/86/322879386.db2.gz ONJFTDBSAMMITI-WCQYABFASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccoc1 ZINC000087290520 384942976 /nfs/dbraw/zinc/94/29/76/384942976.db2.gz ONJFTDBSAMMITI-DGCLKSJQSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1ccoc1 ZINC000087290521 322877530 /nfs/dbraw/zinc/87/75/30/322877530.db2.gz ONJFTDBSAMMITI-AAEUAGOBSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1ccoc1 ZINC000087290522 384942499 /nfs/dbraw/zinc/94/24/99/384942499.db2.gz ONJFTDBSAMMITI-YPMHNXCESA-N 1 0 221.344 3.899 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000087308418 256802042 /nfs/dbraw/zinc/80/20/42/256802042.db2.gz NPVPAEMLQPVHNF-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000087308419 388518441 /nfs/dbraw/zinc/51/84/41/388518441.db2.gz NPVPAEMLQPVHNF-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1ccoc1 ZINC000087308536 384762591 /nfs/dbraw/zinc/76/25/91/384762591.db2.gz LOOPPDPKUKMILH-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1ccoc1 ZINC000087308537 325631228 /nfs/dbraw/zinc/63/12/28/325631228.db2.gz LOOPPDPKUKMILH-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO CCc1ccc(C[NH2+]Cc2sccc2C)o1 ZINC000087308621 359906131 /nfs/dbraw/zinc/90/61/31/359906131.db2.gz POKDHHAXRWSNHQ-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1sccc1C ZINC000087308719 388517906 /nfs/dbraw/zinc/51/79/06/388517906.db2.gz NDRJYCSJOBPDFY-SNVBAGLBSA-N 1 0 211.374 3.582 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1sccc1C ZINC000087308720 256802381 /nfs/dbraw/zinc/80/23/81/256802381.db2.gz NDRJYCSJOBPDFY-JTQLQIEISA-N 1 0 211.374 3.582 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cccc(C)c1 ZINC000087309109 359906747 /nfs/dbraw/zinc/90/67/47/359906747.db2.gz FCERJQHFVACXTD-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1ccoc1 ZINC000087309174 322883041 /nfs/dbraw/zinc/88/30/41/322883041.db2.gz YWQOSHMVSLGKPF-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1ccoc1 ZINC000087309175 384966077 /nfs/dbraw/zinc/96/60/77/384966077.db2.gz YWQOSHMVSLGKPF-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1ccccc1 ZINC000087309191 135121820 /nfs/dbraw/zinc/12/18/20/135121820.db2.gz SOJUJUCHPGPEMF-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1ccccc1 ZINC000087309192 135122248 /nfs/dbraw/zinc/12/22/48/135122248.db2.gz SOJUJUCHPGPEMF-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)CCC(C)C ZINC000087309197 388517876 /nfs/dbraw/zinc/51/78/76/388517876.db2.gz YVSJHEIHSCORNG-LBPRGKRZSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)CCC(C)C ZINC000087309198 256801525 /nfs/dbraw/zinc/80/15/25/256801525.db2.gz YVSJHEIHSCORNG-GFCCVEGCSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(C)cc1 ZINC000087309199 135121779 /nfs/dbraw/zinc/12/17/79/135121779.db2.gz IWKCXULRULQBKO-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1ccsc1 ZINC000087309261 135122027 /nfs/dbraw/zinc/12/20/27/135122027.db2.gz UYEMVIDISXJSCG-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1ccsc1 ZINC000087309262 135122195 /nfs/dbraw/zinc/12/21/95/135122195.db2.gz UYEMVIDISXJSCG-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCCC1(C)C ZINC000087309389 388518266 /nfs/dbraw/zinc/51/82/66/388518266.db2.gz FJRRPTMNYKSPCH-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCCC1(C)C ZINC000087309390 388517995 /nfs/dbraw/zinc/51/79/95/388517995.db2.gz FJRRPTMNYKSPCH-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cscc1C ZINC000087309408 256802201 /nfs/dbraw/zinc/80/22/01/256802201.db2.gz CAEHOGVRTPQCGC-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cscc1C ZINC000087309409 388517908 /nfs/dbraw/zinc/51/79/08/388517908.db2.gz CAEHOGVRTPQCGC-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccccc1C ZINC000087309415 135121650 /nfs/dbraw/zinc/12/16/50/135121650.db2.gz XSLDBGZLGUHDPW-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)C(C)C ZINC000087309416 135121627 /nfs/dbraw/zinc/12/16/27/135121627.db2.gz UCJPPIGNBZDHDF-LBPRGKRZSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscc1C)C(C)C ZINC000087309417 535806483 /nfs/dbraw/zinc/80/64/83/535806483.db2.gz UCJPPIGNBZDHDF-GFCCVEGCSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cscc2C)s1 ZINC000087309423 135121995 /nfs/dbraw/zinc/12/19/95/135121995.db2.gz ODJLDNTVEYZTTE-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cscc1C ZINC000087309433 535645535 /nfs/dbraw/zinc/64/55/35/535645535.db2.gz DVXIANYIAMVXMB-MWLCHTKSSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cscc1C ZINC000087309434 135122158 /nfs/dbraw/zinc/12/21/58/135122158.db2.gz DVXIANYIAMVXMB-GXSJLCMTSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cscc1C ZINC000087309435 135121622 /nfs/dbraw/zinc/12/16/22/135121622.db2.gz DVXIANYIAMVXMB-KOLCDFICSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cscc1C ZINC000087309436 135121837 /nfs/dbraw/zinc/12/18/37/135121837.db2.gz DVXIANYIAMVXMB-ONGXEEELSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)C1CCCC1 ZINC000087309446 388517688 /nfs/dbraw/zinc/51/76/88/388517688.db2.gz GBBATZUJNVGULY-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)C1CCCC1 ZINC000087309447 388518462 /nfs/dbraw/zinc/51/84/62/388518462.db2.gz GBBATZUJNVGULY-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000087309473 135121658 /nfs/dbraw/zinc/12/16/58/135121658.db2.gz VGGTYFRRPDYDPV-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000087309474 135122101 /nfs/dbraw/zinc/12/21/01/135122101.db2.gz VGGTYFRRPDYDPV-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000087309475 135122031 /nfs/dbraw/zinc/12/20/31/135122031.db2.gz VGGTYFRRPDYDPV-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000087309476 135121748 /nfs/dbraw/zinc/12/17/48/135121748.db2.gz VGGTYFRRPDYDPV-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)CC(C)C ZINC000087309479 135121740 /nfs/dbraw/zinc/12/17/40/135121740.db2.gz JPYWICHEILRWOJ-NSHDSACASA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)CC(C)C ZINC000087309480 135121863 /nfs/dbraw/zinc/12/18/63/135121863.db2.gz JPYWICHEILRWOJ-LLVKDONJSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cscc1C ZINC000087309481 135122238 /nfs/dbraw/zinc/12/22/38/135122238.db2.gz VJJZOQLHGIEZJO-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000087309495 388517862 /nfs/dbraw/zinc/51/78/62/388517862.db2.gz YAVVDGXVGIGIGJ-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000087309496 388518408 /nfs/dbraw/zinc/51/84/08/388518408.db2.gz YAVVDGXVGIGIGJ-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000087309497 388518110 /nfs/dbraw/zinc/51/81/10/388518110.db2.gz YAVVDGXVGIGIGJ-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000087309498 388518140 /nfs/dbraw/zinc/51/81/40/388518140.db2.gz YAVVDGXVGIGIGJ-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cscc2C)o1 ZINC000087309504 135121600 /nfs/dbraw/zinc/12/16/00/135121600.db2.gz YGGZZDVDQHWHCF-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cscc2C)o1 ZINC000087309527 135122075 /nfs/dbraw/zinc/12/20/75/135122075.db2.gz LVBSRWGLLBDFSN-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cscc2C)o1 ZINC000087309528 135122068 /nfs/dbraw/zinc/12/20/68/135122068.db2.gz LVBSRWGLLBDFSN-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cscc1C[NH2+]C1CCC(C)CC1 ZINC000087309578 135122674 /nfs/dbraw/zinc/12/26/74/135122674.db2.gz KFHDPYLDZJFJSU-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(Cl)o1 ZINC000087309585 135122471 /nfs/dbraw/zinc/12/24/71/135122471.db2.gz HRXSZKMNPHZERF-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO Cc1cscc1C[NH2+]CCC(C)(C)C ZINC000087309602 135122522 /nfs/dbraw/zinc/12/25/22/135122522.db2.gz FGIOYAWOBWICKW-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1cccs1 ZINC000087309638 135122656 /nfs/dbraw/zinc/12/26/56/135122656.db2.gz HLBFYHAKOGQELL-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1cccs1 ZINC000087309639 135123013 /nfs/dbraw/zinc/12/30/13/135123013.db2.gz HLBFYHAKOGQELL-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cscc1C[NH2+]C[C@H]1CC=CCC1 ZINC000087309640 135122686 /nfs/dbraw/zinc/12/26/86/135122686.db2.gz VQWFJGAWVWHNHK-LBPRGKRZSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1cscc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000087309641 135122666 /nfs/dbraw/zinc/12/26/66/135122666.db2.gz VQWFJGAWVWHNHK-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1ccco1 ZINC000087309643 135122567 /nfs/dbraw/zinc/12/25/67/135122567.db2.gz RNNUENICQQNUJA-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1ccco1 ZINC000087309644 135122836 /nfs/dbraw/zinc/12/28/36/135122836.db2.gz RNNUENICQQNUJA-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cscc1C[NH2+]CC1CCCCC1 ZINC000087309649 388517673 /nfs/dbraw/zinc/51/76/73/388517673.db2.gz SZBJKSMNZDINBX-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC(CC)C[NH2+]Cc1cscc1C ZINC000087309653 388518493 /nfs/dbraw/zinc/51/84/93/388518493.db2.gz KISYATGNMJRBNH-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1cscc1C ZINC000087309654 388517793 /nfs/dbraw/zinc/51/77/93/388517793.db2.gz CODMIZKWAXHDJA-SNVBAGLBSA-N 1 0 211.374 3.582 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1cscc1C ZINC000087309655 256803143 /nfs/dbraw/zinc/80/31/43/256803143.db2.gz CODMIZKWAXHDJA-JTQLQIEISA-N 1 0 211.374 3.582 20 0 BHADRO Cc1cscc1CNc1ccncc1Cl ZINC000087311160 135122770 /nfs/dbraw/zinc/12/27/70/135122770.db2.gz GLUGWJKBMHUIFD-UHFFFAOYSA-N 1 0 238.743 3.717 20 0 BHADRO CCC1(C[NH2+]Cc2cccs2)CCCC1 ZINC000087316524 256802928 /nfs/dbraw/zinc/80/29/28/256802928.db2.gz YYBXOUAMOPNEMZ-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO CCC(CC)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087334781 259308159 /nfs/dbraw/zinc/30/81/59/259308159.db2.gz GNLGCZJRIHIMHC-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO CCC(C)(C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087334785 644490473 /nfs/dbraw/zinc/49/04/73/644490473.db2.gz HNRIUPLFJHATSY-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375378 256571377 /nfs/dbraw/zinc/57/13/77/256571377.db2.gz OQMFECYBZAOSBV-SNVBAGLBSA-N 1 0 240.416 3.719 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375382 388518837 /nfs/dbraw/zinc/51/88/37/388518837.db2.gz OQMFECYBZAOSBV-JTQLQIEISA-N 1 0 240.416 3.719 20 0 BHADRO CC(C)CC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375410 636895291 /nfs/dbraw/zinc/89/52/91/636895291.db2.gz LCPWIAXKHQEWBT-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375464 383833662 /nfs/dbraw/zinc/83/36/62/383833662.db2.gz SXQYHGNLZVIGKU-SNVBAGLBSA-N 1 0 240.416 3.575 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375466 256571858 /nfs/dbraw/zinc/57/18/58/256571858.db2.gz SXQYHGNLZVIGKU-JTQLQIEISA-N 1 0 240.416 3.575 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000087375737 644493100 /nfs/dbraw/zinc/49/31/00/644493100.db2.gz XGFIPKROVLZNGI-SNVBAGLBSA-N 1 0 240.416 3.818 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000087375740 644493088 /nfs/dbraw/zinc/49/30/88/644493088.db2.gz XGFIPKROVLZNGI-JTQLQIEISA-N 1 0 240.416 3.818 20 0 BHADRO Cc1nc(C[NH2+]C2(C)CCCCC2)sc1C ZINC000087375818 644491987 /nfs/dbraw/zinc/49/19/87/644491987.db2.gz AFGVUJATFRKBKI-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375952 383833523 /nfs/dbraw/zinc/83/35/23/383833523.db2.gz GTHVGOPVCBKIEN-SNVBAGLBSA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087375954 383834479 /nfs/dbraw/zinc/83/44/79/383834479.db2.gz GTHVGOPVCBKIEN-JTQLQIEISA-N 1 0 240.416 3.576 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)CCC(C)C)sc1C ZINC000087376014 135127204 /nfs/dbraw/zinc/12/72/04/135127204.db2.gz XCNXAAAONWWGCR-JTQLQIEISA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)CCC(C)C)sc1C ZINC000087376018 135127207 /nfs/dbraw/zinc/12/72/07/135127207.db2.gz XCNXAAAONWWGCR-SNVBAGLBSA-N 1 0 240.416 3.674 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc(C)c(C)s1 ZINC000087376205 359909539 /nfs/dbraw/zinc/90/95/39/359909539.db2.gz KSSMVROUSHZSGH-UHFFFAOYSA-N 1 0 240.416 3.818 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)CCOC ZINC000087398935 640884453 /nfs/dbraw/zinc/88/44/53/640884453.db2.gz RVKXDBQICPSBAR-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)CCOC ZINC000087398936 640884154 /nfs/dbraw/zinc/88/41/54/640884154.db2.gz RVKXDBQICPSBAR-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cscn1 ZINC000087398985 640884496 /nfs/dbraw/zinc/88/44/96/640884496.db2.gz CFSAXGZSDUDBDG-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000087398992 640884896 /nfs/dbraw/zinc/88/48/96/640884896.db2.gz CHBVZVXGUKGTIT-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCSC1 ZINC000087398993 640884202 /nfs/dbraw/zinc/88/42/02/640884202.db2.gz CHBVZVXGUKGTIT-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cc[nH]c1 ZINC000087399007 640884156 /nfs/dbraw/zinc/88/41/56/640884156.db2.gz SRXVMSSXFZWICF-UHFFFAOYSA-N 1 0 222.376 3.711 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1nccs1 ZINC000087399077 640883885 /nfs/dbraw/zinc/88/38/85/640883885.db2.gz MGDOZQOCPSXMEU-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cncs1 ZINC000087399093 640883903 /nfs/dbraw/zinc/88/39/03/640883903.db2.gz SKLHXWMYBKIBJR-UHFFFAOYSA-N 1 0 240.416 3.839 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000087416139 322900104 /nfs/dbraw/zinc/90/01/04/322900104.db2.gz XCXNJEZEKVTOQP-NEPJUHHUSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000087416140 385243999 /nfs/dbraw/zinc/24/39/99/385243999.db2.gz XCXNJEZEKVTOQP-RYUDHWBXSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000087416141 322900062 /nfs/dbraw/zinc/90/00/62/322900062.db2.gz XCXNJEZEKVTOQP-VXGBXAGGSA-N 1 0 237.412 3.804 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000087416142 322900021 /nfs/dbraw/zinc/90/00/21/322900021.db2.gz XCXNJEZEKVTOQP-NWDGAFQWSA-N 1 0 237.412 3.804 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000087472956 384150622 /nfs/dbraw/zinc/15/06/22/384150622.db2.gz YUPVXJZTIDREGM-OCCSQVGLSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000087472957 384151616 /nfs/dbraw/zinc/15/16/16/384151616.db2.gz YUPVXJZTIDREGM-JSGCOSHPSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000087472958 384151713 /nfs/dbraw/zinc/15/17/13/384151713.db2.gz YUPVXJZTIDREGM-TZMCWYRMSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000087472959 256525622 /nfs/dbraw/zinc/52/56/22/256525622.db2.gz YUPVXJZTIDREGM-GXTWGEPZSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000087473002 259316604 /nfs/dbraw/zinc/31/66/04/259316604.db2.gz OJXQHLNKVGIHIX-KBPBESRZSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000087473003 259316518 /nfs/dbraw/zinc/31/65/18/259316518.db2.gz OJXQHLNKVGIHIX-UONOGXRCSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000087473004 259316652 /nfs/dbraw/zinc/31/66/52/259316652.db2.gz OJXQHLNKVGIHIX-KGLIPLIRSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000087473005 259316472 /nfs/dbraw/zinc/31/64/72/259316472.db2.gz OJXQHLNKVGIHIX-ZIAGYGMSSA-N 1 0 235.396 3.623 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000087473090 384149322 /nfs/dbraw/zinc/14/93/22/384149322.db2.gz GALVBFXIPMDCEA-RUXDESIVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000087473091 384149132 /nfs/dbraw/zinc/14/91/32/384149132.db2.gz GALVBFXIPMDCEA-JXQTWKCFSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000087473100 384149476 /nfs/dbraw/zinc/14/94/76/384149476.db2.gz MSLGVJSNTCIXBG-RUXDESIVSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000087473101 384149711 /nfs/dbraw/zinc/14/97/11/384149711.db2.gz MSLGVJSNTCIXBG-JXQTWKCFSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCC1CCCCC1 ZINC000087473421 384152184 /nfs/dbraw/zinc/15/21/84/384152184.db2.gz OOUZZZQHXBQMTL-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCC1CCCCC1 ZINC000087473422 384151828 /nfs/dbraw/zinc/15/18/28/384151828.db2.gz OOUZZZQHXBQMTL-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C1=CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC000087473455 259316453 /nfs/dbraw/zinc/31/64/53/259316453.db2.gz ZNPLLNZFLNNAFU-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO C1=CC[C@@H]([NH2+]CCC2CCCCC2)CC1 ZINC000087473456 259316501 /nfs/dbraw/zinc/31/65/01/259316501.db2.gz ZNPLLNZFLNNAFU-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCC1 ZINC000087584506 383852016 /nfs/dbraw/zinc/85/20/16/383852016.db2.gz UPMBVFQRNXKRMI-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCC1 ZINC000087584507 256572337 /nfs/dbraw/zinc/57/23/37/256572337.db2.gz UPMBVFQRNXKRMI-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CCOc1cc(C)ccc1NCC1CCC1 ZINC000087584620 343520499 /nfs/dbraw/zinc/52/04/99/343520499.db2.gz YESQKUCPFDVSBC-UHFFFAOYSA-N 1 0 219.328 3.606 20 0 BHADRO CCC(CC)[NH2+]CC(C)(C)c1cccs1 ZINC000087619369 384420352 /nfs/dbraw/zinc/42/03/52/384420352.db2.gz VDDGAPNILTWNSO-UHFFFAOYSA-N 1 0 225.401 3.804 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)C1(C)CC1 ZINC000087619386 383856714 /nfs/dbraw/zinc/85/67/14/383856714.db2.gz UIENEOYYCAOQNC-NSHDSACASA-N 1 0 237.412 3.804 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)C1(C)CC1 ZINC000087619388 383855687 /nfs/dbraw/zinc/85/56/87/383855687.db2.gz UIENEOYYCAOQNC-LLVKDONJSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)c1cccs1 ZINC000087619390 384420335 /nfs/dbraw/zinc/42/03/35/384420335.db2.gz INAFWTMTRXFCRM-LLVKDONJSA-N 1 0 225.401 3.661 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)c1cccs1 ZINC000087619392 384419759 /nfs/dbraw/zinc/41/97/59/384419759.db2.gz INAFWTMTRXFCRM-NSHDSACASA-N 1 0 225.401 3.661 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000087619396 384421021 /nfs/dbraw/zinc/42/10/21/384421021.db2.gz CHSVBBNZHPLEFD-LLVKDONJSA-N 1 0 225.401 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000087619397 384420952 /nfs/dbraw/zinc/42/09/52/384420952.db2.gz CHSVBBNZHPLEFD-NSHDSACASA-N 1 0 225.401 3.660 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000087619402 383856383 /nfs/dbraw/zinc/85/63/83/383856383.db2.gz DJUJKMMZDMQKFP-LBPRGKRZSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000087619404 384420425 /nfs/dbraw/zinc/42/04/25/384420425.db2.gz DJUJKMMZDMQKFP-GFCCVEGCSA-N 1 0 237.412 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000087619417 256527413 /nfs/dbraw/zinc/52/74/13/256527413.db2.gz VHFASQCUVHLIJI-LLVKDONJSA-N 1 0 225.401 3.804 20 0 BHADRO CCC[C@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000087619419 256527145 /nfs/dbraw/zinc/52/71/45/256527145.db2.gz VHFASQCUVHLIJI-NSHDSACASA-N 1 0 225.401 3.804 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000087620218 384422796 /nfs/dbraw/zinc/42/27/96/384422796.db2.gz RFHVMYOXBNPVDD-JSGCOSHPSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000087620220 384422737 /nfs/dbraw/zinc/42/27/37/384422737.db2.gz RFHVMYOXBNPVDD-OCCSQVGLSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000087620222 384422667 /nfs/dbraw/zinc/42/26/67/384422667.db2.gz RFHVMYOXBNPVDD-GXTWGEPZSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000087620224 383856331 /nfs/dbraw/zinc/85/63/31/383856331.db2.gz RFHVMYOXBNPVDD-TZMCWYRMSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@]1(C[NH2+]C2CCCCCC2)CCCS1 ZINC000087620382 384423752 /nfs/dbraw/zinc/42/37/52/384423752.db2.gz SRJQUQIWQVHEPS-CYBMUJFWSA-N 1 0 227.417 3.585 20 0 BHADRO C[C@@]1(C[NH2+]C2CCCCCC2)CCCS1 ZINC000087620383 256527939 /nfs/dbraw/zinc/52/79/39/256527939.db2.gz SRJQUQIWQVHEPS-ZDUSSCGKSA-N 1 0 227.417 3.585 20 0 BHADRO CCC1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000087620448 384423478 /nfs/dbraw/zinc/42/34/78/384423478.db2.gz BIJVRJRQYYQVFO-RUXDESIVSA-N 1 0 241.444 3.831 20 0 BHADRO CCC1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000087620450 256528043 /nfs/dbraw/zinc/52/80/43/256528043.db2.gz BIJVRJRQYYQVFO-JXQTWKCFSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000087620543 383855584 /nfs/dbraw/zinc/85/55/84/383855584.db2.gz MVDKYRICPZPJQJ-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000087620547 383856532 /nfs/dbraw/zinc/85/65/32/383856532.db2.gz MVDKYRICPZPJQJ-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@]1(C[NH2+]C2CCC(C)(C)CC2)CCCS1 ZINC000087620630 383857325 /nfs/dbraw/zinc/85/73/25/383857325.db2.gz QYFSMNZNVIOMAG-AWEZNQCLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@]1(C[NH2+]C2CCC(C)(C)CC2)CCCS1 ZINC000087620632 322963979 /nfs/dbraw/zinc/96/39/79/322963979.db2.gz QYFSMNZNVIOMAG-CQSZACIVSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)(C)C(=O)CC[N@@H+]1CCCC(C)(C)CC1 ZINC000087659718 644501435 /nfs/dbraw/zinc/50/14/35/644501435.db2.gz VWWKWBNNRWIMJD-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C([NH2+]C1CCCCCCC1)[C@@H]1CCCS1 ZINC000087667542 640963477 /nfs/dbraw/zinc/96/34/77/640963477.db2.gz IMLUISYOXNVDCD-ZDUSSCGKSA-N 1 0 227.417 3.585 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087667944 343656258 /nfs/dbraw/zinc/65/62/58/343656258.db2.gz BPMMUAGAYBGHBX-MNOVXSKESA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087667945 135510380 /nfs/dbraw/zinc/51/03/80/135510380.db2.gz BPMMUAGAYBGHBX-QWRGUYRKSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087667946 343656068 /nfs/dbraw/zinc/65/60/68/343656068.db2.gz BPMMUAGAYBGHBX-GHMZBOCLSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087667947 343656159 /nfs/dbraw/zinc/65/61/59/343656159.db2.gz BPMMUAGAYBGHBX-WDEREUQCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)s1 ZINC000087668058 135510729 /nfs/dbraw/zinc/51/07/29/135510729.db2.gz SLYYQZZMHDGCAI-MNOVXSKESA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)s1 ZINC000087668059 343656279 /nfs/dbraw/zinc/65/62/79/343656279.db2.gz SLYYQZZMHDGCAI-QWRGUYRKSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)s1 ZINC000087668060 343656104 /nfs/dbraw/zinc/65/61/04/343656104.db2.gz SLYYQZZMHDGCAI-GHMZBOCLSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)s1 ZINC000087668061 343656066 /nfs/dbraw/zinc/65/60/66/343656066.db2.gz SLYYQZZMHDGCAI-WDEREUQCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000087668144 359923039 /nfs/dbraw/zinc/92/30/39/359923039.db2.gz SGXMEMNLPFOQLJ-OCCSQVGLSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000087668145 359923108 /nfs/dbraw/zinc/92/31/08/359923108.db2.gz SGXMEMNLPFOQLJ-JSGCOSHPSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000087668146 359923580 /nfs/dbraw/zinc/92/35/80/359923580.db2.gz SGXMEMNLPFOQLJ-TZMCWYRMSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000087668147 359923104 /nfs/dbraw/zinc/92/31/04/359923104.db2.gz SGXMEMNLPFOQLJ-GXTWGEPZSA-N 1 0 235.396 3.541 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087668160 640963642 /nfs/dbraw/zinc/96/36/42/640963642.db2.gz GNISTDFBZYBCBV-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087668161 640963942 /nfs/dbraw/zinc/96/39/42/640963942.db2.gz GNISTDFBZYBCBV-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087668162 640964105 /nfs/dbraw/zinc/96/41/05/640964105.db2.gz GNISTDFBZYBCBV-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087668163 640963880 /nfs/dbraw/zinc/96/38/80/640963880.db2.gz GNISTDFBZYBCBV-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1cccs1 ZINC000087668168 343656708 /nfs/dbraw/zinc/65/67/08/343656708.db2.gz JCDSIEMVDCJEPZ-QWRGUYRKSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccs1 ZINC000087668169 343656830 /nfs/dbraw/zinc/65/68/30/343656830.db2.gz JCDSIEMVDCJEPZ-WDEREUQCSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1cccs1 ZINC000087668170 343656750 /nfs/dbraw/zinc/65/67/50/343656750.db2.gz JCDSIEMVDCJEPZ-MNOVXSKESA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1cccs1 ZINC000087668171 135510545 /nfs/dbraw/zinc/51/05/45/135510545.db2.gz JCDSIEMVDCJEPZ-GHMZBOCLSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCCS1 ZINC000087668232 384757006 /nfs/dbraw/zinc/75/70/06/384757006.db2.gz YCPYMMVFVGUTAS-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCCS1 ZINC000087668234 384756942 /nfs/dbraw/zinc/75/69/42/384756942.db2.gz YCPYMMVFVGUTAS-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087668321 135510406 /nfs/dbraw/zinc/51/04/06/135510406.db2.gz GCDBSCVUPWIHBD-OLZOCXBDSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000087668322 359923003 /nfs/dbraw/zinc/92/30/03/359923003.db2.gz GCDBSCVUPWIHBD-STQMWFEESA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087668323 359923204 /nfs/dbraw/zinc/92/32/04/359923204.db2.gz GCDBSCVUPWIHBD-CHWSQXEVSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000087668324 359922995 /nfs/dbraw/zinc/92/29/95/359922995.db2.gz GCDBSCVUPWIHBD-QWHCGFSZSA-N 1 0 235.396 3.541 20 0 BHADRO C([NH2+]C1CCCCCC1)[C@@H]1CCCCS1 ZINC000087679854 256529056 /nfs/dbraw/zinc/52/90/56/256529056.db2.gz LYCMCZNLKFYTGO-ZDUSSCGKSA-N 1 0 227.417 3.585 20 0 BHADRO C([NH2+]C1CCCCCC1)[C@H]1CCCCS1 ZINC000087679856 384769269 /nfs/dbraw/zinc/76/92/69/384769269.db2.gz LYCMCZNLKFYTGO-CYBMUJFWSA-N 1 0 227.417 3.585 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCCCS1 ZINC000087683014 384770553 /nfs/dbraw/zinc/77/05/53/384770553.db2.gz LHSBRDNHPDCDNV-ZDUSSCGKSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCCCS1 ZINC000087683016 384826085 /nfs/dbraw/zinc/82/60/85/384826085.db2.gz LHSBRDNHPDCDNV-CYBMUJFWSA-N 1 0 229.433 3.831 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000087683018 384769175 /nfs/dbraw/zinc/76/91/75/384769175.db2.gz JNMZWORBSCZCLR-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000087683020 384768539 /nfs/dbraw/zinc/76/85/39/384768539.db2.gz JNMZWORBSCZCLR-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000087683022 384769511 /nfs/dbraw/zinc/76/95/11/384769511.db2.gz JNMZWORBSCZCLR-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000087683024 256529234 /nfs/dbraw/zinc/52/92/34/256529234.db2.gz JNMZWORBSCZCLR-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000087683053 711838480 /nfs/dbraw/zinc/83/84/80/711838480.db2.gz GXRNBSBPVMXXDK-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000087683055 711494425 /nfs/dbraw/zinc/49/44/25/711494425.db2.gz GXRNBSBPVMXXDK-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000087683057 711838336 /nfs/dbraw/zinc/83/83/36/711838336.db2.gz GXRNBSBPVMXXDK-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000087683059 711838417 /nfs/dbraw/zinc/83/84/17/711838417.db2.gz GXRNBSBPVMXXDK-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccsc1 ZINC000087683229 135164634 /nfs/dbraw/zinc/16/46/34/135164634.db2.gz VQHUZJSMRBTJNG-JQWIXIFHSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccsc1 ZINC000087683232 135164722 /nfs/dbraw/zinc/16/47/22/135164722.db2.gz VQHUZJSMRBTJNG-PWSUYJOCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccsc1 ZINC000087683234 135164493 /nfs/dbraw/zinc/16/44/93/135164493.db2.gz VQHUZJSMRBTJNG-CMPLNLGQSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccsc1 ZINC000087683236 135164690 /nfs/dbraw/zinc/16/46/90/135164690.db2.gz VQHUZJSMRBTJNG-ZYHUDNBSSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)C1CCCCC1 ZINC000087683336 384770591 /nfs/dbraw/zinc/77/05/91/384770591.db2.gz VEMOVBYQTZGFFN-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CCCCC1 ZINC000087683338 384770673 /nfs/dbraw/zinc/77/06/73/384770673.db2.gz VEMOVBYQTZGFFN-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCS1)C1CCCCC1 ZINC000087683339 384769908 /nfs/dbraw/zinc/76/99/08/384769908.db2.gz VEMOVBYQTZGFFN-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)C1CCCCC1 ZINC000087683341 384769714 /nfs/dbraw/zinc/76/97/14/384769714.db2.gz VEMOVBYQTZGFFN-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2)o1 ZINC000087683585 135164670 /nfs/dbraw/zinc/16/46/70/135164670.db2.gz UHVVZQVXNPRXBP-NEPJUHHUSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2)o1 ZINC000087683587 135164205 /nfs/dbraw/zinc/16/42/05/135164205.db2.gz UHVVZQVXNPRXBP-RYUDHWBXSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2)o1 ZINC000087683589 135164730 /nfs/dbraw/zinc/16/47/30/135164730.db2.gz UHVVZQVXNPRXBP-VXGBXAGGSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2)o1 ZINC000087683592 135164488 /nfs/dbraw/zinc/16/44/88/135164488.db2.gz UHVVZQVXNPRXBP-NWDGAFQWSA-N 1 0 239.384 3.524 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccs1 ZINC000087683601 135164749 /nfs/dbraw/zinc/16/47/49/135164749.db2.gz NPYSCVIZCDJIFI-QWRGUYRKSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccs1 ZINC000087683603 135164180 /nfs/dbraw/zinc/16/41/80/135164180.db2.gz NPYSCVIZCDJIFI-MNOVXSKESA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cccs1 ZINC000087683605 135164318 /nfs/dbraw/zinc/16/43/18/135164318.db2.gz NPYSCVIZCDJIFI-WDEREUQCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccs1 ZINC000087683607 205470022 /nfs/dbraw/zinc/47/00/22/205470022.db2.gz NPYSCVIZCDJIFI-GHMZBOCLSA-N 1 0 241.425 3.684 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCCS1 ZINC000087683635 384770156 /nfs/dbraw/zinc/77/01/56/384770156.db2.gz FQCPVLUQJNRKCW-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCCS1 ZINC000087683636 384769201 /nfs/dbraw/zinc/76/92/01/384769201.db2.gz FQCPVLUQJNRKCW-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCCS1 ZINC000087683638 384768654 /nfs/dbraw/zinc/76/86/54/384768654.db2.gz FQCPVLUQJNRKCW-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCCCS1 ZINC000087683640 384769943 /nfs/dbraw/zinc/76/99/43/384769943.db2.gz FQCPVLUQJNRKCW-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccccc1 ZINC000087683765 359924299 /nfs/dbraw/zinc/92/42/99/359924299.db2.gz KGRSFGQRAZHORZ-JSGCOSHPSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccccc1 ZINC000087683767 359924208 /nfs/dbraw/zinc/92/42/08/359924208.db2.gz KGRSFGQRAZHORZ-OCCSQVGLSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000087683769 135511504 /nfs/dbraw/zinc/51/15/04/135511504.db2.gz KGRSFGQRAZHORZ-GXTWGEPZSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000087683771 135511237 /nfs/dbraw/zinc/51/12/37/135511237.db2.gz KGRSFGQRAZHORZ-TZMCWYRMSA-N 1 0 235.396 3.623 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000087710826 256573074 /nfs/dbraw/zinc/57/30/74/256573074.db2.gz HHBVCRNZTUZAEG-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000087710828 383862258 /nfs/dbraw/zinc/86/22/58/383862258.db2.gz HHBVCRNZTUZAEG-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000087710838 383862472 /nfs/dbraw/zinc/86/24/72/383862472.db2.gz PJDWRLWNEIQDDD-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000087710840 256573452 /nfs/dbraw/zinc/57/34/52/256573452.db2.gz PJDWRLWNEIQDDD-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO Clc1ccsc1C[NH2+]C1CCCCC1 ZINC000087721100 256573012 /nfs/dbraw/zinc/57/30/12/256573012.db2.gz VIFWLHWJOHMXIG-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000087769165 256573279 /nfs/dbraw/zinc/57/32/79/256573279.db2.gz CXYSSSPZZUMZSY-GXTWGEPZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000087769167 383863424 /nfs/dbraw/zinc/86/34/24/383863424.db2.gz CXYSSSPZZUMZSY-TZMCWYRMSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000087769169 383864321 /nfs/dbraw/zinc/86/43/21/383864321.db2.gz CXYSSSPZZUMZSY-JSGCOSHPSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000087769171 256573543 /nfs/dbraw/zinc/57/35/43/256573543.db2.gz CXYSSSPZZUMZSY-OCCSQVGLSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770034 135166895 /nfs/dbraw/zinc/16/68/95/135166895.db2.gz MJIZGPVSPUSFFP-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770036 135166963 /nfs/dbraw/zinc/16/69/63/135166963.db2.gz MJIZGPVSPUSFFP-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770038 135167402 /nfs/dbraw/zinc/16/74/02/135167402.db2.gz MJIZGPVSPUSFFP-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770040 135167148 /nfs/dbraw/zinc/16/71/48/135167148.db2.gz MJIZGPVSPUSFFP-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)o1 ZINC000087770462 135512103 /nfs/dbraw/zinc/51/21/03/135512103.db2.gz CWPKLCKUAOIRJM-VXGBXAGGSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)o1 ZINC000087770464 135511878 /nfs/dbraw/zinc/51/18/78/135511878.db2.gz CWPKLCKUAOIRJM-NWDGAFQWSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)o1 ZINC000087770466 359926736 /nfs/dbraw/zinc/92/67/36/359926736.db2.gz CWPKLCKUAOIRJM-NEPJUHHUSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)o1 ZINC000087770468 359926317 /nfs/dbraw/zinc/92/63/17/359926317.db2.gz CWPKLCKUAOIRJM-RYUDHWBXSA-N 1 0 221.344 3.817 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087770594 256531455 /nfs/dbraw/zinc/53/14/55/256531455.db2.gz FJKBQJSKDOAXKC-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087770596 256531610 /nfs/dbraw/zinc/53/16/10/256531610.db2.gz FJKBQJSKDOAXKC-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087770599 384961506 /nfs/dbraw/zinc/96/15/06/384961506.db2.gz FJKBQJSKDOAXKC-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087770601 383864810 /nfs/dbraw/zinc/86/48/10/383864810.db2.gz FJKBQJSKDOAXKC-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771122 384962789 /nfs/dbraw/zinc/96/27/89/384962789.db2.gz IURMVWZIMFLNJQ-CQSZACIVSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771124 384961597 /nfs/dbraw/zinc/96/15/97/384961597.db2.gz IURMVWZIMFLNJQ-AWEZNQCLSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771369 322963987 /nfs/dbraw/zinc/96/39/87/322963987.db2.gz LLUFNQFOWJIQAE-WCQYABFASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771371 383863713 /nfs/dbraw/zinc/86/37/13/383863713.db2.gz LLUFNQFOWJIQAE-DGCLKSJQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771374 388713462 /nfs/dbraw/zinc/71/34/62/388713462.db2.gz LLUFNQFOWJIQAE-AAEUAGOBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771376 325640639 /nfs/dbraw/zinc/64/06/39/325640639.db2.gz LLUFNQFOWJIQAE-YPMHNXCESA-N 1 0 237.412 3.847 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000087771563 256531563 /nfs/dbraw/zinc/53/15/63/256531563.db2.gz CERIWYREWBANLK-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000087771565 256531366 /nfs/dbraw/zinc/53/13/66/256531366.db2.gz CERIWYREWBANLK-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000087771568 384960658 /nfs/dbraw/zinc/96/06/58/384960658.db2.gz CERIWYREWBANLK-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000087771570 384961301 /nfs/dbraw/zinc/96/13/01/384961301.db2.gz CERIWYREWBANLK-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)s1 ZINC000087771595 135166880 /nfs/dbraw/zinc/16/68/80/135166880.db2.gz BCPDDVWWTDJRHN-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)s1 ZINC000087771597 135167498 /nfs/dbraw/zinc/16/74/98/135167498.db2.gz BCPDDVWWTDJRHN-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccsc1 ZINC000087771713 135167965 /nfs/dbraw/zinc/16/79/65/135167965.db2.gz RNFBTGXYAFLWFV-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccsc1 ZINC000087771716 135167802 /nfs/dbraw/zinc/16/78/02/135167802.db2.gz RNFBTGXYAFLWFV-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccsc1 ZINC000087771718 135167835 /nfs/dbraw/zinc/16/78/35/135167835.db2.gz RNFBTGXYAFLWFV-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccsc1 ZINC000087771719 135168276 /nfs/dbraw/zinc/16/82/76/135168276.db2.gz RNFBTGXYAFLWFV-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CCCC1 ZINC000087771915 256531312 /nfs/dbraw/zinc/53/13/12/256531312.db2.gz PSHYVZROBJQEFS-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CCCC1 ZINC000087771917 256531152 /nfs/dbraw/zinc/53/11/52/256531152.db2.gz PSHYVZROBJQEFS-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CCCC1 ZINC000087771919 384961286 /nfs/dbraw/zinc/96/12/86/384961286.db2.gz PSHYVZROBJQEFS-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CCCC1 ZINC000087771921 384963486 /nfs/dbraw/zinc/96/34/86/384963486.db2.gz PSHYVZROBJQEFS-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771975 359927868 /nfs/dbraw/zinc/92/78/68/359927868.db2.gz RFFWNWOYSOMDPG-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771977 359927208 /nfs/dbraw/zinc/92/72/08/359927208.db2.gz RFFWNWOYSOMDPG-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771979 359927581 /nfs/dbraw/zinc/92/75/81/359927581.db2.gz RFFWNWOYSOMDPG-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771980 135168373 /nfs/dbraw/zinc/16/83/73/135168373.db2.gz RFFWNWOYSOMDPG-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)n1 ZINC000087771990 359927648 /nfs/dbraw/zinc/92/76/48/359927648.db2.gz LINHMWDQJRKGBM-GHMZBOCLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)n1 ZINC000087771992 359927360 /nfs/dbraw/zinc/92/73/60/359927360.db2.gz LINHMWDQJRKGBM-WDEREUQCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)n1 ZINC000087771993 359927553 /nfs/dbraw/zinc/92/75/53/359927553.db2.gz LINHMWDQJRKGBM-MNOVXSKESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)n1 ZINC000087771996 359927275 /nfs/dbraw/zinc/92/72/75/359927275.db2.gz LINHMWDQJRKGBM-QWRGUYRKSA-N 1 0 238.400 3.681 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000087772191 388713074 /nfs/dbraw/zinc/71/30/74/388713074.db2.gz XSPNWUOXFWFKCC-ZDUSSCGKSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000087772192 325640627 /nfs/dbraw/zinc/64/06/27/325640627.db2.gz XSPNWUOXFWFKCC-CYBMUJFWSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087772407 384962288 /nfs/dbraw/zinc/96/22/88/384962288.db2.gz BRHNURXTPVSDCE-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000087772409 256531567 /nfs/dbraw/zinc/53/15/67/256531567.db2.gz BRHNURXTPVSDCE-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087772415 135168060 /nfs/dbraw/zinc/16/80/60/135168060.db2.gz IOVCBNOJMIVPLI-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000087772417 135167931 /nfs/dbraw/zinc/16/79/31/135167931.db2.gz IOVCBNOJMIVPLI-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CCC(C)(C)[NH2+]Cc1coc2ccccc12 ZINC000087780710 535360800 /nfs/dbraw/zinc/36/08/00/535360800.db2.gz WEKBEOUFBRENDF-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CCC(CC)[NH2+]Cc1coc2ccccc12 ZINC000087780712 535078078 /nfs/dbraw/zinc/07/80/78/535078078.db2.gz IIAOPZIKLPJMIK-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CCCCC[NH2+]Cc1coc2ccccc12 ZINC000087780716 256572880 /nfs/dbraw/zinc/57/28/80/256572880.db2.gz HCIKAMHXIAMIFL-UHFFFAOYSA-N 1 0 217.312 3.713 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000087780718 383864562 /nfs/dbraw/zinc/86/45/62/383864562.db2.gz BFAONPDCDISGSC-LLVKDONJSA-N 1 0 217.312 3.711 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000087780720 383865566 /nfs/dbraw/zinc/86/55/66/383865566.db2.gz BFAONPDCDISGSC-NSHDSACASA-N 1 0 217.312 3.711 20 0 BHADRO CC(C)CC[NH2+]Cc1coc2ccccc12 ZINC000087780722 135168702 /nfs/dbraw/zinc/16/87/02/135168702.db2.gz UDUOLLBRRDUEMV-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000087780736 535166908 /nfs/dbraw/zinc/16/69/08/535166908.db2.gz CHROUJVJAUXYAH-LLVKDONJSA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000087780739 135168637 /nfs/dbraw/zinc/16/86/37/135168637.db2.gz CHROUJVJAUXYAH-NSHDSACASA-N 1 0 217.312 3.567 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1coc2ccccc12 ZINC000087780796 359927889 /nfs/dbraw/zinc/92/78/89/359927889.db2.gz XNIWYNORABEBMR-LLVKDONJSA-N 1 0 217.312 3.569 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1coc2ccccc12 ZINC000087780797 359927629 /nfs/dbraw/zinc/92/76/29/359927629.db2.gz XNIWYNORABEBMR-NSHDSACASA-N 1 0 217.312 3.569 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@]1(C)CCCS1 ZINC000087792674 383867241 /nfs/dbraw/zinc/86/72/41/383867241.db2.gz CAGOILKSSNPJQX-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccs1 ZINC000087792679 343661325 /nfs/dbraw/zinc/66/13/25/343661325.db2.gz XCKUQGKJPOCYQS-JQWIXIFHSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccs1 ZINC000087792680 343661253 /nfs/dbraw/zinc/66/12/53/343661253.db2.gz XCKUQGKJPOCYQS-PWSUYJOCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccs1 ZINC000087792681 343660916 /nfs/dbraw/zinc/66/09/16/343660916.db2.gz XCKUQGKJPOCYQS-CMPLNLGQSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccs1 ZINC000087792682 343661366 /nfs/dbraw/zinc/66/13/66/343661366.db2.gz XCKUQGKJPOCYQS-ZYHUDNBSSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C[C@@H]1C ZINC000087792740 383867504 /nfs/dbraw/zinc/86/75/04/383867504.db2.gz FXWHTZUQIRQBFT-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC(CCC)[NH2+]C[C@]1(C)CCCS1 ZINC000087792770 256531950 /nfs/dbraw/zinc/53/19/50/256531950.db2.gz JQAUVZQQTMLPQP-ZDUSSCGKSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@]1(C)CCCS1 ZINC000087792771 385004685 /nfs/dbraw/zinc/00/46/85/385004685.db2.gz JQAUVZQQTMLPQP-CYBMUJFWSA-N 1 0 229.433 3.831 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087792772 256532166 /nfs/dbraw/zinc/53/21/66/256532166.db2.gz PDFATZJQQFJKSM-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087792773 385004676 /nfs/dbraw/zinc/00/46/76/385004676.db2.gz PDFATZJQQFJKSM-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087792774 256532041 /nfs/dbraw/zinc/53/20/41/256532041.db2.gz PDFATZJQQFJKSM-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087792775 385004464 /nfs/dbraw/zinc/00/44/64/385004464.db2.gz PDFATZJQQFJKSM-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087792776 644503088 /nfs/dbraw/zinc/50/30/88/644503088.db2.gz RXKAWJWNJNJGSN-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087792777 644503822 /nfs/dbraw/zinc/50/38/22/644503822.db2.gz RXKAWJWNJNJGSN-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087792778 644502577 /nfs/dbraw/zinc/50/25/77/644502577.db2.gz RXKAWJWNJNJGSN-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087792779 644503457 /nfs/dbraw/zinc/50/34/57/644503457.db2.gz RXKAWJWNJNJGSN-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccsc1 ZINC000087792859 384851961 /nfs/dbraw/zinc/85/19/61/384851961.db2.gz GOHSPNZZAFFFHE-JQWIXIFHSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccsc1 ZINC000087792860 384852450 /nfs/dbraw/zinc/85/24/50/384852450.db2.gz GOHSPNZZAFFFHE-PWSUYJOCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccsc1 ZINC000087792861 384851762 /nfs/dbraw/zinc/85/17/62/384851762.db2.gz GOHSPNZZAFFFHE-CMPLNLGQSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccsc1 ZINC000087792862 384852021 /nfs/dbraw/zinc/85/20/21/384852021.db2.gz GOHSPNZZAFFFHE-ZYHUDNBSSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)C1CCCCC1 ZINC000087792959 256573463 /nfs/dbraw/zinc/57/34/63/256573463.db2.gz KANJUVHBOKOPIO-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)C1CCCCC1 ZINC000087792960 383866102 /nfs/dbraw/zinc/86/61/02/383866102.db2.gz KANJUVHBOKOPIO-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)C1CCCCC1 ZINC000087792961 383867019 /nfs/dbraw/zinc/86/70/19/383867019.db2.gz KANJUVHBOKOPIO-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)C1CCCCC1 ZINC000087792962 383867018 /nfs/dbraw/zinc/86/70/18/383867018.db2.gz KANJUVHBOKOPIO-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000087792995 256573510 /nfs/dbraw/zinc/57/35/10/256573510.db2.gz ZQFZVWBPRBZTPY-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000087792997 256573495 /nfs/dbraw/zinc/57/34/95/256573495.db2.gz ZQFZVWBPRBZTPY-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCC(C)(C)C2)CCCS1 ZINC000087793003 385003428 /nfs/dbraw/zinc/00/34/28/385003428.db2.gz BOEAFAGWMMCJOT-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCC(C)(C)C2)CCCS1 ZINC000087793004 385004120 /nfs/dbraw/zinc/00/41/20/385004120.db2.gz BOEAFAGWMMCJOT-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC(C)(C)C2)CCCS1 ZINC000087793005 385004414 /nfs/dbraw/zinc/00/44/14/385004414.db2.gz BOEAFAGWMMCJOT-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC(C)(C)C2)CCCS1 ZINC000087793006 385003960 /nfs/dbraw/zinc/00/39/60/385003960.db2.gz BOEAFAGWMMCJOT-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@]1(C)CCCS1 ZINC000087793059 385002595 /nfs/dbraw/zinc/00/25/95/385002595.db2.gz IARAFHQXHPZVHM-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@]1(C)CCCS1 ZINC000087793060 385002148 /nfs/dbraw/zinc/00/21/48/385002148.db2.gz IARAFHQXHPZVHM-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@]1(C)CCCS1 ZINC000087793061 385006286 /nfs/dbraw/zinc/00/62/86/385006286.db2.gz IARAFHQXHPZVHM-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@]1(C)CCCS1 ZINC000087793062 385006868 /nfs/dbraw/zinc/00/68/68/385006868.db2.gz IARAFHQXHPZVHM-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCCC2(C)C)CCCS1 ZINC000087793075 388713071 /nfs/dbraw/zinc/71/30/71/388713071.db2.gz SVQITZDRGIZKIG-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCCC2(C)C)CCCS1 ZINC000087793076 325641239 /nfs/dbraw/zinc/64/12/39/325641239.db2.gz SVQITZDRGIZKIG-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCCC2(C)C)CCCS1 ZINC000087793077 388712427 /nfs/dbraw/zinc/71/24/27/388712427.db2.gz SVQITZDRGIZKIG-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCCC2(C)C)CCCS1 ZINC000087793078 388712572 /nfs/dbraw/zinc/71/25/72/388712572.db2.gz SVQITZDRGIZKIG-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]1C ZINC000087793087 383867883 /nfs/dbraw/zinc/86/78/83/383867883.db2.gz XZLVPYSHRUXOLG-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCS2)o1 ZINC000087793105 383867935 /nfs/dbraw/zinc/86/79/35/383867935.db2.gz HQYXQNUMXZQACV-YPMHNXCESA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCS2)o1 ZINC000087793106 383866474 /nfs/dbraw/zinc/86/64/74/383866474.db2.gz HQYXQNUMXZQACV-AAEUAGOBSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)o1 ZINC000087793107 383867064 /nfs/dbraw/zinc/86/70/64/383867064.db2.gz HQYXQNUMXZQACV-DGCLKSJQSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)o1 ZINC000087793108 383867133 /nfs/dbraw/zinc/86/71/33/383867133.db2.gz HQYXQNUMXZQACV-WCQYABFASA-N 1 0 239.384 3.524 20 0 BHADRO C[C@H]1CC([NH2+]C[C@]2(C)CCCS2)C[C@H](C)C1 ZINC000087793147 385006073 /nfs/dbraw/zinc/00/60/73/385006073.db2.gz FRAOHCOOPWSAEO-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H](C)C1 ZINC000087793148 385007807 /nfs/dbraw/zinc/00/78/07/385007807.db2.gz DVYLKRAMHRZGJZ-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816015 256573586 /nfs/dbraw/zinc/57/35/86/256573586.db2.gz YAAWECHWTLGVTJ-CQSZACIVSA-N 1 0 228.339 3.545 20 0 BHADRO CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816016 383866290 /nfs/dbraw/zinc/86/62/90/383866290.db2.gz YAAWECHWTLGVTJ-AWEZNQCLSA-N 1 0 228.339 3.545 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816031 256573520 /nfs/dbraw/zinc/57/35/20/256573520.db2.gz UVLRULIQDDAUQW-IAQYHMDHSA-N 1 0 242.366 3.933 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816032 383867403 /nfs/dbraw/zinc/86/74/03/383867403.db2.gz UVLRULIQDDAUQW-XHDPSFHLSA-N 1 0 242.366 3.933 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816033 383867533 /nfs/dbraw/zinc/86/75/33/383867533.db2.gz UVLRULIQDDAUQW-ABAIWWIYSA-N 1 0 242.366 3.933 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816034 385088512 /nfs/dbraw/zinc/08/85/12/385088512.db2.gz UVLRULIQDDAUQW-NHYWBVRUSA-N 1 0 242.366 3.933 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816035 385088680 /nfs/dbraw/zinc/08/86/80/385088680.db2.gz CQOPSNJYCMICLS-OAHLLOKOSA-N 1 0 242.366 3.791 20 0 BHADRO CC(C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816036 385086938 /nfs/dbraw/zinc/08/69/38/385086938.db2.gz CQOPSNJYCMICLS-HNNXBMFYSA-N 1 0 242.366 3.791 20 0 BHADRO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CC1CC1 ZINC000087816043 383866865 /nfs/dbraw/zinc/86/68/65/383866865.db2.gz BHIPPZFAPSRMCM-OAHLLOKOSA-N 1 0 240.350 3.545 20 0 BHADRO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CC1CC1 ZINC000087816044 183456251 /nfs/dbraw/zinc/45/62/51/183456251.db2.gz BHIPPZFAPSRMCM-HNNXBMFYSA-N 1 0 240.350 3.545 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816061 383866883 /nfs/dbraw/zinc/86/68/83/383866883.db2.gz IUMUVLZSFQSNOJ-OAHLLOKOSA-N 1 0 242.366 3.935 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816062 383867423 /nfs/dbraw/zinc/86/74/23/383867423.db2.gz IUMUVLZSFQSNOJ-HNNXBMFYSA-N 1 0 242.366 3.935 20 0 BHADRO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CCC1 ZINC000087816449 183457664 /nfs/dbraw/zinc/45/76/64/183457664.db2.gz PFYYXMGDDZQHRD-OAHLLOKOSA-N 1 0 240.350 3.687 20 0 BHADRO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CCC1 ZINC000087816450 383867742 /nfs/dbraw/zinc/86/77/42/383867742.db2.gz PFYYXMGDDZQHRD-HNNXBMFYSA-N 1 0 240.350 3.687 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1 ZINC000087817925 491092772 /nfs/dbraw/zinc/09/27/72/491092772.db2.gz KUIXIMLYJNPRDX-OLZOCXBDSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1 ZINC000087817926 491092769 /nfs/dbraw/zinc/09/27/69/491092769.db2.gz KUIXIMLYJNPRDX-STQMWFEESA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)cc1 ZINC000087817927 491092780 /nfs/dbraw/zinc/09/27/80/491092780.db2.gz KUIXIMLYJNPRDX-CHWSQXEVSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)cc1 ZINC000087817928 491092791 /nfs/dbraw/zinc/09/27/91/491092791.db2.gz KUIXIMLYJNPRDX-QWHCGFSZSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000087959193 383822269 /nfs/dbraw/zinc/82/22/69/383822269.db2.gz HNVFJOQAXAFXJQ-LSDHHAIUSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000087959196 256534983 /nfs/dbraw/zinc/53/49/83/256534983.db2.gz HNVFJOQAXAFXJQ-HUUCEWRRSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000087959198 383822653 /nfs/dbraw/zinc/82/26/53/383822653.db2.gz HNVFJOQAXAFXJQ-GJZGRUSLSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000087959200 383822461 /nfs/dbraw/zinc/82/24/61/383822461.db2.gz HNVFJOQAXAFXJQ-CABCVRRESA-N 1 0 217.356 3.568 20 0 BHADRO CC[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC000087969056 383824474 /nfs/dbraw/zinc/82/44/74/383824474.db2.gz BIDMAUQBUFPGCB-UHFFFAOYSA-N 1 0 239.771 3.973 20 0 BHADRO CC(C)C[NH2+]Cc1cccc2ccsc21 ZINC000088038626 487699547 /nfs/dbraw/zinc/69/95/47/487699547.db2.gz FOJSLJIHWUFLHK-UHFFFAOYSA-N 1 0 219.353 3.647 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000088040965 168298892 /nfs/dbraw/zinc/29/88/92/168298892.db2.gz DUSQKPBBAWTIDT-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CC1([NH2+]Cc2ccc(F)c(Cl)c2)CCCC1 ZINC000088041005 383874943 /nfs/dbraw/zinc/87/49/43/383874943.db2.gz ZAAVPKXELPNHMW-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000088041047 256573494 /nfs/dbraw/zinc/57/34/94/256573494.db2.gz NRBNVAKGFIXPDX-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000088041050 256572948 /nfs/dbraw/zinc/57/29/48/256572948.db2.gz NRBNVAKGFIXPDX-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CC=CCC2)cc1Cl ZINC000088041074 383918027 /nfs/dbraw/zinc/91/80/27/383918027.db2.gz UAGVXBGSSITNTJ-NSHDSACASA-N 1 0 239.721 3.677 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1Cl ZINC000088041078 383917546 /nfs/dbraw/zinc/91/75/46/383917546.db2.gz UAGVXBGSSITNTJ-LLVKDONJSA-N 1 0 239.721 3.677 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000088073124 383981135 /nfs/dbraw/zinc/98/11/35/383981135.db2.gz OBJSFVSCDAYVAU-NSHDSACASA-N 1 0 247.338 3.892 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000088073125 383982595 /nfs/dbraw/zinc/98/25/95/383982595.db2.gz OBJSFVSCDAYVAU-LLVKDONJSA-N 1 0 247.338 3.892 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSc2ccccc2)[C@@H]1C ZINC000088077833 384007301 /nfs/dbraw/zinc/00/73/01/384007301.db2.gz WRBXGUJMIKKRRJ-ZIAGYGMSSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCSc1ccccc1 ZINC000088077834 384008226 /nfs/dbraw/zinc/00/82/26/384008226.db2.gz WRBXGUJMIKKRRJ-UONOGXRCSA-N 1 0 249.423 3.899 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1ccc(OC)cc1 ZINC000088102265 343950912 /nfs/dbraw/zinc/95/09/12/343950912.db2.gz PHCUYCYOBNAEBB-UHFFFAOYSA-N 1 0 249.398 3.796 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000088116826 383879839 /nfs/dbraw/zinc/87/98/39/383879839.db2.gz SSYXZPPRWSBUGR-VXNVDRBHSA-N 1 0 229.776 3.777 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000088116836 383881148 /nfs/dbraw/zinc/88/11/48/383881148.db2.gz SSYXZPPRWSBUGR-IONNQARKSA-N 1 0 229.776 3.777 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088116838 259332098 /nfs/dbraw/zinc/33/20/98/259332098.db2.gz SSYXZPPRWSBUGR-APPZFPTMSA-N 1 0 229.776 3.777 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088116840 259332125 /nfs/dbraw/zinc/33/21/25/259332125.db2.gz SSYXZPPRWSBUGR-CBAPKCEASA-N 1 0 229.776 3.777 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000088116843 259332294 /nfs/dbraw/zinc/33/22/94/259332294.db2.gz KZJLGPZEFAZQGA-SECBINFHSA-N 1 0 229.776 3.634 20 0 BHADRO CC(C)C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088116845 259332056 /nfs/dbraw/zinc/33/20/56/259332056.db2.gz KZJLGPZEFAZQGA-VIFPVBQESA-N 1 0 229.776 3.634 20 0 BHADRO Clc1cc2c(s1)CC[C@@H]2[NH2+]C1CCCC1 ZINC000088116847 259332019 /nfs/dbraw/zinc/33/20/19/259332019.db2.gz ACHUIVJFCHMGPV-JTQLQIEISA-N 1 0 241.787 3.921 20 0 BHADRO Clc1cc2c(s1)CC[C@H]2[NH2+]C1CCCC1 ZINC000088116849 259332054 /nfs/dbraw/zinc/33/20/54/259332054.db2.gz ACHUIVJFCHMGPV-SNVBAGLBSA-N 1 0 241.787 3.921 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)C1CC1 ZINC000088117014 383880855 /nfs/dbraw/zinc/88/08/55/383880855.db2.gz ZKZWRHXVFDZSKD-OIBJUYFYSA-N 1 0 241.787 3.777 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)C1CC1 ZINC000088117016 259332049 /nfs/dbraw/zinc/33/20/49/259332049.db2.gz ZKZWRHXVFDZSKD-GMSGAONNSA-N 1 0 241.787 3.777 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)C1CC1 ZINC000088117018 259332106 /nfs/dbraw/zinc/33/21/06/259332106.db2.gz ZKZWRHXVFDZSKD-XVKPBYJWSA-N 1 0 241.787 3.777 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)C1CC1 ZINC000088117020 259332220 /nfs/dbraw/zinc/33/22/20/259332220.db2.gz ZKZWRHXVFDZSKD-XCBNKYQSSA-N 1 0 241.787 3.777 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000088131725 322963990 /nfs/dbraw/zinc/96/39/90/322963990.db2.gz PQBBBCSEJUZMCL-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000088131726 322963958 /nfs/dbraw/zinc/96/39/58/322963958.db2.gz PQBBBCSEJUZMCL-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000088131727 259333472 /nfs/dbraw/zinc/33/34/72/259333472.db2.gz PQBBBCSEJUZMCL-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000088131728 259333250 /nfs/dbraw/zinc/33/32/50/259333250.db2.gz PQBBBCSEJUZMCL-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CSCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000088131745 343708713 /nfs/dbraw/zinc/70/87/13/343708713.db2.gz PTTCRLZPCKLXAJ-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131746 386322060 /nfs/dbraw/zinc/32/20/60/386322060.db2.gz PTTCRLZPCKLXAJ-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000088131747 133550521 /nfs/dbraw/zinc/55/05/21/133550521.db2.gz PTTCRLZPCKLXAJ-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131748 386321885 /nfs/dbraw/zinc/32/18/85/386321885.db2.gz PTTCRLZPCKLXAJ-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000088131861 322963950 /nfs/dbraw/zinc/96/39/50/322963950.db2.gz CESBASYWXRXZBZ-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000088131863 383880525 /nfs/dbraw/zinc/88/05/25/383880525.db2.gz CESBASYWXRXZBZ-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)C)c1 ZINC000088139581 383881158 /nfs/dbraw/zinc/88/11/58/383881158.db2.gz MBARSVOTSORCOE-UHFFFAOYSA-N 1 0 211.736 3.537 20 0 BHADRO CCCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000088139585 256546531 /nfs/dbraw/zinc/54/65/31/256546531.db2.gz RNEMDAOKEYEQND-UHFFFAOYSA-N 1 0 211.736 3.538 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2CCCC2)c1 ZINC000088139587 410029650 /nfs/dbraw/zinc/02/96/50/410029650.db2.gz BNQLMQVIDHYFOQ-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]Cc2ccco2)c1 ZINC000088139594 351630076 /nfs/dbraw/zinc/63/00/76/351630076.db2.gz IMXLVRDXXCWUPQ-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000088139605 398182453 /nfs/dbraw/zinc/18/24/53/398182453.db2.gz OOAHPFMSMBGCLJ-SNVBAGLBSA-N 1 0 211.736 3.537 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000088139606 385047041 /nfs/dbraw/zinc/04/70/41/385047041.db2.gz OOAHPFMSMBGCLJ-JTQLQIEISA-N 1 0 211.736 3.537 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000088161900 566287732 /nfs/dbraw/zinc/28/77/32/566287732.db2.gz PQQUQFYXUGPQNP-BZPMIXESSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000088161901 384233679 /nfs/dbraw/zinc/23/36/79/384233679.db2.gz PQQUQFYXUGPQNP-SCRDCRAPSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000088161902 384234103 /nfs/dbraw/zinc/23/41/03/384234103.db2.gz PQQUQFYXUGPQNP-YRGRVCCFSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000088161903 384233608 /nfs/dbraw/zinc/23/36/08/384233608.db2.gz PQQUQFYXUGPQNP-OUCADQQQSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000088161904 176234254 /nfs/dbraw/zinc/23/42/54/176234254.db2.gz XWNKRBMYPYDILL-BZPMIXESSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000088161905 384234063 /nfs/dbraw/zinc/23/40/63/384234063.db2.gz XWNKRBMYPYDILL-SCRDCRAPSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000088161906 176213953 /nfs/dbraw/zinc/21/39/53/176213953.db2.gz XWNKRBMYPYDILL-YRGRVCCFSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000088161907 384233588 /nfs/dbraw/zinc/23/35/88/384233588.db2.gz XWNKRBMYPYDILL-OUCADQQQSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000088161908 384234000 /nfs/dbraw/zinc/23/40/00/384234000.db2.gz PXEVECSHSZZQEI-JHJVBQTASA-N 1 0 205.345 3.772 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000088161910 384233716 /nfs/dbraw/zinc/23/37/16/384233716.db2.gz PXEVECSHSZZQEI-FRRDWIJNSA-N 1 0 205.345 3.772 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000088161916 384783816 /nfs/dbraw/zinc/78/38/16/384783816.db2.gz UBIBYOPVQZPBPZ-NFAWXSAZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000088161917 384781191 /nfs/dbraw/zinc/78/11/91/384781191.db2.gz UBIBYOPVQZPBPZ-GUTXKFCHSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000088161918 256546569 /nfs/dbraw/zinc/54/65/69/256546569.db2.gz UBIBYOPVQZPBPZ-UMVBOHGHSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000088161919 384782822 /nfs/dbraw/zinc/78/28/22/384782822.db2.gz UBIBYOPVQZPBPZ-GZBFAFLISA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000088161937 256574244 /nfs/dbraw/zinc/57/42/44/256574244.db2.gz NWNOVXBCKUBZOZ-IPYPFGDCSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000088161954 641318864 /nfs/dbraw/zinc/31/88/64/641318864.db2.gz FNDXBENXSMTDCN-GYSYKLTISA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000088161956 641319627 /nfs/dbraw/zinc/31/96/27/641319627.db2.gz FNDXBENXSMTDCN-JTNHKYCSSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000088161959 383883594 /nfs/dbraw/zinc/88/35/94/383883594.db2.gz DFHWXMKKQXWNIW-QJPTWQEYSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000088161961 256574339 /nfs/dbraw/zinc/57/43/39/256574339.db2.gz DFHWXMKKQXWNIW-SDDRHHMPSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000088161994 256574261 /nfs/dbraw/zinc/57/42/61/256574261.db2.gz JEIQMPYAFGFAOD-VNHYZAJKSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000088161995 256574016 /nfs/dbraw/zinc/57/40/16/256574016.db2.gz JEIQMPYAFGFAOD-IPYPFGDCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000088161996 256574248 /nfs/dbraw/zinc/57/42/48/256574248.db2.gz HFFUZOLIZZEARX-VNHYZAJKSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000088161997 256574164 /nfs/dbraw/zinc/57/41/64/256574164.db2.gz HFFUZOLIZZEARX-IPYPFGDCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cc1 ZINC000088161998 384234412 /nfs/dbraw/zinc/23/44/12/384234412.db2.gz TZSKTYJHJOVSTE-MBNYWOFBSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cc1 ZINC000088161999 384233937 /nfs/dbraw/zinc/23/39/37/384233937.db2.gz TZSKTYJHJOVSTE-DYEKYZERSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000088162092 641318666 /nfs/dbraw/zinc/31/86/66/641318666.db2.gz XZNAVQJJZKHNDD-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000088162093 641319480 /nfs/dbraw/zinc/31/94/80/641319480.db2.gz XZNAVQJJZKHNDD-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000088162117 383883139 /nfs/dbraw/zinc/88/31/39/383883139.db2.gz QWWIKFNKWJSCHU-TZMCWYRMSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000088162118 256574197 /nfs/dbraw/zinc/57/41/97/256574197.db2.gz QWWIKFNKWJSCHU-OCCSQVGLSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CCSCC2)c1 ZINC000088162127 179180844 /nfs/dbraw/zinc/18/08/44/179180844.db2.gz WUINLKLYLIMHPL-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000088162142 641319521 /nfs/dbraw/zinc/31/95/21/641319521.db2.gz XZNAVQJJZKHNDD-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000088162143 641318686 /nfs/dbraw/zinc/31/86/86/641318686.db2.gz XZNAVQJJZKHNDD-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000088162145 383883317 /nfs/dbraw/zinc/88/33/17/383883317.db2.gz ORPFYWUGFHCYJH-VNHYZAJKSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000088162146 383883553 /nfs/dbraw/zinc/88/35/53/383883553.db2.gz ORPFYWUGFHCYJH-IPYPFGDCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000088162147 383883601 /nfs/dbraw/zinc/88/36/01/383883601.db2.gz KWZZESMXRDKWET-KCQAQPDRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000088162148 256574190 /nfs/dbraw/zinc/57/41/90/256574190.db2.gz KWZZESMXRDKWET-YDHLFZDLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000088162149 384234328 /nfs/dbraw/zinc/23/43/28/384234328.db2.gz KWZZESMXRDKWET-VNHYZAJKSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000088162150 384234111 /nfs/dbraw/zinc/23/41/11/384234111.db2.gz KWZZESMXRDKWET-IPYPFGDCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000088162163 256574161 /nfs/dbraw/zinc/57/41/61/256574161.db2.gz QWWIKFNKWJSCHU-GXTWGEPZSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000088162164 256573881 /nfs/dbraw/zinc/57/38/81/256573881.db2.gz QWWIKFNKWJSCHU-JSGCOSHPSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000088162169 384234031 /nfs/dbraw/zinc/23/40/31/384234031.db2.gz ALNYYBMGVNBWNB-SGMGOOAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000088162170 256546614 /nfs/dbraw/zinc/54/66/14/256546614.db2.gz ALNYYBMGVNBWNB-OBJOEFQTSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000088162171 256546619 /nfs/dbraw/zinc/54/66/19/256546619.db2.gz ALNYYBMGVNBWNB-MBNYWOFBSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000088162172 384233682 /nfs/dbraw/zinc/23/36/82/384233682.db2.gz ALNYYBMGVNBWNB-DYEKYZERSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CCSCC2)c1 ZINC000088162173 179194497 /nfs/dbraw/zinc/19/44/97/179194497.db2.gz WUINLKLYLIMHPL-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000088162368 641319207 /nfs/dbraw/zinc/31/92/07/641319207.db2.gz WQIYBGJQDCTKCR-GYSYKLTISA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000088162370 641319558 /nfs/dbraw/zinc/31/95/58/641319558.db2.gz WQIYBGJQDCTKCR-JTNHKYCSSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000088162373 410088844 /nfs/dbraw/zinc/08/88/44/410088844.db2.gz XVRUNWIXHXTVHR-QJPTWQEYSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000088162375 398293685 /nfs/dbraw/zinc/29/36/85/398293685.db2.gz XVRUNWIXHXTVHR-SDDRHHMPSA-N 1 0 223.335 3.911 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000088162526 487707833 /nfs/dbraw/zinc/70/78/33/487707833.db2.gz MBZACDHFOBFYKI-JHJVBQTASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000088162527 487707570 /nfs/dbraw/zinc/70/75/70/487707570.db2.gz MBZACDHFOBFYKI-UPJWGTAASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000088162530 256574162 /nfs/dbraw/zinc/57/41/62/256574162.db2.gz NARONXLSCAPNSI-VNHYZAJKSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000088162531 256574014 /nfs/dbraw/zinc/57/40/14/256574014.db2.gz NARONXLSCAPNSI-IPYPFGDCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000088162532 398293811 /nfs/dbraw/zinc/29/38/11/398293811.db2.gz HIBBQZHFXJGRAP-KWCYVHTRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000088162533 256574374 /nfs/dbraw/zinc/57/43/74/256574374.db2.gz HIBBQZHFXJGRAP-XBFCOCLRSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000088162538 359939529 /nfs/dbraw/zinc/93/95/29/359939529.db2.gz MBZACDHFOBFYKI-FRRDWIJNSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000088162539 359939712 /nfs/dbraw/zinc/93/97/12/359939712.db2.gz MBZACDHFOBFYKI-AGIUHOORSA-N 1 0 235.396 3.540 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1F ZINC000088162560 641318803 /nfs/dbraw/zinc/31/88/03/641318803.db2.gz NNDARAQJJIHVSQ-UTUOFQBUSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1F ZINC000088162562 641319664 /nfs/dbraw/zinc/31/96/64/641319664.db2.gz NNDARAQJJIHVSQ-IJLUTSLNSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000088162565 398293633 /nfs/dbraw/zinc/29/36/33/398293633.db2.gz OPHIRHZSEKJHPM-QJPTWQEYSA-N 1 0 223.335 3.911 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000088162567 256573879 /nfs/dbraw/zinc/57/38/79/256573879.db2.gz OPHIRHZSEKJHPM-SDDRHHMPSA-N 1 0 223.335 3.911 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)C1CCCCC1 ZINC000088162804 490287661 /nfs/dbraw/zinc/28/76/61/490287661.db2.gz VTLXDRZCUVDZFX-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCCCC1 ZINC000088162806 490287650 /nfs/dbraw/zinc/28/76/50/490287650.db2.gz VTLXDRZCUVDZFX-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000088162808 410032054 /nfs/dbraw/zinc/03/20/54/410032054.db2.gz ISJCUNDENZBHJU-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000088162810 410031856 /nfs/dbraw/zinc/03/18/56/410031856.db2.gz ISJCUNDENZBHJU-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000088162921 410031876 /nfs/dbraw/zinc/03/18/76/410031876.db2.gz JLZLVUPOHPFHSC-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000088162923 256546611 /nfs/dbraw/zinc/54/66/11/256546611.db2.gz JLZLVUPOHPFHSC-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000088162952 256546493 /nfs/dbraw/zinc/54/64/93/256546493.db2.gz VTRUWVGZQVNNAL-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000088162954 256546542 /nfs/dbraw/zinc/54/65/42/256546542.db2.gz VTRUWVGZQVNNAL-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CSCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000088163101 256546521 /nfs/dbraw/zinc/54/65/21/256546521.db2.gz NOCBRVDQKOFYIH-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+]Cc1cscn1)C1CCCCCC1 ZINC000088163112 398294019 /nfs/dbraw/zinc/29/40/19/398294019.db2.gz BROPUUOBBCANHM-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)C1CCCCCC1 ZINC000088163136 398186987 /nfs/dbraw/zinc/18/69/87/398186987.db2.gz JYRAGFIOSDSCFC-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCSC1)C1CCCCCC1 ZINC000088163141 256546056 /nfs/dbraw/zinc/54/60/56/256546056.db2.gz CIBBUBKVQJPBOF-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCSC1)C1CCCCCC1 ZINC000088163142 398187030 /nfs/dbraw/zinc/18/70/30/398187030.db2.gz CIBBUBKVQJPBOF-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)C1CCCCCC1 ZINC000088163160 398294010 /nfs/dbraw/zinc/29/40/10/398294010.db2.gz DGJKCWPRZBYRLS-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)C1CCCCCC1 ZINC000088163166 256574171 /nfs/dbraw/zinc/57/41/71/256574171.db2.gz JFRSZODWGXAYFW-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)C1CCCCCC1 ZINC000088163169 398186994 /nfs/dbraw/zinc/18/69/94/398186994.db2.gz MOCNKZTZJKOLHA-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]([NH2+]Cc1nccs1)C1CCCCCC1 ZINC000088163170 351676907 /nfs/dbraw/zinc/67/69/07/351676907.db2.gz XSJDZGZPZWUMTP-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO CSCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000088163210 642503972 /nfs/dbraw/zinc/50/39/72/642503972.db2.gz NOCBRVDQKOFYIH-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H]([NH2+]Cc1cscn1)C1CCCCCC1 ZINC000088163221 398293635 /nfs/dbraw/zinc/29/36/35/398293635.db2.gz BROPUUOBBCANHM-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)C1CCCCCC1 ZINC000088163245 642503656 /nfs/dbraw/zinc/50/36/56/642503656.db2.gz JYRAGFIOSDSCFC-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCSC1)C1CCCCCC1 ZINC000088163250 384235193 /nfs/dbraw/zinc/23/51/93/384235193.db2.gz CIBBUBKVQJPBOF-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCSC1)C1CCCCCC1 ZINC000088163251 384235295 /nfs/dbraw/zinc/23/52/95/384235295.db2.gz CIBBUBKVQJPBOF-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C1CCSCC1)C1CCCCCC1 ZINC000088169053 384264400 /nfs/dbraw/zinc/26/44/00/384264400.db2.gz DGJKCWPRZBYRLS-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)C1CCCCCC1 ZINC000088169059 256574099 /nfs/dbraw/zinc/57/40/99/256574099.db2.gz JFRSZODWGXAYFW-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)C1CCCCCC1 ZINC000088169062 384263618 /nfs/dbraw/zinc/26/36/18/384263618.db2.gz MOCNKZTZJKOLHA-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]([NH2+]Cc1nccs1)C1CCCCCC1 ZINC000088169063 133551660 /nfs/dbraw/zinc/55/16/60/133551660.db2.gz XSJDZGZPZWUMTP-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)C1CCCCCC1 ZINC000088169150 398294153 /nfs/dbraw/zinc/29/41/53/398294153.db2.gz WFULKROKFSJUPO-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)C1CCCCCC1 ZINC000088169245 384263860 /nfs/dbraw/zinc/26/38/60/384263860.db2.gz WFULKROKFSJUPO-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccs1 ZINC000088169385 176234640 /nfs/dbraw/zinc/23/46/40/176234640.db2.gz NBCOXWLNCWHWQR-MXWKQRLJSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccs1 ZINC000088169387 176214671 /nfs/dbraw/zinc/21/46/71/176214671.db2.gz NBCOXWLNCWHWQR-GMTAPVOTSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000088169395 384264357 /nfs/dbraw/zinc/26/43/57/384264357.db2.gz JODKPEFQDXBWHN-UTUOFQBUSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000088169397 384264683 /nfs/dbraw/zinc/26/46/83/384264683.db2.gz JODKPEFQDXBWHN-IJLUTSLNSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000088169400 384262696 /nfs/dbraw/zinc/26/26/96/384262696.db2.gz WRDKOSNZZVPOSW-HBNTYKKESA-N 1 0 211.374 3.833 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000088169402 384262620 /nfs/dbraw/zinc/26/26/20/384262620.db2.gz WRDKOSNZZVPOSW-GARJFASQSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000088169597 135517234 /nfs/dbraw/zinc/51/72/34/135517234.db2.gz KZNYBXMFPSLVNP-UTUOFQBUSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000088169599 135517350 /nfs/dbraw/zinc/51/73/50/135517350.db2.gz KZNYBXMFPSLVNP-IJLUTSLNSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccco1 ZINC000088169601 398294122 /nfs/dbraw/zinc/29/41/22/398294122.db2.gz XOTXYCBIFZDCBT-UPJWGTAASA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000088169603 384262199 /nfs/dbraw/zinc/26/21/99/384262199.db2.gz XOTXYCBIFZDCBT-JHJVBQTASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccco1 ZINC000088169609 135516984 /nfs/dbraw/zinc/51/69/84/135516984.db2.gz VYLBTJXOJMIREJ-UPJWGTAASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccco1 ZINC000088169611 359939116 /nfs/dbraw/zinc/93/91/16/359939116.db2.gz VYLBTJXOJMIREJ-JHJVBQTASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccco1 ZINC000088169627 135516791 /nfs/dbraw/zinc/51/67/91/135516791.db2.gz OCLBVFBPQNJYFI-IJLUTSLNSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccco1 ZINC000088169632 359939524 /nfs/dbraw/zinc/93/95/24/359939524.db2.gz NCZODRVKODKFFD-LPWJVIDDSA-N 1 0 221.344 3.755 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000088169640 256574399 /nfs/dbraw/zinc/57/43/99/256574399.db2.gz GWZMSJPNTKNOAY-UPJWGTAASA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000088169642 398293800 /nfs/dbraw/zinc/29/38/00/398293800.db2.gz GWZMSJPNTKNOAY-JHJVBQTASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000088169648 256547277 /nfs/dbraw/zinc/54/72/77/256547277.db2.gz YSTIGZYMZRWLBS-UPJWGTAASA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000088169650 384262877 /nfs/dbraw/zinc/26/28/77/384262877.db2.gz YSTIGZYMZRWLBS-JHJVBQTASA-N 1 0 221.344 3.757 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000088182663 383886464 /nfs/dbraw/zinc/88/64/64/383886464.db2.gz XOXQWVWYPHCXJB-ZIAGYGMSSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000088182664 259333690 /nfs/dbraw/zinc/33/36/90/259333690.db2.gz XOXQWVWYPHCXJB-KGLIPLIRSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000088182665 259333969 /nfs/dbraw/zinc/33/39/69/259333969.db2.gz XOXQWVWYPHCXJB-UONOGXRCSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000088182666 259334074 /nfs/dbraw/zinc/33/40/74/259334074.db2.gz XOXQWVWYPHCXJB-KBPBESRZSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)s1 ZINC000088195019 383886521 /nfs/dbraw/zinc/88/65/21/383886521.db2.gz JOGCESGESNUVBI-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)s1 ZINC000088195020 383885369 /nfs/dbraw/zinc/88/53/69/383885369.db2.gz JOGCESGESNUVBI-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)s1 ZINC000088195021 383886507 /nfs/dbraw/zinc/88/65/07/383886507.db2.gz JOGCESGESNUVBI-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)s1 ZINC000088195022 383886756 /nfs/dbraw/zinc/88/67/56/383886756.db2.gz JOGCESGESNUVBI-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000088195070 256548923 /nfs/dbraw/zinc/54/89/23/256548923.db2.gz SRBNPXVXRISCDP-NEPJUHHUSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000088195071 631300553 /nfs/dbraw/zinc/30/05/53/631300553.db2.gz SRBNPXVXRISCDP-RYUDHWBXSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000088195072 631301034 /nfs/dbraw/zinc/30/10/34/631301034.db2.gz SRBNPXVXRISCDP-VXGBXAGGSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000088195074 398244732 /nfs/dbraw/zinc/24/47/32/398244732.db2.gz SRBNPXVXRISCDP-NWDGAFQWSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000088195155 383884515 /nfs/dbraw/zinc/88/45/15/383884515.db2.gz SXLPCJMDDPTYEU-ILXRZTDVSA-N 1 0 221.388 3.759 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000088195157 383886557 /nfs/dbraw/zinc/88/65/57/383886557.db2.gz SXLPCJMDDPTYEU-QLFBSQMISA-N 1 0 221.388 3.759 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)o1 ZINC000088195160 359941569 /nfs/dbraw/zinc/94/15/69/359941569.db2.gz OYTYYZAUVASSQU-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)o1 ZINC000088195161 135517277 /nfs/dbraw/zinc/51/72/77/135517277.db2.gz OYTYYZAUVASSQU-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)o1 ZINC000088195162 359941578 /nfs/dbraw/zinc/94/15/78/359941578.db2.gz OYTYYZAUVASSQU-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)o1 ZINC000088195163 135517342 /nfs/dbraw/zinc/51/73/42/135517342.db2.gz OYTYYZAUVASSQU-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000088195210 343710976 /nfs/dbraw/zinc/71/09/76/343710976.db2.gz HNUCPQNYWNTJHU-NEPJUHHUSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000088195212 343711199 /nfs/dbraw/zinc/71/11/99/343711199.db2.gz HNUCPQNYWNTJHU-RYUDHWBXSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000088195213 351708213 /nfs/dbraw/zinc/70/82/13/351708213.db2.gz HNUCPQNYWNTJHU-VXGBXAGGSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000088195214 351708225 /nfs/dbraw/zinc/70/82/25/351708225.db2.gz HNUCPQNYWNTJHU-NWDGAFQWSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000088195223 256549025 /nfs/dbraw/zinc/54/90/25/256549025.db2.gz FUDGNIYDYZEWRV-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000088195224 256548580 /nfs/dbraw/zinc/54/85/80/256548580.db2.gz FUDGNIYDYZEWRV-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000088195225 256548587 /nfs/dbraw/zinc/54/85/87/256548587.db2.gz FUDGNIYDYZEWRV-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000088195226 631300173 /nfs/dbraw/zinc/30/01/73/631300173.db2.gz FUDGNIYDYZEWRV-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000088195273 383884895 /nfs/dbraw/zinc/88/48/95/383884895.db2.gz SKHXNKXCWCEYRB-HIFRSBDPSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000088195274 383886185 /nfs/dbraw/zinc/88/61/85/383886185.db2.gz SKHXNKXCWCEYRB-ZFWWWQNUSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000088195275 383886786 /nfs/dbraw/zinc/88/67/86/383886786.db2.gz SKHXNKXCWCEYRB-UKRRQHHQSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000088195276 383886528 /nfs/dbraw/zinc/88/65/28/383886528.db2.gz SKHXNKXCWCEYRB-DZGCQCFKSA-N 1 0 217.356 3.603 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000088195314 256573926 /nfs/dbraw/zinc/57/39/26/256573926.db2.gz ATEXBJRBJQQGAQ-OCCSQVGLSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000088195315 383886514 /nfs/dbraw/zinc/88/65/14/383886514.db2.gz ATEXBJRBJQQGAQ-JSGCOSHPSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000088195316 383885119 /nfs/dbraw/zinc/88/51/19/383885119.db2.gz ATEXBJRBJQQGAQ-TZMCWYRMSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000088195317 383885390 /nfs/dbraw/zinc/88/53/90/383885390.db2.gz ATEXBJRBJQQGAQ-GXTWGEPZSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cc1 ZINC000088195358 491125445 /nfs/dbraw/zinc/12/54/45/491125445.db2.gz PGDHONALRSJNDK-HIFRSBDPSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cc1 ZINC000088195359 491125452 /nfs/dbraw/zinc/12/54/52/491125452.db2.gz PGDHONALRSJNDK-ZFWWWQNUSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000088195360 491125446 /nfs/dbraw/zinc/12/54/46/491125446.db2.gz PGDHONALRSJNDK-UKRRQHHQSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cc1 ZINC000088195361 631297988 /nfs/dbraw/zinc/29/79/88/631297988.db2.gz PGDHONALRSJNDK-DZGCQCFKSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC000088195408 398243535 /nfs/dbraw/zinc/24/35/35/398243535.db2.gz WXTWZMYNJQMFNU-KGLIPLIRSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC000088195409 256547909 /nfs/dbraw/zinc/54/79/09/256547909.db2.gz WXTWZMYNJQMFNU-KBPBESRZSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000088195410 256548103 /nfs/dbraw/zinc/54/81/03/256548103.db2.gz WXTWZMYNJQMFNU-ZIAGYGMSSA-N 1 0 247.382 3.611 20 0 BHADRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC000088195411 398243558 /nfs/dbraw/zinc/24/35/58/398243558.db2.gz WXTWZMYNJQMFNU-UONOGXRCSA-N 1 0 247.382 3.611 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000088195412 398243532 /nfs/dbraw/zinc/24/35/32/398243532.db2.gz OFMMLZREPOJSEN-OLZOCXBDSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000088195413 398243409 /nfs/dbraw/zinc/24/34/09/398243409.db2.gz OFMMLZREPOJSEN-STQMWFEESA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000088195414 256548205 /nfs/dbraw/zinc/54/82/05/256548205.db2.gz OFMMLZREPOJSEN-CHWSQXEVSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000088195415 256547911 /nfs/dbraw/zinc/54/79/11/256547911.db2.gz OFMMLZREPOJSEN-QWHCGFSZSA-N 1 0 235.346 3.742 20 0 BHADRO COc1ccccc1C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000088195416 398243593 /nfs/dbraw/zinc/24/35/93/398243593.db2.gz WSMYCFKEMDZDCX-KGLIPLIRSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000088195417 398243490 /nfs/dbraw/zinc/24/34/90/398243490.db2.gz WSMYCFKEMDZDCX-KBPBESRZSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000088195418 398243500 /nfs/dbraw/zinc/24/35/00/398243500.db2.gz WSMYCFKEMDZDCX-ZIAGYGMSSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccccc1C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000088195419 398243548 /nfs/dbraw/zinc/24/35/48/398243548.db2.gz WSMYCFKEMDZDCX-UONOGXRCSA-N 1 0 247.382 3.611 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000088195712 398244199 /nfs/dbraw/zinc/24/41/99/398244199.db2.gz QXWSWQRVVSNLLQ-OLZOCXBDSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000088195713 398244409 /nfs/dbraw/zinc/24/44/09/398244409.db2.gz QXWSWQRVVSNLLQ-STQMWFEESA-N 1 0 235.346 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000088195714 398244402 /nfs/dbraw/zinc/24/44/02/398244402.db2.gz QXWSWQRVVSNLLQ-CHWSQXEVSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000088195715 256548942 /nfs/dbraw/zinc/54/89/42/256548942.db2.gz QXWSWQRVVSNLLQ-QWHCGFSZSA-N 1 0 235.346 3.742 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1F ZINC000088250151 359942079 /nfs/dbraw/zinc/94/20/79/359942079.db2.gz DWELAZHOYDTFSK-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1F ZINC000088250152 359942943 /nfs/dbraw/zinc/94/29/43/359942943.db2.gz DWELAZHOYDTFSK-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)o1 ZINC000088255087 359942623 /nfs/dbraw/zinc/94/26/23/359942623.db2.gz ICAZUBCDIJVBLH-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000088255088 135518020 /nfs/dbraw/zinc/51/80/20/135518020.db2.gz ICAZUBCDIJVBLH-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000088292658 411283210 /nfs/dbraw/zinc/28/32/10/411283210.db2.gz NYXJSVQDTMVGJA-GHMZBOCLSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000088292660 411283297 /nfs/dbraw/zinc/28/32/97/411283297.db2.gz NYXJSVQDTMVGJA-WDEREUQCSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000088292662 411284108 /nfs/dbraw/zinc/28/41/08/411284108.db2.gz NYXJSVQDTMVGJA-MNOVXSKESA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000088292665 344238732 /nfs/dbraw/zinc/23/87/32/344238732.db2.gz NYXJSVQDTMVGJA-QWRGUYRKSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000088292684 383892429 /nfs/dbraw/zinc/89/24/29/383892429.db2.gz PDSNVKBJKYRBPA-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000088292688 384547736 /nfs/dbraw/zinc/54/77/36/384547736.db2.gz PDSNVKBJKYRBPA-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000088292689 384547664 /nfs/dbraw/zinc/54/76/64/384547664.db2.gz PDSNVKBJKYRBPA-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000088292692 384548270 /nfs/dbraw/zinc/54/82/70/384548270.db2.gz PDSNVKBJKYRBPA-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000088292734 256574189 /nfs/dbraw/zinc/57/41/89/256574189.db2.gz REVGKEBPYVCDJS-GHMZBOCLSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000088292735 256591880 /nfs/dbraw/zinc/59/18/80/256591880.db2.gz REVGKEBPYVCDJS-WDEREUQCSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000088292737 384546378 /nfs/dbraw/zinc/54/63/78/384546378.db2.gz REVGKEBPYVCDJS-MNOVXSKESA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000088292740 384547597 /nfs/dbraw/zinc/54/75/97/384547597.db2.gz REVGKEBPYVCDJS-QWRGUYRKSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000088293966 256591953 /nfs/dbraw/zinc/59/19/53/256591953.db2.gz YDOLNLRHPJGXMA-TZMCWYRMSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000088293968 384555083 /nfs/dbraw/zinc/55/50/83/384555083.db2.gz YDOLNLRHPJGXMA-GXTWGEPZSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000088293971 384556211 /nfs/dbraw/zinc/55/62/11/384556211.db2.gz YDOLNLRHPJGXMA-OCCSQVGLSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000088293973 256591966 /nfs/dbraw/zinc/59/19/66/256591966.db2.gz YDOLNLRHPJGXMA-JSGCOSHPSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000088294298 384555272 /nfs/dbraw/zinc/55/52/72/384555272.db2.gz CRVFBDNDSJIUCB-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000088294300 256591959 /nfs/dbraw/zinc/59/19/59/256591959.db2.gz CRVFBDNDSJIUCB-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000088294302 384555789 /nfs/dbraw/zinc/55/57/89/384555789.db2.gz CRVFBDNDSJIUCB-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000088294303 384555863 /nfs/dbraw/zinc/55/58/63/384555863.db2.gz CRVFBDNDSJIUCB-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)CC)cc1 ZINC000088294311 256591883 /nfs/dbraw/zinc/59/18/83/256591883.db2.gz SAKQGKWMONCZMZ-ZIAGYGMSSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)CC)cc1 ZINC000088294314 384556118 /nfs/dbraw/zinc/55/61/18/384556118.db2.gz SAKQGKWMONCZMZ-UONOGXRCSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)CC)cc1 ZINC000088294317 384556273 /nfs/dbraw/zinc/55/62/73/384556273.db2.gz SAKQGKWMONCZMZ-KGLIPLIRSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)CC)cc1 ZINC000088294320 384556199 /nfs/dbraw/zinc/55/61/99/384556199.db2.gz SAKQGKWMONCZMZ-KBPBESRZSA-N 1 0 249.398 4.000 20 0 BHADRO c1coc(C[NH2+]CC2CCCCCCC2)c1 ZINC000088294338 644516572 /nfs/dbraw/zinc/51/65/72/644516572.db2.gz WORDMBSBRLANJE-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO C([NH2+]C1CCCC1)C1CCCCCCC1 ZINC000088294345 644516579 /nfs/dbraw/zinc/51/65/79/644516579.db2.gz QIMCLSGJXPGTMI-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000088294394 384554904 /nfs/dbraw/zinc/55/49/04/384554904.db2.gz YKSGLNIXDMBJBR-XQQFMLRXSA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000088294397 384555732 /nfs/dbraw/zinc/55/57/32/384555732.db2.gz YKSGLNIXDMBJBR-AVGNSLFASA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000088294561 256573929 /nfs/dbraw/zinc/57/39/29/256573929.db2.gz DLKCMQYVKXMNIL-CHWSQXEVSA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000088294562 383893206 /nfs/dbraw/zinc/89/32/06/383893206.db2.gz DLKCMQYVKXMNIL-QWHCGFSZSA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000088294564 383893099 /nfs/dbraw/zinc/89/30/99/383893099.db2.gz DLKCMQYVKXMNIL-OLZOCXBDSA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000088294566 383891373 /nfs/dbraw/zinc/89/13/73/383891373.db2.gz DLKCMQYVKXMNIL-STQMWFEESA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000088296009 363015478 /nfs/dbraw/zinc/01/54/78/363015478.db2.gz IISYRSJWRHNHHC-GHMZBOCLSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000088296011 363015221 /nfs/dbraw/zinc/01/52/21/363015221.db2.gz IISYRSJWRHNHHC-WDEREUQCSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000088296013 363015327 /nfs/dbraw/zinc/01/53/27/363015327.db2.gz IISYRSJWRHNHHC-MNOVXSKESA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000088296015 363015299 /nfs/dbraw/zinc/01/52/99/363015299.db2.gz IISYRSJWRHNHHC-QWRGUYRKSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000088296171 322999188 /nfs/dbraw/zinc/99/91/88/322999188.db2.gz MLYUWLGGDHDSTE-CHWSQXEVSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000088296173 322999187 /nfs/dbraw/zinc/99/91/87/322999187.db2.gz MLYUWLGGDHDSTE-QWHCGFSZSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1OC ZINC000088296174 383892908 /nfs/dbraw/zinc/89/29/08/383892908.db2.gz MLYUWLGGDHDSTE-OLZOCXBDSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1OC ZINC000088296176 322999245 /nfs/dbraw/zinc/99/92/45/322999245.db2.gz MLYUWLGGDHDSTE-STQMWFEESA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000088296773 383891817 /nfs/dbraw/zinc/89/18/17/383891817.db2.gz YLZGMBPJFWCPON-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000088297037 388527430 /nfs/dbraw/zinc/52/74/30/388527430.db2.gz MEWAONXIBBWMGY-GHMZBOCLSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000088297039 388527960 /nfs/dbraw/zinc/52/79/60/388527960.db2.gz MEWAONXIBBWMGY-WDEREUQCSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000088297041 388527832 /nfs/dbraw/zinc/52/78/32/388527832.db2.gz MEWAONXIBBWMGY-MNOVXSKESA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000088297042 388527640 /nfs/dbraw/zinc/52/76/40/388527640.db2.gz MEWAONXIBBWMGY-QWRGUYRKSA-N 1 0 241.325 3.879 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)C[C@H](C)CC)c1 ZINC000088297140 388527512 /nfs/dbraw/zinc/52/75/12/388527512.db2.gz VISICQKETAZBIS-ZIAGYGMSSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)C[C@@H](C)CC)c1 ZINC000088297142 256808322 /nfs/dbraw/zinc/80/83/22/256808322.db2.gz VISICQKETAZBIS-UONOGXRCSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)C[C@H](C)CC)c1 ZINC000088297144 388527613 /nfs/dbraw/zinc/52/76/13/388527613.db2.gz VISICQKETAZBIS-KGLIPLIRSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)C[C@@H](C)CC)c1 ZINC000088297146 388527094 /nfs/dbraw/zinc/52/70/94/388527094.db2.gz VISICQKETAZBIS-KBPBESRZSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000088435132 387353235 /nfs/dbraw/zinc/35/32/35/387353235.db2.gz PRUQBBSFWWUCEO-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000088435135 387351712 /nfs/dbraw/zinc/35/17/12/387351712.db2.gz PRUQBBSFWWUCEO-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000088435137 387351517 /nfs/dbraw/zinc/35/15/17/387351517.db2.gz PRUQBBSFWWUCEO-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000088435139 387351667 /nfs/dbraw/zinc/35/16/67/387351667.db2.gz PRUQBBSFWWUCEO-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO COCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000088442265 641354153 /nfs/dbraw/zinc/35/41/53/641354153.db2.gz INEWUMOSFGIWDZ-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO COCc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000088442279 644520789 /nfs/dbraw/zinc/52/07/89/644520789.db2.gz AVNUAOQYXWOTER-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000088454258 387372271 /nfs/dbraw/zinc/37/22/71/387372271.db2.gz GKJMCTSJLUHLTF-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CCC1CC1 ZINC000088454259 256744021 /nfs/dbraw/zinc/74/40/21/256744021.db2.gz GKJMCTSJLUHLTF-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000088454262 387372819 /nfs/dbraw/zinc/37/28/19/387372819.db2.gz NWFPQOBPCVZXSQ-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000088454263 387372847 /nfs/dbraw/zinc/37/28/47/387372847.db2.gz NWFPQOBPCVZXSQ-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCCCOc1ccc(C[NH2+]CCC2CC2)cc1 ZINC000088454309 387190168 /nfs/dbraw/zinc/19/01/68/387190168.db2.gz VLMINTDSEDLMAZ-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccc(OC)cc1 ZINC000088454377 535899937 /nfs/dbraw/zinc/89/99/37/535899937.db2.gz MSKXEQNGZGEOFI-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccc(OC)cc1 ZINC000088454378 535803373 /nfs/dbraw/zinc/80/33/73/535803373.db2.gz MSKXEQNGZGEOFI-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC000088454419 383901423 /nfs/dbraw/zinc/90/14/23/383901423.db2.gz LJFROECZXGFCOL-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC000088454420 359955521 /nfs/dbraw/zinc/95/55/21/359955521.db2.gz LJFROECZXGFCOL-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+]CCC1CC1 ZINC000088454473 387189837 /nfs/dbraw/zinc/18/98/37/387189837.db2.gz IWIMNIKXBRTIPV-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000088454483 256744027 /nfs/dbraw/zinc/74/40/27/256744027.db2.gz FKSGDWNOSMNGBR-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000088454498 582577006 /nfs/dbraw/zinc/57/70/06/582577006.db2.gz QHSDNEQNMAJLRZ-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000088454499 582576946 /nfs/dbraw/zinc/57/69/46/582576946.db2.gz QHSDNEQNMAJLRZ-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Clc1cccc(C2CC([NH2+]CCC3CC3)C2)c1 ZINC000088454548 582576997 /nfs/dbraw/zinc/57/69/97/582576997.db2.gz XIPHGDVSRKGBJK-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CCC2CC2)C1 ZINC000088454556 582576701 /nfs/dbraw/zinc/57/67/01/582576701.db2.gz LXEMHFRUYQGONW-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CCC1CC1 ZINC000088454571 387191063 /nfs/dbraw/zinc/19/10/63/387191063.db2.gz KEFISZUAVGGFJU-UHFFFAOYSA-N 1 0 243.350 3.885 20 0 BHADRO Fc1ccc([C@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088454609 383901860 /nfs/dbraw/zinc/90/18/60/383901860.db2.gz YSPCZEWLVZDYJX-OAHLLOKOSA-N 1 0 233.330 3.667 20 0 BHADRO Fc1ccc([C@@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088454610 383902882 /nfs/dbraw/zinc/90/28/82/383902882.db2.gz YSPCZEWLVZDYJX-HNNXBMFYSA-N 1 0 233.330 3.667 20 0 BHADRO c1ccc2cc(C[NH2+]CCC3CC3)ccc2c1 ZINC000088454619 582577000 /nfs/dbraw/zinc/57/70/00/582577000.db2.gz YQQGXLZYEWJYIJ-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO FC(F)(F)c1ccccc1C[NH2+]CCC1CC1 ZINC000088454620 356710200 /nfs/dbraw/zinc/71/02/00/356710200.db2.gz WKZJSGUXZWTCAD-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cc2ccccc2o1 ZINC000088454747 387376095 /nfs/dbraw/zinc/37/60/95/387376095.db2.gz CWWRXIVJYGNTAS-NSHDSACASA-N 1 0 229.323 3.884 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cc2ccccc2o1 ZINC000088454748 387375352 /nfs/dbraw/zinc/37/53/52/387375352.db2.gz CWWRXIVJYGNTAS-LLVKDONJSA-N 1 0 229.323 3.884 20 0 BHADRO COc1ccc([C@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088454860 387376530 /nfs/dbraw/zinc/37/65/30/387376530.db2.gz ICLNMZNJPMXLSZ-MRXNPFEDSA-N 1 0 245.366 3.536 20 0 BHADRO COc1ccc([C@@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088454861 383902567 /nfs/dbraw/zinc/90/25/67/383902567.db2.gz ICLNMZNJPMXLSZ-INIZCTEOSA-N 1 0 245.366 3.536 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cnc2ccsc2c1 ZINC000088454882 582576548 /nfs/dbraw/zinc/57/65/48/582576548.db2.gz JMSLBIVAVHJPGE-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cnc2ccsc2c1 ZINC000088454883 582576464 /nfs/dbraw/zinc/57/64/64/582576464.db2.gz JMSLBIVAVHJPGE-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000088454890 387189682 /nfs/dbraw/zinc/18/96/82/387189682.db2.gz AWPZSDHNTUNZNB-UHFFFAOYSA-N 1 0 231.383 3.874 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1nc2ccccc2s1 ZINC000088454906 641356771 /nfs/dbraw/zinc/35/67/71/641356771.db2.gz ATFMRDSJMBLJMT-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1nc2ccccc2s1 ZINC000088454907 641357057 /nfs/dbraw/zinc/35/70/57/641357057.db2.gz ATFMRDSJMBLJMT-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO Cc1ccc(C2CC([NH2+]CCC3CC3)C2)cc1 ZINC000088454937 491102919 /nfs/dbraw/zinc/10/29/19/491102919.db2.gz DJTGZJJIIWIPGD-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO Clc1ccc(C2CC([NH2+]CCC3CC3)C2)cc1 ZINC000088454940 491102935 /nfs/dbraw/zinc/10/29/35/491102935.db2.gz FBVLTFVWDLQGJK-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000088455044 491102874 /nfs/dbraw/zinc/10/28/74/491102874.db2.gz GTWMAMVRBHJLQS-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000088455045 491102908 /nfs/dbraw/zinc/10/29/08/491102908.db2.gz GTWMAMVRBHJLQS-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088455094 491102925 /nfs/dbraw/zinc/10/29/25/491102925.db2.gz FAICGAWMIDICHQ-INIZCTEOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000088455095 491102882 /nfs/dbraw/zinc/10/28/82/491102882.db2.gz FAICGAWMIDICHQ-MRXNPFEDSA-N 1 0 229.367 3.836 20 0 BHADRO FC(F)(F)c1cccc(C[NH2+]CCC2CC2)c1 ZINC000088455133 387190184 /nfs/dbraw/zinc/19/01/84/387190184.db2.gz FRZBXZMJSYZPMT-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc2c(c1)CCC2 ZINC000088455168 383903068 /nfs/dbraw/zinc/90/30/68/383903068.db2.gz KZIWQWSKFLFYOT-LBPRGKRZSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc2c(c1)CCC2 ZINC000088455169 387392962 /nfs/dbraw/zinc/39/29/62/387392962.db2.gz KZIWQWSKFLFYOT-GFCCVEGCSA-N 1 0 229.367 3.626 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CCC2CC2)c1 ZINC000088455203 491102881 /nfs/dbraw/zinc/10/28/81/491102881.db2.gz XHRNILBAOPIYLT-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CCC2CC2)c1 ZINC000088455204 491103155 /nfs/dbraw/zinc/10/31/55/491103155.db2.gz XHRNILBAOPIYLT-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455226 388730643 /nfs/dbraw/zinc/73/06/43/388730643.db2.gz ILQLQEFCXJUAHS-UHFFFAOYSA-N 1 0 229.367 3.521 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1F ZINC000088455241 325658442 /nfs/dbraw/zinc/65/84/42/325658442.db2.gz MFFBDZAEDLFVQU-NSHDSACASA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1F ZINC000088455242 388731265 /nfs/dbraw/zinc/73/12/65/388731265.db2.gz MFFBDZAEDLFVQU-LLVKDONJSA-N 1 0 247.357 3.913 20 0 BHADRO CC1(C)CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000088455340 356710477 /nfs/dbraw/zinc/71/04/77/356710477.db2.gz SRJTUVDKSUVCOM-UHFFFAOYSA-N 1 0 235.415 3.981 20 0 BHADRO Clc1ccccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455353 356710390 /nfs/dbraw/zinc/71/03/90/356710390.db2.gz FWRZJPBWYNCUDV-UHFFFAOYSA-N 1 0 249.785 3.866 20 0 BHADRO CCC1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000088455359 356710365 /nfs/dbraw/zinc/71/03/65/356710365.db2.gz GNLGDKKFVLQXLC-UHFFFAOYSA-N 1 0 235.415 3.981 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)o1 ZINC000088455377 325658598 /nfs/dbraw/zinc/65/85/98/325658598.db2.gz OMSWXLHNJJWDCQ-LLVKDONJSA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC(C2CC2)C2CC2)o1 ZINC000088455378 325658646 /nfs/dbraw/zinc/65/86/46/325658646.db2.gz OMSWXLHNJJWDCQ-NSHDSACASA-N 1 0 233.355 3.675 20 0 BHADRO Clc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455390 388731319 /nfs/dbraw/zinc/73/13/19/388731319.db2.gz RQGQTKMZDCWWPD-UHFFFAOYSA-N 1 0 249.785 3.866 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cccc(F)c1 ZINC000088455392 388731276 /nfs/dbraw/zinc/73/12/76/388731276.db2.gz XPJXVOSKWJSXLQ-NSHDSACASA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cccc(F)c1 ZINC000088455393 388731364 /nfs/dbraw/zinc/73/13/64/388731364.db2.gz XPJXVOSKWJSXLQ-LLVKDONJSA-N 1 0 247.357 3.913 20 0 BHADRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1C ZINC000088455425 344240232 /nfs/dbraw/zinc/24/02/32/344240232.db2.gz SPCVXONXHDVLLN-UHFFFAOYSA-N 1 0 243.394 3.829 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455552 344240078 /nfs/dbraw/zinc/24/00/78/344240078.db2.gz ADSFZPGVUQKPKO-UHFFFAOYSA-N 1 0 243.394 3.829 20 0 BHADRO Cc1cc(C[NH2+]CC(C2CC2)C2CC2)c(C)s1 ZINC000088455554 325658595 /nfs/dbraw/zinc/65/85/95/325658595.db2.gz FMXUZMRSJGNGHZ-UHFFFAOYSA-N 1 0 249.423 3.891 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455556 325658542 /nfs/dbraw/zinc/65/85/42/325658542.db2.gz BSBHJJDFZOEPJQ-UHFFFAOYSA-N 1 0 243.394 3.829 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455684 325658521 /nfs/dbraw/zinc/65/85/21/325658521.db2.gz ORBWHCJNLMNZTL-UHFFFAOYSA-N 1 0 247.357 3.660 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000088455730 388731221 /nfs/dbraw/zinc/73/12/21/388731221.db2.gz NWZXGLOXIXZCHH-NSHDSACASA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000088455731 325658578 /nfs/dbraw/zinc/65/85/78/325658578.db2.gz NWZXGLOXIXZCHH-LLVKDONJSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC(C1CC1)C1CC1 ZINC000088455764 325658639 /nfs/dbraw/zinc/65/86/39/325658639.db2.gz OEVYFDLAZWKNQO-LBPRGKRZSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC(C1CC1)C1CC1 ZINC000088455765 325658645 /nfs/dbraw/zinc/65/86/45/325658645.db2.gz OEVYFDLAZWKNQO-GFCCVEGCSA-N 1 0 247.382 3.627 20 0 BHADRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)c(C)c1 ZINC000088455853 368913610 /nfs/dbraw/zinc/91/36/10/368913610.db2.gz UXENMXKVAOFYNV-UHFFFAOYSA-N 1 0 243.394 3.829 20 0 BHADRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455858 356710533 /nfs/dbraw/zinc/71/05/33/356710533.db2.gz RXAKPLNPZCATSG-UHFFFAOYSA-N 1 0 229.367 3.521 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000088455862 325658553 /nfs/dbraw/zinc/65/85/53/325658553.db2.gz ANXIIUMWMMHMES-LBPRGKRZSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000088455863 325658569 /nfs/dbraw/zinc/65/85/69/325658569.db2.gz ANXIIUMWMMHMES-GFCCVEGCSA-N 1 0 229.367 3.773 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000088455868 388731326 /nfs/dbraw/zinc/73/13/26/388731326.db2.gz MVTMLYQEFYFASV-KRWDZBQOSA-N 1 0 241.378 3.700 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000088455869 388731324 /nfs/dbraw/zinc/73/13/24/388731324.db2.gz MVTMLYQEFYFASV-QGZVFWFLSA-N 1 0 241.378 3.700 20 0 BHADRO C[C@@H](C[NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000088455895 368913719 /nfs/dbraw/zinc/91/37/19/368913719.db2.gz RPBCBSQIDPACBI-ZDUSSCGKSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@H](C[NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000088455896 368913524 /nfs/dbraw/zinc/91/35/24/368913524.db2.gz RPBCBSQIDPACBI-CYBMUJFWSA-N 1 0 243.394 3.816 20 0 BHADRO Cc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455989 356710474 /nfs/dbraw/zinc/71/04/74/356710474.db2.gz OIOWCNGOUGMCNJ-UHFFFAOYSA-N 1 0 229.367 3.521 20 0 BHADRO CCc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455991 356710612 /nfs/dbraw/zinc/71/06/12/356710612.db2.gz VSSDXHCVRKEPCY-UHFFFAOYSA-N 1 0 243.394 3.775 20 0 BHADRO Cc1cc(C[NH2+]CC(C2CC2)C2CC2)ccc1F ZINC000088456088 344240129 /nfs/dbraw/zinc/24/01/29/344240129.db2.gz LOPLWCJPJMXGPA-UHFFFAOYSA-N 1 0 247.357 3.660 20 0 BHADRO CCc1ccc(C[NH2+]CC(C2CC2)C2CC2)s1 ZINC000088456089 368914744 /nfs/dbraw/zinc/91/47/44/368914744.db2.gz LFOJQEVDUBVXCO-UHFFFAOYSA-N 1 0 249.423 3.836 20 0 BHADRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1F ZINC000088456099 356710515 /nfs/dbraw/zinc/71/05/15/356710515.db2.gz CFRQTIGPQNSQKE-UHFFFAOYSA-N 1 0 247.357 3.660 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000088456108 368914887 /nfs/dbraw/zinc/91/48/87/368914887.db2.gz ACXFGEKZAATLMW-DOMZBBRYSA-N 1 0 235.415 3.981 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000088456109 368914147 /nfs/dbraw/zinc/91/41/47/368914147.db2.gz ACXFGEKZAATLMW-WFASDCNBSA-N 1 0 235.415 3.981 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000088456110 368914861 /nfs/dbraw/zinc/91/48/61/368914861.db2.gz ACXFGEKZAATLMW-IUODEOHRSA-N 1 0 235.415 3.981 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000088456111 368914241 /nfs/dbraw/zinc/91/42/41/368914241.db2.gz ACXFGEKZAATLMW-SWLSCSKDSA-N 1 0 235.415 3.981 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c(C)o1 ZINC000088456166 368914123 /nfs/dbraw/zinc/91/41/23/368914123.db2.gz NRKSKQZCNHXUKG-LLVKDONJSA-N 1 0 247.382 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C2CC2)C2CC2)c(C)o1 ZINC000088456167 368915014 /nfs/dbraw/zinc/91/50/14/368915014.db2.gz NRKSKQZCNHXUKG-NSHDSACASA-N 1 0 247.382 3.983 20 0 BHADRO Cc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1C ZINC000088456189 356710481 /nfs/dbraw/zinc/71/04/81/356710481.db2.gz NONBOHDMFVRVOV-UHFFFAOYSA-N 1 0 243.394 3.829 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CC(C1CC1)C1CC1 ZINC000088458210 325658919 /nfs/dbraw/zinc/65/89/19/325658919.db2.gz BYUINSWRDCGSJU-QPJJXVBHSA-N 1 0 241.378 3.726 20 0 BHADRO Cc1cc(NCCC2CC2)c2ccccc2[nH+]1 ZINC000088459857 387198472 /nfs/dbraw/zinc/19/84/72/387198472.db2.gz JLEOURNVVKADSO-UHFFFAOYSA-N 1 0 226.323 3.755 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000088507002 487731438 /nfs/dbraw/zinc/73/14/38/487731438.db2.gz QTQLXMXCRXPGIR-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000088507006 487731430 /nfs/dbraw/zinc/73/14/30/487731430.db2.gz QTQLXMXCRXPGIR-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@H]1C)c1ccccn1 ZINC000088507905 487731582 /nfs/dbraw/zinc/73/15/82/487731582.db2.gz VMKNOTKZGOSWNU-RDBSUJKOSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)c1ccccn1 ZINC000088507909 487732012 /nfs/dbraw/zinc/73/20/12/487732012.db2.gz VMKNOTKZGOSWNU-IHRRRGAJSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)c1ccccn1 ZINC000088507911 487732006 /nfs/dbraw/zinc/73/20/06/487732006.db2.gz VMKNOTKZGOSWNU-HZSPNIEDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)c1ccccn1 ZINC000088507912 487731972 /nfs/dbraw/zinc/73/19/72/487731972.db2.gz VMKNOTKZGOSWNU-MELADBBJSA-N 1 0 232.371 3.701 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)cc1 ZINC000088508683 356726807 /nfs/dbraw/zinc/72/68/07/356726807.db2.gz UVYOULJPDSIFQT-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)cc1 ZINC000088508684 356726802 /nfs/dbraw/zinc/72/68/02/356726802.db2.gz UVYOULJPDSIFQT-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)cc1 ZINC000088508685 356726756 /nfs/dbraw/zinc/72/67/56/356726756.db2.gz UVYOULJPDSIFQT-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)cc1 ZINC000088508687 356726813 /nfs/dbraw/zinc/72/68/13/356726813.db2.gz UVYOULJPDSIFQT-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000088509669 356727634 /nfs/dbraw/zinc/72/76/34/356727634.db2.gz YELRRJBSPJNVQH-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000088509671 356727700 /nfs/dbraw/zinc/72/77/00/356727700.db2.gz YELRRJBSPJNVQH-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000088509673 356727801 /nfs/dbraw/zinc/72/78/01/356727801.db2.gz YELRRJBSPJNVQH-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000088509675 356728011 /nfs/dbraw/zinc/72/80/11/356728011.db2.gz YELRRJBSPJNVQH-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000088509684 356727620 /nfs/dbraw/zinc/72/76/20/356727620.db2.gz WHCQUYMRLLYGQF-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000088509686 356727659 /nfs/dbraw/zinc/72/76/59/356727659.db2.gz WHCQUYMRLLYGQF-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000088509687 356727546 /nfs/dbraw/zinc/72/75/46/356727546.db2.gz WHCQUYMRLLYGQF-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000088509690 356727684 /nfs/dbraw/zinc/72/76/84/356727684.db2.gz WHCQUYMRLLYGQF-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000088509885 359964356 /nfs/dbraw/zinc/96/43/56/359964356.db2.gz BTDDKBWHNAEYPZ-KOLCDFICSA-N 1 0 240.416 3.799 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000088509886 359964897 /nfs/dbraw/zinc/96/48/97/359964897.db2.gz BTDDKBWHNAEYPZ-ONGXEEELSA-N 1 0 240.416 3.799 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]Cc1ccsc1 ZINC000088510091 135522830 /nfs/dbraw/zinc/52/28/30/135522830.db2.gz GXCBYFJAHUPPIX-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2C)cn1 ZINC000088510094 491103934 /nfs/dbraw/zinc/10/39/34/491103934.db2.gz NSZCCMVQXPHACZ-KCQAQPDRSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCCCC[C@@H]2C)cn1 ZINC000088510097 491103925 /nfs/dbraw/zinc/10/39/25/491103925.db2.gz NSZCCMVQXPHACZ-YDHLFZDLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)CCO1 ZINC000088510142 487730536 /nfs/dbraw/zinc/73/05/36/487730536.db2.gz ZJFZBBPYMYRIAM-GBJTYRQASA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]Cc1cccs1 ZINC000088510180 383908382 /nfs/dbraw/zinc/90/83/82/383908382.db2.gz FDOOKUVVIQEHGC-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2C)c1 ZINC000088510195 356727945 /nfs/dbraw/zinc/72/79/45/356727945.db2.gz SFFPFJGTOHPJCW-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2C)c1 ZINC000088510196 356727953 /nfs/dbraw/zinc/72/79/53/356727953.db2.gz SFFPFJGTOHPJCW-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2C)c1 ZINC000088510199 356727779 /nfs/dbraw/zinc/72/77/79/356727779.db2.gz SFFPFJGTOHPJCW-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)c1 ZINC000088510201 356728035 /nfs/dbraw/zinc/72/80/35/356728035.db2.gz SFFPFJGTOHPJCW-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1C ZINC000088510694 356727739 /nfs/dbraw/zinc/72/77/39/356727739.db2.gz KTLWKALQLYEHHD-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000088510696 356727901 /nfs/dbraw/zinc/72/79/01/356727901.db2.gz KTLWKALQLYEHHD-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000088510697 356727797 /nfs/dbraw/zinc/72/77/97/356727797.db2.gz KTLWKALQLYEHHD-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000088510700 356727705 /nfs/dbraw/zinc/72/77/05/356727705.db2.gz KTLWKALQLYEHHD-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@H]1C)c1cccnc1 ZINC000088510729 487730431 /nfs/dbraw/zinc/73/04/31/487730431.db2.gz BOELLJOVFYPVPL-IPYPFGDCSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)c1cccnc1 ZINC000088510730 487730488 /nfs/dbraw/zinc/73/04/88/487730488.db2.gz BOELLJOVFYPVPL-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)c1cccnc1 ZINC000088510732 487730800 /nfs/dbraw/zinc/73/08/00/487730800.db2.gz BOELLJOVFYPVPL-VNHYZAJKSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)c1cccnc1 ZINC000088510733 487730885 /nfs/dbraw/zinc/73/08/85/487730885.db2.gz BOELLJOVFYPVPL-KCQAQPDRSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000088510773 356727822 /nfs/dbraw/zinc/72/78/22/356727822.db2.gz WLDKLIVEKRMBMN-DOMZBBRYSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000088510775 356728444 /nfs/dbraw/zinc/72/84/44/356728444.db2.gz WLDKLIVEKRMBMN-WFASDCNBSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000088510777 356728341 /nfs/dbraw/zinc/72/83/41/356728341.db2.gz WLDKLIVEKRMBMN-IUODEOHRSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000088510779 356728307 /nfs/dbraw/zinc/72/83/07/356728307.db2.gz WLDKLIVEKRMBMN-SWLSCSKDSA-N 1 0 235.346 3.884 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000088510850 491103976 /nfs/dbraw/zinc/10/39/76/491103976.db2.gz WQGCFQKFPSEEFJ-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000088510851 491103966 /nfs/dbraw/zinc/10/39/66/491103966.db2.gz WQGCFQKFPSEEFJ-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000088510853 491103930 /nfs/dbraw/zinc/10/39/30/491103930.db2.gz WQGCFQKFPSEEFJ-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000088510854 491103920 /nfs/dbraw/zinc/10/39/20/491103920.db2.gz WQGCFQKFPSEEFJ-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1F ZINC000088511546 644522275 /nfs/dbraw/zinc/52/22/75/644522275.db2.gz QZTYYUALTIRPON-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1F ZINC000088511549 644521950 /nfs/dbraw/zinc/52/19/50/644521950.db2.gz QZTYYUALTIRPON-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)n1 ZINC000088511724 491103921 /nfs/dbraw/zinc/10/39/21/491103921.db2.gz MSRHGDRCRBQIJQ-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)n1 ZINC000088511726 491103982 /nfs/dbraw/zinc/10/39/82/491103982.db2.gz MSRHGDRCRBQIJQ-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)n1 ZINC000088511727 491103950 /nfs/dbraw/zinc/10/39/50/491103950.db2.gz MSRHGDRCRBQIJQ-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)n1 ZINC000088511729 491103897 /nfs/dbraw/zinc/10/38/97/491103897.db2.gz MSRHGDRCRBQIJQ-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088536607 325659369 /nfs/dbraw/zinc/65/93/69/325659369.db2.gz YVDBQDUCBJEURO-INIZCTEOSA-N 1 0 243.325 3.913 20 0 BHADRO CC(C)[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000088536608 325659244 /nfs/dbraw/zinc/65/92/44/325659244.db2.gz YVDBQDUCBJEURO-MRXNPFEDSA-N 1 0 243.325 3.913 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000088537362 383908574 /nfs/dbraw/zinc/90/85/74/383908574.db2.gz UXHOGGNYMJSLKP-UKRRQHHQSA-N 1 0 234.387 3.598 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000088537363 383907975 /nfs/dbraw/zinc/90/79/75/383907975.db2.gz UXHOGGNYMJSLKP-DZGCQCFKSA-N 1 0 234.387 3.598 20 0 BHADRO CC[C@@H](C)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000088548200 388532140 /nfs/dbraw/zinc/53/21/40/388532140.db2.gz HGZKQXBWXZQXSE-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H](C)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000088548201 388532370 /nfs/dbraw/zinc/53/23/70/388532370.db2.gz HGZKQXBWXZQXSE-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO COCc1cccc(C[NH2+]C2(C)CCCCC2)c1 ZINC000088553649 383910606 /nfs/dbraw/zinc/91/06/06/383910606.db2.gz VQYMEPLIDRFUEL-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000088553666 383910672 /nfs/dbraw/zinc/91/06/72/383910672.db2.gz QXCXXEWXPCPFKC-OAHLLOKOSA-N 1 0 235.371 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000088553667 383912889 /nfs/dbraw/zinc/91/28/89/383912889.db2.gz QXCXXEWXPCPFKC-HNNXBMFYSA-N 1 0 235.371 3.501 20 0 BHADRO COCc1cccc(C[NH2+]CC2(C)CCCC2)c1 ZINC000088553726 359966039 /nfs/dbraw/zinc/96/60/39/359966039.db2.gz BRVYIMUYDIDRLN-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccc(COC)c1 ZINC000088553780 256796874 /nfs/dbraw/zinc/79/68/74/256796874.db2.gz YSBODJXTWDOJCB-UHFFFAOYSA-N 1 0 249.398 3.891 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000088553801 383910568 /nfs/dbraw/zinc/91/05/68/383910568.db2.gz SMJKIKZWNJQIPT-ZIAGYGMSSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000088553802 256796843 /nfs/dbraw/zinc/79/68/43/256796843.db2.gz SMJKIKZWNJQIPT-UONOGXRCSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000088553803 256796817 /nfs/dbraw/zinc/79/68/17/256796817.db2.gz SMJKIKZWNJQIPT-KGLIPLIRSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000088553804 388392609 /nfs/dbraw/zinc/39/26/09/388392609.db2.gz SMJKIKZWNJQIPT-KBPBESRZSA-N 1 0 249.398 3.747 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccccc1COC ZINC000088557283 256603371 /nfs/dbraw/zinc/60/33/71/256603371.db2.gz IKCMSNHDUPBMBH-OAHLLOKOSA-N 1 0 235.371 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccccc1COC ZINC000088557284 256603370 /nfs/dbraw/zinc/60/33/70/256603370.db2.gz IKCMSNHDUPBMBH-HNNXBMFYSA-N 1 0 235.371 3.501 20 0 BHADRO COCc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000088567016 359967263 /nfs/dbraw/zinc/96/72/63/359967263.db2.gz NAGBLYGIIZCVDW-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000088567076 383913277 /nfs/dbraw/zinc/91/32/77/383913277.db2.gz RPCYURAZILRLCI-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO COCc1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000088567077 383911632 /nfs/dbraw/zinc/91/16/32/383911632.db2.gz RPCYURAZILRLCI-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(COC)cc1 ZINC000088567109 644524064 /nfs/dbraw/zinc/52/40/64/644524064.db2.gz FKPQWGNPPOTJOT-UHFFFAOYSA-N 1 0 235.371 3.503 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088567244 644524686 /nfs/dbraw/zinc/52/46/86/644524686.db2.gz VGMDCTLLOWCFQD-CQSZACIVSA-N 1 0 249.398 3.891 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088567245 644524106 /nfs/dbraw/zinc/52/41/06/644524106.db2.gz VGMDCTLLOWCFQD-AWEZNQCLSA-N 1 0 249.398 3.891 20 0 BHADRO COCc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000088567837 383912965 /nfs/dbraw/zinc/91/29/65/383912965.db2.gz RITXZGVXCFJVLP-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO COCc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000088568339 383912380 /nfs/dbraw/zinc/91/23/80/383912380.db2.gz RJEFDCIEHYJILF-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(COC)cc1 ZINC000088568364 383910978 /nfs/dbraw/zinc/91/09/78/383910978.db2.gz PEAZZISZIUCRPV-OAHLLOKOSA-N 1 0 235.371 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(COC)cc1 ZINC000088568365 383911302 /nfs/dbraw/zinc/91/13/02/383911302.db2.gz PEAZZISZIUCRPV-HNNXBMFYSA-N 1 0 235.371 3.501 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568369 385147193 /nfs/dbraw/zinc/14/71/93/385147193.db2.gz VZSOZHKMFDUALF-CYBMUJFWSA-N 1 0 235.371 3.501 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568370 385147494 /nfs/dbraw/zinc/14/74/94/385147494.db2.gz VZSOZHKMFDUALF-ZDUSSCGKSA-N 1 0 235.371 3.501 20 0 BHADRO COCc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000088568495 135523474 /nfs/dbraw/zinc/52/34/74/135523474.db2.gz FPPQJTCZMAFXQL-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO COCc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000088568516 383911922 /nfs/dbraw/zinc/91/19/22/383911922.db2.gz INQCIEHYYGZPRS-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000088568517 383912391 /nfs/dbraw/zinc/91/23/91/383912391.db2.gz INQCIEHYYGZPRS-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(COC)cc1 ZINC000088568587 385151863 /nfs/dbraw/zinc/15/18/63/385151863.db2.gz YECCLFHSPREFGE-UHFFFAOYSA-N 1 0 249.398 3.891 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568609 385151772 /nfs/dbraw/zinc/15/17/72/385151772.db2.gz UTJZXJKCGTWNSX-ZIAGYGMSSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568610 256603154 /nfs/dbraw/zinc/60/31/54/256603154.db2.gz UTJZXJKCGTWNSX-UONOGXRCSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568611 385151688 /nfs/dbraw/zinc/15/16/88/385151688.db2.gz UTJZXJKCGTWNSX-KGLIPLIRSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000088568612 385153012 /nfs/dbraw/zinc/15/30/12/385153012.db2.gz UTJZXJKCGTWNSX-KBPBESRZSA-N 1 0 249.398 3.747 20 0 BHADRO CCCC[NH+](CCCC)Cc1nc(C)cs1 ZINC000088574639 388532082 /nfs/dbraw/zinc/53/20/82/388532082.db2.gz QHJHFERBXUMMLA-UHFFFAOYSA-N 1 0 240.416 3.854 20 0 BHADRO CC[N@H+](Cc1nc(C)cs1)C1CCCCC1 ZINC000088577894 383912624 /nfs/dbraw/zinc/91/26/24/383912624.db2.gz XPPJHEURBXSFIO-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CC[N@H+](Cc1nc(C)c(C)s1)C1CCCC1 ZINC000088578179 388532636 /nfs/dbraw/zinc/53/26/36/388532636.db2.gz NLCXTELKEJQWDF-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO CC[N@H+](Cc1nc(C)c(C)s1)[C@@H](C)C(C)C ZINC000088586948 383912825 /nfs/dbraw/zinc/91/28/25/383912825.db2.gz KSAQHXQNOGSNBU-NSHDSACASA-N 1 0 240.416 3.626 20 0 BHADRO CC[N@H+](Cc1nc(C)c(C)s1)[C@H](C)C(C)C ZINC000088586949 388531881 /nfs/dbraw/zinc/53/18/81/388531881.db2.gz KSAQHXQNOGSNBU-LLVKDONJSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)sc1C ZINC000088598762 388533697 /nfs/dbraw/zinc/53/36/97/388533697.db2.gz LHOGAFPWFSVVLK-AOOOYVTPSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[NH+]2[C@@H](C)CCC[C@@H]2C)sc1C ZINC000088598763 256812111 /nfs/dbraw/zinc/81/21/11/256812111.db2.gz LHOGAFPWFSVVLK-UWVGGRQHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[NH+]2[C@H](C)CCC[C@H]2C)sc1C ZINC000088598764 388533475 /nfs/dbraw/zinc/53/34/75/388533475.db2.gz LHOGAFPWFSVVLK-NXEZZACHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[N@H+]2CCCCC[C@@H]2C)sc1C ZINC000088599859 345542620 /nfs/dbraw/zinc/54/26/20/345542620.db2.gz QTPCTLIQAZONPL-JTQLQIEISA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C[N@H+]2CCCCC[C@H]2C)sc1C ZINC000088599860 345542816 /nfs/dbraw/zinc/54/28/16/345542816.db2.gz QTPCTLIQAZONPL-SNVBAGLBSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1nc(C)cs1 ZINC000088601316 323081548 /nfs/dbraw/zinc/08/15/48/323081548.db2.gz YUXSWBRSIMBKIN-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1nc(C)cs1 ZINC000088601317 323081539 /nfs/dbraw/zinc/08/15/39/323081539.db2.gz YUXSWBRSIMBKIN-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088746586 383921196 /nfs/dbraw/zinc/92/11/96/383921196.db2.gz QFUGPVKURSEWEM-CGZBRXJRSA-N 1 0 241.378 3.939 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000088746587 259429434 /nfs/dbraw/zinc/42/94/34/259429434.db2.gz QFUGPVKURSEWEM-AQFXKWCLSA-N 1 0 241.378 3.939 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)c(F)c1 ZINC000088746842 386579251 /nfs/dbraw/zinc/57/92/51/386579251.db2.gz HWEYJNUHFISMMV-JQWIXIFHSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)c(F)c1 ZINC000088746843 386578534 /nfs/dbraw/zinc/57/85/34/386578534.db2.gz HWEYJNUHFISMMV-PWSUYJOCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)c(F)c1 ZINC000088746844 386578365 /nfs/dbraw/zinc/57/83/65/386578365.db2.gz HWEYJNUHFISMMV-CMPLNLGQSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)c(F)c1 ZINC000088746845 256624515 /nfs/dbraw/zinc/62/45/15/256624515.db2.gz HWEYJNUHFISMMV-ZYHUDNBSSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000088746940 386579176 /nfs/dbraw/zinc/57/91/76/386579176.db2.gz XERCVIOXJOHETL-HOCLYGCPSA-N 1 0 229.367 3.706 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000088746941 386578816 /nfs/dbraw/zinc/57/88/16/386578816.db2.gz XERCVIOXJOHETL-ZBFHGGJFSA-N 1 0 229.367 3.706 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000088746942 386578390 /nfs/dbraw/zinc/57/83/90/386578390.db2.gz XERCVIOXJOHETL-GOEBONIOSA-N 1 0 229.367 3.706 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000088746943 256624599 /nfs/dbraw/zinc/62/45/99/256624599.db2.gz XERCVIOXJOHETL-GDBMZVCRSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000088747152 359974370 /nfs/dbraw/zinc/97/43/70/359974370.db2.gz XCDDXIFQNKCHBE-GJZGRUSLSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000088747153 359974189 /nfs/dbraw/zinc/97/41/89/359974189.db2.gz XCDDXIFQNKCHBE-LSDHHAIUSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000088747154 535932074 /nfs/dbraw/zinc/93/20/74/535932074.db2.gz XCDDXIFQNKCHBE-CABCVRRESA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000088747155 359974449 /nfs/dbraw/zinc/97/44/49/359974449.db2.gz XCDDXIFQNKCHBE-HUUCEWRRSA-N 1 0 233.330 3.975 20 0 BHADRO FC(F)(F)C1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000088747210 359974247 /nfs/dbraw/zinc/97/42/47/359974247.db2.gz QPCQRJLZYLDSBP-MOENNCHZSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)C1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000088747211 359974001 /nfs/dbraw/zinc/97/40/01/359974001.db2.gz QPCQRJLZYLDSBP-CXQJBGSLSA-N 1 0 247.304 3.806 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747238 325661715 /nfs/dbraw/zinc/66/17/15/325661715.db2.gz HPPCKJZPBSBVNM-KGLIPLIRSA-N 1 0 245.366 3.763 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747239 325661754 /nfs/dbraw/zinc/66/17/54/325661754.db2.gz HPPCKJZPBSBVNM-KBPBESRZSA-N 1 0 245.366 3.763 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747240 388733937 /nfs/dbraw/zinc/73/39/37/388733937.db2.gz HPPCKJZPBSBVNM-ZIAGYGMSSA-N 1 0 245.366 3.763 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747241 388734461 /nfs/dbraw/zinc/73/44/61/388734461.db2.gz HPPCKJZPBSBVNM-UONOGXRCSA-N 1 0 245.366 3.763 20 0 BHADRO Fc1ccc(C2CC([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747268 180963093 /nfs/dbraw/zinc/96/30/93/180963093.db2.gz MRUIIQUJUJXBGD-SIWZUTFBSA-N 1 0 245.341 3.770 20 0 BHADRO Fc1ccc(C2CC([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000088747269 180962273 /nfs/dbraw/zinc/96/22/73/180962273.db2.gz MRUIIQUJUJXBGD-OGVSOVDVSA-N 1 0 245.341 3.770 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747280 383920951 /nfs/dbraw/zinc/92/09/51/383920951.db2.gz WBLZPSKBFFIDNP-KGLIPLIRSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747281 386578158 /nfs/dbraw/zinc/57/81/58/386578158.db2.gz WBLZPSKBFFIDNP-KBPBESRZSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747282 386579192 /nfs/dbraw/zinc/57/91/92/386579192.db2.gz WBLZPSKBFFIDNP-ZIAGYGMSSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747283 256624664 /nfs/dbraw/zinc/62/46/64/256624664.db2.gz WBLZPSKBFFIDNP-UONOGXRCSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000088747350 256624399 /nfs/dbraw/zinc/62/43/99/256624399.db2.gz HDIJLKLRGCLQGD-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000088747351 386578415 /nfs/dbraw/zinc/57/84/15/386578415.db2.gz HDIJLKLRGCLQGD-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088747352 386579057 /nfs/dbraw/zinc/57/90/57/386579057.db2.gz HDIJLKLRGCLQGD-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088747353 256624283 /nfs/dbraw/zinc/62/42/83/256624283.db2.gz HDIJLKLRGCLQGD-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747362 191019889 /nfs/dbraw/zinc/01/98/89/191019889.db2.gz IKUAOFZBFDVFLK-PCKAHOCUSA-N 1 0 227.351 3.631 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000088747363 191019667 /nfs/dbraw/zinc/01/96/67/191019667.db2.gz IKUAOFZBFDVFLK-HWOWSKLDSA-N 1 0 227.351 3.631 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)cc1F ZINC000088747390 175190149 /nfs/dbraw/zinc/19/01/49/175190149.db2.gz YTTRUVMQMBCTFW-AAEUAGOBSA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc1F ZINC000088747391 175177707 /nfs/dbraw/zinc/17/77/07/175177707.db2.gz YTTRUVMQMBCTFW-YPMHNXCESA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc1F ZINC000088747392 175189252 /nfs/dbraw/zinc/18/92/52/175189252.db2.gz YTTRUVMQMBCTFW-WCQYABFASA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc1F ZINC000088747393 175176575 /nfs/dbraw/zinc/17/65/75/175176575.db2.gz YTTRUVMQMBCTFW-DGCLKSJQSA-N 1 0 249.329 3.594 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000088747514 135526204 /nfs/dbraw/zinc/52/62/04/135526204.db2.gz GOQKVOVKBCYEBX-HOCLYGCPSA-N 1 0 227.351 3.762 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000088747515 135525735 /nfs/dbraw/zinc/52/57/35/135525735.db2.gz GOQKVOVKBCYEBX-GOEBONIOSA-N 1 0 227.351 3.762 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000088747516 359974165 /nfs/dbraw/zinc/97/41/65/359974165.db2.gz GOQKVOVKBCYEBX-ZBFHGGJFSA-N 1 0 227.351 3.762 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000088747517 359974467 /nfs/dbraw/zinc/97/44/67/359974467.db2.gz GOQKVOVKBCYEBX-GDBMZVCRSA-N 1 0 227.351 3.762 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)c(F)c1 ZINC000088747528 386577731 /nfs/dbraw/zinc/57/77/31/386577731.db2.gz HFSKVYGAGOLEKB-NWDGAFQWSA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c(F)c1 ZINC000088747529 386579440 /nfs/dbraw/zinc/57/94/40/386579440.db2.gz HFSKVYGAGOLEKB-VXGBXAGGSA-N 1 0 249.329 3.594 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000088747553 383920340 /nfs/dbraw/zinc/92/03/40/383920340.db2.gz LQURYJIBUVRENR-GRYCIOLGSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000088747555 386581554 /nfs/dbraw/zinc/58/15/54/386581554.db2.gz LQURYJIBUVRENR-WOPDTQHZSA-N 1 0 247.304 3.806 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(OC)cc1 ZINC000088747560 135525988 /nfs/dbraw/zinc/52/59/88/135525988.db2.gz XPURIPQCQFELEA-HOCLYGCPSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(OC)cc1 ZINC000088747561 359974089 /nfs/dbraw/zinc/97/40/89/359974089.db2.gz XPURIPQCQFELEA-GOEBONIOSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(OC)cc1 ZINC000088747562 359974414 /nfs/dbraw/zinc/97/44/14/359974414.db2.gz XPURIPQCQFELEA-ZBFHGGJFSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(OC)cc1 ZINC000088747563 535808131 /nfs/dbraw/zinc/80/81/31/535808131.db2.gz XPURIPQCQFELEA-GDBMZVCRSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1OC ZINC000088747590 359974095 /nfs/dbraw/zinc/97/40/95/359974095.db2.gz GZPJUISCCOSXNB-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1OC ZINC000088747591 359974039 /nfs/dbraw/zinc/97/40/39/359974039.db2.gz GZPJUISCCOSXNB-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1OC ZINC000088747592 359974119 /nfs/dbraw/zinc/97/41/19/359974119.db2.gz GZPJUISCCOSXNB-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1OC ZINC000088747593 359974303 /nfs/dbraw/zinc/97/43/03/359974303.db2.gz GZPJUISCCOSXNB-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000088747696 135525444 /nfs/dbraw/zinc/52/54/44/135525444.db2.gz VMLKMQFBQCHGTJ-GXTWGEPZSA-N 1 0 245.391 3.922 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000088747697 135525386 /nfs/dbraw/zinc/52/53/86/135525386.db2.gz VMLKMQFBQCHGTJ-JSGCOSHPSA-N 1 0 245.391 3.922 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000088747698 359974117 /nfs/dbraw/zinc/97/41/17/359974117.db2.gz VMLKMQFBQCHGTJ-TZMCWYRMSA-N 1 0 245.391 3.922 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000088747699 135525629 /nfs/dbraw/zinc/52/56/29/135525629.db2.gz VMLKMQFBQCHGTJ-OCCSQVGLSA-N 1 0 245.391 3.922 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747712 386581485 /nfs/dbraw/zinc/58/14/85/386581485.db2.gz CXJZHXWVNQQGAY-JQWIXIFHSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747713 386581365 /nfs/dbraw/zinc/58/13/65/386581365.db2.gz CXJZHXWVNQQGAY-PWSUYJOCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747714 386580103 /nfs/dbraw/zinc/58/01/03/386580103.db2.gz CXJZHXWVNQQGAY-CMPLNLGQSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747715 386581233 /nfs/dbraw/zinc/58/12/33/386581233.db2.gz CXJZHXWVNQQGAY-ZYHUDNBSSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CC=CCC1)c1ccccc1 ZINC000088747740 135525423 /nfs/dbraw/zinc/52/54/23/135525423.db2.gz VQDBSACEISJRFE-HOCLYGCPSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC=CCC1)c1ccccc1 ZINC000088747741 644527512 /nfs/dbraw/zinc/52/75/12/644527512.db2.gz VQDBSACEISJRFE-ZBFHGGJFSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CC=CCC1)c1ccccc1 ZINC000088747742 135525588 /nfs/dbraw/zinc/52/55/88/135525588.db2.gz VQDBSACEISJRFE-GOEBONIOSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC=CCC1)c1ccccc1 ZINC000088747743 135525949 /nfs/dbraw/zinc/52/59/49/135525949.db2.gz VQDBSACEISJRFE-GDBMZVCRSA-N 1 0 229.367 3.879 20 0 BHADRO Fc1ccc([C@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747744 383921606 /nfs/dbraw/zinc/92/16/06/383921606.db2.gz FSUTVHVOVPARJW-JKSUJKDBSA-N 1 0 245.341 3.975 20 0 BHADRO Fc1ccc([C@@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747745 256575711 /nfs/dbraw/zinc/57/57/11/256575711.db2.gz FSUTVHVOVPARJW-HOTGVXAUSA-N 1 0 245.341 3.975 20 0 BHADRO Fc1ccc([C@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000088747746 256575202 /nfs/dbraw/zinc/57/52/02/256575202.db2.gz FSUTVHVOVPARJW-HZPDHXFCSA-N 1 0 245.341 3.975 20 0 BHADRO Fc1ccc([C@@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000088747747 256624674 /nfs/dbraw/zinc/62/46/74/256624674.db2.gz FSUTVHVOVPARJW-CVEARBPZSA-N 1 0 245.341 3.975 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC=CCC2)C1 ZINC000088747762 383919782 /nfs/dbraw/zinc/91/97/82/383919782.db2.gz MHJHDODOFFLYBO-PCKAHOCUSA-N 1 0 241.378 3.939 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC=CCC2)C1 ZINC000088747763 383920710 /nfs/dbraw/zinc/92/07/10/383920710.db2.gz MHJHDODOFFLYBO-HWOWSKLDSA-N 1 0 241.378 3.939 20 0 BHADRO Fc1ccccc1C1CC([NH2+][C@H]2CC=CCC2)C1 ZINC000088747764 359974086 /nfs/dbraw/zinc/97/40/86/359974086.db2.gz ZQFICXRXENWACK-MOKVOYLWSA-N 1 0 245.341 3.770 20 0 BHADRO Fc1ccccc1C1CC([NH2+][C@@H]2CC=CCC2)C1 ZINC000088747765 359974471 /nfs/dbraw/zinc/97/44/71/359974471.db2.gz ZQFICXRXENWACK-ROKHWSDSSA-N 1 0 245.341 3.770 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747800 386581038 /nfs/dbraw/zinc/58/10/38/386581038.db2.gz HRNWKSNTVPFNRH-KGLIPLIRSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000088747801 386581564 /nfs/dbraw/zinc/58/15/64/386581564.db2.gz HRNWKSNTVPFNRH-KBPBESRZSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747802 386579889 /nfs/dbraw/zinc/57/98/89/386579889.db2.gz HRNWKSNTVPFNRH-ZIAGYGMSSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000088747803 256624409 /nfs/dbraw/zinc/62/44/09/256624409.db2.gz HRNWKSNTVPFNRH-UONOGXRCSA-N 1 0 245.366 3.763 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747860 256624518 /nfs/dbraw/zinc/62/45/18/256624518.db2.gz ZSETZHVPBGYBTH-HOTGVXAUSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747861 386581145 /nfs/dbraw/zinc/58/11/45/386581145.db2.gz ZSETZHVPBGYBTH-JKSUJKDBSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000088747862 256624179 /nfs/dbraw/zinc/62/41/79/256624179.db2.gz ZSETZHVPBGYBTH-CVEARBPZSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000088747863 386580355 /nfs/dbraw/zinc/58/03/55/386580355.db2.gz ZSETZHVPBGYBTH-HZPDHXFCSA-N 1 0 227.351 3.836 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc2c(c1)CCC2 ZINC000088747928 386580337 /nfs/dbraw/zinc/58/03/37/386580337.db2.gz VBOUIZVGBWFAFF-GUYCJALGSA-N 1 0 241.378 3.935 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc2c(c1)CCC2 ZINC000088747929 386581582 /nfs/dbraw/zinc/58/15/82/386581582.db2.gz VBOUIZVGBWFAFF-DYVFJYSZSA-N 1 0 241.378 3.935 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc2c(c1)CCC2 ZINC000088747930 386580819 /nfs/dbraw/zinc/58/08/19/386580819.db2.gz VBOUIZVGBWFAFF-SUMWQHHRSA-N 1 0 241.378 3.935 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc2c(c1)CCC2 ZINC000088747931 386581307 /nfs/dbraw/zinc/58/13/07/386581307.db2.gz VBOUIZVGBWFAFF-CXAGYDPISA-N 1 0 241.378 3.935 20 0 BHADRO Fc1cccc(C2CC([NH2+][C@H]3CC=CCC3)C2)c1 ZINC000088747958 383920442 /nfs/dbraw/zinc/92/04/42/383920442.db2.gz CDMWCMUGDHKGFC-SIWZUTFBSA-N 1 0 245.341 3.770 20 0 BHADRO Fc1cccc(C2CC([NH2+][C@@H]3CC=CCC3)C2)c1 ZINC000088747959 180994815 /nfs/dbraw/zinc/99/48/15/180994815.db2.gz CDMWCMUGDHKGFC-OGVSOVDVSA-N 1 0 245.341 3.770 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000088765799 383924799 /nfs/dbraw/zinc/92/47/99/383924799.db2.gz BMLXRVAIQUZYAI-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000088765801 383922857 /nfs/dbraw/zinc/92/28/57/383922857.db2.gz BMLXRVAIQUZYAI-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO CC[C@@H](C)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000088832186 359980363 /nfs/dbraw/zinc/98/03/63/359980363.db2.gz XUNOTRIPNINKSY-SNVBAGLBSA-N 1 0 246.379 3.782 20 0 BHADRO CC[C@H](C)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000088832187 135528981 /nfs/dbraw/zinc/52/89/81/135528981.db2.gz XUNOTRIPNINKSY-JTQLQIEISA-N 1 0 246.379 3.782 20 0 BHADRO CC[C@@H](C)c1csc(-c2ccc(C[NH3+])cc2)n1 ZINC000088870700 359981384 /nfs/dbraw/zinc/98/13/84/359981384.db2.gz QCNSOCCVGUMFNP-SNVBAGLBSA-N 1 0 246.379 3.782 20 0 BHADRO CC[C@H](C)c1csc(-c2ccc(C[NH3+])cc2)n1 ZINC000088870702 359981423 /nfs/dbraw/zinc/98/14/23/359981423.db2.gz QCNSOCCVGUMFNP-JTQLQIEISA-N 1 0 246.379 3.782 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000089214217 360002217 /nfs/dbraw/zinc/00/22/17/360002217.db2.gz SQDSDRRNPMRMNU-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000089214220 360002224 /nfs/dbraw/zinc/00/22/24/360002224.db2.gz SQDSDRRNPMRMNU-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000089214223 345548961 /nfs/dbraw/zinc/54/89/61/345548961.db2.gz SQDSDRRNPMRMNU-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000089214224 345549100 /nfs/dbraw/zinc/54/91/00/345549100.db2.gz SQDSDRRNPMRMNU-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214338 360002167 /nfs/dbraw/zinc/00/21/67/360002167.db2.gz FHTHEGPWPLUPGA-QMTHXVAHSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214339 536174273 /nfs/dbraw/zinc/17/42/73/536174273.db2.gz FHTHEGPWPLUPGA-IINYFYTJSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000089214341 535606452 /nfs/dbraw/zinc/60/64/52/535606452.db2.gz FHTHEGPWPLUPGA-YGRLFVJLSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000089214343 360002191 /nfs/dbraw/zinc/00/21/91/360002191.db2.gz FHTHEGPWPLUPGA-HZMBPMFUSA-N 1 0 221.319 3.591 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCc2ccccc21 ZINC000089516275 644553408 /nfs/dbraw/zinc/55/34/08/644553408.db2.gz DHTBCXNCZREINX-CQSZACIVSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CCc2ccccc21 ZINC000089516276 644553871 /nfs/dbraw/zinc/55/38/71/644553871.db2.gz DHTBCXNCZREINX-AWEZNQCLSA-N 1 0 249.423 3.795 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCSC(C)(C)C)o1 ZINC000089516277 644556361 /nfs/dbraw/zinc/55/63/61/644556361.db2.gz VWIKFKFVILVVRF-LLVKDONJSA-N 1 0 241.400 3.770 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCSC(C)(C)C)o1 ZINC000089516278 644557407 /nfs/dbraw/zinc/55/74/07/644557407.db2.gz VWIKFKFVILVVRF-NSHDSACASA-N 1 0 241.400 3.770 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000089516324 641203876 /nfs/dbraw/zinc/20/38/76/641203876.db2.gz ZXBYUWPONKWULL-JTQLQIEISA-N 1 0 217.422 3.542 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000089516325 644554618 /nfs/dbraw/zinc/55/46/18/644554618.db2.gz ZXBYUWPONKWULL-SNVBAGLBSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)c1ccsc1 ZINC000089516580 385200921 /nfs/dbraw/zinc/20/09/21/385200921.db2.gz LPRTVTSXALGBIV-JTQLQIEISA-N 1 0 243.441 3.930 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)c1ccsc1 ZINC000089516581 385202579 /nfs/dbraw/zinc/20/25/79/385202579.db2.gz LPRTVTSXALGBIV-SNVBAGLBSA-N 1 0 243.441 3.930 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1N(C)C ZINC000089551558 345560808 /nfs/dbraw/zinc/56/08/08/345560808.db2.gz ZIIMPFVEPMCKDE-IPYPFGDCSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1N(C)C ZINC000089551559 345560740 /nfs/dbraw/zinc/56/07/40/345560740.db2.gz ZIIMPFVEPMCKDE-YDHLFZDLSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1N(C)C ZINC000089551560 345560880 /nfs/dbraw/zinc/56/08/80/345560880.db2.gz ZIIMPFVEPMCKDE-VNHYZAJKSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1N(C)C ZINC000089551561 345560814 /nfs/dbraw/zinc/56/08/14/345560814.db2.gz ZIIMPFVEPMCKDE-KCQAQPDRSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccnc1Cl ZINC000089551726 383976061 /nfs/dbraw/zinc/97/60/61/383976061.db2.gz PHQDQERNXNFOSB-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccnc1Cl ZINC000089551727 383977153 /nfs/dbraw/zinc/97/71/53/383977153.db2.gz PHQDQERNXNFOSB-NHCYSSNCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccnc1Cl ZINC000089551728 383976122 /nfs/dbraw/zinc/97/61/22/383976122.db2.gz PHQDQERNXNFOSB-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccnc1Cl ZINC000089551729 383976705 /nfs/dbraw/zinc/97/67/05/383976705.db2.gz PHQDQERNXNFOSB-JBLDHEPKSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccnc(Cl)c1 ZINC000089551814 641837383 /nfs/dbraw/zinc/83/73/83/641837383.db2.gz GPYVYBCRYKKYLN-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000089551815 641836826 /nfs/dbraw/zinc/83/68/26/641836826.db2.gz GPYVYBCRYKKYLN-NHCYSSNCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccnc(Cl)c1 ZINC000089551816 641837077 /nfs/dbraw/zinc/83/70/77/641837077.db2.gz GPYVYBCRYKKYLN-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000089551817 641837666 /nfs/dbraw/zinc/83/76/66/641837666.db2.gz GPYVYBCRYKKYLN-JBLDHEPKSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089552780 387178674 /nfs/dbraw/zinc/17/86/74/387178674.db2.gz WYKGWUBOOZJHSQ-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cncc(F)c1 ZINC000089552781 387179638 /nfs/dbraw/zinc/17/96/38/387179638.db2.gz WYKGWUBOOZJHSQ-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000089552866 388551469 /nfs/dbraw/zinc/55/14/69/388551469.db2.gz FRQIMIWBFWQDSV-UWVGGRQHSA-N 1 0 231.261 3.678 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000089552867 388551343 /nfs/dbraw/zinc/55/13/43/388551343.db2.gz FRQIMIWBFWQDSV-ZJUUUORDSA-N 1 0 231.261 3.678 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1 ZINC000089552899 383976656 /nfs/dbraw/zinc/97/66/56/383976656.db2.gz UKMYTGOPVPBSGA-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccccc1 ZINC000089552900 388737779 /nfs/dbraw/zinc/73/77/79/388737779.db2.gz UKMYTGOPVPBSGA-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000089553025 388551217 /nfs/dbraw/zinc/55/12/17/388551217.db2.gz KZKOQQUKQBYGAF-RYUDHWBXSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCC1 ZINC000089553026 388551156 /nfs/dbraw/zinc/55/11/56/388551156.db2.gz KZKOQQUKQBYGAF-NWDGAFQWSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000089553119 491115156 /nfs/dbraw/zinc/11/51/56/491115156.db2.gz KSSHQKLINFQRKC-WDEREUQCSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000089553121 491115148 /nfs/dbraw/zinc/11/51/48/491115148.db2.gz KSSHQKLINFQRKC-QWRGUYRKSA-N 1 0 246.379 3.863 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089553147 176914355 /nfs/dbraw/zinc/91/43/55/176914355.db2.gz WYKGWUBOOZJHSQ-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089553148 387177947 /nfs/dbraw/zinc/17/79/47/387177947.db2.gz WYKGWUBOOZJHSQ-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000089553233 383976944 /nfs/dbraw/zinc/97/69/44/383976944.db2.gz FRQIMIWBFWQDSV-VHSXEESVSA-N 1 0 231.261 3.678 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000089553234 388551388 /nfs/dbraw/zinc/55/13/88/388551388.db2.gz FRQIMIWBFWQDSV-NXEZZACHSA-N 1 0 231.261 3.678 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccccc1 ZINC000089553266 325666116 /nfs/dbraw/zinc/66/61/16/325666116.db2.gz UKMYTGOPVPBSGA-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccccc1 ZINC000089553267 388737797 /nfs/dbraw/zinc/73/77/97/388737797.db2.gz UKMYTGOPVPBSGA-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000089553356 388590142 /nfs/dbraw/zinc/59/01/42/388590142.db2.gz KZKOQQUKQBYGAF-NEPJUHHUSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000089553357 256826311 /nfs/dbraw/zinc/82/63/11/256826311.db2.gz KZKOQQUKQBYGAF-VXGBXAGGSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccccc2)s1 ZINC000089553429 491115143 /nfs/dbraw/zinc/11/51/43/491115143.db2.gz KSSHQKLINFQRKC-GHMZBOCLSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccccc2)s1 ZINC000089553430 491115153 /nfs/dbraw/zinc/11/51/53/491115153.db2.gz KSSHQKLINFQRKC-MNOVXSKESA-N 1 0 246.379 3.863 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C)CC2)cn1 ZINC000089555272 535066005 /nfs/dbraw/zinc/06/60/05/535066005.db2.gz LJJHQHAOCZCVDK-JVWICGRDSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C2CCC(C)CC2)cn1 ZINC000089555273 360026623 /nfs/dbraw/zinc/02/66/23/360026623.db2.gz LJJHQHAOCZCVDK-OWYJLGKBSA-N 1 0 249.402 3.693 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C2CCC(C)CC2)s1 ZINC000089555288 491115254 /nfs/dbraw/zinc/11/52/54/491115254.db2.gz GODRASFMUJUTAG-YZRBJQDESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C2CCC(C)CC2)s1 ZINC000089555289 491115262 /nfs/dbraw/zinc/11/52/62/491115262.db2.gz GODRASFMUJUTAG-SQLBVSGCSA-N 1 0 238.400 3.681 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC2(C)CCCC2)cn1 ZINC000089555493 360026259 /nfs/dbraw/zinc/02/62/59/360026259.db2.gz XRAMZANWRBUPBT-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC2(C)CCCC2)cn1 ZINC000089555494 360026301 /nfs/dbraw/zinc/02/63/01/360026301.db2.gz XRAMZANWRBUPBT-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC2(C)CCCC2)s1 ZINC000089555503 491115257 /nfs/dbraw/zinc/11/52/57/491115257.db2.gz TVDULYILNBJXSZ-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC2(C)CCCC2)s1 ZINC000089555504 491115260 /nfs/dbraw/zinc/11/52/60/491115260.db2.gz TVDULYILNBJXSZ-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089556516 388550758 /nfs/dbraw/zinc/55/07/58/388550758.db2.gz VGPCUAFPXMBDMR-SNVBAGLBSA-N 1 0 245.288 3.809 20 0 BHADRO CCC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089556517 388551481 /nfs/dbraw/zinc/55/14/81/388551481.db2.gz VGPCUAFPXMBDMR-JTQLQIEISA-N 1 0 245.288 3.809 20 0 BHADRO CC(C)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000089556533 256826328 /nfs/dbraw/zinc/82/63/28/256826328.db2.gz VSHASHJWCMUQJG-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089556568 632659672 /nfs/dbraw/zinc/65/96/72/632659672.db2.gz BHGFVMYRJJAWQC-SNVBAGLBSA-N 1 0 245.288 3.807 20 0 BHADRO CC(C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089556569 135537079 /nfs/dbraw/zinc/53/70/79/135537079.db2.gz BHGFVMYRJJAWQC-JTQLQIEISA-N 1 0 245.288 3.807 20 0 BHADRO c1ccc(C2CCC(C[NH2+]C3CC3)CC2)cc1 ZINC000089556585 388551028 /nfs/dbraw/zinc/55/10/28/388551028.db2.gz HEIGZLUTDQVDPC-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000089556626 175730123 /nfs/dbraw/zinc/73/01/23/175730123.db2.gz PIMWNCNWAAHUPR-VIFPVBQESA-N 1 0 243.272 3.561 20 0 BHADRO C[C@H](C[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000089556627 176679699 /nfs/dbraw/zinc/67/96/99/176679699.db2.gz PIMWNCNWAAHUPR-SECBINFHSA-N 1 0 243.272 3.561 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1ccncc1 ZINC000089557046 383975379 /nfs/dbraw/zinc/97/53/79/383975379.db2.gz QIRRPEZCAGANQY-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1ccncc1 ZINC000089557047 388551131 /nfs/dbraw/zinc/55/11/31/388551131.db2.gz QIRRPEZCAGANQY-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1ccccn1 ZINC000089557065 383975282 /nfs/dbraw/zinc/97/52/82/383975282.db2.gz YDTLXZGJOFLYEJ-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1ccccn1 ZINC000089557066 256577569 /nfs/dbraw/zinc/57/75/69/256577569.db2.gz YDTLXZGJOFLYEJ-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1cccnc1 ZINC000089557085 256577786 /nfs/dbraw/zinc/57/77/86/256577786.db2.gz UEEIIDGPXXYGHP-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1cccnc1 ZINC000089557086 388551330 /nfs/dbraw/zinc/55/13/30/388551330.db2.gz UEEIIDGPXXYGHP-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]CC1CCCCCC1 ZINC000089557979 644556780 /nfs/dbraw/zinc/55/67/80/644556780.db2.gz KRMNEHKESGNOGW-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]CC1CCCCCC1 ZINC000089557983 631509177 /nfs/dbraw/zinc/50/91/77/631509177.db2.gz KRMNEHKESGNOGW-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000089604613 383978836 /nfs/dbraw/zinc/97/88/36/383978836.db2.gz HJWRBSYGXZMVKX-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000089604617 176861257 /nfs/dbraw/zinc/86/12/57/176861257.db2.gz HJWRBSYGXZMVKX-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000089604676 176869801 /nfs/dbraw/zinc/86/98/01/176869801.db2.gz ONDLZYKCBAARBQ-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)c1ccccn1 ZINC000089604678 491116461 /nfs/dbraw/zinc/11/64/61/491116461.db2.gz ONDLZYKCBAARBQ-IHRRRGAJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000089604681 383978337 /nfs/dbraw/zinc/97/83/37/383978337.db2.gz ONDLZYKCBAARBQ-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)c1ccccn1 ZINC000089604683 491116444 /nfs/dbraw/zinc/11/64/44/491116444.db2.gz ONDLZYKCBAARBQ-MELADBBJSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000089606528 711550688 /nfs/dbraw/zinc/55/06/88/711550688.db2.gz WVQMZXHGDMEJIS-RDBSUJKOSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000089606530 711550914 /nfs/dbraw/zinc/55/09/14/711550914.db2.gz WVQMZXHGDMEJIS-HZSPNIEDSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000089607723 383978766 /nfs/dbraw/zinc/97/87/66/383978766.db2.gz IGIMSCYOACPBFV-RDBSUJKOSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000089607724 256526804 /nfs/dbraw/zinc/52/68/04/256526804.db2.gz IGIMSCYOACPBFV-IHRRRGAJSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000089607725 383978642 /nfs/dbraw/zinc/97/86/42/383978642.db2.gz IGIMSCYOACPBFV-HZSPNIEDSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000089607726 384327301 /nfs/dbraw/zinc/32/73/01/384327301.db2.gz IGIMSCYOACPBFV-MELADBBJSA-N 1 0 247.382 3.869 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000089668128 256527765 /nfs/dbraw/zinc/52/77/65/256527765.db2.gz OENFBNRIBPYASQ-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000089668129 384407033 /nfs/dbraw/zinc/40/70/33/384407033.db2.gz OENFBNRIBPYASQ-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000089668130 384406785 /nfs/dbraw/zinc/40/67/85/384406785.db2.gz OENFBNRIBPYASQ-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000089668131 384406287 /nfs/dbraw/zinc/40/62/87/384406287.db2.gz OENFBNRIBPYASQ-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC000089668522 388553008 /nfs/dbraw/zinc/55/30/08/388553008.db2.gz LGTWKARFELZLHV-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC000089668523 388553360 /nfs/dbraw/zinc/55/33/60/388553360.db2.gz LGTWKARFELZLHV-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](COC)c1ccccc1 ZINC000089668524 388553420 /nfs/dbraw/zinc/55/34/20/388553420.db2.gz LGTWKARFELZLHV-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](COC)c1ccccc1 ZINC000089668525 388553017 /nfs/dbraw/zinc/55/30/17/388553017.db2.gz LGTWKARFELZLHV-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CC1 ZINC000089693424 388554826 /nfs/dbraw/zinc/55/48/26/388554826.db2.gz UGPJFHQKMJOWPB-GFCCVEGCSA-N 1 0 242.149 3.733 20 0 BHADRO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CC1 ZINC000089693426 256828450 /nfs/dbraw/zinc/82/84/50/256828450.db2.gz UGPJFHQKMJOWPB-LBPRGKRZSA-N 1 0 242.149 3.733 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccsc2)c(C)o1 ZINC000089725784 642036804 /nfs/dbraw/zinc/03/68/04/642036804.db2.gz MNONWNOQTBEZAJ-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccsc2)c(C)o1 ZINC000089725785 642039165 /nfs/dbraw/zinc/03/91/65/642039165.db2.gz MNONWNOQTBEZAJ-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO CSCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000089910463 259336834 /nfs/dbraw/zinc/33/68/34/259336834.db2.gz KRBNLGZTLDHQSL-CYBMUJFWSA-N 1 0 237.412 3.726 20 0 BHADRO CSCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000089910464 259337032 /nfs/dbraw/zinc/33/70/32/259337032.db2.gz KRBNLGZTLDHQSL-ZDUSSCGKSA-N 1 0 237.412 3.726 20 0 BHADRO CSCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000089912000 259336655 /nfs/dbraw/zinc/33/66/55/259336655.db2.gz JUZAKYBGYSNZCZ-UHFFFAOYSA-N 1 0 243.803 3.528 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000089982800 388743071 /nfs/dbraw/zinc/74/30/71/388743071.db2.gz ZOPZTNBBCBECPA-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000089982801 388743236 /nfs/dbraw/zinc/74/32/36/388743236.db2.gz ZOPZTNBBCBECPA-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027324 360054998 /nfs/dbraw/zinc/05/49/98/360054998.db2.gz VAEGOAVCEJVJJO-GFCCVEGCSA-N 1 0 233.355 3.506 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027328 360055405 /nfs/dbraw/zinc/05/54/05/360055405.db2.gz VAEGOAVCEJVJJO-LBPRGKRZSA-N 1 0 233.355 3.506 20 0 BHADRO c1ccc(C[C@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000090035712 388744706 /nfs/dbraw/zinc/74/47/06/388744706.db2.gz UYHXLCUPHFDLPJ-IRXDYDNUSA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000090035713 388744402 /nfs/dbraw/zinc/74/44/02/388744402.db2.gz UYHXLCUPHFDLPJ-DLBZAZTESA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000090035714 388744198 /nfs/dbraw/zinc/74/41/98/388744198.db2.gz UYHXLCUPHFDLPJ-SJORKVTESA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@@H]([NH2+][C@@H]2CC=CCC2)C2CC2)cc1 ZINC000090035715 388744589 /nfs/dbraw/zinc/74/45/89/388744589.db2.gz UYHXLCUPHFDLPJ-IAGOWNOFSA-N 1 0 241.378 3.706 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000090035720 644576259 /nfs/dbraw/zinc/57/62/59/644576259.db2.gz QKPXUXMZPJDAMG-RYUDHWBXSA-N 1 0 227.417 3.605 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000090035721 644575334 /nfs/dbraw/zinc/57/53/34/644575334.db2.gz QKPXUXMZPJDAMG-NEPJUHHUSA-N 1 0 227.417 3.605 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000090035722 644575917 /nfs/dbraw/zinc/57/59/17/644575917.db2.gz QKPXUXMZPJDAMG-NWDGAFQWSA-N 1 0 227.417 3.605 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000090035723 644576616 /nfs/dbraw/zinc/57/66/16/644576616.db2.gz QKPXUXMZPJDAMG-VXGBXAGGSA-N 1 0 227.417 3.605 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000090035752 388744682 /nfs/dbraw/zinc/74/46/82/388744682.db2.gz XEJSEACJBXSWFT-IVMMDQJWSA-N 1 0 227.351 3.618 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000090035754 388744565 /nfs/dbraw/zinc/74/45/65/388744565.db2.gz XEJSEACJBXSWFT-INWMFGNUSA-N 1 0 227.351 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1N(C)C ZINC000090035776 388744704 /nfs/dbraw/zinc/74/47/04/388744704.db2.gz DEWSTAGZZWYDNA-KBPBESRZSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1N(C)C ZINC000090035777 388744396 /nfs/dbraw/zinc/74/43/96/388744396.db2.gz DEWSTAGZZWYDNA-KGLIPLIRSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1N(C)C ZINC000090035778 388744718 /nfs/dbraw/zinc/74/47/18/388744718.db2.gz DEWSTAGZZWYDNA-UONOGXRCSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1N(C)C ZINC000090035779 388743980 /nfs/dbraw/zinc/74/39/80/388743980.db2.gz DEWSTAGZZWYDNA-ZIAGYGMSSA-N 1 0 244.382 3.512 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC=CCC1)c1ccccn1 ZINC000090035926 360055315 /nfs/dbraw/zinc/05/53/15/360055315.db2.gz PXZKEJUSCOWPOB-ZFWWWQNUSA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccn1 ZINC000090035927 360055059 /nfs/dbraw/zinc/05/50/59/360055059.db2.gz PXZKEJUSCOWPOB-DZGCQCFKSA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccn1 ZINC000090035928 135544784 /nfs/dbraw/zinc/54/47/84/135544784.db2.gz PXZKEJUSCOWPOB-HIFRSBDPSA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccn1 ZINC000090035929 360055350 /nfs/dbraw/zinc/05/53/50/360055350.db2.gz PXZKEJUSCOWPOB-UKRRQHHQSA-N 1 0 230.355 3.621 20 0 BHADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC=CCC1)CCC2 ZINC000090035960 180074457 /nfs/dbraw/zinc/07/44/57/180074457.db2.gz WFYOJHWHAFHNTG-WCQYABFASA-N 1 0 248.395 3.527 20 0 BHADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC=CCC1)CCC2 ZINC000090035961 180074897 /nfs/dbraw/zinc/07/48/97/180074897.db2.gz WFYOJHWHAFHNTG-AAEUAGOBSA-N 1 0 248.395 3.527 20 0 BHADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC=CCC1)CCC2 ZINC000090035962 180074499 /nfs/dbraw/zinc/07/44/99/180074499.db2.gz WFYOJHWHAFHNTG-DGCLKSJQSA-N 1 0 248.395 3.527 20 0 BHADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC=CCC1)CCC2 ZINC000090035963 180074554 /nfs/dbraw/zinc/07/45/54/180074554.db2.gz WFYOJHWHAFHNTG-YPMHNXCESA-N 1 0 248.395 3.527 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000090036182 384554228 /nfs/dbraw/zinc/55/42/28/384554228.db2.gz OPSZYIRRTPFGCI-KBPBESRZSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000090036183 384552315 /nfs/dbraw/zinc/55/23/15/384552315.db2.gz OPSZYIRRTPFGCI-KGLIPLIRSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000090036184 256552967 /nfs/dbraw/zinc/55/29/67/256552967.db2.gz OPSZYIRRTPFGCI-UONOGXRCSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000090036185 384553722 /nfs/dbraw/zinc/55/37/22/384553722.db2.gz OPSZYIRRTPFGCI-ZIAGYGMSSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC=CCC1)c1ccccn1 ZINC000090036186 191023313 /nfs/dbraw/zinc/02/33/13/191023313.db2.gz NCVPBAFNXAJWCO-HOCLYGCPSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccn1 ZINC000090036187 191022883 /nfs/dbraw/zinc/02/28/83/191022883.db2.gz NCVPBAFNXAJWCO-GOEBONIOSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccn1 ZINC000090036188 384025970 /nfs/dbraw/zinc/02/59/70/384025970.db2.gz NCVPBAFNXAJWCO-ZBFHGGJFSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccn1 ZINC000090036189 188318486 /nfs/dbraw/zinc/31/84/86/188318486.db2.gz NCVPBAFNXAJWCO-GDBMZVCRSA-N 1 0 244.382 3.867 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)o1 ZINC000090036190 384025455 /nfs/dbraw/zinc/02/54/55/384025455.db2.gz QFZFVUSZKJKTFP-NEPJUHHUSA-N 1 0 219.328 3.601 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)o1 ZINC000090036191 384026477 /nfs/dbraw/zinc/02/64/77/384026477.db2.gz QFZFVUSZKJKTFP-RYUDHWBXSA-N 1 0 219.328 3.601 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)o1 ZINC000090036192 384553408 /nfs/dbraw/zinc/55/34/08/384553408.db2.gz QFZFVUSZKJKTFP-VXGBXAGGSA-N 1 0 219.328 3.601 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)o1 ZINC000090036193 384552140 /nfs/dbraw/zinc/55/21/40/384552140.db2.gz QFZFVUSZKJKTFP-NWDGAFQWSA-N 1 0 219.328 3.601 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000090036320 491122515 /nfs/dbraw/zinc/12/25/15/491122515.db2.gz CJJGWYVUUHVJFR-DZGCQCFKSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000090036321 491122517 /nfs/dbraw/zinc/12/25/17/491122517.db2.gz CJJGWYVUUHVJFR-ZFWWWQNUSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000090036322 491122511 /nfs/dbraw/zinc/12/25/11/491122511.db2.gz CJJGWYVUUHVJFR-UKRRQHHQSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000090036323 491122516 /nfs/dbraw/zinc/12/25/16/491122516.db2.gz CJJGWYVUUHVJFR-HIFRSBDPSA-N 1 0 231.314 3.511 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000090036328 643322920 /nfs/dbraw/zinc/32/29/20/643322920.db2.gz BVDQUWLYRDXRRZ-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000090036329 643324027 /nfs/dbraw/zinc/32/40/27/643324027.db2.gz BVDQUWLYRDXRRZ-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000090036330 643323975 /nfs/dbraw/zinc/32/39/75/643323975.db2.gz BVDQUWLYRDXRRZ-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000090036331 644576052 /nfs/dbraw/zinc/57/60/52/644576052.db2.gz BVDQUWLYRDXRRZ-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000090036602 384024517 /nfs/dbraw/zinc/02/45/17/384024517.db2.gz LOKBJIRVXVBOIN-NEPJUHHUSA-N 1 0 245.370 3.505 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000090036603 171346494 /nfs/dbraw/zinc/34/64/94/171346494.db2.gz LOKBJIRVXVBOIN-RYUDHWBXSA-N 1 0 245.370 3.505 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000090036604 384025014 /nfs/dbraw/zinc/02/50/14/384025014.db2.gz LOKBJIRVXVBOIN-VXGBXAGGSA-N 1 0 245.370 3.505 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000090036605 171347764 /nfs/dbraw/zinc/34/77/64/171347764.db2.gz LOKBJIRVXVBOIN-NWDGAFQWSA-N 1 0 245.370 3.505 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000090048479 385211270 /nfs/dbraw/zinc/21/12/70/385211270.db2.gz NESCFPWZDJAAOY-ZJUUUORDSA-N 1 0 226.389 3.716 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000090048480 171346469 /nfs/dbraw/zinc/34/64/69/171346469.db2.gz NESCFPWZDJAAOY-UWVGGRQHSA-N 1 0 226.389 3.716 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000090048481 385211239 /nfs/dbraw/zinc/21/12/39/385211239.db2.gz NESCFPWZDJAAOY-NXEZZACHSA-N 1 0 226.389 3.716 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000090048482 171347663 /nfs/dbraw/zinc/34/76/63/171347663.db2.gz NESCFPWZDJAAOY-VHSXEESVSA-N 1 0 226.389 3.716 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]C2CCCC2)cs1 ZINC000090049660 256553860 /nfs/dbraw/zinc/55/38/60/256553860.db2.gz GOOROPCKHBXOKN-SNVBAGLBSA-N 1 0 238.400 3.860 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C2CCCC2)cs1 ZINC000090049663 384553558 /nfs/dbraw/zinc/55/35/58/384553558.db2.gz GOOROPCKHBXOKN-JTQLQIEISA-N 1 0 238.400 3.860 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000090049709 384554998 /nfs/dbraw/zinc/55/49/98/384554998.db2.gz MKFWFNGAJDKZBF-WDEREUQCSA-N 1 0 240.416 3.962 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000090049711 256554507 /nfs/dbraw/zinc/55/45/07/256554507.db2.gz MKFWFNGAJDKZBF-QWRGUYRKSA-N 1 0 240.416 3.962 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000090049713 256554407 /nfs/dbraw/zinc/55/44/07/256554407.db2.gz MKFWFNGAJDKZBF-GHMZBOCLSA-N 1 0 240.416 3.962 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000090049715 256553868 /nfs/dbraw/zinc/55/38/68/256553868.db2.gz MKFWFNGAJDKZBF-MNOVXSKESA-N 1 0 240.416 3.962 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2o1)C1(C)CC1 ZINC000090076564 518183263 /nfs/dbraw/zinc/18/32/63/518183263.db2.gz GHFDEIORIJQKIY-LBPRGKRZSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)C1(C)CC1 ZINC000090076565 388744917 /nfs/dbraw/zinc/74/49/17/388744917.db2.gz GHFDEIORIJQKIY-GFCCVEGCSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2o1)C1CCC1 ZINC000090076657 388744957 /nfs/dbraw/zinc/74/49/57/388744957.db2.gz FILMPJGODSLWLW-LBPRGKRZSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)C1CCC1 ZINC000090076658 325674749 /nfs/dbraw/zinc/67/47/49/325674749.db2.gz FILMPJGODSLWLW-GFCCVEGCSA-N 1 0 243.350 3.754 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000090076678 388745352 /nfs/dbraw/zinc/74/53/52/388745352.db2.gz JIVWUMSVKCTYKL-GFCCVEGCSA-N 1 0 231.339 3.609 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000090076679 385276037 /nfs/dbraw/zinc/27/60/37/385276037.db2.gz JIVWUMSVKCTYKL-LBPRGKRZSA-N 1 0 231.339 3.609 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cncc(F)c1 ZINC000090076896 384573993 /nfs/dbraw/zinc/57/39/93/384573993.db2.gz UOVPQZUEHPQYEO-NSHDSACASA-N 1 0 238.350 3.698 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cncc(F)c1 ZINC000090076897 256554638 /nfs/dbraw/zinc/55/46/38/256554638.db2.gz UOVPQZUEHPQYEO-LLVKDONJSA-N 1 0 238.350 3.698 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCC(C)(C)C)c(C)n1 ZINC000090076922 345564838 /nfs/dbraw/zinc/56/48/38/345564838.db2.gz NQOSOYNUGHQYIZ-LLVKDONJSA-N 1 0 249.402 3.570 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCC(C)(C)C)c(C)n1 ZINC000090076923 345564696 /nfs/dbraw/zinc/56/46/96/345564696.db2.gz NQOSOYNUGHQYIZ-NSHDSACASA-N 1 0 249.402 3.570 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccccn1 ZINC000090076942 384029182 /nfs/dbraw/zinc/02/91/82/384029182.db2.gz PBBKIIBTFLWTPA-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccccn1 ZINC000090076943 384030153 /nfs/dbraw/zinc/03/01/53/384030153.db2.gz PBBKIIBTFLWTPA-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccncc1 ZINC000090076944 388745196 /nfs/dbraw/zinc/74/51/96/388745196.db2.gz OYGRVMHFOXWJDM-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccncc1 ZINC000090076945 325674811 /nfs/dbraw/zinc/67/48/11/325674811.db2.gz OYGRVMHFOXWJDM-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cccnc1 ZINC000090076946 176842580 /nfs/dbraw/zinc/84/25/80/176842580.db2.gz USLLZWCXLDUMGF-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cccnc1 ZINC000090076947 384029660 /nfs/dbraw/zinc/02/96/60/384029660.db2.gz USLLZWCXLDUMGF-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1nccs1 ZINC000090076954 384574895 /nfs/dbraw/zinc/57/48/95/384574895.db2.gz NZPXCRLSXYVXOQ-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1nccs1 ZINC000090076955 388745010 /nfs/dbraw/zinc/74/50/10/388745010.db2.gz NZPXCRLSXYVXOQ-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccc(F)cn1 ZINC000090076984 364661875 /nfs/dbraw/zinc/66/18/75/364661875.db2.gz CSJTVDZXKBRPRB-NSHDSACASA-N 1 0 238.350 3.698 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccc(F)cn1 ZINC000090076985 345563657 /nfs/dbraw/zinc/56/36/57/345563657.db2.gz CSJTVDZXKBRPRB-LLVKDONJSA-N 1 0 238.350 3.698 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccco1 ZINC000090077004 388745202 /nfs/dbraw/zinc/74/52/02/388745202.db2.gz DQXCMGSMMOYFKV-NSHDSACASA-N 1 0 209.333 3.757 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccco1 ZINC000090077005 385276716 /nfs/dbraw/zinc/27/67/16/385276716.db2.gz DQXCMGSMMOYFKV-LLVKDONJSA-N 1 0 209.333 3.757 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCC(C)(C)C)s1 ZINC000090077050 491122689 /nfs/dbraw/zinc/12/26/89/491122689.db2.gz QMSSCEGVWPAMLV-SNVBAGLBSA-N 1 0 240.416 3.928 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCC(C)(C)C)s1 ZINC000090077051 491122687 /nfs/dbraw/zinc/12/26/87/491122687.db2.gz QMSSCEGVWPAMLV-JTQLQIEISA-N 1 0 240.416 3.928 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000090085129 368967318 /nfs/dbraw/zinc/96/73/18/368967318.db2.gz FHJUKRQRXOLOSS-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000090085134 368967334 /nfs/dbraw/zinc/96/73/34/368967334.db2.gz FHJUKRQRXOLOSS-MJBXVCDLSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1 ZINC000090085745 345569371 /nfs/dbraw/zinc/56/93/71/345569371.db2.gz TWUBOWGRCXYQAD-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1 ZINC000090085747 345569476 /nfs/dbraw/zinc/56/94/76/345569476.db2.gz TWUBOWGRCXYQAD-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccccc1 ZINC000090085749 345569762 /nfs/dbraw/zinc/56/97/62/345569762.db2.gz TWUBOWGRCXYQAD-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccccc1 ZINC000090085750 345569708 /nfs/dbraw/zinc/56/97/08/345569708.db2.gz TWUBOWGRCXYQAD-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000090086611 345569604 /nfs/dbraw/zinc/56/96/04/345569604.db2.gz LAOQTRXUVWCELL-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000090086613 345569500 /nfs/dbraw/zinc/56/95/00/345569500.db2.gz LAOQTRXUVWCELL-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000090086614 345569689 /nfs/dbraw/zinc/56/96/89/345569689.db2.gz LAOQTRXUVWCELL-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000090086617 345569663 /nfs/dbraw/zinc/56/96/63/345569663.db2.gz LAOQTRXUVWCELL-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000090105344 344266289 /nfs/dbraw/zinc/26/62/89/344266289.db2.gz IZWOYBRJTAJSCR-JGGQBBKZSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000090105351 345570690 /nfs/dbraw/zinc/57/06/90/345570690.db2.gz IZWOYBRJTAJSCR-BJJXKVORSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090106176 345570618 /nfs/dbraw/zinc/57/06/18/345570618.db2.gz WRCCQPWHHNOIIB-ADEWGFFLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090106181 345570658 /nfs/dbraw/zinc/57/06/58/345570658.db2.gz WRCCQPWHHNOIIB-USWWRNFRSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090116961 385217382 /nfs/dbraw/zinc/21/73/82/385217382.db2.gz WHRFGTBWIYTYOT-UTUOFQBUSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090116962 171295291 /nfs/dbraw/zinc/29/52/91/171295291.db2.gz WHRFGTBWIYTYOT-TUAOUCFPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090116963 385217350 /nfs/dbraw/zinc/21/73/50/385217350.db2.gz WHRFGTBWIYTYOT-WOPDTQHZSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090116964 171297969 /nfs/dbraw/zinc/29/79/69/171297969.db2.gz WHRFGTBWIYTYOT-SRVKXCTJSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000090116990 344266707 /nfs/dbraw/zinc/26/67/07/344266707.db2.gz HHYAGHCRQGGWGI-TUAOUCFPSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000090116992 345570536 /nfs/dbraw/zinc/57/05/36/345570536.db2.gz HHYAGHCRQGGWGI-SRVKXCTJSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090117231 491123027 /nfs/dbraw/zinc/12/30/27/491123027.db2.gz SASLXTOUFQQHIG-AXFHLTTASA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090117233 491123047 /nfs/dbraw/zinc/12/30/47/491123047.db2.gz SASLXTOUFQQHIG-DCAQKATOSA-N 1 0 240.416 3.927 20 0 BHADRO C=CCC[C@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117637 635411331 /nfs/dbraw/zinc/41/13/31/635411331.db2.gz ZBUMSZQWBIFNPB-AWEZNQCLSA-N 1 0 246.329 3.532 20 0 BHADRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117638 635413713 /nfs/dbraw/zinc/41/37/13/635413713.db2.gz ZBUMSZQWBIFNPB-CQSZACIVSA-N 1 0 246.329 3.532 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118341 491123010 /nfs/dbraw/zinc/12/30/10/491123010.db2.gz BRWNGHZPTFZTOF-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118342 491123008 /nfs/dbraw/zinc/12/30/08/491123008.db2.gz BRWNGHZPTFZTOF-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118344 642518587 /nfs/dbraw/zinc/51/85/87/642518587.db2.gz BRWNGHZPTFZTOF-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118347 642518219 /nfs/dbraw/zinc/51/82/19/642518219.db2.gz BRWNGHZPTFZTOF-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc2ccccc2n1 ZINC000090118459 642517204 /nfs/dbraw/zinc/51/72/04/642517204.db2.gz IQLXMHGZVYYLJU-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc2ccccc2n1 ZINC000090118461 491123029 /nfs/dbraw/zinc/12/30/29/491123029.db2.gz IQLXMHGZVYYLJU-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1CC1)c1ccccn1 ZINC000090118691 491123030 /nfs/dbraw/zinc/12/30/30/491123030.db2.gz QBUYCBVHAMVYIY-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1CC1)c1ccccn1 ZINC000090118693 491123032 /nfs/dbraw/zinc/12/30/32/491123032.db2.gz QBUYCBVHAMVYIY-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1CC1 ZINC000090118718 491123064 /nfs/dbraw/zinc/12/30/64/491123064.db2.gz YDCQDMPFHSAMSY-HNNXBMFYSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CC1 ZINC000090118720 491123058 /nfs/dbraw/zinc/12/30/58/491123058.db2.gz YDCQDMPFHSAMSY-OAHLLOKOSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)CCCO2 ZINC000090118801 491123092 /nfs/dbraw/zinc/12/30/92/491123092.db2.gz ZYFCXTZJBNAZKJ-OAHLLOKOSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)CCCO2 ZINC000090118804 491123073 /nfs/dbraw/zinc/12/30/73/491123073.db2.gz ZYFCXTZJBNAZKJ-HNNXBMFYSA-N 1 0 245.366 3.598 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cc(F)c(F)c(F)c1 ZINC000090118826 491123033 /nfs/dbraw/zinc/12/30/33/491123033.db2.gz AYZSFXBLDZYLMY-QMMMGPOBSA-N 1 0 243.272 3.555 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cc(F)c(F)c(F)c1 ZINC000090118828 491123083 /nfs/dbraw/zinc/12/30/83/491123083.db2.gz AYZSFXBLDZYLMY-MRVPVSSYSA-N 1 0 243.272 3.555 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000090118834 364661780 /nfs/dbraw/zinc/66/17/80/364661780.db2.gz LDQUPOWONBNMKH-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CCC2CC2)c1 ZINC000090118835 345571510 /nfs/dbraw/zinc/57/15/10/345571510.db2.gz LDQUPOWONBNMKH-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO C(=C\c1ccccc1)\CC[NH+]1CCCCC1 ZINC000090196218 345567261 /nfs/dbraw/zinc/56/72/61/345567261.db2.gz GNFJYGXHBVPCMC-WZUFQYTHSA-N 1 0 215.340 3.576 20 0 BHADRO C(=C/c1ccccc1)\CC[NH+]1CCCCC1 ZINC000090196219 345567257 /nfs/dbraw/zinc/56/72/57/345567257.db2.gz GNFJYGXHBVPCMC-VZUCSPMQSA-N 1 0 215.340 3.576 20 0 BHADRO Cc1ccccc1[C@@H](C)SCCn1ccnc1 ZINC000090202513 179323257 /nfs/dbraw/zinc/32/32/57/179323257.db2.gz RQXSCKAMLKFBNX-CYBMUJFWSA-N 1 0 246.379 3.686 20 0 BHADRO Cc1ccccc1[C@H](C)SCCn1ccnc1 ZINC000090202514 179340946 /nfs/dbraw/zinc/34/09/46/179340946.db2.gz RQXSCKAMLKFBNX-ZDUSSCGKSA-N 1 0 246.379 3.686 20 0 BHADRO CC(C)n1cncc1C[NH2+]C1CCCCCCC1 ZINC000090207507 644585097 /nfs/dbraw/zinc/58/50/97/644585097.db2.gz LKZQFVFAGYUSML-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C(C)C ZINC000090208056 360064736 /nfs/dbraw/zinc/06/47/36/360064736.db2.gz NZSIKRNMTJEEQH-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C(C)C ZINC000090208057 135547863 /nfs/dbraw/zinc/54/78/63/135547863.db2.gz NZSIKRNMTJEEQH-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C(C)C ZINC000090208058 360064632 /nfs/dbraw/zinc/06/46/32/360064632.db2.gz NZSIKRNMTJEEQH-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1C(C)C ZINC000090208059 135547590 /nfs/dbraw/zinc/54/75/90/135547590.db2.gz NZSIKRNMTJEEQH-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+]CCC1CCCCC1 ZINC000090208521 360064678 /nfs/dbraw/zinc/06/46/78/360064678.db2.gz KZGDDUPFELRMDV-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000090209057 535105196 /nfs/dbraw/zinc/10/51/96/535105196.db2.gz FDWJMYNMDINFHT-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@H](C)C1CCCCC1 ZINC000090209058 135547257 /nfs/dbraw/zinc/54/72/57/135547257.db2.gz FDWJMYNMDINFHT-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+]C1CCC(C)(C)CC1 ZINC000090209413 535102371 /nfs/dbraw/zinc/10/23/71/535102371.db2.gz YITWDXWHLQNKKS-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090209448 135547971 /nfs/dbraw/zinc/54/79/71/135547971.db2.gz CIBKHPUBKPTWPV-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090209449 536077067 /nfs/dbraw/zinc/07/70/67/536077067.db2.gz CIBKHPUBKPTWPV-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090209450 360065588 /nfs/dbraw/zinc/06/55/88/360065588.db2.gz CIBKHPUBKPTWPV-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090209451 360066045 /nfs/dbraw/zinc/06/60/45/360066045.db2.gz CIBKHPUBKPTWPV-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cncn1C(C)C ZINC000090209465 360066263 /nfs/dbraw/zinc/06/62/63/360066263.db2.gz CSWDZYDOVIVCKQ-UHFFFAOYSA-N 1 0 237.391 3.522 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000090219408 384035778 /nfs/dbraw/zinc/03/57/78/384035778.db2.gz UJBCVDYLUAGCLM-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000090219409 256580245 /nfs/dbraw/zinc/58/02/45/256580245.db2.gz UJBCVDYLUAGCLM-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[C@H]([NH2+]CC1(CC)CC1)c1ccccn1 ZINC000090219523 360065611 /nfs/dbraw/zinc/06/56/11/360065611.db2.gz XLPCKPFWRWBCIA-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(CC)CC1)c1ccccn1 ZINC000090219524 360065594 /nfs/dbraw/zinc/06/55/94/360065594.db2.gz XLPCKPFWRWBCIA-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000090219591 384036853 /nfs/dbraw/zinc/03/68/53/384036853.db2.gz KXPYVUAVCKLPLV-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000090219592 384036872 /nfs/dbraw/zinc/03/68/72/384036872.db2.gz KXPYVUAVCKLPLV-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000090219619 384634548 /nfs/dbraw/zinc/63/45/48/384634548.db2.gz NPJVOUBLXOXWMD-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000090219620 256557865 /nfs/dbraw/zinc/55/78/65/256557865.db2.gz NPJVOUBLXOXWMD-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO CCC1(C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000090219637 535296784 /nfs/dbraw/zinc/29/67/84/535296784.db2.gz CUCZLECIMYLBNJ-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000090219638 360065750 /nfs/dbraw/zinc/06/57/50/360065750.db2.gz CUCZLECIMYLBNJ-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000090219690 644584360 /nfs/dbraw/zinc/58/43/60/644584360.db2.gz CRILKZJPUOCEHA-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000090219691 644584803 /nfs/dbraw/zinc/58/48/03/644584803.db2.gz CRILKZJPUOCEHA-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000090219694 385217369 /nfs/dbraw/zinc/21/73/69/385217369.db2.gz LROUGZJMLGRUQR-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccs2)CC1 ZINC000090219695 385217257 /nfs/dbraw/zinc/21/72/57/385217257.db2.gz LROUGZJMLGRUQR-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000090219713 384635466 /nfs/dbraw/zinc/63/54/66/384635466.db2.gz YOWFCCQSICCILZ-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000090219714 256558177 /nfs/dbraw/zinc/55/81/77/256558177.db2.gz YOWFCCQSICCILZ-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000090219739 384035522 /nfs/dbraw/zinc/03/55/22/384035522.db2.gz CXZNCRYZZSTQRY-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000090219740 384034626 /nfs/dbraw/zinc/03/46/26/384034626.db2.gz CXZNCRYZZSTQRY-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000090219764 384635394 /nfs/dbraw/zinc/63/53/94/384635394.db2.gz DEBSNPBNZCGAMP-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000090219765 384635188 /nfs/dbraw/zinc/63/51/88/384635188.db2.gz DEBSNPBNZCGAMP-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000090219812 384035992 /nfs/dbraw/zinc/03/59/92/384035992.db2.gz BQDPWUFUIDTJPE-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000090219813 256580421 /nfs/dbraw/zinc/58/04/21/256580421.db2.gz BQDPWUFUIDTJPE-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC1(C)CCC1 ZINC000090219832 642312953 /nfs/dbraw/zinc/31/29/53/642312953.db2.gz NIMBPZKYIDRIOJ-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC1(C)CCC1 ZINC000090219833 642312336 /nfs/dbraw/zinc/31/23/36/642312336.db2.gz NIMBPZKYIDRIOJ-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CCC1)c1ccccn1 ZINC000090219925 535701215 /nfs/dbraw/zinc/70/12/15/535701215.db2.gz LOZHTKUGEDLOFQ-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CCC1)c1ccccn1 ZINC000090219926 360065828 /nfs/dbraw/zinc/06/58/28/360065828.db2.gz LOZHTKUGEDLOFQ-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cccnc1Cl ZINC000090219997 384036177 /nfs/dbraw/zinc/03/61/77/384036177.db2.gz MEKBGDPTCPDDOQ-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccnc1Cl ZINC000090219998 384035031 /nfs/dbraw/zinc/03/50/31/384035031.db2.gz MEKBGDPTCPDDOQ-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1(C)CCC1)c1ccccn1 ZINC000090220039 360065650 /nfs/dbraw/zinc/06/56/50/360065650.db2.gz SCYDWIVFLFEPGW-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1(C)CCC1)c1ccccn1 ZINC000090220040 135547878 /nfs/dbraw/zinc/54/78/78/135547878.db2.gz SCYDWIVFLFEPGW-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccnc(Cl)c1 ZINC000090220092 631524742 /nfs/dbraw/zinc/52/47/42/631524742.db2.gz WQHNXKQAJJXANW-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccnc(Cl)c1 ZINC000090220093 644585129 /nfs/dbraw/zinc/58/51/29/644585129.db2.gz WQHNXKQAJJXANW-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cccs1 ZINC000090220098 256558181 /nfs/dbraw/zinc/55/81/81/256558181.db2.gz WGQUYHYTFVOCQK-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccs1 ZINC000090220099 384634869 /nfs/dbraw/zinc/63/48/69/384634869.db2.gz WGQUYHYTFVOCQK-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000090220115 256558137 /nfs/dbraw/zinc/55/81/37/256558137.db2.gz IGWSSHFWBSWFQX-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000090220116 384635443 /nfs/dbraw/zinc/63/54/43/384635443.db2.gz IGWSSHFWBSWFQX-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000090220149 384036357 /nfs/dbraw/zinc/03/63/57/384036357.db2.gz QRKHMHJIOPKYSB-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000090220150 384036293 /nfs/dbraw/zinc/03/62/93/384036293.db2.gz QRKHMHJIOPKYSB-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccsc1 ZINC000090220163 384036579 /nfs/dbraw/zinc/03/65/79/384036579.db2.gz KCUKJEMBALSYJC-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccsc1 ZINC000090220164 384635518 /nfs/dbraw/zinc/63/55/18/384635518.db2.gz KCUKJEMBALSYJC-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1ccccn1 ZINC000090228153 388746591 /nfs/dbraw/zinc/74/65/91/388746591.db2.gz VCGMIOYXRINENI-ZDUSSCGKSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)c1ccccn1 ZINC000090228155 388746730 /nfs/dbraw/zinc/74/67/30/388746730.db2.gz VCGMIOYXRINENI-CYBMUJFWSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1ccncc1 ZINC000090228156 325675399 /nfs/dbraw/zinc/67/53/99/325675399.db2.gz LJTZTMFMOPXKDN-ZDUSSCGKSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)c1ccncc1 ZINC000090228158 388746680 /nfs/dbraw/zinc/74/66/80/388746680.db2.gz LJTZTMFMOPXKDN-CYBMUJFWSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1cccnc1 ZINC000090228159 388746677 /nfs/dbraw/zinc/74/66/77/388746677.db2.gz PVJUCCUFQBZRAW-ZDUSSCGKSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)c1cccnc1 ZINC000090228160 325675400 /nfs/dbraw/zinc/67/54/00/325675400.db2.gz PVJUCCUFQBZRAW-CYBMUJFWSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1nccs1 ZINC000090228170 384034989 /nfs/dbraw/zinc/03/49/89/384034989.db2.gz JOXWDIITDZUGSH-NSHDSACASA-N 1 0 240.416 3.866 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)c1nccs1 ZINC000090228172 384036089 /nfs/dbraw/zinc/03/60/89/384036089.db2.gz JOXWDIITDZUGSH-LLVKDONJSA-N 1 0 240.416 3.866 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000090230417 388746694 /nfs/dbraw/zinc/74/66/94/388746694.db2.gz BJJGYMQSUVQPMS-ZDUSSCGKSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)CCc2ccco2)CC1 ZINC000090230419 325675396 /nfs/dbraw/zinc/67/53/96/325675396.db2.gz BJJGYMQSUVQPMS-CYBMUJFWSA-N 1 0 235.371 3.627 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000090230487 384034798 /nfs/dbraw/zinc/03/47/98/384034798.db2.gz LQJHSCGTFOBJRK-GFCCVEGCSA-N 1 0 221.344 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000090230489 384036937 /nfs/dbraw/zinc/03/69/37/384036937.db2.gz LQJHSCGTFOBJRK-LBPRGKRZSA-N 1 0 221.344 3.675 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(C)C)CC1)c1ccccn1 ZINC000090230607 388746412 /nfs/dbraw/zinc/74/64/12/388746412.db2.gz ZOSDZTQPDLPKFE-AWEZNQCLSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(C)C)CC1)c1ccccn1 ZINC000090230608 388746416 /nfs/dbraw/zinc/74/64/16/388746416.db2.gz ZOSDZTQPDLPKFE-CQSZACIVSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000090230823 256557718 /nfs/dbraw/zinc/55/77/18/256557718.db2.gz MPLMNAJGPQPBJL-NSHDSACASA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)c2cccs2)CC1 ZINC000090230824 384639791 /nfs/dbraw/zinc/63/97/91/384639791.db2.gz MPLMNAJGPQPBJL-LLVKDONJSA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000090230902 384637592 /nfs/dbraw/zinc/63/75/92/384637592.db2.gz KOQMAEVRMNWILG-NSHDSACASA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000090230904 384637869 /nfs/dbraw/zinc/63/78/69/384637869.db2.gz KOQMAEVRMNWILG-LLVKDONJSA-N 1 0 223.385 3.835 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC2(C(C)C)CC2)cn1 ZINC000090230933 135548943 /nfs/dbraw/zinc/54/89/43/135548943.db2.gz SBBUXLBKPQUTCN-ZDUSSCGKSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cn1 ZINC000090230935 360067033 /nfs/dbraw/zinc/06/70/33/360067033.db2.gz SBBUXLBKPQUTCN-CYBMUJFWSA-N 1 0 249.402 3.551 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC2(C(C)C)CC2)s1 ZINC000090230960 537955835 /nfs/dbraw/zinc/95/58/35/537955835.db2.gz QZJNGJVVUVTUIC-SNVBAGLBSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC2(C(C)C)CC2)s1 ZINC000090230962 537955615 /nfs/dbraw/zinc/95/56/15/537955615.db2.gz QZJNGJVVUVTUIC-JTQLQIEISA-N 1 0 238.400 3.538 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000090233209 491123909 /nfs/dbraw/zinc/12/39/09/491123909.db2.gz HPMVVHGFIFJJSB-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000090233211 491123893 /nfs/dbraw/zinc/12/38/93/491123893.db2.gz HPMVVHGFIFJJSB-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[C@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000090233456 643325251 /nfs/dbraw/zinc/32/52/51/643325251.db2.gz DBJHCLCOBHODML-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000090233458 643077257 /nfs/dbraw/zinc/07/72/57/643077257.db2.gz DBJHCLCOBHODML-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCC2CCC2)c1 ZINC000090233494 631240015 /nfs/dbraw/zinc/24/00/15/631240015.db2.gz OEOSMCFEEINTLN-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCC2CCC2)c1 ZINC000090233495 491123824 /nfs/dbraw/zinc/12/38/24/491123824.db2.gz OEOSMCFEEINTLN-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cccnc1Cl ZINC000090233583 631525690 /nfs/dbraw/zinc/52/56/90/631525690.db2.gz PAKHUKPRHKWAGT-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cccnc1Cl ZINC000090233585 631526633 /nfs/dbraw/zinc/52/66/33/631526633.db2.gz PAKHUKPRHKWAGT-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000090233677 643078566 /nfs/dbraw/zinc/07/85/66/643078566.db2.gz ZZYZDXYQSGKWCQ-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000090233679 643078752 /nfs/dbraw/zinc/07/87/52/643078752.db2.gz ZZYZDXYQSGKWCQ-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccnc(Cl)c1 ZINC000090233789 631524556 /nfs/dbraw/zinc/52/45/56/631524556.db2.gz PAKJJBJYTUXLOQ-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccnc(Cl)c1 ZINC000090233791 643079246 /nfs/dbraw/zinc/07/92/46/643079246.db2.gz PAKJJBJYTUXLOQ-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cccs1 ZINC000090233793 491124149 /nfs/dbraw/zinc/12/41/49/491124149.db2.gz CSDKOJYWHLHRSL-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cccs1 ZINC000090233795 491124150 /nfs/dbraw/zinc/12/41/50/491124150.db2.gz CSDKOJYWHLHRSL-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000090233831 643078967 /nfs/dbraw/zinc/07/89/67/643078967.db2.gz BFURFFOKGBNVJA-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC1CCC1 ZINC000090233833 643078924 /nfs/dbraw/zinc/07/89/24/643078924.db2.gz BFURFFOKGBNVJA-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC2CCC2)cc1 ZINC000090233897 491124152 /nfs/dbraw/zinc/12/41/52/491124152.db2.gz WAHBBJZYZLAWBH-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC2CCC2)cc1 ZINC000090233898 491124136 /nfs/dbraw/zinc/12/41/36/491124136.db2.gz WAHBBJZYZLAWBH-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccsc1 ZINC000090233938 491124146 /nfs/dbraw/zinc/12/41/46/491124146.db2.gz BJXVXURZNVVSPH-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccsc1 ZINC000090233941 491124135 /nfs/dbraw/zinc/12/41/35/491124135.db2.gz BJXVXURZNVVSPH-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000090234443 385219302 /nfs/dbraw/zinc/21/93/02/385219302.db2.gz ODWHDFXDXKGIDC-ZDUSSCGKSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000090234445 385217523 /nfs/dbraw/zinc/21/75/23/385217523.db2.gz ODWHDFXDXKGIDC-CYBMUJFWSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000090234477 384638810 /nfs/dbraw/zinc/63/88/10/384638810.db2.gz KYKGRFFGXMXLLE-NSHDSACASA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2nccs2)CC1 ZINC000090234480 384639716 /nfs/dbraw/zinc/63/97/16/384639716.db2.gz KYKGRFFGXMXLLE-LLVKDONJSA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccco2)CC1 ZINC000090234597 384639402 /nfs/dbraw/zinc/63/94/02/384639402.db2.gz ATPGCCMMBJKPKU-LBPRGKRZSA-N 1 0 221.344 3.757 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccco2)CC1 ZINC000090234598 384639062 /nfs/dbraw/zinc/63/90/62/384639062.db2.gz ATPGCCMMBJKPKU-GFCCVEGCSA-N 1 0 221.344 3.757 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000090339600 643242730 /nfs/dbraw/zinc/24/27/30/643242730.db2.gz NFPCUSTWZJSFFV-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000090339601 643243991 /nfs/dbraw/zinc/24/39/91/643243991.db2.gz NFPCUSTWZJSFFV-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000090339602 643243412 /nfs/dbraw/zinc/24/34/12/643243412.db2.gz NFPCUSTWZJSFFV-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000090339603 643242359 /nfs/dbraw/zinc/24/23/59/643242359.db2.gz NFPCUSTWZJSFFV-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090339608 398278454 /nfs/dbraw/zinc/27/84/54/398278454.db2.gz MVUJGOHWSKCTNX-OLZOCXBDSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090339609 398278240 /nfs/dbraw/zinc/27/82/40/398278240.db2.gz MVUJGOHWSKCTNX-STQMWFEESA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000090339644 384043139 /nfs/dbraw/zinc/04/31/39/384043139.db2.gz CNTCQAVIARLKOU-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000090339645 256580606 /nfs/dbraw/zinc/58/06/06/256580606.db2.gz CNTCQAVIARLKOU-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000090339646 256580320 /nfs/dbraw/zinc/58/03/20/256580320.db2.gz CNTCQAVIARLKOU-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000090339647 384042712 /nfs/dbraw/zinc/04/27/12/384042712.db2.gz CNTCQAVIARLKOU-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000090339866 398278496 /nfs/dbraw/zinc/27/84/96/398278496.db2.gz VIMCEZPESRKBGB-DYEKYZERSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000090339867 398278292 /nfs/dbraw/zinc/27/82/92/398278292.db2.gz VIMCEZPESRKBGB-OBJOEFQTSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000090339868 398278412 /nfs/dbraw/zinc/27/84/12/398278412.db2.gz VIMCEZPESRKBGB-MBNYWOFBSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000090339869 398278503 /nfs/dbraw/zinc/27/85/03/398278503.db2.gz VIMCEZPESRKBGB-SGMGOOAPSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000090339874 256559095 /nfs/dbraw/zinc/55/90/95/256559095.db2.gz XBUNZEXVRGKVOR-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090339913 384042265 /nfs/dbraw/zinc/04/22/65/384042265.db2.gz YSXVEAQOTGTYFX-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CC(C)OC1CCC([NH2+]C2CCCCC2)CC1 ZINC000090372133 491124571 /nfs/dbraw/zinc/12/45/71/491124571.db2.gz HXBHURXSXGFWAS-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCCC1)c1cccs1 ZINC000090392731 384749899 /nfs/dbraw/zinc/74/98/99/384749899.db2.gz XOCSWHRLWMJBJG-RYUDHWBXSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCCC1)c1cccs1 ZINC000090392732 384748192 /nfs/dbraw/zinc/74/81/92/384748192.db2.gz XOCSWHRLWMJBJG-NWDGAFQWSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCCC1)c1cccs1 ZINC000090392733 384749325 /nfs/dbraw/zinc/74/93/25/384749325.db2.gz XOCSWHRLWMJBJG-NEPJUHHUSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccs1 ZINC000090392734 384749723 /nfs/dbraw/zinc/74/97/23/384749723.db2.gz XOCSWHRLWMJBJG-VXGBXAGGSA-N 1 0 221.369 3.898 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000090393233 644590260 /nfs/dbraw/zinc/59/02/60/644590260.db2.gz ABXFXTVGDJOQQR-ZFWWWQNUSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000090393234 644590270 /nfs/dbraw/zinc/59/02/70/644590270.db2.gz ABXFXTVGDJOQQR-HIFRSBDPSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000090393235 644589817 /nfs/dbraw/zinc/58/98/17/644589817.db2.gz ABXFXTVGDJOQQR-DZGCQCFKSA-N 1 0 244.382 3.512 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000090393236 644590108 /nfs/dbraw/zinc/59/01/08/644590108.db2.gz ABXFXTVGDJOQQR-UKRRQHHQSA-N 1 0 244.382 3.512 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)s1 ZINC000090393267 644590194 /nfs/dbraw/zinc/59/01/94/644590194.db2.gz PLAPVYMEYPVNON-NEPJUHHUSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)s1 ZINC000090393268 644590297 /nfs/dbraw/zinc/59/02/97/644590297.db2.gz PLAPVYMEYPVNON-RYUDHWBXSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)s1 ZINC000090393269 644589718 /nfs/dbraw/zinc/58/97/18/644589718.db2.gz PLAPVYMEYPVNON-VXGBXAGGSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)s1 ZINC000090393270 644589858 /nfs/dbraw/zinc/58/98/58/644589858.db2.gz PLAPVYMEYPVNON-NWDGAFQWSA-N 1 0 221.369 3.816 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000090393415 345567789 /nfs/dbraw/zinc/56/77/89/345567789.db2.gz WUWPCJDPAUGVSL-KGLIPLIRSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000090393416 345567557 /nfs/dbraw/zinc/56/75/57/345567557.db2.gz WUWPCJDPAUGVSL-KBPBESRZSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000090393417 345568004 /nfs/dbraw/zinc/56/80/04/345568004.db2.gz WUWPCJDPAUGVSL-ZIAGYGMSSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000090393418 345567972 /nfs/dbraw/zinc/56/79/72/345567972.db2.gz WUWPCJDPAUGVSL-UONOGXRCSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000090393419 388747428 /nfs/dbraw/zinc/74/74/28/388747428.db2.gz OSTHLGXDOKUKGM-AAEUAGOBSA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000090393420 388746993 /nfs/dbraw/zinc/74/69/93/388746993.db2.gz OSTHLGXDOKUKGM-YPMHNXCESA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000090393421 388747088 /nfs/dbraw/zinc/74/70/88/388747088.db2.gz OSTHLGXDOKUKGM-WCQYABFASA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000090393422 388747347 /nfs/dbraw/zinc/74/73/47/388747347.db2.gz OSTHLGXDOKUKGM-DGCLKSJQSA-N 1 0 249.329 3.594 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccs1 ZINC000090393428 353387426 /nfs/dbraw/zinc/38/74/26/353387426.db2.gz DHUIHDONLIHRGI-MNOVXSKESA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccs1 ZINC000090393430 353387733 /nfs/dbraw/zinc/38/77/33/353387733.db2.gz DHUIHDONLIHRGI-GHMZBOCLSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393523 345567982 /nfs/dbraw/zinc/56/79/82/345567982.db2.gz GSFOXLJIDIBLLM-QWRGUYRKSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393524 345567567 /nfs/dbraw/zinc/56/75/67/345567567.db2.gz GSFOXLJIDIBLLM-MNOVXSKESA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393525 345568064 /nfs/dbraw/zinc/56/80/64/345568064.db2.gz GSFOXLJIDIBLLM-WDEREUQCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393526 345567794 /nfs/dbraw/zinc/56/77/94/345567794.db2.gz GSFOXLJIDIBLLM-GHMZBOCLSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393555 388747141 /nfs/dbraw/zinc/74/71/41/388747141.db2.gz YQVDJUQBDXZADS-JQWIXIFHSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393556 388747423 /nfs/dbraw/zinc/74/74/23/388747423.db2.gz YQVDJUQBDXZADS-PWSUYJOCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393557 388747486 /nfs/dbraw/zinc/74/74/86/388747486.db2.gz YQVDJUQBDXZADS-CMPLNLGQSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393558 388747363 /nfs/dbraw/zinc/74/73/63/388747363.db2.gz YQVDJUQBDXZADS-ZYHUDNBSSA-N 1 0 237.293 3.724 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)cc1F ZINC000090393571 388747225 /nfs/dbraw/zinc/74/72/25/388747225.db2.gz WSEBANUMXNTXSD-AAEUAGOBSA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)cc1F ZINC000090393572 388747151 /nfs/dbraw/zinc/74/71/51/388747151.db2.gz WSEBANUMXNTXSD-YPMHNXCESA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)cc1F ZINC000090393573 388747558 /nfs/dbraw/zinc/74/75/58/388747558.db2.gz WSEBANUMXNTXSD-WCQYABFASA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cc1F ZINC000090393574 388747397 /nfs/dbraw/zinc/74/73/97/388747397.db2.gz WSEBANUMXNTXSD-DGCLKSJQSA-N 1 0 249.329 3.594 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccsc1 ZINC000090393605 582685461 /nfs/dbraw/zinc/68/54/61/582685461.db2.gz ZZQIBBCHIZGPPB-JQWIXIFHSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccsc1 ZINC000090393606 491124612 /nfs/dbraw/zinc/12/46/12/491124612.db2.gz ZZQIBBCHIZGPPB-PWSUYJOCSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccsc1 ZINC000090393607 491124618 /nfs/dbraw/zinc/12/46/18/491124618.db2.gz ZZQIBBCHIZGPPB-CMPLNLGQSA-N 1 0 207.342 3.507 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccsc1 ZINC000090393608 491124610 /nfs/dbraw/zinc/12/46/10/491124610.db2.gz ZZQIBBCHIZGPPB-ZYHUDNBSSA-N 1 0 207.342 3.507 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)s1 ZINC000090398849 491124753 /nfs/dbraw/zinc/12/47/53/491124753.db2.gz IRMMXRYSSUDWFA-JBLDHEPKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)s1 ZINC000090398851 491124786 /nfs/dbraw/zinc/12/47/86/491124786.db2.gz IRMMXRYSSUDWFA-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO C#CCCCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000090399069 631528116 /nfs/dbraw/zinc/52/81/16/631528116.db2.gz NHFBDBIREFUARG-CQSZACIVSA-N 1 0 245.366 3.539 20 0 BHADRO C#CCCCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000090399074 643325430 /nfs/dbraw/zinc/32/54/30/643325430.db2.gz NHFBDBIREFUARG-AWEZNQCLSA-N 1 0 245.366 3.539 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C2CCCCCC2)s1 ZINC000090399123 491124767 /nfs/dbraw/zinc/12/47/67/491124767.db2.gz WHMUFIVGWLMWLF-SNVBAGLBSA-N 1 0 238.400 3.825 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C2CCCCCC2)s1 ZINC000090399124 491124787 /nfs/dbraw/zinc/12/47/87/491124787.db2.gz WHMUFIVGWLMWLF-JTQLQIEISA-N 1 0 238.400 3.825 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000090399131 491124906 /nfs/dbraw/zinc/12/49/06/491124906.db2.gz CEJUHULFUSZYOJ-WDEREUQCSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000090399134 491124918 /nfs/dbraw/zinc/12/49/18/491124918.db2.gz CEJUHULFUSZYOJ-QWRGUYRKSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CCC(C)C)s1 ZINC000090399135 491124905 /nfs/dbraw/zinc/12/49/05/491124905.db2.gz CEJUHULFUSZYOJ-GHMZBOCLSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CCC(C)C)s1 ZINC000090399139 491124921 /nfs/dbraw/zinc/12/49/21/491124921.db2.gz CEJUHULFUSZYOJ-MNOVXSKESA-N 1 0 240.416 3.927 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090399210 643412257 /nfs/dbraw/zinc/41/22/57/643412257.db2.gz JJPRUWUURARLBH-JTQLQIEISA-N 1 0 226.389 3.682 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000090399212 643413440 /nfs/dbraw/zinc/41/34/40/643413440.db2.gz JJPRUWUURARLBH-SNVBAGLBSA-N 1 0 226.389 3.682 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccccn2)CCC1 ZINC000090399622 384022038 /nfs/dbraw/zinc/02/20/38/384022038.db2.gz DPSYEYFYZXMWHO-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccccn2)CCC1 ZINC000090399623 384021360 /nfs/dbraw/zinc/02/13/60/384021360.db2.gz DPSYEYFYZXMWHO-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2nccs2)CCC1 ZINC000090399647 384044782 /nfs/dbraw/zinc/04/47/82/384044782.db2.gz SSMKZGFGQVDSOG-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2nccs2)CCC1 ZINC000090399649 384044814 /nfs/dbraw/zinc/04/48/14/384044814.db2.gz SSMKZGFGQVDSOG-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C)cc2)s1 ZINC000090399666 491124958 /nfs/dbraw/zinc/12/49/58/491124958.db2.gz PBVAGVSUYXMAAD-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C)cc2)s1 ZINC000090399667 491124960 /nfs/dbraw/zinc/12/49/60/491124960.db2.gz PBVAGVSUYXMAAD-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C)s1 ZINC000090400070 631284460 /nfs/dbraw/zinc/28/44/60/631284460.db2.gz JJBMZHDPYZNAFY-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C)s1 ZINC000090400071 491082275 /nfs/dbraw/zinc/08/22/75/491082275.db2.gz JJBMZHDPYZNAFY-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)C1CCOCC1 ZINC000090400146 345567961 /nfs/dbraw/zinc/56/79/61/345567961.db2.gz XYWDNLLVTQMYLF-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)C1CCOCC1 ZINC000090400149 345567741 /nfs/dbraw/zinc/56/77/41/345567741.db2.gz XYWDNLLVTQMYLF-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1ccccn1 ZINC000090400216 322950701 /nfs/dbraw/zinc/95/07/01/322950701.db2.gz NSSDKJCYLBATAO-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1ccccn1 ZINC000090400220 384021827 /nfs/dbraw/zinc/02/18/27/384021827.db2.gz NSSDKJCYLBATAO-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]Cc2cccc(C)c2)s1 ZINC000090401206 491125382 /nfs/dbraw/zinc/12/53/82/491125382.db2.gz FEXYJAMMEWZRIK-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C)c2)s1 ZINC000090401208 491125384 /nfs/dbraw/zinc/12/53/84/491125384.db2.gz FEXYJAMMEWZRIK-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCC2CCCC2)s1 ZINC000090401278 631298638 /nfs/dbraw/zinc/29/86/38/631298638.db2.gz ZYYRDPXERSSAJQ-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCC2CCCC2)s1 ZINC000090401280 631298960 /nfs/dbraw/zinc/29/89/60/631298960.db2.gz ZYYRDPXERSSAJQ-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCC(C)C)s1 ZINC000090401366 631301107 /nfs/dbraw/zinc/30/11/07/631301107.db2.gz IIGDHZJAGYLMCI-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCC(C)C)s1 ZINC000090401367 631300189 /nfs/dbraw/zinc/30/01/89/631300189.db2.gz IIGDHZJAGYLMCI-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000090402078 388747124 /nfs/dbraw/zinc/74/71/24/388747124.db2.gz LGBFWPRKTGRLBW-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC1(C[NH2+][C@H](C)CCc2ccco2)CC1 ZINC000090402080 325676391 /nfs/dbraw/zinc/67/63/91/325676391.db2.gz LGBFWPRKTGRLBW-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccco2)CC1 ZINC000090402448 384754108 /nfs/dbraw/zinc/75/41/08/384754108.db2.gz ROOOJTMWQMASOI-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccco2)CC1 ZINC000090402450 384754635 /nfs/dbraw/zinc/75/46/35/384754635.db2.gz ROOOJTMWQMASOI-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000090402552 135549377 /nfs/dbraw/zinc/54/93/77/135549377.db2.gz KZHQZTVVWHEBQR-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000090402554 360071904 /nfs/dbraw/zinc/07/19/04/360071904.db2.gz KZHQZTVVWHEBQR-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090402572 491125925 /nfs/dbraw/zinc/12/59/25/491125925.db2.gz CHNIZDCKMOGFPK-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090402574 491125931 /nfs/dbraw/zinc/12/59/31/491125931.db2.gz CHNIZDCKMOGFPK-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090404519 491126025 /nfs/dbraw/zinc/12/60/25/491126025.db2.gz KUYOQMZGJVHNOY-AEJSXWLSSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090404521 491126018 /nfs/dbraw/zinc/12/60/18/491126018.db2.gz KUYOQMZGJVHNOY-GUBZILKMSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)s1 ZINC000090404861 491126007 /nfs/dbraw/zinc/12/60/07/491126007.db2.gz RKYHGNKXJMHTAO-JBLDHEPKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)s1 ZINC000090404867 491126008 /nfs/dbraw/zinc/12/60/08/491126008.db2.gz RKYHGNKXJMHTAO-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090408718 491126329 /nfs/dbraw/zinc/12/63/29/491126329.db2.gz ZZYGYCKQIPPYIN-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000090408719 491126324 /nfs/dbraw/zinc/12/63/24/491126324.db2.gz ZZYGYCKQIPPYIN-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)s1 ZINC000090409342 487939431 /nfs/dbraw/zinc/93/94/31/487939431.db2.gz CEFFTQCJZXFZES-RKDXNWHRSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(C)(C)C)s1 ZINC000090409343 487939587 /nfs/dbraw/zinc/93/95/87/487939587.db2.gz CEFFTQCJZXFZES-DTWKUNHWSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCCC(C)C)s1 ZINC000090417706 644591306 /nfs/dbraw/zinc/59/13/06/644591306.db2.gz YTDGKYXZYAGLKX-LLVKDONJSA-N 1 0 240.416 3.928 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCCC(C)C)s1 ZINC000090417707 644591638 /nfs/dbraw/zinc/59/16/38/644591638.db2.gz YTDGKYXZYAGLKX-NSHDSACASA-N 1 0 240.416 3.928 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)s1 ZINC000090418877 491126700 /nfs/dbraw/zinc/12/67/00/491126700.db2.gz IDMZIYSNSNBHKS-BXKDBHETSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)s1 ZINC000090418878 491126732 /nfs/dbraw/zinc/12/67/32/491126732.db2.gz IDMZIYSNSNBHKS-JOYOIKCWSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)s1 ZINC000090418879 491126701 /nfs/dbraw/zinc/12/67/01/491126701.db2.gz IDMZIYSNSNBHKS-SKDRFNHKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC2(C)C)s1 ZINC000090418880 491126682 /nfs/dbraw/zinc/12/66/82/491126682.db2.gz IDMZIYSNSNBHKS-CABZTGNLSA-N 1 0 238.400 3.681 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cnc(C)s2)CCC1 ZINC000090419014 491126733 /nfs/dbraw/zinc/12/67/33/491126733.db2.gz VAIBNOCISQVLBK-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cnc(C)s2)CCC1 ZINC000090419015 491126726 /nfs/dbraw/zinc/12/67/26/491126726.db2.gz VAIBNOCISQVLBK-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)C(C)(C)C)CCC1 ZINC000090457028 384058593 /nfs/dbraw/zinc/05/85/93/384058593.db2.gz ANUXIGSAYIIINU-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)C(C)(C)C)CCC1 ZINC000090457029 384057936 /nfs/dbraw/zinc/05/79/36/384057936.db2.gz ANUXIGSAYIIINU-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)[C@H](C)CC)CCC1 ZINC000090457278 360074392 /nfs/dbraw/zinc/07/43/92/360074392.db2.gz HNWPOXWGUPUXMH-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)[C@@H](C)CC)CCC1 ZINC000090457279 535489040 /nfs/dbraw/zinc/48/90/40/535489040.db2.gz HNWPOXWGUPUXMH-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)[C@H](C)CC)CCC1 ZINC000090457281 360073576 /nfs/dbraw/zinc/07/35/76/360073576.db2.gz HNWPOXWGUPUXMH-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)[C@@H](C)CC)CCC1 ZINC000090457283 360073934 /nfs/dbraw/zinc/07/39/34/360073934.db2.gz HNWPOXWGUPUXMH-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](CC)C(C)C)CCC1 ZINC000090457449 535488470 /nfs/dbraw/zinc/48/84/70/535488470.db2.gz YWIIZSAUSUPFLK-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@H](CC)C(C)C)CCC1 ZINC000090457451 360073817 /nfs/dbraw/zinc/07/38/17/360073817.db2.gz YWIIZSAUSUPFLK-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)C(C)(C)C ZINC000090458798 384049693 /nfs/dbraw/zinc/04/96/93/384049693.db2.gz NNMRWDYMZROZIW-VIFPVBQESA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C(C)(C)C ZINC000090458800 384051163 /nfs/dbraw/zinc/05/11/63/384051163.db2.gz NNMRWDYMZROZIW-SECBINFHSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459550 256582030 /nfs/dbraw/zinc/58/20/30/256582030.db2.gz VNJVBBRBTAZQDJ-NXEZZACHSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459552 384049342 /nfs/dbraw/zinc/04/93/42/384049342.db2.gz VNJVBBRBTAZQDJ-VHSXEESVSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459554 384050435 /nfs/dbraw/zinc/05/04/35/384050435.db2.gz VNJVBBRBTAZQDJ-ZJUUUORDSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459555 384051051 /nfs/dbraw/zinc/05/10/51/384051051.db2.gz VNJVBBRBTAZQDJ-UWVGGRQHSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C2CC2)cs1)C(C)C ZINC000090460092 256581822 /nfs/dbraw/zinc/58/18/22/256581822.db2.gz XVTTYTDGIFEQCJ-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C(C)C ZINC000090460096 256581275 /nfs/dbraw/zinc/58/12/75/256581275.db2.gz XVTTYTDGIFEQCJ-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccco1 ZINC000090469145 325677090 /nfs/dbraw/zinc/67/70/90/325677090.db2.gz MOADIOXYHHAZBB-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccco1 ZINC000090469146 388747803 /nfs/dbraw/zinc/74/78/03/388747803.db2.gz MOADIOXYHHAZBB-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO COCC1CCC([NH2+]C2CCCCCC2)CC1 ZINC000090515136 345569469 /nfs/dbraw/zinc/56/94/69/345569469.db2.gz CGUMKVDTMIIIGV-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO FCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000090521999 388747830 /nfs/dbraw/zinc/74/78/30/388747830.db2.gz YWEOENCXDUMGCZ-CYBMUJFWSA-N 1 0 241.375 3.929 20 0 BHADRO FCCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000090522001 388748088 /nfs/dbraw/zinc/74/80/88/388748088.db2.gz YWEOENCXDUMGCZ-ZDUSSCGKSA-N 1 0 241.375 3.929 20 0 BHADRO FCCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000090522162 345573475 /nfs/dbraw/zinc/57/34/75/345573475.db2.gz ODYZRMSPSIPQQQ-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO FCCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000090522164 345573144 /nfs/dbraw/zinc/57/31/44/345573144.db2.gz ODYZRMSPSIPQQQ-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO CCSc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000090522241 384889648 /nfs/dbraw/zinc/88/96/48/384889648.db2.gz LONMGCAHEPECAO-LLVKDONJSA-N 1 0 241.375 3.809 20 0 BHADRO CCSc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000090522242 256566086 /nfs/dbraw/zinc/56/60/86/256566086.db2.gz LONMGCAHEPECAO-NSHDSACASA-N 1 0 241.375 3.809 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090535744 388748411 /nfs/dbraw/zinc/74/84/11/388748411.db2.gz FRXIQYKMFLQNFE-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090535745 388748539 /nfs/dbraw/zinc/74/85/39/388748539.db2.gz FRXIQYKMFLQNFE-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090535749 325677507 /nfs/dbraw/zinc/67/75/07/325677507.db2.gz FRXIQYKMFLQNFE-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090535750 388748221 /nfs/dbraw/zinc/74/82/21/388748221.db2.gz FRXIQYKMFLQNFE-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccccc1 ZINC000090536054 171517223 /nfs/dbraw/zinc/51/72/23/171517223.db2.gz YJDVFADXQSYEGL-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccccc1 ZINC000090536060 170891546 /nfs/dbraw/zinc/89/15/46/170891546.db2.gz YJDVFADXQSYEGL-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000090536550 388748540 /nfs/dbraw/zinc/74/85/40/388748540.db2.gz PQPXJZSMBJWPDW-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO COCCC1(C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000090536552 388748321 /nfs/dbraw/zinc/74/83/21/388748321.db2.gz PQPXJZSMBJWPDW-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090537187 384891655 /nfs/dbraw/zinc/89/16/55/384891655.db2.gz UMOFGUWXOUOBEQ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(CCOC)CC1 ZINC000090537190 384892490 /nfs/dbraw/zinc/89/24/90/384892490.db2.gz UMOFGUWXOUOBEQ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090537192 384891743 /nfs/dbraw/zinc/89/17/43/384891743.db2.gz UMOFGUWXOUOBEQ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(CCOC)CC1 ZINC000090537194 256565998 /nfs/dbraw/zinc/56/59/98/256565998.db2.gz UMOFGUWXOUOBEQ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC1(C[NH2+]C2CCCCCCC2)CC1 ZINC000090537217 636916672 /nfs/dbraw/zinc/91/66/72/636916672.db2.gz YBGFTJYUSIHRLJ-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1 ZINC000090588464 535945163 /nfs/dbraw/zinc/94/51/63/535945163.db2.gz BWAJHMVXMVRKBQ-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1 ZINC000090588465 135551712 /nfs/dbraw/zinc/55/17/12/135551712.db2.gz BWAJHMVXMVRKBQ-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccccc1 ZINC000090588467 343936044 /nfs/dbraw/zinc/93/60/44/343936044.db2.gz BWAJHMVXMVRKBQ-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccccc1 ZINC000090588473 343936169 /nfs/dbraw/zinc/93/61/69/343936169.db2.gz BWAJHMVXMVRKBQ-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1cnccc1-c1cccc(C[NH2+]C(C)C)c1 ZINC000090676222 487981401 /nfs/dbraw/zinc/98/14/01/487981401.db2.gz ZFTIMUWYERDSAT-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1cnccc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000090676282 487981437 /nfs/dbraw/zinc/98/14/37/487981437.db2.gz JHCLJRYREOYESW-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1ccncc1-c1cccc(C[NH2+]C(C)C)c1 ZINC000090710659 642325908 /nfs/dbraw/zinc/32/59/08/642325908.db2.gz LTUZUNXAPQKUFJ-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1ccncc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000090710764 642326111 /nfs/dbraw/zinc/32/61/11/642326111.db2.gz SWMJTEYJZFVUQI-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000090714694 360085256 /nfs/dbraw/zinc/08/52/56/360085256.db2.gz SMMOTGMUOCMEBO-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000090714700 135553181 /nfs/dbraw/zinc/55/31/81/135553181.db2.gz SMMOTGMUOCMEBO-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000090714701 360085273 /nfs/dbraw/zinc/08/52/73/360085273.db2.gz SMMOTGMUOCMEBO-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000090714702 135553669 /nfs/dbraw/zinc/55/36/69/135553669.db2.gz SMMOTGMUOCMEBO-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ncccc1F ZINC000090720558 345574481 /nfs/dbraw/zinc/57/44/81/345574481.db2.gz AXIALUJZVXVCHN-DGCLKSJQSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ncccc1F ZINC000090720559 345574567 /nfs/dbraw/zinc/57/45/67/345574567.db2.gz AXIALUJZVXVCHN-WCQYABFASA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ncccc1F ZINC000090720561 345574327 /nfs/dbraw/zinc/57/43/27/345574327.db2.gz AXIALUJZVXVCHN-YPMHNXCESA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ncccc1F ZINC000090720563 345574556 /nfs/dbraw/zinc/57/45/56/345574556.db2.gz AXIALUJZVXVCHN-AAEUAGOBSA-N 1 0 238.350 3.525 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000090722761 188317827 /nfs/dbraw/zinc/31/78/27/188317827.db2.gz SHTRUEOLHDRELO-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000090722762 187799011 /nfs/dbraw/zinc/79/90/11/187799011.db2.gz SHTRUEOLHDRELO-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CCC2)o1 ZINC000090724211 398111447 /nfs/dbraw/zinc/11/14/47/398111447.db2.gz WOTKUTXGCQVOQZ-GFCCVEGCSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C3CC3)CCC2)o1 ZINC000090724212 398111571 /nfs/dbraw/zinc/11/15/71/398111571.db2.gz WOTKUTXGCQVOQZ-LBPRGKRZSA-N 1 0 233.355 3.819 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cccs1 ZINC000090724375 256569751 /nfs/dbraw/zinc/56/97/51/256569751.db2.gz OFEQDQVJOPSOEN-NSHDSACASA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cccs1 ZINC000090724376 385019618 /nfs/dbraw/zinc/01/96/18/385019618.db2.gz OFEQDQVJOPSOEN-LLVKDONJSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccco1 ZINC000090724377 384071705 /nfs/dbraw/zinc/07/17/05/384071705.db2.gz FMWVFHQPKLWXMQ-NSHDSACASA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccco1 ZINC000090724378 384071034 /nfs/dbraw/zinc/07/10/34/384071034.db2.gz FMWVFHQPKLWXMQ-LLVKDONJSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccsc1 ZINC000090724428 384071587 /nfs/dbraw/zinc/07/15/87/384071587.db2.gz SAVXRMYDTHNHLF-NSHDSACASA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccsc1 ZINC000090724429 256581766 /nfs/dbraw/zinc/58/17/66/256581766.db2.gz SAVXRMYDTHNHLF-LLVKDONJSA-N 1 0 235.396 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000090724608 384071376 /nfs/dbraw/zinc/07/13/76/384071376.db2.gz UNPPDRQYMGKIQT-MNOVXSKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000090724609 384071523 /nfs/dbraw/zinc/07/15/23/384071523.db2.gz UNPPDRQYMGKIQT-QWRGUYRKSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000090724610 384072149 /nfs/dbraw/zinc/07/21/49/384072149.db2.gz UNPPDRQYMGKIQT-GHMZBOCLSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000090724611 384072158 /nfs/dbraw/zinc/07/21/58/384072158.db2.gz UNPPDRQYMGKIQT-WDEREUQCSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000090724670 644603064 /nfs/dbraw/zinc/60/30/64/644603064.db2.gz JVSCQXGSJOLVEN-MNOVXSKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000090724671 644601966 /nfs/dbraw/zinc/60/19/66/644601966.db2.gz JVSCQXGSJOLVEN-QWRGUYRKSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000090724672 644602470 /nfs/dbraw/zinc/60/24/70/644602470.db2.gz JVSCQXGSJOLVEN-GHMZBOCLSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000090724673 644603321 /nfs/dbraw/zinc/60/33/21/644603321.db2.gz JVSCQXGSJOLVEN-WDEREUQCSA-N 1 0 240.778 3.820 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000090724740 491129555 /nfs/dbraw/zinc/12/95/55/491129555.db2.gz SLZOJXDVXDPKHJ-VHSXEESVSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000090724741 491129538 /nfs/dbraw/zinc/12/95/38/491129538.db2.gz SLZOJXDVXDPKHJ-UWVGGRQHSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000090724742 491129554 /nfs/dbraw/zinc/12/95/54/491129554.db2.gz SLZOJXDVXDPKHJ-NXEZZACHSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000090724743 491129544 /nfs/dbraw/zinc/12/95/44/491129544.db2.gz SLZOJXDVXDPKHJ-ZJUUUORDSA-N 1 0 226.389 3.537 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090724896 384070654 /nfs/dbraw/zinc/07/06/54/384070654.db2.gz OZEDSPGXAPMLMZ-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000090724897 384071276 /nfs/dbraw/zinc/07/12/76/384071276.db2.gz OZEDSPGXAPMLMZ-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090724898 384071394 /nfs/dbraw/zinc/07/13/94/384071394.db2.gz OZEDSPGXAPMLMZ-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000090724899 384070575 /nfs/dbraw/zinc/07/05/75/384070575.db2.gz OZEDSPGXAPMLMZ-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)SC)c1ccccc1 ZINC000090724912 256581753 /nfs/dbraw/zinc/58/17/53/256581753.db2.gz MPQXYGCMBMCMLD-OCCSQVGLSA-N 1 0 237.412 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)SC)c1ccccc1 ZINC000090724913 256570078 /nfs/dbraw/zinc/57/00/78/256570078.db2.gz MPQXYGCMBMCMLD-TZMCWYRMSA-N 1 0 237.412 3.869 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)SC)c1ccccc1 ZINC000090724914 384070841 /nfs/dbraw/zinc/07/08/41/384070841.db2.gz MPQXYGCMBMCMLD-JSGCOSHPSA-N 1 0 237.412 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)SC)c1ccccc1 ZINC000090724915 384070788 /nfs/dbraw/zinc/07/07/88/384070788.db2.gz MPQXYGCMBMCMLD-GXTWGEPZSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccs1 ZINC000090724932 385020223 /nfs/dbraw/zinc/02/02/23/385020223.db2.gz VEUKDRQSDXEVMU-ZJUUUORDSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccs1 ZINC000090724933 385021262 /nfs/dbraw/zinc/02/12/62/385021262.db2.gz VEUKDRQSDXEVMU-NXEZZACHSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1cccs1 ZINC000090724934 385019708 /nfs/dbraw/zinc/01/97/08/385019708.db2.gz VEUKDRQSDXEVMU-UWVGGRQHSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccs1 ZINC000090724935 385019302 /nfs/dbraw/zinc/01/93/02/385019302.db2.gz VEUKDRQSDXEVMU-VHSXEESVSA-N 1 0 229.414 3.540 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000090724944 385021207 /nfs/dbraw/zinc/02/12/07/385021207.db2.gz HLJDLTXGUCUSEA-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000090724945 385020398 /nfs/dbraw/zinc/02/03/98/385020398.db2.gz HLJDLTXGUCUSEA-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000090724946 385019584 /nfs/dbraw/zinc/01/95/84/385019584.db2.gz HLJDLTXGUCUSEA-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000090724947 256570084 /nfs/dbraw/zinc/57/00/84/256570084.db2.gz HLJDLTXGUCUSEA-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000090724970 385021391 /nfs/dbraw/zinc/02/13/91/385021391.db2.gz MPPUDFGYEHUZIF-NXEZZACHSA-N 1 0 243.441 3.767 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000090724971 256569408 /nfs/dbraw/zinc/56/94/08/256569408.db2.gz MPPUDFGYEHUZIF-ZJUUUORDSA-N 1 0 243.441 3.767 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000090724972 256570076 /nfs/dbraw/zinc/57/00/76/256570076.db2.gz MPPUDFGYEHUZIF-VHSXEESVSA-N 1 0 243.441 3.767 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000090724973 256569730 /nfs/dbraw/zinc/56/97/30/256569730.db2.gz MPPUDFGYEHUZIF-UWVGGRQHSA-N 1 0 243.441 3.767 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000090725114 256570943 /nfs/dbraw/zinc/57/09/43/256570943.db2.gz CXCKHJZHDYRCTE-RYUDHWBXSA-N 1 0 249.423 3.577 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000090725115 385036952 /nfs/dbraw/zinc/03/69/52/385036952.db2.gz CXCKHJZHDYRCTE-NEPJUHHUSA-N 1 0 249.423 3.577 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000090725116 256570474 /nfs/dbraw/zinc/57/04/74/256570474.db2.gz CXCKHJZHDYRCTE-NWDGAFQWSA-N 1 0 249.423 3.577 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000090725117 385036343 /nfs/dbraw/zinc/03/63/43/385036343.db2.gz CXCKHJZHDYRCTE-VXGBXAGGSA-N 1 0 249.423 3.577 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000090725706 384071991 /nfs/dbraw/zinc/07/19/91/384071991.db2.gz UFPISQGIEKQQAE-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000090725707 384071307 /nfs/dbraw/zinc/07/13/07/384071307.db2.gz UFPISQGIEKQQAE-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000090725709 384071476 /nfs/dbraw/zinc/07/14/76/384071476.db2.gz UFPISQGIEKQQAE-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000090725711 384071649 /nfs/dbraw/zinc/07/16/49/384071649.db2.gz UFPISQGIEKQQAE-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000090725766 384071866 /nfs/dbraw/zinc/07/18/66/384071866.db2.gz VXHBQQFDKURMRX-QWRGUYRKSA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000090725767 384071633 /nfs/dbraw/zinc/07/16/33/384071633.db2.gz VXHBQQFDKURMRX-MNOVXSKESA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000090725769 384070280 /nfs/dbraw/zinc/07/02/80/384070280.db2.gz VXHBQQFDKURMRX-WDEREUQCSA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000090725772 384071885 /nfs/dbraw/zinc/07/18/85/384071885.db2.gz VXHBQQFDKURMRX-GHMZBOCLSA-N 1 0 249.379 3.835 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)SC)cc1 ZINC000090726035 385036606 /nfs/dbraw/zinc/03/66/06/385036606.db2.gz QDXJIWMNFBNKPO-VXGBXAGGSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)SC)cc1 ZINC000090726037 385035966 /nfs/dbraw/zinc/03/59/66/385035966.db2.gz QDXJIWMNFBNKPO-NEPJUHHUSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)SC)cc1 ZINC000090726038 385035171 /nfs/dbraw/zinc/03/51/71/385035171.db2.gz QDXJIWMNFBNKPO-NWDGAFQWSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)SC)cc1 ZINC000090726040 256570456 /nfs/dbraw/zinc/57/04/56/256570456.db2.gz QDXJIWMNFBNKPO-RYUDHWBXSA-N 1 0 237.412 3.651 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(C)cc1 ZINC000090726050 385036537 /nfs/dbraw/zinc/03/65/37/385036537.db2.gz MWLBUKJQXLGSFA-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(C)cc1 ZINC000090726052 385035299 /nfs/dbraw/zinc/03/52/99/385035299.db2.gz MWLBUKJQXLGSFA-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(C)cc1 ZINC000090726053 385037880 /nfs/dbraw/zinc/03/78/80/385037880.db2.gz MWLBUKJQXLGSFA-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(C)cc1 ZINC000090726054 385035064 /nfs/dbraw/zinc/03/50/64/385035064.db2.gz MWLBUKJQXLGSFA-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)SC)s1 ZINC000090726055 385907482 /nfs/dbraw/zinc/90/74/82/385907482.db2.gz OAZPRTUFWRYGLE-NXEZZACHSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)SC)s1 ZINC000090726056 385035797 /nfs/dbraw/zinc/03/57/97/385035797.db2.gz OAZPRTUFWRYGLE-ZJUUUORDSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)SC)s1 ZINC000090726060 256570908 /nfs/dbraw/zinc/57/09/08/256570908.db2.gz OAZPRTUFWRYGLE-VHSXEESVSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)SC)s1 ZINC000090726063 256570544 /nfs/dbraw/zinc/57/05/44/256570544.db2.gz OAZPRTUFWRYGLE-UWVGGRQHSA-N 1 0 243.441 3.713 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000090726967 256581349 /nfs/dbraw/zinc/58/13/49/256581349.db2.gz GKHTVDCWLUWDTL-DGCLKSJQSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000090726975 256581572 /nfs/dbraw/zinc/58/15/72/256581572.db2.gz GKHTVDCWLUWDTL-YPMHNXCESA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000090726976 384071923 /nfs/dbraw/zinc/07/19/23/384071923.db2.gz GKHTVDCWLUWDTL-WCQYABFASA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000090726977 256581625 /nfs/dbraw/zinc/58/16/25/256581625.db2.gz GKHTVDCWLUWDTL-AAEUAGOBSA-N 1 0 237.412 3.706 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CCCCCC1 ZINC000090755244 166228311 /nfs/dbraw/zinc/22/83/11/166228311.db2.gz ACLWQZLLZUBDMJ-FLIBITNWSA-N 1 0 215.340 3.576 20 0 BHADRO c1ccc(C2(C[NH+]3CCCCC3)CCCC2)cc1 ZINC000090755268 183387416 /nfs/dbraw/zinc/38/74/16/183387416.db2.gz ILTQDIOPYLOHDA-UHFFFAOYSA-N 1 0 243.394 3.984 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771482 491129671 /nfs/dbraw/zinc/12/96/71/491129671.db2.gz KSTRDDIRXLJQEC-IYXRBSQSSA-N 1 0 227.392 3.501 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771483 491129618 /nfs/dbraw/zinc/12/96/18/491129618.db2.gz KSTRDDIRXLJQEC-HSBZDZAISA-N 1 0 227.392 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000090771545 491129672 /nfs/dbraw/zinc/12/96/72/491129672.db2.gz UKKNEYYRRIIRAN-HSBZDZAISA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000090771546 491129651 /nfs/dbraw/zinc/12/96/51/491129651.db2.gz UKKNEYYRRIIRAN-IYXRBSQSSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771764 491129668 /nfs/dbraw/zinc/12/96/68/491129668.db2.gz GTVDAAGUZIFCHZ-LMRVLLHPSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771765 491129734 /nfs/dbraw/zinc/12/97/34/491129734.db2.gz GTVDAAGUZIFCHZ-ZUJMUWTESA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771766 491129726 /nfs/dbraw/zinc/12/97/26/491129726.db2.gz GTVDAAGUZIFCHZ-DNDYEEKYSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771767 491129678 /nfs/dbraw/zinc/12/96/78/491129678.db2.gz GTVDAAGUZIFCHZ-HESLUPGFSA-N 1 0 241.419 3.747 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771832 491129749 /nfs/dbraw/zinc/12/97/49/491129749.db2.gz SWTPEMNQYBQHSM-WLYUNCDWSA-N 1 0 241.419 3.891 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771833 491129677 /nfs/dbraw/zinc/12/96/77/491129677.db2.gz SWTPEMNQYBQHSM-NFOMZHRRSA-N 1 0 241.419 3.891 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)C(C)C ZINC000090771899 491129564 /nfs/dbraw/zinc/12/95/64/491129564.db2.gz FNFZGFNRRJYCCN-NRXISQOPSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)C(C)C ZINC000090771900 491129542 /nfs/dbraw/zinc/12/95/42/491129542.db2.gz FNFZGFNRRJYCCN-YMAMQOFZSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000090771922 491129558 /nfs/dbraw/zinc/12/95/58/491129558.db2.gz PMAZPNYBCILJAD-GRTSSRMGSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000090771923 491129553 /nfs/dbraw/zinc/12/95/53/491129553.db2.gz PMAZPNYBCILJAD-LRVUVFPRSA-N 1 0 239.403 3.501 20 0 BHADRO CCC(CC)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771993 491129621 /nfs/dbraw/zinc/12/96/21/491129621.db2.gz NNNDASJHYBHFQG-UHFFFAOYSA-N 1 0 227.392 3.501 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771999 491129648 /nfs/dbraw/zinc/12/96/48/491129648.db2.gz BWYSGZIZGMBGMD-WLYUNCDWSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090772000 491129654 /nfs/dbraw/zinc/12/96/54/491129654.db2.gz BWYSGZIZGMBGMD-NFOMZHRRSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000090772098 491099130 /nfs/dbraw/zinc/09/91/30/491099130.db2.gz NKHOVNSRVSRSES-GRTSSRMGSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000090772099 491129629 /nfs/dbraw/zinc/12/96/29/491129629.db2.gz NKHOVNSRVSRSES-LRVUVFPRSA-N 1 0 239.403 3.501 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000090772649 385091993 /nfs/dbraw/zinc/09/19/93/385091993.db2.gz QILSYEYQEOYSFR-LBPRGKRZSA-N 1 0 245.366 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000090772650 256571930 /nfs/dbraw/zinc/57/19/30/256571930.db2.gz QILSYEYQEOYSFR-GFCCVEGCSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1(C2CC2)CC1)c1cccs1 ZINC000090772657 384073382 /nfs/dbraw/zinc/07/33/82/384073382.db2.gz ZPGSPKBLUOPXFM-LBPRGKRZSA-N 1 0 235.396 3.979 20 0 BHADRO CC[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccs1 ZINC000090772658 384073916 /nfs/dbraw/zinc/07/39/16/384073916.db2.gz ZPGSPKBLUOPXFM-GFCCVEGCSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC1(C2CC2)CC1 ZINC000090772677 631531612 /nfs/dbraw/zinc/53/16/12/631531612.db2.gz LEIBQYTUUGJZLW-NSHDSACASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC1(C2CC2)CC1 ZINC000090772678 631531220 /nfs/dbraw/zinc/53/12/20/631531220.db2.gz LEIBQYTUUGJZLW-LLVKDONJSA-N 1 0 241.444 3.686 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000090772724 360086690 /nfs/dbraw/zinc/08/66/90/360086690.db2.gz GTACEIHOQXQBFM-CYBMUJFWSA-N 1 0 247.407 3.905 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000090772725 135553516 /nfs/dbraw/zinc/55/35/16/135553516.db2.gz GTACEIHOQXQBFM-ZDUSSCGKSA-N 1 0 247.407 3.905 20 0 BHADRO CCC[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccn1 ZINC000090772793 360086410 /nfs/dbraw/zinc/08/64/10/360086410.db2.gz FYHBHDUFPAUUSG-AWEZNQCLSA-N 1 0 244.382 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccn1 ZINC000090772794 360086776 /nfs/dbraw/zinc/08/67/76/360086776.db2.gz FYHBHDUFPAUUSG-CQSZACIVSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C2CC2)CC1 ZINC000090772822 385092100 /nfs/dbraw/zinc/09/21/00/385092100.db2.gz USKAOJCKAPUROT-LBPRGKRZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C2CC2)CC1 ZINC000090772823 256571593 /nfs/dbraw/zinc/57/15/93/256571593.db2.gz USKAOJCKAPUROT-GFCCVEGCSA-N 1 0 247.357 3.537 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000090772826 256581951 /nfs/dbraw/zinc/58/19/51/256581951.db2.gz ODOBGCDYNGYMSA-LBPRGKRZSA-N 1 0 245.366 3.536 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000090772827 256581547 /nfs/dbraw/zinc/58/15/47/256581547.db2.gz ODOBGCDYNGYMSA-GFCCVEGCSA-N 1 0 245.366 3.536 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)s1 ZINC000090772912 256581539 /nfs/dbraw/zinc/58/15/39/256581539.db2.gz OSPNFUCHEHRTRG-LLVKDONJSA-N 1 0 235.396 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)s1 ZINC000090772913 384073433 /nfs/dbraw/zinc/07/34/33/384073433.db2.gz OSPNFUCHEHRTRG-NSHDSACASA-N 1 0 235.396 3.897 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)o1 ZINC000090772932 135553197 /nfs/dbraw/zinc/55/31/97/135553197.db2.gz QYNYRSFRXODNKT-LLVKDONJSA-N 1 0 233.355 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)o1 ZINC000090772933 360086252 /nfs/dbraw/zinc/08/62/52/360086252.db2.gz QYNYRSFRXODNKT-NSHDSACASA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccs1 ZINC000090773001 398113884 /nfs/dbraw/zinc/11/38/84/398113884.db2.gz DPGSSOIDQHYLHF-JTQLQIEISA-N 1 0 221.369 3.589 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccs1 ZINC000090773002 175867467 /nfs/dbraw/zinc/86/74/67/175867467.db2.gz DPGSSOIDQHYLHF-SNVBAGLBSA-N 1 0 221.369 3.589 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000090773024 384073373 /nfs/dbraw/zinc/07/33/73/384073373.db2.gz JLMLUHZARYFKMA-LLVKDONJSA-N 1 0 235.396 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000090773025 384073679 /nfs/dbraw/zinc/07/36/79/384073679.db2.gz JLMLUHZARYFKMA-NSHDSACASA-N 1 0 235.396 3.897 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000090773063 256581938 /nfs/dbraw/zinc/58/19/38/256581938.db2.gz WDLVPUWRAQRJGT-LBPRGKRZSA-N 1 0 245.366 3.536 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000090773064 384073200 /nfs/dbraw/zinc/07/32/00/384073200.db2.gz WDLVPUWRAQRJGT-GFCCVEGCSA-N 1 0 245.366 3.536 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccsc1 ZINC000090773094 176835823 /nfs/dbraw/zinc/83/58/23/176835823.db2.gz OTNPFJAKQRKKJB-JTQLQIEISA-N 1 0 221.369 3.589 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccsc1 ZINC000090773095 398113419 /nfs/dbraw/zinc/11/34/19/398113419.db2.gz OTNPFJAKQRKKJB-SNVBAGLBSA-N 1 0 221.369 3.589 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ccccn1 ZINC000090798202 325680602 /nfs/dbraw/zinc/68/06/02/325680602.db2.gz VRYNXCVNVFOWDL-ZDUSSCGKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ccccn1 ZINC000090798203 388751663 /nfs/dbraw/zinc/75/16/63/388751663.db2.gz VRYNXCVNVFOWDL-CYBMUJFWSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CCC1=CCCC1 ZINC000090798277 325680595 /nfs/dbraw/zinc/68/05/95/325680595.db2.gz RWFVMDDCFXSKKO-ZDUSSCGKSA-N 1 0 233.355 3.691 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CCC1=CCCC1 ZINC000090798278 325680498 /nfs/dbraw/zinc/68/04/98/325680498.db2.gz RWFVMDDCFXSKKO-CYBMUJFWSA-N 1 0 233.355 3.691 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CCC1=CCCC1 ZINC000090798479 384192348 /nfs/dbraw/zinc/19/23/48/384192348.db2.gz NBOKKUZWRSYQEL-LBPRGKRZSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CCC1=CCCC1 ZINC000090798480 384192141 /nfs/dbraw/zinc/19/21/41/384192141.db2.gz NBOKKUZWRSYQEL-GFCCVEGCSA-N 1 0 235.396 3.769 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000090804518 135554376 /nfs/dbraw/zinc/55/43/76/135554376.db2.gz GMFWAHAMQNRULQ-YCPHGPKFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000090804520 135554305 /nfs/dbraw/zinc/55/43/05/135554305.db2.gz GMFWAHAMQNRULQ-DZKIICNBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000090804523 360090693 /nfs/dbraw/zinc/09/06/93/360090693.db2.gz GMFWAHAMQNRULQ-IJEWVQPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000090804525 135554537 /nfs/dbraw/zinc/55/45/37/135554537.db2.gz GMFWAHAMQNRULQ-OFQRWUPVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000090845225 325680816 /nfs/dbraw/zinc/68/08/16/325680816.db2.gz JNLHGOOSHFCZND-ABHRYQDASA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000090845541 345576931 /nfs/dbraw/zinc/57/69/31/345576931.db2.gz KJEOOVMJXRMYFD-YDHLFZDLSA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000090845543 345576475 /nfs/dbraw/zinc/57/64/75/345576475.db2.gz KJEOOVMJXRMYFD-GUTXKFCHSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccncc1C ZINC000090846812 345576400 /nfs/dbraw/zinc/57/64/00/345576400.db2.gz ARHXDBFKDUWWEQ-CZUORRHYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccncc1C ZINC000090846813 345576847 /nfs/dbraw/zinc/57/68/47/345576847.db2.gz ARHXDBFKDUWWEQ-XJKSGUPXSA-N 1 0 248.414 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccncc1C ZINC000090847174 345576434 /nfs/dbraw/zinc/57/64/34/345576434.db2.gz BTOULLOQXVVEDS-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccncc1C ZINC000090847175 345576556 /nfs/dbraw/zinc/57/65/56/345576556.db2.gz BTOULLOQXVVEDS-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)C1CCC1 ZINC000090856039 631299971 /nfs/dbraw/zinc/29/99/71/631299971.db2.gz AUPBZGIOUQQYKP-QWRGUYRKSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C1CCC1 ZINC000090856043 642410685 /nfs/dbraw/zinc/41/06/85/642410685.db2.gz AUPBZGIOUQQYKP-MNOVXSKESA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1CCC1 ZINC000090856046 642411193 /nfs/dbraw/zinc/41/11/93/642411193.db2.gz AUPBZGIOUQQYKP-WDEREUQCSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)C1CCC1 ZINC000090856050 642410511 /nfs/dbraw/zinc/41/05/11/642410511.db2.gz AUPBZGIOUQQYKP-GHMZBOCLSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1N(C)C ZINC000090856112 491129849 /nfs/dbraw/zinc/12/98/49/491129849.db2.gz UIUREGDPNACNQW-STQMWFEESA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1N(C)C ZINC000090856114 491129873 /nfs/dbraw/zinc/12/98/73/491129873.db2.gz UIUREGDPNACNQW-QWHCGFSZSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C1CCC1 ZINC000090856116 491129876 /nfs/dbraw/zinc/12/98/76/491129876.db2.gz UIUREGDPNACNQW-OLZOCXBDSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1N(C)C ZINC000090856117 491129886 /nfs/dbraw/zinc/12/98/86/491129886.db2.gz UIUREGDPNACNQW-CHWSQXEVSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CCC1 ZINC000090856151 256573917 /nfs/dbraw/zinc/57/39/17/256573917.db2.gz HDWMOXOVDABLME-GXFFZTMASA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CCC1 ZINC000090856152 383901294 /nfs/dbraw/zinc/90/12/94/383901294.db2.gz HDWMOXOVDABLME-ZWNOBZJWSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)C1CCC1 ZINC000090856154 383902337 /nfs/dbraw/zinc/90/23/37/383902337.db2.gz HDWMOXOVDABLME-GWCFXTLKSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CCC1 ZINC000090856157 383902753 /nfs/dbraw/zinc/90/27/53/383902753.db2.gz HDWMOXOVDABLME-MFKMUULPSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccnc1Cl ZINC000090856460 631532254 /nfs/dbraw/zinc/53/22/54/631532254.db2.gz LLRYCZIDNQPJSQ-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccnc1Cl ZINC000090856462 631301261 /nfs/dbraw/zinc/30/12/61/631301261.db2.gz LLRYCZIDNQPJSQ-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C1CCC1 ZINC000090856464 631300334 /nfs/dbraw/zinc/30/03/34/631300334.db2.gz LLRYCZIDNQPJSQ-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccnc1Cl ZINC000090856466 631300474 /nfs/dbraw/zinc/30/04/74/631300474.db2.gz LLRYCZIDNQPJSQ-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)o1 ZINC000090856558 491129888 /nfs/dbraw/zinc/12/98/88/491129888.db2.gz XZVYYSWBPXDNLT-WDEREUQCSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)o1 ZINC000090856560 491129892 /nfs/dbraw/zinc/12/98/92/491129892.db2.gz XZVYYSWBPXDNLT-QWRGUYRKSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)o1 ZINC000090856562 491129872 /nfs/dbraw/zinc/12/98/72/491129872.db2.gz XZVYYSWBPXDNLT-GHMZBOCLSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)o1 ZINC000090856564 491129936 /nfs/dbraw/zinc/12/99/36/491129936.db2.gz XZVYYSWBPXDNLT-MNOVXSKESA-N 1 0 221.344 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)cc(F)c1 ZINC000090856740 491129928 /nfs/dbraw/zinc/12/99/28/491129928.db2.gz DQXHMEGAOGXUGG-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)cc(F)c1 ZINC000090856742 491129914 /nfs/dbraw/zinc/12/99/14/491129914.db2.gz DQXHMEGAOGXUGG-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C1CCC1 ZINC000090856743 491129937 /nfs/dbraw/zinc/12/99/37/491129937.db2.gz DQXHMEGAOGXUGG-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(F)cc(F)c1 ZINC000090856744 491129916 /nfs/dbraw/zinc/12/99/16/491129916.db2.gz DQXHMEGAOGXUGG-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000090856751 491129925 /nfs/dbraw/zinc/12/99/25/491129925.db2.gz FYUBMFWWMFJERV-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000090856752 491129930 /nfs/dbraw/zinc/12/99/30/491129930.db2.gz FYUBMFWWMFJERV-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000090856754 491129899 /nfs/dbraw/zinc/12/98/99/491129899.db2.gz FYUBMFWWMFJERV-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000090856756 491120905 /nfs/dbraw/zinc/12/09/05/491120905.db2.gz FYUBMFWWMFJERV-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccsc1 ZINC000090856869 491129926 /nfs/dbraw/zinc/12/99/26/491129926.db2.gz NNWNUDCNBGYAMI-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccsc1 ZINC000090856873 491129927 /nfs/dbraw/zinc/12/99/27/491129927.db2.gz NNWNUDCNBGYAMI-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C1CCC1 ZINC000090856875 491129908 /nfs/dbraw/zinc/12/99/08/491129908.db2.gz NNWNUDCNBGYAMI-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccsc1 ZINC000090856877 491129919 /nfs/dbraw/zinc/12/99/19/491129919.db2.gz NNWNUDCNBGYAMI-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000090858014 388753094 /nfs/dbraw/zinc/75/30/94/388753094.db2.gz VJRUQYMEDCSRKD-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000090858018 388752171 /nfs/dbraw/zinc/75/21/71/388752171.db2.gz VJRUQYMEDCSRKD-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccccc1 ZINC000090858021 360091422 /nfs/dbraw/zinc/09/14/22/360091422.db2.gz JHQITDJXUSJMSK-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccccc1 ZINC000090858023 360091265 /nfs/dbraw/zinc/09/12/65/360091265.db2.gz JHQITDJXUSJMSK-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000090858025 360091125 /nfs/dbraw/zinc/09/11/25/360091125.db2.gz JHQITDJXUSJMSK-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)[C@@H]1CCCO1)c1ccccc1 ZINC000090858026 360091602 /nfs/dbraw/zinc/09/16/02/360091602.db2.gz JHQITDJXUSJMSK-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@@H]1CCCO1 ZINC000090858724 364665474 /nfs/dbraw/zinc/66/54/74/364665474.db2.gz YTUQRMWBNPORAS-KKUMJFAQSA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@H]1CCCO1 ZINC000090858728 345577324 /nfs/dbraw/zinc/57/73/24/345577324.db2.gz YTUQRMWBNPORAS-SOUVJXGZSA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)[C@@H]1CCCO1 ZINC000090858939 388752192 /nfs/dbraw/zinc/75/21/92/388752192.db2.gz AKMTXIVPRWXLQY-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)[C@H]1CCCO1 ZINC000090858943 388752657 /nfs/dbraw/zinc/75/26/57/388752657.db2.gz AKMTXIVPRWXLQY-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CCCO1 ZINC000090859101 322908007 /nfs/dbraw/zinc/90/80/07/322908007.db2.gz GYJKJBAOZCINCM-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CCCO1 ZINC000090859105 322908074 /nfs/dbraw/zinc/90/80/74/322908074.db2.gz GYJKJBAOZCINCM-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)[C@@H]1CCCO1 ZINC000090859159 325681116 /nfs/dbraw/zinc/68/11/16/325681116.db2.gz MZCLCKFQGKHSMT-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)[C@H]1CCCO1 ZINC000090859164 325680949 /nfs/dbraw/zinc/68/09/49/325680949.db2.gz MZCLCKFQGKHSMT-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C)c1ccco1 ZINC000090882014 384082224 /nfs/dbraw/zinc/08/22/24/384082224.db2.gz JCUPEUARWFMRKF-LBPRGKRZSA-N 1 0 241.400 3.710 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C)c1ccco1 ZINC000090882015 384083317 /nfs/dbraw/zinc/08/33/17/384083317.db2.gz JCUPEUARWFMRKF-GFCCVEGCSA-N 1 0 241.400 3.710 20 0 BHADRO CC(C)CSCCC[NH2+]C(C1CC1)C1CC1 ZINC000090882040 325681190 /nfs/dbraw/zinc/68/11/90/325681190.db2.gz ROAYKCVDVFEWFH-UHFFFAOYSA-N 1 0 241.444 3.544 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886223 259344633 /nfs/dbraw/zinc/34/46/33/259344633.db2.gz QPWMVPPDCKONRY-SKDRFNHKSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886224 259344626 /nfs/dbraw/zinc/34/46/26/259344626.db2.gz QPWMVPPDCKONRY-CABZTGNLSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000090886225 259344451 /nfs/dbraw/zinc/34/44/51/259344451.db2.gz QPWMVPPDCKONRY-BXKDBHETSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000090886226 259344442 /nfs/dbraw/zinc/34/44/42/259344442.db2.gz QPWMVPPDCKONRY-JOYOIKCWSA-N 1 0 224.348 3.521 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886907 360092787 /nfs/dbraw/zinc/09/27/87/360092787.db2.gz MFHJQLMSYRODEB-BREBYQMCSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886908 360092611 /nfs/dbraw/zinc/09/26/11/360092611.db2.gz MFHJQLMSYRODEB-CWSCBRNRSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886909 360092773 /nfs/dbraw/zinc/09/27/73/360092773.db2.gz MFHJQLMSYRODEB-NRUUGDAUSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000090886910 360093074 /nfs/dbraw/zinc/09/30/74/360093074.db2.gz MFHJQLMSYRODEB-KWBADKCTSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1c(C)noc1C ZINC000090887309 360092774 /nfs/dbraw/zinc/09/27/74/360092774.db2.gz RVEPPPCLNBNIFA-ZANVPECISA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1c(C)noc1C ZINC000090887310 360092789 /nfs/dbraw/zinc/09/27/89/360092789.db2.gz RVEPPPCLNBNIFA-TVQRCGJNSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1c(C)noc1C ZINC000090887311 360092958 /nfs/dbraw/zinc/09/29/58/360092958.db2.gz RVEPPPCLNBNIFA-RNCFNFMXSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1c(C)noc1C ZINC000090887312 360092979 /nfs/dbraw/zinc/09/29/79/360092979.db2.gz RVEPPPCLNBNIFA-NOZJJQNGSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1c(C)noc1C ZINC000090887445 345571930 /nfs/dbraw/zinc/57/19/30/345571930.db2.gz ZUEHFEKEUZIOBN-GWCFXTLKSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1c(C)noc1C ZINC000090887446 345572150 /nfs/dbraw/zinc/57/21/50/345572150.db2.gz ZUEHFEKEUZIOBN-GXFFZTMASA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)C)c1c(C)noc1C ZINC000090887447 345572305 /nfs/dbraw/zinc/57/23/05/345572305.db2.gz ZUEHFEKEUZIOBN-MFKMUULPSA-N 1 0 238.375 3.767 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1c(C)noc1C ZINC000090887448 345572032 /nfs/dbraw/zinc/57/20/32/345572032.db2.gz ZUEHFEKEUZIOBN-ZWNOBZJWSA-N 1 0 238.375 3.767 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963266 256582735 /nfs/dbraw/zinc/58/27/35/256582735.db2.gz ADMDFOCFVVIJFB-ZJUUUORDSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963267 384084669 /nfs/dbraw/zinc/08/46/69/384084669.db2.gz ADMDFOCFVVIJFB-UWVGGRQHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963268 384086803 /nfs/dbraw/zinc/08/68/03/384086803.db2.gz ADMDFOCFVVIJFB-NXEZZACHSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963269 384085365 /nfs/dbraw/zinc/08/53/65/384085365.db2.gz ADMDFOCFVVIJFB-VHSXEESVSA-N 1 0 227.298 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963708 383920527 /nfs/dbraw/zinc/92/05/27/383920527.db2.gz HNNXIATYRQJVSH-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963709 256575528 /nfs/dbraw/zinc/57/55/28/256575528.db2.gz HNNXIATYRQJVSH-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C1CCC1 ZINC000090963710 383921031 /nfs/dbraw/zinc/92/10/31/383921031.db2.gz HNNXIATYRQJVSH-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963711 383921397 /nfs/dbraw/zinc/92/13/97/383921397.db2.gz HNNXIATYRQJVSH-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cccc(F)c1F ZINC000090963762 384085797 /nfs/dbraw/zinc/08/57/97/384085797.db2.gz ZAQXHCRGAVUJKR-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cccc(F)c1F ZINC000090963763 383921613 /nfs/dbraw/zinc/92/16/13/383921613.db2.gz ZAQXHCRGAVUJKR-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963772 383921429 /nfs/dbraw/zinc/92/14/29/383921429.db2.gz PRGRSLUZMMAZJO-VIFPVBQESA-N 1 0 227.298 3.804 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963773 383921246 /nfs/dbraw/zinc/92/12/46/383921246.db2.gz PRGRSLUZMMAZJO-SECBINFHSA-N 1 0 227.298 3.804 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963782 256575856 /nfs/dbraw/zinc/57/58/56/256575856.db2.gz FQXHFNGOEQYBCM-ZJUUUORDSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963783 383920038 /nfs/dbraw/zinc/92/00/38/383920038.db2.gz FQXHFNGOEQYBCM-UWVGGRQHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963784 383920755 /nfs/dbraw/zinc/92/07/55/383920755.db2.gz FQXHFNGOEQYBCM-NXEZZACHSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963785 383921486 /nfs/dbraw/zinc/92/14/86/383921486.db2.gz FQXHFNGOEQYBCM-VHSXEESVSA-N 1 0 227.298 3.660 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963914 383920317 /nfs/dbraw/zinc/92/03/17/383920317.db2.gz JQTLRYLBVPRDKG-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000090963915 383921387 /nfs/dbraw/zinc/92/13/87/383921387.db2.gz JQTLRYLBVPRDKG-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccc(F)c1F ZINC000090963916 383920812 /nfs/dbraw/zinc/92/08/12/383920812.db2.gz JQTLRYLBVPRDKG-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cccc(F)c1F ZINC000090963917 256575459 /nfs/dbraw/zinc/57/54/59/256575459.db2.gz JQTLRYLBVPRDKG-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964070 384086465 /nfs/dbraw/zinc/08/64/65/384086465.db2.gz FWZIJOXHCKWOHH-QMTHXVAHSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964071 384084766 /nfs/dbraw/zinc/08/47/66/384084766.db2.gz FWZIJOXHCKWOHH-IINYFYTJSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000090964072 384086746 /nfs/dbraw/zinc/08/67/46/384086746.db2.gz FWZIJOXHCKWOHH-YGRLFVJLSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000090964073 384086103 /nfs/dbraw/zinc/08/61/03/384086103.db2.gz FWZIJOXHCKWOHH-HZMBPMFUSA-N 1 0 221.319 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000090964196 360094776 /nfs/dbraw/zinc/09/47/76/360094776.db2.gz YVWZPENRDCBZRZ-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000090964197 360094817 /nfs/dbraw/zinc/09/48/17/360094817.db2.gz YVWZPENRDCBZRZ-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000090964198 360095179 /nfs/dbraw/zinc/09/51/79/360095179.db2.gz YVWZPENRDCBZRZ-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000090964199 135556151 /nfs/dbraw/zinc/55/61/51/135556151.db2.gz YVWZPENRDCBZRZ-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000090966180 345573487 /nfs/dbraw/zinc/57/34/87/345573487.db2.gz MKHIAVQTYBCIIQ-IHRRRGAJSA-N 1 0 239.403 3.667 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000090966181 345573156 /nfs/dbraw/zinc/57/31/56/345573156.db2.gz MKHIAVQTYBCIIQ-BFHYXJOUSA-N 1 0 239.403 3.667 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1 ZINC000090966298 325681910 /nfs/dbraw/zinc/68/19/10/325681910.db2.gz ISFORKDEBZXGMS-MCIONIFRSA-N 1 0 247.382 3.602 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994327 256582445 /nfs/dbraw/zinc/58/24/45/256582445.db2.gz GFEIOALBYGSZBT-KGLIPLIRSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994328 384089386 /nfs/dbraw/zinc/08/93/86/384089386.db2.gz GFEIOALBYGSZBT-KBPBESRZSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994329 384090699 /nfs/dbraw/zinc/09/06/99/384090699.db2.gz GFEIOALBYGSZBT-ZIAGYGMSSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994330 256575052 /nfs/dbraw/zinc/57/50/52/256575052.db2.gz GFEIOALBYGSZBT-UONOGXRCSA-N 1 0 234.387 3.709 20 0 BHADRO CC[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(Cl)c1 ZINC000090994331 384089296 /nfs/dbraw/zinc/08/92/96/384089296.db2.gz NDDIUXMLDBPPHM-AWEZNQCLSA-N 1 0 248.757 3.909 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc(Cl)c1 ZINC000090994332 344275602 /nfs/dbraw/zinc/27/56/02/344275602.db2.gz NDDIUXMLDBPPHM-CQSZACIVSA-N 1 0 248.757 3.909 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 ZINC000090994404 360096868 /nfs/dbraw/zinc/09/68/68/360096868.db2.gz XWDBRCVLBJODDW-HNNXBMFYSA-N 1 0 246.329 3.641 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 ZINC000090994405 135557665 /nfs/dbraw/zinc/55/76/65/135557665.db2.gz XWDBRCVLBJODDW-OAHLLOKOSA-N 1 0 246.329 3.641 20 0 BHADRO CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000090994423 360096695 /nfs/dbraw/zinc/09/66/95/360096695.db2.gz UAUOZZSONXVGBJ-AWEZNQCLSA-N 1 0 248.757 3.909 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000090994424 360097919 /nfs/dbraw/zinc/09/79/19/360097919.db2.gz UAUOZZSONXVGBJ-CQSZACIVSA-N 1 0 248.757 3.909 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000090994445 491127170 /nfs/dbraw/zinc/12/71/70/491127170.db2.gz QSUWKVYZIBZHDQ-NSHDSACASA-N 1 0 246.379 3.587 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994479 384089132 /nfs/dbraw/zinc/08/91/32/384089132.db2.gz FLXGGBXUEMHQOF-BPLDGKMQSA-N 1 0 234.387 3.565 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000090994481 256575215 /nfs/dbraw/zinc/57/52/15/256575215.db2.gz FLXGGBXUEMHQOF-VHDGCEQUSA-N 1 0 234.387 3.565 20 0 BHADRO CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(C)cc1 ZINC000090994495 360098386 /nfs/dbraw/zinc/09/83/86/360098386.db2.gz KJNNAXYLKIUUCB-HNNXBMFYSA-N 1 0 228.339 3.564 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(C)cc1 ZINC000090994496 360097983 /nfs/dbraw/zinc/09/79/83/360097983.db2.gz KJNNAXYLKIUUCB-OAHLLOKOSA-N 1 0 228.339 3.564 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000090994519 384090109 /nfs/dbraw/zinc/09/01/09/384090109.db2.gz PWTXVXIRZJCOMZ-HNNXBMFYSA-N 1 0 228.339 3.646 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000090994520 384089035 /nfs/dbraw/zinc/08/90/35/384089035.db2.gz PWTXVXIRZJCOMZ-OAHLLOKOSA-N 1 0 228.339 3.646 20 0 BHADRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000091007184 384088892 /nfs/dbraw/zinc/08/88/92/384088892.db2.gz BFGQQAMNSRMSDY-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000091007185 384090496 /nfs/dbraw/zinc/09/04/96/384090496.db2.gz BFGQQAMNSRMSDY-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1Cl ZINC000091007199 176879847 /nfs/dbraw/zinc/87/98/47/176879847.db2.gz YPVPFNLVEOCKMY-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1Cl ZINC000091007200 384089042 /nfs/dbraw/zinc/08/90/42/384089042.db2.gz YPVPFNLVEOCKMY-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(Cl)c1 ZINC000091007201 384089778 /nfs/dbraw/zinc/08/97/78/384089778.db2.gz RHNDQNIIILPEPJ-NSHDSACASA-N 1 0 248.757 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(Cl)c1 ZINC000091007204 384089401 /nfs/dbraw/zinc/08/94/01/384089401.db2.gz RHNDQNIIILPEPJ-LLVKDONJSA-N 1 0 248.757 3.529 20 0 BHADRO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000091007458 256582958 /nfs/dbraw/zinc/58/29/58/256582958.db2.gz MNQDTDCOJHADPF-CABCVRRESA-N 1 0 248.414 3.720 20 0 BHADRO Cn1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000091007459 384088976 /nfs/dbraw/zinc/08/89/76/384088976.db2.gz MNQDTDCOJHADPF-GJZGRUSLSA-N 1 0 248.414 3.720 20 0 BHADRO Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000091007460 384090755 /nfs/dbraw/zinc/09/07/55/384090755.db2.gz MNQDTDCOJHADPF-HUUCEWRRSA-N 1 0 248.414 3.720 20 0 BHADRO Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000091007461 383926217 /nfs/dbraw/zinc/92/62/17/383926217.db2.gz MNQDTDCOJHADPF-LSDHHAIUSA-N 1 0 248.414 3.720 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007673 360098282 /nfs/dbraw/zinc/09/82/82/360098282.db2.gz GYHKHVYZLMYQIX-INIZCTEOSA-N 1 0 242.366 3.512 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007676 360098397 /nfs/dbraw/zinc/09/83/97/360098397.db2.gz GYHKHVYZLMYQIX-MRXNPFEDSA-N 1 0 242.366 3.512 20 0 BHADRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(C)cc1 ZINC000091007922 384088998 /nfs/dbraw/zinc/08/89/98/384088998.db2.gz OQNOJIFKXQATCD-INIZCTEOSA-N 1 0 242.366 3.574 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(C)cc1 ZINC000091007923 344275595 /nfs/dbraw/zinc/27/55/95/344275595.db2.gz OQNOJIFKXQATCD-MRXNPFEDSA-N 1 0 242.366 3.574 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007977 384090124 /nfs/dbraw/zinc/09/01/24/384090124.db2.gz TXZAXEMPBZXWGT-INIZCTEOSA-N 1 0 242.366 3.656 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007983 384088936 /nfs/dbraw/zinc/08/89/36/384088936.db2.gz TXZAXEMPBZXWGT-MRXNPFEDSA-N 1 0 242.366 3.656 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccn(C)c2)c(C)s1 ZINC000091008260 178229067 /nfs/dbraw/zinc/22/90/67/178229067.db2.gz PUBQKBBRMZKFJL-LLVKDONJSA-N 1 0 248.395 3.554 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccn(C)c2)c(C)s1 ZINC000091008262 178251914 /nfs/dbraw/zinc/25/19/14/178251914.db2.gz PUBQKBBRMZKFJL-NSHDSACASA-N 1 0 248.395 3.554 20 0 BHADRO CSCCCC[NH2+]Cc1c(C)cccc1C ZINC000091060791 360100431 /nfs/dbraw/zinc/10/04/31/360100431.db2.gz XRESPZRIFCYFCU-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1c(C)cccc1C ZINC000091061456 644611150 /nfs/dbraw/zinc/61/11/50/644611150.db2.gz MBKYYAIUYYDZKX-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000091081009 388759159 /nfs/dbraw/zinc/75/91/59/388759159.db2.gz UIDPDNCICOLZTH-ZDUSSCGKSA-N 1 0 249.402 3.600 20 0 BHADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000091081010 388758270 /nfs/dbraw/zinc/75/82/70/388758270.db2.gz UIDPDNCICOLZTH-CYBMUJFWSA-N 1 0 249.402 3.600 20 0 BHADRO COc1ccccc1[C@H]([NH2+]C1CC1)C1CCCC1 ZINC000091261573 325685195 /nfs/dbraw/zinc/68/51/95/325685195.db2.gz CRIQNRAWZZDHHY-MRXNPFEDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@@H]([NH2+]C1CC1)C1CCCC1 ZINC000091261575 388762007 /nfs/dbraw/zinc/76/20/07/388762007.db2.gz CRIQNRAWZZDHHY-INIZCTEOSA-N 1 0 245.366 3.679 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000091261829 345590172 /nfs/dbraw/zinc/59/01/72/345590172.db2.gz ZPRYQUIBMQKUGI-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000091261830 345590575 /nfs/dbraw/zinc/59/05/75/345590575.db2.gz ZPRYQUIBMQKUGI-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091262466 643329699 /nfs/dbraw/zinc/32/96/99/643329699.db2.gz DSESRCVPBVIQEP-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091262468 631868027 /nfs/dbraw/zinc/86/80/27/631868027.db2.gz DSESRCVPBVIQEP-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091262706 383953955 /nfs/dbraw/zinc/95/39/55/383953955.db2.gz PEMCJSKPJZKVKC-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO CCCCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091262712 383954958 /nfs/dbraw/zinc/95/49/58/383954958.db2.gz PEMCJSKPJZKVKC-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000091262936 345590288 /nfs/dbraw/zinc/59/02/88/345590288.db2.gz KPXZHBAHVCHNNB-INIZCTEOSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000091262938 345590620 /nfs/dbraw/zinc/59/06/20/345590620.db2.gz KPXZHBAHVCHNNB-MRXNPFEDSA-N 1 0 240.350 3.569 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000091262946 345590648 /nfs/dbraw/zinc/59/06/48/345590648.db2.gz TWZQIAYWLHJSGI-HNNXBMFYSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000091262948 345590194 /nfs/dbraw/zinc/59/01/94/345590194.db2.gz TWZQIAYWLHJSGI-OAHLLOKOSA-N 1 0 232.371 3.701 20 0 BHADRO CSCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000091263531 383955009 /nfs/dbraw/zinc/95/50/09/383955009.db2.gz CQWHIKAPUUYDJL-CQSZACIVSA-N 1 0 237.412 3.645 20 0 BHADRO CSCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000091263533 383955079 /nfs/dbraw/zinc/95/50/79/383955079.db2.gz CQWHIKAPUUYDJL-AWEZNQCLSA-N 1 0 237.412 3.645 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC(C)CC1)c1cccnc1 ZINC000091264376 345590667 /nfs/dbraw/zinc/59/06/67/345590667.db2.gz XZIDTASJOWAGMS-AVVWSFFYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC(C)CC1)c1cccnc1 ZINC000091264377 345590101 /nfs/dbraw/zinc/59/01/01/345590101.db2.gz XZIDTASJOWAGMS-BCLQGDPASA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000091264393 345590569 /nfs/dbraw/zinc/59/05/69/345590569.db2.gz AGCGDUYNTSLPEZ-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000091264395 345590658 /nfs/dbraw/zinc/59/06/58/345590658.db2.gz AGCGDUYNTSLPEZ-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CCCC1)c1cccnc1 ZINC000091280394 345590229 /nfs/dbraw/zinc/59/02/29/345590229.db2.gz NAKPXDAPVOBEGQ-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CCCC1)c1cccnc1 ZINC000091280395 345590532 /nfs/dbraw/zinc/59/05/32/345590532.db2.gz NAKPXDAPVOBEGQ-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091280800 345590540 /nfs/dbraw/zinc/59/05/40/345590540.db2.gz HLFWWSOKGWOWHB-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091280801 345590598 /nfs/dbraw/zinc/59/05/98/345590598.db2.gz HLFWWSOKGWOWHB-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccsc1)c1cccnc1 ZINC000091285410 345590636 /nfs/dbraw/zinc/59/06/36/345590636.db2.gz DBQWTCJYFRULRO-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccsc1)c1cccnc1 ZINC000091285411 345590298 /nfs/dbraw/zinc/59/02/98/345590298.db2.gz DBQWTCJYFRULRO-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO COCCCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000091286707 256576752 /nfs/dbraw/zinc/57/67/52/256576752.db2.gz IIAKFWFWXYIMRC-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO COCCCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000091286708 383958188 /nfs/dbraw/zinc/95/81/88/383958188.db2.gz IIAKFWFWXYIMRC-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091288037 170369251 /nfs/dbraw/zinc/36/92/51/170369251.db2.gz WCSYWRJTKZAQDH-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000091288038 170369340 /nfs/dbraw/zinc/36/93/40/170369340.db2.gz WCSYWRJTKZAQDH-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091288039 170369487 /nfs/dbraw/zinc/36/94/87/170369487.db2.gz DSNIHCPIFDUJAK-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091288040 170369586 /nfs/dbraw/zinc/36/95/86/170369586.db2.gz DSNIHCPIFDUJAK-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccnc1 ZINC000091309157 345591059 /nfs/dbraw/zinc/59/10/59/345591059.db2.gz ZFBVLFPXBYKREZ-HOCLYGCPSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccnc1 ZINC000091309158 345591204 /nfs/dbraw/zinc/59/12/04/345591204.db2.gz ZFBVLFPXBYKREZ-GOEBONIOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccnc1 ZINC000091309159 345591055 /nfs/dbraw/zinc/59/10/55/345591055.db2.gz ZFBVLFPXBYKREZ-ZBFHGGJFSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccnc1 ZINC000091309160 345591024 /nfs/dbraw/zinc/59/10/24/345591024.db2.gz ZFBVLFPXBYKREZ-GDBMZVCRSA-N 1 0 244.382 3.725 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091334476 345591004 /nfs/dbraw/zinc/59/10/04/345591004.db2.gz BERZDKVZJVZJKX-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000091334477 345591198 /nfs/dbraw/zinc/59/11/98/345591198.db2.gz BERZDKVZJVZJKX-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CSCCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000091343518 388761142 /nfs/dbraw/zinc/76/11/42/388761142.db2.gz NKXNLAVEACPSPT-OAHLLOKOSA-N 1 0 249.423 3.789 20 0 BHADRO CSCCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000091343519 388762337 /nfs/dbraw/zinc/76/23/37/388762337.db2.gz NKXNLAVEACPSPT-HNNXBMFYSA-N 1 0 249.423 3.789 20 0 BHADRO CSCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091343648 384117003 /nfs/dbraw/zinc/11/70/03/384117003.db2.gz LGPRPPWTPPMIMX-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CSCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091343649 384118367 /nfs/dbraw/zinc/11/83/67/384118367.db2.gz LGPRPPWTPPMIMX-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091349994 644624602 /nfs/dbraw/zinc/62/46/02/644624602.db2.gz BHVFOHDUXUURCX-AWEZNQCLSA-N 1 0 249.423 3.869 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091349995 644624070 /nfs/dbraw/zinc/62/40/70/644624070.db2.gz BHVFOHDUXUURCX-CQSZACIVSA-N 1 0 249.423 3.869 20 0 BHADRO CCC1(C[NH2+][C@@H](c2cccnc2)C(C)C)CCC1 ZINC000091368732 345591814 /nfs/dbraw/zinc/59/18/14/345591814.db2.gz PXVOUXVGTWEZIP-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@H](c2cccnc2)C(C)C)CCC1 ZINC000091368734 345591687 /nfs/dbraw/zinc/59/16/87/345591687.db2.gz PXVOUXVGTWEZIP-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC=CC1 ZINC000091370599 491130855 /nfs/dbraw/zinc/13/08/55/491130855.db2.gz ONIIDMDBUZZSTF-NSHDSACASA-N 1 0 235.758 3.579 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC=CC1 ZINC000091370600 491130853 /nfs/dbraw/zinc/13/08/53/491130853.db2.gz ONIIDMDBUZZSTF-LLVKDONJSA-N 1 0 235.758 3.579 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C)CCCC1)c1cccnc1 ZINC000091373140 364667901 /nfs/dbraw/zinc/66/79/01/364667901.db2.gz XMEJRMUZFMUSNZ-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C)CCCC1)c1cccnc1 ZINC000091373141 345591808 /nfs/dbraw/zinc/59/18/08/345591808.db2.gz XMEJRMUZFMUSNZ-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091377223 345591654 /nfs/dbraw/zinc/59/16/54/345591654.db2.gz ZGNZATGKBMYJSK-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1(C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091377224 345591573 /nfs/dbraw/zinc/59/15/73/345591573.db2.gz ZGNZATGKBMYJSK-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC1(C[NH2+][C@@H](c2cccs2)C2CC2)CCC1 ZINC000091377237 384126447 /nfs/dbraw/zinc/12/64/47/384126447.db2.gz AABAODCPUAFESI-CYBMUJFWSA-N 1 0 235.396 3.979 20 0 BHADRO CC1(C[NH2+][C@H](c2cccs2)C2CC2)CCC1 ZINC000091377238 256583009 /nfs/dbraw/zinc/58/30/09/256583009.db2.gz AABAODCPUAFESI-ZDUSSCGKSA-N 1 0 235.396 3.979 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000091377241 345591598 /nfs/dbraw/zinc/59/15/98/345591598.db2.gz PXFHMOPPEQPRTH-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000091377242 345591774 /nfs/dbraw/zinc/59/17/74/345591774.db2.gz PXFHMOPPEQPRTH-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C(C)C)CC1)c1cccnc1 ZINC000091377543 345591805 /nfs/dbraw/zinc/59/18/05/345591805.db2.gz RLTXKCITLMGAES-HNNXBMFYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C(C)C)CC1)c1cccnc1 ZINC000091377544 345591705 /nfs/dbraw/zinc/59/17/05/345591705.db2.gz RLTXKCITLMGAES-OAHLLOKOSA-N 1 0 246.398 3.805 20 0 BHADRO c1csc([C@H]([NH2+]CCC2CCC2)C2CC2)c1 ZINC000091377615 491130859 /nfs/dbraw/zinc/13/08/59/491130859.db2.gz UZEWCERFSMCKMR-CQSZACIVSA-N 1 0 235.396 3.979 20 0 BHADRO c1csc([C@@H]([NH2+]CCC2CCC2)C2CC2)c1 ZINC000091377616 491130861 /nfs/dbraw/zinc/13/08/61/491130861.db2.gz UZEWCERFSMCKMR-AWEZNQCLSA-N 1 0 235.396 3.979 20 0 BHADRO CCCC1(C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091377917 345591518 /nfs/dbraw/zinc/59/15/18/345591518.db2.gz QISXMUDFKAQWBP-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CCCC1(C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091377918 345591418 /nfs/dbraw/zinc/59/14/18/345591418.db2.gz QISXMUDFKAQWBP-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCCF)C(C)C ZINC000091399091 383969525 /nfs/dbraw/zinc/96/95/25/383969525.db2.gz ANTANGJRUCTKIY-CQSZACIVSA-N 1 0 223.335 3.641 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCCF)C(C)C ZINC000091399094 383970969 /nfs/dbraw/zinc/97/09/69/383970969.db2.gz ANTANGJRUCTKIY-AWEZNQCLSA-N 1 0 223.335 3.641 20 0 BHADRO CC(C)[C@H]([NH2+]CCCF)c1ccccc1Cl ZINC000091399122 384126476 /nfs/dbraw/zinc/12/64/76/384126476.db2.gz WZTRQLSRUDDOCL-ZDUSSCGKSA-N 1 0 243.753 3.986 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCF)c1ccccc1Cl ZINC000091399124 383971332 /nfs/dbraw/zinc/97/13/32/383971332.db2.gz WZTRQLSRUDDOCL-CYBMUJFWSA-N 1 0 243.753 3.986 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091403066 383970604 /nfs/dbraw/zinc/97/06/04/383970604.db2.gz TYEATVDDQSXYBR-DOMZBBRYSA-N 1 0 249.423 3.787 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091403068 383970262 /nfs/dbraw/zinc/97/02/62/383970262.db2.gz TYEATVDDQSXYBR-IUODEOHRSA-N 1 0 249.423 3.787 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091403070 383969381 /nfs/dbraw/zinc/96/93/81/383969381.db2.gz TYEATVDDQSXYBR-WFASDCNBSA-N 1 0 249.423 3.787 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091403072 383970291 /nfs/dbraw/zinc/97/02/91/383970291.db2.gz TYEATVDDQSXYBR-SWLSCSKDSA-N 1 0 249.423 3.787 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091403122 383971319 /nfs/dbraw/zinc/97/13/19/383971319.db2.gz VKFRFJFLGXRMGV-OCCSQVGLSA-N 1 0 237.412 3.725 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091403123 383971540 /nfs/dbraw/zinc/97/15/40/383971540.db2.gz VKFRFJFLGXRMGV-TZMCWYRMSA-N 1 0 237.412 3.725 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091403125 256582428 /nfs/dbraw/zinc/58/24/28/256582428.db2.gz VKFRFJFLGXRMGV-JSGCOSHPSA-N 1 0 237.412 3.725 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091403127 384126203 /nfs/dbraw/zinc/12/62/03/384126203.db2.gz VKFRFJFLGXRMGV-GXTWGEPZSA-N 1 0 237.412 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C2CC2)CC1)c1cccnc1 ZINC000091403643 345591694 /nfs/dbraw/zinc/59/16/94/345591694.db2.gz NCAQLDPVLIAOGE-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccnc1 ZINC000091403644 345591682 /nfs/dbraw/zinc/59/16/82/345591682.db2.gz NCAQLDPVLIAOGE-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)CC[N@H+](CCSc2ccccc2)C1 ZINC000091439795 383966521 /nfs/dbraw/zinc/96/65/21/383966521.db2.gz FHPPEDSIKNJBMU-UHFFFAOYSA-N 1 0 235.396 3.511 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000091440397 256577425 /nfs/dbraw/zinc/57/74/25/256577425.db2.gz FRHQWXQBQXEYCE-KGLIPLIRSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000091440400 383967607 /nfs/dbraw/zinc/96/76/07/383967607.db2.gz FRHQWXQBQXEYCE-KBPBESRZSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000091440403 383966496 /nfs/dbraw/zinc/96/64/96/383966496.db2.gz FRHQWXQBQXEYCE-ZIAGYGMSSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCSc1ccccc1 ZINC000091440405 383967234 /nfs/dbraw/zinc/96/72/34/383967234.db2.gz FRHQWXQBQXEYCE-UONOGXRCSA-N 1 0 249.423 3.899 20 0 BHADRO Cc1ccnc(N2CCC[C@@H]2C2CCCC2)c1 ZINC000091455869 345592983 /nfs/dbraw/zinc/59/29/83/345592983.db2.gz DEKIKMUUZGGOQW-CQSZACIVSA-N 1 0 230.355 3.549 20 0 BHADRO Cc1ccnc(N2CCC[C@H]2C2CCCC2)c1 ZINC000091455870 345593059 /nfs/dbraw/zinc/59/30/59/345593059.db2.gz DEKIKMUUZGGOQW-AWEZNQCLSA-N 1 0 230.355 3.549 20 0 BHADRO Cc1cccc(CNc2cccnc2C)c1C ZINC000091495372 360117590 /nfs/dbraw/zinc/11/75/90/360117590.db2.gz VOCXSVOJYGCPQG-UHFFFAOYSA-N 1 0 226.323 3.619 20 0 BHADRO CSc1ccc(CNc2cccnc2C)cc1 ZINC000091495482 360117510 /nfs/dbraw/zinc/11/75/10/360117510.db2.gz UIYBBNWPVQLTSH-UHFFFAOYSA-N 1 0 244.363 3.724 20 0 BHADRO Cc1ccc(C)c(CNc2cccnc2C)c1 ZINC000091495490 360116822 /nfs/dbraw/zinc/11/68/22/360116822.db2.gz LWDFMTAYMNHRCY-UHFFFAOYSA-N 1 0 226.323 3.619 20 0 BHADRO Cc1ncccc1NCc1cc2ccccc2o1 ZINC000091495718 360116989 /nfs/dbraw/zinc/11/69/89/360116989.db2.gz RQZIVHABEMUPSM-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1 ZINC000091527890 383978695 /nfs/dbraw/zinc/97/86/95/383978695.db2.gz HJWAJMFHXHUXAJ-HNNXBMFYSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1 ZINC000091527891 383979028 /nfs/dbraw/zinc/97/90/28/383979028.db2.gz HJWAJMFHXHUXAJ-OAHLLOKOSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccccc1F ZINC000091555059 384134134 /nfs/dbraw/zinc/13/41/34/384134134.db2.gz YNNCWDLSHOEBDK-QWRGUYRKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccccc1F ZINC000091555061 384132396 /nfs/dbraw/zinc/13/23/96/384132396.db2.gz YNNCWDLSHOEBDK-WDEREUQCSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccccc1F ZINC000091555062 383981291 /nfs/dbraw/zinc/98/12/91/383981291.db2.gz YNNCWDLSHOEBDK-MNOVXSKESA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccccc1F ZINC000091555064 384133683 /nfs/dbraw/zinc/13/36/83/384133683.db2.gz YNNCWDLSHOEBDK-GHMZBOCLSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000091555130 384133766 /nfs/dbraw/zinc/13/37/66/384133766.db2.gz ARZUWABIHLLCEB-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000091555132 256584107 /nfs/dbraw/zinc/58/41/07/256584107.db2.gz ARZUWABIHLLCEB-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000091555134 384133039 /nfs/dbraw/zinc/13/30/39/384133039.db2.gz ARZUWABIHLLCEB-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000091555136 383980954 /nfs/dbraw/zinc/98/09/54/383980954.db2.gz ARZUWABIHLLCEB-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](CC)c1ccccc1 ZINC000091555160 384133840 /nfs/dbraw/zinc/13/38/40/384133840.db2.gz CJPIYSHRYHDXHJ-KBPBESRZSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](CC)c1ccccc1 ZINC000091555163 256578749 /nfs/dbraw/zinc/57/87/49/256578749.db2.gz CJPIYSHRYHDXHJ-KGLIPLIRSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)CSC)c1ccccc1 ZINC000091555164 256578742 /nfs/dbraw/zinc/57/87/42/256578742.db2.gz CJPIYSHRYHDXHJ-UONOGXRCSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](CC)c1ccccc1 ZINC000091555167 256578231 /nfs/dbraw/zinc/57/82/31/256578231.db2.gz CJPIYSHRYHDXHJ-ZIAGYGMSSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000091555236 383983810 /nfs/dbraw/zinc/98/38/10/383983810.db2.gz RPBFWVXFGFZULJ-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000091555238 383984698 /nfs/dbraw/zinc/98/46/98/383984698.db2.gz RPBFWVXFGFZULJ-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000091555240 383983976 /nfs/dbraw/zinc/98/39/76/383983976.db2.gz RPBFWVXFGFZULJ-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000091555243 383984044 /nfs/dbraw/zinc/98/40/44/383984044.db2.gz RPBFWVXFGFZULJ-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000091555395 256578974 /nfs/dbraw/zinc/57/89/74/256578974.db2.gz DTAGYNPUKJHUEO-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000091555397 383984675 /nfs/dbraw/zinc/98/46/75/383984675.db2.gz DTAGYNPUKJHUEO-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000091555398 383984536 /nfs/dbraw/zinc/98/45/36/383984536.db2.gz DTAGYNPUKJHUEO-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000091555400 383984497 /nfs/dbraw/zinc/98/44/97/383984497.db2.gz DTAGYNPUKJHUEO-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccccc1C ZINC000091555443 383984525 /nfs/dbraw/zinc/98/45/25/383984525.db2.gz BAUGPUHTFSXBMI-STQMWFEESA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccccc1C ZINC000091555445 256583623 /nfs/dbraw/zinc/58/36/23/256583623.db2.gz BAUGPUHTFSXBMI-QWHCGFSZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccccc1C ZINC000091555447 256583708 /nfs/dbraw/zinc/58/37/08/256583708.db2.gz BAUGPUHTFSXBMI-OLZOCXBDSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccccc1C ZINC000091555449 256583454 /nfs/dbraw/zinc/58/34/54/256583454.db2.gz BAUGPUHTFSXBMI-CHWSQXEVSA-N 1 0 237.412 3.787 20 0 BHADRO C=CCCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000091619344 644634696 /nfs/dbraw/zinc/63/46/96/644634696.db2.gz OVJKLLHNKGXBQE-ZDUSSCGKSA-N 1 0 233.355 3.569 20 0 BHADRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000091619345 644633336 /nfs/dbraw/zinc/63/33/36/644633336.db2.gz OVJKLLHNKGXBQE-CYBMUJFWSA-N 1 0 233.355 3.569 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660175 491131250 /nfs/dbraw/zinc/13/12/50/491131250.db2.gz ZUZYDGGBOHGYJS-VHDGCEQUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660177 491131252 /nfs/dbraw/zinc/13/12/52/491131252.db2.gz ZUZYDGGBOHGYJS-BPLDGKMQSA-N 1 0 244.382 3.627 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000091660279 491131248 /nfs/dbraw/zinc/13/12/48/491131248.db2.gz PILWHRBJHTXZRL-OAHLLOKOSA-N 1 0 244.382 3.771 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000091660280 491131161 /nfs/dbraw/zinc/13/11/61/491131161.db2.gz PILWHRBJHTXZRL-HNNXBMFYSA-N 1 0 244.382 3.771 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660283 491131194 /nfs/dbraw/zinc/13/11/94/491131194.db2.gz STKSIJUSESPPEN-UKRRQHHQSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660284 491131165 /nfs/dbraw/zinc/13/11/65/491131165.db2.gz STKSIJUSESPPEN-DZGCQCFKSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091660285 491131168 /nfs/dbraw/zinc/13/11/68/491131168.db2.gz STKSIJUSESPPEN-HIFRSBDPSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091660286 491131195 /nfs/dbraw/zinc/13/11/95/491131195.db2.gz STKSIJUSESPPEN-ZFWWWQNUSA-N 1 0 246.398 3.873 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660381 632120216 /nfs/dbraw/zinc/12/02/16/632120216.db2.gz RDLUYOWEHBXVMZ-CQSZACIVSA-N 1 0 232.371 3.629 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000091660382 632120870 /nfs/dbraw/zinc/12/08/70/632120870.db2.gz RDLUYOWEHBXVMZ-AWEZNQCLSA-N 1 0 232.371 3.629 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091660523 491131196 /nfs/dbraw/zinc/13/11/96/491131196.db2.gz ZSSRHDUJSQWKIO-VHDGCEQUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091660525 491131167 /nfs/dbraw/zinc/13/11/67/491131167.db2.gz ZSSRHDUJSQWKIO-BPLDGKMQSA-N 1 0 244.382 3.627 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]CC1CCCCC1 ZINC000091660529 491131217 /nfs/dbraw/zinc/13/12/17/491131217.db2.gz MOKLEPDLYQJLBF-OAHLLOKOSA-N 1 0 244.382 3.629 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1CCCCC1 ZINC000091660530 491131279 /nfs/dbraw/zinc/13/12/79/491131279.db2.gz MOKLEPDLYQJLBF-HNNXBMFYSA-N 1 0 244.382 3.629 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]CCC1CCCC1 ZINC000091661089 491131244 /nfs/dbraw/zinc/13/12/44/491131244.db2.gz FCTKIYWJVYZBNW-OAHLLOKOSA-N 1 0 244.382 3.629 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]CCC1CCCC1 ZINC000091661090 491131255 /nfs/dbraw/zinc/13/12/55/491131255.db2.gz FCTKIYWJVYZBNW-HNNXBMFYSA-N 1 0 244.382 3.629 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661492 491131381 /nfs/dbraw/zinc/13/13/81/491131381.db2.gz FVASVGKHXWYZHQ-ZIAGYGMSSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661493 491131390 /nfs/dbraw/zinc/13/13/90/491131390.db2.gz FVASVGKHXWYZHQ-UONOGXRCSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661494 491131359 /nfs/dbraw/zinc/13/13/59/491131359.db2.gz FVASVGKHXWYZHQ-KGLIPLIRSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661495 491131378 /nfs/dbraw/zinc/13/13/78/491131378.db2.gz FVASVGKHXWYZHQ-KBPBESRZSA-N 1 0 232.371 3.627 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661502 644634325 /nfs/dbraw/zinc/63/43/25/644634325.db2.gz PLUPDNADNIEYNV-TZMCWYRMSA-N 1 0 232.371 3.627 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661503 644633682 /nfs/dbraw/zinc/63/36/82/644633682.db2.gz PLUPDNADNIEYNV-GXTWGEPZSA-N 1 0 232.371 3.627 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661504 644633266 /nfs/dbraw/zinc/63/32/66/644633266.db2.gz PLUPDNADNIEYNV-OCCSQVGLSA-N 1 0 232.371 3.627 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661505 644634950 /nfs/dbraw/zinc/63/49/50/644634950.db2.gz PLUPDNADNIEYNV-JSGCOSHPSA-N 1 0 232.371 3.627 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3cccnc32)CCCC1 ZINC000091661666 491131468 /nfs/dbraw/zinc/13/14/68/491131468.db2.gz IPUGDVGCHFJENE-CQSZACIVSA-N 1 0 244.382 3.629 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3cccnc32)CCCC1 ZINC000091661667 491131473 /nfs/dbraw/zinc/13/14/73/491131473.db2.gz IPUGDVGCHFJENE-AWEZNQCLSA-N 1 0 244.382 3.629 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)C1CCCC1 ZINC000091661705 488058093 /nfs/dbraw/zinc/05/80/93/488058093.db2.gz FHJWQVMLLUBSKL-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C1CCCC1 ZINC000091661706 488057771 /nfs/dbraw/zinc/05/77/71/488057771.db2.gz FHJWQVMLLUBSKL-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2cccnc21)C1CCCC1 ZINC000091661707 488057819 /nfs/dbraw/zinc/05/78/19/488057819.db2.gz FHJWQVMLLUBSKL-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)C1CCCC1 ZINC000091661708 488057599 /nfs/dbraw/zinc/05/75/99/488057599.db2.gz FHJWQVMLLUBSKL-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661858 491131481 /nfs/dbraw/zinc/13/14/81/491131481.db2.gz QUHNOUMKBBWTAQ-GZBFAFLISA-N 1 0 246.398 3.873 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661860 491131515 /nfs/dbraw/zinc/13/15/15/491131515.db2.gz QUHNOUMKBBWTAQ-KCQAQPDRSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CCC(C)(C)C ZINC000091703958 176026273 /nfs/dbraw/zinc/02/62/73/176026273.db2.gz RLYINMBMDQBRJM-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1cc(C)ccc1OC ZINC000091736891 491131601 /nfs/dbraw/zinc/13/16/01/491131601.db2.gz HOOMLKUXQUOGIU-HNNXBMFYSA-N 1 0 245.366 3.763 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1cc(C)ccc1OC ZINC000091736895 491131594 /nfs/dbraw/zinc/13/15/94/491131594.db2.gz HOOMLKUXQUOGIU-OAHLLOKOSA-N 1 0 245.366 3.763 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2nccs2)CCCC1 ZINC000091737138 384030128 /nfs/dbraw/zinc/03/01/28/384030128.db2.gz OVZNQQUJYRSPRQ-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2nccs2)CCCC1 ZINC000091737141 384027474 /nfs/dbraw/zinc/02/74/74/384027474.db2.gz OVZNQQUJYRSPRQ-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000091796065 360131033 /nfs/dbraw/zinc/13/10/33/360131033.db2.gz PYRYXDKITXYMLG-LLVKDONJSA-N 1 0 240.416 3.744 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000091796067 360131021 /nfs/dbraw/zinc/13/10/21/360131021.db2.gz PYRYXDKITXYMLG-NSHDSACASA-N 1 0 240.416 3.744 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000091796855 384148433 /nfs/dbraw/zinc/14/84/33/384148433.db2.gz GPCZXIDUDCTVGQ-GFCCVEGCSA-N 1 0 230.355 3.646 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000091796859 384048127 /nfs/dbraw/zinc/04/81/27/384048127.db2.gz GPCZXIDUDCTVGQ-LBPRGKRZSA-N 1 0 230.355 3.646 20 0 BHADRO CCOc1ccc(C2=CC[N@@H+](C(C)C)CC2)cc1 ZINC000091800644 360131757 /nfs/dbraw/zinc/13/17/57/360131757.db2.gz YWYLIHQYFUNHDT-UHFFFAOYSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccco1 ZINC000091897948 360135193 /nfs/dbraw/zinc/13/51/93/360135193.db2.gz HPIQDHWHKRIVEP-CYBMUJFWSA-N 1 0 247.363 3.851 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccco1 ZINC000091897951 360135352 /nfs/dbraw/zinc/13/53/52/360135352.db2.gz HPIQDHWHKRIVEP-ZDUSSCGKSA-N 1 0 247.363 3.851 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccoc1 ZINC000091898060 644641442 /nfs/dbraw/zinc/64/14/42/644641442.db2.gz XGZPIJMEAQZPRH-CYBMUJFWSA-N 1 0 247.363 3.851 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccoc1 ZINC000091898063 644642037 /nfs/dbraw/zinc/64/20/37/644642037.db2.gz XGZPIJMEAQZPRH-ZDUSSCGKSA-N 1 0 247.363 3.851 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(Cl)o1)C1(C)CC1 ZINC000091900183 360135277 /nfs/dbraw/zinc/13/52/77/360135277.db2.gz CLOBTLFOHKXBJM-VIFPVBQESA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(Cl)o1)C1(C)CC1 ZINC000091900185 360135105 /nfs/dbraw/zinc/13/51/05/360135105.db2.gz CLOBTLFOHKXBJM-SECBINFHSA-N 1 0 227.735 3.553 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)s1 ZINC000091900412 352088035 /nfs/dbraw/zinc/08/80/35/352088035.db2.gz QPWFGNZJQAWMDR-NSHDSACASA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)s1 ZINC000091900414 352088257 /nfs/dbraw/zinc/08/82/57/352088257.db2.gz QPWFGNZJQAWMDR-LLVKDONJSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000091900548 360135401 /nfs/dbraw/zinc/13/54/01/360135401.db2.gz VMCMSAWDTFDQMG-NSHDSACASA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000091900549 360135177 /nfs/dbraw/zinc/13/51/77/360135177.db2.gz VMCMSAWDTFDQMG-LLVKDONJSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(C)o1 ZINC000091900721 644642120 /nfs/dbraw/zinc/64/21/20/644642120.db2.gz GHDHJVNZOCSLQD-LBPRGKRZSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(C)o1 ZINC000091900722 644641503 /nfs/dbraw/zinc/64/15/03/644641503.db2.gz GHDHJVNZOCSLQD-GFCCVEGCSA-N 1 0 221.344 3.517 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc2[nH]ccc21)C1(C)CC1 ZINC000091900976 360135103 /nfs/dbraw/zinc/13/51/03/360135103.db2.gz OXJAVUWAOWFDKS-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc2[nH]ccc21)C1(C)CC1 ZINC000091900978 360135152 /nfs/dbraw/zinc/13/51/52/360135152.db2.gz OXJAVUWAOWFDKS-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO CC(C)(C)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000091901648 388772219 /nfs/dbraw/zinc/77/22/19/388772219.db2.gz NXMBZMLICZJPFT-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)c1ncc(C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000091937383 360137112 /nfs/dbraw/zinc/13/71/12/360137112.db2.gz IDCUKPGDUMEWIB-PHIMTYICSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1ncc(C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC000091937384 345612724 /nfs/dbraw/zinc/61/27/24/345612724.db2.gz IDCUKPGDUMEWIB-QWRGUYRKSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1ncc(C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC000091937385 345612990 /nfs/dbraw/zinc/61/29/90/345612990.db2.gz IDCUKPGDUMEWIB-GHMZBOCLSA-N 1 0 238.400 3.639 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2[nH]ccc21 ZINC000091937956 360137942 /nfs/dbraw/zinc/13/79/42/360137942.db2.gz XOGZEBFRBDELAQ-TXEJJXNPSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc2[nH]ccc21 ZINC000091937957 360137621 /nfs/dbraw/zinc/13/76/21/360137621.db2.gz XOGZEBFRBDELAQ-RYUDHWBXSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc2[nH]ccc21 ZINC000091937958 360137776 /nfs/dbraw/zinc/13/77/76/360137776.db2.gz XOGZEBFRBDELAQ-VXGBXAGGSA-N 1 0 228.339 3.541 20 0 BHADRO CCCC[C@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000091959785 169012261 /nfs/dbraw/zinc/01/22/61/169012261.db2.gz ZPMAQFLSDPEZMG-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000091959786 344287198 /nfs/dbraw/zinc/28/71/98/344287198.db2.gz ZPMAQFLSDPEZMG-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[N@H+](Cc1ccco1)[C@@H](C)c1cccc(O)c1 ZINC000091975186 344287208 /nfs/dbraw/zinc/28/72/08/344287208.db2.gz PNZITKSGTHYJLI-LBPRGKRZSA-N 1 0 245.322 3.568 20 0 BHADRO CC[N@H+](Cc1ccco1)[C@H](C)c1cccc(O)c1 ZINC000091975187 344286948 /nfs/dbraw/zinc/28/69/48/344286948.db2.gz PNZITKSGTHYJLI-GFCCVEGCSA-N 1 0 245.322 3.568 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@@H](C)c1cccc(O)c1 ZINC000091975264 631546352 /nfs/dbraw/zinc/54/63/52/631546352.db2.gz VNJHMORVKZSMCJ-LBPRGKRZSA-N 1 0 245.322 3.568 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@H](C)c1cccc(O)c1 ZINC000091975265 644644568 /nfs/dbraw/zinc/64/45/68/644644568.db2.gz VNJHMORVKZSMCJ-GFCCVEGCSA-N 1 0 245.322 3.568 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CCC(C)(C)C ZINC000091989447 176034590 /nfs/dbraw/zinc/03/45/90/176034590.db2.gz OWNIOXUTJRBIDT-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CCC(C)(C)C ZINC000091989449 177050484 /nfs/dbraw/zinc/05/04/84/177050484.db2.gz OWNIOXUTJRBIDT-GFCCVEGCSA-N 1 0 220.360 3.511 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000092008582 345614465 /nfs/dbraw/zinc/61/44/65/345614465.db2.gz ARCPUSUERZERAO-UHFFFAOYSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000092009301 345614709 /nfs/dbraw/zinc/61/47/09/345614709.db2.gz LFFCFSQFRUCLBG-VIFPVBQESA-N 1 0 239.746 3.696 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000092009303 345614354 /nfs/dbraw/zinc/61/43/54/345614354.db2.gz LFFCFSQFRUCLBG-SECBINFHSA-N 1 0 239.746 3.696 20 0 BHADRO Cc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)s1 ZINC000092009486 360145838 /nfs/dbraw/zinc/14/58/38/360145838.db2.gz VAMQFORXULZMGA-NSHDSACASA-N 1 0 235.396 3.819 20 0 BHADRO Cc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)s1 ZINC000092009491 360145734 /nfs/dbraw/zinc/14/57/34/360145734.db2.gz VAMQFORXULZMGA-LLVKDONJSA-N 1 0 235.396 3.819 20 0 BHADRO Cc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c(C)o1 ZINC000092009764 643331922 /nfs/dbraw/zinc/33/19/22/643331922.db2.gz BSFQFFRXKAIARO-NSHDSACASA-N 1 0 233.355 3.659 20 0 BHADRO Cc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c(C)o1 ZINC000092009766 643334092 /nfs/dbraw/zinc/33/40/92/643334092.db2.gz BSFQFFRXKAIARO-LLVKDONJSA-N 1 0 233.355 3.659 20 0 BHADRO Cc1ccsc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000092009783 256584102 /nfs/dbraw/zinc/58/41/02/256584102.db2.gz GEAHNDXBOKMHTQ-NSHDSACASA-N 1 0 235.396 3.819 20 0 BHADRO Cc1ccsc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000092009785 384159711 /nfs/dbraw/zinc/15/97/11/384159711.db2.gz GEAHNDXBOKMHTQ-LLVKDONJSA-N 1 0 235.396 3.819 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000092010013 360146326 /nfs/dbraw/zinc/14/63/26/360146326.db2.gz RGAOYIGXTGSEBY-JTQLQIEISA-N 1 0 221.369 3.511 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000092010015 360145969 /nfs/dbraw/zinc/14/59/69/360145969.db2.gz RGAOYIGXTGSEBY-SNVBAGLBSA-N 1 0 221.369 3.511 20 0 BHADRO Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000092015859 360145606 /nfs/dbraw/zinc/14/56/06/360145606.db2.gz IXUNNFTUDLOWRM-OAHLLOKOSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1CCC(C)C ZINC000092015860 360146179 /nfs/dbraw/zinc/14/61/79/360146179.db2.gz IXUNNFTUDLOWRM-HNNXBMFYSA-N 1 0 249.402 3.509 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000092021214 256582854 /nfs/dbraw/zinc/58/28/54/256582854.db2.gz PFDIQPGMSGDPCM-GFCCVEGCSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000092021217 384109058 /nfs/dbraw/zinc/10/90/58/384109058.db2.gz PFDIQPGMSGDPCM-LBPRGKRZSA-N 1 0 243.350 3.737 20 0 BHADRO C[N@H+](CCC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000092067143 345615388 /nfs/dbraw/zinc/61/53/88/345615388.db2.gz GFIGIMPRJMNHDQ-JKSUJKDBSA-N 1 0 229.367 3.522 20 0 BHADRO C[N@H+](CCC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000092067144 345615489 /nfs/dbraw/zinc/61/54/89/345615489.db2.gz GFIGIMPRJMNHDQ-HZPDHXFCSA-N 1 0 229.367 3.522 20 0 BHADRO Fc1ccc2oc(C[NH+]3CCCCC3)cc2c1 ZINC000092106884 345616594 /nfs/dbraw/zinc/61/65/94/345616594.db2.gz MSAGHRRBKVTVJD-UHFFFAOYSA-N 1 0 233.286 3.558 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)Cc1ccsc1 ZINC000092162170 360154110 /nfs/dbraw/zinc/15/41/10/360154110.db2.gz YYFKPWJOZFEANH-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO Cc1ccc(NCC(C)(C)C)c(C[NH+](C)C)c1 ZINC000092169748 538106185 /nfs/dbraw/zinc/10/61/85/538106185.db2.gz QALNGEAKBYGVQE-UHFFFAOYSA-N 1 0 234.387 3.515 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194946 176890007 /nfs/dbraw/zinc/89/00/07/176890007.db2.gz CDJQIVPHIMFZEI-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194949 176914626 /nfs/dbraw/zinc/91/46/26/176914626.db2.gz CDJQIVPHIMFZEI-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(F)cn1 ZINC000092194951 384166966 /nfs/dbraw/zinc/16/69/66/384166966.db2.gz CDJQIVPHIMFZEI-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194953 384166692 /nfs/dbraw/zinc/16/66/92/384166692.db2.gz CDJQIVPHIMFZEI-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cn1 ZINC000092195165 384167498 /nfs/dbraw/zinc/16/74/98/384167498.db2.gz IBTYWZQNTKXNOL-LBPRGKRZSA-N 1 0 248.345 3.762 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cn1 ZINC000092195167 384167217 /nfs/dbraw/zinc/16/72/17/384167217.db2.gz IBTYWZQNTKXNOL-GFCCVEGCSA-N 1 0 248.345 3.762 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1ccc(F)cn1 ZINC000092195234 384167088 /nfs/dbraw/zinc/16/70/88/384167088.db2.gz BJIIECCNXGUXHE-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)cn1 ZINC000092195237 175860988 /nfs/dbraw/zinc/86/09/88/175860988.db2.gz BJIIECCNXGUXHE-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195244 384167439 /nfs/dbraw/zinc/16/74/39/384167439.db2.gz WNMBTXIQZUHZRP-NEPJUHHUSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195248 344290107 /nfs/dbraw/zinc/29/01/07/344290107.db2.gz WNMBTXIQZUHZRP-RYUDHWBXSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195249 384166579 /nfs/dbraw/zinc/16/65/79/384166579.db2.gz WNMBTXIQZUHZRP-VXGBXAGGSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195251 344290220 /nfs/dbraw/zinc/29/02/20/344290220.db2.gz WNMBTXIQZUHZRP-NWDGAFQWSA-N 1 0 238.350 3.696 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195635 711557570 /nfs/dbraw/zinc/55/75/70/711557570.db2.gz MLWHJHFYFYKKFP-NEPJUHHUSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195637 644648843 /nfs/dbraw/zinc/64/88/43/644648843.db2.gz MLWHJHFYFYKKFP-RYUDHWBXSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195642 711557384 /nfs/dbraw/zinc/55/73/84/711557384.db2.gz MLWHJHFYFYKKFP-VXGBXAGGSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195644 644649014 /nfs/dbraw/zinc/64/90/14/644649014.db2.gz MLWHJHFYFYKKFP-NWDGAFQWSA-N 1 0 238.350 3.840 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092196478 171295579 /nfs/dbraw/zinc/29/55/79/171295579.db2.gz XAQNMNGYVZISIN-TUAOUCFPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092196480 171297935 /nfs/dbraw/zinc/29/79/35/171297935.db2.gz XAQNMNGYVZISIN-SRVKXCTJSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)c1ncc(C[N@H+](C)CC(C)(C)C)s1 ZINC000092217592 360157373 /nfs/dbraw/zinc/15/73/73/360157373.db2.gz TZUDVEMFXBOWJC-UHFFFAOYSA-N 1 0 240.416 3.744 20 0 BHADRO Cc1ccc(C[N@@H+](C)CC(C)(C)C)s1 ZINC000092217615 384169281 /nfs/dbraw/zinc/16/92/81/384169281.db2.gz INXQPCHYUFROBU-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)CC(C)(C)C ZINC000092217726 345608182 /nfs/dbraw/zinc/60/81/82/345608182.db2.gz YLRZKUWXEAGCIZ-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000092223810 344290596 /nfs/dbraw/zinc/29/05/96/344290596.db2.gz GFLFXDCBAHZVLJ-GJZGRUSLSA-N 1 0 230.355 3.573 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000092223811 384169649 /nfs/dbraw/zinc/16/96/49/384169649.db2.gz GFLFXDCBAHZVLJ-LSDHHAIUSA-N 1 0 230.355 3.573 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(C)C ZINC000092223974 344290817 /nfs/dbraw/zinc/29/08/17/344290817.db2.gz ITCSFHQISZGFGA-AWEZNQCLSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(C)C ZINC000092223975 384169877 /nfs/dbraw/zinc/16/98/77/384169877.db2.gz ITCSFHQISZGFGA-CQSZACIVSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000092224187 170957197 /nfs/dbraw/zinc/95/71/97/170957197.db2.gz GFWJZGGFOVMGBS-OCCSQVGLSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000092224188 171274921 /nfs/dbraw/zinc/27/49/21/171274921.db2.gz GFWJZGGFOVMGBS-JSGCOSHPSA-N 1 0 220.360 3.511 20 0 BHADRO CCCCC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000092224773 360157329 /nfs/dbraw/zinc/15/73/29/360157329.db2.gz GOAYSWFSHVLCDD-AWEZNQCLSA-N 1 0 220.360 3.655 20 0 BHADRO CCCCC[N@H+](C)[C@H](CC)c1ccncc1 ZINC000092224774 360156772 /nfs/dbraw/zinc/15/67/72/360156772.db2.gz GOAYSWFSHVLCDD-CQSZACIVSA-N 1 0 220.360 3.655 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(C)(C)C ZINC000092224814 388792612 /nfs/dbraw/zinc/79/26/12/388792612.db2.gz KFQPWNQTOJMYFE-AWEZNQCLSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(C)(C)C ZINC000092224815 388792114 /nfs/dbraw/zinc/79/21/14/388792114.db2.gz KFQPWNQTOJMYFE-CQSZACIVSA-N 1 0 234.387 3.901 20 0 BHADRO c1ccc2c(c1)SC[C@H]2C[NH2+]C1CCCCC1 ZINC000092238077 256583695 /nfs/dbraw/zinc/58/36/95/256583695.db2.gz YMBSFXYBYWMECD-GFCCVEGCSA-N 1 0 247.407 3.798 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CCCCC1 ZINC000092238079 256583711 /nfs/dbraw/zinc/58/37/11/256583711.db2.gz YMBSFXYBYWMECD-LBPRGKRZSA-N 1 0 247.407 3.798 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092274812 256584245 /nfs/dbraw/zinc/58/42/45/256584245.db2.gz JOUXEGPHYXPBIZ-CHWSQXEVSA-N 1 0 249.423 3.900 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092274813 384171633 /nfs/dbraw/zinc/17/16/33/384171633.db2.gz JOUXEGPHYXPBIZ-QWHCGFSZSA-N 1 0 249.423 3.900 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092274814 384170678 /nfs/dbraw/zinc/17/06/78/384170678.db2.gz JOUXEGPHYXPBIZ-OLZOCXBDSA-N 1 0 249.423 3.900 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092274815 256584656 /nfs/dbraw/zinc/58/46/56/256584656.db2.gz JOUXEGPHYXPBIZ-STQMWFEESA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275069 384172085 /nfs/dbraw/zinc/17/20/85/384172085.db2.gz UDXRNGHITVNHKX-YNEHKIRRSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275071 384171876 /nfs/dbraw/zinc/17/18/76/384171876.db2.gz UDXRNGHITVNHKX-RWMBFGLXSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C(C)C ZINC000092275096 256584345 /nfs/dbraw/zinc/58/43/45/256584345.db2.gz SSUKHKRWHWEWKD-OCCSQVGLSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C(C)C ZINC000092275097 384172057 /nfs/dbraw/zinc/17/20/57/384172057.db2.gz SSUKHKRWHWEWKD-TZMCWYRMSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CSc2ccccc21)C(C)C ZINC000092275098 256584361 /nfs/dbraw/zinc/58/43/61/256584361.db2.gz SSUKHKRWHWEWKD-JSGCOSHPSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C(C)C ZINC000092275099 256584749 /nfs/dbraw/zinc/58/47/49/256584749.db2.gz SSUKHKRWHWEWKD-GXTWGEPZSA-N 1 0 249.423 3.900 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275524 384170572 /nfs/dbraw/zinc/17/05/72/384170572.db2.gz MXSCOJYYZZFTPZ-BZPMIXESSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275526 256584905 /nfs/dbraw/zinc/58/49/05/256584905.db2.gz MXSCOJYYZZFTPZ-YRGRVCCFSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275587 135573805 /nfs/dbraw/zinc/57/38/05/135573805.db2.gz GVCWXAQBCDQTSZ-WCQYABFASA-N 1 0 247.407 3.654 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275588 360160738 /nfs/dbraw/zinc/16/07/38/360160738.db2.gz GVCWXAQBCDQTSZ-DGCLKSJQSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275589 135573696 /nfs/dbraw/zinc/57/36/96/135573696.db2.gz GVCWXAQBCDQTSZ-AAEUAGOBSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275590 135573742 /nfs/dbraw/zinc/57/37/42/135573742.db2.gz GVCWXAQBCDQTSZ-YPMHNXCESA-N 1 0 247.407 3.654 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300026 633991374 /nfs/dbraw/zinc/99/13/74/633991374.db2.gz DTTKTEDZQGGQSE-ZIAGYGMSSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300028 633992043 /nfs/dbraw/zinc/99/20/43/633992043.db2.gz DTTKTEDZQGGQSE-UONOGXRCSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300029 633993232 /nfs/dbraw/zinc/99/32/32/633993232.db2.gz DTTKTEDZQGGQSE-KGLIPLIRSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300030 633993333 /nfs/dbraw/zinc/99/33/33/633993333.db2.gz DTTKTEDZQGGQSE-KBPBESRZSA-N 1 0 247.382 3.721 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092301045 384174422 /nfs/dbraw/zinc/17/44/22/384174422.db2.gz WJSJHZPWLPTHCK-ZIAGYGMSSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092301047 384174644 /nfs/dbraw/zinc/17/46/44/384174644.db2.gz WJSJHZPWLPTHCK-UONOGXRCSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092301048 384173461 /nfs/dbraw/zinc/17/34/61/384173461.db2.gz WJSJHZPWLPTHCK-KGLIPLIRSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092301049 384173511 /nfs/dbraw/zinc/17/35/11/384173511.db2.gz WJSJHZPWLPTHCK-KBPBESRZSA-N 1 0 247.382 3.577 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000092326586 582855493 /nfs/dbraw/zinc/85/54/93/582855493.db2.gz DWUXLYHLGHTYGZ-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1CCCCC1 ZINC000092326587 582855288 /nfs/dbraw/zinc/85/52/88/582855288.db2.gz DWUXLYHLGHTYGZ-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092326653 644653946 /nfs/dbraw/zinc/65/39/46/644653946.db2.gz XJNRWAGTOWRHHZ-MNOVXSKESA-N 1 0 238.375 3.911 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092326654 644653923 /nfs/dbraw/zinc/65/39/23/644653923.db2.gz XJNRWAGTOWRHHZ-QWRGUYRKSA-N 1 0 238.375 3.911 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000092326655 644654070 /nfs/dbraw/zinc/65/40/70/644654070.db2.gz XJNRWAGTOWRHHZ-GHMZBOCLSA-N 1 0 238.375 3.911 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000092326657 644654018 /nfs/dbraw/zinc/65/40/18/644654018.db2.gz XJNRWAGTOWRHHZ-WDEREUQCSA-N 1 0 238.375 3.911 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCCCCC1 ZINC000092326761 582855213 /nfs/dbraw/zinc/85/52/13/582855213.db2.gz POKFJZQMZRYMOY-SNVBAGLBSA-N 1 0 236.359 3.665 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCCCCC1 ZINC000092326764 582855475 /nfs/dbraw/zinc/85/54/75/582855475.db2.gz POKFJZQMZRYMOY-JTQLQIEISA-N 1 0 236.359 3.665 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000092327019 582855484 /nfs/dbraw/zinc/85/54/84/582855484.db2.gz ULCLVTQWAOOBMH-OUJBWJOFSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000092327022 582855341 /nfs/dbraw/zinc/85/53/41/582855341.db2.gz ULCLVTQWAOOBMH-KWBADKCTSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000092327171 582855534 /nfs/dbraw/zinc/85/55/34/582855534.db2.gz WDAIRHZEMHHMIQ-VHSXEESVSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000092327172 582855301 /nfs/dbraw/zinc/85/53/01/582855301.db2.gz WDAIRHZEMHHMIQ-UWVGGRQHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000092327173 582855547 /nfs/dbraw/zinc/85/55/47/582855547.db2.gz WDAIRHZEMHHMIQ-NXEZZACHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000092327174 582855382 /nfs/dbraw/zinc/85/53/82/582855382.db2.gz WDAIRHZEMHHMIQ-ZJUUUORDSA-N 1 0 236.359 3.521 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092327399 582855153 /nfs/dbraw/zinc/85/51/53/582855153.db2.gz FABQNLSGQMAONI-GXFFZTMASA-N 1 0 238.375 3.911 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092327401 582855558 /nfs/dbraw/zinc/85/55/58/582855558.db2.gz FABQNLSGQMAONI-GWCFXTLKSA-N 1 0 238.375 3.911 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1c(C)noc1C ZINC000092327402 582855572 /nfs/dbraw/zinc/85/55/72/582855572.db2.gz FABQNLSGQMAONI-ZWNOBZJWSA-N 1 0 238.375 3.911 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1c(C)noc1C ZINC000092327403 582855401 /nfs/dbraw/zinc/85/54/01/582855401.db2.gz FABQNLSGQMAONI-MFKMUULPSA-N 1 0 238.375 3.911 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092327894 541345498 /nfs/dbraw/zinc/34/54/98/541345498.db2.gz XXGMYTZOZWMIEC-JTQLQIEISA-N 1 0 238.375 3.911 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1c(C)noc1C ZINC000092327896 541345525 /nfs/dbraw/zinc/34/55/25/541345525.db2.gz XXGMYTZOZWMIEC-SNVBAGLBSA-N 1 0 238.375 3.911 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000092327919 541345633 /nfs/dbraw/zinc/34/56/33/541345633.db2.gz NQBIURSTWVDVCC-WDEREUQCSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000092327921 541345554 /nfs/dbraw/zinc/34/55/54/541345554.db2.gz NQBIURSTWVDVCC-QWRGUYRKSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000092327922 541345565 /nfs/dbraw/zinc/34/55/65/541345565.db2.gz NQBIURSTWVDVCC-GHMZBOCLSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000092327923 541345462 /nfs/dbraw/zinc/34/54/62/541345462.db2.gz NQBIURSTWVDVCC-MNOVXSKESA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000092328209 538106646 /nfs/dbraw/zinc/10/66/46/538106646.db2.gz LRIITQWWRQXMSH-RUETXSTFSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000092328210 538106654 /nfs/dbraw/zinc/10/66/54/538106654.db2.gz LRIITQWWRQXMSH-QUNCOHTASA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000092328333 538106652 /nfs/dbraw/zinc/10/66/52/538106652.db2.gz SEHSMOWWRROFEE-OUJBWJOFSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000092328339 538106649 /nfs/dbraw/zinc/10/66/49/538106649.db2.gz SEHSMOWWRROFEE-KWBADKCTSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1c(C)noc1C ZINC000092329194 360162965 /nfs/dbraw/zinc/16/29/65/360162965.db2.gz WYLQVEALYOYLIW-ZWNOBZJWSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1c(C)noc1C ZINC000092329196 135574648 /nfs/dbraw/zinc/57/46/48/135574648.db2.gz WYLQVEALYOYLIW-GXFFZTMASA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1c(C)noc1C ZINC000092329198 360163230 /nfs/dbraw/zinc/16/32/30/360163230.db2.gz WYLQVEALYOYLIW-MFKMUULPSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1c(C)noc1C ZINC000092329200 360163235 /nfs/dbraw/zinc/16/32/35/360163235.db2.gz WYLQVEALYOYLIW-GWCFXTLKSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092354421 345617286 /nfs/dbraw/zinc/61/72/86/345617286.db2.gz SPMMVAXZPPILDD-LLVKDONJSA-N 1 0 246.379 3.698 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092354423 345617172 /nfs/dbraw/zinc/61/71/72/345617172.db2.gz SPMMVAXZPPILDD-NSHDSACASA-N 1 0 246.379 3.698 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CCC2 ZINC000092383208 387211311 /nfs/dbraw/zinc/21/13/11/387211311.db2.gz RBNPTXPQTXLHQT-MRXNPFEDSA-N 1 0 245.366 3.605 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CCC2 ZINC000092383209 387211469 /nfs/dbraw/zinc/21/14/69/387211469.db2.gz RBNPTXPQTXLHQT-INIZCTEOSA-N 1 0 245.366 3.605 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383210 387211033 /nfs/dbraw/zinc/21/10/33/387211033.db2.gz AOPDKZFWVZFYRF-MRXNPFEDSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000092383211 387211693 /nfs/dbraw/zinc/21/16/93/387211693.db2.gz AOPDKZFWVZFYRF-INIZCTEOSA-N 1 0 247.382 3.851 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CCC(C)C)CCC2 ZINC000092383268 387211344 /nfs/dbraw/zinc/21/13/44/387211344.db2.gz AFRJMJJZMZXCMJ-MRXNPFEDSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CCC(C)C)CCC2 ZINC000092383269 135575319 /nfs/dbraw/zinc/57/53/19/135575319.db2.gz AFRJMJJZMZXCMJ-INIZCTEOSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C)CCC2 ZINC000092383758 360165602 /nfs/dbraw/zinc/16/56/02/360165602.db2.gz QVNCHYMLWDJDFW-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C)CCC2 ZINC000092383759 360165755 /nfs/dbraw/zinc/16/57/55/360165755.db2.gz QVNCHYMLWDJDFW-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383972 535524951 /nfs/dbraw/zinc/52/49/51/535524951.db2.gz UZWDJEAVLUQLFC-MLGOLLRUSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383973 135576051 /nfs/dbraw/zinc/57/60/51/135576051.db2.gz UZWDJEAVLUQLFC-BLLLJJGKSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000092383974 360165929 /nfs/dbraw/zinc/16/59/29/360165929.db2.gz UZWDJEAVLUQLFC-WBMJQRKESA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000092383975 360166118 /nfs/dbraw/zinc/16/61/18/360166118.db2.gz UZWDJEAVLUQLFC-LRDDRELGSA-N 1 0 247.382 3.708 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000092401711 360169865 /nfs/dbraw/zinc/16/98/65/360169865.db2.gz IXTVUNSQYORDEI-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000092401712 360169507 /nfs/dbraw/zinc/16/95/07/360169507.db2.gz IXTVUNSQYORDEI-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CCCC(C)C)n1 ZINC000092428459 388805821 /nfs/dbraw/zinc/80/58/21/388805821.db2.gz JFRXIMQUWRYJIJ-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CCCC(C)C)n1 ZINC000092428461 325709750 /nfs/dbraw/zinc/70/97/50/325709750.db2.gz JFRXIMQUWRYJIJ-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)n1)C1CCCCC1 ZINC000092428676 388805175 /nfs/dbraw/zinc/80/51/75/388805175.db2.gz DYSQJOCDLKCONK-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)n1)C1CCCCC1 ZINC000092428678 388805355 /nfs/dbraw/zinc/80/53/55/388805355.db2.gz DYSQJOCDLKCONK-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccoc2C)s1 ZINC000092438539 387212421 /nfs/dbraw/zinc/21/24/21/387212421.db2.gz XSNOWXQQPDENFE-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000092438672 178086282 /nfs/dbraw/zinc/08/62/82/178086282.db2.gz COWQTUGQTLJKNJ-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccoc1C ZINC000092438713 387212800 /nfs/dbraw/zinc/21/28/00/387212800.db2.gz UATFAJUQOYZIBZ-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO Cc1cccc(C[N@H+](C)CCC(F)(F)F)c1C ZINC000092478762 398306268 /nfs/dbraw/zinc/30/62/68/398306268.db2.gz UFZNGHWXPLWCPI-UHFFFAOYSA-N 1 0 245.288 3.688 20 0 BHADRO Cc1cc(C[N@H+](C)CCC(F)(F)F)ccc1F ZINC000092478798 387213822 /nfs/dbraw/zinc/21/38/22/387213822.db2.gz CWKOXZSMIOUKFL-UHFFFAOYSA-N 1 0 249.251 3.518 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](C)CCC(F)(F)F ZINC000092479084 345624547 /nfs/dbraw/zinc/62/45/47/345624547.db2.gz HRVGLOAGMBPNQQ-UHFFFAOYSA-N 1 0 249.251 3.518 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(F)(F)F)cc1C ZINC000092479347 398306678 /nfs/dbraw/zinc/30/66/78/398306678.db2.gz UJIADFHMTJGGHN-UHFFFAOYSA-N 1 0 245.288 3.688 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(F)(F)F)cc1F ZINC000092479795 345624832 /nfs/dbraw/zinc/62/48/32/345624832.db2.gz XIGZHQNSAUSQQP-UHFFFAOYSA-N 1 0 249.251 3.518 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000092485376 345624860 /nfs/dbraw/zinc/62/48/60/345624860.db2.gz FYTZKVWILGUNNI-PWSUYJOCSA-N 1 0 239.746 3.698 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000092485379 345625193 /nfs/dbraw/zinc/62/51/93/345625193.db2.gz FYTZKVWILGUNNI-JQWIXIFHSA-N 1 0 239.746 3.698 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000092485879 387213099 /nfs/dbraw/zinc/21/30/99/387213099.db2.gz FBBZXIDYSIAOGN-YPMHNXCESA-N 1 0 221.369 3.513 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000092485881 387213766 /nfs/dbraw/zinc/21/37/66/387213766.db2.gz FBBZXIDYSIAOGN-AAEUAGOBSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000092485883 183342268 /nfs/dbraw/zinc/34/22/68/183342268.db2.gz RDVJSYLMUJBOLU-OLZOCXBDSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000092485885 183343265 /nfs/dbraw/zinc/34/32/65/183343265.db2.gz RDVJSYLMUJBOLU-STQMWFEESA-N 1 0 221.369 3.513 20 0 BHADRO CCCCC[N@H+](Cc1cnc[nH]1)[C@@H](C)CCC ZINC000092511786 384196027 /nfs/dbraw/zinc/19/60/27/384196027.db2.gz PVYXIWMQAUGQGA-ZDUSSCGKSA-N 1 0 237.391 3.591 20 0 BHADRO CCCCC[N@H+](Cc1cnc[nH]1)[C@H](C)CCC ZINC000092511788 384196320 /nfs/dbraw/zinc/19/63/20/384196320.db2.gz PVYXIWMQAUGQGA-CYBMUJFWSA-N 1 0 237.391 3.591 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000092565976 135577725 /nfs/dbraw/zinc/57/77/25/135577725.db2.gz RICJLFLKTXKUFM-OLZOCXBDSA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000092565977 343958919 /nfs/dbraw/zinc/95/89/19/343958919.db2.gz RICJLFLKTXKUFM-STQMWFEESA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000092565978 343958837 /nfs/dbraw/zinc/95/88/37/343958837.db2.gz RICJLFLKTXKUFM-CHWSQXEVSA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000092565979 135577929 /nfs/dbraw/zinc/57/79/29/135577929.db2.gz RICJLFLKTXKUFM-QWHCGFSZSA-N 1 0 229.433 3.546 20 0 BHADRO CCc1ncc(C[N@@H+](CC)[C@@H](C)C(C)C)s1 ZINC000092590134 345640781 /nfs/dbraw/zinc/64/07/81/345640781.db2.gz CTCFMLLWGIJTME-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO CCc1ncc(C[N@@H+](CC)[C@H](C)C(C)C)s1 ZINC000092590136 345640934 /nfs/dbraw/zinc/64/09/34/345640934.db2.gz CTCFMLLWGIJTME-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CC[N@H+](Cc1sccc1OC)[C@@H](C)C(C)C ZINC000092590224 345640412 /nfs/dbraw/zinc/64/04/12/345640412.db2.gz SZNOZNGJJNPGNR-NSHDSACASA-N 1 0 241.400 3.623 20 0 BHADRO CC[N@H+](Cc1sccc1OC)[C@H](C)C(C)C ZINC000092590226 360185078 /nfs/dbraw/zinc/18/50/78/360185078.db2.gz SZNOZNGJJNPGNR-LLVKDONJSA-N 1 0 241.400 3.623 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@@H](C)C(C)C ZINC000092590547 135579374 /nfs/dbraw/zinc/57/93/74/135579374.db2.gz BQVKEPGNYLMFKK-NSHDSACASA-N 1 0 211.374 3.615 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@H](C)C(C)C ZINC000092590548 360183444 /nfs/dbraw/zinc/18/34/44/360183444.db2.gz BQVKEPGNYLMFKK-LLVKDONJSA-N 1 0 211.374 3.615 20 0 BHADRO CC[N@H+](Cc1ccsc1)[C@@H](C)C(C)C ZINC000092590557 360184873 /nfs/dbraw/zinc/18/48/73/360184873.db2.gz NIJHWTLKUAAENW-NSHDSACASA-N 1 0 211.374 3.615 20 0 BHADRO CC[N@H+](Cc1ccsc1)[C@H](C)C(C)C ZINC000092590558 360183757 /nfs/dbraw/zinc/18/37/57/360183757.db2.gz NIJHWTLKUAAENW-LLVKDONJSA-N 1 0 211.374 3.615 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000092644188 360187909 /nfs/dbraw/zinc/18/79/09/360187909.db2.gz DXHLHFCCZIJUBT-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000092644189 360187381 /nfs/dbraw/zinc/18/73/81/360187381.db2.gz DXHLHFCCZIJUBT-LLVKDONJSA-N 1 0 238.400 3.544 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000092644254 360187887 /nfs/dbraw/zinc/18/78/87/360187887.db2.gz WAOJTIPHHFOLGM-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000092644255 360187392 /nfs/dbraw/zinc/18/73/92/360187392.db2.gz WAOJTIPHHFOLGM-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)o1)CC1CCCC1 ZINC000092667137 344300488 /nfs/dbraw/zinc/30/04/88/344300488.db2.gz LLSILOWCOQPRJE-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)C(C1CC1)C1CC1 ZINC000092703943 345636619 /nfs/dbraw/zinc/63/66/19/345636619.db2.gz WTCPNWGZPYIIAL-UHFFFAOYSA-N 1 0 239.746 3.553 20 0 BHADRO Cc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)s1 ZINC000092704001 384189711 /nfs/dbraw/zinc/18/97/11/384189711.db2.gz VEITZQIJYFCFQF-UHFFFAOYSA-N 1 0 235.396 3.677 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c(C)o1 ZINC000092704072 644666406 /nfs/dbraw/zinc/66/64/06/644666406.db2.gz JKMGZNUEEXXJOQ-UHFFFAOYSA-N 1 0 233.355 3.517 20 0 BHADRO Cc1ccsc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000092704077 384238408 /nfs/dbraw/zinc/23/84/08/384238408.db2.gz GNESDWSEZYURJL-UHFFFAOYSA-N 1 0 235.396 3.677 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000092709525 345448104 /nfs/dbraw/zinc/44/81/04/345448104.db2.gz ZCEKKYAXCQOWSZ-JQWIXIFHSA-N 1 0 239.746 3.698 20 0 BHADRO c1csc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000092709790 345451348 /nfs/dbraw/zinc/45/13/48/345451348.db2.gz PLNBZEWKBLARMM-AAEUAGOBSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000092709792 345451002 /nfs/dbraw/zinc/45/10/02/345451002.db2.gz XHTLPABJIKUMFA-STQMWFEESA-N 1 0 221.369 3.513 20 0 BHADRO CC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000092730959 384250519 /nfs/dbraw/zinc/25/05/19/384250519.db2.gz ZCPJGBYRTYINDZ-CSKARUKUSA-N 1 0 243.272 3.718 20 0 BHADRO CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000092731136 384251691 /nfs/dbraw/zinc/25/16/91/384251691.db2.gz LGGDMSCZJGJWIH-JXMROGBWSA-N 1 0 243.272 3.718 20 0 BHADRO COCc1ccccc1/C=C(/C)C[NH2+]C(C)(C)C ZINC000092732086 384251005 /nfs/dbraw/zinc/25/10/05/384251005.db2.gz WDCIISIHGHEPPO-RAXLEYEMSA-N 1 0 247.382 3.624 20 0 BHADRO C[N@H+](Cc1cncs1)C1CCCCCCC1 ZINC000092737024 644666742 /nfs/dbraw/zinc/66/67/42/644666742.db2.gz STXPRHOCBGKYSN-UHFFFAOYSA-N 1 0 238.400 3.688 20 0 BHADRO CCCN(Cc1ccc(C)s1)CC(F)F ZINC000092737450 360192594 /nfs/dbraw/zinc/19/25/94/360192594.db2.gz YVRMFGXOJWLZOH-UHFFFAOYSA-N 1 0 233.327 3.534 20 0 BHADRO CCCN(Cc1sccc1C)CC(F)F ZINC000092737525 360192540 /nfs/dbraw/zinc/19/25/40/360192540.db2.gz USFMNBSFIGTYLF-UHFFFAOYSA-N 1 0 233.327 3.534 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@H]1CC=CCC1 ZINC000092737654 538107719 /nfs/dbraw/zinc/10/77/19/538107719.db2.gz KXHPITYDACYRKS-NSHDSACASA-N 1 0 235.293 3.617 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@@H]1CC=CCC1 ZINC000092737655 538107603 /nfs/dbraw/zinc/10/76/03/538107603.db2.gz KXHPITYDACYRKS-LLVKDONJSA-N 1 0 235.293 3.617 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)c1cccnc1 ZINC000092745895 325721622 /nfs/dbraw/zinc/72/16/22/325721622.db2.gz KVMKCZBLUAGMCW-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)c1cccnc1 ZINC000092745897 388816673 /nfs/dbraw/zinc/81/66/73/388816673.db2.gz KVMKCZBLUAGMCW-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1ccsc1 ZINC000092753885 538107698 /nfs/dbraw/zinc/10/76/98/538107698.db2.gz GGYAEMJTJXZQPC-UHFFFAOYSA-N 1 0 237.290 3.522 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)o1 ZINC000092780742 345643245 /nfs/dbraw/zinc/64/32/45/345643245.db2.gz CJTPEGNTEVJUJF-GFCCVEGCSA-N 1 0 239.746 3.698 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)o1 ZINC000092780744 345642993 /nfs/dbraw/zinc/64/29/93/345642993.db2.gz CJTPEGNTEVJUJF-LBPRGKRZSA-N 1 0 239.746 3.698 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000092781291 360196484 /nfs/dbraw/zinc/19/64/84/360196484.db2.gz LAQBIWNTTJHQJO-CYBMUJFWSA-N 1 0 221.369 3.513 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000092781293 360196570 /nfs/dbraw/zinc/19/65/70/360196570.db2.gz LAQBIWNTTJHQJO-ZDUSSCGKSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)cs1 ZINC000092781296 360196338 /nfs/dbraw/zinc/19/63/38/360196338.db2.gz NBBQMTHHRCRJGR-CYBMUJFWSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)cs1 ZINC000092781297 360196115 /nfs/dbraw/zinc/19/61/15/360196115.db2.gz NBBQMTHHRCRJGR-ZDUSSCGKSA-N 1 0 221.369 3.513 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1cncs1 ZINC000092784459 259351074 /nfs/dbraw/zinc/35/10/74/259351074.db2.gz IYPJFALLIUEJHN-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000092795556 345643684 /nfs/dbraw/zinc/64/36/84/345643684.db2.gz NTJULJFVLSBYGA-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1CCC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000092795557 345643674 /nfs/dbraw/zinc/64/36/74/345643674.db2.gz NTJULJFVLSBYGA-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000092795558 345643645 /nfs/dbraw/zinc/64/36/45/345643645.db2.gz NTJULJFVLSBYGA-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1CCC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000092795559 345643967 /nfs/dbraw/zinc/64/39/67/345643967.db2.gz NTJULJFVLSBYGA-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000092808039 360201615 /nfs/dbraw/zinc/20/16/15/360201615.db2.gz IMYGBSANIKSWFB-ILXRZTDVSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000092808044 360201091 /nfs/dbraw/zinc/20/10/91/360201091.db2.gz IMYGBSANIKSWFB-KKUMJFAQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000092808045 360201669 /nfs/dbraw/zinc/20/16/69/360201669.db2.gz IMYGBSANIKSWFB-QLFBSQMISA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000092808047 360201109 /nfs/dbraw/zinc/20/11/09/360201109.db2.gz IMYGBSANIKSWFB-SOUVJXGZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000092808061 360200985 /nfs/dbraw/zinc/20/09/85/360200985.db2.gz FWCJWYMTCCTXNV-ILXRZTDVSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000092808063 360201622 /nfs/dbraw/zinc/20/16/22/360201622.db2.gz FWCJWYMTCCTXNV-KKUMJFAQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000092808066 360200815 /nfs/dbraw/zinc/20/08/15/360200815.db2.gz FWCJWYMTCCTXNV-QLFBSQMISA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000092808068 360200737 /nfs/dbraw/zinc/20/07/37/360200737.db2.gz FWCJWYMTCCTXNV-SOUVJXGZSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000092825369 256594757 /nfs/dbraw/zinc/59/47/57/256594757.db2.gz VQBUMHIIZQXXMS-MNOVXSKESA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000092825370 385144241 /nfs/dbraw/zinc/14/42/41/385144241.db2.gz VQBUMHIIZQXXMS-QWRGUYRKSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000092825371 256594861 /nfs/dbraw/zinc/59/48/61/256594861.db2.gz VQBUMHIIZQXXMS-GHMZBOCLSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000092825372 322969317 /nfs/dbraw/zinc/96/93/17/322969317.db2.gz VQBUMHIIZQXXMS-WDEREUQCSA-N 1 0 239.334 3.531 20 0 BHADRO COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1F ZINC000092825419 385146221 /nfs/dbraw/zinc/14/62/21/385146221.db2.gz HDCJZQGHDLZJAR-AAEUAGOBSA-N 1 0 249.329 3.594 20 0 BHADRO COc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)ccc1F ZINC000092825420 385144259 /nfs/dbraw/zinc/14/42/59/385144259.db2.gz HDCJZQGHDLZJAR-YPMHNXCESA-N 1 0 249.329 3.594 20 0 BHADRO COc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)ccc1F ZINC000092825421 385145165 /nfs/dbraw/zinc/14/51/65/385145165.db2.gz HDCJZQGHDLZJAR-WCQYABFASA-N 1 0 249.329 3.594 20 0 BHADRO COc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)ccc1F ZINC000092825422 385144996 /nfs/dbraw/zinc/14/49/96/385144996.db2.gz HDCJZQGHDLZJAR-DGCLKSJQSA-N 1 0 249.329 3.594 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCCCC1)CC2 ZINC000092835259 385146506 /nfs/dbraw/zinc/14/65/06/385146506.db2.gz XRTQICHZLKOSKG-MRXNPFEDSA-N 1 0 245.366 3.605 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000092835260 385144316 /nfs/dbraw/zinc/14/43/16/385144316.db2.gz XRTQICHZLKOSKG-INIZCTEOSA-N 1 0 245.366 3.605 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092835567 631560526 /nfs/dbraw/zinc/56/05/26/631560526.db2.gz GAEAHJXZKFXOKF-MRXNPFEDSA-N 1 0 247.382 3.852 20 0 BHADRO CCCCCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000092835568 644668397 /nfs/dbraw/zinc/66/83/97/644668397.db2.gz GAEAHJXZKFXOKF-INIZCTEOSA-N 1 0 247.382 3.852 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC(C)C)CC2 ZINC000092835723 385155853 /nfs/dbraw/zinc/15/58/53/385155853.db2.gz FTJDRNHDRFAFKN-MLGOLLRUSA-N 1 0 247.382 3.707 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC(C)C)CC2 ZINC000092835724 385155321 /nfs/dbraw/zinc/15/53/21/385155321.db2.gz FTJDRNHDRFAFKN-BLLLJJGKSA-N 1 0 247.382 3.707 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC(C)C)CC2 ZINC000092835725 385154142 /nfs/dbraw/zinc/15/41/42/385154142.db2.gz FTJDRNHDRFAFKN-WBMJQRKESA-N 1 0 247.382 3.707 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC(C)C)CC2 ZINC000092835726 385155562 /nfs/dbraw/zinc/15/55/62/385155562.db2.gz FTJDRNHDRFAFKN-LRDDRELGSA-N 1 0 247.382 3.707 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CCCC(C)C)CC2 ZINC000092836616 385153144 /nfs/dbraw/zinc/15/31/44/385153144.db2.gz BVCNPMCYGHMVRT-MRXNPFEDSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCC(C)C)CC2 ZINC000092836619 322969333 /nfs/dbraw/zinc/96/93/33/322969333.db2.gz BVCNPMCYGHMVRT-INIZCTEOSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092836741 256594749 /nfs/dbraw/zinc/59/47/49/256594749.db2.gz BXVBJPFTEWLNQM-HWWQOWPSSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092836745 385150790 /nfs/dbraw/zinc/15/07/90/385150790.db2.gz BXVBJPFTEWLNQM-MQIPJXDCSA-N 1 0 247.382 3.707 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092837105 385160978 /nfs/dbraw/zinc/16/09/78/385160978.db2.gz NQYZKPZWEVXYER-CZUORRHYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092837108 385162755 /nfs/dbraw/zinc/16/27/55/385162755.db2.gz NQYZKPZWEVXYER-XJKSGUPXSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000092837109 322969336 /nfs/dbraw/zinc/96/93/36/322969336.db2.gz NQYZKPZWEVXYER-CJNGLKHVSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000092837111 385161137 /nfs/dbraw/zinc/16/11/37/385161137.db2.gz NQYZKPZWEVXYER-BBRMVZONSA-N 1 0 247.382 3.851 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C(C)C)CC2 ZINC000092837602 385166506 /nfs/dbraw/zinc/16/65/06/385166506.db2.gz XEDGEJYQZULDIA-BLLLJJGKSA-N 1 0 247.382 3.564 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C(C)C)CC2 ZINC000092837604 385169546 /nfs/dbraw/zinc/16/95/46/385169546.db2.gz XEDGEJYQZULDIA-MLGOLLRUSA-N 1 0 247.382 3.564 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C(C)C)CC2 ZINC000092837606 256594760 /nfs/dbraw/zinc/59/47/60/256594760.db2.gz XEDGEJYQZULDIA-LRDDRELGSA-N 1 0 247.382 3.564 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C(C)C)CC2 ZINC000092837608 385170754 /nfs/dbraw/zinc/17/07/54/385170754.db2.gz XEDGEJYQZULDIA-WBMJQRKESA-N 1 0 247.382 3.564 20 0 BHADRO CC[N@@H+](Cc1ccoc1)Cc1ccc(C)s1 ZINC000092935820 538108001 /nfs/dbraw/zinc/10/80/01/538108001.db2.gz JSGWUCMIEBXIRE-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1sccc1C ZINC000092935858 538108252 /nfs/dbraw/zinc/10/82/52/538108252.db2.gz VWPDLMKWNMLHCI-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2occc2C)s1 ZINC000093049398 135587717 /nfs/dbraw/zinc/58/77/17/135587717.db2.gz NPMCVAPEDIASLO-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1ccc(Cl)s1 ZINC000093062625 385647852 /nfs/dbraw/zinc/64/78/52/385647852.db2.gz YXXMVJNASRKQDD-SECBINFHSA-N 1 0 231.792 3.580 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1ccc(Cl)s1 ZINC000093062626 262742792 /nfs/dbraw/zinc/74/27/92/262742792.db2.gz YXXMVJNASRKQDD-VIFPVBQESA-N 1 0 231.792 3.580 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCCOCc1ccccc1 ZINC000093066561 535523576 /nfs/dbraw/zinc/52/35/76/535523576.db2.gz DNTGTTJWBBDIPA-OAHLLOKOSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@H](C)C[NH2+]CCCCOCc1ccccc1 ZINC000093066562 135587740 /nfs/dbraw/zinc/58/77/40/135587740.db2.gz DNTGTTJWBBDIPA-HNNXBMFYSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000093066652 535524529 /nfs/dbraw/zinc/52/45/29/535524529.db2.gz FPIZJIMRJGPUKB-TZMCWYRMSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000093066653 360213653 /nfs/dbraw/zinc/21/36/53/360213653.db2.gz FPIZJIMRJGPUKB-GXTWGEPZSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000093066654 535524688 /nfs/dbraw/zinc/52/46/88/535524688.db2.gz FPIZJIMRJGPUKB-OCCSQVGLSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000093066655 360213533 /nfs/dbraw/zinc/21/35/33/360213533.db2.gz FPIZJIMRJGPUKB-JSGCOSHPSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000093066698 384206960 /nfs/dbraw/zinc/20/69/60/384206960.db2.gz QVRRMKXYJMNCJC-SNVBAGLBSA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000093066699 398094268 /nfs/dbraw/zinc/09/42/68/398094268.db2.gz QVRRMKXYJMNCJC-JTQLQIEISA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000093067335 171526444 /nfs/dbraw/zinc/52/64/44/171526444.db2.gz ZJLXZNQPCZHFPK-KOLCDFICSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000093067336 171286979 /nfs/dbraw/zinc/28/69/79/171286979.db2.gz ZJLXZNQPCZHFPK-ONGXEEELSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000093067337 491121681 /nfs/dbraw/zinc/12/16/81/491121681.db2.gz ZJLXZNQPCZHFPK-MWLCHTKSSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1nc(C)cs1 ZINC000093067338 171287496 /nfs/dbraw/zinc/28/74/96/171287496.db2.gz ZJLXZNQPCZHFPK-GXSJLCMTSA-N 1 0 226.389 3.538 20 0 BHADRO CCCC[C@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC000093074262 360213518 /nfs/dbraw/zinc/21/35/18/360213518.db2.gz BUSSEWIJCHVXMV-HNNXBMFYSA-N 1 0 235.371 3.925 20 0 BHADRO CCCC[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1 ZINC000093074263 360213552 /nfs/dbraw/zinc/21/35/52/360213552.db2.gz BUSSEWIJCHVXMV-OAHLLOKOSA-N 1 0 235.371 3.925 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000093074715 388824480 /nfs/dbraw/zinc/82/44/80/388824480.db2.gz GHWUIPNYDDDKQX-CYBMUJFWSA-N 1 0 244.382 3.736 20 0 BHADRO CC[C@H](C)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000093074716 325731201 /nfs/dbraw/zinc/73/12/01/325731201.db2.gz GHWUIPNYDDDKQX-ZDUSSCGKSA-N 1 0 244.382 3.736 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000093076933 386095884 /nfs/dbraw/zinc/09/58/84/386095884.db2.gz TXORTTGDTRLXPD-NEPJUHHUSA-N 1 0 225.401 3.562 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000093076934 259417724 /nfs/dbraw/zinc/41/77/24/259417724.db2.gz TXORTTGDTRLXPD-RYUDHWBXSA-N 1 0 225.401 3.562 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)Cc1cccs1 ZINC000093076935 386095920 /nfs/dbraw/zinc/09/59/20/386095920.db2.gz TXORTTGDTRLXPD-VXGBXAGGSA-N 1 0 225.401 3.562 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)Cc1cccs1 ZINC000093076936 259417711 /nfs/dbraw/zinc/41/77/11/259417711.db2.gz TXORTTGDTRLXPD-NWDGAFQWSA-N 1 0 225.401 3.562 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000093076977 259417719 /nfs/dbraw/zinc/41/77/19/259417719.db2.gz REDWCSZJROMYPY-BXKDBHETSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000093076978 386095776 /nfs/dbraw/zinc/09/57/76/386095776.db2.gz REDWCSZJROMYPY-JOYOIKCWSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000093076979 259417793 /nfs/dbraw/zinc/41/77/93/259417793.db2.gz REDWCSZJROMYPY-SKDRFNHKSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000093076980 259417889 /nfs/dbraw/zinc/41/78/89/259417889.db2.gz REDWCSZJROMYPY-CABZTGNLSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000093077010 386097230 /nfs/dbraw/zinc/09/72/30/386097230.db2.gz VELMXVHEQKDIGF-BXKDBHETSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000093077011 386097057 /nfs/dbraw/zinc/09/70/57/386097057.db2.gz VELMXVHEQKDIGF-JOYOIKCWSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000093077012 386096052 /nfs/dbraw/zinc/09/60/52/386096052.db2.gz VELMXVHEQKDIGF-SKDRFNHKSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000093077013 386095989 /nfs/dbraw/zinc/09/59/89/386095989.db2.gz VELMXVHEQKDIGF-CABZTGNLSA-N 1 0 238.400 3.538 20 0 BHADRO CCC(CC)c1cc(C[NH2+]C[C@H](C)CC)on1 ZINC000093077015 325730646 /nfs/dbraw/zinc/73/06/46/325730646.db2.gz FLWGVDFQNKVFIQ-LLVKDONJSA-N 1 0 238.375 3.714 20 0 BHADRO CCC(CC)c1cc(C[NH2+]C[C@@H](C)CC)on1 ZINC000093077016 388823612 /nfs/dbraw/zinc/82/36/12/388823612.db2.gz FLWGVDFQNKVFIQ-NSHDSACASA-N 1 0 238.375 3.714 20 0 BHADRO CCOCCC1(C[NH2+]C[C@H](C)CC)CCCC1 ZINC000093083103 360215376 /nfs/dbraw/zinc/21/53/76/360215376.db2.gz XSYYZRSMLMVHGT-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CCOCCC1(C[NH2+]C[C@@H](C)CC)CCCC1 ZINC000093083105 360214812 /nfs/dbraw/zinc/21/48/12/360214812.db2.gz XSYYZRSMLMVHGT-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1ncccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000093085416 360215332 /nfs/dbraw/zinc/21/53/32/360215332.db2.gz UORKEPIRXULCAZ-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000093102659 360218067 /nfs/dbraw/zinc/21/80/67/360218067.db2.gz XLXDXTWXVSOCQS-ZDUSSCGKSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000093102660 360218108 /nfs/dbraw/zinc/21/81/08/360218108.db2.gz XLXDXTWXVSOCQS-CYBMUJFWSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]c2)s1 ZINC000093102747 345657031 /nfs/dbraw/zinc/65/70/31/345657031.db2.gz RRDIPMPKAWLHCD-ZDUSSCGKSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]c2)s1 ZINC000093102748 345656652 /nfs/dbraw/zinc/65/66/52/345656652.db2.gz RRDIPMPKAWLHCD-CYBMUJFWSA-N 1 0 246.379 3.722 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccsc1 ZINC000093102953 644677281 /nfs/dbraw/zinc/67/72/81/644677281.db2.gz PDLYASARQUSUAM-PHIMTYICSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@@H](C)CNc1cc(C)cc(C[NH+](C)C)c1 ZINC000093111276 345657006 /nfs/dbraw/zinc/65/70/06/345657006.db2.gz ANVCKLWBBCITNB-GFCCVEGCSA-N 1 0 234.387 3.515 20 0 BHADRO CC[C@H](C)CNc1cc(C)cc(C[NH+](C)C)c1 ZINC000093111277 345657138 /nfs/dbraw/zinc/65/71/38/345657138.db2.gz ANVCKLWBBCITNB-LBPRGKRZSA-N 1 0 234.387 3.515 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CCC2 ZINC000093115813 345657194 /nfs/dbraw/zinc/65/71/94/345657194.db2.gz QIDAIXTVKSYSMJ-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CCC2 ZINC000093115816 345657071 /nfs/dbraw/zinc/65/70/71/345657071.db2.gz QIDAIXTVKSYSMJ-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)CCC2 ZINC000093116129 345656841 /nfs/dbraw/zinc/65/68/41/345656841.db2.gz QXWMHUJQYJKBMG-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)CCC2 ZINC000093116130 345657209 /nfs/dbraw/zinc/65/72/09/345657209.db2.gz QXWMHUJQYJKBMG-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cncs1)C1CC1 ZINC000093132095 360220160 /nfs/dbraw/zinc/22/01/60/360220160.db2.gz JTSPOSYLGOUPSE-GHMZBOCLSA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cncs1)C1CC1 ZINC000093132096 360220175 /nfs/dbraw/zinc/22/01/75/360220175.db2.gz JTSPOSYLGOUPSE-WDEREUQCSA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cncs1)C1CC1 ZINC000093132097 360219859 /nfs/dbraw/zinc/21/98/59/360219859.db2.gz JTSPOSYLGOUPSE-MNOVXSKESA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cncs1)C1CC1 ZINC000093132098 360219200 /nfs/dbraw/zinc/21/92/00/360219200.db2.gz JTSPOSYLGOUPSE-QWRGUYRKSA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093132257 360220371 /nfs/dbraw/zinc/22/03/71/360220371.db2.gz YTGNONGAFVHPDM-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093132258 360220363 /nfs/dbraw/zinc/22/03/63/360220363.db2.gz YTGNONGAFVHPDM-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093132259 135590413 /nfs/dbraw/zinc/59/04/13/135590413.db2.gz YTGNONGAFVHPDM-OCCSQVGLSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cccnc1C)C1CC1 ZINC000093132260 360219944 /nfs/dbraw/zinc/21/99/44/360219944.db2.gz YTGNONGAFVHPDM-JSGCOSHPSA-N 1 0 246.398 3.789 20 0 BHADRO Cc1cccnc1C[N@@H+](C)C1CCCCCC1 ZINC000093157926 388827315 /nfs/dbraw/zinc/82/73/15/388827315.db2.gz BTOGGKMNHJINNC-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000093158094 179372001 /nfs/dbraw/zinc/37/20/01/179372001.db2.gz BTFJSUHAXRPUOC-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000093158095 179373573 /nfs/dbraw/zinc/37/35/73/179373573.db2.gz BTFJSUHAXRPUOC-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000093158159 488135051 /nfs/dbraw/zinc/13/50/51/488135051.db2.gz OJDANIYTMYKOKB-HOCLYGCPSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccnc1C[NH+](CC(C)C)CC(C)C ZINC000093158716 388827537 /nfs/dbraw/zinc/82/75/37/388827537.db2.gz ZGNIOVUWJWUNOI-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO CCCCC[N@H+](Cc1ncccc1C)C(C)C ZINC000093158881 388827607 /nfs/dbraw/zinc/82/76/07/388827607.db2.gz UFNYJYPNJKENRO-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ncccc1C ZINC000093159002 388827546 /nfs/dbraw/zinc/82/75/46/388827546.db2.gz YTZACYHGFPMMLF-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO CC[N@H+](Cc1ncccc1C)C1CCCCC1 ZINC000093159103 344309773 /nfs/dbraw/zinc/30/97/73/344309773.db2.gz NHZJORKNVLBHRC-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000093159347 179373560 /nfs/dbraw/zinc/37/35/60/179373560.db2.gz KWJDSEOVKROKSM-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000093159348 179374370 /nfs/dbraw/zinc/37/43/70/179374370.db2.gz KWJDSEOVKROKSM-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000093159677 388827770 /nfs/dbraw/zinc/82/77/70/388827770.db2.gz VOSXFUPBASQZOS-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000093159678 388827551 /nfs/dbraw/zinc/82/75/51/388827551.db2.gz VOSXFUPBASQZOS-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000093168871 345658018 /nfs/dbraw/zinc/65/80/18/345658018.db2.gz VCTLXEPUSJSVQW-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000093168874 364691456 /nfs/dbraw/zinc/69/14/56/364691456.db2.gz VCTLXEPUSJSVQW-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000093171600 386395289 /nfs/dbraw/zinc/39/52/89/386395289.db2.gz YWIXHLOLSSVPGK-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ncccc1C)C1CC1 ZINC000093172291 388827360 /nfs/dbraw/zinc/82/73/60/388827360.db2.gz ALNIOSMJZBOTFQ-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ncccc1C)C1CC1 ZINC000093172292 388827764 /nfs/dbraw/zinc/82/77/64/388827764.db2.gz ALNIOSMJZBOTFQ-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ncccc1C)C1CC1 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388827577 /nfs/dbraw/zinc/82/75/77/388827577.db2.gz TXNLKTGLFFGFQU-FMKPAKJESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccnc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000093188928 179371012 /nfs/dbraw/zinc/37/10/12/179371012.db2.gz PUZICXNOYJBQAL-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000093192664 397964383 /nfs/dbraw/zinc/96/43/83/397964383.db2.gz VCIYUYXRFKRLIC-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO Cc1cccnc1C[N@@H+](C(C)C)C1CCCC1 ZINC000093192838 179369759 /nfs/dbraw/zinc/36/97/59/179369759.db2.gz DDXKNTXRQILARZ-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000093204269 397965419 /nfs/dbraw/zinc/96/54/19/397965419.db2.gz VWJNWMIWUFFKCI-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000093204270 397965148 /nfs/dbraw/zinc/96/51/48/397965148.db2.gz VWJNWMIWUFFKCI-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)[N@H+](CCC(C)(C)C)Cc1cccnc1 ZINC000093224695 345659342 /nfs/dbraw/zinc/65/93/42/345659342.db2.gz NFWITZJOBNOQJJ-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000093234078 360222816 /nfs/dbraw/zinc/22/28/16/360222816.db2.gz SVWHSYQSHHIPHN-ILXRZTDVSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000093234080 360222884 /nfs/dbraw/zinc/22/28/84/360222884.db2.gz SVWHSYQSHHIPHN-KKUMJFAQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000093234082 360223154 /nfs/dbraw/zinc/22/31/54/360223154.db2.gz SVWHSYQSHHIPHN-QLFBSQMISA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000093234083 360223235 /nfs/dbraw/zinc/22/32/35/360223235.db2.gz SVWHSYQSHHIPHN-SOUVJXGZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCC(C)(C)C ZINC000093234493 176029256 /nfs/dbraw/zinc/02/92/56/176029256.db2.gz JRNBZDZMLHSTPA-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCC(C)(C)C ZINC000093234494 177045307 /nfs/dbraw/zinc/04/53/07/177045307.db2.gz JRNBZDZMLHSTPA-GFCCVEGCSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCC(=O)c1ccccc1 ZINC000093252957 385976453 /nfs/dbraw/zinc/97/64/53/385976453.db2.gz LQSFTUOZSMYALQ-CQSZACIVSA-N 1 0 247.382 3.627 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCC(=O)c1ccccc1 ZINC000093252958 385976243 /nfs/dbraw/zinc/97/62/43/385976243.db2.gz LQSFTUOZSMYALQ-AWEZNQCLSA-N 1 0 247.382 3.627 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(Cl)o1 ZINC000093279248 345660448 /nfs/dbraw/zinc/66/04/48/345660448.db2.gz PQWOVTBZSKQBMC-UHFFFAOYSA-N 1 0 215.724 3.553 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000093279297 345660432 /nfs/dbraw/zinc/66/04/32/345660432.db2.gz HIVPAOVMOPFGHK-UHFFFAOYSA-N 1 0 240.416 3.887 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C)s1 ZINC000093279354 345659948 /nfs/dbraw/zinc/65/99/48/345659948.db2.gz GILHOOLYBVBDPB-UHFFFAOYSA-N 1 0 211.374 3.677 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000093279406 644684520 /nfs/dbraw/zinc/68/45/20/644684520.db2.gz ZNIZLSVJZMLCIK-UHFFFAOYSA-N 1 0 235.371 3.629 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1sccc1C ZINC000093279418 345660228 /nfs/dbraw/zinc/66/02/28/345660228.db2.gz UUYYANZQJFADKM-UHFFFAOYSA-N 1 0 211.374 3.677 20 0 BHADRO CCC(C)(C)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000093279469 345660317 /nfs/dbraw/zinc/66/03/17/345660317.db2.gz YLVIQRORAHGSDQ-UHFFFAOYSA-N 1 0 245.366 3.583 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)oc1C ZINC000093279503 643335087 /nfs/dbraw/zinc/33/50/87/643335087.db2.gz KGFJFIXCAFHBMR-UHFFFAOYSA-N 1 0 209.333 3.517 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000093279619 345967425 /nfs/dbraw/zinc/96/74/25/345967425.db2.gz DZFQDSKPZMCIEO-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000093279645 345660400 /nfs/dbraw/zinc/66/04/00/345660400.db2.gz XUSTWRQVDNXWBR-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000093315330 388832291 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/nfs/dbraw/zinc/56/91/14/631569114.db2.gz RHBFDWJEDALTAT-UHFFFAOYSA-N 1 0 239.746 3.699 20 0 BHADRO c1csc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000093336575 644686926 /nfs/dbraw/zinc/68/69/26/644686926.db2.gz JAZPCIDEXZIRDD-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO c1cc(C[N@@H+]2CCC3(CCCC3)C2)cs1 ZINC000093336691 644689188 /nfs/dbraw/zinc/68/91/88/644689188.db2.gz XLACJAWBSNHOEK-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000093339239 538109903 /nfs/dbraw/zinc/10/99/03/538109903.db2.gz ULNYIJSDSRSHKS-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1nccs1 ZINC000093371275 323184327 /nfs/dbraw/zinc/18/43/27/323184327.db2.gz ZFAUUJPCRDBFNS-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1nccs1 ZINC000093371276 323184329 /nfs/dbraw/zinc/18/43/29/323184329.db2.gz ZFAUUJPCRDBFNS-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(O)c1 ZINC000093383595 388835809 /nfs/dbraw/zinc/83/58/09/388835809.db2.gz BTHUJJHDCHCHMD-INWMFGNUSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(O)c1 ZINC000093383597 388835952 /nfs/dbraw/zinc/83/59/52/388835952.db2.gz BTHUJJHDCHCHMD-XPKDYRNWSA-N 1 0 245.366 3.545 20 0 BHADRO Cc1ncccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000093383633 388835528 /nfs/dbraw/zinc/83/55/28/388835528.db2.gz VYNXLSDZHJKLNX-XPKDYRNWSA-N 1 0 244.382 3.543 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000093439416 360242839 /nfs/dbraw/zinc/24/28/39/360242839.db2.gz KMZXYWMPWKAZLW-HNNXBMFYSA-N 1 0 231.339 3.602 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000093439417 360243535 /nfs/dbraw/zinc/24/35/35/360243535.db2.gz KMZXYWMPWKAZLW-OAHLLOKOSA-N 1 0 231.339 3.602 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)co1 ZINC000093439529 634539949 /nfs/dbraw/zinc/53/99/49/634539949.db2.gz LNNWQPZQGHWXNT-OAHLLOKOSA-N 1 0 231.339 3.602 20 0 BHADRO c1coc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000093441624 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CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000093809482 360279559 /nfs/dbraw/zinc/27/95/59/360279559.db2.gz ZWQMBXIREQYRTC-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000093809483 360279595 /nfs/dbraw/zinc/27/95/95/360279595.db2.gz ZWQMBXIREQYRTC-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccco2)[C@H](c2ccco2)C1 ZINC000093811839 360279681 /nfs/dbraw/zinc/27/96/81/360279681.db2.gz CJIBMCYQXPVGLF-OCCSQVGLSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccco2)[C@H](c2ccco2)C1 ZINC000093811840 360279716 /nfs/dbraw/zinc/27/97/16/360279716.db2.gz CJIBMCYQXPVGLF-JSGCOSHPSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@H](c2ccco2)C1 ZINC000093811955 644699845 /nfs/dbraw/zinc/69/98/45/644699845.db2.gz SPCQDHYPNHASJT-OCCSQVGLSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccoc2)[C@H](c2ccco2)C1 ZINC000093811956 644700271 /nfs/dbraw/zinc/70/02/71/644700271.db2.gz SPCQDHYPNHASJT-JSGCOSHPSA-N 1 0 245.322 3.846 20 0 BHADRO CC(C)C[N@H+](Cc1cncs1)CC(C)(C)C ZINC000093817034 384273718 /nfs/dbraw/zinc/27/37/18/384273718.db2.gz DGRQDVXJECVSQB-UHFFFAOYSA-N 1 0 240.416 3.647 20 0 BHADRO CCC(CC)[N@@H+](Cc1cncs1)CC(C)C ZINC000093844702 388854016 /nfs/dbraw/zinc/85/40/16/388854016.db2.gz ZKEXQMRIFVSISE-UHFFFAOYSA-N 1 0 240.416 3.790 20 0 BHADRO CCc1ncc(C[N@@H+](CC)C[C@@H](C)CC)s1 ZINC000093844877 345666162 /nfs/dbraw/zinc/66/61/62/345666162.db2.gz MYSJHTIKCZQWMT-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO CCc1ncc(C[N@@H+](CC)C[C@H](C)CC)s1 ZINC000093844878 345666475 /nfs/dbraw/zinc/66/64/75/345666475.db2.gz MYSJHTIKCZQWMT-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093845134 360284822 /nfs/dbraw/zinc/28/48/22/360284822.db2.gz XJXYPRGSWOWCSX-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093845135 360284923 /nfs/dbraw/zinc/28/49/23/360284923.db2.gz XJXYPRGSWOWCSX-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093845136 360284771 /nfs/dbraw/zinc/28/47/71/360284771.db2.gz XJXYPRGSWOWCSX-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093845137 360284549 /nfs/dbraw/zinc/28/45/49/360284549.db2.gz XJXYPRGSWOWCSX-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@@H]1c1ccccc1 ZINC000093867450 388854415 /nfs/dbraw/zinc/85/44/15/388854415.db2.gz VOXLONFTKXLGFZ-DOMZBBRYSA-N 1 0 243.375 3.941 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccs2)[C@@H]1c1ccccc1 ZINC000093867451 388854534 /nfs/dbraw/zinc/85/45/34/388854534.db2.gz VOXLONFTKXLGFZ-WFASDCNBSA-N 1 0 243.375 3.941 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093867544 345666679 /nfs/dbraw/zinc/66/66/79/345666679.db2.gz SWVSFEWSWHENQB-XJKSGUPXSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093867545 345666602 /nfs/dbraw/zinc/66/66/02/345666602.db2.gz SWVSFEWSWHENQB-CZUORRHYSA-N 1 0 241.334 3.781 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]1c1ccccc1 ZINC000093867605 388854688 /nfs/dbraw/zinc/85/46/88/388854688.db2.gz PBZPKTQEQDRRJH-DOMZBBRYSA-N 1 0 243.375 3.941 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccsc2)[C@@H]1c1ccccc1 ZINC000093867606 388855199 /nfs/dbraw/zinc/85/51/99/388855199.db2.gz PBZPKTQEQDRRJH-WFASDCNBSA-N 1 0 243.375 3.941 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000093870904 360286210 /nfs/dbraw/zinc/28/62/10/360286210.db2.gz SATGVBOHUSZWAQ-LLVKDONJSA-N 1 0 243.441 3.712 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)Cc1cccs1 ZINC000093870905 360285872 /nfs/dbraw/zinc/28/58/72/360285872.db2.gz SATGVBOHUSZWAQ-NSHDSACASA-N 1 0 243.441 3.712 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)Cc1occc1C ZINC000093871017 345666144 /nfs/dbraw/zinc/66/61/44/345666144.db2.gz RIAZPYLOLYXTQN-LBPRGKRZSA-N 1 0 241.400 3.552 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941105 384283873 /nfs/dbraw/zinc/28/38/73/384283873.db2.gz KBOQNRSTRDBKPH-LBPRGKRZSA-N 1 0 234.387 3.592 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941106 322971322 /nfs/dbraw/zinc/97/13/22/322971322.db2.gz KBOQNRSTRDBKPH-GFCCVEGCSA-N 1 0 234.387 3.592 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCCOC ZINC000093943784 325765610 /nfs/dbraw/zinc/76/56/10/325765610.db2.gz HFCCEUIZOAEBKW-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCCOC ZINC000093943786 325765178 /nfs/dbraw/zinc/76/51/78/325765178.db2.gz HFCCEUIZOAEBKW-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000093946799 386927194 /nfs/dbraw/zinc/92/71/94/386927194.db2.gz OCGMDCSFZYPCQX-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000093946801 256638309 /nfs/dbraw/zinc/63/83/09/256638309.db2.gz OCGMDCSFZYPCQX-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000093977941 386927710 /nfs/dbraw/zinc/92/77/10/386927710.db2.gz VPIAXPJBLZRBPU-LKFCYVNXSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000093977942 386928187 /nfs/dbraw/zinc/92/81/87/386928187.db2.gz VPIAXPJBLZRBPU-YMTOWFKASA-N 1 0 235.758 3.715 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000093977943 386927453 /nfs/dbraw/zinc/92/74/53/386927453.db2.gz VPIAXPJBLZRBPU-XPTSAGLGSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000093977944 386927911 /nfs/dbraw/zinc/92/79/11/386927911.db2.gz VPIAXPJBLZRBPU-OTYXRUKQSA-N 1 0 235.758 3.715 20 0 BHADRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCCCC1 ZINC000094074775 541448753 /nfs/dbraw/zinc/44/87/53/541448753.db2.gz JYGVYTWIHOCSBY-INIZCTEOSA-N 1 0 244.382 3.569 20 0 BHADRO Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CCCCCC1 ZINC000094074776 541448801 /nfs/dbraw/zinc/44/88/01/541448801.db2.gz JYGVYTWIHOCSBY-MRXNPFEDSA-N 1 0 244.382 3.569 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094074791 541448759 /nfs/dbraw/zinc/44/87/59/541448759.db2.gz WFKUUFFJCDUJJC-MLGOLLRUSA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094074793 541448624 /nfs/dbraw/zinc/44/86/24/541448624.db2.gz WFKUUFFJCDUJJC-BLLLJJGKSA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094074794 541448581 /nfs/dbraw/zinc/44/85/81/541448581.db2.gz WFKUUFFJCDUJJC-WBMJQRKESA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094074798 541448808 /nfs/dbraw/zinc/44/88/08/541448808.db2.gz WFKUUFFJCDUJJC-LRDDRELGSA-N 1 0 246.398 3.670 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094076795 711739367 /nfs/dbraw/zinc/73/93/67/711739367.db2.gz VNTFGBPZJZIDBM-MLGOLLRUSA-N 1 0 246.398 3.815 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094076797 635180120 /nfs/dbraw/zinc/18/01/20/635180120.db2.gz VNTFGBPZJZIDBM-BLLLJJGKSA-N 1 0 246.398 3.815 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094076799 635179331 /nfs/dbraw/zinc/17/93/31/635179331.db2.gz VNTFGBPZJZIDBM-WBMJQRKESA-N 1 0 246.398 3.815 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094076801 635180094 /nfs/dbraw/zinc/18/00/94/635180094.db2.gz VNTFGBPZJZIDBM-LRDDRELGSA-N 1 0 246.398 3.815 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2C)o1 ZINC000094182528 323188621 /nfs/dbraw/zinc/18/86/21/323188621.db2.gz JEMOVOWVIAXBGF-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2C)o1 ZINC000094182529 323188612 /nfs/dbraw/zinc/18/86/12/323188612.db2.gz JEMOVOWVIAXBGF-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)C1CCCC1 ZINC000094182799 323188572 /nfs/dbraw/zinc/18/85/72/323188572.db2.gz ADWDEYLQUFCTKY-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)C1CCCC1 ZINC000094182800 323188620 /nfs/dbraw/zinc/18/86/20/323188620.db2.gz ADWDEYLQUFCTKY-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)c1cccs1 ZINC000094182830 323188632 /nfs/dbraw/zinc/18/86/32/323188632.db2.gz PSKZZYNNEJMESN-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)c1cccs1 ZINC000094182831 323188638 /nfs/dbraw/zinc/18/86/38/323188638.db2.gz PSKZZYNNEJMESN-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)c1ccsc1 ZINC000094183014 323188593 /nfs/dbraw/zinc/18/85/93/323188593.db2.gz RKKQHDQQFSNHIH-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)c1ccsc1 ZINC000094183015 323188629 /nfs/dbraw/zinc/18/86/29/323188629.db2.gz RKKQHDQQFSNHIH-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000094265972 386941186 /nfs/dbraw/zinc/94/11/86/386941186.db2.gz BDGBXTDGXPFTBT-ZDUSSCGKSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000094265973 386940449 /nfs/dbraw/zinc/94/04/49/386940449.db2.gz BDGBXTDGXPFTBT-CYBMUJFWSA-N 1 0 239.309 3.633 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000094265984 386941076 /nfs/dbraw/zinc/94/10/76/386941076.db2.gz SLQXGZAUZBAQRI-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094265985 386941349 /nfs/dbraw/zinc/94/13/49/386941349.db2.gz SLQXGZAUZBAQRI-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000094265998 386940601 /nfs/dbraw/zinc/94/06/01/386940601.db2.gz XLEWMXHBVMJXIT-ZDUSSCGKSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000094265999 386941501 /nfs/dbraw/zinc/94/15/01/386941501.db2.gz XLEWMXHBVMJXIT-CYBMUJFWSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094266000 386940953 /nfs/dbraw/zinc/94/09/53/386940953.db2.gz SNWHFYFDEIXKTG-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094266001 386941429 /nfs/dbraw/zinc/94/14/29/386941429.db2.gz SNWHFYFDEIXKTG-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC1(C)C ZINC000094266010 386941190 /nfs/dbraw/zinc/94/11/90/386941190.db2.gz GVHBLBLBDPTTLP-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CCCC1(C)C ZINC000094266011 259451503 /nfs/dbraw/zinc/45/15/03/259451503.db2.gz GVHBLBLBDPTTLP-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000094266026 322977352 /nfs/dbraw/zinc/97/73/52/322977352.db2.gz WYJYTGRXWCMDPH-LBPRGKRZSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000094266027 322977303 /nfs/dbraw/zinc/97/73/03/322977303.db2.gz WYJYTGRXWCMDPH-GFCCVEGCSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094266042 386940594 /nfs/dbraw/zinc/94/05/94/386940594.db2.gz JECMMIYZXBEHHS-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000094266043 386940430 /nfs/dbraw/zinc/94/04/30/386940430.db2.gz JECMMIYZXBEHHS-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000094266058 386940370 /nfs/dbraw/zinc/94/03/70/386940370.db2.gz KUNDQWCXTWGTKN-HNNXBMFYSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000094266059 386940856 /nfs/dbraw/zinc/94/08/56/386940856.db2.gz KUNDQWCXTWGTKN-OAHLLOKOSA-N 1 0 242.366 3.836 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094266068 360301086 /nfs/dbraw/zinc/30/10/86/360301086.db2.gz YETSPJZKBNCDRS-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094266069 360301239 /nfs/dbraw/zinc/30/12/39/360301239.db2.gz YETSPJZKBNCDRS-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000094266070 384295358 /nfs/dbraw/zinc/29/53/58/384295358.db2.gz PLGCKJGSIIKRAK-ZDUSSCGKSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000094266071 386941358 /nfs/dbraw/zinc/94/13/58/386941358.db2.gz PLGCKJGSIIKRAK-CYBMUJFWSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000094266096 384296098 /nfs/dbraw/zinc/29/60/98/384296098.db2.gz UMTYZPOYJNMMNE-VSGCLNPGSA-N 1 0 229.367 3.868 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000094266097 386940583 /nfs/dbraw/zinc/94/05/83/386940583.db2.gz UMTYZPOYJNMMNE-JOZWUWCOSA-N 1 0 229.367 3.868 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CCCCC1(C)C ZINC000094273518 386941497 /nfs/dbraw/zinc/94/14/97/386941497.db2.gz CHPQIIRSHZGPSA-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000094273519 386940906 /nfs/dbraw/zinc/94/09/06/386940906.db2.gz CHPQIIRSHZGPSA-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCCC2(C)C)cc1 ZINC000094273776 256638715 /nfs/dbraw/zinc/63/87/15/256638715.db2.gz QGYPWPQQABGTKN-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)cc1 ZINC000094273777 386940517 /nfs/dbraw/zinc/94/05/17/386940517.db2.gz QGYPWPQQABGTKN-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccncc1 ZINC000094274496 384295340 /nfs/dbraw/zinc/29/53/40/384295340.db2.gz YDZXTNXOLJWSTB-GXTWGEPZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccncc1 ZINC000094274497 175912938 /nfs/dbraw/zinc/91/29/38/175912938.db2.gz YDZXTNXOLJWSTB-TZMCWYRMSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1ccncc1 ZINC000094274498 384294469 /nfs/dbraw/zinc/29/44/69/384294469.db2.gz YDZXTNXOLJWSTB-JSGCOSHPSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1ccncc1 ZINC000094274499 384294559 /nfs/dbraw/zinc/29/45/59/384294559.db2.gz YDZXTNXOLJWSTB-OCCSQVGLSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccccn1 ZINC000094274558 384295879 /nfs/dbraw/zinc/29/58/79/384295879.db2.gz FJKRWQDITDOJAR-GXTWGEPZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccccn1 ZINC000094274559 384295680 /nfs/dbraw/zinc/29/56/80/384295680.db2.gz FJKRWQDITDOJAR-TZMCWYRMSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1ccccn1 ZINC000094274560 384294366 /nfs/dbraw/zinc/29/43/66/384294366.db2.gz FJKRWQDITDOJAR-JSGCOSHPSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1ccccn1 ZINC000094274561 384296129 /nfs/dbraw/zinc/29/61/29/384296129.db2.gz FJKRWQDITDOJAR-OCCSQVGLSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1cccnc1 ZINC000094274660 384294404 /nfs/dbraw/zinc/29/44/04/384294404.db2.gz MEDDWHZRMQZAHT-GXTWGEPZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1cccnc1 ZINC000094274661 384295850 /nfs/dbraw/zinc/29/58/50/384295850.db2.gz MEDDWHZRMQZAHT-TZMCWYRMSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1cccnc1 ZINC000094274662 176919385 /nfs/dbraw/zinc/91/93/85/176919385.db2.gz MEDDWHZRMQZAHT-JSGCOSHPSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1cccnc1 ZINC000094274663 175924606 /nfs/dbraw/zinc/92/46/06/175924606.db2.gz MEDDWHZRMQZAHT-OCCSQVGLSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)COCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000094275034 384981969 /nfs/dbraw/zinc/98/19/69/384981969.db2.gz LNYMDHDSPMWPAP-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)COCCC[NH2+][C@H]1CCCCC1(C)C ZINC000094275035 384982106 /nfs/dbraw/zinc/98/21/06/384982106.db2.gz LNYMDHDSPMWPAP-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000094278249 386940970 /nfs/dbraw/zinc/94/09/70/386940970.db2.gz GONHOIRCRVWXMO-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000094278250 259451062 /nfs/dbraw/zinc/45/10/62/259451062.db2.gz GONHOIRCRVWXMO-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000094279596 384984435 /nfs/dbraw/zinc/98/44/35/384984435.db2.gz DSGDIAZLKPMFSI-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000094279597 384982677 /nfs/dbraw/zinc/98/26/77/384982677.db2.gz DSGDIAZLKPMFSI-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000094302984 386941259 /nfs/dbraw/zinc/94/12/59/386941259.db2.gz JTSVXOKXIRTYEX-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000094302985 386940485 /nfs/dbraw/zinc/94/04/85/386940485.db2.gz JTSVXOKXIRTYEX-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000094303054 386941386 /nfs/dbraw/zinc/94/13/86/386941386.db2.gz XHFDIQOOVFIUIQ-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000094303055 386940654 /nfs/dbraw/zinc/94/06/54/386940654.db2.gz XHFDIQOOVFIUIQ-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000094303386 259451058 /nfs/dbraw/zinc/45/10/58/259451058.db2.gz COHJDPQWWWSMPP-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000094303387 386941215 /nfs/dbraw/zinc/94/12/15/386941215.db2.gz COHJDPQWWWSMPP-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000094303388 386940885 /nfs/dbraw/zinc/94/08/85/386940885.db2.gz COHJDPQWWWSMPP-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000094303389 386941401 /nfs/dbraw/zinc/94/14/01/386941401.db2.gz COHJDPQWWWSMPP-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000094303413 259451218 /nfs/dbraw/zinc/45/12/18/259451218.db2.gz AXOINEXUPZJHJD-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000094303414 386941049 /nfs/dbraw/zinc/94/10/49/386941049.db2.gz AXOINEXUPZJHJD-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000094303529 259451500 /nfs/dbraw/zinc/45/15/00/259451500.db2.gz SFFKIXATZPRGQB-CABCVRRESA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000094303530 386940509 /nfs/dbraw/zinc/94/05/09/386940509.db2.gz SFFKIXATZPRGQB-HUUCEWRRSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000094303531 386940525 /nfs/dbraw/zinc/94/05/25/386940525.db2.gz SFFKIXATZPRGQB-GJZGRUSLSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000094303532 259451487 /nfs/dbraw/zinc/45/14/87/259451487.db2.gz SFFKIXATZPRGQB-LSDHHAIUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000094303583 259451469 /nfs/dbraw/zinc/45/14/69/259451469.db2.gz OUUAYXJFVYIUFU-DZGCQCFKSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000094303584 386941374 /nfs/dbraw/zinc/94/13/74/386941374.db2.gz OUUAYXJFVYIUFU-UKRRQHHQSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000094303585 259451467 /nfs/dbraw/zinc/45/14/67/259451467.db2.gz OUUAYXJFVYIUFU-ZFWWWQNUSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000094303586 259451520 /nfs/dbraw/zinc/45/15/20/259451520.db2.gz OUUAYXJFVYIUFU-HIFRSBDPSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCC1(C)C ZINC000094303650 322977196 /nfs/dbraw/zinc/97/71/96/322977196.db2.gz XAPWJNGYWHVCMQ-GXTWGEPZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC1(C)C ZINC000094303651 384976399 /nfs/dbraw/zinc/97/63/99/384976399.db2.gz XAPWJNGYWHVCMQ-TZMCWYRMSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCC1(C)C ZINC000094303652 322977215 /nfs/dbraw/zinc/97/72/15/322977215.db2.gz XAPWJNGYWHVCMQ-JSGCOSHPSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC1(C)C ZINC000094303653 384975491 /nfs/dbraw/zinc/97/54/91/384975491.db2.gz XAPWJNGYWHVCMQ-OCCSQVGLSA-N 1 0 235.371 3.769 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000094303800 135612748 /nfs/dbraw/zinc/61/27/48/135612748.db2.gz BCXXJDLMGFLGJF-OCCSQVGLSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000094303801 535309332 /nfs/dbraw/zinc/30/93/32/535309332.db2.gz BCXXJDLMGFLGJF-TZMCWYRMSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000094303802 135612298 /nfs/dbraw/zinc/61/22/98/135612298.db2.gz BCXXJDLMGFLGJF-JSGCOSHPSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000094303803 535309409 /nfs/dbraw/zinc/30/94/09/535309409.db2.gz BCXXJDLMGFLGJF-GXTWGEPZSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000094304104 384295967 /nfs/dbraw/zinc/29/59/67/384295967.db2.gz FFVLRSVIUHNHBH-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000094304105 386941462 /nfs/dbraw/zinc/94/14/62/386941462.db2.gz FFVLRSVIUHNHBH-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO C[NH+](C)Cc1cccc(N[C@H]2CCCC2(C)C)c1 ZINC000094305208 386940456 /nfs/dbraw/zinc/94/04/56/386940456.db2.gz SOJVLMCCJKLCCR-HNNXBMFYSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1cccc(N[C@@H]2CCCC2(C)C)c1 ZINC000094305209 386940779 /nfs/dbraw/zinc/94/07/79/386940779.db2.gz SOJVLMCCJKLCCR-OAHLLOKOSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1ccc(N[C@H]2CCCC2(C)C)cc1 ZINC000094307073 355646673 /nfs/dbraw/zinc/64/66/73/355646673.db2.gz MLLJKUREHPPDEQ-HNNXBMFYSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1ccc(N[C@@H]2CCCC2(C)C)cc1 ZINC000094307075 355646888 /nfs/dbraw/zinc/64/68/88/355646888.db2.gz MLLJKUREHPPDEQ-OAHLLOKOSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000094307101 355646809 /nfs/dbraw/zinc/64/68/09/355646809.db2.gz YQRQBPKYLUAAPP-SMDDNHRTSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000094307102 355646810 /nfs/dbraw/zinc/64/68/10/355646810.db2.gz YQRQBPKYLUAAPP-BXUZGUMPSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000094307104 386942504 /nfs/dbraw/zinc/94/25/04/386942504.db2.gz YQRQBPKYLUAAPP-FZMZJTMJSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000094307105 386943081 /nfs/dbraw/zinc/94/30/81/386943081.db2.gz YQRQBPKYLUAAPP-RISCZKNCSA-N 1 0 233.355 3.622 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCCC1(C)C ZINC000094307349 135612333 /nfs/dbraw/zinc/61/23/33/135612333.db2.gz RVXGJRBBYSHNCV-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000094307350 360303280 /nfs/dbraw/zinc/30/32/80/360303280.db2.gz RVXGJRBBYSHNCV-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094307375 386942893 /nfs/dbraw/zinc/94/28/93/386942893.db2.gz ABYHZBGWWHJVHF-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094307376 386942287 /nfs/dbraw/zinc/94/22/87/386942287.db2.gz ABYHZBGWWHJVHF-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094307377 262765691 /nfs/dbraw/zinc/76/56/91/262765691.db2.gz ABYHZBGWWHJVHF-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094307378 262765417 /nfs/dbraw/zinc/76/54/17/262765417.db2.gz ABYHZBGWWHJVHF-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000094308487 386942732 /nfs/dbraw/zinc/94/27/32/386942732.db2.gz COCVYXXKPJFJIO-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000094308488 386942869 /nfs/dbraw/zinc/94/28/69/386942869.db2.gz COCVYXXKPJFJIO-OAHLLOKOSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000094308933 635280124 /nfs/dbraw/zinc/28/01/24/635280124.db2.gz UOVFKQJUEDVUSR-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000094308934 635280254 /nfs/dbraw/zinc/28/02/54/635280254.db2.gz UOVFKQJUEDVUSR-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094309085 386942798 /nfs/dbraw/zinc/94/27/98/386942798.db2.gz ZIWKKGMJFFWGTG-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094309086 386943304 /nfs/dbraw/zinc/94/33/04/386943304.db2.gz ZIWKKGMJFFWGTG-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000094309087 386942204 /nfs/dbraw/zinc/94/22/04/386942204.db2.gz ZIWKKGMJFFWGTG-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000094309088 386942823 /nfs/dbraw/zinc/94/28/23/386942823.db2.gz ZIWKKGMJFFWGTG-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000094321318 386942920 /nfs/dbraw/zinc/94/29/20/386942920.db2.gz HFRPDSKZMDMVMS-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCCC1(C)C ZINC000094321319 386942393 /nfs/dbraw/zinc/94/23/93/386942393.db2.gz HFRPDSKZMDMVMS-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000094321703 541382589 /nfs/dbraw/zinc/38/25/89/541382589.db2.gz CDWGCXCFODPXLI-KGLIPLIRSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000094321704 541382606 /nfs/dbraw/zinc/38/26/06/541382606.db2.gz CDWGCXCFODPXLI-ZIAGYGMSSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000094321705 541382574 /nfs/dbraw/zinc/38/25/74/541382574.db2.gz CDWGCXCFODPXLI-KBPBESRZSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000094321706 541382584 /nfs/dbraw/zinc/38/25/84/541382584.db2.gz CDWGCXCFODPXLI-UONOGXRCSA-N 1 0 244.382 3.627 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC2(C)C)cc(C)c1O ZINC000094321997 262765727 /nfs/dbraw/zinc/76/57/27/262765727.db2.gz DNEZALSBJRSNFQ-CQSZACIVSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC2(C)C)cc(C)c1O ZINC000094321998 386943291 /nfs/dbraw/zinc/94/32/91/386943291.db2.gz DNEZALSBJRSNFQ-AWEZNQCLSA-N 1 0 247.382 3.677 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CCCCC2(C)C)CCO1 ZINC000094323185 384975219 /nfs/dbraw/zinc/97/52/19/384975219.db2.gz WPGFOJUDVZVECJ-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CCCCC2(C)C)CCO1 ZINC000094323186 322977231 /nfs/dbraw/zinc/97/72/31/322977231.db2.gz WPGFOJUDVZVECJ-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@H]2CCCCC2(C)C)CCO1 ZINC000094323187 322977060 /nfs/dbraw/zinc/97/70/60/322977060.db2.gz WPGFOJUDVZVECJ-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)CCO1 ZINC000094323188 384977519 /nfs/dbraw/zinc/97/75/19/384977519.db2.gz WPGFOJUDVZVECJ-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)CCO1 ZINC000094323191 343156195 /nfs/dbraw/zinc/15/61/95/343156195.db2.gz DUMXUVSRHPWVBS-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)CCO1 ZINC000094323193 343156051 /nfs/dbraw/zinc/15/60/51/343156051.db2.gz DUMXUVSRHPWVBS-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000094323517 535105280 /nfs/dbraw/zinc/10/52/80/535105280.db2.gz FKOQLJHADVHEJK-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@H]1CCCCC1(C)C ZINC000094323518 360303698 /nfs/dbraw/zinc/30/36/98/360303698.db2.gz FKOQLJHADVHEJK-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)cn1 ZINC000094324056 360303855 /nfs/dbraw/zinc/30/38/55/360303855.db2.gz MFRMJLJKPCIILO-TZMCWYRMSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCCCC2(C)C)cn1 ZINC000094324057 360304127 /nfs/dbraw/zinc/30/41/27/360304127.db2.gz MFRMJLJKPCIILO-GXTWGEPZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@H]2CCCCC2(C)C)cn1 ZINC000094324058 360304158 /nfs/dbraw/zinc/30/41/58/360304158.db2.gz MFRMJLJKPCIILO-OCCSQVGLSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCCCC2(C)C)cn1 ZINC000094324059 360304183 /nfs/dbraw/zinc/30/41/83/360304183.db2.gz MFRMJLJKPCIILO-JSGCOSHPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@H]2CCCCC2(C)C)n1 ZINC000094325496 343156217 /nfs/dbraw/zinc/15/62/17/343156217.db2.gz FRXFGLNXVYRJOO-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@H]2CCCCC2(C)C)n1 ZINC000094325497 343156250 /nfs/dbraw/zinc/15/62/50/343156250.db2.gz FRXFGLNXVYRJOO-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO c1ccc(C[NH2+]Cc2ccccc2C2CC2)cc1 ZINC000094357533 634609518 /nfs/dbraw/zinc/60/95/18/634609518.db2.gz YRKHWGGQVHRQEJ-UHFFFAOYSA-N 1 0 237.346 3.854 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C2CCCCC2)c1 ZINC000094357534 634609368 /nfs/dbraw/zinc/60/93/68/634609368.db2.gz GUSRDCSCAVOWHR-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO c1csc(C[NH2+]Cc2ccccc2C2CC2)c1 ZINC000094357563 634608806 /nfs/dbraw/zinc/60/88/06/634608806.db2.gz LTJIPQKDZDKZMM-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO c1cc(C[NH2+]Cc2ccccc2C2CC2)cs1 ZINC000094357701 537838286 /nfs/dbraw/zinc/83/82/86/537838286.db2.gz YBFGHWFEVWSFAE-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000094357807 537837804 /nfs/dbraw/zinc/83/78/04/537837804.db2.gz JLAOJCITOIWANS-UHFFFAOYSA-N 1 0 241.378 3.842 20 0 BHADRO CC1([NH2+]Cc2ccccc2C2CC2)CCCC1 ZINC000094357863 537837831 /nfs/dbraw/zinc/83/78/31/537837831.db2.gz JRNUGGBCNBMROH-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094357909 537838138 /nfs/dbraw/zinc/83/81/38/537838138.db2.gz DFCSDSINKAHYBS-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094357910 537838561 /nfs/dbraw/zinc/83/85/61/537838561.db2.gz DFCSDSINKAHYBS-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094357911 537838431 /nfs/dbraw/zinc/83/84/31/537838431.db2.gz DFCSDSINKAHYBS-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094357912 537838396 /nfs/dbraw/zinc/83/83/96/537838396.db2.gz DFCSDSINKAHYBS-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@H]2CC=CCC2)c1 ZINC000094357959 537837997 /nfs/dbraw/zinc/83/79/97/537837997.db2.gz WDTKCXFJOXTIOK-HNNXBMFYSA-N 1 0 227.351 3.762 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000094357960 537838366 /nfs/dbraw/zinc/83/83/66/537838366.db2.gz WDTKCXFJOXTIOK-OAHLLOKOSA-N 1 0 227.351 3.762 20 0 BHADRO FC(F)(F)CC[NH2+]Cc1ccccc1C1CC1 ZINC000094357986 537838832 /nfs/dbraw/zinc/83/88/32/537838832.db2.gz ROSZUNPQPABPAW-UHFFFAOYSA-N 1 0 243.272 3.606 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094364942 535081476 /nfs/dbraw/zinc/08/14/76/535081476.db2.gz HGTMSKZORLWKAY-CQSZACIVSA-N 1 0 239.403 3.647 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094364943 360304920 /nfs/dbraw/zinc/30/49/20/360304920.db2.gz HGTMSKZORLWKAY-AWEZNQCLSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094365098 631576683 /nfs/dbraw/zinc/57/66/83/631576683.db2.gz AGSPOGSLIMXAHH-CQSZACIVSA-N 1 0 239.403 3.648 20 0 BHADRO CCCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094365099 635313215 /nfs/dbraw/zinc/31/32/15/635313215.db2.gz AGSPOGSLIMXAHH-AWEZNQCLSA-N 1 0 239.403 3.648 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094365162 135612439 /nfs/dbraw/zinc/61/24/39/135612439.db2.gz VRVOMNMBWBILLO-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094365163 360305225 /nfs/dbraw/zinc/30/52/25/360305225.db2.gz VRVOMNMBWBILLO-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094365164 360305270 /nfs/dbraw/zinc/30/52/70/360305270.db2.gz VRVOMNMBWBILLO-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094365165 360305329 /nfs/dbraw/zinc/30/53/29/360305329.db2.gz VRVOMNMBWBILLO-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094365696 135613661 /nfs/dbraw/zinc/61/36/61/135613661.db2.gz DLOLPCPKGPSRKR-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094365697 360305283 /nfs/dbraw/zinc/30/52/83/360305283.db2.gz DLOLPCPKGPSRKR-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094367142 360305120 /nfs/dbraw/zinc/30/51/20/360305120.db2.gz WNDOOHWPEIKPOQ-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094367143 135613278 /nfs/dbraw/zinc/61/32/78/135613278.db2.gz WNDOOHWPEIKPOQ-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094367144 360305044 /nfs/dbraw/zinc/30/50/44/360305044.db2.gz WNDOOHWPEIKPOQ-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094367145 360305163 /nfs/dbraw/zinc/30/51/63/360305163.db2.gz WNDOOHWPEIKPOQ-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094367396 360305219 /nfs/dbraw/zinc/30/52/19/360305219.db2.gz LRYINWARNKMTNB-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094367397 360305036 /nfs/dbraw/zinc/30/50/36/360305036.db2.gz LRYINWARNKMTNB-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094367398 135613212 /nfs/dbraw/zinc/61/32/12/135613212.db2.gz LRYINWARNKMTNB-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094367399 360304938 /nfs/dbraw/zinc/30/49/38/360304938.db2.gz LRYINWARNKMTNB-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094368886 135613110 /nfs/dbraw/zinc/61/31/10/135613110.db2.gz MCZQNZYYYGIUEB-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094368887 360306379 /nfs/dbraw/zinc/30/63/79/360306379.db2.gz MCZQNZYYYGIUEB-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094369004 360306052 /nfs/dbraw/zinc/30/60/52/360306052.db2.gz CEWBGLQYFFPCBX-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094369005 534614104 /nfs/dbraw/zinc/61/41/04/534614104.db2.gz CEWBGLQYFFPCBX-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094369377 360306162 /nfs/dbraw/zinc/30/61/62/360306162.db2.gz CBTJUUAXGADUHZ-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094369379 360306385 /nfs/dbraw/zinc/30/63/85/360306385.db2.gz CBTJUUAXGADUHZ-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094369424 631576674 /nfs/dbraw/zinc/57/66/74/631576674.db2.gz LLCDMKGZCPWGKY-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094369425 635314194 /nfs/dbraw/zinc/31/41/94/635314194.db2.gz LLCDMKGZCPWGKY-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369426 635315304 /nfs/dbraw/zinc/31/53/04/635315304.db2.gz LLCDMKGZCPWGKY-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369427 635316794 /nfs/dbraw/zinc/31/67/94/635316794.db2.gz LLCDMKGZCPWGKY-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)C ZINC000094369572 360306004 /nfs/dbraw/zinc/30/60/04/360306004.db2.gz JIMMSGHQOLFOGV-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)C ZINC000094369573 360306226 /nfs/dbraw/zinc/30/62/26/360306226.db2.gz JIMMSGHQOLFOGV-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)C ZINC000094369574 360306449 /nfs/dbraw/zinc/30/64/49/360306449.db2.gz JIMMSGHQOLFOGV-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)C ZINC000094369575 360306025 /nfs/dbraw/zinc/30/60/25/360306025.db2.gz JIMMSGHQOLFOGV-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371504 360306279 /nfs/dbraw/zinc/30/62/79/360306279.db2.gz OFNHPTQGSUUSKH-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371505 360306206 /nfs/dbraw/zinc/30/62/06/360306206.db2.gz OFNHPTQGSUUSKH-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371506 360306352 /nfs/dbraw/zinc/30/63/52/360306352.db2.gz OFNHPTQGSUUSKH-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371507 360306407 /nfs/dbraw/zinc/30/64/07/360306407.db2.gz OFNHPTQGSUUSKH-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371596 135613399 /nfs/dbraw/zinc/61/33/99/135613399.db2.gz ALYVDKAEMYPZSB-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371597 360306369 /nfs/dbraw/zinc/30/63/69/360306369.db2.gz ALYVDKAEMYPZSB-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371598 135613687 /nfs/dbraw/zinc/61/36/87/135613687.db2.gz ALYVDKAEMYPZSB-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371599 360306295 /nfs/dbraw/zinc/30/62/95/360306295.db2.gz ALYVDKAEMYPZSB-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCOC3(CCC3)C2)CCCC1 ZINC000094371754 384299198 /nfs/dbraw/zinc/29/91/98/384299198.db2.gz LFUJJKWPAJTOCT-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCOC3(CCC3)C2)CCCC1 ZINC000094371755 259451766 /nfs/dbraw/zinc/45/17/66/259451766.db2.gz LFUJJKWPAJTOCT-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094372136 360306181 /nfs/dbraw/zinc/30/61/81/360306181.db2.gz PBBLWXQYYUDWFO-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094372137 360305921 /nfs/dbraw/zinc/30/59/21/360305921.db2.gz PBBLWXQYYUDWFO-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094372138 360306337 /nfs/dbraw/zinc/30/63/37/360306337.db2.gz PBBLWXQYYUDWFO-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094372139 360306455 /nfs/dbraw/zinc/30/64/55/360306455.db2.gz PBBLWXQYYUDWFO-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094373069 360305928 /nfs/dbraw/zinc/30/59/28/360305928.db2.gz HBXVNERMTUKSCT-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094373070 135613053 /nfs/dbraw/zinc/61/30/53/135613053.db2.gz HBXVNERMTUKSCT-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094373071 135612999 /nfs/dbraw/zinc/61/29/99/135612999.db2.gz HBXVNERMTUKSCT-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094373072 360306001 /nfs/dbraw/zinc/30/60/01/360306001.db2.gz HBXVNERMTUKSCT-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094373241 711752531 /nfs/dbraw/zinc/75/25/31/711752531.db2.gz GTXLSRCUVZOYQT-CQSZACIVSA-N 1 0 239.403 3.648 20 0 BHADRO CCCCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094373242 711752766 /nfs/dbraw/zinc/75/27/66/711752766.db2.gz GTXLSRCUVZOYQT-AWEZNQCLSA-N 1 0 239.403 3.648 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094374331 360306331 /nfs/dbraw/zinc/30/63/31/360306331.db2.gz QFWGMOCPSWKLTN-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094374333 360306416 /nfs/dbraw/zinc/30/64/16/360306416.db2.gz QFWGMOCPSWKLTN-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO C1=CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094374472 631577085 /nfs/dbraw/zinc/57/70/85/631577085.db2.gz UFJKDDPTUCWRLL-LSDHHAIUSA-N 1 0 249.398 3.567 20 0 BHADRO C1=CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094374473 631576520 /nfs/dbraw/zinc/57/65/20/631576520.db2.gz UFJKDDPTUCWRLL-GJZGRUSLSA-N 1 0 249.398 3.567 20 0 BHADRO C1=CC[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094374474 635319654 /nfs/dbraw/zinc/31/96/54/635319654.db2.gz UFJKDDPTUCWRLL-HUUCEWRRSA-N 1 0 249.398 3.567 20 0 BHADRO C1=CC[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094374475 635321485 /nfs/dbraw/zinc/32/14/85/635321485.db2.gz UFJKDDPTUCWRLL-CABCVRRESA-N 1 0 249.398 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422252 256638813 /nfs/dbraw/zinc/63/88/13/256638813.db2.gz LPBFMCBFUZRWDV-GXTWGEPZSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422253 386948970 /nfs/dbraw/zinc/94/89/70/386948970.db2.gz LPBFMCBFUZRWDV-TZMCWYRMSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422254 386948996 /nfs/dbraw/zinc/94/89/96/386948996.db2.gz LPBFMCBFUZRWDV-JSGCOSHPSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422255 386947887 /nfs/dbraw/zinc/94/78/87/386947887.db2.gz LPBFMCBFUZRWDV-OCCSQVGLSA-N 1 0 247.382 3.683 20 0 BHADRO CC1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422439 360307424 /nfs/dbraw/zinc/30/74/24/360307424.db2.gz WCNRVGRBKHLULL-WXRRBKDZSA-N 1 0 239.403 3.501 20 0 BHADRO CC1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422440 135613633 /nfs/dbraw/zinc/61/36/33/135613633.db2.gz WCNRVGRBKHLULL-BPCQOVAHSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422475 256638807 /nfs/dbraw/zinc/63/88/07/256638807.db2.gz SESCPQXEMGVFSY-FRRDWIJNSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422477 256638870 /nfs/dbraw/zinc/63/88/70/256638870.db2.gz SESCPQXEMGVFSY-JHJVBQTASA-N 1 0 239.403 3.501 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CCCCCC2)C(C)(C)O1 ZINC000094422629 256638800 /nfs/dbraw/zinc/63/88/00/256638800.db2.gz SLOJVIMHQIFAEM-ZDUSSCGKSA-N 1 0 239.403 3.645 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CCCCCC2)C(C)(C)O1 ZINC000094422630 386950666 /nfs/dbraw/zinc/95/06/66/386950666.db2.gz SLOJVIMHQIFAEM-CYBMUJFWSA-N 1 0 239.403 3.645 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422637 386950561 /nfs/dbraw/zinc/95/05/61/386950561.db2.gz UGNFWFDQLDASMD-CHWSQXEVSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422638 386950134 /nfs/dbraw/zinc/95/01/34/386950134.db2.gz UGNFWFDQLDASMD-QWHCGFSZSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094422639 386949651 /nfs/dbraw/zinc/94/96/51/386949651.db2.gz UGNFWFDQLDASMD-OLZOCXBDSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094422640 386949687 /nfs/dbraw/zinc/94/96/87/386949687.db2.gz UGNFWFDQLDASMD-STQMWFEESA-N 1 0 241.419 3.747 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094422953 386950253 /nfs/dbraw/zinc/95/02/53/386950253.db2.gz ZYYKDZCWICBTKJ-FRRDWIJNSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094422955 256638860 /nfs/dbraw/zinc/63/88/60/256638860.db2.gz ZYYKDZCWICBTKJ-JHJVBQTASA-N 1 0 239.403 3.501 20 0 BHADRO CC1(C)C[C@H]([NH2+]CC2CCCCC2)C(C)(C)O1 ZINC000094422957 386950831 /nfs/dbraw/zinc/95/08/31/386950831.db2.gz PIPGLGUDMQXXBM-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)O1 ZINC000094422958 386950185 /nfs/dbraw/zinc/95/01/85/386950185.db2.gz PIPGLGUDMQXXBM-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCC2CCCC2)C(C)(C)O1 ZINC000094423833 386950734 /nfs/dbraw/zinc/95/07/34/386950734.db2.gz ISPRIVKMRHICLG-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)O1 ZINC000094423834 386949712 /nfs/dbraw/zinc/94/97/12/386949712.db2.gz ISPRIVKMRHICLG-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CCCC1 ZINC000094424446 386949723 /nfs/dbraw/zinc/94/97/23/386949723.db2.gz ONCQQFYEZNWBBJ-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CCCC1 ZINC000094424447 386950823 /nfs/dbraw/zinc/95/08/23/386950823.db2.gz ONCQQFYEZNWBBJ-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CCCC1 ZINC000094424478 256638956 /nfs/dbraw/zinc/63/89/56/256638956.db2.gz GHOFAIJLDPGTQJ-WCQYABFASA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CCCC1 ZINC000094424479 386950347 /nfs/dbraw/zinc/95/03/47/386950347.db2.gz GHOFAIJLDPGTQJ-DGCLKSJQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C1CCCC1 ZINC000094424480 386950247 /nfs/dbraw/zinc/95/02/47/386950247.db2.gz GHOFAIJLDPGTQJ-AAEUAGOBSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C1CCCC1 ZINC000094424481 256638962 /nfs/dbraw/zinc/63/89/62/256638962.db2.gz GHOFAIJLDPGTQJ-YPMHNXCESA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)CS1 ZINC000094470914 360308291 /nfs/dbraw/zinc/30/82/91/360308291.db2.gz JTKVMYVVLHMCAG-OSAQELSMSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CS1 ZINC000094470916 360309077 /nfs/dbraw/zinc/30/90/77/360309077.db2.gz JTKVMYVVLHMCAG-UXIGCNINSA-N 1 0 247.407 3.548 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000094471478 386949861 /nfs/dbraw/zinc/94/98/61/386949861.db2.gz PCSDUQWTJXWDRC-VHDGCEQUSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000094471480 386950771 /nfs/dbraw/zinc/95/07/71/386950771.db2.gz PCSDUQWTJXWDRC-BPLDGKMQSA-N 1 0 249.423 3.867 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CS1 ZINC000094472054 386950167 /nfs/dbraw/zinc/95/01/67/386950167.db2.gz HZLDNRIAKQORAA-UGFHNGPFSA-N 1 0 247.407 3.621 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)CS1 ZINC000094472056 386950779 /nfs/dbraw/zinc/95/07/79/386950779.db2.gz HZLDNRIAKQORAA-DFBGVHRSSA-N 1 0 247.407 3.621 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000094472243 386950800 /nfs/dbraw/zinc/95/08/00/386950800.db2.gz CWUQCZFOCYQKJU-MELADBBJSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000094472245 386949820 /nfs/dbraw/zinc/94/98/20/386949820.db2.gz CWUQCZFOCYQKJU-IHRRRGAJSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c(C)c1 ZINC000094472727 386950238 /nfs/dbraw/zinc/95/02/38/386950238.db2.gz XMVDIONYKHTJBV-MELADBBJSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c(C)c1 ZINC000094472729 256638893 /nfs/dbraw/zinc/63/88/93/256638893.db2.gz XMVDIONYKHTJBV-IHRRRGAJSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000094473134 386950431 /nfs/dbraw/zinc/95/04/31/386950431.db2.gz FHBQXEWEWRWGJR-NFAWXSAZSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000094473136 386950776 /nfs/dbraw/zinc/95/07/76/386950776.db2.gz FHBQXEWEWRWGJR-UMVBOHGHSA-N 1 0 249.423 3.664 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C1CCCCC1 ZINC000094517586 398301105 /nfs/dbraw/zinc/30/11/05/398301105.db2.gz FPWGLTZEIVDPRT-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO c1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000094517597 350586891 /nfs/dbraw/zinc/58/68/91/350586891.db2.gz ZOBWJYXACSXFDY-UHFFFAOYSA-N 1 0 237.346 3.854 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000094517598 135613995 /nfs/dbraw/zinc/61/39/95/135613995.db2.gz UJZDQIUYWQJIBP-UHFFFAOYSA-N 1 0 237.346 3.854 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000094518048 398301138 /nfs/dbraw/zinc/30/11/38/398301138.db2.gz DEFWHOHQTBMHAZ-UHFFFAOYSA-N 1 0 241.378 3.842 20 0 BHADRO c1csc(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000094518089 360310379 /nfs/dbraw/zinc/31/03/79/360310379.db2.gz MKYNVELRHQSUIV-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO c1csc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000094518090 360310016 /nfs/dbraw/zinc/31/00/16/360310016.db2.gz MFNYZPXVBIFRHQ-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C3CC3)c2)o1 ZINC000094519693 487537787 /nfs/dbraw/zinc/53/77/87/487537787.db2.gz ULFAGMIWJYZAIM-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)o1 ZINC000094519694 360311173 /nfs/dbraw/zinc/31/11/73/360311173.db2.gz FKXIODYPBWZFHL-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccccc2C2CC2)o1 ZINC000094519695 487538542 /nfs/dbraw/zinc/53/85/42/487538542.db2.gz SMQPEMHEDSLXON-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO FC(F)(F)CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519820 360312035 /nfs/dbraw/zinc/31/20/35/360312035.db2.gz DTOVOCMWQJVWGV-UHFFFAOYSA-N 1 0 243.272 3.606 20 0 BHADRO FC(F)(F)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519821 360311752 /nfs/dbraw/zinc/31/17/52/360311752.db2.gz KUAWEBPMJKYAQA-UHFFFAOYSA-N 1 0 243.272 3.606 20 0 BHADRO c1cc(C[NH2+]Cc2cccc(C3CC3)c2)cs1 ZINC000094519829 360311849 /nfs/dbraw/zinc/31/18/49/360311849.db2.gz RTJRYMVIKUZMRD-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO c1cc(C[NH2+]Cc2ccc(C3CC3)cc2)cs1 ZINC000094519830 360311792 /nfs/dbraw/zinc/31/17/92/360311792.db2.gz HTCMUHZNGQOAKY-UHFFFAOYSA-N 1 0 243.375 3.915 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519839 360311873 /nfs/dbraw/zinc/31/18/73/360311873.db2.gz MTBWSSACGFXISD-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519840 360311490 /nfs/dbraw/zinc/31/14/90/360311490.db2.gz MTBWSSACGFXISD-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519841 360311466 /nfs/dbraw/zinc/31/14/66/360311466.db2.gz MTBWSSACGFXISD-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519842 360311230 /nfs/dbraw/zinc/31/12/30/360311230.db2.gz MTBWSSACGFXISD-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519919 360311916 /nfs/dbraw/zinc/31/19/16/360311916.db2.gz ZSGNVLFXOAWDSW-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519920 541315545 /nfs/dbraw/zinc/31/55/45/541315545.db2.gz ZSGNVLFXOAWDSW-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO c1cc(C[NH2+][C@H]2CC=CCC2)cc(C2CC2)c1 ZINC000094520227 360311262 /nfs/dbraw/zinc/31/12/62/360311262.db2.gz KSJNSOMIKZKLTL-INIZCTEOSA-N 1 0 227.351 3.762 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC=CCC2)cc(C2CC2)c1 ZINC000094520228 360311762 /nfs/dbraw/zinc/31/17/62/360311762.db2.gz KSJNSOMIKZKLTL-MRXNPFEDSA-N 1 0 227.351 3.762 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000094520229 360311863 /nfs/dbraw/zinc/31/18/63/360311863.db2.gz UZDKMUZAEJPUPC-INIZCTEOSA-N 1 0 227.351 3.762 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000094520230 135615503 /nfs/dbraw/zinc/61/55/03/135615503.db2.gz UZDKMUZAEJPUPC-MRXNPFEDSA-N 1 0 227.351 3.762 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@]1(C)CCCO1 ZINC000094797127 386958318 /nfs/dbraw/zinc/95/83/18/386958318.db2.gz OBDDSSLYPNDMFZ-HNNXBMFYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@@]1(C)CCCO1 ZINC000094797128 386957850 /nfs/dbraw/zinc/95/78/50/386957850.db2.gz OBDDSSLYPNDMFZ-OAHLLOKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1C ZINC000094797314 386957751 /nfs/dbraw/zinc/95/77/51/386957751.db2.gz HTPCPYZFNZAYFZ-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1C ZINC000094797315 256639458 /nfs/dbraw/zinc/63/94/58/256639458.db2.gz HTPCPYZFNZAYFZ-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1C ZINC000094797316 386958838 /nfs/dbraw/zinc/95/88/38/386958838.db2.gz HTPCPYZFNZAYFZ-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1C ZINC000094797317 256639510 /nfs/dbraw/zinc/63/95/10/256639510.db2.gz HTPCPYZFNZAYFZ-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c(C)c1 ZINC000094797518 256639508 /nfs/dbraw/zinc/63/95/08/256639508.db2.gz MKQYGBROHJUDBD-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)c(C)c1 ZINC000094797519 386958905 /nfs/dbraw/zinc/95/89/05/386958905.db2.gz MKQYGBROHJUDBD-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c(C)c1 ZINC000094797520 386958600 /nfs/dbraw/zinc/95/86/00/386958600.db2.gz MKQYGBROHJUDBD-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c(C)c1 ZINC000094797521 256639578 /nfs/dbraw/zinc/63/95/78/256639578.db2.gz MKQYGBROHJUDBD-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(C)cc1 ZINC000094797620 360318325 /nfs/dbraw/zinc/31/83/25/360318325.db2.gz GPIVRCSOLLFATE-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(C)cc1 ZINC000094797621 360318627 /nfs/dbraw/zinc/31/86/27/360318627.db2.gz GPIVRCSOLLFATE-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C)cc1 ZINC000094797622 135618033 /nfs/dbraw/zinc/61/80/33/135618033.db2.gz GPIVRCSOLLFATE-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C)cc1 ZINC000094797623 360318320 /nfs/dbraw/zinc/31/83/20/360318320.db2.gz GPIVRCSOLLFATE-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccccc1 ZINC000094797928 360318223 /nfs/dbraw/zinc/31/82/23/360318223.db2.gz WQHXUDUSVHOKGZ-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccccc1 ZINC000094797929 360317930 /nfs/dbraw/zinc/31/79/30/360317930.db2.gz WQHXUDUSVHOKGZ-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccccc1 ZINC000094797930 135617934 /nfs/dbraw/zinc/61/79/34/135617934.db2.gz WQHXUDUSVHOKGZ-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccccc1 ZINC000094797931 360318071 /nfs/dbraw/zinc/31/80/71/360318071.db2.gz WQHXUDUSVHOKGZ-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccccc1 ZINC000094798232 386958162 /nfs/dbraw/zinc/95/81/62/386958162.db2.gz SQVNLPXMWLJJMH-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccccc1 ZINC000094798233 386958331 /nfs/dbraw/zinc/95/83/31/386958331.db2.gz SQVNLPXMWLJJMH-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccccc1 ZINC000094798234 386957891 /nfs/dbraw/zinc/95/78/91/386957891.db2.gz SQVNLPXMWLJJMH-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccccc1 ZINC000094798235 386957911 /nfs/dbraw/zinc/95/79/11/386957911.db2.gz SQVNLPXMWLJJMH-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c1 ZINC000094798260 256639506 /nfs/dbraw/zinc/63/95/06/256639506.db2.gz BENFMPOXUPTWPA-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(C)CCCO2)c1 ZINC000094798261 386957821 /nfs/dbraw/zinc/95/78/21/386957821.db2.gz BENFMPOXUPTWPA-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000094798262 386958131 /nfs/dbraw/zinc/95/81/31/386958131.db2.gz BENFMPOXUPTWPA-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000094798263 386958773 /nfs/dbraw/zinc/95/87/73/386958773.db2.gz BENFMPOXUPTWPA-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CCCC1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000094798391 386958281 /nfs/dbraw/zinc/95/82/81/386958281.db2.gz GHZOCGCSWQNVKN-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000094798392 386958322 /nfs/dbraw/zinc/95/83/22/386958322.db2.gz GHZOCGCSWQNVKN-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCCC(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000094815300 644729216 /nfs/dbraw/zinc/72/92/16/644729216.db2.gz FCODTUFMAUBWLE-UHFFFAOYSA-N 1 0 241.423 3.505 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cc(F)cc(F)c1 ZINC000094820321 386959460 /nfs/dbraw/zinc/95/94/60/386959460.db2.gz PDRWOWKZSNGOMZ-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cc(F)cc(F)c1 ZINC000094820322 386960544 /nfs/dbraw/zinc/96/05/44/386960544.db2.gz PDRWOWKZSNGOMZ-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000094825903 386961246 /nfs/dbraw/zinc/96/12/46/386961246.db2.gz IHTBWLYTGUUOKE-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000094825904 386962274 /nfs/dbraw/zinc/96/22/74/386962274.db2.gz IHTBWLYTGUUOKE-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1cc(F)cc(F)c1 ZINC000094826417 256639664 /nfs/dbraw/zinc/63/96/64/256639664.db2.gz LYNGAJRBHBYKDI-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1cc(F)cc(F)c1 ZINC000094826418 256639466 /nfs/dbraw/zinc/63/94/66/256639466.db2.gz LYNGAJRBHBYKDI-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000094827521 256639369 /nfs/dbraw/zinc/63/93/69/256639369.db2.gz RJXSVZJXSPLGNW-BFVZDQMLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094827522 386962369 /nfs/dbraw/zinc/96/23/69/386962369.db2.gz RJXSVZJXSPLGNW-BHDSKKPTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000094827523 386962461 /nfs/dbraw/zinc/96/24/61/386962461.db2.gz RJXSVZJXSPLGNW-ISTVAULSSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094827524 256639571 /nfs/dbraw/zinc/63/95/71/256639571.db2.gz RJXSVZJXSPLGNW-PKFCDNJMSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094827587 256639640 /nfs/dbraw/zinc/63/96/40/256639640.db2.gz PNTOCQAPKYCJLU-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094827588 386961355 /nfs/dbraw/zinc/96/13/55/386961355.db2.gz PNTOCQAPKYCJLU-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cc(F)cc(F)c1 ZINC000094827589 256640261 /nfs/dbraw/zinc/64/02/61/256640261.db2.gz PNTOCQAPKYCJLU-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094827590 386962597 /nfs/dbraw/zinc/96/25/97/386962597.db2.gz PNTOCQAPKYCJLU-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094827663 384318053 /nfs/dbraw/zinc/31/80/53/384318053.db2.gz INJDADVSZHISTP-QWRGUYRKSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094827664 256640246 /nfs/dbraw/zinc/64/02/46/256640246.db2.gz INJDADVSZHISTP-MNOVXSKESA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094827665 386962428 /nfs/dbraw/zinc/96/24/28/386962428.db2.gz INJDADVSZHISTP-WDEREUQCSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094827666 386962496 /nfs/dbraw/zinc/96/24/96/386962496.db2.gz INJDADVSZHISTP-GHMZBOCLSA-N 1 0 241.325 3.908 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(F)cc(F)c1 ZINC000094827766 386962398 /nfs/dbraw/zinc/96/23/98/386962398.db2.gz MVHAUTSEKNHNSU-HZMBPMFUSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(F)cc(F)c1 ZINC000094827767 386961211 /nfs/dbraw/zinc/96/12/11/386961211.db2.gz MVHAUTSEKNHNSU-YGRLFVJLSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)cc(F)c1 ZINC000094827768 386961595 /nfs/dbraw/zinc/96/15/95/386961595.db2.gz MVHAUTSEKNHNSU-IINYFYTJSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)cc(F)c1 ZINC000094827769 386962504 /nfs/dbraw/zinc/96/25/04/386962504.db2.gz MVHAUTSEKNHNSU-QMTHXVAHSA-N 1 0 237.293 3.724 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1F ZINC000094837969 386962560 /nfs/dbraw/zinc/96/25/60/386962560.db2.gz GICJKXMSMHPZLK-SECBINFHSA-N 1 0 249.251 3.737 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1F ZINC000094837970 386961702 /nfs/dbraw/zinc/96/17/02/386961702.db2.gz GICJKXMSMHPZLK-VIFPVBQESA-N 1 0 249.251 3.737 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1F ZINC000094837982 256640294 /nfs/dbraw/zinc/64/02/94/256640294.db2.gz QNNRGNOBZMMJAS-SLEUVZQESA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1F ZINC000094837984 386961849 /nfs/dbraw/zinc/96/18/49/386961849.db2.gz QNNRGNOBZMMJAS-HUBLWGQQSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cc1F ZINC000094838041 386962627 /nfs/dbraw/zinc/96/26/27/386962627.db2.gz JQAAYGRGWIZHAZ-NWDGAFQWSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)cc1F ZINC000094838042 386962551 /nfs/dbraw/zinc/96/25/51/386962551.db2.gz JQAAYGRGWIZHAZ-RYUDHWBXSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)cc1F ZINC000094838043 386962566 /nfs/dbraw/zinc/96/25/66/386962566.db2.gz JQAAYGRGWIZHAZ-VXGBXAGGSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)cc1F ZINC000094838044 386962491 /nfs/dbraw/zinc/96/24/91/386962491.db2.gz JQAAYGRGWIZHAZ-NEPJUHHUSA-N 1 0 235.346 3.973 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(N)c1)C1CCCC1 ZINC000094845909 353522568 /nfs/dbraw/zinc/52/25/68/353522568.db2.gz KREHTHZOSREQKH-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO C[N@H+](Cc1cccc(N)c1)C1CCC(C)(C)CC1 ZINC000094857412 632670558 /nfs/dbraw/zinc/67/05/58/632670558.db2.gz GNLVSFQXXYOWSO-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094867538 583171197 /nfs/dbraw/zinc/17/11/97/583171197.db2.gz CMQZORQOCPVEQJ-RYUDHWBXSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094867539 583171166 /nfs/dbraw/zinc/17/11/66/583171166.db2.gz CMQZORQOCPVEQJ-NEPJUHHUSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094867540 583171356 /nfs/dbraw/zinc/17/13/56/583171356.db2.gz CMQZORQOCPVEQJ-NWDGAFQWSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094867541 583171353 /nfs/dbraw/zinc/17/13/53/583171353.db2.gz CMQZORQOCPVEQJ-VXGBXAGGSA-N 1 0 245.322 3.700 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccoc1 ZINC000094867558 388874945 /nfs/dbraw/zinc/87/49/45/388874945.db2.gz FZQOWDGRFQCMRG-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccoc1 ZINC000094867559 388874346 /nfs/dbraw/zinc/87/43/46/388874346.db2.gz FZQOWDGRFQCMRG-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1)c1ccoc1 ZINC000094867560 325789857 /nfs/dbraw/zinc/78/98/57/325789857.db2.gz BQNGQJHZOPHXFR-ZDUSSCGKSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccoc1 ZINC000094867561 325789964 /nfs/dbraw/zinc/78/99/64/325789964.db2.gz BQNGQJHZOPHXFR-CYBMUJFWSA-N 1 0 229.323 3.563 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094867590 487559894 /nfs/dbraw/zinc/55/98/94/487559894.db2.gz WCKAOAJFEGGBAI-QWHCGFSZSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094867591 583171216 /nfs/dbraw/zinc/17/12/16/583171216.db2.gz WCKAOAJFEGGBAI-STQMWFEESA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094867592 487560086 /nfs/dbraw/zinc/56/00/86/487560086.db2.gz WCKAOAJFEGGBAI-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094867593 583171327 /nfs/dbraw/zinc/17/13/27/583171327.db2.gz WCKAOAJFEGGBAI-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccoc1 ZINC000094867618 487559770 /nfs/dbraw/zinc/55/97/70/487559770.db2.gz LXRVLOVJAQLFTB-XHDPSFHLSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccoc1 ZINC000094867619 487559918 /nfs/dbraw/zinc/55/99/18/487559918.db2.gz LXRVLOVJAQLFTB-IAQYHMDHSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccoc1 ZINC000094867620 583170943 /nfs/dbraw/zinc/17/09/43/583170943.db2.gz LXRVLOVJAQLFTB-NHYWBVRUSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccoc1 ZINC000094867621 583171204 /nfs/dbraw/zinc/17/12/04/583171204.db2.gz LXRVLOVJAQLFTB-ABAIWWIYSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000094867648 388874449 /nfs/dbraw/zinc/87/44/49/388874449.db2.gz FWCIEKVAPIIYOI-STQMWFEESA-N 1 0 229.323 3.734 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000094867649 388874206 /nfs/dbraw/zinc/87/42/06/388874206.db2.gz FWCIEKVAPIIYOI-OLZOCXBDSA-N 1 0 229.323 3.734 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000094867650 388874148 /nfs/dbraw/zinc/87/41/48/388874148.db2.gz FWCIEKVAPIIYOI-QWHCGFSZSA-N 1 0 229.323 3.734 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccoc1 ZINC000094867651 325790360 /nfs/dbraw/zinc/79/03/60/325790360.db2.gz FWCIEKVAPIIYOI-CHWSQXEVSA-N 1 0 229.323 3.734 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccoc1 ZINC000094867656 388874085 /nfs/dbraw/zinc/87/40/85/388874085.db2.gz DIQPERZUDHKIFN-KBPBESRZSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccoc1 ZINC000094867657 388874177 /nfs/dbraw/zinc/87/41/77/388874177.db2.gz DIQPERZUDHKIFN-KGLIPLIRSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccoc1 ZINC000094867658 325790411 /nfs/dbraw/zinc/79/04/11/325790411.db2.gz DIQPERZUDHKIFN-UONOGXRCSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccoc1 ZINC000094867659 388874157 /nfs/dbraw/zinc/87/41/57/388874157.db2.gz DIQPERZUDHKIFN-ZIAGYGMSSA-N 1 0 243.350 3.952 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccoc1 ZINC000094867676 388874577 /nfs/dbraw/zinc/87/45/77/388874577.db2.gz WUTIODYYVFLTAZ-RYUDHWBXSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccoc1 ZINC000094867677 388874514 /nfs/dbraw/zinc/87/45/14/388874514.db2.gz WUTIODYYVFLTAZ-NEPJUHHUSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccoc1 ZINC000094867678 388874133 /nfs/dbraw/zinc/87/41/33/388874133.db2.gz WUTIODYYVFLTAZ-NWDGAFQWSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccoc1 ZINC000094867679 325790233 /nfs/dbraw/zinc/79/02/33/325790233.db2.gz WUTIODYYVFLTAZ-VXGBXAGGSA-N 1 0 233.311 3.545 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccoc1 ZINC000094867762 360324270 /nfs/dbraw/zinc/32/42/70/360324270.db2.gz ZVCKZLPTPMGTOF-GXFFZTMASA-N 1 0 231.295 3.601 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccoc1 ZINC000094867763 360323749 /nfs/dbraw/zinc/32/37/49/360323749.db2.gz ZVCKZLPTPMGTOF-ZWNOBZJWSA-N 1 0 231.295 3.601 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccoc1 ZINC000094867764 360323889 /nfs/dbraw/zinc/32/38/89/360323889.db2.gz ZVCKZLPTPMGTOF-GWCFXTLKSA-N 1 0 231.295 3.601 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccoc1 ZINC000094867765 360324155 /nfs/dbraw/zinc/32/41/55/360324155.db2.gz ZVCKZLPTPMGTOF-MFKMUULPSA-N 1 0 231.295 3.601 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000094868880 322977576 /nfs/dbraw/zinc/97/75/76/322977576.db2.gz HSQGHOAYWOIMNL-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000094868881 384990010 /nfs/dbraw/zinc/99/00/10/384990010.db2.gz HSQGHOAYWOIMNL-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000094868916 388874108 /nfs/dbraw/zinc/87/41/08/388874108.db2.gz IRBUCZRBDLHSOB-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000094868917 325790668 /nfs/dbraw/zinc/79/06/68/325790668.db2.gz IRBUCZRBDLHSOB-STQMWFEESA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)cc1 ZINC000094868918 325790576 /nfs/dbraw/zinc/79/05/76/325790576.db2.gz IRBUCZRBDLHSOB-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccoc2)cc1 ZINC000094868919 325790615 /nfs/dbraw/zinc/79/06/15/325790615.db2.gz IRBUCZRBDLHSOB-QWHCGFSZSA-N 1 0 229.323 4.000 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccoc2)c1 ZINC000094868920 325791159 /nfs/dbraw/zinc/79/11/59/325791159.db2.gz UULIILNJNCUUEK-RYUDHWBXSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)c1 ZINC000094868921 388874261 /nfs/dbraw/zinc/87/42/61/388874261.db2.gz UULIILNJNCUUEK-NEPJUHHUSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccoc2)c1 ZINC000094868922 325791000 /nfs/dbraw/zinc/79/10/00/325791000.db2.gz UULIILNJNCUUEK-NWDGAFQWSA-N 1 0 245.322 3.700 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)c1 ZINC000094868923 388874915 /nfs/dbraw/zinc/87/49/15/388874915.db2.gz UULIILNJNCUUEK-VXGBXAGGSA-N 1 0 245.322 3.700 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094868976 388874972 /nfs/dbraw/zinc/87/49/72/388874972.db2.gz QEAYAPRJKKLFGO-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000094868977 388874654 /nfs/dbraw/zinc/87/46/54/388874654.db2.gz QEAYAPRJKKLFGO-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094868978 325790730 /nfs/dbraw/zinc/79/07/30/325790730.db2.gz QEAYAPRJKKLFGO-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000094868979 388874061 /nfs/dbraw/zinc/87/40/61/388874061.db2.gz QEAYAPRJKKLFGO-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)c1ccoc1 ZINC000094869076 325790626 /nfs/dbraw/zinc/79/06/26/325790626.db2.gz YHLBDQMAFQAPDB-LBPRGKRZSA-N 1 0 247.363 3.723 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccoc1 ZINC000094869077 388874389 /nfs/dbraw/zinc/87/43/89/388874389.db2.gz YHLBDQMAFQAPDB-GFCCVEGCSA-N 1 0 247.363 3.723 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1ccoc1 ZINC000094869082 583171221 /nfs/dbraw/zinc/17/12/21/583171221.db2.gz CIYJQZKQOKMUAB-ZDUSSCGKSA-N 1 0 243.350 3.908 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccoc1 ZINC000094869083 583171330 /nfs/dbraw/zinc/17/13/30/583171330.db2.gz CIYJQZKQOKMUAB-CYBMUJFWSA-N 1 0 243.350 3.908 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccoc2)s1 ZINC000094869344 384997277 /nfs/dbraw/zinc/99/72/77/384997277.db2.gz BMZPRUFQGUKIOK-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccoc2)s1 ZINC000094869345 384999342 /nfs/dbraw/zinc/99/93/42/384999342.db2.gz BMZPRUFQGUKIOK-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccoc2)s1 ZINC000094869346 384996626 /nfs/dbraw/zinc/99/66/26/384996626.db2.gz BMZPRUFQGUKIOK-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccoc2)s1 ZINC000094869347 384999256 /nfs/dbraw/zinc/99/92/56/384999256.db2.gz BMZPRUFQGUKIOK-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)c1ccoc1 ZINC000094869352 384996584 /nfs/dbraw/zinc/99/65/84/384996584.db2.gz DFXMFKPGQVLHSV-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)c1ccoc1 ZINC000094869353 322977886 /nfs/dbraw/zinc/97/78/86/322977886.db2.gz DFXMFKPGQVLHSV-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000094869390 384997239 /nfs/dbraw/zinc/99/72/39/384997239.db2.gz UCAVFGHANACEHO-RYUDHWBXSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000094869391 322977936 /nfs/dbraw/zinc/97/79/36/322977936.db2.gz UCAVFGHANACEHO-NEPJUHHUSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccoc2)cc1 ZINC000094869392 322977883 /nfs/dbraw/zinc/97/78/83/322977883.db2.gz UCAVFGHANACEHO-NWDGAFQWSA-N 1 0 245.322 3.700 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)cc1 ZINC000094869393 322977925 /nfs/dbraw/zinc/97/79/25/322977925.db2.gz UCAVFGHANACEHO-VXGBXAGGSA-N 1 0 245.322 3.700 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2cc[nH]c2)CCCC1 ZINC000094873645 360323910 /nfs/dbraw/zinc/32/39/10/360323910.db2.gz RXVGFYJHHKBOMS-UHFFFAOYSA-N 1 0 234.387 3.711 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC000094873985 135620793 /nfs/dbraw/zinc/62/07/93/135620793.db2.gz QJRWAAZAFGXIHO-UHFFFAOYSA-N 1 0 246.398 3.778 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccncc2)CCCC1 ZINC000094873999 135621227 /nfs/dbraw/zinc/62/12/27/135621227.db2.gz LQMMAOVTVIYFPZ-UHFFFAOYSA-N 1 0 246.398 3.778 20 0 BHADRO COCC[C@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000094874112 386966164 /nfs/dbraw/zinc/96/61/64/386966164.db2.gz ZUADOZDWGOLRCJ-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000094874113 386965333 /nfs/dbraw/zinc/96/53/33/386965333.db2.gz ZUADOZDWGOLRCJ-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC000094874495 360324219 /nfs/dbraw/zinc/32/42/19/360324219.db2.gz HJVGFIQKMDCWAB-UHFFFAOYSA-N 1 0 246.398 3.778 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cscc2C)cc1 ZINC000094877005 386965193 /nfs/dbraw/zinc/96/51/93/386965193.db2.gz DXZKUZDNIOOIRS-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000094877294 360323922 /nfs/dbraw/zinc/32/39/22/360323922.db2.gz YUSXVHUIDVQVBX-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000094877520 360324086 /nfs/dbraw/zinc/32/40/86/360324086.db2.gz OMYCXDJIXQDXAW-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000094877521 360323701 /nfs/dbraw/zinc/32/37/01/360323701.db2.gz OMYCXDJIXQDXAW-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(C)cc1C ZINC000094877618 386965539 /nfs/dbraw/zinc/96/55/39/386965539.db2.gz ZLEBUCQSUFAKGV-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cscc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000094877627 256639939 /nfs/dbraw/zinc/63/99/39/256639939.db2.gz BYYNLHCYPVJJDR-GFCCVEGCSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cscc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000094877628 386965909 /nfs/dbraw/zinc/96/59/09/386965909.db2.gz BYYNLHCYPVJJDR-LBPRGKRZSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000094877758 386965887 /nfs/dbraw/zinc/96/58/87/386965887.db2.gz VEAJOPVPPIEEBP-LBPRGKRZSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)CCc1ccco1 ZINC000094877759 386965403 /nfs/dbraw/zinc/96/54/03/386965403.db2.gz VEAJOPVPPIEEBP-GFCCVEGCSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000094877899 360323972 /nfs/dbraw/zinc/32/39/72/360323972.db2.gz KAPOYHDNWQVBME-OAHLLOKOSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCc2ccccc21 ZINC000094877900 360324192 /nfs/dbraw/zinc/32/41/92/360324192.db2.gz KAPOYHDNWQVBME-HNNXBMFYSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cc(C)ccc1C ZINC000094877901 386965743 /nfs/dbraw/zinc/96/57/43/386965743.db2.gz JGPNPRGWRRZAOD-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000094878118 386965642 /nfs/dbraw/zinc/96/56/42/386965642.db2.gz OGGGACSUFIRDLE-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000094878139 386966190 /nfs/dbraw/zinc/96/61/90/386966190.db2.gz DPXKVPQYVRYIAJ-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000094878264 360325047 /nfs/dbraw/zinc/32/50/47/360325047.db2.gz LFSLFWNPQHBBIE-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cccc(C)c1C ZINC000094878265 386966116 /nfs/dbraw/zinc/96/61/16/386966116.db2.gz HZSDKANALFXCPE-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(F)cc1C ZINC000094878322 360325121 /nfs/dbraw/zinc/32/51/21/360325121.db2.gz MNPUHFMNYIVYHE-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cscc1C[NH2+]C/C=C/c1ccccc1 ZINC000094881320 386966211 /nfs/dbraw/zinc/96/62/11/386966211.db2.gz NLOMEQUYRSWYBM-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000094895821 360326015 /nfs/dbraw/zinc/32/60/15/360326015.db2.gz RULSWMYYFMNKIL-UHFFFAOYSA-N 1 0 243.350 3.768 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](C)CCCO)c1ccccc1 ZINC000094942096 169011820 /nfs/dbraw/zinc/01/18/20/169011820.db2.gz DJOVUMRNJUTBCG-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1 ZINC000094942097 344331953 /nfs/dbraw/zinc/33/19/53/344331953.db2.gz DJOVUMRNJUTBCG-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094942098 169013412 /nfs/dbraw/zinc/01/34/12/169013412.db2.gz DJOVUMRNJUTBCG-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094942099 168974227 /nfs/dbraw/zinc/97/42/27/168974227.db2.gz DJOVUMRNJUTBCG-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H](C)CCCO)c1ccccc1 ZINC000094942154 360327751 /nfs/dbraw/zinc/32/77/51/360327751.db2.gz YZESTCSDZXNCAQ-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1 ZINC000094942155 135622105 /nfs/dbraw/zinc/62/21/05/135622105.db2.gz YZESTCSDZXNCAQ-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094942156 360327617 /nfs/dbraw/zinc/32/76/17/360327617.db2.gz YZESTCSDZXNCAQ-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094942157 360327321 /nfs/dbraw/zinc/32/73/21/360327321.db2.gz YZESTCSDZXNCAQ-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCCO)cc1 ZINC000094942308 384319417 /nfs/dbraw/zinc/31/94/17/384319417.db2.gz AUXYGNRJVFOXGL-UONOGXRCSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCCO)cc1 ZINC000094942309 384319862 /nfs/dbraw/zinc/31/98/62/384319862.db2.gz AUXYGNRJVFOXGL-KBPBESRZSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCCO)cc1 ZINC000094942310 167612512 /nfs/dbraw/zinc/61/25/12/167612512.db2.gz AUXYGNRJVFOXGL-ZIAGYGMSSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1 ZINC000094942311 167619616 /nfs/dbraw/zinc/61/96/16/167619616.db2.gz AUXYGNRJVFOXGL-KGLIPLIRSA-N 1 0 249.398 3.622 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](CC)CCO)c1ccccc1 ZINC000094949300 384321205 /nfs/dbraw/zinc/32/12/05/384321205.db2.gz ZTINILGFOFBSRU-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccccc1 ZINC000094949301 384321131 /nfs/dbraw/zinc/32/11/31/384321131.db2.gz ZTINILGFOFBSRU-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](CC)CCO)c1ccccc1 ZINC000094949302 384322286 /nfs/dbraw/zinc/32/22/86/384322286.db2.gz ZTINILGFOFBSRU-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](CC)CCO)c1ccccc1 ZINC000094949303 384321180 /nfs/dbraw/zinc/32/11/80/384321180.db2.gz ZTINILGFOFBSRU-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccoc1 ZINC000094949989 322912040 /nfs/dbraw/zinc/91/20/40/322912040.db2.gz CBPRLCVCJUKKLW-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccoc1 ZINC000094949990 322912131 /nfs/dbraw/zinc/91/21/31/322912131.db2.gz CBPRLCVCJUKKLW-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccco1 ZINC000094950035 386970740 /nfs/dbraw/zinc/97/07/40/386970740.db2.gz JFKBWBQRPCHKAU-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccco1 ZINC000094950036 386971459 /nfs/dbraw/zinc/97/14/59/386971459.db2.gz JFKBWBQRPCHKAU-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC1(C)C ZINC000094950149 386972072 /nfs/dbraw/zinc/97/20/72/386972072.db2.gz QCFXMYJLVSPNON-OAHLLOKOSA-N 1 0 249.373 3.845 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC1(C)C ZINC000094950150 386971140 /nfs/dbraw/zinc/97/11/40/386971140.db2.gz QCFXMYJLVSPNON-HNNXBMFYSA-N 1 0 249.373 3.845 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(F)cc1C)C(C)C ZINC000094950297 386970914 /nfs/dbraw/zinc/97/09/14/386970914.db2.gz AIUJDGRFMGFSGT-HNNXBMFYSA-N 1 0 237.362 3.701 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(F)cc1C)C(C)C ZINC000094950298 386970946 /nfs/dbraw/zinc/97/09/46/386970946.db2.gz AIUJDGRFMGFSGT-OAHLLOKOSA-N 1 0 237.362 3.701 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000094950382 386971629 /nfs/dbraw/zinc/97/16/29/386971629.db2.gz YPRLSBXPPHTTKG-DGCLKSJQSA-N 1 0 237.362 3.701 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000094950383 386972117 /nfs/dbraw/zinc/97/21/17/386972117.db2.gz YPRLSBXPPHTTKG-WCQYABFASA-N 1 0 237.362 3.701 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000094950384 386971407 /nfs/dbraw/zinc/97/14/07/386971407.db2.gz YPRLSBXPPHTTKG-YPMHNXCESA-N 1 0 237.362 3.701 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000094950385 256641017 /nfs/dbraw/zinc/64/10/17/256641017.db2.gz YPRLSBXPPHTTKG-AAEUAGOBSA-N 1 0 237.362 3.701 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)CC(C)C ZINC000094950490 386971820 /nfs/dbraw/zinc/97/18/20/386971820.db2.gz VPFFIJKOENGOSK-ZDUSSCGKSA-N 1 0 237.362 3.701 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H](C)CC(C)C ZINC000094950491 386971978 /nfs/dbraw/zinc/97/19/78/386971978.db2.gz VPFFIJKOENGOSK-CYBMUJFWSA-N 1 0 237.362 3.701 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000094950570 386971807 /nfs/dbraw/zinc/97/18/07/386971807.db2.gz FETXXYMEZKISKO-BLLLJJGKSA-N 1 0 249.373 3.845 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000094950571 386971382 /nfs/dbraw/zinc/97/13/82/386971382.db2.gz FETXXYMEZKISKO-LRDDRELGSA-N 1 0 249.373 3.845 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000094950572 386971207 /nfs/dbraw/zinc/97/12/07/386971207.db2.gz FETXXYMEZKISKO-MLGOLLRUSA-N 1 0 249.373 3.845 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000094950573 386971867 /nfs/dbraw/zinc/97/18/67/386971867.db2.gz FETXXYMEZKISKO-WBMJQRKESA-N 1 0 249.373 3.845 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]C1CCCCC1 ZINC000094950704 386971179 /nfs/dbraw/zinc/97/11/79/386971179.db2.gz UUXXDXLBXKBXCG-UHFFFAOYSA-N 1 0 235.346 3.599 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000094951072 256641039 /nfs/dbraw/zinc/64/10/39/256641039.db2.gz MDBCBDMCCRZPLL-AWEZNQCLSA-N 1 0 247.357 3.623 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000094951073 256640882 /nfs/dbraw/zinc/64/08/82/256640882.db2.gz MDBCBDMCCRZPLL-CQSZACIVSA-N 1 0 247.357 3.623 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cc1F ZINC000094952401 256640595 /nfs/dbraw/zinc/64/05/95/256640595.db2.gz ZXAGWCAUQKSSQH-VHRBIJSZSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cc1F ZINC000094952403 256641089 /nfs/dbraw/zinc/64/10/89/256641089.db2.gz ZXAGWCAUQKSSQH-JKOKRWQUSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)C1CC1 ZINC000094952404 386971043 /nfs/dbraw/zinc/97/10/43/386971043.db2.gz LQKKUTDVYVRRJX-NHYWBVRUSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)C1CC1 ZINC000094952405 386971433 /nfs/dbraw/zinc/97/14/33/386971433.db2.gz LQKKUTDVYVRRJX-XHDPSFHLSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)C1CC1 ZINC000094952406 386971637 /nfs/dbraw/zinc/97/16/37/386971637.db2.gz LQKKUTDVYVRRJX-ABAIWWIYSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)C1CC1 ZINC000094952407 386972176 /nfs/dbraw/zinc/97/21/76/386972176.db2.gz LQKKUTDVYVRRJX-IAQYHMDHSA-N 1 0 235.346 3.973 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)c1cnccn1 ZINC000094984320 384327335 /nfs/dbraw/zinc/32/73/35/384327335.db2.gz HAMZDOIHEGOQSK-ZDUSSCGKSA-N 1 0 249.402 3.734 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)c1cnccn1 ZINC000094984321 384325842 /nfs/dbraw/zinc/32/58/42/384325842.db2.gz HAMZDOIHEGOQSK-CYBMUJFWSA-N 1 0 249.402 3.734 20 0 BHADRO CCCCCC(C)(C)C[NH2+]C[C@@H]1CCCOC1 ZINC000094984740 635398913 /nfs/dbraw/zinc/39/89/13/635398913.db2.gz XRULJYHONCMRBE-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCCC(C)(C)C[NH2+]C[C@H]1CCCOC1 ZINC000094984741 635400227 /nfs/dbraw/zinc/40/02/27/635400227.db2.gz XRULJYHONCMRBE-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1ccncc1 ZINC000094984787 635399735 /nfs/dbraw/zinc/39/97/35/635399735.db2.gz UEXCIGGTCGGALA-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1ccccn1 ZINC000094984808 635399798 /nfs/dbraw/zinc/39/97/98/635399798.db2.gz YKTUOTYTSWFGBT-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000094985149 635402490 /nfs/dbraw/zinc/40/24/90/635402490.db2.gz KDQNPWVRAPMMIA-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000094985150 635402401 /nfs/dbraw/zinc/40/24/01/635402401.db2.gz KDQNPWVRAPMMIA-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000094985151 635401174 /nfs/dbraw/zinc/40/11/74/635401174.db2.gz KDQNPWVRAPMMIA-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000094985152 635401653 /nfs/dbraw/zinc/40/16/53/635401653.db2.gz KDQNPWVRAPMMIA-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cccnc1 ZINC000094985200 711561490 /nfs/dbraw/zinc/56/14/90/711561490.db2.gz CVTSQSMHEWQWRJ-UHFFFAOYSA-N 1 0 234.387 3.778 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000095015695 360330912 /nfs/dbraw/zinc/33/09/12/360330912.db2.gz DJXZIIJBCRQFNB-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000095015696 360331121 /nfs/dbraw/zinc/33/11/21/360331121.db2.gz DJXZIIJBCRQFNB-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000095015697 360330635 /nfs/dbraw/zinc/33/06/35/360330635.db2.gz DJXZIIJBCRQFNB-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000095015698 360330905 /nfs/dbraw/zinc/33/09/05/360330905.db2.gz DJXZIIJBCRQFNB-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C1CCCC1 ZINC000095442076 384908052 /nfs/dbraw/zinc/90/80/52/384908052.db2.gz MIJQTPUKHBGZBO-NSHDSACASA-N 1 0 223.385 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C1CCCC1 ZINC000095442077 384906414 /nfs/dbraw/zinc/90/64/14/384906414.db2.gz MIJQTPUKHBGZBO-LLVKDONJSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@@H](C[NH+](CC)CC)c1ccccc1 ZINC000095719842 355770521 /nfs/dbraw/zinc/77/05/21/355770521.db2.gz KQGCWYDMZCARBU-ZDUSSCGKSA-N 1 0 205.345 3.522 20 0 BHADRO CC[C@H](C[NH+](CC)CC)c1ccccc1 ZINC000095719845 355770426 /nfs/dbraw/zinc/77/04/26/355770426.db2.gz KQGCWYDMZCARBU-CYBMUJFWSA-N 1 0 205.345 3.522 20 0 BHADRO CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000095811143 355770905 /nfs/dbraw/zinc/77/09/05/355770905.db2.gz LNIJJBOEPKQGPF-UHFFFAOYSA-N 1 0 239.362 3.751 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000096033194 167382141 /nfs/dbraw/zinc/38/21/41/167382141.db2.gz QSZVEEXBICZVJV-SECBINFHSA-N 1 0 229.726 3.613 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc(Cl)c1F ZINC000096033197 168299135 /nfs/dbraw/zinc/29/91/35/168299135.db2.gz AFNXVVHFUYMXML-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000096033228 169283264 /nfs/dbraw/zinc/28/32/64/169283264.db2.gz YJUMYJJKNVMYKD-SMDDNHRTSA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000096033229 169292257 /nfs/dbraw/zinc/29/22/57/169292257.db2.gz YJUMYJJKNVMYKD-FZMZJTMJSA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000096033230 169283523 /nfs/dbraw/zinc/28/35/23/169283523.db2.gz YJUMYJJKNVMYKD-BXUZGUMPSA-N 1 0 203.329 3.625 20 0 BHADRO CCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000096033231 169292491 /nfs/dbraw/zinc/29/24/91/169292491.db2.gz YJUMYJJKNVMYKD-RISCZKNCSA-N 1 0 203.329 3.625 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1CCCC1 ZINC000096477960 256645146 /nfs/dbraw/zinc/64/51/46/256645146.db2.gz YTPQQGMGQWMGPP-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CC1CCCC1 ZINC000096477962 387035039 /nfs/dbraw/zinc/03/50/39/387035039.db2.gz YTPQQGMGQWMGPP-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO c1csc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000096481237 387035198 /nfs/dbraw/zinc/03/51/98/387035198.db2.gz CAYOVRJJUJLMRR-HIFRSBDPSA-N 1 0 243.375 3.641 20 0 BHADRO c1csc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000096481239 256645110 /nfs/dbraw/zinc/64/51/10/256645110.db2.gz CAYOVRJJUJLMRR-UKRRQHHQSA-N 1 0 243.375 3.641 20 0 BHADRO c1csc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000096481241 256645127 /nfs/dbraw/zinc/64/51/27/256645127.db2.gz CAYOVRJJUJLMRR-ZFWWWQNUSA-N 1 0 243.375 3.641 20 0 BHADRO c1csc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000096481243 387035216 /nfs/dbraw/zinc/03/52/16/387035216.db2.gz CAYOVRJJUJLMRR-DZGCQCFKSA-N 1 0 243.375 3.641 20 0 BHADRO CCOc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000096610039 644826973 /nfs/dbraw/zinc/82/69/73/644826973.db2.gz ZTASRSNHTLVZSF-CYBMUJFWSA-N 1 0 249.398 3.857 20 0 BHADRO CCOc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1 ZINC000096610040 635622343 /nfs/dbraw/zinc/62/23/43/635622343.db2.gz ZTASRSNHTLVZSF-ZDUSSCGKSA-N 1 0 249.398 3.857 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC000096610041 398318341 /nfs/dbraw/zinc/31/83/41/398318341.db2.gz STDONKAJDDLDKK-NSHDSACASA-N 1 0 223.335 3.598 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC000096610043 398318479 /nfs/dbraw/zinc/31/84/79/398318479.db2.gz STDONKAJDDLDKK-LLVKDONJSA-N 1 0 223.335 3.598 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000096610049 631653166 /nfs/dbraw/zinc/65/31/66/631653166.db2.gz ZVESDHBXPUVWAW-JTQLQIEISA-N 1 0 241.325 3.737 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000096610050 631652952 /nfs/dbraw/zinc/65/29/52/631652952.db2.gz ZVESDHBXPUVWAW-SNVBAGLBSA-N 1 0 241.325 3.737 20 0 BHADRO CCOc1ccccc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000096610102 635622406 /nfs/dbraw/zinc/62/24/06/635622406.db2.gz ODZJKBPJRZCMQZ-CYBMUJFWSA-N 1 0 249.398 3.857 20 0 BHADRO CCOc1ccccc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000096610103 635622673 /nfs/dbraw/zinc/62/26/73/635622673.db2.gz ODZJKBPJRZCMQZ-ZDUSSCGKSA-N 1 0 249.398 3.857 20 0 BHADRO C[C@@H](C[NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000096610104 635622880 /nfs/dbraw/zinc/62/28/80/635622880.db2.gz CXYYVPYIYJVSLT-JTQLQIEISA-N 1 0 241.325 3.737 20 0 BHADRO C[C@H](C[NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000096610105 635622161 /nfs/dbraw/zinc/62/21/61/635622161.db2.gz CXYYVPYIYJVSLT-SNVBAGLBSA-N 1 0 241.325 3.737 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccsc1)C(C)(C)C ZINC000096610106 343829046 /nfs/dbraw/zinc/82/90/46/343829046.db2.gz CIVVXVUVHKLVEM-JTQLQIEISA-N 1 0 211.374 3.520 20 0 BHADRO C[C@H](C[NH2+]Cc1ccsc1)C(C)(C)C ZINC000096610107 343829171 /nfs/dbraw/zinc/82/91/71/343829171.db2.gz CIVVXVUVHKLVEM-SNVBAGLBSA-N 1 0 211.374 3.520 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000096610149 343829639 /nfs/dbraw/zinc/82/96/39/343829639.db2.gz IMKBNQKVUGAVQF-VIFPVBQESA-N 1 0 229.751 3.705 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000096610150 343830413 /nfs/dbraw/zinc/83/04/13/343830413.db2.gz IMKBNQKVUGAVQF-SECBINFHSA-N 1 0 229.751 3.705 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1F)C(C)(C)C ZINC000096610155 644826716 /nfs/dbraw/zinc/82/67/16/644826716.db2.gz PDLLHQNHPFKZBQ-JTQLQIEISA-N 1 0 241.325 3.737 20 0 BHADRO C[C@H](C[NH2+]Cc1cc(F)ccc1F)C(C)(C)C ZINC000096610156 644826107 /nfs/dbraw/zinc/82/61/07/644826107.db2.gz PDLLHQNHPFKZBQ-SNVBAGLBSA-N 1 0 241.325 3.737 20 0 BHADRO CCOc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000096610161 644827253 /nfs/dbraw/zinc/82/72/53/644827253.db2.gz ULJXSMLEJQGGSG-CYBMUJFWSA-N 1 0 249.398 3.857 20 0 BHADRO CCOc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000096610162 644826989 /nfs/dbraw/zinc/82/69/89/644826989.db2.gz ULJXSMLEJQGGSG-ZDUSSCGKSA-N 1 0 249.398 3.857 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1F ZINC000096610167 644826764 /nfs/dbraw/zinc/82/67/64/644826764.db2.gz ADPAFOCLWVCEFI-GFCCVEGCSA-N 1 0 237.362 3.906 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C(C)(C)C)ccc1F ZINC000096610168 644827014 /nfs/dbraw/zinc/82/70/14/644827014.db2.gz ADPAFOCLWVCEFI-LBPRGKRZSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC000096610182 344378847 /nfs/dbraw/zinc/37/88/47/344378847.db2.gz QWBZJWMESYBINL-NSHDSACASA-N 1 0 223.335 3.598 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC000096610184 343830304 /nfs/dbraw/zinc/83/03/04/343830304.db2.gz QWBZJWMESYBINL-LLVKDONJSA-N 1 0 223.335 3.598 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000096610189 631653250 /nfs/dbraw/zinc/65/32/50/631653250.db2.gz OHJKDTADJRAQLK-CYBMUJFWSA-N 1 0 219.372 3.767 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000096610190 644826672 /nfs/dbraw/zinc/82/66/72/644826672.db2.gz OHJKDTADJRAQLK-ZDUSSCGKSA-N 1 0 219.372 3.767 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccs1)C(C)(C)C ZINC000096610206 343830316 /nfs/dbraw/zinc/83/03/16/343830316.db2.gz JEYGUILZSMJNAJ-JTQLQIEISA-N 1 0 211.374 3.520 20 0 BHADRO C[C@H](C[NH2+]Cc1cccs1)C(C)(C)C ZINC000096610207 343830417 /nfs/dbraw/zinc/83/04/17/343830417.db2.gz JEYGUILZSMJNAJ-SNVBAGLBSA-N 1 0 211.374 3.520 20 0 BHADRO C[C@@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000096610226 635622808 /nfs/dbraw/zinc/62/28/08/635622808.db2.gz QXIQHAPDWQINBS-ZHZWZMEUSA-N 1 0 231.383 3.972 20 0 BHADRO C[C@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000096610227 635622244 /nfs/dbraw/zinc/62/22/44/635622244.db2.gz QXIQHAPDWQINBS-BMGYJQCNSA-N 1 0 231.383 3.972 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000096610235 398318465 /nfs/dbraw/zinc/31/84/65/398318465.db2.gz JUWSQMDNKUAMRF-LBPRGKRZSA-N 1 0 244.382 3.940 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000096610236 344379359 /nfs/dbraw/zinc/37/93/59/344379359.db2.gz JUWSQMDNKUAMRF-GFCCVEGCSA-N 1 0 244.382 3.940 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1F)C(C)(C)C ZINC000096610245 635622658 /nfs/dbraw/zinc/62/26/58/635622658.db2.gz NKNDKFJSWDIYIQ-JTQLQIEISA-N 1 0 241.325 3.737 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)cc1F)C(C)(C)C ZINC000096610246 635622432 /nfs/dbraw/zinc/62/24/32/635622432.db2.gz NKNDKFJSWDIYIQ-SNVBAGLBSA-N 1 0 241.325 3.737 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000096610255 398318520 /nfs/dbraw/zinc/31/85/20/398318520.db2.gz YUNRFFHZVUAUAB-SNVBAGLBSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000096610257 398318448 /nfs/dbraw/zinc/31/84/48/398318448.db2.gz YUNRFFHZVUAUAB-JTQLQIEISA-N 1 0 225.401 3.828 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1F ZINC000096610275 644827118 /nfs/dbraw/zinc/82/71/18/644827118.db2.gz SFYIJLHLNZLOOH-GFCCVEGCSA-N 1 0 237.362 3.906 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1F ZINC000096610276 644827406 /nfs/dbraw/zinc/82/74/06/644827406.db2.gz SFYIJLHLNZLOOH-LBPRGKRZSA-N 1 0 237.362 3.906 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000096610298 644827400 /nfs/dbraw/zinc/82/74/00/644827400.db2.gz PXYOGUQNRYCVKR-CYBMUJFWSA-N 1 0 219.372 3.767 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000096610299 644826664 /nfs/dbraw/zinc/82/66/64/644826664.db2.gz PXYOGUQNRYCVKR-ZDUSSCGKSA-N 1 0 219.372 3.767 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000096610303 644826547 /nfs/dbraw/zinc/82/65/47/644826547.db2.gz KTPOSZKGRYHFDI-CYBMUJFWSA-N 1 0 249.398 3.775 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000096610304 644826087 /nfs/dbraw/zinc/82/60/87/644826087.db2.gz KTPOSZKGRYHFDI-ZDUSSCGKSA-N 1 0 249.398 3.775 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000096610314 644826752 /nfs/dbraw/zinc/82/67/52/644826752.db2.gz UMQDJSQLOVJIHJ-GFCCVEGCSA-N 1 0 237.362 3.906 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000096610315 644827328 /nfs/dbraw/zinc/82/73/28/644827328.db2.gz UMQDJSQLOVJIHJ-LBPRGKRZSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(F)c1F)C(C)(C)C ZINC000096610317 491119643 /nfs/dbraw/zinc/11/96/43/491119643.db2.gz XWMTXTQVTJUXRS-JTQLQIEISA-N 1 0 241.325 3.737 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(F)c1F)C(C)(C)C ZINC000096610318 398086334 /nfs/dbraw/zinc/08/63/34/398086334.db2.gz XWMTXTQVTJUXRS-SNVBAGLBSA-N 1 0 241.325 3.737 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000096610346 644826585 /nfs/dbraw/zinc/82/65/85/644826585.db2.gz WEZSGLFNGKESFS-CYBMUJFWSA-N 1 0 219.372 3.767 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1 ZINC000096610347 644826957 /nfs/dbraw/zinc/82/69/57/644826957.db2.gz WEZSGLFNGKESFS-ZDUSSCGKSA-N 1 0 219.372 3.767 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000096610356 383829030 /nfs/dbraw/zinc/82/90/30/383829030.db2.gz ZZYQTLQDADHVRB-LLVKDONJSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000096610357 343830958 /nfs/dbraw/zinc/83/09/58/343830958.db2.gz ZZYQTLQDADHVRB-NSHDSACASA-N 1 0 225.401 3.828 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCC1)C(C)(C)C ZINC000096610402 644826624 /nfs/dbraw/zinc/82/66/24/644826624.db2.gz YGOFEYBXLONAQG-LBPRGKRZSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCC1)C(C)(C)C ZINC000096610403 644826960 /nfs/dbraw/zinc/82/69/60/644826960.db2.gz YGOFEYBXLONAQG-GFCCVEGCSA-N 1 0 211.393 3.981 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000096687099 387047008 /nfs/dbraw/zinc/04/70/08/387047008.db2.gz YWHRANRISDTLSH-LBPRGKRZSA-N 1 0 221.344 3.575 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000096687100 387045951 /nfs/dbraw/zinc/04/59/51/387045951.db2.gz YWHRANRISDTLSH-GFCCVEGCSA-N 1 0 221.344 3.575 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000096767813 371513239 /nfs/dbraw/zinc/51/32/39/371513239.db2.gz DKWDESZJZFKYDE-SECBINFHSA-N 1 0 240.416 3.532 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000096767814 344381068 /nfs/dbraw/zinc/38/10/68/344381068.db2.gz DKWDESZJZFKYDE-VIFPVBQESA-N 1 0 240.416 3.532 20 0 BHADRO CCC(CC)[NH2+]Cc1c(C)cccc1C ZINC000096811071 631654680 /nfs/dbraw/zinc/65/46/80/631654680.db2.gz FQYNNDYDNSKQRU-UHFFFAOYSA-N 1 0 205.345 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C(C1CC1)C1CC1 ZINC000096811103 644840323 /nfs/dbraw/zinc/84/03/23/644840323.db2.gz VYQVBICTDLIZOB-UHFFFAOYSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc(C)c1O ZINC000096835446 343155314 /nfs/dbraw/zinc/15/53/14/343155314.db2.gz ZORMVDKCYOUWDW-ZDUSSCGKSA-N 1 0 249.398 3.875 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc(C)c1O ZINC000096835447 343155289 /nfs/dbraw/zinc/15/52/89/343155289.db2.gz ZORMVDKCYOUWDW-CYBMUJFWSA-N 1 0 249.398 3.875 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C)c(O)c(C)c1 ZINC000096835458 256646547 /nfs/dbraw/zinc/64/65/47/256646547.db2.gz FMWSCDRDMFXEPP-UHFFFAOYSA-N 1 0 235.371 3.631 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)c1cccnc1 ZINC000096867407 635643253 /nfs/dbraw/zinc/64/32/53/635643253.db2.gz ODHYMDVGFBINPY-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)c1cccnc1 ZINC000096867408 635642994 /nfs/dbraw/zinc/64/29/94/635642994.db2.gz ODHYMDVGFBINPY-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)CCCC[NH2+]Cc1cccc(F)c1F ZINC000096867467 635643635 /nfs/dbraw/zinc/64/36/35/635643635.db2.gz NJJRJRQGQBHGJQ-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO Cc1nc(C)c(C[NH2+]CCCCC(C)C)s1 ZINC000096867480 635643404 /nfs/dbraw/zinc/64/34/04/635643404.db2.gz PBPOYRWYWVSCQW-UHFFFAOYSA-N 1 0 240.416 3.676 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC000096867481 635642636 /nfs/dbraw/zinc/64/26/36/635642636.db2.gz MYMAORAEURRYOF-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccc(F)cc1F ZINC000096867514 644844676 /nfs/dbraw/zinc/84/46/76/644844676.db2.gz UBQRXZSUBNVUTL-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO COc1cccc(C[NH2+]CCCCC(C)C)c1 ZINC000096867515 644845002 /nfs/dbraw/zinc/84/50/02/644845002.db2.gz OGBHIMUNFWOJLW-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccccc1F ZINC000096867516 644844766 /nfs/dbraw/zinc/84/47/66/644844766.db2.gz PCMRRKUEMIRMNY-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccsc1 ZINC000096867518 644845193 /nfs/dbraw/zinc/84/51/93/644845193.db2.gz AGKAIUIBXJJZDR-UHFFFAOYSA-N 1 0 211.374 3.664 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCCCC(C)C ZINC000096867522 644844029 /nfs/dbraw/zinc/84/40/29/644844029.db2.gz FSDLUAXVRCAOAV-UHFFFAOYSA-N 1 0 249.398 3.920 20 0 BHADRO CC(C)CCCC[NH2+]Cc1cc(F)ccc1F ZINC000096867526 644844728 /nfs/dbraw/zinc/84/47/28/644844728.db2.gz DBYQJRRWKKPOBD-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO CCc1nc(C[NH2+]CCCCC(C)C)cs1 ZINC000096867541 644844283 /nfs/dbraw/zinc/84/42/83/644844283.db2.gz YWAUQXXXDBDHEV-UHFFFAOYSA-N 1 0 240.416 3.621 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccccc1 ZINC000096867546 644844169 /nfs/dbraw/zinc/84/41/69/644844169.db2.gz ULEUWSLSDMVBMQ-UHFFFAOYSA-N 1 0 205.345 3.603 20 0 BHADRO COc1ccc(C[NH2+]CCCCC(C)C)cc1 ZINC000096867548 644844632 /nfs/dbraw/zinc/84/46/32/644844632.db2.gz KNHHCMXNRBCNGV-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000096867551 644844741 /nfs/dbraw/zinc/84/47/41/644844741.db2.gz SKDAPYDJFWHGMO-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO Cc1ccc(C[NH2+]CCCCC(C)C)s1 ZINC000096867556 644844417 /nfs/dbraw/zinc/84/44/17/644844417.db2.gz WRMMNGMGESJEMG-UHFFFAOYSA-N 1 0 225.401 3.972 20 0 BHADRO CC(C)CCCC[NH2+]Cc1cccs1 ZINC000096867573 644844254 /nfs/dbraw/zinc/84/42/54/644844254.db2.gz QPWZKVQQJYSFPW-UHFFFAOYSA-N 1 0 211.374 3.664 20 0 BHADRO Cc1ccc(C[NH2+]CCCCC(C)C)o1 ZINC000096867574 644843274 /nfs/dbraw/zinc/84/32/74/644843274.db2.gz BDZNJJRXQLRGKH-UHFFFAOYSA-N 1 0 209.333 3.504 20 0 BHADRO CC(C)CCCC[NH2+]Cc1cccc(F)c1 ZINC000096867583 635643411 /nfs/dbraw/zinc/64/34/11/635643411.db2.gz BEKDXXLFUGXPOS-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO COc1ccccc1C[NH2+]CCCCC(C)C ZINC000096867585 635642957 /nfs/dbraw/zinc/64/29/57/635642957.db2.gz ZWZTVLOINUQDJP-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO Cc1ccsc1C[NH2+]CCCCC(C)C ZINC000096867591 644844947 /nfs/dbraw/zinc/84/49/47/644844947.db2.gz HWYWMWDERRFCMK-UHFFFAOYSA-N 1 0 225.401 3.972 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000096942578 256647285 /nfs/dbraw/zinc/64/72/85/256647285.db2.gz VXIYGZLCQPMSSB-OAHLLOKOSA-N 1 0 247.382 3.774 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000096942579 256647075 /nfs/dbraw/zinc/64/70/75/256647075.db2.gz VXIYGZLCQPMSSB-HNNXBMFYSA-N 1 0 247.382 3.774 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCCCC2)cc(C)c1O ZINC000096942583 490406046 /nfs/dbraw/zinc/40/60/46/490406046.db2.gz HBNGRSTZMBBCEZ-UHFFFAOYSA-N 1 0 247.382 3.774 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000096953900 355836332 /nfs/dbraw/zinc/83/63/32/355836332.db2.gz CUPAXBHNNNSUNI-GFCCVEGCSA-N 1 0 239.309 3.729 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000096953901 386410596 /nfs/dbraw/zinc/41/05/96/386410596.db2.gz CUPAXBHNNNSUNI-LBPRGKRZSA-N 1 0 239.309 3.729 20 0 BHADRO C[N@H+](Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000096953907 386411225 /nfs/dbraw/zinc/41/12/25/386411225.db2.gz AIXOUYFAHRNCHS-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000096954278 387233022 /nfs/dbraw/zinc/23/30/22/387233022.db2.gz HVDJKCFVZZWGDL-UHFFFAOYSA-N 1 0 231.261 3.546 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCc1ccccc1 ZINC000096955963 176019938 /nfs/dbraw/zinc/01/99/38/176019938.db2.gz OZVOFMYBUPHJRJ-HNNXBMFYSA-N 1 0 239.362 3.922 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1 ZINC000096955964 177039263 /nfs/dbraw/zinc/03/92/63/177039263.db2.gz OZVOFMYBUPHJRJ-OAHLLOKOSA-N 1 0 239.362 3.922 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000096969170 635461674 /nfs/dbraw/zinc/46/16/74/635461674.db2.gz QPHDGYNWTUKWKB-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000096969171 635462990 /nfs/dbraw/zinc/46/29/90/635462990.db2.gz QPHDGYNWTUKWKB-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO COc1ccc(CC[N@H+](C)C2CCCCC2)cc1 ZINC000096969183 635462334 /nfs/dbraw/zinc/46/23/34/635462334.db2.gz XECPAEMICIPTRP-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(F)c(F)c1 ZINC000096969513 169148489 /nfs/dbraw/zinc/14/84/89/169148489.db2.gz ZCUMAQUZXLSNLE-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO CCC[NH+](CCC)Cc1nc2ccccc2s1 ZINC000096969525 322981424 /nfs/dbraw/zinc/98/14/24/322981424.db2.gz NRRSGPYNUBOXIQ-UHFFFAOYSA-N 1 0 248.395 3.918 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc2ccccc21 ZINC000096969887 635462100 /nfs/dbraw/zinc/46/21/00/635462100.db2.gz DUPFCUUEFMUGNL-UHFFFAOYSA-N 1 0 213.324 3.680 20 0 BHADRO CC(C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000096969899 387232531 /nfs/dbraw/zinc/23/25/31/387232531.db2.gz KLQXTRGMXWLTRU-UHFFFAOYSA-N 1 0 231.261 3.546 20 0 BHADRO CCCC[N@H+](CC)Cc1nc2ccccc2s1 ZINC000096970254 385263379 /nfs/dbraw/zinc/26/33/79/385263379.db2.gz QYAWVYSINYDOEW-UHFFFAOYSA-N 1 0 248.395 3.918 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)c(F)c1)CC1CC1 ZINC000096970333 386411391 /nfs/dbraw/zinc/41/13/91/386411391.db2.gz ZUVCKBZBMDCZJU-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCOc1ccc(C[N@H+](C)CCC(C)C)cc1 ZINC000096970677 386412679 /nfs/dbraw/zinc/41/26/79/386412679.db2.gz HNONCLMWRAKTNB-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000096981578 386410707 /nfs/dbraw/zinc/41/07/07/386410707.db2.gz CKNHZPKYUYEVIR-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO Cc1ccsc1C[N@H+](C)CCc1ccccc1 ZINC000096981841 386412560 /nfs/dbraw/zinc/41/25/60/386412560.db2.gz UHIZEODYJRKMGP-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO CCOCC[NH2+][C@@H](c1ccc(CC)cc1)C(C)C ZINC000096982064 385279245 /nfs/dbraw/zinc/27/92/45/385279245.db2.gz CUSKAQXOWZLGJO-MRXNPFEDSA-N 1 0 249.398 3.572 20 0 BHADRO CCOCC[NH2+][C@H](c1ccc(CC)cc1)C(C)C ZINC000096982065 385280235 /nfs/dbraw/zinc/28/02/35/385280235.db2.gz CUSKAQXOWZLGJO-INIZCTEOSA-N 1 0 249.398 3.572 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000096982197 537906000 /nfs/dbraw/zinc/90/60/00/537906000.db2.gz CJNIEHRWXFODEH-ZDUSSCGKSA-N 1 0 205.345 3.870 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000096982198 537906230 /nfs/dbraw/zinc/90/62/30/537906230.db2.gz CJNIEHRWXFODEH-CYBMUJFWSA-N 1 0 205.345 3.870 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CCc1ccccc1 ZINC000096990626 176033380 /nfs/dbraw/zinc/03/33/80/176033380.db2.gz TXDVGOSMGLMCAN-ZDUSSCGKSA-N 1 0 245.391 3.984 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CCc1ccccc1 ZINC000096990627 177049391 /nfs/dbraw/zinc/04/93/91/177049391.db2.gz TXDVGOSMGLMCAN-CYBMUJFWSA-N 1 0 245.391 3.984 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000097027086 487685085 /nfs/dbraw/zinc/68/50/85/487685085.db2.gz NZQCTAQCQDITAJ-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000097027087 487685015 /nfs/dbraw/zinc/68/50/15/487685015.db2.gz NZQCTAQCQDITAJ-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO Cc1cc(C)c(NC(=O)C2CCCCC2)c(C)n1 ZINC000097039908 387235844 /nfs/dbraw/zinc/23/58/44/387235844.db2.gz UAINMORYWIVMDF-UHFFFAOYSA-N 1 0 246.354 3.526 20 0 BHADRO Cc1cc(C)c(NC(=O)CC2CCCC2)c(C)n1 ZINC000097039936 387235253 /nfs/dbraw/zinc/23/52/53/387235253.db2.gz BLPKZWUHLJDBLZ-UHFFFAOYSA-N 1 0 246.354 3.526 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000097150424 487689870 /nfs/dbraw/zinc/68/98/70/487689870.db2.gz CXYGSYMFBWTEOV-ZDUSSCGKSA-N 1 0 235.371 3.734 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000097150425 487689887 /nfs/dbraw/zinc/68/98/87/487689887.db2.gz CXYGSYMFBWTEOV-CYBMUJFWSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000097254493 355846347 /nfs/dbraw/zinc/84/63/47/355846347.db2.gz ZSVOGLAQBLZBNP-LLVKDONJSA-N 1 0 239.309 3.587 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)Cc1cccs1 ZINC000097268977 384117058 /nfs/dbraw/zinc/11/70/58/384117058.db2.gz YBMMNFJCYPPVQT-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000097270857 360367854 /nfs/dbraw/zinc/36/78/54/360367854.db2.gz HJSOYQAKJXSZGP-LBPRGKRZSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000097270858 360367282 /nfs/dbraw/zinc/36/72/82/360367282.db2.gz HJSOYQAKJXSZGP-GFCCVEGCSA-N 1 0 229.323 3.781 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000097324234 167243566 /nfs/dbraw/zinc/24/35/66/167243566.db2.gz PDKOHLOMNZWIEQ-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000097324235 167246446 /nfs/dbraw/zinc/24/64/46/167246446.db2.gz PDKOHLOMNZWIEQ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000097324236 167245078 /nfs/dbraw/zinc/24/50/78/167245078.db2.gz PDKOHLOMNZWIEQ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000097324237 167246210 /nfs/dbraw/zinc/24/62/10/167246210.db2.gz PDKOHLOMNZWIEQ-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CC1CCCC1 ZINC000097356880 176020581 /nfs/dbraw/zinc/02/05/81/176020581.db2.gz LZKZXXILEUGFKK-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CC1CCCC1 ZINC000097356881 177037618 /nfs/dbraw/zinc/03/76/18/177037618.db2.gz LZKZXXILEUGFKK-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO CC[N@H+](Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000097357935 344732959 /nfs/dbraw/zinc/73/29/59/344732959.db2.gz QGGJYWROXNAOGG-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](C)CCO)c1ccccc1 ZINC000097439356 360371508 /nfs/dbraw/zinc/37/15/08/360371508.db2.gz RVWVDTTTWKSNJY-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1 ZINC000097439357 360371568 /nfs/dbraw/zinc/37/15/68/360371568.db2.gz RVWVDTTTWKSNJY-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](C)CCO)c1ccccc1 ZINC000097439358 360371708 /nfs/dbraw/zinc/37/17/08/360371708.db2.gz RVWVDTTTWKSNJY-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](C)CCO)c1ccccc1 ZINC000097439359 534933765 /nfs/dbraw/zinc/93/37/65/534933765.db2.gz RVWVDTTTWKSNJY-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1CCCCCC1 ZINC000097466534 176025421 /nfs/dbraw/zinc/02/54/21/176025421.db2.gz SFSHXHQWLQWFAI-LBPRGKRZSA-N 1 0 221.319 3.763 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1CCCCCC1 ZINC000097466535 177041188 /nfs/dbraw/zinc/04/11/88/177041188.db2.gz SFSHXHQWLQWFAI-GFCCVEGCSA-N 1 0 221.319 3.763 20 0 BHADRO CCCCC[N@H+](CCc1ccncc1)C(C)C ZINC000097474017 387247285 /nfs/dbraw/zinc/24/72/85/387247285.db2.gz TUCVZULLENYDBK-UHFFFAOYSA-N 1 0 234.387 3.525 20 0 BHADRO CSCC[N@H+](C)Cc1cccc2ccccc21 ZINC000097474540 387246836 /nfs/dbraw/zinc/24/68/36/387246836.db2.gz QAUWJISURXZQCB-UHFFFAOYSA-N 1 0 245.391 3.635 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000097475980 387246957 /nfs/dbraw/zinc/24/69/57/387246957.db2.gz RONLZAJNKDONBY-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000097475981 387248019 /nfs/dbraw/zinc/24/80/19/387248019.db2.gz RONLZAJNKDONBY-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000097475987 387246867 /nfs/dbraw/zinc/24/68/67/387246867.db2.gz PXFHNTAQCLXLCR-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000097475988 175493354 /nfs/dbraw/zinc/49/33/54/175493354.db2.gz PXFHNTAQCLXLCR-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(Cl)c1)CC1CC1 ZINC000097489786 188148800 /nfs/dbraw/zinc/14/88/00/188148800.db2.gz PPIODJPHIWIZSD-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO CC[N@H+](CCc1ccc(OC)cc1)C1CCCC1 ZINC000097491326 386465000 /nfs/dbraw/zinc/46/50/00/386465000.db2.gz CEHYHSPDKFDPPH-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CC(C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000097492012 384223856 /nfs/dbraw/zinc/22/38/56/384223856.db2.gz CJNHWPPBJUBLMU-UHFFFAOYSA-N 1 0 232.154 3.834 20 0 BHADRO c1cc(C[N@@H+](CC2CC2)C2CCCCC2)ccn1 ZINC000097600556 183338779 /nfs/dbraw/zinc/33/87/79/183338779.db2.gz XSQOAKBUXDCONR-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO COCc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1 ZINC000097603026 344400747 /nfs/dbraw/zinc/40/07/47/344400747.db2.gz AOFHLJRHMXESAO-ZDUSSCGKSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000097603027 342812030 /nfs/dbraw/zinc/81/20/30/342812030.db2.gz AOFHLJRHMXESAO-CYBMUJFWSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000097603028 342812050 /nfs/dbraw/zinc/81/20/50/342812050.db2.gz ZSVBSRLEZMTFAY-ZDUSSCGKSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000097603029 342812079 /nfs/dbraw/zinc/81/20/79/342812079.db2.gz ZSVBSRLEZMTFAY-CYBMUJFWSA-N 1 0 249.398 3.605 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000097603032 636189624 /nfs/dbraw/zinc/18/96/24/636189624.db2.gz JZPRFEIIBVGNCT-UPJWGTAASA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000097603034 636189151 /nfs/dbraw/zinc/18/91/51/636189151.db2.gz JZPRFEIIBVGNCT-JHJVBQTASA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000097603069 636189699 /nfs/dbraw/zinc/18/96/99/636189699.db2.gz WKGHXWZDLPSSAG-OTTFEQOBSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000097603071 636189025 /nfs/dbraw/zinc/18/90/25/636189025.db2.gz WKGHXWZDLPSSAG-CPCZMJQVSA-N 1 0 211.393 3.837 20 0 BHADRO COCc1ccc(C[NH2+]CCCCC(C)C)cc1 ZINC000097603159 644936058 /nfs/dbraw/zinc/93/60/58/644936058.db2.gz GHBBKRITRMVGBO-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO COCc1cccc(C[NH2+]CCCCC(C)C)c1 ZINC000097603161 644936187 /nfs/dbraw/zinc/93/61/87/644936187.db2.gz CNJYJJOPVPWHDB-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000097658620 386474876 /nfs/dbraw/zinc/47/48/76/386474876.db2.gz HKBISCSHRDDKDT-CQSZACIVSA-N 1 0 247.382 3.631 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000097658622 386475704 /nfs/dbraw/zinc/47/57/04/386475704.db2.gz HKBISCSHRDDKDT-AWEZNQCLSA-N 1 0 247.382 3.631 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000097658658 386475530 /nfs/dbraw/zinc/47/55/30/386475530.db2.gz LVWHLDINUIPQCM-CYBMUJFWSA-N 1 0 235.371 3.629 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000097658660 386475470 /nfs/dbraw/zinc/47/54/70/386475470.db2.gz LVWHLDINUIPQCM-ZDUSSCGKSA-N 1 0 235.371 3.629 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cc(F)ccc1C ZINC000097849092 360381399 /nfs/dbraw/zinc/38/13/99/360381399.db2.gz LLNHGBFGQUNDCZ-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861208 360381153 /nfs/dbraw/zinc/38/11/53/360381153.db2.gz WYKLWVFLZPTREQ-UHFFFAOYSA-N 1 0 242.366 3.821 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3CCCC3)ccc2n1 ZINC000097861211 488013971 /nfs/dbraw/zinc/01/39/71/488013971.db2.gz HUUJZDHBLCNFCX-UHFFFAOYSA-N 1 0 240.350 3.575 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861212 360381480 /nfs/dbraw/zinc/38/14/80/360381480.db2.gz LAGVYKGCVMOPRC-UHFFFAOYSA-N 1 0 242.366 3.821 20 0 BHADRO CCCCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861222 535075345 /nfs/dbraw/zinc/07/53/45/535075345.db2.gz HETODSKTTISOAD-UHFFFAOYSA-N 1 0 242.366 3.823 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861225 541393939 /nfs/dbraw/zinc/39/39/39/541393939.db2.gz MLAIYKQPBBMFJS-GFCCVEGCSA-N 1 0 242.366 3.821 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861226 541393832 /nfs/dbraw/zinc/39/38/32/541393832.db2.gz MLAIYKQPBBMFJS-LBPRGKRZSA-N 1 0 242.366 3.821 20 0 BHADRO Cc1ccc2cc(C[NH2+]CCC(C)C)ccc2n1 ZINC000097861241 360381565 /nfs/dbraw/zinc/38/15/65/360381565.db2.gz KWLZPFIGMKBAES-UHFFFAOYSA-N 1 0 242.366 3.679 20 0 BHADRO Cc1ccc2cc(C[NH2+]CC(C)(C)C)ccc2n1 ZINC000097861510 360381416 /nfs/dbraw/zinc/38/14/16/360381416.db2.gz HJAFUBFKZQPYTJ-UHFFFAOYSA-N 1 0 242.366 3.679 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861637 135632436 /nfs/dbraw/zinc/63/24/36/135632436.db2.gz WSPLLOWWLUPTJP-GFCCVEGCSA-N 1 0 242.366 3.679 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861638 360381635 /nfs/dbraw/zinc/38/16/35/360381635.db2.gz WSPLLOWWLUPTJP-LBPRGKRZSA-N 1 0 242.366 3.679 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C)CCC3)ccc2n1 ZINC000097862006 178969527 /nfs/dbraw/zinc/96/95/27/178969527.db2.gz UDIJQJDVAHUURT-UHFFFAOYSA-N 1 0 240.350 3.575 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000097901350 384574191 /nfs/dbraw/zinc/57/41/91/384574191.db2.gz LXAYMLPWBXXWDG-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000097901355 386575727 /nfs/dbraw/zinc/57/57/27/386575727.db2.gz LXAYMLPWBXXWDG-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1F ZINC000097988550 386575258 /nfs/dbraw/zinc/57/52/58/386575258.db2.gz AGRPOQUHIDYVII-VIFPVBQESA-N 1 0 249.251 3.819 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1F ZINC000097988551 386574281 /nfs/dbraw/zinc/57/42/81/386574281.db2.gz AGRPOQUHIDYVII-SECBINFHSA-N 1 0 249.251 3.819 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1 ZINC000097988579 176841996 /nfs/dbraw/zinc/84/19/96/176841996.db2.gz SNTNUFJMYGUQLV-VIFPVBQESA-N 1 0 249.251 3.819 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1 ZINC000097988580 175873492 /nfs/dbraw/zinc/87/34/92/175873492.db2.gz SNTNUFJMYGUQLV-SECBINFHSA-N 1 0 249.251 3.819 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1cccc(F)c1 ZINC000097988591 384583921 /nfs/dbraw/zinc/58/39/21/384583921.db2.gz JIHHUKPCQWPDJH-VIFPVBQESA-N 1 0 249.251 3.819 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(F)c1 ZINC000097988592 384583813 /nfs/dbraw/zinc/58/38/13/384583813.db2.gz JIHHUKPCQWPDJH-SECBINFHSA-N 1 0 249.251 3.819 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000097988617 384581548 /nfs/dbraw/zinc/58/15/48/384581548.db2.gz OZBXFYLDHQFCKT-JTQLQIEISA-N 1 0 231.261 3.680 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000097988618 384581300 /nfs/dbraw/zinc/58/13/00/384581300.db2.gz OZBXFYLDHQFCKT-SNVBAGLBSA-N 1 0 231.261 3.680 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000097988627 179180376 /nfs/dbraw/zinc/18/03/76/179180376.db2.gz GDUOWPGSKXTNDE-LLVKDONJSA-N 1 0 245.288 3.988 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000097988628 179194855 /nfs/dbraw/zinc/19/48/55/179194855.db2.gz GDUOWPGSKXTNDE-NSHDSACASA-N 1 0 245.288 3.988 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(F)(F)F)c(C)c1 ZINC000097988703 386574796 /nfs/dbraw/zinc/57/47/96/386574796.db2.gz KCHQWBYPZQZKCK-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO CC1(C)CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000097988763 384584026 /nfs/dbraw/zinc/58/40/26/384584026.db2.gz ZTHMYXQPYGHXNT-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CCc1ccc(C[NH2+]CCCC(F)(F)F)cc1 ZINC000097988769 386575940 /nfs/dbraw/zinc/57/59/40/386575940.db2.gz YHHTXEILEWQWBL-UHFFFAOYSA-N 1 0 245.288 3.681 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(F)(F)F)c1C ZINC000097988804 384583912 /nfs/dbraw/zinc/58/39/12/384583912.db2.gz XHRFSOJOLCLRAV-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO CCC1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000097988816 256663444 /nfs/dbraw/zinc/66/34/44/256663444.db2.gz DSPYXKFHOYHGSS-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCCC(F)(F)F)c1 ZINC000097988870 386575191 /nfs/dbraw/zinc/57/51/91/386575191.db2.gz BSLGMQQSZOTPMY-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(F)(F)F)cc1F ZINC000097988875 384582067 /nfs/dbraw/zinc/58/20/67/384582067.db2.gz AHFBUIMBLQQCKL-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000097988888 386574724 /nfs/dbraw/zinc/57/47/24/386574724.db2.gz CKEYHNAQXNTEKB-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000097988889 386575640 /nfs/dbraw/zinc/57/56/40/386575640.db2.gz CKEYHNAQXNTEKB-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000097988890 386574821 /nfs/dbraw/zinc/57/48/21/386574821.db2.gz CKEYHNAQXNTEKB-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000097988891 386575446 /nfs/dbraw/zinc/57/54/46/386575446.db2.gz CKEYHNAQXNTEKB-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(F)(F)F)cc1C ZINC000097988900 386575536 /nfs/dbraw/zinc/57/55/36/386575536.db2.gz LTNJKFVDMFALEK-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCCC(F)(F)F ZINC000097988955 178086126 /nfs/dbraw/zinc/08/61/26/178086126.db2.gz JWBXSCJULLELGW-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO FC(F)(F)CCC[NH2+]C/C=C/c1ccccc1 ZINC000097988957 384581308 /nfs/dbraw/zinc/58/13/08/384581308.db2.gz PSJXIKDBZFTGCC-XBXARRHUSA-N 1 0 243.272 3.632 20 0 BHADRO Cc1cc(C[NH2+]CCCC(F)(F)F)ccc1F ZINC000097988962 386576051 /nfs/dbraw/zinc/57/60/51/386576051.db2.gz NELDOPOZWPTDHW-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCCC(F)(F)F)c1 ZINC000097988972 256663529 /nfs/dbraw/zinc/66/35/29/256663529.db2.gz WTUUUEUHGXNVAC-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO FC(F)(F)C1CCC(C[NH2+]C2CCCC2)CC1 ZINC000097996626 642653458 /nfs/dbraw/zinc/65/34/58/642653458.db2.gz GFHNMBFNQSEQJO-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CCCC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000098129942 631684853 /nfs/dbraw/zinc/68/48/53/631684853.db2.gz GJHCFMLOFUYOFN-UHFFFAOYSA-N 1 0 247.169 3.620 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000098130085 386579714 /nfs/dbraw/zinc/57/97/14/386579714.db2.gz HARIMZSZJNSCKD-JTQLQIEISA-N 1 0 243.297 3.691 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000098130086 386580295 /nfs/dbraw/zinc/58/02/95/386580295.db2.gz HARIMZSZJNSCKD-SNVBAGLBSA-N 1 0 243.297 3.691 20 0 BHADRO CCCC[NH+](CCCC)Cc1cnc(C)s1 ZINC000098132455 256664031 /nfs/dbraw/zinc/66/40/31/256664031.db2.gz WYFGFHMDBPPSTI-UHFFFAOYSA-N 1 0 240.416 3.854 20 0 BHADRO CC[N@H+](Cc1cnc(C)s1)C1CCCCC1 ZINC000098132522 360389283 /nfs/dbraw/zinc/38/92/83/360389283.db2.gz LTWZPMSFSBJOMB-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CCCCC[N@H+](Cc1cnc(C)s1)C(C)C ZINC000098132645 360389768 /nfs/dbraw/zinc/38/97/68/360389768.db2.gz MOHVGCDCCOAIBS-UHFFFAOYSA-N 1 0 240.416 3.852 20 0 BHADRO CCC(CC)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000098161605 386580808 /nfs/dbraw/zinc/58/08/08/386580808.db2.gz FXQQDYKDAWEJLZ-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000098161710 167383963 /nfs/dbraw/zinc/38/39/63/167383963.db2.gz SNQLQRJLQLWGTN-SNVBAGLBSA-N 1 0 240.416 3.575 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000098161711 187363061 /nfs/dbraw/zinc/36/30/61/187363061.db2.gz SNQLQRJLQLWGTN-JTQLQIEISA-N 1 0 240.416 3.575 20 0 BHADRO c1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC000098177043 344407585 /nfs/dbraw/zinc/40/75/85/344407585.db2.gz ACEBBXGTQWXHQM-UHFFFAOYSA-N 1 0 215.340 3.594 20 0 BHADRO c1ccc(N2CCC3(CCCCC3)CC2)nc1 ZINC000098177174 353780970 /nfs/dbraw/zinc/78/09/70/353780970.db2.gz JHBARKUCTDHBMX-UHFFFAOYSA-N 1 0 230.355 3.632 20 0 BHADRO CCCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000101226585 350164966 /nfs/dbraw/zinc/16/49/66/350164966.db2.gz WCHTUDGSCKBZLK-HNNXBMFYSA-N 1 0 217.356 3.796 20 0 BHADRO CCCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000101226587 350164934 /nfs/dbraw/zinc/16/49/34/350164934.db2.gz WCHTUDGSCKBZLK-OAHLLOKOSA-N 1 0 217.356 3.796 20 0 BHADRO C[N@@H+](CCc1ccncc1)CCC1CCCCC1 ZINC000101566060 323160031 /nfs/dbraw/zinc/16/00/31/323160031.db2.gz MPGZXSYIFCYYIX-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000102258196 367962843 /nfs/dbraw/zinc/96/28/43/367962843.db2.gz JDZOVGMLFPOBAC-UHFFFAOYSA-N 1 0 237.346 3.949 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1cccc(C)c1 ZINC000102408453 357388969 /nfs/dbraw/zinc/38/89/69/357388969.db2.gz UJHPXYKFQWRFSB-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1ccc(C)cc1 ZINC000102408722 357389164 /nfs/dbraw/zinc/38/91/64/357389164.db2.gz DKDJIWGMSPXKGP-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO CCCCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102419348 587831464 /nfs/dbraw/zinc/83/14/64/587831464.db2.gz HSVIJPFXLGPEIO-UHFFFAOYSA-N 1 0 245.366 3.632 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]Cc1cccs1 ZINC000102419843 367984935 /nfs/dbraw/zinc/98/49/35/367984935.db2.gz KBWFRPLROGQYQW-RAXLEYEMSA-N 1 0 243.375 3.941 20 0 BHADRO Cc1ccccc1C1(C[NH2+]C2CCCC2)CC1 ZINC000102434288 587831893 /nfs/dbraw/zinc/83/18/93/587831893.db2.gz MFWUVGKFHMFENS-UHFFFAOYSA-N 1 0 229.367 3.559 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@@H](C)c1ccccc1 ZINC000102517888 357477245 /nfs/dbraw/zinc/47/72/45/357477245.db2.gz NWWGQSAQXWGBPR-ZDUSSCGKSA-N 1 0 229.323 3.863 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@H](C)c1ccccc1 ZINC000102517894 357477584 /nfs/dbraw/zinc/47/75/84/357477584.db2.gz NWWGQSAQXWGBPR-CYBMUJFWSA-N 1 0 229.323 3.863 20 0 BHADRO CC[NH+](CC)Cc1cnc(-c2ccccc2)s1 ZINC000102668092 384723131 /nfs/dbraw/zinc/72/31/31/384723131.db2.gz RGMHWDBZJKVRRI-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO CC(C)[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000102673840 384576104 /nfs/dbraw/zinc/57/61/04/384576104.db2.gz KACVNIXQMPNBCB-UHFFFAOYSA-N 1 0 229.323 3.690 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)Cc1ccsc1 ZINC000102675670 357785398 /nfs/dbraw/zinc/78/53/98/357785398.db2.gz PXQMXIMCQHKQRW-YVMONPNESA-N 1 0 243.375 3.893 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccsc1 ZINC000102675709 176021066 /nfs/dbraw/zinc/02/10/66/176021066.db2.gz CVIGSMQOBAKFDZ-LBPRGKRZSA-N 1 0 231.364 3.941 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccsc1 ZINC000102675711 177038893 /nfs/dbraw/zinc/03/88/93/177038893.db2.gz CVIGSMQOBAKFDZ-GFCCVEGCSA-N 1 0 231.364 3.941 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCCCC2)no1 ZINC000102768767 384575792 /nfs/dbraw/zinc/57/57/92/384575792.db2.gz VKXYYDMPUWTGMN-UHFFFAOYSA-N 1 0 236.359 3.526 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccccc2)s1 ZINC000102774579 384575686 /nfs/dbraw/zinc/57/56/86/384575686.db2.gz BQIZFJHQVLQTOV-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C/C=C/Cl ZINC000102794211 645195657 /nfs/dbraw/zinc/19/56/57/645195657.db2.gz CGWLWYXJRDKFFJ-VOTSOKGWSA-N 1 0 203.757 3.543 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000102794236 323215004 /nfs/dbraw/zinc/21/50/04/323215004.db2.gz IEFMOSLVPCMGSY-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000102794261 323214998 /nfs/dbraw/zinc/21/49/98/323214998.db2.gz DINOPMMBJVRLPL-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000103172360 585067874 /nfs/dbraw/zinc/06/78/74/585067874.db2.gz OCTRVSZNAXCHCV-UHFFFAOYSA-N 1 0 235.346 3.636 20 0 BHADRO Cc1cccc2[nH]cc(CC[NH2+]CC(C)(C)C)c21 ZINC000103172957 179208495 /nfs/dbraw/zinc/20/84/95/179208495.db2.gz BSOISIXEVUFVGG-UHFFFAOYSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1cccc2[nH]cc(CC[NH2+]C3CCCC3)c21 ZINC000103173054 179208535 /nfs/dbraw/zinc/20/85/35/179208535.db2.gz JHMBJMNYNVAWKC-UHFFFAOYSA-N 1 0 242.366 3.551 20 0 BHADRO CC(C)([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000103173311 585067876 /nfs/dbraw/zinc/06/78/76/585067876.db2.gz CNFHBIPIJZFYTP-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)o1 ZINC000103173331 585067725 /nfs/dbraw/zinc/06/77/25/585067725.db2.gz UCBCYJLNEFONMY-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1)c1ccc(F)cc1 ZINC000103173339 585067893 /nfs/dbraw/zinc/06/78/93/585067893.db2.gz VFFWFJGHAVVEOQ-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000103173345 585067869 /nfs/dbraw/zinc/06/78/69/585067869.db2.gz ZIOSQMOAAMSJNC-UHFFFAOYSA-N 1 0 243.325 3.851 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000103173517 323245615 /nfs/dbraw/zinc/24/56/15/323245615.db2.gz LIYUYFYIDMXZDU-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000103173519 323245582 /nfs/dbraw/zinc/24/55/82/323245582.db2.gz LIYUYFYIDMXZDU-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000103173521 323245880 /nfs/dbraw/zinc/24/58/80/323245880.db2.gz LIYUYFYIDMXZDU-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000103173523 323245877 /nfs/dbraw/zinc/24/58/77/323245877.db2.gz LIYUYFYIDMXZDU-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000103225383 174178923 /nfs/dbraw/zinc/17/89/23/174178923.db2.gz AIOXRKLIFPBICA-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000103225386 174178476 /nfs/dbraw/zinc/17/84/76/174178476.db2.gz AIOXRKLIFPBICA-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[N@H+](CCCCCOC)Cc1ccccc1 ZINC000103225447 323245977 /nfs/dbraw/zinc/24/59/77/323245977.db2.gz ZUXOKDCRBVGWKC-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO CC[N@H+](CCCCCOC)Cc1ccccc1C ZINC000103225905 323246235 /nfs/dbraw/zinc/24/62/35/323246235.db2.gz MCBKAOLJTDPXAA-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO COCCCCC[N@H+](Cc1ccccc1)C(C)C ZINC000103226213 174177559 /nfs/dbraw/zinc/17/75/59/174177559.db2.gz PYXNXFGTCJEYRP-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO COCCCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000103226508 323246444 /nfs/dbraw/zinc/24/64/44/323246444.db2.gz UVWUULSMWSJFHM-OAHLLOKOSA-N 1 0 249.398 3.805 20 0 BHADRO COCCCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000103226510 323246424 /nfs/dbraw/zinc/24/64/24/323246424.db2.gz UVWUULSMWSJFHM-HNNXBMFYSA-N 1 0 249.398 3.805 20 0 BHADRO COCCCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000103226599 174176342 /nfs/dbraw/zinc/17/63/42/174176342.db2.gz CPPXVAHLRFRUJR-LBPRGKRZSA-N 1 0 241.400 3.558 20 0 BHADRO COCCCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000103226601 174175464 /nfs/dbraw/zinc/17/54/64/174175464.db2.gz CPPXVAHLRFRUJR-GFCCVEGCSA-N 1 0 241.400 3.558 20 0 BHADRO COCCCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000103228213 491062572 /nfs/dbraw/zinc/06/25/72/491062572.db2.gz JSEUYSSGDMVVPA-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO c1csc(CC[N@H+](C2CC2)C2CCCC2)c1 ZINC000103465952 585104785 /nfs/dbraw/zinc/10/47/85/585104785.db2.gz HUGAVSATPGFIFQ-UHFFFAOYSA-N 1 0 235.396 3.698 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000103468971 384774223 /nfs/dbraw/zinc/77/42/23/384774223.db2.gz VKJFYODRPXSREL-MRXNPFEDSA-N 1 0 240.350 3.660 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000103468972 384774985 /nfs/dbraw/zinc/77/49/85/384774985.db2.gz VKJFYODRPXSREL-INIZCTEOSA-N 1 0 240.350 3.660 20 0 BHADRO CC(C)[N@H+](CCc1ccncc1)C1CCCCC1 ZINC000103479131 384776395 /nfs/dbraw/zinc/77/63/95/384776395.db2.gz MTPZQHPPGFTNSD-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CC(C)[N@H+](CCc1ccccn1)C1CCCCC1 ZINC000103479134 384776949 /nfs/dbraw/zinc/77/69/49/384776949.db2.gz LXAGZHJNFJPXIG-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103958556 169013517 /nfs/dbraw/zinc/01/35/17/169013517.db2.gz XSCXWZJZISJNGM-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103958561 346531071 /nfs/dbraw/zinc/53/10/71/346531071.db2.gz XSCXWZJZISJNGM-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103958564 169012610 /nfs/dbraw/zinc/01/26/10/169012610.db2.gz XSCXWZJZISJNGM-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103958570 346530948 /nfs/dbraw/zinc/53/09/48/346530948.db2.gz XSCXWZJZISJNGM-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103966234 188335479 /nfs/dbraw/zinc/33/54/79/188335479.db2.gz VOALZQOSAAXPOM-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103966239 384649998 /nfs/dbraw/zinc/64/99/98/384649998.db2.gz VOALZQOSAAXPOM-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103966243 384648425 /nfs/dbraw/zinc/64/84/25/384648425.db2.gz VOALZQOSAAXPOM-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103966248 384648872 /nfs/dbraw/zinc/64/88/72/384648872.db2.gz VOALZQOSAAXPOM-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCc1cccs1 ZINC000104078722 587930120 /nfs/dbraw/zinc/93/01/20/587930120.db2.gz SBSBWYXBYMDBDB-RYUDHWBXSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1cccs1 ZINC000104078725 587930243 /nfs/dbraw/zinc/93/02/43/587930243.db2.gz SBSBWYXBYMDBDB-VXGBXAGGSA-N 1 0 223.385 3.554 20 0 BHADRO COc1cc(NC[C@H]2CCCC[C@H]2C)ccc1N ZINC000104245124 175002614 /nfs/dbraw/zinc/00/26/14/175002614.db2.gz YHSRYRQMXRBLDS-VXGBXAGGSA-N 1 0 248.370 3.516 20 0 BHADRO COc1cc(NC[C@H]2CCCC[C@@H]2C)ccc1N ZINC000104245130 175002254 /nfs/dbraw/zinc/00/22/54/175002254.db2.gz YHSRYRQMXRBLDS-NWDGAFQWSA-N 1 0 248.370 3.516 20 0 BHADRO CC(C)CCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000104310253 587952845 /nfs/dbraw/zinc/95/28/45/587952845.db2.gz TVIOANKNWHMJRE-HNNXBMFYSA-N 1 0 241.419 3.609 20 0 BHADRO CC(C)CCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000104310255 587953021 /nfs/dbraw/zinc/95/30/21/587953021.db2.gz TVIOANKNWHMJRE-OAHLLOKOSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CCCC2)cc1F ZINC000104337846 387509016 /nfs/dbraw/zinc/50/90/16/387509016.db2.gz BQZZFTIPDOOHFG-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCCCC2)cc1F ZINC000104345294 387510134 /nfs/dbraw/zinc/51/01/34/387510134.db2.gz FOJFTRJSBWVOOA-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CC1([NH2+]Cc2ccnc3ccccc23)CCCC1 ZINC000104408052 168064146 /nfs/dbraw/zinc/06/41/46/168064146.db2.gz GQJPPJCCQCZSQM-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000104418999 169370389 /nfs/dbraw/zinc/37/03/89/169370389.db2.gz HBKAULHRKRRXGN-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000104419001 387493331 /nfs/dbraw/zinc/49/33/31/387493331.db2.gz HBKAULHRKRRXGN-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccnc2ccccc12 ZINC000104423395 388582608 /nfs/dbraw/zinc/58/26/08/388582608.db2.gz IDXCLXMLLKIBNP-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000104430023 168299026 /nfs/dbraw/zinc/29/90/26/168299026.db2.gz KPADBCBPHZLUOB-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCOC1CCCC1 ZINC000104441394 323274225 /nfs/dbraw/zinc/27/42/25/323274225.db2.gz AMWRWALKCDXFJL-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCOC1CCCC1 ZINC000104441397 171296087 /nfs/dbraw/zinc/29/60/87/171296087.db2.gz AMWRWALKCDXFJL-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCOC1CCCC1 ZINC000104441402 170854707 /nfs/dbraw/zinc/85/47/07/170854707.db2.gz AMWRWALKCDXFJL-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCOC1CCCC1 ZINC000104441406 171299199 /nfs/dbraw/zinc/29/91/99/171299199.db2.gz AMWRWALKCDXFJL-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CC1(C)CCCC1 ZINC000104442283 178085974 /nfs/dbraw/zinc/08/59/74/178085974.db2.gz IOPDSJAQSDUFKB-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000104686070 323285984 /nfs/dbraw/zinc/28/59/84/323285984.db2.gz LPQBBFUPOIDYRB-LLVKDONJSA-N 1 0 246.329 3.604 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000104686073 323285803 /nfs/dbraw/zinc/28/58/03/323285803.db2.gz LPQBBFUPOIDYRB-NSHDSACASA-N 1 0 246.329 3.604 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000104688239 323285607 /nfs/dbraw/zinc/28/56/07/323285607.db2.gz CUMMSQQZRRXKET-SNVBAGLBSA-N 1 0 243.297 3.518 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000104688242 323285585 /nfs/dbraw/zinc/28/55/85/323285585.db2.gz CUMMSQQZRRXKET-JTQLQIEISA-N 1 0 243.297 3.518 20 0 BHADRO CCCCc1nc(C[N@H+](C)[C@@H](C)CC)cs1 ZINC000104688264 384703875 /nfs/dbraw/zinc/70/38/75/384703875.db2.gz OCWXEXZTRXIVLC-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CC(C)OCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104699469 167245335 /nfs/dbraw/zinc/24/53/35/167245335.db2.gz DPLWARNWHIKYHU-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)OCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104699473 167243730 /nfs/dbraw/zinc/24/37/30/167243730.db2.gz DPLWARNWHIKYHU-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)nc1 ZINC000104946818 323300339 /nfs/dbraw/zinc/30/03/39/323300339.db2.gz SGHSUXMTQBVRSP-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO c1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)nc1 ZINC000104946820 323300214 /nfs/dbraw/zinc/30/02/14/323300214.db2.gz SGHSUXMTQBVRSP-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO C[N@H+](Cc1ccccn1)C1CCCCCCC1 ZINC000104949779 645255572 /nfs/dbraw/zinc/25/55/72/645255572.db2.gz JMAYATQURRZSFE-UHFFFAOYSA-N 1 0 232.371 3.626 20 0 BHADRO c1ccc(C[N@@H+](CC2CC2)C2CCCCC2)nc1 ZINC000104959527 183396590 /nfs/dbraw/zinc/39/65/90/183396590.db2.gz JLKCNGJNZHYJGO-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCCCCOC)C1CC1 ZINC000104967086 358552839 /nfs/dbraw/zinc/55/28/39/358552839.db2.gz GBHWCJHMJBLVKD-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCCCCOC)C1CC1 ZINC000104967089 358553111 /nfs/dbraw/zinc/55/31/11/358553111.db2.gz GBHWCJHMJBLVKD-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCCCCOC)C1CC1 ZINC000104967093 358552875 /nfs/dbraw/zinc/55/28/75/358552875.db2.gz GBHWCJHMJBLVKD-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCCCCOC)C1CC1 ZINC000104967095 358553094 /nfs/dbraw/zinc/55/30/94/358553094.db2.gz GBHWCJHMJBLVKD-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCc1ccncc1)C1CC1 ZINC000104967831 384854886 /nfs/dbraw/zinc/85/48/86/384854886.db2.gz QMWMBQPUGAGWRS-ZIAGYGMSSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCc1ccncc1)C1CC1 ZINC000104967836 171361758 /nfs/dbraw/zinc/36/17/58/171361758.db2.gz QMWMBQPUGAGWRS-UONOGXRCSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCc1ccncc1)C1CC1 ZINC000104967842 384852798 /nfs/dbraw/zinc/85/27/98/384852798.db2.gz QMWMBQPUGAGWRS-KGLIPLIRSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCc1ccncc1)C1CC1 ZINC000104967846 171385757 /nfs/dbraw/zinc/38/57/57/171385757.db2.gz QMWMBQPUGAGWRS-KBPBESRZSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCc1ccccn1)C1CC1 ZINC000104967922 384726330 /nfs/dbraw/zinc/72/63/30/384726330.db2.gz CXLNDEFYUOOYNL-ZIAGYGMSSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCc1ccccn1)C1CC1 ZINC000104967925 171361542 /nfs/dbraw/zinc/36/15/42/171361542.db2.gz CXLNDEFYUOOYNL-UONOGXRCSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCc1ccccn1)C1CC1 ZINC000104967928 384727210 /nfs/dbraw/zinc/72/72/10/384727210.db2.gz CXLNDEFYUOOYNL-KGLIPLIRSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCc1ccccn1)C1CC1 ZINC000104967929 171386445 /nfs/dbraw/zinc/38/64/45/171386445.db2.gz CXLNDEFYUOOYNL-KBPBESRZSA-N 1 0 246.398 3.523 20 0 BHADRO c1ccc([C@H]([NH2+]CC2CC2)C2CCC2)cc1 ZINC000105430598 346624917 /nfs/dbraw/zinc/62/49/17/346624917.db2.gz WWPZJYLSLDEATH-HNNXBMFYSA-N 1 0 215.340 3.527 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2CC2)C2CCC2)cc1 ZINC000105430600 398112209 /nfs/dbraw/zinc/11/22/09/398112209.db2.gz WWPZJYLSLDEATH-OAHLLOKOSA-N 1 0 215.340 3.527 20 0 BHADRO c1coc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000105430824 588169103 /nfs/dbraw/zinc/16/91/03/588169103.db2.gz ATIFJTWINPAIQN-INIZCTEOSA-N 1 0 241.334 3.911 20 0 BHADRO c1coc(C[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000105430827 588169020 /nfs/dbraw/zinc/16/90/20/588169020.db2.gz ATIFJTWINPAIQN-MRXNPFEDSA-N 1 0 241.334 3.911 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000105444521 359702178 /nfs/dbraw/zinc/70/21/78/359702178.db2.gz POHPLXRFKCRHBW-NADMHLTPSA-N 1 0 249.357 3.629 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@H]1Cc2ccccc21 ZINC000105444524 358943323 /nfs/dbraw/zinc/94/33/23/358943323.db2.gz POHPLXRFKCRHBW-RCMYXZNBSA-N 1 0 249.357 3.629 20 0 BHADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCCCCC1 ZINC000105447578 588173785 /nfs/dbraw/zinc/17/37/85/588173785.db2.gz YDXZLPOCPOHVJI-ZDUSSCGKSA-N 1 0 247.382 3.636 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCCCCC1 ZINC000105447580 187207318 /nfs/dbraw/zinc/20/73/18/187207318.db2.gz YDXZLPOCPOHVJI-CYBMUJFWSA-N 1 0 247.382 3.636 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105462172 398114102 /nfs/dbraw/zinc/11/41/02/398114102.db2.gz BHSRYEQLYVEURC-OAHLLOKOSA-N 1 0 245.366 3.631 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105462175 398114156 /nfs/dbraw/zinc/11/41/56/398114156.db2.gz BHSRYEQLYVEURC-HNNXBMFYSA-N 1 0 245.366 3.631 20 0 BHADRO COc1ccc(C(C)(C)C[NH2+]C2CCCC2)cc1 ZINC000105463338 588173974 /nfs/dbraw/zinc/17/39/74/588173974.db2.gz PYERJRFOZHTRPK-UHFFFAOYSA-N 1 0 247.382 3.505 20 0 BHADRO CC(C)(Cc1ccccc1Cl)[NH2+]CC1CC1 ZINC000105492092 359703182 /nfs/dbraw/zinc/70/31/82/359703182.db2.gz FMRPJBIUVNQITM-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccco1 ZINC000105492217 359703146 /nfs/dbraw/zinc/70/31/46/359703146.db2.gz SAZMJIBSJMBWIS-UHFFFAOYSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3C)o1 ZINC000105496990 359702744 /nfs/dbraw/zinc/70/27/44/359702744.db2.gz LTDMYMLCUGVFJO-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)o1 ZINC000105496992 359703042 /nfs/dbraw/zinc/70/30/42/359703042.db2.gz LTDMYMLCUGVFJO-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1nc(C)cs1 ZINC000105502786 359703419 /nfs/dbraw/zinc/70/34/19/359703419.db2.gz KCGOHJLNFHXRAS-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1nc(C)cs1 ZINC000105502788 359024605 /nfs/dbraw/zinc/02/46/05/359024605.db2.gz KCGOHJLNFHXRAS-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO CC(C)c1nc(C[NH2+][C@H]2CCC[C@H]2C)cs1 ZINC000105504860 167664687 /nfs/dbraw/zinc/66/46/87/167664687.db2.gz HVVRJFWABOCKJZ-PWSUYJOCSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1nc(C[NH2+][C@H]2CCC[C@@H]2C)cs1 ZINC000105504864 588185543 /nfs/dbraw/zinc/18/55/43/588185543.db2.gz HVVRJFWABOCKJZ-JQWIXIFHSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1nc(C[NH2+][C@@H]2CCC[C@H]2C)cs1 ZINC000105504868 588186082 /nfs/dbraw/zinc/18/60/82/588186082.db2.gz HVVRJFWABOCKJZ-ZYHUDNBSSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1nc(C[NH2+][C@@H]2CCC[C@@H]2C)cs1 ZINC000105504871 588185870 /nfs/dbraw/zinc/18/58/70/588185870.db2.gz HVVRJFWABOCKJZ-CMPLNLGQSA-N 1 0 238.400 3.545 20 0 BHADRO c1ccc(C(C[NH2+]C2CC2)c2ccccc2)cc1 ZINC000105802519 411074730 /nfs/dbraw/zinc/07/47/30/411074730.db2.gz SCVOYDDVHGVGGM-UHFFFAOYSA-N 1 0 237.346 3.571 20 0 BHADRO Cc1ccsc1C[NH2+]CCc1ccccc1C ZINC000105812816 323820961 /nfs/dbraw/zinc/82/09/61/323820961.db2.gz MKTAOWSKODWOQS-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccccc2C)s1 ZINC000105812845 387931568 /nfs/dbraw/zinc/93/15/68/387931568.db2.gz FRKCZKCDRNQOMK-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO CC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000105972878 170140974 /nfs/dbraw/zinc/14/09/74/170140974.db2.gz UGRXDWOJLRFOLX-JTQLQIEISA-N 1 0 233.311 3.502 20 0 BHADRO CC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000105972880 170159284 /nfs/dbraw/zinc/15/92/84/170159284.db2.gz UGRXDWOJLRFOLX-SNVBAGLBSA-N 1 0 233.311 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)CC2)cc1 ZINC000106199494 387950938 /nfs/dbraw/zinc/95/09/38/387950938.db2.gz XZEPKLPFKFNVBO-CTYIDZIISA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC000106199501 179284941 /nfs/dbraw/zinc/28/49/41/179284941.db2.gz KVUCCQLIOGQEPZ-NNUKFRKNSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106199505 387949877 /nfs/dbraw/zinc/94/98/77/387949877.db2.gz XCBKIMIVGDEYNC-NNUKFRKNSA-N 1 0 217.356 3.663 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C)c(O)c(C)c1 ZINC000106199875 387951182 /nfs/dbraw/zinc/95/11/82/387951182.db2.gz BFBWBTXYHLONCU-UHFFFAOYSA-N 1 0 235.371 3.631 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)CC2)s1 ZINC000106204629 387951088 /nfs/dbraw/zinc/95/10/88/387951088.db2.gz ASQZGSJNRGIOKH-UMSPYCQHSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC000106209922 177193191 /nfs/dbraw/zinc/19/31/91/177193191.db2.gz MXOZQHLTEYLLIH-PHVFEOKPSA-N 1 0 229.367 3.868 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1C ZINC000106211792 387950217 /nfs/dbraw/zinc/95/02/17/387950217.db2.gz HQUPKRBIHAHALH-YGUOUDRMSA-N 1 0 231.383 3.972 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)CC2)cc1F ZINC000106217232 384904820 /nfs/dbraw/zinc/90/48/20/384904820.db2.gz GUBSXAKBJCEOKS-YEORSEQZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C)CC2)ccc1F ZINC000106217236 178035572 /nfs/dbraw/zinc/03/55/72/178035572.db2.gz YOYBNJCARQBTSB-YEORSEQZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC000106217245 178087006 /nfs/dbraw/zinc/08/70/06/178087006.db2.gz GGEQMUAOUKXKDT-FUKZOUPISA-N 1 0 235.346 3.802 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000106222756 177193093 /nfs/dbraw/zinc/19/30/93/177193093.db2.gz MKORCRJNMDLVHR-MJHDQNEOSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000106222759 387950774 /nfs/dbraw/zinc/95/07/74/387950774.db2.gz JDHVMNMUAPDWTB-MJHDQNEOSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000106222763 177193490 /nfs/dbraw/zinc/19/34/90/177193490.db2.gz XARWZTGOWNDIPS-UMSPYCQHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)CC1 ZINC000106222766 177192995 /nfs/dbraw/zinc/19/29/95/177192995.db2.gz UWLSXTUWAASFDQ-XYPYZODXSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000106222771 177193614 /nfs/dbraw/zinc/19/36/14/177193614.db2.gz DQBJXJVMPPSQTD-YPFXGUDJSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000106227174 177193536 /nfs/dbraw/zinc/19/35/36/177193536.db2.gz YHLYRYYOKOECRI-NNUKFRKNSA-N 1 0 242.366 3.836 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC000106237446 170592980 /nfs/dbraw/zinc/59/29/80/170592980.db2.gz JYWFKCLRMZSTEA-CTYIDZIISA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)CC2)cc1 ZINC000106237450 387950861 /nfs/dbraw/zinc/95/08/61/387950861.db2.gz HVPYXLRINHLQSG-CTYIDZIISA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106237454 387951193 /nfs/dbraw/zinc/95/11/93/387951193.db2.gz YRPHCNWQFHNYQY-CTYIDZIISA-N 1 0 247.382 3.754 20 0 BHADRO c1ccc(CCC[NH+]2Cc3ccccc3C2)cc1 ZINC000106303830 323830507 /nfs/dbraw/zinc/83/05/07/323830507.db2.gz WBFFJQOMRCILCG-UHFFFAOYSA-N 1 0 237.346 3.635 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1Cc2ccccc2C1 ZINC000106303891 387949954 /nfs/dbraw/zinc/94/99/54/387949954.db2.gz OMTJCLULKGYANB-RMKNXTFCSA-N 1 0 235.330 3.716 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cccs2)cc1F ZINC000106409774 588279553 /nfs/dbraw/zinc/27/95/53/588279553.db2.gz TUPOVCONPQUGDZ-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000106409945 384916732 /nfs/dbraw/zinc/91/67/32/384916732.db2.gz RTIDFIXVGSVPCR-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000106409948 384917705 /nfs/dbraw/zinc/91/77/05/384917705.db2.gz RTIDFIXVGSVPCR-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)o1 ZINC000106477293 323836208 /nfs/dbraw/zinc/83/62/08/323836208.db2.gz YZPIVMVIBLNDSR-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)o1 ZINC000106477295 387964584 /nfs/dbraw/zinc/96/45/84/387964584.db2.gz YZPIVMVIBLNDSR-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000106479667 388595540 /nfs/dbraw/zinc/59/55/40/388595540.db2.gz XLWVEGIOWQRZFB-QGZVFWFLSA-N 1 0 237.346 3.772 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000106479670 388595666 /nfs/dbraw/zinc/59/56/66/388595666.db2.gz XLWVEGIOWQRZFB-KRWDZBQOSA-N 1 0 237.346 3.772 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc2ncccc2c1 ZINC000106479890 323836528 /nfs/dbraw/zinc/83/65/28/323836528.db2.gz OPAZZTOHVLAQRT-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc2cccnc21 ZINC000106480035 387963686 /nfs/dbraw/zinc/96/36/86/387963686.db2.gz UZDJFAUNOYLDSK-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(C)C)s1 ZINC000106876028 385538936 /nfs/dbraw/zinc/53/89/36/385538936.db2.gz QBHNQXOTVKHHEL-LLVKDONJSA-N 1 0 240.416 3.799 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(C)C)s1 ZINC000106876030 385537936 /nfs/dbraw/zinc/53/79/36/385537936.db2.gz QBHNQXOTVKHHEL-NSHDSACASA-N 1 0 240.416 3.799 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106876105 384937887 /nfs/dbraw/zinc/93/78/87/384937887.db2.gz XPSGUXIIFKLSIO-LLVKDONJSA-N 1 0 238.400 3.719 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106876106 384936429 /nfs/dbraw/zinc/93/64/29/384936429.db2.gz XPSGUXIIFKLSIO-NSHDSACASA-N 1 0 238.400 3.719 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106876549 384937345 /nfs/dbraw/zinc/93/73/45/384937345.db2.gz ABFCFTQMXADUAA-JTQLQIEISA-N 1 0 226.389 3.553 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106876552 384935350 /nfs/dbraw/zinc/93/53/50/384935350.db2.gz ABFCFTQMXADUAA-SNVBAGLBSA-N 1 0 226.389 3.553 20 0 BHADRO CC(C)n1ccnc1C[N@H+](C)C1CCCCCC1 ZINC000107298102 385561926 /nfs/dbraw/zinc/56/19/26/385561926.db2.gz UJLBFFXGJWZERI-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccn2)c1 ZINC000107319841 384961359 /nfs/dbraw/zinc/96/13/59/384961359.db2.gz MDTVGGJTIUTPNQ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccn2)c1 ZINC000107319843 384963118 /nfs/dbraw/zinc/96/31/18/384963118.db2.gz MDTVGGJTIUTPNQ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCSCC2)c1 ZINC000107319925 588346645 /nfs/dbraw/zinc/34/66/45/588346645.db2.gz OCBUCKHPNBTJGK-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCSCC2)c1 ZINC000107319927 177917729 /nfs/dbraw/zinc/91/77/29/177917729.db2.gz OCBUCKHPNBTJGK-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000107320084 384961620 /nfs/dbraw/zinc/96/16/20/384961620.db2.gz RZMZLCBQPIODFM-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000107320087 384960824 /nfs/dbraw/zinc/96/08/24/384960824.db2.gz RZMZLCBQPIODFM-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccnc2)c1 ZINC000107320125 384960799 /nfs/dbraw/zinc/96/07/99/384960799.db2.gz OJKWDNTXHRJRJX-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccnc2)c1 ZINC000107320127 384963551 /nfs/dbraw/zinc/96/35/51/384963551.db2.gz OJKWDNTXHRJRJX-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccncc2)c1 ZINC000107320238 384962320 /nfs/dbraw/zinc/96/23/20/384962320.db2.gz FCGWFABCTGFYFL-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccncc2)c1 ZINC000107320240 384963104 /nfs/dbraw/zinc/96/31/04/384963104.db2.gz FCGWFABCTGFYFL-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO c1ccc(OC2CCCC2)c(C[NH2+]C2CCC2)c1 ZINC000107322785 398182038 /nfs/dbraw/zinc/18/20/38/398182038.db2.gz JDOKXPAXVVOHFQ-UHFFFAOYSA-N 1 0 245.366 3.650 20 0 BHADRO C1CC1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000107445269 385203416 /nfs/dbraw/zinc/20/34/16/385203416.db2.gz QABUNNHBOCIDAH-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO CC(C)(C)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000107714196 588400579 /nfs/dbraw/zinc/40/05/79/588400579.db2.gz AYGPLZZNRYYEPZ-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO CC[C@](C)([NH2+]Cc1nccs1)c1ccccc1 ZINC000107717479 588400909 /nfs/dbraw/zinc/40/09/09/588400909.db2.gz SKQSOLHBPFMZCT-AWEZNQCLSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@@](C)([NH2+]Cc1nccs1)c1ccccc1 ZINC000107717484 588401053 /nfs/dbraw/zinc/40/10/53/588401053.db2.gz SKQSOLHBPFMZCT-CQSZACIVSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccco1)c1ccccc1 ZINC000107717642 588400971 /nfs/dbraw/zinc/40/09/71/588400971.db2.gz XPUUNUNMTHALTK-HNNXBMFYSA-N 1 0 229.323 3.695 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccco1)c1ccccc1 ZINC000107717644 588401019 /nfs/dbraw/zinc/40/10/19/588401019.db2.gz XPUUNUNMTHALTK-OAHLLOKOSA-N 1 0 229.323 3.695 20 0 BHADRO CC[NH+](CC)Cc1ccc(NCC(C)C)cc1 ZINC000107791039 322862763 /nfs/dbraw/zinc/86/27/63/322862763.db2.gz JFLYBJYDYUXESW-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO CC[NH+](CC)Cc1ccc(NCC(C)(C)C)cc1 ZINC000107791050 322862470 /nfs/dbraw/zinc/86/24/70/322862470.db2.gz AASVQDLCYUFSMG-UHFFFAOYSA-N 1 0 248.414 3.986 20 0 BHADRO COc1cccc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000107791061 385002358 /nfs/dbraw/zinc/00/23/58/385002358.db2.gz OIJSVBRTBWMSLO-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO [NH3+]Cc1ccc(NCCC2CCCCC2)cc1 ZINC000107796923 322862542 /nfs/dbraw/zinc/86/25/42/322862542.db2.gz MBWGPGZJHBKESZ-UHFFFAOYSA-N 1 0 232.371 3.528 20 0 BHADRO CC[N@H+](Cc1cc(C)c(O)c(C)c1)C1CCCC1 ZINC000108105901 388014597 /nfs/dbraw/zinc/01/45/97/388014597.db2.gz YNKOTXZKQVMVMA-UHFFFAOYSA-N 1 0 247.382 3.774 20 0 BHADRO CCC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000108106125 323861485 /nfs/dbraw/zinc/86/14/85/323861485.db2.gz OCDJRYZTTUKTHB-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCc2ccccc2C1 ZINC000108190035 369380119 /nfs/dbraw/zinc/38/01/19/369380119.db2.gz NGTBVPMVXAYHJZ-TWGQIWQCSA-N 1 0 249.357 3.758 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC2CCCC2)cc1 ZINC000108256744 384783142 /nfs/dbraw/zinc/78/31/42/384783142.db2.gz ZZHRVTUCHLMIJU-UHFFFAOYSA-N 1 0 246.398 3.883 20 0 BHADRO Cc1ncc(C[N@@H+](C(C)C)C2CCCC2)s1 ZINC000108364660 180138028 /nfs/dbraw/zinc/13/80/28/180138028.db2.gz XLLZEFNMHYJMPW-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385676 344503094 /nfs/dbraw/zinc/50/30/94/344503094.db2.gz HOVQEZBPTVNJBX-OAHLLOKOSA-N 1 0 228.339 3.715 20 0 BHADRO CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385679 344503178 /nfs/dbraw/zinc/50/31/78/344503178.db2.gz HOVQEZBPTVNJBX-HNNXBMFYSA-N 1 0 228.339 3.715 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000108878247 388060538 /nfs/dbraw/zinc/06/05/38/388060538.db2.gz BVKLDWLJXYNXCP-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000108878249 323886202 /nfs/dbraw/zinc/88/62/02/323886202.db2.gz BVKLDWLJXYNXCP-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000108878252 323885915 /nfs/dbraw/zinc/88/59/15/323885915.db2.gz BVKLDWLJXYNXCP-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000108878254 323886581 /nfs/dbraw/zinc/88/65/81/323886581.db2.gz BVKLDWLJXYNXCP-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000108879624 171808222 /nfs/dbraw/zinc/80/82/22/171808222.db2.gz RDJLDPLGPKPOBO-JTQLQIEISA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2(C)CC2)s1 ZINC000108879625 385243057 /nfs/dbraw/zinc/24/30/57/385243057.db2.gz RDJLDPLGPKPOBO-SNVBAGLBSA-N 1 0 223.385 3.589 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000108942800 322812700 /nfs/dbraw/zinc/81/27/00/322812700.db2.gz LXHDCBHRGJIKQP-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000108942802 322812882 /nfs/dbraw/zinc/81/28/82/322812882.db2.gz LXHDCBHRGJIKQP-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO CCC[N@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000109315507 588543454 /nfs/dbraw/zinc/54/34/54/588543454.db2.gz VDZHKKFVSAHPBY-UHFFFAOYSA-N 1 0 246.379 3.670 20 0 BHADRO c1ccc(SC2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000109352625 588547939 /nfs/dbraw/zinc/54/79/39/588547939.db2.gz KCEGYLBWVCZHKE-UHFFFAOYSA-N 1 0 247.407 3.844 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000109365236 176132158 /nfs/dbraw/zinc/13/21/58/176132158.db2.gz WAZBFVVZTGQQCQ-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000109365238 177127128 /nfs/dbraw/zinc/12/71/28/177127128.db2.gz WAZBFVVZTGQQCQ-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000109365241 176150901 /nfs/dbraw/zinc/15/09/01/176150901.db2.gz WAZBFVVZTGQQCQ-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000109365244 177142553 /nfs/dbraw/zinc/14/25/53/177142553.db2.gz WAZBFVVZTGQQCQ-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000109430641 168406718 /nfs/dbraw/zinc/40/67/18/168406718.db2.gz YZYCXHSJWSIXGN-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000109430643 588562364 /nfs/dbraw/zinc/56/23/64/588562364.db2.gz YZYCXHSJWSIXGN-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000109430646 168406286 /nfs/dbraw/zinc/40/62/86/168406286.db2.gz YZYCXHSJWSIXGN-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000109430649 588562058 /nfs/dbraw/zinc/56/20/58/588562058.db2.gz YZYCXHSJWSIXGN-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C(C)C)cc(C)c1O ZINC000109477947 384526127 /nfs/dbraw/zinc/52/61/27/384526127.db2.gz UWQUVUNIRXVFSK-OAHLLOKOSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C(C)C)cc(C)c1O ZINC000109477950 384525832 /nfs/dbraw/zinc/52/58/32/384525832.db2.gz UWQUVUNIRXVFSK-HNNXBMFYSA-N 1 0 247.382 3.629 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000109542970 368639882 /nfs/dbraw/zinc/63/98/82/368639882.db2.gz VAYQUZBJZJEIKN-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000109542974 368639757 /nfs/dbraw/zinc/63/97/57/368639757.db2.gz VAYQUZBJZJEIKN-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000109542976 342964357 /nfs/dbraw/zinc/96/43/57/342964357.db2.gz VAYQUZBJZJEIKN-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000109542980 384561984 /nfs/dbraw/zinc/56/19/84/384561984.db2.gz VAYQUZBJZJEIKN-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cccs1 ZINC000110058772 181004806 /nfs/dbraw/zinc/00/48/06/181004806.db2.gz SZRGAKFGNMAXAQ-AWEZNQCLSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cccs1 ZINC000110058776 181006668 /nfs/dbraw/zinc/00/66/68/181006668.db2.gz SZRGAKFGNMAXAQ-CQSZACIVSA-N 1 0 247.338 3.664 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)o1 ZINC000110058795 385206119 /nfs/dbraw/zinc/20/61/19/385206119.db2.gz HNYXIMHUPCICPZ-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)o1 ZINC000110058798 385206346 /nfs/dbraw/zinc/20/63/46/385206346.db2.gz HNYXIMHUPCICPZ-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccsc1 ZINC000110058815 490396599 /nfs/dbraw/zinc/39/65/99/490396599.db2.gz XEQSHMHEOFUVFA-AWEZNQCLSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccsc1 ZINC000110058820 490396306 /nfs/dbraw/zinc/39/63/06/490396306.db2.gz XEQSHMHEOFUVFA-CQSZACIVSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1 ZINC000110058831 323112696 /nfs/dbraw/zinc/11/26/96/323112696.db2.gz AYZKXQVIQRNBJC-MRXNPFEDSA-N 1 0 241.309 3.603 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000110058834 323112913 /nfs/dbraw/zinc/11/29/13/323112913.db2.gz AYZKXQVIQRNBJC-INIZCTEOSA-N 1 0 241.309 3.603 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2cccnc21)C1(C)CC1 ZINC000110060212 323112888 /nfs/dbraw/zinc/11/28/88/323112888.db2.gz NRBJQRUKVDXUSI-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cccnc21)C1(C)CC1 ZINC000110060215 385206397 /nfs/dbraw/zinc/20/63/97/385206397.db2.gz NRBJQRUKVDXUSI-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C(C)(C)C)cc2c(C)c1 ZINC000110476220 323146505 /nfs/dbraw/zinc/14/65/05/323146505.db2.gz DZFWLRPBRZDJIH-UHFFFAOYSA-N 1 0 230.355 3.673 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CC(C)C)cc2c(C)c1 ZINC000110476223 323146569 /nfs/dbraw/zinc/14/65/69/323146569.db2.gz GBXNJOZSVHAPNB-UHFFFAOYSA-N 1 0 230.355 3.530 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1F)[C@H]1C=CCCC1 ZINC000110929540 323155297 /nfs/dbraw/zinc/15/52/97/323155297.db2.gz SXYIHKCULRHTDB-ZDUSSCGKSA-N 1 0 237.293 3.505 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1C=CCCC1 ZINC000110929542 323155280 /nfs/dbraw/zinc/15/52/80/323155280.db2.gz SXYIHKCULRHTDB-CYBMUJFWSA-N 1 0 237.293 3.505 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)[C@H]1C=CCCC1 ZINC000110935766 370001479 /nfs/dbraw/zinc/00/14/79/370001479.db2.gz YKJIXEJGHWEIOH-JTQLQIEISA-N 1 0 241.787 3.942 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1C=CCCC1 ZINC000110935769 370001162 /nfs/dbraw/zinc/00/11/62/370001162.db2.gz YKJIXEJGHWEIOH-SNVBAGLBSA-N 1 0 241.787 3.942 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1C=CCCC1 ZINC000110936337 370001813 /nfs/dbraw/zinc/00/18/13/370001813.db2.gz QMRDHXLDRYLZGW-STQMWFEESA-N 1 0 233.330 3.927 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)[C@H]1C=CCCC1 ZINC000110936340 370001404 /nfs/dbraw/zinc/00/14/04/370001404.db2.gz QMRDHXLDRYLZGW-OLZOCXBDSA-N 1 0 233.330 3.927 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000110938323 370001841 /nfs/dbraw/zinc/00/18/41/370001841.db2.gz AKEFYLUVCUECCA-NEPJUHHUSA-N 1 0 233.380 3.776 20 0 BHADRO C[C@H]1c2ccsc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000110938328 370001671 /nfs/dbraw/zinc/00/16/71/370001671.db2.gz AKEFYLUVCUECCA-RYUDHWBXSA-N 1 0 233.380 3.776 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000110938981 323154843 /nfs/dbraw/zinc/15/48/43/323154843.db2.gz LRHCAMNHZDYNDA-WFASDCNBSA-N 1 0 233.330 3.927 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000110938984 323154837 /nfs/dbraw/zinc/15/48/37/323154837.db2.gz LRHCAMNHZDYNDA-DOMZBBRYSA-N 1 0 233.330 3.927 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccsc2)cc1F ZINC000110976546 385497837 /nfs/dbraw/zinc/49/78/37/385497837.db2.gz ALRWMELOTMALCC-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000111190309 370103799 /nfs/dbraw/zinc/10/37/99/370103799.db2.gz AHUWYSKSRZTDSF-HOTGVXAUSA-N 1 0 227.351 3.932 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000111190311 370104264 /nfs/dbraw/zinc/10/42/64/370104264.db2.gz AHUWYSKSRZTDSF-JKSUJKDBSA-N 1 0 227.351 3.932 20 0 BHADRO C[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C=CCCC1 ZINC000111190490 370103557 /nfs/dbraw/zinc/10/35/57/370103557.db2.gz JGHAETURACUPES-GOEBONIOSA-N 1 0 227.351 3.714 20 0 BHADRO C[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C=CCCC1 ZINC000111190492 370104423 /nfs/dbraw/zinc/10/44/23/370104423.db2.gz JGHAETURACUPES-GDBMZVCRSA-N 1 0 227.351 3.714 20 0 BHADRO c1ccc(C2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000111190587 370103955 /nfs/dbraw/zinc/10/39/55/370103955.db2.gz JLCHUAAPKNCEPW-KRWDZBQOSA-N 1 0 241.378 3.975 20 0 BHADRO c1ccc(C2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000111190589 370104395 /nfs/dbraw/zinc/10/43/95/370104395.db2.gz JLCHUAAPKNCEPW-QGZVFWFLSA-N 1 0 241.378 3.975 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000111205373 179069009 /nfs/dbraw/zinc/06/90/09/179069009.db2.gz CJBXDDOLRJNELT-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccncc2)c1 ZINC000111205374 179069989 /nfs/dbraw/zinc/06/99/89/179069989.db2.gz CJBXDDOLRJNELT-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000111233859 323157415 /nfs/dbraw/zinc/15/74/15/323157415.db2.gz VBUNHYGJMOYUDY-AWEZNQCLSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CCCc2ccccc21 ZINC000111233860 323157373 /nfs/dbraw/zinc/15/73/73/323157373.db2.gz VBUNHYGJMOYUDY-CQSZACIVSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1 ZINC000111239270 176019484 /nfs/dbraw/zinc/01/94/84/176019484.db2.gz UCXGVKPIGHYQTM-ZDUSSCGKSA-N 1 0 241.334 3.585 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1 ZINC000111239272 177037475 /nfs/dbraw/zinc/03/74/75/177037475.db2.gz UCXGVKPIGHYQTM-CYBMUJFWSA-N 1 0 241.334 3.585 20 0 BHADRO COCCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000111246568 323157832 /nfs/dbraw/zinc/15/78/32/323157832.db2.gz AEGWJQWNTCAZGG-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000111246570 323157815 /nfs/dbraw/zinc/15/78/15/323157815.db2.gz AEGWJQWNTCAZGG-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc2cccnc21 ZINC000111253423 385499111 /nfs/dbraw/zinc/49/91/11/385499111.db2.gz VXXSPISSGKNBDM-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc2cccnc21 ZINC000111253424 171273858 /nfs/dbraw/zinc/27/38/58/171273858.db2.gz VXXSPISSGKNBDM-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260606 169958344 /nfs/dbraw/zinc/95/83/44/169958344.db2.gz IBQMDJFAUANRDW-UHFFFAOYSA-N 1 0 246.329 3.506 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+](C)CC1CCC1 ZINC000111295872 176017923 /nfs/dbraw/zinc/01/79/23/176017923.db2.gz WCFPWWJFCXYRAU-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+](C)CC1CCC1 ZINC000111295874 177036105 /nfs/dbraw/zinc/03/61/05/177036105.db2.gz WCFPWWJFCXYRAU-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)CC1CCC1 ZINC000111295995 176025011 /nfs/dbraw/zinc/02/50/11/176025011.db2.gz SHZONTZPCZFTQD-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)CC1CCC1 ZINC000111295996 177041478 /nfs/dbraw/zinc/04/14/78/177041478.db2.gz SHZONTZPCZFTQD-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO c1cc(C[NH2+]C2CCCCCC2)cc2c1COC2 ZINC000111305836 368854503 /nfs/dbraw/zinc/85/45/03/368854503.db2.gz PMMAWBRNRSUFKQ-UHFFFAOYSA-N 1 0 245.366 3.529 20 0 BHADRO CC(C)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306645 323158688 /nfs/dbraw/zinc/15/86/88/323158688.db2.gz STQNJBYALHYJAN-LBPRGKRZSA-N 1 0 223.747 3.538 20 0 BHADRO CC(C)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306647 323158708 /nfs/dbraw/zinc/15/87/08/323158708.db2.gz STQNJBYALHYJAN-GFCCVEGCSA-N 1 0 223.747 3.538 20 0 BHADRO CCCC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111311572 487773161 /nfs/dbraw/zinc/77/31/61/487773161.db2.gz DCXJVDAGEZEIDA-GFCCVEGCSA-N 1 0 238.400 3.561 20 0 BHADRO CCCC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111311575 487772634 /nfs/dbraw/zinc/77/26/34/487772634.db2.gz DCXJVDAGEZEIDA-LBPRGKRZSA-N 1 0 238.400 3.561 20 0 BHADRO c1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)nc1 ZINC000111323408 183397135 /nfs/dbraw/zinc/39/71/35/183397135.db2.gz LWNBOSXTZMFOOR-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CCCCC3)C2)no1 ZINC000111323677 387542290 /nfs/dbraw/zinc/54/22/90/387542290.db2.gz GCFDTLPLKOQWPW-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000111341518 323159334 /nfs/dbraw/zinc/15/93/34/323159334.db2.gz QUPMUBKXQNRDGN-HIFRSBDPSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000111341521 323159277 /nfs/dbraw/zinc/15/92/77/323159277.db2.gz QUPMUBKXQNRDGN-ZFWWWQNUSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000111341523 323159418 /nfs/dbraw/zinc/15/94/18/323159418.db2.gz QUPMUBKXQNRDGN-UKRRQHHQSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000111341525 323159337 /nfs/dbraw/zinc/15/93/37/323159337.db2.gz QUPMUBKXQNRDGN-DZGCQCFKSA-N 1 0 231.383 3.741 20 0 BHADRO CCCC(C)(C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000111387265 323159620 /nfs/dbraw/zinc/15/96/20/323159620.db2.gz NDFADISHMLCNTN-UHFFFAOYSA-N 1 0 245.366 3.631 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000111387296 323159568 /nfs/dbraw/zinc/15/95/68/323159568.db2.gz ZBXBTXSXIWKQFN-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000111387298 323159594 /nfs/dbraw/zinc/15/95/94/323159594.db2.gz VTMOXUCIVOEEJC-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1sccc1C ZINC000111387309 323159669 /nfs/dbraw/zinc/15/96/69/323159669.db2.gz IGJFZTNYYZJGEN-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)s1 ZINC000111387312 323159553 /nfs/dbraw/zinc/15/95/53/323159553.db2.gz MXZUVSLWSUCSHB-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccco1 ZINC000111387410 323159622 /nfs/dbraw/zinc/15/96/22/323159622.db2.gz ZJQOTFNGWLMKME-UHFFFAOYSA-N 1 0 243.350 3.781 20 0 BHADRO c1cc(C[NH2+]C[C@H]2CCc3ccccc32)cs1 ZINC000111390558 588747631 /nfs/dbraw/zinc/74/76/31/588747631.db2.gz WAAXLHSJSZGXLG-CQSZACIVSA-N 1 0 243.375 3.568 20 0 BHADRO c1cc(C[NH2+]C[C@@H]2CCc3ccccc32)cs1 ZINC000111390560 588747502 /nfs/dbraw/zinc/74/75/02/588747502.db2.gz WAAXLHSJSZGXLG-AWEZNQCLSA-N 1 0 243.375 3.568 20 0 BHADRO c1csc(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000111390747 588747512 /nfs/dbraw/zinc/74/75/12/588747512.db2.gz IFNIPTMPAKAUFS-CYBMUJFWSA-N 1 0 243.375 3.568 20 0 BHADRO c1csc(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000111390750 588747590 /nfs/dbraw/zinc/74/75/90/588747590.db2.gz IFNIPTMPAKAUFS-ZDUSSCGKSA-N 1 0 243.375 3.568 20 0 BHADRO c1cc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000111398265 397906249 /nfs/dbraw/zinc/90/62/49/397906249.db2.gz GHURHSQVSUEWPW-CABCVRRESA-N 1 0 243.375 3.641 20 0 BHADRO c1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000111398267 183432851 /nfs/dbraw/zinc/43/28/51/183432851.db2.gz GHURHSQVSUEWPW-HUUCEWRRSA-N 1 0 243.375 3.641 20 0 BHADRO c1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000111398269 183429167 /nfs/dbraw/zinc/42/91/67/183429167.db2.gz GHURHSQVSUEWPW-GJZGRUSLSA-N 1 0 243.375 3.641 20 0 BHADRO c1cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000111398270 397906260 /nfs/dbraw/zinc/90/62/60/397906260.db2.gz GHURHSQVSUEWPW-LSDHHAIUSA-N 1 0 243.375 3.641 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)o1 ZINC000111411951 385527932 /nfs/dbraw/zinc/52/79/32/385527932.db2.gz CQOCAYYNOQFXNR-ZBEGNZNMSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)o1 ZINC000111411953 385528580 /nfs/dbraw/zinc/52/85/80/385528580.db2.gz CQOCAYYNOQFXNR-MEDUHNTESA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)o1 ZINC000111411955 385529409 /nfs/dbraw/zinc/52/94/09/385529409.db2.gz CQOCAYYNOQFXNR-BZNIZROVSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)o1 ZINC000111411957 385529321 /nfs/dbraw/zinc/52/93/21/385529321.db2.gz CQOCAYYNOQFXNR-BDJLRTHQSA-N 1 0 241.334 3.611 20 0 BHADRO c1coc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000111412657 323159741 /nfs/dbraw/zinc/15/97/41/323159741.db2.gz BIMWQOIWIQMEBV-HOTGVXAUSA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000111412660 323159689 /nfs/dbraw/zinc/15/96/89/323159689.db2.gz BIMWQOIWIQMEBV-CVEARBPZSA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000111412662 323159730 /nfs/dbraw/zinc/15/97/30/323159730.db2.gz BIMWQOIWIQMEBV-JKSUJKDBSA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000111412664 323159809 /nfs/dbraw/zinc/15/98/09/323159809.db2.gz BIMWQOIWIQMEBV-HZPDHXFCSA-N 1 0 241.334 3.706 20 0 BHADRO CC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000111554750 323161473 /nfs/dbraw/zinc/16/14/73/323161473.db2.gz JOJFNEUCBDQTJB-UHFFFAOYSA-N 1 0 243.375 3.947 20 0 BHADRO CC1(C[NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC000111618168 323162210 /nfs/dbraw/zinc/16/22/10/323162210.db2.gz BXZCSVZTFADOEY-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CC1(C)CCCC1 ZINC000111618186 323162125 /nfs/dbraw/zinc/16/21/25/323162125.db2.gz RMGXLNKXYACDIR-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO CCOc1ccccc1C[NH2+]CC1(C)CCCC1 ZINC000111618242 323162122 /nfs/dbraw/zinc/16/21/22/323162122.db2.gz QUBXCYISPLJMFH-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CC1(C[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC000111618265 323162147 /nfs/dbraw/zinc/16/21/47/323162147.db2.gz WIEMYWOOEBMJQW-JXMROGBWSA-N 1 0 229.367 3.870 20 0 BHADRO CC1(C[NH2+]Cc2c(F)cccc2F)CCCC1 ZINC000111618297 323162159 /nfs/dbraw/zinc/16/21/59/323162159.db2.gz NNZUCUBQCRMMJD-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CC1(C[NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC000111618300 323162223 /nfs/dbraw/zinc/16/22/23/323162223.db2.gz ZTWWIDBWSQEGHZ-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCOc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000111618339 323162188 /nfs/dbraw/zinc/16/21/88/323162188.db2.gz NXLJQFQACHAQHK-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO CCOc1cccc(C[NH2+]CC2(C)CCCC2)c1 ZINC000111618389 323162201 /nfs/dbraw/zinc/16/22/01/323162201.db2.gz ABQGOQCFHAFPLE-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CCCC2)ccc1F ZINC000111618400 323162175 /nfs/dbraw/zinc/16/21/75/323162175.db2.gz LHJTUHWBNJPFHI-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618791 323162178 /nfs/dbraw/zinc/16/21/78/323162178.db2.gz SBXWRULLDCTJAP-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618792 323162179 /nfs/dbraw/zinc/16/21/79/323162179.db2.gz SBXWRULLDCTJAP-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2(C)CCCC2)cc1 ZINC000111619533 323162219 /nfs/dbraw/zinc/16/22/19/323162219.db2.gz OZCPNHSPSIPPIB-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2(C)CCCC2)cc1 ZINC000111619535 323162126 /nfs/dbraw/zinc/16/21/26/323162126.db2.gz OZCPNHSPSIPPIB-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)c1cccc(O)c1 ZINC000111619755 323162161 /nfs/dbraw/zinc/16/21/61/323162161.db2.gz WPLWTRWDCBXYDH-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1cccc(O)c1 ZINC000111619756 323162181 /nfs/dbraw/zinc/16/21/81/323162181.db2.gz WPLWTRWDCBXYDH-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CCCC2)cc(C)c1O ZINC000111619782 323162151 /nfs/dbraw/zinc/16/21/51/323162151.db2.gz JWAVQQGWUZGDIX-UHFFFAOYSA-N 1 0 247.382 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000111619964 323162145 /nfs/dbraw/zinc/16/21/45/323162145.db2.gz NALDKGOXOGYSEE-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000111619965 323162195 /nfs/dbraw/zinc/16/21/95/323162195.db2.gz NALDKGOXOGYSEE-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC1(C)CCCC1 ZINC000111620002 344596347 /nfs/dbraw/zinc/59/63/47/344596347.db2.gz WRVKBHGTWMELCX-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC1(C)CCCC1 ZINC000111620004 344596525 /nfs/dbraw/zinc/59/65/25/344596525.db2.gz WRVKBHGTWMELCX-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCCC2)cc1F ZINC000111620223 323162168 /nfs/dbraw/zinc/16/21/68/323162168.db2.gz PSQNZTSXDIHLGM-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO C(COC1CCCC1)[NH2+]C1CCCCCCC1 ZINC000111634254 588764884 /nfs/dbraw/zinc/76/48/84/588764884.db2.gz ZEYONVSQTMUBAR-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000111634406 323162091 /nfs/dbraw/zinc/16/20/91/323162091.db2.gz GBYNJIIEAWXZCG-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCOC1CCCC1 ZINC000111634407 323162067 /nfs/dbraw/zinc/16/20/67/323162067.db2.gz GBYNJIIEAWXZCG-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCCC2)cc1 ZINC000111634914 322982406 /nfs/dbraw/zinc/98/24/06/322982406.db2.gz LTCLQJUARDAFNP-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOC2CCCC2)cc1 ZINC000111634917 323162076 /nfs/dbraw/zinc/16/20/76/323162076.db2.gz LTCLQJUARDAFNP-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CCOC1CCCC1)c1ccccc1 ZINC000111635144 385972054 /nfs/dbraw/zinc/97/20/54/385972054.db2.gz MQNZCUYJSXCPIQ-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H]([NH2+]CCOC1CCCC1)c1ccccc1 ZINC000111635147 385972064 /nfs/dbraw/zinc/97/20/64/385972064.db2.gz MQNZCUYJSXCPIQ-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCC1)C1CCCCC1 ZINC000111635187 323162006 /nfs/dbraw/zinc/16/20/06/323162006.db2.gz ABUSCSXYGKJBEA-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCC1)C1CCCCC1 ZINC000111635189 323162066 /nfs/dbraw/zinc/16/20/66/323162066.db2.gz ABUSCSXYGKJBEA-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCCC1)C1CCCC1 ZINC000111635562 323162046 /nfs/dbraw/zinc/16/20/46/323162046.db2.gz RQEVCEYPFCWPAH-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCCC1)C1CCCC1 ZINC000111635564 323162065 /nfs/dbraw/zinc/16/20/65/323162065.db2.gz RQEVCEYPFCWPAH-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000111635879 323161963 /nfs/dbraw/zinc/16/19/63/323161963.db2.gz OZYMGSYHFJGGFQ-AWEZNQCLSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000111635880 323162055 /nfs/dbraw/zinc/16/20/55/323162055.db2.gz OZYMGSYHFJGGFQ-CQSZACIVSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CCC(C(C)=O)CC1 ZINC000111690654 588767496 /nfs/dbraw/zinc/76/74/96/588767496.db2.gz HNPNZHVWXBCRTE-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CCC(C(C)=O)CC1 ZINC000111690656 588767422 /nfs/dbraw/zinc/76/74/22/588767422.db2.gz HNPNZHVWXBCRTE-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCc1nc(C[N@H+](C)C[C@@H](C)CC)cs1 ZINC000111692228 385981632 /nfs/dbraw/zinc/98/16/32/385981632.db2.gz CZFDHJFISQVOBD-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO CCCc1nc(C[N@H+](C)C[C@H](C)CC)cs1 ZINC000111692230 385980936 /nfs/dbraw/zinc/98/09/36/385980936.db2.gz CZFDHJFISQVOBD-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CC1(C[NH2+]Cc2cccc(F)c2F)CCCC1 ZINC000111728171 168043034 /nfs/dbraw/zinc/04/30/34/168043034.db2.gz NOHJEFLOXFJCOA-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000111728516 582818202 /nfs/dbraw/zinc/81/82/02/582818202.db2.gz BANLVEKJLGVHKZ-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccnc2ccccc12 ZINC000111728721 368862121 /nfs/dbraw/zinc/86/21/21/368862121.db2.gz DXUYWTFZZFVEON-CQSZACIVSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccnc2ccccc12 ZINC000111728723 368862161 /nfs/dbraw/zinc/86/21/61/368862161.db2.gz DXUYWTFZZFVEON-AWEZNQCLSA-N 1 0 242.366 3.903 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000111728728 323163012 /nfs/dbraw/zinc/16/30/12/323163012.db2.gz RJAWNTAYZHTRKX-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000111728730 323163035 /nfs/dbraw/zinc/16/30/35/323163035.db2.gz RJAWNTAYZHTRKX-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000111728732 323162995 /nfs/dbraw/zinc/16/29/95/323162995.db2.gz RJAWNTAYZHTRKX-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000111728733 323163055 /nfs/dbraw/zinc/16/30/55/323163055.db2.gz RJAWNTAYZHTRKX-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111753848 323163405 /nfs/dbraw/zinc/16/34/05/323163405.db2.gz LKJVCTJXALDXEC-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111753849 323163413 /nfs/dbraw/zinc/16/34/13/323163413.db2.gz LKJVCTJXALDXEC-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)CC[N@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000111828980 588771343 /nfs/dbraw/zinc/77/13/43/588771343.db2.gz YKOBPCBKBFJYTG-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(F)cc1C ZINC000112017584 178086674 /nfs/dbraw/zinc/08/66/74/178086674.db2.gz XYLLAPATYABUDE-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccsc1C[NH2+]C/C=C/c1ccccc1 ZINC000112204792 323166898 /nfs/dbraw/zinc/16/68/98/323166898.db2.gz MBEKSMIGKVZKSC-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000112344017 323169194 /nfs/dbraw/zinc/16/91/94/323169194.db2.gz GCWMEVFZLNCZEA-CYBMUJFWSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000112344020 323169276 /nfs/dbraw/zinc/16/92/76/323169276.db2.gz GCWMEVFZLNCZEA-ZDUSSCGKSA-N 1 0 237.774 3.963 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)C(C)(C)C ZINC000112375652 352753057 /nfs/dbraw/zinc/75/30/57/352753057.db2.gz HYXBDOPAHRONSV-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)C(C)(C)C ZINC000112375655 352753059 /nfs/dbraw/zinc/75/30/59/352753059.db2.gz HYXBDOPAHRONSV-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)c1nc(C[NH2+][C@H](C)C(C)(C)C)cs1 ZINC000112375838 368870992 /nfs/dbraw/zinc/87/09/92/368870992.db2.gz IVDMLYGBBYSEDL-SNVBAGLBSA-N 1 0 240.416 3.791 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000112375842 368870702 /nfs/dbraw/zinc/87/07/02/368870702.db2.gz CRQCFLFPUXGLNF-MRVPVSSYSA-N 1 0 245.288 3.628 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000112375852 343215361 /nfs/dbraw/zinc/21/53/61/343215361.db2.gz HZROQASQTGGBLR-NSHDSACASA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000112375855 368870950 /nfs/dbraw/zinc/87/09/50/368870950.db2.gz HZROQASQTGGBLR-LLVKDONJSA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C(C)(C)C ZINC000112375863 352753163 /nfs/dbraw/zinc/75/31/63/352753163.db2.gz JAYMELCYOYWQBG-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cccnc21)C(C)(C)C ZINC000112375900 368870764 /nfs/dbraw/zinc/87/07/64/368870764.db2.gz YSJKSZALSYMKRP-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO COc1ccccc1/C=C/C[NH2+][C@H](C)C(C)(C)C ZINC000112375950 368870715 /nfs/dbraw/zinc/87/07/15/368870715.db2.gz JKOKIYHHDXJIKQ-AORWBKJGSA-N 1 0 247.382 3.733 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)s1 ZINC000112375981 352753246 /nfs/dbraw/zinc/75/32/46/352753246.db2.gz MJLLBVXQPONJOT-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000112375982 352753083 /nfs/dbraw/zinc/75/30/83/352753083.db2.gz MJLLBVXQPONJOT-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C ZINC000112466625 323170401 /nfs/dbraw/zinc/17/04/01/323170401.db2.gz YJZMXIOTFSIXRA-AWEZNQCLSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C ZINC000112466627 323170420 /nfs/dbraw/zinc/17/04/20/323170420.db2.gz YJZMXIOTFSIXRA-CQSZACIVSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccs1 ZINC000112466734 323170344 /nfs/dbraw/zinc/17/03/44/323170344.db2.gz TXCKZSHBLYYPIT-AWEZNQCLSA-N 1 0 245.391 3.859 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1cccs1 ZINC000112466737 323170316 /nfs/dbraw/zinc/17/03/16/323170316.db2.gz TXCKZSHBLYYPIT-CQSZACIVSA-N 1 0 245.391 3.859 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)o1 ZINC000112466765 323170379 /nfs/dbraw/zinc/17/03/79/323170379.db2.gz BAVZZEXQDJNVHP-HNNXBMFYSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)o1 ZINC000112466767 323170322 /nfs/dbraw/zinc/17/03/22/323170322.db2.gz BAVZZEXQDJNVHP-OAHLLOKOSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccsc1 ZINC000112466782 323170463 /nfs/dbraw/zinc/17/04/63/323170463.db2.gz GLBLCMNHUPYKFO-HNNXBMFYSA-N 1 0 245.391 3.859 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccsc1 ZINC000112466784 323170385 /nfs/dbraw/zinc/17/03/85/323170385.db2.gz GLBLCMNHUPYKFO-OAHLLOKOSA-N 1 0 245.391 3.859 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000112466794 323170418 /nfs/dbraw/zinc/17/04/18/323170418.db2.gz OPNWJASRZVTTSW-KRWDZBQOSA-N 1 0 239.362 3.798 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000112466796 323170425 /nfs/dbraw/zinc/17/04/25/323170425.db2.gz OPNWJASRZVTTSW-QGZVFWFLSA-N 1 0 239.362 3.798 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515214 323170732 /nfs/dbraw/zinc/17/07/32/323170732.db2.gz VNMIBDIHLSZOKK-ZJUUUORDSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515216 323170822 /nfs/dbraw/zinc/17/08/22/323170822.db2.gz VNMIBDIHLSZOKK-UWVGGRQHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515218 323170778 /nfs/dbraw/zinc/17/07/78/323170778.db2.gz VNMIBDIHLSZOKK-NXEZZACHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515220 323170858 /nfs/dbraw/zinc/17/08/58/323170858.db2.gz VNMIBDIHLSZOKK-VHSXEESVSA-N 1 0 241.762 3.798 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515456 323170827 /nfs/dbraw/zinc/17/08/27/323170827.db2.gz PLLRQGVZAXRELA-JTQLQIEISA-N 1 0 241.762 3.799 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000112515458 323170722 /nfs/dbraw/zinc/17/07/22/323170722.db2.gz PLLRQGVZAXRELA-SNVBAGLBSA-N 1 0 241.762 3.799 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC(C)C)cc1Cl ZINC000112515572 323170770 /nfs/dbraw/zinc/17/07/70/323170770.db2.gz CPOPUUIQUHNDRW-JTQLQIEISA-N 1 0 241.762 3.655 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC(C)C)cc1Cl ZINC000112515574 323170723 /nfs/dbraw/zinc/17/07/23/323170723.db2.gz CPOPUUIQUHNDRW-SNVBAGLBSA-N 1 0 241.762 3.655 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000112537840 398332390 /nfs/dbraw/zinc/33/23/90/398332390.db2.gz WRKLIBUMIHNAOM-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000112537842 398332347 /nfs/dbraw/zinc/33/23/47/398332347.db2.gz WRKLIBUMIHNAOM-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC000112635493 188364457 /nfs/dbraw/zinc/36/44/57/188364457.db2.gz KPFVZXBVAFCUKI-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC000112635494 188187466 /nfs/dbraw/zinc/18/74/66/188187466.db2.gz KPFVZXBVAFCUKI-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1ccc([C@@H]2CSCC[N@H+]2CC(C)C)cc1 ZINC000112636026 323171344 /nfs/dbraw/zinc/17/13/44/323171344.db2.gz SGFYHZBWHRGQQI-HNNXBMFYSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccc([C@H]2CSCC[N@H+]2CC(C)C)cc1 ZINC000112636028 323171365 /nfs/dbraw/zinc/17/13/65/323171365.db2.gz SGFYHZBWHRGQQI-OAHLLOKOSA-N 1 0 249.423 3.741 20 0 BHADRO CCCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000112646166 370340128 /nfs/dbraw/zinc/34/01/28/370340128.db2.gz ZTXBJDHDJRKDKW-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000112646169 370340591 /nfs/dbraw/zinc/34/05/91/370340591.db2.gz ZTXBJDHDJRKDKW-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000112646301 370340597 /nfs/dbraw/zinc/34/05/97/370340597.db2.gz LASZULSQOKTEAS-UHFFFAOYSA-N 1 0 245.366 3.672 20 0 BHADRO CC(C)(C)C[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000112675180 323171412 /nfs/dbraw/zinc/17/14/12/323171412.db2.gz IFTZIUJROHIAJN-AWEZNQCLSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000112675182 323171491 /nfs/dbraw/zinc/17/14/91/323171491.db2.gz IFTZIUJROHIAJN-CQSZACIVSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000112675552 323171514 /nfs/dbraw/zinc/17/15/14/323171514.db2.gz TZZZNGLIUJPNSD-KBPBESRZSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000112675556 323171503 /nfs/dbraw/zinc/17/15/03/323171503.db2.gz TZZZNGLIUJPNSD-KGLIPLIRSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000112675558 323171465 /nfs/dbraw/zinc/17/14/65/323171465.db2.gz TZZZNGLIUJPNSD-UONOGXRCSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000112675561 323171478 /nfs/dbraw/zinc/17/14/78/323171478.db2.gz TZZZNGLIUJPNSD-ZIAGYGMSSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000112676044 323171442 /nfs/dbraw/zinc/17/14/42/323171442.db2.gz DVITVPFZQSUKMT-KBPBESRZSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000112676047 323171515 /nfs/dbraw/zinc/17/15/15/323171515.db2.gz DVITVPFZQSUKMT-KGLIPLIRSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000112676050 323171516 /nfs/dbraw/zinc/17/15/16/323171516.db2.gz DVITVPFZQSUKMT-UONOGXRCSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000112676052 323171523 /nfs/dbraw/zinc/17/15/23/323171523.db2.gz DVITVPFZQSUKMT-ZIAGYGMSSA-N 1 0 221.344 3.584 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)o1 ZINC000112676058 323171513 /nfs/dbraw/zinc/17/15/13/323171513.db2.gz LCWXJNXNBIPXMX-HUUCEWRRSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)o1 ZINC000112676061 323171467 /nfs/dbraw/zinc/17/14/67/323171467.db2.gz LCWXJNXNBIPXMX-CABCVRRESA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)o1 ZINC000112676065 323171521 /nfs/dbraw/zinc/17/15/21/323171521.db2.gz LCWXJNXNBIPXMX-LSDHHAIUSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)o1 ZINC000112676067 323171495 /nfs/dbraw/zinc/17/14/95/323171495.db2.gz LCWXJNXNBIPXMX-GJZGRUSLSA-N 1 0 235.371 3.892 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000112676088 323171408 /nfs/dbraw/zinc/17/14/08/323171408.db2.gz JKVVZQLRUCTVNS-HOTGVXAUSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000112676091 323171472 /nfs/dbraw/zinc/17/14/72/323171472.db2.gz JKVVZQLRUCTVNS-CVEARBPZSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000112676094 323171405 /nfs/dbraw/zinc/17/14/05/323171405.db2.gz JKVVZQLRUCTVNS-JKSUJKDBSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000112676096 323171409 /nfs/dbraw/zinc/17/14/09/323171409.db2.gz JKVVZQLRUCTVNS-HZPDHXFCSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000112676189 323171443 /nfs/dbraw/zinc/17/14/43/323171443.db2.gz WHYMSLMVUCJKBO-HOTGVXAUSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000112676192 323171519 /nfs/dbraw/zinc/17/15/19/323171519.db2.gz WHYMSLMVUCJKBO-CVEARBPZSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000112676195 323171406 /nfs/dbraw/zinc/17/14/06/323171406.db2.gz WHYMSLMVUCJKBO-JKSUJKDBSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000112676198 323171456 /nfs/dbraw/zinc/17/14/56/323171456.db2.gz WHYMSLMVUCJKBO-HZPDHXFCSA-N 1 0 247.382 3.697 20 0 BHADRO CCCCCC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000112679213 588811792 /nfs/dbraw/zinc/81/17/92/588811792.db2.gz SFDPRVNIIGMQBW-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000112680040 588811972 /nfs/dbraw/zinc/81/19/72/588811972.db2.gz BPXPLEWDKLHGPC-ZDUSSCGKSA-N 1 0 235.371 3.965 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000112680041 588811825 /nfs/dbraw/zinc/81/18/25/588811825.db2.gz BPXPLEWDKLHGPC-CYBMUJFWSA-N 1 0 235.371 3.965 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000112697054 383942301 /nfs/dbraw/zinc/94/23/01/383942301.db2.gz KRZFESBJGZORBT-CYBMUJFWSA-N 1 0 220.360 3.588 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000112697055 383941622 /nfs/dbraw/zinc/94/16/22/383941622.db2.gz KRZFESBJGZORBT-ZDUSSCGKSA-N 1 0 220.360 3.588 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCC(C)(C)C ZINC000112697255 344649880 /nfs/dbraw/zinc/64/98/80/344649880.db2.gz NENRGIYZDUPUGH-NSHDSACASA-N 1 0 209.333 3.709 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCC(C)(C)C ZINC000112697256 370345281 /nfs/dbraw/zinc/34/52/81/370345281.db2.gz NENRGIYZDUPUGH-LLVKDONJSA-N 1 0 209.333 3.709 20 0 BHADRO CCCO[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000112698058 169310728 /nfs/dbraw/zinc/31/07/28/169310728.db2.gz MHDXIMJXPBAWPF-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCCO[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000112698059 169311566 /nfs/dbraw/zinc/31/15/66/169311566.db2.gz MHDXIMJXPBAWPF-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)(C)C[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000112759138 385908572 /nfs/dbraw/zinc/90/85/72/385908572.db2.gz JCPHEFUQZNLDIN-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000112759139 166596413 /nfs/dbraw/zinc/59/64/13/166596413.db2.gz JCPHEFUQZNLDIN-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000112759141 166602265 /nfs/dbraw/zinc/60/22/65/166602265.db2.gz JCPHEFUQZNLDIN-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000112759143 385909096 /nfs/dbraw/zinc/90/90/96/385909096.db2.gz JCPHEFUQZNLDIN-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)=CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978670 323172593 /nfs/dbraw/zinc/17/25/93/323172593.db2.gz JJEVHRFZQJBSKJ-UHFFFAOYSA-N 1 0 245.366 3.570 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000113071970 353150658 /nfs/dbraw/zinc/15/06/58/353150658.db2.gz SSLWKGZUDNAZCE-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)o1 ZINC000113310431 370399775 /nfs/dbraw/zinc/39/97/75/370399775.db2.gz YLZGWHWKYRUVCR-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)o1 ZINC000113310433 370399976 /nfs/dbraw/zinc/39/99/76/370399976.db2.gz YLZGWHWKYRUVCR-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C)CC2 ZINC000113310554 323187002 /nfs/dbraw/zinc/18/70/02/323187002.db2.gz AHNKTHMNDWZDKU-CQSZACIVSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C)CC2 ZINC000113310557 323187010 /nfs/dbraw/zinc/18/70/10/323187010.db2.gz AHNKTHMNDWZDKU-AWEZNQCLSA-N 1 0 217.356 3.618 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1csc(C2CC2)n1 ZINC000113340835 354654208 /nfs/dbraw/zinc/65/42/08/354654208.db2.gz VZPPZZNIPHKAJG-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO C[C@@H]([NH2+]Cc1csc(C2CC2)n1)C(C)(C)C ZINC000113342166 323187724 /nfs/dbraw/zinc/18/77/24/323187724.db2.gz PGYJNIPBGNLHIU-SECBINFHSA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1CCCCC1 ZINC000113750592 323191628 /nfs/dbraw/zinc/19/16/28/323191628.db2.gz QTNGYWBJKOBOFD-ZDUSSCGKSA-N 1 0 247.382 3.965 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CC1CCCCC1 ZINC000113750595 323191779 /nfs/dbraw/zinc/19/17/79/323191779.db2.gz QTNGYWBJKOBOFD-CYBMUJFWSA-N 1 0 247.382 3.965 20 0 BHADRO c1coc(C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000113958328 370526386 /nfs/dbraw/zinc/52/63/86/370526386.db2.gz VETWTJMQFJIWBM-UHFFFAOYSA-N 1 0 241.334 3.839 20 0 BHADRO Cc1cccc(NCCCOC2CCCCC2)[nH+]1 ZINC000114183821 179143457 /nfs/dbraw/zinc/14/34/57/179143457.db2.gz DUTZFCLZQUEEBX-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO Cc1cc(C[NH+]2CCCCC2)c2ccccc2n1 ZINC000114205211 385348004 /nfs/dbraw/zinc/34/80/04/385348004.db2.gz BLIZPHKAKPTJSA-UHFFFAOYSA-N 1 0 240.350 3.529 20 0 BHADRO COCCCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000114207873 174203497 /nfs/dbraw/zinc/20/34/97/174203497.db2.gz FYZXNVGEJPQZBK-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO COCCCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000114207876 174201919 /nfs/dbraw/zinc/20/19/19/174201919.db2.gz FYZXNVGEJPQZBK-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1cc(C[NH2+]Cc2cc(C)cc(C)c2)c(C)o1 ZINC000114504598 588874925 /nfs/dbraw/zinc/87/49/25/588874925.db2.gz NOJLLMKHBSDZNF-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cc(C)oc2C)s1 ZINC000114504714 588874946 /nfs/dbraw/zinc/87/49/46/588874946.db2.gz IJJNFQHFDISSPJ-UHFFFAOYSA-N 1 0 249.379 3.810 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2)c(C)o1 ZINC000114504983 588874814 /nfs/dbraw/zinc/87/48/14/588874814.db2.gz WHZVOVHBWXNDCV-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccc(Cl)c2)c(C)o1 ZINC000114504992 588874740 /nfs/dbraw/zinc/87/47/40/588874740.db2.gz HHEXNKYWECPHGV-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)c(F)c2)c(C)o1 ZINC000114505077 588874883 /nfs/dbraw/zinc/87/48/83/588874883.db2.gz NPEBKDBVJGJKLV-UHFFFAOYSA-N 1 0 247.313 3.634 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)cc2C)c(C)o1 ZINC000114505096 588874962 /nfs/dbraw/zinc/87/49/62/588874962.db2.gz OEVVPACFAKPLTP-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO Cc1cc(C[NH2+]Cc2sccc2C)c(C)o1 ZINC000114505226 588874778 /nfs/dbraw/zinc/87/47/78/588874778.db2.gz DPOFSXJLTFZAPO-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(F)c(C)c2)c(C)o1 ZINC000114505265 588874773 /nfs/dbraw/zinc/87/47/73/588874773.db2.gz VSEXLPXNLRIDBG-UHFFFAOYSA-N 1 0 247.313 3.634 20 0 BHADRO CC(C)c1cc(C[NH2+]C2CCCCCC2)on1 ZINC000114510782 370570436 /nfs/dbraw/zinc/57/04/36/370570436.db2.gz LPJIXUSOZZCNJY-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(C)s1 ZINC000114630647 344692096 /nfs/dbraw/zinc/69/20/96/344692096.db2.gz HOWSWYHAOLNKNT-UHFFFAOYSA-N 1 0 211.374 3.679 20 0 BHADRO Cc1ccc([C@@H]2CCCN2c2ccccn2)s1 ZINC000114710670 387129744 /nfs/dbraw/zinc/12/97/44/387129744.db2.gz OWEZMBAVKQFNHX-LBPRGKRZSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1ccc([C@H]2CCCN2c2ccccn2)s1 ZINC000114710671 387128731 /nfs/dbraw/zinc/12/87/31/387128731.db2.gz OWEZMBAVKQFNHX-GFCCVEGCSA-N 1 0 244.363 3.793 20 0 BHADRO CCCc1nc(C[NH2+][C@H](C)C(C)(C)C)cs1 ZINC000114722940 346974362 /nfs/dbraw/zinc/97/43/62/346974362.db2.gz CNVVFALPBWDIBW-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC000114733542 323195934 /nfs/dbraw/zinc/19/59/34/323195934.db2.gz ADXUEYOUFRNHQK-LBPRGKRZSA-N 1 0 223.385 3.849 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000114733544 323195900 /nfs/dbraw/zinc/19/59/00/323195900.db2.gz ADXUEYOUFRNHQK-GFCCVEGCSA-N 1 0 223.385 3.849 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C(C)C)s1 ZINC000114733589 387081253 /nfs/dbraw/zinc/08/12/53/387081253.db2.gz KLIANRVYVFWYJT-NSHDSACASA-N 1 0 209.358 3.602 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2C(C)C)s1 ZINC000114733591 387081222 /nfs/dbraw/zinc/08/12/22/387081222.db2.gz KLIANRVYVFWYJT-LLVKDONJSA-N 1 0 209.358 3.602 20 0 BHADRO CC(C)C[NH+]1CCC(c2ccccc2)CC1 ZINC000115233763 411281393 /nfs/dbraw/zinc/28/13/93/411281393.db2.gz XMYPOPDFOUJLHN-UHFFFAOYSA-N 1 0 217.356 3.522 20 0 BHADRO CCCC[NH+](CCCC)CCCCF ZINC000115311278 345676211 /nfs/dbraw/zinc/67/62/11/345676211.db2.gz VZGNSQIEHPIHBA-UHFFFAOYSA-N 1 0 203.345 3.638 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccco2)c1C ZINC000115630507 179183244 /nfs/dbraw/zinc/18/32/44/179183244.db2.gz VABZCVFEMFBLFW-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccco2)c1C ZINC000115630509 179196218 /nfs/dbraw/zinc/19/62/18/179196218.db2.gz VABZCVFEMFBLFW-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccccn2)c1C ZINC000115630595 370678914 /nfs/dbraw/zinc/67/89/14/370678914.db2.gz NAKQRBXUUPXYSI-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccccn2)c1C ZINC000115630598 370678495 /nfs/dbraw/zinc/67/84/95/370678495.db2.gz NAKQRBXUUPXYSI-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C/C=C/Cl ZINC000115739565 588925249 /nfs/dbraw/zinc/92/52/49/588925249.db2.gz FHRFWQOXYLEVQE-MZMNXDGSSA-N 1 0 235.758 3.617 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C/C=C/Cl ZINC000115739570 588925366 /nfs/dbraw/zinc/92/53/66/588925366.db2.gz FHRFWQOXYLEVQE-VMIDCOPPSA-N 1 0 235.758 3.617 20 0 BHADRO Cc1nc(C[NH2+]C2(C)CCC(C)CC2)cs1 ZINC000116341490 386942029 /nfs/dbraw/zinc/94/20/29/386942029.db2.gz KTTVNIBJHIPVFG-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+]C2(C)CCC(C)CC2)s1 ZINC000116341581 180150348 /nfs/dbraw/zinc/15/03/48/180150348.db2.gz MWTWVKLBRNJSMH-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000116358796 323204738 /nfs/dbraw/zinc/20/47/38/323204738.db2.gz LCUFJFPGCKHQCX-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000116359095 323204868 /nfs/dbraw/zinc/20/48/68/323204868.db2.gz SXTOAMAMIZMDPI-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)s1 ZINC000116359108 323204759 /nfs/dbraw/zinc/20/47/59/323204759.db2.gz JLCYGZCVXCLIDC-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc2cccnc21 ZINC000116359110 323204850 /nfs/dbraw/zinc/20/48/50/323204850.db2.gz CYSNAOAHPOKDPT-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000116359170 323204771 /nfs/dbraw/zinc/20/47/71/323204771.db2.gz UARMXNRUIRTUAK-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCC(C)(CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000116359233 323204782 /nfs/dbraw/zinc/20/47/82/323204782.db2.gz OCLMWLAIQFYOBC-UHFFFAOYSA-N 1 0 245.366 3.631 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1sccc1C ZINC000116359260 323204840 /nfs/dbraw/zinc/20/48/40/323204840.db2.gz UQJBTRKBRATXHI-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1csc(C2CC2)n1 ZINC000116359472 168311447 /nfs/dbraw/zinc/31/14/47/168311447.db2.gz ULUHQTHEFYIYSO-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000116381194 323204914 /nfs/dbraw/zinc/20/49/14/323204914.db2.gz YDTUPONGHDNTNN-HNNXBMFYSA-N 1 0 231.383 3.930 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000116381198 323204886 /nfs/dbraw/zinc/20/48/86/323204886.db2.gz YDTUPONGHDNTNN-OAHLLOKOSA-N 1 0 231.383 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000116381233 323204894 /nfs/dbraw/zinc/20/48/94/323204894.db2.gz KELXRYREAKSDQZ-AWEZNQCLSA-N 1 0 217.356 3.540 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000116381236 323204985 /nfs/dbraw/zinc/20/49/85/323204985.db2.gz KELXRYREAKSDQZ-CQSZACIVSA-N 1 0 217.356 3.540 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116381240 323204883 /nfs/dbraw/zinc/20/48/83/323204883.db2.gz LCVDPPBVLMNOJM-HNNXBMFYSA-N 1 0 219.372 3.786 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)Cc1ccccc1 ZINC000116381243 323204943 /nfs/dbraw/zinc/20/49/43/323204943.db2.gz LCVDPPBVLMNOJM-OAHLLOKOSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116381350 323204870 /nfs/dbraw/zinc/20/48/70/323204870.db2.gz OWKJDGFHFVHQKL-HIFRSBDPSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116381351 323204997 /nfs/dbraw/zinc/20/49/97/323204997.db2.gz OWKJDGFHFVHQKL-ZFWWWQNUSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000116381355 323204907 /nfs/dbraw/zinc/20/49/07/323204907.db2.gz OWKJDGFHFVHQKL-UKRRQHHQSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000116381358 323204966 /nfs/dbraw/zinc/20/49/66/323204966.db2.gz OWKJDGFHFVHQKL-DZGCQCFKSA-N 1 0 219.372 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC(C)C ZINC000116381631 323204911 /nfs/dbraw/zinc/20/49/11/323204911.db2.gz KANIEGWWQYVSLQ-HNNXBMFYSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC(C)C ZINC000116381635 323204964 /nfs/dbraw/zinc/20/49/64/323204964.db2.gz KANIEGWWQYVSLQ-OAHLLOKOSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C(C1CC1)C1CC1 ZINC000116382510 323204960 /nfs/dbraw/zinc/20/49/60/323204960.db2.gz MZNJDBFYUBSLSF-INIZCTEOSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C(C1CC1)C1CC1 ZINC000116382514 323204875 /nfs/dbraw/zinc/20/48/75/323204875.db2.gz MZNJDBFYUBSLSF-MRXNPFEDSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(C)C ZINC000116383166 323205008 /nfs/dbraw/zinc/20/50/08/323205008.db2.gz ZCIUJTDXDLCFNU-ZFWWWQNUSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(C)C ZINC000116383167 323204978 /nfs/dbraw/zinc/20/49/78/323204978.db2.gz ZCIUJTDXDLCFNU-DZGCQCFKSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C ZINC000116383171 323204919 /nfs/dbraw/zinc/20/49/19/323204919.db2.gz ZCIUJTDXDLCFNU-HIFRSBDPSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C ZINC000116383173 323204882 /nfs/dbraw/zinc/20/48/82/323204882.db2.gz ZCIUJTDXDLCFNU-UKRRQHHQSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000116383431 323204983 /nfs/dbraw/zinc/20/49/83/323204983.db2.gz WRICTMSNBXJNMK-ZFWWWQNUSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000116383434 323205016 /nfs/dbraw/zinc/20/50/16/323205016.db2.gz WRICTMSNBXJNMK-DZGCQCFKSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000116383437 323204962 /nfs/dbraw/zinc/20/49/62/323204962.db2.gz WRICTMSNBXJNMK-HIFRSBDPSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000116383442 323204969 /nfs/dbraw/zinc/20/49/69/323204969.db2.gz WRICTMSNBXJNMK-UKRRQHHQSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116387615 323205124 /nfs/dbraw/zinc/20/51/24/323205124.db2.gz NVUHXKXCEOUVSZ-HIFRSBDPSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116387617 323205088 /nfs/dbraw/zinc/20/50/88/323205088.db2.gz NVUHXKXCEOUVSZ-ZFWWWQNUSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)Cc1ccccc1 ZINC000116387621 323205091 /nfs/dbraw/zinc/20/50/91/323205091.db2.gz NVUHXKXCEOUVSZ-UKRRQHHQSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CC ZINC000116387624 323205164 /nfs/dbraw/zinc/20/51/64/323205164.db2.gz NVUHXKXCEOUVSZ-DZGCQCFKSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000116387807 323205250 /nfs/dbraw/zinc/20/52/50/323205250.db2.gz UOSYKRZPMJYLPW-LBPRGKRZSA-N 1 0 245.288 3.550 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000116387811 323205234 /nfs/dbraw/zinc/20/52/34/323205234.db2.gz UOSYKRZPMJYLPW-GFCCVEGCSA-N 1 0 245.288 3.550 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000116387847 323205241 /nfs/dbraw/zinc/20/52/41/323205241.db2.gz ZKVBZDZHWUJPKQ-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000116387854 323205198 /nfs/dbraw/zinc/20/51/98/323205198.db2.gz ZKVBZDZHWUJPKQ-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000116388061 323205214 /nfs/dbraw/zinc/20/52/14/323205214.db2.gz LQRBKWIGZAJAJD-BBRMVZONSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000116388064 323205212 /nfs/dbraw/zinc/20/52/12/323205212.db2.gz LQRBKWIGZAJAJD-XJKSGUPXSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC1CC1 ZINC000116388068 323205232 /nfs/dbraw/zinc/20/52/32/323205232.db2.gz LQRBKWIGZAJAJD-CJNGLKHVSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC1CC1 ZINC000116388071 323205215 /nfs/dbraw/zinc/20/52/15/323205215.db2.gz LQRBKWIGZAJAJD-CZUORRHYSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000116743767 387579663 /nfs/dbraw/zinc/57/96/63/387579663.db2.gz RODIRKFEAFOEPX-HOTGVXAUSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000116743769 323668788 /nfs/dbraw/zinc/66/87/88/323668788.db2.gz RODIRKFEAFOEPX-CVEARBPZSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000116743772 387579505 /nfs/dbraw/zinc/57/95/05/387579505.db2.gz RODIRKFEAFOEPX-JKSUJKDBSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000116743775 323668650 /nfs/dbraw/zinc/66/86/50/323668650.db2.gz RODIRKFEAFOEPX-HZPDHXFCSA-N 1 0 229.367 3.706 20 0 BHADRO c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000116863193 342938841 /nfs/dbraw/zinc/93/88/41/342938841.db2.gz MWXBARMTPVFCRW-UHFFFAOYSA-N 1 0 237.346 3.949 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000116876650 388072227 /nfs/dbraw/zinc/07/22/27/388072227.db2.gz LUCPYTHYHJRDAM-ZDUSSCGKSA-N 1 0 229.323 3.515 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000116876652 388071647 /nfs/dbraw/zinc/07/16/47/388071647.db2.gz LUCPYTHYHJRDAM-CYBMUJFWSA-N 1 0 229.323 3.515 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCCCOC)cc1 ZINC000116876663 323889134 /nfs/dbraw/zinc/88/91/34/323889134.db2.gz LUHRYCHDWJHWIG-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCCCOC)cc1 ZINC000116876665 388072709 /nfs/dbraw/zinc/07/27/09/388072709.db2.gz LUHRYCHDWJHWIG-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO COCCCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000116876780 323889178 /nfs/dbraw/zinc/88/91/78/323889178.db2.gz FAXHARYXHKRRRN-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO COCCCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000116876782 388071848 /nfs/dbraw/zinc/07/18/48/388071848.db2.gz FAXHARYXHKRRRN-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000116877847 344737401 /nfs/dbraw/zinc/73/74/01/344737401.db2.gz ICCJMIPMVWFQAM-STQMWFEESA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000116877849 344737382 /nfs/dbraw/zinc/73/73/82/344737382.db2.gz ICCJMIPMVWFQAM-OLZOCXBDSA-N 1 0 217.356 3.520 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccccc1)C(C)C ZINC000116878151 388072649 /nfs/dbraw/zinc/07/26/49/388072649.db2.gz VTUCGNGLZNJQBV-CYBMUJFWSA-N 1 0 205.345 3.520 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccccc1)C(C)C ZINC000116878152 388072538 /nfs/dbraw/zinc/07/25/38/388072538.db2.gz VTUCGNGLZNJQBV-ZDUSSCGKSA-N 1 0 205.345 3.520 20 0 BHADRO COCCCCC[N@H+](C(C)C)C1CCCCC1 ZINC000116878276 388072355 /nfs/dbraw/zinc/07/23/55/388072355.db2.gz QTVPIIDVADTAGA-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO C[C@@H](C[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000116878981 344737198 /nfs/dbraw/zinc/73/71/98/344737198.db2.gz DQYXKLKGUXFFMR-AWEZNQCLSA-N 1 0 237.346 3.806 20 0 BHADRO C[C@H](C[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000116878983 344737192 /nfs/dbraw/zinc/73/71/92/344737192.db2.gz DQYXKLKGUXFFMR-CQSZACIVSA-N 1 0 237.346 3.806 20 0 BHADRO Cc1ccc(F)c(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000116911915 388073380 /nfs/dbraw/zinc/07/33/80/388073380.db2.gz LTGUBUWIBRDPFC-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000116912119 388073942 /nfs/dbraw/zinc/07/39/42/388073942.db2.gz MWUOLJPCPLYDHG-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000116912120 323889944 /nfs/dbraw/zinc/88/99/44/323889944.db2.gz MWUOLJPCPLYDHG-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2F)cc1 ZINC000116912223 323889810 /nfs/dbraw/zinc/88/98/10/323889810.db2.gz HPBWFNZLWAITDI-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCc2cccs2)c1 ZINC000116912291 388073918 /nfs/dbraw/zinc/07/39/18/388073918.db2.gz GFIHTCRWGQADEO-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1ccc(F)c(C[NH2+]Cc2ccccc2C)c1 ZINC000116912337 323890130 /nfs/dbraw/zinc/89/01/30/323890130.db2.gz GFDHASKAFZXXMH-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(F)c(C[NH2+]Cc2cccc(F)c2)c1 ZINC000116912927 323889607 /nfs/dbraw/zinc/88/96/07/323889607.db2.gz LZXUYDTZHWIRAY-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2F)s1 ZINC000116913843 383952922 /nfs/dbraw/zinc/95/29/22/383952922.db2.gz SADOREVKRQRSGB-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1csc(C[NH2+]C2(C)CCC(C)CC2)n1 ZINC000117385823 387020186 /nfs/dbraw/zinc/02/01/86/387020186.db2.gz DQFIXTJDSAGYNU-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)(C[NH2+]Cc1ccco1)Cc1ccccc1 ZINC000117392221 370912917 /nfs/dbraw/zinc/91/29/17/370912917.db2.gz BYJIOTTZADBLGF-UHFFFAOYSA-N 1 0 243.350 3.638 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000117393151 384625245 /nfs/dbraw/zinc/62/52/45/384625245.db2.gz ZAMUSORFMVLAHX-NWDGAFQWSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000117393153 384626367 /nfs/dbraw/zinc/62/63/67/384626367.db2.gz ZAMUSORFMVLAHX-RYUDHWBXSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000117393156 384624920 /nfs/dbraw/zinc/62/49/20/384624920.db2.gz ZAMUSORFMVLAHX-VXGBXAGGSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000117393159 384625662 /nfs/dbraw/zinc/62/56/62/384625662.db2.gz ZAMUSORFMVLAHX-NEPJUHHUSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000117393457 384625482 /nfs/dbraw/zinc/62/54/82/384625482.db2.gz CZERJYCBGWVNEG-WDEREUQCSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000117393461 175567729 /nfs/dbraw/zinc/56/77/29/175567729.db2.gz CZERJYCBGWVNEG-QWRGUYRKSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000117393463 384627156 /nfs/dbraw/zinc/62/71/56/384627156.db2.gz CZERJYCBGWVNEG-GHMZBOCLSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000117393467 175567580 /nfs/dbraw/zinc/56/75/80/175567580.db2.gz CZERJYCBGWVNEG-MNOVXSKESA-N 1 0 241.425 3.512 20 0 BHADRO CC[C@@H](C)[N@H+](CCCCOC)Cc1ccccc1 ZINC000117871095 387030513 /nfs/dbraw/zinc/03/05/13/387030513.db2.gz QQMZGZTVTHZUJE-OAHLLOKOSA-N 1 0 249.398 3.714 20 0 BHADRO CC[C@H](C)[N@H+](CCCCOC)Cc1ccccc1 ZINC000117871098 171313953 /nfs/dbraw/zinc/31/39/53/171313953.db2.gz QQMZGZTVTHZUJE-HNNXBMFYSA-N 1 0 249.398 3.714 20 0 BHADRO CCCCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000117873449 388091940 /nfs/dbraw/zinc/09/19/40/388091940.db2.gz AVBGOTJSVZELPI-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000117875215 388092575 /nfs/dbraw/zinc/09/25/75/388092575.db2.gz KIEAQQGSUVVVPH-OAHLLOKOSA-N 1 0 249.398 3.723 20 0 BHADRO COCCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000117875218 388092354 /nfs/dbraw/zinc/09/23/54/388092354.db2.gz KIEAQQGSUVVVPH-HNNXBMFYSA-N 1 0 249.398 3.723 20 0 BHADRO CCCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000117876135 387550791 /nfs/dbraw/zinc/55/07/91/387550791.db2.gz JBYWZLDPZKHUJI-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000117876246 387031687 /nfs/dbraw/zinc/03/16/87/387031687.db2.gz FIDNRQHJSKBAIX-LBPRGKRZSA-N 1 0 238.400 3.513 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000117876249 387030385 /nfs/dbraw/zinc/03/03/85/387030385.db2.gz FIDNRQHJSKBAIX-GFCCVEGCSA-N 1 0 238.400 3.513 20 0 BHADRO COCCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000117879432 174201470 /nfs/dbraw/zinc/20/14/70/174201470.db2.gz GZDUCGFCCSFCKA-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000117879435 174203490 /nfs/dbraw/zinc/20/34/90/174203490.db2.gz GZDUCGFCCSFCKA-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000117881164 386033043 /nfs/dbraw/zinc/03/30/43/386033043.db2.gz KYVGVKYRSVYUJK-NSHDSACASA-N 1 0 240.416 3.943 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000117881167 386033081 /nfs/dbraw/zinc/03/30/81/386033081.db2.gz KYVGVKYRSVYUJK-LLVKDONJSA-N 1 0 240.416 3.943 20 0 BHADRO COCCCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000117883191 388091970 /nfs/dbraw/zinc/09/19/70/388091970.db2.gz MYSSIBLHKUIDDG-INIZCTEOSA-N 1 0 249.398 3.742 20 0 BHADRO COCCCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000117883193 388092278 /nfs/dbraw/zinc/09/22/78/388092278.db2.gz MYSSIBLHKUIDDG-MRXNPFEDSA-N 1 0 249.398 3.742 20 0 BHADRO CC(C)[C@@H](C[NH2+]C1CCCC1)Nc1ccccc1 ZINC000118449223 589173942 /nfs/dbraw/zinc/17/39/42/589173942.db2.gz HVYLAUGYHWKLKH-MRXNPFEDSA-N 1 0 246.398 3.655 20 0 BHADRO CC(C)[C@H](C[NH2+]C1CCCC1)Nc1ccccc1 ZINC000118449226 589174115 /nfs/dbraw/zinc/17/41/15/589174115.db2.gz HVYLAUGYHWKLKH-INIZCTEOSA-N 1 0 246.398 3.655 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)c1cccc(F)c1 ZINC000118453944 589174012 /nfs/dbraw/zinc/17/40/12/589174012.db2.gz JEAUTUPNLNXVLZ-UHFFFAOYSA-N 1 0 235.346 3.636 20 0 BHADRO c1ccc(OC2CCC2)c(C[NH2+]C2CCCC2)c1 ZINC000118454621 589174488 /nfs/dbraw/zinc/17/44/88/589174488.db2.gz UBLNLBQTULLKAD-UHFFFAOYSA-N 1 0 245.366 3.650 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2c1cccc2F ZINC000118825821 323906658 /nfs/dbraw/zinc/90/66/58/323906658.db2.gz NIHDGKBVKDVDPC-CQSZACIVSA-N 1 0 221.319 3.591 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2c1cccc2F ZINC000118825823 323906705 /nfs/dbraw/zinc/90/67/05/323906705.db2.gz NIHDGKBVKDVDPC-AWEZNQCLSA-N 1 0 221.319 3.591 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccncc2)cc1 ZINC000118888536 384216860 /nfs/dbraw/zinc/21/68/60/384216860.db2.gz MVDCWCKKTBTSTH-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccncc2)cc1 ZINC000118888537 384217546 /nfs/dbraw/zinc/21/75/46/384217546.db2.gz MVDCWCKKTBTSTH-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)C(C)(C)C ZINC000118945874 323908391 /nfs/dbraw/zinc/90/83/91/323908391.db2.gz ZMVHFOOGPLWKSR-GRTSSRMGSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(C)(C)C ZINC000118946020 388099977 /nfs/dbraw/zinc/09/99/77/388099977.db2.gz ZMVHFOOGPLWKSR-LRVUVFPRSA-N 1 0 231.383 3.957 20 0 BHADRO Cc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000118950035 188354882 /nfs/dbraw/zinc/35/48/82/188354882.db2.gz DJFQEBQBZLXFQY-LSDHHAIUSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000118950165 179148138 /nfs/dbraw/zinc/14/81/38/179148138.db2.gz DJFQEBQBZLXFQY-HUUCEWRRSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000118950247 385611743 /nfs/dbraw/zinc/61/17/43/385611743.db2.gz DJFQEBQBZLXFQY-GJZGRUSLSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cccc(NC[C@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000118950327 179147811 /nfs/dbraw/zinc/14/78/11/179147811.db2.gz DJFQEBQBZLXFQY-CABCVRRESA-N 1 0 238.334 3.606 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CCC1 ZINC000118950961 388100503 /nfs/dbraw/zinc/10/05/03/388100503.db2.gz IOVBRWHHXXMWPR-JQRITLKVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CCC1 ZINC000118951048 388099775 /nfs/dbraw/zinc/09/97/75/388099775.db2.gz IOVBRWHHXXMWPR-UWTIGNOOSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)(C)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000118973457 387081779 /nfs/dbraw/zinc/08/17/79/387081779.db2.gz DODZBPOASPGGSU-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nccn1C(C)C ZINC000118984367 168317587 /nfs/dbraw/zinc/31/75/87/168317587.db2.gz SXUXBNWFJNXKAQ-UHFFFAOYSA-N 1 0 237.391 3.522 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccc(Cl)n1 ZINC000118990570 589227358 /nfs/dbraw/zinc/22/73/58/589227358.db2.gz MYXKHRIBVMVKHX-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CCCCCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119025334 589231430 /nfs/dbraw/zinc/23/14/30/589231430.db2.gz SDIVKQBEMNKIFU-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO CCOCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119038132 170382116 /nfs/dbraw/zinc/38/21/16/170382116.db2.gz GJMYWWDHDPUVCW-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119038235 170382868 /nfs/dbraw/zinc/38/28/68/170382868.db2.gz GJMYWWDHDPUVCW-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000119042854 179178835 /nfs/dbraw/zinc/17/88/35/179178835.db2.gz KPIFBTSSDABEHS-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1F ZINC000119103344 388104750 /nfs/dbraw/zinc/10/47/50/388104750.db2.gz LHBDCMJITCZVFO-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1F ZINC000119103466 388104500 /nfs/dbraw/zinc/10/45/00/388104500.db2.gz LHBDCMJITCZVFO-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO FCCC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119103502 323911185 /nfs/dbraw/zinc/91/11/85/323911185.db2.gz SGSSECMGSLRNLS-HOTGVXAUSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119103529 388104524 /nfs/dbraw/zinc/10/45/24/388104524.db2.gz SGSSECMGSLRNLS-CVEARBPZSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119103634 388104367 /nfs/dbraw/zinc/10/43/67/388104367.db2.gz SGSSECMGSLRNLS-JKSUJKDBSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119103733 323910798 /nfs/dbraw/zinc/91/07/98/323910798.db2.gz SGSSECMGSLRNLS-HZPDHXFCSA-N 1 0 249.373 3.737 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)Cc2ccsc2)c(C)o1 ZINC000119112301 589242709 /nfs/dbraw/zinc/24/27/09/589242709.db2.gz WNUXDBFAJIDVRJ-JTQLQIEISA-N 1 0 249.379 3.679 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)Cc2ccsc2)c(C)o1 ZINC000119112404 589242515 /nfs/dbraw/zinc/24/25/15/589242515.db2.gz WNUXDBFAJIDVRJ-SNVBAGLBSA-N 1 0 249.379 3.679 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CC1CCC1)C1CC1 ZINC000119112451 388104575 /nfs/dbraw/zinc/10/45/75/388104575.db2.gz BDIFBXXHXQLACT-NSHDSACASA-N 1 0 219.328 3.605 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CC1CCC1)C1CC1 ZINC000119112563 388104757 /nfs/dbraw/zinc/10/47/57/388104757.db2.gz BDIFBXXHXQLACT-LLVKDONJSA-N 1 0 219.328 3.605 20 0 BHADRO CSCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119132797 384238075 /nfs/dbraw/zinc/23/80/75/384238075.db2.gz MCSMBYKEDGYNAP-NSHDSACASA-N 1 0 239.384 3.558 20 0 BHADRO CSCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119132930 384238363 /nfs/dbraw/zinc/23/83/63/384238363.db2.gz MCSMBYKEDGYNAP-LLVKDONJSA-N 1 0 239.384 3.558 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000119172027 323913652 /nfs/dbraw/zinc/91/36/52/323913652.db2.gz JDYUDVCGEDBKSE-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000119172139 384242414 /nfs/dbraw/zinc/24/24/14/384242414.db2.gz JDYUDVCGEDBKSE-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000119172256 388106840 /nfs/dbraw/zinc/10/68/40/388106840.db2.gz JDYUDVCGEDBKSE-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000119172341 388106598 /nfs/dbraw/zinc/10/65/98/388106598.db2.gz JDYUDVCGEDBKSE-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO CCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119182183 388106603 /nfs/dbraw/zinc/10/66/03/388106603.db2.gz OXKVBPXROIAPGN-NSHDSACASA-N 1 0 207.317 3.605 20 0 BHADRO CCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119182290 388106982 /nfs/dbraw/zinc/10/69/82/388106982.db2.gz OXKVBPXROIAPGN-LLVKDONJSA-N 1 0 207.317 3.605 20 0 BHADRO CCSCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119183481 384244891 /nfs/dbraw/zinc/24/48/91/384244891.db2.gz WLQHGYLWVHCENL-NSHDSACASA-N 1 0 239.384 3.558 20 0 BHADRO CCSCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119183619 384245138 /nfs/dbraw/zinc/24/51/38/384245138.db2.gz WLQHGYLWVHCENL-LLVKDONJSA-N 1 0 239.384 3.558 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CCSC2)C2CCC2)cc1 ZINC000119231403 487536059 /nfs/dbraw/zinc/53/60/59/487536059.db2.gz ZGDYNRFQIOBTPD-CABCVRRESA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CCSC2)C2CCC2)cc1 ZINC000119231583 487535902 /nfs/dbraw/zinc/53/59/02/487535902.db2.gz ZGDYNRFQIOBTPD-HUUCEWRRSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CCSC2)C2CCC2)cc1 ZINC000119231677 487535238 /nfs/dbraw/zinc/53/52/38/487535238.db2.gz ZGDYNRFQIOBTPD-GJZGRUSLSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CCSC2)C2CCC2)cc1 ZINC000119231796 487535884 /nfs/dbraw/zinc/53/58/84/487535884.db2.gz ZGDYNRFQIOBTPD-LSDHHAIUSA-N 1 0 247.407 3.623 20 0 BHADRO CC(C)=CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119236777 388112236 /nfs/dbraw/zinc/11/22/36/388112236.db2.gz CUCNMBYBRZBCOF-LBPRGKRZSA-N 1 0 219.328 3.771 20 0 BHADRO CC(C)=CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119236867 388112162 /nfs/dbraw/zinc/11/21/62/388112162.db2.gz CUCNMBYBRZBCOF-GFCCVEGCSA-N 1 0 219.328 3.771 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCF ZINC000119268747 176014247 /nfs/dbraw/zinc/01/42/47/176014247.db2.gz JAQCURQJCOCIDJ-JTQLQIEISA-N 1 0 229.726 3.692 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCF ZINC000119268910 177033464 /nfs/dbraw/zinc/03/34/64/177033464.db2.gz JAQCURQJCOCIDJ-SNVBAGLBSA-N 1 0 229.726 3.692 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119270118 343071083 /nfs/dbraw/zinc/07/10/83/343071083.db2.gz OTDBSQUMAYJHHE-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119270321 343071338 /nfs/dbraw/zinc/07/13/38/343071338.db2.gz OTDBSQUMAYJHHE-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C)cc1SC ZINC000119281100 398192926 /nfs/dbraw/zinc/19/29/26/398192926.db2.gz NOXKQOACCBCGGV-LLVKDONJSA-N 1 0 223.385 3.605 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C)cc1SC ZINC000119281229 398193025 /nfs/dbraw/zinc/19/30/25/398193025.db2.gz NOXKQOACCBCGGV-NSHDSACASA-N 1 0 223.385 3.605 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@@H](C)C1CC1 ZINC000119287276 491129302 /nfs/dbraw/zinc/12/93/02/491129302.db2.gz VBSHJPHTSQJZMY-NSHDSACASA-N 1 0 235.396 3.605 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@H](C)C1CC1 ZINC000119287418 398193616 /nfs/dbraw/zinc/19/36/16/398193616.db2.gz VBSHJPHTSQJZMY-LLVKDONJSA-N 1 0 235.396 3.605 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119292067 323917349 /nfs/dbraw/zinc/91/73/49/323917349.db2.gz ZHCJSXJPMOTZFG-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119292195 398193596 /nfs/dbraw/zinc/19/35/96/398193596.db2.gz ZHCJSXJPMOTZFG-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119292316 398193658 /nfs/dbraw/zinc/19/36/58/398193658.db2.gz ZHCJSXJPMOTZFG-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119292460 398193837 /nfs/dbraw/zinc/19/38/37/398193837.db2.gz ZHCJSXJPMOTZFG-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1cccnc1 ZINC000119320486 388112909 /nfs/dbraw/zinc/11/29/09/388112909.db2.gz SBEVQKGXUAKUTC-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1cccnc1 ZINC000119320626 323920995 /nfs/dbraw/zinc/92/09/95/323920995.db2.gz SBEVQKGXUAKUTC-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1ccncc1 ZINC000119320927 168316448 /nfs/dbraw/zinc/31/64/48/168316448.db2.gz WIHLWOUNLCKBAE-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1ccncc1 ZINC000119321066 168316718 /nfs/dbraw/zinc/31/67/18/168316718.db2.gz WIHLWOUNLCKBAE-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO Fc1cc(F)cc(C[NH2+]CCC2=CCCC2)c1 ZINC000119322878 387118480 /nfs/dbraw/zinc/11/84/80/387118480.db2.gz UEERHWOAAIAHRD-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119332565 343072067 /nfs/dbraw/zinc/07/20/67/343072067.db2.gz QQUKUGWYKQAHSA-UONOGXRCSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119332672 343072225 /nfs/dbraw/zinc/07/22/25/343072225.db2.gz QQUKUGWYKQAHSA-ZIAGYGMSSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119332806 343072062 /nfs/dbraw/zinc/07/20/62/343072062.db2.gz QQUKUGWYKQAHSA-KBPBESRZSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119332919 343072713 /nfs/dbraw/zinc/07/27/13/343072713.db2.gz QQUKUGWYKQAHSA-KGLIPLIRSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000119345469 176862904 /nfs/dbraw/zinc/86/29/04/176862904.db2.gz FMQJUJXXUUKEBR-AEGPPILISA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000119345714 176870875 /nfs/dbraw/zinc/87/08/75/176870875.db2.gz FMQJUJXXUUKEBR-NWANDNLSSA-N 1 0 229.367 3.568 20 0 BHADRO CC1([NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000119351722 323919839 /nfs/dbraw/zinc/91/98/39/323919839.db2.gz AVQUOLNVYASJEG-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000119352204 388112823 /nfs/dbraw/zinc/11/28/23/388112823.db2.gz LNXWJOIKWKZYTA-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000119352328 388113325 /nfs/dbraw/zinc/11/33/25/388113325.db2.gz LNXWJOIKWKZYTA-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO Cl/C=C/C[NH+](C/C=C/Cl)C1CCCC1 ZINC000119360767 642312452 /nfs/dbraw/zinc/31/24/52/642312452.db2.gz YTWSXOLBOCLQMT-FCXRPNKRSA-N 1 0 234.170 3.736 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119370114 343073263 /nfs/dbraw/zinc/07/32/63/343073263.db2.gz CLSABHXCHAONRU-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119370247 343073184 /nfs/dbraw/zinc/07/31/84/343073184.db2.gz CLSABHXCHAONRU-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119370387 343073177 /nfs/dbraw/zinc/07/31/77/343073177.db2.gz CLSABHXCHAONRU-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119370557 343073075 /nfs/dbraw/zinc/07/30/75/343073075.db2.gz CLSABHXCHAONRU-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000119372096 387131453 /nfs/dbraw/zinc/13/14/53/387131453.db2.gz UVKNTJYBSMJYEZ-UHFFFAOYSA-N 1 0 223.747 3.575 20 0 BHADRO CC(C)([NH2+]Cc1ccco1)c1cccc(Cl)c1 ZINC000119374202 188328360 /nfs/dbraw/zinc/32/83/60/188328360.db2.gz GDLXZKZZQGTIAP-UHFFFAOYSA-N 1 0 249.741 3.958 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000119379167 387125327 /nfs/dbraw/zinc/12/53/27/387125327.db2.gz DXVKBGJSIJXWLH-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000119379315 387124451 /nfs/dbraw/zinc/12/44/51/387124451.db2.gz DXVKBGJSIJXWLH-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO CCc1noc(C)c1C[NH2+]C(CC)(CC)CC ZINC000119403120 323921627 /nfs/dbraw/zinc/92/16/27/323921627.db2.gz CHYZVHWGVLNPDF-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(F)(F)F)ccc1F ZINC000119415380 323925261 /nfs/dbraw/zinc/92/52/61/323925261.db2.gz YIHINGANYPBBGK-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(F)(F)F)ccc1F ZINC000119415505 323925293 /nfs/dbraw/zinc/92/52/93/323925293.db2.gz YIHINGANYPBBGK-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccoc2)ccc1F ZINC000119417179 323925146 /nfs/dbraw/zinc/92/51/46/323925146.db2.gz JUSTUGKUHUDFDW-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccoc2)ccc1F ZINC000119417319 387132735 /nfs/dbraw/zinc/13/27/35/387132735.db2.gz JUSTUGKUHUDFDW-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c(C)o1 ZINC000119431348 178230400 /nfs/dbraw/zinc/23/04/00/178230400.db2.gz IGIBDXNKZXGRBK-IONNQARKSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c(C)o1 ZINC000119431475 178252349 /nfs/dbraw/zinc/25/23/49/178252349.db2.gz IGIBDXNKZXGRBK-CBAPKCEASA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c(C)o1 ZINC000119431615 178233446 /nfs/dbraw/zinc/23/34/46/178233446.db2.gz IGIBDXNKZXGRBK-VXNVDRBHSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c(C)o1 ZINC000119431739 178255590 /nfs/dbraw/zinc/25/55/90/178255590.db2.gz IGIBDXNKZXGRBK-APPZFPTMSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1ccsc1C[N@@H+](C)CC(C)(C)C ZINC000119438446 387134831 /nfs/dbraw/zinc/13/48/31/387134831.db2.gz KGZJMCHKUZRPKL-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccco1 ZINC000119458551 323924203 /nfs/dbraw/zinc/92/42/03/323924203.db2.gz IHTVYEKVMKNMJV-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccco1 ZINC000119458631 323924153 /nfs/dbraw/zinc/92/41/53/323924153.db2.gz IHTVYEKVMKNMJV-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000119498629 188247567 /nfs/dbraw/zinc/24/75/67/188247567.db2.gz SUYCXJQNKWIMSJ-SNVBAGLBSA-N 1 0 248.757 3.776 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000119498777 171343442 /nfs/dbraw/zinc/34/34/42/171343442.db2.gz SUYCXJQNKWIMSJ-JTQLQIEISA-N 1 0 248.757 3.776 20 0 BHADRO CC[C@H]([NH2+]CCCCC(C)(C)C)[C@@H]1CCOC1 ZINC000119523013 387136538 /nfs/dbraw/zinc/13/65/38/387136538.db2.gz IDVLHNNIQJBVIT-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCCC(C)(C)C)[C@@H]1CCOC1 ZINC000119523163 387135975 /nfs/dbraw/zinc/13/59/75/387135975.db2.gz IDVLHNNIQJBVIT-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCCCC(C)(C)C)[C@H]1CCOC1 ZINC000119523314 387136113 /nfs/dbraw/zinc/13/61/13/387136113.db2.gz IDVLHNNIQJBVIT-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCCC(C)(C)C)[C@H]1CCOC1 ZINC000119523461 323926083 /nfs/dbraw/zinc/92/60/83/323926083.db2.gz IDVLHNNIQJBVIT-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO c1cncc(C[NH2+]CCCC2CCCCC2)c1 ZINC000119526870 385124934 /nfs/dbraw/zinc/12/49/34/385124934.db2.gz FCSNWTUHRMCRTC-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO C(C[NH2+]C1CCSCC1)CC1CCCCC1 ZINC000119527698 323927239 /nfs/dbraw/zinc/92/72/39/323927239.db2.gz HJACKVCEXYXLOL-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)C1CCOCC1 ZINC000119530940 323927310 /nfs/dbraw/zinc/92/73/10/323927310.db2.gz ZYHVDFCCZVYCCF-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)C1CCOCC1 ZINC000119531054 387135685 /nfs/dbraw/zinc/13/56/85/387135685.db2.gz ZYHVDFCCZVYCCF-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[N@H+](Cc1nc(C(C)(C)C)cs1)C(C)C ZINC000119562122 387139695 /nfs/dbraw/zinc/13/96/95/387139695.db2.gz IIEHJFKLWCIRKN-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000119575313 387140362 /nfs/dbraw/zinc/14/03/62/387140362.db2.gz AWANOZLQHYUOBT-TUAOUCFPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000119575635 323929799 /nfs/dbraw/zinc/92/97/99/323929799.db2.gz AWANOZLQHYUOBT-QJPTWQEYSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000119580279 387140067 /nfs/dbraw/zinc/14/00/67/387140067.db2.gz CJEJRSLDRCNNSA-GUTXKFCHSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000119580597 323399766 /nfs/dbraw/zinc/39/97/66/323399766.db2.gz CJEJRSLDRCNNSA-GZBFAFLISA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccco1 ZINC000119593370 347297730 /nfs/dbraw/zinc/29/77/30/347297730.db2.gz RSJQWOWRSHEDLX-TUAOUCFPSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000119593596 171001241 /nfs/dbraw/zinc/00/12/41/171001241.db2.gz RSJQWOWRSHEDLX-QJPTWQEYSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000119604787 344855285 /nfs/dbraw/zinc/85/52/85/344855285.db2.gz BUMUOPPPXUJHKD-GUTXKFCHSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000119604984 171001918 /nfs/dbraw/zinc/00/19/18/171001918.db2.gz BUMUOPPPXUJHKD-GZBFAFLISA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1CCC1 ZINC000119614439 487559098 /nfs/dbraw/zinc/55/90/98/487559098.db2.gz BDWWGWHZYTUGAR-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1CCC1 ZINC000119614588 487558977 /nfs/dbraw/zinc/55/89/77/487558977.db2.gz BDWWGWHZYTUGAR-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCF ZINC000119630003 387142975 /nfs/dbraw/zinc/14/29/75/387142975.db2.gz KRCVPORIBSCIGP-LUAWRHEFSA-N 1 0 241.737 3.693 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)C1CCC1 ZINC000119650400 387555202 /nfs/dbraw/zinc/55/52/02/387555202.db2.gz QLOQKMQAGONCQL-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)C1CCC1 ZINC000119650536 387555158 /nfs/dbraw/zinc/55/51/58/387555158.db2.gz QLOQKMQAGONCQL-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2CCSCC2)cc1 ZINC000119675621 490051359 /nfs/dbraw/zinc/05/13/59/490051359.db2.gz VVSNKSBGKMMXGF-ZDUSSCGKSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2CCSCC2)cc1 ZINC000119675742 490051338 /nfs/dbraw/zinc/05/13/38/490051338.db2.gz VVSNKSBGKMMXGF-CYBMUJFWSA-N 1 0 249.423 3.584 20 0 BHADRO CC(C)[N@H+](CCc1cccs1)C1CCC1 ZINC000119700840 589324677 /nfs/dbraw/zinc/32/46/77/589324677.db2.gz HIYQDRYGZGADKC-UHFFFAOYSA-N 1 0 223.385 3.554 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2CCCC2)cc1 ZINC000119701689 344463663 /nfs/dbraw/zinc/46/36/63/344463663.db2.gz AWLROTGMMZTKPY-ZDUSSCGKSA-N 1 0 217.356 3.631 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2CCCC2)cc1 ZINC000119701819 344463548 /nfs/dbraw/zinc/46/35/48/344463548.db2.gz AWLROTGMMZTKPY-CYBMUJFWSA-N 1 0 217.356 3.631 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)cc1)C1CCC1 ZINC000119716630 385150504 /nfs/dbraw/zinc/15/05/04/385150504.db2.gz LRCPPTZTKNBODX-UHFFFAOYSA-N 1 0 221.319 3.589 20 0 BHADRO CCCC1CCC([NH2+]CCCCCOC)CC1 ZINC000119770620 589333649 /nfs/dbraw/zinc/33/36/49/589333649.db2.gz RBOMSHBVZMISSR-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000119774602 174183135 /nfs/dbraw/zinc/18/31/35/174183135.db2.gz CJZIRDWCGBLMDU-UHFFFAOYSA-N 1 0 249.398 3.518 20 0 BHADRO COCCCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000119776112 174182229 /nfs/dbraw/zinc/18/22/29/174182229.db2.gz PPVMNIBAHPCWLU-UHFFFAOYSA-N 1 0 249.398 3.518 20 0 BHADRO COCCCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000119779476 174182457 /nfs/dbraw/zinc/18/24/57/174182457.db2.gz RRTNCUKWGWERPE-UHFFFAOYSA-N 1 0 249.398 3.716 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccco1 ZINC000119802971 323937052 /nfs/dbraw/zinc/93/70/52/323937052.db2.gz OGWPNNJNKLVQPX-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cccnc1C ZINC000119804659 168350017 /nfs/dbraw/zinc/35/00/17/168350017.db2.gz LEHPJPLRBJRVIW-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1scnc1C ZINC000119805079 387147296 /nfs/dbraw/zinc/14/72/96/387147296.db2.gz OCKYYAHPPSAWET-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000119826242 387144437 /nfs/dbraw/zinc/14/44/37/387144437.db2.gz JSCJPKLAFMICNX-LLVKDONJSA-N 1 0 246.379 3.698 20 0 BHADRO CC[C@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000119826428 323934793 /nfs/dbraw/zinc/93/47/93/323934793.db2.gz JSCJPKLAFMICNX-NSHDSACASA-N 1 0 246.379 3.698 20 0 BHADRO Cc1cc(C[NH2+]CCSC(C)(C)C)c(C)o1 ZINC000119850299 589345376 /nfs/dbraw/zinc/34/53/76/589345376.db2.gz HFHDABLCLGGOOL-UHFFFAOYSA-N 1 0 241.400 3.518 20 0 BHADRO Cl/C=C/C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119869497 589345670 /nfs/dbraw/zinc/34/56/70/589345670.db2.gz FUJSZNNLITVIAU-SEIPJRMCSA-N 1 0 235.758 3.870 20 0 BHADRO Cl/C=C/C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119869692 589345693 /nfs/dbraw/zinc/34/56/93/589345693.db2.gz FUJSZNNLITVIAU-AZWQULSGSA-N 1 0 235.758 3.870 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1cncs1 ZINC000119878801 360000004 /nfs/dbraw/zinc/00/00/04/360000004.db2.gz IVIWLBPCSMWMLU-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1cncs1 ZINC000119878943 359999802 /nfs/dbraw/zinc/99/98/02/359999802.db2.gz IVIWLBPCSMWMLU-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1cncs1 ZINC000119879055 359999944 /nfs/dbraw/zinc/99/99/44/359999944.db2.gz IVIWLBPCSMWMLU-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1cncs1 ZINC000119879170 359999908 /nfs/dbraw/zinc/99/99/08/359999908.db2.gz IVIWLBPCSMWMLU-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1ccc(C[NH+]2Cc3ccccc3C2)s1 ZINC000119951865 384037957 /nfs/dbraw/zinc/03/79/57/384037957.db2.gz IJHIDEWOMNRFSZ-UHFFFAOYSA-N 1 0 229.348 3.572 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000119952103 384039243 /nfs/dbraw/zinc/03/92/43/384039243.db2.gz DPJLTBSZSSCQSP-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@H]1CCCCC1(C)C ZINC000119952242 384038353 /nfs/dbraw/zinc/03/83/53/384038353.db2.gz DPJLTBSZSSCQSP-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccsc1C[NH+]1Cc2ccccc2C1 ZINC000119956753 384034582 /nfs/dbraw/zinc/03/45/82/384034582.db2.gz RGCYOEHFFVVGFB-UHFFFAOYSA-N 1 0 229.348 3.572 20 0 BHADRO CCCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000119974146 589353646 /nfs/dbraw/zinc/35/36/46/589353646.db2.gz JKEDUXOJSZDDSO-UHFFFAOYSA-N 1 0 246.379 3.700 20 0 BHADRO CC(C)[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000119974565 323084249 /nfs/dbraw/zinc/08/42/49/323084249.db2.gz CMXHMLXBSFFGOX-UHFFFAOYSA-N 1 0 223.747 3.717 20 0 BHADRO c1cc2c(cccc2C[NH+]2Cc3ccccc3C2)[nH]1 ZINC000119975933 537816782 /nfs/dbraw/zinc/81/67/82/537816782.db2.gz KLIHPQXJSJMABL-UHFFFAOYSA-N 1 0 248.329 3.684 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1occc1C ZINC000119999121 353693676 /nfs/dbraw/zinc/69/36/76/353693676.db2.gz BNNXWEMGUJCFSF-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO FCCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000120059165 387153904 /nfs/dbraw/zinc/15/39/04/387153904.db2.gz KXYUAOVPGFUWBK-UHFFFAOYSA-N 1 0 247.313 3.641 20 0 BHADRO C[N@H+](Cc1ccsc1)C1CCCCC1 ZINC000120078814 387157772 /nfs/dbraw/zinc/15/77/72/387157772.db2.gz RCBCNGURQAKLFD-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO COc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000120079008 387175388 /nfs/dbraw/zinc/17/53/88/387175388.db2.gz XWOHTNGGGSXQSX-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO Oc1ccc(C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000120081624 183268750 /nfs/dbraw/zinc/26/87/50/183268750.db2.gz GHCKTAOEYLYUJA-UHFFFAOYSA-N 1 0 245.366 3.514 20 0 BHADRO c1csc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000120081751 387176799 /nfs/dbraw/zinc/17/67/99/387176799.db2.gz KCBGBRZBKMVOTM-UHFFFAOYSA-N 1 0 221.369 3.655 20 0 BHADRO COc1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000120083897 387179485 /nfs/dbraw/zinc/17/94/85/387179485.db2.gz FNLGRIMLDIPMBY-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2)c(C)o1 ZINC000120107487 589377366 /nfs/dbraw/zinc/37/73/66/589377366.db2.gz LYUKJYHZLMGDJI-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO C[C@@H]1C[N@@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000120107606 387173100 /nfs/dbraw/zinc/17/31/00/387173100.db2.gz ZYUQZPIGHGTGMU-DOMZBBRYSA-N 1 0 215.340 3.622 20 0 BHADRO C[C@H]1C[N@@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000120107731 387173729 /nfs/dbraw/zinc/17/37/29/387173729.db2.gz ZYUQZPIGHGTGMU-WFASDCNBSA-N 1 0 215.340 3.622 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2)c(C)o1 ZINC000120108174 589377672 /nfs/dbraw/zinc/37/76/72/589377672.db2.gz LYUKJYHZLMGDJI-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO C[C@@H]1OCC[C@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000120109533 387173681 /nfs/dbraw/zinc/17/36/81/387173681.db2.gz FXNDTPFFXYAOQS-CFVMTHIKSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]1OCC[C@@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000120109827 323976401 /nfs/dbraw/zinc/97/64/01/323976401.db2.gz FXNDTPFFXYAOQS-QEJZJMRPSA-N 1 0 247.382 3.541 20 0 BHADRO CC[N@H+](CCCCCOC)[C@@H]1CCCC[C@@H]1C ZINC000120120404 387174326 /nfs/dbraw/zinc/17/43/26/387174326.db2.gz XOPRIIQESSBCOQ-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](CCCCCOC)[C@H]1CCCC[C@@H]1C ZINC000120120565 387173312 /nfs/dbraw/zinc/17/33/12/387173312.db2.gz XOPRIIQESSBCOQ-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000120124645 384329511 /nfs/dbraw/zinc/32/95/11/384329511.db2.gz ITOIDDVRMDEHPY-LBPRGKRZSA-N 1 0 221.369 3.828 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000120124810 384329147 /nfs/dbraw/zinc/32/91/47/384329147.db2.gz ITOIDDVRMDEHPY-GFCCVEGCSA-N 1 0 221.369 3.828 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC000120130477 183360658 /nfs/dbraw/zinc/36/06/58/183360658.db2.gz LTSYDVKOCAGVHA-ZDUSSCGKSA-N 1 0 221.369 3.828 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC000120130632 384328602 /nfs/dbraw/zinc/32/86/02/384328602.db2.gz LTSYDVKOCAGVHA-CYBMUJFWSA-N 1 0 221.369 3.828 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C1CC1)C1CCCC1 ZINC000120132197 343109999 /nfs/dbraw/zinc/10/99/99/343109999.db2.gz LUPCFFAPYUXKCB-NSHDSACASA-N 1 0 219.328 3.748 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C1CC1)C1CCCC1 ZINC000120132344 343109956 /nfs/dbraw/zinc/10/99/56/343109956.db2.gz LUPCFFAPYUXKCB-LLVKDONJSA-N 1 0 219.328 3.748 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CCC1=CCCC1 ZINC000120136039 387188472 /nfs/dbraw/zinc/18/84/72/387188472.db2.gz CWPFFPAMSGKJAB-IZZDOVSWSA-N 1 0 227.351 3.790 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000120136881 343109944 /nfs/dbraw/zinc/10/99/44/343109944.db2.gz PWLQXCYYFOXHLG-HNNXBMFYSA-N 1 0 245.366 3.775 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000120137034 343109935 /nfs/dbraw/zinc/10/99/35/343109935.db2.gz PWLQXCYYFOXHLG-OAHLLOKOSA-N 1 0 245.366 3.775 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCC2)s1 ZINC000120137464 178604714 /nfs/dbraw/zinc/60/47/14/178604714.db2.gz PXRJUHSJZSGASE-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO Fc1ccc(C[NH2+]CCC2=CCCC2)cc1F ZINC000120138277 387188377 /nfs/dbraw/zinc/18/83/77/387188377.db2.gz XKVRFQATLDPAFV-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@H+](C)C2CCCC2)s1 ZINC000120139084 343109710 /nfs/dbraw/zinc/10/97/10/343109710.db2.gz UAMJDHHNAVXKKR-SNVBAGLBSA-N 1 0 238.400 3.695 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@H+](C)C2CCCC2)s1 ZINC000120139252 343109968 /nfs/dbraw/zinc/10/99/68/343109968.db2.gz UAMJDHHNAVXKKR-JTQLQIEISA-N 1 0 238.400 3.695 20 0 BHADRO c1nc(C2CC2)sc1C[NH2+]CCC1=CCCC1 ZINC000120140239 323979429 /nfs/dbraw/zinc/97/94/29/323979429.db2.gz UIOFREMTFJRGFY-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO c1cc2c(cccc2C[NH2+]CCC2=CCCC2)[nH]1 ZINC000120153200 187392815 /nfs/dbraw/zinc/39/28/15/187392815.db2.gz NITGNPIQDUHYAJ-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO Cc1csc([C@H]([NH2+][C@@H](C)C(C)C)C2CC2)n1 ZINC000120155812 387191474 /nfs/dbraw/zinc/19/14/74/387191474.db2.gz BFPIRZAINHXFHP-CMPLNLGQSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@@H]([NH2+][C@@H](C)C(C)C)C2CC2)n1 ZINC000120155892 387191134 /nfs/dbraw/zinc/19/11/34/387191134.db2.gz BFPIRZAINHXFHP-JQWIXIFHSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H]([NH2+][C@H](C)C(C)C)C2CC2)n1 ZINC000120155987 387191626 /nfs/dbraw/zinc/19/16/26/387191626.db2.gz BFPIRZAINHXFHP-ZYHUDNBSSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@@H]([NH2+][C@H](C)C(C)C)C2CC2)n1 ZINC000120156109 387192163 /nfs/dbraw/zinc/19/21/63/387192163.db2.gz BFPIRZAINHXFHP-PWSUYJOCSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ccsc1C[NH2+]CCC1=CCCC1 ZINC000120157101 385271036 /nfs/dbraw/zinc/27/10/36/385271036.db2.gz IIYMICGIRVXKTN-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO c1csc([C@@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000120157265 387190901 /nfs/dbraw/zinc/19/09/01/387190901.db2.gz KEYVJLYOEIFQQW-LBPRGKRZSA-N 1 0 236.384 3.613 20 0 BHADRO c1csc([C@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000120157385 387191480 /nfs/dbraw/zinc/19/14/80/387191480.db2.gz KEYVJLYOEIFQQW-GFCCVEGCSA-N 1 0 236.384 3.613 20 0 BHADRO c1sc(C2CC2)nc1C[NH2+]CCC1=CCCC1 ZINC000120159075 187385290 /nfs/dbraw/zinc/38/52/90/187385290.db2.gz ZJIARUXYFIOOMR-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO Fc1ccc(F)c(C[NH2+]CCC2=CCCC2)c1 ZINC000120160122 387191686 /nfs/dbraw/zinc/19/16/86/387191686.db2.gz YXUGUNXTDDHHSW-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO Fc1ccc(C[NH2+]CCC2=CCCC2)c(F)c1 ZINC000120160294 322991845 /nfs/dbraw/zinc/99/18/45/322991845.db2.gz ZYMZDJNTKABWGC-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO Fc1cccc(F)c1C[NH2+]CCC1=CCCC1 ZINC000120165645 181000509 /nfs/dbraw/zinc/00/05/09/181000509.db2.gz SFICVVUVXJBGEL-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCCCC1 ZINC000120168897 387179335 /nfs/dbraw/zinc/17/93/35/387179335.db2.gz KVFNHBKLOYMDGR-CYBMUJFWSA-N 1 0 203.329 3.542 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCCCC1 ZINC000120169035 323981028 /nfs/dbraw/zinc/98/10/28/323981028.db2.gz KVFNHBKLOYMDGR-ZDUSSCGKSA-N 1 0 203.329 3.542 20 0 BHADRO CC(C)C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000120170942 357037608 /nfs/dbraw/zinc/03/76/08/357037608.db2.gz VHCNUHPMNGCQQC-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000120171131 357037810 /nfs/dbraw/zinc/03/78/10/357037810.db2.gz VHCNUHPMNGCQQC-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[NH+](CCC)Cc1csc(C(C)C)n1 ZINC000120179299 169150418 /nfs/dbraw/zinc/15/04/18/169150418.db2.gz AYNCDPPYIIVLQE-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO CCCc1nc(C[NH+](CCC)CCC)cs1 ZINC000120180658 169589402 /nfs/dbraw/zinc/58/94/02/169589402.db2.gz DOYQZOCUIAYALV-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)oc1C ZINC000120236831 589394184 /nfs/dbraw/zinc/39/41/84/589394184.db2.gz FDVMLDSFLBZLCI-UHFFFAOYSA-N 1 0 209.333 3.565 20 0 BHADRO C[N@@H+](Cc1cscn1)CC1CCCCCC1 ZINC000120258861 387179432 /nfs/dbraw/zinc/17/94/32/387179432.db2.gz LBCRFJHBPXJXKS-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CCCCC[N@H+](Cc1cncnc1)[C@@H](C)CCC ZINC000120283253 490059749 /nfs/dbraw/zinc/05/97/49/490059749.db2.gz VZTRLCWJVRCEIV-AWEZNQCLSA-N 1 0 249.402 3.657 20 0 BHADRO CCCCC[N@H+](Cc1cncnc1)[C@H](C)CCC ZINC000120283457 490059590 /nfs/dbraw/zinc/05/95/90/490059590.db2.gz VZTRLCWJVRCEIV-CQSZACIVSA-N 1 0 249.402 3.657 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000120365481 387184173 /nfs/dbraw/zinc/18/41/73/387184173.db2.gz UHBGTLZIXIVWSZ-UHOFOFEASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000120365583 410646280 /nfs/dbraw/zinc/64/62/80/410646280.db2.gz UHBGTLZIXIVWSZ-APHBMKBZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000120365677 387184320 /nfs/dbraw/zinc/18/43/20/387184320.db2.gz UHBGTLZIXIVWSZ-DAXOMENPSA-N 1 0 229.367 3.568 20 0 BHADRO CCCC[N@H+](CC)Cc1csc(C2CC2)n1 ZINC000120391090 387234453 /nfs/dbraw/zinc/23/44/53/387234453.db2.gz ILCIYSZYEYGAMA-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCC[NH+](CCC)Cc1csc(C2CC2)n1 ZINC000120395619 169151330 /nfs/dbraw/zinc/15/13/30/169151330.db2.gz ZDBOAMVAWOHEPB-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCCCC[N@H+](Cc1csc(C)n1)C(C)C ZINC000120446067 387247211 /nfs/dbraw/zinc/24/72/11/387247211.db2.gz JZLNIEPLONWUND-UHFFFAOYSA-N 1 0 240.416 3.852 20 0 BHADRO C[N@@H+](Cc1ccsc1)C[C@H]1CC=CCC1 ZINC000120453577 387247448 /nfs/dbraw/zinc/24/74/48/387247448.db2.gz NQEBCTAUAZJDPV-LBPRGKRZSA-N 1 0 221.369 3.536 20 0 BHADRO C[N@@H+](Cc1ccsc1)C[C@@H]1CC=CCC1 ZINC000120453735 387247092 /nfs/dbraw/zinc/24/70/92/387247092.db2.gz NQEBCTAUAZJDPV-GFCCVEGCSA-N 1 0 221.369 3.536 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccsc2)s1 ZINC000120461904 387248210 /nfs/dbraw/zinc/24/82/10/387248210.db2.gz RDJMNEMRBDFIAE-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](C)Cc1ccsc1 ZINC000120475287 178085944 /nfs/dbraw/zinc/08/59/44/178085944.db2.gz BJSLQJQYALMQHB-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(C)C)C(C)C ZINC000120496699 179398991 /nfs/dbraw/zinc/39/89/91/179398991.db2.gz UAVKVTOFMXQQHP-UONOGXRCSA-N 1 0 234.387 3.721 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(C)C)C(C)C ZINC000120496840 179397709 /nfs/dbraw/zinc/39/77/09/179397709.db2.gz UAVKVTOFMXQQHP-KBPBESRZSA-N 1 0 234.387 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(C)C)C(C)C ZINC000120496975 179399449 /nfs/dbraw/zinc/39/94/49/179399449.db2.gz UAVKVTOFMXQQHP-ZIAGYGMSSA-N 1 0 234.387 3.721 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(C)C)C(C)C ZINC000120497148 179396759 /nfs/dbraw/zinc/39/67/59/179396759.db2.gz UAVKVTOFMXQQHP-KGLIPLIRSA-N 1 0 234.387 3.721 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2cccnc21)C1CCC1 ZINC000120502782 490062919 /nfs/dbraw/zinc/06/29/19/490062919.db2.gz CAXYYMZSBPATRS-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cccnc21)C1CCC1 ZINC000120502937 490062760 /nfs/dbraw/zinc/06/27/60/490062760.db2.gz CAXYYMZSBPATRS-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CC=CCC1 ZINC000120532491 343126406 /nfs/dbraw/zinc/12/64/06/343126406.db2.gz ORBOGELVBQOWPG-ZDUSSCGKSA-N 1 0 240.350 3.614 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000120532599 343126353 /nfs/dbraw/zinc/12/63/53/343126353.db2.gz ORBOGELVBQOWPG-CYBMUJFWSA-N 1 0 240.350 3.614 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120533774 387188479 /nfs/dbraw/zinc/18/84/79/387188479.db2.gz MXFRZVIEIOHOMS-ZIAGYGMSSA-N 1 0 234.387 3.865 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120533903 323988352 /nfs/dbraw/zinc/98/83/52/323988352.db2.gz MXFRZVIEIOHOMS-UONOGXRCSA-N 1 0 234.387 3.865 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120534028 387188307 /nfs/dbraw/zinc/18/83/07/387188307.db2.gz MXFRZVIEIOHOMS-KGLIPLIRSA-N 1 0 234.387 3.865 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120534161 323987703 /nfs/dbraw/zinc/98/77/03/323987703.db2.gz MXFRZVIEIOHOMS-KBPBESRZSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000120538836 384360900 /nfs/dbraw/zinc/36/09/00/384360900.db2.gz PEDNWNOZSZAFMC-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000120538939 170902537 /nfs/dbraw/zinc/90/25/37/170902537.db2.gz PEDNWNOZSZAFMC-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]C1CCCC1)C(C)C ZINC000120559160 490064499 /nfs/dbraw/zinc/06/44/99/490064499.db2.gz LPEXGTUYXIFSQS-CQSZACIVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]C1CCCC1)C(C)C ZINC000120559347 490064411 /nfs/dbraw/zinc/06/44/11/490064411.db2.gz LPEXGTUYXIFSQS-AWEZNQCLSA-N 1 0 232.371 3.619 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000120559996 387255704 /nfs/dbraw/zinc/25/57/04/387255704.db2.gz LRQDXHLRCNEGKN-VXGBXAGGSA-N 1 0 240.416 3.661 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000120560178 357053941 /nfs/dbraw/zinc/05/39/41/357053941.db2.gz LRQDXHLRCNEGKN-NEPJUHHUSA-N 1 0 240.416 3.661 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000120560350 387253900 /nfs/dbraw/zinc/25/39/00/387253900.db2.gz LRQDXHLRCNEGKN-NWDGAFQWSA-N 1 0 240.416 3.661 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000120560527 347340310 /nfs/dbraw/zinc/34/03/10/347340310.db2.gz LRQDXHLRCNEGKN-RYUDHWBXSA-N 1 0 240.416 3.661 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000120561953 589438362 /nfs/dbraw/zinc/43/83/62/589438362.db2.gz YVISNURYDHYDAU-VXGBXAGGSA-N 1 0 240.416 3.805 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000120562106 589438641 /nfs/dbraw/zinc/43/86/41/589438641.db2.gz YVISNURYDHYDAU-NEPJUHHUSA-N 1 0 240.416 3.805 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000120562240 589438394 /nfs/dbraw/zinc/43/83/94/589438394.db2.gz YVISNURYDHYDAU-NWDGAFQWSA-N 1 0 240.416 3.805 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000120562392 589438578 /nfs/dbraw/zinc/43/85/78/589438578.db2.gz YVISNURYDHYDAU-RYUDHWBXSA-N 1 0 240.416 3.805 20 0 BHADRO CC[C@H]([NH2+][C@@H](c1ncccc1C)C(C)C)C1CC1 ZINC000120644127 323990125 /nfs/dbraw/zinc/99/01/25/323990125.db2.gz FCSJYESODABKJJ-LSDHHAIUSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@@H](c1ncccc1C)C(C)C)C1CC1 ZINC000120644244 387190376 /nfs/dbraw/zinc/19/03/76/387190376.db2.gz FCSJYESODABKJJ-HUUCEWRRSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ncccc1C)C(C)C)C1CC1 ZINC000120644354 387192065 /nfs/dbraw/zinc/19/20/65/387192065.db2.gz FCSJYESODABKJJ-GJZGRUSLSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@H](c1ncccc1C)C(C)C)C1CC1 ZINC000120644469 387190520 /nfs/dbraw/zinc/19/05/20/387190520.db2.gz FCSJYESODABKJJ-CABCVRRESA-N 1 0 246.398 3.865 20 0 BHADRO Cc1nc(C[N@@H+](C(C)C)C2CCCC2)cs1 ZINC000120649029 387260066 /nfs/dbraw/zinc/26/00/66/387260066.db2.gz DETGBHHLHWXIJF-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000120673073 589453751 /nfs/dbraw/zinc/45/37/51/589453751.db2.gz AXKMVUUKYFLLPO-YXWQFLTLSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)oc1C ZINC000120703994 589457739 /nfs/dbraw/zinc/45/77/39/589457739.db2.gz PVTQLZSKIPWTEE-UHFFFAOYSA-N 1 0 209.333 3.565 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)C(C)C ZINC000120705934 589457885 /nfs/dbraw/zinc/45/78/85/589457885.db2.gz BZYSIBOEVGEZNI-BPUTZDHNSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)C(C)C ZINC000120706213 589457999 /nfs/dbraw/zinc/45/79/99/589457999.db2.gz BZYSIBOEVGEZNI-KBMXLJTQSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nccs1 ZINC000120781741 343134455 /nfs/dbraw/zinc/13/44/55/343134455.db2.gz JCWFPFHYILUYMM-NEPJUHHUSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nccs1 ZINC000120781884 343134406 /nfs/dbraw/zinc/13/44/06/343134406.db2.gz JCWFPFHYILUYMM-RYUDHWBXSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nccs1 ZINC000120782002 344901547 /nfs/dbraw/zinc/90/15/47/344901547.db2.gz JCWFPFHYILUYMM-VXGBXAGGSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nccs1 ZINC000120782180 343133393 /nfs/dbraw/zinc/13/33/93/343133393.db2.gz JCWFPFHYILUYMM-NWDGAFQWSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000120817803 167011313 /nfs/dbraw/zinc/01/13/13/167011313.db2.gz XUIYIXBLKURRLH-JTQLQIEISA-N 1 0 226.389 3.573 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000120817971 167013393 /nfs/dbraw/zinc/01/33/93/167013393.db2.gz XUIYIXBLKURRLH-SNVBAGLBSA-N 1 0 226.389 3.573 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCC2)s1 ZINC000120819782 387276062 /nfs/dbraw/zinc/27/60/62/387276062.db2.gz MSWYEVWRMKVFKD-UHFFFAOYSA-N 1 0 223.385 3.819 20 0 BHADRO CC[N@H+](CCCF)Cc1ccccc1Cl ZINC000120820630 387275866 /nfs/dbraw/zinc/27/58/66/387275866.db2.gz SCGGBAGERYXDMN-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1csc(C)n1 ZINC000120832418 168350625 /nfs/dbraw/zinc/35/06/25/168350625.db2.gz JALGHUIKCROLIM-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]C(C)C ZINC000120834805 387276030 /nfs/dbraw/zinc/27/60/30/387276030.db2.gz OGKSPILPCQXNLF-ZDUSSCGKSA-N 1 0 221.344 3.534 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120834831 188328420 /nfs/dbraw/zinc/32/84/20/188328420.db2.gz KLRNZDDUTOMTEY-AWEZNQCLSA-N 1 0 232.371 3.643 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+]C(C)C ZINC000120834972 387275928 /nfs/dbraw/zinc/27/59/28/387275928.db2.gz OGKSPILPCQXNLF-CYBMUJFWSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCCOC ZINC000120840143 387198512 /nfs/dbraw/zinc/19/85/12/387198512.db2.gz AUVSMFSUWFHCIA-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCCCOC ZINC000120840304 387200029 /nfs/dbraw/zinc/20/00/29/387200029.db2.gz AUVSMFSUWFHCIA-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCCCOC ZINC000120840512 387198348 /nfs/dbraw/zinc/19/83/48/387198348.db2.gz AUVSMFSUWFHCIA-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCCCOC ZINC000120840650 387199599 /nfs/dbraw/zinc/19/95/99/387199599.db2.gz AUVSMFSUWFHCIA-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCCOCc1ccccc1C[NH2+]C1CCCC1 ZINC000120841382 632034957 /nfs/dbraw/zinc/03/49/57/632034957.db2.gz ZWVSKQSZRMOOQM-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000120890101 171537297 /nfs/dbraw/zinc/53/72/97/171537297.db2.gz CHBBTYWPVPJTNH-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000120890401 387277455 /nfs/dbraw/zinc/27/74/55/387277455.db2.gz CHBBTYWPVPJTNH-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1cc(C)oc1C ZINC000120891172 589475511 /nfs/dbraw/zinc/47/55/11/589475511.db2.gz GRXYFOJWUQUWCC-UHFFFAOYSA-N 1 0 243.350 3.749 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1cncs1 ZINC000120909688 398202141 /nfs/dbraw/zinc/20/21/41/398202141.db2.gz RUGAIBDSADPJGD-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1cncs1 ZINC000120909820 324000075 /nfs/dbraw/zinc/00/00/75/324000075.db2.gz RUGAIBDSADPJGD-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000120911103 175189886 /nfs/dbraw/zinc/18/98/86/175189886.db2.gz BBMGFNVLDKQHMZ-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000120911235 175177309 /nfs/dbraw/zinc/17/73/09/175177309.db2.gz BBMGFNVLDKQHMZ-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000120911385 175189693 /nfs/dbraw/zinc/18/96/93/175189693.db2.gz BBMGFNVLDKQHMZ-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000120911510 175177609 /nfs/dbraw/zinc/17/76/09/175177609.db2.gz BBMGFNVLDKQHMZ-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000120918743 169371392 /nfs/dbraw/zinc/37/13/92/169371392.db2.gz LNRMSFDDJMXJRX-BXKDBHETSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000120918952 490102882 /nfs/dbraw/zinc/10/28/82/490102882.db2.gz LNRMSFDDJMXJRX-JOYOIKCWSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000120919142 169371464 /nfs/dbraw/zinc/37/14/64/169371464.db2.gz LNRMSFDDJMXJRX-SKDRFNHKSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000120919293 490102635 /nfs/dbraw/zinc/10/26/35/490102635.db2.gz LNRMSFDDJMXJRX-CABZTGNLSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)oc1C)c1ccncc1 ZINC000120937061 589478748 /nfs/dbraw/zinc/47/87/48/589478748.db2.gz FEKJJTJREMKGFV-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)oc1C)c1ccncc1 ZINC000120937238 589478726 /nfs/dbraw/zinc/47/87/26/589478726.db2.gz FEKJJTJREMKGFV-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000120950796 589479127 /nfs/dbraw/zinc/47/91/27/589479127.db2.gz PUPOWJTUIVLULL-KGLIPLIRSA-N 1 0 249.398 3.798 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000120950953 589479238 /nfs/dbraw/zinc/47/92/38/589479238.db2.gz PUPOWJTUIVLULL-KBPBESRZSA-N 1 0 249.398 3.798 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000120951111 589479269 /nfs/dbraw/zinc/47/92/69/589479269.db2.gz PUPOWJTUIVLULL-ZIAGYGMSSA-N 1 0 249.398 3.798 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000120951289 589479116 /nfs/dbraw/zinc/47/91/16/589479116.db2.gz PUPOWJTUIVLULL-UONOGXRCSA-N 1 0 249.398 3.798 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCc1cccs1)C1CC1 ZINC000120951540 589479235 /nfs/dbraw/zinc/47/92/35/589479235.db2.gz OKUCEOZVSOZNMP-NSHDSACASA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCc1cccs1)C1CC1 ZINC000120951693 589479167 /nfs/dbraw/zinc/47/91/67/589479167.db2.gz OKUCEOZVSOZNMP-LLVKDONJSA-N 1 0 235.396 3.554 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000120954128 411267510 /nfs/dbraw/zinc/26/75/10/411267510.db2.gz SZDZUCJBOIRJGI-KGLIPLIRSA-N 1 0 249.398 3.654 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000120954256 323998178 /nfs/dbraw/zinc/99/81/78/323998178.db2.gz SZDZUCJBOIRJGI-KBPBESRZSA-N 1 0 249.398 3.654 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000120954422 323998912 /nfs/dbraw/zinc/99/89/12/323998912.db2.gz SZDZUCJBOIRJGI-ZIAGYGMSSA-N 1 0 249.398 3.654 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000120954560 323997940 /nfs/dbraw/zinc/99/79/40/323997940.db2.gz SZDZUCJBOIRJGI-UONOGXRCSA-N 1 0 249.398 3.654 20 0 BHADRO CC(C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000120960893 167131861 /nfs/dbraw/zinc/13/18/61/167131861.db2.gz COECWJIAIUEQNI-NSHDSACASA-N 1 0 249.251 3.817 20 0 BHADRO CC(C)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000120961065 167138110 /nfs/dbraw/zinc/13/81/10/167138110.db2.gz COECWJIAIUEQNI-LLVKDONJSA-N 1 0 249.251 3.817 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000120993450 387286510 /nfs/dbraw/zinc/28/65/10/387286510.db2.gz SXIJDTLLWBZDNF-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000120993617 387287624 /nfs/dbraw/zinc/28/76/24/387287624.db2.gz SXIJDTLLWBZDNF-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO CC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120998479 384390783 /nfs/dbraw/zinc/39/07/83/384390783.db2.gz HQHRGQHOECAVQB-JTQLQIEISA-N 1 0 226.389 3.588 20 0 BHADRO CC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120998621 384392543 /nfs/dbraw/zinc/39/25/43/384392543.db2.gz HQHRGQHOECAVQB-SNVBAGLBSA-N 1 0 226.389 3.588 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121063430 169086891 /nfs/dbraw/zinc/08/68/91/169086891.db2.gz TWIOBUKVPSVXEY-NSHDSACASA-N 1 0 240.416 3.978 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121063597 169085529 /nfs/dbraw/zinc/08/55/29/169085529.db2.gz TWIOBUKVPSVXEY-LLVKDONJSA-N 1 0 240.416 3.978 20 0 BHADRO c1csc(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000121081967 589497737 /nfs/dbraw/zinc/49/77/37/589497737.db2.gz PCNAJVDMSCSDAN-JSGCOSHPSA-N 1 0 235.396 3.555 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC000121121452 589501982 /nfs/dbraw/zinc/50/19/82/589501982.db2.gz NEOYKZBUUPCHRG-SNVBAGLBSA-N 1 0 241.400 3.518 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC000121121619 589502309 /nfs/dbraw/zinc/50/23/09/589502309.db2.gz NEOYKZBUUPCHRG-JTQLQIEISA-N 1 0 241.400 3.518 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000121121818 343262086 /nfs/dbraw/zinc/26/20/86/343262086.db2.gz UHRXWWIVVQYXAR-TZMCWYRMSA-N 1 0 234.387 3.723 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000121121991 343262053 /nfs/dbraw/zinc/26/20/53/343262053.db2.gz UHRXWWIVVQYXAR-GXTWGEPZSA-N 1 0 234.387 3.723 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000121122175 343263373 /nfs/dbraw/zinc/26/33/73/343263373.db2.gz UHRXWWIVVQYXAR-OCCSQVGLSA-N 1 0 234.387 3.723 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000121122334 343263424 /nfs/dbraw/zinc/26/34/24/343263424.db2.gz UHRXWWIVVQYXAR-JSGCOSHPSA-N 1 0 234.387 3.723 20 0 BHADRO CCC(CC)c1cc(C[NH2+][C@@H](C)C(C)C)on1 ZINC000121141561 324002552 /nfs/dbraw/zinc/00/25/52/324002552.db2.gz DOKOMINXJGJNRX-NSHDSACASA-N 1 0 238.375 3.712 20 0 BHADRO CCC(CC)c1cc(C[NH2+][C@H](C)C(C)C)on1 ZINC000121141741 324001908 /nfs/dbraw/zinc/00/19/08/324001908.db2.gz DOKOMINXJGJNRX-LLVKDONJSA-N 1 0 238.375 3.712 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000121228341 387315956 /nfs/dbraw/zinc/31/59/56/387315956.db2.gz VNAYMXFOJIGDRR-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000121229501 387316621 /nfs/dbraw/zinc/31/66/21/387316621.db2.gz QYPVHLZEJGWKFT-SNVBAGLBSA-N 1 0 217.312 3.629 20 0 BHADRO CC[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000121229653 171342074 /nfs/dbraw/zinc/34/20/74/171342074.db2.gz QYPVHLZEJGWKFT-JTQLQIEISA-N 1 0 217.312 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1CCCC1 ZINC000121229992 387316142 /nfs/dbraw/zinc/31/61/42/387316142.db2.gz HFUQXLFONBJYJV-UHFFFAOYSA-N 1 0 229.323 3.773 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CC2CCC2)cs1 ZINC000121230990 385829285 /nfs/dbraw/zinc/82/92/85/385829285.db2.gz LVRUCEKGEAXHHU-SNVBAGLBSA-N 1 0 238.400 3.717 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CC2CCC2)cs1 ZINC000121231120 385829396 /nfs/dbraw/zinc/82/93/96/385829396.db2.gz LVRUCEKGEAXHHU-JTQLQIEISA-N 1 0 238.400 3.717 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1c(C)noc1C ZINC000121233243 171528319 /nfs/dbraw/zinc/52/83/19/171528319.db2.gz BMVCQHTYQQTASP-KBPBESRZSA-N 1 0 248.370 3.688 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1c(C)noc1C ZINC000121233400 387317370 /nfs/dbraw/zinc/31/73/70/387317370.db2.gz BMVCQHTYQQTASP-UONOGXRCSA-N 1 0 248.370 3.688 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1c(C)noc1C ZINC000121233540 387317723 /nfs/dbraw/zinc/31/77/23/387317723.db2.gz BMVCQHTYQQTASP-KGLIPLIRSA-N 1 0 248.370 3.688 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1c(C)noc1C ZINC000121233695 387316173 /nfs/dbraw/zinc/31/61/73/387316173.db2.gz BMVCQHTYQQTASP-ZIAGYGMSSA-N 1 0 248.370 3.688 20 0 BHADRO C[N@H+](CCCF)Cc1csc2ccccc12 ZINC000121235525 384404330 /nfs/dbraw/zinc/40/43/30/384404330.db2.gz ZKNRDZHESZVVRD-UHFFFAOYSA-N 1 0 237.343 3.693 20 0 BHADRO CSCCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000121285536 387323506 /nfs/dbraw/zinc/32/35/06/387323506.db2.gz DWNKUHBJGJIDNF-UHFFFAOYSA-N 1 0 249.379 3.584 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000121307472 343266111 /nfs/dbraw/zinc/26/61/11/343266111.db2.gz GDFPKBQSLRTBGX-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000121307643 343266000 /nfs/dbraw/zinc/26/60/00/343266000.db2.gz GDFPKBQSLRTBGX-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000121307802 343266105 /nfs/dbraw/zinc/26/61/05/343266105.db2.gz GDFPKBQSLRTBGX-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000121307906 343266085 /nfs/dbraw/zinc/26/60/85/343266085.db2.gz GDFPKBQSLRTBGX-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCCF)Cc1ccccc1 ZINC000121329841 324010950 /nfs/dbraw/zinc/01/09/50/324010950.db2.gz PUXNXOKSHJTQBD-ZDUSSCGKSA-N 1 0 235.346 3.647 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCCF)Cc1ccccc1 ZINC000121329996 324011565 /nfs/dbraw/zinc/01/15/65/324011565.db2.gz PUXNXOKSHJTQBD-CYBMUJFWSA-N 1 0 235.346 3.647 20 0 BHADRO CC(C)[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000121338749 187295776 /nfs/dbraw/zinc/29/57/76/187295776.db2.gz MKMIAHFDZORRDQ-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000121344882 585068059 /nfs/dbraw/zinc/06/80/59/585068059.db2.gz WDDKDTTXVTUBTL-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000121345046 585068028 /nfs/dbraw/zinc/06/80/28/585068028.db2.gz WDDKDTTXVTUBTL-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)[N@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000121348771 324012588 /nfs/dbraw/zinc/01/25/88/324012588.db2.gz QWOLALBUCMPSPB-ONEGZZNKSA-N 1 0 233.330 3.712 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000121389591 176027562 /nfs/dbraw/zinc/02/75/62/176027562.db2.gz AYJKVZBUPZRADD-YCPHGPKFSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000121389923 176028324 /nfs/dbraw/zinc/02/83/24/176028324.db2.gz AYJKVZBUPZRADD-IJEWVQPXSA-N 1 0 244.382 3.655 20 0 BHADRO CCCCC[C@H]([NH2+]C1CCOCC1)C(C)(C)C ZINC000121394351 587563650 /nfs/dbraw/zinc/56/36/50/587563650.db2.gz XIWSTZMAWVFCSU-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+]C1CCOCC1)C(C)(C)C ZINC000121394509 587563803 /nfs/dbraw/zinc/56/38/03/587563803.db2.gz XIWSTZMAWVFCSU-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC[N@H+](CCCF)Cc1cccc(Cl)c1 ZINC000121395808 487857470 /nfs/dbraw/zinc/85/74/70/487857470.db2.gz JDRHFPVFMGWFHW-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO COc1cccc(C(C)(C)C[NH2+]C2CCCC2)c1 ZINC000121456419 587835913 /nfs/dbraw/zinc/83/59/13/587835913.db2.gz HVTSQAOJEDOXKX-UHFFFAOYSA-N 1 0 247.382 3.505 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000121482425 167132481 /nfs/dbraw/zinc/13/24/81/167132481.db2.gz FJCQTCDYBZRHLQ-ZDUSSCGKSA-N 1 0 240.350 3.808 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000121482571 167138480 /nfs/dbraw/zinc/13/84/80/167138480.db2.gz FJCQTCDYBZRHLQ-CYBMUJFWSA-N 1 0 240.350 3.808 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000121491427 324015352 /nfs/dbraw/zinc/01/53/52/324015352.db2.gz FCVJMMGYUMVKDY-ZDUSSCGKSA-N 1 0 241.737 3.837 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121491541 324015364 /nfs/dbraw/zinc/01/53/64/324015364.db2.gz FCVJMMGYUMVKDY-CYBMUJFWSA-N 1 0 241.737 3.837 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000121496782 587949261 /nfs/dbraw/zinc/94/92/61/587949261.db2.gz AYQRNGICHJQIPB-NSHDSACASA-N 1 0 249.379 3.664 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000121496912 587949351 /nfs/dbraw/zinc/94/93/51/587949351.db2.gz AYQRNGICHJQIPB-LLVKDONJSA-N 1 0 249.379 3.664 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCF ZINC000121514743 176016462 /nfs/dbraw/zinc/01/64/62/176016462.db2.gz CNTQTBSFBFKJKP-JTQLQIEISA-N 1 0 229.726 3.692 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCF ZINC000121514874 177036425 /nfs/dbraw/zinc/03/64/25/177036425.db2.gz CNTQTBSFBFKJKP-SNVBAGLBSA-N 1 0 229.726 3.692 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCCF ZINC000121515711 176023963 /nfs/dbraw/zinc/02/39/63/176023963.db2.gz WSUVTTHGYGRDMX-JTQLQIEISA-N 1 0 229.726 3.692 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+](C)CCCF ZINC000121515870 177041463 /nfs/dbraw/zinc/04/14/63/177041463.db2.gz WSUVTTHGYGRDMX-SNVBAGLBSA-N 1 0 229.726 3.692 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000121530702 324012373 /nfs/dbraw/zinc/01/23/73/324012373.db2.gz JKZWBBHPTXZMSU-ZDUSSCGKSA-N 1 0 241.737 3.837 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000121530837 324012692 /nfs/dbraw/zinc/01/26/92/324012692.db2.gz JKZWBBHPTXZMSU-CYBMUJFWSA-N 1 0 241.737 3.837 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccc(C)nc1 ZINC000121571205 490101764 /nfs/dbraw/zinc/10/17/64/490101764.db2.gz KJOVQXIDHCQOFB-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1coc2ccccc12 ZINC000121619967 589520895 /nfs/dbraw/zinc/52/08/95/589520895.db2.gz RSPIQHKPCKWCGQ-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000121656821 324019522 /nfs/dbraw/zinc/01/95/22/324019522.db2.gz NLCHKOFPXATOLZ-ZDUSSCGKSA-N 1 0 227.298 3.660 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000121657026 324019488 /nfs/dbraw/zinc/01/94/88/324019488.db2.gz NLCHKOFPXATOLZ-CYBMUJFWSA-N 1 0 227.298 3.660 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000121671781 324019641 /nfs/dbraw/zinc/01/96/41/324019641.db2.gz VDMRBEOTUILPPD-KGLIPLIRSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000121671960 324019815 /nfs/dbraw/zinc/01/98/15/324019815.db2.gz VDMRBEOTUILPPD-KBPBESRZSA-N 1 0 247.382 3.531 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000121698567 167131417 /nfs/dbraw/zinc/13/14/17/167131417.db2.gz PUQIJIXQSONUOZ-QMMMGPOBSA-N 1 0 215.699 3.538 20 0 BHADRO CC(C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000121698721 167138410 /nfs/dbraw/zinc/13/84/10/167138410.db2.gz PUQIJIXQSONUOZ-MRVPVSSYSA-N 1 0 215.699 3.538 20 0 BHADRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC1CC1 ZINC000121778470 177054718 /nfs/dbraw/zinc/05/47/18/177054718.db2.gz HVBZKDLFJFWYAQ-SNVBAGLBSA-N 1 0 246.379 3.699 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccoc1 ZINC000121781913 344937426 /nfs/dbraw/zinc/93/74/26/344937426.db2.gz DVDKTENAAHWRJI-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccoc1 ZINC000121782057 343277537 /nfs/dbraw/zinc/27/75/37/343277537.db2.gz DVDKTENAAHWRJI-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CCOCC1)C(C)(C)C ZINC000121825349 490110211 /nfs/dbraw/zinc/11/02/11/490110211.db2.gz ICJIVLFZUSZGMM-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CCOCC1)C(C)(C)C ZINC000121825483 490110238 /nfs/dbraw/zinc/11/02/38/490110238.db2.gz ICJIVLFZUSZGMM-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)cn1 ZINC000121862364 387424802 /nfs/dbraw/zinc/42/48/02/387424802.db2.gz GONNTYLKXNPTAQ-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)cn1 ZINC000121862543 387425024 /nfs/dbraw/zinc/42/50/24/387425024.db2.gz GONNTYLKXNPTAQ-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1cccc(F)c1F ZINC000121869584 324021974 /nfs/dbraw/zinc/02/19/74/324021974.db2.gz WZFHZEWDTWCPCU-NSHDSACASA-N 1 0 247.288 3.816 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1cccc(F)c1F ZINC000121869740 324022214 /nfs/dbraw/zinc/02/22/14/324022214.db2.gz WZFHZEWDTWCPCU-LLVKDONJSA-N 1 0 247.288 3.816 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000121885221 324024103 /nfs/dbraw/zinc/02/41/03/324024103.db2.gz RLSWWNFJSXXCKZ-AWEZNQCLSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000121885369 324024279 /nfs/dbraw/zinc/02/42/79/324024279.db2.gz RLSWWNFJSXXCKZ-CQSZACIVSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000121896548 324024786 /nfs/dbraw/zinc/02/47/86/324024786.db2.gz ZRDYUJKIWCYOND-AWEZNQCLSA-N 1 0 249.398 3.505 20 0 BHADRO CCC(O)(CC)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000121896713 324024898 /nfs/dbraw/zinc/02/48/98/324024898.db2.gz ZRDYUJKIWCYOND-CQSZACIVSA-N 1 0 249.398 3.505 20 0 BHADRO CC[N@H+](CCCF)[C@@H](C)c1ccc(F)cc1 ZINC000121930168 387440479 /nfs/dbraw/zinc/44/04/79/387440479.db2.gz VCZCQCNZVJXJNQ-NSHDSACASA-N 1 0 227.298 3.568 20 0 BHADRO CC[N@H+](CCCF)[C@H](C)c1ccc(F)cc1 ZINC000121930332 387439421 /nfs/dbraw/zinc/43/94/21/387439421.db2.gz VCZCQCNZVJXJNQ-LLVKDONJSA-N 1 0 227.298 3.568 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000121953655 360167486 /nfs/dbraw/zinc/16/74/86/360167486.db2.gz AKAGWHKMZCYREL-KBPBESRZSA-N 1 0 241.419 3.915 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000121953775 322994159 /nfs/dbraw/zinc/99/41/59/322994159.db2.gz AKAGWHKMZCYREL-KGLIPLIRSA-N 1 0 241.419 3.915 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000121953949 360167676 /nfs/dbraw/zinc/16/76/76/360167676.db2.gz AKAGWHKMZCYREL-UONOGXRCSA-N 1 0 241.419 3.915 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000121954096 360166804 /nfs/dbraw/zinc/16/68/04/360166804.db2.gz AKAGWHKMZCYREL-ZIAGYGMSSA-N 1 0 241.419 3.915 20 0 BHADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(C)C)s1 ZINC000121958132 357158602 /nfs/dbraw/zinc/15/86/02/357158602.db2.gz PEWAKZQAPSVDEL-LLVKDONJSA-N 1 0 240.416 3.663 20 0 BHADRO CCc1nc(C)c([C@H](C)[N@H+](C)CC(C)C)s1 ZINC000121958296 357158416 /nfs/dbraw/zinc/15/84/16/357158416.db2.gz PEWAKZQAPSVDEL-NSHDSACASA-N 1 0 240.416 3.663 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000121968796 360169826 /nfs/dbraw/zinc/16/98/26/360169826.db2.gz HHWJIZNFXVKVAI-WDEREUQCSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000121968978 360169791 /nfs/dbraw/zinc/16/97/91/360169791.db2.gz HHWJIZNFXVKVAI-QWRGUYRKSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000121969219 360169824 /nfs/dbraw/zinc/16/98/24/360169824.db2.gz HHWJIZNFXVKVAI-GHMZBOCLSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000121969431 360169534 /nfs/dbraw/zinc/16/95/34/360169534.db2.gz HHWJIZNFXVKVAI-MNOVXSKESA-N 1 0 223.385 3.589 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000121970447 324025359 /nfs/dbraw/zinc/02/53/59/324025359.db2.gz QIWCHZUWCSHLTD-SWLSCSKDSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)c(C)c1 ZINC000121970665 324025238 /nfs/dbraw/zinc/02/52/38/324025238.db2.gz QIWCHZUWCSHLTD-WFASDCNBSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000121970873 324025338 /nfs/dbraw/zinc/02/53/38/324025338.db2.gz QIWCHZUWCSHLTD-IUODEOHRSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c(C)c1 ZINC000121971082 324025332 /nfs/dbraw/zinc/02/53/32/324025332.db2.gz QIWCHZUWCSHLTD-DOMZBBRYSA-N 1 0 217.356 3.582 20 0 BHADRO CCC[C@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000121975613 490116182 /nfs/dbraw/zinc/11/61/82/490116182.db2.gz IRWNXADKCLBDCZ-HNNXBMFYSA-N 1 0 215.340 3.836 20 0 BHADRO CCC[C@@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000121975807 490116137 /nfs/dbraw/zinc/11/61/37/490116137.db2.gz IRWNXADKCLBDCZ-OAHLLOKOSA-N 1 0 215.340 3.836 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000121976268 324025327 /nfs/dbraw/zinc/02/53/27/324025327.db2.gz VTYUFOJHGZPFBZ-ZOBORPQBSA-N 1 0 209.377 3.591 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCS1 ZINC000121976460 324025335 /nfs/dbraw/zinc/02/53/35/324025335.db2.gz VDZFJFQWQLZVTO-ZFWWWQNUSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCS1 ZINC000121976694 324025265 /nfs/dbraw/zinc/02/52/65/324025265.db2.gz VDZFJFQWQLZVTO-DZGCQCFKSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCS1 ZINC000121976841 324025298 /nfs/dbraw/zinc/02/52/98/324025298.db2.gz VDZFJFQWQLZVTO-HIFRSBDPSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCS1 ZINC000121977018 324025306 /nfs/dbraw/zinc/02/53/06/324025306.db2.gz VDZFJFQWQLZVTO-UKRRQHHQSA-N 1 0 247.407 3.549 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000121977114 387445732 /nfs/dbraw/zinc/44/57/32/387445732.db2.gz KEQDJOORWXESMC-YPMHNXCESA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000121977283 187901906 /nfs/dbraw/zinc/90/19/06/187901906.db2.gz KEQDJOORWXESMC-AAEUAGOBSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000121977498 175576116 /nfs/dbraw/zinc/57/61/16/175576116.db2.gz KEQDJOORWXESMC-DGCLKSJQSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000121977762 175576187 /nfs/dbraw/zinc/57/61/87/175576187.db2.gz KEQDJOORWXESMC-WCQYABFASA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCC2)cn1 ZINC000121979142 387446406 /nfs/dbraw/zinc/44/64/06/387446406.db2.gz CFEFTCPWZNCTSP-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC=CC2)c1 ZINC000121979427 490115784 /nfs/dbraw/zinc/11/57/84/490115784.db2.gz UQEIYZOEDPQUSY-CYBMUJFWSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CC=CC2)c1 ZINC000121979579 490115838 /nfs/dbraw/zinc/11/58/38/490115838.db2.gz UQEIYZOEDPQUSY-ZDUSSCGKSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000121982974 490115738 /nfs/dbraw/zinc/11/57/38/490115738.db2.gz TWGAPKBSFAZAQX-CQSZACIVSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000121983223 490115977 /nfs/dbraw/zinc/11/59/77/490115977.db2.gz TWGAPKBSFAZAQX-AWEZNQCLSA-N 1 0 229.367 3.624 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000121986344 360174182 /nfs/dbraw/zinc/17/41/82/360174182.db2.gz YYBPQYXOIPJIHA-ZJUUUORDSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000121986550 360174048 /nfs/dbraw/zinc/17/40/48/360174048.db2.gz YYBPQYXOIPJIHA-UWVGGRQHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000121986773 360174020 /nfs/dbraw/zinc/17/40/20/360174020.db2.gz YYBPQYXOIPJIHA-NXEZZACHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000121986954 360173940 /nfs/dbraw/zinc/17/39/40/360173940.db2.gz YYBPQYXOIPJIHA-VHSXEESVSA-N 1 0 241.737 3.757 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000121988024 589546464 /nfs/dbraw/zinc/54/64/64/589546464.db2.gz LDVGBUWGMJUFEG-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000121988230 589546156 /nfs/dbraw/zinc/54/61/56/589546156.db2.gz LDVGBUWGMJUFEG-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000121988438 589546355 /nfs/dbraw/zinc/54/63/55/589546355.db2.gz LDVGBUWGMJUFEG-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000121988684 589546270 /nfs/dbraw/zinc/54/62/70/589546270.db2.gz LDVGBUWGMJUFEG-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000121990274 360174058 /nfs/dbraw/zinc/17/40/58/360174058.db2.gz GLZFFBFFUVHNMO-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000121990489 360174030 /nfs/dbraw/zinc/17/40/30/360174030.db2.gz GLZFFBFFUVHNMO-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000121990722 360174003 /nfs/dbraw/zinc/17/40/03/360174003.db2.gz GLZFFBFFUVHNMO-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000121990912 360173931 /nfs/dbraw/zinc/17/39/31/360173931.db2.gz GLZFFBFFUVHNMO-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000121991089 384446756 /nfs/dbraw/zinc/44/67/56/384446756.db2.gz TZBLYWSMYKHHPK-QWRGUYRKSA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000121991276 384450275 /nfs/dbraw/zinc/45/02/75/384450275.db2.gz TZBLYWSMYKHHPK-MNOVXSKESA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000121991437 174551298 /nfs/dbraw/zinc/55/12/98/174551298.db2.gz TZBLYWSMYKHHPK-WDEREUQCSA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000121991601 174460737 /nfs/dbraw/zinc/46/07/37/174460737.db2.gz TZBLYWSMYKHHPK-GHMZBOCLSA-N 1 0 249.379 3.587 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000121994936 490118130 /nfs/dbraw/zinc/11/81/30/490118130.db2.gz QZQAIXHTGKEYPL-GFCCVEGCSA-N 1 0 215.340 3.618 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000121995168 490117943 /nfs/dbraw/zinc/11/79/43/490117943.db2.gz QZQAIXHTGKEYPL-LBPRGKRZSA-N 1 0 215.340 3.618 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC=CC2)c(C)s1 ZINC000121995684 490117653 /nfs/dbraw/zinc/11/76/53/490117653.db2.gz YNNDKDIPUXCSNR-SNVBAGLBSA-N 1 0 221.369 3.734 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC=CC2)c(C)s1 ZINC000121995917 490118098 /nfs/dbraw/zinc/11/80/98/490118098.db2.gz YNNDKDIPUXCSNR-JTQLQIEISA-N 1 0 221.369 3.734 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1ccc(C)cc1 ZINC000121996167 490118086 /nfs/dbraw/zinc/11/80/86/490118086.db2.gz UKGKKRZAIQNRCZ-HNNXBMFYSA-N 1 0 215.340 3.754 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1ccc(C)cc1 ZINC000121996450 490117692 /nfs/dbraw/zinc/11/76/92/490117692.db2.gz UKGKKRZAIQNRCZ-OAHLLOKOSA-N 1 0 215.340 3.754 20 0 BHADRO CCC[C@H]([NH2+]C1CC=CC1)c1ccc(OC)cc1 ZINC000121998032 490117953 /nfs/dbraw/zinc/11/79/53/490117953.db2.gz HEXUHKMAONFYIK-INIZCTEOSA-N 1 0 245.366 3.845 20 0 BHADRO CCC[C@@H]([NH2+]C1CC=CC1)c1ccc(OC)cc1 ZINC000121998209 490117676 /nfs/dbraw/zinc/11/76/76/490117676.db2.gz HEXUHKMAONFYIK-MRXNPFEDSA-N 1 0 245.366 3.845 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C2CCSCC2)c1 ZINC000122001190 490117708 /nfs/dbraw/zinc/11/77/08/490117708.db2.gz WAASVQKHKQXLEQ-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CC=CC2)c1C ZINC000122004940 490118029 /nfs/dbraw/zinc/11/80/29/490118029.db2.gz AFJJOKBPAHMZNS-CYBMUJFWSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CC=CC2)c1C ZINC000122005153 490117807 /nfs/dbraw/zinc/11/78/07/490117807.db2.gz AFJJOKBPAHMZNS-ZDUSSCGKSA-N 1 0 215.340 3.673 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000122011757 360175050 /nfs/dbraw/zinc/17/50/50/360175050.db2.gz FQBOCFSCSDXCGU-HNNXBMFYSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCS2)cc1 ZINC000122011989 360174818 /nfs/dbraw/zinc/17/48/18/360174818.db2.gz FQBOCFSCSDXCGU-OAHLLOKOSA-N 1 0 249.423 3.795 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc(Cl)s1 ZINC000122013859 490117901 /nfs/dbraw/zinc/11/79/01/490117901.db2.gz BJSNUYLNJNJHBK-QMMMGPOBSA-N 1 0 227.760 3.771 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(Cl)s1 ZINC000122014045 490117887 /nfs/dbraw/zinc/11/78/87/490117887.db2.gz BJSNUYLNJNJHBK-MRVPVSSYSA-N 1 0 227.760 3.771 20 0 BHADRO CSCCCC[NH2+]Cc1ccccc1C1CC1 ZINC000122015054 359670486 /nfs/dbraw/zinc/67/04/86/359670486.db2.gz DDFCUYQWNBEIJB-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]CCCC2CC2)c1 ZINC000122015247 490117297 /nfs/dbraw/zinc/11/72/97/490117297.db2.gz UWJWYRJLNMNVRQ-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000122015491 589549861 /nfs/dbraw/zinc/54/98/61/589549861.db2.gz WOGJHSWZFJGYOV-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000122015697 589550065 /nfs/dbraw/zinc/55/00/65/589550065.db2.gz WOGJHSWZFJGYOV-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000122017469 490117633 /nfs/dbraw/zinc/11/76/33/490117633.db2.gz BNTPPXPWRBTBGV-CYBMUJFWSA-N 1 0 231.364 3.532 20 0 BHADRO C1=CCC([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000122017670 490117449 /nfs/dbraw/zinc/11/74/49/490117449.db2.gz BNTPPXPWRBTBGV-ZDUSSCGKSA-N 1 0 231.364 3.532 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)c(C)s1 ZINC000122017713 589549777 /nfs/dbraw/zinc/54/97/77/589549777.db2.gz YKCDFIKVOLYHEU-TVQRCGJNSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H](C)C2)c(C)s1 ZINC000122017935 589549788 /nfs/dbraw/zinc/54/97/88/589549788.db2.gz YKCDFIKVOLYHEU-ZANVPECISA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c(C)s1 ZINC000122018169 589550084 /nfs/dbraw/zinc/55/00/84/589550084.db2.gz YKCDFIKVOLYHEU-NOZJJQNGSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)c(C)s1 ZINC000122018363 589549836 /nfs/dbraw/zinc/54/98/36/589549836.db2.gz YKCDFIKVOLYHEU-RNCFNFMXSA-N 1 0 223.385 3.643 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000122019002 324026408 /nfs/dbraw/zinc/02/64/08/324026408.db2.gz CKWJYBSQUOSDHW-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO CCCC[C@H]([NH2+]CC(C)(C)CO)c1ccccc1 ZINC000122019328 490118062 /nfs/dbraw/zinc/11/80/62/490118062.db2.gz YAYSDCPEVVIMBB-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@@H]([NH2+]CC(C)(C)CO)c1ccccc1 ZINC000122019507 490119243 /nfs/dbraw/zinc/11/92/43/490119243.db2.gz YAYSDCPEVVIMBB-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc2c(c1)CCC2 ZINC000122020495 490119313 /nfs/dbraw/zinc/11/93/13/490119313.db2.gz SIJSAXLKNPOYEI-LBPRGKRZSA-N 1 0 227.351 3.545 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc2c(c1)CCC2 ZINC000122020671 490118839 /nfs/dbraw/zinc/11/88/39/490118839.db2.gz SIJSAXLKNPOYEI-GFCCVEGCSA-N 1 0 227.351 3.545 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc(F)cc1Cl ZINC000122022182 490118871 /nfs/dbraw/zinc/11/88/71/490118871.db2.gz ZYKZIKWBXONPKZ-VIFPVBQESA-N 1 0 239.721 3.848 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000122022283 589549998 /nfs/dbraw/zinc/54/99/98/589549998.db2.gz RXZWQCSLKATURH-KOLCDFICSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(F)cc1Cl ZINC000122022412 490119466 /nfs/dbraw/zinc/11/94/66/490119466.db2.gz ZYKZIKWBXONPKZ-SECBINFHSA-N 1 0 239.721 3.848 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000122022512 589550110 /nfs/dbraw/zinc/55/01/10/589550110.db2.gz RXZWQCSLKATURH-ONGXEEELSA-N 1 0 241.737 3.757 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccccc1C1CC1 ZINC000122022713 589549886 /nfs/dbraw/zinc/54/98/86/589549886.db2.gz DVHHUECYFNDJPW-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000122022725 589549877 /nfs/dbraw/zinc/54/98/77/589549877.db2.gz RXZWQCSLKATURH-MWLCHTKSSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000122022932 589550095 /nfs/dbraw/zinc/55/00/95/589550095.db2.gz RXZWQCSLKATURH-GXSJLCMTSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1cc(F)ccc1F ZINC000122023195 490119218 /nfs/dbraw/zinc/11/92/18/490119218.db2.gz UWJWQOKVNYLUBE-AWEZNQCLSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1cc(F)ccc1F ZINC000122023384 490119072 /nfs/dbraw/zinc/11/90/72/490119072.db2.gz UWJWQOKVNYLUBE-CQSZACIVSA-N 1 0 237.293 3.724 20 0 BHADRO CCC1([NH2+]Cc2ccccc2C2CC2)CCC1 ZINC000122023441 490119103 /nfs/dbraw/zinc/11/91/03/490119103.db2.gz KOWOQIYIDIDVJN-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000122023661 490119247 /nfs/dbraw/zinc/11/92/47/490119247.db2.gz NIKDCBZGWBTKIB-CQSZACIVSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000122023862 490119488 /nfs/dbraw/zinc/11/94/88/490119488.db2.gz NIKDCBZGWBTKIB-AWEZNQCLSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000122026293 490119112 /nfs/dbraw/zinc/11/91/12/490119112.db2.gz XUEIVKSCZITYLO-AWEZNQCLSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C[C@H]2CCCS2)c1 ZINC000122026532 490119350 /nfs/dbraw/zinc/11/93/50/490119350.db2.gz XUEIVKSCZITYLO-CQSZACIVSA-N 1 0 247.407 3.549 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000122027836 169283654 /nfs/dbraw/zinc/28/36/54/169283654.db2.gz NVWIFQSWPISTPR-WCBMZHEXSA-N 1 0 227.398 3.673 20 0 BHADRO CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000122028028 169292925 /nfs/dbraw/zinc/29/29/25/169292925.db2.gz NVWIFQSWPISTPR-WPRPVWTQSA-N 1 0 227.398 3.673 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000122030567 360167268 /nfs/dbraw/zinc/16/72/68/360167268.db2.gz CWNJJFFYOICMPO-ONGXEEELSA-N 1 0 241.425 3.919 20 0 BHADRO CC(C)C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000122030716 360167635 /nfs/dbraw/zinc/16/76/35/360167635.db2.gz CWNJJFFYOICMPO-GXSJLCMTSA-N 1 0 241.425 3.919 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CC=CC1 ZINC000122030985 490119333 /nfs/dbraw/zinc/11/93/33/490119333.db2.gz UCXQEKSAYFAVCY-HNNXBMFYSA-N 1 0 229.367 3.624 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CC=CC1 ZINC000122031180 490118794 /nfs/dbraw/zinc/11/87/94/490118794.db2.gz UCXQEKSAYFAVCY-OAHLLOKOSA-N 1 0 229.367 3.624 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]C2CC=CC2)C1 ZINC000122031477 490118977 /nfs/dbraw/zinc/11/89/77/490118977.db2.gz SKXNVYDADCIMAA-CYBMUJFWSA-N 1 0 231.339 3.601 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]C2CC=CC2)C1 ZINC000122031669 490119004 /nfs/dbraw/zinc/11/90/04/490119004.db2.gz SKXNVYDADCIMAA-ZDUSSCGKSA-N 1 0 231.339 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1C ZINC000122036153 490481812 /nfs/dbraw/zinc/48/18/12/490481812.db2.gz YNNPTYFFQCJMSF-CYBMUJFWSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1C ZINC000122036385 490118902 /nfs/dbraw/zinc/11/89/02/490118902.db2.gz YNNPTYFFQCJMSF-ZDUSSCGKSA-N 1 0 215.340 3.673 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000122038081 324027318 /nfs/dbraw/zinc/02/73/18/324027318.db2.gz WDDSISXLYQHCSH-STQMWFEESA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000122038290 324026916 /nfs/dbraw/zinc/02/69/16/324026916.db2.gz WDDSISXLYQHCSH-OLZOCXBDSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000122038482 324027417 /nfs/dbraw/zinc/02/74/17/324027417.db2.gz WDDSISXLYQHCSH-QWHCGFSZSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000122038709 324026962 /nfs/dbraw/zinc/02/69/62/324026962.db2.gz WDDSISXLYQHCSH-CHWSQXEVSA-N 1 0 237.362 3.638 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1cccs1 ZINC000122040231 490120258 /nfs/dbraw/zinc/12/02/58/490120258.db2.gz WSBPUCMGOYAUHZ-NSHDSACASA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1cccs1 ZINC000122040416 490120288 /nfs/dbraw/zinc/12/02/88/490120288.db2.gz WSBPUCMGOYAUHZ-LLVKDONJSA-N 1 0 207.342 3.507 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2CC=CC2)c1 ZINC000122046630 490121215 /nfs/dbraw/zinc/12/12/15/490121215.db2.gz LNSNDLNOGCHOES-CQSZACIVSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCS2)c(C)c1 ZINC000122046703 324028209 /nfs/dbraw/zinc/02/82/09/324028209.db2.gz MMVDXVLISYEXBS-AWEZNQCLSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2CC=CC2)c1 ZINC000122046832 490121095 /nfs/dbraw/zinc/12/10/95/490121095.db2.gz LNSNDLNOGCHOES-AWEZNQCLSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@H]2CCCS2)c(C)c1 ZINC000122046919 324028132 /nfs/dbraw/zinc/02/81/32/324028132.db2.gz MMVDXVLISYEXBS-CQSZACIVSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCS2)cc1C ZINC000122052576 324028249 /nfs/dbraw/zinc/02/82/49/324028249.db2.gz MXOLLHDRXZFHNB-HNNXBMFYSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@H]2CCCS2)cc1C ZINC000122052835 324028391 /nfs/dbraw/zinc/02/83/91/324028391.db2.gz MXOLLHDRXZFHNB-OAHLLOKOSA-N 1 0 249.423 3.597 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2CC2)c2ccsc2S1 ZINC000122054380 177368750 /nfs/dbraw/zinc/36/87/50/177368750.db2.gz SJLKFNBUMRNYNA-KWQFWETISA-N 1 0 239.409 3.673 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC2CC2)c2ccsc2S1 ZINC000122054611 177330586 /nfs/dbraw/zinc/33/05/86/177330586.db2.gz SJLKFNBUMRNYNA-GZMMTYOYSA-N 1 0 239.409 3.673 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cc2c(s1)CCC2 ZINC000122057406 490122212 /nfs/dbraw/zinc/12/22/12/490122212.db2.gz YMEPYBJLJNIBPI-JTQLQIEISA-N 1 0 233.380 3.606 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cc2c(s1)CCC2 ZINC000122057606 490122085 /nfs/dbraw/zinc/12/20/85/490122085.db2.gz YMEPYBJLJNIBPI-SNVBAGLBSA-N 1 0 233.380 3.606 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000122060466 589552044 /nfs/dbraw/zinc/55/20/44/589552044.db2.gz ZEEKSLLTCPXMBJ-DZGCQCFKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H]1C ZINC000122060685 589552047 /nfs/dbraw/zinc/55/20/47/589552047.db2.gz ZEEKSLLTCPXMBJ-ZFWWWQNUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H]1C ZINC000122060870 589551620 /nfs/dbraw/zinc/55/16/20/589551620.db2.gz ZEEKSLLTCPXMBJ-UKRRQHHQSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H]1C ZINC000122061060 589551961 /nfs/dbraw/zinc/55/19/61/589551961.db2.gz ZEEKSLLTCPXMBJ-HIFRSBDPSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1ccsc1 ZINC000122061357 179036786 /nfs/dbraw/zinc/03/67/86/179036786.db2.gz IWQBWUKIHYBZOF-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000122067257 324026334 /nfs/dbraw/zinc/02/63/34/324026334.db2.gz DSCNHZKFLVSOSX-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000122067496 324025880 /nfs/dbraw/zinc/02/58/80/324025880.db2.gz DSCNHZKFLVSOSX-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000122067715 324026471 /nfs/dbraw/zinc/02/64/71/324026471.db2.gz DSCNHZKFLVSOSX-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000122067921 324026367 /nfs/dbraw/zinc/02/63/67/324026367.db2.gz DSCNHZKFLVSOSX-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ncccc1C[N@@H+](C)C1CCCCCC1 ZINC000122068367 180218793 /nfs/dbraw/zinc/21/87/93/180218793.db2.gz ACUVJOJWSSWVCW-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000122070870 324026159 /nfs/dbraw/zinc/02/61/59/324026159.db2.gz OGEVJZGWWFYDEQ-KBPBESRZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000122071058 324025994 /nfs/dbraw/zinc/02/59/94/324025994.db2.gz OGEVJZGWWFYDEQ-KGLIPLIRSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000122071181 324026018 /nfs/dbraw/zinc/02/60/18/324026018.db2.gz OGEVJZGWWFYDEQ-UONOGXRCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000122071344 323092614 /nfs/dbraw/zinc/09/26/14/323092614.db2.gz OGEVJZGWWFYDEQ-ZIAGYGMSSA-N 1 0 209.377 3.733 20 0 BHADRO c1ccc2c(NC[C@@H]3CCCS3)cc[nH+]c2c1 ZINC000122081130 387464770 /nfs/dbraw/zinc/46/47/70/387464770.db2.gz JNCDGRLYZKKJQE-NSHDSACASA-N 1 0 244.363 3.542 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC=CC2)c(C)c1 ZINC000122081278 491111194 /nfs/dbraw/zinc/11/11/94/491111194.db2.gz SLWDRSPDEDTAGP-CYBMUJFWSA-N 1 0 215.340 3.673 20 0 BHADRO c1ccc2c(NC[C@H]3CCCS3)cc[nH+]c2c1 ZINC000122081367 384686829 /nfs/dbraw/zinc/68/68/29/384686829.db2.gz JNCDGRLYZKKJQE-LLVKDONJSA-N 1 0 244.363 3.542 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC=CC2)c(C)c1 ZINC000122081509 491111235 /nfs/dbraw/zinc/11/12/35/491111235.db2.gz SLWDRSPDEDTAGP-ZDUSSCGKSA-N 1 0 215.340 3.673 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122081936 491111203 /nfs/dbraw/zinc/11/12/03/491111203.db2.gz WLDZVMPDEBEUTC-CYBMUJFWSA-N 1 0 245.366 3.843 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122082183 491111232 /nfs/dbraw/zinc/11/12/32/491111232.db2.gz WLDZVMPDEBEUTC-ZDUSSCGKSA-N 1 0 245.366 3.843 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122082441 490123990 /nfs/dbraw/zinc/12/39/90/490123990.db2.gz OOSMHABMOHHGDK-NSHDSACASA-N 1 0 233.380 3.778 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122082675 490124202 /nfs/dbraw/zinc/12/42/02/490124202.db2.gz OOSMHABMOHHGDK-LLVKDONJSA-N 1 0 233.380 3.778 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000122083816 490124191 /nfs/dbraw/zinc/12/41/91/490124191.db2.gz JNDYYORYUZIIIC-WBMJQRKESA-N 1 0 227.351 3.933 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000122084042 490124371 /nfs/dbraw/zinc/12/43/71/490124371.db2.gz JNDYYORYUZIIIC-LRDDRELGSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000122084264 490124379 /nfs/dbraw/zinc/12/43/79/490124379.db2.gz JNDYYORYUZIIIC-MLGOLLRUSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000122084505 490124396 /nfs/dbraw/zinc/12/43/96/490124396.db2.gz JNDYYORYUZIIIC-BLLLJJGKSA-N 1 0 227.351 3.933 20 0 BHADRO CSCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000122088917 324027423 /nfs/dbraw/zinc/02/74/23/324027423.db2.gz ZMFPEWCIEQFAHF-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000122089150 324027171 /nfs/dbraw/zinc/02/71/71/324027171.db2.gz ZMFPEWCIEQFAHF-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000122089373 324027490 /nfs/dbraw/zinc/02/74/90/324027490.db2.gz ZMFPEWCIEQFAHF-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000122089565 324026909 /nfs/dbraw/zinc/02/69/09/324026909.db2.gz ZMFPEWCIEQFAHF-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000122093341 324027039 /nfs/dbraw/zinc/02/70/39/324027039.db2.gz NHXVWLVZCUKXCQ-KPPDAEKUSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000122093542 324027020 /nfs/dbraw/zinc/02/70/20/324027020.db2.gz NHXVWLVZCUKXCQ-WHXUTIOJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cnc2ccsc2c1 ZINC000122094981 490123956 /nfs/dbraw/zinc/12/39/56/490123956.db2.gz PQFFZDSMXKYPOD-JTQLQIEISA-N 1 0 244.363 3.666 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cnc2ccsc2c1 ZINC000122095188 490482156 /nfs/dbraw/zinc/48/21/56/490482156.db2.gz PQFFZDSMXKYPOD-SNVBAGLBSA-N 1 0 244.363 3.666 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000122095409 324027373 /nfs/dbraw/zinc/02/73/73/324027373.db2.gz DSCHWUPXZHRVGJ-RDBSUJKOSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000122095865 324026870 /nfs/dbraw/zinc/02/68/70/324026870.db2.gz DSCHWUPXZHRVGJ-HZSPNIEDSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122096570 324027144 /nfs/dbraw/zinc/02/71/44/324027144.db2.gz KIVNCMVTPFQNOP-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122096966 324028305 /nfs/dbraw/zinc/02/83/05/324028305.db2.gz KIVNCMVTPFQNOP-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C)CC[NH2+]C/C=C/c1ccccc1 ZINC000122097176 324026138 /nfs/dbraw/zinc/02/61/38/324026138.db2.gz XLOCLQMXZKCMPH-JXMROGBWSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000122097209 324025759 /nfs/dbraw/zinc/02/57/59/324025759.db2.gz ZVCYFNMDUGHJQM-QWRGUYRKSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000122097379 324027471 /nfs/dbraw/zinc/02/74/71/324027471.db2.gz ZVCYFNMDUGHJQM-MNOVXSKESA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cc(C[NH2+]Cc2c(C)cccc2C)c(C)o1 ZINC000122097489 589554178 /nfs/dbraw/zinc/55/41/78/589554178.db2.gz GTQDZCYYNPSFNR-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000122097595 324027336 /nfs/dbraw/zinc/02/73/36/324027336.db2.gz ZVCYFNMDUGHJQM-WDEREUQCSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000122097765 384455585 /nfs/dbraw/zinc/45/55/85/384455585.db2.gz ZVCYFNMDUGHJQM-GHMZBOCLSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000122098857 324031217 /nfs/dbraw/zinc/03/12/17/324031217.db2.gz NRENCARSKIDBRO-IHRRRGAJSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000122099244 324030731 /nfs/dbraw/zinc/03/07/31/324030731.db2.gz NRENCARSKIDBRO-MELADBBJSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122107404 387485923 /nfs/dbraw/zinc/48/59/23/387485923.db2.gz YHGPFBIKNFKQHW-NSHDSACASA-N 1 0 240.416 3.807 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122107624 387486165 /nfs/dbraw/zinc/48/61/65/387486165.db2.gz YHGPFBIKNFKQHW-LLVKDONJSA-N 1 0 240.416 3.807 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC=CC1 ZINC000122108093 490125948 /nfs/dbraw/zinc/12/59/48/490125948.db2.gz REXREHOBOZZFMX-AWEZNQCLSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC=CC1 ZINC000122108262 490125731 /nfs/dbraw/zinc/12/57/31/490125731.db2.gz REXREHOBOZZFMX-CQSZACIVSA-N 1 0 233.742 3.636 20 0 BHADRO CC(C)C1CCC([NH2+]C2CC=CC2)CC1 ZINC000122108484 490238238 /nfs/dbraw/zinc/23/82/38/490238238.db2.gz FHIFKCKWMFHHGI-UHFFFAOYSA-N 1 0 207.361 3.509 20 0 BHADRO FCCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000122109069 387484567 /nfs/dbraw/zinc/48/45/67/387484567.db2.gz QRPQCYZNGMTJPC-UHFFFAOYSA-N 1 0 235.346 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](CCCF)C(C)C)s1 ZINC000122113610 384457294 /nfs/dbraw/zinc/45/72/94/384457294.db2.gz JJAIUNLCCIPPRQ-UHFFFAOYSA-N 1 0 229.364 3.627 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C1CC=CC1 ZINC000122115993 490126024 /nfs/dbraw/zinc/12/60/24/490126024.db2.gz XZRYUNHWDHYGPH-LBPRGKRZSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C1CC=CC1 ZINC000122116183 490126056 /nfs/dbraw/zinc/12/60/56/490126056.db2.gz XZRYUNHWDHYGPH-GFCCVEGCSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cc2ccccc2o1 ZINC000122119527 490125281 /nfs/dbraw/zinc/12/52/81/490125281.db2.gz FJBCVCPRABEPKB-NSHDSACASA-N 1 0 227.307 3.802 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cc2ccccc2o1 ZINC000122119757 490125691 /nfs/dbraw/zinc/12/56/91/490125691.db2.gz FJBCVCPRABEPKB-LLVKDONJSA-N 1 0 227.307 3.802 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000122122311 324030163 /nfs/dbraw/zinc/03/01/63/324030163.db2.gz TYOURKKGZAIAGL-SCDSUCTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000122122785 324030066 /nfs/dbraw/zinc/03/00/66/324030066.db2.gz TYOURKKGZAIAGL-MPKXVKKWSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000122124006 589556296 /nfs/dbraw/zinc/55/62/96/589556296.db2.gz XJWDWEVZYLZVBG-SMDDNHRTSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000122124217 589556496 /nfs/dbraw/zinc/55/64/96/589556496.db2.gz XJWDWEVZYLZVBG-FZMZJTMJSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000122124467 589556458 /nfs/dbraw/zinc/55/64/58/589556458.db2.gz XJWDWEVZYLZVBG-BXUZGUMPSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000122124655 589556304 /nfs/dbraw/zinc/55/63/04/589556304.db2.gz XJWDWEVZYLZVBG-RISCZKNCSA-N 1 0 217.356 3.582 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC=CC2)s1 ZINC000122125657 490125753 /nfs/dbraw/zinc/12/57/53/490125753.db2.gz WCHHQNRYGQYLMZ-SNVBAGLBSA-N 1 0 221.369 3.680 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC=CC2)s1 ZINC000122125855 490125824 /nfs/dbraw/zinc/12/58/24/490125824.db2.gz WCHHQNRYGQYLMZ-JTQLQIEISA-N 1 0 221.369 3.680 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)C1CCCCC1 ZINC000122126751 589556717 /nfs/dbraw/zinc/55/67/17/589556717.db2.gz ULOUDBRJMDXIHP-AWEZNQCLSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)C1CCCCC1 ZINC000122126932 589556877 /nfs/dbraw/zinc/55/68/77/589556877.db2.gz ULOUDBRJMDXIHP-CQSZACIVSA-N 1 0 207.361 3.654 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC=CC2)cc(C)c1F ZINC000122131687 490125742 /nfs/dbraw/zinc/12/57/42/490125742.db2.gz CGCIBQLJONPELB-GFCCVEGCSA-N 1 0 233.330 3.812 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC=CC2)cc(C)c1F ZINC000122131904 490125917 /nfs/dbraw/zinc/12/59/17/490125917.db2.gz CGCIBQLJONPELB-LBPRGKRZSA-N 1 0 233.330 3.812 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000122144694 632057895 /nfs/dbraw/zinc/05/78/95/632057895.db2.gz KUHDWKCFJWTWRO-NSHDSACASA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000122144876 589557184 /nfs/dbraw/zinc/55/71/84/589557184.db2.gz KUHDWKCFJWTWRO-LLVKDONJSA-N 1 0 240.778 3.822 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000122145226 176234606 /nfs/dbraw/zinc/23/46/06/176234606.db2.gz ZFANBQGQQJNCHI-NTZNESFSSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000122145658 176214444 /nfs/dbraw/zinc/21/44/44/176214444.db2.gz ZFANBQGQQJNCHI-NQBHXWOUSA-N 1 0 233.380 3.612 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000122153758 387487872 /nfs/dbraw/zinc/48/78/72/387487872.db2.gz JCJXQTHTALJOGR-ZDUSSCGKSA-N 1 0 237.391 3.551 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000122153965 166817536 /nfs/dbraw/zinc/81/75/36/166817536.db2.gz JCJXQTHTALJOGR-CYBMUJFWSA-N 1 0 237.391 3.551 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)CCC=C(C)C ZINC000122159664 589557667 /nfs/dbraw/zinc/55/76/67/589557667.db2.gz BMHGZSDHJFJWEK-LBPRGKRZSA-N 1 0 229.433 3.853 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)CCC=C(C)C ZINC000122159901 589557734 /nfs/dbraw/zinc/55/77/34/589557734.db2.gz BMHGZSDHJFJWEK-GFCCVEGCSA-N 1 0 229.433 3.853 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000122162396 589560018 /nfs/dbraw/zinc/56/00/18/589560018.db2.gz RXPBZUBETOORKH-JTQLQIEISA-N 1 0 249.489 3.638 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000122162630 589559861 /nfs/dbraw/zinc/55/98/61/589559861.db2.gz RXPBZUBETOORKH-SNVBAGLBSA-N 1 0 249.489 3.638 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)cc1 ZINC000122162762 324032052 /nfs/dbraw/zinc/03/20/52/324032052.db2.gz ITWVHTLFUNWJAV-CYBMUJFWSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)cc1 ZINC000122162990 324031685 /nfs/dbraw/zinc/03/16/85/324031685.db2.gz ITWVHTLFUNWJAV-ZDUSSCGKSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)SC ZINC000122164567 589559907 /nfs/dbraw/zinc/55/99/07/589559907.db2.gz KYHCIQPKXXXPDB-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)SC ZINC000122164833 589560160 /nfs/dbraw/zinc/56/01/60/589560160.db2.gz KYHCIQPKXXXPDB-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)SC ZINC000122165029 589560314 /nfs/dbraw/zinc/56/03/14/589560314.db2.gz KYHCIQPKXXXPDB-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)SC ZINC000122165259 589560350 /nfs/dbraw/zinc/56/03/50/589560350.db2.gz KYHCIQPKXXXPDB-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)OC)c1ccccc1 ZINC000122171628 384462091 /nfs/dbraw/zinc/46/20/91/384462091.db2.gz JCPSMXXTXSAFJE-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)OC)c1ccccc1 ZINC000122171873 387486858 /nfs/dbraw/zinc/48/68/58/387486858.db2.gz JCPSMXXTXSAFJE-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)SC)o1 ZINC000122173126 589560835 /nfs/dbraw/zinc/56/08/35/589560835.db2.gz CBYSXBDXZPQPKV-SNVBAGLBSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)SC)o1 ZINC000122173398 589560898 /nfs/dbraw/zinc/56/08/98/589560898.db2.gz CBYSXBDXZPQPKV-JTQLQIEISA-N 1 0 241.400 3.634 20 0 BHADRO CCCC1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000122182268 324033206 /nfs/dbraw/zinc/03/32/06/324033206.db2.gz MCHDOGFEUZVRAF-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCOC(C)(C)C)cc1 ZINC000122185267 324033056 /nfs/dbraw/zinc/03/30/56/324033056.db2.gz WUUWDUNETBPIIM-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000122185942 387487578 /nfs/dbraw/zinc/48/75/78/387487578.db2.gz CYPXIJMWJZVUTK-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000122186191 387488145 /nfs/dbraw/zinc/48/81/45/387488145.db2.gz CYPXIJMWJZVUTK-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO CSc1ccc(F)cc1C[NH2+][C@H](C)C(C)C ZINC000122190533 387487231 /nfs/dbraw/zinc/48/72/31/387487231.db2.gz GAWHTXDCTDOCJQ-SNVBAGLBSA-N 1 0 241.375 3.682 20 0 BHADRO CSc1ccc(F)cc1C[NH2+][C@@H](C)C(C)C ZINC000122190700 387488798 /nfs/dbraw/zinc/48/87/98/387488798.db2.gz GAWHTXDCTDOCJQ-JTQLQIEISA-N 1 0 241.375 3.682 20 0 BHADRO CC(C)(C)C[NH2+]CCCCc1ccccc1 ZINC000122203816 362944252 /nfs/dbraw/zinc/94/42/52/362944252.db2.gz ZRELIEVFQBJQIZ-UHFFFAOYSA-N 1 0 219.372 3.645 20 0 BHADRO c1csc([C@H]([NH2+]Cc2ccoc2)C2CC2)c1 ZINC000122204137 589565705 /nfs/dbraw/zinc/56/57/05/589565705.db2.gz CJEAAKJJICNLHU-CYBMUJFWSA-N 1 0 233.336 3.582 20 0 BHADRO c1csc([C@@H]([NH2+]Cc2ccoc2)C2CC2)c1 ZINC000122204352 589565404 /nfs/dbraw/zinc/56/54/04/589565404.db2.gz CJEAAKJJICNLHU-ZDUSSCGKSA-N 1 0 233.336 3.582 20 0 BHADRO CCCCC[N@H+](Cc1ccc(C)nc1)C(C)C ZINC000122229770 387501317 /nfs/dbraw/zinc/50/13/17/387501317.db2.gz BUURRYWPUXDUNV-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO Cc1ccc(C[NH+](CC(C)C)CC(C)C)cn1 ZINC000122258499 387501599 /nfs/dbraw/zinc/50/15/99/387501599.db2.gz BWTIXONWIPZOBM-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000122266566 173943754 /nfs/dbraw/zinc/94/37/54/173943754.db2.gz DNIVJJFEKFSIQE-DOMZBBRYSA-N 1 0 247.382 3.640 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000122266772 387501188 /nfs/dbraw/zinc/50/11/88/387501188.db2.gz DNIVJJFEKFSIQE-WFASDCNBSA-N 1 0 247.382 3.640 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000122267001 387500376 /nfs/dbraw/zinc/50/03/76/387500376.db2.gz DNIVJJFEKFSIQE-IUODEOHRSA-N 1 0 247.382 3.640 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000122267208 387501258 /nfs/dbraw/zinc/50/12/58/387501258.db2.gz DNIVJJFEKFSIQE-SWLSCSKDSA-N 1 0 247.382 3.640 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000122273355 490131308 /nfs/dbraw/zinc/13/13/08/490131308.db2.gz UQBIEVAINHAMGC-LBPRGKRZSA-N 1 0 240.416 3.928 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000122273542 490131420 /nfs/dbraw/zinc/13/14/20/490131420.db2.gz UQBIEVAINHAMGC-GFCCVEGCSA-N 1 0 240.416 3.928 20 0 BHADRO CCCCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000122275038 589574020 /nfs/dbraw/zinc/57/40/20/589574020.db2.gz WXJBRKVTXVTAOQ-UHFFFAOYSA-N 1 0 232.371 3.626 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccco1 ZINC000122306035 384471249 /nfs/dbraw/zinc/47/12/49/384471249.db2.gz UOKWNXSAOIKLNU-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000122306197 384472485 /nfs/dbraw/zinc/47/24/85/384472485.db2.gz UOKWNXSAOIKLNU-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(CCOC)CCCC1 ZINC000122325375 324038479 /nfs/dbraw/zinc/03/84/79/324038479.db2.gz ZZDPHHWWXWYRDW-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000122325556 387514626 /nfs/dbraw/zinc/51/46/26/387514626.db2.gz GIULBESYAQOZFK-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(CCOC)CCCC1 ZINC000122325624 324038409 /nfs/dbraw/zinc/03/84/09/324038409.db2.gz ZZDPHHWWXWYRDW-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(CCOC)CCCC1 ZINC000122325777 324037760 /nfs/dbraw/zinc/03/77/60/324037760.db2.gz ZZDPHHWWXWYRDW-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000122325794 387513298 /nfs/dbraw/zinc/51/32/98/387513298.db2.gz GIULBESYAQOZFK-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(CCOC)CCCC1 ZINC000122326002 324037736 /nfs/dbraw/zinc/03/77/36/324037736.db2.gz ZZDPHHWWXWYRDW-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cn1 ZINC000122348959 387514666 /nfs/dbraw/zinc/51/46/66/387514666.db2.gz VPNUPMPSUWZXNP-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccs2)cn1 ZINC000122349190 387513394 /nfs/dbraw/zinc/51/33/94/387513394.db2.gz VPNUPMPSUWZXNP-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)ccc1F ZINC000122358405 324045314 /nfs/dbraw/zinc/04/53/14/324045314.db2.gz CBCZYSLUQFTGJY-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)ccc1C ZINC000122361985 324045108 /nfs/dbraw/zinc/04/51/08/324045108.db2.gz RACFVUAUQZWVQW-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCCC(C)(C)[NH2+]C/C=C/c1ccccc1 ZINC000122362159 324044981 /nfs/dbraw/zinc/04/49/81/324044981.db2.gz STLYNSMGJSDGGW-DHZHZOJOSA-N 1 0 217.356 3.868 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(C)c1 ZINC000122363190 324045251 /nfs/dbraw/zinc/04/52/51/324045251.db2.gz IDNRTSVRRGMEPC-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000122363385 324045000 /nfs/dbraw/zinc/04/50/00/324045000.db2.gz JFZWMYUVSBJJPI-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)cc1 ZINC000122370244 324041976 /nfs/dbraw/zinc/04/19/76/324041976.db2.gz VNILGCLGUMAVSH-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(F)c1F ZINC000122371726 324041722 /nfs/dbraw/zinc/04/17/22/324041722.db2.gz LWZFIQHGDSQMCU-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccccc1C ZINC000122372117 324041978 /nfs/dbraw/zinc/04/19/78/324041978.db2.gz NBQJFYIAMXECDA-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000122373585 324042007 /nfs/dbraw/zinc/04/20/07/324042007.db2.gz MWSLKFAJGIHDRV-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CC(C)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000122378203 324042611 /nfs/dbraw/zinc/04/26/11/324042611.db2.gz DYYLINGCEHWEQI-UHFFFAOYSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H]([NH2+]CC1(CCOC)CCCC1)C(C)C ZINC000122397061 324043609 /nfs/dbraw/zinc/04/36/09/324043609.db2.gz VGQJVMNCOXLPOD-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC1(CCOC)CCCC1)C(C)C ZINC000122397285 324043115 /nfs/dbraw/zinc/04/31/15/324043115.db2.gz VGQJVMNCOXLPOD-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)o1 ZINC000122401185 387526970 /nfs/dbraw/zinc/52/69/70/387526970.db2.gz CNHRUEOTKBCRBH-LLVKDONJSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)o1 ZINC000122401368 387527089 /nfs/dbraw/zinc/52/70/89/387527089.db2.gz CNHRUEOTKBCRBH-NSHDSACASA-N 1 0 221.344 3.510 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000122404378 188179189 /nfs/dbraw/zinc/17/91/89/188179189.db2.gz RKGUPOIAHQBEAB-VIFPVBQESA-N 1 0 227.735 3.601 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000122404545 350111845 /nfs/dbraw/zinc/11/18/45/350111845.db2.gz RKGUPOIAHQBEAB-SECBINFHSA-N 1 0 227.735 3.601 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)C(C)(C)C)CCCC1 ZINC000122420788 324044665 /nfs/dbraw/zinc/04/46/65/324044665.db2.gz XTFILMLVWLUHIO-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC1(C[NH2+][C@H](C)C(C)(C)C)CCCC1 ZINC000122420994 324044292 /nfs/dbraw/zinc/04/42/92/324044292.db2.gz XTFILMLVWLUHIO-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000122421350 324044226 /nfs/dbraw/zinc/04/42/26/324044226.db2.gz FXRFCEWFGGDVPJ-MNOVXSKESA-N 1 0 239.334 3.529 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000122421546 323169037 /nfs/dbraw/zinc/16/90/37/323169037.db2.gz FXRFCEWFGGDVPJ-QWRGUYRKSA-N 1 0 239.334 3.529 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000122421755 324043947 /nfs/dbraw/zinc/04/39/47/324043947.db2.gz FXRFCEWFGGDVPJ-GHMZBOCLSA-N 1 0 239.334 3.529 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000122421984 324044596 /nfs/dbraw/zinc/04/45/96/324044596.db2.gz FXRFCEWFGGDVPJ-WDEREUQCSA-N 1 0 239.334 3.529 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122443185 490141061 /nfs/dbraw/zinc/14/10/61/490141061.db2.gz MULIJVPXDDMVIR-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122443417 490141144 /nfs/dbraw/zinc/14/11/44/490141144.db2.gz MULIJVPXDDMVIR-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000122443637 490141049 /nfs/dbraw/zinc/14/10/49/490141049.db2.gz MULIJVPXDDMVIR-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000122443859 490141196 /nfs/dbraw/zinc/14/11/96/490141196.db2.gz MULIJVPXDDMVIR-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cs1 ZINC000122446470 180036726 /nfs/dbraw/zinc/03/67/26/180036726.db2.gz NQHZGOXPGIHKMQ-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000122446536 324047982 /nfs/dbraw/zinc/04/79/82/324047982.db2.gz RUSVGVZXWCGGPL-MNOVXSKESA-N 1 0 239.334 3.674 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cs1 ZINC000122446680 180051656 /nfs/dbraw/zinc/05/16/56/180051656.db2.gz NQHZGOXPGIHKMQ-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000122446750 324048287 /nfs/dbraw/zinc/04/82/87/324048287.db2.gz RUSVGVZXWCGGPL-QWRGUYRKSA-N 1 0 239.334 3.674 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)cs1 ZINC000122446882 180038044 /nfs/dbraw/zinc/03/80/44/180038044.db2.gz NQHZGOXPGIHKMQ-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122446962 323400322 /nfs/dbraw/zinc/40/03/22/323400322.db2.gz RUSVGVZXWCGGPL-GHMZBOCLSA-N 1 0 239.334 3.674 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)cs1 ZINC000122447107 180051704 /nfs/dbraw/zinc/05/17/04/180051704.db2.gz NQHZGOXPGIHKMQ-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122447247 324048227 /nfs/dbraw/zinc/04/82/27/324048227.db2.gz RUSVGVZXWCGGPL-WDEREUQCSA-N 1 0 239.334 3.674 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccoc1 ZINC000122450867 343159593 /nfs/dbraw/zinc/15/95/93/343159593.db2.gz LLVYMYKSISXRNZ-CMPLNLGQSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccoc1 ZINC000122451092 343159431 /nfs/dbraw/zinc/15/94/31/343159431.db2.gz LLVYMYKSISXRNZ-ZYHUDNBSSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccoc1 ZINC000122451339 343159653 /nfs/dbraw/zinc/15/96/53/343159653.db2.gz LLVYMYKSISXRNZ-JQWIXIFHSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccoc1 ZINC000122451576 343159313 /nfs/dbraw/zinc/15/93/13/343159313.db2.gz LLVYMYKSISXRNZ-PWSUYJOCSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C1CCSCC1 ZINC000122459198 324044984 /nfs/dbraw/zinc/04/49/84/324044984.db2.gz AWRPPJWATDOGIG-UHFFFAOYSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccoc1 ZINC000122459447 324045087 /nfs/dbraw/zinc/04/50/87/324045087.db2.gz UHACCMFEJDXSFX-UHFFFAOYSA-N 1 0 223.360 3.830 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000122459761 324046541 /nfs/dbraw/zinc/04/65/41/324046541.db2.gz UDXRVSSVOXGLHC-LRDDRELGSA-N 1 0 245.341 3.759 20 0 BHADRO CCCCCCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000122459775 589592041 /nfs/dbraw/zinc/59/20/41/589592041.db2.gz OWSYLZYYQIOGKR-GFCCVEGCSA-N 1 0 248.370 3.615 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000122459985 324046491 /nfs/dbraw/zinc/04/64/91/324046491.db2.gz UDXRVSSVOXGLHC-BLLLJJGKSA-N 1 0 245.341 3.759 20 0 BHADRO CCCCCCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000122460009 589592265 /nfs/dbraw/zinc/59/22/65/589592265.db2.gz OWSYLZYYQIOGKR-LBPRGKRZSA-N 1 0 248.370 3.615 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000122460203 324045887 /nfs/dbraw/zinc/04/58/87/324045887.db2.gz UDXRVSSVOXGLHC-WBMJQRKESA-N 1 0 245.341 3.759 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000122460445 324046146 /nfs/dbraw/zinc/04/61/46/324046146.db2.gz UDXRVSSVOXGLHC-MLGOLLRUSA-N 1 0 245.341 3.759 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C(C)(C)C ZINC000122472179 343159656 /nfs/dbraw/zinc/15/96/56/343159656.db2.gz UQHLYWDMUSCYAM-QWHCGFSZSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)C(C)(C)C ZINC000122472329 343159717 /nfs/dbraw/zinc/15/97/17/343159717.db2.gz UQHLYWDMUSCYAM-CHWSQXEVSA-N 1 0 249.398 3.738 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)cc(C)c1O ZINC000122474243 343159421 /nfs/dbraw/zinc/15/94/21/343159421.db2.gz SPSUAELGJNFIJT-GFCCVEGCSA-N 1 0 235.371 3.533 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000122489715 384484787 /nfs/dbraw/zinc/48/47/87/384484787.db2.gz YKBDNBBBSIQMSM-UHFFFAOYSA-N 1 0 242.366 3.516 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)C(C)C)CCCC1 ZINC000122502470 324046407 /nfs/dbraw/zinc/04/64/07/324046407.db2.gz APVGHRHEZGAZNH-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)C(C)C)CCCC1 ZINC000122502720 324045847 /nfs/dbraw/zinc/04/58/47/324045847.db2.gz APVGHRHEZGAZNH-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000122502804 384485239 /nfs/dbraw/zinc/48/52/39/384485239.db2.gz AJWYABUEOQAFIS-LLVKDONJSA-N 1 0 241.425 3.638 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000122502833 324046475 /nfs/dbraw/zinc/04/64/75/324046475.db2.gz PSXKDWYWKSRAQI-JTQLQIEISA-N 1 0 239.334 3.674 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000122503039 384486063 /nfs/dbraw/zinc/48/60/63/384486063.db2.gz AJWYABUEOQAFIS-NSHDSACASA-N 1 0 241.425 3.638 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122503110 324045934 /nfs/dbraw/zinc/04/59/34/324045934.db2.gz PSXKDWYWKSRAQI-SNVBAGLBSA-N 1 0 239.334 3.674 20 0 BHADRO CCSCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000122510573 387544855 /nfs/dbraw/zinc/54/48/55/387544855.db2.gz IYGLDCYNFWBIBO-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000122520477 324046884 /nfs/dbraw/zinc/04/68/84/324046884.db2.gz LGCLUBQZEVSIML-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000122520929 324047558 /nfs/dbraw/zinc/04/75/58/324047558.db2.gz LGCLUBQZEVSIML-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000122529289 324047487 /nfs/dbraw/zinc/04/74/87/324047487.db2.gz HXQYLBWFHLYMFQ-RWMBFGLXSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000122529746 322995335 /nfs/dbraw/zinc/99/53/35/322995335.db2.gz HXQYLBWFHLYMFQ-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000122539393 324051434 /nfs/dbraw/zinc/05/14/34/324051434.db2.gz CKDAUHJESBIYJU-QWHCGFSZSA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000122539580 323099346 /nfs/dbraw/zinc/09/93/46/323099346.db2.gz CKDAUHJESBIYJU-CHWSQXEVSA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000122539782 324051709 /nfs/dbraw/zinc/05/17/09/324051709.db2.gz CKDAUHJESBIYJU-STQMWFEESA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000122539988 324051806 /nfs/dbraw/zinc/05/18/06/324051806.db2.gz CKDAUHJESBIYJU-OLZOCXBDSA-N 1 0 227.417 3.607 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000122545960 324048437 /nfs/dbraw/zinc/04/84/37/324048437.db2.gz LPPFLVKIJRVPCM-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000122546287 324048077 /nfs/dbraw/zinc/04/80/77/324048077.db2.gz LPPFLVKIJRVPCM-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCSC1 ZINC000122548728 323099954 /nfs/dbraw/zinc/09/99/54/323099954.db2.gz ZBFNVJZWAXHPRU-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCSC1 ZINC000122549173 324048393 /nfs/dbraw/zinc/04/83/93/324048393.db2.gz ZBFNVJZWAXHPRU-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCCSC1 ZINC000122553499 324048120 /nfs/dbraw/zinc/04/81/20/324048120.db2.gz MBAAFYALIVIRNC-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCCSC1 ZINC000122553709 324048221 /nfs/dbraw/zinc/04/82/21/324048221.db2.gz MBAAFYALIVIRNC-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCCSC1 ZINC000122553940 324048712 /nfs/dbraw/zinc/04/87/12/324048712.db2.gz MBAAFYALIVIRNC-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCCSC1 ZINC000122554129 324048142 /nfs/dbraw/zinc/04/81/42/324048142.db2.gz MBAAFYALIVIRNC-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C1CCSCC1 ZINC000122564096 324049205 /nfs/dbraw/zinc/04/92/05/324049205.db2.gz GFHHZSZOAYRALO-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C1CCSCC1 ZINC000122564327 324049440 /nfs/dbraw/zinc/04/94/40/324049440.db2.gz GFHHZSZOAYRALO-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CC[C@@H](C)C[NH2+]C1(c2nccs2)CCCC1 ZINC000122578422 385648863 /nfs/dbraw/zinc/64/88/63/385648863.db2.gz UKGCJMSKAPLXCX-LLVKDONJSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@H](C)C[NH2+]C1(c2nccs2)CCCC1 ZINC000122578641 171283700 /nfs/dbraw/zinc/28/37/00/171283700.db2.gz UKGCJMSKAPLXCX-NSHDSACASA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000122581655 324049642 /nfs/dbraw/zinc/04/96/42/324049642.db2.gz IWANWVCJESBFFG-MFKMUULPSA-N 1 0 240.416 3.712 20 0 BHADRO CC[C@H](C)C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000122581906 324049315 /nfs/dbraw/zinc/04/93/15/324049315.db2.gz IWANWVCJESBFFG-GWCFXTLKSA-N 1 0 240.416 3.712 20 0 BHADRO CC[C@@H](C)C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000122582138 324049231 /nfs/dbraw/zinc/04/92/31/324049231.db2.gz IWANWVCJESBFFG-ZWNOBZJWSA-N 1 0 240.416 3.712 20 0 BHADRO CC[C@H](C)C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000122582390 324050259 /nfs/dbraw/zinc/05/02/59/324050259.db2.gz IWANWVCJESBFFG-GXFFZTMASA-N 1 0 240.416 3.712 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000122584045 385658692 /nfs/dbraw/zinc/65/86/92/385658692.db2.gz HIVRVQIWWKUHNK-SECBINFHSA-N 1 0 240.416 3.631 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000122584306 171283852 /nfs/dbraw/zinc/28/38/52/171283852.db2.gz HIVRVQIWWKUHNK-VIFPVBQESA-N 1 0 240.416 3.631 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000122619147 324050545 /nfs/dbraw/zinc/05/05/45/324050545.db2.gz IUHYACPOKFJXQZ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000122619313 324050714 /nfs/dbraw/zinc/05/07/14/324050714.db2.gz IUHYACPOKFJXQZ-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)c1ccc(C)cc1 ZINC000122639007 387571089 /nfs/dbraw/zinc/57/10/89/387571089.db2.gz FXRJLJIHNGXOKV-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)c1ccc(C)cc1 ZINC000122639251 387571653 /nfs/dbraw/zinc/57/16/53/387571653.db2.gz FXRJLJIHNGXOKV-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000122643412 387571380 /nfs/dbraw/zinc/57/13/80/387571380.db2.gz QZPLVPKJBWTGAP-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000122643710 387571554 /nfs/dbraw/zinc/57/15/54/387571554.db2.gz QZPLVPKJBWTGAP-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000122647116 324051374 /nfs/dbraw/zinc/05/13/74/324051374.db2.gz SNMPTFZZIIVBOS-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000122647313 324051149 /nfs/dbraw/zinc/05/11/49/324051149.db2.gz SNMPTFZZIIVBOS-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)CC1CC1 ZINC000122651869 384500683 /nfs/dbraw/zinc/50/06/83/384500683.db2.gz UPIIKVKTPPLJOT-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)CC1CC1 ZINC000122652109 170459181 /nfs/dbraw/zinc/45/91/81/170459181.db2.gz UPIIKVKTPPLJOT-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(C)C ZINC000122652405 324052222 /nfs/dbraw/zinc/05/22/22/324052222.db2.gz DKHGTDZCFCZHNW-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(C)C ZINC000122652894 324052427 /nfs/dbraw/zinc/05/24/27/324052427.db2.gz DKHGTDZCFCZHNW-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000122653590 324052129 /nfs/dbraw/zinc/05/21/29/324052129.db2.gz LURORRHVULJVJS-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000122654000 324052621 /nfs/dbraw/zinc/05/26/21/324052621.db2.gz LURORRHVULJVJS-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000122654259 363372736 /nfs/dbraw/zinc/37/27/36/363372736.db2.gz NZGWJEDHTCQNSE-QWHCGFSZSA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000122654486 363374987 /nfs/dbraw/zinc/37/49/87/363374987.db2.gz NZGWJEDHTCQNSE-STQMWFEESA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000122654698 363375858 /nfs/dbraw/zinc/37/58/58/363375858.db2.gz NZGWJEDHTCQNSE-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000122654936 363375926 /nfs/dbraw/zinc/37/59/26/363375926.db2.gz NZGWJEDHTCQNSE-OLZOCXBDSA-N 1 0 227.417 3.583 20 0 BHADRO COCCCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000122663848 324052321 /nfs/dbraw/zinc/05/23/21/324052321.db2.gz QZXUJNVPXKSHIY-AWEZNQCLSA-N 1 0 227.392 3.528 20 0 BHADRO COCCCCC[NH2+][C@H](C)CCC=C(C)C ZINC000122664089 324052587 /nfs/dbraw/zinc/05/25/87/324052587.db2.gz QZXUJNVPXKSHIY-CQSZACIVSA-N 1 0 227.392 3.528 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000122667270 324053451 /nfs/dbraw/zinc/05/34/51/324053451.db2.gz BTHITBJHNVHRDI-ZDUSSCGKSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000122667485 324053404 /nfs/dbraw/zinc/05/34/04/324053404.db2.gz BTHITBJHNVHRDI-CYBMUJFWSA-N 1 0 249.398 3.747 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C(C)(C)C ZINC000122669780 324053748 /nfs/dbraw/zinc/05/37/48/324053748.db2.gz XHBGTMXSLZNPBU-NWDGAFQWSA-N 1 0 249.423 3.900 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C(C)(C)C ZINC000122670033 324053110 /nfs/dbraw/zinc/05/31/10/324053110.db2.gz XHBGTMXSLZNPBU-VXGBXAGGSA-N 1 0 249.423 3.900 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)C(C)(C)C ZINC000122670283 324053251 /nfs/dbraw/zinc/05/32/51/324053251.db2.gz XHBGTMXSLZNPBU-RYUDHWBXSA-N 1 0 249.423 3.900 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C(C)(C)C ZINC000122670563 324053752 /nfs/dbraw/zinc/05/37/52/324053752.db2.gz XHBGTMXSLZNPBU-NEPJUHHUSA-N 1 0 249.423 3.900 20 0 BHADRO COCCCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000122683992 324053779 /nfs/dbraw/zinc/05/37/79/324053779.db2.gz XKPMGJLZZJZYDJ-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000122684183 324053523 /nfs/dbraw/zinc/05/35/23/324053523.db2.gz XKPMGJLZZJZYDJ-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000122684413 324053770 /nfs/dbraw/zinc/05/37/70/324053770.db2.gz XKPMGJLZZJZYDJ-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000122684647 324053655 /nfs/dbraw/zinc/05/36/55/324053655.db2.gz XKPMGJLZZJZYDJ-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000122686454 324053690 /nfs/dbraw/zinc/05/36/90/324053690.db2.gz XUMFFIYHYCQZDQ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000122686637 324053150 /nfs/dbraw/zinc/05/31/50/324053150.db2.gz XUMFFIYHYCQZDQ-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)c1cccs1 ZINC000122690667 171518985 /nfs/dbraw/zinc/51/89/85/171518985.db2.gz XGHUCDDFJRUNGZ-LBPRGKRZSA-N 1 0 241.400 3.606 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)c1cccs1 ZINC000122690899 387578072 /nfs/dbraw/zinc/57/80/72/387578072.db2.gz XGHUCDDFJRUNGZ-GFCCVEGCSA-N 1 0 241.400 3.606 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1sccc1C ZINC000122696712 174184024 /nfs/dbraw/zinc/18/40/24/174184024.db2.gz VMLLWQRFFBRCDQ-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1sccc1C ZINC000122696931 174183032 /nfs/dbraw/zinc/18/30/32/174183032.db2.gz VMLLWQRFFBRCDQ-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccs2)CCC1 ZINC000122715238 324054562 /nfs/dbraw/zinc/05/45/62/324054562.db2.gz KKQDTCSDOFPGSM-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccs2)CCC1 ZINC000122715467 324054298 /nfs/dbraw/zinc/05/42/98/324054298.db2.gz KKQDTCSDOFPGSM-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CC2CCC2)CCC1 ZINC000122718018 490163135 /nfs/dbraw/zinc/16/31/35/490163135.db2.gz AOQMVYNOYKBDQN-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C)CC2CCC2)CCC1 ZINC000122718281 490245029 /nfs/dbraw/zinc/24/50/29/490245029.db2.gz AOQMVYNOYKBDQN-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO COCCCCC[NH2+]C1CCCCCCC1 ZINC000122722559 589624979 /nfs/dbraw/zinc/62/49/79/589624979.db2.gz GBBCRIVSRSSSKO-UHFFFAOYSA-N 1 0 227.392 3.506 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccco2)CCC1 ZINC000122723285 324054378 /nfs/dbraw/zinc/05/43/78/324054378.db2.gz VJTJRRKHLLARMW-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccco2)CCC1 ZINC000122723511 324054348 /nfs/dbraw/zinc/05/43/48/324054348.db2.gz VJTJRRKHLLARMW-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccsc2)CCC1 ZINC000122728883 387591898 /nfs/dbraw/zinc/59/18/98/387591898.db2.gz UFHIMXWRZNLXKL-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccsc2)CCC1 ZINC000122729138 168482350 /nfs/dbraw/zinc/48/23/50/168482350.db2.gz UFHIMXWRZNLXKL-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CCCC2)CCC1 ZINC000122730254 323101070 /nfs/dbraw/zinc/10/10/70/323101070.db2.gz KFJWLDKJGOEVBL-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CCCC2)CCC1 ZINC000122730523 324055296 /nfs/dbraw/zinc/05/52/96/324055296.db2.gz KFJWLDKJGOEVBL-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C(C)C)C2CC2)CCC1 ZINC000122731575 324055729 /nfs/dbraw/zinc/05/57/29/324055729.db2.gz CVAANFZWLAUVIZ-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@@H](C(C)C)C2CC2)CCC1 ZINC000122731765 324055498 /nfs/dbraw/zinc/05/54/98/324055498.db2.gz CVAANFZWLAUVIZ-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)o2)CCC1 ZINC000122731981 387593338 /nfs/dbraw/zinc/59/33/38/387593338.db2.gz QMPUKDCUFAEOPT-LBPRGKRZSA-N 1 0 221.344 3.819 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)o2)CCC1 ZINC000122732191 387592650 /nfs/dbraw/zinc/59/26/50/387592650.db2.gz QMPUKDCUFAEOPT-GFCCVEGCSA-N 1 0 221.344 3.819 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccoc2)CCC1 ZINC000122733787 324055389 /nfs/dbraw/zinc/05/53/89/324055389.db2.gz DVKSGDTXTUZAOR-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccoc2)CCC1 ZINC000122733966 324055450 /nfs/dbraw/zinc/05/54/50/324055450.db2.gz DVKSGDTXTUZAOR-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO C[C@H]1CC([NH2+]C2CCCCCCC2)C[C@H](C)O1 ZINC000122738039 589625509 /nfs/dbraw/zinc/62/55/09/589625509.db2.gz RBRMAYQOEKFYJY-STQMWFEESA-N 1 0 239.403 3.645 20 0 BHADRO C[C@@H]1CC([NH2+]C2CCCCCCC2)C[C@@H](C)O1 ZINC000122738272 589625787 /nfs/dbraw/zinc/62/57/87/589625787.db2.gz RBRMAYQOEKFYJY-CHWSQXEVSA-N 1 0 239.403 3.645 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000122745250 324055573 /nfs/dbraw/zinc/05/55/73/324055573.db2.gz RFIBHRAZKVUYOC-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000122745461 324055206 /nfs/dbraw/zinc/05/52/06/324055206.db2.gz RFIBHRAZKVUYOC-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000122758391 324052652 /nfs/dbraw/zinc/05/26/52/324052652.db2.gz KGZZWQXRMXZRCC-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000122758631 324052627 /nfs/dbraw/zinc/05/26/27/324052627.db2.gz KGZZWQXRMXZRCC-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000122758885 324052120 /nfs/dbraw/zinc/05/21/20/324052120.db2.gz KGZZWQXRMXZRCC-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000122759081 324052353 /nfs/dbraw/zinc/05/23/53/324052353.db2.gz KGZZWQXRMXZRCC-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CSCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122777421 344973925 /nfs/dbraw/zinc/97/39/25/344973925.db2.gz KQLCKEUBLFHLDH-KBPBESRZSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122777577 363577027 /nfs/dbraw/zinc/57/70/27/363577027.db2.gz KQLCKEUBLFHLDH-KGLIPLIRSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122777734 363577273 /nfs/dbraw/zinc/57/72/73/363577273.db2.gz KQLCKEUBLFHLDH-UONOGXRCSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122777949 363576913 /nfs/dbraw/zinc/57/69/13/363576913.db2.gz KQLCKEUBLFHLDH-ZIAGYGMSSA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)C1CCCCC1 ZINC000122786676 324057209 /nfs/dbraw/zinc/05/72/09/324057209.db2.gz BRDQXKYMQMNOMS-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)C1CCCCC1 ZINC000122786844 324057546 /nfs/dbraw/zinc/05/75/46/324057546.db2.gz BRDQXKYMQMNOMS-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000122787950 343160967 /nfs/dbraw/zinc/16/09/67/343160967.db2.gz GISXEVWXZKVEGN-MCIONIFRSA-N 1 0 247.382 3.602 20 0 BHADRO COCCCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000122796787 324058714 /nfs/dbraw/zinc/05/87/14/324058714.db2.gz GNZGYHZJLCYZIK-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000122796949 324058603 /nfs/dbraw/zinc/05/86/03/324058603.db2.gz GNZGYHZJLCYZIK-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000122797086 324058167 /nfs/dbraw/zinc/05/81/67/324058167.db2.gz GNZGYHZJLCYZIK-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000122797250 324058514 /nfs/dbraw/zinc/05/85/14/324058514.db2.gz GNZGYHZJLCYZIK-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000122798896 343160984 /nfs/dbraw/zinc/16/09/84/343160984.db2.gz VPBHXYMOARSIRT-IHRRRGAJSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000122799035 343160972 /nfs/dbraw/zinc/16/09/72/343160972.db2.gz VPBHXYMOARSIRT-BFHYXJOUSA-N 1 0 241.419 3.747 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000122806541 324058272 /nfs/dbraw/zinc/05/82/72/324058272.db2.gz QJHZIRBYDYJFJF-MJBXVCDLSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)[C@@H](C)OC ZINC000122806970 324058606 /nfs/dbraw/zinc/05/86/06/324058606.db2.gz QJHZIRBYDYJFJF-MCIONIFRSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(F)cc1C ZINC000122809442 324058348 /nfs/dbraw/zinc/05/83/48/324058348.db2.gz URUUWPILSOSSEM-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CCC(CC)C[NH2+]C/C=C/c1ccccc1 ZINC000122810639 324058767 /nfs/dbraw/zinc/05/87/67/324058767.db2.gz XLHXMUUWDYEORZ-DHZHZOJOSA-N 1 0 217.356 3.726 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)ccc1C ZINC000122812500 324058333 /nfs/dbraw/zinc/05/83/33/324058333.db2.gz ZXPHBXLOZHQFAY-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC1CCC1 ZINC000122828159 589635213 /nfs/dbraw/zinc/63/52/13/589635213.db2.gz JEEHVSPRCONBKN-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC1CCC1 ZINC000122828347 589635779 /nfs/dbraw/zinc/63/57/79/589635779.db2.gz JEEHVSPRCONBKN-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]CCC1CCC1 ZINC000122829495 589635943 /nfs/dbraw/zinc/63/59/43/589635943.db2.gz AMVRZPJLQVHGPP-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]CCC1CCC1 ZINC000122829707 589635946 /nfs/dbraw/zinc/63/59/46/589635946.db2.gz AMVRZPJLQVHGPP-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cc(F)ccc1F ZINC000122833052 490178274 /nfs/dbraw/zinc/17/82/74/490178274.db2.gz NNSBHHYUVQOAIS-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cc(F)ccc1F ZINC000122833287 490484874 /nfs/dbraw/zinc/48/48/74/490484874.db2.gz NNSBHHYUVQOAIS-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc(F)c(F)c1 ZINC000122835367 490177964 /nfs/dbraw/zinc/17/79/64/490177964.db2.gz HHTNOKVEPSQXSG-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(F)c(F)c1 ZINC000122835598 490178682 /nfs/dbraw/zinc/17/86/82/490178682.db2.gz HHTNOKVEPSQXSG-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc(F)cc1F ZINC000122835831 490178254 /nfs/dbraw/zinc/17/82/54/490178254.db2.gz SAXPSBNHPVTOGR-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(F)cc1F ZINC000122836045 490178570 /nfs/dbraw/zinc/17/85/70/490178570.db2.gz SAXPSBNHPVTOGR-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1c(F)cccc1F ZINC000122837687 589636923 /nfs/dbraw/zinc/63/69/23/589636923.db2.gz JWGMVWSJHLSDFT-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1F ZINC000122837892 589636578 /nfs/dbraw/zinc/63/65/78/589636578.db2.gz JWGMVWSJHLSDFT-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CCSCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000122841550 387607228 /nfs/dbraw/zinc/60/72/28/387607228.db2.gz XYZCNOPVOVFYJT-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CCSCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000122841736 387607696 /nfs/dbraw/zinc/60/76/96/387607696.db2.gz XYZCNOPVOVFYJT-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000122841906 385818772 /nfs/dbraw/zinc/81/87/72/385818772.db2.gz YTQIZBXZRRKXBO-SNVBAGLBSA-N 1 0 226.389 3.510 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000122842126 385818390 /nfs/dbraw/zinc/81/83/90/385818390.db2.gz YTQIZBXZRRKXBO-JTQLQIEISA-N 1 0 226.389 3.510 20 0 BHADRO CC[C@@H](c1ccccc1)N(C)Cc1cc(C)on1 ZINC000122858250 344978269 /nfs/dbraw/zinc/97/82/69/344978269.db2.gz HLFLFCZDYIDXER-HNNXBMFYSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@H](c1ccccc1)N(C)Cc1cc(C)on1 ZINC000122858422 384515833 /nfs/dbraw/zinc/51/58/33/384515833.db2.gz HLFLFCZDYIDXER-OAHLLOKOSA-N 1 0 244.338 3.566 20 0 BHADRO CC1(C)[C@@H]([NH2+]CC2CC2)C[C@H]1c1ccccc1 ZINC000122863627 324056842 /nfs/dbraw/zinc/05/68/42/324056842.db2.gz ZPIVOBDVXMUOKH-GJZGRUSLSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1CC1 ZINC000122863886 324056753 /nfs/dbraw/zinc/05/67/53/324056753.db2.gz ZPIVOBDVXMUOKH-CABCVRRESA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)[C@H]([NH2+]CC2CC2)C[C@H]1c1ccccc1 ZINC000122864073 324056195 /nfs/dbraw/zinc/05/61/95/324056195.db2.gz ZPIVOBDVXMUOKH-LSDHHAIUSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)[C@H]([NH2+]CC2CC2)C[C@@H]1c1ccccc1 ZINC000122864300 324056667 /nfs/dbraw/zinc/05/66/67/324056667.db2.gz ZPIVOBDVXMUOKH-HUUCEWRRSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000122871116 490181404 /nfs/dbraw/zinc/18/14/04/490181404.db2.gz CVYVQFHTYZVUMC-ZBFHGGJFSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000122871339 490181056 /nfs/dbraw/zinc/18/10/56/490181056.db2.gz CVYVQFHTYZVUMC-HOCLYGCPSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000122871554 490181261 /nfs/dbraw/zinc/18/12/61/490181261.db2.gz CVYVQFHTYZVUMC-GDBMZVCRSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000122871755 490181304 /nfs/dbraw/zinc/18/13/04/490181304.db2.gz CVYVQFHTYZVUMC-GOEBONIOSA-N 1 0 231.383 3.788 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000122874638 324056181 /nfs/dbraw/zinc/05/61/81/324056181.db2.gz PXTLUCUPDJUWOQ-UHFFFAOYSA-N 1 0 243.350 3.768 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(F)cc1CSC ZINC000122876323 324056859 /nfs/dbraw/zinc/05/68/59/324056859.db2.gz WUXRWPDZZFEJLA-SNVBAGLBSA-N 1 0 241.375 3.577 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(F)cc1CSC ZINC000122876552 324056879 /nfs/dbraw/zinc/05/68/79/324056879.db2.gz WUXRWPDZZFEJLA-JTQLQIEISA-N 1 0 241.375 3.577 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccccc1 ZINC000122888244 344978852 /nfs/dbraw/zinc/97/88/52/344978852.db2.gz HNMAFNXAVHCXEU-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO C[N@@H+](Cc1cc2ccccc2s1)CC1CC1 ZINC000122898059 324060874 /nfs/dbraw/zinc/06/08/74/324060874.db2.gz AABYJQWRBQPFPG-UHFFFAOYSA-N 1 0 231.364 3.743 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000122898561 191073454 /nfs/dbraw/zinc/07/34/54/191073454.db2.gz BDXRSQCLTBJCIO-NSHDSACASA-N 1 0 238.400 3.676 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000122898727 191073327 /nfs/dbraw/zinc/07/33/27/191073327.db2.gz BDXRSQCLTBJCIO-LLVKDONJSA-N 1 0 238.400 3.676 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000122905186 324061970 /nfs/dbraw/zinc/06/19/70/324061970.db2.gz CVNNABNJALCLLF-UHFFFAOYSA-N 1 0 247.338 3.720 20 0 BHADRO COc1ccc2oc(C[NH2+]CCC(C)C)cc2c1 ZINC000122909273 324062035 /nfs/dbraw/zinc/06/20/35/324062035.db2.gz SKPMTQGTSYRCDF-UHFFFAOYSA-N 1 0 247.338 3.577 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000122917511 324063139 /nfs/dbraw/zinc/06/31/39/324063139.db2.gz XHSQDVHXNDOECB-STQMWFEESA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000122917704 324063062 /nfs/dbraw/zinc/06/30/62/324063062.db2.gz XHSQDVHXNDOECB-OLZOCXBDSA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000122918002 324062982 /nfs/dbraw/zinc/06/29/82/324062982.db2.gz XHSQDVHXNDOECB-QWHCGFSZSA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000122918187 324062730 /nfs/dbraw/zinc/06/27/30/324062730.db2.gz XHSQDVHXNDOECB-CHWSQXEVSA-N 1 0 227.417 3.607 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+](C)CC1CC1 ZINC000122920359 387615861 /nfs/dbraw/zinc/61/58/61/387615861.db2.gz ZBRRHJJHBDIZRD-UHFFFAOYSA-N 1 0 229.323 3.583 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCCS1 ZINC000122928173 324064730 /nfs/dbraw/zinc/06/47/30/324064730.db2.gz VEPUISAQMAECFM-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCCS1 ZINC000122928570 324064820 /nfs/dbraw/zinc/06/48/20/324064820.db2.gz VEPUISAQMAECFM-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@@H]1C ZINC000122935128 324065775 /nfs/dbraw/zinc/06/57/75/324065775.db2.gz JTOVSWUEXNRQQW-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1C ZINC000122935335 324065596 /nfs/dbraw/zinc/06/55/96/324065596.db2.gz JTOVSWUEXNRQQW-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)C1CCCCC1 ZINC000122936326 324065629 /nfs/dbraw/zinc/06/56/29/324065629.db2.gz OWKBYQDWUMPSSX-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)C1CCCCC1 ZINC000122936515 324065880 /nfs/dbraw/zinc/06/58/80/324065880.db2.gz OWKBYQDWUMPSSX-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)C1CCCCC1 ZINC000122936771 324066026 /nfs/dbraw/zinc/06/60/26/324066026.db2.gz OWKBYQDWUMPSSX-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)C1CCCCC1 ZINC000122936980 322995869 /nfs/dbraw/zinc/99/58/69/322995869.db2.gz OWKBYQDWUMPSSX-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000122938914 589644639 /nfs/dbraw/zinc/64/46/39/589644639.db2.gz WDDKDTTXVTUBTL-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000122938942 589644704 /nfs/dbraw/zinc/64/47/04/589644704.db2.gz QSFHSANDXXUDBB-BFHYXJOUSA-N 1 0 241.419 3.891 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000122939081 589644890 /nfs/dbraw/zinc/64/48/90/589644890.db2.gz WDDKDTTXVTUBTL-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@@H](C)C(C)C ZINC000122943705 324066610 /nfs/dbraw/zinc/06/66/10/324066610.db2.gz RPFDYQKZQAQWEU-LBPRGKRZSA-N 1 0 237.412 3.851 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@H](C)C(C)C ZINC000122943926 324066700 /nfs/dbraw/zinc/06/67/00/324066700.db2.gz RPFDYQKZQAQWEU-GFCCVEGCSA-N 1 0 237.412 3.851 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCC2(CCC2)C1 ZINC000122944279 176020916 /nfs/dbraw/zinc/02/09/16/176020916.db2.gz DQMWYMFPRZYTAI-ZDUSSCGKSA-N 1 0 215.340 3.624 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCC2(CCC2)C1 ZINC000122944533 177038567 /nfs/dbraw/zinc/03/85/67/177038567.db2.gz DQMWYMFPRZYTAI-CYBMUJFWSA-N 1 0 215.340 3.624 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)C2CC2)CCC1 ZINC000122946493 324066770 /nfs/dbraw/zinc/06/67/70/324066770.db2.gz JMZPPTUNVAYFJD-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)C2CC2)CCC1 ZINC000122946667 324066640 /nfs/dbraw/zinc/06/66/40/324066640.db2.gz JMZPPTUNVAYFJD-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCc1ccccc1 ZINC000122961563 176031663 /nfs/dbraw/zinc/03/16/63/176031663.db2.gz ODJNEJSQCDDQTN-ZDUSSCGKSA-N 1 0 229.323 3.515 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCc1ccccc1 ZINC000122961717 177048093 /nfs/dbraw/zinc/04/80/93/177048093.db2.gz ODJNEJSQCDDQTN-CYBMUJFWSA-N 1 0 229.323 3.515 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122962172 324067637 /nfs/dbraw/zinc/06/76/37/324067637.db2.gz YYJIQERKHYRNFM-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122962356 324069369 /nfs/dbraw/zinc/06/93/69/324069369.db2.gz YYJIQERKHYRNFM-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122962591 324069289 /nfs/dbraw/zinc/06/92/89/324069289.db2.gz YYJIQERKHYRNFM-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122962752 324069576 /nfs/dbraw/zinc/06/95/76/324069576.db2.gz YYJIQERKHYRNFM-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000122967621 324070709 /nfs/dbraw/zinc/07/07/09/324070709.db2.gz VPUPTLSKOIGXTF-MCIONIFRSA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122978421 324069479 /nfs/dbraw/zinc/06/94/79/324069479.db2.gz ZIWKWRCPGLSKEA-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000122978646 324069787 /nfs/dbraw/zinc/06/97/87/324069787.db2.gz ZIWKWRCPGLSKEA-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC1CCC1 ZINC000123002498 490191088 /nfs/dbraw/zinc/19/10/88/490191088.db2.gz KKCVNCIRYUXUBY-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC1CCC1 ZINC000123002827 490190989 /nfs/dbraw/zinc/19/09/89/490190989.db2.gz KKCVNCIRYUXUBY-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000123004287 343161622 /nfs/dbraw/zinc/16/16/22/343161622.db2.gz AUQYHBOZZMZWPG-IWMBGFJWSA-N 1 0 239.403 3.501 20 0 BHADRO CCC1CCC([NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000123004471 343161386 /nfs/dbraw/zinc/16/13/86/343161386.db2.gz AUQYHBOZZMZWPG-FEPKRQSRSA-N 1 0 239.403 3.501 20 0 BHADRO c1ccc2c(C[NH2+]CCC3CCC3)ccnc2c1 ZINC000123005174 645751482 /nfs/dbraw/zinc/75/14/82/645751482.db2.gz QVHLYDBXSGCYSM-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123005499 175292514 /nfs/dbraw/zinc/29/25/14/175292514.db2.gz DGDRCEHRBUMGMR-ZDUSSCGKSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123005716 175287050 /nfs/dbraw/zinc/28/70/50/175287050.db2.gz DGDRCEHRBUMGMR-CYBMUJFWSA-N 1 0 245.366 3.632 20 0 BHADRO CC(C)c1nc(C[N@H+]2[C@H](C)CC[C@@H]2C)cs1 ZINC000123006567 387634522 /nfs/dbraw/zinc/63/45/22/387634522.db2.gz KFULJMIULOMVJM-PHIMTYICSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)cs1 ZINC000123006773 387634564 /nfs/dbraw/zinc/63/45/64/387634564.db2.gz KFULJMIULOMVJM-QWRGUYRKSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1nc(C[NH+]2[C@H](C)CC[C@H]2C)cs1 ZINC000123007000 387633742 /nfs/dbraw/zinc/63/37/42/387633742.db2.gz KFULJMIULOMVJM-GHMZBOCLSA-N 1 0 238.400 3.639 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]CCC2CCC2)c1 ZINC000123008265 589651533 /nfs/dbraw/zinc/65/15/33/589651533.db2.gz CVYFNGVWQMISMX-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000123009990 324073691 /nfs/dbraw/zinc/07/36/91/324073691.db2.gz ZZXKEHPBBMTJEF-LOWVWBTDSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CCC2CCC2)c1 ZINC000123010275 589651479 /nfs/dbraw/zinc/65/14/79/589651479.db2.gz APTRYDJREYYKTQ-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000123010445 323101484 /nfs/dbraw/zinc/10/14/84/323101484.db2.gz ZZXKEHPBBMTJEF-DMDPSCGWSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CCC1CCC1 ZINC000123011883 589651684 /nfs/dbraw/zinc/65/16/84/589651684.db2.gz PVDLSCLAEAQRKM-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC2CCC2)o1 ZINC000123012864 589651802 /nfs/dbraw/zinc/65/18/02/589651802.db2.gz JWJVWMCFOJFBJB-RISCZKNCSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC2CCC2)o1 ZINC000123013109 589651717 /nfs/dbraw/zinc/65/17/17/589651717.db2.gz JWJVWMCFOJFBJB-FZMZJTMJSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC2CCC2)o1 ZINC000123013257 589651826 /nfs/dbraw/zinc/65/18/26/589651826.db2.gz JWJVWMCFOJFBJB-BXUZGUMPSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC2CCC2)o1 ZINC000123013472 589651645 /nfs/dbraw/zinc/65/16/45/589651645.db2.gz JWJVWMCFOJFBJB-SMDDNHRTSA-N 1 0 233.355 3.683 20 0 BHADRO Cc1cnc(C[NH2+][C@@H](C)CCCC(C)C)s1 ZINC000123013880 385850754 /nfs/dbraw/zinc/85/07/54/385850754.db2.gz GTDGHTLRMKJVJH-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1cnc(C[NH2+][C@H](C)CCCC(C)C)s1 ZINC000123014113 385850970 /nfs/dbraw/zinc/85/09/70/385850970.db2.gz GTDGHTLRMKJVJH-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000123014125 589651946 /nfs/dbraw/zinc/65/19/46/589651946.db2.gz RUARYRNWZOGJDC-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2cccnc21 ZINC000123014252 177187340 /nfs/dbraw/zinc/18/73/40/177187340.db2.gz HQIQLTGCYHETDJ-BETUJISGSA-N 1 0 240.350 3.608 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000123014363 343161505 /nfs/dbraw/zinc/16/15/05/343161505.db2.gz YQUBKZRACBXYRO-LLVKDONJSA-N 1 0 226.389 3.510 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc2cccnc21 ZINC000123014465 177200008 /nfs/dbraw/zinc/20/00/08/177200008.db2.gz HQIQLTGCYHETDJ-STQMWFEESA-N 1 0 240.350 3.608 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ncc(C)s1 ZINC000123014555 343161299 /nfs/dbraw/zinc/16/12/99/343161299.db2.gz YQUBKZRACBXYRO-NSHDSACASA-N 1 0 226.389 3.510 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc2cccnc21 ZINC000123014607 176199534 /nfs/dbraw/zinc/19/95/34/176199534.db2.gz HQIQLTGCYHETDJ-CHWSQXEVSA-N 1 0 240.350 3.608 20 0 BHADRO c1cnc2ccc(C[NH2+]CCC3CCC3)cc2c1 ZINC000123017314 589652171 /nfs/dbraw/zinc/65/21/71/589652171.db2.gz HDZUTJKIOJEEDR-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO c1c2ccccc2oc1C[NH2+]CCC1CCC1 ZINC000123018715 589652139 /nfs/dbraw/zinc/65/21/39/589652139.db2.gz JKQOYAJJSZEASK-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCc1ccc(C[NH2+]CCC(C)(C)C)s1 ZINC000123026718 324076534 /nfs/dbraw/zinc/07/65/34/324076534.db2.gz JWCHTXXPMXEIMY-UHFFFAOYSA-N 1 0 225.401 3.836 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000123029361 589652982 /nfs/dbraw/zinc/65/29/82/589652982.db2.gz BDWFWXNCGDHVBK-LLVKDONJSA-N 1 0 240.416 3.900 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000123029630 589652884 /nfs/dbraw/zinc/65/28/84/589652884.db2.gz BDWFWXNCGDHVBK-NSHDSACASA-N 1 0 240.416 3.900 20 0 BHADRO CCc1ccc(C[NH2+]CC(CC)CC)s1 ZINC000123030881 324076383 /nfs/dbraw/zinc/07/63/83/324076383.db2.gz QBTDDWHGWYIMOK-UHFFFAOYSA-N 1 0 225.401 3.836 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000123033753 387639473 /nfs/dbraw/zinc/63/94/73/387639473.db2.gz FABARSIVWGEFGH-IOASZLSFSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000123038109 324078147 /nfs/dbraw/zinc/07/81/47/324078147.db2.gz FQQFNRJXQAIMNT-UPJWGTAASA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C2CC=CC2)cc1 ZINC000123039492 490192053 /nfs/dbraw/zinc/19/20/53/490192053.db2.gz MWBYZIFCSJYFRX-UHFFFAOYSA-N 1 0 229.367 3.661 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCCC2(C)C)s1 ZINC000123050922 387642085 /nfs/dbraw/zinc/64/20/85/387642085.db2.gz GCEXEZKRDGHKCE-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCCC2(C)C)s1 ZINC000123051144 387640717 /nfs/dbraw/zinc/64/07/17/387640717.db2.gz GCEXEZKRDGHKCE-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000123055427 324081776 /nfs/dbraw/zinc/08/17/76/324081776.db2.gz UAQPDUONWSXYSA-KBPBESRZSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000123055667 324081720 /nfs/dbraw/zinc/08/17/20/324081720.db2.gz UAQPDUONWSXYSA-KGLIPLIRSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000123055900 322996147 /nfs/dbraw/zinc/99/61/47/322996147.db2.gz UAQPDUONWSXYSA-UONOGXRCSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000123056148 324081715 /nfs/dbraw/zinc/08/17/15/324081715.db2.gz UAQPDUONWSXYSA-ZIAGYGMSSA-N 1 0 241.444 3.997 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C)cc1F ZINC000123056192 324081796 /nfs/dbraw/zinc/08/17/96/324081796.db2.gz NMPRXIYJEPVQQK-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000123059499 387641289 /nfs/dbraw/zinc/64/12/89/387641289.db2.gz FBZNSFFHMNKZDL-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000123059721 387641795 /nfs/dbraw/zinc/64/17/95/387641795.db2.gz FBZNSFFHMNKZDL-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccco1 ZINC000123060554 176032619 /nfs/dbraw/zinc/03/26/19/176032619.db2.gz UIKYBJVLPNXIPZ-JTQLQIEISA-N 1 0 221.325 3.534 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1ccco1 ZINC000123060773 177048589 /nfs/dbraw/zinc/04/85/89/177048589.db2.gz UIKYBJVLPNXIPZ-SNVBAGLBSA-N 1 0 221.325 3.534 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]C1CC=CC1 ZINC000123106068 490198456 /nfs/dbraw/zinc/19/84/56/490198456.db2.gz ULLFLRBPUMGEOE-AWEZNQCLSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]C1CC=CC1 ZINC000123106274 490198626 /nfs/dbraw/zinc/19/86/26/490198626.db2.gz ULLFLRBPUMGEOE-CQSZACIVSA-N 1 0 233.742 3.636 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@@H](C)C1CCCCC1 ZINC000123106686 490198470 /nfs/dbraw/zinc/19/84/70/490198470.db2.gz NAQRYXBRXOXPFJ-CHWSQXEVSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@H](C)C1CCCCC1 ZINC000123106941 490198931 /nfs/dbraw/zinc/19/89/31/490198931.db2.gz NAQRYXBRXOXPFJ-QWHCGFSZSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@@H]1CC([NH2+][C@@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000123107028 343161757 /nfs/dbraw/zinc/16/17/57/343161757.db2.gz GFLUSEGLQDLAKW-YRGRVCCFSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@@H](C)C1CCCCC1 ZINC000123107157 490198920 /nfs/dbraw/zinc/19/89/20/490198920.db2.gz NAQRYXBRXOXPFJ-OLZOCXBDSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]C1CC=CC1)C1CCCCC1 ZINC000123107346 490198729 /nfs/dbraw/zinc/19/87/29/490198729.db2.gz NAQRYXBRXOXPFJ-STQMWFEESA-N 1 0 221.388 3.900 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000123123972 324085101 /nfs/dbraw/zinc/08/51/01/324085101.db2.gz VPUPTLSKOIGXTF-IHRRRGAJSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000123127721 324084797 /nfs/dbraw/zinc/08/47/97/324084797.db2.gz ISFORKDEBZXGMS-IHRRRGAJSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000123131539 343161311 /nfs/dbraw/zinc/16/13/11/343161311.db2.gz GISXEVWXZKVEGN-IHRRRGAJSA-N 1 0 247.382 3.602 20 0 BHADRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000123134900 324086473 /nfs/dbraw/zinc/08/64/73/324086473.db2.gz FQQFNRJXQAIMNT-JHJVBQTASA-N 1 0 239.403 3.501 20 0 BHADRO CCC1(C[NH2+]C(C2CC2)C2CC2)CCCC1 ZINC000123136242 324086232 /nfs/dbraw/zinc/08/62/32/324086232.db2.gz BEKJDWATETYVNN-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cncs2)CCCC1 ZINC000123137857 324086076 /nfs/dbraw/zinc/08/60/76/324086076.db2.gz ADJHGOCNHIZNFB-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cncs2)CCCC1 ZINC000123138080 324086467 /nfs/dbraw/zinc/08/64/67/324086467.db2.gz ADJHGOCNHIZNFB-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CC2CC2)CCCC1 ZINC000123138612 324085855 /nfs/dbraw/zinc/08/58/55/324085855.db2.gz SJFWFUWPVZXCPC-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C)CC2CC2)CCCC1 ZINC000123138868 324086019 /nfs/dbraw/zinc/08/60/19/324086019.db2.gz SJFWFUWPVZXCPC-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccco2)CCCC1 ZINC000123139092 324086135 /nfs/dbraw/zinc/08/61/35/324086135.db2.gz RAOOQAYHRHVIJW-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccco2)CCCC1 ZINC000123139347 324085735 /nfs/dbraw/zinc/08/57/35/324085735.db2.gz RAOOQAYHRHVIJW-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2(C)CC2)CCCC1 ZINC000123141760 324087306 /nfs/dbraw/zinc/08/73/06/324087306.db2.gz XDWNYVAMFMPUNO-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2(C)CC2)CCCC1 ZINC000123141986 324087292 /nfs/dbraw/zinc/08/72/92/324087292.db2.gz XDWNYVAMFMPUNO-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CCCC1)C1CC1 ZINC000123143134 324083939 /nfs/dbraw/zinc/08/39/39/324083939.db2.gz WLPOQWMSVVTOPL-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CC([NH2+][C@@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000123143318 324084283 /nfs/dbraw/zinc/08/42/83/324084283.db2.gz XTMVNNZJFWJKQU-JHJVBQTASA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CCCC1)C1CC1 ZINC000123143361 324084087 /nfs/dbraw/zinc/08/40/87/324084087.db2.gz WLPOQWMSVVTOPL-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccoc2)CCCC1 ZINC000123144020 324084027 /nfs/dbraw/zinc/08/40/27/324084027.db2.gz ISUCXAAUMVYNPJ-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccoc2)CCCC1 ZINC000123144248 324084296 /nfs/dbraw/zinc/08/42/96/324084296.db2.gz ISUCXAAUMVYNPJ-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]CCC1CC1 ZINC000123158800 324093054 /nfs/dbraw/zinc/09/30/54/324093054.db2.gz UWJAVVHVFGAERO-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]CC1CCC1 ZINC000123160449 324088181 /nfs/dbraw/zinc/08/81/81/324088181.db2.gz VMPMVIIUNJTZGT-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000123193280 324096656 /nfs/dbraw/zinc/09/66/56/324096656.db2.gz WGKNYCBUNRAOOO-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(F)cc1F ZINC000123193546 322996373 /nfs/dbraw/zinc/99/63/73/322996373.db2.gz GGMXBNOTZNFSTH-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(CC)s1 ZINC000123195256 324096495 /nfs/dbraw/zinc/09/64/95/324096495.db2.gz IKWMOXRMERVUAB-UHFFFAOYSA-N 1 0 225.401 3.979 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(C)c1C ZINC000123195516 324096947 /nfs/dbraw/zinc/09/69/47/324096947.db2.gz CYFROWVPEOPGBV-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000123196230 322996463 /nfs/dbraw/zinc/99/64/63/322996463.db2.gz ZYXAZYWAFXVUTK-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000123196462 324096637 /nfs/dbraw/zinc/09/66/37/324096637.db2.gz IVOKAIXQNOUBKM-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(CC)cc1 ZINC000123196911 324096866 /nfs/dbraw/zinc/09/68/66/324096866.db2.gz VRMVXMFPQJGOFG-UHFFFAOYSA-N 1 0 219.372 3.917 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)cc1C ZINC000123198758 324096904 /nfs/dbraw/zinc/09/69/04/324096904.db2.gz VPCYRJSCOKRKRK-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(Cl)o1 ZINC000123199521 324096973 /nfs/dbraw/zinc/09/69/73/324096973.db2.gz BSXZAZGWXUJRQA-UHFFFAOYSA-N 1 0 215.724 3.601 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000123210769 324098943 /nfs/dbraw/zinc/09/89/43/324098943.db2.gz BZPBIWGAKAMERC-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000123210973 324098745 /nfs/dbraw/zinc/09/87/45/324098745.db2.gz BZPBIWGAKAMERC-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)c1ccccc1C ZINC000123213405 384539126 /nfs/dbraw/zinc/53/91/26/384539126.db2.gz HXDULIXDJVRYGL-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)c1ccccc1C ZINC000123213714 384540868 /nfs/dbraw/zinc/54/08/68/384540868.db2.gz HXDULIXDJVRYGL-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000123213986 324101862 /nfs/dbraw/zinc/10/18/62/324101862.db2.gz DGNDNGRGZWJSEB-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000123214231 324102044 /nfs/dbraw/zinc/10/20/44/324102044.db2.gz DGNDNGRGZWJSEB-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000123214446 324101973 /nfs/dbraw/zinc/10/19/73/324101973.db2.gz DGNDNGRGZWJSEB-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000123214706 324102031 /nfs/dbraw/zinc/10/20/31/324102031.db2.gz DGNDNGRGZWJSEB-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000123222755 324099920 /nfs/dbraw/zinc/09/99/20/324099920.db2.gz WSCRBGGUAXOZQJ-RISCZKNCSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000123223010 324099504 /nfs/dbraw/zinc/09/95/04/324099504.db2.gz WSCRBGGUAXOZQJ-FZMZJTMJSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000123223216 324099936 /nfs/dbraw/zinc/09/99/36/324099936.db2.gz WSCRBGGUAXOZQJ-BXUZGUMPSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000123223418 324099916 /nfs/dbraw/zinc/09/99/16/324099916.db2.gz WSCRBGGUAXOZQJ-SMDDNHRTSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC)c1 ZINC000123226930 324099762 /nfs/dbraw/zinc/09/97/62/324099762.db2.gz IDPIPUWSJJCGHP-CVEARBPZSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC)c1 ZINC000123227116 324099841 /nfs/dbraw/zinc/09/98/41/324099841.db2.gz IDPIPUWSJJCGHP-HOTGVXAUSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC000123227270 324099659 /nfs/dbraw/zinc/09/96/59/324099659.db2.gz IDPIPUWSJJCGHP-HZPDHXFCSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC000123227439 324099827 /nfs/dbraw/zinc/09/98/27/324099827.db2.gz IDPIPUWSJJCGHP-JKSUJKDBSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000123227681 343162223 /nfs/dbraw/zinc/16/22/23/343162223.db2.gz VSPLFPVAZWJRRI-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000123227889 343162401 /nfs/dbraw/zinc/16/24/01/343162401.db2.gz VSPLFPVAZWJRRI-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000123228081 343162220 /nfs/dbraw/zinc/16/22/20/343162220.db2.gz VSPLFPVAZWJRRI-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000123228247 343161970 /nfs/dbraw/zinc/16/19/70/343161970.db2.gz VSPLFPVAZWJRRI-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2CC)c1 ZINC000123228465 324099413 /nfs/dbraw/zinc/09/94/13/324099413.db2.gz CQTOPWNDAFAZSH-ZBFHGGJFSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2CC)c1 ZINC000123228672 324099464 /nfs/dbraw/zinc/09/94/64/324099464.db2.gz CQTOPWNDAFAZSH-HOCLYGCPSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2CC)c1 ZINC000123228813 324099787 /nfs/dbraw/zinc/09/97/87/324099787.db2.gz CQTOPWNDAFAZSH-GDBMZVCRSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CC)c1 ZINC000123229033 324099822 /nfs/dbraw/zinc/09/98/22/324099822.db2.gz CQTOPWNDAFAZSH-GOEBONIOSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CC1CCC1 ZINC000123230531 490205294 /nfs/dbraw/zinc/20/52/94/490205294.db2.gz GGSYOKMRDFPEAK-UHFFFAOYSA-N 1 0 229.323 3.631 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)C1CC1 ZINC000123233421 387669792 /nfs/dbraw/zinc/66/97/92/387669792.db2.gz RQJREPXYJZZLLW-JTQLQIEISA-N 1 0 229.323 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H](C)C1CC1 ZINC000123233631 180534359 /nfs/dbraw/zinc/53/43/59/180534359.db2.gz RQJREPXYJZZLLW-SNVBAGLBSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C)s1 ZINC000123245384 387669965 /nfs/dbraw/zinc/66/99/65/387669965.db2.gz GTSBHXUEGMWPPG-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)s1 ZINC000123245586 387670783 /nfs/dbraw/zinc/67/07/83/387670783.db2.gz GTSBHXUEGMWPPG-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@H]([NH2+]Cc1cnccc1C)c1cccs1 ZINC000123246292 387670973 /nfs/dbraw/zinc/67/09/73/387670973.db2.gz RNCIJIKTSWXLBZ-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnccc1C)c1cccs1 ZINC000123246497 357219360 /nfs/dbraw/zinc/21/93/60/357219360.db2.gz RNCIJIKTSWXLBZ-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CCCC1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000123246714 324103916 /nfs/dbraw/zinc/10/39/16/324103916.db2.gz QDIOHGQWKIFOBJ-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CC[N@H+](C/C(Cl)=C/Cl)C1CCCC1 ZINC000123261809 589683388 /nfs/dbraw/zinc/68/33/88/589683388.db2.gz WHBLBQCUVRFWNU-CLFYSBASSA-N 1 0 222.159 3.570 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CCC2(CCC2)C1 ZINC000123273880 176025328 /nfs/dbraw/zinc/02/53/28/176025328.db2.gz SLEOECDLQLSYSL-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CCC2(CCC2)C1 ZINC000123274087 177041584 /nfs/dbraw/zinc/04/15/84/177041584.db2.gz SLEOECDLQLSYSL-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CC(C)(C)C ZINC000123274194 343162131 /nfs/dbraw/zinc/16/21/31/343162131.db2.gz WORGEMAFSAYWCE-UHFFFAOYSA-N 1 0 231.339 3.877 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC1(C)C ZINC000123296450 387674191 /nfs/dbraw/zinc/67/41/91/387674191.db2.gz QUWICEXPUKNBEQ-CQSZACIVSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC1(C)C ZINC000123296698 387674089 /nfs/dbraw/zinc/67/40/89/387674089.db2.gz QUWICEXPUKNBEQ-AWEZNQCLSA-N 1 0 229.323 3.629 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000123304349 322996656 /nfs/dbraw/zinc/99/66/56/322996656.db2.gz PMGJJIMDXFHVLL-MELADBBJSA-N 1 0 239.428 3.607 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000123304772 324221424 /nfs/dbraw/zinc/22/14/24/324221424.db2.gz PMGJJIMDXFHVLL-BFHYXJOUSA-N 1 0 239.428 3.607 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CCC1CC1 ZINC000123339333 490221693 /nfs/dbraw/zinc/22/16/93/490221693.db2.gz XZURUJWXBFVAQB-UHFFFAOYSA-N 1 0 229.323 3.631 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000123339823 355370328 /nfs/dbraw/zinc/37/03/28/355370328.db2.gz OWASTLLITVEPND-QWRGUYRKSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000123340028 371067378 /nfs/dbraw/zinc/06/73/78/371067378.db2.gz OWASTLLITVEPND-MNOVXSKESA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1)C1CC1 ZINC000123340240 355524106 /nfs/dbraw/zinc/52/41/06/355524106.db2.gz OWASTLLITVEPND-WDEREUQCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000123340457 355734924 /nfs/dbraw/zinc/73/49/24/355734924.db2.gz OWASTLLITVEPND-GHMZBOCLSA-N 1 0 221.319 3.522 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC=CCC1 ZINC000123341001 387684216 /nfs/dbraw/zinc/68/42/16/387684216.db2.gz NIEUGBOMWNPZMT-ZDUSSCGKSA-N 1 0 241.334 3.940 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC=CCC1 ZINC000123341207 180534336 /nfs/dbraw/zinc/53/43/36/180534336.db2.gz NIEUGBOMWNPZMT-CYBMUJFWSA-N 1 0 241.334 3.940 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC000123342432 370933111 /nfs/dbraw/zinc/93/31/11/370933111.db2.gz CYYCPCOVJYWGDH-QWRGUYRKSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC000123342686 370933153 /nfs/dbraw/zinc/93/31/53/370933153.db2.gz CYYCPCOVJYWGDH-MNOVXSKESA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC000123342935 370934236 /nfs/dbraw/zinc/93/42/36/370934236.db2.gz CYYCPCOVJYWGDH-WDEREUQCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1F ZINC000123343168 370934461 /nfs/dbraw/zinc/93/44/61/370934461.db2.gz CYYCPCOVJYWGDH-GHMZBOCLSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000123343380 370935798 /nfs/dbraw/zinc/93/57/98/370935798.db2.gz KCRLYHPBBDVCLI-DOMZBBRYSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000123343638 370932993 /nfs/dbraw/zinc/93/29/93/370932993.db2.gz KCRLYHPBBDVCLI-IUODEOHRSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1 ZINC000123343875 370935424 /nfs/dbraw/zinc/93/54/24/370935424.db2.gz KCRLYHPBBDVCLI-WFASDCNBSA-N 1 0 217.356 3.773 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1 ZINC000123344143 370982296 /nfs/dbraw/zinc/98/22/96/370982296.db2.gz KCRLYHPBBDVCLI-SWLSCSKDSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccccc1 ZINC000123369093 589694038 /nfs/dbraw/zinc/69/40/38/589694038.db2.gz SRNPNGLOHVZADQ-VIFPVBQESA-N 1 0 249.301 3.590 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCF)c1 ZINC000123369331 324268768 /nfs/dbraw/zinc/26/87/68/324268768.db2.gz QBCIVSAAODDUCY-CYBMUJFWSA-N 1 0 223.335 3.656 20 0 BHADRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccccc1 ZINC000123369350 589694299 /nfs/dbraw/zinc/69/42/99/589694299.db2.gz SRNPNGLOHVZADQ-SECBINFHSA-N 1 0 249.301 3.590 20 0 BHADRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCF)c1 ZINC000123369551 324268632 /nfs/dbraw/zinc/26/86/32/324268632.db2.gz QBCIVSAAODDUCY-ZDUSSCGKSA-N 1 0 223.335 3.656 20 0 BHADRO C[C@@H](C[NH2+]CCSC(F)(F)F)C(C)(C)C ZINC000123414438 589702749 /nfs/dbraw/zinc/70/27/49/589702749.db2.gz BQFPTPSLOOZLAM-QMMMGPOBSA-N 1 0 243.338 3.511 20 0 BHADRO C[C@H](C[NH2+]CCSC(F)(F)F)C(C)(C)C ZINC000123414653 589702829 /nfs/dbraw/zinc/70/28/29/589702829.db2.gz BQFPTPSLOOZLAM-MRVPVSSYSA-N 1 0 243.338 3.511 20 0 BHADRO CCn1cc([C@H](C)[NH2+]CC2(CC)CCCC2)cn1 ZINC000123429462 172196471 /nfs/dbraw/zinc/19/64/71/172196471.db2.gz BNOWZGPEQWVJBO-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]CC2(CC)CCCC2)cn1 ZINC000123429670 172192432 /nfs/dbraw/zinc/19/24/32/172192432.db2.gz BNOWZGPEQWVJBO-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000123447113 324565653 /nfs/dbraw/zinc/56/56/53/324565653.db2.gz YJHAZMWIAHMWTL-GHMZBOCLSA-N 1 0 240.416 3.791 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000123447385 324565592 /nfs/dbraw/zinc/56/55/92/324565592.db2.gz YJHAZMWIAHMWTL-WDEREUQCSA-N 1 0 240.416 3.791 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000123447593 324566625 /nfs/dbraw/zinc/56/66/25/324566625.db2.gz YJHAZMWIAHMWTL-MNOVXSKESA-N 1 0 240.416 3.791 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000123447883 388642031 /nfs/dbraw/zinc/64/20/31/388642031.db2.gz YJHAZMWIAHMWTL-QWRGUYRKSA-N 1 0 240.416 3.791 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)C(C)C ZINC000123451604 324567885 /nfs/dbraw/zinc/56/78/85/324567885.db2.gz XVRHMCUXCKSIJE-NSHDSACASA-N 1 0 240.416 3.791 20 0 BHADRO CC(C)c1csc(C[NH2+][C@@H](C)C(C)(C)C)n1 ZINC000123453806 388643776 /nfs/dbraw/zinc/64/37/76/388643776.db2.gz DKYSKBXGTOMPAM-JTQLQIEISA-N 1 0 240.416 3.791 20 0 BHADRO CC(C)c1csc(C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000123454027 324568923 /nfs/dbraw/zinc/56/89/23/324568923.db2.gz DKYSKBXGTOMPAM-SNVBAGLBSA-N 1 0 240.416 3.791 20 0 BHADRO CC(C)c1csc(C[NH2+][C@@H](C)C2(C)CC2)n1 ZINC000123454254 398338295 /nfs/dbraw/zinc/33/82/95/398338295.db2.gz SCEGIFZVIIHVNN-JTQLQIEISA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1csc(C[NH2+][C@H](C)C2(C)CC2)n1 ZINC000123454438 324567620 /nfs/dbraw/zinc/56/76/20/324567620.db2.gz SCEGIFZVIIHVNN-SNVBAGLBSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)C1CC1 ZINC000123456413 324567194 /nfs/dbraw/zinc/56/71/94/324567194.db2.gz YHTBQXPDIHXKDW-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)C1CC1 ZINC000123456653 388642592 /nfs/dbraw/zinc/64/25/92/388642592.db2.gz YHTBQXPDIHXKDW-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000123487343 490238301 /nfs/dbraw/zinc/23/83/01/490238301.db2.gz BQPCTTNISAAUDF-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(CC)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000123487523 490238575 /nfs/dbraw/zinc/23/85/75/490238575.db2.gz BQPCTTNISAAUDF-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccccc1 ZINC000123492262 387702997 /nfs/dbraw/zinc/70/29/97/387702997.db2.gz JAFDRHQHPSRJRI-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccccc1 ZINC000123492498 169403526 /nfs/dbraw/zinc/40/35/26/169403526.db2.gz JAFDRHQHPSRJRI-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccccc1 ZINC000123492701 387702553 /nfs/dbraw/zinc/70/25/53/387702553.db2.gz JAFDRHQHPSRJRI-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccccc1 ZINC000123492977 387702616 /nfs/dbraw/zinc/70/26/16/387702616.db2.gz JAFDRHQHPSRJRI-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO C[N@H+](CCc1cccs1)Cc1cccc(F)c1 ZINC000123499394 342716352 /nfs/dbraw/zinc/71/63/52/342716352.db2.gz SHBSUMOAWMCJAU-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO CC[C@H]([NH2+]CC1CCCCC1)c1ccncc1 ZINC000123513544 387584990 /nfs/dbraw/zinc/58/49/90/387584990.db2.gz SLVOTERNIUQNSW-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCCC1)c1ccncc1 ZINC000123513770 170892586 /nfs/dbraw/zinc/89/25/86/170892586.db2.gz SLVOTERNIUQNSW-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000123541465 589748514 /nfs/dbraw/zinc/74/85/14/589748514.db2.gz GHYTWEGHSCLPHV-UHFFFAOYSA-N 1 0 241.762 3.571 20 0 BHADRO CCC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123561129 388655150 /nfs/dbraw/zinc/65/51/50/388655150.db2.gz MUTVPABFVLPDIU-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCC1 ZINC000123561387 348009873 /nfs/dbraw/zinc/00/98/73/348009873.db2.gz HGCFPYPJYPLEBO-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1C ZINC000123562266 324597904 /nfs/dbraw/zinc/59/79/04/324597904.db2.gz UCMHWKNAMZYLHP-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1C ZINC000123562704 388654688 /nfs/dbraw/zinc/65/46/88/388654688.db2.gz UCMHWKNAMZYLHP-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO FC(F)(F)CCC[NH2+]CCC1CCCCC1 ZINC000123577418 324597876 /nfs/dbraw/zinc/59/78/76/324597876.db2.gz HDFZLQQEVAPGEX-UHFFFAOYSA-N 1 0 237.309 3.889 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123585321 324598132 /nfs/dbraw/zinc/59/81/32/324598132.db2.gz GPKVHTYBIYDEFL-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123585553 322811813 /nfs/dbraw/zinc/81/18/13/322811813.db2.gz GPKVHTYBIYDEFL-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123585737 322812211 /nfs/dbraw/zinc/81/22/11/322812211.db2.gz GPKVHTYBIYDEFL-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123585984 384570111 /nfs/dbraw/zinc/57/01/11/384570111.db2.gz GPKVHTYBIYDEFL-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C)[C@@H]([NH2+]CCCF)C[C@H]1c1ccccc1 ZINC000123586518 358504286 /nfs/dbraw/zinc/50/42/86/358504286.db2.gz QPPRUUZCWLULBG-KBPBESRZSA-N 1 0 235.346 3.518 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCF ZINC000123586746 358503687 /nfs/dbraw/zinc/50/36/87/358503687.db2.gz QPPRUUZCWLULBG-KGLIPLIRSA-N 1 0 235.346 3.518 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCF)C[C@H]1c1ccccc1 ZINC000123586949 168009980 /nfs/dbraw/zinc/00/99/80/168009980.db2.gz QPPRUUZCWLULBG-UONOGXRCSA-N 1 0 235.346 3.518 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCF)C[C@@H]1c1ccccc1 ZINC000123587206 168005332 /nfs/dbraw/zinc/00/53/32/168005332.db2.gz QPPRUUZCWLULBG-ZIAGYGMSSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000123590275 384109801 /nfs/dbraw/zinc/10/98/01/384109801.db2.gz YNGUMLMIZFPFRQ-GHMZBOCLSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000123590511 324597985 /nfs/dbraw/zinc/59/79/85/324597985.db2.gz YNGUMLMIZFPFRQ-WDEREUQCSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCCC(F)(F)F ZINC000123590648 388654672 /nfs/dbraw/zinc/65/46/72/388654672.db2.gz YNGUMLMIZFPFRQ-MNOVXSKESA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CCCC(F)(F)F ZINC000123590807 324597869 /nfs/dbraw/zinc/59/78/69/324597869.db2.gz YNGUMLMIZFPFRQ-QWRGUYRKSA-N 1 0 237.309 3.745 20 0 BHADRO CC1CCC(C[NH2+]CCCC(F)(F)F)CC1 ZINC000123606454 168155634 /nfs/dbraw/zinc/15/56/34/168155634.db2.gz YALNXHWRRYRVPO-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000123608401 188257439 /nfs/dbraw/zinc/25/74/39/188257439.db2.gz AVYZTSYOGFXIOM-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000123608677 188084048 /nfs/dbraw/zinc/08/40/48/188084048.db2.gz AVYZTSYOGFXIOM-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000123612206 388656450 /nfs/dbraw/zinc/65/64/50/388656450.db2.gz GXIJYJQNVPLUBS-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000123612633 384371728 /nfs/dbraw/zinc/37/17/28/384371728.db2.gz GXIJYJQNVPLUBS-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C[C@@H]1C ZINC000123619492 322823151 /nfs/dbraw/zinc/82/31/51/322823151.db2.gz WGZOQYDWPSXUMW-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C[C@@H]1C ZINC000123619849 324598904 /nfs/dbraw/zinc/59/89/04/324598904.db2.gz WGZOQYDWPSXUMW-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccco1 ZINC000123623203 387588449 /nfs/dbraw/zinc/58/84/49/387588449.db2.gz LNOATWYDCGDOPY-UHFFFAOYSA-N 1 0 249.741 3.608 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123628230 411156525 /nfs/dbraw/zinc/15/65/25/411156525.db2.gz YHOXMDVMEVAINH-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123628422 410299511 /nfs/dbraw/zinc/29/95/11/410299511.db2.gz YHOXMDVMEVAINH-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123628621 410300238 /nfs/dbraw/zinc/30/02/38/410300238.db2.gz YHOXMDVMEVAINH-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123628839 410300371 /nfs/dbraw/zinc/30/03/71/410300371.db2.gz YHOXMDVMEVAINH-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC2(CCC2)C1 ZINC000123640437 343463086 /nfs/dbraw/zinc/46/30/86/343463086.db2.gz YMUUAJDTBZKTOA-XBXARRHUSA-N 1 0 227.351 3.576 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000123650136 388656407 /nfs/dbraw/zinc/65/64/07/388656407.db2.gz SKZJBOJIMNIHFI-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000123650395 388656373 /nfs/dbraw/zinc/65/63/73/388656373.db2.gz SKZJBOJIMNIHFI-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000123661330 387590507 /nfs/dbraw/zinc/59/05/07/387590507.db2.gz SKOGLZVCSCOFOT-HNNXBMFYSA-N 1 0 227.307 3.617 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000123661531 387590583 /nfs/dbraw/zinc/59/05/83/387590583.db2.gz SKOGLZVCSCOFOT-OAHLLOKOSA-N 1 0 227.307 3.617 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000123662590 387590199 /nfs/dbraw/zinc/59/01/99/387590199.db2.gz HZONBAQNTLZXAJ-OAHLLOKOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000123662796 387590184 /nfs/dbraw/zinc/59/01/84/387590184.db2.gz HZONBAQNTLZXAJ-HNNXBMFYSA-N 1 0 241.334 3.925 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000123667770 188365241 /nfs/dbraw/zinc/36/52/41/188365241.db2.gz FYIAWPUMEQCJSC-NSHDSACASA-N 1 0 238.400 3.676 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000123667950 385900320 /nfs/dbraw/zinc/90/03/20/385900320.db2.gz FYIAWPUMEQCJSC-LLVKDONJSA-N 1 0 238.400 3.676 20 0 BHADRO CCc1ccccc1NCc1nccn1C(C)C ZINC000123675596 488076247 /nfs/dbraw/zinc/07/62/47/488076247.db2.gz UQDICFJZVGSGKE-UHFFFAOYSA-N 1 0 243.354 3.639 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000123681094 490488424 /nfs/dbraw/zinc/48/84/24/490488424.db2.gz LFKQPLITFPSRNI-NSHDSACASA-N 1 0 211.374 3.787 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1cccs1 ZINC000123681346 490254828 /nfs/dbraw/zinc/25/48/28/490254828.db2.gz LFKQPLITFPSRNI-LLVKDONJSA-N 1 0 211.374 3.787 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000123719208 169372192 /nfs/dbraw/zinc/37/21/92/169372192.db2.gz RYIUGBKLLINNLL-ZWNOBZJWSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000123719438 385904034 /nfs/dbraw/zinc/90/40/34/385904034.db2.gz RYIUGBKLLINNLL-GXFFZTMASA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000123719695 169373043 /nfs/dbraw/zinc/37/30/43/169373043.db2.gz RYIUGBKLLINNLL-MFKMUULPSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cnc(C)s1 ZINC000123719910 385904416 /nfs/dbraw/zinc/90/44/16/385904416.db2.gz RYIUGBKLLINNLL-GWCFXTLKSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)CCC1CCCC1 ZINC000123750940 490260319 /nfs/dbraw/zinc/26/03/19/490260319.db2.gz MAXHFSYKFAGRAC-ZDUSSCGKSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)CCC1CCCC1 ZINC000123751176 490259751 /nfs/dbraw/zinc/25/97/51/490259751.db2.gz MAXHFSYKFAGRAC-CYBMUJFWSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000123840005 324604417 /nfs/dbraw/zinc/60/44/17/324604417.db2.gz BGNQIPMWYVPPFV-CYBMUJFWSA-N 1 0 246.398 3.713 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000123840242 324604101 /nfs/dbraw/zinc/60/41/01/324604101.db2.gz BGNQIPMWYVPPFV-ZDUSSCGKSA-N 1 0 246.398 3.713 20 0 BHADRO CC[N@H+](Cc1cc(C)nc2ccccc12)C1CC1 ZINC000123854629 345019282 /nfs/dbraw/zinc/01/92/82/345019282.db2.gz XEOFWBXPGFVHSK-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCCc3occc32)c1 ZINC000123896372 387598630 /nfs/dbraw/zinc/59/86/30/387598630.db2.gz YGKLCFMUKJYCCO-CYBMUJFWSA-N 1 0 247.363 3.551 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCCc3occc32)c1 ZINC000123896568 183515489 /nfs/dbraw/zinc/51/54/89/183515489.db2.gz YGKLCFMUKJYCCO-ZDUSSCGKSA-N 1 0 247.363 3.551 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@H+](CC1CC1)C1CC1 ZINC000123898797 387598199 /nfs/dbraw/zinc/59/81/99/387598199.db2.gz WJKWWAYFOFVSNY-INIZCTEOSA-N 1 0 227.351 3.548 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@H+](CC1CC1)C1CC1 ZINC000123899019 387597768 /nfs/dbraw/zinc/59/77/68/387597768.db2.gz WJKWWAYFOFVSNY-MRXNPFEDSA-N 1 0 227.351 3.548 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123901418 388658882 /nfs/dbraw/zinc/65/88/82/388658882.db2.gz KLABJHCPDDTYFU-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123901852 323086011 /nfs/dbraw/zinc/08/60/11/323086011.db2.gz KLABJHCPDDTYFU-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]CCC1CCCCC1 ZINC000123928165 324606179 /nfs/dbraw/zinc/60/61/79/324606179.db2.gz KBTSQKLFOOOKCY-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]CCC1CCCCC1 ZINC000123928399 388658646 /nfs/dbraw/zinc/65/86/46/388658646.db2.gz KBTSQKLFOOOKCY-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CCC1 ZINC000123958336 347921563 /nfs/dbraw/zinc/92/15/63/347921563.db2.gz PQCLRZLRSNMLOF-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CCC1 ZINC000123958789 388658831 /nfs/dbraw/zinc/65/88/31/388658831.db2.gz PQCLRZLRSNMLOF-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000123962726 388658682 /nfs/dbraw/zinc/65/86/82/388658682.db2.gz ZNWFPAFBHTYRBA-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000123963962 388659235 /nfs/dbraw/zinc/65/92/35/388659235.db2.gz QWMAVZJUDFTHTD-GFCCVEGCSA-N 1 0 249.423 3.902 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000123964235 388659388 /nfs/dbraw/zinc/65/93/88/388659388.db2.gz QWMAVZJUDFTHTD-LBPRGKRZSA-N 1 0 249.423 3.902 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123974448 388659336 /nfs/dbraw/zinc/65/93/36/388659336.db2.gz KOXIPWMLUCKSAH-MNOVXSKESA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123974643 324607369 /nfs/dbraw/zinc/60/73/69/324607369.db2.gz KOXIPWMLUCKSAH-QWRGUYRKSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123974815 322998142 /nfs/dbraw/zinc/99/81/42/322998142.db2.gz KOXIPWMLUCKSAH-GHMZBOCLSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123975070 388659005 /nfs/dbraw/zinc/65/90/05/388659005.db2.gz KOXIPWMLUCKSAH-WDEREUQCSA-N 1 0 237.309 3.745 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000123977221 387600928 /nfs/dbraw/zinc/60/09/28/387600928.db2.gz ALJLLCKVYTZXKG-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000123977443 387600746 /nfs/dbraw/zinc/60/07/46/387600746.db2.gz ALJLLCKVYTZXKG-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]CCC1CCCC1 ZINC000123979941 183373924 /nfs/dbraw/zinc/37/39/24/183373924.db2.gz CCTHWIYQMFJBNS-CQSZACIVSA-N 1 0 233.355 3.827 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]CCC1CCCC1 ZINC000123980121 183371613 /nfs/dbraw/zinc/37/16/13/183371613.db2.gz CCTHWIYQMFJBNS-AWEZNQCLSA-N 1 0 233.355 3.827 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CCC1 ZINC000123994130 589890229 /nfs/dbraw/zinc/89/02/29/589890229.db2.gz GRUFQKFLPKZTQA-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CCC1 ZINC000123994396 589890473 /nfs/dbraw/zinc/89/04/73/589890473.db2.gz GRUFQKFLPKZTQA-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]CCc1ccsc1 ZINC000124001781 183373115 /nfs/dbraw/zinc/37/31/15/183373115.db2.gz DQWPYWZUMUHFMH-CYBMUJFWSA-N 1 0 247.363 3.551 20 0 BHADRO C[C@H]([NH2+]CCCCC(F)(F)F)C1CCCC1 ZINC000124001961 324606806 /nfs/dbraw/zinc/60/68/06/324606806.db2.gz HQLJVKSGCZIGDM-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]CCc1ccsc1 ZINC000124002052 183371392 /nfs/dbraw/zinc/37/13/92/183371392.db2.gz DQWPYWZUMUHFMH-ZDUSSCGKSA-N 1 0 247.363 3.551 20 0 BHADRO C[C@@H]([NH2+]CCCCC(F)(F)F)C1CCCC1 ZINC000124002185 388659312 /nfs/dbraw/zinc/65/93/12/388659312.db2.gz HQLJVKSGCZIGDM-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3occc32)CCCC1 ZINC000124040470 168045948 /nfs/dbraw/zinc/04/59/48/168045948.db2.gz CJXMPAZJAXFZEB-CYBMUJFWSA-N 1 0 233.355 3.827 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3occc32)CCCC1 ZINC000124040705 168047340 /nfs/dbraw/zinc/04/73/40/168047340.db2.gz CJXMPAZJAXFZEB-ZDUSSCGKSA-N 1 0 233.355 3.827 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000124057263 324609411 /nfs/dbraw/zinc/60/94/11/324609411.db2.gz LVYHJAIQKREEFI-CYBMUJFWSA-N 1 0 219.372 3.958 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@H](C)c1ccccc1 ZINC000124057492 388660200 /nfs/dbraw/zinc/66/02/00/388660200.db2.gz LVYHJAIQKREEFI-ZDUSSCGKSA-N 1 0 219.372 3.958 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC000124058611 388659962 /nfs/dbraw/zinc/65/99/62/388659962.db2.gz GPSVROKHIITRTP-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC000124058850 388660131 /nfs/dbraw/zinc/66/01/31/388660131.db2.gz GPSVROKHIITRTP-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC000124059083 388660037 /nfs/dbraw/zinc/66/00/37/388660037.db2.gz GPSVROKHIITRTP-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC000124059288 388660142 /nfs/dbraw/zinc/66/01/42/388660142.db2.gz GPSVROKHIITRTP-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO Cc1ncccc1C[NH2+]C1CCC(C(C)C)CC1 ZINC000124059740 642485769 /nfs/dbraw/zinc/48/57/69/642485769.db2.gz AEDJISVFXJEPGM-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000124065003 343167175 /nfs/dbraw/zinc/16/71/75/343167175.db2.gz CBZQIMGQFNRSES-OAHLLOKOSA-N 1 0 245.366 3.683 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000124065160 343167000 /nfs/dbraw/zinc/16/70/00/343167000.db2.gz CBZQIMGQFNRSES-HNNXBMFYSA-N 1 0 245.366 3.683 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC000124081780 387606575 /nfs/dbraw/zinc/60/65/75/387606575.db2.gz YSZHMEZIUOGMTP-OAHLLOKOSA-N 1 0 245.297 3.756 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC000124082005 387605904 /nfs/dbraw/zinc/60/59/04/387605904.db2.gz YSZHMEZIUOGMTP-HNNXBMFYSA-N 1 0 245.297 3.756 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCCc2occc21 ZINC000124083794 387606596 /nfs/dbraw/zinc/60/65/96/387606596.db2.gz MAFXDRILLDNXHW-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCCc2occc21 ZINC000124084037 387604772 /nfs/dbraw/zinc/60/47/72/387604772.db2.gz MAFXDRILLDNXHW-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]CC(C)C ZINC000124182950 180533639 /nfs/dbraw/zinc/53/36/39/180533639.db2.gz YKGRGTARVNAWIG-UHFFFAOYSA-N 1 0 231.339 3.529 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccc(OC)cc1 ZINC000124187925 171518619 /nfs/dbraw/zinc/51/86/19/171518619.db2.gz YLOAJZCPBMFVDG-HNNXBMFYSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccc(OC)cc1 ZINC000124188156 387607641 /nfs/dbraw/zinc/60/76/41/387607641.db2.gz YLOAJZCPBMFVDG-OAHLLOKOSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000124215490 324611241 /nfs/dbraw/zinc/61/12/41/324611241.db2.gz UEKSDRVGAFBFMX-SNVBAGLBSA-N 1 0 238.400 3.689 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000124215685 388661379 /nfs/dbraw/zinc/66/13/79/388661379.db2.gz UEKSDRVGAFBFMX-JTQLQIEISA-N 1 0 238.400 3.689 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H]1CCCc2cc(OC)ccc21 ZINC000124226910 324611835 /nfs/dbraw/zinc/61/18/35/324611835.db2.gz GJHSJYHDPSNPEJ-OCCSQVGLSA-N 1 0 247.382 3.503 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCc2cc(OC)ccc21 ZINC000124227129 388660908 /nfs/dbraw/zinc/66/09/08/388660908.db2.gz GJHSJYHDPSNPEJ-JSGCOSHPSA-N 1 0 247.382 3.503 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H]1CCCc2cc(OC)ccc21 ZINC000124227351 324611283 /nfs/dbraw/zinc/61/12/83/324611283.db2.gz GJHSJYHDPSNPEJ-TZMCWYRMSA-N 1 0 247.382 3.503 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCc2cc(OC)ccc21 ZINC000124227560 324611884 /nfs/dbraw/zinc/61/18/84/324611884.db2.gz GJHSJYHDPSNPEJ-GXTWGEPZSA-N 1 0 247.382 3.503 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000124250399 490337929 /nfs/dbraw/zinc/33/79/29/490337929.db2.gz DKWXJYMQCDNMIS-YPMHNXCESA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000124250560 490338168 /nfs/dbraw/zinc/33/81/68/490338168.db2.gz DKWXJYMQCDNMIS-AAEUAGOBSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000124250788 490338020 /nfs/dbraw/zinc/33/80/20/490338020.db2.gz DKWXJYMQCDNMIS-DGCLKSJQSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000124250985 490337937 /nfs/dbraw/zinc/33/79/37/490337937.db2.gz DKWXJYMQCDNMIS-WCQYABFASA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000124251750 490337768 /nfs/dbraw/zinc/33/77/68/490337768.db2.gz ZBYURILALDTDQP-YPMHNXCESA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000124251927 490337909 /nfs/dbraw/zinc/33/79/09/490337909.db2.gz ZBYURILALDTDQP-AAEUAGOBSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000124252109 490338113 /nfs/dbraw/zinc/33/81/13/490338113.db2.gz ZBYURILALDTDQP-DGCLKSJQSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000124252332 490337966 /nfs/dbraw/zinc/33/79/66/490337966.db2.gz ZBYURILALDTDQP-WCQYABFASA-N 1 0 238.400 3.592 20 0 BHADRO CC[N@H+](Cc1cc(C)nc2ccccc12)C(C)C ZINC000124276949 358514796 /nfs/dbraw/zinc/51/47/96/358514796.db2.gz XQKHMRUFRJQYLC-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000124292665 176108744 /nfs/dbraw/zinc/10/87/44/176108744.db2.gz JPGPOZDLPKCWBT-SNVBAGLBSA-N 1 0 233.286 3.556 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000124292899 177110554 /nfs/dbraw/zinc/11/05/54/177110554.db2.gz JPGPOZDLPKCWBT-JTQLQIEISA-N 1 0 233.286 3.556 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000124298118 324613774 /nfs/dbraw/zinc/61/37/74/324613774.db2.gz DQGHZJDEXJVPJS-ILXRZTDVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000124298515 324614052 /nfs/dbraw/zinc/61/40/52/324614052.db2.gz DQGHZJDEXJVPJS-QLFBSQMISA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCC(C)(C)C2)s1 ZINC000124335752 324613502 /nfs/dbraw/zinc/61/35/02/324613502.db2.gz RHOAUGMPFDPLBR-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCC(C)(C)C2)s1 ZINC000124335948 388661864 /nfs/dbraw/zinc/66/18/64/388661864.db2.gz RHOAUGMPFDPLBR-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1C ZINC000124352923 388662292 /nfs/dbraw/zinc/66/22/92/388662292.db2.gz KSOWVPOSWZHDIT-YPDDLIOESA-N 1 0 215.340 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]1C ZINC000124353148 384976049 /nfs/dbraw/zinc/97/60/49/384976049.db2.gz KSOWVPOSWZHDIT-CMPYXILNSA-N 1 0 215.340 3.574 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cncs1 ZINC000124357446 350691674 /nfs/dbraw/zinc/69/16/74/350691674.db2.gz YKBAYZLHKNENKR-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cncs1 ZINC000124357705 169001718 /nfs/dbraw/zinc/00/17/18/169001718.db2.gz YKBAYZLHKNENKR-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000124362785 324615448 /nfs/dbraw/zinc/61/54/48/324615448.db2.gz OWWHPFVGTIHDDC-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000124363335 632093071 /nfs/dbraw/zinc/09/30/71/632093071.db2.gz CFAXEYUIRAAHMV-LLVKDONJSA-N 1 0 247.313 3.832 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000124363455 592491967 /nfs/dbraw/zinc/49/19/67/592491967.db2.gz CFAXEYUIRAAHMV-NSHDSACASA-N 1 0 247.313 3.832 20 0 BHADRO CC1(C[NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC000124363745 388662354 /nfs/dbraw/zinc/66/23/54/388662354.db2.gz LSAUCJRAHCVPHN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[N@H+](Cc1cccs1)C1CCCC1 ZINC000124372617 358516823 /nfs/dbraw/zinc/51/68/23/358516823.db2.gz CDSGUONFGBDMSZ-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CC2CCCCC2)s1 ZINC000124386556 387615342 /nfs/dbraw/zinc/61/53/42/387615342.db2.gz OODKFLQDJGETMD-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CC2CCCCC2)s1 ZINC000124386785 387614653 /nfs/dbraw/zinc/61/46/53/387614653.db2.gz OODKFLQDJGETMD-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000124421748 388662542 /nfs/dbraw/zinc/66/25/42/388662542.db2.gz KDXVYEYQILTVSH-CYBMUJFWSA-N 1 0 242.366 3.774 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000124422001 388662173 /nfs/dbraw/zinc/66/21/73/388662173.db2.gz KDXVYEYQILTVSH-ZDUSSCGKSA-N 1 0 242.366 3.774 20 0 BHADRO C[N@H+](CCCC1CCCC1)CCc1ccccn1 ZINC000124437008 387617464 /nfs/dbraw/zinc/61/74/64/387617464.db2.gz SVQCEUBJRHCKPV-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]C1CC(OCC)C1)c1ccccc1 ZINC000124446236 169509760 /nfs/dbraw/zinc/50/97/60/169509760.db2.gz YQSITTISYGQHSF-GPANFISMSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(OCC)C1)c1ccccc1 ZINC000124446525 169399591 /nfs/dbraw/zinc/39/95/91/169399591.db2.gz YQSITTISYGQHSF-UYSNPLJNSA-N 1 0 247.382 3.685 20 0 BHADRO CCOC1CC([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000124449278 388663579 /nfs/dbraw/zinc/66/35/79/388663579.db2.gz SLBUTDIACUKEKX-UYSNPLJNSA-N 1 0 247.382 3.541 20 0 BHADRO CCOC1CC([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000124449512 388663636 /nfs/dbraw/zinc/66/36/36/388663636.db2.gz SLBUTDIACUKEKX-GPANFISMSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H]([NH3+])c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000124458426 634422939 /nfs/dbraw/zinc/42/29/39/634422939.db2.gz VYMVQTHLCTXTMN-JTQLQIEISA-N 1 0 244.338 3.659 20 0 BHADRO C[C@@H]([NH3+])c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000124458658 634423164 /nfs/dbraw/zinc/42/31/64/634423164.db2.gz VYMVQTHLCTXTMN-SNVBAGLBSA-N 1 0 244.338 3.659 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000124487044 388663551 /nfs/dbraw/zinc/66/35/51/388663551.db2.gz RZRKHQRBLBKJNO-JTQLQIEISA-N 1 0 243.803 3.744 20 0 BHADRO CCSCC[NH2+][C@H](C)c1ccccc1Cl ZINC000124487281 388663498 /nfs/dbraw/zinc/66/34/98/388663498.db2.gz RZRKHQRBLBKJNO-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO CCOC1CC([NH2+][C@@H](CC)c2ccc(C)cc2)C1 ZINC000124489540 170329391 /nfs/dbraw/zinc/32/93/91/170329391.db2.gz NDSQQLUVJKLWOS-GPANFISMSA-N 1 0 247.382 3.603 20 0 BHADRO CCOC1CC([NH2+][C@H](CC)c2ccc(C)cc2)C1 ZINC000124489746 170329827 /nfs/dbraw/zinc/32/98/27/170329827.db2.gz NDSQQLUVJKLWOS-UYSNPLJNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000124505895 371194412 /nfs/dbraw/zinc/19/44/12/371194412.db2.gz RVRVQWOPIPLSHZ-CQSZACIVSA-N 1 0 203.329 3.542 20 0 BHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000124506159 371194093 /nfs/dbraw/zinc/19/40/93/371194093.db2.gz RVRVQWOPIPLSHZ-AWEZNQCLSA-N 1 0 203.329 3.542 20 0 BHADRO COCCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000124521303 388663655 /nfs/dbraw/zinc/66/36/55/388663655.db2.gz LJWUGRHMNLHQMU-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO COCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000124521531 388663336 /nfs/dbraw/zinc/66/33/36/388663336.db2.gz LJWUGRHMNLHQMU-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO C[N@@H+]1CCC[C@@H]1CCSC1CCCCC1 ZINC000124522764 173028449 /nfs/dbraw/zinc/02/84/49/173028449.db2.gz BQSAGBDPFMHNOR-GFCCVEGCSA-N 1 0 227.417 3.537 20 0 BHADRO C[N@@H+]1CCC[C@H]1CCSC1CCCCC1 ZINC000124523026 173054654 /nfs/dbraw/zinc/05/46/54/173054654.db2.gz BQSAGBDPFMHNOR-LBPRGKRZSA-N 1 0 227.417 3.537 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124581509 324619199 /nfs/dbraw/zinc/61/91/99/324619199.db2.gz DTOLOZZYCWFNHZ-UHFFFAOYSA-N 1 0 213.271 3.512 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124582930 324619936 /nfs/dbraw/zinc/61/99/36/324619936.db2.gz KKBHJXPTNABECD-UHFFFAOYSA-N 1 0 227.298 3.902 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124583673 188018506 /nfs/dbraw/zinc/01/85/06/188018506.db2.gz HHKPRWGYXBHSFS-SECBINFHSA-N 1 0 213.271 3.512 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124583900 171343455 /nfs/dbraw/zinc/34/34/55/171343455.db2.gz HHKPRWGYXBHSFS-VIFPVBQESA-N 1 0 213.271 3.512 20 0 BHADRO FC(F)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000124584395 384657054 /nfs/dbraw/zinc/65/70/54/384657054.db2.gz VCNUEYTUKVRRJF-UHFFFAOYSA-N 1 0 225.282 3.656 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124584655 324619735 /nfs/dbraw/zinc/61/97/35/324619735.db2.gz HMBGDXSLROAONO-UHFFFAOYSA-N 1 0 227.298 3.902 20 0 BHADRO CCCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124585381 490378512 /nfs/dbraw/zinc/37/85/12/490378512.db2.gz MJRSZOCWAQOOFJ-UHFFFAOYSA-N 1 0 227.298 3.904 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124585549 388663215 /nfs/dbraw/zinc/66/32/15/388663215.db2.gz NMUCNWLNHCDBQG-SNVBAGLBSA-N 1 0 227.298 3.902 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124585744 324619747 /nfs/dbraw/zinc/61/97/47/324619747.db2.gz NMUCNWLNHCDBQG-JTQLQIEISA-N 1 0 227.298 3.902 20 0 BHADRO CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124586537 388663008 /nfs/dbraw/zinc/66/30/08/388663008.db2.gz PBTQFTWINPIQMI-UHFFFAOYSA-N 1 0 213.271 3.514 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124586826 388663376 /nfs/dbraw/zinc/66/33/76/388663376.db2.gz CQHQQSALGDACCZ-UHFFFAOYSA-N 1 0 227.298 3.760 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124588524 167382772 /nfs/dbraw/zinc/38/27/72/167382772.db2.gz DXSKXRNANOYJDW-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124588755 187983327 /nfs/dbraw/zinc/98/33/27/187983327.db2.gz DXSKXRNANOYJDW-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO FC(F)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000124589726 388664820 /nfs/dbraw/zinc/66/48/20/388664820.db2.gz ZOTBJHVEESHPRM-UHFFFAOYSA-N 1 0 225.282 3.514 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000124591213 384655154 /nfs/dbraw/zinc/65/51/54/384655154.db2.gz PLJDCBKOJJVQJD-VIFPVBQESA-N 1 0 225.282 3.512 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000124591454 384656975 /nfs/dbraw/zinc/65/69/75/384656975.db2.gz PLJDCBKOJJVQJD-SECBINFHSA-N 1 0 225.282 3.512 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124593040 388664561 /nfs/dbraw/zinc/66/45/61/388664561.db2.gz BVJNMZIYECLUAL-UHFFFAOYSA-N 1 0 227.298 3.760 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124593733 343163163 /nfs/dbraw/zinc/16/31/63/343163163.db2.gz TUNODOBMKOEGJF-NSHDSACASA-N 1 0 225.282 3.512 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124593953 490379414 /nfs/dbraw/zinc/37/94/14/490379414.db2.gz TUNODOBMKOEGJF-LLVKDONJSA-N 1 0 225.282 3.512 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124595628 324620466 /nfs/dbraw/zinc/62/04/66/324620466.db2.gz NYNPPTWIRSWZER-SNVBAGLBSA-N 1 0 227.298 3.760 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124595774 324620793 /nfs/dbraw/zinc/62/07/93/324620793.db2.gz NYNPPTWIRSWZER-JTQLQIEISA-N 1 0 227.298 3.760 20 0 BHADRO FC(F)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000124598338 490380089 /nfs/dbraw/zinc/38/00/89/490380089.db2.gz SYDCUHOKNSCZLS-UHFFFAOYSA-N 1 0 225.282 3.514 20 0 BHADRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000124599819 388664709 /nfs/dbraw/zinc/66/47/09/388664709.db2.gz BGLPOYMFIASZIL-NSHDSACASA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000124600001 388664672 /nfs/dbraw/zinc/66/46/72/388664672.db2.gz BGLPOYMFIASZIL-LLVKDONJSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000124600175 171053449 /nfs/dbraw/zinc/05/34/49/171053449.db2.gz IGWHIWCSFFTFOG-DTWKUNHWSA-N 1 0 244.791 3.559 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000124600298 324620646 /nfs/dbraw/zinc/62/06/46/324620646.db2.gz PPKGQGPHQDNUHP-VXGBXAGGSA-N 1 0 223.335 3.563 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000124600358 384655565 /nfs/dbraw/zinc/65/55/65/384655565.db2.gz IGWHIWCSFFTFOG-IUCAKERBSA-N 1 0 244.791 3.559 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000124600527 388664452 /nfs/dbraw/zinc/66/44/52/388664452.db2.gz PPKGQGPHQDNUHP-NEPJUHHUSA-N 1 0 223.335 3.563 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000124600588 171037340 /nfs/dbraw/zinc/03/73/40/171037340.db2.gz IGWHIWCSFFTFOG-RKDXNWHRSA-N 1 0 244.791 3.559 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000124600745 324620524 /nfs/dbraw/zinc/62/05/24/324620524.db2.gz PPKGQGPHQDNUHP-NWDGAFQWSA-N 1 0 223.335 3.563 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000124600858 384655743 /nfs/dbraw/zinc/65/57/43/384655743.db2.gz IGWHIWCSFFTFOG-BDAKNGLRSA-N 1 0 244.791 3.559 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000124600986 324620898 /nfs/dbraw/zinc/62/08/98/324620898.db2.gz PPKGQGPHQDNUHP-RYUDHWBXSA-N 1 0 223.335 3.563 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000124606823 388664792 /nfs/dbraw/zinc/66/47/92/388664792.db2.gz DMZYIRXUJGLWMA-RYUDHWBXSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000124607035 388664798 /nfs/dbraw/zinc/66/47/98/388664798.db2.gz DMZYIRXUJGLWMA-NEPJUHHUSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000124607234 388664814 /nfs/dbraw/zinc/66/48/14/388664814.db2.gz DMZYIRXUJGLWMA-NWDGAFQWSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CCC1 ZINC000124607441 388664591 /nfs/dbraw/zinc/66/45/91/388664591.db2.gz DMZYIRXUJGLWMA-VXGBXAGGSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000124645470 324621626 /nfs/dbraw/zinc/62/16/26/324621626.db2.gz JGDMUGTYUYQKJM-RYUDHWBXSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124645679 388664596 /nfs/dbraw/zinc/66/45/96/388664596.db2.gz JGDMUGTYUYQKJM-NEPJUHHUSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124645863 388664872 /nfs/dbraw/zinc/66/48/72/388664872.db2.gz JGDMUGTYUYQKJM-NWDGAFQWSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124646006 388664476 /nfs/dbraw/zinc/66/44/76/388664476.db2.gz JGDMUGTYUYQKJM-VXGBXAGGSA-N 1 0 247.313 3.873 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000124663455 388664930 /nfs/dbraw/zinc/66/49/30/388664930.db2.gz SCPDFMGBEZNEMY-UHFFFAOYSA-N 1 0 247.338 3.720 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1)c1cccc(F)c1 ZINC000124683396 191077834 /nfs/dbraw/zinc/07/78/34/191077834.db2.gz QKURWSUENKCKOF-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)(C)C)C1CCCCC1 ZINC000124710318 343164328 /nfs/dbraw/zinc/16/43/28/343164328.db2.gz UGBDFIWFYANVBB-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)(C)C)C1CCCCC1 ZINC000124710502 343163952 /nfs/dbraw/zinc/16/39/52/343163952.db2.gz UGBDFIWFYANVBB-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000124730171 388665908 /nfs/dbraw/zinc/66/59/08/388665908.db2.gz UQKOYSXUVOJNRD-NTZNESFSSA-N 1 0 229.323 3.739 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000124730338 324623710 /nfs/dbraw/zinc/62/37/10/324623710.db2.gz UQKOYSXUVOJNRD-GMXVVIOVSA-N 1 0 229.323 3.739 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000124730551 388665562 /nfs/dbraw/zinc/66/55/62/388665562.db2.gz UQKOYSXUVOJNRD-MDZLAQPJSA-N 1 0 229.323 3.739 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000124730664 324624091 /nfs/dbraw/zinc/62/40/91/324624091.db2.gz UQKOYSXUVOJNRD-GVXVVHGQSA-N 1 0 229.323 3.739 20 0 BHADRO c1cncc(C[N@@H+](CCC2CCCC2)C2CC2)c1 ZINC000124745115 387631779 /nfs/dbraw/zinc/63/17/79/387631779.db2.gz QRFDNHKSOKXXCC-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO COCCCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124788110 324625198 /nfs/dbraw/zinc/62/51/98/324625198.db2.gz GODHCKXMVVVQHX-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000124846265 491128667 /nfs/dbraw/zinc/12/86/67/491128667.db2.gz ISWJACFIDWTAAJ-UONOGXRCSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000124846408 490494141 /nfs/dbraw/zinc/49/41/41/490494141.db2.gz ISWJACFIDWTAAJ-ZIAGYGMSSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@@H](C[NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000124846559 491128660 /nfs/dbraw/zinc/12/86/60/491128660.db2.gz ISWJACFIDWTAAJ-KBPBESRZSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@H](CC[NH2+]C[C@H](C)C1CC1)c1ccccc1 ZINC000124846737 491128652 /nfs/dbraw/zinc/12/86/52/491128652.db2.gz ISWJACFIDWTAAJ-KGLIPLIRSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccccc1F ZINC000124852144 324626440 /nfs/dbraw/zinc/62/64/40/324626440.db2.gz OUBHYDDSKCSTRE-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccccc1F ZINC000124852339 388665957 /nfs/dbraw/zinc/66/59/57/388665957.db2.gz OUBHYDDSKCSTRE-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000124852567 371243211 /nfs/dbraw/zinc/24/32/11/371243211.db2.gz VFKWGIHJYNGMFO-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000124852800 371242699 /nfs/dbraw/zinc/24/26/99/371242699.db2.gz VFKWGIHJYNGMFO-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000124853019 350717491 /nfs/dbraw/zinc/71/74/91/350717491.db2.gz LTSNJPRPYYVMBJ-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000124853232 343165467 /nfs/dbraw/zinc/16/54/67/343165467.db2.gz LTSNJPRPYYVMBJ-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc(F)cc1 ZINC000124860479 343165534 /nfs/dbraw/zinc/16/55/34/343165534.db2.gz CKHCPLNCDYFVGV-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(F)cc1 ZINC000124860732 343165537 /nfs/dbraw/zinc/16/55/37/343165537.db2.gz CKHCPLNCDYFVGV-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000124881103 324626577 /nfs/dbraw/zinc/62/65/77/324626577.db2.gz PYDQMSSXTTXPDF-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000124881326 388666818 /nfs/dbraw/zinc/66/68/18/388666818.db2.gz PYDQMSSXTTXPDF-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000124881531 388667148 /nfs/dbraw/zinc/66/71/48/388667148.db2.gz PYDQMSSXTTXPDF-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000124881683 324626449 /nfs/dbraw/zinc/62/64/49/324626449.db2.gz PYDQMSSXTTXPDF-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000124887470 324626520 /nfs/dbraw/zinc/62/65/20/324626520.db2.gz CKAJZEYYFYXHBA-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000124887704 388667214 /nfs/dbraw/zinc/66/72/14/388667214.db2.gz CKAJZEYYFYXHBA-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000124887913 324626027 /nfs/dbraw/zinc/62/60/27/324626027.db2.gz CKAJZEYYFYXHBA-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000124888167 324626337 /nfs/dbraw/zinc/62/63/37/324626337.db2.gz CKAJZEYYFYXHBA-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000124888344 323105913 /nfs/dbraw/zinc/10/59/13/323105913.db2.gz MSJFDEVRLRHJQC-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000124888551 388666621 /nfs/dbraw/zinc/66/66/21/388666621.db2.gz MSJFDEVRLRHJQC-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000124888811 388666608 /nfs/dbraw/zinc/66/66/08/388666608.db2.gz MSJFDEVRLRHJQC-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000124889075 388667285 /nfs/dbraw/zinc/66/72/85/388667285.db2.gz MSJFDEVRLRHJQC-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000124895187 590096855 /nfs/dbraw/zinc/09/68/55/590096855.db2.gz XBACJDOAZXDMFW-ADEWGFFLSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000124895681 590097886 /nfs/dbraw/zinc/09/78/86/590097886.db2.gz XBACJDOAZXDMFW-USWWRNFRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000124900326 490406749 /nfs/dbraw/zinc/40/67/49/490406749.db2.gz COWKQFCFIXEZRO-JTQLQIEISA-N 1 0 239.309 3.760 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000124900561 490407178 /nfs/dbraw/zinc/40/71/78/490407178.db2.gz COWKQFCFIXEZRO-SNVBAGLBSA-N 1 0 239.309 3.760 20 0 BHADRO c1cc(C[N@@H+](CCC2CCCC2)C2CC2)ccn1 ZINC000124901809 183338657 /nfs/dbraw/zinc/33/86/57/183338657.db2.gz ONCALNKESFDVFT-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000124902783 590097974 /nfs/dbraw/zinc/09/79/74/590097974.db2.gz XEKOSCKMQLDKFP-QWRGUYRKSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000124903013 590097631 /nfs/dbraw/zinc/09/76/31/590097631.db2.gz XEKOSCKMQLDKFP-MNOVXSKESA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000124903229 590098195 /nfs/dbraw/zinc/09/81/95/590098195.db2.gz XEKOSCKMQLDKFP-WDEREUQCSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000124903426 590098404 /nfs/dbraw/zinc/09/84/04/590098404.db2.gz XEKOSCKMQLDKFP-GHMZBOCLSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCSC)c1ccccc1 ZINC000124903667 590098262 /nfs/dbraw/zinc/09/82/62/590098262.db2.gz GORLUZCFVBDKSF-JSGCOSHPSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCSC)c1ccccc1 ZINC000124903881 590098251 /nfs/dbraw/zinc/09/82/51/590098251.db2.gz GORLUZCFVBDKSF-GXTWGEPZSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCSC)c1ccccc1 ZINC000124904071 590097610 /nfs/dbraw/zinc/09/76/10/590097610.db2.gz GORLUZCFVBDKSF-OCCSQVGLSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCSC)c1ccccc1 ZINC000124904241 590097604 /nfs/dbraw/zinc/09/76/04/590097604.db2.gz GORLUZCFVBDKSF-TZMCWYRMSA-N 1 0 237.412 3.869 20 0 BHADRO Cc1cc(NCC(C)(C)C)ccc1N(C)C ZINC000124907880 590097669 /nfs/dbraw/zinc/09/76/69/590097669.db2.gz PERKUDKWEZEATP-UHFFFAOYSA-N 1 0 220.360 3.519 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)C(C)(C)C ZINC000124908667 388666630 /nfs/dbraw/zinc/66/66/30/388666630.db2.gz OYQLLCAELIPFOU-LBPRGKRZSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C(C)(C)C ZINC000124908841 324627045 /nfs/dbraw/zinc/62/70/45/324627045.db2.gz OYQLLCAELIPFOU-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000124917872 590098801 /nfs/dbraw/zinc/09/88/01/590098801.db2.gz NGGCJNOVVRZOQR-QWRGUYRKSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000124918067 590099121 /nfs/dbraw/zinc/09/91/21/590099121.db2.gz NGGCJNOVVRZOQR-MNOVXSKESA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000124918326 590098891 /nfs/dbraw/zinc/09/88/91/590098891.db2.gz NGGCJNOVVRZOQR-WDEREUQCSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000124918508 590099193 /nfs/dbraw/zinc/09/91/93/590099193.db2.gz NGGCJNOVVRZOQR-GHMZBOCLSA-N 1 0 241.375 3.618 20 0 BHADRO CCc1ccc(C[NH2+]CCCCSC)s1 ZINC000124926767 371257915 /nfs/dbraw/zinc/25/79/15/371257915.db2.gz FLOADYZYFAYLGB-UHFFFAOYSA-N 1 0 243.441 3.543 20 0 BHADRO CSCCCC[NH2+]Cc1cc(C)ccc1C ZINC000124926986 324627666 /nfs/dbraw/zinc/62/76/66/324627666.db2.gz IPEJLNOLFNRMCD-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CSCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000124928728 388666592 /nfs/dbraw/zinc/66/65/92/388666592.db2.gz OADBOSBQZHSECM-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CSCCCC[NH2+]Cc1ccccc1Cl ZINC000124930575 388666798 /nfs/dbraw/zinc/66/67/98/388666798.db2.gz KSIBOUVOZWCOGC-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO CSCCCC[NH2+]Cc1cccc(C)c1C ZINC000124938661 323000328 /nfs/dbraw/zinc/00/03/28/323000328.db2.gz GCTMKSQLJMEBLJ-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CSCCCC[NH2+]Cc1ccc(Cl)s1 ZINC000124939116 388667039 /nfs/dbraw/zinc/66/70/39/388667039.db2.gz ZQXCUVIQARNXQX-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CSCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000124940057 388666709 /nfs/dbraw/zinc/66/67/09/388666709.db2.gz YRCSQFNUJVKBEB-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO CSCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000124944542 324628760 /nfs/dbraw/zinc/62/87/60/324628760.db2.gz VGQKPUXONYLAMT-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CSCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000124947031 324628924 /nfs/dbraw/zinc/62/89/24/324628924.db2.gz IOFISYUFUBPPOV-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000124947435 324628592 /nfs/dbraw/zinc/62/85/92/324628592.db2.gz SEXATHDUTJAICX-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CSCCCC[NH2+]Cc1ccc(C)cc1C ZINC000124947443 388666881 /nfs/dbraw/zinc/66/68/81/388666881.db2.gz GQASPAQUNFDLPB-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000124947655 388666962 /nfs/dbraw/zinc/66/69/62/388666962.db2.gz SEXATHDUTJAICX-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000124947844 388666715 /nfs/dbraw/zinc/66/67/15/388666715.db2.gz SEXATHDUTJAICX-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000124948111 388666505 /nfs/dbraw/zinc/66/65/05/388666505.db2.gz SEXATHDUTJAICX-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCc1ccc(C[NH2+]CCCC2CC2)s1 ZINC000124949911 371259279 /nfs/dbraw/zinc/25/92/79/371259279.db2.gz RCAQRXYJKGAIEM-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCCC2CC2)c1 ZINC000124950090 371260262 /nfs/dbraw/zinc/26/02/62/371260262.db2.gz ZYBGPYAOCILLCY-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCCC2CC2)c1 ZINC000124951748 371260141 /nfs/dbraw/zinc/26/01/41/371260141.db2.gz LRVRQIAWJBECJZ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Clc1ccccc1C[NH2+]CCCC1CC1 ZINC000124953769 388666999 /nfs/dbraw/zinc/66/69/99/388666999.db2.gz SMOBPKJEXAEBPZ-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CSc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000124954279 324628931 /nfs/dbraw/zinc/62/89/31/324628931.db2.gz PWXPVEAUUNTTRA-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO Fc1cc(C[NH2+]CCCC2CC2)ccc1Cl ZINC000124956907 324628277 /nfs/dbraw/zinc/62/82/77/324628277.db2.gz VIZHEHRUZJDSJN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+]CCCC1CC1 ZINC000124957711 371262048 /nfs/dbraw/zinc/26/20/48/371262048.db2.gz MWUYMCVSQVISET-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1cccc(C[NH2+]CCCC2CC2)c1C ZINC000124960796 371262135 /nfs/dbraw/zinc/26/21/35/371262135.db2.gz JKYSKXSYUMOUEY-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Clc1ccc(C[NH2+]CCCC2CC2)s1 ZINC000124961271 388666770 /nfs/dbraw/zinc/66/67/70/388666770.db2.gz QRTUOAUJTLRNMF-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO Clc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000124962229 324628160 /nfs/dbraw/zinc/62/81/60/324628160.db2.gz QPPNQHVFRTUANV-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124962772 323000350 /nfs/dbraw/zinc/00/03/50/323000350.db2.gz INVHDOSZXUPFSY-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124963000 324628893 /nfs/dbraw/zinc/62/88/93/324628893.db2.gz INVHDOSZXUPFSY-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000124963268 371264973 /nfs/dbraw/zinc/26/49/73/371264973.db2.gz XKEFCMVHKUSMSX-UHFFFAOYSA-N 1 0 217.356 3.529 20 0 BHADRO Cc1ccc(C[NH2+]CCCC2CC2)cc1C ZINC000124966670 371266520 /nfs/dbraw/zinc/26/65/20/371266520.db2.gz UIZIBZQEGULDSD-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Clc1cccc(C[NH2+]CCCC2CC2)c1 ZINC000124969018 350725260 /nfs/dbraw/zinc/72/52/60/350725260.db2.gz OLJCYLZPUJNHMA-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO Cc1ccc(C[NH2+]CCCC2CC2)c(C)c1 ZINC000124969557 371266605 /nfs/dbraw/zinc/26/66/05/371266605.db2.gz TZMFMOPWYDMACU-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CSC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000124987058 324629823 /nfs/dbraw/zinc/62/98/23/324629823.db2.gz HINSFKRMWWSXFJ-LBPRGKRZSA-N 1 0 237.412 3.651 20 0 BHADRO CSC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000124987250 388666841 /nfs/dbraw/zinc/66/68/41/388666841.db2.gz HINSFKRMWWSXFJ-GFCCVEGCSA-N 1 0 237.412 3.651 20 0 BHADRO CC[N@@H+](Cc1ccc2ccccc2n1)CC(C)C ZINC000124988001 323139730 /nfs/dbraw/zinc/13/97/30/323139730.db2.gz WRGZTGWJOCVVOZ-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)CSC)CC1 ZINC000124988406 388666751 /nfs/dbraw/zinc/66/67/51/388666751.db2.gz YDMQPGKQQAOIAE-HIFPTAJRSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)CSC)CC1 ZINC000124988608 388667337 /nfs/dbraw/zinc/66/73/37/388667337.db2.gz YDMQPGKQQAOIAE-PNESKVBLSA-N 1 0 229.433 3.686 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000124997814 324629713 /nfs/dbraw/zinc/62/97/13/324629713.db2.gz ZEFDDJGDGNAQPT-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000124997972 324629761 /nfs/dbraw/zinc/62/97/61/324629761.db2.gz ZEFDDJGDGNAQPT-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO C1=CCC([NH2+]Cc2cccc3ccccc32)C1 ZINC000124999318 411339859 /nfs/dbraw/zinc/33/98/59/411339859.db2.gz GBFPQFITDZKVTD-UHFFFAOYSA-N 1 0 223.319 3.648 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000124999843 323142324 /nfs/dbraw/zinc/14/23/24/323142324.db2.gz FIFCFEPXRCTMRG-GXTWGEPZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000125000111 323000500 /nfs/dbraw/zinc/00/05/00/323000500.db2.gz FIFCFEPXRCTMRG-TZMCWYRMSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000125000353 324629307 /nfs/dbraw/zinc/62/93/07/324629307.db2.gz FIFCFEPXRCTMRG-JSGCOSHPSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000125000583 388668331 /nfs/dbraw/zinc/66/83/31/388668331.db2.gz FIFCFEPXRCTMRG-OCCSQVGLSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CC1CCC(C)CC1 ZINC000125002598 168153658 /nfs/dbraw/zinc/15/36/58/168153658.db2.gz JDYBWLFIBUEQRH-SLTAFYQDSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CC1CCC(C)CC1 ZINC000125002804 168153527 /nfs/dbraw/zinc/15/35/27/168153527.db2.gz JDYBWLFIBUEQRH-SHARSMKWSA-N 1 0 246.398 3.901 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000125011163 388668303 /nfs/dbraw/zinc/66/83/03/388668303.db2.gz CLAOSYUWEFCGEC-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000125011428 388668810 /nfs/dbraw/zinc/66/88/10/388668810.db2.gz CLAOSYUWEFCGEC-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000125013813 388668492 /nfs/dbraw/zinc/66/84/92/388668492.db2.gz QYZNNSJORDMVGP-LBPRGKRZSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000125014003 324630109 /nfs/dbraw/zinc/63/01/09/324630109.db2.gz QYZNNSJORDMVGP-GFCCVEGCSA-N 1 0 239.309 3.633 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCSC)s1 ZINC000125019167 590113486 /nfs/dbraw/zinc/11/34/86/590113486.db2.gz GWARYKVUXZIJRW-JTQLQIEISA-N 1 0 243.441 3.542 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCSC)s1 ZINC000125019347 590113881 /nfs/dbraw/zinc/11/38/81/590113881.db2.gz GWARYKVUXZIJRW-SNVBAGLBSA-N 1 0 243.441 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000125019576 590113918 /nfs/dbraw/zinc/11/39/18/590113918.db2.gz WADHZVJVQRAZAI-ZDUSSCGKSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000125019817 590113243 /nfs/dbraw/zinc/11/32/43/590113243.db2.gz WADHZVJVQRAZAI-CYBMUJFWSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000125022631 590113919 /nfs/dbraw/zinc/11/39/19/590113919.db2.gz IRGLOXCDGYVFRP-ZDUSSCGKSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000125022851 590113323 /nfs/dbraw/zinc/11/33/23/590113323.db2.gz IRGLOXCDGYVFRP-CYBMUJFWSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000125026015 590114728 /nfs/dbraw/zinc/11/47/28/590114728.db2.gz AIKHYPLZAFOSGJ-JTQLQIEISA-N 1 0 243.803 3.571 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000125026251 590114539 /nfs/dbraw/zinc/11/45/39/590114539.db2.gz AIKHYPLZAFOSGJ-SNVBAGLBSA-N 1 0 243.803 3.571 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000125035543 324629169 /nfs/dbraw/zinc/62/91/69/324629169.db2.gz LDBAEAUTKLIEDV-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000125039584 590115425 /nfs/dbraw/zinc/11/54/25/590115425.db2.gz AQTORIQIZQQDSV-LBPRGKRZSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000125039808 590114955 /nfs/dbraw/zinc/11/49/55/590114955.db2.gz AQTORIQIZQQDSV-GFCCVEGCSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000125040500 590115333 /nfs/dbraw/zinc/11/53/33/590115333.db2.gz BMGUIDDWIXJPBJ-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000125040726 590116056 /nfs/dbraw/zinc/11/60/56/590116056.db2.gz BMGUIDDWIXJPBJ-MRVPVSSYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000125041564 590115732 /nfs/dbraw/zinc/11/57/32/590115732.db2.gz UTQQJHXXXFWRIP-JTQLQIEISA-N 1 0 243.803 3.571 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000125041825 590116524 /nfs/dbraw/zinc/11/65/24/590116524.db2.gz UTQQJHXXXFWRIP-SNVBAGLBSA-N 1 0 243.803 3.571 20 0 BHADRO Cc1cc(NC2CC=CC2)c2ccccc2[nH+]1 ZINC000125043974 178154973 /nfs/dbraw/zinc/15/49/73/178154973.db2.gz KPGHLCIJRZHTNK-UHFFFAOYSA-N 1 0 224.307 3.674 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000125047785 590116444 /nfs/dbraw/zinc/11/64/44/590116444.db2.gz CQCHXTVRCYCQPZ-ZDUSSCGKSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000125047970 590116388 /nfs/dbraw/zinc/11/63/88/590116388.db2.gz CQCHXTVRCYCQPZ-CYBMUJFWSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000125052603 590116476 /nfs/dbraw/zinc/11/64/76/590116476.db2.gz VWEHCKMDDWPEED-JTQLQIEISA-N 1 0 243.803 3.571 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000125052865 590116513 /nfs/dbraw/zinc/11/65/13/590116513.db2.gz VWEHCKMDDWPEED-SNVBAGLBSA-N 1 0 243.803 3.571 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000125053112 590116365 /nfs/dbraw/zinc/11/63/65/590116365.db2.gz OFTDXNJSFIGPHC-ZDUSSCGKSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000125053337 590116450 /nfs/dbraw/zinc/11/64/50/590116450.db2.gz OFTDXNJSFIGPHC-CYBMUJFWSA-N 1 0 237.412 3.535 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000125058373 388668243 /nfs/dbraw/zinc/66/82/43/388668243.db2.gz MKMWOPXGHADPQW-UHFFFAOYSA-N 1 0 240.416 3.620 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000125064197 168363350 /nfs/dbraw/zinc/36/33/50/168363350.db2.gz BGHPFGJJWJSTIZ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000125064358 168364804 /nfs/dbraw/zinc/36/48/04/168364804.db2.gz BGHPFGJJWJSTIZ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[NH+](CCC)Cc1ncc(C(C)(C)C)o1 ZINC000125068396 388668457 /nfs/dbraw/zinc/66/84/57/388668457.db2.gz IMYQPQGEKJGHBE-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CCCC[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC000125069126 388668623 /nfs/dbraw/zinc/66/86/23/388668623.db2.gz PITIIDPDNNRVMA-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125076972 490412780 /nfs/dbraw/zinc/41/27/80/490412780.db2.gz HXUGEJWPXRSJKJ-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125077137 490412773 /nfs/dbraw/zinc/41/27/73/490412773.db2.gz HXUGEJWPXRSJKJ-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1CCC1 ZINC000125077330 490412816 /nfs/dbraw/zinc/41/28/16/490412816.db2.gz HXUGEJWPXRSJKJ-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125077473 490412752 /nfs/dbraw/zinc/41/27/52/490412752.db2.gz HXUGEJWPXRSJKJ-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1c[nH]c2ccccc12 ZINC000125079113 324631399 /nfs/dbraw/zinc/63/13/99/324631399.db2.gz OIQGJMYFUFZSBV-CQSZACIVSA-N 1 0 244.382 3.879 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1c[nH]c2ccccc12 ZINC000125079338 324631236 /nfs/dbraw/zinc/63/12/36/324631236.db2.gz OIQGJMYFUFZSBV-AWEZNQCLSA-N 1 0 244.382 3.879 20 0 BHADRO C(COC1CCCC1)[NH2+]CCC1CCCCC1 ZINC000125099199 388667845 /nfs/dbraw/zinc/66/78/45/388667845.db2.gz HPUPHBCATOKEER-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000125111310 388668319 /nfs/dbraw/zinc/66/83/19/388668319.db2.gz BQNPFMZSBSNBAE-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000125123568 386756925 /nfs/dbraw/zinc/75/69/25/386756925.db2.gz FWCYPSMMCXKEHL-UHFFFAOYSA-N 1 0 240.416 3.720 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccco1 ZINC000125191618 343618567 /nfs/dbraw/zinc/61/85/67/343618567.db2.gz UHFKBQIAAAVJHG-MAZHCROVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000125192058 343618704 /nfs/dbraw/zinc/61/87/04/343618704.db2.gz UHFKBQIAAAVJHG-RCBQFDQVSA-N 1 0 241.334 3.561 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125237410 388669666 /nfs/dbraw/zinc/66/96/66/388669666.db2.gz FYCZPOXYVDMGBK-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125237611 324636686 /nfs/dbraw/zinc/63/66/86/324636686.db2.gz FYCZPOXYVDMGBK-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125237891 324636668 /nfs/dbraw/zinc/63/66/68/324636668.db2.gz FYCZPOXYVDMGBK-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125238100 324636675 /nfs/dbraw/zinc/63/66/75/324636675.db2.gz FYCZPOXYVDMGBK-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1 ZINC000125238306 387648288 /nfs/dbraw/zinc/64/82/88/387648288.db2.gz QMPUYGNBWLKRAQ-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1 ZINC000125238498 170908678 /nfs/dbraw/zinc/90/86/78/170908678.db2.gz QMPUYGNBWLKRAQ-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(F)cc1 ZINC000125238719 387648122 /nfs/dbraw/zinc/64/81/22/387648122.db2.gz QMPUYGNBWLKRAQ-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(F)cc1 ZINC000125238958 358535880 /nfs/dbraw/zinc/53/58/80/358535880.db2.gz QMPUYGNBWLKRAQ-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)[NH2+][C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000125238997 343620418 /nfs/dbraw/zinc/62/04/18/343620418.db2.gz ACLJSPBRXMWJFX-AWEZNQCLSA-N 1 0 249.398 3.793 20 0 BHADRO CC(C)[NH2+][C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000125239209 343620603 /nfs/dbraw/zinc/62/06/03/343620603.db2.gz ACLJSPBRXMWJFX-CQSZACIVSA-N 1 0 249.398 3.793 20 0 BHADRO FC(F)(F)c1cccc(C[NH2+]C2CC=CC2)c1 ZINC000125246604 490421816 /nfs/dbraw/zinc/42/18/16/490421816.db2.gz YVAIWCYZWFWDFE-UHFFFAOYSA-N 1 0 241.256 3.514 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125246951 490422201 /nfs/dbraw/zinc/42/22/01/490422201.db2.gz IFAMMYWVBPYPFC-UHFFFAOYSA-N 1 0 229.367 3.693 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C2CCCCCC2)s1 ZINC000125251564 324636870 /nfs/dbraw/zinc/63/68/70/324636870.db2.gz RKYXLNPKUBXBAU-LLVKDONJSA-N 1 0 238.400 3.825 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C2CCCCCC2)s1 ZINC000125251792 388670786 /nfs/dbraw/zinc/67/07/86/388670786.db2.gz RKYXLNPKUBXBAU-NSHDSACASA-N 1 0 238.400 3.825 20 0 BHADRO C1=CCC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000125254585 490422671 /nfs/dbraw/zinc/42/26/71/490422671.db2.gz RUYHSUIILHYYRK-UHFFFAOYSA-N 1 0 223.319 3.648 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125255812 490423088 /nfs/dbraw/zinc/42/30/88/490423088.db2.gz FWGNYFVKJMDPCS-UHFFFAOYSA-N 1 0 241.256 3.514 20 0 BHADRO CCCCOc1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125255995 490423124 /nfs/dbraw/zinc/42/31/24/490423124.db2.gz ODJCENATUGTMQR-UHFFFAOYSA-N 1 0 245.366 3.674 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C2CCC(C)CC2)s1 ZINC000125258802 324636908 /nfs/dbraw/zinc/63/69/08/324636908.db2.gz XNNVKAVJXUCVJB-CKBZRRDASA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C2CCC(C)CC2)s1 ZINC000125259011 388670766 /nfs/dbraw/zinc/67/07/66/388670766.db2.gz XNNVKAVJXUCVJB-ZYXZCXLHSA-N 1 0 238.400 3.681 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125259469 490422848 /nfs/dbraw/zinc/42/28/48/490422848.db2.gz NJVKZRDHLKGLDQ-UHFFFAOYSA-N 1 0 229.367 3.792 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000125259740 386238905 /nfs/dbraw/zinc/23/89/05/386238905.db2.gz NFQNKJMPSPFTGQ-GXSJLCMTSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000125259986 386238685 /nfs/dbraw/zinc/23/86/85/386238685.db2.gz NFQNKJMPSPFTGQ-ONGXEEELSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000125260141 386238699 /nfs/dbraw/zinc/23/86/99/386238699.db2.gz NFQNKJMPSPFTGQ-MWLCHTKSSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)CC(C)C)s1 ZINC000125260384 386238854 /nfs/dbraw/zinc/23/88/54/386238854.db2.gz NFQNKJMPSPFTGQ-KOLCDFICSA-N 1 0 226.389 3.537 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000125261509 386238634 /nfs/dbraw/zinc/23/86/34/386238634.db2.gz YSBICTOJVHHJOY-KOLCDFICSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000125261787 350731842 /nfs/dbraw/zinc/73/18/42/350731842.db2.gz YSBICTOJVHHJOY-ONGXEEELSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000125262006 350732186 /nfs/dbraw/zinc/73/21/86/350732186.db2.gz YSBICTOJVHHJOY-MWLCHTKSSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000125262219 350731794 /nfs/dbraw/zinc/73/17/94/350731794.db2.gz YSBICTOJVHHJOY-GXSJLCMTSA-N 1 0 226.389 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000125264709 388670434 /nfs/dbraw/zinc/67/04/34/388670434.db2.gz GQKCQMMBPQMJCT-CMPLNLGQSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000125264947 388670791 /nfs/dbraw/zinc/67/07/91/388670791.db2.gz GQKCQMMBPQMJCT-JQWIXIFHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCC(C)C)s1 ZINC000125265138 324636635 /nfs/dbraw/zinc/63/66/35/324636635.db2.gz GQKCQMMBPQMJCT-ZYHUDNBSSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)CCC(C)C)s1 ZINC000125265330 388671181 /nfs/dbraw/zinc/67/11/81/388671181.db2.gz GQKCQMMBPQMJCT-PWSUYJOCSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cc(C)[nH+]c(NCc2ccc(Cl)o2)c1 ZINC000125265709 387648919 /nfs/dbraw/zinc/64/89/19/387648919.db2.gz HCNVAVYTHLIVQM-UHFFFAOYSA-N 1 0 236.702 3.557 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)s1 ZINC000125270825 323000925 /nfs/dbraw/zinc/00/09/25/323000925.db2.gz BXUMCCKEISRASF-ZMLRMANQSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)s1 ZINC000125271265 388670775 /nfs/dbraw/zinc/67/07/75/388670775.db2.gz BXUMCCKEISRASF-DLOVCJGASA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)s1 ZINC000125274146 324636522 /nfs/dbraw/zinc/63/65/22/324636522.db2.gz XCSRWCDUYSLTGY-WDEREUQCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)C2CCCC2)s1 ZINC000125274358 324636473 /nfs/dbraw/zinc/63/64/73/324636473.db2.gz XCSRWCDUYSLTGY-QWRGUYRKSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)C2CCCC2)s1 ZINC000125274568 324636324 /nfs/dbraw/zinc/63/63/24/324636324.db2.gz XCSRWCDUYSLTGY-GHMZBOCLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)C2CCCC2)s1 ZINC000125274780 323393041 /nfs/dbraw/zinc/39/30/41/323393041.db2.gz XCSRWCDUYSLTGY-MNOVXSKESA-N 1 0 238.400 3.681 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000125306778 590161102 /nfs/dbraw/zinc/16/11/02/590161102.db2.gz OAANVCRIXKEZLC-YCPUKSTGSA-N 1 0 234.170 3.570 20 0 BHADRO C[C@H]([NH2+]CCCOC1CCCC1)C1CCCC1 ZINC000125329079 324638123 /nfs/dbraw/zinc/63/81/23/324638123.db2.gz UOXXGLRVUDKWNC-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCOC1CCCC1)C1CCCC1 ZINC000125329280 388671149 /nfs/dbraw/zinc/67/11/49/388671149.db2.gz UOXXGLRVUDKWNC-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000125360496 388671296 /nfs/dbraw/zinc/67/12/96/388671296.db2.gz YEOTWSQRNIPGSG-INIZCTEOSA-N 1 0 247.382 3.593 20 0 BHADRO COCC[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000125360776 324067952 /nfs/dbraw/zinc/06/79/52/324067952.db2.gz YEOTWSQRNIPGSG-MRXNPFEDSA-N 1 0 247.382 3.593 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000125401332 324639980 /nfs/dbraw/zinc/63/99/80/324639980.db2.gz UWOHHHBHFJYEND-AATRIKPKSA-N 1 0 221.319 3.617 20 0 BHADRO c1coc(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000125411544 183390189 /nfs/dbraw/zinc/39/01/89/183390189.db2.gz HOFIUZCLCHHMPS-UHFFFAOYSA-N 1 0 241.334 3.659 20 0 BHADRO Cc1ccoc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000125430008 387657030 /nfs/dbraw/zinc/65/70/30/387657030.db2.gz BDSZNOQADPQOFQ-UHFFFAOYSA-N 1 0 241.334 3.753 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000125430463 168363293 /nfs/dbraw/zinc/36/32/93/168363293.db2.gz QWYWTDUNHGWSBZ-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000125430641 168365049 /nfs/dbraw/zinc/36/50/49/168365049.db2.gz QWYWTDUNHGWSBZ-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125431083 171535843 /nfs/dbraw/zinc/53/58/43/171535843.db2.gz NBGPHUSNPJGBCJ-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125431343 358538792 /nfs/dbraw/zinc/53/87/92/358538792.db2.gz NBGPHUSNPJGBCJ-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125431559 387656519 /nfs/dbraw/zinc/65/65/19/387656519.db2.gz NBGPHUSNPJGBCJ-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125431769 358539293 /nfs/dbraw/zinc/53/92/93/358539293.db2.gz NBGPHUSNPJGBCJ-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000125431837 169359839 /nfs/dbraw/zinc/35/98/39/169359839.db2.gz FLQQRUHXQPNGFF-KOLCDFICSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000125432090 398152580 /nfs/dbraw/zinc/15/25/80/398152580.db2.gz FLQQRUHXQPNGFF-ONGXEEELSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000125432331 169360783 /nfs/dbraw/zinc/36/07/83/169360783.db2.gz FLQQRUHXQPNGFF-MWLCHTKSSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000125432630 398152476 /nfs/dbraw/zinc/15/24/76/398152476.db2.gz FLQQRUHXQPNGFF-GXSJLCMTSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000125442293 169379855 /nfs/dbraw/zinc/37/98/55/169379855.db2.gz WXPXYUUADYLQCF-WDEREUQCSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000125442489 386255638 /nfs/dbraw/zinc/25/56/38/386255638.db2.gz WXPXYUUADYLQCF-QWRGUYRKSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1nc(C)cs1 ZINC000125442695 169380265 /nfs/dbraw/zinc/38/02/65/169380265.db2.gz WXPXYUUADYLQCF-GHMZBOCLSA-N 1 0 226.389 3.681 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccco2)ccc1Cl ZINC000125466363 388672528 /nfs/dbraw/zinc/67/25/28/388672528.db2.gz FWPWQBPBQTUZJQ-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CC2CCCCC2)ccn1 ZINC000125477584 183359747 /nfs/dbraw/zinc/35/97/47/183359747.db2.gz BAHDNBLHOSDIHN-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CC2CCCCC2)ccn1 ZINC000125477810 387656745 /nfs/dbraw/zinc/65/67/45/387656745.db2.gz BAHDNBLHOSDIHN-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO Cc1cccc(C2([NH2+]C(C)C)CCCC2)c1 ZINC000125499570 324641946 /nfs/dbraw/zinc/64/19/46/324641946.db2.gz GCZHJURECKRIJJ-UHFFFAOYSA-N 1 0 217.356 3.762 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125505254 590166728 /nfs/dbraw/zinc/16/67/28/590166728.db2.gz RDKIICSKBVMKMX-OAHLLOKOSA-N 1 0 232.371 3.799 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125505482 590166891 /nfs/dbraw/zinc/16/68/91/590166891.db2.gz RDKIICSKBVMKMX-HNNXBMFYSA-N 1 0 232.371 3.799 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000125510793 324642935 /nfs/dbraw/zinc/64/29/35/324642935.db2.gz LVROLFHIGVHHDJ-UONOGXRCSA-N 1 0 247.382 3.721 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000125510995 324643161 /nfs/dbraw/zinc/64/31/61/324643161.db2.gz LVROLFHIGVHHDJ-KBPBESRZSA-N 1 0 247.382 3.721 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000125511182 388672098 /nfs/dbraw/zinc/67/20/98/388672098.db2.gz LVROLFHIGVHHDJ-ZIAGYGMSSA-N 1 0 247.382 3.721 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000125511409 388672480 /nfs/dbraw/zinc/67/24/80/388672480.db2.gz LVROLFHIGVHHDJ-KGLIPLIRSA-N 1 0 247.382 3.721 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC000125528591 176013926 /nfs/dbraw/zinc/01/39/26/176013926.db2.gz FFYHVPBVDWHIKH-VIFPVBQESA-N 1 0 227.710 3.636 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CCC2CCCC2)ccn1 ZINC000125537078 183360460 /nfs/dbraw/zinc/36/04/60/183360460.db2.gz CYJWCXJAUOSKAP-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CCC2CCCC2)ccn1 ZINC000125537328 183364562 /nfs/dbraw/zinc/36/45/62/183364562.db2.gz CYJWCXJAUOSKAP-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1c(C)noc1C ZINC000125549325 490438768 /nfs/dbraw/zinc/43/87/68/490438768.db2.gz XFXCZZALCIOMOS-JOYOIKCWSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1c(C)noc1C ZINC000125549571 490502672 /nfs/dbraw/zinc/50/26/72/490502672.db2.gz XFXCZZALCIOMOS-CABZTGNLSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1c(C)noc1C ZINC000125549804 490438900 /nfs/dbraw/zinc/43/89/00/490438900.db2.gz XFXCZZALCIOMOS-BXKDBHETSA-N 1 0 224.348 3.521 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1c(C)noc1C ZINC000125549965 490438825 /nfs/dbraw/zinc/43/88/25/490438825.db2.gz XFXCZZALCIOMOS-SKDRFNHKSA-N 1 0 224.348 3.521 20 0 BHADRO Fc1cc(F)cc(C[NH2+]CCC2CCCC2)c1 ZINC000125601258 388673834 /nfs/dbraw/zinc/67/38/34/388673834.db2.gz IBRWGAKFZIIQEL-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000125617295 491129155 /nfs/dbraw/zinc/12/91/55/491129155.db2.gz FSZPPRSRSZHAHR-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000125617612 491129160 /nfs/dbraw/zinc/12/91/60/491129160.db2.gz FSZPPRSRSZHAHR-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO CC1([NH2+]Cc2cc(F)cc(F)c2)CCCCC1 ZINC000125632552 324645670 /nfs/dbraw/zinc/64/56/70/324645670.db2.gz QVAGGROOEUVUID-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](CC)c1ccncc1 ZINC000125633606 169380625 /nfs/dbraw/zinc/38/06/25/169380625.db2.gz NDGJLFXXAFXIOC-KGLIPLIRSA-N 1 0 220.360 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CC)c1ccncc1 ZINC000125633810 386287160 /nfs/dbraw/zinc/28/71/60/386287160.db2.gz NDGJLFXXAFXIOC-KBPBESRZSA-N 1 0 220.360 3.701 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](CC)c1ccncc1 ZINC000125634014 169380040 /nfs/dbraw/zinc/38/00/40/169380040.db2.gz NDGJLFXXAFXIOC-ZIAGYGMSSA-N 1 0 220.360 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CC)c1ccncc1 ZINC000125634209 386287177 /nfs/dbraw/zinc/28/71/77/386287177.db2.gz NDGJLFXXAFXIOC-UONOGXRCSA-N 1 0 220.360 3.701 20 0 BHADRO CC1(C[NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC000125642060 324646444 /nfs/dbraw/zinc/64/64/44/324646444.db2.gz ZCUXOZXFQDKEEV-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO C[C@@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C ZINC000125647228 343174370 /nfs/dbraw/zinc/17/43/70/343174370.db2.gz ABXJXOFWHLWRSK-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000125675708 388674377 /nfs/dbraw/zinc/67/43/77/388674377.db2.gz HPPSCTOBNPUCGO-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000125675933 388674517 /nfs/dbraw/zinc/67/45/17/388674517.db2.gz HPPSCTOBNPUCGO-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000125676122 388674284 /nfs/dbraw/zinc/67/42/84/388674284.db2.gz HPPSCTOBNPUCGO-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000125676339 388674344 /nfs/dbraw/zinc/67/43/44/388674344.db2.gz HPPSCTOBNPUCGO-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000125679647 388674709 /nfs/dbraw/zinc/67/47/09/388674709.db2.gz UBGOWIFWSNWDKY-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000125679848 324646457 /nfs/dbraw/zinc/64/64/57/324646457.db2.gz UBGOWIFWSNWDKY-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000125679981 324646530 /nfs/dbraw/zinc/64/65/30/324646530.db2.gz UBGOWIFWSNWDKY-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000125680214 324646644 /nfs/dbraw/zinc/64/66/44/324646644.db2.gz UBGOWIFWSNWDKY-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000125680477 324646768 /nfs/dbraw/zinc/64/67/68/324646768.db2.gz BHBIUVYHEDOOMP-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000125680627 388674246 /nfs/dbraw/zinc/67/42/46/388674246.db2.gz BHBIUVYHEDOOMP-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000125680783 324646766 /nfs/dbraw/zinc/64/67/66/324646766.db2.gz BHBIUVYHEDOOMP-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000125680934 388674838 /nfs/dbraw/zinc/67/48/38/388674838.db2.gz BHBIUVYHEDOOMP-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)[N@@H+](Cc1cccnc1)CC1CCCCC1 ZINC000125690963 387663234 /nfs/dbraw/zinc/66/32/34/387663234.db2.gz LPEYGPSUEJSFKJ-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC1 ZINC000125710790 388674649 /nfs/dbraw/zinc/67/46/49/388674649.db2.gz WPLAUZQJHNCTNW-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC1CC1 ZINC000125710998 388674436 /nfs/dbraw/zinc/67/44/36/388674436.db2.gz WPLAUZQJHNCTNW-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC000125711226 388674513 /nfs/dbraw/zinc/67/45/13/388674513.db2.gz WPLAUZQJHNCTNW-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC000125711512 324648042 /nfs/dbraw/zinc/64/80/42/324648042.db2.gz WPLAUZQJHNCTNW-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cnc(C)s1 ZINC000125713807 168350485 /nfs/dbraw/zinc/35/04/85/168350485.db2.gz UVFBGYMIHTXJIT-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CC(C)[N@H+](CCC1CCCC1)Cc1cccnc1 ZINC000125721229 387663046 /nfs/dbraw/zinc/66/30/46/387663046.db2.gz NBXWQYYNBKMYQB-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CCC(CC)(C[NH2+]C[C@H]1CC=CCC1)SC ZINC000125725516 590184997 /nfs/dbraw/zinc/18/49/97/590184997.db2.gz GUEYCDWYBLQSPR-ZDUSSCGKSA-N 1 0 241.444 3.854 20 0 BHADRO CCC(CC)(C[NH2+]C[C@@H]1CC=CCC1)SC ZINC000125725727 590185167 /nfs/dbraw/zinc/18/51/67/590185167.db2.gz GUEYCDWYBLQSPR-CYBMUJFWSA-N 1 0 241.444 3.854 20 0 BHADRO CCC1(C[NH2+]C[C@H]2CC=CCC2)CCC1 ZINC000125739172 386307073 /nfs/dbraw/zinc/30/70/73/386307073.db2.gz KNAIGCQSWRZYLE-ZDUSSCGKSA-N 1 0 207.361 3.513 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2CC=CCC2)CCC1 ZINC000125739380 386307675 /nfs/dbraw/zinc/30/76/75/386307675.db2.gz KNAIGCQSWRZYLE-CYBMUJFWSA-N 1 0 207.361 3.513 20 0 BHADRO CCCC1(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000125746929 168598455 /nfs/dbraw/zinc/59/84/55/168598455.db2.gz NWECBOJDIFPLKJ-ZDUSSCGKSA-N 1 0 207.361 3.513 20 0 BHADRO CCCC1(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000125747195 386308960 /nfs/dbraw/zinc/30/89/60/386308960.db2.gz NWECBOJDIFPLKJ-CYBMUJFWSA-N 1 0 207.361 3.513 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000125765436 590188477 /nfs/dbraw/zinc/18/84/77/590188477.db2.gz FWHSTRHNSPJVAF-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C([NH2+]C1CCCCCC1)C1(C2CC2)CCC1 ZINC000125792040 343167996 /nfs/dbraw/zinc/16/79/96/343167996.db2.gz ISJBILZJFJZAQT-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO Clc1ccc(C[NH2+]CC2(C3CC3)CCC2)o1 ZINC000125796845 398095964 /nfs/dbraw/zinc/09/59/64/398095964.db2.gz ZAFODSUIKAXALO-UHFFFAOYSA-N 1 0 239.746 3.603 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC1 ZINC000125799935 388678545 /nfs/dbraw/zinc/67/85/45/388678545.db2.gz PDUGMNFTAOBEEN-JTQLQIEISA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC1 ZINC000125800147 388677926 /nfs/dbraw/zinc/67/79/26/388677926.db2.gz PDUGMNFTAOBEEN-SNVBAGLBSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC1CC1 ZINC000125800404 323001915 /nfs/dbraw/zinc/00/19/15/323001915.db2.gz GEQGOFMXCNLOOM-JTQLQIEISA-N 1 0 223.747 3.743 20 0 BHADRO C1=CC[C@H](C[NH2+]CC2(C3CC3)CCC2)CC1 ZINC000125800501 398096075 /nfs/dbraw/zinc/09/60/75/398096075.db2.gz ZOFNOEQQYYYQSI-ZDUSSCGKSA-N 1 0 219.372 3.513 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC1CC1 ZINC000125800621 388678355 /nfs/dbraw/zinc/67/83/55/388678355.db2.gz GEQGOFMXCNLOOM-SNVBAGLBSA-N 1 0 223.747 3.743 20 0 BHADRO C1=CC[C@@H](C[NH2+]CC2(C3CC3)CCC2)CC1 ZINC000125800751 398096155 /nfs/dbraw/zinc/09/61/55/398096155.db2.gz ZOFNOEQQYYYQSI-CYBMUJFWSA-N 1 0 219.372 3.513 20 0 BHADRO CC1CCC([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000125801987 343167889 /nfs/dbraw/zinc/16/78/89/343167889.db2.gz AKTZDXRQMXXEDX-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000125807701 323001832 /nfs/dbraw/zinc/00/18/32/323001832.db2.gz UPUBNIRHHDWPKZ-LBPRGKRZSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H](C)CC(C)C)c1 ZINC000125807948 323001949 /nfs/dbraw/zinc/00/19/49/323001949.db2.gz UPUBNIRHHDWPKZ-GFCCVEGCSA-N 1 0 223.335 3.658 20 0 BHADRO C[C@@H]1CC([NH2+]CC2(C3CC3)CC2)C[C@@H](C)C1 ZINC000125835567 388678891 /nfs/dbraw/zinc/67/88/91/388678891.db2.gz BMUAMSGHOMVKLF-RYUDHWBXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CC([NH2+]CC2(C3CC3)CC2)C[C@H](C)C1 ZINC000125835823 388679542 /nfs/dbraw/zinc/67/95/42/388679542.db2.gz BMUAMSGHOMVKLF-VXGBXAGGSA-N 1 0 221.388 3.591 20 0 BHADRO Clc1cccc(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000125837850 398096820 /nfs/dbraw/zinc/09/68/20/398096820.db2.gz GWCPLJHXXXOBAX-UHFFFAOYSA-N 1 0 235.758 3.620 20 0 BHADRO Clc1ccc(C[NH2+]CC2(C3CC3)CC2)s1 ZINC000125841324 388679351 /nfs/dbraw/zinc/67/93/51/388679351.db2.gz UQQXJPBDCODCOR-UHFFFAOYSA-N 1 0 241.787 3.681 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125841634 388679064 /nfs/dbraw/zinc/67/90/64/388679064.db2.gz NNMKVVJPWAMURR-OCCSQVGLSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125841882 388679396 /nfs/dbraw/zinc/67/93/96/388679396.db2.gz NNMKVVJPWAMURR-JSGCOSHPSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125842135 324657019 /nfs/dbraw/zinc/65/70/19/324657019.db2.gz NNMKVVJPWAMURR-TZMCWYRMSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125842317 388678960 /nfs/dbraw/zinc/67/89/60/388678960.db2.gz NNMKVVJPWAMURR-GXTWGEPZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000125849383 323001968 /nfs/dbraw/zinc/00/19/68/323001968.db2.gz YALSHJVWSUQQFI-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000125849817 324659263 /nfs/dbraw/zinc/65/92/63/324659263.db2.gz SDUDOTYHKGFQOH-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125853103 388680129 /nfs/dbraw/zinc/68/01/29/388680129.db2.gz MUEAOSKAROJMKS-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125853309 324659532 /nfs/dbraw/zinc/65/95/32/324659532.db2.gz MUEAOSKAROJMKS-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]([NH2+]CCCCOc1ccccc1)C1CCC1 ZINC000125853409 490466402 /nfs/dbraw/zinc/46/64/02/490466402.db2.gz VHWDFGMRYWYACL-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]([NH2+]CCCCOc1ccccc1)C1CCC1 ZINC000125853638 490504361 /nfs/dbraw/zinc/50/43/61/490504361.db2.gz VHWDFGMRYWYACL-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO Clc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000125856466 387665565 /nfs/dbraw/zinc/66/55/65/387665565.db2.gz ZKFRORSWLJNOKJ-UHFFFAOYSA-N 1 0 235.758 3.620 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904184 388681315 /nfs/dbraw/zinc/68/13/15/388681315.db2.gz ANXTUBCALKJCMR-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904373 323045703 /nfs/dbraw/zinc/04/57/03/323045703.db2.gz ANXTUBCALKJCMR-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C1CCC1 ZINC000125904601 388681033 /nfs/dbraw/zinc/68/10/33/388681033.db2.gz ANXTUBCALKJCMR-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904865 324663836 /nfs/dbraw/zinc/66/38/36/324663836.db2.gz ANXTUBCALKJCMR-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]CCC1CC1 ZINC000125930870 491130197 /nfs/dbraw/zinc/13/01/97/491130197.db2.gz CZLSUSGYYWEPEH-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]CCC1CC1 ZINC000125931084 491130147 /nfs/dbraw/zinc/13/01/47/491130147.db2.gz CZLSUSGYYWEPEH-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000125939175 324666535 /nfs/dbraw/zinc/66/65/35/324666535.db2.gz GDIZETYAHRACDO-LBPRGKRZSA-N 1 0 215.340 3.527 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000125939372 388683637 /nfs/dbraw/zinc/68/36/37/388683637.db2.gz GDIZETYAHRACDO-GFCCVEGCSA-N 1 0 215.340 3.527 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1CC1 ZINC000125948706 324667594 /nfs/dbraw/zinc/66/75/94/324667594.db2.gz SJWBACIJURXWBD-FLIBITNWSA-N 1 0 235.758 3.743 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000125953682 388684570 /nfs/dbraw/zinc/68/45/70/388684570.db2.gz OLZXVQHDRKKZEM-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000125953879 324668665 /nfs/dbraw/zinc/66/86/65/324668665.db2.gz OLZXVQHDRKKZEM-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000125955789 324669328 /nfs/dbraw/zinc/66/93/28/324669328.db2.gz KEVSFGQFBNYADJ-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000125955985 324668914 /nfs/dbraw/zinc/66/89/14/324668914.db2.gz KEVSFGQFBNYADJ-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000125956122 388684278 /nfs/dbraw/zinc/68/42/78/388684278.db2.gz KEVSFGQFBNYADJ-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000125956337 323002406 /nfs/dbraw/zinc/00/24/06/323002406.db2.gz KEVSFGQFBNYADJ-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+](C)CC1CC1 ZINC000125959342 388684161 /nfs/dbraw/zinc/68/41/61/388684161.db2.gz OYTOMZJAONKKPG-JTQLQIEISA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+](C)CC1CC1 ZINC000125959607 323002337 /nfs/dbraw/zinc/00/23/37/323002337.db2.gz OYTOMZJAONKKPG-SNVBAGLBSA-N 1 0 223.747 3.743 20 0 BHADRO CCC1(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000125971729 388684445 /nfs/dbraw/zinc/68/44/45/388684445.db2.gz VWOVBLOBDPVHNB-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C[NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC000125972026 324670836 /nfs/dbraw/zinc/67/08/36/324670836.db2.gz KSJIWVRIPZRGLN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000125974720 590201971 /nfs/dbraw/zinc/20/19/71/590201971.db2.gz JDNORVXBMMQLLH-CYBMUJFWSA-N 1 0 239.403 3.646 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000125974934 590202105 /nfs/dbraw/zinc/20/21/05/590202105.db2.gz JDNORVXBMMQLLH-ZDUSSCGKSA-N 1 0 239.403 3.646 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)C1CCCC1 ZINC000125976737 590202044 /nfs/dbraw/zinc/20/20/44/590202044.db2.gz SYCQBLDTTLUJFW-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C[NH2+]Cc1ccoc1)C1CCCC1 ZINC000125977871 590202028 /nfs/dbraw/zinc/20/20/28/590202028.db2.gz WBXWOQGPUQMUAI-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000125979239 387670628 /nfs/dbraw/zinc/67/06/28/387670628.db2.gz RANDPKYSFKZYTN-UHFFFAOYSA-N 1 0 215.340 3.585 20 0 BHADRO Cc1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000125979754 179089911 /nfs/dbraw/zinc/08/99/11/179089911.db2.gz ZWLTYGHLXHCLCY-UHFFFAOYSA-N 1 0 215.340 3.585 20 0 BHADRO C1=C(CC[NH2+]CC2CCCCC2)CCC1 ZINC000125980022 384722299 /nfs/dbraw/zinc/72/22/99/384722299.db2.gz LOUYXGRDYICSPK-UHFFFAOYSA-N 1 0 207.361 3.657 20 0 BHADRO CC1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000125980654 168163053 /nfs/dbraw/zinc/16/30/53/168163053.db2.gz JSJBBRQTDMOZSY-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO Clc1ccc(C[NH2+]CCC2=CCCC2)s1 ZINC000125983732 388684719 /nfs/dbraw/zinc/68/47/19/388684719.db2.gz SODAKOSFLXWSGG-UHFFFAOYSA-N 1 0 241.787 3.992 20 0 BHADRO C1=C(CC[NH2+]C2CCCCCC2)CCC1 ZINC000125984745 324671680 /nfs/dbraw/zinc/67/16/80/324671680.db2.gz MMCACQXJHNYQGX-UHFFFAOYSA-N 1 0 207.361 3.799 20 0 BHADRO Cc1ccccc1C[NH2+]CCC1=CCCC1 ZINC000125985243 179280345 /nfs/dbraw/zinc/28/03/45/179280345.db2.gz XNQRXFGXMLBSGG-UHFFFAOYSA-N 1 0 215.340 3.585 20 0 BHADRO Clc1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000125989162 384724093 /nfs/dbraw/zinc/72/40/93/384724093.db2.gz CPYLXPXIYXTUQT-UHFFFAOYSA-N 1 0 225.719 3.523 20 0 BHADRO Clc1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000125989734 388685098 /nfs/dbraw/zinc/68/50/98/388685098.db2.gz CSEOWOYVAYMEDK-UHFFFAOYSA-N 1 0 235.758 3.930 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000125991551 176143236 /nfs/dbraw/zinc/14/32/36/176143236.db2.gz KYLKAAVIRVBOHK-OCCSQVGLSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000125991760 177137540 /nfs/dbraw/zinc/13/75/40/177137540.db2.gz KYLKAAVIRVBOHK-JSGCOSHPSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000125991989 176123738 /nfs/dbraw/zinc/12/37/38/176123738.db2.gz KYLKAAVIRVBOHK-TZMCWYRMSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000125992161 177123144 /nfs/dbraw/zinc/12/31/44/177123144.db2.gz KYLKAAVIRVBOHK-GXTWGEPZSA-N 1 0 207.361 3.655 20 0 BHADRO Clc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000125992440 324672561 /nfs/dbraw/zinc/67/25/61/324672561.db2.gz XSWALMYSMLYJTO-UHFFFAOYSA-N 1 0 235.758 3.930 20 0 BHADRO c1ccc(COCCCC[NH2+]C2CCCC2)cc1 ZINC000126009015 590214615 /nfs/dbraw/zinc/21/46/15/590214615.db2.gz KYGVLORRYLPESB-UHFFFAOYSA-N 1 0 247.382 3.516 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)s1 ZINC000126010363 387671352 /nfs/dbraw/zinc/67/13/52/387671352.db2.gz AXPXBXVRJWEKGF-GHMZBOCLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)s1 ZINC000126010607 387671640 /nfs/dbraw/zinc/67/16/40/387671640.db2.gz AXPXBXVRJWEKGF-WDEREUQCSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)s1 ZINC000126010832 387671213 /nfs/dbraw/zinc/67/12/13/387671213.db2.gz AXPXBXVRJWEKGF-MNOVXSKESA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)s1 ZINC000126011078 387671762 /nfs/dbraw/zinc/67/17/62/387671762.db2.gz AXPXBXVRJWEKGF-QWRGUYRKSA-N 1 0 238.400 3.681 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126012727 590214402 /nfs/dbraw/zinc/21/44/02/590214402.db2.gz YFTWYTODZKYNNW-NSHDSACASA-N 1 0 226.389 3.682 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000126012968 590215028 /nfs/dbraw/zinc/21/50/28/590215028.db2.gz YFTWYTODZKYNNW-LLVKDONJSA-N 1 0 226.389 3.682 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000126015963 384728462 /nfs/dbraw/zinc/72/84/62/384728462.db2.gz DVKPLFLSYYHALH-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000126016193 384725835 /nfs/dbraw/zinc/72/58/35/384725835.db2.gz DVKPLFLSYYHALH-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO C[N@H+](CCCF)CCc1cccc2ccccc21 ZINC000126032702 388687562 /nfs/dbraw/zinc/68/75/62/388687562.db2.gz ZLAHCZDRJMUMOP-UHFFFAOYSA-N 1 0 245.341 3.674 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC(OC(C)C)CC1 ZINC000126037248 490479934 /nfs/dbraw/zinc/47/99/34/490479934.db2.gz VHPVKHJUOBRAQO-WLYUNCDWSA-N 1 0 241.419 3.891 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC(OC(C)C)CC1 ZINC000126037472 490480158 /nfs/dbraw/zinc/48/01/58/490480158.db2.gz VHPVKHJUOBRAQO-NFOMZHRRSA-N 1 0 241.419 3.891 20 0 BHADRO CC[C@@H](CSc1ccccc1)[NH2+]C(C)C ZINC000126041958 388687538 /nfs/dbraw/zinc/68/75/38/388687538.db2.gz KNMGVOYFNGKLPT-LBPRGKRZSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+]C(C)C ZINC000126042233 388687141 /nfs/dbraw/zinc/68/71/41/388687141.db2.gz KNMGVOYFNGKLPT-GFCCVEGCSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccoc1 ZINC000126088712 388688259 /nfs/dbraw/zinc/68/82/59/388688259.db2.gz KVUMVCBSFKRBPZ-NSHDSACASA-N 1 0 249.379 3.970 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccoc1 ZINC000126088939 388688100 /nfs/dbraw/zinc/68/81/00/388688100.db2.gz KVUMVCBSFKRBPZ-LLVKDONJSA-N 1 0 249.379 3.970 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccco1 ZINC000126095443 388688231 /nfs/dbraw/zinc/68/82/31/388688231.db2.gz AERDCQPKCHSQAG-NSHDSACASA-N 1 0 249.379 3.970 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccco1 ZINC000126095687 388688966 /nfs/dbraw/zinc/68/89/66/388688966.db2.gz AERDCQPKCHSQAG-LLVKDONJSA-N 1 0 249.379 3.970 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CC=CCC1)c1cccs1 ZINC000126105557 324679270 /nfs/dbraw/zinc/67/92/70/324679270.db2.gz FPBUQWIZYZSBKO-ZDUSSCGKSA-N 1 0 249.423 3.972 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000126105705 388688847 /nfs/dbraw/zinc/68/88/47/388688847.db2.gz FPBUQWIZYZSBKO-CYBMUJFWSA-N 1 0 249.423 3.972 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CCCC(C)C)s1 ZINC000126115030 344169187 /nfs/dbraw/zinc/16/91/87/344169187.db2.gz GJNIRAUXCZOOQD-LLVKDONJSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CCCC(C)C)s1 ZINC000126115260 384738777 /nfs/dbraw/zinc/73/87/77/384738777.db2.gz GJNIRAUXCZOOQD-NSHDSACASA-N 1 0 226.389 3.538 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)C)CCC2 ZINC000126129290 384738229 /nfs/dbraw/zinc/73/82/29/384738229.db2.gz RGTNVDLYGOIIBY-OAHLLOKOSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)C)CCC2 ZINC000126129516 384738290 /nfs/dbraw/zinc/73/82/90/384738290.db2.gz RGTNVDLYGOIIBY-HNNXBMFYSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000126131094 387674479 /nfs/dbraw/zinc/67/44/79/387674479.db2.gz WGELNVILFDSOKV-IUODEOHRSA-N 1 0 217.356 3.761 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000126131319 171347058 /nfs/dbraw/zinc/34/70/58/171347058.db2.gz WGELNVILFDSOKV-SWLSCSKDSA-N 1 0 217.356 3.761 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000126131527 387673100 /nfs/dbraw/zinc/67/31/00/387673100.db2.gz WGELNVILFDSOKV-DOMZBBRYSA-N 1 0 217.356 3.761 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000126131732 171348779 /nfs/dbraw/zinc/34/87/79/171348779.db2.gz WGELNVILFDSOKV-WFASDCNBSA-N 1 0 217.356 3.761 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000126132260 590235797 /nfs/dbraw/zinc/23/57/97/590235797.db2.gz NHOAFDAOMUEIEF-LLVKDONJSA-N 1 0 240.778 3.793 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000126132510 590236046 /nfs/dbraw/zinc/23/60/46/590236046.db2.gz NHOAFDAOMUEIEF-NSHDSACASA-N 1 0 240.778 3.793 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000126137158 590237414 /nfs/dbraw/zinc/23/74/14/590237414.db2.gz FJLPRGJUURPSPD-LLVKDONJSA-N 1 0 240.778 3.649 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000126137395 590237073 /nfs/dbraw/zinc/23/70/73/590237073.db2.gz FJLPRGJUURPSPD-NSHDSACASA-N 1 0 240.778 3.649 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000126140140 343679928 /nfs/dbraw/zinc/67/99/28/343679928.db2.gz NMYGDWHZCJHXPI-KBPBESRZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000126140404 343680301 /nfs/dbraw/zinc/68/03/01/343680301.db2.gz NMYGDWHZCJHXPI-KGLIPLIRSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000126140608 343680323 /nfs/dbraw/zinc/68/03/23/343680323.db2.gz NMYGDWHZCJHXPI-UONOGXRCSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000126140832 343680259 /nfs/dbraw/zinc/68/02/59/343680259.db2.gz NMYGDWHZCJHXPI-ZIAGYGMSSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)(C[NH2+]C(C1CC1)C1CC1)c1cccs1 ZINC000126140944 388688822 /nfs/dbraw/zinc/68/88/22/388688822.db2.gz FOVFFFQSJCJPQJ-UHFFFAOYSA-N 1 0 249.423 3.804 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000126176160 590246071 /nfs/dbraw/zinc/24/60/71/590246071.db2.gz SALJNGCGOYESGK-CYBMUJFWSA-N 1 0 205.345 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000126176379 590245890 /nfs/dbraw/zinc/24/58/90/590245890.db2.gz SALJNGCGOYESGK-ZDUSSCGKSA-N 1 0 205.345 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CC1CCCC1 ZINC000126178435 324684893 /nfs/dbraw/zinc/68/48/93/324684893.db2.gz CISZNQUVRMYZIC-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)CC1CC1 ZINC000126191807 590246886 /nfs/dbraw/zinc/24/68/86/590246886.db2.gz ZEQXUXURWACCQP-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)CC1CC1 ZINC000126192046 590246942 /nfs/dbraw/zinc/24/69/42/590246942.db2.gz ZEQXUXURWACCQP-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC=CCC1 ZINC000126196147 388691433 /nfs/dbraw/zinc/69/14/33/388691433.db2.gz OCBUZSQLIOBKBD-AWEZNQCLSA-N 1 0 215.340 3.502 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC=CCC1 ZINC000126196393 324686617 /nfs/dbraw/zinc/68/66/17/324686617.db2.gz OCBUZSQLIOBKBD-CQSZACIVSA-N 1 0 215.340 3.502 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C1CCOCC1 ZINC000126200198 324686706 /nfs/dbraw/zinc/68/67/06/324686706.db2.gz YEIGDMFFRZRZOR-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C1CCOCC1 ZINC000126200618 388691405 /nfs/dbraw/zinc/69/14/05/388691405.db2.gz YEIGDMFFRZRZOR-YDHLFZDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCCCCC[NH2+]CC1=CCCOC1 ZINC000126200899 590252567 /nfs/dbraw/zinc/25/25/67/590252567.db2.gz QKGPVDKSLAYFHL-UHFFFAOYSA-N 1 0 239.403 3.529 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccco2)s1 ZINC000126202465 384780231 /nfs/dbraw/zinc/78/02/31/384780231.db2.gz NLCYWSLUBSNXTO-UHFFFAOYSA-N 1 0 249.379 3.928 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C1CCOCC1 ZINC000126207716 388692557 /nfs/dbraw/zinc/69/25/57/388692557.db2.gz GJJGRUIWOQXRRC-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C1CCOCC1 ZINC000126208108 324687514 /nfs/dbraw/zinc/68/75/14/324687514.db2.gz GJJGRUIWOQXRRC-YDHLFZDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CSCC[NH2+][C@@H](C)c1ccccc1 ZINC000126212491 324687438 /nfs/dbraw/zinc/68/74/38/324687438.db2.gz FMJWXVZCHNHTSD-ZDUSSCGKSA-N 1 0 237.412 3.726 20 0 BHADRO CC(C)CSCC[NH2+][C@H](C)c1ccccc1 ZINC000126212757 388692567 /nfs/dbraw/zinc/69/25/67/388692567.db2.gz FMJWXVZCHNHTSD-CYBMUJFWSA-N 1 0 237.412 3.726 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000126215267 384745217 /nfs/dbraw/zinc/74/52/17/384745217.db2.gz YNWFSSSMTUHTBY-NSHDSACASA-N 1 0 238.400 3.676 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000126215492 187284799 /nfs/dbraw/zinc/28/47/99/187284799.db2.gz YNWFSSSMTUHTBY-LLVKDONJSA-N 1 0 238.400 3.676 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000126218198 388692575 /nfs/dbraw/zinc/69/25/75/388692575.db2.gz YKCAELUIJOUFGM-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000126218369 324689144 /nfs/dbraw/zinc/68/91/44/324689144.db2.gz YKCAELUIJOUFGM-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000126218576 388692822 /nfs/dbraw/zinc/69/28/22/388692822.db2.gz YKCAELUIJOUFGM-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000126218778 324689180 /nfs/dbraw/zinc/68/91/80/324689180.db2.gz YKCAELUIJOUFGM-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccccc1 ZINC000126230382 169512843 /nfs/dbraw/zinc/51/28/43/169512843.db2.gz IFCQUJZGXPAVDW-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccccc1 ZINC000126230649 387677419 /nfs/dbraw/zinc/67/74/19/387677419.db2.gz IFCQUJZGXPAVDW-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](COC)C1CC1)c1ccccc1 ZINC000126230889 387676233 /nfs/dbraw/zinc/67/62/33/387676233.db2.gz IFCQUJZGXPAVDW-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccccc1 ZINC000126231106 387677506 /nfs/dbraw/zinc/67/75/06/387677506.db2.gz IFCQUJZGXPAVDW-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000126239117 388691930 /nfs/dbraw/zinc/69/19/30/388691930.db2.gz VMHLOZINGMNIBJ-JTQLQIEISA-N 1 0 243.803 3.744 20 0 BHADRO CCSCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000126239368 324688488 /nfs/dbraw/zinc/68/84/88/324688488.db2.gz VMHLOZINGMNIBJ-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000126241561 323003039 /nfs/dbraw/zinc/00/30/39/323003039.db2.gz YPDYPGSERATQQT-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CCSCC[NH2+]C(C)(C)CC(C)(C)C ZINC000126247538 324688468 /nfs/dbraw/zinc/68/84/68/324688468.db2.gz RJEOMPMIMBKGSX-UHFFFAOYSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000126253448 322959985 /nfs/dbraw/zinc/95/99/85/322959985.db2.gz WBPVJWDTXWWJBD-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000126253670 324689725 /nfs/dbraw/zinc/68/97/25/324689725.db2.gz WBPVJWDTXWWJBD-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000126253870 388692390 /nfs/dbraw/zinc/69/23/90/388692390.db2.gz WBPVJWDTXWWJBD-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1nc(C)cs1 ZINC000126254123 324690163 /nfs/dbraw/zinc/69/01/63/324690163.db2.gz WBPVJWDTXWWJBD-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000126278457 384787776 /nfs/dbraw/zinc/78/77/76/384787776.db2.gz MLKLDCDBERENRG-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000126278694 171342654 /nfs/dbraw/zinc/34/26/54/171342654.db2.gz MLKLDCDBERENRG-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000126281621 323003289 /nfs/dbraw/zinc/00/32/89/323003289.db2.gz CPOPMHWCKQGNDA-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000126283106 324691308 /nfs/dbraw/zinc/69/13/08/324691308.db2.gz NHUJZIVUTCENLK-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1c[nH+]ccc1NCC(C)(C)c1cccs1 ZINC000126301791 388694048 /nfs/dbraw/zinc/69/40/48/388694048.db2.gz UNVLCHGFUDIJHP-UHFFFAOYSA-N 1 0 246.379 3.841 20 0 BHADRO Cc1cc[nH+]c(NCC(C)(C)c2cccs2)c1 ZINC000126302222 384787438 /nfs/dbraw/zinc/78/74/38/384787438.db2.gz UWJLXBFWOYNUSP-UHFFFAOYSA-N 1 0 246.379 3.841 20 0 BHADRO Cc1cccc(NCC(C)(C)c2cccs2)[nH+]1 ZINC000126303183 179143121 /nfs/dbraw/zinc/14/31/21/179143121.db2.gz HHRSYPPQCUFTND-UHFFFAOYSA-N 1 0 246.379 3.841 20 0 BHADRO CC[N@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000126324711 343510304 /nfs/dbraw/zinc/51/03/04/343510304.db2.gz HLVWISWDVXKZAX-UHFFFAOYSA-N 1 0 246.379 3.570 20 0 BHADRO CC(C)CSCCC[NH2+]C[C@H]1CC=CCC1 ZINC000126325945 387679735 /nfs/dbraw/zinc/67/97/35/387679735.db2.gz DZAWTBMRLPFBEO-AWEZNQCLSA-N 1 0 241.444 3.712 20 0 BHADRO CC(C)CSCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000126326191 188258259 /nfs/dbraw/zinc/25/82/59/188258259.db2.gz DZAWTBMRLPFBEO-CQSZACIVSA-N 1 0 241.444 3.712 20 0 BHADRO CC[N@H+](Cc1coc2ccccc12)C(C)C ZINC000126353633 388695010 /nfs/dbraw/zinc/69/50/10/388695010.db2.gz YJWKAFJKESFZRM-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO CCSc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000126361589 170655340 /nfs/dbraw/zinc/65/53/40/170655340.db2.gz HCYHBAKUYMHPCS-SNVBAGLBSA-N 1 0 221.369 3.612 20 0 BHADRO CCSc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000126361862 170655511 /nfs/dbraw/zinc/65/55/11/170655511.db2.gz HCYHBAKUYMHPCS-JTQLQIEISA-N 1 0 221.369 3.612 20 0 BHADRO CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000126371316 323003444 /nfs/dbraw/zinc/00/34/44/323003444.db2.gz KBTFPAGFLPPCAK-AAEUAGOBSA-N 1 0 221.344 3.633 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(F)cc1)C(C)C ZINC000126375711 388694579 /nfs/dbraw/zinc/69/45/79/388694579.db2.gz AXHPWEDVRWIXBK-AATRIKPKSA-N 1 0 221.319 3.569 20 0 BHADRO CCSc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000126377716 324695702 /nfs/dbraw/zinc/69/57/02/324695702.db2.gz ACVFXCHLZFPDRI-LLVKDONJSA-N 1 0 223.385 3.858 20 0 BHADRO CCSc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000126377957 324695443 /nfs/dbraw/zinc/69/54/43/324695443.db2.gz ACVFXCHLZFPDRI-NSHDSACASA-N 1 0 223.385 3.858 20 0 BHADRO CC[N@H+](Cc1cnc(C2CCC2)s1)C(C)C ZINC000126388793 323003449 /nfs/dbraw/zinc/00/34/49/323003449.db2.gz UQLHWNOZNAHQNP-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC[N@H+](Cc1cc2cc(OC)ccc2o1)C(C)C ZINC000126394886 388694839 /nfs/dbraw/zinc/69/48/39/388694839.db2.gz VPZSNVAPUUGAFL-UHFFFAOYSA-N 1 0 247.338 3.672 20 0 BHADRO CC[N@H+](Cc1cnc(CC(C)C)s1)C(C)C ZINC000126395991 388695571 /nfs/dbraw/zinc/69/55/71/388695571.db2.gz PBSPCXBDWQIFOY-UHFFFAOYSA-N 1 0 240.416 3.572 20 0 BHADRO CC[C@H]([NH2+]CC(CC)(CC)CO)c1ccccc1 ZINC000126414391 387682294 /nfs/dbraw/zinc/68/22/94/387682294.db2.gz VXAZPVHUDOKGLB-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1ccccc1 ZINC000126414614 387683605 /nfs/dbraw/zinc/68/36/05/387683605.db2.gz VXAZPVHUDOKGLB-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000126440047 324697989 /nfs/dbraw/zinc/69/79/89/324697989.db2.gz KCCGFSISJINMBO-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000126440306 388695789 /nfs/dbraw/zinc/69/57/89/388695789.db2.gz KCCGFSISJINMBO-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000126440486 324697641 /nfs/dbraw/zinc/69/76/41/324697641.db2.gz KCCGFSISJINMBO-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000126440690 324697871 /nfs/dbraw/zinc/69/78/71/324697871.db2.gz KCCGFSISJINMBO-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000126483149 388696405 /nfs/dbraw/zinc/69/64/05/388696405.db2.gz DNSUTEUOHUXJSY-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000126483399 324699734 /nfs/dbraw/zinc/69/97/34/324699734.db2.gz DNSUTEUOHUXJSY-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H](COC)C(C)C)C1CCCCC1 ZINC000126486224 324699552 /nfs/dbraw/zinc/69/95/52/324699552.db2.gz UPNAHSZBWQBFAU-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)C1CCCCC1 ZINC000126486476 323003668 /nfs/dbraw/zinc/00/36/68/323003668.db2.gz UPNAHSZBWQBFAU-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](COC)C(C)C)C1CCCCC1 ZINC000126486688 324699780 /nfs/dbraw/zinc/69/97/80/324699780.db2.gz UPNAHSZBWQBFAU-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](COC)C(C)C)C1CCCCC1 ZINC000126486910 324699424 /nfs/dbraw/zinc/69/94/24/324699424.db2.gz UPNAHSZBWQBFAU-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000126503693 324700974 /nfs/dbraw/zinc/70/09/74/324700974.db2.gz WTHZGWYZDFIPFY-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000126503894 323003860 /nfs/dbraw/zinc/00/38/60/323003860.db2.gz WTHZGWYZDFIPFY-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO CCc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000126515946 324701977 /nfs/dbraw/zinc/70/19/77/324701977.db2.gz WRRFXDUZJTXLRI-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000126516154 324701775 /nfs/dbraw/zinc/70/17/75/324701775.db2.gz WRRFXDUZJTXLRI-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1C ZINC000126516816 324701803 /nfs/dbraw/zinc/70/18/03/324701803.db2.gz DUVYEIMTHIHBQL-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1C ZINC000126517034 324702063 /nfs/dbraw/zinc/70/20/63/324702063.db2.gz DUVYEIMTHIHBQL-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1C ZINC000126517261 388697394 /nfs/dbraw/zinc/69/73/94/388697394.db2.gz WDNKWMQTQMGOCC-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1C ZINC000126517517 323003823 /nfs/dbraw/zinc/00/38/23/323003823.db2.gz WDNKWMQTQMGOCC-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO C[C@]1(C[NH2+]C/C=C/c2ccccc2)CCCS1 ZINC000126520579 388697417 /nfs/dbraw/zinc/69/74/17/388697417.db2.gz UHSAZARLYPIBST-FUVBFXSKSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2)CCCS1 ZINC000126520747 324702006 /nfs/dbraw/zinc/70/20/06/324702006.db2.gz UHSAZARLYPIBST-BOSPYUDASA-N 1 0 247.407 3.575 20 0 BHADRO Cc1ccc(C[NH2+]C[C@]2(C)CCCS2)c(C)c1 ZINC000126521748 324701828 /nfs/dbraw/zinc/70/18/28/324701828.db2.gz PAISRMMLEBAKFI-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCS2)c(C)c1 ZINC000126521906 388697001 /nfs/dbraw/zinc/69/70/01/388697001.db2.gz PAISRMMLEBAKFI-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](COC)C1CC1 ZINC000126553631 590336879 /nfs/dbraw/zinc/33/68/79/590336879.db2.gz JETJUXRBDLEZDA-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](COC)C1CC1 ZINC000126553852 590338059 /nfs/dbraw/zinc/33/80/59/590338059.db2.gz JETJUXRBDLEZDA-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+]C2CCCCCC2)CC1 ZINC000126560342 343712407 /nfs/dbraw/zinc/71/24/07/343712407.db2.gz NZKNYNNUQDKWPE-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000126562357 384784105 /nfs/dbraw/zinc/78/41/05/384784105.db2.gz XMIQTYFDHCPXNM-NSHDSACASA-N 1 0 238.400 3.676 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000126562581 384782960 /nfs/dbraw/zinc/78/29/60/384782960.db2.gz XMIQTYFDHCPXNM-LLVKDONJSA-N 1 0 238.400 3.676 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cscn1 ZINC000126579151 387688635 /nfs/dbraw/zinc/68/86/35/387688635.db2.gz DJFBSKICFUGQNC-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cscn1 ZINC000126579379 387689740 /nfs/dbraw/zinc/68/97/40/387689740.db2.gz DJFBSKICFUGQNC-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cscn1 ZINC000126579593 387688220 /nfs/dbraw/zinc/68/82/20/387688220.db2.gz DJFBSKICFUGQNC-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cscn1 ZINC000126579835 387688990 /nfs/dbraw/zinc/68/89/90/387688990.db2.gz DJFBSKICFUGQNC-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000126592984 323202486 /nfs/dbraw/zinc/20/24/86/323202486.db2.gz PKZJMVJPZWEWEL-OAHLLOKOSA-N 1 0 235.346 3.616 20 0 BHADRO FCCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000126593249 388698184 /nfs/dbraw/zinc/69/81/84/388698184.db2.gz PKZJMVJPZWEWEL-HNNXBMFYSA-N 1 0 235.346 3.616 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1csc(C)n1 ZINC000126597532 490507427 /nfs/dbraw/zinc/50/74/27/490507427.db2.gz LJWWWICGLROJHK-ZWNOBZJWSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1csc(C)n1 ZINC000126597776 490507448 /nfs/dbraw/zinc/50/74/48/490507448.db2.gz LJWWWICGLROJHK-GXFFZTMASA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1csc(C)n1 ZINC000126598009 490507392 /nfs/dbraw/zinc/50/73/92/490507392.db2.gz LJWWWICGLROJHK-MFKMUULPSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1csc(C)n1 ZINC000126598239 490507537 /nfs/dbraw/zinc/50/75/37/490507537.db2.gz LJWWWICGLROJHK-GWCFXTLKSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ccoc1C[NH2+]CCC1=CCCCC1 ZINC000126600915 324705687 /nfs/dbraw/zinc/70/56/87/324705687.db2.gz WIMDRSOEBPRYPE-UHFFFAOYSA-N 1 0 219.328 3.568 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000126608452 388698029 /nfs/dbraw/zinc/69/80/29/388698029.db2.gz RXCYPZZXTTWTIF-WCFLWFBJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000126608890 388698423 /nfs/dbraw/zinc/69/84/23/388698423.db2.gz RXCYPZZXTTWTIF-KGYLQXTDSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCCC(C)C ZINC000126610642 323003972 /nfs/dbraw/zinc/00/39/72/323003972.db2.gz OSVGFGFPAJXCSQ-CYBMUJFWSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1cccc(Cl)c1 ZINC000126611110 387692205 /nfs/dbraw/zinc/69/22/05/387692205.db2.gz CCITUXJVTQCQPF-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1ccoc1C[NH2+]C1CCCCCCC1 ZINC000126612998 590374426 /nfs/dbraw/zinc/37/44/26/590374426.db2.gz QUSJLTQCFIEZSP-UHFFFAOYSA-N 1 0 221.344 3.791 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1occc1C ZINC000126613977 590375024 /nfs/dbraw/zinc/37/50/24/590375024.db2.gz STCIZUVAKWULEL-GFCCVEGCSA-N 1 0 209.333 3.646 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1occc1C ZINC000126614206 590374960 /nfs/dbraw/zinc/37/49/60/590374960.db2.gz STCIZUVAKWULEL-LBPRGKRZSA-N 1 0 209.333 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CCC(C)C ZINC000126614457 384792597 /nfs/dbraw/zinc/79/25/97/384792597.db2.gz VODVHCINJDXXKL-LBPRGKRZSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCC(C)C ZINC000126614699 384794405 /nfs/dbraw/zinc/79/44/05/384794405.db2.gz VODVHCINJDXXKL-GFCCVEGCSA-N 1 0 209.333 3.502 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1occc1C ZINC000126618503 324707072 /nfs/dbraw/zinc/70/70/72/324707072.db2.gz PCAYFTYYGVVHQU-CYBMUJFWSA-N 1 0 223.360 3.894 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1occc1C ZINC000126618729 323004023 /nfs/dbraw/zinc/00/40/23/323004023.db2.gz PCAYFTYYGVVHQU-ZDUSSCGKSA-N 1 0 223.360 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000126621643 179526095 /nfs/dbraw/zinc/52/60/95/179526095.db2.gz MYHZHHPLZAYDDY-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1cccs1 ZINC000126623338 384788572 /nfs/dbraw/zinc/78/85/72/384788572.db2.gz VCLSYHJVLKXXIP-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1cccs1 ZINC000126623582 384790282 /nfs/dbraw/zinc/79/02/82/384790282.db2.gz VCLSYHJVLKXXIP-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(Cl)s1 ZINC000126647056 384794274 /nfs/dbraw/zinc/79/42/74/384794274.db2.gz QQCNBLNKWKFPFM-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO Cc1ccoc1C[NH2+]CCC1CCCCC1 ZINC000126648503 388699509 /nfs/dbraw/zinc/69/95/09/388699509.db2.gz AWZYPNZFWQVXKW-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1occc1C ZINC000126652919 324709015 /nfs/dbraw/zinc/70/90/15/324709015.db2.gz ZZNXXPPBYPLDNF-OLZOCXBDSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1occc1C ZINC000126653065 388699787 /nfs/dbraw/zinc/69/97/87/388699787.db2.gz ZZNXXPPBYPLDNF-STQMWFEESA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1occc1C ZINC000126653262 324708986 /nfs/dbraw/zinc/70/89/86/324708986.db2.gz ZZNXXPPBYPLDNF-CHWSQXEVSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1occc1C ZINC000126653423 388699978 /nfs/dbraw/zinc/69/99/78/388699978.db2.gz ZZNXXPPBYPLDNF-QWHCGFSZSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000126653615 388699439 /nfs/dbraw/zinc/69/94/39/388699439.db2.gz WQMCBNSVMDURMN-UHFFFAOYSA-N 1 0 223.360 3.892 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000126680651 324709772 /nfs/dbraw/zinc/70/97/72/324709772.db2.gz WLFXKWVVBZDRFM-IWMBGFJWSA-N 1 0 223.404 3.837 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000126680911 324710005 /nfs/dbraw/zinc/71/00/05/324710005.db2.gz WLFXKWVVBZDRFM-MRFVTOPCSA-N 1 0 223.404 3.837 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000126681146 388699363 /nfs/dbraw/zinc/69/93/63/388699363.db2.gz WLFXKWVVBZDRFM-KBHBFKLGSA-N 1 0 223.404 3.837 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000126681375 324709964 /nfs/dbraw/zinc/70/99/64/324709964.db2.gz WLFXKWVVBZDRFM-FEPKRQSRSA-N 1 0 223.404 3.837 20 0 BHADRO CCC[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126687040 388699371 /nfs/dbraw/zinc/69/93/71/388699371.db2.gz NOSCOANMIYVOSY-OAHLLOKOSA-N 1 0 246.398 3.827 20 0 BHADRO CCC[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126687310 388699622 /nfs/dbraw/zinc/69/96/22/388699622.db2.gz NOSCOANMIYVOSY-HNNXBMFYSA-N 1 0 246.398 3.827 20 0 BHADRO CCC1CCC([NH2+]Cc2occc2C)CC1 ZINC000126689336 387692038 /nfs/dbraw/zinc/69/20/38/387692038.db2.gz OHGUNHSFNUMPJU-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]([NH2+]Cc1occc1C)c1cccs1 ZINC000126698346 387692162 /nfs/dbraw/zinc/69/21/62/387692162.db2.gz DXVKZLKUDYEFKN-NSHDSACASA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@@H]([NH2+]Cc1occc1C)c1cccs1 ZINC000126698576 358553047 /nfs/dbraw/zinc/55/30/47/358553047.db2.gz DXVKZLKUDYEFKN-LLVKDONJSA-N 1 0 235.352 3.890 20 0 BHADRO CC(C)C1CCC([NH2+]Cc2ccoc2)CC1 ZINC000126706182 388699700 /nfs/dbraw/zinc/69/97/00/388699700.db2.gz MIKCBKXTMABLAB-UHFFFAOYSA-N 1 0 221.344 3.584 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2occc2C)s1 ZINC000126711949 384822502 /nfs/dbraw/zinc/82/25/02/384822502.db2.gz RNHIAULGEKXZNM-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2occc2C)s1 ZINC000126712181 384824128 /nfs/dbraw/zinc/82/41/28/384824128.db2.gz RNHIAULGEKXZNM-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccoc1C[NH2+]CC1CCC(C)CC1 ZINC000126712380 387696206 /nfs/dbraw/zinc/69/62/06/387696206.db2.gz FTXNVVPNJSKQAQ-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)C1CC1 ZINC000126718041 487837322 /nfs/dbraw/zinc/83/73/22/487837322.db2.gz SDPSJTLCWNKEPO-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)(C)CC1)C1CC1 ZINC000126718288 487837502 /nfs/dbraw/zinc/83/75/02/487837502.db2.gz SDPSJTLCWNKEPO-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000126720865 345134827 /nfs/dbraw/zinc/13/48/27/345134827.db2.gz PEGIZLXHUDOHGL-DNOWBOINSA-N 1 0 223.404 3.837 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@H](C)C2CC2)CC1 ZINC000126721055 371546040 /nfs/dbraw/zinc/54/60/40/371546040.db2.gz PEGIZLXHUDOHGL-OPFPJEHXSA-N 1 0 223.404 3.837 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C2CC2)C1 ZINC000126721297 371546699 /nfs/dbraw/zinc/54/66/99/371546699.db2.gz FUFLVOLTNGTIPL-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C2CC2)C1 ZINC000126721758 371546225 /nfs/dbraw/zinc/54/62/25/371546225.db2.gz FUFLVOLTNGTIPL-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000126722691 324711484 /nfs/dbraw/zinc/71/14/84/324711484.db2.gz WCUVSUJABISYQS-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000126722951 323004239 /nfs/dbraw/zinc/00/42/39/323004239.db2.gz WCUVSUJABISYQS-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000126723154 324711506 /nfs/dbraw/zinc/71/15/06/324711506.db2.gz WCUVSUJABISYQS-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000126723371 388700540 /nfs/dbraw/zinc/70/05/40/388700540.db2.gz WCUVSUJABISYQS-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1n[nH]c(C)c1C[N@@H+](C)C1CCCCCCC1 ZINC000126734867 590428865 /nfs/dbraw/zinc/42/88/65/590428865.db2.gz NVYWQRAVJNMCAP-UHFFFAOYSA-N 1 0 249.402 3.571 20 0 BHADRO CC1(C)CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000126737526 167890481 /nfs/dbraw/zinc/89/04/81/167890481.db2.gz CKLBKCWBKWKWBZ-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO CC1(C)CCC(C[NH2+]Cc2ccco2)CC1 ZINC000126737781 387695985 /nfs/dbraw/zinc/69/59/85/387695985.db2.gz AOCYNPGJCQBRQC-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccco1 ZINC000126745914 387694545 /nfs/dbraw/zinc/69/45/45/387694545.db2.gz AGFAAAWGBUADFX-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccco1 ZINC000126746143 387695373 /nfs/dbraw/zinc/69/53/73/387695373.db2.gz AGFAAAWGBUADFX-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1cccs1)C1CC1 ZINC000126765388 387696018 /nfs/dbraw/zinc/69/60/18/387696018.db2.gz AFQIHAIFULEKQI-JTQLQIEISA-N 1 0 221.369 3.511 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1cccs1)C1CC1 ZINC000126765621 387694734 /nfs/dbraw/zinc/69/47/34/387694734.db2.gz AFQIHAIFULEKQI-SNVBAGLBSA-N 1 0 221.369 3.511 20 0 BHADRO CC(C)C1CCC([NH2+]C2CCSCC2)CC1 ZINC000126780403 388702463 /nfs/dbraw/zinc/70/24/63/388702463.db2.gz CSVVETBCRPKVQE-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126786236 169276033 /nfs/dbraw/zinc/27/60/33/169276033.db2.gz ANTLQQYUZKLMEF-ZETCQYMHSA-N 1 0 247.169 3.636 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126786488 169287528 /nfs/dbraw/zinc/28/75/28/169287528.db2.gz ANTLQQYUZKLMEF-SSDOTTSWSA-N 1 0 247.169 3.636 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126797010 168391300 /nfs/dbraw/zinc/39/13/00/168391300.db2.gz ZMBPLYJEPMVCKV-VIFPVBQESA-N 1 0 226.751 3.574 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126797244 168392945 /nfs/dbraw/zinc/39/29/45/168392945.db2.gz ZMBPLYJEPMVCKV-SECBINFHSA-N 1 0 226.751 3.574 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126804084 590457703 /nfs/dbraw/zinc/45/77/03/590457703.db2.gz YIMXNLNLPFUBOJ-NSHDSACASA-N 1 0 240.778 3.966 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126804294 590457525 /nfs/dbraw/zinc/45/75/25/590457525.db2.gz YIMXNLNLPFUBOJ-LLVKDONJSA-N 1 0 240.778 3.966 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126811083 384806998 /nfs/dbraw/zinc/80/69/98/384806998.db2.gz YOYHWRFECHYJGQ-JTQLQIEISA-N 1 0 226.751 3.576 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126811278 384807270 /nfs/dbraw/zinc/80/72/70/384807270.db2.gz YOYHWRFECHYJGQ-SNVBAGLBSA-N 1 0 226.751 3.576 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)nc1 ZINC000126812040 384832746 /nfs/dbraw/zinc/83/27/46/384832746.db2.gz NRMQTZIESDLZCY-JTQLQIEISA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)nc1 ZINC000126812307 175860575 /nfs/dbraw/zinc/86/05/75/175860575.db2.gz NRMQTZIESDLZCY-SNVBAGLBSA-N 1 0 238.762 3.718 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126825868 590463490 /nfs/dbraw/zinc/46/34/90/590463490.db2.gz UBJRYQFUHNBZKI-NSHDSACASA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126826106 590463241 /nfs/dbraw/zinc/46/32/41/590463241.db2.gz UBJRYQFUHNBZKI-LLVKDONJSA-N 1 0 240.778 3.822 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000126827723 387697244 /nfs/dbraw/zinc/69/72/44/387697244.db2.gz WRJSWBBCVYQPHI-WCFLWFBJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000126828127 387697409 /nfs/dbraw/zinc/69/74/09/387697409.db2.gz WRJSWBBCVYQPHI-KGYLQXTDSA-N 1 0 221.344 3.502 20 0 BHADRO CC1(C)CCC([NH2+]CC2CCSCC2)CC1 ZINC000126832312 387698178 /nfs/dbraw/zinc/69/81/78/387698178.db2.gz IFRSPROVMAWBMP-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCC1CCC([NH2+]CC2CCSCC2)CC1 ZINC000126834000 388705939 /nfs/dbraw/zinc/70/59/39/388705939.db2.gz MKZIJIMFRZESLI-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000126834234 388705651 /nfs/dbraw/zinc/70/56/51/388705651.db2.gz AYPUNRFBBJSBHO-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000126834418 388706051 /nfs/dbraw/zinc/70/60/51/388706051.db2.gz AYPUNRFBBJSBHO-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000126834642 388705338 /nfs/dbraw/zinc/70/53/38/388705338.db2.gz AYPUNRFBBJSBHO-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000126834878 324723925 /nfs/dbraw/zinc/72/39/25/324723925.db2.gz AYPUNRFBBJSBHO-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126836515 384811051 /nfs/dbraw/zinc/81/10/51/384811051.db2.gz NYXIBIFDIQDNSW-MXWKQRLJSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126836724 171367010 /nfs/dbraw/zinc/36/70/10/171367010.db2.gz NYXIBIFDIQDNSW-AXFHLTTASA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126836996 384812164 /nfs/dbraw/zinc/81/21/64/384812164.db2.gz NYXIBIFDIQDNSW-VWYCJHECSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126837232 171390404 /nfs/dbraw/zinc/39/04/04/171390404.db2.gz NYXIBIFDIQDNSW-DCAQKATOSA-N 1 0 240.778 3.820 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126845974 590473882 /nfs/dbraw/zinc/47/38/82/590473882.db2.gz OXSVCEZPRCBCHZ-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126846177 590473874 /nfs/dbraw/zinc/47/38/74/590473874.db2.gz OXSVCEZPRCBCHZ-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CCCF)cc1F ZINC000126846361 344184714 /nfs/dbraw/zinc/18/47/14/344184714.db2.gz JQRWGZJNURGWLI-VIFPVBQESA-N 1 0 245.338 3.558 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CCCF)cc1F ZINC000126846551 344184726 /nfs/dbraw/zinc/18/47/26/344184726.db2.gz JQRWGZJNURGWLI-SECBINFHSA-N 1 0 245.338 3.558 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(C)(C)C ZINC000126850216 590474289 /nfs/dbraw/zinc/47/42/89/590474289.db2.gz NJIUXHXDXHTSIW-VHSXEESVSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(Cl)nc1 ZINC000126850420 590474103 /nfs/dbraw/zinc/47/41/03/590474103.db2.gz NJIUXHXDXHTSIW-NXEZZACHSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cc2c(s1)CCCC2 ZINC000126851811 324724954 /nfs/dbraw/zinc/72/49/54/324724954.db2.gz LZYVQJZHOKUVOH-JTQLQIEISA-N 1 0 241.375 3.637 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cc2c(s1)CCCC2 ZINC000126852011 324724946 /nfs/dbraw/zinc/72/49/46/324724946.db2.gz LZYVQJZHOKUVOH-SNVBAGLBSA-N 1 0 241.375 3.637 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1 ZINC000126855377 387698222 /nfs/dbraw/zinc/69/82/22/387698222.db2.gz IYKCLEYAACUZRK-VIFPVBQESA-N 1 0 249.251 3.716 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1 ZINC000126855613 387698033 /nfs/dbraw/zinc/69/80/33/387698033.db2.gz IYKCLEYAACUZRK-SECBINFHSA-N 1 0 249.251 3.716 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+]CCCF)cc1C ZINC000126857422 345143411 /nfs/dbraw/zinc/14/34/11/345143411.db2.gz SGRUWZWPAUTJMI-CYBMUJFWSA-N 1 0 223.335 3.622 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+]CCCF)cc1C ZINC000126857692 343715637 /nfs/dbraw/zinc/71/56/37/343715637.db2.gz SGRUWZWPAUTJMI-ZDUSSCGKSA-N 1 0 223.335 3.622 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc(C(F)(F)F)cc1 ZINC000126857930 387053038 /nfs/dbraw/zinc/05/30/38/387053038.db2.gz NRHAAESIQMIHAB-VIFPVBQESA-N 1 0 249.251 3.716 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc(C(F)(F)F)cc1 ZINC000126858182 387053613 /nfs/dbraw/zinc/05/36/13/387053613.db2.gz NRHAAESIQMIHAB-SECBINFHSA-N 1 0 249.251 3.716 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCF ZINC000126861630 388706592 /nfs/dbraw/zinc/70/65/92/388706592.db2.gz ORYIUYYHGRLEGJ-LLVKDONJSA-N 1 0 235.302 3.751 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCF ZINC000126861895 324726004 /nfs/dbraw/zinc/72/60/04/324726004.db2.gz ORYIUYYHGRLEGJ-NSHDSACASA-N 1 0 235.302 3.751 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126868250 590477496 /nfs/dbraw/zinc/47/74/96/590477496.db2.gz SWEBWLIQEPVTBW-QWRGUYRKSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126868497 590476834 /nfs/dbraw/zinc/47/68/34/590476834.db2.gz SWEBWLIQEPVTBW-MNOVXSKESA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126868738 590476873 /nfs/dbraw/zinc/47/68/73/590476873.db2.gz SWEBWLIQEPVTBW-WDEREUQCSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126868965 590477587 /nfs/dbraw/zinc/47/75/87/590477587.db2.gz SWEBWLIQEPVTBW-GHMZBOCLSA-N 1 0 240.778 3.678 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCCF)c2ccsc2S1 ZINC000126871113 343716319 /nfs/dbraw/zinc/71/63/19/343716319.db2.gz LOGRBSYHRMPSNA-WPRPVWTQSA-N 1 0 245.388 3.623 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCCF)c2ccsc2S1 ZINC000126871320 343716308 /nfs/dbraw/zinc/71/63/08/343716308.db2.gz LOGRBSYHRMPSNA-WCBMZHEXSA-N 1 0 245.388 3.623 20 0 BHADRO C[C@@H]([NH2+]CCCF)[C@@H](C)C1CCCCC1 ZINC000126873021 324729234 /nfs/dbraw/zinc/72/92/34/324729234.db2.gz AYAGIGWEBGEXGT-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCF)[C@H](C)C1CCCCC1 ZINC000126873309 388706802 /nfs/dbraw/zinc/70/68/02/388706802.db2.gz AYAGIGWEBGEXGT-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]([NH2+]CCCF)[C@@H](C)C1CCCCC1 ZINC000126873580 324729161 /nfs/dbraw/zinc/72/91/61/324729161.db2.gz AYAGIGWEBGEXGT-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]CCCF)C1CCCCC1 ZINC000126873819 324729386 /nfs/dbraw/zinc/72/93/86/324729386.db2.gz AYAGIGWEBGEXGT-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC1)CC2 ZINC000126887147 322960320 /nfs/dbraw/zinc/96/03/20/322960320.db2.gz WHUCFIBPCKLFKZ-NSHDSACASA-N 1 0 242.149 3.733 20 0 BHADRO Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC1)CC2 ZINC000126887396 388708377 /nfs/dbraw/zinc/70/83/77/388708377.db2.gz WHUCFIBPCKLFKZ-LLVKDONJSA-N 1 0 242.149 3.733 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cccc2ccccc21 ZINC000126900631 384840919 /nfs/dbraw/zinc/84/09/19/384840919.db2.gz ICSAEMDUPWJKBG-LBPRGKRZSA-N 1 0 231.314 3.850 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cccc2ccccc21 ZINC000126900860 384842882 /nfs/dbraw/zinc/84/28/82/384842882.db2.gz ICSAEMDUPWJKBG-GFCCVEGCSA-N 1 0 231.314 3.850 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CCCF)cc1 ZINC000126905296 343717142 /nfs/dbraw/zinc/71/71/42/343717142.db2.gz VHKRKXMUYDRBOA-CQSZACIVSA-N 1 0 223.335 3.649 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CCCF)cc1 ZINC000126905515 343717521 /nfs/dbraw/zinc/71/75/21/343717521.db2.gz VHKRKXMUYDRBOA-AWEZNQCLSA-N 1 0 223.335 3.649 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccs1 ZINC000126905751 590493667 /nfs/dbraw/zinc/49/36/67/590493667.db2.gz PMKBBGFRPXMHMR-CQSZACIVSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccs1 ZINC000126906034 590494029 /nfs/dbraw/zinc/49/40/29/590494029.db2.gz PMKBBGFRPXMHMR-AWEZNQCLSA-N 1 0 247.338 3.664 20 0 BHADRO CSCCCC[NH2+]C1CCC(C)(C)CC1 ZINC000126906089 384828351 /nfs/dbraw/zinc/82/83/51/384828351.db2.gz UUPUDUSXSGKJJA-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000126906757 324732321 /nfs/dbraw/zinc/73/23/21/324732321.db2.gz GNELPDPYNNBTTO-GFCCVEGCSA-N 1 0 223.335 3.649 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000126906957 388707780 /nfs/dbraw/zinc/70/77/80/388707780.db2.gz GNELPDPYNNBTTO-LBPRGKRZSA-N 1 0 223.335 3.649 20 0 BHADRO CCC1CCC([NH2+]CCCCSC)CC1 ZINC000126908932 324732672 /nfs/dbraw/zinc/73/26/72/324732672.db2.gz PKBKELKEMMOZMC-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000126909168 388707897 /nfs/dbraw/zinc/70/78/97/388707897.db2.gz XPLZTDYTVNLUCU-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCCSC)C1 ZINC000126909417 384827390 /nfs/dbraw/zinc/82/73/90/384827390.db2.gz GWASCOMFHPMJEG-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCCSC)C1 ZINC000126909620 324732004 /nfs/dbraw/zinc/73/20/04/324732004.db2.gz GWASCOMFHPMJEG-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccccc1C(F)(F)F ZINC000126909775 398097082 /nfs/dbraw/zinc/09/70/82/398097082.db2.gz LZTXVWOEPCTZED-VIFPVBQESA-N 1 0 249.251 3.716 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCSC)C1 ZINC000126909851 388707766 /nfs/dbraw/zinc/70/77/66/388707766.db2.gz GWASCOMFHPMJEG-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccccc1C(F)(F)F ZINC000126909988 398097180 /nfs/dbraw/zinc/09/71/80/398097180.db2.gz LZTXVWOEPCTZED-SECBINFHSA-N 1 0 249.251 3.716 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCCSC)C1 ZINC000126910098 324732368 /nfs/dbraw/zinc/73/23/68/324732368.db2.gz GWASCOMFHPMJEG-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCF)c1ccccc1 ZINC000126912158 188441095 /nfs/dbraw/zinc/44/10/95/188441095.db2.gz BHBDBGPBWFWFAC-AWEZNQCLSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000126912396 398097116 /nfs/dbraw/zinc/09/71/16/398097116.db2.gz BHBDBGPBWFWFAC-CQSZACIVSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCF)c1cccs1 ZINC000126912577 388708075 /nfs/dbraw/zinc/70/80/75/388708075.db2.gz KEXUJSXRKKGZMA-NSHDSACASA-N 1 0 229.364 3.785 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCF)c1cccs1 ZINC000126912801 388708565 /nfs/dbraw/zinc/70/85/65/388708565.db2.gz KEXUJSXRKKGZMA-LLVKDONJSA-N 1 0 229.364 3.785 20 0 BHADRO CC1(C)CCC([NH2+]CCCC2CC2)CC1 ZINC000126913498 342804813 /nfs/dbraw/zinc/80/48/13/342804813.db2.gz GJLVRXUZJKCGAX-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1CCC([NH2+]CCCC2CC2)CC1 ZINC000126915183 342804401 /nfs/dbraw/zinc/80/44/01/342804401.db2.gz IOBWGCMRAKLHKV-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)C1CCC([NH2+]CCCC2CC2)CC1 ZINC000126915417 342804358 /nfs/dbraw/zinc/80/43/58/342804358.db2.gz SDSAUQOKMZZADJ-UHFFFAOYSA-N 1 0 223.404 3.981 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 ZINC000126915654 324732209 /nfs/dbraw/zinc/73/22/09/324732209.db2.gz UAEKJWKHPHNMLH-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 ZINC000126915892 388709790 /nfs/dbraw/zinc/70/97/90/388709790.db2.gz UAEKJWKHPHNMLH-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 ZINC000126916172 388709403 /nfs/dbraw/zinc/70/94/03/388709403.db2.gz UAEKJWKHPHNMLH-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 ZINC000126916443 388709738 /nfs/dbraw/zinc/70/97/38/388709738.db2.gz UAEKJWKHPHNMLH-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccco1 ZINC000126916698 590496575 /nfs/dbraw/zinc/49/65/75/590496575.db2.gz HPBQUVSBXMTPMD-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000126924724 590507712 /nfs/dbraw/zinc/50/77/12/590507712.db2.gz TWUJSFGPGXCVAP-CQSZACIVSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000126924948 590508075 /nfs/dbraw/zinc/50/80/75/590508075.db2.gz TWUJSFGPGXCVAP-AWEZNQCLSA-N 1 0 234.387 3.839 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCCC(C)C)nc1 ZINC000126928791 324733424 /nfs/dbraw/zinc/73/34/24/324733424.db2.gz DZKCNQCLUSSABR-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCCC(C)C)nc1 ZINC000126929010 346357317 /nfs/dbraw/zinc/35/73/17/346357317.db2.gz DZKCNQCLUSSABR-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccoc1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000126930170 387700628 /nfs/dbraw/zinc/70/06/28/387700628.db2.gz MXFPTEAJZCFPEW-QWRGUYRKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000126930393 387700996 /nfs/dbraw/zinc/70/09/96/387700996.db2.gz MXFPTEAJZCFPEW-GHMZBOCLSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+]CCCCC(C)C ZINC000126930679 590508891 /nfs/dbraw/zinc/50/88/91/590508891.db2.gz GBTABJAJXKJBMK-UHFFFAOYSA-N 1 0 209.333 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCCCCC2)nc1 ZINC000126931571 590509205 /nfs/dbraw/zinc/50/92/05/590509205.db2.gz VXHLMBRUBUUZGB-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(C)cn1 ZINC000126933236 324733555 /nfs/dbraw/zinc/73/35/55/324733555.db2.gz IHNXGMBMIHZBHD-CQSZACIVSA-N 1 0 234.387 3.696 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccc(C)cn1 ZINC000126933457 345147102 /nfs/dbraw/zinc/14/71/02/345147102.db2.gz IHNXGMBMIHZBHD-AWEZNQCLSA-N 1 0 234.387 3.696 20 0 BHADRO CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCF ZINC000126934534 490525749 /nfs/dbraw/zinc/52/57/49/490525749.db2.gz RJFKVEVFVIVRRS-OAHLLOKOSA-N 1 0 237.362 3.593 20 0 BHADRO CC(C)[C@H](CCc1ccccc1)[NH2+]CCCF ZINC000126934739 490525840 /nfs/dbraw/zinc/52/58/40/490525840.db2.gz RJFKVEVFVIVRRS-HNNXBMFYSA-N 1 0 237.362 3.593 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2C)nc1 ZINC000126938616 388709151 /nfs/dbraw/zinc/70/91/51/388709151.db2.gz FJJLFFHHKNJISW-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1ccc(Cl)s1 ZINC000126938731 384825359 /nfs/dbraw/zinc/82/53/59/384825359.db2.gz YQRWKKZJNIGATA-QMMMGPOBSA-N 1 0 235.755 3.802 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1ccc(Cl)s1 ZINC000126938950 384825573 /nfs/dbraw/zinc/82/55/73/384825573.db2.gz YQRWKKZJNIGATA-MRVPVSSYSA-N 1 0 235.755 3.802 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CCCF)C(C)C)cc1 ZINC000126943329 343718699 /nfs/dbraw/zinc/71/86/99/343718699.db2.gz WQCUVYGEBQPBDI-HNNXBMFYSA-N 1 0 237.362 3.511 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CCCF)C(C)C)cc1 ZINC000126943535 345148035 /nfs/dbraw/zinc/14/80/35/345148035.db2.gz WQCUVYGEBQPBDI-OAHLLOKOSA-N 1 0 237.362 3.511 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCF)C[C@@H](c2ccccc2)C1 ZINC000126946745 388708898 /nfs/dbraw/zinc/70/88/98/388708898.db2.gz NCROPNBHNSPTLX-CWRNSKLLSA-N 1 0 249.373 3.908 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCF)C[C@H](c2ccccc2)C1 ZINC000126947190 324733369 /nfs/dbraw/zinc/73/33/69/324733369.db2.gz NCROPNBHNSPTLX-NUEKZKHPSA-N 1 0 249.373 3.908 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc2ccccc2c1 ZINC000126955407 384846059 /nfs/dbraw/zinc/84/60/59/384846059.db2.gz IGWKNRBDGHHGHT-LBPRGKRZSA-N 1 0 231.314 3.850 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc2ccccc2c1 ZINC000126955661 384845276 /nfs/dbraw/zinc/84/52/76/384845276.db2.gz IGWKNRBDGHHGHT-GFCCVEGCSA-N 1 0 231.314 3.850 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2occc2C)C1 ZINC000126957287 388708918 /nfs/dbraw/zinc/70/89/18/388708918.db2.gz LBOQHSMAHHVAHU-OLZOCXBDSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2occc2C)C1 ZINC000126957523 388709809 /nfs/dbraw/zinc/70/98/09/388709809.db2.gz LBOQHSMAHHVAHU-STQMWFEESA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000126957692 490527966 /nfs/dbraw/zinc/52/79/66/490527966.db2.gz DANWTNOKRRHDIB-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2occc2C)C1 ZINC000126957719 324734393 /nfs/dbraw/zinc/73/43/93/324734393.db2.gz LBOQHSMAHHVAHU-CHWSQXEVSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000126957865 490527915 /nfs/dbraw/zinc/52/79/15/490527915.db2.gz DANWTNOKRRHDIB-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2occc2C)C1 ZINC000126957967 324734347 /nfs/dbraw/zinc/73/43/47/324734347.db2.gz LBOQHSMAHHVAHU-QWHCGFSZSA-N 1 0 221.344 3.646 20 0 BHADRO CCCC[C@H]([NH2+]CCCF)c1ccccc1 ZINC000126958691 324734503 /nfs/dbraw/zinc/73/45/03/324734503.db2.gz PFLHNCYQSJQYMH-AWEZNQCLSA-N 1 0 223.335 3.867 20 0 BHADRO CCCC[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000126958891 324734513 /nfs/dbraw/zinc/73/45/13/324734513.db2.gz PFLHNCYQSJQYMH-CQSZACIVSA-N 1 0 223.335 3.867 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000126961066 324734297 /nfs/dbraw/zinc/73/42/97/324734297.db2.gz UDSQQBSFUUJTJJ-LBPRGKRZSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)C1CCCCC1 ZINC000126961316 388709952 /nfs/dbraw/zinc/70/99/52/388709952.db2.gz UDSQQBSFUUJTJJ-GFCCVEGCSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+]C1CCC(C)(C)CC1 ZINC000126961574 387701360 /nfs/dbraw/zinc/70/13/60/387701360.db2.gz HGYPMGKJDFCVIA-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CCC[C@H]([NH2+]CCCF)C1CCCCC1 ZINC000126969068 388709360 /nfs/dbraw/zinc/70/93/60/388709360.db2.gz SINOUEBQOBUVHX-ZDUSSCGKSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@@H]([NH2+]CCCF)C1CCCCC1 ZINC000126969240 388709213 /nfs/dbraw/zinc/70/92/13/388709213.db2.gz SINOUEBQOBUVHX-CYBMUJFWSA-N 1 0 215.356 3.685 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)nc1 ZINC000126969538 324734334 /nfs/dbraw/zinc/73/43/34/324734334.db2.gz IZIKFIBBPKOBIM-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)C1(C)CC1 ZINC000126972068 388709580 /nfs/dbraw/zinc/70/95/80/388709580.db2.gz POUMKIRFMPLDEY-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1(C)CC1 ZINC000126972319 324735568 /nfs/dbraw/zinc/73/55/68/324735568.db2.gz POUMKIRFMPLDEY-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1cccc(Cl)c1 ZINC000126981447 384828739 /nfs/dbraw/zinc/82/87/39/384828739.db2.gz BQUSNRBTEDTOBH-LBPRGKRZSA-N 1 0 229.726 3.740 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1cccc(Cl)c1 ZINC000126981650 384829701 /nfs/dbraw/zinc/82/97/01/384829701.db2.gz BQUSNRBTEDTOBH-GFCCVEGCSA-N 1 0 229.726 3.740 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cn2)cc1 ZINC000126987387 324736522 /nfs/dbraw/zinc/73/65/22/324736522.db2.gz ISOXSNVBCHMSPG-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000126989955 490532541 /nfs/dbraw/zinc/53/25/41/490532541.db2.gz IVVYJUFJIMNFSS-WCQGTBRESA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000126990412 490531607 /nfs/dbraw/zinc/53/16/07/490531607.db2.gz IVVYJUFJIMNFSS-MVWJERBFSA-N 1 0 238.400 3.681 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000126996426 387699495 /nfs/dbraw/zinc/69/94/95/387699495.db2.gz MSCAZLVPERBEAV-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000126996625 387700304 /nfs/dbraw/zinc/70/03/04/387700304.db2.gz MSCAZLVPERBEAV-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc(-c2ccccc2)o1 ZINC000126999503 343719402 /nfs/dbraw/zinc/71/94/02/343719402.db2.gz DRQWCIXBOJSEAQ-LBPRGKRZSA-N 1 0 247.313 3.957 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc(-c2ccccc2)o1 ZINC000126999736 343719094 /nfs/dbraw/zinc/71/90/94/343719094.db2.gz DRQWCIXBOJSEAQ-GFCCVEGCSA-N 1 0 247.313 3.957 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cn1)c1cccs1 ZINC000126999910 388711185 /nfs/dbraw/zinc/71/11/85/388711185.db2.gz MCJUPCOICPWUAH-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cn1)c1cccs1 ZINC000127000151 388710950 /nfs/dbraw/zinc/71/09/50/388710950.db2.gz MCJUPCOICPWUAH-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc2c(c1)CCCC2 ZINC000127003893 324602213 /nfs/dbraw/zinc/60/22/13/324602213.db2.gz XYFWGLJHOJBQBO-LBPRGKRZSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc2c(c1)CCCC2 ZINC000127004110 388657410 /nfs/dbraw/zinc/65/74/10/388657410.db2.gz XYFWGLJHOJBQBO-GFCCVEGCSA-N 1 0 235.346 3.576 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccc(C)cn2)CC1 ZINC000127004827 388658454 /nfs/dbraw/zinc/65/84/54/388658454.db2.gz UMYOIGULMADQID-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1occc1C ZINC000127005594 388659310 /nfs/dbraw/zinc/65/93/10/388659310.db2.gz YZQUCGWIEKXTBU-UHFFFAOYSA-N 1 0 209.333 3.646 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000127014201 387704347 /nfs/dbraw/zinc/70/43/47/387704347.db2.gz KZEGEMHWZTVNJD-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000127014422 358559001 /nfs/dbraw/zinc/55/90/01/358559001.db2.gz KZEGEMHWZTVNJD-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cn1)C1CCCCC1 ZINC000127018186 490533284 /nfs/dbraw/zinc/53/32/84/490533284.db2.gz DVJCQBZVRXBNTN-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cn1)C1CCCCC1 ZINC000127018403 490533181 /nfs/dbraw/zinc/53/31/81/490533181.db2.gz DVJCQBZVRXBNTN-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC1CCC(C[NH2+]Cc2ccc(C)cn2)CC1 ZINC000127022906 388712383 /nfs/dbraw/zinc/71/23/83/388712383.db2.gz KHYCBJBPVIYRHL-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CCC(CC)(CC)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000127022919 490533154 /nfs/dbraw/zinc/53/31/54/490533154.db2.gz ZHZBBSGFNNDCQQ-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(CC)(CC)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000127023060 490533254 /nfs/dbraw/zinc/53/32/54/490533254.db2.gz ZHZBBSGFNNDCQQ-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCF ZINC000127031603 324739722 /nfs/dbraw/zinc/73/97/22/324739722.db2.gz IVBGXKKBMLZRSD-SECBINFHSA-N 1 0 244.379 3.585 20 0 BHADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCF ZINC000127031870 324739587 /nfs/dbraw/zinc/73/95/87/324739587.db2.gz IVBGXKKBMLZRSD-VIFPVBQESA-N 1 0 244.379 3.585 20 0 BHADRO CCSc1ccccc1[C@@H](C)[NH2+]CCCF ZINC000127032099 388711936 /nfs/dbraw/zinc/71/19/36/388711936.db2.gz NBKBOXHPDJOAFH-LLVKDONJSA-N 1 0 241.375 3.809 20 0 BHADRO CCSc1ccccc1[C@H](C)[NH2+]CCCF ZINC000127032345 322810046 /nfs/dbraw/zinc/81/00/46/322810046.db2.gz NBKBOXHPDJOAFH-NSHDSACASA-N 1 0 241.375 3.809 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)nc1 ZINC000127033539 388711567 /nfs/dbraw/zinc/71/15/67/388711567.db2.gz OKKIMECXJCKBGR-ZFWWWQNUSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCC[C@H](C)C2)nc1 ZINC000127033737 388712157 /nfs/dbraw/zinc/71/21/57/388712157.db2.gz OKKIMECXJCKBGR-DZGCQCFKSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000127033966 324739578 /nfs/dbraw/zinc/73/95/78/324739578.db2.gz OKKIMECXJCKBGR-HIFRSBDPSA-N 1 0 246.398 3.696 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCF)c2ccccc21 ZINC000127034002 342948194 /nfs/dbraw/zinc/94/81/94/342948194.db2.gz ISQHLWXYIWAVRE-RISCZKNCSA-N 1 0 221.319 3.574 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)nc1 ZINC000127034184 384854822 /nfs/dbraw/zinc/85/48/22/384854822.db2.gz OKKIMECXJCKBGR-UKRRQHHQSA-N 1 0 246.398 3.696 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCF)c2ccccc21 ZINC000127034265 342946869 /nfs/dbraw/zinc/94/68/69/342946869.db2.gz ISQHLWXYIWAVRE-FZMZJTMJSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000127034496 342946945 /nfs/dbraw/zinc/94/69/45/342946945.db2.gz ISQHLWXYIWAVRE-BXUZGUMPSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000127034720 342946900 /nfs/dbraw/zinc/94/69/00/342946900.db2.gz ISQHLWXYIWAVRE-SMDDNHRTSA-N 1 0 221.319 3.574 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccsc3C2)s1 ZINC000127054644 387703033 /nfs/dbraw/zinc/70/30/33/387703033.db2.gz YWCZROYTZAKLBY-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCc2ccsc2C1 ZINC000127061590 387703465 /nfs/dbraw/zinc/70/34/65/387703465.db2.gz UQZAIIPYZLZEEQ-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000127066738 324743518 /nfs/dbraw/zinc/74/35/18/324743518.db2.gz SZBDDTCGYIPBKR-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO FC1(F)CCC(C[NH2+]C2CCCCC2)CC1 ZINC000127068403 324743463 /nfs/dbraw/zinc/74/34/63/324743463.db2.gz SZQAACCXAYFMRG-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC(C[NH2+]Cc2cccs2)CC1 ZINC000127069429 387702897 /nfs/dbraw/zinc/70/28/97/387702897.db2.gz OANKOLJUIQLYQN-UHFFFAOYSA-N 1 0 245.338 3.663 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCCOC(C)C ZINC000127073170 324743172 /nfs/dbraw/zinc/74/31/72/324743172.db2.gz MPDUVPPGLKDNCK-CQSZACIVSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCCOC(C)C ZINC000127073395 324743250 /nfs/dbraw/zinc/74/32/50/324743250.db2.gz MPDUVPPGLKDNCK-AWEZNQCLSA-N 1 0 229.408 3.606 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000127130039 324747967 /nfs/dbraw/zinc/74/79/67/324747967.db2.gz NCTBSKUQFYDKOZ-AEGPPILISA-N 1 0 249.423 3.664 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000127130562 388715976 /nfs/dbraw/zinc/71/59/76/388715976.db2.gz NCTBSKUQFYDKOZ-QEJZJMRPSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1occc1C ZINC000127141636 384846728 /nfs/dbraw/zinc/84/67/28/384846728.db2.gz OAXKKBPMDIRVFC-ZYHUDNBSSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1occc1C ZINC000127141843 171295084 /nfs/dbraw/zinc/29/50/84/171295084.db2.gz OAXKKBPMDIRVFC-CMPLNLGQSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1occc1C ZINC000127142093 384846930 /nfs/dbraw/zinc/84/69/30/384846930.db2.gz OAXKKBPMDIRVFC-PWSUYJOCSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1occc1C ZINC000127142291 171298019 /nfs/dbraw/zinc/29/80/19/171298019.db2.gz OAXKKBPMDIRVFC-JQWIXIFHSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000127146674 343560249 /nfs/dbraw/zinc/56/02/49/343560249.db2.gz NPXCHSBSBHNUDE-WCQYABFASA-N 1 0 221.344 3.646 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127146721 324749740 /nfs/dbraw/zinc/74/97/40/324749740.db2.gz BRWNJECDLDXKBH-CYBMUJFWSA-N 1 0 223.747 3.573 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000127146905 345159471 /nfs/dbraw/zinc/15/94/71/345159471.db2.gz NPXCHSBSBHNUDE-AAEUAGOBSA-N 1 0 221.344 3.646 20 0 BHADRO CC(C)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127146939 324750207 /nfs/dbraw/zinc/75/02/07/324750207.db2.gz BRWNJECDLDXKBH-ZDUSSCGKSA-N 1 0 223.747 3.573 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000127147126 343571287 /nfs/dbraw/zinc/57/12/87/343571287.db2.gz NPXCHSBSBHNUDE-DGCLKSJQSA-N 1 0 221.344 3.646 20 0 BHADRO CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127147177 324750006 /nfs/dbraw/zinc/75/00/06/324750006.db2.gz ALPDDJSARNSAGG-CYBMUJFWSA-N 1 0 223.747 3.717 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCCC[C@H]1C ZINC000127147360 398046015 /nfs/dbraw/zinc/04/60/15/398046015.db2.gz NPXCHSBSBHNUDE-YPMHNXCESA-N 1 0 221.344 3.646 20 0 BHADRO CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127147399 322960619 /nfs/dbraw/zinc/96/06/19/322960619.db2.gz ALPDDJSARNSAGG-ZDUSSCGKSA-N 1 0 223.747 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CC2 ZINC000127147639 324750079 /nfs/dbraw/zinc/75/00/79/324750079.db2.gz HLWQTARAHDZZDD-CQSZACIVSA-N 1 0 235.758 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CC2 ZINC000127147853 324750083 /nfs/dbraw/zinc/75/00/83/324750083.db2.gz HLWQTARAHDZZDD-AWEZNQCLSA-N 1 0 235.758 3.860 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127150970 388715580 /nfs/dbraw/zinc/71/55/80/388715580.db2.gz HIYKSOGACUUNTG-NOZJJQNGSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127151214 388715966 /nfs/dbraw/zinc/71/59/66/388715966.db2.gz HIYKSOGACUUNTG-TVQRCGJNSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127151438 324750210 /nfs/dbraw/zinc/75/02/10/324750210.db2.gz HIYKSOGACUUNTG-RNCFNFMXSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127151718 388715865 /nfs/dbraw/zinc/71/58/65/388715865.db2.gz HIYKSOGACUUNTG-ZANVPECISA-N 1 0 223.747 3.715 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cccc(Cl)c1F ZINC000127151871 324750116 /nfs/dbraw/zinc/75/01/16/324750116.db2.gz JIBDJURFYANLFJ-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127153416 345160500 /nfs/dbraw/zinc/16/05/00/345160500.db2.gz BMOUTSVZEXHKJW-QMTHXVAHSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127153622 388715954 /nfs/dbraw/zinc/71/59/54/388715954.db2.gz BMOUTSVZEXHKJW-IINYFYTJSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127153822 324749581 /nfs/dbraw/zinc/74/95/81/324749581.db2.gz BMOUTSVZEXHKJW-YGRLFVJLSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127154082 324750130 /nfs/dbraw/zinc/75/01/30/324750130.db2.gz BMOUTSVZEXHKJW-HZMBPMFUSA-N 1 0 237.774 3.961 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000127154787 388715576 /nfs/dbraw/zinc/71/55/76/388715576.db2.gz HPSRJOUBEUKGSB-LKFCYVNXSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000127154991 345160571 /nfs/dbraw/zinc/16/05/71/345160571.db2.gz HPSRJOUBEUKGSB-YMTOWFKASA-N 1 0 235.758 3.715 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000127155237 388716539 /nfs/dbraw/zinc/71/65/39/388716539.db2.gz HPSRJOUBEUKGSB-XPTSAGLGSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000127155482 324749574 /nfs/dbraw/zinc/74/95/74/324749574.db2.gz HPSRJOUBEUKGSB-OTYXRUKQSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127158029 388716139 /nfs/dbraw/zinc/71/61/39/388716139.db2.gz AHOAHRNVKFFOHS-GLXFQSAKSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127158461 388716560 /nfs/dbraw/zinc/71/65/60/388716560.db2.gz AHOAHRNVKFFOHS-OLUVUFQESA-N 1 0 235.758 3.573 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]CC1CCC1)CC2 ZINC000127158948 324751202 /nfs/dbraw/zinc/75/12/02/324751202.db2.gz SFRMPSPVCPCJJC-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)CC2 ZINC000127159174 388716514 /nfs/dbraw/zinc/71/65/14/388716514.db2.gz SFRMPSPVCPCJJC-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1CC=CC1)CC2 ZINC000127167490 490539665 /nfs/dbraw/zinc/53/96/65/490539665.db2.gz IFRMJWXNGQLTBN-CQSZACIVSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1CC=CC1)CC2 ZINC000127167691 490539839 /nfs/dbraw/zinc/53/98/39/490539839.db2.gz IFRMJWXNGQLTBN-AWEZNQCLSA-N 1 0 233.742 3.636 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000127185560 387709823 /nfs/dbraw/zinc/70/98/23/387709823.db2.gz SEGVGMZTLIWCKJ-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000127185780 387709304 /nfs/dbraw/zinc/70/93/04/387709304.db2.gz SEGVGMZTLIWCKJ-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000127186004 411473742 /nfs/dbraw/zinc/47/37/42/411473742.db2.gz SEGVGMZTLIWCKJ-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000127186219 384316561 /nfs/dbraw/zinc/31/65/61/384316561.db2.gz SEGVGMZTLIWCKJ-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000127234866 345166656 /nfs/dbraw/zinc/16/66/56/345166656.db2.gz POECBENHNSSMQO-ZDUSSCGKSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000127235100 384260269 /nfs/dbraw/zinc/26/02/69/384260269.db2.gz POECBENHNSSMQO-CYBMUJFWSA-N 1 0 232.371 3.615 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccco1 ZINC000127245144 387709890 /nfs/dbraw/zinc/70/98/90/387709890.db2.gz HAGSCVFNAKIKRN-ZDUSSCGKSA-N 1 0 241.334 3.662 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccco1 ZINC000127245338 387709992 /nfs/dbraw/zinc/70/99/92/387709992.db2.gz HAGSCVFNAKIKRN-CYBMUJFWSA-N 1 0 241.334 3.662 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)n1 ZINC000127249541 324756501 /nfs/dbraw/zinc/75/65/01/324756501.db2.gz PSNSDSBEHVTHSU-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)n1 ZINC000127249717 322818183 /nfs/dbraw/zinc/81/81/83/322818183.db2.gz PSNSDSBEHVTHSU-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)n1 ZINC000127249870 388719069 /nfs/dbraw/zinc/71/90/69/388719069.db2.gz PSNSDSBEHVTHSU-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)n1 ZINC000127250097 388718197 /nfs/dbraw/zinc/71/81/97/388718197.db2.gz PSNSDSBEHVTHSU-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)c1ncc(C[N@@H+]2CCCC2(C)C)s1 ZINC000127262412 387708654 /nfs/dbraw/zinc/70/86/54/387708654.db2.gz KHYFFRZRJYXNEN-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000127267920 358561616 /nfs/dbraw/zinc/56/16/16/358561616.db2.gz NXGKCBGPOZFAKQ-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CSC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000127275936 388720653 /nfs/dbraw/zinc/72/06/53/388720653.db2.gz XQSODCVJEQPTHO-STQMWFEESA-N 1 0 237.412 3.521 20 0 BHADRO CSC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000127276158 388720210 /nfs/dbraw/zinc/72/02/10/388720210.db2.gz XQSODCVJEQPTHO-OLZOCXBDSA-N 1 0 237.412 3.521 20 0 BHADRO CSC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000127276405 324758121 /nfs/dbraw/zinc/75/81/21/324758121.db2.gz XQSODCVJEQPTHO-QWHCGFSZSA-N 1 0 237.412 3.521 20 0 BHADRO CSC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000127276684 324758085 /nfs/dbraw/zinc/75/80/85/324758085.db2.gz XQSODCVJEQPTHO-CHWSQXEVSA-N 1 0 237.412 3.521 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000127280767 388720214 /nfs/dbraw/zinc/72/02/14/388720214.db2.gz GIZPIBAWRYSTBW-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000127280997 388720030 /nfs/dbraw/zinc/72/00/30/388720030.db2.gz GIZPIBAWRYSTBW-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000127281242 388720578 /nfs/dbraw/zinc/72/05/78/388720578.db2.gz GIZPIBAWRYSTBW-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccc(C)n1 ZINC000127281482 324757911 /nfs/dbraw/zinc/75/79/11/324757911.db2.gz GIZPIBAWRYSTBW-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO CC1CCC(C[NH2+][C@H]2C=CCCC2)CC1 ZINC000127350970 384856675 /nfs/dbraw/zinc/85/66/75/384856675.db2.gz VYKAADJKORCYAO-RUXDESIVSA-N 1 0 207.361 3.511 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2C=CCCC2)CC1 ZINC000127351178 388721476 /nfs/dbraw/zinc/72/14/76/388721476.db2.gz VYKAADJKORCYAO-JXQTWKCFSA-N 1 0 207.361 3.511 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127375761 384889550 /nfs/dbraw/zinc/88/95/50/384889550.db2.gz MPWUBZOSHWMRAD-CYBMUJFWSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127376037 179543985 /nfs/dbraw/zinc/54/39/85/179543985.db2.gz MPWUBZOSHWMRAD-ZDUSSCGKSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000127394372 388722360 /nfs/dbraw/zinc/72/23/60/388722360.db2.gz YEEPNMRMTCGBBN-CQSZACIVSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000127394610 388722739 /nfs/dbraw/zinc/72/27/39/388722739.db2.gz YEEPNMRMTCGBBN-AWEZNQCLSA-N 1 0 246.379 3.722 20 0 BHADRO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000127406976 322820279 /nfs/dbraw/zinc/82/02/79/322820279.db2.gz ZSCPHEXGQWDIPU-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000127407190 388722576 /nfs/dbraw/zinc/72/25/76/388722576.db2.gz ZSCPHEXGQWDIPU-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+](C)C1CCC1 ZINC000127454942 387714147 /nfs/dbraw/zinc/71/41/47/387714147.db2.gz BFBBMKHNISUGRY-UHFFFAOYSA-N 1 0 229.323 3.726 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000127456298 167380894 /nfs/dbraw/zinc/38/08/94/167380894.db2.gz UERJZIVPQXFWEF-OAHLLOKOSA-N 1 0 249.398 3.618 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000127456566 384870754 /nfs/dbraw/zinc/87/07/54/384870754.db2.gz UERJZIVPQXFWEF-HNNXBMFYSA-N 1 0 249.398 3.618 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000127474333 384870919 /nfs/dbraw/zinc/87/09/19/384870919.db2.gz QBNONRDVNNXGSD-SECBINFHSA-N 1 0 247.791 3.554 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000127474564 384870229 /nfs/dbraw/zinc/87/02/29/384870229.db2.gz QBNONRDVNNXGSD-VIFPVBQESA-N 1 0 247.791 3.554 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000127477206 387715432 /nfs/dbraw/zinc/71/54/32/387715432.db2.gz URJFVSRKXNAPOI-CYBMUJFWSA-N 1 0 237.412 3.616 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000127477436 387714067 /nfs/dbraw/zinc/71/40/67/387714067.db2.gz URJFVSRKXNAPOI-ZDUSSCGKSA-N 1 0 237.412 3.616 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1ccccc1C ZINC000127483375 387716590 /nfs/dbraw/zinc/71/65/90/387716590.db2.gz UBTIHTAIVSWMPO-CYBMUJFWSA-N 1 0 237.412 3.616 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1ccccc1C ZINC000127483571 170643595 /nfs/dbraw/zinc/64/35/95/170643595.db2.gz UBTIHTAIVSWMPO-ZDUSSCGKSA-N 1 0 237.412 3.616 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1sccc1C ZINC000127483797 344193115 /nfs/dbraw/zinc/19/31/15/344193115.db2.gz QXQIQYSANMZDPQ-LLVKDONJSA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1sccc1C ZINC000127484089 384870973 /nfs/dbraw/zinc/87/09/73/384870973.db2.gz QXQIQYSANMZDPQ-NSHDSACASA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000127484338 384868391 /nfs/dbraw/zinc/86/83/91/384868391.db2.gz JGGUOPBYRYHDJZ-SNVBAGLBSA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000127484597 384868282 /nfs/dbraw/zinc/86/82/82/384868282.db2.gz JGGUOPBYRYHDJZ-JTQLQIEISA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000127492273 387715791 /nfs/dbraw/zinc/71/57/91/387715791.db2.gz BCBSXESDYKGIOJ-CYBMUJFWSA-N 1 0 237.412 3.616 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000127492521 387713967 /nfs/dbraw/zinc/71/39/67/387713967.db2.gz BCBSXESDYKGIOJ-ZDUSSCGKSA-N 1 0 237.412 3.616 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127504550 176180636 /nfs/dbraw/zinc/18/06/36/176180636.db2.gz DDIXFZICYVJLNR-MCIONIFRSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000127504779 176027767 /nfs/dbraw/zinc/02/77/67/176027767.db2.gz DDIXFZICYVJLNR-MJBXVCDLSA-N 1 0 232.371 3.511 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1CC1 ZINC000127507346 324770981 /nfs/dbraw/zinc/77/09/81/324770981.db2.gz TUVZBZMDYJUVFT-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CC1 ZINC000127507601 491132602 /nfs/dbraw/zinc/13/26/02/491132602.db2.gz TUVZBZMDYJUVFT-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)C)c1ccccn1 ZINC000127519016 388725842 /nfs/dbraw/zinc/72/58/42/388725842.db2.gz BKJRHUXNEQIMRF-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)C)c1ccccn1 ZINC000127519269 388725672 /nfs/dbraw/zinc/72/56/72/388725672.db2.gz BKJRHUXNEQIMRF-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CCCCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000127520560 388724904 /nfs/dbraw/zinc/72/49/04/388724904.db2.gz YPWUFRSNRAUZCG-ZDUSSCGKSA-N 1 0 220.360 3.703 20 0 BHADRO CCCCC[NH2+][C@H](CCC)c1ccccn1 ZINC000127520735 322825454 /nfs/dbraw/zinc/82/54/54/322825454.db2.gz YPWUFRSNRAUZCG-CYBMUJFWSA-N 1 0 220.360 3.703 20 0 BHADRO CCC[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000127531957 388725973 /nfs/dbraw/zinc/72/59/73/388725973.db2.gz UYGNNXAUPPKXNI-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)C(C)(C)C ZINC000127531986 171538292 /nfs/dbraw/zinc/53/82/92/171538292.db2.gz CCIWCIQPVCNAGK-AAEUAGOBSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C(C)(C)C ZINC000127532206 358563281 /nfs/dbraw/zinc/56/32/81/358563281.db2.gz CCIWCIQPVCNAGK-WCQYABFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)C(C)(C)C ZINC000127532413 171545592 /nfs/dbraw/zinc/54/55/92/171545592.db2.gz CCIWCIQPVCNAGK-YPMHNXCESA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)C(C)(C)C ZINC000127532616 170912372 /nfs/dbraw/zinc/91/23/72/170912372.db2.gz CCIWCIQPVCNAGK-DGCLKSJQSA-N 1 0 220.360 3.557 20 0 BHADRO CCC[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000127541697 169081778 /nfs/dbraw/zinc/08/17/78/169081778.db2.gz FHEBZTBNLOTWLY-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000127546537 169081791 /nfs/dbraw/zinc/08/17/91/169081791.db2.gz FHGOKEGPCNUEMH-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccco1 ZINC000127552692 343727476 /nfs/dbraw/zinc/72/74/76/343727476.db2.gz UHRGBLHNOGOFTH-HIFRSBDPSA-N 1 0 241.334 3.658 20 0 BHADRO CCC[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000127552723 384487130 /nfs/dbraw/zinc/48/71/30/384487130.db2.gz YMFDQTCYFSSUNN-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccco1 ZINC000127552900 343728676 /nfs/dbraw/zinc/72/86/76/343728676.db2.gz UHRGBLHNOGOFTH-ZFWWWQNUSA-N 1 0 241.334 3.658 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccco1 ZINC000127553162 343728867 /nfs/dbraw/zinc/72/88/67/343728867.db2.gz UHRGBLHNOGOFTH-UKRRQHHQSA-N 1 0 241.334 3.658 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccco1 ZINC000127553421 343728596 /nfs/dbraw/zinc/72/85/96/343728596.db2.gz UHRGBLHNOGOFTH-DZGCQCFKSA-N 1 0 241.334 3.658 20 0 BHADRO CCC[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000127556810 388727177 /nfs/dbraw/zinc/72/71/77/388727177.db2.gz FCTASIVSHBZJDX-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127560321 490550017 /nfs/dbraw/zinc/55/00/17/490550017.db2.gz DSXYXJYIBGYJAM-AEGPPILISA-N 1 0 217.356 3.568 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127560577 411495447 /nfs/dbraw/zinc/49/54/47/411495447.db2.gz DSXYXJYIBGYJAM-BPLDGKMQSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127560817 411494980 /nfs/dbraw/zinc/49/49/80/411494980.db2.gz DSXYXJYIBGYJAM-NWANDNLSSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c(C)o1 ZINC000127562577 590711954 /nfs/dbraw/zinc/71/19/54/590711954.db2.gz FSTSAZUVAROGMT-IINYFYTJSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)c(C)o1 ZINC000127562830 590711440 /nfs/dbraw/zinc/71/14/40/590711440.db2.gz FSTSAZUVAROGMT-HZMBPMFUSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)c(C)o1 ZINC000127563090 590711427 /nfs/dbraw/zinc/71/14/27/590711427.db2.gz FSTSAZUVAROGMT-QMTHXVAHSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C)c(C)o1 ZINC000127563298 590711509 /nfs/dbraw/zinc/71/15/09/590711509.db2.gz FSTSAZUVAROGMT-YGRLFVJLSA-N 1 0 221.344 3.565 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127565016 324775105 /nfs/dbraw/zinc/77/51/05/324775105.db2.gz SHLFAIRCRRHKIS-DZGCQCFKSA-N 1 0 217.356 3.568 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127565262 388726685 /nfs/dbraw/zinc/72/66/85/388726685.db2.gz SHLFAIRCRRHKIS-UKRRQHHQSA-N 1 0 217.356 3.568 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000127565482 388727276 /nfs/dbraw/zinc/72/72/76/388727276.db2.gz SHLFAIRCRRHKIS-ZFWWWQNUSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000127565513 169081243 /nfs/dbraw/zinc/08/12/43/169081243.db2.gz OABIBPUAUCLABP-UHFFFAOYSA-N 1 0 249.326 3.577 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000127565704 388727684 /nfs/dbraw/zinc/72/76/84/388727684.db2.gz SHLFAIRCRRHKIS-HIFRSBDPSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC(C)C)c(C)o1 ZINC000127566164 590713884 /nfs/dbraw/zinc/71/38/84/590713884.db2.gz QWLUEAQQJTVUOA-NSHDSACASA-N 1 0 223.360 3.811 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC(C)C)c(C)o1 ZINC000127566362 590714078 /nfs/dbraw/zinc/71/40/78/590714078.db2.gz QWLUEAQQJTVUOA-LLVKDONJSA-N 1 0 223.360 3.811 20 0 BHADRO CCCCCC[NH2+]Cc1cc(C)oc1C ZINC000127570707 590713964 /nfs/dbraw/zinc/71/39/64/590713964.db2.gz KPFGZAYPUOVZPO-UHFFFAOYSA-N 1 0 209.333 3.566 20 0 BHADRO C[N@H+](CCc1ccccn1)C1CCC(C)(C)CC1 ZINC000127574969 387719297 /nfs/dbraw/zinc/71/92/97/387719297.db2.gz RBKTZAPUJKFXEK-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1cc(C[NH2+]CCC2CCCC2)c(C)o1 ZINC000127583949 590715183 /nfs/dbraw/zinc/71/51/83/590715183.db2.gz ZJBGPQYGKGDMMJ-UHFFFAOYSA-N 1 0 221.344 3.566 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127586320 384920295 /nfs/dbraw/zinc/92/02/95/384920295.db2.gz OFTSCGBYJSVMOZ-ZDUSSCGKSA-N 1 0 220.360 3.655 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000127586552 168659850 /nfs/dbraw/zinc/65/98/50/168659850.db2.gz OFTSCGBYJSVMOZ-CYBMUJFWSA-N 1 0 220.360 3.655 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127607805 324779027 /nfs/dbraw/zinc/77/90/27/324779027.db2.gz QPCWBKHLXATVOT-UONOGXRCSA-N 1 0 217.356 3.568 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127607996 324779033 /nfs/dbraw/zinc/77/90/33/324779033.db2.gz QPCWBKHLXATVOT-ZIAGYGMSSA-N 1 0 217.356 3.568 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000127608210 388728655 /nfs/dbraw/zinc/72/86/55/388728655.db2.gz QPCWBKHLXATVOT-KBPBESRZSA-N 1 0 217.356 3.568 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000127608416 323005508 /nfs/dbraw/zinc/00/55/08/323005508.db2.gz QPCWBKHLXATVOT-KGLIPLIRSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CCCCC2)c(C)o1 ZINC000127613518 590722782 /nfs/dbraw/zinc/72/27/82/590722782.db2.gz NVJOREXPIMJRIR-UHFFFAOYSA-N 1 0 221.344 3.709 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CCC1CCCC1 ZINC000127614826 176034577 /nfs/dbraw/zinc/03/45/77/176034577.db2.gz RXKWKEPIUAYQGO-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CCC1CCCC1 ZINC000127615085 177050547 /nfs/dbraw/zinc/05/05/47/177050547.db2.gz RXKWKEPIUAYQGO-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO COCCCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000127615873 323005480 /nfs/dbraw/zinc/00/54/80/323005480.db2.gz LHVHXXXNIBOPGE-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)oc1C ZINC000127619130 590724640 /nfs/dbraw/zinc/72/46/40/590724640.db2.gz YWIQOKDFTUTBCY-CYBMUJFWSA-N 1 0 209.333 3.565 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)oc1C ZINC000127619341 590724091 /nfs/dbraw/zinc/72/40/91/590724091.db2.gz YWIQOKDFTUTBCY-ZDUSSCGKSA-N 1 0 209.333 3.565 20 0 BHADRO CC(C)C[NH2+]C(C)(C)Cc1ccccc1Cl ZINC000127623347 388728007 /nfs/dbraw/zinc/72/80/07/388728007.db2.gz IWFWHOCVCHNHAS-UHFFFAOYSA-N 1 0 239.790 3.907 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]CC(C)C ZINC000127623623 388728342 /nfs/dbraw/zinc/72/83/42/388728342.db2.gz CJHMDPZPDNTJEP-UHFFFAOYSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@](C)([NH2+]CC(C)C)c1ccccc1 ZINC000127630177 590725398 /nfs/dbraw/zinc/72/53/98/590725398.db2.gz MDRWGPWCZIJZEA-AWEZNQCLSA-N 1 0 205.345 3.557 20 0 BHADRO CC[C@@](C)([NH2+]CC(C)C)c1ccccc1 ZINC000127630385 590725952 /nfs/dbraw/zinc/72/59/52/590725952.db2.gz MDRWGPWCZIJZEA-CQSZACIVSA-N 1 0 205.345 3.557 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CCCC2)c(C)o1 ZINC000127631644 590726212 /nfs/dbraw/zinc/72/62/12/590726212.db2.gz JAJOJJRLXDWSHU-UHFFFAOYSA-N 1 0 221.344 3.566 20 0 BHADRO CSCCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000127632468 388729149 /nfs/dbraw/zinc/72/91/49/388729149.db2.gz BYBWAVXOHSUZDB-UHFFFAOYSA-N 1 0 249.423 3.665 20 0 BHADRO CC(C)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000127637455 324779752 /nfs/dbraw/zinc/77/97/52/324779752.db2.gz KPUZHAHYOQGTIX-UHFFFAOYSA-N 1 0 223.747 3.575 20 0 BHADRO CSC[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000127639660 384926989 /nfs/dbraw/zinc/92/69/89/384926989.db2.gz WKGLYLCPPCGKHN-HSBZDZAISA-N 1 0 249.423 3.582 20 0 BHADRO CSC[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000127639880 384928608 /nfs/dbraw/zinc/92/86/08/384928608.db2.gz WKGLYLCPPCGKHN-IYXRBSQSSA-N 1 0 249.423 3.582 20 0 BHADRO CSCC[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000127644333 590737427 /nfs/dbraw/zinc/73/74/27/590737427.db2.gz JAVVFABFVJXUHJ-GRTSSRMGSA-N 1 0 249.423 3.664 20 0 BHADRO CC(C)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000127644525 324779450 /nfs/dbraw/zinc/77/94/50/324779450.db2.gz WZMUVKCBCWBVLL-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO CSCC[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000127644554 590737159 /nfs/dbraw/zinc/73/71/59/590737159.db2.gz JAVVFABFVJXUHJ-LRVUVFPRSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCC2)c2ccsc2S1 ZINC000127647898 177369634 /nfs/dbraw/zinc/36/96/34/177369634.db2.gz CBULLXOCNRBKDM-KWQFWETISA-N 1 0 239.409 3.816 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCC2)c2ccsc2S1 ZINC000127648105 177330387 /nfs/dbraw/zinc/33/03/87/177330387.db2.gz CBULLXOCNRBKDM-GZMMTYOYSA-N 1 0 239.409 3.816 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000127650376 324780112 /nfs/dbraw/zinc/78/01/12/324780112.db2.gz YXNQFMRVQVOIBF-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000127650617 324780574 /nfs/dbraw/zinc/78/05/74/324780574.db2.gz YXNQFMRVQVOIBF-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000127675441 388729426 /nfs/dbraw/zinc/72/94/26/388729426.db2.gz LSCOHWFWZLLWQC-UHFFFAOYSA-N 1 0 225.763 3.821 20 0 BHADRO CC(C)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127688241 490552715 /nfs/dbraw/zinc/55/27/15/490552715.db2.gz NBAFRLRUZMDAAZ-CZUORRHYSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000127688463 490552241 /nfs/dbraw/zinc/55/22/41/490552241.db2.gz NBAFRLRUZMDAAZ-XJKSGUPXSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127688681 490518130 /nfs/dbraw/zinc/51/81/30/490518130.db2.gz NBAFRLRUZMDAAZ-CJNGLKHVSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000127688959 490552841 /nfs/dbraw/zinc/55/28/41/490552841.db2.gz NBAFRLRUZMDAAZ-BBRMVZONSA-N 1 0 246.398 3.705 20 0 BHADRO C[N@H+](CCc1ccncc1)C1CCC(C)(C)CC1 ZINC000127689915 387721710 /nfs/dbraw/zinc/72/17/10/387721710.db2.gz TXDMIFFMROOZJH-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000127690380 324783381 /nfs/dbraw/zinc/78/33/81/324783381.db2.gz UUVFSWSEHMEQLO-UHFFFAOYSA-N 1 0 223.747 3.575 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cc(C)oc1C ZINC000127697628 590755611 /nfs/dbraw/zinc/75/56/11/590755611.db2.gz AFSJUJRZNGSULL-UHFFFAOYSA-N 1 0 223.360 3.955 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC000127708994 590756909 /nfs/dbraw/zinc/75/69/09/590756909.db2.gz RHRYSASDWIIMGT-GHMZBOCLSA-N 1 0 223.360 3.811 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC000127709259 590756222 /nfs/dbraw/zinc/75/62/22/590756222.db2.gz RHRYSASDWIIMGT-WDEREUQCSA-N 1 0 223.360 3.811 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC000127709480 590757140 /nfs/dbraw/zinc/75/71/40/590757140.db2.gz RHRYSASDWIIMGT-MNOVXSKESA-N 1 0 223.360 3.811 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC000127709705 590757096 /nfs/dbraw/zinc/75/70/96/590757096.db2.gz RHRYSASDWIIMGT-QWRGUYRKSA-N 1 0 223.360 3.811 20 0 BHADRO C1=CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000127717778 490554132 /nfs/dbraw/zinc/55/41/32/490554132.db2.gz HCGOOWPXWOAEFG-ZBFHGGJFSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000127718003 490554374 /nfs/dbraw/zinc/55/43/74/490554374.db2.gz HCGOOWPXWOAEFG-HOCLYGCPSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000127718275 490554018 /nfs/dbraw/zinc/55/40/18/490554018.db2.gz HCGOOWPXWOAEFG-GDBMZVCRSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000127718487 490554161 /nfs/dbraw/zinc/55/41/61/490554161.db2.gz HCGOOWPXWOAEFG-GOEBONIOSA-N 1 0 227.351 3.631 20 0 BHADRO CSC(C)(C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000127720576 387120669 /nfs/dbraw/zinc/12/06/69/387120669.db2.gz QMUNBVCBHZQPNR-UHFFFAOYSA-N 1 0 249.423 3.664 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC2(C)C)c(C)o1 ZINC000127728851 590766179 /nfs/dbraw/zinc/76/61/79/590766179.db2.gz GWDVHFMQPPFKBX-CYBMUJFWSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC2(C)C)c(C)o1 ZINC000127729035 590767231 /nfs/dbraw/zinc/76/72/31/590767231.db2.gz GWDVHFMQPPFKBX-ZDUSSCGKSA-N 1 0 221.344 3.565 20 0 BHADRO CCC1(C[NH2+]Cc2cc(C)oc2C)CCC1 ZINC000127731784 590766463 /nfs/dbraw/zinc/76/64/63/590766463.db2.gz VGVWRVVVJCVIKB-UHFFFAOYSA-N 1 0 221.344 3.566 20 0 BHADRO CC(C)(C)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127736019 387725334 /nfs/dbraw/zinc/72/53/34/387725334.db2.gz YTQFEQSVUNONAJ-LLVKDONJSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)(C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000127736262 387724873 /nfs/dbraw/zinc/72/48/73/387724873.db2.gz YTQFEQSVUNONAJ-NSHDSACASA-N 1 0 238.400 3.716 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)oc1C ZINC000127739199 590766331 /nfs/dbraw/zinc/76/63/31/590766331.db2.gz NBZXWBSDPPRYON-OCCSQVGLSA-N 1 0 221.344 3.565 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)oc1C ZINC000127739413 590767328 /nfs/dbraw/zinc/76/73/28/590767328.db2.gz NBZXWBSDPPRYON-JSGCOSHPSA-N 1 0 221.344 3.565 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)oc1C ZINC000127739628 590765940 /nfs/dbraw/zinc/76/59/40/590765940.db2.gz NBZXWBSDPPRYON-TZMCWYRMSA-N 1 0 221.344 3.565 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)oc1C ZINC000127739859 590767336 /nfs/dbraw/zinc/76/73/36/590767336.db2.gz NBZXWBSDPPRYON-GXTWGEPZSA-N 1 0 221.344 3.565 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(C)oc2C)CC1 ZINC000127742467 590766802 /nfs/dbraw/zinc/76/68/02/590766802.db2.gz KMQAEWGZEMIUED-UHFFFAOYSA-N 1 0 221.344 3.566 20 0 BHADRO CC(C)c1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127765500 490558655 /nfs/dbraw/zinc/55/86/55/490558655.db2.gz JSGMLLFMJQCUDL-CZUORRHYSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000127765754 490558580 /nfs/dbraw/zinc/55/85/80/490558580.db2.gz JSGMLLFMJQCUDL-XJKSGUPXSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127765960 490558555 /nfs/dbraw/zinc/55/85/55/490558555.db2.gz JSGMLLFMJQCUDL-CJNGLKHVSA-N 1 0 246.398 3.705 20 0 BHADRO CC(C)c1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000127766146 490518837 /nfs/dbraw/zinc/51/88/37/490518837.db2.gz JSGMLLFMJQCUDL-BBRMVZONSA-N 1 0 246.398 3.705 20 0 BHADRO CCCc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127766912 590773655 /nfs/dbraw/zinc/77/36/55/590773655.db2.gz QNZTWKGIZQKXEV-CZUORRHYSA-N 1 0 246.398 3.534 20 0 BHADRO CCCc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000127767159 590774034 /nfs/dbraw/zinc/77/40/34/590774034.db2.gz QNZTWKGIZQKXEV-CJNGLKHVSA-N 1 0 246.398 3.534 20 0 BHADRO CCC1(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000127775728 411253017 /nfs/dbraw/zinc/25/30/17/411253017.db2.gz FFNQXKQABWXHQS-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CCC1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000127775954 411252973 /nfs/dbraw/zinc/25/29/73/411252973.db2.gz XLXCQBFVAOJKOM-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CCC1(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000127776188 411253197 /nfs/dbraw/zinc/25/31/97/411253197.db2.gz ZLNAUWBVGNSDHK-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127778472 411253106 /nfs/dbraw/zinc/25/31/06/411253106.db2.gz PAFJGSKSJYQLSG-LLVKDONJSA-N 1 0 248.345 3.628 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127778722 411252741 /nfs/dbraw/zinc/25/27/41/411252741.db2.gz PAFJGSKSJYQLSG-NSHDSACASA-N 1 0 248.345 3.628 20 0 BHADRO CC1(C[NH2+]C2CC(c3ccccc3)C2)CCC1 ZINC000127783630 324787587 /nfs/dbraw/zinc/78/75/87/324787587.db2.gz PCHLYAMYAMCNJG-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCC1 ZINC000127783893 324787437 /nfs/dbraw/zinc/78/74/37/324787437.db2.gz CILFMYXQMRGLBT-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+]C2CC(c3ccccc3F)C2)CCC1 ZINC000127784144 322869196 /nfs/dbraw/zinc/86/91/96/322869196.db2.gz BVSZWWXUJOBDEB-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]CC1=CCCOC1 ZINC000127803659 388731560 /nfs/dbraw/zinc/73/15/60/388731560.db2.gz KUYZSOOQDMOHRW-CQSZACIVSA-N 1 0 239.403 3.529 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]CC1=CCCOC1 ZINC000127803900 388731771 /nfs/dbraw/zinc/73/17/71/388731771.db2.gz KUYZSOOQDMOHRW-AWEZNQCLSA-N 1 0 239.403 3.529 20 0 BHADRO CCC(CC)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127806992 388731856 /nfs/dbraw/zinc/73/18/56/388731856.db2.gz DRKOOYVQKPOSKX-UHFFFAOYSA-N 1 0 248.345 3.628 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC(C)C ZINC000127813386 323005765 /nfs/dbraw/zinc/00/57/65/323005765.db2.gz IIIKFYBDNNKYHN-OCCSQVGLSA-N 1 0 217.356 3.789 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)C ZINC000127813618 388732122 /nfs/dbraw/zinc/73/21/22/388732122.db2.gz IIIKFYBDNNKYHN-JSGCOSHPSA-N 1 0 217.356 3.789 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC(C)C ZINC000127813827 388732381 /nfs/dbraw/zinc/73/23/81/388732381.db2.gz IIIKFYBDNNKYHN-TZMCWYRMSA-N 1 0 217.356 3.789 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC(C)C ZINC000127814078 324789737 /nfs/dbraw/zinc/78/97/37/324789737.db2.gz IIIKFYBDNNKYHN-GXTWGEPZSA-N 1 0 217.356 3.789 20 0 BHADRO CCCCCC(C)(C)C[NH2+]CC1=CCCOC1 ZINC000127816809 590788931 /nfs/dbraw/zinc/78/89/31/590788931.db2.gz WEUCUZLTHSQGNH-UHFFFAOYSA-N 1 0 239.403 3.529 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000127817421 388731553 /nfs/dbraw/zinc/73/15/53/388731553.db2.gz SATQBFJYTYPEOJ-SGMGOOAPSA-N 1 0 217.356 3.931 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000127817846 388732343 /nfs/dbraw/zinc/73/23/43/388732343.db2.gz SATQBFJYTYPEOJ-OBJOEFQTSA-N 1 0 217.356 3.931 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1cscn1 ZINC000127821306 324789152 /nfs/dbraw/zinc/78/91/52/324789152.db2.gz FCNKEDDYKCXWRT-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1cscn1 ZINC000127821558 388731887 /nfs/dbraw/zinc/73/18/87/388731887.db2.gz FCNKEDDYKCXWRT-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000127824000 388731868 /nfs/dbraw/zinc/73/18/68/388731868.db2.gz XRTNZTHBQBMUFU-HUUCEWRRSA-N 1 0 249.423 3.521 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000127824239 388731730 /nfs/dbraw/zinc/73/17/30/388731730.db2.gz XRTNZTHBQBMUFU-CABCVRRESA-N 1 0 249.423 3.521 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000127824466 324790860 /nfs/dbraw/zinc/79/08/60/324790860.db2.gz XRTNZTHBQBMUFU-LSDHHAIUSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CC1 ZINC000127824645 388732353 /nfs/dbraw/zinc/73/23/53/388732353.db2.gz SAXPNTMZNNTLDW-RISCZKNCSA-N 1 0 215.340 3.543 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000127824692 324790047 /nfs/dbraw/zinc/79/00/47/324790047.db2.gz XRTNZTHBQBMUFU-GJZGRUSLSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC1 ZINC000127824898 388732387 /nfs/dbraw/zinc/73/23/87/388732387.db2.gz SAXPNTMZNNTLDW-FZMZJTMJSA-N 1 0 215.340 3.543 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CC1 ZINC000127825123 388732021 /nfs/dbraw/zinc/73/20/21/388732021.db2.gz SAXPNTMZNNTLDW-BXUZGUMPSA-N 1 0 215.340 3.543 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000127825169 388731913 /nfs/dbraw/zinc/73/19/13/388731913.db2.gz RILYVTHEHKLQOY-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CC1 ZINC000127825369 388731537 /nfs/dbraw/zinc/73/15/37/388731537.db2.gz SAXPNTMZNNTLDW-SMDDNHRTSA-N 1 0 215.340 3.543 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000127825407 324790567 /nfs/dbraw/zinc/79/05/67/324790567.db2.gz RILYVTHEHKLQOY-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000127825641 388732040 /nfs/dbraw/zinc/73/20/40/388732040.db2.gz RILYVTHEHKLQOY-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000127825871 324790667 /nfs/dbraw/zinc/79/06/67/324790667.db2.gz RILYVTHEHKLQOY-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000127830316 324790103 /nfs/dbraw/zinc/79/01/03/324790103.db2.gz XLYDSSFEWDXPBM-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000127830745 388731808 /nfs/dbraw/zinc/73/18/08/388731808.db2.gz XLYDSSFEWDXPBM-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cscn1 ZINC000127832881 323005800 /nfs/dbraw/zinc/00/58/00/323005800.db2.gz RHNWRZBDSCYWIB-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cscn1 ZINC000127833153 323005809 /nfs/dbraw/zinc/00/58/09/323005809.db2.gz RHNWRZBDSCYWIB-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC1(C)CC([NH2+]Cc2cc[nH]c2)CC(C)(C)C1 ZINC000127833802 387727801 /nfs/dbraw/zinc/72/78/01/387727801.db2.gz PZCDKKCVVNGWHT-UHFFFAOYSA-N 1 0 234.387 3.709 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCC1CCCC1 ZINC000127843003 176029299 /nfs/dbraw/zinc/02/92/99/176029299.db2.gz XOJYIAZCFXOBPP-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCC1CCCC1 ZINC000127843200 177044707 /nfs/dbraw/zinc/04/47/07/177044707.db2.gz XOJYIAZCFXOBPP-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cscn1)C(C)(C)C ZINC000127845459 324791781 /nfs/dbraw/zinc/79/17/81/324791781.db2.gz PKLRHVMSLFALSW-ONGXEEELSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cscn1)C(C)(C)C ZINC000127845689 324791567 /nfs/dbraw/zinc/79/15/67/324791567.db2.gz PKLRHVMSLFALSW-GXSJLCMTSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cscn1)C(C)(C)C ZINC000127845882 324791335 /nfs/dbraw/zinc/79/13/35/324791335.db2.gz PKLRHVMSLFALSW-KOLCDFICSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cscn1)C(C)(C)C ZINC000127846058 324791349 /nfs/dbraw/zinc/79/13/49/324791349.db2.gz PKLRHVMSLFALSW-MWLCHTKSSA-N 1 0 226.389 3.618 20 0 BHADRO COCC[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127855355 388733084 /nfs/dbraw/zinc/73/30/84/388733084.db2.gz GBIVTICQESLEGU-LBPRGKRZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127855573 323005840 /nfs/dbraw/zinc/00/58/40/323005840.db2.gz GBIVTICQESLEGU-GFCCVEGCSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127868725 343752803 /nfs/dbraw/zinc/75/28/03/343752803.db2.gz MXNHEAWYTAGCLJ-LLVKDONJSA-N 1 0 248.345 3.628 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127868990 343752778 /nfs/dbraw/zinc/75/27/78/343752778.db2.gz MXNHEAWYTAGCLJ-NSHDSACASA-N 1 0 248.345 3.628 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C2CC=CC2)C1 ZINC000127884158 490563868 /nfs/dbraw/zinc/56/38/68/490563868.db2.gz QIMHNGUPAIRRMA-UHFFFAOYSA-N 1 0 227.351 3.549 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000127887000 324793765 /nfs/dbraw/zinc/79/37/65/324793765.db2.gz IXICGONIMITANB-FVQBIDKESA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000127887447 324793589 /nfs/dbraw/zinc/79/35/89/324793589.db2.gz IXICGONIMITANB-VNQPRFMTSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C2CC=CC2)s1 ZINC000127892685 490565128 /nfs/dbraw/zinc/56/51/28/490565128.db2.gz FVYQXSLARUNWRU-UHFFFAOYSA-N 1 0 235.396 3.854 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cscn2)CCCC1 ZINC000127894327 324793917 /nfs/dbraw/zinc/79/39/17/324793917.db2.gz PCANICYAABYZLW-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cscn2)CCCC1 ZINC000127894536 324793499 /nfs/dbraw/zinc/79/34/99/324793499.db2.gz PCANICYAABYZLW-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CCC(CC)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127918511 168388313 /nfs/dbraw/zinc/38/83/13/168388313.db2.gz RITNQHJSPPMKRK-UHFFFAOYSA-N 1 0 248.345 3.628 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000127923487 388733785 /nfs/dbraw/zinc/73/37/85/388733785.db2.gz QJVRKPLHLSMIBA-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000127923965 324795580 /nfs/dbraw/zinc/79/55/80/324795580.db2.gz QJVRKPLHLSMIBA-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO CS[C@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000127931203 385945376 /nfs/dbraw/zinc/94/53/76/385945376.db2.gz JMFBNWWGBOJRRS-IYXRBSQSSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000127931438 385946502 /nfs/dbraw/zinc/94/65/02/385946502.db2.gz JMFBNWWGBOJRRS-HSBZDZAISA-N 1 0 249.423 3.582 20 0 BHADRO c1ccc(C2CC([NH2+]CC3(C4CC4)CC3)C2)cc1 ZINC000127945549 324796383 /nfs/dbraw/zinc/79/63/83/324796383.db2.gz NJBPDIAWQCRZNR-UHFFFAOYSA-N 1 0 241.378 3.712 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000127978362 324798088 /nfs/dbraw/zinc/79/80/88/324798088.db2.gz KABWOUDDNVUFRU-BFHYXJOUSA-N 1 0 249.398 3.884 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000127978579 324797777 /nfs/dbraw/zinc/79/77/77/324797777.db2.gz KABWOUDDNVUFRU-MELADBBJSA-N 1 0 249.398 3.884 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000127978799 388735859 /nfs/dbraw/zinc/73/58/59/388735859.db2.gz KABWOUDDNVUFRU-MGPQQGTHSA-N 1 0 249.398 3.884 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000127979026 388735340 /nfs/dbraw/zinc/73/53/40/388735340.db2.gz KABWOUDDNVUFRU-HZSPNIEDSA-N 1 0 249.398 3.884 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000127985846 322892141 /nfs/dbraw/zinc/89/21/41/322892141.db2.gz FCZFMFIGIAWKDQ-ZDUSSCGKSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000127986052 388735610 /nfs/dbraw/zinc/73/56/10/388735610.db2.gz FCZFMFIGIAWKDQ-CYBMUJFWSA-N 1 0 239.309 3.633 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000127993434 324798981 /nfs/dbraw/zinc/79/89/81/324798981.db2.gz QHGBCVPXHJKZST-LBPRGKRZSA-N 1 0 245.391 3.681 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000127993691 324798738 /nfs/dbraw/zinc/79/87/38/324798738.db2.gz QHGBCVPXHJKZST-GFCCVEGCSA-N 1 0 245.391 3.681 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCc1ccc(F)cc1 ZINC000128006002 490567748 /nfs/dbraw/zinc/56/77/48/490567748.db2.gz MIWFICBWWCHMOZ-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCc1ccc(F)cc1 ZINC000128006256 490567463 /nfs/dbraw/zinc/56/74/63/490567463.db2.gz MIWFICBWWCHMOZ-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000128007477 324800145 /nfs/dbraw/zinc/80/01/45/324800145.db2.gz SZJFPTVPANNVAH-HIFRSBDPSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000128007731 324800014 /nfs/dbraw/zinc/80/00/14/324800014.db2.gz SZJFPTVPANNVAH-ZFWWWQNUSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000128007982 388736960 /nfs/dbraw/zinc/73/69/60/388736960.db2.gz SZJFPTVPANNVAH-UKRRQHHQSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000128008229 388736406 /nfs/dbraw/zinc/73/64/06/388736406.db2.gz SZJFPTVPANNVAH-DZGCQCFKSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc(C)cc1 ZINC000128010456 387732733 /nfs/dbraw/zinc/73/27/33/387732733.db2.gz ZKFIPINERWXUFM-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc(C)cc1 ZINC000128010925 387733338 /nfs/dbraw/zinc/73/33/38/387733338.db2.gz ZKFIPINERWXUFM-IMJJTQAJSA-N 1 0 247.382 3.603 20 0 BHADRO CCCCOCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000128017420 387736015 /nfs/dbraw/zinc/73/60/15/387736015.db2.gz WJEIJXBXRDWPBR-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCCOCCC[NH2+][C@H](CC)c1ccccc1 ZINC000128017629 168895491 /nfs/dbraw/zinc/89/54/91/168895491.db2.gz WJEIJXBXRDWPBR-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC000128024831 344715747 /nfs/dbraw/zinc/71/57/47/344715747.db2.gz WBQWTBMGAXYWBF-QWRGUYRKSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC000128025074 344715748 /nfs/dbraw/zinc/71/57/48/344715748.db2.gz WBQWTBMGAXYWBF-MNOVXSKESA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC000128025264 344715754 /nfs/dbraw/zinc/71/57/54/344715754.db2.gz WBQWTBMGAXYWBF-WDEREUQCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(F)c1 ZINC000128025460 344715776 /nfs/dbraw/zinc/71/57/76/344715776.db2.gz WBQWTBMGAXYWBF-GHMZBOCLSA-N 1 0 221.319 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000128027544 344715507 /nfs/dbraw/zinc/71/55/07/344715507.db2.gz DOFFEWKCLYOOCW-CHWSQXEVSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000128027733 344715436 /nfs/dbraw/zinc/71/54/36/344715436.db2.gz DOFFEWKCLYOOCW-OLZOCXBDSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000128027983 344715208 /nfs/dbraw/zinc/71/52/08/344715208.db2.gz DOFFEWKCLYOOCW-QWHCGFSZSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000128028205 344715445 /nfs/dbraw/zinc/71/54/45/344715445.db2.gz DOFFEWKCLYOOCW-STQMWFEESA-N 1 0 217.356 3.692 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1ccccc1C ZINC000128038695 324802627 /nfs/dbraw/zinc/80/26/27/324802627.db2.gz CVBXOEQFYOIEGO-HNNXBMFYSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1ccccc1C ZINC000128038932 388736470 /nfs/dbraw/zinc/73/64/70/388736470.db2.gz CVBXOEQFYOIEGO-OAHLLOKOSA-N 1 0 249.398 3.852 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000128041293 387734590 /nfs/dbraw/zinc/73/45/90/387734590.db2.gz UHFZTUBORZMNSL-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1 ZINC000128041789 169511673 /nfs/dbraw/zinc/51/16/73/169511673.db2.gz UHFZTUBORZMNSL-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cccc(F)c1 ZINC000128042650 388736650 /nfs/dbraw/zinc/73/66/50/388736650.db2.gz YSCPELSIRATYDX-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cccc(F)c1 ZINC000128042864 324802479 /nfs/dbraw/zinc/80/24/79/324802479.db2.gz YSCPELSIRATYDX-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128043090 384982393 /nfs/dbraw/zinc/98/23/93/384982393.db2.gz VZUNAWXTPGDVMH-ZDUSSCGKSA-N 1 0 220.360 3.655 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000128043353 384983667 /nfs/dbraw/zinc/98/36/67/384983667.db2.gz VZUNAWXTPGDVMH-CYBMUJFWSA-N 1 0 220.360 3.655 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000128044001 343179829 /nfs/dbraw/zinc/17/98/29/343179829.db2.gz BXRIXGWQLNWBJA-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000128044180 343179551 /nfs/dbraw/zinc/17/95/51/343179551.db2.gz BXRIXGWQLNWBJA-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000128053139 324803256 /nfs/dbraw/zinc/80/32/56/324803256.db2.gz SSWDJWHOBFUJCX-HNNXBMFYSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000128053351 323174287 /nfs/dbraw/zinc/17/42/87/323174287.db2.gz SSWDJWHOBFUJCX-OAHLLOKOSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128054583 324803793 /nfs/dbraw/zinc/80/37/93/324803793.db2.gz BNUZWLOLZQPTSU-HNNXBMFYSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000128054782 324803348 /nfs/dbraw/zinc/80/33/48/324803348.db2.gz BNUZWLOLZQPTSU-OAHLLOKOSA-N 1 0 249.398 3.852 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128055282 590884971 /nfs/dbraw/zinc/88/49/71/590884971.db2.gz JSANAQSVTRDNES-QWRGUYRKSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128055486 590885305 /nfs/dbraw/zinc/88/53/05/590885305.db2.gz JSANAQSVTRDNES-MNOVXSKESA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000128055722 590885205 /nfs/dbraw/zinc/88/52/05/590885205.db2.gz JSANAQSVTRDNES-WDEREUQCSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000128055946 590885180 /nfs/dbraw/zinc/88/51/80/590885180.db2.gz JSANAQSVTRDNES-GHMZBOCLSA-N 1 0 241.375 3.618 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000128058105 590885294 /nfs/dbraw/zinc/88/52/94/590885294.db2.gz CYBNPEOCMKVPIB-QWHCGFSZSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128058309 590885363 /nfs/dbraw/zinc/88/53/63/590885363.db2.gz CYBNPEOCMKVPIB-STQMWFEESA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000128058587 590885284 /nfs/dbraw/zinc/88/52/84/590885284.db2.gz CYBNPEOCMKVPIB-CHWSQXEVSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128058782 590884799 /nfs/dbraw/zinc/88/47/99/590884799.db2.gz CYBNPEOCMKVPIB-OLZOCXBDSA-N 1 0 237.412 3.787 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000128067762 490569855 /nfs/dbraw/zinc/56/98/55/490569855.db2.gz ZSPLFPHFWRQHBQ-KBPBESRZSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000128068007 490569671 /nfs/dbraw/zinc/56/96/71/490569671.db2.gz ZSPLFPHFWRQHBQ-KGLIPLIRSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1CCC1 ZINC000128068186 490569492 /nfs/dbraw/zinc/56/94/92/490569492.db2.gz ZSPLFPHFWRQHBQ-UONOGXRCSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C1CCC1 ZINC000128068399 490569751 /nfs/dbraw/zinc/56/97/51/490569751.db2.gz ZSPLFPHFWRQHBQ-ZIAGYGMSSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)(C)OCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000128071371 388737259 /nfs/dbraw/zinc/73/72/59/388737259.db2.gz QIUCLONILBLFOE-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)OCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000128071611 324804304 /nfs/dbraw/zinc/80/43/04/324804304.db2.gz QIUCLONILBLFOE-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)c(F)c1 ZINC000128082056 324805489 /nfs/dbraw/zinc/80/54/89/324805489.db2.gz JRAMJMREAMQFRB-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)c(F)c1 ZINC000128082265 324805477 /nfs/dbraw/zinc/80/54/77/324805477.db2.gz JRAMJMREAMQFRB-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CCC1 ZINC000128082484 388738138 /nfs/dbraw/zinc/73/81/38/388738138.db2.gz JRAMJMREAMQFRB-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)c(F)c1 ZINC000128082696 323174313 /nfs/dbraw/zinc/17/43/13/323174313.db2.gz JRAMJMREAMQFRB-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000128083178 324805215 /nfs/dbraw/zinc/80/52/15/324805215.db2.gz XZHQDLXYOPQRTH-LBPRGKRZSA-N 1 0 245.391 3.681 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000128083416 324805248 /nfs/dbraw/zinc/80/52/48/324805248.db2.gz XZHQDLXYOPQRTH-GFCCVEGCSA-N 1 0 245.391 3.681 20 0 BHADRO COCCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000128089058 174182546 /nfs/dbraw/zinc/18/25/46/174182546.db2.gz YRKDNXRAEOMBRS-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000128089263 174184101 /nfs/dbraw/zinc/18/41/01/174184101.db2.gz YRKDNXRAEOMBRS-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H](CSC)[NH2+]C1CC(c2ccccc2)C1 ZINC000128098140 388737275 /nfs/dbraw/zinc/73/72/75/388737275.db2.gz OMQRLJKAOWBRDM-SLTAFYQDSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](CSC)[NH2+]C1CC(c2ccccc2)C1 ZINC000128098331 324806417 /nfs/dbraw/zinc/80/64/17/324806417.db2.gz OMQRLJKAOWBRDM-SHARSMKWSA-N 1 0 249.423 3.664 20 0 BHADRO FC(F)(F)C1CCC([NH2+]CCCC2CC2)CC1 ZINC000128114632 590895261 /nfs/dbraw/zinc/89/52/61/590895261.db2.gz QGCPFWQBZCSWJU-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)C1CCC([NH2+]CCC2CCC2)CC1 ZINC000128115828 590894581 /nfs/dbraw/zinc/89/45/81/590894581.db2.gz MRKMTPMROKISKI-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000128120056 388739003 /nfs/dbraw/zinc/73/90/03/388739003.db2.gz ILZWBPPCXQGSCH-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000128120262 324807460 /nfs/dbraw/zinc/80/74/60/324807460.db2.gz ILZWBPPCXQGSCH-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000128120467 324807381 /nfs/dbraw/zinc/80/73/81/324807381.db2.gz ILZWBPPCXQGSCH-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000128120702 385216299 /nfs/dbraw/zinc/21/62/99/385216299.db2.gz ILZWBPPCXQGSCH-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1CCC1 ZINC000128131399 387737943 /nfs/dbraw/zinc/73/79/43/387737943.db2.gz UBVBPSIVZWZYGA-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1CCC1 ZINC000128131628 387736999 /nfs/dbraw/zinc/73/69/99/387736999.db2.gz UBVBPSIVZWZYGA-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C1CCC1 ZINC000128131848 387737892 /nfs/dbraw/zinc/73/78/92/387737892.db2.gz UBVBPSIVZWZYGA-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CCC1 ZINC000128132073 387736932 /nfs/dbraw/zinc/73/69/32/387736932.db2.gz UBVBPSIVZWZYGA-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000128134583 388738473 /nfs/dbraw/zinc/73/84/73/388738473.db2.gz AKQPGQHUJGQAIH-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)C(C)(C)C ZINC000128134848 387737771 /nfs/dbraw/zinc/73/77/71/387737771.db2.gz MBYPYRPMUSMBKY-AAEUAGOBSA-N 1 0 220.360 3.557 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000128135024 324808550 /nfs/dbraw/zinc/80/85/50/324808550.db2.gz AKQPGQHUJGQAIH-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)C(C)(C)C ZINC000128135047 170908886 /nfs/dbraw/zinc/90/88/86/170908886.db2.gz MBYPYRPMUSMBKY-WCQYABFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)C(C)(C)C ZINC000128135295 387738269 /nfs/dbraw/zinc/73/82/69/387738269.db2.gz MBYPYRPMUSMBKY-YPMHNXCESA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1)C(C)(C)C ZINC000128135466 358570828 /nfs/dbraw/zinc/57/08/28/358570828.db2.gz MBYPYRPMUSMBKY-DGCLKSJQSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCCc1ccccc1 ZINC000128143149 490573127 /nfs/dbraw/zinc/57/31/27/490573127.db2.gz SXZYAWCNMHKJOF-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCCc1ccccc1 ZINC000128143380 490572863 /nfs/dbraw/zinc/57/28/63/490572863.db2.gz SXZYAWCNMHKJOF-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000128145102 388739898 /nfs/dbraw/zinc/73/98/98/388739898.db2.gz DCKQSJAAOKTXOK-CVEARBPZSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000128145360 324809572 /nfs/dbraw/zinc/80/95/72/324809572.db2.gz DCKQSJAAOKTXOK-HOTGVXAUSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000128145622 324809129 /nfs/dbraw/zinc/80/91/29/324809129.db2.gz DCKQSJAAOKTXOK-HZPDHXFCSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000128145844 388740403 /nfs/dbraw/zinc/74/04/03/388740403.db2.gz DCKQSJAAOKTXOK-JKSUJKDBSA-N 1 0 231.383 3.788 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000128149299 590911621 /nfs/dbraw/zinc/91/16/21/590911621.db2.gz JZUNZRLKMOPMTE-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000128149494 590911698 /nfs/dbraw/zinc/91/16/98/590911698.db2.gz JZUNZRLKMOPMTE-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000128149728 590912191 /nfs/dbraw/zinc/91/21/91/590912191.db2.gz JZUNZRLKMOPMTE-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000128149997 590911559 /nfs/dbraw/zinc/91/15/59/590911559.db2.gz JZUNZRLKMOPMTE-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc(OCCCCC(F)(F)F)cc(C)[nH+]1 ZINC000128151338 343759880 /nfs/dbraw/zinc/75/98/80/343759880.db2.gz WYJBNJYRBIFYPF-UHFFFAOYSA-N 1 0 247.260 3.810 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccccc1F ZINC000128173051 385006901 /nfs/dbraw/zinc/00/69/01/385006901.db2.gz NYGRDPYAKYICAV-JTQLQIEISA-N 1 0 241.375 3.618 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccccc1F ZINC000128173260 175443116 /nfs/dbraw/zinc/44/31/16/175443116.db2.gz NYGRDPYAKYICAV-SNVBAGLBSA-N 1 0 241.375 3.618 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000128177018 385006385 /nfs/dbraw/zinc/00/63/85/385006385.db2.gz IXBPGWIUICKTMH-JTQLQIEISA-N 1 0 241.375 3.618 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000128177324 385008630 /nfs/dbraw/zinc/00/86/30/385008630.db2.gz IXBPGWIUICKTMH-SNVBAGLBSA-N 1 0 241.375 3.618 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128177526 385009167 /nfs/dbraw/zinc/00/91/67/385009167.db2.gz APVVPYMRABJUQR-JTQLQIEISA-N 1 0 241.375 3.618 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000128177741 385007157 /nfs/dbraw/zinc/00/71/57/385007157.db2.gz APVVPYMRABJUQR-SNVBAGLBSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)SC)c1ccccc1 ZINC000128181409 590918879 /nfs/dbraw/zinc/91/88/79/590918879.db2.gz ZKJWJGNKPKIFPK-ZDUSSCGKSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)SC)c1ccccc1 ZINC000128181647 590917962 /nfs/dbraw/zinc/91/79/62/590917962.db2.gz ZKJWJGNKPKIFPK-CYBMUJFWSA-N 1 0 237.412 3.869 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000128182368 590918933 /nfs/dbraw/zinc/91/89/33/590918933.db2.gz CCTWSLWZKBDCOS-GFCCVEGCSA-N 1 0 237.412 3.787 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128182593 590918912 /nfs/dbraw/zinc/91/89/12/590918912.db2.gz CCTWSLWZKBDCOS-LBPRGKRZSA-N 1 0 237.412 3.787 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cccc(Cl)c1 ZINC000128189986 590920461 /nfs/dbraw/zinc/92/04/61/590920461.db2.gz VTOOIOQKXNHOJQ-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc(C)cc1C ZINC000128190866 590920123 /nfs/dbraw/zinc/92/01/23/590920123.db2.gz UDMTXOJJKIOHEI-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000128191029 179321963 /nfs/dbraw/zinc/32/19/63/179321963.db2.gz GLZCXXPUTWABCN-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000128191220 179339788 /nfs/dbraw/zinc/33/97/88/179339788.db2.gz GLZCXXPUTWABCN-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000128191450 179322754 /nfs/dbraw/zinc/32/27/54/179322754.db2.gz GLZCXXPUTWABCN-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C=CCCC2)C1 ZINC000128194639 324811759 /nfs/dbraw/zinc/81/17/59/324811759.db2.gz ZOFKMGIPJYYBFX-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C=CCCC2)C1 ZINC000128195117 388740699 /nfs/dbraw/zinc/74/06/99/388740699.db2.gz ZOFKMGIPJYYBFX-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CSC(C)(C)C[NH2+]C1CCC(C)(C)CC1 ZINC000128196830 590921686 /nfs/dbraw/zinc/92/16/86/590921686.db2.gz RYCRUKBXOHXTGP-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000128197008 590921218 /nfs/dbraw/zinc/92/12/18/590921218.db2.gz YWSISOTZIOAFOC-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000128197374 176138637 /nfs/dbraw/zinc/13/86/37/176138637.db2.gz NMHKWISPFVEJSQ-OLZOCXBDSA-N 1 0 221.388 3.593 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000128197634 177132986 /nfs/dbraw/zinc/13/29/86/177132986.db2.gz NMHKWISPFVEJSQ-STQMWFEESA-N 1 0 221.388 3.593 20 0 BHADRO C[C@@H](C[NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1 ZINC000128197756 388741393 /nfs/dbraw/zinc/74/13/93/388741393.db2.gz JPOIHHCHODFROD-LBPRGKRZSA-N 1 0 247.357 3.709 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000128197880 176118240 /nfs/dbraw/zinc/11/82/40/176118240.db2.gz NMHKWISPFVEJSQ-CHWSQXEVSA-N 1 0 221.388 3.593 20 0 BHADRO C[C@H](C[NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1 ZINC000128197965 324811781 /nfs/dbraw/zinc/81/17/81/324811781.db2.gz JPOIHHCHODFROD-GFCCVEGCSA-N 1 0 247.357 3.709 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000128198128 177119749 /nfs/dbraw/zinc/11/97/49/177119749.db2.gz NMHKWISPFVEJSQ-QWHCGFSZSA-N 1 0 221.388 3.593 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128199585 388740706 /nfs/dbraw/zinc/74/07/06/388740706.db2.gz ZXCZDISXYFVALH-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128199826 388741485 /nfs/dbraw/zinc/74/14/85/388741485.db2.gz ZXCZDISXYFVALH-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1CCC1 ZINC000128200050 324812191 /nfs/dbraw/zinc/81/21/91/324812191.db2.gz ZXCZDISXYFVALH-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128200238 324812154 /nfs/dbraw/zinc/81/21/54/324812154.db2.gz ZXCZDISXYFVALH-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO CSCCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000128200350 388741539 /nfs/dbraw/zinc/74/15/39/388741539.db2.gz FHRZKCYHKWQXPS-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000128200569 388741123 /nfs/dbraw/zinc/74/11/23/388741123.db2.gz FHRZKCYHKWQXPS-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccccc1Cl ZINC000128200613 590921210 /nfs/dbraw/zinc/92/12/10/590921210.db2.gz ZXGCNBXVVPARMX-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cccc(C)c1C ZINC000128201294 590929150 /nfs/dbraw/zinc/92/91/50/590929150.db2.gz YUWPRIUVYNAEED-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000128201765 169370777 /nfs/dbraw/zinc/37/07/77/169370777.db2.gz MYUZEILADFFIHQ-GFCCVEGCSA-N 1 0 244.338 3.620 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000128202013 385013781 /nfs/dbraw/zinc/01/37/81/385013781.db2.gz MYUZEILADFFIHQ-LBPRGKRZSA-N 1 0 244.338 3.620 20 0 BHADRO CCC1CCC([NH2+]CC(C)(C)SC)CC1 ZINC000128202245 590928799 /nfs/dbraw/zinc/92/87/99/590928799.db2.gz OZQSZNWEHTWIOZ-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000128207672 590929594 /nfs/dbraw/zinc/92/95/94/590929594.db2.gz SJKCDENYCLHEEG-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CSCC[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000128210300 387739638 /nfs/dbraw/zinc/73/96/38/387739638.db2.gz SYAYGUKONVBMTA-UHFFFAOYSA-N 1 0 249.379 3.536 20 0 BHADRO CSC(C)(C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000128210417 590929797 /nfs/dbraw/zinc/92/97/97/590929797.db2.gz VBPMZCOEBPACIH-UHFFFAOYSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)SC)C1 ZINC000128210884 590932018 /nfs/dbraw/zinc/93/20/18/590932018.db2.gz AMYAYXCCNNZFRU-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)SC)C1 ZINC000128211118 590932832 /nfs/dbraw/zinc/93/28/32/590932832.db2.gz AMYAYXCCNNZFRU-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)SC)C1 ZINC000128211341 590932275 /nfs/dbraw/zinc/93/22/75/590932275.db2.gz AMYAYXCCNNZFRU-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)SC)C1 ZINC000128211593 590930970 /nfs/dbraw/zinc/93/09/70/590930970.db2.gz AMYAYXCCNNZFRU-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000128212538 590931034 /nfs/dbraw/zinc/93/10/34/590931034.db2.gz JOXAMVTYPCLSDQ-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000128216704 175443148 /nfs/dbraw/zinc/44/31/48/175443148.db2.gz SLEVMEMPXYBREU-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cc(C)ccc1C ZINC000128219751 590936563 /nfs/dbraw/zinc/93/65/63/590936563.db2.gz IKIULKSVUIIVPC-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)SC)s1 ZINC000128221142 590937514 /nfs/dbraw/zinc/93/75/14/590937514.db2.gz NDYGVRBMEZLJLX-UHFFFAOYSA-N 1 0 243.441 3.542 20 0 BHADRO CC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000128241297 590949764 /nfs/dbraw/zinc/94/97/64/590949764.db2.gz DFODUCZWGOQYDE-MRXNPFEDSA-N 1 0 245.366 3.583 20 0 BHADRO CC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000128241547 590950128 /nfs/dbraw/zinc/95/01/28/590950128.db2.gz DFODUCZWGOQYDE-INIZCTEOSA-N 1 0 245.366 3.583 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000128257168 388742180 /nfs/dbraw/zinc/74/21/80/388742180.db2.gz JDKKUHLLXQQUIP-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000128257289 590951132 /nfs/dbraw/zinc/95/11/32/590951132.db2.gz BPFNUGLFVXOMIF-XUJVJEKNSA-N 1 0 235.346 3.535 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000128257596 388742556 /nfs/dbraw/zinc/74/25/56/388742556.db2.gz JDKKUHLLXQQUIP-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000128257724 590951183 /nfs/dbraw/zinc/95/11/83/590951183.db2.gz BPFNUGLFVXOMIF-TYNCELHUSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1CCCSC1 ZINC000128258615 635910793 /nfs/dbraw/zinc/91/07/93/635910793.db2.gz NDQRBEOFFZCSBX-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1CCCSC1 ZINC000128258794 590952197 /nfs/dbraw/zinc/95/21/97/590952197.db2.gz NDQRBEOFFZCSBX-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000128260840 388742383 /nfs/dbraw/zinc/74/23/83/388742383.db2.gz OECOJQGVZLUFRT-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000128261085 388742096 /nfs/dbraw/zinc/74/20/96/388742096.db2.gz OECOJQGVZLUFRT-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cncs1)c1ccccc1 ZINC000128261367 324815529 /nfs/dbraw/zinc/81/55/29/324815529.db2.gz OECOJQGVZLUFRT-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cncs1 ZINC000128261603 388742714 /nfs/dbraw/zinc/74/27/14/388742714.db2.gz OECOJQGVZLUFRT-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000128261837 490574569 /nfs/dbraw/zinc/57/45/69/490574569.db2.gz NBMROCKMMWBUKD-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000128262086 490575039 /nfs/dbraw/zinc/57/50/39/490575039.db2.gz NBMROCKMMWBUKD-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC1CCC1)c1ccccc1 ZINC000128262307 490575057 /nfs/dbraw/zinc/57/50/57/490575057.db2.gz NBMROCKMMWBUKD-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000128262573 490575885 /nfs/dbraw/zinc/57/58/85/490575885.db2.gz NBMROCKMMWBUKD-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000128264135 324817194 /nfs/dbraw/zinc/81/71/94/324817194.db2.gz HNTYBLKSIABTSN-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000128264607 388743694 /nfs/dbraw/zinc/74/36/94/388743694.db2.gz HNTYBLKSIABTSN-IIAWOOMASA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC1CC1 ZINC000128265424 343174189 /nfs/dbraw/zinc/17/41/89/343174189.db2.gz YBAGPYLKYOLWDW-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCC1CC1 ZINC000128265668 343174287 /nfs/dbraw/zinc/17/42/87/343174287.db2.gz YBAGPYLKYOLWDW-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCCC1CC1 ZINC000128265852 590955260 /nfs/dbraw/zinc/95/52/60/590955260.db2.gz IAWIATIJVQMXSY-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CCCC1CC1 ZINC000128266092 590956101 /nfs/dbraw/zinc/95/61/01/590956101.db2.gz IAWIATIJVQMXSY-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1CCC1 ZINC000128271107 590955211 /nfs/dbraw/zinc/95/52/11/590955211.db2.gz CZACGOWXMSLKNG-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCC1CCC1 ZINC000128271321 590955375 /nfs/dbraw/zinc/95/53/75/590955375.db2.gz CZACGOWXMSLKNG-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCC1CCC1 ZINC000128271552 590955961 /nfs/dbraw/zinc/95/59/61/590955961.db2.gz VEEKPCPHTFHYOV-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CCC1CCC1 ZINC000128271780 590955755 /nfs/dbraw/zinc/95/57/55/590955755.db2.gz VEEKPCPHTFHYOV-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCSC1 ZINC000128278750 388744061 /nfs/dbraw/zinc/74/40/61/388744061.db2.gz MRYOOQUXXASQLW-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCSC1 ZINC000128278993 388744366 /nfs/dbraw/zinc/74/43/66/388744366.db2.gz MRYOOQUXXASQLW-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCSC1 ZINC000128279239 322961468 /nfs/dbraw/zinc/96/14/68/322961468.db2.gz MRYOOQUXXASQLW-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCSC1 ZINC000128279461 324818877 /nfs/dbraw/zinc/81/88/77/324818877.db2.gz MRYOOQUXXASQLW-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000128295372 590968161 /nfs/dbraw/zinc/96/81/61/590968161.db2.gz FZRHULSRHFVNQP-QWHCGFSZSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000128295605 590969727 /nfs/dbraw/zinc/96/97/27/590969727.db2.gz FZRHULSRHFVNQP-STQMWFEESA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000128295791 590969050 /nfs/dbraw/zinc/96/90/50/590969050.db2.gz FZRHULSRHFVNQP-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000128296002 583509658 /nfs/dbraw/zinc/50/96/58/583509658.db2.gz FZRHULSRHFVNQP-OLZOCXBDSA-N 1 0 227.417 3.583 20 0 BHADRO C(CCC1CCCC1)C[NH2+][C@@H]1CCCSC1 ZINC000128304599 590976385 /nfs/dbraw/zinc/97/63/85/590976385.db2.gz BZUOVEAATHCIAD-CQSZACIVSA-N 1 0 241.444 3.832 20 0 BHADRO C(CCC1CCCC1)C[NH2+][C@H]1CCCSC1 ZINC000128304872 590976276 /nfs/dbraw/zinc/97/62/76/590976276.db2.gz BZUOVEAATHCIAD-AWEZNQCLSA-N 1 0 241.444 3.832 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@H](O)CC)c1ccccc1 ZINC000128306198 324822770 /nfs/dbraw/zinc/82/27/70/324822770.db2.gz RHIVGUWLGADEBO-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@H](O)CC)c1ccccc1 ZINC000128306421 388747346 /nfs/dbraw/zinc/74/73/46/388747346.db2.gz RHIVGUWLGADEBO-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@@H](O)CC)c1ccccc1 ZINC000128306628 324823119 /nfs/dbraw/zinc/82/31/19/324823119.db2.gz RHIVGUWLGADEBO-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccccc1 ZINC000128306864 388747265 /nfs/dbraw/zinc/74/72/65/388747265.db2.gz RHIVGUWLGADEBO-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c(C)c1 ZINC000128313150 388747665 /nfs/dbraw/zinc/74/76/65/388747665.db2.gz UNXSKRQUOVPJGI-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c(C)c1 ZINC000128313645 388748405 /nfs/dbraw/zinc/74/84/05/388748405.db2.gz UNXSKRQUOVPJGI-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1oncc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000128318117 387744273 /nfs/dbraw/zinc/74/42/73/387744273.db2.gz CXLXVHMHTXRJLA-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1oncc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000128318350 387745306 /nfs/dbraw/zinc/74/53/06/387745306.db2.gz CXLXVHMHTXRJLA-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCCSC2)CCC1 ZINC000128321689 590989558 /nfs/dbraw/zinc/98/95/58/590989558.db2.gz UAWJJDSVKOQPMK-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCCSC2)CCC1 ZINC000128321884 590988702 /nfs/dbraw/zinc/98/87/02/590988702.db2.gz UAWJJDSVKOQPMK-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](O)CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000128337982 388748721 /nfs/dbraw/zinc/74/87/21/388748721.db2.gz UTXYMNIWMQDDQG-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000128338202 388748786 /nfs/dbraw/zinc/74/87/86/388748786.db2.gz UTXYMNIWMQDDQG-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](O)CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000128338391 324827061 /nfs/dbraw/zinc/82/70/61/324827061.db2.gz UTXYMNIWMQDDQG-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000128338667 388749090 /nfs/dbraw/zinc/74/90/90/388749090.db2.gz UTXYMNIWMQDDQG-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000128371279 490578050 /nfs/dbraw/zinc/57/80/50/490578050.db2.gz AXSICNMFBOSVKE-SUMWQHHRSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000128371481 490578160 /nfs/dbraw/zinc/57/81/60/490578160.db2.gz AXSICNMFBOSVKE-CXAGYDPISA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000128371714 490578139 /nfs/dbraw/zinc/57/81/39/490578139.db2.gz AXSICNMFBOSVKE-GUYCJALGSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000128371930 490577887 /nfs/dbraw/zinc/57/78/87/490577887.db2.gz AXSICNMFBOSVKE-DYVFJYSZSA-N 1 0 243.394 3.712 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000128376100 591012619 /nfs/dbraw/zinc/01/26/19/591012619.db2.gz VABMOSRAWMUDTB-GZBFAFLISA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000128376580 591012670 /nfs/dbraw/zinc/01/26/70/591012670.db2.gz VABMOSRAWMUDTB-UMVBOHGHSA-N 1 0 247.407 3.548 20 0 BHADRO CCC[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000128405020 591031727 /nfs/dbraw/zinc/03/17/27/591031727.db2.gz RYXYZGDZNUYASH-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CCSCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC000128423510 324837741 /nfs/dbraw/zinc/83/77/41/324837741.db2.gz OAIXSJSEXMCXKC-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCC[C@H](C)[NH2+]CCC(C)(C)C ZINC000128423743 324837891 /nfs/dbraw/zinc/83/78/91/324837891.db2.gz OAIXSJSEXMCXKC-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1C ZINC000128443556 324839101 /nfs/dbraw/zinc/83/91/01/324839101.db2.gz MBYNRHQUPLWTHZ-XHDPSFHLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1C ZINC000128443732 388760636 /nfs/dbraw/zinc/76/06/36/388760636.db2.gz MBYNRHQUPLWTHZ-NHYWBVRUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1C ZINC000128443906 388759903 /nfs/dbraw/zinc/75/99/03/388759903.db2.gz MBYNRHQUPLWTHZ-IAQYHMDHSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1C ZINC000128444067 324839450 /nfs/dbraw/zinc/83/94/50/324839450.db2.gz MBYNRHQUPLWTHZ-ABAIWWIYSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1C ZINC000128444323 324839320 /nfs/dbraw/zinc/83/93/20/324839320.db2.gz QQLULYLFIPPOCI-XHDPSFHLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1C ZINC000128444559 388760804 /nfs/dbraw/zinc/76/08/04/388760804.db2.gz QQLULYLFIPPOCI-NHYWBVRUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1C ZINC000128444810 388760267 /nfs/dbraw/zinc/76/02/67/388760267.db2.gz QQLULYLFIPPOCI-IAQYHMDHSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1C ZINC000128445016 324839514 /nfs/dbraw/zinc/83/95/14/324839514.db2.gz QQLULYLFIPPOCI-ABAIWWIYSA-N 1 0 217.356 3.582 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000128457809 324841189 /nfs/dbraw/zinc/84/11/89/324841189.db2.gz WUUMDDFHNYEUHB-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000128458040 388761732 /nfs/dbraw/zinc/76/17/32/388761732.db2.gz WUUMDDFHNYEUHB-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000128458278 324841405 /nfs/dbraw/zinc/84/14/05/324841405.db2.gz WUUMDDFHNYEUHB-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000128458539 324840926 /nfs/dbraw/zinc/84/09/26/324840926.db2.gz WUUMDDFHNYEUHB-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000128459750 490579128 /nfs/dbraw/zinc/57/91/28/490579128.db2.gz DRWQGQLAGWUKSR-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000128459984 490578912 /nfs/dbraw/zinc/57/89/12/490578912.db2.gz DRWQGQLAGWUKSR-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000128460210 490579472 /nfs/dbraw/zinc/57/94/72/490579472.db2.gz DRWQGQLAGWUKSR-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000128460454 490579383 /nfs/dbraw/zinc/57/93/83/490579383.db2.gz DRWQGQLAGWUKSR-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000128462296 171126580 /nfs/dbraw/zinc/12/65/80/171126580.db2.gz NBTHEEUQOHRITB-BZPMIXESSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000128462737 171115558 /nfs/dbraw/zinc/11/55/58/171115558.db2.gz NBTHEEUQOHRITB-SCRDCRAPSA-N 1 0 221.344 3.584 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)CC1CCC1 ZINC000128465794 490578774 /nfs/dbraw/zinc/57/87/74/490578774.db2.gz XUFGFMIJZXOZAH-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)CC1CCC1 ZINC000128466025 490578634 /nfs/dbraw/zinc/57/86/34/490578634.db2.gz XUFGFMIJZXOZAH-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000128466594 388761630 /nfs/dbraw/zinc/76/16/30/388761630.db2.gz ROOCXDFXRGJGKL-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000128467085 324841908 /nfs/dbraw/zinc/84/19/08/324841908.db2.gz ROOCXDFXRGJGKL-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000128468225 324842198 /nfs/dbraw/zinc/84/21/98/324842198.db2.gz CDYCHBVEYMUDEC-VWYCJHECSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000128468700 324842214 /nfs/dbraw/zinc/84/22/14/324842214.db2.gz CDYCHBVEYMUDEC-OUAUKWLOSA-N 1 0 237.309 3.886 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)CC=C(C)C)cc1 ZINC000128469970 388763598 /nfs/dbraw/zinc/76/35/98/388763598.db2.gz AQUNUTYCOONFQQ-ZDUSSCGKSA-N 1 0 233.355 3.654 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000128470050 324841701 /nfs/dbraw/zinc/84/17/01/324841701.db2.gz MMGBQFXKPXLKDB-SWLSCSKDSA-N 1 0 217.356 3.582 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)CC=C(C)C)cc1 ZINC000128470168 388762702 /nfs/dbraw/zinc/76/27/02/388762702.db2.gz AQUNUTYCOONFQQ-CYBMUJFWSA-N 1 0 233.355 3.654 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000128470274 388763252 /nfs/dbraw/zinc/76/32/52/388763252.db2.gz MMGBQFXKPXLKDB-WFASDCNBSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000128470487 388763247 /nfs/dbraw/zinc/76/32/47/388763247.db2.gz MMGBQFXKPXLKDB-IUODEOHRSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000128470787 324841895 /nfs/dbraw/zinc/84/18/95/324841895.db2.gz MMGBQFXKPXLKDB-DOMZBBRYSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000128471007 388763104 /nfs/dbraw/zinc/76/31/04/388763104.db2.gz YERHGAMBSPCDSM-XHDPSFHLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000128471237 388763852 /nfs/dbraw/zinc/76/38/52/388763852.db2.gz YERHGAMBSPCDSM-NHYWBVRUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000128471526 388763392 /nfs/dbraw/zinc/76/33/92/388763392.db2.gz YERHGAMBSPCDSM-IAQYHMDHSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000128471712 388763073 /nfs/dbraw/zinc/76/30/73/388763073.db2.gz YERHGAMBSPCDSM-ABAIWWIYSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000128473122 171125994 /nfs/dbraw/zinc/12/59/94/171125994.db2.gz AYDBCMXAXXHFMK-BNOWGMLFSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000128473576 171116475 /nfs/dbraw/zinc/11/64/75/171116475.db2.gz AYDBCMXAXXHFMK-YUTCNCBUSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCc1ccccc1F ZINC000128473968 490190803 /nfs/dbraw/zinc/19/08/03/490190803.db2.gz ZYSULCANMFFGDD-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCc1ccccc1F ZINC000128474198 490580227 /nfs/dbraw/zinc/58/02/27/490580227.db2.gz ZYSULCANMFFGDD-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000128475279 388763486 /nfs/dbraw/zinc/76/34/86/388763486.db2.gz SSLLSHGTNDUPNW-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000128475523 323007162 /nfs/dbraw/zinc/00/71/62/323007162.db2.gz SSLLSHGTNDUPNW-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000128475768 324843176 /nfs/dbraw/zinc/84/31/76/324843176.db2.gz SSLLSHGTNDUPNW-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000128475941 388763479 /nfs/dbraw/zinc/76/34/79/388763479.db2.gz RNZGEHAQUHEJDC-ZMLRMANQSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000128476000 324843750 /nfs/dbraw/zinc/84/37/50/324843750.db2.gz SSLLSHGTNDUPNW-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000128476456 324843407 /nfs/dbraw/zinc/84/34/07/324843407.db2.gz RNZGEHAQUHEJDC-DLOVCJGASA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCSC ZINC000128485371 388764330 /nfs/dbraw/zinc/76/43/30/388764330.db2.gz SDIOORYHUZNEAN-UPJWGTAASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCSC ZINC000128485817 388764490 /nfs/dbraw/zinc/76/44/90/388764490.db2.gz SDIOORYHUZNEAN-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCSC ZINC000128486271 388764676 /nfs/dbraw/zinc/76/46/76/388764676.db2.gz SOTALDSCNZAHSP-MCIONIFRSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCSC ZINC000128486690 324844158 /nfs/dbraw/zinc/84/41/58/324844158.db2.gz SOTALDSCNZAHSP-MJBXVCDLSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)CC1CCC1 ZINC000128486831 490580179 /nfs/dbraw/zinc/58/01/79/490580179.db2.gz BXOFEPMWDGKFCS-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c(C)s1 ZINC000128486942 591091730 /nfs/dbraw/zinc/09/17/30/591091730.db2.gz GVHZMXRAWPWRSU-HOTUBEGUSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)CC1CCC1 ZINC000128487068 490580217 /nfs/dbraw/zinc/58/02/17/490580217.db2.gz BXOFEPMWDGKFCS-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H](C)CSC ZINC000128487114 388764343 /nfs/dbraw/zinc/76/43/43/388764343.db2.gz ULPNOPQQTMCAHL-XQHKEYJVSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CCc1ccco1 ZINC000128487267 490580922 /nfs/dbraw/zinc/58/09/22/490580922.db2.gz BXOFEPMWDGKFCS-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c(C)s1 ZINC000128487461 591091534 /nfs/dbraw/zinc/09/15/34/591091534.db2.gz GVHZMXRAWPWRSU-AUTRQRHGSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)CC1CCC1 ZINC000128487521 490580300 /nfs/dbraw/zinc/58/03/00/490580300.db2.gz BXOFEPMWDGKFCS-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000128492269 174850618 /nfs/dbraw/zinc/85/06/18/174850618.db2.gz MVZJNAQSFLNOLK-LZWOXQAQSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000128492479 174851636 /nfs/dbraw/zinc/85/16/36/174851636.db2.gz MVZJNAQSFLNOLK-SQWLQELKSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000128492701 174845044 /nfs/dbraw/zinc/84/50/44/174845044.db2.gz MVZJNAQSFLNOLK-FMKPAKJESA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000128492947 387748437 /nfs/dbraw/zinc/74/84/37/387748437.db2.gz MVZJNAQSFLNOLK-IIAWOOMASA-N 1 0 249.398 3.787 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(OC)cc1 ZINC000128494107 387748278 /nfs/dbraw/zinc/74/82/78/387748278.db2.gz VOJITIPIRZVRKY-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(OC)cc1 ZINC000128494358 358576211 /nfs/dbraw/zinc/57/62/11/358576211.db2.gz VOJITIPIRZVRKY-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccc(OC)cc1 ZINC000128494598 387746597 /nfs/dbraw/zinc/74/65/97/387746597.db2.gz VOJITIPIRZVRKY-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(OC)cc1 ZINC000128494803 170911057 /nfs/dbraw/zinc/91/10/57/170911057.db2.gz VOJITIPIRZVRKY-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000128499216 324846129 /nfs/dbraw/zinc/84/61/29/324846129.db2.gz XIJYVUSDANAJQG-SYQHCUMBSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128499980 388766889 /nfs/dbraw/zinc/76/68/89/388766889.db2.gz CZBFBAIEOUJQLM-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128500391 388766215 /nfs/dbraw/zinc/76/62/15/388766215.db2.gz CZBFBAIEOUJQLM-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000128500748 388765928 /nfs/dbraw/zinc/76/59/28/388765928.db2.gz ZWCBWCRTKRTUQP-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128502672 169512988 /nfs/dbraw/zinc/51/29/88/169512988.db2.gz OUKMFOHJMWUKHR-GUTXKFCHSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128502875 324846967 /nfs/dbraw/zinc/84/69/67/324846967.db2.gz OUKMFOHJMWUKHR-GZBFAFLISA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128503105 387748041 /nfs/dbraw/zinc/74/80/41/387748041.db2.gz OUKMFOHJMWUKHR-NFAWXSAZSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128503322 388765786 /nfs/dbraw/zinc/76/57/86/388765786.db2.gz OUKMFOHJMWUKHR-UMVBOHGHSA-N 1 0 235.371 3.541 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000128505880 324846906 /nfs/dbraw/zinc/84/69/06/324846906.db2.gz DCJVILSQDNYZKL-KOLCDFICSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000128506129 388766073 /nfs/dbraw/zinc/76/60/73/388766073.db2.gz DCJVILSQDNYZKL-ONGXEEELSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000128506316 388766971 /nfs/dbraw/zinc/76/69/71/388766971.db2.gz DCJVILSQDNYZKL-MWLCHTKSSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000128506544 324846723 /nfs/dbraw/zinc/84/67/23/324846723.db2.gz DCJVILSQDNYZKL-GXSJLCMTSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000128513661 388768979 /nfs/dbraw/zinc/76/89/79/388768979.db2.gz YWPPKPIKRKVRMQ-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000128513874 388768990 /nfs/dbraw/zinc/76/89/90/388768990.db2.gz YWPPKPIKRKVRMQ-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000128514120 388768602 /nfs/dbraw/zinc/76/86/02/388768602.db2.gz AAABFKQZHWJFJF-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000128514334 388768638 /nfs/dbraw/zinc/76/86/38/388768638.db2.gz AAABFKQZHWJFJF-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CC1CCC([NH2+]CCCc2cccs2)CC1 ZINC000128520858 344206283 /nfs/dbraw/zinc/20/62/83/344206283.db2.gz LZXPRAXJOZPSOL-UHFFFAOYSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000128525358 388767686 /nfs/dbraw/zinc/76/76/86/388767686.db2.gz NMICLLCCXPJBNA-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000128525628 324849343 /nfs/dbraw/zinc/84/93/43/324849343.db2.gz NMICLLCCXPJBNA-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000128525831 324848777 /nfs/dbraw/zinc/84/87/77/324848777.db2.gz NMICLLCCXPJBNA-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000128526033 324849698 /nfs/dbraw/zinc/84/96/98/324849698.db2.gz NMICLLCCXPJBNA-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO c1csc(CCC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000128529390 388768059 /nfs/dbraw/zinc/76/80/59/388768059.db2.gz NFJCIXXBWMCXCJ-ZDUSSCGKSA-N 1 0 235.396 3.627 20 0 BHADRO c1csc(CCC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000128529583 324849612 /nfs/dbraw/zinc/84/96/12/324849612.db2.gz NFJCIXXBWMCXCJ-CYBMUJFWSA-N 1 0 235.396 3.627 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1CCSCC1 ZINC000128530739 324849691 /nfs/dbraw/zinc/84/96/91/324849691.db2.gz UBIAMHDPGBZCTO-CYBMUJFWSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1CCSCC1 ZINC000128530963 324849096 /nfs/dbraw/zinc/84/90/96/324849096.db2.gz UBIAMHDPGBZCTO-ZDUSSCGKSA-N 1 0 249.423 3.789 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccccc1F ZINC000128531557 387750920 /nfs/dbraw/zinc/75/09/20/387750920.db2.gz VBCSFGUJJKVITE-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccccc1F ZINC000128531761 387749153 /nfs/dbraw/zinc/74/91/53/387749153.db2.gz VBCSFGUJJKVITE-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128531995 170628539 /nfs/dbraw/zinc/62/85/39/170628539.db2.gz IJHGOSDAMAVFQX-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000128532177 170630182 /nfs/dbraw/zinc/63/01/82/170630182.db2.gz IJHGOSDAMAVFQX-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000128538811 387750785 /nfs/dbraw/zinc/75/07/85/387750785.db2.gz QUGWOUWJEDVUJU-SDDRHHMPSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000128539039 387749219 /nfs/dbraw/zinc/74/92/19/387749219.db2.gz QUGWOUWJEDVUJU-QJPTWQEYSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000128539288 387750630 /nfs/dbraw/zinc/75/06/30/387750630.db2.gz QUGWOUWJEDVUJU-GRYCIOLGSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000128539521 387750064 /nfs/dbraw/zinc/75/00/64/387750064.db2.gz QUGWOUWJEDVUJU-IJLUTSLNSA-N 1 0 247.338 3.507 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000128545690 385049039 /nfs/dbraw/zinc/04/90/39/385049039.db2.gz YWBBRTQUYRBZEL-IINYFYTJSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000128545899 385047870 /nfs/dbraw/zinc/04/78/70/385047870.db2.gz YWBBRTQUYRBZEL-QMTHXVAHSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000128546150 176927364 /nfs/dbraw/zinc/92/73/64/176927364.db2.gz YWBBRTQUYRBZEL-HZMBPMFUSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccco1 ZINC000128546356 385048151 /nfs/dbraw/zinc/04/81/51/385048151.db2.gz YWBBRTQUYRBZEL-YGRLFVJLSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000128548523 176233522 /nfs/dbraw/zinc/23/35/22/176233522.db2.gz FSAFFTZJCGSIGP-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000128548752 177205167 /nfs/dbraw/zinc/20/51/67/177205167.db2.gz FSAFFTZJCGSIGP-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000128548940 176213662 /nfs/dbraw/zinc/21/36/62/176213662.db2.gz FSAFFTZJCGSIGP-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000128549172 177193012 /nfs/dbraw/zinc/19/30/12/177193012.db2.gz FSAFFTZJCGSIGP-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000128559747 324853225 /nfs/dbraw/zinc/85/32/25/324853225.db2.gz XZEOLGWTZPWZIA-GXTWGEPZSA-N 1 0 237.362 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000128559948 388771553 /nfs/dbraw/zinc/77/15/53/388771553.db2.gz XZEOLGWTZPWZIA-JSGCOSHPSA-N 1 0 237.362 3.925 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1F ZINC000128560128 324853364 /nfs/dbraw/zinc/85/33/64/324853364.db2.gz XZEOLGWTZPWZIA-TZMCWYRMSA-N 1 0 237.362 3.925 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)Cc1ccccc1F ZINC000128560325 388772239 /nfs/dbraw/zinc/77/22/39/388772239.db2.gz XZEOLGWTZPWZIA-OCCSQVGLSA-N 1 0 237.362 3.925 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCSc1ccccc1 ZINC000128561690 490582191 /nfs/dbraw/zinc/58/21/91/490582191.db2.gz NHUJDVLXEJFHTB-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCSc1ccccc1 ZINC000128561936 490581671 /nfs/dbraw/zinc/58/16/71/490581671.db2.gz NHUJDVLXEJFHTB-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccc(F)cc2)CCC1 ZINC000128614269 388774844 /nfs/dbraw/zinc/77/48/44/388774844.db2.gz ISPVRZFZCHNQLB-HWKANZROSA-N 1 0 233.330 3.761 20 0 BHADRO Cc1oncc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000128616992 387751981 /nfs/dbraw/zinc/75/19/81/387751981.db2.gz MAARUVFXPMZEMZ-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000128617439 324860116 /nfs/dbraw/zinc/86/01/16/324860116.db2.gz CBCIPQIIVQRWCC-QWHCGFSZSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000128617645 388776002 /nfs/dbraw/zinc/77/60/02/388776002.db2.gz CBCIPQIIVQRWCC-STQMWFEESA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000128617862 324859906 /nfs/dbraw/zinc/85/99/06/324859906.db2.gz CBCIPQIIVQRWCC-CHWSQXEVSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000128618056 324860033 /nfs/dbraw/zinc/86/00/33/324860033.db2.gz CBCIPQIIVQRWCC-OLZOCXBDSA-N 1 0 247.382 3.843 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCc1cccc(F)c1 ZINC000128644729 490585555 /nfs/dbraw/zinc/58/55/55/490585555.db2.gz GEGUCPXSMHKQAF-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCc1cccc(F)c1 ZINC000128644934 490585834 /nfs/dbraw/zinc/58/58/34/490585834.db2.gz GEGUCPXSMHKQAF-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000128646006 388779510 /nfs/dbraw/zinc/77/95/10/388779510.db2.gz WBLATOVGOWCORF-HIFRSBDPSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000128646217 388779422 /nfs/dbraw/zinc/77/94/22/388779422.db2.gz WBLATOVGOWCORF-ZFWWWQNUSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000128646439 324863810 /nfs/dbraw/zinc/86/38/10/324863810.db2.gz WBLATOVGOWCORF-UKRRQHHQSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000128646654 388779488 /nfs/dbraw/zinc/77/94/88/388779488.db2.gz WBLATOVGOWCORF-DZGCQCFKSA-N 1 0 235.346 3.537 20 0 BHADRO CCCCN(C)c1ccc(NC(C)C)cc1 ZINC000128647567 591146244 /nfs/dbraw/zinc/14/62/44/591146244.db2.gz UIQUDPGQZVMHJE-UHFFFAOYSA-N 1 0 220.360 3.743 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCCOC1CCCCC1 ZINC000128649089 324864836 /nfs/dbraw/zinc/86/48/36/324864836.db2.gz RFYWDYHACXQUCZ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCCOC1CCCCC1 ZINC000128649293 324864547 /nfs/dbraw/zinc/86/45/47/324864547.db2.gz RFYWDYHACXQUCZ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc(C[N@@H+](Cc2ccco2)C(C)C)o1 ZINC000128650007 385059593 /nfs/dbraw/zinc/05/95/93/385059593.db2.gz BOASWHCPWVEPGB-UHFFFAOYSA-N 1 0 233.311 3.592 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000128653658 388779897 /nfs/dbraw/zinc/77/98/97/388779897.db2.gz OJOMOXQQXSJPLF-NTZNESFSSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000128653912 490174787 /nfs/dbraw/zinc/17/47/87/490174787.db2.gz OJOMOXQQXSJPLF-GMXVVIOVSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000128654158 490672607 /nfs/dbraw/zinc/67/26/07/490672607.db2.gz OJOMOXQQXSJPLF-MDZLAQPJSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000128654368 324864908 /nfs/dbraw/zinc/86/49/08/324864908.db2.gz OJOMOXQQXSJPLF-GVXVVHGQSA-N 1 0 235.396 3.715 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]Cc1ccco1 ZINC000128705576 324874357 /nfs/dbraw/zinc/87/43/57/324874357.db2.gz RQDGTAJBBOZFJN-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCCOc1ccccc1 ZINC000128708201 490586745 /nfs/dbraw/zinc/58/67/45/490586745.db2.gz OOHPRYFZZOZUMF-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCCOc1ccccc1 ZINC000128708431 490586411 /nfs/dbraw/zinc/58/64/11/490586411.db2.gz OOHPRYFZZOZUMF-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000128710872 388787840 /nfs/dbraw/zinc/78/78/40/388787840.db2.gz CIFXQUSMUSDHKL-ZBFHGGJFSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000128711124 323007619 /nfs/dbraw/zinc/00/76/19/323007619.db2.gz CIFXQUSMUSDHKL-HOCLYGCPSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000128711357 388787405 /nfs/dbraw/zinc/78/74/05/388787405.db2.gz CIFXQUSMUSDHKL-GDBMZVCRSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]Cc1ccccc1 ZINC000128711399 323174418 /nfs/dbraw/zinc/17/44/18/323174418.db2.gz MHQOJVOZKQAJDI-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000128711566 324875668 /nfs/dbraw/zinc/87/56/68/324875668.db2.gz CIFXQUSMUSDHKL-GOEBONIOSA-N 1 0 247.382 3.624 20 0 BHADRO CCCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000128720459 387754016 /nfs/dbraw/zinc/75/40/16/387754016.db2.gz RPMGSECKKDMWTN-UHFFFAOYSA-N 1 0 217.312 3.631 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC000128724071 490587887 /nfs/dbraw/zinc/58/78/87/490587887.db2.gz WSKYYGGSRLPANF-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC000128724368 490587801 /nfs/dbraw/zinc/58/78/01/490587801.db2.gz WSKYYGGSRLPANF-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC000128724569 490588081 /nfs/dbraw/zinc/58/80/81/490588081.db2.gz WSKYYGGSRLPANF-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC000128724780 490587768 /nfs/dbraw/zinc/58/77/68/490587768.db2.gz WSKYYGGSRLPANF-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CCc1ccco1 ZINC000128729689 388789398 /nfs/dbraw/zinc/78/93/98/388789398.db2.gz KMJOQXZMKAWMNH-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO c1ccc(CCCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000128730450 490588053 /nfs/dbraw/zinc/58/80/53/490588053.db2.gz GTVUQCDATRKNKD-UHFFFAOYSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H]([NH2+]CCCCc1ccccc1)C1CCC1 ZINC000128730694 490588249 /nfs/dbraw/zinc/58/82/49/490588249.db2.gz YOJBOJQNJINSPB-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]([NH2+]CCCCc1ccccc1)C1CCC1 ZINC000128730939 490587752 /nfs/dbraw/zinc/58/77/52/490587752.db2.gz YOJBOJQNJINSPB-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCCCc1ccccc1 ZINC000128733499 490587611 /nfs/dbraw/zinc/58/76/11/490587611.db2.gz LTNIGBLBVTYUNE-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCCCc1ccccc1 ZINC000128733717 490588805 /nfs/dbraw/zinc/58/88/05/490588805.db2.gz LTNIGBLBVTYUNE-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]([NH2+]CCCCc1ccccc1)c1ccco1 ZINC000128735875 490588918 /nfs/dbraw/zinc/58/89/18/490588918.db2.gz VSTBQDHITKIXPA-AWEZNQCLSA-N 1 0 243.350 3.953 20 0 BHADRO C[C@@H]([NH2+]CCCCc1ccccc1)c1ccco1 ZINC000128736083 490588784 /nfs/dbraw/zinc/58/87/84/490588784.db2.gz VSTBQDHITKIXPA-CQSZACIVSA-N 1 0 243.350 3.953 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000128738190 490588841 /nfs/dbraw/zinc/58/88/41/490588841.db2.gz PVOKRMDFSUTIPS-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000128738397 490589033 /nfs/dbraw/zinc/58/90/33/490589033.db2.gz PVOKRMDFSUTIPS-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000128738661 490588993 /nfs/dbraw/zinc/58/89/93/490588993.db2.gz PVOKRMDFSUTIPS-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000128738842 490589012 /nfs/dbraw/zinc/58/90/12/490589012.db2.gz PVOKRMDFSUTIPS-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000128751294 591157255 /nfs/dbraw/zinc/15/72/55/591157255.db2.gz JRPXUHLLUBIDMR-ZJUUUORDSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000128751545 591157595 /nfs/dbraw/zinc/15/75/95/591157595.db2.gz JRPXUHLLUBIDMR-UWVGGRQHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000128751769 591157787 /nfs/dbraw/zinc/15/77/87/591157787.db2.gz JRPXUHLLUBIDMR-NXEZZACHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000128751993 591156622 /nfs/dbraw/zinc/15/66/22/591156622.db2.gz JRPXUHLLUBIDMR-VHSXEESVSA-N 1 0 226.751 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CCC1 ZINC000128756060 388790953 /nfs/dbraw/zinc/79/09/53/388790953.db2.gz HIVPCJLQNKQXDR-LRDDRELGSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C1CCC1 ZINC000128756276 324880504 /nfs/dbraw/zinc/88/05/04/324880504.db2.gz HIVPCJLQNKQXDR-WBMJQRKESA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CCC1 ZINC000128756507 388791080 /nfs/dbraw/zinc/79/10/80/388791080.db2.gz HIVPCJLQNKQXDR-BLLLJJGKSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C1CCC1 ZINC000128756724 388790399 /nfs/dbraw/zinc/79/03/99/388790399.db2.gz HIVPCJLQNKQXDR-MLGOLLRUSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)c1ccccc1 ZINC000128759956 388790549 /nfs/dbraw/zinc/79/05/49/388790549.db2.gz QVBFEMOVGUOSBU-OKILXGFUSA-N 1 0 245.366 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CCC1 ZINC000128761830 388791165 /nfs/dbraw/zinc/79/11/65/388791165.db2.gz XFWYEMQVAXITKM-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CCC1 ZINC000128762053 324881188 /nfs/dbraw/zinc/88/11/88/324881188.db2.gz XFWYEMQVAXITKM-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CCC1 ZINC000128762322 323078483 /nfs/dbraw/zinc/07/84/83/323078483.db2.gz XFWYEMQVAXITKM-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)C1CC1 ZINC000128762410 324881146 /nfs/dbraw/zinc/88/11/46/324881146.db2.gz VNJOLGQLIJMKBZ-JTQLQIEISA-N 1 0 223.747 3.537 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CCC1 ZINC000128762549 388790444 /nfs/dbraw/zinc/79/04/44/388790444.db2.gz XFWYEMQVAXITKM-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H](C)C1CC1 ZINC000128762618 388791364 /nfs/dbraw/zinc/79/13/64/388791364.db2.gz VNJOLGQLIJMKBZ-SNVBAGLBSA-N 1 0 223.747 3.537 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccc(Cl)nc1 ZINC000128769149 385070207 /nfs/dbraw/zinc/07/02/07/385070207.db2.gz ZDZJKXUHIIYEPG-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(Cl)nc1 ZINC000128769378 385070741 /nfs/dbraw/zinc/07/07/41/385070741.db2.gz ZDZJKXUHIIYEPG-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)nc1 ZINC000128771366 591161584 /nfs/dbraw/zinc/16/15/84/591161584.db2.gz GTNAHADZHICCNR-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)nc1 ZINC000128771585 591161707 /nfs/dbraw/zinc/16/17/07/591161707.db2.gz GTNAHADZHICCNR-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H](C)CC1CCC1 ZINC000128777175 490590996 /nfs/dbraw/zinc/59/09/96/490590996.db2.gz CDPZHHQSMMAQEU-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H](C)CC1CCC1 ZINC000128777426 490591058 /nfs/dbraw/zinc/59/10/58/490591058.db2.gz CDPZHHQSMMAQEU-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COC ZINC000128778773 388792477 /nfs/dbraw/zinc/79/24/77/388792477.db2.gz UHRDKTXGEPDFFW-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COC ZINC000128778993 324882823 /nfs/dbraw/zinc/88/28/23/324882823.db2.gz UHRDKTXGEPDFFW-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1COC ZINC000128779252 324883052 /nfs/dbraw/zinc/88/30/52/324883052.db2.gz UHRDKTXGEPDFFW-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1COC ZINC000128779468 388793082 /nfs/dbraw/zinc/79/30/82/388793082.db2.gz UHRDKTXGEPDFFW-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)C(C)(C)C ZINC000128789676 387756544 /nfs/dbraw/zinc/75/65/44/387756544.db2.gz ATHITWDASSBHDE-AAEUAGOBSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C(C)(C)C ZINC000128789907 358580294 /nfs/dbraw/zinc/58/02/94/358580294.db2.gz ATHITWDASSBHDE-WCQYABFASA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)C(C)(C)C ZINC000128790104 171545719 /nfs/dbraw/zinc/54/57/19/171545719.db2.gz ATHITWDASSBHDE-YPMHNXCESA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)C(C)(C)C ZINC000128790350 358580154 /nfs/dbraw/zinc/58/01/54/358580154.db2.gz ATHITWDASSBHDE-DGCLKSJQSA-N 1 0 220.360 3.557 20 0 BHADRO FCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000128821269 385075511 /nfs/dbraw/zinc/07/55/11/385075511.db2.gz REQWGKZFTVUSQU-UHFFFAOYSA-N 1 0 243.325 3.725 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000128823888 388797901 /nfs/dbraw/zinc/79/79/01/388797901.db2.gz JJLOLXMTKALDPD-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(CC)[N@@H+](Cc1cnoc1C)CC(C)C ZINC000128832313 388798518 /nfs/dbraw/zinc/79/85/18/388798518.db2.gz VRWUGXDOOXTEES-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO CC(C)C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000128844954 324892055 /nfs/dbraw/zinc/89/20/55/324892055.db2.gz ZFWIUADDUVNNEH-UHFFFAOYSA-N 1 0 209.377 3.759 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCSc1ccccc1 ZINC000128847261 324892295 /nfs/dbraw/zinc/89/22/95/324892295.db2.gz BWBDHNBFAMLLPU-CYBMUJFWSA-N 1 0 237.412 3.805 20 0 BHADRO CC[C@H](C)C[NH2+]CCCSc1ccccc1 ZINC000128847512 388800607 /nfs/dbraw/zinc/80/06/07/388800607.db2.gz BWBDHNBFAMLLPU-ZDUSSCGKSA-N 1 0 237.412 3.805 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1cccc(Cl)c1 ZINC000128848693 324892767 /nfs/dbraw/zinc/89/27/67/324892767.db2.gz BDQZWJJGUNOVDE-LLVKDONJSA-N 1 0 225.763 3.518 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1cccc(Cl)c1 ZINC000128848896 324892965 /nfs/dbraw/zinc/89/29/65/324892965.db2.gz BDQZWJJGUNOVDE-NSHDSACASA-N 1 0 225.763 3.518 20 0 BHADRO CC[C@@H](C)C[NH2+]CCSCc1ccccc1 ZINC000128849385 170706869 /nfs/dbraw/zinc/70/68/69/170706869.db2.gz UAYBPQNWBKWUGI-CYBMUJFWSA-N 1 0 237.412 3.556 20 0 BHADRO CC[C@H](C)C[NH2+]CCSCc1ccccc1 ZINC000128849627 171284902 /nfs/dbraw/zinc/28/49/02/171284902.db2.gz UAYBPQNWBKWUGI-ZDUSSCGKSA-N 1 0 237.412 3.556 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](CC)c1ccccc1 ZINC000128849867 324892903 /nfs/dbraw/zinc/89/29/03/324892903.db2.gz UJWICZKUCQKOTI-ZIAGYGMSSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](CC)c1ccccc1 ZINC000128850083 324893328 /nfs/dbraw/zinc/89/33/28/324893328.db2.gz UJWICZKUCQKOTI-UONOGXRCSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](CC)c1ccccc1 ZINC000128850344 388799818 /nfs/dbraw/zinc/79/98/18/388799818.db2.gz UJWICZKUCQKOTI-KGLIPLIRSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000128850561 388800376 /nfs/dbraw/zinc/80/03/76/388800376.db2.gz UJWICZKUCQKOTI-KBPBESRZSA-N 1 0 219.372 3.816 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCC1 ZINC000128856431 388800009 /nfs/dbraw/zinc/80/00/09/388800009.db2.gz KWCYGRRQLDUSDR-ZMLRMANQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCC1 ZINC000128856915 324892888 /nfs/dbraw/zinc/89/28/88/324892888.db2.gz KWCYGRRQLDUSDR-DLOVCJGASA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2CC(C)C2)cc1 ZINC000128858532 323007856 /nfs/dbraw/zinc/00/78/56/323007856.db2.gz BLKJQUQVGAMBSH-UHFFFAOYSA-N 1 0 217.356 3.698 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCC1 ZINC000128865097 343175155 /nfs/dbraw/zinc/17/51/55/343175155.db2.gz QSUYRKCVTCZEJU-ZMLRMANQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCC1 ZINC000128865319 344208832 /nfs/dbraw/zinc/20/88/32/344208832.db2.gz QSUYRKCVTCZEJU-ADEWGFFLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCC1 ZINC000128871317 591171033 /nfs/dbraw/zinc/17/10/33/591171033.db2.gz HVXYKAWGDKCKJS-GCVQQVDUSA-N 1 0 249.320 3.886 20 0 BHADRO CC1CC([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000128871515 388802047 /nfs/dbraw/zinc/80/20/47/388802047.db2.gz VVWVRYJDCDXIMG-UHFFFAOYSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCC1 ZINC000128871538 591171322 /nfs/dbraw/zinc/17/13/22/591171322.db2.gz HVXYKAWGDKCKJS-OIKLOGQESA-N 1 0 249.320 3.886 20 0 BHADRO CC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000128873288 388801266 /nfs/dbraw/zinc/80/12/66/388801266.db2.gz HZBUDKBYSPFDSI-UHFFFAOYSA-N 1 0 244.165 3.882 20 0 BHADRO CC(C)C1CCC([NH2+]C2CC(C)C2)CC1 ZINC000128880535 388802420 /nfs/dbraw/zinc/80/24/20/388802420.db2.gz WIMWFFLDWUOAQM-UHFFFAOYSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC000128882396 322961851 /nfs/dbraw/zinc/96/18/51/322961851.db2.gz ZLJNDKHCCMNFFQ-LLVKDONJSA-N 1 0 225.763 3.518 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1ccccc1Cl ZINC000128882626 324894864 /nfs/dbraw/zinc/89/48/64/324894864.db2.gz ZLJNDKHCCMNFFQ-NSHDSACASA-N 1 0 225.763 3.518 20 0 BHADRO CC1CC([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000128886548 388802615 /nfs/dbraw/zinc/80/26/15/388802615.db2.gz XEVFRXLDGJAEJN-UHFFFAOYSA-N 1 0 244.165 3.882 20 0 BHADRO CC1CC([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000128886765 324894757 /nfs/dbraw/zinc/89/47/57/324894757.db2.gz BSBBYMAMJHUXCE-UHFFFAOYSA-N 1 0 244.165 3.882 20 0 BHADRO CC1CC([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000128890538 388802323 /nfs/dbraw/zinc/80/23/23/388802323.db2.gz MQOQRILYQBLHRO-UHFFFAOYSA-N 1 0 244.165 3.882 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000128907857 324896247 /nfs/dbraw/zinc/89/62/47/324896247.db2.gz XJGCGDXLNLUMAG-SLEUVZQESA-N 1 0 217.356 3.871 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000128908318 388804224 /nfs/dbraw/zinc/80/42/24/388804224.db2.gz XJGCGDXLNLUMAG-HUBLWGQQSA-N 1 0 217.356 3.871 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000128908610 388804480 /nfs/dbraw/zinc/80/44/80/388804480.db2.gz LOQCNNYNJPAFHT-IAQYHMDHSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000128908854 323007842 /nfs/dbraw/zinc/00/78/42/323007842.db2.gz LOQCNNYNJPAFHT-XHDPSFHLSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000128909100 388803160 /nfs/dbraw/zinc/80/31/60/388803160.db2.gz LOQCNNYNJPAFHT-ABAIWWIYSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000128909339 323007786 /nfs/dbraw/zinc/00/77/86/323007786.db2.gz LOQCNNYNJPAFHT-NHYWBVRUSA-N 1 0 217.356 3.618 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccccc1C ZINC000128921351 384964434 /nfs/dbraw/zinc/96/44/34/384964434.db2.gz KWJSXLSORPBKSK-CYBMUJFWSA-N 1 0 203.329 3.612 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccccc1C ZINC000128921594 384964816 /nfs/dbraw/zinc/96/48/16/384964816.db2.gz KWJSXLSORPBKSK-ZDUSSCGKSA-N 1 0 203.329 3.612 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000128921824 386028155 /nfs/dbraw/zinc/02/81/55/386028155.db2.gz BBECNASQAJOIBR-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000128922042 386028253 /nfs/dbraw/zinc/02/82/53/386028253.db2.gz BBECNASQAJOIBR-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000128922279 187359186 /nfs/dbraw/zinc/35/91/86/187359186.db2.gz LAVOQJDPRPRFRD-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000128922523 188221125 /nfs/dbraw/zinc/22/11/25/188221125.db2.gz LAVOQJDPRPRFRD-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000128927874 324898335 /nfs/dbraw/zinc/89/83/35/324898335.db2.gz UVIXFMHZAHGCHV-HUBLWGQQSA-N 1 0 217.356 3.556 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000128928290 324897958 /nfs/dbraw/zinc/89/79/58/324897958.db2.gz UVIXFMHZAHGCHV-SLEUVZQESA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000128932108 490594634 /nfs/dbraw/zinc/59/46/34/490594634.db2.gz WSXOPTCARAGVQR-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000128932332 490594849 /nfs/dbraw/zinc/59/48/49/490594849.db2.gz WSXOPTCARAGVQR-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000128942886 324898807 /nfs/dbraw/zinc/89/88/07/324898807.db2.gz QHCZWGLRLGSYFT-SNVBAGLBSA-N 1 0 243.753 3.657 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000128943144 324899158 /nfs/dbraw/zinc/89/91/58/324899158.db2.gz QHCZWGLRLGSYFT-JTQLQIEISA-N 1 0 243.753 3.657 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000128944721 324899948 /nfs/dbraw/zinc/89/99/48/324899948.db2.gz WMAYZUGZFLJYQQ-SKDRFNHKSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000128944939 324899823 /nfs/dbraw/zinc/89/98/23/324899823.db2.gz WMAYZUGZFLJYQQ-CABZTGNLSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000128945200 324899806 /nfs/dbraw/zinc/89/98/06/324899806.db2.gz WMAYZUGZFLJYQQ-BXKDBHETSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000128945437 324900082 /nfs/dbraw/zinc/90/00/82/324900082.db2.gz WMAYZUGZFLJYQQ-JOYOIKCWSA-N 1 0 241.737 3.757 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccsc1 ZINC000128952248 384967525 /nfs/dbraw/zinc/96/75/25/384967525.db2.gz OLWJKFRLHMNGRI-JTQLQIEISA-N 1 0 229.414 3.542 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccsc1 ZINC000128952477 170629935 /nfs/dbraw/zinc/62/99/35/170629935.db2.gz OLWJKFRLHMNGRI-SNVBAGLBSA-N 1 0 229.414 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1OC ZINC000128953203 591193338 /nfs/dbraw/zinc/19/33/38/591193338.db2.gz OINJRKHFIVPOBS-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1OC ZINC000128953405 591193440 /nfs/dbraw/zinc/19/34/40/591193440.db2.gz OINJRKHFIVPOBS-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1OC ZINC000128953643 591192972 /nfs/dbraw/zinc/19/29/72/591192972.db2.gz OINJRKHFIVPOBS-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1OC ZINC000128953890 591193045 /nfs/dbraw/zinc/19/30/45/591193045.db2.gz OINJRKHFIVPOBS-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000128963200 388806804 /nfs/dbraw/zinc/80/68/04/388806804.db2.gz KHBFZSWMVADGID-LLVKDONJSA-N 1 0 223.335 3.697 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000128963414 324901190 /nfs/dbraw/zinc/90/11/90/324901190.db2.gz KHBFZSWMVADGID-NSHDSACASA-N 1 0 223.335 3.697 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)c1ccccc1 ZINC000128964153 388805939 /nfs/dbraw/zinc/80/59/39/388805939.db2.gz PCEVFRCNELGPOF-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC(C)(C)c1ccccc1 ZINC000128964347 324900746 /nfs/dbraw/zinc/90/07/46/324900746.db2.gz PCEVFRCNELGPOF-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000128966124 323008004 /nfs/dbraw/zinc/00/80/04/323008004.db2.gz CPIOAENEASRZNC-TZMCWYRMSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000128966342 388806651 /nfs/dbraw/zinc/80/66/51/388806651.db2.gz CPIOAENEASRZNC-GXTWGEPZSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000128966533 324901199 /nfs/dbraw/zinc/90/11/99/324901199.db2.gz CPIOAENEASRZNC-OCCSQVGLSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000128966723 388806570 /nfs/dbraw/zinc/80/65/70/388806570.db2.gz CPIOAENEASRZNC-JSGCOSHPSA-N 1 0 219.372 3.734 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000128968583 324900999 /nfs/dbraw/zinc/90/09/99/324900999.db2.gz FIGCDXSHIQDJEQ-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000128968790 323008081 /nfs/dbraw/zinc/00/80/81/323008081.db2.gz FIGCDXSHIQDJEQ-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000128968998 388808065 /nfs/dbraw/zinc/80/80/65/388808065.db2.gz FIGCDXSHIQDJEQ-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000128969220 388807770 /nfs/dbraw/zinc/80/77/70/388807770.db2.gz FIGCDXSHIQDJEQ-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000128969438 388807450 /nfs/dbraw/zinc/80/74/50/388807450.db2.gz ZTXHPPPCEZQRAH-GUTXKFCHSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000128969661 324901069 /nfs/dbraw/zinc/90/10/69/324901069.db2.gz ZTXHPPPCEZQRAH-NFAWXSAZSA-N 1 0 249.398 3.787 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCc2occc21 ZINC000128975083 541351702 /nfs/dbraw/zinc/35/17/02/541351702.db2.gz SHNWGHAWFJFYEX-SMDDNHRTSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCc2occc21 ZINC000128975278 541351670 /nfs/dbraw/zinc/35/16/70/541351670.db2.gz SHNWGHAWFJFYEX-BXUZGUMPSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCc2occc21 ZINC000128975485 541351662 /nfs/dbraw/zinc/35/16/62/541351662.db2.gz SHNWGHAWFJFYEX-FZMZJTMJSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCc2occc21 ZINC000128975770 541351650 /nfs/dbraw/zinc/35/16/50/541351650.db2.gz SHNWGHAWFJFYEX-RISCZKNCSA-N 1 0 233.355 3.825 20 0 BHADRO CCCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000128991080 323007976 /nfs/dbraw/zinc/00/79/76/323007976.db2.gz POSLGQPYWHDTOW-UHFFFAOYSA-N 1 0 219.372 3.788 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000128991349 324904806 /nfs/dbraw/zinc/90/48/06/324904806.db2.gz XTSBXDQTAAFUHD-TZMCWYRMSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000128991570 388810309 /nfs/dbraw/zinc/81/03/09/388810309.db2.gz XTSBXDQTAAFUHD-GXTWGEPZSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000128991799 388809654 /nfs/dbraw/zinc/80/96/54/388809654.db2.gz XTSBXDQTAAFUHD-OCCSQVGLSA-N 1 0 219.372 3.734 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000128992001 388809642 /nfs/dbraw/zinc/80/96/42/388809642.db2.gz XTSBXDQTAAFUHD-JSGCOSHPSA-N 1 0 219.372 3.734 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCc1cccs1 ZINC000129009632 324906498 /nfs/dbraw/zinc/90/64/98/324906498.db2.gz RBBGNNNTIYPNDR-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000129017267 388812099 /nfs/dbraw/zinc/81/20/99/388812099.db2.gz KLDDUAAOKQKBOQ-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCc1ccsc1 ZINC000129019261 387761689 /nfs/dbraw/zinc/76/16/89/387761689.db2.gz HLJWZDQHAXIKQA-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000129020772 388811781 /nfs/dbraw/zinc/81/17/81/388811781.db2.gz KKJMRRRABVZFPD-CHWSQXEVSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000129021001 388811232 /nfs/dbraw/zinc/81/12/32/388811232.db2.gz KKJMRRRABVZFPD-QWHCGFSZSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)Sc1ccccc1 ZINC000129021227 324907367 /nfs/dbraw/zinc/90/73/67/324907367.db2.gz KKJMRRRABVZFPD-OLZOCXBDSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)Sc1ccccc1 ZINC000129021425 388811012 /nfs/dbraw/zinc/81/10/12/388811012.db2.gz KKJMRRRABVZFPD-STQMWFEESA-N 1 0 237.412 3.803 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2C)s1 ZINC000129030993 387762090 /nfs/dbraw/zinc/76/20/90/387762090.db2.gz RVDDUOBXVSEBNF-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc(F)ccc1SC ZINC000129031844 388811833 /nfs/dbraw/zinc/81/18/33/388811833.db2.gz NGPDYWGHICFVQD-SNVBAGLBSA-N 1 0 241.375 3.683 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc(F)ccc1SC ZINC000129032064 324909182 /nfs/dbraw/zinc/90/91/82/324909182.db2.gz NGPDYWGHICFVQD-JTQLQIEISA-N 1 0 241.375 3.683 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000129039065 324910094 /nfs/dbraw/zinc/91/00/94/324910094.db2.gz DZSNULCOHPLIGJ-MJBXVCDLSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000129039454 324909596 /nfs/dbraw/zinc/90/95/96/324909596.db2.gz DZSNULCOHPLIGJ-BFHYXJOUSA-N 1 0 219.372 3.814 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1csc(C)n1 ZINC000129042546 324910053 /nfs/dbraw/zinc/91/00/53/324910053.db2.gz XFBUVDJZGRCVRT-UHFFFAOYSA-N 1 0 240.416 3.552 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000129044729 387759782 /nfs/dbraw/zinc/75/97/82/387759782.db2.gz PDNMPRGYVLSNFO-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000129045160 387759837 /nfs/dbraw/zinc/75/98/37/387759837.db2.gz PDNMPRGYVLSNFO-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000129045620 388812588 /nfs/dbraw/zinc/81/25/88/388812588.db2.gz UHJDKSSZKHFHGF-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000129046085 388813047 /nfs/dbraw/zinc/81/30/47/388813047.db2.gz UHJDKSSZKHFHGF-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000129047577 388813192 /nfs/dbraw/zinc/81/31/92/388813192.db2.gz WQLWQDYYQFIORB-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000129048430 388813422 /nfs/dbraw/zinc/81/34/22/388813422.db2.gz HQHYLYZJEOGEEE-SNVBAGLBSA-N 1 0 243.803 3.744 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cc(F)ccc1C ZINC000129048690 386046591 /nfs/dbraw/zinc/04/65/91/386046591.db2.gz JTSJTGHUWOGDJP-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000129049424 324911288 /nfs/dbraw/zinc/91/12/88/324911288.db2.gz NNTXNDDJWTXVQF-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000129049641 324911612 /nfs/dbraw/zinc/91/16/12/324911612.db2.gz NNTXNDDJWTXVQF-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccccc1C ZINC000129050474 323008158 /nfs/dbraw/zinc/00/81/58/323008158.db2.gz PHXZBYCOKKNOSQ-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccccc1C ZINC000129050860 388813747 /nfs/dbraw/zinc/81/37/47/388813747.db2.gz PHXZBYCOKKNOSQ-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000129051898 388812707 /nfs/dbraw/zinc/81/27/07/388812707.db2.gz KUUKZUNWRRRSEH-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H](C)C1CCCCC1 ZINC000129052363 324911578 /nfs/dbraw/zinc/91/15/78/324911578.db2.gz KUUKZUNWRRRSEH-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1cccs1 ZINC000129054032 582715239 /nfs/dbraw/zinc/71/52/39/582715239.db2.gz SGBNFWUMRXFNIG-JTQLQIEISA-N 1 0 229.414 3.542 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1cccs1 ZINC000129054270 582715590 /nfs/dbraw/zinc/71/55/90/582715590.db2.gz SGBNFWUMRXFNIG-SNVBAGLBSA-N 1 0 229.414 3.542 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000129056274 388813164 /nfs/dbraw/zinc/81/31/64/388813164.db2.gz YBODBAXHQBEIED-PWSUYJOCSA-N 1 0 223.335 3.831 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000129056452 323008172 /nfs/dbraw/zinc/00/81/72/323008172.db2.gz YBODBAXHQBEIED-JQWIXIFHSA-N 1 0 223.335 3.831 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000129056651 388813512 /nfs/dbraw/zinc/81/35/12/388813512.db2.gz YBODBAXHQBEIED-ZYHUDNBSSA-N 1 0 223.335 3.831 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCSCC1 ZINC000129056791 388813604 /nfs/dbraw/zinc/81/36/04/388813604.db2.gz FPSQGHAHOMCNLF-HNNXBMFYSA-N 1 0 247.407 3.503 20 0 BHADRO CCc1ccc(C[NH2+]C2(CC)CCC2)s1 ZINC000129056843 324912342 /nfs/dbraw/zinc/91/23/42/324912342.db2.gz WZPPVNZEOLPNML-UHFFFAOYSA-N 1 0 223.385 3.733 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000129056855 324912053 /nfs/dbraw/zinc/91/20/53/324912053.db2.gz YBODBAXHQBEIED-CMPLNLGQSA-N 1 0 223.335 3.831 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCSCC1 ZINC000129057002 388812685 /nfs/dbraw/zinc/81/26/85/388812685.db2.gz FPSQGHAHOMCNLF-OAHLLOKOSA-N 1 0 247.407 3.503 20 0 BHADRO CCC1([NH2+]Cc2cccc(Cl)c2)CCC1 ZINC000129058283 388815390 /nfs/dbraw/zinc/81/53/90/388815390.db2.gz ATLCYXTZZNMZHD-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000129058351 388814915 /nfs/dbraw/zinc/81/49/15/388814915.db2.gz AGICMFKJIHWZHT-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000129058587 487875647 /nfs/dbraw/zinc/87/56/47/487875647.db2.gz AGICMFKJIHWZHT-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCC1([NH2+]Cc2ccc(SC)cc2)CCC1 ZINC000129058721 323008199 /nfs/dbraw/zinc/00/81/99/323008199.db2.gz UGILJBJCXDFNEF-UHFFFAOYSA-N 1 0 235.396 3.831 20 0 BHADRO CCC1([NH2+]Cc2cc(C)ccc2C)CCC1 ZINC000129058989 324912936 /nfs/dbraw/zinc/91/29/36/324912936.db2.gz MWNQVMSWNILCJA-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCC1([NH2+]Cc2cc(C)cc(C)c2)CCC1 ZINC000129059892 323008098 /nfs/dbraw/zinc/00/80/98/323008098.db2.gz UTHISIVCQQFVMF-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccccc2)CCC1 ZINC000129060103 388815019 /nfs/dbraw/zinc/81/50/19/388815019.db2.gz JYUSGXWJCKRGQM-UXBLZVDNSA-N 1 0 215.340 3.622 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)c(F)c2)CCC1 ZINC000129061016 324912956 /nfs/dbraw/zinc/91/29/56/324912956.db2.gz FIMIKWWVXKWUQJ-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000129062150 388815599 /nfs/dbraw/zinc/81/55/99/388815599.db2.gz QSZRBSFBBHQNGA-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(C)c2)CCC1 ZINC000129063115 324913176 /nfs/dbraw/zinc/91/31/76/324913176.db2.gz NETTUKNTUDNKPV-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CCc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000129065251 388815001 /nfs/dbraw/zinc/81/50/01/388815001.db2.gz CDQLPRNUDOVNBM-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)c(C)c2)CCC1 ZINC000129065443 324913020 /nfs/dbraw/zinc/91/30/20/324913020.db2.gz WFEHAOCOHFTUMQ-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC000129066565 388815314 /nfs/dbraw/zinc/81/53/14/388815314.db2.gz LWYUFBVMUUJJEG-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO CCC1([NH2+]Cc2ccccc2Cl)CCC1 ZINC000129068158 388814701 /nfs/dbraw/zinc/81/47/01/388814701.db2.gz OQRZENOVVBBUPA-UHFFFAOYSA-N 1 0 223.747 3.762 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC000129073216 324914187 /nfs/dbraw/zinc/91/41/87/324914187.db2.gz BMXNLIUEUCJHPO-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)cc2C)CCC1 ZINC000129076470 324913869 /nfs/dbraw/zinc/91/38/69/324913869.db2.gz LDIXAKNKYZUSNS-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO CCC1([NH2+]Cc2cccc(C)c2C)CCC1 ZINC000129076690 324914284 /nfs/dbraw/zinc/91/42/84/324914284.db2.gz PUOSYYSWMNXSHH-UHFFFAOYSA-N 1 0 217.356 3.726 20 0 BHADRO COCc1cccc(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000129081133 490599269 /nfs/dbraw/zinc/59/92/69/490599269.db2.gz SSYGPZILUNNOOL-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000129081347 490599271 /nfs/dbraw/zinc/59/92/71/490599271.db2.gz SSYGPZILUNNOOL-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000129086510 343175979 /nfs/dbraw/zinc/17/59/79/343175979.db2.gz JZMCZAMBADAQBH-UHFFFAOYSA-N 1 0 247.357 3.660 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCCC(F)(F)F ZINC000129087179 385108357 /nfs/dbraw/zinc/10/83/57/385108357.db2.gz WBXPDPATBDYRJP-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000129088657 490600380 /nfs/dbraw/zinc/60/03/80/490600380.db2.gz QWWFYHGPAGXDAF-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000129088855 490600029 /nfs/dbraw/zinc/60/00/29/490600029.db2.gz QWWFYHGPAGXDAF-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCC(CC)COc1ccc([C@@H](C)[NH3+])cc1 ZINC000129096947 490598672 /nfs/dbraw/zinc/59/86/72/490598672.db2.gz FBDRCFAMVNMHLH-LLVKDONJSA-N 1 0 221.344 3.521 20 0 BHADRO CCC(CC)COc1ccc([C@H](C)[NH3+])cc1 ZINC000129097156 490598663 /nfs/dbraw/zinc/59/86/63/490598663.db2.gz FBDRCFAMVNMHLH-NSHDSACASA-N 1 0 221.344 3.521 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cn1 ZINC000129104573 324918417 /nfs/dbraw/zinc/91/84/17/324918417.db2.gz WRROMVPWURMVTN-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCCC(C)C)cn1 ZINC000129104816 388818649 /nfs/dbraw/zinc/81/86/49/388818649.db2.gz WRROMVPWURMVTN-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)nc1)C1CCCCC1 ZINC000129105034 490600002 /nfs/dbraw/zinc/60/00/02/490600002.db2.gz ABPOVJFAGJCAQD-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)C1CCCCC1 ZINC000129105226 490600121 /nfs/dbraw/zinc/60/01/21/490600121.db2.gz ABPOVJFAGJCAQD-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000129116251 490600430 /nfs/dbraw/zinc/60/04/30/490600430.db2.gz QDDCRQIBBWGNDM-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000129116497 490600280 /nfs/dbraw/zinc/60/02/80/490600280.db2.gz QDDCRQIBBWGNDM-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000129144365 490600988 /nfs/dbraw/zinc/60/09/88/490600988.db2.gz KFKWSBMONDMGID-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000129144558 490600962 /nfs/dbraw/zinc/60/09/62/490600962.db2.gz KFKWSBMONDMGID-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC1CCC1 ZINC000129145768 490354032 /nfs/dbraw/zinc/35/40/32/490354032.db2.gz ZMZPVPBXJOSJFV-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC1CCC1 ZINC000129145977 490600997 /nfs/dbraw/zinc/60/09/97/490600997.db2.gz ZMZPVPBXJOSJFV-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000129146239 490600996 /nfs/dbraw/zinc/60/09/96/490600996.db2.gz ZMZPVPBXJOSJFV-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CC1CCC1 ZINC000129146467 490354039 /nfs/dbraw/zinc/35/40/39/490354039.db2.gz ZMZPVPBXJOSJFV-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000129147326 388820711 /nfs/dbraw/zinc/82/07/11/388820711.db2.gz BOGFQUBZUGTTPK-ZJUUUORDSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000129147476 324922348 /nfs/dbraw/zinc/92/23/48/324922348.db2.gz BOGFQUBZUGTTPK-UWVGGRQHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000129147675 324922390 /nfs/dbraw/zinc/92/23/90/324922390.db2.gz BOGFQUBZUGTTPK-NXEZZACHSA-N 1 0 227.298 3.662 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000129147886 388820007 /nfs/dbraw/zinc/82/00/07/388820007.db2.gz BOGFQUBZUGTTPK-VHSXEESVSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000129159526 388822746 /nfs/dbraw/zinc/82/27/46/388822746.db2.gz GVJWJEDHMZKHJF-SUNKGSAMSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000129159945 324923127 /nfs/dbraw/zinc/92/31/27/324923127.db2.gz GVJWJEDHMZKHJF-UHIISALHSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncs2)cc1 ZINC000129162373 385117209 /nfs/dbraw/zinc/11/72/09/385117209.db2.gz RZWFSCKULMUXND-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cncs2)cc1 ZINC000129162549 385117719 /nfs/dbraw/zinc/11/77/19/385117719.db2.gz RZWFSCKULMUXND-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncs2)cc1 ZINC000129162792 385117551 /nfs/dbraw/zinc/11/75/51/385117551.db2.gz RZWFSCKULMUXND-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cncs2)cc1 ZINC000129163006 385115853 /nfs/dbraw/zinc/11/58/53/385115853.db2.gz RZWFSCKULMUXND-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cnccc1C ZINC000129170603 385115883 /nfs/dbraw/zinc/11/58/83/385115883.db2.gz USZAPUFQFZPLII-ZDUSSCGKSA-N 1 0 220.360 3.621 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cnccc1C ZINC000129170816 385116412 /nfs/dbraw/zinc/11/64/12/385116412.db2.gz USZAPUFQFZPLII-CYBMUJFWSA-N 1 0 220.360 3.621 20 0 BHADRO c1coc(C[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000129186853 387763731 /nfs/dbraw/zinc/76/37/31/387763731.db2.gz RHVKAFSNFNEYLB-UHFFFAOYSA-N 1 0 233.355 3.872 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccs1)C(C)(C)C ZINC000129198328 384983929 /nfs/dbraw/zinc/98/39/29/384983929.db2.gz MWTNZGRZSNNUDD-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccs1)C(C)(C)C ZINC000129198517 170909857 /nfs/dbraw/zinc/90/98/57/170909857.db2.gz MWTNZGRZSNNUDD-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000129198564 324927722 /nfs/dbraw/zinc/92/77/22/324927722.db2.gz HOTYILMRZVXPNI-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccs1)C(C)(C)C ZINC000129198730 384982987 /nfs/dbraw/zinc/98/29/87/384982987.db2.gz MWTNZGRZSNNUDD-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000129198822 388824710 /nfs/dbraw/zinc/82/47/10/388824710.db2.gz HOTYILMRZVXPNI-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nccs1)C(C)(C)C ZINC000129198946 344211152 /nfs/dbraw/zinc/21/11/52/344211152.db2.gz MWTNZGRZSNNUDD-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000129210626 323090059 /nfs/dbraw/zinc/09/00/59/323090059.db2.gz MSFPAQOWCDVTDV-ZDUSSCGKSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000129210865 388826994 /nfs/dbraw/zinc/82/69/94/388826994.db2.gz MSFPAQOWCDVTDV-CYBMUJFWSA-N 1 0 235.346 3.537 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC2CCC2)c1 ZINC000129211555 490608262 /nfs/dbraw/zinc/60/82/62/490608262.db2.gz YGJOPOKCUKBPBU-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)CC2CCC2)c1 ZINC000129211744 490608490 /nfs/dbraw/zinc/60/84/90/490608490.db2.gz YGJOPOKCUKBPBU-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)c1 ZINC000129211961 490608399 /nfs/dbraw/zinc/60/83/99/490608399.db2.gz YGJOPOKCUKBPBU-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC2CCC2)c1 ZINC000129212184 490608295 /nfs/dbraw/zinc/60/82/95/490608295.db2.gz YGJOPOKCUKBPBU-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000129214868 170381029 /nfs/dbraw/zinc/38/10/29/170381029.db2.gz UPVHSONOTFCTRH-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000129226491 176051706 /nfs/dbraw/zinc/05/17/06/176051706.db2.gz XZMNCLFURWIKLQ-YPMHNXCESA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000129226709 177063320 /nfs/dbraw/zinc/06/33/20/177063320.db2.gz XZMNCLFURWIKLQ-AAEUAGOBSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000129226923 176051400 /nfs/dbraw/zinc/05/14/00/176051400.db2.gz XZMNCLFURWIKLQ-DGCLKSJQSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000129227089 177063972 /nfs/dbraw/zinc/06/39/72/177063972.db2.gz XZMNCLFURWIKLQ-WCQYABFASA-N 1 0 221.344 3.584 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000129229980 323008482 /nfs/dbraw/zinc/00/84/82/323008482.db2.gz CHUVKSQBPLLWDT-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000129230163 388826130 /nfs/dbraw/zinc/82/61/30/388826130.db2.gz CHUVKSQBPLLWDT-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO c1cncc(C[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000129233375 183492611 /nfs/dbraw/zinc/49/26/11/183492611.db2.gz PJUPYQHJKLFTHI-UHFFFAOYSA-N 1 0 244.382 3.674 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000129236743 388825661 /nfs/dbraw/zinc/82/56/61/388825661.db2.gz CXUISOQUFRBNTN-JXQTWKCFSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000129236984 324930919 /nfs/dbraw/zinc/93/09/19/324930919.db2.gz CXUISOQUFRBNTN-RUXDESIVSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129241488 324931012 /nfs/dbraw/zinc/93/10/12/324931012.db2.gz YGUZGCAAHKWLDD-DZGCQCFKSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129241710 324930859 /nfs/dbraw/zinc/93/08/59/324930859.db2.gz YGUZGCAAHKWLDD-UKRRQHHQSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129241942 324931800 /nfs/dbraw/zinc/93/18/00/324931800.db2.gz YGUZGCAAHKWLDD-ZFWWWQNUSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129242148 388828252 /nfs/dbraw/zinc/82/82/52/388828252.db2.gz YGUZGCAAHKWLDD-HIFRSBDPSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129246106 324931659 /nfs/dbraw/zinc/93/16/59/324931659.db2.gz LTTNNIBQCPXEJD-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129246308 388827800 /nfs/dbraw/zinc/82/78/00/388827800.db2.gz LTTNNIBQCPXEJD-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129246513 388828541 /nfs/dbraw/zinc/82/85/41/388828541.db2.gz LTTNNIBQCPXEJD-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129246745 388828577 /nfs/dbraw/zinc/82/85/77/388828577.db2.gz LTTNNIBQCPXEJD-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CC(C)(C)C1 ZINC000129247008 324931706 /nfs/dbraw/zinc/93/17/06/324931706.db2.gz CYJYDZDJROMOED-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CC(C)(C)C1 ZINC000129247459 388827406 /nfs/dbraw/zinc/82/74/06/388827406.db2.gz CYJYDZDJROMOED-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000129252212 323097614 /nfs/dbraw/zinc/09/76/14/323097614.db2.gz UJOMHADRZNUHFD-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000129252454 324931574 /nfs/dbraw/zinc/93/15/74/324931574.db2.gz UJOMHADRZNUHFD-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO c1coc(CC[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000129255224 324932115 /nfs/dbraw/zinc/93/21/15/324932115.db2.gz HCVFUSXTDAFVBK-UHFFFAOYSA-N 1 0 247.382 3.915 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000129257963 192079728 /nfs/dbraw/zinc/07/97/28/192079728.db2.gz UMQZFQYVIURRKX-WCQYABFASA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000129258216 358584795 /nfs/dbraw/zinc/58/47/95/358584795.db2.gz UMQZFQYVIURRKX-DGCLKSJQSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000129258429 187744685 /nfs/dbraw/zinc/74/46/85/187744685.db2.gz UMQZFQYVIURRKX-AAEUAGOBSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000129258658 358584782 /nfs/dbraw/zinc/58/47/82/358584782.db2.gz UMQZFQYVIURRKX-YPMHNXCESA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000129261408 324932283 /nfs/dbraw/zinc/93/22/83/324932283.db2.gz ITCAYXUHXMHKPX-RVMXOQNASA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1Cl ZINC000129276500 322962057 /nfs/dbraw/zinc/96/20/57/322962057.db2.gz BTWADYFWUHSRBP-OUAUKWLOSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000129276693 388828730 /nfs/dbraw/zinc/82/87/30/388828730.db2.gz BTWADYFWUHSRBP-GARJFASQSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000129276896 388828693 /nfs/dbraw/zinc/82/86/93/388828693.db2.gz BTWADYFWUHSRBP-VWYCJHECSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000129277106 388828240 /nfs/dbraw/zinc/82/82/40/388828240.db2.gz BTWADYFWUHSRBP-DCAQKATOSA-N 1 0 223.747 3.647 20 0 BHADRO C[N@@H+](Cc1nccs1)CC1CCCCCC1 ZINC000129280533 387766259 /nfs/dbraw/zinc/76/62/59/387766259.db2.gz GNHTXKTWWSFFGU-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000129285394 324934076 /nfs/dbraw/zinc/93/40/76/324934076.db2.gz HFEBDUVPQOSUTE-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000129285638 324934062 /nfs/dbraw/zinc/93/40/62/324934062.db2.gz HFEBDUVPQOSUTE-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCSC1 ZINC000129296580 388829660 /nfs/dbraw/zinc/82/96/60/388829660.db2.gz FKYNOINKDWJKOD-GFCCVEGCSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CCSC1 ZINC000129296785 388830351 /nfs/dbraw/zinc/83/03/51/388830351.db2.gz FKYNOINKDWJKOD-LBPRGKRZSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)C1CCCC1 ZINC000129300561 591275853 /nfs/dbraw/zinc/27/58/53/591275853.db2.gz WGVQOQZYJXKQNT-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)C1CCCC1 ZINC000129300775 591275901 /nfs/dbraw/zinc/27/59/01/591275901.db2.gz WGVQOQZYJXKQNT-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000129307170 324935862 /nfs/dbraw/zinc/93/58/62/324935862.db2.gz HBDRFMDQBHWORG-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000129307372 388830124 /nfs/dbraw/zinc/83/01/24/388830124.db2.gz HBDRFMDQBHWORG-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000129309204 591276559 /nfs/dbraw/zinc/27/65/59/591276559.db2.gz OIELCIWTFHEPPU-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000129309401 591276653 /nfs/dbraw/zinc/27/66/53/591276653.db2.gz OIELCIWTFHEPPU-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000129309616 591276652 /nfs/dbraw/zinc/27/66/52/591276652.db2.gz OIELCIWTFHEPPU-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)C1CC1 ZINC000129309779 491099772 /nfs/dbraw/zinc/09/97/72/491099772.db2.gz NNEBFHFBGQERIT-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000129309814 591276365 /nfs/dbraw/zinc/27/63/65/591276365.db2.gz OIELCIWTFHEPPU-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)C1CC1 ZINC000129310005 490066320 /nfs/dbraw/zinc/06/63/20/490066320.db2.gz NNEBFHFBGQERIT-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCCCC1)C1CC1 ZINC000129310224 490066325 /nfs/dbraw/zinc/06/63/25/490066325.db2.gz NNEBFHFBGQERIT-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)C1CCCCC1 ZINC000129310445 490066274 /nfs/dbraw/zinc/06/62/74/490066274.db2.gz NNEBFHFBGQERIT-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CCCC1(C)C ZINC000129310497 591276483 /nfs/dbraw/zinc/27/64/83/591276483.db2.gz UEGMXVKZCZYOLL-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCCC1(C)C ZINC000129310719 591276775 /nfs/dbraw/zinc/27/67/75/591276775.db2.gz UEGMXVKZCZYOLL-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000129315849 169379075 /nfs/dbraw/zinc/37/90/75/169379075.db2.gz CAQJCOOBBLDXEG-QWHCGFSZSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000129316078 188441189 /nfs/dbraw/zinc/44/11/89/188441189.db2.gz CAQJCOOBBLDXEG-STQMWFEESA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000129316271 169380449 /nfs/dbraw/zinc/38/04/49/169380449.db2.gz CAQJCOOBBLDXEG-CHWSQXEVSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000129316501 187233210 /nfs/dbraw/zinc/23/32/10/187233210.db2.gz CAQJCOOBBLDXEG-OLZOCXBDSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccnc1Cl ZINC000129323620 591278692 /nfs/dbraw/zinc/27/86/92/591278692.db2.gz TYIRELNOTHRZNF-WDEREUQCSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cccnc1Cl ZINC000129323854 591278447 /nfs/dbraw/zinc/27/84/47/591278447.db2.gz TYIRELNOTHRZNF-QWRGUYRKSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccnc1Cl ZINC000129324090 591278950 /nfs/dbraw/zinc/27/89/50/591278950.db2.gz TYIRELNOTHRZNF-GHMZBOCLSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cccnc1Cl ZINC000129324335 591278581 /nfs/dbraw/zinc/27/85/81/591278581.db2.gz TYIRELNOTHRZNF-MNOVXSKESA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000129325411 322962099 /nfs/dbraw/zinc/96/20/99/322962099.db2.gz WYHMEQGOFMAWEE-WCQYABFASA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000129325598 388831491 /nfs/dbraw/zinc/83/14/91/388831491.db2.gz WYHMEQGOFMAWEE-AAEUAGOBSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccsc1 ZINC000129325863 324937365 /nfs/dbraw/zinc/93/73/65/324937365.db2.gz WYHMEQGOFMAWEE-DGCLKSJQSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)Cc1ccsc1 ZINC000129326096 324936895 /nfs/dbraw/zinc/93/68/95/324936895.db2.gz WYHMEQGOFMAWEE-YPMHNXCESA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000129329784 591279254 /nfs/dbraw/zinc/27/92/54/591279254.db2.gz PNVMCVQAQWIHPT-CMPLNLGQSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000129330009 591279449 /nfs/dbraw/zinc/27/94/49/591279449.db2.gz PNVMCVQAQWIHPT-JQWIXIFHSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000129330238 591279297 /nfs/dbraw/zinc/27/92/97/591279297.db2.gz PNVMCVQAQWIHPT-ZYHUDNBSSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000129330439 591279488 /nfs/dbraw/zinc/27/94/88/591279488.db2.gz PNVMCVQAQWIHPT-PWSUYJOCSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000129331421 591279624 /nfs/dbraw/zinc/27/96/24/591279624.db2.gz BBYCUWAWNMDDAA-CMPLNLGQSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000129331632 591279219 /nfs/dbraw/zinc/27/92/19/591279219.db2.gz BBYCUWAWNMDDAA-JQWIXIFHSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000129331845 591279450 /nfs/dbraw/zinc/27/94/50/591279450.db2.gz BBYCUWAWNMDDAA-ZYHUDNBSSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000129332063 591279622 /nfs/dbraw/zinc/27/96/22/591279622.db2.gz BBYCUWAWNMDDAA-PWSUYJOCSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)Cc1cccs1 ZINC000129334129 384990244 /nfs/dbraw/zinc/99/02/44/384990244.db2.gz ODPYCYQFANCECU-NWDGAFQWSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)Cc1cccs1 ZINC000129334346 388831190 /nfs/dbraw/zinc/83/11/90/388831190.db2.gz ODPYCYQFANCECU-RYUDHWBXSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)Cc1cccs1 ZINC000129334565 324937885 /nfs/dbraw/zinc/93/78/85/324937885.db2.gz ODPYCYQFANCECU-VXGBXAGGSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)Cc1cccs1 ZINC000129334784 324937971 /nfs/dbraw/zinc/93/79/71/324937971.db2.gz ODPYCYQFANCECU-NEPJUHHUSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000129335869 490074607 /nfs/dbraw/zinc/07/46/07/490074607.db2.gz RRGGJJUIAGBLNH-GXSJLCMTSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000129336043 490074644 /nfs/dbraw/zinc/07/46/44/490074644.db2.gz RRGGJJUIAGBLNH-ONGXEEELSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000129336266 490074546 /nfs/dbraw/zinc/07/45/46/490074546.db2.gz RRGGJJUIAGBLNH-MWLCHTKSSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000129336493 490074750 /nfs/dbraw/zinc/07/47/50/490074750.db2.gz RRGGJJUIAGBLNH-KOLCDFICSA-N 1 0 226.389 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)C(C)C ZINC000129342730 324938456 /nfs/dbraw/zinc/93/84/56/324938456.db2.gz NRBIECYPLQMWGT-AGIUHOORSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)C(C)C ZINC000129343156 322961983 /nfs/dbraw/zinc/96/19/83/322961983.db2.gz NRBIECYPLQMWGT-AVGNSLFASA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000129343589 384999215 /nfs/dbraw/zinc/99/92/15/384999215.db2.gz VTVCXESDFYOARA-TUAOUCFPSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000129343840 385140456 /nfs/dbraw/zinc/14/04/56/385140456.db2.gz VTVCXESDFYOARA-UTUOFQBUSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000129344049 384998191 /nfs/dbraw/zinc/99/81/91/384998191.db2.gz VTVCXESDFYOARA-SRVKXCTJSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000129344257 385141242 /nfs/dbraw/zinc/14/12/42/385141242.db2.gz VTVCXESDFYOARA-WOPDTQHZSA-N 1 0 239.384 3.604 20 0 BHADRO C[NH+](C)Cc1cccc(N[C@H]2CCC(C)(C)C2)c1 ZINC000129357665 388833335 /nfs/dbraw/zinc/83/33/35/388833335.db2.gz YDSSEAVPGIESSU-HNNXBMFYSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1cccc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000129357900 388834299 /nfs/dbraw/zinc/83/42/99/388834299.db2.gz YDSSEAVPGIESSU-OAHLLOKOSA-N 1 0 246.398 3.739 20 0 BHADRO COCCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000129362498 174201141 /nfs/dbraw/zinc/20/11/41/174201141.db2.gz WCFUKESPBBHWSK-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCOC[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129364110 387767025 /nfs/dbraw/zinc/76/70/25/387767025.db2.gz TVXNSLXEVZKDGD-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129364323 387767579 /nfs/dbraw/zinc/76/75/79/387767579.db2.gz TVXNSLXEVZKDGD-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CCCC3)CC2)no1 ZINC000129364610 388834999 /nfs/dbraw/zinc/83/49/99/388834999.db2.gz WFJJVDCAYOMXMU-UHFFFAOYSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CCCC3)CC2)on1 ZINC000129366167 178018137 /nfs/dbraw/zinc/01/81/37/178018137.db2.gz NKTVFMHMWCJYIM-UHFFFAOYSA-N 1 0 248.370 3.576 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000129366359 388835175 /nfs/dbraw/zinc/83/51/75/388835175.db2.gz HRIKSGNFCNNWKE-IAQYHMDHSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000129366597 388834571 /nfs/dbraw/zinc/83/45/71/388834571.db2.gz HRIKSGNFCNNWKE-XHDPSFHLSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000129366788 324940220 /nfs/dbraw/zinc/94/02/20/324940220.db2.gz HRIKSGNFCNNWKE-ABAIWWIYSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000129367027 324940707 /nfs/dbraw/zinc/94/07/07/324940707.db2.gz HRIKSGNFCNNWKE-NHYWBVRUSA-N 1 0 217.356 3.618 20 0 BHADRO CCCC(CCC)[NH2+]CC1CCSCC1 ZINC000129392984 324944825 /nfs/dbraw/zinc/94/48/25/324944825.db2.gz FEMNIGUTQIGZEE-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+]CC1CCSCC1)C1CCCCC1 ZINC000129393194 388838108 /nfs/dbraw/zinc/83/81/08/388838108.db2.gz GXMBWIRSWOYZKH-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]CC1CCSCC1)C1CCCCC1 ZINC000129393432 324944713 /nfs/dbraw/zinc/94/47/13/324944713.db2.gz GXMBWIRSWOYZKH-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000129395515 388838637 /nfs/dbraw/zinc/83/86/37/388838637.db2.gz ZZPYQKNCYQLKNE-GFCCVEGCSA-N 1 0 239.790 3.907 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000129395744 323117013 /nfs/dbraw/zinc/11/70/13/323117013.db2.gz ZZPYQKNCYQLKNE-LBPRGKRZSA-N 1 0 239.790 3.907 20 0 BHADRO CC[C@@H](COC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129402346 170846834 /nfs/dbraw/zinc/84/68/34/170846834.db2.gz VQYYYMKEABGPKW-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](COC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129402571 387769316 /nfs/dbraw/zinc/76/93/16/387769316.db2.gz VQYYYMKEABGPKW-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129408807 187395715 /nfs/dbraw/zinc/39/57/15/187395715.db2.gz WXGKAYKKIWHPIV-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129408997 174381803 /nfs/dbraw/zinc/38/18/03/174381803.db2.gz WXGKAYKKIWHPIV-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1nc(C)cs1 ZINC000129409744 168350132 /nfs/dbraw/zinc/35/01/32/168350132.db2.gz WXVRVDGKUTVVNY-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000129420478 171347557 /nfs/dbraw/zinc/34/75/57/171347557.db2.gz IDEADZQOWJCFOJ-COPLHBTASA-N 1 0 203.329 3.623 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000129420973 171348939 /nfs/dbraw/zinc/34/89/39/171348939.db2.gz IDEADZQOWJCFOJ-MJVIPROJSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000129424770 388841619 /nfs/dbraw/zinc/84/16/19/388841619.db2.gz AVXXCGVJXYABOP-XUJVJEKNSA-N 1 0 217.356 3.869 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000129425244 388841074 /nfs/dbraw/zinc/84/10/74/388841074.db2.gz AVXXCGVJXYABOP-TYNCELHUSA-N 1 0 217.356 3.869 20 0 BHADRO CCCC(CCC)[NH2+]CCCCSC ZINC000129426962 323174668 /nfs/dbraw/zinc/17/46/68/323174668.db2.gz KDXXHZMVUDTYPZ-UHFFFAOYSA-N 1 0 217.422 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000129427164 324948032 /nfs/dbraw/zinc/94/80/32/324948032.db2.gz BWLBRAYSOMYLEK-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@H](C)C1CCCCC1 ZINC000129427339 324947998 /nfs/dbraw/zinc/94/79/98/324947998.db2.gz BWLBRAYSOMYLEK-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)C1CCCCC1 ZINC000129428210 324948059 /nfs/dbraw/zinc/94/80/59/324948059.db2.gz GMGVMBDLDQWOMD-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)C1CCCCC1 ZINC000129428400 324948000 /nfs/dbraw/zinc/94/80/00/324948000.db2.gz GMGVMBDLDQWOMD-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000129431883 388841174 /nfs/dbraw/zinc/84/11/74/388841174.db2.gz KPUHWUIWUYPIOT-RDBSUJKOSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000129432125 388841080 /nfs/dbraw/zinc/84/10/80/388841080.db2.gz KPUHWUIWUYPIOT-IHRRRGAJSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000129432339 388841654 /nfs/dbraw/zinc/84/16/54/388841654.db2.gz KPUHWUIWUYPIOT-HZSPNIEDSA-N 1 0 209.377 3.900 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)CCSC ZINC000129432529 591293916 /nfs/dbraw/zinc/29/39/16/591293916.db2.gz XIFWXWQYZMCYJP-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000129432555 324948061 /nfs/dbraw/zinc/94/80/61/324948061.db2.gz KPUHWUIWUYPIOT-MELADBBJSA-N 1 0 209.377 3.900 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)CCSC ZINC000129432746 591293591 /nfs/dbraw/zinc/29/35/91/591293591.db2.gz XIFWXWQYZMCYJP-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)o1 ZINC000129432949 323118487 /nfs/dbraw/zinc/11/84/87/323118487.db2.gz PUPCMJYEHUGBCJ-GMXVVIOVSA-N 1 0 221.344 3.681 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000129432951 591294045 /nfs/dbraw/zinc/29/40/45/591294045.db2.gz KLUMMQIIAKSFRZ-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000129433162 591293769 /nfs/dbraw/zinc/29/37/69/591293769.db2.gz KLUMMQIIAKSFRZ-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000129433374 591293671 /nfs/dbraw/zinc/29/36/71/591293671.db2.gz KLUMMQIIAKSFRZ-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)o1 ZINC000129433385 388843042 /nfs/dbraw/zinc/84/30/42/388843042.db2.gz PUPCMJYEHUGBCJ-GVXVVHGQSA-N 1 0 221.344 3.681 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000129433594 591293637 /nfs/dbraw/zinc/29/36/37/591293637.db2.gz KLUMMQIIAKSFRZ-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(Cl)nc1 ZINC000129434531 591293735 /nfs/dbraw/zinc/29/37/35/591293735.db2.gz IMMOVTXXCZQGBX-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(Cl)nc1 ZINC000129434787 591294256 /nfs/dbraw/zinc/29/42/56/591294256.db2.gz IMMOVTXXCZQGBX-NHCYSSNCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(Cl)nc1 ZINC000129435022 591294371 /nfs/dbraw/zinc/29/43/71/591294371.db2.gz IMMOVTXXCZQGBX-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(Cl)nc1 ZINC000129435239 591294380 /nfs/dbraw/zinc/29/43/80/591294380.db2.gz IMMOVTXXCZQGBX-JBLDHEPKSA-N 1 0 238.762 3.574 20 0 BHADRO C[NH+](C)Cc1ccc(N[C@H]2CCC(C)(C)C2)cc1 ZINC000129441978 388842630 /nfs/dbraw/zinc/84/26/30/388842630.db2.gz JTNGXKZUEOWHDU-HNNXBMFYSA-N 1 0 246.398 3.739 20 0 BHADRO C[NH+](C)Cc1ccc(N[C@@H]2CCC(C)(C)C2)cc1 ZINC000129442214 388842253 /nfs/dbraw/zinc/84/22/53/388842253.db2.gz JTNGXKZUEOWHDU-OAHLLOKOSA-N 1 0 246.398 3.739 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000129446156 388843383 /nfs/dbraw/zinc/84/33/83/388843383.db2.gz RHJXYQXAMBODTI-ZYHUDNBSSA-N 1 0 221.369 3.612 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(O)c1 ZINC000129446189 387771296 /nfs/dbraw/zinc/77/12/96/387771296.db2.gz FRXQXLNKZCTNGS-WCQYABFASA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(O)c1 ZINC000129446381 387771030 /nfs/dbraw/zinc/77/10/30/387771030.db2.gz FRXQXLNKZCTNGS-DGCLKSJQSA-N 1 0 233.355 3.622 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000129446420 388842758 /nfs/dbraw/zinc/84/27/58/388842758.db2.gz RHJXYQXAMBODTI-CMPLNLGQSA-N 1 0 221.369 3.612 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(O)c1 ZINC000129446625 387770679 /nfs/dbraw/zinc/77/06/79/387770679.db2.gz FRXQXLNKZCTNGS-AAEUAGOBSA-N 1 0 233.355 3.622 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000129446642 324949594 /nfs/dbraw/zinc/94/95/94/324949594.db2.gz RHJXYQXAMBODTI-PWSUYJOCSA-N 1 0 221.369 3.612 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(O)c1 ZINC000129446845 387770619 /nfs/dbraw/zinc/77/06/19/387770619.db2.gz FRXQXLNKZCTNGS-YPMHNXCESA-N 1 0 233.355 3.622 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000129446876 324949492 /nfs/dbraw/zinc/94/94/92/324949492.db2.gz RHJXYQXAMBODTI-JQWIXIFHSA-N 1 0 221.369 3.612 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)CCOC ZINC000129449043 591301869 /nfs/dbraw/zinc/30/18/69/591301869.db2.gz GINOTNRMHGRPST-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)CCOC ZINC000129449299 591301540 /nfs/dbraw/zinc/30/15/40/591301540.db2.gz GINOTNRMHGRPST-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO C[C@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000129454620 388844379 /nfs/dbraw/zinc/84/43/79/388844379.db2.gz QTILLULJLJLKFK-AWEZNQCLSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000129454823 324950301 /nfs/dbraw/zinc/95/03/01/324950301.db2.gz QTILLULJLJLKFK-CQSZACIVSA-N 1 0 247.382 3.687 20 0 BHADRO COCc1ccccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000129461188 387771330 /nfs/dbraw/zinc/77/13/30/387771330.db2.gz UTSUXJBMOAWBOM-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129461392 387771446 /nfs/dbraw/zinc/77/14/46/387771446.db2.gz UTSUXJBMOAWBOM-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cc2c(s1)CCCC2 ZINC000129461704 388845199 /nfs/dbraw/zinc/84/51/99/388845199.db2.gz WFQHGUQISLSNEU-JTQLQIEISA-N 1 0 235.396 3.830 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cc2c(s1)CCCC2 ZINC000129461942 388845271 /nfs/dbraw/zinc/84/52/71/388845271.db2.gz WFQHGUQISLSNEU-SNVBAGLBSA-N 1 0 235.396 3.830 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000129463381 388845094 /nfs/dbraw/zinc/84/50/94/388845094.db2.gz FHJOQZMHSXJNRD-JTQLQIEISA-N 1 0 223.385 3.688 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000129463622 324951557 /nfs/dbraw/zinc/95/15/57/324951557.db2.gz FHJOQZMHSXJNRD-SNVBAGLBSA-N 1 0 223.385 3.688 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)CCOC ZINC000129465914 324951608 /nfs/dbraw/zinc/95/16/08/324951608.db2.gz QVQRGMDLPQARDT-ZIAGYGMSSA-N 1 0 243.435 3.854 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)CCOC ZINC000129466117 324951513 /nfs/dbraw/zinc/95/15/13/324951513.db2.gz QVQRGMDLPQARDT-UONOGXRCSA-N 1 0 243.435 3.854 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)CCOC ZINC000129466340 324951492 /nfs/dbraw/zinc/95/14/92/324951492.db2.gz QVQRGMDLPQARDT-KGLIPLIRSA-N 1 0 243.435 3.854 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)CCOC ZINC000129466582 388846768 /nfs/dbraw/zinc/84/67/68/388846768.db2.gz QVQRGMDLPQARDT-KBPBESRZSA-N 1 0 243.435 3.854 20 0 BHADRO CC(C)OCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000129477623 167242108 /nfs/dbraw/zinc/24/21/08/167242108.db2.gz BAWZYQWEDOOZRM-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129477827 173943236 /nfs/dbraw/zinc/94/32/36/173943236.db2.gz BXDVANQTKJDOEA-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000129478527 591304851 /nfs/dbraw/zinc/30/48/51/591304851.db2.gz XNPBTIDJBNSHSR-LBPRGKRZSA-N 1 0 237.412 3.869 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000129478792 591304622 /nfs/dbraw/zinc/30/46/22/591304622.db2.gz XNPBTIDJBNSHSR-GFCCVEGCSA-N 1 0 237.412 3.869 20 0 BHADRO CCCC(CCC)[NH2+]CC(C)(C)SC ZINC000129483504 591312097 /nfs/dbraw/zinc/31/20/97/591312097.db2.gz XHJRXEPKTJKLPY-UHFFFAOYSA-N 1 0 217.422 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000129483731 591312656 /nfs/dbraw/zinc/31/26/56/591312656.db2.gz PBABTWNSBWYXQQ-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)C1CCCCC1 ZINC000129483989 591312237 /nfs/dbraw/zinc/31/22/37/591312237.db2.gz PBABTWNSBWYXQQ-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccccc1Cl ZINC000129485851 388848388 /nfs/dbraw/zinc/84/83/88/388848388.db2.gz FBECLEUCNWXLCN-YVNMAJEFSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccccc1Cl ZINC000129486054 388847703 /nfs/dbraw/zinc/84/77/03/388847703.db2.gz FBECLEUCNWXLCN-HSOILSAZSA-N 1 0 223.747 3.789 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000129487698 387771351 /nfs/dbraw/zinc/77/13/51/387771351.db2.gz XTVILEOHDYQVQZ-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000129487938 387771151 /nfs/dbraw/zinc/77/11/51/387771151.db2.gz XTVILEOHDYQVQZ-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO c1cc(C[NH2+]C2CCC3(CCCC3)CC2)co1 ZINC000129495289 183348863 /nfs/dbraw/zinc/34/88/63/183348863.db2.gz KJQNEVHPKZASPM-UHFFFAOYSA-N 1 0 233.355 3.872 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000129495581 324954677 /nfs/dbraw/zinc/95/46/77/324954677.db2.gz BZHDQMADBSWBGC-NSHDSACASA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000129495795 388848557 /nfs/dbraw/zinc/84/85/57/388848557.db2.gz BZHDQMADBSWBGC-LLVKDONJSA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129496481 388848440 /nfs/dbraw/zinc/84/84/40/388848440.db2.gz XUQJJVBNDOLYHQ-CYBMUJFWSA-N 1 0 223.747 3.573 20 0 BHADRO CC(C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129496683 388848758 /nfs/dbraw/zinc/84/87/58/388848758.db2.gz XUQJJVBNDOLYHQ-ZDUSSCGKSA-N 1 0 223.747 3.573 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C)CCCC1)C1CC1 ZINC000129498661 324954545 /nfs/dbraw/zinc/95/45/45/324954545.db2.gz NNFJDGYSVVONJH-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C)CCCC1)C1CC1 ZINC000129498915 324954666 /nfs/dbraw/zinc/95/46/66/324954666.db2.gz NNFJDGYSVVONJH-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000129505023 388849768 /nfs/dbraw/zinc/84/97/68/388849768.db2.gz QLDPHLGJTTYGNN-NSHDSACASA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000129505236 388850272 /nfs/dbraw/zinc/85/02/72/388850272.db2.gz QLDPHLGJTTYGNN-LLVKDONJSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CCC1 ZINC000129527101 490150127 /nfs/dbraw/zinc/15/01/27/490150127.db2.gz OVMFSMDKLVJZTE-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CCC1 ZINC000129527334 490150026 /nfs/dbraw/zinc/15/00/26/490150026.db2.gz OVMFSMDKLVJZTE-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000129534444 324957713 /nfs/dbraw/zinc/95/77/13/324957713.db2.gz JWCHJYZHAXBLMD-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000129534643 324957719 /nfs/dbraw/zinc/95/77/19/324957719.db2.gz JWCHJYZHAXBLMD-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000129539803 324957875 /nfs/dbraw/zinc/95/78/75/324957875.db2.gz LNCNXVOIKJYFLU-TYNCELHUSA-N 1 0 217.356 3.554 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000129540028 388852082 /nfs/dbraw/zinc/85/20/82/388852082.db2.gz LNCNXVOIKJYFLU-SLEUVZQESA-N 1 0 217.356 3.554 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000129540228 324957953 /nfs/dbraw/zinc/95/79/53/324957953.db2.gz LNCNXVOIKJYFLU-XUJVJEKNSA-N 1 0 217.356 3.554 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000129540480 388852234 /nfs/dbraw/zinc/85/22/34/388852234.db2.gz LNCNXVOIKJYFLU-HUBLWGQQSA-N 1 0 217.356 3.554 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000129552338 388851271 /nfs/dbraw/zinc/85/12/71/388851271.db2.gz VABYDGOPSILODH-GXTWGEPZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000129552550 324959425 /nfs/dbraw/zinc/95/94/25/324959425.db2.gz VABYDGOPSILODH-TZMCWYRMSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000129552742 324958942 /nfs/dbraw/zinc/95/89/42/324958942.db2.gz VABYDGOPSILODH-JSGCOSHPSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000129552954 343178058 /nfs/dbraw/zinc/17/80/58/343178058.db2.gz VABYDGOPSILODH-OCCSQVGLSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129554721 490151207 /nfs/dbraw/zinc/15/12/07/490151207.db2.gz QADCNZSLMQPVOC-BXKDBHETSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129554936 490151293 /nfs/dbraw/zinc/15/12/93/490151293.db2.gz QADCNZSLMQPVOC-JOYOIKCWSA-N 1 0 236.359 3.521 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000129555074 591322480 /nfs/dbraw/zinc/32/24/80/591322480.db2.gz SBXPOXFKWLLCOC-SNVBAGLBSA-N 1 0 243.753 3.800 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129555160 491132152 /nfs/dbraw/zinc/13/21/52/491132152.db2.gz QADCNZSLMQPVOC-SKDRFNHKSA-N 1 0 236.359 3.521 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000129555307 583602304 /nfs/dbraw/zinc/60/23/04/583602304.db2.gz SBXPOXFKWLLCOC-JTQLQIEISA-N 1 0 243.753 3.800 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129555354 490150952 /nfs/dbraw/zinc/15/09/52/490150952.db2.gz QADCNZSLMQPVOC-CABZTGNLSA-N 1 0 236.359 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000129555409 591322753 /nfs/dbraw/zinc/32/27/53/591322753.db2.gz AOPCXQUHTLGDIH-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000129555637 591322443 /nfs/dbraw/zinc/32/24/43/591322443.db2.gz AOPCXQUHTLGDIH-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO CCC(CC)[NH2+]CCc1ccc(F)cc1Cl ZINC000129555962 388853549 /nfs/dbraw/zinc/85/35/49/388853549.db2.gz GVKLAEXYQGLAEG-UHFFFAOYSA-N 1 0 243.753 3.800 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000129556182 324958996 /nfs/dbraw/zinc/95/89/96/324958996.db2.gz FUKJEGMGZWQWER-SNVBAGLBSA-N 1 0 243.753 3.656 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000129556382 388853633 /nfs/dbraw/zinc/85/36/33/388853633.db2.gz FUKJEGMGZWQWER-JTQLQIEISA-N 1 0 243.753 3.656 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129570250 388853380 /nfs/dbraw/zinc/85/33/80/388853380.db2.gz IQDXNMPXTPYOCT-NOZJJQNGSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129570423 324960741 /nfs/dbraw/zinc/96/07/41/324960741.db2.gz IQDXNMPXTPYOCT-TVQRCGJNSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129570645 388853816 /nfs/dbraw/zinc/85/38/16/388853816.db2.gz IQDXNMPXTPYOCT-RNCFNFMXSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129570875 324960654 /nfs/dbraw/zinc/96/06/54/324960654.db2.gz IQDXNMPXTPYOCT-ZANVPECISA-N 1 0 223.747 3.715 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC2CCC2)c(C)o1 ZINC000129576769 583603871 /nfs/dbraw/zinc/60/38/71/583603871.db2.gz MKIVGUFUTIYMGJ-JTQLQIEISA-N 1 0 221.344 3.565 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000129580445 591329840 /nfs/dbraw/zinc/32/98/40/591329840.db2.gz OTSXXCWIYDNLME-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000129580653 591329664 /nfs/dbraw/zinc/32/96/64/591329664.db2.gz OTSXXCWIYDNLME-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129582673 324962691 /nfs/dbraw/zinc/96/26/91/324962691.db2.gz HSPUKPPQSMUMBO-FIXISWKDSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129583103 324962464 /nfs/dbraw/zinc/96/24/64/324962464.db2.gz HSPUKPPQSMUMBO-ZIBATOQPSA-N 1 0 235.346 3.837 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000129593522 490154764 /nfs/dbraw/zinc/15/47/64/490154764.db2.gz ZRTJMXUIMHFMNL-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000129593732 490154516 /nfs/dbraw/zinc/15/45/16/490154516.db2.gz ZRTJMXUIMHFMNL-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CC1([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000129596262 388857119 /nfs/dbraw/zinc/85/71/19/388857119.db2.gz XQLDMUVZIVYISM-LSDHHAIUSA-N 1 0 229.367 3.855 20 0 BHADRO CC1([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000129596460 388857207 /nfs/dbraw/zinc/85/72/07/388857207.db2.gz XQLDMUVZIVYISM-GJZGRUSLSA-N 1 0 229.367 3.855 20 0 BHADRO CC1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000129596653 388856134 /nfs/dbraw/zinc/85/61/34/388856134.db2.gz XQLDMUVZIVYISM-HUUCEWRRSA-N 1 0 229.367 3.855 20 0 BHADRO CC1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000129596841 324964616 /nfs/dbraw/zinc/96/46/16/324964616.db2.gz XQLDMUVZIVYISM-CABCVRRESA-N 1 0 229.367 3.855 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000129603605 324965236 /nfs/dbraw/zinc/96/52/36/324965236.db2.gz RPLZYMSVMOADSJ-ZIAGYGMSSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000129603804 388858522 /nfs/dbraw/zinc/85/85/22/388858522.db2.gz RPLZYMSVMOADSJ-UONOGXRCSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000129604038 388858230 /nfs/dbraw/zinc/85/82/30/388858230.db2.gz RPLZYMSVMOADSJ-KGLIPLIRSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000129604292 324966402 /nfs/dbraw/zinc/96/64/02/324966402.db2.gz RPLZYMSVMOADSJ-KBPBESRZSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)cc1)C(C)C ZINC000129605447 324966406 /nfs/dbraw/zinc/96/64/06/324966406.db2.gz RVIYCWQGSKCTLS-HNNXBMFYSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)cc1)C(C)C ZINC000129605670 324966074 /nfs/dbraw/zinc/96/60/74/324966074.db2.gz RVIYCWQGSKCTLS-OAHLLOKOSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CC(C)C)cc1 ZINC000129605969 490155483 /nfs/dbraw/zinc/15/54/83/490155483.db2.gz PNHSCDZIDJZCQN-AWEZNQCLSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CC(C)C)cc1 ZINC000129606230 490155575 /nfs/dbraw/zinc/15/55/75/490155575.db2.gz PNHSCDZIDJZCQN-CQSZACIVSA-N 1 0 219.372 3.562 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129607714 324966217 /nfs/dbraw/zinc/96/62/17/324966217.db2.gz RHHNIXAGOMXNIJ-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129607915 324966269 /nfs/dbraw/zinc/96/62/69/324966269.db2.gz RHHNIXAGOMXNIJ-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000129608116 343178099 /nfs/dbraw/zinc/17/80/99/343178099.db2.gz ICCBUJGSYRCJQQ-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000129608338 343177952 /nfs/dbraw/zinc/17/79/52/343177952.db2.gz ICCBUJGSYRCJQQ-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CCC(C)(C)C)CC2 ZINC000129610305 324074630 /nfs/dbraw/zinc/07/46/30/324074630.db2.gz MIZKIFGUKWCASN-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CCC(C)(C)C)CC2 ZINC000129610508 519096752 /nfs/dbraw/zinc/09/67/52/519096752.db2.gz MIZKIFGUKWCASN-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000129613397 591340480 /nfs/dbraw/zinc/34/04/80/591340480.db2.gz HDMDEOLNFNFBBL-LBPRGKRZSA-N 1 0 247.382 3.708 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000129613604 591339533 /nfs/dbraw/zinc/33/95/33/591339533.db2.gz HDMDEOLNFNFBBL-GFCCVEGCSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000129614057 388857900 /nfs/dbraw/zinc/85/79/00/388857900.db2.gz DJKKUIOSGGQPAC-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC000129614249 324966997 /nfs/dbraw/zinc/96/69/97/324966997.db2.gz DJKKUIOSGGQPAC-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000129620235 490157185 /nfs/dbraw/zinc/15/71/85/490157185.db2.gz JYROSLNAHNTICR-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000129620652 490157454 /nfs/dbraw/zinc/15/74/54/490157454.db2.gz JYROSLNAHNTICR-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000129638963 358591425 /nfs/dbraw/zinc/59/14/25/358591425.db2.gz XJHNMUACJHYJSZ-STQMWFEESA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000129639208 134612745 /nfs/dbraw/zinc/61/27/45/134612745.db2.gz XJHNMUACJHYJSZ-OLZOCXBDSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1cccnc1 ZINC000129639427 358591627 /nfs/dbraw/zinc/59/16/27/358591627.db2.gz XJHNMUACJHYJSZ-QWHCGFSZSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1cccnc1 ZINC000129639646 358591513 /nfs/dbraw/zinc/59/15/13/358591513.db2.gz XJHNMUACJHYJSZ-CHWSQXEVSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000129642461 388861076 /nfs/dbraw/zinc/86/10/76/388861076.db2.gz FUEHTTSSFINTGL-CRYBEJKASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000129642675 324969603 /nfs/dbraw/zinc/96/96/03/324969603.db2.gz FUEHTTSSFINTGL-MHABSNSOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000129642873 324969690 /nfs/dbraw/zinc/96/96/90/324969690.db2.gz FUEHTTSSFINTGL-AKBUMOGYSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000129643079 388861055 /nfs/dbraw/zinc/86/10/55/388861055.db2.gz FUEHTTSSFINTGL-PXZKZTPFSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000129656120 324971022 /nfs/dbraw/zinc/97/10/22/324971022.db2.gz AFMAMNHKRTZRGY-CYBMUJFWSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000129656336 323009100 /nfs/dbraw/zinc/00/91/00/323009100.db2.gz AFMAMNHKRTZRGY-ZDUSSCGKSA-N 1 0 219.372 3.643 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000129659371 591348338 /nfs/dbraw/zinc/34/83/38/591348338.db2.gz MHZJXOQISVSOFG-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000129659589 591348593 /nfs/dbraw/zinc/34/85/93/591348593.db2.gz MHZJXOQISVSOFG-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000129659787 591348558 /nfs/dbraw/zinc/34/85/58/591348558.db2.gz MHZJXOQISVSOFG-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000129659988 591349159 /nfs/dbraw/zinc/34/91/59/591349159.db2.gz MHZJXOQISVSOFG-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000129664978 324972267 /nfs/dbraw/zinc/97/22/67/324972267.db2.gz JJCPTGBVAYFOQK-DZKIICNBSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000129665412 388863541 /nfs/dbraw/zinc/86/35/41/388863541.db2.gz JJCPTGBVAYFOQK-OFQRWUPVSA-N 1 0 231.383 3.562 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000129671615 388862691 /nfs/dbraw/zinc/86/26/91/388862691.db2.gz YUMMLEWXLSANDE-VNHYZAJKSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000129671800 388863181 /nfs/dbraw/zinc/86/31/81/388863181.db2.gz YUMMLEWXLSANDE-KCQAQPDRSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000129671994 388862911 /nfs/dbraw/zinc/86/29/11/388862911.db2.gz YUMMLEWXLSANDE-IPYPFGDCSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000129672221 324972569 /nfs/dbraw/zinc/97/25/69/324972569.db2.gz YUMMLEWXLSANDE-YDHLFZDLSA-N 1 0 247.382 3.780 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000129675931 358592264 /nfs/dbraw/zinc/59/22/64/358592264.db2.gz HCEBYTRRHSJFIY-DVZHBHJUSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cnc2ccsc2c1 ZINC000129678637 324973548 /nfs/dbraw/zinc/97/35/48/324973548.db2.gz KYDNINIZYJQYGO-OUAUKWLOSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cnc2ccsc2c1 ZINC000129678879 388864117 /nfs/dbraw/zinc/86/41/17/388864117.db2.gz KYDNINIZYJQYGO-GARJFASQSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cnc2ccsc2c1 ZINC000129679088 388865258 /nfs/dbraw/zinc/86/52/58/388865258.db2.gz KYDNINIZYJQYGO-VWYCJHECSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cnc2ccsc2c1 ZINC000129679319 324973491 /nfs/dbraw/zinc/97/34/91/324973491.db2.gz KYDNINIZYJQYGO-DCAQKATOSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1nc2ccccc2s1 ZINC000129685565 591377726 /nfs/dbraw/zinc/37/77/26/591377726.db2.gz OXZGLUHXXJSEIB-OUAUKWLOSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1nc2ccccc2s1 ZINC000129685782 591379011 /nfs/dbraw/zinc/37/90/11/591379011.db2.gz OXZGLUHXXJSEIB-GARJFASQSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1nc2ccccc2s1 ZINC000129686011 591377386 /nfs/dbraw/zinc/37/73/86/591377386.db2.gz OXZGLUHXXJSEIB-VWYCJHECSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1nc2ccccc2s1 ZINC000129686249 591377494 /nfs/dbraw/zinc/37/74/94/591377494.db2.gz OXZGLUHXXJSEIB-DCAQKATOSA-N 1 0 246.379 3.603 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000129691045 388865893 /nfs/dbraw/zinc/86/58/93/388865893.db2.gz ZVZRNVJIQASRME-YDHLFZDLSA-N 1 0 247.382 3.782 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000129691482 388866402 /nfs/dbraw/zinc/86/64/02/388866402.db2.gz ZVZRNVJIQASRME-KCQAQPDRSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H]([NH2+]Cc1cnoc1C)c1ccc(C)cc1 ZINC000129693021 324976624 /nfs/dbraw/zinc/97/66/24/324976624.db2.gz GQBROQOOJYLYAJ-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnoc1C)c1ccc(C)cc1 ZINC000129693233 388865835 /nfs/dbraw/zinc/86/58/35/388865835.db2.gz GQBROQOOJYLYAJ-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CCC1 ZINC000129722348 134613252 /nfs/dbraw/zinc/61/32/52/134613252.db2.gz WYBIDKNBQGSLDS-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CCC1 ZINC000129722593 358595194 /nfs/dbraw/zinc/59/51/94/358595194.db2.gz WYBIDKNBQGSLDS-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000129723429 324980318 /nfs/dbraw/zinc/98/03/18/324980318.db2.gz VSMOURYIBGGIEV-HNNXBMFYSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000129723667 388868494 /nfs/dbraw/zinc/86/84/94/388868494.db2.gz VSMOURYIBGGIEV-OAHLLOKOSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cccnc1Cl ZINC000129731255 591392505 /nfs/dbraw/zinc/39/25/05/591392505.db2.gz NOSQIIUAOLSDSX-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cccnc1Cl ZINC000129731475 591391932 /nfs/dbraw/zinc/39/19/32/591391932.db2.gz NOSQIIUAOLSDSX-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCC2CC2)o1 ZINC000129733392 388869241 /nfs/dbraw/zinc/86/92/41/388869241.db2.gz SLUYNWRNJOIWJZ-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCC2CC2)o1 ZINC000129733608 490527992 /nfs/dbraw/zinc/52/79/92/490527992.db2.gz SLUYNWRNJOIWJZ-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc(Cl)nc1 ZINC000129735436 591392501 /nfs/dbraw/zinc/39/25/01/591392501.db2.gz KBUQZOCDPHMAAN-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(Cl)nc1 ZINC000129735661 591391968 /nfs/dbraw/zinc/39/19/68/591391968.db2.gz KBUQZOCDPHMAAN-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccnc(Cl)c1 ZINC000129736358 591392352 /nfs/dbraw/zinc/39/23/52/591392352.db2.gz PXYATRAQZKWFFN-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccnc(Cl)c1 ZINC000129736595 591392234 /nfs/dbraw/zinc/39/22/34/591392234.db2.gz PXYATRAQZKWFFN-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CCCC1CC1 ZINC000129736809 490166000 /nfs/dbraw/zinc/16/60/00/490166000.db2.gz VWDZMLSUCQLKIF-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CCCC1CC1 ZINC000129737022 490165818 /nfs/dbraw/zinc/16/58/18/490165818.db2.gz VWDZMLSUCQLKIF-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC=CCC1 ZINC000129740556 324981588 /nfs/dbraw/zinc/98/15/88/324981588.db2.gz GOFQDCQEYBNJLY-MELADBBJSA-N 1 0 209.377 3.900 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC=CCC1 ZINC000129741004 324982044 /nfs/dbraw/zinc/98/20/44/324982044.db2.gz GOFQDCQEYBNJLY-IHRRRGAJSA-N 1 0 209.377 3.900 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000129745460 388869690 /nfs/dbraw/zinc/86/96/90/388869690.db2.gz LNKFKTYUGPEQEB-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000129745678 388869728 /nfs/dbraw/zinc/86/97/28/388869728.db2.gz LNKFKTYUGPEQEB-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000129745921 324982577 /nfs/dbraw/zinc/98/25/77/324982577.db2.gz LNKFKTYUGPEQEB-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000129746151 388869710 /nfs/dbraw/zinc/86/97/10/388869710.db2.gz LNKFKTYUGPEQEB-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000129761239 324983166 /nfs/dbraw/zinc/98/31/66/324983166.db2.gz YLPDDDHDIRIWMI-GFCCVEGCSA-N 1 0 231.364 3.888 20 0 BHADRO CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000129761465 324983156 /nfs/dbraw/zinc/98/31/56/324983156.db2.gz YLPDDDHDIRIWMI-LBPRGKRZSA-N 1 0 231.364 3.888 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000129767699 388869824 /nfs/dbraw/zinc/86/98/24/388869824.db2.gz FEMDAURBHPTDTA-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000129767906 324983331 /nfs/dbraw/zinc/98/33/31/324983331.db2.gz FEMDAURBHPTDTA-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000129782537 490171592 /nfs/dbraw/zinc/17/15/92/490171592.db2.gz HZZSDFMRGZMCPA-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000129782741 490170943 /nfs/dbraw/zinc/17/09/43/490170943.db2.gz HZZSDFMRGZMCPA-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCC[C@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000129785340 535705170 /nfs/dbraw/zinc/70/51/70/535705170.db2.gz SGXQJILPMLCWCG-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000129785526 134613505 /nfs/dbraw/zinc/61/35/05/134613505.db2.gz SGXQJILPMLCWCG-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCOCC(C)C)c1 ZINC000129787081 388870415 /nfs/dbraw/zinc/87/04/15/388870415.db2.gz MQOHFFJOEIHIDR-OAHLLOKOSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCOCC(C)C)c1 ZINC000129787259 324984564 /nfs/dbraw/zinc/98/45/64/324984564.db2.gz MQOHFFJOEIHIDR-HNNXBMFYSA-N 1 0 249.398 3.627 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCOCC(C)C)cc1 ZINC000129789675 388870386 /nfs/dbraw/zinc/87/03/86/388870386.db2.gz WFONCZKYJXQWKM-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCOCC(C)C)cc1 ZINC000129789880 324984573 /nfs/dbraw/zinc/98/45/73/324984573.db2.gz WFONCZKYJXQWKM-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO CC[C@H]([NH2+]CCOCC(C)C)c1ccc(C)cc1 ZINC000129790572 535902597 /nfs/dbraw/zinc/90/25/97/535902597.db2.gz HVICSKQXNVSFKV-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]([NH2+]CCOCC(C)C)c1ccc(C)cc1 ZINC000129790823 358595898 /nfs/dbraw/zinc/59/58/98/358595898.db2.gz HVICSKQXNVSFKV-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOCC(C)C)cc1C ZINC000129802834 388870288 /nfs/dbraw/zinc/87/02/88/388870288.db2.gz HUHFTWBVUASRFW-OAHLLOKOSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOCC(C)C)cc1C ZINC000129803041 388871137 /nfs/dbraw/zinc/87/11/37/388871137.db2.gz HUHFTWBVUASRFW-HNNXBMFYSA-N 1 0 249.398 3.627 20 0 BHADRO CC(C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000129805337 356967699 /nfs/dbraw/zinc/96/76/99/356967699.db2.gz STQFVGJGEHWGAA-HIFRSBDPSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000129805587 345262831 /nfs/dbraw/zinc/26/28/31/345262831.db2.gz STQFVGJGEHWGAA-ZFWWWQNUSA-N 1 0 217.356 3.520 20 0 BHADRO COC1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000129810775 591410491 /nfs/dbraw/zinc/41/04/91/591410491.db2.gz KUQQHLPDSXPXCA-UHFFFAOYSA-N 1 0 239.403 3.647 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOCC(C)C)c(C)c1 ZINC000129819270 388871968 /nfs/dbraw/zinc/87/19/68/388871968.db2.gz RKMSYENOMCCWHB-OAHLLOKOSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOCC(C)C)c(C)c1 ZINC000129819467 324986641 /nfs/dbraw/zinc/98/66/41/324986641.db2.gz RKMSYENOMCCWHB-HNNXBMFYSA-N 1 0 249.398 3.627 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C1CCC(OC)CC1 ZINC000129835516 388872364 /nfs/dbraw/zinc/87/23/64/388872364.db2.gz YERFSKBWSWIMNO-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C1CCC(OC)CC1 ZINC000129835721 324987769 /nfs/dbraw/zinc/98/77/69/324987769.db2.gz YERFSKBWSWIMNO-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO COC1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000129837191 174025201 /nfs/dbraw/zinc/02/52/01/174025201.db2.gz RHFYCLKDTTVYEW-WLYUNCDWSA-N 1 0 247.382 3.603 20 0 BHADRO COC1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000129837420 174022653 /nfs/dbraw/zinc/02/26/53/174022653.db2.gz RHFYCLKDTTVYEW-NFOMZHRRSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000129845111 388871469 /nfs/dbraw/zinc/87/14/69/388871469.db2.gz LYOAQRRROWTJQY-UONOGXRCSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000129845309 324988733 /nfs/dbraw/zinc/98/87/33/324988733.db2.gz LYOAQRRROWTJQY-KBPBESRZSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000129845527 324988525 /nfs/dbraw/zinc/98/85/25/324988525.db2.gz LYOAQRRROWTJQY-ZIAGYGMSSA-N 1 0 231.383 3.704 20 0 BHADRO COC1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000129845549 388871497 /nfs/dbraw/zinc/87/14/97/388871497.db2.gz NYFDNSFQGOFQQX-WLYUNCDWSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000129845729 324988736 /nfs/dbraw/zinc/98/87/36/324988736.db2.gz LYOAQRRROWTJQY-KGLIPLIRSA-N 1 0 231.383 3.704 20 0 BHADRO COC1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000129845738 388871886 /nfs/dbraw/zinc/87/18/86/388871886.db2.gz NYFDNSFQGOFQQX-NFOMZHRRSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C1CC1 ZINC000129886129 490175931 /nfs/dbraw/zinc/17/59/31/490175931.db2.gz QLUNGPXRSCZOOC-SMDDNHRTSA-N 1 0 247.407 3.859 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCSc2ccccc21)C1CC1 ZINC000129886320 490176129 /nfs/dbraw/zinc/17/61/29/490176129.db2.gz QLUNGPXRSCZOOC-BXUZGUMPSA-N 1 0 247.407 3.859 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCSc2ccccc21)C1CC1 ZINC000129886535 490176200 /nfs/dbraw/zinc/17/62/00/490176200.db2.gz QLUNGPXRSCZOOC-FZMZJTMJSA-N 1 0 247.407 3.859 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCSc2ccccc21)C1CC1 ZINC000129886752 490175867 /nfs/dbraw/zinc/17/58/67/490175867.db2.gz QLUNGPXRSCZOOC-RISCZKNCSA-N 1 0 247.407 3.859 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CSc2ccccc21 ZINC000129898140 388875445 /nfs/dbraw/zinc/87/54/45/388875445.db2.gz VZVHIMCWQUOFCD-CYBMUJFWSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CSc2ccccc21 ZINC000129898364 323009798 /nfs/dbraw/zinc/00/97/98/323009798.db2.gz VZVHIMCWQUOFCD-ZDUSSCGKSA-N 1 0 235.396 3.859 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000129902328 490176117 /nfs/dbraw/zinc/17/61/17/490176117.db2.gz BHCYRMGXPSTCOX-WBMJQRKESA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000129902530 490175855 /nfs/dbraw/zinc/17/58/55/490175855.db2.gz BHCYRMGXPSTCOX-MLGOLLRUSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccc(OC)cc1 ZINC000129902748 490175923 /nfs/dbraw/zinc/17/59/23/490175923.db2.gz BHCYRMGXPSTCOX-LRDDRELGSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccc(OC)cc1 ZINC000129902962 490175984 /nfs/dbraw/zinc/17/59/84/490175984.db2.gz BHCYRMGXPSTCOX-BLLLJJGKSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129904077 490175960 /nfs/dbraw/zinc/17/59/60/490175960.db2.gz SJUPRFOCXNWJSX-CHWSQXEVSA-N 1 0 247.382 3.700 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129904298 490176211 /nfs/dbraw/zinc/17/62/11/490176211.db2.gz SJUPRFOCXNWJSX-OLZOCXBDSA-N 1 0 247.382 3.700 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129904504 490176013 /nfs/dbraw/zinc/17/60/13/490176013.db2.gz SJUPRFOCXNWJSX-QWHCGFSZSA-N 1 0 247.382 3.700 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129904704 490176219 /nfs/dbraw/zinc/17/62/19/490176219.db2.gz SJUPRFOCXNWJSX-STQMWFEESA-N 1 0 247.382 3.700 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000129909846 711494050 /nfs/dbraw/zinc/49/40/50/711494050.db2.gz IWYMRSOQJFOTSO-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000129910065 490176854 /nfs/dbraw/zinc/17/68/54/490176854.db2.gz IWYMRSOQJFOTSO-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000129910256 490177111 /nfs/dbraw/zinc/17/71/11/490177111.db2.gz IWYMRSOQJFOTSO-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc(F)cc(F)c1 ZINC000129910449 490176921 /nfs/dbraw/zinc/17/69/21/490176921.db2.gz IWYMRSOQJFOTSO-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)C1CC1 ZINC000129912890 490177218 /nfs/dbraw/zinc/17/72/18/490177218.db2.gz PSQLTEIUYSPCHP-CJNGLKHVSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)C1CC1 ZINC000129913090 490177294 /nfs/dbraw/zinc/17/72/94/490177294.db2.gz PSQLTEIUYSPCHP-CZUORRHYSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)C1CC1 ZINC000129913332 490176845 /nfs/dbraw/zinc/17/68/45/490176845.db2.gz PSQLTEIUYSPCHP-BBRMVZONSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)C1CC1 ZINC000129913556 490177147 /nfs/dbraw/zinc/17/71/47/490177147.db2.gz PSQLTEIUYSPCHP-XJKSGUPXSA-N 1 0 231.383 3.643 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129916333 490177263 /nfs/dbraw/zinc/17/72/63/490177263.db2.gz MEPLGIVANXGWHQ-CHWSQXEVSA-N 1 0 247.382 3.700 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129916522 490177142 /nfs/dbraw/zinc/17/71/42/490177142.db2.gz MEPLGIVANXGWHQ-OLZOCXBDSA-N 1 0 247.382 3.700 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129916732 490176823 /nfs/dbraw/zinc/17/68/23/490176823.db2.gz MEPLGIVANXGWHQ-QWHCGFSZSA-N 1 0 247.382 3.700 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129916947 490176942 /nfs/dbraw/zinc/17/69/42/490176942.db2.gz MEPLGIVANXGWHQ-STQMWFEESA-N 1 0 247.382 3.700 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C1CC1)CC2 ZINC000129918034 490177135 /nfs/dbraw/zinc/17/71/35/490177135.db2.gz LKCLCRPKQNSIRZ-MLGOLLRUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C1CC1)CC2 ZINC000129918266 490177124 /nfs/dbraw/zinc/17/71/24/490177124.db2.gz LKCLCRPKQNSIRZ-WBMJQRKESA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C1CC1)CC2 ZINC000129918481 490176891 /nfs/dbraw/zinc/17/68/91/490176891.db2.gz LKCLCRPKQNSIRZ-BLLLJJGKSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C1CC1)CC2 ZINC000129918680 490176993 /nfs/dbraw/zinc/17/69/93/490176993.db2.gz LKCLCRPKQNSIRZ-LRDDRELGSA-N 1 0 229.367 3.618 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000129921027 388876558 /nfs/dbraw/zinc/87/65/58/388876558.db2.gz AGDFXZRLCALKKZ-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000129921277 388876124 /nfs/dbraw/zinc/87/61/24/388876124.db2.gz AGDFXZRLCALKKZ-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000129921486 388876145 /nfs/dbraw/zinc/87/61/45/388876145.db2.gz AGDFXZRLCALKKZ-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000129921688 323009830 /nfs/dbraw/zinc/00/98/30/323009830.db2.gz AGDFXZRLCALKKZ-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129925745 490179800 /nfs/dbraw/zinc/17/98/00/490179800.db2.gz SZECSPXVAOPYPU-CHWSQXEVSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000129925974 490179820 /nfs/dbraw/zinc/17/98/20/490179820.db2.gz SZECSPXVAOPYPU-OLZOCXBDSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129926211 490179887 /nfs/dbraw/zinc/17/98/87/490179887.db2.gz SZECSPXVAOPYPU-QWHCGFSZSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000129926404 490180050 /nfs/dbraw/zinc/18/00/50/490180050.db2.gz SZECSPXVAOPYPU-STQMWFEESA-N 1 0 247.382 3.782 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)nc1 ZINC000129928008 324995225 /nfs/dbraw/zinc/99/52/25/324995225.db2.gz NQWNTMPWEVMNBU-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)nc1 ZINC000129928211 324995327 /nfs/dbraw/zinc/99/53/27/324995327.db2.gz NQWNTMPWEVMNBU-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)nc1 ZINC000129928438 388876613 /nfs/dbraw/zinc/87/66/13/388876613.db2.gz NQWNTMPWEVMNBU-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)nc1 ZINC000129928651 324995448 /nfs/dbraw/zinc/99/54/48/324995448.db2.gz NQWNTMPWEVMNBU-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000129931446 490179485 /nfs/dbraw/zinc/17/94/85/490179485.db2.gz ILZSMRVRSDMGDI-CHWSQXEVSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000129931692 490180010 /nfs/dbraw/zinc/18/00/10/490180010.db2.gz ILZSMRVRSDMGDI-OLZOCXBDSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000129931904 490180062 /nfs/dbraw/zinc/18/00/62/490180062.db2.gz ILZSMRVRSDMGDI-QWHCGFSZSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000129932129 490179542 /nfs/dbraw/zinc/17/95/42/490179542.db2.gz ILZSMRVRSDMGDI-STQMWFEESA-N 1 0 247.382 3.782 20 0 BHADRO C([NH2+]CC1CCCCCC1)C1CCSCC1 ZINC000129932723 388875721 /nfs/dbraw/zinc/87/57/21/388875721.db2.gz WYEQCWMMFOYBLM-UHFFFAOYSA-N 1 0 241.444 3.690 20 0 BHADRO CSCCCC[NH2+]CC1CCCCCC1 ZINC000129943467 388876683 /nfs/dbraw/zinc/87/66/83/388876683.db2.gz MRMYNGCGHAVKQW-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000129945153 591423460 /nfs/dbraw/zinc/42/34/60/591423460.db2.gz ASHQKCMKWWONRB-YNEHKIRRSA-N 1 0 227.392 3.501 20 0 BHADRO CSCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC000129947512 591423815 /nfs/dbraw/zinc/42/38/15/591423815.db2.gz XRJVXSDLDQEILR-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000129947732 591423082 /nfs/dbraw/zinc/42/30/82/591423082.db2.gz XRJVXSDLDQEILR-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000129952284 169369571 /nfs/dbraw/zinc/36/95/71/169369571.db2.gz MSGYQOXPHQNZBF-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000129952513 385204648 /nfs/dbraw/zinc/20/46/48/385204648.db2.gz MSGYQOXPHQNZBF-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000129960836 324998082 /nfs/dbraw/zinc/99/80/82/324998082.db2.gz VSZHWKMUDSVTGX-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000129961070 324998043 /nfs/dbraw/zinc/99/80/43/324998043.db2.gz VSZHWKMUDSVTGX-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000129961315 388877330 /nfs/dbraw/zinc/87/73/30/388877330.db2.gz VSZHWKMUDSVTGX-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000129961521 353339217 /nfs/dbraw/zinc/33/92/17/353339217.db2.gz VSZHWKMUDSVTGX-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CSC(C)(C)C[NH2+]CC1CCCCCC1 ZINC000129964416 584944359 /nfs/dbraw/zinc/94/43/59/584944359.db2.gz FUWSBIRXVOREDP-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccoc1 ZINC000129966139 388877976 /nfs/dbraw/zinc/87/79/76/388877976.db2.gz IDOIATMCQVUCNE-NSHDSACASA-N 1 0 209.333 3.757 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccoc1 ZINC000129966350 388877420 /nfs/dbraw/zinc/87/74/20/388877420.db2.gz IDOIATMCQVUCNE-LLVKDONJSA-N 1 0 209.333 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000129966443 388877410 /nfs/dbraw/zinc/87/74/10/388877410.db2.gz AWKUIJDTEKGQJG-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000129966649 324998161 /nfs/dbraw/zinc/99/81/61/324998161.db2.gz AWKUIJDTEKGQJG-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000129966821 324998304 /nfs/dbraw/zinc/99/83/04/324998304.db2.gz AWKUIJDTEKGQJG-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000129966994 324998188 /nfs/dbraw/zinc/99/81/88/324998188.db2.gz AWKUIJDTEKGQJG-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129968132 388877449 /nfs/dbraw/zinc/87/74/49/388877449.db2.gz DPFPWBMLUACWHT-IAQYHMDHSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129968324 324998516 /nfs/dbraw/zinc/99/85/16/324998516.db2.gz DPFPWBMLUACWHT-XHDPSFHLSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129968524 324998385 /nfs/dbraw/zinc/99/83/85/324998385.db2.gz DPFPWBMLUACWHT-ABAIWWIYSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129968737 324999052 /nfs/dbraw/zinc/99/90/52/324999052.db2.gz DPFPWBMLUACWHT-NHYWBVRUSA-N 1 0 235.346 3.837 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129969382 388878382 /nfs/dbraw/zinc/87/83/82/388878382.db2.gz SUFHQADIXWNVLW-IAQYHMDHSA-N 1 0 235.346 3.981 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cc2c(s1)CCCC2 ZINC000129969450 324999079 /nfs/dbraw/zinc/99/90/79/324999079.db2.gz DNRBWWKULNHAMX-JTQLQIEISA-N 1 0 235.396 3.688 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129969564 324999237 /nfs/dbraw/zinc/99/92/37/324999237.db2.gz SUFHQADIXWNVLW-XHDPSFHLSA-N 1 0 235.346 3.981 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cc2c(s1)CCCC2 ZINC000129969665 324998951 /nfs/dbraw/zinc/99/89/51/324998951.db2.gz DNRBWWKULNHAMX-SNVBAGLBSA-N 1 0 235.396 3.688 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129969754 388878358 /nfs/dbraw/zinc/87/83/58/388878358.db2.gz SUFHQADIXWNVLW-ABAIWWIYSA-N 1 0 235.346 3.981 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129969944 388878421 /nfs/dbraw/zinc/87/84/21/388878421.db2.gz SUFHQADIXWNVLW-NHYWBVRUSA-N 1 0 235.346 3.981 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129970175 591425475 /nfs/dbraw/zinc/42/54/75/591425475.db2.gz YISVKNWHUQIKDS-RIEGTJTDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129970603 591425463 /nfs/dbraw/zinc/42/54/63/591425463.db2.gz YISVKNWHUQIKDS-WDBKCZKBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129971023 388878846 /nfs/dbraw/zinc/87/88/46/388878846.db2.gz HQUAHIWGMAKWDE-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000129971230 388878534 /nfs/dbraw/zinc/87/85/34/388878534.db2.gz HQUAHIWGMAKWDE-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129971449 324999745 /nfs/dbraw/zinc/99/97/45/324999745.db2.gz HQUAHIWGMAKWDE-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cscn1 ZINC000129971460 324999828 /nfs/dbraw/zinc/99/98/28/324999828.db2.gz IYGJBARUZKWZEQ-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cscn1 ZINC000129971665 388878331 /nfs/dbraw/zinc/87/83/31/388878331.db2.gz IYGJBARUZKWZEQ-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000129971705 324999820 /nfs/dbraw/zinc/99/98/20/324999820.db2.gz HQUAHIWGMAKWDE-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)(C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000129972744 324999635 /nfs/dbraw/zinc/99/96/35/324999635.db2.gz XWQSVRQUJSSIGL-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cncs1 ZINC000129973858 324999449 /nfs/dbraw/zinc/99/94/49/324999449.db2.gz OVHJPCSRYXXZSY-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cncs1 ZINC000129974065 324998199 /nfs/dbraw/zinc/99/81/99/324998199.db2.gz OVHJPCSRYXXZSY-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000129979712 325001481 /nfs/dbraw/zinc/00/14/81/325001481.db2.gz XQDFTERNYUQGCG-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000129979930 325001471 /nfs/dbraw/zinc/00/14/71/325001471.db2.gz XQDFTERNYUQGCG-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000129980121 325001518 /nfs/dbraw/zinc/00/15/18/325001518.db2.gz XQDFTERNYUQGCG-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000129980345 325001612 /nfs/dbraw/zinc/00/16/12/325001612.db2.gz XQDFTERNYUQGCG-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCC1 ZINC000129981901 358603656 /nfs/dbraw/zinc/60/36/56/358603656.db2.gz VTTQSRUDLTZZLM-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCC1 ZINC000129982087 358604084 /nfs/dbraw/zinc/60/40/84/358604084.db2.gz VTTQSRUDLTZZLM-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc(Cl)cs1 ZINC000129982241 325001446 /nfs/dbraw/zinc/00/14/46/325001446.db2.gz PSMASEXSTVLYQG-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCC1 ZINC000129982319 134615186 /nfs/dbraw/zinc/61/51/86/134615186.db2.gz VTTQSRUDLTZZLM-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000129982489 591427945 /nfs/dbraw/zinc/42/79/45/591427945.db2.gz CNEPXWJKVLNOFG-WLYUNCDWSA-N 1 0 241.419 3.893 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCC1 ZINC000129982537 358604162 /nfs/dbraw/zinc/60/41/62/358604162.db2.gz VTTQSRUDLTZZLM-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000129982695 591428249 /nfs/dbraw/zinc/42/82/49/591428249.db2.gz CNEPXWJKVLNOFG-NFOMZHRRSA-N 1 0 241.419 3.893 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000129982788 358603723 /nfs/dbraw/zinc/60/37/23/358603723.db2.gz SBUWKZFLUBOZRN-JRPNMDOOSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000129983164 358604144 /nfs/dbraw/zinc/60/41/44/358604144.db2.gz SBUWKZFLUBOZRN-UEKVPHQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)C1CCC1 ZINC000129995441 490529016 /nfs/dbraw/zinc/52/90/16/490529016.db2.gz NOYZGAXXSPQOSY-XHDPSFHLSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)C1CCC1 ZINC000129995651 490196257 /nfs/dbraw/zinc/19/62/57/490196257.db2.gz NOYZGAXXSPQOSY-IAQYHMDHSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)C1CCC1 ZINC000129995832 490195924 /nfs/dbraw/zinc/19/59/24/490195924.db2.gz NOYZGAXXSPQOSY-NHYWBVRUSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)C1CCC1 ZINC000129996064 490196568 /nfs/dbraw/zinc/19/65/68/490196568.db2.gz NOYZGAXXSPQOSY-ABAIWWIYSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000129996760 490197564 /nfs/dbraw/zinc/19/75/64/490197564.db2.gz ZLZXRHKQFFNLTF-OSAQELSMSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000129997182 490197844 /nfs/dbraw/zinc/19/78/44/490197844.db2.gz ZLZXRHKQFFNLTF-UXIGCNINSA-N 1 0 247.407 3.753 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000129999339 325002734 /nfs/dbraw/zinc/00/27/34/325002734.db2.gz PCQNUVOXOMAESF-UHFFFAOYSA-N 1 0 248.757 3.634 20 0 BHADRO COC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000129999874 325002268 /nfs/dbraw/zinc/00/22/68/325002268.db2.gz GXHMFRZMMGICBN-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000130000939 325002449 /nfs/dbraw/zinc/00/24/49/325002449.db2.gz JXNRZLGLACKRPN-UHFFFAOYSA-N 1 0 248.757 3.778 20 0 BHADRO COC1CCC([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000130003630 174024195 /nfs/dbraw/zinc/02/41/95/174024195.db2.gz WCCJBSDPZYVPIO-IUDNXUCKSA-N 1 0 247.382 3.603 20 0 BHADRO COC1CCC([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000130003841 174022929 /nfs/dbraw/zinc/02/29/29/174022929.db2.gz WCCJBSDPZYVPIO-JEYLPNPQSA-N 1 0 247.382 3.603 20 0 BHADRO CCC1CCC([NH2+]C2CCC(OC)CC2)CC1 ZINC000130034214 344209770 /nfs/dbraw/zinc/20/97/70/344209770.db2.gz ABSCXGQLQICIRE-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000130047568 385216745 /nfs/dbraw/zinc/21/67/45/385216745.db2.gz VSVYDZWICGJOHQ-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000130047760 345266909 /nfs/dbraw/zinc/26/69/09/345266909.db2.gz VSVYDZWICGJOHQ-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncs1)c1ccccc1 ZINC000130047987 385214458 /nfs/dbraw/zinc/21/44/58/385214458.db2.gz VSVYDZWICGJOHQ-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cncs1)c1ccccc1 ZINC000130048225 170913364 /nfs/dbraw/zinc/91/33/64/170913364.db2.gz VSVYDZWICGJOHQ-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000130048956 171515776 /nfs/dbraw/zinc/51/57/76/171515776.db2.gz GFEOLSSKIJMHSM-GPANFISMSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000130049185 386135620 /nfs/dbraw/zinc/13/56/20/386135620.db2.gz GFEOLSSKIJMHSM-UYSNPLJNSA-N 1 0 247.382 3.685 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000130049971 490216033 /nfs/dbraw/zinc/21/60/33/490216033.db2.gz CCHZTXQNJJZTTH-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)CC2CCC2)cc1 ZINC000130050174 490215859 /nfs/dbraw/zinc/21/58/59/490215859.db2.gz CCHZTXQNJJZTTH-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000130050395 490215886 /nfs/dbraw/zinc/21/58/86/490215886.db2.gz CCHZTXQNJJZTTH-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CC2CCC2)cc1 ZINC000130050596 490529003 /nfs/dbraw/zinc/52/90/03/490529003.db2.gz CCHZTXQNJJZTTH-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO COC1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000130051468 325007990 /nfs/dbraw/zinc/00/79/90/325007990.db2.gz RIXRYCSOQARTLY-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000130051690 325006976 /nfs/dbraw/zinc/00/69/76/325006976.db2.gz RIXRYCSOQARTLY-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(F)cc1F ZINC000130054127 490215755 /nfs/dbraw/zinc/21/57/55/490215755.db2.gz HPBQGDDXSGEQAN-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(F)cc1F ZINC000130054326 490216106 /nfs/dbraw/zinc/21/61/06/490216106.db2.gz HPBQGDDXSGEQAN-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO c1csc(C[NH+](Cc2cccs2)C2CC2)c1 ZINC000130056034 325008220 /nfs/dbraw/zinc/00/82/20/325008220.db2.gz VRXZYRIBWNAYSI-UHFFFAOYSA-N 1 0 249.404 3.974 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000130061087 325009289 /nfs/dbraw/zinc/00/92/89/325009289.db2.gz LLFNPSWOWUWHMW-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000130061299 325009309 /nfs/dbraw/zinc/00/93/09/325009309.db2.gz LLFNPSWOWUWHMW-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000130061533 325009327 /nfs/dbraw/zinc/00/93/27/325009327.db2.gz LLFNPSWOWUWHMW-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000130061709 325008822 /nfs/dbraw/zinc/00/88/22/325008822.db2.gz LLFNPSWOWUWHMW-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000130063021 325009238 /nfs/dbraw/zinc/00/92/38/325009238.db2.gz VLAGYXANBHLKKA-MELADBBJSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000130063388 325009129 /nfs/dbraw/zinc/00/91/29/325009129.db2.gz VLAGYXANBHLKKA-IHRRRGAJSA-N 1 0 247.382 3.925 20 0 BHADRO COC1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000130067352 358606119 /nfs/dbraw/zinc/60/61/19/358606119.db2.gz NXYMANRZSCBUEN-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130072433 325010207 /nfs/dbraw/zinc/01/02/07/325010207.db2.gz JWHGQJAYTAKZSC-JLVJUDLZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130072639 325009760 /nfs/dbraw/zinc/00/97/60/325009760.db2.gz JWHGQJAYTAKZSC-LQULJDIASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130072830 325010202 /nfs/dbraw/zinc/01/02/02/325010202.db2.gz JWHGQJAYTAKZSC-FEWQNLEASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130073023 325009780 /nfs/dbraw/zinc/00/97/80/325009780.db2.gz JWHGQJAYTAKZSC-FGZQJIAISA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000130080327 490219171 /nfs/dbraw/zinc/21/91/71/490219171.db2.gz QTYPTBQDUPXXAO-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000130080544 490528988 /nfs/dbraw/zinc/52/89/88/490528988.db2.gz QTYPTBQDUPXXAO-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000130080729 490219508 /nfs/dbraw/zinc/21/95/08/490219508.db2.gz QTYPTBQDUPXXAO-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000130080898 490219349 /nfs/dbraw/zinc/21/93/49/490219349.db2.gz QTYPTBQDUPXXAO-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000130089736 323407627 /nfs/dbraw/zinc/40/76/27/323407627.db2.gz UVZPHWNLVXPDBD-RUXDESIVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000130089973 325012061 /nfs/dbraw/zinc/01/20/61/325012061.db2.gz UVZPHWNLVXPDBD-JXQTWKCFSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000130095912 325012130 /nfs/dbraw/zinc/01/21/30/325012130.db2.gz ZKZFJAHWVILSOQ-IUDNXUCKSA-N 1 0 247.382 3.603 20 0 BHADRO COC1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000130096074 325012428 /nfs/dbraw/zinc/01/24/28/325012428.db2.gz ZKZFJAHWVILSOQ-JEYLPNPQSA-N 1 0 247.382 3.603 20 0 BHADRO COC1CCC([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000130099132 358608212 /nfs/dbraw/zinc/60/82/12/358608212.db2.gz RUXQXHIDCKTBNW-MOKVOYLWSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000130099321 358608405 /nfs/dbraw/zinc/60/84/05/358608405.db2.gz RUXQXHIDCKTBNW-ROKHWSDSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000130122187 591440144 /nfs/dbraw/zinc/44/01/44/591440144.db2.gz VKMBVFZPRBXHQQ-UHFFFAOYSA-N 1 0 240.350 3.638 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130146157 325017766 /nfs/dbraw/zinc/01/77/66/325017766.db2.gz JFNWCNDTINLCBE-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000130146316 385221244 /nfs/dbraw/zinc/22/12/44/385221244.db2.gz ULJWXBKFHARXHV-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130146343 325018008 /nfs/dbraw/zinc/01/80/08/325018008.db2.gz JFNWCNDTINLCBE-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000130146507 171343345 /nfs/dbraw/zinc/34/33/45/171343345.db2.gz ULJWXBKFHARXHV-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130146552 325017637 /nfs/dbraw/zinc/01/76/37/325017637.db2.gz JFNWCNDTINLCBE-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130146763 323010304 /nfs/dbraw/zinc/01/03/04/323010304.db2.gz JFNWCNDTINLCBE-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000130146986 325017099 /nfs/dbraw/zinc/01/70/99/325017099.db2.gz OIIOHEZWTMSUAK-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000130147170 325017661 /nfs/dbraw/zinc/01/76/61/325017661.db2.gz OIIOHEZWTMSUAK-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000130147360 325017969 /nfs/dbraw/zinc/01/79/69/325017969.db2.gz OIIOHEZWTMSUAK-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000130147572 325017675 /nfs/dbraw/zinc/01/76/75/325017675.db2.gz OIIOHEZWTMSUAK-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000130159423 345269253 /nfs/dbraw/zinc/26/92/53/345269253.db2.gz ORHSVQRTZDCRMV-INIZCTEOSA-N 1 0 240.350 3.665 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000130159681 385224968 /nfs/dbraw/zinc/22/49/68/385224968.db2.gz ORHSVQRTZDCRMV-MRXNPFEDSA-N 1 0 240.350 3.665 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)CC2CCC2)c1 ZINC000130168725 491119292 /nfs/dbraw/zinc/11/92/92/491119292.db2.gz GDQRKLBNTGVIRM-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)CC2CCC2)c1 ZINC000130168926 491119306 /nfs/dbraw/zinc/11/93/06/491119306.db2.gz GDQRKLBNTGVIRM-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCCCC1)C2 ZINC000130185393 325022325 /nfs/dbraw/zinc/02/23/25/325022325.db2.gz IRIMLJSJYOUNIY-OAHLLOKOSA-N 1 0 249.785 3.730 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCCCC1)C2 ZINC000130185606 325022551 /nfs/dbraw/zinc/02/25/51/325022551.db2.gz IRIMLJSJYOUNIY-HNNXBMFYSA-N 1 0 249.785 3.730 20 0 BHADRO CC(C)OC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000130186406 490251729 /nfs/dbraw/zinc/25/17/29/490251729.db2.gz CVCUVCFYJNTBMF-UHFFFAOYSA-N 1 0 247.382 3.512 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cccc(F)c1 ZINC000130189039 591447270 /nfs/dbraw/zinc/44/72/70/591447270.db2.gz ZPNUKHLZKBPIQV-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cccc(F)c1 ZINC000130189249 591447658 /nfs/dbraw/zinc/44/76/58/591447658.db2.gz ZPNUKHLZKBPIQV-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc(F)cc1 ZINC000130191565 591447041 /nfs/dbraw/zinc/44/70/41/591447041.db2.gz PBDSBGCUUOZVGW-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(F)cc1 ZINC000130191779 591447623 /nfs/dbraw/zinc/44/76/23/591447623.db2.gz PBDSBGCUUOZVGW-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000130193085 490253517 /nfs/dbraw/zinc/25/35/17/490253517.db2.gz CMIQHBIPIXUMTM-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000130193323 490254055 /nfs/dbraw/zinc/25/40/55/490254055.db2.gz CMIQHBIPIXUMTM-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccccc1F ZINC000130193590 591448046 /nfs/dbraw/zinc/44/80/46/591448046.db2.gz PSDPQGHUVZZOSH-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccccc1F ZINC000130193795 591447020 /nfs/dbraw/zinc/44/70/20/591447020.db2.gz PSDPQGHUVZZOSH-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CCC[NH+](CCC)Cc1cccc2cccnc21 ZINC000130194893 325023001 /nfs/dbraw/zinc/02/30/01/325023001.db2.gz ODJSPGIVORGKSU-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000130195669 490256895 /nfs/dbraw/zinc/25/68/95/490256895.db2.gz IKHIFDJKUUCRQG-URGYJCLVSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000130195861 490257025 /nfs/dbraw/zinc/25/70/25/490257025.db2.gz IKHIFDJKUUCRQG-PPWQZUPISA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000130196068 490256835 /nfs/dbraw/zinc/25/68/35/490256835.db2.gz IKHIFDJKUUCRQG-XSCHDIRWSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000130196264 490256934 /nfs/dbraw/zinc/25/69/34/490256934.db2.gz IKHIFDJKUUCRQG-VXGQWTEUSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCCCCCC2)no1 ZINC000130196363 591448009 /nfs/dbraw/zinc/44/80/09/591448009.db2.gz GEEJRTYKAPSIPX-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCOC(C)C)c1 ZINC000130199460 325023408 /nfs/dbraw/zinc/02/34/08/325023408.db2.gz BOLGQFWEUPKRKK-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCCOC(C)C)c1 ZINC000130199678 325023209 /nfs/dbraw/zinc/02/32/09/325023209.db2.gz BOLGQFWEUPKRKK-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000130200319 325023044 /nfs/dbraw/zinc/02/30/44/325023044.db2.gz GJFHQIGHRYSWCC-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000130200524 323010394 /nfs/dbraw/zinc/01/03/94/323010394.db2.gz GJFHQIGHRYSWCC-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000130200753 325023196 /nfs/dbraw/zinc/02/31/96/325023196.db2.gz GJFHQIGHRYSWCC-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000130200959 325023008 /nfs/dbraw/zinc/02/30/08/325023008.db2.gz GJFHQIGHRYSWCC-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO C[N@H+](CCc1ccccn1)C1CCCCCCC1 ZINC000130201768 591447808 /nfs/dbraw/zinc/44/78/08/591447808.db2.gz RTFFZAIDPWHDJM-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130202508 325023100 /nfs/dbraw/zinc/02/31/00/325023100.db2.gz GRZVBVMNDYKAMW-LSDHHAIUSA-N 1 0 217.356 3.712 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130202721 325023664 /nfs/dbraw/zinc/02/36/64/325023664.db2.gz GRZVBVMNDYKAMW-GJZGRUSLSA-N 1 0 217.356 3.712 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000130202917 325023718 /nfs/dbraw/zinc/02/37/18/325023718.db2.gz GRZVBVMNDYKAMW-HUUCEWRRSA-N 1 0 217.356 3.712 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000130203159 325023946 /nfs/dbraw/zinc/02/39/46/325023946.db2.gz GRZVBVMNDYKAMW-CABCVRRESA-N 1 0 217.356 3.712 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CC1CCCC1 ZINC000130208595 325023695 /nfs/dbraw/zinc/02/36/95/325023695.db2.gz VTFDKRKJXWZESE-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCc2ccco2)c1 ZINC000130208807 325023950 /nfs/dbraw/zinc/02/39/50/325023950.db2.gz DDFHYLQPYLPDCP-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CC1CCCC1 ZINC000130208822 323010452 /nfs/dbraw/zinc/01/04/52/323010452.db2.gz VTFDKRKJXWZESE-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCc2ccco2)c1 ZINC000130209030 325023819 /nfs/dbraw/zinc/02/38/19/325023819.db2.gz DDFHYLQPYLPDCP-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000130209715 325024090 /nfs/dbraw/zinc/02/40/90/325024090.db2.gz GOJVWMXXKWGKGX-GJZGRUSLSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000130209915 325024026 /nfs/dbraw/zinc/02/40/26/325024026.db2.gz GOJVWMXXKWGKGX-CABCVRRESA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000130210114 325024035 /nfs/dbraw/zinc/02/40/35/325024035.db2.gz GOJVWMXXKWGKGX-LSDHHAIUSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000130210291 325023968 /nfs/dbraw/zinc/02/39/68/325023968.db2.gz GOJVWMXXKWGKGX-HUUCEWRRSA-N 1 0 235.371 3.627 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000130216247 325024889 /nfs/dbraw/zinc/02/48/89/325024889.db2.gz XAPYIDVELGMSDT-UHFFFAOYSA-N 1 0 247.313 3.579 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000130230965 491124892 /nfs/dbraw/zinc/12/48/92/491124892.db2.gz RMEBWWGFFIFNTM-JLVJUDLZSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000130231165 491124917 /nfs/dbraw/zinc/12/49/17/491124917.db2.gz RMEBWWGFFIFNTM-LQULJDIASA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000130231351 491124909 /nfs/dbraw/zinc/12/49/09/491124909.db2.gz RMEBWWGFFIFNTM-FEWQNLEASA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000130231533 490315275 /nfs/dbraw/zinc/31/52/75/490315275.db2.gz RMEBWWGFFIFNTM-FGZQJIAISA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccncc1 ZINC000130236538 591448907 /nfs/dbraw/zinc/44/89/07/591448907.db2.gz IAGAVYQZDBPFJR-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccncc1 ZINC000130236769 591449023 /nfs/dbraw/zinc/44/90/23/591449023.db2.gz IAGAVYQZDBPFJR-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000130236854 325027401 /nfs/dbraw/zinc/02/74/01/325027401.db2.gz KHBOGIXABQVGNT-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000130237075 325027634 /nfs/dbraw/zinc/02/76/34/325027634.db2.gz KHBOGIXABQVGNT-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C1CCC1 ZINC000130237271 325027741 /nfs/dbraw/zinc/02/77/41/325027741.db2.gz KHBOGIXABQVGNT-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000130237501 325027458 /nfs/dbraw/zinc/02/74/58/325027458.db2.gz KHBOGIXABQVGNT-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1cccnc1 ZINC000130237854 179037479 /nfs/dbraw/zinc/03/74/79/179037479.db2.gz CBOYDJYNWZBZLD-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1cccnc1 ZINC000130238047 179038588 /nfs/dbraw/zinc/03/85/88/179038588.db2.gz CBOYDJYNWZBZLD-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1(C)CC1 ZINC000130238803 325028289 /nfs/dbraw/zinc/02/82/89/325028289.db2.gz SNARUWJSOSHOEF-IACUBPJLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)C1(C)CC1 ZINC000130239225 325028302 /nfs/dbraw/zinc/02/83/02/325028302.db2.gz SNARUWJSOSHOEF-YUTCNCBUSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000130239629 325028442 /nfs/dbraw/zinc/02/84/42/325028442.db2.gz UKWZNMKRPUICIJ-QLFBSQMISA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000130240037 325028207 /nfs/dbraw/zinc/02/82/07/325028207.db2.gz UKWZNMKRPUICIJ-ILXRZTDVSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000130243371 325028967 /nfs/dbraw/zinc/02/89/67/325028967.db2.gz RSEUJLDIMLBNGN-IACUBPJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000130243761 325028787 /nfs/dbraw/zinc/02/87/87/325028787.db2.gz RSEUJLDIMLBNGN-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1(C)CC1 ZINC000130244888 591449826 /nfs/dbraw/zinc/44/98/26/591449826.db2.gz HAHRAOQPAKESSV-FPMFFAJLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1(C)CC1 ZINC000130245325 591450206 /nfs/dbraw/zinc/45/02/06/591450206.db2.gz HAHRAOQPAKESSV-UBHSHLNASA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000130245760 490335516 /nfs/dbraw/zinc/33/55/16/490335516.db2.gz GUECQZRUBDLUAU-ZNMIVQPWSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000130246166 490335465 /nfs/dbraw/zinc/33/54/65/490335465.db2.gz GUECQZRUBDLUAU-KKUMJFAQSA-N 1 0 221.388 3.733 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(Cl)cs1 ZINC000130251913 325030496 /nfs/dbraw/zinc/03/04/96/325030496.db2.gz ARFDXBYIPHKFQF-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO Cc1ccoc1C[N@H+](Cc1cccs1)C1CC1 ZINC000130255434 325030432 /nfs/dbraw/zinc/03/04/32/325030432.db2.gz OHYJLWDXOAWAAP-UHFFFAOYSA-N 1 0 247.363 3.814 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)ccn1 ZINC000130257810 325031002 /nfs/dbraw/zinc/03/10/02/325031002.db2.gz OEJJIMYDSLWPHN-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)ccn1 ZINC000130258015 325031320 /nfs/dbraw/zinc/03/13/20/325031320.db2.gz OEJJIMYDSLWPHN-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130269948 490361253 /nfs/dbraw/zinc/36/12/53/490361253.db2.gz UWEGXAHAXYEUDA-HOTGVXAUSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130270191 490361235 /nfs/dbraw/zinc/36/12/35/490361235.db2.gz UWEGXAHAXYEUDA-CVEARBPZSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130270412 490361813 /nfs/dbraw/zinc/36/18/13/490361813.db2.gz UWEGXAHAXYEUDA-JKSUJKDBSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130270602 490363342 /nfs/dbraw/zinc/36/33/42/490363342.db2.gz UWEGXAHAXYEUDA-HZPDHXFCSA-N 1 0 247.382 3.697 20 0 BHADRO CC1CCC([N@H+](Cc2ccncc2)C2CC2)CC1 ZINC000130282675 325034634 /nfs/dbraw/zinc/03/46/34/325034634.db2.gz QFRQFBYFUDCNNI-UHFFFAOYSA-N 1 0 244.382 3.625 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000130292967 323010696 /nfs/dbraw/zinc/01/06/96/323010696.db2.gz PEABMJQKENOEOX-KGLIPLIRSA-N 1 0 219.372 3.623 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000130293071 325036089 /nfs/dbraw/zinc/03/60/89/325036089.db2.gz HXSMNFHYTVQOQB-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000130293205 325035797 /nfs/dbraw/zinc/03/57/97/325035797.db2.gz PEABMJQKENOEOX-KBPBESRZSA-N 1 0 219.372 3.623 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000130293323 325036136 /nfs/dbraw/zinc/03/61/36/325036136.db2.gz HXSMNFHYTVQOQB-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)cc(C)c1 ZINC000130293457 325036082 /nfs/dbraw/zinc/03/60/82/325036082.db2.gz PEABMJQKENOEOX-ZIAGYGMSSA-N 1 0 219.372 3.623 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c1 ZINC000130293545 325036163 /nfs/dbraw/zinc/03/61/63/325036163.db2.gz HXSMNFHYTVQOQB-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)Cc1cc(C)cc(C)c1 ZINC000130293682 325036159 /nfs/dbraw/zinc/03/61/59/325036159.db2.gz PEABMJQKENOEOX-UONOGXRCSA-N 1 0 219.372 3.623 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@H]2CCCO2)c1 ZINC000130293769 325036207 /nfs/dbraw/zinc/03/62/07/325036207.db2.gz HXSMNFHYTVQOQB-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CCC(CC)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000130297935 490370937 /nfs/dbraw/zinc/37/09/37/490370937.db2.gz HNXGIPOYTYYYAG-UHFFFAOYSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(O)cc2)c1 ZINC000130298190 490370760 /nfs/dbraw/zinc/37/07/60/490370760.db2.gz HSSUYHFNAJARNI-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(O)cc2)c1 ZINC000130298405 490370727 /nfs/dbraw/zinc/37/07/27/490370727.db2.gz HSSUYHFNAJARNI-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130301324 490370260 /nfs/dbraw/zinc/37/02/60/490370260.db2.gz PZEWVINOGKJMED-DOMZBBRYSA-N 1 0 247.382 3.697 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130301529 490370332 /nfs/dbraw/zinc/37/03/32/490370332.db2.gz PZEWVINOGKJMED-WFASDCNBSA-N 1 0 247.382 3.697 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130301768 490370786 /nfs/dbraw/zinc/37/07/86/490370786.db2.gz PZEWVINOGKJMED-IUODEOHRSA-N 1 0 247.382 3.697 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000130302035 490370797 /nfs/dbraw/zinc/37/07/97/490370797.db2.gz PZEWVINOGKJMED-SWLSCSKDSA-N 1 0 247.382 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000130304867 325036552 /nfs/dbraw/zinc/03/65/52/325036552.db2.gz FZEYNJRWIGVCIL-SKDRFNHKSA-N 1 0 241.737 3.757 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)CC2 ZINC000130304925 325036684 /nfs/dbraw/zinc/03/66/84/325036684.db2.gz ZAWXDUYBNQKLAZ-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000130305099 325036715 /nfs/dbraw/zinc/03/67/15/325036715.db2.gz FZEYNJRWIGVCIL-CABZTGNLSA-N 1 0 241.737 3.757 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)CC2 ZINC000130305143 325037498 /nfs/dbraw/zinc/03/74/98/325037498.db2.gz ZAWXDUYBNQKLAZ-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000130305296 325036419 /nfs/dbraw/zinc/03/64/19/325036419.db2.gz FZEYNJRWIGVCIL-BXKDBHETSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000130305507 325037804 /nfs/dbraw/zinc/03/78/04/325037804.db2.gz FZEYNJRWIGVCIL-JOYOIKCWSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cc2c(s1)CCC2 ZINC000130308198 325037478 /nfs/dbraw/zinc/03/74/78/325037478.db2.gz NADGNEBJPAVMLF-JTQLQIEISA-N 1 0 235.396 3.688 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cc2c(s1)CCC2 ZINC000130308354 323010778 /nfs/dbraw/zinc/01/07/78/323010778.db2.gz NADGNEBJPAVMLF-SNVBAGLBSA-N 1 0 235.396 3.688 20 0 BHADRO C[N@H+](Cc1ccncc1)C1CCCCCCC1 ZINC000130311884 591457595 /nfs/dbraw/zinc/45/75/95/591457595.db2.gz JBXRGMCPLMOURH-UHFFFAOYSA-N 1 0 232.371 3.626 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC2CC2)c1C ZINC000130314490 325037986 /nfs/dbraw/zinc/03/79/86/325037986.db2.gz GZEUWAUBUURBRD-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC2CC2)c1C ZINC000130314675 325038107 /nfs/dbraw/zinc/03/81/07/325038107.db2.gz GZEUWAUBUURBRD-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000130317380 325038909 /nfs/dbraw/zinc/03/89/09/325038909.db2.gz HMCWTYACVXNDCY-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000130317772 325038761 /nfs/dbraw/zinc/03/87/61/325038761.db2.gz HMCWTYACVXNDCY-LZWOXQAQSA-N 1 0 247.382 3.522 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CCC2)s1 ZINC000130332958 591459085 /nfs/dbraw/zinc/45/90/85/591459085.db2.gz ANHFBSSHORTDOD-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCc1ccc(C[NH2+]CCC2CCC2)s1 ZINC000130334327 591458677 /nfs/dbraw/zinc/45/86/77/591458677.db2.gz GMGAVRZCPAZBCJ-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO Clc1cccc(C[NH2+]CCC2CCC2)c1 ZINC000130334738 591458226 /nfs/dbraw/zinc/45/82/26/591458226.db2.gz CGFDOQFOROZKOW-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO Cc1cccc(C[NH2+]CCC2CCC2)c1C ZINC000130340796 591459343 /nfs/dbraw/zinc/45/93/43/591459343.db2.gz ZCXSCUMZNASTGJ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CSc1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000130344492 591459368 /nfs/dbraw/zinc/45/93/68/591459368.db2.gz TYJNTEKCNVGYLD-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cn1 ZINC000130346310 325043702 /nfs/dbraw/zinc/04/37/02/325043702.db2.gz MZTYQZFLHVJAIF-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)cn1 ZINC000130346549 325043837 /nfs/dbraw/zinc/04/38/37/325043837.db2.gz MZTYQZFLHVJAIF-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)cn1 ZINC000130346748 325043911 /nfs/dbraw/zinc/04/39/11/325043911.db2.gz MZTYQZFLHVJAIF-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)cn1 ZINC000130346981 325043785 /nfs/dbraw/zinc/04/37/85/325043785.db2.gz MZTYQZFLHVJAIF-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+]CCC1CCC1 ZINC000130347948 591458457 /nfs/dbraw/zinc/45/84/57/591458457.db2.gz BIKWKOCZGAOEEW-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Clc1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000130353046 591459203 /nfs/dbraw/zinc/45/92/03/591459203.db2.gz IEMIJHWCAUMOKQ-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO Fc1cc(C[NH2+]CCC2CCC2)ccc1Cl ZINC000130354812 591458603 /nfs/dbraw/zinc/45/86/03/591458603.db2.gz UWUGNAUSIZMBJJ-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)C1CCCCC1 ZINC000130385359 325047113 /nfs/dbraw/zinc/04/71/13/325047113.db2.gz SQHTUMHRTRVTAL-UBHUBRDASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)C1CCCCC1 ZINC000130385563 325047548 /nfs/dbraw/zinc/04/75/48/325047548.db2.gz SQHTUMHRTRVTAL-UXUKBGGZSA-N 1 0 209.377 3.733 20 0 BHADRO CC1CC([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000130387833 325047387 /nfs/dbraw/zinc/04/73/87/325047387.db2.gz VJCUBRVJQCTJIW-WIQPZXRYSA-N 1 0 235.758 3.715 20 0 BHADRO CC1CC([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000130388056 325047026 /nfs/dbraw/zinc/04/70/26/325047026.db2.gz VJCUBRVJQCTJIW-ASYNLNLVSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cc2c(s1)CCC2 ZINC000130393918 325048095 /nfs/dbraw/zinc/04/80/95/325048095.db2.gz PWOYXYUYAAZBME-YZRBJQDESA-N 1 0 235.396 3.686 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cc2c(s1)CCC2 ZINC000130394130 325047973 /nfs/dbraw/zinc/04/79/73/325047973.db2.gz PWOYXYUYAAZBME-SQLBVSGCSA-N 1 0 235.396 3.686 20 0 BHADRO Cc1cccc(C[NH2+]Cc2c(C)cccc2C)c1 ZINC000130398574 325048059 /nfs/dbraw/zinc/04/80/59/325048059.db2.gz HYHZUTAFDAAIPA-UHFFFAOYSA-N 1 0 239.362 3.902 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ncc(CC)s1 ZINC000130400089 591463342 /nfs/dbraw/zinc/46/33/42/591463342.db2.gz DOOIBJCMYOPJNX-LLVKDONJSA-N 1 0 240.416 3.764 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1c(C)cccc1C ZINC000130400217 325048848 /nfs/dbraw/zinc/04/88/48/325048848.db2.gz UHGDFVQTWSJKGC-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ncc(CC)s1 ZINC000130400293 591462862 /nfs/dbraw/zinc/46/28/62/591462862.db2.gz DOOIBJCMYOPJNX-NSHDSACASA-N 1 0 240.416 3.764 20 0 BHADRO Cc1ccc(C[NH2+]Cc2c(C)cccc2C)s1 ZINC000130401315 325048775 /nfs/dbraw/zinc/04/87/75/325048775.db2.gz PREPWOXJFUHMSH-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000130412609 325049462 /nfs/dbraw/zinc/04/94/62/325049462.db2.gz GVDLEWKCYSMOMO-BDAKNGLRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000130412854 325049278 /nfs/dbraw/zinc/04/92/78/325049278.db2.gz GVDLEWKCYSMOMO-IUCAKERBSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000130413048 325049619 /nfs/dbraw/zinc/04/96/19/325049619.db2.gz GVDLEWKCYSMOMO-RKDXNWHRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000130413263 325049265 /nfs/dbraw/zinc/04/92/65/325049265.db2.gz GVDLEWKCYSMOMO-DTWKUNHWSA-N 1 0 229.726 3.928 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000130438323 325051840 /nfs/dbraw/zinc/05/18/40/325051840.db2.gz XYIBGFLWSBXZFE-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000130438522 325051498 /nfs/dbraw/zinc/05/14/98/325051498.db2.gz XYIBGFLWSBXZFE-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000130438754 325052546 /nfs/dbraw/zinc/05/25/46/325052546.db2.gz XYIBGFLWSBXZFE-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000130438958 325052403 /nfs/dbraw/zinc/05/24/03/325052403.db2.gz XYIBGFLWSBXZFE-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCCC3)C2)ccn1 ZINC000130444128 358625568 /nfs/dbraw/zinc/62/55/68/358625568.db2.gz KEKRQHCUPMKUDA-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO CSCCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000130464752 325054597 /nfs/dbraw/zinc/05/45/97/325054597.db2.gz APGCXBGZJOUDJR-WYMLVPIESA-N 1 0 249.423 3.823 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130466218 385042729 /nfs/dbraw/zinc/04/27/29/385042729.db2.gz LNRFPBVJOJXZBZ-YUMQZZPRSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130466421 385045188 /nfs/dbraw/zinc/04/51/88/385045188.db2.gz LNRFPBVJOJXZBZ-SFYZADRCSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000130466604 385046130 /nfs/dbraw/zinc/04/61/30/385046130.db2.gz LNRFPBVJOJXZBZ-JGVFFNPUSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000130466806 385045990 /nfs/dbraw/zinc/04/59/90/385045990.db2.gz LNRFPBVJOJXZBZ-HTQZYQBOSA-N 1 0 249.832 3.804 20 0 BHADRO CSCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000130467225 325054456 /nfs/dbraw/zinc/05/44/56/325054456.db2.gz RDGMAPJFQGEWRE-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130476366 323011182 /nfs/dbraw/zinc/01/11/82/323011182.db2.gz SFYAAFDAYFYJFQ-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000130476575 325056323 /nfs/dbraw/zinc/05/63/23/325056323.db2.gz SFYAAFDAYFYJFQ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1cccs1 ZINC000130491366 325058095 /nfs/dbraw/zinc/05/80/95/325058095.db2.gz KDANTYGRQPEKQM-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1cccs1 ZINC000130491586 385043576 /nfs/dbraw/zinc/04/35/76/385043576.db2.gz KDANTYGRQPEKQM-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000130494370 535297365 /nfs/dbraw/zinc/29/73/65/535297365.db2.gz DVABONSBNVPHEU-GFCCVEGCSA-N 1 0 235.396 3.905 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000130494607 134619570 /nfs/dbraw/zinc/61/95/70/134619570.db2.gz DVABONSBNVPHEU-LBPRGKRZSA-N 1 0 235.396 3.905 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000130496917 325057950 /nfs/dbraw/zinc/05/79/50/325057950.db2.gz ZJACZEDWPVQPAG-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000130497173 325057284 /nfs/dbraw/zinc/05/72/84/325057284.db2.gz ZJACZEDWPVQPAG-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000130497994 325058237 /nfs/dbraw/zinc/05/82/37/325058237.db2.gz KBWWCHXBCBSDNY-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000130498208 325057877 /nfs/dbraw/zinc/05/78/77/325057877.db2.gz KBWWCHXBCBSDNY-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000130498394 325058338 /nfs/dbraw/zinc/05/83/38/325058338.db2.gz KBWWCHXBCBSDNY-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000130498610 325057922 /nfs/dbraw/zinc/05/79/22/325057922.db2.gz KBWWCHXBCBSDNY-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000130499732 491128226 /nfs/dbraw/zinc/12/82/26/491128226.db2.gz UUOBLXHSQFJKLW-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000130499930 491128191 /nfs/dbraw/zinc/12/81/91/491128191.db2.gz UUOBLXHSQFJKLW-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(CC)CC2)o1 ZINC000130502425 358630030 /nfs/dbraw/zinc/63/00/30/358630030.db2.gz KLAQOSIWQLYUPE-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(CC)CC2)o1 ZINC000130502633 358629999 /nfs/dbraw/zinc/62/99/99/358629999.db2.gz KLAQOSIWQLYUPE-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000130504253 385253861 /nfs/dbraw/zinc/25/38/61/385253861.db2.gz QRMARLWRINIEGB-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000130504474 168481616 /nfs/dbraw/zinc/48/16/16/168481616.db2.gz QRMARLWRINIEGB-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)s1 ZINC000130509468 325060118 /nfs/dbraw/zinc/06/01/18/325060118.db2.gz ASPJWJCVDUZZSK-YPMHNXCESA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)s1 ZINC000130509704 325060250 /nfs/dbraw/zinc/06/02/50/325060250.db2.gz ASPJWJCVDUZZSK-AAEUAGOBSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)s1 ZINC000130509917 325060965 /nfs/dbraw/zinc/06/09/65/325060965.db2.gz ASPJWJCVDUZZSK-DGCLKSJQSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1[nH+]c2c(n1CC1CCCCC1)CCCC2 ZINC000130509934 343181415 /nfs/dbraw/zinc/18/14/15/343181415.db2.gz XVJJSXAHOXEDPK-UHFFFAOYSA-N 1 0 232.371 3.651 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)s1 ZINC000130510122 325060731 /nfs/dbraw/zinc/06/07/31/325060731.db2.gz ASPJWJCVDUZZSK-WCQYABFASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1[nH+]c2c(n1CCC(C)(C)C)CCCC2 ZINC000130514727 343181394 /nfs/dbraw/zinc/18/13/94/343181394.db2.gz YCBWHMYCTXANNI-UHFFFAOYSA-N 1 0 220.360 3.507 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1cccs1 ZINC000130516568 325060934 /nfs/dbraw/zinc/06/09/34/325060934.db2.gz RFOTWWCMEPLJDM-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1cccs1 ZINC000130516770 325060905 /nfs/dbraw/zinc/06/09/05/325060905.db2.gz RFOTWWCMEPLJDM-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1C ZINC000130519449 325062237 /nfs/dbraw/zinc/06/22/37/325062237.db2.gz ATXLSXKQXHRDTP-NEPJUHHUSA-N 1 0 223.385 3.725 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3sccc32)CCC1 ZINC000130519635 358629754 /nfs/dbraw/zinc/62/97/54/358629754.db2.gz SYCBXYRBQMELJY-GFCCVEGCSA-N 1 0 235.396 3.905 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1sccc1C ZINC000130519665 325061896 /nfs/dbraw/zinc/06/18/96/325061896.db2.gz ATXLSXKQXHRDTP-RYUDHWBXSA-N 1 0 223.385 3.725 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3sccc32)CCC1 ZINC000130519876 358630004 /nfs/dbraw/zinc/63/00/04/358630004.db2.gz SYCBXYRBQMELJY-LBPRGKRZSA-N 1 0 235.396 3.905 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1sccc1C ZINC000130519888 325062115 /nfs/dbraw/zinc/06/21/15/325062115.db2.gz ATXLSXKQXHRDTP-VXGBXAGGSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1sccc1C ZINC000130520070 325062350 /nfs/dbraw/zinc/06/23/50/325062350.db2.gz ATXLSXKQXHRDTP-NWDGAFQWSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000130522520 325062989 /nfs/dbraw/zinc/06/29/89/325062989.db2.gz UZEDRHISVSAJBR-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000130522698 325062975 /nfs/dbraw/zinc/06/29/75/325062975.db2.gz UZEDRHISVSAJBR-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000130524002 325062898 /nfs/dbraw/zinc/06/28/98/325062898.db2.gz HKWGLJFLGIQJML-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000130524200 323011430 /nfs/dbraw/zinc/01/14/30/323011430.db2.gz HKWGLJFLGIQJML-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000130524435 325062756 /nfs/dbraw/zinc/06/27/56/325062756.db2.gz HKWGLJFLGIQJML-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000130524608 325063046 /nfs/dbraw/zinc/06/30/46/325063046.db2.gz HKWGLJFLGIQJML-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2(C)CCC2)c(C)s1 ZINC000130525757 490389136 /nfs/dbraw/zinc/38/91/36/490389136.db2.gz XRCKFLSSKHQVJT-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2(C)CCC2)c(C)s1 ZINC000130525981 490388952 /nfs/dbraw/zinc/38/89/52/490388952.db2.gz XRCKFLSSKHQVJT-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)s1 ZINC000130527106 344222773 /nfs/dbraw/zinc/22/27/73/344222773.db2.gz BTRIKKUKFKGMDV-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C ZINC000130527258 325063016 /nfs/dbraw/zinc/06/30/16/325063016.db2.gz BSOJYRJBNNWQLD-HIFRSBDPSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCC2)s1 ZINC000130527279 344222364 /nfs/dbraw/zinc/22/23/64/344222364.db2.gz BTRIKKUKFKGMDV-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CC(C)C[N@H+](Cc1cccc2c1NCC2)C(C)C ZINC000130527319 353353651 /nfs/dbraw/zinc/35/36/51/353353651.db2.gz XBSDZTRGVDKKSY-UHFFFAOYSA-N 1 0 246.398 3.521 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C ZINC000130527456 325063111 /nfs/dbraw/zinc/06/31/11/325063111.db2.gz BSOJYRJBNNWQLD-ZFWWWQNUSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C ZINC000130527677 325062779 /nfs/dbraw/zinc/06/27/79/325062779.db2.gz BSOJYRJBNNWQLD-UKRRQHHQSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C ZINC000130527903 325063837 /nfs/dbraw/zinc/06/38/37/325063837.db2.gz BSOJYRJBNNWQLD-DZGCQCFKSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1(C)CCC1 ZINC000130530073 325064256 /nfs/dbraw/zinc/06/42/56/325064256.db2.gz IUKNSCAIPFCCFW-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000130530330 325064143 /nfs/dbraw/zinc/06/41/43/325064143.db2.gz IUKNSCAIPFCCFW-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)o1 ZINC000130530542 358631033 /nfs/dbraw/zinc/63/10/33/358631033.db2.gz UCWUMUDIKJLWEE-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C)CCC2)o1 ZINC000130530751 358630915 /nfs/dbraw/zinc/63/09/15/358630915.db2.gz UCWUMUDIKJLWEE-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc2c1NCC2)C(C)(C)C ZINC000130531707 343181652 /nfs/dbraw/zinc/18/16/52/343181652.db2.gz RYOLEQSFODGAIQ-LBPRGKRZSA-N 1 0 246.398 3.521 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc2c1NCC2)C(C)(C)C ZINC000130531912 343181663 /nfs/dbraw/zinc/18/16/63/343181663.db2.gz RYOLEQSFODGAIQ-GFCCVEGCSA-N 1 0 246.398 3.521 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(Cl)nc1 ZINC000130532288 176835820 /nfs/dbraw/zinc/83/58/20/176835820.db2.gz FDAPMCZIQUCBCE-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(Cl)nc1 ZINC000130532512 385258217 /nfs/dbraw/zinc/25/82/17/385258217.db2.gz FDAPMCZIQUCBCE-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO FC(F)(F)CCCC[NH+]1CCCCCCC1 ZINC000130541472 591481185 /nfs/dbraw/zinc/48/11/85/591481185.db2.gz ZTDSAQUIDYJVLT-UHFFFAOYSA-N 1 0 237.309 3.985 20 0 BHADRO Cc1[nH+]c2c(n1CCCC(C)C)CCCC2 ZINC000130543212 343181432 /nfs/dbraw/zinc/18/14/32/343181432.db2.gz BBKIWTCTMOQBNR-UHFFFAOYSA-N 1 0 220.360 3.507 20 0 BHADRO Fc1ccccc1C1([NH2+]Cc2ccccc2)CC1 ZINC000130548536 181010608 /nfs/dbraw/zinc/01/06/08/181010608.db2.gz NALBFTAQVQUIQJ-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000130553667 325066295 /nfs/dbraw/zinc/06/62/95/325066295.db2.gz YEXQYUXOKPQWRU-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC000130554124 325066514 /nfs/dbraw/zinc/06/65/14/325066514.db2.gz YEXQYUXOKPQWRU-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1cncs1 ZINC000130555140 325066766 /nfs/dbraw/zinc/06/67/66/325066766.db2.gz XVKQKRAWHARMGB-NSHDSACASA-N 1 0 240.416 3.866 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)c1cncs1 ZINC000130555319 323011550 /nfs/dbraw/zinc/01/15/50/323011550.db2.gz XVKQKRAWHARMGB-LLVKDONJSA-N 1 0 240.416 3.866 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000130559178 325066469 /nfs/dbraw/zinc/06/64/69/325066469.db2.gz KQWJGAZKOYWOHO-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000130559356 323011505 /nfs/dbraw/zinc/01/15/05/323011505.db2.gz KQWJGAZKOYWOHO-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000130559567 325066557 /nfs/dbraw/zinc/06/65/57/325066557.db2.gz KQWJGAZKOYWOHO-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000130559761 325066222 /nfs/dbraw/zinc/06/62/22/325066222.db2.gz KQWJGAZKOYWOHO-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000130560898 591483888 /nfs/dbraw/zinc/48/38/88/591483888.db2.gz LFZDYRSAVJQAMM-LBPRGKRZSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000130561084 591483824 /nfs/dbraw/zinc/48/38/24/591483824.db2.gz LFZDYRSAVJQAMM-GFCCVEGCSA-N 1 0 243.460 3.932 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000130561262 325067093 /nfs/dbraw/zinc/06/70/93/325067093.db2.gz NDEOSHUQYYLPSH-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000130561445 323011516 /nfs/dbraw/zinc/01/15/16/323011516.db2.gz NDEOSHUQYYLPSH-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)CC2CCC2)CC1 ZINC000130561455 490399644 /nfs/dbraw/zinc/39/96/44/490399644.db2.gz DFLUOVVXKMNSGO-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000130561625 325067013 /nfs/dbraw/zinc/06/70/13/325067013.db2.gz NDEOSHUQYYLPSH-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)CC2CCC2)CC1 ZINC000130561706 490348687 /nfs/dbraw/zinc/34/86/87/490348687.db2.gz DFLUOVVXKMNSGO-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000130561824 323011529 /nfs/dbraw/zinc/01/15/29/323011529.db2.gz NDEOSHUQYYLPSH-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000130563010 325067098 /nfs/dbraw/zinc/06/70/98/325067098.db2.gz TUTBRNDTZFRWII-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000130563238 325067115 /nfs/dbraw/zinc/06/71/15/325067115.db2.gz TUTBRNDTZFRWII-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CCc1cnc(C[NH2+][C@@H](C)CCC(C)C)s1 ZINC000130571986 325067832 /nfs/dbraw/zinc/06/78/32/325067832.db2.gz HTLASSCEZOWXIH-NSHDSACASA-N 1 0 240.416 3.620 20 0 BHADRO CCc1cnc(C[NH2+][C@H](C)CCC(C)C)s1 ZINC000130572220 325068067 /nfs/dbraw/zinc/06/80/67/325068067.db2.gz HTLASSCEZOWXIH-LLVKDONJSA-N 1 0 240.416 3.620 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000130574151 325067793 /nfs/dbraw/zinc/06/77/93/325067793.db2.gz BOYIAXPYGCVBQQ-NRMKIYEFSA-N 1 0 247.407 3.527 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CCSC1 ZINC000130574403 325068182 /nfs/dbraw/zinc/06/81/82/325068182.db2.gz BOYIAXPYGCVBQQ-VOMSXAGXSA-N 1 0 247.407 3.527 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000130576099 325067943 /nfs/dbraw/zinc/06/79/43/325067943.db2.gz DXBJQVKMVSMEAH-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000130576308 325068123 /nfs/dbraw/zinc/06/81/23/325068123.db2.gz DXBJQVKMVSMEAH-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000130576507 385043801 /nfs/dbraw/zinc/04/38/01/385043801.db2.gz DXBJQVKMVSMEAH-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000130576721 322962816 /nfs/dbraw/zinc/96/28/16/322962816.db2.gz DXBJQVKMVSMEAH-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(C)C)CC1 ZINC000130578741 325068712 /nfs/dbraw/zinc/06/87/12/325068712.db2.gz OCCJVTBBHOUWEU-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1(C(C)C)CC1 ZINC000130578984 325068899 /nfs/dbraw/zinc/06/88/99/325068899.db2.gz OCCJVTBBHOUWEU-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1(C(C)C)CC1 ZINC000130579224 325068458 /nfs/dbraw/zinc/06/84/58/325068458.db2.gz OCCJVTBBHOUWEU-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1(C(C)C)CC1 ZINC000130579417 325068802 /nfs/dbraw/zinc/06/88/02/325068802.db2.gz OCCJVTBBHOUWEU-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130579860 325068756 /nfs/dbraw/zinc/06/87/56/325068756.db2.gz VYRRDXWWKHUPJX-MJBXVCDLSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130580265 325068747 /nfs/dbraw/zinc/06/87/47/325068747.db2.gz VYRRDXWWKHUPJX-IHRRRGAJSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000130580460 325068777 /nfs/dbraw/zinc/06/87/77/325068777.db2.gz QQRAHGGLSFXEQM-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000130580661 385045488 /nfs/dbraw/zinc/04/54/88/385045488.db2.gz QQRAHGGLSFXEQM-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CCCCOCCC[NH2+]Cc1ccc(C)cc1C ZINC000130593706 325069438 /nfs/dbraw/zinc/06/94/38/325069438.db2.gz VFKBYOOKFKKYLT-UHFFFAOYSA-N 1 0 249.398 3.600 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C1CCC1 ZINC000130594574 490407612 /nfs/dbraw/zinc/40/76/12/490407612.db2.gz FMMVCRMDHBCYKJ-XGNXJENSSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C1CCC1 ZINC000130594768 490408157 /nfs/dbraw/zinc/40/81/57/490408157.db2.gz FMMVCRMDHBCYKJ-LMWSTFAQSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000130605078 358637546 /nfs/dbraw/zinc/63/75/46/358637546.db2.gz ATYVTPVFBLUTMO-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000130605281 358637625 /nfs/dbraw/zinc/63/76/25/358637625.db2.gz ATYVTPVFBLUTMO-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000130605794 325071789 /nfs/dbraw/zinc/07/17/89/325071789.db2.gz PXGCKHMWBLIQDC-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000130605979 325071831 /nfs/dbraw/zinc/07/18/31/325071831.db2.gz PXGCKHMWBLIQDC-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(CC)s2)o1 ZINC000130612714 325073030 /nfs/dbraw/zinc/07/30/30/325073030.db2.gz HRJRTTALWXWYQO-UHFFFAOYSA-N 1 0 249.379 3.756 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000130617527 325073043 /nfs/dbraw/zinc/07/30/43/325073043.db2.gz QSEGXVDRGXQFRB-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000130617710 325073290 /nfs/dbraw/zinc/07/32/90/325073290.db2.gz QSEGXVDRGXQFRB-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c1 ZINC000130620995 325073775 /nfs/dbraw/zinc/07/37/75/325073775.db2.gz WWKUPEUJAKEGMA-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2(C)CCCO2)c1 ZINC000130621191 325073625 /nfs/dbraw/zinc/07/36/25/325073625.db2.gz WWKUPEUJAKEGMA-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000130621407 325073715 /nfs/dbraw/zinc/07/37/15/325073715.db2.gz WWKUPEUJAKEGMA-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000130621679 325074378 /nfs/dbraw/zinc/07/43/78/325074378.db2.gz WWKUPEUJAKEGMA-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000130626499 325074471 /nfs/dbraw/zinc/07/44/71/325074471.db2.gz IUFVKKGPVZGNCT-HIFRSBDPSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000130626673 325074406 /nfs/dbraw/zinc/07/44/06/325074406.db2.gz IUFVKKGPVZGNCT-ZFWWWQNUSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000130626770 325074289 /nfs/dbraw/zinc/07/42/89/325074289.db2.gz IUFVKKGPVZGNCT-UKRRQHHQSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000130626969 323917353 /nfs/dbraw/zinc/91/73/53/323917353.db2.gz IUFVKKGPVZGNCT-DZGCQCFKSA-N 1 0 249.423 3.850 20 0 BHADRO c1cnc2ccc(C[NH2+]CCCC3CC3)cc2c1 ZINC000130627988 363846177 /nfs/dbraw/zinc/84/61/77/363846177.db2.gz ZRPGJDKATWUTIS-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000130641321 490432160 /nfs/dbraw/zinc/43/21/60/490432160.db2.gz IOYYUNXFGJDBBM-RYUDHWBXSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000130641526 490432045 /nfs/dbraw/zinc/43/20/45/490432045.db2.gz IOYYUNXFGJDBBM-NEPJUHHUSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1cccc(O)c1 ZINC000130641757 490432939 /nfs/dbraw/zinc/43/29/39/490432939.db2.gz IOYYUNXFGJDBBM-NWDGAFQWSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000130641950 490432331 /nfs/dbraw/zinc/43/23/31/490432331.db2.gz IOYYUNXFGJDBBM-VXGBXAGGSA-N 1 0 233.355 3.622 20 0 BHADRO CCCCOCCC[NH2+]C1CCC(CC)CC1 ZINC000130644611 323011709 /nfs/dbraw/zinc/01/17/09/323011709.db2.gz NFXAGMSMPWJARS-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC1CCC1 ZINC000130646277 591493110 /nfs/dbraw/zinc/49/31/10/591493110.db2.gz HNOUNHVPADIHJL-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC1CCC1 ZINC000130646505 591493871 /nfs/dbraw/zinc/49/38/71/591493871.db2.gz HNOUNHVPADIHJL-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC2CCC2)o1 ZINC000130650098 591495457 /nfs/dbraw/zinc/49/54/57/591495457.db2.gz CAVKZFNACGNWBV-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC2CCC2)o1 ZINC000130650316 591493424 /nfs/dbraw/zinc/49/34/24/591493424.db2.gz CAVKZFNACGNWBV-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc(Cl)nc1 ZINC000130651842 591495055 /nfs/dbraw/zinc/49/50/55/591495055.db2.gz VAGXEVWMPMUNIR-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(Cl)nc1 ZINC000130652070 591495075 /nfs/dbraw/zinc/49/50/75/591495075.db2.gz VAGXEVWMPMUNIR-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CCC1CCC1 ZINC000130653118 591494862 /nfs/dbraw/zinc/49/48/62/591494862.db2.gz ZNEHEOKVIFNLQN-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CCC1CCC1 ZINC000130653343 591495407 /nfs/dbraw/zinc/49/54/07/591495407.db2.gz ZNEHEOKVIFNLQN-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC1CCC1 ZINC000130653596 591495228 /nfs/dbraw/zinc/49/52/28/591495228.db2.gz RADKYQHOGNKIKW-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC1CCC1 ZINC000130653844 591494800 /nfs/dbraw/zinc/49/48/00/591494800.db2.gz RADKYQHOGNKIKW-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000130655116 344223350 /nfs/dbraw/zinc/22/33/50/344223350.db2.gz XVVNCCGOUWFKHE-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)C2(C)CC2)CC1 ZINC000130655318 134621840 /nfs/dbraw/zinc/62/18/40/134621840.db2.gz XVVNCCGOUWFKHE-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130655413 591494810 /nfs/dbraw/zinc/49/48/10/591494810.db2.gz NRMGPPJDBGCKAW-CQSZACIVSA-N 1 0 249.402 3.744 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130655626 591495199 /nfs/dbraw/zinc/49/51/99/591495199.db2.gz NRMGPPJDBGCKAW-AWEZNQCLSA-N 1 0 249.402 3.744 20 0 BHADRO CC[C@H]([NH2+]CC1(CC(C)C)CC1)C1CC1 ZINC000130656449 325076812 /nfs/dbraw/zinc/07/68/12/325076812.db2.gz IYBXUKIQPIJZSO-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC(C)C)CC1)C1CC1 ZINC000130656672 325076709 /nfs/dbraw/zinc/07/67/09/325076709.db2.gz IYBXUKIQPIJZSO-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccoc2)CC1 ZINC000130657385 325077264 /nfs/dbraw/zinc/07/72/64/325077264.db2.gz XJMUVKBEVOAOLP-LBPRGKRZSA-N 1 0 221.344 3.757 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccoc2)CC1 ZINC000130657600 325077078 /nfs/dbraw/zinc/07/70/78/325077078.db2.gz XJMUVKBEVOAOLP-GFCCVEGCSA-N 1 0 221.344 3.757 20 0 BHADRO CCCC[N@H+](CC)CCCCC(F)(F)F ZINC000130660263 323011750 /nfs/dbraw/zinc/01/17/50/323011750.db2.gz ZAAFVCGPIDTARW-UHFFFAOYSA-N 1 0 225.298 3.841 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000130660458 325077825 /nfs/dbraw/zinc/07/78/25/325077825.db2.gz KNVGNWYKICSXEG-NSHDSACASA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cscn2)CC1 ZINC000130660603 325077587 /nfs/dbraw/zinc/07/75/87/325077587.db2.gz KNVGNWYKICSXEG-LLVKDONJSA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000130661280 325077961 /nfs/dbraw/zinc/07/79/61/325077961.db2.gz KRUDTZPOFBHYPF-UHFFFAOYSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cncs2)CC1 ZINC000130661987 358638790 /nfs/dbraw/zinc/63/87/90/358638790.db2.gz OMFAFXYDQZIUBZ-NSHDSACASA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cncs2)CC1 ZINC000130662208 358638532 /nfs/dbraw/zinc/63/85/32/358638532.db2.gz OMFAFXYDQZIUBZ-LLVKDONJSA-N 1 0 238.400 3.620 20 0 BHADRO CCC[N@H+](CCCCC(F)(F)F)CC1CC1 ZINC000130664201 325078566 /nfs/dbraw/zinc/07/85/66/325078566.db2.gz ISRLWFJWPJDEAO-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CSc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000130675144 325079482 /nfs/dbraw/zinc/07/94/82/325079482.db2.gz CQWJAOADLSTBBU-UHFFFAOYSA-N 1 0 247.407 3.688 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCSCC1 ZINC000130676543 323011695 /nfs/dbraw/zinc/01/16/95/323011695.db2.gz XAOJJVZKKQJHBG-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CCSCC1 ZINC000130676790 325079560 /nfs/dbraw/zinc/07/95/60/325079560.db2.gz XAOJJVZKKQJHBG-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000130679630 325079753 /nfs/dbraw/zinc/07/97/53/325079753.db2.gz SLZZTGXHGUKWTI-MOKVOYLWSA-N 1 0 207.361 3.654 20 0 BHADRO CCC1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000130679867 325079894 /nfs/dbraw/zinc/07/98/94/325079894.db2.gz SLZZTGXHGUKWTI-ROKHWSDSSA-N 1 0 207.361 3.654 20 0 BHADRO c1c2ccccc2oc1C[NH2+]CC1(C2CC2)CC1 ZINC000130680770 325080267 /nfs/dbraw/zinc/08/02/67/325080267.db2.gz CYVSTLSFMVWIKF-UHFFFAOYSA-N 1 0 241.334 3.713 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2C=CCCC2)C[C@H](C)C1 ZINC000130681959 325080071 /nfs/dbraw/zinc/08/00/71/325080071.db2.gz WVNMFYXYEURLEQ-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000130684728 325080124 /nfs/dbraw/zinc/08/01/24/325080124.db2.gz CRXKOTWHKLOSOI-HIFRSBDPSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000130684949 323011735 /nfs/dbraw/zinc/01/17/35/323011735.db2.gz CRXKOTWHKLOSOI-ZFWWWQNUSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000130685132 325078795 /nfs/dbraw/zinc/07/87/95/325078795.db2.gz CRXKOTWHKLOSOI-UKRRQHHQSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)CCC(C)(C)C)s1 ZINC000130685243 325080243 /nfs/dbraw/zinc/08/02/43/325080243.db2.gz FJYQGOIKRHSOCL-JTQLQIEISA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000130685312 325080251 /nfs/dbraw/zinc/08/02/51/325080251.db2.gz CRXKOTWHKLOSOI-DZGCQCFKSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)CCC(C)(C)C)s1 ZINC000130685450 325079832 /nfs/dbraw/zinc/07/98/32/325079832.db2.gz FJYQGOIKRHSOCL-SNVBAGLBSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CCC(C)(C)C)n1 ZINC000130687037 325080193 /nfs/dbraw/zinc/08/01/93/325080193.db2.gz LWUBZJYCYDOPLP-JTQLQIEISA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CCC(C)(C)C)n1 ZINC000130687241 325079781 /nfs/dbraw/zinc/07/97/81/325079781.db2.gz LWUBZJYCYDOPLP-SNVBAGLBSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)CCC(C)(C)C)cs1 ZINC000130687468 364423407 /nfs/dbraw/zinc/42/34/07/364423407.db2.gz GIDPFEZNAHBCTJ-JTQLQIEISA-N 1 0 240.416 3.756 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)CCC(C)(C)C)cs1 ZINC000130687676 364424193 /nfs/dbraw/zinc/42/41/93/364424193.db2.gz GIDPFEZNAHBCTJ-SNVBAGLBSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000130688781 364432369 /nfs/dbraw/zinc/43/23/69/364432369.db2.gz KXSRXQUSVMAUEG-LBPRGKRZSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000130688990 364431917 /nfs/dbraw/zinc/43/19/17/364431917.db2.gz KXSRXQUSVMAUEG-GFCCVEGCSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@@H](C[N@H+](C)CCC(C)(C)C)c1nccs1 ZINC000130689378 325080579 /nfs/dbraw/zinc/08/05/79/325080579.db2.gz UYDFOAQWHVQVJI-NSHDSACASA-N 1 0 240.416 3.615 20 0 BHADRO C[C@H](C[N@H+](C)CCC(C)(C)C)c1nccs1 ZINC000130689557 325080449 /nfs/dbraw/zinc/08/04/49/325080449.db2.gz UYDFOAQWHVQVJI-LLVKDONJSA-N 1 0 240.416 3.615 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccco1 ZINC000130689675 325080766 /nfs/dbraw/zinc/08/07/66/325080766.db2.gz YJJTZZTWYOWKBG-NSHDSACASA-N 1 0 209.333 3.584 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccco1 ZINC000130689868 325080982 /nfs/dbraw/zinc/08/09/82/325080982.db2.gz YJJTZZTWYOWKBG-LLVKDONJSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1cc(F)ccc1F ZINC000130691368 490447171 /nfs/dbraw/zinc/44/71/71/490447171.db2.gz RAECLWCFSCLXQW-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1cc(F)ccc1F ZINC000130691532 490446571 /nfs/dbraw/zinc/44/65/71/490446571.db2.gz RAECLWCFSCLXQW-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130700806 325081518 /nfs/dbraw/zinc/08/15/18/325081518.db2.gz OSRJHWMQTRDVGU-KBPBESRZSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130701011 325081439 /nfs/dbraw/zinc/08/14/39/325081439.db2.gz OSRJHWMQTRDVGU-KGLIPLIRSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130701232 325081553 /nfs/dbraw/zinc/08/15/53/325081553.db2.gz OSRJHWMQTRDVGU-UONOGXRCSA-N 1 0 207.361 3.820 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130701436 325081445 /nfs/dbraw/zinc/08/14/45/325081445.db2.gz OSRJHWMQTRDVGU-ZIAGYGMSSA-N 1 0 207.361 3.820 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000130705881 343181894 /nfs/dbraw/zinc/18/18/94/343181894.db2.gz BUMPSRHPMSZDQU-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000130706076 343182081 /nfs/dbraw/zinc/18/20/81/343182081.db2.gz BUMPSRHPMSZDQU-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000130707434 325081449 /nfs/dbraw/zinc/08/14/49/325081449.db2.gz ILCTUGHCIOTNIL-MRXNPFEDSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000130707660 325081488 /nfs/dbraw/zinc/08/14/88/325081488.db2.gz ILCTUGHCIOTNIL-INIZCTEOSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000130709210 591503340 /nfs/dbraw/zinc/50/33/40/591503340.db2.gz KTKDGMGDISBRAQ-LBPRGKRZSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000130709413 591503677 /nfs/dbraw/zinc/50/36/77/591503677.db2.gz KTKDGMGDISBRAQ-GFCCVEGCSA-N 1 0 247.382 3.708 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)C1CCCCC1 ZINC000130710928 325080852 /nfs/dbraw/zinc/08/08/52/325080852.db2.gz YYBKWNJXQDNOBM-JSGCOSHPSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)C1CCCCC1 ZINC000130711184 325081610 /nfs/dbraw/zinc/08/16/10/325081610.db2.gz YYBKWNJXQDNOBM-OCCSQVGLSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)C1CCCCC1 ZINC000130711365 325081435 /nfs/dbraw/zinc/08/14/35/325081435.db2.gz YYBKWNJXQDNOBM-GXTWGEPZSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C3CC3)CC2)o1 ZINC000130711380 325081732 /nfs/dbraw/zinc/08/17/32/325081732.db2.gz BFHTUFRLWZKDRM-RISCZKNCSA-N 1 0 245.366 3.683 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)C1CCCCC1 ZINC000130711561 325081809 /nfs/dbraw/zinc/08/18/09/325081809.db2.gz YYBKWNJXQDNOBM-TZMCWYRMSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C3CC3)CC2)o1 ZINC000130711599 325081596 /nfs/dbraw/zinc/08/15/96/325081596.db2.gz BFHTUFRLWZKDRM-FZMZJTMJSA-N 1 0 245.366 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(C3CC3)CC2)o1 ZINC000130711834 325081754 /nfs/dbraw/zinc/08/17/54/325081754.db2.gz BFHTUFRLWZKDRM-BXUZGUMPSA-N 1 0 245.366 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(C3CC3)CC2)o1 ZINC000130712044 325081713 /nfs/dbraw/zinc/08/17/13/325081713.db2.gz BFHTUFRLWZKDRM-SMDDNHRTSA-N 1 0 245.366 3.683 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCCCCSC ZINC000130717153 591504590 /nfs/dbraw/zinc/50/45/90/591504590.db2.gz FYWOELGRWIJRJM-GFCCVEGCSA-N 1 0 217.422 3.546 20 0 BHADRO CC[C@H](C)C[NH2+]CCCCCCSC ZINC000130717355 591504968 /nfs/dbraw/zinc/50/49/68/591504968.db2.gz FYWOELGRWIJRJM-LBPRGKRZSA-N 1 0 217.422 3.546 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000130727325 325082341 /nfs/dbraw/zinc/08/23/41/325082341.db2.gz PCMYQMORCZILDF-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000130727776 325082373 /nfs/dbraw/zinc/08/23/73/325082373.db2.gz PCMYQMORCZILDF-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000130729982 325083127 /nfs/dbraw/zinc/08/31/27/325083127.db2.gz FJCBOWVYFWZKNQ-LBPRGKRZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000130730184 325082999 /nfs/dbraw/zinc/08/29/99/325082999.db2.gz FJCBOWVYFWZKNQ-GFCCVEGCSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130732574 325083076 /nfs/dbraw/zinc/08/30/76/325083076.db2.gz HKDWCUVAOVLDFN-MJBXVCDLSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130732970 325083270 /nfs/dbraw/zinc/08/32/70/325083270.db2.gz HKDWCUVAOVLDFN-IHRRRGAJSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130740522 325082961 /nfs/dbraw/zinc/08/29/61/325082961.db2.gz AKZUNQBYKGCENI-KGLIPLIRSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130740725 325082912 /nfs/dbraw/zinc/08/29/12/325082912.db2.gz AKZUNQBYKGCENI-KBPBESRZSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000130740935 325082930 /nfs/dbraw/zinc/08/29/30/325082930.db2.gz AKZUNQBYKGCENI-ZIAGYGMSSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000130741163 325083253 /nfs/dbraw/zinc/08/32/53/325083253.db2.gz AKZUNQBYKGCENI-UONOGXRCSA-N 1 0 247.382 3.577 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130744365 325083068 /nfs/dbraw/zinc/08/30/68/325083068.db2.gz XHRHGXNANIHSIX-KGLIPLIRSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130744596 325083092 /nfs/dbraw/zinc/08/30/92/325083092.db2.gz XHRHGXNANIHSIX-KBPBESRZSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000130744821 325083188 /nfs/dbraw/zinc/08/31/88/325083188.db2.gz XHRHGXNANIHSIX-ZIAGYGMSSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000130745026 325083315 /nfs/dbraw/zinc/08/33/15/325083315.db2.gz XHRHGXNANIHSIX-UONOGXRCSA-N 1 0 247.382 3.721 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000130754658 325084661 /nfs/dbraw/zinc/08/46/61/325084661.db2.gz OIBXSWWEZATYPU-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C(C)(C)C ZINC000130754862 325084620 /nfs/dbraw/zinc/08/46/20/325084620.db2.gz OIBXSWWEZATYPU-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C(C)(C)C ZINC000130755108 325084774 /nfs/dbraw/zinc/08/47/74/325084774.db2.gz OIBXSWWEZATYPU-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C(C)(C)C ZINC000130755311 325084650 /nfs/dbraw/zinc/08/46/50/325084650.db2.gz OIBXSWWEZATYPU-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000130757478 591514572 /nfs/dbraw/zinc/51/45/72/591514572.db2.gz JEMQBQXRQVWTBU-NSHDSACASA-N 1 0 249.379 3.664 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000130757682 591516340 /nfs/dbraw/zinc/51/63/40/591516340.db2.gz JEMQBQXRQVWTBU-LLVKDONJSA-N 1 0 249.379 3.664 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2(C)CC2)CCC1 ZINC000130758509 383836051 /nfs/dbraw/zinc/83/60/51/383836051.db2.gz WNFICTQKEOHEBT-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2(C)CC2)CCC1 ZINC000130758710 134424843 /nfs/dbraw/zinc/42/48/43/134424843.db2.gz WNFICTQKEOHEBT-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](CC)C2CC2)CCC1 ZINC000130759803 325085094 /nfs/dbraw/zinc/08/50/94/325085094.db2.gz XGSBPGFDFNDEIF-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H](CC)C2CC2)CCC1 ZINC000130759992 325085288 /nfs/dbraw/zinc/08/52/88/325085288.db2.gz XGSBPGFDFNDEIF-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccoc2)CCC1 ZINC000130760654 325085097 /nfs/dbraw/zinc/08/50/97/325085097.db2.gz VZYWNYOTPKZTBB-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccoc2)CCC1 ZINC000130760864 325083772 /nfs/dbraw/zinc/08/37/72/325083772.db2.gz VZYWNYOTPKZTBB-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccco2)CCC1 ZINC000130763771 358642487 /nfs/dbraw/zinc/64/24/87/358642487.db2.gz BTJHJWDRQAGCQN-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccco2)CCC1 ZINC000130763976 358642757 /nfs/dbraw/zinc/64/27/57/358642757.db2.gz BTJHJWDRQAGCQN-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cscn2)CCC1 ZINC000130764168 325085027 /nfs/dbraw/zinc/08/50/27/325085027.db2.gz ALDWUNQGJLYTIU-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cscn2)CCC1 ZINC000130764361 325085514 /nfs/dbraw/zinc/08/55/14/325085514.db2.gz ALDWUNQGJLYTIU-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CCCC1(C[NH2+]C(C2CC2)C2CC2)CCC1 ZINC000130765104 325085013 /nfs/dbraw/zinc/08/50/13/325085013.db2.gz BZZKQOSVPLZNNQ-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cncs2)CCC1 ZINC000130765330 358642513 /nfs/dbraw/zinc/64/25/13/358642513.db2.gz PUCQWMOQVWLXGJ-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cncs2)CCC1 ZINC000130765568 358642510 /nfs/dbraw/zinc/64/25/10/358642510.db2.gz PUCQWMOQVWLXGJ-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)CC2CCC2)CC1 ZINC000130775602 490453504 /nfs/dbraw/zinc/45/35/04/490453504.db2.gz CNXYXSRKYRSWBP-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H](C)CC2CCC2)CC1 ZINC000130775819 490453598 /nfs/dbraw/zinc/45/35/98/490453598.db2.gz CNXYXSRKYRSWBP-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000130776007 358643716 /nfs/dbraw/zinc/64/37/16/358643716.db2.gz OQPAMJWIGHAOGF-LBPRGKRZSA-N 1 0 221.344 3.819 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000130776204 358643775 /nfs/dbraw/zinc/64/37/75/358643775.db2.gz OQPAMJWIGHAOGF-GFCCVEGCSA-N 1 0 221.344 3.819 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000130777467 325086491 /nfs/dbraw/zinc/08/64/91/325086491.db2.gz KDGHRBGKTIRVPM-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000130777704 325086639 /nfs/dbraw/zinc/08/66/39/325086639.db2.gz KDGHRBGKTIRVPM-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccoc2)CC1 ZINC000130780189 325087162 /nfs/dbraw/zinc/08/71/62/325087162.db2.gz BCLKQNBSAHPPSH-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccoc2)CC1 ZINC000130780409 325087517 /nfs/dbraw/zinc/08/75/17/325087517.db2.gz BCLKQNBSAHPPSH-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000130785208 325087352 /nfs/dbraw/zinc/08/73/52/325087352.db2.gz KYGSAOAYMNUBSI-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cccs2)CC1 ZINC000130785413 325087655 /nfs/dbraw/zinc/08/76/55/325087655.db2.gz KYGSAOAYMNUBSI-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000130787886 325087856 /nfs/dbraw/zinc/08/78/56/325087856.db2.gz MXRLZEPROSOFOM-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000130788088 325088229 /nfs/dbraw/zinc/08/82/29/325088229.db2.gz MXRLZEPROSOFOM-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CCCC1(C[NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000130789026 325088202 /nfs/dbraw/zinc/08/82/02/325088202.db2.gz QLADXOALQZOTSR-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000130789229 325088246 /nfs/dbraw/zinc/08/82/46/325088246.db2.gz QLADXOALQZOTSR-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cncs2)cc1 ZINC000130796372 385284382 /nfs/dbraw/zinc/28/43/82/385284382.db2.gz OUJUGJBILWUBQB-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2cncs2)cc1 ZINC000130796610 385284606 /nfs/dbraw/zinc/28/46/06/385284606.db2.gz OUJUGJBILWUBQB-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccn(C)c2)cc1 ZINC000130802100 325090462 /nfs/dbraw/zinc/09/04/62/325090462.db2.gz RXPVOLXMXCVEOX-CQSZACIVSA-N 1 0 242.366 3.527 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccn(C)c2)cc1 ZINC000130802326 325090418 /nfs/dbraw/zinc/09/04/18/325090418.db2.gz RXPVOLXMXCVEOX-AWEZNQCLSA-N 1 0 242.366 3.527 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(C)cc2C)o1 ZINC000130802895 325090360 /nfs/dbraw/zinc/09/03/60/325090360.db2.gz IGFAHNRVGZDVLF-UHFFFAOYSA-N 1 0 243.350 3.749 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cccn2C)cc1 ZINC000130818455 325091516 /nfs/dbraw/zinc/09/15/16/325091516.db2.gz JXJCLWGLSZTLMS-CQSZACIVSA-N 1 0 242.366 3.527 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2cccn2C)cc1 ZINC000130818650 325091704 /nfs/dbraw/zinc/09/17/04/325091704.db2.gz JXJCLWGLSZTLMS-AWEZNQCLSA-N 1 0 242.366 3.527 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000130822151 385289251 /nfs/dbraw/zinc/28/92/51/385289251.db2.gz GAOYTWBDYZFIRF-OCCSQVGLSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000130822357 171346267 /nfs/dbraw/zinc/34/62/67/171346267.db2.gz GAOYTWBDYZFIRF-JSGCOSHPSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000130822579 385287237 /nfs/dbraw/zinc/28/72/37/385287237.db2.gz GAOYTWBDYZFIRF-TZMCWYRMSA-N 1 0 220.360 3.557 20 0 BHADRO COCc1ccc([C@H]2CCC[N@@H+]2CC=C(C)C)o1 ZINC000130822605 358648850 /nfs/dbraw/zinc/64/88/50/358648850.db2.gz MKYSEUGTDFXYMK-CQSZACIVSA-N 1 0 249.354 3.529 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000130822781 171347723 /nfs/dbraw/zinc/34/77/23/171347723.db2.gz GAOYTWBDYZFIRF-GXTWGEPZSA-N 1 0 220.360 3.557 20 0 BHADRO COCc1ccc([C@@H]2CCC[N@@H+]2CC=C(C)C)o1 ZINC000130822858 358649269 /nfs/dbraw/zinc/64/92/69/358649269.db2.gz MKYSEUGTDFXYMK-AWEZNQCLSA-N 1 0 249.354 3.529 20 0 BHADRO CC[C@H]([NH2+]Cc1c(C)cccc1C)C1CC1 ZINC000130832307 490455588 /nfs/dbraw/zinc/45/55/88/490455588.db2.gz KKAKELBUBJNQMB-HNNXBMFYSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(C)cccc1C)C1CC1 ZINC000130832508 490456202 /nfs/dbraw/zinc/45/62/02/490456202.db2.gz KKAKELBUBJNQMB-OAHLLOKOSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000130843868 325092940 /nfs/dbraw/zinc/09/29/40/325092940.db2.gz FLPBRFNPEWMBJE-CYBMUJFWSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCCC1(C)C ZINC000130844062 325092878 /nfs/dbraw/zinc/09/28/78/325092878.db2.gz FLPBRFNPEWMBJE-ZDUSSCGKSA-N 1 0 221.344 3.646 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1ccccc1 ZINC000130878887 325099694 /nfs/dbraw/zinc/09/96/94/325099694.db2.gz XXFWDNVVPQLBNL-AWEZNQCLSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1ccccc1 ZINC000130879106 325099179 /nfs/dbraw/zinc/09/91/79/325099179.db2.gz XXFWDNVVPQLBNL-CQSZACIVSA-N 1 0 235.371 3.544 20 0 BHADRO c1coc(C[NH+](Cc2ccco2)C2CCCC2)c1 ZINC000130894685 325100216 /nfs/dbraw/zinc/10/02/16/325100216.db2.gz XQQNRVJNEGIPRP-UHFFFAOYSA-N 1 0 245.322 3.817 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000130911924 325101927 /nfs/dbraw/zinc/10/19/27/325101927.db2.gz OLVXUIIYVIEZQX-CQSZACIVSA-N 1 0 249.398 3.886 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000130912151 325101900 /nfs/dbraw/zinc/10/19/00/325101900.db2.gz OLVXUIIYVIEZQX-AWEZNQCLSA-N 1 0 249.398 3.886 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccoc1 ZINC000130925403 566310799 /nfs/dbraw/zinc/31/07/99/566310799.db2.gz GCWCILZHXKHWOE-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccoc1 ZINC000130925635 566311014 /nfs/dbraw/zinc/31/10/14/566311014.db2.gz GCWCILZHXKHWOE-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccoc1 ZINC000130925872 566310876 /nfs/dbraw/zinc/31/08/76/566310876.db2.gz GCWCILZHXKHWOE-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccoc1 ZINC000130926109 490349687 /nfs/dbraw/zinc/34/96/87/490349687.db2.gz GCWCILZHXKHWOE-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCC1=CCCCC1 ZINC000130930741 325102504 /nfs/dbraw/zinc/10/25/04/325102504.db2.gz VECFCPGWLBPYAJ-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCC1=CCCCC1 ZINC000130930943 325102675 /nfs/dbraw/zinc/10/26/75/325102675.db2.gz VECFCPGWLBPYAJ-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C(C1CC1)C1CC1 ZINC000130932027 358653872 /nfs/dbraw/zinc/65/38/72/358653872.db2.gz DHUKSBSLRUUKTO-UHFFFAOYSA-N 1 0 241.334 3.711 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000130932861 167243469 /nfs/dbraw/zinc/24/34/69/167243469.db2.gz HHHFQGGTCSLFID-LBPRGKRZSA-N 1 0 247.338 3.508 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000130933050 167244383 /nfs/dbraw/zinc/24/43/83/167244383.db2.gz HHHFQGGTCSLFID-GFCCVEGCSA-N 1 0 247.338 3.508 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1cncc(F)c1 ZINC000130937199 385297717 /nfs/dbraw/zinc/29/77/17/385297717.db2.gz LFRLUZGKZCGURD-LBPRGKRZSA-N 1 0 248.345 3.762 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1cncc(F)c1 ZINC000130937407 175872683 /nfs/dbraw/zinc/87/26/83/175872683.db2.gz LFRLUZGKZCGURD-GFCCVEGCSA-N 1 0 248.345 3.762 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130940950 325103071 /nfs/dbraw/zinc/10/30/71/325103071.db2.gz YJONNFMANBWXQG-GFCCVEGCSA-N 1 0 231.339 3.957 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000130940999 325103118 /nfs/dbraw/zinc/10/31/18/325103118.db2.gz NLPOLDFNYNEHRH-JFGNBEQYSA-N 1 0 223.747 3.647 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130941159 325103112 /nfs/dbraw/zinc/10/31/12/325103112.db2.gz YJONNFMANBWXQG-LBPRGKRZSA-N 1 0 231.339 3.957 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000130941188 325103215 /nfs/dbraw/zinc/10/32/15/325103215.db2.gz NLPOLDFNYNEHRH-JBLDHEPKSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000130941382 325103369 /nfs/dbraw/zinc/10/33/69/325103369.db2.gz NLPOLDFNYNEHRH-SCVCMEIPSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000130941562 325103036 /nfs/dbraw/zinc/10/30/36/325103036.db2.gz NLPOLDFNYNEHRH-NHCYSSNCSA-N 1 0 223.747 3.647 20 0 BHADRO CCC[C@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000130943089 325103151 /nfs/dbraw/zinc/10/31/51/325103151.db2.gz NHOWQVLPCMALMC-HNNXBMFYSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000130943269 325103946 /nfs/dbraw/zinc/10/39/46/325103946.db2.gz NHOWQVLPCMALMC-OAHLLOKOSA-N 1 0 235.371 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000130951098 358654805 /nfs/dbraw/zinc/65/48/05/358654805.db2.gz VLZQQDYTTAYQAL-INIZCTEOSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000130951303 134625295 /nfs/dbraw/zinc/62/52/95/134625295.db2.gz VLZQQDYTTAYQAL-MRXNPFEDSA-N 1 0 249.398 3.788 20 0 BHADRO CC1([NH2+]Cc2coc3ccccc23)CCCC1 ZINC000130965416 325104790 /nfs/dbraw/zinc/10/47/90/325104790.db2.gz SRVRRNLRBKWBDV-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130965921 325104551 /nfs/dbraw/zinc/10/45/51/325104551.db2.gz VDTVAJFVYQRSOQ-VXGBXAGGSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130966111 325104486 /nfs/dbraw/zinc/10/44/86/325104486.db2.gz VDTVAJFVYQRSOQ-NWDGAFQWSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130966321 325104442 /nfs/dbraw/zinc/10/44/42/325104442.db2.gz VDTVAJFVYQRSOQ-NEPJUHHUSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130966508 325104461 /nfs/dbraw/zinc/10/44/61/325104461.db2.gz VDTVAJFVYQRSOQ-RYUDHWBXSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H]([NH2+]Cc1coc2ccccc12)C(C)C ZINC000130967151 325104896 /nfs/dbraw/zinc/10/48/96/325104896.db2.gz KZYZNCLHNMHJBK-AWEZNQCLSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H]([NH2+]Cc1coc2ccccc12)C(C)C ZINC000130967358 325104465 /nfs/dbraw/zinc/10/44/65/325104465.db2.gz KZYZNCLHNMHJBK-CQSZACIVSA-N 1 0 231.339 3.957 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000130973248 343182787 /nfs/dbraw/zinc/18/27/87/343182787.db2.gz LKRSGGKWCZTCFW-QWHCGFSZSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000130973499 343182443 /nfs/dbraw/zinc/18/24/43/343182443.db2.gz LKRSGGKWCZTCFW-CHWSQXEVSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000130975826 325105379 /nfs/dbraw/zinc/10/53/79/325105379.db2.gz WRPADVHIPRGJDI-QWHCGFSZSA-N 1 0 249.398 3.650 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000130976053 325105150 /nfs/dbraw/zinc/10/51/50/325105150.db2.gz WRPADVHIPRGJDI-CHWSQXEVSA-N 1 0 249.398 3.650 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C[C@H]1CC=CCC1 ZINC000130977026 325105247 /nfs/dbraw/zinc/10/52/47/325105247.db2.gz SVAGVVKOBUYQGR-ZDUSSCGKSA-N 1 0 241.334 3.879 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000130977221 325105237 /nfs/dbraw/zinc/10/52/37/325105237.db2.gz SVAGVVKOBUYQGR-CYBMUJFWSA-N 1 0 241.334 3.879 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000130986195 343182544 /nfs/dbraw/zinc/18/25/44/343182544.db2.gz HYHTUYHMOOYECY-NWDGAFQWSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000130986380 343182536 /nfs/dbraw/zinc/18/25/36/343182536.db2.gz HYHTUYHMOOYECY-VXGBXAGGSA-N 1 0 235.371 3.780 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1coc2ccccc12 ZINC000130992459 358656648 /nfs/dbraw/zinc/65/66/48/358656648.db2.gz PVTFGHKGRFKAOT-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1coc2ccccc12 ZINC000130992696 358656411 /nfs/dbraw/zinc/65/64/11/358656411.db2.gz PVTFGHKGRFKAOT-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000130994935 591539690 /nfs/dbraw/zinc/53/96/90/591539690.db2.gz JYFDEEVEIBOVAQ-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000130995357 591539492 /nfs/dbraw/zinc/53/94/92/591539492.db2.gz JYFDEEVEIBOVAQ-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000131000284 583991567 /nfs/dbraw/zinc/99/15/67/583991567.db2.gz WVKWVBNKXDXQFT-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000131000462 591540756 /nfs/dbraw/zinc/54/07/56/591540756.db2.gz WVKWVBNKXDXQFT-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000131000675 591540605 /nfs/dbraw/zinc/54/06/05/591540605.db2.gz WVKWVBNKXDXQFT-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000131000916 591541635 /nfs/dbraw/zinc/54/16/35/591541635.db2.gz WVKWVBNKXDXQFT-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000131006967 343182732 /nfs/dbraw/zinc/18/27/32/343182732.db2.gz PZHNPCOHXAJMGE-NWDGAFQWSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000131007167 343182551 /nfs/dbraw/zinc/18/25/51/343182551.db2.gz PZHNPCOHXAJMGE-VXGBXAGGSA-N 1 0 235.371 3.780 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CC=CCC1 ZINC000131011589 358656946 /nfs/dbraw/zinc/65/69/46/358656946.db2.gz AFMBWYOYAXZSQC-ZDUSSCGKSA-N 1 0 227.307 3.631 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC=CCC1 ZINC000131011826 136271789 /nfs/dbraw/zinc/27/17/89/136271789.db2.gz AFMBWYOYAXZSQC-CYBMUJFWSA-N 1 0 227.307 3.631 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(C)(C)C ZINC000131012498 343182673 /nfs/dbraw/zinc/18/26/73/343182673.db2.gz GYZFEDMMJWGRHD-WDEREUQCSA-N 1 0 249.354 3.501 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000131012687 343182712 /nfs/dbraw/zinc/18/27/12/343182712.db2.gz GYZFEDMMJWGRHD-GHMZBOCLSA-N 1 0 249.354 3.501 20 0 BHADRO c1ccc(CCCC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000131014627 490467624 /nfs/dbraw/zinc/46/76/24/490467624.db2.gz MCQDBGKROYIIPP-KRWDZBQOSA-N 1 0 243.394 3.955 20 0 BHADRO c1ccc(CCCC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000131014875 490468317 /nfs/dbraw/zinc/46/83/17/490468317.db2.gz MCQDBGKROYIIPP-QGZVFWFLSA-N 1 0 243.394 3.955 20 0 BHADRO Cc1ccc(C[NH2+]CCCCc2ccccc2)o1 ZINC000131015096 490468512 /nfs/dbraw/zinc/46/85/12/490468512.db2.gz HSCXUXGPFNYUHB-UHFFFAOYSA-N 1 0 243.350 3.701 20 0 BHADRO c1cc(C[NH2+]CCCCc2ccccc2)cs1 ZINC000131016181 490468368 /nfs/dbraw/zinc/46/83/68/490468368.db2.gz RSUQGLFTLYIWKK-UHFFFAOYSA-N 1 0 245.391 3.861 20 0 BHADRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000131020972 325107982 /nfs/dbraw/zinc/10/79/82/325107982.db2.gz UAUNQEWWBBUMGW-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000131021191 325108315 /nfs/dbraw/zinc/10/83/15/325108315.db2.gz UAUNQEWWBBUMGW-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000131021399 325108182 /nfs/dbraw/zinc/10/81/82/325108182.db2.gz UAUNQEWWBBUMGW-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000131021613 325107965 /nfs/dbraw/zinc/10/79/65/325107965.db2.gz UAUNQEWWBBUMGW-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccccc1Cl ZINC000131033437 490468736 /nfs/dbraw/zinc/46/87/36/490468736.db2.gz UIGUIFIZCWBCRI-JTQLQIEISA-N 1 0 221.731 3.709 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccccc1Cl ZINC000131033631 490468882 /nfs/dbraw/zinc/46/88/82/490468882.db2.gz UIGUIFIZCWBCRI-SNVBAGLBSA-N 1 0 221.731 3.709 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cccc(Cl)c1 ZINC000131033867 490468544 /nfs/dbraw/zinc/46/85/44/490468544.db2.gz UKHGBOMBHKLJLG-JTQLQIEISA-N 1 0 221.731 3.709 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cccc(Cl)c1 ZINC000131034104 490468393 /nfs/dbraw/zinc/46/83/93/490468393.db2.gz UKHGBOMBHKLJLG-SNVBAGLBSA-N 1 0 221.731 3.709 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000131039287 325110356 /nfs/dbraw/zinc/11/03/56/325110356.db2.gz YMAHCTKFIAKMQR-STQMWFEESA-N 1 0 219.328 3.629 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000131039429 325110443 /nfs/dbraw/zinc/11/04/43/325110443.db2.gz YMAHCTKFIAKMQR-OLZOCXBDSA-N 1 0 219.328 3.629 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC=CC2)c1 ZINC000131040026 490468405 /nfs/dbraw/zinc/46/84/05/490468405.db2.gz MQCLQGIKJCXTGV-CYBMUJFWSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2CC=CC2)c1 ZINC000131040196 490468806 /nfs/dbraw/zinc/46/88/06/490468806.db2.gz MQCLQGIKJCXTGV-ZDUSSCGKSA-N 1 0 215.340 3.673 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1ccc(F)cc1 ZINC000131040403 490468874 /nfs/dbraw/zinc/46/88/74/490468874.db2.gz FCRPNZMLRVFFOH-AWEZNQCLSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1ccc(F)cc1 ZINC000131040654 490468418 /nfs/dbraw/zinc/46/84/18/490468418.db2.gz FCRPNZMLRVFFOH-CQSZACIVSA-N 1 0 219.303 3.585 20 0 BHADRO CCSCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000131048525 325110391 /nfs/dbraw/zinc/11/03/91/325110391.db2.gz LUIVBALDLXNPPT-HUUCEWRRSA-N 1 0 249.423 3.665 20 0 BHADRO CCSCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000131048748 325111060 /nfs/dbraw/zinc/11/10/60/325111060.db2.gz LUIVBALDLXNPPT-CABCVRRESA-N 1 0 249.423 3.665 20 0 BHADRO CCSCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000131048941 325111132 /nfs/dbraw/zinc/11/11/32/325111132.db2.gz LUIVBALDLXNPPT-LSDHHAIUSA-N 1 0 249.423 3.665 20 0 BHADRO CCSCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000131049139 325110701 /nfs/dbraw/zinc/11/07/01/325110701.db2.gz LUIVBALDLXNPPT-GJZGRUSLSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc(F)c(Cl)c1 ZINC000131051643 490470171 /nfs/dbraw/zinc/47/01/71/490470171.db2.gz UVFKOXSGYOMFCG-VIFPVBQESA-N 1 0 239.721 3.848 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(F)c(Cl)c1 ZINC000131051865 490469785 /nfs/dbraw/zinc/46/97/85/490469785.db2.gz UVFKOXSGYOMFCG-SECBINFHSA-N 1 0 239.721 3.848 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000131054142 325111175 /nfs/dbraw/zinc/11/11/75/325111175.db2.gz JOVBUEQGRNOWJR-WKPIXPDZSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000131054583 325111191 /nfs/dbraw/zinc/11/11/91/325111191.db2.gz JOVBUEQGRNOWJR-VCTAVGKDSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc(Cl)cc1 ZINC000131054707 490471939 /nfs/dbraw/zinc/47/19/39/490471939.db2.gz HWTLORKXKJOAOC-JTQLQIEISA-N 1 0 221.731 3.709 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(Cl)cc1 ZINC000131054894 490471956 /nfs/dbraw/zinc/47/19/56/490471956.db2.gz HWTLORKXKJOAOC-SNVBAGLBSA-N 1 0 221.731 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)s1 ZINC000131057940 385304896 /nfs/dbraw/zinc/30/48/96/385304896.db2.gz AKEJOLKTFNPDIK-NSHDSACASA-N 1 0 235.352 3.843 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)s1 ZINC000131058171 385304366 /nfs/dbraw/zinc/30/43/66/385304366.db2.gz AKEJOLKTFNPDIK-LLVKDONJSA-N 1 0 235.352 3.843 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000131066474 325112497 /nfs/dbraw/zinc/11/24/97/325112497.db2.gz SDAPCAOLUFCRLZ-JXQTWKCFSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000131066673 325112387 /nfs/dbraw/zinc/11/23/87/325112387.db2.gz SDAPCAOLUFCRLZ-RUXDESIVSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)C1CCCCC1 ZINC000131069330 325112591 /nfs/dbraw/zinc/11/25/91/325112591.db2.gz MLZFDRCQNAWJRE-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)C1CCCCC1 ZINC000131069550 325112510 /nfs/dbraw/zinc/11/25/10/325112510.db2.gz MLZFDRCQNAWJRE-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1cccs1 ZINC000131070210 385068751 /nfs/dbraw/zinc/06/87/51/385068751.db2.gz ZUXJTFXHFGGXEW-QMMMGPOBSA-N 1 0 237.290 3.741 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cccs1 ZINC000131070430 385070697 /nfs/dbraw/zinc/07/06/97/385070697.db2.gz ZUXJTFXHFGGXEW-MRVPVSSYSA-N 1 0 237.290 3.741 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000131071986 325112525 /nfs/dbraw/zinc/11/25/25/325112525.db2.gz XFLHBIOERCGHTA-QMTHXVAHSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000131072204 325112457 /nfs/dbraw/zinc/11/24/57/325112457.db2.gz XFLHBIOERCGHTA-IINYFYTJSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000131072362 325112584 /nfs/dbraw/zinc/11/25/84/325112584.db2.gz XFLHBIOERCGHTA-YGRLFVJLSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000131072563 325112604 /nfs/dbraw/zinc/11/26/04/325112604.db2.gz XFLHBIOERCGHTA-HZMBPMFUSA-N 1 0 221.319 3.591 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)ccc1F ZINC000131078744 325113005 /nfs/dbraw/zinc/11/30/05/325113005.db2.gz UYGYGTGRJCYOET-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)ccc1F ZINC000131078968 325113268 /nfs/dbraw/zinc/11/32/68/325113268.db2.gz UYGYGTGRJCYOET-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000131094511 325114766 /nfs/dbraw/zinc/11/47/66/325114766.db2.gz JNXIXQHBSHWGNR-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000131094735 325114333 /nfs/dbraw/zinc/11/43/33/325114333.db2.gz JNXIXQHBSHWGNR-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000131095470 591552594 /nfs/dbraw/zinc/55/25/94/591552594.db2.gz GHGRWWNJSWQRQU-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000131095693 591552434 /nfs/dbraw/zinc/55/24/34/591552434.db2.gz GHGRWWNJSWQRQU-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000131095855 591552514 /nfs/dbraw/zinc/55/25/14/591552514.db2.gz GHGRWWNJSWQRQU-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000131096056 591552053 /nfs/dbraw/zinc/55/20/53/591552053.db2.gz GHGRWWNJSWQRQU-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000131099737 358659633 /nfs/dbraw/zinc/65/96/33/358659633.db2.gz HQKDPSSCVGBJPW-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000131099942 358660026 /nfs/dbraw/zinc/66/00/26/358660026.db2.gz HQKDPSSCVGBJPW-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000131100155 134626573 /nfs/dbraw/zinc/62/65/73/134626573.db2.gz HQKDPSSCVGBJPW-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000131100346 358660514 /nfs/dbraw/zinc/66/05/14/358660514.db2.gz HQKDPSSCVGBJPW-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cncc(C)c2)c1 ZINC000131102563 325116162 /nfs/dbraw/zinc/11/61/62/325116162.db2.gz UVULMJYBLHNCPU-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cncc(C)c2)c1 ZINC000131102774 325115856 /nfs/dbraw/zinc/11/58/56/325115856.db2.gz UVULMJYBLHNCPU-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000131106742 385307598 /nfs/dbraw/zinc/30/75/98/385307598.db2.gz XCNXLBFQNKZNKZ-NSHDSACASA-N 1 0 235.352 3.843 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000131106964 385307507 /nfs/dbraw/zinc/30/75/07/385307507.db2.gz XCNXLBFQNKZNKZ-LLVKDONJSA-N 1 0 235.352 3.843 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131118263 491133385 /nfs/dbraw/zinc/13/33/85/491133385.db2.gz KKGTVQYIBWCZSC-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131118440 491133390 /nfs/dbraw/zinc/13/33/90/491133390.db2.gz KKGTVQYIBWCZSC-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc(Cl)c1F ZINC000131118716 325118655 /nfs/dbraw/zinc/11/86/55/325118655.db2.gz LWRIVSUJUITAQQ-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H]([NH2+]CC1CC1)c1ccc(OC)cc1 ZINC000131119250 358660905 /nfs/dbraw/zinc/66/09/05/358660905.db2.gz CGIQXQRVOXBMAE-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC1)c1ccc(OC)cc1 ZINC000131119460 358660506 /nfs/dbraw/zinc/66/05/06/358660506.db2.gz CGIQXQRVOXBMAE-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000131119806 385310512 /nfs/dbraw/zinc/31/05/12/385310512.db2.gz MFCLOSFLQULCMX-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000131119998 345293450 /nfs/dbraw/zinc/29/34/50/345293450.db2.gz MFCLOSFLQULCMX-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+]CC1CCCC1 ZINC000131120879 325119463 /nfs/dbraw/zinc/11/94/63/325119463.db2.gz ALDNFMCESBIOMF-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000131124132 385311358 /nfs/dbraw/zinc/31/13/58/385311358.db2.gz QRGLCBQFFBBTDI-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000131124215 490619125 /nfs/dbraw/zinc/61/91/25/490619125.db2.gz JAPAOIDNSZMZLE-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000131124349 385309678 /nfs/dbraw/zinc/30/96/78/385309678.db2.gz QRGLCBQFFBBTDI-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000131124419 490618695 /nfs/dbraw/zinc/61/86/95/490618695.db2.gz JAPAOIDNSZMZLE-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC2CC2)cc1F ZINC000131124689 325120207 /nfs/dbraw/zinc/12/02/07/325120207.db2.gz HBKIASCBAFINJD-VIFPVBQESA-N 1 0 239.359 3.608 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC2CC2)cc1F ZINC000131124899 325120054 /nfs/dbraw/zinc/12/00/54/325120054.db2.gz HBKIASCBAFINJD-SECBINFHSA-N 1 0 239.359 3.608 20 0 BHADRO CC1([NH2+]Cc2cccc(Cl)c2F)CCCC1 ZINC000131126880 325120070 /nfs/dbraw/zinc/12/00/70/325120070.db2.gz ZOKVOZVPICBAQS-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000131127564 591557342 /nfs/dbraw/zinc/55/73/42/591557342.db2.gz FPUSPNZGZKLXRV-DOMZBBRYSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000131127749 591556645 /nfs/dbraw/zinc/55/66/45/591556645.db2.gz FPUSPNZGZKLXRV-WFASDCNBSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000131127962 591557214 /nfs/dbraw/zinc/55/72/14/591557214.db2.gz FPUSPNZGZKLXRV-IUODEOHRSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000131128172 591557384 /nfs/dbraw/zinc/55/73/84/591557384.db2.gz FPUSPNZGZKLXRV-SWLSCSKDSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1F ZINC000131132148 325120783 /nfs/dbraw/zinc/12/07/83/325120783.db2.gz IIJUFZYUOXZOOC-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1F ZINC000131132359 325120995 /nfs/dbraw/zinc/12/09/95/325120995.db2.gz IIJUFZYUOXZOOC-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC1)CCCO2 ZINC000131135461 358662373 /nfs/dbraw/zinc/66/23/73/358662373.db2.gz JEFGNGXADGAFIE-HNNXBMFYSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC1)CCCO2 ZINC000131135679 134627044 /nfs/dbraw/zinc/62/70/44/134627044.db2.gz JEFGNGXADGAFIE-OAHLLOKOSA-N 1 0 245.366 3.517 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+]CCCC1CC1 ZINC000131136351 325120943 /nfs/dbraw/zinc/12/09/43/325120943.db2.gz CTAVUTBSVRGIDS-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)Cc1cccs1 ZINC000131136498 176032150 /nfs/dbraw/zinc/03/21/50/176032150.db2.gz OLXIPEVGQOWCDL-JTQLQIEISA-N 1 0 221.325 3.534 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000131136523 325120917 /nfs/dbraw/zinc/12/09/17/325120917.db2.gz HWXXPGLHORNYFT-LLVKDONJSA-N 1 0 237.309 3.841 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)Cc1cccs1 ZINC000131136695 177048149 /nfs/dbraw/zinc/04/81/49/177048149.db2.gz OLXIPEVGQOWCDL-SNVBAGLBSA-N 1 0 221.325 3.534 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000131136696 325120657 /nfs/dbraw/zinc/12/06/57/325120657.db2.gz HWXXPGLHORNYFT-NSHDSACASA-N 1 0 237.309 3.841 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+][C@H]1CC=CCC1 ZINC000131136927 323012499 /nfs/dbraw/zinc/01/24/99/323012499.db2.gz YLOSZRILPXNITO-NSHDSACASA-N 1 0 239.721 3.677 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000131137124 325120925 /nfs/dbraw/zinc/12/09/25/325120925.db2.gz YLOSZRILPXNITO-LLVKDONJSA-N 1 0 239.721 3.677 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccsc1 ZINC000131137421 176032206 /nfs/dbraw/zinc/03/22/06/176032206.db2.gz PGXZLHZCZGWHLD-JTQLQIEISA-N 1 0 221.325 3.534 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)Cc1ccsc1 ZINC000131137632 177048005 /nfs/dbraw/zinc/04/80/05/177048005.db2.gz PGXZLHZCZGWHLD-SNVBAGLBSA-N 1 0 221.325 3.534 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1F ZINC000131137871 325121046 /nfs/dbraw/zinc/12/10/46/325121046.db2.gz DGFIAXKCXOFNBN-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1F ZINC000131138106 325120826 /nfs/dbraw/zinc/12/08/26/325120826.db2.gz DGFIAXKCXOFNBN-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CC1)CCCO2 ZINC000131143378 358662386 /nfs/dbraw/zinc/66/23/86/358662386.db2.gz AIDKWPQUQCGGFU-OAHLLOKOSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CC1)CCCO2 ZINC000131143576 358662603 /nfs/dbraw/zinc/66/26/03/358662603.db2.gz AIDKWPQUQCGGFU-HNNXBMFYSA-N 1 0 245.366 3.517 20 0 BHADRO CCC1([NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC000131143578 325121696 /nfs/dbraw/zinc/12/16/96/325121696.db2.gz VKIFBZOIWADKNY-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cccnc2)CCC1 ZINC000131155650 385074228 /nfs/dbraw/zinc/07/42/28/385074228.db2.gz LSEVBNWSMSCFCU-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cccnc2)CCC1 ZINC000131155811 385075340 /nfs/dbraw/zinc/07/53/40/385075340.db2.gz LSEVBNWSMSCFCU-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO COCc1ccc([C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC000131167377 385313935 /nfs/dbraw/zinc/31/39/35/385313935.db2.gz PGXBJPDZTOADFL-AWEZNQCLSA-N 1 0 249.354 3.506 20 0 BHADRO COCc1ccc([C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC000131167581 385314928 /nfs/dbraw/zinc/31/49/28/385314928.db2.gz PGXBJPDZTOADFL-CQSZACIVSA-N 1 0 249.354 3.506 20 0 BHADRO C1=CCC([NH2+]Cc2csc3ccccc23)C1 ZINC000131188778 490624027 /nfs/dbraw/zinc/62/40/27/490624027.db2.gz RCROUVTZVBDEBB-UHFFFAOYSA-N 1 0 229.348 3.710 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCSCC2)cc1 ZINC000131191980 325124385 /nfs/dbraw/zinc/12/43/85/325124385.db2.gz VJSHCTUUWLMTSE-CYBMUJFWSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCSCC2)cc1 ZINC000131192130 325124333 /nfs/dbraw/zinc/12/43/33/325124333.db2.gz VJSHCTUUWLMTSE-ZDUSSCGKSA-N 1 0 249.423 3.789 20 0 BHADRO Clc1ccc(C[NH2+]C2CC=CC2)cc1Cl ZINC000131194220 490624537 /nfs/dbraw/zinc/62/45/37/490624537.db2.gz ATZJJZLQVSVKCG-UHFFFAOYSA-N 1 0 242.149 3.802 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccncc2)CCC1 ZINC000131196661 385081410 /nfs/dbraw/zinc/08/14/10/385081410.db2.gz FVMJYDOHGFASBN-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccncc2)CCC1 ZINC000131196841 385082854 /nfs/dbraw/zinc/08/28/54/385082854.db2.gz FVMJYDOHGFASBN-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO Clc1ccc(C[NH2+]C2CC=CC2)c(Cl)c1 ZINC000131198426 490623779 /nfs/dbraw/zinc/62/37/79/490623779.db2.gz KOTPECUOXRCRHD-UHFFFAOYSA-N 1 0 242.149 3.802 20 0 BHADRO Clc1cccc(C[NH2+]C2CC=CC2)c1Cl ZINC000131198629 490623967 /nfs/dbraw/zinc/62/39/67/490623967.db2.gz RDHVAFHATAHOLQ-UHFFFAOYSA-N 1 0 242.149 3.802 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+]C2CC=CC2)c1 ZINC000131199509 490623999 /nfs/dbraw/zinc/62/39/99/490623999.db2.gz NHBPRFLNDCPURG-UHFFFAOYSA-N 1 0 242.149 3.802 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000131201358 490623726 /nfs/dbraw/zinc/62/37/26/490623726.db2.gz GGCTVQATGDWASL-UHFFFAOYSA-N 1 0 215.340 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000131214944 325125934 /nfs/dbraw/zinc/12/59/34/325125934.db2.gz JTQZXVZWEUPPSO-BFVZDQMLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000131215350 325126228 /nfs/dbraw/zinc/12/62/28/325126228.db2.gz JTQZXVZWEUPPSO-ISTVAULSSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000131228355 490628115 /nfs/dbraw/zinc/62/81/15/490628115.db2.gz GTIYXSXXTVTKBD-VHSXEESVSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000131228591 490628587 /nfs/dbraw/zinc/62/85/87/490628587.db2.gz GTIYXSXXTVTKBD-UWVGGRQHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000131228800 490628804 /nfs/dbraw/zinc/62/88/04/490628804.db2.gz GTIYXSXXTVTKBD-NXEZZACHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000131229001 490628479 /nfs/dbraw/zinc/62/84/79/490628479.db2.gz GTIYXSXXTVTKBD-ZJUUUORDSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCCC(F)(F)F)o1 ZINC000131238113 385322009 /nfs/dbraw/zinc/32/20/09/385322009.db2.gz KOZVWEINCLEYII-UHFFFAOYSA-N 1 0 249.276 3.752 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)Cc1ccccc1 ZINC000131244557 385321163 /nfs/dbraw/zinc/32/11/63/385321163.db2.gz LXESJDMAVXRVCB-UHFFFAOYSA-N 1 0 245.288 3.851 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000131245893 325128810 /nfs/dbraw/zinc/12/88/10/325128810.db2.gz OSVWAYMPYOFDDP-LLVKDONJSA-N 1 0 237.309 3.984 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000131246129 325128692 /nfs/dbraw/zinc/12/86/92/325128692.db2.gz OSVWAYMPYOFDDP-NSHDSACASA-N 1 0 237.309 3.984 20 0 BHADRO COc1ccc(CCC[N@H+](C)C2CCCC2)cc1 ZINC000131248024 325128820 /nfs/dbraw/zinc/12/88/20/325128820.db2.gz UFDFPTQSLDFWGY-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)C)c(C)s1 ZINC000131249253 325129694 /nfs/dbraw/zinc/12/96/94/325129694.db2.gz FVIOHTPJSUMFJV-UHFFFAOYSA-N 1 0 225.401 3.891 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C2CC2)c(C)s1 ZINC000131251729 490625934 /nfs/dbraw/zinc/62/59/34/490625934.db2.gz WGFCYSDILGZYPG-SECBINFHSA-N 1 0 223.385 3.501 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C2CC2)c(C)s1 ZINC000131251963 490625363 /nfs/dbraw/zinc/62/53/63/490625363.db2.gz WGFCYSDILGZYPG-VIFPVBQESA-N 1 0 223.385 3.501 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C1CCCCC1 ZINC000131253966 325130523 /nfs/dbraw/zinc/13/05/23/325130523.db2.gz WXQJANHMLJDKIE-UHFFFAOYSA-N 1 0 237.309 3.984 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)C(C)(C)C ZINC000131254595 325130177 /nfs/dbraw/zinc/13/01/77/325130177.db2.gz TUYXEFWKIXOVSX-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)C(C)(C)C ZINC000131254852 325130267 /nfs/dbraw/zinc/13/02/67/325130267.db2.gz TUYXEFWKIXOVSX-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)C1CCCC1 ZINC000131255119 325130599 /nfs/dbraw/zinc/13/05/99/325130599.db2.gz XUNWMDNJVMCSDB-LBPRGKRZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CCCC1 ZINC000131255339 325130207 /nfs/dbraw/zinc/13/02/07/325130207.db2.gz XUNWMDNJVMCSDB-GFCCVEGCSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(CC)o1 ZINC000131255887 325130564 /nfs/dbraw/zinc/13/05/64/325130564.db2.gz IQENLHYVXWNHFI-UHFFFAOYSA-N 1 0 209.333 3.510 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000131256309 176233792 /nfs/dbraw/zinc/23/37/92/176233792.db2.gz FHCSPNNIZUJBJR-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000131256545 177205097 /nfs/dbraw/zinc/20/50/97/177205097.db2.gz FHCSPNNIZUJBJR-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000131256742 176213364 /nfs/dbraw/zinc/21/33/64/176213364.db2.gz FHCSPNNIZUJBJR-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000131256960 177193643 /nfs/dbraw/zinc/19/36/43/177193643.db2.gz FHCSPNNIZUJBJR-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000131257240 325130626 /nfs/dbraw/zinc/13/06/26/325130626.db2.gz GDZNZPIAIIILNI-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000131257408 325130254 /nfs/dbraw/zinc/13/02/54/325130254.db2.gz GDZNZPIAIIILNI-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000131257621 325130679 /nfs/dbraw/zinc/13/06/79/325130679.db2.gz GDZNZPIAIIILNI-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000131257857 325130377 /nfs/dbraw/zinc/13/03/77/325130377.db2.gz GDZNZPIAIIILNI-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccoc1 ZINC000131258107 325130631 /nfs/dbraw/zinc/13/06/31/325130631.db2.gz SJOWWFPYGUCQLZ-NSHDSACASA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccoc1 ZINC000131258339 325130233 /nfs/dbraw/zinc/13/02/33/325130233.db2.gz SJOWWFPYGUCQLZ-LLVKDONJSA-N 1 0 219.328 3.511 20 0 BHADRO CC[C@H]([NH2+]CC1(C2CC2)CCC1)C(C)C ZINC000131261087 325131722 /nfs/dbraw/zinc/13/17/22/325131722.db2.gz BRVUNKNYRFHPST-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1(C2CC2)CCC1)C(C)C ZINC000131261303 325131895 /nfs/dbraw/zinc/13/18/95/325131895.db2.gz BRVUNKNYRFHPST-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CSCCCC[NH2+]Cc1cc(C)sc1C ZINC000131261518 325131853 /nfs/dbraw/zinc/13/18/53/325131853.db2.gz JNERGTPUFOVRJH-UHFFFAOYSA-N 1 0 243.441 3.598 20 0 BHADRO Cc1cc(C[NH2+]CCCC2CC2)c(C)s1 ZINC000131262003 325132087 /nfs/dbraw/zinc/13/20/87/325132087.db2.gz LHIUOQYSBXFJKF-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000131263254 591579843 /nfs/dbraw/zinc/57/98/43/591579843.db2.gz IMXXFFIPKYNRPJ-VIFPVBQESA-N 1 0 243.441 3.596 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000131263470 591579921 /nfs/dbraw/zinc/57/99/21/591579921.db2.gz IMXXFFIPKYNRPJ-SECBINFHSA-N 1 0 243.441 3.596 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000131265725 325132065 /nfs/dbraw/zinc/13/20/65/325132065.db2.gz GTZLADGWVFVFJB-AWEZNQCLSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000131265921 325131918 /nfs/dbraw/zinc/13/19/18/325131918.db2.gz GTZLADGWVFVFJB-CQSZACIVSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000131266167 325132164 /nfs/dbraw/zinc/13/21/64/325132164.db2.gz RNEHEWFNKUXTSQ-OCCSQVGLSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000131266358 325131902 /nfs/dbraw/zinc/13/19/02/325131902.db2.gz RNEHEWFNKUXTSQ-JSGCOSHPSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000131266581 325132101 /nfs/dbraw/zinc/13/21/01/325132101.db2.gz RNEHEWFNKUXTSQ-TZMCWYRMSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000131266799 325131912 /nfs/dbraw/zinc/13/19/12/325131912.db2.gz RNEHEWFNKUXTSQ-GXTWGEPZSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000131268388 582717432 /nfs/dbraw/zinc/71/74/32/582717432.db2.gz LRIAWJZPGVPSTP-NEPJUHHUSA-N 1 0 231.449 3.931 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000131268571 591579767 /nfs/dbraw/zinc/57/97/67/591579767.db2.gz LRIAWJZPGVPSTP-RYUDHWBXSA-N 1 0 231.449 3.931 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000131268788 591575274 /nfs/dbraw/zinc/57/52/74/591575274.db2.gz LRIAWJZPGVPSTP-VXGBXAGGSA-N 1 0 231.449 3.931 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000131268994 591580228 /nfs/dbraw/zinc/58/02/28/591580228.db2.gz LRIAWJZPGVPSTP-NWDGAFQWSA-N 1 0 231.449 3.931 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000131270301 325133465 /nfs/dbraw/zinc/13/34/65/325133465.db2.gz GCNLMOZNWZNHNY-NWDGAFQWSA-N 1 0 223.360 3.927 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000131270490 323012804 /nfs/dbraw/zinc/01/28/04/323012804.db2.gz GCNLMOZNWZNHNY-RYUDHWBXSA-N 1 0 223.360 3.927 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000131270666 323012713 /nfs/dbraw/zinc/01/27/13/323012713.db2.gz GCNLMOZNWZNHNY-VXGBXAGGSA-N 1 0 223.360 3.927 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000131270864 325133279 /nfs/dbraw/zinc/13/32/79/325133279.db2.gz GCNLMOZNWZNHNY-NEPJUHHUSA-N 1 0 223.360 3.927 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCC(F)(F)F)C1 ZINC000131271194 325133501 /nfs/dbraw/zinc/13/35/01/325133501.db2.gz IJZJOBUIGQYOAU-PHIMTYICSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCCCC(F)(F)F)C1 ZINC000131271397 325131775 /nfs/dbraw/zinc/13/17/75/325131775.db2.gz IJZJOBUIGQYOAU-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCC(F)(F)F)C1 ZINC000131271613 325133576 /nfs/dbraw/zinc/13/35/76/325133576.db2.gz IJZJOBUIGQYOAU-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000131271683 591581747 /nfs/dbraw/zinc/58/17/47/591581747.db2.gz KGQCNWQARQNAGP-FPMFFAJLSA-N 1 0 247.382 3.843 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000131271888 385324613 /nfs/dbraw/zinc/32/46/13/385324613.db2.gz ZYMVFLSSIZKMKU-MNOVXSKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000131272086 191099898 /nfs/dbraw/zinc/09/98/98/191099898.db2.gz ZYMVFLSSIZKMKU-QWRGUYRKSA-N 1 0 240.778 3.820 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000131272113 591581243 /nfs/dbraw/zinc/58/12/43/591581243.db2.gz KGQCNWQARQNAGP-UBHSHLNASA-N 1 0 247.382 3.843 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000131272288 191100046 /nfs/dbraw/zinc/10/00/46/191100046.db2.gz ZYMVFLSSIZKMKU-GHMZBOCLSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000131272484 385323334 /nfs/dbraw/zinc/32/33/34/385323334.db2.gz ZYMVFLSSIZKMKU-WDEREUQCSA-N 1 0 240.778 3.820 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cc(C)sc1C ZINC000131272966 591581565 /nfs/dbraw/zinc/58/15/65/591581565.db2.gz DWOUKHOJXGVQRK-UHFFFAOYSA-N 1 0 243.441 3.596 20 0 BHADRO CCC1([NH2+]Cc2cc(C)sc2C)CCC1 ZINC000131273910 325133407 /nfs/dbraw/zinc/13/34/07/325133407.db2.gz RSKQHONEYODNKQ-UHFFFAOYSA-N 1 0 223.385 3.787 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000131279209 591581553 /nfs/dbraw/zinc/58/15/53/591581553.db2.gz IDONZNXJGWTUTN-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000131279399 591581755 /nfs/dbraw/zinc/58/17/55/591581755.db2.gz IDONZNXJGWTUTN-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000131279636 591581485 /nfs/dbraw/zinc/58/14/85/591581485.db2.gz IDONZNXJGWTUTN-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000131279855 591581191 /nfs/dbraw/zinc/58/11/91/591581191.db2.gz IDONZNXJGWTUTN-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)C1CCCCC1 ZINC000131280533 325133262 /nfs/dbraw/zinc/13/32/62/325133262.db2.gz JCFKDUOFFBIIMN-YPMHNXCESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)C1CCCCC1 ZINC000131280752 323175162 /nfs/dbraw/zinc/17/51/62/323175162.db2.gz JCFKDUOFFBIIMN-DGCLKSJQSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)C1CCCCC1 ZINC000131280935 325133574 /nfs/dbraw/zinc/13/35/74/325133574.db2.gz JCFKDUOFFBIIMN-AAEUAGOBSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)C1CCCCC1 ZINC000131281176 325134450 /nfs/dbraw/zinc/13/44/50/325134450.db2.gz JCFKDUOFFBIIMN-WCQYABFASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)SC ZINC000131295192 191010482 /nfs/dbraw/zinc/01/04/82/191010482.db2.gz WTXSMCAGHZAVLC-LPWJVIDDSA-N 1 0 229.433 3.542 20 0 BHADRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CC ZINC000131302618 325135475 /nfs/dbraw/zinc/13/54/75/325135475.db2.gz MXIBGHAUXKPNRI-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)CC ZINC000131302808 325135877 /nfs/dbraw/zinc/13/58/77/325135877.db2.gz MXIBGHAUXKPNRI-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000131305074 325135942 /nfs/dbraw/zinc/13/59/42/325135942.db2.gz ICBMANVHPDWFPC-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000131305294 325135450 /nfs/dbraw/zinc/13/54/50/325135450.db2.gz ICBMANVHPDWFPC-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000131307222 325135687 /nfs/dbraw/zinc/13/56/87/325135687.db2.gz NOHFFNZQAUUGAQ-SNVBAGLBSA-N 1 0 223.282 3.593 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000131307445 325135804 /nfs/dbraw/zinc/13/58/04/325135804.db2.gz NOHFFNZQAUUGAQ-JTQLQIEISA-N 1 0 223.282 3.593 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131307923 191011558 /nfs/dbraw/zinc/01/15/58/191011558.db2.gz GGYBQWVDTVCOOG-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131308114 191011985 /nfs/dbraw/zinc/01/19/85/191011985.db2.gz GGYBQWVDTVCOOG-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(C2CC2)CC1 ZINC000131308954 325136473 /nfs/dbraw/zinc/13/64/73/325136473.db2.gz UHBLQMVWEXZOKD-RYUDHWBXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(C2CC2)CC1 ZINC000131309216 325136669 /nfs/dbraw/zinc/13/66/69/325136669.db2.gz UHBLQMVWEXZOKD-VXGBXAGGSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131311813 325136546 /nfs/dbraw/zinc/13/65/46/325136546.db2.gz BQOLNQQDCPGPRU-ZDUSSCGKSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131312008 325136308 /nfs/dbraw/zinc/13/63/08/325136308.db2.gz BQOLNQQDCPGPRU-CYBMUJFWSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)C1CCCCC1 ZINC000131315555 325136687 /nfs/dbraw/zinc/13/66/87/325136687.db2.gz AVGUGMNSHGWMTM-LBPRGKRZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)C1CCCCC1 ZINC000131315753 325136257 /nfs/dbraw/zinc/13/62/57/325136257.db2.gz AVGUGMNSHGWMTM-GFCCVEGCSA-N 1 0 221.388 3.735 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131316523 591590100 /nfs/dbraw/zinc/59/01/00/591590100.db2.gz GTYAEPWOILGFQD-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000131316721 591589930 /nfs/dbraw/zinc/58/99/30/591589930.db2.gz GTYAEPWOILGFQD-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C([NH2+]C1CCCCCCC1)C1(C2CC2)CC1 ZINC000131318658 591589356 /nfs/dbraw/zinc/58/93/56/591589356.db2.gz DXHYWXJYDUJQNJ-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO Cc1cc(C[NH2+]CCC2CCC2)c(C)s1 ZINC000131319437 591589750 /nfs/dbraw/zinc/58/97/50/591589750.db2.gz NPRVYLBLTPYJEQ-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000131335074 591596491 /nfs/dbraw/zinc/59/64/91/591596491.db2.gz DMGATHFRQUIWNL-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000131335306 591596327 /nfs/dbraw/zinc/59/63/27/591596327.db2.gz DMGATHFRQUIWNL-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CCCCC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000131335505 591595671 /nfs/dbraw/zinc/59/56/71/591595671.db2.gz DMGATHFRQUIWNL-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000131335686 591595958 /nfs/dbraw/zinc/59/59/58/591595958.db2.gz DMGATHFRQUIWNL-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)CSc1ccccc1 ZINC000131351012 191013640 /nfs/dbraw/zinc/01/36/40/191013640.db2.gz NSQDMOTXMIWGER-OLZOCXBDSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)CSc1ccccc1 ZINC000131351207 191012857 /nfs/dbraw/zinc/01/28/57/191012857.db2.gz NSQDMOTXMIWGER-STQMWFEESA-N 1 0 237.412 3.945 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)cc(C)c1O ZINC000131351231 325140397 /nfs/dbraw/zinc/14/03/97/325140397.db2.gz HFRFGPUXIYZFMP-CQSZACIVSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC(C)(C)C2)cc(C)c1O ZINC000131351398 325140483 /nfs/dbraw/zinc/14/04/83/325140483.db2.gz HFRFGPUXIYZFMP-AWEZNQCLSA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)CSc1ccccc1 ZINC000131351441 191012924 /nfs/dbraw/zinc/01/29/24/191012924.db2.gz NSQDMOTXMIWGER-CHWSQXEVSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)CC ZINC000131351639 191012995 /nfs/dbraw/zinc/01/29/95/191012995.db2.gz NSQDMOTXMIWGER-QWHCGFSZSA-N 1 0 237.412 3.945 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000131353893 191013153 /nfs/dbraw/zinc/01/31/53/191013153.db2.gz VDJPJXRXYONZGO-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000131354100 191013739 /nfs/dbraw/zinc/01/37/39/191013739.db2.gz VDJPJXRXYONZGO-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC1=CCCC1 ZINC000131356916 591599571 /nfs/dbraw/zinc/59/95/71/591599571.db2.gz OAIXUHNOAVTLKU-LBPRGKRZSA-N 1 0 241.444 3.997 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC1=CCCC1 ZINC000131357119 591600182 /nfs/dbraw/zinc/60/01/82/591600182.db2.gz OAIXUHNOAVTLKU-GFCCVEGCSA-N 1 0 241.444 3.997 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCC1=CCCC1 ZINC000131357487 490632868 /nfs/dbraw/zinc/63/28/68/490632868.db2.gz ZPCRKGLRJUKDJB-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCC1=CCCC1 ZINC000131357721 490633395 /nfs/dbraw/zinc/63/33/95/490633395.db2.gz ZPCRKGLRJUKDJB-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)C1CCCC1 ZINC000131359028 191013073 /nfs/dbraw/zinc/01/30/73/191013073.db2.gz YMWJZKJNIZFTQB-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)C1CCCC1 ZINC000131359292 191013036 /nfs/dbraw/zinc/01/30/36/191013036.db2.gz YMWJZKJNIZFTQB-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000131369706 191012930 /nfs/dbraw/zinc/01/29/30/191012930.db2.gz FQYWJFNDLHVXGN-OCCSQVGLSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000131369945 191099800 /nfs/dbraw/zinc/09/98/00/191099800.db2.gz FQYWJFNDLHVXGN-JSGCOSHPSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCC1 ZINC000131370136 191012922 /nfs/dbraw/zinc/01/29/22/191012922.db2.gz FQYWJFNDLHVXGN-TZMCWYRMSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCC1=CCCC1 ZINC000131370343 191013225 /nfs/dbraw/zinc/01/32/25/191013225.db2.gz FQYWJFNDLHVXGN-GXTWGEPZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CCC1=CCCC1 ZINC000131370560 490632797 /nfs/dbraw/zinc/63/27/97/490632797.db2.gz MJPZWZNZTUHYKY-LBPRGKRZSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CCC1=CCCC1 ZINC000131370777 490633384 /nfs/dbraw/zinc/63/33/84/490633384.db2.gz MJPZWZNZTUHYKY-GFCCVEGCSA-N 1 0 235.396 3.769 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000131373196 191013132 /nfs/dbraw/zinc/01/31/32/191013132.db2.gz BAAYOBAANMPXGX-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCC1=CCCC1 ZINC000131373380 191013391 /nfs/dbraw/zinc/01/33/91/191013391.db2.gz BAAYOBAANMPXGX-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO c1ccc2c(c1)[nH+]ccc2N1CCC2(CCC2)C1 ZINC000131413410 325147043 /nfs/dbraw/zinc/14/70/43/325147043.db2.gz OBUDVEAEORSMPR-UHFFFAOYSA-N 1 0 238.334 3.615 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000131417097 490637054 /nfs/dbraw/zinc/63/70/54/490637054.db2.gz AVQZDXDGDVWNLZ-UONOGXRCSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000131417277 490636825 /nfs/dbraw/zinc/63/68/25/490636825.db2.gz AVQZDXDGDVWNLZ-ZIAGYGMSSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000131417497 490637124 /nfs/dbraw/zinc/63/71/24/490637124.db2.gz AVQZDXDGDVWNLZ-KBPBESRZSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000131417719 490636308 /nfs/dbraw/zinc/63/63/08/490636308.db2.gz AVQZDXDGDVWNLZ-KGLIPLIRSA-N 1 0 244.382 3.627 20 0 BHADRO C[N@H+](Cc1ccc(O)cc1)C1CCCCCC1 ZINC000131422258 490636539 /nfs/dbraw/zinc/63/65/39/490636539.db2.gz PNINPPIWINROJL-UHFFFAOYSA-N 1 0 233.355 3.547 20 0 BHADRO Oc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000131427503 490534661 /nfs/dbraw/zinc/53/46/61/490534661.db2.gz YPTMNJIMOWKXEX-MRXNPFEDSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000131427739 490638326 /nfs/dbraw/zinc/63/83/26/490638326.db2.gz YPTMNJIMOWKXEX-INIZCTEOSA-N 1 0 245.366 3.547 20 0 BHADRO CCCCC[N@H+](Cc1ccc(O)cc1)C(C)C ZINC000131432872 490637880 /nfs/dbraw/zinc/63/78/80/490637880.db2.gz NDZRTQCVYRPZHI-UHFFFAOYSA-N 1 0 235.371 3.793 20 0 BHADRO CCC1CCC([N@H+](C)Cc2ccc(O)cc2)CC1 ZINC000131436460 490638099 /nfs/dbraw/zinc/63/80/99/490638099.db2.gz MCQFSWXNZIOUQC-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)(C)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000131439311 490638261 /nfs/dbraw/zinc/63/82/61/490638261.db2.gz NQCUJFVVYHZYGL-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(O)cc1)C1CCCC1 ZINC000131457224 490641138 /nfs/dbraw/zinc/64/11/38/490641138.db2.gz QCGMWFOZZKJKRO-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO C[N@H+](Cc1ccc(O)cc1)C1CCC(C)(C)CC1 ZINC000131458098 490640257 /nfs/dbraw/zinc/64/02/57/490640257.db2.gz XODFKDFHJOFPLF-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)ccc1OC ZINC000131461028 191015189 /nfs/dbraw/zinc/01/51/89/191015189.db2.gz MKWMPKJZKVDBDO-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCF ZINC000131483180 325155594 /nfs/dbraw/zinc/15/55/94/325155594.db2.gz BJKQOGWJJRZXHS-AWEZNQCLSA-N 1 0 223.335 3.675 20 0 BHADRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCCF ZINC000131483392 325155455 /nfs/dbraw/zinc/15/54/55/325155455.db2.gz BJKQOGWJJRZXHS-CQSZACIVSA-N 1 0 223.335 3.675 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131495773 191012795 /nfs/dbraw/zinc/01/27/95/191012795.db2.gz YGZWKAGSZUDJTR-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131495995 191013809 /nfs/dbraw/zinc/01/38/09/191013809.db2.gz YGZWKAGSZUDJTR-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131496218 191013289 /nfs/dbraw/zinc/01/32/89/191013289.db2.gz YGZWKAGSZUDJTR-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131496415 191012714 /nfs/dbraw/zinc/01/27/14/191012714.db2.gz YGZWKAGSZUDJTR-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)nc1 ZINC000131497593 591613350 /nfs/dbraw/zinc/61/33/50/591613350.db2.gz DGQNJJABYGQUEH-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)nc1 ZINC000131497797 591613271 /nfs/dbraw/zinc/61/32/71/591613271.db2.gz DGQNJJABYGQUEH-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C1CCC1 ZINC000131498008 591614146 /nfs/dbraw/zinc/61/41/46/591614146.db2.gz DGQNJJABYGQUEH-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(Cl)nc1 ZINC000131498206 591613672 /nfs/dbraw/zinc/61/36/72/591613672.db2.gz DGQNJJABYGQUEH-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO FC(F)(F)CCCC[NH+]1CCCCCC1 ZINC000131507517 325157272 /nfs/dbraw/zinc/15/72/72/325157272.db2.gz CXPMEJIKRCDMTB-UHFFFAOYSA-N 1 0 223.282 3.595 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000131514007 191014727 /nfs/dbraw/zinc/01/47/27/191014727.db2.gz JNERFDGIWKXCNH-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO CSCCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000131514190 191015156 /nfs/dbraw/zinc/01/51/56/191015156.db2.gz JNERFDGIWKXCNH-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000131518086 191015432 /nfs/dbraw/zinc/01/54/32/191015432.db2.gz SNIWSXVMTPSMEH-OAHLLOKOSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000131518284 191014526 /nfs/dbraw/zinc/01/45/26/191014526.db2.gz SNIWSXVMTPSMEH-HNNXBMFYSA-N 1 0 249.423 3.797 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C)c1ccoc1 ZINC000131522400 325160910 /nfs/dbraw/zinc/16/09/10/325160910.db2.gz DDBNCJLFMCJDGT-LBPRGKRZSA-N 1 0 241.400 3.710 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C)c1ccoc1 ZINC000131522603 325161169 /nfs/dbraw/zinc/16/11/69/325161169.db2.gz DDBNCJLFMCJDGT-GFCCVEGCSA-N 1 0 241.400 3.710 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCSCC(C)C)o1 ZINC000131529039 191014046 /nfs/dbraw/zinc/01/40/46/191014046.db2.gz IARCVUKXMZXYAT-GFCCVEGCSA-N 1 0 241.400 3.628 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCSCC(C)C)o1 ZINC000131529273 191014438 /nfs/dbraw/zinc/01/44/38/191014438.db2.gz IARCVUKXMZXYAT-LBPRGKRZSA-N 1 0 241.400 3.628 20 0 BHADRO CC(C)CSCC[NH2+][C@@H](C)C1CCCC1 ZINC000131531587 191015811 /nfs/dbraw/zinc/01/58/11/191015811.db2.gz YNTMFLQEUXTALN-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H](C)C1CCCC1 ZINC000131531782 191016638 /nfs/dbraw/zinc/01/66/38/191016638.db2.gz YNTMFLQEUXTALN-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000131543184 191015865 /nfs/dbraw/zinc/01/58/65/191015865.db2.gz OGNWMESBINAYGC-RYUDHWBXSA-N 1 0 249.423 3.577 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000131543373 191016648 /nfs/dbraw/zinc/01/66/48/191016648.db2.gz OGNWMESBINAYGC-NEPJUHHUSA-N 1 0 249.423 3.577 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000131543477 490645388 /nfs/dbraw/zinc/64/53/88/490645388.db2.gz NCZBIWDQMBVWON-DZGCQCFKSA-N 1 0 249.423 3.584 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000131543594 191016151 /nfs/dbraw/zinc/01/61/51/191016151.db2.gz OGNWMESBINAYGC-NWDGAFQWSA-N 1 0 249.423 3.577 20 0 BHADRO CC(C)CSCC[NH2+][C@@H](C)c1ccsc1 ZINC000131543664 344233218 /nfs/dbraw/zinc/23/32/18/344233218.db2.gz GBOXSKDZCLXIJB-NSHDSACASA-N 1 0 243.441 3.788 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000131543694 490645181 /nfs/dbraw/zinc/64/51/81/490645181.db2.gz NCZBIWDQMBVWON-UKRRQHHQSA-N 1 0 249.423 3.584 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000131543774 191016025 /nfs/dbraw/zinc/01/60/25/191016025.db2.gz OGNWMESBINAYGC-VXGBXAGGSA-N 1 0 249.423 3.577 20 0 BHADRO CC(C)CSCC[NH2+][C@H](C)c1ccsc1 ZINC000131543854 344232805 /nfs/dbraw/zinc/23/28/05/344232805.db2.gz GBOXSKDZCLXIJB-LLVKDONJSA-N 1 0 243.441 3.788 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H]2CCCSC2)cc1 ZINC000131543899 490644190 /nfs/dbraw/zinc/64/41/90/490644190.db2.gz NCZBIWDQMBVWON-ZFWWWQNUSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCCSC2)cc1 ZINC000131544122 490645374 /nfs/dbraw/zinc/64/53/74/490645374.db2.gz NCZBIWDQMBVWON-HIFRSBDPSA-N 1 0 249.423 3.584 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCSCC(C)C ZINC000131544857 325163151 /nfs/dbraw/zinc/16/31/51/325163151.db2.gz QXPBMEIJZNMVDL-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCSCC(C)C ZINC000131545050 325163010 /nfs/dbraw/zinc/16/30/10/325163010.db2.gz QXPBMEIJZNMVDL-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCSCC(C)C ZINC000131545246 325163255 /nfs/dbraw/zinc/16/32/55/325163255.db2.gz QXPBMEIJZNMVDL-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCSCC(C)C ZINC000131545466 325162992 /nfs/dbraw/zinc/16/29/92/325162992.db2.gz QXPBMEIJZNMVDL-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CCS[C@@H]1CCCC[N@@H+](C2CCCC2)C1 ZINC000131567026 325164856 /nfs/dbraw/zinc/16/48/56/325164856.db2.gz FZVYALGETNYCHC-CYBMUJFWSA-N 1 0 227.417 3.537 20 0 BHADRO CCOCCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000131567202 191016149 /nfs/dbraw/zinc/01/61/49/191016149.db2.gz DBXQNXFOLDEUSU-XJKSGUPXSA-N 1 0 247.382 3.641 20 0 BHADRO CCS[C@H]1CCCC[N@@H+](C2CCCC2)C1 ZINC000131567226 325164777 /nfs/dbraw/zinc/16/47/77/325164777.db2.gz FZVYALGETNYCHC-ZDUSSCGKSA-N 1 0 227.417 3.537 20 0 BHADRO CCOCCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000131567397 191015992 /nfs/dbraw/zinc/01/59/92/191015992.db2.gz DBXQNXFOLDEUSU-BBRMVZONSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000131567638 191016529 /nfs/dbraw/zinc/01/65/29/191016529.db2.gz DBXQNXFOLDEUSU-CZUORRHYSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000131567831 191016811 /nfs/dbraw/zinc/01/68/11/191016811.db2.gz DBXQNXFOLDEUSU-CJNGLKHVSA-N 1 0 247.382 3.641 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H]2CCCSC2)c1 ZINC000131573041 591623768 /nfs/dbraw/zinc/62/37/68/591623768.db2.gz GKUFFKLJXJXVIT-DZGCQCFKSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCCSC2)c1 ZINC000131573247 591623413 /nfs/dbraw/zinc/62/34/13/591623413.db2.gz GKUFFKLJXJXVIT-UKRRQHHQSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H]2CCCSC2)c1 ZINC000131573425 591623128 /nfs/dbraw/zinc/62/31/28/591623128.db2.gz GKUFFKLJXJXVIT-ZFWWWQNUSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H]2CCCSC2)c1 ZINC000131573625 591623016 /nfs/dbraw/zinc/62/30/16/591623016.db2.gz GKUFFKLJXJXVIT-HIFRSBDPSA-N 1 0 249.423 3.584 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000131576960 134631410 /nfs/dbraw/zinc/63/14/10/134631410.db2.gz MWHWGUVQJOMZGL-XUJVJEKNSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000131577144 358683376 /nfs/dbraw/zinc/68/33/76/358683376.db2.gz MWHWGUVQJOMZGL-HUBLWGQQSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000131577356 358683207 /nfs/dbraw/zinc/68/32/07/358683207.db2.gz MWHWGUVQJOMZGL-TYNCELHUSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000131577561 358683488 /nfs/dbraw/zinc/68/34/88/358683488.db2.gz MWHWGUVQJOMZGL-SLEUVZQESA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000131586512 385345018 /nfs/dbraw/zinc/34/50/18/385345018.db2.gz HUBRASYZPPVELE-QWRGUYRKSA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000131586715 385344376 /nfs/dbraw/zinc/34/43/76/385344376.db2.gz HUBRASYZPPVELE-MNOVXSKESA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000131586891 385344037 /nfs/dbraw/zinc/34/40/37/385344037.db2.gz HUBRASYZPPVELE-WDEREUQCSA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000131587101 385343815 /nfs/dbraw/zinc/34/38/15/385343815.db2.gz HUBRASYZPPVELE-GHMZBOCLSA-N 1 0 249.379 3.835 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000131649641 591635204 /nfs/dbraw/zinc/63/52/04/591635204.db2.gz CODWLDCKTWCEKI-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000131649879 591636071 /nfs/dbraw/zinc/63/60/71/591636071.db2.gz CODWLDCKTWCEKI-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000131650091 591636067 /nfs/dbraw/zinc/63/60/67/591636067.db2.gz CODWLDCKTWCEKI-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000131650279 591635583 /nfs/dbraw/zinc/63/55/83/591635583.db2.gz CODWLDCKTWCEKI-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000131651425 191015973 /nfs/dbraw/zinc/01/59/73/191015973.db2.gz LZKKUBQACLHOFU-HUBLWGQQSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000131651844 191015723 /nfs/dbraw/zinc/01/57/23/191015723.db2.gz LZKKUBQACLHOFU-SLEUVZQESA-N 1 0 217.356 3.698 20 0 BHADRO CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000131665688 169277151 /nfs/dbraw/zinc/27/71/51/169277151.db2.gz NOZKEWMWNLOAHH-NSHDSACASA-N 1 0 246.379 3.871 20 0 BHADRO CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000131665924 169288359 /nfs/dbraw/zinc/28/83/59/169288359.db2.gz NOZKEWMWNLOAHH-LLVKDONJSA-N 1 0 246.379 3.871 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000131673680 191016756 /nfs/dbraw/zinc/01/67/56/191016756.db2.gz JYHWYFJVSJEOKL-LLVKDONJSA-N 1 0 237.774 3.760 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000131673895 191016259 /nfs/dbraw/zinc/01/62/59/191016259.db2.gz JYHWYFJVSJEOKL-NSHDSACASA-N 1 0 237.774 3.760 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131676500 323013403 /nfs/dbraw/zinc/01/34/03/323013403.db2.gz GRFDKZKSMHLWLS-LSDHHAIUSA-N 1 0 249.423 3.665 20 0 BHADRO CSCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131676683 325176948 /nfs/dbraw/zinc/17/69/48/325176948.db2.gz GRFDKZKSMHLWLS-GJZGRUSLSA-N 1 0 249.423 3.665 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000131676914 325177153 /nfs/dbraw/zinc/17/71/53/325177153.db2.gz GRFDKZKSMHLWLS-HUUCEWRRSA-N 1 0 249.423 3.665 20 0 BHADRO CSCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000131677110 325177195 /nfs/dbraw/zinc/17/71/95/325177195.db2.gz GRFDKZKSMHLWLS-CABCVRRESA-N 1 0 249.423 3.665 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000131687859 191015844 /nfs/dbraw/zinc/01/58/44/191015844.db2.gz NIHWTZMYTWSGGO-XHDPSFHLSA-N 1 0 235.346 3.695 20 0 BHADRO COCCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000131687992 174249288 /nfs/dbraw/zinc/24/92/88/174249288.db2.gz XBJFTWPGKDSPJE-NSHDSACASA-N 1 0 249.379 3.588 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000131688038 191016415 /nfs/dbraw/zinc/01/64/15/191016415.db2.gz NIHWTZMYTWSGGO-IAQYHMDHSA-N 1 0 235.346 3.695 20 0 BHADRO COCCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000131688224 174250706 /nfs/dbraw/zinc/25/07/06/174250706.db2.gz XBJFTWPGKDSPJE-LLVKDONJSA-N 1 0 249.379 3.588 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000131688243 191015936 /nfs/dbraw/zinc/01/59/36/191015936.db2.gz NIHWTZMYTWSGGO-NHYWBVRUSA-N 1 0 235.346 3.695 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000131688418 170414007 /nfs/dbraw/zinc/41/40/07/170414007.db2.gz VFBWMYIYOCZNEH-NSHDSACASA-N 1 0 249.379 3.588 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000131688468 191016780 /nfs/dbraw/zinc/01/67/80/191016780.db2.gz NIHWTZMYTWSGGO-ABAIWWIYSA-N 1 0 235.346 3.695 20 0 BHADRO CCOCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000131688628 385354008 /nfs/dbraw/zinc/35/40/08/385354008.db2.gz VFBWMYIYOCZNEH-LLVKDONJSA-N 1 0 249.379 3.588 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000131712294 358690921 /nfs/dbraw/zinc/69/09/21/358690921.db2.gz WIQSNCSACYTKSX-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCOc1ccccc1C[NH2+]CCC(C)(C)C ZINC000131713470 191015689 /nfs/dbraw/zinc/01/56/89/191015689.db2.gz HPTIHTPPFQDFQM-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CCC(C)(C)C ZINC000131713993 191015969 /nfs/dbraw/zinc/01/59/69/191015969.db2.gz IQMUHEVQHGSXHW-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)C)cc(C)c1O ZINC000131716182 191016323 /nfs/dbraw/zinc/01/63/23/191016323.db2.gz BNJXZSFMFZRRDQ-UHFFFAOYSA-N 1 0 235.371 3.535 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC000131719706 191016449 /nfs/dbraw/zinc/01/64/49/191016449.db2.gz WPVGDQHBFJAEAE-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCC(C)(C)C ZINC000131719944 191016083 /nfs/dbraw/zinc/01/60/83/191016083.db2.gz VKMGTQCWBIEBLK-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000131730946 191016599 /nfs/dbraw/zinc/01/65/99/191016599.db2.gz INYJSYGWDBYPTA-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO COC[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000131766871 325182471 /nfs/dbraw/zinc/18/24/71/325182471.db2.gz KVTVGBGSBJFZLP-ZFWWWQNUSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H](C)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000131767067 325182338 /nfs/dbraw/zinc/18/23/38/325182338.db2.gz KVTVGBGSBJFZLP-HIFRSBDPSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@@H](C)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000131767230 325183218 /nfs/dbraw/zinc/18/32/18/325183218.db2.gz KVTVGBGSBJFZLP-DZGCQCFKSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H](C)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000131767442 325182964 /nfs/dbraw/zinc/18/29/64/325182964.db2.gz KVTVGBGSBJFZLP-UKRRQHHQSA-N 1 0 249.398 3.646 20 0 BHADRO C[N@H+](CCc1ccccc1F)Cc1ccsc1 ZINC000131800870 490657693 /nfs/dbraw/zinc/65/76/93/490657693.db2.gz JKSWDRUYSDCLSI-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000131811356 383861118 /nfs/dbraw/zinc/86/11/18/383861118.db2.gz LGIOPMNACOTFCK-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000131814675 386224684 /nfs/dbraw/zinc/22/46/84/386224684.db2.gz LFAXAABIZNDQBU-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000131814899 386225447 /nfs/dbraw/zinc/22/54/47/386225447.db2.gz LFAXAABIZNDQBU-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000131821522 383870308 /nfs/dbraw/zinc/87/03/08/383870308.db2.gz XITHLZDDVPVYEX-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000131821707 383871531 /nfs/dbraw/zinc/87/15/31/383871531.db2.gz XITHLZDDVPVYEX-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000131821907 205477397 /nfs/dbraw/zinc/47/73/97/205477397.db2.gz XITHLZDDVPVYEX-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000131822120 383870484 /nfs/dbraw/zinc/87/04/84/383870484.db2.gz XITHLZDDVPVYEX-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc(C(C)C)s1 ZINC000131825157 386223912 /nfs/dbraw/zinc/22/39/12/386223912.db2.gz PMXYZBFDQXPPLD-UHFFFAOYSA-N 1 0 226.389 3.545 20 0 BHADRO CCCC(CCC)[NH2+]CCCC(F)(F)F ZINC000131826772 383869748 /nfs/dbraw/zinc/86/97/48/383869748.db2.gz NVNYTZYCCQNZJP-UHFFFAOYSA-N 1 0 225.298 3.887 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000131827897 171831717 /nfs/dbraw/zinc/83/17/17/171831717.db2.gz SAEZGCYUYQGXPC-LLVKDONJSA-N 1 0 247.313 3.832 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000131828071 385363244 /nfs/dbraw/zinc/36/32/44/385363244.db2.gz SAEZGCYUYQGXPC-NSHDSACASA-N 1 0 247.313 3.832 20 0 BHADRO Cc1cccc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000131861997 179154692 /nfs/dbraw/zinc/15/46/92/179154692.db2.gz XQGARRQLDWEPSN-JKSUJKDBSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1cccc(N[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000131862211 179159017 /nfs/dbraw/zinc/15/90/17/179159017.db2.gz XQGARRQLDWEPSN-HOTGVXAUSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1cccc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000131862432 179154811 /nfs/dbraw/zinc/15/48/11/179154811.db2.gz XQGARRQLDWEPSN-HZPDHXFCSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1cccc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000131862645 179159119 /nfs/dbraw/zinc/15/91/19/179159119.db2.gz XQGARRQLDWEPSN-CVEARBPZSA-N 1 0 238.334 3.552 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1cccs1 ZINC000131870305 385364962 /nfs/dbraw/zinc/36/49/62/385364962.db2.gz OZPJXSBDFRYDRU-LBPRGKRZSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1cccs1 ZINC000131870517 385365966 /nfs/dbraw/zinc/36/59/66/385365966.db2.gz OZPJXSBDFRYDRU-GFCCVEGCSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)c1ccsc1 ZINC000131876632 385366455 /nfs/dbraw/zinc/36/64/55/385366455.db2.gz XZKPJIWGBYGDDQ-LBPRGKRZSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)c1ccsc1 ZINC000131876793 385367487 /nfs/dbraw/zinc/36/74/87/385367487.db2.gz XZKPJIWGBYGDDQ-GFCCVEGCSA-N 1 0 241.400 3.606 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCF)s1 ZINC000131877193 358698830 /nfs/dbraw/zinc/69/88/30/358698830.db2.gz UWXZKYCKFJDAOQ-NSHDSACASA-N 1 0 227.348 3.553 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CCCF)s1 ZINC000131877373 358698913 /nfs/dbraw/zinc/69/89/13/358698913.db2.gz UWXZKYCKFJDAOQ-LLVKDONJSA-N 1 0 227.348 3.553 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000131878100 491133650 /nfs/dbraw/zinc/13/36/50/491133650.db2.gz QAQIWBWVVYNWHD-CVEARBPZSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000131878330 491133655 /nfs/dbraw/zinc/13/36/55/491133655.db2.gz QAQIWBWVVYNWHD-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000131878534 491133654 /nfs/dbraw/zinc/13/36/54/491133654.db2.gz QAQIWBWVVYNWHD-HZPDHXFCSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000131878729 491133691 /nfs/dbraw/zinc/13/36/91/491133691.db2.gz QAQIWBWVVYNWHD-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1CCC1 ZINC000131882647 191017532 /nfs/dbraw/zinc/01/75/32/191017532.db2.gz VESOJYFOVCJUKF-NMKXLXIOSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)C(C)(C)C ZINC000131883733 325189656 /nfs/dbraw/zinc/18/96/56/325189656.db2.gz SBQNDIXLHWKSOR-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1cncs1 ZINC000131883879 191017899 /nfs/dbraw/zinc/01/78/99/191017899.db2.gz SHYCGIMXBJDUES-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)C(C)(C)C ZINC000131883949 325189860 /nfs/dbraw/zinc/18/98/60/325189860.db2.gz SBQNDIXLHWKSOR-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1cncs1 ZINC000131884074 191017526 /nfs/dbraw/zinc/01/75/26/191017526.db2.gz SHYCGIMXBJDUES-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)C1CCCC1 ZINC000131884562 325189578 /nfs/dbraw/zinc/18/95/78/325189578.db2.gz DGWFLRIQERJWKS-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)C1CCCC1 ZINC000131884798 325189777 /nfs/dbraw/zinc/18/97/77/325189777.db2.gz DGWFLRIQERJWKS-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1cccs1 ZINC000131888001 325189640 /nfs/dbraw/zinc/18/96/40/325189640.db2.gz PRQNMJDYLRWTOQ-VXGBXAGGSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1cccs1 ZINC000131888203 325189584 /nfs/dbraw/zinc/18/95/84/325189584.db2.gz PRQNMJDYLRWTOQ-NWDGAFQWSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1cccs1 ZINC000131888416 325189473 /nfs/dbraw/zinc/18/94/73/325189473.db2.gz PRQNMJDYLRWTOQ-NEPJUHHUSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1cccs1 ZINC000131888617 325189540 /nfs/dbraw/zinc/18/95/40/325189540.db2.gz PRQNMJDYLRWTOQ-RYUDHWBXSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)c1ccoc1 ZINC000131888842 325189533 /nfs/dbraw/zinc/18/95/33/325189533.db2.gz UKOLXGAHLNYCAF-NSHDSACASA-N 1 0 235.352 3.625 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)c1ccoc1 ZINC000131889096 325189587 /nfs/dbraw/zinc/18/95/87/325189587.db2.gz UKOLXGAHLNYCAF-LLVKDONJSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)C(C)C ZINC000131893582 325189949 /nfs/dbraw/zinc/18/99/49/325189949.db2.gz VUZGISOPDKCCQT-ZDUSSCGKSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@@H]([NH2+]CCCc1cccs1)C(C)C ZINC000131893783 322964083 /nfs/dbraw/zinc/96/40/83/322964083.db2.gz VUZGISOPDKCCQT-CYBMUJFWSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)c1ccco1 ZINC000131893990 325189838 /nfs/dbraw/zinc/18/98/38/325189838.db2.gz RUXJUMGKTJBLIR-NSHDSACASA-N 1 0 235.352 3.625 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)c1ccco1 ZINC000131894202 325189494 /nfs/dbraw/zinc/18/94/94/325189494.db2.gz RUXJUMGKTJBLIR-LLVKDONJSA-N 1 0 235.352 3.625 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1Cl)C1CCC1 ZINC000131898031 491133778 /nfs/dbraw/zinc/13/37/78/491133778.db2.gz SWQAVNZMYDYFTD-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1Cl)C1CCC1 ZINC000131898222 491133807 /nfs/dbraw/zinc/13/38/07/491133807.db2.gz SWQAVNZMYDYFTD-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO CC(C)[C@H]([NH2+]CCCc1cccs1)C1CC1 ZINC000131899887 325190202 /nfs/dbraw/zinc/19/02/02/325190202.db2.gz IFYYRRSMZIFNIO-AWEZNQCLSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCc1cccs1)C1CC1 ZINC000131900097 345311234 /nfs/dbraw/zinc/31/12/34/345311234.db2.gz IFYYRRSMZIFNIO-CQSZACIVSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000131900305 325190645 /nfs/dbraw/zinc/19/06/45/325190645.db2.gz NHABQIROKZXWQQ-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000131900528 325190229 /nfs/dbraw/zinc/19/02/29/325190229.db2.gz NHABQIROKZXWQQ-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000131900741 325190731 /nfs/dbraw/zinc/19/07/31/325190731.db2.gz NHABQIROKZXWQQ-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000131900944 325190186 /nfs/dbraw/zinc/19/01/86/325190186.db2.gz NHABQIROKZXWQQ-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc(F)c1 ZINC000131905600 491133874 /nfs/dbraw/zinc/13/38/74/491133874.db2.gz GGJIPJPGNUMFBD-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc(F)c1 ZINC000131905784 491132235 /nfs/dbraw/zinc/13/22/35/491132235.db2.gz GGJIPJPGNUMFBD-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C1CCC1 ZINC000131905994 491133873 /nfs/dbraw/zinc/13/38/73/491133873.db2.gz GGJIPJPGNUMFBD-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc(F)c1 ZINC000131906216 491132230 /nfs/dbraw/zinc/13/22/30/491132230.db2.gz GGJIPJPGNUMFBD-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO CCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC000131908193 191018961 /nfs/dbraw/zinc/01/89/61/191018961.db2.gz JYCQERSFLMVOIX-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CC1(C)CCC1 ZINC000131908398 191018253 /nfs/dbraw/zinc/01/82/53/191018253.db2.gz ZECKAMPPHMVNNS-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc2ccccc2o1 ZINC000131911088 191018465 /nfs/dbraw/zinc/01/84/65/191018465.db2.gz GAPTZMAQKVXAFA-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO Cc1ccsc1CC[NH2+]C1CCC(C)CC1 ZINC000131913982 343186620 /nfs/dbraw/zinc/18/66/20/343186620.db2.gz BNHAQUAOXOWRPP-UHFFFAOYSA-N 1 0 237.412 3.767 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000131918700 178774307 /nfs/dbraw/zinc/77/43/07/178774307.db2.gz BGRJUBAKXISVIO-JKSUJKDBSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1ccc(N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000131918909 591676374 /nfs/dbraw/zinc/67/63/74/591676374.db2.gz BGRJUBAKXISVIO-HOTGVXAUSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000131919076 178774338 /nfs/dbraw/zinc/77/43/38/178774338.db2.gz BGRJUBAKXISVIO-HZPDHXFCSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1ccc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000131919294 591677038 /nfs/dbraw/zinc/67/70/38/591677038.db2.gz BGRJUBAKXISVIO-CVEARBPZSA-N 1 0 238.334 3.552 20 0 BHADRO Cc1ccsc1CC[NH2+]C1CCCCCC1 ZINC000131922048 343186701 /nfs/dbraw/zinc/18/67/01/343186701.db2.gz RAKFXWJPSDWSTA-UHFFFAOYSA-N 1 0 237.412 3.911 20 0 BHADRO Cc1ccsc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000131923382 191018651 /nfs/dbraw/zinc/01/86/51/191018651.db2.gz GWHRUFKSGAFSQH-ZDUSSCGKSA-N 1 0 235.396 3.545 20 0 BHADRO Cc1ccsc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000131923556 191018438 /nfs/dbraw/zinc/01/84/38/191018438.db2.gz GWHRUFKSGAFSQH-CYBMUJFWSA-N 1 0 235.396 3.545 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c1C ZINC000131926448 325191441 /nfs/dbraw/zinc/19/14/41/325191441.db2.gz QELWEPTVTHFRTJ-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c1C ZINC000131926664 325191314 /nfs/dbraw/zinc/19/13/14/325191314.db2.gz QELWEPTVTHFRTJ-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c1C ZINC000131926885 325191097 /nfs/dbraw/zinc/19/10/97/325191097.db2.gz QELWEPTVTHFRTJ-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c1C ZINC000131927112 325190960 /nfs/dbraw/zinc/19/09/60/325190960.db2.gz QELWEPTVTHFRTJ-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)C1CCC1 ZINC000131935741 591678733 /nfs/dbraw/zinc/67/87/33/591678733.db2.gz DFBZUWDIXZAAMH-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)C1CCC1 ZINC000131935923 591677886 /nfs/dbraw/zinc/67/78/86/591677886.db2.gz DFBZUWDIXZAAMH-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1cncs1 ZINC000131936124 591677823 /nfs/dbraw/zinc/67/78/23/591677823.db2.gz HUXAAIODQDTJBN-NSHDSACASA-N 1 0 238.400 3.907 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1cncs1 ZINC000131936311 583834240 /nfs/dbraw/zinc/83/42/40/583834240.db2.gz HUXAAIODQDTJBN-LLVKDONJSA-N 1 0 238.400 3.907 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000131939938 191018622 /nfs/dbraw/zinc/01/86/22/191018622.db2.gz CKQHNTKMYIKYNE-CQSZACIVSA-N 1 0 221.319 3.591 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000131940128 191018242 /nfs/dbraw/zinc/01/82/42/191018242.db2.gz CKQHNTKMYIKYNE-AWEZNQCLSA-N 1 0 221.319 3.591 20 0 BHADRO CCc1ccc([C@H]([NH2+]C2CC2)C(C)C)cc1 ZINC000131943930 322964437 /nfs/dbraw/zinc/96/44/37/322964437.db2.gz HRAXVZUHHAPXJJ-OAHLLOKOSA-N 1 0 217.356 3.698 20 0 BHADRO CCc1ccc([C@@H]([NH2+]C2CC2)C(C)C)cc1 ZINC000131944106 322964327 /nfs/dbraw/zinc/96/43/27/322964327.db2.gz HRAXVZUHHAPXJJ-HNNXBMFYSA-N 1 0 217.356 3.698 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000131944646 322964425 /nfs/dbraw/zinc/96/44/25/322964425.db2.gz ZVXXTIYGFDTFRU-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000131944847 383909612 /nfs/dbraw/zinc/90/96/12/383909612.db2.gz ZVXXTIYGFDTFRU-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131955265 383919371 /nfs/dbraw/zinc/91/93/71/383919371.db2.gz KNSMYALHCNNKFC-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131955480 383917353 /nfs/dbraw/zinc/91/73/53/383917353.db2.gz KNSMYALHCNNKFC-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131955671 383919160 /nfs/dbraw/zinc/91/91/60/383919160.db2.gz KNSMYALHCNNKFC-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131955876 383917748 /nfs/dbraw/zinc/91/77/48/383917748.db2.gz KNSMYALHCNNKFC-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCc1ccc(Cl)cc1 ZINC000131961350 191019586 /nfs/dbraw/zinc/01/95/86/191019586.db2.gz CUWQEFODRKEMRR-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCc1ccc(Cl)cc1 ZINC000131961556 191019039 /nfs/dbraw/zinc/01/90/39/191019039.db2.gz CUWQEFODRKEMRR-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1cncs1 ZINC000131964225 383918322 /nfs/dbraw/zinc/91/83/22/383918322.db2.gz CRGTUWQQFMHRIC-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1cncs1 ZINC000131964435 383919144 /nfs/dbraw/zinc/91/91/44/383919144.db2.gz CRGTUWQQFMHRIC-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CCCCCC1 ZINC000131964624 491134411 /nfs/dbraw/zinc/13/44/11/491134411.db2.gz NMXCMJNMBWXULF-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CCCCCC1 ZINC000131964829 491134421 /nfs/dbraw/zinc/13/44/21/491134421.db2.gz NMXCMJNMBWXULF-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131969320 383919236 /nfs/dbraw/zinc/91/92/36/383919236.db2.gz KUWHMNWGSKLGLL-MNOVXSKESA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131969514 344241506 /nfs/dbraw/zinc/24/15/06/344241506.db2.gz KUWHMNWGSKLGLL-QWRGUYRKSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131969727 166894067 /nfs/dbraw/zinc/89/40/67/166894067.db2.gz KUWHMNWGSKLGLL-GHMZBOCLSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131969931 344241483 /nfs/dbraw/zinc/24/14/83/344241483.db2.gz KUWHMNWGSKLGLL-WDEREUQCSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC1CC1 ZINC000131970015 191019408 /nfs/dbraw/zinc/01/94/08/191019408.db2.gz NOVOCLCCCLNQDF-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC1CC1 ZINC000131970215 191019440 /nfs/dbraw/zinc/01/94/40/191019440.db2.gz NOVOCLCCCLNQDF-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CCCCCCC(C)C ZINC000131971389 591682665 /nfs/dbraw/zinc/68/26/65/591682665.db2.gz YBDCBKLGYNPREA-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CCCCCCC(C)C ZINC000131971598 591682611 /nfs/dbraw/zinc/68/26/11/591682611.db2.gz YBDCBKLGYNPREA-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CCCCCCC(C)C ZINC000131971799 591682508 /nfs/dbraw/zinc/68/25/08/591682508.db2.gz YBDCBKLGYNPREA-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CCCCCCC(C)C ZINC000131971987 591681730 /nfs/dbraw/zinc/68/17/30/591681730.db2.gz YBDCBKLGYNPREA-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(C)C1 ZINC000131972192 191019734 /nfs/dbraw/zinc/01/97/34/191019734.db2.gz AQWFOMQDYWRHRI-CVZZAPKMSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(C)C1 ZINC000131972414 191019174 /nfs/dbraw/zinc/01/91/74/191019174.db2.gz AQWFOMQDYWRHRI-IQLKVPPVSA-N 1 0 237.774 3.659 20 0 BHADRO FC(F)(F)CCC[NH2+]CC1CCCCCC1 ZINC000131977663 191100982 /nfs/dbraw/zinc/10/09/82/191100982.db2.gz HJULZFVHIKPTTO-UHFFFAOYSA-N 1 0 237.309 3.889 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000131980306 325193967 /nfs/dbraw/zinc/19/39/67/325193967.db2.gz PUKGNXBFKMLUPC-CQSZACIVSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000131980525 323013812 /nfs/dbraw/zinc/01/38/12/323013812.db2.gz PUKGNXBFKMLUPC-AWEZNQCLSA-N 1 0 237.412 3.623 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1sccc1C ZINC000131980740 325193941 /nfs/dbraw/zinc/19/39/41/325193941.db2.gz SVUYLXVZCHNZRR-OLZOCXBDSA-N 1 0 237.412 3.767 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1sccc1C ZINC000131980945 323013822 /nfs/dbraw/zinc/01/38/22/323013822.db2.gz SVUYLXVZCHNZRR-STQMWFEESA-N 1 0 237.412 3.767 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1sccc1C ZINC000131981158 325194151 /nfs/dbraw/zinc/19/41/51/325194151.db2.gz SVUYLXVZCHNZRR-CHWSQXEVSA-N 1 0 237.412 3.767 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCc1sccc1C ZINC000131981398 325194022 /nfs/dbraw/zinc/19/40/22/325194022.db2.gz SVUYLXVZCHNZRR-QWHCGFSZSA-N 1 0 237.412 3.767 20 0 BHADRO CC[C@H]([NH2+]CCc1sccc1C)C(C)C ZINC000131983048 191019685 /nfs/dbraw/zinc/01/96/85/191019685.db2.gz PFDFHCITNKNOAH-LBPRGKRZSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@@H]([NH2+]CCc1sccc1C)C(C)C ZINC000131983244 191019474 /nfs/dbraw/zinc/01/94/74/191019474.db2.gz PFDFHCITNKNOAH-GFCCVEGCSA-N 1 0 225.401 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)c1ccco1 ZINC000131983466 384209888 /nfs/dbraw/zinc/20/98/88/384209888.db2.gz ZCVYBGKXNUHXPW-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)c1ccco1 ZINC000131983642 358702609 /nfs/dbraw/zinc/70/26/09/358702609.db2.gz ZCVYBGKXNUHXPW-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)c1ccoc1 ZINC000131989350 325193901 /nfs/dbraw/zinc/19/39/01/325193901.db2.gz KDLDEJXGQJVPQX-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)c1ccoc1 ZINC000131989559 325193978 /nfs/dbraw/zinc/19/39/78/325193978.db2.gz KDLDEJXGQJVPQX-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1sccc1C ZINC000131991412 191019438 /nfs/dbraw/zinc/01/94/38/191019438.db2.gz GZIZXSYHWSHCOT-ZYHUDNBSSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1sccc1C ZINC000131991656 191019894 /nfs/dbraw/zinc/01/98/94/191019894.db2.gz GZIZXSYHWSHCOT-CMPLNLGQSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1sccc1C ZINC000131991825 191019225 /nfs/dbraw/zinc/01/92/25/191019225.db2.gz GZIZXSYHWSHCOT-PWSUYJOCSA-N 1 0 225.401 3.623 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1sccc1C ZINC000131991991 191020009 /nfs/dbraw/zinc/02/00/09/191020009.db2.gz GZIZXSYHWSHCOT-JQWIXIFHSA-N 1 0 225.401 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000131995176 191020102 /nfs/dbraw/zinc/02/01/02/191020102.db2.gz CHBBJZQCJURASD-NSHDSACASA-N 1 0 225.401 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)C(C)(C)C ZINC000131995392 191020118 /nfs/dbraw/zinc/02/01/18/191020118.db2.gz CHBBJZQCJURASD-LLVKDONJSA-N 1 0 225.401 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)C1CCCC1 ZINC000131996519 191020040 /nfs/dbraw/zinc/02/00/40/191020040.db2.gz LIPREIZFXXAWCR-LBPRGKRZSA-N 1 0 237.412 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)C1CCCC1 ZINC000131996738 191019764 /nfs/dbraw/zinc/01/97/64/191019764.db2.gz LIPREIZFXXAWCR-GFCCVEGCSA-N 1 0 237.412 3.767 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCNc1ccccc1 ZINC000132010707 325194775 /nfs/dbraw/zinc/19/47/75/325194775.db2.gz KGAINYYDKCVDMX-ZIAGYGMSSA-N 1 0 234.387 3.513 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCNc1ccccc1 ZINC000132010926 325194665 /nfs/dbraw/zinc/19/46/65/325194665.db2.gz KGAINYYDKCVDMX-UONOGXRCSA-N 1 0 234.387 3.513 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000132011111 325194855 /nfs/dbraw/zinc/19/48/55/325194855.db2.gz KGAINYYDKCVDMX-KGLIPLIRSA-N 1 0 234.387 3.513 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000132011317 325194756 /nfs/dbraw/zinc/19/47/56/325194756.db2.gz KGAINYYDKCVDMX-KBPBESRZSA-N 1 0 234.387 3.513 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000132027505 191023014 /nfs/dbraw/zinc/02/30/14/191023014.db2.gz KKCIAPCTOFIFRM-CQSZACIVSA-N 1 0 221.319 3.593 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000132027731 191023506 /nfs/dbraw/zinc/02/35/06/191023506.db2.gz KKCIAPCTOFIFRM-AWEZNQCLSA-N 1 0 221.319 3.593 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1cncs1 ZINC000132055109 384214862 /nfs/dbraw/zinc/21/48/62/384214862.db2.gz KUBUWLCIPYXTMW-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000132055318 384214553 /nfs/dbraw/zinc/21/45/53/384214553.db2.gz KUBUWLCIPYXTMW-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cncs1 ZINC000132055522 384214614 /nfs/dbraw/zinc/21/46/14/384214614.db2.gz KUBUWLCIPYXTMW-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1cncs1 ZINC000132055724 384213101 /nfs/dbraw/zinc/21/31/01/384213101.db2.gz KUBUWLCIPYXTMW-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000132055961 491133971 /nfs/dbraw/zinc/13/39/71/491133971.db2.gz ORECKJHQMFUEOR-STQMWFEESA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000132056156 491134056 /nfs/dbraw/zinc/13/40/56/491134056.db2.gz ORECKJHQMFUEOR-OLZOCXBDSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccccc1 ZINC000132056348 491134055 /nfs/dbraw/zinc/13/40/55/491134055.db2.gz ORECKJHQMFUEOR-QWHCGFSZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000132056524 491134027 /nfs/dbraw/zinc/13/40/27/491134027.db2.gz ORECKJHQMFUEOR-CHWSQXEVSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC000132057797 491119897 /nfs/dbraw/zinc/11/98/97/491119897.db2.gz LCWFMBNRVSXYDN-JTQLQIEISA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC000132058006 491134053 /nfs/dbraw/zinc/13/40/53/491134053.db2.gz LCWFMBNRVSXYDN-SNVBAGLBSA-N 1 0 223.747 3.618 20 0 BHADRO CC(C)C[N@H+](CCCCC(F)(F)F)C1CC1 ZINC000132067664 325196762 /nfs/dbraw/zinc/19/67/62/325196762.db2.gz LGCXVILYJPKQPG-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132072274 358705713 /nfs/dbraw/zinc/70/57/13/358705713.db2.gz VADDANQHCDYDFH-CQSZACIVSA-N 1 0 221.319 3.593 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000132072487 358705885 /nfs/dbraw/zinc/70/58/85/358705885.db2.gz VADDANQHCDYDFH-AWEZNQCLSA-N 1 0 221.319 3.593 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000132073951 191025799 /nfs/dbraw/zinc/02/57/99/191025799.db2.gz RCSVSGIWNUXPNA-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000132074128 191025741 /nfs/dbraw/zinc/02/57/41/191025741.db2.gz RCSVSGIWNUXPNA-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000132074310 191024897 /nfs/dbraw/zinc/02/48/97/191024897.db2.gz RCSVSGIWNUXPNA-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000132074431 191025558 /nfs/dbraw/zinc/02/55/58/191025558.db2.gz RCSVSGIWNUXPNA-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1F ZINC000132075927 491134083 /nfs/dbraw/zinc/13/40/83/491134083.db2.gz HYLBXEDTGYOCCD-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1F ZINC000132076109 491134046 /nfs/dbraw/zinc/13/40/46/491134046.db2.gz HYLBXEDTGYOCCD-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C1CCC1 ZINC000132076280 491134033 /nfs/dbraw/zinc/13/40/33/491134033.db2.gz HYLBXEDTGYOCCD-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1F ZINC000132076393 491134088 /nfs/dbraw/zinc/13/40/88/491134088.db2.gz HYLBXEDTGYOCCD-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccs1 ZINC000132084258 176888159 /nfs/dbraw/zinc/88/81/59/176888159.db2.gz UIYBBNLKKJLZOI-UWVGGRQHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccs1 ZINC000132084437 176914578 /nfs/dbraw/zinc/91/45/78/176914578.db2.gz UIYBBNLKKJLZOI-VHSXEESVSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)C1CCC1 ZINC000132084656 176908533 /nfs/dbraw/zinc/90/85/33/176908533.db2.gz UIYBBNLKKJLZOI-ZJUUUORDSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccs1 ZINC000132084880 384076604 /nfs/dbraw/zinc/07/66/04/384076604.db2.gz UIYBBNLKKJLZOI-NXEZZACHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cncs1)c1cccs1 ZINC000132085111 384075752 /nfs/dbraw/zinc/07/57/52/384075752.db2.gz OQHWTOINZFRDQE-IUCAKERBSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccs1 ZINC000132085319 384076389 /nfs/dbraw/zinc/07/63/89/384076389.db2.gz OQHWTOINZFRDQE-BDAKNGLRSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cncs1 ZINC000132085502 384076322 /nfs/dbraw/zinc/07/63/22/384076322.db2.gz OQHWTOINZFRDQE-DTWKUNHWSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cncs1)c1cccs1 ZINC000132085688 384076691 /nfs/dbraw/zinc/07/66/91/384076691.db2.gz OQHWTOINZFRDQE-RKDXNWHRSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1cccs1 ZINC000132085944 491134111 /nfs/dbraw/zinc/13/41/11/491134111.db2.gz ZYLLQBWNJBQTSF-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1cccs1 ZINC000132086141 491134132 /nfs/dbraw/zinc/13/41/32/491134132.db2.gz ZYLLQBWNJBQTSF-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1cccs1 ZINC000132086350 491134096 /nfs/dbraw/zinc/13/40/96/491134096.db2.gz ZYLLQBWNJBQTSF-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1cccs1 ZINC000132086543 491134115 /nfs/dbraw/zinc/13/41/15/491134115.db2.gz ZYLLQBWNJBQTSF-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)C(C)C ZINC000132087640 325197348 /nfs/dbraw/zinc/19/73/48/325197348.db2.gz TVEWEUOQCUUCLQ-HNNXBMFYSA-N 1 0 234.387 3.513 20 0 BHADRO CC[C@@H]([NH2+]CCCNc1ccccc1)C(C)C ZINC000132087854 325197367 /nfs/dbraw/zinc/19/73/67/325197367.db2.gz TVEWEUOQCUUCLQ-OAHLLOKOSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000132088807 491134126 /nfs/dbraw/zinc/13/41/26/491134126.db2.gz CFRFZUDSZZQPRI-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CCC2)cc1 ZINC000132089001 491134090 /nfs/dbraw/zinc/13/40/90/491134090.db2.gz CFRFZUDSZZQPRI-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000132090002 191025944 /nfs/dbraw/zinc/02/59/44/191025944.db2.gz WJTIIYINHCUWEP-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000132090219 191025471 /nfs/dbraw/zinc/02/54/71/191025471.db2.gz WJTIIYINHCUWEP-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000132090413 191024865 /nfs/dbraw/zinc/02/48/65/191024865.db2.gz WJTIIYINHCUWEP-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1CCC1 ZINC000132090584 191025289 /nfs/dbraw/zinc/02/52/89/191025289.db2.gz WJTIIYINHCUWEP-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO CC[N@H+](CCCCC(F)(F)F)CC(C)C ZINC000132092641 325198216 /nfs/dbraw/zinc/19/82/16/325198216.db2.gz CWWOJWGAIWJZMX-UHFFFAOYSA-N 1 0 225.298 3.697 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccn1 ZINC000132099112 325199264 /nfs/dbraw/zinc/19/92/64/325199264.db2.gz NOCXPBXICIYQCF-AWEZNQCLSA-N 1 0 240.350 3.665 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000132099306 324113812 /nfs/dbraw/zinc/11/38/12/324113812.db2.gz NOCXPBXICIYQCF-CQSZACIVSA-N 1 0 240.350 3.665 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000132100025 191025505 /nfs/dbraw/zinc/02/55/05/191025505.db2.gz BMDIAGQRHKHSGB-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO C[C@H]([NH2+]CCCNc1ccccc1)C(C)(C)C ZINC000132100691 325199074 /nfs/dbraw/zinc/19/90/74/325199074.db2.gz IKSSIXOTAAQESI-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO C[C@@H]([NH2+]CCCNc1ccccc1)C(C)(C)C ZINC000132100907 323014065 /nfs/dbraw/zinc/01/40/65/323014065.db2.gz IKSSIXOTAAQESI-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000132106046 191025716 /nfs/dbraw/zinc/02/57/16/191025716.db2.gz IHEOQGYCOHFMIG-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO C[C@H]([NH2+]CCCNc1ccccc1)C1CCCC1 ZINC000132116704 325199475 /nfs/dbraw/zinc/19/94/75/325199475.db2.gz FADFYXLEXJQZLL-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]([NH2+]CCCNc1ccccc1)C1CCCC1 ZINC000132116916 325199543 /nfs/dbraw/zinc/19/95/43/325199543.db2.gz FADFYXLEXJQZLL-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)[C@H]([NH2+]CCCNc1ccccc1)C1CC1 ZINC000132123575 325200283 /nfs/dbraw/zinc/20/02/83/325200283.db2.gz KCVQQSIIQSLJLJ-INIZCTEOSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCNc1ccccc1)C1CC1 ZINC000132123809 325200473 /nfs/dbraw/zinc/20/04/73/325200473.db2.gz KCVQQSIIQSLJLJ-MRXNPFEDSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CCC(C)CC1 ZINC000132133795 491134957 /nfs/dbraw/zinc/13/49/57/491134957.db2.gz AYIKOKHOQSCAAY-LXVYMNJGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CCC(C)CC1 ZINC000132134010 491134990 /nfs/dbraw/zinc/13/49/90/491134990.db2.gz AYIKOKHOQSCAAY-MBHSVXNSSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000132140730 491134946 /nfs/dbraw/zinc/13/49/46/491134946.db2.gz KZIVSODGDAYYCT-QWRGUYRKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000132140951 491134994 /nfs/dbraw/zinc/13/49/94/491134994.db2.gz KZIVSODGDAYYCT-WDEREUQCSA-N 1 0 221.319 3.665 20 0 BHADRO CCc1ccc(C[NH2+]Cc2c(C)cccc2C)o1 ZINC000132140962 591689411 /nfs/dbraw/zinc/68/94/11/591689411.db2.gz FNXABAVDAISFIQ-UHFFFAOYSA-N 1 0 243.350 3.749 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C1CCC1 ZINC000132141137 491135029 /nfs/dbraw/zinc/13/50/29/491135029.db2.gz KZIVSODGDAYYCT-MNOVXSKESA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000132141329 491135028 /nfs/dbraw/zinc/13/50/28/491135028.db2.gz KZIVSODGDAYYCT-GHMZBOCLSA-N 1 0 221.319 3.665 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)CC1CCC1 ZINC000132150431 491135024 /nfs/dbraw/zinc/13/50/24/491135024.db2.gz UUWSOSBFJODLND-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)CC1CCC1 ZINC000132150637 491134482 /nfs/dbraw/zinc/13/44/82/491134482.db2.gz UUWSOSBFJODLND-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)(C)C1CCC([NH2+]Cc2ccoc2)CC1 ZINC000132168418 358709642 /nfs/dbraw/zinc/70/96/42/358709642.db2.gz CBKYCOYYHUNVCX-UHFFFAOYSA-N 1 0 235.371 3.974 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000132168704 711775647 /nfs/dbraw/zinc/77/56/47/711775647.db2.gz VVMXBSFOHQZODY-RRFJBIMHSA-N 1 0 233.355 3.728 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)o1 ZINC000132168982 491134542 /nfs/dbraw/zinc/13/45/42/491134542.db2.gz LQPAMJMUKSZJCP-CMPLNLGQSA-N 1 0 221.344 3.817 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000132169105 711955630 /nfs/dbraw/zinc/95/56/30/711955630.db2.gz VVMXBSFOHQZODY-RBSFLKMASA-N 1 0 233.355 3.728 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC2CCC2)o1 ZINC000132169214 491134581 /nfs/dbraw/zinc/13/45/81/491134581.db2.gz LQPAMJMUKSZJCP-JQWIXIFHSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC2CCC2)o1 ZINC000132169402 491134562 /nfs/dbraw/zinc/13/45/62/491134562.db2.gz LQPAMJMUKSZJCP-ZYHUDNBSSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC2CCC2)o1 ZINC000132169584 491134573 /nfs/dbraw/zinc/13/45/73/491134573.db2.gz LQPAMJMUKSZJCP-PWSUYJOCSA-N 1 0 221.344 3.817 20 0 BHADRO CCC[NH+](CCC)CCCCC(F)(F)F ZINC000132189800 325203314 /nfs/dbraw/zinc/20/33/14/325203314.db2.gz VGNOVIREMULUJK-UHFFFAOYSA-N 1 0 225.298 3.841 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132201503 491134656 /nfs/dbraw/zinc/13/46/56/491134656.db2.gz HXSKJKOJZMQHGV-CHWSQXEVSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132201685 491134701 /nfs/dbraw/zinc/13/47/01/491134701.db2.gz HXSKJKOJZMQHGV-OLZOCXBDSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132201890 491134689 /nfs/dbraw/zinc/13/46/89/491134689.db2.gz HXSKJKOJZMQHGV-QWHCGFSZSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132202086 491134699 /nfs/dbraw/zinc/13/46/99/491134699.db2.gz HXSKJKOJZMQHGV-STQMWFEESA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000132207985 325204572 /nfs/dbraw/zinc/20/45/72/325204572.db2.gz XDQUZBGEAZISPU-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000132208209 325204200 /nfs/dbraw/zinc/20/42/00/325204200.db2.gz XDQUZBGEAZISPU-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000132209232 591693414 /nfs/dbraw/zinc/69/34/14/591693414.db2.gz QQMKFLATHDIXTK-QWHCGFSZSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000132209441 632466312 /nfs/dbraw/zinc/46/63/12/632466312.db2.gz QQMKFLATHDIXTK-STQMWFEESA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000132209648 591693244 /nfs/dbraw/zinc/69/32/44/591693244.db2.gz QQMKFLATHDIXTK-CHWSQXEVSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000132209829 591693454 /nfs/dbraw/zinc/69/34/54/591693454.db2.gz QQMKFLATHDIXTK-OLZOCXBDSA-N 1 0 237.412 3.787 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccccc1C ZINC000132217519 591694380 /nfs/dbraw/zinc/69/43/80/591694380.db2.gz NZTGMDTUXYFHJJ-GFCCVEGCSA-N 1 0 237.412 3.787 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccccc1C ZINC000132217702 591694366 /nfs/dbraw/zinc/69/43/66/591694366.db2.gz NZTGMDTUXYFHJJ-LBPRGKRZSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000132217922 491134732 /nfs/dbraw/zinc/13/47/32/491134732.db2.gz BNLWFFNJXMLBCD-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000132218100 491134758 /nfs/dbraw/zinc/13/47/58/491134758.db2.gz BNLWFFNJXMLBCD-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cn1 ZINC000132223417 134647233 /nfs/dbraw/zinc/64/72/33/134647233.db2.gz NHRLONKNKQWXRP-IPYPFGDCSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cn1 ZINC000132223600 358713882 /nfs/dbraw/zinc/71/38/82/358713882.db2.gz NHRLONKNKQWXRP-YDHLFZDLSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cn1 ZINC000132223828 358714032 /nfs/dbraw/zinc/71/40/32/358714032.db2.gz NHRLONKNKQWXRP-VNHYZAJKSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cn1 ZINC000132224070 358713700 /nfs/dbraw/zinc/71/37/00/358713700.db2.gz NHRLONKNKQWXRP-KCQAQPDRSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccco1 ZINC000132226442 491134714 /nfs/dbraw/zinc/13/47/14/491134714.db2.gz SUMFWHQGUBKHNT-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccco1 ZINC000132226628 491134730 /nfs/dbraw/zinc/13/47/30/491134730.db2.gz SUMFWHQGUBKHNT-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccco1 ZINC000132226832 491134704 /nfs/dbraw/zinc/13/47/04/491134704.db2.gz SUMFWHQGUBKHNT-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccco1 ZINC000132227020 491134756 /nfs/dbraw/zinc/13/47/56/491134756.db2.gz SUMFWHQGUBKHNT-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)C1CCC1 ZINC000132228408 191027765 /nfs/dbraw/zinc/02/77/65/191027765.db2.gz PHPWRBGCBBJTJC-LBPRGKRZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)C1CCC1 ZINC000132228608 191027469 /nfs/dbraw/zinc/02/74/69/191027469.db2.gz PHPWRBGCBBJTJC-GFCCVEGCSA-N 1 0 235.396 3.557 20 0 BHADRO CC(C)[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000132229722 371770356 /nfs/dbraw/zinc/77/03/56/371770356.db2.gz UMSGCHMCYJPEPP-SECBINFHSA-N 1 0 229.776 3.777 20 0 BHADRO CC(C)[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000132229921 371769444 /nfs/dbraw/zinc/76/94/44/371769444.db2.gz UMSGCHMCYJPEPP-VIFPVBQESA-N 1 0 229.776 3.777 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000132237312 191027492 /nfs/dbraw/zinc/02/74/92/191027492.db2.gz HDVNQAFGRDPEFY-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000132237548 191027655 /nfs/dbraw/zinc/02/76/55/191027655.db2.gz HDVNQAFGRDPEFY-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000132237772 191028258 /nfs/dbraw/zinc/02/82/58/191028258.db2.gz HDVNQAFGRDPEFY-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000132237995 191028013 /nfs/dbraw/zinc/02/80/13/191028013.db2.gz HDVNQAFGRDPEFY-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO Clc1cc2c(s1)CCC[C@@H]2[NH2+]CC1CC1 ZINC000132238420 134648206 /nfs/dbraw/zinc/64/82/06/134648206.db2.gz ATKQPPVHOXWDIA-JTQLQIEISA-N 1 0 241.787 3.779 20 0 BHADRO Clc1cc2c(s1)CCC[C@H]2[NH2+]CC1CC1 ZINC000132238655 134648241 /nfs/dbraw/zinc/64/82/41/134648241.db2.gz ATKQPPVHOXWDIA-SNVBAGLBSA-N 1 0 241.787 3.779 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000132261677 491135041 /nfs/dbraw/zinc/13/50/41/491135041.db2.gz XYMAFKGTXHUXTH-IUODEOHRSA-N 1 0 217.356 3.761 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000132261852 491135000 /nfs/dbraw/zinc/13/50/00/491135000.db2.gz XYMAFKGTXHUXTH-SWLSCSKDSA-N 1 0 217.356 3.761 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000132262017 491135043 /nfs/dbraw/zinc/13/50/43/491135043.db2.gz XYMAFKGTXHUXTH-DOMZBBRYSA-N 1 0 217.356 3.761 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000132262178 491135006 /nfs/dbraw/zinc/13/50/06/491135006.db2.gz XYMAFKGTXHUXTH-WFASDCNBSA-N 1 0 217.356 3.761 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000132262399 591697468 /nfs/dbraw/zinc/69/74/68/591697468.db2.gz IEXYHNIRXGMRHZ-QMTHXVAHSA-N 1 0 237.774 3.585 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000132262555 591697350 /nfs/dbraw/zinc/69/73/50/591697350.db2.gz IEXYHNIRXGMRHZ-IINYFYTJSA-N 1 0 237.774 3.585 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000132262716 591696938 /nfs/dbraw/zinc/69/69/38/591696938.db2.gz IEXYHNIRXGMRHZ-YGRLFVJLSA-N 1 0 237.774 3.585 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000132262879 591697410 /nfs/dbraw/zinc/69/74/10/591697410.db2.gz IEXYHNIRXGMRHZ-HZMBPMFUSA-N 1 0 237.774 3.585 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CC2 ZINC000132267932 191031005 /nfs/dbraw/zinc/03/10/05/191031005.db2.gz SFZCKFOFLUDZPY-OAHLLOKOSA-N 1 0 215.340 3.515 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CC2 ZINC000132268141 191030535 /nfs/dbraw/zinc/03/05/35/191030535.db2.gz SFZCKFOFLUDZPY-HNNXBMFYSA-N 1 0 215.340 3.515 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CSc2ccccc21 ZINC000132268779 191030303 /nfs/dbraw/zinc/03/03/03/191030303.db2.gz YBUYBNNIBCQULB-GFCCVEGCSA-N 1 0 221.369 3.612 20 0 BHADRO CCC(CC)[NH2+][C@H]1CSc2ccccc21 ZINC000132268962 191030276 /nfs/dbraw/zinc/03/02/76/191030276.db2.gz YBUYBNNIBCQULB-LBPRGKRZSA-N 1 0 221.369 3.612 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000132269207 191030370 /nfs/dbraw/zinc/03/03/70/191030370.db2.gz FFBUKXSDOYEQRK-OAHLLOKOSA-N 1 0 217.356 3.761 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000132269436 191031121 /nfs/dbraw/zinc/03/11/21/191031121.db2.gz FFBUKXSDOYEQRK-HNNXBMFYSA-N 1 0 217.356 3.761 20 0 BHADRO CCC(CC)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000132269670 191030386 /nfs/dbraw/zinc/03/03/86/191030386.db2.gz RQJGOQCYCATEPL-CQSZACIVSA-N 1 0 237.774 3.585 20 0 BHADRO CCC(CC)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000132269850 191030144 /nfs/dbraw/zinc/03/01/44/191030144.db2.gz RQJGOQCYCATEPL-AWEZNQCLSA-N 1 0 237.774 3.585 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(C)C)CC2 ZINC000132272123 191030418 /nfs/dbraw/zinc/03/04/18/191030418.db2.gz OOLUONKEJZUSJX-OAHLLOKOSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(C)C)CC2 ZINC000132272344 191030047 /nfs/dbraw/zinc/03/00/47/191030047.db2.gz OOLUONKEJZUSJX-HNNXBMFYSA-N 1 0 217.356 3.618 20 0 BHADRO CC(C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000132274652 191030517 /nfs/dbraw/zinc/03/05/17/191030517.db2.gz KLLUMPIFFNZWQG-RISCZKNCSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000132274841 191030263 /nfs/dbraw/zinc/03/02/63/191030263.db2.gz KLLUMPIFFNZWQG-FZMZJTMJSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000132275062 191030612 /nfs/dbraw/zinc/03/06/12/191030612.db2.gz KLLUMPIFFNZWQG-BXUZGUMPSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000132275287 191031079 /nfs/dbraw/zinc/03/10/79/191031079.db2.gz KLLUMPIFFNZWQG-SMDDNHRTSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC000132277569 491135076 /nfs/dbraw/zinc/13/50/76/491135076.db2.gz MIINQYJJAAXXJU-CQSZACIVSA-N 1 0 219.372 3.643 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCCc1ccccc1 ZINC000132277755 491135058 /nfs/dbraw/zinc/13/50/58/491135058.db2.gz MIINQYJJAAXXJU-AWEZNQCLSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC000132277968 491135068 /nfs/dbraw/zinc/13/50/68/491135068.db2.gz SSNAHLJKYLPYKR-CQSZACIVSA-N 1 0 219.372 3.788 20 0 BHADRO CCC[C@H](C)[NH2+]CCCCc1ccccc1 ZINC000132278198 491135066 /nfs/dbraw/zinc/13/50/66/491135066.db2.gz SSNAHLJKYLPYKR-AWEZNQCLSA-N 1 0 219.372 3.788 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CCC1 ZINC000132278671 191030678 /nfs/dbraw/zinc/03/06/78/191030678.db2.gz ULEBQSKEIZHDLV-IINYFYTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CCC1 ZINC000132278887 191030821 /nfs/dbraw/zinc/03/08/21/191030821.db2.gz ULEBQSKEIZHDLV-QMTHXVAHSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)C1CCC1 ZINC000132279113 191030637 /nfs/dbraw/zinc/03/06/37/191030637.db2.gz ULEBQSKEIZHDLV-HZMBPMFUSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)C1CCC1 ZINC000132279315 191031001 /nfs/dbraw/zinc/03/10/01/191031001.db2.gz ULEBQSKEIZHDLV-YGRLFVJLSA-N 1 0 235.396 3.977 20 0 BHADRO CCCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000132279792 191030168 /nfs/dbraw/zinc/03/01/68/191030168.db2.gz YOPFPDTVWOJMPY-CQSZACIVSA-N 1 0 237.774 3.587 20 0 BHADRO CCCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000132280002 191030851 /nfs/dbraw/zinc/03/08/51/191030851.db2.gz YOPFPDTVWOJMPY-AWEZNQCLSA-N 1 0 237.774 3.587 20 0 BHADRO CSCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000132280451 371783116 /nfs/dbraw/zinc/78/31/16/371783116.db2.gz RWPRJCHJEJUWPP-RISCZKNCSA-N 1 0 235.396 3.578 20 0 BHADRO CSCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000132280653 371783188 /nfs/dbraw/zinc/78/31/88/371783188.db2.gz RWPRJCHJEJUWPP-FZMZJTMJSA-N 1 0 235.396 3.578 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000132280716 491135069 /nfs/dbraw/zinc/13/50/69/491135069.db2.gz BIHRURMGYCCCFJ-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO CSCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000132280807 371783705 /nfs/dbraw/zinc/78/37/05/371783705.db2.gz RWPRJCHJEJUWPP-BXUZGUMPSA-N 1 0 235.396 3.578 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000132280894 491135101 /nfs/dbraw/zinc/13/51/01/491135101.db2.gz BIHRURMGYCCCFJ-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO CSCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000132281028 371783220 /nfs/dbraw/zinc/78/32/20/371783220.db2.gz RWPRJCHJEJUWPP-SMDDNHRTSA-N 1 0 235.396 3.578 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCC1CCCC1 ZINC000132283059 491135085 /nfs/dbraw/zinc/13/50/85/491135085.db2.gz RGFCJXVJGMSDTG-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCC1CCCC1 ZINC000132283272 491135070 /nfs/dbraw/zinc/13/50/70/491135070.db2.gz RGFCJXVJGMSDTG-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000132284645 191031111 /nfs/dbraw/zinc/03/11/11/191031111.db2.gz ALWQNFCWJDUEHD-SWLSCSKDSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000132284828 191030054 /nfs/dbraw/zinc/03/00/54/191030054.db2.gz ALWQNFCWJDUEHD-WFASDCNBSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000132285024 191102082 /nfs/dbraw/zinc/10/20/82/191102082.db2.gz ALWQNFCWJDUEHD-IUODEOHRSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000132285238 191030625 /nfs/dbraw/zinc/03/06/25/191030625.db2.gz ALWQNFCWJDUEHD-DOMZBBRYSA-N 1 0 217.356 3.616 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000132290029 358714544 /nfs/dbraw/zinc/71/45/44/358714544.db2.gz APWDGZBXHMLQEH-UPJWGTAASA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000132290447 358715048 /nfs/dbraw/zinc/71/50/48/358715048.db2.gz APWDGZBXHMLQEH-JHJVBQTASA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000132294383 134648186 /nfs/dbraw/zinc/64/81/86/134648186.db2.gz XLBCPMCFNZLZED-ABAIWWIYSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000132294586 358714617 /nfs/dbraw/zinc/71/46/17/358714617.db2.gz XLBCPMCFNZLZED-NHYWBVRUSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000132294820 134648772 /nfs/dbraw/zinc/64/87/72/134648772.db2.gz XLBCPMCFNZLZED-IAQYHMDHSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000132295021 358714904 /nfs/dbraw/zinc/71/49/04/358714904.db2.gz XLBCPMCFNZLZED-XHDPSFHLSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1cncs1 ZINC000132301581 191030991 /nfs/dbraw/zinc/03/09/91/191030991.db2.gz MODPHAFSMJVQQE-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1cncs1 ZINC000132301815 191030274 /nfs/dbraw/zinc/03/02/74/191030274.db2.gz MODPHAFSMJVQQE-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)CC1CCC1 ZINC000132306546 491135162 /nfs/dbraw/zinc/13/51/62/491135162.db2.gz SARFJHQPNCGWRR-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)CC1CCC1 ZINC000132306740 491135198 /nfs/dbraw/zinc/13/51/98/491135198.db2.gz SARFJHQPNCGWRR-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)Cc1cccs1 ZINC000132306878 491135191 /nfs/dbraw/zinc/13/51/91/491135191.db2.gz SARFJHQPNCGWRR-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)CC1CCC1 ZINC000132307063 491135195 /nfs/dbraw/zinc/13/51/95/491135195.db2.gz SARFJHQPNCGWRR-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)CCCC[NH2+]C(C1CC1)C1CC1 ZINC000132323165 591701455 /nfs/dbraw/zinc/70/14/55/591701455.db2.gz SOEOZWLXDAFUFQ-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]CCCCC(C)C ZINC000132324683 591701427 /nfs/dbraw/zinc/70/14/27/591701427.db2.gz KWLWILIRMFWXST-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]CCCCC(C)C ZINC000132324847 591701985 /nfs/dbraw/zinc/70/19/85/591701985.db2.gz KWLWILIRMFWXST-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCC1 ZINC000132325007 191031140 /nfs/dbraw/zinc/03/11/40/191031140.db2.gz JRZNGQQZMUELKG-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CCC1 ZINC000132325413 191030798 /nfs/dbraw/zinc/03/07/98/191030798.db2.gz JRZNGQQZMUELKG-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[N@H+](CCCCC(F)(F)F)C1CC1 ZINC000132328305 325211818 /nfs/dbraw/zinc/21/18/18/325211818.db2.gz AMGQYMFFMCBZMI-UHFFFAOYSA-N 1 0 223.282 3.592 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cnc(C(C)C)s1 ZINC000132331850 191032268 /nfs/dbraw/zinc/03/22/68/191032268.db2.gz MIKFLGBQWDAFLZ-UHFFFAOYSA-N 1 0 240.416 3.935 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000132332657 591702378 /nfs/dbraw/zinc/70/23/78/591702378.db2.gz BTIATHBXPVEFND-SNVBAGLBSA-N 1 0 225.298 3.887 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCC(F)(F)F ZINC000132332861 591702174 /nfs/dbraw/zinc/70/21/74/591702174.db2.gz BTIATHBXPVEFND-JTQLQIEISA-N 1 0 225.298 3.887 20 0 BHADRO Clc1ccc(C2([NH2+]C3CCCC3)CC2)cc1 ZINC000132339587 191031880 /nfs/dbraw/zinc/03/18/80/191031880.db2.gz TXYKWNZOEVIXJR-UHFFFAOYSA-N 1 0 235.758 3.861 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCC(F)(F)F ZINC000132343683 191031635 /nfs/dbraw/zinc/03/16/35/191031635.db2.gz WJWSGNFNARYWLC-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC(F)(F)F ZINC000132343838 191031958 /nfs/dbraw/zinc/03/19/58/191031958.db2.gz WJWSGNFNARYWLC-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000132344132 191031530 /nfs/dbraw/zinc/03/15/30/191031530.db2.gz DQCCZGYGDVTCQJ-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCC(F)(F)F ZINC000132344262 191032124 /nfs/dbraw/zinc/03/21/24/191032124.db2.gz DQCCZGYGDVTCQJ-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccsc1 ZINC000132348217 176842028 /nfs/dbraw/zinc/84/20/28/176842028.db2.gz PDOXMUWWTHUXKZ-QMMMGPOBSA-N 1 0 237.290 3.741 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccsc1 ZINC000132348388 384186705 /nfs/dbraw/zinc/18/67/05/384186705.db2.gz PDOXMUWWTHUXKZ-MRVPVSSYSA-N 1 0 237.290 3.741 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCC(F)(F)F ZINC000132348988 191031828 /nfs/dbraw/zinc/03/18/28/191031828.db2.gz OWFCRMZSJOKRHA-SNVBAGLBSA-N 1 0 225.298 3.887 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCC(F)(F)F ZINC000132349193 191032078 /nfs/dbraw/zinc/03/20/78/191032078.db2.gz OWFCRMZSJOKRHA-JTQLQIEISA-N 1 0 225.298 3.887 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC(F)(F)F)o1 ZINC000132350239 384227896 /nfs/dbraw/zinc/22/78/96/384227896.db2.gz YSUHHQYQCKACTI-SECBINFHSA-N 1 0 235.249 3.581 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC(F)(F)F)o1 ZINC000132350432 178888936 /nfs/dbraw/zinc/88/89/36/178888936.db2.gz YSUHHQYQCKACTI-VIFPVBQESA-N 1 0 235.249 3.581 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000132352295 343188335 /nfs/dbraw/zinc/18/83/35/343188335.db2.gz NXHNFZMKWTULFM-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000132352489 343188015 /nfs/dbraw/zinc/18/80/15/343188015.db2.gz NXHNFZMKWTULFM-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[N@H+](Cc1cccc(O)c1)C1CCCCCC1 ZINC000132358234 191030966 /nfs/dbraw/zinc/03/09/66/191030966.db2.gz KZFYYQQFYKUKJP-UHFFFAOYSA-N 1 0 233.355 3.547 20 0 BHADRO CC[N@H+](CCCCC(F)(F)F)C1CCCC1 ZINC000132362352 344424444 /nfs/dbraw/zinc/42/44/44/344424444.db2.gz MPVUXXDKODUXQS-UHFFFAOYSA-N 1 0 237.309 3.984 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)CSC(C)(C)C ZINC000132363346 591705920 /nfs/dbraw/zinc/70/59/20/591705920.db2.gz MWPFYMCNRGQOAL-QWRGUYRKSA-N 1 0 249.489 3.638 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)CSC(C)(C)C ZINC000132363564 591705274 /nfs/dbraw/zinc/70/52/74/591705274.db2.gz MWPFYMCNRGQOAL-WDEREUQCSA-N 1 0 249.489 3.638 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)CSC(C)(C)C ZINC000132363755 591705181 /nfs/dbraw/zinc/70/51/81/591705181.db2.gz MWPFYMCNRGQOAL-MNOVXSKESA-N 1 0 249.489 3.638 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)CSC(C)(C)C ZINC000132363926 591705950 /nfs/dbraw/zinc/70/59/50/591705950.db2.gz MWPFYMCNRGQOAL-GHMZBOCLSA-N 1 0 249.489 3.638 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)CCC=C(C)C ZINC000132365766 191031133 /nfs/dbraw/zinc/03/11/33/191031133.db2.gz BTLDCFVDLAVEAN-STQMWFEESA-N 1 0 229.433 3.853 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)CCC=C(C)C ZINC000132365981 191885566 /nfs/dbraw/zinc/88/55/66/191885566.db2.gz BTLDCFVDLAVEAN-QWHCGFSZSA-N 1 0 229.433 3.853 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)CCC=C(C)C ZINC000132366170 191030359 /nfs/dbraw/zinc/03/03/59/191030359.db2.gz BTLDCFVDLAVEAN-OLZOCXBDSA-N 1 0 229.433 3.853 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)CCC=C(C)C ZINC000132366357 386232509 /nfs/dbraw/zinc/23/25/09/386232509.db2.gz BTLDCFVDLAVEAN-CHWSQXEVSA-N 1 0 229.433 3.853 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)CSC)o1 ZINC000132366600 191030363 /nfs/dbraw/zinc/03/03/63/191030363.db2.gz LOUAYRLREVXINX-MNOVXSKESA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](CC)CSC)o1 ZINC000132366776 191031047 /nfs/dbraw/zinc/03/10/47/191031047.db2.gz LOUAYRLREVXINX-QWRGUYRKSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](CC)CSC)o1 ZINC000132366962 191030293 /nfs/dbraw/zinc/03/02/93/191030293.db2.gz LOUAYRLREVXINX-GHMZBOCLSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](CC)CSC)o1 ZINC000132367157 191030549 /nfs/dbraw/zinc/03/05/49/191030549.db2.gz LOUAYRLREVXINX-WDEREUQCSA-N 1 0 241.400 3.634 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@@H](C)c1ccccn1 ZINC000132370767 345328785 /nfs/dbraw/zinc/32/87/85/345328785.db2.gz FESKFEOEGOSJHP-LBPRGKRZSA-N 1 0 246.379 3.726 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@H](C)c1ccccn1 ZINC000132370996 345328635 /nfs/dbraw/zinc/32/86/35/345328635.db2.gz FESKFEOEGOSJHP-GFCCVEGCSA-N 1 0 246.379 3.726 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000132380318 191032225 /nfs/dbraw/zinc/03/22/25/191032225.db2.gz PKFFAVCDVSJIHK-NEPJUHHUSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000132380445 191031914 /nfs/dbraw/zinc/03/19/14/191031914.db2.gz PKFFAVCDVSJIHK-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000132380630 191032217 /nfs/dbraw/zinc/03/22/17/191032217.db2.gz PKFFAVCDVSJIHK-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000132380797 191031588 /nfs/dbraw/zinc/03/15/88/191031588.db2.gz PKFFAVCDVSJIHK-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO CC(C)([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000132387007 325213946 /nfs/dbraw/zinc/21/39/46/325213946.db2.gz BKMLEVYAEPVBBY-UHFFFAOYSA-N 1 0 221.319 3.593 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C2CCCC2)c1 ZINC000132387418 325213800 /nfs/dbraw/zinc/21/38/00/325213800.db2.gz NGORNBBWVXVDEX-UHFFFAOYSA-N 1 0 217.356 3.762 20 0 BHADRO Clc1cccc(C2([NH2+]C3CCCC3)CC2)c1 ZINC000132388727 191031541 /nfs/dbraw/zinc/03/15/41/191031541.db2.gz ARWOOWWUGQLHLT-UHFFFAOYSA-N 1 0 235.758 3.861 20 0 BHADRO Oc1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000132393728 358721004 /nfs/dbraw/zinc/72/10/04/358721004.db2.gz HNLOUPFYNSKSQU-ZBFHGGJFSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000132393954 358721124 /nfs/dbraw/zinc/72/11/24/358721124.db2.gz HNLOUPFYNSKSQU-HOCLYGCPSA-N 1 0 245.366 3.547 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCC(C)C)[C@@H]1CCOC1 ZINC000132395434 191032281 /nfs/dbraw/zinc/03/22/81/191032281.db2.gz WEMUPJQLHQSBAG-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCC(C)C)[C@H]1CCOC1 ZINC000132395814 191031399 /nfs/dbraw/zinc/03/13/99/191031399.db2.gz WEMUPJQLHQSBAG-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000132396203 191032001 /nfs/dbraw/zinc/03/20/01/191032001.db2.gz KGXRNPMIHNYEIL-ZDUSSCGKSA-N 1 0 223.335 3.911 20 0 BHADRO CC(C)[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000132396409 191032179 /nfs/dbraw/zinc/03/21/79/191032179.db2.gz KGXRNPMIHNYEIL-CYBMUJFWSA-N 1 0 223.335 3.911 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2CCC2)s1 ZINC000132396627 491136049 /nfs/dbraw/zinc/13/60/49/491136049.db2.gz JEKQTQIGPOVJQR-JTQLQIEISA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2CCC2)s1 ZINC000132396831 491136026 /nfs/dbraw/zinc/13/60/26/491136026.db2.gz JEKQTQIGPOVJQR-SNVBAGLBSA-N 1 0 223.385 3.589 20 0 BHADRO CCC[C@H]([NH2+]C(C)C)c1ccc(F)cc1F ZINC000132398787 358721419 /nfs/dbraw/zinc/72/14/19/358721419.db2.gz KZOJDNKXFBAHDP-ZDUSSCGKSA-N 1 0 227.298 3.804 20 0 BHADRO CCC[C@@H]([NH2+]C(C)C)c1ccc(F)cc1F ZINC000132398988 358721526 /nfs/dbraw/zinc/72/15/26/358721526.db2.gz KZOJDNKXFBAHDP-CYBMUJFWSA-N 1 0 227.298 3.804 20 0 BHADRO CC(C)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000132399706 191031968 /nfs/dbraw/zinc/03/19/68/191031968.db2.gz VEZODRULYJUROQ-UHFFFAOYSA-N 1 0 244.165 3.981 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000132399943 191031961 /nfs/dbraw/zinc/03/19/61/191031961.db2.gz AQHVJICVIQCCCZ-JTQLQIEISA-N 1 0 227.298 3.662 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)CC1CC1 ZINC000132400112 191032027 /nfs/dbraw/zinc/03/20/27/191032027.db2.gz YVWULYJLMQYCFH-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000132400136 191032230 /nfs/dbraw/zinc/03/22/30/191032230.db2.gz AQHVJICVIQCCCZ-SNVBAGLBSA-N 1 0 227.298 3.662 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CC1CC1 ZINC000132400286 191032199 /nfs/dbraw/zinc/03/21/99/191032199.db2.gz YVWULYJLMQYCFH-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000132400507 191031646 /nfs/dbraw/zinc/03/16/46/191031646.db2.gz YVWULYJLMQYCFH-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)CC1CC1 ZINC000132400717 191031199 /nfs/dbraw/zinc/03/11/99/191031199.db2.gz YVWULYJLMQYCFH-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000132401194 191031875 /nfs/dbraw/zinc/03/18/75/191031875.db2.gz DYSSNUNAYCKNAJ-JTQLQIEISA-N 1 0 227.298 3.806 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000132401360 191031238 /nfs/dbraw/zinc/03/12/38/191031238.db2.gz DYSSNUNAYCKNAJ-SNVBAGLBSA-N 1 0 227.298 3.806 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccco1 ZINC000132403902 191031781 /nfs/dbraw/zinc/03/17/81/191031781.db2.gz PVNMHJJGZGKRLB-RYUDHWBXSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccco1 ZINC000132404106 191031233 /nfs/dbraw/zinc/03/12/33/191031233.db2.gz PVNMHJJGZGKRLB-NEPJUHHUSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccco1 ZINC000132404290 191032343 /nfs/dbraw/zinc/03/23/43/191032343.db2.gz PVNMHJJGZGKRLB-NWDGAFQWSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccco1 ZINC000132404486 191032023 /nfs/dbraw/zinc/03/20/23/191032023.db2.gz PVNMHJJGZGKRLB-VXGBXAGGSA-N 1 0 247.313 3.701 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccccc1OC(C)C ZINC000132410901 191031423 /nfs/dbraw/zinc/03/14/23/191031423.db2.gz DSFOFWFEKJWFAB-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CCC2)s1 ZINC000132411024 491135804 /nfs/dbraw/zinc/13/58/04/491135804.db2.gz BHGIEFCVXOIXRX-JTQLQIEISA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CCC2)s1 ZINC000132411234 491135783 /nfs/dbraw/zinc/13/57/83/491135783.db2.gz BHGIEFCVXOIXRX-SNVBAGLBSA-N 1 0 223.385 3.725 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000132413996 591707331 /nfs/dbraw/zinc/70/73/31/591707331.db2.gz OIVPODYLRAHKFC-CQSZACIVSA-N 1 0 249.423 3.714 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000132414192 591707085 /nfs/dbraw/zinc/70/70/85/591707085.db2.gz OIVPODYLRAHKFC-AWEZNQCLSA-N 1 0 249.423 3.714 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000132415739 191031751 /nfs/dbraw/zinc/03/17/51/191031751.db2.gz YZDMEWIQEQFYPG-NSHDSACASA-N 1 0 223.335 3.535 20 0 BHADRO CCC(CC)[NH2+][C@H](C)Cc1ccccc1F ZINC000132415950 191032288 /nfs/dbraw/zinc/03/22/88/191032288.db2.gz YZDMEWIQEQFYPG-LLVKDONJSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CC1 ZINC000132421925 325216165 /nfs/dbraw/zinc/21/61/65/325216165.db2.gz QYNFIYFZFNSUCD-NHYWBVRUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CC1 ZINC000132422113 325216312 /nfs/dbraw/zinc/21/63/12/325216312.db2.gz QYNFIYFZFNSUCD-XHDPSFHLSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1F)C1CC1 ZINC000132422300 324115752 /nfs/dbraw/zinc/11/57/52/324115752.db2.gz QYNFIYFZFNSUCD-ABAIWWIYSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C1CC1 ZINC000132422511 325216125 /nfs/dbraw/zinc/21/61/25/325216125.db2.gz QYNFIYFZFNSUCD-IAQYHMDHSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000132426187 411939424 /nfs/dbraw/zinc/93/94/24/411939424.db2.gz BSSRPWMZPCZMHO-SNVBAGLBSA-N 1 0 240.416 3.791 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000132428648 191033401 /nfs/dbraw/zinc/03/34/01/191033401.db2.gz GBVVSURBFTXHAG-UKRRQHHQSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000132428822 191032643 /nfs/dbraw/zinc/03/26/43/191032643.db2.gz GBVVSURBFTXHAG-DZGCQCFKSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000132428996 191032488 /nfs/dbraw/zinc/03/24/88/191032488.db2.gz GBVVSURBFTXHAG-HIFRSBDPSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000132429143 191032444 /nfs/dbraw/zinc/03/24/44/191032444.db2.gz GBVVSURBFTXHAG-ZFWWWQNUSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCC2)c(C)c1 ZINC000132429428 491135952 /nfs/dbraw/zinc/13/59/52/491135952.db2.gz SUDLNGUPUINPSU-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCC2)c(C)c1 ZINC000132429610 491135954 /nfs/dbraw/zinc/13/59/54/491135954.db2.gz SUDLNGUPUINPSU-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000132432239 191033424 /nfs/dbraw/zinc/03/34/24/191033424.db2.gz CKFFLJGKOWWSFT-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000132432415 191102985 /nfs/dbraw/zinc/10/29/85/191102985.db2.gz CKFFLJGKOWWSFT-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000132432631 191032530 /nfs/dbraw/zinc/03/25/30/191032530.db2.gz CKFFLJGKOWWSFT-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000132432843 191032600 /nfs/dbraw/zinc/03/26/00/191032600.db2.gz CKFFLJGKOWWSFT-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000132433649 191033355 /nfs/dbraw/zinc/03/33/55/191033355.db2.gz GJTBFYKDKBUDGT-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000132433824 191032640 /nfs/dbraw/zinc/03/26/40/191032640.db2.gz GJTBFYKDKBUDGT-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000132434617 491136003 /nfs/dbraw/zinc/13/60/03/491136003.db2.gz BSJYIRGSOFUEGS-DCBWTQNWSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000132434806 491135973 /nfs/dbraw/zinc/13/59/73/491135973.db2.gz BSJYIRGSOFUEGS-LKSINWNRSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000132434985 191032526 /nfs/dbraw/zinc/03/25/26/191032526.db2.gz HRQQYJNOPCTVQR-UNXYVOJBSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000132435199 191033110 /nfs/dbraw/zinc/03/31/10/191033110.db2.gz HRQQYJNOPCTVQR-VOMCLLRMSA-N 1 0 238.400 3.763 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000132436713 191103556 /nfs/dbraw/zinc/10/35/56/191103556.db2.gz CNPGKBKACYCFKW-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000132436961 191033179 /nfs/dbraw/zinc/03/31/79/191033179.db2.gz CNPGKBKACYCFKW-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1C ZINC000132444989 191032815 /nfs/dbraw/zinc/03/28/15/191032815.db2.gz RDMMBZZRKHYNTK-UKRRQHHQSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1C ZINC000132445180 191033135 /nfs/dbraw/zinc/03/31/35/191033135.db2.gz RDMMBZZRKHYNTK-DZGCQCFKSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1C ZINC000132445397 191032750 /nfs/dbraw/zinc/03/27/50/191032750.db2.gz RDMMBZZRKHYNTK-HIFRSBDPSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1C ZINC000132445593 191032606 /nfs/dbraw/zinc/03/26/06/191032606.db2.gz RDMMBZZRKHYNTK-ZFWWWQNUSA-N 1 0 249.423 3.850 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000132446615 325216490 /nfs/dbraw/zinc/21/64/90/325216490.db2.gz KIRLULGUIDTSLA-OAHLLOKOSA-N 1 0 248.414 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000132446834 325217044 /nfs/dbraw/zinc/21/70/44/325217044.db2.gz KIRLULGUIDTSLA-HNNXBMFYSA-N 1 0 248.414 3.537 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1scnc1C ZINC000132448940 191033486 /nfs/dbraw/zinc/03/34/86/191033486.db2.gz RHRUNVXEHPTJJX-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1scnc1C ZINC000132449127 191033137 /nfs/dbraw/zinc/03/31/37/191033137.db2.gz RHRUNVXEHPTJJX-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1scnc1C ZINC000132449359 191033523 /nfs/dbraw/zinc/03/35/23/191033523.db2.gz RHRUNVXEHPTJJX-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1scnc1C ZINC000132449592 191033452 /nfs/dbraw/zinc/03/34/52/191033452.db2.gz RHRUNVXEHPTJJX-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000132450400 325217359 /nfs/dbraw/zinc/21/73/59/325217359.db2.gz ZCWWPJKGXVNYAL-VHDGCEQUSA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000132450849 325217302 /nfs/dbraw/zinc/21/73/02/325217302.db2.gz ZCWWPJKGXVNYAL-SNPRPXQTSA-N 1 0 249.423 3.664 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000132460142 191032746 /nfs/dbraw/zinc/03/27/46/191032746.db2.gz SVWMHRIBMBFHSQ-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000132460369 191032447 /nfs/dbraw/zinc/03/24/47/191032447.db2.gz SVWMHRIBMBFHSQ-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000132461080 591709795 /nfs/dbraw/zinc/70/97/95/591709795.db2.gz JJWXPSWVHJIZER-SECBINFHSA-N 1 0 243.338 3.798 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCSC(F)(F)F ZINC000132461277 591710413 /nfs/dbraw/zinc/71/04/13/591710413.db2.gz JJWXPSWVHJIZER-VIFPVBQESA-N 1 0 243.338 3.798 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000132469709 591711214 /nfs/dbraw/zinc/71/12/14/591711214.db2.gz GJUMICOECQBHKE-SECBINFHSA-N 1 0 243.338 3.654 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCSC(F)(F)F ZINC000132469897 591711015 /nfs/dbraw/zinc/71/10/15/591711015.db2.gz GJUMICOECQBHKE-VIFPVBQESA-N 1 0 243.338 3.654 20 0 BHADRO CSCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000132488028 325220991 /nfs/dbraw/zinc/22/09/91/325220991.db2.gz REPQRQUROCKOCG-LSDHHAIUSA-N 1 0 249.423 3.665 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000132496705 491136336 /nfs/dbraw/zinc/13/63/36/491136336.db2.gz HXDUBAFQZGOKFV-DTWKUNHWSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000132496905 491136324 /nfs/dbraw/zinc/13/63/24/491136324.db2.gz HXDUBAFQZGOKFV-IUCAKERBSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000132497105 491136349 /nfs/dbraw/zinc/13/63/49/491136349.db2.gz HXDUBAFQZGOKFV-RKDXNWHRSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000132497319 491136350 /nfs/dbraw/zinc/13/63/50/491136350.db2.gz HXDUBAFQZGOKFV-BDAKNGLRSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c(C)o1 ZINC000132500424 491136371 /nfs/dbraw/zinc/13/63/71/491136371.db2.gz ZPPKJUXMUSGPRX-MWLCHTKSSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C2CC2)c(C)o1 ZINC000132500618 491136381 /nfs/dbraw/zinc/13/63/81/491136381.db2.gz ZPPKJUXMUSGPRX-KOLCDFICSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C2CC2)c(C)o1 ZINC000132500843 491136368 /nfs/dbraw/zinc/13/63/68/491136368.db2.gz ZPPKJUXMUSGPRX-GXSJLCMTSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C2CC2)c(C)o1 ZINC000132501039 491136359 /nfs/dbraw/zinc/13/63/59/491136359.db2.gz ZPPKJUXMUSGPRX-ONGXEEELSA-N 1 0 221.344 3.593 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)CC1CCC1 ZINC000132503937 538110672 /nfs/dbraw/zinc/11/06/72/538110672.db2.gz WZFMQYQOVSOQDT-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)CC1CCC1 ZINC000132504135 538110679 /nfs/dbraw/zinc/11/06/79/538110679.db2.gz WZFMQYQOVSOQDT-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)Cc1ccsc1 ZINC000132504357 632675543 /nfs/dbraw/zinc/67/55/43/632675543.db2.gz WZFMQYQOVSOQDT-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)CC1CCC1 ZINC000132504545 632676248 /nfs/dbraw/zinc/67/62/48/632676248.db2.gz WZFMQYQOVSOQDT-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000132519357 591714251 /nfs/dbraw/zinc/71/42/51/591714251.db2.gz IJDWIICNNNWOGE-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO C[C@H](C[NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000132519578 591714881 /nfs/dbraw/zinc/71/48/81/591714881.db2.gz IJDWIICNNNWOGE-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccoc1 ZINC000132526179 384194074 /nfs/dbraw/zinc/19/40/74/384194074.db2.gz ROLZVVXNUBIUEJ-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccoc1 ZINC000132526369 384194576 /nfs/dbraw/zinc/19/45/76/384194576.db2.gz ROLZVVXNUBIUEJ-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccoc1 ZINC000132527610 344303664 /nfs/dbraw/zinc/30/36/64/344303664.db2.gz RSCXHBNUIUVVBC-DGCLKSJQSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccoc1 ZINC000132527753 344303377 /nfs/dbraw/zinc/30/33/77/344303377.db2.gz RSCXHBNUIUVVBC-WCQYABFASA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccoc1 ZINC000132527962 344303453 /nfs/dbraw/zinc/30/34/53/344303453.db2.gz RSCXHBNUIUVVBC-YPMHNXCESA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccoc1 ZINC000132528151 344303420 /nfs/dbraw/zinc/30/34/20/344303420.db2.gz RSCXHBNUIUVVBC-AAEUAGOBSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@@H](CCO)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000132529986 134659340 /nfs/dbraw/zinc/65/93/40/134659340.db2.gz IZHPMFOKIKRJGV-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCO)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000132530190 358727407 /nfs/dbraw/zinc/72/74/07/358727407.db2.gz IZHPMFOKIKRJGV-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](CCO)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000132530388 358727100 /nfs/dbraw/zinc/72/71/00/358727100.db2.gz IZHPMFOKIKRJGV-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCO)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000132530585 358727212 /nfs/dbraw/zinc/72/72/12/358727212.db2.gz IZHPMFOKIKRJGV-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccoc2)s1 ZINC000132532013 191033202 /nfs/dbraw/zinc/03/32/02/191033202.db2.gz ZVHUGLAXSOBGOA-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccoc2)s1 ZINC000132532216 191033368 /nfs/dbraw/zinc/03/33/68/191033368.db2.gz ZVHUGLAXSOBGOA-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000132533765 591716716 /nfs/dbraw/zinc/71/67/16/591716716.db2.gz WARNYTLNTZHIIP-ZCRIDZFUSA-N 1 0 239.746 3.949 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000132533945 591717402 /nfs/dbraw/zinc/71/74/02/591717402.db2.gz WARNYTLNTZHIIP-FZKGZDJFSA-N 1 0 239.746 3.949 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000132548315 191033979 /nfs/dbraw/zinc/03/39/79/191033979.db2.gz WOVJRCUAVQCSPE-LLVKDONJSA-N 1 0 225.763 3.845 20 0 BHADRO CC[C@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000132548522 191033875 /nfs/dbraw/zinc/03/38/75/191033875.db2.gz WOVJRCUAVQCSPE-NSHDSACASA-N 1 0 225.763 3.845 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000132550364 191034064 /nfs/dbraw/zinc/03/40/64/191034064.db2.gz YLACMWDICWDOFO-UONOGXRCSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000132550586 191034246 /nfs/dbraw/zinc/03/42/46/191034246.db2.gz YLACMWDICWDOFO-KBPBESRZSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000132550737 191034689 /nfs/dbraw/zinc/03/46/89/191034689.db2.gz YLACMWDICWDOFO-ZIAGYGMSSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000132550899 191033683 /nfs/dbraw/zinc/03/36/83/191033683.db2.gz YLACMWDICWDOFO-KGLIPLIRSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[C@@H](C[NH2+]CCSC)c1ccccc1 ZINC000132555869 371861131 /nfs/dbraw/zinc/86/11/31/371861131.db2.gz CAIKOAITDGTVTK-AWEZNQCLSA-N 1 0 237.412 3.523 20 0 BHADRO CCC[C@H](C[NH2+]CCSC)c1ccccc1 ZINC000132556061 371861311 /nfs/dbraw/zinc/86/13/11/371861311.db2.gz CAIKOAITDGTVTK-CQSZACIVSA-N 1 0 237.412 3.523 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1ccc(Cl)s1 ZINC000132587338 398305761 /nfs/dbraw/zinc/30/57/61/398305761.db2.gz KZMDQCOPMUVRAS-SNVBAGLBSA-N 1 0 245.819 3.970 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1ccc(Cl)s1 ZINC000132587551 398305597 /nfs/dbraw/zinc/30/55/97/398305597.db2.gz KZMDQCOPMUVRAS-JTQLQIEISA-N 1 0 245.819 3.970 20 0 BHADRO CC[C@H]([NH2+]C(C)C)C(C)(C)c1ccccc1 ZINC000132592709 191034092 /nfs/dbraw/zinc/03/40/92/191034092.db2.gz PVKPHWDBEVNDKO-AWEZNQCLSA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@@H]([NH2+]C(C)C)C(C)(C)c1ccccc1 ZINC000132592910 191033908 /nfs/dbraw/zinc/03/39/08/191033908.db2.gz PVKPHWDBEVNDKO-CQSZACIVSA-N 1 0 219.372 3.741 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+]C1CC=CC1 ZINC000132600045 412121516 /nfs/dbraw/zinc/12/15/16/412121516.db2.gz OEYUKHXDQAJZDI-UHFFFAOYSA-N 1 0 242.149 3.802 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCF ZINC000132602986 325228766 /nfs/dbraw/zinc/22/87/66/325228766.db2.gz GRWOOCHLBRUCRL-NSHDSACASA-N 1 0 243.753 3.562 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCF ZINC000132603185 325228830 /nfs/dbraw/zinc/22/88/30/325228830.db2.gz GRWOOCHLBRUCRL-LLVKDONJSA-N 1 0 243.753 3.562 20 0 BHADRO FCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000132619234 384241483 /nfs/dbraw/zinc/24/14/83/384241483.db2.gz JTMBQFREEUPCTK-LBPRGKRZSA-N 1 0 225.307 3.556 20 0 BHADRO FCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000132619457 384240949 /nfs/dbraw/zinc/24/09/49/384240949.db2.gz JTMBQFREEUPCTK-GFCCVEGCSA-N 1 0 225.307 3.556 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCF)C1 ZINC000132642377 358731635 /nfs/dbraw/zinc/73/16/35/358731635.db2.gz DBOWFJSNDMFHOH-UONOGXRCSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCF)C1 ZINC000132642595 358731756 /nfs/dbraw/zinc/73/17/56/358731756.db2.gz DBOWFJSNDMFHOH-KBPBESRZSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCF)C1 ZINC000132642799 358731749 /nfs/dbraw/zinc/73/17/49/358731749.db2.gz DBOWFJSNDMFHOH-ZIAGYGMSSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCF)C1 ZINC000132642991 358731964 /nfs/dbraw/zinc/73/19/64/358731964.db2.gz DBOWFJSNDMFHOH-KGLIPLIRSA-N 1 0 235.346 3.532 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000132645763 591727210 /nfs/dbraw/zinc/72/72/10/591727210.db2.gz COWVEKULUHYDER-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132645945 591726620 /nfs/dbraw/zinc/72/66/20/591726620.db2.gz COWVEKULUHYDER-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000132646181 591727071 /nfs/dbraw/zinc/72/70/71/591727071.db2.gz COWVEKULUHYDER-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000132646378 591727140 /nfs/dbraw/zinc/72/71/40/591727140.db2.gz COWVEKULUHYDER-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1ccc(F)cc1 ZINC000132647962 191103525 /nfs/dbraw/zinc/10/35/25/191103525.db2.gz CVJDQPBDXFTOEO-CQSZACIVSA-N 1 0 223.335 3.537 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1ccc(F)cc1 ZINC000132648180 191034623 /nfs/dbraw/zinc/03/46/23/191034623.db2.gz CVJDQPBDXFTOEO-AWEZNQCLSA-N 1 0 223.335 3.537 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cccc(Cl)c1Cl ZINC000132648596 191033827 /nfs/dbraw/zinc/03/38/27/191033827.db2.gz RUATUXWBLAJVIV-ZETCQYMHSA-N 1 0 230.138 3.806 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1Cl ZINC000132648774 191034116 /nfs/dbraw/zinc/03/41/16/191034116.db2.gz RUATUXWBLAJVIV-SSDOTTSWSA-N 1 0 230.138 3.806 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000132650967 191034599 /nfs/dbraw/zinc/03/45/99/191034599.db2.gz WTIKYVIGLBQROR-QMMMGPOBSA-N 1 0 235.714 3.899 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000132651171 191034581 /nfs/dbraw/zinc/03/45/81/191034581.db2.gz WTIKYVIGLBQROR-MRVPVSSYSA-N 1 0 235.714 3.899 20 0 BHADRO c1ccc([C@@H](CC2CCC2)[NH2+]C2CC2)cc1 ZINC000132651379 134662985 /nfs/dbraw/zinc/66/29/85/134662985.db2.gz WPSVULGRWDUIKC-OAHLLOKOSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@H](CC2CCC2)[NH2+]C2CC2)cc1 ZINC000132651591 134663103 /nfs/dbraw/zinc/66/31/03/134663103.db2.gz WPSVULGRWDUIKC-HNNXBMFYSA-N 1 0 215.340 3.670 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000132651827 491137691 /nfs/dbraw/zinc/13/76/91/491137691.db2.gz QPVGWIPHTHFCSC-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000132652039 491137658 /nfs/dbraw/zinc/13/76/58/491137658.db2.gz QPVGWIPHTHFCSC-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000132652154 191034337 /nfs/dbraw/zinc/03/43/37/191034337.db2.gz GTAZCMYBQBZGPW-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000132652225 491119951 /nfs/dbraw/zinc/11/99/51/491119951.db2.gz QPVGWIPHTHFCSC-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000132652385 191033667 /nfs/dbraw/zinc/03/36/67/191033667.db2.gz GTAZCMYBQBZGPW-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000132652396 491137662 /nfs/dbraw/zinc/13/76/62/491137662.db2.gz QPVGWIPHTHFCSC-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000132652568 191034476 /nfs/dbraw/zinc/03/44/76/191034476.db2.gz GTAZCMYBQBZGPW-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000132652789 191033878 /nfs/dbraw/zinc/03/38/78/191033878.db2.gz GTAZCMYBQBZGPW-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132653913 358731789 /nfs/dbraw/zinc/73/17/89/358731789.db2.gz FFBSFOASYLCNCI-CQSZACIVSA-N 1 0 221.319 3.593 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000132654113 535294258 /nfs/dbraw/zinc/29/42/58/535294258.db2.gz FFBSFOASYLCNCI-AWEZNQCLSA-N 1 0 221.319 3.593 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000132657654 191034163 /nfs/dbraw/zinc/03/41/63/191034163.db2.gz ZDGCQSRZLORSGT-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000132658067 191033848 /nfs/dbraw/zinc/03/38/48/191033848.db2.gz ZDGCQSRZLORSGT-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1OC ZINC000132658660 191033782 /nfs/dbraw/zinc/03/37/82/191033782.db2.gz ZWQSCCOCRFZQTE-LBPRGKRZSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1OC ZINC000132658870 191034289 /nfs/dbraw/zinc/03/42/89/191034289.db2.gz ZWQSCCOCRFZQTE-GFCCVEGCSA-N 1 0 239.746 3.552 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1cncs1 ZINC000132659729 191033760 /nfs/dbraw/zinc/03/37/60/191033760.db2.gz XXVATPKGEJZOKS-CXQJBGSLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1cncs1 ZINC000132659896 191034317 /nfs/dbraw/zinc/03/43/17/191034317.db2.gz XXVATPKGEJZOKS-MOENNCHZSA-N 1 0 238.400 3.620 20 0 BHADRO Cc1cc2cc([C@@H](C)[NH2+]C3CC3)oc2cc1C ZINC000132660953 325233578 /nfs/dbraw/zinc/23/35/78/325233578.db2.gz WMXQQZKZLBELFE-LLVKDONJSA-N 1 0 229.323 3.863 20 0 BHADRO Cc1cc2cc([C@H](C)[NH2+]C3CC3)oc2cc1C ZINC000132661186 325233756 /nfs/dbraw/zinc/23/37/56/325233756.db2.gz WMXQQZKZLBELFE-NSHDSACASA-N 1 0 229.323 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1F ZINC000132662905 398307818 /nfs/dbraw/zinc/30/78/18/398307818.db2.gz FZGXPJJDQBXKAO-NWDGAFQWSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1F ZINC000132663109 224498764 /nfs/dbraw/zinc/49/87/64/224498764.db2.gz FZGXPJJDQBXKAO-RYUDHWBXSA-N 1 0 235.346 3.973 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000132663245 343188805 /nfs/dbraw/zinc/18/88/05/343188805.db2.gz VPHGUALQGMHUEP-NSHDSACASA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)cc1F ZINC000132663324 224498147 /nfs/dbraw/zinc/49/81/47/224498147.db2.gz FZGXPJJDQBXKAO-VXGBXAGGSA-N 1 0 235.346 3.973 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000132663426 491137704 /nfs/dbraw/zinc/13/77/04/491137704.db2.gz VPHGUALQGMHUEP-LLVKDONJSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)cc1F ZINC000132663545 398307722 /nfs/dbraw/zinc/30/77/22/398307722.db2.gz FZGXPJJDQBXKAO-NEPJUHHUSA-N 1 0 235.346 3.973 20 0 BHADRO CC(C)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000132664127 358732183 /nfs/dbraw/zinc/73/21/83/358732183.db2.gz YVOOKKBKSAARSE-HNNXBMFYSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000132664349 134662943 /nfs/dbraw/zinc/66/29/43/134662943.db2.gz YVOOKKBKSAARSE-OAHLLOKOSA-N 1 0 217.356 3.916 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CC2)c2ccccc12 ZINC000132677473 175188086 /nfs/dbraw/zinc/18/80/86/175188086.db2.gz ISWASMIJXHFSCK-NSHDSACASA-N 1 0 241.334 3.661 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CC2)c2ccccc12 ZINC000132677654 187810624 /nfs/dbraw/zinc/81/06/24/187810624.db2.gz ISWASMIJXHFSCK-LLVKDONJSA-N 1 0 241.334 3.661 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1ccccc1C ZINC000132679564 528922774 /nfs/dbraw/zinc/92/27/74/528922774.db2.gz NFUHJQCFGWXBTK-OAHLLOKOSA-N 1 0 219.372 3.706 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1ccccc1C ZINC000132679754 191103508 /nfs/dbraw/zinc/10/35/08/191103508.db2.gz NFUHJQCFGWXBTK-HNNXBMFYSA-N 1 0 219.372 3.706 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1ccccc1F ZINC000132685182 384201161 /nfs/dbraw/zinc/20/11/61/384201161.db2.gz BGBDQAPQNSAKMI-CYBMUJFWSA-N 1 0 223.335 3.537 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1ccccc1F ZINC000132685389 384200005 /nfs/dbraw/zinc/20/00/05/384200005.db2.gz BGBDQAPQNSAKMI-ZDUSSCGKSA-N 1 0 223.335 3.537 20 0 BHADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC1 ZINC000132687648 384200386 /nfs/dbraw/zinc/20/03/86/384200386.db2.gz JAEPNDXZATZOCE-SECBINFHSA-N 1 0 239.746 3.552 20 0 BHADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC1 ZINC000132687847 384199662 /nfs/dbraw/zinc/19/96/62/384199662.db2.gz JAEPNDXZATZOCE-VIFPVBQESA-N 1 0 239.746 3.552 20 0 BHADRO CCSc1ccccc1[C@@H](C)[NH2+]C1CC1 ZINC000132688948 529257375 /nfs/dbraw/zinc/25/73/75/529257375.db2.gz CVAABVSOJBPOJG-SNVBAGLBSA-N 1 0 221.369 3.612 20 0 BHADRO CCSc1ccccc1[C@H](C)[NH2+]C1CC1 ZINC000132689158 384201226 /nfs/dbraw/zinc/20/12/26/384201226.db2.gz CVAABVSOJBPOJG-JTQLQIEISA-N 1 0 221.369 3.612 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1cccc(F)c1 ZINC000132693615 384200340 /nfs/dbraw/zinc/20/03/40/384200340.db2.gz LBLNMYJZPWWQAM-CQSZACIVSA-N 1 0 223.335 3.537 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cc(Cl)sc1Cl ZINC000132693714 385021869 /nfs/dbraw/zinc/02/18/69/385021869.db2.gz LOJZZSCSGWJYCJ-YFKPBYRVSA-N 1 0 236.167 3.868 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1cccc(F)c1 ZINC000132693842 384201183 /nfs/dbraw/zinc/20/11/83/384201183.db2.gz LBLNMYJZPWWQAM-AWEZNQCLSA-N 1 0 223.335 3.537 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cc(Cl)sc1Cl ZINC000132693925 385022645 /nfs/dbraw/zinc/02/26/45/385022645.db2.gz LOJZZSCSGWJYCJ-RXMQYKEDSA-N 1 0 236.167 3.868 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000132695812 384199465 /nfs/dbraw/zinc/19/94/65/384199465.db2.gz YUCZNDCAXXZISN-UHOFOFEASA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000132696253 384200146 /nfs/dbraw/zinc/20/01/46/384200146.db2.gz YUCZNDCAXXZISN-DAXOMENPSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1OC ZINC000132697476 384200050 /nfs/dbraw/zinc/20/00/50/384200050.db2.gz BOBIJLMXWCZYPU-GUTXKFCHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1OC ZINC000132697905 529322204 /nfs/dbraw/zinc/32/22/04/529322204.db2.gz BOBIJLMXWCZYPU-GZBFAFLISA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000132698296 384200188 /nfs/dbraw/zinc/20/01/88/384200188.db2.gz QYRQBPLXDFCQGH-ZENOOKHLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000132698674 384199573 /nfs/dbraw/zinc/19/95/73/384199573.db2.gz QYRQBPLXDFCQGH-WOSRLPQWSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000132703948 384202394 /nfs/dbraw/zinc/20/23/94/384202394.db2.gz BRELYACUOKRBQI-ZENOOKHLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000132704366 398341149 /nfs/dbraw/zinc/34/11/49/398341149.db2.gz BRELYACUOKRBQI-WOSRLPQWSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cc2c(s1)CCCC2 ZINC000132710130 538110790 /nfs/dbraw/zinc/11/07/90/538110790.db2.gz YWCYAITYCRDFBQ-NSHDSACASA-N 1 0 247.407 3.996 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cc2c(s1)CCCC2 ZINC000132710367 538110745 /nfs/dbraw/zinc/11/07/45/538110745.db2.gz YWCYAITYCRDFBQ-LLVKDONJSA-N 1 0 247.407 3.996 20 0 BHADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC=CC1 ZINC000132714605 591732410 /nfs/dbraw/zinc/73/24/10/591732410.db2.gz CBKKACMVXKYJOI-ZDUSSCGKSA-N 1 0 249.354 3.671 20 0 BHADRO Fc1cccc2c1SCC[C@H]2[NH2+]C1CC=CC1 ZINC000132714796 591732367 /nfs/dbraw/zinc/73/23/67/591732367.db2.gz CBKKACMVXKYJOI-CYBMUJFWSA-N 1 0 249.354 3.671 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc2c(c1)CCCC2 ZINC000132716195 538110764 /nfs/dbraw/zinc/11/07/64/538110764.db2.gz DFVMYGBVZVOLJO-ZDUSSCGKSA-N 1 0 241.378 3.935 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc2c(c1)CCCC2 ZINC000132716509 538110783 /nfs/dbraw/zinc/11/07/83/538110783.db2.gz DFVMYGBVZVOLJO-CYBMUJFWSA-N 1 0 241.378 3.935 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+]C2CC=CC2)cc1C ZINC000132717976 538110750 /nfs/dbraw/zinc/11/07/50/538110750.db2.gz FNZXAWJOWLQNHF-CQSZACIVSA-N 1 0 229.367 3.981 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+]C2CC=CC2)cc1C ZINC000132718174 538110752 /nfs/dbraw/zinc/11/07/52/538110752.db2.gz FNZXAWJOWLQNHF-AWEZNQCLSA-N 1 0 229.367 3.981 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000132718374 538110784 /nfs/dbraw/zinc/11/07/84/538110784.db2.gz GGRGAQPLMFPVHW-CYBMUJFWSA-N 1 0 245.366 3.845 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000132718586 538110785 /nfs/dbraw/zinc/11/07/85/538110785.db2.gz GGRGAQPLMFPVHW-ZDUSSCGKSA-N 1 0 245.366 3.845 20 0 BHADRO C[C@@H]([NH2+]C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000132719191 398341158 /nfs/dbraw/zinc/34/11/58/398341158.db2.gz OZIVZJDHBGJCIG-NXEZZACHSA-N 1 0 246.379 3.540 20 0 BHADRO C[C@@H]([NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000132719398 177054047 /nfs/dbraw/zinc/05/40/47/177054047.db2.gz OZIVZJDHBGJCIG-VHSXEESVSA-N 1 0 246.379 3.540 20 0 BHADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC1 ZINC000132719610 398341183 /nfs/dbraw/zinc/34/11/83/398341183.db2.gz OZIVZJDHBGJCIG-ZJUUUORDSA-N 1 0 246.379 3.540 20 0 BHADRO C[C@H]([NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000132719820 398341067 /nfs/dbraw/zinc/34/10/67/398341067.db2.gz OZIVZJDHBGJCIG-UWVGGRQHSA-N 1 0 246.379 3.540 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCOC1CCCCC1 ZINC000132719916 205479560 /nfs/dbraw/zinc/47/95/60/205479560.db2.gz LLPDLCCHBFMCBD-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000132720061 205479943 /nfs/dbraw/zinc/47/99/43/205479943.db2.gz IHVDLDHOAHYTTH-CYBMUJFWSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[C@H](CC)[NH2+]CCOC1CCCCC1 ZINC000132720102 384203179 /nfs/dbraw/zinc/20/31/79/384203179.db2.gz LLPDLCCHBFMCBD-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000132720259 205480047 /nfs/dbraw/zinc/48/00/47/205480047.db2.gz IHVDLDHOAHYTTH-ZDUSSCGKSA-N 1 0 249.398 3.886 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CSc2ccccc21 ZINC000132723180 191035456 /nfs/dbraw/zinc/03/54/56/191035456.db2.gz XUKNIMOCJJQPLV-GFCCVEGCSA-N 1 0 235.396 3.859 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CSc2ccccc21 ZINC000132723386 191035617 /nfs/dbraw/zinc/03/56/17/191035617.db2.gz XUKNIMOCJJQPLV-LBPRGKRZSA-N 1 0 235.396 3.859 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cnc(C(C)C)s1 ZINC000132723476 191035304 /nfs/dbraw/zinc/03/53/04/191035304.db2.gz DHRGDZMZHAFQHF-UHFFFAOYSA-N 1 0 240.416 3.935 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)CC1CCC1 ZINC000132730516 538110795 /nfs/dbraw/zinc/11/07/95/538110795.db2.gz WQLPXXFVPQASLW-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)CC1CCC1 ZINC000132730690 538110794 /nfs/dbraw/zinc/11/07/94/538110794.db2.gz WQLPXXFVPQASLW-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CC(C)(C)OC)cc1 ZINC000132731385 191035495 /nfs/dbraw/zinc/03/54/95/191035495.db2.gz SDBYAPIEWAQGQJ-CYBMUJFWSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CC(C)(C)OC)cc1 ZINC000132731638 191034992 /nfs/dbraw/zinc/03/49/92/191034992.db2.gz SDBYAPIEWAQGQJ-ZDUSSCGKSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CC(C)(C)OC)cc1 ZINC000132732763 134666163 /nfs/dbraw/zinc/66/61/63/134666163.db2.gz FAYDMCXEXWWFRK-OAHLLOKOSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CC(C)(C)OC)cc1 ZINC000132732977 358735223 /nfs/dbraw/zinc/73/52/23/358735223.db2.gz FAYDMCXEXWWFRK-HNNXBMFYSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000132740422 191035467 /nfs/dbraw/zinc/03/54/67/191035467.db2.gz OXKUHMPGLJCCJT-QEJZJMRPSA-N 1 0 217.356 3.773 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000132740845 191035443 /nfs/dbraw/zinc/03/54/43/191035443.db2.gz OXKUHMPGLJCCJT-CFVMTHIKSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)CC[N@H+](C)CCCCC(F)(F)F ZINC000132741762 491138116 /nfs/dbraw/zinc/13/81/16/491138116.db2.gz HOLCGLFEZQIHFI-UHFFFAOYSA-N 1 0 225.298 3.697 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CC1)c1cccs1 ZINC000132742777 191034978 /nfs/dbraw/zinc/03/49/78/191034978.db2.gz HKNDYSQBOMZYTC-NSHDSACASA-N 1 0 209.358 3.587 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CC1)c1cccs1 ZINC000132742980 191035236 /nfs/dbraw/zinc/03/52/36/191035236.db2.gz HKNDYSQBOMZYTC-LLVKDONJSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000132743042 191035281 /nfs/dbraw/zinc/03/52/81/191035281.db2.gz ZYOFLVRBYFATAZ-YDHLFZDLSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000132743443 191035629 /nfs/dbraw/zinc/03/56/29/191035629.db2.gz ZYOFLVRBYFATAZ-KCQAQPDRSA-N 1 0 217.356 3.610 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000132747150 191035349 /nfs/dbraw/zinc/03/53/49/191035349.db2.gz XWKWHQGYCINNAR-HUBLWGQQSA-N 1 0 217.356 3.556 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000132747542 191035609 /nfs/dbraw/zinc/03/56/09/191035609.db2.gz XWKWHQGYCINNAR-SLEUVZQESA-N 1 0 217.356 3.556 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000132747584 358735432 /nfs/dbraw/zinc/73/54/32/358735432.db2.gz NAPSFZPLSVXWON-NSHDSACASA-N 1 0 247.338 3.508 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000132747793 358735176 /nfs/dbraw/zinc/73/51/76/358735176.db2.gz NAPSFZPLSVXWON-LLVKDONJSA-N 1 0 247.338 3.508 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c(C)s1 ZINC000132748028 191035398 /nfs/dbraw/zinc/03/53/98/191035398.db2.gz FHOWHOZOJNGXLE-PEXQALLHSA-N 1 0 223.385 3.672 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000132748415 191035497 /nfs/dbraw/zinc/03/54/97/191035497.db2.gz WYPFLXLVBUVNQO-CQSZACIVSA-N 1 0 249.398 3.687 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c(C)s1 ZINC000132748437 191035064 /nfs/dbraw/zinc/03/50/64/191035064.db2.gz FHOWHOZOJNGXLE-PTOFAABTSA-N 1 0 223.385 3.672 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000132748590 191035490 /nfs/dbraw/zinc/03/54/90/191035490.db2.gz WYPFLXLVBUVNQO-AWEZNQCLSA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000132748677 191035619 /nfs/dbraw/zinc/03/56/19/191035619.db2.gz XQSDLQNFKNTLEI-QEJZJMRPSA-N 1 0 217.356 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000132749017 191035302 /nfs/dbraw/zinc/03/53/02/191035302.db2.gz XQSDLQNFKNTLEI-CFVMTHIKSA-N 1 0 217.356 3.692 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCc2ccsc2C1 ZINC000132755334 325243728 /nfs/dbraw/zinc/24/37/28/325243728.db2.gz SQOKEJXDERMGCL-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCc2ccsc2C1 ZINC000132755525 325243580 /nfs/dbraw/zinc/24/35/80/325243580.db2.gz SQOKEJXDERMGCL-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000132757626 191035369 /nfs/dbraw/zinc/03/53/69/191035369.db2.gz WSJLUTOIRIOUJX-HRDYMLBCSA-N 1 0 229.776 3.708 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000132757824 191035186 /nfs/dbraw/zinc/03/51/86/191035186.db2.gz WSJLUTOIRIOUJX-XHNCKOQMSA-N 1 0 229.776 3.708 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000132758013 191035579 /nfs/dbraw/zinc/03/55/79/191035579.db2.gz WSJLUTOIRIOUJX-VGMNWLOBSA-N 1 0 229.776 3.708 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000132758200 191035527 /nfs/dbraw/zinc/03/55/27/191035527.db2.gz WSJLUTOIRIOUJX-CIUDSAMLSA-N 1 0 229.776 3.708 20 0 BHADRO Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)nc1 ZINC000132760789 358736215 /nfs/dbraw/zinc/73/62/15/358736215.db2.gz NXMCQOGWLHQNKF-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000132760928 191035329 /nfs/dbraw/zinc/03/53/29/191035329.db2.gz URPQISYANQRGPB-IHRRRGAJSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000132761334 191035100 /nfs/dbraw/zinc/03/51/00/191035100.db2.gz URPQISYANQRGPB-MELADBBJSA-N 1 0 217.356 3.610 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000132761548 191035153 /nfs/dbraw/zinc/03/51/53/191035153.db2.gz XUYAXOSCVYRBJF-KXUCPTDWSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000132761747 384204485 /nfs/dbraw/zinc/20/44/85/384204485.db2.gz XUYAXOSCVYRBJF-LPEHRKFASA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000132761935 384204949 /nfs/dbraw/zinc/20/49/49/384204949.db2.gz XUYAXOSCVYRBJF-UTLUCORTSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000132762110 384204073 /nfs/dbraw/zinc/20/40/73/384204073.db2.gz XUYAXOSCVYRBJF-GUBZILKMSA-N 1 0 241.737 3.786 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1C ZINC000132768430 384204311 /nfs/dbraw/zinc/20/43/11/384204311.db2.gz VBOUSRFSGKKZLD-YDHLFZDLSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1C ZINC000132768864 384204933 /nfs/dbraw/zinc/20/49/33/384204933.db2.gz VBOUSRFSGKKZLD-KCQAQPDRSA-N 1 0 217.356 3.610 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000132769125 384204578 /nfs/dbraw/zinc/20/45/78/384204578.db2.gz LUPMLNGLMRDHAX-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000132769527 384205294 /nfs/dbraw/zinc/20/52/94/384205294.db2.gz LUPMLNGLMRDHAX-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000132782124 384204785 /nfs/dbraw/zinc/20/47/85/384204785.db2.gz SMNTXQVCQWWDDU-WCABBAIRSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000132782317 384205170 /nfs/dbraw/zinc/20/51/70/384205170.db2.gz SMNTXQVCQWWDDU-ATZCPNFKSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000132782521 200673494 /nfs/dbraw/zinc/67/34/94/200673494.db2.gz SMNTXQVCQWWDDU-YWVKMMECSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000132782717 200674046 /nfs/dbraw/zinc/67/40/46/200674046.db2.gz SMNTXQVCQWWDDU-QXEWZRGKSA-N 1 0 241.737 3.786 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c(C)c1 ZINC000132793478 191035430 /nfs/dbraw/zinc/03/54/30/191035430.db2.gz XIUFLRYRIOQMJG-UBHSHLNASA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c(C)c1 ZINC000132793819 191035536 /nfs/dbraw/zinc/03/55/36/191035536.db2.gz XIUFLRYRIOQMJG-FPMFFAJLSA-N 1 0 217.356 3.610 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000132793936 191035588 /nfs/dbraw/zinc/03/55/88/191035588.db2.gz QEVRUIQWVWFNQE-ZETCQYMHSA-N 1 0 230.138 3.806 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000132794180 191035481 /nfs/dbraw/zinc/03/54/81/191035481.db2.gz QEVRUIQWVWFNQE-SSDOTTSWSA-N 1 0 230.138 3.806 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(SC(F)F)cc1 ZINC000132796107 591737877 /nfs/dbraw/zinc/73/78/77/591737877.db2.gz JLJFHIIVEKOQIL-QMMMGPOBSA-N 1 0 243.322 3.814 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(SC(F)F)cc1 ZINC000132796313 591737757 /nfs/dbraw/zinc/73/77/57/591737757.db2.gz JLJFHIIVEKOQIL-MRVPVSSYSA-N 1 0 243.322 3.814 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(-c2ccccc2)o1 ZINC000132799363 323129982 /nfs/dbraw/zinc/12/99/82/323129982.db2.gz RAQQAPGUZSOSNO-NSHDSACASA-N 1 0 227.307 3.760 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(-c2ccccc2)o1 ZINC000132799584 325246526 /nfs/dbraw/zinc/24/65/26/325246526.db2.gz RAQQAPGUZSOSNO-LLVKDONJSA-N 1 0 227.307 3.760 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000132804758 191035241 /nfs/dbraw/zinc/03/52/41/191035241.db2.gz MRQOEQHSYCIBER-JFGNBEQYSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000132804979 191035141 /nfs/dbraw/zinc/03/51/41/191035141.db2.gz MRQOEQHSYCIBER-JBLDHEPKSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000132805176 191035363 /nfs/dbraw/zinc/03/53/63/191035363.db2.gz MRQOEQHSYCIBER-SCVCMEIPSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000132805387 191034982 /nfs/dbraw/zinc/03/49/82/191034982.db2.gz MRQOEQHSYCIBER-NHCYSSNCSA-N 1 0 223.747 3.647 20 0 BHADRO CC(C)c1ncc(C[NH2+]CCCC2CC2)s1 ZINC000132805709 645855396 /nfs/dbraw/zinc/85/53/96/645855396.db2.gz NAZOTEJIAVANHD-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000132809895 345346504 /nfs/dbraw/zinc/34/65/04/345346504.db2.gz LYIFWUODRDKUPB-JKOKRWQUSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000132810298 358737241 /nfs/dbraw/zinc/73/72/41/358737241.db2.gz LYIFWUODRDKUPB-SUHUHFCYSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000132813205 191035175 /nfs/dbraw/zinc/03/51/75/191035175.db2.gz BNALIOGXXHAEDT-GLXFQSAKSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000132813572 191035116 /nfs/dbraw/zinc/03/51/16/191035116.db2.gz BNALIOGXXHAEDT-OLUVUFQESA-N 1 0 235.758 3.573 20 0 BHADRO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C1CC1 ZINC000132816619 191035162 /nfs/dbraw/zinc/03/51/62/191035162.db2.gz HHMRUZZEVAYXFU-LLVKDONJSA-N 1 0 242.149 3.733 20 0 BHADRO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C1CC1 ZINC000132816839 191035551 /nfs/dbraw/zinc/03/55/51/191035551.db2.gz HHMRUZZEVAYXFU-NSHDSACASA-N 1 0 242.149 3.733 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cccc(-c2ccncc2)c1 ZINC000132821379 176828839 /nfs/dbraw/zinc/82/88/39/176828839.db2.gz GJUUBEXYEYZLRS-LBPRGKRZSA-N 1 0 238.334 3.562 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cccc(-c2ccncc2)c1 ZINC000132821589 384255457 /nfs/dbraw/zinc/25/54/57/384255457.db2.gz GJUUBEXYEYZLRS-GFCCVEGCSA-N 1 0 238.334 3.562 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)s1 ZINC000132823195 191035312 /nfs/dbraw/zinc/03/53/12/191035312.db2.gz UBYHBNDSHSTJIW-DCAQKATOSA-N 1 0 223.385 3.617 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)s1 ZINC000132823620 191035181 /nfs/dbraw/zinc/03/51/81/191035181.db2.gz UBYHBNDSHSTJIW-GARJFASQSA-N 1 0 223.385 3.617 20 0 BHADRO Oc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000132827981 134667500 /nfs/dbraw/zinc/66/75/00/134667500.db2.gz LQSWUOVXFDSPKC-MRXNPFEDSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000132828203 358736747 /nfs/dbraw/zinc/73/67/47/358736747.db2.gz LQSWUOVXFDSPKC-INIZCTEOSA-N 1 0 245.366 3.547 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1cccs1 ZINC000132832528 410101790 /nfs/dbraw/zinc/10/17/90/410101790.db2.gz NHJRXWVAMLBDFG-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccs1 ZINC000132832761 410100482 /nfs/dbraw/zinc/10/04/82/410100482.db2.gz NHJRXWVAMLBDFG-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1cccs1 ZINC000132833014 410102181 /nfs/dbraw/zinc/10/21/81/410102181.db2.gz NHJRXWVAMLBDFG-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1cccs1 ZINC000132833188 398308761 /nfs/dbraw/zinc/30/87/61/398308761.db2.gz NHJRXWVAMLBDFG-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(C)C ZINC000132839182 191035745 /nfs/dbraw/zinc/03/57/45/191035745.db2.gz OYWCYPDQAHYOHC-JTQLQIEISA-N 1 0 225.763 3.864 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(C)C ZINC000132839370 191035681 /nfs/dbraw/zinc/03/56/81/191035681.db2.gz OYWCYPDQAHYOHC-SNVBAGLBSA-N 1 0 225.763 3.864 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000132840007 191035748 /nfs/dbraw/zinc/03/57/48/191035748.db2.gz JJMHVNVYEWDQKS-LBPRGKRZSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000132840192 191035769 /nfs/dbraw/zinc/03/57/69/191035769.db2.gz JJMHVNVYEWDQKS-GFCCVEGCSA-N 1 0 205.345 3.519 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)(C)C ZINC000132841292 191035752 /nfs/dbraw/zinc/03/57/52/191035752.db2.gz MPRXFCRPLOPDOV-QMMMGPOBSA-N 1 0 231.792 3.926 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)(C)C ZINC000132841495 191035779 /nfs/dbraw/zinc/03/57/79/191035779.db2.gz MPRXFCRPLOPDOV-MRVPVSSYSA-N 1 0 231.792 3.926 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000132842124 371933227 /nfs/dbraw/zinc/93/32/27/371933227.db2.gz LDYOXHNHFVMJID-ZDUSSCGKSA-N 1 0 219.372 3.828 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000132842302 371933039 /nfs/dbraw/zinc/93/30/39/371933039.db2.gz LDYOXHNHFVMJID-CYBMUJFWSA-N 1 0 219.372 3.828 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000132844369 541330655 /nfs/dbraw/zinc/33/06/55/541330655.db2.gz ZZVPSGKLTSJLRT-LBPRGKRZSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000132844579 487906821 /nfs/dbraw/zinc/90/68/21/487906821.db2.gz ZZVPSGKLTSJLRT-GFCCVEGCSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000132844792 487906806 /nfs/dbraw/zinc/90/68/06/487906806.db2.gz XHRLFGKNOLISTQ-LBPRGKRZSA-N 1 0 205.345 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000132845005 219836966 /nfs/dbraw/zinc/83/69/66/219836966.db2.gz XHRLFGKNOLISTQ-GFCCVEGCSA-N 1 0 205.345 3.519 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cncs1 ZINC000132847396 487906707 /nfs/dbraw/zinc/90/67/07/487906707.db2.gz QJGKMBPEJRFQCC-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1cncs1 ZINC000132847612 219837143 /nfs/dbraw/zinc/83/71/43/219837143.db2.gz QJGKMBPEJRFQCC-SDDRHHMPSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1cncs1 ZINC000132847821 384216888 /nfs/dbraw/zinc/21/68/88/384216888.db2.gz QJGKMBPEJRFQCC-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cncs1 ZINC000132848044 219836800 /nfs/dbraw/zinc/83/68/00/219836800.db2.gz QJGKMBPEJRFQCC-SRVKXCTJSA-N 1 0 238.400 3.620 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C(C)(C)C)s1 ZINC000132850076 219836701 /nfs/dbraw/zinc/83/67/01/219836701.db2.gz ZHBNDRMTTGKFHS-JTQLQIEISA-N 1 0 225.401 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000132850263 384216686 /nfs/dbraw/zinc/21/66/86/384216686.db2.gz ZHBNDRMTTGKFHS-SNVBAGLBSA-N 1 0 225.401 3.835 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000132853623 384217783 /nfs/dbraw/zinc/21/77/83/384217783.db2.gz UKVXVFYAKLFTBF-YKWSONSWSA-N 1 0 217.356 3.724 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000132853802 384217408 /nfs/dbraw/zinc/21/74/08/384217408.db2.gz UKVXVFYAKLFTBF-RUNBWSAHSA-N 1 0 217.356 3.724 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1F ZINC000132854011 384216147 /nfs/dbraw/zinc/21/61/47/384216147.db2.gz NIDPNMOAOZPCLL-NSHDSACASA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1F ZINC000132854192 384217446 /nfs/dbraw/zinc/21/74/46/384217446.db2.gz NIDPNMOAOZPCLL-LLVKDONJSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1F ZINC000132856193 384216934 /nfs/dbraw/zinc/21/69/34/384216934.db2.gz NZSWDVLOTVZCEA-NSHDSACASA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1F ZINC000132856407 384216553 /nfs/dbraw/zinc/21/65/53/384216553.db2.gz NZSWDVLOTVZCEA-LLVKDONJSA-N 1 0 223.335 3.658 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CCC1 ZINC000132859672 384217001 /nfs/dbraw/zinc/21/70/01/384217001.db2.gz NUEVQJHMRBOSQJ-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000132872212 491140766 /nfs/dbraw/zinc/14/07/66/491140766.db2.gz KZSVUCILXXXAAP-JSGCOSHPSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000132872398 491140772 /nfs/dbraw/zinc/14/07/72/491140772.db2.gz KZSVUCILXXXAAP-OCCSQVGLSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000132872595 491140764 /nfs/dbraw/zinc/14/07/64/491140764.db2.gz KZSVUCILXXXAAP-GXTWGEPZSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000132872793 491140805 /nfs/dbraw/zinc/14/08/05/491140805.db2.gz KZSVUCILXXXAAP-TZMCWYRMSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000132874282 384217480 /nfs/dbraw/zinc/21/74/80/384217480.db2.gz LWESDKUKDFVRSA-MJBXVCDLSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000132874663 219836385 /nfs/dbraw/zinc/83/63/85/219836385.db2.gz LWESDKUKDFVRSA-BFHYXJOUSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1)C(C)(C)C ZINC000132876980 384217925 /nfs/dbraw/zinc/21/79/25/384217925.db2.gz NQNXXRSKGJXVEZ-ZDUSSCGKSA-N 1 0 219.372 3.643 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1)C(C)(C)C ZINC000132877181 384215982 /nfs/dbraw/zinc/21/59/82/384215982.db2.gz NQNXXRSKGJXVEZ-CYBMUJFWSA-N 1 0 219.372 3.643 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CCC1 ZINC000132887011 491141544 /nfs/dbraw/zinc/14/15/44/491141544.db2.gz FSKLTVSCOIJJEL-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CCC1 ZINC000132887228 491141551 /nfs/dbraw/zinc/14/15/51/491141551.db2.gz FSKLTVSCOIJJEL-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000132907585 200673736 /nfs/dbraw/zinc/67/37/36/200673736.db2.gz TYSDRSBUMPWOPP-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000132907790 384214584 /nfs/dbraw/zinc/21/45/84/384214584.db2.gz TYSDRSBUMPWOPP-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000132907999 200673814 /nfs/dbraw/zinc/67/38/14/200673814.db2.gz TYSDRSBUMPWOPP-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000132908212 200673862 /nfs/dbraw/zinc/67/38/62/200673862.db2.gz TYSDRSBUMPWOPP-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)s1 ZINC000132911118 582741282 /nfs/dbraw/zinc/74/12/82/582741282.db2.gz KKVIWBZCNAHQLW-MWLCHTKSSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)s1 ZINC000132911309 491142095 /nfs/dbraw/zinc/14/20/95/491142095.db2.gz KKVIWBZCNAHQLW-KOLCDFICSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)s1 ZINC000132911547 491142116 /nfs/dbraw/zinc/14/21/16/491142116.db2.gz KKVIWBZCNAHQLW-GXSJLCMTSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)s1 ZINC000132911751 582741398 /nfs/dbraw/zinc/74/13/98/582741398.db2.gz KKVIWBZCNAHQLW-ONGXEEELSA-N 1 0 223.385 3.753 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000132915334 200673552 /nfs/dbraw/zinc/67/35/52/200673552.db2.gz XBSDBSQJDXOGLC-STQMWFEESA-N 1 0 219.372 3.814 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000132915540 200673949 /nfs/dbraw/zinc/67/39/49/200673949.db2.gz XBSDBSQJDXOGLC-OLZOCXBDSA-N 1 0 219.372 3.814 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000132915747 388371858 /nfs/dbraw/zinc/37/18/58/388371858.db2.gz XBSDBSQJDXOGLC-QWHCGFSZSA-N 1 0 219.372 3.814 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)(C)C ZINC000132915949 388371299 /nfs/dbraw/zinc/37/12/99/388371299.db2.gz XBSDBSQJDXOGLC-CHWSQXEVSA-N 1 0 219.372 3.814 20 0 BHADRO C[C@H]([NH2+]CCSc1ccccc1)C(C)(C)C ZINC000132923027 384213864 /nfs/dbraw/zinc/21/38/64/384213864.db2.gz FFAYSLUVYJCNSZ-LBPRGKRZSA-N 1 0 237.412 3.803 20 0 BHADRO C[C@@H]([NH2+]CCSc1ccccc1)C(C)(C)C ZINC000132923261 200673574 /nfs/dbraw/zinc/67/35/74/200673574.db2.gz FFAYSLUVYJCNSZ-GFCCVEGCSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1cccs1 ZINC000132925268 491143088 /nfs/dbraw/zinc/14/30/88/491143088.db2.gz GDVYHVJMDGMTLF-PWSUYJOCSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccs1 ZINC000132925447 491143163 /nfs/dbraw/zinc/14/31/63/491143163.db2.gz GDVYHVJMDGMTLF-ZYHUDNBSSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1cccs1 ZINC000132925649 491143133 /nfs/dbraw/zinc/14/31/33/491143133.db2.gz GDVYHVJMDGMTLF-JQWIXIFHSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1cccs1 ZINC000132925851 491143101 /nfs/dbraw/zinc/14/31/01/491143101.db2.gz GDVYHVJMDGMTLF-CMPLNLGQSA-N 1 0 223.385 3.835 20 0 BHADRO CCCCC[NH2+]Cc1c(Cl)cccc1OC ZINC000132926084 384214188 /nfs/dbraw/zinc/21/41/88/384214188.db2.gz UNWLKPJVOPQVFG-UHFFFAOYSA-N 1 0 241.762 3.628 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132929366 491143168 /nfs/dbraw/zinc/14/31/68/491143168.db2.gz YOAUFTIBEVZZFQ-GHMZBOCLSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132929545 491143193 /nfs/dbraw/zinc/14/31/93/491143193.db2.gz YOAUFTIBEVZZFQ-MNOVXSKESA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132929740 491143195 /nfs/dbraw/zinc/14/31/95/491143195.db2.gz YOAUFTIBEVZZFQ-WDEREUQCSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132929962 491143170 /nfs/dbraw/zinc/14/31/70/491143170.db2.gz YOAUFTIBEVZZFQ-QWRGUYRKSA-N 1 0 223.385 3.753 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cccc(O)c1 ZINC000132931217 191036546 /nfs/dbraw/zinc/03/65/46/191036546.db2.gz VFRWMAQWNNNRBO-UHFFFAOYSA-N 1 0 235.371 3.650 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000132941654 491143202 /nfs/dbraw/zinc/14/32/02/491143202.db2.gz ZBSXSMKHNFPYHD-GXFFZTMASA-N 1 0 235.396 3.761 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000132941861 491143199 /nfs/dbraw/zinc/14/31/99/491143199.db2.gz ZBSXSMKHNFPYHD-ZWNOBZJWSA-N 1 0 235.396 3.761 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000132942078 491143174 /nfs/dbraw/zinc/14/31/74/491143174.db2.gz ZBSXSMKHNFPYHD-GWCFXTLKSA-N 1 0 235.396 3.761 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000132942281 491143183 /nfs/dbraw/zinc/14/31/83/491143183.db2.gz ZBSXSMKHNFPYHD-MFKMUULPSA-N 1 0 235.396 3.761 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000132955840 491143811 /nfs/dbraw/zinc/14/38/11/491143811.db2.gz HVWZSEWCJFCXFY-CHWSQXEVSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000132956044 491143788 /nfs/dbraw/zinc/14/37/88/491143788.db2.gz HVWZSEWCJFCXFY-OLZOCXBDSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000132956245 491143799 /nfs/dbraw/zinc/14/37/99/491143799.db2.gz HVWZSEWCJFCXFY-QWHCGFSZSA-N 1 0 217.356 3.692 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000132956406 491143813 /nfs/dbraw/zinc/14/38/13/491143813.db2.gz HVWZSEWCJFCXFY-STQMWFEESA-N 1 0 217.356 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)C1CC1 ZINC000132961803 491143928 /nfs/dbraw/zinc/14/39/28/491143928.db2.gz YTVLCFRIGWTOEY-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)C1CC1 ZINC000132961993 582901432 /nfs/dbraw/zinc/90/14/32/582901432.db2.gz YTVLCFRIGWTOEY-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)C1CC1 ZINC000132962141 582901321 /nfs/dbraw/zinc/90/13/21/582901321.db2.gz YTVLCFRIGWTOEY-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)C1CC1 ZINC000132962353 491143990 /nfs/dbraw/zinc/14/39/90/491143990.db2.gz YTVLCFRIGWTOEY-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC[NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000132974015 343189223 /nfs/dbraw/zinc/18/92/23/343189223.db2.gz QSVKTPSFFCGNKB-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO C[C@H](CC[NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000132974225 343189212 /nfs/dbraw/zinc/18/92/12/343189212.db2.gz QSVKTPSFFCGNKB-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CCOc1ccccc1C[NH2+]CC(CC)CC ZINC000132976987 384219608 /nfs/dbraw/zinc/21/96/08/384219608.db2.gz FAIOETSHZNOQPO-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c(C)o1 ZINC000132998857 191104203 /nfs/dbraw/zinc/10/42/03/191104203.db2.gz AYHHNMLQZOLSOR-WDEREUQCSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCC2)c(C)o1 ZINC000132999064 219837011 /nfs/dbraw/zinc/83/70/11/219837011.db2.gz AYHHNMLQZOLSOR-QWRGUYRKSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCC2)c(C)o1 ZINC000132999293 219836090 /nfs/dbraw/zinc/83/60/90/219836090.db2.gz AYHHNMLQZOLSOR-GHMZBOCLSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CCC2)c(C)o1 ZINC000132999480 191104161 /nfs/dbraw/zinc/10/41/61/191104161.db2.gz AYHHNMLQZOLSOR-MNOVXSKESA-N 1 0 221.344 3.736 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000133007510 371967917 /nfs/dbraw/zinc/96/79/17/371967917.db2.gz XXKFZZAXBWCGML-CYBMUJFWSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1 ZINC000133007705 371968165 /nfs/dbraw/zinc/96/81/65/371968165.db2.gz XXKFZZAXBWCGML-ZDUSSCGKSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000133012503 371967928 /nfs/dbraw/zinc/96/79/28/371967928.db2.gz HQGBYLDKWFRWNA-GYSYKLTISA-N 1 0 233.355 3.539 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000133012718 371967978 /nfs/dbraw/zinc/96/79/78/371967978.db2.gz HQGBYLDKWFRWNA-WDMOLILDSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000133012928 371967527 /nfs/dbraw/zinc/96/75/27/371967527.db2.gz HQGBYLDKWFRWNA-JTNHKYCSSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000133013086 371968292 /nfs/dbraw/zinc/96/82/92/371968292.db2.gz HQGBYLDKWFRWNA-MISXGVKJSA-N 1 0 233.355 3.539 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000133013447 358743467 /nfs/dbraw/zinc/74/34/67/358743467.db2.gz ZHYVCIAWUUMBIF-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000133013586 358743258 /nfs/dbraw/zinc/74/32/58/358743258.db2.gz ZHYVCIAWUUMBIF-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000133013773 358743202 /nfs/dbraw/zinc/74/32/02/358743202.db2.gz ZHYVCIAWUUMBIF-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000133013964 358743486 /nfs/dbraw/zinc/74/34/86/358743486.db2.gz ZHYVCIAWUUMBIF-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000133015123 371969354 /nfs/dbraw/zinc/96/93/54/371969354.db2.gz VYBWKNVHZHXEFE-CYBMUJFWSA-N 1 0 231.383 3.946 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@H](C)C2CC2)cc1 ZINC000133015334 371970029 /nfs/dbraw/zinc/97/00/29/371970029.db2.gz VYBWKNVHZHXEFE-ZDUSSCGKSA-N 1 0 231.383 3.946 20 0 BHADRO C[C@H]([NH2+]Cc1c(F)cccc1Cl)C1CCC1 ZINC000133016632 491127538 /nfs/dbraw/zinc/12/75/38/491127538.db2.gz OCCQULHZRNBQSM-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C1CCC1 ZINC000133016833 491127562 /nfs/dbraw/zinc/12/75/62/491127562.db2.gz OCCQULHZRNBQSM-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000133017969 491145343 /nfs/dbraw/zinc/14/53/43/491145343.db2.gz NKPAZRGXDWDWNB-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000133018090 491145351 /nfs/dbraw/zinc/14/53/51/491145351.db2.gz NKPAZRGXDWDWNB-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@@H](C)C2CC2)c(C)c1 ZINC000133026789 371974696 /nfs/dbraw/zinc/97/46/96/371974696.db2.gz DBAYNBURLLJEPR-CQSZACIVSA-N 1 0 231.383 3.748 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@H](C)C2CC2)c(C)c1 ZINC000133026989 371973762 /nfs/dbraw/zinc/97/37/62/371973762.db2.gz DBAYNBURLLJEPR-AWEZNQCLSA-N 1 0 231.383 3.748 20 0 BHADRO CC(C)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000133028426 591757052 /nfs/dbraw/zinc/75/70/52/591757052.db2.gz NJKKKIWDDTVGBQ-UHFFFAOYSA-N 1 0 232.371 3.743 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000133032706 371974913 /nfs/dbraw/zinc/97/49/13/371974913.db2.gz AZIKNITYALQBNV-ZDUSSCGKSA-N 1 0 239.362 3.976 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000133032894 345356450 /nfs/dbraw/zinc/35/64/50/345356450.db2.gz AZIKNITYALQBNV-CYBMUJFWSA-N 1 0 239.362 3.976 20 0 BHADRO C[C@H]([NH2+]CCOC(C)(C)C)C1CCCCCC1 ZINC000133038336 325261530 /nfs/dbraw/zinc/26/15/30/325261530.db2.gz LSKSJOPZXWXCFV-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+]CCOC(C)(C)C)C1CCCCCC1 ZINC000133038517 325261407 /nfs/dbraw/zinc/26/14/07/325261407.db2.gz LSKSJOPZXWXCFV-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000133043142 200675407 /nfs/dbraw/zinc/67/54/07/200675407.db2.gz JNHSKEJJUISHEH-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000133043323 398309325 /nfs/dbraw/zinc/30/93/25/398309325.db2.gz JNHSKEJJUISHEH-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000133043539 200675282 /nfs/dbraw/zinc/67/52/82/200675282.db2.gz JNHSKEJJUISHEH-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000133043736 191036619 /nfs/dbraw/zinc/03/66/19/191036619.db2.gz JNHSKEJJUISHEH-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000133044384 191104108 /nfs/dbraw/zinc/10/41/08/191104108.db2.gz KNVZSWVSWITLKO-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]CC1CCCC1 ZINC000133044815 191036387 /nfs/dbraw/zinc/03/63/87/191036387.db2.gz KGZJNRZLWJNBEL-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000133046135 191035931 /nfs/dbraw/zinc/03/59/31/191035931.db2.gz PNHFVEYCVOUNJW-SECBINFHSA-N 1 0 229.726 3.615 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000133046330 191036350 /nfs/dbraw/zinc/03/63/50/191036350.db2.gz PNHFVEYCVOUNJW-VIFPVBQESA-N 1 0 229.726 3.615 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000133046744 191036394 /nfs/dbraw/zinc/03/63/94/191036394.db2.gz GVRQGLHJVHVASS-SKDRFNHKSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000133046949 191037023 /nfs/dbraw/zinc/03/70/23/191037023.db2.gz GVRQGLHJVHVASS-CABZTGNLSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000133047167 191036254 /nfs/dbraw/zinc/03/62/54/191036254.db2.gz GVRQGLHJVHVASS-BXKDBHETSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@@H](C)C2CC2)cc1C ZINC000133047284 371978229 /nfs/dbraw/zinc/97/82/29/371978229.db2.gz BDFZRDIRTMQWAV-CQSZACIVSA-N 1 0 231.383 3.748 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000133047374 191037013 /nfs/dbraw/zinc/03/70/13/191037013.db2.gz GVRQGLHJVHVASS-JOYOIKCWSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+]C[C@H](C)C2CC2)cc1C ZINC000133047468 371979332 /nfs/dbraw/zinc/97/93/32/371979332.db2.gz BDFZRDIRTMQWAV-AWEZNQCLSA-N 1 0 231.383 3.748 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000133050354 591761065 /nfs/dbraw/zinc/76/10/65/591761065.db2.gz XXUXGXKENJQFCO-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000133050490 591761508 /nfs/dbraw/zinc/76/15/08/591761508.db2.gz XXUXGXKENJQFCO-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC000133050622 371978273 /nfs/dbraw/zinc/97/82/73/371978273.db2.gz AZRJJHZPBYZHND-ZDUSSCGKSA-N 1 0 239.362 3.976 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC000133050767 371979100 /nfs/dbraw/zinc/97/91/00/371979100.db2.gz AZRJJHZPBYZHND-CYBMUJFWSA-N 1 0 239.362 3.976 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000133068507 491146203 /nfs/dbraw/zinc/14/62/03/491146203.db2.gz QSAJOOOSOWXWQG-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000133068677 491146211 /nfs/dbraw/zinc/14/62/11/491146211.db2.gz QSAJOOOSOWXWQG-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cncs2)cc1C ZINC000133082266 178844673 /nfs/dbraw/zinc/84/46/73/178844673.db2.gz YWFMLYQKYMTHSH-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cncs2)cc1C ZINC000133082465 387797854 /nfs/dbraw/zinc/79/78/54/387797854.db2.gz YWFMLYQKYMTHSH-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cncs2)c1 ZINC000133100071 386274459 /nfs/dbraw/zinc/27/44/59/386274459.db2.gz FKAGFYRURBEWDE-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cncs2)c1 ZINC000133100261 386274537 /nfs/dbraw/zinc/27/45/37/386274537.db2.gz FKAGFYRURBEWDE-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(Cl)cc1F ZINC000133113670 191036436 /nfs/dbraw/zinc/03/64/36/191036436.db2.gz OPNYMDIVEACEMW-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC(CC)C[NH2+]C1(c2ccccc2)CC1 ZINC000133113671 191036336 /nfs/dbraw/zinc/03/63/36/191036336.db2.gz SATCHGIMPSFKES-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(c2ccccc2)CC1 ZINC000133113939 191036278 /nfs/dbraw/zinc/03/62/78/191036278.db2.gz ULBGPMVRYWNIBX-CYBMUJFWSA-N 1 0 217.356 3.702 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000133114006 191035911 /nfs/dbraw/zinc/03/59/11/191035911.db2.gz SKLHUQLNPCFGIC-SECBINFHSA-N 1 0 229.726 3.613 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(c2ccccc2)CC1 ZINC000133114109 191036285 /nfs/dbraw/zinc/03/62/85/191036285.db2.gz ULBGPMVRYWNIBX-ZDUSSCGKSA-N 1 0 217.356 3.702 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000133114204 191036482 /nfs/dbraw/zinc/03/64/82/191036482.db2.gz SKLHUQLNPCFGIC-VIFPVBQESA-N 1 0 229.726 3.613 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000133114433 191036976 /nfs/dbraw/zinc/03/69/76/191036976.db2.gz DUCIZVZODJEKSE-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000133114627 191036898 /nfs/dbraw/zinc/03/68/98/191036898.db2.gz DUCIZVZODJEKSE-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(Cl)cc1F ZINC000133114892 191036962 /nfs/dbraw/zinc/03/69/62/191036962.db2.gz CLKVMICOIOQUFM-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(Cl)cc1F ZINC000133115014 191036604 /nfs/dbraw/zinc/03/66/04/191036604.db2.gz CLKVMICOIOQUFM-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CCC1 ZINC000133141688 491147146 /nfs/dbraw/zinc/14/71/46/491147146.db2.gz AKIUFWDHULTVLK-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CCC1 ZINC000133141878 491147137 /nfs/dbraw/zinc/14/71/37/491147137.db2.gz AKIUFWDHULTVLK-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000133146329 491147245 /nfs/dbraw/zinc/14/72/45/491147245.db2.gz FXFMZAVRKKRREF-VIFPVBQESA-N 1 0 249.741 3.974 20 0 BHADRO C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000133146497 491147222 /nfs/dbraw/zinc/14/72/22/491147222.db2.gz FXFMZAVRKKRREF-SECBINFHSA-N 1 0 249.741 3.974 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000133162781 191037769 /nfs/dbraw/zinc/03/77/69/191037769.db2.gz MWZKJVUDYJOTCS-RYUDHWBXSA-N 1 0 243.350 3.741 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[C@@H]1C ZINC000133163017 191037232 /nfs/dbraw/zinc/03/72/32/191037232.db2.gz MWZKJVUDYJOTCS-NWDGAFQWSA-N 1 0 243.350 3.741 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[C@H]1C ZINC000133163320 191037454 /nfs/dbraw/zinc/03/74/54/191037454.db2.gz MWZKJVUDYJOTCS-NEPJUHHUSA-N 1 0 243.350 3.741 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[C@H]1C ZINC000133163514 191038247 /nfs/dbraw/zinc/03/82/47/191038247.db2.gz MWZKJVUDYJOTCS-VXGBXAGGSA-N 1 0 243.350 3.741 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+]CC1CCC1 ZINC000133177063 191037435 /nfs/dbraw/zinc/03/74/35/191037435.db2.gz KDQLOROOUCRUIP-UHFFFAOYSA-N 1 0 249.741 3.976 20 0 BHADRO c1coc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133178181 358747019 /nfs/dbraw/zinc/74/70/19/358747019.db2.gz NSKRXHSCLGCPAW-CABCVRRESA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000133178407 358746864 /nfs/dbraw/zinc/74/68/64/358746864.db2.gz NSKRXHSCLGCPAW-GJZGRUSLSA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133178614 358747435 /nfs/dbraw/zinc/74/74/35/358747435.db2.gz NSKRXHSCLGCPAW-HUUCEWRRSA-N 1 0 241.334 3.706 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000133178815 358747153 /nfs/dbraw/zinc/74/71/53/358747153.db2.gz NSKRXHSCLGCPAW-LSDHHAIUSA-N 1 0 241.334 3.706 20 0 BHADRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCCF)o1 ZINC000133181151 358747464 /nfs/dbraw/zinc/74/74/64/358747464.db2.gz LXZNBLKRLWKHOJ-ZDUSSCGKSA-N 1 0 239.334 3.865 20 0 BHADRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCCF)o1 ZINC000133181390 358747034 /nfs/dbraw/zinc/74/70/34/358747034.db2.gz LXZNBLKRLWKHOJ-CYBMUJFWSA-N 1 0 239.334 3.865 20 0 BHADRO CCC(CC)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000133183071 191037217 /nfs/dbraw/zinc/03/72/17/191037217.db2.gz QROJIURCAYZWRG-UHFFFAOYSA-N 1 0 240.416 3.712 20 0 BHADRO CCC[C@@H](C)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000133183294 191105483 /nfs/dbraw/zinc/10/54/83/191105483.db2.gz RKPMQOJXPURUBL-SNVBAGLBSA-N 1 0 240.416 3.712 20 0 BHADRO CCC[C@H](C)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000133183488 191037854 /nfs/dbraw/zinc/03/78/54/191037854.db2.gz RKPMQOJXPURUBL-JTQLQIEISA-N 1 0 240.416 3.712 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000133187186 191038027 /nfs/dbraw/zinc/03/80/27/191038027.db2.gz VLPLJFZFNQEELK-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000133187583 191037962 /nfs/dbraw/zinc/03/79/62/191037962.db2.gz VLPLJFZFNQEELK-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000133192423 191039438 /nfs/dbraw/zinc/03/94/38/191039438.db2.gz ORLFUPCWVPKGTA-MLGOLLRUSA-N 1 0 225.335 3.585 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000133192607 191038745 /nfs/dbraw/zinc/03/87/45/191038745.db2.gz ORLFUPCWVPKGTA-BLLLJJGKSA-N 1 0 225.335 3.585 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000133192772 191039040 /nfs/dbraw/zinc/03/90/40/191039040.db2.gz ORLFUPCWVPKGTA-WBMJQRKESA-N 1 0 225.335 3.585 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000133192973 191038762 /nfs/dbraw/zinc/03/87/62/191038762.db2.gz ORLFUPCWVPKGTA-LRDDRELGSA-N 1 0 225.335 3.585 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000133199572 191039566 /nfs/dbraw/zinc/03/95/66/191039566.db2.gz RKCKGNOGBWWDTH-TZMCWYRMSA-N 1 0 231.383 3.730 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000133199766 191039166 /nfs/dbraw/zinc/03/91/66/191039166.db2.gz RKCKGNOGBWWDTH-GXTWGEPZSA-N 1 0 231.383 3.730 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000133199959 191039170 /nfs/dbraw/zinc/03/91/70/191039170.db2.gz RKCKGNOGBWWDTH-OCCSQVGLSA-N 1 0 231.383 3.730 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000133200135 191039232 /nfs/dbraw/zinc/03/92/32/191039232.db2.gz RKCKGNOGBWWDTH-JSGCOSHPSA-N 1 0 231.383 3.730 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000133204063 191038742 /nfs/dbraw/zinc/03/87/42/191038742.db2.gz KOJHBXROCLSIBA-LSDHHAIUSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000133204252 191039388 /nfs/dbraw/zinc/03/93/88/191039388.db2.gz KOJHBXROCLSIBA-GJZGRUSLSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000133204431 191039656 /nfs/dbraw/zinc/03/96/56/191039656.db2.gz KOJHBXROCLSIBA-HUUCEWRRSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000133204636 191039196 /nfs/dbraw/zinc/03/91/96/191039196.db2.gz KOJHBXROCLSIBA-CABCVRRESA-N 1 0 217.356 3.568 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+]CCC1CC1 ZINC000133207437 191039207 /nfs/dbraw/zinc/03/92/07/191039207.db2.gz CFEWVQXRPRMYPI-UHFFFAOYSA-N 1 0 249.741 3.976 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CC(CC)CC)cs1 ZINC000133214401 491147842 /nfs/dbraw/zinc/14/78/42/491147842.db2.gz RSWWUWDDXHSVBC-SNVBAGLBSA-N 1 0 240.416 3.792 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CC(CC)CC)cs1 ZINC000133214594 537860204 /nfs/dbraw/zinc/86/02/04/537860204.db2.gz RSWWUWDDXHSVBC-JTQLQIEISA-N 1 0 240.416 3.792 20 0 BHADRO C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000133218958 191038969 /nfs/dbraw/zinc/03/89/69/191038969.db2.gz XMCSOTRLCKJAKY-NEPJUHHUSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000133219135 191038936 /nfs/dbraw/zinc/03/89/36/191038936.db2.gz XMCSOTRLCKJAKY-RYUDHWBXSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000133219316 191038634 /nfs/dbraw/zinc/03/86/34/191038634.db2.gz XMCSOTRLCKJAKY-VXGBXAGGSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000133219531 191105091 /nfs/dbraw/zinc/10/50/91/191105091.db2.gz XMCSOTRLCKJAKY-NWDGAFQWSA-N 1 0 226.323 3.835 20 0 BHADRO CCCCOc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000133221296 191038817 /nfs/dbraw/zinc/03/88/17/191038817.db2.gz XCYYPTRSAXIESD-ZFWWWQNUSA-N 1 0 247.382 3.611 20 0 BHADRO CCCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000133221481 191039494 /nfs/dbraw/zinc/03/94/94/191039494.db2.gz XCYYPTRSAXIESD-DZGCQCFKSA-N 1 0 247.382 3.611 20 0 BHADRO CCCCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000133221673 191039236 /nfs/dbraw/zinc/03/92/36/191039236.db2.gz XCYYPTRSAXIESD-HIFRSBDPSA-N 1 0 247.382 3.611 20 0 BHADRO CCCCOc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000133221899 191038989 /nfs/dbraw/zinc/03/89/89/191038989.db2.gz XCYYPTRSAXIESD-UKRRQHHQSA-N 1 0 247.382 3.611 20 0 BHADRO CCC(CC)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000133224585 191038629 /nfs/dbraw/zinc/03/86/29/191038629.db2.gz JHTZWHOCFOLDED-ZDUSSCGKSA-N 1 0 240.416 3.794 20 0 BHADRO CCC(CC)C[NH2+][C@](C)(CC)c1nccs1 ZINC000133224785 191038649 /nfs/dbraw/zinc/03/86/49/191038649.db2.gz JHTZWHOCFOLDED-CYBMUJFWSA-N 1 0 240.416 3.794 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000133224989 191039718 /nfs/dbraw/zinc/03/97/18/191039718.db2.gz IWUZTSJEIYVAKY-YPMHNXCESA-N 1 0 240.416 3.794 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000133225183 191038572 /nfs/dbraw/zinc/03/85/72/191038572.db2.gz IWUZTSJEIYVAKY-AAEUAGOBSA-N 1 0 240.416 3.794 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@](C)(CC)c1nccs1 ZINC000133225385 191038807 /nfs/dbraw/zinc/03/88/07/191038807.db2.gz IWUZTSJEIYVAKY-DGCLKSJQSA-N 1 0 240.416 3.794 20 0 BHADRO CCC[C@H](C)C[NH2+][C@](C)(CC)c1nccs1 ZINC000133225568 191038843 /nfs/dbraw/zinc/03/88/43/191038843.db2.gz IWUZTSJEIYVAKY-WCQYABFASA-N 1 0 240.416 3.794 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)n1 ZINC000133225579 491148807 /nfs/dbraw/zinc/14/88/07/491148807.db2.gz FBSDGMNUUJVZRU-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CC2CCC2)n1 ZINC000133225765 491132378 /nfs/dbraw/zinc/13/23/78/491132378.db2.gz FBSDGMNUUJVZRU-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CC2CCC2)n1 ZINC000133225949 491148795 /nfs/dbraw/zinc/14/87/95/491148795.db2.gz FBSDGMNUUJVZRU-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)CC2CCC2)n1 ZINC000133226147 491148821 /nfs/dbraw/zinc/14/88/21/491148821.db2.gz FBSDGMNUUJVZRU-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO CCCCC[N@H+](Cc1cccc(O)c1)C(C)C ZINC000133255577 191038689 /nfs/dbraw/zinc/03/86/89/191038689.db2.gz IOYRTJRCEZIXMD-UHFFFAOYSA-N 1 0 235.371 3.793 20 0 BHADRO CCC1([NH2+]Cc2cnc(C(C)C)s2)CCC1 ZINC000133256019 191039186 /nfs/dbraw/zinc/03/91/86/191039186.db2.gz SOPRMUDLLDWUCD-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)c1ccncc1 ZINC000133280330 491149494 /nfs/dbraw/zinc/14/94/94/491149494.db2.gz SZLXDCXFRFMMNV-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)c1ccncc1 ZINC000133280528 491149446 /nfs/dbraw/zinc/14/94/46/491149446.db2.gz SZLXDCXFRFMMNV-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000133298970 325285205 /nfs/dbraw/zinc/28/52/05/325285205.db2.gz PSZYUKKGKYDPRF-VBNZEHGJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000133299190 325285225 /nfs/dbraw/zinc/28/52/25/325285225.db2.gz PSZYUKKGKYDPRF-UHOFOFEASA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000133299332 325285301 /nfs/dbraw/zinc/28/53/01/325285301.db2.gz PSZYUKKGKYDPRF-RCBQFDQVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000133299539 325285357 /nfs/dbraw/zinc/28/53/57/325285357.db2.gz PSZYUKKGKYDPRF-KCXAZCMYSA-N 1 0 229.367 3.711 20 0 BHADRO CC[N@H+](C/C(C)=C/c1ccccc1)C1CC1 ZINC000133319992 323018636 /nfs/dbraw/zinc/01/86/36/323018636.db2.gz AZWJWXJBTQPLDE-ACCUITESSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000133320572 191040193 /nfs/dbraw/zinc/04/01/93/191040193.db2.gz KYBNJLFADRAUHK-AEGPPILISA-N 1 0 217.356 3.711 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000133320946 191040180 /nfs/dbraw/zinc/04/01/80/191040180.db2.gz KYBNJLFADRAUHK-QEJZJMRPSA-N 1 0 217.356 3.711 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000133322786 325286655 /nfs/dbraw/zinc/28/66/55/325286655.db2.gz ZMEYOPZKSMOOPV-ZBFHGGJFSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000133322994 325286608 /nfs/dbraw/zinc/28/66/08/325286608.db2.gz ZMEYOPZKSMOOPV-HOCLYGCPSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000133323228 325286449 /nfs/dbraw/zinc/28/64/49/325286449.db2.gz ZMEYOPZKSMOOPV-GDBMZVCRSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000133323396 325286511 /nfs/dbraw/zinc/28/65/11/325286511.db2.gz ZMEYOPZKSMOOPV-GOEBONIOSA-N 1 0 229.367 3.855 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(C)(C)C ZINC000133330964 343190362 /nfs/dbraw/zinc/19/03/62/343190362.db2.gz OYGWOMXYMRNAKF-VHSXEESVSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cccs1 ZINC000133331157 343190587 /nfs/dbraw/zinc/19/05/87/343190587.db2.gz OYGWOMXYMRNAKF-NXEZZACHSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(C)(C)C ZINC000133336618 343190238 /nfs/dbraw/zinc/19/02/38/343190238.db2.gz MSTWKIWEPVRJAM-NWDGAFQWSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)C(C)(C)C ZINC000133336831 343190211 /nfs/dbraw/zinc/19/02/11/343190211.db2.gz MSTWKIWEPVRJAM-VXGBXAGGSA-N 1 0 223.360 3.625 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(C)(C)C)s1 ZINC000133344520 343190378 /nfs/dbraw/zinc/19/03/78/343190378.db2.gz PRBJSAPMNDGVMN-PSASIEDQSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(C)(C)C)s1 ZINC000133344727 343190201 /nfs/dbraw/zinc/19/02/01/343190201.db2.gz PRBJSAPMNDGVMN-WCBMZHEXSA-N 1 0 240.416 3.845 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(C)(C)C ZINC000133356674 343190548 /nfs/dbraw/zinc/19/05/48/343190548.db2.gz DWFRJVZPDQLVAY-VHSXEESVSA-N 1 0 211.374 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccsc1 ZINC000133356874 343190187 /nfs/dbraw/zinc/19/01/87/343190187.db2.gz DWFRJVZPDQLVAY-NXEZZACHSA-N 1 0 211.374 3.833 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)o1 ZINC000133363755 344319211 /nfs/dbraw/zinc/31/92/11/344319211.db2.gz WZJGRYMWALRGDW-GHMZBOCLSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)C)o1 ZINC000133363953 343190425 /nfs/dbraw/zinc/19/04/25/343190425.db2.gz WZJGRYMWALRGDW-WDEREUQCSA-N 1 0 209.333 3.673 20 0 BHADRO Cc1ccc(C[N@H+](CCCF)C2CC2)cc1C ZINC000133368511 325291064 /nfs/dbraw/zinc/29/10/64/325291064.db2.gz ZIXGVSPNYICYLI-UHFFFAOYSA-N 1 0 235.346 3.627 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000133370064 191040471 /nfs/dbraw/zinc/04/04/71/191040471.db2.gz XXRHXXXNIXKFMK-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CSc2ccccc21 ZINC000133373465 191040301 /nfs/dbraw/zinc/04/03/01/191040301.db2.gz OCJWAPMWLUEUFZ-CYBMUJFWSA-N 1 0 235.396 3.859 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CSc2ccccc21 ZINC000133373692 191040303 /nfs/dbraw/zinc/04/03/03/191040303.db2.gz OCJWAPMWLUEUFZ-ZDUSSCGKSA-N 1 0 235.396 3.859 20 0 BHADRO CCC(CC)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000133380905 191040174 /nfs/dbraw/zinc/04/01/74/191040174.db2.gz SSFWBXUAFYIMJQ-UHFFFAOYSA-N 1 0 240.416 3.712 20 0 BHADRO CCC[C@@H](C)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000133381345 191040540 /nfs/dbraw/zinc/04/05/40/191040540.db2.gz VNRQNYNSALFDIU-SNVBAGLBSA-N 1 0 240.416 3.712 20 0 BHADRO CCC[C@H](C)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000133381559 191040658 /nfs/dbraw/zinc/04/06/58/191040658.db2.gz VNRQNYNSALFDIU-JTQLQIEISA-N 1 0 240.416 3.712 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccsc1 ZINC000133384346 180985931 /nfs/dbraw/zinc/98/59/31/180985931.db2.gz ZDIARAXYAWMNSQ-AWEZNQCLSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccsc1 ZINC000133384535 386321780 /nfs/dbraw/zinc/32/17/80/386321780.db2.gz ZDIARAXYAWMNSQ-CQSZACIVSA-N 1 0 247.338 3.664 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000133384787 180987746 /nfs/dbraw/zinc/98/77/46/180987746.db2.gz ZFCWPHXPVTZLGH-MRXNPFEDSA-N 1 0 241.309 3.603 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000133384982 388384337 /nfs/dbraw/zinc/38/43/37/388384337.db2.gz ZFCWPHXPVTZLGH-INIZCTEOSA-N 1 0 241.309 3.603 20 0 BHADRO CC(C)c1ncc(C[NH2+]CCC2CCC2)s1 ZINC000133444746 591798005 /nfs/dbraw/zinc/79/80/05/591798005.db2.gz JXBJNQFHAHIVBT-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]C1CC=CC1 ZINC000133458170 491154749 /nfs/dbraw/zinc/15/47/49/491154749.db2.gz IBSDXADVDHFFAL-UHFFFAOYSA-N 1 0 235.758 3.765 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCF)c1C ZINC000133487330 325296787 /nfs/dbraw/zinc/29/67/87/325296787.db2.gz UNOHNRGMZPBKGZ-HNNXBMFYSA-N 1 0 235.346 3.800 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CCCF)c1C ZINC000133487533 325296620 /nfs/dbraw/zinc/29/66/20/325296620.db2.gz UNOHNRGMZPBKGZ-OAHLLOKOSA-N 1 0 235.346 3.800 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000133508287 358758218 /nfs/dbraw/zinc/75/82/18/358758218.db2.gz ZQVJYXQJISCFSE-TZMCWYRMSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000133508498 358758084 /nfs/dbraw/zinc/75/80/84/358758084.db2.gz ZQVJYXQJISCFSE-GXTWGEPZSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000133508661 535167999 /nfs/dbraw/zinc/16/79/99/535167999.db2.gz ZQVJYXQJISCFSE-OCCSQVGLSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000133508877 358757817 /nfs/dbraw/zinc/75/78/17/358757817.db2.gz ZQVJYXQJISCFSE-JSGCOSHPSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1C ZINC000133522035 386312210 /nfs/dbraw/zinc/31/22/10/386312210.db2.gz IJOZUUPZPNCOSQ-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1C ZINC000133522218 386313475 /nfs/dbraw/zinc/31/34/75/386313475.db2.gz IJOZUUPZPNCOSQ-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO FCCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000133529306 566434397 /nfs/dbraw/zinc/43/43/97/566434397.db2.gz XJVYTECIAMWHHI-UHFFFAOYSA-N 1 0 239.334 3.774 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC000133534604 384296614 /nfs/dbraw/zinc/29/66/14/384296614.db2.gz YVDLTXCRHJOHOX-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000133570602 191041080 /nfs/dbraw/zinc/04/10/80/191041080.db2.gz QLFDBQZTNKTNHJ-MNOVXSKESA-N 1 0 240.416 3.963 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000133570819 191041347 /nfs/dbraw/zinc/04/13/47/191041347.db2.gz QLFDBQZTNKTNHJ-QWRGUYRKSA-N 1 0 240.416 3.963 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000133570986 191041517 /nfs/dbraw/zinc/04/15/17/191041517.db2.gz QLFDBQZTNKTNHJ-GHMZBOCLSA-N 1 0 240.416 3.963 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000133571168 191041945 /nfs/dbraw/zinc/04/19/45/191041945.db2.gz QLFDBQZTNKTNHJ-WDEREUQCSA-N 1 0 240.416 3.963 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccccc1F ZINC000133577726 191042151 /nfs/dbraw/zinc/04/21/51/191042151.db2.gz YDARDHDKFRNYSF-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccccc1F ZINC000133577959 191041149 /nfs/dbraw/zinc/04/11/49/191041149.db2.gz YDARDHDKFRNYSF-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCCSC ZINC000133580398 591830663 /nfs/dbraw/zinc/83/06/63/591830663.db2.gz HNTRZQLEMMCCTM-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCCSC ZINC000133580610 591830274 /nfs/dbraw/zinc/83/02/74/591830274.db2.gz HNTRZQLEMMCCTM-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133580863 591830050 /nfs/dbraw/zinc/83/00/50/591830050.db2.gz AIASHESQXKGKEM-VNHYZAJKSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133581226 591830618 /nfs/dbraw/zinc/83/06/18/591830618.db2.gz AIASHESQXKGKEM-UMVBOHGHSA-N 1 0 245.366 3.679 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000133581495 191041922 /nfs/dbraw/zinc/04/19/22/191041922.db2.gz OPACTYXIDPSXKC-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000133581695 191042109 /nfs/dbraw/zinc/04/21/09/191042109.db2.gz OPACTYXIDPSXKC-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)cs1 ZINC000133588490 343191257 /nfs/dbraw/zinc/19/12/57/343191257.db2.gz QEDCZRLVWFNTJI-RKDXNWHRSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)C(C)(C)C)cs1 ZINC000133588705 343190889 /nfs/dbraw/zinc/19/08/89/343190889.db2.gz QEDCZRLVWFNTJI-DTWKUNHWSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c(C)s1 ZINC000133589702 411845254 /nfs/dbraw/zinc/84/52/54/411845254.db2.gz MILOVXOONMPSFJ-PSASIEDQSA-N 1 0 240.416 3.845 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)C(C)(C)C)c(C)s1 ZINC000133589881 411844745 /nfs/dbraw/zinc/84/47/45/411844745.db2.gz MILOVXOONMPSFJ-WCBMZHEXSA-N 1 0 240.416 3.845 20 0 BHADRO CSCCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000133599732 358760382 /nfs/dbraw/zinc/76/03/82/358760382.db2.gz NQSNPIIDYSQWNW-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000133599937 358760683 /nfs/dbraw/zinc/76/06/83/358760683.db2.gz NQSNPIIDYSQWNW-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)c1ccccc1 ZINC000133611747 191041130 /nfs/dbraw/zinc/04/11/30/191041130.db2.gz NPUSSGNWETXYHV-AWEZNQCLSA-N 1 0 237.412 3.871 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)c1ccccc1 ZINC000133611974 191107255 /nfs/dbraw/zinc/10/72/55/191107255.db2.gz NPUSSGNWETXYHV-CQSZACIVSA-N 1 0 237.412 3.871 20 0 BHADRO CC[C@@H](C)CNc1ccc(C)cc1C[NH+](C)C ZINC000133614729 325305027 /nfs/dbraw/zinc/30/50/27/325305027.db2.gz SPEMNOJHZUAKGF-GFCCVEGCSA-N 1 0 234.387 3.515 20 0 BHADRO CC[C@H](C)CNc1ccc(C)cc1C[NH+](C)C ZINC000133614919 325304890 /nfs/dbraw/zinc/30/48/90/325304890.db2.gz SPEMNOJHZUAKGF-LBPRGKRZSA-N 1 0 234.387 3.515 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000133618042 191041694 /nfs/dbraw/zinc/04/16/94/191041694.db2.gz BSUGUPIDUHHONW-ZDUSSCGKSA-N 1 0 229.433 3.854 20 0 BHADRO CSCCCC[NH2+][C@H](C)CCC=C(C)C ZINC000133618191 191041597 /nfs/dbraw/zinc/04/15/97/191041597.db2.gz BSUGUPIDUHHONW-CYBMUJFWSA-N 1 0 229.433 3.854 20 0 BHADRO CC[C@@H](C)CNc1cc(C[NH+](C)C)ccc1C ZINC000133627583 325305641 /nfs/dbraw/zinc/30/56/41/325305641.db2.gz PVSHGQDQCQDNEB-GFCCVEGCSA-N 1 0 234.387 3.515 20 0 BHADRO CC[C@H](C)CNc1cc(C[NH+](C)C)ccc1C ZINC000133627785 325305434 /nfs/dbraw/zinc/30/54/34/325305434.db2.gz PVSHGQDQCQDNEB-LBPRGKRZSA-N 1 0 234.387 3.515 20 0 BHADRO CSCCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000133630059 134686784 /nfs/dbraw/zinc/68/67/84/134686784.db2.gz YCRJPYRYOICUDQ-IUODEOHRSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000133630270 134686814 /nfs/dbraw/zinc/68/68/14/134686814.db2.gz YCRJPYRYOICUDQ-SWLSCSKDSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000133630472 358762582 /nfs/dbraw/zinc/76/25/82/358762582.db2.gz YCRJPYRYOICUDQ-DOMZBBRYSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000133630676 358762129 /nfs/dbraw/zinc/76/21/29/358762129.db2.gz YCRJPYRYOICUDQ-WFASDCNBSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)c1cccs1 ZINC000133636153 191043331 /nfs/dbraw/zinc/04/33/31/191043331.db2.gz ILVAEKCQVVNBIF-NSHDSACASA-N 1 0 243.441 3.932 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)c1cccs1 ZINC000133636340 191042384 /nfs/dbraw/zinc/04/23/84/191042384.db2.gz ILVAEKCQVVNBIF-LLVKDONJSA-N 1 0 243.441 3.932 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1sccc1C ZINC000133639091 191042549 /nfs/dbraw/zinc/04/25/49/191042549.db2.gz ONOJHVKYBXSARO-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1sccc1C ZINC000133639261 191042461 /nfs/dbraw/zinc/04/24/61/191042461.db2.gz ONOJHVKYBXSARO-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000133649021 591845452 /nfs/dbraw/zinc/84/54/52/591845452.db2.gz VOMLCRHQPRHTGC-NSHDSACASA-N 1 0 249.489 3.639 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CCC1 ZINC000133649189 191042620 /nfs/dbraw/zinc/04/26/20/191042620.db2.gz LINRZAWURLWWDE-NMKXLXIOSA-N 1 0 209.377 3.589 20 0 BHADRO CSCCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000133649232 591844881 /nfs/dbraw/zinc/84/48/81/591844881.db2.gz VOMLCRHQPRHTGC-LLVKDONJSA-N 1 0 249.489 3.639 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cncs1 ZINC000133650015 191042372 /nfs/dbraw/zinc/04/23/72/191042372.db2.gz PZEJLCNLTAGOHE-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000133656583 591844938 /nfs/dbraw/zinc/84/49/38/591844938.db2.gz LAILBFVGUHYMSB-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000133656800 591845815 /nfs/dbraw/zinc/84/58/15/591845815.db2.gz LAILBFVGUHYMSB-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+]C1CCCCCCC1 ZINC000133658946 591845806 /nfs/dbraw/zinc/84/58/06/591845806.db2.gz SDUFOYMROJFKCO-UHFFFAOYSA-N 1 0 229.433 3.832 20 0 BHADRO CC(C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000133658956 191041470 /nfs/dbraw/zinc/04/14/70/191041470.db2.gz WFDKXHBPIUTEJR-GFCCVEGCSA-N 1 0 223.335 3.565 20 0 BHADRO CC(C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000133659146 191041967 /nfs/dbraw/zinc/04/19/67/191041967.db2.gz WFDKXHBPIUTEJR-LBPRGKRZSA-N 1 0 223.335 3.565 20 0 BHADRO CCCCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000133659378 191041458 /nfs/dbraw/zinc/04/14/58/191041458.db2.gz UCHMGMJJLQFWKR-GFCCVEGCSA-N 1 0 223.335 3.709 20 0 BHADRO CCCCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000133659578 191041986 /nfs/dbraw/zinc/04/19/86/191041986.db2.gz UCHMGMJJLQFWKR-LBPRGKRZSA-N 1 0 223.335 3.709 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000133661817 358762152 /nfs/dbraw/zinc/76/21/52/358762152.db2.gz ITBYESXRLXGGAH-LSDHHAIUSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000133662028 358762395 /nfs/dbraw/zinc/76/23/95/358762395.db2.gz ITBYESXRLXGGAH-HUUCEWRRSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000133662232 358762544 /nfs/dbraw/zinc/76/25/44/358762544.db2.gz ITBYESXRLXGGAH-GJZGRUSLSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@H]([NH2+]CC1CCSCC1)c1cccs1 ZINC000133662269 384257656 /nfs/dbraw/zinc/25/76/56/384257656.db2.gz DFEFZTZABPPMIY-JTQLQIEISA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1CCSCC1)c1cccs1 ZINC000133662454 384256797 /nfs/dbraw/zinc/25/67/97/384256797.db2.gz DFEFZTZABPPMIY-SNVBAGLBSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000133662456 358762227 /nfs/dbraw/zinc/76/22/27/358762227.db2.gz ITBYESXRLXGGAH-CABCVRRESA-N 1 0 245.366 3.679 20 0 BHADRO C([NH2+]C1CCCCCCC1)C1CCSCC1 ZINC000133668050 591845324 /nfs/dbraw/zinc/84/53/24/591845324.db2.gz BORVJFUUNDSPIO-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CCSCC1 ZINC000133668916 191041485 /nfs/dbraw/zinc/04/14/85/191041485.db2.gz BSWZAQICTNNSMQ-RYUDHWBXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CCSCC1 ZINC000133669133 191041665 /nfs/dbraw/zinc/04/16/65/191041665.db2.gz BSWZAQICTNNSMQ-VXGBXAGGSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000133669822 191041718 /nfs/dbraw/zinc/04/17/18/191041718.db2.gz BCYGXEVRJNFTBI-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC1CCSCC1 ZINC000133669976 191041044 /nfs/dbraw/zinc/04/10/44/191041044.db2.gz BCYGXEVRJNFTBI-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCSCC1 ZINC000133671860 191042106 /nfs/dbraw/zinc/04/21/06/191042106.db2.gz GPVNWDJEKZUPQE-TZMCWYRMSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCSCC1 ZINC000133672054 191041836 /nfs/dbraw/zinc/04/18/36/191041836.db2.gz GPVNWDJEKZUPQE-GXTWGEPZSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCSCC1 ZINC000133672241 191042071 /nfs/dbraw/zinc/04/20/71/191042071.db2.gz GPVNWDJEKZUPQE-OCCSQVGLSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1CCSCC1 ZINC000133672460 191041889 /nfs/dbraw/zinc/04/18/89/191041889.db2.gz GPVNWDJEKZUPQE-JSGCOSHPSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@H]([NH2+]CC1CCSCC1)c1ccsc1 ZINC000133676021 384257216 /nfs/dbraw/zinc/25/72/16/384257216.db2.gz TVYMYJBTEAUXHB-JTQLQIEISA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1CCSCC1)c1ccsc1 ZINC000133676226 386342121 /nfs/dbraw/zinc/34/21/21/386342121.db2.gz TVYMYJBTEAUXHB-SNVBAGLBSA-N 1 0 241.425 3.542 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1CCSCC1 ZINC000133676425 191041563 /nfs/dbraw/zinc/04/15/63/191041563.db2.gz NPFQBGLMJILTFJ-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1CCSCC1 ZINC000133676618 191041234 /nfs/dbraw/zinc/04/12/34/191041234.db2.gz NPFQBGLMJILTFJ-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000133678477 191041475 /nfs/dbraw/zinc/04/14/75/191041475.db2.gz AZAVRRKZZVRNNB-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000133678675 191041814 /nfs/dbraw/zinc/04/18/14/191041814.db2.gz AZAVRRKZZVRNNB-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000133680081 325309132 /nfs/dbraw/zinc/30/91/32/325309132.db2.gz FVFPFKLGEATTBK-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000133680280 325309501 /nfs/dbraw/zinc/30/95/01/325309501.db2.gz FVFPFKLGEATTBK-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@H](C)CCC(C)C ZINC000133681222 191041077 /nfs/dbraw/zinc/04/10/77/191041077.db2.gz KGIAVTSVUCAWJI-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CCC(C)C ZINC000133681418 191042141 /nfs/dbraw/zinc/04/21/41/191042141.db2.gz KGIAVTSVUCAWJI-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccccc1C ZINC000133686100 191041272 /nfs/dbraw/zinc/04/12/72/191041272.db2.gz QGCMVLBKQNIPHY-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccccc1C ZINC000133686321 191041194 /nfs/dbraw/zinc/04/11/94/191041194.db2.gz QGCMVLBKQNIPHY-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C1CCCC1 ZINC000133691131 491160032 /nfs/dbraw/zinc/16/00/32/491160032.db2.gz BBYAEFYYVZGGLS-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)C1CCCC1 ZINC000133691341 491160058 /nfs/dbraw/zinc/16/00/58/491160058.db2.gz BBYAEFYYVZGGLS-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)C1CCCC1 ZINC000133691562 491160085 /nfs/dbraw/zinc/16/00/85/491160085.db2.gz BBYAEFYYVZGGLS-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)C1CCCC1 ZINC000133691768 491160111 /nfs/dbraw/zinc/16/01/11/491160111.db2.gz BBYAEFYYVZGGLS-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C[NH2+]Cc2ccoc2)CCCCCC1 ZINC000133692396 345383470 /nfs/dbraw/zinc/38/34/70/345383470.db2.gz CFRHMNUHPDEBKS-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)c1cccs1 ZINC000133692902 191041769 /nfs/dbraw/zinc/04/17/69/191041769.db2.gz KNWMBIRTIOBMRZ-NSHDSACASA-N 1 0 237.412 3.804 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC(C)(C)c1cccs1 ZINC000133693078 191041766 /nfs/dbraw/zinc/04/17/66/191041766.db2.gz KNWMBIRTIOBMRZ-LLVKDONJSA-N 1 0 237.412 3.804 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000133694005 191041099 /nfs/dbraw/zinc/04/10/99/191041099.db2.gz AVCGZTUHEGXGAO-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000133694249 191041513 /nfs/dbraw/zinc/04/15/13/191041513.db2.gz AVCGZTUHEGXGAO-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000133694441 191042033 /nfs/dbraw/zinc/04/20/33/191042033.db2.gz AVCGZTUHEGXGAO-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000133694721 191041344 /nfs/dbraw/zinc/04/13/44/191041344.db2.gz AVCGZTUHEGXGAO-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000133702370 191041494 /nfs/dbraw/zinc/04/14/94/191041494.db2.gz VSIMDRGZZGGSTD-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000133702576 191041997 /nfs/dbraw/zinc/04/19/97/191041997.db2.gz VSIMDRGZZGGSTD-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000133703009 191041542 /nfs/dbraw/zinc/04/15/42/191041542.db2.gz HOTSXWOWPBKCHS-NSHDSACASA-N 1 0 241.375 3.620 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000133703222 191042662 /nfs/dbraw/zinc/04/26/62/191042662.db2.gz HOTSXWOWPBKCHS-LLVKDONJSA-N 1 0 241.375 3.620 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCCSC ZINC000133709638 192087719 /nfs/dbraw/zinc/08/77/19/192087719.db2.gz NYIHQLLIIAQHQY-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCCSC ZINC000133709846 191042704 /nfs/dbraw/zinc/04/27/04/191042704.db2.gz NYIHQLLIIAQHQY-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000133721514 191042424 /nfs/dbraw/zinc/04/24/24/191042424.db2.gz ITVSYVDHENUETD-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000133721720 191042681 /nfs/dbraw/zinc/04/26/81/191042681.db2.gz ITVSYVDHENUETD-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc(C)c1O ZINC000133724751 191043133 /nfs/dbraw/zinc/04/31/33/191043133.db2.gz HRJOCBXQZLELND-FZMZJTMJSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc(C)c1O ZINC000133724956 191042951 /nfs/dbraw/zinc/04/29/51/191042951.db2.gz HRJOCBXQZLELND-RISCZKNCSA-N 1 0 247.382 3.629 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000133726559 191042734 /nfs/dbraw/zinc/04/27/34/191042734.db2.gz XIQVSNFKLLMZHL-CYBMUJFWSA-N 1 0 237.412 3.789 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000133726756 191043107 /nfs/dbraw/zinc/04/31/07/191043107.db2.gz XIQVSNFKLLMZHL-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133726869 591851750 /nfs/dbraw/zinc/85/17/50/591851750.db2.gz HNRVXFDSBLWWHO-KGYRSLOKSA-N 1 0 235.758 3.665 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133727054 591851814 /nfs/dbraw/zinc/85/18/14/591851814.db2.gz HNRVXFDSBLWWHO-UXTPFJKYSA-N 1 0 235.758 3.665 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCCSC)o1 ZINC000133742116 191043268 /nfs/dbraw/zinc/04/32/68/191043268.db2.gz BVGRPPDFWVLAER-LLVKDONJSA-N 1 0 241.400 3.636 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCCSC)o1 ZINC000133742334 191042758 /nfs/dbraw/zinc/04/27/58/191042758.db2.gz BVGRPPDFWVLAER-NSHDSACASA-N 1 0 241.400 3.636 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCCC1(C)C ZINC000133744240 325315006 /nfs/dbraw/zinc/31/50/06/325315006.db2.gz VTGMPVSAEBMEST-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000133744420 325314745 /nfs/dbraw/zinc/31/47/45/325314745.db2.gz VTGMPVSAEBMEST-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(F)(F)F)c(C)o1 ZINC000133755527 178225267 /nfs/dbraw/zinc/22/52/67/178225267.db2.gz LKDOEPUKTMRPKZ-SECBINFHSA-N 1 0 249.276 3.890 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(F)(F)F)c(C)o1 ZINC000133755708 178246326 /nfs/dbraw/zinc/24/63/26/178246326.db2.gz LKDOEPUKTMRPKZ-VIFPVBQESA-N 1 0 249.276 3.890 20 0 BHADRO CC(C)(C)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000133755793 191042796 /nfs/dbraw/zinc/04/27/96/191042796.db2.gz FDUAWOHKZUBENZ-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO c1ccc(C2([NH2+]C3CCCC3)CCC2)cc1 ZINC000133766753 191042720 /nfs/dbraw/zinc/04/27/20/191042720.db2.gz FIKMIPKUVPAMAM-UHFFFAOYSA-N 1 0 215.340 3.598 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC(F)(F)F)cc1 ZINC000133778529 384311357 /nfs/dbraw/zinc/31/13/57/384311357.db2.gz QLCYNEKJZLJDQB-LLVKDONJSA-N 1 0 245.288 3.988 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC(F)(F)F)cc1 ZINC000133778736 384311114 /nfs/dbraw/zinc/31/11/14/384311114.db2.gz QLCYNEKJZLJDQB-NSHDSACASA-N 1 0 245.288 3.988 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000133780049 179321664 /nfs/dbraw/zinc/32/16/64/179321664.db2.gz REKZSYHMCPKVQG-LLVKDONJSA-N 1 0 245.288 3.988 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCCC(F)(F)F ZINC000133780242 179337500 /nfs/dbraw/zinc/33/75/00/179337500.db2.gz REKZSYHMCPKVQG-NSHDSACASA-N 1 0 245.288 3.988 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000133783300 325319378 /nfs/dbraw/zinc/31/93/78/325319378.db2.gz QBUIFJZWODCPMR-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000133783472 325319386 /nfs/dbraw/zinc/31/93/86/325319386.db2.gz QBUIFJZWODCPMR-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+]C1CCCCC1 ZINC000133786024 191107313 /nfs/dbraw/zinc/10/73/13/191107313.db2.gz XKKVZDIPRJBFNW-CYBMUJFWSA-N 1 0 233.380 3.756 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+]C1CCCCC1 ZINC000133786260 191043377 /nfs/dbraw/zinc/04/33/77/191043377.db2.gz XKKVZDIPRJBFNW-ZDUSSCGKSA-N 1 0 233.380 3.756 20 0 BHADRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCF)C1 ZINC000133818255 325321556 /nfs/dbraw/zinc/32/15/56/325321556.db2.gz LQHRSOVKWUWAIM-BXUZGUMPSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCF)C1 ZINC000133818467 325321376 /nfs/dbraw/zinc/32/13/76/325321376.db2.gz LQHRSOVKWUWAIM-SMDDNHRTSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCF)C1 ZINC000133818706 325321613 /nfs/dbraw/zinc/32/16/13/325321613.db2.gz LQHRSOVKWUWAIM-RISCZKNCSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCF)C1 ZINC000133818895 325321456 /nfs/dbraw/zinc/32/14/56/325321456.db2.gz LQHRSOVKWUWAIM-FZMZJTMJSA-N 1 0 239.309 3.568 20 0 BHADRO Cc1ccc(C(C)(C)C[N@H+](C)CCCF)cc1 ZINC000133846303 325323402 /nfs/dbraw/zinc/32/34/02/325323402.db2.gz NRKZKCGENUBTKA-UHFFFAOYSA-N 1 0 237.362 3.564 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCF ZINC000133885295 325326820 /nfs/dbraw/zinc/32/68/20/325326820.db2.gz DPFNUWYMURUXSZ-HNNXBMFYSA-N 1 0 237.362 3.608 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCF ZINC000133885529 325326747 /nfs/dbraw/zinc/32/67/47/325326747.db2.gz DPFNUWYMURUXSZ-OAHLLOKOSA-N 1 0 237.362 3.608 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC2CCC2)C1 ZINC000133906679 591867918 /nfs/dbraw/zinc/86/79/18/591867918.db2.gz CDLRPGBZBVVRPA-NWDGAFQWSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCC2CCC2)C1 ZINC000133906905 591868321 /nfs/dbraw/zinc/86/83/21/591868321.db2.gz CDLRPGBZBVVRPA-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC2CCC2)C1 ZINC000133907165 591868192 /nfs/dbraw/zinc/86/81/92/591868192.db2.gz CDLRPGBZBVVRPA-VXGBXAGGSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC2CCC2)C1 ZINC000133907345 591869179 /nfs/dbraw/zinc/86/91/79/591869179.db2.gz CDLRPGBZBVVRPA-NEPJUHHUSA-N 1 0 249.320 3.887 20 0 BHADRO CCSCC[C@@H](C)[NH2+]CCCC(C)C ZINC000133908507 325328136 /nfs/dbraw/zinc/32/81/36/325328136.db2.gz DMETZYSPANDDGB-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCC[C@H](C)[NH2+]CCCC(C)C ZINC000133908693 325328419 /nfs/dbraw/zinc/32/84/19/325328419.db2.gz DMETZYSPANDDGB-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO FC(F)c1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000133910476 591869262 /nfs/dbraw/zinc/86/92/62/591869262.db2.gz WLZLMRUAGXVSCE-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)C1CCC1 ZINC000133911429 134695186 /nfs/dbraw/zinc/69/51/86/134695186.db2.gz KIZADAJQYZELIV-GXFFZTMASA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)C1CCC1 ZINC000133911627 358772525 /nfs/dbraw/zinc/77/25/25/358772525.db2.gz KIZADAJQYZELIV-ZWNOBZJWSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@H]([NH2+][C@H]1CSc2ccccc21)C1CCC1 ZINC000133911812 358772455 /nfs/dbraw/zinc/77/24/55/358772455.db2.gz KIZADAJQYZELIV-GWCFXTLKSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSc2ccccc21)C1CCC1 ZINC000133912061 358771978 /nfs/dbraw/zinc/77/19/78/358771978.db2.gz KIZADAJQYZELIV-MFKMUULPSA-N 1 0 233.380 3.612 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000133918456 325329490 /nfs/dbraw/zinc/32/94/90/325329490.db2.gz SIAOPNFDWBPBSJ-KBPBESRZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000133918662 325329408 /nfs/dbraw/zinc/32/94/08/325329408.db2.gz SIAOPNFDWBPBSJ-KGLIPLIRSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000133918861 325329506 /nfs/dbraw/zinc/32/95/06/325329506.db2.gz SIAOPNFDWBPBSJ-UONOGXRCSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000133919082 323020742 /nfs/dbraw/zinc/02/07/42/323020742.db2.gz SIAOPNFDWBPBSJ-ZIAGYGMSSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCCSC ZINC000133922643 325330475 /nfs/dbraw/zinc/33/04/75/325330475.db2.gz YDZPKMSADNATEQ-CHWSQXEVSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCCCSC ZINC000133922837 325330585 /nfs/dbraw/zinc/33/05/85/325330585.db2.gz YDZPKMSADNATEQ-QWHCGFSZSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCCCSC ZINC000133923049 325330551 /nfs/dbraw/zinc/33/05/51/325330551.db2.gz YDZPKMSADNATEQ-OLZOCXBDSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCCCSC ZINC000133923249 325330443 /nfs/dbraw/zinc/33/04/43/325330443.db2.gz YDZPKMSADNATEQ-STQMWFEESA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000133926125 325331103 /nfs/dbraw/zinc/33/11/03/325331103.db2.gz YCHFGGUTIDDITF-JTQLQIEISA-N 1 0 229.414 3.542 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1ccsc1 ZINC000133926301 325330998 /nfs/dbraw/zinc/33/09/98/325330998.db2.gz YCHFGGUTIDDITF-SNVBAGLBSA-N 1 0 229.414 3.542 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000133929757 325331934 /nfs/dbraw/zinc/33/19/34/325331934.db2.gz FGTSSQBIDMGEEQ-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000133929939 325332106 /nfs/dbraw/zinc/33/21/06/325332106.db2.gz FGTSSQBIDMGEEQ-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000133930119 325332004 /nfs/dbraw/zinc/33/20/04/325332004.db2.gz FGTSSQBIDMGEEQ-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000133930326 325331937 /nfs/dbraw/zinc/33/19/37/325331937.db2.gz FGTSSQBIDMGEEQ-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CSC)c1ccccc1 ZINC000133932638 325332070 /nfs/dbraw/zinc/33/20/70/325332070.db2.gz ZZXFWJQINCLTPR-JSGCOSHPSA-N 1 0 237.412 3.869 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CSC)c1ccccc1 ZINC000133932847 325332136 /nfs/dbraw/zinc/33/21/36/325332136.db2.gz ZZXFWJQINCLTPR-GXTWGEPZSA-N 1 0 237.412 3.869 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccoc1 ZINC000133932959 491161058 /nfs/dbraw/zinc/16/10/58/491161058.db2.gz ZEKHQBFKURMNAZ-NSHDSACASA-N 1 0 240.306 3.612 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CSC)c1ccccc1 ZINC000133933068 325331837 /nfs/dbraw/zinc/33/18/37/325331837.db2.gz ZZXFWJQINCLTPR-OCCSQVGLSA-N 1 0 237.412 3.869 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccoc1 ZINC000133933101 491161060 /nfs/dbraw/zinc/16/10/60/491161060.db2.gz ZEKHQBFKURMNAZ-LLVKDONJSA-N 1 0 240.306 3.612 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CSC)c1ccccc1 ZINC000133933251 325332112 /nfs/dbraw/zinc/33/21/12/325332112.db2.gz ZZXFWJQINCLTPR-TZMCWYRMSA-N 1 0 237.412 3.869 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000133935038 325332021 /nfs/dbraw/zinc/33/20/21/325332021.db2.gz OMLFLWHPROCKFI-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000133935227 325332063 /nfs/dbraw/zinc/33/20/63/325332063.db2.gz OMLFLWHPROCKFI-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000133935419 325331962 /nfs/dbraw/zinc/33/19/62/325331962.db2.gz OMLFLWHPROCKFI-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000133935625 325332125 /nfs/dbraw/zinc/33/21/25/325332125.db2.gz OMLFLWHPROCKFI-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1CCCC1 ZINC000133938974 325332602 /nfs/dbraw/zinc/33/26/02/325332602.db2.gz GOUWBFSSOGDTFS-QBFSEMIESA-N 1 0 215.340 3.622 20 0 BHADRO Cc1cc(C[NH+]2CCC(C)(C)CC2)cc(C)c1O ZINC000133940253 325333110 /nfs/dbraw/zinc/33/31/10/325333110.db2.gz SNVMPPIZUGWEOI-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000133940662 325333018 /nfs/dbraw/zinc/33/30/18/325333018.db2.gz SIQPMRTXHJNXAH-NWDGAFQWSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CSC)cc1 ZINC000133940849 325332865 /nfs/dbraw/zinc/33/28/65/325332865.db2.gz SIQPMRTXHJNXAH-RYUDHWBXSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CSC)cc1 ZINC000133941048 325332895 /nfs/dbraw/zinc/33/28/95/325332895.db2.gz SIQPMRTXHJNXAH-VXGBXAGGSA-N 1 0 237.412 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CSC)cc1 ZINC000133941262 325333057 /nfs/dbraw/zinc/33/30/57/325333057.db2.gz SIQPMRTXHJNXAH-NEPJUHHUSA-N 1 0 237.412 3.651 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000133941479 323176691 /nfs/dbraw/zinc/17/66/91/323176691.db2.gz WYQSIVPHCQQDRZ-WCBMZHEXSA-N 1 0 243.441 3.767 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000133941662 325332968 /nfs/dbraw/zinc/33/29/68/325332968.db2.gz WYQSIVPHCQQDRZ-WPRPVWTQSA-N 1 0 243.441 3.767 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000133941884 325333076 /nfs/dbraw/zinc/33/30/76/325333076.db2.gz WYQSIVPHCQQDRZ-PSASIEDQSA-N 1 0 243.441 3.767 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000133942109 325333140 /nfs/dbraw/zinc/33/31/40/325333140.db2.gz WYQSIVPHCQQDRZ-SCZZXKLOSA-N 1 0 243.441 3.767 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(C)cc1 ZINC000133942326 325333037 /nfs/dbraw/zinc/33/30/37/325333037.db2.gz FDOVEVGFAMBUOP-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(C)cc1 ZINC000133942549 325333138 /nfs/dbraw/zinc/33/31/38/325333138.db2.gz FDOVEVGFAMBUOP-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(C)cc1 ZINC000133942783 325332870 /nfs/dbraw/zinc/33/28/70/325332870.db2.gz FDOVEVGFAMBUOP-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(C)cc1 ZINC000133942915 325332884 /nfs/dbraw/zinc/33/28/84/325332884.db2.gz FDOVEVGFAMBUOP-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000133950625 388472940 /nfs/dbraw/zinc/47/29/40/388472940.db2.gz UNSWEPHGXWDMIP-YUMQZZPRSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000133950829 388473235 /nfs/dbraw/zinc/47/32/35/388473235.db2.gz UNSWEPHGXWDMIP-SFYZADRCSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000133951051 388473001 /nfs/dbraw/zinc/47/30/01/388473001.db2.gz UNSWEPHGXWDMIP-JGVFFNPUSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000133951254 388473085 /nfs/dbraw/zinc/47/30/85/388473085.db2.gz UNSWEPHGXWDMIP-HTQZYQBOSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000133961207 325334054 /nfs/dbraw/zinc/33/40/54/325334054.db2.gz HPJILZOKOMTXFV-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000133961406 325334118 /nfs/dbraw/zinc/33/41/18/325334118.db2.gz HPJILZOKOMTXFV-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000133961596 325334170 /nfs/dbraw/zinc/33/41/70/325334170.db2.gz HPJILZOKOMTXFV-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000133961783 325333915 /nfs/dbraw/zinc/33/39/15/325333915.db2.gz HPJILZOKOMTXFV-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1cccs1 ZINC000133962017 325333935 /nfs/dbraw/zinc/33/39/35/325333935.db2.gz YTMKYYFKDRAYGP-UWVGGRQHSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccs1 ZINC000133962215 325334177 /nfs/dbraw/zinc/33/41/77/325334177.db2.gz YTMKYYFKDRAYGP-VHSXEESVSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1cccs1 ZINC000133962416 323020862 /nfs/dbraw/zinc/02/08/62/323020862.db2.gz YTMKYYFKDRAYGP-ZJUUUORDSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1cccs1 ZINC000133962632 325333939 /nfs/dbraw/zinc/33/39/39/325333939.db2.gz YTMKYYFKDRAYGP-NXEZZACHSA-N 1 0 229.414 3.540 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000133971057 491161283 /nfs/dbraw/zinc/16/12/83/491161283.db2.gz PRWRKJANQJJDGC-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000133971269 491161277 /nfs/dbraw/zinc/16/12/77/491161277.db2.gz PRWRKJANQJJDGC-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO CSC[C@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000133971862 325334762 /nfs/dbraw/zinc/33/47/62/325334762.db2.gz QEUOOGMXUIEZQO-LBPRGKRZSA-N 1 0 231.449 3.788 20 0 BHADRO CSC[C@@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000133972045 325334731 /nfs/dbraw/zinc/33/47/31/325334731.db2.gz QEUOOGMXUIEZQO-GFCCVEGCSA-N 1 0 231.449 3.788 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000133973102 591872119 /nfs/dbraw/zinc/87/21/19/591872119.db2.gz RQENDZXHLGSJSQ-IGQOVBAYSA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000133977166 591873796 /nfs/dbraw/zinc/87/37/96/591873796.db2.gz HBUCJCBWOVRWOM-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000133984876 325336259 /nfs/dbraw/zinc/33/62/59/325336259.db2.gz DJZBFYCQHSIUOV-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000133985080 325336412 /nfs/dbraw/zinc/33/64/12/325336412.db2.gz DJZBFYCQHSIUOV-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000133985261 325336493 /nfs/dbraw/zinc/33/64/93/325336493.db2.gz DJZBFYCQHSIUOV-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000133985501 325336386 /nfs/dbraw/zinc/33/63/86/325336386.db2.gz DJZBFYCQHSIUOV-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CSC ZINC000133985926 354065128 /nfs/dbraw/zinc/06/51/28/354065128.db2.gz KWGSULLSKWHLHI-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CSC ZINC000133986324 325336458 /nfs/dbraw/zinc/33/64/58/325336458.db2.gz KWGSULLSKWHLHI-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000133986632 591873827 /nfs/dbraw/zinc/87/38/27/591873827.db2.gz INBBFHSIDOTBRD-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO Oc1cccc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000133993603 358775453 /nfs/dbraw/zinc/77/54/53/358775453.db2.gz SPKDPLUPKNJHBB-UHFFFAOYSA-N 1 0 245.366 3.548 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000133995710 325336355 /nfs/dbraw/zinc/33/63/55/325336355.db2.gz RBURYNUYFZWNFT-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000133995900 325336314 /nfs/dbraw/zinc/33/63/14/325336314.db2.gz RBURYNUYFZWNFT-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000133996101 325336388 /nfs/dbraw/zinc/33/63/88/325336388.db2.gz RBURYNUYFZWNFT-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000133996312 354822730 /nfs/dbraw/zinc/82/27/30/354822730.db2.gz RBURYNUYFZWNFT-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000133998147 325336827 /nfs/dbraw/zinc/33/68/27/325336827.db2.gz KHTXTYJAZDSUPS-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1 ZINC000133998388 325336891 /nfs/dbraw/zinc/33/68/91/325336891.db2.gz KHTXTYJAZDSUPS-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO CSC[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000134002528 325337353 /nfs/dbraw/zinc/33/73/53/325337353.db2.gz BBJWWDJKRWEUDT-HIFPTAJRSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000134002703 325337333 /nfs/dbraw/zinc/33/73/33/325337333.db2.gz BBJWWDJKRWEUDT-PNESKVBLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H](C[NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000134003053 325337447 /nfs/dbraw/zinc/33/74/47/325337447.db2.gz FIQQNZBVAXVGLG-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000134003273 325337525 /nfs/dbraw/zinc/33/75/25/325337525.db2.gz FIQQNZBVAXVGLG-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000134003475 325337575 /nfs/dbraw/zinc/33/75/75/325337575.db2.gz FIQQNZBVAXVGLG-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000134003710 325337267 /nfs/dbraw/zinc/33/72/67/325337267.db2.gz FIQQNZBVAXVGLG-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)CSC ZINC000134010863 645870808 /nfs/dbraw/zinc/87/08/08/645870808.db2.gz ONCNQSRIEWKLQM-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)CSC ZINC000134011083 645870847 /nfs/dbraw/zinc/87/08/47/645870847.db2.gz ONCNQSRIEWKLQM-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)CSC ZINC000134011284 645870633 /nfs/dbraw/zinc/87/06/33/645870633.db2.gz ONCNQSRIEWKLQM-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)CSC ZINC000134011496 645870719 /nfs/dbraw/zinc/87/07/19/645870719.db2.gz ONCNQSRIEWKLQM-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CSC)s1 ZINC000134011720 325337492 /nfs/dbraw/zinc/33/74/92/325337492.db2.gz POQDCLGSTYWTII-VHSXEESVSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CSC)s1 ZINC000134011914 323021189 /nfs/dbraw/zinc/02/11/89/323021189.db2.gz POQDCLGSTYWTII-UWVGGRQHSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CSC)s1 ZINC000134012112 325337461 /nfs/dbraw/zinc/33/74/61/325337461.db2.gz POQDCLGSTYWTII-NXEZZACHSA-N 1 0 243.441 3.713 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CSC)s1 ZINC000134012326 325337378 /nfs/dbraw/zinc/33/73/78/325337378.db2.gz POQDCLGSTYWTII-ZJUUUORDSA-N 1 0 243.441 3.713 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C)CCCCC1 ZINC000134013526 325337790 /nfs/dbraw/zinc/33/77/90/325337790.db2.gz YWMRJKWSENQHMF-LBPRGKRZSA-N 1 0 237.412 3.992 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C)CCCCC1 ZINC000134013731 325337785 /nfs/dbraw/zinc/33/77/85/325337785.db2.gz YWMRJKWSENQHMF-GFCCVEGCSA-N 1 0 237.412 3.992 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000134017778 325337968 /nfs/dbraw/zinc/33/79/68/325337968.db2.gz WTFPSSSNTHZVRR-WOPDTQHZSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000134017967 325337945 /nfs/dbraw/zinc/33/79/45/325337945.db2.gz WTFPSSSNTHZVRR-SRVKXCTJSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000134018175 355333684 /nfs/dbraw/zinc/33/36/84/355333684.db2.gz WTFPSSSNTHZVRR-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000134018328 325338007 /nfs/dbraw/zinc/33/80/07/325338007.db2.gz WTFPSSSNTHZVRR-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)CCSC ZINC000134019415 584944632 /nfs/dbraw/zinc/94/46/32/584944632.db2.gz FHLDFTQXQXUCFS-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)CCSC ZINC000134019619 645871007 /nfs/dbraw/zinc/87/10/07/645871007.db2.gz FHLDFTQXQXUCFS-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)CCSC ZINC000134019816 645870793 /nfs/dbraw/zinc/87/07/93/645870793.db2.gz FHLDFTQXQXUCFS-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)CCSC ZINC000134020052 645869933 /nfs/dbraw/zinc/86/99/33/645869933.db2.gz FHLDFTQXQXUCFS-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000134020292 645870714 /nfs/dbraw/zinc/87/07/14/645870714.db2.gz IADCZDLSEANINX-GXSJLCMTSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000134020485 645870282 /nfs/dbraw/zinc/87/02/82/645870282.db2.gz IADCZDLSEANINX-ONGXEEELSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000134020687 645870836 /nfs/dbraw/zinc/87/08/36/645870836.db2.gz IADCZDLSEANINX-MWLCHTKSSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000134020880 645869816 /nfs/dbraw/zinc/86/98/16/645869816.db2.gz IADCZDLSEANINX-KOLCDFICSA-N 1 0 243.441 3.849 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C)CCCC1 ZINC000134024538 325338365 /nfs/dbraw/zinc/33/83/65/325338365.db2.gz WHQGSDFCDLJWSH-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C)CCCC1 ZINC000134024749 325338318 /nfs/dbraw/zinc/33/83/18/325338318.db2.gz WHQGSDFCDLJWSH-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000134030225 591874671 /nfs/dbraw/zinc/87/46/71/591874671.db2.gz JZVRBIAJMNYFKA-UWVGGRQHSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000134030408 591875726 /nfs/dbraw/zinc/87/57/26/591875726.db2.gz JZVRBIAJMNYFKA-ZJUUUORDSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000134030611 591874452 /nfs/dbraw/zinc/87/44/52/591874452.db2.gz JZVRBIAJMNYFKA-VHSXEESVSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000134030789 591874856 /nfs/dbraw/zinc/87/48/56/591874856.db2.gz JZVRBIAJMNYFKA-NXEZZACHSA-N 1 0 229.414 3.540 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)CCSC)CC1 ZINC000134031004 591875458 /nfs/dbraw/zinc/87/54/58/591875458.db2.gz JERVOOGHXQCDCJ-HIFPTAJRSA-N 1 0 229.433 3.686 20 0 BHADRO CCC1CCC([NH2+][C@H](C)CCSC)CC1 ZINC000134031195 591875248 /nfs/dbraw/zinc/87/52/48/591875248.db2.gz JERVOOGHXQCDCJ-PNESKVBLSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCSC)c1cccs1 ZINC000134036993 591875161 /nfs/dbraw/zinc/87/51/61/591875161.db2.gz DPLTUYUXUHXLBA-QWRGUYRKSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCSC)c1cccs1 ZINC000134037180 591874520 /nfs/dbraw/zinc/87/45/20/591874520.db2.gz DPLTUYUXUHXLBA-WDEREUQCSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCSC)c1cccs1 ZINC000134037369 591875214 /nfs/dbraw/zinc/87/52/14/591875214.db2.gz DPLTUYUXUHXLBA-MNOVXSKESA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCSC)c1cccs1 ZINC000134037539 591874933 /nfs/dbraw/zinc/87/49/33/591874933.db2.gz DPLTUYUXUHXLBA-GHMZBOCLSA-N 1 0 243.441 3.930 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000134041068 591877903 /nfs/dbraw/zinc/87/79/03/591877903.db2.gz MJVNNTWLDITAFO-WDEREUQCSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000134041283 591878422 /nfs/dbraw/zinc/87/84/22/591878422.db2.gz MJVNNTWLDITAFO-QWRGUYRKSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000134041473 591878188 /nfs/dbraw/zinc/87/81/88/591878188.db2.gz MJVNNTWLDITAFO-GHMZBOCLSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000134041674 591878378 /nfs/dbraw/zinc/87/83/78/591878378.db2.gz MJVNNTWLDITAFO-MNOVXSKESA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@H](C)[NH2+]C1CCCCCCC1 ZINC000134046302 591877281 /nfs/dbraw/zinc/87/72/81/591877281.db2.gz MXAFAZYATYOTSC-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CSCC[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000134046523 591878166 /nfs/dbraw/zinc/87/81/66/591878166.db2.gz MXAFAZYATYOTSC-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000134051633 591877784 /nfs/dbraw/zinc/87/77/84/591877784.db2.gz DVTIBXGSATZGEM-NEPJUHHUSA-N 1 0 217.422 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000134051861 591877771 /nfs/dbraw/zinc/87/77/71/591877771.db2.gz DVTIBXGSATZGEM-RYUDHWBXSA-N 1 0 217.422 3.542 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000134052028 325340321 /nfs/dbraw/zinc/34/03/21/325340321.db2.gz OALMEJLCEOOZGB-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000134052056 591878320 /nfs/dbraw/zinc/87/83/20/591878320.db2.gz DVTIBXGSATZGEM-VXGBXAGGSA-N 1 0 217.422 3.542 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000134052212 591877760 /nfs/dbraw/zinc/87/77/60/591877760.db2.gz DVTIBXGSATZGEM-NWDGAFQWSA-N 1 0 217.422 3.542 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1 ZINC000134052250 325340162 /nfs/dbraw/zinc/34/01/62/325340162.db2.gz OALMEJLCEOOZGB-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CCSC ZINC000134054727 591879018 /nfs/dbraw/zinc/87/90/18/591879018.db2.gz GIJIJKXBJVDYSR-RWMBFGLXSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CCSC ZINC000134055120 591879359 /nfs/dbraw/zinc/87/93/59/591879359.db2.gz GIJIJKXBJVDYSR-AVGNSLFASA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCSC)C1 ZINC000134058898 591878804 /nfs/dbraw/zinc/87/88/04/591878804.db2.gz KXMZODIWUCRHHB-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCSC)C1 ZINC000134059256 591879045 /nfs/dbraw/zinc/87/90/45/591879045.db2.gz KXMZODIWUCRHHB-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000134059636 591879469 /nfs/dbraw/zinc/87/94/69/591879469.db2.gz YHVHVCGMYIJQFJ-FPMFFAJLSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000134060043 591879287 /nfs/dbraw/zinc/87/92/87/591879287.db2.gz YHVHVCGMYIJQFJ-UBHSHLNASA-N 1 0 241.444 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000134065433 591880821 /nfs/dbraw/zinc/88/08/21/591880821.db2.gz LVRDJLOGIMVKPG-UWVGGRQHSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000134065596 591880672 /nfs/dbraw/zinc/88/06/72/591880672.db2.gz LVRDJLOGIMVKPG-ZJUUUORDSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000134065814 591880370 /nfs/dbraw/zinc/88/03/70/591880370.db2.gz LVRDJLOGIMVKPG-VHSXEESVSA-N 1 0 229.414 3.540 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000134065988 591880795 /nfs/dbraw/zinc/88/07/95/591880795.db2.gz LVRDJLOGIMVKPG-NXEZZACHSA-N 1 0 229.414 3.540 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)CCSC ZINC000134066964 584944649 /nfs/dbraw/zinc/94/46/49/584944649.db2.gz JFZKEEFJTXOMOW-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)CCSC ZINC000134067131 591880730 /nfs/dbraw/zinc/88/07/30/591880730.db2.gz JFZKEEFJTXOMOW-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)CCSC ZINC000134067332 591880270 /nfs/dbraw/zinc/88/02/70/591880270.db2.gz JFZKEEFJTXOMOW-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)CCSC ZINC000134067538 591880316 /nfs/dbraw/zinc/88/03/16/591880316.db2.gz JFZKEEFJTXOMOW-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000134070215 591881155 /nfs/dbraw/zinc/88/11/55/591881155.db2.gz NHICWJVFAZZNOV-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000134070426 591880293 /nfs/dbraw/zinc/88/02/93/591880293.db2.gz NHICWJVFAZZNOV-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000134072255 591880884 /nfs/dbraw/zinc/88/08/84/591880884.db2.gz NRGJTDQHEJRXPY-QWHCGFSZSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000134072467 591880809 /nfs/dbraw/zinc/88/08/09/591880809.db2.gz NRGJTDQHEJRXPY-STQMWFEESA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000134072653 591881033 /nfs/dbraw/zinc/88/10/33/591881033.db2.gz NRGJTDQHEJRXPY-CHWSQXEVSA-N 1 0 237.412 3.787 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000134072872 591880473 /nfs/dbraw/zinc/88/04/73/591880473.db2.gz NRGJTDQHEJRXPY-OLZOCXBDSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)CC2CC2)s1 ZINC000134082505 325342047 /nfs/dbraw/zinc/34/20/47/325342047.db2.gz RDDQHJQUJMXJSO-WDEREUQCSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)CC2CC2)s1 ZINC000134082702 325342293 /nfs/dbraw/zinc/34/22/93/325342293.db2.gz RDDQHJQUJMXJSO-QWRGUYRKSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)CC2CC2)s1 ZINC000134082880 325342239 /nfs/dbraw/zinc/34/22/39/325342239.db2.gz RDDQHJQUJMXJSO-GHMZBOCLSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)CC2CC2)s1 ZINC000134083095 323021609 /nfs/dbraw/zinc/02/16/09/323021609.db2.gz RDDQHJQUJMXJSO-MNOVXSKESA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CCC1)c1nccs1 ZINC000134091254 491161951 /nfs/dbraw/zinc/16/19/51/491161951.db2.gz WTGUNCKBEXHQOG-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CCC1)c1nccs1 ZINC000134091466 491161949 /nfs/dbraw/zinc/16/19/49/491161949.db2.gz WTGUNCKBEXHQOG-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CCC1)c1nccs1 ZINC000134091673 491161945 /nfs/dbraw/zinc/16/19/45/491161945.db2.gz WTGUNCKBEXHQOG-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CCC1)c1nccs1 ZINC000134091855 491161947 /nfs/dbraw/zinc/16/19/47/491161947.db2.gz WTGUNCKBEXHQOG-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C(C1CC1)C1CC1 ZINC000134096620 325342649 /nfs/dbraw/zinc/34/26/49/325342649.db2.gz HLATZWQHZNBSLP-NSHDSACASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C(C1CC1)C1CC1 ZINC000134096824 325342770 /nfs/dbraw/zinc/34/27/70/325342770.db2.gz HLATZWQHZNBSLP-LLVKDONJSA-N 1 0 247.357 3.535 20 0 BHADRO CCC[C@@H](CC)Nc1ccc(OC)cc1 ZINC000134118600 583667617 /nfs/dbraw/zinc/66/76/17/583667617.db2.gz PWWAPCWRGJPZFD-LLVKDONJSA-N 1 0 207.317 3.686 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cncs1 ZINC000134119343 358781182 /nfs/dbraw/zinc/78/11/82/358781182.db2.gz VMASKAAOETVVAK-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)c1cncs1 ZINC000134120990 591891314 /nfs/dbraw/zinc/89/13/14/591891314.db2.gz FAMIHEQKCUDMMO-NSHDSACASA-N 1 0 226.389 3.620 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)c1cncs1 ZINC000134121222 591891217 /nfs/dbraw/zinc/89/12/17/591891217.db2.gz FAMIHEQKCUDMMO-LLVKDONJSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCc3ccccc32)CCCS1 ZINC000134127081 134703579 /nfs/dbraw/zinc/70/35/79/134703579.db2.gz CJGHIOIWFQNJNK-HUUCEWRRSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCc3ccccc32)CCCS1 ZINC000134127272 358780735 /nfs/dbraw/zinc/78/07/35/358780735.db2.gz CJGHIOIWFQNJNK-CABCVRRESA-N 1 0 247.407 3.549 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCc3ccccc32)CCCS1 ZINC000134127469 134703588 /nfs/dbraw/zinc/70/35/88/134703588.db2.gz CJGHIOIWFQNJNK-LSDHHAIUSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCc3ccccc32)CCCS1 ZINC000134127663 358780689 /nfs/dbraw/zinc/78/06/89/358780689.db2.gz CJGHIOIWFQNJNK-GJZGRUSLSA-N 1 0 247.407 3.549 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000134127907 364390914 /nfs/dbraw/zinc/39/09/14/364390914.db2.gz KNVHCFJAWSLMTO-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000134128120 364390790 /nfs/dbraw/zinc/39/07/90/364390790.db2.gz KNVHCFJAWSLMTO-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000134128309 364391418 /nfs/dbraw/zinc/39/14/18/364391418.db2.gz KNVHCFJAWSLMTO-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000134128513 364391090 /nfs/dbraw/zinc/39/10/90/364391090.db2.gz KNVHCFJAWSLMTO-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000134194134 323022128 /nfs/dbraw/zinc/02/21/28/323022128.db2.gz OFTHXXSXRBWYEE-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000134194319 325348181 /nfs/dbraw/zinc/34/81/81/325348181.db2.gz OFTHXXSXRBWYEE-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000134198884 325348284 /nfs/dbraw/zinc/34/82/84/325348284.db2.gz ZFXHZPUBGMAEPW-CYBMUJFWSA-N 1 0 217.356 3.844 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000134199011 325348152 /nfs/dbraw/zinc/34/81/52/325348152.db2.gz ZFXHZPUBGMAEPW-ZDUSSCGKSA-N 1 0 217.356 3.844 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000134199612 325348423 /nfs/dbraw/zinc/34/84/23/325348423.db2.gz ODKGZAYXKYELSQ-CYBMUJFWSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000134199721 325348572 /nfs/dbraw/zinc/34/85/72/325348572.db2.gz ODKGZAYXKYELSQ-ZDUSSCGKSA-N 1 0 217.356 3.700 20 0 BHADRO C[C@@H](C[NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000134205954 175731496 /nfs/dbraw/zinc/73/14/96/175731496.db2.gz VFQPQVCGWFHRGD-NSHDSACASA-N 1 0 245.288 3.722 20 0 BHADRO C[C@H](C[NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000134206055 384339431 /nfs/dbraw/zinc/33/94/31/384339431.db2.gz VFQPQVCGWFHRGD-LLVKDONJSA-N 1 0 245.288 3.722 20 0 BHADRO CC(C)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223239 325349265 /nfs/dbraw/zinc/34/92/65/325349265.db2.gz KSPJNEVVMWVFNL-UHFFFAOYSA-N 1 0 237.730 3.832 20 0 BHADRO CCCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223267 325349479 /nfs/dbraw/zinc/34/94/79/325349479.db2.gz WJPWKJYJPFLVBY-UHFFFAOYSA-N 1 0 237.730 3.976 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223379 325349312 /nfs/dbraw/zinc/34/93/12/325349312.db2.gz QWOKVKKKBQRMGI-SECBINFHSA-N 1 0 237.730 3.974 20 0 BHADRO CC[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223402 325349297 /nfs/dbraw/zinc/34/92/97/325349297.db2.gz QWOKVKKKBQRMGI-VIFPVBQESA-N 1 0 237.730 3.974 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+]CC1CC1 ZINC000134223563 358783742 /nfs/dbraw/zinc/78/37/42/358783742.db2.gz HAJZTBJDYSZZRD-UHFFFAOYSA-N 1 0 235.714 3.586 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+]C1CCC1 ZINC000134223676 358784226 /nfs/dbraw/zinc/78/42/26/358784226.db2.gz SIYZQBJOLADURV-UHFFFAOYSA-N 1 0 235.714 3.728 20 0 BHADRO CCCC(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000134230192 325349888 /nfs/dbraw/zinc/34/98/88/325349888.db2.gz BHHGDUXGQAUPFN-NSHDSACASA-N 1 0 225.401 3.847 20 0 BHADRO CCCC(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000134230214 325349612 /nfs/dbraw/zinc/34/96/12/325349612.db2.gz BHHGDUXGQAUPFN-LLVKDONJSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2ccccc2)CC1 ZINC000134235007 325349759 /nfs/dbraw/zinc/34/97/59/325349759.db2.gz FEDRPXNHNHEEKU-CQSZACIVSA-N 1 0 217.356 3.844 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2ccccc2)CC1 ZINC000134235025 325349928 /nfs/dbraw/zinc/34/99/28/325349928.db2.gz FEDRPXNHNHEEKU-AWEZNQCLSA-N 1 0 217.356 3.844 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235314 325349995 /nfs/dbraw/zinc/34/99/95/325349995.db2.gz NHBCKTZFKDGPJO-CYBMUJFWSA-N 1 0 217.356 3.700 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235331 325349973 /nfs/dbraw/zinc/34/99/73/325349973.db2.gz NHBCKTZFKDGPJO-ZDUSSCGKSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235362 325349823 /nfs/dbraw/zinc/34/98/23/325349823.db2.gz DQFVJSSDQOGCLO-CHWSQXEVSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235385 325349945 /nfs/dbraw/zinc/34/99/45/325349945.db2.gz DQFVJSSDQOGCLO-QWHCGFSZSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235406 325349993 /nfs/dbraw/zinc/34/99/93/325349993.db2.gz DQFVJSSDQOGCLO-OLZOCXBDSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235432 325349796 /nfs/dbraw/zinc/34/97/96/325349796.db2.gz DQFVJSSDQOGCLO-STQMWFEESA-N 1 0 217.356 3.700 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235579 325349800 /nfs/dbraw/zinc/34/98/00/325349800.db2.gz ISRYDQTVGXMWQV-CYBMUJFWSA-N 1 0 217.356 3.844 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134235600 325349987 /nfs/dbraw/zinc/34/99/87/325349987.db2.gz ISRYDQTVGXMWQV-ZDUSSCGKSA-N 1 0 217.356 3.844 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000134236005 325349863 /nfs/dbraw/zinc/34/98/63/325349863.db2.gz DKEKPVATNHQNEC-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000134236026 325349637 /nfs/dbraw/zinc/34/96/37/325349637.db2.gz DKEKPVATNHQNEC-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000134236607 325349882 /nfs/dbraw/zinc/34/98/82/325349882.db2.gz ZJEJDNKDTSWJLS-SNVBAGLBSA-N 1 0 223.747 3.717 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000134236631 325349879 /nfs/dbraw/zinc/34/98/79/325349879.db2.gz ZJEJDNKDTSWJLS-JTQLQIEISA-N 1 0 223.747 3.717 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000134236662 325349622 /nfs/dbraw/zinc/34/96/22/325349622.db2.gz AEBMQIRFPQYRTC-LLVKDONJSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000134236685 325349662 /nfs/dbraw/zinc/34/96/62/325349662.db2.gz AEBMQIRFPQYRTC-NSHDSACASA-N 1 0 237.774 3.963 20 0 BHADRO CCC(C)(CC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000134240750 325350386 /nfs/dbraw/zinc/35/03/86/325350386.db2.gz XEPNCEQYASWYRR-NSHDSACASA-N 1 0 225.401 3.847 20 0 BHADRO CCC(C)(CC)[NH2+][C@H](C)Cc1ccsc1 ZINC000134240772 325350416 /nfs/dbraw/zinc/35/04/16/325350416.db2.gz XEPNCEQYASWYRR-LLVKDONJSA-N 1 0 225.401 3.847 20 0 BHADRO CCC[C@@H](CC)Nc1ccc2c(c1)CCO2 ZINC000134262512 591907822 /nfs/dbraw/zinc/90/78/22/591907822.db2.gz GZFYBWMESJDRQU-GFCCVEGCSA-N 1 0 219.328 3.612 20 0 BHADRO CCC[C@H](CC)Nc1ccc2c(c1)CCO2 ZINC000134262533 591908184 /nfs/dbraw/zinc/90/81/84/591908184.db2.gz GZFYBWMESJDRQU-LBPRGKRZSA-N 1 0 219.328 3.612 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000134264217 325351402 /nfs/dbraw/zinc/35/14/02/325351402.db2.gz LVFAKWPZUFGBDJ-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000134264237 325351618 /nfs/dbraw/zinc/35/16/18/325351618.db2.gz LVFAKWPZUFGBDJ-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000134266171 325351434 /nfs/dbraw/zinc/35/14/34/325351434.db2.gz CJJPKUFMGCDWMR-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000134266191 325351537 /nfs/dbraw/zinc/35/15/37/325351537.db2.gz CJJPKUFMGCDWMR-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000134266649 325351475 /nfs/dbraw/zinc/35/14/75/325351475.db2.gz HBVIQSXJCNYWJN-SNVBAGLBSA-N 1 0 223.747 3.717 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000134266668 325351375 /nfs/dbraw/zinc/35/13/75/325351375.db2.gz HBVIQSXJCNYWJN-JTQLQIEISA-N 1 0 223.747 3.717 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000134266698 325351581 /nfs/dbraw/zinc/35/15/81/325351581.db2.gz RQTVEYQAERCWAD-LLVKDONJSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000134266722 325351572 /nfs/dbraw/zinc/35/15/72/325351572.db2.gz RQTVEYQAERCWAD-NSHDSACASA-N 1 0 237.774 3.963 20 0 BHADRO CCC1([NH2+][C@@H](C)Cc2ccsc2)CCC1 ZINC000134273240 325352012 /nfs/dbraw/zinc/35/20/12/325352012.db2.gz SRDDHEVXWNSTOL-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO CCC1([NH2+][C@H](C)Cc2ccsc2)CCC1 ZINC000134273262 325351910 /nfs/dbraw/zinc/35/19/10/325351910.db2.gz SRDDHEVXWNSTOL-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO Cc1cnc(C(C)(C)[NH2+][C@@H](C)CC(C)C)s1 ZINC000134277085 358785474 /nfs/dbraw/zinc/78/54/74/358785474.db2.gz DGZPWKGRHQISKW-JTQLQIEISA-N 1 0 240.416 3.711 20 0 BHADRO Cc1cnc(C(C)(C)[NH2+][C@H](C)CC(C)C)s1 ZINC000134277109 358785700 /nfs/dbraw/zinc/78/57/00/358785700.db2.gz DGZPWKGRHQISKW-SNVBAGLBSA-N 1 0 240.416 3.711 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)nc1 ZINC000134282161 491162901 /nfs/dbraw/zinc/16/29/01/491162901.db2.gz ZZEFQUQCDYPCHQ-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)nc1 ZINC000134282183 491162922 /nfs/dbraw/zinc/16/29/22/491162922.db2.gz ZZEFQUQCDYPCHQ-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)nc1 ZINC000134282206 491162918 /nfs/dbraw/zinc/16/29/18/491162918.db2.gz ZZEFQUQCDYPCHQ-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)nc1 ZINC000134282225 491162915 /nfs/dbraw/zinc/16/29/15/491162915.db2.gz ZZEFQUQCDYPCHQ-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc([C@H]([NH2+]Cc2ccoc2)C2CC2)cc1 ZINC000134284011 325352252 /nfs/dbraw/zinc/35/22/52/325352252.db2.gz OGPHIGGUKBNDQZ-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccc([C@@H]([NH2+]Cc2ccoc2)C2CC2)cc1 ZINC000134284027 325352522 /nfs/dbraw/zinc/35/25/22/325352522.db2.gz OGPHIGGUKBNDQZ-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000134285490 323022806 /nfs/dbraw/zinc/02/28/06/323022806.db2.gz MYNASEDHYUIWBS-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1ccc2c(c1)CCC2 ZINC000134285904 384346162 /nfs/dbraw/zinc/34/61/62/384346162.db2.gz ZMGJERCOWPDNFS-LBPRGKRZSA-N 1 0 241.334 3.619 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc2c(c1)CCC2 ZINC000134285931 384346979 /nfs/dbraw/zinc/34/69/79/384346979.db2.gz ZMGJERCOWPDNFS-GFCCVEGCSA-N 1 0 241.334 3.619 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccoc1 ZINC000134287319 384344977 /nfs/dbraw/zinc/34/49/77/384344977.db2.gz ATMNIGHBUDEKKI-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccoc1 ZINC000134287341 384345097 /nfs/dbraw/zinc/34/50/97/384345097.db2.gz ATMNIGHBUDEKKI-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000134287792 591911488 /nfs/dbraw/zinc/91/14/88/591911488.db2.gz WODDFFRFVZGYDX-ZDUSSCGKSA-N 1 0 235.371 3.869 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000134287817 591911523 /nfs/dbraw/zinc/91/15/23/591911523.db2.gz WODDFFRFVZGYDX-CYBMUJFWSA-N 1 0 235.371 3.869 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000134288178 386406822 /nfs/dbraw/zinc/40/68/22/386406822.db2.gz SNZDRXUWZYMLLZ-AWEZNQCLSA-N 1 0 233.286 3.660 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000134288201 353478887 /nfs/dbraw/zinc/47/88/87/353478887.db2.gz SNZDRXUWZYMLLZ-CQSZACIVSA-N 1 0 233.286 3.660 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1C ZINC000134288465 384346142 /nfs/dbraw/zinc/34/61/42/384346142.db2.gz PLXPFKYOPMTUHE-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1C ZINC000134288483 384346685 /nfs/dbraw/zinc/34/66/85/384346685.db2.gz PLXPFKYOPMTUHE-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCCc3ccccc32)co1 ZINC000134289129 386404932 /nfs/dbraw/zinc/40/49/32/386404932.db2.gz KFCLLTLYEYILEB-INIZCTEOSA-N 1 0 241.334 3.837 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCCc3ccccc32)co1 ZINC000134289151 386405312 /nfs/dbraw/zinc/40/53/12/386405312.db2.gz KFCLLTLYEYILEB-MRXNPFEDSA-N 1 0 241.334 3.837 20 0 BHADRO Cc1ccc(CNc2ccc3c([nH+]2)CCC3)s1 ZINC000134293735 358786004 /nfs/dbraw/zinc/78/60/04/358786004.db2.gz SWHGYUZJWXGMCI-UHFFFAOYSA-N 1 0 244.363 3.552 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000134294263 591913046 /nfs/dbraw/zinc/91/30/46/591913046.db2.gz QKBBPBVNRTYKHE-OAHLLOKOSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000134294286 591912738 /nfs/dbraw/zinc/91/27/38/591912738.db2.gz QKBBPBVNRTYKHE-HNNXBMFYSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000134294690 591912598 /nfs/dbraw/zinc/91/25/98/591912598.db2.gz JPUMJNIRPDVKOE-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000134294715 591913018 /nfs/dbraw/zinc/91/30/18/591913018.db2.gz JPUMJNIRPDVKOE-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000134294737 591913106 /nfs/dbraw/zinc/91/31/06/591913106.db2.gz JPUMJNIRPDVKOE-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000134294761 591912764 /nfs/dbraw/zinc/91/27/64/591912764.db2.gz JPUMJNIRPDVKOE-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccsc1CNc1ccc2c([nH+]1)CCC2 ZINC000134299762 358785752 /nfs/dbraw/zinc/78/57/52/358785752.db2.gz ATXPXHACUWDBRX-UHFFFAOYSA-N 1 0 244.363 3.552 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000134303541 591914732 /nfs/dbraw/zinc/91/47/32/591914732.db2.gz CPQYSLPIFRSDHY-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000134303561 591914942 /nfs/dbraw/zinc/91/49/42/591914942.db2.gz CPQYSLPIFRSDHY-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000134305788 325353257 /nfs/dbraw/zinc/35/32/57/325353257.db2.gz RMJQANVQAXXPIP-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C(C)(C)C ZINC000134313048 343194344 /nfs/dbraw/zinc/19/43/44/343194344.db2.gz VMDUCCJIJQLBOD-SECBINFHSA-N 1 0 238.400 3.545 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(OCC)cc1 ZINC000134316390 325353760 /nfs/dbraw/zinc/35/37/60/325353760.db2.gz TVHCXFYROCWZKA-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)ccc1OC ZINC000134316493 325353801 /nfs/dbraw/zinc/35/38/01/325353801.db2.gz QJVRPKUHCMBLNV-UHFFFAOYSA-N 1 0 235.371 3.672 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cnc(C2CC2)s1 ZINC000134332894 323198407 /nfs/dbraw/zinc/19/84/07/323198407.db2.gz XNIXVJIPCRPKOM-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC[C@H](Nc1cc(C)cc(C)[nH+]1)C(C)C ZINC000134350150 325354846 /nfs/dbraw/zinc/35/48/46/325354846.db2.gz LLNDBIQYRLJTCL-LBPRGKRZSA-N 1 0 206.333 3.545 20 0 BHADRO CC[C@@H](Nc1cc(C)cc(C)[nH+]1)C(C)C ZINC000134350173 325354751 /nfs/dbraw/zinc/35/47/51/325354751.db2.gz LLNDBIQYRLJTCL-GFCCVEGCSA-N 1 0 206.333 3.545 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1cc(C)cc(C)[nH+]1 ZINC000134351346 325354926 /nfs/dbraw/zinc/35/49/26/325354926.db2.gz XVUXKQXJBJJNHQ-ZYHUDNBSSA-N 1 0 206.333 3.545 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1cc(C)cc(C)[nH+]1 ZINC000134351370 325354794 /nfs/dbraw/zinc/35/47/94/325354794.db2.gz XVUXKQXJBJJNHQ-CMPLNLGQSA-N 1 0 206.333 3.545 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1cc(C)cc(C)[nH+]1 ZINC000134351391 325354904 /nfs/dbraw/zinc/35/49/04/325354904.db2.gz XVUXKQXJBJJNHQ-PWSUYJOCSA-N 1 0 206.333 3.545 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1cc(C)cc(C)[nH+]1 ZINC000134351410 325354718 /nfs/dbraw/zinc/35/47/18/325354718.db2.gz XVUXKQXJBJJNHQ-JQWIXIFHSA-N 1 0 206.333 3.545 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(C)cn1 ZINC000134389955 325356900 /nfs/dbraw/zinc/35/69/00/325356900.db2.gz JUTSQGBVJLOXGO-CQSZACIVSA-N 1 0 234.387 3.839 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccc(C)cn1 ZINC000134389978 325356811 /nfs/dbraw/zinc/35/68/11/325356811.db2.gz JUTSQGBVJLOXGO-AWEZNQCLSA-N 1 0 234.387 3.839 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCSCC2)cc1C ZINC000134415080 325357838 /nfs/dbraw/zinc/35/78/38/325357838.db2.gz FNHQMISADQXXOA-UHFFFAOYSA-N 1 0 249.423 3.597 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000134446098 325359044 /nfs/dbraw/zinc/35/90/44/325359044.db2.gz JKJWXCHWCZFALO-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000134446295 325358847 /nfs/dbraw/zinc/35/88/47/325358847.db2.gz IBBJEHQZCHJJPG-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CC(C)C[N@H+](CCc1ccncc1)CC(C)(C)C ZINC000134446451 325358916 /nfs/dbraw/zinc/35/89/16/325358916.db2.gz QRYVFPLQMWKDPG-UHFFFAOYSA-N 1 0 248.414 3.628 20 0 BHADRO CC(C)C[N@H+](CCc1ccccn1)CC(C)(C)C ZINC000134449865 325359283 /nfs/dbraw/zinc/35/92/83/325359283.db2.gz SJKWWOZUAAWOTN-UHFFFAOYSA-N 1 0 248.414 3.628 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000134451788 387806481 /nfs/dbraw/zinc/80/64/81/387806481.db2.gz ZUGVTFKDRTXNND-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000134451808 387808243 /nfs/dbraw/zinc/80/82/43/387808243.db2.gz ZUGVTFKDRTXNND-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CC(C)C[N@H+](Cc1ccccn1)CC(C)(C)C ZINC000134461785 358790340 /nfs/dbraw/zinc/79/03/40/358790340.db2.gz PXSHQGRUEBIBEV-UHFFFAOYSA-N 1 0 234.387 3.586 20 0 BHADRO CC(C)C[N@H+](CCCCCCO)CC(C)(C)C ZINC000134462734 591929014 /nfs/dbraw/zinc/92/90/14/591929014.db2.gz DLGTVLPNERPZEV-UHFFFAOYSA-N 1 0 243.435 3.543 20 0 BHADRO Fc1ccc([C@H]([NH2+]Cc2ccoc2)C2CC2)cc1 ZINC000134471941 384358608 /nfs/dbraw/zinc/35/86/08/384358608.db2.gz WHLZQVXGCDHUGE-OAHLLOKOSA-N 1 0 245.297 3.660 20 0 BHADRO Fc1ccc([C@@H]([NH2+]Cc2ccoc2)C2CC2)cc1 ZINC000134471959 384357281 /nfs/dbraw/zinc/35/72/81/384357281.db2.gz WHLZQVXGCDHUGE-HNNXBMFYSA-N 1 0 245.297 3.660 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccnc2ccccc12 ZINC000134482126 325360735 /nfs/dbraw/zinc/36/07/35/325360735.db2.gz WQSLEJPHQAFTBW-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO C[C@@H](CNc1cc[nH+]c2ccccc12)C1CC1 ZINC000134508425 342859602 /nfs/dbraw/zinc/85/96/02/342859602.db2.gz SSKDQNWSJKUDBR-NSHDSACASA-N 1 0 226.323 3.693 20 0 BHADRO C[C@H](CNc1cc[nH+]c2ccccc12)C1CC1 ZINC000134508447 342859676 /nfs/dbraw/zinc/85/96/76/342859676.db2.gz SSKDQNWSJKUDBR-LLVKDONJSA-N 1 0 226.323 3.693 20 0 BHADRO Cc1cc(NCc2ccoc2)c2ccccc2[nH+]1 ZINC000134508934 325362333 /nfs/dbraw/zinc/36/23/33/325362333.db2.gz HVVSTUUPAOYZHY-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000134520425 325363269 /nfs/dbraw/zinc/36/32/69/325363269.db2.gz NQBKGYTZQDNMNH-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(OCC)c1 ZINC000134520534 325363042 /nfs/dbraw/zinc/36/30/42/325363042.db2.gz MGYKJDOQYIRCFB-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000134520624 325363047 /nfs/dbraw/zinc/36/30/47/325363047.db2.gz PUQNQAYCQZPSBE-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccoc1 ZINC000134521783 591934296 /nfs/dbraw/zinc/93/42/96/591934296.db2.gz RCEVNBLCBNXSPL-UHFFFAOYSA-N 1 0 243.350 3.781 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)ccc1C ZINC000134534130 325364276 /nfs/dbraw/zinc/36/42/76/325364276.db2.gz XBARGPANCHKEJJ-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CC1 ZINC000134540526 325364648 /nfs/dbraw/zinc/36/46/48/325364648.db2.gz XSJMLRMWRVTAAR-CQSZACIVSA-N 1 0 235.396 3.555 20 0 BHADRO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CC1 ZINC000134540547 325364591 /nfs/dbraw/zinc/36/45/91/325364591.db2.gz XSJMLRMWRVTAAR-AWEZNQCLSA-N 1 0 235.396 3.555 20 0 BHADRO CCCCCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134542554 591935708 /nfs/dbraw/zinc/93/57/08/591935708.db2.gz ZRBULJHRENDGHO-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000134550384 325364945 /nfs/dbraw/zinc/36/49/45/325364945.db2.gz ZQPCTTDKPSDXPP-MDZLAQPJSA-N 1 0 235.371 3.927 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000134550425 325364770 /nfs/dbraw/zinc/36/47/70/325364770.db2.gz ZQPCTTDKPSDXPP-NTZNESFSSA-N 1 0 235.371 3.927 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)C(C)(C)C ZINC000134550985 325364827 /nfs/dbraw/zinc/36/48/27/325364827.db2.gz DKRNGOSSTJPTCL-NSHDSACASA-N 1 0 231.339 3.957 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(C)(C)C ZINC000134550999 325364786 /nfs/dbraw/zinc/36/47/86/325364786.db2.gz DKRNGOSSTJPTCL-LLVKDONJSA-N 1 0 231.339 3.957 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000134551127 325364969 /nfs/dbraw/zinc/36/49/69/325364969.db2.gz QUTRAHFFIPOTJE-ZDUSSCGKSA-N 1 0 249.398 3.998 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000134551149 325364966 /nfs/dbraw/zinc/36/49/66/325364966.db2.gz QUTRAHFFIPOTJE-CYBMUJFWSA-N 1 0 249.398 3.998 20 0 BHADRO C[C@@H]([NH2+]Cc1ccnc2ccccc12)C(C)(C)C ZINC000134552797 488059970 /nfs/dbraw/zinc/05/99/70/488059970.db2.gz JBJXWISIFIDBBC-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000134553028 325365124 /nfs/dbraw/zinc/36/51/24/325365124.db2.gz VAYJHKSLASZZOF-LBPRGKRZSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000134553050 325365264 /nfs/dbraw/zinc/36/52/64/325365264.db2.gz VAYJHKSLASZZOF-GFCCVEGCSA-N 1 0 235.371 3.610 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)C1CC1 ZINC000134563440 538113321 /nfs/dbraw/zinc/11/33/21/538113321.db2.gz QPDYXPUSLJPUEF-KGLIPLIRSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)C1CC1 ZINC000134563459 538113206 /nfs/dbraw/zinc/11/32/06/538113206.db2.gz QPDYXPUSLJPUEF-ZIAGYGMSSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)C1CC1 ZINC000134563485 538113125 /nfs/dbraw/zinc/11/31/25/538113125.db2.gz QPDYXPUSLJPUEF-KBPBESRZSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)C1CC1 ZINC000134563502 538113076 /nfs/dbraw/zinc/11/30/76/538113076.db2.gz QPDYXPUSLJPUEF-UONOGXRCSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563633 342868166 /nfs/dbraw/zinc/86/81/66/342868166.db2.gz YRZYDOZSXZIATD-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563653 342868195 /nfs/dbraw/zinc/86/81/95/342868195.db2.gz YRZYDOZSXZIATD-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563674 358795249 /nfs/dbraw/zinc/79/52/49/358795249.db2.gz YRZYDOZSXZIATD-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000134563694 342868274 /nfs/dbraw/zinc/86/82/74/342868274.db2.gz YRZYDOZSXZIATD-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000134563725 342868200 /nfs/dbraw/zinc/86/82/00/342868200.db2.gz XRROFOFAMDMHJS-BLLLJJGKSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000134563746 342868339 /nfs/dbraw/zinc/86/83/39/342868339.db2.gz XRROFOFAMDMHJS-MLGOLLRUSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000134563766 342868243 /nfs/dbraw/zinc/86/82/43/342868243.db2.gz XRROFOFAMDMHJS-LRDDRELGSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000134563787 342868169 /nfs/dbraw/zinc/86/81/69/342868169.db2.gz XRROFOFAMDMHJS-WBMJQRKESA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563917 342868280 /nfs/dbraw/zinc/86/82/80/342868280.db2.gz RKCKVIYIYRSZIV-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563935 342868285 /nfs/dbraw/zinc/86/82/85/342868285.db2.gz RKCKVIYIYRSZIV-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563953 342868233 /nfs/dbraw/zinc/86/82/33/342868233.db2.gz RKCKVIYIYRSZIV-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000134563972 342868213 /nfs/dbraw/zinc/86/82/13/342868213.db2.gz RKCKVIYIYRSZIV-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000134564004 342868186 /nfs/dbraw/zinc/86/81/86/342868186.db2.gz MWFLJEILHPZFSY-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000134564023 342868168 /nfs/dbraw/zinc/86/81/68/342868168.db2.gz MWFLJEILHPZFSY-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000134564047 342868257 /nfs/dbraw/zinc/86/82/57/342868257.db2.gz MWFLJEILHPZFSY-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)c(F)c1 ZINC000134564066 342868220 /nfs/dbraw/zinc/86/82/20/342868220.db2.gz MWFLJEILHPZFSY-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134584341 325366208 /nfs/dbraw/zinc/36/62/08/325366208.db2.gz LMPYLDNOUAGPTL-PNESKVBLSA-N 1 0 227.392 3.501 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134584367 325366108 /nfs/dbraw/zinc/36/61/08/325366108.db2.gz LMPYLDNOUAGPTL-HIFPTAJRSA-N 1 0 227.392 3.501 20 0 BHADRO CC[C@H]([NH2+]CC1CCSCC1)c1ccccc1 ZINC000134603947 358798154 /nfs/dbraw/zinc/79/81/54/358798154.db2.gz JCNOFNTURIOUCV-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CC[C@@H]([NH2+]CC1CCSCC1)c1ccccc1 ZINC000134603967 358798117 /nfs/dbraw/zinc/79/81/17/358798117.db2.gz JCNOFNTURIOUCV-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CC2CCSCC2)c1 ZINC000134606712 325367457 /nfs/dbraw/zinc/36/74/57/325367457.db2.gz GMKBLPWCAYZPDP-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CC2CCSCC2)c1 ZINC000134607631 325367362 /nfs/dbraw/zinc/36/73/62/325367362.db2.gz IRMUONWDQAICIV-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCSCC2)c(C)c1 ZINC000134609034 325367263 /nfs/dbraw/zinc/36/72/63/325367263.db2.gz HZISQUWTSPFOOI-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCSCC2)cc1C ZINC000134610344 325367398 /nfs/dbraw/zinc/36/73/98/325367398.db2.gz ZQIXAYGBAHQOIJ-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cccc(C[NH2+]CC2CCSCC2)c1C ZINC000134611964 325367854 /nfs/dbraw/zinc/36/78/54/325367854.db2.gz WFUZGHOCXXYTGH-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000134635516 325369108 /nfs/dbraw/zinc/36/91/08/325369108.db2.gz YDOIXUYOFQFHIE-ZDUSSCGKSA-N 1 0 249.398 3.998 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000134635536 325369155 /nfs/dbraw/zinc/36/91/55/325369155.db2.gz YDOIXUYOFQFHIE-CYBMUJFWSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000134647677 325369929 /nfs/dbraw/zinc/36/99/29/325369929.db2.gz COHMYPAZFJVIQZ-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000134647702 325369874 /nfs/dbraw/zinc/36/98/74/325369874.db2.gz COHMYPAZFJVIQZ-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000134647725 325369731 /nfs/dbraw/zinc/36/97/31/325369731.db2.gz COHMYPAZFJVIQZ-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000134647750 325369744 /nfs/dbraw/zinc/36/97/44/325369744.db2.gz COHMYPAZFJVIQZ-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000134647875 591945126 /nfs/dbraw/zinc/94/51/26/591945126.db2.gz ITGDSOWBILOGOI-MQYQWHSLSA-N 1 0 241.444 3.829 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000134647906 325369923 /nfs/dbraw/zinc/36/99/23/325369923.db2.gz VKWNPDHHMKQUSU-LBPRGKRZSA-N 1 0 235.371 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000134647930 323025124 /nfs/dbraw/zinc/02/51/24/323025124.db2.gz VKWNPDHHMKQUSU-GFCCVEGCSA-N 1 0 235.371 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000134649393 325370301 /nfs/dbraw/zinc/37/03/01/325370301.db2.gz PPJKUIXGKFLRKN-OCCSQVGLSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000134649413 325370273 /nfs/dbraw/zinc/37/02/73/325370273.db2.gz PPJKUIXGKFLRKN-JSGCOSHPSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000134649434 325370387 /nfs/dbraw/zinc/37/03/87/325370387.db2.gz PPJKUIXGKFLRKN-TZMCWYRMSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000134649454 325370304 /nfs/dbraw/zinc/37/03/04/325370304.db2.gz PPJKUIXGKFLRKN-GXTWGEPZSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccoc2)ccc1Cl ZINC000134652336 323025093 /nfs/dbraw/zinc/02/50/93/323025093.db2.gz DDMJKCLSKTZACV-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134652578 325370307 /nfs/dbraw/zinc/37/03/07/325370307.db2.gz CMTMCMLTWIJPBF-UHFFFAOYSA-N 1 0 225.763 3.927 20 0 BHADRO CC(C)[C@@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000134674244 325371536 /nfs/dbraw/zinc/37/15/36/325371536.db2.gz OOOKOMSZJAUQNN-OAHLLOKOSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)[C@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000134674265 325371694 /nfs/dbraw/zinc/37/16/94/325371694.db2.gz OOOKOMSZJAUQNN-HNNXBMFYSA-N 1 0 217.356 3.568 20 0 BHADRO c1ccc([C@H]([NH2+]C2CCC2)C2CCC2)cc1 ZINC000134681299 541359896 /nfs/dbraw/zinc/35/98/96/541359896.db2.gz PCIOBMJFWZVMAB-HNNXBMFYSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CCC2)C2CCC2)cc1 ZINC000134681319 541359814 /nfs/dbraw/zinc/35/98/14/541359814.db2.gz PCIOBMJFWZVMAB-OAHLLOKOSA-N 1 0 215.340 3.670 20 0 BHADRO C1CC([NH2+]C(C2CCCC2)C2CCCC2)C1 ZINC000134685975 591946108 /nfs/dbraw/zinc/94/61/08/591946108.db2.gz SOVJQMDYWYDZAV-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)C1CCC(C[NH2+]C2CCC2)CC1 ZINC000134701497 325372376 /nfs/dbraw/zinc/37/23/76/325372376.db2.gz YGGGWOAARWQHTM-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC1(OC)CCC1 ZINC000134716925 591947068 /nfs/dbraw/zinc/94/70/68/591947068.db2.gz QONDAOIAEYMGMS-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC1(OC)CCC1 ZINC000134716944 591947291 /nfs/dbraw/zinc/94/72/91/591947291.db2.gz QONDAOIAEYMGMS-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000134719046 323247191 /nfs/dbraw/zinc/24/71/91/323247191.db2.gz RUDOJFBZNMTTDC-HUBLWGQQSA-N 1 0 217.356 3.616 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000134719085 325372978 /nfs/dbraw/zinc/37/29/78/325372978.db2.gz RUDOJFBZNMTTDC-SLEUVZQESA-N 1 0 217.356 3.616 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000134729655 591946018 /nfs/dbraw/zinc/94/60/18/591946018.db2.gz LGLMHHZRWLKFKA-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000134729679 591947467 /nfs/dbraw/zinc/94/74/67/591947467.db2.gz LGLMHHZRWLKFKA-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000134729702 591947683 /nfs/dbraw/zinc/94/76/83/591947683.db2.gz LGLMHHZRWLKFKA-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000134729723 591947688 /nfs/dbraw/zinc/94/76/88/591947688.db2.gz LGLMHHZRWLKFKA-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@@H]1CCCCO1 ZINC000134730396 325374116 /nfs/dbraw/zinc/37/41/16/325374116.db2.gz ZNJBQUBGZMIUNI-AWEZNQCLSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@H]1CCCCO1 ZINC000134730414 325374202 /nfs/dbraw/zinc/37/42/02/325374202.db2.gz ZNJBQUBGZMIUNI-CQSZACIVSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000134731727 325374108 /nfs/dbraw/zinc/37/41/08/325374108.db2.gz FQIQESIXKPIFHS-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000134731746 323025355 /nfs/dbraw/zinc/02/53/55/323025355.db2.gz FQIQESIXKPIFHS-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@H]1CCCCO1 ZINC000134731767 323025391 /nfs/dbraw/zinc/02/53/91/323025391.db2.gz FQIQESIXKPIFHS-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@H]1CCCCO1 ZINC000134731787 325374080 /nfs/dbraw/zinc/37/40/80/325374080.db2.gz FQIQESIXKPIFHS-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2C=CCCC2)[C@@H]1C ZINC000134742629 325375030 /nfs/dbraw/zinc/37/50/30/325375030.db2.gz CZJKXPSMFQTFKE-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H]1C ZINC000134742963 325375025 /nfs/dbraw/zinc/37/50/25/325375025.db2.gz CIAXMOOGLFZJRL-BZPMIXESSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@@H]1C ZINC000134743006 325375027 /nfs/dbraw/zinc/37/50/27/325375027.db2.gz CIAXMOOGLFZJRL-YRGRVCCFSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000134748456 591948997 /nfs/dbraw/zinc/94/89/97/591948997.db2.gz YIZITBOGMMLSPM-SECBINFHSA-N 1 0 245.338 3.889 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000134748478 591949054 /nfs/dbraw/zinc/94/90/54/591949054.db2.gz YIZITBOGMMLSPM-VIFPVBQESA-N 1 0 245.338 3.889 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccncc1 ZINC000134748513 325375290 /nfs/dbraw/zinc/37/52/90/325375290.db2.gz KGCKDTJDTGAGFW-XNISGKROSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1F ZINC000134752600 325375584 /nfs/dbraw/zinc/37/55/84/325375584.db2.gz CMYYSKIUCDOPDF-ZDUSSCGKSA-N 1 0 241.737 3.928 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1F ZINC000134752620 325375610 /nfs/dbraw/zinc/37/56/10/325375610.db2.gz CMYYSKIUCDOPDF-CYBMUJFWSA-N 1 0 241.737 3.928 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(CC)s1 ZINC000134758051 343195419 /nfs/dbraw/zinc/19/54/19/343195419.db2.gz BKNBPBRFKPHEFG-UHFFFAOYSA-N 1 0 243.441 3.543 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(C)cc1C ZINC000134758300 134721427 /nfs/dbraw/zinc/72/14/27/134721427.db2.gz CYJTZGCYYWOIIT-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000134758563 364413069 /nfs/dbraw/zinc/41/30/69/364413069.db2.gz OBRNNJCWLWSGJE-QWHCGFSZSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000134758579 364412312 /nfs/dbraw/zinc/41/23/12/364412312.db2.gz OBRNNJCWLWSGJE-STQMWFEESA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000134758602 135540566 /nfs/dbraw/zinc/54/05/66/135540566.db2.gz OBRNNJCWLWSGJE-CHWSQXEVSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000134758620 364413205 /nfs/dbraw/zinc/41/32/05/364413205.db2.gz OBRNNJCWLWSGJE-OLZOCXBDSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000134758934 325375542 /nfs/dbraw/zinc/37/55/42/325375542.db2.gz HREJSSDNINLXKD-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000134758955 325375553 /nfs/dbraw/zinc/37/55/53/325375553.db2.gz HREJSSDNINLXKD-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000134765980 325375978 /nfs/dbraw/zinc/37/59/78/325375978.db2.gz MEISGFZNJXOJPV-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000134766001 325376172 /nfs/dbraw/zinc/37/61/72/325376172.db2.gz MEISGFZNJXOJPV-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000134766025 325376003 /nfs/dbraw/zinc/37/60/03/325376003.db2.gz MEISGFZNJXOJPV-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000134766044 325376090 /nfs/dbraw/zinc/37/60/90/325376090.db2.gz MEISGFZNJXOJPV-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+]Cc1c(C)cccc1C ZINC000134770222 134722209 /nfs/dbraw/zinc/72/22/09/134722209.db2.gz ZVDUOUHXGRASOK-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CC(C)OCCCC[NH2+]C1CCCCCC1 ZINC000134796565 323025631 /nfs/dbraw/zinc/02/56/31/323025631.db2.gz WGZBMHAMWPXXCN-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1SC ZINC000134804030 325377362 /nfs/dbraw/zinc/37/73/62/325377362.db2.gz RIFZYTITJNHVMW-NEPJUHHUSA-N 1 0 237.412 3.728 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1SC ZINC000134804048 325377284 /nfs/dbraw/zinc/37/72/84/325377284.db2.gz RIFZYTITJNHVMW-RYUDHWBXSA-N 1 0 237.412 3.728 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1SC ZINC000134804072 325377413 /nfs/dbraw/zinc/37/74/13/325377413.db2.gz RIFZYTITJNHVMW-VXGBXAGGSA-N 1 0 237.412 3.728 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1SC ZINC000134804095 325377170 /nfs/dbraw/zinc/37/71/70/325377170.db2.gz RIFZYTITJNHVMW-NWDGAFQWSA-N 1 0 237.412 3.728 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000134813911 591952386 /nfs/dbraw/zinc/95/23/86/591952386.db2.gz YQAODITXPSEUOA-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000134813932 591951814 /nfs/dbraw/zinc/95/18/14/591951814.db2.gz YQAODITXPSEUOA-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCSC1)C1CCCC1 ZINC000134816193 591951800 /nfs/dbraw/zinc/95/18/00/591951800.db2.gz LQJRFCHULDGWJV-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCSC1)C1CCCC1 ZINC000134816214 591952407 /nfs/dbraw/zinc/95/24/07/591952407.db2.gz LQJRFCHULDGWJV-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000134825542 167206348 /nfs/dbraw/zinc/20/63/48/167206348.db2.gz KSNGYDPZXNGPTR-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C)c1ccsc1 ZINC000134825564 167206935 /nfs/dbraw/zinc/20/69/35/167206935.db2.gz KSNGYDPZXNGPTR-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C)c1cccs1 ZINC000134825673 325378477 /nfs/dbraw/zinc/37/84/77/325378477.db2.gz XLUCTKAISXUGCC-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C)c1cccs1 ZINC000134825696 325378431 /nfs/dbraw/zinc/37/84/31/325378431.db2.gz XLUCTKAISXUGCC-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CSCCCCNc1cc[nH+]c2ccccc12 ZINC000134828455 358808232 /nfs/dbraw/zinc/80/82/32/358808232.db2.gz GLPWLERZUSAGPA-UHFFFAOYSA-N 1 0 246.379 3.790 20 0 BHADRO c1ccc2c(NCCCC3CC3)cc[nH+]c2c1 ZINC000134830302 342894938 /nfs/dbraw/zinc/89/49/38/342894938.db2.gz XTZJTDLXDLZQSE-UHFFFAOYSA-N 1 0 226.323 3.837 20 0 BHADRO CSCC[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000134834970 591953218 /nfs/dbraw/zinc/95/32/18/591953218.db2.gz STLPXZNDZKAASP-NSHDSACASA-N 1 0 246.379 3.788 20 0 BHADRO CSCC[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000134834988 591952868 /nfs/dbraw/zinc/95/28/68/591952868.db2.gz STLPXZNDZKAASP-LLVKDONJSA-N 1 0 246.379 3.788 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000134840357 325378771 /nfs/dbraw/zinc/37/87/71/325378771.db2.gz OIVWLVASKKDHMP-OLZOCXBDSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000134840379 325378673 /nfs/dbraw/zinc/37/86/73/325378673.db2.gz OIVWLVASKKDHMP-STQMWFEESA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000134840400 325378857 /nfs/dbraw/zinc/37/88/57/325378857.db2.gz OIVWLVASKKDHMP-CHWSQXEVSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000134840415 325378844 /nfs/dbraw/zinc/37/88/44/325378844.db2.gz OIVWLVASKKDHMP-QWHCGFSZSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000134843592 134723657 /nfs/dbraw/zinc/72/36/57/134723657.db2.gz QROPGHXZTBQUCM-OLZOCXBDSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000134843611 358807955 /nfs/dbraw/zinc/80/79/55/358807955.db2.gz QROPGHXZTBQUCM-STQMWFEESA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000134843632 358808270 /nfs/dbraw/zinc/80/82/70/358808270.db2.gz QROPGHXZTBQUCM-CHWSQXEVSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000134843650 134723735 /nfs/dbraw/zinc/72/37/35/134723735.db2.gz QROPGHXZTBQUCM-QWHCGFSZSA-N 1 0 221.344 3.586 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000134845235 387812037 /nfs/dbraw/zinc/81/20/37/387812037.db2.gz ZTEAMDVJLFZYHX-UHFFFAOYSA-N 1 0 226.389 3.545 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000134848793 325379000 /nfs/dbraw/zinc/37/90/00/325379000.db2.gz QNJYUSWPIAWQHY-UHFFFAOYSA-N 1 0 240.416 3.935 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000134848834 343191330 /nfs/dbraw/zinc/19/13/30/343191330.db2.gz XBGCCQLAWFJFQY-SNVBAGLBSA-N 1 0 240.416 3.791 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000134849650 541360324 /nfs/dbraw/zinc/36/03/24/541360324.db2.gz CCQBEBZGOVHKRB-TZMCWYRMSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000134849672 541360173 /nfs/dbraw/zinc/36/01/73/541360173.db2.gz CCQBEBZGOVHKRB-GXTWGEPZSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000134849694 538113933 /nfs/dbraw/zinc/11/39/33/538113933.db2.gz CCQBEBZGOVHKRB-OCCSQVGLSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000134849712 538113881 /nfs/dbraw/zinc/11/38/81/538113881.db2.gz CCQBEBZGOVHKRB-JSGCOSHPSA-N 1 0 241.444 3.546 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ncc(C(C)C)s1 ZINC000134850279 325379033 /nfs/dbraw/zinc/37/90/33/325379033.db2.gz CPLPWDPTXXKGRF-UHFFFAOYSA-N 1 0 240.416 3.935 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000134851297 134723757 /nfs/dbraw/zinc/72/37/57/134723757.db2.gz UFAGFBORYDECJB-CHWSQXEVSA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000134851316 364416200 /nfs/dbraw/zinc/41/62/00/364416200.db2.gz UFAGFBORYDECJB-QWHCGFSZSA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000134851336 134723709 /nfs/dbraw/zinc/72/37/09/134723709.db2.gz UFAGFBORYDECJB-OLZOCXBDSA-N 1 0 229.433 3.546 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000134851353 364416370 /nfs/dbraw/zinc/41/63/70/364416370.db2.gz UFAGFBORYDECJB-STQMWFEESA-N 1 0 229.433 3.546 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000134851357 325379106 /nfs/dbraw/zinc/37/91/06/325379106.db2.gz RPOXAGGMKIZOAO-KMUNFCNLSA-N 1 0 249.785 3.585 20 0 BHADRO CC(C)c1cnc(C[NH2+]CCCC2CC2)s1 ZINC000134851376 541360308 /nfs/dbraw/zinc/36/03/08/541360308.db2.gz HXNBTMCJJYOTFP-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000134851397 325379103 /nfs/dbraw/zinc/37/91/03/325379103.db2.gz RPOXAGGMKIZOAO-VCTAVGKDSA-N 1 0 249.785 3.585 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC=CCC1)C2 ZINC000134854027 325379040 /nfs/dbraw/zinc/37/90/40/325379040.db2.gz AEAHOURIUIKMSQ-LSDHHAIUSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC=CCC1)C2 ZINC000134854046 325379127 /nfs/dbraw/zinc/37/91/27/325379127.db2.gz AEAHOURIUIKMSQ-GJZGRUSLSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC=CCC1)C2 ZINC000134854069 325379312 /nfs/dbraw/zinc/37/93/12/325379312.db2.gz AEAHOURIUIKMSQ-HUUCEWRRSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC=CCC1)C2 ZINC000134854088 325379073 /nfs/dbraw/zinc/37/90/73/325379073.db2.gz AEAHOURIUIKMSQ-CABCVRRESA-N 1 0 247.769 3.506 20 0 BHADRO CCC1([NH2+]Cc2ncc(C(C)C)s2)CCC1 ZINC000134856839 325379153 /nfs/dbraw/zinc/37/91/53/325379153.db2.gz WFITYRJLYROPKL-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC(C)c1cnc(C[NH2+]CCC2CCC2)s1 ZINC000134858172 591952857 /nfs/dbraw/zinc/95/28/57/591952857.db2.gz XJNHPOMHFBXXQY-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C=CCCC1 ZINC000134858850 325379527 /nfs/dbraw/zinc/37/95/27/325379527.db2.gz KEXSVWAMCHUBPA-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C=CCCC1 ZINC000134858887 323279583 /nfs/dbraw/zinc/27/95/83/323279583.db2.gz KEXSVWAMCHUBPA-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C2CC=CC2)C1 ZINC000134859213 538113932 /nfs/dbraw/zinc/11/39/32/538113932.db2.gz NOWOWEJBLDXFRV-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C2CC=CC2)C1 ZINC000134859234 538113918 /nfs/dbraw/zinc/11/39/18/538113918.db2.gz NOWOWEJBLDXFRV-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C2CC=CC2)C1 ZINC000134859254 538113899 /nfs/dbraw/zinc/11/38/99/538113899.db2.gz NOWOWEJBLDXFRV-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C2CC=CC2)C1 ZINC000134859274 538113877 /nfs/dbraw/zinc/11/38/77/538113877.db2.gz NOWOWEJBLDXFRV-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC1CC1 ZINC000134860380 342904466 /nfs/dbraw/zinc/90/44/66/342904466.db2.gz SGEAYGHYEFMMHB-INIZCTEOSA-N 1 0 229.367 3.844 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]CCCC1CC1 ZINC000134860400 491132624 /nfs/dbraw/zinc/13/26/24/491132624.db2.gz SGEAYGHYEFMMHB-MRXNPFEDSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc(F)c(F)c1 ZINC000134860421 325379717 /nfs/dbraw/zinc/37/97/17/325379717.db2.gz MJIZOMKXQZOFMI-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(F)c(F)c1 ZINC000134860440 325379603 /nfs/dbraw/zinc/37/96/03/325379603.db2.gz MJIZOMKXQZOFMI-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1c(F)cccc1F ZINC000134860598 591953581 /nfs/dbraw/zinc/95/35/81/591953581.db2.gz DCAWSUOXRZRRSK-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1c(F)cccc1F ZINC000134860613 591953309 /nfs/dbraw/zinc/95/33/09/591953309.db2.gz DCAWSUOXRZRRSK-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc(F)cc1F ZINC000134860912 325379689 /nfs/dbraw/zinc/37/96/89/325379689.db2.gz FNIAXPHJJPIQCS-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(F)cc1F ZINC000134860933 325379660 /nfs/dbraw/zinc/37/96/60/325379660.db2.gz FNIAXPHJJPIQCS-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCCC1CC1 ZINC000134861227 325379742 /nfs/dbraw/zinc/37/97/42/325379742.db2.gz XZEBLXNTHNCHGG-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCCC1CC1 ZINC000134861248 325379740 /nfs/dbraw/zinc/37/97/40/325379740.db2.gz XZEBLXNTHNCHGG-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cc(F)ccc1F ZINC000134861269 325379586 /nfs/dbraw/zinc/37/95/86/325379586.db2.gz FPQVOUNXYGQNLH-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cc(F)ccc1F ZINC000134861290 325379559 /nfs/dbraw/zinc/37/95/59/325379559.db2.gz FPQVOUNXYGQNLH-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CSCCCCCC[NH2+]Cc1ccccc1 ZINC000134865856 591953988 /nfs/dbraw/zinc/95/39/88/591953988.db2.gz YHWSTVCFVZRBMB-UHFFFAOYSA-N 1 0 237.412 3.700 20 0 BHADRO CSCCCCCC[NH2+]Cc1occc1C ZINC000134866117 398341830 /nfs/dbraw/zinc/34/18/30/398341830.db2.gz UCAILZPXJGZRTJ-UHFFFAOYSA-N 1 0 241.400 3.601 20 0 BHADRO CSCCCCCC[NH2+]Cc1cccs1 ZINC000134866227 388480053 /nfs/dbraw/zinc/48/00/53/388480053.db2.gz QJESIXWMQBBEKY-UHFFFAOYSA-N 1 0 243.441 3.761 20 0 BHADRO CSCCCCCC[NH2+]C1CCCCC1 ZINC000134866280 591953977 /nfs/dbraw/zinc/95/39/77/591953977.db2.gz XEEJCJYIYDXGIJ-UHFFFAOYSA-N 1 0 229.433 3.832 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC[C@H]1C ZINC000134866490 591954016 /nfs/dbraw/zinc/95/40/16/591954016.db2.gz NUYACRATDSXWEB-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC[C@@H]1C ZINC000134866511 591954444 /nfs/dbraw/zinc/95/44/44/591954444.db2.gz NUYACRATDSXWEB-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC[C@H]1C ZINC000134866531 591953979 /nfs/dbraw/zinc/95/39/79/591953979.db2.gz NUYACRATDSXWEB-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000134866550 591954517 /nfs/dbraw/zinc/95/45/17/591954517.db2.gz NUYACRATDSXWEB-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+]Cc1ccsc1 ZINC000134866959 175473224 /nfs/dbraw/zinc/47/32/24/175473224.db2.gz MIBMSQNAQZFLHT-UHFFFAOYSA-N 1 0 243.441 3.761 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000134867045 591954211 /nfs/dbraw/zinc/95/42/11/591954211.db2.gz ADJWICIXMGLNAY-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000134867065 591953943 /nfs/dbraw/zinc/95/39/43/591953943.db2.gz ADJWICIXMGLNAY-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000134867083 591954078 /nfs/dbraw/zinc/95/40/78/591954078.db2.gz ADJWICIXMGLNAY-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000134867102 591954482 /nfs/dbraw/zinc/95/44/82/591954482.db2.gz ADJWICIXMGLNAY-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+]Cc1ccc(C)o1 ZINC000134867161 398341902 /nfs/dbraw/zinc/34/19/02/398341902.db2.gz GXMXKOZYDAVZHT-UHFFFAOYSA-N 1 0 241.400 3.601 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CCCC2CC2)c1 ZINC000134867235 325380125 /nfs/dbraw/zinc/38/01/25/325380125.db2.gz JDJCUJPKBOQKSF-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CSCCCCCC[NH2+]C[C@H]1CC=CCC1 ZINC000134867458 591954261 /nfs/dbraw/zinc/95/42/61/591954261.db2.gz OALAXAVPLXLIKK-AWEZNQCLSA-N 1 0 241.444 3.856 20 0 BHADRO CSCCCCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000134867477 591954348 /nfs/dbraw/zinc/95/43/48/591954348.db2.gz OALAXAVPLXLIKK-CQSZACIVSA-N 1 0 241.444 3.856 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CCCC1CC1 ZINC000134867653 325380084 /nfs/dbraw/zinc/38/00/84/325380084.db2.gz QPISFOCXUHWDOB-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO c1c2ccccc2oc1C[NH2+]CCCC1CC1 ZINC000134867682 343191971 /nfs/dbraw/zinc/19/19/71/343191971.db2.gz GGRJTKMVVHCVRW-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCCOc1cccc(C[NH2+]CCCC2CC2)c1 ZINC000134867741 325380140 /nfs/dbraw/zinc/38/01/40/325380140.db2.gz PBAUFFYAQIOMAT-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000134867810 325379846 /nfs/dbraw/zinc/37/98/46/325379846.db2.gz YOHKBYGUMHYWNB-JQWIXIFHSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 ZINC000134867834 325379875 /nfs/dbraw/zinc/37/98/75/325379875.db2.gz YOHKBYGUMHYWNB-PWSUYJOCSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000134867854 323284319 /nfs/dbraw/zinc/28/43/19/323284319.db2.gz YOHKBYGUMHYWNB-CMPLNLGQSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 ZINC000134867873 325380075 /nfs/dbraw/zinc/38/00/75/325380075.db2.gz YOHKBYGUMHYWNB-ZYHUDNBSSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC2CC2)o1 ZINC000134867969 325380128 /nfs/dbraw/zinc/38/01/28/325380128.db2.gz XUXDYVKFQNIXRY-RISCZKNCSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCC2CC2)o1 ZINC000134867988 325380138 /nfs/dbraw/zinc/38/01/38/325380138.db2.gz XUXDYVKFQNIXRY-FZMZJTMJSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC2CC2)o1 ZINC000134868009 325380133 /nfs/dbraw/zinc/38/01/33/325380133.db2.gz XUXDYVKFQNIXRY-BXUZGUMPSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC2CC2)o1 ZINC000134868025 325379808 /nfs/dbraw/zinc/37/98/08/325379808.db2.gz XUXDYVKFQNIXRY-SMDDNHRTSA-N 1 0 233.355 3.683 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000134868401 342909743 /nfs/dbraw/zinc/90/97/43/342909743.db2.gz JLGAJLCYQTXNNR-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO c1ccc2c(C[NH2+]CCCC3CC3)ccnc2c1 ZINC000134868499 325379923 /nfs/dbraw/zinc/37/99/23/325379923.db2.gz LTDUGEBYYMNXGJ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCCOc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000134868605 342909606 /nfs/dbraw/zinc/90/96/06/342909606.db2.gz MDKWUMXMRQAEMG-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCCC2CC2)cc1C ZINC000134868747 342909759 /nfs/dbraw/zinc/90/97/59/342909759.db2.gz UXYTXVMWKSZKOG-UHFFFAOYSA-N 1 0 231.383 3.892 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCCC2CC2)c(C)c1 ZINC000134868856 342909727 /nfs/dbraw/zinc/90/97/27/342909727.db2.gz IYEHOXHLRCFBOX-UHFFFAOYSA-N 1 0 231.383 3.892 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C=CCCC2)[C@H](C)C1 ZINC000134885543 325380964 /nfs/dbraw/zinc/38/09/64/325380964.db2.gz XDMBCOFOBAYJKA-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000134885809 325380824 /nfs/dbraw/zinc/38/08/24/325380824.db2.gz JAXYCURIQGQVAC-BZPMIXESSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000134885842 325380862 /nfs/dbraw/zinc/38/08/62/325380862.db2.gz JAXYCURIQGQVAC-YRGRVCCFSA-N 1 0 221.388 3.591 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)c1ccco1 ZINC000134888805 591956496 /nfs/dbraw/zinc/95/64/96/591956496.db2.gz ZPEMBDCXUGCYEF-LBPRGKRZSA-N 1 0 241.400 3.854 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)c1ccco1 ZINC000134888830 591957141 /nfs/dbraw/zinc/95/71/41/591957141.db2.gz ZPEMBDCXUGCYEF-GFCCVEGCSA-N 1 0 241.400 3.854 20 0 BHADRO CSCCCCCC[NH2+]C(C1CC1)C1CC1 ZINC000134888901 591956993 /nfs/dbraw/zinc/95/69/93/591956993.db2.gz VZPZDKJXKRYLBT-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)c1ccoc1 ZINC000134889186 591957080 /nfs/dbraw/zinc/95/70/80/591957080.db2.gz IZQQXAKKFZWZFI-LBPRGKRZSA-N 1 0 241.400 3.854 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)c1ccoc1 ZINC000134889208 591956786 /nfs/dbraw/zinc/95/67/86/591956786.db2.gz IZQQXAKKFZWZFI-GFCCVEGCSA-N 1 0 241.400 3.854 20 0 BHADRO CC[C@H]([NH2+]CCCCCCSC)C1CC1 ZINC000134889632 591957729 /nfs/dbraw/zinc/95/77/29/591957729.db2.gz HUVRFBKFBSFQGA-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H]([NH2+]CCCCCCSC)C1CC1 ZINC000134889652 591957887 /nfs/dbraw/zinc/95/78/87/591957887.db2.gz HUVRFBKFBSFQGA-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)CC1CC1 ZINC000134889919 591958258 /nfs/dbraw/zinc/95/82/58/591958258.db2.gz UTIZNKVLRIAPQW-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)CC1CC1 ZINC000134889938 591957520 /nfs/dbraw/zinc/95/75/20/591957520.db2.gz UTIZNKVLRIAPQW-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000134890058 591958167 /nfs/dbraw/zinc/95/81/67/591958167.db2.gz ZTEURVHTKJDQHC-AWEZNQCLSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@H](C(C)C)C1CC1 ZINC000134890083 591957688 /nfs/dbraw/zinc/95/76/88/591957688.db2.gz ZTEURVHTKJDQHC-CQSZACIVSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)C(C)(C)C ZINC000134890259 591958246 /nfs/dbraw/zinc/95/82/46/591958246.db2.gz BUGTVMMVUWUMPQ-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)C(C)(C)C ZINC000134890281 591957582 /nfs/dbraw/zinc/95/75/82/591957582.db2.gz BUGTVMMVUWUMPQ-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000134898698 342920839 /nfs/dbraw/zinc/92/08/39/342920839.db2.gz MRCLVVZTUJUQRQ-ABAIWWIYSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000134898718 342920865 /nfs/dbraw/zinc/92/08/65/342920865.db2.gz MRCLVVZTUJUQRQ-IAQYHMDHSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccc(F)cc1 ZINC000134898742 342920884 /nfs/dbraw/zinc/92/08/84/342920884.db2.gz MRCLVVZTUJUQRQ-NHYWBVRUSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccc(F)cc1 ZINC000134898757 342920891 /nfs/dbraw/zinc/92/08/91/342920891.db2.gz MRCLVVZTUJUQRQ-XHDPSFHLSA-N 1 0 235.346 3.913 20 0 BHADRO CCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134900310 356451685 /nfs/dbraw/zinc/45/16/85/356451685.db2.gz PWVPLTDNBJOLJO-CYBMUJFWSA-N 1 0 223.747 3.717 20 0 BHADRO CCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000134900330 364417345 /nfs/dbraw/zinc/41/73/45/364417345.db2.gz PWVPLTDNBJOLJO-ZDUSSCGKSA-N 1 0 223.747 3.717 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)C)c1cccnc1 ZINC000134904428 384397031 /nfs/dbraw/zinc/39/70/31/384397031.db2.gz IUVOWXBJNTUBNP-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)C)c1cccnc1 ZINC000134904445 169399320 /nfs/dbraw/zinc/39/93/20/169399320.db2.gz IUVOWXBJNTUBNP-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO CCCCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000134907530 384398582 /nfs/dbraw/zinc/39/85/82/384398582.db2.gz NPKHUENETZXZMZ-AWEZNQCLSA-N 1 0 220.360 3.703 20 0 BHADRO CCCCC[NH2+][C@H](CCC)c1cccnc1 ZINC000134907552 168720817 /nfs/dbraw/zinc/72/08/17/168720817.db2.gz NPKHUENETZXZMZ-CQSZACIVSA-N 1 0 220.360 3.703 20 0 BHADRO Clc1cccc2c1CCC[C@@H]2[NH2+]CC1CC1 ZINC000134912104 358811238 /nfs/dbraw/zinc/81/12/38/358811238.db2.gz XUVTYCIIPQXQAK-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1cccc2c1CCC[C@H]2[NH2+]CC1CC1 ZINC000134912126 358810868 /nfs/dbraw/zinc/81/08/68/358810868.db2.gz XUVTYCIIPQXQAK-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO FCCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000134935870 325383284 /nfs/dbraw/zinc/38/32/84/325383284.db2.gz WZJAMZOFQNEWCZ-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO FCCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134935891 323026031 /nfs/dbraw/zinc/02/60/31/323026031.db2.gz WZJAMZOFQNEWCZ-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)C(C)C ZINC000134945770 325383729 /nfs/dbraw/zinc/38/37/29/325383729.db2.gz FBQLODYOYLWQTP-PWSUYJOCSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)C(C)C ZINC000134945792 325383626 /nfs/dbraw/zinc/38/36/26/325383626.db2.gz FBQLODYOYLWQTP-ZYHUDNBSSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)C(C)C ZINC000134945810 325383645 /nfs/dbraw/zinc/38/36/45/325383645.db2.gz FBQLODYOYLWQTP-JQWIXIFHSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)C(C)C ZINC000134945826 325383743 /nfs/dbraw/zinc/38/37/43/325383743.db2.gz FBQLODYOYLWQTP-CMPLNLGQSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)C(C)(C)C)n1 ZINC000134946346 325384162 /nfs/dbraw/zinc/38/41/62/325384162.db2.gz DUGLEHDAQIYGBA-ONGXEEELSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1csc([C@H](C)C[NH2+][C@@H](C)C(C)(C)C)n1 ZINC000134946365 325383963 /nfs/dbraw/zinc/38/39/63/325383963.db2.gz DUGLEHDAQIYGBA-KOLCDFICSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1csc([C@@H](C)C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000134946385 325384015 /nfs/dbraw/zinc/38/40/15/325384015.db2.gz DUGLEHDAQIYGBA-GXSJLCMTSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1csc([C@H](C)C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000134946407 325384142 /nfs/dbraw/zinc/38/41/42/325384142.db2.gz DUGLEHDAQIYGBA-MWLCHTKSSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1nc(C)cs1 ZINC000134947892 325384064 /nfs/dbraw/zinc/38/40/64/325384064.db2.gz SADWKASIQXOQCQ-HOSYDEDBSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1nc(C)cs1 ZINC000134947935 325384043 /nfs/dbraw/zinc/38/40/43/325384043.db2.gz SADWKASIQXOQCQ-UMNHJUIQSA-N 1 0 240.416 3.579 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](C)c1nccs1 ZINC000134950037 325384109 /nfs/dbraw/zinc/38/41/09/325384109.db2.gz SDGNXEWILCZTSJ-LLVKDONJSA-N 1 0 240.416 3.805 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](C)c1nccs1 ZINC000134950055 325384143 /nfs/dbraw/zinc/38/41/43/325384143.db2.gz SDGNXEWILCZTSJ-NSHDSACASA-N 1 0 240.416 3.805 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCC1)c1nccs1 ZINC000134950408 358811760 /nfs/dbraw/zinc/81/17/60/358811760.db2.gz YZGBQEFXZNOURZ-NSHDSACASA-N 1 0 238.400 3.559 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCC1)c1nccs1 ZINC000134950427 358811779 /nfs/dbraw/zinc/81/17/79/358811779.db2.gz YZGBQEFXZNOURZ-LLVKDONJSA-N 1 0 238.400 3.559 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)c1nccs1 ZINC000134952854 323026117 /nfs/dbraw/zinc/02/61/17/323026117.db2.gz UGMSZCHMKZDQJY-VXGBXAGGSA-N 1 0 240.416 3.805 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)c1nccs1 ZINC000134952877 325384049 /nfs/dbraw/zinc/38/40/49/325384049.db2.gz UGMSZCHMKZDQJY-NEPJUHHUSA-N 1 0 240.416 3.805 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)c1nccs1 ZINC000134952895 325384157 /nfs/dbraw/zinc/38/41/57/325384157.db2.gz UGMSZCHMKZDQJY-NWDGAFQWSA-N 1 0 240.416 3.805 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)c1nccs1 ZINC000134952915 325384081 /nfs/dbraw/zinc/38/40/81/325384081.db2.gz UGMSZCHMKZDQJY-RYUDHWBXSA-N 1 0 240.416 3.805 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ncc(C)s1)C(C)C ZINC000134956495 325384126 /nfs/dbraw/zinc/38/41/26/325384126.db2.gz KZXHLCDJZLZENA-PWSUYJOCSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)C(C)C ZINC000134956515 325384140 /nfs/dbraw/zinc/38/41/40/325384140.db2.gz KZXHLCDJZLZENA-ZYHUDNBSSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)C(C)C ZINC000134956534 325384310 /nfs/dbraw/zinc/38/43/10/325384310.db2.gz KZXHLCDJZLZENA-JQWIXIFHSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)C(C)C ZINC000134956555 323297152 /nfs/dbraw/zinc/29/71/52/323297152.db2.gz KZXHLCDJZLZENA-CMPLNLGQSA-N 1 0 240.416 3.579 20 0 BHADRO CC(C)C[N@H+](Cc1cccnc1)CC(C)(C)C ZINC000134956659 358812938 /nfs/dbraw/zinc/81/29/38/358812938.db2.gz KORGPFQIERUFHP-UHFFFAOYSA-N 1 0 234.387 3.586 20 0 BHADRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)C(C)(C)C)s1 ZINC000134957063 325384508 /nfs/dbraw/zinc/38/45/08/325384508.db2.gz SGTBFERATRFFRG-ONGXEEELSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)C(C)(C)C)s1 ZINC000134957086 325384455 /nfs/dbraw/zinc/38/44/55/325384455.db2.gz SGTBFERATRFFRG-KOLCDFICSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000134957103 325384410 /nfs/dbraw/zinc/38/44/10/325384410.db2.gz SGTBFERATRFFRG-GXSJLCMTSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1cnc([C@H](C)C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000134957124 325384463 /nfs/dbraw/zinc/38/44/63/325384463.db2.gz SGTBFERATRFFRG-MWLCHTKSSA-N 1 0 240.416 3.579 20 0 BHADRO CC(C)C[N@H+](Cc1ccncc1)CC(C)(C)C ZINC000134957385 358812459 /nfs/dbraw/zinc/81/24/59/358812459.db2.gz OZRNVKOLJALCGO-UHFFFAOYSA-N 1 0 234.387 3.586 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000134958683 325384531 /nfs/dbraw/zinc/38/45/31/325384531.db2.gz RYFHUKZFPRKOAB-HOSYDEDBSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000134958718 325384505 /nfs/dbraw/zinc/38/45/05/325384505.db2.gz RYFHUKZFPRKOAB-UMNHJUIQSA-N 1 0 240.416 3.579 20 0 BHADRO CCCCC[N@H+](Cc1nccs1)C(C)C ZINC000134980109 384404716 /nfs/dbraw/zinc/40/47/16/384404716.db2.gz BZBOLPGWICNINK-UHFFFAOYSA-N 1 0 226.389 3.544 20 0 BHADRO C[N@H+](Cc1nccs1)C1CCCCCCC1 ZINC000135014882 591973149 /nfs/dbraw/zinc/97/31/49/591973149.db2.gz VWKXAYBXDPRQOS-UHFFFAOYSA-N 1 0 238.400 3.688 20 0 BHADRO CC[C@H]([NH2+]C1CC1)c1cccc(Cl)c1F ZINC000135041992 325390413 /nfs/dbraw/zinc/39/04/13/325390413.db2.gz XVJWDXOODYWWCK-NSHDSACASA-N 1 0 227.710 3.682 20 0 BHADRO CC[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1F ZINC000135042011 325390419 /nfs/dbraw/zinc/39/04/19/325390419.db2.gz XVJWDXOODYWWCK-LLVKDONJSA-N 1 0 227.710 3.682 20 0 BHADRO CC[C@H]([NH2+]CC1CC1)c1cccc(Cl)c1F ZINC000135042513 358818175 /nfs/dbraw/zinc/81/81/75/358818175.db2.gz DJSLCDQDNHJFBL-LBPRGKRZSA-N 1 0 241.737 3.930 20 0 BHADRO CC[C@@H]([NH2+]CC1CC1)c1cccc(Cl)c1F ZINC000135042534 535803195 /nfs/dbraw/zinc/80/31/95/535803195.db2.gz DJSLCDQDNHJFBL-GFCCVEGCSA-N 1 0 241.737 3.930 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1cccc(Cl)c1F ZINC000135042854 325390447 /nfs/dbraw/zinc/39/04/47/325390447.db2.gz ZKIGPRAMPKVLJK-NSHDSACASA-N 1 0 247.716 3.879 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1cccc(Cl)c1F ZINC000135042872 325390441 /nfs/dbraw/zinc/39/04/41/325390441.db2.gz ZKIGPRAMPKVLJK-LLVKDONJSA-N 1 0 247.716 3.879 20 0 BHADRO Fc1cc(C[NH2+]C2CCCC2)c(F)cc1Cl ZINC000135046566 325390507 /nfs/dbraw/zinc/39/05/07/325390507.db2.gz FJSWIFPSOKPKKB-UHFFFAOYSA-N 1 0 245.700 3.650 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000135046650 325390523 /nfs/dbraw/zinc/39/05/23/325390523.db2.gz BJUXXUMBWIMZJM-SSDOTTSWSA-N 1 0 233.689 3.506 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000135046671 323026636 /nfs/dbraw/zinc/02/66/36/323026636.db2.gz BJUXXUMBWIMZJM-ZETCQYMHSA-N 1 0 233.689 3.506 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(C)C ZINC000135091042 323178086 /nfs/dbraw/zinc/17/80/86/323178086.db2.gz JHXLNEINPZXCDE-NSHDSACASA-N 1 0 239.334 3.531 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(C)C ZINC000135091058 325392718 /nfs/dbraw/zinc/39/27/18/325392718.db2.gz JHXLNEINPZXCDE-LLVKDONJSA-N 1 0 239.334 3.531 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000135091121 325392925 /nfs/dbraw/zinc/39/29/25/325392925.db2.gz ZSPYGEIVQGPQPS-NSHDSACASA-N 1 0 239.334 3.675 20 0 BHADRO CCCCC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000135091139 325392733 /nfs/dbraw/zinc/39/27/33/325392733.db2.gz ZSPYGEIVQGPQPS-LLVKDONJSA-N 1 0 239.334 3.675 20 0 BHADRO CCCCOCCC[NH2+]C1CCC(C)(C)CC1 ZINC000135122195 325396182 /nfs/dbraw/zinc/39/61/82/325396182.db2.gz NHRXTAHRMVFGMK-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000135122291 325395993 /nfs/dbraw/zinc/39/59/93/325395993.db2.gz AOJCZYZQULSSIG-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000135122310 325395972 /nfs/dbraw/zinc/39/59/72/325395972.db2.gz AOJCZYZQULSSIG-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000135122323 325395990 /nfs/dbraw/zinc/39/59/90/325395990.db2.gz AOJCZYZQULSSIG-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000135122341 325396220 /nfs/dbraw/zinc/39/62/20/325396220.db2.gz AOJCZYZQULSSIG-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000135122589 325396119 /nfs/dbraw/zinc/39/61/19/325396119.db2.gz JZRRNXCJCCZUNC-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000135122607 325396077 /nfs/dbraw/zinc/39/60/77/325396077.db2.gz JZRRNXCJCCZUNC-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000135122928 384415649 /nfs/dbraw/zinc/41/56/49/384415649.db2.gz RRTCTGWVLXOZME-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000135122950 384416764 /nfs/dbraw/zinc/41/67/64/384416764.db2.gz RRTCTGWVLXOZME-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000135123598 387815828 /nfs/dbraw/zinc/81/58/28/387815828.db2.gz KQXCNCYYZJWSBI-OAHLLOKOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000135123614 387814809 /nfs/dbraw/zinc/81/48/09/387814809.db2.gz KQXCNCYYZJWSBI-HNNXBMFYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000135123754 325396105 /nfs/dbraw/zinc/39/61/05/325396105.db2.gz ORTKXUZQMKLFHF-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CCC(CC)[N@@H+](Cc1nccs1)CC(C)C ZINC000135123782 358821433 /nfs/dbraw/zinc/82/14/33/358821433.db2.gz YMVQHRFUHXPPKP-UHFFFAOYSA-N 1 0 240.416 3.790 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccccc1C ZINC000135125248 179321095 /nfs/dbraw/zinc/32/10/95/179321095.db2.gz DSOACWNTXMXFPA-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccccc1C ZINC000135125270 179339262 /nfs/dbraw/zinc/33/92/62/179339262.db2.gz DSOACWNTXMXFPA-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1nc(CN[C@@H](C)c2ccccc2)c(C)s1 ZINC000135127403 358821393 /nfs/dbraw/zinc/82/13/93/358821393.db2.gz ZVKSOHWCIWFBTC-JTQLQIEISA-N 1 0 246.379 3.611 20 0 BHADRO Cc1nc(CN[C@H](C)c2ccccc2)c(C)s1 ZINC000135127423 358821336 /nfs/dbraw/zinc/82/13/36/358821336.db2.gz ZVKSOHWCIWFBTC-SNVBAGLBSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000135129656 384414677 /nfs/dbraw/zinc/41/46/77/384414677.db2.gz SFDGVUJYBUXUSQ-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000135129673 384415780 /nfs/dbraw/zinc/41/57/80/384415780.db2.gz SFDGVUJYBUXUSQ-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC000135137194 541362102 /nfs/dbraw/zinc/36/21/02/541362102.db2.gz JLZURADSBDRGKB-ZBFHGGJFSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC000135137211 541362134 /nfs/dbraw/zinc/36/21/34/541362134.db2.gz JLZURADSBDRGKB-HOCLYGCPSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC000135137232 541362118 /nfs/dbraw/zinc/36/21/18/541362118.db2.gz JLZURADSBDRGKB-GDBMZVCRSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC000135137249 541361596 /nfs/dbraw/zinc/36/15/96/541361596.db2.gz JLZURADSBDRGKB-GOEBONIOSA-N 1 0 231.383 3.788 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000135137391 386485107 /nfs/dbraw/zinc/48/51/07/386485107.db2.gz YXKSYQNTWIDQTP-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000135137405 386485344 /nfs/dbraw/zinc/48/53/44/386485344.db2.gz YXKSYQNTWIDQTP-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC000135138573 364428613 /nfs/dbraw/zinc/42/86/13/364428613.db2.gz AYRCBLHLPRAVPM-KBMXLJTQSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC000135138608 364428083 /nfs/dbraw/zinc/42/80/83/364428083.db2.gz AYRCBLHLPRAVPM-VNQPRFMTSA-N 1 0 243.394 3.885 20 0 BHADRO C[N@H+](Cc1nccs1)C1CCC(C)(C)CC1 ZINC000135141529 358822203 /nfs/dbraw/zinc/82/22/03/358822203.db2.gz SQYURQHCBSSHRP-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000135145349 325397109 /nfs/dbraw/zinc/39/71/09/325397109.db2.gz XUMPBKOAWAIIGT-HIFRSBDPSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000135145371 325397067 /nfs/dbraw/zinc/39/70/67/325397067.db2.gz XUMPBKOAWAIIGT-ZFWWWQNUSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000135145392 325396978 /nfs/dbraw/zinc/39/69/78/325396978.db2.gz XUMPBKOAWAIIGT-UKRRQHHQSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000135145408 325396973 /nfs/dbraw/zinc/39/69/73/325396973.db2.gz XUMPBKOAWAIIGT-DZGCQCFKSA-N 1 0 247.382 3.752 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000135146484 323359887 /nfs/dbraw/zinc/35/98/87/323359887.db2.gz VQZFZOAWQZOARI-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000135150114 343945069 /nfs/dbraw/zinc/94/50/69/343945069.db2.gz PVBBPOJMKFWFIN-YPMHNXCESA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000135150134 343945259 /nfs/dbraw/zinc/94/52/59/343945259.db2.gz PVBBPOJMKFWFIN-AAEUAGOBSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000135150148 343945104 /nfs/dbraw/zinc/94/51/04/343945104.db2.gz PVBBPOJMKFWFIN-DGCLKSJQSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000135150166 343944996 /nfs/dbraw/zinc/94/49/96/343944996.db2.gz PVBBPOJMKFWFIN-WCQYABFASA-N 1 0 229.323 3.711 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000135151086 325397547 /nfs/dbraw/zinc/39/75/47/325397547.db2.gz OIDDZQTXFUKXTK-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000135151107 325397411 /nfs/dbraw/zinc/39/74/11/325397411.db2.gz OIDDZQTXFUKXTK-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000135151124 325397465 /nfs/dbraw/zinc/39/74/65/325397465.db2.gz OIDDZQTXFUKXTK-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000135151141 325397390 /nfs/dbraw/zinc/39/73/90/325397390.db2.gz OIDDZQTXFUKXTK-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000135151696 325397512 /nfs/dbraw/zinc/39/75/12/325397512.db2.gz AGVSXZXDRDSTKQ-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000135151715 325397505 /nfs/dbraw/zinc/39/75/05/325397505.db2.gz AGVSXZXDRDSTKQ-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000135151736 325397530 /nfs/dbraw/zinc/39/75/30/325397530.db2.gz AGVSXZXDRDSTKQ-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000135151755 325397498 /nfs/dbraw/zinc/39/74/98/325397498.db2.gz AGVSXZXDRDSTKQ-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000135151953 325397481 /nfs/dbraw/zinc/39/74/81/325397481.db2.gz FBYYPHUGZOHBBJ-HIFRSBDPSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000135151972 325397492 /nfs/dbraw/zinc/39/74/92/325397492.db2.gz FBYYPHUGZOHBBJ-ZFWWWQNUSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000135151992 325397397 /nfs/dbraw/zinc/39/73/97/325397397.db2.gz FBYYPHUGZOHBBJ-UKRRQHHQSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000135152009 325397515 /nfs/dbraw/zinc/39/75/15/325397515.db2.gz FBYYPHUGZOHBBJ-DZGCQCFKSA-N 1 0 247.382 3.752 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)Cc1ccccc1C ZINC000135153224 325397780 /nfs/dbraw/zinc/39/77/80/325397780.db2.gz GCFGMZQJZGWRGY-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)Cc1ccccc1C ZINC000135153244 325397774 /nfs/dbraw/zinc/39/77/74/325397774.db2.gz GCFGMZQJZGWRGY-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000135153310 358822194 /nfs/dbraw/zinc/82/21/94/358822194.db2.gz AKZGPMUCXGTXMT-OWTLIXCDSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000135153505 178895356 /nfs/dbraw/zinc/89/53/56/178895356.db2.gz QUCZRURISYRWNL-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CC(C)C[N@H+](Cc1nccs1)CC(C)(C)C ZINC000135154144 358822096 /nfs/dbraw/zinc/82/20/96/358822096.db2.gz MZJXBWIBHMMMQG-UHFFFAOYSA-N 1 0 240.416 3.647 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000135159720 325398008 /nfs/dbraw/zinc/39/80/08/325398008.db2.gz FPAKYRHQPXWDHO-HIFRSBDPSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000135159740 325398269 /nfs/dbraw/zinc/39/82/69/325398269.db2.gz FPAKYRHQPXWDHO-ZFWWWQNUSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000135159760 325398204 /nfs/dbraw/zinc/39/82/04/325398204.db2.gz FPAKYRHQPXWDHO-UKRRQHHQSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000135159783 325397937 /nfs/dbraw/zinc/39/79/37/325397937.db2.gz FPAKYRHQPXWDHO-DZGCQCFKSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162666 534925091 /nfs/dbraw/zinc/92/50/91/534925091.db2.gz HQEARYPNEFBPDP-LBPRGKRZSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162687 358823529 /nfs/dbraw/zinc/82/35/29/358823529.db2.gz HQEARYPNEFBPDP-GFCCVEGCSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162773 358823550 /nfs/dbraw/zinc/82/35/50/358823550.db2.gz MQLMEKZMXJTQGW-NEPJUHHUSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162797 358823036 /nfs/dbraw/zinc/82/30/36/358823036.db2.gz MQLMEKZMXJTQGW-RYUDHWBXSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162816 358823513 /nfs/dbraw/zinc/82/35/13/358823513.db2.gz MQLMEKZMXJTQGW-VXGBXAGGSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135162837 358823278 /nfs/dbraw/zinc/82/32/78/358823278.db2.gz MQLMEKZMXJTQGW-NWDGAFQWSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H]([NH2+]Cc1occc1C)c1ccccc1 ZINC000135167238 384417887 /nfs/dbraw/zinc/41/78/87/384417887.db2.gz ZZLPWOFLALJIPE-AWEZNQCLSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1occc1C)c1ccccc1 ZINC000135167261 187298182 /nfs/dbraw/zinc/29/81/82/187298182.db2.gz ZZLPWOFLALJIPE-CQSZACIVSA-N 1 0 229.323 3.829 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000135167674 325398556 /nfs/dbraw/zinc/39/85/56/325398556.db2.gz QDSNCVVACOQWNN-XHDPSFHLSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C)C2)c(C)c1 ZINC000135167692 325398592 /nfs/dbraw/zinc/39/85/92/325398592.db2.gz QDSNCVVACOQWNN-NHYWBVRUSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000135167706 325398567 /nfs/dbraw/zinc/39/85/67/325398567.db2.gz QDSNCVVACOQWNN-IAQYHMDHSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C)C2)c(C)c1 ZINC000135167725 325398425 /nfs/dbraw/zinc/39/84/25/325398425.db2.gz QDSNCVVACOQWNN-ABAIWWIYSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000135169355 325398363 /nfs/dbraw/zinc/39/83/63/325398363.db2.gz PNIVCGXQLYWTRX-CYBMUJFWSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000135169372 325398472 /nfs/dbraw/zinc/39/84/72/325398472.db2.gz PNIVCGXQLYWTRX-ZDUSSCGKSA-N 1 0 243.350 3.871 20 0 BHADRO CC(C)C1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000135170767 343959971 /nfs/dbraw/zinc/95/99/71/343959971.db2.gz OJQHCASCTWJTIO-UHFFFAOYSA-N 1 0 247.382 3.697 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000135172784 325398374 /nfs/dbraw/zinc/39/83/74/325398374.db2.gz UXXCXEYCVLJJJO-ZIAGYGMSSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000135172804 325398585 /nfs/dbraw/zinc/39/85/85/325398585.db2.gz UXXCXEYCVLJJJO-KGLIPLIRSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000135172823 325398490 /nfs/dbraw/zinc/39/84/90/325398490.db2.gz UXXCXEYCVLJJJO-UONOGXRCSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000135172840 325398851 /nfs/dbraw/zinc/39/88/51/325398851.db2.gz UXXCXEYCVLJJJO-KBPBESRZSA-N 1 0 235.371 3.892 20 0 BHADRO CCC1CCC(C[NH2+]Cc2occc2C)CC1 ZINC000135174385 325398997 /nfs/dbraw/zinc/39/89/97/325398997.db2.gz IEWUOXMZAQNJQG-UHFFFAOYSA-N 1 0 235.371 3.894 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000135177929 325399006 /nfs/dbraw/zinc/39/90/06/325399006.db2.gz GDYSYLNVHUQKJS-SMOPSLFNSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000135177947 325399047 /nfs/dbraw/zinc/39/90/47/325399047.db2.gz GDYSYLNVHUQKJS-IYOFFGIQSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000135177966 325398784 /nfs/dbraw/zinc/39/87/84/325398784.db2.gz GDYSYLNVHUQKJS-GOTCIRLWSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000135177990 325399045 /nfs/dbraw/zinc/39/90/45/325399045.db2.gz GDYSYLNVHUQKJS-LKGAJIBZSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)[N@H+](Cc1nccs1)C1CCCCC1 ZINC000135178555 325398811 /nfs/dbraw/zinc/39/88/11/325398811.db2.gz YVIVAMYCQXELRR-UHFFFAOYSA-N 1 0 238.400 3.686 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc2ccccc2n1 ZINC000135179639 323027368 /nfs/dbraw/zinc/02/73/68/323027368.db2.gz DCCPJAMLOQWEFG-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000135180681 325399358 /nfs/dbraw/zinc/39/93/58/325399358.db2.gz DKROCEHJMHSIMM-GUTOVOEQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000135180695 325399354 /nfs/dbraw/zinc/39/93/54/325399354.db2.gz DKROCEHJMHSIMM-ZTBPCECTSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000135180715 325399431 /nfs/dbraw/zinc/39/94/31/325399431.db2.gz DKROCEHJMHSIMM-LFVOTIEESA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000135180732 325399262 /nfs/dbraw/zinc/39/92/62/325399262.db2.gz DKROCEHJMHSIMM-MPMKUSMGSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000135180839 325399501 /nfs/dbraw/zinc/39/95/01/325399501.db2.gz QWYZORBHGCNSRP-ZIHBUVQPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000135180859 325399507 /nfs/dbraw/zinc/39/95/07/325399507.db2.gz QWYZORBHGCNSRP-AHPWVWPOSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000135180879 325399226 /nfs/dbraw/zinc/39/92/26/325399226.db2.gz QWYZORBHGCNSRP-NELGMTEASA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000135180898 325399165 /nfs/dbraw/zinc/39/91/65/325399165.db2.gz QWYZORBHGCNSRP-RJZJGCCBSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000135181002 325399474 /nfs/dbraw/zinc/39/94/74/325399474.db2.gz XUPDWCZXNGHDLM-GUTOVOEQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000135181025 325399279 /nfs/dbraw/zinc/39/92/79/325399279.db2.gz XUPDWCZXNGHDLM-ZTBPCECTSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000135181044 325399422 /nfs/dbraw/zinc/39/94/22/325399422.db2.gz XUPDWCZXNGHDLM-LFVOTIEESA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000135181060 325399437 /nfs/dbraw/zinc/39/94/37/325399437.db2.gz XUPDWCZXNGHDLM-MPMKUSMGSA-N 1 0 247.357 3.850 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(COC)cc1 ZINC000135182179 325399169 /nfs/dbraw/zinc/39/91/69/325399169.db2.gz QQZRLZZLUDWLEH-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(COC)c1 ZINC000135182207 325399343 /nfs/dbraw/zinc/39/93/43/325399343.db2.gz RTYBQWBVQWVZPW-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)c1cccs1 ZINC000135186199 325399675 /nfs/dbraw/zinc/39/96/75/325399675.db2.gz JPQPCJMRYNKQDS-UHFFFAOYSA-N 1 0 249.379 3.717 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000135186272 358824320 /nfs/dbraw/zinc/82/43/20/358824320.db2.gz NEKCVOPYPKQPEG-YPMHNXCESA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000135186289 358824105 /nfs/dbraw/zinc/82/41/05/358824105.db2.gz NEKCVOPYPKQPEG-AAEUAGOBSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000135186312 358824048 /nfs/dbraw/zinc/82/40/48/358824048.db2.gz NEKCVOPYPKQPEG-DGCLKSJQSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000135186331 358824203 /nfs/dbraw/zinc/82/42/03/358824203.db2.gz NEKCVOPYPKQPEG-WCQYABFASA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000135187307 325399635 /nfs/dbraw/zinc/39/96/35/325399635.db2.gz OYEGXNSPFXLQGU-JSGCOSHPSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000135187327 325399762 /nfs/dbraw/zinc/39/97/62/325399762.db2.gz OYEGXNSPFXLQGU-GXTWGEPZSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000135187347 325399715 /nfs/dbraw/zinc/39/97/15/325399715.db2.gz OYEGXNSPFXLQGU-OCCSQVGLSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000135187365 325399812 /nfs/dbraw/zinc/39/98/12/325399812.db2.gz OYEGXNSPFXLQGU-TZMCWYRMSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]Cc2occc2C)s1 ZINC000135190074 358824011 /nfs/dbraw/zinc/82/40/11/358824011.db2.gz ZUEVBLKPLUGSST-NSHDSACASA-N 1 0 249.379 3.679 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]Cc2occc2C)s1 ZINC000135190094 358824322 /nfs/dbraw/zinc/82/43/22/358824322.db2.gz ZUEVBLKPLUGSST-LLVKDONJSA-N 1 0 249.379 3.679 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nccs1 ZINC000135202852 358826542 /nfs/dbraw/zinc/82/65/42/358826542.db2.gz ZVHROPTVIVXFKE-VXGBXAGGSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nccs1 ZINC000135202873 358826509 /nfs/dbraw/zinc/82/65/09/358826509.db2.gz ZVHROPTVIVXFKE-NEPJUHHUSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nccs1 ZINC000135202895 358826503 /nfs/dbraw/zinc/82/65/03/358826503.db2.gz ZVHROPTVIVXFKE-NWDGAFQWSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nccs1 ZINC000135202920 358826506 /nfs/dbraw/zinc/82/65/06/358826506.db2.gz ZVHROPTVIVXFKE-RYUDHWBXSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000135211276 358826515 /nfs/dbraw/zinc/82/65/15/358826515.db2.gz VFHCTAGVKYNLLP-LBPRGKRZSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000135211296 358826496 /nfs/dbraw/zinc/82/64/96/358826496.db2.gz VFHCTAGVKYNLLP-GFCCVEGCSA-N 1 0 238.400 3.544 20 0 BHADRO COC(C)(C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000135233252 388485878 /nfs/dbraw/zinc/48/58/78/388485878.db2.gz GUXJKQGDUKVSJB-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccccc1C1CC([NH2+]Cc2ccoc2)C1 ZINC000135235452 179256320 /nfs/dbraw/zinc/25/63/20/179256320.db2.gz LSFCCENQZZYAEJ-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000135296230 388488793 /nfs/dbraw/zinc/48/87/93/388488793.db2.gz RMQYHZDOMNDKQJ-DNGMOHDESA-N 1 0 249.423 3.821 20 0 BHADRO CCSCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000135296243 325406020 /nfs/dbraw/zinc/40/60/20/325406020.db2.gz RMQYHZDOMNDKQJ-RNVIBTMRSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000135296686 388489298 /nfs/dbraw/zinc/48/92/98/388489298.db2.gz WGELSGUGPSPNSN-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000135296706 325405973 /nfs/dbraw/zinc/40/59/73/325405973.db2.gz WGELSGUGPSPNSN-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000135296724 325406169 /nfs/dbraw/zinc/40/61/69/325406169.db2.gz WGELSGUGPSPNSN-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1 ZINC000135296742 325406175 /nfs/dbraw/zinc/40/61/75/325406175.db2.gz WGELSGUGPSPNSN-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135317688 358830867 /nfs/dbraw/zinc/83/08/67/358830867.db2.gz WGKXEANMEKCRQA-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135317713 358830973 /nfs/dbraw/zinc/83/09/73/358830973.db2.gz WGKXEANMEKCRQA-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135322512 358831183 /nfs/dbraw/zinc/83/11/83/358831183.db2.gz KCWYYVAFBIIIRG-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135322529 358831140 /nfs/dbraw/zinc/83/11/40/358831140.db2.gz KCWYYVAFBIIIRG-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135348324 388492923 /nfs/dbraw/zinc/49/29/23/388492923.db2.gz RVTCZNGQLBZASB-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135348338 388492975 /nfs/dbraw/zinc/49/29/75/388492975.db2.gz RVTCZNGQLBZASB-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135348354 388492965 /nfs/dbraw/zinc/49/29/65/388492965.db2.gz RVTCZNGQLBZASB-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000135348375 388493035 /nfs/dbraw/zinc/49/30/35/388493035.db2.gz RVTCZNGQLBZASB-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135355894 358833432 /nfs/dbraw/zinc/83/34/32/358833432.db2.gz UHPBMGJZSBJRII-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135355911 358833248 /nfs/dbraw/zinc/83/32/48/358833248.db2.gz UHPBMGJZSBJRII-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135355929 358833234 /nfs/dbraw/zinc/83/32/34/358833234.db2.gz UHPBMGJZSBJRII-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000135355948 358833307 /nfs/dbraw/zinc/83/33/07/358833307.db2.gz UHPBMGJZSBJRII-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CSC(C)(C)CNc1cc[nH+]c2ccccc12 ZINC000135361394 592009846 /nfs/dbraw/zinc/00/98/46/592009846.db2.gz HDWDAKZEDFHEEC-UHFFFAOYSA-N 1 0 246.379 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2CCSCC2)c1 ZINC000135365539 388493426 /nfs/dbraw/zinc/49/34/26/388493426.db2.gz MDBSNAFSAALMKJ-CYBMUJFWSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2CCSCC2)c1 ZINC000135365559 325409502 /nfs/dbraw/zinc/40/95/02/325409502.db2.gz MDBSNAFSAALMKJ-ZDUSSCGKSA-N 1 0 249.423 3.789 20 0 BHADRO CCCCCC[NH2+]Cc1cncc2ccccc21 ZINC000135370481 592009775 /nfs/dbraw/zinc/00/97/75/592009775.db2.gz QHCHKIOIOVYCTQ-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CCCCC[NH2+]Cc1cncc2ccccc21 ZINC000135370600 592010209 /nfs/dbraw/zinc/01/02/09/592010209.db2.gz KBJFBTYMOFSUQP-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO c1ccc(C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000135370713 592010202 /nfs/dbraw/zinc/01/02/02/592010202.db2.gz WRQMJFAJPLRXCI-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO c1ccc2c(c1)cncc2C[NH2+]C1CCCCC1 ZINC000135370743 592009692 /nfs/dbraw/zinc/00/96/92/592009692.db2.gz MKMNTOJPTYGPJP-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC(C)N(CCCc1ccccc1)CC(F)F ZINC000135372214 323028822 /nfs/dbraw/zinc/02/88/22/323028822.db2.gz UXWGJIKUSLMRSL-UHFFFAOYSA-N 1 0 241.325 3.595 20 0 BHADRO CC(C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000135372529 592010023 /nfs/dbraw/zinc/01/00/23/592010023.db2.gz ZLIWJJRVLFQLCB-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO c1ccc2c(c1)cncc2C[NH2+]CC1CCCC1 ZINC000135372646 592010347 /nfs/dbraw/zinc/01/03/47/592010347.db2.gz LWLITZQPQJPWPG-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000135380140 592010573 /nfs/dbraw/zinc/01/05/73/592010573.db2.gz ZKQWMKZIMZFCEU-CQSZACIVSA-N 1 0 249.423 3.795 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000135380161 592010896 /nfs/dbraw/zinc/01/08/96/592010896.db2.gz ZKQWMKZIMZFCEU-AWEZNQCLSA-N 1 0 249.423 3.795 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000135384796 592011115 /nfs/dbraw/zinc/01/11/15/592011115.db2.gz BQFQSNXAROYRDR-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO Cc1cncc(-c2cccc(C[NH2+]C(C)C)c2)c1 ZINC000135418784 488034707 /nfs/dbraw/zinc/03/47/07/488034707.db2.gz SEQIARJBEVCPBT-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1cncc(-c2ccc(C[NH2+]C(C)C)cc2)c1 ZINC000135420229 488035497 /nfs/dbraw/zinc/03/54/97/488035497.db2.gz ZVCBAJFNXDZMGX-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO Cc1ccncc1C[NH2+]C1CCCCCCC1 ZINC000135430410 592012849 /nfs/dbraw/zinc/01/28/49/592012849.db2.gz NKKRBVFOUPUPTJ-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1cnccc1C ZINC000135433688 325412395 /nfs/dbraw/zinc/41/23/95/325412395.db2.gz BTVJWHADCHBSEV-CQSZACIVSA-N 1 0 234.387 3.696 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1cnccc1C ZINC000135433708 325412284 /nfs/dbraw/zinc/41/22/84/325412284.db2.gz BTVJWHADCHBSEV-AWEZNQCLSA-N 1 0 234.387 3.696 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)CCCC(C)C ZINC000135434819 134745195 /nfs/dbraw/zinc/74/51/95/134745195.db2.gz ARIOKQFLFFWWLE-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)CCCC(C)C ZINC000135434842 134744685 /nfs/dbraw/zinc/74/46/85/134744685.db2.gz ARIOKQFLFFWWLE-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccncc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000135446469 358838365 /nfs/dbraw/zinc/83/83/65/358838365.db2.gz GZIYGGQMFXWREF-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC000135449339 592013153 /nfs/dbraw/zinc/01/31/53/592013153.db2.gz DZFUONKJFMVWOG-CQSZACIVSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cnccc1C ZINC000135449360 592013261 /nfs/dbraw/zinc/01/32/61/592013261.db2.gz DZFUONKJFMVWOG-AWEZNQCLSA-N 1 0 234.387 3.839 20 0 BHADRO CCC1CCC(C[NH2+]Cc2cnccc2C)CC1 ZINC000135454066 358838594 /nfs/dbraw/zinc/83/85/94/358838594.db2.gz BMTIWLHCUYTQQH-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CC[C@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000135458604 384444764 /nfs/dbraw/zinc/44/47/64/384444764.db2.gz ALZLXVNEOHUSGP-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000135458628 345442314 /nfs/dbraw/zinc/44/23/14/345442314.db2.gz ALZLXVNEOHUSGP-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1cnccc1C)C1CCCCC1 ZINC000135459029 325413555 /nfs/dbraw/zinc/41/35/55/325413555.db2.gz GUAMRTGIBOSQQQ-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnccc1C)C1CCCCC1 ZINC000135459046 325413658 /nfs/dbraw/zinc/41/36/58/325413658.db2.gz GUAMRTGIBOSQQQ-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000135461666 358839890 /nfs/dbraw/zinc/83/98/90/358839890.db2.gz SMOLMGZAPVGASG-ZFWWWQNUSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000135461685 358839907 /nfs/dbraw/zinc/83/99/07/358839907.db2.gz SMOLMGZAPVGASG-DZGCQCFKSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000135461710 134745957 /nfs/dbraw/zinc/74/59/57/134745957.db2.gz SMOLMGZAPVGASG-HIFRSBDPSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000135461732 134746305 /nfs/dbraw/zinc/74/63/05/134746305.db2.gz SMOLMGZAPVGASG-UKRRQHHQSA-N 1 0 246.398 3.696 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](O)CCC)c1ccccc1 ZINC000135463318 325413754 /nfs/dbraw/zinc/41/37/54/325413754.db2.gz YNSHPJZYQFNKDM-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](O)CCC)c1ccccc1 ZINC000135463339 325413709 /nfs/dbraw/zinc/41/37/09/325413709.db2.gz YNSHPJZYQFNKDM-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](O)CCC)c1ccccc1 ZINC000135463359 325413660 /nfs/dbraw/zinc/41/36/60/325413660.db2.gz YNSHPJZYQFNKDM-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](O)CCC)c1ccccc1 ZINC000135463381 325413631 /nfs/dbraw/zinc/41/36/31/325413631.db2.gz YNSHPJZYQFNKDM-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000135465244 358839915 /nfs/dbraw/zinc/83/99/15/358839915.db2.gz ZBEXDJMKYROZAZ-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000135465264 358839816 /nfs/dbraw/zinc/83/98/16/358839816.db2.gz ZBEXDJMKYROZAZ-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000135465282 358839754 /nfs/dbraw/zinc/83/97/54/358839754.db2.gz ZBEXDJMKYROZAZ-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000135465301 358839871 /nfs/dbraw/zinc/83/98/71/358839871.db2.gz ZBEXDJMKYROZAZ-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cnccc2C)c1 ZINC000135467493 358839956 /nfs/dbraw/zinc/83/99/56/358839956.db2.gz MLPUNMCUBOQXGE-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cnccc2C)c1 ZINC000135467512 358839692 /nfs/dbraw/zinc/83/96/92/358839692.db2.gz MLPUNMCUBOQXGE-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000135467701 325413603 /nfs/dbraw/zinc/41/36/03/325413603.db2.gz VVDLLFQISHMCAT-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)C1CCCCCC1 ZINC000135467720 325413704 /nfs/dbraw/zinc/41/37/04/325413704.db2.gz VVDLLFQISHMCAT-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](CC)CCO)c1ccccc1 ZINC000135469312 358839892 /nfs/dbraw/zinc/83/98/92/358839892.db2.gz SDVPXTPMJMBKSZ-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H](CC)CCO)c1ccccc1 ZINC000135469332 358839618 /nfs/dbraw/zinc/83/96/18/358839618.db2.gz SDVPXTPMJMBKSZ-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+][C@H](CC)CCO)c1ccccc1 ZINC000135469354 535069326 /nfs/dbraw/zinc/06/93/26/535069326.db2.gz SDVPXTPMJMBKSZ-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+][C@H](CC)CCO)c1ccccc1 ZINC000135469373 358839742 /nfs/dbraw/zinc/83/97/42/358839742.db2.gz SDVPXTPMJMBKSZ-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]CC(C)(C)OC)c1ccccc1 ZINC000135471199 325413910 /nfs/dbraw/zinc/41/39/10/325413910.db2.gz DTEAJOFDEMUHOR-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H]([NH2+]CC(C)(C)OC)c1ccccc1 ZINC000135471220 325413964 /nfs/dbraw/zinc/41/39/64/325413964.db2.gz DTEAJOFDEMUHOR-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000135484651 388497947 /nfs/dbraw/zinc/49/79/47/388497947.db2.gz IQICPKLUSJQYIQ-BOSPYUDASA-N 1 0 247.407 3.527 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000135484667 388497374 /nfs/dbraw/zinc/49/73/74/388497374.db2.gz IQICPKLUSJQYIQ-FUVBFXSKSA-N 1 0 247.407 3.527 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135562788 325417995 /nfs/dbraw/zinc/41/79/95/325417995.db2.gz HCWNTLRUEIBMDS-UHFFFAOYSA-N 1 0 243.272 3.594 20 0 BHADRO CC1CC([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000135562815 325417908 /nfs/dbraw/zinc/41/79/08/325417908.db2.gz BVACWLLSWKDHFC-UHFFFAOYSA-N 1 0 243.272 3.594 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]C1CC(C)C1 ZINC000135562941 325417964 /nfs/dbraw/zinc/41/79/64/325417964.db2.gz XTIMPAXFACIGMO-UHFFFAOYSA-N 1 0 243.350 3.883 20 0 BHADRO CCCCOc1ccc(C[NH2+]C2CC(C)C2)cc1 ZINC000135563294 325418027 /nfs/dbraw/zinc/41/80/27/325418027.db2.gz QOKSEMRJJRXIKE-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1CC([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000135564029 358844406 /nfs/dbraw/zinc/84/44/06/358844406.db2.gz LTNFBHGSUZLCLV-UHFFFAOYSA-N 1 0 243.272 3.594 20 0 BHADRO CC1CC([NH2+]Cc2cccc3ccccc32)C1 ZINC000135564750 325418097 /nfs/dbraw/zinc/41/80/97/325418097.db2.gz YWBLHVFVGWFADP-UHFFFAOYSA-N 1 0 225.335 3.728 20 0 BHADRO CC1CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000135564805 325417910 /nfs/dbraw/zinc/41/79/10/325417910.db2.gz LRKWPRUCVYYHLZ-UHFFFAOYSA-N 1 0 225.335 3.728 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]CCCC1CC1 ZINC000135586848 325418676 /nfs/dbraw/zinc/41/86/76/325418676.db2.gz RIJQLRBDZHEHNQ-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]CCCC1CC1 ZINC000135586865 388501328 /nfs/dbraw/zinc/50/13/28/388501328.db2.gz RIJQLRBDZHEHNQ-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1([NH2+]Cc2cccc3cccnc32)CCC1 ZINC000135620790 384456419 /nfs/dbraw/zinc/45/64/19/384456419.db2.gz SAIFGSKYPPEBKR-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCOc1cccc(C[NH2+]C2(CC)CCC2)c1 ZINC000135620982 325420149 /nfs/dbraw/zinc/42/01/49/325420149.db2.gz KDJTXRDXNUMOSC-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(CC)CCC2)c1 ZINC000135621394 325420121 /nfs/dbraw/zinc/42/01/21/325420121.db2.gz SZHAQOZXEWQEFM-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCOc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000135622163 325420029 /nfs/dbraw/zinc/42/00/29/325420029.db2.gz GGPMVOKOSYFHDQ-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCC1([NH2+]Cc2cc(F)c(F)c(F)c2)CCC1 ZINC000135622428 325420293 /nfs/dbraw/zinc/42/02/93/325420293.db2.gz CUPILJFANZSLSH-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CCC1([NH2+]Cc2cccc(OC(C)C)c2)CCC1 ZINC000135622928 325420193 /nfs/dbraw/zinc/42/01/93/325420193.db2.gz QJJOWOJXOLAAHE-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000135623086 325420119 /nfs/dbraw/zinc/42/01/19/325420119.db2.gz AYWXPQVCKVLHMM-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCC1([NH2+]Cc2ccc(OC(C)C)cc2)CCC1 ZINC000135623388 325420276 /nfs/dbraw/zinc/42/02/76/325420276.db2.gz JKWVQQHOUGVYLQ-UHFFFAOYSA-N 1 0 247.382 3.896 20 0 BHADRO CCC1([NH2+]Cc2ccnc3ccccc23)CCC1 ZINC000135623621 325420021 /nfs/dbraw/zinc/42/00/21/325420021.db2.gz RLRZQCOBOLMKJK-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCC1([NH2+]Cc2cccc3[nH]ccc32)CCC1 ZINC000135623993 384456668 /nfs/dbraw/zinc/45/66/68/384456668.db2.gz LPIVXYOAEGTQEY-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCC1([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CCC1 ZINC000135624301 388502347 /nfs/dbraw/zinc/50/23/47/388502347.db2.gz HRIMFRNOOYVGAK-WCQYABFASA-N 1 0 233.355 3.825 20 0 BHADRO CCC1([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CCC1 ZINC000135624328 388503068 /nfs/dbraw/zinc/50/30/68/388503068.db2.gz HRIMFRNOOYVGAK-AAEUAGOBSA-N 1 0 233.355 3.825 20 0 BHADRO CCC1([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CCC1 ZINC000135624351 388502412 /nfs/dbraw/zinc/50/24/12/388502412.db2.gz HRIMFRNOOYVGAK-DGCLKSJQSA-N 1 0 233.355 3.825 20 0 BHADRO CCC1([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CCC1 ZINC000135624375 325420690 /nfs/dbraw/zinc/42/06/90/325420690.db2.gz HRIMFRNOOYVGAK-YPMHNXCESA-N 1 0 233.355 3.825 20 0 BHADRO CCC1([NH2+]Cc2cc3ccccc3o2)CCC1 ZINC000135624878 388503107 /nfs/dbraw/zinc/50/31/07/388503107.db2.gz ZKZUKFYWXOMOBS-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(O)c1 ZINC000135644669 388503864 /nfs/dbraw/zinc/50/38/64/388503864.db2.gz IXHDFPAJZIMREO-CQSZACIVSA-N 1 0 233.355 3.547 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(O)c1 ZINC000135644700 388504074 /nfs/dbraw/zinc/50/40/74/388504074.db2.gz IXHDFPAJZIMREO-AWEZNQCLSA-N 1 0 233.355 3.547 20 0 BHADRO c1ccc2c(N[C@@H]3CCCSC3)cc[nH+]c2c1 ZINC000135660308 325421593 /nfs/dbraw/zinc/42/15/93/325421593.db2.gz LMSJPSCJGITOHC-LLVKDONJSA-N 1 0 244.363 3.542 20 0 BHADRO c1ccc2c(N[C@H]3CCCSC3)cc[nH+]c2c1 ZINC000135660345 388504353 /nfs/dbraw/zinc/50/43/53/388504353.db2.gz LMSJPSCJGITOHC-NSHDSACASA-N 1 0 244.363 3.542 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000135667387 388504176 /nfs/dbraw/zinc/50/41/76/388504176.db2.gz GMHFSPLYNYJUCV-MNOVXSKESA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000135667425 388504251 /nfs/dbraw/zinc/50/42/51/388504251.db2.gz GMHFSPLYNYJUCV-QWRGUYRKSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000135667457 388504596 /nfs/dbraw/zinc/50/45/96/388504596.db2.gz GMHFSPLYNYJUCV-GHMZBOCLSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000135667492 388503724 /nfs/dbraw/zinc/50/37/24/388503724.db2.gz GMHFSPLYNYJUCV-WDEREUQCSA-N 1 0 239.334 3.531 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000135694317 592032722 /nfs/dbraw/zinc/03/27/22/592032722.db2.gz CJBYSVGBYBOPOR-OCCSQVGLSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000135694354 592032636 /nfs/dbraw/zinc/03/26/36/592032636.db2.gz CJBYSVGBYBOPOR-JSGCOSHPSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000135694379 592032600 /nfs/dbraw/zinc/03/26/00/592032600.db2.gz CJBYSVGBYBOPOR-TZMCWYRMSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000135694409 592032663 /nfs/dbraw/zinc/03/26/63/592032663.db2.gz CJBYSVGBYBOPOR-GXTWGEPZSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCCSC2)c(C)c1 ZINC000135697159 388505486 /nfs/dbraw/zinc/50/54/86/388505486.db2.gz CZANUEDBXOMTGS-CQSZACIVSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCCSC2)c(C)c1 ZINC000135697193 388505357 /nfs/dbraw/zinc/50/53/57/388505357.db2.gz CZANUEDBXOMTGS-AWEZNQCLSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCCSC2)cc1C ZINC000135698697 325423016 /nfs/dbraw/zinc/42/30/16/325423016.db2.gz NIWJKZVRGJOVQW-OAHLLOKOSA-N 1 0 249.423 3.597 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCCSC2)cc1C ZINC000135698722 325423015 /nfs/dbraw/zinc/42/30/15/325423015.db2.gz NIWJKZVRGJOVQW-HNNXBMFYSA-N 1 0 249.423 3.597 20 0 BHADRO CCCCOCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000135706230 325423537 /nfs/dbraw/zinc/42/35/37/325423537.db2.gz SDCJIAQVWBAGFI-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCOCCC[NH2+][C@H](C)C1CCCCC1 ZINC000135706260 388506344 /nfs/dbraw/zinc/50/63/44/388506344.db2.gz SDCJIAQVWBAGFI-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000135741275 325425668 /nfs/dbraw/zinc/42/56/68/325425668.db2.gz KFKBCTAJMJHRQR-NWDGAFQWSA-N 1 0 235.371 3.780 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000135741318 325425483 /nfs/dbraw/zinc/42/54/83/325425483.db2.gz KFKBCTAJMJHRQR-VXGBXAGGSA-N 1 0 235.371 3.780 20 0 BHADRO CCC[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000135742491 358849106 /nfs/dbraw/zinc/84/91/06/358849106.db2.gz HUBMJCVKZFCMGV-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000135742535 358849170 /nfs/dbraw/zinc/84/91/70/358849170.db2.gz HUBMJCVKZFCMGV-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000135742583 358848691 /nfs/dbraw/zinc/84/86/91/358848691.db2.gz HUBMJCVKZFCMGV-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000135742624 358848439 /nfs/dbraw/zinc/84/84/39/358848439.db2.gz HUBMJCVKZFCMGV-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[NH2+]Cc1cncc2ccccc21 ZINC000135750562 592044574 /nfs/dbraw/zinc/04/45/74/592044574.db2.gz LJEUGYXYLFXGAT-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000135751260 325425750 /nfs/dbraw/zinc/42/57/50/325425750.db2.gz OXNFLMHJNOCICD-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000135751291 388508875 /nfs/dbraw/zinc/50/88/75/388508875.db2.gz OXNFLMHJNOCICD-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CC1([NH2+]Cc2cncc3ccccc32)CCCC1 ZINC000135752385 592044857 /nfs/dbraw/zinc/04/48/57/592044857.db2.gz RXTATYGQEGIJLB-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000135755311 358848877 /nfs/dbraw/zinc/84/88/77/358848877.db2.gz YFFWWWLBFXGQNP-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](CCO)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000135755345 358848718 /nfs/dbraw/zinc/84/87/18/358848718.db2.gz YFFWWWLBFXGQNP-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000135755381 358849099 /nfs/dbraw/zinc/84/90/99/358849099.db2.gz YFFWWWLBFXGQNP-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](CCO)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000135755415 358849046 /nfs/dbraw/zinc/84/90/46/358849046.db2.gz YFFWWWLBFXGQNP-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000135759045 358849136 /nfs/dbraw/zinc/84/91/36/358849136.db2.gz HUCMWQCXIDXADS-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO COC(C)(C)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000135759079 358849147 /nfs/dbraw/zinc/84/91/47/358849147.db2.gz HUCMWQCXIDXADS-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cncc2ccccc21 ZINC000135764047 584968170 /nfs/dbraw/zinc/96/81/70/584968170.db2.gz PRRKYMMQBQMUKO-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cncc2ccccc21 ZINC000135778248 592054569 /nfs/dbraw/zinc/05/45/69/592054569.db2.gz IREQNUFDHTUKOA-OAHLLOKOSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cncc2ccccc21 ZINC000135778283 592054738 /nfs/dbraw/zinc/05/47/38/592054738.db2.gz IREQNUFDHTUKOA-HNNXBMFYSA-N 1 0 242.366 3.903 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc2ccccc21 ZINC000135779372 592054380 /nfs/dbraw/zinc/05/43/80/592054380.db2.gz DNPYLYIZPHLNAM-WBMJQRKESA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc2ccccc21 ZINC000135779413 592054778 /nfs/dbraw/zinc/05/47/78/592054778.db2.gz DNPYLYIZPHLNAM-LRDDRELGSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000135779450 592054674 /nfs/dbraw/zinc/05/46/74/592054674.db2.gz DNPYLYIZPHLNAM-MLGOLLRUSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000135779484 592054751 /nfs/dbraw/zinc/05/47/51/592054751.db2.gz DNPYLYIZPHLNAM-BLLLJJGKSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000135784046 592054445 /nfs/dbraw/zinc/05/44/45/592054445.db2.gz CQRUUQFUTBADMT-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000135784087 592054515 /nfs/dbraw/zinc/05/45/15/592054515.db2.gz CQRUUQFUTBADMT-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CCCCOCCC[NH2+]C1CCCCCC1 ZINC000135805162 388509933 /nfs/dbraw/zinc/50/99/33/388509933.db2.gz MYOGXWCNXAMBNE-UHFFFAOYSA-N 1 0 227.392 3.506 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000135856232 325430378 /nfs/dbraw/zinc/43/03/78/325430378.db2.gz SUDYFCUVHXYLDD-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000135904187 491132752 /nfs/dbraw/zinc/13/27/52/491132752.db2.gz SLBUMZFSGPOLSB-CQSZACIVSA-N 1 0 233.355 3.547 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000135904203 538117464 /nfs/dbraw/zinc/11/74/64/538117464.db2.gz SLBUMZFSGPOLSB-AWEZNQCLSA-N 1 0 233.355 3.547 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCC(C)(C)C)c1 ZINC000135984632 388517914 /nfs/dbraw/zinc/51/79/14/388517914.db2.gz BFGBUPJUELMYCB-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C)c(C)c1 ZINC000135984678 325435903 /nfs/dbraw/zinc/43/59/03/325435903.db2.gz NUDSDPWXWQDLCB-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO CCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000135984740 325436316 /nfs/dbraw/zinc/43/63/16/325436316.db2.gz RIVSKEIFHANOPQ-UHFFFAOYSA-N 1 0 219.372 3.775 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000135984783 325436530 /nfs/dbraw/zinc/43/65/30/325436530.db2.gz QLJSTORKEDJSHM-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cncs1 ZINC000136043052 325439035 /nfs/dbraw/zinc/43/90/35/325439035.db2.gz GHXFVMODHXRALT-UHFFFAOYSA-N 1 0 240.416 3.694 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C)cc1C ZINC000136059415 325439566 /nfs/dbraw/zinc/43/95/66/325439566.db2.gz BKNDUJQEHAAXHL-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO FC(F)(F)SCC[NH2+]C1CCCCCC1 ZINC000136061585 711683241 /nfs/dbraw/zinc/68/32/41/711683241.db2.gz NZILLFYSCADACR-UHFFFAOYSA-N 1 0 241.322 3.552 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)CC(C)(C)C1 ZINC000136063118 358862085 /nfs/dbraw/zinc/86/20/85/358862085.db2.gz WBONQNZASIVLNL-YPMHNXCESA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccoc2)CC(C)(C)C1 ZINC000136063148 358861931 /nfs/dbraw/zinc/86/19/31/358861931.db2.gz WBONQNZASIVLNL-AAEUAGOBSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)CC(C)(C)C1 ZINC000136063181 358862196 /nfs/dbraw/zinc/86/21/96/358862196.db2.gz WBONQNZASIVLNL-DGCLKSJQSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)CC(C)(C)C1 ZINC000136063223 358862104 /nfs/dbraw/zinc/86/21/04/358862104.db2.gz WBONQNZASIVLNL-WCQYABFASA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@](C)([NH2+]Cc1cncs1)c1ccccc1 ZINC000136089170 592093386 /nfs/dbraw/zinc/09/33/86/592093386.db2.gz IZBQOYNSPCMTRI-AWEZNQCLSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cncs1)c1ccccc1 ZINC000136089203 592093608 /nfs/dbraw/zinc/09/36/08/592093608.db2.gz IZBQOYNSPCMTRI-CQSZACIVSA-N 1 0 246.379 3.558 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000136095597 323180899 /nfs/dbraw/zinc/18/08/99/323180899.db2.gz ZCENBBWJTBPXPS-PSASIEDQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000136095625 388521783 /nfs/dbraw/zinc/52/17/83/388521783.db2.gz ZCENBBWJTBPXPS-WCBMZHEXSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000136095655 388521765 /nfs/dbraw/zinc/52/17/65/388521765.db2.gz ZCENBBWJTBPXPS-SCZZXKLOSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000136095691 325441154 /nfs/dbraw/zinc/44/11/54/325441154.db2.gz ZCENBBWJTBPXPS-WPRPVWTQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000136162825 176240467 /nfs/dbraw/zinc/24/04/67/176240467.db2.gz WWTHDWUCQPLGGK-MLGOLLRUSA-N 1 0 241.334 3.693 20 0 BHADRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000136162858 177210067 /nfs/dbraw/zinc/21/00/67/177210067.db2.gz WWTHDWUCQPLGGK-BLLLJJGKSA-N 1 0 241.334 3.693 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000136162896 176240248 /nfs/dbraw/zinc/24/02/48/176240248.db2.gz WWTHDWUCQPLGGK-WBMJQRKESA-N 1 0 241.334 3.693 20 0 BHADRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000136162932 177210039 /nfs/dbraw/zinc/21/00/39/177210039.db2.gz WWTHDWUCQPLGGK-LRDDRELGSA-N 1 0 241.334 3.693 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136174773 325444402 /nfs/dbraw/zinc/44/44/02/325444402.db2.gz JVMCJXACAZKEIJ-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136174815 388525668 /nfs/dbraw/zinc/52/56/68/388525668.db2.gz JVMCJXACAZKEIJ-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000136206624 345487926 /nfs/dbraw/zinc/48/79/26/345487926.db2.gz HQGQIUZIVXPAEY-SNVBAGLBSA-N 1 0 240.416 3.719 20 0 BHADRO CC(C)(C)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000136208752 325445505 /nfs/dbraw/zinc/44/55/05/325445505.db2.gz KJTFODIJNCHQCR-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(SC)cc1 ZINC000136208839 323031343 /nfs/dbraw/zinc/03/13/43/323031343.db2.gz OVDKZZKFMKTTOY-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000136209385 345961227 /nfs/dbraw/zinc/96/12/27/345961227.db2.gz MJQJIMCXOHGJME-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000136209410 345961611 /nfs/dbraw/zinc/96/16/11/345961611.db2.gz MJQJIMCXOHGJME-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1 ZINC000136212529 345488860 /nfs/dbraw/zinc/48/88/60/345488860.db2.gz PQBAEGMNEDPLDL-NSHDSACASA-N 1 0 235.396 3.544 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000136212574 345961666 /nfs/dbraw/zinc/96/16/66/345961666.db2.gz PQBAEGMNEDPLDL-LLVKDONJSA-N 1 0 235.396 3.544 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000136213450 345961123 /nfs/dbraw/zinc/96/11/23/345961123.db2.gz ZOBXPGSFCLNNQU-LKSINWNRSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)C2CC2)CC1 ZINC000136213490 345961243 /nfs/dbraw/zinc/96/12/43/345961243.db2.gz ZOBXPGSFCLNNQU-DCBWTQNWSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000136213628 346170712 /nfs/dbraw/zinc/17/07/12/346170712.db2.gz OALVYGVEPBWMCP-DNOWBOINSA-N 1 0 223.404 3.981 20 0 BHADRO CCCC1CCC([NH2+]C[C@H](C)C2CC2)CC1 ZINC000136213664 346170406 /nfs/dbraw/zinc/17/04/06/346170406.db2.gz OALVYGVEPBWMCP-OPFPJEHXSA-N 1 0 223.404 3.981 20 0 BHADRO C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000136214518 346170398 /nfs/dbraw/zinc/17/03/98/346170398.db2.gz LKRMTAIREXEDCF-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000136214556 346170698 /nfs/dbraw/zinc/17/06/98/346170698.db2.gz LKRMTAIREXEDCF-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000136248712 323031418 /nfs/dbraw/zinc/03/14/18/323031418.db2.gz VJSRTQAEFAMHMR-AHPWVWPOSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000136248746 325447277 /nfs/dbraw/zinc/44/72/77/325447277.db2.gz VJSRTQAEFAMHMR-RJZJGCCBSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000136248779 325447282 /nfs/dbraw/zinc/44/72/82/325447282.db2.gz VJSRTQAEFAMHMR-ZIHBUVQPSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000136248819 388528211 /nfs/dbraw/zinc/52/82/11/388528211.db2.gz VJSRTQAEFAMHMR-NELGMTEASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000136249820 388528562 /nfs/dbraw/zinc/52/85/62/388528562.db2.gz ZUXUBWQJYQIMED-PSASIEDQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000136249863 325447301 /nfs/dbraw/zinc/44/73/01/325447301.db2.gz ZUXUBWQJYQIMED-WCBMZHEXSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000136249894 388528459 /nfs/dbraw/zinc/52/84/59/388528459.db2.gz ZUXUBWQJYQIMED-SCZZXKLOSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000136249943 325447353 /nfs/dbraw/zinc/44/73/53/325447353.db2.gz ZUXUBWQJYQIMED-WPRPVWTQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000136249989 388528568 /nfs/dbraw/zinc/52/85/68/388528568.db2.gz ZQGGKEOWALAXBB-PSASIEDQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000136250040 325447512 /nfs/dbraw/zinc/44/75/12/325447512.db2.gz ZQGGKEOWALAXBB-WCBMZHEXSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000136250081 388528265 /nfs/dbraw/zinc/52/82/65/388528265.db2.gz ZQGGKEOWALAXBB-SCZZXKLOSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000136250133 388527933 /nfs/dbraw/zinc/52/79/33/388527933.db2.gz ZQGGKEOWALAXBB-WPRPVWTQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000136256478 346179513 /nfs/dbraw/zinc/17/95/13/346179513.db2.gz WPYPQKGNORBFBM-PSASIEDQSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000136256521 346179450 /nfs/dbraw/zinc/17/94/50/346179450.db2.gz WPYPQKGNORBFBM-WCBMZHEXSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000136256570 346179647 /nfs/dbraw/zinc/17/96/47/346179647.db2.gz WPYPQKGNORBFBM-SCZZXKLOSA-N 1 0 244.165 3.739 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000136256608 346179573 /nfs/dbraw/zinc/17/95/73/346179573.db2.gz WPYPQKGNORBFBM-WPRPVWTQSA-N 1 0 244.165 3.739 20 0 BHADRO CCC1([NH2+]Cc2cc(F)c(F)cc2F)CCC1 ZINC000136276955 325448686 /nfs/dbraw/zinc/44/86/86/325448686.db2.gz JPZIWRXJJQSYED-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCC(C)(C)C)c1 ZINC000136289054 388529172 /nfs/dbraw/zinc/52/91/72/388529172.db2.gz LYJBPVGKBOHRQG-UHFFFAOYSA-N 1 0 219.372 3.829 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000136298038 346187034 /nfs/dbraw/zinc/18/70/34/346187034.db2.gz HZPMXLOKYAESOK-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000136298076 345499995 /nfs/dbraw/zinc/49/99/95/345499995.db2.gz HZPMXLOKYAESOK-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCSCC2)CC(C)(C)C1 ZINC000136309432 325449520 /nfs/dbraw/zinc/44/95/20/325449520.db2.gz NWQJLQZBUFBPIP-YPMHNXCESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCSCC2)CC(C)(C)C1 ZINC000136309482 325449345 /nfs/dbraw/zinc/44/93/45/325449345.db2.gz NWQJLQZBUFBPIP-AAEUAGOBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CC(C)(C)C1 ZINC000136309517 325449339 /nfs/dbraw/zinc/44/93/39/325449339.db2.gz NWQJLQZBUFBPIP-DGCLKSJQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCSCC2)CC(C)(C)C1 ZINC000136309561 325449656 /nfs/dbraw/zinc/44/96/56/325449656.db2.gz NWQJLQZBUFBPIP-WCQYABFASA-N 1 0 241.444 3.686 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCSC2)cc(C2CC2)c1 ZINC000136342041 136373175 /nfs/dbraw/zinc/37/31/75/136373175.db2.gz DEDOTUZHOVBNHZ-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCSC2)cc(C2CC2)c1 ZINC000136342072 136372945 /nfs/dbraw/zinc/37/29/45/136372945.db2.gz DEDOTUZHOVBNHZ-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO C1=CCC([NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000136342688 491056188 /nfs/dbraw/zinc/05/61/88/491056188.db2.gz KYELKCKSGCBOEP-UHFFFAOYSA-N 1 0 248.395 3.609 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000136344879 136373123 /nfs/dbraw/zinc/37/31/23/136373123.db2.gz GCUGGOIGEHFVGM-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000136344921 136373146 /nfs/dbraw/zinc/37/31/46/136373146.db2.gz GCUGGOIGEHFVGM-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C[NH2+]C2CCSCC2)cc(C2CC2)c1 ZINC000136356622 358874305 /nfs/dbraw/zinc/87/43/05/358874305.db2.gz AYHHRNIWAKRMDZ-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C1CCSCC1 ZINC000136357790 134772050 /nfs/dbraw/zinc/77/20/50/134772050.db2.gz CLUHYTWPBLRCCX-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000136382584 388532011 /nfs/dbraw/zinc/53/20/11/388532011.db2.gz ACFKTJLNKRIAMW-LBPRGKRZSA-N 1 0 229.726 3.740 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000136382615 325452273 /nfs/dbraw/zinc/45/22/73/325452273.db2.gz ACFKTJLNKRIAMW-GFCCVEGCSA-N 1 0 229.726 3.740 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCC(C)(C)C ZINC000136401684 325453514 /nfs/dbraw/zinc/45/35/14/325453514.db2.gz ROSHWZQPGXCYOI-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO FCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000136415947 325454050 /nfs/dbraw/zinc/45/40/50/325454050.db2.gz RBJKUIFPDLAGMK-CYBMUJFWSA-N 1 0 241.737 3.740 20 0 BHADRO FCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000136415981 388534025 /nfs/dbraw/zinc/53/40/25/388534025.db2.gz RBJKUIFPDLAGMK-ZDUSSCGKSA-N 1 0 241.737 3.740 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]CCCF)o2)cc1 ZINC000136512819 388540006 /nfs/dbraw/zinc/54/00/06/388540006.db2.gz XXBZLBHHBYEZHQ-UHFFFAOYSA-N 1 0 247.313 3.704 20 0 BHADRO CC(C)Cc1ccc([C@@H](C)NCC(F)F)cc1 ZINC000136573421 491061192 /nfs/dbraw/zinc/06/11/92/491061192.db2.gz VVZABSLKCGDNLT-LLVKDONJSA-N 1 0 241.325 3.801 20 0 BHADRO FC(F)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000136580542 398342732 /nfs/dbraw/zinc/34/27/32/398342732.db2.gz IEEQKFJYRZPEMU-UHFFFAOYSA-N 1 0 239.309 3.568 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CCCF)c1ccccc1 ZINC000136651960 388544422 /nfs/dbraw/zinc/54/44/22/388544422.db2.gz ABHNVNIJGYWZAI-CYBMUJFWSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000136652008 388544393 /nfs/dbraw/zinc/54/43/93/388544393.db2.gz ABHNVNIJGYWZAI-ZDUSSCGKSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CCCF)c1ccc(F)cc1 ZINC000136672214 388545490 /nfs/dbraw/zinc/54/54/90/388545490.db2.gz GPFIFTPPIDUJDX-CYBMUJFWSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CCCF)c1ccc(F)cc1 ZINC000136672246 388545865 /nfs/dbraw/zinc/54/58/65/388545865.db2.gz GPFIFTPPIDUJDX-ZDUSSCGKSA-N 1 0 241.325 3.862 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000136822983 388549519 /nfs/dbraw/zinc/54/95/19/388549519.db2.gz COQHINZITKZTCH-DZGCQCFKSA-N 1 0 247.382 3.772 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000136823026 388549246 /nfs/dbraw/zinc/54/92/46/388549246.db2.gz COQHINZITKZTCH-ZFWWWQNUSA-N 1 0 247.382 3.772 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000136823062 388549921 /nfs/dbraw/zinc/54/99/21/388549921.db2.gz COQHINZITKZTCH-UKRRQHHQSA-N 1 0 247.382 3.772 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000136823099 388548978 /nfs/dbraw/zinc/54/89/78/388548978.db2.gz COQHINZITKZTCH-HIFRSBDPSA-N 1 0 247.382 3.772 20 0 BHADRO CC(C)([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000137055106 388556031 /nfs/dbraw/zinc/55/60/31/388556031.db2.gz FQYCXIZQJJZCKH-UHFFFAOYSA-N 1 0 229.726 3.524 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCF ZINC000137074615 325477494 /nfs/dbraw/zinc/47/74/94/325477494.db2.gz HJPUDDWJSKTEDK-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCF ZINC000137074641 325477461 /nfs/dbraw/zinc/47/74/61/325477461.db2.gz HJPUDDWJSKTEDK-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC000137074673 388556135 /nfs/dbraw/zinc/55/61/35/388556135.db2.gz HJPUDDWJSKTEDK-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCF ZINC000137074693 388556112 /nfs/dbraw/zinc/55/61/12/388556112.db2.gz HJPUDDWJSKTEDK-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO FCCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000137081512 388555931 /nfs/dbraw/zinc/55/59/31/388555931.db2.gz NZPLYWNCTAXNMP-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO Cc1cccc(C2([NH2+]CCCF)CCCC2)c1 ZINC000137081695 388556251 /nfs/dbraw/zinc/55/62/51/388556251.db2.gz XSNMJSDWRCMKDQ-UHFFFAOYSA-N 1 0 235.346 3.714 20 0 BHADRO FCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000137096390 384518180 /nfs/dbraw/zinc/51/81/80/384518180.db2.gz HZSXLICUCLHNJD-CQSZACIVSA-N 1 0 239.309 3.616 20 0 BHADRO FCCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000137096435 384516801 /nfs/dbraw/zinc/51/68/01/384516801.db2.gz HZSXLICUCLHNJD-AWEZNQCLSA-N 1 0 239.309 3.616 20 0 BHADRO FCCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000137098097 325479659 /nfs/dbraw/zinc/47/96/59/325479659.db2.gz VTWOIDPJFIISCN-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CCC1 ZINC000137687049 134781870 /nfs/dbraw/zinc/78/18/70/134781870.db2.gz UKLYHZRSSBREKW-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CCC1 ZINC000137687103 358898899 /nfs/dbraw/zinc/89/88/99/358898899.db2.gz UKLYHZRSSBREKW-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CCC1 ZINC000137746638 358899899 /nfs/dbraw/zinc/89/98/99/358899899.db2.gz IWIIVWJILZQAPY-WCQYABFASA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CCC1 ZINC000137746705 358900454 /nfs/dbraw/zinc/90/04/54/358900454.db2.gz IWIIVWJILZQAPY-DGCLKSJQSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)C1CCC1 ZINC000137746761 358900178 /nfs/dbraw/zinc/90/01/78/358900178.db2.gz IWIIVWJILZQAPY-AAEUAGOBSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C1CCC1 ZINC000137746821 134782877 /nfs/dbraw/zinc/78/28/77/134782877.db2.gz IWIIVWJILZQAPY-YPMHNXCESA-N 1 0 247.407 3.654 20 0 BHADRO CCC[NH+](C/C=C/c1ccccc1)CCC ZINC000138096153 345693828 /nfs/dbraw/zinc/69/38/28/345693828.db2.gz CVDBTODNFIHEQA-DHZHZOJOSA-N 1 0 217.356 3.822 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1)C1CCCCC1 ZINC000138098351 358902005 /nfs/dbraw/zinc/90/20/05/358902005.db2.gz QISBTAGZSNALMP-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCCCC2)cn1 ZINC000138098570 358902072 /nfs/dbraw/zinc/90/20/72/358902072.db2.gz KHNLUABFDBGBOA-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO Cc1ccc(CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000138508764 360778838 /nfs/dbraw/zinc/77/88/38/360778838.db2.gz UPHBBSOXUUCKHY-UHFFFAOYSA-N 1 0 239.362 3.670 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138918013 191204744 /nfs/dbraw/zinc/20/47/44/191204744.db2.gz GSTWCCIGJOGVDD-XJFOESAGSA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000138940870 191208702 /nfs/dbraw/zinc/20/87/02/191208702.db2.gz BVUDBTGOUIXQJJ-MJBXVCDLSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000138940962 191209385 /nfs/dbraw/zinc/20/93/85/191209385.db2.gz BVUDBTGOUIXQJJ-IHRRRGAJSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000138941048 191209100 /nfs/dbraw/zinc/20/91/00/191209100.db2.gz BVUDBTGOUIXQJJ-BFHYXJOUSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000138941108 191208709 /nfs/dbraw/zinc/20/87/09/191208709.db2.gz BVUDBTGOUIXQJJ-MELADBBJSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)c1ncc[nH]1 ZINC000138967095 491129860 /nfs/dbraw/zinc/12/98/60/491129860.db2.gz XTRUDSBNDVXMBM-NSHDSACASA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)c1ncc[nH]1 ZINC000138967175 491129854 /nfs/dbraw/zinc/12/98/54/491129854.db2.gz XTRUDSBNDVXMBM-LLVKDONJSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000139000831 191235760 /nfs/dbraw/zinc/23/57/60/191235760.db2.gz ITNONJASVNEAGV-RWMBFGLXSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000139001050 191235608 /nfs/dbraw/zinc/23/56/08/191235608.db2.gz ITNONJASVNEAGV-AVGNSLFASA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000139004470 491130184 /nfs/dbraw/zinc/13/01/84/491130184.db2.gz QVMOLLDJSJEAEV-LBPRGKRZSA-N 1 0 237.391 3.521 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000139004550 491130160 /nfs/dbraw/zinc/13/01/60/491130160.db2.gz QVMOLLDJSJEAEV-GFCCVEGCSA-N 1 0 237.391 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(C)cc1 ZINC000139039370 491105134 /nfs/dbraw/zinc/10/51/34/491105134.db2.gz WPCJYTPAHQPZKQ-JSGCOSHPSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(C)cc1 ZINC000139039488 491105150 /nfs/dbraw/zinc/10/51/50/491105150.db2.gz WPCJYTPAHQPZKQ-GXTWGEPZSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccc(C)cc1 ZINC000139039610 491105116 /nfs/dbraw/zinc/10/51/16/491105116.db2.gz WPCJYTPAHQPZKQ-OCCSQVGLSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccc(C)cc1 ZINC000139039744 491105146 /nfs/dbraw/zinc/10/51/46/491105146.db2.gz WPCJYTPAHQPZKQ-TZMCWYRMSA-N 1 0 243.354 3.520 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139056518 491130239 /nfs/dbraw/zinc/13/02/39/491130239.db2.gz JCFJMVWCNDHPKN-JSGCOSHPSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139056607 491130262 /nfs/dbraw/zinc/13/02/62/491130262.db2.gz JCFJMVWCNDHPKN-GXTWGEPZSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139056718 491130236 /nfs/dbraw/zinc/13/02/36/491130236.db2.gz JCFJMVWCNDHPKN-OCCSQVGLSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000139056822 491130268 /nfs/dbraw/zinc/13/02/68/491130268.db2.gz JCFJMVWCNDHPKN-TZMCWYRMSA-N 1 0 243.354 3.602 20 0 BHADRO CC(C)[N@H+](CCOC(C)(C)C)Cc1ccccc1 ZINC000139196016 364588663 /nfs/dbraw/zinc/58/86/63/364588663.db2.gz NLBXHZFHFLQQIX-UHFFFAOYSA-N 1 0 249.398 3.712 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000139628500 345799882 /nfs/dbraw/zinc/79/98/82/345799882.db2.gz KXAOKCWKVMMKDU-INIZCTEOSA-N 1 0 231.383 3.597 20 0 BHADRO c1ccc2c(c1)[nH+]ccc2N1CCCCCC1 ZINC000140122790 345699949 /nfs/dbraw/zinc/69/99/49/345699949.db2.gz KUSSMOXEUKVFHT-UHFFFAOYSA-N 1 0 226.323 3.615 20 0 BHADRO CC[NH+](CC)CC[C@@H](C)c1ccccc1 ZINC000140202916 325585886 /nfs/dbraw/zinc/58/58/86/325585886.db2.gz GZJJMSLGSVCINI-CYBMUJFWSA-N 1 0 205.345 3.522 20 0 BHADRO CC[NH+](CC)CC[C@H](C)c1ccccc1 ZINC000140203008 388658458 /nfs/dbraw/zinc/65/84/58/388658458.db2.gz GZJJMSLGSVCINI-ZDUSSCGKSA-N 1 0 205.345 3.522 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccccc1 ZINC000140332558 191712657 /nfs/dbraw/zinc/71/26/57/191712657.db2.gz OOIIEIKWSSOEDE-UHFFFAOYSA-N 1 0 219.372 3.993 20 0 BHADRO CC(C)=CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000140338225 372576089 /nfs/dbraw/zinc/57/60/89/372576089.db2.gz FSUHPSQJSYQISZ-AWEZNQCLSA-N 1 0 217.356 3.688 20 0 BHADRO CC(C)=CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000140338384 343072269 /nfs/dbraw/zinc/07/22/69/343072269.db2.gz FSUHPSQJSYQISZ-CQSZACIVSA-N 1 0 217.356 3.688 20 0 BHADRO CC(C)CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000140954332 397982329 /nfs/dbraw/zinc/98/23/29/397982329.db2.gz GBAHQWBDPBJPEM-CQSZACIVSA-N 1 0 219.372 3.768 20 0 BHADRO CC(C)CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000140954504 397982609 /nfs/dbraw/zinc/98/26/09/397982609.db2.gz GBAHQWBDPBJPEM-AWEZNQCLSA-N 1 0 219.372 3.768 20 0 BHADRO CC(C)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000141040494 344749377 /nfs/dbraw/zinc/74/93/77/344749377.db2.gz DRYJQXLXDXNLLQ-AWEZNQCLSA-N 1 0 242.366 3.756 20 0 BHADRO CC(C)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000141040675 372859039 /nfs/dbraw/zinc/85/90/39/372859039.db2.gz DRYJQXLXDXNLLQ-CQSZACIVSA-N 1 0 242.366 3.756 20 0 BHADRO CCC(C)(C)[NH2+]CCCCOc1ccccc1 ZINC000141266482 388675650 /nfs/dbraw/zinc/67/56/50/388675650.db2.gz WBUFABIFVWOJML-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000141271575 583552075 /nfs/dbraw/zinc/55/20/75/583552075.db2.gz YUDSUXQZQAJPCD-AWEZNQCLSA-N 1 0 235.330 3.519 20 0 BHADRO c1ccc(C[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000141367766 364629187 /nfs/dbraw/zinc/62/91/87/364629187.db2.gz KQMCUIRZCLQUOA-KRWDZBQOSA-N 1 0 237.346 3.504 20 0 BHADRO c1ccc(C[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000141367956 384553700 /nfs/dbraw/zinc/55/37/00/384553700.db2.gz KQMCUIRZCLQUOA-QGZVFWFLSA-N 1 0 237.346 3.504 20 0 BHADRO CC(C)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000141437801 343095057 /nfs/dbraw/zinc/09/50/57/343095057.db2.gz UNTMHYYPXRRHAF-HNNXBMFYSA-N 1 0 217.356 3.665 20 0 BHADRO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000141437940 372953877 /nfs/dbraw/zinc/95/38/77/372953877.db2.gz UNTMHYYPXRRHAF-OAHLLOKOSA-N 1 0 217.356 3.665 20 0 BHADRO CC(C)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000141440911 372953655 /nfs/dbraw/zinc/95/36/55/372953655.db2.gz GYFPLNGGSDFMOI-ZDUSSCGKSA-N 1 0 235.346 3.804 20 0 BHADRO CC(C)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000141441124 372954303 /nfs/dbraw/zinc/95/43/03/372954303.db2.gz GYFPLNGGSDFMOI-CYBMUJFWSA-N 1 0 235.346 3.804 20 0 BHADRO CC(C)([NH2+]CCc1ccccc1)c1ccccc1 ZINC000141468014 345846626 /nfs/dbraw/zinc/84/66/26/345846626.db2.gz SIKMFYIIWNJXTC-UHFFFAOYSA-N 1 0 239.362 3.754 20 0 BHADRO CCC[NH+](C/C=C\c1ccccc1)CCC ZINC000141481704 345702843 /nfs/dbraw/zinc/70/28/43/345702843.db2.gz CVDBTODNFIHEQA-FLIBITNWSA-N 1 0 217.356 3.822 20 0 BHADRO CCC1CC[NH+](CC2CCCCC2)CC1 ZINC000141684914 345703615 /nfs/dbraw/zinc/70/36/15/345703615.db2.gz OPAJDLDMSAHGLA-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000141688915 712283898 /nfs/dbraw/zinc/28/38/98/712283898.db2.gz XLMPERAMHZEJOO-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000141988973 345703661 /nfs/dbraw/zinc/70/36/61/345703661.db2.gz FWUZFIHIWKVHPD-MRXNPFEDSA-N 1 0 223.319 3.634 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000141989174 345703487 /nfs/dbraw/zinc/70/34/87/345703487.db2.gz FWUZFIHIWKVHPD-INIZCTEOSA-N 1 0 223.319 3.634 20 0 BHADRO CC[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000142033555 345704671 /nfs/dbraw/zinc/70/46/71/345704671.db2.gz MMLVTYIMZNAQOG-AWEZNQCLSA-N 1 0 217.356 3.666 20 0 BHADRO CC[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000142033740 345704348 /nfs/dbraw/zinc/70/43/48/345704348.db2.gz MMLVTYIMZNAQOG-CQSZACIVSA-N 1 0 217.356 3.666 20 0 BHADRO CC(C)(C)CCC[NH+]1Cc2ccccc2C1 ZINC000142114890 358567629 /nfs/dbraw/zinc/56/76/29/358567629.db2.gz FMQRXEPDFVDIRZ-UHFFFAOYSA-N 1 0 217.356 3.829 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CC(C)(C)C ZINC000142166711 345857546 /nfs/dbraw/zinc/85/75/46/345857546.db2.gz NAKLWJDKPLIJTD-LBPRGKRZSA-N 1 0 205.345 3.726 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CC(C)(C)C ZINC000142166934 345704647 /nfs/dbraw/zinc/70/46/47/345704647.db2.gz NAKLWJDKPLIJTD-GFCCVEGCSA-N 1 0 205.345 3.726 20 0 BHADRO C[NH+](C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC000142197836 343106489 /nfs/dbraw/zinc/10/64/89/343106489.db2.gz QDILZKOLLSNVKF-UHFFFAOYSA-N 1 0 230.355 3.527 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C(C)C ZINC000142334011 345705321 /nfs/dbraw/zinc/70/53/21/345705321.db2.gz MIWKUIZYLGVYHS-ZDUSSCGKSA-N 1 0 225.763 3.659 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000142474678 345705243 /nfs/dbraw/zinc/70/52/43/345705243.db2.gz GYTLFQAVWAUITP-UHFFFAOYSA-N 1 0 237.346 3.662 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000142574692 537888916 /nfs/dbraw/zinc/88/89/16/537888916.db2.gz RJXJJMKWBWUEEG-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO CCCC[N@H+](CCC)Cc1ccccc1 ZINC000142628447 345701130 /nfs/dbraw/zinc/70/11/30/345701130.db2.gz QBYAKSTXZRSAKM-UHFFFAOYSA-N 1 0 205.345 3.699 20 0 BHADRO C#CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000142748470 712343304 /nfs/dbraw/zinc/34/33/04/712343304.db2.gz YZVOBZVYKWSPNJ-KRWDZBQOSA-N 1 0 235.330 3.610 20 0 BHADRO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1ccccc1 ZINC000142879516 583661453 /nfs/dbraw/zinc/66/14/53/583661453.db2.gz FBHNTNIVDDEDBU-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO CCCC[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000143206091 712345145 /nfs/dbraw/zinc/34/51/45/712345145.db2.gz PCSJPTOKLCVWLG-UHFFFAOYSA-N 1 0 240.350 3.638 20 0 BHADRO CC(C)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000143270883 364652296 /nfs/dbraw/zinc/65/22/96/364652296.db2.gz NWEGNBKTAWAGNQ-UHFFFAOYSA-N 1 0 235.758 3.838 20 0 BHADRO CC(C)[N@H+](CC1CC1)CC1CCCCC1 ZINC000143640972 345706550 /nfs/dbraw/zinc/70/65/50/345706550.db2.gz OMQFNWLQAWEVKA-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[NH+](Cc1ccccc1Cl)C(C)C ZINC000143709223 537922473 /nfs/dbraw/zinc/92/24/73/537922473.db2.gz GKMYBMAMNMQOOY-UHFFFAOYSA-N 1 0 225.763 3.959 20 0 BHADRO CCC[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC000144176110 345707882 /nfs/dbraw/zinc/70/78/82/345707882.db2.gz JRMBWNJEAWLMSG-CYBMUJFWSA-N 1 0 205.345 3.697 20 0 BHADRO C[N@H+]1CC=C(c2cc3ccccc3s2)CC1 ZINC000144240219 345708882 /nfs/dbraw/zinc/70/88/82/345708882.db2.gz STLRSILSSLIZAE-UHFFFAOYSA-N 1 0 229.348 3.620 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1ccccc1 ZINC000144356908 345708546 /nfs/dbraw/zinc/70/85/46/345708546.db2.gz LJESLLXTFJXVBM-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO CCC[C@H](C)[N@H+](CC)Cc1ccccc1 ZINC000144357561 345709044 /nfs/dbraw/zinc/70/90/44/345709044.db2.gz JRMBWNJEAWLMSG-ZDUSSCGKSA-N 1 0 205.345 3.697 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccccc1 ZINC000144374152 364661851 /nfs/dbraw/zinc/66/18/51/364661851.db2.gz RDEJEQQGCSBSIC-UHFFFAOYSA-N 1 0 205.345 3.697 20 0 BHADRO CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000144451471 362031350 /nfs/dbraw/zinc/03/13/50/362031350.db2.gz SUGCYVLIGOMOFW-UHFFFAOYSA-N 1 0 213.324 3.682 20 0 BHADRO CCCCC[N@H+](CC)CCc1ccccc1 ZINC000144689479 343137070 /nfs/dbraw/zinc/13/70/70/343137070.db2.gz QVFBUZKJVNUIDW-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO CC[N@H+](CCc1ccccc1)CC1CCCC1 ZINC000144690369 344937764 /nfs/dbraw/zinc/93/77/64/344937764.db2.gz ALFOXHAUFNNQQC-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000144736491 345709538 /nfs/dbraw/zinc/70/95/38/345709538.db2.gz FHAKFNRZDPIIRR-CQSZACIVSA-N 1 0 203.329 3.624 20 0 BHADRO CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000144736686 345709857 /nfs/dbraw/zinc/70/98/57/345709857.db2.gz FHAKFNRZDPIIRR-AWEZNQCLSA-N 1 0 203.329 3.624 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000144737362 343137758 /nfs/dbraw/zinc/13/77/58/343137758.db2.gz YRBJNBKNGPYEEN-UHFFFAOYSA-N 1 0 219.372 3.824 20 0 BHADRO CC(C)(C)c1ccc(C[NH+]2CCCC2)cc1 ZINC000144744364 345924507 /nfs/dbraw/zinc/92/45/07/345924507.db2.gz XNNWYOTWTSPHBE-UHFFFAOYSA-N 1 0 217.356 3.580 20 0 BHADRO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000144746911 345709425 /nfs/dbraw/zinc/70/94/25/345709425.db2.gz GWMKVNWXQAYKKI-UHFFFAOYSA-N 1 0 217.356 3.578 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000144750499 191006900 /nfs/dbraw/zinc/00/69/00/191006900.db2.gz GEFLQMPEDHGZNF-TZMCWYRMSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000144750713 191054667 /nfs/dbraw/zinc/05/46/67/191054667.db2.gz GEFLQMPEDHGZNF-GXTWGEPZSA-N 1 0 209.377 3.733 20 0 BHADRO C#CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000144933446 583930150 /nfs/dbraw/zinc/93/01/50/583930150.db2.gz GTILRRNLTJEKDA-UHFFFAOYSA-N 1 0 247.769 3.543 20 0 BHADRO CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000145378822 345706158 /nfs/dbraw/zinc/70/61/58/345706158.db2.gz ICUGONYNDJWGEN-UHFFFAOYSA-N 1 0 211.736 3.575 20 0 BHADRO CCCCC[N@H+](C)Cc1cccc(C)c1 ZINC000145968368 343276303 /nfs/dbraw/zinc/27/63/03/343276303.db2.gz JDDHKEUWMQKIRR-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)CCC)cc1 ZINC000146220127 345713080 /nfs/dbraw/zinc/71/30/80/345713080.db2.gz ATOULBDRAYUQAF-CYBMUJFWSA-N 1 0 217.356 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)CCC)cc1 ZINC000146220331 345712981 /nfs/dbraw/zinc/71/29/81/345712981.db2.gz ATOULBDRAYUQAF-ZDUSSCGKSA-N 1 0 217.356 3.650 20 0 BHADRO c1cn(Cc2ccc(C3CCCC3)cc2)cn1 ZINC000146230660 490660839 /nfs/dbraw/zinc/66/08/39/490660839.db2.gz HDTJYWDBGWMROF-UHFFFAOYSA-N 1 0 226.323 3.589 20 0 BHADRO CC(C)[N@H+](C)Cc1cc2ccccc2s1 ZINC000146504920 388816854 /nfs/dbraw/zinc/81/68/54/388816854.db2.gz PXCCGMYNCLHZDF-UHFFFAOYSA-N 1 0 219.353 3.742 20 0 BHADRO CC(C)=CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000146780543 541348418 /nfs/dbraw/zinc/34/84/18/541348418.db2.gz KCTHXNNYNPHTQX-UHFFFAOYSA-N 1 0 217.356 3.820 20 0 BHADRO CCc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000146797820 541348475 /nfs/dbraw/zinc/34/84/75/541348475.db2.gz ZPVQCQDILRPOPO-UHFFFAOYSA-N 1 0 247.382 3.504 20 0 BHADRO CC(C)C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000146833061 491065759 /nfs/dbraw/zinc/06/57/59/491065759.db2.gz WIUSYXZNPIISCH-ZDUSSCGKSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000146833261 491065817 /nfs/dbraw/zinc/06/58/17/491065817.db2.gz WIUSYXZNPIISCH-CYBMUJFWSA-N 1 0 232.371 3.511 20 0 BHADRO c1c[nH]c(-c2ccccc2OC2CCCCC2)n1 ZINC000146926606 487927892 /nfs/dbraw/zinc/92/78/92/487927892.db2.gz UGBVQIJKYBAISK-UHFFFAOYSA-N 1 0 242.322 3.788 20 0 BHADRO CCSCC[N@H+](Cc1ccccc1)C(C)C ZINC000147100457 344372681 /nfs/dbraw/zinc/37/26/81/344372681.db2.gz PURDZFKGRAUENX-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000147243967 345711080 /nfs/dbraw/zinc/71/10/80/345711080.db2.gz NSZXQBYMBILDND-UHFFFAOYSA-N 1 0 205.345 3.697 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)c1ccccn1 ZINC000147344668 583456873 /nfs/dbraw/zinc/45/68/73/583456873.db2.gz HSQCPJMDOYZXGV-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)c1ccccn1 ZINC000147344842 583463376 /nfs/dbraw/zinc/46/33/76/583463376.db2.gz HSQCPJMDOYZXGV-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000147362065 384836910 /nfs/dbraw/zinc/83/69/10/384836910.db2.gz OCCSAGFJTPBRGZ-UHFFFAOYSA-N 1 0 246.379 3.650 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000147410908 488014577 /nfs/dbraw/zinc/01/45/77/488014577.db2.gz WEARONBATLCSAU-AWEZNQCLSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000147411084 488014023 /nfs/dbraw/zinc/01/40/23/488014023.db2.gz WEARONBATLCSAU-CQSZACIVSA-N 1 0 235.346 3.836 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147445853 386517214 /nfs/dbraw/zinc/51/72/14/386517214.db2.gz NWFJSIJVUUDEGX-FIXISWKDSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147446194 386515048 /nfs/dbraw/zinc/51/50/48/386515048.db2.gz NWFJSIJVUUDEGX-ZIBATOQPSA-N 1 0 235.346 3.837 20 0 BHADRO CCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000147527471 342777469 /nfs/dbraw/zinc/77/74/69/342777469.db2.gz FMFUVJDXTWSOIR-UHFFFAOYSA-N 1 0 215.340 3.576 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000147590737 384697786 /nfs/dbraw/zinc/69/77/86/384697786.db2.gz VIAIHXMGIJCJAU-CQSZACIVSA-N 1 0 221.319 3.593 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000147590945 384696584 /nfs/dbraw/zinc/69/65/84/384696584.db2.gz VIAIHXMGIJCJAU-AWEZNQCLSA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000147595520 345717577 /nfs/dbraw/zinc/71/75/77/345717577.db2.gz UYVZOXCMXNZTPP-CQSZACIVSA-N 1 0 217.356 3.617 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147599437 200707163 /nfs/dbraw/zinc/70/71/63/200707163.db2.gz DNFGFAIWEBLELA-QMTHXVAHSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147599642 323000997 /nfs/dbraw/zinc/00/09/97/323000997.db2.gz DNFGFAIWEBLELA-IINYFYTJSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000147599854 323000960 /nfs/dbraw/zinc/00/09/60/323000960.db2.gz DNFGFAIWEBLELA-YGRLFVJLSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000147600060 384848350 /nfs/dbraw/zinc/84/83/50/384848350.db2.gz DNFGFAIWEBLELA-HZMBPMFUSA-N 1 0 221.319 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccco1 ZINC000147610726 384848036 /nfs/dbraw/zinc/84/80/36/384848036.db2.gz VUZVTXWMUHGIML-IINYFYTJSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccco1 ZINC000147610928 384846991 /nfs/dbraw/zinc/84/69/91/384846991.db2.gz VUZVTXWMUHGIML-QMTHXVAHSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccco1 ZINC000147611140 384847562 /nfs/dbraw/zinc/84/75/62/384847562.db2.gz VUZVTXWMUHGIML-HZMBPMFUSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccco1 ZINC000147611357 384847990 /nfs/dbraw/zinc/84/79/90/384847990.db2.gz VUZVTXWMUHGIML-YGRLFVJLSA-N 1 0 245.297 3.757 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000147618656 345717930 /nfs/dbraw/zinc/71/79/30/345717930.db2.gz HAGRDGKXTQNSCK-CYBMUJFWSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000147618859 345717817 /nfs/dbraw/zinc/71/78/17/345717817.db2.gz HAGRDGKXTQNSCK-ZDUSSCGKSA-N 1 0 223.747 3.714 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000147649395 191105340 /nfs/dbraw/zinc/10/53/40/191105340.db2.gz LZKYEOCEQYPGPX-LRDDRELGSA-N 1 0 245.341 3.759 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000147649606 191105782 /nfs/dbraw/zinc/10/57/82/191105782.db2.gz LZKYEOCEQYPGPX-BLLLJJGKSA-N 1 0 245.341 3.759 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000147649779 191105723 /nfs/dbraw/zinc/10/57/23/191105723.db2.gz LZKYEOCEQYPGPX-WBMJQRKESA-N 1 0 245.341 3.759 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000147650000 191105590 /nfs/dbraw/zinc/10/55/90/191105590.db2.gz LZKYEOCEQYPGPX-MLGOLLRUSA-N 1 0 245.341 3.759 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000147653360 219838383 /nfs/dbraw/zinc/83/83/83/219838383.db2.gz OFUWAHLBCTUJND-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000147653762 384303524 /nfs/dbraw/zinc/30/35/24/384303524.db2.gz OFUWAHLBCTUJND-FPMFFAJLSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000147661532 205489704 /nfs/dbraw/zinc/48/97/04/205489704.db2.gz GBHHJYIFRCNDBF-QWHCGFSZSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000147661761 384487612 /nfs/dbraw/zinc/48/76/12/384487612.db2.gz GBHHJYIFRCNDBF-STQMWFEESA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000147661968 384486363 /nfs/dbraw/zinc/48/63/63/384486363.db2.gz GBHHJYIFRCNDBF-CHWSQXEVSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000147662175 384489369 /nfs/dbraw/zinc/48/93/69/384489369.db2.gz GBHHJYIFRCNDBF-OLZOCXBDSA-N 1 0 217.356 3.753 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)c1ccccc1 ZINC000147678046 134444711 /nfs/dbraw/zinc/44/47/11/134444711.db2.gz LZEOKKMYPJMMRA-DZGCQCFKSA-N 1 0 245.366 3.522 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)c1ccccc1 ZINC000147678257 384453953 /nfs/dbraw/zinc/45/39/53/384453953.db2.gz LZEOKKMYPJMMRA-ZFWWWQNUSA-N 1 0 245.366 3.522 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)c1ccccc1 ZINC000147678493 384453570 /nfs/dbraw/zinc/45/35/70/384453570.db2.gz LZEOKKMYPJMMRA-UKRRQHHQSA-N 1 0 245.366 3.522 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)c1ccccc1 ZINC000147678679 384453519 /nfs/dbraw/zinc/45/35/19/384453519.db2.gz LZEOKKMYPJMMRA-HIFRSBDPSA-N 1 0 245.366 3.522 20 0 BHADRO CC(C)C[N@H+](Cc1ccsc1)C(C)C ZINC000147701913 384852094 /nfs/dbraw/zinc/85/20/94/384852094.db2.gz JGFAYRPHHZOWCM-UHFFFAOYSA-N 1 0 211.374 3.615 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147750049 191095887 /nfs/dbraw/zinc/09/58/87/191095887.db2.gz FMVITDFSINNRPN-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000147750235 191100675 /nfs/dbraw/zinc/10/06/75/191100675.db2.gz FMVITDFSINNRPN-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000147750469 191101370 /nfs/dbraw/zinc/10/13/70/191101370.db2.gz FMVITDFSINNRPN-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000147750669 191100888 /nfs/dbraw/zinc/10/08/88/191100888.db2.gz FMVITDFSINNRPN-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000147764680 384255031 /nfs/dbraw/zinc/25/50/31/384255031.db2.gz YVZGGBLNMWHOBI-XHDPSFHLSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000147764891 384256204 /nfs/dbraw/zinc/25/62/04/384256204.db2.gz YVZGGBLNMWHOBI-IAQYHMDHSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000147765088 323037291 /nfs/dbraw/zinc/03/72/91/323037291.db2.gz YVZGGBLNMWHOBI-NHYWBVRUSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000147765260 384252042 /nfs/dbraw/zinc/25/20/42/384252042.db2.gz YVZGGBLNMWHOBI-ABAIWWIYSA-N 1 0 235.346 3.695 20 0 BHADRO C#CC[N@@H+](CC)C(c1ccccc1)c1ccccc1 ZINC000147866356 583782740 /nfs/dbraw/zinc/78/27/40/583782740.db2.gz LKSIIQAQSAABEO-UHFFFAOYSA-N 1 0 249.357 3.731 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000147892202 583788704 /nfs/dbraw/zinc/78/87/04/583788704.db2.gz BOLAUNKPIISENF-HUUCEWRRSA-N 1 0 239.362 3.968 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000147892347 583788535 /nfs/dbraw/zinc/78/85/35/583788535.db2.gz BOLAUNKPIISENF-CABCVRRESA-N 1 0 239.362 3.968 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000147892555 583788424 /nfs/dbraw/zinc/78/84/24/583788424.db2.gz BOLAUNKPIISENF-LSDHHAIUSA-N 1 0 239.362 3.968 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1 ZINC000147892756 583788694 /nfs/dbraw/zinc/78/86/94/583788694.db2.gz BOLAUNKPIISENF-GJZGRUSLSA-N 1 0 239.362 3.968 20 0 BHADRO c1ccc2c(c1)NC[C@H]2CC[NH2+]C1CCCCC1 ZINC000147944126 488073745 /nfs/dbraw/zinc/07/37/45/488073745.db2.gz PXSROLSVXQWTFS-CYBMUJFWSA-N 1 0 244.382 3.508 20 0 BHADRO c1ccc2c(c1)NC[C@@H]2CC[NH2+]C1CCCCC1 ZINC000147944335 488073665 /nfs/dbraw/zinc/07/36/65/488073665.db2.gz PXSROLSVXQWTFS-ZDUSSCGKSA-N 1 0 244.382 3.508 20 0 BHADRO c1ccc2cc(C[N@H+]3CC=CCC3)ccc2c1 ZINC000147957353 537957577 /nfs/dbraw/zinc/95/75/77/537957577.db2.gz QVKPNTPQUOMWKB-UHFFFAOYSA-N 1 0 223.319 3.602 20 0 BHADRO c1ccc(SCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000148080758 192033201 /nfs/dbraw/zinc/03/32/01/192033201.db2.gz QZXHQNIHJYXJIW-OKILXGFUSA-N 1 0 247.407 3.511 20 0 BHADRO c1ccc(SCC[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000148080975 192033235 /nfs/dbraw/zinc/03/32/35/192033235.db2.gz QZXHQNIHJYXJIW-ZIAGYGMSSA-N 1 0 247.407 3.511 20 0 BHADRO c1ccc(SCC[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000148081173 323391983 /nfs/dbraw/zinc/39/19/83/323391983.db2.gz QZXHQNIHJYXJIW-KBPBESRZSA-N 1 0 247.407 3.511 20 0 BHADRO Cc1cccc2c1CC[N@H+](Cc1cccs1)C2 ZINC000148120968 583869009 /nfs/dbraw/zinc/86/90/09/583869009.db2.gz ADMARRSHRZWCNE-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO Cc1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000148140205 583875525 /nfs/dbraw/zinc/87/55/25/583875525.db2.gz YLBLHOJXWOVCRX-UHFFFAOYSA-N 1 0 237.346 3.553 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000148165371 384874447 /nfs/dbraw/zinc/87/44/47/384874447.db2.gz UDHVKVMRIBFAFZ-YNEHKIRRSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000148165716 192168808 /nfs/dbraw/zinc/16/88/08/192168808.db2.gz UDHVKVMRIBFAFZ-RWMBFGLXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000148197775 192332803 /nfs/dbraw/zinc/33/28/03/192332803.db2.gz NBYOLNYREHXZRU-NFAWXSAZSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000148198226 192333329 /nfs/dbraw/zinc/33/33/29/192333329.db2.gz NBYOLNYREHXZRU-UMVBOHGHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000148318579 387594870 /nfs/dbraw/zinc/59/48/70/387594870.db2.gz WKJFXMRHVYHVGU-OLZOCXBDSA-N 1 0 235.371 3.821 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000148318789 387595082 /nfs/dbraw/zinc/59/50/82/387595082.db2.gz WKJFXMRHVYHVGU-STQMWFEESA-N 1 0 235.371 3.821 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCC2)c1 ZINC000148367592 387568533 /nfs/dbraw/zinc/56/85/33/387568533.db2.gz TZKSBKWQSXMPTK-GFCCVEGCSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCC2)c1 ZINC000148367749 387568688 /nfs/dbraw/zinc/56/86/88/387568688.db2.gz TZKSBKWQSXMPTK-LBPRGKRZSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000148374205 491105058 /nfs/dbraw/zinc/10/50/58/491105058.db2.gz KNJSHLXHEZGSPR-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCC2CC2)c1 ZINC000148374409 350824285 /nfs/dbraw/zinc/82/42/85/350824285.db2.gz KNJSHLXHEZGSPR-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000148415719 191175451 /nfs/dbraw/zinc/17/54/51/191175451.db2.gz PXCICZQYSWPIBW-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1C ZINC000148415938 191175425 /nfs/dbraw/zinc/17/54/25/191175425.db2.gz PXCICZQYSWPIBW-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO c1cc2cnccc2c(C[NH+]2CCCCCC2)c1 ZINC000148424571 538110707 /nfs/dbraw/zinc/11/07/07/538110707.db2.gz QHEWHJXRPVLRQJ-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)CCO1 ZINC000148426256 191178469 /nfs/dbraw/zinc/17/84/69/191178469.db2.gz OJAINMPACKHMPF-RBSFLKMASA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)CCO1 ZINC000148426475 346107641 /nfs/dbraw/zinc/10/76/41/346107641.db2.gz OJAINMPACKHMPF-KFWWJZLASA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)CCO1 ZINC000148426657 201137408 /nfs/dbraw/zinc/13/74/08/201137408.db2.gz OJAINMPACKHMPF-QLFBSQMISA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)CCO1 ZINC000148426876 346107876 /nfs/dbraw/zinc/10/78/76/346107876.db2.gz OJAINMPACKHMPF-ILXRZTDVSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000148462335 191207340 /nfs/dbraw/zinc/20/73/40/191207340.db2.gz PXCICZQYSWPIBW-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000148462553 201139019 /nfs/dbraw/zinc/13/90/19/201139019.db2.gz PXCICZQYSWPIBW-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000148494202 345719091 /nfs/dbraw/zinc/71/90/91/345719091.db2.gz KBBYTBHYRPDTEK-UHFFFAOYSA-N 1 0 239.362 3.950 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000148505052 537975265 /nfs/dbraw/zinc/97/52/65/537975265.db2.gz ZTHZQLLWZFHUNF-RBSFLKMASA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000148505244 537976010 /nfs/dbraw/zinc/97/60/10/537976010.db2.gz ZTHZQLLWZFHUNF-QLFBSQMISA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000148519669 537976769 /nfs/dbraw/zinc/97/67/69/537976769.db2.gz ZTHZQLLWZFHUNF-RRFJBIMHSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000148519847 537976711 /nfs/dbraw/zinc/97/67/11/537976711.db2.gz ZTHZQLLWZFHUNF-SOUVJXGZSA-N 1 0 247.382 3.603 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000148689165 180880714 /nfs/dbraw/zinc/88/07/14/180880714.db2.gz SIGXVXRLDWZTRE-SNVBAGLBSA-N 1 0 247.260 3.589 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCCc2occc21 ZINC000148689396 384900693 /nfs/dbraw/zinc/90/06/93/384900693.db2.gz SIGXVXRLDWZTRE-JTQLQIEISA-N 1 0 247.260 3.589 20 0 BHADRO CCCC[C@H](NCc1ccon1)c1ccccc1 ZINC000148719251 584035659 /nfs/dbraw/zinc/03/56/59/584035659.db2.gz IDKMICJNNGEMMX-HNNXBMFYSA-N 1 0 244.338 3.696 20 0 BHADRO CCCC[C@@H](NCc1ccon1)c1ccccc1 ZINC000148719442 584035172 /nfs/dbraw/zinc/03/51/72/584035172.db2.gz IDKMICJNNGEMMX-OAHLLOKOSA-N 1 0 244.338 3.696 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC000148763056 346432619 /nfs/dbraw/zinc/43/26/19/346432619.db2.gz ZSYQENFJSNIUDA-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC000148763275 346432566 /nfs/dbraw/zinc/43/25/66/346432566.db2.gz ZSYQENFJSNIUDA-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO CCCC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000148766868 584042868 /nfs/dbraw/zinc/04/28/68/584042868.db2.gz HHGYHEITPUUCPJ-UHFFFAOYSA-N 1 0 247.382 3.680 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCC(F)(F)F)o1 ZINC000148807233 387632742 /nfs/dbraw/zinc/63/27/42/387632742.db2.gz QTNXZPSDDYYPNA-SNVBAGLBSA-N 1 0 249.276 3.971 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCC(F)(F)F)o1 ZINC000148807409 386176871 /nfs/dbraw/zinc/17/68/71/386176871.db2.gz QTNXZPSDDYYPNA-JTQLQIEISA-N 1 0 249.276 3.971 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C)cc1 ZINC000148867070 345719933 /nfs/dbraw/zinc/71/99/33/345719933.db2.gz GOWMWOZSEQALOZ-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000148974822 343417031 /nfs/dbraw/zinc/41/70/31/343417031.db2.gz VUIBYVCWGBCRIP-INIZCTEOSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000148975013 342792820 /nfs/dbraw/zinc/79/28/20/342792820.db2.gz VUIBYVCWGBCRIP-MRXNPFEDSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)cs1 ZINC000148986349 538042877 /nfs/dbraw/zinc/04/28/77/538042877.db2.gz VNDHBCHIARWKNL-NXEZZACHSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)cs1 ZINC000148986542 538043004 /nfs/dbraw/zinc/04/30/04/538043004.db2.gz VNDHBCHIARWKNL-ZJUUUORDSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)cs1 ZINC000148986698 538042129 /nfs/dbraw/zinc/04/21/29/538042129.db2.gz VNDHBCHIARWKNL-VHSXEESVSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)cs1 ZINC000148986913 538043376 /nfs/dbraw/zinc/04/33/76/538043376.db2.gz VNDHBCHIARWKNL-UWVGGRQHSA-N 1 0 240.416 3.784 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000149021698 170141995 /nfs/dbraw/zinc/14/19/95/170141995.db2.gz IFLSPNIHUNBMJI-LBPRGKRZSA-N 1 0 242.322 3.544 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000149021885 170159250 /nfs/dbraw/zinc/15/92/50/170159250.db2.gz IFLSPNIHUNBMJI-GFCCVEGCSA-N 1 0 242.322 3.544 20 0 BHADRO CCC[NH+](CCC)C[C@@H](C)c1ccccc1 ZINC000149071889 345715604 /nfs/dbraw/zinc/71/56/04/345715604.db2.gz OYWUSJUYKAULPP-CQSZACIVSA-N 1 0 219.372 3.912 20 0 BHADRO CCC[NH+](CCC)C[C@H](C)c1ccccc1 ZINC000149072111 345715587 /nfs/dbraw/zinc/71/55/87/345715587.db2.gz OYWUSJUYKAULPP-AWEZNQCLSA-N 1 0 219.372 3.912 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000149130944 541412632 /nfs/dbraw/zinc/41/26/32/541412632.db2.gz OMASEXGZZOXRQA-CQSZACIVSA-N 1 0 233.355 3.547 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000149131131 541412612 /nfs/dbraw/zinc/41/26/12/541412612.db2.gz OMASEXGZZOXRQA-AWEZNQCLSA-N 1 0 233.355 3.547 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000149150495 387648782 /nfs/dbraw/zinc/64/87/82/387648782.db2.gz JUNHMCAPZNJLQP-YNEHKIRRSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000149150904 387648730 /nfs/dbraw/zinc/64/87/30/387648730.db2.gz JUNHMCAPZNJLQP-RWMBFGLXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)C1 ZINC000149181941 192891063 /nfs/dbraw/zinc/89/10/63/192891063.db2.gz CIASOBGLYICZJU-MCIONIFRSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000149246887 387648604 /nfs/dbraw/zinc/64/86/04/387648604.db2.gz PORQHZGDSJQROK-CYBMUJFWSA-N 1 0 217.356 3.897 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCCC2)c1 ZINC000149247093 387649901 /nfs/dbraw/zinc/64/99/01/387649901.db2.gz PORQHZGDSJQROK-ZDUSSCGKSA-N 1 0 217.356 3.897 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000149274396 387648541 /nfs/dbraw/zinc/64/85/41/387648541.db2.gz BDXSAUMYBJBSJA-OLZOCXBDSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000149274593 387649750 /nfs/dbraw/zinc/64/97/50/387649750.db2.gz BDXSAUMYBJBSJA-STQMWFEESA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000149274698 384926069 /nfs/dbraw/zinc/92/60/69/384926069.db2.gz BDXSAUMYBJBSJA-CHWSQXEVSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000149274878 387648598 /nfs/dbraw/zinc/64/85/98/387648598.db2.gz BDXSAUMYBJBSJA-QWHCGFSZSA-N 1 0 205.345 3.753 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccccn1 ZINC000149280016 192890679 /nfs/dbraw/zinc/89/06/79/192890679.db2.gz UQUNLMZVUYWOQN-RDBSUJKOSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000149280247 387648921 /nfs/dbraw/zinc/64/89/21/387648921.db2.gz UQUNLMZVUYWOQN-IHRRRGAJSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccccn1 ZINC000149280465 387650030 /nfs/dbraw/zinc/65/00/30/387650030.db2.gz UQUNLMZVUYWOQN-HZSPNIEDSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000149280687 387649354 /nfs/dbraw/zinc/64/93/54/387649354.db2.gz UQUNLMZVUYWOQN-MELADBBJSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccncc1 ZINC000149281557 192025715 /nfs/dbraw/zinc/02/57/15/192025715.db2.gz NWEWFEVWKFSJFB-IPYPFGDCSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000149281782 387649064 /nfs/dbraw/zinc/64/90/64/387649064.db2.gz NWEWFEVWKFSJFB-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccncc1 ZINC000149281995 387649181 /nfs/dbraw/zinc/64/91/81/387649181.db2.gz NWEWFEVWKFSJFB-VNHYZAJKSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000149282206 387649975 /nfs/dbraw/zinc/64/99/75/387649975.db2.gz NWEWFEVWKFSJFB-KCQAQPDRSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCCCC1)CC2 ZINC000149292499 387649679 /nfs/dbraw/zinc/64/96/79/387649679.db2.gz XUZWGEVNCLXDFA-MRXNPFEDSA-N 1 0 229.367 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000149292695 192890021 /nfs/dbraw/zinc/89/00/21/192890021.db2.gz XUZWGEVNCLXDFA-INIZCTEOSA-N 1 0 229.367 3.905 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000149320270 384928419 /nfs/dbraw/zinc/92/84/19/384928419.db2.gz UCRHDWIRCSBFRB-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000149320488 387650376 /nfs/dbraw/zinc/65/03/76/387650376.db2.gz UCRHDWIRCSBFRB-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000149320675 387650276 /nfs/dbraw/zinc/65/02/76/387650276.db2.gz UCRHDWIRCSBFRB-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000149320872 192889842 /nfs/dbraw/zinc/88/98/42/192889842.db2.gz UCRHDWIRCSBFRB-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccoc1 ZINC000149324711 343960008 /nfs/dbraw/zinc/96/00/08/343960008.db2.gz VIRDGUDPTRJJAC-WCQYABFASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccoc1 ZINC000149324931 343959871 /nfs/dbraw/zinc/95/98/71/343959871.db2.gz VIRDGUDPTRJJAC-DGCLKSJQSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccoc1 ZINC000149325130 343959922 /nfs/dbraw/zinc/95/99/22/343959922.db2.gz VIRDGUDPTRJJAC-AAEUAGOBSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccoc1 ZINC000149325330 343959688 /nfs/dbraw/zinc/95/96/88/343959688.db2.gz VIRDGUDPTRJJAC-YPMHNXCESA-N 1 0 221.344 3.899 20 0 BHADRO CCC[N@H+](Cc1ccccc1)C1CCCC1 ZINC000149332251 346732894 /nfs/dbraw/zinc/73/28/94/346732894.db2.gz BOMPMPMIJIFTDF-UHFFFAOYSA-N 1 0 217.356 3.841 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000149336726 387651177 /nfs/dbraw/zinc/65/11/77/387651177.db2.gz PMMMAHKYYLCOPB-OCCSQVGLSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000149336933 387652657 /nfs/dbraw/zinc/65/26/57/387652657.db2.gz PMMMAHKYYLCOPB-JSGCOSHPSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000149337118 387651862 /nfs/dbraw/zinc/65/18/62/387651862.db2.gz PMMMAHKYYLCOPB-TZMCWYRMSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000149337318 387652773 /nfs/dbraw/zinc/65/27/73/387652773.db2.gz PMMMAHKYYLCOPB-GXTWGEPZSA-N 1 0 235.371 3.627 20 0 BHADRO c1c2ccccc2sc1C[NH+]1CCCCC1 ZINC000149341251 345716042 /nfs/dbraw/zinc/71/60/42/345716042.db2.gz SYJWOYGCMZRQRL-UHFFFAOYSA-N 1 0 231.364 3.887 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149347799 387652126 /nfs/dbraw/zinc/65/21/26/387652126.db2.gz HISGNQFEXBHUFJ-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149347983 387652665 /nfs/dbraw/zinc/65/26/65/387652665.db2.gz HISGNQFEXBHUFJ-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149348131 387652652 /nfs/dbraw/zinc/65/26/52/387652652.db2.gz HISGNQFEXBHUFJ-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149348357 387650811 /nfs/dbraw/zinc/65/08/11/387650811.db2.gz HISGNQFEXBHUFJ-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1(C)CC1 ZINC000149350655 638345611 /nfs/dbraw/zinc/34/56/11/638345611.db2.gz RDKLTADWLKAZJU-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1(C)CC1 ZINC000149350788 638345096 /nfs/dbraw/zinc/34/50/96/638345096.db2.gz RDKLTADWLKAZJU-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C1(C)CC1 ZINC000149350916 636988150 /nfs/dbraw/zinc/98/81/50/636988150.db2.gz RDKLTADWLKAZJU-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C1(C)CC1 ZINC000149351130 638345622 /nfs/dbraw/zinc/34/56/22/638345622.db2.gz RDKLTADWLKAZJU-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000149365144 192889822 /nfs/dbraw/zinc/88/98/22/192889822.db2.gz VGQPIXROOYYOOP-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000149365344 387652456 /nfs/dbraw/zinc/65/24/56/387652456.db2.gz VGQPIXROOYYOOP-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1cccnc1 ZINC000149373197 384479870 /nfs/dbraw/zinc/47/98/70/384479870.db2.gz ZPKBEDICVCTFGP-IPYPFGDCSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1cccnc1 ZINC000149373435 384480204 /nfs/dbraw/zinc/48/02/04/384480204.db2.gz ZPKBEDICVCTFGP-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1cccnc1 ZINC000149373673 384480730 /nfs/dbraw/zinc/48/07/30/384480730.db2.gz ZPKBEDICVCTFGP-VNHYZAJKSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1cccnc1 ZINC000149373860 384480053 /nfs/dbraw/zinc/48/00/53/384480053.db2.gz ZPKBEDICVCTFGP-KCQAQPDRSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[N@H+](C1CCCC1)C1CCCCC1 ZINC000149378391 345716258 /nfs/dbraw/zinc/71/62/58/345716258.db2.gz INGAHFGOVGPKEW-UHFFFAOYSA-N 1 0 209.377 3.972 20 0 BHADRO CC[N@H+](CCC(C)(C)C)Cc1ccccc1 ZINC000149390552 538077005 /nfs/dbraw/zinc/07/70/05/538077005.db2.gz PCBISCWHUZJGHQ-UHFFFAOYSA-N 1 0 219.372 3.945 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccco1)CC2 ZINC000149398648 538077462 /nfs/dbraw/zinc/07/74/62/538077462.db2.gz IQYNCGYMHXANNT-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccco1)CC2 ZINC000149398703 538078468 /nfs/dbraw/zinc/07/84/68/538078468.db2.gz IQYNCGYMHXANNT-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccco1)CC2 ZINC000149398925 538078352 /nfs/dbraw/zinc/07/83/52/538078352.db2.gz IQYNCGYMHXANNT-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccco1)CC2 ZINC000149399154 538078360 /nfs/dbraw/zinc/07/83/60/538078360.db2.gz IQYNCGYMHXANNT-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO CCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000149401331 345716190 /nfs/dbraw/zinc/71/61/90/345716190.db2.gz LECNSWFEZAQXBL-UHFFFAOYSA-N 1 0 219.372 3.945 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000149411383 387651995 /nfs/dbraw/zinc/65/19/95/387651995.db2.gz IVYFMMACIYZHJK-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000149411625 387651351 /nfs/dbraw/zinc/65/13/51/387651351.db2.gz IVYFMMACIYZHJK-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000149411826 387650932 /nfs/dbraw/zinc/65/09/32/387650932.db2.gz IVYFMMACIYZHJK-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000149412027 192025955 /nfs/dbraw/zinc/02/59/55/192025955.db2.gz IVYFMMACIYZHJK-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000149412602 387651269 /nfs/dbraw/zinc/65/12/69/387651269.db2.gz VGQPIXROOYYOOP-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000149412816 192890607 /nfs/dbraw/zinc/89/06/07/192890607.db2.gz VGQPIXROOYYOOP-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)C2CCCCC2)CCO1 ZINC000149425228 387650983 /nfs/dbraw/zinc/65/09/83/387650983.db2.gz KFJGYCCQTDRPDF-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCCCC2)CCO1 ZINC000149425598 387651142 /nfs/dbraw/zinc/65/11/42/387651142.db2.gz KFJGYCCQTDRPDF-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc(CC[NH+](C(C)C)C(C)C)cc1 ZINC000149430196 642500415 /nfs/dbraw/zinc/50/04/15/642500415.db2.gz CIZZHPPDXOYQKW-UHFFFAOYSA-N 1 0 219.372 3.656 20 0 BHADRO Cc1cccc(C[NH+](C(C)C)C(C)C)c1 ZINC000149449167 583598241 /nfs/dbraw/zinc/59/82/41/583598241.db2.gz NECPPKBKCHADSX-UHFFFAOYSA-N 1 0 205.345 3.614 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000149459028 583599193 /nfs/dbraw/zinc/59/91/93/583599193.db2.gz LXRXDZXLQRHZQU-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000149459241 583599136 /nfs/dbraw/zinc/59/91/36/583599136.db2.gz LXRXDZXLQRHZQU-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149466008 535105127 /nfs/dbraw/zinc/10/51/27/535105127.db2.gz MEZHUXWWQPHFQT-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149466243 384478336 /nfs/dbraw/zinc/47/83/36/384478336.db2.gz MEZHUXWWQPHFQT-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000149470511 387652069 /nfs/dbraw/zinc/65/20/69/387652069.db2.gz HWQOBFGYAXRTSO-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC2CCC2)c1 ZINC000149470735 192892623 /nfs/dbraw/zinc/89/26/23/192892623.db2.gz HWQOBFGYAXRTSO-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000149476075 398193264 /nfs/dbraw/zinc/19/32/64/398193264.db2.gz SUDCECRMCHTSBY-CYBMUJFWSA-N 1 0 223.385 3.616 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000149478112 583600741 /nfs/dbraw/zinc/60/07/41/583600741.db2.gz LXRXDZXLQRHZQU-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000149478318 583600699 /nfs/dbraw/zinc/60/06/99/583600699.db2.gz LXRXDZXLQRHZQU-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000149478963 642516172 /nfs/dbraw/zinc/51/61/72/642516172.db2.gz HRLHUSSBUOUYFB-LBPRGKRZSA-N 1 0 225.401 3.705 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000149479188 322953486 /nfs/dbraw/zinc/95/34/86/322953486.db2.gz HRLHUSSBUOUYFB-GFCCVEGCSA-N 1 0 225.401 3.705 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)Cc1cccs1 ZINC000149479743 192892258 /nfs/dbraw/zinc/89/22/58/192892258.db2.gz DQTIMQRHCMKIRE-LBPRGKRZSA-N 1 0 225.401 3.705 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)Cc1cccs1 ZINC000149479947 387652588 /nfs/dbraw/zinc/65/25/88/387652588.db2.gz DQTIMQRHCMKIRE-GFCCVEGCSA-N 1 0 225.401 3.705 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1C ZINC000149491416 387652775 /nfs/dbraw/zinc/65/27/75/387652775.db2.gz IJZNOQGYQDKOJJ-HIFRSBDPSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1C ZINC000149491596 387917807 /nfs/dbraw/zinc/91/78/07/387917807.db2.gz IJZNOQGYQDKOJJ-ZFWWWQNUSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1C ZINC000149491763 387652798 /nfs/dbraw/zinc/65/27/98/387652798.db2.gz IJZNOQGYQDKOJJ-UKRRQHHQSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1C ZINC000149491967 387652662 /nfs/dbraw/zinc/65/26/62/387652662.db2.gz IJZNOQGYQDKOJJ-DZGCQCFKSA-N 1 0 249.423 3.850 20 0 BHADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000149493446 322953807 /nfs/dbraw/zinc/95/38/07/322953807.db2.gz UGZJDVXOVALZQF-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC1CCC1 ZINC000149493672 322953864 /nfs/dbraw/zinc/95/38/64/322953864.db2.gz UGZJDVXOVALZQF-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149498041 384249375 /nfs/dbraw/zinc/24/93/75/384249375.db2.gz OZXYJEPSXCIMNZ-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149498231 322953913 /nfs/dbraw/zinc/95/39/13/322953913.db2.gz OZXYJEPSXCIMNZ-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000149516193 538088502 /nfs/dbraw/zinc/08/85/02/538088502.db2.gz NKGUMJQLWJLAIF-MLGOLLRUSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]43)cc2[nH]1 ZINC000149518362 345716285 /nfs/dbraw/zinc/71/62/85/345716285.db2.gz BWXYUWYQKUMZHK-GDBMZVCRSA-N 1 0 240.350 3.542 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CCO1 ZINC000149549542 384934760 /nfs/dbraw/zinc/93/47/60/384934760.db2.gz IFMSUGYGCPKUFR-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)CCO1 ZINC000149549957 398232024 /nfs/dbraw/zinc/23/20/24/398232024.db2.gz IFMSUGYGCPKUFR-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO c1cc2cccc(C[N@@H+]3CC[C@H]4CCC[C@H]43)c2[nH]1 ZINC000149551208 346123645 /nfs/dbraw/zinc/12/36/45/346123645.db2.gz FZTPNXSQQXWSAQ-IUODEOHRSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CC[C@H]3CCC[C@H]32)[nH]1 ZINC000149553609 360619179 /nfs/dbraw/zinc/61/91/79/360619179.db2.gz HSEPSFMYZPBADR-MLGOLLRUSA-N 1 0 240.350 3.542 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)cn1 ZINC000149595610 134450113 /nfs/dbraw/zinc/45/01/13/134450113.db2.gz STVWWZFNBCNBAP-TZMCWYRMSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)cn1 ZINC000149595831 384483213 /nfs/dbraw/zinc/48/32/13/384483213.db2.gz STVWWZFNBCNBAP-GXTWGEPZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@H]2CCCC(C)(C)C2)cn1 ZINC000149596062 384483478 /nfs/dbraw/zinc/48/34/78/384483478.db2.gz STVWWZFNBCNBAP-OCCSQVGLSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCCC(C)(C)C2)cn1 ZINC000149596281 134450234 /nfs/dbraw/zinc/45/02/34/134450234.db2.gz STVWWZFNBCNBAP-JSGCOSHPSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000149597035 387657398 /nfs/dbraw/zinc/65/73/98/387657398.db2.gz FXUOLLUSIWFIJZ-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000149597171 200710148 /nfs/dbraw/zinc/71/01/48/200710148.db2.gz FXUOLLUSIWFIJZ-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](CC[NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000149597313 200836890 /nfs/dbraw/zinc/83/68/90/200836890.db2.gz FXUOLLUSIWFIJZ-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](CC[NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000149597489 387657453 /nfs/dbraw/zinc/65/74/53/387657453.db2.gz FXUOLLUSIWFIJZ-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000149607386 384483401 /nfs/dbraw/zinc/48/34/01/384483401.db2.gz MDLBSIORKGKQOJ-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000149607582 384482079 /nfs/dbraw/zinc/48/20/79/384482079.db2.gz MDLBSIORKGKQOJ-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO COCCCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000149611023 174203685 /nfs/dbraw/zinc/20/36/85/174203685.db2.gz KEMGBHHHHKSVEO-CJNGLKHVSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000149611214 174203427 /nfs/dbraw/zinc/20/34/27/174203427.db2.gz KEMGBHHHHKSVEO-BBRMVZONSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000149611392 174202556 /nfs/dbraw/zinc/20/25/56/174202556.db2.gz KEMGBHHHHKSVEO-CZUORRHYSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000149611581 174202004 /nfs/dbraw/zinc/20/20/04/174202004.db2.gz KEMGBHHHHKSVEO-XJKSGUPXSA-N 1 0 247.382 3.641 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)c(C)c1 ZINC000149612008 387659064 /nfs/dbraw/zinc/65/90/64/387659064.db2.gz SVNBYFSRELAVIB-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)c(C)c1 ZINC000149612198 387658651 /nfs/dbraw/zinc/65/86/51/387658651.db2.gz SVNBYFSRELAVIB-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)c(C)c1 ZINC000149612417 387658791 /nfs/dbraw/zinc/65/87/91/387658791.db2.gz SVNBYFSRELAVIB-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)c(C)c1 ZINC000149612607 387658568 /nfs/dbraw/zinc/65/85/68/387658568.db2.gz SVNBYFSRELAVIB-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cn1 ZINC000149619354 583629555 /nfs/dbraw/zinc/62/95/55/583629555.db2.gz KJIVQQNUOTUVNE-SWLSCSKDSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)cn1 ZINC000149619491 583629487 /nfs/dbraw/zinc/62/94/87/583629487.db2.gz KJIVQQNUOTUVNE-WFASDCNBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cn1 ZINC000149619618 583629616 /nfs/dbraw/zinc/62/96/16/583629616.db2.gz KJIVQQNUOTUVNE-IUODEOHRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cn1 ZINC000149619745 583629468 /nfs/dbraw/zinc/62/94/68/583629468.db2.gz KJIVQQNUOTUVNE-DOMZBBRYSA-N 1 0 246.398 3.694 20 0 BHADRO CCOC1CCC([NH2+]C2CCCCCC2)CC1 ZINC000149634934 487558984 /nfs/dbraw/zinc/55/89/84/487558984.db2.gz WTFYEINYMUTVMG-UHFFFAOYSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C)cc1 ZINC000149638520 384481612 /nfs/dbraw/zinc/48/16/12/384481612.db2.gz LWJJWUMRPCTNMP-GJZGRUSLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C)cc1 ZINC000149638744 384483351 /nfs/dbraw/zinc/48/33/51/384483351.db2.gz LWJJWUMRPCTNMP-LSDHHAIUSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(C)cc1 ZINC000149638966 384483304 /nfs/dbraw/zinc/48/33/04/384483304.db2.gz LWJJWUMRPCTNMP-CABCVRRESA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(C)cc1 ZINC000149639164 384482382 /nfs/dbraw/zinc/48/23/82/384482382.db2.gz LWJJWUMRPCTNMP-HUUCEWRRSA-N 1 0 249.423 3.931 20 0 BHADRO CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149692377 387666446 /nfs/dbraw/zinc/66/64/46/387666446.db2.gz NMAWQWYGDNZYDE-UHFFFAOYSA-N 1 0 211.374 3.545 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149693397 387665883 /nfs/dbraw/zinc/66/58/83/387665883.db2.gz FBJUBAKIGYUQLM-UHFFFAOYSA-N 1 0 225.401 3.791 20 0 BHADRO CC(C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149696122 191113244 /nfs/dbraw/zinc/11/32/44/191113244.db2.gz ZWQKREMVHIJJGE-UHFFFAOYSA-N 1 0 211.374 3.544 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149696875 387664641 /nfs/dbraw/zinc/66/46/41/387664641.db2.gz IOUKIYKTMYJBBQ-SNVBAGLBSA-N 1 0 225.401 3.934 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149697104 387665689 /nfs/dbraw/zinc/66/56/89/387665689.db2.gz IOUKIYKTMYJBBQ-JTQLQIEISA-N 1 0 225.401 3.934 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C1CC1 ZINC000149711064 192898861 /nfs/dbraw/zinc/89/88/61/192898861.db2.gz KVCWWLLSPXLFIZ-JTQLQIEISA-N 1 0 237.412 3.934 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C1CC1 ZINC000149711284 387666126 /nfs/dbraw/zinc/66/61/26/387666126.db2.gz KVCWWLLSPXLFIZ-SNVBAGLBSA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CC2CC2)s1 ZINC000149720284 192028660 /nfs/dbraw/zinc/02/86/60/192028660.db2.gz MNUSJRHPPIKLTA-UHFFFAOYSA-N 1 0 223.385 3.545 20 0 BHADRO CCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000149727195 347502289 /nfs/dbraw/zinc/50/22/89/347502289.db2.gz VHVTWMCXWDKDTP-UHFFFAOYSA-N 1 0 211.736 3.572 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000149734620 387667847 /nfs/dbraw/zinc/66/78/47/387667847.db2.gz XYTADKSFOKXWSK-GJZGRUSLSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000149734730 192900716 /nfs/dbraw/zinc/90/07/16/192900716.db2.gz XYTADKSFOKXWSK-LSDHHAIUSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000149734843 192029336 /nfs/dbraw/zinc/02/93/36/192029336.db2.gz XYTADKSFOKXWSK-CABCVRRESA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000149734987 387668524 /nfs/dbraw/zinc/66/85/24/387668524.db2.gz XYTADKSFOKXWSK-HUUCEWRRSA-N 1 0 249.423 3.869 20 0 BHADRO c1ccc([C@H]([NH2+]C[C@@H]2CCCS2)C2CC2)cc1 ZINC000149741382 384483109 /nfs/dbraw/zinc/48/31/09/384483109.db2.gz JMTAJFQLNXINGP-GJZGRUSLSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+]C[C@@H]2CCCS2)C2CC2)cc1 ZINC000149741593 384483285 /nfs/dbraw/zinc/48/32/85/384483285.db2.gz JMTAJFQLNXINGP-LSDHHAIUSA-N 1 0 247.407 3.623 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(O)c1)C1CCCCCC1 ZINC000149741732 384617982 /nfs/dbraw/zinc/61/79/82/384617982.db2.gz OSZTUERKZMJVOG-ZDUSSCGKSA-N 1 0 247.382 3.841 20 0 BHADRO c1ccc([C@H]([NH2+]C[C@H]2CCCS2)C2CC2)cc1 ZINC000149741791 384483683 /nfs/dbraw/zinc/48/36/83/384483683.db2.gz JMTAJFQLNXINGP-CABCVRRESA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+]C[C@H]2CCCS2)C2CC2)cc1 ZINC000149741991 384481700 /nfs/dbraw/zinc/48/17/00/384481700.db2.gz JMTAJFQLNXINGP-HUUCEWRRSA-N 1 0 247.407 3.623 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000149756830 387671162 /nfs/dbraw/zinc/67/11/62/387671162.db2.gz TUVLQBMSFODFKB-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000149757052 387670090 /nfs/dbraw/zinc/67/00/90/387670090.db2.gz TUVLQBMSFODFKB-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000149757293 387670755 /nfs/dbraw/zinc/67/07/55/387670755.db2.gz TUVLQBMSFODFKB-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000149757500 387670041 /nfs/dbraw/zinc/67/00/41/387670041.db2.gz TUVLQBMSFODFKB-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CCCCCC1 ZINC000149760351 639118141 /nfs/dbraw/zinc/11/81/41/639118141.db2.gz YCTBBMFGNSPDOW-ZFWWWQNUSA-N 1 0 237.387 3.628 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC=CO1)C1CCCCCC1 ZINC000149760523 639117945 /nfs/dbraw/zinc/11/79/45/639117945.db2.gz YCTBBMFGNSPDOW-DZGCQCFKSA-N 1 0 237.387 3.628 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C2CCC2)s1 ZINC000149781712 387673599 /nfs/dbraw/zinc/67/35/99/387673599.db2.gz HYHAFSNZPXZPEY-UHFFFAOYSA-N 1 0 223.385 3.688 20 0 BHADRO c1cc(C[NH2+]C[C@@H]2CCCS2)cc(C2CC2)c1 ZINC000149791008 384483523 /nfs/dbraw/zinc/48/35/23/384483523.db2.gz XAMLYIMGEDDNTO-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C[NH2+]C[C@H]2CCCS2)cc(C2CC2)c1 ZINC000149791164 384482771 /nfs/dbraw/zinc/48/27/71/384482771.db2.gz XAMLYIMGEDDNTO-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CCC2CC2)s1 ZINC000149798460 192901860 /nfs/dbraw/zinc/90/18/60/192901860.db2.gz LSAWILMQECNOHC-UHFFFAOYSA-N 1 0 237.412 3.935 20 0 BHADRO Cc1ccc(CNc2ccc(C)nc2)c(C)c1 ZINC000149817096 384485564 /nfs/dbraw/zinc/48/55/64/384485564.db2.gz BTASPLJZAZUXKK-UHFFFAOYSA-N 1 0 226.323 3.619 20 0 BHADRO Cc1cc(C)c(CNc2ccc(C)nc2)c(C)c1 ZINC000149817321 384485705 /nfs/dbraw/zinc/48/57/05/384485705.db2.gz SHEWMEGWCZXZLV-UHFFFAOYSA-N 1 0 240.350 3.927 20 0 BHADRO C[C@H]([NH2+]Cc1cccnc1)C1CCCCCC1 ZINC000149862960 384485624 /nfs/dbraw/zinc/48/56/24/384485624.db2.gz RHWUEWPUDNNRGX-ZDUSSCGKSA-N 1 0 232.371 3.530 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCCCCC1 ZINC000149879319 322976187 /nfs/dbraw/zinc/97/61/87/322976187.db2.gz FUUOVBLVFUXWTK-VNHYZAJKSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CCCCCC1 ZINC000149879767 384920865 /nfs/dbraw/zinc/92/08/65/384920865.db2.gz FUUOVBLVFUXWTK-IPYPFGDCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCOCC1)C1CCCCCC1 ZINC000149910402 385005787 /nfs/dbraw/zinc/00/57/87/385005787.db2.gz NJBXODADXSBZDG-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCOCC1)C1CCCCCC1 ZINC000149910598 385004269 /nfs/dbraw/zinc/00/42/69/385004269.db2.gz NJBXODADXSBZDG-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(O)c1)C1CCCCCC1 ZINC000149944606 385064854 /nfs/dbraw/zinc/06/48/54/385064854.db2.gz OSZTUERKZMJVOG-CYBMUJFWSA-N 1 0 247.382 3.841 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CCCCCC1 ZINC000149963325 639211932 /nfs/dbraw/zinc/21/19/32/639211932.db2.gz YCTBBMFGNSPDOW-HIFRSBDPSA-N 1 0 237.387 3.628 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CCCCCC1 ZINC000149963556 639214041 /nfs/dbraw/zinc/21/40/41/639214041.db2.gz YCTBBMFGNSPDOW-UKRRQHHQSA-N 1 0 237.387 3.628 20 0 BHADRO FC(F)c1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000150047348 384489655 /nfs/dbraw/zinc/48/96/55/384489655.db2.gz SISIUTULOXWQEJ-UHFFFAOYSA-N 1 0 237.249 3.507 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000150049101 345717798 /nfs/dbraw/zinc/71/77/98/345717798.db2.gz ZWRKFKMGACQQKE-LLVKDONJSA-N 1 0 231.364 3.743 20 0 BHADRO FC(F)c1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000150049783 387697346 /nfs/dbraw/zinc/69/73/46/387697346.db2.gz RWTZQLFUUXSXIP-UHFFFAOYSA-N 1 0 247.288 3.914 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000150054652 345717570 /nfs/dbraw/zinc/71/75/70/345717570.db2.gz YWYUHKHFAFKINH-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@@H]([NH2+]Cc1cccnc1)C1CCCCCC1 ZINC000150064367 384484886 /nfs/dbraw/zinc/48/48/86/384484886.db2.gz RHWUEWPUDNNRGX-CYBMUJFWSA-N 1 0 232.371 3.530 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000150066236 344426610 /nfs/dbraw/zinc/42/66/10/344426610.db2.gz JEKNPVABAMYAJE-GFCCVEGCSA-N 1 0 217.356 3.535 20 0 BHADRO CC1(C)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000150074308 346167415 /nfs/dbraw/zinc/16/74/15/346167415.db2.gz BXZBJVZVEYABDT-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCCCCC1 ZINC000150080307 385218641 /nfs/dbraw/zinc/21/86/41/385218641.db2.gz FUUOVBLVFUXWTK-UMVBOHGHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CCCCCC1 ZINC000150080684 322981125 /nfs/dbraw/zinc/98/11/25/322981125.db2.gz FUUOVBLVFUXWTK-NFAWXSAZSA-N 1 0 239.403 3.502 20 0 BHADRO FC(F)c1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000150082823 385228463 /nfs/dbraw/zinc/22/84/63/385228463.db2.gz CDUSMCOEAJMTKF-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCCCCC1 ZINC000150110578 385262272 /nfs/dbraw/zinc/26/22/72/385262272.db2.gz NJBXODADXSBZDG-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCOCC1)C1CCCCCC1 ZINC000150110751 385273392 /nfs/dbraw/zinc/27/33/92/385273392.db2.gz NJBXODADXSBZDG-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCc1ccncc1)C1CCCCCC1 ZINC000150139571 322982025 /nfs/dbraw/zinc/98/20/25/322982025.db2.gz AGUZJRWLSSYQGS-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150145133 192088307 /nfs/dbraw/zinc/08/83/07/192088307.db2.gz PNDZVTKQVVRGCS-MFKMUULPSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150145365 192088109 /nfs/dbraw/zinc/08/81/09/192088109.db2.gz PNDZVTKQVVRGCS-GWCFXTLKSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150145579 387705015 /nfs/dbraw/zinc/70/50/15/387705015.db2.gz PNDZVTKQVVRGCS-ZWNOBZJWSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150145802 387705515 /nfs/dbraw/zinc/70/55/15/387705515.db2.gz PNDZVTKQVVRGCS-GXFFZTMASA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCCC1 ZINC000150150362 322982221 /nfs/dbraw/zinc/98/22/21/322982221.db2.gz PDVOPQZFKIAEKH-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCO1)C1CCCCCC1 ZINC000150150550 383859058 /nfs/dbraw/zinc/85/90/58/383859058.db2.gz PDVOPQZFKIAEKH-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCc1ccccn1)C1CCCCCC1 ZINC000150150951 322982441 /nfs/dbraw/zinc/98/24/41/322982441.db2.gz QHCZOABPARPXFZ-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150152504 387705505 /nfs/dbraw/zinc/70/55/05/387705505.db2.gz XJZDFSXVBMQXTJ-JTQLQIEISA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150152713 387704503 /nfs/dbraw/zinc/70/45/03/387704503.db2.gz XJZDFSXVBMQXTJ-SNVBAGLBSA-N 1 0 239.309 3.902 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000150173747 322982755 /nfs/dbraw/zinc/98/27/55/322982755.db2.gz KLEMCHWSIPDOPX-ZDUSSCGKSA-N 1 0 237.293 3.823 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000150173967 322982790 /nfs/dbraw/zinc/98/27/90/322982790.db2.gz KLEMCHWSIPDOPX-CYBMUJFWSA-N 1 0 237.293 3.823 20 0 BHADRO Cc1ncccc1NCc1ccc(C(F)F)cc1 ZINC000150179093 398332313 /nfs/dbraw/zinc/33/23/13/398332313.db2.gz IWDBLDBFARWDRB-UHFFFAOYSA-N 1 0 248.276 3.940 20 0 BHADRO C[C@H]([NH2+]CCc1cccnc1)C1CCCCCC1 ZINC000150184091 383908785 /nfs/dbraw/zinc/90/87/85/383908785.db2.gz ZMJLPNRFLFGSPF-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2CCCCCC2)n1 ZINC000150208554 383942634 /nfs/dbraw/zinc/94/26/34/383942634.db2.gz PHLRXMZMNOBCTQ-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H]([NH2+]CCc1ccncc1)C1CCCCCC1 ZINC000150238047 322983800 /nfs/dbraw/zinc/98/38/00/322983800.db2.gz AGUZJRWLSSYQGS-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CCCCCC1 ZINC000150248299 383994350 /nfs/dbraw/zinc/99/43/50/383994350.db2.gz PDVOPQZFKIAEKH-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCO1)C1CCCCCC1 ZINC000150248484 322984254 /nfs/dbraw/zinc/98/42/54/322984254.db2.gz PDVOPQZFKIAEKH-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccn1)C1CCCCCC1 ZINC000150248897 322984253 /nfs/dbraw/zinc/98/42/53/322984253.db2.gz QHCZOABPARPXFZ-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]CCc1cccnc1)C1CCCCCC1 ZINC000150281836 384050540 /nfs/dbraw/zinc/05/05/40/384050540.db2.gz ZMJLPNRFLFGSPF-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)(C)C1CC[NH+](C2CCCC2)CC1 ZINC000150301180 346169854 /nfs/dbraw/zinc/16/98/54/346169854.db2.gz DEFZUYBJYFJLMF-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2CCCCCC2)n1 ZINC000150304708 384067862 /nfs/dbraw/zinc/06/78/62/384067862.db2.gz PHLRXMZMNOBCTQ-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1csc(C)n1 ZINC000150739621 387758305 /nfs/dbraw/zinc/75/83/05/387758305.db2.gz WXZRAFJSZIRQIY-CYBMUJFWSA-N 1 0 238.400 3.606 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1csc(C)n1 ZINC000150739631 387758238 /nfs/dbraw/zinc/75/82/38/387758238.db2.gz WXZRAFJSZIRQIY-ZDUSSCGKSA-N 1 0 238.400 3.606 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cnc(C)s1 ZINC000150745814 387763574 /nfs/dbraw/zinc/76/35/74/387763574.db2.gz VTFFZTRYEJZUSE-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cnc(C)s1 ZINC000150745827 387763889 /nfs/dbraw/zinc/76/38/89/387763889.db2.gz VTFFZTRYEJZUSE-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CC(C)[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000150886809 188156583 /nfs/dbraw/zinc/15/65/83/188156583.db2.gz KUTINMGDKPRMQB-UHFFFAOYSA-N 1 0 246.379 3.650 20 0 BHADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)C ZINC000150929762 192939455 /nfs/dbraw/zinc/93/94/55/192939455.db2.gz GKNJMEWUYAWUFV-SNVBAGLBSA-N 1 0 240.416 3.882 20 0 BHADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)C ZINC000150929802 191114741 /nfs/dbraw/zinc/11/47/41/191114741.db2.gz GKNJMEWUYAWUFV-JTQLQIEISA-N 1 0 240.416 3.882 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000150939890 323039865 /nfs/dbraw/zinc/03/98/65/323039865.db2.gz LKCUJFDPJQWWHF-LSDHHAIUSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000150949015 387785183 /nfs/dbraw/zinc/78/51/83/387785183.db2.gz DFWHFEGJORXTNK-JTQLQIEISA-N 1 0 223.385 3.543 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000150949045 192941013 /nfs/dbraw/zinc/94/10/13/192941013.db2.gz DFWHFEGJORXTNK-SNVBAGLBSA-N 1 0 223.385 3.543 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150950933 398235583 /nfs/dbraw/zinc/23/55/83/398235583.db2.gz BTCNAIMQPJOGPV-JLLWLGSASA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150950969 398235758 /nfs/dbraw/zinc/23/57/58/398235758.db2.gz BTCNAIMQPJOGPV-WCQGTBRESA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150951006 387785780 /nfs/dbraw/zinc/78/57/80/387785780.db2.gz BTCNAIMQPJOGPV-USWWRNFRSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150951050 387785918 /nfs/dbraw/zinc/78/59/18/387785918.db2.gz BTCNAIMQPJOGPV-DLOVCJGASA-N 1 0 240.416 3.927 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000150957672 323003982 /nfs/dbraw/zinc/00/39/82/323003982.db2.gz GQUKDRCHFXQXOE-CQSZACIVSA-N 1 0 245.366 3.679 20 0 BHADRO CC(C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000150957715 323003947 /nfs/dbraw/zinc/00/39/47/323003947.db2.gz GQUKDRCHFXQXOE-AWEZNQCLSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)C)c1nc(C)cs1 ZINC000150962545 398235516 /nfs/dbraw/zinc/23/55/16/398235516.db2.gz MXBIFPWBQMGNJV-QWRGUYRKSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1nc(C)cs1 ZINC000150962586 398235361 /nfs/dbraw/zinc/23/53/61/398235361.db2.gz MXBIFPWBQMGNJV-WDEREUQCSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)C)c1nc(C)cs1 ZINC000150962648 398235695 /nfs/dbraw/zinc/23/56/95/398235695.db2.gz MXBIFPWBQMGNJV-MNOVXSKESA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@@H]1CCOC1 ZINC000150965330 323004241 /nfs/dbraw/zinc/00/42/41/323004241.db2.gz OTPIMRBYWDCODR-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@H]1CCOC1 ZINC000150965419 322972480 /nfs/dbraw/zinc/97/24/80/322972480.db2.gz OTPIMRBYWDCODR-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000150970850 192940864 /nfs/dbraw/zinc/94/08/64/192940864.db2.gz GIXHCRSDFMWQQL-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000150970911 387787289 /nfs/dbraw/zinc/78/72/89/387787289.db2.gz GIXHCRSDFMWQQL-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1CCOCC1 ZINC000150970963 387787403 /nfs/dbraw/zinc/78/74/03/387787403.db2.gz GIXHCRSDFMWQQL-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C1CCOCC1 ZINC000150971014 387787354 /nfs/dbraw/zinc/78/73/54/387787354.db2.gz GIXHCRSDFMWQQL-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976147 192942958 /nfs/dbraw/zinc/94/29/58/192942958.db2.gz DSSRWDGSCBOVFT-JQWIXIFHSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976202 387786740 /nfs/dbraw/zinc/78/67/40/387786740.db2.gz DSSRWDGSCBOVFT-CMPLNLGQSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976247 191059667 /nfs/dbraw/zinc/05/96/67/191059667.db2.gz DSSRWDGSCBOVFT-PWSUYJOCSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976282 387787345 /nfs/dbraw/zinc/78/73/45/387787345.db2.gz DSSRWDGSCBOVFT-ZYHUDNBSSA-N 1 0 240.416 3.927 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150978901 169370427 /nfs/dbraw/zinc/37/04/27/169370427.db2.gz QBUDUSHVLHBZKD-KOLCDFICSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000150978940 169493682 /nfs/dbraw/zinc/49/36/82/169493682.db2.gz QBUDUSHVLHBZKD-ONGXEEELSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000150978988 169371163 /nfs/dbraw/zinc/37/11/63/169371163.db2.gz QBUDUSHVLHBZKD-MWLCHTKSSA-N 1 0 226.389 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000150979031 387787365 /nfs/dbraw/zinc/78/73/65/387787365.db2.gz QBUDUSHVLHBZKD-GXSJLCMTSA-N 1 0 226.389 3.681 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000150982737 387789154 /nfs/dbraw/zinc/78/91/54/387789154.db2.gz HXCAQAGZMCKYAV-WCQYABFASA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000150982782 387788751 /nfs/dbraw/zinc/78/87/51/387788751.db2.gz HXCAQAGZMCKYAV-AAEUAGOBSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000150982829 387788180 /nfs/dbraw/zinc/78/81/80/387788180.db2.gz HXCAQAGZMCKYAV-DGCLKSJQSA-N 1 0 237.412 3.706 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000150982871 387788901 /nfs/dbraw/zinc/78/89/01/387788901.db2.gz HXCAQAGZMCKYAV-YPMHNXCESA-N 1 0 237.412 3.706 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998069 387791236 /nfs/dbraw/zinc/79/12/36/387791236.db2.gz DLGVYOSXKOOXBX-RYUDHWBXSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998118 387790622 /nfs/dbraw/zinc/79/06/22/387790622.db2.gz DLGVYOSXKOOXBX-NWDGAFQWSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1nc(C)cs1)C(C)C ZINC000150998162 192943948 /nfs/dbraw/zinc/94/39/48/192943948.db2.gz DLGVYOSXKOOXBX-NEPJUHHUSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998207 387791267 /nfs/dbraw/zinc/79/12/67/387791267.db2.gz DLGVYOSXKOOXBX-VXGBXAGGSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018087 537929149 /nfs/dbraw/zinc/92/91/49/537929149.db2.gz ZEIKUBIDEVAVDC-RYUDHWBXSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018130 537928220 /nfs/dbraw/zinc/92/82/20/537928220.db2.gz ZEIKUBIDEVAVDC-NWDGAFQWSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1nc(C)cs1)C1CC1 ZINC000151018184 537929210 /nfs/dbraw/zinc/92/92/10/537929210.db2.gz ZEIKUBIDEVAVDC-NEPJUHHUSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018227 537928457 /nfs/dbraw/zinc/92/84/57/537928457.db2.gz ZEIKUBIDEVAVDC-VXGBXAGGSA-N 1 0 238.400 3.681 20 0 BHADRO CCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000151031051 385081655 /nfs/dbraw/zinc/08/16/55/385081655.db2.gz YCBHTDICUZWAHQ-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000151031125 385082034 /nfs/dbraw/zinc/08/20/34/385082034.db2.gz YCBHTDICUZWAHQ-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000151035830 387797869 /nfs/dbraw/zinc/79/78/69/387797869.db2.gz FUXMPWOPMIVWCP-AWEZNQCLSA-N 1 0 221.344 3.536 20 0 BHADRO CCCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000151035881 387797763 /nfs/dbraw/zinc/79/77/63/387797763.db2.gz FUXMPWOPMIVWCP-CQSZACIVSA-N 1 0 221.344 3.536 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000151035936 640278346 /nfs/dbraw/zinc/27/83/46/640278346.db2.gz UNUBZNMMSVFCJE-OLZOCXBDSA-N 1 0 205.345 3.568 20 0 BHADRO CCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000151035993 640277371 /nfs/dbraw/zinc/27/73/71/640277371.db2.gz UNUBZNMMSVFCJE-CHWSQXEVSA-N 1 0 205.345 3.568 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000151036067 640277672 /nfs/dbraw/zinc/27/76/72/640277672.db2.gz UNUBZNMMSVFCJE-STQMWFEESA-N 1 0 205.345 3.568 20 0 BHADRO CCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000151036140 640276186 /nfs/dbraw/zinc/27/61/86/640276186.db2.gz UNUBZNMMSVFCJE-QWHCGFSZSA-N 1 0 205.345 3.568 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000151037457 174156085 /nfs/dbraw/zinc/15/60/85/174156085.db2.gz UEFATQDCCBLZQR-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO COCCC1(C[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000151037509 174156308 /nfs/dbraw/zinc/15/63/08/174156308.db2.gz UEFATQDCCBLZQR-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000151038540 387797204 /nfs/dbraw/zinc/79/72/04/387797204.db2.gz YECFKHSHIWGNOV-QMMMGPOBSA-N 1 0 231.261 3.555 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000151038609 192947227 /nfs/dbraw/zinc/94/72/27/192947227.db2.gz YECFKHSHIWGNOV-MRVPVSSYSA-N 1 0 231.261 3.555 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000151042938 323006450 /nfs/dbraw/zinc/00/64/50/323006450.db2.gz HDAWFUQQSKBPHU-OLZOCXBDSA-N 1 0 235.371 3.577 20 0 BHADRO CCCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000151042988 323006476 /nfs/dbraw/zinc/00/64/76/323006476.db2.gz HDAWFUQQSKBPHU-CHWSQXEVSA-N 1 0 235.371 3.577 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000151043041 323006462 /nfs/dbraw/zinc/00/64/62/323006462.db2.gz HDAWFUQQSKBPHU-STQMWFEESA-N 1 0 235.371 3.577 20 0 BHADRO CCCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000151043086 323006452 /nfs/dbraw/zinc/00/64/52/323006452.db2.gz HDAWFUQQSKBPHU-QWHCGFSZSA-N 1 0 235.371 3.577 20 0 BHADRO CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000151043225 384535446 /nfs/dbraw/zinc/53/54/46/384535446.db2.gz LMZWAUHAUDCJLI-CQSZACIVSA-N 1 0 245.366 3.823 20 0 BHADRO CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000151043287 384536514 /nfs/dbraw/zinc/53/65/14/384536514.db2.gz LMZWAUHAUDCJLI-AWEZNQCLSA-N 1 0 245.366 3.823 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccnc2)CCCC1 ZINC000151052948 385084940 /nfs/dbraw/zinc/08/49/40/385084940.db2.gz BJWKQSGTGUZUJM-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccnc2)CCCC1 ZINC000151052998 168482472 /nfs/dbraw/zinc/48/24/72/168482472.db2.gz BJWKQSGTGUZUJM-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccncc2)CCCC1 ZINC000151053271 398237870 /nfs/dbraw/zinc/23/78/70/398237870.db2.gz NFGDYOGMJJGIPE-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccncc2)CCCC1 ZINC000151053322 398237680 /nfs/dbraw/zinc/23/76/80/398237680.db2.gz NFGDYOGMJJGIPE-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000151067011 640289973 /nfs/dbraw/zinc/28/99/73/640289973.db2.gz ZKMQZBRIJVTOPS-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000151067058 640289010 /nfs/dbraw/zinc/28/90/10/640289010.db2.gz ZKMQZBRIJVTOPS-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000151067114 640288842 /nfs/dbraw/zinc/28/88/42/640288842.db2.gz ZKMQZBRIJVTOPS-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000151067176 632768464 /nfs/dbraw/zinc/76/84/64/632768464.db2.gz ZKMQZBRIJVTOPS-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000151074285 640290477 /nfs/dbraw/zinc/29/04/77/640290477.db2.gz ZVTWPYAKZJCODE-STQMWFEESA-N 1 0 229.433 3.853 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000151074341 640289236 /nfs/dbraw/zinc/28/92/36/640289236.db2.gz ZVTWPYAKZJCODE-OLZOCXBDSA-N 1 0 229.433 3.853 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000151074400 640289798 /nfs/dbraw/zinc/28/97/98/640289798.db2.gz ZVTWPYAKZJCODE-QWHCGFSZSA-N 1 0 229.433 3.853 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000151074452 640289970 /nfs/dbraw/zinc/28/99/70/640289970.db2.gz ZVTWPYAKZJCODE-CHWSQXEVSA-N 1 0 229.433 3.853 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000151088623 640299538 /nfs/dbraw/zinc/29/95/38/640299538.db2.gz JLCQCQMIBPIXAQ-QWRGUYRKSA-N 1 0 249.489 3.638 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000151088676 640292840 /nfs/dbraw/zinc/29/28/40/640292840.db2.gz JLCQCQMIBPIXAQ-MNOVXSKESA-N 1 0 249.489 3.638 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000151088731 640294167 /nfs/dbraw/zinc/29/41/67/640294167.db2.gz JLCQCQMIBPIXAQ-WDEREUQCSA-N 1 0 249.489 3.638 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000151088787 640293993 /nfs/dbraw/zinc/29/39/93/640293993.db2.gz JLCQCQMIBPIXAQ-GHMZBOCLSA-N 1 0 249.489 3.638 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCSC)o1 ZINC000151134046 640308634 /nfs/dbraw/zinc/30/86/34/640308634.db2.gz WIBZUEYSCLPMBC-WDEREUQCSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CCSC)o1 ZINC000151134114 640308362 /nfs/dbraw/zinc/30/83/62/640308362.db2.gz WIBZUEYSCLPMBC-QWRGUYRKSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CCSC)o1 ZINC000151134186 632771492 /nfs/dbraw/zinc/77/14/92/632771492.db2.gz WIBZUEYSCLPMBC-GHMZBOCLSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CCSC)o1 ZINC000151134256 632769800 /nfs/dbraw/zinc/76/98/00/632769800.db2.gz WIBZUEYSCLPMBC-MNOVXSKESA-N 1 0 241.400 3.634 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2C=CCCC2)s1 ZINC000151146215 387802394 /nfs/dbraw/zinc/80/23/94/387802394.db2.gz HCZMJJPLBOVMMT-VIFPVBQESA-N 1 0 227.760 3.600 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2C=CCCC2)s1 ZINC000151146276 398072430 /nfs/dbraw/zinc/07/24/30/398072430.db2.gz HCZMJJPLBOVMMT-SECBINFHSA-N 1 0 227.760 3.600 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1C=CCCC1 ZINC000151150224 387802202 /nfs/dbraw/zinc/80/22/02/387802202.db2.gz UYARAUBBNNYVSU-LBPRGKRZSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1C=CCCC1 ZINC000151150278 387801263 /nfs/dbraw/zinc/80/12/63/387801263.db2.gz UYARAUBBNNYVSU-GFCCVEGCSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2C=CCCC2)c1 ZINC000151170054 387804750 /nfs/dbraw/zinc/80/47/50/387804750.db2.gz SAMGCUCIPICBSY-ZDUSSCGKSA-N 1 0 221.731 3.538 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2C=CCCC2)c1 ZINC000151170122 387804843 /nfs/dbraw/zinc/80/48/43/387804843.db2.gz SAMGCUCIPICBSY-CYBMUJFWSA-N 1 0 221.731 3.538 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC000151175004 384550433 /nfs/dbraw/zinc/55/04/33/384550433.db2.gz CIIYDNWQQYUVOO-QWHCGFSZSA-N 1 0 203.329 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC000151175064 384550712 /nfs/dbraw/zinc/55/07/12/384550712.db2.gz CIIYDNWQQYUVOO-STQMWFEESA-N 1 0 203.329 3.540 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C=CCCC2)o1 ZINC000151181629 323012675 /nfs/dbraw/zinc/01/26/75/323012675.db2.gz QURGYUDMYFEQNQ-DYEKYZERSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C=CCCC2)o1 ZINC000151181761 323012763 /nfs/dbraw/zinc/01/27/63/323012763.db2.gz QURGYUDMYFEQNQ-MBNYWOFBSA-N 1 0 231.339 3.601 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCF)o1 ZINC000151186361 384551880 /nfs/dbraw/zinc/55/18/80/384551880.db2.gz XRUMWRIHQDCFGN-YPMHNXCESA-N 1 0 239.334 3.721 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCF)o1 ZINC000151186424 384551036 /nfs/dbraw/zinc/55/10/36/384551036.db2.gz XRUMWRIHQDCFGN-DGCLKSJQSA-N 1 0 239.334 3.721 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCF)o1 ZINC000151186484 384550973 /nfs/dbraw/zinc/55/09/73/384550973.db2.gz XRUMWRIHQDCFGN-AAEUAGOBSA-N 1 0 239.334 3.721 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCF)o1 ZINC000151186551 384551332 /nfs/dbraw/zinc/55/13/32/384551332.db2.gz XRUMWRIHQDCFGN-WCQYABFASA-N 1 0 239.334 3.721 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000151211269 384545548 /nfs/dbraw/zinc/54/55/48/384545548.db2.gz TWMGXACUSGPSTD-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000151211329 384545284 /nfs/dbraw/zinc/54/52/84/384545284.db2.gz TWMGXACUSGPSTD-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]C2CCCC2)s1 ZINC000151227362 387810578 /nfs/dbraw/zinc/81/05/78/387810578.db2.gz TUAMSDOCMVCKOI-SECBINFHSA-N 1 0 238.400 3.607 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]C2CCCC2)s1 ZINC000151227404 387810386 /nfs/dbraw/zinc/81/03/86/387810386.db2.gz TUAMSDOCMVCKOI-VIFPVBQESA-N 1 0 238.400 3.607 20 0 BHADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCCC1 ZINC000151231918 538025460 /nfs/dbraw/zinc/02/54/60/538025460.db2.gz ADDGMJLWZCFLLS-LLVKDONJSA-N 1 0 249.402 3.540 20 0 BHADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCCC1 ZINC000151231980 538025297 /nfs/dbraw/zinc/02/52/97/538025297.db2.gz ADDGMJLWZCFLLS-NSHDSACASA-N 1 0 249.402 3.540 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cccc(OC)c1 ZINC000151233163 384562137 /nfs/dbraw/zinc/56/21/37/384562137.db2.gz LOPNPXUCJITEGI-HNNXBMFYSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cccc(OC)c1 ZINC000151233227 384562447 /nfs/dbraw/zinc/56/24/47/384562447.db2.gz LOPNPXUCJITEGI-OAHLLOKOSA-N 1 0 233.355 3.679 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@@H](C)c1ccccc1 ZINC000151233309 538024941 /nfs/dbraw/zinc/02/49/41/538024941.db2.gz XRZIZMAHVOOXCG-CHWSQXEVSA-N 1 0 217.356 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@H](C)c1ccccc1 ZINC000151233366 538025100 /nfs/dbraw/zinc/02/51/00/538025100.db2.gz XRZIZMAHVOOXCG-QWHCGFSZSA-N 1 0 217.356 3.711 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)[C@@H](C)c1ccccc1 ZINC000151233425 538025107 /nfs/dbraw/zinc/02/51/07/538025107.db2.gz XRZIZMAHVOOXCG-OLZOCXBDSA-N 1 0 217.356 3.711 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCCC1 ZINC000151233486 538024837 /nfs/dbraw/zinc/02/48/37/538024837.db2.gz XRZIZMAHVOOXCG-STQMWFEESA-N 1 0 217.356 3.711 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000151243008 323014033 /nfs/dbraw/zinc/01/40/33/323014033.db2.gz GYZFSCSNKZCRHD-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2CCCC2)c1 ZINC000151243066 323040832 /nfs/dbraw/zinc/04/08/32/323040832.db2.gz GYZFSCSNKZCRHD-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cc2c(s1)CCC2 ZINC000151246363 360688087 /nfs/dbraw/zinc/68/80/87/360688087.db2.gz XKRQILRRNYEZHT-JTQLQIEISA-N 1 0 235.396 3.830 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cc2c(s1)CCC2 ZINC000151246446 360687653 /nfs/dbraw/zinc/68/76/53/360687653.db2.gz XKRQILRRNYEZHT-SNVBAGLBSA-N 1 0 235.396 3.830 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000151252700 323014346 /nfs/dbraw/zinc/01/43/46/323014346.db2.gz YSSBBHCXPHREFW-CHWSQXEVSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000151252762 323014401 /nfs/dbraw/zinc/01/44/01/323014401.db2.gz YSSBBHCXPHREFW-QWHCGFSZSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCCC2)cc1 ZINC000151252816 323014374 /nfs/dbraw/zinc/01/43/74/323014374.db2.gz YSSBBHCXPHREFW-OLZOCXBDSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCCC2)cc1 ZINC000151252886 323014417 /nfs/dbraw/zinc/01/44/17/323014417.db2.gz YSSBBHCXPHREFW-STQMWFEESA-N 1 0 247.382 3.719 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCCC1)[C@@H]1CCOC1 ZINC000151283984 640354777 /nfs/dbraw/zinc/35/47/77/640354777.db2.gz PKYNKQOHODKPHJ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCCC1)[C@@H]1CCOC1 ZINC000151284039 640353558 /nfs/dbraw/zinc/35/35/58/640353558.db2.gz PKYNKQOHODKPHJ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCCC1)[C@H]1CCOC1 ZINC000151284107 640354266 /nfs/dbraw/zinc/35/42/66/640354266.db2.gz PKYNKQOHODKPHJ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCCC1)[C@H]1CCOC1 ZINC000151284181 640353214 /nfs/dbraw/zinc/35/32/14/640353214.db2.gz PKYNKQOHODKPHJ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[N@H+](CCCF)[C@@H]1c1cccc(F)c1 ZINC000151285949 323015133 /nfs/dbraw/zinc/01/51/33/323015133.db2.gz OEGOLQFLBWSRAG-RISCZKNCSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H]1CC[N@H+](CCCF)[C@@H]1c1cccc(F)c1 ZINC000151286031 323015080 /nfs/dbraw/zinc/01/50/80/323015080.db2.gz OEGOLQFLBWSRAG-FZMZJTMJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)C1CCOCC1 ZINC000151286727 632773079 /nfs/dbraw/zinc/77/30/79/632773079.db2.gz BLVPCJOAEHZRRF-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]C(CC)CC)s1 ZINC000151287560 387812701 /nfs/dbraw/zinc/81/27/01/387812701.db2.gz BTNPEYYDKZUWIH-SECBINFHSA-N 1 0 240.416 3.853 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]C(CC)CC)s1 ZINC000151287628 387811173 /nfs/dbraw/zinc/81/11/73/387811173.db2.gz BTNPEYYDKZUWIH-VIFPVBQESA-N 1 0 240.416 3.853 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000151297489 711821641 /nfs/dbraw/zinc/82/16/41/711821641.db2.gz XLYKOJUVHAGMGM-VIFPVBQESA-N 1 0 226.751 3.574 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000151297537 711821818 /nfs/dbraw/zinc/82/18/18/711821818.db2.gz XLYKOJUVHAGMGM-SECBINFHSA-N 1 0 226.751 3.574 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@@H](C)c1ccccc1 ZINC000151331086 640366839 /nfs/dbraw/zinc/36/68/39/640366839.db2.gz CABLVNHZYQFMHJ-HNNXBMFYSA-N 1 0 247.382 3.829 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@H](C)c1ccccc1 ZINC000151331166 635949722 /nfs/dbraw/zinc/94/97/22/635949722.db2.gz CABLVNHZYQFMHJ-OAHLLOKOSA-N 1 0 247.382 3.829 20 0 BHADRO CC(C)[NH+](Cc1ccc(F)c(F)c1)C(C)C ZINC000151331391 384563787 /nfs/dbraw/zinc/56/37/87/384563787.db2.gz WLFXJJXHBDEPIJ-UHFFFAOYSA-N 1 0 227.298 3.584 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000151414973 323016252 /nfs/dbraw/zinc/01/62/52/323016252.db2.gz SKJWVCNSMJUVOX-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000151415046 323016161 /nfs/dbraw/zinc/01/61/61/323016161.db2.gz SKJWVCNSMJUVOX-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000151415118 323016222 /nfs/dbraw/zinc/01/62/22/323016222.db2.gz SKJWVCNSMJUVOX-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000151415195 323016155 /nfs/dbraw/zinc/01/61/55/323016155.db2.gz SKJWVCNSMJUVOX-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000151459141 385111556 /nfs/dbraw/zinc/11/15/56/385111556.db2.gz BGCWIXLLUOKJLX-NEPJUHHUSA-N 1 0 249.402 3.713 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000151459212 385110047 /nfs/dbraw/zinc/11/00/47/385110047.db2.gz BGCWIXLLUOKJLX-RYUDHWBXSA-N 1 0 249.402 3.713 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000151459290 385111622 /nfs/dbraw/zinc/11/16/22/385111622.db2.gz BGCWIXLLUOKJLX-VXGBXAGGSA-N 1 0 249.402 3.713 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000151459365 385110804 /nfs/dbraw/zinc/11/08/04/385110804.db2.gz BGCWIXLLUOKJLX-NWDGAFQWSA-N 1 0 249.402 3.713 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000151463839 640384896 /nfs/dbraw/zinc/38/48/96/640384896.db2.gz VUSUBAGJASJEFC-NEPJUHHUSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000151463918 640384815 /nfs/dbraw/zinc/38/48/15/640384815.db2.gz VUSUBAGJASJEFC-RYUDHWBXSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000151463995 640384868 /nfs/dbraw/zinc/38/48/68/640384868.db2.gz VUSUBAGJASJEFC-VXGBXAGGSA-N 1 0 238.350 3.840 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000151464063 640385221 /nfs/dbraw/zinc/38/52/21/640385221.db2.gz VUSUBAGJASJEFC-NWDGAFQWSA-N 1 0 238.350 3.840 20 0 BHADRO FCCC[NH+]1CCC(=Cc2ccccc2)CC1 ZINC000151480543 384573371 /nfs/dbraw/zinc/57/33/71/384573371.db2.gz XGZOKQNOSHVPFF-UHFFFAOYSA-N 1 0 233.330 3.525 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1cncc(F)c1 ZINC000151529320 176830347 /nfs/dbraw/zinc/83/03/47/176830347.db2.gz DNCDVKXAZOCXOY-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1cncc(F)c1 ZINC000151529395 385118243 /nfs/dbraw/zinc/11/82/43/385118243.db2.gz DNCDVKXAZOCXOY-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1CCCCCC1 ZINC000151532678 387849011 /nfs/dbraw/zinc/84/90/11/387849011.db2.gz YJLFVDHCIMWMTQ-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1CCCCCC1 ZINC000151532749 387848077 /nfs/dbraw/zinc/84/80/77/387848077.db2.gz YJLFVDHCIMWMTQ-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(COC)cc2)CC1 ZINC000151557069 387853634 /nfs/dbraw/zinc/85/36/34/387853634.db2.gz NMLTXYUCRDHQMC-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)CC1CCCC1 ZINC000151568353 323019055 /nfs/dbraw/zinc/01/90/55/323019055.db2.gz XFXPXAQYEIOVMW-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)n1 ZINC000151607746 180171527 /nfs/dbraw/zinc/17/15/27/180171527.db2.gz QLYDUTOEYFFGHZ-NWDGAFQWSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)n1 ZINC000151607827 180173507 /nfs/dbraw/zinc/17/35/07/180173507.db2.gz QLYDUTOEYFFGHZ-RYUDHWBXSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c(C)n1 ZINC000151607908 180172218 /nfs/dbraw/zinc/17/22/18/180172218.db2.gz QLYDUTOEYFFGHZ-VXGBXAGGSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CCC(C)C)c(C)n1 ZINC000151607998 180173962 /nfs/dbraw/zinc/17/39/62/180173962.db2.gz QLYDUTOEYFFGHZ-NEPJUHHUSA-N 1 0 249.402 3.569 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000151610478 323020364 /nfs/dbraw/zinc/02/03/64/323020364.db2.gz DXVWTYOZEAUNFX-ZIAGYGMSSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000151610549 323020436 /nfs/dbraw/zinc/02/04/36/323020436.db2.gz DXVWTYOZEAUNFX-UONOGXRCSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000151610617 323020360 /nfs/dbraw/zinc/02/03/60/323020360.db2.gz DXVWTYOZEAUNFX-KGLIPLIRSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000151610687 323020322 /nfs/dbraw/zinc/02/03/22/323020322.db2.gz DXVWTYOZEAUNFX-KBPBESRZSA-N 1 0 249.398 3.747 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C(C1CC1)C1CC1 ZINC000151612355 323020704 /nfs/dbraw/zinc/02/07/04/323020704.db2.gz IUJAFEOYSOEKHX-UHFFFAOYSA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000151613315 385121420 /nfs/dbraw/zinc/12/14/20/385121420.db2.gz CPNMJBKHJAOADF-NEPJUHHUSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000151613391 166904552 /nfs/dbraw/zinc/90/45/52/166904552.db2.gz CPNMJBKHJAOADF-RYUDHWBXSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000151613470 385121471 /nfs/dbraw/zinc/12/14/71/385121471.db2.gz CPNMJBKHJAOADF-VXGBXAGGSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000151613543 166906057 /nfs/dbraw/zinc/90/60/57/166906057.db2.gz CPNMJBKHJAOADF-NWDGAFQWSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000151618398 387865838 /nfs/dbraw/zinc/86/58/38/387865838.db2.gz QFXJDNALYKWDCA-ZJUUUORDSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000151618473 387865656 /nfs/dbraw/zinc/86/56/56/387865656.db2.gz QFXJDNALYKWDCA-UWVGGRQHSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000151618543 387866410 /nfs/dbraw/zinc/86/64/10/387866410.db2.gz QFXJDNALYKWDCA-NXEZZACHSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000151618621 387865256 /nfs/dbraw/zinc/86/52/56/387865256.db2.gz QFXJDNALYKWDCA-VHSXEESVSA-N 1 0 225.298 3.742 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000151621648 323020781 /nfs/dbraw/zinc/02/07/81/323020781.db2.gz RZOLEZDVUWDCIN-UHFFFAOYSA-N 1 0 244.338 3.620 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](CC)C(C)C)cc1 ZINC000151637673 323021286 /nfs/dbraw/zinc/02/12/86/323021286.db2.gz BSRNJRJZKBRSNY-INIZCTEOSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](CC)C(C)C)cc1 ZINC000151637736 323021193 /nfs/dbraw/zinc/02/11/93/323021193.db2.gz BSRNJRJZKBRSNY-MRXNPFEDSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000151641854 323021721 /nfs/dbraw/zinc/02/17/21/323021721.db2.gz COCFLZHUEVSDBT-ZDUSSCGKSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000151641918 323021787 /nfs/dbraw/zinc/02/17/87/323021787.db2.gz COCFLZHUEVSDBT-CYBMUJFWSA-N 1 0 249.398 3.747 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000151641996 384666725 /nfs/dbraw/zinc/66/67/25/384666725.db2.gz QWYAMLYLMWNXDZ-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000151642062 384666978 /nfs/dbraw/zinc/66/69/78/384666978.db2.gz QWYAMLYLMWNXDZ-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000151645533 323021681 /nfs/dbraw/zinc/02/16/81/323021681.db2.gz QACTXAFGEVJRAU-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000151645620 323021700 /nfs/dbraw/zinc/02/17/00/323021700.db2.gz QACTXAFGEVJRAU-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000151674574 343407185 /nfs/dbraw/zinc/40/71/85/343407185.db2.gz ZASJNPPCXSTQSD-RYUDHWBXSA-N 1 0 249.320 3.984 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000151695747 397918851 /nfs/dbraw/zinc/91/88/51/397918851.db2.gz JNXKNIFJGLVOGQ-ZDUSSCGKSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000151695818 397918298 /nfs/dbraw/zinc/91/82/98/397918298.db2.gz JNXKNIFJGLVOGQ-CYBMUJFWSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000151696706 397918564 /nfs/dbraw/zinc/91/85/64/397918564.db2.gz UPZYQSQUYOGSKT-ZDUSSCGKSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000151696783 397918646 /nfs/dbraw/zinc/91/86/46/397918646.db2.gz UPZYQSQUYOGSKT-CYBMUJFWSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)C1CCCC1 ZINC000151727583 323025254 /nfs/dbraw/zinc/02/52/54/323025254.db2.gz DKGMFFRFSBXPAP-UHFFFAOYSA-N 1 0 223.385 3.901 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cccnc2)CCC1 ZINC000151733077 134478770 /nfs/dbraw/zinc/47/87/70/134478770.db2.gz KYGWBPDFCNBQHD-AWEZNQCLSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cccnc2)CCC1 ZINC000151733145 384739960 /nfs/dbraw/zinc/73/99/60/384739960.db2.gz KYGWBPDFCNBQHD-CQSZACIVSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccncc2)CCC1 ZINC000151737437 384736846 /nfs/dbraw/zinc/73/68/46/384736846.db2.gz YVTXIZSWMRIZRS-AWEZNQCLSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccncc2)CCC1 ZINC000151737503 384737590 /nfs/dbraw/zinc/73/75/90/384737590.db2.gz YVTXIZSWMRIZRS-CQSZACIVSA-N 1 0 246.398 3.949 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]CCC(C)C)s1 ZINC000151764745 201182251 /nfs/dbraw/zinc/18/22/51/201182251.db2.gz QYGDALNPLUJDSL-SNVBAGLBSA-N 1 0 240.416 3.711 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]CCC(C)C)s1 ZINC000151764818 201182347 /nfs/dbraw/zinc/18/23/47/201182347.db2.gz QYGDALNPLUJDSL-JTQLQIEISA-N 1 0 240.416 3.711 20 0 BHADRO CC(C)CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000151765262 323026588 /nfs/dbraw/zinc/02/65/88/323026588.db2.gz FXDDOFSFJDCWMG-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000151765340 323026603 /nfs/dbraw/zinc/02/66/03/323026603.db2.gz FXDDOFSFJDCWMG-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000151778816 134480868 /nfs/dbraw/zinc/48/08/68/134480868.db2.gz AEMLXHCPXJMUJR-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000151778895 384771764 /nfs/dbraw/zinc/77/17/64/384771764.db2.gz AEMLXHCPXJMUJR-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCF ZINC000151857238 323030705 /nfs/dbraw/zinc/03/07/05/323030705.db2.gz WJGUOWSLEZWUME-HNNXBMFYSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCCF ZINC000151857313 323030802 /nfs/dbraw/zinc/03/08/02/323030802.db2.gz WJGUOWSLEZWUME-OAHLLOKOSA-N 1 0 237.362 3.689 20 0 BHADRO CCOCCC1(C[NH2+]CC(C)(C)C)CCCC1 ZINC000151865990 566436308 /nfs/dbraw/zinc/43/63/08/566436308.db2.gz XRDLBZAPLDVRHW-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000151872251 641471708 /nfs/dbraw/zinc/47/17/08/641471708.db2.gz YMGTXHYZEXXWMK-NSHDSACASA-N 1 0 240.778 3.966 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000151872341 641471522 /nfs/dbraw/zinc/47/15/22/641471522.db2.gz YMGTXHYZEXXWMK-LLVKDONJSA-N 1 0 240.778 3.966 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000151889464 641471892 /nfs/dbraw/zinc/47/18/92/641471892.db2.gz AYDDSLNNPSYAAR-ZDUSSCGKSA-N 1 0 237.391 3.695 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000151889534 641472249 /nfs/dbraw/zinc/47/22/49/641472249.db2.gz AYDDSLNNPSYAAR-CYBMUJFWSA-N 1 0 237.391 3.695 20 0 BHADRO CC(C)(C)[N@H+](CCCF)Cc1ccccc1 ZINC000151937220 398324905 /nfs/dbraw/zinc/32/49/05/398324905.db2.gz WVBQZZYCVPSIIY-UHFFFAOYSA-N 1 0 223.335 3.647 20 0 BHADRO CC(C)COc1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000151941216 538064475 /nfs/dbraw/zinc/06/44/75/538064475.db2.gz GENQVUDSVQMARL-UHFFFAOYSA-N 1 0 245.366 3.530 20 0 BHADRO CC(C)(C)[N@H+](CCCF)Cc1ccc(F)cc1 ZINC000151949047 323044190 /nfs/dbraw/zinc/04/41/90/323044190.db2.gz ZMEPYPOSOCMISV-UHFFFAOYSA-N 1 0 241.325 3.786 20 0 BHADRO C1=CCC([NH2+]Cc2cc3ccccc3s2)C1 ZINC000151961351 538066398 /nfs/dbraw/zinc/06/63/98/538066398.db2.gz VMRFADKFYURCJD-UHFFFAOYSA-N 1 0 229.348 3.710 20 0 BHADRO COCCC1(C[NH2+]C2CCCCCC2)CCC1 ZINC000151964943 323044326 /nfs/dbraw/zinc/04/43/26/323044326.db2.gz WPWZGNLICAQPLN-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C(C)C)cc1F ZINC000151986129 487681695 /nfs/dbraw/zinc/68/16/95/487681695.db2.gz GYDBDASLZYEWMN-VIFPVBQESA-N 1 0 227.348 3.607 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C(C)C)cc1F ZINC000151986194 187469574 /nfs/dbraw/zinc/46/95/74/187469574.db2.gz GYDBDASLZYEWMN-SECBINFHSA-N 1 0 227.348 3.607 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000151986459 490392665 /nfs/dbraw/zinc/39/26/65/490392665.db2.gz BXWYZPCMHXIDHF-ZDUSSCGKSA-N 1 0 240.350 3.808 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000151986539 410173157 /nfs/dbraw/zinc/17/31/57/410173157.db2.gz BXWYZPCMHXIDHF-CYBMUJFWSA-N 1 0 240.350 3.808 20 0 BHADRO C1=CCC([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000151987670 538072771 /nfs/dbraw/zinc/07/27/71/538072771.db2.gz JUHSMVPDMVCXMY-UHFFFAOYSA-N 1 0 239.318 3.755 20 0 BHADRO COc1ccc2oc([C@@H](C)[NH2+]C(C)C)c(C)c2c1 ZINC000151997652 323091371 /nfs/dbraw/zinc/09/13/71/323091371.db2.gz AEFGRZBOIVEVPS-LLVKDONJSA-N 1 0 247.338 3.809 20 0 BHADRO COc1ccc2oc([C@H](C)[NH2+]C(C)C)c(C)c2c1 ZINC000151997729 323091357 /nfs/dbraw/zinc/09/13/57/323091357.db2.gz AEFGRZBOIVEVPS-NSHDSACASA-N 1 0 247.338 3.809 20 0 BHADRO CC[C@H]([NH2+]C(C)C)c1ccccc1OC(F)F ZINC000152002090 323095126 /nfs/dbraw/zinc/09/51/26/323095126.db2.gz TZYVCGYXGDKMMG-NSHDSACASA-N 1 0 243.297 3.737 20 0 BHADRO CC[C@@H]([NH2+]C(C)C)c1ccccc1OC(F)F ZINC000152002169 323095056 /nfs/dbraw/zinc/09/50/56/323095056.db2.gz TZYVCGYXGDKMMG-LLVKDONJSA-N 1 0 243.297 3.737 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000152013901 167131929 /nfs/dbraw/zinc/13/19/29/167131929.db2.gz MVSWSZDBIHNFAR-NSHDSACASA-N 1 0 246.379 3.869 20 0 BHADRO CC(C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000152013969 167138176 /nfs/dbraw/zinc/13/81/76/167138176.db2.gz MVSWSZDBIHNFAR-LLVKDONJSA-N 1 0 246.379 3.869 20 0 BHADRO CC[C@H]([NH2+]C(C)C)c1ccc(Cl)s1 ZINC000152014061 201188203 /nfs/dbraw/zinc/18/82/03/201188203.db2.gz SQTKXSOIIPNKHC-QMMMGPOBSA-N 1 0 217.765 3.851 20 0 BHADRO CC[C@@H]([NH2+]C(C)C)c1ccc(Cl)s1 ZINC000152014127 201188448 /nfs/dbraw/zinc/18/84/48/201188448.db2.gz SQTKXSOIIPNKHC-MRVPVSSYSA-N 1 0 217.765 3.851 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000152017245 641509873 /nfs/dbraw/zinc/50/98/73/641509873.db2.gz AXMZKJMMKXHURM-VIFPVBQESA-N 1 0 247.260 3.644 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000152017314 641509780 /nfs/dbraw/zinc/50/97/80/641509780.db2.gz AXMZKJMMKXHURM-SECBINFHSA-N 1 0 247.260 3.644 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000152022637 323101991 /nfs/dbraw/zinc/10/19/91/323101991.db2.gz PBJWVMAVJPMSLT-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000152022710 323101998 /nfs/dbraw/zinc/10/19/98/323101998.db2.gz PBJWVMAVJPMSLT-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccco1 ZINC000152037571 323106784 /nfs/dbraw/zinc/10/67/84/323106784.db2.gz YFFFAQGBLAPHQL-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccco1 ZINC000152037652 323106764 /nfs/dbraw/zinc/10/67/64/323106764.db2.gz YFFFAQGBLAPHQL-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)c1cc2c(s1)CCC2 ZINC000152039877 136212319 /nfs/dbraw/zinc/21/23/19/136212319.db2.gz OPRBKRNQHFADIW-JTQLQIEISA-N 1 0 247.363 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)c1cc2c(s1)CCC2 ZINC000152039963 136212388 /nfs/dbraw/zinc/21/23/88/136212388.db2.gz OPRBKRNQHFADIW-SNVBAGLBSA-N 1 0 247.363 3.681 20 0 BHADRO c1c[nH]c([C@H]2CCCC[N@H+]2CC2CCCCC2)n1 ZINC000152043157 183327662 /nfs/dbraw/zinc/32/76/62/183327662.db2.gz BSPWGACXRIHKQN-CQSZACIVSA-N 1 0 247.386 3.517 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccco1 ZINC000152051398 323109070 /nfs/dbraw/zinc/10/90/70/323109070.db2.gz JTCJLJFAIFHDLD-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccco1 ZINC000152051476 323109041 /nfs/dbraw/zinc/10/90/41/323109041.db2.gz JTCJLJFAIFHDLD-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000152089736 201190555 /nfs/dbraw/zinc/19/05/55/201190555.db2.gz VOQQAUDLUQTUOM-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000152089902 201189442 /nfs/dbraw/zinc/18/94/42/201189442.db2.gz VOQQAUDLUQTUOM-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)C1CCOCC1 ZINC000152091659 201189815 /nfs/dbraw/zinc/18/98/15/201189815.db2.gz DTRZFRXNWXQXDN-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)C1CCOCC1 ZINC000152091737 201188797 /nfs/dbraw/zinc/18/87/97/201188797.db2.gz DTRZFRXNWXQXDN-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)C1CCOCC1 ZINC000152091806 201190495 /nfs/dbraw/zinc/19/04/95/201190495.db2.gz DTRZFRXNWXQXDN-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)C1CCOCC1 ZINC000152091908 201189508 /nfs/dbraw/zinc/18/95/08/201189508.db2.gz DTRZFRXNWXQXDN-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000152098530 323126345 /nfs/dbraw/zinc/12/63/45/323126345.db2.gz OCWOKJRKPOXJJZ-BVUBDWEXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cncs1 ZINC000152104075 201190136 /nfs/dbraw/zinc/19/01/36/201190136.db2.gz FDLBSTVQQOQFKH-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cncs1 ZINC000152104242 201189955 /nfs/dbraw/zinc/18/99/55/201189955.db2.gz FDLBSTVQQOQFKH-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000152116766 191114725 /nfs/dbraw/zinc/11/47/25/191114725.db2.gz RDDWSHZWBJNHOC-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000152116908 201188822 /nfs/dbraw/zinc/18/88/22/201188822.db2.gz RDDWSHZWBJNHOC-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000152160116 201190895 /nfs/dbraw/zinc/19/08/95/201190895.db2.gz YKYVNHGWJLAYTN-RISCZKNCSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000152160212 201191758 /nfs/dbraw/zinc/19/17/58/201191758.db2.gz YKYVNHGWJLAYTN-FZMZJTMJSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000152160292 191114465 /nfs/dbraw/zinc/11/44/65/191114465.db2.gz YKYVNHGWJLAYTN-BXUZGUMPSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(OC)c1 ZINC000152160377 201191458 /nfs/dbraw/zinc/19/14/58/201191458.db2.gz YKYVNHGWJLAYTN-SMDDNHRTSA-N 1 0 221.344 3.534 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000152160571 384976552 /nfs/dbraw/zinc/97/65/52/384976552.db2.gz VVPNSAHFGXQFEQ-XQQFMLRXSA-N 1 0 205.345 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000152160750 219844247 /nfs/dbraw/zinc/84/42/47/219844247.db2.gz VVPNSAHFGXQFEQ-YNEHKIRRSA-N 1 0 205.345 3.567 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000152167894 201191607 /nfs/dbraw/zinc/19/16/07/201191607.db2.gz QNBWIDCXRJASFW-ZJUUUORDSA-N 1 0 241.375 3.997 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000152167978 201191278 /nfs/dbraw/zinc/19/12/78/201191278.db2.gz QNBWIDCXRJASFW-UWVGGRQHSA-N 1 0 241.375 3.997 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000152168059 201192140 /nfs/dbraw/zinc/19/21/40/201192140.db2.gz QNBWIDCXRJASFW-NXEZZACHSA-N 1 0 241.375 3.997 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000152168156 201192008 /nfs/dbraw/zinc/19/20/08/201192008.db2.gz QNBWIDCXRJASFW-VHSXEESVSA-N 1 0 241.375 3.997 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000152170633 191114284 /nfs/dbraw/zinc/11/42/84/191114284.db2.gz LNPNONIGDADRHU-BXKDBHETSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000152170708 201192443 /nfs/dbraw/zinc/19/24/43/201192443.db2.gz LNPNONIGDADRHU-JOYOIKCWSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000152170804 201191644 /nfs/dbraw/zinc/19/16/44/201191644.db2.gz LNPNONIGDADRHU-SKDRFNHKSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000152170889 201191689 /nfs/dbraw/zinc/19/16/89/201191689.db2.gz LNPNONIGDADRHU-CABZTGNLSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000152170976 201191668 /nfs/dbraw/zinc/19/16/68/201191668.db2.gz DYDHLFORSJRCHY-NEPJUHHUSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000152171033 201191776 /nfs/dbraw/zinc/19/17/76/201191776.db2.gz DYDHLFORSJRCHY-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000152171117 201191555 /nfs/dbraw/zinc/19/15/55/201191555.db2.gz DYDHLFORSJRCHY-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000152171204 201191273 /nfs/dbraw/zinc/19/12/73/201191273.db2.gz DYDHLFORSJRCHY-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000152174269 201192548 /nfs/dbraw/zinc/19/25/48/201192548.db2.gz HKPYTSREHPYRBT-NEPJUHHUSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000152174348 201192169 /nfs/dbraw/zinc/19/21/69/201192169.db2.gz HKPYTSREHPYRBT-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000152174440 201190812 /nfs/dbraw/zinc/19/08/12/201190812.db2.gz HKPYTSREHPYRBT-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000152174522 201190908 /nfs/dbraw/zinc/19/09/08/201190908.db2.gz HKPYTSREHPYRBT-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000152177690 201191025 /nfs/dbraw/zinc/19/10/25/201191025.db2.gz VXBJKZOFRFANCA-ZJUUUORDSA-N 1 0 223.385 3.686 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000152177774 201190795 /nfs/dbraw/zinc/19/07/95/201190795.db2.gz VXBJKZOFRFANCA-UWVGGRQHSA-N 1 0 223.385 3.686 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000152177838 201191349 /nfs/dbraw/zinc/19/13/49/201191349.db2.gz VXBJKZOFRFANCA-NXEZZACHSA-N 1 0 223.385 3.686 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000152177901 201192301 /nfs/dbraw/zinc/19/23/01/201192301.db2.gz VXBJKZOFRFANCA-VHSXEESVSA-N 1 0 223.385 3.686 20 0 BHADRO CC[N@H+](CCCCC(F)(F)F)Cc1ccoc1 ZINC000152182388 538092005 /nfs/dbraw/zinc/09/20/05/538092005.db2.gz COWAOJRBLFQUAW-UHFFFAOYSA-N 1 0 249.276 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000152184078 323132470 /nfs/dbraw/zinc/13/24/70/323132470.db2.gz NQUOWMFKPAWKBQ-XQQFMLRXSA-N 1 0 235.371 3.575 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000152184275 323045520 /nfs/dbraw/zinc/04/55/20/323045520.db2.gz NQUOWMFKPAWKBQ-YNEHKIRRSA-N 1 0 235.371 3.575 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000152184828 323131842 /nfs/dbraw/zinc/13/18/42/323131842.db2.gz OCFCDKSLEHPQDG-TZMCWYRMSA-N 1 0 245.366 3.821 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000152184893 323131893 /nfs/dbraw/zinc/13/18/93/323131893.db2.gz OCFCDKSLEHPQDG-GXTWGEPZSA-N 1 0 245.366 3.821 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000152184987 323132024 /nfs/dbraw/zinc/13/20/24/323132024.db2.gz OCFCDKSLEHPQDG-OCCSQVGLSA-N 1 0 245.366 3.821 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000152185082 323132088 /nfs/dbraw/zinc/13/20/88/323132088.db2.gz OCFCDKSLEHPQDG-JSGCOSHPSA-N 1 0 245.366 3.821 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000152193649 191113714 /nfs/dbraw/zinc/11/37/14/191113714.db2.gz XYLYWEPXKACLBY-VHSXEESVSA-N 1 0 241.762 3.798 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000152201853 169087202 /nfs/dbraw/zinc/08/72/02/169087202.db2.gz JTGDCNOAQQMPJF-LBPRGKRZSA-N 1 0 244.338 3.744 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000152201922 169087457 /nfs/dbraw/zinc/08/74/57/169087457.db2.gz JTGDCNOAQQMPJF-GFCCVEGCSA-N 1 0 244.338 3.744 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000152202792 191068889 /nfs/dbraw/zinc/06/88/89/191068889.db2.gz QANAYNZMFDUSIF-NEPJUHHUSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000152202886 201191250 /nfs/dbraw/zinc/19/12/50/201191250.db2.gz QANAYNZMFDUSIF-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000152202975 201191094 /nfs/dbraw/zinc/19/10/94/201191094.db2.gz QANAYNZMFDUSIF-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000152203065 201192415 /nfs/dbraw/zinc/19/24/15/201192415.db2.gz QANAYNZMFDUSIF-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000152210555 191114792 /nfs/dbraw/zinc/11/47/92/191114792.db2.gz FSMHNNLNVBQJEZ-JTQLQIEISA-N 1 0 240.416 3.855 20 0 BHADRO CCCCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000152210645 387265162 /nfs/dbraw/zinc/26/51/62/387265162.db2.gz FSMHNNLNVBQJEZ-SNVBAGLBSA-N 1 0 240.416 3.855 20 0 BHADRO CCCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000152211099 541449999 /nfs/dbraw/zinc/44/99/99/541449999.db2.gz VHHLVOWQJLSOSJ-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000152211185 541449875 /nfs/dbraw/zinc/44/98/75/541449875.db2.gz VHHLVOWQJLSOSJ-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000152216920 387881524 /nfs/dbraw/zinc/88/15/24/387881524.db2.gz CEONGFSWDIRXGO-JTQLQIEISA-N 1 0 226.751 3.576 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000152216997 387881726 /nfs/dbraw/zinc/88/17/26/387881726.db2.gz CEONGFSWDIRXGO-SNVBAGLBSA-N 1 0 226.751 3.576 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000152230159 201191773 /nfs/dbraw/zinc/19/17/73/201191773.db2.gz ZTSOBIRFOANPDK-LLVKDONJSA-N 1 0 238.400 3.609 20 0 BHADRO CCCCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000152230257 201192152 /nfs/dbraw/zinc/19/21/52/201192152.db2.gz ZTSOBIRFOANPDK-NSHDSACASA-N 1 0 238.400 3.609 20 0 BHADRO CCC1(C[NH2+]Cc2scnc2C)CCCC1 ZINC000152243964 201190867 /nfs/dbraw/zinc/19/08/67/201190867.db2.gz VPVHPLAZVGAQEH-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CCC1(C[NH2+]Cc2cnc(C)s2)CCCC1 ZINC000152249266 201191533 /nfs/dbraw/zinc/19/15/33/201191533.db2.gz VZVBPDLVEPMWMB-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC2)c2ccccc21 ZINC000152270672 385039748 /nfs/dbraw/zinc/03/97/48/385039748.db2.gz VOXAGVBWNWPEPO-ABAIWWIYSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC2)c2ccccc21 ZINC000152270762 385040017 /nfs/dbraw/zinc/04/00/17/385040017.db2.gz VOXAGVBWNWPEPO-NHYWBVRUSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC2)c2ccccc21 ZINC000152270851 385038857 /nfs/dbraw/zinc/03/88/57/385038857.db2.gz VOXAGVBWNWPEPO-IAQYHMDHSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC2)c2ccccc21 ZINC000152270944 385040427 /nfs/dbraw/zinc/04/04/27/385040427.db2.gz VOXAGVBWNWPEPO-XHDPSFHLSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2occc21 ZINC000152279631 201192948 /nfs/dbraw/zinc/19/29/48/201192948.db2.gz YNNYHEMIELZOMH-WCBMZHEXSA-N 1 0 247.260 3.588 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2occc21 ZINC000152279704 201194828 /nfs/dbraw/zinc/19/48/28/201194828.db2.gz YNNYHEMIELZOMH-PSASIEDQSA-N 1 0 247.260 3.588 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCc2occc21 ZINC000152279786 201193635 /nfs/dbraw/zinc/19/36/35/201193635.db2.gz YNNYHEMIELZOMH-WPRPVWTQSA-N 1 0 247.260 3.588 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCc2occc21 ZINC000152279866 201193565 /nfs/dbraw/zinc/19/35/65/201193565.db2.gz YNNYHEMIELZOMH-SCZZXKLOSA-N 1 0 247.260 3.588 20 0 BHADRO COCCCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000152299777 385085722 /nfs/dbraw/zinc/08/57/22/385085722.db2.gz RWTLTKRYJFBPRV-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CCOCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000152303821 353195332 /nfs/dbraw/zinc/19/53/32/353195332.db2.gz CZYCZXMHLQLUDC-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000152303906 353195593 /nfs/dbraw/zinc/19/55/93/353195593.db2.gz CZYCZXMHLQLUDC-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152342583 188333043 /nfs/dbraw/zinc/33/30/43/188333043.db2.gz KFAGRMLZWZOXJG-KBPBESRZSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152342672 188157138 /nfs/dbraw/zinc/15/71/38/188157138.db2.gz KFAGRMLZWZOXJG-KGLIPLIRSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000152342768 187299735 /nfs/dbraw/zinc/29/97/35/187299735.db2.gz KFAGRMLZWZOXJG-UONOGXRCSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000152342861 188157215 /nfs/dbraw/zinc/15/72/15/188157215.db2.gz KFAGRMLZWZOXJG-ZIAGYGMSSA-N 1 0 232.371 3.867 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000152347002 323177423 /nfs/dbraw/zinc/17/74/23/323177423.db2.gz SBXLLTNSUQBBMI-LBPRGKRZSA-N 1 0 249.320 3.984 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000152347096 323177461 /nfs/dbraw/zinc/17/74/61/323177461.db2.gz SBXLLTNSUQBBMI-GFCCVEGCSA-N 1 0 249.320 3.984 20 0 BHADRO CC1(C)CCC[N@@H+]1CCCCC(F)(F)F ZINC000152361103 323178297 /nfs/dbraw/zinc/17/82/97/323178297.db2.gz YEUOMXYUYIHGBV-UHFFFAOYSA-N 1 0 223.282 3.593 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152382888 538102817 /nfs/dbraw/zinc/10/28/17/538102817.db2.gz DIKNJYHSDVKSTR-HZSPNIEDSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152382940 323180485 /nfs/dbraw/zinc/18/04/85/323180485.db2.gz DIKNJYHSDVKSTR-MELADBBJSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152383054 538102773 /nfs/dbraw/zinc/10/27/73/538102773.db2.gz DIKNJYHSDVKSTR-RDBSUJKOSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152383154 323180427 /nfs/dbraw/zinc/18/04/27/323180427.db2.gz DIKNJYHSDVKSTR-IHRRRGAJSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccccc1 ZINC000152434104 169382834 /nfs/dbraw/zinc/38/28/34/169382834.db2.gz HVUNRVVAAHEXJR-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccccc1 ZINC000152434180 387883491 /nfs/dbraw/zinc/88/34/91/387883491.db2.gz HVUNRVVAAHEXJR-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccccc1 ZINC000152434253 169382673 /nfs/dbraw/zinc/38/26/73/169382673.db2.gz HVUNRVVAAHEXJR-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccccc1 ZINC000152434328 387884040 /nfs/dbraw/zinc/88/40/40/387884040.db2.gz HVUNRVVAAHEXJR-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@@H](C)CCC=C(C)C ZINC000152442436 323323411 /nfs/dbraw/zinc/32/34/11/323323411.db2.gz SOAHIYBZYHQLJU-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@@H](C)CCC=C(C)C ZINC000152442539 323323494 /nfs/dbraw/zinc/32/34/94/323323494.db2.gz SOAHIYBZYHQLJU-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@H](C)CCC=C(C)C ZINC000152442632 323323664 /nfs/dbraw/zinc/32/36/64/323323664.db2.gz SOAHIYBZYHQLJU-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@H](C)CCC=C(C)C ZINC000152442733 323323235 /nfs/dbraw/zinc/32/32/35/323323235.db2.gz SOAHIYBZYHQLJU-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CCC[N@H+](CCCCC(F)(F)F)C1CC1 ZINC000152447130 323324032 /nfs/dbraw/zinc/32/40/32/323324032.db2.gz SUAWZHQYDBPPPL-UHFFFAOYSA-N 1 0 223.282 3.593 20 0 BHADRO CCC(CC)(CC)C[NH2+]C1CCSCC1 ZINC000152490901 541453754 /nfs/dbraw/zinc/45/37/54/541453754.db2.gz MYFKROYVGXATSY-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1csc(C)n1 ZINC000152505203 538104091 /nfs/dbraw/zinc/10/40/91/538104091.db2.gz XHKREUNBQXPOFU-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO CCOCCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000152510788 358849110 /nfs/dbraw/zinc/84/91/10/358849110.db2.gz ALVMQNYERORQLE-DZGCQCFKSA-N 1 0 247.382 3.560 20 0 BHADRO CCOCCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000152510889 323430958 /nfs/dbraw/zinc/43/09/58/323430958.db2.gz ALVMQNYERORQLE-ZFWWWQNUSA-N 1 0 247.382 3.560 20 0 BHADRO CCOCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152510965 323431157 /nfs/dbraw/zinc/43/11/57/323431157.db2.gz ALVMQNYERORQLE-UKRRQHHQSA-N 1 0 247.382 3.560 20 0 BHADRO CCOCCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000152511064 398102596 /nfs/dbraw/zinc/10/25/96/398102596.db2.gz ALVMQNYERORQLE-HIFRSBDPSA-N 1 0 247.382 3.560 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cccnc1C ZINC000152511212 538104368 /nfs/dbraw/zinc/10/43/68/538104368.db2.gz ADZCQRHYMWXMQL-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1nc(C)cs1 ZINC000152511586 538104404 /nfs/dbraw/zinc/10/44/04/538104404.db2.gz KYZMNMSWCRGAHA-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1c(C)noc1C ZINC000152514718 538104375 /nfs/dbraw/zinc/10/43/75/538104375.db2.gz MDOCIPYRUCWGDP-UHFFFAOYSA-N 1 0 238.375 3.597 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cnc(C)s1 ZINC000152515416 538104360 /nfs/dbraw/zinc/10/43/60/538104360.db2.gz QVMNRBWMQRUGQS-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1scnc1C ZINC000152516504 538104481 /nfs/dbraw/zinc/10/44/81/538104481.db2.gz ZWAKWZQWNXLZLN-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccco1 ZINC000152548286 179224786 /nfs/dbraw/zinc/22/47/86/179224786.db2.gz RBORBUQCEHGYKV-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccco1 ZINC000152548389 179222431 /nfs/dbraw/zinc/22/24/31/179222431.db2.gz RBORBUQCEHGYKV-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccco1 ZINC000152548476 179224500 /nfs/dbraw/zinc/22/45/00/179224500.db2.gz RBORBUQCEHGYKV-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccco1 ZINC000152548570 179222344 /nfs/dbraw/zinc/22/23/44/179222344.db2.gz RBORBUQCEHGYKV-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152552718 201201930 /nfs/dbraw/zinc/20/19/30/201201930.db2.gz QLDJEADTBZPVSG-NSHDSACASA-N 1 0 239.334 3.675 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152552825 201201677 /nfs/dbraw/zinc/20/16/77/201201677.db2.gz QLDJEADTBZPVSG-LLVKDONJSA-N 1 0 239.334 3.675 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCS1 ZINC000152556364 324181695 /nfs/dbraw/zinc/18/16/95/324181695.db2.gz PQINJSZZGIVZAU-WVUXNXBLSA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCS1 ZINC000152556465 324181277 /nfs/dbraw/zinc/18/12/77/324181277.db2.gz PQINJSZZGIVZAU-VSKPTYQZSA-N 1 0 247.407 3.575 20 0 BHADRO CC(C)(C)C[NH2+]CCc1cc2ccccc2o1 ZINC000152574320 387591987 /nfs/dbraw/zinc/59/19/87/387591987.db2.gz JLWQBWJCCULNON-UHFFFAOYSA-N 1 0 231.339 3.611 20 0 BHADRO c1c2ccccc2oc1CC[NH2+]C1CCCC1 ZINC000152575675 641614414 /nfs/dbraw/zinc/61/44/14/641614414.db2.gz NOIZXUNLSRDQCL-UHFFFAOYSA-N 1 0 229.323 3.508 20 0 BHADRO CSCCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152589886 201204880 /nfs/dbraw/zinc/20/48/80/201204880.db2.gz QSWGXMWCVDEEBD-KGLIPLIRSA-N 1 0 241.444 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000152589989 346263071 /nfs/dbraw/zinc/26/30/71/346263071.db2.gz QSWGXMWCVDEEBD-KBPBESRZSA-N 1 0 241.444 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152590076 385194215 /nfs/dbraw/zinc/19/42/15/385194215.db2.gz QSWGXMWCVDEEBD-ZIAGYGMSSA-N 1 0 241.444 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000152590177 385193844 /nfs/dbraw/zinc/19/38/44/385193844.db2.gz QSWGXMWCVDEEBD-UONOGXRCSA-N 1 0 241.444 3.712 20 0 BHADRO COc1cc([C@H](C)[NH2+][C@H](C)C(C)C)ccc1F ZINC000152624043 201204575 /nfs/dbraw/zinc/20/45/75/201204575.db2.gz DFLYOAFKDVYVAZ-MNOVXSKESA-N 1 0 239.334 3.529 20 0 BHADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)ccc1F ZINC000152624139 201203751 /nfs/dbraw/zinc/20/37/51/201203751.db2.gz DFLYOAFKDVYVAZ-QWRGUYRKSA-N 1 0 239.334 3.529 20 0 BHADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)ccc1F ZINC000152624248 201204767 /nfs/dbraw/zinc/20/47/67/201204767.db2.gz DFLYOAFKDVYVAZ-GHMZBOCLSA-N 1 0 239.334 3.529 20 0 BHADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)ccc1F ZINC000152624345 201204651 /nfs/dbraw/zinc/20/46/51/201204651.db2.gz DFLYOAFKDVYVAZ-WDEREUQCSA-N 1 0 239.334 3.529 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccccc1)c1nccs1 ZINC000152630232 385198595 /nfs/dbraw/zinc/19/85/95/385198595.db2.gz ZQVFASRUSGYDLK-AWEZNQCLSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccccc1)c1nccs1 ZINC000152630342 171175711 /nfs/dbraw/zinc/17/57/11/171175711.db2.gz ZQVFASRUSGYDLK-CQSZACIVSA-N 1 0 246.379 3.558 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000152747794 201207787 /nfs/dbraw/zinc/20/77/87/201207787.db2.gz WZZGISNUFILROW-WWGRRREGSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000152747898 201207809 /nfs/dbraw/zinc/20/78/09/201207809.db2.gz WZZGISNUFILROW-XEZPLFJOSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000152747996 201207549 /nfs/dbraw/zinc/20/75/49/201207549.db2.gz WZZGISNUFILROW-DVOMOZLQSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000152748105 201207025 /nfs/dbraw/zinc/20/70/25/201207025.db2.gz WZZGISNUFILROW-HEHGZKQESA-N 1 0 247.382 3.640 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000152791694 201209255 /nfs/dbraw/zinc/20/92/55/201209255.db2.gz LCHAYDUDMAMXCI-GRYCIOLGSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000152791809 201209867 /nfs/dbraw/zinc/20/98/67/201209867.db2.gz LCHAYDUDMAMXCI-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000152791915 201208569 /nfs/dbraw/zinc/20/85/69/201208569.db2.gz LCHAYDUDMAMXCI-WOPDTQHZSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000152792028 191071616 /nfs/dbraw/zinc/07/16/16/191071616.db2.gz LCHAYDUDMAMXCI-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000152803582 201210114 /nfs/dbraw/zinc/21/01/14/201210114.db2.gz BXSGMTDRSRBABP-OLZOCXBDSA-N 1 0 237.412 3.869 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000152803670 529195314 /nfs/dbraw/zinc/19/53/14/529195314.db2.gz BXSGMTDRSRBABP-STQMWFEESA-N 1 0 237.412 3.869 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000152803781 201208728 /nfs/dbraw/zinc/20/87/28/201208728.db2.gz BXSGMTDRSRBABP-CHWSQXEVSA-N 1 0 237.412 3.869 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000152803864 201209316 /nfs/dbraw/zinc/20/93/16/201209316.db2.gz BXSGMTDRSRBABP-QWHCGFSZSA-N 1 0 237.412 3.869 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000152804462 387887825 /nfs/dbraw/zinc/88/78/25/387887825.db2.gz MQBRYWRDAFGDDC-MNOVXSKESA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000152804551 387887446 /nfs/dbraw/zinc/88/74/46/387887446.db2.gz MQBRYWRDAFGDDC-QWRGUYRKSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000152804655 387887274 /nfs/dbraw/zinc/88/72/74/387887274.db2.gz MQBRYWRDAFGDDC-GHMZBOCLSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000152804754 170643994 /nfs/dbraw/zinc/64/39/94/170643994.db2.gz MQBRYWRDAFGDDC-WDEREUQCSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000152814206 201209448 /nfs/dbraw/zinc/20/94/48/201209448.db2.gz HGVRFNJZCWKNJL-NEPJUHHUSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000152814312 201209466 /nfs/dbraw/zinc/20/94/66/201209466.db2.gz HGVRFNJZCWKNJL-RYUDHWBXSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000152814413 201208797 /nfs/dbraw/zinc/20/87/97/201208797.db2.gz HGVRFNJZCWKNJL-VXGBXAGGSA-N 1 0 217.422 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000152814511 201209725 /nfs/dbraw/zinc/20/97/25/201209725.db2.gz HGVRFNJZCWKNJL-NWDGAFQWSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152852851 388888828 /nfs/dbraw/zinc/88/88/28/388888828.db2.gz QHWHUNTTYSZKED-RWMBFGLXSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152852960 388888299 /nfs/dbraw/zinc/88/82/99/388888299.db2.gz QHWHUNTTYSZKED-UPJWGTAASA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152853147 388888208 /nfs/dbraw/zinc/88/82/08/388888208.db2.gz QHWHUNTTYSZKED-JHJVBQTASA-N 1 0 233.330 3.619 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000152856626 385220624 /nfs/dbraw/zinc/22/06/24/385220624.db2.gz MVPNEPNOTRUCGJ-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000152856729 201211821 /nfs/dbraw/zinc/21/18/21/201211821.db2.gz MVPNEPNOTRUCGJ-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000152856839 201210660 /nfs/dbraw/zinc/21/06/60/201210660.db2.gz MVPNEPNOTRUCGJ-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000152856944 201211792 /nfs/dbraw/zinc/21/17/92/201211792.db2.gz MVPNEPNOTRUCGJ-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1C ZINC000152859654 325808101 /nfs/dbraw/zinc/80/81/01/325808101.db2.gz NGQWBBTVLPECTC-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1C ZINC000152859874 325808186 /nfs/dbraw/zinc/80/81/86/325808186.db2.gz NGQWBBTVLPECTC-LZWOXQAQSA-N 1 0 247.382 3.522 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000152861026 201212023 /nfs/dbraw/zinc/21/20/23/201212023.db2.gz DDJXAUFEXQSYKQ-PWSUYJOCSA-N 1 0 241.400 3.770 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000152861107 201210592 /nfs/dbraw/zinc/21/05/92/201210592.db2.gz DDJXAUFEXQSYKQ-JQWIXIFHSA-N 1 0 241.400 3.770 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000152861210 201210989 /nfs/dbraw/zinc/21/09/89/201210989.db2.gz DDJXAUFEXQSYKQ-ZYHUDNBSSA-N 1 0 241.400 3.770 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000152861321 201210762 /nfs/dbraw/zinc/21/07/62/201210762.db2.gz DDJXAUFEXQSYKQ-CMPLNLGQSA-N 1 0 241.400 3.770 20 0 BHADRO Fc1cccc(C2([NH2+]Cc3ccccc3)CC2)c1 ZINC000152862446 385219388 /nfs/dbraw/zinc/21/93/88/385219388.db2.gz LCRQKYMSXBKXRU-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO Fc1cccc(C2([NH2+]Cc3cccs3)CC2)c1 ZINC000152862839 385217850 /nfs/dbraw/zinc/21/78/50/385217850.db2.gz OKERCYFSBJVQLX-UHFFFAOYSA-N 1 0 247.338 3.666 20 0 BHADRO Fc1cccc(C2([NH2+]Cc3ccsc3)CC2)c1 ZINC000152863105 180995346 /nfs/dbraw/zinc/99/53/46/180995346.db2.gz FCQJIKZKEVIARJ-UHFFFAOYSA-N 1 0 247.338 3.666 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152915507 388894561 /nfs/dbraw/zinc/89/45/61/388894561.db2.gz XAGXDBKOMDLBEI-FPMFFAJLSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152915600 388893945 /nfs/dbraw/zinc/89/39/45/388893945.db2.gz XAGXDBKOMDLBEI-BNOWGMLFSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152915799 388894694 /nfs/dbraw/zinc/89/46/94/388894694.db2.gz XAGXDBKOMDLBEI-MRVWCRGKSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1cccnc1 ZINC000152917245 325816948 /nfs/dbraw/zinc/81/69/48/325816948.db2.gz NBCSESLFRQMBPA-ZDUSSCGKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1cccnc1 ZINC000152917344 325816854 /nfs/dbraw/zinc/81/68/54/325816854.db2.gz NBCSESLFRQMBPA-CYBMUJFWSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ccncc1 ZINC000152919985 325818313 /nfs/dbraw/zinc/81/83/13/325818313.db2.gz PCFOPKBIXCTUNB-ZDUSSCGKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ccncc1 ZINC000152920088 325818345 /nfs/dbraw/zinc/81/83/45/325818345.db2.gz PCFOPKBIXCTUNB-CYBMUJFWSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000152934689 201214240 /nfs/dbraw/zinc/21/42/40/201214240.db2.gz AEIODPRYGXTHQO-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000152934919 201213727 /nfs/dbraw/zinc/21/37/27/201213727.db2.gz AEIODPRYGXTHQO-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO COCCCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000152949730 174204012 /nfs/dbraw/zinc/20/40/12/174204012.db2.gz DYQKPRWEQHUCGM-HIFRSBDPSA-N 1 0 247.382 3.560 20 0 BHADRO COCCCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000152949830 174203986 /nfs/dbraw/zinc/20/39/86/174203986.db2.gz DYQKPRWEQHUCGM-ZFWWWQNUSA-N 1 0 247.382 3.560 20 0 BHADRO COCCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152949914 174202684 /nfs/dbraw/zinc/20/26/84/174202684.db2.gz DYQKPRWEQHUCGM-UKRRQHHQSA-N 1 0 247.382 3.560 20 0 BHADRO COCCCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000152950017 174202687 /nfs/dbraw/zinc/20/26/87/174202687.db2.gz DYQKPRWEQHUCGM-DZGCQCFKSA-N 1 0 247.382 3.560 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000152955020 362895417 /nfs/dbraw/zinc/89/54/17/362895417.db2.gz OFHSTXWDVOFVRT-LBPRGKRZSA-N 1 0 237.412 3.696 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000152955110 362895494 /nfs/dbraw/zinc/89/54/94/362895494.db2.gz OFHSTXWDVOFVRT-GFCCVEGCSA-N 1 0 237.412 3.696 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccnc(Cl)c1 ZINC000152960963 641673945 /nfs/dbraw/zinc/67/39/45/641673945.db2.gz QGFSVZWCNJYRPC-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2)o1 ZINC000152972822 385228988 /nfs/dbraw/zinc/22/89/88/385228988.db2.gz YIEXZOHUIMZQPV-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2)o1 ZINC000152972933 385228871 /nfs/dbraw/zinc/22/88/71/385228871.db2.gz YIEXZOHUIMZQPV-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C1CCCCC1 ZINC000152982272 641683914 /nfs/dbraw/zinc/68/39/14/641683914.db2.gz VWNKVUIGCJLXLR-NSHDSACASA-N 1 0 229.433 3.829 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C1CCCCC1 ZINC000152982373 641682848 /nfs/dbraw/zinc/68/28/48/641682848.db2.gz VWNKVUIGCJLXLR-LLVKDONJSA-N 1 0 229.433 3.829 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccnc(Cl)c1 ZINC000152990217 641687276 /nfs/dbraw/zinc/68/72/76/641687276.db2.gz SHLBRVIQAJWTCR-JTQLQIEISA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccnc(Cl)c1 ZINC000152990345 641687687 /nfs/dbraw/zinc/68/76/87/641687687.db2.gz SHLBRVIQAJWTCR-SNVBAGLBSA-N 1 0 238.762 3.718 20 0 BHADRO Cc1cccc(NC2CC[NH+](CC(C)C)CC2)c1 ZINC000152999146 191183464 /nfs/dbraw/zinc/18/34/64/191183464.db2.gz KRZKRZQKMCXICA-UHFFFAOYSA-N 1 0 246.398 3.527 20 0 BHADRO C[C@@H](CCSc1ccccc1)[NH+]1CCCC1 ZINC000153032084 201217121 /nfs/dbraw/zinc/21/71/21/201217121.db2.gz ZHQSWVFSPIIMEK-ZDUSSCGKSA-N 1 0 235.396 3.653 20 0 BHADRO C[C@H](CCSc1ccccc1)[NH+]1CCCC1 ZINC000153032186 201217914 /nfs/dbraw/zinc/21/79/14/201217914.db2.gz ZHQSWVFSPIIMEK-CYBMUJFWSA-N 1 0 235.396 3.653 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000153117556 323049868 /nfs/dbraw/zinc/04/98/68/323049868.db2.gz HWEHJFFRMYPTOU-LLVKDONJSA-N 1 0 209.358 3.513 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000153117637 388941637 /nfs/dbraw/zinc/94/16/37/388941637.db2.gz HWEHJFFRMYPTOU-NSHDSACASA-N 1 0 209.358 3.513 20 0 BHADRO C[N@H+](Cc1cccs1)C1CCCCC1 ZINC000153118601 201221801 /nfs/dbraw/zinc/22/18/01/201221801.db2.gz DOPWCGPMKDPJQF-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000153218104 201229944 /nfs/dbraw/zinc/22/99/44/201229944.db2.gz DINBGSBXTPJEGF-WDEREUQCSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000153218186 201228566 /nfs/dbraw/zinc/22/85/66/201228566.db2.gz DINBGSBXTPJEGF-QWRGUYRKSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000153218278 201228613 /nfs/dbraw/zinc/22/86/13/201228613.db2.gz DINBGSBXTPJEGF-GHMZBOCLSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000153218381 201229348 /nfs/dbraw/zinc/22/93/48/201229348.db2.gz DINBGSBXTPJEGF-MNOVXSKESA-N 1 0 245.288 3.987 20 0 BHADRO c1csc(C[NH+]2CCCCCCC2)c1 ZINC000153219114 641735557 /nfs/dbraw/zinc/73/55/57/641735557.db2.gz SIZMHLJLZLURPT-UHFFFAOYSA-N 1 0 209.358 3.514 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000153221998 344838809 /nfs/dbraw/zinc/83/88/09/344838809.db2.gz BUMQPQGNLWYDMN-ZNMIVQPWSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000153222093 344838766 /nfs/dbraw/zinc/83/87/66/344838766.db2.gz BUMQPQGNLWYDMN-KKUMJFAQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000153222216 134527430 /nfs/dbraw/zinc/52/74/30/134527430.db2.gz BUMQPQGNLWYDMN-KFWWJZLASA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000153222316 344838872 /nfs/dbraw/zinc/83/88/72/344838872.db2.gz BUMQPQGNLWYDMN-ILXRZTDVSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCC(F)(F)F ZINC000153261560 388957522 /nfs/dbraw/zinc/95/75/22/388957522.db2.gz WQNSWUOQPWHWRR-PHIMTYICSA-N 1 0 237.309 3.982 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCCCC(F)(F)F ZINC000153261655 325932764 /nfs/dbraw/zinc/93/27/64/325932764.db2.gz WQNSWUOQPWHWRR-QWRGUYRKSA-N 1 0 237.309 3.982 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCC(F)(F)F ZINC000153261759 388957204 /nfs/dbraw/zinc/95/72/04/388957204.db2.gz WQNSWUOQPWHWRR-GHMZBOCLSA-N 1 0 237.309 3.982 20 0 BHADRO CC[C@H]([NH2+]Cc1csc(C(C)C)n1)C1CC1 ZINC000153292761 538564805 /nfs/dbraw/zinc/56/48/05/538564805.db2.gz XCAUWDDIZMBDQI-LBPRGKRZSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H]([NH2+]Cc1csc(C(C)C)n1)C1CC1 ZINC000153292887 538565165 /nfs/dbraw/zinc/56/51/65/538565165.db2.gz XCAUWDDIZMBDQI-GFCCVEGCSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153337201 387889376 /nfs/dbraw/zinc/88/93/76/387889376.db2.gz ZHQJYXDLXIQAKH-RYUDHWBXSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153337315 387888418 /nfs/dbraw/zinc/88/84/18/387888418.db2.gz ZHQJYXDLXIQAKH-NEPJUHHUSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000153337428 187295117 /nfs/dbraw/zinc/29/51/17/187295117.db2.gz ZHQJYXDLXIQAKH-NWDGAFQWSA-N 1 0 238.400 3.929 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCCC(F)(F)F ZINC000153408690 323051074 /nfs/dbraw/zinc/05/10/74/323051074.db2.gz NDZWFYGXHGQEEZ-SNVBAGLBSA-N 1 0 225.298 3.697 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCCC(F)(F)F ZINC000153408797 323051084 /nfs/dbraw/zinc/05/10/84/323051084.db2.gz NDZWFYGXHGQEEZ-JTQLQIEISA-N 1 0 225.298 3.697 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000153466671 388976315 /nfs/dbraw/zinc/97/63/15/388976315.db2.gz ISSRHQGQPCBXCT-IPYPFGDCSA-N 1 0 247.382 3.558 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000153466765 325969141 /nfs/dbraw/zinc/96/91/41/325969141.db2.gz ISSRHQGQPCBXCT-YDHLFZDLSA-N 1 0 247.382 3.558 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000153466847 388976800 /nfs/dbraw/zinc/97/68/00/388976800.db2.gz ISSRHQGQPCBXCT-VNHYZAJKSA-N 1 0 247.382 3.558 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000153466956 388976496 /nfs/dbraw/zinc/97/64/96/388976496.db2.gz ISSRHQGQPCBXCT-KCQAQPDRSA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153468581 134636941 /nfs/dbraw/zinc/63/69/41/134636941.db2.gz FKYPDXZNSMXFAC-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153468697 344884608 /nfs/dbraw/zinc/88/46/08/344884608.db2.gz FKYPDXZNSMXFAC-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CSc1cc(C)ccc1C[NH2+]Cc1ccco1 ZINC000153478757 385258150 /nfs/dbraw/zinc/25/81/50/385258150.db2.gz MOLZBKMCINTXIF-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000153490642 388979392 /nfs/dbraw/zinc/97/93/92/388979392.db2.gz KVSCVQFEOOHZJQ-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000153490731 388979440 /nfs/dbraw/zinc/97/94/40/388979440.db2.gz KVSCVQFEOOHZJQ-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000153537321 326100940 /nfs/dbraw/zinc/10/09/40/326100940.db2.gz IAMSGFJKWCKECX-CQSZACIVSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000153537405 326101460 /nfs/dbraw/zinc/10/14/60/326101460.db2.gz IAMSGFJKWCKECX-AWEZNQCLSA-N 1 0 247.363 3.987 20 0 BHADRO c1cnc2c(c1)cccc2C[NH2+]CCC1CCC1 ZINC000153552518 641818635 /nfs/dbraw/zinc/81/86/35/641818635.db2.gz BPRYXEDZCYCNSZ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)nc1 ZINC000153553094 326101690 /nfs/dbraw/zinc/10/16/90/326101690.db2.gz MHUFYXQHGWUEAG-FMKPAKJESA-N 1 0 244.382 3.543 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000153553449 385265533 /nfs/dbraw/zinc/26/55/33/385265533.db2.gz HBAQKJDCYMJTFJ-CYBMUJFWSA-N 1 0 233.336 3.678 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000153553570 385265050 /nfs/dbraw/zinc/26/50/50/385265050.db2.gz HBAQKJDCYMJTFJ-ZDUSSCGKSA-N 1 0 233.336 3.678 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000153555255 326101915 /nfs/dbraw/zinc/10/19/15/326101915.db2.gz NMRNECKXBODKIG-CYBMUJFWSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000153555363 326101805 /nfs/dbraw/zinc/10/18/05/326101805.db2.gz NMRNECKXBODKIG-ZDUSSCGKSA-N 1 0 247.363 3.987 20 0 BHADRO CC1(C)CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000153597087 326103247 /nfs/dbraw/zinc/10/32/47/326103247.db2.gz BIPUUJVSYJWRFI-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CC[N@H+](Cc1ccc(COC)cc1)C1CCCC1 ZINC000153670413 326106187 /nfs/dbraw/zinc/10/61/87/326106187.db2.gz KCFWUDBKBIHLJL-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO CC[N@H+](Cc1ccsc1)C1CCCC1 ZINC000153681891 326107407 /nfs/dbraw/zinc/10/74/07/326107407.db2.gz IFUFKEVSIKVIDK-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO CC[N@H+](Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000153682913 326107824 /nfs/dbraw/zinc/10/78/24/326107824.db2.gz BVQVXCKDAZLQKX-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CC[N@@H+](Cc1cnc(C(C)C)s1)CC(C)C ZINC000153687908 323052777 /nfs/dbraw/zinc/05/27/77/323052777.db2.gz VWFUIHVZMHXVRC-UHFFFAOYSA-N 1 0 240.416 3.744 20 0 BHADRO CC[N@@H+](Cc1ccc2ncccc2c1)CC(C)C ZINC000153690879 326107810 /nfs/dbraw/zinc/10/78/10/326107810.db2.gz AFDIPFARZHEFMC-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO C[N@H+](Cc1ccccc1OC1CCCC1)C1CC1 ZINC000153755611 326111761 /nfs/dbraw/zinc/11/17/61/326111761.db2.gz KWTRGMIAOSDNQW-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO C[N@H+](Cc1cccc(OC2CCCC2)c1)C1CC1 ZINC000153760543 326112082 /nfs/dbraw/zinc/11/20/82/326112082.db2.gz GYMFWKRQSTUSPO-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000153767477 326112069 /nfs/dbraw/zinc/11/20/69/326112069.db2.gz LUJSUPCPKSAEFL-UHFFFAOYSA-N 1 0 230.138 3.588 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000153788518 344977350 /nfs/dbraw/zinc/97/73/50/344977350.db2.gz YDYODMTYPQISPZ-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cn1 ZINC000153788618 344977478 /nfs/dbraw/zinc/97/74/78/344977478.db2.gz YDYODMTYPQISPZ-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)cn1 ZINC000153803538 344981109 /nfs/dbraw/zinc/98/11/09/344981109.db2.gz NAEJBSILJSXJKO-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)cn1 ZINC000153803657 344981254 /nfs/dbraw/zinc/98/12/54/344981254.db2.gz NAEJBSILJSXJKO-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153834045 170753096 /nfs/dbraw/zinc/75/30/96/170753096.db2.gz NUEDRGGYJFCKSG-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153834091 171341377 /nfs/dbraw/zinc/34/13/77/171341377.db2.gz NUEDRGGYJFCKSG-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000153834212 170753078 /nfs/dbraw/zinc/75/30/78/170753078.db2.gz NUEDRGGYJFCKSG-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000153834336 171342513 /nfs/dbraw/zinc/34/25/13/171342513.db2.gz NUEDRGGYJFCKSG-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000153845725 641901960 /nfs/dbraw/zinc/90/19/60/641901960.db2.gz AAXSMJCUIIIUEY-IMJJTQAJSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000153845929 641902462 /nfs/dbraw/zinc/90/24/62/641902462.db2.gz AAXSMJCUIIIUEY-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)cn1 ZINC000153849283 344986666 /nfs/dbraw/zinc/98/66/66/344986666.db2.gz OVZYNLSPAYGVNY-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000153876985 201250880 /nfs/dbraw/zinc/25/08/80/201250880.db2.gz IBCOAEVBTWUWTO-NSHDSACASA-N 1 0 209.333 3.709 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](C)c1ccco1 ZINC000153877148 201250018 /nfs/dbraw/zinc/25/00/18/201250018.db2.gz IBCOAEVBTWUWTO-LLVKDONJSA-N 1 0 209.333 3.709 20 0 BHADRO CCCO[C@@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC000153883229 201252813 /nfs/dbraw/zinc/25/28/13/201252813.db2.gz FZOPPSYTKBTKIK-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CCCO[C@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC000153883338 201251832 /nfs/dbraw/zinc/25/18/32/201251832.db2.gz FZOPPSYTKBTKIK-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(CC)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000153898587 344995644 /nfs/dbraw/zinc/99/56/44/344995644.db2.gz YEHDTIQBAFHVLF-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000153900754 168347539 /nfs/dbraw/zinc/34/75/39/168347539.db2.gz IMDBSMOBAPLJIB-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000153900831 168348323 /nfs/dbraw/zinc/34/83/23/168348323.db2.gz IMDBSMOBAPLJIB-GFCCVEGCSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000153900958 168346246 /nfs/dbraw/zinc/34/62/46/168346246.db2.gz KPCHLTIPEMEFNU-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000153901061 168348807 /nfs/dbraw/zinc/34/88/07/168348807.db2.gz KPCHLTIPEMEFNU-GFCCVEGCSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H](C)c1ccccn1 ZINC000153901202 326118412 /nfs/dbraw/zinc/11/84/12/326118412.db2.gz SJXBGTKYEXIMOQ-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H](C)c1ccccn1 ZINC000153901311 326118707 /nfs/dbraw/zinc/11/87/07/326118707.db2.gz SJXBGTKYEXIMOQ-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000153901566 323920621 /nfs/dbraw/zinc/92/06/21/323920621.db2.gz WUXLHUDJAYWEJA-GZBFAFLISA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000153901783 326118936 /nfs/dbraw/zinc/11/89/36/326118936.db2.gz WUXLHUDJAYWEJA-GUTXKFCHSA-N 1 0 247.382 3.558 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000153905489 201252462 /nfs/dbraw/zinc/25/24/62/201252462.db2.gz SYPLYHLFFCUJAN-CQSZACIVSA-N 1 0 220.360 3.588 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000153905606 201251681 /nfs/dbraw/zinc/25/16/81/201251681.db2.gz SYPLYHLFFCUJAN-AWEZNQCLSA-N 1 0 220.360 3.588 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C(C)(C)C ZINC000153919610 326120016 /nfs/dbraw/zinc/12/00/16/326120016.db2.gz COFRAJZGDRMVRX-JTQLQIEISA-N 1 0 241.325 3.532 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C(C)(C)C ZINC000153919690 326118409 /nfs/dbraw/zinc/11/84/09/326118409.db2.gz COFRAJZGDRMVRX-SNVBAGLBSA-N 1 0 241.325 3.532 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000153924788 326120794 /nfs/dbraw/zinc/12/07/94/326120794.db2.gz DNVKIASFYGYDNC-MRXNPFEDSA-N 1 0 246.398 3.963 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000153924898 326120751 /nfs/dbraw/zinc/12/07/51/326120751.db2.gz DNVKIASFYGYDNC-INIZCTEOSA-N 1 0 246.398 3.963 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153925647 345002894 /nfs/dbraw/zinc/00/28/94/345002894.db2.gz FZACFQNFPQHYGD-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153925755 345002495 /nfs/dbraw/zinc/00/24/95/345002495.db2.gz FZACFQNFPQHYGD-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1nc2ccccc2o1 ZINC000153930463 326120615 /nfs/dbraw/zinc/12/06/15/326120615.db2.gz APEDIIAYOUIWLI-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO CCCCCC[N@H+](C)Cc1nc2ccccc2o1 ZINC000153931023 641926965 /nfs/dbraw/zinc/92/69/65/641926965.db2.gz LBJYLYFFCBIQNH-UHFFFAOYSA-N 1 0 246.354 3.840 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1c(C)noc1C ZINC000153952956 345006219 /nfs/dbraw/zinc/00/62/19/345006219.db2.gz RPXGXUYNBNJTQQ-QMTHXVAHSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1c(C)noc1C ZINC000153953049 345006217 /nfs/dbraw/zinc/00/62/17/345006217.db2.gz RPXGXUYNBNJTQQ-IINYFYTJSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1c(C)noc1C ZINC000153953151 345006210 /nfs/dbraw/zinc/00/62/10/345006210.db2.gz RPXGXUYNBNJTQQ-YGRLFVJLSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1c(C)noc1C ZINC000153953246 345006762 /nfs/dbraw/zinc/00/67/62/345006762.db2.gz RPXGXUYNBNJTQQ-HZMBPMFUSA-N 1 0 238.375 3.596 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cn1 ZINC000153957941 345003402 /nfs/dbraw/zinc/00/34/02/345003402.db2.gz GMRAIVQUWZPXEJ-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccco1)c1cccc(Cl)c1 ZINC000153969130 326122898 /nfs/dbraw/zinc/12/28/98/326122898.db2.gz KQCGAKQVNLVRQY-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H](C[NH2+]Cc1ccco1)c1cccc(Cl)c1 ZINC000153969246 326121842 /nfs/dbraw/zinc/12/18/42/326121842.db2.gz KQCGAKQVNLVRQY-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+]C2CCCC2)c1 ZINC000153977274 641934903 /nfs/dbraw/zinc/93/49/03/641934903.db2.gz OHKFDWLLJKPTOK-ZDUSSCGKSA-N 1 0 217.356 3.631 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+]C2CCCC2)c1 ZINC000153977370 641935539 /nfs/dbraw/zinc/93/55/39/641935539.db2.gz OHKFDWLLJKPTOK-CYBMUJFWSA-N 1 0 217.356 3.631 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153982356 345004459 /nfs/dbraw/zinc/00/44/59/345004459.db2.gz XCYVQCQYIGEXCE-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153982481 345004536 /nfs/dbraw/zinc/00/45/36/345004536.db2.gz XCYVQCQYIGEXCE-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004036 201255613 /nfs/dbraw/zinc/25/56/13/201255613.db2.gz UWSOBKBJPNVFOT-ZJUUUORDSA-N 1 0 240.416 3.890 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004168 201254601 /nfs/dbraw/zinc/25/46/01/201254601.db2.gz UWSOBKBJPNVFOT-UWVGGRQHSA-N 1 0 240.416 3.890 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004282 201254909 /nfs/dbraw/zinc/25/49/09/201254909.db2.gz UWSOBKBJPNVFOT-NXEZZACHSA-N 1 0 240.416 3.890 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004410 201255725 /nfs/dbraw/zinc/25/57/25/201255725.db2.gz UWSOBKBJPNVFOT-VHSXEESVSA-N 1 0 240.416 3.890 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000154017145 326125031 /nfs/dbraw/zinc/12/50/31/326125031.db2.gz IHFUARMVRRASIT-ZDUSSCGKSA-N 1 0 225.282 3.512 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000154017215 326124898 /nfs/dbraw/zinc/12/48/98/326124898.db2.gz IHFUARMVRRASIT-CYBMUJFWSA-N 1 0 225.282 3.512 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000154028561 385299543 /nfs/dbraw/zinc/29/95/43/385299543.db2.gz YKROKTDXTRBPNQ-CQSZACIVSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000154028657 385298793 /nfs/dbraw/zinc/29/87/93/385298793.db2.gz YKROKTDXTRBPNQ-AWEZNQCLSA-N 1 0 232.371 3.655 20 0 BHADRO CCCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000154126249 326132070 /nfs/dbraw/zinc/13/20/70/326132070.db2.gz MULLUXFTJBKVTP-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCC(F)(F)F)[C@H](C)C1 ZINC000154146926 201265211 /nfs/dbraw/zinc/26/52/11/201265211.db2.gz NJXWBSLVQBILGA-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000154149280 326132925 /nfs/dbraw/zinc/13/29/25/326132925.db2.gz UEWBPIOJFHQWEU-HIFRSBDPSA-N 1 0 234.387 3.511 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000154149365 326132927 /nfs/dbraw/zinc/13/29/27/326132927.db2.gz UEWBPIOJFHQWEU-ZFWWWQNUSA-N 1 0 234.387 3.511 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000154149483 326132654 /nfs/dbraw/zinc/13/26/54/326132654.db2.gz UEWBPIOJFHQWEU-UKRRQHHQSA-N 1 0 234.387 3.511 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000154149599 326132657 /nfs/dbraw/zinc/13/26/57/326132657.db2.gz UEWBPIOJFHQWEU-DZGCQCFKSA-N 1 0 234.387 3.511 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000154187801 641978497 /nfs/dbraw/zinc/97/84/97/641978497.db2.gz WJIKNPQQNKOGNW-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cccnc1Cl ZINC000154187924 641978754 /nfs/dbraw/zinc/97/87/54/641978754.db2.gz WJIKNPQQNKOGNW-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000154206389 641981298 /nfs/dbraw/zinc/98/12/98/641981298.db2.gz SAAQEHGTHSRTEX-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000154206496 641981527 /nfs/dbraw/zinc/98/15/27/641981527.db2.gz SAAQEHGTHSRTEX-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000154209041 387897198 /nfs/dbraw/zinc/89/71/98/387897198.db2.gz KYMUCGANMIBKRR-SNVBAGLBSA-N 1 0 243.441 3.849 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000154209133 387898158 /nfs/dbraw/zinc/89/81/58/387898158.db2.gz KYMUCGANMIBKRR-JTQLQIEISA-N 1 0 243.441 3.849 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000154221179 641985501 /nfs/dbraw/zinc/98/55/01/641985501.db2.gz QYJFVFROQKSGHH-AWEZNQCLSA-N 1 0 249.423 3.714 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000154221280 632830698 /nfs/dbraw/zinc/83/06/98/632830698.db2.gz QYJFVFROQKSGHH-CQSZACIVSA-N 1 0 249.423 3.714 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000154226684 537888139 /nfs/dbraw/zinc/88/81/39/537888139.db2.gz BGUFGZKVRLMDFH-LBPRGKRZSA-N 1 0 237.391 3.551 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000154226807 541354397 /nfs/dbraw/zinc/35/43/97/541354397.db2.gz BGUFGZKVRLMDFH-GFCCVEGCSA-N 1 0 237.391 3.551 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1cccs1 ZINC000154229327 175443158 /nfs/dbraw/zinc/44/31/58/175443158.db2.gz FEIRRWVJCOXRDF-VIFPVBQESA-N 1 0 229.414 3.540 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1cccs1 ZINC000154229432 387897190 /nfs/dbraw/zinc/89/71/90/387897190.db2.gz FEIRRWVJCOXRDF-SECBINFHSA-N 1 0 229.414 3.540 20 0 BHADRO Cc1ccc(C[NH+](CC(C)C)CC(C)C)nc1 ZINC000154235287 326136370 /nfs/dbraw/zinc/13/63/70/326136370.db2.gz HVONXZSGTITJEX-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO CC1CC[NH+](CCSc2cccs2)CC1 ZINC000154239835 326136654 /nfs/dbraw/zinc/13/66/54/326136654.db2.gz BYCABOZCSBNBOT-UHFFFAOYSA-N 1 0 241.425 3.572 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000154244888 641989111 /nfs/dbraw/zinc/98/91/11/641989111.db2.gz WDCYJFSPJLBRMR-BXUZGUMPSA-N 1 0 249.423 3.651 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000154244965 641989858 /nfs/dbraw/zinc/98/98/58/641989858.db2.gz WDCYJFSPJLBRMR-SMDDNHRTSA-N 1 0 249.423 3.651 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000154245061 641989647 /nfs/dbraw/zinc/98/96/47/641989647.db2.gz WDCYJFSPJLBRMR-RISCZKNCSA-N 1 0 249.423 3.651 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000154245159 641989825 /nfs/dbraw/zinc/98/98/25/641989825.db2.gz WDCYJFSPJLBRMR-FZMZJTMJSA-N 1 0 249.423 3.651 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC=CC1 ZINC000154246723 537915766 /nfs/dbraw/zinc/91/57/66/537915766.db2.gz DFQYIUQZGFJYEU-DOMZBBRYSA-N 1 0 227.351 3.852 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CC=CC1 ZINC000154246835 537915552 /nfs/dbraw/zinc/91/55/52/537915552.db2.gz DFQYIUQZGFJYEU-WFASDCNBSA-N 1 0 227.351 3.852 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC=CC1 ZINC000154246944 537915938 /nfs/dbraw/zinc/91/59/38/537915938.db2.gz DFQYIUQZGFJYEU-IUODEOHRSA-N 1 0 227.351 3.852 20 0 BHADRO Cc1ccsc1[C@H](C)Nc1ccc(C)nc1 ZINC000154246970 385312644 /nfs/dbraw/zinc/31/26/44/385312644.db2.gz GDJKCIRISDQNLK-NSHDSACASA-N 1 0 232.352 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CC=CC1 ZINC000154247028 537915892 /nfs/dbraw/zinc/91/58/92/537915892.db2.gz DFQYIUQZGFJYEU-SWLSCSKDSA-N 1 0 227.351 3.852 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)SC)c1cccs1 ZINC000154249132 641993638 /nfs/dbraw/zinc/99/36/38/641993638.db2.gz HXYMSEMTASJOMS-JTQLQIEISA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)SC)c1cccs1 ZINC000154249245 637033714 /nfs/dbraw/zinc/03/37/14/637033714.db2.gz HXYMSEMTASJOMS-SNVBAGLBSA-N 1 0 243.441 3.930 20 0 BHADRO Cc1ccc([C@H](C)Nc2ccc(C)nc2)s1 ZINC000154251195 345025043 /nfs/dbraw/zinc/02/50/43/345025043.db2.gz XEDOROGWHLOZHK-NSHDSACASA-N 1 0 232.352 3.933 20 0 BHADRO Cc1ccc([C@@H](C)Nc2ccc(C)nc2)s1 ZINC000154251290 345025050 /nfs/dbraw/zinc/02/50/50/345025050.db2.gz XEDOROGWHLOZHK-LLVKDONJSA-N 1 0 232.352 3.933 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1sccc1C ZINC000154251624 387897208 /nfs/dbraw/zinc/89/72/08/387897208.db2.gz MUJXTQRAMXGSPJ-SNVBAGLBSA-N 1 0 243.441 3.849 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1sccc1C ZINC000154251727 387897217 /nfs/dbraw/zinc/89/72/17/387897217.db2.gz MUJXTQRAMXGSPJ-JTQLQIEISA-N 1 0 243.441 3.849 20 0 BHADRO Clc1ccc(C2CC([NH2+]C3CC=CC3)C2)cc1 ZINC000154261437 641996458 /nfs/dbraw/zinc/99/64/58/641996458.db2.gz OALIWQAAIZWRET-UHFFFAOYSA-N 1 0 247.769 3.894 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)CCC(C)C ZINC000154282178 642011886 /nfs/dbraw/zinc/01/18/86/642011886.db2.gz OCLZRKAZEBKBFY-LLVKDONJSA-N 1 0 217.422 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)CCC(C)C ZINC000154282270 642011370 /nfs/dbraw/zinc/01/13/70/642011370.db2.gz OCLZRKAZEBKBFY-NSHDSACASA-N 1 0 217.422 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000154309752 642029566 /nfs/dbraw/zinc/02/95/66/642029566.db2.gz QUUPCAGTDSKZSP-GFCCVEGCSA-N 1 0 237.412 3.787 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000154309875 642031240 /nfs/dbraw/zinc/03/12/40/642031240.db2.gz QUUPCAGTDSKZSP-LBPRGKRZSA-N 1 0 237.412 3.787 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000154350980 326140883 /nfs/dbraw/zinc/14/08/83/326140883.db2.gz QTQUUXFCQFYKSF-VXGBXAGGSA-N 1 0 249.320 3.984 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000154351066 323180647 /nfs/dbraw/zinc/18/06/47/323180647.db2.gz QTQUUXFCQFYKSF-NWDGAFQWSA-N 1 0 249.320 3.984 20 0 BHADRO CCCCC[N@H+](Cc1cncs1)C(C)C ZINC000154351069 385320352 /nfs/dbraw/zinc/32/03/52/385320352.db2.gz CWJGIGRDXLIWGG-UHFFFAOYSA-N 1 0 226.389 3.544 20 0 BHADRO CCCCC[N@H+](Cc1cccnc1C)C(C)C ZINC000154361846 326141314 /nfs/dbraw/zinc/14/13/14/326141314.db2.gz MQCPPNUEEVYDES-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO CCCCC[N@H+](Cc1scnc1C)C(C)C ZINC000154362869 326141441 /nfs/dbraw/zinc/14/14/41/326141441.db2.gz VAMPDVPQVRISTP-UHFFFAOYSA-N 1 0 240.416 3.852 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000154383345 326141594 /nfs/dbraw/zinc/14/15/94/326141594.db2.gz AHYZXSSYPPTCAD-AWEZNQCLSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000154383451 326142163 /nfs/dbraw/zinc/14/21/63/326142163.db2.gz AHYZXSSYPPTCAD-CQSZACIVSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154408845 326142933 /nfs/dbraw/zinc/14/29/33/326142933.db2.gz QBZQNTITYNHOQT-ZDUSSCGKSA-N 1 0 233.355 3.617 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154408962 326143027 /nfs/dbraw/zinc/14/30/27/326143027.db2.gz QBZQNTITYNHOQT-CYBMUJFWSA-N 1 0 233.355 3.617 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154416950 384626776 /nfs/dbraw/zinc/62/67/76/384626776.db2.gz ZNZYVOYAEQTMQM-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154417054 387898443 /nfs/dbraw/zinc/89/84/43/387898443.db2.gz ZNZYVOYAEQTMQM-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000154429460 711669191 /nfs/dbraw/zinc/66/91/91/711669191.db2.gz LHHCTYYRPBHBSJ-ZDUSSCGKSA-N 1 0 247.382 3.549 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000154429574 642081919 /nfs/dbraw/zinc/08/19/19/642081919.db2.gz LHHCTYYRPBHBSJ-CYBMUJFWSA-N 1 0 247.382 3.549 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000154434620 345036753 /nfs/dbraw/zinc/03/67/53/345036753.db2.gz BMYBZLRNHUTFHQ-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000154434738 345037011 /nfs/dbraw/zinc/03/70/11/345037011.db2.gz BMYBZLRNHUTFHQ-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000154438073 201277930 /nfs/dbraw/zinc/27/79/30/201277930.db2.gz HTCYRBPPABDAPB-MNOVXSKESA-N 1 0 211.374 3.787 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000154438191 201277632 /nfs/dbraw/zinc/27/76/32/201277632.db2.gz HTCYRBPPABDAPB-QWRGUYRKSA-N 1 0 211.374 3.787 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cccc(O)c2)c1 ZINC000154457705 179183456 /nfs/dbraw/zinc/18/34/56/179183456.db2.gz QGQHTXKRGOMTJQ-CYBMUJFWSA-N 1 0 241.334 3.551 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cccc(O)c2)c1 ZINC000154457812 179195840 /nfs/dbraw/zinc/19/58/40/179195840.db2.gz QGQHTXKRGOMTJQ-ZDUSSCGKSA-N 1 0 241.334 3.551 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000154568146 326151365 /nfs/dbraw/zinc/15/13/65/326151365.db2.gz MLNRYXAGYNDQFQ-SNVBAGLBSA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000154568255 326151071 /nfs/dbraw/zinc/15/10/71/326151071.db2.gz MLNRYXAGYNDQFQ-JTQLQIEISA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000154578527 326151878 /nfs/dbraw/zinc/15/18/78/326151878.db2.gz HYSAKGUTWMDBPB-LLVKDONJSA-N 1 0 247.338 3.672 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000154578634 326151591 /nfs/dbraw/zinc/15/15/91/326151591.db2.gz HYSAKGUTWMDBPB-NSHDSACASA-N 1 0 247.338 3.672 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC000154579108 326151797 /nfs/dbraw/zinc/15/17/97/326151797.db2.gz KFXNCXONFFKUNW-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC000154579200 326151910 /nfs/dbraw/zinc/15/19/10/326151910.db2.gz KFXNCXONFFKUNW-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO CN(CCCC1CCCC1)Cc1cscn1 ZINC000154592755 345043293 /nfs/dbraw/zinc/04/32/93/345043293.db2.gz MGAFQKQYKNBVOY-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ncccc1C ZINC000154628949 385343436 /nfs/dbraw/zinc/34/34/36/385343436.db2.gz MXLYZWROFMLWEK-AWEZNQCLSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ncccc1C ZINC000154629063 385343706 /nfs/dbraw/zinc/34/37/06/385343706.db2.gz MXLYZWROFMLWEK-CQSZACIVSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)[N@H+](Cc1cncs1)Cc1ccccc1 ZINC000154667187 206065164 /nfs/dbraw/zinc/06/51/64/206065164.db2.gz AFAMMVGVXWYTON-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO CCC[N@@H+](Cc1cccc2[nH]ccc21)CC1CC1 ZINC000154689120 206066415 /nfs/dbraw/zinc/06/64/15/206066415.db2.gz WMRSAHUTYFBPFA-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC2(CCCC2)C1 ZINC000154691157 642183857 /nfs/dbraw/zinc/18/38/57/642183857.db2.gz JAIHJTUUPBXFBQ-UHFFFAOYSA-N 1 0 249.320 3.985 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCCCC(F)(F)F)C1 ZINC000154737704 326162653 /nfs/dbraw/zinc/16/26/53/326162653.db2.gz ITVSYJNZNDZNDQ-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCCCC(F)(F)F)C1 ZINC000154737815 326162534 /nfs/dbraw/zinc/16/25/34/326162534.db2.gz ITVSYJNZNDZNDQ-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCCCC(F)(F)F)C1 ZINC000154737919 326162624 /nfs/dbraw/zinc/16/26/24/326162624.db2.gz ITVSYJNZNDZNDQ-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCCC(F)(F)F ZINC000154738025 326162325 /nfs/dbraw/zinc/16/23/25/326162325.db2.gz ITVSYJNZNDZNDQ-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO CSCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000154791065 201298518 /nfs/dbraw/zinc/29/85/18/201298518.db2.gz HPJLMSOHLJSAPZ-NSHDSACASA-N 1 0 243.441 3.788 20 0 BHADRO CSCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000154791169 201298347 /nfs/dbraw/zinc/29/83/47/201298347.db2.gz HPJLMSOHLJSAPZ-LLVKDONJSA-N 1 0 243.441 3.788 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]C/C=C/Cl ZINC000154901114 642302813 /nfs/dbraw/zinc/30/28/13/642302813.db2.gz ORWHCGDLFUATIX-IZZDOVSWSA-N 1 0 237.774 3.740 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000155059645 326182531 /nfs/dbraw/zinc/18/25/31/326182531.db2.gz CAFPWAPHVMFCES-HNNXBMFYSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000155059760 326182506 /nfs/dbraw/zinc/18/25/06/326182506.db2.gz CAFPWAPHVMFCES-OAHLLOKOSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000155070505 326182888 /nfs/dbraw/zinc/18/28/88/326182888.db2.gz LGRWFAZMSHOAMQ-HNNXBMFYSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000155070634 326183091 /nfs/dbraw/zinc/18/30/91/326183091.db2.gz LGRWFAZMSHOAMQ-OAHLLOKOSA-N 1 0 241.334 3.578 20 0 BHADRO c1csc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000155078265 326183340 /nfs/dbraw/zinc/18/33/40/326183340.db2.gz AZQWCPVNSBDREH-CQSZACIVSA-N 1 0 243.375 3.738 20 0 BHADRO c1csc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000155078368 326183484 /nfs/dbraw/zinc/18/34/84/326183484.db2.gz AZQWCPVNSBDREH-AWEZNQCLSA-N 1 0 243.375 3.738 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000155078497 326183552 /nfs/dbraw/zinc/18/35/52/326183552.db2.gz FBDWXQIRQPHZLW-OAHLLOKOSA-N 1 0 243.375 3.738 20 0 BHADRO c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000155078595 326183548 /nfs/dbraw/zinc/18/35/48/326183548.db2.gz FBDWXQIRQPHZLW-HNNXBMFYSA-N 1 0 243.375 3.738 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000155092790 201299900 /nfs/dbraw/zinc/29/99/00/201299900.db2.gz AXENTOYLOQBGDC-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000155092894 201301617 /nfs/dbraw/zinc/30/16/17/201301617.db2.gz AXENTOYLOQBGDC-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000155092993 201300277 /nfs/dbraw/zinc/30/02/77/201300277.db2.gz AXENTOYLOQBGDC-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000155093106 201300345 /nfs/dbraw/zinc/30/03/45/201300345.db2.gz AXENTOYLOQBGDC-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000155096630 201299897 /nfs/dbraw/zinc/29/98/97/201299897.db2.gz SUWCTHUNTYUUEX-CHWSQXEVSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000155096693 201300074 /nfs/dbraw/zinc/30/00/74/201300074.db2.gz SUWCTHUNTYUUEX-OLZOCXBDSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000155096787 201300694 /nfs/dbraw/zinc/30/06/94/201300694.db2.gz SUWCTHUNTYUUEX-QWHCGFSZSA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000155096878 201301861 /nfs/dbraw/zinc/30/18/61/201301861.db2.gz SUWCTHUNTYUUEX-STQMWFEESA-N 1 0 237.412 3.706 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000155106232 201300012 /nfs/dbraw/zinc/30/00/12/201300012.db2.gz XWLWIOJZFCMSET-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000155106341 201300265 /nfs/dbraw/zinc/30/02/65/201300265.db2.gz XWLWIOJZFCMSET-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000155106433 201301821 /nfs/dbraw/zinc/30/18/21/201301821.db2.gz XWLWIOJZFCMSET-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000155106554 201300454 /nfs/dbraw/zinc/30/04/54/201300454.db2.gz XWLWIOJZFCMSET-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000155113134 201300015 /nfs/dbraw/zinc/30/00/15/201300015.db2.gz BZUMIZAOFOQIQN-UWVGGRQHSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000155113244 201300585 /nfs/dbraw/zinc/30/05/85/201300585.db2.gz BZUMIZAOFOQIQN-ZJUUUORDSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC000155113349 201301164 /nfs/dbraw/zinc/30/11/64/201301164.db2.gz BZUMIZAOFOQIQN-VHSXEESVSA-N 1 0 243.803 3.742 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC000155113473 201300908 /nfs/dbraw/zinc/30/09/08/201300908.db2.gz BZUMIZAOFOQIQN-NXEZZACHSA-N 1 0 243.803 3.742 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1 ZINC000155113580 201300497 /nfs/dbraw/zinc/30/04/97/201300497.db2.gz ZYXUCFHFQIRUQB-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1 ZINC000155113691 201300100 /nfs/dbraw/zinc/30/01/00/201300100.db2.gz ZYXUCFHFQIRUQB-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1 ZINC000155113793 201301632 /nfs/dbraw/zinc/30/16/32/201301632.db2.gz ZYXUCFHFQIRUQB-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1 ZINC000155113889 191115709 /nfs/dbraw/zinc/11/57/09/191115709.db2.gz ZYXUCFHFQIRUQB-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](C)CC)CCO1 ZINC000155162552 326187240 /nfs/dbraw/zinc/18/72/40/326187240.db2.gz KQKCBYFEBRCXQW-CFVMTHIKSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CC)CCO1 ZINC000155162744 326187545 /nfs/dbraw/zinc/18/75/45/326187545.db2.gz KQKCBYFEBRCXQW-QEJZJMRPSA-N 1 0 241.419 3.606 20 0 BHADRO FC(F)(F)CCCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000155163103 326187390 /nfs/dbraw/zinc/18/73/90/326187390.db2.gz LOWACAGTIZKDLU-TXEJJXNPSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)CCCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000155163215 326187613 /nfs/dbraw/zinc/18/76/13/326187613.db2.gz LOWACAGTIZKDLU-RYUDHWBXSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)CCCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000155163309 326187567 /nfs/dbraw/zinc/18/75/67/326187567.db2.gz LOWACAGTIZKDLU-VXGBXAGGSA-N 1 0 249.320 3.841 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1F ZINC000155181401 201300053 /nfs/dbraw/zinc/30/00/53/201300053.db2.gz DAIXMHSYHVSYIA-NSHDSACASA-N 1 0 233.330 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1F ZINC000155181508 201301333 /nfs/dbraw/zinc/30/13/33/201301333.db2.gz DAIXMHSYHVSYIA-LLVKDONJSA-N 1 0 233.330 3.667 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc(F)c1 ZINC000155182046 201300566 /nfs/dbraw/zinc/30/05/66/201300566.db2.gz VRMLFHHPGIAIAF-NSHDSACASA-N 1 0 233.330 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc(F)c1 ZINC000155182149 201301834 /nfs/dbraw/zinc/30/18/34/201301834.db2.gz VRMLFHHPGIAIAF-LLVKDONJSA-N 1 0 233.330 3.667 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1 ZINC000155183849 201301636 /nfs/dbraw/zinc/30/16/36/201301636.db2.gz XRSBQERIYOFPRU-NSHDSACASA-N 1 0 233.330 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1 ZINC000155183956 201299989 /nfs/dbraw/zinc/29/99/89/201299989.db2.gz XRSBQERIYOFPRU-LLVKDONJSA-N 1 0 233.330 3.667 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000155185990 585013336 /nfs/dbraw/zinc/01/33/36/585013336.db2.gz JXTJMDUBPUIDPG-OAHLLOKOSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000155186094 585013279 /nfs/dbraw/zinc/01/32/79/585013279.db2.gz JXTJMDUBPUIDPG-HNNXBMFYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc([C@H]([NH2+]C/C=C/Cl)C2CC2)cc1 ZINC000155213467 641561686 /nfs/dbraw/zinc/56/16/86/641561686.db2.gz ZPISILMTWABDCF-NGDXXIETSA-N 1 0 239.721 3.619 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C/C=C/Cl)C2CC2)cc1 ZINC000155213578 641562743 /nfs/dbraw/zinc/56/27/43/641562743.db2.gz ZPISILMTWABDCF-HXKKTNHBSA-N 1 0 239.721 3.619 20 0 BHADRO CC(C)[N@H+](Cc1cccnc1)C1CCCCC1 ZINC000155265633 201311815 /nfs/dbraw/zinc/31/18/15/201311815.db2.gz KGPFXEKYGPZGCJ-UHFFFAOYSA-N 1 0 232.371 3.625 20 0 BHADRO CC(C)[N@H+](Cc1ccncc1)C1CCCCC1 ZINC000155283895 385384582 /nfs/dbraw/zinc/38/45/82/385384582.db2.gz ZUSQNACIVRWYID-UHFFFAOYSA-N 1 0 232.371 3.625 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCCCC2)nc1 ZINC000155333377 326192627 /nfs/dbraw/zinc/19/26/27/326192627.db2.gz IUTXKVFQYCNFRV-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO C[C@H]([N@H+](C)CCCCC(F)(F)F)C1(C)CC1 ZINC000155339489 326193168 /nfs/dbraw/zinc/19/31/68/326193168.db2.gz BNZQVQYEENXTRB-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]([N@H+](C)CCCCC(F)(F)F)C1(C)CC1 ZINC000155339583 326193331 /nfs/dbraw/zinc/19/33/31/326193331.db2.gz BNZQVQYEENXTRB-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1(C)CC1 ZINC000155348415 345078452 /nfs/dbraw/zinc/07/84/52/345078452.db2.gz ALVRLMAXVCSSGR-LBPRGKRZSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1(C)CC1 ZINC000155348514 345078586 /nfs/dbraw/zinc/07/85/86/345078586.db2.gz ALVRLMAXVCSSGR-GFCCVEGCSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CC1 ZINC000155358653 326193861 /nfs/dbraw/zinc/19/38/61/326193861.db2.gz CWGWDTPAFGPFPL-HNNXBMFYSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CC1 ZINC000155358772 326193965 /nfs/dbraw/zinc/19/39/65/326193965.db2.gz CWGWDTPAFGPFPL-OAHLLOKOSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC1CC1 ZINC000155376620 326194444 /nfs/dbraw/zinc/19/44/44/326194444.db2.gz JAANTMQAKVUFKF-NSHDSACASA-N 1 0 229.323 3.836 20 0 BHADRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC1CC1 ZINC000155376721 326194511 /nfs/dbraw/zinc/19/45/11/326194511.db2.gz JAANTMQAKVUFKF-LLVKDONJSA-N 1 0 229.323 3.836 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000155387188 201330164 /nfs/dbraw/zinc/33/01/64/201330164.db2.gz HWXIMVHZZQUBIO-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO c1coc(C[N@H+](Cc2ccccc2)CC2CC2)c1 ZINC000155492930 326197486 /nfs/dbraw/zinc/19/74/86/326197486.db2.gz QQFCJDSXPBRFPI-UHFFFAOYSA-N 1 0 241.334 3.692 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)c1ccccc1F ZINC000155512180 641574302 /nfs/dbraw/zinc/57/43/02/641574302.db2.gz IDVVLEOPNZMBBS-UHFFFAOYSA-N 1 0 235.346 3.636 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCCCC(F)(F)F ZINC000155516982 326198770 /nfs/dbraw/zinc/19/87/70/326198770.db2.gz HGEDVZFLKQZFPN-AOOOYVTPSA-N 1 0 223.282 3.592 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCCCC(F)(F)F ZINC000155517096 326198863 /nfs/dbraw/zinc/19/88/63/326198863.db2.gz HGEDVZFLKQZFPN-UWVGGRQHSA-N 1 0 223.282 3.592 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCCCC(F)(F)F ZINC000155517206 326198720 /nfs/dbraw/zinc/19/87/20/326198720.db2.gz HGEDVZFLKQZFPN-NXEZZACHSA-N 1 0 223.282 3.592 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC2(CCC2)C1 ZINC000155519553 345088391 /nfs/dbraw/zinc/08/83/91/345088391.db2.gz SZBLWTOCSMTEOO-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2cccs2)o1 ZINC000155625493 326204359 /nfs/dbraw/zinc/20/43/59/326204359.db2.gz VVCNTFGIECNFHI-LLVKDONJSA-N 1 0 249.379 3.797 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2cccs2)o1 ZINC000155625599 326204329 /nfs/dbraw/zinc/20/43/29/326204329.db2.gz VVCNTFGIECNFHI-NSHDSACASA-N 1 0 249.379 3.797 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000155681843 326207892 /nfs/dbraw/zinc/20/78/92/326207892.db2.gz KRXWCDVOLYWYEP-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1ccc(F)cc1 ZINC000155681956 326207640 /nfs/dbraw/zinc/20/76/40/326207640.db2.gz KRXWCDVOLYWYEP-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO Cc1ccc(C[N@@H+](CC2CC2)C(C)C)s1 ZINC000155698687 345096630 /nfs/dbraw/zinc/09/66/30/345096630.db2.gz DHAUNQSLHFOEMJ-UHFFFAOYSA-N 1 0 223.385 3.677 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1ccccc1F ZINC000155833435 389011204 /nfs/dbraw/zinc/01/12/04/389011204.db2.gz YVKPWYASILTOKO-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1ccccc1F ZINC000155833547 389010973 /nfs/dbraw/zinc/01/09/73/389010973.db2.gz YVKPWYASILTOKO-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1cccc(F)c1 ZINC000155841962 326213118 /nfs/dbraw/zinc/21/31/18/326213118.db2.gz LWXXFEKSZGRHBC-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1cccc(F)c1 ZINC000155842047 326212852 /nfs/dbraw/zinc/21/28/52/326212852.db2.gz LWXXFEKSZGRHBC-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000155877987 201363533 /nfs/dbraw/zinc/36/35/33/201363533.db2.gz SLMTYAIYQCSZJN-DMDPSCGWSA-N 1 0 235.396 3.858 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000155878215 201361715 /nfs/dbraw/zinc/36/17/15/201361715.db2.gz SLMTYAIYQCSZJN-GMXVVIOVSA-N 1 0 235.396 3.858 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155921854 326214722 /nfs/dbraw/zinc/21/47/22/326214722.db2.gz ZBWCLOKMLMEGCJ-CYBMUJFWSA-N 1 0 249.398 3.890 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155921960 326214765 /nfs/dbraw/zinc/21/47/65/326214765.db2.gz ZBWCLOKMLMEGCJ-ZDUSSCGKSA-N 1 0 249.398 3.890 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000155939142 345114926 /nfs/dbraw/zinc/11/49/26/345114926.db2.gz NLFTXNYBTUTDTO-SWLSCSKDSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000155939247 345114700 /nfs/dbraw/zinc/11/47/00/345114700.db2.gz NLFTXNYBTUTDTO-WFASDCNBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000155939372 345114954 /nfs/dbraw/zinc/11/49/54/345114954.db2.gz NLFTXNYBTUTDTO-IUODEOHRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000155939498 345114963 /nfs/dbraw/zinc/11/49/63/345114963.db2.gz NLFTXNYBTUTDTO-DOMZBBRYSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCc2ccco2)c1C ZINC000155939641 326215249 /nfs/dbraw/zinc/21/52/49/326215249.db2.gz GWOBKERJEUUFMV-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCc2ccco2)c1C ZINC000155939766 326215246 /nfs/dbraw/zinc/21/52/46/326215246.db2.gz GWOBKERJEUUFMV-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)[C@@H](C)c1ccccc1 ZINC000155941082 326215205 /nfs/dbraw/zinc/21/52/05/326215205.db2.gz KEDNDUYXZKXGFI-ZIAGYGMSSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)[C@H](C)c1ccccc1 ZINC000155941218 344121527 /nfs/dbraw/zinc/12/15/27/344121527.db2.gz KEDNDUYXZKXGFI-UONOGXRCSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)[C@@H](C)c1ccccc1 ZINC000155941339 326215553 /nfs/dbraw/zinc/21/55/53/326215553.db2.gz KEDNDUYXZKXGFI-KGLIPLIRSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccco1 ZINC000155941477 326215235 /nfs/dbraw/zinc/21/52/35/326215235.db2.gz KEDNDUYXZKXGFI-KBPBESRZSA-N 1 0 243.350 3.604 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000155951771 201376618 /nfs/dbraw/zinc/37/66/18/201376618.db2.gz BUBMCQMGBRNLBP-UONOGXRCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000155951895 201376630 /nfs/dbraw/zinc/37/66/30/201376630.db2.gz BUBMCQMGBRNLBP-KBPBESRZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000155952005 201376172 /nfs/dbraw/zinc/37/61/72/201376172.db2.gz BUBMCQMGBRNLBP-ZIAGYGMSSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000155952121 201375527 /nfs/dbraw/zinc/37/55/27/201375527.db2.gz BUBMCQMGBRNLBP-KGLIPLIRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)(C)C)cn1 ZINC000155984952 201377823 /nfs/dbraw/zinc/37/78/23/201377823.db2.gz MBTJFZHZOVULEG-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)(C)C)cn1 ZINC000155985075 201378205 /nfs/dbraw/zinc/37/82/05/201378205.db2.gz MBTJFZHZOVULEG-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO CCCCC[N@H+](Cc1ccc(C)cn1)C(C)C ZINC000156075123 326218103 /nfs/dbraw/zinc/21/81/03/326218103.db2.gz IDNRCMZWAMENBT-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCC1 ZINC000156116945 387919421 /nfs/dbraw/zinc/91/94/21/387919421.db2.gz TWAOOAQZMYWHMQ-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]CC1CCC1 ZINC000156117065 387920041 /nfs/dbraw/zinc/92/00/41/387920041.db2.gz TWAOOAQZMYWHMQ-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000156122586 386568135 /nfs/dbraw/zinc/56/81/35/386568135.db2.gz RXJSVZLWDLULEK-GXTWGEPZSA-N 1 0 245.391 3.779 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000156122715 387921168 /nfs/dbraw/zinc/92/11/68/387921168.db2.gz RXJSVZLWDLULEK-JSGCOSHPSA-N 1 0 245.391 3.779 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000156122836 387920427 /nfs/dbraw/zinc/92/04/27/387920427.db2.gz RXJSVZLWDLULEK-TZMCWYRMSA-N 1 0 245.391 3.779 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000156122949 387920682 /nfs/dbraw/zinc/92/06/82/387920682.db2.gz RXJSVZLWDLULEK-OCCSQVGLSA-N 1 0 245.391 3.779 20 0 BHADRO CC[N@H+](Cc1ccc(C)cn1)C1CCCCC1 ZINC000156128271 326220094 /nfs/dbraw/zinc/22/00/94/326220094.db2.gz UVEGMYVSUGELTO-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)nc1 ZINC000156196763 326221966 /nfs/dbraw/zinc/22/19/66/326221966.db2.gz UPLAGXNSMCUGIE-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccs2)nc1 ZINC000156196895 326221788 /nfs/dbraw/zinc/22/17/88/326221788.db2.gz UPLAGXNSMCUGIE-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1ccccc1F ZINC000156233579 387942853 /nfs/dbraw/zinc/94/28/53/387942853.db2.gz MVTFDUBDIKRZFU-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1ccccc1F ZINC000156233708 387943913 /nfs/dbraw/zinc/94/39/13/387943913.db2.gz MVTFDUBDIKRZFU-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO CC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000156248976 397756493 /nfs/dbraw/zinc/75/64/93/397756493.db2.gz UWWVFRYNESXDIY-INIZCTEOSA-N 1 0 245.366 3.501 20 0 BHADRO CC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000156249103 397756748 /nfs/dbraw/zinc/75/67/48/397756748.db2.gz UWWVFRYNESXDIY-MRXNPFEDSA-N 1 0 245.366 3.501 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000156257008 201417557 /nfs/dbraw/zinc/41/75/57/201417557.db2.gz BOIKJCRNFITWOH-SNVBAGLBSA-N 1 0 249.379 3.582 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000156257121 387949179 /nfs/dbraw/zinc/94/91/79/387949179.db2.gz BOIKJCRNFITWOH-JTQLQIEISA-N 1 0 249.379 3.582 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc1 ZINC000156287472 345141878 /nfs/dbraw/zinc/14/18/78/345141878.db2.gz YVXWKCRRNKVEQE-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1 ZINC000156287612 134712191 /nfs/dbraw/zinc/71/21/91/134712191.db2.gz YVXWKCRRNKVEQE-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C2CC2)s1 ZINC000156298219 387951459 /nfs/dbraw/zinc/95/14/59/387951459.db2.gz UZBLSFKPPHOEER-ZDUSSCGKSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C2CC2)s1 ZINC000156298341 387952428 /nfs/dbraw/zinc/95/24/28/387952428.db2.gz UZBLSFKPPHOEER-CYBMUJFWSA-N 1 0 223.385 3.589 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CSc2ccccc21 ZINC000156307072 345146310 /nfs/dbraw/zinc/14/63/10/345146310.db2.gz TUDBXRAGUKDBKX-GXFFZTMASA-N 1 0 233.380 3.612 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CSc2ccccc21 ZINC000156307198 345146551 /nfs/dbraw/zinc/14/65/51/345146551.db2.gz TUDBXRAGUKDBKX-ZWNOBZJWSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CSc2ccccc21 ZINC000156307318 345146614 /nfs/dbraw/zinc/14/66/14/345146614.db2.gz TUDBXRAGUKDBKX-GWCFXTLKSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CSc2ccccc21 ZINC000156307445 345146331 /nfs/dbraw/zinc/14/63/31/345146331.db2.gz TUDBXRAGUKDBKX-MFKMUULPSA-N 1 0 233.380 3.612 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156326366 326227209 /nfs/dbraw/zinc/22/72/09/326227209.db2.gz NSPNXFGUSXPREN-CYBMUJFWSA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156326488 326227222 /nfs/dbraw/zinc/22/72/22/326227222.db2.gz NSPNXFGUSXPREN-ZDUSSCGKSA-N 1 0 244.382 3.735 20 0 BHADRO CCC[C@@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156333680 326227951 /nfs/dbraw/zinc/22/79/51/326227951.db2.gz IVFKKWKKVMSISM-CYBMUJFWSA-N 1 0 244.382 3.879 20 0 BHADRO CCC[C@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156333807 326228098 /nfs/dbraw/zinc/22/80/98/326228098.db2.gz IVFKKWKKVMSISM-ZDUSSCGKSA-N 1 0 244.382 3.879 20 0 BHADRO Clc1ccc([C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000156346306 326228545 /nfs/dbraw/zinc/22/85/45/326228545.db2.gz LJQUDZRYIKBASS-CYBMUJFWSA-N 1 0 235.758 3.539 20 0 BHADRO Clc1ccc([C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000156346442 326228394 /nfs/dbraw/zinc/22/83/94/326228394.db2.gz LJQUDZRYIKBASS-ZDUSSCGKSA-N 1 0 235.758 3.539 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000156353427 385840384 /nfs/dbraw/zinc/84/03/84/385840384.db2.gz FVHWMDMBDWHMIW-KGYLQXTDSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000156353685 201421551 /nfs/dbraw/zinc/42/15/51/201421551.db2.gz FVHWMDMBDWHMIW-RAIGVLPGSA-N 1 0 233.380 3.612 20 0 BHADRO CCC(CC)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156353985 323033522 /nfs/dbraw/zinc/03/35/22/323033522.db2.gz QTYIYXJFENWOGU-UHFFFAOYSA-N 1 0 244.382 3.879 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000156354417 201421468 /nfs/dbraw/zinc/42/14/68/201421468.db2.gz AOKSTOZWHPTSIE-DGCLKSJQSA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000156354533 387961089 /nfs/dbraw/zinc/96/10/89/387961089.db2.gz AOKSTOZWHPTSIE-WCQYABFASA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000156354657 387960395 /nfs/dbraw/zinc/96/03/95/387960395.db2.gz AOKSTOZWHPTSIE-YPMHNXCESA-N 1 0 235.396 3.858 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000156354775 387960700 /nfs/dbraw/zinc/96/07/00/387960700.db2.gz AOKSTOZWHPTSIE-AAEUAGOBSA-N 1 0 235.396 3.858 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000156375565 640442086 /nfs/dbraw/zinc/44/20/86/640442086.db2.gz LCIZETSRXNSVPW-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1C ZINC000156394617 326231090 /nfs/dbraw/zinc/23/10/90/326231090.db2.gz MILBEYPDRCJOPJ-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)c1C ZINC000156394756 326231037 /nfs/dbraw/zinc/23/10/37/326231037.db2.gz MILBEYPDRCJOPJ-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)c1C ZINC000156394886 326231389 /nfs/dbraw/zinc/23/13/89/326231389.db2.gz MILBEYPDRCJOPJ-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCO2)c1C ZINC000156394992 326231083 /nfs/dbraw/zinc/23/10/83/326231083.db2.gz MILBEYPDRCJOPJ-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000156404932 345158149 /nfs/dbraw/zinc/15/81/49/345158149.db2.gz SMBJFBMKLSBDKD-LBPRGKRZSA-N 1 0 221.369 3.603 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000156405069 345158438 /nfs/dbraw/zinc/15/84/38/345158438.db2.gz SMBJFBMKLSBDKD-GFCCVEGCSA-N 1 0 221.369 3.603 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1ccccn1 ZINC000156407600 538778882 /nfs/dbraw/zinc/77/88/82/538778882.db2.gz UYILVNFTDHCBRF-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1ccccn1 ZINC000156407725 538778996 /nfs/dbraw/zinc/77/89/96/538778996.db2.gz UYILVNFTDHCBRF-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1cccnc1 ZINC000156429082 345157332 /nfs/dbraw/zinc/15/73/32/345157332.db2.gz APGAUSWDOJRGNJ-STQMWFEESA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1cccnc1 ZINC000156429211 345157279 /nfs/dbraw/zinc/15/72/79/345157279.db2.gz APGAUSWDOJRGNJ-OLZOCXBDSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)c1cccnc1 ZINC000156429337 345157554 /nfs/dbraw/zinc/15/75/54/345157554.db2.gz APGAUSWDOJRGNJ-QWHCGFSZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)c1cccnc1 ZINC000156429462 345157302 /nfs/dbraw/zinc/15/73/02/345157302.db2.gz APGAUSWDOJRGNJ-CHWSQXEVSA-N 1 0 232.371 3.701 20 0 BHADRO c1coc([C@@H]2CCCCC[N@H+]2CC2CC2)c1 ZINC000156463653 345161920 /nfs/dbraw/zinc/16/19/20/345161920.db2.gz VKUUCVRVCFMQMC-ZDUSSCGKSA-N 1 0 219.328 3.607 20 0 BHADRO c1coc([C@H]2CCCCC[N@H+]2CC2CC2)c1 ZINC000156463764 345161733 /nfs/dbraw/zinc/16/17/33/345161733.db2.gz VKUUCVRVCFMQMC-CYBMUJFWSA-N 1 0 219.328 3.607 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccs1 ZINC000156511188 387991369 /nfs/dbraw/zinc/99/13/69/387991369.db2.gz HVGLRLSFEYEKOD-JTQLQIEISA-N 1 0 243.441 3.758 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]Cc1cccs1 ZINC000156511324 387991886 /nfs/dbraw/zinc/99/18/86/387991886.db2.gz HVGLRLSFEYEKOD-SNVBAGLBSA-N 1 0 243.441 3.758 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000156540809 641608051 /nfs/dbraw/zinc/60/80/51/641608051.db2.gz BYHWTVOWPKSQIA-OLZOCXBDSA-N 1 0 239.359 3.526 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000156540928 641607908 /nfs/dbraw/zinc/60/79/08/641607908.db2.gz BYHWTVOWPKSQIA-STQMWFEESA-N 1 0 239.359 3.526 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2cccs2)o1 ZINC000156541024 385457501 /nfs/dbraw/zinc/45/75/01/385457501.db2.gz IGSYDGSUOMRVIJ-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000156541042 641608095 /nfs/dbraw/zinc/60/80/95/641608095.db2.gz BYHWTVOWPKSQIA-CHWSQXEVSA-N 1 0 239.359 3.526 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000156541151 641607871 /nfs/dbraw/zinc/60/78/71/641607871.db2.gz BYHWTVOWPKSQIA-QWHCGFSZSA-N 1 0 239.359 3.526 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2cccs2)o1 ZINC000156541162 385457387 /nfs/dbraw/zinc/45/73/87/385457387.db2.gz IGSYDGSUOMRVIJ-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO c1ccc(SC[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000156564246 326235656 /nfs/dbraw/zinc/23/56/56/326235656.db2.gz MAVGHBCLLIAEKL-CQSZACIVSA-N 1 0 247.407 3.511 20 0 BHADRO c1ccc(SC[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000156564361 326235458 /nfs/dbraw/zinc/23/54/58/326235458.db2.gz MAVGHBCLLIAEKL-AWEZNQCLSA-N 1 0 247.407 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000156601214 388010106 /nfs/dbraw/zinc/01/01/06/388010106.db2.gz DPSFAOMNBZZSAK-IMJJTQAJSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000156601346 388009618 /nfs/dbraw/zinc/00/96/18/388009618.db2.gz DPSFAOMNBZZSAK-BPUTZDHNSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000156601474 388010186 /nfs/dbraw/zinc/01/01/86/388010186.db2.gz DPSFAOMNBZZSAK-NUEKZKHPSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000156601606 201455241 /nfs/dbraw/zinc/45/52/41/201455241.db2.gz DPSFAOMNBZZSAK-CWRNSKLLSA-N 1 0 246.398 3.947 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000156603113 385460258 /nfs/dbraw/zinc/46/02/58/385460258.db2.gz WNHIMAVPXOJRSF-ZFWWWQNUSA-N 1 0 230.355 3.508 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000156603231 187300702 /nfs/dbraw/zinc/30/07/02/187300702.db2.gz WNHIMAVPXOJRSF-DZGCQCFKSA-N 1 0 230.355 3.508 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)c1ccncc1 ZINC000156604249 326236632 /nfs/dbraw/zinc/23/66/32/326236632.db2.gz MRGZZCRSDRSKTF-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)c1ccncc1 ZINC000156604369 326236939 /nfs/dbraw/zinc/23/69/39/326236939.db2.gz MRGZZCRSDRSKTF-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)o1 ZINC000156609792 640466635 /nfs/dbraw/zinc/46/66/35/640466635.db2.gz LNIQSRZDIJFPHK-OAHLLOKOSA-N 1 0 244.338 3.562 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C)o1 ZINC000156609922 640466517 /nfs/dbraw/zinc/46/65/17/640466517.db2.gz LNIQSRZDIJFPHK-HNNXBMFYSA-N 1 0 244.338 3.562 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000156709338 326240658 /nfs/dbraw/zinc/24/06/58/326240658.db2.gz GLLFVJABQNFTDK-KKUMJFAQSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000156709619 326240752 /nfs/dbraw/zinc/24/07/52/326240752.db2.gz GLLFVJABQNFTDK-ZNMIVQPWSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156761507 326241463 /nfs/dbraw/zinc/24/14/63/326241463.db2.gz HTNWKGNWTAFDCY-LBPRGKRZSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156761650 326241511 /nfs/dbraw/zinc/24/15/11/326241511.db2.gz HTNWKGNWTAFDCY-GFCCVEGCSA-N 1 0 247.382 3.925 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000156768614 326241845 /nfs/dbraw/zinc/24/18/45/326241845.db2.gz RAIOQISKSJBPPA-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000156768743 326241686 /nfs/dbraw/zinc/24/16/86/326241686.db2.gz RAIOQISKSJBPPA-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000156781597 384955662 /nfs/dbraw/zinc/95/56/62/384955662.db2.gz UYUDRQOQCPCABQ-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000156781731 384956122 /nfs/dbraw/zinc/95/61/22/384956122.db2.gz UYUDRQOQCPCABQ-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCCCOC ZINC000156805034 326242850 /nfs/dbraw/zinc/24/28/50/326242850.db2.gz AICRTLAMSLHSLC-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCCCOC ZINC000156805175 326242568 /nfs/dbraw/zinc/24/25/68/326242568.db2.gz AICRTLAMSLHSLC-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1nccs1 ZINC000156809758 388036827 /nfs/dbraw/zinc/03/68/27/388036827.db2.gz WRLLJBUZSYTQLI-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1nccs1 ZINC000156809891 388037166 /nfs/dbraw/zinc/03/71/66/388037166.db2.gz WRLLJBUZSYTQLI-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000156816802 538798900 /nfs/dbraw/zinc/79/89/00/538798900.db2.gz DSPKMKROSZLFOG-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000156817107 538798320 /nfs/dbraw/zinc/79/83/20/538798320.db2.gz DSPKMKROSZLFOG-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000156817381 201475696 /nfs/dbraw/zinc/47/56/96/201475696.db2.gz UILCMECIFBFTAK-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000156817655 388036713 /nfs/dbraw/zinc/03/67/13/388036713.db2.gz UILCMECIFBFTAK-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C2CCC2)c(C)s1 ZINC000156826880 538798334 /nfs/dbraw/zinc/79/83/34/538798334.db2.gz YUQRSPNQQAIIFE-JTQLQIEISA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C2CCC2)c(C)s1 ZINC000156827043 538798518 /nfs/dbraw/zinc/79/85/18/538798518.db2.gz YUQRSPNQQAIIFE-SNVBAGLBSA-N 1 0 223.385 3.643 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C1CCC1 ZINC000156827201 191087155 /nfs/dbraw/zinc/08/71/55/191087155.db2.gz DOACNXVIKISWBP-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C1CCCCC1 ZINC000156827337 386595077 /nfs/dbraw/zinc/59/50/77/386595077.db2.gz DOACNXVIKISWBP-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C1CCC1 ZINC000156827470 191672098 /nfs/dbraw/zinc/67/20/98/191672098.db2.gz DOACNXVIKISWBP-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C1CCC1 ZINC000156827612 388039192 /nfs/dbraw/zinc/03/91/92/388039192.db2.gz DOACNXVIKISWBP-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cncs1 ZINC000156827754 388038062 /nfs/dbraw/zinc/03/80/62/388038062.db2.gz JZUIMYICKRZTQN-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cncs1 ZINC000156827891 388039115 /nfs/dbraw/zinc/03/91/15/388039115.db2.gz JZUIMYICKRZTQN-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cncs1)C1CCCCC1 ZINC000156828040 388039197 /nfs/dbraw/zinc/03/91/97/388039197.db2.gz JZUIMYICKRZTQN-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cncs1 ZINC000156828173 191116450 /nfs/dbraw/zinc/11/64/50/191116450.db2.gz JZUIMYICKRZTQN-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)C1CCC1 ZINC000156829431 538106932 /nfs/dbraw/zinc/10/69/32/538106932.db2.gz ZNNVKYRKNADHIY-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C1CCC1 ZINC000156829582 538799177 /nfs/dbraw/zinc/79/91/77/538799177.db2.gz ZNNVKYRKNADHIY-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1cncs1 ZINC000156829734 201477380 /nfs/dbraw/zinc/47/73/80/201477380.db2.gz QHPMWIVGVIKKRL-JTQLQIEISA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1cncs1 ZINC000156829877 191674311 /nfs/dbraw/zinc/67/43/11/191674311.db2.gz QHPMWIVGVIKKRL-SNVBAGLBSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C[C@@H]2CCCO2)c1 ZINC000156848283 384988534 /nfs/dbraw/zinc/98/85/34/384988534.db2.gz UTTBFSRLIRYMNF-LZWOXQAQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCO2)c1 ZINC000156848424 133474189 /nfs/dbraw/zinc/47/41/89/133474189.db2.gz UTTBFSRLIRYMNF-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C[C@@H]2CCCO2)c1 ZINC000156848574 133474075 /nfs/dbraw/zinc/47/40/75/133474075.db2.gz UTTBFSRLIRYMNF-FMKPAKJESA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCO2)c1 ZINC000156848716 384988630 /nfs/dbraw/zinc/98/86/30/384988630.db2.gz UTTBFSRLIRYMNF-YCPHGPKFSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC2CC2)c(C)o1 ZINC000156858673 343199151 /nfs/dbraw/zinc/19/91/51/343199151.db2.gz RWHFMAXRWCXRKV-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC2CC2)c(C)o1 ZINC000156858819 343199192 /nfs/dbraw/zinc/19/91/92/343199192.db2.gz RWHFMAXRWCXRKV-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO C[C@@H](C[NH2+]CCCC1CC1)c1ccccc1 ZINC000156859698 343199214 /nfs/dbraw/zinc/19/92/14/343199214.db2.gz SQKXMVKPEXUNKN-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H](C[NH2+]CCCC1CC1)c1ccccc1 ZINC000156859849 343199325 /nfs/dbraw/zinc/19/93/25/343199325.db2.gz SQKXMVKPEXUNKN-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CCC(CC)[NH2+]CCCCCCSC ZINC000156873600 640517161 /nfs/dbraw/zinc/51/71/61/640517161.db2.gz OFHRLXRGOYWOCR-UHFFFAOYSA-N 1 0 217.422 3.688 20 0 BHADRO Clc1csc(C[NH2+]CCCC2CC2)c1 ZINC000156888824 343199243 /nfs/dbraw/zinc/19/92/43/343199243.db2.gz HLEQPIQNFXMUBX-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC[NH+](CC)Cc1cnc(C2CCCC2)s1 ZINC000156914224 326248733 /nfs/dbraw/zinc/24/87/33/326248733.db2.gz QPVFQZVDCAJFTF-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CC[NH+](CC)Cc1cccc(-c2cccnc2)c1 ZINC000156919319 385473586 /nfs/dbraw/zinc/47/35/86/385473586.db2.gz LOOCEIVCUWEKQD-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC[NH+](CC)Cc1cccc(-c2ccncc2)c1 ZINC000156926934 326249550 /nfs/dbraw/zinc/24/95/50/326249550.db2.gz HASAYKCGDZBICE-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC[NH+](CC)Cc1cccc(-c2ccccn2)c1 ZINC000156929562 326249417 /nfs/dbraw/zinc/24/94/17/326249417.db2.gz CBCIZUTXSLTWNP-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000156947052 385031538 /nfs/dbraw/zinc/03/15/38/385031538.db2.gz QWVOOJSSHMVRBT-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000156947204 385029255 /nfs/dbraw/zinc/02/92/55/385029255.db2.gz QWVOOJSSHMVRBT-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC(C1CC1)C1CC1 ZINC000156949768 538804317 /nfs/dbraw/zinc/80/43/17/538804317.db2.gz CWOSFLMHQFMJLT-NSHDSACASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC(C1CC1)C1CC1 ZINC000156949917 538804352 /nfs/dbraw/zinc/80/43/52/538804352.db2.gz CWOSFLMHQFMJLT-LLVKDONJSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000156951299 326250380 /nfs/dbraw/zinc/25/03/80/326250380.db2.gz LWYMKTQOKIRTNS-ABAIWWIYSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000156951442 326250119 /nfs/dbraw/zinc/25/01/19/326250119.db2.gz LWYMKTQOKIRTNS-NHYWBVRUSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000156951592 326250388 /nfs/dbraw/zinc/25/03/88/326250388.db2.gz LWYMKTQOKIRTNS-IAQYHMDHSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000156951728 326250370 /nfs/dbraw/zinc/25/03/70/326250370.db2.gz LWYMKTQOKIRTNS-XHDPSFHLSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1CCC1 ZINC000156951881 538806796 /nfs/dbraw/zinc/80/67/96/538806796.db2.gz GFPHIMBJTIOMBV-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1CCC1 ZINC000156952026 538806665 /nfs/dbraw/zinc/80/66/65/538806665.db2.gz GFPHIMBJTIOMBV-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO CC[N@H+](Cc1cccnc1C)C1CCCCC1 ZINC000156954783 326250572 /nfs/dbraw/zinc/25/05/72/326250572.db2.gz XFRGVZPAOGDZRV-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[N@H+](Cc1scnc1C)C1CCCCC1 ZINC000156954948 326250235 /nfs/dbraw/zinc/25/02/35/326250235.db2.gz VBSNTYDEASODOU-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000156955322 385025585 /nfs/dbraw/zinc/02/55/85/385025585.db2.gz JOGSVQDFVMFUOR-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000156955479 385026628 /nfs/dbraw/zinc/02/66/28/385026628.db2.gz JOGSVQDFVMFUOR-LLVKDONJSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000156973928 326251107 /nfs/dbraw/zinc/25/11/07/326251107.db2.gz VRAVBVOMLDEGFC-UHFFFAOYSA-N 1 0 246.379 3.650 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156976432 326250857 /nfs/dbraw/zinc/25/08/57/326250857.db2.gz JUDZNYYCCQGJEE-XEZPLFJOSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccoc1C[N@@H+]([C@@H](C)C(C)C)C1CC1 ZINC000156984090 326251646 /nfs/dbraw/zinc/25/16/46/326251646.db2.gz IXYHSPRCCRBHBD-LBPRGKRZSA-N 1 0 221.344 3.597 20 0 BHADRO Cc1ccoc1C[N@@H+]([C@H](C)C(C)C)C1CC1 ZINC000156984238 326251349 /nfs/dbraw/zinc/25/13/49/326251349.db2.gz IXYHSPRCCRBHBD-GFCCVEGCSA-N 1 0 221.344 3.597 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C1CCCCCC1 ZINC000157022102 387712958 /nfs/dbraw/zinc/71/29/58/387712958.db2.gz GGZNBKCLFBAVAJ-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCSCC[C@H](C)[NH2+]C1CCCCCC1 ZINC000157022245 387714015 /nfs/dbraw/zinc/71/40/15/387714015.db2.gz GGZNBKCLFBAVAJ-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000157025319 385048322 /nfs/dbraw/zinc/04/83/22/385048322.db2.gz JRWOYGOFXPGCOI-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000157025447 133479375 /nfs/dbraw/zinc/47/93/75/133479375.db2.gz JRWOYGOFXPGCOI-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H](C)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000157025586 385047995 /nfs/dbraw/zinc/04/79/95/385047995.db2.gz JRWOYGOFXPGCOI-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000157025718 385048334 /nfs/dbraw/zinc/04/83/34/385048334.db2.gz JRWOYGOFXPGCOI-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000157025844 371515491 /nfs/dbraw/zinc/51/54/91/371515491.db2.gz RMGBRGYTURJXJS-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000157025999 371515780 /nfs/dbraw/zinc/51/57/80/371515780.db2.gz RMGBRGYTURJXJS-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000157026159 371516301 /nfs/dbraw/zinc/51/63/01/371516301.db2.gz RMGBRGYTURJXJS-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000157026298 371516010 /nfs/dbraw/zinc/51/60/10/371516010.db2.gz RMGBRGYTURJXJS-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000157026460 133479168 /nfs/dbraw/zinc/47/91/68/133479168.db2.gz CZQVZOFBMIGHDW-OTTFEQOBSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000157026614 535690906 /nfs/dbraw/zinc/69/09/06/535690906.db2.gz CZQVZOFBMIGHDW-CPCZMJQVSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CCSCC ZINC000157028248 191090299 /nfs/dbraw/zinc/09/02/99/191090299.db2.gz FMXXJXGHNPKGSP-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)CCSCC ZINC000157028403 387714127 /nfs/dbraw/zinc/71/41/27/387714127.db2.gz FMXXJXGHNPKGSP-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)CCSCC ZINC000157028545 387714094 /nfs/dbraw/zinc/71/40/94/387714094.db2.gz FMXXJXGHNPKGSP-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)CCSCC ZINC000157028700 387713640 /nfs/dbraw/zinc/71/36/40/387713640.db2.gz FMXXJXGHNPKGSP-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000157029524 387713536 /nfs/dbraw/zinc/71/35/36/387713536.db2.gz DRZWPYRKTVPLIK-QWHCGFSZSA-N 1 0 231.449 3.932 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000157029662 201527683 /nfs/dbraw/zinc/52/76/83/201527683.db2.gz DRZWPYRKTVPLIK-STQMWFEESA-N 1 0 231.449 3.932 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000157029796 191090229 /nfs/dbraw/zinc/09/02/29/191090229.db2.gz DRZWPYRKTVPLIK-CHWSQXEVSA-N 1 0 231.449 3.932 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000157029959 191090073 /nfs/dbraw/zinc/09/00/73/191090073.db2.gz DRZWPYRKTVPLIK-OLZOCXBDSA-N 1 0 231.449 3.932 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000157030336 387712905 /nfs/dbraw/zinc/71/29/05/387712905.db2.gz MHBWFXHSSLQLFN-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000157030607 191090001 /nfs/dbraw/zinc/09/00/01/191090001.db2.gz MHBWFXHSSLQLFN-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000157032500 191089770 /nfs/dbraw/zinc/08/97/70/191089770.db2.gz VUHCWMIBMOPRAK-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000157032814 387719560 /nfs/dbraw/zinc/71/95/60/387719560.db2.gz VUHCWMIBMOPRAK-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000157032968 387720109 /nfs/dbraw/zinc/72/01/09/387720109.db2.gz NPOXOMMGSCWQFY-MNOVXSKESA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000157033120 387718376 /nfs/dbraw/zinc/71/83/76/387718376.db2.gz NPOXOMMGSCWQFY-QWRGUYRKSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000157033266 387719470 /nfs/dbraw/zinc/71/94/70/387719470.db2.gz NPOXOMMGSCWQFY-GHMZBOCLSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000157033403 386288829 /nfs/dbraw/zinc/28/88/29/386288829.db2.gz NPOXOMMGSCWQFY-WDEREUQCSA-N 1 0 243.441 3.930 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000157067251 640567900 /nfs/dbraw/zinc/56/79/00/640567900.db2.gz FTFOYGJDUFCTBQ-LBPRGKRZSA-N 1 0 238.350 3.698 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000157067396 640566156 /nfs/dbraw/zinc/56/61/56/640566156.db2.gz FTFOYGJDUFCTBQ-GFCCVEGCSA-N 1 0 238.350 3.698 20 0 BHADRO CC(C)CCCC[NH2+][C@@H](C)CC(F)(F)F ZINC000157073315 640570505 /nfs/dbraw/zinc/57/05/05/640570505.db2.gz HIOJYKVOFVOTIU-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)CCCC[NH2+][C@H](C)CC(F)(F)F ZINC000157073447 640568862 /nfs/dbraw/zinc/56/88/62/640568862.db2.gz HIOJYKVOFVOTIU-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)SC ZINC000157093928 640573385 /nfs/dbraw/zinc/57/33/85/640573385.db2.gz LPLRPYXEBLHTSS-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)SC ZINC000157094047 640572766 /nfs/dbraw/zinc/57/27/66/640572766.db2.gz LPLRPYXEBLHTSS-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CSC(C)(C)C[NH2+]C1CCCCCCC1 ZINC000157097198 632413658 /nfs/dbraw/zinc/41/36/58/632413658.db2.gz FQJXDPPPCVWUJJ-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CSC(C)(C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000157098142 640571595 /nfs/dbraw/zinc/57/15/95/640571595.db2.gz VKBTYEUHIPFDAJ-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000157098286 632413165 /nfs/dbraw/zinc/41/31/65/632413165.db2.gz VKBTYEUHIPFDAJ-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)SC ZINC000157098832 640572795 /nfs/dbraw/zinc/57/27/95/640572795.db2.gz OLJXEWLPDROPNT-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)SC ZINC000157098972 640572893 /nfs/dbraw/zinc/57/28/93/640572893.db2.gz OLJXEWLPDROPNT-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)SC ZINC000157099118 640573091 /nfs/dbraw/zinc/57/30/91/640573091.db2.gz OLJXEWLPDROPNT-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)SC ZINC000157099270 640572249 /nfs/dbraw/zinc/57/22/49/640572249.db2.gz OLJXEWLPDROPNT-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000157099699 640572868 /nfs/dbraw/zinc/57/28/68/640572868.db2.gz GXBWRWOYCPOHGO-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000157099846 640571906 /nfs/dbraw/zinc/57/19/06/640571906.db2.gz GXBWRWOYCPOHGO-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000157099993 640572558 /nfs/dbraw/zinc/57/25/58/640572558.db2.gz GXBWRWOYCPOHGO-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000157100134 632898458 /nfs/dbraw/zinc/89/84/58/632898458.db2.gz GXBWRWOYCPOHGO-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccco1 ZINC000157100302 364754479 /nfs/dbraw/zinc/75/44/79/364754479.db2.gz CBETVLVHTBBWSZ-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccco1 ZINC000157100453 364754236 /nfs/dbraw/zinc/75/42/36/364754236.db2.gz CBETVLVHTBBWSZ-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccsc1 ZINC000157101628 387738875 /nfs/dbraw/zinc/73/88/75/387738875.db2.gz RTXMAWSWXXSBHU-VIFPVBQESA-N 1 0 229.414 3.540 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1ccsc1 ZINC000157101778 387738736 /nfs/dbraw/zinc/73/87/36/387738736.db2.gz RTXMAWSWXXSBHU-SECBINFHSA-N 1 0 229.414 3.540 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(C)(C)SC ZINC000157101942 632897106 /nfs/dbraw/zinc/89/71/06/632897106.db2.gz NSSQHRLBSDAKLN-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(C)(C)SC ZINC000157102120 640572114 /nfs/dbraw/zinc/57/21/14/640572114.db2.gz NSSQHRLBSDAKLN-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCCCC1(C)C ZINC000157103672 632414899 /nfs/dbraw/zinc/41/48/99/632414899.db2.gz RDOKIBZQSXSHQW-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000157103810 640572903 /nfs/dbraw/zinc/57/29/03/640572903.db2.gz RDOKIBZQSXSHQW-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000157113956 191116797 /nfs/dbraw/zinc/11/67/97/191116797.db2.gz AZRUZOCQZXDBEX-YPMHNXCESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000157114065 201544722 /nfs/dbraw/zinc/54/47/22/201544722.db2.gz AZRUZOCQZXDBEX-AAEUAGOBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000157114188 387742594 /nfs/dbraw/zinc/74/25/94/387742594.db2.gz AZRUZOCQZXDBEX-DGCLKSJQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000157114331 387741350 /nfs/dbraw/zinc/74/13/50/387741350.db2.gz AZRUZOCQZXDBEX-WCQYABFASA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000157120692 179552059 /nfs/dbraw/zinc/55/20/59/179552059.db2.gz IIBGQALBPVIUSL-GHMZBOCLSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000157120837 179554465 /nfs/dbraw/zinc/55/44/65/179554465.db2.gz IIBGQALBPVIUSL-WDEREUQCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000157120982 179551924 /nfs/dbraw/zinc/55/19/24/179551924.db2.gz IIBGQALBPVIUSL-MNOVXSKESA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000157121122 387740454 /nfs/dbraw/zinc/74/04/54/387740454.db2.gz IIBGQALBPVIUSL-QWRGUYRKSA-N 1 0 241.425 3.603 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCSC1 ZINC000157126155 191777734 /nfs/dbraw/zinc/77/77/34/191777734.db2.gz CSZBOEDSRXDDJM-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCSC1 ZINC000157126433 191090433 /nfs/dbraw/zinc/09/04/33/191090433.db2.gz CSZBOEDSRXDDJM-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000157134671 201545980 /nfs/dbraw/zinc/54/59/80/201545980.db2.gz RXTIBMYQSMONAS-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000157134981 387744774 /nfs/dbraw/zinc/74/47/74/387744774.db2.gz RXTIBMYQSMONAS-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CCC[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000157136029 326258280 /nfs/dbraw/zinc/25/82/80/326258280.db2.gz YYLISPHHFNEUFU-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)s1 ZINC000157141888 538811420 /nfs/dbraw/zinc/81/14/20/538811420.db2.gz YXHXBEPAQABHIH-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC2CCC2)s1 ZINC000157142036 538111216 /nfs/dbraw/zinc/11/12/16/538111216.db2.gz YXHXBEPAQABHIH-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC2CCC2)s1 ZINC000157142183 538811098 /nfs/dbraw/zinc/81/10/98/538811098.db2.gz YXHXBEPAQABHIH-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)CC2CCC2)s1 ZINC000157142334 538810524 /nfs/dbraw/zinc/81/05/24/538810524.db2.gz YXHXBEPAQABHIH-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCC1(C)C ZINC000157148464 566477285 /nfs/dbraw/zinc/47/72/85/566477285.db2.gz TYYZXLRFIWPCHI-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC1(C)C ZINC000157148622 566477316 /nfs/dbraw/zinc/47/73/16/566477316.db2.gz TYYZXLRFIWPCHI-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCC1(C)C ZINC000157148751 566477298 /nfs/dbraw/zinc/47/72/98/566477298.db2.gz TYYZXLRFIWPCHI-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC1(C)C ZINC000157148890 566477344 /nfs/dbraw/zinc/47/73/44/566477344.db2.gz TYYZXLRFIWPCHI-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)nc1 ZINC000157161909 385090250 /nfs/dbraw/zinc/09/02/50/385090250.db2.gz WAXLTFLUNOFRAA-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)nc1 ZINC000157162062 385090697 /nfs/dbraw/zinc/09/06/97/385090697.db2.gz WAXLTFLUNOFRAA-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)COCC ZINC000157197694 641616942 /nfs/dbraw/zinc/61/69/42/641616942.db2.gz UINDWYHTUAOVQD-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)COCC ZINC000157197821 641615771 /nfs/dbraw/zinc/61/57/71/641615771.db2.gz UINDWYHTUAOVQD-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000157197975 641616915 /nfs/dbraw/zinc/61/69/15/641616915.db2.gz UJVNUIHNKZXMAO-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@@H](C)OC ZINC000157198127 641616047 /nfs/dbraw/zinc/61/60/47/641616047.db2.gz UJVNUIHNKZXMAO-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@H](C)OC ZINC000157198253 641616070 /nfs/dbraw/zinc/61/60/70/641616070.db2.gz UJVNUIHNKZXMAO-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@H](C)OC ZINC000157198368 641615578 /nfs/dbraw/zinc/61/55/78/641615578.db2.gz UJVNUIHNKZXMAO-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccsc1 ZINC000157304294 326267038 /nfs/dbraw/zinc/26/70/38/326267038.db2.gz JJAGTERGUWTADN-YUTCNCBUSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccsc1 ZINC000157304585 326267005 /nfs/dbraw/zinc/26/70/05/326267005.db2.gz JJAGTERGUWTADN-IACUBPJLSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000157306298 387783594 /nfs/dbraw/zinc/78/35/94/387783594.db2.gz VVLUHMQJKASROW-GZBFAFLISA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1cccs1 ZINC000157308425 538818811 /nfs/dbraw/zinc/81/88/11/538818811.db2.gz XQMYJLLUWDSRKK-SCRDCRAPSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1cccs1 ZINC000157308727 538818216 /nfs/dbraw/zinc/81/82/16/538818216.db2.gz XQMYJLLUWDSRKK-OUCADQQQSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000157314493 191092007 /nfs/dbraw/zinc/09/20/07/191092007.db2.gz LSYUHEVQJLEXPP-LOWVWBTDSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000157314790 386041544 /nfs/dbraw/zinc/04/15/44/386041544.db2.gz LSYUHEVQJLEXPP-DMDPSCGWSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000157315695 386050022 /nfs/dbraw/zinc/05/00/22/386050022.db2.gz ZSBBPKNDMJZYJO-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000157316012 386031580 /nfs/dbraw/zinc/03/15/80/386031580.db2.gz ZSBBPKNDMJZYJO-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000157316907 387785372 /nfs/dbraw/zinc/78/53/72/387785372.db2.gz CDABONSLKBRUKD-XQQFMLRXSA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000157317220 387784964 /nfs/dbraw/zinc/78/49/64/387784964.db2.gz CDABONSLKBRUKD-YNEHKIRRSA-N 1 0 221.344 3.817 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C1CCC1 ZINC000157319346 387783082 /nfs/dbraw/zinc/78/30/82/387783082.db2.gz MWYMAVAXPOWOBT-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C1CCC1 ZINC000157319496 201566321 /nfs/dbraw/zinc/56/63/21/201566321.db2.gz MWYMAVAXPOWOBT-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)C1CCC1 ZINC000157319628 387785226 /nfs/dbraw/zinc/78/52/26/387785226.db2.gz MWYMAVAXPOWOBT-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C1CCC1 ZINC000157319783 386041228 /nfs/dbraw/zinc/04/12/28/386041228.db2.gz MWYMAVAXPOWOBT-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccccc1Cl ZINC000157325073 640667552 /nfs/dbraw/zinc/66/75/52/640667552.db2.gz MRVYDWIOFOAFLW-IYNCYZAOSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccccc1Cl ZINC000157325207 640667496 /nfs/dbraw/zinc/66/74/96/640667496.db2.gz MRVYDWIOFOAFLW-ILFKPUCNSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CC(C)(C)C1 ZINC000157333417 538819687 /nfs/dbraw/zinc/81/96/87/538819687.db2.gz SCULZQPPALIKCD-YPMHNXCESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC=CC2)CC(C)(C)C1 ZINC000157333584 538819568 /nfs/dbraw/zinc/81/95/68/538819568.db2.gz SCULZQPPALIKCD-AAEUAGOBSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CC(C)(C)C1 ZINC000157333743 538819433 /nfs/dbraw/zinc/81/94/33/538819433.db2.gz SCULZQPPALIKCD-DGCLKSJQSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CC(C)(C)C1 ZINC000157333894 538819712 /nfs/dbraw/zinc/81/97/12/538819712.db2.gz SCULZQPPALIKCD-WCQYABFASA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)C1CCC([NH2+]C2CC=CC2)CC1 ZINC000157334695 538819390 /nfs/dbraw/zinc/81/93/90/538819390.db2.gz SZQCRGCPRRZNCF-UHFFFAOYSA-N 1 0 221.388 3.900 20 0 BHADRO CCCC1CCC([NH2+]C2CC=CC2)CC1 ZINC000157337155 538819596 /nfs/dbraw/zinc/81/95/96/538819596.db2.gz VIMZMYWFAMFOSI-UHFFFAOYSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C1CC=CC1 ZINC000157340515 538820779 /nfs/dbraw/zinc/82/07/79/538820779.db2.gz ROBQGGAGBNJVLX-UHFFFAOYSA-N 1 0 209.377 3.755 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000157341011 641619140 /nfs/dbraw/zinc/61/91/40/641619140.db2.gz PXCFORWKNYLSDV-GZBFAFLISA-N 1 0 219.372 3.654 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000157341155 641618011 /nfs/dbraw/zinc/61/80/11/641618011.db2.gz PXCFORWKNYLSDV-KCQAQPDRSA-N 1 0 219.372 3.654 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000157352498 538822709 /nfs/dbraw/zinc/82/27/09/538822709.db2.gz ZJLDCCWQRZYWLJ-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000157352642 538822431 /nfs/dbraw/zinc/82/24/31/538822431.db2.gz ZJLDCCWQRZYWLJ-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000157352785 538823541 /nfs/dbraw/zinc/82/35/41/538823541.db2.gz ZJLDCCWQRZYWLJ-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000157352934 538822845 /nfs/dbraw/zinc/82/28/45/538822845.db2.gz ZJLDCCWQRZYWLJ-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccoc2)s1 ZINC000157355440 188158302 /nfs/dbraw/zinc/15/83/02/188158302.db2.gz AAXKBWQBODPXFF-UHFFFAOYSA-N 1 0 249.379 3.928 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC=CC1 ZINC000157356739 538823722 /nfs/dbraw/zinc/82/37/22/538823722.db2.gz UFLSFBMRDPKVHD-YPMHNXCESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC=CC1 ZINC000157356900 538823108 /nfs/dbraw/zinc/82/31/08/538823108.db2.gz UFLSFBMRDPKVHD-AAEUAGOBSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC=CC1 ZINC000157357046 538821557 /nfs/dbraw/zinc/82/15/57/538821557.db2.gz UFLSFBMRDPKVHD-DGCLKSJQSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC=CC1 ZINC000157357202 538822632 /nfs/dbraw/zinc/82/26/32/538822632.db2.gz UFLSFBMRDPKVHD-WCQYABFASA-N 1 0 207.361 3.509 20 0 BHADRO Cc1ncccc1C[NH+](CC(C)C)CC(C)C ZINC000157358647 326270606 /nfs/dbraw/zinc/27/06/06/326270606.db2.gz LREHMEKVSLHSNH-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ncsc1C[NH+](CC(C)C)CC(C)C ZINC000157358815 326270880 /nfs/dbraw/zinc/27/08/80/326270880.db2.gz OAOYDZDNPGZYBX-UHFFFAOYSA-N 1 0 240.416 3.566 20 0 BHADRO CC(C)c1ncc(C[NH+]2CCCCCC2)s1 ZINC000157368508 326270830 /nfs/dbraw/zinc/27/08/30/326270830.db2.gz RXTKJIHWQJZVQQ-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CSCCC[N@H+](C)Cc1ccccc1Cl ZINC000157372561 398340260 /nfs/dbraw/zinc/34/02/60/398340260.db2.gz UZDBEKMCQNXXBV-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO c1cnc2ccc(C[NH+]3CCCCCC3)cc2c1 ZINC000157375488 387790254 /nfs/dbraw/zinc/79/02/54/387790254.db2.gz TZQHPUKJXOIMNP-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000157388544 385500576 /nfs/dbraw/zinc/50/05/76/385500576.db2.gz IUDGVSMJPRLGJP-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000157388690 171286724 /nfs/dbraw/zinc/28/67/24/171286724.db2.gz IUDGVSMJPRLGJP-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000157388819 385500801 /nfs/dbraw/zinc/50/08/01/385500801.db2.gz IUDGVSMJPRLGJP-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000157388950 171288291 /nfs/dbraw/zinc/28/82/91/171288291.db2.gz IUDGVSMJPRLGJP-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO c1cc2c(cccc2C[NH+]2CCCCCC2)[nH]1 ZINC000157389103 326271896 /nfs/dbraw/zinc/27/18/96/326271896.db2.gz ZFKCCKASQKVZDN-UHFFFAOYSA-N 1 0 228.339 3.544 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000157403515 385499545 /nfs/dbraw/zinc/49/95/45/385499545.db2.gz YKUBFJYYRRQGEN-LLVKDONJSA-N 1 0 241.425 3.638 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000157403686 385499839 /nfs/dbraw/zinc/49/98/39/385499839.db2.gz YKUBFJYYRRQGEN-NSHDSACASA-N 1 0 241.425 3.638 20 0 BHADRO CSCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000157410549 387793004 /nfs/dbraw/zinc/79/30/04/387793004.db2.gz VUEOSDHYHZVGMY-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO FC(F)(F)CCCC[NH+](CC1CC1)CC1CC1 ZINC000157416342 326273726 /nfs/dbraw/zinc/27/37/26/326273726.db2.gz WAMAZQPKVCHWKW-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000157452183 541488501 /nfs/dbraw/zinc/48/85/01/541488501.db2.gz WHFVAPNIGUZBQR-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000157452336 541488428 /nfs/dbraw/zinc/48/84/28/541488428.db2.gz WHFVAPNIGUZBQR-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000157452476 538827000 /nfs/dbraw/zinc/82/70/00/538827000.db2.gz WHFVAPNIGUZBQR-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000157452610 538107270 /nfs/dbraw/zinc/10/72/70/538107270.db2.gz WHFVAPNIGUZBQR-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000157466286 387800188 /nfs/dbraw/zinc/80/01/88/387800188.db2.gz AGXSKEPPJNCDSW-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000157466421 387800642 /nfs/dbraw/zinc/80/06/42/387800642.db2.gz AGXSKEPPJNCDSW-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000157467962 326276760 /nfs/dbraw/zinc/27/67/60/326276760.db2.gz VXWVHJSDHIYLCL-GFCCVEGCSA-N 1 0 209.358 3.513 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000157468105 326276567 /nfs/dbraw/zinc/27/65/67/326276567.db2.gz VXWVHJSDHIYLCL-LBPRGKRZSA-N 1 0 209.358 3.513 20 0 BHADRO Fc1ccc(C[NH2+]CCCC2CC2)c(Cl)c1 ZINC000157472199 326276910 /nfs/dbraw/zinc/27/69/10/326276910.db2.gz QZYSYPXTGSYQAC-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000157483655 711624363 /nfs/dbraw/zinc/62/43/63/711624363.db2.gz RGNOCDSKPFDOBB-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000157483797 711828333 /nfs/dbraw/zinc/82/83/33/711828333.db2.gz RGNOCDSKPFDOBB-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO Fc1ccc(C[NH2+]CCC2CCC2)c(Cl)c1 ZINC000157487048 711828214 /nfs/dbraw/zinc/82/82/14/711828214.db2.gz KSCTXRMVYRJEAY-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000157494125 387806084 /nfs/dbraw/zinc/80/60/84/387806084.db2.gz KDJGYJZQDLNJHB-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000157494274 191116457 /nfs/dbraw/zinc/11/64/57/191116457.db2.gz KDJGYJZQDLNJHB-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO COCc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000157499243 326278928 /nfs/dbraw/zinc/27/89/28/326278928.db2.gz MSKYGODAXPHEMK-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)C1CCCCC1 ZINC000157512628 326279722 /nfs/dbraw/zinc/27/97/22/326279722.db2.gz PRLNHXHVUFAQDF-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000157535182 191116394 /nfs/dbraw/zinc/11/63/94/191116394.db2.gz MYZSRBLZHQCEOM-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000157535335 387826302 /nfs/dbraw/zinc/82/63/02/387826302.db2.gz MYZSRBLZHQCEOM-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2)c1 ZINC000157562178 387847049 /nfs/dbraw/zinc/84/70/49/387847049.db2.gz WAQLWNXJHZDRKX-UHFFFAOYSA-N 1 0 245.753 3.938 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCCC2)nc1 ZINC000157569979 538830696 /nfs/dbraw/zinc/83/06/96/538830696.db2.gz SLCPRRXPKHCDBL-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157573223 385509803 /nfs/dbraw/zinc/50/98/03/385509803.db2.gz DDKCZNHWOLZMSP-GFCCVEGCSA-N 1 0 249.402 3.563 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157573376 187301084 /nfs/dbraw/zinc/30/10/84/187301084.db2.gz DDKCZNHWOLZMSP-LBPRGKRZSA-N 1 0 249.402 3.563 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000157603441 191116566 /nfs/dbraw/zinc/11/65/66/191116566.db2.gz DYRSAMJQRPYNPV-STQMWFEESA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000157603594 193006044 /nfs/dbraw/zinc/00/60/44/193006044.db2.gz DYRSAMJQRPYNPV-OLZOCXBDSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000157603725 193006260 /nfs/dbraw/zinc/00/62/60/193006260.db2.gz DYRSAMJQRPYNPV-QWHCGFSZSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000157603858 191943007 /nfs/dbraw/zinc/94/30/07/191943007.db2.gz DYRSAMJQRPYNPV-CHWSQXEVSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)[N@H+](CCCCC(F)(F)F)C1CCC1 ZINC000157621662 326287408 /nfs/dbraw/zinc/28/74/08/326287408.db2.gz FRWICXKCFSVTIZ-UHFFFAOYSA-N 1 0 237.309 3.982 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000157715642 193019519 /nfs/dbraw/zinc/01/95/19/193019519.db2.gz IIKXQKRIYOIMPU-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000157715770 193019415 /nfs/dbraw/zinc/01/94/15/193019415.db2.gz IIKXQKRIYOIMPU-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO C[C@H](SCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000157725770 326292708 /nfs/dbraw/zinc/29/27/08/326292708.db2.gz YBLHENVGQPYOAH-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO C[C@@H](SCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000157725925 326292822 /nfs/dbraw/zinc/29/28/22/326292822.db2.gz YBLHENVGQPYOAH-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO Cc1cccc(N2CCC3(C2)CCCCC3)n1 ZINC000157726739 385261888 /nfs/dbraw/zinc/26/18/88/385261888.db2.gz KOLMWPFLHHCREH-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCC1 ZINC000157730245 326293097 /nfs/dbraw/zinc/29/30/97/326293097.db2.gz UMHPIFOOMBFJDL-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCC1 ZINC000157730411 326293208 /nfs/dbraw/zinc/29/32/08/326293208.db2.gz UMHPIFOOMBFJDL-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCC1 ZINC000157730546 326293175 /nfs/dbraw/zinc/29/31/75/326293175.db2.gz UMHPIFOOMBFJDL-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCC1 ZINC000157730694 326293069 /nfs/dbraw/zinc/29/30/69/326293069.db2.gz UMHPIFOOMBFJDL-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000157736783 326293554 /nfs/dbraw/zinc/29/35/54/326293554.db2.gz OYVCIFBYSAAMMG-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000157736930 326293624 /nfs/dbraw/zinc/29/36/24/326293624.db2.gz OYVCIFBYSAAMMG-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CCCC1 ZINC000157837997 193030822 /nfs/dbraw/zinc/03/08/22/193030822.db2.gz OWRCPXJXMWQHNK-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CCCC1 ZINC000157838128 191116819 /nfs/dbraw/zinc/11/68/19/191116819.db2.gz OWRCPXJXMWQHNK-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@H](SCC[NH+](C)C)c1ccc(F)cc1 ZINC000157838556 326297399 /nfs/dbraw/zinc/29/73/99/326297399.db2.gz UNVBNUNXJXWBPZ-ZDUSSCGKSA-N 1 0 241.375 3.572 20 0 BHADRO CC[C@@H](SCC[NH+](C)C)c1ccc(F)cc1 ZINC000157838703 326297487 /nfs/dbraw/zinc/29/74/87/326297487.db2.gz UNVBNUNXJXWBPZ-CYBMUJFWSA-N 1 0 241.375 3.572 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CCCC1 ZINC000157839516 191109998 /nfs/dbraw/zinc/10/99/98/191109998.db2.gz OWRCPXJXMWQHNK-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1CCCC1 ZINC000157839663 191109914 /nfs/dbraw/zinc/10/99/14/191109914.db2.gz OWRCPXJXMWQHNK-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000157842471 385528319 /nfs/dbraw/zinc/52/83/19/385528319.db2.gz ZDFJONLRYMVFHG-NSHDSACASA-N 1 0 235.352 3.843 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000157842626 385528271 /nfs/dbraw/zinc/52/82/71/385528271.db2.gz ZDFJONLRYMVFHG-LLVKDONJSA-N 1 0 235.352 3.843 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(O)c1 ZINC000157847505 176033351 /nfs/dbraw/zinc/03/33/51/176033351.db2.gz CSQOLRUUIFNPMZ-NSHDSACASA-N 1 0 247.363 3.647 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(O)c1 ZINC000157847655 177048891 /nfs/dbraw/zinc/04/88/91/177048891.db2.gz CSQOLRUUIFNPMZ-LLVKDONJSA-N 1 0 247.363 3.647 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000157857086 326298476 /nfs/dbraw/zinc/29/84/76/326298476.db2.gz WUGQPCUTVRARBG-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000157857266 326298565 /nfs/dbraw/zinc/29/85/65/326298565.db2.gz WUGQPCUTVRARBG-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000157908540 385535597 /nfs/dbraw/zinc/53/55/97/385535597.db2.gz QGTUCRLKQQENSU-GFCCVEGCSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCc2sccc21 ZINC000157908678 385536090 /nfs/dbraw/zinc/53/60/90/385536090.db2.gz QGTUCRLKQQENSU-LBPRGKRZSA-N 1 0 247.363 3.817 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000157956147 191112668 /nfs/dbraw/zinc/11/26/68/191112668.db2.gz ZJITUBNCNGPXEM-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000157956284 191112597 /nfs/dbraw/zinc/11/25/97/191112597.db2.gz ZJITUBNCNGPXEM-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000157984661 326302672 /nfs/dbraw/zinc/30/26/72/326302672.db2.gz ASWDUNAXHWATKR-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000157984804 326302948 /nfs/dbraw/zinc/30/29/48/326302948.db2.gz ASWDUNAXHWATKR-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000157984934 326303106 /nfs/dbraw/zinc/30/31/06/326303106.db2.gz ASWDUNAXHWATKR-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO COc1ccccc1[C@H]1CC[N@H+](CCC(C)C)C1 ZINC000157984992 383856581 /nfs/dbraw/zinc/85/65/81/383856581.db2.gz HIYSTFMXEJMPIV-AWEZNQCLSA-N 1 0 247.382 3.531 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000157985087 323071599 /nfs/dbraw/zinc/07/15/99/323071599.db2.gz ASWDUNAXHWATKR-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO COc1ccccc1[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC000157985138 346389537 /nfs/dbraw/zinc/38/95/37/346389537.db2.gz HIYSTFMXEJMPIV-CQSZACIVSA-N 1 0 247.382 3.531 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2)c(C)c1 ZINC000158007021 193046963 /nfs/dbraw/zinc/04/69/63/193046963.db2.gz RXEPMDRCUDFWJD-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2)c(C)c1 ZINC000158007177 193046768 /nfs/dbraw/zinc/04/67/68/193046768.db2.gz RXEPMDRCUDFWJD-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCCCS1)c1ccccc1 ZINC000158008864 193047212 /nfs/dbraw/zinc/04/72/12/193047212.db2.gz FPSMNMJFIZOUAB-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCCS1)c1ccccc1 ZINC000158009005 193046412 /nfs/dbraw/zinc/04/64/12/193046412.db2.gz FPSMNMJFIZOUAB-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000158009163 193046755 /nfs/dbraw/zinc/04/67/55/193046755.db2.gz FPSMNMJFIZOUAB-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000158009302 193047245 /nfs/dbraw/zinc/04/72/45/193047245.db2.gz FPSMNMJFIZOUAB-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H]2CCCCS2)c1C ZINC000158010140 193047112 /nfs/dbraw/zinc/04/71/12/193047112.db2.gz SSIRGKWOJWAUGE-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H]2CCCCS2)c1C ZINC000158010286 193046407 /nfs/dbraw/zinc/04/64/07/193046407.db2.gz SSIRGKWOJWAUGE-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000158025628 326304922 /nfs/dbraw/zinc/30/49/22/326304922.db2.gz RECSDBOWKMWIBF-JTQLQIEISA-N 1 0 247.313 3.802 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000158025763 326304843 /nfs/dbraw/zinc/30/48/43/326304843.db2.gz RECSDBOWKMWIBF-SNVBAGLBSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1coc2ccccc12 ZINC000158038594 326305838 /nfs/dbraw/zinc/30/58/38/326305838.db2.gz JDXDFEQGBVTWLQ-NSHDSACASA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1coc2ccccc12 ZINC000158038714 326305752 /nfs/dbraw/zinc/30/57/52/326305752.db2.gz JDXDFEQGBVTWLQ-LLVKDONJSA-N 1 0 229.323 3.663 20 0 BHADRO CCC[NH+](CCC)Cc1cnc(C(C)C)s1 ZINC000158045545 326305650 /nfs/dbraw/zinc/30/56/50/326305650.db2.gz XOJBJKDKJFWRPG-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO CCC[NH+](CCC)Cc1ccc2ncccc2c1 ZINC000158050289 326306047 /nfs/dbraw/zinc/30/60/47/326306047.db2.gz MZUTUVKJMDZWGL-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158051792 193050401 /nfs/dbraw/zinc/05/04/01/193050401.db2.gz IWZMRRXIHFESDI-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158051939 193050314 /nfs/dbraw/zinc/05/03/14/193050314.db2.gz IWZMRRXIHFESDI-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO CCC[NH+](CCC)CC1=Cc2ccccc2OC1 ZINC000158051952 326306218 /nfs/dbraw/zinc/30/62/18/326306218.db2.gz JFMFJYVIZOHFJN-UHFFFAOYSA-N 1 0 245.366 3.584 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158052087 193050802 /nfs/dbraw/zinc/05/08/02/193050802.db2.gz IWZMRRXIHFESDI-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158052229 193050758 /nfs/dbraw/zinc/05/07/58/193050758.db2.gz IWZMRRXIHFESDI-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000158055165 385332113 /nfs/dbraw/zinc/33/21/13/385332113.db2.gz BNKPUOGTGCOWMJ-ZFWWWQNUSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000158055309 385331447 /nfs/dbraw/zinc/33/14/47/385331447.db2.gz BNKPUOGTGCOWMJ-DZGCQCFKSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCCS1 ZINC000158055458 385333003 /nfs/dbraw/zinc/33/30/03/385333003.db2.gz BNKPUOGTGCOWMJ-HIFRSBDPSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCCS1 ZINC000158055618 133496462 /nfs/dbraw/zinc/49/64/62/133496462.db2.gz BNKPUOGTGCOWMJ-UKRRQHHQSA-N 1 0 247.407 3.549 20 0 BHADRO CCC[NH+](CCC)Cc1cnc(C2CC2)s1 ZINC000158058013 326306694 /nfs/dbraw/zinc/30/66/94/326306694.db2.gz MBKWEOBPIBHNDA-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCCC[NH+](CCCC)Cc1cncs1 ZINC000158061451 385546815 /nfs/dbraw/zinc/54/68/15/385546815.db2.gz SGRIUZANOGJKED-UHFFFAOYSA-N 1 0 226.389 3.545 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CCC1CCC1 ZINC000158063837 632458790 /nfs/dbraw/zinc/45/87/90/632458790.db2.gz KEYAFFWBEANGCO-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CCC1CCC1 ZINC000158063987 632458284 /nfs/dbraw/zinc/45/82/84/632458284.db2.gz KEYAFFWBEANGCO-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CCCC[NH+](CCCC)Cc1scnc1C ZINC000158064932 326307003 /nfs/dbraw/zinc/30/70/03/326307003.db2.gz RNHRXFWKHHAFTA-UHFFFAOYSA-N 1 0 240.416 3.854 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000158072581 326307287 /nfs/dbraw/zinc/30/72/87/326307287.db2.gz GNQRDEPGPXIACL-SUNKGSAMSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000158072874 326307616 /nfs/dbraw/zinc/30/76/16/326307616.db2.gz GNQRDEPGPXIACL-UHIISALHSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000158080576 326307650 /nfs/dbraw/zinc/30/76/50/326307650.db2.gz GRPXQSYYWDMSKZ-PCAWENJQSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CCC(C)(C)C ZINC000158080626 201609263 /nfs/dbraw/zinc/60/92/63/201609263.db2.gz XIYYVPNNTVYKDX-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000158080722 326307524 /nfs/dbraw/zinc/30/75/24/326307524.db2.gz GRPXQSYYWDMSKZ-AAOUONPWSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CCC(C)(C)C ZINC000158080762 387890014 /nfs/dbraw/zinc/89/00/14/387890014.db2.gz XIYYVPNNTVYKDX-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CCCC1CC1 ZINC000158081835 323013041 /nfs/dbraw/zinc/01/30/41/323013041.db2.gz DHUPELDPQXGTJJ-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CCCC1CC1 ZINC000158081997 326307649 /nfs/dbraw/zinc/30/76/49/326307649.db2.gz DHUPELDPQXGTJJ-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cncc2ccccc21 ZINC000158087654 640806600 /nfs/dbraw/zinc/80/66/00/640806600.db2.gz DBZYRUXZYHCVCS-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158091514 387893824 /nfs/dbraw/zinc/89/38/24/387893824.db2.gz UQHJKZRNYKZUTH-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000158091674 201610884 /nfs/dbraw/zinc/61/08/84/201610884.db2.gz UQHJKZRNYKZUTH-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO CCC(CC)C[NH2+]Cc1cncc2ccccc21 ZINC000158096225 632458052 /nfs/dbraw/zinc/45/80/52/632458052.db2.gz IJUJILVWBHJHPS-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO c1ccc2c(c1)cncc2C[NH2+]CCCC1CC1 ZINC000158103569 640805328 /nfs/dbraw/zinc/80/53/28/640805328.db2.gz DGFZNTPOOLPTNE-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158111474 167383275 /nfs/dbraw/zinc/38/32/75/167383275.db2.gz FGGZYSVREXRVMG-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158111620 188333956 /nfs/dbraw/zinc/33/39/56/188333956.db2.gz FGGZYSVREXRVMG-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000158111774 167385119 /nfs/dbraw/zinc/38/51/19/167385119.db2.gz FGGZYSVREXRVMG-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158111917 385183809 /nfs/dbraw/zinc/18/38/09/385183809.db2.gz QEQOJFRPOVFESX-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000158111926 385550037 /nfs/dbraw/zinc/55/00/37/385550037.db2.gz FGGZYSVREXRVMG-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000158112065 201624265 /nfs/dbraw/zinc/62/42/65/201624265.db2.gz QEQOJFRPOVFESX-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1C ZINC000158114558 387908600 /nfs/dbraw/zinc/90/86/00/387908600.db2.gz OKPIOGKMYVXCTJ-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1C ZINC000158114700 385198442 /nfs/dbraw/zinc/19/84/42/385198442.db2.gz OKPIOGKMYVXCTJ-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000158114935 387911518 /nfs/dbraw/zinc/91/15/18/387911518.db2.gz FAAACWQVOCVGHE-KGLIPLIRSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000158115055 346263734 /nfs/dbraw/zinc/26/37/34/346263734.db2.gz FAAACWQVOCVGHE-KBPBESRZSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000158115203 387910231 /nfs/dbraw/zinc/91/02/31/387910231.db2.gz FAAACWQVOCVGHE-ZIAGYGMSSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000158115355 323047491 /nfs/dbraw/zinc/04/74/91/323047491.db2.gz FAAACWQVOCVGHE-UONOGXRCSA-N 1 0 249.423 3.931 20 0 BHADRO c1ccc2c(c1)cncc2C[NH2+]CCC1CCC1 ZINC000158117333 640811504 /nfs/dbraw/zinc/81/15/04/640811504.db2.gz SVURDAZFXXGEOW-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158128759 387916534 /nfs/dbraw/zinc/91/65/34/387916534.db2.gz JJEDEFWLDHAEOL-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158128909 385473444 /nfs/dbraw/zinc/47/34/44/385473444.db2.gz JJEDEFWLDHAEOL-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000158129049 385549694 /nfs/dbraw/zinc/54/96/94/385549694.db2.gz JJEDEFWLDHAEOL-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000158129191 387916905 /nfs/dbraw/zinc/91/69/05/387916905.db2.gz JJEDEFWLDHAEOL-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO CCCC[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000158165373 326310728 /nfs/dbraw/zinc/31/07/28/326310728.db2.gz IOGWPFPASXFTAE-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CCCC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000158170270 326311039 /nfs/dbraw/zinc/31/10/39/326311039.db2.gz VUCDNLUNTUMIPS-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCCC[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC000158174372 326311036 /nfs/dbraw/zinc/31/10/36/326311036.db2.gz WKTFMWCQFOMBQZ-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)o1 ZINC000158190651 387937555 /nfs/dbraw/zinc/93/75/55/387937555.db2.gz OTRHISPFASWNHC-IONNQARKSA-N 1 0 235.249 3.580 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)o1 ZINC000158190795 387937033 /nfs/dbraw/zinc/93/70/33/387937033.db2.gz OTRHISPFASWNHC-CBAPKCEASA-N 1 0 235.249 3.580 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)o1 ZINC000158190940 387936919 /nfs/dbraw/zinc/93/69/19/387936919.db2.gz OTRHISPFASWNHC-VXNVDRBHSA-N 1 0 235.249 3.580 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)o1 ZINC000158191093 387937217 /nfs/dbraw/zinc/93/72/17/387937217.db2.gz OTRHISPFASWNHC-APPZFPTMSA-N 1 0 235.249 3.580 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1coc2ccccc12 ZINC000158207623 387940241 /nfs/dbraw/zinc/94/02/41/387940241.db2.gz GJMAICXUOZXFKJ-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCCCS1 ZINC000158210799 201640249 /nfs/dbraw/zinc/64/02/49/201640249.db2.gz RFHABBFLBAZVHY-PPYMECGQSA-N 1 0 247.407 3.575 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCCCS1 ZINC000158210938 387939781 /nfs/dbraw/zinc/93/97/81/387939781.db2.gz RFHABBFLBAZVHY-RZIFZGNASA-N 1 0 247.407 3.575 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)C(C)(C)C ZINC000158211735 387940204 /nfs/dbraw/zinc/94/02/04/387940204.db2.gz WUFZKUBRFYCVOR-NSHDSACASA-N 1 0 231.339 3.957 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)C(C)(C)C ZINC000158211883 387940095 /nfs/dbraw/zinc/94/00/95/387940095.db2.gz WUFZKUBRFYCVOR-LLVKDONJSA-N 1 0 231.339 3.957 20 0 BHADRO c1oc2ccccc2c1C[NH2+]CCCC1CC1 ZINC000158213929 538854479 /nfs/dbraw/zinc/85/44/79/538854479.db2.gz VOTDANLSHKXGFH-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCC1([NH2+]Cc2coc3ccccc23)CCC1 ZINC000158216868 385367581 /nfs/dbraw/zinc/36/75/81/385367581.db2.gz UUDDASOZKMPWHI-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO c1oc2ccccc2c1C[NH2+]CCC1CCC1 ZINC000158218271 632463758 /nfs/dbraw/zinc/46/37/58/632463758.db2.gz LWIIBPMLLDVQCS-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO COCCCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000158226041 323072460 /nfs/dbraw/zinc/07/24/60/323072460.db2.gz OWUYYMXJPASGGT-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000158226184 326312261 /nfs/dbraw/zinc/31/22/61/326312261.db2.gz OWUYYMXJPASGGT-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000158226328 326312187 /nfs/dbraw/zinc/31/21/87/326312187.db2.gz OWUYYMXJPASGGT-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000158226461 326312238 /nfs/dbraw/zinc/31/22/38/326312238.db2.gz OWUYYMXJPASGGT-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000158263765 323072650 /nfs/dbraw/zinc/07/26/50/323072650.db2.gz CDYPALBKMQNVOP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000158263924 326314501 /nfs/dbraw/zinc/31/45/01/326314501.db2.gz CDYPALBKMQNVOP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000158264033 326314332 /nfs/dbraw/zinc/31/43/32/326314332.db2.gz CDYPALBKMQNVOP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000158264172 326314324 /nfs/dbraw/zinc/31/43/24/326314324.db2.gz CDYPALBKMQNVOP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000158273368 343733858 /nfs/dbraw/zinc/73/38/58/343733858.db2.gz CSEULXMXGALFKS-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000158273663 385162697 /nfs/dbraw/zinc/16/26/97/385162697.db2.gz CSEULXMXGALFKS-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]CCCCOC)C1CCCCC1 ZINC000158277746 326314913 /nfs/dbraw/zinc/31/49/13/326314913.db2.gz OVJIRIVFSKVJFN-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOC)C1CCCCC1 ZINC000158277907 326314883 /nfs/dbraw/zinc/31/48/83/326314883.db2.gz OVJIRIVFSKVJFN-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO CC1CC([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000158296738 200748072 /nfs/dbraw/zinc/74/80/72/200748072.db2.gz CPWQKMNERGOYHJ-UHFFFAOYSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1ccon1 ZINC000158329968 538858390 /nfs/dbraw/zinc/85/83/90/538858390.db2.gz BDQANVHCLVYNJR-LBPRGKRZSA-N 1 0 236.359 3.513 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]Cc1ccon1 ZINC000158330112 538859292 /nfs/dbraw/zinc/85/92/92/538859292.db2.gz BDQANVHCLVYNJR-GFCCVEGCSA-N 1 0 236.359 3.513 20 0 BHADRO CSCCCCCCNc1cccc(C)[nH+]1 ZINC000158470421 641634855 /nfs/dbraw/zinc/63/48/55/641634855.db2.gz YKNBOQADLHDPJH-UHFFFAOYSA-N 1 0 238.400 3.725 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158497604 384236597 /nfs/dbraw/zinc/23/65/97/384236597.db2.gz YHRHYLUJHAXEPT-KBPBESRZSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158497745 384235891 /nfs/dbraw/zinc/23/58/91/384235891.db2.gz YHRHYLUJHAXEPT-KGLIPLIRSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000158497886 187641481 /nfs/dbraw/zinc/64/14/81/187641481.db2.gz YHRHYLUJHAXEPT-UONOGXRCSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000158498009 188158551 /nfs/dbraw/zinc/15/85/51/188158551.db2.gz YHRHYLUJHAXEPT-ZIAGYGMSSA-N 1 0 232.371 3.867 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158532514 326327041 /nfs/dbraw/zinc/32/70/41/326327041.db2.gz QCFCGNNSCHYZAT-VNHYZAJKSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158532653 326326955 /nfs/dbraw/zinc/32/69/55/326326955.db2.gz QCFCGNNSCHYZAT-KCQAQPDRSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158532798 326327008 /nfs/dbraw/zinc/32/70/08/326327008.db2.gz QCFCGNNSCHYZAT-IPYPFGDCSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158532944 326327296 /nfs/dbraw/zinc/32/72/96/326327296.db2.gz QCFCGNNSCHYZAT-YDHLFZDLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+]CCCC(C)C)c1ccccn1 ZINC000158551577 326327978 /nfs/dbraw/zinc/32/79/78/326327978.db2.gz AHOUWUHULGPNNW-AWEZNQCLSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CCCC(C)C)c1ccccn1 ZINC000158551718 326327887 /nfs/dbraw/zinc/32/78/87/326327887.db2.gz AHOUWUHULGPNNW-CQSZACIVSA-N 1 0 234.387 3.949 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)o1 ZINC000158577840 384248268 /nfs/dbraw/zinc/24/82/68/384248268.db2.gz JYASVZRNJQASHB-NWDGAFQWSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)o1 ZINC000158578015 384246993 /nfs/dbraw/zinc/24/69/93/384246993.db2.gz JYASVZRNJQASHB-RYUDHWBXSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)o1 ZINC000158578164 384247873 /nfs/dbraw/zinc/24/78/73/384247873.db2.gz JYASVZRNJQASHB-VXGBXAGGSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)o1 ZINC000158578308 384247545 /nfs/dbraw/zinc/24/75/45/384247545.db2.gz JYASVZRNJQASHB-NEPJUHHUSA-N 1 0 244.338 3.649 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158600885 387960273 /nfs/dbraw/zinc/96/02/73/387960273.db2.gz MYDIUYPERQEUEM-GHMZBOCLSA-N 1 0 237.412 3.791 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158601038 387959182 /nfs/dbraw/zinc/95/91/82/387959182.db2.gz MYDIUYPERQEUEM-WDEREUQCSA-N 1 0 237.412 3.791 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158601177 387959033 /nfs/dbraw/zinc/95/90/33/387959033.db2.gz MYDIUYPERQEUEM-MNOVXSKESA-N 1 0 237.412 3.791 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158601329 387959371 /nfs/dbraw/zinc/95/93/71/387959371.db2.gz MYDIUYPERQEUEM-QWRGUYRKSA-N 1 0 237.412 3.791 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000158607290 200724929 /nfs/dbraw/zinc/72/49/29/200724929.db2.gz YSKSAXPHRMUFFY-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO CC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158636596 344704227 /nfs/dbraw/zinc/70/42/27/344704227.db2.gz AVHXHTQRAFCNKU-GFCCVEGCSA-N 1 0 207.317 3.525 20 0 BHADRO CC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000158636750 344703903 /nfs/dbraw/zinc/70/39/03/344703903.db2.gz AVHXHTQRAFCNKU-LBPRGKRZSA-N 1 0 207.317 3.525 20 0 BHADRO CCSCC[C@@H](C)Nc1ccncc1Cl ZINC000158679865 361207674 /nfs/dbraw/zinc/20/76/74/361207674.db2.gz DKNQYNYMEJVLOB-SECBINFHSA-N 1 0 244.791 3.679 20 0 BHADRO CCSCC[C@H](C)Nc1ccncc1Cl ZINC000158679993 346661631 /nfs/dbraw/zinc/66/16/31/346661631.db2.gz DKNQYNYMEJVLOB-VIFPVBQESA-N 1 0 244.791 3.679 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000158686421 326337077 /nfs/dbraw/zinc/33/70/77/326337077.db2.gz JRDLTLCDRFKJHN-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1ccccc1 ZINC000158691829 326337380 /nfs/dbraw/zinc/33/73/80/326337380.db2.gz PQAUNWUMBYVFHN-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO CC[N@H+](Cc1ccsc1)Cc1ccccc1 ZINC000158696580 326338039 /nfs/dbraw/zinc/33/80/39/326338039.db2.gz RKVRWCFIAMZSPG-UHFFFAOYSA-N 1 0 231.364 3.770 20 0 BHADRO COc1ccc2ccccc2c1C[N@H+](C)C(C)C ZINC000158704377 326338902 /nfs/dbraw/zinc/33/89/02/326338902.db2.gz HJOYZJNVOXKTNL-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO CC(C)[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000158710234 326339237 /nfs/dbraw/zinc/33/92/37/326339237.db2.gz NEPSPJRDBSTSFA-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000158716945 384260169 /nfs/dbraw/zinc/26/01/69/384260169.db2.gz GPDLSIUKAZCBPA-UHFFFAOYSA-N 1 0 240.350 3.589 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000158718801 326340433 /nfs/dbraw/zinc/34/04/33/326340433.db2.gz ZRFJYHHOHVDKLF-UHFFFAOYSA-N 1 0 249.251 3.685 20 0 BHADRO Cc1cc([C@H]([NH2+]CC2CC2)C2CC2)ccc1F ZINC000158719254 326340401 /nfs/dbraw/zinc/34/04/01/326340401.db2.gz DQGPCZNRTHTPEA-OAHLLOKOSA-N 1 0 233.330 3.585 20 0 BHADRO Cc1cc([C@@H]([NH2+]CC2CC2)C2CC2)ccc1F ZINC000158719396 326340451 /nfs/dbraw/zinc/34/04/51/326340451.db2.gz DQGPCZNRTHTPEA-HNNXBMFYSA-N 1 0 233.330 3.585 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+](C)C(C)C ZINC000158721905 326340828 /nfs/dbraw/zinc/34/08/28/326340828.db2.gz SFWYWGGQQFDHRI-UHFFFAOYSA-N 1 0 217.312 3.581 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000158724575 326340901 /nfs/dbraw/zinc/34/09/01/326340901.db2.gz QTBPEXSSKKMIAG-UHFFFAOYSA-N 1 0 240.350 3.589 20 0 BHADRO CC(C)[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158727588 326340775 /nfs/dbraw/zinc/34/07/75/326340775.db2.gz PYALDMOVWMTIJT-UHFFFAOYSA-N 1 0 249.251 3.685 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000158727726 384262119 /nfs/dbraw/zinc/26/21/19/384262119.db2.gz FEGAKQJXOJOBBT-UHFFFAOYSA-N 1 0 240.350 3.589 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000158733580 384263598 /nfs/dbraw/zinc/26/35/98/384263598.db2.gz ACEDSOWFDSBFIN-UHFFFAOYSA-N 1 0 249.326 3.576 20 0 BHADRO COc1ccc(C[N@H+](C)C(C)C)c2ccccc12 ZINC000158740050 326341255 /nfs/dbraw/zinc/34/12/55/326341255.db2.gz MBOOFIXGQJTEJS-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000158744104 384764362 /nfs/dbraw/zinc/76/43/62/384764362.db2.gz KTPLIZCRYJCQAE-UHFFFAOYSA-N 1 0 249.251 3.685 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC(C)(C)C)cs1 ZINC000158854320 361212631 /nfs/dbraw/zinc/21/26/31/361212631.db2.gz RFZCSBQOUIOFCO-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC(C)(C)C)cs1 ZINC000158854452 361212509 /nfs/dbraw/zinc/21/25/09/361212509.db2.gz RFZCSBQOUIOFCO-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000158856865 168362929 /nfs/dbraw/zinc/36/29/29/168362929.db2.gz ISEACBHITNZZPB-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1csc(C)n1 ZINC000158857004 168365348 /nfs/dbraw/zinc/36/53/48/168365348.db2.gz ISEACBHITNZZPB-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000158869735 538869410 /nfs/dbraw/zinc/86/94/10/538869410.db2.gz LZOYHWAOHLKSIK-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000158869870 538869831 /nfs/dbraw/zinc/86/98/31/538869831.db2.gz LZOYHWAOHLKSIK-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000158885198 387971251 /nfs/dbraw/zinc/97/12/51/387971251.db2.gz HCJNAJQPJYXLAS-JTQLQIEISA-N 1 0 241.762 3.991 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000158885339 384709537 /nfs/dbraw/zinc/70/95/37/384709537.db2.gz HCJNAJQPJYXLAS-SNVBAGLBSA-N 1 0 241.762 3.991 20 0 BHADRO c1ccc(CC2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000158888969 641657138 /nfs/dbraw/zinc/65/71/38/641657138.db2.gz QPDMMFRQBOJHKX-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO Cc1[nH]c2ccccc2c1CC[NH2+][C@@H](C)C(C)C ZINC000158903048 326345743 /nfs/dbraw/zinc/34/57/43/326345743.db2.gz QNNLZFLESOGPOW-LBPRGKRZSA-N 1 0 244.382 3.653 20 0 BHADRO Cc1[nH]c2ccccc2c1CC[NH2+][C@H](C)C(C)C ZINC000158903183 326345738 /nfs/dbraw/zinc/34/57/38/326345738.db2.gz QNNLZFLESOGPOW-GFCCVEGCSA-N 1 0 244.382 3.653 20 0 BHADRO CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2C)s1 ZINC000158923290 326346305 /nfs/dbraw/zinc/34/63/05/326346305.db2.gz LGXKBIIQKFBWLC-LLVKDONJSA-N 1 0 238.400 3.641 20 0 BHADRO CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000158923401 326346267 /nfs/dbraw/zinc/34/62/67/326346267.db2.gz LGXKBIIQKFBWLC-NSHDSACASA-N 1 0 238.400 3.641 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000158932567 326346358 /nfs/dbraw/zinc/34/63/58/326346358.db2.gz IZIIGTDQMDEZFT-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000158932720 326346331 /nfs/dbraw/zinc/34/63/31/326346331.db2.gz IZIIGTDQMDEZFT-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000158952332 326346748 /nfs/dbraw/zinc/34/67/48/326346748.db2.gz DLEIQLUPXSHFNQ-GFCCVEGCSA-N 1 0 228.339 3.542 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000158952461 409953485 /nfs/dbraw/zinc/95/34/85/409953485.db2.gz DLEIQLUPXSHFNQ-LBPRGKRZSA-N 1 0 228.339 3.542 20 0 BHADRO CCCC[N@H+](CC)Cc1cnc(C(C)C)s1 ZINC000158970966 326347005 /nfs/dbraw/zinc/34/70/05/326347005.db2.gz OINQOUNRRWGUKL-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc2ncccc2c1 ZINC000158975614 343657062 /nfs/dbraw/zinc/65/70/62/343657062.db2.gz KVIRVXQPVHHGCO-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCCC[N@H+](CC)CC1=Cc2ccccc2OC1 ZINC000158977375 326347114 /nfs/dbraw/zinc/34/71/14/326347114.db2.gz HQVPOXXSWHIVGU-UHFFFAOYSA-N 1 0 245.366 3.584 20 0 BHADRO CCCC[N@H+](CC)Cc1cnc(C2CC2)s1 ZINC000158983662 323074373 /nfs/dbraw/zinc/07/43/73/323074373.db2.gz XZAVIOJPONPYDK-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1cncnc1 ZINC000158986754 538117439 /nfs/dbraw/zinc/11/74/39/538117439.db2.gz LHILWSDMTVVMQU-UHFFFAOYSA-N 1 0 249.402 3.659 20 0 BHADRO C[C@@H]1CC([NH2+]CC2CCSCC2)C[C@@H](C)C1 ZINC000158994819 201660304 /nfs/dbraw/zinc/66/03/04/201660304.db2.gz OBUVVSBFMROOJU-RYUDHWBXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CC([NH2+]CC2CCSCC2)C[C@H](C)C1 ZINC000158994952 384295910 /nfs/dbraw/zinc/29/59/10/384295910.db2.gz OBUVVSBFMROOJU-VXGBXAGGSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000158995091 387978808 /nfs/dbraw/zinc/97/88/08/387978808.db2.gz MCAIEYIPCXKWSS-ZNMIVQPWSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000158995169 167476530 /nfs/dbraw/zinc/47/65/30/167476530.db2.gz MCAIEYIPCXKWSS-KKUMJFAQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000158995312 387978986 /nfs/dbraw/zinc/97/89/86/387978986.db2.gz MCAIEYIPCXKWSS-RRFJBIMHSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000158995451 387978788 /nfs/dbraw/zinc/97/87/88/387978788.db2.gz MCAIEYIPCXKWSS-SOUVJXGZSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)c1ccccn1 ZINC000158996520 326347561 /nfs/dbraw/zinc/34/75/61/326347561.db2.gz QLFGQCXEBVGUHS-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)c1ccccn1 ZINC000158996616 326347618 /nfs/dbraw/zinc/34/76/18/326347618.db2.gz QLFGQCXEBVGUHS-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO CSC(C)(C)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000158999591 641660274 /nfs/dbraw/zinc/66/02/74/641660274.db2.gz XLQOCGDSKRTMQC-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000158999719 641659462 /nfs/dbraw/zinc/65/94/62/641659462.db2.gz XLQOCGDSKRTMQC-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1cccnc1 ZINC000159016085 176895951 /nfs/dbraw/zinc/89/59/51/176895951.db2.gz WMYKIRJAFWHKMZ-JGGQBBKZSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1cccnc1 ZINC000159016236 384295381 /nfs/dbraw/zinc/29/53/81/384295381.db2.gz WMYKIRJAFWHKMZ-BJJXKVORSA-N 1 0 244.382 3.701 20 0 BHADRO CCCCCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159027491 632505562 /nfs/dbraw/zinc/50/55/62/632505562.db2.gz BATFVKGYDHJFBM-AWEZNQCLSA-N 1 0 247.382 3.723 20 0 BHADRO CCCCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159027633 632505383 /nfs/dbraw/zinc/50/53/83/632505383.db2.gz BATFVKGYDHJFBM-CQSZACIVSA-N 1 0 247.382 3.723 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000159030460 387979721 /nfs/dbraw/zinc/97/97/21/387979721.db2.gz CTALSKUKCULNBF-CQLXCSJHSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000159030601 387980229 /nfs/dbraw/zinc/98/02/29/387980229.db2.gz CTALSKUKCULNBF-GMKTYKIGSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000159030740 387980942 /nfs/dbraw/zinc/98/09/42/387980942.db2.gz CTALSKUKCULNBF-IGJPJIBNSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000159030863 387981033 /nfs/dbraw/zinc/98/10/33/387981033.db2.gz CTALSKUKCULNBF-QCXCNERSSA-N 1 0 249.785 3.832 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159038735 345402439 /nfs/dbraw/zinc/40/24/39/345402439.db2.gz PYBASDGDPBKJPY-AWEZNQCLSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159038856 345402416 /nfs/dbraw/zinc/40/24/16/345402416.db2.gz PYBASDGDPBKJPY-CQSZACIVSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159039583 345402190 /nfs/dbraw/zinc/40/21/90/345402190.db2.gz BGJFLGUWHZRQPG-ZDUSSCGKSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159039703 345402261 /nfs/dbraw/zinc/40/22/61/345402261.db2.gz BGJFLGUWHZRQPG-CYBMUJFWSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000159042722 541491947 /nfs/dbraw/zinc/49/19/47/541491947.db2.gz OAIVOOACOIKUIG-BDAKNGLRSA-N 1 0 245.288 3.799 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000159042866 541492035 /nfs/dbraw/zinc/49/20/35/541492035.db2.gz OAIVOOACOIKUIG-IUCAKERBSA-N 1 0 245.288 3.799 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000159043001 541491911 /nfs/dbraw/zinc/49/19/11/541491911.db2.gz OAIVOOACOIKUIG-RKDXNWHRSA-N 1 0 245.288 3.799 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000159043126 541491994 /nfs/dbraw/zinc/49/19/94/541491994.db2.gz OAIVOOACOIKUIG-DTWKUNHWSA-N 1 0 245.288 3.799 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC(C)(C)C)c(C)s1 ZINC000159058373 538873311 /nfs/dbraw/zinc/87/33/11/538873311.db2.gz MRUYAJZPCJSCFG-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC(C)(C)C)c(C)s1 ZINC000159058500 538873833 /nfs/dbraw/zinc/87/38/33/538873833.db2.gz MRUYAJZPCJSCFG-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000159068065 538872984 /nfs/dbraw/zinc/87/29/84/538872984.db2.gz VATODRVUWIOFIU-UHFFFAOYSA-N 1 0 235.371 3.535 20 0 BHADRO CCC(CC)C[NH2+]C1CC(c2ccccc2)C1 ZINC000159078086 387982690 /nfs/dbraw/zinc/98/26/90/387982690.db2.gz NHZBGLWGNRXTDD-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159080073 387982840 /nfs/dbraw/zinc/98/28/40/387982840.db2.gz YZNPIJDHYWZKGB-AWEZNQCLSA-N 1 0 247.382 3.579 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159080225 387982227 /nfs/dbraw/zinc/98/22/27/387982227.db2.gz YZNPIJDHYWZKGB-CQSZACIVSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000159123882 387984928 /nfs/dbraw/zinc/98/49/28/387984928.db2.gz IJERVNUIKDPPKV-QWRGUYRKSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000159124014 385585749 /nfs/dbraw/zinc/58/57/49/385585749.db2.gz IJERVNUIKDPPKV-MNOVXSKESA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000159124168 201663973 /nfs/dbraw/zinc/66/39/73/201663973.db2.gz IJERVNUIKDPPKV-WDEREUQCSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000159124305 201663688 /nfs/dbraw/zinc/66/36/88/201663688.db2.gz IJERVNUIKDPPKV-GHMZBOCLSA-N 1 0 237.309 3.601 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000159132249 134762220 /nfs/dbraw/zinc/76/22/20/134762220.db2.gz CTLMBJLHFDGUJD-DZGCQCFKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000159132379 134762121 /nfs/dbraw/zinc/76/21/21/134762121.db2.gz CTLMBJLHFDGUJD-ZFWWWQNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000159132520 345411527 /nfs/dbraw/zinc/41/15/27/345411527.db2.gz CTLMBJLHFDGUJD-UKRRQHHQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000159132664 345411469 /nfs/dbraw/zinc/41/14/69/345411469.db2.gz CTLMBJLHFDGUJD-HIFRSBDPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[N@@H+](C(C)C)C1CCCC1 ZINC000159143973 538874815 /nfs/dbraw/zinc/87/48/15/538874815.db2.gz FCYOKAKQEZAZKG-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO Cc1ncsc1C[N@@H+](C(C)C)C1CCCC1 ZINC000159144179 323074966 /nfs/dbraw/zinc/07/49/66/323074966.db2.gz NIICYJSHKGGHHG-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO CC(C)[N@H+](Cc1ccsc1)C1CCCC1 ZINC000159145620 641668458 /nfs/dbraw/zinc/66/84/58/641668458.db2.gz QVAXFUOLINZZEC-UHFFFAOYSA-N 1 0 223.385 3.901 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000159159321 201667572 /nfs/dbraw/zinc/66/75/72/201667572.db2.gz BKDUMPILZNKJDH-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000159159469 387990095 /nfs/dbraw/zinc/99/00/95/387990095.db2.gz BKDUMPILZNKJDH-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000159179948 388000211 /nfs/dbraw/zinc/00/02/11/388000211.db2.gz MGVTXAVSFRKXHC-STQMWFEESA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000159180094 384364885 /nfs/dbraw/zinc/36/48/85/384364885.db2.gz MGVTXAVSFRKXHC-OLZOCXBDSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ccccn1 ZINC000159180237 348642013 /nfs/dbraw/zinc/64/20/13/348642013.db2.gz MGVTXAVSFRKXHC-QWHCGFSZSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ccccn1 ZINC000159180369 388000324 /nfs/dbraw/zinc/00/03/24/388000324.db2.gz MGVTXAVSFRKXHC-CHWSQXEVSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)OCC)c1ccccc1 ZINC000159188819 345414528 /nfs/dbraw/zinc/41/45/28/345414528.db2.gz FRALTHOPFMRSKT-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)OCC)c1ccccc1 ZINC000159188956 134763282 /nfs/dbraw/zinc/76/32/82/134763282.db2.gz FRALTHOPFMRSKT-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CCOC(C)(C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000159189529 387999376 /nfs/dbraw/zinc/99/93/76/387999376.db2.gz FZKUOCMXKNGLNN-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO CCCC1CCC([NH2+]CC(C)(C)OCC)CC1 ZINC000159210247 201672684 /nfs/dbraw/zinc/67/26/84/201672684.db2.gz PIOICWLTOCPFDW-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000159213449 384309739 /nfs/dbraw/zinc/30/97/39/384309739.db2.gz WUUBSHRWISHVDY-CYBMUJFWSA-N 1 0 249.398 3.715 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000159213622 388001742 /nfs/dbraw/zinc/00/17/42/388001742.db2.gz WUUBSHRWISHVDY-ZDUSSCGKSA-N 1 0 249.398 3.715 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000159225906 388003108 /nfs/dbraw/zinc/00/31/08/388003108.db2.gz WMTLWCGKQJDYPQ-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000159226023 388002966 /nfs/dbraw/zinc/00/29/66/388002966.db2.gz WMTLWCGKQJDYPQ-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000159226173 388003514 /nfs/dbraw/zinc/00/35/14/388003514.db2.gz WMTLWCGKQJDYPQ-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000159226309 388003291 /nfs/dbraw/zinc/00/32/91/388003291.db2.gz WMTLWCGKQJDYPQ-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000159227856 388002992 /nfs/dbraw/zinc/00/29/92/388002992.db2.gz YHNKUIVUPUOAOD-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000159227999 388003709 /nfs/dbraw/zinc/00/37/09/388003709.db2.gz YHNKUIVUPUOAOD-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000159228130 388003836 /nfs/dbraw/zinc/00/38/36/388003836.db2.gz YHNKUIVUPUOAOD-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000159228260 388003524 /nfs/dbraw/zinc/00/35/24/388003524.db2.gz YHNKUIVUPUOAOD-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000159231648 388005157 /nfs/dbraw/zinc/00/51/57/388005157.db2.gz DBKXPPYCXMINOA-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO CSCC[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000159233324 632514210 /nfs/dbraw/zinc/51/42/10/632514210.db2.gz XNCCATRQOWCAMB-SRVKXCTJSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000159233462 641673771 /nfs/dbraw/zinc/67/37/71/641673771.db2.gz XNCCATRQOWCAMB-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000159236393 541492668 /nfs/dbraw/zinc/49/26/68/541492668.db2.gz HFSFYXREJIIHHN-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000159236544 541492688 /nfs/dbraw/zinc/49/26/88/541492688.db2.gz HFSFYXREJIIHHN-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000159257209 388004339 /nfs/dbraw/zinc/00/43/39/388004339.db2.gz HIUZVACZKYDWIE-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000159257361 388004753 /nfs/dbraw/zinc/00/47/53/388004753.db2.gz HIUZVACZKYDWIE-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000159258509 388004322 /nfs/dbraw/zinc/00/43/22/388004322.db2.gz HHYYAGULESMVSL-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000159258656 388005090 /nfs/dbraw/zinc/00/50/90/388005090.db2.gz HHYYAGULESMVSL-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000159260117 388004538 /nfs/dbraw/zinc/00/45/38/388004538.db2.gz BCWYRRCYSHUIEM-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000159260254 398051044 /nfs/dbraw/zinc/05/10/44/398051044.db2.gz BCWYRRCYSHUIEM-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000159261200 134767736 /nfs/dbraw/zinc/76/77/36/134767736.db2.gz OEZOFWCGCJUCTL-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000159261361 345420712 /nfs/dbraw/zinc/42/07/12/345420712.db2.gz OEZOFWCGCJUCTL-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO CCOC(C)(C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000159263656 388005227 /nfs/dbraw/zinc/00/52/27/388005227.db2.gz OUMWDALLFBQUSM-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CCOC(C)(C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000159263771 388004887 /nfs/dbraw/zinc/00/48/87/388004887.db2.gz OUMWDALLFBQUSM-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCOC(C)(C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000159263937 385710656 /nfs/dbraw/zinc/71/06/56/385710656.db2.gz CMUCCKWVVDLOAG-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000159264240 388004179 /nfs/dbraw/zinc/00/41/79/388004179.db2.gz ALUHIUNTEBUNSO-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000159264359 388004656 /nfs/dbraw/zinc/00/46/56/388004656.db2.gz ALUHIUNTEBUNSO-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000159271771 205555822 /nfs/dbraw/zinc/55/58/22/205555822.db2.gz MUBNAQZSZQGWKP-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000159271913 206087071 /nfs/dbraw/zinc/08/70/71/206087071.db2.gz MUBNAQZSZQGWKP-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCSCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC000159281778 205731076 /nfs/dbraw/zinc/73/10/76/205731076.db2.gz XASREKTVEPKECH-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCC[C@H](C)[NH2+]CC1CCCCC1 ZINC000159281909 201675983 /nfs/dbraw/zinc/67/59/83/201675983.db2.gz XASREKTVEPKECH-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCOC(C)(C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000159282025 201676310 /nfs/dbraw/zinc/67/63/10/201676310.db2.gz QJSCIKLMKNDUSC-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000159285943 388006388 /nfs/dbraw/zinc/00/63/88/388006388.db2.gz YXVCWTCRBUGPFU-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000159286217 388006679 /nfs/dbraw/zinc/00/66/79/388006679.db2.gz YXVCWTCRBUGPFU-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000159290798 345420301 /nfs/dbraw/zinc/42/03/01/345420301.db2.gz SWMVIQDVNRWUAH-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)c1ccccc1 ZINC000159290932 345420574 /nfs/dbraw/zinc/42/05/74/345420574.db2.gz SWMVIQDVNRWUAH-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CS[C@H](C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000159303956 388006457 /nfs/dbraw/zinc/00/64/57/388006457.db2.gz BKVBPFYABKUPED-PNESKVBLSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000159304106 206088719 /nfs/dbraw/zinc/08/87/19/206088719.db2.gz BKVBPFYABKUPED-HIFPTAJRSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000159309039 388006650 /nfs/dbraw/zinc/00/66/50/388006650.db2.gz PVPKHFDAPCFXFA-GFCCVEGCSA-N 1 0 237.412 3.651 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000159309159 385850282 /nfs/dbraw/zinc/85/02/82/385850282.db2.gz PVPKHFDAPCFXFA-LBPRGKRZSA-N 1 0 237.412 3.651 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H](C)SC)CC1 ZINC000159319048 206086959 /nfs/dbraw/zinc/08/69/59/206086959.db2.gz DKCYFHXLOWIBFL-PNESKVBLSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC1CCC([NH2+]C[C@H](C)SC)CC1 ZINC000159319179 388007474 /nfs/dbraw/zinc/00/74/74/388007474.db2.gz DKCYFHXLOWIBFL-HIFPTAJRSA-N 1 0 229.433 3.686 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2CCC2CCCC2)c1 ZINC000159332786 383999088 /nfs/dbraw/zinc/99/90/88/383999088.db2.gz LJPSQXCOWZTLCH-HNNXBMFYSA-N 1 0 232.371 3.732 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2CCC2CCCC2)c1 ZINC000159332943 383998544 /nfs/dbraw/zinc/99/85/44/383998544.db2.gz LJPSQXCOWZTLCH-OAHLLOKOSA-N 1 0 232.371 3.732 20 0 BHADRO CCCCCC[N@H+](CC)CCc1nccs1 ZINC000159335508 635218946 /nfs/dbraw/zinc/21/89/46/635218946.db2.gz LAENOHFFFVDXHC-UHFFFAOYSA-N 1 0 240.416 3.588 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccccn2)CCC1 ZINC000159359566 384013258 /nfs/dbraw/zinc/01/32/58/384013258.db2.gz VDNLOBAAAIRRQR-AWEZNQCLSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccccn2)CCC1 ZINC000159359696 322965615 /nfs/dbraw/zinc/96/56/15/322965615.db2.gz VDNLOBAAAIRRQR-CQSZACIVSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccn2)CCCC1 ZINC000159379033 384406232 /nfs/dbraw/zinc/40/62/32/384406232.db2.gz RDBQFJJKUNXNBW-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccn2)CCCC1 ZINC000159379156 168481976 /nfs/dbraw/zinc/48/19/76/168481976.db2.gz RDBQFJJKUNXNBW-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000159479851 134776964 /nfs/dbraw/zinc/77/69/64/134776964.db2.gz SNFHRUHBEABUQL-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000159479963 134776729 /nfs/dbraw/zinc/77/67/29/134776729.db2.gz SNFHRUHBEABUQL-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000159480079 134776767 /nfs/dbraw/zinc/77/67/67/134776767.db2.gz SNFHRUHBEABUQL-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000159480217 345436706 /nfs/dbraw/zinc/43/67/06/345436706.db2.gz SNFHRUHBEABUQL-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000159558133 345440953 /nfs/dbraw/zinc/44/09/53/345440953.db2.gz DORKRKKJHXMWGZ-INIZCTEOSA-N 1 0 244.382 3.569 20 0 BHADRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCCC1 ZINC000159558270 134778902 /nfs/dbraw/zinc/77/89/02/134778902.db2.gz DORKRKKJHXMWGZ-MRXNPFEDSA-N 1 0 244.382 3.569 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCCCC2)cn1 ZINC000159574343 345443991 /nfs/dbraw/zinc/44/39/91/345443991.db2.gz DLILNAGPXRBKRX-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCCCC2)cn1 ZINC000159574446 345443373 /nfs/dbraw/zinc/44/33/73/345443373.db2.gz DLILNAGPXRBKRX-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000159799072 388030957 /nfs/dbraw/zinc/03/09/57/388030957.db2.gz QGNHQTOQWRKICB-VHDGCEQUSA-N 1 0 247.382 3.541 20 0 BHADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000159799348 201688757 /nfs/dbraw/zinc/68/87/57/201688757.db2.gz QGNHQTOQWRKICB-BPLDGKMQSA-N 1 0 247.382 3.541 20 0 BHADRO FC(F)c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000159800929 323048896 /nfs/dbraw/zinc/04/88/96/323048896.db2.gz AUPFCDBYTBWILO-UHFFFAOYSA-N 1 0 237.249 3.507 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000159801130 201690760 /nfs/dbraw/zinc/69/07/60/201690760.db2.gz RNXWZEZVWVGRJH-MFKMUULPSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000159801277 388031284 /nfs/dbraw/zinc/03/12/84/388031284.db2.gz RNXWZEZVWVGRJH-GWCFXTLKSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000159801398 201689446 /nfs/dbraw/zinc/68/94/46/201689446.db2.gz RNXWZEZVWVGRJH-ZWNOBZJWSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000159801537 201689021 /nfs/dbraw/zinc/68/90/21/201689021.db2.gz RNXWZEZVWVGRJH-GXFFZTMASA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159805096 388031074 /nfs/dbraw/zinc/03/10/74/388031074.db2.gz VHKRTDAIZVWLOF-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159805234 388031331 /nfs/dbraw/zinc/03/13/31/388031331.db2.gz VHKRTDAIZVWLOF-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159805370 388031056 /nfs/dbraw/zinc/03/10/56/388031056.db2.gz VHKRTDAIZVWLOF-FVQBIDKESA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159805524 388032038 /nfs/dbraw/zinc/03/20/38/388032038.db2.gz VHKRTDAIZVWLOF-VNQPRFMTSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000159891094 388036470 /nfs/dbraw/zinc/03/64/70/388036470.db2.gz GOFLHJUYALKCCO-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000159891213 388037582 /nfs/dbraw/zinc/03/75/82/388037582.db2.gz GOFLHJUYALKCCO-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2)CCO1 ZINC000159896033 201695238 /nfs/dbraw/zinc/69/52/38/201695238.db2.gz BGGLNMWYDSRWAM-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)CCO1 ZINC000159896254 388037845 /nfs/dbraw/zinc/03/78/45/388037845.db2.gz BGGLNMWYDSRWAM-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000159909983 388037559 /nfs/dbraw/zinc/03/75/59/388037559.db2.gz GOFLHJUYALKCCO-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000159910118 201695163 /nfs/dbraw/zinc/69/51/63/201695163.db2.gz GOFLHJUYALKCCO-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(C)CCC2)c1 ZINC000159918567 323053929 /nfs/dbraw/zinc/05/39/29/323053929.db2.gz BSVKXYRELAKVSW-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC1([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000159919455 323053949 /nfs/dbraw/zinc/05/39/49/323053949.db2.gz OIKVNNREDFNTDO-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159920033 323053936 /nfs/dbraw/zinc/05/39/36/323053936.db2.gz HKNHLECVNGDXCN-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2(C)CCC2)c1 ZINC000159920785 323054036 /nfs/dbraw/zinc/05/40/36/323054036.db2.gz KPPWJANAKIYECT-UHFFFAOYSA-N 1 0 233.355 3.506 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159921389 388038563 /nfs/dbraw/zinc/03/85/63/388038563.db2.gz JPZOXDCABXHMMQ-UHFFFAOYSA-N 1 0 233.355 3.506 20 0 BHADRO CC1([NH2+]Cc2ccc3ccccc3c2)CCC1 ZINC000159923311 323054090 /nfs/dbraw/zinc/05/40/90/323054090.db2.gz XXWINJLHKPWXJT-UHFFFAOYSA-N 1 0 225.335 3.872 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000159923788 538880819 /nfs/dbraw/zinc/88/08/19/538880819.db2.gz HXNWVFOYANBSQH-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000159923913 538880764 /nfs/dbraw/zinc/88/07/64/538880764.db2.gz HXNWVFOYANBSQH-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CC1([NH2+]Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000159926731 323054121 /nfs/dbraw/zinc/05/41/21/323054121.db2.gz HFDZZUHUMBSZGQ-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159927578 388038997 /nfs/dbraw/zinc/03/89/97/388038997.db2.gz SEYRQNNXDYBFHC-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCCCOc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159927734 538880811 /nfs/dbraw/zinc/88/08/11/538880811.db2.gz ZAZBKZFYVRZBTM-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159927844 388038808 /nfs/dbraw/zinc/03/88/08/388038808.db2.gz SEYRQNNXDYBFHC-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000159929553 538880815 /nfs/dbraw/zinc/88/08/15/538880815.db2.gz HXNWVFOYANBSQH-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000159929696 538880807 /nfs/dbraw/zinc/88/08/07/538880807.db2.gz HXNWVFOYANBSQH-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159933126 179183371 /nfs/dbraw/zinc/18/33/71/179183371.db2.gz QDGIAKDLMKOAHZ-UKRRQHHQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159933284 179196663 /nfs/dbraw/zinc/19/66/63/179196663.db2.gz QDGIAKDLMKOAHZ-DZGCQCFKSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159933427 179181521 /nfs/dbraw/zinc/18/15/21/179181521.db2.gz QDGIAKDLMKOAHZ-HIFRSBDPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159933578 179197363 /nfs/dbraw/zinc/19/73/63/179197363.db2.gz QDGIAKDLMKOAHZ-ZFWWWQNUSA-N 1 0 247.382 3.603 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159950731 388039156 /nfs/dbraw/zinc/03/91/56/388039156.db2.gz LODUNTQJPRCIFU-CYBMUJFWSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159950878 385630557 /nfs/dbraw/zinc/63/05/57/385630557.db2.gz LODUNTQJPRCIFU-ZDUSSCGKSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159973276 388040567 /nfs/dbraw/zinc/04/05/67/388040567.db2.gz ZXXHZCIWXFFBHS-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159973398 388041073 /nfs/dbraw/zinc/04/10/73/388041073.db2.gz ZXXHZCIWXFFBHS-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159973527 388040448 /nfs/dbraw/zinc/04/04/48/388040448.db2.gz ZXXHZCIWXFFBHS-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159973680 201697301 /nfs/dbraw/zinc/69/73/01/201697301.db2.gz ZXXHZCIWXFFBHS-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159994297 538881100 /nfs/dbraw/zinc/88/11/00/538881100.db2.gz OEDSSNHQDRUEDS-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CC1([NH2+]Cc2csc3ccccc23)CCC1 ZINC000159994749 323057269 /nfs/dbraw/zinc/05/72/69/323057269.db2.gz VKVVKDAZWGJIFH-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO CC1([NH2+]Cc2ccccc2C2CC2)CCC1 ZINC000159995064 538111539 /nfs/dbraw/zinc/11/15/39/538111539.db2.gz ZEAGPZYCOPJPCL-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2(C)CCC2)cc1C ZINC000160003982 323057434 /nfs/dbraw/zinc/05/74/34/323057434.db2.gz AMXHVSJLMNGAIU-UHFFFAOYSA-N 1 0 217.356 3.644 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000160079745 411309179 /nfs/dbraw/zinc/30/91/79/411309179.db2.gz KBODXTVGCPDTNG-YNEHKIRRSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000160079992 411308580 /nfs/dbraw/zinc/30/85/80/411308580.db2.gz KBODXTVGCPDTNG-RWMBFGLXSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000160090952 201701384 /nfs/dbraw/zinc/70/13/84/201701384.db2.gz YLLMGBXNBYSXBI-NFAWXSAZSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)c1 ZINC000160126303 541356078 /nfs/dbraw/zinc/35/60/78/541356078.db2.gz MCYPPJVTIOEPIT-OLZOCXBDSA-N 1 0 229.323 4.000 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)c1 ZINC000160126421 541495608 /nfs/dbraw/zinc/49/56/08/541495608.db2.gz MCYPPJVTIOEPIT-CHWSQXEVSA-N 1 0 229.323 4.000 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160132510 323061166 /nfs/dbraw/zinc/06/11/66/323061166.db2.gz ZNILUMCZQBXARL-UONOGXRCSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160132660 323061158 /nfs/dbraw/zinc/06/11/58/323061158.db2.gz ZNILUMCZQBXARL-ZIAGYGMSSA-N 1 0 249.398 3.849 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000160142137 541355571 /nfs/dbraw/zinc/35/55/71/541355571.db2.gz FPSXXKVEZLHYDN-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000160142264 541495953 /nfs/dbraw/zinc/49/59/53/541495953.db2.gz FPSXXKVEZLHYDN-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000160144825 323061209 /nfs/dbraw/zinc/06/12/09/323061209.db2.gz BZPBIWGAKAMERC-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO Fc1ccc(C[NH2+]CCCC2CC2)cc1Cl ZINC000160151312 346442862 /nfs/dbraw/zinc/44/28/62/346442862.db2.gz JVISUXZZQSIIRO-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)CCO1 ZINC000160154753 323061441 /nfs/dbraw/zinc/06/14/41/323061441.db2.gz VJAZFGZXIKDPQD-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)CCO1 ZINC000160155014 323061457 /nfs/dbraw/zinc/06/14/57/323061457.db2.gz VJAZFGZXIKDPQD-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000160162391 388049273 /nfs/dbraw/zinc/04/92/73/388049273.db2.gz YXSWIWLAGUQDLH-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO Fc1ccc(C[NH2+]CCC2CCC2)cc1Cl ZINC000160164958 711805986 /nfs/dbraw/zinc/80/59/86/711805986.db2.gz RXZJFBGVNJPWRD-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccoc2)c1 ZINC000160172097 541356013 /nfs/dbraw/zinc/35/60/13/541356013.db2.gz MCYPPJVTIOEPIT-STQMWFEESA-N 1 0 229.323 4.000 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccoc2)c1 ZINC000160172229 538883256 /nfs/dbraw/zinc/88/32/56/538883256.db2.gz MCYPPJVTIOEPIT-QWHCGFSZSA-N 1 0 229.323 4.000 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1C1CC1)C1CCC1 ZINC000160172441 538883251 /nfs/dbraw/zinc/88/32/51/538883251.db2.gz OOTWMSDGDKWVDV-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1C1CC1)C1CCC1 ZINC000160172582 538883300 /nfs/dbraw/zinc/88/33/00/538883300.db2.gz OOTWMSDGDKWVDV-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1CCC1 ZINC000160173032 538883253 /nfs/dbraw/zinc/88/32/53/538883253.db2.gz LLFRJKZHPMMKNZ-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1CCC1 ZINC000160173167 538883265 /nfs/dbraw/zinc/88/32/65/538883265.db2.gz LLFRJKZHPMMKNZ-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2CCC2)c1C ZINC000160176796 538883234 /nfs/dbraw/zinc/88/32/34/538883234.db2.gz CBEYLDAQCUQGFT-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2CCC2)c1C ZINC000160176877 538883232 /nfs/dbraw/zinc/88/32/32/538883232.db2.gz CBEYLDAQCUQGFT-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160178214 323062872 /nfs/dbraw/zinc/06/28/72/323062872.db2.gz ZNILUMCZQBXARL-KBPBESRZSA-N 1 0 249.398 3.849 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160178341 323062908 /nfs/dbraw/zinc/06/29/08/323062908.db2.gz ZNILUMCZQBXARL-KGLIPLIRSA-N 1 0 249.398 3.849 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000160178705 538883392 /nfs/dbraw/zinc/88/33/92/538883392.db2.gz WXYMPYGBHGXQTN-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000160178845 538883373 /nfs/dbraw/zinc/88/33/73/538883373.db2.gz WXYMPYGBHGXQTN-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000160178982 538883406 /nfs/dbraw/zinc/88/34/06/538883406.db2.gz GLSWTIODLSZGSL-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)C2CCC2)c1 ZINC000160179112 538883381 /nfs/dbraw/zinc/88/33/81/538883381.db2.gz GLSWTIODLSZGSL-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CCC1 ZINC000160179242 538883376 /nfs/dbraw/zinc/88/33/76/538883376.db2.gz PMEGMFRHUWBBJQ-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CCC1 ZINC000160179385 538883365 /nfs/dbraw/zinc/88/33/65/538883365.db2.gz PMEGMFRHUWBBJQ-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1C ZINC000160181747 538883587 /nfs/dbraw/zinc/88/35/87/538883587.db2.gz AKBGDYYXARWNGW-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCC2)cc1C ZINC000160181864 538883711 /nfs/dbraw/zinc/88/37/11/538883711.db2.gz AKBGDYYXARWNGW-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO CC1(C)CC[C@H](C[NH2+]C2CCCCCCC2)O1 ZINC000160187054 711806010 /nfs/dbraw/zinc/80/60/10/711806010.db2.gz VCTBRSLIWTZZHO-CQSZACIVSA-N 1 0 239.403 3.647 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+]C2CCCCCCC2)O1 ZINC000160187174 711806019 /nfs/dbraw/zinc/80/60/19/711806019.db2.gz VCTBRSLIWTZZHO-AWEZNQCLSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160189540 488113905 /nfs/dbraw/zinc/11/39/05/488113905.db2.gz BZPBIWGAKAMERC-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CCO1 ZINC000160199405 323063233 /nfs/dbraw/zinc/06/32/33/323063233.db2.gz VJAZFGZXIKDPQD-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)CCO1 ZINC000160199666 346444145 /nfs/dbraw/zinc/44/41/45/346444145.db2.gz VJAZFGZXIKDPQD-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC1(C)CC[C@H](C[NH2+]CCC2CCCCC2)O1 ZINC000160221670 388055337 /nfs/dbraw/zinc/05/53/37/388055337.db2.gz WWTHIQSSUZGHNC-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+]CCC2CCCCC2)O1 ZINC000160221788 388054586 /nfs/dbraw/zinc/05/45/86/388054586.db2.gz WWTHIQSSUZGHNC-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160238213 384395943 /nfs/dbraw/zinc/39/59/43/384395943.db2.gz YUKCQRXUQQBNPS-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160238457 201709276 /nfs/dbraw/zinc/70/92/76/201709276.db2.gz YUKCQRXUQQBNPS-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000160238998 388054916 /nfs/dbraw/zinc/05/49/16/388054916.db2.gz AMYSWRULUCKCNZ-RUXDESIVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000160239134 388054702 /nfs/dbraw/zinc/05/47/02/388054702.db2.gz AMYSWRULUCKCNZ-JXQTWKCFSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000160239421 541355611 /nfs/dbraw/zinc/35/56/11/541355611.db2.gz NVVFTNZUDIBLEK-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000160239553 538884212 /nfs/dbraw/zinc/88/42/12/538884212.db2.gz NVVFTNZUDIBLEK-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160248818 201707388 /nfs/dbraw/zinc/70/73/88/201707388.db2.gz DGIIIUXMVWRWEZ-KGLIPLIRSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160248949 201707738 /nfs/dbraw/zinc/70/77/38/201707738.db2.gz DGIIIUXMVWRWEZ-KBPBESRZSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160249101 201707483 /nfs/dbraw/zinc/70/74/83/201707483.db2.gz DGIIIUXMVWRWEZ-ZIAGYGMSSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160249204 388055677 /nfs/dbraw/zinc/05/56/77/388055677.db2.gz DGIIIUXMVWRWEZ-UONOGXRCSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000160253702 388054792 /nfs/dbraw/zinc/05/47/92/388054792.db2.gz LTGQBEAOHLHNLJ-HIFRSBDPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000160253824 388055495 /nfs/dbraw/zinc/05/54/95/388055495.db2.gz LTGQBEAOHLHNLJ-ZFWWWQNUSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000160253949 388054315 /nfs/dbraw/zinc/05/43/15/388054315.db2.gz LTGQBEAOHLHNLJ-UKRRQHHQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000160254066 388055571 /nfs/dbraw/zinc/05/55/71/388055571.db2.gz LTGQBEAOHLHNLJ-DZGCQCFKSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000160263893 538883789 /nfs/dbraw/zinc/88/37/89/538883789.db2.gz NVVFTNZUDIBLEK-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000160264034 541355916 /nfs/dbraw/zinc/35/59/16/541355916.db2.gz NVVFTNZUDIBLEK-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000160270000 136214563 /nfs/dbraw/zinc/21/45/63/136214563.db2.gz TYCFZODZOVLPTN-GJZGRUSLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000160270100 384681684 /nfs/dbraw/zinc/68/16/84/384681684.db2.gz TYCFZODZOVLPTN-LSDHHAIUSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000160270223 384681370 /nfs/dbraw/zinc/68/13/70/384681370.db2.gz TYCFZODZOVLPTN-CABCVRRESA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000160270344 345849160 /nfs/dbraw/zinc/84/91/60/345849160.db2.gz TYCFZODZOVLPTN-HUUCEWRRSA-N 1 0 247.382 3.685 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000160274100 388057345 /nfs/dbraw/zinc/05/73/45/388057345.db2.gz ZZHVYPUAZXMMRW-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000160274238 388057069 /nfs/dbraw/zinc/05/70/69/388057069.db2.gz ZZHVYPUAZXMMRW-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000160274369 384399310 /nfs/dbraw/zinc/39/93/10/384399310.db2.gz ZZHVYPUAZXMMRW-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000160274504 388057018 /nfs/dbraw/zinc/05/70/18/388057018.db2.gz ZZHVYPUAZXMMRW-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+]C2CCC(C)(C)CC2)O1 ZINC000160293987 535321717 /nfs/dbraw/zinc/32/17/17/535321717.db2.gz FTBSGNPIJIKOCV-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@H](C[NH2+]C2CCC(C)(C)CC2)O1 ZINC000160294111 384653049 /nfs/dbraw/zinc/65/30/49/384653049.db2.gz FTBSGNPIJIKOCV-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000160298113 386287874 /nfs/dbraw/zinc/28/78/74/386287874.db2.gz BFDDHCWNNBNNGY-BPUTZDHNSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000160298227 388056514 /nfs/dbraw/zinc/05/65/14/388056514.db2.gz XORXZASOWNAFLV-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000160298238 388056703 /nfs/dbraw/zinc/05/67/03/388056703.db2.gz BFDDHCWNNBNNGY-IMJJTQAJSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000160298357 201710562 /nfs/dbraw/zinc/71/05/62/201710562.db2.gz BFDDHCWNNBNNGY-CWRNSKLLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000160298495 388056864 /nfs/dbraw/zinc/05/68/64/388056864.db2.gz BFDDHCWNNBNNGY-NUEKZKHPSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000160298497 388056157 /nfs/dbraw/zinc/05/61/57/388056157.db2.gz XORXZASOWNAFLV-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000160298650 201709547 /nfs/dbraw/zinc/70/95/47/201709547.db2.gz FLFJXSSIWDWWTF-DZKIICNBSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000160298760 201709472 /nfs/dbraw/zinc/70/94/72/201709472.db2.gz FLFJXSSIWDWWTF-LZWOXQAQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000160298884 388057337 /nfs/dbraw/zinc/05/73/37/388057337.db2.gz FLFJXSSIWDWWTF-OFQRWUPVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000160299003 388056102 /nfs/dbraw/zinc/05/61/02/388056102.db2.gz FLFJXSSIWDWWTF-SQWLQELKSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000160300168 386290665 /nfs/dbraw/zinc/29/06/65/386290665.db2.gz QRUOXQPRXZOQTP-BPUTZDHNSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000160300288 201710498 /nfs/dbraw/zinc/71/04/98/201710498.db2.gz QRUOXQPRXZOQTP-IMJJTQAJSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000160300407 201711159 /nfs/dbraw/zinc/71/11/59/201711159.db2.gz QRUOXQPRXZOQTP-CWRNSKLLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000160300531 388057442 /nfs/dbraw/zinc/05/74/42/388057442.db2.gz QRUOXQPRXZOQTP-NUEKZKHPSA-N 1 0 246.398 3.947 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)O1 ZINC000160315921 388058472 /nfs/dbraw/zinc/05/84/72/388058472.db2.gz YBELUENJVLNNLM-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)O1 ZINC000160316047 201710491 /nfs/dbraw/zinc/71/04/91/201710491.db2.gz YBELUENJVLNNLM-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@H](C[NH2+][C@H]2CCCCC2(C)C)O1 ZINC000160316178 388058537 /nfs/dbraw/zinc/05/85/37/388058537.db2.gz YBELUENJVLNNLM-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCCC2(C)C)O1 ZINC000160316303 201710833 /nfs/dbraw/zinc/71/08/33/201710833.db2.gz YBELUENJVLNNLM-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160323848 323064844 /nfs/dbraw/zinc/06/48/44/323064844.db2.gz FQUQTCZLXNGHHW-HIFRSBDPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160323952 323064795 /nfs/dbraw/zinc/06/47/95/323064795.db2.gz FQUQTCZLXNGHHW-UKRRQHHQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160324053 323064849 /nfs/dbraw/zinc/06/48/49/323064849.db2.gz FQUQTCZLXNGHHW-ZFWWWQNUSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160324156 323064781 /nfs/dbraw/zinc/06/47/81/323064781.db2.gz FQUQTCZLXNGHHW-DZGCQCFKSA-N 1 0 247.382 3.603 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)O1 ZINC000160328939 388058744 /nfs/dbraw/zinc/05/87/44/388058744.db2.gz ZHUAJXOAZMLFHV-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)O1 ZINC000160329076 201710885 /nfs/dbraw/zinc/71/08/85/201710885.db2.gz ZHUAJXOAZMLFHV-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)O1 ZINC000160329222 201709802 /nfs/dbraw/zinc/70/98/02/201709802.db2.gz ZHUAJXOAZMLFHV-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)O1 ZINC000160329351 201710893 /nfs/dbraw/zinc/71/08/93/201710893.db2.gz ZHUAJXOAZMLFHV-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccccn1 ZINC000160378250 179037728 /nfs/dbraw/zinc/03/77/28/179037728.db2.gz HAQVGSAPSQAEPG-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccccn1 ZINC000160378357 179038913 /nfs/dbraw/zinc/03/89/13/179038913.db2.gz HAQVGSAPSQAEPG-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccco1 ZINC000160379167 711807942 /nfs/dbraw/zinc/80/79/42/711807942.db2.gz HODYVKLXXYKSDR-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccco1 ZINC000160379253 711487842 /nfs/dbraw/zinc/48/78/42/711487842.db2.gz HODYVKLXXYKSDR-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160495171 342753116 /nfs/dbraw/zinc/75/31/16/342753116.db2.gz IUTDGOJIEZTGAA-GFCCVEGCSA-N 1 0 235.396 3.699 20 0 BHADRO CC[C@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160495291 388070850 /nfs/dbraw/zinc/07/08/50/388070850.db2.gz IUTDGOJIEZTGAA-LBPRGKRZSA-N 1 0 235.396 3.699 20 0 BHADRO CC1CCC(C[NH2+]CC2CCSCC2)CC1 ZINC000160704572 349316588 /nfs/dbraw/zinc/31/65/88/349316588.db2.gz HPAZDLXZCPJZJW-UHFFFAOYSA-N 1 0 241.444 3.546 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]Cc1ccoc1 ZINC000160790275 388090587 /nfs/dbraw/zinc/09/05/87/388090587.db2.gz CVKXVGKONSFLCY-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C[C@@H](C)C1CC1 ZINC000160790656 538912860 /nfs/dbraw/zinc/91/28/60/538912860.db2.gz RPEZYYDSYXMNMW-LLVKDONJSA-N 1 0 243.350 3.877 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C[C@H](C)C1CC1 ZINC000160790782 538912945 /nfs/dbraw/zinc/91/29/45/538912945.db2.gz RPEZYYDSYXMNMW-NSHDSACASA-N 1 0 243.350 3.877 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1CC(C)C1 ZINC000160798742 349325385 /nfs/dbraw/zinc/32/53/85/349325385.db2.gz YMTCANAGEFMGPL-UHFFFAOYSA-N 1 0 229.323 3.629 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1ccccn1 ZINC000160819460 384436680 /nfs/dbraw/zinc/43/66/80/384436680.db2.gz HXTNVZVTCSFKBZ-NWANDNLSSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1ccccn1 ZINC000160819581 384438445 /nfs/dbraw/zinc/43/84/45/384438445.db2.gz HXTNVZVTCSFKBZ-CFVMTHIKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000160825001 177183637 /nfs/dbraw/zinc/18/36/37/177183637.db2.gz QLVIECPFGNIXGD-QVHKTLOISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccn1 ZINC000160830442 346466001 /nfs/dbraw/zinc/46/60/01/346466001.db2.gz AXWPMRNQFWLXRB-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000160830614 170970680 /nfs/dbraw/zinc/97/06/80/170970680.db2.gz AXWPMRNQFWLXRB-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccccn1 ZINC000160832211 176144930 /nfs/dbraw/zinc/14/49/30/176144930.db2.gz DPIUGGFGFRRQEU-MCIONIFRSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccccn1 ZINC000160832468 176124287 /nfs/dbraw/zinc/12/42/87/176124287.db2.gz DPIUGGFGFRRQEU-MGPQQGTHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000160838964 177066044 /nfs/dbraw/zinc/06/60/44/177066044.db2.gz BNCDZYFSIJNFKN-JHJVBQTASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccccn1 ZINC000160839334 133510270 /nfs/dbraw/zinc/51/02/70/133510270.db2.gz FTQJVXPIJOMHRO-SYQHCUMBSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000160840428 346466699 /nfs/dbraw/zinc/46/66/99/346466699.db2.gz DYCQRZJEPJLUPN-MCIONIFRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000160840621 346466731 /nfs/dbraw/zinc/46/67/31/346466731.db2.gz DYCQRZJEPJLUPN-MGPQQGTHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000160840901 176139845 /nfs/dbraw/zinc/13/98/45/176139845.db2.gz ONDLZYKCBAARBQ-MCIONIFRSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000160841155 176119447 /nfs/dbraw/zinc/11/94/47/176119447.db2.gz ONDLZYKCBAARBQ-MGPQQGTHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)c1ccccn1 ZINC000160842281 388093790 /nfs/dbraw/zinc/09/37/90/388093790.db2.gz XXRQPBHOMCKFIU-BFHYXJOUSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000160842487 388093456 /nfs/dbraw/zinc/09/34/56/388093456.db2.gz XXRQPBHOMCKFIU-MJBXVCDLSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000160845629 349329727 /nfs/dbraw/zinc/32/97/27/349329727.db2.gz CSJRZYHNNIAEPH-MCIONIFRSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000160845894 349330192 /nfs/dbraw/zinc/33/01/92/349330192.db2.gz CSJRZYHNNIAEPH-MGPQQGTHSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cccnc1 ZINC000160890961 177183940 /nfs/dbraw/zinc/18/39/40/177183940.db2.gz SYRDKSUNOVIJPB-QVHKTLOISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccnc1 ZINC000160895626 346468606 /nfs/dbraw/zinc/46/86/06/346468606.db2.gz YQEBCAFURBHFET-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccnc1 ZINC000160895873 346468519 /nfs/dbraw/zinc/46/85/19/346468519.db2.gz YQEBCAFURBHFET-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cccnc1 ZINC000160897420 176145278 /nfs/dbraw/zinc/14/52/78/176145278.db2.gz CDYRGJYSARXMAB-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cccnc1 ZINC000160897650 176124626 /nfs/dbraw/zinc/12/46/26/176124626.db2.gz CDYRGJYSARXMAB-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000160903897 349337195 /nfs/dbraw/zinc/33/71/95/349337195.db2.gz GWBLFRCKNBDANH-JHJVBQTASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cccnc1 ZINC000160904161 176234126 /nfs/dbraw/zinc/23/41/26/176234126.db2.gz QVDNDFHSXYUUST-BHPKHCPMSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000160905252 346468485 /nfs/dbraw/zinc/46/84/85/346468485.db2.gz UWRIIORKXVCSQO-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000160905479 346468767 /nfs/dbraw/zinc/46/87/67/346468767.db2.gz UWRIIORKXVCSQO-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000160905767 176139941 /nfs/dbraw/zinc/13/99/41/176139941.db2.gz GQNRLJMJKDFBET-MCIONIFRSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000160906076 176119389 /nfs/dbraw/zinc/11/93/89/176119389.db2.gz GQNRLJMJKDFBET-MGPQQGTHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)c1cccnc1 ZINC000160907054 201746141 /nfs/dbraw/zinc/74/61/41/201746141.db2.gz DQLWQTRGHGHGAM-GZBFAFLISA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000160907308 383856256 /nfs/dbraw/zinc/85/62/56/383856256.db2.gz DQLWQTRGHGHGAM-GUTXKFCHSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000160909819 349337535 /nfs/dbraw/zinc/33/75/35/349337535.db2.gz HFBZBGMAECDJAK-NFAWXSAZSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000160910056 349337787 /nfs/dbraw/zinc/33/77/87/349337787.db2.gz HFBZBGMAECDJAK-UMVBOHGHSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cc(NCCc2ccc(Cl)cc2)cc[nH+]1 ZINC000160912367 178163498 /nfs/dbraw/zinc/16/34/98/178163498.db2.gz DMEQVEVIDZQPND-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160930671 642509739 /nfs/dbraw/zinc/50/97/39/642509739.db2.gz JRLDGGVUGJFUHI-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160930798 642509749 /nfs/dbraw/zinc/50/97/49/642509749.db2.gz JRLDGGVUGJFUHI-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccncc1 ZINC000160966105 397773040 /nfs/dbraw/zinc/77/30/40/397773040.db2.gz ZXWCIHHXEXIMND-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000160966330 170970869 /nfs/dbraw/zinc/97/08/69/170970869.db2.gz ZXWCIHHXEXIMND-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccncc1 ZINC000160968522 176145217 /nfs/dbraw/zinc/14/52/17/176145217.db2.gz DSGJMPBPWNCERX-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccncc1 ZINC000160968784 176124385 /nfs/dbraw/zinc/12/43/85/176124385.db2.gz DSGJMPBPWNCERX-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000160975387 177066373 /nfs/dbraw/zinc/06/63/73/177066373.db2.gz ZOKJQHWQLMJRSB-JHJVBQTASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccncc1 ZINC000160975766 176234547 /nfs/dbraw/zinc/23/45/47/176234547.db2.gz LBSLVDFTLPMBJT-BHPKHCPMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000160977418 176139367 /nfs/dbraw/zinc/13/93/67/176139367.db2.gz HJWRBSYGXZMVKX-MCIONIFRSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000160977653 176119832 /nfs/dbraw/zinc/11/98/32/176119832.db2.gz HJWRBSYGXZMVKX-MGPQQGTHSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000161014065 566325862 /nfs/dbraw/zinc/32/58/62/566325862.db2.gz SUBNQCXXISIBDJ-NXEZZACHSA-N 1 0 249.741 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000161014156 538913772 /nfs/dbraw/zinc/91/37/72/538913772.db2.gz SUBNQCXXISIBDJ-VHSXEESVSA-N 1 0 249.741 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000161014283 566326122 /nfs/dbraw/zinc/32/61/22/566326122.db2.gz SUBNQCXXISIBDJ-ZJUUUORDSA-N 1 0 249.741 3.832 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000161014438 538913770 /nfs/dbraw/zinc/91/37/70/538913770.db2.gz SUBNQCXXISIBDJ-UWVGGRQHSA-N 1 0 249.741 3.832 20 0 BHADRO CC1CC([NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000161022891 384481873 /nfs/dbraw/zinc/48/18/73/384481873.db2.gz AJYBOCMYOZQPGP-UHFFFAOYSA-N 1 0 249.741 3.974 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+]C1CC=CC1 ZINC000161024559 538913854 /nfs/dbraw/zinc/91/38/54/538913854.db2.gz SELPHGNLCXOOIK-UHFFFAOYSA-N 1 0 247.725 3.894 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cc2ccccc2s1 ZINC000161082329 176837919 /nfs/dbraw/zinc/83/79/19/176837919.db2.gz KOQYOGGVWIFZQT-JTQLQIEISA-N 1 0 231.364 3.962 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cc2ccccc2s1 ZINC000161082443 384636251 /nfs/dbraw/zinc/63/62/51/384636251.db2.gz KOQYOGGVWIFZQT-SNVBAGLBSA-N 1 0 231.364 3.962 20 0 BHADRO Clc1ccc(C[NH2+]C2CCC2)c2ncccc12 ZINC000161097731 385740248 /nfs/dbraw/zinc/74/02/48/385740248.db2.gz HTZGIUHBTGVYRP-UHFFFAOYSA-N 1 0 246.741 3.530 20 0 BHADRO CC[C@H]([NH2+]Cc1ncccc1C)C1CCCCC1 ZINC000161101792 538914096 /nfs/dbraw/zinc/91/40/96/538914096.db2.gz RNZNUWWRAMGPKG-HNNXBMFYSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncccc1C)C1CCCCC1 ZINC000161101895 541356724 /nfs/dbraw/zinc/35/67/24/541356724.db2.gz RNZNUWWRAMGPKG-OAHLLOKOSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1cscn1 ZINC000161125633 384467592 /nfs/dbraw/zinc/46/75/92/384467592.db2.gz GHZVVCZRTQYFRZ-NSHDSACASA-N 1 0 236.384 3.684 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1cscn1 ZINC000161125772 384466420 /nfs/dbraw/zinc/46/64/20/384466420.db2.gz GHZVVCZRTQYFRZ-LLVKDONJSA-N 1 0 236.384 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1cscn1 ZINC000161128110 323148770 /nfs/dbraw/zinc/14/87/70/323148770.db2.gz TYELTMAGURDBRS-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1cscn1 ZINC000161128229 323148695 /nfs/dbraw/zinc/14/86/95/323148695.db2.gz TYELTMAGURDBRS-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1cscn1 ZINC000161130555 711810699 /nfs/dbraw/zinc/81/06/99/711810699.db2.gz SUAJWOHHEHGYRT-NSHDSACASA-N 1 0 238.400 3.907 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1cscn1 ZINC000161130684 711810581 /nfs/dbraw/zinc/81/05/81/711810581.db2.gz SUAJWOHHEHGYRT-LLVKDONJSA-N 1 0 238.400 3.907 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1cscn1 ZINC000161148493 538914499 /nfs/dbraw/zinc/91/44/99/538914499.db2.gz SGDCBMVQCIHFCJ-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1cscn1 ZINC000161148612 538914596 /nfs/dbraw/zinc/91/45/96/538914596.db2.gz SGDCBMVQCIHFCJ-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000161151204 323149231 /nfs/dbraw/zinc/14/92/31/323149231.db2.gz AJOQVPZGYTWYJM-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000161151421 323149134 /nfs/dbraw/zinc/14/91/34/323149134.db2.gz AJOQVPZGYTWYJM-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2cscn2)CC1 ZINC000161157895 323149441 /nfs/dbraw/zinc/14/94/41/323149441.db2.gz DUYGFIBNWYXDLI-UNXYVOJBSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2cscn2)CC1 ZINC000161158015 323149542 /nfs/dbraw/zinc/14/95/42/323149542.db2.gz DUYGFIBNWYXDLI-VOMCLLRMSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1cscn1 ZINC000161165654 323149549 /nfs/dbraw/zinc/14/95/49/323149549.db2.gz BOFJCVBWYQDDOE-CXQJBGSLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1cscn1 ZINC000161165769 323149679 /nfs/dbraw/zinc/14/96/79/323149679.db2.gz BOFJCVBWYQDDOE-MOENNCHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000161170155 323149721 /nfs/dbraw/zinc/14/97/21/323149721.db2.gz ARLNOYLRYWAOIC-WCABBAIRSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000161170288 323149713 /nfs/dbraw/zinc/14/97/13/323149713.db2.gz ARLNOYLRYWAOIC-ATZCPNFKSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000161170389 323149708 /nfs/dbraw/zinc/14/97/08/323149708.db2.gz ARLNOYLRYWAOIC-YWVKMMECSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000161170483 323149604 /nfs/dbraw/zinc/14/96/04/323149604.db2.gz ARLNOYLRYWAOIC-QXEWZRGKSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cscn1 ZINC000161172288 323149959 /nfs/dbraw/zinc/14/99/59/323149959.db2.gz VUQVMZLUSGFUMH-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161172413 323149984 /nfs/dbraw/zinc/14/99/84/323149984.db2.gz VUQVMZLUSGFUMH-SDDRHHMPSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1cscn1 ZINC000161172529 323149972 /nfs/dbraw/zinc/14/99/72/323149972.db2.gz VUQVMZLUSGFUMH-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161172652 323150032 /nfs/dbraw/zinc/15/00/32/323150032.db2.gz VUQVMZLUSGFUMH-SRVKXCTJSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cscn1 ZINC000161197583 323319329 /nfs/dbraw/zinc/31/93/29/323319329.db2.gz SVNIBQJGFZOWQI-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000161207637 343204740 /nfs/dbraw/zinc/20/47/40/343204740.db2.gz LFVWXHCBHDKRTO-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000161208996 323467266 /nfs/dbraw/zinc/46/72/66/323467266.db2.gz IMYVYHYGPKUWKX-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000161209221 387149751 /nfs/dbraw/zinc/14/97/51/387149751.db2.gz IMYVYHYGPKUWKX-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cscn1 ZINC000161209951 323467252 /nfs/dbraw/zinc/46/72/52/323467252.db2.gz ZHWFYNRPRUVMDI-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cscn1 ZINC000161210077 323467376 /nfs/dbraw/zinc/46/73/76/323467376.db2.gz ZHWFYNRPRUVMDI-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cscn1)C1CCCCC1 ZINC000161210197 387151871 /nfs/dbraw/zinc/15/18/71/387151871.db2.gz ZHWFYNRPRUVMDI-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cscn1 ZINC000161210316 323075890 /nfs/dbraw/zinc/07/58/90/323075890.db2.gz ZHWFYNRPRUVMDI-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1cscn1 ZINC000161210455 387152379 /nfs/dbraw/zinc/15/23/79/387152379.db2.gz XFVRLUDBCRNLIZ-JTQLQIEISA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1cscn1 ZINC000161210583 387151912 /nfs/dbraw/zinc/15/19/12/387151912.db2.gz XFVRLUDBCRNLIZ-SNVBAGLBSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@H]1C)c1cscn1 ZINC000161213992 538914901 /nfs/dbraw/zinc/91/49/01/538914901.db2.gz GJHZMEUYQSMDOI-WOPDTQHZSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)c1cscn1 ZINC000161214108 538915006 /nfs/dbraw/zinc/91/50/06/538915006.db2.gz GJHZMEUYQSMDOI-SRVKXCTJSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)c1cscn1 ZINC000161214231 538915033 /nfs/dbraw/zinc/91/50/33/538915033.db2.gz GJHZMEUYQSMDOI-GRYCIOLGSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)c1cscn1 ZINC000161214353 538914917 /nfs/dbraw/zinc/91/49/17/538914917.db2.gz GJHZMEUYQSMDOI-SDDRHHMPSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1cscn1 ZINC000161224425 323469708 /nfs/dbraw/zinc/46/97/08/323469708.db2.gz SVBGKBMBHRJFDQ-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1cscn1 ZINC000161224547 323469893 /nfs/dbraw/zinc/46/98/93/323469893.db2.gz SVBGKBMBHRJFDQ-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1cscn1 ZINC000161224685 387156593 /nfs/dbraw/zinc/15/65/93/387156593.db2.gz SVBGKBMBHRJFDQ-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1cscn1 ZINC000161224799 387155896 /nfs/dbraw/zinc/15/58/96/387155896.db2.gz SVBGKBMBHRJFDQ-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc(Cl)c(F)c1 ZINC000161225955 538914779 /nfs/dbraw/zinc/91/47/79/538914779.db2.gz AEHMNTHEUNQIAO-VIFPVBQESA-N 1 0 239.721 3.848 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(Cl)c(F)c1 ZINC000161226077 538914870 /nfs/dbraw/zinc/91/48/70/538914870.db2.gz AEHMNTHEUNQIAO-SECBINFHSA-N 1 0 239.721 3.848 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000161241581 349414762 /nfs/dbraw/zinc/41/47/62/349414762.db2.gz YRFSCXZPYJCRLS-OCCSQVGLSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000161241707 177133341 /nfs/dbraw/zinc/13/33/41/177133341.db2.gz YRFSCXZPYJCRLS-JSGCOSHPSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000161241831 349414983 /nfs/dbraw/zinc/41/49/83/349414983.db2.gz YRFSCXZPYJCRLS-TZMCWYRMSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000161241941 349414990 /nfs/dbraw/zinc/41/49/90/349414990.db2.gz YRFSCXZPYJCRLS-GXTWGEPZSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000161246877 711810913 /nfs/dbraw/zinc/81/09/13/711810913.db2.gz DWSKEGUPALQAHB-UHFFFAOYSA-N 1 0 245.338 3.747 20 0 BHADRO CC1(C)CC([NH2+]Cc2cccnc2)CC(C)(C)C1 ZINC000161286283 411293270 /nfs/dbraw/zinc/29/32/70/411293270.db2.gz FXSTWCAZBQQORX-UHFFFAOYSA-N 1 0 246.398 3.776 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccncc2)CC(C)(C)C1 ZINC000161286408 411293183 /nfs/dbraw/zinc/29/31/83/411293183.db2.gz ZDSRZRIKIZKEMF-UHFFFAOYSA-N 1 0 246.398 3.776 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccccn2)CC(C)(C)C1 ZINC000161286542 411293300 /nfs/dbraw/zinc/29/33/00/411293300.db2.gz NMZBZAZFDROOEJ-UHFFFAOYSA-N 1 0 246.398 3.776 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(C)nc1 ZINC000161287818 538915352 /nfs/dbraw/zinc/91/53/52/538915352.db2.gz IXKGWAQBGVIUHJ-OAHLLOKOSA-N 1 0 234.387 3.839 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccc(C)nc1 ZINC000161287920 538915240 /nfs/dbraw/zinc/91/52/40/538915240.db2.gz IXKGWAQBGVIUHJ-HNNXBMFYSA-N 1 0 234.387 3.839 20 0 BHADRO CC[C@H]([NH2+]C1CCCCC1)c1ccc(F)cn1 ZINC000161303087 384965614 /nfs/dbraw/zinc/96/56/14/384965614.db2.gz JLLMUCVKMAVHHD-ZDUSSCGKSA-N 1 0 236.334 3.594 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cn1 ZINC000161303208 384967157 /nfs/dbraw/zinc/96/71/57/384967157.db2.gz JLLMUCVKMAVHHD-CYBMUJFWSA-N 1 0 236.334 3.594 20 0 BHADRO CCCCCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000161311617 711811292 /nfs/dbraw/zinc/81/12/92/711811292.db2.gz QEOZMVFDNXHFEX-ZDUSSCGKSA-N 1 0 238.350 3.842 20 0 BHADRO CCCCCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000161311770 711811474 /nfs/dbraw/zinc/81/14/74/711811474.db2.gz QEOZMVFDNXHFEX-CYBMUJFWSA-N 1 0 238.350 3.842 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000161321236 384970561 /nfs/dbraw/zinc/97/05/61/384970561.db2.gz UFELIZLSEITHFF-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Fc1cc(F)cc(C[NH2+]CC2CCCCC2)c1 ZINC000161322326 384970661 /nfs/dbraw/zinc/97/06/61/384970661.db2.gz VRJGFPFEBJLYBP-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000161323270 384968972 /nfs/dbraw/zinc/96/89/72/384968972.db2.gz KAIYULSYCDCORH-YGRLFVJLSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000161323392 200710845 /nfs/dbraw/zinc/71/08/45/200710845.db2.gz KAIYULSYCDCORH-HZMBPMFUSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000161323526 384967920 /nfs/dbraw/zinc/96/79/20/384967920.db2.gz KAIYULSYCDCORH-QMTHXVAHSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000161323651 384970784 /nfs/dbraw/zinc/97/07/84/384970784.db2.gz KAIYULSYCDCORH-IINYFYTJSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)C)c1ccc(F)cn1 ZINC000161324012 384970977 /nfs/dbraw/zinc/97/09/77/384970977.db2.gz ABEXOBDPTZRDJH-ZDUSSCGKSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)C)c1ccc(F)cn1 ZINC000161324096 384969069 /nfs/dbraw/zinc/96/90/69/384969069.db2.gz ABEXOBDPTZRDJH-CYBMUJFWSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161330277 384970885 /nfs/dbraw/zinc/97/08/85/384970885.db2.gz YQTWQUQFGFLKGC-JSGCOSHPSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161330413 384967890 /nfs/dbraw/zinc/96/78/90/384967890.db2.gz YQTWQUQFGFLKGC-GXTWGEPZSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161330532 384969156 /nfs/dbraw/zinc/96/91/56/384969156.db2.gz YQTWQUQFGFLKGC-OCCSQVGLSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161330652 200711474 /nfs/dbraw/zinc/71/14/74/200711474.db2.gz YQTWQUQFGFLKGC-TZMCWYRMSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(F)cn1 ZINC000161341334 384976970 /nfs/dbraw/zinc/97/69/70/384976970.db2.gz FFTBYBBKTQEXIL-YPMHNXCESA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(F)cn1 ZINC000161341449 384978253 /nfs/dbraw/zinc/97/82/53/384978253.db2.gz FFTBYBBKTQEXIL-DGCLKSJQSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccc(F)cn1 ZINC000161341521 384978236 /nfs/dbraw/zinc/97/82/36/384978236.db2.gz FFTBYBBKTQEXIL-AAEUAGOBSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccc(F)cn1 ZINC000161341619 384978933 /nfs/dbraw/zinc/97/89/33/384978933.db2.gz FFTBYBBKTQEXIL-WCQYABFASA-N 1 0 238.350 3.554 20 0 BHADRO C([NH2+]C1CCC2(CCCC2)CC1)C1CCC1 ZINC000161362487 205525971 /nfs/dbraw/zinc/52/59/71/205525971.db2.gz YHTJEWLVHGSUQC-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H](CC[NH2+]CCCC1CC1)c1ccccc1 ZINC000161362677 343204538 /nfs/dbraw/zinc/20/45/38/343204538.db2.gz RIRBLFGAULNTLS-AWEZNQCLSA-N 1 0 231.383 3.960 20 0 BHADRO C[C@H](CC[NH2+]CCCC1CC1)c1ccccc1 ZINC000161362803 343204677 /nfs/dbraw/zinc/20/46/77/343204677.db2.gz RIRBLFGAULNTLS-CQSZACIVSA-N 1 0 231.383 3.960 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000161363033 384985348 /nfs/dbraw/zinc/98/53/48/384985348.db2.gz KVLRBFBMAPEYCJ-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO CSCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161366247 349432019 /nfs/dbraw/zinc/43/20/19/349432019.db2.gz SQUTZEWEDRSLAK-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C(CC1CC1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161367494 538915292 /nfs/dbraw/zinc/91/52/92/538915292.db2.gz JAPFZMGNKSXWHA-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161370327 384987888 /nfs/dbraw/zinc/98/78/88/384987888.db2.gz XXYNWBPAKXVTQD-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161370459 205525956 /nfs/dbraw/zinc/52/59/56/205525956.db2.gz XXYNWBPAKXVTQD-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161370578 384483096 /nfs/dbraw/zinc/48/30/96/384483096.db2.gz XXYNWBPAKXVTQD-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161370699 384987229 /nfs/dbraw/zinc/98/72/29/384987229.db2.gz XXYNWBPAKXVTQD-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO CS[C@@H](C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161371609 349434312 /nfs/dbraw/zinc/43/43/12/349434312.db2.gz VAAWMZDVSDUWOW-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H](C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161371725 349434473 /nfs/dbraw/zinc/43/44/73/349434473.db2.gz VAAWMZDVSDUWOW-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC1CC([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000161372090 384989227 /nfs/dbraw/zinc/98/92/27/384989227.db2.gz PBUPTCKVQQGYGA-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO CSC[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161372233 384483298 /nfs/dbraw/zinc/48/32/98/384483298.db2.gz LVNFQZLSCLQGBE-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161372356 133513547 /nfs/dbraw/zinc/51/35/47/133513547.db2.gz LVNFQZLSCLQGBE-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO C1=CCC([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000161372526 538915422 /nfs/dbraw/zinc/91/54/22/538915422.db2.gz NVHZAYZXDLVSSV-UHFFFAOYSA-N 1 0 219.372 3.798 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 ZINC000161396821 323091294 /nfs/dbraw/zinc/09/12/94/323091294.db2.gz FCTAGFHEONTGDB-NWDGAFQWSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCC2CC2)C1 ZINC000161396945 387208703 /nfs/dbraw/zinc/20/87/03/387208703.db2.gz FCTAGFHEONTGDB-VXGBXAGGSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 ZINC000161397073 323511636 /nfs/dbraw/zinc/51/16/36/323511636.db2.gz FCTAGFHEONTGDB-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCC2CC2)C1 ZINC000161397225 387208899 /nfs/dbraw/zinc/20/88/99/387208899.db2.gz FCTAGFHEONTGDB-NEPJUHHUSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)c1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000161410874 323512389 /nfs/dbraw/zinc/51/23/89/323512389.db2.gz FZEGMOYVEVEGBV-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCCc1ccccc1 ZINC000161492827 538915833 /nfs/dbraw/zinc/91/58/33/538915833.db2.gz RUOAEBPQZUIFGY-CQSZACIVSA-N 1 0 219.372 3.645 20 0 BHADRO CC[C@H](C)C[NH2+]CCCCc1ccccc1 ZINC000161492944 538111641 /nfs/dbraw/zinc/11/16/41/538111641.db2.gz RUOAEBPQZUIFGY-AWEZNQCLSA-N 1 0 219.372 3.645 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000161514010 385208558 /nfs/dbraw/zinc/20/85/58/385208558.db2.gz CRFOZHXXHROJHK-SECBINFHSA-N 1 0 229.726 3.615 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000161514133 385210409 /nfs/dbraw/zinc/21/04/09/385210409.db2.gz CRFOZHXXHROJHK-VIFPVBQESA-N 1 0 229.726 3.615 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC=C(C)C ZINC000161546238 385344874 /nfs/dbraw/zinc/34/48/74/385344874.db2.gz YSHXPOTWUCIMNM-CYBMUJFWSA-N 1 0 233.355 3.620 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CC=C(C)C ZINC000161546342 385344771 /nfs/dbraw/zinc/34/47/71/385344771.db2.gz YSHXPOTWUCIMNM-ZDUSSCGKSA-N 1 0 233.355 3.620 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000161566169 387245354 /nfs/dbraw/zinc/24/53/54/387245354.db2.gz MHRHJAZRMWVOIF-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000161566300 323550961 /nfs/dbraw/zinc/55/09/61/323550961.db2.gz MHRHJAZRMWVOIF-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000161566312 385359971 /nfs/dbraw/zinc/35/99/71/385359971.db2.gz GAZAWEVJYYKBPH-NQMVMOMDSA-N 1 0 241.787 3.634 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000161566562 385359397 /nfs/dbraw/zinc/35/93/97/385359397.db2.gz GAZAWEVJYYKBPH-KHQFGBGNSA-N 1 0 241.787 3.634 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000161585806 179551360 /nfs/dbraw/zinc/55/13/60/179551360.db2.gz SIDICASQGZSBAK-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CCSCC1 ZINC000161585910 179555150 /nfs/dbraw/zinc/55/51/50/179555150.db2.gz SIDICASQGZSBAK-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCSCC1 ZINC000161586852 385370207 /nfs/dbraw/zinc/37/02/07/385370207.db2.gz MYWBJWHCTNIAMT-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CCSCC1 ZINC000161586984 385370559 /nfs/dbraw/zinc/37/05/59/385370559.db2.gz MYWBJWHCTNIAMT-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CCSCC1 ZINC000161587115 205528165 /nfs/dbraw/zinc/52/81/65/205528165.db2.gz MYWBJWHCTNIAMT-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CCSCC1 ZINC000161587231 385370291 /nfs/dbraw/zinc/37/02/91/385370291.db2.gz MYWBJWHCTNIAMT-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1(C)CCCC1 ZINC000161596714 538917179 /nfs/dbraw/zinc/91/71/79/538917179.db2.gz MAVMYIFJFGYNSH-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1(C)CCCC1 ZINC000161596843 538917105 /nfs/dbraw/zinc/91/71/05/538917105.db2.gz MAVMYIFJFGYNSH-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccc(C)nc1 ZINC000161602004 323552611 /nfs/dbraw/zinc/55/26/11/323552611.db2.gz JAGQRLIURGBDMG-CZUORRHYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccc(C)nc1 ZINC000161602121 323552538 /nfs/dbraw/zinc/55/25/38/323552538.db2.gz JAGQRLIURGBDMG-XJKSGUPXSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccc(C)nc1 ZINC000161602253 387251311 /nfs/dbraw/zinc/25/13/11/387251311.db2.gz JAGQRLIURGBDMG-CJNGLKHVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccc(C)nc1 ZINC000161602363 387251623 /nfs/dbraw/zinc/25/16/23/387251623.db2.gz JAGQRLIURGBDMG-BBRMVZONSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000161615844 385379963 /nfs/dbraw/zinc/37/99/63/385379963.db2.gz LDYLMDJJDMKSKU-SNVBAGLBSA-N 1 0 248.757 3.776 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000161615951 529180629 /nfs/dbraw/zinc/18/06/29/529180629.db2.gz LDYLMDJJDMKSKU-JTQLQIEISA-N 1 0 248.757 3.776 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccco2)ccc1Cl ZINC000161690807 387257831 /nfs/dbraw/zinc/25/78/31/387257831.db2.gz SYCQVFBMOTZIGC-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1cccs1 ZINC000161701200 323559200 /nfs/dbraw/zinc/55/92/00/323559200.db2.gz SHWVXPGWFXSVAO-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1cccs1 ZINC000161701342 387257996 /nfs/dbraw/zinc/25/79/96/387257996.db2.gz SHWVXPGWFXSVAO-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CCCC1CC1 ZINC000161704904 323555687 /nfs/dbraw/zinc/55/56/87/323555687.db2.gz CASVAKMWQHIKND-CYBMUJFWSA-N 1 0 235.396 3.905 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CCCC1CC1 ZINC000161705028 387253197 /nfs/dbraw/zinc/25/31/97/387253197.db2.gz CASVAKMWQHIKND-ZDUSSCGKSA-N 1 0 235.396 3.905 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCCC2CC2)s1 ZINC000161706339 323558029 /nfs/dbraw/zinc/55/80/29/323558029.db2.gz VPHLCYBVELZMML-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCCC2CC2)s1 ZINC000161706492 323558235 /nfs/dbraw/zinc/55/82/35/323558235.db2.gz VPHLCYBVELZMML-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC2CC2)cc1 ZINC000161708528 323560753 /nfs/dbraw/zinc/56/07/53/323560753.db2.gz QFCLNOJAYZMXKG-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC2CC2)cc1 ZINC000161708675 323560878 /nfs/dbraw/zinc/56/08/78/323560878.db2.gz QFCLNOJAYZMXKG-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO C(C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)CC1CC1 ZINC000161709894 323560757 /nfs/dbraw/zinc/56/07/57/323560757.db2.gz WLMVUCVKGURXKV-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)CC1CC1 ZINC000161709999 387260835 /nfs/dbraw/zinc/26/08/35/387260835.db2.gz WLMVUCVKGURXKV-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)CC1CC1 ZINC000161710145 387260044 /nfs/dbraw/zinc/26/00/44/387260044.db2.gz WLMVUCVKGURXKV-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)CC1CC1 ZINC000161710291 323560678 /nfs/dbraw/zinc/56/06/78/323560678.db2.gz WLMVUCVKGURXKV-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCC2CC2)c(C)s1 ZINC000161710463 538917410 /nfs/dbraw/zinc/91/74/10/538917410.db2.gz SKQDGZAKOKANTJ-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCC2CC2)c(C)s1 ZINC000161710584 538917288 /nfs/dbraw/zinc/91/72/88/538917288.db2.gz SKQDGZAKOKANTJ-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC2CC2)s1 ZINC000161711217 387260603 /nfs/dbraw/zinc/26/06/03/387260603.db2.gz LWKKQTFTJJVSGC-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC2CC2)s1 ZINC000161711334 323067946 /nfs/dbraw/zinc/06/79/46/323067946.db2.gz LWKKQTFTJJVSGC-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cccs1 ZINC000161716172 387260292 /nfs/dbraw/zinc/26/02/92/387260292.db2.gz FCBBALABFMIVFT-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cccs1 ZINC000161716291 387260081 /nfs/dbraw/zinc/26/00/81/387260081.db2.gz FCBBALABFMIVFT-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000161717607 387260860 /nfs/dbraw/zinc/26/08/60/387260860.db2.gz OERYQOAPXCMAEL-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCCC1CC1 ZINC000161717713 387260348 /nfs/dbraw/zinc/26/03/48/387260348.db2.gz OERYQOAPXCMAEL-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccsc1 ZINC000161720338 387259879 /nfs/dbraw/zinc/25/98/79/387259879.db2.gz RTYJEOIQNWZWST-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccsc1 ZINC000161720474 387260844 /nfs/dbraw/zinc/26/08/44/387260844.db2.gz RTYJEOIQNWZWST-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCC1 ZINC000161765342 538918411 /nfs/dbraw/zinc/91/84/11/538918411.db2.gz MAWJFAZKWLIGCA-TUKIKUTGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCC1 ZINC000161765636 538918105 /nfs/dbraw/zinc/91/81/05/538918105.db2.gz MAWJFAZKWLIGCA-CQDKDKBSSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000161766164 201011869 /nfs/dbraw/zinc/01/18/69/201011869.db2.gz MWYREBTZUGOXBW-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000161766306 201012290 /nfs/dbraw/zinc/01/22/90/201012290.db2.gz MWYREBTZUGOXBW-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000161766436 201011557 /nfs/dbraw/zinc/01/15/57/201011557.db2.gz MWYREBTZUGOXBW-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000161766591 201011518 /nfs/dbraw/zinc/01/15/18/201011518.db2.gz MWYREBTZUGOXBW-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161767117 387265316 /nfs/dbraw/zinc/26/53/16/387265316.db2.gz ALWYONMWMDLJIK-AXFHLTTASA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161767406 323564011 /nfs/dbraw/zinc/56/40/11/323564011.db2.gz ALWYONMWMDLJIK-DCAQKATOSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000161768189 171295915 /nfs/dbraw/zinc/29/59/15/171295915.db2.gz UEQQSNLMSSGWQR-AXFHLTTASA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000161768473 171297987 /nfs/dbraw/zinc/29/79/87/171297987.db2.gz UEQQSNLMSSGWQR-DCAQKATOSA-N 1 0 226.389 3.618 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)c(C)c1 ZINC000161773055 201048108 /nfs/dbraw/zinc/04/81/08/201048108.db2.gz YABFJLIKFVNGNK-HRDQMINSSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)c(C)c1 ZINC000161773172 201047815 /nfs/dbraw/zinc/04/78/15/201047815.db2.gz YABFJLIKFVNGNK-QRMWWUJWSA-N 1 0 217.356 3.753 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000161773553 349503885 /nfs/dbraw/zinc/50/38/85/349503885.db2.gz WMWIJEYKFFHOJK-ZALBZXLWSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000161773687 349504262 /nfs/dbraw/zinc/50/42/62/349504262.db2.gz WMWIJEYKFFHOJK-PESDSKBTSA-N 1 0 217.356 3.916 20 0 BHADRO CC1CC([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000161774872 168148188 /nfs/dbraw/zinc/14/81/88/168148188.db2.gz ZXECXFFCFTVKFK-GCZXYKMCSA-N 1 0 233.380 3.612 20 0 BHADRO CC1CC([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000161775010 168148478 /nfs/dbraw/zinc/14/84/78/168148478.db2.gz ZXECXFFCFTVKFK-XIVSLSHWSA-N 1 0 233.380 3.612 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000161775117 201049957 /nfs/dbraw/zinc/04/99/57/201049957.db2.gz IHTQQGBGKTXIJD-JVWICGRDSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000161775243 201050061 /nfs/dbraw/zinc/05/00/61/201050061.db2.gz IHTQQGBGKTXIJD-OWYJLGKBSA-N 1 0 217.356 3.753 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1cccs1 ZINC000161775397 201049508 /nfs/dbraw/zinc/04/95/08/201049508.db2.gz CVUKOTPAMMPJCU-ILDUYXDCSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccs1 ZINC000161775561 201049931 /nfs/dbraw/zinc/04/99/31/201049931.db2.gz CVUKOTPAMMPJCU-VQXHTEKXSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(Cl)s1 ZINC000161775707 201049705 /nfs/dbraw/zinc/04/97/05/201049705.db2.gz HLODFYZNASHWLM-MGURRDGZSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Cl)s1 ZINC000161775841 201050229 /nfs/dbraw/zinc/05/02/29/201050229.db2.gz HLODFYZNASHWLM-QJAFJHJLSA-N 1 0 229.776 3.851 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)C2)c(C)s1 ZINC000161777091 360551939 /nfs/dbraw/zinc/55/19/39/360551939.db2.gz GRLKUGKSVBQVLZ-KRBLXSNTSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)C2)c(C)s1 ZINC000161777255 360551645 /nfs/dbraw/zinc/55/16/45/360551645.db2.gz GRLKUGKSVBQVLZ-BSTRBVHOSA-N 1 0 223.385 3.814 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C)C1 ZINC000161778259 201055599 /nfs/dbraw/zinc/05/55/99/201055599.db2.gz JRSDALWXCPSHIA-NWINJMCUSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)C1 ZINC000161778391 201055451 /nfs/dbraw/zinc/05/54/51/201055451.db2.gz JRSDALWXCPSHIA-PQAZSJQKSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)C1 ZINC000161778544 201055039 /nfs/dbraw/zinc/05/50/39/201055039.db2.gz JRSDALWXCPSHIA-CLRIEMFWSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)C1 ZINC000161778662 201054298 /nfs/dbraw/zinc/05/42/98/201054298.db2.gz JRSDALWXCPSHIA-HOAMVYINSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1 ZINC000161779336 201055596 /nfs/dbraw/zinc/05/55/96/201055596.db2.gz OWBOPJPCNAKDAF-QUNCOHTASA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1 ZINC000161779453 201056206 /nfs/dbraw/zinc/05/62/06/201056206.db2.gz OWBOPJPCNAKDAF-RUETXSTFSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(F)c(Cl)c1 ZINC000161780533 201060534 /nfs/dbraw/zinc/06/05/34/201060534.db2.gz GXHJNZVAGXLCMB-YUCVTWSNSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)c(Cl)c1 ZINC000161780669 201061807 /nfs/dbraw/zinc/06/18/07/201061807.db2.gz GXHJNZVAGXLCMB-INWMGODYSA-N 1 0 241.737 3.928 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000161781087 633013457 /nfs/dbraw/zinc/01/34/57/633013457.db2.gz SUMNUCHPFPKKPR-VSSFCTHRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000161781329 711619624 /nfs/dbraw/zinc/61/96/24/711619624.db2.gz SUMNUCHPFPKKPR-KSDPFWLUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000161781601 201111727 /nfs/dbraw/zinc/11/17/27/201111727.db2.gz CRLKLHINQKUPDZ-RTYFJBAXSA-N 1 0 221.369 3.514 20 0 BHADRO CC1CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000161781714 201112105 /nfs/dbraw/zinc/11/21/05/201112105.db2.gz CRLKLHINQKUPDZ-CBINBANVSA-N 1 0 221.369 3.514 20 0 BHADRO CC1CC([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000161781816 201112346 /nfs/dbraw/zinc/11/23/46/201112346.db2.gz YABOKKSUFNHRHW-WIQPZXRYSA-N 1 0 235.758 3.715 20 0 BHADRO CC1CC([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000161781955 201112655 /nfs/dbraw/zinc/11/26/55/201112655.db2.gz YABOKKSUFNHRHW-ASYNLNLVSA-N 1 0 235.758 3.715 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000161787982 360573545 /nfs/dbraw/zinc/57/35/45/360573545.db2.gz PSIPYZPJOQBAMP-UBHUBRDASA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000161788083 360573351 /nfs/dbraw/zinc/57/33/51/360573351.db2.gz PSIPYZPJOQBAMP-UXUKBGGZSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000161788983 384526595 /nfs/dbraw/zinc/52/65/95/384526595.db2.gz RDFSUIDKQFUIOZ-HRDQMINSSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000161789083 201124037 /nfs/dbraw/zinc/12/40/37/201124037.db2.gz RDFSUIDKQFUIOZ-QRMWWUJWSA-N 1 0 217.356 3.753 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000161789255 201124289 /nfs/dbraw/zinc/12/42/89/201124289.db2.gz HXDZMKARUCKJDQ-AKJDGMEZSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000161789379 201124345 /nfs/dbraw/zinc/12/43/45/201124345.db2.gz HXDZMKARUCKJDQ-QWKFWESOSA-N 1 0 235.396 3.858 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1F ZINC000161790542 201123685 /nfs/dbraw/zinc/12/36/85/201123685.db2.gz PNTJQEVBDUQXNV-DMLGSKKGSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1F ZINC000161790684 201124153 /nfs/dbraw/zinc/12/41/53/201124153.db2.gz PNTJQEVBDUQXNV-QDYJBQRPSA-N 1 0 221.319 3.583 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cccc(Cl)c1 ZINC000161793316 201149478 /nfs/dbraw/zinc/14/94/78/201149478.db2.gz MMVPVZLCGFZAER-QUNCOHTASA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cccc(Cl)c1 ZINC000161793479 201147768 /nfs/dbraw/zinc/14/77/68/201147768.db2.gz MMVPVZLCGFZAER-RUETXSTFSA-N 1 0 223.747 3.789 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1C ZINC000161793601 201152471 /nfs/dbraw/zinc/15/24/71/201152471.db2.gz RRAUYSWNCXYKTK-VROQLPPWSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1C ZINC000161793740 201152888 /nfs/dbraw/zinc/15/28/88/201152888.db2.gz RRAUYSWNCXYKTK-IQYSWEBNSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)s1 ZINC000161794338 384526967 /nfs/dbraw/zinc/52/69/67/384526967.db2.gz NEJZMERMVNBDMO-LDGBHUKOSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)s1 ZINC000161794456 384527239 /nfs/dbraw/zinc/52/72/39/384527239.db2.gz NEJZMERMVNBDMO-JZQLECPJSA-N 1 0 209.358 3.506 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1Cl ZINC000161795143 201153735 /nfs/dbraw/zinc/15/37/35/201153735.db2.gz AJHSSIBDUQTAHJ-YUCVTWSNSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1Cl ZINC000161795272 201154074 /nfs/dbraw/zinc/15/40/74/201154074.db2.gz AJHSSIBDUQTAHJ-INWMGODYSA-N 1 0 241.737 3.928 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000161797961 201155619 /nfs/dbraw/zinc/15/56/19/201155619.db2.gz DPGTVIDFSKOIAW-MQYJIDSJSA-N 1 0 217.356 3.698 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000161798097 201156484 /nfs/dbraw/zinc/15/64/84/201156484.db2.gz DPGTVIDFSKOIAW-AVERBVTBSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccc(C)cc1 ZINC000161799122 535893011 /nfs/dbraw/zinc/89/30/11/535893011.db2.gz GCFRDZHJVRYJSP-ZALBZXLWSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccc(C)cc1 ZINC000161799254 349499561 /nfs/dbraw/zinc/49/95/61/349499561.db2.gz GCFRDZHJVRYJSP-PESDSKBTSA-N 1 0 217.356 3.834 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(C)C2)s1 ZINC000161799405 201157689 /nfs/dbraw/zinc/15/76/89/201157689.db2.gz ODHBDWGSTUJENM-HSOILSAZSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(C)C2)s1 ZINC000161799526 385777838 /nfs/dbraw/zinc/77/78/38/385777838.db2.gz ODHBDWGSTUJENM-YVNMAJEFSA-N 1 0 223.385 3.760 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1 ZINC000161802580 349507990 /nfs/dbraw/zinc/50/79/90/349507990.db2.gz BSPJMVAWGCEUFP-DBRPNBKGSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1 ZINC000161802707 133516018 /nfs/dbraw/zinc/51/60/18/133516018.db2.gz BSPJMVAWGCEUFP-UZANAETPSA-N 1 0 221.319 3.665 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000161804853 384527791 /nfs/dbraw/zinc/52/77/91/384527791.db2.gz IZAISDYSCYDYEO-LDGBHUKOSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000161804996 384526632 /nfs/dbraw/zinc/52/66/32/384526632.db2.gz IZAISDYSCYDYEO-JZQLECPJSA-N 1 0 209.358 3.506 20 0 BHADRO CC1CC([NH2+][C@@H]2CCc3sc(Cl)cc32)C1 ZINC000161805625 201157872 /nfs/dbraw/zinc/15/78/72/201157872.db2.gz XYFJKJWFFASNCD-SFVIPPHHSA-N 1 0 241.787 3.777 20 0 BHADRO CC1CC([NH2+][C@H]2CCc3sc(Cl)cc32)C1 ZINC000161805770 205723580 /nfs/dbraw/zinc/72/35/80/205723580.db2.gz XYFJKJWFFASNCD-KTOWXAHTSA-N 1 0 241.787 3.777 20 0 BHADRO CCc1cccc2c(CC[NH2+][C@@H](C)CC)c[nH]c21 ZINC000161810709 387271214 /nfs/dbraw/zinc/27/12/14/387271214.db2.gz XHKNLYCXYGLGSM-LBPRGKRZSA-N 1 0 244.382 3.661 20 0 BHADRO CCc1cccc2c(CC[NH2+][C@H](C)CC)c[nH]c21 ZINC000161810840 387271603 /nfs/dbraw/zinc/27/16/03/387271603.db2.gz XHKNLYCXYGLGSM-GFCCVEGCSA-N 1 0 244.382 3.661 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(Cl)c(F)c1 ZINC000161813765 323566610 /nfs/dbraw/zinc/56/66/10/323566610.db2.gz GWFHWXXKMPATMD-YUCVTWSNSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Cl)c(F)c1 ZINC000161813892 323076487 /nfs/dbraw/zinc/07/64/87/323076487.db2.gz GWFHWXXKMPATMD-INWMGODYSA-N 1 0 241.737 3.928 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000161826996 323567791 /nfs/dbraw/zinc/56/77/91/323567791.db2.gz DLDUGVYVYSSVRM-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)C1CCCCCC1 ZINC000161827150 323567794 /nfs/dbraw/zinc/56/77/94/323567794.db2.gz DLDUGVYVYSSVRM-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1cccs1 ZINC000161857808 632436478 /nfs/dbraw/zinc/43/64/78/632436478.db2.gz DGBHZMJDFRSXMU-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1cccs1 ZINC000161857944 632436588 /nfs/dbraw/zinc/43/65/88/632436588.db2.gz DGBHZMJDFRSXMU-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCC2CCC2)s1 ZINC000161861526 632437747 /nfs/dbraw/zinc/43/77/47/632437747.db2.gz OQHPPBWNXSQCAK-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCC2CCC2)s1 ZINC000161861657 632438338 /nfs/dbraw/zinc/43/83/38/632438338.db2.gz OQHPPBWNXSQCAK-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CCC2)cc1 ZINC000161863008 538919442 /nfs/dbraw/zinc/91/94/42/538919442.db2.gz BRAHQUPWXCTLKA-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CCC2)cc1 ZINC000161863138 538919459 /nfs/dbraw/zinc/91/94/59/538919459.db2.gz BRAHQUPWXCTLKA-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO C(CC1CCC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000161864187 633014505 /nfs/dbraw/zinc/01/45/05/633014505.db2.gz LXXNUFYFVLNXKL-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000161864326 632438617 /nfs/dbraw/zinc/43/86/17/632438617.db2.gz LXXNUFYFVLNXKL-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000161864433 632438316 /nfs/dbraw/zinc/43/83/16/632438316.db2.gz LXXNUFYFVLNXKL-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000161864573 632439766 /nfs/dbraw/zinc/43/97/66/632439766.db2.gz LXXNUFYFVLNXKL-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC2CCC2)c(C)s1 ZINC000161864717 632440178 /nfs/dbraw/zinc/44/01/78/632440178.db2.gz VMKQBKCGQRQMTE-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC2CCC2)c(C)s1 ZINC000161864838 632439538 /nfs/dbraw/zinc/43/95/38/632439538.db2.gz VMKQBKCGQRQMTE-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CCC2)s1 ZINC000161865649 632439318 /nfs/dbraw/zinc/43/93/18/632439318.db2.gz ACRWTXAVCMBZKP-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CCC2)s1 ZINC000161865801 632440257 /nfs/dbraw/zinc/44/02/57/632440257.db2.gz ACRWTXAVCMBZKP-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)C1CCC1 ZINC000161892475 633014509 /nfs/dbraw/zinc/01/45/09/633014509.db2.gz CJEDSUZASWTNRJ-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)C1CCC1 ZINC000161892629 632449365 /nfs/dbraw/zinc/44/93/65/632449365.db2.gz CJEDSUZASWTNRJ-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000161918252 201244829 /nfs/dbraw/zinc/24/48/29/201244829.db2.gz OOEXRVBJLDELAS-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000161918366 201245321 /nfs/dbraw/zinc/24/53/21/201245321.db2.gz OOEXRVBJLDELAS-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000161918465 201246480 /nfs/dbraw/zinc/24/64/80/201246480.db2.gz OOEXRVBJLDELAS-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000161918563 385785953 /nfs/dbraw/zinc/78/59/53/385785953.db2.gz OOEXRVBJLDELAS-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000161919437 201244581 /nfs/dbraw/zinc/24/45/81/201244581.db2.gz LBSIAONYLMDFKP-AGIUHOORSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000161919553 201245378 /nfs/dbraw/zinc/24/53/78/201245378.db2.gz LBSIAONYLMDFKP-UPJWGTAASA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000161919673 201244571 /nfs/dbraw/zinc/24/45/71/201244571.db2.gz LBSIAONYLMDFKP-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000161919775 201245278 /nfs/dbraw/zinc/24/52/78/201245278.db2.gz LBSIAONYLMDFKP-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000161921160 633014053 /nfs/dbraw/zinc/01/40/53/633014053.db2.gz LMXOFXWSAUHQSA-XJFOESAGSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C)C[NH2+]C(CC(C)C)CC(C)C ZINC000161923083 201247084 /nfs/dbraw/zinc/24/70/84/201247084.db2.gz UVZLEPUXMANXLL-GFCCVEGCSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@@H](C)C[NH2+]C(CC(C)C)CC(C)C ZINC000161923178 201248375 /nfs/dbraw/zinc/24/83/75/201248375.db2.gz UVZLEPUXMANXLL-LBPRGKRZSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)SC ZINC000161940159 201307454 /nfs/dbraw/zinc/30/74/54/201307454.db2.gz UNKYDUCTDICMNM-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)SC ZINC000161940405 201308500 /nfs/dbraw/zinc/30/85/00/201308500.db2.gz UNKYDUCTDICMNM-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000161941926 632460181 /nfs/dbraw/zinc/46/01/81/632460181.db2.gz OOHAWDMXNBKSDK-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H](C)SC ZINC000161942048 632460015 /nfs/dbraw/zinc/46/00/15/632460015.db2.gz OOHAWDMXNBKSDK-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H](C)SC ZINC000161942163 632459710 /nfs/dbraw/zinc/45/97/10/632459710.db2.gz OOHAWDMXNBKSDK-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H](C)SC ZINC000161942279 637052260 /nfs/dbraw/zinc/05/22/60/637052260.db2.gz OOHAWDMXNBKSDK-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000161948884 201378437 /nfs/dbraw/zinc/37/84/37/201378437.db2.gz LAGCIGIPPPZWAJ-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000161949010 201378825 /nfs/dbraw/zinc/37/88/25/201378825.db2.gz LAGCIGIPPPZWAJ-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000161949128 384547989 /nfs/dbraw/zinc/54/79/89/384547989.db2.gz LAGCIGIPPPZWAJ-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000161949248 201377736 /nfs/dbraw/zinc/37/77/36/201377736.db2.gz LAGCIGIPPPZWAJ-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)o1 ZINC000161957389 633015183 /nfs/dbraw/zinc/01/51/83/633015183.db2.gz NWDFWGJLRIXORD-LLVKDONJSA-N 1 0 223.360 3.614 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)o1 ZINC000161957508 633015435 /nfs/dbraw/zinc/01/54/35/633015435.db2.gz NWDFWGJLRIXORD-NSHDSACASA-N 1 0 223.360 3.614 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000161979370 538919942 /nfs/dbraw/zinc/91/99/42/538919942.db2.gz OZJMSRAADVXKIC-OLZOCXBDSA-N 1 0 237.387 3.873 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000161979501 538920167 /nfs/dbraw/zinc/92/01/67/538920167.db2.gz OZJMSRAADVXKIC-CHWSQXEVSA-N 1 0 237.387 3.873 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCc1ccco1)C(C)(C)C ZINC000161979620 538920265 /nfs/dbraw/zinc/92/02/65/538920265.db2.gz OZJMSRAADVXKIC-STQMWFEESA-N 1 0 237.387 3.873 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@H](C)C(C)(C)C ZINC000161979725 538920347 /nfs/dbraw/zinc/92/03/47/538920347.db2.gz OZJMSRAADVXKIC-QWHCGFSZSA-N 1 0 237.387 3.873 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c(C)s1 ZINC000161982389 538920158 /nfs/dbraw/zinc/92/01/58/538920158.db2.gz ZUBVJGLIGKJYTC-DTWKUNHWSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)C2CCC2)c(C)s1 ZINC000161982517 538920149 /nfs/dbraw/zinc/92/01/49/538920149.db2.gz ZUBVJGLIGKJYTC-IUCAKERBSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)C2CCC2)c(C)s1 ZINC000161982657 538919992 /nfs/dbraw/zinc/91/99/92/538919992.db2.gz ZUBVJGLIGKJYTC-RKDXNWHRSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)C2CCC2)c(C)s1 ZINC000161982781 538920156 /nfs/dbraw/zinc/92/01/56/538920156.db2.gz ZUBVJGLIGKJYTC-BDAKNGLRSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)C(C)(C)C ZINC000161984242 637095294 /nfs/dbraw/zinc/09/52/94/637095294.db2.gz FQSSUHHTXLSRBI-QWRGUYRKSA-N 1 0 209.333 3.612 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccco1 ZINC000161984345 632478166 /nfs/dbraw/zinc/47/81/66/632478166.db2.gz FQSSUHHTXLSRBI-MNOVXSKESA-N 1 0 209.333 3.612 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccco1 ZINC000161984432 632476423 /nfs/dbraw/zinc/47/64/23/632476423.db2.gz FQSSUHHTXLSRBI-WDEREUQCSA-N 1 0 209.333 3.612 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccco1 ZINC000161984552 632476124 /nfs/dbraw/zinc/47/61/24/632476124.db2.gz FQSSUHHTXLSRBI-GHMZBOCLSA-N 1 0 209.333 3.612 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000161984559 387744596 /nfs/dbraw/zinc/74/45/96/387744596.db2.gz GRMQNUWBWQVJNT-QWHCGFSZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000161984646 387743980 /nfs/dbraw/zinc/74/39/80/387743980.db2.gz GRMQNUWBWQVJNT-STQMWFEESA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000161984723 201545581 /nfs/dbraw/zinc/54/55/81/201545581.db2.gz GRMQNUWBWQVJNT-CHWSQXEVSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000161984800 201545055 /nfs/dbraw/zinc/54/50/55/201545055.db2.gz GRMQNUWBWQVJNT-OLZOCXBDSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C(C)(C)C ZINC000161987798 538920069 /nfs/dbraw/zinc/92/00/69/538920069.db2.gz GMVVRXVLLNJQLZ-NWDGAFQWSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C(C)(C)C ZINC000161987910 538920218 /nfs/dbraw/zinc/92/02/18/538920218.db2.gz GMVVRXVLLNJQLZ-VXGBXAGGSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C(C)(C)C ZINC000161988031 538920225 /nfs/dbraw/zinc/92/02/25/538920225.db2.gz GMVVRXVLLNJQLZ-RYUDHWBXSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C(C)(C)C ZINC000161988158 538920116 /nfs/dbraw/zinc/92/01/16/538920116.db2.gz GMVVRXVLLNJQLZ-NEPJUHHUSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)o1 ZINC000161990481 538920053 /nfs/dbraw/zinc/92/00/53/538920053.db2.gz UYEXKACAUKGTHI-ZYHUDNBSSA-N 1 0 223.360 3.921 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)o1 ZINC000161990597 538920290 /nfs/dbraw/zinc/92/02/90/538920290.db2.gz UYEXKACAUKGTHI-PWSUYJOCSA-N 1 0 223.360 3.921 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)o1 ZINC000161990706 538919986 /nfs/dbraw/zinc/91/99/86/538919986.db2.gz UYEXKACAUKGTHI-CMPLNLGQSA-N 1 0 223.360 3.921 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)o1 ZINC000161990818 538920160 /nfs/dbraw/zinc/92/01/60/538920160.db2.gz UYEXKACAUKGTHI-JQWIXIFHSA-N 1 0 223.360 3.921 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)C(C)(C)C ZINC000161992401 711637119 /nfs/dbraw/zinc/63/71/19/711637119.db2.gz LJDONMBKZKAWLW-QWRGUYRKSA-N 1 0 209.333 3.612 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccoc1 ZINC000161992525 711637111 /nfs/dbraw/zinc/63/71/11/711637111.db2.gz LJDONMBKZKAWLW-MNOVXSKESA-N 1 0 209.333 3.612 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccoc1 ZINC000161992630 711637301 /nfs/dbraw/zinc/63/73/01/711637301.db2.gz LJDONMBKZKAWLW-WDEREUQCSA-N 1 0 209.333 3.612 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccoc1 ZINC000161992750 633018300 /nfs/dbraw/zinc/01/83/00/633018300.db2.gz LJDONMBKZKAWLW-GHMZBOCLSA-N 1 0 209.333 3.612 20 0 BHADRO CCC(CC)[NH2+]Cc1c(Cl)cccc1OC ZINC000162014222 201598446 /nfs/dbraw/zinc/59/84/46/201598446.db2.gz LWIKPYYCARUBGQ-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1c(Cl)cccc1OC ZINC000162014591 384559522 /nfs/dbraw/zinc/55/95/22/384559522.db2.gz SIBRASKSKKAUJR-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1c(Cl)cccc1OC ZINC000162014663 201600252 /nfs/dbraw/zinc/60/02/52/201600252.db2.gz SIBRASKSKKAUJR-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCCC1CC1 ZINC000162052087 323589988 /nfs/dbraw/zinc/58/99/88/323589988.db2.gz MNUNANMZXXYXQK-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCC1CCC1 ZINC000162052768 633017314 /nfs/dbraw/zinc/01/73/14/633017314.db2.gz MSQVMOOTGJQVNN-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000162062234 538920606 /nfs/dbraw/zinc/92/06/06/538920606.db2.gz GCCLDSYVQYSMKH-STQMWFEESA-N 1 0 209.377 3.615 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000162062342 538920487 /nfs/dbraw/zinc/92/04/87/538920487.db2.gz GCCLDSYVQYSMKH-OLZOCXBDSA-N 1 0 209.377 3.615 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000162062449 538920468 /nfs/dbraw/zinc/92/04/68/538920468.db2.gz GCCLDSYVQYSMKH-QWHCGFSZSA-N 1 0 209.377 3.615 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000162062570 538920542 /nfs/dbraw/zinc/92/05/42/538920542.db2.gz GCCLDSYVQYSMKH-CHWSQXEVSA-N 1 0 209.377 3.615 20 0 BHADRO c1nc2c(n1C1CCCCCC1)CCCC2 ZINC000162073604 362886943 /nfs/dbraw/zinc/88/69/43/362886943.db2.gz FCXIAZLURXVRLO-UHFFFAOYSA-N 1 0 218.344 3.657 20 0 BHADRO CCC(CC)Cn1c(C)[nH+]c2c1CCCC2 ZINC000162073967 487608124 /nfs/dbraw/zinc/60/81/24/487608124.db2.gz NSYIKOOSVVQRLF-UHFFFAOYSA-N 1 0 220.360 3.507 20 0 BHADRO c1csc([C@H]([NH2+]CCCC2CC2)C2CC2)c1 ZINC000162084025 633020504 /nfs/dbraw/zinc/02/05/04/633020504.db2.gz OFXVUCQQOVYZFY-CQSZACIVSA-N 1 0 235.396 3.979 20 0 BHADRO CC1CC([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000162085849 388109232 /nfs/dbraw/zinc/10/92/32/388109232.db2.gz YHGUQKIUZIYQDP-QEIKUCIBSA-N 1 0 221.369 3.587 20 0 BHADRO CC1CC([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000162085977 528163639 /nfs/dbraw/zinc/16/36/39/528163639.db2.gz YHGUQKIUZIYQDP-OCTTZUBCSA-N 1 0 221.369 3.587 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000162086617 384771328 /nfs/dbraw/zinc/77/13/28/384771328.db2.gz OSFSFIUDDVWNFR-PESDSKBTSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000162086741 388108797 /nfs/dbraw/zinc/10/87/97/388108797.db2.gz OSFSFIUDDVWNFR-ZALBZXLWSA-N 1 0 217.356 3.772 20 0 BHADRO CC1CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000162086869 201756772 /nfs/dbraw/zinc/75/67/72/201756772.db2.gz YRVTWVLLPMCLDY-KWCHVYNWSA-N 1 0 215.340 3.526 20 0 BHADRO CC1CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000162086966 384796137 /nfs/dbraw/zinc/79/61/37/384796137.db2.gz YRVTWVLLPMCLDY-WDIPEOLASA-N 1 0 215.340 3.526 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1coc2ccccc12 ZINC000162145909 387320594 /nfs/dbraw/zinc/32/05/94/387320594.db2.gz JFVKLTGZHRSNQT-UHFFFAOYSA-N 1 0 241.290 3.658 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000162149117 632521542 /nfs/dbraw/zinc/52/15/42/632521542.db2.gz KLPCEDJZTPFZPQ-QWRGUYRKSA-N 1 0 238.350 3.554 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000162149283 633022087 /nfs/dbraw/zinc/02/20/87/633022087.db2.gz KLPCEDJZTPFZPQ-MNOVXSKESA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000162149426 633021488 /nfs/dbraw/zinc/02/14/88/633021488.db2.gz KLPCEDJZTPFZPQ-WDEREUQCSA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(F)cn1 ZINC000162149547 632521921 /nfs/dbraw/zinc/52/19/21/632521921.db2.gz KLPCEDJZTPFZPQ-GHMZBOCLSA-N 1 0 238.350 3.554 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2ccco2)c1C ZINC000162154694 387325754 /nfs/dbraw/zinc/32/57/54/387325754.db2.gz GNXLBYPNBTXHRI-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)CSC)s1 ZINC000162160909 323597682 /nfs/dbraw/zinc/59/76/82/323597682.db2.gz CFJMPGDBHWXGCR-JTQLQIEISA-N 1 0 243.441 3.542 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)CSC)s1 ZINC000162161032 398132782 /nfs/dbraw/zinc/13/27/82/398132782.db2.gz CFJMPGDBHWXGCR-SNVBAGLBSA-N 1 0 243.441 3.542 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccco1 ZINC000162162879 398133392 /nfs/dbraw/zinc/13/33/92/398133392.db2.gz XZISYMCXOPMFEC-SDNWHVSQSA-N 1 0 241.334 3.815 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cccc(C)c1C ZINC000162163778 388120658 /nfs/dbraw/zinc/12/06/58/388120658.db2.gz DYCGVFQJDYVHBD-AWEZNQCLSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cccc(C)c1C ZINC000162163892 388120864 /nfs/dbraw/zinc/12/08/64/388120864.db2.gz DYCGVFQJDYVHBD-CQSZACIVSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccc(Cl)s1 ZINC000162164040 388120743 /nfs/dbraw/zinc/12/07/43/388120743.db2.gz RQHMWCCDIUPWAF-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccc(Cl)s1 ZINC000162164165 384594207 /nfs/dbraw/zinc/59/42/07/384594207.db2.gz RQHMWCCDIUPWAF-MRVPVSSYSA-N 1 0 249.832 3.633 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ccco1 ZINC000162166877 398133373 /nfs/dbraw/zinc/13/33/73/398133373.db2.gz JOWALOMSNXKJMV-DUXPYHPUSA-N 1 0 245.297 3.564 20 0 BHADRO CC[C@@H](CSC)[NH2+]CC1CCCCCC1 ZINC000162167005 388120693 /nfs/dbraw/zinc/12/06/93/388120693.db2.gz QTSNNRNMIQLPKX-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H](CSC)[NH2+]CC1CCCCCC1 ZINC000162167127 388120932 /nfs/dbraw/zinc/12/09/32/388120932.db2.gz QTSNNRNMIQLPKX-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccco2)cc1C ZINC000162168187 398133659 /nfs/dbraw/zinc/13/36/59/398133659.db2.gz RYZROZCVTUJKDQ-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000162170071 201767037 /nfs/dbraw/zinc/76/70/37/201767037.db2.gz UODXSWLGUSWLIC-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000162170296 384687593 /nfs/dbraw/zinc/68/75/93/384687593.db2.gz UODXSWLGUSWLIC-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cc(C)sc1C ZINC000162174072 541446823 /nfs/dbraw/zinc/44/68/23/541446823.db2.gz KBSGGENAQISEHS-LBPRGKRZSA-N 1 0 243.441 3.596 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cc(C)sc1C ZINC000162174176 541446853 /nfs/dbraw/zinc/44/68/53/541446853.db2.gz KBSGGENAQISEHS-GFCCVEGCSA-N 1 0 243.441 3.596 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000162175169 384953639 /nfs/dbraw/zinc/95/36/39/384953639.db2.gz QCVJTNGSOSDMNH-AWEZNQCLSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000162175308 200698512 /nfs/dbraw/zinc/69/85/12/200698512.db2.gz QCVJTNGSOSDMNH-CQSZACIVSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000162176198 388121249 /nfs/dbraw/zinc/12/12/49/388121249.db2.gz BUWCMZAGSZTGBC-AWEZNQCLSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000162176323 201774530 /nfs/dbraw/zinc/77/45/30/201774530.db2.gz BUWCMZAGSZTGBC-CQSZACIVSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccccc1Cl ZINC000162181512 385104336 /nfs/dbraw/zinc/10/43/36/385104336.db2.gz OKWKANRENKPQHZ-NSHDSACASA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccccc1Cl ZINC000162181617 388122130 /nfs/dbraw/zinc/12/21/30/388122130.db2.gz OKWKANRENKPQHZ-LLVKDONJSA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cc(C)ccc1C ZINC000162182261 388122442 /nfs/dbraw/zinc/12/24/42/388122442.db2.gz YTCBREXHAOMBLB-AWEZNQCLSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cc(C)ccc1C ZINC000162182400 388122246 /nfs/dbraw/zinc/12/22/46/388122246.db2.gz YTCBREXHAOMBLB-CQSZACIVSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccc(Cl)cc1 ZINC000162187262 200701554 /nfs/dbraw/zinc/70/15/54/200701554.db2.gz VHGITFKIJHCBGF-LBPRGKRZSA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccc(Cl)cc1 ZINC000162187393 488117862 /nfs/dbraw/zinc/11/78/62/488117862.db2.gz VHGITFKIJHCBGF-GFCCVEGCSA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cccc(Cl)c1 ZINC000162187765 388122720 /nfs/dbraw/zinc/12/27/20/388122720.db2.gz VJBNSSZTCYALDG-LBPRGKRZSA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cccc(Cl)c1 ZINC000162187879 323008879 /nfs/dbraw/zinc/00/88/79/323008879.db2.gz VJBNSSZTCYALDG-GFCCVEGCSA-N 1 0 243.803 3.571 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccc(C)cc1C ZINC000162190581 201778033 /nfs/dbraw/zinc/77/80/33/201778033.db2.gz DNQKOFKBRFYNEI-AWEZNQCLSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccc(C)cc1C ZINC000162190710 385191287 /nfs/dbraw/zinc/19/12/87/385191287.db2.gz DNQKOFKBRFYNEI-CQSZACIVSA-N 1 0 237.412 3.535 20 0 BHADRO CCSCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000162191973 349599723 /nfs/dbraw/zinc/59/97/23/349599723.db2.gz ZXXUOCUGVJORPX-AWEZNQCLSA-N 1 0 237.412 3.871 20 0 BHADRO CCSCCC[NH2+][C@H](CC)c1ccccc1 ZINC000162192111 349599796 /nfs/dbraw/zinc/59/97/96/349599796.db2.gz ZXXUOCUGVJORPX-CQSZACIVSA-N 1 0 237.412 3.871 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162222974 633024533 /nfs/dbraw/zinc/02/45/33/633024533.db2.gz QXWOCBMGRCQRTN-RYUDHWBXSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162223098 633024800 /nfs/dbraw/zinc/02/48/00/633024800.db2.gz QXWOCBMGRCQRTN-VXGBXAGGSA-N 1 0 223.335 3.535 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162223234 633024906 /nfs/dbraw/zinc/02/49/06/633024906.db2.gz QXWOCBMGRCQRTN-NWDGAFQWSA-N 1 0 223.335 3.535 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162226726 632563228 /nfs/dbraw/zinc/56/32/28/632563228.db2.gz IOZBVMXUTFMWRM-NSHDSACASA-N 1 0 223.335 3.535 20 0 BHADRO CCC(CC)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162226845 633024528 /nfs/dbraw/zinc/02/45/28/633024528.db2.gz IOZBVMXUTFMWRM-LLVKDONJSA-N 1 0 223.335 3.535 20 0 BHADRO CCCCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162229637 633024864 /nfs/dbraw/zinc/02/48/64/633024864.db2.gz QGGAGLLVGQPQAH-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO CCCCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162229760 633024542 /nfs/dbraw/zinc/02/45/42/633024542.db2.gz QGGAGLLVGQPQAH-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000162233311 528389596 /nfs/dbraw/zinc/38/95/96/528389596.db2.gz OEEYMEIKORHYLR-ZETCQYMHSA-N 1 0 218.127 3.664 20 0 BHADRO CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000162233438 528424196 /nfs/dbraw/zinc/42/41/96/528424196.db2.gz OEEYMEIKORHYLR-SSDOTTSWSA-N 1 0 218.127 3.664 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162238151 206095667 /nfs/dbraw/zinc/09/56/67/206095667.db2.gz ASJJCYCNKAMTHD-SNVBAGLBSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162238265 205528407 /nfs/dbraw/zinc/52/84/07/205528407.db2.gz ASJJCYCNKAMTHD-JTQLQIEISA-N 1 0 227.298 3.633 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CC)cs1 ZINC000162283423 388142310 /nfs/dbraw/zinc/14/23/10/388142310.db2.gz OURPFZSIVVZGIU-DCAQKATOSA-N 1 0 240.416 3.791 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)CC)cs1 ZINC000162283701 384767474 /nfs/dbraw/zinc/76/74/74/384767474.db2.gz OURPFZSIVVZGIU-AXFHLTTASA-N 1 0 240.416 3.791 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC000162287598 388141783 /nfs/dbraw/zinc/14/17/83/388141783.db2.gz FNSLKQRGVJKGPJ-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CC(C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000162298547 323604047 /nfs/dbraw/zinc/60/40/47/323604047.db2.gz DTOPJSKEKHPMRY-JTQLQIEISA-N 1 0 245.288 3.634 20 0 BHADRO CC(C)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000162298667 323604113 /nfs/dbraw/zinc/60/41/13/323604113.db2.gz DTOPJSKEKHPMRY-SNVBAGLBSA-N 1 0 245.288 3.634 20 0 BHADRO Cc1ccccc1[C@H](C)N[C@H](C)c1cscn1 ZINC000162306220 179339605 /nfs/dbraw/zinc/33/96/05/179339605.db2.gz COVKGTWZXZIINY-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000162312717 384603266 /nfs/dbraw/zinc/60/32/66/384603266.db2.gz JVMJPRIJQSXIQH-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000162312812 384602998 /nfs/dbraw/zinc/60/29/98/384602998.db2.gz JVMJPRIJQSXIQH-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000162312908 384603071 /nfs/dbraw/zinc/60/30/71/384603071.db2.gz JVMJPRIJQSXIQH-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cscn1 ZINC000162312999 384600947 /nfs/dbraw/zinc/60/09/47/384600947.db2.gz JVMJPRIJQSXIQH-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cs1 ZINC000162329892 388150195 /nfs/dbraw/zinc/15/01/95/388150195.db2.gz HDXIJCQZACETFV-WDEREUQCSA-N 1 0 240.416 3.791 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H](C)CC(C)C)cs1 ZINC000162330024 385811872 /nfs/dbraw/zinc/81/18/72/385811872.db2.gz HDXIJCQZACETFV-QWRGUYRKSA-N 1 0 240.416 3.791 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@H](C)CC(C)C)cs1 ZINC000162330148 385811640 /nfs/dbraw/zinc/81/16/40/385811640.db2.gz HDXIJCQZACETFV-GHMZBOCLSA-N 1 0 240.416 3.791 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H](C)CC(C)C)cs1 ZINC000162330286 388150551 /nfs/dbraw/zinc/15/05/51/388150551.db2.gz HDXIJCQZACETFV-MNOVXSKESA-N 1 0 240.416 3.791 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000162336541 169370767 /nfs/dbraw/zinc/37/07/67/169370767.db2.gz BNFAVFZQUQLCED-ZJUUUORDSA-N 1 0 226.389 3.545 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000162336645 169493769 /nfs/dbraw/zinc/49/37/69/169493769.db2.gz BNFAVFZQUQLCED-UWVGGRQHSA-N 1 0 226.389 3.545 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000162336753 169371792 /nfs/dbraw/zinc/37/17/92/169371792.db2.gz BNFAVFZQUQLCED-NXEZZACHSA-N 1 0 226.389 3.545 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000162336859 388153230 /nfs/dbraw/zinc/15/32/30/388153230.db2.gz BNFAVFZQUQLCED-VHSXEESVSA-N 1 0 226.389 3.545 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000162349975 384323453 /nfs/dbraw/zinc/32/34/53/384323453.db2.gz XTQGLICJBFHUGW-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+]C1CCC(C)(C)CC1 ZINC000162351620 388156085 /nfs/dbraw/zinc/15/60/85/388156085.db2.gz BSISCWLRJFFCNY-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+]C1CCC(C)(C)CC1 ZINC000162351750 388156301 /nfs/dbraw/zinc/15/63/01/388156301.db2.gz BSISCWLRJFFCNY-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccsc1 ZINC000162352973 388156325 /nfs/dbraw/zinc/15/63/25/388156325.db2.gz XCGZWXXLUVXEQF-ONGXEEELSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccsc1 ZINC000162353095 388156220 /nfs/dbraw/zinc/15/62/20/388156220.db2.gz XCGZWXXLUVXEQF-GXSJLCMTSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccsc1 ZINC000162353222 631288989 /nfs/dbraw/zinc/28/89/89/631288989.db2.gz XCGZWXXLUVXEQF-KOLCDFICSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccsc1 ZINC000162353361 385812027 /nfs/dbraw/zinc/81/20/27/385812027.db2.gz XCGZWXXLUVXEQF-MWLCHTKSSA-N 1 0 229.414 3.540 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](CC)CSC ZINC000162356668 388156011 /nfs/dbraw/zinc/15/60/11/388156011.db2.gz HTQZJZZQTCRTPG-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CCCC(CCC)[NH2+][C@H](CC)CSC ZINC000162356811 384367623 /nfs/dbraw/zinc/36/76/23/384367623.db2.gz HTQZJZZQTCRTPG-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+]C1CCCCCCC1 ZINC000162356933 637321762 /nfs/dbraw/zinc/32/17/62/637321762.db2.gz HNTYVUCLYZCCSC-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CC[C@H](CSC)[NH2+]C1CCCCCCC1 ZINC000162357071 634093408 /nfs/dbraw/zinc/09/34/08/634093408.db2.gz HNTYVUCLYZCCSC-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](CC)CSC ZINC000162357989 637322772 /nfs/dbraw/zinc/32/27/72/637322772.db2.gz OEZSBKUCAKQTJN-NEPJUHHUSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](CC)CSC ZINC000162358111 637322562 /nfs/dbraw/zinc/32/25/62/637322562.db2.gz OEZSBKUCAKQTJN-RYUDHWBXSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](CC)CSC ZINC000162358244 637322618 /nfs/dbraw/zinc/32/26/18/637322618.db2.gz OEZSBKUCAKQTJN-VXGBXAGGSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](CC)CSC ZINC000162358310 637322126 /nfs/dbraw/zinc/32/21/26/637322126.db2.gz OEZSBKUCAKQTJN-NWDGAFQWSA-N 1 0 217.422 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1sccc1C ZINC000162358448 201834842 /nfs/dbraw/zinc/83/48/42/201834842.db2.gz XDBICGRVFUVKQL-QWRGUYRKSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1sccc1C ZINC000162358605 388156777 /nfs/dbraw/zinc/15/67/77/388156777.db2.gz XDBICGRVFUVKQL-WDEREUQCSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1sccc1C ZINC000162358731 385812529 /nfs/dbraw/zinc/81/25/29/385812529.db2.gz XDBICGRVFUVKQL-MNOVXSKESA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1sccc1C ZINC000162358867 388156870 /nfs/dbraw/zinc/15/68/70/388156870.db2.gz XDBICGRVFUVKQL-GHMZBOCLSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)C1CCCCC1 ZINC000162361939 388158529 /nfs/dbraw/zinc/15/85/29/388158529.db2.gz SELXCURPCGFOJJ-AAEUAGOBSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)C1CCCCC1 ZINC000162362032 388158575 /nfs/dbraw/zinc/15/85/75/388158575.db2.gz SELXCURPCGFOJJ-WCQYABFASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)C1CCCCC1 ZINC000162362167 385813538 /nfs/dbraw/zinc/81/35/38/385813538.db2.gz SELXCURPCGFOJJ-YPMHNXCESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)C1CCCCC1 ZINC000162362299 388158149 /nfs/dbraw/zinc/15/81/49/388158149.db2.gz SELXCURPCGFOJJ-DGCLKSJQSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccs1 ZINC000162369554 388158173 /nfs/dbraw/zinc/15/81/73/388158173.db2.gz HMMRDHUAKKRUQE-UWVGGRQHSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccs1 ZINC000162369676 388158600 /nfs/dbraw/zinc/15/86/00/388158600.db2.gz HMMRDHUAKKRUQE-VHSXEESVSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccs1 ZINC000162369784 384419299 /nfs/dbraw/zinc/41/92/99/384419299.db2.gz HMMRDHUAKKRUQE-ZJUUUORDSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1cccs1 ZINC000162369948 388158602 /nfs/dbraw/zinc/15/86/02/388158602.db2.gz HMMRDHUAKKRUQE-NXEZZACHSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000162370654 201840385 /nfs/dbraw/zinc/84/03/85/201840385.db2.gz PIKGCEUNLLDSAR-QWRGUYRKSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000162370789 388158220 /nfs/dbraw/zinc/15/82/20/388158220.db2.gz PIKGCEUNLLDSAR-WDEREUQCSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(C)s1 ZINC000162370924 388158646 /nfs/dbraw/zinc/15/86/46/388158646.db2.gz PIKGCEUNLLDSAR-MNOVXSKESA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(C)s1 ZINC000162371059 201839164 /nfs/dbraw/zinc/83/91/64/201839164.db2.gz PIKGCEUNLLDSAR-GHMZBOCLSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000162374840 324139122 /nfs/dbraw/zinc/13/91/22/324139122.db2.gz DRPFTFJIOBCDAG-BFHYXJOUSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000162375052 324139192 /nfs/dbraw/zinc/13/91/92/324139192.db2.gz DRPFTFJIOBCDAG-MJBXVCDLSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)CCC(C)C ZINC000162376177 324139231 /nfs/dbraw/zinc/13/92/31/324139231.db2.gz PTISJEMCQFXXHB-RYUDHWBXSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)CCC(C)C ZINC000162376296 324139119 /nfs/dbraw/zinc/13/91/19/324139119.db2.gz PTISJEMCQFXXHB-NWDGAFQWSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)CCC(C)C ZINC000162376418 324139235 /nfs/dbraw/zinc/13/92/35/324139235.db2.gz PTISJEMCQFXXHB-NEPJUHHUSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)CCC(C)C ZINC000162376512 324139099 /nfs/dbraw/zinc/13/90/99/324139099.db2.gz PTISJEMCQFXXHB-VXGBXAGGSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000162378661 256781914 /nfs/dbraw/zinc/78/19/14/256781914.db2.gz HILKMURSBJYVPH-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000162378778 541457064 /nfs/dbraw/zinc/45/70/64/541457064.db2.gz HILKMURSBJYVPH-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000162378917 384443608 /nfs/dbraw/zinc/44/36/08/384443608.db2.gz HILKMURSBJYVPH-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000162379047 397951982 /nfs/dbraw/zinc/95/19/82/397951982.db2.gz HILKMURSBJYVPH-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H](CSC)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000162385580 388160266 /nfs/dbraw/zinc/16/02/66/388160266.db2.gz OJTAHMWRQJHYCS-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H](CSC)[NH2+]C1CCC(CC)CC1 ZINC000162389738 388160784 /nfs/dbraw/zinc/16/07/84/388160784.db2.gz XWYZMVYQSUSPOY-CPCZMJQVSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+]C1CCC(CC)CC1 ZINC000162389859 388160789 /nfs/dbraw/zinc/16/07/89/388160789.db2.gz XWYZMVYQSUSPOY-OTTFEQOBSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](CC)c1cccs1 ZINC000162393307 388162040 /nfs/dbraw/zinc/16/20/40/388162040.db2.gz MISZAZUUPIPXTM-QWRGUYRKSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](CC)c1cccs1 ZINC000162393431 388161949 /nfs/dbraw/zinc/16/19/49/388161949.db2.gz MISZAZUUPIPXTM-MNOVXSKESA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)CSC)c1cccs1 ZINC000162393558 388161550 /nfs/dbraw/zinc/16/15/50/388161550.db2.gz MISZAZUUPIPXTM-WDEREUQCSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](CC)c1cccs1 ZINC000162393670 388162022 /nfs/dbraw/zinc/16/20/22/388162022.db2.gz MISZAZUUPIPXTM-GHMZBOCLSA-N 1 0 243.441 3.930 20 0 BHADRO CCSCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000162405555 384607329 /nfs/dbraw/zinc/60/73/29/384607329.db2.gz LUBSJRQYDQDMAS-LLVKDONJSA-N 1 0 241.375 3.538 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@@H](CC)C2CC2)cs1 ZINC000162410963 397953898 /nfs/dbraw/zinc/95/38/98/397953898.db2.gz DNXXFZDJEULZAP-KOLCDFICSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H](CC)C2CC2)cs1 ZINC000162411096 398267164 /nfs/dbraw/zinc/26/71/64/398267164.db2.gz DNXXFZDJEULZAP-ONGXEEELSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@H](CC)C2CC2)cs1 ZINC000162411226 397953957 /nfs/dbraw/zinc/95/39/57/397953957.db2.gz DNXXFZDJEULZAP-MWLCHTKSSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H](CC)C2CC2)cs1 ZINC000162411349 397953581 /nfs/dbraw/zinc/95/35/81/397953581.db2.gz DNXXFZDJEULZAP-GXSJLCMTSA-N 1 0 238.400 3.545 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000162440884 388169551 /nfs/dbraw/zinc/16/95/51/388169551.db2.gz IDXHQQKEQQHUGW-JTQLQIEISA-N 1 0 243.441 3.769 20 0 BHADRO CCSCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000162440994 388169901 /nfs/dbraw/zinc/16/99/01/388169901.db2.gz IDXHQQKEQQHUGW-SNVBAGLBSA-N 1 0 243.441 3.769 20 0 BHADRO CCCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000162520693 388203937 /nfs/dbraw/zinc/20/39/37/388203937.db2.gz WWZLCEIKNIPJPW-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO CCCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000162520794 388203757 /nfs/dbraw/zinc/20/37/57/388203757.db2.gz WWZLCEIKNIPJPW-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CCSCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000162524102 371705078 /nfs/dbraw/zinc/70/50/78/371705078.db2.gz DNPMHNBDZXPGLE-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCC[NH2+][C@H](CC)C1CCCCC1 ZINC000162524211 371704503 /nfs/dbraw/zinc/70/45/03/371704503.db2.gz DNPMHNBDZXPGLE-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000162561838 634201053 /nfs/dbraw/zinc/20/10/53/634201053.db2.gz SNJINBNXDDTMBF-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000162561944 634199679 /nfs/dbraw/zinc/19/96/79/634199679.db2.gz SNJINBNXDDTMBF-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000162562061 634199881 /nfs/dbraw/zinc/19/98/81/634199881.db2.gz SNJINBNXDDTMBF-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000162562181 634200584 /nfs/dbraw/zinc/20/05/84/634200584.db2.gz SNJINBNXDDTMBF-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CCC1 ZINC000162595835 538923520 /nfs/dbraw/zinc/92/35/20/538923520.db2.gz YEANMAUDOJOYEP-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CCC1 ZINC000162595954 538923534 /nfs/dbraw/zinc/92/35/34/538923534.db2.gz YEANMAUDOJOYEP-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CCC1 ZINC000162596106 538923580 /nfs/dbraw/zinc/92/35/80/538923580.db2.gz YEANMAUDOJOYEP-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CCC1 ZINC000162596229 538923650 /nfs/dbraw/zinc/92/36/50/538923650.db2.gz YEANMAUDOJOYEP-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000162600600 201987038 /nfs/dbraw/zinc/98/70/38/201987038.db2.gz ZSMLMBMNLUMOKY-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000162600722 386091471 /nfs/dbraw/zinc/09/14/71/386091471.db2.gz ZSMLMBMNLUMOKY-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000162600840 388243160 /nfs/dbraw/zinc/24/31/60/388243160.db2.gz ZSMLMBMNLUMOKY-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000162600951 388243117 /nfs/dbraw/zinc/24/31/17/388243117.db2.gz ZSMLMBMNLUMOKY-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](C[NH2+]CCc1ccccc1)C(C)(C)C ZINC000162604918 538923740 /nfs/dbraw/zinc/92/37/40/538923740.db2.gz SPQNCHIUUBZMNI-ZDUSSCGKSA-N 1 0 219.372 3.501 20 0 BHADRO C[C@H](C[NH2+]CCc1ccccc1)C(C)(C)C ZINC000162605049 538923702 /nfs/dbraw/zinc/92/37/02/538923702.db2.gz SPQNCHIUUBZMNI-CYBMUJFWSA-N 1 0 219.372 3.501 20 0 BHADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000162628555 538924248 /nfs/dbraw/zinc/92/42/48/538924248.db2.gz XEDVFCBBCZMFPZ-OLZOCXBDSA-N 1 0 249.398 3.595 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cnccc1C ZINC000162628571 133521965 /nfs/dbraw/zinc/52/19/65/133521965.db2.gz FGPLNHIASWESKI-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000162628682 538924224 /nfs/dbraw/zinc/92/42/24/538924224.db2.gz XEDVFCBBCZMFPZ-CHWSQXEVSA-N 1 0 249.398 3.595 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cnccc1C ZINC000162628691 349776509 /nfs/dbraw/zinc/77/65/09/349776509.db2.gz FGPLNHIASWESKI-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000162628791 538924074 /nfs/dbraw/zinc/92/40/74/538924074.db2.gz XEDVFCBBCZMFPZ-STQMWFEESA-N 1 0 249.398 3.595 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cnccc1C ZINC000162628821 384655992 /nfs/dbraw/zinc/65/59/92/384655992.db2.gz FGPLNHIASWESKI-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)C(C)(C)C ZINC000162628917 538923990 /nfs/dbraw/zinc/92/39/90/538923990.db2.gz XEDVFCBBCZMFPZ-QWHCGFSZSA-N 1 0 249.398 3.595 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cnccc1C ZINC000162628945 349776811 /nfs/dbraw/zinc/77/68/11/349776811.db2.gz FGPLNHIASWESKI-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccncc1C[NH2+]C(CC(C)C)CC(C)C ZINC000162629868 202001840 /nfs/dbraw/zinc/00/18/40/202001840.db2.gz WQEKUJGECSXSDG-UHFFFAOYSA-N 1 0 248.414 3.940 20 0 BHADRO CC(C)(C)OCC[NH2+]C1CCCCCCC1 ZINC000162635212 634244190 /nfs/dbraw/zinc/24/41/90/634244190.db2.gz FLOFMTBJGLJBIV-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000162660817 349789059 /nfs/dbraw/zinc/78/90/59/349789059.db2.gz NFFFJRNMQVZEBJ-SWLSCSKDSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000162660926 349789257 /nfs/dbraw/zinc/78/92/57/349789257.db2.gz NFFFJRNMQVZEBJ-WFASDCNBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000162661043 349788829 /nfs/dbraw/zinc/78/88/29/349788829.db2.gz NFFFJRNMQVZEBJ-IUODEOHRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000162661168 349789102 /nfs/dbraw/zinc/78/91/02/349789102.db2.gz NFFFJRNMQVZEBJ-DOMZBBRYSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(O)c1)C(C)(C)C ZINC000162664008 490153311 /nfs/dbraw/zinc/15/33/11/490153311.db2.gz HMROQPJUIBOSTR-RYUDHWBXSA-N 1 0 235.371 3.725 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)C(C)(C)C ZINC000162664122 490153812 /nfs/dbraw/zinc/15/38/12/490153812.db2.gz HMROQPJUIBOSTR-NEPJUHHUSA-N 1 0 235.371 3.725 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccc(O)c1)C(C)(C)C ZINC000162664242 490153647 /nfs/dbraw/zinc/15/36/47/490153647.db2.gz HMROQPJUIBOSTR-NWDGAFQWSA-N 1 0 235.371 3.725 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(O)c1 ZINC000162664356 490153385 /nfs/dbraw/zinc/15/33/85/490153385.db2.gz HMROQPJUIBOSTR-VXGBXAGGSA-N 1 0 235.371 3.725 20 0 BHADRO CCSCC[C@H](C)[NH2+]CC(CC)CC ZINC000162675465 202037208 /nfs/dbraw/zinc/03/72/08/202037208.db2.gz SBUAAHLUKKLVNZ-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CCSCC[C@@H](C)[NH2+]CC(CC)CC ZINC000162675595 398081885 /nfs/dbraw/zinc/08/18/85/398081885.db2.gz SBUAAHLUKKLVNZ-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162676246 538924285 /nfs/dbraw/zinc/92/42/85/538924285.db2.gz HVCBLNORKMGVEV-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162676385 538924279 /nfs/dbraw/zinc/92/42/79/538924279.db2.gz HVCBLNORKMGVEV-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(Cl)ccc1F ZINC000162676841 202038114 /nfs/dbraw/zinc/03/81/14/202038114.db2.gz BUFRVNRSIDMCIY-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCc2occc21)C(C)(C)C ZINC000162680085 634275124 /nfs/dbraw/zinc/27/51/24/634275124.db2.gz SPMBEZNQOVFKSF-WCQYABFASA-N 1 0 235.371 3.929 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCc2occc21)C(C)(C)C ZINC000162680192 634274736 /nfs/dbraw/zinc/27/47/36/634274736.db2.gz SPMBEZNQOVFKSF-DGCLKSJQSA-N 1 0 235.371 3.929 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCc2occc21)C(C)(C)C ZINC000162680307 634274029 /nfs/dbraw/zinc/27/40/29/634274029.db2.gz SPMBEZNQOVFKSF-AAEUAGOBSA-N 1 0 235.371 3.929 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCc2occc21)C(C)(C)C ZINC000162680417 634274592 /nfs/dbraw/zinc/27/45/92/634274592.db2.gz SPMBEZNQOVFKSF-YPMHNXCESA-N 1 0 235.371 3.929 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000162686155 385288317 /nfs/dbraw/zinc/28/83/17/385288317.db2.gz MEIXNIDFEFZBIB-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000162686743 538111915 /nfs/dbraw/zinc/11/19/15/538111915.db2.gz LGTDKNNLKXPGFD-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000162686877 538924411 /nfs/dbraw/zinc/92/44/11/538924411.db2.gz LGTDKNNLKXPGFD-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2O)C(C)(C)C ZINC000162689936 538111837 /nfs/dbraw/zinc/11/18/37/538111837.db2.gz VBCPKMSASWUPMG-SMDDNHRTSA-N 1 0 247.382 3.651 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2O)C(C)(C)C ZINC000162690072 538924391 /nfs/dbraw/zinc/92/43/91/538924391.db2.gz VBCPKMSASWUPMG-BXUZGUMPSA-N 1 0 247.382 3.651 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2O)C(C)(C)C ZINC000162690195 538924467 /nfs/dbraw/zinc/92/44/67/538924467.db2.gz VBCPKMSASWUPMG-FZMZJTMJSA-N 1 0 247.382 3.651 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000162690235 387506983 /nfs/dbraw/zinc/50/69/83/387506983.db2.gz FFQLURVTIRWYJZ-CYBMUJFWSA-N 1 0 247.363 3.987 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2O)C(C)(C)C ZINC000162690315 538924413 /nfs/dbraw/zinc/92/44/13/538924413.db2.gz VBCPKMSASWUPMG-RISCZKNCSA-N 1 0 247.382 3.651 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)o1 ZINC000162690368 387506540 /nfs/dbraw/zinc/50/65/40/387506540.db2.gz FFQLURVTIRWYJZ-ZDUSSCGKSA-N 1 0 247.363 3.987 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162690374 202041989 /nfs/dbraw/zinc/04/19/89/202041989.db2.gz WOEIGAFXEVMUPO-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CC1([NH2+]Cc2cc(Cl)ccc2F)CCCC1 ZINC000162691267 202041444 /nfs/dbraw/zinc/04/14/44/202041444.db2.gz ROHDFXAYFICMCL-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000162694709 202044208 /nfs/dbraw/zinc/04/42/08/202044208.db2.gz VFATZNQDJBCYAQ-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000162694833 202044677 /nfs/dbraw/zinc/04/46/77/202044677.db2.gz VFATZNQDJBCYAQ-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000162694942 202044244 /nfs/dbraw/zinc/04/42/44/202044244.db2.gz VFATZNQDJBCYAQ-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1ccncc1C[NH2+]C1CCC(C(C)C)CC1 ZINC000162694988 384668247 /nfs/dbraw/zinc/66/82/47/384668247.db2.gz NPGDWJQJBPSMKB-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000162695048 384667842 /nfs/dbraw/zinc/66/78/42/384667842.db2.gz VFATZNQDJBCYAQ-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1F ZINC000162698058 202044683 /nfs/dbraw/zinc/04/46/83/202044683.db2.gz OWHIKJZDMBTFCL-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1F ZINC000162698172 384666007 /nfs/dbraw/zinc/66/60/07/384666007.db2.gz OWHIKJZDMBTFCL-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)C(C)(C)C ZINC000162701505 634294646 /nfs/dbraw/zinc/29/46/46/634294646.db2.gz XHRHNNNFYXBGLX-GXTWGEPZSA-N 1 0 246.398 3.731 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)C(C)(C)C ZINC000162701620 633035993 /nfs/dbraw/zinc/03/59/93/633035993.db2.gz XHRHNNNFYXBGLX-TZMCWYRMSA-N 1 0 246.398 3.731 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)C(C)(C)C ZINC000162701745 633035279 /nfs/dbraw/zinc/03/52/79/633035279.db2.gz XHRHNNNFYXBGLX-JSGCOSHPSA-N 1 0 246.398 3.731 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCc2cccnc21)C(C)(C)C ZINC000162701855 633035980 /nfs/dbraw/zinc/03/59/80/633035980.db2.gz XHRHNNNFYXBGLX-OCCSQVGLSA-N 1 0 246.398 3.731 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000162702889 323638551 /nfs/dbraw/zinc/63/85/51/323638551.db2.gz VQUORDXCIXLBLF-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000162702897 387498274 /nfs/dbraw/zinc/49/82/74/387498274.db2.gz GQCFYGVCSZTLPI-CQSZACIVSA-N 1 0 241.419 3.894 20 0 BHADRO CC[C@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000162703030 387498961 /nfs/dbraw/zinc/49/89/61/387498961.db2.gz GQCFYGVCSZTLPI-AWEZNQCLSA-N 1 0 241.419 3.894 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+][C@H]1CC=CCC1 ZINC000162703110 384667651 /nfs/dbraw/zinc/66/76/51/384667651.db2.gz HBJUCNLUZCDKFW-LBPRGKRZSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000162703214 384666832 /nfs/dbraw/zinc/66/68/32/384666832.db2.gz HBJUCNLUZCDKFW-GFCCVEGCSA-N 1 0 239.721 3.677 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000162704258 384671205 /nfs/dbraw/zinc/67/12/05/384671205.db2.gz POYZULAKOWSDJL-GFCCVEGCSA-N 1 0 233.336 3.678 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000162704391 384671979 /nfs/dbraw/zinc/67/19/79/384671979.db2.gz POYZULAKOWSDJL-LBPRGKRZSA-N 1 0 233.336 3.678 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000162710688 202043970 /nfs/dbraw/zinc/04/39/70/202043970.db2.gz GZFSBJXYNVHXGT-PPYMECGQSA-N 1 0 229.367 3.868 20 0 BHADRO CCC1([NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC000162710747 384671067 /nfs/dbraw/zinc/67/10/67/384671067.db2.gz DENBCHIGPOPGRY-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000162710809 202044484 /nfs/dbraw/zinc/04/44/84/202044484.db2.gz GZFSBJXYNVHXGT-RZIFZGNASA-N 1 0 229.367 3.868 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000162711717 202045574 /nfs/dbraw/zinc/04/55/74/202045574.db2.gz LJUQURYRWSQPBC-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]CCC1CCC1 ZINC000162711820 633036883 /nfs/dbraw/zinc/03/68/83/633036883.db2.gz ICJUASWNOJAMPR-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000162711837 202045751 /nfs/dbraw/zinc/04/57/51/202045751.db2.gz LJUQURYRWSQPBC-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000162713520 359516198 /nfs/dbraw/zinc/51/61/98/359516198.db2.gz OIEXQJZMPDKGKB-NSHDSACASA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cnccc1C ZINC000162713556 350420849 /nfs/dbraw/zinc/42/08/49/350420849.db2.gz DVCQYDKLQCVQLT-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000162713638 323640457 /nfs/dbraw/zinc/64/04/57/323640457.db2.gz OIEXQJZMPDKGKB-LLVKDONJSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cnccc1C ZINC000162713684 350420740 /nfs/dbraw/zinc/42/07/40/350420740.db2.gz DVCQYDKLQCVQLT-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)C(C)(C)C ZINC000162714393 487620984 /nfs/dbraw/zinc/62/09/84/487620984.db2.gz STABWEXAKYZNCK-ZYHUDNBSSA-N 1 0 221.344 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2occc21)C(C)(C)C ZINC000162714651 487621146 /nfs/dbraw/zinc/62/11/46/487621146.db2.gz STABWEXAKYZNCK-PWSUYJOCSA-N 1 0 221.344 3.681 20 0 BHADRO Cc1cc(NCCSc2ccccc2)cc[nH+]1 ZINC000162718884 178161492 /nfs/dbraw/zinc/16/14/92/178161492.db2.gz BIDSYZCXTLQHGC-UHFFFAOYSA-N 1 0 244.363 3.594 20 0 BHADRO Cc1cc(NCC(C)(C)c2ccccc2)cc[nH+]1 ZINC000162719267 202046651 /nfs/dbraw/zinc/04/66/51/202046651.db2.gz XPIXENNGDSWQRR-UHFFFAOYSA-N 1 0 240.350 3.780 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000162719727 538924414 /nfs/dbraw/zinc/92/44/14/538924414.db2.gz AAQYXXJUAVWNHK-CQSZACIVSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000162719857 538924449 /nfs/dbraw/zinc/92/44/49/538924449.db2.gz AAQYXXJUAVWNHK-AWEZNQCLSA-N 1 0 247.382 3.672 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000162727531 350421921 /nfs/dbraw/zinc/42/19/21/350421921.db2.gz XYYMOQGPLIMFFO-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000162727646 536779984 /nfs/dbraw/zinc/77/99/84/536779984.db2.gz XYYMOQGPLIMFFO-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000162730679 350421896 /nfs/dbraw/zinc/42/18/96/350421896.db2.gz CLDAUMNKYAQHNL-ZDUSSCGKSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000162730792 350421942 /nfs/dbraw/zinc/42/19/42/350421942.db2.gz CLDAUMNKYAQHNL-CYBMUJFWSA-N 1 0 242.366 3.836 20 0 BHADRO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162742466 386276959 /nfs/dbraw/zinc/27/69/59/386276959.db2.gz GYHYVQWRUKRESL-CYBMUJFWSA-N 1 0 226.323 3.872 20 0 BHADRO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162742563 386276929 /nfs/dbraw/zinc/27/69/29/386276929.db2.gz GYHYVQWRUKRESL-ZDUSSCGKSA-N 1 0 226.323 3.872 20 0 BHADRO CC[C@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000162756347 350416036 /nfs/dbraw/zinc/41/60/36/350416036.db2.gz JBOOGJWCIOLOCF-HNNXBMFYSA-N 1 0 226.323 3.953 20 0 BHADRO CC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000162756482 133533050 /nfs/dbraw/zinc/53/30/50/133533050.db2.gz JBOOGJWCIOLOCF-OAHLLOKOSA-N 1 0 226.323 3.953 20 0 BHADRO Cc1cc(N[C@@H]2CCCc3sccc32)cc[nH+]1 ZINC000162763840 386295340 /nfs/dbraw/zinc/29/53/40/386295340.db2.gz MDFXVGFISORPTD-CYBMUJFWSA-N 1 0 244.363 3.941 20 0 BHADRO Cc1cc(N[C@H]2CCCc3sccc32)cc[nH+]1 ZINC000162763927 178190387 /nfs/dbraw/zinc/19/03/87/178190387.db2.gz MDFXVGFISORPTD-ZDUSSCGKSA-N 1 0 244.363 3.941 20 0 BHADRO Cc1cc(NCC[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000162766392 384929987 /nfs/dbraw/zinc/92/99/87/384929987.db2.gz XNNRFYANZOALSP-CYBMUJFWSA-N 1 0 240.350 3.996 20 0 BHADRO Cc1cc(NCC[C@H](C)c2ccccc2)cc[nH+]1 ZINC000162766515 202059011 /nfs/dbraw/zinc/05/90/11/202059011.db2.gz XNNRFYANZOALSP-ZDUSSCGKSA-N 1 0 240.350 3.996 20 0 BHADRO COCc1ccccc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000162769915 538924699 /nfs/dbraw/zinc/92/46/99/538924699.db2.gz ZFFGOPPOHKIMTR-ZDUSSCGKSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1ccccc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000162770036 538924720 /nfs/dbraw/zinc/92/47/20/538924720.db2.gz ZFFGOPPOHKIMTR-CYBMUJFWSA-N 1 0 249.398 3.605 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCc2cc(N)ccc21)C(C)(C)C ZINC000162771780 487635100 /nfs/dbraw/zinc/63/51/00/487635100.db2.gz IRRIDVWQMVXVDY-XHDPSFHLSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCc2cc(N)ccc21)C(C)(C)C ZINC000162771904 487635465 /nfs/dbraw/zinc/63/54/65/487635465.db2.gz IRRIDVWQMVXVDY-IAQYHMDHSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCc2cc(N)ccc21)C(C)(C)C ZINC000162772016 487635111 /nfs/dbraw/zinc/63/51/11/487635111.db2.gz IRRIDVWQMVXVDY-NHYWBVRUSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCc2cc(N)ccc21)C(C)(C)C ZINC000162772138 487635124 /nfs/dbraw/zinc/63/51/24/487635124.db2.gz IRRIDVWQMVXVDY-ABAIWWIYSA-N 1 0 246.398 3.528 20 0 BHADRO Cc1ccc(C[C@@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000162783451 178186261 /nfs/dbraw/zinc/18/62/61/178186261.db2.gz FNQIEDNJZQMVQH-LLVKDONJSA-N 1 0 246.379 3.803 20 0 BHADRO Cc1ccc(C[C@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000162783558 178178811 /nfs/dbraw/zinc/17/88/11/178178811.db2.gz FNQIEDNJZQMVQH-NSHDSACASA-N 1 0 246.379 3.803 20 0 BHADRO CCc1ccccc1CNc1cc[nH+]c(C)c1 ZINC000162786074 171884167 /nfs/dbraw/zinc/88/41/67/171884167.db2.gz KABROWMISDWMNU-UHFFFAOYSA-N 1 0 226.323 3.565 20 0 BHADRO COc1ccc([C@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162798524 175190267 /nfs/dbraw/zinc/19/02/67/175190267.db2.gz ZLXHVXYZWGRKCW-LBPRGKRZSA-N 1 0 242.322 3.572 20 0 BHADRO COc1ccc([C@@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162798635 175177650 /nfs/dbraw/zinc/17/76/50/175177650.db2.gz ZLXHVXYZWGRKCW-GFCCVEGCSA-N 1 0 242.322 3.572 20 0 BHADRO Cc1cc(NCC(C)(C)c2cccs2)cc[nH+]1 ZINC000162809407 178155912 /nfs/dbraw/zinc/15/59/12/178155912.db2.gz HMHPBTVLTKNQFF-UHFFFAOYSA-N 1 0 246.379 3.841 20 0 BHADRO C[C@@H](C[NH2+]CCc1cccs1)C(C)(C)C ZINC000162815913 538925250 /nfs/dbraw/zinc/92/52/50/538925250.db2.gz GBBGYSWSCFEUAL-NSHDSACASA-N 1 0 225.401 3.562 20 0 BHADRO C[C@H](C[NH2+]CCc1cccs1)C(C)(C)C ZINC000162816033 538925169 /nfs/dbraw/zinc/92/51/69/538925169.db2.gz GBBGYSWSCFEUAL-LLVKDONJSA-N 1 0 225.401 3.562 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000162817873 324112983 /nfs/dbraw/zinc/11/29/83/324112983.db2.gz LFFQHUNLRGWWRX-HOTGVXAUSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000162818001 324112972 /nfs/dbraw/zinc/11/29/72/324112972.db2.gz LFFQHUNLRGWWRX-CVEARBPZSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCCC2)cc1 ZINC000162818123 324113259 /nfs/dbraw/zinc/11/32/59/324113259.db2.gz LFFQHUNLRGWWRX-JKSUJKDBSA-N 1 0 229.367 3.855 20 0 BHADRO c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCCC2)cc1 ZINC000162818249 324113087 /nfs/dbraw/zinc/11/30/87/324113087.db2.gz LFFQHUNLRGWWRX-HZPDHXFCSA-N 1 0 229.367 3.855 20 0 BHADRO CC[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000162818826 202074087 /nfs/dbraw/zinc/07/40/87/202074087.db2.gz AGPLKVRGJCRFDV-NSHDSACASA-N 1 0 205.345 3.655 20 0 BHADRO CC[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000162818945 202073384 /nfs/dbraw/zinc/07/33/84/202073384.db2.gz AGPLKVRGJCRFDV-LLVKDONJSA-N 1 0 205.345 3.655 20 0 BHADRO CC1([NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC000162819500 387919536 /nfs/dbraw/zinc/91/95/36/387919536.db2.gz RSISCRIHKSADBP-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc21)C(C)(C)C ZINC000162821159 538925241 /nfs/dbraw/zinc/92/52/41/538925241.db2.gz SOSMJQPCUCENRS-JSGCOSHPSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1Cc2ccccc21)C(C)(C)C ZINC000162821280 538925052 /nfs/dbraw/zinc/92/50/52/538925052.db2.gz SOSMJQPCUCENRS-OCCSQVGLSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1Cc2ccccc21)C(C)(C)C ZINC000162821394 538925191 /nfs/dbraw/zinc/92/51/91/538925191.db2.gz SOSMJQPCUCENRS-GXTWGEPZSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1Cc2ccccc21)C(C)(C)C ZINC000162821514 538925047 /nfs/dbraw/zinc/92/50/47/538925047.db2.gz SOSMJQPCUCENRS-TZMCWYRMSA-N 1 0 231.383 3.598 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000162822158 202074627 /nfs/dbraw/zinc/07/46/27/202074627.db2.gz DMHIHUJIALPYJH-NWANDNLSSA-N 1 0 217.356 3.711 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000162822395 200845190 /nfs/dbraw/zinc/84/51/90/200845190.db2.gz DMHIHUJIALPYJH-CFVMTHIKSA-N 1 0 217.356 3.711 20 0 BHADRO Cc1cc(NC[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000162829203 202075070 /nfs/dbraw/zinc/07/50/70/202075070.db2.gz WSSFZLYENKHHRB-GFCCVEGCSA-N 1 0 226.323 3.606 20 0 BHADRO Cc1cc(NC[C@H](C)c2ccccc2)cc[nH+]1 ZINC000162829318 202075352 /nfs/dbraw/zinc/07/53/52/202075352.db2.gz WSSFZLYENKHHRB-LBPRGKRZSA-N 1 0 226.323 3.606 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162829846 202075127 /nfs/dbraw/zinc/07/51/27/202075127.db2.gz PTRIEKOGRBFBSC-CYBMUJFWSA-N 1 0 227.298 3.633 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162829970 202075393 /nfs/dbraw/zinc/07/53/93/202075393.db2.gz PTRIEKOGRBFBSC-ZDUSSCGKSA-N 1 0 227.298 3.633 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162830680 202076090 /nfs/dbraw/zinc/07/60/90/202076090.db2.gz UQJFYBBLJLOPBX-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO C[C@@H](C[NH2+]CCCC(F)(F)F)C(C)(C)C ZINC000162834659 538457030 /nfs/dbraw/zinc/45/70/30/538457030.db2.gz GXWUGTMYUVCASQ-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO C[C@H](C[NH2+]CCCC(F)(F)F)C(C)(C)C ZINC000162834798 538457033 /nfs/dbraw/zinc/45/70/33/538457033.db2.gz GXWUGTMYUVCASQ-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C1CCC1 ZINC000162839582 538925315 /nfs/dbraw/zinc/92/53/15/538925315.db2.gz NTLJZSJRKGWASG-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C1CCC1 ZINC000162839665 538925171 /nfs/dbraw/zinc/92/51/71/538925171.db2.gz NTLJZSJRKGWASG-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO COc1ccc(CC[NH2+]C[C@H](C)C(C)(C)C)cc1 ZINC000162840207 538925294 /nfs/dbraw/zinc/92/52/94/538925294.db2.gz ZNUWNFRQXAQDOI-ZDUSSCGKSA-N 1 0 249.398 3.510 20 0 BHADRO COc1ccc(CC[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000162840318 538925216 /nfs/dbraw/zinc/92/52/16/538925216.db2.gz ZNUWNFRQXAQDOI-CYBMUJFWSA-N 1 0 249.398 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCOCC1CC1 ZINC000162862535 324128476 /nfs/dbraw/zinc/12/84/76/324128476.db2.gz MYIWKBJASIRVBV-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCOCC1CC1 ZINC000162862661 324128521 /nfs/dbraw/zinc/12/85/21/324128521.db2.gz MYIWKBJASIRVBV-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO C[C@@H](C[NH2+]CCc1ccsc1)C(C)(C)C ZINC000162886071 538457197 /nfs/dbraw/zinc/45/71/97/538457197.db2.gz QXRPYQVVDMOITE-NSHDSACASA-N 1 0 225.401 3.562 20 0 BHADRO C[C@H](C[NH2+]CCc1ccsc1)C(C)(C)C ZINC000162886218 538925639 /nfs/dbraw/zinc/92/56/39/538925639.db2.gz QXRPYQVVDMOITE-LLVKDONJSA-N 1 0 225.401 3.562 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC=CCC1 ZINC000162910211 202096642 /nfs/dbraw/zinc/09/66/42/202096642.db2.gz GUXGWTCNJUXRPT-KBPBESRZSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC=CCC1 ZINC000162910335 202096600 /nfs/dbraw/zinc/09/66/00/202096600.db2.gz GUXGWTCNJUXRPT-KGLIPLIRSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC=CCC1 ZINC000162910454 202096412 /nfs/dbraw/zinc/09/64/12/202096412.db2.gz GUXGWTCNJUXRPT-UONOGXRCSA-N 1 0 247.357 3.703 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC=CCC1 ZINC000162910573 202096934 /nfs/dbraw/zinc/09/69/34/202096934.db2.gz GUXGWTCNJUXRPT-ZIAGYGMSSA-N 1 0 247.357 3.703 20 0 BHADRO Cc1nc(C[NH2+]C[C@@H](C)C(C)(C)C)sc1C ZINC000162912475 538925682 /nfs/dbraw/zinc/92/56/82/538925682.db2.gz FKIKKWSWXFSXJX-SECBINFHSA-N 1 0 240.416 3.532 20 0 BHADRO Cc1nc(C[NH2+]C[C@H](C)C(C)(C)C)sc1C ZINC000162912592 538925647 /nfs/dbraw/zinc/92/56/47/538925647.db2.gz FKIKKWSWXFSXJX-VIFPVBQESA-N 1 0 240.416 3.532 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C1CCCCC1 ZINC000162912789 202101122 /nfs/dbraw/zinc/10/11/22/202101122.db2.gz WPECBCDEDKOVEG-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C1CCCCC1 ZINC000162912898 202101514 /nfs/dbraw/zinc/10/15/14/202101514.db2.gz WPECBCDEDKOVEG-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1 ZINC000162914933 202101111 /nfs/dbraw/zinc/10/11/11/202101111.db2.gz OKSBSUMUFSBORW-ZDUSSCGKSA-N 1 0 243.325 3.547 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1 ZINC000162915024 201275653 /nfs/dbraw/zinc/27/56/53/201275653.db2.gz OKSBSUMUFSBORW-CYBMUJFWSA-N 1 0 243.325 3.547 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)cc1F ZINC000162952955 202119398 /nfs/dbraw/zinc/11/93/98/202119398.db2.gz NQAOKHATGZTDPZ-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2F)CCCC1 ZINC000162958386 202118438 /nfs/dbraw/zinc/11/84/38/202118438.db2.gz INTKQUBXJXBIBP-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000162967467 202120592 /nfs/dbraw/zinc/12/05/92/202120592.db2.gz ANKCHFHKWCSTAC-LBPRGKRZSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000162967594 202120194 /nfs/dbraw/zinc/12/01/94/202120194.db2.gz ANKCHFHKWCSTAC-GFCCVEGCSA-N 1 0 239.721 3.677 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000162978311 538926141 /nfs/dbraw/zinc/92/61/41/538926141.db2.gz SRRWRYJCKAXEDJ-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000162978419 538926015 /nfs/dbraw/zinc/92/60/15/538926015.db2.gz SRRWRYJCKAXEDJ-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]CCC1CCC1 ZINC000162979597 633045389 /nfs/dbraw/zinc/04/53/89/633045389.db2.gz OJDZSNKITXFJBN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1cc(-c2ccc(C[NH2+]C(C)C)cc2)ccn1 ZINC000162980909 635278814 /nfs/dbraw/zinc/27/88/14/635278814.db2.gz WJJLVCLCWOHMFT-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC000162981500 343206008 /nfs/dbraw/zinc/20/60/08/343206008.db2.gz GEZICWIHWYUHRY-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC000162982437 202130057 /nfs/dbraw/zinc/13/00/57/202130057.db2.gz MXUCGSXFPSEZLC-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]CCCC1CC1 ZINC000162985850 324191034 /nfs/dbraw/zinc/19/10/34/324191034.db2.gz CRCXGFYOTJUJNH-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000162986575 202129765 /nfs/dbraw/zinc/12/97/65/202129765.db2.gz KPAKVUVFKJKATM-SKDRFNHKSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000162986685 202129086 /nfs/dbraw/zinc/12/90/86/202129086.db2.gz KPAKVUVFKJKATM-CABZTGNLSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000162986790 202129047 /nfs/dbraw/zinc/12/90/47/202129047.db2.gz KPAKVUVFKJKATM-BXKDBHETSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000162986905 202129950 /nfs/dbraw/zinc/12/99/50/202129950.db2.gz KPAKVUVFKJKATM-JOYOIKCWSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(-c2cccc(C[NH2+]C(C)C)c2)ccn1 ZINC000162987765 635290660 /nfs/dbraw/zinc/29/06/60/635290660.db2.gz WJNOJGVEFLORIQ-UHFFFAOYSA-N 1 0 240.350 3.555 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000163087244 325768401 /nfs/dbraw/zinc/76/84/01/325768401.db2.gz SYDDMSKKDVMAGC-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000163087366 325767979 /nfs/dbraw/zinc/76/79/79/325767979.db2.gz SYDDMSKKDVMAGC-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000163087481 388858035 /nfs/dbraw/zinc/85/80/35/388858035.db2.gz SYDDMSKKDVMAGC-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000163087592 325767922 /nfs/dbraw/zinc/76/79/22/325767922.db2.gz SYDDMSKKDVMAGC-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1F ZINC000163167077 350509081 /nfs/dbraw/zinc/50/90/81/350509081.db2.gz LKFSEWSWIYCFTL-MJVIPROJSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1F ZINC000163167206 487693144 /nfs/dbraw/zinc/69/31/44/487693144.db2.gz LKFSEWSWIYCFTL-COPLHBTASA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1F ZINC000163167333 350508819 /nfs/dbraw/zinc/50/88/19/350508819.db2.gz LKFSEWSWIYCFTL-WDMOLILDSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1F ZINC000163167449 487693714 /nfs/dbraw/zinc/69/37/14/487693714.db2.gz LKFSEWSWIYCFTL-MISXGVKJSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccccc1F ZINC000163171424 202238847 /nfs/dbraw/zinc/23/88/47/202238847.db2.gz STUYWYIVPHYXDC-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccccc1F ZINC000163171536 202240414 /nfs/dbraw/zinc/24/04/14/202240414.db2.gz STUYWYIVPHYXDC-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1ccccc1F ZINC000163171639 202244483 /nfs/dbraw/zinc/24/44/83/202244483.db2.gz STUYWYIVPHYXDC-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccccc1F ZINC000163171733 202244734 /nfs/dbraw/zinc/24/47/34/202244734.db2.gz STUYWYIVPHYXDC-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1ccccc1F ZINC000163174863 538927105 /nfs/dbraw/zinc/92/71/05/538927105.db2.gz OXFRUDZYIBPIEK-AWEZNQCLSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1ccccc1F ZINC000163174977 538927193 /nfs/dbraw/zinc/92/71/93/538927193.db2.gz OXFRUDZYIBPIEK-CQSZACIVSA-N 1 0 219.303 3.585 20 0 BHADRO CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000163180499 386508959 /nfs/dbraw/zinc/50/89/59/386508959.db2.gz DSAFLXGLUACXPQ-QMMMGPOBSA-N 1 0 215.699 3.540 20 0 BHADRO CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000163180598 202247657 /nfs/dbraw/zinc/24/76/57/202247657.db2.gz DSAFLXGLUACXPQ-MRVPVSSYSA-N 1 0 215.699 3.540 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000163182182 202251538 /nfs/dbraw/zinc/25/15/38/202251538.db2.gz TVTIGIFWSFVQDL-NSHDSACASA-N 1 0 245.288 3.897 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000163182296 202251501 /nfs/dbraw/zinc/25/15/01/202251501.db2.gz TVTIGIFWSFVQDL-LLVKDONJSA-N 1 0 245.288 3.897 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccccc1F ZINC000163183219 350513013 /nfs/dbraw/zinc/51/30/13/350513013.db2.gz RVWYQQVFUKRVIO-MGULZYLOSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1F ZINC000163183342 350512334 /nfs/dbraw/zinc/51/23/34/350512334.db2.gz RVWYQQVFUKRVIO-QIMFLAQGSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccccc1F ZINC000163185103 202251753 /nfs/dbraw/zinc/25/17/53/202251753.db2.gz CZBLHFKCBNYBFQ-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccccc1F ZINC000163185230 202251507 /nfs/dbraw/zinc/25/15/07/202251507.db2.gz CZBLHFKCBNYBFQ-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccccc1F ZINC000163185367 202251215 /nfs/dbraw/zinc/25/12/15/202251215.db2.gz CZBLHFKCBNYBFQ-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccccc1F ZINC000163185497 202250794 /nfs/dbraw/zinc/25/07/94/202250794.db2.gz CZBLHFKCBNYBFQ-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163188475 386660176 /nfs/dbraw/zinc/66/01/76/386660176.db2.gz HQEFQZWDZCUBLE-JTQLQIEISA-N 1 0 219.353 3.960 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163188596 386512113 /nfs/dbraw/zinc/51/21/13/386512113.db2.gz HQEFQZWDZCUBLE-SNVBAGLBSA-N 1 0 219.353 3.960 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000163195314 326072458 /nfs/dbraw/zinc/07/24/58/326072458.db2.gz XZRHPCMTWYPBFR-AWEZNQCLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000163195428 326072419 /nfs/dbraw/zinc/07/24/19/326072419.db2.gz XZRHPCMTWYPBFR-CQSZACIVSA-N 1 0 241.419 3.510 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C(C1CC1)C1CC1 ZINC000163225604 202296400 /nfs/dbraw/zinc/29/64/00/202296400.db2.gz LFOLYYXVZIAVOR-VIFPVBQESA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C(C1CC1)C1CC1 ZINC000163225720 202297547 /nfs/dbraw/zinc/29/75/47/202297547.db2.gz LFOLYYXVZIAVOR-SECBINFHSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1cc2ccccc2s1 ZINC000163227700 176828615 /nfs/dbraw/zinc/82/86/15/176828615.db2.gz YFXZSXWYYIBPLC-VIFPVBQESA-N 1 0 217.337 3.714 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1cc2ccccc2s1 ZINC000163227815 175858429 /nfs/dbraw/zinc/85/84/29/175858429.db2.gz YFXZSXWYYIBPLC-SECBINFHSA-N 1 0 217.337 3.714 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCC(C)(C)C ZINC000163233771 202307876 /nfs/dbraw/zinc/30/78/76/202307876.db2.gz YHUALSAEWCGFPG-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163235959 202309554 /nfs/dbraw/zinc/30/95/54/202309554.db2.gz PWYORINGKSTHEK-ZYHUDNBSSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163236075 384776862 /nfs/dbraw/zinc/77/68/62/384776862.db2.gz PWYORINGKSTHEK-CMPLNLGQSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163236193 202311349 /nfs/dbraw/zinc/31/13/49/202311349.db2.gz PWYORINGKSTHEK-PWSUYJOCSA-N 1 0 223.335 3.658 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCC(C)(C)CO ZINC000163236229 326165992 /nfs/dbraw/zinc/16/59/92/326165992.db2.gz HLKFKBPQRNLQSM-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163236314 202310990 /nfs/dbraw/zinc/31/09/90/202310990.db2.gz PWYORINGKSTHEK-JQWIXIFHSA-N 1 0 223.335 3.658 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCC(C)(C)CO ZINC000163236340 326165903 /nfs/dbraw/zinc/16/59/03/326165903.db2.gz HLKFKBPQRNLQSM-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCC(C)(C)CO ZINC000163236446 326166441 /nfs/dbraw/zinc/16/64/41/326166441.db2.gz HLKFKBPQRNLQSM-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCC(C)(C)CO ZINC000163236544 326166576 /nfs/dbraw/zinc/16/65/76/326166576.db2.gz HLKFKBPQRNLQSM-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1(C)CCCC1 ZINC000163238276 202310851 /nfs/dbraw/zinc/31/08/51/202310851.db2.gz MZTHEYZOBIOTIH-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)ccc1C ZINC000163241508 202310604 /nfs/dbraw/zinc/31/06/04/202310604.db2.gz KCEHWOKBIKLLCA-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)C(C)C ZINC000163246172 202318379 /nfs/dbraw/zinc/31/83/79/202318379.db2.gz ZXXVCDYOLOHTRZ-GFCCVEGCSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@H](C)C(C)C ZINC000163246292 385599676 /nfs/dbraw/zinc/59/96/76/385599676.db2.gz ZXXVCDYOLOHTRZ-LBPRGKRZSA-N 1 0 223.335 3.516 20 0 BHADRO CCC1([NH2+]Cc2cc(F)ccc2C)CCC1 ZINC000163249361 202320032 /nfs/dbraw/zinc/32/00/32/202320032.db2.gz VNAMAVXWNCJRAH-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1ccco1 ZINC000163251008 134981127 /nfs/dbraw/zinc/98/11/27/134981127.db2.gz KAOUBJQMVRRYBA-JTQLQIEISA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1ccco1 ZINC000163251093 350511959 /nfs/dbraw/zinc/51/19/59/350511959.db2.gz KAOUBJQMVRRYBA-SNVBAGLBSA-N 1 0 249.276 3.533 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H](C)CC(C)C ZINC000163251618 385608759 /nfs/dbraw/zinc/60/87/59/385608759.db2.gz NPZSAJKAFQNRBV-LBPRGKRZSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H](C)CC(C)C ZINC000163251699 202327154 /nfs/dbraw/zinc/32/71/54/202327154.db2.gz NPZSAJKAFQNRBV-GFCCVEGCSA-N 1 0 223.335 3.658 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccco1 ZINC000163269367 487706637 /nfs/dbraw/zinc/70/66/37/487706637.db2.gz KNQQKPNNZKXQFS-NWANDNLSSA-N 1 0 241.334 3.734 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccco1 ZINC000163269466 487706451 /nfs/dbraw/zinc/70/64/51/487706451.db2.gz KNQQKPNNZKXQFS-BPLDGKMQSA-N 1 0 241.334 3.734 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)CC2 ZINC000163275463 538927452 /nfs/dbraw/zinc/92/74/52/538927452.db2.gz LZAIKRYEGPFZKZ-SGIREYDYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C)C1)CC2 ZINC000163275676 538927667 /nfs/dbraw/zinc/92/76/67/538927667.db2.gz LZAIKRYEGPFZKZ-HZUKXOBISA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CCC1)CC2 ZINC000163275928 538927462 /nfs/dbraw/zinc/92/74/62/538927462.db2.gz ZBURWCVBETYMSK-BLLLJJGKSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CCC1)CC2 ZINC000163276029 538927647 /nfs/dbraw/zinc/92/76/47/538927647.db2.gz ZBURWCVBETYMSK-LRDDRELGSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000163276146 538927372 /nfs/dbraw/zinc/92/73/72/538927372.db2.gz ZBURWCVBETYMSK-MLGOLLRUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000163276250 538927424 /nfs/dbraw/zinc/92/74/24/538927424.db2.gz ZBURWCVBETYMSK-WBMJQRKESA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C(C)(C)C ZINC000163284657 326343621 /nfs/dbraw/zinc/34/36/21/326343621.db2.gz URHROLACFORAKK-WDEREUQCSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)C(C)(C)C ZINC000163284765 326343648 /nfs/dbraw/zinc/34/36/48/326343648.db2.gz URHROLACFORAKK-GHMZBOCLSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C(C)(C)C ZINC000163294203 636399674 /nfs/dbraw/zinc/39/96/74/636399674.db2.gz GQISLACRWGPJTB-VHSXEESVSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cccnc1Cl ZINC000163294336 636399647 /nfs/dbraw/zinc/39/96/47/636399647.db2.gz GQISLACRWGPJTB-NXEZZACHSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)(C)C ZINC000163308850 633053113 /nfs/dbraw/zinc/05/31/13/633053113.db2.gz MRTZYXHPPPJDCX-VHSXEESVSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccnc(Cl)c1 ZINC000163308967 636419265 /nfs/dbraw/zinc/41/92/65/636419265.db2.gz MRTZYXHPPPJDCX-NXEZZACHSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)cn1 ZINC000163325513 388360762 /nfs/dbraw/zinc/36/07/62/388360762.db2.gz HFZCWPMTFVYZCR-VXGBXAGGSA-N 1 0 237.391 3.549 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(C)(C)C)cn1 ZINC000163325605 323035424 /nfs/dbraw/zinc/03/54/24/323035424.db2.gz HFZCWPMTFVYZCR-NWDGAFQWSA-N 1 0 237.391 3.549 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000163344354 388360550 /nfs/dbraw/zinc/36/05/50/388360550.db2.gz KTCCGQCRSLGKRO-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000163344475 323056064 /nfs/dbraw/zinc/05/60/64/323056064.db2.gz KTCCGQCRSLGKRO-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000163344851 323056831 /nfs/dbraw/zinc/05/68/31/323056831.db2.gz DQTLPHCMXTUKLT-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000163344960 388360473 /nfs/dbraw/zinc/36/04/73/388360473.db2.gz DQTLPHCMXTUKLT-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCCC1CC1 ZINC000163345094 326400656 /nfs/dbraw/zinc/40/06/56/326400656.db2.gz FKTONJNZUDKLFU-INIZCTEOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCCC1CC1 ZINC000163345218 388360426 /nfs/dbraw/zinc/36/04/26/388360426.db2.gz FKTONJNZUDKLFU-MRXNPFEDSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1ccc(OC)cc1 ZINC000163347054 323057345 /nfs/dbraw/zinc/05/73/45/323057345.db2.gz KVVOWUFKZFTEOU-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1ccc(OC)cc1 ZINC000163347164 323057338 /nfs/dbraw/zinc/05/73/38/323057338.db2.gz KVVOWUFKZFTEOU-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCCC1CC1)CC2 ZINC000163349495 326400597 /nfs/dbraw/zinc/40/05/97/326400597.db2.gz WKUVBKXZVUIIAQ-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCC1CC1)CC2 ZINC000163349601 326400650 /nfs/dbraw/zinc/40/06/50/326400650.db2.gz WKUVBKXZVUIIAQ-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CCCC2CC2)cc1 ZINC000163350712 388360504 /nfs/dbraw/zinc/36/05/04/388360504.db2.gz RHPHVJSIBBGYGM-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CCCC2CC2)cc1 ZINC000163350842 388360496 /nfs/dbraw/zinc/36/04/96/388360496.db2.gz RHPHVJSIBBGYGM-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+]CCCC1CC1)C2 ZINC000163351701 538927849 /nfs/dbraw/zinc/92/78/49/538927849.db2.gz SFZFGCFWKUIFNR-OAHLLOKOSA-N 1 0 249.785 3.587 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+]CCCC1CC1)C2 ZINC000163351814 538927878 /nfs/dbraw/zinc/92/78/78/538927878.db2.gz SFZFGCFWKUIFNR-HNNXBMFYSA-N 1 0 249.785 3.587 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC2CC2)cc1F ZINC000163351955 636579964 /nfs/dbraw/zinc/57/99/64/636579964.db2.gz QIGWNUWFQVQJJQ-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC2CC2)cc1F ZINC000163352067 636579374 /nfs/dbraw/zinc/57/93/74/636579374.db2.gz QIGWNUWFQVQJJQ-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1ccccc1OC ZINC000163355024 633053298 /nfs/dbraw/zinc/05/32/98/633053298.db2.gz SOZACYLNPDJKCC-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000163356214 388361293 /nfs/dbraw/zinc/36/12/93/388361293.db2.gz HYDXBVSOORNRHW-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCCC1CC1 ZINC000163356302 388360730 /nfs/dbraw/zinc/36/07/30/388360730.db2.gz HYDXBVSOORNRHW-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cc(F)cc(F)c1 ZINC000163356798 346557953 /nfs/dbraw/zinc/55/79/53/346557953.db2.gz CMFKRKQRGDPYNG-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cc(F)cc(F)c1 ZINC000163356909 346557966 /nfs/dbraw/zinc/55/79/66/346557966.db2.gz CMFKRKQRGDPYNG-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000163357034 326400568 /nfs/dbraw/zinc/40/05/68/326400568.db2.gz UUHGCBLITXWFPA-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000163357146 323067600 /nfs/dbraw/zinc/06/76/00/323067600.db2.gz UUHGCBLITXWFPA-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCCC2CC2)cc1 ZINC000163358271 388360403 /nfs/dbraw/zinc/36/04/03/388360403.db2.gz PZEHEYCTTJOBSA-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCCC2CC2)cc1 ZINC000163358392 388360718 /nfs/dbraw/zinc/36/07/18/388360718.db2.gz PZEHEYCTTJOBSA-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC1CC1 ZINC000163358748 326400673 /nfs/dbraw/zinc/40/06/73/326400673.db2.gz VBFWXMQOEQEDGY-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCC1CC1 ZINC000163358849 388361080 /nfs/dbraw/zinc/36/10/80/388361080.db2.gz VBFWXMQOEQEDGY-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000163361320 388264294 /nfs/dbraw/zinc/26/42/94/388264294.db2.gz XKAHSFOEEZEWBI-ZFWWWQNUSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000163361444 202405517 /nfs/dbraw/zinc/40/55/17/202405517.db2.gz XKAHSFOEEZEWBI-DZGCQCFKSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000163361509 388264199 /nfs/dbraw/zinc/26/41/99/388264199.db2.gz XKAHSFOEEZEWBI-HIFRSBDPSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000163361609 388264307 /nfs/dbraw/zinc/26/43/07/388264307.db2.gz XKAHSFOEEZEWBI-UKRRQHHQSA-N 1 0 231.314 3.511 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163366738 323073295 /nfs/dbraw/zinc/07/32/95/323073295.db2.gz JFPYWIOSCKSOQQ-CABCVRRESA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163366869 323073194 /nfs/dbraw/zinc/07/31/94/323073194.db2.gz JFPYWIOSCKSOQQ-GJZGRUSLSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000163366987 326400855 /nfs/dbraw/zinc/40/08/55/326400855.db2.gz JFPYWIOSCKSOQQ-HUUCEWRRSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000163367114 326400850 /nfs/dbraw/zinc/40/08/50/326400850.db2.gz JFPYWIOSCKSOQQ-LSDHHAIUSA-N 1 0 249.398 3.788 20 0 BHADRO CC1CC([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000163380879 134985070 /nfs/dbraw/zinc/98/50/70/134985070.db2.gz HUPMMTVBDMVTHQ-LDZOIKDWSA-N 1 0 229.367 3.842 20 0 BHADRO CC1CC([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000163381007 350520215 /nfs/dbraw/zinc/52/02/15/350520215.db2.gz HUPMMTVBDMVTHQ-PXCJXSSVSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccc(OC)cc1 ZINC000163383607 535893177 /nfs/dbraw/zinc/89/31/77/535893177.db2.gz QAJLFYJTYJDVDU-HGMXIMQMSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccc(OC)cc1 ZINC000163383718 350517267 /nfs/dbraw/zinc/51/72/67/350517267.db2.gz QAJLFYJTYJDVDU-ABIUDSBCSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc2c(c1)CCC2 ZINC000163383839 388276197 /nfs/dbraw/zinc/27/61/97/388276197.db2.gz WKVSUQRXYSKCEU-BGMSHATGSA-N 1 0 229.367 3.624 20 0 BHADRO CC[C@@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163383897 388362429 /nfs/dbraw/zinc/36/24/29/388362429.db2.gz GKTTTZIXMWRHFQ-KGLIPLIRSA-N 1 0 235.371 3.542 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc2c(c1)CCC2 ZINC000163383956 388276668 /nfs/dbraw/zinc/27/66/68/388276668.db2.gz WKVSUQRXYSKCEU-BWBHSNQOSA-N 1 0 229.367 3.624 20 0 BHADRO CC[C@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163384010 323002619 /nfs/dbraw/zinc/00/26/19/323002619.db2.gz GKTTTZIXMWRHFQ-KBPBESRZSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000163384109 388361764 /nfs/dbraw/zinc/36/17/64/388361764.db2.gz GKTTTZIXMWRHFQ-ZIAGYGMSSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000163384232 323002655 /nfs/dbraw/zinc/00/26/55/323002655.db2.gz GKTTTZIXMWRHFQ-UONOGXRCSA-N 1 0 235.371 3.542 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163387376 202429832 /nfs/dbraw/zinc/42/98/32/202429832.db2.gz NGIOUVANDPFCNB-OWYJLGKBSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163387501 202429673 /nfs/dbraw/zinc/42/96/73/202429673.db2.gz NGIOUVANDPFCNB-JVWICGRDSA-N 1 0 247.382 3.923 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cnc2ccsc2c1 ZINC000163387891 168147050 /nfs/dbraw/zinc/14/70/50/168147050.db2.gz XREXLLIHUKYSLE-YZRBJQDESA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cnc2ccsc2c1 ZINC000163388008 168148460 /nfs/dbraw/zinc/14/84/60/168148460.db2.gz XREXLLIHUKYSLE-SQLBVSGCSA-N 1 0 246.379 3.745 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163388835 388276470 /nfs/dbraw/zinc/27/64/70/388276470.db2.gz CFFWNPUSYCZDIJ-MBHSVXNSSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163388961 385837443 /nfs/dbraw/zinc/83/74/43/385837443.db2.gz CFFWNPUSYCZDIJ-LXVYMNJGSA-N 1 0 233.355 3.534 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163390919 388276411 /nfs/dbraw/zinc/27/64/11/388276411.db2.gz DMQSTHZGJDARSZ-JVWICGRDSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000163391008 202430315 /nfs/dbraw/zinc/43/03/15/202430315.db2.gz DMQSTHZGJDARSZ-OWYJLGKBSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cc2ccccc2o1 ZINC000163391151 388276877 /nfs/dbraw/zinc/27/68/77/388276877.db2.gz RNYAXGOBEKGZMC-AKJDGMEZSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cc2ccccc2o1 ZINC000163391269 388276209 /nfs/dbraw/zinc/27/62/09/388276209.db2.gz RNYAXGOBEKGZMC-QWKFWESOSA-N 1 0 229.323 3.882 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000163391713 388278436 /nfs/dbraw/zinc/27/84/36/388278436.db2.gz WKISZURJCJMJGN-NPCAHTBFSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000163391801 388278316 /nfs/dbraw/zinc/27/83/16/388278316.db2.gz WKISZURJCJMJGN-BBBYJDLNSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccccc1OC ZINC000163393730 350517870 /nfs/dbraw/zinc/51/78/70/350517870.db2.gz NLADUMFIRYQEKN-YIZWMMSDSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1OC ZINC000163393820 134984317 /nfs/dbraw/zinc/98/43/17/134984317.db2.gz NLADUMFIRYQEKN-ORHYLEIMSA-N 1 0 233.355 3.534 20 0 BHADRO CCCCC[N@H+](Cc1ccc(CO)cc1)C(C)C ZINC000163413299 388284313 /nfs/dbraw/zinc/28/43/13/388284313.db2.gz ZUVUMIUNZHOVAB-UHFFFAOYSA-N 1 0 249.398 3.580 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)o1 ZINC000163413435 350521219 /nfs/dbraw/zinc/52/12/19/350521219.db2.gz CBTKHCLEKTZPRQ-VIFPVBQESA-N 1 0 249.276 3.799 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)o1 ZINC000163413564 350520699 /nfs/dbraw/zinc/52/06/99/350520699.db2.gz CBTKHCLEKTZPRQ-SECBINFHSA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(C)C ZINC000163423558 350522335 /nfs/dbraw/zinc/52/23/35/350522335.db2.gz WTWAINYJRCJEFQ-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(C)C ZINC000163423674 350522160 /nfs/dbraw/zinc/52/21/60/350522160.db2.gz WTWAINYJRCJEFQ-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(C)C ZINC000163423779 350521695 /nfs/dbraw/zinc/52/16/95/350521695.db2.gz WTWAINYJRCJEFQ-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(C)C ZINC000163423897 350522011 /nfs/dbraw/zinc/52/20/11/350522011.db2.gz WTWAINYJRCJEFQ-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1C)CC2 ZINC000163429042 388288378 /nfs/dbraw/zinc/28/83/78/388288378.db2.gz CPSREOUYXMVSAX-APHBMKBZSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1C)CC2 ZINC000163429245 202456942 /nfs/dbraw/zinc/45/69/42/202456942.db2.gz CPSREOUYXMVSAX-VBNZEHGJSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000163441702 388291550 /nfs/dbraw/zinc/29/15/50/388291550.db2.gz RPVRRDRKNAINOT-GOEBONIOSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000163441818 388292021 /nfs/dbraw/zinc/29/20/21/388292021.db2.gz RPVRRDRKNAINOT-HOCLYGCPSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000163441939 388292251 /nfs/dbraw/zinc/29/22/51/388292251.db2.gz RPVRRDRKNAINOT-GDBMZVCRSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000163442031 388292077 /nfs/dbraw/zinc/29/20/77/388292077.db2.gz RPVRRDRKNAINOT-ZBFHGGJFSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCc3occc32)c(C)o1 ZINC000163493689 633058243 /nfs/dbraw/zinc/05/82/43/633058243.db2.gz ZDHIJIDZHUAHJP-AWEZNQCLSA-N 1 0 245.322 3.657 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C1CC1 ZINC000163494161 538928538 /nfs/dbraw/zinc/92/85/38/538928538.db2.gz OSARJDSRDBRGQH-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)C1CC1 ZINC000163494382 538928792 /nfs/dbraw/zinc/92/87/92/538928792.db2.gz OSARJDSRDBRGQH-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000163496348 538928568 /nfs/dbraw/zinc/92/85/68/538928568.db2.gz DDOVCDWXPHUJQW-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000163496467 538928401 /nfs/dbraw/zinc/92/84/01/538928401.db2.gz DDOVCDWXPHUJQW-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000163496836 385920466 /nfs/dbraw/zinc/92/04/66/385920466.db2.gz JJNABUMVHDBWTL-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC1CCC1 ZINC000163496907 636817886 /nfs/dbraw/zinc/81/78/86/636817886.db2.gz JZLUGRXRAHJYTN-INIZCTEOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000163496935 384816681 /nfs/dbraw/zinc/81/66/81/384816681.db2.gz JJNABUMVHDBWTL-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC1CCC1 ZINC000163497015 636819251 /nfs/dbraw/zinc/81/92/51/636819251.db2.gz JZLUGRXRAHJYTN-MRXNPFEDSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000163497033 387680567 /nfs/dbraw/zinc/68/05/67/387680567.db2.gz JJNABUMVHDBWTL-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000163497121 387681286 /nfs/dbraw/zinc/68/12/86/387681286.db2.gz JJNABUMVHDBWTL-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1ccc(OC)cc1 ZINC000163498299 538928497 /nfs/dbraw/zinc/92/84/97/538928497.db2.gz YDPPWQOFQXIKCX-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1ccc(OC)cc1 ZINC000163498395 538928423 /nfs/dbraw/zinc/92/84/23/538928423.db2.gz YDPPWQOFQXIKCX-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCSC ZINC000163498489 387682066 /nfs/dbraw/zinc/68/20/66/387682066.db2.gz XUPVHYUMFDCRRX-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCCSC ZINC000163498577 387681312 /nfs/dbraw/zinc/68/13/12/387681312.db2.gz XUPVHYUMFDCRRX-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCCSC ZINC000163498656 387680598 /nfs/dbraw/zinc/68/05/98/387680598.db2.gz XUPVHYUMFDCRRX-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCCSC ZINC000163498742 386529247 /nfs/dbraw/zinc/52/92/47/386529247.db2.gz XUPVHYUMFDCRRX-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1CCC1)CC2 ZINC000163499994 636820686 /nfs/dbraw/zinc/82/06/86/636820686.db2.gz XLGGOVGIEOFEFU-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CCC1)CC2 ZINC000163500069 636819857 /nfs/dbraw/zinc/81/98/57/636819857.db2.gz XLGGOVGIEOFEFU-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)SC ZINC000163500138 636818614 /nfs/dbraw/zinc/81/86/14/636818614.db2.gz UEXSRXPPPCKKAU-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)SC ZINC000163500238 636820155 /nfs/dbraw/zinc/82/01/55/636820155.db2.gz UEXSRXPPPCKKAU-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)SC ZINC000163500316 637378211 /nfs/dbraw/zinc/37/82/11/637378211.db2.gz UEXSRXPPPCKKAU-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)SC ZINC000163500417 637378181 /nfs/dbraw/zinc/37/81/81/637378181.db2.gz UEXSRXPPPCKKAU-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CCC2CCC2)cc1 ZINC000163500620 538928392 /nfs/dbraw/zinc/92/83/92/538928392.db2.gz QKQKNBCOQWWWHO-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CCC2CCC2)cc1 ZINC000163500693 538928658 /nfs/dbraw/zinc/92/86/58/538928658.db2.gz QKQKNBCOQWWWHO-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1ccccc1OC ZINC000163503498 633058063 /nfs/dbraw/zinc/05/80/63/633058063.db2.gz VIBANWFQRKDATP-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1ccccc1OC ZINC000163503607 633058256 /nfs/dbraw/zinc/05/82/56/633058256.db2.gz VIBANWFQRKDATP-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000163504472 538929132 /nfs/dbraw/zinc/92/91/32/538929132.db2.gz YCSMWKNIIBKWLL-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC1CCC1 ZINC000163504572 538929052 /nfs/dbraw/zinc/92/90/52/538929052.db2.gz YCSMWKNIIBKWLL-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cc(F)cc(F)c1 ZINC000163504755 635457566 /nfs/dbraw/zinc/45/75/66/635457566.db2.gz IZRKTKKUBKOSFJ-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cc(F)cc(F)c1 ZINC000163504864 636824290 /nfs/dbraw/zinc/82/42/90/636824290.db2.gz IZRKTKKUBKOSFJ-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000163504981 633058231 /nfs/dbraw/zinc/05/82/31/633058231.db2.gz DQWTYHORYDCOQB-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000163505088 636825917 /nfs/dbraw/zinc/82/59/17/636825917.db2.gz DQWTYHORYDCOQB-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1CCC1 ZINC000163505990 633058139 /nfs/dbraw/zinc/05/81/39/633058139.db2.gz IPZMWDFPIYINRH-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CCC1 ZINC000163506105 633058321 /nfs/dbraw/zinc/05/83/21/633058321.db2.gz IPZMWDFPIYINRH-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000163514890 388364001 /nfs/dbraw/zinc/36/40/01/388364001.db2.gz ZVHZHFBNDIZNSW-LSDHHAIUSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000163515014 326402839 /nfs/dbraw/zinc/40/28/39/326402839.db2.gz ZVHZHFBNDIZNSW-HUUCEWRRSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000163515115 326402826 /nfs/dbraw/zinc/40/28/26/326402826.db2.gz ZVHZHFBNDIZNSW-GJZGRUSLSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000163515233 323070655 /nfs/dbraw/zinc/07/06/55/323070655.db2.gz ZVHZHFBNDIZNSW-CABCVRRESA-N 1 0 233.330 3.591 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000163539368 202525825 /nfs/dbraw/zinc/52/58/25/202525825.db2.gz WQLWQDYYQFIORB-ZDUSSCGKSA-N 1 0 237.412 3.789 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000163574501 386541758 /nfs/dbraw/zinc/54/17/58/386541758.db2.gz SIJQMGLGVQCQJS-JMSVASOKSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000163574601 175563975 /nfs/dbraw/zinc/56/39/75/175563975.db2.gz SIJQMGLGVQCQJS-ZOWXZIJZSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000163574689 384828759 /nfs/dbraw/zinc/82/87/59/384828759.db2.gz SIJQMGLGVQCQJS-LALPHHSUSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000163574773 386542072 /nfs/dbraw/zinc/54/20/72/386542072.db2.gz SIJQMGLGVQCQJS-YWPYICTPSA-N 1 0 249.423 3.966 20 0 BHADRO C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CCC1 ZINC000163608317 538929480 /nfs/dbraw/zinc/92/94/80/538929480.db2.gz PQACYKXGHHFTIY-ZUZCIYMTSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CCC1 ZINC000163608424 538929609 /nfs/dbraw/zinc/92/96/09/538929609.db2.gz PQACYKXGHHFTIY-MEBBXXQBSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CCC1 ZINC000163608532 538929574 /nfs/dbraw/zinc/92/95/74/538929574.db2.gz PQACYKXGHHFTIY-BONVTDFDSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CCC1 ZINC000163608655 538929617 /nfs/dbraw/zinc/92/96/17/538929617.db2.gz PQACYKXGHHFTIY-BMIGLBTASA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCC1)c1ccncc1 ZINC000163609742 326403898 /nfs/dbraw/zinc/40/38/98/326403898.db2.gz ZCAJUXLFKSKQSY-HNNXBMFYSA-N 1 0 232.371 3.845 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCC1)c1ccncc1 ZINC000163609870 388365872 /nfs/dbraw/zinc/36/58/72/388365872.db2.gz ZCAJUXLFKSKQSY-OAHLLOKOSA-N 1 0 232.371 3.845 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000163610671 538929548 /nfs/dbraw/zinc/92/95/48/538929548.db2.gz KLGFZFMMWUEHDP-QWHCGFSZSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000163610787 538929800 /nfs/dbraw/zinc/92/98/00/538929800.db2.gz KLGFZFMMWUEHDP-STQMWFEESA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000163610882 538929511 /nfs/dbraw/zinc/92/95/11/538929511.db2.gz KLGFZFMMWUEHDP-CHWSQXEVSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000163610971 538929437 /nfs/dbraw/zinc/92/94/37/538929437.db2.gz KLGFZFMMWUEHDP-OLZOCXBDSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1ccc(C[NH2+]CCCC2CCCC2)o1 ZINC000163625704 135022158 /nfs/dbraw/zinc/02/21/58/135022158.db2.gz NSERBGFZGHDHKU-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO c1cc(C[NH2+]CCCC2CCCC2)cs1 ZINC000163626063 135022112 /nfs/dbraw/zinc/02/21/12/135022112.db2.gz SGHRQJQSLOLNPW-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO Clc1ccc(C[NH2+]CCCC2CCCC2)o1 ZINC000163626318 326404235 /nfs/dbraw/zinc/40/42/35/326404235.db2.gz JAPVHSRIYJCZIF-UHFFFAOYSA-N 1 0 241.762 3.993 20 0 BHADRO Cc1nc(C[NH2+]CCCC2CCCC2)cs1 ZINC000163626436 135022122 /nfs/dbraw/zinc/02/21/22/135022122.db2.gz AJLOHDKARAECTI-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000163630672 388365295 /nfs/dbraw/zinc/36/52/95/388365295.db2.gz DVKUPGHFEPKFBU-BZPMIXESSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000163630779 388365474 /nfs/dbraw/zinc/36/54/74/388365474.db2.gz DVKUPGHFEPKFBU-SCRDCRAPSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000163630909 326404147 /nfs/dbraw/zinc/40/41/47/326404147.db2.gz DVKUPGHFEPKFBU-DYEKYZERSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000163631025 326404247 /nfs/dbraw/zinc/40/42/47/326404247.db2.gz DVKUPGHFEPKFBU-OBJOEFQTSA-N 1 0 220.360 3.557 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000163631291 388365729 /nfs/dbraw/zinc/36/57/29/388365729.db2.gz SJFUUEOJYVGSGQ-NWDGAFQWSA-N 1 0 239.403 3.501 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000163631406 324133406 /nfs/dbraw/zinc/13/34/06/324133406.db2.gz SJFUUEOJYVGSGQ-VXGBXAGGSA-N 1 0 239.403 3.501 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000163631536 326403895 /nfs/dbraw/zinc/40/38/95/326403895.db2.gz SJFUUEOJYVGSGQ-RYUDHWBXSA-N 1 0 239.403 3.501 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000163631683 387813848 /nfs/dbraw/zinc/81/38/48/387813848.db2.gz SJFUUEOJYVGSGQ-NEPJUHHUSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1ncc(C[NH2+]CCCC2CCCC2)s1 ZINC000163633379 409822370 /nfs/dbraw/zinc/82/23/70/409822370.db2.gz UONMSRUGTMETOI-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CCC(CC)C[NH2+]CCc1ccc(Cl)s1 ZINC000163634594 387815784 /nfs/dbraw/zinc/81/57/84/387815784.db2.gz ABIPOIKPEZHRQE-UHFFFAOYSA-N 1 0 245.819 3.970 20 0 BHADRO Clc1ccc(CC[NH2+]C2CCCCC2)s1 ZINC000163635086 385794164 /nfs/dbraw/zinc/79/41/64/385794164.db2.gz LOSYUSIHTJRUSX-UHFFFAOYSA-N 1 0 243.803 3.866 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCC1 ZINC000163648311 387829960 /nfs/dbraw/zinc/82/99/60/387829960.db2.gz BJUZGYLXIYWROT-JTQLQIEISA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCC1 ZINC000163648411 387829509 /nfs/dbraw/zinc/82/95/09/387829509.db2.gz BJUZGYLXIYWROT-SNVBAGLBSA-N 1 0 239.309 3.902 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@@H](C)C(C)C ZINC000163650721 388365158 /nfs/dbraw/zinc/36/51/58/388365158.db2.gz CIOICEAAWUZBJG-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@H](C)C(C)C ZINC000163650807 388365669 /nfs/dbraw/zinc/36/56/69/388365669.db2.gz CIOICEAAWUZBJG-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccncc1 ZINC000163656862 384838796 /nfs/dbraw/zinc/83/87/96/384838796.db2.gz YKBXQHVRZGWSFP-BBRMVZONSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccncc1 ZINC000163656973 170908214 /nfs/dbraw/zinc/90/82/14/170908214.db2.gz YKBXQHVRZGWSFP-XJKSGUPXSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccncc1 ZINC000163657097 384839624 /nfs/dbraw/zinc/83/96/24/384839624.db2.gz YKBXQHVRZGWSFP-CJNGLKHVSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccncc1 ZINC000163657204 346570649 /nfs/dbraw/zinc/57/06/49/346570649.db2.gz YKBXQHVRZGWSFP-CZUORRHYSA-N 1 0 240.350 3.884 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccncc1 ZINC000163658059 171538206 /nfs/dbraw/zinc/53/82/06/171538206.db2.gz JGWIQACMBGGDOS-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccncc1 ZINC000163658154 346571185 /nfs/dbraw/zinc/57/11/85/346571185.db2.gz JGWIQACMBGGDOS-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccncc1 ZINC000163658241 384842138 /nfs/dbraw/zinc/84/21/38/384842138.db2.gz JGWIQACMBGGDOS-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccncc1 ZINC000163658323 346570641 /nfs/dbraw/zinc/57/06/41/346570641.db2.gz JGWIQACMBGGDOS-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163660426 170141004 /nfs/dbraw/zinc/14/10/04/170141004.db2.gz UIOIRLXJNOWSKB-VIFPVBQESA-N 1 0 205.326 3.572 20 0 BHADRO CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163660511 170159220 /nfs/dbraw/zinc/15/92/20/170159220.db2.gz UIOIRLXJNOWSKB-SECBINFHSA-N 1 0 205.326 3.572 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CC1CCSCC1 ZINC000163661439 387844020 /nfs/dbraw/zinc/84/40/20/387844020.db2.gz FJNSIMAJYDLGLE-UHFFFAOYSA-N 1 0 249.423 3.536 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163661510 387843286 /nfs/dbraw/zinc/84/32/86/387843286.db2.gz LBVZZYIUSNGESF-JTQLQIEISA-N 1 0 219.353 3.962 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163661641 202602333 /nfs/dbraw/zinc/60/23/33/202602333.db2.gz LBVZZYIUSNGESF-SNVBAGLBSA-N 1 0 219.353 3.962 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@@H](C)CC ZINC000163664461 326404433 /nfs/dbraw/zinc/40/44/33/326404433.db2.gz QQAOEUZJCUOTRE-ZDUSSCGKSA-N 1 0 235.371 3.501 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@H](C)CC ZINC000163664572 326404436 /nfs/dbraw/zinc/40/44/36/326404436.db2.gz QQAOEUZJCUOTRE-CYBMUJFWSA-N 1 0 235.371 3.501 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000163673173 387860572 /nfs/dbraw/zinc/86/05/72/387860572.db2.gz LAKAGKURKLMMII-WDBKCZKBSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000163673378 387859542 /nfs/dbraw/zinc/85/95/42/387859542.db2.gz LAKAGKURKLMMII-RIEGTJTDSA-N 1 0 233.330 3.522 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]2C)C2CC2)cc1 ZINC000163673606 202615295 /nfs/dbraw/zinc/61/52/95/202615295.db2.gz SARFGAPMYSUPMI-RCBQFDQVSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]2C)C2CC2)cc1 ZINC000163673851 387860103 /nfs/dbraw/zinc/86/01/03/387860103.db2.gz SARFGAPMYSUPMI-MAZHCROVSA-N 1 0 229.367 3.692 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000163673953 387859956 /nfs/dbraw/zinc/85/99/56/387859956.db2.gz QETLRLMFFQFSTQ-MNOVXSKESA-N 1 0 241.762 3.849 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000163674072 387859777 /nfs/dbraw/zinc/85/97/77/387859777.db2.gz QETLRLMFFQFSTQ-QWRGUYRKSA-N 1 0 241.762 3.849 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000163674199 387860755 /nfs/dbraw/zinc/86/07/55/387860755.db2.gz QETLRLMFFQFSTQ-GHMZBOCLSA-N 1 0 241.762 3.849 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000163674319 387859864 /nfs/dbraw/zinc/85/98/64/387859864.db2.gz QETLRLMFFQFSTQ-WDEREUQCSA-N 1 0 241.762 3.849 20 0 BHADRO CC(C)COCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000163677775 387862137 /nfs/dbraw/zinc/86/21/37/387862137.db2.gz LROUBHNYYFTPLA-MRXNPFEDSA-N 1 0 249.398 3.646 20 0 BHADRO CC(C)COCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000163677890 386110035 /nfs/dbraw/zinc/11/00/35/386110035.db2.gz LROUBHNYYFTPLA-INIZCTEOSA-N 1 0 249.398 3.646 20 0 BHADRO C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000163678348 538929957 /nfs/dbraw/zinc/92/99/57/538929957.db2.gz FBMJKKIXSIQNPN-MEDUHNTESA-N 1 0 247.357 3.913 20 0 BHADRO C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000163678486 538930123 /nfs/dbraw/zinc/93/01/23/538930123.db2.gz FBMJKKIXSIQNPN-BDJLRTHQSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000163678618 538930251 /nfs/dbraw/zinc/93/02/51/538930251.db2.gz FBMJKKIXSIQNPN-ZBEGNZNMSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000163678733 538930110 /nfs/dbraw/zinc/93/01/10/538930110.db2.gz FBMJKKIXSIQNPN-BZNIZROVSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000163679782 538930258 /nfs/dbraw/zinc/93/02/58/538930258.db2.gz JGCGKYPOBXAUHS-LRDDRELGSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000163679888 538929912 /nfs/dbraw/zinc/92/99/12/538929912.db2.gz JGCGKYPOBXAUHS-WBMJQRKESA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000163679962 538930307 /nfs/dbraw/zinc/93/03/07/538930307.db2.gz JGCGKYPOBXAUHS-BLLLJJGKSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000163680086 538929986 /nfs/dbraw/zinc/92/99/86/538929986.db2.gz JGCGKYPOBXAUHS-MLGOLLRUSA-N 1 0 229.367 3.773 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccncc1 ZINC000163686618 387875712 /nfs/dbraw/zinc/87/57/12/387875712.db2.gz QTBQPPOXTWUNCA-JSGCOSHPSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccncc1 ZINC000163686732 200732217 /nfs/dbraw/zinc/73/22/17/200732217.db2.gz QTBQPPOXTWUNCA-GXTWGEPZSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)C)c1ccncc1 ZINC000163686837 387877133 /nfs/dbraw/zinc/87/71/33/387877133.db2.gz QTBQPPOXTWUNCA-OCCSQVGLSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1ccncc1 ZINC000163686936 202625645 /nfs/dbraw/zinc/62/56/45/202625645.db2.gz QTBQPPOXTWUNCA-TZMCWYRMSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2CCSCC2)[C@@H]1C ZINC000163709745 387890003 /nfs/dbraw/zinc/89/00/03/387890003.db2.gz RHWNURKAYGOCLB-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCSCC2)[C@@H]1C ZINC000163709960 202634037 /nfs/dbraw/zinc/63/40/37/202634037.db2.gz RHWNURKAYGOCLB-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000163711858 202637656 /nfs/dbraw/zinc/63/76/56/202637656.db2.gz UPLJUCCXEBIWHZ-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000163711983 397987061 /nfs/dbraw/zinc/98/70/61/397987061.db2.gz UPLJUCCXEBIWHZ-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000163712867 640411714 /nfs/dbraw/zinc/41/17/14/640411714.db2.gz YUDAPLCANPQZMX-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000163712989 640411476 /nfs/dbraw/zinc/41/14/76/640411476.db2.gz YUDAPLCANPQZMX-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)(C)C)c1cccs1 ZINC000163716177 387899078 /nfs/dbraw/zinc/89/90/78/387899078.db2.gz UBFMEBPVYBYHJD-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1cccs1 ZINC000163716315 387898813 /nfs/dbraw/zinc/89/88/13/387898813.db2.gz UBFMEBPVYBYHJD-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000163716329 640408730 /nfs/dbraw/zinc/40/87/30/640408730.db2.gz JGHLDGJGYPTTLX-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000163716459 640407397 /nfs/dbraw/zinc/40/73/97/640407397.db2.gz JGHLDGJGYPTTLX-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000163717172 388366515 /nfs/dbraw/zinc/36/65/15/388366515.db2.gz WSECIBZLFWHVLE-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCOC(C)(C)C ZINC000163717275 388366960 /nfs/dbraw/zinc/36/69/60/388366960.db2.gz WSECIBZLFWHVLE-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)s1 ZINC000163718860 388366645 /nfs/dbraw/zinc/36/66/45/388366645.db2.gz DTLUINLMMWLTKA-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)s1 ZINC000163718974 388366374 /nfs/dbraw/zinc/36/63/74/388366374.db2.gz DTLUINLMMWLTKA-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000163720602 640409335 /nfs/dbraw/zinc/40/93/35/640409335.db2.gz JIBXIWLOBRPVBG-CYBMUJFWSA-N 1 0 229.408 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCOC(C)(C)C ZINC000163720727 640408594 /nfs/dbraw/zinc/40/85/94/640408594.db2.gz JIBXIWLOBRPVBG-ZDUSSCGKSA-N 1 0 229.408 3.750 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000163721959 387907838 /nfs/dbraw/zinc/90/78/38/387907838.db2.gz DQLGNZILJTVFQD-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCSC2)CC(C)(C)C1 ZINC000163725524 387909181 /nfs/dbraw/zinc/90/91/81/387909181.db2.gz RTKIVZJSSGZGFY-LLVKDONJSA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCSC2)CC(C)(C)C1 ZINC000163725624 387909059 /nfs/dbraw/zinc/90/90/59/387909059.db2.gz RTKIVZJSSGZGFY-NSHDSACASA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)([NH2+]Cc1cccs1)c1ccccc1 ZINC000163738542 191118657 /nfs/dbraw/zinc/11/86/57/191118657.db2.gz FQPFYKRXBLTDQQ-UHFFFAOYSA-N 1 0 231.364 3.773 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1)c1ccccc1 ZINC000163738835 188336483 /nfs/dbraw/zinc/33/64/83/188336483.db2.gz YKZXAMYEAODVEL-UHFFFAOYSA-N 1 0 231.364 3.773 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccncc1 ZINC000163739978 323077003 /nfs/dbraw/zinc/07/70/03/323077003.db2.gz KTNIEXMJQPRGNN-ZFWWWQNUSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccncc1 ZINC000163740106 322967024 /nfs/dbraw/zinc/96/70/24/322967024.db2.gz KTNIEXMJQPRGNN-DZGCQCFKSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccncc1 ZINC000163740231 388367886 /nfs/dbraw/zinc/36/78/86/388367886.db2.gz KTNIEXMJQPRGNN-HIFRSBDPSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccncc1 ZINC000163740365 388367899 /nfs/dbraw/zinc/36/78/99/388367899.db2.gz KTNIEXMJQPRGNN-UKRRQHHQSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000163741869 384856259 /nfs/dbraw/zinc/85/62/59/384856259.db2.gz QUYPDTFNMUOUFQ-AEGPPILISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000163742006 346575005 /nfs/dbraw/zinc/57/50/05/346575005.db2.gz QUYPDTFNMUOUFQ-NWANDNLSSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000163742120 171547330 /nfs/dbraw/zinc/54/73/30/171547330.db2.gz QUYPDTFNMUOUFQ-QEJZJMRPSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000163742248 346574798 /nfs/dbraw/zinc/57/47/98/346574798.db2.gz QUYPDTFNMUOUFQ-CFVMTHIKSA-N 1 0 232.371 3.701 20 0 BHADRO c1ccc([C@H]([NH2+]CCCC2CC2)C2CC2)cc1 ZINC000163745916 323032940 /nfs/dbraw/zinc/03/29/40/323032940.db2.gz ZRYLBSIFJOEWAZ-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO c1ccc([C@@H]([NH2+]CCCC2CC2)C2CC2)cc1 ZINC000163746037 388367647 /nfs/dbraw/zinc/36/76/47/388367647.db2.gz ZRYLBSIFJOEWAZ-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO CC1CC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000163747942 387935684 /nfs/dbraw/zinc/93/56/84/387935684.db2.gz FBVIUZIUCFATOA-LBRDCAJSSA-N 1 0 233.330 3.665 20 0 BHADRO CC1CC([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000163748060 387935404 /nfs/dbraw/zinc/93/54/04/387935404.db2.gz FBVIUZIUCFATOA-XWFMALBVSA-N 1 0 233.330 3.665 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC(C)C2)C2CC2)cc1 ZINC000163748191 387936095 /nfs/dbraw/zinc/93/60/95/387936095.db2.gz AKTUFBSZRXJVKC-MOQPWLNLSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC(C)C2)C2CC2)cc1 ZINC000163748319 387936121 /nfs/dbraw/zinc/93/61/21/387936121.db2.gz AKTUFBSZRXJVKC-VDSRIPIWSA-N 1 0 229.367 3.834 20 0 BHADRO c1ccc([C@H]([NH2+]CCC2CCC2)C2CC2)cc1 ZINC000163755806 538113440 /nfs/dbraw/zinc/11/34/40/538113440.db2.gz TVTGIOKDVDEEKJ-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO c1ccc([C@@H]([NH2+]CCC2CCC2)C2CC2)cc1 ZINC000163755922 538930106 /nfs/dbraw/zinc/93/01/06/538930106.db2.gz TVTGIOKDVDEEKJ-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC(C)C ZINC000163765375 202691171 /nfs/dbraw/zinc/69/11/71/202691171.db2.gz VDANDXHISYUUON-SDNWHVSQSA-N 1 0 217.356 3.726 20 0 BHADRO CCCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000163765882 387971610 /nfs/dbraw/zinc/97/16/10/387971610.db2.gz YJBOPLCFBVVFKT-WYMLVPIESA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccncc1 ZINC000163770223 388367656 /nfs/dbraw/zinc/36/76/56/388367656.db2.gz CRYJIIGFQCZOLR-CFVMTHIKSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccncc1 ZINC000163770375 388367496 /nfs/dbraw/zinc/36/74/96/388367496.db2.gz CRYJIIGFQCZOLR-QEJZJMRPSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000163780079 352143942 /nfs/dbraw/zinc/14/39/42/352143942.db2.gz QSFJSZIVSCHZHQ-KWCYVHTRSA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000163780296 352147335 /nfs/dbraw/zinc/14/73/35/352147335.db2.gz QSFJSZIVSCHZHQ-MRVWCRGKSA-N 1 0 233.355 3.825 20 0 BHADRO CC(C)(C)C[NH2+]CCCSc1ccccc1 ZINC000163781576 372054404 /nfs/dbraw/zinc/05/44/04/372054404.db2.gz QILPUCIILXJVJW-UHFFFAOYSA-N 1 0 237.412 3.805 20 0 BHADRO Cc1ccc(SCC[NH2+]CC(C)(C)C)cc1 ZINC000163783820 372054818 /nfs/dbraw/zinc/05/48/18/372054818.db2.gz WTWHXBOJGJEUEW-UHFFFAOYSA-N 1 0 237.412 3.723 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccncc1 ZINC000163784808 384859066 /nfs/dbraw/zinc/85/90/66/384859066.db2.gz RQTHHNWRAXFUPE-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccncc1 ZINC000163784906 346576675 /nfs/dbraw/zinc/57/66/75/346576675.db2.gz RQTHHNWRAXFUPE-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCC1)c1ccncc1 ZINC000163785029 384861317 /nfs/dbraw/zinc/86/13/17/384861317.db2.gz RQTHHNWRAXFUPE-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccncc1 ZINC000163785139 346576649 /nfs/dbraw/zinc/57/66/49/346576649.db2.gz RQTHHNWRAXFUPE-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO c1cc(C[NH2+]CCCC2CCCCC2)co1 ZINC000163790323 183350040 /nfs/dbraw/zinc/35/00/40/183350040.db2.gz ZYCLKSAYWLRNCA-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCCc2ccccc21 ZINC000163793894 136290348 /nfs/dbraw/zinc/29/03/48/136290348.db2.gz BKNBZRJGLCIACS-DZGCQCFKSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCCc2ccccc21 ZINC000163794005 136290461 /nfs/dbraw/zinc/29/04/61/136290461.db2.gz BKNBZRJGLCIACS-UKRRQHHQSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1CCCc2ccccc21 ZINC000163794117 135189074 /nfs/dbraw/zinc/18/90/74/135189074.db2.gz BKNBZRJGLCIACS-ZFWWWQNUSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCCc2ccccc21 ZINC000163794262 386005698 /nfs/dbraw/zinc/00/56/98/386005698.db2.gz BKNBZRJGLCIACS-HIFRSBDPSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccncc1 ZINC000163796230 384858999 /nfs/dbraw/zinc/85/89/99/384858999.db2.gz VHRKUBQRWQEKFZ-JSGCOSHPSA-N 1 0 244.338 3.785 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccncc1 ZINC000163796331 346577081 /nfs/dbraw/zinc/57/70/81/346577081.db2.gz VHRKUBQRWQEKFZ-GXTWGEPZSA-N 1 0 244.338 3.785 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccncc1 ZINC000163796434 384862885 /nfs/dbraw/zinc/86/28/85/384862885.db2.gz VHRKUBQRWQEKFZ-OCCSQVGLSA-N 1 0 244.338 3.785 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccncc1 ZINC000163796551 346577325 /nfs/dbraw/zinc/57/73/25/346577325.db2.gz VHRKUBQRWQEKFZ-TZMCWYRMSA-N 1 0 244.338 3.785 20 0 BHADRO c1cc(C[NH2+]CC2CCCCCCC2)co1 ZINC000163797918 640420987 /nfs/dbraw/zinc/42/09/87/640420987.db2.gz HSDJKSWWDFROSX-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000163801141 388367967 /nfs/dbraw/zinc/36/79/67/388367967.db2.gz QBCNNLFVABVVAI-VNQPRFMTSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000163801236 326405548 /nfs/dbraw/zinc/40/55/48/326405548.db2.gz QBCNNLFVABVVAI-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000163801339 384493645 /nfs/dbraw/zinc/49/36/45/384493645.db2.gz QBCNNLFVABVVAI-KBMXLJTQSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000163801450 388367294 /nfs/dbraw/zinc/36/72/94/388367294.db2.gz QBCNNLFVABVVAI-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](CSC)Nc1cc[nH+]c2ccccc12 ZINC000163804395 388043559 /nfs/dbraw/zinc/04/35/59/388043559.db2.gz WNURQMHDWKKMLG-NSHDSACASA-N 1 0 246.379 3.788 20 0 BHADRO CC[C@H](CSC)Nc1cc[nH+]c2ccccc12 ZINC000163804530 388043695 /nfs/dbraw/zinc/04/36/95/388043695.db2.gz WNURQMHDWKKMLG-LLVKDONJSA-N 1 0 246.379 3.788 20 0 BHADRO CC[C@@H](C[NH2+]CC(C)(C)C)c1ccccc1 ZINC000163809719 398325332 /nfs/dbraw/zinc/32/53/32/398325332.db2.gz XDEXUVHMFSVSKY-ZDUSSCGKSA-N 1 0 219.372 3.816 20 0 BHADRO CC[C@H](C[NH2+]CC(C)(C)C)c1ccccc1 ZINC000163809799 398325410 /nfs/dbraw/zinc/32/54/10/398325410.db2.gz XDEXUVHMFSVSKY-CYBMUJFWSA-N 1 0 219.372 3.816 20 0 BHADRO CC(C)(C)C[NH2+]CCc1ccc(Cl)s1 ZINC000163810144 135207715 /nfs/dbraw/zinc/20/77/15/135207715.db2.gz IYNUMLKXJFFECA-UHFFFAOYSA-N 1 0 231.792 3.580 20 0 BHADRO CCSCCC[NH2+]C1CCCCCCC1 ZINC000163814748 640418604 /nfs/dbraw/zinc/41/86/04/640418604.db2.gz DOAAEVZFWVGCPY-UHFFFAOYSA-N 1 0 229.433 3.832 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CCC(C)C ZINC000163815221 202759206 /nfs/dbraw/zinc/75/92/06/202759206.db2.gz NVDCGIPARITTGS-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCCC[NH2+][C@H](C)CCC(C)C ZINC000163815342 388071884 /nfs/dbraw/zinc/07/18/84/388071884.db2.gz NVDCGIPARITTGS-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000163815497 326405673 /nfs/dbraw/zinc/40/56/73/326405673.db2.gz ATASHGCUDDZOHS-CYBMUJFWSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000163815609 388368331 /nfs/dbraw/zinc/36/83/31/388368331.db2.gz ATASHGCUDDZOHS-ZDUSSCGKSA-N 1 0 237.774 3.963 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000163819299 388074503 /nfs/dbraw/zinc/07/45/03/388074503.db2.gz LQUANABHOYWNJG-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000163819541 388075222 /nfs/dbraw/zinc/07/52/22/388075222.db2.gz LQUANABHOYWNJG-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+]Cc1ccccc1Cl ZINC000163820320 135207440 /nfs/dbraw/zinc/20/74/40/135207440.db2.gz SPEONSXRZHIQBA-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO CCSCCC[NH2+]Cc1cccc(Cl)c1 ZINC000163820444 135207449 /nfs/dbraw/zinc/20/74/49/135207449.db2.gz POLRBKAPAPPLRN-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCSCC ZINC000163821843 640420389 /nfs/dbraw/zinc/42/03/89/640420389.db2.gz JUHVQMLAIXPLHV-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCSCC ZINC000163821965 640420278 /nfs/dbraw/zinc/42/02/78/640420278.db2.gz JUHVQMLAIXPLHV-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000163822347 384864074 /nfs/dbraw/zinc/86/40/74/384864074.db2.gz QPRLUFZFOMWQGT-UHFFFAOYSA-N 1 0 243.803 3.573 20 0 BHADRO CCSCCC[NH2+]CCC1CCCCC1 ZINC000163824581 388083903 /nfs/dbraw/zinc/08/39/03/388083903.db2.gz JERUYBFCIQMSDP-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000163826049 388083498 /nfs/dbraw/zinc/08/34/98/388083498.db2.gz ZCPHQSHTIZTMCU-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000163826177 388084003 /nfs/dbraw/zinc/08/40/03/388084003.db2.gz ZCPHQSHTIZTMCU-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000163826286 388083978 /nfs/dbraw/zinc/08/39/78/388083978.db2.gz ZCPHQSHTIZTMCU-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000163826417 202775070 /nfs/dbraw/zinc/77/50/70/202775070.db2.gz ZCPHQSHTIZTMCU-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+]C1CCC(CC)CC1 ZINC000163832801 388085411 /nfs/dbraw/zinc/08/54/11/388085411.db2.gz ZXOKAHVORJVSOU-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H](CC)c1cccs1 ZINC000163834031 388085477 /nfs/dbraw/zinc/08/54/77/388085477.db2.gz FAWPNVMMJXTGAA-NSHDSACASA-N 1 0 243.441 3.932 20 0 BHADRO CCSCCC[NH2+][C@H](CC)c1cccs1 ZINC000163834129 388085465 /nfs/dbraw/zinc/08/54/65/388085465.db2.gz FAWPNVMMJXTGAA-LLVKDONJSA-N 1 0 243.441 3.932 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000163835252 135208888 /nfs/dbraw/zinc/20/88/88/135208888.db2.gz BGWAYPWHXQIDBN-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000163835361 135208708 /nfs/dbraw/zinc/20/87/08/135208708.db2.gz BGWAYPWHXQIDBN-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000163836268 388085074 /nfs/dbraw/zinc/08/50/74/388085074.db2.gz XIZRNRUROOCNSB-KGLIPLIRSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000163836369 202778467 /nfs/dbraw/zinc/77/84/67/202778467.db2.gz XIZRNRUROOCNSB-KBPBESRZSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000163836463 388085064 /nfs/dbraw/zinc/08/50/64/388085064.db2.gz XIZRNRUROOCNSB-ZIAGYGMSSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000163836547 388085248 /nfs/dbraw/zinc/08/52/48/388085248.db2.gz XIZRNRUROOCNSB-UONOGXRCSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000163838176 388085227 /nfs/dbraw/zinc/08/52/27/388085227.db2.gz AKQVRNJXQAGYTB-OCCSQVGLSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000163838293 388085062 /nfs/dbraw/zinc/08/50/62/388085062.db2.gz AKQVRNJXQAGYTB-JSGCOSHPSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000163838402 388085023 /nfs/dbraw/zinc/08/50/23/388085023.db2.gz AKQVRNJXQAGYTB-TZMCWYRMSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000163838486 384867887 /nfs/dbraw/zinc/86/78/87/384867887.db2.gz AKQVRNJXQAGYTB-GXTWGEPZSA-N 1 0 221.344 3.728 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000163840163 135208545 /nfs/dbraw/zinc/20/85/45/135208545.db2.gz IASQVLNEVZSSEE-NSHDSACASA-N 1 0 241.400 3.690 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000163840292 135208766 /nfs/dbraw/zinc/20/87/66/135208766.db2.gz IASQVLNEVZSSEE-LLVKDONJSA-N 1 0 241.400 3.690 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000163841266 135208390 /nfs/dbraw/zinc/20/83/90/135208390.db2.gz SUUPZMHJAYWLDP-STQMWFEESA-N 1 0 229.433 3.546 20 0 BHADRO c1ccc(C2([NH2+]C3CCCCC3)CC2)cc1 ZINC000163841317 388085321 /nfs/dbraw/zinc/08/53/21/388085321.db2.gz QMHUSNQEHCXNDG-UHFFFAOYSA-N 1 0 215.340 3.598 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000163841386 135208722 /nfs/dbraw/zinc/20/87/22/135208722.db2.gz SUUPZMHJAYWLDP-QWHCGFSZSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000163841478 135208680 /nfs/dbraw/zinc/20/86/80/135208680.db2.gz SUUPZMHJAYWLDP-OLZOCXBDSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000163841589 135208773 /nfs/dbraw/zinc/20/87/73/135208773.db2.gz SUUPZMHJAYWLDP-CHWSQXEVSA-N 1 0 229.433 3.546 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000163841978 326405982 /nfs/dbraw/zinc/40/59/82/326405982.db2.gz QVFFUGRHJMEWKE-KGLIPLIRSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000163842099 388368863 /nfs/dbraw/zinc/36/88/63/388368863.db2.gz QVFFUGRHJMEWKE-KBPBESRZSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000163842215 326406227 /nfs/dbraw/zinc/40/62/27/326406227.db2.gz QVFFUGRHJMEWKE-ZIAGYGMSSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000163842329 388368398 /nfs/dbraw/zinc/36/83/98/388368398.db2.gz QVFFUGRHJMEWKE-UONOGXRCSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000163844363 388369067 /nfs/dbraw/zinc/36/90/67/388369067.db2.gz SHXSNHTXULQYTJ-OCCSQVGLSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000163844472 388368785 /nfs/dbraw/zinc/36/87/85/388368785.db2.gz SHXSNHTXULQYTJ-JSGCOSHPSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000163844571 323077037 /nfs/dbraw/zinc/07/70/37/323077037.db2.gz SHXSNHTXULQYTJ-TZMCWYRMSA-N 1 0 221.344 3.728 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000163844671 323013114 /nfs/dbraw/zinc/01/31/14/323013114.db2.gz SHXSNHTXULQYTJ-GXTWGEPZSA-N 1 0 221.344 3.728 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000163855356 135208024 /nfs/dbraw/zinc/20/80/24/135208024.db2.gz MICBKSKLQFLYJD-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000163855579 135208240 /nfs/dbraw/zinc/20/82/40/135208240.db2.gz MICBKSKLQFLYJD-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cc2ccccc2o1 ZINC000163861983 135207720 /nfs/dbraw/zinc/20/77/20/135207720.db2.gz HUTGKHNXOHVMRB-LBPRGKRZSA-N 1 0 249.379 3.664 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cc2ccccc2o1 ZINC000163862119 135208204 /nfs/dbraw/zinc/20/82/04/135208204.db2.gz HUTGKHNXOHVMRB-GFCCVEGCSA-N 1 0 249.379 3.664 20 0 BHADRO CCSCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000163862413 135207966 /nfs/dbraw/zinc/20/79/66/135207966.db2.gz NHCYYBZXEHXJQP-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000163862540 135207429 /nfs/dbraw/zinc/20/74/29/135207429.db2.gz NHCYYBZXEHXJQP-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000163870026 384233726 /nfs/dbraw/zinc/23/37/26/384233726.db2.gz MKTKMCFPJFFJPX-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO CC[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000163870144 384234859 /nfs/dbraw/zinc/23/48/59/384234859.db2.gz MKTKMCFPJFFJPX-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000163871286 388096983 /nfs/dbraw/zinc/09/69/83/388096983.db2.gz IHTZKCYWMZXPGR-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000163871392 388096936 /nfs/dbraw/zinc/09/69/36/388096936.db2.gz IHTZKCYWMZXPGR-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000163871493 388097246 /nfs/dbraw/zinc/09/72/46/388097246.db2.gz IHTZKCYWMZXPGR-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000163871583 202790543 /nfs/dbraw/zinc/79/05/43/202790543.db2.gz IHTZKCYWMZXPGR-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+]C1CCC(C)(C)CC1 ZINC000163871788 135209303 /nfs/dbraw/zinc/20/93/03/135209303.db2.gz DZRWWOPYAHGTRE-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+]CCCCC(C)C ZINC000163872770 640426645 /nfs/dbraw/zinc/42/66/45/640426645.db2.gz MXRPJISJZPUFMG-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO CC1([NH2+]Cc2cccnc2Cl)CCCCC1 ZINC000163874610 168064245 /nfs/dbraw/zinc/06/42/45/168064245.db2.gz YPQMKSAEBUJUDJ-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1coc2ccccc12 ZINC000163876028 135209942 /nfs/dbraw/zinc/20/99/42/135209942.db2.gz XKVWAXDLBIPETK-LBPRGKRZSA-N 1 0 249.379 3.664 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1coc2ccccc12 ZINC000163876110 135209556 /nfs/dbraw/zinc/20/95/56/135209556.db2.gz XKVWAXDLBIPETK-GFCCVEGCSA-N 1 0 249.379 3.664 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccoc1 ZINC000163877036 640425704 /nfs/dbraw/zinc/42/57/04/640425704.db2.gz RAZLEMUPYPKGII-UHFFFAOYSA-N 1 0 209.333 3.586 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccco1 ZINC000163877927 388098388 /nfs/dbraw/zinc/09/83/88/388098388.db2.gz BTPZGYQTRMSNPK-UHFFFAOYSA-N 1 0 209.333 3.586 20 0 BHADRO Cc1ccc(C[NH2+]CCCCC(C)(C)C)o1 ZINC000163878039 384872757 /nfs/dbraw/zinc/87/27/57/384872757.db2.gz WBQWZVDVPLRCMM-UHFFFAOYSA-N 1 0 223.360 3.894 20 0 BHADRO CC(C)(C)SCC[NH2+]Cc1ccc(Cl)o1 ZINC000163880236 640425255 /nfs/dbraw/zinc/42/52/55/640425255.db2.gz JEZRSGWSSIRZLM-UHFFFAOYSA-N 1 0 247.791 3.554 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccccc1C1CC1 ZINC000163882030 411185275 /nfs/dbraw/zinc/18/52/75/411185275.db2.gz VXRHTSUSSAXSRC-AWEZNQCLSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccccc1C1CC1 ZINC000163882115 411185267 /nfs/dbraw/zinc/18/52/67/411185267.db2.gz VXRHTSUSSAXSRC-CQSZACIVSA-N 1 0 249.423 3.795 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000163886483 326406628 /nfs/dbraw/zinc/40/66/28/326406628.db2.gz GHZCMUXJPPDOSY-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCCC1(C)C ZINC000163886604 388369570 /nfs/dbraw/zinc/36/95/70/388369570.db2.gz GHZCMUXJPPDOSY-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)(C)C[NH2+]CCCc1ccc(Cl)cc1 ZINC000163899893 388098851 /nfs/dbraw/zinc/09/88/51/388098851.db2.gz VOHYBUNDOWRTKX-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)C ZINC000163907121 388098819 /nfs/dbraw/zinc/09/88/19/388098819.db2.gz GUNWHGNYIXNPCG-AWEZNQCLSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)C ZINC000163907231 388098754 /nfs/dbraw/zinc/09/87/54/388098754.db2.gz GUNWHGNYIXNPCG-CQSZACIVSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000163914683 135208660 /nfs/dbraw/zinc/20/86/60/135208660.db2.gz HGLBYICVIJKDLJ-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000163914790 135208875 /nfs/dbraw/zinc/20/88/75/135208875.db2.gz HGLBYICVIJKDLJ-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000163914900 535995309 /nfs/dbraw/zinc/99/53/09/535995309.db2.gz HGLBYICVIJKDLJ-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000163915017 135209941 /nfs/dbraw/zinc/20/99/41/135209941.db2.gz HGLBYICVIJKDLJ-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000163920296 388098854 /nfs/dbraw/zinc/09/88/54/388098854.db2.gz CUCRJRJVLXGMQY-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000163920367 388099094 /nfs/dbraw/zinc/09/90/94/388099094.db2.gz CUCRJRJVLXGMQY-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000163920484 388099053 /nfs/dbraw/zinc/09/90/53/388099053.db2.gz UKDLLTAACJXABL-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000163920581 205604870 /nfs/dbraw/zinc/60/48/70/205604870.db2.gz UKDLLTAACJXABL-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000163920713 202791255 /nfs/dbraw/zinc/79/12/55/202791255.db2.gz NUEIVAMNDATCSQ-AWEZNQCLSA-N 1 0 219.372 3.909 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000163920798 388098757 /nfs/dbraw/zinc/09/87/57/388098757.db2.gz NUEIVAMNDATCSQ-CQSZACIVSA-N 1 0 219.372 3.909 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000163947472 640430552 /nfs/dbraw/zinc/43/05/52/640430552.db2.gz CJJFQHXWEMOKLO-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000163947551 640432530 /nfs/dbraw/zinc/43/25/30/640432530.db2.gz CJJFQHXWEMOKLO-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000163947632 640431587 /nfs/dbraw/zinc/43/15/87/640431587.db2.gz CJJFQHXWEMOKLO-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000163947720 640430287 /nfs/dbraw/zinc/43/02/87/640430287.db2.gz CJJFQHXWEMOKLO-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCSCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000164003223 388125573 /nfs/dbraw/zinc/12/55/73/388125573.db2.gz AKCXUOUNBGTXRH-CYBMUJFWSA-N 1 0 237.412 3.523 20 0 BHADRO CCSCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000164003320 202831451 /nfs/dbraw/zinc/83/14/51/202831451.db2.gz AKCXUOUNBGTXRH-ZDUSSCGKSA-N 1 0 237.412 3.523 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(Cl)s1 ZINC000164005222 135212601 /nfs/dbraw/zinc/21/26/01/135212601.db2.gz RHSTXEHJIVUDCG-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000164008735 388372474 /nfs/dbraw/zinc/37/24/74/388372474.db2.gz SKNZCLDJXSHBTB-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000164008840 323045148 /nfs/dbraw/zinc/04/51/48/323045148.db2.gz SKNZCLDJXSHBTB-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000164008902 323045101 /nfs/dbraw/zinc/04/51/01/323045101.db2.gz SKNZCLDJXSHBTB-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000164008959 323045091 /nfs/dbraw/zinc/04/50/91/323045091.db2.gz SKNZCLDJXSHBTB-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000164010508 388125361 /nfs/dbraw/zinc/12/53/61/388125361.db2.gz DCRFLRMJRRLQGQ-ZOWXZIJZSA-N 1 0 233.355 3.622 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000164010760 388125741 /nfs/dbraw/zinc/12/57/41/388125741.db2.gz DCRFLRMJRRLQGQ-YWPYICTPSA-N 1 0 233.355 3.622 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000164031354 351483328 /nfs/dbraw/zinc/48/33/28/351483328.db2.gz NASFDBFOHVEADO-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000164031469 372087879 /nfs/dbraw/zinc/08/78/79/372087879.db2.gz NASFDBFOHVEADO-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000164031580 361679814 /nfs/dbraw/zinc/67/98/14/361679814.db2.gz NASFDBFOHVEADO-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000164031706 372088215 /nfs/dbraw/zinc/08/82/15/372088215.db2.gz NASFDBFOHVEADO-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)(C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000164050699 388139147 /nfs/dbraw/zinc/13/91/47/388139147.db2.gz HZOTVLJAROIASV-UHFFFAOYSA-N 1 0 243.753 3.657 20 0 BHADRO Fc1ccc(CC[NH2+]C2CCCC2)c(Cl)c1 ZINC000164050830 202851411 /nfs/dbraw/zinc/85/14/11/202851411.db2.gz BBRPDAKIKYZQRH-UHFFFAOYSA-N 1 0 241.737 3.554 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164069236 535602979 /nfs/dbraw/zinc/60/29/79/535602979.db2.gz ODLZQNCIBJRPIX-MFKMUULPSA-N 1 0 209.308 3.665 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164069352 135213378 /nfs/dbraw/zinc/21/33/78/135213378.db2.gz ODLZQNCIBJRPIX-GWCFXTLKSA-N 1 0 209.308 3.665 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccccc1F ZINC000164069378 535898723 /nfs/dbraw/zinc/89/87/23/535898723.db2.gz LRSMHSLYNGVTBY-NSHDSACASA-N 1 0 249.251 3.819 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164069480 135212857 /nfs/dbraw/zinc/21/28/57/135212857.db2.gz ODLZQNCIBJRPIX-ZWNOBZJWSA-N 1 0 209.308 3.665 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1F ZINC000164069504 535803384 /nfs/dbraw/zinc/80/33/84/535803384.db2.gz LRSMHSLYNGVTBY-LLVKDONJSA-N 1 0 249.251 3.819 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(F)c1 ZINC000164069600 535807940 /nfs/dbraw/zinc/80/79/40/535807940.db2.gz ODLZQNCIBJRPIX-GXFFZTMASA-N 1 0 209.308 3.665 20 0 BHADRO CC[C@H]([NH2+]CC(C)C)c1cccc(F)c1 ZINC000164069721 135213484 /nfs/dbraw/zinc/21/34/84/135213484.db2.gz QQBSGULIUQRSPM-ZDUSSCGKSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@@H]([NH2+]CC(C)C)c1cccc(F)c1 ZINC000164069833 535802853 /nfs/dbraw/zinc/80/28/53/535802853.db2.gz QQBSGULIUQRSPM-CYBMUJFWSA-N 1 0 209.308 3.522 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000164069955 135213253 /nfs/dbraw/zinc/21/32/53/135213253.db2.gz NVZFFLKVZDOERN-AWEZNQCLSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000164070069 535802726 /nfs/dbraw/zinc/80/27/26/535802726.db2.gz NVZFFLKVZDOERN-CQSZACIVSA-N 1 0 221.319 3.809 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164072057 135213299 /nfs/dbraw/zinc/21/32/99/135213299.db2.gz CJZNDKBFXLHLRZ-ZDUSSCGKSA-N 1 0 209.308 3.667 20 0 BHADRO CCCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164072160 535295217 /nfs/dbraw/zinc/29/52/17/535295217.db2.gz CJZNDKBFXLHLRZ-CYBMUJFWSA-N 1 0 209.308 3.667 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1cccc(F)c1 ZINC000164072276 535898838 /nfs/dbraw/zinc/89/88/38/535898838.db2.gz IMWWDZXLIMYBSY-AWEZNQCLSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1cccc(F)c1 ZINC000164072372 535803435 /nfs/dbraw/zinc/80/34/35/535803435.db2.gz IMWWDZXLIMYBSY-CQSZACIVSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cccc(F)c1 ZINC000164074835 135212792 /nfs/dbraw/zinc/21/27/92/135212792.db2.gz WFJSYKGPRVUVRA-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cccc(F)c1 ZINC000164074948 535803275 /nfs/dbraw/zinc/80/32/75/535803275.db2.gz WFJSYKGPRVUVRA-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(F)c1 ZINC000164076215 135213497 /nfs/dbraw/zinc/21/34/97/135213497.db2.gz LXJPTVDPYXVSSP-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(F)c1 ZINC000164076329 535807888 /nfs/dbraw/zinc/80/78/88/535807888.db2.gz LXJPTVDPYXVSSP-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc(F)c1 ZINC000164076442 135213217 /nfs/dbraw/zinc/21/32/17/135213217.db2.gz LXJPTVDPYXVSSP-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(F)c1 ZINC000164076551 135213319 /nfs/dbraw/zinc/21/33/19/135213319.db2.gz LXJPTVDPYXVSSP-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1F ZINC000164077119 135212904 /nfs/dbraw/zinc/21/29/04/135212904.db2.gz FPEGXCOJJHIHOA-WFASDCNBSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1F ZINC000164077235 135213195 /nfs/dbraw/zinc/21/31/95/135213195.db2.gz FPEGXCOJJHIHOA-SWLSCSKDSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1F ZINC000164077348 535932475 /nfs/dbraw/zinc/93/24/75/535932475.db2.gz FPEGXCOJJHIHOA-DOMZBBRYSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1F ZINC000164077466 535808124 /nfs/dbraw/zinc/80/81/24/535808124.db2.gz FPEGXCOJJHIHOA-IUODEOHRSA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000164078443 535896023 /nfs/dbraw/zinc/89/60/23/535896023.db2.gz YIKKKXFEQSLVMO-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000164078546 535802869 /nfs/dbraw/zinc/80/28/69/535802869.db2.gz YIKKKXFEQSLVMO-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000164079147 535932119 /nfs/dbraw/zinc/93/21/19/535932119.db2.gz BPKGQVHMJZWRAR-QWHCGFSZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000164079256 535808204 /nfs/dbraw/zinc/80/82/04/535808204.db2.gz BPKGQVHMJZWRAR-CHWSQXEVSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(F)c1 ZINC000164079377 135212747 /nfs/dbraw/zinc/21/27/47/135212747.db2.gz BPKGQVHMJZWRAR-STQMWFEESA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(F)c1 ZINC000164079495 135213387 /nfs/dbraw/zinc/21/33/87/135213387.db2.gz BPKGQVHMJZWRAR-OLZOCXBDSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1cccc(F)c1 ZINC000164081369 135213474 /nfs/dbraw/zinc/21/34/74/135213474.db2.gz CARMPSUJFIORCS-ZDUSSCGKSA-N 1 0 241.375 3.620 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1cccc(F)c1 ZINC000164081474 135213269 /nfs/dbraw/zinc/21/32/69/135213269.db2.gz CARMPSUJFIORCS-CYBMUJFWSA-N 1 0 241.375 3.620 20 0 BHADRO CC1CCC(C)([NH2+]Cc2cccs2)CC1 ZINC000164083239 388149457 /nfs/dbraw/zinc/14/94/57/388149457.db2.gz IBLNXSDVMCWKGJ-UHFFFAOYSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cccc(F)c1 ZINC000164083241 535900334 /nfs/dbraw/zinc/90/03/34/535900334.db2.gz XHQJSLBXMUNBCF-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cccc(F)c1 ZINC000164083334 535803303 /nfs/dbraw/zinc/80/33/03/535803303.db2.gz XHQJSLBXMUNBCF-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCC(C)CC2)o1 ZINC000164084065 135213658 /nfs/dbraw/zinc/21/36/58/135213658.db2.gz NBFRSTIUGOWZCE-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CC1CCC(C)([NH2+]Cc2ccsc2)CC1 ZINC000164084185 135214337 /nfs/dbraw/zinc/21/43/37/135214337.db2.gz LGNVSKLRNQIUOO-UHFFFAOYSA-N 1 0 223.385 3.807 20 0 BHADRO CC1CCC(C)([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000164084318 202870077 /nfs/dbraw/zinc/87/00/77/202870077.db2.gz ZHWINYJMYZIBFI-UHFFFAOYSA-N 1 0 241.762 3.991 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000164086987 388149338 /nfs/dbraw/zinc/14/93/38/388149338.db2.gz JLFGOEVFWQDXMR-DZGCQCFKSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000164087117 388149798 /nfs/dbraw/zinc/14/97/98/388149798.db2.gz JLFGOEVFWQDXMR-UKRRQHHQSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000164087221 388149364 /nfs/dbraw/zinc/14/93/64/388149364.db2.gz JLFGOEVFWQDXMR-ZFWWWQNUSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000164087332 202869707 /nfs/dbraw/zinc/86/97/07/202869707.db2.gz JLFGOEVFWQDXMR-HIFRSBDPSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000164087912 135214167 /nfs/dbraw/zinc/21/41/67/135214167.db2.gz FSVOSONZRDTJDR-JKOKRWQUSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000164088148 135214252 /nfs/dbraw/zinc/21/42/52/135214252.db2.gz FSVOSONZRDTJDR-SUHUHFCYSA-N 1 0 221.319 3.522 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccccc1C ZINC000164089045 388149524 /nfs/dbraw/zinc/14/95/24/388149524.db2.gz POURPKDDPHHPSO-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000164089186 388149501 /nfs/dbraw/zinc/14/95/01/388149501.db2.gz KVAUUISHOXINOP-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc(F)c1 ZINC000164089589 135214238 /nfs/dbraw/zinc/21/42/38/135214238.db2.gz YGZLRTADPLKQNL-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccc(F)c1 ZINC000164089713 535804461 /nfs/dbraw/zinc/80/44/61/535804461.db2.gz YGZLRTADPLKQNL-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1cccc(F)c1 ZINC000164089816 535909071 /nfs/dbraw/zinc/90/90/71/535909071.db2.gz YGZLRTADPLKQNL-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)cc1 ZINC000164089892 202869267 /nfs/dbraw/zinc/86/92/67/202869267.db2.gz MKBVSRGPEZOLDI-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc(F)c1 ZINC000164089924 135214254 /nfs/dbraw/zinc/21/42/54/135214254.db2.gz YGZLRTADPLKQNL-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1cccc(F)c1 ZINC000164090511 535893363 /nfs/dbraw/zinc/89/33/63/535893363.db2.gz ACBKGZUQVXPSRU-DBRPNBKGSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccc(F)c1 ZINC000164090627 135214199 /nfs/dbraw/zinc/21/41/99/135214199.db2.gz ACBKGZUQVXPSRU-UZANAETPSA-N 1 0 221.319 3.665 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(F)c1F ZINC000164090657 372096954 /nfs/dbraw/zinc/09/69/54/372096954.db2.gz DJEJZKXITOLGAE-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(F)c1 ZINC000164090756 135214351 /nfs/dbraw/zinc/21/43/51/135214351.db2.gz NMCVBDYFHDOQTL-GWCFXTLKSA-N 1 0 241.375 3.618 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(C)c1C ZINC000164090852 388149438 /nfs/dbraw/zinc/14/94/38/388149438.db2.gz DBUHIOGAYYSNOE-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(F)c1 ZINC000164090884 535808052 /nfs/dbraw/zinc/80/80/52/535808052.db2.gz NMCVBDYFHDOQTL-GXFFZTMASA-N 1 0 241.375 3.618 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000164090974 388149468 /nfs/dbraw/zinc/14/94/68/388149468.db2.gz YCFHCXTZGXHZSG-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1cccc(F)c1 ZINC000164090996 135213817 /nfs/dbraw/zinc/21/38/17/135213817.db2.gz NMCVBDYFHDOQTL-MFKMUULPSA-N 1 0 241.375 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(F)c1 ZINC000164091112 135214406 /nfs/dbraw/zinc/21/44/06/135214406.db2.gz NMCVBDYFHDOQTL-ZWNOBZJWSA-N 1 0 241.375 3.618 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)ccc1F ZINC000164091228 388149647 /nfs/dbraw/zinc/14/96/47/388149647.db2.gz PEEGKYUMNRGYLD-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1cccc(F)c1 ZINC000164091258 538931240 /nfs/dbraw/zinc/93/12/40/538931240.db2.gz SUYMNPJPFUNVMS-AWEZNQCLSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1cccc(F)c1 ZINC000164091343 538931298 /nfs/dbraw/zinc/93/12/98/538931298.db2.gz SUYMNPJPFUNVMS-CQSZACIVSA-N 1 0 219.303 3.585 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000164091479 388149407 /nfs/dbraw/zinc/14/94/07/388149407.db2.gz CZYKVZZZPLVGLK-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(F)cc1F ZINC000164092359 372096768 /nfs/dbraw/zinc/09/67/68/372096768.db2.gz UULLCBHOFRKEEJ-UHFFFAOYSA-N 1 0 227.298 3.633 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(C)c1 ZINC000164092509 388151454 /nfs/dbraw/zinc/15/14/54/388151454.db2.gz FXYPGVFWRLGYEX-UHFFFAOYSA-N 1 0 205.345 3.663 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000164092989 388151441 /nfs/dbraw/zinc/15/14/41/388151441.db2.gz BXQXEHGYVRWUKZ-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(CC)CC)cc1 ZINC000164094063 388151757 /nfs/dbraw/zinc/15/17/57/388151757.db2.gz QQOGBUOARZDTMI-UHFFFAOYSA-N 1 0 219.372 3.917 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)cc1C ZINC000164094217 384911194 /nfs/dbraw/zinc/91/11/94/384911194.db2.gz KTDDVRGEQOOHQL-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)ccc1C ZINC000164095247 205824835 /nfs/dbraw/zinc/82/48/35/205824835.db2.gz ALCHUDJVSPEFID-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(Cl)o1 ZINC000164095635 388151889 /nfs/dbraw/zinc/15/18/89/388151889.db2.gz NIYSZTKSXQKLAH-UHFFFAOYSA-N 1 0 215.724 3.601 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000164096260 202872853 /nfs/dbraw/zinc/87/28/53/202872853.db2.gz WKEPCDAIFIXLBM-UHFFFAOYSA-N 1 0 219.372 3.972 20 0 BHADRO CCC(C)(CC)[NH2+]C/C=C/c1ccccc1 ZINC000164096387 388151452 /nfs/dbraw/zinc/15/14/52/388151452.db2.gz GTQDJCCNGNCZRC-FMIVXFBMSA-N 1 0 217.356 3.868 20 0 BHADRO CCCCCC[NH2+]Cc1cc(C)ccc1F ZINC000164103862 633071470 /nfs/dbraw/zinc/07/14/70/633071470.db2.gz HAZFKYXIXKAZBR-UHFFFAOYSA-N 1 0 223.335 3.804 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CCC1 ZINC000164106170 538931226 /nfs/dbraw/zinc/93/12/26/538931226.db2.gz GIUUOPNYAUZZDQ-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CCC1 ZINC000164106253 538931440 /nfs/dbraw/zinc/93/14/40/538931440.db2.gz GIUUOPNYAUZZDQ-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C1CCC1 ZINC000164106327 538931323 /nfs/dbraw/zinc/93/13/23/538931323.db2.gz GIUUOPNYAUZZDQ-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CCC1 ZINC000164106406 538931492 /nfs/dbraw/zinc/93/14/92/538931492.db2.gz GIUUOPNYAUZZDQ-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCCC(C)C)c1 ZINC000164106635 384917465 /nfs/dbraw/zinc/91/74/65/384917465.db2.gz IZXGHAOYAYHWOE-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCC(C)(C)C)c1 ZINC000164107077 202874587 /nfs/dbraw/zinc/87/45/87/202874587.db2.gz OTJIZYVWPWGPTD-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000164110381 202873958 /nfs/dbraw/zinc/87/39/58/202873958.db2.gz ZTBXJWOBWISPTH-VXGBXAGGSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000164110500 388154040 /nfs/dbraw/zinc/15/40/40/388154040.db2.gz ZTBXJWOBWISPTH-NWDGAFQWSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000164110614 388154046 /nfs/dbraw/zinc/15/40/46/388154046.db2.gz ZTBXJWOBWISPTH-NEPJUHHUSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000164110731 202874714 /nfs/dbraw/zinc/87/47/14/202874714.db2.gz ZTBXJWOBWISPTH-RYUDHWBXSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2(C)CCCC2)c1 ZINC000164113493 202877004 /nfs/dbraw/zinc/87/70/04/202877004.db2.gz VVFOFWRQEFWXTQ-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1F ZINC000164116021 388155097 /nfs/dbraw/zinc/15/50/97/388155097.db2.gz ILOMYCKFVGMMLH-CYBMUJFWSA-N 1 0 223.335 3.802 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1F ZINC000164116148 388155169 /nfs/dbraw/zinc/15/51/69/388155169.db2.gz ILOMYCKFVGMMLH-ZDUSSCGKSA-N 1 0 223.335 3.802 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000164116495 202878299 /nfs/dbraw/zinc/87/82/99/202878299.db2.gz BRELYACUOKRBQI-IOASZLSFSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000164116727 388155335 /nfs/dbraw/zinc/15/53/35/388155335.db2.gz BRELYACUOKRBQI-XJKCOSOUSA-N 1 0 247.382 3.925 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)ccc1F ZINC000164117578 388389014 /nfs/dbraw/zinc/38/90/14/388389014.db2.gz HQKKCNOSDSHPMI-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)ccc1F ZINC000164119877 388155846 /nfs/dbraw/zinc/15/58/46/388155846.db2.gz WWIILBSCSZTHIR-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000164121739 202880785 /nfs/dbraw/zinc/88/07/85/202880785.db2.gz QYRQBPLXDFCQGH-IOASZLSFSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000164121980 388157238 /nfs/dbraw/zinc/15/72/38/388157238.db2.gz QYRQBPLXDFCQGH-XJKCOSOUSA-N 1 0 247.382 3.925 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)ccc1F ZINC000164122501 388157471 /nfs/dbraw/zinc/15/74/71/388157471.db2.gz HEVXXUGGPXHMND-UHFFFAOYSA-N 1 0 223.335 3.802 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1OC ZINC000164126004 388158098 /nfs/dbraw/zinc/15/80/98/388158098.db2.gz BOBIJLMXWCZYPU-NFAWXSAZSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1OC ZINC000164126261 388157981 /nfs/dbraw/zinc/15/79/81/388157981.db2.gz BOBIJLMXWCZYPU-UMVBOHGHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164127388 388374282 /nfs/dbraw/zinc/37/42/82/388374282.db2.gz MYEHQMMWAHLWQB-SQWLQELKSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164127625 388374095 /nfs/dbraw/zinc/37/40/95/388374095.db2.gz MYEHQMMWAHLWQB-OFQRWUPVSA-N 1 0 248.414 3.845 20 0 BHADRO Cc1csc(C[NH2+]CCCC2CCCC2)n1 ZINC000164133660 135212892 /nfs/dbraw/zinc/21/28/92/135212892.db2.gz SYASKODGKDAFEB-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC1CC1 ZINC000164140594 388159559 /nfs/dbraw/zinc/15/95/59/388159559.db2.gz FYASPPKWBKEOCA-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC1CC1 ZINC000164140701 388159542 /nfs/dbraw/zinc/15/95/42/388159542.db2.gz FYASPPKWBKEOCA-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000164140823 202884278 /nfs/dbraw/zinc/88/42/78/202884278.db2.gz FYASPPKWBKEOCA-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CC1CC1 ZINC000164140925 388160367 /nfs/dbraw/zinc/16/03/67/388160367.db2.gz FYASPPKWBKEOCA-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cn1 ZINC000164144550 535065483 /nfs/dbraw/zinc/06/54/83/535065483.db2.gz CEZSZQHMPWIFON-TZMCWYRMSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)cn1 ZINC000164144638 135214667 /nfs/dbraw/zinc/21/46/67/135214667.db2.gz CEZSZQHMPWIFON-GXTWGEPZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cn1 ZINC000164144726 135214771 /nfs/dbraw/zinc/21/47/71/135214771.db2.gz CEZSZQHMPWIFON-OCCSQVGLSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC2(C)C)cn1 ZINC000164144824 135214942 /nfs/dbraw/zinc/21/49/42/135214942.db2.gz CEZSZQHMPWIFON-JSGCOSHPSA-N 1 0 249.402 3.693 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000164149294 388160982 /nfs/dbraw/zinc/16/09/82/388160982.db2.gz ZONXZYDWJPCUBN-UONOGXRCSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000164149414 202885917 /nfs/dbraw/zinc/88/59/17/202885917.db2.gz ZONXZYDWJPCUBN-KBPBESRZSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000164149532 388161439 /nfs/dbraw/zinc/16/14/39/388161439.db2.gz ZONXZYDWJPCUBN-ZIAGYGMSSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000164149641 388161094 /nfs/dbraw/zinc/16/10/94/388161094.db2.gz ZONXZYDWJPCUBN-KGLIPLIRSA-N 1 0 241.444 3.973 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1 ZINC000164162778 397990240 /nfs/dbraw/zinc/99/02/40/397990240.db2.gz FDCSELFVXWTPGD-BWNDKRECSA-N 1 0 243.272 3.630 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1 ZINC000164162887 397990185 /nfs/dbraw/zinc/99/01/85/397990185.db2.gz FDCSELFVXWTPGD-AYLMVEPYSA-N 1 0 243.272 3.630 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)C(C)C ZINC000164174577 326410961 /nfs/dbraw/zinc/41/09/61/326410961.db2.gz DRDLBEYIJAQYMN-CVEARBPZSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)C(C)C ZINC000164174679 326410971 /nfs/dbraw/zinc/41/09/71/326410971.db2.gz DRDLBEYIJAQYMN-HZPDHXFCSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)C(C)C ZINC000164174784 388375049 /nfs/dbraw/zinc/37/50/49/388375049.db2.gz DRDLBEYIJAQYMN-HOTGVXAUSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)C(C)C ZINC000164174908 388375654 /nfs/dbraw/zinc/37/56/54/388375654.db2.gz DRDLBEYIJAQYMN-JKSUJKDBSA-N 1 0 248.414 3.845 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000164180019 388166297 /nfs/dbraw/zinc/16/62/97/388166297.db2.gz MINNRUALPULUNZ-NSHDSACASA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000164180141 388166607 /nfs/dbraw/zinc/16/66/07/388166607.db2.gz MINNRUALPULUNZ-LLVKDONJSA-N 1 0 223.360 3.892 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccoc1 ZINC000164180638 135213965 /nfs/dbraw/zinc/21/39/65/135213965.db2.gz WXXHHIDINFZFEE-NSHDSACASA-N 1 0 209.333 3.584 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccoc1 ZINC000164180754 388166257 /nfs/dbraw/zinc/16/62/57/388166257.db2.gz WXXHHIDINFZFEE-LLVKDONJSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000164180871 388166448 /nfs/dbraw/zinc/16/64/48/388166448.db2.gz CMUKJBAWHYTNAP-ZDUSSCGKSA-N 1 0 219.372 3.991 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000164180980 388166372 /nfs/dbraw/zinc/16/63/72/388166372.db2.gz CMUKJBAWHYTNAP-CYBMUJFWSA-N 1 0 219.372 3.991 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1cccnc1 ZINC000164186953 388376787 /nfs/dbraw/zinc/37/67/87/388376787.db2.gz WTIKDIREFCQIGI-DZGCQCFKSA-N 1 0 248.414 3.845 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1cccnc1 ZINC000164187054 388376498 /nfs/dbraw/zinc/37/64/98/388376498.db2.gz WTIKDIREFCQIGI-ZFWWWQNUSA-N 1 0 248.414 3.845 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)C)c1cccnc1 ZINC000164187182 388375252 /nfs/dbraw/zinc/37/52/52/388375252.db2.gz WTIKDIREFCQIGI-UKRRQHHQSA-N 1 0 248.414 3.845 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)C)c1cccnc1 ZINC000164187244 388377079 /nfs/dbraw/zinc/37/70/79/388377079.db2.gz WTIKDIREFCQIGI-HIFRSBDPSA-N 1 0 248.414 3.845 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H](C)C1(C)CC1)c1cccnc1 ZINC000164187362 167398361 /nfs/dbraw/zinc/39/83/61/167398361.db2.gz WKGBREDNMQFKSH-DZGCQCFKSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C1(C)CC1)c1cccnc1 ZINC000164187480 135215477 /nfs/dbraw/zinc/21/54/77/135215477.db2.gz WKGBREDNMQFKSH-ZFWWWQNUSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1cccnc1 ZINC000164187593 135215991 /nfs/dbraw/zinc/21/59/91/135215991.db2.gz WKGBREDNMQFKSH-UKRRQHHQSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H](C)C1(C)CC1)c1cccnc1 ZINC000164187705 346595096 /nfs/dbraw/zinc/59/50/96/346595096.db2.gz WKGBREDNMQFKSH-HIFRSBDPSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000164193755 535603115 /nfs/dbraw/zinc/60/31/15/535603115.db2.gz OHFQQYRMAXBBNE-RNCFNFMXSA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000164193868 171345874 /nfs/dbraw/zinc/34/58/74/171345874.db2.gz OHFQQYRMAXBBNE-ZANVPECISA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000164193978 384938719 /nfs/dbraw/zinc/93/87/19/384938719.db2.gz OHFQQYRMAXBBNE-NOZJJQNGSA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)cc1F ZINC000164194096 171347945 /nfs/dbraw/zinc/34/79/45/171347945.db2.gz OHFQQYRMAXBBNE-TVQRCGJNSA-N 1 0 227.298 3.804 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000164194224 135215550 /nfs/dbraw/zinc/21/55/50/135215550.db2.gz SVWVNBKELIIMHL-ZDUSSCGKSA-N 1 0 227.298 3.806 20 0 BHADRO CCCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000164194336 535294640 /nfs/dbraw/zinc/29/46/40/535294640.db2.gz SVWVNBKELIIMHL-CYBMUJFWSA-N 1 0 227.298 3.806 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)C1CC1 ZINC000164195591 171525320 /nfs/dbraw/zinc/52/53/20/171525320.db2.gz JEOZNPGDKFXDRL-CVEARBPZSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)C1CC1 ZINC000164195696 384938280 /nfs/dbraw/zinc/93/82/80/384938280.db2.gz JEOZNPGDKFXDRL-HZPDHXFCSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)C1CC1 ZINC000164195823 384938357 /nfs/dbraw/zinc/93/83/57/384938357.db2.gz JEOZNPGDKFXDRL-HOTGVXAUSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)C1CC1 ZINC000164195918 346595383 /nfs/dbraw/zinc/59/53/83/346595383.db2.gz JEOZNPGDKFXDRL-JKSUJKDBSA-N 1 0 246.398 3.599 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CC(C)(C)C)cc1 ZINC000164217167 372121244 /nfs/dbraw/zinc/12/12/44/372121244.db2.gz NTLDCKPTJWZELJ-ZDUSSCGKSA-N 1 0 219.372 3.734 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CC(C)(C)C)cc1 ZINC000164217290 372121289 /nfs/dbraw/zinc/12/12/89/372121289.db2.gz NTLDCKPTJWZELJ-CYBMUJFWSA-N 1 0 219.372 3.734 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000164242087 640459280 /nfs/dbraw/zinc/45/92/80/640459280.db2.gz WXGBINVMZRYHQK-IYXRBSQSSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000164242200 640459690 /nfs/dbraw/zinc/45/96/90/640459690.db2.gz WXGBINVMZRYHQK-HSBZDZAISA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000164251256 202907829 /nfs/dbraw/zinc/90/78/29/202907829.db2.gz QCPZXHBREYHSKI-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000164251388 388177437 /nfs/dbraw/zinc/17/74/37/388177437.db2.gz QQDODQGFZKZAGB-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO CCCc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000164295348 388206380 /nfs/dbraw/zinc/20/63/80/388206380.db2.gz HJNOSHLQKZJFJD-UHFFFAOYSA-N 1 0 205.345 3.527 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000164308469 388211428 /nfs/dbraw/zinc/21/14/28/388211428.db2.gz VJZRICQCZGXUKJ-GFCCVEGCSA-N 1 0 223.335 3.516 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000164308588 388211737 /nfs/dbraw/zinc/21/17/37/388211737.db2.gz VJZRICQCZGXUKJ-LBPRGKRZSA-N 1 0 223.335 3.516 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000164310724 352668668 /nfs/dbraw/zinc/66/86/68/352668668.db2.gz HKFAVBSRXTZGGK-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(C)C)cc1 ZINC000164310867 326411991 /nfs/dbraw/zinc/41/19/91/326411991.db2.gz TVAVBQDOLWDKFW-UHFFFAOYSA-N 1 0 219.372 3.911 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)(C)C)c1 ZINC000164311008 352668477 /nfs/dbraw/zinc/66/84/77/352668477.db2.gz SNAFWUWNWWBLTQ-UHFFFAOYSA-N 1 0 219.372 3.911 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1cccc(F)c1 ZINC000164311293 352668256 /nfs/dbraw/zinc/66/82/56/352668256.db2.gz KACMSSYEHJKIIE-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccccc1F ZINC000164311888 326411975 /nfs/dbraw/zinc/41/19/75/326411975.db2.gz FXSTVYADJYQKJB-UHFFFAOYSA-N 1 0 223.335 3.742 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(C)C)o1 ZINC000164312159 361738412 /nfs/dbraw/zinc/73/84/12/361738412.db2.gz FJABJQWEVVQSCR-UHFFFAOYSA-N 1 0 209.333 3.504 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000164312431 372133261 /nfs/dbraw/zinc/13/32/61/372133261.db2.gz NYJBZKMKBBIWKD-UHFFFAOYSA-N 1 0 229.751 3.849 20 0 BHADRO Cc1ccsc1C[NH2+]CCCC(C)(C)C ZINC000164312643 372133056 /nfs/dbraw/zinc/13/30/56/372133056.db2.gz MMCZAZBGSIUDGV-UHFFFAOYSA-N 1 0 225.401 3.972 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(C)C)s1 ZINC000164312919 361738426 /nfs/dbraw/zinc/73/84/26/361738426.db2.gz MGPRTWGUGCOADO-UHFFFAOYSA-N 1 0 225.401 3.972 20 0 BHADRO Cc1ccccc1C[NH2+]CCCC(C)(C)C ZINC000164313798 326411619 /nfs/dbraw/zinc/41/16/19/326411619.db2.gz HVWBVJVNTAWTFW-UHFFFAOYSA-N 1 0 219.372 3.911 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)o1 ZINC000164336265 388231230 /nfs/dbraw/zinc/23/12/30/388231230.db2.gz DLYYMNSIACRERM-WDEREUQCSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)o1 ZINC000164336422 388231273 /nfs/dbraw/zinc/23/12/73/388231273.db2.gz DLYYMNSIACRERM-QWRGUYRKSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)o1 ZINC000164336545 388231362 /nfs/dbraw/zinc/23/13/62/388231362.db2.gz DLYYMNSIACRERM-GHMZBOCLSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)o1 ZINC000164336674 388231418 /nfs/dbraw/zinc/23/14/18/388231418.db2.gz DLYYMNSIACRERM-MNOVXSKESA-N 1 0 221.344 3.681 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccco1 ZINC000164337789 135219393 /nfs/dbraw/zinc/21/93/93/135219393.db2.gz WIPRTJZOCTYDSE-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]Cc1ccco1 ZINC000164337902 135219864 /nfs/dbraw/zinc/21/98/64/135219864.db2.gz WIPRTJZOCTYDSE-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccoc1 ZINC000164338870 136222374 /nfs/dbraw/zinc/22/23/74/136222374.db2.gz MMSXWHFBBWDVAB-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]Cc1ccoc1 ZINC000164338989 135219327 /nfs/dbraw/zinc/21/93/27/135219327.db2.gz MMSXWHFBBWDVAB-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCCCC1 ZINC000164356250 203003241 /nfs/dbraw/zinc/00/32/41/203003241.db2.gz ZUPJDNWLOOPQBV-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCCCC1 ZINC000164356374 384967986 /nfs/dbraw/zinc/96/79/86/384967986.db2.gz ZUPJDNWLOOPQBV-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)C1CCCCC1 ZINC000164356454 203003808 /nfs/dbraw/zinc/00/38/08/203003808.db2.gz ZUPJDNWLOOPQBV-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CCCCC1 ZINC000164356554 384968774 /nfs/dbraw/zinc/96/87/74/384968774.db2.gz ZUPJDNWLOOPQBV-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+]CC(C)(C)C)c1 ZINC000164391970 372147059 /nfs/dbraw/zinc/14/70/59/372147059.db2.gz KGBLXXPZBAWQTO-ZDUSSCGKSA-N 1 0 219.372 3.734 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+]CC(C)(C)C)c1 ZINC000164392098 372147017 /nfs/dbraw/zinc/14/70/17/372147017.db2.gz KGBLXXPZBAWQTO-CYBMUJFWSA-N 1 0 219.372 3.734 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000164399258 203043724 /nfs/dbraw/zinc/04/37/24/203043724.db2.gz FKWAJSCMBIWDDT-ABAIWWIYSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000164399381 203043340 /nfs/dbraw/zinc/04/33/40/203043340.db2.gz FKWAJSCMBIWDDT-NHYWBVRUSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000164399503 388391265 /nfs/dbraw/zinc/39/12/65/388391265.db2.gz FKWAJSCMBIWDDT-IAQYHMDHSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000164399623 203043437 /nfs/dbraw/zinc/04/34/37/203043437.db2.gz FKWAJSCMBIWDDT-XHDPSFHLSA-N 1 0 215.340 3.767 20 0 BHADRO Cc1cccc2c(CC[NH2+][C@@H](C)C(C)C)c[nH]c21 ZINC000164410130 326412453 /nfs/dbraw/zinc/41/24/53/326412453.db2.gz MUXBUWMFWJYEBQ-ZDUSSCGKSA-N 1 0 244.382 3.653 20 0 BHADRO Cc1cccc2c(CC[NH2+][C@H](C)C(C)C)c[nH]c21 ZINC000164410252 388378859 /nfs/dbraw/zinc/37/88/59/388378859.db2.gz MUXBUWMFWJYEBQ-CYBMUJFWSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000164411845 219926816 /nfs/dbraw/zinc/92/68/16/219926816.db2.gz VCBIZZLPHLDEOB-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000164411970 203070273 /nfs/dbraw/zinc/07/02/73/203070273.db2.gz VCBIZZLPHLDEOB-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000164412090 203071012 /nfs/dbraw/zinc/07/10/12/203071012.db2.gz VCBIZZLPHLDEOB-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000164412204 203070531 /nfs/dbraw/zinc/07/05/31/203070531.db2.gz VCBIZZLPHLDEOB-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2c1cccc2C ZINC000164416313 388379020 /nfs/dbraw/zinc/37/90/20/388379020.db2.gz BQJOBKIJXHUYPD-CYBMUJFWSA-N 1 0 244.382 3.797 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1c[nH]c2c1cccc2C ZINC000164416386 326412750 /nfs/dbraw/zinc/41/27/50/326412750.db2.gz BQJOBKIJXHUYPD-ZDUSSCGKSA-N 1 0 244.382 3.797 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000164416628 411505466 /nfs/dbraw/zinc/50/54/66/411505466.db2.gz KHAUDSVCTVMEBW-OCCSQVGLSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000164416725 203070350 /nfs/dbraw/zinc/07/03/50/203070350.db2.gz KHAUDSVCTVMEBW-JSGCOSHPSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000164416793 203072590 /nfs/dbraw/zinc/07/25/90/203072590.db2.gz KHAUDSVCTVMEBW-TZMCWYRMSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000164416874 203073051 /nfs/dbraw/zinc/07/30/51/203073051.db2.gz KHAUDSVCTVMEBW-GXTWGEPZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccoc1C[NH2+]CCCC1CCCC1 ZINC000164416995 135249571 /nfs/dbraw/zinc/24/95/71/135249571.db2.gz BGCNJNPARKSPCT-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO Cc1ncsc1C[NH2+]CCCC1CCCC1 ZINC000164417139 135250212 /nfs/dbraw/zinc/25/02/12/135250212.db2.gz MWFHLCBHPSCWSY-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000164426804 203080508 /nfs/dbraw/zinc/08/05/08/203080508.db2.gz DSHFCIFIWYJIDY-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000164427043 203080964 /nfs/dbraw/zinc/08/09/64/203080964.db2.gz DSHFCIFIWYJIDY-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000164430838 135276429 /nfs/dbraw/zinc/27/64/29/135276429.db2.gz VKFQLKKZZVVERS-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000164430962 135276985 /nfs/dbraw/zinc/27/69/85/135276985.db2.gz VKFQLKKZZVVERS-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000164432803 203090047 /nfs/dbraw/zinc/09/00/47/203090047.db2.gz RCRGKKDFEGKZBW-ZJUUUORDSA-N 1 0 243.803 3.722 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000164432808 640480570 /nfs/dbraw/zinc/48/05/70/640480570.db2.gz JTCGQXAHKSYPCQ-FVCCEPFGSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000164432914 640482481 /nfs/dbraw/zinc/48/24/81/640482481.db2.gz JTCGQXAHKSYPCQ-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000164432922 203089593 /nfs/dbraw/zinc/08/95/93/203089593.db2.gz RCRGKKDFEGKZBW-UWVGGRQHSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000164433042 386109017 /nfs/dbraw/zinc/10/90/17/386109017.db2.gz RCRGKKDFEGKZBW-NXEZZACHSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000164433155 203089406 /nfs/dbraw/zinc/08/94/06/203089406.db2.gz RCRGKKDFEGKZBW-VHSXEESVSA-N 1 0 243.803 3.722 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000164438148 134858579 /nfs/dbraw/zinc/85/85/79/134858579.db2.gz ULWXMBAJPCFWRT-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000164438268 135300195 /nfs/dbraw/zinc/30/01/95/135300195.db2.gz ULWXMBAJPCFWRT-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000164438394 135299923 /nfs/dbraw/zinc/29/99/23/135299923.db2.gz ULWXMBAJPCFWRT-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000164438526 135301052 /nfs/dbraw/zinc/30/10/52/135301052.db2.gz ULWXMBAJPCFWRT-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000164440087 640483132 /nfs/dbraw/zinc/48/31/32/640483132.db2.gz XQRBPRLYGCYMSN-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000164440199 640482818 /nfs/dbraw/zinc/48/28/18/640482818.db2.gz XQRBPRLYGCYMSN-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)[NH2+]CCc1c[nH]c2c1cccc2C ZINC000164440626 326412742 /nfs/dbraw/zinc/41/27/42/326412742.db2.gz ZEUQKFNUDZKGMB-UHFFFAOYSA-N 1 0 244.382 3.797 20 0 BHADRO CCSCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000164447785 203102548 /nfs/dbraw/zinc/10/25/48/203102548.db2.gz BATQLXJCIVKURX-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CCSCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000164447911 203102071 /nfs/dbraw/zinc/10/20/71/203102071.db2.gz BATQLXJCIVKURX-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000164447963 135318112 /nfs/dbraw/zinc/31/81/12/135318112.db2.gz IHYNEVNQBIREOW-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000164448065 135319412 /nfs/dbraw/zinc/31/94/12/135319412.db2.gz IHYNEVNQBIREOW-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000164448174 135320076 /nfs/dbraw/zinc/32/00/76/135320076.db2.gz IHYNEVNQBIREOW-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000164448283 135320406 /nfs/dbraw/zinc/32/04/06/135320406.db2.gz IHYNEVNQBIREOW-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000164452323 203111571 /nfs/dbraw/zinc/11/15/71/203111571.db2.gz BSXNXPQVJSBNOL-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO Cc1ccoc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000164454732 203112992 /nfs/dbraw/zinc/11/29/92/203112992.db2.gz ZRHBEWHCVKKKHO-RYUDHWBXSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000164454836 203113020 /nfs/dbraw/zinc/11/30/20/203113020.db2.gz ZRHBEWHCVKKKHO-VXGBXAGGSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1CCC(C)(C)CC1 ZINC000164481198 384998716 /nfs/dbraw/zinc/99/87/16/384998716.db2.gz ZLBAHZBEWQNWTB-VIFPVBQESA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1CCC(C)(C)CC1 ZINC000164481315 384998928 /nfs/dbraw/zinc/99/89/28/384998928.db2.gz ZLBAHZBEWQNWTB-SECBINFHSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cncs2)c(C)c1 ZINC000164495160 385001885 /nfs/dbraw/zinc/00/18/85/385001885.db2.gz BJLVPXBRSCBRKT-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cncs2)c(C)c1 ZINC000164495279 385001980 /nfs/dbraw/zinc/00/19/80/385001980.db2.gz BJLVPXBRSCBRKT-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000164499022 203138414 /nfs/dbraw/zinc/13/84/14/203138414.db2.gz JCCKQRLUSVSNRZ-OLZOCXBDSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000164499158 203138236 /nfs/dbraw/zinc/13/82/36/203138236.db2.gz JCCKQRLUSVSNRZ-STQMWFEESA-N 1 0 211.393 3.981 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000164499283 203138545 /nfs/dbraw/zinc/13/85/45/203138545.db2.gz JCCKQRLUSVSNRZ-CHWSQXEVSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000164499401 203138568 /nfs/dbraw/zinc/13/85/68/203138568.db2.gz JCCKQRLUSVSNRZ-QWHCGFSZSA-N 1 0 211.393 3.981 20 0 BHADRO Cc1ccoc1C[NH2+]CCCCC(C)(C)C ZINC000164499531 203138274 /nfs/dbraw/zinc/13/82/74/203138274.db2.gz SUKJFJKSMKLUPK-UHFFFAOYSA-N 1 0 223.360 3.894 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)c(C)c1 ZINC000164514998 203151291 /nfs/dbraw/zinc/15/12/91/203151291.db2.gz YOQAOTQYCKBBLV-NSHDSACASA-N 1 0 245.288 3.734 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)c(C)c1 ZINC000164515089 203151830 /nfs/dbraw/zinc/15/18/30/203151830.db2.gz YOQAOTQYCKBBLV-LLVKDONJSA-N 1 0 245.288 3.734 20 0 BHADRO Cc1ccoc1C[NH2+]C1(C)CCC(C)CC1 ZINC000164539667 135394379 /nfs/dbraw/zinc/39/43/79/135394379.db2.gz XAVROZYHANRVEJ-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ncsc1C[NH2+]C1(C)CCC(C)CC1 ZINC000164539818 203170007 /nfs/dbraw/zinc/17/00/07/203170007.db2.gz LGLNSYDOPWPHRU-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCSCC[NH2+][C@@H](CC)c1cccs1 ZINC000164556128 203180749 /nfs/dbraw/zinc/18/07/49/203180749.db2.gz DFBQHXTWLKENDF-JTQLQIEISA-N 1 0 229.414 3.542 20 0 BHADRO CCSCC[NH2+][C@H](CC)c1cccs1 ZINC000164556256 203180865 /nfs/dbraw/zinc/18/08/65/203180865.db2.gz DFBQHXTWLKENDF-SNVBAGLBSA-N 1 0 229.414 3.542 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)c(C)o1 ZINC000164575561 640491556 /nfs/dbraw/zinc/49/15/56/640491556.db2.gz GMYAQVLLNSVCFF-IINYFYTJSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)c(C)o1 ZINC000164575677 640492125 /nfs/dbraw/zinc/49/21/25/640492125.db2.gz GMYAQVLLNSVCFF-HZMBPMFUSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c(C)o1 ZINC000164575785 640491304 /nfs/dbraw/zinc/49/13/04/640491304.db2.gz GMYAQVLLNSVCFF-QMTHXVAHSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)c(C)o1 ZINC000164575892 640491975 /nfs/dbraw/zinc/49/19/75/640491975.db2.gz GMYAQVLLNSVCFF-YGRLFVJLSA-N 1 0 221.344 3.565 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000164591109 203200075 /nfs/dbraw/zinc/20/00/75/203200075.db2.gz JLEUHOQGLSZTIH-QWHCGFSZSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000164591231 203199718 /nfs/dbraw/zinc/19/97/18/203199718.db2.gz JLEUHOQGLSZTIH-STQMWFEESA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000164591353 203199709 /nfs/dbraw/zinc/19/97/09/203199709.db2.gz JLEUHOQGLSZTIH-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000164591466 323169615 /nfs/dbraw/zinc/16/96/15/323169615.db2.gz JLEUHOQGLSZTIH-OLZOCXBDSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000164593496 386095468 /nfs/dbraw/zinc/09/54/68/386095468.db2.gz QDKLHOSQCPFSPG-PQAZSJQKSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000164593615 386094775 /nfs/dbraw/zinc/09/47/75/386094775.db2.gz QDKLHOSQCPFSPG-HOAMVYINSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000164593728 411517086 /nfs/dbraw/zinc/51/70/86/411517086.db2.gz QDKLHOSQCPFSPG-NWINJMCUSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000164593840 386080921 /nfs/dbraw/zinc/08/09/21/386080921.db2.gz QDKLHOSQCPFSPG-CLRIEMFWSA-N 1 0 241.444 3.829 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000164600132 203203113 /nfs/dbraw/zinc/20/31/13/203203113.db2.gz WKWKGMQJXDTSQC-LBPRGKRZSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000164600262 203203318 /nfs/dbraw/zinc/20/33/18/203203318.db2.gz WKWKGMQJXDTSQC-GFCCVEGCSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ncsc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000164600400 386084807 /nfs/dbraw/zinc/08/48/07/386084807.db2.gz RZWAEOTZGILWJP-JTQLQIEISA-N 1 0 240.416 3.756 20 0 BHADRO Cc1ncsc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000164600516 386084527 /nfs/dbraw/zinc/08/45/27/386084527.db2.gz RZWAEOTZGILWJP-SNVBAGLBSA-N 1 0 240.416 3.756 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC000164636546 372176108 /nfs/dbraw/zinc/17/61/08/372176108.db2.gz UAIHBZYPDHYKGT-OLZOCXBDSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC000164636648 372176096 /nfs/dbraw/zinc/17/60/96/372176096.db2.gz UAIHBZYPDHYKGT-STQMWFEESA-N 1 0 211.393 3.981 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC000164636758 361782077 /nfs/dbraw/zinc/78/20/77/361782077.db2.gz UAIHBZYPDHYKGT-CHWSQXEVSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC000164636872 372175534 /nfs/dbraw/zinc/17/55/34/372175534.db2.gz UAIHBZYPDHYKGT-QWHCGFSZSA-N 1 0 211.393 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CCC1 ZINC000164646706 538934213 /nfs/dbraw/zinc/93/42/13/538934213.db2.gz ZLBIRLCRMXOBBT-UHXUPSOCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cscn1 ZINC000164648439 364773210 /nfs/dbraw/zinc/77/32/10/364773210.db2.gz BVFGBVJUIRLOBT-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1cscn1 ZINC000164648564 364772866 /nfs/dbraw/zinc/77/28/66/364772866.db2.gz BVFGBVJUIRLOBT-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cncs1 ZINC000164648857 386175073 /nfs/dbraw/zinc/17/50/73/386175073.db2.gz JRIVIFQFQHDBKD-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1cncs1 ZINC000164648970 386174955 /nfs/dbraw/zinc/17/49/55/386174955.db2.gz JRIVIFQFQHDBKD-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000164677430 538934186 /nfs/dbraw/zinc/93/41/86/538934186.db2.gz FUVBHARLRLCTGL-ZDUSSCGKSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000164677545 582948045 /nfs/dbraw/zinc/94/80/45/582948045.db2.gz FUVBHARLRLCTGL-CYBMUJFWSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cncc2ccccc21 ZINC000164677674 633081244 /nfs/dbraw/zinc/08/12/44/633081244.db2.gz FJPOKWSKTBNKEN-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO C[C@@H]([NH2+]Cc1cncc2ccccc21)C(C)(C)C ZINC000164689474 636000380 /nfs/dbraw/zinc/00/03/80/636000380.db2.gz OBKMDKLHBNBAHM-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO CSC[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000164712640 135437951 /nfs/dbraw/zinc/43/79/51/135437951.db2.gz XHIXBWDOLPDTCW-JTQLQIEISA-N 1 0 249.379 3.582 20 0 BHADRO CSC[C@@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000164712782 386261332 /nfs/dbraw/zinc/26/13/32/386261332.db2.gz XHIXBWDOLPDTCW-SNVBAGLBSA-N 1 0 249.379 3.582 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000164713776 135437854 /nfs/dbraw/zinc/43/78/54/135437854.db2.gz IWLLVWUAGQTDFC-CYZMBNFOSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000164714033 386262033 /nfs/dbraw/zinc/26/20/33/386262033.db2.gz IWLLVWUAGQTDFC-RAIGVLPGSA-N 1 0 221.344 3.502 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000164715001 388247275 /nfs/dbraw/zinc/24/72/75/388247275.db2.gz QMPMBLSVWXCSSM-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000164715224 386261237 /nfs/dbraw/zinc/26/12/37/386261237.db2.gz QMPMBLSVWXCSSM-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccnc1Cl ZINC000164739733 711825227 /nfs/dbraw/zinc/82/52/27/711825227.db2.gz UOFAMURKNIIUIH-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CCC1([NH2+]Cc2cncc3ccccc32)CCC1 ZINC000164749565 640505003 /nfs/dbraw/zinc/50/50/03/640505003.db2.gz YTHPNIDSAXKWIX-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1CC=CC1 ZINC000164762352 538934192 /nfs/dbraw/zinc/93/41/92/538934192.db2.gz ANCYJPBTFKVQKM-UHFFFAOYSA-N 1 0 227.307 3.549 20 0 BHADRO FC(F)(F)c1ccccc1C[NH2+]C1CC=CC1 ZINC000164762474 538933904 /nfs/dbraw/zinc/93/39/04/538933904.db2.gz KGMJMKKBWMIGNZ-UHFFFAOYSA-N 1 0 241.256 3.514 20 0 BHADRO C[C@@H]([NH2+]Cc1cncc2ccccc21)C1CCC1 ZINC000164781899 636002177 /nfs/dbraw/zinc/00/21/77/636002177.db2.gz FNQJEXIGMYYNRO-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000164782179 355402888 /nfs/dbraw/zinc/40/28/88/355402888.db2.gz IWWHHEHPUSXUHF-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000164782292 355404088 /nfs/dbraw/zinc/40/40/88/355404088.db2.gz IWWHHEHPUSXUHF-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000164782398 355403937 /nfs/dbraw/zinc/40/39/37/355403937.db2.gz IWWHHEHPUSXUHF-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000164782515 355407460 /nfs/dbraw/zinc/40/74/60/355407460.db2.gz IWWHHEHPUSXUHF-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)Cc1cccs1 ZINC000164786588 355409239 /nfs/dbraw/zinc/40/92/39/355409239.db2.gz HJWGERBFKUXGRE-NSHDSACASA-N 1 0 225.401 3.562 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)Cc1cccs1 ZINC000164786685 355409080 /nfs/dbraw/zinc/40/90/80/355409080.db2.gz HJWGERBFKUXGRE-LLVKDONJSA-N 1 0 225.401 3.562 20 0 BHADRO CCSCC[NH2+][C@@H](C)CCCC(C)C ZINC000164787262 203379640 /nfs/dbraw/zinc/37/96/40/203379640.db2.gz RISMBFYNWNZBLW-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCC[NH2+][C@H](C)CCCC(C)C ZINC000164787336 203380131 /nfs/dbraw/zinc/38/01/31/203380131.db2.gz RISMBFYNWNZBLW-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCSCC ZINC000164788387 711825391 /nfs/dbraw/zinc/82/53/91/711825391.db2.gz YQGJBZRZUNRBJL-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCSCC ZINC000164788503 711825410 /nfs/dbraw/zinc/82/54/10/711825410.db2.gz YQGJBZRZUNRBJL-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000164789761 203380866 /nfs/dbraw/zinc/38/08/66/203380866.db2.gz KZOGPCDNFOBUIL-ZNSHCXBVSA-N 1 0 237.309 3.742 20 0 BHADRO CCSCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000164797426 203382020 /nfs/dbraw/zinc/38/20/20/203382020.db2.gz HETSFAYUYXORFK-UHFFFAOYSA-N 1 0 237.412 3.653 20 0 BHADRO CCSCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000164801701 203381962 /nfs/dbraw/zinc/38/19/62/203381962.db2.gz DZJAWYFXHIADPZ-CYBMUJFWSA-N 1 0 237.412 3.523 20 0 BHADRO CCSCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000164801821 203381879 /nfs/dbraw/zinc/38/18/79/203381879.db2.gz DZJAWYFXHIADPZ-ZDUSSCGKSA-N 1 0 237.412 3.523 20 0 BHADRO CCSCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000164802783 203382017 /nfs/dbraw/zinc/38/20/17/203382017.db2.gz FOTCGZJPFORQMW-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000164802900 203381521 /nfs/dbraw/zinc/38/15/21/203381521.db2.gz FOTCGZJPFORQMW-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000164803019 203381934 /nfs/dbraw/zinc/38/19/34/203381934.db2.gz FOTCGZJPFORQMW-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000164803126 203381558 /nfs/dbraw/zinc/38/15/58/203381558.db2.gz FOTCGZJPFORQMW-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO Cc1cnc(C[NH2+]C2CCC(C)(C)CC2)s1 ZINC000164839526 386331305 /nfs/dbraw/zinc/33/13/05/386331305.db2.gz YSFWYJBCNAZZGN-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CCC1CCC([NH2+]Cc2ncc(C)s2)CC1 ZINC000164842367 386335690 /nfs/dbraw/zinc/33/56/90/386335690.db2.gz HEKCYAOHPXMUCC-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000164843125 386334283 /nfs/dbraw/zinc/33/42/83/386334283.db2.gz IQTYQHYVGXIFQN-NEPJUHHUSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000164843220 386334181 /nfs/dbraw/zinc/33/41/81/386334181.db2.gz IQTYQHYVGXIFQN-RYUDHWBXSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000164843350 386334275 /nfs/dbraw/zinc/33/42/75/386334275.db2.gz IQTYQHYVGXIFQN-VXGBXAGGSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000164843444 386335097 /nfs/dbraw/zinc/33/50/97/386335097.db2.gz IQTYQHYVGXIFQN-NWDGAFQWSA-N 1 0 238.400 3.510 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000164870683 203381873 /nfs/dbraw/zinc/38/18/73/203381873.db2.gz ANVHWVZVOUUFIW-CQSZACIVSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000164870818 203382022 /nfs/dbraw/zinc/38/20/22/203382022.db2.gz ANVHWVZVOUUFIW-AWEZNQCLSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000164871978 203381634 /nfs/dbraw/zinc/38/16/34/203381634.db2.gz FRBCTPZPALSGBA-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000164872102 203381978 /nfs/dbraw/zinc/38/19/78/203381978.db2.gz FRBCTPZPALSGBA-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000164879944 326418163 /nfs/dbraw/zinc/41/81/63/326418163.db2.gz UZEKIAGDTIQSCT-UHFFFAOYSA-N 1 0 231.295 3.572 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)Sc1ccccc1 ZINC000164899937 342854198 /nfs/dbraw/zinc/85/41/98/342854198.db2.gz PZQFXMCYLVVDAJ-LBPRGKRZSA-N 1 0 237.412 3.803 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)Sc1ccccc1 ZINC000164900043 342854172 /nfs/dbraw/zinc/85/41/72/342854172.db2.gz PZQFXMCYLVVDAJ-GFCCVEGCSA-N 1 0 237.412 3.803 20 0 BHADRO CCc1cnc(C[NH2+]C2CCCCCC2)s1 ZINC000164907426 386426813 /nfs/dbraw/zinc/42/68/13/386426813.db2.gz GVPRAXKVJKJCIW-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCC(CC)(C[NH2+]C1CCCCC1)SC ZINC000164917704 640518353 /nfs/dbraw/zinc/51/83/53/640518353.db2.gz DHJRTVRHGSBXBG-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccsc1)SC ZINC000164917836 640518926 /nfs/dbraw/zinc/51/89/26/640518926.db2.gz OOFSPGYAOUXUHI-UHFFFAOYSA-N 1 0 243.441 3.760 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C)C1)SC ZINC000164917960 640519138 /nfs/dbraw/zinc/51/91/38/640519138.db2.gz MBQGKPGKTQGIDD-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@H](C)C1)SC ZINC000164918078 640519605 /nfs/dbraw/zinc/51/96/05/640519605.db2.gz MBQGKPGKTQGIDD-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C)C1)SC ZINC000164918201 640519650 /nfs/dbraw/zinc/51/96/50/640519650.db2.gz MBQGKPGKTQGIDD-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@@H](C)C1)SC ZINC000164918332 640518545 /nfs/dbraw/zinc/51/85/45/640518545.db2.gz MBQGKPGKTQGIDD-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+]Cc1occc1C)SC ZINC000164918461 640517582 /nfs/dbraw/zinc/51/75/82/640517582.db2.gz WGWRLVQKTWDMAN-UHFFFAOYSA-N 1 0 241.400 3.599 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccccc1)SC ZINC000164918732 640519069 /nfs/dbraw/zinc/51/90/69/640519069.db2.gz MQIYPNXHGDWQEG-UHFFFAOYSA-N 1 0 237.412 3.698 20 0 BHADRO CCC(CC)(C[NH2+]CC(C)(C)C)SC ZINC000164919962 640519743 /nfs/dbraw/zinc/51/97/43/640519743.db2.gz GDUQPKBRKXJULW-UHFFFAOYSA-N 1 0 217.422 3.544 20 0 BHADRO CCC(CC)(C[NH2+]Cc1cccs1)SC ZINC000164921636 640519304 /nfs/dbraw/zinc/51/93/04/640519304.db2.gz PJLGFLTYKYWLQI-UHFFFAOYSA-N 1 0 243.441 3.760 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccc(C)o1)SC ZINC000164922671 640517853 /nfs/dbraw/zinc/51/78/53/640517853.db2.gz BVZXAKVRZDYBFQ-UHFFFAOYSA-N 1 0 241.400 3.599 20 0 BHADRO c1coc(C[NH2+]CCCCC2CCCC2)c1 ZINC000164926700 203381844 /nfs/dbraw/zinc/38/18/44/203381844.db2.gz FFKBOCXCMKJSFT-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO c1cc(C[NH2+]CCCCC2CCCC2)co1 ZINC000164926825 640518573 /nfs/dbraw/zinc/51/85/73/640518573.db2.gz IDIOULDAMPHZLU-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CC(C)[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000164937539 345738927 /nfs/dbraw/zinc/73/89/27/345738927.db2.gz WIMGZCMMUMDSLA-UHFFFAOYSA-N 1 0 239.362 3.948 20 0 BHADRO C[C@@H](CC1CC1)Nc1ccc(N2CCCC2)cc1 ZINC000164982802 640525699 /nfs/dbraw/zinc/52/56/99/640525699.db2.gz MQCAJDGQZPCHAU-ZDUSSCGKSA-N 1 0 244.382 3.887 20 0 BHADRO CCC[C@H]([NH2+]CCCCOCC)c1ccccc1 ZINC000165070834 388250600 /nfs/dbraw/zinc/25/06/00/388250600.db2.gz ZERKHPCBZVGSCK-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOCC)c1ccccc1 ZINC000165070947 388250505 /nfs/dbraw/zinc/25/05/05/388250505.db2.gz ZERKHPCBZVGSCK-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO CSc1ccc(F)cc1C[NH2+]C1CCCC1 ZINC000165071118 640531705 /nfs/dbraw/zinc/53/17/05/640531705.db2.gz ZVWYLEGFDYZMDQ-UHFFFAOYSA-N 1 0 239.359 3.580 20 0 BHADRO CSc1ccc(F)cc1C[NH2+]CC(C)(C)C ZINC000165071245 342873748 /nfs/dbraw/zinc/87/37/48/342873748.db2.gz JHSHIRDJJRQRDB-UHFFFAOYSA-N 1 0 241.375 3.683 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000165072415 170369963 /nfs/dbraw/zinc/36/99/63/170369963.db2.gz KAUKCBWJLMCKMS-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000165072534 170369698 /nfs/dbraw/zinc/36/96/98/170369698.db2.gz KAUKCBWJLMCKMS-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000165072662 326358380 /nfs/dbraw/zinc/35/83/80/326358380.db2.gz YTEBPYIXMWNPRM-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000165072777 326358390 /nfs/dbraw/zinc/35/83/90/326358390.db2.gz YTEBPYIXMWNPRM-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000165084858 388390300 /nfs/dbraw/zinc/39/03/00/388390300.db2.gz MHZPTLOMRJMKHM-CQSZACIVSA-N 1 0 249.398 3.716 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000165084956 326419424 /nfs/dbraw/zinc/41/94/24/326419424.db2.gz MHZPTLOMRJMKHM-AWEZNQCLSA-N 1 0 249.398 3.716 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000165085551 388250014 /nfs/dbraw/zinc/25/00/14/388250014.db2.gz BDCRQDHDFOKARP-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000165085674 388250023 /nfs/dbraw/zinc/25/00/23/388250023.db2.gz BDCRQDHDFOKARP-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000165091835 170369865 /nfs/dbraw/zinc/36/98/65/170369865.db2.gz IVRJUPPJVBQUHX-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000165091954 170369148 /nfs/dbraw/zinc/36/91/48/170369148.db2.gz IVRJUPPJVBQUHX-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000165096423 170369352 /nfs/dbraw/zinc/36/93/52/170369352.db2.gz ZTJGQFJBTGLSPM-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)c1ccccc1 ZINC000165096549 170369429 /nfs/dbraw/zinc/36/94/29/170369429.db2.gz ZTJGQFJBTGLSPM-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000165098102 326419400 /nfs/dbraw/zinc/41/94/00/326419400.db2.gz JOGCYTMEODODJK-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000165098225 388390204 /nfs/dbraw/zinc/39/02/04/388390204.db2.gz JOGCYTMEODODJK-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000165106742 388391391 /nfs/dbraw/zinc/39/13/91/388391391.db2.gz UCTXHZJBNFIYRN-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000165106814 326419470 /nfs/dbraw/zinc/41/94/70/326419470.db2.gz UCTXHZJBNFIYRN-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000165106892 388391320 /nfs/dbraw/zinc/39/13/20/388391320.db2.gz UCTXHZJBNFIYRN-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000165106990 326419359 /nfs/dbraw/zinc/41/93/59/326419359.db2.gz UCTXHZJBNFIYRN-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000165107887 170369634 /nfs/dbraw/zinc/36/96/34/170369634.db2.gz NPQRNDLYKNJCSQ-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000165107963 170369343 /nfs/dbraw/zinc/36/93/43/170369343.db2.gz NPQRNDLYKNJCSQ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)c1cccs1 ZINC000165109262 206139674 /nfs/dbraw/zinc/13/96/74/206139674.db2.gz DXXGDTBMSLZQNM-LBPRGKRZSA-N 1 0 241.400 3.606 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)c1cccs1 ZINC000165109389 385070794 /nfs/dbraw/zinc/07/07/94/385070794.db2.gz DXXGDTBMSLZQNM-GFCCVEGCSA-N 1 0 241.400 3.606 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000165132984 170369410 /nfs/dbraw/zinc/36/94/10/170369410.db2.gz XSBKJLNBLDIVEA-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000165133090 170369880 /nfs/dbraw/zinc/36/98/80/170369880.db2.gz XSBKJLNBLDIVEA-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000165157102 326419743 /nfs/dbraw/zinc/41/97/43/326419743.db2.gz JWUVPFAIRYVFCG-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)C1CCCCC1 ZINC000165157229 388392616 /nfs/dbraw/zinc/39/26/16/388392616.db2.gz JWUVPFAIRYVFCG-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO CCC1([NH2+]Cc2cc(C)ccc2F)CCC1 ZINC000165169764 206139104 /nfs/dbraw/zinc/13/91/04/206139104.db2.gz SYFSGQGJSACGFK-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000165177654 345738797 /nfs/dbraw/zinc/73/87/97/345738797.db2.gz NDRJADMZBGCVIB-HNNXBMFYSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000165177762 345738643 /nfs/dbraw/zinc/73/86/43/345738643.db2.gz NDRJADMZBGCVIB-OAHLLOKOSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000165177903 345739016 /nfs/dbraw/zinc/73/90/16/345739016.db2.gz CNOIDYXZYNKDMI-UHFFFAOYSA-N 1 0 217.356 3.555 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000165204429 206139748 /nfs/dbraw/zinc/13/97/48/206139748.db2.gz HTWAIVGVHKMJGR-CQSZACIVSA-N 1 0 221.319 3.593 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000165204562 206139368 /nfs/dbraw/zinc/13/93/68/206139368.db2.gz HTWAIVGVHKMJGR-AWEZNQCLSA-N 1 0 221.319 3.593 20 0 BHADRO CCOCc1ccccc1C[NH2+]CCCC(C)C ZINC000165205930 206139680 /nfs/dbraw/zinc/13/96/80/206139680.db2.gz IUKZEIUQOCEGLY-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CC(C)CC[N@H+](Cc1ccccc1)C(C)C ZINC000165215092 538935194 /nfs/dbraw/zinc/93/51/94/538935194.db2.gz RNXBLJFQPQQSST-UHFFFAOYSA-N 1 0 219.372 3.943 20 0 BHADRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)C(C)C)c21 ZINC000165233392 388394304 /nfs/dbraw/zinc/39/43/04/388394304.db2.gz ITKGJAWFQZULCK-ZDUSSCGKSA-N 1 0 244.382 3.653 20 0 BHADRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)C(C)C)c21 ZINC000165233516 388393427 /nfs/dbraw/zinc/39/34/27/388393427.db2.gz ITKGJAWFQZULCK-CYBMUJFWSA-N 1 0 244.382 3.653 20 0 BHADRO CC(C)CCC[NH2+]CCc1cc(F)cc(F)c1 ZINC000165237639 203383952 /nfs/dbraw/zinc/38/39/52/203383952.db2.gz XCZVBHYLAIDELA-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000165238455 640549376 /nfs/dbraw/zinc/54/93/76/640549376.db2.gz DMXVAEVEQFPTQL-QWHCGFSZSA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000165238546 640549848 /nfs/dbraw/zinc/54/98/48/640549848.db2.gz DMXVAEVEQFPTQL-STQMWFEESA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000165238610 640550523 /nfs/dbraw/zinc/55/05/23/640550523.db2.gz DMXVAEVEQFPTQL-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000165238698 640550717 /nfs/dbraw/zinc/55/07/17/640550717.db2.gz DMXVAEVEQFPTQL-OLZOCXBDSA-N 1 0 227.417 3.583 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000165239842 326420051 /nfs/dbraw/zinc/42/00/51/326420051.db2.gz UWAUYOKPJIZXHL-CYBMUJFWSA-N 1 0 244.382 3.797 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000165239955 384562382 /nfs/dbraw/zinc/56/23/82/384562382.db2.gz UWAUYOKPJIZXHL-ZDUSSCGKSA-N 1 0 244.382 3.797 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000165240192 342888370 /nfs/dbraw/zinc/88/83/70/342888370.db2.gz DFLODLYYMJMQAK-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000165240308 342888439 /nfs/dbraw/zinc/88/84/39/342888439.db2.gz DFLODLYYMJMQAK-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000165240433 342888411 /nfs/dbraw/zinc/88/84/11/342888411.db2.gz DFLODLYYMJMQAK-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000165240568 342888333 /nfs/dbraw/zinc/88/83/33/342888333.db2.gz DFLODLYYMJMQAK-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccco1 ZINC000165245982 203383423 /nfs/dbraw/zinc/38/34/23/203383423.db2.gz FGUNDUUYQOXDEL-GFCCVEGCSA-N 1 0 209.333 3.728 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccco1 ZINC000165246091 203383764 /nfs/dbraw/zinc/38/37/64/203383764.db2.gz FGUNDUUYQOXDEL-LBPRGKRZSA-N 1 0 209.333 3.728 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cscn1 ZINC000165246218 361836475 /nfs/dbraw/zinc/83/64/75/361836475.db2.gz GLCSTNWXIALDAI-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cscn1 ZINC000165246349 169002730 /nfs/dbraw/zinc/00/27/30/169002730.db2.gz GLCSTNWXIALDAI-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccccn1 ZINC000165247270 346646049 /nfs/dbraw/zinc/64/60/49/346646049.db2.gz JIFOEWZWEZMNEH-CYBMUJFWSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccccn1 ZINC000165247407 169000815 /nfs/dbraw/zinc/00/08/15/169000815.db2.gz JIFOEWZWEZMNEH-ZDUSSCGKSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cccnc1 ZINC000165247535 346646176 /nfs/dbraw/zinc/64/61/76/346646176.db2.gz ZDELTGHRCKIWIP-CQSZACIVSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cccnc1 ZINC000165247660 169001701 /nfs/dbraw/zinc/00/17/01/169001701.db2.gz ZDELTGHRCKIWIP-AWEZNQCLSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1nc(C)cs1 ZINC000165248539 203383831 /nfs/dbraw/zinc/38/38/31/203383831.db2.gz ZRJRYPSKVMKOTJ-GFCCVEGCSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1nc(C)cs1 ZINC000165248649 385093078 /nfs/dbraw/zinc/09/30/78/385093078.db2.gz ZRJRYPSKVMKOTJ-LBPRGKRZSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccncc1 ZINC000165248786 346646058 /nfs/dbraw/zinc/64/60/58/346646058.db2.gz MWXAPUAAVFNCCW-CQSZACIVSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccncc1 ZINC000165248892 169001264 /nfs/dbraw/zinc/00/12/64/169001264.db2.gz MWXAPUAAVFNCCW-AWEZNQCLSA-N 1 0 220.360 3.530 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1csc(C)n1 ZINC000165249014 203383453 /nfs/dbraw/zinc/38/34/53/203383453.db2.gz ZBLGYXZOLDJPNS-GFCCVEGCSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1csc(C)n1 ZINC000165249127 203384193 /nfs/dbraw/zinc/38/41/93/203384193.db2.gz ZBLGYXZOLDJPNS-LBPRGKRZSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cnc(C)s1 ZINC000165249256 203383838 /nfs/dbraw/zinc/38/38/38/203383838.db2.gz WTPUHNVMKNDOIG-GFCCVEGCSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cnc(C)s1 ZINC000165249383 203383241 /nfs/dbraw/zinc/38/32/41/203383241.db2.gz WTPUHNVMKNDOIG-LBPRGKRZSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccoc1 ZINC000165250026 640553336 /nfs/dbraw/zinc/55/33/36/640553336.db2.gz HQDNXBXPMZMKAM-CYBMUJFWSA-N 1 0 209.333 3.728 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccoc1 ZINC000165250151 640553254 /nfs/dbraw/zinc/55/32/54/640553254.db2.gz HQDNXBXPMZMKAM-ZDUSSCGKSA-N 1 0 209.333 3.728 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1scnc1C ZINC000165250268 203384159 /nfs/dbraw/zinc/38/41/59/203384159.db2.gz ZSLLABOQEQCJEL-GFCCVEGCSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1scnc1C ZINC000165250394 203383214 /nfs/dbraw/zinc/38/32/14/203383214.db2.gz ZSLLABOQEQCJEL-LBPRGKRZSA-N 1 0 240.416 3.900 20 0 BHADRO C[C@H]([NH2+]CCCSc1ccccc1)C1CC1 ZINC000165251328 203383999 /nfs/dbraw/zinc/38/39/99/203383999.db2.gz BIQOFVKUUSZPFS-LBPRGKRZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]([NH2+]CCCSc1ccccc1)C1CC1 ZINC000165251439 203383489 /nfs/dbraw/zinc/38/34/89/203383489.db2.gz BIQOFVKUUSZPFS-GFCCVEGCSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)C)c1nccs1 ZINC000165251477 361836392 /nfs/dbraw/zinc/83/63/92/361836392.db2.gz ZCJYKMNXSNNWGO-NSHDSACASA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)C)c1nccs1 ZINC000165251595 353266052 /nfs/dbraw/zinc/26/60/52/353266052.db2.gz ZCJYKMNXSNNWGO-LLVKDONJSA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000165251800 203382861 /nfs/dbraw/zinc/38/28/61/203382861.db2.gz PTNKUQMIXZWLKQ-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000165251913 203382784 /nfs/dbraw/zinc/38/27/84/203382784.db2.gz PTNKUQMIXZWLKQ-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCC(C)C)n1 ZINC000165251955 361837046 /nfs/dbraw/zinc/83/70/46/361837046.db2.gz WBPPEGGXTHOMIW-LLVKDONJSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000165252036 203382375 /nfs/dbraw/zinc/38/23/75/203382375.db2.gz PTNKUQMIXZWLKQ-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCC(C)C)n1 ZINC000165252080 361836228 /nfs/dbraw/zinc/83/62/28/361836228.db2.gz WBPPEGGXTHOMIW-NSHDSACASA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000165252147 203382200 /nfs/dbraw/zinc/38/22/00/203382200.db2.gz PTNKUQMIXZWLKQ-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)C1CC1 ZINC000165256529 387098240 /nfs/dbraw/zinc/09/82/40/387098240.db2.gz JNIPMJDCUFBOOJ-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)C1CC1 ZINC000165256658 203383616 /nfs/dbraw/zinc/38/36/16/203383616.db2.gz JNIPMJDCUFBOOJ-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC(CC)[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000165263563 388395135 /nfs/dbraw/zinc/39/51/35/388395135.db2.gz VRIYQPJJILNDPE-UHFFFAOYSA-N 1 0 244.382 3.797 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCc1ccc(C)cc1 ZINC000165270656 342893540 /nfs/dbraw/zinc/89/35/40/342893540.db2.gz BTEQGVNGPWUDHG-MRXNPFEDSA-N 1 0 231.383 3.802 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCc1ccc(C)cc1 ZINC000165270774 343551613 /nfs/dbraw/zinc/55/16/13/343551613.db2.gz BTEQGVNGPWUDHG-INIZCTEOSA-N 1 0 231.383 3.802 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC000165274087 203382880 /nfs/dbraw/zinc/38/28/80/203382880.db2.gz VSWIYFBENPFAKW-LKFCYVNXSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC000165274198 203382190 /nfs/dbraw/zinc/38/21/90/203382190.db2.gz VSWIYFBENPFAKW-YMTOWFKASA-N 1 0 235.758 3.715 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1CC1 ZINC000165274310 203383083 /nfs/dbraw/zinc/38/30/83/203383083.db2.gz VSWIYFBENPFAKW-XPTSAGLGSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1CC1 ZINC000165274431 203383358 /nfs/dbraw/zinc/38/33/58/203383358.db2.gz VSWIYFBENPFAKW-OTYXRUKQSA-N 1 0 235.758 3.715 20 0 BHADRO Cc1cscc1C[NH2+]CCCC(C)C ZINC000165276866 179805177 /nfs/dbraw/zinc/80/51/77/179805177.db2.gz CPLFXTYITXOBCY-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000165291361 388396796 /nfs/dbraw/zinc/39/67/96/388396796.db2.gz QDEMDYPWZSEQAE-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000165291619 326420122 /nfs/dbraw/zinc/42/01/22/326420122.db2.gz QDEMDYPWZSEQAE-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000165294865 203383841 /nfs/dbraw/zinc/38/38/41/203383841.db2.gz NSSVFRJLOGCEFG-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000165294988 203383580 /nfs/dbraw/zinc/38/35/80/203383580.db2.gz NSSVFRJLOGCEFG-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000165297149 353284442 /nfs/dbraw/zinc/28/44/42/353284442.db2.gz QUZFNZKABYSTMO-ZETOZRRWSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)c2ccccc21)C1CC1 ZINC000165297273 203383919 /nfs/dbraw/zinc/38/39/19/203383919.db2.gz QUZFNZKABYSTMO-PGUXBMHVSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000165297407 353284439 /nfs/dbraw/zinc/28/44/39/353284439.db2.gz QUZFNZKABYSTMO-JRPNMDOOSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2ccccc21)C1CC1 ZINC000165297514 203383319 /nfs/dbraw/zinc/38/33/19/203383319.db2.gz QUZFNZKABYSTMO-ZIBATOQPSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000165316179 203383483 /nfs/dbraw/zinc/38/34/83/203383483.db2.gz SNGVDXIQLKTQLT-JTQLQIEISA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000165316291 203383648 /nfs/dbraw/zinc/38/36/48/203383648.db2.gz SNGVDXIQLKTQLT-SNVBAGLBSA-N 1 0 235.758 3.717 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000165317132 345720621 /nfs/dbraw/zinc/72/06/21/345720621.db2.gz GRHIAAYBNLPDTP-UHFFFAOYSA-N 1 0 232.154 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c1C ZINC000165329603 203383199 /nfs/dbraw/zinc/38/31/99/203383199.db2.gz ALSJCUGTCRJOKK-QWHCGFSZSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C2CC2)c1C ZINC000165329732 203383301 /nfs/dbraw/zinc/38/33/01/203383301.db2.gz ALSJCUGTCRJOKK-STQMWFEESA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C2CC2)c1C ZINC000165329853 203382183 /nfs/dbraw/zinc/38/21/83/203382183.db2.gz ALSJCUGTCRJOKK-CHWSQXEVSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C2CC2)c1C ZINC000165329978 203383623 /nfs/dbraw/zinc/38/36/23/203383623.db2.gz ALSJCUGTCRJOKK-OLZOCXBDSA-N 1 0 217.356 3.753 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CCC1 ZINC000165331482 353303043 /nfs/dbraw/zinc/30/30/43/353303043.db2.gz UWFKQRHUXYFSMQ-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CCC1 ZINC000165331604 353302917 /nfs/dbraw/zinc/30/29/17/353302917.db2.gz UWFKQRHUXYFSMQ-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)C2CC2)cs1 ZINC000165341959 203384137 /nfs/dbraw/zinc/38/41/37/203384137.db2.gz OQNHDRCDRLNTBT-VHSXEESVSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@@H](C)C2CC2)cs1 ZINC000165342077 203383634 /nfs/dbraw/zinc/38/36/34/203383634.db2.gz OQNHDRCDRLNTBT-UWVGGRQHSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)C2CC2)cs1 ZINC000165342174 203382606 /nfs/dbraw/zinc/38/26/06/203382606.db2.gz OQNHDRCDRLNTBT-NXEZZACHSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@H](C)C2CC2)cs1 ZINC000165342288 203383791 /nfs/dbraw/zinc/38/37/91/203383791.db2.gz OQNHDRCDRLNTBT-ZJUUUORDSA-N 1 0 238.400 3.716 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](O)C(C)C)c1ccccc1 ZINC000165350245 353308560 /nfs/dbraw/zinc/30/85/60/353308560.db2.gz DITFMOXAGVNDLU-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](O)C(C)C)c1ccccc1 ZINC000165350366 353308480 /nfs/dbraw/zinc/30/84/80/353308480.db2.gz DITFMOXAGVNDLU-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](O)C(C)C)c1ccccc1 ZINC000165350493 353308326 /nfs/dbraw/zinc/30/83/26/353308326.db2.gz DITFMOXAGVNDLU-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](O)C(C)C)c1ccccc1 ZINC000165350625 353308272 /nfs/dbraw/zinc/30/82/72/353308272.db2.gz DITFMOXAGVNDLU-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000165357046 203382872 /nfs/dbraw/zinc/38/28/72/203382872.db2.gz TYGUCLNMGBAAPD-NWDGAFQWSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000165357174 203383628 /nfs/dbraw/zinc/38/36/28/203383628.db2.gz TYGUCLNMGBAAPD-VXGBXAGGSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000165357290 203382549 /nfs/dbraw/zinc/38/25/49/203382549.db2.gz TYGUCLNMGBAAPD-RYUDHWBXSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000165357409 203383513 /nfs/dbraw/zinc/38/35/13/203383513.db2.gz TYGUCLNMGBAAPD-NEPJUHHUSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000165366825 203383738 /nfs/dbraw/zinc/38/37/38/203383738.db2.gz CPBFAZRAKUGCNY-JTQLQIEISA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000165366924 203383355 /nfs/dbraw/zinc/38/33/55/203383355.db2.gz CPBFAZRAKUGCNY-SNVBAGLBSA-N 1 0 235.758 3.717 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000165385476 385120430 /nfs/dbraw/zinc/12/04/30/385120430.db2.gz MJKRQGRVIDRCGB-LBPRGKRZSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)CC(C)(C)OC ZINC000165385600 203383269 /nfs/dbraw/zinc/38/32/69/203383269.db2.gz MJKRQGRVIDRCGB-GFCCVEGCSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ncc(C)s1 ZINC000165387769 388400536 /nfs/dbraw/zinc/40/05/36/388400536.db2.gz LOWRYSDJDPRORR-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@@H](C)C2CCCCC2)s1 ZINC000165387920 387524517 /nfs/dbraw/zinc/52/45/17/387524517.db2.gz MBSUHEQXGMIEIE-NSHDSACASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H](C)C2CCCCC2)s1 ZINC000165388038 203382429 /nfs/dbraw/zinc/38/24/29/203382429.db2.gz MBSUHEQXGMIEIE-LLVKDONJSA-N 1 0 238.400 3.510 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000165388292 388400530 /nfs/dbraw/zinc/40/05/30/388400530.db2.gz SLYRWQFATXHDBH-KBPBESRZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000165390493 640570622 /nfs/dbraw/zinc/57/06/22/640570622.db2.gz UPJKQZNNTFLZTP-OLZOCXBDSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000165390630 640569441 /nfs/dbraw/zinc/56/94/41/640569441.db2.gz UPJKQZNNTFLZTP-STQMWFEESA-N 1 0 229.433 3.829 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000165390748 640570187 /nfs/dbraw/zinc/57/01/87/640570187.db2.gz UPJKQZNNTFLZTP-CHWSQXEVSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000165390872 640569872 /nfs/dbraw/zinc/56/98/72/640569872.db2.gz UPJKQZNNTFLZTP-QWHCGFSZSA-N 1 0 229.433 3.829 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CC1)Sc1ccccc1 ZINC000165391502 385118718 /nfs/dbraw/zinc/11/87/18/385118718.db2.gz QGSOCBXETKOJBO-RYUDHWBXSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CC1)Sc1ccccc1 ZINC000165391622 385120712 /nfs/dbraw/zinc/12/07/12/385120712.db2.gz QGSOCBXETKOJBO-NEPJUHHUSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)C1CC1 ZINC000165391761 203382507 /nfs/dbraw/zinc/38/25/07/203382507.db2.gz QGSOCBXETKOJBO-NWDGAFQWSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1CC1)Sc1ccccc1 ZINC000165391879 203383663 /nfs/dbraw/zinc/38/36/63/203383663.db2.gz QGSOCBXETKOJBO-VXGBXAGGSA-N 1 0 235.396 3.555 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ncc(CC)s1 ZINC000165392789 203382983 /nfs/dbraw/zinc/38/29/83/203382983.db2.gz OFWLNYGSLOGUQQ-UHFFFAOYSA-N 1 0 240.416 3.764 20 0 BHADRO C[C@H]([NH2+]CCCCC1CCCC1)C1CC1 ZINC000165394227 203383094 /nfs/dbraw/zinc/38/30/94/203383094.db2.gz QYAQVALZFSZUKQ-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CCCC1)C1CC1 ZINC000165394341 203383943 /nfs/dbraw/zinc/38/39/43/203383943.db2.gz QYAQVALZFSZUKQ-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC1([NH2+]Cc2ccccc2C(F)(F)F)CCC1 ZINC000165403589 353347736 /nfs/dbraw/zinc/34/77/36/353347736.db2.gz ILTQAQXHSIKRHM-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1(C)CCC1 ZINC000165403998 388401606 /nfs/dbraw/zinc/40/16/06/388401606.db2.gz IFCKOYIFEOYKHH-UHFFFAOYSA-N 1 0 229.323 3.773 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000165404528 203383105 /nfs/dbraw/zinc/38/31/05/203383105.db2.gz NQQJTYJXRDUXRJ-UPJWGTAASA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@H](C)c1ccccc1 ZINC000165404646 203382948 /nfs/dbraw/zinc/38/29/48/203382948.db2.gz NQQJTYJXRDUXRJ-XQQFMLRXSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000165404769 387525442 /nfs/dbraw/zinc/52/54/42/387525442.db2.gz NQQJTYJXRDUXRJ-AGIUHOORSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000165404910 203384147 /nfs/dbraw/zinc/38/41/47/203384147.db2.gz NQQJTYJXRDUXRJ-AVGNSLFASA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407007 385120481 /nfs/dbraw/zinc/12/04/81/385120481.db2.gz UTJKWEJGLGTGRO-IUCAKERBSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407127 203382560 /nfs/dbraw/zinc/38/25/60/203382560.db2.gz UTJKWEJGLGTGRO-DTWKUNHWSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000165407255 203383590 /nfs/dbraw/zinc/38/35/90/203383590.db2.gz UTJKWEJGLGTGRO-BDAKNGLRSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407379 203382788 /nfs/dbraw/zinc/38/27/88/203382788.db2.gz UTJKWEJGLGTGRO-RKDXNWHRSA-N 1 0 241.737 3.928 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000165442542 535296252 /nfs/dbraw/zinc/29/62/52/535296252.db2.gz RRFVNZSERXZTSU-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000165442665 361840756 /nfs/dbraw/zinc/84/07/56/361840756.db2.gz RRFVNZSERXZTSU-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000165442804 203385884 /nfs/dbraw/zinc/38/58/84/203385884.db2.gz WCADMLJERHYHET-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000165442943 387526401 /nfs/dbraw/zinc/52/64/01/387526401.db2.gz WCADMLJERHYHET-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000165443073 203386243 /nfs/dbraw/zinc/38/62/43/203386243.db2.gz QEDCOIJISXMBAK-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000165443204 387527509 /nfs/dbraw/zinc/52/75/09/387527509.db2.gz QEDCOIJISXMBAK-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000165443605 353349753 /nfs/dbraw/zinc/34/97/53/353349753.db2.gz SNHDFRJWMBYBFW-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000165443723 353349758 /nfs/dbraw/zinc/34/97/58/353349758.db2.gz SNHDFRJWMBYBFW-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1ccccc1 ZINC000165443850 353349852 /nfs/dbraw/zinc/34/98/52/353349852.db2.gz VUHYKLZDLZXSSY-AWEZNQCLSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1ccccc1 ZINC000165443986 353349937 /nfs/dbraw/zinc/34/99/37/353349937.db2.gz VUHYKLZDLZXSSY-CQSZACIVSA-N 1 0 217.356 3.918 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000165444107 361840184 /nfs/dbraw/zinc/84/01/84/361840184.db2.gz YVOGTEWAPJXTGM-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000165444233 361840544 /nfs/dbraw/zinc/84/05/44/361840544.db2.gz YVOGTEWAPJXTGM-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1 ZINC000165444369 385126105 /nfs/dbraw/zinc/12/61/05/385126105.db2.gz ZEVZLGNUVVLORI-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1 ZINC000165444489 203386731 /nfs/dbraw/zinc/38/67/31/203386731.db2.gz ZEVZLGNUVVLORI-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000165444636 203385528 /nfs/dbraw/zinc/38/55/28/203385528.db2.gz YGWFQRJHPIQIAA-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000165444764 203386219 /nfs/dbraw/zinc/38/62/19/203386219.db2.gz YGWFQRJHPIQIAA-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccccc1F ZINC000165445148 353349831 /nfs/dbraw/zinc/34/98/31/353349831.db2.gz WQMVNLVDZREDFB-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1F ZINC000165445262 353349732 /nfs/dbraw/zinc/34/97/32/353349732.db2.gz WQMVNLVDZREDFB-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000165445399 535898121 /nfs/dbraw/zinc/89/81/21/535898121.db2.gz XZCSWQUPZWWLBF-AWEZNQCLSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000165445524 353349899 /nfs/dbraw/zinc/34/98/99/353349899.db2.gz XZCSWQUPZWWLBF-CQSZACIVSA-N 1 0 217.356 3.918 20 0 BHADRO CCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC000165455500 203385687 /nfs/dbraw/zinc/38/56/87/203385687.db2.gz SRDUXDPTIZOLLC-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000165456441 203386409 /nfs/dbraw/zinc/38/64/09/203386409.db2.gz MUGZRYLLAWOOQJ-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000165458750 203385541 /nfs/dbraw/zinc/38/55/41/203385541.db2.gz HHRRZBXKRIDDMJ-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(SC)cc2)CC1 ZINC000165458887 353353626 /nfs/dbraw/zinc/35/36/26/353353626.db2.gz JUBBSUKEKQVMGN-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC000165459819 203384999 /nfs/dbraw/zinc/38/49/99/203384999.db2.gz GVUREPJVIVIKSA-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000165461214 361840402 /nfs/dbraw/zinc/84/04/02/361840402.db2.gz OIMJAMDKEYKHAB-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(C)c2C)CC1 ZINC000165462160 203385392 /nfs/dbraw/zinc/38/53/92/203385392.db2.gz SBCWWZBXPVTNNN-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC000165462310 203384534 /nfs/dbraw/zinc/38/45/34/203384534.db2.gz HBQZWZYFKSKVJQ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC1(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000165462867 203385505 /nfs/dbraw/zinc/38/55/05/203385505.db2.gz QWBZSMNQBLROPW-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000165463856 386171835 /nfs/dbraw/zinc/17/18/35/386171835.db2.gz VWTFXKNRDUUMSV-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCC1(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000165467267 361840493 /nfs/dbraw/zinc/84/04/93/361840493.db2.gz XRQDPZJOVWWXQT-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC(F)(F)F ZINC000165474629 203385830 /nfs/dbraw/zinc/38/58/30/203385830.db2.gz MJROXEVNKUHGGE-JTQLQIEISA-N 1 0 223.282 3.663 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC000165474724 203385402 /nfs/dbraw/zinc/38/54/02/203385402.db2.gz CAFKUTCQKLTGPL-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC000165474752 203384630 /nfs/dbraw/zinc/38/46/30/203384630.db2.gz MJROXEVNKUHGGE-SNVBAGLBSA-N 1 0 223.282 3.663 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC000165477080 361840889 /nfs/dbraw/zinc/84/08/89/361840889.db2.gz PABRIPLJCCXSAK-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CSc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000165477214 353360121 /nfs/dbraw/zinc/36/01/21/353360121.db2.gz PBJAWLFWEOUEQZ-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO CC1(C[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC000165479408 361840086 /nfs/dbraw/zinc/84/00/86/361840086.db2.gz FWRPABVQPROWIV-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO Cc1cccc(C[NH2+]CC2(C)CCC2)c1C ZINC000165480336 203386465 /nfs/dbraw/zinc/38/64/65/203386465.db2.gz GVBXTDDLAIPBLT-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CC1(C[NH2+]Cc2c(F)cccc2Cl)CCC1 ZINC000165480873 203385806 /nfs/dbraw/zinc/38/58/06/203385806.db2.gz HOFZQVBWCFMKIJ-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000165481813 361840903 /nfs/dbraw/zinc/84/09/03/361840903.db2.gz BFNMCVNYTQPMBY-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC1(C[NH2+]Cc2ccccc2Cl)CCC1 ZINC000165485524 361840238 /nfs/dbraw/zinc/84/02/38/361840238.db2.gz QWNMQDUPFIVHGK-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000165486814 343449505 /nfs/dbraw/zinc/44/95/05/343449505.db2.gz WHTKOKLUWIAEJL-CQSZACIVSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000165486941 343449761 /nfs/dbraw/zinc/44/97/61/343449761.db2.gz WHTKOKLUWIAEJL-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)c1ccccc1 ZINC000165487573 203386130 /nfs/dbraw/zinc/38/61/30/203386130.db2.gz QVBFEMOVGUOSBU-KBPBESRZSA-N 1 0 245.366 3.522 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)c1ccccc1 ZINC000165487695 203385218 /nfs/dbraw/zinc/38/52/18/203385218.db2.gz QVBFEMOVGUOSBU-ZIAGYGMSSA-N 1 0 245.366 3.522 20 0 BHADRO C[C@@H](CC1CCC1)Nc1ccc(N(C)C)cc1 ZINC000165510370 633093120 /nfs/dbraw/zinc/09/31/20/633093120.db2.gz WVMPJQGJKNSEGA-LBPRGKRZSA-N 1 0 232.371 3.743 20 0 BHADRO C[C@H](CC1CCC1)Nc1ccc(N(C)C)cc1 ZINC000165510499 633092714 /nfs/dbraw/zinc/09/27/14/633092714.db2.gz WVMPJQGJKNSEGA-GFCCVEGCSA-N 1 0 232.371 3.743 20 0 BHADRO CC[C@H]1CCC[C@@H]1Nc1ccc(N(C)C)cc1 ZINC000165510765 633093057 /nfs/dbraw/zinc/09/30/57/633093057.db2.gz AOMWZLRUXQVMIC-WFASDCNBSA-N 1 0 232.371 3.743 20 0 BHADRO CC[C@@H]1CCC[C@H]1Nc1ccc(N(C)C)cc1 ZINC000165510890 633092991 /nfs/dbraw/zinc/09/29/91/633092991.db2.gz AOMWZLRUXQVMIC-IUODEOHRSA-N 1 0 232.371 3.743 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)nc2)CCCCC1 ZINC000165517903 633093308 /nfs/dbraw/zinc/09/33/08/633093308.db2.gz WNYMBPXJTHXSQB-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)CC(C)C)o1 ZINC000165538935 203384888 /nfs/dbraw/zinc/38/48/88/203384888.db2.gz UWZWRSNWLKYCCL-UHFFFAOYSA-N 1 0 223.360 3.750 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)CC(C)C ZINC000165539203 203385815 /nfs/dbraw/zinc/38/58/15/203385815.db2.gz UZWNQAHJMPYUDQ-UHFFFAOYSA-N 1 0 223.360 3.750 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000165547272 203386734 /nfs/dbraw/zinc/38/67/34/203386734.db2.gz VMKIVCKEMSVXJO-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000165547394 203385040 /nfs/dbraw/zinc/38/50/40/203385040.db2.gz VMKIVCKEMSVXJO-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000165547897 203386541 /nfs/dbraw/zinc/38/65/41/203386541.db2.gz NVRAFYSGOSBOOE-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000165548037 203384587 /nfs/dbraw/zinc/38/45/87/203384587.db2.gz NVRAFYSGOSBOOE-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)ccc1F ZINC000165550395 203386110 /nfs/dbraw/zinc/38/61/10/203386110.db2.gz PXGKVEWMQWZKKF-WDEREUQCSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)ccc1F ZINC000165550647 203385265 /nfs/dbraw/zinc/38/52/65/203385265.db2.gz PXGKVEWMQWZKKF-GHMZBOCLSA-N 1 0 221.319 3.583 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000165552443 387534685 /nfs/dbraw/zinc/53/46/85/387534685.db2.gz YMPJCWDCVJOLQV-ZDUSSCGKSA-N 1 0 217.356 3.918 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000165552566 203386396 /nfs/dbraw/zinc/38/63/96/203386396.db2.gz YMPJCWDCVJOLQV-CYBMUJFWSA-N 1 0 217.356 3.918 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)s2)CCC1 ZINC000165576738 361843025 /nfs/dbraw/zinc/84/30/25/361843025.db2.gz AMNNDYQWSMKPDT-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC1(C[NH2+]Cc2sccc2C)CCC1 ZINC000165581417 361843550 /nfs/dbraw/zinc/84/35/50/361843550.db2.gz VKAAMOUPTKDJFG-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000165583512 203385215 /nfs/dbraw/zinc/38/52/15/203385215.db2.gz MBCZAKKWGGSBNU-ZDUSSCGKSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000165583632 203384548 /nfs/dbraw/zinc/38/45/48/203384548.db2.gz MBCZAKKWGGSBNU-CYBMUJFWSA-N 1 0 217.356 3.773 20 0 BHADRO Cc1ccsc1C[NH2+]CC1(C(C)C)CC1 ZINC000165594871 361843509 /nfs/dbraw/zinc/84/35/09/361843509.db2.gz ITNLSURAQIGLAT-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO CC(C)C1(C[NH2+]C2CCCCCC2)CC1 ZINC000165595563 203386672 /nfs/dbraw/zinc/38/66/72/203386672.db2.gz ARMCTCUQKQXIGI-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1cccc(C[NH2+]CC2(C(C)C)CC2)c1 ZINC000165601035 133665277 /nfs/dbraw/zinc/66/52/77/133665277.db2.gz HINUGQNHXDZAPC-UHFFFAOYSA-N 1 0 217.356 3.521 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000165601859 203385354 /nfs/dbraw/zinc/38/53/54/203385354.db2.gz NLOQAWRXPPYPIZ-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000165601993 387540722 /nfs/dbraw/zinc/54/07/22/387540722.db2.gz NLOQAWRXPPYPIZ-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000165602112 203385112 /nfs/dbraw/zinc/38/51/12/203385112.db2.gz NLOQAWRXPPYPIZ-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000165602257 203385693 /nfs/dbraw/zinc/38/56/93/203385693.db2.gz NLOQAWRXPPYPIZ-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccccc1C[NH2+]CC1(C(C)C)CC1 ZINC000165602529 353405001 /nfs/dbraw/zinc/40/50/01/353405001.db2.gz BEPMZEMZWXUVBF-UHFFFAOYSA-N 1 0 217.356 3.521 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C(C)C)CC2)s1 ZINC000165602697 361843046 /nfs/dbraw/zinc/84/30/46/361843046.db2.gz JVRPVAFZPNIWQL-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO CC(C)C1(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000165602820 203385801 /nfs/dbraw/zinc/38/58/01/203385801.db2.gz DHEWSMHUTYJDFK-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO CC(C)C1(C[NH2+]C2CCC(C)CC2)CC1 ZINC000165603391 133665456 /nfs/dbraw/zinc/66/54/56/133665456.db2.gz JDYNHCDORSMZJH-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1 ZINC000165603531 203386701 /nfs/dbraw/zinc/38/67/01/203386701.db2.gz QCPAUDUAAYVFSO-UHFFFAOYSA-N 1 0 217.356 3.521 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]Cc1cc[nH]c1 ZINC000165694634 203386750 /nfs/dbraw/zinc/38/67/50/203386750.db2.gz ULKDFSDSWIUDSR-CYBMUJFWSA-N 1 0 222.376 3.711 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]Cc1cc[nH]c1 ZINC000165694751 203385869 /nfs/dbraw/zinc/38/58/69/203385869.db2.gz ULKDFSDSWIUDSR-ZDUSSCGKSA-N 1 0 222.376 3.711 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000165710262 203386224 /nfs/dbraw/zinc/38/62/24/203386224.db2.gz UUANLUFSNKSUCE-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000165710389 203385466 /nfs/dbraw/zinc/38/54/66/203385466.db2.gz UUANLUFSNKSUCE-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000165710510 203386523 /nfs/dbraw/zinc/38/65/23/203386523.db2.gz UUANLUFSNKSUCE-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000165710632 203386696 /nfs/dbraw/zinc/38/66/96/203386696.db2.gz UUANLUFSNKSUCE-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000165721616 203386774 /nfs/dbraw/zinc/38/67/74/203386774.db2.gz SHCLIZNFEIBZQV-KOLCDFICSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000165721729 203386296 /nfs/dbraw/zinc/38/62/96/203386296.db2.gz SHCLIZNFEIBZQV-ONGXEEELSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000165721845 203385241 /nfs/dbraw/zinc/38/52/41/203385241.db2.gz SHCLIZNFEIBZQV-MWLCHTKSSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000165721963 203384635 /nfs/dbraw/zinc/38/46/35/203384635.db2.gz SHCLIZNFEIBZQV-GXSJLCMTSA-N 1 0 243.803 3.722 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1C)SC ZINC000165820012 711826295 /nfs/dbraw/zinc/82/62/95/711826295.db2.gz FWBUCXLGWBYAFD-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C)SC ZINC000165820129 638591955 /nfs/dbraw/zinc/59/19/55/638591955.db2.gz FWBUCXLGWBYAFD-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1C)SC ZINC000165820263 638590645 /nfs/dbraw/zinc/59/06/45/638590645.db2.gz FWBUCXLGWBYAFD-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@H]1C)SC ZINC000165820387 711826298 /nfs/dbraw/zinc/82/62/98/711826298.db2.gz FWBUCXLGWBYAFD-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000165839431 488046018 /nfs/dbraw/zinc/04/60/18/488046018.db2.gz QQCXOCGGUFEBGG-GFCCVEGCSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000165839561 488045843 /nfs/dbraw/zinc/04/58/43/488045843.db2.gz QQCXOCGGUFEBGG-LBPRGKRZSA-N 1 0 239.334 3.503 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000165853926 203385471 /nfs/dbraw/zinc/38/54/71/203385471.db2.gz ZDTMFUGQDSOGMA-UHFFFAOYSA-N 1 0 241.762 3.849 20 0 BHADRO Cc1ccc(C[NH2+]CC2(CC(C)C)CC2)o1 ZINC000165854831 353753284 /nfs/dbraw/zinc/75/32/84/353753284.db2.gz FBPUDSKBWWQSES-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO CCCCCC[NH2+]Cc1cccc(OC)c1F ZINC000165856175 633100467 /nfs/dbraw/zinc/10/04/67/633100467.db2.gz NJWWZIMTJRPTNI-UHFFFAOYSA-N 1 0 239.334 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]CC1(CC(C)C)CC1 ZINC000165856513 353753562 /nfs/dbraw/zinc/75/35/62/353753562.db2.gz IIKJRSAUQGSICM-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO CSc1cc(C)ccc1C[NH2+]CC(C)(C)C ZINC000165859275 538937561 /nfs/dbraw/zinc/93/75/61/538937561.db2.gz XDWXDUVFOFWDTH-UHFFFAOYSA-N 1 0 237.412 3.853 20 0 BHADRO CSc1cc(C)ccc1C[NH2+]C1CCCC1 ZINC000165859401 640596929 /nfs/dbraw/zinc/59/69/29/640596929.db2.gz UUMYDDUOQIERCF-UHFFFAOYSA-N 1 0 235.396 3.749 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccco2)CCC1 ZINC000165859533 353753412 /nfs/dbraw/zinc/75/34/12/353753412.db2.gz FCCUDHVJJUDNFU-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccoc2)CCC1 ZINC000165860140 633101428 /nfs/dbraw/zinc/10/14/28/633101428.db2.gz ZTULEZKFGZALDG-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO CC(C)CC1(C[NH2+]C2CCCC2)CCC1 ZINC000165860450 640597237 /nfs/dbraw/zinc/59/72/37/640597237.db2.gz ZGYXDLCNPJBLRQ-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165869478 529311858 /nfs/dbraw/zinc/31/18/58/529311858.db2.gz JTSRVFGMAVGVMD-KOLCDFICSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165869580 203385533 /nfs/dbraw/zinc/38/55/33/203385533.db2.gz JTSRVFGMAVGVMD-ONGXEEELSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165869699 203384797 /nfs/dbraw/zinc/38/47/97/203384797.db2.gz JTSRVFGMAVGVMD-MWLCHTKSSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165869830 203385667 /nfs/dbraw/zinc/38/56/67/203385667.db2.gz JTSRVFGMAVGVMD-GXSJLCMTSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000165917645 203385514 /nfs/dbraw/zinc/38/55/14/203385514.db2.gz IPGZCKBBCYHLPI-ZYHUDNBSSA-N 1 0 231.364 3.647 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000165917752 203386074 /nfs/dbraw/zinc/38/60/74/203386074.db2.gz IPGZCKBBCYHLPI-CMPLNLGQSA-N 1 0 231.364 3.647 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000165917870 203386729 /nfs/dbraw/zinc/38/67/29/203386729.db2.gz IPGZCKBBCYHLPI-PWSUYJOCSA-N 1 0 231.364 3.647 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000165918004 203386642 /nfs/dbraw/zinc/38/66/42/203386642.db2.gz IPGZCKBBCYHLPI-JQWIXIFHSA-N 1 0 231.364 3.647 20 0 BHADRO CC(C)c1ncc(C[NH2+]C2(C)CCCC2)s1 ZINC000165920852 135754183 /nfs/dbraw/zinc/75/41/83/135754183.db2.gz LYTQPVBVUDOGPT-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC1CC([NH2+]Cc2cc3ccccc3s2)C1 ZINC000165928866 203386373 /nfs/dbraw/zinc/38/63/73/203386373.db2.gz XZZFJOPFFSWLFR-UHFFFAOYSA-N 1 0 231.364 3.789 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)cc1 ZINC000165931124 203385946 /nfs/dbraw/zinc/38/59/46/203385946.db2.gz JYTVCWOZWSECSQ-WDEREUQCSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)cc1 ZINC000165931234 203386582 /nfs/dbraw/zinc/38/65/82/203386582.db2.gz JYTVCWOZWSECSQ-QWRGUYRKSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)cc1 ZINC000165931369 203386191 /nfs/dbraw/zinc/38/61/91/203386191.db2.gz JYTVCWOZWSECSQ-GHMZBOCLSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)cc1 ZINC000165931503 387574507 /nfs/dbraw/zinc/57/45/07/387574507.db2.gz JYTVCWOZWSECSQ-MNOVXSKESA-N 1 0 245.288 3.987 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(C)o2)CCC1 ZINC000165942164 354349093 /nfs/dbraw/zinc/34/90/93/354349093.db2.gz KFAFKELUXDTIML-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CCCC1(C[NH2+]Cc2occc2C)CCC1 ZINC000165943129 354354227 /nfs/dbraw/zinc/35/42/27/354354227.db2.gz MDEDZIDAAGXFAC-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165949182 385210992 /nfs/dbraw/zinc/21/09/92/385210992.db2.gz OLXBAWZWVAICFN-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165949316 385210513 /nfs/dbraw/zinc/21/05/13/385210513.db2.gz OLXBAWZWVAICFN-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165949463 385210753 /nfs/dbraw/zinc/21/07/53/385210753.db2.gz OLXBAWZWVAICFN-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165949585 385210879 /nfs/dbraw/zinc/21/08/79/385210879.db2.gz OLXBAWZWVAICFN-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccco1 ZINC000165956685 361846845 /nfs/dbraw/zinc/84/68/45/361846845.db2.gz VRFQFMVMYIZCBH-UHFFFAOYSA-N 1 0 209.333 3.586 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccoc1 ZINC000165957177 361847484 /nfs/dbraw/zinc/84/74/84/361847484.db2.gz RWAOYXLNUMPZSN-UHFFFAOYSA-N 1 0 209.333 3.586 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000165966368 203386119 /nfs/dbraw/zinc/38/61/19/203386119.db2.gz ICXCGIKFHJSAJW-ZDUSSCGKSA-N 1 0 217.356 3.918 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000165966495 203384988 /nfs/dbraw/zinc/38/49/88/203384988.db2.gz ICXCGIKFHJSAJW-CYBMUJFWSA-N 1 0 217.356 3.918 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000165969710 398093545 /nfs/dbraw/zinc/09/35/45/398093545.db2.gz JKEVNCAKCVYNTD-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C[NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC000165969866 203385912 /nfs/dbraw/zinc/38/59/12/203385912.db2.gz BVAIBQSWRMDLBC-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCCC1(C[NH2+]Cc2sccc2C)CC1 ZINC000165974358 385212857 /nfs/dbraw/zinc/21/28/57/385212857.db2.gz MFFGLOHNPSZTHY-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(C)s2)CC1 ZINC000165976205 203385206 /nfs/dbraw/zinc/38/52/06/203385206.db2.gz KTWNIIZEUSLEMI-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000165976343 388253777 /nfs/dbraw/zinc/25/37/77/388253777.db2.gz JHRSGDHQGNIAMP-UHFFFAOYSA-N 1 0 227.735 3.603 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C(C)(C)C)o1 ZINC000165987559 203385349 /nfs/dbraw/zinc/38/53/49/203385349.db2.gz PBFCPSFBMKMKTE-ZDUSSCGKSA-N 1 0 223.360 3.756 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C(C)(C)C)o1 ZINC000165987689 203386789 /nfs/dbraw/zinc/38/67/89/203386789.db2.gz PBFCPSFBMKMKTE-CYBMUJFWSA-N 1 0 223.360 3.756 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000165988571 203384791 /nfs/dbraw/zinc/38/47/91/203384791.db2.gz WFQYABRPDVTISC-WHXUTIOJSA-N 1 0 237.309 3.886 20 0 BHADRO CCC1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000165988695 203385203 /nfs/dbraw/zinc/38/52/03/203385203.db2.gz WFQYABRPDVTISC-KPPDAEKUSA-N 1 0 237.309 3.886 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(CC)CC)o1 ZINC000165989457 203386248 /nfs/dbraw/zinc/38/62/48/203386248.db2.gz QAMMQVBEQCCRID-UHFFFAOYSA-N 1 0 209.333 3.510 20 0 BHADRO CCc1ccc(C[NH2+]CC2(CC)CCC2)o1 ZINC000165994933 386068447 /nfs/dbraw/zinc/06/84/47/386068447.db2.gz YMQIXTFQZZZVIC-UHFFFAOYSA-N 1 0 221.344 3.512 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CC)o1 ZINC000165997727 323077772 /nfs/dbraw/zinc/07/77/72/323077772.db2.gz VMSQSNFCMWHGEV-SMDDNHRTSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2CC)o1 ZINC000165997848 203384775 /nfs/dbraw/zinc/38/47/75/203384775.db2.gz VMSQSNFCMWHGEV-FZMZJTMJSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2CC)o1 ZINC000165997966 203385612 /nfs/dbraw/zinc/38/56/12/203385612.db2.gz VMSQSNFCMWHGEV-BXUZGUMPSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2CC)o1 ZINC000165998090 203385899 /nfs/dbraw/zinc/38/58/99/203385899.db2.gz VMSQSNFCMWHGEV-RISCZKNCSA-N 1 0 221.344 3.510 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(CC)o2)CC1 ZINC000165998263 354629001 /nfs/dbraw/zinc/62/90/01/354629001.db2.gz STAIGZQCWWREAO-UHFFFAOYSA-N 1 0 221.344 3.512 20 0 BHADRO CCC1(C[NH2+]Cc2occc2C)CCCC1 ZINC000166002698 354665437 /nfs/dbraw/zinc/66/54/37/354665437.db2.gz MOCXJXMKIZOCPW-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)o2)CCCC1 ZINC000166003363 354678411 /nfs/dbraw/zinc/67/84/11/354678411.db2.gz LHFDZXLHCMYACH-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CCC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC000166003504 361847578 /nfs/dbraw/zinc/84/75/78/361847578.db2.gz BHULZGOTRJWZTL-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C[C@@H]1C ZINC000166017233 203387306 /nfs/dbraw/zinc/38/73/06/203387306.db2.gz MBYUUBRQDYHGCN-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C[C@@H]1C ZINC000166017451 203387905 /nfs/dbraw/zinc/38/79/05/203387905.db2.gz MBYUUBRQDYHGCN-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000166019637 640606599 /nfs/dbraw/zinc/60/65/99/640606599.db2.gz SVJIXWDKIRUIOB-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000166019753 640606496 /nfs/dbraw/zinc/60/64/96/640606496.db2.gz SVJIXWDKIRUIOB-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccccc1F ZINC000166024965 385215232 /nfs/dbraw/zinc/21/52/32/385215232.db2.gz UHYFMBAUIGGUMI-AWEZNQCLSA-N 1 0 233.286 3.660 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1F ZINC000166025096 346663557 /nfs/dbraw/zinc/66/35/57/346663557.db2.gz UHYFMBAUIGGUMI-CQSZACIVSA-N 1 0 233.286 3.660 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)C)c1ccc(F)cn1 ZINC000166028180 203387578 /nfs/dbraw/zinc/38/75/78/203387578.db2.gz NFZSOXOKUIJJEU-LBPRGKRZSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)C)c1ccc(F)cn1 ZINC000166028297 203387424 /nfs/dbraw/zinc/38/74/24/203387424.db2.gz NFZSOXOKUIJJEU-GFCCVEGCSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1F ZINC000166040835 538939015 /nfs/dbraw/zinc/93/90/15/538939015.db2.gz WMHWRMFXRUSVLO-ABAIWWIYSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1F ZINC000166040966 538939219 /nfs/dbraw/zinc/93/92/19/538939219.db2.gz WMHWRMFXRUSVLO-IAQYHMDHSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1F ZINC000166041077 538938880 /nfs/dbraw/zinc/93/88/80/538938880.db2.gz WMHWRMFXRUSVLO-NHYWBVRUSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1F ZINC000166041190 538939109 /nfs/dbraw/zinc/93/91/09/538939109.db2.gz WMHWRMFXRUSVLO-XHDPSFHLSA-N 1 0 235.346 3.913 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000166051179 203387500 /nfs/dbraw/zinc/38/75/00/203387500.db2.gz PBMCGNFABRFMKC-ZDUSSCGKSA-N 1 0 238.350 3.698 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000166051300 203388445 /nfs/dbraw/zinc/38/84/45/203388445.db2.gz PBMCGNFABRFMKC-CYBMUJFWSA-N 1 0 238.350 3.698 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000166089158 640613989 /nfs/dbraw/zinc/61/39/89/640613989.db2.gz NYTMBIBLIRESRH-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000166089281 633105808 /nfs/dbraw/zinc/10/58/08/633105808.db2.gz NYTMBIBLIRESRH-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000166089399 640613882 /nfs/dbraw/zinc/61/38/82/640613882.db2.gz NYTMBIBLIRESRH-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000166089512 633106591 /nfs/dbraw/zinc/10/65/91/633106591.db2.gz NYTMBIBLIRESRH-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@@H](C)[NH2+]CC[C@@H](C)c1ccc(OC)cc1 ZINC000166104994 388417062 /nfs/dbraw/zinc/41/70/62/388417062.db2.gz MAXBPMPFSCGEQT-CHWSQXEVSA-N 1 0 235.371 3.577 20 0 BHADRO CC[C@H](C)[NH2+]CC[C@@H](C)c1ccc(OC)cc1 ZINC000166105096 326427967 /nfs/dbraw/zinc/42/79/67/326427967.db2.gz MAXBPMPFSCGEQT-OLZOCXBDSA-N 1 0 235.371 3.577 20 0 BHADRO CC[C@@H](C)[NH2+]CC[C@H](C)c1ccc(OC)cc1 ZINC000166105225 326427997 /nfs/dbraw/zinc/42/79/97/326427997.db2.gz MAXBPMPFSCGEQT-QWHCGFSZSA-N 1 0 235.371 3.577 20 0 BHADRO CC[C@H](C)[NH2+]CC[C@H](C)c1ccc(OC)cc1 ZINC000166105338 326427932 /nfs/dbraw/zinc/42/79/32/326427932.db2.gz MAXBPMPFSCGEQT-STQMWFEESA-N 1 0 235.371 3.577 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000166126570 200843418 /nfs/dbraw/zinc/84/34/18/200843418.db2.gz OWSBLEXBYVFQRU-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC2CCC2)c1 ZINC000166126674 385221473 /nfs/dbraw/zinc/22/14/73/385221473.db2.gz OWSBLEXBYVFQRU-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)C(C)(C)C ZINC000166153914 203388536 /nfs/dbraw/zinc/38/85/36/203388536.db2.gz GCNONBPOUSYCMK-LBPRGKRZSA-N 1 0 209.377 3.901 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)C(C)(C)C ZINC000166154018 203388012 /nfs/dbraw/zinc/38/80/12/203388012.db2.gz GCNONBPOUSYCMK-GFCCVEGCSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC000166154147 326428702 /nfs/dbraw/zinc/42/87/02/326428702.db2.gz LQQFPJXZZRBNRJ-HNNXBMFYSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC000166154273 388418849 /nfs/dbraw/zinc/41/88/49/388418849.db2.gz LQQFPJXZZRBNRJ-OAHLLOKOSA-N 1 0 221.388 3.901 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000166156176 538939246 /nfs/dbraw/zinc/93/92/46/538939246.db2.gz JYFOBLLVFPCAJD-ZJUUUORDSA-N 1 0 240.416 3.853 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000166156307 538939149 /nfs/dbraw/zinc/93/91/49/538939149.db2.gz JYFOBLLVFPCAJD-UWVGGRQHSA-N 1 0 240.416 3.853 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000166156428 538938961 /nfs/dbraw/zinc/93/89/61/538938961.db2.gz JYFOBLLVFPCAJD-NXEZZACHSA-N 1 0 240.416 3.853 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000166156556 538939041 /nfs/dbraw/zinc/93/90/41/538939041.db2.gz JYFOBLLVFPCAJD-VHSXEESVSA-N 1 0 240.416 3.853 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000166158762 203387614 /nfs/dbraw/zinc/38/76/14/203387614.db2.gz DZFNXVHWLPFQSF-MJBXVCDLSA-N 1 0 219.372 3.957 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000166158992 203387657 /nfs/dbraw/zinc/38/76/57/203387657.db2.gz DZFNXVHWLPFQSF-BFHYXJOUSA-N 1 0 219.372 3.957 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166160146 638590790 /nfs/dbraw/zinc/59/07/90/638590790.db2.gz GMBPVCZMQSEFNY-ZJUUUORDSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166160268 638589384 /nfs/dbraw/zinc/58/93/84/638589384.db2.gz GMBPVCZMQSEFNY-UWVGGRQHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000166160406 640618571 /nfs/dbraw/zinc/61/85/71/640618571.db2.gz GMBPVCZMQSEFNY-NXEZZACHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000166160519 638590213 /nfs/dbraw/zinc/59/02/13/638590213.db2.gz GMBPVCZMQSEFNY-VHSXEESVSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166162961 640620087 /nfs/dbraw/zinc/62/00/87/640620087.db2.gz TZPUSKBURNORFB-ZJUUUORDSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166163073 640619652 /nfs/dbraw/zinc/61/96/52/640619652.db2.gz TZPUSKBURNORFB-UWVGGRQHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000166163191 640619933 /nfs/dbraw/zinc/61/99/33/640619933.db2.gz TZPUSKBURNORFB-NXEZZACHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000166163307 640619675 /nfs/dbraw/zinc/61/96/75/640619675.db2.gz TZPUSKBURNORFB-VHSXEESVSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000166169106 538938902 /nfs/dbraw/zinc/93/89/02/538938902.db2.gz UGVHVAAWGPETJX-MNOVXSKESA-N 1 0 209.333 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000166169219 538938998 /nfs/dbraw/zinc/93/89/98/538938998.db2.gz UGVHVAAWGPETJX-QWRGUYRKSA-N 1 0 209.333 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000166169337 538938881 /nfs/dbraw/zinc/93/88/81/538938881.db2.gz UGVHVAAWGPETJX-GHMZBOCLSA-N 1 0 209.333 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000166169470 538939221 /nfs/dbraw/zinc/93/92/21/538939221.db2.gz UGVHVAAWGPETJX-WDEREUQCSA-N 1 0 209.333 3.681 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000166188085 326430469 /nfs/dbraw/zinc/43/04/69/326430469.db2.gz GINZKCONEIHGGM-AWEZNQCLSA-N 1 0 237.774 3.864 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000166188196 388420731 /nfs/dbraw/zinc/42/07/31/388420731.db2.gz GINZKCONEIHGGM-CQSZACIVSA-N 1 0 237.774 3.864 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000166188356 326430527 /nfs/dbraw/zinc/43/05/27/326430527.db2.gz KKLASXZDICYTNJ-AWEZNQCLSA-N 1 0 237.774 3.864 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000166188481 388420778 /nfs/dbraw/zinc/42/07/78/388420778.db2.gz KKLASXZDICYTNJ-CQSZACIVSA-N 1 0 237.774 3.864 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCCC2 ZINC000166194472 136235976 /nfs/dbraw/zinc/23/59/76/136235976.db2.gz KQAJPNDTSDUYHP-CQSZACIVSA-N 1 0 235.758 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCCC2 ZINC000166194585 136235839 /nfs/dbraw/zinc/23/58/39/136235839.db2.gz KQAJPNDTSDUYHP-AWEZNQCLSA-N 1 0 235.758 3.860 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000166204454 136308820 /nfs/dbraw/zinc/30/88/20/136308820.db2.gz GGSKUTDRYSETOJ-GFCCVEGCSA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000166204592 136308766 /nfs/dbraw/zinc/30/87/66/136308766.db2.gz GGSKUTDRYSETOJ-LBPRGKRZSA-N 1 0 221.344 3.539 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC(C)C)cc1F ZINC000166205378 203388325 /nfs/dbraw/zinc/38/83/25/203388325.db2.gz CUXIYLBAXBRNIJ-JTQLQIEISA-N 1 0 241.375 3.854 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC(C)C)cc1F ZINC000166205485 203386923 /nfs/dbraw/zinc/38/69/23/203386923.db2.gz CUXIYLBAXBRNIJ-SNVBAGLBSA-N 1 0 241.375 3.854 20 0 BHADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)C ZINC000166209820 224566145 /nfs/dbraw/zinc/56/61/45/224566145.db2.gz MSNPYHSBGYAEEM-JTQLQIEISA-N 1 0 241.762 3.655 20 0 BHADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)C ZINC000166209937 203387599 /nfs/dbraw/zinc/38/75/99/203387599.db2.gz MSNPYHSBGYAEEM-SNVBAGLBSA-N 1 0 241.762 3.655 20 0 BHADRO CCCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000166214213 203387340 /nfs/dbraw/zinc/38/73/40/203387340.db2.gz SQJNQYQNFIUNSK-ZDUSSCGKSA-N 1 0 219.372 3.742 20 0 BHADRO CCCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000166214336 203387834 /nfs/dbraw/zinc/38/78/34/203387834.db2.gz SQJNQYQNFIUNSK-CYBMUJFWSA-N 1 0 219.372 3.742 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000166215058 203387669 /nfs/dbraw/zinc/38/76/69/203387669.db2.gz WMLMGRRUMXLJFH-ZDUSSCGKSA-N 1 0 205.345 3.754 20 0 BHADRO CCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000166215161 203388498 /nfs/dbraw/zinc/38/84/98/203388498.db2.gz WMLMGRRUMXLJFH-CYBMUJFWSA-N 1 0 205.345 3.754 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000166215607 136309423 /nfs/dbraw/zinc/30/94/23/136309423.db2.gz PCKYLVNYZIAXFW-ZDUSSCGKSA-N 1 0 227.298 3.806 20 0 BHADRO CCCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000166215713 535295185 /nfs/dbraw/zinc/29/51/85/535295185.db2.gz PCKYLVNYZIAXFW-CYBMUJFWSA-N 1 0 227.298 3.806 20 0 BHADRO CCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000166216693 136310018 /nfs/dbraw/zinc/31/00/18/136310018.db2.gz BWPDWPLKQKYJJK-GFCCVEGCSA-N 1 0 221.344 3.683 20 0 BHADRO CCCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000166216819 535295121 /nfs/dbraw/zinc/29/51/21/535295121.db2.gz BWPDWPLKQKYJJK-LBPRGKRZSA-N 1 0 221.344 3.683 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000166217549 203388293 /nfs/dbraw/zinc/38/82/93/203388293.db2.gz WKEAOYHWJUKPJA-JTQLQIEISA-N 1 0 241.375 3.998 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000166217685 203387609 /nfs/dbraw/zinc/38/76/09/203387609.db2.gz WKEAOYHWJUKPJA-SNVBAGLBSA-N 1 0 241.375 3.998 20 0 BHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000166217834 343565728 /nfs/dbraw/zinc/56/57/28/343565728.db2.gz HRXHSSPLRNIJPS-CQSZACIVSA-N 1 0 203.329 3.624 20 0 BHADRO CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000166217963 343348245 /nfs/dbraw/zinc/34/82/45/343348245.db2.gz HRXHSSPLRNIJPS-AWEZNQCLSA-N 1 0 203.329 3.624 20 0 BHADRO CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166218567 343212715 /nfs/dbraw/zinc/21/27/15/343212715.db2.gz JULKHPGEZWKPJL-CYBMUJFWSA-N 1 0 223.747 3.717 20 0 BHADRO CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000166218664 343212797 /nfs/dbraw/zinc/21/27/97/343212797.db2.gz JULKHPGEZWKPJL-ZDUSSCGKSA-N 1 0 223.747 3.717 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000166219134 203388333 /nfs/dbraw/zinc/38/83/33/203388333.db2.gz JKDABOQNCLASJN-JTQLQIEISA-N 1 0 223.385 3.688 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000166219262 203388259 /nfs/dbraw/zinc/38/82/59/203388259.db2.gz JKDABOQNCLASJN-SNVBAGLBSA-N 1 0 223.385 3.688 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CCCC2)c1C ZINC000166226396 538644362 /nfs/dbraw/zinc/64/43/62/538644362.db2.gz FIHIJSAUYUUICK-CYBMUJFWSA-N 1 0 217.356 3.897 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CCCC2)c1C ZINC000166226518 538644521 /nfs/dbraw/zinc/64/45/21/538644521.db2.gz FIHIJSAUYUUICK-ZDUSSCGKSA-N 1 0 217.356 3.897 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166233689 168391155 /nfs/dbraw/zinc/39/11/55/168391155.db2.gz SFACHZWEACMEPE-VIFPVBQESA-N 1 0 226.751 3.574 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cccnc1Cl ZINC000166233804 168392913 /nfs/dbraw/zinc/39/29/13/168392913.db2.gz SFACHZWEACMEPE-SECBINFHSA-N 1 0 226.751 3.574 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C(CC)CC)o1 ZINC000166237703 203387726 /nfs/dbraw/zinc/38/77/26/203387726.db2.gz LWZVKZOWOLZFJL-SNVBAGLBSA-N 1 0 209.333 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C(CC)CC)o1 ZINC000166237831 203387804 /nfs/dbraw/zinc/38/78/04/203387804.db2.gz LWZVKZOWOLZFJL-JTQLQIEISA-N 1 0 209.333 3.681 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)C(C)(C)C ZINC000166239339 203387089 /nfs/dbraw/zinc/38/70/89/203387089.db2.gz XOLVSMAMAFXBKN-NSHDSACASA-N 1 0 239.790 3.907 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C(C)(C)C ZINC000166239451 203387935 /nfs/dbraw/zinc/38/79/35/203387935.db2.gz XOLVSMAMAFXBKN-LLVKDONJSA-N 1 0 239.790 3.907 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC(C)C ZINC000166267660 203387041 /nfs/dbraw/zinc/38/70/41/203387041.db2.gz DNSLSCZNVXFJER-HNNXBMFYSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC(C)C ZINC000166267713 203387652 /nfs/dbraw/zinc/38/76/52/203387652.db2.gz DNSLSCZNVXFJER-OAHLLOKOSA-N 1 0 217.356 3.618 20 0 BHADRO CC(C)CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000166269235 203388032 /nfs/dbraw/zinc/38/80/32/203388032.db2.gz YJYIBOGCSRNIIO-IUODEOHRSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000166269325 387614761 /nfs/dbraw/zinc/61/47/61/387614761.db2.gz YJYIBOGCSRNIIO-SWLSCSKDSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000166269414 203388543 /nfs/dbraw/zinc/38/85/43/203388543.db2.gz YJYIBOGCSRNIIO-DOMZBBRYSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000166269479 203387783 /nfs/dbraw/zinc/38/77/83/203387783.db2.gz YJYIBOGCSRNIIO-WFASDCNBSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000166269894 203387419 /nfs/dbraw/zinc/38/74/19/203387419.db2.gz NUXUQEFRYZGKNO-NSHDSACASA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000166269984 385232701 /nfs/dbraw/zinc/23/27/01/385232701.db2.gz NUXUQEFRYZGKNO-LLVKDONJSA-N 1 0 237.412 3.934 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(C)C ZINC000166270122 203388195 /nfs/dbraw/zinc/38/81/95/203388195.db2.gz TZYDKQQOJFXUCC-HNNXBMFYSA-N 1 0 217.356 3.618 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(C)C ZINC000166270239 203387791 /nfs/dbraw/zinc/38/77/91/203387791.db2.gz TZYDKQQOJFXUCC-OAHLLOKOSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000166290926 203388048 /nfs/dbraw/zinc/38/80/48/203388048.db2.gz NAMOOPQUDZFLIB-AWEZNQCLSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000166291036 203388045 /nfs/dbraw/zinc/38/80/45/203388045.db2.gz NAMOOPQUDZFLIB-CQSZACIVSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccccc1F ZINC000166291657 535899451 /nfs/dbraw/zinc/89/94/51/535899451.db2.gz UTZSICUKLKSDQH-AWEZNQCLSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccccc1F ZINC000166291770 535803338 /nfs/dbraw/zinc/80/33/38/535803338.db2.gz UTZSICUKLKSDQH-CQSZACIVSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1F ZINC000166292988 203387011 /nfs/dbraw/zinc/38/70/11/203387011.db2.gz PEXCQELEOZSTGF-HZMBPMFUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1F ZINC000166293112 219962164 /nfs/dbraw/zinc/96/21/64/219962164.db2.gz PEXCQELEOZSTGF-IINYFYTJSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1F ZINC000166293226 203387673 /nfs/dbraw/zinc/38/76/73/203387673.db2.gz PEXCQELEOZSTGF-YGRLFVJLSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1F ZINC000166293335 203387877 /nfs/dbraw/zinc/38/78/77/203387877.db2.gz PEXCQELEOZSTGF-QMTHXVAHSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)C[C@H]([NH2+]C(C)C)c1cccs1 ZINC000166297923 203388053 /nfs/dbraw/zinc/38/80/53/203388053.db2.gz ICBPZRZHNIDXJW-NSHDSACASA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)C[C@@H]([NH2+]C(C)C)c1cccs1 ZINC000166298037 203387177 /nfs/dbraw/zinc/38/71/77/203387177.db2.gz ICBPZRZHNIDXJW-LLVKDONJSA-N 1 0 211.374 3.833 20 0 BHADRO CC(C)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000166303512 203387314 /nfs/dbraw/zinc/38/73/14/203387314.db2.gz RMYBESNFAVTVHY-LLVKDONJSA-N 1 0 244.165 3.979 20 0 BHADRO CC(C)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000166303626 203387787 /nfs/dbraw/zinc/38/77/87/203387787.db2.gz RMYBESNFAVTVHY-NSHDSACASA-N 1 0 244.165 3.979 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccco1 ZINC000166306883 387632041 /nfs/dbraw/zinc/63/20/41/387632041.db2.gz KASZHFYVZNPCIZ-DGCLKSJQSA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccco1 ZINC000166306996 387631119 /nfs/dbraw/zinc/63/11/19/387631119.db2.gz KASZHFYVZNPCIZ-WCQYABFASA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccco1 ZINC000166307096 203388121 /nfs/dbraw/zinc/38/81/21/203388121.db2.gz KASZHFYVZNPCIZ-YPMHNXCESA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccco1 ZINC000166307188 203388008 /nfs/dbraw/zinc/38/80/08/203388008.db2.gz KASZHFYVZNPCIZ-AAEUAGOBSA-N 1 0 209.333 3.584 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000166317699 203387949 /nfs/dbraw/zinc/38/79/49/203387949.db2.gz ADHONQZMNZHYAQ-KGLIPLIRSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000166317811 203388005 /nfs/dbraw/zinc/38/80/05/203388005.db2.gz ADHONQZMNZHYAQ-KBPBESRZSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000166317926 203388427 /nfs/dbraw/zinc/38/84/27/203388427.db2.gz ADHONQZMNZHYAQ-ZIAGYGMSSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000166318013 203387004 /nfs/dbraw/zinc/38/70/04/203387004.db2.gz ADHONQZMNZHYAQ-UONOGXRCSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000166322242 203387287 /nfs/dbraw/zinc/38/72/87/203387287.db2.gz ISTRPPFWHIZRRZ-YPMHNXCESA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000166322371 203387094 /nfs/dbraw/zinc/38/70/94/203387094.db2.gz ISTRPPFWHIZRRZ-AAEUAGOBSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000166322498 203388423 /nfs/dbraw/zinc/38/84/23/203388423.db2.gz ISTRPPFWHIZRRZ-DGCLKSJQSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000166322619 203387481 /nfs/dbraw/zinc/38/74/81/203387481.db2.gz ISTRPPFWHIZRRZ-WCQYABFASA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000166322890 535603881 /nfs/dbraw/zinc/60/38/81/535603881.db2.gz SRCVXZZPZWZUHO-RNCFNFMXSA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000166322993 136344817 /nfs/dbraw/zinc/34/48/17/136344817.db2.gz SRCVXZZPZWZUHO-ZANVPECISA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000166323104 136344912 /nfs/dbraw/zinc/34/49/12/136344912.db2.gz SRCVXZZPZWZUHO-NOZJJQNGSA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cc(F)ccc1F ZINC000166323214 535808061 /nfs/dbraw/zinc/80/80/61/535808061.db2.gz SRCVXZZPZWZUHO-TVQRCGJNSA-N 1 0 227.298 3.804 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000166326341 203388091 /nfs/dbraw/zinc/38/80/91/203388091.db2.gz FXYBXOZKHGFEBR-HIFRSBDPSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000166326457 203387815 /nfs/dbraw/zinc/38/78/15/203387815.db2.gz FXYBXOZKHGFEBR-ZFWWWQNUSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000166326581 203388172 /nfs/dbraw/zinc/38/81/72/203388172.db2.gz FXYBXOZKHGFEBR-UKRRQHHQSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)CC ZINC000166326696 203387407 /nfs/dbraw/zinc/38/74/07/203387407.db2.gz FXYBXOZKHGFEBR-DZGCQCFKSA-N 1 0 219.372 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000166326806 136345103 /nfs/dbraw/zinc/34/51/03/136345103.db2.gz OISSUCWEVQXUIX-ZYHUDNBSSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000166326926 136345330 /nfs/dbraw/zinc/34/53/30/136345330.db2.gz OISSUCWEVQXUIX-CMPLNLGQSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000166327038 535607106 /nfs/dbraw/zinc/60/71/06/535607106.db2.gz OISSUCWEVQXUIX-PWSUYJOCSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000166327157 136345111 /nfs/dbraw/zinc/34/51/11/136345111.db2.gz OISSUCWEVQXUIX-JQWIXIFHSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000166329196 385239289 /nfs/dbraw/zinc/23/92/89/385239289.db2.gz WHJAEETZIHVULG-SFYZADRCSA-N 1 0 231.261 3.553 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000166329264 171345841 /nfs/dbraw/zinc/34/58/41/171345841.db2.gz WHJAEETZIHVULG-YUMQZZPRSA-N 1 0 231.261 3.553 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000166329345 385239350 /nfs/dbraw/zinc/23/93/50/385239350.db2.gz WHJAEETZIHVULG-HTQZYQBOSA-N 1 0 231.261 3.553 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000166329436 171347939 /nfs/dbraw/zinc/34/79/39/171347939.db2.gz WHJAEETZIHVULG-JGVFFNPUSA-N 1 0 231.261 3.553 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166329711 203388111 /nfs/dbraw/zinc/38/81/11/203388111.db2.gz MKMUNTWSGFLVNH-NOZJJQNGSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166329802 203387137 /nfs/dbraw/zinc/38/71/37/203387137.db2.gz MKMUNTWSGFLVNH-TVQRCGJNSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000166329872 203387086 /nfs/dbraw/zinc/38/70/86/203387086.db2.gz MKMUNTWSGFLVNH-RNCFNFMXSA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000166329947 387624759 /nfs/dbraw/zinc/62/47/59/387624759.db2.gz MKMUNTWSGFLVNH-ZANVPECISA-N 1 0 223.747 3.715 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000166337161 206139952 /nfs/dbraw/zinc/13/99/52/206139952.db2.gz YFUADMFFZVXWHX-NEPJUHHUSA-N 1 0 223.335 3.892 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000166337275 206139648 /nfs/dbraw/zinc/13/96/48/206139648.db2.gz YFUADMFFZVXWHX-RYUDHWBXSA-N 1 0 223.335 3.892 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000166337395 206139452 /nfs/dbraw/zinc/13/94/52/206139452.db2.gz YFUADMFFZVXWHX-VXGBXAGGSA-N 1 0 223.335 3.892 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000166337501 206139342 /nfs/dbraw/zinc/13/93/42/206139342.db2.gz YFUADMFFZVXWHX-NWDGAFQWSA-N 1 0 223.335 3.892 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccccc1F ZINC000166338510 535896357 /nfs/dbraw/zinc/89/63/57/535896357.db2.gz SUWPUTKNUOTPMN-ZDUSSCGKSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccccc1F ZINC000166338633 535802966 /nfs/dbraw/zinc/80/29/66/535802966.db2.gz SUWPUTKNUOTPMN-CYBMUJFWSA-N 1 0 223.335 3.913 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccccc1F ZINC000166339480 355387919 /nfs/dbraw/zinc/38/79/19/355387919.db2.gz LMDSHTGCDPADQV-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccccc1F ZINC000166339605 355388045 /nfs/dbraw/zinc/38/80/45/355388045.db2.gz LMDSHTGCDPADQV-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1ccccc1F ZINC000166348580 490090486 /nfs/dbraw/zinc/09/04/86/490090486.db2.gz CTXRCCWVLUUTOO-ZDUSSCGKSA-N 1 0 241.375 3.620 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1ccccc1F ZINC000166348699 490090433 /nfs/dbraw/zinc/09/04/33/490090433.db2.gz CTXRCCWVLUUTOO-CYBMUJFWSA-N 1 0 241.375 3.620 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000166349195 326432471 /nfs/dbraw/zinc/43/24/71/326432471.db2.gz WHRPQCPBILVOGQ-AWEZNQCLSA-N 1 0 237.774 3.864 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000166349304 326432349 /nfs/dbraw/zinc/43/23/49/326432349.db2.gz WHRPQCPBILVOGQ-CQSZACIVSA-N 1 0 237.774 3.864 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1 ZINC000166349447 490090394 /nfs/dbraw/zinc/09/03/94/490090394.db2.gz ZELRXKQRIZFQIP-AWEZNQCLSA-N 1 0 217.356 3.911 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000166349559 490090542 /nfs/dbraw/zinc/09/05/42/490090542.db2.gz ZELRXKQRIZFQIP-CQSZACIVSA-N 1 0 217.356 3.911 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cccnc1Cl ZINC000166350953 385238669 /nfs/dbraw/zinc/23/86/69/385238669.db2.gz MRLFDWFFSGIMCU-JTQLQIEISA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cccnc1Cl ZINC000166351062 385239144 /nfs/dbraw/zinc/23/91/44/385239144.db2.gz MRLFDWFFSGIMCU-SNVBAGLBSA-N 1 0 238.762 3.718 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000166351605 344870958 /nfs/dbraw/zinc/87/09/58/344870958.db2.gz MIOOPPYZMFVKIN-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CCCCC2)o1 ZINC000166352400 490090549 /nfs/dbraw/zinc/09/05/49/490090549.db2.gz NGXSXPCWYLVSNG-LLVKDONJSA-N 1 0 221.344 3.825 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CCCCC2)o1 ZINC000166352508 490090479 /nfs/dbraw/zinc/09/04/79/490090479.db2.gz NGXSXPCWYLVSNG-NSHDSACASA-N 1 0 221.344 3.825 20 0 BHADRO CC[C@@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000166358464 490090502 /nfs/dbraw/zinc/09/05/02/490090502.db2.gz NOIJNGKUONFVMV-LLVKDONJSA-N 1 0 241.375 3.696 20 0 BHADRO CC[C@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000166358582 490090546 /nfs/dbraw/zinc/09/05/46/490090546.db2.gz NOIJNGKUONFVMV-NSHDSACASA-N 1 0 241.375 3.696 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000166359431 326432427 /nfs/dbraw/zinc/43/24/27/326432427.db2.gz QCLSARXZWDRMPY-OAHLLOKOSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000166359555 326432354 /nfs/dbraw/zinc/43/23/54/326432354.db2.gz QCLSARXZWDRMPY-HNNXBMFYSA-N 1 0 217.356 3.519 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000166361196 344871861 /nfs/dbraw/zinc/87/18/61/344871861.db2.gz BLYZNIQSTNWWFM-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000166361309 344871682 /nfs/dbraw/zinc/87/16/82/344871682.db2.gz BLYZNIQSTNWWFM-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000166361437 344872065 /nfs/dbraw/zinc/87/20/65/344872065.db2.gz BLYZNIQSTNWWFM-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000166361557 344871740 /nfs/dbraw/zinc/87/17/40/344871740.db2.gz BLYZNIQSTNWWFM-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000166362544 344875730 /nfs/dbraw/zinc/87/57/30/344875730.db2.gz XVAJTRVNKVDBCA-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000166362654 344875680 /nfs/dbraw/zinc/87/56/80/344875680.db2.gz XVAJTRVNKVDBCA-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000166363867 398002955 /nfs/dbraw/zinc/00/29/55/398002955.db2.gz LDMZXRVQXKYUMT-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000166363980 398003020 /nfs/dbraw/zinc/00/30/20/398003020.db2.gz LDMZXRVQXKYUMT-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000166364103 398002865 /nfs/dbraw/zinc/00/28/65/398002865.db2.gz LDMZXRVQXKYUMT-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000166364216 398002913 /nfs/dbraw/zinc/00/29/13/398002913.db2.gz LDMZXRVQXKYUMT-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166364470 326432397 /nfs/dbraw/zinc/43/23/97/326432397.db2.gz KKKHKWLQTHBKBG-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166364678 388426360 /nfs/dbraw/zinc/42/63/60/388426360.db2.gz KKKHKWLQTHBKBG-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCSC)C1CCCCC1 ZINC000166364749 398002906 /nfs/dbraw/zinc/00/29/06/398002906.db2.gz JJWHMWJYTYDUSU-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@@H]([NH2+]CCSC)C1CCCCC1 ZINC000166364862 398002619 /nfs/dbraw/zinc/00/26/19/398002619.db2.gz JJWHMWJYTYDUSU-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H](C)c1cnccn1 ZINC000166365081 346673610 /nfs/dbraw/zinc/67/36/10/346673610.db2.gz QFNQFLVYCLTOHD-UONOGXRCSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)c1cnccn1 ZINC000166365191 169000742 /nfs/dbraw/zinc/00/07/42/169000742.db2.gz QFNQFLVYCLTOHD-KBPBESRZSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H](C)c1cnccn1 ZINC000166365310 346674378 /nfs/dbraw/zinc/67/43/78/346674378.db2.gz QFNQFLVYCLTOHD-ZIAGYGMSSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)c1cnccn1 ZINC000166365422 169001462 /nfs/dbraw/zinc/00/14/62/169001462.db2.gz QFNQFLVYCLTOHD-KGLIPLIRSA-N 1 0 249.402 3.734 20 0 BHADRO CC[C@H]([NH2+]CCSC)c1ccc(Cl)s1 ZINC000166366844 398002742 /nfs/dbraw/zinc/00/27/42/398002742.db2.gz AFWBJOXINKRHOG-QMMMGPOBSA-N 1 0 249.832 3.805 20 0 BHADRO CC[C@@H]([NH2+]CCSC)c1ccc(Cl)s1 ZINC000166366956 361849931 /nfs/dbraw/zinc/84/99/31/361849931.db2.gz AFWBJOXINKRHOG-MRVPVSSYSA-N 1 0 249.832 3.805 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccco1 ZINC000166380040 361850610 /nfs/dbraw/zinc/85/06/10/361850610.db2.gz DIHKKNCMLQZZRI-ZDUSSCGKSA-N 1 0 221.344 3.547 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccco1 ZINC000166380137 361850865 /nfs/dbraw/zinc/85/08/65/361850865.db2.gz DIHKKNCMLQZZRI-CYBMUJFWSA-N 1 0 221.344 3.547 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccco1 ZINC000166380650 361850633 /nfs/dbraw/zinc/85/06/33/361850633.db2.gz SKAPEYMTPGNJNY-TZMCWYRMSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccco1 ZINC000166380757 361850871 /nfs/dbraw/zinc/85/08/71/361850871.db2.gz SKAPEYMTPGNJNY-GXTWGEPZSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccco1 ZINC000166380875 361850671 /nfs/dbraw/zinc/85/06/71/361850671.db2.gz SKAPEYMTPGNJNY-OCCSQVGLSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccco1 ZINC000166380989 361850875 /nfs/dbraw/zinc/85/08/75/361850875.db2.gz SKAPEYMTPGNJNY-JSGCOSHPSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCc1ccco1 ZINC000166382289 361850078 /nfs/dbraw/zinc/85/00/78/361850078.db2.gz YCAWHUQMWPLYFE-CYBMUJFWSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCc1ccco1 ZINC000166382398 361850255 /nfs/dbraw/zinc/85/02/55/361850255.db2.gz YCAWHUQMWPLYFE-ZDUSSCGKSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCSc1ccccc1 ZINC000166383421 361850283 /nfs/dbraw/zinc/85/02/83/361850283.db2.gz SWYVCVGHDZSHIT-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000166383533 361850576 /nfs/dbraw/zinc/85/05/76/361850576.db2.gz SWYVCVGHDZSHIT-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@@H](C)[NH2+]CCCSc1ccccc1 ZINC000166383889 529373762 /nfs/dbraw/zinc/37/37/62/529373762.db2.gz QDNNBGYPMDULAB-GFCCVEGCSA-N 1 0 223.385 3.557 20 0 BHADRO CC[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000166384016 529180161 /nfs/dbraw/zinc/18/01/61/529180161.db2.gz QDNNBGYPMDULAB-LBPRGKRZSA-N 1 0 223.385 3.557 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1cccc(F)c1 ZINC000166385828 398299279 /nfs/dbraw/zinc/29/92/79/398299279.db2.gz RZZPVFMIOCCIHO-AWEZNQCLSA-N 1 0 233.286 3.660 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC(C)CC1)C1CC1 ZINC000166385922 538727799 /nfs/dbraw/zinc/72/77/99/538727799.db2.gz PGDHSEWPGJHKLJ-UXUKBGGZSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1cccc(F)c1 ZINC000166385953 398299237 /nfs/dbraw/zinc/29/92/37/398299237.db2.gz RZZPVFMIOCCIHO-CQSZACIVSA-N 1 0 233.286 3.660 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC(C)CC1)C1CC1 ZINC000166386036 538726516 /nfs/dbraw/zinc/72/65/16/538726516.db2.gz PGDHSEWPGJHKLJ-UBHUBRDASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccs1 ZINC000166386432 527426655 /nfs/dbraw/zinc/42/66/55/527426655.db2.gz LLNDYEONESLMMR-LBPRGKRZSA-N 1 0 223.385 3.973 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccs1 ZINC000166386549 387645711 /nfs/dbraw/zinc/64/57/11/387645711.db2.gz LLNDYEONESLMMR-GFCCVEGCSA-N 1 0 223.385 3.973 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000166402428 229173163 /nfs/dbraw/zinc/17/31/63/229173163.db2.gz WCIUMEDYPCDPPE-ZDUSSCGKSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)C(C)(C)C ZINC000166402535 387640979 /nfs/dbraw/zinc/64/09/79/387640979.db2.gz WCIUMEDYPCDPPE-CYBMUJFWSA-N 1 0 219.372 3.562 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000166402674 528419086 /nfs/dbraw/zinc/41/90/86/528419086.db2.gz VOCYOFCNWANETC-LLVKDONJSA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000166402778 528970951 /nfs/dbraw/zinc/97/09/51/528970951.db2.gz VOCYOFCNWANETC-NSHDSACASA-N 1 0 225.763 3.517 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000166402894 538728828 /nfs/dbraw/zinc/72/88/28/538728828.db2.gz YTXPGCMJMXNHIT-LLVKDONJSA-N 1 0 225.763 3.661 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000166403004 538729569 /nfs/dbraw/zinc/72/95/69/538729569.db2.gz YTXPGCMJMXNHIT-NSHDSACASA-N 1 0 225.763 3.661 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCc1cccc(Cl)c1 ZINC000166403128 533505034 /nfs/dbraw/zinc/50/50/34/533505034.db2.gz NDKRSRVLYHSGNT-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCc1cccc(Cl)c1 ZINC000166403244 533765761 /nfs/dbraw/zinc/76/57/61/533765761.db2.gz NDKRSRVLYHSGNT-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)C(C)(C)C ZINC000166403856 533871920 /nfs/dbraw/zinc/87/19/20/533871920.db2.gz JQOAJCZYQJXTLD-NSHDSACASA-N 1 0 239.790 3.907 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)C(C)(C)C ZINC000166403970 229172852 /nfs/dbraw/zinc/17/28/52/229172852.db2.gz JQOAJCZYQJXTLD-LLVKDONJSA-N 1 0 239.790 3.907 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)C1(C)CC1 ZINC000166404097 385240554 /nfs/dbraw/zinc/24/05/54/385240554.db2.gz OXLDMNFPETXPHT-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)C1(C)CC1 ZINC000166404203 229173406 /nfs/dbraw/zinc/17/34/06/229173406.db2.gz OXLDMNFPETXPHT-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]([NH2+]CCc1cccc(Cl)c1)C1CC1 ZINC000166404372 529607069 /nfs/dbraw/zinc/60/70/69/529607069.db2.gz XKGAOPWZIYQBBY-AWEZNQCLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]([NH2+]CCc1cccc(Cl)c1)C1CC1 ZINC000166404471 529169936 /nfs/dbraw/zinc/16/99/36/529169936.db2.gz XKGAOPWZIYQBBY-CQSZACIVSA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000166405318 326432580 /nfs/dbraw/zinc/43/25/80/326432580.db2.gz FNAOGEORGDJUEJ-OAHLLOKOSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000166405452 326432743 /nfs/dbraw/zinc/43/27/43/326432743.db2.gz FNAOGEORGDJUEJ-HNNXBMFYSA-N 1 0 217.356 3.519 20 0 BHADRO CC[C@@H](C)[NH2+]CCSCc1ccc(C)cc1 ZINC000166448751 529374130 /nfs/dbraw/zinc/37/41/30/529374130.db2.gz YDMISRNLDLPOQO-CYBMUJFWSA-N 1 0 237.412 3.616 20 0 BHADRO CC[C@H](C)[NH2+]CCSCc1ccc(C)cc1 ZINC000166448865 385243104 /nfs/dbraw/zinc/24/31/04/385243104.db2.gz YDMISRNLDLPOQO-ZDUSSCGKSA-N 1 0 237.412 3.616 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000166449606 229172903 /nfs/dbraw/zinc/17/29/03/229172903.db2.gz LPYPLFPTJFXDRF-WFASDCNBSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000166449724 387654017 /nfs/dbraw/zinc/65/40/17/387654017.db2.gz LPYPLFPTJFXDRF-SWLSCSKDSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000166449835 229173262 /nfs/dbraw/zinc/17/32/62/229173262.db2.gz LPYPLFPTJFXDRF-DOMZBBRYSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C(C)C ZINC000166449905 229173138 /nfs/dbraw/zinc/17/31/38/229173138.db2.gz LPYPLFPTJFXDRF-IUODEOHRSA-N 1 0 217.356 3.616 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccccc1F ZINC000166450706 529595172 /nfs/dbraw/zinc/59/51/72/529595172.db2.gz REEKEYKCPNMAMX-AWEZNQCLSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccccc1F ZINC000166450796 529160127 /nfs/dbraw/zinc/16/01/27/529160127.db2.gz REEKEYKCPNMAMX-CQSZACIVSA-N 1 0 221.319 3.667 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c1C ZINC000166451230 229172974 /nfs/dbraw/zinc/17/29/74/229172974.db2.gz CBBADHGWCUTTHT-UONOGXRCSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(C)C)c1C ZINC000166451305 205636141 /nfs/dbraw/zinc/63/61/41/205636141.db2.gz CBBADHGWCUTTHT-KBPBESRZSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(C)C)c1C ZINC000166451384 385243989 /nfs/dbraw/zinc/24/39/89/385243989.db2.gz CBBADHGWCUTTHT-ZIAGYGMSSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C(C)C)c1C ZINC000166451506 229172887 /nfs/dbraw/zinc/17/28/87/229172887.db2.gz CBBADHGWCUTTHT-KGLIPLIRSA-N 1 0 219.372 3.999 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1cccc(F)c1 ZINC000166452759 355493598 /nfs/dbraw/zinc/49/35/98/355493598.db2.gz GMLPWCNKJGGTHL-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1cccc(F)c1 ZINC000166452842 355493489 /nfs/dbraw/zinc/49/34/89/355493489.db2.gz GMLPWCNKJGGTHL-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166452957 528420289 /nfs/dbraw/zinc/42/02/89/528420289.db2.gz IHOMJMXDWUSLJF-QMTHXVAHSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166453084 528971903 /nfs/dbraw/zinc/97/19/03/528971903.db2.gz IHOMJMXDWUSLJF-IINYFYTJSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000166453204 528421366 /nfs/dbraw/zinc/42/13/66/528421366.db2.gz IHOMJMXDWUSLJF-YGRLFVJLSA-N 1 0 237.774 3.961 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000166453318 528971767 /nfs/dbraw/zinc/97/17/67/528971767.db2.gz IHOMJMXDWUSLJF-HZMBPMFUSA-N 1 0 237.774 3.961 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000166454149 534414910 /nfs/dbraw/zinc/41/49/10/534414910.db2.gz IYLWWYVDDRJVQF-WFASDCNBSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000166454260 534418456 /nfs/dbraw/zinc/41/84/56/534418456.db2.gz IYLWWYVDDRJVQF-SWLSCSKDSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000166454382 534415690 /nfs/dbraw/zinc/41/56/90/534415690.db2.gz IYLWWYVDDRJVQF-DOMZBBRYSA-N 1 0 217.356 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C(C)C ZINC000166454490 385244499 /nfs/dbraw/zinc/24/44/99/385244499.db2.gz IYLWWYVDDRJVQF-IUODEOHRSA-N 1 0 217.356 3.616 20 0 BHADRO CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000166463372 205634659 /nfs/dbraw/zinc/63/46/59/205634659.db2.gz WFAHFBAWGZQHSN-NSHDSACASA-N 1 0 217.312 3.720 20 0 BHADRO CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000166463477 528423772 /nfs/dbraw/zinc/42/37/72/528423772.db2.gz WFAHFBAWGZQHSN-LLVKDONJSA-N 1 0 217.312 3.720 20 0 BHADRO CC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000166470668 528391053 /nfs/dbraw/zinc/39/10/53/528391053.db2.gz IUQVGDBGRICWEB-VHDGCEQUSA-N 1 0 217.356 3.568 20 0 BHADRO CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000166470883 528390826 /nfs/dbraw/zinc/39/08/26/528390826.db2.gz IUQVGDBGRICWEB-AEGPPILISA-N 1 0 217.356 3.568 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000166491176 179196376 /nfs/dbraw/zinc/19/63/76/179196376.db2.gz SOBBPJOBIJKCAN-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000166501924 527752719 /nfs/dbraw/zinc/75/27/19/527752719.db2.gz AWSHXKYXRQEWJC-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000166502045 527754035 /nfs/dbraw/zinc/75/40/35/527754035.db2.gz AWSHXKYXRQEWJC-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000166502187 229173271 /nfs/dbraw/zinc/17/32/71/229173271.db2.gz XJLAUWLCFLSFPY-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000166502299 229173003 /nfs/dbraw/zinc/17/30/03/229173003.db2.gz XJLAUWLCFLSFPY-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc2c(s1)CCC2 ZINC000166507386 533973188 /nfs/dbraw/zinc/97/31/88/533973188.db2.gz RWIVXZADMCWILH-UWVGGRQHSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc2c(s1)CCC2 ZINC000166507521 533495072 /nfs/dbraw/zinc/49/50/72/533495072.db2.gz RWIVXZADMCWILH-VHSXEESVSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)C1CC1 ZINC000166507634 533501750 /nfs/dbraw/zinc/50/17/50/533501750.db2.gz RWIVXZADMCWILH-ZJUUUORDSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc2c(s1)CCC2 ZINC000166507752 533531502 /nfs/dbraw/zinc/53/15/02/533531502.db2.gz RWIVXZADMCWILH-NXEZZACHSA-N 1 0 235.396 3.686 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000166527270 388427845 /nfs/dbraw/zinc/42/78/45/388427845.db2.gz FAKNBCCTYXZTSB-OAHLLOKOSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000166527385 388428587 /nfs/dbraw/zinc/42/85/87/388428587.db2.gz FAKNBCCTYXZTSB-HNNXBMFYSA-N 1 0 217.356 3.519 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)C1(C)CC1 ZINC000166528861 229173351 /nfs/dbraw/zinc/17/33/51/229173351.db2.gz RLTKFXCDBOQJMR-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)C1(C)CC1 ZINC000166528959 229172845 /nfs/dbraw/zinc/17/28/45/229172845.db2.gz RLTKFXCDBOQJMR-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1ccco1 ZINC000166529086 229172871 /nfs/dbraw/zinc/17/28/71/229172871.db2.gz JWSCTNNIUDQAQU-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1ccco1 ZINC000166529199 385250733 /nfs/dbraw/zinc/25/07/33/385250733.db2.gz JWSCTNNIUDQAQU-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1ccoc1 ZINC000166529369 388428432 /nfs/dbraw/zinc/42/84/32/388428432.db2.gz GMLLHYNIJNHYHT-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1ccoc1 ZINC000166529485 388428627 /nfs/dbraw/zinc/42/86/27/388428627.db2.gz GMLLHYNIJNHYHT-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC000166532240 326433054 /nfs/dbraw/zinc/43/30/54/326433054.db2.gz JEXXZOIXYYKZQI-AWEZNQCLSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC000166532367 326433497 /nfs/dbraw/zinc/43/34/97/326433497.db2.gz JEXXZOIXYYKZQI-CQSZACIVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000166539216 633118074 /nfs/dbraw/zinc/11/80/74/633118074.db2.gz ICPZPZMWVWLZQB-NSHDSACASA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000166539341 633117097 /nfs/dbraw/zinc/11/70/97/633117097.db2.gz ICPZPZMWVWLZQB-LLVKDONJSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000166570918 388255251 /nfs/dbraw/zinc/25/52/51/388255251.db2.gz ZHPODIXLNBWQTC-UKRRQHHQSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000166571033 529180377 /nfs/dbraw/zinc/18/03/77/529180377.db2.gz ZHPODIXLNBWQTC-DZGCQCFKSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000166571118 388254905 /nfs/dbraw/zinc/25/49/05/388254905.db2.gz ZHPODIXLNBWQTC-HIFRSBDPSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000166571235 388255068 /nfs/dbraw/zinc/25/50/68/388255068.db2.gz ZHPODIXLNBWQTC-ZFWWWQNUSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)o1)c1cccc(F)c1 ZINC000166573024 385511921 /nfs/dbraw/zinc/51/19/21/385511921.db2.gz JFXNQKKGQCRBAS-HNNXBMFYSA-N 1 0 247.313 3.968 20 0 BHADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1CC1 ZINC000166573050 387671560 /nfs/dbraw/zinc/67/15/60/387671560.db2.gz DDTJSAWTDAZWAK-SECBINFHSA-N 1 0 238.400 3.636 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1cccc(F)c1 ZINC000166573120 385511096 /nfs/dbraw/zinc/51/10/96/385511096.db2.gz JFXNQKKGQCRBAS-OAHLLOKOSA-N 1 0 247.313 3.968 20 0 BHADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1CC1 ZINC000166573148 219964025 /nfs/dbraw/zinc/96/40/25/219964025.db2.gz DDTJSAWTDAZWAK-VIFPVBQESA-N 1 0 238.400 3.636 20 0 BHADRO CCSc1ccccc1[C@@H](C)[NH2+]CC1CC1 ZINC000166574881 529257283 /nfs/dbraw/zinc/25/72/83/529257283.db2.gz FPELJRLYDHJPOR-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO CCSc1ccccc1[C@H](C)[NH2+]CC1CC1 ZINC000166574979 388255288 /nfs/dbraw/zinc/25/52/88/388255288.db2.gz FPELJRLYDHJPOR-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1cccc(F)c1 ZINC000166581487 355697605 /nfs/dbraw/zinc/69/76/05/355697605.db2.gz PWHQUXBZHBZKHM-NSHDSACASA-N 1 0 249.251 3.819 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1cccc(F)c1 ZINC000166581588 355698002 /nfs/dbraw/zinc/69/80/02/355698002.db2.gz PWHQUXBZHBZKHM-LLVKDONJSA-N 1 0 249.251 3.819 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1F ZINC000166586790 355709746 /nfs/dbraw/zinc/70/97/46/355709746.db2.gz BDJXALCXRHNKAY-QWHCGFSZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1F ZINC000166586900 355709964 /nfs/dbraw/zinc/70/99/64/355709964.db2.gz BDJXALCXRHNKAY-CHWSQXEVSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1F ZINC000166587020 355709940 /nfs/dbraw/zinc/70/99/40/355709940.db2.gz BDJXALCXRHNKAY-STQMWFEESA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1F ZINC000166587144 355709440 /nfs/dbraw/zinc/70/94/40/355709440.db2.gz BDJXALCXRHNKAY-OLZOCXBDSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccsc1 ZINC000166603436 388255192 /nfs/dbraw/zinc/25/51/92/388255192.db2.gz RDBJYKXBUHXTEJ-LBPRGKRZSA-N 1 0 223.385 3.973 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccsc1 ZINC000166603553 527416601 /nfs/dbraw/zinc/41/66/01/527416601.db2.gz RDBJYKXBUHXTEJ-GFCCVEGCSA-N 1 0 223.385 3.973 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccsc1 ZINC000166604625 388255016 /nfs/dbraw/zinc/25/50/16/388255016.db2.gz MABKQTNHJDZEAA-JTQLQIEISA-N 1 0 243.441 3.758 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccsc1 ZINC000166604742 388255059 /nfs/dbraw/zinc/25/50/59/388255059.db2.gz MABKQTNHJDZEAA-SNVBAGLBSA-N 1 0 243.441 3.758 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccsc2)o1 ZINC000166607004 385262137 /nfs/dbraw/zinc/26/21/37/385262137.db2.gz NFLLSRAEFIVZSW-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccsc2)o1 ZINC000166607105 385262186 /nfs/dbraw/zinc/26/21/86/385262186.db2.gz NFLLSRAEFIVZSW-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C(C)C)C2CC2)s1 ZINC000166608792 326433792 /nfs/dbraw/zinc/43/37/92/326433792.db2.gz XSEAAHJMODQINN-CQSZACIVSA-N 1 0 237.412 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)s1 ZINC000166608893 388429874 /nfs/dbraw/zinc/42/98/74/388429874.db2.gz XSEAAHJMODQINN-AWEZNQCLSA-N 1 0 237.412 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccoc2)s1 ZINC000166609050 326433836 /nfs/dbraw/zinc/43/38/36/326433836.db2.gz CVYSSJAWROWIKZ-JTQLQIEISA-N 1 0 235.352 3.754 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccoc2)s1 ZINC000166609160 388429306 /nfs/dbraw/zinc/42/93/06/388429306.db2.gz CVYSSJAWROWIKZ-SNVBAGLBSA-N 1 0 235.352 3.754 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000166613541 535932890 /nfs/dbraw/zinc/93/28/90/535932890.db2.gz IDDSILJECQBNTD-CABCVRRESA-N 1 0 233.330 3.975 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000166613655 535808215 /nfs/dbraw/zinc/80/82/15/535808215.db2.gz IDDSILJECQBNTD-HUUCEWRRSA-N 1 0 233.330 3.975 20 0 BHADRO C[C@H](CC[NH2+]C1CC(C)C1)c1ccccc1 ZINC000166628656 388254861 /nfs/dbraw/zinc/25/48/61/388254861.db2.gz PCAXGXGTWQNJLZ-JVWICGRDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](CC[NH2+]C1CC(C)C1)c1ccccc1 ZINC000166628778 388255117 /nfs/dbraw/zinc/25/51/17/388255117.db2.gz PCAXGXGTWQNJLZ-OWYJLGKBSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1C)C1CC1 ZINC000166634174 206141211 /nfs/dbraw/zinc/14/12/11/206141211.db2.gz VWYUCGGGZIDVNL-HNNXBMFYSA-N 1 0 217.356 3.582 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000166634201 636702404 /nfs/dbraw/zinc/70/24/04/636702404.db2.gz QGHSYAUDTYNQHB-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1C)C1CC1 ZINC000166634265 206141347 /nfs/dbraw/zinc/14/13/47/206141347.db2.gz VWYUCGGGZIDVNL-OAHLLOKOSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1c(C)cc(C)cc1C ZINC000166634762 206141084 /nfs/dbraw/zinc/14/10/84/206141084.db2.gz AMOWHFMDGLLJKD-CQSZACIVSA-N 1 0 219.372 3.542 20 0 BHADRO CC[C@H](C)[NH2+]CCc1c(C)cc(C)cc1C ZINC000166634864 206142953 /nfs/dbraw/zinc/14/29/53/206142953.db2.gz AMOWHFMDGLLJKD-AWEZNQCLSA-N 1 0 219.372 3.542 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1sccc1C ZINC000166636720 170369246 /nfs/dbraw/zinc/36/92/46/170369246.db2.gz XQDOFUMFAHKLDH-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1sccc1C ZINC000166636835 170369946 /nfs/dbraw/zinc/36/99/46/170369946.db2.gz XQDOFUMFAHKLDH-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000166644634 206141268 /nfs/dbraw/zinc/14/12/68/206141268.db2.gz ISUKWXFTGUOPND-UMSGYPCISA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCCC1 ZINC000166650784 206140909 /nfs/dbraw/zinc/14/09/09/206140909.db2.gz FPLYEVYCIMNWHF-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CCCC1 ZINC000166650890 206142522 /nfs/dbraw/zinc/14/25/22/206142522.db2.gz FPLYEVYCIMNWHF-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166651010 206140117 /nfs/dbraw/zinc/14/01/17/206140117.db2.gz ZBRBYPPBSBKNQZ-VIFPVBQESA-N 1 0 225.298 3.886 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166651122 386981440 /nfs/dbraw/zinc/98/14/40/386981440.db2.gz ZBRBYPPBSBKNQZ-SECBINFHSA-N 1 0 225.298 3.886 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000166651862 206140923 /nfs/dbraw/zinc/14/09/23/206140923.db2.gz GYGQLZXXFJKOSJ-UHFFFAOYSA-N 1 0 225.282 3.512 20 0 BHADRO CCCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166651941 206142546 /nfs/dbraw/zinc/14/25/46/206142546.db2.gz KJHCBNHNKXOFTM-JTQLQIEISA-N 1 0 225.298 3.887 20 0 BHADRO CCCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000166652046 206141903 /nfs/dbraw/zinc/14/19/03/206141903.db2.gz KJHCBNHNKXOFTM-SNVBAGLBSA-N 1 0 225.298 3.887 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166652147 206141749 /nfs/dbraw/zinc/14/17/49/206141749.db2.gz NRVIZPPOTKGEFQ-ZJUUUORDSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166652270 386981094 /nfs/dbraw/zinc/98/10/94/386981094.db2.gz NRVIZPPOTKGEFQ-UWVGGRQHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166652379 206142533 /nfs/dbraw/zinc/14/25/33/206142533.db2.gz NRVIZPPOTKGEFQ-NXEZZACHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166652504 206142164 /nfs/dbraw/zinc/14/21/64/206142164.db2.gz NRVIZPPOTKGEFQ-VHSXEESVSA-N 1 0 225.298 3.886 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166653317 206141406 /nfs/dbraw/zinc/14/14/06/206141406.db2.gz PVDKEPRJFAHSSP-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000166653418 206140491 /nfs/dbraw/zinc/14/04/91/206140491.db2.gz PVDKEPRJFAHSSP-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166656479 206141929 /nfs/dbraw/zinc/14/19/29/206141929.db2.gz ZZCGVPIRXVLLLL-VHSXEESVSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166656583 206142186 /nfs/dbraw/zinc/14/21/86/206142186.db2.gz ZZCGVPIRXVLLLL-UWVGGRQHSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166656688 206140607 /nfs/dbraw/zinc/14/06/07/206140607.db2.gz ZZCGVPIRXVLLLL-NXEZZACHSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166656803 206143031 /nfs/dbraw/zinc/14/30/31/206143031.db2.gz ZZCGVPIRXVLLLL-ZJUUUORDSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1CCCC1 ZINC000166658608 206141755 /nfs/dbraw/zinc/14/17/55/206141755.db2.gz HHTBLVYRWFRNFX-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1CCCC1 ZINC000166658724 206141877 /nfs/dbraw/zinc/14/18/77/206141877.db2.gz HHTBLVYRWFRNFX-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC(C)(C)C ZINC000166666067 206142036 /nfs/dbraw/zinc/14/20/36/206142036.db2.gz DBOUKWOHLZMMBJ-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC(C)(C)C ZINC000166666169 206142681 /nfs/dbraw/zinc/14/26/81/206142681.db2.gz DBOUKWOHLZMMBJ-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(F)c1 ZINC000166666828 711696763 /nfs/dbraw/zinc/69/67/63/711696763.db2.gz MOAZFJGYZUERML-ABAIWWIYSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(F)c1 ZINC000166666944 711696851 /nfs/dbraw/zinc/69/68/51/711696851.db2.gz MOAZFJGYZUERML-IAQYHMDHSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1cccc(F)c1 ZINC000166667065 711696883 /nfs/dbraw/zinc/69/68/83/711696883.db2.gz MOAZFJGYZUERML-NHYWBVRUSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1cccc(F)c1 ZINC000166667165 711696896 /nfs/dbraw/zinc/69/68/96/711696896.db2.gz MOAZFJGYZUERML-XHDPSFHLSA-N 1 0 235.346 3.913 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166674241 206141552 /nfs/dbraw/zinc/14/15/52/206141552.db2.gz ANFOGADVMOJHBJ-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166674346 206141769 /nfs/dbraw/zinc/14/17/69/206141769.db2.gz ANFOGADVMOJHBJ-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000166674440 206140443 /nfs/dbraw/zinc/14/04/43/206140443.db2.gz ANFOGADVMOJHBJ-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000166674530 206140410 /nfs/dbraw/zinc/14/04/10/206140410.db2.gz ANFOGADVMOJHBJ-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC1CC1 ZINC000166677695 206141854 /nfs/dbraw/zinc/14/18/54/206141854.db2.gz LJWDHMXGWLFCRF-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC1CC1 ZINC000166677774 206140789 /nfs/dbraw/zinc/14/07/89/206140789.db2.gz LJWDHMXGWLFCRF-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166677893 206142596 /nfs/dbraw/zinc/14/25/96/206142596.db2.gz LJWDHMXGWLFCRF-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)CC1CC1 ZINC000166678005 385270289 /nfs/dbraw/zinc/27/02/89/385270289.db2.gz LJWDHMXGWLFCRF-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166679763 206142793 /nfs/dbraw/zinc/14/27/93/206142793.db2.gz IXJXPVNKWFEFCS-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166679883 206141228 /nfs/dbraw/zinc/14/12/28/206141228.db2.gz IXJXPVNKWFEFCS-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000166679991 206142567 /nfs/dbraw/zinc/14/25/67/206142567.db2.gz IXJXPVNKWFEFCS-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000166680095 385270142 /nfs/dbraw/zinc/27/01/42/385270142.db2.gz IXJXPVNKWFEFCS-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO COc1ccsc1C[NH2+]C1(C)CCCCC1 ZINC000166680554 206141002 /nfs/dbraw/zinc/14/10/02/206141002.db2.gz QBDPRNIVBAPDLH-UHFFFAOYSA-N 1 0 239.384 3.569 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1cccc(F)c1 ZINC000166680802 385269600 /nfs/dbraw/zinc/26/96/00/385269600.db2.gz CZBZKILPMLSGFZ-AWEZNQCLSA-N 1 0 233.286 3.660 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(F)c1 ZINC000166680928 346686656 /nfs/dbraw/zinc/68/66/56/346686656.db2.gz CZBZKILPMLSGFZ-CQSZACIVSA-N 1 0 233.286 3.660 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC=CCC1 ZINC000166682721 206141776 /nfs/dbraw/zinc/14/17/76/206141776.db2.gz WZFCJJYOGNLCQB-QWRGUYRKSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC=CCC1 ZINC000166682846 206142152 /nfs/dbraw/zinc/14/21/52/206142152.db2.gz WZFCJJYOGNLCQB-MNOVXSKESA-N 1 0 235.293 3.806 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC=CCC1 ZINC000166682954 206140689 /nfs/dbraw/zinc/14/06/89/206140689.db2.gz WZFCJJYOGNLCQB-WDEREUQCSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC=CCC1 ZINC000166683068 206143047 /nfs/dbraw/zinc/14/30/47/206143047.db2.gz WZFCJJYOGNLCQB-GHMZBOCLSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)C1CC1 ZINC000166698237 538939592 /nfs/dbraw/zinc/93/95/92/538939592.db2.gz OKWWLSONNDTKPW-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)C1CC1 ZINC000166698357 538939377 /nfs/dbraw/zinc/93/93/77/538939377.db2.gz OKWWLSONNDTKPW-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1CC1 ZINC000166698465 538939467 /nfs/dbraw/zinc/93/94/67/538939467.db2.gz OKWWLSONNDTKPW-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)C1CC1 ZINC000166698575 538939489 /nfs/dbraw/zinc/93/94/89/538939489.db2.gz OKWWLSONNDTKPW-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCC1CCC1 ZINC000166700705 633119310 /nfs/dbraw/zinc/11/93/10/633119310.db2.gz IZZHIZUXKZKCEZ-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCC1CCC1 ZINC000166700814 633119457 /nfs/dbraw/zinc/11/94/57/633119457.db2.gz IZZHIZUXKZKCEZ-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000166709247 206141322 /nfs/dbraw/zinc/14/13/22/206141322.db2.gz LSFHAQNYAXQZFO-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000166709369 206142074 /nfs/dbraw/zinc/14/20/74/206142074.db2.gz LSFHAQNYAXQZFO-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1CCC1 ZINC000166709486 206140173 /nfs/dbraw/zinc/14/01/73/206140173.db2.gz LSFHAQNYAXQZFO-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C1CCC1 ZINC000166709597 206140310 /nfs/dbraw/zinc/14/03/10/206140310.db2.gz LSFHAQNYAXQZFO-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCCC1CC1 ZINC000166711098 388431001 /nfs/dbraw/zinc/43/10/01/388431001.db2.gz WANIYIJJQRFPNB-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCCC1CC1 ZINC000166711207 388430825 /nfs/dbraw/zinc/43/08/25/388430825.db2.gz WANIYIJJQRFPNB-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1sccc1OC ZINC000166715510 385275851 /nfs/dbraw/zinc/27/58/51/385275851.db2.gz NNBVKVZRCZFFIC-UHFFFAOYSA-N 1 0 241.400 3.815 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000166759080 206140750 /nfs/dbraw/zinc/14/07/50/206140750.db2.gz KNALWTPZJXRNLQ-SECBINFHSA-N 1 0 246.181 3.924 20 0 BHADRO CC[C@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000166759184 206142425 /nfs/dbraw/zinc/14/24/25/206142425.db2.gz KNALWTPZJXRNLQ-VIFPVBQESA-N 1 0 246.181 3.924 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccoc1 ZINC000166763138 535368666 /nfs/dbraw/zinc/36/86/66/535368666.db2.gz LNYQKIKQRDBQIW-LBPRGKRZSA-N 1 0 207.317 3.504 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000166763247 535363761 /nfs/dbraw/zinc/36/37/61/535363761.db2.gz LNYQKIKQRDBQIW-GFCCVEGCSA-N 1 0 207.317 3.504 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccoc1 ZINC000166765206 133960262 /nfs/dbraw/zinc/96/02/62/133960262.db2.gz QLUFQBIMEQJVDB-DGCLKSJQSA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccoc1 ZINC000166765297 361856155 /nfs/dbraw/zinc/85/61/55/361856155.db2.gz QLUFQBIMEQJVDB-WCQYABFASA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccoc1 ZINC000166765402 133960361 /nfs/dbraw/zinc/96/03/61/133960361.db2.gz QLUFQBIMEQJVDB-YPMHNXCESA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccoc1 ZINC000166765509 133960357 /nfs/dbraw/zinc/96/03/57/133960357.db2.gz QLUFQBIMEQJVDB-AAEUAGOBSA-N 1 0 209.333 3.584 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000166842550 206142936 /nfs/dbraw/zinc/14/29/36/206142936.db2.gz RZCORQXHOZDOHR-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000166842754 206140459 /nfs/dbraw/zinc/14/04/59/206140459.db2.gz RZCORQXHOZDOHR-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000166842986 206141078 /nfs/dbraw/zinc/14/10/78/206141078.db2.gz LSJJNRYNMZIDFW-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000166843222 387728685 /nfs/dbraw/zinc/72/86/85/387728685.db2.gz LSJJNRYNMZIDFW-OBJOEFQTSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000166843510 326435989 /nfs/dbraw/zinc/43/59/89/326435989.db2.gz VPCRXTCHZHEKAT-AGIUHOORSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000166843731 326435916 /nfs/dbraw/zinc/43/59/16/326435916.db2.gz VPCRXTCHZHEKAT-FRRDWIJNSA-N 1 0 221.344 3.757 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(SC)cc1)C1CC1 ZINC000166844546 206141439 /nfs/dbraw/zinc/14/14/39/206141439.db2.gz OMBMVRCWSBRVST-AWEZNQCLSA-N 1 0 235.396 3.687 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)C1CC1 ZINC000166844663 206141487 /nfs/dbraw/zinc/14/14/87/206141487.db2.gz OMBMVRCWSBRVST-CQSZACIVSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC=CC1)CCC2 ZINC000166845477 538939398 /nfs/dbraw/zinc/93/93/98/538939398.db2.gz ROKGXCFGQKQOJD-MRXNPFEDSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC=CC1)CCC2 ZINC000166845572 538939528 /nfs/dbraw/zinc/93/95/28/538939528.db2.gz ROKGXCFGQKQOJD-INIZCTEOSA-N 1 0 227.351 3.681 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166846664 171366625 /nfs/dbraw/zinc/36/66/25/171366625.db2.gz FTESQUMWSVNPDZ-AXFHLTTASA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166846884 171390454 /nfs/dbraw/zinc/39/04/54/171390454.db2.gz FTESQUMWSVNPDZ-DCAQKATOSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000166847129 640680687 /nfs/dbraw/zinc/68/06/87/640680687.db2.gz OSCXQLCGBVIWDR-SDDRHHMPSA-N 1 0 231.449 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000166847358 640680781 /nfs/dbraw/zinc/68/07/81/640680781.db2.gz OSCXQLCGBVIWDR-SRVKXCTJSA-N 1 0 231.449 3.931 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166848052 640680671 /nfs/dbraw/zinc/68/06/71/640680671.db2.gz VMRBGQVLLLHFIB-AXFHLTTASA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166848261 633120712 /nfs/dbraw/zinc/12/07/12/633120712.db2.gz VMRBGQVLLLHFIB-DCAQKATOSA-N 1 0 240.778 3.820 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CC)o1 ZINC000166851750 206140940 /nfs/dbraw/zinc/14/09/40/206140940.db2.gz OZDXGKLAJXBTGP-SRVKXCTJSA-N 1 0 223.360 3.927 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CC)o1 ZINC000166851971 206142614 /nfs/dbraw/zinc/14/26/14/206142614.db2.gz OZDXGKLAJXBTGP-TUAOUCFPSA-N 1 0 223.360 3.927 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1CCCC1 ZINC000166860908 206140246 /nfs/dbraw/zinc/14/02/46/206140246.db2.gz NTOQWQLBYHFYDU-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1CCCC1 ZINC000166861019 386480351 /nfs/dbraw/zinc/48/03/51/386480351.db2.gz NTOQWQLBYHFYDU-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1cccnc1Cl ZINC000166861395 385288885 /nfs/dbraw/zinc/28/88/85/385288885.db2.gz SQPMEUGIYNTAOQ-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1cccnc1Cl ZINC000166861500 385288771 /nfs/dbraw/zinc/28/87/71/385288771.db2.gz SQPMEUGIYNTAOQ-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC1CCCC1 ZINC000166861618 640683433 /nfs/dbraw/zinc/68/34/33/640683433.db2.gz BPLJWPWWUOIHPC-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC1CCCC1 ZINC000166861744 640683568 /nfs/dbraw/zinc/68/35/68/640683568.db2.gz BPLJWPWWUOIHPC-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccnc(Cl)c1 ZINC000166862350 633120557 /nfs/dbraw/zinc/12/05/57/633120557.db2.gz VILXGVPEIOSUMT-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccnc(Cl)c1 ZINC000166862471 633121642 /nfs/dbraw/zinc/12/16/42/633121642.db2.gz VILXGVPEIOSUMT-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2CCCC2)o1 ZINC000166866015 206140535 /nfs/dbraw/zinc/14/05/35/206140535.db2.gz IUJYJCYNTZDGJL-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2CCCC2)o1 ZINC000166866129 206141394 /nfs/dbraw/zinc/14/13/94/206141394.db2.gz IUJYJCYNTZDGJL-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO CC[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000166873649 355859119 /nfs/dbraw/zinc/85/91/19/355859119.db2.gz LFSHSRJIUVDWLY-NSHDSACASA-N 1 0 247.260 3.646 20 0 BHADRO CC[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000166873770 535516164 /nfs/dbraw/zinc/51/61/64/535516164.db2.gz LFSHSRJIUVDWLY-LLVKDONJSA-N 1 0 247.260 3.646 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cccnc1Cl ZINC000166902886 633120744 /nfs/dbraw/zinc/12/07/44/633120744.db2.gz ZCDGVWGNZCJNMC-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccnc(Cl)c1 ZINC000166903671 633122331 /nfs/dbraw/zinc/12/23/31/633122331.db2.gz ZDFOVMSBNTVGLP-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccnc(Cl)c1 ZINC000166903781 633122238 /nfs/dbraw/zinc/12/22/38/633122238.db2.gz ZDFOVMSBNTVGLP-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000166906248 385288095 /nfs/dbraw/zinc/28/80/95/385288095.db2.gz SFKPMMDJAKMCIX-LLVKDONJSA-N 1 0 223.360 3.929 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000166906357 206140707 /nfs/dbraw/zinc/14/07/07/206140707.db2.gz SFKPMMDJAKMCIX-NSHDSACASA-N 1 0 223.360 3.929 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000166908119 326436911 /nfs/dbraw/zinc/43/69/11/326436911.db2.gz COKOBVNCSIYHGC-CYBMUJFWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000166908220 326436665 /nfs/dbraw/zinc/43/66/65/326436665.db2.gz COKOBVNCSIYHGC-ZDUSSCGKSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1C ZINC000166916265 206141334 /nfs/dbraw/zinc/14/13/34/206141334.db2.gz YLABAMSKHYUAEM-UBHSHLNASA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1C ZINC000166916482 206140108 /nfs/dbraw/zinc/14/01/08/206140108.db2.gz YLABAMSKHYUAEM-FPMFFAJLSA-N 1 0 217.356 3.610 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166920568 206141458 /nfs/dbraw/zinc/14/14/58/206141458.db2.gz UVFDXUNJZOTYCV-GPCCPHFNSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000166920794 206141858 /nfs/dbraw/zinc/14/18/58/206141858.db2.gz UVFDXUNJZOTYCV-ISTVAULSSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc2c(s1)CCC2 ZINC000166922794 206141113 /nfs/dbraw/zinc/14/11/13/206141113.db2.gz ZXLMRSXMBJADRN-JFGNBEQYSA-N 1 0 235.396 3.543 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000166922894 206141969 /nfs/dbraw/zinc/14/19/69/206141969.db2.gz ZXLMRSXMBJADRN-JBLDHEPKSA-N 1 0 235.396 3.543 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc2c(s1)CCC2 ZINC000166922989 206142349 /nfs/dbraw/zinc/14/23/49/206142349.db2.gz ZXLMRSXMBJADRN-SCVCMEIPSA-N 1 0 235.396 3.543 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000166923098 206141946 /nfs/dbraw/zinc/14/19/46/206141946.db2.gz ZXLMRSXMBJADRN-NHCYSSNCSA-N 1 0 235.396 3.543 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C1CCCCC1 ZINC000166932296 206141018 /nfs/dbraw/zinc/14/10/18/206141018.db2.gz RFHQQRAJHMLVLC-UBHSHLNASA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)C1CCCCC1 ZINC000166932504 206142147 /nfs/dbraw/zinc/14/21/47/206142147.db2.gz RFHQQRAJHMLVLC-YUTCNCBUSA-N 1 0 209.377 3.591 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)C[C@H](C)CC ZINC000166938563 385292455 /nfs/dbraw/zinc/29/24/55/385292455.db2.gz QSMVKBAWNCQMDK-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000166938672 206141065 /nfs/dbraw/zinc/14/10/65/206141065.db2.gz QSMVKBAWNCQMDK-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)C[C@H](C)CC ZINC000166938779 385290611 /nfs/dbraw/zinc/29/06/11/385290611.db2.gz QSMVKBAWNCQMDK-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000166938886 206141094 /nfs/dbraw/zinc/14/10/94/206141094.db2.gz QSMVKBAWNCQMDK-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+]C1CCCCCCC1 ZINC000166941997 633124618 /nfs/dbraw/zinc/12/46/18/633124618.db2.gz SZRFJDOPRJZXKZ-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000166950305 206140235 /nfs/dbraw/zinc/14/02/35/206140235.db2.gz CJQWEIFFSJCYMZ-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000166950407 206142020 /nfs/dbraw/zinc/14/20/20/206142020.db2.gz CJQWEIFFSJCYMZ-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cncs1 ZINC000166951129 206140885 /nfs/dbraw/zinc/14/08/85/206140885.db2.gz DNWLNOSQOFUUPR-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cncs1 ZINC000166951239 206140891 /nfs/dbraw/zinc/14/08/91/206140891.db2.gz DNWLNOSQOFUUPR-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000166951929 206140853 /nfs/dbraw/zinc/14/08/53/206140853.db2.gz KHWSNFIBTFUUPV-GVXVVHGQSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccoc1 ZINC000166952604 323078192 /nfs/dbraw/zinc/07/81/92/323078192.db2.gz LOLCLLSHPFWDGK-SRVKXCTJSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccoc1 ZINC000166952710 388435111 /nfs/dbraw/zinc/43/51/11/388435111.db2.gz LOLCLLSHPFWDGK-UTUOFQBUSA-N 1 0 221.344 3.755 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2CCC2)c1C ZINC000166955191 206141803 /nfs/dbraw/zinc/14/18/03/206141803.db2.gz BIDPLMMDXZNOMC-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2CCC2)c1C ZINC000166955306 206141309 /nfs/dbraw/zinc/14/13/09/206141309.db2.gz BIDPLMMDXZNOMC-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@@H](C)c1ccccc1 ZINC000166955400 538939507 /nfs/dbraw/zinc/93/95/07/538939507.db2.gz TYFYOMYUWZUBCD-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@H](C)c1ccccc1 ZINC000166955498 538939304 /nfs/dbraw/zinc/93/93/04/538939304.db2.gz TYFYOMYUWZUBCD-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)[C@@H](C)c1ccccc1 ZINC000166955612 538940286 /nfs/dbraw/zinc/94/02/86/538940286.db2.gz TYFYOMYUWZUBCD-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CCC1 ZINC000166955721 538940234 /nfs/dbraw/zinc/94/02/34/538940234.db2.gz TYFYOMYUWZUBCD-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC(C)(C)OCC ZINC000166957355 633124315 /nfs/dbraw/zinc/12/43/15/633124315.db2.gz DVRNJDNLTKAHEK-CYBMUJFWSA-N 1 0 229.408 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC(C)(C)OCC ZINC000166957434 640692554 /nfs/dbraw/zinc/69/25/54/640692554.db2.gz DVRNJDNLTKAHEK-ZDUSSCGKSA-N 1 0 229.408 3.750 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]CC1CCC1 ZINC000166957647 326437365 /nfs/dbraw/zinc/43/73/65/326437365.db2.gz APYHRACZBQFVOD-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]CC1CCC1 ZINC000166957757 326437354 /nfs/dbraw/zinc/43/73/54/326437354.db2.gz APYHRACZBQFVOD-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)c1cccs1 ZINC000166957798 206019953 /nfs/dbraw/zinc/01/99/53/206019953.db2.gz KUZYVQVDBQLCAT-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)c1cccs1 ZINC000166957902 206141256 /nfs/dbraw/zinc/14/12/56/206141256.db2.gz KUZYVQVDBQLCAT-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000166958396 170313864 /nfs/dbraw/zinc/31/38/64/170313864.db2.gz WIQGZVSBBDBNAH-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000166958507 170313756 /nfs/dbraw/zinc/31/37/56/170313756.db2.gz WIQGZVSBBDBNAH-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cc2c(s1)CCC2 ZINC000166958700 206142066 /nfs/dbraw/zinc/14/20/66/206142066.db2.gz WOTUPLGJXFAOIK-JTQLQIEISA-N 1 0 235.396 3.688 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cc2c(s1)CCC2 ZINC000166958817 206142340 /nfs/dbraw/zinc/14/23/40/206142340.db2.gz WOTUPLGJXFAOIK-SNVBAGLBSA-N 1 0 235.396 3.688 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000166964908 206142477 /nfs/dbraw/zinc/14/24/77/206142477.db2.gz ZWMMCXNAAZXOLS-LBPRGKRZSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000166965022 206141282 /nfs/dbraw/zinc/14/12/82/206141282.db2.gz ZWMMCXNAAZXOLS-GFCCVEGCSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000166965131 633123586 /nfs/dbraw/zinc/12/35/86/633123586.db2.gz NQMFLALHFKFRBB-JTQLQIEISA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000166965240 633123920 /nfs/dbraw/zinc/12/39/20/633123920.db2.gz NQMFLALHFKFRBB-SNVBAGLBSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CC=CCC1 ZINC000166968781 633123840 /nfs/dbraw/zinc/12/38/40/633123840.db2.gz JWUOZDURRBJOFD-STQMWFEESA-N 1 0 241.444 3.853 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CC=CCC1 ZINC000166968885 633123149 /nfs/dbraw/zinc/12/31/49/633123149.db2.gz JWUOZDURRBJOFD-OLZOCXBDSA-N 1 0 241.444 3.853 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC=CCC1 ZINC000166968978 633122945 /nfs/dbraw/zinc/12/29/45/633122945.db2.gz JWUOZDURRBJOFD-QWHCGFSZSA-N 1 0 241.444 3.853 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC=CCC1 ZINC000166969104 633124168 /nfs/dbraw/zinc/12/41/68/633124168.db2.gz JWUOZDURRBJOFD-CHWSQXEVSA-N 1 0 241.444 3.853 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000166970011 346176432 /nfs/dbraw/zinc/17/64/32/346176432.db2.gz YHCNJEWDZZQARB-BFHYXJOUSA-N 1 0 239.428 3.607 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000166971289 206141699 /nfs/dbraw/zinc/14/16/99/206141699.db2.gz DPLAESGXRVWORV-SECBINFHSA-N 1 0 246.181 3.924 20 0 BHADRO CC[C@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000166971398 206141818 /nfs/dbraw/zinc/14/18/18/206141818.db2.gz DPLAESGXRVWORV-VIFPVBQESA-N 1 0 246.181 3.924 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166980675 206141910 /nfs/dbraw/zinc/14/19/10/206141910.db2.gz NTASJPSHXTZOSS-NXEZZACHSA-N 1 0 245.819 3.968 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166980771 206142819 /nfs/dbraw/zinc/14/28/19/206142819.db2.gz NTASJPSHXTZOSS-VHSXEESVSA-N 1 0 245.819 3.968 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166980856 206140840 /nfs/dbraw/zinc/14/08/40/206140840.db2.gz NTASJPSHXTZOSS-ZJUUUORDSA-N 1 0 245.819 3.968 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166980939 206142384 /nfs/dbraw/zinc/14/23/84/206142384.db2.gz NTASJPSHXTZOSS-UWVGGRQHSA-N 1 0 245.819 3.968 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166983193 206142971 /nfs/dbraw/zinc/14/29/71/206142971.db2.gz MYBNOHVBNGIUTR-SNVBAGLBSA-N 1 0 245.819 3.968 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000166983295 206140314 /nfs/dbraw/zinc/14/03/14/206140314.db2.gz MYBNOHVBNGIUTR-JTQLQIEISA-N 1 0 245.819 3.968 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCc1ccc(Cl)s1 ZINC000166983853 206142583 /nfs/dbraw/zinc/14/25/83/206142583.db2.gz OEJBVOXIENBYDC-VIFPVBQESA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCc1ccc(Cl)s1 ZINC000166983963 206140917 /nfs/dbraw/zinc/14/09/17/206140917.db2.gz OEJBVOXIENBYDC-SECBINFHSA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(Cl)s1)C(C)C ZINC000166984301 398310303 /nfs/dbraw/zinc/31/03/03/398310303.db2.gz RDHSGOYPVPWQPL-NSHDSACASA-N 1 0 245.819 3.968 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(Cl)s1)C(C)C ZINC000166984408 206140333 /nfs/dbraw/zinc/14/03/33/206140333.db2.gz RDHSGOYPVPWQPL-LLVKDONJSA-N 1 0 245.819 3.968 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1sccc1C ZINC000166985895 170313449 /nfs/dbraw/zinc/31/34/49/170313449.db2.gz AJTFBAQXNKHLAS-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)C(C)(C)C ZINC000166985899 206142030 /nfs/dbraw/zinc/14/20/30/206142030.db2.gz UQFQZXJUCKHBMN-VIFPVBQESA-N 1 0 245.819 3.968 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1sccc1C ZINC000166985989 170314091 /nfs/dbraw/zinc/31/40/91/170314091.db2.gz AJTFBAQXNKHLAS-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)C(C)(C)C ZINC000166985996 206140465 /nfs/dbraw/zinc/14/04/65/206140465.db2.gz UQFQZXJUCKHBMN-SECBINFHSA-N 1 0 245.819 3.968 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)C1(C)CC1 ZINC000166986114 206141787 /nfs/dbraw/zinc/14/17/87/206141787.db2.gz TULUFMACGXPSHD-VIFPVBQESA-N 1 0 243.803 3.722 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)C1(C)CC1 ZINC000166986219 206141781 /nfs/dbraw/zinc/14/17/81/206141781.db2.gz TULUFMACGXPSHD-SECBINFHSA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(Cl)s1)C1CC1 ZINC000166987083 206142118 /nfs/dbraw/zinc/14/21/18/206142118.db2.gz AMMGNTJRMYAJIE-NSHDSACASA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(Cl)s1)C1CC1 ZINC000166987196 206141813 /nfs/dbraw/zinc/14/18/13/206141813.db2.gz AMMGNTJRMYAJIE-LLVKDONJSA-N 1 0 243.803 3.722 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)o1 ZINC000167001590 538079631 /nfs/dbraw/zinc/07/96/31/538079631.db2.gz VLMBBPTVJUSSTI-GHMZBOCLSA-N 1 0 221.344 3.539 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)o1 ZINC000167001699 538079501 /nfs/dbraw/zinc/07/95/01/538079501.db2.gz VLMBBPTVJUSSTI-MNOVXSKESA-N 1 0 221.344 3.539 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)o1 ZINC000167001803 538079522 /nfs/dbraw/zinc/07/95/22/538079522.db2.gz VLMBBPTVJUSSTI-WDEREUQCSA-N 1 0 221.344 3.539 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)o1 ZINC000167001887 538079602 /nfs/dbraw/zinc/07/96/02/538079602.db2.gz VLMBBPTVJUSSTI-QWRGUYRKSA-N 1 0 221.344 3.539 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c1C ZINC000167033583 326438714 /nfs/dbraw/zinc/43/87/14/326438714.db2.gz QBRMKSKHTMNEHT-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)c1C ZINC000167033683 326438705 /nfs/dbraw/zinc/43/87/05/326438705.db2.gz QBRMKSKHTMNEHT-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c1C ZINC000167033794 326438801 /nfs/dbraw/zinc/43/88/01/326438801.db2.gz QBRMKSKHTMNEHT-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c1C ZINC000167033896 388437563 /nfs/dbraw/zinc/43/75/63/388437563.db2.gz QBRMKSKHTMNEHT-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1csc2ccccc12 ZINC000167059549 206141953 /nfs/dbraw/zinc/14/19/53/206141953.db2.gz RVLXMCJGMVSBNY-LLVKDONJSA-N 1 0 233.380 3.832 20 0 BHADRO CC[C@H](C)[NH2+]CCc1csc2ccccc12 ZINC000167059655 206142638 /nfs/dbraw/zinc/14/26/38/206142638.db2.gz RVLXMCJGMVSBNY-NSHDSACASA-N 1 0 233.380 3.832 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000167090177 206145746 /nfs/dbraw/zinc/14/57/46/206145746.db2.gz MGJSZKDCAUTBCR-SKDRFNHKSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000167090289 385298795 /nfs/dbraw/zinc/29/87/95/385298795.db2.gz MGJSZKDCAUTBCR-CABZTGNLSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000167090387 206143449 /nfs/dbraw/zinc/14/34/49/206143449.db2.gz MGJSZKDCAUTBCR-BXKDBHETSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000167090490 206144716 /nfs/dbraw/zinc/14/47/16/206144716.db2.gz MGJSZKDCAUTBCR-JOYOIKCWSA-N 1 0 241.737 3.757 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC000167091705 206144067 /nfs/dbraw/zinc/14/40/67/206144067.db2.gz FWQXFIWZMPDMBQ-LLVKDONJSA-N 1 0 225.763 3.517 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC000167091826 206144263 /nfs/dbraw/zinc/14/42/63/206144263.db2.gz FWQXFIWZMPDMBQ-NSHDSACASA-N 1 0 225.763 3.517 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)C1(C)CC1 ZINC000167092847 206145678 /nfs/dbraw/zinc/14/56/78/206145678.db2.gz YXYMABVRLOCSLB-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)C1(C)CC1 ZINC000167092962 206143629 /nfs/dbraw/zinc/14/36/29/206143629.db2.gz YXYMABVRLOCSLB-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]([NH2+]CCc1ccccc1Cl)C1CC1 ZINC000167093098 206143850 /nfs/dbraw/zinc/14/38/50/206143850.db2.gz SZGNDAWJDJEHLT-AWEZNQCLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccccc1Cl)C1CC1 ZINC000167093207 205637692 /nfs/dbraw/zinc/63/76/92/205637692.db2.gz SZGNDAWJDJEHLT-CQSZACIVSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)c1cccc(C)c1 ZINC000167096245 206145520 /nfs/dbraw/zinc/14/55/20/206145520.db2.gz AQVWHTKLLMFTOY-CYBMUJFWSA-N 1 0 219.372 3.661 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)c1cccc(C)c1 ZINC000167096355 206144587 /nfs/dbraw/zinc/14/45/87/206144587.db2.gz AQVWHTKLLMFTOY-ZDUSSCGKSA-N 1 0 219.372 3.661 20 0 BHADRO C[C@H]([NH2+]Cc1c(F)cccc1Cl)C1(C)CC1 ZINC000167097622 355955748 /nfs/dbraw/zinc/95/57/48/355955748.db2.gz KLYKSMYXQWVCHY-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C1(C)CC1 ZINC000167097728 355955955 /nfs/dbraw/zinc/95/59/55/355955955.db2.gz KLYKSMYXQWVCHY-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]([NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000167097844 206146276 /nfs/dbraw/zinc/14/62/76/206146276.db2.gz FCMOIGFSBCDIRP-ZDUSSCGKSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000167097948 206143275 /nfs/dbraw/zinc/14/32/75/206143275.db2.gz FCMOIGFSBCDIRP-CYBMUJFWSA-N 1 0 241.737 3.757 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000167098472 538939873 /nfs/dbraw/zinc/93/98/73/538939873.db2.gz UCRGUDGGKZNKSZ-HNNXBMFYSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000167098584 538939995 /nfs/dbraw/zinc/93/99/95/538939995.db2.gz UCRGUDGGKZNKSZ-OAHLLOKOSA-N 1 0 217.356 3.527 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000167136100 174183969 /nfs/dbraw/zinc/18/39/69/174183969.db2.gz FYIGBWBAURGALS-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000167136208 174183422 /nfs/dbraw/zinc/18/34/22/174183422.db2.gz FYIGBWBAURGALS-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000167161658 206146236 /nfs/dbraw/zinc/14/62/36/206146236.db2.gz WEUFWLLHFROULJ-ZDUSSCGKSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)C(C)(C)C)c1 ZINC000167161762 206145898 /nfs/dbraw/zinc/14/58/98/206145898.db2.gz WEUFWLLHFROULJ-CYBMUJFWSA-N 1 0 219.372 3.562 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)c1ccccc1C ZINC000167187270 206143941 /nfs/dbraw/zinc/14/39/41/206143941.db2.gz FKACOFXBJMSNIK-CYBMUJFWSA-N 1 0 219.372 3.661 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)c1ccccc1C ZINC000167187372 206144257 /nfs/dbraw/zinc/14/42/57/206144257.db2.gz FKACOFXBJMSNIK-ZDUSSCGKSA-N 1 0 219.372 3.661 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000167230332 206145971 /nfs/dbraw/zinc/14/59/71/206145971.db2.gz LTEZIFRONYPCOG-LLVKDONJSA-N 1 0 237.774 3.760 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000167230386 219866050 /nfs/dbraw/zinc/86/60/50/219866050.db2.gz LTEZIFRONYPCOG-NSHDSACASA-N 1 0 237.774 3.760 20 0 BHADRO CC[C@@H](C)[NH2+]CCCCCc1ccccc1 ZINC000167231056 206143989 /nfs/dbraw/zinc/14/39/89/206143989.db2.gz MKSBFBYOGOWGJT-CQSZACIVSA-N 1 0 219.372 3.788 20 0 BHADRO CC[C@H](C)[NH2+]CCCCCc1ccccc1 ZINC000167231168 206146230 /nfs/dbraw/zinc/14/62/30/206146230.db2.gz MKSBFBYOGOWGJT-AWEZNQCLSA-N 1 0 219.372 3.788 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000167237362 206144569 /nfs/dbraw/zinc/14/45/69/206144569.db2.gz INDDIUVOCUHEJE-ZFWWWQNUSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000167237472 262815165 /nfs/dbraw/zinc/81/51/65/262815165.db2.gz INDDIUVOCUHEJE-DZGCQCFKSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000167237564 387786151 /nfs/dbraw/zinc/78/61/51/387786151.db2.gz INDDIUVOCUHEJE-HIFRSBDPSA-N 1 0 219.372 3.786 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000167237675 387786507 /nfs/dbraw/zinc/78/65/07/387786507.db2.gz INDDIUVOCUHEJE-UKRRQHHQSA-N 1 0 219.372 3.786 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000167241992 206145101 /nfs/dbraw/zinc/14/51/01/206145101.db2.gz XZTDFPXLNZNZFD-OLZOCXBDSA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000167242095 206146079 /nfs/dbraw/zinc/14/60/79/206146079.db2.gz XZTDFPXLNZNZFD-STQMWFEESA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000167242196 206145029 /nfs/dbraw/zinc/14/50/29/206145029.db2.gz XZTDFPXLNZNZFD-CHWSQXEVSA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000167242303 206144581 /nfs/dbraw/zinc/14/45/81/206144581.db2.gz XZTDFPXLNZNZFD-QWHCGFSZSA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)c1ccc(C)cc1 ZINC000167249253 206143935 /nfs/dbraw/zinc/14/39/35/206143935.db2.gz RHLBQUMUTWIQCP-CYBMUJFWSA-N 1 0 219.372 3.661 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)c1ccc(C)cc1 ZINC000167249335 206144136 /nfs/dbraw/zinc/14/41/36/206144136.db2.gz RHLBQUMUTWIQCP-ZDUSSCGKSA-N 1 0 219.372 3.661 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000167269052 206146418 /nfs/dbraw/zinc/14/64/18/206146418.db2.gz LCKDBIFPJYHLBS-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000167269161 206145612 /nfs/dbraw/zinc/14/56/12/206145612.db2.gz LCKDBIFPJYHLBS-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000167269271 206144879 /nfs/dbraw/zinc/14/48/79/206144879.db2.gz LCKDBIFPJYHLBS-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000167269384 206145766 /nfs/dbraw/zinc/14/57/66/206145766.db2.gz LCKDBIFPJYHLBS-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1scnc1C ZINC000167366066 187303075 /nfs/dbraw/zinc/30/30/75/187303075.db2.gz AFVQFUUXSCGKKM-NSHDSACASA-N 1 0 238.400 3.676 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1scnc1C ZINC000167366167 187475372 /nfs/dbraw/zinc/47/53/72/187475372.db2.gz AFVQFUUXSCGKKM-LLVKDONJSA-N 1 0 238.400 3.676 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncs1)C(C)(C)C ZINC000167377726 206021066 /nfs/dbraw/zinc/02/10/66/206021066.db2.gz QXRDJAMBLKLASM-ONGXEEELSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cncs1)C(C)(C)C ZINC000167377841 206143777 /nfs/dbraw/zinc/14/37/77/206143777.db2.gz QXRDJAMBLKLASM-GXSJLCMTSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc2cnccc21 ZINC000167377919 538941291 /nfs/dbraw/zinc/94/12/91/538941291.db2.gz FHKAZTFHTWLZGH-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncs1)C(C)(C)C ZINC000167377955 206144889 /nfs/dbraw/zinc/14/48/89/206144889.db2.gz QXRDJAMBLKLASM-KOLCDFICSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cncs1)C(C)(C)C ZINC000167378072 206144725 /nfs/dbraw/zinc/14/47/25/206144725.db2.gz QXRDJAMBLKLASM-MWLCHTKSSA-N 1 0 226.389 3.618 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](CC)C(C)(C)C ZINC000167380870 206144961 /nfs/dbraw/zinc/14/49/61/206144961.db2.gz CJEYIKYUADVUJN-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](CC)C(C)(C)C ZINC000167380983 385310652 /nfs/dbraw/zinc/31/06/52/385310652.db2.gz CJEYIKYUADVUJN-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](CC)C(C)(C)C ZINC000167381085 206143733 /nfs/dbraw/zinc/14/37/33/206143733.db2.gz CJEYIKYUADVUJN-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](CC)C(C)(C)C ZINC000167381193 206145755 /nfs/dbraw/zinc/14/57/55/206145755.db2.gz CJEYIKYUADVUJN-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccco1)C(C)(C)C ZINC000167381310 206020597 /nfs/dbraw/zinc/02/05/97/206020597.db2.gz JCNDCNKOJCRVLB-JQWIXIFHSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccco1)C(C)(C)C ZINC000167381418 206144823 /nfs/dbraw/zinc/14/48/23/206144823.db2.gz JCNDCNKOJCRVLB-CMPLNLGQSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccco1)C(C)(C)C ZINC000167381522 206144486 /nfs/dbraw/zinc/14/44/86/206144486.db2.gz JCNDCNKOJCRVLB-PWSUYJOCSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccco1)C(C)(C)C ZINC000167381631 206146394 /nfs/dbraw/zinc/14/63/94/206146394.db2.gz JCNDCNKOJCRVLB-ZYHUDNBSSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc2cnccc21 ZINC000167387809 538941086 /nfs/dbraw/zinc/94/10/86/538941086.db2.gz RCKHOAQLZMDSCW-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccoc1)C(C)(C)C ZINC000167388164 364792920 /nfs/dbraw/zinc/79/29/20/364792920.db2.gz VXPBFRIDNNRKOT-JQWIXIFHSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccoc1)C(C)(C)C ZINC000167388270 364792935 /nfs/dbraw/zinc/79/29/35/364792935.db2.gz VXPBFRIDNNRKOT-CMPLNLGQSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccoc1)C(C)(C)C ZINC000167388375 364792824 /nfs/dbraw/zinc/79/28/24/364792824.db2.gz VXPBFRIDNNRKOT-PWSUYJOCSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccoc1)C(C)(C)C ZINC000167388489 364792634 /nfs/dbraw/zinc/79/26/34/364792634.db2.gz VXPBFRIDNNRKOT-ZYHUDNBSSA-N 1 0 209.333 3.755 20 0 BHADRO c1cc2cnccc2c(C[NH2+]CCCC2CC2)c1 ZINC000167392613 538941173 /nfs/dbraw/zinc/94/11/73/538941173.db2.gz JDPUECJXLHZWFD-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO c1cc2cnccc2c(C[NH2+]CCC2CCC2)c1 ZINC000167400301 640716879 /nfs/dbraw/zinc/71/68/79/640716879.db2.gz LVSPPZSOBBOYDK-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1CCCC1 ZINC000167448583 206144739 /nfs/dbraw/zinc/14/47/39/206144739.db2.gz GOUWBFSSOGDTFS-ACCUITESSA-N 1 0 215.340 3.622 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)cs1 ZINC000167458140 538941631 /nfs/dbraw/zinc/94/16/31/538941631.db2.gz NCSIMWOPIRCXED-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CC2CCC2)cs1 ZINC000167458254 538941902 /nfs/dbraw/zinc/94/19/02/538941902.db2.gz NCSIMWOPIRCXED-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CC2CCC2)cs1 ZINC000167458365 538941840 /nfs/dbraw/zinc/94/18/40/538941840.db2.gz NCSIMWOPIRCXED-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CC2CCC2)cs1 ZINC000167458463 538941993 /nfs/dbraw/zinc/94/19/93/538941993.db2.gz NCSIMWOPIRCXED-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@H](C[NH2+]C(C1CC1)C1CC1)Cc1cccs1 ZINC000167462427 344081308 /nfs/dbraw/zinc/08/13/08/344081308.db2.gz NCCFRYVLCYCYHH-NSHDSACASA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)Cc1cccs1 ZINC000167462562 344081297 /nfs/dbraw/zinc/08/12/97/344081297.db2.gz NCCFRYVLCYCYHH-LLVKDONJSA-N 1 0 249.423 3.705 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)Cc1cccs1 ZINC000167464852 206144767 /nfs/dbraw/zinc/14/47/67/206144767.db2.gz MMTDFFHDAZLSIB-NWDGAFQWSA-N 1 0 225.401 3.561 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)Cc1cccs1 ZINC000167464951 206145822 /nfs/dbraw/zinc/14/58/22/206145822.db2.gz MMTDFFHDAZLSIB-RYUDHWBXSA-N 1 0 225.401 3.561 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](C)Cc1cccs1 ZINC000167465051 206146378 /nfs/dbraw/zinc/14/63/78/206146378.db2.gz MMTDFFHDAZLSIB-VXGBXAGGSA-N 1 0 225.401 3.561 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](C)Cc1cccs1 ZINC000167465163 206145264 /nfs/dbraw/zinc/14/52/64/206145264.db2.gz MMTDFFHDAZLSIB-NEPJUHHUSA-N 1 0 225.401 3.561 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C)cc1C ZINC000167476734 206144480 /nfs/dbraw/zinc/14/44/80/206144480.db2.gz KCPMCLVUFURHMQ-KGLIPLIRSA-N 1 0 219.372 3.623 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C)cc1C ZINC000167476837 387813997 /nfs/dbraw/zinc/81/39/97/387813997.db2.gz KCPMCLVUFURHMQ-KBPBESRZSA-N 1 0 219.372 3.623 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C)cc1C ZINC000167476918 206143538 /nfs/dbraw/zinc/14/35/38/206143538.db2.gz KCPMCLVUFURHMQ-ZIAGYGMSSA-N 1 0 219.372 3.623 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)Cc1ccc(C)cc1C ZINC000167477005 206144376 /nfs/dbraw/zinc/14/43/76/206144376.db2.gz KCPMCLVUFURHMQ-UONOGXRCSA-N 1 0 219.372 3.623 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000167477787 136255299 /nfs/dbraw/zinc/25/52/99/136255299.db2.gz MQJAEWGFGPAEEJ-OAHLLOKOSA-N 1 0 249.423 3.797 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000167477890 134873931 /nfs/dbraw/zinc/87/39/31/134873931.db2.gz MQJAEWGFGPAEEJ-HNNXBMFYSA-N 1 0 249.423 3.797 20 0 BHADRO CC(C)(C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000167484584 206144664 /nfs/dbraw/zinc/14/46/64/206144664.db2.gz XXUHDOOQSMWVGS-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167488316 206145915 /nfs/dbraw/zinc/14/59/15/206145915.db2.gz ZBUVFNHFEKLIGS-DTKUSWDFSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167488426 206145706 /nfs/dbraw/zinc/14/57/06/206145706.db2.gz ZBUVFNHFEKLIGS-OXRVDDMESA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167488536 206145921 /nfs/dbraw/zinc/14/59/21/206145921.db2.gz ZBUVFNHFEKLIGS-RAENNXGVSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167488646 206146457 /nfs/dbraw/zinc/14/64/57/206146457.db2.gz ZBUVFNHFEKLIGS-DEOJBDAVSA-N 1 0 249.785 3.832 20 0 BHADRO Cc1ccc(C2CC([NH2+]Cc3ccoc3)C2)cc1 ZINC000167493861 206146286 /nfs/dbraw/zinc/14/62/86/206146286.db2.gz KENQPQIAAMCUCJ-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO Cc1ccc(C2CC([NH2+]C[C@@H](C)C3CC3)C2)cc1 ZINC000167494990 538941560 /nfs/dbraw/zinc/94/15/60/538941560.db2.gz VMZLEVSEHBHYLW-NVPAJSRCSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc(C2CC([NH2+]C[C@H](C)C3CC3)C2)cc1 ZINC000167495100 538941952 /nfs/dbraw/zinc/94/19/52/538941952.db2.gz VMZLEVSEHBHYLW-IGEOTXOUSA-N 1 0 243.394 3.877 20 0 BHADRO C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000167495653 538941951 /nfs/dbraw/zinc/94/19/51/538941951.db2.gz PPPCVICKKXSQJR-XGNXJENSSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000167495764 538942198 /nfs/dbraw/zinc/94/21/98/538942198.db2.gz PPPCVICKKXSQJR-LMWSTFAQSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccco1)Cc1cccs1 ZINC000167502497 344087586 /nfs/dbraw/zinc/08/75/86/344087586.db2.gz YZSMFQIWQJTNSP-RYUDHWBXSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)Cc1cccs1 ZINC000167502612 344087680 /nfs/dbraw/zinc/08/76/80/344087680.db2.gz YZSMFQIWQJTNSP-NEPJUHHUSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccco1 ZINC000167502716 364795305 /nfs/dbraw/zinc/79/53/05/364795305.db2.gz YZSMFQIWQJTNSP-NWDGAFQWSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccco1)Cc1cccs1 ZINC000167502823 364795577 /nfs/dbraw/zinc/79/55/77/364795577.db2.gz YZSMFQIWQJTNSP-VXGBXAGGSA-N 1 0 249.379 3.871 20 0 BHADRO c1ccc(C2CC([NH2+]CCCC3CC3)C2)cc1 ZINC000167517224 364795049 /nfs/dbraw/zinc/79/50/49/364795049.db2.gz VMDMRWHJLZFIMZ-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO Fc1cccc(C2CC([NH2+]CCCC3CC3)C2)c1 ZINC000167517350 364795968 /nfs/dbraw/zinc/79/59/68/364795968.db2.gz VCLJLCKIISOHMY-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO Fc1ccc(C2CC([NH2+]CCCC3CC3)C2)cc1 ZINC000167517479 364795702 /nfs/dbraw/zinc/79/57/02/364795702.db2.gz QCIXVILRAIHYLD-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO Fc1ccccc1C1CC([NH2+]CCCC2CC2)C1 ZINC000167517838 364795290 /nfs/dbraw/zinc/79/52/90/364795290.db2.gz KYCAXBPTSWNEBB-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CSC[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167518217 385320183 /nfs/dbraw/zinc/32/01/83/385320183.db2.gz ZSJRAJARHFXNND-GRTSSRMGSA-N 1 0 249.423 3.582 20 0 BHADRO CSC[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167518318 206146131 /nfs/dbraw/zinc/14/61/31/206146131.db2.gz ZSJRAJARHFXNND-LRVUVFPRSA-N 1 0 249.423 3.582 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)Cc1cccs1 ZINC000167521839 206145339 /nfs/dbraw/zinc/14/53/39/206145339.db2.gz DPQHVHUJXNIUHE-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)Cc1cccs1 ZINC000167521954 206144918 /nfs/dbraw/zinc/14/49/18/206144918.db2.gz DPQHVHUJXNIUHE-NEPJUHHUSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C1(C)CC1 ZINC000167522056 206021939 /nfs/dbraw/zinc/02/19/39/206021939.db2.gz DPQHVHUJXNIUHE-NWDGAFQWSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1(C)CC1)Cc1cccs1 ZINC000167522167 206145138 /nfs/dbraw/zinc/14/51/38/206145138.db2.gz DPQHVHUJXNIUHE-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO Cc1ccc(C2CC([NH2+]C3CC(C)C3)C2)cc1 ZINC000167533837 206148023 /nfs/dbraw/zinc/14/80/23/206148023.db2.gz UDFLPYKRYZFNDS-UHFFFAOYSA-N 1 0 229.367 3.629 20 0 BHADRO CC1CC([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000167533963 206148378 /nfs/dbraw/zinc/14/83/78/206148378.db2.gz AFISPHNCUQUVIM-UHFFFAOYSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C2CC(C)C2)C1 ZINC000167534067 386969502 /nfs/dbraw/zinc/96/95/02/386969502.db2.gz QGNKLHJZFBVPCT-UHFFFAOYSA-N 1 0 229.367 3.629 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(C)(C)C ZINC000167537452 488176551 /nfs/dbraw/zinc/17/65/51/488176551.db2.gz PIFHSZWLJLJRLN-WDEREUQCSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)C(C)(C)C ZINC000167537563 488176648 /nfs/dbraw/zinc/17/66/48/488176648.db2.gz PIFHSZWLJLJRLN-GHMZBOCLSA-N 1 0 225.401 3.703 20 0 BHADRO Cc1ccc(C2CC([NH2+]C3CC=CC3)C2)cc1 ZINC000167539477 538942334 /nfs/dbraw/zinc/94/23/34/538942334.db2.gz UWMWZRHXNFGQII-UHFFFAOYSA-N 1 0 227.351 3.549 20 0 BHADRO Clc1cccc(C2CC([NH2+]C3CC=CC3)C2)c1 ZINC000167539591 538942563 /nfs/dbraw/zinc/94/25/63/538942563.db2.gz VBMJXPLIKVEACJ-UHFFFAOYSA-N 1 0 247.769 3.894 20 0 BHADRO c1ccc(C2CC([NH2+]CCC3CCC3)C2)cc1 ZINC000167539995 640727923 /nfs/dbraw/zinc/72/79/23/640727923.db2.gz XFTKJUNGFSWRAE-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO Fc1cccc(C2CC([NH2+]CCC3CCC3)C2)c1 ZINC000167540108 711782970 /nfs/dbraw/zinc/78/29/70/711782970.db2.gz PDVWKSWAPHJLDX-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO Fc1ccc(C2CC([NH2+]CCC3CCC3)C2)cc1 ZINC000167540229 640727384 /nfs/dbraw/zinc/72/73/84/640727384.db2.gz QABJFNRWLIOOSN-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO Fc1ccccc1C1CC([NH2+]CCC2CCC2)C1 ZINC000167540577 640726801 /nfs/dbraw/zinc/72/68/01/640726801.db2.gz OGDRIBNEHDSALL-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Cc1cccs1)C1CC1 ZINC000167541471 206148703 /nfs/dbraw/zinc/14/87/03/206148703.db2.gz YLRZOWNVYILEBN-FZMZJTMJSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C1CC1 ZINC000167541583 206146711 /nfs/dbraw/zinc/14/67/11/206146711.db2.gz YLRZOWNVYILEBN-SMDDNHRTSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Cc1cccs1)C1CC1 ZINC000167541685 206147799 /nfs/dbraw/zinc/14/77/99/206147799.db2.gz YLRZOWNVYILEBN-RISCZKNCSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Cc1cccs1)C1CC1 ZINC000167541796 206147626 /nfs/dbraw/zinc/14/76/26/206147626.db2.gz YLRZOWNVYILEBN-BXUZGUMPSA-N 1 0 237.412 3.705 20 0 BHADRO CS[C@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167541906 206148410 /nfs/dbraw/zinc/14/84/10/206148410.db2.gz XQGKGQKSSOIJBJ-LRVUVFPRSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167542000 206148099 /nfs/dbraw/zinc/14/80/99/206148099.db2.gz XQGKGQKSSOIJBJ-GRTSSRMGSA-N 1 0 249.423 3.582 20 0 BHADRO C[C@@H]1CC([NH2+]CCCC(F)(F)F)C[C@@H](C)C1 ZINC000167545241 385324305 /nfs/dbraw/zinc/32/43/05/385324305.db2.gz NJSNQKGTOSVJAQ-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CC([NH2+]CCCC(F)(F)F)C[C@H](C)C1 ZINC000167545344 206146777 /nfs/dbraw/zinc/14/67/77/206146777.db2.gz NJSNQKGTOSVJAQ-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000167593631 206147274 /nfs/dbraw/zinc/14/72/74/206147274.db2.gz GJZAKLOCBYZRME-IUODEOHRSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000167593734 206147567 /nfs/dbraw/zinc/14/75/67/206147567.db2.gz GJZAKLOCBYZRME-SWLSCSKDSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000167593845 206148713 /nfs/dbraw/zinc/14/87/13/206148713.db2.gz GJZAKLOCBYZRME-DOMZBBRYSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000167593956 206148686 /nfs/dbraw/zinc/14/86/86/206148686.db2.gz GJZAKLOCBYZRME-WFASDCNBSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cc(N[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000167616192 134153477 /nfs/dbraw/zinc/15/34/77/134153477.db2.gz HZNVYXXEQGZPCQ-LBPRGKRZSA-N 1 0 212.296 3.563 20 0 BHADRO Cc1cc(N[C@H](C)c2ccccc2)cc[nH+]1 ZINC000167616306 134153415 /nfs/dbraw/zinc/15/34/15/134153415.db2.gz HZNVYXXEQGZPCQ-GFCCVEGCSA-N 1 0 212.296 3.563 20 0 BHADRO Cc1cc(NCc2ccc(Cl)cc2)cc[nH+]1 ZINC000167616421 134153145 /nfs/dbraw/zinc/15/31/45/134153145.db2.gz ZYOYFXYEERJNRW-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1cc(NCc2ccccc2Cl)cc[nH+]1 ZINC000167617677 134153012 /nfs/dbraw/zinc/15/30/12/134153012.db2.gz PPDPCRIFEFMDLP-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1cc(NCc2cccc(Cl)c2)cc[nH+]1 ZINC000167617795 134152636 /nfs/dbraw/zinc/15/26/36/134152636.db2.gz IZDHCZRCXGBHJB-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO Cc1cc(NC2CCCCCC2)cc[nH+]1 ZINC000167618595 134152573 /nfs/dbraw/zinc/15/25/73/134152573.db2.gz OCIDLKBWIGIFLV-UHFFFAOYSA-N 1 0 204.317 3.525 20 0 BHADRO CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000167632490 488191411 /nfs/dbraw/zinc/19/14/11/488191411.db2.gz VAZQIGYERUTUGF-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000167690533 206146688 /nfs/dbraw/zinc/14/66/88/206146688.db2.gz DPGNAHHQHLLJPG-ZDUSSCGKSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000167690628 206147677 /nfs/dbraw/zinc/14/76/77/206147677.db2.gz DPGNAHHQHLLJPG-CYBMUJFWSA-N 1 0 241.444 3.854 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CCSCC1 ZINC000167692302 385332332 /nfs/dbraw/zinc/33/23/32/385332332.db2.gz KDEVFSSZHMWYGE-TZMCWYRMSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1CCSCC1 ZINC000167692415 385332844 /nfs/dbraw/zinc/33/28/44/385332844.db2.gz KDEVFSSZHMWYGE-GXTWGEPZSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1CCSCC1 ZINC000167692531 206147602 /nfs/dbraw/zinc/14/76/02/206147602.db2.gz KDEVFSSZHMWYGE-OCCSQVGLSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1CCSCC1 ZINC000167692643 385331362 /nfs/dbraw/zinc/33/13/62/385331362.db2.gz KDEVFSSZHMWYGE-JSGCOSHPSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000167694094 538943749 /nfs/dbraw/zinc/94/37/49/538943749.db2.gz XHUQXPGPSQGLSS-CYBMUJFWSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000167694204 538943794 /nfs/dbraw/zinc/94/37/94/538943794.db2.gz XHUQXPGPSQGLSS-ZDUSSCGKSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCSC1)C(C)(C)C ZINC000167759769 387530588 /nfs/dbraw/zinc/53/05/88/387530588.db2.gz UVUXKWQEFGMGQN-OLZOCXBDSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CCSC1)C(C)(C)C ZINC000167759876 206022739 /nfs/dbraw/zinc/02/27/39/206022739.db2.gz UVUXKWQEFGMGQN-CHWSQXEVSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCSC1)C(C)(C)C ZINC000167759976 206148543 /nfs/dbraw/zinc/14/85/43/206148543.db2.gz UVUXKWQEFGMGQN-STQMWFEESA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CCSC1)C(C)(C)C ZINC000167760090 206147540 /nfs/dbraw/zinc/14/75/40/206147540.db2.gz UVUXKWQEFGMGQN-QWHCGFSZSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccc(O)cc1 ZINC000167849186 538944720 /nfs/dbraw/zinc/94/47/20/538944720.db2.gz SYYSIXWYKLYTLE-UHFFFAOYSA-N 1 0 235.371 3.650 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000167861659 206148521 /nfs/dbraw/zinc/14/85/21/206148521.db2.gz OBCQAGAVJFHWBA-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000167861869 206146581 /nfs/dbraw/zinc/14/65/81/206146581.db2.gz OBCQAGAVJFHWBA-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000167866174 364816963 /nfs/dbraw/zinc/81/69/63/364816963.db2.gz DKZDECZFPBYDHO-MQYQWHSLSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000167867130 364816028 /nfs/dbraw/zinc/81/60/28/364816028.db2.gz ULPKHCMZYCLUSD-KGLIPLIRSA-N 1 0 248.414 3.504 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000167867247 364816144 /nfs/dbraw/zinc/81/61/44/364816144.db2.gz ULPKHCMZYCLUSD-KBPBESRZSA-N 1 0 248.414 3.504 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000167867343 364816158 /nfs/dbraw/zinc/81/61/58/364816158.db2.gz ULPKHCMZYCLUSD-ZIAGYGMSSA-N 1 0 248.414 3.504 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000167867450 364816074 /nfs/dbraw/zinc/81/60/74/364816074.db2.gz ULPKHCMZYCLUSD-UONOGXRCSA-N 1 0 248.414 3.504 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccsc1 ZINC000167887502 206147814 /nfs/dbraw/zinc/14/78/14/206147814.db2.gz QBVQMMINJMNGMX-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccsc1 ZINC000167887622 206146803 /nfs/dbraw/zinc/14/68/03/206146803.db2.gz QBVQMMINJMNGMX-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccsc1 ZINC000167887730 206147902 /nfs/dbraw/zinc/14/79/02/206147902.db2.gz QBVQMMINJMNGMX-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccsc1 ZINC000167887837 206147831 /nfs/dbraw/zinc/14/78/31/206147831.db2.gz QBVQMMINJMNGMX-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)C1CCCCC1 ZINC000167900927 206147336 /nfs/dbraw/zinc/14/73/36/206147336.db2.gz QBJMQEWDMQJAOV-AAEUAGOBSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)C1CCCCC1 ZINC000167901032 206146757 /nfs/dbraw/zinc/14/67/57/206146757.db2.gz QBJMQEWDMQJAOV-WCQYABFASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)C1CCCCC1 ZINC000167901133 206146602 /nfs/dbraw/zinc/14/66/02/206146602.db2.gz QBJMQEWDMQJAOV-YPMHNXCESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)C1CCCCC1 ZINC000167901241 206146979 /nfs/dbraw/zinc/14/69/79/206146979.db2.gz QBJMQEWDMQJAOV-DGCLKSJQSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)C(C)C)cc1 ZINC000167934099 206148654 /nfs/dbraw/zinc/14/86/54/206148654.db2.gz DSIIWBJNAAAHAT-KBPBESRZSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)C(C)C)cc1 ZINC000167934213 206147093 /nfs/dbraw/zinc/14/70/93/206147093.db2.gz DSIIWBJNAAAHAT-KGLIPLIRSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)C(C)C)cc1 ZINC000167934314 206022461 /nfs/dbraw/zinc/02/24/61/206022461.db2.gz DSIIWBJNAAAHAT-UONOGXRCSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H](C)C(C)C)cc1 ZINC000167934421 385342172 /nfs/dbraw/zinc/34/21/72/385342172.db2.gz DSIIWBJNAAAHAT-ZIAGYGMSSA-N 1 0 219.372 3.733 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000167934543 538944384 /nfs/dbraw/zinc/94/43/84/538944384.db2.gz QBUKRKVDCUGOIJ-ZIAGYGMSSA-N 1 0 219.372 3.877 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000167934653 538944697 /nfs/dbraw/zinc/94/46/97/538944697.db2.gz QBUKRKVDCUGOIJ-KGLIPLIRSA-N 1 0 219.372 3.877 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000167934739 538944356 /nfs/dbraw/zinc/94/43/56/538944356.db2.gz QBUKRKVDCUGOIJ-UONOGXRCSA-N 1 0 219.372 3.877 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000167934843 538944239 /nfs/dbraw/zinc/94/42/39/538944239.db2.gz QBUKRKVDCUGOIJ-KBPBESRZSA-N 1 0 219.372 3.877 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000167935005 538944271 /nfs/dbraw/zinc/94/42/71/538944271.db2.gz SLPQVHPZVDKPQR-CYBMUJFWSA-N 1 0 219.372 3.877 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000167935074 538944536 /nfs/dbraw/zinc/94/45/36/538944536.db2.gz SLPQVHPZVDKPQR-ZDUSSCGKSA-N 1 0 219.372 3.877 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000168066658 206147594 /nfs/dbraw/zinc/14/75/94/206147594.db2.gz KEIMBGBSQUZBOY-LLVKDONJSA-N 1 0 237.774 3.760 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000168066763 206147659 /nfs/dbraw/zinc/14/76/59/206147659.db2.gz KEIMBGBSQUZBOY-NSHDSACASA-N 1 0 237.774 3.760 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000168070093 640776158 /nfs/dbraw/zinc/77/61/58/640776158.db2.gz OFAOXUPXKDSYHD-QWRGUYRKSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000168070196 633137637 /nfs/dbraw/zinc/13/76/37/633137637.db2.gz OFAOXUPXKDSYHD-MNOVXSKESA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000168070286 633137685 /nfs/dbraw/zinc/13/76/85/633137685.db2.gz OFAOXUPXKDSYHD-WDEREUQCSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000168070377 640776622 /nfs/dbraw/zinc/77/66/22/640776622.db2.gz OFAOXUPXKDSYHD-GHMZBOCLSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000168070734 640776532 /nfs/dbraw/zinc/77/65/32/640776532.db2.gz QBLNPODYQKYSHY-RYUDHWBXSA-N 1 0 231.449 3.788 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000168070835 640776769 /nfs/dbraw/zinc/77/67/69/640776769.db2.gz QBLNPODYQKYSHY-NEPJUHHUSA-N 1 0 231.449 3.788 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000168070942 636284822 /nfs/dbraw/zinc/28/48/22/636284822.db2.gz QBLNPODYQKYSHY-NWDGAFQWSA-N 1 0 231.449 3.788 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000168071051 640776536 /nfs/dbraw/zinc/77/65/36/640776536.db2.gz QBLNPODYQKYSHY-VXGBXAGGSA-N 1 0 231.449 3.788 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)o1 ZINC000168075763 206146674 /nfs/dbraw/zinc/14/66/74/206146674.db2.gz GLQMMUSKRYUUHX-VXGBXAGGSA-N 1 0 223.360 3.785 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)o1 ZINC000168075877 206147896 /nfs/dbraw/zinc/14/78/96/206147896.db2.gz GLQMMUSKRYUUHX-NEPJUHHUSA-N 1 0 223.360 3.785 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)o1 ZINC000168075981 206148669 /nfs/dbraw/zinc/14/86/69/206148669.db2.gz GLQMMUSKRYUUHX-NWDGAFQWSA-N 1 0 223.360 3.785 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)o1 ZINC000168076076 206148525 /nfs/dbraw/zinc/14/85/25/206148525.db2.gz GLQMMUSKRYUUHX-RYUDHWBXSA-N 1 0 223.360 3.785 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000168132244 711831676 /nfs/dbraw/zinc/83/16/76/711831676.db2.gz WKRSZDMMQRNNDJ-CQSZACIVSA-N 1 0 219.372 3.624 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000168132345 711831512 /nfs/dbraw/zinc/83/15/12/711831512.db2.gz WKRSZDMMQRNNDJ-AWEZNQCLSA-N 1 0 219.372 3.624 20 0 BHADRO CCC(CC)[NH2+]CCc1cc(C)cc(C)c1 ZINC000168132472 711831527 /nfs/dbraw/zinc/83/15/27/711831527.db2.gz LDXBBLLBVAEOCV-UHFFFAOYSA-N 1 0 219.372 3.624 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)C(C)C)c1 ZINC000168179139 385299727 /nfs/dbraw/zinc/29/97/27/385299727.db2.gz PYGCRICZFGQSBT-KBPBESRZSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)C(C)C)c1 ZINC000168179223 385299983 /nfs/dbraw/zinc/29/99/83/385299983.db2.gz PYGCRICZFGQSBT-KGLIPLIRSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)C(C)C)c1 ZINC000168179304 518190524 /nfs/dbraw/zinc/19/05/24/518190524.db2.gz PYGCRICZFGQSBT-UONOGXRCSA-N 1 0 219.372 3.733 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H](C)C(C)C)c1 ZINC000168179379 385299315 /nfs/dbraw/zinc/29/93/15/385299315.db2.gz PYGCRICZFGQSBT-ZIAGYGMSSA-N 1 0 219.372 3.733 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168250460 385327721 /nfs/dbraw/zinc/32/77/21/385327721.db2.gz BLRCNEKKNOEXQH-UHFFFAOYSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168250795 537842848 /nfs/dbraw/zinc/84/28/48/537842848.db2.gz UBPUBYLFMBPCJY-SECBINFHSA-N 1 0 229.726 3.757 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168250892 538944911 /nfs/dbraw/zinc/94/49/11/538944911.db2.gz UBPUBYLFMBPCJY-VIFPVBQESA-N 1 0 229.726 3.757 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]CC2CCCC2)c1 ZINC000168252327 385328021 /nfs/dbraw/zinc/32/80/21/385328021.db2.gz IILZDBCHFFYUFP-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168255130 398340712 /nfs/dbraw/zinc/34/07/12/398340712.db2.gz USUAGKLLHVOGJS-UHFFFAOYSA-N 1 0 229.726 3.615 20 0 BHADRO CC1([NH2+]Cc2cc(F)cc(Cl)c2)CCCC1 ZINC000168255568 205502356 /nfs/dbraw/zinc/50/23/56/205502356.db2.gz RWLQDPOIJJTOLL-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259718 205502490 /nfs/dbraw/zinc/50/24/90/205502490.db2.gz ILRCFZFFVFJEOA-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259782 398340773 /nfs/dbraw/zinc/34/07/73/398340773.db2.gz ILRCFZFFVFJEOA-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259843 398340816 /nfs/dbraw/zinc/34/08/16/398340816.db2.gz ILRCFZFFVFJEOA-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259930 398340926 /nfs/dbraw/zinc/34/09/26/398340926.db2.gz ILRCFZFFVFJEOA-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168260966 398340918 /nfs/dbraw/zinc/34/09/18/398340918.db2.gz SWVVREJNEXTBMR-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168261063 398340931 /nfs/dbraw/zinc/34/09/31/398340931.db2.gz SWVVREJNEXTBMR-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000168263578 385328897 /nfs/dbraw/zinc/32/88/97/385328897.db2.gz AZVRDIPIYDAKGJ-ZDUSSCGKSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000168263677 205502476 /nfs/dbraw/zinc/50/24/76/205502476.db2.gz AZVRDIPIYDAKGJ-CYBMUJFWSA-N 1 0 239.721 3.677 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000168271520 537843250 /nfs/dbraw/zinc/84/32/50/537843250.db2.gz AFQFYRWUPYQQQI-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO C[C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000168271603 537843275 /nfs/dbraw/zinc/84/32/75/537843275.db2.gz AFQFYRWUPYQQQI-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]CCC2CCC2)c1 ZINC000168272624 633141108 /nfs/dbraw/zinc/14/11/08/633141108.db2.gz FPDKKCIQSNZTAT-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+](CC3CC3)CC2)cc1 ZINC000168274052 345723153 /nfs/dbraw/zinc/72/31/53/345723153.db2.gz OTPACPMXLWZIEU-INIZCTEOSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+](CC3CC3)CC2)cc1 ZINC000168274146 345722953 /nfs/dbraw/zinc/72/29/53/345722953.db2.gz OTPACPMXLWZIEU-MRXNPFEDSA-N 1 0 229.367 3.666 20 0 BHADRO CC1([NH2+]Cc2cc(F)cc(Cl)c2)CCC1 ZINC000168274393 364894732 /nfs/dbraw/zinc/89/47/32/364894732.db2.gz LBPLKZJGYCKLSQ-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2cc(F)cc(Cl)c2)CCC1 ZINC000168275234 385335916 /nfs/dbraw/zinc/33/59/16/385335916.db2.gz ZUGJFRWNMCHTRZ-UHFFFAOYSA-N 1 0 241.737 3.901 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CCC1 ZINC000168277786 537843742 /nfs/dbraw/zinc/84/37/42/537843742.db2.gz JJUGCMNQGDEYKT-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CCC1 ZINC000168277877 537842543 /nfs/dbraw/zinc/84/25/43/537842543.db2.gz JJUGCMNQGDEYKT-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]CCCC2CC2)c1 ZINC000168279168 364896928 /nfs/dbraw/zinc/89/69/28/364896928.db2.gz VDJASHWNFNDTAX-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)Cc1cccs1 ZINC000168297768 385342496 /nfs/dbraw/zinc/34/24/96/385342496.db2.gz HSQAASNVSHNFRV-RWMBFGLXSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)Cc1cccs1 ZINC000168297928 385342766 /nfs/dbraw/zinc/34/27/66/385342766.db2.gz HSQAASNVSHNFRV-AVGNSLFASA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Cc1cccs1)C(C)C ZINC000168299268 529610130 /nfs/dbraw/zinc/61/01/30/529610130.db2.gz YTSNMHCVTYUAIP-JSGCOSHPSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C(C)C ZINC000168299337 385341861 /nfs/dbraw/zinc/34/18/61/385341861.db2.gz YTSNMHCVTYUAIP-GXTWGEPZSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Cc1cccs1)C(C)C ZINC000168299406 529617966 /nfs/dbraw/zinc/61/79/66/529617966.db2.gz YTSNMHCVTYUAIP-OCCSQVGLSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Cc1cccs1)C(C)C ZINC000168299514 529178246 /nfs/dbraw/zinc/17/82/46/529178246.db2.gz YTSNMHCVTYUAIP-TZMCWYRMSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)Cc1cccs1 ZINC000168300091 323078532 /nfs/dbraw/zinc/07/85/32/323078532.db2.gz ZZYGKKZGPCYGKX-RYUDHWBXSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)Cc1cccs1 ZINC000168300191 385345154 /nfs/dbraw/zinc/34/51/54/385345154.db2.gz ZZYGKKZGPCYGKX-NEPJUHHUSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C(C)(C)C ZINC000168300283 385343841 /nfs/dbraw/zinc/34/38/41/385343841.db2.gz ZZYGKKZGPCYGKX-NWDGAFQWSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)Cc1cccs1 ZINC000168300387 385343927 /nfs/dbraw/zinc/34/39/27/385343927.db2.gz ZZYGKKZGPCYGKX-VXGBXAGGSA-N 1 0 239.428 3.951 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000168323539 385353441 /nfs/dbraw/zinc/35/34/41/385353441.db2.gz ABIVOFIIQSISPN-QWHCGFSZSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000168323626 385354003 /nfs/dbraw/zinc/35/40/03/385354003.db2.gz ABIVOFIIQSISPN-STQMWFEESA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000168323720 528782522 /nfs/dbraw/zinc/78/25/22/528782522.db2.gz ABIVOFIIQSISPN-CHWSQXEVSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000168323819 385353923 /nfs/dbraw/zinc/35/39/23/385353923.db2.gz ABIVOFIIQSISPN-OLZOCXBDSA-N 1 0 229.408 3.748 20 0 BHADRO CC1(C)CC([NH2+]CCCF)CC(C)(C)C1 ZINC000168343726 364913113 /nfs/dbraw/zinc/91/31/13/364913113.db2.gz WQWXBLKWXQMYEY-UHFFFAOYSA-N 1 0 215.356 3.541 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000168360018 364911696 /nfs/dbraw/zinc/91/16/96/364911696.db2.gz LKKPERZHHNGWMX-RDBSUJKOSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000168360102 364912469 /nfs/dbraw/zinc/91/24/69/364912469.db2.gz LKKPERZHHNGWMX-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000168374092 385366793 /nfs/dbraw/zinc/36/67/93/385366793.db2.gz ZAQAGIXNNZMBCQ-KGLIPLIRSA-N 1 0 246.398 3.736 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000168374184 171345860 /nfs/dbraw/zinc/34/58/60/171345860.db2.gz ZAQAGIXNNZMBCQ-KBPBESRZSA-N 1 0 246.398 3.736 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000168374294 170758111 /nfs/dbraw/zinc/75/81/11/170758111.db2.gz ZAQAGIXNNZMBCQ-ZIAGYGMSSA-N 1 0 246.398 3.736 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000168374384 171347828 /nfs/dbraw/zinc/34/78/28/171347828.db2.gz ZAQAGIXNNZMBCQ-UONOGXRCSA-N 1 0 246.398 3.736 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000168382498 640803788 /nfs/dbraw/zinc/80/37/88/640803788.db2.gz HWQYTIMXSFCMKG-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000168382686 640803368 /nfs/dbraw/zinc/80/33/68/640803368.db2.gz HWQYTIMXSFCMKG-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CC[C@H](SC)C2)CC1 ZINC000168384041 633143972 /nfs/dbraw/zinc/14/39/72/633143972.db2.gz AQSAYHPIPRKRSF-PQAZSJQKSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1CCC([NH2+][C@H]2CC[C@H](SC)C2)CC1 ZINC000168384142 633143279 /nfs/dbraw/zinc/14/32/79/633143279.db2.gz AQSAYHPIPRKRSF-HOAMVYINSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CC[C@@H](SC)C2)CC1 ZINC000168384250 633143191 /nfs/dbraw/zinc/14/31/91/633143191.db2.gz AQSAYHPIPRKRSF-NWINJMCUSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1CCC([NH2+][C@H]2CC[C@@H](SC)C2)CC1 ZINC000168384352 633143510 /nfs/dbraw/zinc/14/35/10/633143510.db2.gz AQSAYHPIPRKRSF-CLRIEMFWSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000168387534 633143892 /nfs/dbraw/zinc/14/38/92/633143892.db2.gz PJAUKUGADIQRAO-UONOGXRCSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000168387642 633142393 /nfs/dbraw/zinc/14/23/93/633142393.db2.gz PJAUKUGADIQRAO-KBPBESRZSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000168387742 633142538 /nfs/dbraw/zinc/14/25/38/633142538.db2.gz PJAUKUGADIQRAO-ZIAGYGMSSA-N 1 0 241.444 3.973 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000168387839 633143259 /nfs/dbraw/zinc/14/32/59/633143259.db2.gz PJAUKUGADIQRAO-KGLIPLIRSA-N 1 0 241.444 3.973 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](SC)C2)C1 ZINC000168389603 640803498 /nfs/dbraw/zinc/80/34/98/640803498.db2.gz YIGFOSDUEMNOMG-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000168392378 640804162 /nfs/dbraw/zinc/80/41/62/640804162.db2.gz FZWSWQMZZNCSST-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000168392564 640803990 /nfs/dbraw/zinc/80/39/90/640803990.db2.gz FZWSWQMZZNCSST-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000168392730 640803357 /nfs/dbraw/zinc/80/33/57/640803357.db2.gz XNWHZVDLFHCYNC-OLZOCXBDSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000168392835 640803403 /nfs/dbraw/zinc/80/34/03/640803403.db2.gz XNWHZVDLFHCYNC-STQMWFEESA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000168392929 640804307 /nfs/dbraw/zinc/80/43/07/640804307.db2.gz XNWHZVDLFHCYNC-CHWSQXEVSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000168393043 633141856 /nfs/dbraw/zinc/14/18/56/633141856.db2.gz XNWHZVDLFHCYNC-QWHCGFSZSA-N 1 0 241.444 3.829 20 0 BHADRO CC1CC([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000168401206 384211031 /nfs/dbraw/zinc/21/10/31/384211031.db2.gz FEDRCPDABAGNOM-UHFFFAOYSA-N 1 0 249.785 3.974 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000168405961 205503631 /nfs/dbraw/zinc/50/36/31/205503631.db2.gz MXQRLPNOXBWMIQ-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000168406055 385369631 /nfs/dbraw/zinc/36/96/31/385369631.db2.gz MXQRLPNOXBWMIQ-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000168406156 205503190 /nfs/dbraw/zinc/50/31/90/205503190.db2.gz MXQRLPNOXBWMIQ-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000168406256 205503376 /nfs/dbraw/zinc/50/33/76/205503376.db2.gz MXQRLPNOXBWMIQ-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ncc(CC)s1 ZINC000168409804 384214850 /nfs/dbraw/zinc/21/48/50/384214850.db2.gz ZFUXCHGIQVFEQV-LLVKDONJSA-N 1 0 240.416 3.764 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ncc(CC)s1 ZINC000168409905 384213989 /nfs/dbraw/zinc/21/39/89/384213989.db2.gz ZFUXCHGIQVFEQV-NSHDSACASA-N 1 0 240.416 3.764 20 0 BHADRO c1coc(C[NH2+]CCC2CCCCCC2)c1 ZINC000168416263 205503536 /nfs/dbraw/zinc/50/35/36/205503536.db2.gz DVUUPGBRYYERGD-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(CC)(CC)SC ZINC000168421510 711633889 /nfs/dbraw/zinc/63/38/89/711633889.db2.gz MKUXTPQDALJDRO-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(CC)(CC)SC ZINC000168421804 711633925 /nfs/dbraw/zinc/63/39/25/711633925.db2.gz MKUXTPQDALJDRO-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)CC(C)C)SC ZINC000168423871 711633276 /nfs/dbraw/zinc/63/32/76/711633276.db2.gz ROEBVSUJGJNTBZ-LBPRGKRZSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)SC)C(C)C ZINC000168424415 711831940 /nfs/dbraw/zinc/83/19/40/711831940.db2.gz ZYPLXVDUTZSAIK-GFCCVEGCSA-N 1 0 231.449 3.932 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)c1ccco1)SC ZINC000168424522 633142966 /nfs/dbraw/zinc/14/29/66/633142966.db2.gz JDEGKEUHLHPKAX-NSHDSACASA-N 1 0 241.400 3.852 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)c1ccco1)SC ZINC000168424604 633142551 /nfs/dbraw/zinc/14/25/51/633142551.db2.gz JDEGKEUHLHPKAX-LLVKDONJSA-N 1 0 241.400 3.852 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)C(C)(C)C)SC ZINC000168425732 711831938 /nfs/dbraw/zinc/83/19/38/711831938.db2.gz YWAQOFKGBKJUQG-NSHDSACASA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H]([NH2+]CC(CC)(CC)SC)C1CC1 ZINC000168426568 711831935 /nfs/dbraw/zinc/83/19/35/711831935.db2.gz QGWOATWABKADLV-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)SC)C1CC1 ZINC000168426663 632465619 /nfs/dbraw/zinc/46/56/19/632465619.db2.gz QGWOATWABKADLV-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C(C)C)C1CC1)SC ZINC000168426760 633142802 /nfs/dbraw/zinc/14/28/02/633142802.db2.gz JXCWPNJMOFFAIQ-CYBMUJFWSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C(C)C)C1CC1)SC ZINC000168426860 711831930 /nfs/dbraw/zinc/83/19/30/711831930.db2.gz JXCWPNJMOFFAIQ-ZDUSSCGKSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)c1ccoc1)SC ZINC000168427167 633143412 /nfs/dbraw/zinc/14/34/12/633143412.db2.gz QVYXXPPQPVZTEQ-NSHDSACASA-N 1 0 241.400 3.852 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)c1ccoc1)SC ZINC000168427262 633142352 /nfs/dbraw/zinc/14/23/52/633142352.db2.gz QVYXXPPQPVZTEQ-LLVKDONJSA-N 1 0 241.400 3.852 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000168427977 538944992 /nfs/dbraw/zinc/94/49/92/538944992.db2.gz CQOMGVXODKLYKO-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000168428078 538944931 /nfs/dbraw/zinc/94/49/31/538944931.db2.gz CQOMGVXODKLYKO-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168431817 384219033 /nfs/dbraw/zinc/21/90/33/384219033.db2.gz OGEXRKHAXAKMFM-XPKDYRNWSA-N 1 0 241.334 3.615 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168432017 384219637 /nfs/dbraw/zinc/21/96/37/384219637.db2.gz OGEXRKHAXAKMFM-INWMFGNUSA-N 1 0 241.334 3.615 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000168440738 384222275 /nfs/dbraw/zinc/22/22/75/384222275.db2.gz LMVIDZKBDPRVBN-SMDDNHRTSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000168440816 384222421 /nfs/dbraw/zinc/22/24/21/384222421.db2.gz LMVIDZKBDPRVBN-BXUZGUMPSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000168440894 384223505 /nfs/dbraw/zinc/22/35/05/384223505.db2.gz LMVIDZKBDPRVBN-FZMZJTMJSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000168440975 205503281 /nfs/dbraw/zinc/50/32/81/205503281.db2.gz LMVIDZKBDPRVBN-RISCZKNCSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)OCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000168876069 384343260 /nfs/dbraw/zinc/34/32/60/384343260.db2.gz HSNIMJCQJOGNJO-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1 ZINC000168876519 384345810 /nfs/dbraw/zinc/34/58/10/384345810.db2.gz SJCQXYYZKGZNJH-CQSZACIVSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CCOC(C)C)cc1 ZINC000168876611 384345440 /nfs/dbraw/zinc/34/54/40/384345440.db2.gz SJCQXYYZKGZNJH-AWEZNQCLSA-N 1 0 249.398 3.715 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000168878720 205506888 /nfs/dbraw/zinc/50/68/88/205506888.db2.gz URJKDFJIVOAKLZ-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000168878801 384340684 /nfs/dbraw/zinc/34/06/84/384340684.db2.gz URJKDFJIVOAKLZ-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000168878885 384339593 /nfs/dbraw/zinc/33/95/93/384339593.db2.gz URJKDFJIVOAKLZ-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000168878968 384341236 /nfs/dbraw/zinc/34/12/36/384341236.db2.gz URJKDFJIVOAKLZ-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO CCCC[C@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000168879842 134247401 /nfs/dbraw/zinc/24/74/01/134247401.db2.gz OTAUTCAGYUOOPO-INIZCTEOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000168879927 134247354 /nfs/dbraw/zinc/24/73/54/134247354.db2.gz OTAUTCAGYUOOPO-MRXNPFEDSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+]CCOC(C)C)cc1C ZINC000168883996 384349778 /nfs/dbraw/zinc/34/97/78/384349778.db2.gz ZYSODQBLXITEDE-OAHLLOKOSA-N 1 0 249.398 3.687 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+]CCOC(C)C)cc1C ZINC000168884087 384348233 /nfs/dbraw/zinc/34/82/33/384348233.db2.gz ZYSODQBLXITEDE-HNNXBMFYSA-N 1 0 249.398 3.687 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CCOC(C)C)cc1 ZINC000168885329 134247510 /nfs/dbraw/zinc/24/75/10/134247510.db2.gz USLRSOGDFVEMOP-MRXNPFEDSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CCOC(C)C)cc1 ZINC000168885426 134247439 /nfs/dbraw/zinc/24/74/39/134247439.db2.gz USLRSOGDFVEMOP-INIZCTEOSA-N 1 0 249.398 3.715 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000168894072 384349967 /nfs/dbraw/zinc/34/99/67/384349967.db2.gz ZWZNLCJGDRZSNU-UHFFFAOYSA-N 1 0 235.371 3.677 20 0 BHADRO CCC[NH+](CCC)[C@@H]1CCc2ccccc21 ZINC000168907204 346748244 /nfs/dbraw/zinc/74/82/44/346748244.db2.gz MKFRMGXZQWLHFB-OAHLLOKOSA-N 1 0 217.356 3.796 20 0 BHADRO CCC[NH+](CCC)[C@H]1CCc2ccccc21 ZINC000168907289 346748210 /nfs/dbraw/zinc/74/82/10/346748210.db2.gz MKFRMGXZQWLHFB-HNNXBMFYSA-N 1 0 217.356 3.796 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(OC)c1F ZINC000168980381 487555118 /nfs/dbraw/zinc/55/51/18/487555118.db2.gz XDLTZGJKNAYUTO-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CC[NH+]1CCC(c2ccccc2Cl)CC1 ZINC000169039270 358014124 /nfs/dbraw/zinc/01/41/24/358014124.db2.gz NMDVNDVPNFBABP-UHFFFAOYSA-N 1 0 223.747 3.539 20 0 BHADRO CS[C@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000169067027 323026000 /nfs/dbraw/zinc/02/60/00/323026000.db2.gz PIRJQHPRXKDUCU-QWHCGFSZSA-N 1 0 237.412 3.521 20 0 BHADRO CS[C@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000169067100 323025998 /nfs/dbraw/zinc/02/59/98/323025998.db2.gz PIRJQHPRXKDUCU-CHWSQXEVSA-N 1 0 237.412 3.521 20 0 BHADRO CS[C@@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000169067183 323026057 /nfs/dbraw/zinc/02/60/57/323026057.db2.gz PIRJQHPRXKDUCU-STQMWFEESA-N 1 0 237.412 3.521 20 0 BHADRO CS[C@@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000169067262 323026078 /nfs/dbraw/zinc/02/60/78/323026078.db2.gz PIRJQHPRXKDUCU-OLZOCXBDSA-N 1 0 237.412 3.521 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCCCC1 ZINC000169152254 345724149 /nfs/dbraw/zinc/72/41/49/345724149.db2.gz QECRCCXOLSHZLX-HNNXBMFYSA-N 1 0 215.340 3.550 20 0 BHADRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCCF ZINC000169178889 134249392 /nfs/dbraw/zinc/24/93/92/134249392.db2.gz JEPWVQUXWKRIBA-NSHDSACASA-N 1 0 235.302 3.785 20 0 BHADRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCCF ZINC000169178970 134249660 /nfs/dbraw/zinc/24/96/60/134249660.db2.gz JEPWVQUXWKRIBA-LLVKDONJSA-N 1 0 235.302 3.785 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000169206097 134249835 /nfs/dbraw/zinc/24/98/35/134249835.db2.gz WGLSUBZJLTXGPX-CYBMUJFWSA-N 1 0 221.344 3.683 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000169206174 134250220 /nfs/dbraw/zinc/25/02/20/134250220.db2.gz WGLSUBZJLTXGPX-ZDUSSCGKSA-N 1 0 221.344 3.683 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000169209018 134250227 /nfs/dbraw/zinc/25/02/27/134250227.db2.gz HUHNWNYUWZOSFB-DGCLKSJQSA-N 1 0 221.344 3.825 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000169209087 134249989 /nfs/dbraw/zinc/24/99/89/134249989.db2.gz HUHNWNYUWZOSFB-WCQYABFASA-N 1 0 221.344 3.825 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000169209161 134249969 /nfs/dbraw/zinc/24/99/69/134249969.db2.gz HUHNWNYUWZOSFB-YPMHNXCESA-N 1 0 221.344 3.825 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000169209242 134250027 /nfs/dbraw/zinc/25/00/27/134250027.db2.gz HUHNWNYUWZOSFB-AAEUAGOBSA-N 1 0 221.344 3.825 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000169213636 134249964 /nfs/dbraw/zinc/24/99/64/134249964.db2.gz IBEOTEGJVGPWCL-WCQYABFASA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000169213711 134250055 /nfs/dbraw/zinc/25/00/55/134250055.db2.gz IBEOTEGJVGPWCL-DGCLKSJQSA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000169213780 134250078 /nfs/dbraw/zinc/25/00/78/134250078.db2.gz IBEOTEGJVGPWCL-AAEUAGOBSA-N 1 0 221.344 3.539 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000169213857 134249949 /nfs/dbraw/zinc/24/99/49/134249949.db2.gz IBEOTEGJVGPWCL-YPMHNXCESA-N 1 0 221.344 3.539 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000170790895 346450658 /nfs/dbraw/zinc/45/06/58/346450658.db2.gz UQMBNIUHVXBHDN-SNVBAGLBSA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000170790898 346450435 /nfs/dbraw/zinc/45/04/35/346450435.db2.gz UQMBNIUHVXBHDN-JTQLQIEISA-N 1 0 240.416 3.671 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)C(C)(C)c1ccccc1 ZINC000170823676 346456898 /nfs/dbraw/zinc/45/68/98/346456898.db2.gz YEROIUIWNWCZAO-ZDUSSCGKSA-N 1 0 243.350 3.736 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)C(C)(C)c1ccccc1 ZINC000170823679 346456847 /nfs/dbraw/zinc/45/68/47/346456847.db2.gz YEROIUIWNWCZAO-CYBMUJFWSA-N 1 0 243.350 3.736 20 0 BHADRO CCCC[N@H+](CCCCO)[C@@H](C)c1ccccc1 ZINC000170871734 385453377 /nfs/dbraw/zinc/45/33/77/385453377.db2.gz AYUUJYIFUWYIFL-HNNXBMFYSA-N 1 0 249.398 3.622 20 0 BHADRO CCCC[N@H+](CCCCO)[C@H](C)c1ccccc1 ZINC000170871736 385452910 /nfs/dbraw/zinc/45/29/10/385452910.db2.gz AYUUJYIFUWYIFL-OAHLLOKOSA-N 1 0 249.398 3.622 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000170872726 346465066 /nfs/dbraw/zinc/46/50/66/346465066.db2.gz ZLHLSTDCZDNKGP-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000170872781 346465169 /nfs/dbraw/zinc/46/51/69/346465169.db2.gz LEPJAOKXVILQEQ-UHFFFAOYSA-N 1 0 246.379 3.671 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)F ZINC000170915618 346479358 /nfs/dbraw/zinc/47/93/58/346479358.db2.gz AJGMQKSHTBZZKG-SNVBAGLBSA-N 1 0 243.297 3.518 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1OC(F)F ZINC000170915620 346479405 /nfs/dbraw/zinc/47/94/05/346479405.db2.gz AJGMQKSHTBZZKG-JTQLQIEISA-N 1 0 243.297 3.518 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(SC)cc1 ZINC000170915993 346479426 /nfs/dbraw/zinc/47/94/26/346479426.db2.gz SECZFSAXWHJTAE-LLVKDONJSA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(SC)cc1 ZINC000170915994 346479437 /nfs/dbraw/zinc/47/94/37/346479437.db2.gz SECZFSAXWHJTAE-NSHDSACASA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000170916064 206005162 /nfs/dbraw/zinc/00/51/62/206005162.db2.gz YAKDGQMPAFHVBX-MRVPVSSYSA-N 1 0 217.765 3.632 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000170916065 384532992 /nfs/dbraw/zinc/53/29/92/384532992.db2.gz YAKDGQMPAFHVBX-QMMMGPOBSA-N 1 0 217.765 3.632 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)sc1C ZINC000170916149 346480502 /nfs/dbraw/zinc/48/05/02/346480502.db2.gz QEPNVXGOLNLGSA-SECBINFHSA-N 1 0 211.374 3.595 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)sc1C ZINC000170916150 346480513 /nfs/dbraw/zinc/48/05/13/346480513.db2.gz QEPNVXGOLNLGSA-VIFPVBQESA-N 1 0 211.374 3.595 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000170916276 346480443 /nfs/dbraw/zinc/48/04/43/346480443.db2.gz LMWDVXKFQLDANE-SNVBAGLBSA-N 1 0 243.297 3.518 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000170916277 346479999 /nfs/dbraw/zinc/47/99/99/346479999.db2.gz LMWDVXKFQLDANE-JTQLQIEISA-N 1 0 243.297 3.518 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cscn1)C1CC1 ZINC000170931067 134255613 /nfs/dbraw/zinc/25/56/13/134255613.db2.gz KXICZQOALNNHSN-GHMZBOCLSA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cscn1)C1CC1 ZINC000170931068 535826213 /nfs/dbraw/zinc/82/62/13/535826213.db2.gz KXICZQOALNNHSN-WDEREUQCSA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cscn1)C1CC1 ZINC000170931069 134255242 /nfs/dbraw/zinc/25/52/42/134255242.db2.gz KXICZQOALNNHSN-MNOVXSKESA-N 1 0 238.400 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cscn1)C1CC1 ZINC000170931071 535933314 /nfs/dbraw/zinc/93/33/14/535933314.db2.gz KXICZQOALNNHSN-QWRGUYRKSA-N 1 0 238.400 3.542 20 0 BHADRO CC[N@H+](Cc1nccn1C(C)C)C1CCCCC1 ZINC000170958151 346489067 /nfs/dbraw/zinc/48/90/67/346489067.db2.gz VXJJBQXYQXTUQX-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000170992736 359525324 /nfs/dbraw/zinc/52/53/24/359525324.db2.gz QVLZGVZABTZQQA-QMMMGPOBSA-N 1 0 245.288 3.801 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000170992737 359525388 /nfs/dbraw/zinc/52/53/88/359525388.db2.gz QVLZGVZABTZQQA-MRVPVSSYSA-N 1 0 245.288 3.801 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)Cc1cccs1 ZINC000171024112 359530686 /nfs/dbraw/zinc/53/06/86/359530686.db2.gz NUMCBKTVEBPORI-LBPRGKRZSA-N 1 0 231.364 3.941 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)Cc1cccs1 ZINC000171024114 359530870 /nfs/dbraw/zinc/53/08/70/359530870.db2.gz NUMCBKTVEBPORI-GFCCVEGCSA-N 1 0 231.364 3.941 20 0 BHADRO CC[N@H+](CCSC)Cc1ccc(Cl)s1 ZINC000171051415 361238589 /nfs/dbraw/zinc/23/85/89/361238589.db2.gz ITKCZTFUGVNORD-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000171053842 372280069 /nfs/dbraw/zinc/28/00/69/372280069.db2.gz WZSJFQQWQYYZFH-UHFFFAOYSA-N 1 0 213.324 3.680 20 0 BHADRO CC[N@H+](Cc1cc(F)cc2cccnc21)C(C)C ZINC000171056645 361290962 /nfs/dbraw/zinc/29/09/62/361290962.db2.gz NQQBPLKLTLQFQF-UHFFFAOYSA-N 1 0 246.329 3.604 20 0 BHADRO CC[N@H+](Cc1nc2ccccc2s1)C(C)C ZINC000171057199 346805876 /nfs/dbraw/zinc/80/58/76/346805876.db2.gz MCPMYNDXFOAIHJ-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO C[N@H+](Cc1cscn1)C1CCCCCCC1 ZINC000171065335 640954059 /nfs/dbraw/zinc/95/40/59/640954059.db2.gz PHTYXTGYFRFXLX-UHFFFAOYSA-N 1 0 238.400 3.688 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)CC(C)(C)C ZINC000171082824 361335452 /nfs/dbraw/zinc/33/54/52/361335452.db2.gz FFLIGAMAVRWMBK-UHFFFAOYSA-N 1 0 248.395 3.774 20 0 BHADRO COc1ccc2cc(C[N@H+](C)C(C)C)ccc2c1 ZINC000171118276 488058787 /nfs/dbraw/zinc/05/87/87/488058787.db2.gz SVYARJFJBXNDRR-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO c1cc(C[NH2+]Cc2cc3ccccc3s2)co1 ZINC000171130635 365171137 /nfs/dbraw/zinc/17/11/37/365171137.db2.gz RGOXWIBMDYUQBS-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000171133695 365171246 /nfs/dbraw/zinc/17/12/46/365171246.db2.gz QCDXRDAAAUWEAE-CYBMUJFWSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000171133699 365171976 /nfs/dbraw/zinc/17/19/76/365171976.db2.gz QCDXRDAAAUWEAE-ZDUSSCGKSA-N 1 0 233.355 3.536 20 0 BHADRO CCCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000171138579 535295097 /nfs/dbraw/zinc/29/50/97/535295097.db2.gz XJQINLZYNWUSOB-ZDUSSCGKSA-N 1 0 246.379 3.622 20 0 BHADRO CCCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000171138586 134257277 /nfs/dbraw/zinc/25/72/77/134257277.db2.gz XJQINLZYNWUSOB-CYBMUJFWSA-N 1 0 246.379 3.622 20 0 BHADRO c1cncc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000171145084 372371147 /nfs/dbraw/zinc/37/11/47/372371147.db2.gz BHTQITHXIVVGHV-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO c1cncc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000171145089 372371886 /nfs/dbraw/zinc/37/18/86/372371886.db2.gz BHTQITHXIVVGHV-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000171145490 179318205 /nfs/dbraw/zinc/31/82/05/179318205.db2.gz CPGVLHYRDJPWLC-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000171145492 179334000 /nfs/dbraw/zinc/33/40/00/179334000.db2.gz CPGVLHYRDJPWLC-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO CC1CCC([N@H+](Cc2cccnc2)C2CC2)CC1 ZINC000171145958 372371788 /nfs/dbraw/zinc/37/17/88/372371788.db2.gz YGEDWJCHIYLQBL-UHFFFAOYSA-N 1 0 244.382 3.625 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000171146419 346809129 /nfs/dbraw/zinc/80/91/29/346809129.db2.gz XKBWMMKENAIVTQ-INIZCTEOSA-N 1 0 240.350 3.665 20 0 BHADRO CC[N@H+](Cc1ccnc(Cl)c1)[C@@H](C)C(C)C ZINC000171147113 640960820 /nfs/dbraw/zinc/96/08/20/640960820.db2.gz OLIKPHQFHUHTST-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1ccnc(Cl)c1)[C@H](C)C(C)C ZINC000171147116 640961107 /nfs/dbraw/zinc/96/11/07/640961107.db2.gz OLIKPHQFHUHTST-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO C[N@H+](Cc1cccnc1)C1CCCCCCC1 ZINC000171147197 640960560 /nfs/dbraw/zinc/96/05/60/640960560.db2.gz OENFMSWOIHCFDA-UHFFFAOYSA-N 1 0 232.371 3.626 20 0 BHADRO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1C=CCCC1 ZINC000171279078 372530462 /nfs/dbraw/zinc/53/04/62/372530462.db2.gz PRVYOIRIWINIIW-LBPRGKRZSA-N 1 0 237.293 3.505 20 0 BHADRO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1C=CCCC1 ZINC000171279084 372530504 /nfs/dbraw/zinc/53/05/04/372530504.db2.gz PRVYOIRIWINIIW-GFCCVEGCSA-N 1 0 237.293 3.505 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)[C@H]1C=CCCC1 ZINC000171279353 372529622 /nfs/dbraw/zinc/52/96/22/372529622.db2.gz SQVDOBGWIXJJFM-RYUDHWBXSA-N 1 0 221.369 3.850 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)[C@H]1C=CCCC1 ZINC000171279359 372530449 /nfs/dbraw/zinc/53/04/49/372530449.db2.gz SQVDOBGWIXJJFM-NEPJUHHUSA-N 1 0 221.369 3.850 20 0 BHADRO Cc1ncccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000171416016 384585204 /nfs/dbraw/zinc/58/52/04/384585204.db2.gz MRRIQFQWIMVBEK-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000171496885 167213290 /nfs/dbraw/zinc/21/32/90/167213290.db2.gz SPTLAHNGCITNBX-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000171496889 167212503 /nfs/dbraw/zinc/21/25/03/167212503.db2.gz SPTLAHNGCITNBX-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000171499314 167209759 /nfs/dbraw/zinc/20/97/59/167209759.db2.gz YLZRVODNGGUNTE-LBPRGKRZSA-N 1 0 241.400 3.556 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000171499317 167212496 /nfs/dbraw/zinc/21/24/96/167212496.db2.gz YLZRVODNGGUNTE-GFCCVEGCSA-N 1 0 241.400 3.556 20 0 BHADRO CC(C)OCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000171501777 384593534 /nfs/dbraw/zinc/59/35/34/384593534.db2.gz RIJARZWSMJZJKH-UHFFFAOYSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000171680534 365225726 /nfs/dbraw/zinc/22/57/26/365225726.db2.gz YBRIBKKMMULAAU-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CCC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000171682399 134260103 /nfs/dbraw/zinc/26/01/03/134260103.db2.gz NXKBKNPJZMBXER-UHFFFAOYSA-N 1 0 246.379 3.671 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc2ccccc2o1 ZINC000171694780 134259995 /nfs/dbraw/zinc/25/99/95/134259995.db2.gz PQIXWBVBXMRQQX-RYUDHWBXSA-N 1 0 244.338 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc2ccccc2o1 ZINC000171694784 134260144 /nfs/dbraw/zinc/26/01/44/134260144.db2.gz PQIXWBVBXMRQQX-VXGBXAGGSA-N 1 0 244.338 3.591 20 0 BHADRO C1=C[C@H]([NH+]2CCC(OC3CCCC3)CC2)CCC1 ZINC000171735716 134260313 /nfs/dbraw/zinc/26/03/13/134260313.db2.gz QCDFKMZGMHBSHQ-AWEZNQCLSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@@H]([NH+]2CCC(OC3CCCC3)CC2)CCC1 ZINC000171735718 134260353 /nfs/dbraw/zinc/26/03/53/134260353.db2.gz QCDFKMZGMHBSHQ-CQSZACIVSA-N 1 0 249.398 3.519 20 0 BHADRO Cc1ncsc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000171750671 365232543 /nfs/dbraw/zinc/23/25/43/365232543.db2.gz LAPFAKWUAXDCNM-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ncsc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000171750677 365233516 /nfs/dbraw/zinc/23/35/16/365233516.db2.gz LAPFAKWUAXDCNM-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)C)c1ccccn1 ZINC000171764247 384663139 /nfs/dbraw/zinc/66/31/39/384663139.db2.gz KOPCPJZXJAKTNO-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)C)c1ccccn1 ZINC000171764251 384662732 /nfs/dbraw/zinc/66/27/32/384662732.db2.gz KOPCPJZXJAKTNO-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1CCSCC1 ZINC000171767921 385516019 /nfs/dbraw/zinc/51/60/19/385516019.db2.gz IUQPYBNNBLTEJN-ACCUITESSA-N 1 0 247.407 3.575 20 0 BHADRO CC(C)COC1CC[NH+](CCC(C)(C)C)CC1 ZINC000171825487 372786299 /nfs/dbraw/zinc/78/62/99/372786299.db2.gz VONABVVLSMVTEG-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]Cc1ccco1)C1CC1 ZINC000171843947 179344985 /nfs/dbraw/zinc/34/49/85/179344985.db2.gz NNYRXTKUXOBKCX-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccco1)C1CC1 ZINC000171843952 179326548 /nfs/dbraw/zinc/32/65/48/179326548.db2.gz NNYRXTKUXOBKCX-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000171843982 641015595 /nfs/dbraw/zinc/01/55/95/641015595.db2.gz CPSHJJIOYAMHMD-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000171843984 641014856 /nfs/dbraw/zinc/01/48/56/641014856.db2.gz CPSHJJIOYAMHMD-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000171912074 385531267 /nfs/dbraw/zinc/53/12/67/385531267.db2.gz VYQSWUDFHFAQEO-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000171912075 385530853 /nfs/dbraw/zinc/53/08/53/385530853.db2.gz VYQSWUDFHFAQEO-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC000171949027 365261569 /nfs/dbraw/zinc/26/15/69/365261569.db2.gz NQWZGMBDCZEVRU-LLVKDONJSA-N 1 0 240.416 3.744 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC000171949029 365261782 /nfs/dbraw/zinc/26/17/82/365261782.db2.gz NQWZGMBDCZEVRU-NSHDSACASA-N 1 0 240.416 3.744 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1nc2ccccc2s1 ZINC000171952529 365261510 /nfs/dbraw/zinc/26/15/10/365261510.db2.gz JAWWNKNCSPULBC-LLVKDONJSA-N 1 0 248.395 3.774 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1nc2ccccc2s1 ZINC000171952532 365260702 /nfs/dbraw/zinc/26/07/02/365260702.db2.gz JAWWNKNCSPULBC-NSHDSACASA-N 1 0 248.395 3.774 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CCC1 ZINC000171971622 365264410 /nfs/dbraw/zinc/26/44/10/365264410.db2.gz ROVFBTIMVBEGDF-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CC1CCC1 ZINC000171971625 365264654 /nfs/dbraw/zinc/26/46/54/365264654.db2.gz ROVFBTIMVBEGDF-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO C[N@@H+](Cc1nc2ccccc2s1)CC1CCC1 ZINC000171972080 385536855 /nfs/dbraw/zinc/53/68/55/385536855.db2.gz ZNYOMMQBUKJXHW-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1cccnc1 ZINC000171975514 134263794 /nfs/dbraw/zinc/26/37/94/134263794.db2.gz WEWGMCUJHGXCFL-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1cccnc1 ZINC000171975516 134264019 /nfs/dbraw/zinc/26/40/19/134264019.db2.gz WEWGMCUJHGXCFL-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CCCCC3)C2)on1 ZINC000171978865 134264093 /nfs/dbraw/zinc/26/40/93/134264093.db2.gz MSPPJXFHATWYBO-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CC[N@@H+](Cc1nc2ccccc2s1)CC1CC1 ZINC000171995625 346846456 /nfs/dbraw/zinc/84/64/56/346846456.db2.gz UFXSSXJBPXWOOW-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO C[C@@H](C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000172011101 384942225 /nfs/dbraw/zinc/94/22/25/384942225.db2.gz VOTSANVRXBSJIC-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000172011103 384940896 /nfs/dbraw/zinc/94/08/96/384940896.db2.gz VOTSANVRXBSJIC-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CC(C)n1ccc(C[N@H+](C)C2CCCCCC2)n1 ZINC000172011169 365268889 /nfs/dbraw/zinc/26/88/89/365268889.db2.gz CVPALXLFHIXGIW-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000172011594 372855470 /nfs/dbraw/zinc/85/54/70/372855470.db2.gz RHLUDAAQPQLOPZ-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)[N@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000172011596 372857933 /nfs/dbraw/zinc/85/79/33/372857933.db2.gz RHLUDAAQPQLOPZ-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO CC[N@H+](Cc1ccn(C(C)C)n1)C1CCCCC1 ZINC000172011705 365269101 /nfs/dbraw/zinc/26/91/01/365269101.db2.gz ZJTGASWLMDIUSS-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)n1ccc(C[N@H+](C(C)C)C2CCCC2)n1 ZINC000172013575 384940069 /nfs/dbraw/zinc/94/00/69/384940069.db2.gz KLIBNWUMMMZWQJ-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000172013609 398238518 /nfs/dbraw/zinc/23/85/18/398238518.db2.gz KAFBZTPFXDJITK-CHWSQXEVSA-N 1 0 205.345 3.520 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000172013613 398238447 /nfs/dbraw/zinc/23/84/47/398238447.db2.gz KAFBZTPFXDJITK-OLZOCXBDSA-N 1 0 205.345 3.520 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccco1 ZINC000172038525 365280168 /nfs/dbraw/zinc/28/01/68/365280168.db2.gz BHGPICJTONXTTB-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccco1 ZINC000172038530 365280320 /nfs/dbraw/zinc/28/03/20/365280320.db2.gz BHGPICJTONXTTB-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccoc1 ZINC000172038536 365280435 /nfs/dbraw/zinc/28/04/35/365280435.db2.gz PFRVYWRLCWPIIW-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccoc1 ZINC000172038543 365279368 /nfs/dbraw/zinc/27/93/68/365279368.db2.gz PFRVYWRLCWPIIW-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccoc2)c1C ZINC000172038972 179181893 /nfs/dbraw/zinc/18/18/93/179181893.db2.gz KQAYGCJXERJOEU-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccoc2)c1C ZINC000172038978 179197090 /nfs/dbraw/zinc/19/70/90/179197090.db2.gz KQAYGCJXERJOEU-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CC(C)n1cc(C[NH2+]C2(C)CCC(C)CC2)cn1 ZINC000172065469 345369410 /nfs/dbraw/zinc/36/94/10/345369410.db2.gz UXEPMXVPIUMIHG-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[NH+](CCCC)CCc1cccnc1 ZINC000172153906 365297188 /nfs/dbraw/zinc/29/71/88/365297188.db2.gz IEGSQUPSCALYQQ-UHFFFAOYSA-N 1 0 234.387 3.526 20 0 BHADRO CCCCC[N@H+](CCc1cccnc1)C(C)C ZINC000172154364 365296226 /nfs/dbraw/zinc/29/62/26/365296226.db2.gz WXSYOFAQYPHYHW-UHFFFAOYSA-N 1 0 234.387 3.525 20 0 BHADRO C[N@H+](CCc1cccnc1)C1CCCCCCC1 ZINC000172158478 641041290 /nfs/dbraw/zinc/04/12/90/641041290.db2.gz BEOXIDAQBCIUJY-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO C[N@@H+](CCc1cccnc1)CCC1CCCCC1 ZINC000172159614 365296655 /nfs/dbraw/zinc/29/66/55/365296655.db2.gz WWDHNSDRXGOQLO-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCc1cccnc1)C1CC1 ZINC000172161925 384541566 /nfs/dbraw/zinc/54/15/66/384541566.db2.gz KRYAUPBMQLEBCK-ZIAGYGMSSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCc1cccnc1)C1CC1 ZINC000172161929 171361794 /nfs/dbraw/zinc/36/17/94/171361794.db2.gz KRYAUPBMQLEBCK-UONOGXRCSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCc1cccnc1)C1CC1 ZINC000172161932 384541126 /nfs/dbraw/zinc/54/11/26/384541126.db2.gz KRYAUPBMQLEBCK-KGLIPLIRSA-N 1 0 246.398 3.523 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCc1cccnc1)C1CC1 ZINC000172161936 171385959 /nfs/dbraw/zinc/38/59/59/171385959.db2.gz KRYAUPBMQLEBCK-KBPBESRZSA-N 1 0 246.398 3.523 20 0 BHADRO CC[N@@H+](Cc1nc2ccccc2s1)CC(C)C ZINC000172170477 134262454 /nfs/dbraw/zinc/26/24/54/134262454.db2.gz ISOLZGCURQEFEY-UHFFFAOYSA-N 1 0 248.395 3.774 20 0 BHADRO CCSCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000172383801 385529776 /nfs/dbraw/zinc/52/97/76/385529776.db2.gz VPAONIMKXMWQCH-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CCSCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000172383806 385529860 /nfs/dbraw/zinc/52/98/60/385529860.db2.gz VPAONIMKXMWQCH-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO CSCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000172396882 365322022 /nfs/dbraw/zinc/32/20/22/365322022.db2.gz TXDFXAFPGSSUQK-GFCCVEGCSA-N 1 0 239.384 3.560 20 0 BHADRO CSCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000172396887 365321089 /nfs/dbraw/zinc/32/10/89/365321089.db2.gz TXDFXAFPGSSUQK-LBPRGKRZSA-N 1 0 239.384 3.560 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000172418727 365322715 /nfs/dbraw/zinc/32/27/15/365322715.db2.gz RJOIEMUCOBNMIC-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000172418729 365323399 /nfs/dbraw/zinc/32/33/99/365323399.db2.gz RJOIEMUCOBNMIC-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CC=CCC1 ZINC000172475424 372987302 /nfs/dbraw/zinc/98/73/02/372987302.db2.gz YHRYIGJAVDUWLD-GRNBYLDVSA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC=CCC1 ZINC000172475427 372987661 /nfs/dbraw/zinc/98/76/61/372987661.db2.gz YHRYIGJAVDUWLD-WCRPCQDQSA-N 1 0 227.351 3.788 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)s1)C1CCC1 ZINC000172549014 365341575 /nfs/dbraw/zinc/34/15/75/365341575.db2.gz GUAUBWKYCNIVIR-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000172618236 134268539 /nfs/dbraw/zinc/26/85/39/134268539.db2.gz GFSBYTQPQATOSU-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000172618240 535807859 /nfs/dbraw/zinc/80/78/59/535807859.db2.gz GFSBYTQPQATOSU-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1F ZINC000172618242 134268575 /nfs/dbraw/zinc/26/85/75/134268575.db2.gz GFSBYTQPQATOSU-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1F ZINC000172618245 134268645 /nfs/dbraw/zinc/26/86/45/134268645.db2.gz GFSBYTQPQATOSU-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000172643096 323031197 /nfs/dbraw/zinc/03/11/97/323031197.db2.gz ULKNSSOREZIPHC-OAHLLOKOSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000172643100 323031253 /nfs/dbraw/zinc/03/12/53/323031253.db2.gz ULKNSSOREZIPHC-HNNXBMFYSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1nccn1C(C)C ZINC000172644104 323031212 /nfs/dbraw/zinc/03/12/12/323031212.db2.gz SSYQRBWYDLHNJH-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1nccn1C(C)C ZINC000172644109 323031162 /nfs/dbraw/zinc/03/11/62/323031162.db2.gz SSYQRBWYDLHNJH-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000172691019 384618579 /nfs/dbraw/zinc/61/85/79/384618579.db2.gz USGRCEBXOKKQOR-GHMZBOCLSA-N 1 0 209.358 3.684 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000172691022 171318232 /nfs/dbraw/zinc/31/82/32/171318232.db2.gz USGRCEBXOKKQOR-WDEREUQCSA-N 1 0 209.358 3.684 20 0 BHADRO CSCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000172718690 373057554 /nfs/dbraw/zinc/05/75/54/373057554.db2.gz RFINPOXERGPGPM-UHFFFAOYSA-N 1 0 249.423 3.619 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000172724530 529344849 /nfs/dbraw/zinc/34/48/49/529344849.db2.gz VXHCDIXBJUNARF-CQSZACIVSA-N 1 0 246.398 3.517 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000172724538 529691052 /nfs/dbraw/zinc/69/10/52/529691052.db2.gz VXHCDIXBJUNARF-AWEZNQCLSA-N 1 0 246.398 3.517 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1sc(C)nc1C ZINC000172728897 384514700 /nfs/dbraw/zinc/51/47/00/384514700.db2.gz BIEJSLBTALMMSC-GFCCVEGCSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1sc(C)nc1C ZINC000172728902 384514510 /nfs/dbraw/zinc/51/45/10/384514510.db2.gz BIEJSLBTALMMSC-LBPRGKRZSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C)C2CCCCC2)s1 ZINC000172728950 384515055 /nfs/dbraw/zinc/51/50/55/384515055.db2.gz GNBRGIGJWUOXAI-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C)c(C[NH+]2CCCCCCC2)s1 ZINC000172730058 641103104 /nfs/dbraw/zinc/10/31/04/641103104.db2.gz QEKQLDUVHKHAKY-UHFFFAOYSA-N 1 0 238.400 3.526 20 0 BHADRO FC(F)(F)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000172732750 365376357 /nfs/dbraw/zinc/37/63/57/365376357.db2.gz CMPNGVYQDCHUHU-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000172732753 365376172 /nfs/dbraw/zinc/37/61/72/365376172.db2.gz CMPNGVYQDCHUHU-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO COc1cccc(CCC[N@H+](C)C2CCCC2)c1 ZINC000172740007 365376129 /nfs/dbraw/zinc/37/61/29/365376129.db2.gz XOENFYHGXNNTRP-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO COc1cccc(CCC[N@H+](C(C)C)C2CC2)c1 ZINC000172746223 365378109 /nfs/dbraw/zinc/37/81/09/365378109.db2.gz FBPUVDOAGGBEEV-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1nc(C)c(C[N@@H+](CC(C)C)C(C)C)s1 ZINC000172748900 384524567 /nfs/dbraw/zinc/52/45/67/384524567.db2.gz VGMXAGHCWFVEIF-UHFFFAOYSA-N 1 0 240.416 3.626 20 0 BHADRO CC[N@H+](Cc1sc(C)nc1C)C1CCCC1 ZINC000172753811 384525313 /nfs/dbraw/zinc/52/53/13/384525313.db2.gz IQHOVFSZMTVTML-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO CC[N@H+](Cc1sc(C)nc1C)[C@@H](C)C(C)C ZINC000172810473 384527470 /nfs/dbraw/zinc/52/74/70/384527470.db2.gz LBWYBONCFQUALQ-NSHDSACASA-N 1 0 240.416 3.626 20 0 BHADRO CC[N@H+](Cc1sc(C)nc1C)[C@H](C)C(C)C ZINC000172810479 384528823 /nfs/dbraw/zinc/52/88/23/384528823.db2.gz LBWYBONCFQUALQ-LLVKDONJSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1cc(N2CCC[C@@H]2C)c2ccccc2[nH+]1 ZINC000172811430 134269920 /nfs/dbraw/zinc/26/99/20/134269920.db2.gz HNHDTHHYAYOTOD-LBPRGKRZSA-N 1 0 226.323 3.532 20 0 BHADRO Cc1cc(N2CCC[C@H]2C)c2ccccc2[nH+]1 ZINC000172811436 134269993 /nfs/dbraw/zinc/26/99/93/134269993.db2.gz HNHDTHHYAYOTOD-GFCCVEGCSA-N 1 0 226.323 3.532 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H]1C=CCCC1)C(C)C ZINC000172817162 179399684 /nfs/dbraw/zinc/39/96/84/179399684.db2.gz QANZQVIWTLOKSC-LSDHHAIUSA-N 1 0 244.382 3.785 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@H]1C=CCCC1)C(C)C ZINC000172817166 179397711 /nfs/dbraw/zinc/39/77/11/179397711.db2.gz QANZQVIWTLOKSC-GJZGRUSLSA-N 1 0 244.382 3.785 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1C=CCCC1)C(C)C ZINC000172817169 179399289 /nfs/dbraw/zinc/39/92/89/179399289.db2.gz QANZQVIWTLOKSC-HUUCEWRRSA-N 1 0 244.382 3.785 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@@H]1C=CCCC1)C(C)C ZINC000172817177 179398402 /nfs/dbraw/zinc/39/84/02/179398402.db2.gz QANZQVIWTLOKSC-CABCVRRESA-N 1 0 244.382 3.785 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C(C)C)C2CCC2)s1 ZINC000172832908 385536416 /nfs/dbraw/zinc/53/64/16/385536416.db2.gz IBCONYLSPLGWKM-UHFFFAOYSA-N 1 0 238.400 3.523 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CC1CCC(C)CC1 ZINC000172873147 365385732 /nfs/dbraw/zinc/38/57/32/365385732.db2.gz RWYQKQGULUREND-SLTAFYQDSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CC1CCC(C)CC1 ZINC000172873155 365385263 /nfs/dbraw/zinc/38/52/63/365385263.db2.gz RWYQKQGULUREND-SHARSMKWSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cnccc1NC(=O)C1CCCCCCC1 ZINC000172911339 384635154 /nfs/dbraw/zinc/63/51/54/384635154.db2.gz BDGRSJBSEICODZ-UHFFFAOYSA-N 1 0 246.354 3.689 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000172981903 205538192 /nfs/dbraw/zinc/53/81/92/205538192.db2.gz VLNLZRWDBBQHEP-HIFRSBDPSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000172981908 385539166 /nfs/dbraw/zinc/53/91/66/385539166.db2.gz VLNLZRWDBBQHEP-ZFWWWQNUSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000172981916 385540258 /nfs/dbraw/zinc/54/02/58/385540258.db2.gz VLNLZRWDBBQHEP-UKRRQHHQSA-N 1 0 215.340 3.754 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000172981920 385538982 /nfs/dbraw/zinc/53/89/82/385538982.db2.gz VLNLZRWDBBQHEP-DZGCQCFKSA-N 1 0 215.340 3.754 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000173172215 385545313 /nfs/dbraw/zinc/54/53/13/385545313.db2.gz NCRPUHLVVOBQDL-GFCCVEGCSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000173172226 385544658 /nfs/dbraw/zinc/54/46/58/385544658.db2.gz NCRPUHLVVOBQDL-LBPRGKRZSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1csc(C[NH+](CC(C)C)CC(C)C)n1 ZINC000173191918 534804378 /nfs/dbraw/zinc/80/43/78/534804378.db2.gz XKRKBGLCZSUHLY-UHFFFAOYSA-N 1 0 240.416 3.566 20 0 BHADRO Cc1csc(C[N@@H+](C(C)C)C2CCCC2)n1 ZINC000173210058 385545003 /nfs/dbraw/zinc/54/50/03/385545003.db2.gz ZVEBREQTOSQKRD-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO CC(C)[N@H+](C/C(Cl)=C/Cl)C1CCCC1 ZINC000173210119 641156791 /nfs/dbraw/zinc/15/67/91/641156791.db2.gz BMLOOMNMSCCHJW-YFHOEESVSA-N 1 0 236.186 3.958 20 0 BHADRO Cc1cccc([C@H](C)N(C)Cc2cscn2)c1 ZINC000173251602 179192853 /nfs/dbraw/zinc/19/28/53/179192853.db2.gz FBRZIUNNTBEJGY-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cnc(C[N@@H+](C(C)C)C2CCCCC2)o1 ZINC000173280084 229344762 /nfs/dbraw/zinc/34/47/62/229344762.db2.gz DNLUVQSTQJYZHS-UHFFFAOYSA-N 1 0 236.359 3.526 20 0 BHADRO CC(C)[N@H+](CCCCCCCO)C1CCCC1 ZINC000173292777 641162429 /nfs/dbraw/zinc/16/24/29/641162429.db2.gz AAOIKIUMRYYUQC-UHFFFAOYSA-N 1 0 241.419 3.582 20 0 BHADRO CSCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000173327937 533572714 /nfs/dbraw/zinc/57/27/14/533572714.db2.gz VAGGRXFJBDEUFN-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CSCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000173327952 533572387 /nfs/dbraw/zinc/57/23/87/533572387.db2.gz VAGGRXFJBDEUFN-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000173371066 365418973 /nfs/dbraw/zinc/41/89/73/365418973.db2.gz WGOHMPCYBGVMKL-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000173371080 365418856 /nfs/dbraw/zinc/41/88/56/365418856.db2.gz WGOHMPCYBGVMKL-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H](C)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000173371089 365418650 /nfs/dbraw/zinc/41/86/50/365418650.db2.gz WGOHMPCYBGVMKL-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000173371103 365418267 /nfs/dbraw/zinc/41/82/67/365418267.db2.gz WGOHMPCYBGVMKL-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)([NH2+]CCC1CCCC1)c1nccs1 ZINC000173419935 384218700 /nfs/dbraw/zinc/21/87/00/384218700.db2.gz ZONRZXPNRLTGGW-UHFFFAOYSA-N 1 0 238.400 3.548 20 0 BHADRO Cc1csc(C(C)(C)[NH2+]CCC(C)(C)C)n1 ZINC000173425818 384219248 /nfs/dbraw/zinc/21/92/48/384219248.db2.gz UUFIVJMCKCRPOZ-UHFFFAOYSA-N 1 0 240.416 3.712 20 0 BHADRO CCCCCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000173425882 641174480 /nfs/dbraw/zinc/17/44/80/641174480.db2.gz RMFYCAHJZBZOFR-UHFFFAOYSA-N 1 0 240.416 3.857 20 0 BHADRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1 ZINC000173438269 527864682 /nfs/dbraw/zinc/86/46/82/527864682.db2.gz FNNYMECJCZLZIC-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1 ZINC000173438279 527835352 /nfs/dbraw/zinc/83/53/52/527835352.db2.gz FNNYMECJCZLZIC-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC000173438291 527864596 /nfs/dbraw/zinc/86/45/96/527864596.db2.gz FNNYMECJCZLZIC-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC000173438302 527836507 /nfs/dbraw/zinc/83/65/07/527836507.db2.gz FNNYMECJCZLZIC-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO c1coc(C[NH+](Cc2ccco2)CC2CCC2)c1 ZINC000173441687 384220821 /nfs/dbraw/zinc/22/08/21/384220821.db2.gz NDDMBKCOSGVJOY-UHFFFAOYSA-N 1 0 245.322 3.675 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC1CC1 ZINC000173442507 384222179 /nfs/dbraw/zinc/22/21/79/384222179.db2.gz NZJUCIPTCGZWBS-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCC1CC1 ZINC000173442520 384222257 /nfs/dbraw/zinc/22/22/57/384222257.db2.gz NZJUCIPTCGZWBS-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2CC2CCC2)cc1 ZINC000173446656 384222911 /nfs/dbraw/zinc/22/29/11/384222911.db2.gz QOKSILCWRYJUJK-HNNXBMFYSA-N 1 0 215.340 3.624 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2CC2CCC2)cc1 ZINC000173446669 384221465 /nfs/dbraw/zinc/22/14/65/384221465.db2.gz QOKSILCWRYJUJK-OAHLLOKOSA-N 1 0 215.340 3.624 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(Cl)s1 ZINC000173455824 384686511 /nfs/dbraw/zinc/68/65/11/384686511.db2.gz RKLDYJFGCWHHAC-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)Cc2ccco2)c1 ZINC000173459069 384685241 /nfs/dbraw/zinc/68/52/41/384685241.db2.gz OAHXMWUNLBVSIP-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)Cc2ccco2)c1 ZINC000173459081 229351982 /nfs/dbraw/zinc/35/19/82/229351982.db2.gz OAHXMWUNLBVSIP-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO C[N@H+](CCCCCCCO)C1CCCCCC1 ZINC000173461673 641176082 /nfs/dbraw/zinc/17/60/82/641176082.db2.gz NZLBQSJGSZPAND-UHFFFAOYSA-N 1 0 241.419 3.584 20 0 BHADRO c1csc(C[N@@H+](CC2CCC2)C2CC2)c1 ZINC000173474373 384218960 /nfs/dbraw/zinc/21/89/60/384218960.db2.gz KAMXVIJIDGGJDT-UHFFFAOYSA-N 1 0 221.369 3.513 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCCCCCCO ZINC000173476515 641178505 /nfs/dbraw/zinc/17/85/05/641178505.db2.gz XCLUWEQGQDKOFE-HNNXBMFYSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCCCCCCO ZINC000173476525 641177068 /nfs/dbraw/zinc/17/70/68/641177068.db2.gz XCLUWEQGQDKOFE-OAHLLOKOSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@](C)([NH2+]CCC(C)(C)C)c1nccs1 ZINC000173498182 384228368 /nfs/dbraw/zinc/22/83/68/384228368.db2.gz ZUOMCRZEAWGNAP-ZDUSSCGKSA-N 1 0 240.416 3.794 20 0 BHADRO CC[C@@](C)([NH2+]CCC(C)(C)C)c1nccs1 ZINC000173498194 384227874 /nfs/dbraw/zinc/22/78/74/384227874.db2.gz ZUOMCRZEAWGNAP-CYBMUJFWSA-N 1 0 240.416 3.794 20 0 BHADRO C[N@H+](CCC1CC1)Cc1nc2ccccc2s1 ZINC000173502355 384684912 /nfs/dbraw/zinc/68/49/12/384684912.db2.gz HIJJPAREYIWNTF-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO CC[C@](C)([NH2+]CC1CCCC1)c1nccs1 ZINC000173507257 384231883 /nfs/dbraw/zinc/23/18/83/384231883.db2.gz KJAJZYKELAOEPH-ZDUSSCGKSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@@](C)([NH2+]CC1CCCC1)c1nccs1 ZINC000173507272 384230956 /nfs/dbraw/zinc/23/09/56/384230956.db2.gz KJAJZYKELAOEPH-CYBMUJFWSA-N 1 0 238.400 3.548 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2CCCCC2)c1 ZINC000173507658 384232258 /nfs/dbraw/zinc/23/22/58/384232258.db2.gz YHWJJGPEVNLUPH-CYBMUJFWSA-N 1 0 203.329 3.542 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2CCCCC2)c1 ZINC000173507665 384230097 /nfs/dbraw/zinc/23/00/97/384230097.db2.gz YHWJJGPEVNLUPH-ZDUSSCGKSA-N 1 0 203.329 3.542 20 0 BHADRO CC(C)[N@H+](Cc1ccccc1N(C)C)C1CCC1 ZINC000173518970 384688223 /nfs/dbraw/zinc/68/82/23/384688223.db2.gz HKNHRLMUMKOECE-UHFFFAOYSA-N 1 0 246.398 3.516 20 0 BHADRO CC[N@H+](CCCCCCCO)C1CCCCC1 ZINC000173527847 641182331 /nfs/dbraw/zinc/18/23/31/641182331.db2.gz KFRBTBMZKGZCJM-UHFFFAOYSA-N 1 0 241.419 3.584 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1CCC1 ZINC000173538911 176033315 /nfs/dbraw/zinc/03/33/15/176033315.db2.gz FFZBJMLXRKDQFK-JTQLQIEISA-N 1 0 209.358 3.541 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1CCC1 ZINC000173538923 177049412 /nfs/dbraw/zinc/04/94/12/177049412.db2.gz FFZBJMLXRKDQFK-SNVBAGLBSA-N 1 0 209.358 3.541 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)CCC1CC1 ZINC000173543538 384237563 /nfs/dbraw/zinc/23/75/63/384237563.db2.gz RFLGGPFGDXFBDU-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)CCC1CC1 ZINC000173543552 384238008 /nfs/dbraw/zinc/23/80/08/384238008.db2.gz RFLGGPFGDXFBDU-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)[N@@H+](Cc1cccs1)CC1CCC1 ZINC000173567462 384233504 /nfs/dbraw/zinc/23/35/04/384233504.db2.gz ATNDKUAIHYGTPH-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)C[N@H+](Cc1ccncc1Cl)C(C)C ZINC000173573499 387899534 /nfs/dbraw/zinc/89/95/34/387899534.db2.gz CENKUDSHZUQHSI-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+](C)CCC1CC1 ZINC000173583726 534088810 /nfs/dbraw/zinc/08/88/10/534088810.db2.gz FGKIFHWVRDKRGA-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+](C)CCC1CC1 ZINC000173583741 534127251 /nfs/dbraw/zinc/12/72/51/534127251.db2.gz FGKIFHWVRDKRGA-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO C[N@H+](CCc1c(F)cccc1Cl)C1CCC1 ZINC000173616721 529932540 /nfs/dbraw/zinc/93/25/40/529932540.db2.gz WBUIFFJSCOFMOL-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO Cc1cnc(C[N@H+](CC2CC2)C2CCCCC2)o1 ZINC000173636693 384241000 /nfs/dbraw/zinc/24/10/00/384241000.db2.gz MJOUBHWEZSKLME-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCCCCCCO ZINC000173639692 641187123 /nfs/dbraw/zinc/18/71/23/641187123.db2.gz BMDMXIBYCFUDCQ-UHFFFAOYSA-N 1 0 243.435 3.734 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCc1ccccn1 ZINC000173702707 527877462 /nfs/dbraw/zinc/87/74/62/527877462.db2.gz HCVSYCVGGODVBR-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCc1ccccn1 ZINC000173702723 528445101 /nfs/dbraw/zinc/44/51/01/528445101.db2.gz HCVSYCVGGODVBR-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1ccccn1 ZINC000173702736 527876648 /nfs/dbraw/zinc/87/66/48/527876648.db2.gz HCVSYCVGGODVBR-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCc1ccccn1 ZINC000173702750 528442797 /nfs/dbraw/zinc/44/27/97/528442797.db2.gz HCVSYCVGGODVBR-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCc1ccncc1 ZINC000173705030 535510140 /nfs/dbraw/zinc/51/01/40/535510140.db2.gz NDDSJWLIONNNEX-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCc1ccncc1 ZINC000173705041 134276746 /nfs/dbraw/zinc/27/67/46/134276746.db2.gz NDDSJWLIONNNEX-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1ccncc1 ZINC000173705049 535506901 /nfs/dbraw/zinc/50/69/01/535506901.db2.gz NDDSJWLIONNNEX-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCc1ccncc1 ZINC000173705057 134276708 /nfs/dbraw/zinc/27/67/08/134276708.db2.gz NDDSJWLIONNNEX-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCc1cccnc1 ZINC000173706308 535509897 /nfs/dbraw/zinc/50/98/97/535509897.db2.gz GVOIUEHGCLLMEW-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCc1cccnc1 ZINC000173706321 134276815 /nfs/dbraw/zinc/27/68/15/134276815.db2.gz GVOIUEHGCLLMEW-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1cccnc1 ZINC000173706332 535507076 /nfs/dbraw/zinc/50/70/76/535507076.db2.gz GVOIUEHGCLLMEW-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCc1cccnc1 ZINC000173706343 134276521 /nfs/dbraw/zinc/27/65/21/134276521.db2.gz GVOIUEHGCLLMEW-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@H+](C)CC2CCC2)s1 ZINC000173712422 229358143 /nfs/dbraw/zinc/35/81/43/229358143.db2.gz GRAFOLYKLVZNSC-SNVBAGLBSA-N 1 0 238.400 3.553 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@H+](C)CC2CCC2)s1 ZINC000173712431 229358511 /nfs/dbraw/zinc/35/85/11/229358511.db2.gz GRAFOLYKLVZNSC-JTQLQIEISA-N 1 0 238.400 3.553 20 0 BHADRO c1ccc([C@@H]2CSCC[N@H+]2CC2CCC2)cc1 ZINC000173757092 384265900 /nfs/dbraw/zinc/26/59/00/384265900.db2.gz JFGRKZKGSQIUMJ-HNNXBMFYSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2CSCC[N@H+]2CC2CCC2)cc1 ZINC000173757102 384264470 /nfs/dbraw/zinc/26/44/70/384264470.db2.gz JFGRKZKGSQIUMJ-OAHLLOKOSA-N 1 0 247.407 3.577 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000173794158 384721193 /nfs/dbraw/zinc/72/11/93/384721193.db2.gz GMOSKAOMYMYGCY-LBPRGKRZSA-N 1 0 244.338 3.792 20 0 BHADRO CCCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000173794169 384721146 /nfs/dbraw/zinc/72/11/46/384721146.db2.gz GMOSKAOMYMYGCY-GFCCVEGCSA-N 1 0 244.338 3.792 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000173796735 167012082 /nfs/dbraw/zinc/01/20/82/167012082.db2.gz UOQKQYXCSHKWAD-LBPRGKRZSA-N 1 0 244.338 3.648 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000173796745 167013976 /nfs/dbraw/zinc/01/39/76/167013976.db2.gz UOQKQYXCSHKWAD-GFCCVEGCSA-N 1 0 244.338 3.648 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1ccncc1 ZINC000173883099 176842198 /nfs/dbraw/zinc/84/21/98/176842198.db2.gz XMENASLUHXWRLR-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1ccncc1 ZINC000173883112 384732739 /nfs/dbraw/zinc/73/27/39/384732739.db2.gz XMENASLUHXWRLR-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCC2)c2ccccc2n1 ZINC000173917961 384734715 /nfs/dbraw/zinc/73/47/15/384734715.db2.gz PJLZHMTYNANGKW-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO CC[C@](C)([NH2+]CC=C(C)C)c1nc(C)cs1 ZINC000173948687 384291980 /nfs/dbraw/zinc/29/19/80/384291980.db2.gz SZZHFPIHWWFFGY-ZDUSSCGKSA-N 1 0 238.400 3.633 20 0 BHADRO CC[C@@](C)([NH2+]CC=C(C)C)c1nc(C)cs1 ZINC000173948700 171173522 /nfs/dbraw/zinc/17/35/22/171173522.db2.gz SZZHFPIHWWFFGY-CYBMUJFWSA-N 1 0 238.400 3.633 20 0 BHADRO Cc1nc(C(C)(C)[NH2+]CCC(C)C)sc1C ZINC000173953402 384291690 /nfs/dbraw/zinc/29/16/90/384291690.db2.gz SEQPTFBEGGAMPM-UHFFFAOYSA-N 1 0 240.416 3.631 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000173956951 527728678 /nfs/dbraw/zinc/72/86/78/527728678.db2.gz ZYIAONJEHHLYSB-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000173956966 528050421 /nfs/dbraw/zinc/05/04/21/528050421.db2.gz ZYIAONJEHHLYSB-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000173956982 527731409 /nfs/dbraw/zinc/73/14/09/527731409.db2.gz ZYIAONJEHHLYSB-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](CC[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000173956994 528050168 /nfs/dbraw/zinc/05/01/68/528050168.db2.gz ZYIAONJEHHLYSB-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000173960507 384292815 /nfs/dbraw/zinc/29/28/15/384292815.db2.gz PGBIKSNITSNNGV-UHFFFAOYSA-N 1 0 238.400 3.551 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCc2cccnc2)C1 ZINC000174002348 134279835 /nfs/dbraw/zinc/27/98/35/134279835.db2.gz URRBUGGEIDNBLC-MRXNPFEDSA-N 1 0 246.398 3.526 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCc2cccnc2)C1 ZINC000174002363 535552788 /nfs/dbraw/zinc/55/27/88/535552788.db2.gz URRBUGGEIDNBLC-INIZCTEOSA-N 1 0 246.398 3.526 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)[C@H]1C=CCCC1 ZINC000174033015 134278320 /nfs/dbraw/zinc/27/83/20/134278320.db2.gz SFNLVKBYNVALBT-OLZOCXBDSA-N 1 0 227.417 3.559 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)[C@H]1C=CCCC1 ZINC000174033026 134278717 /nfs/dbraw/zinc/27/87/17/134278717.db2.gz SFNLVKBYNVALBT-STQMWFEESA-N 1 0 227.417 3.559 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000174113035 205554640 /nfs/dbraw/zinc/55/46/40/205554640.db2.gz AWIZIJIZQLILMR-STQMWFEESA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000174113044 205554912 /nfs/dbraw/zinc/55/49/12/205554912.db2.gz AWIZIJIZQLILMR-OLZOCXBDSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ccncc1 ZINC000174113056 384300176 /nfs/dbraw/zinc/30/01/76/384300176.db2.gz AWIZIJIZQLILMR-QWHCGFSZSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ccncc1 ZINC000174113067 205553671 /nfs/dbraw/zinc/55/36/71/205553671.db2.gz AWIZIJIZQLILMR-CHWSQXEVSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174143600 363057433 /nfs/dbraw/zinc/05/74/33/363057433.db2.gz TXTDFKRBJRDCNF-ZDUSSCGKSA-N 1 0 235.396 3.511 20 0 BHADRO CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174143614 363056767 /nfs/dbraw/zinc/05/67/67/363056767.db2.gz TXTDFKRBJRDCNF-CYBMUJFWSA-N 1 0 235.396 3.511 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(C2)CCCCCC3)no1 ZINC000174172693 134279379 /nfs/dbraw/zinc/27/93/79/134279379.db2.gz HYCHHNOYSAXUJA-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO FC(F)(F)C1CC[NH+](CCC2CCCC2)CC1 ZINC000174185793 534380641 /nfs/dbraw/zinc/38/06/41/534380641.db2.gz ZDSVYWNMSQDTRH-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO CC(C)(C)CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000174188671 365476737 /nfs/dbraw/zinc/47/67/37/365476737.db2.gz XLVPOQJIDIYENI-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO c1csc(CC[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174269196 641261156 /nfs/dbraw/zinc/26/11/56/641261156.db2.gz VXDWFNGHGBAWDA-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCS1 ZINC000174361309 365483398 /nfs/dbraw/zinc/48/33/98/365483398.db2.gz KTHZYQRKRSAEMG-GXTWGEPZSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCS1 ZINC000174361324 365483139 /nfs/dbraw/zinc/48/31/39/365483139.db2.gz KTHZYQRKRSAEMG-JSGCOSHPSA-N 1 0 235.396 3.575 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(COC)cc1 ZINC000174402281 323075076 /nfs/dbraw/zinc/07/50/76/323075076.db2.gz JQNIOFJBAJKXRJ-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(COC)c1 ZINC000174402296 323075057 /nfs/dbraw/zinc/07/50/57/323075057.db2.gz GYIWLTUHZYYOOT-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2C)c1 ZINC000174407943 134281205 /nfs/dbraw/zinc/28/12/05/134281205.db2.gz LAFBQIMDSPGFLO-QWHCGFSZSA-N 1 0 203.329 3.540 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2C)c1 ZINC000174407956 134281471 /nfs/dbraw/zinc/28/14/71/134281471.db2.gz LAFBQIMDSPGFLO-STQMWFEESA-N 1 0 203.329 3.540 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C)c2ccccc2n1 ZINC000174414913 134282177 /nfs/dbraw/zinc/28/21/77/134282177.db2.gz BCKWWALUNHSTNO-ZDUSSCGKSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C)c2ccccc2n1 ZINC000174414926 134281853 /nfs/dbraw/zinc/28/18/53/134281853.db2.gz BCKWWALUNHSTNO-CYBMUJFWSA-N 1 0 240.350 3.528 20 0 BHADRO CSC(C)(C)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000174438107 638474288 /nfs/dbraw/zinc/47/42/88/638474288.db2.gz NWCWQTPGWHPBBM-JLHYYAGUSA-N 1 0 249.423 3.821 20 0 BHADRO Cc1cccc2c(CC[NH2+]CC(C)(C)C)c[nH]c21 ZINC000174447766 374206076 /nfs/dbraw/zinc/20/60/76/374206076.db2.gz ZZKWIVZPCYLRPD-UHFFFAOYSA-N 1 0 244.382 3.655 20 0 BHADRO CCC[C@]1(C)CCCN(Cc2cscn2)C1 ZINC000174452704 384793593 /nfs/dbraw/zinc/79/35/93/384793593.db2.gz XSBFKQWEKDSOTC-CYBMUJFWSA-N 1 0 238.400 3.545 20 0 BHADRO CCC[C@@]1(C)CCCN(Cc2cscn2)C1 ZINC000174452716 384794743 /nfs/dbraw/zinc/79/47/43/384794743.db2.gz XSBFKQWEKDSOTC-ZDUSSCGKSA-N 1 0 238.400 3.545 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCc2ccncc2)C1 ZINC000174454308 134281691 /nfs/dbraw/zinc/28/16/91/134281691.db2.gz ZVVUEZLBHXPOHL-MRXNPFEDSA-N 1 0 246.398 3.526 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCc2ccncc2)C1 ZINC000174454321 535553701 /nfs/dbraw/zinc/55/37/01/535553701.db2.gz ZVVUEZLBHXPOHL-INIZCTEOSA-N 1 0 246.398 3.526 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000174511542 374234322 /nfs/dbraw/zinc/23/43/22/374234322.db2.gz DZIJVEACXKFDLQ-UHFFFAOYSA-N 1 0 245.370 3.621 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cnn(C(C)C)c1 ZINC000174511584 205557449 /nfs/dbraw/zinc/55/74/49/205557449.db2.gz SGPZMLBMLWFAEQ-UHFFFAOYSA-N 1 0 237.391 3.522 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)o1 ZINC000174534318 365496128 /nfs/dbraw/zinc/49/61/28/365496128.db2.gz CGAVIIPWGXRIJA-NSHDSACASA-N 1 0 249.379 3.618 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)Cc2cccs2)o1 ZINC000174534333 365495738 /nfs/dbraw/zinc/49/57/38/365495738.db2.gz CGAVIIPWGXRIJA-LLVKDONJSA-N 1 0 249.379 3.618 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000174554489 365497193 /nfs/dbraw/zinc/49/71/93/365497193.db2.gz RSTYGSYJKCHDJF-ZDUSSCGKSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000174554502 346883309 /nfs/dbraw/zinc/88/33/09/346883309.db2.gz RSTYGSYJKCHDJF-CYBMUJFWSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000174555804 365497208 /nfs/dbraw/zinc/49/72/08/365497208.db2.gz HXNYHVKEVZTRNO-AWEZNQCLSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000174555816 365497719 /nfs/dbraw/zinc/49/77/19/365497719.db2.gz HXNYHVKEVZTRNO-CQSZACIVSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000174557153 365497709 /nfs/dbraw/zinc/49/77/09/365497709.db2.gz QHCKCMHAULUHAX-AWEZNQCLSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000174557165 365496740 /nfs/dbraw/zinc/49/67/40/365496740.db2.gz QHCKCMHAULUHAX-CQSZACIVSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000174557183 361930416 /nfs/dbraw/zinc/93/04/16/361930416.db2.gz VGCRXGCOGJRODE-AWEZNQCLSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000174557194 361930073 /nfs/dbraw/zinc/93/00/73/361930073.db2.gz VGCRXGCOGJRODE-CQSZACIVSA-N 1 0 249.398 3.597 20 0 BHADRO CC[N@H+](Cc1ccncc1Cl)[C@@H](C)C(C)C ZINC000174863734 528861444 /nfs/dbraw/zinc/86/14/44/528861444.db2.gz CRADDNIKMDDMFO-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1ccncc1Cl)[C@H](C)C(C)C ZINC000174863746 528862013 /nfs/dbraw/zinc/86/20/13/528862013.db2.gz CRADDNIKMDDMFO-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO CC(C)CC[NH2+]C1(c2nccs2)CCCC1 ZINC000175015922 384386095 /nfs/dbraw/zinc/38/60/95/384386095.db2.gz IWJGYCMHBRVJQX-UHFFFAOYSA-N 1 0 238.400 3.548 20 0 BHADRO CCCC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000175018505 384384078 /nfs/dbraw/zinc/38/40/78/384384078.db2.gz HLEWPKAXTSMFEY-UHFFFAOYSA-N 1 0 238.400 3.611 20 0 BHADRO Cc1cccc([C@H](C)N(C)Cc2nccs2)c1 ZINC000175047720 179193449 /nfs/dbraw/zinc/19/34/49/179193449.db2.gz MLRBJZNHWRTTML-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CC(C)CC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175115801 527724826 /nfs/dbraw/zinc/72/48/26/527724826.db2.gz ABCDVQVAXOSXLB-OAHLLOKOSA-N 1 0 234.387 3.598 20 0 BHADRO CC(C)CC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175115819 527726617 /nfs/dbraw/zinc/72/66/17/527726617.db2.gz ABCDVQVAXOSXLB-HNNXBMFYSA-N 1 0 234.387 3.598 20 0 BHADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000175118872 229215945 /nfs/dbraw/zinc/21/59/45/229215945.db2.gz WRBGKXKZIYVDSW-HOCLYGCPSA-N 1 0 244.382 3.661 20 0 BHADRO Cn1cccc1[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000175118890 229215900 /nfs/dbraw/zinc/21/59/00/229215900.db2.gz WRBGKXKZIYVDSW-GOEBONIOSA-N 1 0 244.382 3.661 20 0 BHADRO CC(C)=CC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175133096 365532655 /nfs/dbraw/zinc/53/26/55/365532655.db2.gz JYLYRXOSAKILKQ-OAHLLOKOSA-N 1 0 232.371 3.518 20 0 BHADRO CC(C)=CC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175133118 365531935 /nfs/dbraw/zinc/53/19/35/365531935.db2.gz JYLYRXOSAKILKQ-HNNXBMFYSA-N 1 0 232.371 3.518 20 0 BHADRO CSCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000175178085 134285999 /nfs/dbraw/zinc/28/59/99/134285999.db2.gz QOHGDTZQOIDKGM-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO CC(C)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175182686 388425961 /nfs/dbraw/zinc/42/59/61/388425961.db2.gz RPZLDPZTSUBEBL-UHFFFAOYSA-N 1 0 217.312 3.521 20 0 BHADRO CCSCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000175187432 365536320 /nfs/dbraw/zinc/53/63/20/365536320.db2.gz HYGUNXYXAVTMLZ-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000175276034 384420369 /nfs/dbraw/zinc/42/03/69/384420369.db2.gz NDXUODWUDNJGSF-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000175276055 384420291 /nfs/dbraw/zinc/42/02/91/384420291.db2.gz NDXUODWUDNJGSF-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]1C ZINC000175285244 134286358 /nfs/dbraw/zinc/28/63/58/134286358.db2.gz LEQYUFKOXBNUHD-MNOVXSKESA-N 1 0 236.359 3.517 20 0 BHADRO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]1C ZINC000175285262 134286268 /nfs/dbraw/zinc/28/62/68/134286268.db2.gz LEQYUFKOXBNUHD-QWRGUYRKSA-N 1 0 236.359 3.517 20 0 BHADRO CC(C)[N@H+](CCCCCCO)C1CCCCC1 ZINC000175422466 642683854 /nfs/dbraw/zinc/68/38/54/642683854.db2.gz IEPQDSRIMBHMTD-UHFFFAOYSA-N 1 0 241.419 3.582 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000175427609 365552564 /nfs/dbraw/zinc/55/25/64/365552564.db2.gz QREHMTHPJRVVIB-UHFFFAOYSA-N 1 0 242.366 3.770 20 0 BHADRO CC[N@H+](Cc1cnc(Cl)s1)[C@@H](C)C(C)C ZINC000175445269 346897059 /nfs/dbraw/zinc/89/70/59/346897059.db2.gz OKLZUJGZIGJPHI-VIFPVBQESA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1cnc(Cl)s1)[C@H](C)C(C)C ZINC000175445291 346897090 /nfs/dbraw/zinc/89/70/90/346897090.db2.gz OKLZUJGZIGJPHI-SECBINFHSA-N 1 0 246.807 3.663 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CCCCCO)cc1 ZINC000175489640 384918205 /nfs/dbraw/zinc/91/82/05/384918205.db2.gz ZIGPANBJVATYFN-CQSZACIVSA-N 1 0 249.398 3.623 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CCCCCO)cc1 ZINC000175489660 167617622 /nfs/dbraw/zinc/61/76/22/167617622.db2.gz ZIGPANBJVATYFN-AWEZNQCLSA-N 1 0 249.398 3.623 20 0 BHADRO CCCCCC[N@H+](C)Cc1ncc(CC)s1 ZINC000175506112 642691064 /nfs/dbraw/zinc/69/10/64/642691064.db2.gz HYBDKAYAXYMBAN-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCc1cnc(C[N@H+](C)CCC(C)(C)C)s1 ZINC000175521467 365559383 /nfs/dbraw/zinc/55/93/83/365559383.db2.gz VYFYRYHJZUSLLD-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000175584508 365562861 /nfs/dbraw/zinc/56/28/61/365562861.db2.gz FJQMSBGJYZKLCM-UHFFFAOYSA-N 1 0 231.261 3.546 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C/C=C/Cl ZINC000175605586 642705180 /nfs/dbraw/zinc/70/51/80/642705180.db2.gz XMYLGAOKWVOBIR-DHTPOUDLSA-N 1 0 235.758 3.617 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C/C=C/Cl ZINC000175605619 642704739 /nfs/dbraw/zinc/70/47/39/642704739.db2.gz XMYLGAOKWVOBIR-QOHHBZBFSA-N 1 0 235.758 3.617 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccnc(Cl)c1 ZINC000175673375 642709434 /nfs/dbraw/zinc/70/94/34/642709434.db2.gz REIHIXHIULCIDW-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000175684238 384477739 /nfs/dbraw/zinc/47/77/39/384477739.db2.gz UHGCWNOKRITRHV-STQMWFEESA-N 1 0 231.339 3.914 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000175684258 384477126 /nfs/dbraw/zinc/47/71/26/384477126.db2.gz UHGCWNOKRITRHV-OLZOCXBDSA-N 1 0 231.339 3.914 20 0 BHADRO c1cc(C[NH2+]CCCCCc2ccccc2)c[nH]1 ZINC000175705794 365578110 /nfs/dbraw/zinc/57/81/10/365578110.db2.gz NWNCRVZMFDGXPC-UHFFFAOYSA-N 1 0 242.366 3.517 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000175705982 365577767 /nfs/dbraw/zinc/57/77/67/365577767.db2.gz RRCQDXXAUQMRLN-INIZCTEOSA-N 1 0 242.366 3.516 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000175706000 365578261 /nfs/dbraw/zinc/57/82/61/365578261.db2.gz RRCQDXXAUQMRLN-MRXNPFEDSA-N 1 0 242.366 3.516 20 0 BHADRO c1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000175706620 384947626 /nfs/dbraw/zinc/94/76/26/384947626.db2.gz UPMQBKVTFQCMFV-INIZCTEOSA-N 1 0 240.350 3.646 20 0 BHADRO c1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000175706639 384946572 /nfs/dbraw/zinc/94/65/72/384946572.db2.gz UPMQBKVTFQCMFV-MRXNPFEDSA-N 1 0 240.350 3.646 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]Cc1cc[nH]c1)C(C)C ZINC000175709560 365579761 /nfs/dbraw/zinc/57/97/61/365579761.db2.gz BGWWPGLSIBHJRD-MRXNPFEDSA-N 1 0 242.366 3.810 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]Cc1cc[nH]c1)C(C)C ZINC000175709576 365580227 /nfs/dbraw/zinc/58/02/27/365580227.db2.gz BGWWPGLSIBHJRD-INIZCTEOSA-N 1 0 242.366 3.810 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCCCCCO)cc1 ZINC000175747237 384955400 /nfs/dbraw/zinc/95/54/00/384955400.db2.gz PYFRETMETFLSJA-OAHLLOKOSA-N 1 0 249.398 3.541 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCCCCCO)cc1 ZINC000175747253 384955490 /nfs/dbraw/zinc/95/54/90/384955490.db2.gz PYFRETMETFLSJA-HNNXBMFYSA-N 1 0 249.398 3.541 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000175802394 205577566 /nfs/dbraw/zinc/57/75/66/205577566.db2.gz GQQCVPGAQCKAKF-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CCC[NH+](CCC)Cc1cc(-c2ccco2)on1 ZINC000175872507 585029192 /nfs/dbraw/zinc/02/91/92/585029192.db2.gz OQILYMAZRMRYPU-UHFFFAOYSA-N 1 0 248.326 3.557 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000176100868 388450190 /nfs/dbraw/zinc/45/01/90/388450190.db2.gz MBLCJGLYZKMLGC-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000176100886 388450362 /nfs/dbraw/zinc/45/03/62/388450362.db2.gz MBLCJGLYZKMLGC-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000176100905 229257021 /nfs/dbraw/zinc/25/70/21/229257021.db2.gz MBLCJGLYZKMLGC-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000176100917 388450357 /nfs/dbraw/zinc/45/03/57/388450357.db2.gz MBLCJGLYZKMLGC-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000176239361 384581446 /nfs/dbraw/zinc/58/14/46/384581446.db2.gz RRIFRAZOVFJANB-LLVKDONJSA-N 1 0 246.379 3.528 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000176239378 385047296 /nfs/dbraw/zinc/04/72/96/385047296.db2.gz RRIFRAZOVFJANB-NSHDSACASA-N 1 0 246.379 3.528 20 0 BHADRO FC(F)(F)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000176243258 385046702 /nfs/dbraw/zinc/04/67/02/385046702.db2.gz XWHFUYRZWWFHIJ-VIFPVBQESA-N 1 0 249.301 3.522 20 0 BHADRO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000176243275 385046437 /nfs/dbraw/zinc/04/64/37/385046437.db2.gz XWHFUYRZWWFHIJ-SECBINFHSA-N 1 0 249.301 3.522 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCS1 ZINC000176249763 343761531 /nfs/dbraw/zinc/76/15/31/343761531.db2.gz PQINJSZZGIVZAU-VOMSXAGXSA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCCS1 ZINC000176249780 343761629 /nfs/dbraw/zinc/76/16/29/343761629.db2.gz PQINJSZZGIVZAU-NRMKIYEFSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000176254232 388451084 /nfs/dbraw/zinc/45/10/84/388451084.db2.gz MQWBRRBKRPNJNV-FPMFFAJLSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000176254254 388451165 /nfs/dbraw/zinc/45/11/65/388451165.db2.gz MQWBRRBKRPNJNV-BNOWGMLFSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000176254282 534130685 /nfs/dbraw/zinc/13/06/85/534130685.db2.gz MQWBRRBKRPNJNV-MRVWCRGKSA-N 1 0 233.330 3.619 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)CC2 ZINC000176279435 388451159 /nfs/dbraw/zinc/45/11/59/388451159.db2.gz JLLUBINGVXJRSE-DVOMOZLQSA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)CC2 ZINC000176279450 388451197 /nfs/dbraw/zinc/45/11/97/388451197.db2.gz JLLUBINGVXJRSE-ZENOOKHLSA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1C[C@H]3CCC[C@@H]3C1)CC2 ZINC000176279468 388451061 /nfs/dbraw/zinc/45/10/61/388451061.db2.gz JLLUBINGVXJRSE-XJKCOSOUSA-N 1 0 245.341 3.545 20 0 BHADRO Clc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000176280112 365705676 /nfs/dbraw/zinc/70/56/76/365705676.db2.gz OYZZHCZOPBIWNP-AOOOYVTPSA-N 1 0 241.787 3.633 20 0 BHADRO C[N@H+](CCc1cccnc1)C1CCC(C)(C)CC1 ZINC000176294077 134290677 /nfs/dbraw/zinc/29/06/77/134290677.db2.gz ZDAICCOWRLDLKV-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1nc(C[N@@H+](CC(C)C)C(C)C)sc1C ZINC000176332112 385065547 /nfs/dbraw/zinc/06/55/47/385065547.db2.gz OKPJUSUJIXJGJI-UHFFFAOYSA-N 1 0 240.416 3.626 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1nc(C)c(C)s1 ZINC000176388758 384620549 /nfs/dbraw/zinc/62/05/49/384620549.db2.gz CLBVBWCRZKKAQO-SNVBAGLBSA-N 1 0 240.416 3.628 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1nc(C)c(C)s1 ZINC000176388774 384620112 /nfs/dbraw/zinc/62/01/12/384620112.db2.gz CLBVBWCRZKKAQO-JTQLQIEISA-N 1 0 240.416 3.628 20 0 BHADRO CCC1(C(=O)Nc2ccc(C)nc2C)CCCC1 ZINC000176708816 385140504 /nfs/dbraw/zinc/14/05/04/385140504.db2.gz AFKHOIMMOASEKF-UHFFFAOYSA-N 1 0 246.354 3.607 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000176710326 205593577 /nfs/dbraw/zinc/59/35/77/205593577.db2.gz PIWONCUQXBIHNA-CQSZACIVSA-N 1 0 246.398 3.565 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000176710345 384743977 /nfs/dbraw/zinc/74/39/77/384743977.db2.gz PIWONCUQXBIHNA-AWEZNQCLSA-N 1 0 246.398 3.565 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000176881891 365923339 /nfs/dbraw/zinc/92/33/39/365923339.db2.gz IOILMVAEXBPENG-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000176881910 365922005 /nfs/dbraw/zinc/92/20/05/365922005.db2.gz IOILMVAEXBPENG-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO FC(F)(F)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000176884490 388465914 /nfs/dbraw/zinc/46/59/14/388465914.db2.gz FBYYXZHAWMSUOV-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000176884507 388465816 /nfs/dbraw/zinc/46/58/16/388465816.db2.gz FBYYXZHAWMSUOV-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC3(CCC3)C2)s1 ZINC000176925868 134294967 /nfs/dbraw/zinc/29/49/67/134294967.db2.gz FLRSJJFVNSYDRL-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000176929093 534089929 /nfs/dbraw/zinc/08/99/29/534089929.db2.gz FEYGFQUTERHSPX-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000176929111 388467353 /nfs/dbraw/zinc/46/73/53/388467353.db2.gz FEYGFQUTERHSPX-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000176939621 388467512 /nfs/dbraw/zinc/46/75/12/388467512.db2.gz WBFUXEKXVFLNCV-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000176939640 388467668 /nfs/dbraw/zinc/46/76/68/388467668.db2.gz WBFUXEKXVFLNCV-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO Clc1cnccc1N1CCC2(CCCC2)C1 ZINC000176942289 632650188 /nfs/dbraw/zinc/65/01/88/632650188.db2.gz CSTMOGQVTCISHF-UHFFFAOYSA-N 1 0 236.746 3.506 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC3(CCC3)C1)CC2 ZINC000176943165 388467924 /nfs/dbraw/zinc/46/79/24/388467924.db2.gz DCOUZRQOXHLCBJ-OAHLLOKOSA-N 1 0 245.341 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC3(CCC3)C1)CC2 ZINC000176943177 388467421 /nfs/dbraw/zinc/46/74/21/388467421.db2.gz DCOUZRQOXHLCBJ-HNNXBMFYSA-N 1 0 245.341 3.689 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176966124 384829083 /nfs/dbraw/zinc/82/90/83/384829083.db2.gz KTOTXXANIYGWMU-SNVBAGLBSA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000176966141 384830459 /nfs/dbraw/zinc/83/04/59/384830459.db2.gz KTOTXXANIYGWMU-JTQLQIEISA-N 1 0 240.416 3.671 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000177042390 179069703 /nfs/dbraw/zinc/06/97/03/179069703.db2.gz ZYYICDHRKNUDAW-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000177042404 179069155 /nfs/dbraw/zinc/06/91/55/179069155.db2.gz ZYYICDHRKNUDAW-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CCC(CC)[N@@H+](Cc1cccnc1)CC(C)C ZINC000177064667 134297259 /nfs/dbraw/zinc/29/72/59/134297259.db2.gz AWUBGWSBAFMDAE-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO CCC(CC)[N@@H+](Cc1cscn1)CC(C)C ZINC000177064731 365962399 /nfs/dbraw/zinc/96/23/99/365962399.db2.gz JBHHLTGKFDKPIN-UHFFFAOYSA-N 1 0 240.416 3.790 20 0 BHADRO CCC(CC)[N@@H+](Cc1ccncc1)CC(C)C ZINC000177064919 134296925 /nfs/dbraw/zinc/29/69/25/134296925.db2.gz DHMUFXARCYXISS-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO CC[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000177094387 384867356 /nfs/dbraw/zinc/86/73/56/384867356.db2.gz GZLYQFUXHWXEII-UHFFFAOYSA-N 1 0 240.350 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc2ccccc2s1 ZINC000177100298 388475803 /nfs/dbraw/zinc/47/58/03/388475803.db2.gz NFCMQOBITCDDKU-QWRGUYRKSA-N 1 0 246.379 3.669 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc2ccccc2s1 ZINC000177100316 388475793 /nfs/dbraw/zinc/47/57/93/388475793.db2.gz NFCMQOBITCDDKU-GHMZBOCLSA-N 1 0 246.379 3.669 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000177108171 388475775 /nfs/dbraw/zinc/47/57/75/388475775.db2.gz DVNIZWASTAAJDW-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000177108189 388475679 /nfs/dbraw/zinc/47/56/79/388475679.db2.gz DVNIZWASTAAJDW-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)s1 ZINC000177112697 385185510 /nfs/dbraw/zinc/18/55/10/385185510.db2.gz BJKHGEMFECRPHR-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)s1 ZINC000177112712 385183357 /nfs/dbraw/zinc/18/33/57/385183357.db2.gz BJKHGEMFECRPHR-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO CC(C)[C@H]([NH2+]CCCCCCO)c1ccccc1 ZINC000177155061 385192440 /nfs/dbraw/zinc/19/24/40/385192440.db2.gz RWSNAUSRWGBXJC-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCCCCO)c1ccccc1 ZINC000177155072 385190625 /nfs/dbraw/zinc/19/06/25/385190625.db2.gz RWSNAUSRWGBXJC-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO CCCCC[NH2+]C1(c2nccs2)CCCC1 ZINC000177166377 384881992 /nfs/dbraw/zinc/88/19/92/384881992.db2.gz PPSOCSVSMZPASU-UHFFFAOYSA-N 1 0 238.400 3.692 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CC1)[C@H]1C=CCCC1 ZINC000177169624 323077140 /nfs/dbraw/zinc/07/71/40/323077140.db2.gz CDWSACMPWICUMM-LBPRGKRZSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CC1)[C@@H]1C=CCCC1 ZINC000177169638 323077124 /nfs/dbraw/zinc/07/71/24/323077124.db2.gz CDWSACMPWICUMM-GFCCVEGCSA-N 1 0 247.304 3.760 20 0 BHADRO C[C@@H](c1ccccn1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000177188409 365985375 /nfs/dbraw/zinc/98/53/75/365985375.db2.gz SPSGOACBYLEGHC-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000177188423 365985455 /nfs/dbraw/zinc/98/54/55/365985455.db2.gz SPSGOACBYLEGHC-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@@H](C)C2CC2)C(C)C)cc1 ZINC000177190069 205605874 /nfs/dbraw/zinc/60/58/74/205605874.db2.gz NLLHPRNXSGOUHL-LRDDRELGSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H](C)C2CC2)C(C)C)cc1 ZINC000177190083 205605520 /nfs/dbraw/zinc/60/55/20/205605520.db2.gz NLLHPRNXSGOUHL-BLLLJJGKSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@H](C)C2CC2)C(C)C)cc1 ZINC000177190103 205607225 /nfs/dbraw/zinc/60/72/25/205607225.db2.gz NLLHPRNXSGOUHL-WBMJQRKESA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H](C)C2CC2)C(C)C)cc1 ZINC000177190116 384897046 /nfs/dbraw/zinc/89/70/46/384897046.db2.gz NLLHPRNXSGOUHL-MLGOLLRUSA-N 1 0 247.382 3.780 20 0 BHADRO C[C@H](OCCC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000177190212 177020858 /nfs/dbraw/zinc/02/08/58/177020858.db2.gz LACIVEWIGDNWDK-KBPBESRZSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](OCCC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000177190226 176845177 /nfs/dbraw/zinc/84/51/77/176845177.db2.gz LACIVEWIGDNWDK-UONOGXRCSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)C1CC1 ZINC000177190243 177020812 /nfs/dbraw/zinc/02/08/12/177020812.db2.gz LACIVEWIGDNWDK-KGLIPLIRSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](OCCC[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000177190256 176002175 /nfs/dbraw/zinc/00/21/75/176002175.db2.gz LACIVEWIGDNWDK-ZIAGYGMSSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)CC1 ZINC000177193617 134296337 /nfs/dbraw/zinc/29/63/37/134296337.db2.gz CDIUVDPOBQTBCL-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)CC1 ZINC000177193634 134296171 /nfs/dbraw/zinc/29/61/71/134296171.db2.gz CDIUVDPOBQTBCL-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(F)c(F)c1)C1(C)CC1 ZINC000177214658 134296014 /nfs/dbraw/zinc/29/60/14/134296014.db2.gz OMDLKPQRJSEUTN-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(F)c(F)c1)C1(C)CC1 ZINC000177214675 134296177 /nfs/dbraw/zinc/29/61/77/134296177.db2.gz OMDLKPQRJSEUTN-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@@H](C)C2CC2)cc1 ZINC000177225546 388477169 /nfs/dbraw/zinc/47/71/69/388477169.db2.gz AOLUBPOUTDWXRV-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@H](C)C2CC2)cc1 ZINC000177225560 388477082 /nfs/dbraw/zinc/47/70/82/388477082.db2.gz AOLUBPOUTDWXRV-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@@H](C)C1CC1 ZINC000177228069 169310149 /nfs/dbraw/zinc/31/01/49/169310149.db2.gz QDOZHMGTCPFXMI-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@H](C)C1CC1 ZINC000177228087 169309568 /nfs/dbraw/zinc/30/95/68/169309568.db2.gz QDOZHMGTCPFXMI-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177229764 179269347 /nfs/dbraw/zinc/26/93/47/179269347.db2.gz FZKTUEQBSWKPEZ-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000177229778 179270131 /nfs/dbraw/zinc/27/01/31/179270131.db2.gz FZKTUEQBSWKPEZ-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(F)c1F)C1(C)CC1 ZINC000177251960 134296710 /nfs/dbraw/zinc/29/67/10/134296710.db2.gz RTACNCWPZBHNQS-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(F)c1F)C1(C)CC1 ZINC000177251972 134296592 /nfs/dbraw/zinc/29/65/92/134296592.db2.gz RTACNCWPZBHNQS-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)C1CC1 ZINC000177253082 134296518 /nfs/dbraw/zinc/29/65/18/134296518.db2.gz GGAXNWWNPQONDT-JTQLQIEISA-N 1 0 247.313 3.768 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)C1CC1 ZINC000177253096 134296790 /nfs/dbraw/zinc/29/67/90/134296790.db2.gz GGAXNWWNPQONDT-SNVBAGLBSA-N 1 0 247.313 3.768 20 0 BHADRO C[C@H]([NH2+]CCc1csc2ccccc12)C1CC1 ZINC000177264421 365991229 /nfs/dbraw/zinc/99/12/29/365991229.db2.gz DTMZKALJYOMWSG-NSHDSACASA-N 1 0 245.391 3.832 20 0 BHADRO C[C@@H]([NH2+]CCc1csc2ccccc12)C1CC1 ZINC000177264440 365990936 /nfs/dbraw/zinc/99/09/36/365990936.db2.gz DTMZKALJYOMWSG-LLVKDONJSA-N 1 0 245.391 3.832 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000177268950 365990335 /nfs/dbraw/zinc/99/03/35/365990335.db2.gz TWQRCSREFWTZJA-NWDGAFQWSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000177268962 365990838 /nfs/dbraw/zinc/99/08/38/365990838.db2.gz TWQRCSREFWTZJA-RYUDHWBXSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000177268979 365990220 /nfs/dbraw/zinc/99/02/20/365990220.db2.gz TWQRCSREFWTZJA-VXGBXAGGSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000177268993 365990851 /nfs/dbraw/zinc/99/08/51/365990851.db2.gz TWQRCSREFWTZJA-NEPJUHHUSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000177273879 229494905 /nfs/dbraw/zinc/49/49/05/229494905.db2.gz PJFKSYBJUXKOQK-LBPRGKRZSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000177273895 388479531 /nfs/dbraw/zinc/47/95/31/388479531.db2.gz PJFKSYBJUXKOQK-GFCCVEGCSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000177288101 346594759 /nfs/dbraw/zinc/59/47/59/346594759.db2.gz BJSAQZRBHGOVIK-STQMWFEESA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000177288113 346594917 /nfs/dbraw/zinc/59/49/17/346594917.db2.gz BJSAQZRBHGOVIK-OLZOCXBDSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)C(C)(C)c1ccccc1 ZINC000177288129 346594928 /nfs/dbraw/zinc/59/49/28/346594928.db2.gz BJSAQZRBHGOVIK-QWHCGFSZSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000177288142 346594866 /nfs/dbraw/zinc/59/48/66/346594866.db2.gz BJSAQZRBHGOVIK-CHWSQXEVSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCCC(C)(C)CC1 ZINC000177294618 134299433 /nfs/dbraw/zinc/29/94/33/134299433.db2.gz QEJCNQYXXTYPCS-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCCC(C)(C)CC1 ZINC000177294635 134299297 /nfs/dbraw/zinc/29/92/97/134299297.db2.gz QEJCNQYXXTYPCS-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000177297503 176027850 /nfs/dbraw/zinc/02/78/50/176027850.db2.gz KLWQHPQKVNMCAB-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000177297521 177043419 /nfs/dbraw/zinc/04/34/19/177043419.db2.gz KLWQHPQKVNMCAB-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO CC(C)C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177309522 385219213 /nfs/dbraw/zinc/21/92/13/385219213.db2.gz HWQJMJQSDPWQLO-ZDUSSCGKSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177309539 385219575 /nfs/dbraw/zinc/21/95/75/385219575.db2.gz HWQJMJQSDPWQLO-CYBMUJFWSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)Nc1ccccc1 ZINC000177315299 528464057 /nfs/dbraw/zinc/46/40/57/528464057.db2.gz NLEZZSMPOKFCOJ-XJKSGUPXSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)Nc1ccccc1 ZINC000177315315 388480713 /nfs/dbraw/zinc/48/07/13/388480713.db2.gz NLEZZSMPOKFCOJ-BBRMVZONSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)Nc1ccccc1 ZINC000177315327 388480762 /nfs/dbraw/zinc/48/07/62/388480762.db2.gz NLEZZSMPOKFCOJ-CZUORRHYSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H](C)C1CC1)Nc1ccccc1 ZINC000177315341 388480937 /nfs/dbraw/zinc/48/09/37/388480937.db2.gz NLEZZSMPOKFCOJ-CJNGLKHVSA-N 1 0 246.398 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(F)c(F)c(F)c1 ZINC000177318827 385217989 /nfs/dbraw/zinc/21/79/89/385217989.db2.gz QVIZUOXXXTZBCY-YUMQZZPRSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(F)c(F)c(F)c1 ZINC000177318843 176913997 /nfs/dbraw/zinc/91/39/97/176913997.db2.gz QVIZUOXXXTZBCY-JGVFFNPUSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)C1CC1 ZINC000177318858 385217817 /nfs/dbraw/zinc/21/78/17/385217817.db2.gz QVIZUOXXXTZBCY-SFYZADRCSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(F)c(F)c(F)c1 ZINC000177318873 385218844 /nfs/dbraw/zinc/21/88/44/385218844.db2.gz QVIZUOXXXTZBCY-HTQZYQBOSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CC1 ZINC000177322213 388480648 /nfs/dbraw/zinc/48/06/48/388480648.db2.gz XAHIKYYSSIJUEU-LBPRGKRZSA-N 1 0 247.407 3.699 20 0 BHADRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CC1 ZINC000177322226 388480377 /nfs/dbraw/zinc/48/03/77/388480377.db2.gz XAHIKYYSSIJUEU-GFCCVEGCSA-N 1 0 247.407 3.699 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@@H](C)C1CC1)C1CC1 ZINC000177328752 365993347 /nfs/dbraw/zinc/99/33/47/365993347.db2.gz WQNTUKOOASPZKD-BLLLJJGKSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)C1CC1)C1CC1 ZINC000177328767 365993563 /nfs/dbraw/zinc/99/35/63/365993563.db2.gz WQNTUKOOASPZKD-LRDDRELGSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@H](C)C1CC1)C1CC1 ZINC000177328781 365993568 /nfs/dbraw/zinc/99/35/68/365993568.db2.gz WQNTUKOOASPZKD-MLGOLLRUSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+][C@H](C)C1CC1)C1CC1 ZINC000177328800 365994455 /nfs/dbraw/zinc/99/44/55/365994455.db2.gz WQNTUKOOASPZKD-WBMJQRKESA-N 1 0 229.367 3.834 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)C1CC1 ZINC000177341377 388481997 /nfs/dbraw/zinc/48/19/97/388481997.db2.gz XEIVLMSZOPDJPI-NSHDSACASA-N 1 0 229.323 3.629 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@H](C)C1CC1 ZINC000177341392 388481511 /nfs/dbraw/zinc/48/15/11/388481511.db2.gz XEIVLMSZOPDJPI-LLVKDONJSA-N 1 0 229.323 3.629 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)C1CC1 ZINC000177350680 134300100 /nfs/dbraw/zinc/30/01/00/134300100.db2.gz FJRQOFJMLFYXIZ-LBPRGKRZSA-N 1 0 245.366 3.506 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)C1CC1 ZINC000177350695 134299921 /nfs/dbraw/zinc/29/99/21/134299921.db2.gz FJRQOFJMLFYXIZ-GFCCVEGCSA-N 1 0 245.366 3.506 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000177361003 134297509 /nfs/dbraw/zinc/29/75/09/134297509.db2.gz AQIMCNWSWFICDV-KBPBESRZSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000177361023 134297684 /nfs/dbraw/zinc/29/76/84/134297684.db2.gz AQIMCNWSWFICDV-UONOGXRCSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363740 134297554 /nfs/dbraw/zinc/29/75/54/134297554.db2.gz MMANUDNHNWSYFY-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363756 535807914 /nfs/dbraw/zinc/80/79/14/535807914.db2.gz MMANUDNHNWSYFY-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363777 134297759 /nfs/dbraw/zinc/29/77/59/134297759.db2.gz MMANUDNHNWSYFY-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363793 134297799 /nfs/dbraw/zinc/29/77/99/134297799.db2.gz MMANUDNHNWSYFY-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)C2CC2)cc1 ZINC000177373676 229499717 /nfs/dbraw/zinc/49/97/17/229499717.db2.gz CSLWOERVSLRNJT-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)C2CC2)cc1 ZINC000177373690 388482407 /nfs/dbraw/zinc/48/24/07/388482407.db2.gz CSLWOERVSLRNJT-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)C2CC2)cc1 ZINC000177373705 229500384 /nfs/dbraw/zinc/50/03/84/229500384.db2.gz CSLWOERVSLRNJT-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@H](C)C2CC2)cc1 ZINC000177373722 388482877 /nfs/dbraw/zinc/48/28/77/388482877.db2.gz CSLWOERVSLRNJT-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](COC)c1ccco1 ZINC000177396767 365998646 /nfs/dbraw/zinc/99/86/46/365998646.db2.gz CEQSUZYKJGKGNF-ZDUSSCGKSA-N 1 0 239.359 3.526 20 0 BHADRO CCCC(CCC)[NH2+][C@H](COC)c1ccco1 ZINC000177396783 365999071 /nfs/dbraw/zinc/99/90/71/365999071.db2.gz CEQSUZYKJGKGNF-CYBMUJFWSA-N 1 0 239.359 3.526 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000177396802 538117506 /nfs/dbraw/zinc/11/75/06/538117506.db2.gz IUOQMUIQNKSTKZ-UPJWGTAASA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000177396816 538117530 /nfs/dbraw/zinc/11/75/30/538117530.db2.gz IUOQMUIQNKSTKZ-XQQFMLRXSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000177396831 538117527 /nfs/dbraw/zinc/11/75/27/538117527.db2.gz IUOQMUIQNKSTKZ-AGIUHOORSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000177396847 538117512 /nfs/dbraw/zinc/11/75/12/538117512.db2.gz IUOQMUIQNKSTKZ-AVGNSLFASA-N 1 0 247.382 3.575 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177409262 388482526 /nfs/dbraw/zinc/48/25/26/388482526.db2.gz YOUJGFNCHDTJIW-JTQLQIEISA-N 1 0 238.375 3.811 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177409284 388482720 /nfs/dbraw/zinc/48/27/20/388482720.db2.gz YOUJGFNCHDTJIW-SNVBAGLBSA-N 1 0 238.375 3.811 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCSC(C)(C)C1 ZINC000177510308 134298444 /nfs/dbraw/zinc/29/84/44/134298444.db2.gz RHAJURHAQFZTAT-LBPRGKRZSA-N 1 0 235.396 3.575 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCSC(C)(C)C1 ZINC000177510325 134298668 /nfs/dbraw/zinc/29/86/68/134298668.db2.gz RHAJURHAQFZTAT-GFCCVEGCSA-N 1 0 235.396 3.575 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@@H](C)c1ccccc1 ZINC000177582432 176022881 /nfs/dbraw/zinc/02/28/81/176022881.db2.gz FZFQVCQGGIBJPD-CHWSQXEVSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@H](C)c1ccccc1 ZINC000177582446 385262983 /nfs/dbraw/zinc/26/29/83/385262983.db2.gz FZFQVCQGGIBJPD-QWHCGFSZSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@@H](C)c1ccccc1 ZINC000177582457 385263692 /nfs/dbraw/zinc/26/36/92/385263692.db2.gz FZFQVCQGGIBJPD-OLZOCXBDSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccco1 ZINC000177582467 385262402 /nfs/dbraw/zinc/26/24/02/385262402.db2.gz FZFQVCQGGIBJPD-STQMWFEESA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@@H](C)c1ccccc1 ZINC000177582563 176022747 /nfs/dbraw/zinc/02/27/47/176022747.db2.gz IPAUCDNLKQPAMI-CHWSQXEVSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@H](C)c1ccccc1 ZINC000177582571 385263544 /nfs/dbraw/zinc/26/35/44/385263544.db2.gz IPAUCDNLKQPAMI-QWHCGFSZSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@@H](C)c1ccccc1 ZINC000177582576 385263091 /nfs/dbraw/zinc/26/30/91/385263091.db2.gz IPAUCDNLKQPAMI-OLZOCXBDSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccoc1 ZINC000177582583 385264689 /nfs/dbraw/zinc/26/46/89/385264689.db2.gz IPAUCDNLKQPAMI-STQMWFEESA-N 1 0 229.323 3.561 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177605149 385062822 /nfs/dbraw/zinc/06/28/22/385062822.db2.gz KJNLKVZYINBDMO-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177605163 385061563 /nfs/dbraw/zinc/06/15/63/385061563.db2.gz KJNLKVZYINBDMO-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000177605229 385062767 /nfs/dbraw/zinc/06/27/67/385062767.db2.gz LJGIVOKZIARMSW-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000177605242 385063828 /nfs/dbraw/zinc/06/38/28/385063828.db2.gz LJGIVOKZIARMSW-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177623785 643454156 /nfs/dbraw/zinc/45/41/56/643454156.db2.gz CDOPADLGTDCTRF-UHFFFAOYSA-N 1 0 240.778 3.747 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(Cl)nc1 ZINC000177624923 632851392 /nfs/dbraw/zinc/85/13/92/632851392.db2.gz CXNCNUDKNCCUMG-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177632560 388487799 /nfs/dbraw/zinc/48/77/99/388487799.db2.gz PRGZGENHOLUIRP-NSHDSACASA-N 1 0 238.375 3.765 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177632574 388488157 /nfs/dbraw/zinc/48/81/57/388488157.db2.gz PRGZGENHOLUIRP-LLVKDONJSA-N 1 0 238.375 3.765 20 0 BHADRO C[N@H+](Cc1ccco1)[C@@H]1CCc2ccc(F)cc21 ZINC000177674083 385271296 /nfs/dbraw/zinc/27/12/96/385271296.db2.gz JYXHKBNOMALSDW-OAHLLOKOSA-N 1 0 245.297 3.538 20 0 BHADRO C[N@H+](Cc1ccco1)[C@H]1CCc2ccc(F)cc21 ZINC000177674099 385270939 /nfs/dbraw/zinc/27/09/39/385270939.db2.gz JYXHKBNOMALSDW-HNNXBMFYSA-N 1 0 245.297 3.538 20 0 BHADRO CC(C)C[N@H+](C/C(Cl)=C/Cl)C(C)C ZINC000177704696 632865008 /nfs/dbraw/zinc/86/50/08/632865008.db2.gz NAOJXVLSSKSTTG-YHYXMXQVSA-N 1 0 224.175 3.672 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccccc2OC)CCC1 ZINC000177713104 366022393 /nfs/dbraw/zinc/02/23/93/366022393.db2.gz YRVYBUBMRRULTQ-RMKNXTFCSA-N 1 0 245.366 3.631 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000177721741 385092273 /nfs/dbraw/zinc/09/22/73/385092273.db2.gz VMKLALPYBXWIPA-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000177721757 385092481 /nfs/dbraw/zinc/09/24/81/385092481.db2.gz VMKLALPYBXWIPA-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccsc2)o1 ZINC000177728068 134905425 /nfs/dbraw/zinc/90/54/25/134905425.db2.gz QWBAHINQMXBCCI-LLVKDONJSA-N 1 0 249.379 3.797 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccsc2)o1 ZINC000177728082 134300121 /nfs/dbraw/zinc/30/01/21/134300121.db2.gz QWBAHINQMXBCCI-NSHDSACASA-N 1 0 249.379 3.797 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000177769147 643657453 /nfs/dbraw/zinc/65/74/53/643657453.db2.gz ZKZFIWLRXQWWIP-HLLGUJQBSA-N 1 0 234.170 3.570 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CCC1)c1ccccn1 ZINC000177773832 188342827 /nfs/dbraw/zinc/34/28/27/188342827.db2.gz QRNGVXHTMYZAEF-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CCC1)c1ccccn1 ZINC000177773843 188165585 /nfs/dbraw/zinc/16/55/85/188165585.db2.gz QRNGVXHTMYZAEF-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CCC1 ZINC000177774194 134299922 /nfs/dbraw/zinc/29/99/22/134299922.db2.gz CBHZCLRGSVJEHB-HNNXBMFYSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CCC1 ZINC000177774208 134299757 /nfs/dbraw/zinc/29/97/57/134299757.db2.gz CBHZCLRGSVJEHB-OAHLLOKOSA-N 1 0 245.366 3.598 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cc(F)c(F)c(F)c1 ZINC000177774758 134300009 /nfs/dbraw/zinc/30/00/09/134300009.db2.gz LWDGDEZAIMIEGU-QMMMGPOBSA-N 1 0 243.272 3.555 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cc(F)c(F)c(F)c1 ZINC000177774770 134299786 /nfs/dbraw/zinc/29/97/86/134299786.db2.gz LWDGDEZAIMIEGU-MRVPVSSYSA-N 1 0 243.272 3.555 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000177774898 366064025 /nfs/dbraw/zinc/06/40/25/366064025.db2.gz QJLBGMSWHFEQET-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CC2CCC2)c1 ZINC000177774909 366064442 /nfs/dbraw/zinc/06/44/42/366064442.db2.gz QJLBGMSWHFEQET-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCC1)CCCO2 ZINC000177775182 134299954 /nfs/dbraw/zinc/29/99/54/134299954.db2.gz XRUAJWBEOSZQBL-OAHLLOKOSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)CCCO2 ZINC000177775194 136217038 /nfs/dbraw/zinc/21/70/38/136217038.db2.gz XRUAJWBEOSZQBL-HNNXBMFYSA-N 1 0 245.366 3.598 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000177775631 366064031 /nfs/dbraw/zinc/06/40/31/366064031.db2.gz PYLCCJYLDWBODZ-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000177775645 366063647 /nfs/dbraw/zinc/06/36/47/366063647.db2.gz PYLCCJYLDWBODZ-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CCC2)cc1 ZINC000177775660 366063725 /nfs/dbraw/zinc/06/37/25/366063725.db2.gz PYLCCJYLDWBODZ-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CCC2)cc1 ZINC000177775678 366063914 /nfs/dbraw/zinc/06/39/14/366063914.db2.gz PYLCCJYLDWBODZ-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc2ccccc2n1 ZINC000177776565 385280999 /nfs/dbraw/zinc/28/09/99/385280999.db2.gz QIDVVCDLEOTBNO-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc2ccccc2n1 ZINC000177776577 385280490 /nfs/dbraw/zinc/28/04/90/385280490.db2.gz QIDVVCDLEOTBNO-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000177778020 366064145 /nfs/dbraw/zinc/06/41/45/366064145.db2.gz RCBQKXKISAJKKS-OAHLLOKOSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000177778035 366064097 /nfs/dbraw/zinc/06/40/97/366064097.db2.gz RCBQKXKISAJKKS-HNNXBMFYSA-N 1 0 245.341 3.591 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)o1 ZINC000177779020 388491112 /nfs/dbraw/zinc/49/11/12/388491112.db2.gz LGELOSSVEMISNJ-SNVBAGLBSA-N 1 0 233.355 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)o1 ZINC000177779039 388490926 /nfs/dbraw/zinc/49/09/26/388490926.db2.gz LGELOSSVEMISNJ-JTQLQIEISA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccoc1 ZINC000177789931 366063495 /nfs/dbraw/zinc/06/34/95/366063495.db2.gz XDANTEDDZPQFQL-ZDUSSCGKSA-N 1 0 241.334 3.662 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccoc1 ZINC000177789946 366063683 /nfs/dbraw/zinc/06/36/83/366063683.db2.gz XDANTEDDZPQFQL-CYBMUJFWSA-N 1 0 241.334 3.662 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000177819676 170830297 /nfs/dbraw/zinc/83/02/97/170830297.db2.gz JRDFWNBWXWHCDE-GJZGRUSLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000177819687 171439219 /nfs/dbraw/zinc/43/92/19/171439219.db2.gz JRDFWNBWXWHCDE-LSDHHAIUSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000177819700 385287697 /nfs/dbraw/zinc/28/76/97/385287697.db2.gz JRDFWNBWXWHCDE-CABCVRRESA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000177819712 171440798 /nfs/dbraw/zinc/44/07/98/171440798.db2.gz JRDFWNBWXWHCDE-HUUCEWRRSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1sc(C)nc1C ZINC000177848288 385127228 /nfs/dbraw/zinc/12/72/28/385127228.db2.gz DVXSBBZFSKDPIV-SNVBAGLBSA-N 1 0 240.416 3.628 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1sc(C)nc1C ZINC000177848297 385126116 /nfs/dbraw/zinc/12/61/16/385126116.db2.gz DVXSBBZFSKDPIV-JTQLQIEISA-N 1 0 240.416 3.628 20 0 BHADRO CCc1nc(C[N@@H+](CC)C[C@@H](C)CC)cs1 ZINC000177848731 134303776 /nfs/dbraw/zinc/30/37/76/134303776.db2.gz RPBBTQMEAUITQE-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO CCc1nc(C[N@@H+](CC)C[C@H](C)CC)cs1 ZINC000177848744 134303686 /nfs/dbraw/zinc/30/36/86/134303686.db2.gz RPBBTQMEAUITQE-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852553 385127808 /nfs/dbraw/zinc/12/78/08/385127808.db2.gz HHJRIKRHMSRZRY-JQWIXIFHSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852563 385127395 /nfs/dbraw/zinc/12/73/95/385127395.db2.gz HHJRIKRHMSRZRY-CMPLNLGQSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852575 385127636 /nfs/dbraw/zinc/12/76/36/385127636.db2.gz HHJRIKRHMSRZRY-PWSUYJOCSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852581 385125309 /nfs/dbraw/zinc/12/53/09/385125309.db2.gz HHJRIKRHMSRZRY-ZYHUDNBSSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1nc2ccccc2o1 ZINC000177857081 388492484 /nfs/dbraw/zinc/49/24/84/388492484.db2.gz KOIVNCLLUHUYRU-GFCCVEGCSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1nc2ccccc2o1 ZINC000177857092 388492555 /nfs/dbraw/zinc/49/25/55/388492555.db2.gz KOIVNCLLUHUYRU-LBPRGKRZSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccncc1Cl ZINC000177857356 535509141 /nfs/dbraw/zinc/50/91/41/535509141.db2.gz GQBVGJZRSAWGJW-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccncc1Cl ZINC000177857367 134303214 /nfs/dbraw/zinc/30/32/14/134303214.db2.gz GQBVGJZRSAWGJW-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CCC(CC)[N@@H+](Cc1ccccn1)CC(C)C ZINC000177863056 134303256 /nfs/dbraw/zinc/30/32/56/134303256.db2.gz MNALBAJIHDEGSC-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)CC1CCOCC1 ZINC000177863567 346941720 /nfs/dbraw/zinc/94/17/20/346941720.db2.gz OAXZBSYCFFLNGB-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)[N@H+](CCc1ccccn1)CC(C)C ZINC000177864422 388492009 /nfs/dbraw/zinc/49/20/09/388492009.db2.gz PZIUNGBJQYVXDL-UHFFFAOYSA-N 1 0 248.414 3.771 20 0 BHADRO CCC(CC)[N@@H+](Cc1cc(C)no1)CC(C)C ZINC000177864749 366068834 /nfs/dbraw/zinc/06/88/34/366068834.db2.gz OQAKXGJEIIPPOY-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO CCC(CC)[N@@H+](Cc1cc(C)on1)CC(C)C ZINC000177864847 388492662 /nfs/dbraw/zinc/49/26/62/388492662.db2.gz CGUDNQMHRCKQBO-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO CCC(CC)[N@H+](CCc1ccncc1)CC(C)C ZINC000177864925 366069053 /nfs/dbraw/zinc/06/90/53/366069053.db2.gz GIVQNAJFJPYBFD-UHFFFAOYSA-N 1 0 248.414 3.771 20 0 BHADRO CCC(CC)[N@H+](CCc1cccnc1)CC(C)C ZINC000177865467 388492582 /nfs/dbraw/zinc/49/25/82/388492582.db2.gz FMBVKBVQAKGFMK-UHFFFAOYSA-N 1 0 248.414 3.771 20 0 BHADRO CCC(CC)[N@H+](CCCCOC)CC(C)C ZINC000177866178 388491954 /nfs/dbraw/zinc/49/19/54/388491954.db2.gz KICXNJITJWCTNP-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CCC(CC)[N@@H+](Cc1ncc(C)o1)CC(C)C ZINC000177866207 134303457 /nfs/dbraw/zinc/30/34/57/134303457.db2.gz SKJCVSMQIYXOEG-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)[C@@H]1C ZINC000177891991 134303799 /nfs/dbraw/zinc/30/37/99/134303799.db2.gz ULQIGZZNBLDDKH-GHMZBOCLSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000177892002 134303866 /nfs/dbraw/zinc/30/38/66/134303866.db2.gz ULQIGZZNBLDDKH-WDEREUQCSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)C1CCC1 ZINC000177892254 385136034 /nfs/dbraw/zinc/13/60/34/385136034.db2.gz CYXQEGDPPOZOGX-VIFPVBQESA-N 1 0 243.803 3.722 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)C1CCC1 ZINC000177892259 205625236 /nfs/dbraw/zinc/62/52/36/205625236.db2.gz CYXQEGDPPOZOGX-SECBINFHSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)Cc1cccs1 ZINC000177897018 490678517 /nfs/dbraw/zinc/67/85/17/490678517.db2.gz KBHPPMSUYPOIMD-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)Cc1cccs1 ZINC000177897032 490678738 /nfs/dbraw/zinc/67/87/38/490678738.db2.gz KBHPPMSUYPOIMD-NEPJUHHUSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C1CCC1 ZINC000177897047 490678709 /nfs/dbraw/zinc/67/87/09/490678709.db2.gz KBHPPMSUYPOIMD-NWDGAFQWSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC1)Cc1cccs1 ZINC000177897061 490678429 /nfs/dbraw/zinc/67/84/29/490678429.db2.gz KBHPPMSUYPOIMD-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)C[N@H+](CCc1cccnc1)CC(C)(C)C ZINC000177898915 388524182 /nfs/dbraw/zinc/52/41/82/388524182.db2.gz ACFZODQAGYFBQJ-UHFFFAOYSA-N 1 0 248.414 3.628 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccoc1)Cc1cccs1 ZINC000177900171 388524221 /nfs/dbraw/zinc/52/42/21/388524221.db2.gz HVJVDXPRAVQPOJ-RYUDHWBXSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)Cc1cccs1 ZINC000177900188 388524835 /nfs/dbraw/zinc/52/48/35/388524835.db2.gz HVJVDXPRAVQPOJ-NEPJUHHUSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccoc1 ZINC000177900203 388524234 /nfs/dbraw/zinc/52/42/34/388524234.db2.gz HVJVDXPRAVQPOJ-NWDGAFQWSA-N 1 0 249.379 3.871 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccoc1)Cc1cccs1 ZINC000177900216 388524287 /nfs/dbraw/zinc/52/42/87/388524287.db2.gz HVJVDXPRAVQPOJ-VXGBXAGGSA-N 1 0 249.379 3.871 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000177912285 134301419 /nfs/dbraw/zinc/30/14/19/134301419.db2.gz NAPLHBKIABYOLP-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000177912295 134301488 /nfs/dbraw/zinc/30/14/88/134301488.db2.gz NAPLHBKIABYOLP-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177934634 534925727 /nfs/dbraw/zinc/92/57/27/534925727.db2.gz IJFRYXVHCSCSCM-ZDUSSCGKSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177934649 534955951 /nfs/dbraw/zinc/95/59/51/534955951.db2.gz IJFRYXVHCSCSCM-CYBMUJFWSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177935490 134302124 /nfs/dbraw/zinc/30/21/24/134302124.db2.gz AFQQVAKXURWFQQ-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177935505 535656220 /nfs/dbraw/zinc/65/62/20/535656220.db2.gz AFQQVAKXURWFQQ-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177935519 136274237 /nfs/dbraw/zinc/27/42/37/136274237.db2.gz AFQQVAKXURWFQQ-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000177935533 535658788 /nfs/dbraw/zinc/65/87/88/535658788.db2.gz AFQQVAKXURWFQQ-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H](CCc1cccn1C)[NH2+][C@@H](C)C1CCCC1 ZINC000177956474 388494778 /nfs/dbraw/zinc/49/47/78/388494778.db2.gz AUKRGXNTROJWLF-KBPBESRZSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@@H](C)C1CCCC1 ZINC000177956492 388494656 /nfs/dbraw/zinc/49/46/56/388494656.db2.gz AUKRGXNTROJWLF-KGLIPLIRSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1cccn1C)C1CCCC1 ZINC000177956503 322944822 /nfs/dbraw/zinc/94/48/22/322944822.db2.gz AUKRGXNTROJWLF-UONOGXRCSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@H](C)C1CCCC1 ZINC000177956518 388494645 /nfs/dbraw/zinc/49/46/45/388494645.db2.gz AUKRGXNTROJWLF-ZIAGYGMSSA-N 1 0 248.414 3.515 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000177958931 187818271 /nfs/dbraw/zinc/81/82/71/187818271.db2.gz PINFYGDYHPMYQO-QWHCGFSZSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000177958943 188342675 /nfs/dbraw/zinc/34/26/75/188342675.db2.gz PINFYGDYHPMYQO-STQMWFEESA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000177958955 188165531 /nfs/dbraw/zinc/16/55/31/188165531.db2.gz PINFYGDYHPMYQO-CHWSQXEVSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000177958968 188343131 /nfs/dbraw/zinc/34/31/31/188343131.db2.gz PINFYGDYHPMYQO-OLZOCXBDSA-N 1 0 249.402 3.514 20 0 BHADRO COCCC[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000177980710 388494553 /nfs/dbraw/zinc/49/45/53/388494553.db2.gz JMWOWGQJBUOINM-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000177980722 388494508 /nfs/dbraw/zinc/49/45/08/388494508.db2.gz JMWOWGQJBUOINM-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000177982186 174264654 /nfs/dbraw/zinc/26/46/54/174264654.db2.gz COXWUYAXBHKQEM-LSDHHAIUSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000177982202 174264017 /nfs/dbraw/zinc/26/40/17/174264017.db2.gz COXWUYAXBHKQEM-GJZGRUSLSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000177982212 174261315 /nfs/dbraw/zinc/26/13/15/174261315.db2.gz COXWUYAXBHKQEM-HUUCEWRRSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000177982225 174261446 /nfs/dbraw/zinc/26/14/46/174261446.db2.gz COXWUYAXBHKQEM-CABCVRRESA-N 1 0 249.398 3.769 20 0 BHADRO FCCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000177993001 366075040 /nfs/dbraw/zinc/07/50/40/366075040.db2.gz MJZMBILASLSHIF-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000177993017 346943915 /nfs/dbraw/zinc/94/39/15/346943915.db2.gz MJZMBILASLSHIF-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000177993647 385317028 /nfs/dbraw/zinc/31/70/28/385317028.db2.gz VPUJLRYHSBJCAU-UHFFFAOYSA-N 1 0 248.757 3.728 20 0 BHADRO CC(C)[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000177993691 187307651 /nfs/dbraw/zinc/30/76/51/187307651.db2.gz IGYJSJWSTWZDLM-UHFFFAOYSA-N 1 0 248.757 3.728 20 0 BHADRO CC(C)C[N@H+](Cc1cscn1)CC(C)(C)C ZINC000177994894 366074813 /nfs/dbraw/zinc/07/48/13/366074813.db2.gz NEJBSSQTECGHBP-UHFFFAOYSA-N 1 0 240.416 3.647 20 0 BHADRO CCC[C@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000178008420 385172762 /nfs/dbraw/zinc/17/27/62/385172762.db2.gz FXQBCAKYTXAXGW-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000178008433 385173092 /nfs/dbraw/zinc/17/30/92/385173092.db2.gz FXQBCAKYTXAXGW-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000178014403 632926096 /nfs/dbraw/zinc/92/60/96/632926096.db2.gz QSGVHGRVDOBIFU-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000178014418 632927376 /nfs/dbraw/zinc/92/73/76/632927376.db2.gz QSGVHGRVDOBIFU-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000178014429 632926744 /nfs/dbraw/zinc/92/67/44/632926744.db2.gz QSGVHGRVDOBIFU-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000178014442 632926531 /nfs/dbraw/zinc/92/65/31/632926531.db2.gz QSGVHGRVDOBIFU-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO C[C@H]([NH2+]Cc1nccc2ccccc21)C1CCC1 ZINC000178014581 134302734 /nfs/dbraw/zinc/30/27/34/134302734.db2.gz JCDVHWYJPQCGRO-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1nccc2ccccc21)C1CCC1 ZINC000178014592 134302724 /nfs/dbraw/zinc/30/27/24/134302724.db2.gz JCDVHWYJPQCGRO-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]Cc1nccc2ccccc21)C(C)C ZINC000178014865 632926551 /nfs/dbraw/zinc/92/65/51/632926551.db2.gz MFBDDTUNTDXSJS-HNNXBMFYSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H]([NH2+]Cc1nccc2ccccc21)C(C)C ZINC000178014877 632927646 /nfs/dbraw/zinc/92/76/46/632927646.db2.gz MFBDDTUNTDXSJS-OAHLLOKOSA-N 1 0 242.366 3.759 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000178041266 385174612 /nfs/dbraw/zinc/17/46/12/385174612.db2.gz SQPWIVDQZLJGFB-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000178041277 205627468 /nfs/dbraw/zinc/62/74/68/205627468.db2.gz SQPWIVDQZLJGFB-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000178041286 205629024 /nfs/dbraw/zinc/62/90/24/205629024.db2.gz SQPWIVDQZLJGFB-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000178041295 205627449 /nfs/dbraw/zinc/62/74/49/205627449.db2.gz SQPWIVDQZLJGFB-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1nc(-c2ccccc2)cs1 ZINC000178046703 134302497 /nfs/dbraw/zinc/30/24/97/134302497.db2.gz OELPNIFEDBSHIE-JTQLQIEISA-N 1 0 244.363 3.623 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1nc(-c2ccccc2)cs1 ZINC000178046719 134302609 /nfs/dbraw/zinc/30/26/09/134302609.db2.gz OELPNIFEDBSHIE-SNVBAGLBSA-N 1 0 244.363 3.623 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(F)c1)C1CCC1 ZINC000178047148 388495208 /nfs/dbraw/zinc/49/52/08/388495208.db2.gz PDAJCWXMDZWHSY-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(F)c1)C1CCC1 ZINC000178047157 388495150 /nfs/dbraw/zinc/49/51/50/388495150.db2.gz PDAJCWXMDZWHSY-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccoc1 ZINC000178048291 366080440 /nfs/dbraw/zinc/08/04/40/366080440.db2.gz GZQNSBPAJFTUME-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccoc1 ZINC000178048299 366080906 /nfs/dbraw/zinc/08/09/06/366080906.db2.gz GZQNSBPAJFTUME-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178069609 187649925 /nfs/dbraw/zinc/64/99/25/187649925.db2.gz SOLFOWZQIRGZNR-LBPRGKRZSA-N 1 0 228.339 3.541 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178069621 167013445 /nfs/dbraw/zinc/01/34/45/167013445.db2.gz SOLFOWZQIRGZNR-GFCCVEGCSA-N 1 0 228.339 3.541 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178073045 385330508 /nfs/dbraw/zinc/33/05/08/385330508.db2.gz ZTXFGYGVGYFHFZ-LBPRGKRZSA-N 1 0 228.339 3.686 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178073060 385329073 /nfs/dbraw/zinc/32/90/73/385329073.db2.gz ZTXFGYGVGYFHFZ-GFCCVEGCSA-N 1 0 228.339 3.686 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccoc1 ZINC000178077076 366085229 /nfs/dbraw/zinc/08/52/29/366085229.db2.gz JMJQWGUIIIGWFB-JSGCOSHPSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccoc1 ZINC000178077088 366085342 /nfs/dbraw/zinc/08/53/42/366085342.db2.gz JMJQWGUIIIGWFB-OCCSQVGLSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccoc1 ZINC000178077105 366085963 /nfs/dbraw/zinc/08/59/63/366085963.db2.gz JMJQWGUIIIGWFB-GXTWGEPZSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccoc1 ZINC000178077117 366087333 /nfs/dbraw/zinc/08/73/33/366087333.db2.gz JMJQWGUIIIGWFB-TZMCWYRMSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc2ccccc2n1 ZINC000178089221 385332279 /nfs/dbraw/zinc/33/22/79/385332279.db2.gz DEFQBNAONSXKTM-LBPRGKRZSA-N 1 0 240.350 3.828 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc2ccccc2n1 ZINC000178089235 385332659 /nfs/dbraw/zinc/33/26/59/385332659.db2.gz DEFQBNAONSXKTM-GFCCVEGCSA-N 1 0 240.350 3.828 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccoc1 ZINC000178090194 366088108 /nfs/dbraw/zinc/08/81/08/366088108.db2.gz GPNHHNPZJVJAQC-ZUZCIYMTSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccoc1 ZINC000178090206 366088413 /nfs/dbraw/zinc/08/84/13/366088413.db2.gz GPNHHNPZJVJAQC-MEBBXXQBSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccoc1 ZINC000178090217 366088015 /nfs/dbraw/zinc/08/80/15/366088015.db2.gz GPNHHNPZJVJAQC-BONVTDFDSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccoc1 ZINC000178090225 366088221 /nfs/dbraw/zinc/08/82/21/366088221.db2.gz GPNHHNPZJVJAQC-BMIGLBTASA-N 1 0 245.297 3.757 20 0 BHADRO COCCC[C@H](C)[NH2+]C1CCCCCCC1 ZINC000178091012 632939396 /nfs/dbraw/zinc/93/93/96/632939396.db2.gz HTQRGYAORPHXCB-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO COCCC[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000178091024 632939846 /nfs/dbraw/zinc/93/98/46/632939846.db2.gz HTQRGYAORPHXCB-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CSC(C)(C)C ZINC000178092067 632941185 /nfs/dbraw/zinc/94/11/85/632941185.db2.gz TZXGGFGCIGAAMB-JTQLQIEISA-N 1 0 217.422 3.685 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CSC(C)(C)C ZINC000178092076 632939159 /nfs/dbraw/zinc/93/91/59/632939159.db2.gz TZXGGFGCIGAAMB-SNVBAGLBSA-N 1 0 217.422 3.685 20 0 BHADRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)C(C)(C)C ZINC000178093621 388496349 /nfs/dbraw/zinc/49/63/49/388496349.db2.gz UULRUCLSXKOKHZ-LBPRGKRZSA-N 1 0 244.382 3.735 20 0 BHADRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)C(C)(C)C ZINC000178093637 388496012 /nfs/dbraw/zinc/49/60/12/388496012.db2.gz UULRUCLSXKOKHZ-GFCCVEGCSA-N 1 0 244.382 3.735 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cs1 ZINC000178097621 206006768 /nfs/dbraw/zinc/00/67/68/206006768.db2.gz ICGXESZNDNTNCZ-VHSXEESVSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H](C)C2CCC2)cs1 ZINC000178097632 385180443 /nfs/dbraw/zinc/18/04/43/385180443.db2.gz ICGXESZNDNTNCZ-UWVGGRQHSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@H](C)C2CCC2)cs1 ZINC000178097641 385181253 /nfs/dbraw/zinc/18/12/53/385181253.db2.gz ICGXESZNDNTNCZ-NXEZZACHSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H](C)C2CCC2)cs1 ZINC000178097651 385181755 /nfs/dbraw/zinc/18/17/55/385181755.db2.gz ICGXESZNDNTNCZ-ZJUUUORDSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178111051 388496470 /nfs/dbraw/zinc/49/64/70/388496470.db2.gz NOFVSJFWUMNXKB-ZDUSSCGKSA-N 1 0 242.366 3.932 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178111063 388495972 /nfs/dbraw/zinc/49/59/72/388495972.db2.gz NOFVSJFWUMNXKB-CYBMUJFWSA-N 1 0 242.366 3.932 20 0 BHADRO CCC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccccc1 ZINC000178113860 385183347 /nfs/dbraw/zinc/18/33/47/385183347.db2.gz KBETZSFVMXUQQF-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccccc1 ZINC000178113872 385184850 /nfs/dbraw/zinc/18/48/50/385184850.db2.gz KBETZSFVMXUQQF-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 ZINC000178113880 205626915 /nfs/dbraw/zinc/62/69/15/205626915.db2.gz KBETZSFVMXUQQF-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 ZINC000178113887 385183113 /nfs/dbraw/zinc/18/31/13/385183113.db2.gz KBETZSFVMXUQQF-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178116261 167133218 /nfs/dbraw/zinc/13/32/18/167133218.db2.gz SKCRPALGMGDNRU-MNOVXSKESA-N 1 0 248.395 3.786 20 0 BHADRO CC(C)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178116269 167138447 /nfs/dbraw/zinc/13/84/47/167138447.db2.gz SKCRPALGMGDNRU-GHMZBOCLSA-N 1 0 248.395 3.786 20 0 BHADRO CC(C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000178116277 167133034 /nfs/dbraw/zinc/13/30/34/167133034.db2.gz SKCRPALGMGDNRU-QWRGUYRKSA-N 1 0 248.395 3.786 20 0 BHADRO CC(C)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000178116290 167139026 /nfs/dbraw/zinc/13/90/26/167139026.db2.gz SKCRPALGMGDNRU-WDEREUQCSA-N 1 0 248.395 3.786 20 0 BHADRO CC1(C)C[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000178117343 346946759 /nfs/dbraw/zinc/94/67/59/346946759.db2.gz HPSZBMRCBRKQLL-HNNXBMFYSA-N 1 0 241.334 3.792 20 0 BHADRO CC1(C)C[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000178117353 346946646 /nfs/dbraw/zinc/94/66/46/346946646.db2.gz HPSZBMRCBRKQLL-OAHLLOKOSA-N 1 0 241.334 3.792 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178120473 366098452 /nfs/dbraw/zinc/09/84/52/366098452.db2.gz JHFZHVYBTNEFCO-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178120494 366098006 /nfs/dbraw/zinc/09/80/06/366098006.db2.gz JHFZHVYBTNEFCO-CWRNSKLLSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178122229 170756130 /nfs/dbraw/zinc/75/61/30/170756130.db2.gz VGSBYLKMRGPOJY-NEPJUHHUSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178122241 171346220 /nfs/dbraw/zinc/34/62/20/171346220.db2.gz VGSBYLKMRGPOJY-RYUDHWBXSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178122250 385337386 /nfs/dbraw/zinc/33/73/86/385337386.db2.gz VGSBYLKMRGPOJY-VXGBXAGGSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178122259 171348241 /nfs/dbraw/zinc/34/82/41/171348241.db2.gz VGSBYLKMRGPOJY-NWDGAFQWSA-N 1 0 228.339 3.684 20 0 BHADRO COCCC[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000178122569 229524826 /nfs/dbraw/zinc/52/48/26/229524826.db2.gz CBXXWCZASBUZJC-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC[C@@H](C)[NH2+]CCCCC1CCCC1 ZINC000178122581 229524505 /nfs/dbraw/zinc/52/45/05/229524505.db2.gz CBXXWCZASBUZJC-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)cn1 ZINC000178135165 535066274 /nfs/dbraw/zinc/06/62/74/535066274.db2.gz BHFUPNSFKCDCGS-QWHCGFSZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C2CCCC2)cn1 ZINC000178135178 134306655 /nfs/dbraw/zinc/30/66/55/134306655.db2.gz BHFUPNSFKCDCGS-STQMWFEESA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C2CCCC2)cn1 ZINC000178135190 535064896 /nfs/dbraw/zinc/06/48/96/535064896.db2.gz BHFUPNSFKCDCGS-CHWSQXEVSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C2CCCC2)cn1 ZINC000178135200 134306532 /nfs/dbraw/zinc/30/65/32/134306532.db2.gz BHFUPNSFKCDCGS-OLZOCXBDSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccoc1 ZINC000178142992 344649284 /nfs/dbraw/zinc/64/92/84/344649284.db2.gz DHYRKKGIKJNUGK-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccoc1 ZINC000178143002 366099664 /nfs/dbraw/zinc/09/96/64/366099664.db2.gz DHYRKKGIKJNUGK-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CCC1 ZINC000178154805 388496672 /nfs/dbraw/zinc/49/66/72/388496672.db2.gz VKGHDFNNHIVITD-LBPRGKRZSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CCC1 ZINC000178154819 388496330 /nfs/dbraw/zinc/49/63/30/388496330.db2.gz VKGHDFNNHIVITD-GFCCVEGCSA-N 1 0 247.357 3.636 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CCO)c1ccccc1 ZINC000178161234 385340365 /nfs/dbraw/zinc/34/03/65/385340365.db2.gz RLEVTBMZGOAIJQ-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CCO)c1ccccc1 ZINC000178161245 169399359 /nfs/dbraw/zinc/39/93/59/169399359.db2.gz RLEVTBMZGOAIJQ-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO COCCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000178170452 366102098 /nfs/dbraw/zinc/10/20/98/366102098.db2.gz RJYRTOMRTWJRHP-HNNXBMFYSA-N 1 0 249.398 3.517 20 0 BHADRO COCCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000178170467 366101803 /nfs/dbraw/zinc/10/18/03/366101803.db2.gz RJYRTOMRTWJRHP-OAHLLOKOSA-N 1 0 249.398 3.517 20 0 BHADRO CC1(C)C[C@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000178172469 346948894 /nfs/dbraw/zinc/94/88/94/346948894.db2.gz MGVMCSGFNQZOHW-HNNXBMFYSA-N 1 0 240.350 3.527 20 0 BHADRO CC1(C)C[C@@H]([NH2+]Cc2cc[nH]c2)c2ccccc21 ZINC000178172480 346948725 /nfs/dbraw/zinc/94/87/25/346948725.db2.gz MGVMCSGFNQZOHW-OAHLLOKOSA-N 1 0 240.350 3.527 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCOC)c1ccc(C)cc1 ZINC000178172947 134304608 /nfs/dbraw/zinc/30/46/08/134304608.db2.gz BMNIXWKVODXYJR-HOCLYGCPSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCOC)c1ccc(C)cc1 ZINC000178172961 535808043 /nfs/dbraw/zinc/80/80/43/535808043.db2.gz BMNIXWKVODXYJR-GOEBONIOSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCOC)c1ccc(C)cc1 ZINC000178172971 134304650 /nfs/dbraw/zinc/30/46/50/134304650.db2.gz BMNIXWKVODXYJR-ZBFHGGJFSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCOC)c1ccc(C)cc1 ZINC000178172982 134304460 /nfs/dbraw/zinc/30/44/60/134304460.db2.gz BMNIXWKVODXYJR-GDBMZVCRSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccs1 ZINC000178176518 385203617 /nfs/dbraw/zinc/20/36/17/385203617.db2.gz RJMUHLJOSNPKME-RYUDHWBXSA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccs1 ZINC000178176530 205630638 /nfs/dbraw/zinc/63/06/38/205630638.db2.gz RJMUHLJOSNPKME-NWDGAFQWSA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cccs1 ZINC000178176541 385203765 /nfs/dbraw/zinc/20/37/65/385203765.db2.gz RJMUHLJOSNPKME-NEPJUHHUSA-N 1 0 241.400 3.604 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1cccs1 ZINC000178176554 205631092 /nfs/dbraw/zinc/63/10/92/205631092.db2.gz RJMUHLJOSNPKME-VXGBXAGGSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000178188972 385197982 /nfs/dbraw/zinc/19/79/82/385197982.db2.gz VAOSLUQIFSNFLN-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000178188982 385198556 /nfs/dbraw/zinc/19/85/56/385198556.db2.gz VAOSLUQIFSNFLN-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCOC(C)C)c1C ZINC000178191510 346948839 /nfs/dbraw/zinc/94/88/39/346948839.db2.gz UAFTUEOFIAXENQ-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCOC(C)C)c1C ZINC000178191522 366103691 /nfs/dbraw/zinc/10/36/91/366103691.db2.gz UAFTUEOFIAXENQ-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccoc2)c(C)c1 ZINC000178222292 366106250 /nfs/dbraw/zinc/10/62/50/366106250.db2.gz MMGCOTAXGLQROA-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccoc2)c(C)c1 ZINC000178222306 366106704 /nfs/dbraw/zinc/10/67/04/366106704.db2.gz MMGCOTAXGLQROA-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000178246334 174263631 /nfs/dbraw/zinc/26/36/31/174263631.db2.gz SQDNVFMWWYOEFR-ZNMIVQPWSA-N 1 0 249.398 3.583 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000178246346 174261440 /nfs/dbraw/zinc/26/14/40/174261440.db2.gz SQDNVFMWWYOEFR-KFWWJZLASA-N 1 0 249.398 3.583 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000178246360 174264845 /nfs/dbraw/zinc/26/48/45/174264845.db2.gz SQDNVFMWWYOEFR-RRFJBIMHSA-N 1 0 249.398 3.583 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000178246371 174261893 /nfs/dbraw/zinc/26/18/93/174261893.db2.gz SQDNVFMWWYOEFR-RBSFLKMASA-N 1 0 249.398 3.583 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)C1CCC1 ZINC000178246432 346663384 /nfs/dbraw/zinc/66/33/84/346663384.db2.gz JATFJLBLFXVETP-NSHDSACASA-N 1 0 237.412 3.804 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)C1CCC1 ZINC000178246453 346663696 /nfs/dbraw/zinc/66/36/96/346663696.db2.gz JATFJLBLFXVETP-LLVKDONJSA-N 1 0 237.412 3.804 20 0 BHADRO CCc1oc2ccccc2c1C[N@H+](C)CCCF ZINC000178247009 134305260 /nfs/dbraw/zinc/30/52/60/134305260.db2.gz XXTXDJGGJUUDFR-UHFFFAOYSA-N 1 0 249.329 3.787 20 0 BHADRO CC[N@H+](CCCF)Cc1ccc(Cl)s1 ZINC000178256679 134305174 /nfs/dbraw/zinc/30/51/74/134305174.db2.gz UZOPBWIQGXTZJF-UHFFFAOYSA-N 1 0 235.755 3.583 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccoc1 ZINC000178262389 366109487 /nfs/dbraw/zinc/10/94/87/366109487.db2.gz JLTASCVGBKESAI-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccoc1 ZINC000178262406 346950760 /nfs/dbraw/zinc/95/07/60/346950760.db2.gz JLTASCVGBKESAI-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000178267579 388497086 /nfs/dbraw/zinc/49/70/86/388497086.db2.gz ZQMRKIAPBADRGP-ZDUSSCGKSA-N 1 0 241.737 3.837 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000178267591 388497468 /nfs/dbraw/zinc/49/74/68/388497468.db2.gz ZQMRKIAPBADRGP-CYBMUJFWSA-N 1 0 241.737 3.837 20 0 BHADRO CC[C@@H](C)[N@H+](CCCF)Cc1ccccc1 ZINC000178280100 388497460 /nfs/dbraw/zinc/49/74/60/388497460.db2.gz LAQCVEDJCCNAOB-CYBMUJFWSA-N 1 0 223.335 3.647 20 0 BHADRO CC[C@H](C)[N@H+](CCCF)Cc1ccccc1 ZINC000178280114 388497522 /nfs/dbraw/zinc/49/75/22/388497522.db2.gz LAQCVEDJCCNAOB-ZDUSSCGKSA-N 1 0 223.335 3.647 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000178281967 388498259 /nfs/dbraw/zinc/49/82/59/388498259.db2.gz SEJLMWRBACWALD-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000178281977 388498254 /nfs/dbraw/zinc/49/82/54/388498254.db2.gz SEJLMWRBACWALD-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000178281987 388498439 /nfs/dbraw/zinc/49/84/39/388498439.db2.gz SEJLMWRBACWALD-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000178281999 388498398 /nfs/dbraw/zinc/49/83/98/388498398.db2.gz SEJLMWRBACWALD-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178282204 256599011 /nfs/dbraw/zinc/59/90/11/256599011.db2.gz MJRBIHBYHIYZDF-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178282230 397799857 /nfs/dbraw/zinc/79/98/57/397799857.db2.gz MJRBIHBYHIYZDF-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)CCCF)cc1 ZINC000178287331 388498280 /nfs/dbraw/zinc/49/82/80/388498280.db2.gz AYMSCFAJHCLCQR-UHFFFAOYSA-N 1 0 223.335 3.601 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C1CCC1)C(C)C ZINC000178293188 229524941 /nfs/dbraw/zinc/52/49/41/229524941.db2.gz LMEBKJWXRNGMDA-DZGCQCFKSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C1CCC1)C(C)C ZINC000178293198 388498332 /nfs/dbraw/zinc/49/83/32/388498332.db2.gz LMEBKJWXRNGMDA-ZFWWWQNUSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C1CCC1)C(C)C ZINC000178293210 388498363 /nfs/dbraw/zinc/49/83/63/388498363.db2.gz LMEBKJWXRNGMDA-UKRRQHHQSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C1CCC1)C(C)C ZINC000178293224 229527067 /nfs/dbraw/zinc/52/70/67/229527067.db2.gz LMEBKJWXRNGMDA-HIFRSBDPSA-N 1 0 246.398 3.865 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000178295281 134305889 /nfs/dbraw/zinc/30/58/89/134305889.db2.gz RSEWWJHXFDUAOZ-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000178295293 134305859 /nfs/dbraw/zinc/30/58/59/134305859.db2.gz RSEWWJHXFDUAOZ-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000178295300 134306235 /nfs/dbraw/zinc/30/62/35/134306235.db2.gz RSEWWJHXFDUAOZ-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000178295311 134306107 /nfs/dbraw/zinc/30/61/07/134306107.db2.gz RSEWWJHXFDUAOZ-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO C[N@H+](CCCF)Cc1cccc2ccccc21 ZINC000178307124 134306066 /nfs/dbraw/zinc/30/60/66/134306066.db2.gz SKLYEJZNEFYNNP-UHFFFAOYSA-N 1 0 231.314 3.631 20 0 BHADRO FCCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000178308133 388498502 /nfs/dbraw/zinc/49/85/02/388498502.db2.gz QMTGSOXXUJCEKA-HNNXBMFYSA-N 1 0 235.346 3.963 20 0 BHADRO FCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000178308150 388498218 /nfs/dbraw/zinc/49/82/18/388498218.db2.gz QMTGSOXXUJCEKA-OAHLLOKOSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CCC1 ZINC000178315428 134308377 /nfs/dbraw/zinc/30/83/77/134308377.db2.gz DHNOPTRICQJWKB-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CCC1 ZINC000178315441 134308580 /nfs/dbraw/zinc/30/85/80/134308580.db2.gz DHNOPTRICQJWKB-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)C1CCC1 ZINC000178315453 134308387 /nfs/dbraw/zinc/30/83/87/134308387.db2.gz DHNOPTRICQJWKB-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)C1CCC1 ZINC000178315470 134308532 /nfs/dbraw/zinc/30/85/32/134308532.db2.gz DHNOPTRICQJWKB-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO CCOC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000178326149 538952879 /nfs/dbraw/zinc/95/28/79/538952879.db2.gz PXXJFFAFVDAJHB-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO CCOC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000178326164 538952897 /nfs/dbraw/zinc/95/28/97/538952897.db2.gz PXXJFFAFVDAJHB-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CC1)C1CCCC1 ZINC000178334740 366115101 /nfs/dbraw/zinc/11/51/01/366115101.db2.gz ACWQNFSWDLGCLS-UHFFFAOYSA-N 1 0 235.293 3.593 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000178338398 174264854 /nfs/dbraw/zinc/26/48/54/174264854.db2.gz JZQHPZBWIVDPNO-DZGCQCFKSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178338412 174263839 /nfs/dbraw/zinc/26/38/39/174263839.db2.gz JZQHPZBWIVDPNO-ZFWWWQNUSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000178338425 174261913 /nfs/dbraw/zinc/26/19/13/174261913.db2.gz JZQHPZBWIVDPNO-UKRRQHHQSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178338440 174261884 /nfs/dbraw/zinc/26/18/84/174261884.db2.gz JZQHPZBWIVDPNO-HIFRSBDPSA-N 1 0 249.398 3.769 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H](C)C1CCC1)c1cccnc1 ZINC000178347677 167398322 /nfs/dbraw/zinc/39/83/22/167398322.db2.gz ZLURAQAJJZYLHH-XJKSGUPXSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C1CCC1)c1cccnc1 ZINC000178347688 346953348 /nfs/dbraw/zinc/95/33/48/346953348.db2.gz ZLURAQAJJZYLHH-BBRMVZONSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H](C)C1CCC1)c1cccnc1 ZINC000178347701 167399931 /nfs/dbraw/zinc/39/99/31/167399931.db2.gz ZLURAQAJJZYLHH-CZUORRHYSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H](C)C1CCC1)c1cccnc1 ZINC000178347716 385357471 /nfs/dbraw/zinc/35/74/71/385357471.db2.gz ZLURAQAJJZYLHH-CJNGLKHVSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H](C)C1CC1)c1ccccn1 ZINC000178362541 187818453 /nfs/dbraw/zinc/81/84/53/187818453.db2.gz OPSLYMYABKFABF-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccn1 ZINC000178362555 385360791 /nfs/dbraw/zinc/36/07/91/385360791.db2.gz OPSLYMYABKFABF-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H](C)C1CC1)c1ccccn1 ZINC000178362568 385361396 /nfs/dbraw/zinc/36/13/96/385361396.db2.gz OPSLYMYABKFABF-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H](C)C1CC1)c1ccccn1 ZINC000178362581 188166462 /nfs/dbraw/zinc/16/64/62/188166462.db2.gz OPSLYMYABKFABF-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2n1 ZINC000178367861 134309186 /nfs/dbraw/zinc/30/91/86/134309186.db2.gz QPIXGIJPQYJEPF-RYUDHWBXSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2n1 ZINC000178367875 134309267 /nfs/dbraw/zinc/30/92/67/134309267.db2.gz QPIXGIJPQYJEPF-NWDGAFQWSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)C1CC1 ZINC000178367884 385361009 /nfs/dbraw/zinc/36/10/09/385361009.db2.gz QPIXGIJPQYJEPF-NEPJUHHUSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2ccccc2n1 ZINC000178367899 385360720 /nfs/dbraw/zinc/36/07/20/385360720.db2.gz QPIXGIJPQYJEPF-VXGBXAGGSA-N 1 0 240.350 3.684 20 0 BHADRO CC[N@H+](CC=C(C)C)[C@@H](C)c1cccc(O)c1 ZINC000178372753 366117457 /nfs/dbraw/zinc/11/74/57/366117457.db2.gz KZOUGAZQPHDPQG-ZDUSSCGKSA-N 1 0 233.355 3.741 20 0 BHADRO CC[N@H+](CC=C(C)C)[C@H](C)c1cccc(O)c1 ZINC000178372769 366118170 /nfs/dbraw/zinc/11/81/70/366118170.db2.gz KZOUGAZQPHDPQG-CYBMUJFWSA-N 1 0 233.355 3.741 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@@H](C)c1cccc(O)c1 ZINC000178372837 385360778 /nfs/dbraw/zinc/36/07/78/385360778.db2.gz HZZPMCIRVYYZJV-BWNDKRECSA-N 1 0 239.746 3.528 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@H](C)c1cccc(O)c1 ZINC000178372859 385360374 /nfs/dbraw/zinc/36/03/74/385360374.db2.gz HZZPMCIRVYYZJV-AYLMVEPYSA-N 1 0 239.746 3.528 20 0 BHADRO CC[N@H+]([C@@H](C)c1cccc(O)c1)[C@H]1C=CCCC1 ZINC000178374643 388499675 /nfs/dbraw/zinc/49/96/75/388499675.db2.gz DKHQSVWXJSWNGL-ZFWWWQNUSA-N 1 0 245.366 3.884 20 0 BHADRO CC[N@H+]([C@@H](C)c1cccc(O)c1)[C@@H]1C=CCCC1 ZINC000178374657 388499919 /nfs/dbraw/zinc/49/99/19/388499919.db2.gz DKHQSVWXJSWNGL-DZGCQCFKSA-N 1 0 245.366 3.884 20 0 BHADRO CC[N@H+](CC1CCC1)[C@@H](C)c1cccc(O)c1 ZINC000178380423 388499883 /nfs/dbraw/zinc/49/98/83/388499883.db2.gz RMTKVMUABRIXMH-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO CC[N@H+](CC1CCC1)[C@H](C)c1cccc(O)c1 ZINC000178380445 388499473 /nfs/dbraw/zinc/49/94/73/388499473.db2.gz RMTKVMUABRIXMH-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO COCCC[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000178413560 634498722 /nfs/dbraw/zinc/49/87/22/634498722.db2.gz QPKYQABRBCEHKU-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC1CCCCCCC1 ZINC000178413568 631555615 /nfs/dbraw/zinc/55/56/15/631555615.db2.gz QPKYQABRBCEHKU-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccccc1 ZINC000178430216 385263129 /nfs/dbraw/zinc/26/31/29/385263129.db2.gz MYMUZLSOHHSWHM-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccccc1 ZINC000178430230 205636152 /nfs/dbraw/zinc/63/61/52/205636152.db2.gz MYMUZLSOHHSWHM-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccccc1 ZINC000178430246 385261174 /nfs/dbraw/zinc/26/11/74/385261174.db2.gz MYMUZLSOHHSWHM-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccccc1 ZINC000178430257 385261692 /nfs/dbraw/zinc/26/16/92/385261692.db2.gz MYMUZLSOHHSWHM-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+]CCCOCc1ccccc1)C(C)(C)C ZINC000178436697 346685353 /nfs/dbraw/zinc/68/53/53/346685353.db2.gz CQKUPFQQJPBDQR-CQSZACIVSA-N 1 0 249.398 3.618 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1ccoc1)c1ccccn1 ZINC000178442324 188166563 /nfs/dbraw/zinc/16/65/63/188166563.db2.gz JETNWUVOWKHVSS-HNNXBMFYSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1ccoc1)c1ccccn1 ZINC000178442336 385374554 /nfs/dbraw/zinc/37/45/54/385374554.db2.gz JETNWUVOWKHVSS-OAHLLOKOSA-N 1 0 244.338 3.552 20 0 BHADRO COCCC[C@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000178442953 536665481 /nfs/dbraw/zinc/66/54/81/536665481.db2.gz MDPGIRRODXLBRH-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000178442963 134306812 /nfs/dbraw/zinc/30/68/12/134306812.db2.gz MDPGIRRODXLBRH-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccccc1C1CC[NH+](CCCF)CC1 ZINC000178448055 366126285 /nfs/dbraw/zinc/12/62/85/366126285.db2.gz NNOOASRSUYGETG-UHFFFAOYSA-N 1 0 235.346 3.534 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000178459067 366125784 /nfs/dbraw/zinc/12/57/84/366125784.db2.gz SXHIUWPPJXEAJI-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000178459078 366125616 /nfs/dbraw/zinc/12/56/16/366125616.db2.gz SXHIUWPPJXEAJI-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000178459085 366126006 /nfs/dbraw/zinc/12/60/06/366126006.db2.gz SXHIUWPPJXEAJI-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000178459097 366126050 /nfs/dbraw/zinc/12/60/50/366126050.db2.gz SXHIUWPPJXEAJI-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1F ZINC000178463991 366127616 /nfs/dbraw/zinc/12/76/16/366127616.db2.gz OGZVUSBPJCKTSQ-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1F ZINC000178464002 366126861 /nfs/dbraw/zinc/12/68/61/366126861.db2.gz OGZVUSBPJCKTSQ-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CCC1 ZINC000178468430 385286623 /nfs/dbraw/zinc/28/66/23/385286623.db2.gz RMHQJFQOZULGBO-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CCC1 ZINC000178468437 205635307 /nfs/dbraw/zinc/63/53/07/205635307.db2.gz RMHQJFQOZULGBO-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CCC1 ZINC000178468444 385285686 /nfs/dbraw/zinc/28/56/86/385285686.db2.gz RMHQJFQOZULGBO-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1CCC1 ZINC000178468451 385286269 /nfs/dbraw/zinc/28/62/69/385286269.db2.gz RMHQJFQOZULGBO-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccoc1 ZINC000178469071 366128497 /nfs/dbraw/zinc/12/84/97/366128497.db2.gz PREOZZIFKKJZKW-RYUDHWBXSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccoc1 ZINC000178469082 366128692 /nfs/dbraw/zinc/12/86/92/366128692.db2.gz PREOZZIFKKJZKW-NEPJUHHUSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccoc1 ZINC000178469088 366128723 /nfs/dbraw/zinc/12/87/23/366128723.db2.gz PREOZZIFKKJZKW-NWDGAFQWSA-N 1 0 247.313 3.701 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccoc1 ZINC000178469098 366129425 /nfs/dbraw/zinc/12/94/25/366129425.db2.gz PREOZZIFKKJZKW-VXGBXAGGSA-N 1 0 247.313 3.701 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000178474265 533818040 /nfs/dbraw/zinc/81/80/40/533818040.db2.gz GKXRNGBRADQVND-CQSZACIVSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000178474280 388500741 /nfs/dbraw/zinc/50/07/41/388500741.db2.gz GKXRNGBRADQVND-AWEZNQCLSA-N 1 0 243.350 3.699 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccoc2)C1 ZINC000178475179 385378813 /nfs/dbraw/zinc/37/88/13/385378813.db2.gz UIXIPTFNOSUCHZ-CYBMUJFWSA-N 1 0 245.322 3.676 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000178475191 385379481 /nfs/dbraw/zinc/37/94/81/385379481.db2.gz UIXIPTFNOSUCHZ-ZDUSSCGKSA-N 1 0 245.322 3.676 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccoc1 ZINC000178475531 388500833 /nfs/dbraw/zinc/50/08/33/388500833.db2.gz VJGPFROMXQSTBL-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccoc1 ZINC000178475544 388500278 /nfs/dbraw/zinc/50/02/78/388500278.db2.gz VJGPFROMXQSTBL-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO CC1(C)C[C@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000178476163 346956165 /nfs/dbraw/zinc/95/61/65/346956165.db2.gz IEBSGPOJHJCVEM-HNNXBMFYSA-N 1 0 241.334 3.792 20 0 BHADRO CC1(C)C[C@@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000178476171 346956371 /nfs/dbraw/zinc/95/63/71/346956371.db2.gz IEBSGPOJHJCVEM-OAHLLOKOSA-N 1 0 241.334 3.792 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccoc1 ZINC000178476931 533655549 /nfs/dbraw/zinc/65/55/49/533655549.db2.gz VWRIOLCNDLYNKV-LBPRGKRZSA-N 1 0 247.313 3.530 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccoc1 ZINC000178476942 388500826 /nfs/dbraw/zinc/50/08/26/388500826.db2.gz VWRIOLCNDLYNKV-GFCCVEGCSA-N 1 0 247.313 3.530 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000178477434 385283097 /nfs/dbraw/zinc/28/30/97/385283097.db2.gz RCQLBUVNEHRCJQ-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000178477446 385283350 /nfs/dbraw/zinc/28/33/50/385283350.db2.gz RCQLBUVNEHRCJQ-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000178477462 385283697 /nfs/dbraw/zinc/28/36/97/385283697.db2.gz RCQLBUVNEHRCJQ-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000178477476 385282857 /nfs/dbraw/zinc/28/28/57/385282857.db2.gz RCQLBUVNEHRCJQ-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccoc1 ZINC000178487323 366130890 /nfs/dbraw/zinc/13/08/90/366130890.db2.gz XKLNTQBVWBEJSV-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccoc1 ZINC000178487334 366130183 /nfs/dbraw/zinc/13/01/83/366130183.db2.gz XKLNTQBVWBEJSV-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000178494881 174264010 /nfs/dbraw/zinc/26/40/10/174264010.db2.gz LVFRFEFGTHQPJM-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000178494891 174261160 /nfs/dbraw/zinc/26/11/60/174261160.db2.gz LVFRFEFGTHQPJM-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000178494900 174264448 /nfs/dbraw/zinc/26/44/48/174264448.db2.gz LVFRFEFGTHQPJM-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000178494913 174261294 /nfs/dbraw/zinc/26/12/94/174261294.db2.gz LVFRFEFGTHQPJM-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000178495397 385288691 /nfs/dbraw/zinc/28/86/91/385288691.db2.gz PFGJIOIAFJORHM-PWSUYJOCSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CCC2)s1 ZINC000178495411 385289643 /nfs/dbraw/zinc/28/96/43/385289643.db2.gz PFGJIOIAFJORHM-JQWIXIFHSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000178495423 385288805 /nfs/dbraw/zinc/28/88/05/385288805.db2.gz PFGJIOIAFJORHM-ZYHUDNBSSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)C2CCC2)s1 ZINC000178495434 385287943 /nfs/dbraw/zinc/28/79/43/385287943.db2.gz PFGJIOIAFJORHM-CMPLNLGQSA-N 1 0 237.412 3.766 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000178498673 174263876 /nfs/dbraw/zinc/26/38/76/174263876.db2.gz FXIKSVFVDSDFMA-GJZGRUSLSA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000178498685 174262804 /nfs/dbraw/zinc/26/28/04/174262804.db2.gz FXIKSVFVDSDFMA-CABCVRRESA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000178498697 174260320 /nfs/dbraw/zinc/26/03/20/174260320.db2.gz FXIKSVFVDSDFMA-LSDHHAIUSA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000178498709 174260690 /nfs/dbraw/zinc/26/06/90/174260690.db2.gz FXIKSVFVDSDFMA-HUUCEWRRSA-N 1 0 249.398 3.503 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]CCCC2CCCC2)cn1 ZINC000178500378 205637925 /nfs/dbraw/zinc/63/79/25/205637925.db2.gz IKOYYIVMCJYESE-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1cc([C@H](C)[NH2+]CCCC2CCCC2)cn1 ZINC000178500392 385291713 /nfs/dbraw/zinc/29/17/13/385291713.db2.gz IKOYYIVMCJYESE-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccoc1 ZINC000178505135 366131245 /nfs/dbraw/zinc/13/12/45/366131245.db2.gz DCHRJLQPQWTWII-LJLILKBBSA-N 1 0 227.307 3.644 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccoc1 ZINC000178505148 346957261 /nfs/dbraw/zinc/95/72/61/346957261.db2.gz DCHRJLQPQWTWII-OQHXTRMZSA-N 1 0 227.307 3.644 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1cc2ccccc2o1 ZINC000178509633 388500732 /nfs/dbraw/zinc/50/07/32/388500732.db2.gz PRMLNHAPJZBJLZ-UHFFFAOYSA-N 1 0 241.290 3.658 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CCC2CCCC2)cn1 ZINC000178509719 535065239 /nfs/dbraw/zinc/06/52/39/535065239.db2.gz UOMULTKOJPSPFF-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CCC2CCCC2)cn1 ZINC000178509727 134307463 /nfs/dbraw/zinc/30/74/63/134307463.db2.gz UOMULTKOJPSPFF-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000178513567 535088372 /nfs/dbraw/zinc/08/83/72/535088372.db2.gz NUPAHRDVUCVRNE-UHFFFAOYSA-N 1 0 229.323 3.806 20 0 BHADRO CSCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000178515576 366133269 /nfs/dbraw/zinc/13/32/69/366133269.db2.gz IXZFOJMTQYMFKF-OAHLLOKOSA-N 1 0 247.407 3.501 20 0 BHADRO CSCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000178515592 366132431 /nfs/dbraw/zinc/13/24/31/366132431.db2.gz IXZFOJMTQYMFKF-HNNXBMFYSA-N 1 0 247.407 3.501 20 0 BHADRO COCCC[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000178516724 229530157 /nfs/dbraw/zinc/53/01/57/229530157.db2.gz LBSYMTYOFJCCSO-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000178516815 388501948 /nfs/dbraw/zinc/50/19/48/388501948.db2.gz LBSYMTYOFJCCSO-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000178519065 388502220 /nfs/dbraw/zinc/50/22/20/388502220.db2.gz RIDDQSBYSIKPII-NSHDSACASA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000178519076 388501852 /nfs/dbraw/zinc/50/18/52/388501852.db2.gz RIDDQSBYSIKPII-LLVKDONJSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)c1csc(C[NH2+][C@@H](C)C2CCC2)n1 ZINC000178520951 205637720 /nfs/dbraw/zinc/63/77/20/205637720.db2.gz ZJMAUACDDLHJJB-JTQLQIEISA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1csc(C[NH2+][C@H](C)C2CCC2)n1 ZINC000178520961 385293722 /nfs/dbraw/zinc/29/37/22/385293722.db2.gz ZJMAUACDDLHJJB-SNVBAGLBSA-N 1 0 238.400 3.545 20 0 BHADRO CC[N@H+](Cc1cc2ccccc2o1)C(C)C ZINC000178523239 388502230 /nfs/dbraw/zinc/50/22/30/388502230.db2.gz AWMVLEYBTNMTFK-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000178526116 388501730 /nfs/dbraw/zinc/50/17/30/388501730.db2.gz OCFNNXHIDYMDNV-LLVKDONJSA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000178526126 388502028 /nfs/dbraw/zinc/50/20/28/388502028.db2.gz OCFNNXHIDYMDNV-NSHDSACASA-N 1 0 217.312 3.663 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178549776 534925147 /nfs/dbraw/zinc/92/51/47/534925147.db2.gz CVHCANOALWIAHW-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178549788 534956316 /nfs/dbraw/zinc/95/63/16/534956316.db2.gz CVHCANOALWIAHW-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178553095 134307810 /nfs/dbraw/zinc/30/78/10/134307810.db2.gz CVMVORPTCZFZCM-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178553185 535655671 /nfs/dbraw/zinc/65/56/71/535655671.db2.gz CVMVORPTCZFZCM-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178553201 134307918 /nfs/dbraw/zinc/30/79/18/134307918.db2.gz CVMVORPTCZFZCM-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178553207 535659168 /nfs/dbraw/zinc/65/91/68/535659168.db2.gz CVMVORPTCZFZCM-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CCC1 ZINC000178564881 388501980 /nfs/dbraw/zinc/50/19/80/388501980.db2.gz XCYDOXPJXCXTDP-LBPRGKRZSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CCC1 ZINC000178564896 388501959 /nfs/dbraw/zinc/50/19/59/388501959.db2.gz XCYDOXPJXCXTDP-GFCCVEGCSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccoc1 ZINC000178568667 366139990 /nfs/dbraw/zinc/13/99/90/366139990.db2.gz WKYAQRWCGKSHSO-BBRMVZONSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccoc1 ZINC000178568679 366140237 /nfs/dbraw/zinc/14/02/37/366140237.db2.gz WKYAQRWCGKSHSO-XJKSGUPXSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccoc1 ZINC000178568691 366139877 /nfs/dbraw/zinc/13/98/77/366139877.db2.gz WKYAQRWCGKSHSO-CJNGLKHVSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccoc1 ZINC000178568701 366139779 /nfs/dbraw/zinc/13/97/79/366139779.db2.gz WKYAQRWCGKSHSO-CZUORRHYSA-N 1 0 243.350 3.952 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCCOC ZINC000178570479 388501725 /nfs/dbraw/zinc/50/17/25/388501725.db2.gz FOTAOKUIZZMGJB-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000178570499 388502034 /nfs/dbraw/zinc/50/20/34/388502034.db2.gz FOTAOKUIZZMGJB-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000178578536 388502633 /nfs/dbraw/zinc/50/26/33/388502633.db2.gz MKDWXDGOUUBDQT-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000178578544 388503116 /nfs/dbraw/zinc/50/31/16/388503116.db2.gz MKDWXDGOUUBDQT-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178605688 535644590 /nfs/dbraw/zinc/64/45/90/535644590.db2.gz MTVZXCDMFQGFDD-UPJWGTAASA-N 1 0 237.391 3.549 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178605696 134312049 /nfs/dbraw/zinc/31/20/49/134312049.db2.gz MTVZXCDMFQGFDD-XQQFMLRXSA-N 1 0 237.391 3.549 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178605704 134312040 /nfs/dbraw/zinc/31/20/40/134312040.db2.gz MTVZXCDMFQGFDD-AGIUHOORSA-N 1 0 237.391 3.549 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178605710 346959809 /nfs/dbraw/zinc/95/98/09/346959809.db2.gz MTVZXCDMFQGFDD-AVGNSLFASA-N 1 0 237.391 3.549 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000178650898 229531785 /nfs/dbraw/zinc/53/17/85/229531785.db2.gz UAWYRMJWNDEDCS-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000178650910 388503003 /nfs/dbraw/zinc/50/30/03/388503003.db2.gz UAWYRMJWNDEDCS-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000178650920 388502417 /nfs/dbraw/zinc/50/24/17/388502417.db2.gz UAWYRMJWNDEDCS-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000178650927 229531712 /nfs/dbraw/zinc/53/17/12/229531712.db2.gz UAWYRMJWNDEDCS-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000178663480 385316766 /nfs/dbraw/zinc/31/67/66/385316766.db2.gz ZTXWMTABZIVGPB-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000178663491 385315596 /nfs/dbraw/zinc/31/55/96/385315596.db2.gz ZTXWMTABZIVGPB-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CC(C)[N@H+](Cc1cscn1)C1CCCCC1 ZINC000178670618 388503674 /nfs/dbraw/zinc/50/36/74/388503674.db2.gz TUARHXMWRAALJW-UHFFFAOYSA-N 1 0 238.400 3.686 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CCC(C)C)n1 ZINC000178672565 346962071 /nfs/dbraw/zinc/96/20/71/346962071.db2.gz YGNCMMOEVDCFJL-HNNXBMFYSA-N 1 0 232.371 3.573 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CCC(C)C)n1 ZINC000178672574 134312951 /nfs/dbraw/zinc/31/29/51/134312951.db2.gz YGNCMMOEVDCFJL-OAHLLOKOSA-N 1 0 232.371 3.573 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)n1 ZINC000178673303 134312995 /nfs/dbraw/zinc/31/29/95/134312995.db2.gz JWCBZRHUSOPZLY-HOCLYGCPSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)n1 ZINC000178673318 134312930 /nfs/dbraw/zinc/31/29/30/134312930.db2.gz JWCBZRHUSOPZLY-GOEBONIOSA-N 1 0 242.366 3.636 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000178677451 219866372 /nfs/dbraw/zinc/86/63/72/219866372.db2.gz OBYJLCMBGXZFEP-GFCCVEGCSA-N 1 0 223.335 3.820 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000178677462 219866462 /nfs/dbraw/zinc/86/64/62/219866462.db2.gz OBYJLCMBGXZFEP-LBPRGKRZSA-N 1 0 223.335 3.820 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C)s1 ZINC000178677529 385317067 /nfs/dbraw/zinc/31/70/67/385317067.db2.gz BJPAKQOGWZDRQX-SECBINFHSA-N 1 0 240.416 3.711 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C)s1 ZINC000178677544 385316906 /nfs/dbraw/zinc/31/69/06/385316906.db2.gz BJPAKQOGWZDRQX-VIFPVBQESA-N 1 0 240.416 3.711 20 0 BHADRO CC(C)C[C@H]([NH2+]CC(C)(C)C)c1ccccn1 ZINC000178677586 366153802 /nfs/dbraw/zinc/15/38/02/366153802.db2.gz GWHRAKDERLGHGN-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC(C)(C)C)c1ccccn1 ZINC000178677595 366154103 /nfs/dbraw/zinc/15/41/03/366154103.db2.gz GWHRAKDERLGHGN-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC(C)(C)C ZINC000178677870 635651292 /nfs/dbraw/zinc/65/12/92/635651292.db2.gz ODZSQSLTHBXZJC-JTQLQIEISA-N 1 0 217.422 3.542 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC(C)(C)C ZINC000178677879 635650723 /nfs/dbraw/zinc/65/07/23/635650723.db2.gz ODZSQSLTHBXZJC-SNVBAGLBSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccc2ccccc2n1 ZINC000178678743 366154362 /nfs/dbraw/zinc/15/43/62/366154362.db2.gz DBPQYCNRCZAMAL-LBPRGKRZSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc2ccccc2n1 ZINC000178678755 366154263 /nfs/dbraw/zinc/15/42/63/366154263.db2.gz DBPQYCNRCZAMAL-GFCCVEGCSA-N 1 0 242.366 3.932 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)C)o1 ZINC000178678890 219866480 /nfs/dbraw/zinc/86/64/80/219866480.db2.gz ARQYIMIEARMTCL-SNVBAGLBSA-N 1 0 209.333 3.539 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)C)o1 ZINC000178678903 385316295 /nfs/dbraw/zinc/31/62/95/385316295.db2.gz ARQYIMIEARMTCL-JTQLQIEISA-N 1 0 209.333 3.539 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCOC)c1cccs1 ZINC000178709991 205642397 /nfs/dbraw/zinc/64/23/97/205642397.db2.gz JHFPASUREJBIFS-RYUDHWBXSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCOC)c1cccs1 ZINC000178710001 205641791 /nfs/dbraw/zinc/64/17/91/205641791.db2.gz JHFPASUREJBIFS-NWDGAFQWSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCOC)c1cccs1 ZINC000178710014 385319211 /nfs/dbraw/zinc/31/92/11/385319211.db2.gz JHFPASUREJBIFS-NEPJUHHUSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCOC)c1cccs1 ZINC000178710023 205642617 /nfs/dbraw/zinc/64/26/17/205642617.db2.gz JHFPASUREJBIFS-VXGBXAGGSA-N 1 0 241.400 3.604 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000178716910 385413615 /nfs/dbraw/zinc/41/36/15/385413615.db2.gz WZZWAZKBTUISAS-QWHCGFSZSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178717021 385414544 /nfs/dbraw/zinc/41/45/44/385414544.db2.gz WZZWAZKBTUISAS-STQMWFEESA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000178717038 187996110 /nfs/dbraw/zinc/99/61/10/187996110.db2.gz WZZWAZKBTUISAS-CHWSQXEVSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178717048 385413917 /nfs/dbraw/zinc/41/39/17/385413917.db2.gz WZZWAZKBTUISAS-OLZOCXBDSA-N 1 0 249.402 3.514 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000178727342 229533214 /nfs/dbraw/zinc/53/32/14/229533214.db2.gz GDFAMPHPIXSJOO-GJZGRUSLSA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000178727351 388503722 /nfs/dbraw/zinc/50/37/22/388503722.db2.gz GDFAMPHPIXSJOO-CABCVRRESA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000178727358 388504475 /nfs/dbraw/zinc/50/44/75/388504475.db2.gz GDFAMPHPIXSJOO-LSDHHAIUSA-N 1 0 249.398 3.503 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000178727372 229533874 /nfs/dbraw/zinc/53/38/74/229533874.db2.gz GDFAMPHPIXSJOO-HUUCEWRRSA-N 1 0 249.398 3.503 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)CCCOC)CC1 ZINC000178731133 385320703 /nfs/dbraw/zinc/32/07/03/385320703.db2.gz WQPHUIAMEVIKQG-NFOMZHRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)CCCOC)CC1 ZINC000178731141 527832787 /nfs/dbraw/zinc/83/27/87/527832787.db2.gz WQPHUIAMEVIKQG-WLYUNCDWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccsc1)c1ccncc1 ZINC000178762711 385417863 /nfs/dbraw/zinc/41/78/63/385417863.db2.gz ANIMGTBURZYQMA-FZMZJTMJSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccncc1 ZINC000178762723 346964995 /nfs/dbraw/zinc/96/49/95/346964995.db2.gz ANIMGTBURZYQMA-SMDDNHRTSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)c1ccncc1 ZINC000178762737 385417661 /nfs/dbraw/zinc/41/76/61/385417661.db2.gz ANIMGTBURZYQMA-RISCZKNCSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccsc1)c1ccncc1 ZINC000178762752 346965345 /nfs/dbraw/zinc/96/53/45/346965345.db2.gz ANIMGTBURZYQMA-BXUZGUMPSA-N 1 0 246.379 3.945 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000178906574 134313256 /nfs/dbraw/zinc/31/32/56/134313256.db2.gz JAIWGRNNLCAORL-LBPRGKRZSA-N 1 0 238.400 3.544 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000178906586 134313185 /nfs/dbraw/zinc/31/31/85/134313185.db2.gz JAIWGRNNLCAORL-GFCCVEGCSA-N 1 0 238.400 3.544 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178907533 134313249 /nfs/dbraw/zinc/31/32/49/134313249.db2.gz NNKRJUSDWRQENW-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178907550 134313442 /nfs/dbraw/zinc/31/34/42/134313442.db2.gz NNKRJUSDWRQENW-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccn1 ZINC000178917063 528225365 /nfs/dbraw/zinc/22/53/65/528225365.db2.gz MMRGWBANPSONPI-GJZGRUSLSA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccn1 ZINC000178917080 388507621 /nfs/dbraw/zinc/50/76/21/388507621.db2.gz MMRGWBANPSONPI-LSDHHAIUSA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccn1 ZINC000178917092 388507340 /nfs/dbraw/zinc/50/73/40/388507340.db2.gz MMRGWBANPSONPI-CABCVRRESA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccn1 ZINC000178917101 388507137 /nfs/dbraw/zinc/50/71/37/388507137.db2.gz MMRGWBANPSONPI-HUUCEWRRSA-N 1 0 244.382 3.869 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)CCC2 ZINC000178952598 385429473 /nfs/dbraw/zinc/42/94/73/385429473.db2.gz PPCDPTNUSMAWDH-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)CCC2 ZINC000178952608 385429715 /nfs/dbraw/zinc/42/97/15/385429715.db2.gz PPCDPTNUSMAWDH-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO CC[N@H+](Cc1ccc(OC)c(Cl)c1)C(C)C ZINC000178983840 366196546 /nfs/dbraw/zinc/19/65/46/366196546.db2.gz PVAHGIFRRSEBDR-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000179039798 134314619 /nfs/dbraw/zinc/31/46/19/134314619.db2.gz SDFJMHXZDSQYDZ-ZDUSSCGKSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000179039811 134314737 /nfs/dbraw/zinc/31/47/37/134314737.db2.gz SDFJMHXZDSQYDZ-CYBMUJFWSA-N 1 0 238.400 3.544 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)s1 ZINC000179144732 488201817 /nfs/dbraw/zinc/20/18/17/488201817.db2.gz ZLSPXFUCVPDTKE-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C2CCCC2)s1 ZINC000179144741 488201652 /nfs/dbraw/zinc/20/16/52/488201652.db2.gz ZLSPXFUCVPDTKE-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C2CCCC2)s1 ZINC000179144753 488201729 /nfs/dbraw/zinc/20/17/29/488201729.db2.gz ZLSPXFUCVPDTKE-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)C2CCCC2)s1 ZINC000179144763 488195214 /nfs/dbraw/zinc/19/52/14/488195214.db2.gz ZLSPXFUCVPDTKE-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO COCc1cccc(C[N@H+](C)C2CCCCC2)c1 ZINC000179190728 386625180 /nfs/dbraw/zinc/62/51/80/386625180.db2.gz KXENYAAZMFOXEV-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO CC[N@H+](Cc1cccc(COC)c1)C1CCCC1 ZINC000179197016 366222157 /nfs/dbraw/zinc/22/21/57/366222157.db2.gz SFMHCZBMFWDSRY-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO COCc1cccc(C[N@H+](C(C)C)C2CCC2)c1 ZINC000179237676 134318610 /nfs/dbraw/zinc/31/86/10/134318610.db2.gz ABCVMALVKPFUEO-UHFFFAOYSA-N 1 0 247.382 3.596 20 0 BHADRO COc1ccc2oc(C[NH2+]CC(C)(C)C)cc2c1 ZINC000179294602 386630544 /nfs/dbraw/zinc/63/05/44/386630544.db2.gz HJXLKQOWCFRAFO-UHFFFAOYSA-N 1 0 247.338 3.577 20 0 BHADRO c1cc(C[N@H+](C2CC2)C2CCCC2)cs1 ZINC000179296985 366240485 /nfs/dbraw/zinc/24/04/85/366240485.db2.gz SOMBLJPNTVTYES-UHFFFAOYSA-N 1 0 221.369 3.655 20 0 BHADRO CC[N@@H+](Cc1cccc2[nH]ccc21)CC(C)C ZINC000179302464 386633968 /nfs/dbraw/zinc/63/39/68/386633968.db2.gz HEXOXDBWYQSCFK-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccoc1 ZINC000179319179 366241778 /nfs/dbraw/zinc/24/17/78/366241778.db2.gz GKLZIYKSDZNPAB-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1coc2ccccc12 ZINC000179323172 386637460 /nfs/dbraw/zinc/63/74/60/386637460.db2.gz STGUFQKJWCEGBF-LLVKDONJSA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1coc2ccccc12 ZINC000179323182 386637437 /nfs/dbraw/zinc/63/74/37/386637437.db2.gz STGUFQKJWCEGBF-NSHDSACASA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000179324110 386639021 /nfs/dbraw/zinc/63/90/21/386639021.db2.gz CAUPHKOMHCUNGN-GMXVVIOVSA-N 1 0 221.344 3.633 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000179324462 256669888 /nfs/dbraw/zinc/66/98/88/256669888.db2.gz UXUWNNBLQCEWOW-BTDICHCPSA-N 1 0 221.319 3.569 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000179324471 386636840 /nfs/dbraw/zinc/63/68/40/386636840.db2.gz UXUWNNBLQCEWOW-FYJFLYSWSA-N 1 0 221.319 3.569 20 0 BHADRO COc1cc([C@H](C)[NH2+]CCC(C)C)ccc1F ZINC000179391269 385373979 /nfs/dbraw/zinc/37/39/79/385373979.db2.gz HRBNBZGKRPFLPA-NSHDSACASA-N 1 0 239.334 3.531 20 0 BHADRO COc1cc([C@@H](C)[NH2+]CCC(C)C)ccc1F ZINC000179391277 205650240 /nfs/dbraw/zinc/65/02/40/205650240.db2.gz HRBNBZGKRPFLPA-LLVKDONJSA-N 1 0 239.334 3.531 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000179401108 384286757 /nfs/dbraw/zinc/28/67/57/384286757.db2.gz IMHGZLWZFYGWME-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000179401116 384286830 /nfs/dbraw/zinc/28/68/30/384286830.db2.gz IMHGZLWZFYGWME-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccoc1 ZINC000179405300 179223752 /nfs/dbraw/zinc/22/37/52/179223752.db2.gz DYJLCVNHSXLLRU-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccoc1 ZINC000179405308 179223154 /nfs/dbraw/zinc/22/31/54/179223154.db2.gz DYJLCVNHSXLLRU-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccoc1 ZINC000179405320 179223977 /nfs/dbraw/zinc/22/39/77/179223977.db2.gz DYJLCVNHSXLLRU-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccoc1 ZINC000179405331 179221993 /nfs/dbraw/zinc/22/19/93/179221993.db2.gz DYJLCVNHSXLLRU-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO COc1cc([C@H](C)[NH2+]CC(C)(C)C)ccc1F ZINC000179408661 385373995 /nfs/dbraw/zinc/37/39/95/385373995.db2.gz BRTTYVZKKDNCIM-JTQLQIEISA-N 1 0 239.334 3.531 20 0 BHADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)C)ccc1F ZINC000179408668 385373887 /nfs/dbraw/zinc/37/38/87/385373887.db2.gz BRTTYVZKKDNCIM-SNVBAGLBSA-N 1 0 239.334 3.531 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccoc1 ZINC000179434474 384890476 /nfs/dbraw/zinc/89/04/76/384890476.db2.gz PLWYEIYFERVEEE-APHBMKBZSA-N 1 0 241.334 3.734 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccoc1 ZINC000179434476 384890085 /nfs/dbraw/zinc/89/00/85/384890085.db2.gz PLWYEIYFERVEEE-DAXOMENPSA-N 1 0 241.334 3.734 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1ccccn1 ZINC000179461030 385468157 /nfs/dbraw/zinc/46/81/57/385468157.db2.gz HPZRPOVYJRZXRS-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1ccccn1 ZINC000179461038 385466714 /nfs/dbraw/zinc/46/67/14/385466714.db2.gz HPZRPOVYJRZXRS-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccccn1 ZINC000179473758 384296248 /nfs/dbraw/zinc/29/62/48/384296248.db2.gz PBGPZURJMUTRKA-KGLIPLIRSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccccn1 ZINC000179473767 384295922 /nfs/dbraw/zinc/29/59/22/384295922.db2.gz PBGPZURJMUTRKA-ZIAGYGMSSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccccn1 ZINC000179473778 256514912 /nfs/dbraw/zinc/51/49/12/256514912.db2.gz PBGPZURJMUTRKA-KBPBESRZSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccccn1 ZINC000179473791 384295671 /nfs/dbraw/zinc/29/56/71/384295671.db2.gz PBGPZURJMUTRKA-UONOGXRCSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)[N@H+](Cc1coc2ccccc12)C1CC1 ZINC000179484605 346985901 /nfs/dbraw/zinc/98/59/01/346985901.db2.gz RMJWIFLCXHRAST-UHFFFAOYSA-N 1 0 229.323 3.806 20 0 BHADRO COc1ccccc1/C=C/C[N@H+](C(C)C)C1CC1 ZINC000179485105 384295969 /nfs/dbraw/zinc/29/59/69/384295969.db2.gz NZMYGOCKXDESIP-SOFGYWHQSA-N 1 0 245.366 3.581 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C(C)C)C1CC1 ZINC000179485194 366262357 /nfs/dbraw/zinc/26/23/57/366262357.db2.gz FFGJCLLLJNCUAS-UHFFFAOYSA-N 1 0 221.319 3.507 20 0 BHADRO CC(C)[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000179485614 385469845 /nfs/dbraw/zinc/46/98/45/385469845.db2.gz QYUXFYQDVAVEHW-UHFFFAOYSA-N 1 0 228.339 3.541 20 0 BHADRO CC[N@H+](Cc1cnn(C(C)C)c1)C1CCCCC1 ZINC000179494994 384296202 /nfs/dbraw/zinc/29/62/02/384296202.db2.gz VGVJMGYKOKLYKF-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1ccsc1)C1CC1 ZINC000179496834 384294449 /nfs/dbraw/zinc/29/44/49/384294449.db2.gz RHJHBNTYIYRVQA-LLVKDONJSA-N 1 0 223.385 3.757 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1ccsc1)C1CC1 ZINC000179496841 384295885 /nfs/dbraw/zinc/29/58/85/384295885.db2.gz RHJHBNTYIYRVQA-NSHDSACASA-N 1 0 223.385 3.757 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000179519662 535410089 /nfs/dbraw/zinc/41/00/89/535410089.db2.gz CYSHZCOSSSNEKA-CYBMUJFWSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000179519668 134321176 /nfs/dbraw/zinc/32/11/76/134321176.db2.gz CYSHZCOSSSNEKA-ZDUSSCGKSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC000179519735 535410132 /nfs/dbraw/zinc/41/01/32/535410132.db2.gz XPGUFRKJETVTEO-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC000179519748 134321530 /nfs/dbraw/zinc/32/15/30/134321530.db2.gz XPGUFRKJETVTEO-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cnc(C)s1 ZINC000179519809 535410314 /nfs/dbraw/zinc/41/03/14/535410314.db2.gz UBFRNHFBCSYOKX-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cnc(C)s1 ZINC000179519815 134321533 /nfs/dbraw/zinc/32/15/33/134321533.db2.gz UBFRNHFBCSYOKX-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000179520264 385376468 /nfs/dbraw/zinc/37/64/68/385376468.db2.gz VKZIECWJPVVPPF-OAHLLOKOSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000179520275 385376652 /nfs/dbraw/zinc/37/66/52/385376652.db2.gz VKZIECWJPVVPPF-HNNXBMFYSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1nccn1C(C)C ZINC000179522118 535411608 /nfs/dbraw/zinc/41/16/08/535411608.db2.gz POJAHIOPQXMOKA-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1nccn1C(C)C ZINC000179522128 134321152 /nfs/dbraw/zinc/32/11/52/134321152.db2.gz POJAHIOPQXMOKA-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000179536753 385376477 /nfs/dbraw/zinc/37/64/77/385376477.db2.gz DWERPYPYNJYZRP-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000179536761 385375938 /nfs/dbraw/zinc/37/59/38/385375938.db2.gz DWERPYPYNJYZRP-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1Cl ZINC000179561710 642726194 /nfs/dbraw/zinc/72/61/94/642726194.db2.gz WYXZSUUJIHTDPC-NCJLJLRUSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1Cl ZINC000179561719 642726964 /nfs/dbraw/zinc/72/69/64/642726964.db2.gz WYXZSUUJIHTDPC-IBDUZEINSA-N 1 0 248.128 3.882 20 0 BHADRO CC1(c2ccccc2)CC[NH+](C2CCC2)CC1 ZINC000179570883 346989174 /nfs/dbraw/zinc/98/91/74/346989174.db2.gz RWHWGORNDOJMJP-UHFFFAOYSA-N 1 0 229.367 3.593 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCCO)cc1C ZINC000179572408 385473488 /nfs/dbraw/zinc/47/34/88/385473488.db2.gz SNWGEURKIWDOPZ-OAHLLOKOSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCCCO)cc1C ZINC000179572419 385474631 /nfs/dbraw/zinc/47/46/31/385474631.db2.gz SNWGEURKIWDOPZ-HNNXBMFYSA-N 1 0 249.398 3.507 20 0 BHADRO C[C@@H]1C[N@@H+](C2CCC2)CC[C@@H]1c1ccccc1 ZINC000179580199 366270783 /nfs/dbraw/zinc/27/07/83/366270783.db2.gz KYXUCPFUUIGEKZ-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1C[N@@H+](C2CCC2)CC[C@@H]1c1ccccc1 ZINC000179580212 366273293 /nfs/dbraw/zinc/27/32/93/366273293.db2.gz KYXUCPFUUIGEKZ-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO COCCCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179584034 366273969 /nfs/dbraw/zinc/27/39/69/366273969.db2.gz RNXBSSWYXONMJT-UHFFFAOYSA-N 1 0 249.398 3.636 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCOC(C)(C)C)c1 ZINC000179585607 366273551 /nfs/dbraw/zinc/27/35/51/366273551.db2.gz NVBHKPCNYKBQSS-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO CSCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179593660 385378316 /nfs/dbraw/zinc/37/83/16/385378316.db2.gz LRATUZZWYPZQKX-UHFFFAOYSA-N 1 0 237.412 3.573 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCCOC(C)C)c1 ZINC000179595434 366274697 /nfs/dbraw/zinc/27/46/97/366274697.db2.gz KGXVHOTVQLWOAC-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C/C=C/Cl)c1 ZINC000179596484 642728274 /nfs/dbraw/zinc/72/82/74/642728274.db2.gz AAQNDQYOTGWNPE-VMPITWQZSA-N 1 0 223.747 3.572 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000179598545 366275310 /nfs/dbraw/zinc/27/53/10/366275310.db2.gz KMPBMIZYDWABOZ-UKRRQHHQSA-N 1 0 234.387 3.598 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000179598554 366275618 /nfs/dbraw/zinc/27/56/18/366275618.db2.gz KMPBMIZYDWABOZ-DZGCQCFKSA-N 1 0 234.387 3.598 20 0 BHADRO CSCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179603403 205652032 /nfs/dbraw/zinc/65/20/32/205652032.db2.gz LLYFBLIFOBWTKB-UHFFFAOYSA-N 1 0 243.803 3.528 20 0 BHADRO CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179603961 206010445 /nfs/dbraw/zinc/01/04/45/206010445.db2.gz HYIMMAJSFDUZEK-UHFFFAOYSA-N 1 0 211.736 3.575 20 0 BHADRO CC(C)([NH2+]CCCF)c1cccc(Cl)c1 ZINC000179606960 188252737 /nfs/dbraw/zinc/25/27/37/188252737.db2.gz AIXIZDWYPOREQP-UHFFFAOYSA-N 1 0 229.726 3.524 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2sccc2C)o1 ZINC000179618666 384313631 /nfs/dbraw/zinc/31/36/31/384313631.db2.gz RHZRZJRGLKWZFL-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO FC(F)(F)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000179619665 384313849 /nfs/dbraw/zinc/31/38/49/384313849.db2.gz VNTPGUNXRNZMRN-RYUDHWBXSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000179619679 384314449 /nfs/dbraw/zinc/31/44/49/384314449.db2.gz VNTPGUNXRNZMRN-NWDGAFQWSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000179623925 366277906 /nfs/dbraw/zinc/27/79/06/366277906.db2.gz ORZKFNWBRWGFPN-JTQLQIEISA-N 1 0 249.301 3.522 20 0 BHADRO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000179623943 366277459 /nfs/dbraw/zinc/27/74/59/366277459.db2.gz ORZKFNWBRWGFPN-SNVBAGLBSA-N 1 0 249.301 3.522 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)C2CCCC2)cc1 ZINC000179630243 366277810 /nfs/dbraw/zinc/27/78/10/366277810.db2.gz XDPKKYGWZXZGLI-ZDUSSCGKSA-N 1 0 247.382 3.673 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)C2CCCC2)cc1 ZINC000179630255 366277293 /nfs/dbraw/zinc/27/72/93/366277293.db2.gz XDPKKYGWZXZGLI-CYBMUJFWSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1F ZINC000179637185 642735353 /nfs/dbraw/zinc/73/53/53/642735353.db2.gz OKSRINFDXIMTHA-UXONFWTHSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1F ZINC000179637196 642735163 /nfs/dbraw/zinc/73/51/63/642735163.db2.gz OKSRINFDXIMTHA-MJRJWQSSSA-N 1 0 245.700 3.758 20 0 BHADRO Fc1ccccc1C1([NH2+][C@H]2C=CCCC2)CC1 ZINC000179661277 642737144 /nfs/dbraw/zinc/73/71/44/642737144.db2.gz PGPBWLRWZHTNCY-LBPRGKRZSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1ccccc1C1([NH2+][C@@H]2C=CCCC2)CC1 ZINC000179661287 642737396 /nfs/dbraw/zinc/73/73/96/642737396.db2.gz PGPBWLRWZHTNCY-GFCCVEGCSA-N 1 0 231.314 3.513 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000179664224 642738237 /nfs/dbraw/zinc/73/82/37/642738237.db2.gz YODXGYMOBBZWSK-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000179664238 633865207 /nfs/dbraw/zinc/86/52/07/633865207.db2.gz YODXGYMOBBZWSK-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000179666539 366282267 /nfs/dbraw/zinc/28/22/67/366282267.db2.gz XCFDBASNMOPOLS-CYBMUJFWSA-N 1 0 235.371 3.529 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000179666551 366281684 /nfs/dbraw/zinc/28/16/84/366281684.db2.gz XCFDBASNMOPOLS-ZDUSSCGKSA-N 1 0 235.371 3.529 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179668723 366281881 /nfs/dbraw/zinc/28/18/81/366281881.db2.gz MRKNWJSHWXESCL-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179668735 366282521 /nfs/dbraw/zinc/28/25/21/366282521.db2.gz MRKNWJSHWXESCL-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO Cl/C=C/C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179678142 642735886 /nfs/dbraw/zinc/73/58/86/642735886.db2.gz RXRSGLYQQKYVGK-FARCUNLSSA-N 1 0 242.149 3.671 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000179682716 366283993 /nfs/dbraw/zinc/28/39/93/366283993.db2.gz QIUFLRREPLFCGO-NEPJUHHUSA-N 1 0 209.333 3.709 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000179682727 366284715 /nfs/dbraw/zinc/28/47/15/366284715.db2.gz QIUFLRREPLFCGO-RYUDHWBXSA-N 1 0 209.333 3.709 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000179696791 366286958 /nfs/dbraw/zinc/28/69/58/366286958.db2.gz KFKWZBRCWKNELT-CHWSQXEVSA-N 1 0 235.371 3.529 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000179696807 366287441 /nfs/dbraw/zinc/28/74/41/366287441.db2.gz KFKWZBRCWKNELT-OLZOCXBDSA-N 1 0 235.371 3.529 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000179702128 384336204 /nfs/dbraw/zinc/33/62/04/384336204.db2.gz SEXNMHJHODXXJF-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000179702142 384335763 /nfs/dbraw/zinc/33/57/63/384335763.db2.gz SEXNMHJHODXXJF-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Fc1cccc(C2([NH2+][C@H]3C=CCCC3)CC2)c1 ZINC000179704169 366288850 /nfs/dbraw/zinc/28/88/50/366288850.db2.gz JCJJBKDBBLXAEG-AWEZNQCLSA-N 1 0 231.314 3.513 20 0 BHADRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000179704590 384332685 /nfs/dbraw/zinc/33/26/85/384332685.db2.gz HLUHXLWIGTXUOC-HOCLYGCPSA-N 1 0 244.382 3.518 20 0 BHADRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000179704600 384332264 /nfs/dbraw/zinc/33/22/64/384332264.db2.gz HLUHXLWIGTXUOC-GOEBONIOSA-N 1 0 244.382 3.518 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000179709695 384331653 /nfs/dbraw/zinc/33/16/53/384331653.db2.gz PJNVOYDSQXBHSS-OAHLLOKOSA-N 1 0 234.387 3.598 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000179709709 384332202 /nfs/dbraw/zinc/33/22/02/384332202.db2.gz PJNVOYDSQXBHSS-HNNXBMFYSA-N 1 0 234.387 3.598 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000179714765 366292012 /nfs/dbraw/zinc/29/20/12/366292012.db2.gz RTEZHNZDEUCGTA-STQMWFEESA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000179714779 366291896 /nfs/dbraw/zinc/29/18/96/366291896.db2.gz RTEZHNZDEUCGTA-OLZOCXBDSA-N 1 0 247.382 3.529 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)Cc1cccs1 ZINC000179720262 259304866 /nfs/dbraw/zinc/30/48/66/259304866.db2.gz OGOHBKMVLGFDLK-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO CC[N@@H+](Cc1ccsc1)Cc1cccs1 ZINC000179721269 259304850 /nfs/dbraw/zinc/30/48/50/259304850.db2.gz MNOSTYCSYXQJQN-UHFFFAOYSA-N 1 0 237.393 3.832 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C(C)C)C2CC2)cc1 ZINC000179725655 366294138 /nfs/dbraw/zinc/29/41/38/366294138.db2.gz NWHYSPCGBHDRDU-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C(C)C)C2CC2)cc1 ZINC000179725664 366294456 /nfs/dbraw/zinc/29/44/56/366294456.db2.gz NWHYSPCGBHDRDU-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccccc1OC ZINC000179731274 205651978 /nfs/dbraw/zinc/65/19/78/205651978.db2.gz PSPPUQRXSZBUGX-AWEZNQCLSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccccc1OC ZINC000179731285 385381260 /nfs/dbraw/zinc/38/12/60/385381260.db2.gz PSPPUQRXSZBUGX-CQSZACIVSA-N 1 0 233.355 3.702 20 0 BHADRO Cc1ncccc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000179766883 134323865 /nfs/dbraw/zinc/32/38/65/134323865.db2.gz ZPOAXKXZUYOHDY-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO COc1ccccc1/C=C/C[N@H+](C)C1CCCC1 ZINC000179798022 384359890 /nfs/dbraw/zinc/35/98/90/384359890.db2.gz NGWHWIVUTBLBJJ-VQHVLOKHSA-N 1 0 245.366 3.583 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000179799446 385492965 /nfs/dbraw/zinc/49/29/65/385492965.db2.gz UIZWHJRJHKANDY-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CC[C@H]([NH2+]C/C=C/Cl)c1cc(F)ccc1F ZINC000179801619 642746663 /nfs/dbraw/zinc/74/66/63/642746663.db2.gz SNYAYBZBLOMEOF-UXONFWTHSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/Cl)c1cc(F)ccc1F ZINC000179801631 642745933 /nfs/dbraw/zinc/74/59/33/642745933.db2.gz SNYAYBZBLOMEOF-MJRJWQSSSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000179805582 134323945 /nfs/dbraw/zinc/32/39/45/134323945.db2.gz DTQROVOBLDZNHF-OAHLLOKOSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000179805592 134323345 /nfs/dbraw/zinc/32/33/45/134323345.db2.gz DTQROVOBLDZNHF-HNNXBMFYSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(OCC(C)C)CC1 ZINC000179807420 366310829 /nfs/dbraw/zinc/31/08/29/366310829.db2.gz CHSFTCMYHDESKU-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(OCC(C)C)CC1 ZINC000179807429 366311305 /nfs/dbraw/zinc/31/13/05/366311305.db2.gz CHSFTCMYHDESKU-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000179818373 134324166 /nfs/dbraw/zinc/32/41/66/134324166.db2.gz QPBNFEUFYFQBPB-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CCC(CC)C[NH+]1CCC(OCC(C)C)CC1 ZINC000179884384 347001637 /nfs/dbraw/zinc/00/16/37/347001637.db2.gz MQMFSVRTZGKYMX-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ncsc1C[N@@H+](C)C1CCCCCC1 ZINC000179884737 385381471 /nfs/dbraw/zinc/38/14/71/385381471.db2.gz JXOWTLJMTXQHTQ-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000179885569 168347394 /nfs/dbraw/zinc/34/73/94/168347394.db2.gz CHCASPKIESBPQI-LBPRGKRZSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000179885583 168349293 /nfs/dbraw/zinc/34/92/93/168349293.db2.gz CHCASPKIESBPQI-GFCCVEGCSA-N 1 0 220.360 3.511 20 0 BHADRO CCC(CC)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179886567 385498654 /nfs/dbraw/zinc/49/86/54/385498654.db2.gz NJTUWPLDPPKXDF-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3sccc3C2)s1 ZINC000179887201 342878417 /nfs/dbraw/zinc/87/84/17/342878417.db2.gz COWYIMAUBJELRB-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCc2sccc2C1 ZINC000179887877 342878118 /nfs/dbraw/zinc/87/81/18/342878118.db2.gz LAOQAFUEWDHDEO-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO COCCCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000179900814 322822452 /nfs/dbraw/zinc/82/24/52/322822452.db2.gz XADDYESKRJSAJM-AWEZNQCLSA-N 1 0 243.435 3.854 20 0 BHADRO COCCCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000179900826 384386968 /nfs/dbraw/zinc/38/69/68/384386968.db2.gz XADDYESKRJSAJM-CQSZACIVSA-N 1 0 243.435 3.854 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCCCCO)C(C)(C)C ZINC000179903523 366332087 /nfs/dbraw/zinc/33/20/87/366332087.db2.gz PQMWJSVMJRBVHE-AWEZNQCLSA-N 1 0 243.435 3.590 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCCCCO)C(C)(C)C ZINC000179903535 366332144 /nfs/dbraw/zinc/33/21/44/366332144.db2.gz PQMWJSVMJRBVHE-CQSZACIVSA-N 1 0 243.435 3.590 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)o1 ZINC000179906497 384389430 /nfs/dbraw/zinc/38/94/30/384389430.db2.gz YRVYPSJFJUERMO-MRXNPFEDSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)o1 ZINC000179906513 259305955 /nfs/dbraw/zinc/30/59/55/259305955.db2.gz YRVYPSJFJUERMO-INIZCTEOSA-N 1 0 241.334 3.707 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1ccon1)C(C)(C)C ZINC000179907718 398246025 /nfs/dbraw/zinc/24/60/25/398246025.db2.gz VOHFWRGSAWTTBD-ZDUSSCGKSA-N 1 0 238.375 3.615 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1ccon1)C(C)(C)C ZINC000179907737 398246116 /nfs/dbraw/zinc/24/61/16/398246116.db2.gz VOHFWRGSAWTTBD-CYBMUJFWSA-N 1 0 238.375 3.615 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@@H]1CCc2ccccc21 ZINC000179909098 259305754 /nfs/dbraw/zinc/30/57/54/259305754.db2.gz NRNBZYSVKKSYPI-OAHLLOKOSA-N 1 0 243.375 3.867 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@H]1CCc2ccccc21 ZINC000179909118 259305974 /nfs/dbraw/zinc/30/59/74/259305974.db2.gz NRNBZYSVKKSYPI-HNNXBMFYSA-N 1 0 243.375 3.867 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccoc1 ZINC000179916300 385499959 /nfs/dbraw/zinc/49/99/59/385499959.db2.gz OHQYNZNJXQLCGB-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccoc1 ZINC000179916312 385500407 /nfs/dbraw/zinc/50/04/07/385500407.db2.gz OHQYNZNJXQLCGB-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000179929176 347004205 /nfs/dbraw/zinc/00/42/05/347004205.db2.gz KTEOXUGHVNNJAR-LBPRGKRZSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000179929193 134325582 /nfs/dbraw/zinc/32/55/82/134325582.db2.gz KTEOXUGHVNNJAR-GFCCVEGCSA-N 1 0 247.313 3.920 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C(C)C)C1CC1 ZINC000179937520 134325330 /nfs/dbraw/zinc/32/53/30/134325330.db2.gz FNNGGALBRAQKOZ-UHFFFAOYSA-N 1 0 221.319 3.507 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000179938642 366336239 /nfs/dbraw/zinc/33/62/39/366336239.db2.gz SURLSHPXMDKBSL-RYUDHWBXSA-N 1 0 249.329 3.594 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000179938658 366336721 /nfs/dbraw/zinc/33/67/21/366336721.db2.gz SURLSHPXMDKBSL-NEPJUHHUSA-N 1 0 249.329 3.594 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000179938675 366336945 /nfs/dbraw/zinc/33/69/45/366336945.db2.gz SURLSHPXMDKBSL-NWDGAFQWSA-N 1 0 249.329 3.594 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000179938688 366335976 /nfs/dbraw/zinc/33/59/76/366335976.db2.gz SURLSHPXMDKBSL-VXGBXAGGSA-N 1 0 249.329 3.594 20 0 BHADRO CC[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179949391 259305902 /nfs/dbraw/zinc/30/59/02/259305902.db2.gz CPOVKTUSVXYTFI-UHFFFAOYSA-N 1 0 233.286 3.537 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179952386 642759951 /nfs/dbraw/zinc/75/99/51/642759951.db2.gz FWRVLUOMLWIDFR-NEPJUHHUSA-N 1 0 237.391 3.728 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179952398 642760422 /nfs/dbraw/zinc/76/04/22/642760422.db2.gz FWRVLUOMLWIDFR-RYUDHWBXSA-N 1 0 237.391 3.728 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000179952413 642760100 /nfs/dbraw/zinc/76/01/00/642760100.db2.gz FWRVLUOMLWIDFR-VXGBXAGGSA-N 1 0 237.391 3.728 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000179952426 642760011 /nfs/dbraw/zinc/76/00/11/642760011.db2.gz FWRVLUOMLWIDFR-NWDGAFQWSA-N 1 0 237.391 3.728 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000179957657 538956913 /nfs/dbraw/zinc/95/69/13/538956913.db2.gz XRDDZRWJNGEGDN-NWDGAFQWSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000179957671 538956632 /nfs/dbraw/zinc/95/66/32/538956632.db2.gz XRDDZRWJNGEGDN-RYUDHWBXSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000179957686 538956562 /nfs/dbraw/zinc/95/65/62/538956562.db2.gz XRDDZRWJNGEGDN-VXGBXAGGSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000179957701 538956866 /nfs/dbraw/zinc/95/68/66/538956866.db2.gz XRDDZRWJNGEGDN-NEPJUHHUSA-N 1 0 237.391 3.584 20 0 BHADRO FC(F)(F)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000179962969 384406609 /nfs/dbraw/zinc/40/66/09/384406609.db2.gz NANGQIXVJIBWTK-LLVKDONJSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000179962989 384406952 /nfs/dbraw/zinc/40/69/52/384406952.db2.gz NANGQIXVJIBWTK-NSHDSACASA-N 1 0 247.304 3.617 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)[C@H](C)C2 ZINC000179970472 385502538 /nfs/dbraw/zinc/50/25/38/385502538.db2.gz QUWKRDXVBVKZNR-MLGOLLRUSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)[C@H](C)C2 ZINC000179970487 385502354 /nfs/dbraw/zinc/50/23/54/385502354.db2.gz QUWKRDXVBVKZNR-WBMJQRKESA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)[C@@H](C)C2 ZINC000179970499 385501782 /nfs/dbraw/zinc/50/17/82/385501782.db2.gz QUWKRDXVBVKZNR-BLLLJJGKSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)[C@@H](C)C2 ZINC000179970512 385501737 /nfs/dbraw/zinc/50/17/37/385501737.db2.gz QUWKRDXVBVKZNR-LRDDRELGSA-N 1 0 241.334 3.611 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179971227 538956648 /nfs/dbraw/zinc/95/66/48/538956648.db2.gz LLJRUADJHXXCMO-WCQYABFASA-N 1 0 237.391 3.585 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179971239 538956666 /nfs/dbraw/zinc/95/66/66/538956666.db2.gz LLJRUADJHXXCMO-AAEUAGOBSA-N 1 0 237.391 3.585 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000179971253 538956528 /nfs/dbraw/zinc/95/65/28/538956528.db2.gz LLJRUADJHXXCMO-DGCLKSJQSA-N 1 0 237.391 3.585 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000179971270 538956541 /nfs/dbraw/zinc/95/65/41/538956541.db2.gz LLJRUADJHXXCMO-YPMHNXCESA-N 1 0 237.391 3.585 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cc(F)ccc1C ZINC000179978613 347006021 /nfs/dbraw/zinc/00/60/21/347006021.db2.gz MAOXHYCDYCIEKH-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)C1CCC1 ZINC000179990045 366347236 /nfs/dbraw/zinc/34/72/36/366347236.db2.gz ROYKJEYRKXZSDX-ZDUSSCGKSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)C1CCC1 ZINC000179990055 366346802 /nfs/dbraw/zinc/34/68/02/366346802.db2.gz ROYKJEYRKXZSDX-CYBMUJFWSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)C(C)C ZINC000179990650 366347251 /nfs/dbraw/zinc/34/72/51/366347251.db2.gz HIEQBPVOJBHJJS-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)C(C)C ZINC000179990664 366347197 /nfs/dbraw/zinc/34/71/97/366347197.db2.gz HIEQBPVOJBHJJS-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000179997093 366348724 /nfs/dbraw/zinc/34/87/24/366348724.db2.gz HFXQTPLPWCVTIH-UHFFFAOYSA-N 1 0 243.272 3.694 20 0 BHADRO CC[C@H]([NH2+]CCCF)C(C)(C)c1ccccc1 ZINC000180005896 366352719 /nfs/dbraw/zinc/35/27/19/366352719.db2.gz NUIQGWPTMONCMO-AWEZNQCLSA-N 1 0 237.362 3.692 20 0 BHADRO CC[C@@H]([NH2+]CCCF)C(C)(C)c1ccccc1 ZINC000180005910 366352530 /nfs/dbraw/zinc/35/25/30/366352530.db2.gz NUIQGWPTMONCMO-CQSZACIVSA-N 1 0 237.362 3.692 20 0 BHADRO c1csc(C[N@H+](Cc2ccsc2)C2CC2)c1 ZINC000180035735 384432502 /nfs/dbraw/zinc/43/25/02/384432502.db2.gz SWZSPBPJISXNDD-UHFFFAOYSA-N 1 0 249.404 3.974 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000180047656 384432071 /nfs/dbraw/zinc/43/20/71/384432071.db2.gz IOGRFBKDPFUYRK-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000180055095 366366297 /nfs/dbraw/zinc/36/62/97/366366297.db2.gz WVUXFPALUVJWIV-CHWSQXEVSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000180055110 366366394 /nfs/dbraw/zinc/36/63/94/366366394.db2.gz WVUXFPALUVJWIV-QWHCGFSZSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000180055126 366366472 /nfs/dbraw/zinc/36/64/72/366366472.db2.gz WVUXFPALUVJWIV-OLZOCXBDSA-N 1 0 247.382 3.719 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2(C)CCC2)cc1 ZINC000180055141 366366318 /nfs/dbraw/zinc/36/63/18/366366318.db2.gz WVUXFPALUVJWIV-STQMWFEESA-N 1 0 247.382 3.719 20 0 BHADRO CCC[N@H+](C/C=C/c1ccccc1OC)C1CC1 ZINC000180097918 262713159 /nfs/dbraw/zinc/71/31/59/262713159.db2.gz ONNAVAARAHKSPY-SOFGYWHQSA-N 1 0 245.366 3.583 20 0 BHADRO CCC[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000180099028 384437204 /nfs/dbraw/zinc/43/72/04/384437204.db2.gz BWAMTJALDCVEEP-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000180103045 538957406 /nfs/dbraw/zinc/95/74/06/538957406.db2.gz VCYDTMBSBZTIQG-GFCCVEGCSA-N 1 0 249.402 3.729 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000180103063 538957524 /nfs/dbraw/zinc/95/75/24/538957524.db2.gz VCYDTMBSBZTIQG-LBPRGKRZSA-N 1 0 249.402 3.729 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]CCCCOC)cc1 ZINC000180105061 384441180 /nfs/dbraw/zinc/44/11/80/384441180.db2.gz ULSRSBGIAZMYOX-UHFFFAOYSA-N 1 0 249.398 3.500 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CCCCCCC1 ZINC000180177472 711887527 /nfs/dbraw/zinc/88/75/27/711887527.db2.gz MRXZGDMQXOJCOY-GFCCVEGCSA-N 1 0 249.402 3.729 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000180177488 711887274 /nfs/dbraw/zinc/88/72/74/711887274.db2.gz MRXZGDMQXOJCOY-LBPRGKRZSA-N 1 0 249.402 3.729 20 0 BHADRO CCCO[C@H]1CCC[N@H+](C[C@H](C)CCC)CC1 ZINC000180180490 366390721 /nfs/dbraw/zinc/39/07/21/366390721.db2.gz KYFBSSZARRHKKP-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCO[C@H]1CCC[N@H+](C[C@@H](C)CCC)CC1 ZINC000180180507 366390938 /nfs/dbraw/zinc/39/09/38/366390938.db2.gz KYFBSSZARRHKKP-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO COC1(C[NH2+][C@H](C)c2cccc(C)c2C)CCC1 ZINC000180190067 259306754 /nfs/dbraw/zinc/30/67/54/259306754.db2.gz OQIRSCQDFQIXJM-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2cccc(C)c2C)CCC1 ZINC000180190082 259307099 /nfs/dbraw/zinc/30/70/99/259307099.db2.gz OQIRSCQDFQIXJM-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO CCC[C@H]([NH2+]CC1(OC)CCC1)c1ccccc1 ZINC000180191007 385386022 /nfs/dbraw/zinc/38/60/22/385386022.db2.gz RJSHGQUYYDVLHR-HNNXBMFYSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CC1(OC)CCC1)c1ccccc1 ZINC000180191027 385384904 /nfs/dbraw/zinc/38/49/04/385384904.db2.gz RJSHGQUYYDVLHR-OAHLLOKOSA-N 1 0 247.382 3.687 20 0 BHADRO COC1(C[NH2+][C@H](c2ccccc2)C(C)C)CCC1 ZINC000180192948 385384964 /nfs/dbraw/zinc/38/49/64/385384964.db2.gz UNHQRPPATWUVKP-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO COC1(C[NH2+][C@@H](c2ccccc2)C(C)C)CCC1 ZINC000180192970 385386057 /nfs/dbraw/zinc/38/60/57/385386057.db2.gz UNHQRPPATWUVKP-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)[C@H](C)C2 ZINC000180200075 385514420 /nfs/dbraw/zinc/51/44/20/385514420.db2.gz ZNRCQRREFWIEQZ-MLGOLLRUSA-N 1 0 241.334 3.611 20 0 BHADRO CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(C)cc1 ZINC000180200090 385385236 /nfs/dbraw/zinc/38/52/36/385385236.db2.gz VTMWMWHSWDKLSK-HNNXBMFYSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)[C@H](C)C2 ZINC000180200093 385513812 /nfs/dbraw/zinc/51/38/12/385513812.db2.gz ZNRCQRREFWIEQZ-WBMJQRKESA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)[C@@H](C)C2 ZINC000180200105 385513201 /nfs/dbraw/zinc/51/32/01/385513201.db2.gz ZNRCQRREFWIEQZ-BLLLJJGKSA-N 1 0 241.334 3.611 20 0 BHADRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(C)cc1 ZINC000180200106 385385746 /nfs/dbraw/zinc/38/57/46/385385746.db2.gz VTMWMWHSWDKLSK-OAHLLOKOSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)[C@@H](C)C2 ZINC000180200123 385513552 /nfs/dbraw/zinc/51/35/52/385513552.db2.gz ZNRCQRREFWIEQZ-LRDDRELGSA-N 1 0 241.334 3.611 20 0 BHADRO COC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2)CCC1 ZINC000180201055 385385821 /nfs/dbraw/zinc/38/58/21/385385821.db2.gz UUORNVMJNTZNGW-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CCC1 ZINC000180201071 385384909 /nfs/dbraw/zinc/38/49/09/385384909.db2.gz UUORNVMJNTZNGW-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@H](C)c2ccc(C)cc2C)CCC1 ZINC000180201340 385384873 /nfs/dbraw/zinc/38/48/73/385384873.db2.gz FHIGAVGDKRGEGU-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2ccc(C)cc2C)CCC1 ZINC000180201358 385384907 /nfs/dbraw/zinc/38/49/07/385384907.db2.gz FHIGAVGDKRGEGU-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@H](C)c2cc(C)cc(C)c2)CCC1 ZINC000180201526 385385325 /nfs/dbraw/zinc/38/53/25/385385325.db2.gz JWLPCPRPFYMEDZ-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CCC1 ZINC000180201542 385384994 /nfs/dbraw/zinc/38/49/94/385384994.db2.gz JWLPCPRPFYMEDZ-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180221617 538957415 /nfs/dbraw/zinc/95/74/15/538957415.db2.gz OSKZRWQKOSBRLG-XGNXJENSSA-N 1 0 249.402 3.728 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180221632 538957136 /nfs/dbraw/zinc/95/71/36/538957136.db2.gz OSKZRWQKOSBRLG-LMWSTFAQSA-N 1 0 249.402 3.728 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000180230813 366396960 /nfs/dbraw/zinc/39/69/60/366396960.db2.gz JEPGJGHFBRKFJC-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000180230842 366397908 /nfs/dbraw/zinc/39/79/08/366397908.db2.gz JEPGJGHFBRKFJC-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)CC1CC1 ZINC000180232587 366398541 /nfs/dbraw/zinc/39/85/41/366398541.db2.gz KASJEGGVRHXKFG-CYBMUJFWSA-N 1 0 247.382 3.531 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)CC1CC1 ZINC000180232606 366399251 /nfs/dbraw/zinc/39/92/51/366399251.db2.gz KASJEGGVRHXKFG-ZDUSSCGKSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000180249098 205656320 /nfs/dbraw/zinc/65/63/20/205656320.db2.gz BVWROVPIMDXIKS-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000180249134 385390174 /nfs/dbraw/zinc/39/01/74/385390174.db2.gz BVWROVPIMDXIKS-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000180251362 385388607 /nfs/dbraw/zinc/38/86/07/385388607.db2.gz LELCFRBVAKEVNZ-ZBFHGGJFSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000180251376 385390107 /nfs/dbraw/zinc/39/01/07/385390107.db2.gz LELCFRBVAKEVNZ-HOCLYGCPSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000180251393 205654884 /nfs/dbraw/zinc/65/48/84/205654884.db2.gz 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385394140 /nfs/dbraw/zinc/39/41/40/385394140.db2.gz RMSXNLRQICUTJD-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCCOC(C)C ZINC000180451036 385392460 /nfs/dbraw/zinc/39/24/60/385392460.db2.gz RMSXNLRQICUTJD-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCCOC(C)C ZINC000180451060 385392502 /nfs/dbraw/zinc/39/25/02/385392502.db2.gz RMSXNLRQICUTJD-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCCOC(C)C ZINC000180451074 385394159 /nfs/dbraw/zinc/39/41/59/385394159.db2.gz RMSXNLRQICUTJD-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C)c1ccccc1 ZINC000180452348 167205794 /nfs/dbraw/zinc/20/57/94/167205794.db2.gz KHCJCSGJTJZAMC-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C)c1ccccc1 ZINC000180452362 167206198 /nfs/dbraw/zinc/20/61/98/167206198.db2.gz KHCJCSGJTJZAMC-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000180453340 188049608 /nfs/dbraw/zinc/04/96/08/188049608.db2.gz FKDPZFDZWUFXGW-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000180453354 179195052 /nfs/dbraw/zinc/19/50/52/179195052.db2.gz FKDPZFDZWUFXGW-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CC(C)[NH+](Cc1cccc(F)c1F)C(C)C ZINC000180453531 535097041 /nfs/dbraw/zinc/09/70/41/535097041.db2.gz ZFUUZKMFGHWIPZ-UHFFFAOYSA-N 1 0 227.298 3.584 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCOC(C)C)cc1 ZINC000180454243 387933014 /nfs/dbraw/zinc/93/30/14/387933014.db2.gz ALHHLTULZKNIAQ-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCOC(C)C)cc1 ZINC000180454262 187228415 /nfs/dbraw/zinc/22/84/15/187228415.db2.gz ALHHLTULZKNIAQ-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+]CCCCOC(C)C)c1ccccc1 ZINC000180455060 171519218 /nfs/dbraw/zinc/51/92/18/171519218.db2.gz ZWCPBQILHFFJTK-INIZCTEOSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC(C)C)c1ccccc1 ZINC000180455079 386266641 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/nfs/dbraw/zinc/39/06/86/385390686.db2.gz ZIWNPEWSPFSJBT-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cnc(C[NH2+]C(C)(C)CC(C)(C)C)s1 ZINC000180469422 385391777 /nfs/dbraw/zinc/39/17/77/385391777.db2.gz UILDGYZHKISXQA-UHFFFAOYSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1cccnc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000180498121 366484856 /nfs/dbraw/zinc/48/48/56/366484856.db2.gz OWUVKKVJDZMKRR-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ncc(C)s1 ZINC000180505535 134329721 /nfs/dbraw/zinc/32/97/21/134329721.db2.gz JMMQJZQVMWQMCW-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ncc(C)s1 ZINC000180505557 134329605 /nfs/dbraw/zinc/32/96/05/134329605.db2.gz JMMQJZQVMWQMCW-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCSCC1 ZINC000180508664 205659721 /nfs/dbraw/zinc/65/97/21/205659721.db2.gz OLJVETBTOLZAAG-DGCLKSJQSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCSCC1 ZINC000180508682 385391874 /nfs/dbraw/zinc/39/18/74/385391874.db2.gz OLJVETBTOLZAAG-WCQYABFASA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCSCC1 ZINC000180508693 205658724 /nfs/dbraw/zinc/65/87/24/205658724.db2.gz OLJVETBTOLZAAG-YPMHNXCESA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CCSCC1 ZINC000180508712 385391944 /nfs/dbraw/zinc/39/19/44/385391944.db2.gz OLJVETBTOLZAAG-AAEUAGOBSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CCSCC1 ZINC000180511178 385391161 /nfs/dbraw/zinc/39/11/61/385391161.db2.gz ZGSVQRRNFXWLED-LBPRGKRZSA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000180511198 385390949 /nfs/dbraw/zinc/39/09/49/385390949.db2.gz ZGSVQRRNFXWLED-GFCCVEGCSA-N 1 0 227.417 3.607 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000180512091 385391776 /nfs/dbraw/zinc/39/17/76/385391776.db2.gz VWHINCUOHBRSKL-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000180512128 385391714 /nfs/dbraw/zinc/39/17/14/385391714.db2.gz VWHINCUOHBRSKL-SCRDCRAPSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514683 366490655 /nfs/dbraw/zinc/49/06/55/366490655.db2.gz MZJAZSZCNDKZAW-UHFFFAOYSA-N 1 0 243.272 3.502 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ncc(CC)s1 ZINC000180559038 366508636 /nfs/dbraw/zinc/50/86/36/366508636.db2.gz BHXQRRCTHHXEKY-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ncc(CC)s1 ZINC000180559056 366508471 /nfs/dbraw/zinc/50/84/71/366508471.db2.gz BHXQRRCTHHXEKY-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO Cc1cnc(C[N@@H+](C(C)C)C2CCCC2)s1 ZINC000180577409 711889365 /nfs/dbraw/zinc/88/93/65/711889365.db2.gz QNHPYINKQSSLCA-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000180579321 538958615 /nfs/dbraw/zinc/95/86/15/538958615.db2.gz NASGSFPPHNTCPP-WDEREUQCSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000180579343 538958476 /nfs/dbraw/zinc/95/84/76/538958476.db2.gz NASGSFPPHNTCPP-QWRGUYRKSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000180579358 538958142 /nfs/dbraw/zinc/95/81/42/538958142.db2.gz NASGSFPPHNTCPP-GHMZBOCLSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000180579370 538958556 /nfs/dbraw/zinc/95/85/56/538958556.db2.gz NASGSFPPHNTCPP-MNOVXSKESA-N 1 0 237.391 3.584 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ncc(C)s1 ZINC000180594694 168316969 /nfs/dbraw/zinc/31/69/69/168316969.db2.gz UAMKZDGLJQRBDK-UHFFFAOYSA-N 1 0 226.389 3.510 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCC1CCCC1 ZINC000180670864 538958751 /nfs/dbraw/zinc/95/87/51/538958751.db2.gz ZUHINVMRWYQDIH-GFCCVEGCSA-N 1 0 249.402 3.729 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000180670882 538117731 /nfs/dbraw/zinc/11/77/31/538117731.db2.gz ZUHINVMRWYQDIH-LBPRGKRZSA-N 1 0 249.402 3.729 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cn1 ZINC000180699338 134330996 /nfs/dbraw/zinc/33/09/96/134330996.db2.gz LJJHQHAOCZCVDK-NFAWXSAZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cn1 ZINC000180699359 134331039 /nfs/dbraw/zinc/33/10/39/134331039.db2.gz LJJHQHAOCZCVDK-KCQAQPDRSA-N 1 0 249.402 3.693 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000180708692 538958916 /nfs/dbraw/zinc/95/89/16/538958916.db2.gz AWHCISQWUDGCHH-COPLHBTASA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000180708737 538958943 /nfs/dbraw/zinc/95/89/43/538958943.db2.gz AWHCISQWUDGCHH-MJVIPROJSA-N 1 0 249.402 3.584 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000180712803 538959112 /nfs/dbraw/zinc/95/91/12/538959112.db2.gz OZINIXCYSRHFFC-WCQYABFASA-N 1 0 237.391 3.728 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000180712820 538958853 /nfs/dbraw/zinc/95/88/53/538958853.db2.gz OZINIXCYSRHFFC-AAEUAGOBSA-N 1 0 237.391 3.728 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)c1c[nH]nc1C ZINC000180712840 538959198 /nfs/dbraw/zinc/95/91/98/538959198.db2.gz OZINIXCYSRHFFC-DGCLKSJQSA-N 1 0 237.391 3.728 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)c1c[nH]nc1C ZINC000180712855 538959268 /nfs/dbraw/zinc/95/92/68/538959268.db2.gz OZINIXCYSRHFFC-YPMHNXCESA-N 1 0 237.391 3.728 20 0 BHADRO CCCCCSCCCCn1ccnc1C ZINC000180735817 366541979 /nfs/dbraw/zinc/54/19/79/366541979.db2.gz UJTUMGNNIMWOJG-UHFFFAOYSA-N 1 0 240.416 3.895 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(F)c(Cl)c1 ZINC000180741947 642812139 /nfs/dbraw/zinc/81/21/39/642812139.db2.gz VHQPBOHYBDAZMV-NCJLJLRUSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)c(Cl)c1 ZINC000180741966 642812216 /nfs/dbraw/zinc/81/22/16/642812216.db2.gz VHQPBOHYBDAZMV-IBDUZEINSA-N 1 0 248.128 3.882 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000180756481 538958782 /nfs/dbraw/zinc/95/87/82/538958782.db2.gz DOCRDGWNJOWZCQ-GFCCVEGCSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000180756501 538959043 /nfs/dbraw/zinc/95/90/43/538959043.db2.gz DOCRDGWNJOWZCQ-LBPRGKRZSA-N 1 0 249.402 3.585 20 0 BHADRO CC(C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180757202 134331320 /nfs/dbraw/zinc/33/13/20/134331320.db2.gz FMZQJNZYQBKYTK-UHFFFAOYSA-N 1 0 231.295 3.570 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)CCC2CC2)cc1 ZINC000180766975 366546459 /nfs/dbraw/zinc/54/64/59/366546459.db2.gz DCERJQPVKNPNFO-ZDUSSCGKSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)CCC2CC2)cc1 ZINC000180766991 366545654 /nfs/dbraw/zinc/54/56/54/366545654.db2.gz DCERJQPVKNPNFO-CYBMUJFWSA-N 1 0 247.382 3.531 20 0 BHADRO c1cc(Oc2ccccc2)oc1C[NH+]1CCCC1 ZINC000180781103 134331702 /nfs/dbraw/zinc/33/17/02/134331702.db2.gz VTAHEWUOOLEMCW-UHFFFAOYSA-N 1 0 243.306 3.668 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000180786090 538959238 /nfs/dbraw/zinc/95/92/38/538959238.db2.gz LXMVTRNWZNRZKA-LMWSTFAQSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000180786113 538959062 /nfs/dbraw/zinc/95/90/62/538959062.db2.gz LXMVTRNWZNRZKA-XGNXJENSSA-N 1 0 249.402 3.584 20 0 BHADRO c1cc(Oc2ccccc2)oc1C[NH2+]CC1CC1 ZINC000180788919 256521430 /nfs/dbraw/zinc/52/14/30/256521430.db2.gz GTWSLCLCBCBMDM-UHFFFAOYSA-N 1 0 243.306 3.572 20 0 BHADRO CC(C)([NH2+]C1CCCC1)c1ccc(F)c(F)c1 ZINC000180862324 366555086 /nfs/dbraw/zinc/55/50/86/366555086.db2.gz PGRDNKWIWNNAAI-UHFFFAOYSA-N 1 0 239.309 3.732 20 0 BHADRO c1ccc(C[N@@H+](CCC2CCCC2)C2CC2)nc1 ZINC000180865993 134331594 /nfs/dbraw/zinc/33/15/94/134331594.db2.gz RPLKRARMZFYZSW-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CC(C)([NH2+]C/C=C/Cl)c1ccc(F)c(F)c1 ZINC000180878649 642820410 /nfs/dbraw/zinc/82/04/10/642820410.db2.gz WMRFVUTYOOINCO-ZZXKWVIFSA-N 1 0 245.700 3.542 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000180896428 385554262 /nfs/dbraw/zinc/55/42/62/385554262.db2.gz WABWNADJTAFHBI-NSHDSACASA-N 1 0 232.327 3.621 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000180896447 385554537 /nfs/dbraw/zinc/55/45/37/385554537.db2.gz WABWNADJTAFHBI-LLVKDONJSA-N 1 0 232.327 3.621 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000180938301 177104024 /nfs/dbraw/zinc/10/40/24/177104024.db2.gz DOQVCEGFXVGXKH-RYUDHWBXSA-N 1 0 244.338 3.621 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C)CC1 ZINC000180939608 168186334 /nfs/dbraw/zinc/18/63/34/168186334.db2.gz JFQMLZNEKINAJJ-LBPRGKRZSA-N 1 0 244.338 3.621 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C)CC1 ZINC000180939626 168186541 /nfs/dbraw/zinc/18/65/41/168186541.db2.gz JFQMLZNEKINAJJ-GFCCVEGCSA-N 1 0 244.338 3.621 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000180941400 538959401 /nfs/dbraw/zinc/95/94/01/538959401.db2.gz RHHHPTYSUNXEKS-NSHDSACASA-N 1 0 237.391 3.585 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000180941418 538959653 /nfs/dbraw/zinc/95/96/53/538959653.db2.gz RHHHPTYSUNXEKS-LLVKDONJSA-N 1 0 237.391 3.585 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCCCCC1 ZINC000180952836 176039733 /nfs/dbraw/zinc/03/97/33/176039733.db2.gz AMAFSULQMFPDGQ-LBPRGKRZSA-N 1 0 244.338 3.765 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCCCCC1 ZINC000180952854 177054543 /nfs/dbraw/zinc/05/45/43/177054543.db2.gz AMAFSULQMFPDGQ-GFCCVEGCSA-N 1 0 244.338 3.765 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1nc2ccccc2o1 ZINC000180967852 259346132 /nfs/dbraw/zinc/34/61/32/259346132.db2.gz FBFOKKJJUGMCPQ-LBPRGKRZSA-N 1 0 246.354 3.867 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1nc2ccccc2o1 ZINC000180967872 259346178 /nfs/dbraw/zinc/34/61/78/259346178.db2.gz FBFOKKJJUGMCPQ-GFCCVEGCSA-N 1 0 246.354 3.867 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000180983130 538959494 /nfs/dbraw/zinc/95/94/94/538959494.db2.gz VREODYDVMYCQKD-LBPRGKRZSA-N 1 0 246.354 3.867 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000180983152 538959582 /nfs/dbraw/zinc/95/95/82/538959582.db2.gz VREODYDVMYCQKD-GFCCVEGCSA-N 1 0 246.354 3.867 20 0 BHADRO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000180985858 188168399 /nfs/dbraw/zinc/16/83/99/188168399.db2.gz YUHGNMNRHFVBGG-DZGCQCFKSA-N 1 0 243.350 3.599 20 0 BHADRO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000180985878 188345104 /nfs/dbraw/zinc/34/51/04/188345104.db2.gz YUHGNMNRHFVBGG-ZFWWWQNUSA-N 1 0 243.350 3.599 20 0 BHADRO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000180985899 187308962 /nfs/dbraw/zinc/30/89/62/187308962.db2.gz YUHGNMNRHFVBGG-UKRRQHHQSA-N 1 0 243.350 3.599 20 0 BHADRO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000180985920 188168381 /nfs/dbraw/zinc/16/83/81/188168381.db2.gz YUHGNMNRHFVBGG-HIFRSBDPSA-N 1 0 243.350 3.599 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000181008318 538959557 /nfs/dbraw/zinc/95/95/57/538959557.db2.gz HHILRNJUQXBWND-LLVKDONJSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000181008337 538959478 /nfs/dbraw/zinc/95/94/78/538959478.db2.gz HHILRNJUQXBWND-NSHDSACASA-N 1 0 249.402 3.585 20 0 BHADRO FCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000181009302 366781398 /nfs/dbraw/zinc/78/13/98/366781398.db2.gz KZZURJOIHOAVKR-UHFFFAOYSA-N 1 0 249.285 3.521 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000181028638 538959394 /nfs/dbraw/zinc/95/93/94/538959394.db2.gz QEACRIIXCOOLHU-LLVKDONJSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000181028656 538959634 /nfs/dbraw/zinc/95/96/34/538959634.db2.gz QEACRIIXCOOLHU-NSHDSACASA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000181064568 538959553 /nfs/dbraw/zinc/95/95/53/538959553.db2.gz MZRLZUINNAHODF-GFCCVEGCSA-N 1 0 249.402 3.729 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000181064586 538959408 /nfs/dbraw/zinc/95/94/08/538959408.db2.gz MZRLZUINNAHODF-LBPRGKRZSA-N 1 0 249.402 3.729 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CCCF)c1cccc(F)c1 ZINC000181071271 366783794 /nfs/dbraw/zinc/78/37/94/366783794.db2.gz BPXIXHBSUNWGRS-CYBMUJFWSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CCCF)c1cccc(F)c1 ZINC000181071289 347046844 /nfs/dbraw/zinc/04/68/44/347046844.db2.gz BPXIXHBSUNWGRS-ZDUSSCGKSA-N 1 0 241.325 3.862 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181106497 384442648 /nfs/dbraw/zinc/44/26/48/384442648.db2.gz RBEBQXBCGNZBGS-NEPJUHHUSA-N 1 0 246.354 3.867 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181106517 384443592 /nfs/dbraw/zinc/44/35/92/384443592.db2.gz RBEBQXBCGNZBGS-RYUDHWBXSA-N 1 0 246.354 3.867 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[N@H+](C)CC1CCC1 ZINC000181107292 134333618 /nfs/dbraw/zinc/33/36/18/134333618.db2.gz NLVKMNPXRFQOPS-NSHDSACASA-N 1 0 244.338 3.621 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@H+](C)CC1CCC1 ZINC000181107309 134333697 /nfs/dbraw/zinc/33/36/97/134333697.db2.gz NLVKMNPXRFQOPS-LLVKDONJSA-N 1 0 244.338 3.621 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1nc2ccccc2o1 ZINC000181108172 385563697 /nfs/dbraw/zinc/56/36/97/385563697.db2.gz OTMCBEVXCFQPOJ-NSHDSACASA-N 1 0 244.338 3.621 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1nc2ccccc2o1 ZINC000181108189 385563758 /nfs/dbraw/zinc/56/37/58/385563758.db2.gz OTMCBEVXCFQPOJ-LLVKDONJSA-N 1 0 244.338 3.621 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000181112880 384446840 /nfs/dbraw/zinc/44/68/40/384446840.db2.gz XOSIQTRYQGMCIJ-CQSZACIVSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H](C)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000181112897 384446946 /nfs/dbraw/zinc/44/69/46/384446946.db2.gz XOSIQTRYQGMCIJ-AWEZNQCLSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC(C)(C)C1 ZINC000181125650 177054006 /nfs/dbraw/zinc/05/40/06/177054006.db2.gz COPXUGZJLATJDG-LLVKDONJSA-N 1 0 244.338 3.621 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181131049 384449270 /nfs/dbraw/zinc/44/92/70/384449270.db2.gz VNRNLEKKSPSVBK-CZUORRHYSA-N 1 0 246.398 3.688 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181131067 384448933 /nfs/dbraw/zinc/44/89/33/384448933.db2.gz VNRNLEKKSPSVBK-XJKSGUPXSA-N 1 0 246.398 3.688 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000181132691 366787523 /nfs/dbraw/zinc/78/75/23/366787523.db2.gz OQAOVNIXNBMRNR-CQSZACIVSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000181132712 366787673 /nfs/dbraw/zinc/78/76/73/366787673.db2.gz OQAOVNIXNBMRNR-AWEZNQCLSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000181134675 177170060 /nfs/dbraw/zinc/17/00/60/177170060.db2.gz LHLVNMCHWQRGND-TUAOUCFPSA-N 1 0 244.338 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181144256 171013482 /nfs/dbraw/zinc/01/34/82/171013482.db2.gz PUBFRLUWMIGDBN-NWDGAFQWSA-N 1 0 244.338 3.621 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181144271 385565498 /nfs/dbraw/zinc/56/54/98/385565498.db2.gz PUBFRLUWMIGDBN-RYUDHWBXSA-N 1 0 244.338 3.621 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@H+](C)CCC1CC1 ZINC000181185969 177054169 /nfs/dbraw/zinc/05/41/69/177054169.db2.gz GSDZDWFXIQSDSK-LLVKDONJSA-N 1 0 244.338 3.621 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000181242093 535296647 /nfs/dbraw/zinc/29/66/47/535296647.db2.gz CSRKYIWGHVJICF-CQSZACIVSA-N 1 0 245.366 3.680 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000181242112 134334716 /nfs/dbraw/zinc/33/47/16/134334716.db2.gz CSRKYIWGHVJICF-AWEZNQCLSA-N 1 0 245.366 3.680 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000181242289 385404348 /nfs/dbraw/zinc/40/43/48/385404348.db2.gz OMQPTTNAFCQZOT-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000181242301 205662741 /nfs/dbraw/zinc/66/27/41/205662741.db2.gz OMQPTTNAFCQZOT-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCOc3ccccc32)CCC1 ZINC000181243315 134334801 /nfs/dbraw/zinc/33/48/01/134334801.db2.gz JUXCKYSFFYDRBW-CQSZACIVSA-N 1 0 245.366 3.680 20 0 BHADRO CC1(C[NH2+][C@H]2CCCOc3ccccc32)CCC1 ZINC000181243326 134334362 /nfs/dbraw/zinc/33/43/62/134334362.db2.gz JUXCKYSFFYDRBW-AWEZNQCLSA-N 1 0 245.366 3.680 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CC2(C)CCC2)s1 ZINC000181243513 347054205 /nfs/dbraw/zinc/05/42/05/347054205.db2.gz VMGNDLMIGKFVIL-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CC2(C)CCC2)s1 ZINC000181243528 385404567 /nfs/dbraw/zinc/40/45/67/385404567.db2.gz VMGNDLMIGKFVIL-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C(C)C)CCO1 ZINC000181277286 256588223 /nfs/dbraw/zinc/58/82/23/256588223.db2.gz BDQMIDSQIRSFJT-CFVMTHIKSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(C)C)CCO1 ZINC000181277313 384484269 /nfs/dbraw/zinc/48/42/69/384484269.db2.gz BDQMIDSQIRSFJT-QEJZJMRPSA-N 1 0 241.419 3.604 20 0 BHADRO CCCCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000181302508 633078650 /nfs/dbraw/zinc/07/86/50/633078650.db2.gz BHGMUJPTHOUNGM-UHFFFAOYSA-N 1 0 232.371 3.626 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cnn(CC)c2)CCC1 ZINC000181306445 134335121 /nfs/dbraw/zinc/33/51/21/134335121.db2.gz RZQBLOGYMFHZSG-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cnn(CC)c2)CCC1 ZINC000181306464 168601080 /nfs/dbraw/zinc/60/10/80/168601080.db2.gz RZQBLOGYMFHZSG-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)CCCOC ZINC000181307886 385570044 /nfs/dbraw/zinc/57/00/44/385570044.db2.gz YZODZTVIEWJZJJ-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)CCCOC ZINC000181307905 385407122 /nfs/dbraw/zinc/40/71/22/385407122.db2.gz YZODZTVIEWJZJJ-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1ccccc1 ZINC000181357359 633083336 /nfs/dbraw/zinc/08/33/36/633083336.db2.gz JNEWUKPQULADCH-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccccc1 ZINC000181357377 633082287 /nfs/dbraw/zinc/08/22/87/633082287.db2.gz JNEWUKPQULADCH-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccccc1 ZINC000181362157 642866707 /nfs/dbraw/zinc/86/67/07/642866707.db2.gz FBHNTNIVDDEDBU-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)nc1 ZINC000181367999 633084469 /nfs/dbraw/zinc/08/44/69/633084469.db2.gz SSLRQZHQGYVYQP-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)nc1 ZINC000181368016 642867413 /nfs/dbraw/zinc/86/74/13/642867413.db2.gz SSLRQZHQGYVYQP-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1F ZINC000181371521 642866584 /nfs/dbraw/zinc/86/65/84/642866584.db2.gz FQDKBXKVHPJAMN-QLCVYAKKSA-N 1 0 227.710 3.537 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1F ZINC000181371539 642867457 /nfs/dbraw/zinc/86/74/57/642867457.db2.gz FQDKBXKVHPJAMN-YVGDHZEHSA-N 1 0 227.710 3.537 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccoc1 ZINC000181387639 366807093 /nfs/dbraw/zinc/80/70/93/366807093.db2.gz WPGCMELRDOUJFQ-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccoc1 ZINC000181387661 366807021 /nfs/dbraw/zinc/80/70/21/366807021.db2.gz WPGCMELRDOUJFQ-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CCOc1cccc2cc([C@@H](C)[NH2+]C3CC3)oc21 ZINC000181387664 366806967 /nfs/dbraw/zinc/80/69/67/366806967.db2.gz AYYSCHUXLIFVSJ-SNVBAGLBSA-N 1 0 245.322 3.645 20 0 BHADRO CCOc1cccc2cc([C@H](C)[NH2+]C3CC3)oc21 ZINC000181387683 366806898 /nfs/dbraw/zinc/80/68/98/366806898.db2.gz AYYSCHUXLIFVSJ-JTQLQIEISA-N 1 0 245.322 3.645 20 0 BHADRO COCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181392199 366807408 /nfs/dbraw/zinc/80/74/08/366807408.db2.gz UROSLEXVAIGMLA-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181392215 366806888 /nfs/dbraw/zinc/80/68/88/366806888.db2.gz UROSLEXVAIGMLA-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000181411712 385407611 /nfs/dbraw/zinc/40/76/11/385407611.db2.gz JTZOWNVVZYYNQN-LZWOXQAQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000181411732 205665071 /nfs/dbraw/zinc/66/50/71/205665071.db2.gz JTZOWNVVZYYNQN-DZKIICNBSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000181411750 385407916 /nfs/dbraw/zinc/40/79/16/385407916.db2.gz JTZOWNVVZYYNQN-SQWLQELKSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000181411769 385407606 /nfs/dbraw/zinc/40/76/06/385407606.db2.gz JTZOWNVVZYYNQN-OFQRWUPVSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1cccc(Cl)c1 ZINC000181420692 642870568 /nfs/dbraw/zinc/87/05/68/642870568.db2.gz LCFBIIRQZLUYTL-SWTNXBIASA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1cccc(Cl)c1 ZINC000181420712 642870638 /nfs/dbraw/zinc/87/06/38/642870638.db2.gz LCFBIIRQZLUYTL-BSPAPZMXSA-N 1 0 230.138 3.743 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCc1ccccn1 ZINC000181487702 366814506 /nfs/dbraw/zinc/81/45/06/366814506.db2.gz QGGHROFWLKNHDX-GDBMZVCRSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCc1ccccn1 ZINC000181487718 366814610 /nfs/dbraw/zinc/81/46/10/366814610.db2.gz QGGHROFWLKNHDX-GOEBONIOSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCc1ccccn1 ZINC000181487734 366814363 /nfs/dbraw/zinc/81/43/63/366814363.db2.gz QGGHROFWLKNHDX-ZBFHGGJFSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCc1ccccn1 ZINC000181487752 366814559 /nfs/dbraw/zinc/81/45/59/366814559.db2.gz QGGHROFWLKNHDX-HOCLYGCPSA-N 1 0 248.414 3.819 20 0 BHADRO C[N@H+](CCCC1CCCC1)CCc1ccncc1 ZINC000181491073 536328753 /nfs/dbraw/zinc/32/87/53/536328753.db2.gz WYQUUNSCXINWLD-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccn1)C1CCCCC1 ZINC000181495712 176845580 /nfs/dbraw/zinc/84/55/80/176845580.db2.gz DSVFGNQBAXYEPD-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccn1)C1CCCCC1 ZINC000181495728 175877852 /nfs/dbraw/zinc/87/78/52/175877852.db2.gz DSVFGNQBAXYEPD-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CCOCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181523464 366819504 /nfs/dbraw/zinc/81/95/04/366819504.db2.gz INDXNUSCUCKRKF-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181523483 366819674 /nfs/dbraw/zinc/81/96/74/366819674.db2.gz INDXNUSCUCKRKF-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CCSCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000181525543 346755889 /nfs/dbraw/zinc/75/58/89/346755889.db2.gz OYBOBXJYJGWIEG-OLZOCXBDSA-N 1 0 237.412 3.521 20 0 BHADRO CCSCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000181525562 346755959 /nfs/dbraw/zinc/75/59/59/346755959.db2.gz OYBOBXJYJGWIEG-CHWSQXEVSA-N 1 0 237.412 3.521 20 0 BHADRO CCSCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000181525580 346756005 /nfs/dbraw/zinc/75/60/05/346756005.db2.gz OYBOBXJYJGWIEG-STQMWFEESA-N 1 0 237.412 3.521 20 0 BHADRO CCSCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000181525600 346755702 /nfs/dbraw/zinc/75/57/02/346755702.db2.gz OYBOBXJYJGWIEG-QWHCGFSZSA-N 1 0 237.412 3.521 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@H+](C)CC(C)(C)O)cc1 ZINC000181550292 366824979 /nfs/dbraw/zinc/82/49/79/366824979.db2.gz PDJCZCBQTKEQAT-CYBMUJFWSA-N 1 0 249.398 3.574 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@H+](C)CC(C)(C)O)cc1 ZINC000181550307 366825758 /nfs/dbraw/zinc/82/57/58/366825758.db2.gz PDJCZCBQTKEQAT-ZDUSSCGKSA-N 1 0 249.398 3.574 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCCCCCO ZINC000181560098 633825969 /nfs/dbraw/zinc/82/59/69/633825969.db2.gz CLVDWLSNUTYTJH-OAHLLOKOSA-N 1 0 249.398 3.588 20 0 BHADRO CC(C)[C@H]([NH2+]CCCF)c1ccc(F)c(F)c1 ZINC000181611572 366832124 /nfs/dbraw/zinc/83/21/24/366832124.db2.gz JYIBEASPHYHWSC-ZDUSSCGKSA-N 1 0 245.288 3.611 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCF)c1ccc(F)c(F)c1 ZINC000181611589 366832364 /nfs/dbraw/zinc/83/23/64/366832364.db2.gz JYIBEASPHYHWSC-CYBMUJFWSA-N 1 0 245.288 3.611 20 0 BHADRO Cc1csc([C@H]([NH2+]CCC(C)C)C2CC2)n1 ZINC000181618225 385411951 /nfs/dbraw/zinc/41/19/51/385411951.db2.gz GIZAUDRHLSOPDD-GFCCVEGCSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@@H]([NH2+]CCC(C)C)C2CC2)n1 ZINC000181618246 385411991 /nfs/dbraw/zinc/41/19/91/385411991.db2.gz GIZAUDRHLSOPDD-LBPRGKRZSA-N 1 0 238.400 3.538 20 0 BHADRO CC(C)[C@H]([NH2+]CCCF)c1ccc(F)cc1F ZINC000181653462 347067559 /nfs/dbraw/zinc/06/75/59/347067559.db2.gz UWNOHCCUROBFRR-ZDUSSCGKSA-N 1 0 245.288 3.611 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCF)c1ccc(F)cc1F ZINC000181653482 366835847 /nfs/dbraw/zinc/83/58/47/366835847.db2.gz UWNOHCCUROBFRR-CYBMUJFWSA-N 1 0 245.288 3.611 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000181654668 385411018 /nfs/dbraw/zinc/41/10/18/385411018.db2.gz JLGLDNQWULGRQC-HNNXBMFYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000181654687 385411856 /nfs/dbraw/zinc/41/18/56/385411856.db2.gz JLGLDNQWULGRQC-OAHLLOKOSA-N 1 0 245.341 3.593 20 0 BHADRO Cc1oncc1C[N@@H+](C)C1CCCCCCC1 ZINC000181667362 642894661 /nfs/dbraw/zinc/89/46/61/642894661.db2.gz FTWNQBLMWRCRBH-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1oncc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000181675103 387936456 /nfs/dbraw/zinc/93/64/56/387936456.db2.gz KONONPXDEDGYGU-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CCC[C@H]([NH2+]CCCF)c1ccc(F)cc1F ZINC000181678117 366837602 /nfs/dbraw/zinc/83/76/02/366837602.db2.gz QUYXHSVIVSOUTE-ZDUSSCGKSA-N 1 0 245.288 3.755 20 0 BHADRO CCC[C@@H]([NH2+]CCCF)c1ccc(F)cc1F ZINC000181678130 366838128 /nfs/dbraw/zinc/83/81/28/366838128.db2.gz QUYXHSVIVSOUTE-CYBMUJFWSA-N 1 0 245.288 3.755 20 0 BHADRO Cc1oncc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000181679696 366837726 /nfs/dbraw/zinc/83/77/26/366837726.db2.gz CLOINQKMSDYMHW-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO COCCC[C@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000181688652 366840045 /nfs/dbraw/zinc/84/00/45/366840045.db2.gz CFQXGTOPXRBPCX-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000181688673 366839683 /nfs/dbraw/zinc/83/96/83/366839683.db2.gz CFQXGTOPXRBPCX-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCCCCCO)c1ccc(C)cc1 ZINC000181709682 642897053 /nfs/dbraw/zinc/89/70/53/642897053.db2.gz JYRZJCVLBAACQX-INIZCTEOSA-N 1 0 249.398 3.588 20 0 BHADRO CC[C@@H]([NH2+]CCCCCCO)c1ccc(C)cc1 ZINC000181709695 642896920 /nfs/dbraw/zinc/89/69/20/642896920.db2.gz JYRZJCVLBAACQX-MRXNPFEDSA-N 1 0 249.398 3.588 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000181755617 397832271 /nfs/dbraw/zinc/83/22/71/397832271.db2.gz CULKKQRUECTFCZ-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000181755638 397832277 /nfs/dbraw/zinc/83/22/77/397832277.db2.gz CULKKQRUECTFCZ-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000181755655 397832361 /nfs/dbraw/zinc/83/23/61/397832361.db2.gz CULKKQRUECTFCZ-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000181755672 397832263 /nfs/dbraw/zinc/83/22/63/397832263.db2.gz CULKKQRUECTFCZ-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](NC/C=C/Cl)c1c(F)cccc1Cl ZINC000181760494 642899064 /nfs/dbraw/zinc/89/90/64/642899064.db2.gz NZRJFYHPYSKBFH-HFSLJOEWSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H](NC/C=C/Cl)c1c(F)cccc1Cl ZINC000181760511 642899923 /nfs/dbraw/zinc/89/99/23/642899923.db2.gz NZRJFYHPYSKBFH-GWSCVKMXSA-N 1 0 248.128 3.882 20 0 BHADRO CCC[C@H](NCc1ncc(C)o1)c1ccccc1 ZINC000181776241 385602885 /nfs/dbraw/zinc/60/28/85/385602885.db2.gz LUKIJYUXBNJRAA-AWEZNQCLSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H](NCc1ncc(C)o1)c1ccccc1 ZINC000181776258 385602261 /nfs/dbraw/zinc/60/22/61/385602261.db2.gz LUKIJYUXBNJRAA-CQSZACIVSA-N 1 0 244.338 3.614 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000181789410 187309177 /nfs/dbraw/zinc/30/91/77/187309177.db2.gz BSBYKFBGFDIHIW-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000181789432 187309029 /nfs/dbraw/zinc/30/90/29/187309029.db2.gz BSBYKFBGFDIHIW-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO COCCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000181827284 536665100 /nfs/dbraw/zinc/66/51/00/536665100.db2.gz CRSRDACXINKIIE-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000181827304 134339963 /nfs/dbraw/zinc/33/99/63/134339963.db2.gz CRSRDACXINKIIE-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]Cc1cncc(C)c1)c1cccs1 ZINC000181828129 259365214 /nfs/dbraw/zinc/36/52/14/259365214.db2.gz JBXFEGYQKIPVEH-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncc(C)c1)c1cccs1 ZINC000181828280 259365242 /nfs/dbraw/zinc/36/52/42/259365242.db2.gz JBXFEGYQKIPVEH-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cncc(C)c1 ZINC000181831551 366850165 /nfs/dbraw/zinc/85/01/65/366850165.db2.gz MMDWEXAKVTVXSI-UKRRQHHQSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cncc(C)c1 ZINC000181831572 366850762 /nfs/dbraw/zinc/85/07/62/366850762.db2.gz MMDWEXAKVTVXSI-DZGCQCFKSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cncc(C)c1 ZINC000181831592 366850693 /nfs/dbraw/zinc/85/06/93/366850693.db2.gz MMDWEXAKVTVXSI-HIFRSBDPSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cncc(C)c1 ZINC000181831612 366850123 /nfs/dbraw/zinc/85/01/23/366850123.db2.gz MMDWEXAKVTVXSI-ZFWWWQNUSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H]([NH2+]Cc1cncc(C)c1)C1CCCCC1 ZINC000181832846 259365234 /nfs/dbraw/zinc/36/52/34/259365234.db2.gz YULZYHSOUIDJES-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncc(C)c1)C1CCCCC1 ZINC000181832869 259365249 /nfs/dbraw/zinc/36/52/49/259365249.db2.gz YULZYHSOUIDJES-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)cc1 ZINC000181835315 385611563 /nfs/dbraw/zinc/61/15/63/385611563.db2.gz WWACHVHGODPJSL-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(C)c2)cc1 ZINC000181835335 385611741 /nfs/dbraw/zinc/61/17/41/385611741.db2.gz WWACHVHGODPJSL-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)s1 ZINC000181838581 259365122 /nfs/dbraw/zinc/36/51/22/259365122.db2.gz USPVHUQJAHOCPY-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(C)c2)s1 ZINC000181838604 259365139 /nfs/dbraw/zinc/36/51/39/259365139.db2.gz USPVHUQJAHOCPY-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181875003 366852856 /nfs/dbraw/zinc/85/28/56/366852856.db2.gz GZRIBJJCCKVAMI-AWEZNQCLSA-N 1 0 246.398 3.738 20 0 BHADRO CCCC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181875021 366853098 /nfs/dbraw/zinc/85/30/98/366853098.db2.gz GZRIBJJCCKVAMI-CQSZACIVSA-N 1 0 246.398 3.738 20 0 BHADRO CC(C)=CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000181883571 385613616 /nfs/dbraw/zinc/61/36/16/385613616.db2.gz PEQPSELALJQNKN-HNNXBMFYSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)=CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000181883596 385613536 /nfs/dbraw/zinc/61/35/36/385613536.db2.gz PEQPSELALJQNKN-OAHLLOKOSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000181915142 366854554 /nfs/dbraw/zinc/85/45/54/366854554.db2.gz SNGCMSCUZHQIAK-ZIAGYGMSSA-N 1 0 249.398 3.574 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000181915162 366854387 /nfs/dbraw/zinc/85/43/87/366854387.db2.gz SNGCMSCUZHQIAK-KGLIPLIRSA-N 1 0 249.398 3.574 20 0 BHADRO c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CCCC1 ZINC000181996659 366859118 /nfs/dbraw/zinc/85/91/18/366859118.db2.gz LFITXTZUHZXBLM-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CCCC1 ZINC000181996680 366859018 /nfs/dbraw/zinc/85/90/18/366859018.db2.gz LFITXTZUHZXBLM-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CCCO2 ZINC000181996706 366859142 /nfs/dbraw/zinc/85/91/42/366859142.db2.gz WTCXONFTPLLGSE-OAHLLOKOSA-N 1 0 245.366 3.741 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CCCO2 ZINC000181996722 366858715 /nfs/dbraw/zinc/85/87/15/366858715.db2.gz WTCXONFTPLLGSE-HNNXBMFYSA-N 1 0 245.366 3.741 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCCC1 ZINC000181996934 366858773 /nfs/dbraw/zinc/85/87/73/366858773.db2.gz LVRMITOECYMMAJ-HNNXBMFYSA-N 1 0 245.366 3.741 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCCC1 ZINC000181996954 366858977 /nfs/dbraw/zinc/85/89/77/366858977.db2.gz LVRMITOECYMMAJ-OAHLLOKOSA-N 1 0 245.366 3.741 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181997755 259376149 /nfs/dbraw/zinc/37/61/49/259376149.db2.gz QRRULRJLJXXUBV-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000181997773 385427536 /nfs/dbraw/zinc/42/75/36/385427536.db2.gz QRRULRJLJXXUBV-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999363 366858883 /nfs/dbraw/zinc/85/88/83/366858883.db2.gz XDBXNLYQQXFZMR-WDEREUQCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999379 366858841 /nfs/dbraw/zinc/85/88/41/366858841.db2.gz XDBXNLYQQXFZMR-GHMZBOCLSA-N 1 0 237.293 3.724 20 0 BHADRO FCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000182028688 366860430 /nfs/dbraw/zinc/86/04/30/366860430.db2.gz JTTCZYWXPXNEHJ-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO FCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000182028706 366859822 /nfs/dbraw/zinc/85/98/22/366859822.db2.gz JTTCZYWXPXNEHJ-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000182062346 169358130 /nfs/dbraw/zinc/35/81/30/169358130.db2.gz KZKZGPBNDONJLZ-OLZOCXBDSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000182062369 385633487 /nfs/dbraw/zinc/63/34/87/385633487.db2.gz KZKZGPBNDONJLZ-STQMWFEESA-N 1 0 220.360 3.511 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC=CCC1)Cc1ccccc1 ZINC000182064234 366863145 /nfs/dbraw/zinc/86/31/45/366863145.db2.gz FOWPRSSSMISMMF-HOCLYGCPSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC=CCC1)Cc1ccccc1 ZINC000182064254 366863290 /nfs/dbraw/zinc/86/32/90/366863290.db2.gz FOWPRSSSMISMMF-ZBFHGGJFSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC=CCC1)Cc1ccccc1 ZINC000182064267 345059381 /nfs/dbraw/zinc/05/93/81/345059381.db2.gz FOWPRSSSMISMMF-GOEBONIOSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC=CCC1)Cc1ccccc1 ZINC000182064287 366863159 /nfs/dbraw/zinc/86/31/59/366863159.db2.gz FOWPRSSSMISMMF-GDBMZVCRSA-N 1 0 229.367 3.564 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182067902 385632691 /nfs/dbraw/zinc/63/26/91/385632691.db2.gz VWAYWPHSBCMQDV-UTUOFQBUSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182067923 171366502 /nfs/dbraw/zinc/36/65/02/171366502.db2.gz VWAYWPHSBCMQDV-TUAOUCFPSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182067940 385633396 /nfs/dbraw/zinc/63/33/96/385633396.db2.gz VWAYWPHSBCMQDV-WOPDTQHZSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182068067 171390369 /nfs/dbraw/zinc/39/03/69/171390369.db2.gz VWAYWPHSBCMQDV-SRVKXCTJSA-N 1 0 246.354 3.913 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1cocn1 ZINC000182069707 366864804 /nfs/dbraw/zinc/86/48/04/366864804.db2.gz VUDCKIMMAFLGTP-LBPRGKRZSA-N 1 0 236.359 3.513 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]Cc1cocn1 ZINC000182069722 347082794 /nfs/dbraw/zinc/08/27/94/347082794.db2.gz VUDCKIMMAFLGTP-GFCCVEGCSA-N 1 0 236.359 3.513 20 0 BHADRO CO[C@@H](C)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000182070652 366864684 /nfs/dbraw/zinc/86/46/84/366864684.db2.gz UKSQXLDCUYGDGR-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000182070669 366865108 /nfs/dbraw/zinc/86/51/08/366865108.db2.gz UKSQXLDCUYGDGR-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)(C)C[NH+](Cc1ccon1)CC(C)(C)C ZINC000182078610 366866507 /nfs/dbraw/zinc/86/65/07/366866507.db2.gz BIRMSGZZMKWTBF-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1 ZINC000182124578 347086320 /nfs/dbraw/zinc/08/63/20/347086320.db2.gz COWONKSWISOEQD-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1 ZINC000182124595 366869234 /nfs/dbraw/zinc/86/92/34/366869234.db2.gz COWONKSWISOEQD-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182186827 366872489 /nfs/dbraw/zinc/87/24/89/366872489.db2.gz GZNGTEUKHKPHKZ-UHFFFAOYSA-N 1 0 225.335 3.560 20 0 BHADRO CO[C@H](C)C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000182189067 366874536 /nfs/dbraw/zinc/87/45/36/366874536.db2.gz DVEADIGMAJRWCE-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000182189092 366874930 /nfs/dbraw/zinc/87/49/30/366874930.db2.gz DVEADIGMAJRWCE-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000182210913 366876129 /nfs/dbraw/zinc/87/61/29/366876129.db2.gz DVBIZMDWVYRRSK-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000182210932 366876276 /nfs/dbraw/zinc/87/62/76/366876276.db2.gz DVBIZMDWVYRRSK-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccoc1 ZINC000182213389 366875673 /nfs/dbraw/zinc/87/56/73/366875673.db2.gz QKXKHXMHIVKLCQ-NSHDSACASA-N 1 0 245.297 3.759 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccoc1 ZINC000182213409 366876339 /nfs/dbraw/zinc/87/63/39/366876339.db2.gz QKXKHXMHIVKLCQ-LLVKDONJSA-N 1 0 245.297 3.759 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000182233584 366877568 /nfs/dbraw/zinc/87/75/68/366877568.db2.gz HLFXFFUOIQCKJK-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000182233596 366877572 /nfs/dbraw/zinc/87/75/72/366877572.db2.gz HLFXFFUOIQCKJK-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000182336011 366887252 /nfs/dbraw/zinc/88/72/52/366887252.db2.gz SWLWWVJWYMTKQF-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000182336029 366886807 /nfs/dbraw/zinc/88/68/07/366886807.db2.gz SWLWWVJWYMTKQF-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000182336047 366887157 /nfs/dbraw/zinc/88/71/57/366887157.db2.gz SWLWWVJWYMTKQF-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000182336066 366887050 /nfs/dbraw/zinc/88/70/50/366887050.db2.gz SWLWWVJWYMTKQF-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCCCO)cc1 ZINC000182343828 643002203 /nfs/dbraw/zinc/00/22/03/643002203.db2.gz ZCQNDSCTRUAWPN-OAHLLOKOSA-N 1 0 249.398 3.588 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCCCCO)cc1 ZINC000182343848 643001931 /nfs/dbraw/zinc/00/19/31/643001931.db2.gz ZCQNDSCTRUAWPN-HNNXBMFYSA-N 1 0 249.398 3.588 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000182359364 366891578 /nfs/dbraw/zinc/89/15/78/366891578.db2.gz PYDUFONHRODRHF-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000182359384 366891292 /nfs/dbraw/zinc/89/12/92/366891292.db2.gz PYDUFONHRODRHF-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000182359401 366891090 /nfs/dbraw/zinc/89/10/90/366891090.db2.gz PYDUFONHRODRHF-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000182359422 366891765 /nfs/dbraw/zinc/89/17/65/366891765.db2.gz PYDUFONHRODRHF-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO COc1ccccc1CCC[N@H+](C)C1CCCC1 ZINC000182385760 386108463 /nfs/dbraw/zinc/10/84/63/386108463.db2.gz UKBNRYXQTCGIKE-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000182394114 385444592 /nfs/dbraw/zinc/44/45/92/385444592.db2.gz OZPFLFYBRCKOCW-LBPRGKRZSA-N 1 0 224.348 3.522 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000182394132 385665071 /nfs/dbraw/zinc/66/50/71/385665071.db2.gz OZPFLFYBRCKOCW-GFCCVEGCSA-N 1 0 224.348 3.522 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000182400438 366897222 /nfs/dbraw/zinc/89/72/22/366897222.db2.gz NVGFDTIGAIRLRU-NEPJUHHUSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000182400457 366896819 /nfs/dbraw/zinc/89/68/19/366896819.db2.gz NVGFDTIGAIRLRU-RYUDHWBXSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000182400475 366897094 /nfs/dbraw/zinc/89/70/94/366897094.db2.gz NVGFDTIGAIRLRU-VXGBXAGGSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000182400494 345081132 /nfs/dbraw/zinc/08/11/32/345081132.db2.gz NVGFDTIGAIRLRU-NWDGAFQWSA-N 1 0 233.330 3.593 20 0 BHADRO COc1ccccc1CCC[N@H+](C(C)C)C1CC1 ZINC000182403115 386169228 /nfs/dbraw/zinc/16/92/28/386169228.db2.gz UKTSMGJSSCDMSN-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000182418436 385666683 /nfs/dbraw/zinc/66/66/83/385666683.db2.gz JZVLNFLVIHDQAD-STQMWFEESA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000182418459 385665964 /nfs/dbraw/zinc/66/59/64/385665964.db2.gz JZVLNFLVIHDQAD-OLZOCXBDSA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000182418478 174706606 /nfs/dbraw/zinc/70/66/06/174706606.db2.gz JZVLNFLVIHDQAD-QWHCGFSZSA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000182418498 174836399 /nfs/dbraw/zinc/83/63/99/174836399.db2.gz JZVLNFLVIHDQAD-CHWSQXEVSA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000182419564 387939463 /nfs/dbraw/zinc/93/94/63/387939463.db2.gz VNGASXCYAYMBGS-STQMWFEESA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000182419582 387938137 /nfs/dbraw/zinc/93/81/37/387938137.db2.gz VNGASXCYAYMBGS-OLZOCXBDSA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000182419594 387938614 /nfs/dbraw/zinc/93/86/14/387938614.db2.gz VNGASXCYAYMBGS-QWHCGFSZSA-N 1 0 243.350 3.525 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000182419611 174836292 /nfs/dbraw/zinc/83/62/92/174836292.db2.gz VNGASXCYAYMBGS-CHWSQXEVSA-N 1 0 243.350 3.525 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000182420955 366900474 /nfs/dbraw/zinc/90/04/74/366900474.db2.gz KPDKHFWCNDLPBM-JTQLQIEISA-N 1 0 232.327 3.667 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000182420977 366901327 /nfs/dbraw/zinc/90/13/27/366901327.db2.gz KPDKHFWCNDLPBM-SNVBAGLBSA-N 1 0 232.327 3.667 20 0 BHADRO CCCCCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000182458736 643020592 /nfs/dbraw/zinc/02/05/92/643020592.db2.gz VKIMLWXIJXPPIZ-ZDUSSCGKSA-N 1 0 238.375 3.912 20 0 BHADRO CCCCCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000182458754 643021611 /nfs/dbraw/zinc/02/16/11/643021611.db2.gz VKIMLWXIJXPPIZ-CYBMUJFWSA-N 1 0 238.375 3.912 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000182462631 134342119 /nfs/dbraw/zinc/34/21/19/134342119.db2.gz XBABIOQAJHWZDK-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000182462652 134342052 /nfs/dbraw/zinc/34/20/52/134342052.db2.gz XBABIOQAJHWZDK-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000182462670 134341940 /nfs/dbraw/zinc/34/19/40/134341940.db2.gz XBABIOQAJHWZDK-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000182462689 134341840 /nfs/dbraw/zinc/34/18/40/134341840.db2.gz XBABIOQAJHWZDK-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCCO)c(C)c1 ZINC000182619176 385689977 /nfs/dbraw/zinc/68/99/77/385689977.db2.gz AXQKUTZDCQENCJ-OAHLLOKOSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCCCO)c(C)c1 ZINC000182619197 187483275 /nfs/dbraw/zinc/48/32/75/187483275.db2.gz AXQKUTZDCQENCJ-HNNXBMFYSA-N 1 0 249.398 3.507 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000182623404 134346472 /nfs/dbraw/zinc/34/64/72/134346472.db2.gz AQUVVQYCKMGBEL-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000182623421 134346438 /nfs/dbraw/zinc/34/64/38/134346438.db2.gz AQUVVQYCKMGBEL-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000182623439 134346309 /nfs/dbraw/zinc/34/63/09/134346309.db2.gz AQUVVQYCKMGBEL-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000182623458 535614965 /nfs/dbraw/zinc/61/49/65/535614965.db2.gz AQUVVQYCKMGBEL-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182640816 385461370 /nfs/dbraw/zinc/46/13/70/385461370.db2.gz CREALORMHFNSCJ-NSHDSACASA-N 1 0 249.379 3.837 20 0 BHADRO CCSCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182640835 385460626 /nfs/dbraw/zinc/46/06/26/385460626.db2.gz CREALORMHFNSCJ-LLVKDONJSA-N 1 0 249.379 3.837 20 0 BHADRO Cc1ccnc(N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000182640906 366926037 /nfs/dbraw/zinc/92/60/37/366926037.db2.gz SBCZANVVAJYFFM-LRDDRELGSA-N 1 0 238.334 3.735 20 0 BHADRO Cc1ccnc(N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000182640924 366925583 /nfs/dbraw/zinc/92/55/83/366925583.db2.gz SBCZANVVAJYFFM-BLLLJJGKSA-N 1 0 238.334 3.735 20 0 BHADRO Cc1ccnc(N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000182640943 366925375 /nfs/dbraw/zinc/92/53/75/366925375.db2.gz SBCZANVVAJYFFM-WBMJQRKESA-N 1 0 238.334 3.735 20 0 BHADRO Cc1ccnc(N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000182640955 366925788 /nfs/dbraw/zinc/92/57/88/366925788.db2.gz SBCZANVVAJYFFM-MLGOLLRUSA-N 1 0 238.334 3.735 20 0 BHADRO CC[C@@H](C)N(C)Cc1ncc(Cl)cc1Cl ZINC000182643696 366926212 /nfs/dbraw/zinc/92/62/12/366926212.db2.gz LOWDGPBYXNXEDQ-MRVPVSSYSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@H](C)N(C)Cc1ncc(Cl)cc1Cl ZINC000182643713 366925906 /nfs/dbraw/zinc/92/59/06/366925906.db2.gz LOWDGPBYXNXEDQ-QMMMGPOBSA-N 1 0 247.169 3.619 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1cc2ccccc2o1 ZINC000182644270 711896207 /nfs/dbraw/zinc/89/62/07/711896207.db2.gz MBJVKWNZNDREDJ-QBBOHKLWSA-N 1 0 235.714 3.836 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1cc2ccccc2o1 ZINC000182644287 711896125 /nfs/dbraw/zinc/89/61/25/711896125.db2.gz MBJVKWNZNDREDJ-LJJSCBMDSA-N 1 0 235.714 3.836 20 0 BHADRO CC(C)[N@H+](CCC(=O)c1ccccc1)C1CCC1 ZINC000182671683 366929524 /nfs/dbraw/zinc/92/95/24/366929524.db2.gz WCXFADOBADXBMA-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000182753231 219867646 /nfs/dbraw/zinc/86/76/46/219867646.db2.gz ZFYCVNAPSMOCOX-ZBFHGGJFSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000182753246 385475581 /nfs/dbraw/zinc/47/55/81/385475581.db2.gz ZFYCVNAPSMOCOX-HOCLYGCPSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000182753267 385476216 /nfs/dbraw/zinc/47/62/16/385476216.db2.gz ZFYCVNAPSMOCOX-GDBMZVCRSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000182753284 385475184 /nfs/dbraw/zinc/47/51/84/385475184.db2.gz ZFYCVNAPSMOCOX-GOEBONIOSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182753928 385475999 /nfs/dbraw/zinc/47/59/99/385475999.db2.gz PWTMJYUFUTXJRU-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182753948 385475027 /nfs/dbraw/zinc/47/50/27/385475027.db2.gz PWTMJYUFUTXJRU-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182753967 205677900 /nfs/dbraw/zinc/67/79/00/205677900.db2.gz PWTMJYUFUTXJRU-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182753985 385475598 /nfs/dbraw/zinc/47/55/98/385475598.db2.gz PWTMJYUFUTXJRU-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000182756519 385475730 /nfs/dbraw/zinc/47/57/30/385475730.db2.gz CXNGDPFNUIMFJR-CABCVRRESA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000182756535 385476192 /nfs/dbraw/zinc/47/61/92/385476192.db2.gz CXNGDPFNUIMFJR-GJZGRUSLSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000182756553 385475555 /nfs/dbraw/zinc/47/55/55/385475555.db2.gz CXNGDPFNUIMFJR-HUUCEWRRSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000182756570 205677687 /nfs/dbraw/zinc/67/76/87/205677687.db2.gz CXNGDPFNUIMFJR-LSDHHAIUSA-N 1 0 247.382 3.605 20 0 BHADRO CCc1ccc(N[C@@H](CC)c2nccn2C)cc1 ZINC000182760142 385702864 /nfs/dbraw/zinc/70/28/64/385702864.db2.gz ZLISCTACWGNJSB-AWEZNQCLSA-N 1 0 243.354 3.546 20 0 BHADRO CCc1ccc(N[C@H](CC)c2nccn2C)cc1 ZINC000182760156 385703256 /nfs/dbraw/zinc/70/32/56/385703256.db2.gz ZLISCTACWGNJSB-CQSZACIVSA-N 1 0 243.354 3.546 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C/Cl)c(C)s1 ZINC000182763223 643065620 /nfs/dbraw/zinc/06/56/20/643065620.db2.gz CGPLKGCEELMHSG-XNPJLODASA-N 1 0 229.776 3.768 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C/Cl)c(C)s1 ZINC000182763238 643065313 /nfs/dbraw/zinc/06/53/13/643065313.db2.gz CGPLKGCEELMHSG-MOVJSRMASA-N 1 0 229.776 3.768 20 0 BHADRO CC(C)[NH+](Cc1c(F)cccc1F)C(C)C ZINC000182785172 535087399 /nfs/dbraw/zinc/08/73/99/535087399.db2.gz WLMOAKLJLHSFOQ-UHFFFAOYSA-N 1 0 227.298 3.584 20 0 BHADRO Cc1cc(Cn2ccnc2C(C)C)c(C)s1 ZINC000182855568 134349084 /nfs/dbraw/zinc/34/90/84/134349084.db2.gz BAPWMTSGNBEPMX-UHFFFAOYSA-N 1 0 234.368 3.733 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000182935201 366958853 /nfs/dbraw/zinc/95/88/53/366958853.db2.gz QXNNJUPZJLANTL-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@H](C)C1CCCCC1 ZINC000182935222 366959495 /nfs/dbraw/zinc/95/94/95/366959495.db2.gz QXNNJUPZJLANTL-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)c1cnc(C[NH+]2CCCCCC2)s1 ZINC000182936838 385493328 /nfs/dbraw/zinc/49/33/28/385493328.db2.gz GZBKQWIGVWROAQ-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCC[NH+](CCC)Cc1ncc(C(C)C)s1 ZINC000182938717 366959531 /nfs/dbraw/zinc/95/95/31/366959531.db2.gz VPMBNUAEIZONPH-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C/C=C/Cl)c1 ZINC000182939966 643074011 /nfs/dbraw/zinc/07/40/11/643074011.db2.gz PMYWSEUMXUZAPT-ZYOFXKKJSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C/C=C/Cl)c1 ZINC000182939987 643073725 /nfs/dbraw/zinc/07/37/25/643073725.db2.gz PMYWSEUMXUZAPT-ITKZLYELSA-N 1 0 223.747 3.707 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2C)s1 ZINC000182944393 366960787 /nfs/dbraw/zinc/96/07/87/366960787.db2.gz VLZCZJUQQVBYOE-LLVKDONJSA-N 1 0 238.400 3.641 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000182944419 347112662 /nfs/dbraw/zinc/11/26/62/347112662.db2.gz VLZCZJUQQVBYOE-NSHDSACASA-N 1 0 238.400 3.641 20 0 BHADRO CCCC[N@H+](CC)Cc1ncc(C(C)C)s1 ZINC000182944571 366960411 /nfs/dbraw/zinc/96/04/11/366960411.db2.gz VXKFKCVAWJDXPT-UHFFFAOYSA-N 1 0 240.416 3.889 20 0 BHADRO CCC[NH+](CCC)Cc1cccc2cnccc21 ZINC000182948421 538965070 /nfs/dbraw/zinc/96/50/70/538965070.db2.gz GEAKTGIEQVOPDJ-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc2cnccc21 ZINC000182952270 538965062 /nfs/dbraw/zinc/96/50/62/538965062.db2.gz UGIOALBXQHEXBE-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)C2CCCC2)s1 ZINC000182967664 366962961 /nfs/dbraw/zinc/96/29/61/366962961.db2.gz PWDVJJVPAMQPKQ-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC[N@@H+](Cc1ncc(C(C)C)s1)CC(C)C ZINC000182990338 366963524 /nfs/dbraw/zinc/96/35/24/366963524.db2.gz BFMGUNBGHPAIGY-UHFFFAOYSA-N 1 0 240.416 3.744 20 0 BHADRO CC(C)c1cnc(CN(C(C)C)C2CC2)s1 ZINC000182997469 366965291 /nfs/dbraw/zinc/96/52/91/366965291.db2.gz BLXAJIBTUJZBEJ-UHFFFAOYSA-N 1 0 238.400 3.639 20 0 BHADRO C[N@H+](Cc1cccc2cnccc21)C1CCCC1 ZINC000183004826 538965261 /nfs/dbraw/zinc/96/52/61/538965261.db2.gz NYGVPUUNHCSPJA-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(Cl)s1 ZINC000183017558 643080359 /nfs/dbraw/zinc/08/03/59/643080359.db2.gz SBHGZVIXJSWHHX-KNQJERJVSA-N 1 0 236.167 3.805 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(Cl)s1 ZINC000183017576 643078530 /nfs/dbraw/zinc/07/85/30/643078530.db2.gz SBHGZVIXJSWHHX-AJCRVFRXSA-N 1 0 236.167 3.805 20 0 BHADRO CC(C)[NH+](Cc1csc(C2CC2)n1)C(C)C ZINC000183025859 535117785 /nfs/dbraw/zinc/11/77/85/535117785.db2.gz GSDNJINXURWGHR-UHFFFAOYSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCC2(C)C)s1 ZINC000183031817 366967993 /nfs/dbraw/zinc/96/79/93/366967993.db2.gz JFXOMZHOHPLXPB-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCCc1nc(C[NH2+][C@@H](C)[C@@H](C)CC)cs1 ZINC000183035582 385501874 /nfs/dbraw/zinc/50/18/74/385501874.db2.gz MEKSNFSWFJILSB-QWRGUYRKSA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1nc(C[NH2+][C@H](C)[C@@H](C)CC)cs1 ZINC000183035605 385502390 /nfs/dbraw/zinc/50/23/90/385502390.db2.gz MEKSNFSWFJILSB-WDEREUQCSA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1nc(C[NH2+][C@@H](C)[C@H](C)CC)cs1 ZINC000183035626 385502370 /nfs/dbraw/zinc/50/23/70/385502370.db2.gz MEKSNFSWFJILSB-MNOVXSKESA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1nc(C[NH2+][C@H](C)[C@H](C)CC)cs1 ZINC000183035640 385502125 /nfs/dbraw/zinc/50/21/25/385502125.db2.gz MEKSNFSWFJILSB-GHMZBOCLSA-N 1 0 240.416 3.620 20 0 BHADRO CC(C)c1nc(C[NH+](C(C)C)C(C)C)cs1 ZINC000183036438 134350751 /nfs/dbraw/zinc/35/07/51/134350751.db2.gz SPBGMYBOUQHUCV-UHFFFAOYSA-N 1 0 240.416 3.885 20 0 BHADRO CC(C)[NH+](Cc1cc(F)ccc1F)C(C)C ZINC000183041165 535087567 /nfs/dbraw/zinc/08/75/67/535087567.db2.gz XZOKCLOTDSEUJU-UHFFFAOYSA-N 1 0 227.298 3.584 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc2cnccc21 ZINC000183046734 538965178 /nfs/dbraw/zinc/96/51/78/538965178.db2.gz JCXPTTMTBPOQEP-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)[NH+](Cc1nc2ccccc2s1)C(C)C ZINC000183051591 535121191 /nfs/dbraw/zinc/12/11/91/535121191.db2.gz OPZPXLVBAARIDF-UHFFFAOYSA-N 1 0 248.395 3.915 20 0 BHADRO CCC[N@H+](Cc1cccc2cnccc21)C1CC1 ZINC000183055100 538965326 /nfs/dbraw/zinc/96/53/26/538965326.db2.gz NVBHEUAUIXCPIK-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[N@H+](Cc1ccco1)[C@@H](C)Cc1ccsc1 ZINC000183055453 366970570 /nfs/dbraw/zinc/97/05/70/366970570.db2.gz MLKDTXMSTBVXRK-LBPRGKRZSA-N 1 0 249.379 3.794 20 0 BHADRO CC[N@H+](Cc1ccco1)[C@H](C)Cc1ccsc1 ZINC000183055475 366971094 /nfs/dbraw/zinc/97/10/94/366971094.db2.gz MLKDTXMSTBVXRK-GFCCVEGCSA-N 1 0 249.379 3.794 20 0 BHADRO CC(C)[NH+](Cc1cccc2cccnc21)C(C)C ZINC000183058552 535096390 /nfs/dbraw/zinc/09/63/90/535096390.db2.gz RKXLRPKVFFNMFV-UHFFFAOYSA-N 1 0 242.366 3.854 20 0 BHADRO CC[N@@H+](Cc1cccc2cnccc21)CC(C)C ZINC000183061068 538965079 /nfs/dbraw/zinc/96/50/79/538965079.db2.gz VUZUVTNXZUNTPI-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCC[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000183064174 366972319 /nfs/dbraw/zinc/97/23/19/366972319.db2.gz KMLGQPNKIIFDSE-NEPJUHHUSA-N 1 0 225.401 3.800 20 0 BHADRO CCC[C@H](C)[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000183064195 347118203 /nfs/dbraw/zinc/11/82/03/347118203.db2.gz KMLGQPNKIIFDSE-RYUDHWBXSA-N 1 0 225.401 3.800 20 0 BHADRO CCCc1nc(C[NH+](C(C)C)C(C)C)cs1 ZINC000183066747 134350805 /nfs/dbraw/zinc/35/08/05/134350805.db2.gz MLYWCUSHXXRXHT-UHFFFAOYSA-N 1 0 240.416 3.714 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000183100342 366976810 /nfs/dbraw/zinc/97/68/10/366976810.db2.gz MAEGDAHYUXTBFJ-VIFPVBQESA-N 1 0 243.272 3.721 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000183100363 366977125 /nfs/dbraw/zinc/97/71/25/366977125.db2.gz MAEGDAHYUXTBFJ-SECBINFHSA-N 1 0 243.272 3.721 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc2cnccc21 ZINC000183117451 538965957 /nfs/dbraw/zinc/96/59/57/538965957.db2.gz VBJBLDQXTBWPJU-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc2cnccc21 ZINC000183117465 538966051 /nfs/dbraw/zinc/96/60/51/538966051.db2.gz VBJBLDQXTBWPJU-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)c1cnc(C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000183124157 366978677 /nfs/dbraw/zinc/97/86/77/366978677.db2.gz UNFJHKNWLMGXAV-PHIMTYICSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1cnc(C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC000183124179 366978001 /nfs/dbraw/zinc/97/80/01/366978001.db2.gz UNFJHKNWLMGXAV-QWRGUYRKSA-N 1 0 238.400 3.639 20 0 BHADRO CC(C)c1cnc(C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC000183124195 366978121 /nfs/dbraw/zinc/97/81/21/366978121.db2.gz UNFJHKNWLMGXAV-GHMZBOCLSA-N 1 0 238.400 3.639 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000183145796 535934912 /nfs/dbraw/zinc/93/49/12/535934912.db2.gz JDBGVHYJJOSJBL-DARAHFNDSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000183145812 535808271 /nfs/dbraw/zinc/80/82/71/535808271.db2.gz JDBGVHYJJOSJBL-WMHQRMGPSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000183145824 535946254 /nfs/dbraw/zinc/94/62/54/535946254.db2.gz JDBGVHYJJOSJBL-SDADXPQNSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000183145838 134348782 /nfs/dbraw/zinc/34/87/82/134348782.db2.gz JDBGVHYJJOSJBL-UGQVUOCMSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cccc(F)c1F ZINC000183236193 385511115 /nfs/dbraw/zinc/51/11/15/385511115.db2.gz RBWDDBZXCONLNL-VIFPVBQESA-N 1 0 227.298 3.662 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cccc(F)c1F ZINC000183236211 385511188 /nfs/dbraw/zinc/51/11/88/385511188.db2.gz RBWDDBZXCONLNL-SECBINFHSA-N 1 0 227.298 3.662 20 0 BHADRO CCC(CC)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183263071 367006049 /nfs/dbraw/zinc/00/60/49/367006049.db2.gz XTDCONWIRZUQDZ-LLVKDONJSA-N 1 0 240.416 3.615 20 0 BHADRO CCC(CC)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000183263088 367006981 /nfs/dbraw/zinc/00/69/81/367006981.db2.gz XTDCONWIRZUQDZ-NSHDSACASA-N 1 0 240.416 3.615 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183263215 347123051 /nfs/dbraw/zinc/12/30/51/347123051.db2.gz NOUSMHYHABZSGB-VXGBXAGGSA-N 1 0 240.416 3.615 20 0 BHADRO CCC[C@H](C)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183263240 367005970 /nfs/dbraw/zinc/00/59/70/367005970.db2.gz NOUSMHYHABZSGB-NWDGAFQWSA-N 1 0 240.416 3.615 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299873 385515888 /nfs/dbraw/zinc/51/58/88/385515888.db2.gz SPZXZCMBROHLOX-MNOVXSKESA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299894 385515996 /nfs/dbraw/zinc/51/59/96/385515996.db2.gz SPZXZCMBROHLOX-WDEREUQCSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299912 385515961 /nfs/dbraw/zinc/51/59/61/385515961.db2.gz SPZXZCMBROHLOX-GHMZBOCLSA-N 1 0 237.293 3.724 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cccc(CO)c1 ZINC000183301360 367012247 /nfs/dbraw/zinc/01/22/47/367012247.db2.gz ADLLMZWODGOBHE-ZDUSSCGKSA-N 1 0 249.398 3.656 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cccc(CO)c1 ZINC000183301376 367012258 /nfs/dbraw/zinc/01/22/58/367012258.db2.gz ADLLMZWODGOBHE-CYBMUJFWSA-N 1 0 249.398 3.656 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183302776 367012127 /nfs/dbraw/zinc/01/21/27/367012127.db2.gz HYEJMEAGVWFSCD-MJBXVCDLSA-N 1 0 249.398 3.654 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183302815 367012676 /nfs/dbraw/zinc/01/26/76/367012676.db2.gz HYEJMEAGVWFSCD-IHRRRGAJSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)C1CCC1 ZINC000183318891 345937128 /nfs/dbraw/zinc/93/71/28/345937128.db2.gz GDUDYGWAERCONA-LBPRGKRZSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+](C)C1CCC1 ZINC000183318911 345937448 /nfs/dbraw/zinc/93/74/48/345937448.db2.gz GDUDYGWAERCONA-GFCCVEGCSA-N 1 0 235.346 3.631 20 0 BHADRO COCCC[C@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000183329474 347124376 /nfs/dbraw/zinc/12/43/76/347124376.db2.gz PFOPGCOBWICZLT-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000183329491 367015834 /nfs/dbraw/zinc/01/58/34/367015834.db2.gz PFOPGCOBWICZLT-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183361191 385535701 /nfs/dbraw/zinc/53/57/01/385535701.db2.gz KMXVKIIDVBQCQW-ZIAGYGMSSA-N 1 0 217.356 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183361215 205680855 /nfs/dbraw/zinc/68/08/55/205680855.db2.gz KMXVKIIDVBQCQW-UONOGXRCSA-N 1 0 217.356 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183361228 385535372 /nfs/dbraw/zinc/53/53/72/385535372.db2.gz KMXVKIIDVBQCQW-KGLIPLIRSA-N 1 0 217.356 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183361250 385535037 /nfs/dbraw/zinc/53/50/37/385535037.db2.gz KMXVKIIDVBQCQW-KBPBESRZSA-N 1 0 217.356 3.734 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)[C@@H](C)c1ccccc1 ZINC000183377043 176023250 /nfs/dbraw/zinc/02/32/50/176023250.db2.gz JAWQOYCZSJTDQH-BBBNCSCVSA-N 1 0 223.747 3.521 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)[C@H](C)c1ccccc1 ZINC000183377063 385758027 /nfs/dbraw/zinc/75/80/27/385758027.db2.gz JAWQOYCZSJTDQH-GJEJFBSKSA-N 1 0 223.747 3.521 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)[C@@H](C)c1ccccc1 ZINC000183377077 385536977 /nfs/dbraw/zinc/53/69/77/385536977.db2.gz JAWQOYCZSJTDQH-FIRGKKCLSA-N 1 0 223.747 3.521 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C/C=C/Cl ZINC000183377097 385538113 /nfs/dbraw/zinc/53/81/13/385538113.db2.gz JAWQOYCZSJTDQH-PLEIZWCUSA-N 1 0 223.747 3.521 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)CC2CCC2)cc1 ZINC000183391785 367019089 /nfs/dbraw/zinc/01/90/89/367019089.db2.gz SMPVRXHWBZSRER-ZDUSSCGKSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)CC2CCC2)cc1 ZINC000183391799 367019273 /nfs/dbraw/zinc/01/92/73/367019273.db2.gz SMPVRXHWBZSRER-CYBMUJFWSA-N 1 0 247.382 3.531 20 0 BHADRO CCCCC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183490202 385549127 /nfs/dbraw/zinc/54/91/27/385549127.db2.gz MBZSCKGABHZHNR-GFCCVEGCSA-N 1 0 238.400 3.682 20 0 BHADRO CCCCC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183490223 385548399 /nfs/dbraw/zinc/54/83/99/385548399.db2.gz MBZSCKGABHZHNR-LBPRGKRZSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H]([NH2+][C@H]2C=CCCC2)C2CC2)n1 ZINC000183510243 385768282 /nfs/dbraw/zinc/76/82/82/385768282.db2.gz PJDQKXHXBVLNCE-QWHCGFSZSA-N 1 0 248.395 3.601 20 0 BHADRO Cc1csc([C@@H]([NH2+][C@H]2C=CCCC2)C2CC2)n1 ZINC000183510258 385768016 /nfs/dbraw/zinc/76/80/16/385768016.db2.gz PJDQKXHXBVLNCE-STQMWFEESA-N 1 0 248.395 3.601 20 0 BHADRO Cc1csc([C@H]([NH2+][C@@H]2C=CCCC2)C2CC2)n1 ZINC000183510273 385767096 /nfs/dbraw/zinc/76/70/96/385767096.db2.gz PJDQKXHXBVLNCE-CHWSQXEVSA-N 1 0 248.395 3.601 20 0 BHADRO Cc1csc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CC2)n1 ZINC000183510289 385768151 /nfs/dbraw/zinc/76/81/51/385768151.db2.gz PJDQKXHXBVLNCE-OLZOCXBDSA-N 1 0 248.395 3.601 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)Cc1cc(C)on1 ZINC000183596452 347130873 /nfs/dbraw/zinc/13/08/73/347130873.db2.gz SNIXRBZXFONOBP-CYBMUJFWSA-N 1 0 238.375 3.631 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)Cc1cc(C)on1 ZINC000183596470 367032306 /nfs/dbraw/zinc/03/23/06/367032306.db2.gz SNIXRBZXFONOBP-ZDUSSCGKSA-N 1 0 238.375 3.631 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CCC(OCC)CC1 ZINC000183603039 538967100 /nfs/dbraw/zinc/96/71/00/538967100.db2.gz QJVPXXPXMIYLGF-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CCC(OCC)CC1 ZINC000183603059 538966902 /nfs/dbraw/zinc/96/69/02/538966902.db2.gz QJVPXXPXMIYLGF-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)Cc1cscn1 ZINC000183604150 347130892 /nfs/dbraw/zinc/13/08/92/347130892.db2.gz FJBDLSFZRMTDMJ-GFCCVEGCSA-N 1 0 240.416 3.791 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)Cc1cscn1 ZINC000183604166 367032176 /nfs/dbraw/zinc/03/21/76/367032176.db2.gz FJBDLSFZRMTDMJ-LBPRGKRZSA-N 1 0 240.416 3.791 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000183616859 367032680 /nfs/dbraw/zinc/03/26/80/367032680.db2.gz XCFMPLIAPCAIMS-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000183616881 367032010 /nfs/dbraw/zinc/03/20/10/367032010.db2.gz XCFMPLIAPCAIMS-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)Cc1nccs1 ZINC000183628609 367033497 /nfs/dbraw/zinc/03/34/97/367033497.db2.gz LWBXFLWFCQJKKT-GFCCVEGCSA-N 1 0 240.416 3.791 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)Cc1nccs1 ZINC000183628629 367034120 /nfs/dbraw/zinc/03/41/20/367034120.db2.gz LWBXFLWFCQJKKT-LBPRGKRZSA-N 1 0 240.416 3.791 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000183646606 384548892 /nfs/dbraw/zinc/54/88/92/384548892.db2.gz STHVAAHOPFSODV-LLVKDONJSA-N 1 0 209.358 3.673 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000183646626 384546211 /nfs/dbraw/zinc/54/62/11/384546211.db2.gz STHVAAHOPFSODV-NSHDSACASA-N 1 0 209.358 3.673 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)CC1CCOCC1 ZINC000183647307 367034459 /nfs/dbraw/zinc/03/44/59/367034459.db2.gz FSMGBNTYNSQSFX-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)CC1CCOCC1 ZINC000183647334 367033405 /nfs/dbraw/zinc/03/34/05/367033405.db2.gz FSMGBNTYNSQSFX-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCCSC3)CCC2)cc1 ZINC000183653409 367034313 /nfs/dbraw/zinc/03/43/13/367034313.db2.gz MHKVEKNPCSGANF-CQSZACIVSA-N 1 0 247.407 3.551 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCCSC3)CCC2)cc1 ZINC000183653426 367035287 /nfs/dbraw/zinc/03/52/87/367035287.db2.gz MHKVEKNPCSGANF-AWEZNQCLSA-N 1 0 247.407 3.551 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000183678778 367037993 /nfs/dbraw/zinc/03/79/93/367037993.db2.gz LBDOIVCFFHAEMR-QLFBSQMISA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000183678812 367038310 /nfs/dbraw/zinc/03/83/10/367038310.db2.gz LBDOIVCFFHAEMR-ILXRZTDVSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCOC(C)(C)C)c1C ZINC000183710578 367041263 /nfs/dbraw/zinc/04/12/63/367041263.db2.gz DWVCIXXTCCIBKL-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCOC(C)(C)C)c1C ZINC000183710593 347133497 /nfs/dbraw/zinc/13/34/97/347133497.db2.gz DWVCIXXTCCIBKL-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000183714639 367042710 /nfs/dbraw/zinc/04/27/10/367042710.db2.gz NXYATFXHAJUWEQ-IJEWVQPXSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000183714675 367041999 /nfs/dbraw/zinc/04/19/99/367041999.db2.gz NXYATFXHAJUWEQ-YCPHGPKFSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000183716753 169357495 /nfs/dbraw/zinc/35/74/95/169357495.db2.gz KLEGTGVJENHLEC-OLZOCXBDSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000183716772 169479133 /nfs/dbraw/zinc/47/91/33/169479133.db2.gz KLEGTGVJENHLEC-STQMWFEESA-N 1 0 220.360 3.511 20 0 BHADRO FC(F)(F)C1CCC(C[NH2+]CCC2CC2)CC1 ZINC000183722622 538967557 /nfs/dbraw/zinc/96/75/57/538967557.db2.gz VHMQJUKFBAOCON-UHFFFAOYSA-N 1 0 249.320 3.745 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000183730090 367044206 /nfs/dbraw/zinc/04/42/06/367044206.db2.gz CXCKJNUKGNWHRS-IJEWVQPXSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000183730127 367043878 /nfs/dbraw/zinc/04/38/78/367043878.db2.gz CXCKJNUKGNWHRS-YCPHGPKFSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000183732179 169358048 /nfs/dbraw/zinc/35/80/48/169358048.db2.gz LWFBWSWGXQGPDL-OLZOCXBDSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000183732197 385793120 /nfs/dbraw/zinc/79/31/20/385793120.db2.gz LWFBWSWGXQGPDL-STQMWFEESA-N 1 0 220.360 3.511 20 0 BHADRO C[N@H+](CCc1ccccn1)CC1CCCCCC1 ZINC000183733492 367043310 /nfs/dbraw/zinc/04/33/10/367043310.db2.gz OAKXSYORIXLJQN-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C/C=C/Cl)c1C ZINC000183736331 643159677 /nfs/dbraw/zinc/15/96/77/643159677.db2.gz JRNUGGHVAFGDDQ-FZKGZDJFSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C/C=C/Cl)c1C ZINC000183736350 643159991 /nfs/dbraw/zinc/15/99/91/643159991.db2.gz JRNUGGHVAFGDDQ-ZCRIDZFUSA-N 1 0 223.747 3.707 20 0 BHADRO CC1([NH2+]CC2CCC(C(F)(F)F)CC2)CCC1 ZINC000183753533 347135572 /nfs/dbraw/zinc/13/55/72/347135572.db2.gz QKTSMTFUBIXFEH-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO C[N@H+](CCc1ccncc1)CC1CCCCCC1 ZINC000183754250 367045157 /nfs/dbraw/zinc/04/51/57/367045157.db2.gz NUHACOVEVQLDGV-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2C=CCCC2)c(C)o1 ZINC000183794812 384593665 /nfs/dbraw/zinc/59/36/65/384593665.db2.gz IMJGUKLENXADJB-YPMHNXCESA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2C=CCCC2)c(C)o1 ZINC000183794828 205686101 /nfs/dbraw/zinc/68/61/01/205686101.db2.gz IMJGUKLENXADJB-AAEUAGOBSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C=CCCC2)c(C)o1 ZINC000183794843 384593355 /nfs/dbraw/zinc/59/33/55/384593355.db2.gz IMJGUKLENXADJB-DGCLKSJQSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C=CCCC2)c(C)o1 ZINC000183794857 384593943 /nfs/dbraw/zinc/59/39/43/384593943.db2.gz IMJGUKLENXADJB-WCQYABFASA-N 1 0 219.328 3.656 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(C)oc1C ZINC000183809362 384586577 /nfs/dbraw/zinc/58/65/77/384586577.db2.gz AUGTYMJBDMHOGK-LLVKDONJSA-N 1 0 207.317 3.513 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000183809377 384587731 /nfs/dbraw/zinc/58/77/31/384587731.db2.gz AUGTYMJBDMHOGK-NSHDSACASA-N 1 0 207.317 3.513 20 0 BHADRO C[C@@H](CC[NH2+]C1(C)CCC1)c1ccccc1 ZINC000183861290 259376179 /nfs/dbraw/zinc/37/61/79/259376179.db2.gz HCGKWWGTLGTHPA-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO C[C@H](CC[NH2+]C1(C)CCC1)c1ccccc1 ZINC000183861304 259376172 /nfs/dbraw/zinc/37/61/72/259376172.db2.gz HCGKWWGTLGTHPA-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000183864148 134357026 /nfs/dbraw/zinc/35/70/26/134357026.db2.gz DTDMIMOKXSUGDW-ZDUSSCGKSA-N 1 0 237.412 3.523 20 0 BHADRO CSCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000183864166 134356939 /nfs/dbraw/zinc/35/69/39/134356939.db2.gz DTDMIMOKXSUGDW-CYBMUJFWSA-N 1 0 237.412 3.523 20 0 BHADRO CSCCCC[NH2+]Cc1cc(Cl)cs1 ZINC000183864216 134356996 /nfs/dbraw/zinc/35/69/96/134356996.db2.gz IXJZNFYFNVTBQX-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CCC1([NH2+]C[C@@H](C)c2ccccc2)CCC1 ZINC000183865481 385669839 /nfs/dbraw/zinc/66/98/39/385669839.db2.gz SFONIBOIVRKVHK-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CCC1([NH2+]C[C@H](C)c2ccccc2)CCC1 ZINC000183865494 385668740 /nfs/dbraw/zinc/66/87/40/385668740.db2.gz SFONIBOIVRKVHK-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO CCC1([NH2+]Cc2cc(Cl)cs2)CCC1 ZINC000183865517 385669423 /nfs/dbraw/zinc/66/94/23/385669423.db2.gz LWEUFSLGEQTMIK-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CC[C@@H](CSC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000183869873 384550321 /nfs/dbraw/zinc/55/03/21/384550321.db2.gz PTLIKOAHLFYVES-OCCSQVGLSA-N 1 0 237.412 3.521 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000183869894 384549954 /nfs/dbraw/zinc/54/99/54/384549954.db2.gz PTLIKOAHLFYVES-TZMCWYRMSA-N 1 0 237.412 3.521 20 0 BHADRO CC[C@@H](CSC)[NH2+]C[C@H](C)c1ccccc1 ZINC000183869911 384550719 /nfs/dbraw/zinc/55/07/19/384550719.db2.gz PTLIKOAHLFYVES-JSGCOSHPSA-N 1 0 237.412 3.521 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H](C)c1ccccc1 ZINC000183869926 384550052 /nfs/dbraw/zinc/55/00/52/384550052.db2.gz PTLIKOAHLFYVES-GXTWGEPZSA-N 1 0 237.412 3.521 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cc(Cl)cs1 ZINC000183869949 134356919 /nfs/dbraw/zinc/35/69/19/134356919.db2.gz KEAGIIANIKSAIA-VIFPVBQESA-N 1 0 249.832 3.633 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cc(Cl)cs1 ZINC000183869965 134356971 /nfs/dbraw/zinc/35/69/71/134356971.db2.gz KEAGIIANIKSAIA-SECBINFHSA-N 1 0 249.832 3.633 20 0 BHADRO FCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183911614 367057555 /nfs/dbraw/zinc/05/75/55/367057555.db2.gz ZMDXBLLWQZTONH-UHFFFAOYSA-N 1 0 241.309 3.706 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183919514 388572084 /nfs/dbraw/zinc/57/20/84/388572084.db2.gz QJHLJMQJQXKPOL-UHFFFAOYSA-N 1 0 227.298 3.856 20 0 BHADRO C[N@H+](Cc1ccc(C(F)F)cc1)C1CCCC1 ZINC000183921569 388572060 /nfs/dbraw/zinc/57/20/60/388572060.db2.gz LNNZQCHQIDUOTG-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183921992 367058071 /nfs/dbraw/zinc/05/80/71/367058071.db2.gz PPVMTRSLBIARDR-JTQLQIEISA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183922007 367057122 /nfs/dbraw/zinc/05/71/22/367057122.db2.gz PPVMTRSLBIARDR-SNVBAGLBSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183922516 134357791 /nfs/dbraw/zinc/35/77/91/134357791.db2.gz BLYCWVZKIDHXID-LLVKDONJSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183922533 134357843 /nfs/dbraw/zinc/35/78/43/134357843.db2.gz BLYCWVZKIDHXID-NSHDSACASA-N 1 0 239.309 3.856 20 0 BHADRO CC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183922674 134357711 /nfs/dbraw/zinc/35/77/11/134357711.db2.gz XEWQXHKVSUZXRD-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183922764 388571956 /nfs/dbraw/zinc/57/19/56/388571956.db2.gz LZVVGKHDFVVZMK-LLVKDONJSA-N 1 0 239.309 3.999 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183922781 388572937 /nfs/dbraw/zinc/57/29/37/388572937.db2.gz LZVVGKHDFVVZMK-NSHDSACASA-N 1 0 239.309 3.999 20 0 BHADRO FC(F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000183923928 180910072 /nfs/dbraw/zinc/91/00/72/180910072.db2.gz UWZFHPVHNXBQTP-UHFFFAOYSA-N 1 0 225.282 3.610 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000183924732 347143322 /nfs/dbraw/zinc/14/33/22/347143322.db2.gz NREKPSWBQNDJEG-UHFFFAOYSA-N 1 0 225.282 3.609 20 0 BHADRO CC(C)[N@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000183926224 535091110 /nfs/dbraw/zinc/09/11/10/535091110.db2.gz GCEDNZAKNZGBGB-UHFFFAOYSA-N 1 0 239.309 3.997 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)F)cc1)C(C)C ZINC000183927829 134357739 /nfs/dbraw/zinc/35/77/39/134357739.db2.gz MCZSRVOHZYEYKX-UHFFFAOYSA-N 1 0 227.298 3.855 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000183928183 187310326 /nfs/dbraw/zinc/31/03/26/187310326.db2.gz XKVROHKPDLHITG-WCQYABFASA-N 1 0 237.293 3.609 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000183928225 205701986 /nfs/dbraw/zinc/70/19/86/205701986.db2.gz HERHWKNYIUQIEK-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)C1CCCCC1 ZINC000183928245 385467890 /nfs/dbraw/zinc/46/78/90/385467890.db2.gz HERHWKNYIUQIEK-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000183929943 174143170 /nfs/dbraw/zinc/14/31/70/174143170.db2.gz BXQQBHANVABKQY-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000183929964 174144310 /nfs/dbraw/zinc/14/43/10/174144310.db2.gz BXQQBHANVABKQY-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCOC ZINC000183930067 385476667 /nfs/dbraw/zinc/47/66/67/385476667.db2.gz KWFIBBHDSOFQCR-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCOC ZINC000183930088 385476595 /nfs/dbraw/zinc/47/65/95/385476595.db2.gz KWFIBBHDSOFQCR-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCOC ZINC000183930106 385477174 /nfs/dbraw/zinc/47/71/74/385477174.db2.gz KWFIBBHDSOFQCR-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCOC ZINC000183930127 385476909 /nfs/dbraw/zinc/47/69/09/385476909.db2.gz KWFIBBHDSOFQCR-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183936569 134357687 /nfs/dbraw/zinc/35/76/87/134357687.db2.gz PHXPBHWTQZOGJL-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO CCC[N@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000183937315 388572120 /nfs/dbraw/zinc/57/21/20/388572120.db2.gz LKAHQOUNCHHQTA-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)CCOC ZINC000183943059 367059482 /nfs/dbraw/zinc/05/94/82/367059482.db2.gz FGCCBLDJIVSVCE-ZIAGYGMSSA-N 1 0 243.435 3.854 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)CCOC ZINC000183943079 367059466 /nfs/dbraw/zinc/05/94/66/367059466.db2.gz FGCCBLDJIVSVCE-UONOGXRCSA-N 1 0 243.435 3.854 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)CCOC ZINC000183943094 367059312 /nfs/dbraw/zinc/05/93/12/367059312.db2.gz FGCCBLDJIVSVCE-KGLIPLIRSA-N 1 0 243.435 3.854 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)CCOC ZINC000183943113 367058908 /nfs/dbraw/zinc/05/89/08/367058908.db2.gz FGCCBLDJIVSVCE-KBPBESRZSA-N 1 0 243.435 3.854 20 0 BHADRO C[N@@H+](Cc1ccc(C(F)F)cc1)CC1CCC1 ZINC000183944632 536466546 /nfs/dbraw/zinc/46/65/46/536466546.db2.gz WYFISRDTEOIDLJ-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO CC[N@@H+](Cc1ccc(C(F)F)cc1)CC1CC1 ZINC000183944984 388572720 /nfs/dbraw/zinc/57/27/20/388572720.db2.gz SNNOMRQZKPMIRT-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[N@H+](Cc1ccc(C(F)F)cc1)C1CCC1 ZINC000183951789 536466573 /nfs/dbraw/zinc/46/65/73/536466573.db2.gz NTMICEXANJFIOE-UHFFFAOYSA-N 1 0 225.282 3.609 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183952828 388572358 /nfs/dbraw/zinc/57/23/58/388572358.db2.gz SEDVPOOSFHFIFZ-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183953155 176108336 /nfs/dbraw/zinc/10/83/36/176108336.db2.gz FKTDOBFWCGYKSM-SNVBAGLBSA-N 1 0 225.282 3.609 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183953171 177110340 /nfs/dbraw/zinc/11/03/40/177110340.db2.gz FKTDOBFWCGYKSM-JTQLQIEISA-N 1 0 225.282 3.609 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C ZINC000183955274 134357583 /nfs/dbraw/zinc/35/75/83/134357583.db2.gz BZUAWHIWRWMNGC-GHMZBOCLSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183955288 134357742 /nfs/dbraw/zinc/35/77/42/134357742.db2.gz BZUAWHIWRWMNGC-WDEREUQCSA-N 1 0 239.309 3.855 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccccc2OC)CCC1 ZINC000183956209 367058947 /nfs/dbraw/zinc/05/89/47/367058947.db2.gz FAJGZJSNJBNUFU-CYBMUJFWSA-N 1 0 247.382 3.505 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccccc2OC)CCC1 ZINC000183956231 367059495 /nfs/dbraw/zinc/05/94/95/367059495.db2.gz FAJGZJSNJBNUFU-ZDUSSCGKSA-N 1 0 247.382 3.505 20 0 BHADRO CCCCCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183957126 643185430 /nfs/dbraw/zinc/18/54/30/643185430.db2.gz WQTTVMCZMWTAMU-UHFFFAOYSA-N 1 0 240.416 3.857 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183958425 388572461 /nfs/dbraw/zinc/57/24/61/388572461.db2.gz CBSOOFICKHFOJA-LLVKDONJSA-N 1 0 239.309 3.856 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183958443 388572513 /nfs/dbraw/zinc/57/25/13/388572513.db2.gz CBSOOFICKHFOJA-NSHDSACASA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183959179 134357694 /nfs/dbraw/zinc/35/76/94/134357694.db2.gz PCQLKBYUTHBLFY-PHIMTYICSA-N 1 0 239.309 3.997 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C(F)F)cc1 ZINC000183959191 134357771 /nfs/dbraw/zinc/35/77/71/134357771.db2.gz PCQLKBYUTHBLFY-QWRGUYRKSA-N 1 0 239.309 3.997 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C(F)F)cc1 ZINC000183959210 134357553 /nfs/dbraw/zinc/35/75/53/134357553.db2.gz PCQLKBYUTHBLFY-GHMZBOCLSA-N 1 0 239.309 3.997 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183966368 134355885 /nfs/dbraw/zinc/35/58/85/134355885.db2.gz VDINCOATULSIJR-SNVBAGLBSA-N 1 0 227.298 3.855 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183966383 134355840 /nfs/dbraw/zinc/35/58/40/134355840.db2.gz VDINCOATULSIJR-JTQLQIEISA-N 1 0 227.298 3.855 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(C(F)F)cc1 ZINC000183979239 134355907 /nfs/dbraw/zinc/35/59/07/134355907.db2.gz OKSUIMMENOUVPL-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)C1CCCC1 ZINC000183998265 367060731 /nfs/dbraw/zinc/06/07/31/367060731.db2.gz XFYVVWPZJJRMNK-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)C1CCCC1 ZINC000183998280 367060738 /nfs/dbraw/zinc/06/07/38/367060738.db2.gz XFYVVWPZJJRMNK-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)C1CCCC1 ZINC000183998296 367060473 /nfs/dbraw/zinc/06/04/73/367060473.db2.gz XFYVVWPZJJRMNK-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)C1CCCC1 ZINC000183998316 367060637 /nfs/dbraw/zinc/06/06/37/367060637.db2.gz XFYVVWPZJJRMNK-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000184000373 643189971 /nfs/dbraw/zinc/18/99/71/643189971.db2.gz GQWKMMCGOPQUFN-GFCCVEGCSA-N 1 0 240.416 3.759 20 0 BHADRO CCCCCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000184000394 643190093 /nfs/dbraw/zinc/19/00/93/643190093.db2.gz GQWKMMCGOPQUFN-LBPRGKRZSA-N 1 0 240.416 3.759 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)C(C)C ZINC000184103315 643193349 /nfs/dbraw/zinc/19/33/49/643193349.db2.gz XCPVRUAQKIYGHB-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)C(C)C ZINC000184103332 643194236 /nfs/dbraw/zinc/19/42/36/643194236.db2.gz XCPVRUAQKIYGHB-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)C1CCC1 ZINC000184108348 643193559 /nfs/dbraw/zinc/19/35/59/643193559.db2.gz CBVSDLZYJGMMQL-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)C1CCC1 ZINC000184108365 643194400 /nfs/dbraw/zinc/19/44/00/643194400.db2.gz CBVSDLZYJGMMQL-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO Oc1cc(F)cc(C[NH2+]CCC2=CCCCC2)c1 ZINC000184132674 134359159 /nfs/dbraw/zinc/35/91/59/134359159.db2.gz ZRTSHWXVFKVKQZ-UHFFFAOYSA-N 1 0 249.329 3.511 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCC2CCCC2)n1 ZINC000184217505 323088702 /nfs/dbraw/zinc/08/87/02/323088702.db2.gz ARMDKFNVTIAITR-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCC2CCCC2)n1 ZINC000184217517 323088669 /nfs/dbraw/zinc/08/86/69/323088669.db2.gz ARMDKFNVTIAITR-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000184233807 535409381 /nfs/dbraw/zinc/40/93/81/535409381.db2.gz ZVMMVIXPLFIFKP-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000184233823 134361153 /nfs/dbraw/zinc/36/11/53/134361153.db2.gz ZVMMVIXPLFIFKP-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000184234198 535409929 /nfs/dbraw/zinc/40/99/29/535409929.db2.gz BXFCGBBJDSLYJI-OAHLLOKOSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000184234218 134361130 /nfs/dbraw/zinc/36/11/30/134361130.db2.gz BXFCGBBJDSLYJI-HNNXBMFYSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000184248139 388575475 /nfs/dbraw/zinc/57/54/75/388575475.db2.gz ZPXFBHLONPBQTR-CQSZACIVSA-N 1 0 244.382 3.931 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000184248163 388575933 /nfs/dbraw/zinc/57/59/33/388575933.db2.gz ZPXFBHLONPBQTR-AWEZNQCLSA-N 1 0 244.382 3.931 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000184248930 351296758 /nfs/dbraw/zinc/29/67/58/351296758.db2.gz SFHFRSVVDLSMES-RZLSGREXSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000184249032 384582923 /nfs/dbraw/zinc/58/29/23/384582923.db2.gz FHIKSARLMGWOPX-GZBFAFLISA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000184249053 384583834 /nfs/dbraw/zinc/58/38/34/384583834.db2.gz FHIKSARLMGWOPX-KCQAQPDRSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000184249075 384582493 /nfs/dbraw/zinc/58/24/93/384582493.db2.gz FHIKSARLMGWOPX-GUTXKFCHSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000184249092 384582675 /nfs/dbraw/zinc/58/26/75/384582675.db2.gz FHIKSARLMGWOPX-YDHLFZDLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2CCCCCC2)c1 ZINC000184251491 384585890 /nfs/dbraw/zinc/58/58/90/384585890.db2.gz QTZPCAGDCMOHNI-CYBMUJFWSA-N 1 0 232.371 3.763 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2CCCCCC2)c1 ZINC000184251509 384585487 /nfs/dbraw/zinc/58/54/87/384585487.db2.gz QTZPCAGDCMOHNI-ZDUSSCGKSA-N 1 0 232.371 3.763 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000184251630 256843853 /nfs/dbraw/zinc/84/38/53/256843853.db2.gz FTTKPSSPFWNQNZ-UONOGXRCSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000184251649 256843424 /nfs/dbraw/zinc/84/34/24/256843424.db2.gz FTTKPSSPFWNQNZ-KBPBESRZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000184251665 388575687 /nfs/dbraw/zinc/57/56/87/388575687.db2.gz FTTKPSSPFWNQNZ-ZIAGYGMSSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000184251679 256843673 /nfs/dbraw/zinc/84/36/73/256843673.db2.gz FTTKPSSPFWNQNZ-KGLIPLIRSA-N 1 0 234.387 3.865 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184251970 398014117 /nfs/dbraw/zinc/01/41/17/398014117.db2.gz BFSXXURFNZLSCK-ZDUSSCGKSA-N 1 0 220.360 3.621 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184251986 398013937 /nfs/dbraw/zinc/01/39/37/398013937.db2.gz BFSXXURFNZLSCK-CYBMUJFWSA-N 1 0 220.360 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000184253205 384585383 /nfs/dbraw/zinc/58/53/83/384585383.db2.gz TUWWZFUXRUVNBN-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000184253226 384585288 /nfs/dbraw/zinc/58/52/88/384585288.db2.gz TUWWZFUXRUVNBN-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000184253242 384585752 /nfs/dbraw/zinc/58/57/52/384585752.db2.gz TUWWZFUXRUVNBN-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000184253257 384586558 /nfs/dbraw/zinc/58/65/58/384586558.db2.gz TUWWZFUXRUVNBN-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000184255163 384587257 /nfs/dbraw/zinc/58/72/57/384587257.db2.gz NHHRNELVJRASAD-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000184255183 384585837 /nfs/dbraw/zinc/58/58/37/384585837.db2.gz NHHRNELVJRASAD-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000184257484 384584793 /nfs/dbraw/zinc/58/47/93/384584793.db2.gz GWULIISFNPIJDJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000184257502 384586637 /nfs/dbraw/zinc/58/66/37/384586637.db2.gz GWULIISFNPIJDJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cncc(C)c2)c1 ZINC000184265300 179097186 /nfs/dbraw/zinc/09/71/86/179097186.db2.gz CJNHKOVWSODMHW-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cncc(C)c2)c1 ZINC000184265315 179100176 /nfs/dbraw/zinc/10/01/76/179100176.db2.gz CJNHKOVWSODMHW-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000184265893 384589490 /nfs/dbraw/zinc/58/94/90/384589490.db2.gz UQNRMWNSHIFWJH-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000184265911 179687251 /nfs/dbraw/zinc/68/72/51/179687251.db2.gz UQNRMWNSHIFWJH-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC000184296374 388576166 /nfs/dbraw/zinc/57/61/66/388576166.db2.gz HDTZFMZYZMHUGO-AEGPPILISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC000184296409 388575855 /nfs/dbraw/zinc/57/58/55/388575855.db2.gz HDTZFMZYZMHUGO-QEJZJMRPSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2CCC(C)CC2)c1 ZINC000184296442 256844706 /nfs/dbraw/zinc/84/47/06/256844706.db2.gz OMEMHOBMKRNFJZ-HNFVBEJKSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2CCC(C)CC2)c1 ZINC000184296459 256844893 /nfs/dbraw/zinc/84/48/93/256844893.db2.gz OMEMHOBMKRNFJZ-BLZCZZARSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000184304883 384591403 /nfs/dbraw/zinc/59/14/03/384591403.db2.gz DUBQWJWNQYOILX-NJZAAPMLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000184304897 179687339 /nfs/dbraw/zinc/68/73/39/179687339.db2.gz DUBQWJWNQYOILX-CORIIIEPSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000184304920 179685662 /nfs/dbraw/zinc/68/56/62/179685662.db2.gz DUBQWJWNQYOILX-LNSITVRQSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000184304934 384591038 /nfs/dbraw/zinc/59/10/38/384591038.db2.gz DUBQWJWNQYOILX-WHOFXGATSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)c1 ZINC000184307483 388576041 /nfs/dbraw/zinc/57/60/41/388576041.db2.gz BRFRNDGGSAGJAL-KKUMJFAQSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c1 ZINC000184307518 256844574 /nfs/dbraw/zinc/84/45/74/256844574.db2.gz BRFRNDGGSAGJAL-SOUVJXGZSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000184308580 256844900 /nfs/dbraw/zinc/84/49/00/256844900.db2.gz CERDWXRHHKKILN-IHRRRGAJSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)c(C)c2)o1 ZINC000184334755 134362747 /nfs/dbraw/zinc/36/27/47/134362747.db2.gz XVJOUJCPEPSIEZ-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184343129 398033908 /nfs/dbraw/zinc/03/39/08/398033908.db2.gz TXPDOOZNZCWDHL-NSHDSACASA-N 1 0 226.389 3.682 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184343153 398033605 /nfs/dbraw/zinc/03/36/05/398033605.db2.gz TXPDOOZNZCWDHL-LLVKDONJSA-N 1 0 226.389 3.682 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000184355167 256844890 /nfs/dbraw/zinc/84/48/90/256844890.db2.gz ISLGCUZWRRBQAN-ATVPRXPUSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000184356773 179685401 /nfs/dbraw/zinc/68/54/01/179685401.db2.gz LMXKZFFAAGHIIF-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000184356785 384595757 /nfs/dbraw/zinc/59/57/57/384595757.db2.gz LMXKZFFAAGHIIF-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000184356806 384594848 /nfs/dbraw/zinc/59/48/48/384594848.db2.gz LMXKZFFAAGHIIF-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000184356824 384594726 /nfs/dbraw/zinc/59/47/26/384594726.db2.gz LMXKZFFAAGHIIF-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000184363941 388577426 /nfs/dbraw/zinc/57/74/26/388577426.db2.gz NBZBUGCYFYOOSB-OBJOEFQTSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCCC1)c1nc(C)cs1 ZINC000184366084 385633400 /nfs/dbraw/zinc/63/34/00/385633400.db2.gz RERVRUXOWVFLLL-RYUDHWBXSA-N 1 0 236.384 3.601 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCCC1)c1nc(C)cs1 ZINC000184366104 349047886 /nfs/dbraw/zinc/04/78/86/349047886.db2.gz RERVRUXOWVFLLL-NWDGAFQWSA-N 1 0 236.384 3.601 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCCC1)c1nc(C)cs1 ZINC000184366126 385634247 /nfs/dbraw/zinc/63/42/47/385634247.db2.gz RERVRUXOWVFLLL-NEPJUHHUSA-N 1 0 236.384 3.601 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1nc(C)cs1 ZINC000184366146 349048878 /nfs/dbraw/zinc/04/88/78/349048878.db2.gz RERVRUXOWVFLLL-VXGBXAGGSA-N 1 0 236.384 3.601 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1nc(C)cs1 ZINC000184376583 385637996 /nfs/dbraw/zinc/63/79/96/385637996.db2.gz PZURYYHRLANEBP-NSHDSACASA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1nc(C)cs1 ZINC000184376603 385636527 /nfs/dbraw/zinc/63/65/27/385636527.db2.gz PZURYYHRLANEBP-LLVKDONJSA-N 1 0 226.389 3.538 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cc2ccccc2s1 ZINC000184379864 384599244 /nfs/dbraw/zinc/59/92/44/384599244.db2.gz KPKOKCYXUXTMFC-JTQLQIEISA-N 1 0 237.343 3.912 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cc2ccccc2s1 ZINC000184379880 384598628 /nfs/dbraw/zinc/59/86/28/384598628.db2.gz KPKOKCYXUXTMFC-SNVBAGLBSA-N 1 0 237.343 3.912 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000184382039 384599643 /nfs/dbraw/zinc/59/96/43/384599643.db2.gz YFHMHBWKJHVTRO-TZMCWYRMSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000184382057 384598732 /nfs/dbraw/zinc/59/87/32/384598732.db2.gz YFHMHBWKJHVTRO-GXTWGEPZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000184382071 179685446 /nfs/dbraw/zinc/68/54/46/179685446.db2.gz YFHMHBWKJHVTRO-OCCSQVGLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000184382091 384597890 /nfs/dbraw/zinc/59/78/90/384597890.db2.gz YFHMHBWKJHVTRO-JSGCOSHPSA-N 1 0 232.371 3.619 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cncc(C)c2)CCC1 ZINC000184383367 168481008 /nfs/dbraw/zinc/48/10/08/168481008.db2.gz PRIYKJAXPVDQTE-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cncc(C)c2)CCC1 ZINC000184383382 384598943 /nfs/dbraw/zinc/59/89/43/384598943.db2.gz PRIYKJAXPVDQTE-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184398252 169379609 /nfs/dbraw/zinc/37/96/09/169379609.db2.gz PALVRTSXLGJNAY-GXTWGEPZSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184398265 188223626 /nfs/dbraw/zinc/22/36/26/188223626.db2.gz PALVRTSXLGJNAY-JSGCOSHPSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184398287 169380703 /nfs/dbraw/zinc/38/07/03/169380703.db2.gz PALVRTSXLGJNAY-TZMCWYRMSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184398300 323090415 /nfs/dbraw/zinc/09/04/15/323090415.db2.gz PALVRTSXLGJNAY-OCCSQVGLSA-N 1 0 220.360 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000184402278 384601184 /nfs/dbraw/zinc/60/11/84/384601184.db2.gz GZNYVEDSYDSOQJ-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000184402295 384601897 /nfs/dbraw/zinc/60/18/97/384601897.db2.gz GZNYVEDSYDSOQJ-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCCC(C)(C)C)c1 ZINC000184409158 367076110 /nfs/dbraw/zinc/07/61/10/367076110.db2.gz FXXRNQYZYKGFFG-CYBMUJFWSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCCC(C)(C)C)c1 ZINC000184409171 367076166 /nfs/dbraw/zinc/07/61/66/367076166.db2.gz FXXRNQYZYKGFFG-ZDUSSCGKSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2(CC(C)C)CC2)c1 ZINC000184413793 256845671 /nfs/dbraw/zinc/84/56/71/256845671.db2.gz AXWDHGMUFLSGCG-CQSZACIVSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2(CC(C)C)CC2)c1 ZINC000184413808 256845611 /nfs/dbraw/zinc/84/56/11/256845611.db2.gz AXWDHGMUFLSGCG-AWEZNQCLSA-N 1 0 246.398 3.867 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184414728 384601222 /nfs/dbraw/zinc/60/12/22/384601222.db2.gz QXAXZXSQJDKWAJ-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184414740 384603079 /nfs/dbraw/zinc/60/30/79/384603079.db2.gz QXAXZXSQJDKWAJ-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000184420069 384601100 /nfs/dbraw/zinc/60/11/00/384601100.db2.gz XXHREVZYVAMXAD-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000184420085 179687315 /nfs/dbraw/zinc/68/73/15/179687315.db2.gz XXHREVZYVAMXAD-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO CC1CC([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000184445947 385660246 /nfs/dbraw/zinc/66/02/46/385660246.db2.gz MDHXZUSZAFUVNV-UHFFFAOYSA-N 1 0 235.758 3.717 20 0 BHADRO CCCC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184449270 385659283 /nfs/dbraw/zinc/65/92/83/385659283.db2.gz PKLZLNBNEZAFCB-JTQLQIEISA-N 1 0 240.416 3.891 20 0 BHADRO CCCC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184449291 385659318 /nfs/dbraw/zinc/65/93/18/385659318.db2.gz PKLZLNBNEZAFCB-SNVBAGLBSA-N 1 0 240.416 3.891 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000184456292 174143892 /nfs/dbraw/zinc/14/38/92/174143892.db2.gz AMDXKLTVEYUWFZ-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000184456304 174144382 /nfs/dbraw/zinc/14/43/82/174144382.db2.gz AMDXKLTVEYUWFZ-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CCOC)c1ccccc1 ZINC000184456598 384607317 /nfs/dbraw/zinc/60/73/17/384607317.db2.gz FOYAVTINTZBRFX-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CCOC)c1ccccc1 ZINC000184456613 384609471 /nfs/dbraw/zinc/60/94/71/384609471.db2.gz FOYAVTINTZBRFX-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)c1ccccc1C ZINC000184463447 219872050 /nfs/dbraw/zinc/87/20/50/219872050.db2.gz GWFSOERLQIJMIP-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccccc1C ZINC000184463463 385661534 /nfs/dbraw/zinc/66/15/34/385661534.db2.gz GWFSOERLQIJMIP-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000184481799 388578603 /nfs/dbraw/zinc/57/86/03/388578603.db2.gz VTWSZKBZPQRRIT-FYJFLYSWSA-N 1 0 207.317 3.629 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@H](C)c1ccco1 ZINC000184481818 388577959 /nfs/dbraw/zinc/57/79/59/388577959.db2.gz VTWSZKBZPQRRIT-BTDICHCPSA-N 1 0 207.317 3.629 20 0 BHADRO CCC[N@@H+](C/C=C/Cl)CCc1cccs1 ZINC000184507699 643215012 /nfs/dbraw/zinc/21/50/12/643215012.db2.gz ZVLZHGPIWNJDMT-QPJJXVBHSA-N 1 0 243.803 3.755 20 0 BHADRO CC/C=C/CC[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000184540817 134363300 /nfs/dbraw/zinc/36/33/00/134363300.db2.gz RZPGGFMUODBVSZ-LLYBFZRZSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C/CC[N@H+]1CCC[C@H](OCCC)CC1 ZINC000184540835 535232172 /nfs/dbraw/zinc/23/21/72/535232172.db2.gz RZPGGFMUODBVSZ-NFAHFFEMSA-N 1 0 239.403 3.624 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC=CCC1 ZINC000184567030 398043349 /nfs/dbraw/zinc/04/33/49/398043349.db2.gz HVJXUPBLQDPYNU-JSGCOSHPSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CC=CCC1 ZINC000184567045 398042767 /nfs/dbraw/zinc/04/27/67/398042767.db2.gz HVJXUPBLQDPYNU-OCCSQVGLSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000184567065 323090700 /nfs/dbraw/zinc/09/07/00/323090700.db2.gz HVJXUPBLQDPYNU-GXTWGEPZSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000184567085 323090691 /nfs/dbraw/zinc/09/06/91/323090691.db2.gz HVJXUPBLQDPYNU-TZMCWYRMSA-N 1 0 207.361 3.511 20 0 BHADRO COCc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000184567953 256846275 /nfs/dbraw/zinc/84/62/75/256846275.db2.gz XQJUBWPNERXVBU-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1 ZINC000184567970 323090668 /nfs/dbraw/zinc/09/06/68/323090668.db2.gz XQJUBWPNERXVBU-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000184568747 256846559 /nfs/dbraw/zinc/84/65/59/256846559.db2.gz MZLKWWPJWWFNSZ-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000184568766 323090649 /nfs/dbraw/zinc/09/06/49/323090649.db2.gz MZLKWWPJWWFNSZ-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCC1=CCCCCC1 ZINC000184573560 538969229 /nfs/dbraw/zinc/96/92/29/538969229.db2.gz QFKARUGKADGERB-GFCCVEGCSA-N 1 0 247.386 3.649 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCC1=CCCCCC1 ZINC000184573578 538969157 /nfs/dbraw/zinc/96/91/57/538969157.db2.gz QFKARUGKADGERB-LBPRGKRZSA-N 1 0 247.386 3.649 20 0 BHADRO COCCC[C@H](C)[NH2+]CCC1=CCCCCC1 ZINC000184574564 388580003 /nfs/dbraw/zinc/58/00/03/388580003.db2.gz NEAFJPOKVOUIEQ-AWEZNQCLSA-N 1 0 239.403 3.672 20 0 BHADRO COCCC[C@@H](C)[NH2+]CCC1=CCCCCC1 ZINC000184574583 388579668 /nfs/dbraw/zinc/57/96/68/388579668.db2.gz NEAFJPOKVOUIEQ-CQSZACIVSA-N 1 0 239.403 3.672 20 0 BHADRO CC/C=C/CC[N@H+](C)CCc1cccs1 ZINC000184584881 388579040 /nfs/dbraw/zinc/57/90/40/388579040.db2.gz SEAAHBHGQARTTF-SNAWJCMRSA-N 1 0 223.385 3.579 20 0 BHADRO CC/C=C/CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000184587097 384623014 /nfs/dbraw/zinc/62/30/14/384623014.db2.gz JLOWEROIOKNVOS-ONEGZZNKSA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000184601023 188168977 /nfs/dbraw/zinc/16/89/77/188168977.db2.gz PEPPUMHUTOUVPG-SNAWJCMRSA-N 1 0 238.762 3.523 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000184623885 367085769 /nfs/dbraw/zinc/08/57/69/367085769.db2.gz OXVJEVDDLSCAKU-DWTRPJMMSA-N 1 0 244.382 3.883 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000184623906 367085872 /nfs/dbraw/zinc/08/58/72/367085872.db2.gz OXVJEVDDLSCAKU-APHBUQMISA-N 1 0 244.382 3.883 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000184626501 388580814 /nfs/dbraw/zinc/58/08/14/388580814.db2.gz LOOGNIPCNIVPMD-GJBLVYBDSA-N 1 0 247.382 3.611 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000184626520 388580946 /nfs/dbraw/zinc/58/09/46/388580946.db2.gz LOOGNIPCNIVPMD-VBROQKIQSA-N 1 0 247.382 3.611 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000184630323 388580543 /nfs/dbraw/zinc/58/05/43/388580543.db2.gz QOCABTLUSXSOPN-MBVDDHJVSA-N 1 0 232.371 3.518 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000184630339 388581024 /nfs/dbraw/zinc/58/10/24/388581024.db2.gz QOCABTLUSXSOPN-RGDDUWESSA-N 1 0 232.371 3.518 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000184656308 388580910 /nfs/dbraw/zinc/58/09/10/388580910.db2.gz XMZHUAGOEROQEW-GFUIURDCSA-N 1 0 233.355 3.741 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000184656332 388580324 /nfs/dbraw/zinc/58/03/24/388580324.db2.gz XMZHUAGOEROQEW-URWSZGRFSA-N 1 0 233.355 3.741 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000184660562 398047494 /nfs/dbraw/zinc/04/74/94/398047494.db2.gz YYLLPEVOOKPPEB-VOTSOKGWSA-N 1 0 238.400 3.633 20 0 BHADRO CC/C=C/CC[NH2+][C@@](C)(CC)c1nccs1 ZINC000184664822 398049579 /nfs/dbraw/zinc/04/95/79/398049579.db2.gz JFOAAIKRGOIXFG-YBJDMEARSA-N 1 0 238.400 3.714 20 0 BHADRO CC/C=C/CC[NH2+][C@](C)(CC)c1nccs1 ZINC000184664840 398049785 /nfs/dbraw/zinc/04/97/85/398049785.db2.gz JFOAAIKRGOIXFG-KTRBRXNASA-N 1 0 238.400 3.714 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184676769 385689042 /nfs/dbraw/zinc/68/90/42/385689042.db2.gz VJERUGZXINUFLQ-JTQLQIEISA-N 1 0 226.389 3.546 20 0 BHADRO CCCCC[NH2+][C@H](C)c1csc(CC)n1 ZINC000184676786 385689818 /nfs/dbraw/zinc/68/98/18/385689818.db2.gz VJERUGZXINUFLQ-SNVBAGLBSA-N 1 0 226.389 3.546 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000184696482 384641469 /nfs/dbraw/zinc/64/14/69/384641469.db2.gz NOSNEGLMGVAHSA-NHZBNJEXSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000184696498 384639456 /nfs/dbraw/zinc/63/94/56/384639456.db2.gz NOSNEGLMGVAHSA-BWPKMQGJSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000184699471 384641345 /nfs/dbraw/zinc/64/13/45/384641345.db2.gz GSGHGWCVMLKJSD-LFAOLKIESA-N 1 0 232.371 3.821 20 0 BHADRO CC/C=C/CC[N@H+](C)[C@H](CC)c1ccncc1 ZINC000184699491 384639501 /nfs/dbraw/zinc/63/95/01/384639501.db2.gz GSGHGWCVMLKJSD-LQYUOIDQSA-N 1 0 232.371 3.821 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000184700970 384640370 /nfs/dbraw/zinc/64/03/70/384640370.db2.gz WTWLXRNQCDJCPH-VBROQKIQSA-N 1 0 247.386 3.520 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000184700987 384638898 /nfs/dbraw/zinc/63/88/98/384638898.db2.gz WTWLXRNQCDJCPH-GJBLVYBDSA-N 1 0 247.386 3.520 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1ccccc1 ZINC000184711833 385703141 /nfs/dbraw/zinc/70/31/41/385703141.db2.gz MHJXDKMUUYWQPY-IHVVCDCBSA-N 1 0 203.329 3.694 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1ccccc1 ZINC000184711850 385702309 /nfs/dbraw/zinc/70/23/09/385702309.db2.gz MHJXDKMUUYWQPY-MUBLQREKSA-N 1 0 203.329 3.694 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184717887 643232500 /nfs/dbraw/zinc/23/25/00/643232500.db2.gz XOIRLOOCJMONEU-NSHDSACASA-N 1 0 240.416 3.936 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1csc(CC)n1 ZINC000184717907 643232679 /nfs/dbraw/zinc/23/26/79/643232679.db2.gz XOIRLOOCJMONEU-LLVKDONJSA-N 1 0 240.416 3.936 20 0 BHADRO CCCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000184721765 385707087 /nfs/dbraw/zinc/70/70/87/385707087.db2.gz OTTSSIQEZOOHOT-JTQLQIEISA-N 1 0 226.389 3.717 20 0 BHADRO CCCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000184721784 385706682 /nfs/dbraw/zinc/70/66/82/385706682.db2.gz OTTSSIQEZOOHOT-SNVBAGLBSA-N 1 0 226.389 3.717 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000184723315 385706460 /nfs/dbraw/zinc/70/64/60/385706460.db2.gz LPNLDFADVYWYOG-NSHDSACASA-N 1 0 240.416 3.963 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000184723331 385706727 /nfs/dbraw/zinc/70/67/27/385706727.db2.gz LPNLDFADVYWYOG-LLVKDONJSA-N 1 0 240.416 3.963 20 0 BHADRO c1ccc2c(c1)[nH+]ccc2N1CCCC2(CC2)C1 ZINC000184833300 134369269 /nfs/dbraw/zinc/36/92/69/134369269.db2.gz MZFAGXOAAUEAAC-UHFFFAOYSA-N 1 0 238.334 3.615 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000184849561 384655703 /nfs/dbraw/zinc/65/57/03/384655703.db2.gz HUMMTFBYRLXCGB-INIZCTEOSA-N 1 0 240.350 3.713 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000184849575 384656843 /nfs/dbraw/zinc/65/68/43/384656843.db2.gz HUMMTFBYRLXCGB-MRXNPFEDSA-N 1 0 240.350 3.713 20 0 BHADRO CCC[C@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000184850037 367102138 /nfs/dbraw/zinc/10/21/38/367102138.db2.gz AUBOSRUCZUJFMH-HNNXBMFYSA-N 1 0 232.371 3.845 20 0 BHADRO CCC[C@@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000184850052 367102562 /nfs/dbraw/zinc/10/25/62/367102562.db2.gz AUBOSRUCZUJFMH-OAHLLOKOSA-N 1 0 232.371 3.845 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccncc1)C1CCC1 ZINC000184869092 367104840 /nfs/dbraw/zinc/10/48/40/367104840.db2.gz XTZRZPTZBDDTRX-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccncc1)C1CCC1 ZINC000184869107 367105135 /nfs/dbraw/zinc/10/51/35/367105135.db2.gz XTZRZPTZBDDTRX-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000184872732 384660516 /nfs/dbraw/zinc/66/05/16/384660516.db2.gz VSQAWMHAFFJTSS-AWEZNQCLSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000184872752 384661188 /nfs/dbraw/zinc/66/11/88/384661188.db2.gz VSQAWMHAFFJTSS-CQSZACIVSA-N 1 0 246.379 3.774 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cccnc1)C1CCC1 ZINC000184890052 367107256 /nfs/dbraw/zinc/10/72/56/367107256.db2.gz CQCYHVLGNVCWON-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cccnc1)C1CCC1 ZINC000184890068 367107070 /nfs/dbraw/zinc/10/70/70/367107070.db2.gz CQCYHVLGNVCWON-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccccn1)C1CCC1 ZINC000184890088 367106771 /nfs/dbraw/zinc/10/67/71/367106771.db2.gz QHUQEMWKXUQBJW-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccccn1)C1CCC1 ZINC000184890104 367107286 /nfs/dbraw/zinc/10/72/86/367107286.db2.gz QHUQEMWKXUQBJW-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000184897394 134369971 /nfs/dbraw/zinc/36/99/71/134369971.db2.gz OIBKYAVZMCNXMJ-UKRRQHHQSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000184897413 134369894 /nfs/dbraw/zinc/36/98/94/134369894.db2.gz OIBKYAVZMCNXMJ-DZGCQCFKSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000184897433 134369787 /nfs/dbraw/zinc/36/97/87/134369787.db2.gz OIBKYAVZMCNXMJ-HIFRSBDPSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000184897453 134369990 /nfs/dbraw/zinc/36/99/90/134369990.db2.gz OIBKYAVZMCNXMJ-ZFWWWQNUSA-N 1 0 232.371 3.511 20 0 BHADRO CCCC[C@H]([NH2+]CCc1cccnc1)C1CCC1 ZINC000184908556 367108812 /nfs/dbraw/zinc/10/88/12/367108812.db2.gz DLVAOYSNBPTATI-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@@H]([NH2+]CCc1cccnc1)C1CCC1 ZINC000184908575 367108661 /nfs/dbraw/zinc/10/86/61/367108661.db2.gz DLVAOYSNBPTATI-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@H]([NH2+]Cc1nccs1)C1CCC1 ZINC000184908629 385717481 /nfs/dbraw/zinc/71/74/81/385717481.db2.gz FXWBPCAAIVBVRG-LBPRGKRZSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1nccs1)C1CCC1 ZINC000184908650 385715872 /nfs/dbraw/zinc/71/58/72/385715872.db2.gz FXWBPCAAIVBVRG-GFCCVEGCSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ncccc1C)C1CCC1 ZINC000184908967 538969309 /nfs/dbraw/zinc/96/93/09/538969309.db2.gz BFSSEBAGYVHWCW-HNNXBMFYSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ncccc1C)C1CCC1 ZINC000184908987 538969799 /nfs/dbraw/zinc/96/97/99/538969799.db2.gz BFSSEBAGYVHWCW-OAHLLOKOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]CCCC(C)C)c1cccnc1 ZINC000184926117 367111110 /nfs/dbraw/zinc/11/11/10/367111110.db2.gz SSXQLLFFZSVXPC-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CCCC(C)C)c1cccnc1 ZINC000184926131 345224901 /nfs/dbraw/zinc/22/49/01/345224901.db2.gz SSXQLLFFZSVXPC-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CCC2CCCC2)s1 ZINC000185010842 385719585 /nfs/dbraw/zinc/71/95/85/385719585.db2.gz OQMQYGAWCIBUIJ-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CCC2CCCC2)s1 ZINC000185010861 385719929 /nfs/dbraw/zinc/71/99/29/385719929.db2.gz OQMQYGAWCIBUIJ-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccsc1)c1cccnc1 ZINC000185019979 384674222 /nfs/dbraw/zinc/67/42/22/384674222.db2.gz OVESLRSACZTMOU-AWEZNQCLSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccsc1)c1cccnc1 ZINC000185019998 384673918 /nfs/dbraw/zinc/67/39/18/384673918.db2.gz OVESLRSACZTMOU-CQSZACIVSA-N 1 0 246.379 3.774 20 0 BHADRO CC[C@H]([NH2+]CCC1CCCC1)c1nccs1 ZINC000185087251 385719918 /nfs/dbraw/zinc/71/99/18/385719918.db2.gz LEFCJDWCLGMBRX-LBPRGKRZSA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCCC1)c1nccs1 ZINC000185087268 385718315 /nfs/dbraw/zinc/71/83/15/385718315.db2.gz LEFCJDWCLGMBRX-GFCCVEGCSA-N 1 0 238.400 3.764 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)C)c1cccnc1 ZINC000185149226 398057375 /nfs/dbraw/zinc/05/73/75/398057375.db2.gz IIWJQHUBJRJCDL-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)C)c1cccnc1 ZINC000185149241 169399290 /nfs/dbraw/zinc/39/92/90/169399290.db2.gz IIWJQHUBJRJCDL-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(CC)C[NH2+]CCCCCSC ZINC000185160868 398057290 /nfs/dbraw/zinc/05/72/90/398057290.db2.gz UCKWHTBQYRKZBE-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO CSCCCCC[NH2+]C1CCC(C)CC1 ZINC000185161692 205708304 /nfs/dbraw/zinc/70/83/04/205708304.db2.gz UJSPKENHAFRTQR-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+]C1CCCCCC1 ZINC000185161707 398057297 /nfs/dbraw/zinc/05/72/97/398057297.db2.gz FZMHBWAHWSMKJJ-UHFFFAOYSA-N 1 0 229.433 3.832 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000185162711 205707344 /nfs/dbraw/zinc/70/73/44/205707344.db2.gz TYHXJMYHGGNMGN-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000185162731 398058136 /nfs/dbraw/zinc/05/81/36/398058136.db2.gz TYHXJMYHGGNMGN-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000185162749 398057522 /nfs/dbraw/zinc/05/75/22/398057522.db2.gz TYHXJMYHGGNMGN-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000185162767 398057870 /nfs/dbraw/zinc/05/78/70/398057870.db2.gz TYHXJMYHGGNMGN-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+]Cc1ccccc1C ZINC000185162869 398057541 /nfs/dbraw/zinc/05/75/41/398057541.db2.gz ULYJLFQVXNAIIH-UHFFFAOYSA-N 1 0 237.412 3.618 20 0 BHADRO CSCCCCC[NH2+]Cc1ccc(C)cc1 ZINC000185162892 398057485 /nfs/dbraw/zinc/05/74/85/398057485.db2.gz XHKYYQAXRAOCBU-UHFFFAOYSA-N 1 0 237.412 3.618 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCCCCSC ZINC000185163436 398058141 /nfs/dbraw/zinc/05/81/41/398058141.db2.gz AQNQZZRLHKRVCJ-GFCCVEGCSA-N 1 0 217.422 3.546 20 0 BHADRO CCC[C@H](C)C[NH2+]CCCCCSC ZINC000185163458 398058022 /nfs/dbraw/zinc/05/80/22/398058022.db2.gz AQNQZZRLHKRVCJ-LBPRGKRZSA-N 1 0 217.422 3.546 20 0 BHADRO CSCCCCC[NH2+]C/C=C/c1ccccc1 ZINC000185163886 398057953 /nfs/dbraw/zinc/05/79/53/398057953.db2.gz MJQJWOSXZCYLRC-DHZHZOJOSA-N 1 0 249.423 3.823 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccnc1 ZINC000185163975 367123359 /nfs/dbraw/zinc/12/33/59/367123359.db2.gz PCROYODJRCQJGK-HOCLYGCPSA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccnc1 ZINC000185163991 367123602 /nfs/dbraw/zinc/12/36/02/367123602.db2.gz PCROYODJRCQJGK-GOEBONIOSA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccnc1 ZINC000185164008 367123226 /nfs/dbraw/zinc/12/32/26/367123226.db2.gz PCROYODJRCQJGK-ZBFHGGJFSA-N 1 0 244.382 3.869 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccnc1 ZINC000185164030 367123722 /nfs/dbraw/zinc/12/37/22/367123722.db2.gz PCROYODJRCQJGK-GDBMZVCRSA-N 1 0 244.382 3.869 20 0 BHADRO CSCCCCC[NH2+]CC1CCCCC1 ZINC000185164509 398057188 /nfs/dbraw/zinc/05/71/88/398057188.db2.gz AWHANYMKQMIWGV-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CSCCCCC[NH2+]Cc1sccc1C ZINC000185165350 398057196 /nfs/dbraw/zinc/05/71/96/398057196.db2.gz DYTUQUKDNYYPMG-UHFFFAOYSA-N 1 0 243.441 3.679 20 0 BHADRO CSCCCCC[NH2+]Cc1ccc(C)s1 ZINC000185166477 175474072 /nfs/dbraw/zinc/47/40/72/175474072.db2.gz YSTTVGDRODLIRY-UHFFFAOYSA-N 1 0 243.441 3.679 20 0 BHADRO CSCCCCC[NH2+]Cc1cccc(C)c1 ZINC000185167644 398057551 /nfs/dbraw/zinc/05/75/51/398057551.db2.gz CHOFJDIVYCIBLH-UHFFFAOYSA-N 1 0 237.412 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(OC(C)(C)C)cc1 ZINC000185185535 398090068 /nfs/dbraw/zinc/09/00/68/398090068.db2.gz AYXGAYXGKRKVJE-NSHDSACASA-N 1 0 233.355 3.677 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(OC(C)(C)C)cc1 ZINC000185185554 256851377 /nfs/dbraw/zinc/85/13/77/256851377.db2.gz AYXGAYXGKRKVJE-LLVKDONJSA-N 1 0 233.355 3.677 20 0 BHADRO CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000185187996 385726226 /nfs/dbraw/zinc/72/62/26/385726226.db2.gz HYVYGGCCCJFIMJ-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000185188016 205712134 /nfs/dbraw/zinc/71/21/34/205712134.db2.gz HYVYGGCCCJFIMJ-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000185188032 385726667 /nfs/dbraw/zinc/72/66/67/385726667.db2.gz HYVYGGCCCJFIMJ-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000185188051 385727416 /nfs/dbraw/zinc/72/74/16/385727416.db2.gz HYVYGGCCCJFIMJ-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1oncc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000185191296 367125441 /nfs/dbraw/zinc/12/54/41/367125441.db2.gz HVAIHYFONCPLKX-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Cc1oncc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000185193933 367124855 /nfs/dbraw/zinc/12/48/55/367124855.db2.gz ZAPQEUDBTPITRH-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]Cc1ccoc1 ZINC000185215721 205707957 /nfs/dbraw/zinc/70/79/57/205707957.db2.gz YXRORIAGXYTTNC-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO COCCC1(C[NH2+]C2CCCC2)CCCCC1 ZINC000185228213 388585929 /nfs/dbraw/zinc/58/59/29/388585929.db2.gz SNTZSVJMJYVXLR-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1(CCOC)CCCCC1 ZINC000185229325 256852453 /nfs/dbraw/zinc/85/24/53/256852453.db2.gz XASVNOXKFTXMEZ-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CC[C@H](C)C[NH2+]CC1(CCOC)CCCCC1 ZINC000185229342 388585274 /nfs/dbraw/zinc/58/52/74/388585274.db2.gz XASVNOXKFTXMEZ-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO COCCC1(C[NH2+]CC(C)(C)C)CCCCC1 ZINC000185229737 388585791 /nfs/dbraw/zinc/58/57/91/388585791.db2.gz DGZTYXXSMOASPM-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185275914 385729052 /nfs/dbraw/zinc/72/90/52/385729052.db2.gz JAOOQCUAABMMCT-GFCCVEGCSA-N 1 0 238.400 3.682 20 0 BHADRO CCCCC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185275929 385729475 /nfs/dbraw/zinc/72/94/75/385729475.db2.gz JAOOQCUAABMMCT-LBPRGKRZSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1cnc([C@H]([NH2+][C@H]2C=CCCC2)C2CC2)s1 ZINC000185304215 367128290 /nfs/dbraw/zinc/12/82/90/367128290.db2.gz KCSWRCWPOZWNQR-QWHCGFSZSA-N 1 0 248.395 3.601 20 0 BHADRO Cc1cnc([C@@H]([NH2+][C@H]2C=CCCC2)C2CC2)s1 ZINC000185304229 367128318 /nfs/dbraw/zinc/12/83/18/367128318.db2.gz KCSWRCWPOZWNQR-STQMWFEESA-N 1 0 248.395 3.601 20 0 BHADRO Cc1cnc([C@H]([NH2+][C@@H]2C=CCCC2)C2CC2)s1 ZINC000185304248 367127596 /nfs/dbraw/zinc/12/75/96/367127596.db2.gz KCSWRCWPOZWNQR-CHWSQXEVSA-N 1 0 248.395 3.601 20 0 BHADRO Cc1cnc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CC2)s1 ZINC000185304263 367126311 /nfs/dbraw/zinc/12/63/11/367126311.db2.gz KCSWRCWPOZWNQR-OLZOCXBDSA-N 1 0 248.395 3.601 20 0 BHADRO Cc1cnc([C@H]([NH2+]CCC(C)C)C2CC2)s1 ZINC000185316500 385728951 /nfs/dbraw/zinc/72/89/51/385728951.db2.gz JDQRSGIJBIBKRR-GFCCVEGCSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1cnc([C@@H]([NH2+]CCC(C)C)C2CC2)s1 ZINC000185316514 385728193 /nfs/dbraw/zinc/72/81/93/385728193.db2.gz JDQRSGIJBIBKRR-LBPRGKRZSA-N 1 0 238.400 3.538 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1(C)CC1 ZINC000185355984 134376923 /nfs/dbraw/zinc/37/69/23/134376923.db2.gz PVZQZLRWKWNTLG-JTQLQIEISA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1(C)CC1 ZINC000185355999 134376813 /nfs/dbraw/zinc/37/68/13/134376813.db2.gz PVZQZLRWKWNTLG-SNVBAGLBSA-N 1 0 239.309 3.902 20 0 BHADRO CCC[C@H]([NH2+]CC(CC)CC)c1cccnc1 ZINC000185388898 367130600 /nfs/dbraw/zinc/13/06/00/367130600.db2.gz JLOZRBPSWZJIFG-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC(CC)CC)c1cccnc1 ZINC000185388917 367130151 /nfs/dbraw/zinc/13/01/51/367130151.db2.gz JLOZRBPSWZJIFG-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO c1coc(C[NH2+]CCC2=CCCCCC2)c1 ZINC000185405849 385728582 /nfs/dbraw/zinc/72/85/82/385728582.db2.gz YZOLJERWOQYTML-UHFFFAOYSA-N 1 0 219.328 3.650 20 0 BHADRO Cc1ncccc1C[NH2+]CCC1=CCCCCC1 ZINC000185407394 388587422 /nfs/dbraw/zinc/58/74/22/388587422.db2.gz ATSGEOKQJVQOTA-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO c1nc(C[NH2+]CCC2=CCCCCC2)cs1 ZINC000185408947 385728047 /nfs/dbraw/zinc/72/80/47/385728047.db2.gz XESIMQULSPFGAR-UHFFFAOYSA-N 1 0 236.384 3.513 20 0 BHADRO Cc1noc(C)c1C[NH2+]CCC1=CCCCCC1 ZINC000185409566 136220038 /nfs/dbraw/zinc/22/00/38/136220038.db2.gz MVACCSSGHRHNNU-UHFFFAOYSA-N 1 0 248.370 3.662 20 0 BHADRO C1=C(CC[NH2+]C2CCSCC2)CCCCC1 ZINC000185409790 385728868 /nfs/dbraw/zinc/72/88/68/385728868.db2.gz GQHBLZLEGAZLOR-UHFFFAOYSA-N 1 0 239.428 3.752 20 0 BHADRO CC/C=C/CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000185433606 384722625 /nfs/dbraw/zinc/72/26/25/384722625.db2.gz PUZGDROBQYABOX-BTDICHCPSA-N 1 0 238.400 3.535 20 0 BHADRO CC/C=C/CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000185433623 384722174 /nfs/dbraw/zinc/72/21/74/384722174.db2.gz PUZGDROBQYABOX-FYJFLYSWSA-N 1 0 238.400 3.535 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000185434638 385731755 /nfs/dbraw/zinc/73/17/55/385731755.db2.gz WERAYHXLXCSHBF-SYTKJHMZSA-N 1 0 238.400 3.849 20 0 BHADRO CC/C=C/CC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000185434659 385730239 /nfs/dbraw/zinc/73/02/39/385730239.db2.gz WERAYHXLXCSHBF-NNNHXZLVSA-N 1 0 238.400 3.849 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](CC)c1nccs1 ZINC000185436033 385731396 /nfs/dbraw/zinc/73/13/96/385731396.db2.gz HQDZQOWWHOMUQU-QRGHLMKCSA-N 1 0 224.373 3.540 20 0 BHADRO CC/C=C/CC[NH2+][C@H](CC)c1nccs1 ZINC000185436053 385730766 /nfs/dbraw/zinc/73/07/66/385730766.db2.gz HQDZQOWWHOMUQU-MVIFTORASA-N 1 0 224.373 3.540 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000185441033 385730184 /nfs/dbraw/zinc/73/01/84/385730184.db2.gz AAVSZBRTRJCUNX-VOTSOKGWSA-N 1 0 238.400 3.633 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000185443048 385731840 /nfs/dbraw/zinc/73/18/40/385731840.db2.gz HNBIMUOPPNWAPP-MLRMMBSGSA-N 1 0 238.400 3.712 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1csc(CC)n1 ZINC000185443067 385731494 /nfs/dbraw/zinc/73/14/94/385731494.db2.gz HNBIMUOPPNWAPP-XUIVZRPNSA-N 1 0 238.400 3.712 20 0 BHADRO CCSc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000185447121 384723350 /nfs/dbraw/zinc/72/33/50/384723350.db2.gz ALLWMRPLNDEVRD-UHFFFAOYSA-N 1 0 247.363 3.681 20 0 BHADRO CCSc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000185447171 385731613 /nfs/dbraw/zinc/73/16/13/385731613.db2.gz FATWHENHABAQDD-LLVKDONJSA-N 1 0 223.385 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000185447191 205711318 /nfs/dbraw/zinc/71/13/18/205711318.db2.gz FATWHENHABAQDD-NSHDSACASA-N 1 0 223.385 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000185451299 385731473 /nfs/dbraw/zinc/73/14/73/385731473.db2.gz FQXMRRHUZVXTQY-NSHDSACASA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000185451320 205712973 /nfs/dbraw/zinc/71/29/73/205712973.db2.gz FQXMRRHUZVXTQY-LLVKDONJSA-N 1 0 235.396 3.687 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)C1CCCC1 ZINC000185476362 388587347 /nfs/dbraw/zinc/58/73/47/388587347.db2.gz UXIKHKOMSRDJLS-JXMROGBWSA-N 1 0 215.340 3.574 20 0 BHADRO CCSc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000185487143 384728995 /nfs/dbraw/zinc/72/89/95/384728995.db2.gz XCMDWBBEGJINEP-UHFFFAOYSA-N 1 0 247.363 3.681 20 0 BHADRO CC[NH+](CC)CC1CCC(C(F)(F)F)CC1 ZINC000185488501 388587783 /nfs/dbraw/zinc/58/77/83/388587783.db2.gz HZFOTHOGVUVBNU-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC=C(C)C)cc1 ZINC000185490888 367133464 /nfs/dbraw/zinc/13/34/64/367133464.db2.gz KEUGHDHYZQSSRH-ZIAGYGMSSA-N 1 0 247.382 3.743 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC=C(C)C)cc1 ZINC000185490907 367132948 /nfs/dbraw/zinc/13/29/48/367132948.db2.gz KEUGHDHYZQSSRH-UONOGXRCSA-N 1 0 247.382 3.743 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC=C(C)C)cc1 ZINC000185490927 367133255 /nfs/dbraw/zinc/13/32/55/367133255.db2.gz KEUGHDHYZQSSRH-KGLIPLIRSA-N 1 0 247.382 3.743 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC=C(C)C)cc1 ZINC000185490945 367133580 /nfs/dbraw/zinc/13/35/80/367133580.db2.gz KEUGHDHYZQSSRH-KBPBESRZSA-N 1 0 247.382 3.743 20 0 BHADRO CCC[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185493423 388588087 /nfs/dbraw/zinc/58/80/87/388588087.db2.gz BKZRVSRYTBTKLQ-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000185495074 388587750 /nfs/dbraw/zinc/58/77/50/388587750.db2.gz ZOULQIGJUKYOSU-UHFFFAOYSA-N 1 0 249.320 3.839 20 0 BHADRO C[N@H+](CC1CC1)CC1CCC(C(F)(F)F)CC1 ZINC000185500626 388587636 /nfs/dbraw/zinc/58/76/36/388587636.db2.gz JRDJCYPDWUAWJT-UHFFFAOYSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000185512369 388588257 /nfs/dbraw/zinc/58/82/57/388588257.db2.gz MTFALBFGQYOBKQ-VOMCLLRMSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1CCC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000185512388 388588906 /nfs/dbraw/zinc/58/89/06/388588906.db2.gz MTFALBFGQYOBKQ-UNXYVOJBSA-N 1 0 249.320 3.839 20 0 BHADRO C[N@H+](CC1CCC(C(F)(F)F)CC1)C1CCC1 ZINC000185514638 388588271 /nfs/dbraw/zinc/58/82/71/388588271.db2.gz VHKVIOOXAPPRAY-UHFFFAOYSA-N 1 0 249.320 3.839 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C(C)C)c1cccnc1 ZINC000185516164 367134495 /nfs/dbraw/zinc/13/44/95/367134495.db2.gz UREGQYSLIHEOIR-HIFRSBDPSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1cccnc1 ZINC000185516181 367134603 /nfs/dbraw/zinc/13/46/03/367134603.db2.gz UREGQYSLIHEOIR-UKRRQHHQSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C(C)C)c1cccnc1 ZINC000185516194 367134405 /nfs/dbraw/zinc/13/44/05/367134405.db2.gz UREGQYSLIHEOIR-ZFWWWQNUSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C(C)C)c1cccnc1 ZINC000185516213 367134579 /nfs/dbraw/zinc/13/45/79/367134579.db2.gz UREGQYSLIHEOIR-DZGCQCFKSA-N 1 0 234.387 3.805 20 0 BHADRO FC(F)(F)C1CCC(C[NH+]2CCCCC2)CC1 ZINC000185522928 388588754 /nfs/dbraw/zinc/58/87/54/388588754.db2.gz UOFGVTOBRXSQEV-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO Cc1ccc2[nH+]ccc(NCc3ccoc3)c2c1 ZINC000185538974 134381663 /nfs/dbraw/zinc/38/16/63/134381663.db2.gz ZBOZJTFXIXRBFF-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CCCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185604618 634052637 /nfs/dbraw/zinc/05/26/37/634052637.db2.gz QHZSRSXBQMBOAP-ZFWWWQNUSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185604654 634052130 /nfs/dbraw/zinc/05/21/30/634052130.db2.gz QHZSRSXBQMBOAP-DZGCQCFKSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185604674 634053018 /nfs/dbraw/zinc/05/30/18/634053018.db2.gz QHZSRSXBQMBOAP-UKRRQHHQSA-N 1 0 247.382 3.721 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@@H]3C)c2c1 ZINC000185740974 134393171 /nfs/dbraw/zinc/39/31/71/134393171.db2.gz NXGIQOVNAYXAPE-LBPRGKRZSA-N 1 0 226.323 3.532 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@H]3C)c2c1 ZINC000185740998 134392877 /nfs/dbraw/zinc/39/28/77/134392877.db2.gz NXGIQOVNAYXAPE-GFCCVEGCSA-N 1 0 226.323 3.532 20 0 BHADRO CCC1(C(=O)Nc2ccncc2C)CCCCC1 ZINC000185832060 384774890 /nfs/dbraw/zinc/77/48/90/384774890.db2.gz KSTQMGODOFSCSR-UHFFFAOYSA-N 1 0 246.354 3.689 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC000185859684 343110832 /nfs/dbraw/zinc/11/08/32/343110832.db2.gz YENFMIAULGCROQ-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC000185859706 343110771 /nfs/dbraw/zinc/11/07/71/343110771.db2.gz YENFMIAULGCROQ-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000185880332 343305810 /nfs/dbraw/zinc/30/58/10/343305810.db2.gz QYFLRUUKZPTVCG-CQSZACIVSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000185880351 343305542 /nfs/dbraw/zinc/30/55/42/343305542.db2.gz QYFLRUUKZPTVCG-AWEZNQCLSA-N 1 0 232.371 3.545 20 0 BHADRO C[C@H]([NH2+]CCCF)C1(c2ccccc2)CCCC1 ZINC000185959526 345571421 /nfs/dbraw/zinc/57/14/21/345571421.db2.gz DCFRGECIKRAOKU-AWEZNQCLSA-N 1 0 249.373 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCF)C1(c2ccccc2)CCCC1 ZINC000185959547 345571457 /nfs/dbraw/zinc/57/14/57/345571457.db2.gz DCFRGECIKRAOKU-CQSZACIVSA-N 1 0 249.373 3.836 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1 ZINC000185998866 384806829 /nfs/dbraw/zinc/80/68/29/384806829.db2.gz XFIGDLKFMYMESG-HOCLYGCPSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1 ZINC000185998885 384805758 /nfs/dbraw/zinc/80/57/58/384805758.db2.gz XFIGDLKFMYMESG-ZBFHGGJFSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1 ZINC000185998901 176845618 /nfs/dbraw/zinc/84/56/18/176845618.db2.gz XFIGDLKFMYMESG-GOEBONIOSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1 ZINC000185998921 175877345 /nfs/dbraw/zinc/87/73/45/175877345.db2.gz XFIGDLKFMYMESG-GDBMZVCRSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC=CCC1)c1cccnc1 ZINC000186056830 169513688 /nfs/dbraw/zinc/51/36/88/169513688.db2.gz HXLWYJOOBLJOIC-GJZGRUSLSA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccnc1 ZINC000186056848 384816682 /nfs/dbraw/zinc/81/66/82/384816682.db2.gz HXLWYJOOBLJOIC-LSDHHAIUSA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccnc1 ZINC000186056868 384816132 /nfs/dbraw/zinc/81/61/32/384816132.db2.gz HXLWYJOOBLJOIC-CABCVRRESA-N 1 0 230.355 3.621 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccnc1 ZINC000186056882 384817010 /nfs/dbraw/zinc/81/70/10/384817010.db2.gz HXLWYJOOBLJOIC-HUUCEWRRSA-N 1 0 230.355 3.621 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1sccc1OC ZINC000186075057 168391904 /nfs/dbraw/zinc/39/19/04/168391904.db2.gz QDISVBBOGPEUBB-VIFPVBQESA-N 1 0 227.373 3.596 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1sccc1OC ZINC000186075079 168392261 /nfs/dbraw/zinc/39/22/61/168392261.db2.gz QDISVBBOGPEUBB-SECBINFHSA-N 1 0 227.373 3.596 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1sccc1OC ZINC000186076139 385747039 /nfs/dbraw/zinc/74/70/39/385747039.db2.gz SXMILEMATISXJW-JTQLQIEISA-N 1 0 227.373 3.598 20 0 BHADRO CCCCC[NH2+][C@H](C)c1sccc1OC ZINC000186076156 219873190 /nfs/dbraw/zinc/87/31/90/219873190.db2.gz SXMILEMATISXJW-SNVBAGLBSA-N 1 0 227.373 3.598 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000186078157 175379743 /nfs/dbraw/zinc/37/97/43/175379743.db2.gz IKOPOJLIWJIEMT-NSHDSACASA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000186078173 175380220 /nfs/dbraw/zinc/38/02/20/175380220.db2.gz IKOPOJLIWJIEMT-LLVKDONJSA-N 1 0 247.363 3.608 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]C1CCCCC1 ZINC000186078233 385747828 /nfs/dbraw/zinc/74/78/28/385747828.db2.gz UBPKMZGPEHMJCS-JTQLQIEISA-N 1 0 239.384 3.740 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000186078251 385746301 /nfs/dbraw/zinc/74/63/01/385746301.db2.gz UBPKMZGPEHMJCS-SNVBAGLBSA-N 1 0 239.384 3.740 20 0 BHADRO CCC[C@H]([NH2+]CC1(CC)CC1)c1cccnc1 ZINC000186093798 384820551 /nfs/dbraw/zinc/82/05/51/384820551.db2.gz WCTOOAAANHOSLX-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(CC)CC1)c1cccnc1 ZINC000186093817 169399988 /nfs/dbraw/zinc/39/99/88/169399988.db2.gz WCTOOAAANHOSLX-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000186094086 384822078 /nfs/dbraw/zinc/82/20/78/384822078.db2.gz PGOPDJVLJXJHNB-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000186094103 384821416 /nfs/dbraw/zinc/82/14/16/384821416.db2.gz PGOPDJVLJXJHNB-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(C)C)CC1)c1cccnc1 ZINC000186099768 346492280 /nfs/dbraw/zinc/49/22/80/346492280.db2.gz NUKRKLAKAKIQOA-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(C)C)CC1)c1cccnc1 ZINC000186099784 346492152 /nfs/dbraw/zinc/49/21/52/346492152.db2.gz NUKRKLAKAKIQOA-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000186124738 385745375 /nfs/dbraw/zinc/74/53/75/385745375.db2.gz CVCRFGXZGQMXAA-AXFHLTTASA-N 1 0 241.400 3.842 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000186124774 385744338 /nfs/dbraw/zinc/74/43/38/385744338.db2.gz CVCRFGXZGQMXAA-DCAQKATOSA-N 1 0 241.400 3.842 20 0 BHADRO CCSc1cccc(C[N@H+](C)C(C)C)c1 ZINC000186156135 347227347 /nfs/dbraw/zinc/22/73/47/347227347.db2.gz UAGGUCJCUWJBDP-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO CCC[C@H]([NH2+]CC1(C2CC2)CC1)c1cccnc1 ZINC000186161730 169510156 /nfs/dbraw/zinc/51/01/56/169510156.db2.gz VOHMHLDFXAMXEX-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccnc1 ZINC000186161748 169399818 /nfs/dbraw/zinc/39/98/18/169399818.db2.gz VOHMHLDFXAMXEX-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000186163346 349403897 /nfs/dbraw/zinc/40/38/97/349403897.db2.gz TWXZPEGBAVZRSX-VHSXEESVSA-N 1 0 241.400 3.842 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000186163364 349403781 /nfs/dbraw/zinc/40/37/81/349403781.db2.gz TWXZPEGBAVZRSX-NXEZZACHSA-N 1 0 241.400 3.842 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000186163873 384824860 /nfs/dbraw/zinc/82/48/60/384824860.db2.gz CZYIQCPXPZULKE-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000186163887 324182365 /nfs/dbraw/zinc/18/23/65/324182365.db2.gz CZYIQCPXPZULKE-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000186164149 385750419 /nfs/dbraw/zinc/75/04/19/385750419.db2.gz SXPPWOXIZGSGRK-UWVGGRQHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000186164166 385748896 /nfs/dbraw/zinc/74/88/96/385748896.db2.gz SXPPWOXIZGSGRK-ZJUUUORDSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000186164181 385750206 /nfs/dbraw/zinc/75/02/06/385750206.db2.gz SXPPWOXIZGSGRK-VHSXEESVSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000186164201 385749902 /nfs/dbraw/zinc/74/99/02/385749902.db2.gz SXPPWOXIZGSGRK-NXEZZACHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000186174255 385751461 /nfs/dbraw/zinc/75/14/61/385751461.db2.gz KMZNCUZCQIXIAO-QWRGUYRKSA-N 1 0 241.400 3.699 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000186174272 385751236 /nfs/dbraw/zinc/75/12/36/385751236.db2.gz KMZNCUZCQIXIAO-MNOVXSKESA-N 1 0 241.400 3.699 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000186174291 385751301 /nfs/dbraw/zinc/75/13/01/385751301.db2.gz KMZNCUZCQIXIAO-WDEREUQCSA-N 1 0 241.400 3.699 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000186174308 385752416 /nfs/dbraw/zinc/75/24/16/385752416.db2.gz KMZNCUZCQIXIAO-GHMZBOCLSA-N 1 0 241.400 3.699 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccs1 ZINC000186204471 385746007 /nfs/dbraw/zinc/74/60/07/385746007.db2.gz ILINOCRTCFXOBE-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccs1 ZINC000186204485 385747499 /nfs/dbraw/zinc/74/74/99/385747499.db2.gz ILINOCRTCFXOBE-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccs1 ZINC000186204501 385746995 /nfs/dbraw/zinc/74/69/95/385746995.db2.gz ILINOCRTCFXOBE-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccs1 ZINC000186204515 385747120 /nfs/dbraw/zinc/74/71/20/385747120.db2.gz ILINOCRTCFXOBE-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1sccc1OC ZINC000186204899 385747603 /nfs/dbraw/zinc/74/76/03/385747603.db2.gz VIXNTPJQSMFNSR-WDEREUQCSA-N 1 0 241.400 3.986 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1sccc1OC ZINC000186204917 385746477 /nfs/dbraw/zinc/74/64/77/385746477.db2.gz VIXNTPJQSMFNSR-QWRGUYRKSA-N 1 0 241.400 3.986 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1sccc1OC ZINC000186204934 219873227 /nfs/dbraw/zinc/87/32/27/219873227.db2.gz VIXNTPJQSMFNSR-GHMZBOCLSA-N 1 0 241.400 3.986 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1sccc1OC ZINC000186204954 385747920 /nfs/dbraw/zinc/74/79/20/385747920.db2.gz VIXNTPJQSMFNSR-MNOVXSKESA-N 1 0 241.400 3.986 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)o1 ZINC000186210332 385747880 /nfs/dbraw/zinc/74/78/80/385747880.db2.gz CJYQJIUAQKWTEQ-CMPLNLGQSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)o1 ZINC000186210342 385747555 /nfs/dbraw/zinc/74/75/55/385747555.db2.gz CJYQJIUAQKWTEQ-JQWIXIFHSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC2CC2)o1 ZINC000186210357 385747407 /nfs/dbraw/zinc/74/74/07/385747407.db2.gz CJYQJIUAQKWTEQ-ZYHUDNBSSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCC2CC2)o1 ZINC000186210376 385747686 /nfs/dbraw/zinc/74/76/86/385747686.db2.gz CJYQJIUAQKWTEQ-PWSUYJOCSA-N 1 0 221.344 3.817 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000186215269 175380350 /nfs/dbraw/zinc/38/03/50/175380350.db2.gz LXABJAPJPKJSGP-QWRGUYRKSA-N 1 0 237.368 3.516 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000186215287 175380172 /nfs/dbraw/zinc/38/01/72/175380172.db2.gz LXABJAPJPKJSGP-MNOVXSKESA-N 1 0 237.368 3.516 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000186215305 175379450 /nfs/dbraw/zinc/37/94/50/175379450.db2.gz LXABJAPJPKJSGP-WDEREUQCSA-N 1 0 237.368 3.516 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000186215321 175379533 /nfs/dbraw/zinc/37/95/33/175379533.db2.gz LXABJAPJPKJSGP-GHMZBOCLSA-N 1 0 237.368 3.516 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186219583 385750240 /nfs/dbraw/zinc/75/02/40/385750240.db2.gz SEJGWLJAVBKJPD-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186219604 385750260 /nfs/dbraw/zinc/75/02/60/385750260.db2.gz SEJGWLJAVBKJPD-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000186219628 385749957 /nfs/dbraw/zinc/74/99/57/385749957.db2.gz HVDOSGCOWVXELY-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000186219643 385748880 /nfs/dbraw/zinc/74/88/80/385748880.db2.gz HVDOSGCOWVXELY-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCF ZINC000186224143 346499104 /nfs/dbraw/zinc/49/91/04/346499104.db2.gz SEZVPPDBTISHMG-AWEZNQCLSA-N 1 0 235.346 3.630 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCF ZINC000186224158 346499190 /nfs/dbraw/zinc/49/91/90/346499190.db2.gz SEZVPPDBTISHMG-CQSZACIVSA-N 1 0 235.346 3.630 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H](C)CCC1CC1 ZINC000186224518 388598204 /nfs/dbraw/zinc/59/82/04/388598204.db2.gz ICJDJXIXYFMAAB-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccccc1C[NH2+][C@H](C)CCC1CC1 ZINC000186224538 385750049 /nfs/dbraw/zinc/75/00/49/385750049.db2.gz ICJDJXIXYFMAAB-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cc1cccs1 ZINC000186226566 385749083 /nfs/dbraw/zinc/74/90/83/385749083.db2.gz XYVWXWBZVVTMJQ-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)Cc1cccs1 ZINC000186226587 385748714 /nfs/dbraw/zinc/74/87/14/385748714.db2.gz XYVWXWBZVVTMJQ-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)CCC1CC1 ZINC000186226607 385750367 /nfs/dbraw/zinc/75/03/67/385750367.db2.gz XYVWXWBZVVTMJQ-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)Cc1cccs1 ZINC000186226625 385749230 /nfs/dbraw/zinc/74/92/30/385749230.db2.gz XYVWXWBZVVTMJQ-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000186227129 385749013 /nfs/dbraw/zinc/74/90/13/385749013.db2.gz WHFVTPFKFLUBOL-MNOVXSKESA-N 1 0 241.400 3.842 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000186227148 385750164 /nfs/dbraw/zinc/75/01/64/385750164.db2.gz WHFVTPFKFLUBOL-QWRGUYRKSA-N 1 0 241.400 3.842 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000186227167 385750604 /nfs/dbraw/zinc/75/06/04/385750604.db2.gz WHFVTPFKFLUBOL-GHMZBOCLSA-N 1 0 241.400 3.842 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000186227184 385748734 /nfs/dbraw/zinc/74/87/34/385748734.db2.gz WHFVTPFKFLUBOL-WDEREUQCSA-N 1 0 241.400 3.842 20 0 BHADRO CCSc1cccc(C[N@H+](C)C2CCC2)c1 ZINC000186231559 347229382 /nfs/dbraw/zinc/22/93/82/347229382.db2.gz SCTJFTLLTBXZAM-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCc2occc21 ZINC000186239706 259408850 /nfs/dbraw/zinc/40/88/50/259408850.db2.gz QPFXESSBIYJTGR-SMDDNHRTSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCc2occc21 ZINC000186239722 256863161 /nfs/dbraw/zinc/86/31/61/256863161.db2.gz QPFXESSBIYJTGR-BXUZGUMPSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCc2occc21 ZINC000186239742 385752369 /nfs/dbraw/zinc/75/23/69/385752369.db2.gz QPFXESSBIYJTGR-FZMZJTMJSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCc2occc21 ZINC000186239761 388599443 /nfs/dbraw/zinc/59/94/43/388599443.db2.gz QPFXESSBIYJTGR-RISCZKNCSA-N 1 0 233.355 3.825 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000186265982 256863300 /nfs/dbraw/zinc/86/33/00/256863300.db2.gz WSGDUCFPBKCWJO-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000186266000 388598714 /nfs/dbraw/zinc/59/87/14/388598714.db2.gz WSGDUCFPBKCWJO-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000186266018 385753899 /nfs/dbraw/zinc/75/38/99/385753899.db2.gz WSGDUCFPBKCWJO-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000186266034 259408873 /nfs/dbraw/zinc/40/88/73/259408873.db2.gz WSGDUCFPBKCWJO-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CC(C)(C)C)cs1 ZINC000186279406 411293290 /nfs/dbraw/zinc/29/32/90/411293290.db2.gz VAPMQDQRDUHHQI-SNVBAGLBSA-N 1 0 240.416 3.963 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CC(C)(C)C)cs1 ZINC000186279424 411293150 /nfs/dbraw/zinc/29/31/50/411293150.db2.gz VAPMQDQRDUHHQI-JTQLQIEISA-N 1 0 240.416 3.963 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCOC1CCCC1 ZINC000186298579 388599439 /nfs/dbraw/zinc/59/94/39/388599439.db2.gz CWKXACRZOGMIDL-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCOC1CCCC1 ZINC000186298594 256863100 /nfs/dbraw/zinc/86/31/00/256863100.db2.gz CWKXACRZOGMIDL-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)n1 ZINC000186313036 385754356 /nfs/dbraw/zinc/75/43/56/385754356.db2.gz BJSZVYIOWVLENO-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CCC2CC2)n1 ZINC000186313053 259409520 /nfs/dbraw/zinc/40/95/20/259409520.db2.gz BJSZVYIOWVLENO-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CCC2CC2)n1 ZINC000186313071 385754707 /nfs/dbraw/zinc/75/47/07/385754707.db2.gz BJSZVYIOWVLENO-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)CCC2CC2)n1 ZINC000186313088 385755157 /nfs/dbraw/zinc/75/51/57/385755157.db2.gz BJSZVYIOWVLENO-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO CSCCCCCCNc1cc[nH+]c(C)c1 ZINC000186320943 634071430 /nfs/dbraw/zinc/07/14/30/634071430.db2.gz WGMVKDHDEGIPMH-UHFFFAOYSA-N 1 0 238.400 3.725 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000186321874 385755361 /nfs/dbraw/zinc/75/53/61/385755361.db2.gz NNWYEKNMDNQYQV-RYUDHWBXSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000186321892 385756028 /nfs/dbraw/zinc/75/60/28/385756028.db2.gz NNWYEKNMDNQYQV-NEPJUHHUSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc(O)c1 ZINC000186321909 385755666 /nfs/dbraw/zinc/75/56/66/385755666.db2.gz NNWYEKNMDNQYQV-NWDGAFQWSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000186321926 385755607 /nfs/dbraw/zinc/75/56/07/385755607.db2.gz NNWYEKNMDNQYQV-VXGBXAGGSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCNc1ccccc1 ZINC000186345825 388599198 /nfs/dbraw/zinc/59/91/98/388599198.db2.gz IYRGRQUSNHMQFB-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCNc1ccccc1 ZINC000186345840 384353651 /nfs/dbraw/zinc/35/36/51/384353651.db2.gz IYRGRQUSNHMQFB-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1nccs1 ZINC000186348226 385754785 /nfs/dbraw/zinc/75/47/85/385754785.db2.gz GLRDTEUZNMQUKC-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1nccs1 ZINC000186348244 385756229 /nfs/dbraw/zinc/75/62/29/385756229.db2.gz GLRDTEUZNMQUKC-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC1CC1)c1nccs1 ZINC000186348258 385755578 /nfs/dbraw/zinc/75/55/78/385755578.db2.gz GLRDTEUZNMQUKC-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1nccs1 ZINC000186348272 385754512 /nfs/dbraw/zinc/75/45/12/385754512.db2.gz GLRDTEUZNMQUKC-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1ccc(CSCc2ccco2)c(C)n1 ZINC000186349281 387100309 /nfs/dbraw/zinc/10/03/09/387100309.db2.gz MFDAZYDKIXHGDZ-UHFFFAOYSA-N 1 0 233.336 3.725 20 0 BHADRO Cc1ccc(CSc2ccccc2)c(C)n1 ZINC000186352902 387100924 /nfs/dbraw/zinc/10/09/24/387100924.db2.gz DLAAVQSVFDAUAV-UHFFFAOYSA-N 1 0 229.348 3.991 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccncc1 ZINC000186356083 171536575 /nfs/dbraw/zinc/53/65/75/171536575.db2.gz ZHFDLBZEQMRMNV-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccncc1 ZINC000186356098 347231863 /nfs/dbraw/zinc/23/18/63/347231863.db2.gz ZHFDLBZEQMRMNV-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC1CC1)c1ccncc1 ZINC000186356116 171544226 /nfs/dbraw/zinc/54/42/26/171544226.db2.gz ZHFDLBZEQMRMNV-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccncc1 ZINC000186356135 170911014 /nfs/dbraw/zinc/91/10/14/170911014.db2.gz ZHFDLBZEQMRMNV-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H](CCc1cccn1C)[NH2+][C@@H](C)CCC1CC1 ZINC000186361176 388598844 /nfs/dbraw/zinc/59/88/44/388598844.db2.gz BFDLPMYSCSWNMG-KBPBESRZSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@@H](C)CCC1CC1 ZINC000186361194 388599343 /nfs/dbraw/zinc/59/93/43/388599343.db2.gz BFDLPMYSCSWNMG-UONOGXRCSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCc1cccn1C ZINC000186361207 256864439 /nfs/dbraw/zinc/86/44/39/256864439.db2.gz BFDLPMYSCSWNMG-KGLIPLIRSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@H](C)CCC1CC1 ZINC000186361222 388599128 /nfs/dbraw/zinc/59/91/28/388599128.db2.gz BFDLPMYSCSWNMG-ZIAGYGMSSA-N 1 0 248.414 3.515 20 0 BHADRO CSCCCCCNc1ccncc1Cl ZINC000186363618 384839297 /nfs/dbraw/zinc/83/92/97/384839297.db2.gz VWVAFSVTNHVSDX-UHFFFAOYSA-N 1 0 244.791 3.680 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000186366357 385758230 /nfs/dbraw/zinc/75/82/30/385758230.db2.gz IQCUEIFRJPEWKI-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000186366373 385757585 /nfs/dbraw/zinc/75/75/85/385757585.db2.gz IQCUEIFRJPEWKI-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000186366392 385758221 /nfs/dbraw/zinc/75/82/21/385758221.db2.gz IQCUEIFRJPEWKI-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000186366410 385758167 /nfs/dbraw/zinc/75/81/67/385758167.db2.gz IQCUEIFRJPEWKI-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)s1 ZINC000186375545 385757195 /nfs/dbraw/zinc/75/71/95/385757195.db2.gz WEPGTCFBUNZEKS-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCC2CC2)s1 ZINC000186375561 385757474 /nfs/dbraw/zinc/75/74/74/385757474.db2.gz WEPGTCFBUNZEKS-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCC2CC2)s1 ZINC000186375575 385758058 /nfs/dbraw/zinc/75/80/58/385758058.db2.gz WEPGTCFBUNZEKS-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)CCC2CC2)s1 ZINC000186375592 385757517 /nfs/dbraw/zinc/75/75/17/385757517.db2.gz WEPGTCFBUNZEKS-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000186387238 643690630 /nfs/dbraw/zinc/69/06/30/643690630.db2.gz WIHDMAZQOGIUMD-LBPRGKRZSA-N 1 0 237.412 3.521 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000186387253 643690451 /nfs/dbraw/zinc/69/04/51/643690451.db2.gz WIHDMAZQOGIUMD-GFCCVEGCSA-N 1 0 237.412 3.521 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000186387334 175442480 /nfs/dbraw/zinc/44/24/80/175442480.db2.gz AYTZXBABFZGINN-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CCCCC1 ZINC000186404426 346508276 /nfs/dbraw/zinc/50/82/76/346508276.db2.gz FWFDBSKKVSKEOY-MRXNPFEDSA-N 1 0 244.382 3.856 20 0 BHADRO c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CCCCC1 ZINC000186404444 346508240 /nfs/dbraw/zinc/50/82/40/346508240.db2.gz FWFDBSKKVSKEOY-INIZCTEOSA-N 1 0 244.382 3.856 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000186405813 388599918 /nfs/dbraw/zinc/59/99/18/388599918.db2.gz FDBXEHQRDMJPNB-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000186405828 388599703 /nfs/dbraw/zinc/59/97/03/388599703.db2.gz FDBXEHQRDMJPNB-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000186405848 398065092 /nfs/dbraw/zinc/06/50/92/398065092.db2.gz FDBXEHQRDMJPNB-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000186405864 398065548 /nfs/dbraw/zinc/06/55/48/398065548.db2.gz FDBXEHQRDMJPNB-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000186411028 388599789 /nfs/dbraw/zinc/59/97/89/388599789.db2.gz MZJHMILDYCJCJO-CZUORRHYSA-N 1 0 246.398 3.901 20 0 BHADRO CCC(CC)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000186411045 388599846 /nfs/dbraw/zinc/59/98/46/388599846.db2.gz MZJHMILDYCJCJO-XJKSGUPXSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CCC2CC2)cs1 ZINC000186415206 538973463 /nfs/dbraw/zinc/97/34/63/538973463.db2.gz FHJHZYUKHOMXIS-SNVBAGLBSA-N 1 0 238.400 3.717 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CCC2CC2)cs1 ZINC000186415223 538973546 /nfs/dbraw/zinc/97/35/46/538973546.db2.gz FHJHZYUKHOMXIS-JTQLQIEISA-N 1 0 238.400 3.717 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000186423307 398053838 /nfs/dbraw/zinc/05/38/38/398053838.db2.gz FIUCMHPHPCFLNE-ZBFHGGJFSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000186423324 134416498 /nfs/dbraw/zinc/41/64/98/134416498.db2.gz FIUCMHPHPCFLNE-HOCLYGCPSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)Cc1cccnc1 ZINC000186423344 398053680 /nfs/dbraw/zinc/05/36/80/398053680.db2.gz FIUCMHPHPCFLNE-GDBMZVCRSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)Cc1cccnc1 ZINC000186423361 398053826 /nfs/dbraw/zinc/05/38/26/398053826.db2.gz FIUCMHPHPCFLNE-GOEBONIOSA-N 1 0 244.382 3.506 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCC1=CCCC1 ZINC000186431627 385760859 /nfs/dbraw/zinc/76/08/59/385760859.db2.gz APGKSKPDODYDMC-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCC1=CCCC1 ZINC000186431642 205722492 /nfs/dbraw/zinc/72/24/92/205722492.db2.gz APGKSKPDODYDMC-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186438050 167006886 /nfs/dbraw/zinc/00/68/86/167006886.db2.gz QFAAVSIDOYXISR-LBPRGKRZSA-N 1 0 245.288 3.578 20 0 BHADRO CC(C)C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186438062 167006146 /nfs/dbraw/zinc/00/61/46/167006146.db2.gz QFAAVSIDOYXISR-GFCCVEGCSA-N 1 0 245.288 3.578 20 0 BHADRO C[C@@H](CCC1CC1)Nc1cccc(C[NH+](C)C)c1 ZINC000186454123 388599958 /nfs/dbraw/zinc/59/99/58/388599958.db2.gz TYMQDFAECRFKHG-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@H](CCC1CC1)Nc1cccc(C[NH+](C)C)c1 ZINC000186454140 388599980 /nfs/dbraw/zinc/59/99/80/388599980.db2.gz TYMQDFAECRFKHG-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000186494897 385761546 /nfs/dbraw/zinc/76/15/46/385761546.db2.gz KBWRSZJDNQLNLE-WCQYABFASA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000186494914 256864991 /nfs/dbraw/zinc/86/49/91/256864991.db2.gz KBWRSZJDNQLNLE-DGCLKSJQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000186494931 256864992 /nfs/dbraw/zinc/86/49/92/256864992.db2.gz KBWRSZJDNQLNLE-AAEUAGOBSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000186494943 388600689 /nfs/dbraw/zinc/60/06/89/388600689.db2.gz KBWRSZJDNQLNLE-YPMHNXCESA-N 1 0 239.403 3.501 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC(C)CC2)c(C)n1 ZINC000186498624 387098971 /nfs/dbraw/zinc/09/89/71/387098971.db2.gz ABIOKVWOMBXINK-UHFFFAOYSA-N 1 0 246.398 3.709 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000186505587 388600595 /nfs/dbraw/zinc/60/05/95/388600595.db2.gz LFEAULVJLPLDAW-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000186505604 388600423 /nfs/dbraw/zinc/60/04/23/388600423.db2.gz LFEAULVJLPLDAW-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCC[C@H]1CCCCO1 ZINC000186505621 388600719 /nfs/dbraw/zinc/60/07/19/388600719.db2.gz LFEAULVJLPLDAW-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCC[C@H]1CCCCO1 ZINC000186505637 256611242 /nfs/dbraw/zinc/61/12/42/256611242.db2.gz LFEAULVJLPLDAW-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(CC)CC[NH+](CCc2cccnc2)CC1 ZINC000186548228 398055033 /nfs/dbraw/zinc/05/50/33/398055033.db2.gz VRUQFZPTRKMHPF-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cscn2)CC1 ZINC000186552167 398055071 /nfs/dbraw/zinc/05/50/71/398055071.db2.gz AMMDICNSRFCMGX-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CCC1(CC)CC[NH+](CCc2ccncc2)CC1 ZINC000186552792 398054879 /nfs/dbraw/zinc/05/48/79/398054879.db2.gz AEZWBWVTQYRSHA-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(OC(C)C)C2)cc1 ZINC000186556949 256864997 /nfs/dbraw/zinc/86/49/97/256864997.db2.gz ZREVXPOTMCBVEA-IUDNXUCKSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(OC(C)C)C2)cc1 ZINC000186556969 256865060 /nfs/dbraw/zinc/86/50/60/256865060.db2.gz ZREVXPOTMCBVEA-JEYLPNPQSA-N 1 0 247.382 3.602 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCCC1 ZINC000186559419 387110851 /nfs/dbraw/zinc/11/08/51/387110851.db2.gz HDAGUYYMNHBKNZ-VIFPVBQESA-N 1 0 227.710 3.636 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)[NH+]1CCCC1 ZINC000186559439 387110698 /nfs/dbraw/zinc/11/06/98/387110698.db2.gz HDAGUYYMNHBKNZ-SECBINFHSA-N 1 0 227.710 3.636 20 0 BHADRO CCC1(CC)CC[NH+](CCc2ccccn2)CC1 ZINC000186561083 387110246 /nfs/dbraw/zinc/11/02/46/387110246.db2.gz NUUBTSVIEXIFAA-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186578704 385772901 /nfs/dbraw/zinc/77/29/01/385772901.db2.gz SBLNPUQSJOSCHS-CYBMUJFWSA-N 1 0 217.356 3.540 20 0 BHADRO CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186578719 385772809 /nfs/dbraw/zinc/77/28/09/385772809.db2.gz SBLNPUQSJOSCHS-ZDUSSCGKSA-N 1 0 217.356 3.540 20 0 BHADRO c1ccc(CC2([NH2+]C3CCCCC3)CC2)cc1 ZINC000186582938 323083301 /nfs/dbraw/zinc/08/33/01/323083301.db2.gz GMEYUXUNXZXQBF-UHFFFAOYSA-N 1 0 229.367 3.684 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccoc1 ZINC000186583664 346521880 /nfs/dbraw/zinc/52/18/80/346521880.db2.gz YNADVWMFQHZVLH-ZDUSSCGKSA-N 1 0 241.334 3.706 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccoc1 ZINC000186583683 346521975 /nfs/dbraw/zinc/52/19/75/346521975.db2.gz YNADVWMFQHZVLH-CYBMUJFWSA-N 1 0 241.334 3.706 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186583709 256864966 /nfs/dbraw/zinc/86/49/66/256864966.db2.gz UXAYJDQEKDXXEK-ZDUSSCGKSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186583730 388601265 /nfs/dbraw/zinc/60/12/65/388601265.db2.gz UXAYJDQEKDXXEK-CYBMUJFWSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccco1 ZINC000186586443 384859832 /nfs/dbraw/zinc/85/98/32/384859832.db2.gz QFOKNIAARAHTJB-ZDUSSCGKSA-N 1 0 241.334 3.706 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccco1 ZINC000186586463 384857082 /nfs/dbraw/zinc/85/70/82/384857082.db2.gz QFOKNIAARAHTJB-CYBMUJFWSA-N 1 0 241.334 3.706 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000186586595 388601552 /nfs/dbraw/zinc/60/15/52/388601552.db2.gz VTCSBWXOTRTIIR-HIFRSBDPSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000186586612 388601217 /nfs/dbraw/zinc/60/12/17/388601217.db2.gz VTCSBWXOTRTIIR-ZFWWWQNUSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000186586628 388601484 /nfs/dbraw/zinc/60/14/84/388601484.db2.gz VTCSBWXOTRTIIR-UKRRQHHQSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000186586648 388601293 /nfs/dbraw/zinc/60/12/93/388601293.db2.gz VTCSBWXOTRTIIR-DZGCQCFKSA-N 1 0 229.367 3.540 20 0 BHADRO FC(F)(F)C1CCC(C[NH2+]CC2CCC2)CC1 ZINC000186607412 388601162 /nfs/dbraw/zinc/60/11/62/388601162.db2.gz ITSZACXESMKCQS-UHFFFAOYSA-N 1 0 249.320 3.745 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCCC2(CC2)C1 ZINC000186607505 388601781 /nfs/dbraw/zinc/60/17/81/388601781.db2.gz FFPORNAPMMLUFK-XBXARRHUSA-N 1 0 227.351 3.576 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CCCC3(CC3)C2)[nH]1 ZINC000186607590 183339474 /nfs/dbraw/zinc/33/94/74/183339474.db2.gz ZJUXYYAYRLRAPK-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CC(C)(CC1CCCCCC1)[NH2+]Cc1cnc[nH]1 ZINC000186609837 388601231 /nfs/dbraw/zinc/60/12/31/388601231.db2.gz MUOXDERJSOBSOQ-UHFFFAOYSA-N 1 0 249.402 3.638 20 0 BHADRO CC(C)(CC1CCCCCC1)[NH2+]Cc1ncc[nH]1 ZINC000186610196 398069666 /nfs/dbraw/zinc/06/96/66/398069666.db2.gz ICQPXPHDPRMFMV-UHFFFAOYSA-N 1 0 249.402 3.638 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186610383 644128214 /nfs/dbraw/zinc/12/82/14/644128214.db2.gz QYNWFAKKZGFEKU-CYBMUJFWSA-N 1 0 249.398 3.582 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186610402 644128328 /nfs/dbraw/zinc/12/83/28/644128328.db2.gz QYNWFAKKZGFEKU-ZDUSSCGKSA-N 1 0 249.398 3.582 20 0 BHADRO CCC[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186613365 388601070 /nfs/dbraw/zinc/60/10/70/388601070.db2.gz SJQBISXNWAXZJR-CYBMUJFWSA-N 1 0 245.366 3.670 20 0 BHADRO CCC[C@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186613383 388601516 /nfs/dbraw/zinc/60/15/16/388601516.db2.gz SJQBISXNWAXZJR-ZDUSSCGKSA-N 1 0 245.366 3.670 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186619525 644128671 /nfs/dbraw/zinc/12/86/71/644128671.db2.gz PVUMEOVIHKELLR-OAHLLOKOSA-N 1 0 249.398 3.582 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186619546 644128412 /nfs/dbraw/zinc/12/84/12/644128412.db2.gz PVUMEOVIHKELLR-HNNXBMFYSA-N 1 0 249.398 3.582 20 0 BHADRO Clc1ccc(C[N@@H+]2CCCC3(CC3)C2)s1 ZINC000186624640 387117549 /nfs/dbraw/zinc/11/75/49/387117549.db2.gz RGUBIPBJTQHYKR-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCOC(C)C ZINC000186641575 538973871 /nfs/dbraw/zinc/97/38/71/538973871.db2.gz WTRMFVWVUXGGPT-HIFRSBDPSA-N 1 0 247.382 3.558 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCOC(C)C ZINC000186641592 538974031 /nfs/dbraw/zinc/97/40/31/538974031.db2.gz WTRMFVWVUXGGPT-ZFWWWQNUSA-N 1 0 247.382 3.558 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCOC(C)C ZINC000186641607 538973847 /nfs/dbraw/zinc/97/38/47/538973847.db2.gz WTRMFVWVUXGGPT-UKRRQHHQSA-N 1 0 247.382 3.558 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCOC(C)C ZINC000186641625 538973815 /nfs/dbraw/zinc/97/38/15/538973815.db2.gz WTRMFVWVUXGGPT-DZGCQCFKSA-N 1 0 247.382 3.558 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1C)C1CCCCC1 ZINC000186663716 387119355 /nfs/dbraw/zinc/11/93/55/387119355.db2.gz LZDGNZLMFCFDOU-UHFFFAOYSA-N 1 0 246.398 3.853 20 0 BHADRO Cc1ccc(C[N@@H+](CCC(C)C)C2CC2)c(C)n1 ZINC000186667818 538973907 /nfs/dbraw/zinc/97/39/07/538973907.db2.gz WDULHTQJKYCROG-UHFFFAOYSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C(C)C)c(C)n1 ZINC000186669282 387119846 /nfs/dbraw/zinc/11/98/46/387119846.db2.gz NBYTVMMQGGZLHM-UHFFFAOYSA-N 1 0 234.387 3.565 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(C)n1 ZINC000186669959 387120125 /nfs/dbraw/zinc/12/01/25/387120125.db2.gz SIXDNLQVWOQCKM-BLLLJJGKSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(C)n1 ZINC000186669984 387119315 /nfs/dbraw/zinc/11/93/15/387119315.db2.gz SIXDNLQVWOQCKM-LRDDRELGSA-N 1 0 246.398 3.709 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)c1nccs1 ZINC000186747171 384875305 /nfs/dbraw/zinc/87/53/05/384875305.db2.gz IOOGNCAMLGEUHH-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)c1nccs1 ZINC000186747191 176857172 /nfs/dbraw/zinc/85/71/72/176857172.db2.gz IOOGNCAMLGEUHH-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccccc1 ZINC000186747205 384876165 /nfs/dbraw/zinc/87/61/65/384876165.db2.gz IOOGNCAMLGEUHH-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccccc1)c1nccs1 ZINC000186747222 384877035 /nfs/dbraw/zinc/87/70/35/384877035.db2.gz IOOGNCAMLGEUHH-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186767657 388603765 /nfs/dbraw/zinc/60/37/65/388603765.db2.gz QJWVPAOYLHMCHE-GFCCVEGCSA-N 1 0 242.366 3.715 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186767678 388603643 /nfs/dbraw/zinc/60/36/43/388603643.db2.gz QJWVPAOYLHMCHE-LBPRGKRZSA-N 1 0 242.366 3.715 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCCC1(C)C ZINC000186775036 205723374 /nfs/dbraw/zinc/72/33/74/205723374.db2.gz YDJZAQVIMHQMII-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCCC1(C)C ZINC000186775059 205722981 /nfs/dbraw/zinc/72/29/81/205722981.db2.gz YDJZAQVIMHQMII-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)CCC1CC1 ZINC000186775420 385792814 /nfs/dbraw/zinc/79/28/14/385792814.db2.gz QCIVILTZKQQGGJ-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H](C)CCC1CC1 ZINC000186775436 385793532 /nfs/dbraw/zinc/79/35/32/385793532.db2.gz QCIVILTZKQQGGJ-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCCCSC ZINC000186775465 385793850 /nfs/dbraw/zinc/79/38/50/385793850.db2.gz IEGATMKSBVOGOE-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCCCSC ZINC000186775485 385791994 /nfs/dbraw/zinc/79/19/94/385791994.db2.gz IEGATMKSBVOGOE-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000186775570 385792041 /nfs/dbraw/zinc/79/20/41/385792041.db2.gz LXJIFFHAMKJTRI-GFCCVEGCSA-N 1 0 241.400 3.772 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186775589 385793241 /nfs/dbraw/zinc/79/32/41/385793241.db2.gz LXJIFFHAMKJTRI-LBPRGKRZSA-N 1 0 241.400 3.772 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000186776592 175474608 /nfs/dbraw/zinc/47/46/08/175474608.db2.gz LATFHHWNZHSUPE-NSHDSACASA-N 1 0 243.441 3.932 20 0 BHADRO CSCCCCC[NH2+][C@H](C)c1ccsc1 ZINC000186776611 385793440 /nfs/dbraw/zinc/79/34/40/385793440.db2.gz LATFHHWNZHSUPE-LLVKDONJSA-N 1 0 243.441 3.932 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCCC[C@H]1C ZINC000186777502 385793966 /nfs/dbraw/zinc/79/39/66/385793966.db2.gz TWEGQOWKZKPJMK-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000186777520 385793618 /nfs/dbraw/zinc/79/36/18/385793618.db2.gz TWEGQOWKZKPJMK-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000186777538 385793388 /nfs/dbraw/zinc/79/33/88/385793388.db2.gz TWEGQOWKZKPJMK-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000186777556 385792111 /nfs/dbraw/zinc/79/21/11/385792111.db2.gz TWEGQOWKZKPJMK-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)C(C)(C)C ZINC000186780107 398073147 /nfs/dbraw/zinc/07/31/47/398073147.db2.gz SWFVPNCDXWRDMR-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCCC[NH2+][C@H](C)C(C)(C)C ZINC000186780119 398073081 /nfs/dbraw/zinc/07/30/81/398073081.db2.gz SWFVPNCDXWRDMR-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1C)[C@@H](C)C(C)C ZINC000186780491 387134409 /nfs/dbraw/zinc/13/44/09/387134409.db2.gz GSSOYFIAJVCMHP-AWEZNQCLSA-N 1 0 234.387 3.565 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1C)[C@H](C)C(C)C ZINC000186780510 387134270 /nfs/dbraw/zinc/13/42/70/387134270.db2.gz GSSOYFIAJVCMHP-CQSZACIVSA-N 1 0 234.387 3.565 20 0 BHADRO CSCCCCC[NH2+][C@H](C)CC(C)C ZINC000186781695 385791025 /nfs/dbraw/zinc/79/10/25/385791025.db2.gz TVLTXEAJYSQJMM-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)CC(C)C ZINC000186781709 385791018 /nfs/dbraw/zinc/79/10/18/385791018.db2.gz TVLTXEAJYSQJMM-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)c1cccs1 ZINC000186781727 385790908 /nfs/dbraw/zinc/79/09/08/385790908.db2.gz LTHILIXTFZLBSM-NSHDSACASA-N 1 0 243.441 3.932 20 0 BHADRO CSCCCCC[NH2+][C@H](C)c1cccs1 ZINC000186781744 385790768 /nfs/dbraw/zinc/79/07/68/385790768.db2.gz LTHILIXTFZLBSM-LLVKDONJSA-N 1 0 243.441 3.932 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCCSC ZINC000186781765 385790599 /nfs/dbraw/zinc/79/05/99/385790599.db2.gz RIGVYXRDSLSIQA-VXGBXAGGSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCCSC ZINC000186781782 385790326 /nfs/dbraw/zinc/79/03/26/385790326.db2.gz RIGVYXRDSLSIQA-NWDGAFQWSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCCSC ZINC000186781798 385791078 /nfs/dbraw/zinc/79/10/78/385791078.db2.gz RIGVYXRDSLSIQA-NEPJUHHUSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCCSC ZINC000186781813 385791216 /nfs/dbraw/zinc/79/12/16/385791216.db2.gz RIGVYXRDSLSIQA-RYUDHWBXSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)C(C)C ZINC000186781832 385789896 /nfs/dbraw/zinc/78/98/96/385789896.db2.gz VCLUBMZKIHVEPV-LBPRGKRZSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCCCCSC)C(C)C ZINC000186781846 385791167 /nfs/dbraw/zinc/79/11/67/385791167.db2.gz VCLUBMZKIHVEPV-GFCCVEGCSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCCCCSC ZINC000186782205 385791061 /nfs/dbraw/zinc/79/10/61/385791061.db2.gz WLVGBBGDNNCTPQ-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCC[C@H](CC)[NH2+]CCCCCSC ZINC000186782220 205726020 /nfs/dbraw/zinc/72/60/20/205726020.db2.gz WLVGBBGDNNCTPQ-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000186783268 205723205 /nfs/dbraw/zinc/72/32/05/205723205.db2.gz PNQDDKRBPGQXIH-OAHLLOKOSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC000186783284 205723942 /nfs/dbraw/zinc/72/39/42/205723942.db2.gz PNQDDKRBPGQXIH-HNNXBMFYSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC000186784878 411296515 /nfs/dbraw/zinc/29/65/15/411296515.db2.gz LFKIGEIEUNYCNB-ZDUSSCGKSA-N 1 0 237.412 3.871 20 0 BHADRO CSCCCCC[NH2+][C@H](C)c1ccccc1 ZINC000186784892 411296046 /nfs/dbraw/zinc/29/60/46/411296046.db2.gz LFKIGEIEUNYCNB-CYBMUJFWSA-N 1 0 237.412 3.871 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)C1CCCC1 ZINC000186785450 411295824 /nfs/dbraw/zinc/29/58/24/411295824.db2.gz XXMVOWXSVMGQPG-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H](C)C1CCCC1 ZINC000186785470 411295831 /nfs/dbraw/zinc/29/58/31/411295831.db2.gz XXMVOWXSVMGQPG-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186838354 384888864 /nfs/dbraw/zinc/88/88/64/384888864.db2.gz PTUJIDYMLKUUPX-PWSUYJOCSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186838369 171341285 /nfs/dbraw/zinc/34/12/85/171341285.db2.gz PTUJIDYMLKUUPX-JQWIXIFHSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186838388 384888635 /nfs/dbraw/zinc/88/86/35/384888635.db2.gz PTUJIDYMLKUUPX-ZYHUDNBSSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186838407 171342523 /nfs/dbraw/zinc/34/25/23/171342523.db2.gz PTUJIDYMLKUUPX-CMPLNLGQSA-N 1 0 245.288 3.721 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000186882940 256867555 /nfs/dbraw/zinc/86/75/55/256867555.db2.gz BVKNYWFPUBZXSB-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000186882955 388604466 /nfs/dbraw/zinc/60/44/66/388604466.db2.gz BVKNYWFPUBZXSB-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCC(CC)[NH2+]CC1(CCOC)CCCCC1 ZINC000186884922 388604268 /nfs/dbraw/zinc/60/42/68/388604268.db2.gz WSRHTFOFOGVZGT-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO COCCC1(C[NH2+][C@H](C)C(C)C)CCCCC1 ZINC000186885989 256867985 /nfs/dbraw/zinc/86/79/85/256867985.db2.gz JPOGUCHAEGCWNF-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)C(C)C)CCCCC1 ZINC000186886007 388604618 /nfs/dbraw/zinc/60/46/18/388604618.db2.gz JPOGUCHAEGCWNF-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)([NH2+]CCCF)c1cccc(Cl)c1F ZINC000186892960 385811585 /nfs/dbraw/zinc/81/15/85/385811585.db2.gz YKBFOJOJURFRGF-UHFFFAOYSA-N 1 0 247.716 3.663 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000186901544 347242273 /nfs/dbraw/zinc/24/22/73/347242273.db2.gz DJBUGMRQYSQCHE-GBJTYRQASA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C1CCSCC1 ZINC000186904305 385811780 /nfs/dbraw/zinc/81/17/80/385811780.db2.gz NNDDJZTXNNAQOI-DYEKYZERSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CCSCC1 ZINC000186904341 385811094 /nfs/dbraw/zinc/81/10/94/385811094.db2.gz NNDDJZTXNNAQOI-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)C1CCSCC1 ZINC000186910979 205732375 /nfs/dbraw/zinc/73/23/75/205732375.db2.gz LGMNWADYKFMVDM-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)C1CCSCC1 ZINC000186910996 205731223 /nfs/dbraw/zinc/73/12/23/205731223.db2.gz LGMNWADYKFMVDM-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000186911994 385815444 /nfs/dbraw/zinc/81/54/44/385815444.db2.gz UPGIAARZBRDMJS-OLZOCXBDSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000186912013 385815435 /nfs/dbraw/zinc/81/54/35/385815435.db2.gz UPGIAARZBRDMJS-STQMWFEESA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000186912029 385815167 /nfs/dbraw/zinc/81/51/67/385815167.db2.gz UPGIAARZBRDMJS-CHWSQXEVSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000186912051 385815831 /nfs/dbraw/zinc/81/58/31/385815831.db2.gz UPGIAARZBRDMJS-QWHCGFSZSA-N 1 0 243.460 3.932 20 0 BHADRO CCCCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000186913229 644156612 /nfs/dbraw/zinc/15/66/12/644156612.db2.gz PVNVALYKEGIMCD-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[NH2+][C@H](C)C1CCSCC1 ZINC000186913249 644155787 /nfs/dbraw/zinc/15/57/87/644155787.db2.gz PVNVALYKEGIMCD-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000186918010 388605219 /nfs/dbraw/zinc/60/52/19/388605219.db2.gz GXFZZIZCZBXVDZ-STQMWFEESA-N 1 0 249.423 3.869 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000186918027 388605102 /nfs/dbraw/zinc/60/51/02/388605102.db2.gz GXFZZIZCZBXVDZ-OLZOCXBDSA-N 1 0 249.423 3.869 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCSCC1 ZINC000186918046 388605166 /nfs/dbraw/zinc/60/51/66/388605166.db2.gz GXFZZIZCZBXVDZ-QWHCGFSZSA-N 1 0 249.423 3.869 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccccc1 ZINC000186918065 388605252 /nfs/dbraw/zinc/60/52/52/388605252.db2.gz GXFZZIZCZBXVDZ-CHWSQXEVSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186918606 387144861 /nfs/dbraw/zinc/14/48/61/387144861.db2.gz MBGWCAIJGZZYTR-UHFFFAOYSA-N 1 0 223.385 3.584 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000186923569 388605033 /nfs/dbraw/zinc/60/50/33/388605033.db2.gz XNTBHVYWXARLMU-ZDUSSCGKSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000186923586 388604346 /nfs/dbraw/zinc/60/43/46/388604346.db2.gz XNTBHVYWXARLMU-CYBMUJFWSA-N 1 0 249.423 3.616 20 0 BHADRO Cl/C=C/C[NH+]1CCC(c2ccsc2)CC1 ZINC000186923793 644158349 /nfs/dbraw/zinc/15/83/49/644158349.db2.gz NQZZCZBUOCXFIF-ORCRQEGFSA-N 1 0 241.787 3.680 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)C1CCSCC1 ZINC000186929719 388604673 /nfs/dbraw/zinc/60/46/73/388604673.db2.gz CTUPRMIEDCUYEQ-ZDUSSCGKSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)C1CCSCC1 ZINC000186929738 388605107 /nfs/dbraw/zinc/60/51/07/388605107.db2.gz CTUPRMIEDCUYEQ-CYBMUJFWSA-N 1 0 249.423 3.616 20 0 BHADRO c1cc(C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000186947662 346550036 /nfs/dbraw/zinc/55/00/36/346550036.db2.gz HMPVWDYJSOZTCH-UHFFFAOYSA-N 1 0 235.396 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186955957 387157202 /nfs/dbraw/zinc/15/72/02/387157202.db2.gz RFUZMUGQSQWSIE-ZDUSSCGKSA-N 1 0 215.340 3.624 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186955976 387156794 /nfs/dbraw/zinc/15/67/94/387156794.db2.gz RFUZMUGQSQWSIE-CYBMUJFWSA-N 1 0 215.340 3.624 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186957550 387157222 /nfs/dbraw/zinc/15/72/22/387157222.db2.gz UUVYNOLTEHQUBS-ZDUSSCGKSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186957568 387156890 /nfs/dbraw/zinc/15/68/90/387156890.db2.gz UUVYNOLTEHQUBS-CYBMUJFWSA-N 1 0 245.366 3.632 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2CCSCC2)c1 ZINC000186960269 256868169 /nfs/dbraw/zinc/86/81/69/256868169.db2.gz NHYAJUIYWVYQMS-ZDUSSCGKSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2CCSCC2)c1 ZINC000186960286 256868102 /nfs/dbraw/zinc/86/81/02/256868102.db2.gz NHYAJUIYWVYQMS-CYBMUJFWSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)C1CCSCC1 ZINC000186961896 491087747 /nfs/dbraw/zinc/08/77/47/491087747.db2.gz UYIFKDQZVFTWJF-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)C1CCSCC1 ZINC000186961912 491087733 /nfs/dbraw/zinc/08/77/33/491087733.db2.gz UYIFKDQZVFTWJF-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CCCC2(CC2)C1 ZINC000186962554 387156763 /nfs/dbraw/zinc/15/67/63/387156763.db2.gz RPDRYBPKGDHTNU-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CCCC2(CC2)C1 ZINC000186962573 387156644 /nfs/dbraw/zinc/15/66/44/387156644.db2.gz RPDRYBPKGDHTNU-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000186963977 491087744 /nfs/dbraw/zinc/08/77/44/491087744.db2.gz SAUGWJPKIAQRSV-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000186963992 491087715 /nfs/dbraw/zinc/08/77/15/491087715.db2.gz SAUGWJPKIAQRSV-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CCCC2(CC2)C1 ZINC000186975514 387155234 /nfs/dbraw/zinc/15/52/34/387155234.db2.gz DCYVUZAHQMIXQP-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CCCC2(CC2)C1 ZINC000186975535 387157229 /nfs/dbraw/zinc/15/72/29/387157229.db2.gz DCYVUZAHQMIXQP-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC1)CCS2 ZINC000186979193 398080862 /nfs/dbraw/zinc/08/08/62/398080862.db2.gz ARKDJTALBNGCTH-AWEZNQCLSA-N 1 0 247.407 3.840 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC1)CCS2 ZINC000186979214 398080735 /nfs/dbraw/zinc/08/07/35/398080735.db2.gz ARKDJTALBNGCTH-CQSZACIVSA-N 1 0 247.407 3.840 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CCCC3(CC3)C1)CC2 ZINC000186991348 387158147 /nfs/dbraw/zinc/15/81/47/387158147.db2.gz ZZGUHZIWAVEOEP-OAHLLOKOSA-N 1 0 245.341 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCCC3(CC3)C1)CC2 ZINC000186991371 387159926 /nfs/dbraw/zinc/15/99/26/387159926.db2.gz ZZGUHZIWAVEOEP-HNNXBMFYSA-N 1 0 245.341 3.689 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186998194 387160149 /nfs/dbraw/zinc/16/01/49/387160149.db2.gz ZANPOWNQTJQRJX-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186998211 387158184 /nfs/dbraw/zinc/15/81/84/387158184.db2.gz ZANPOWNQTJQRJX-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)C2CCCC2)c(C)n1 ZINC000187006247 346551582 /nfs/dbraw/zinc/55/15/82/346551582.db2.gz CBFNQYGYDOWXOP-UHFFFAOYSA-N 1 0 244.382 3.605 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187057721 219875667 /nfs/dbraw/zinc/87/56/67/219875667.db2.gz NDKRNJMGLAHTJM-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187057759 386271961 /nfs/dbraw/zinc/27/19/61/386271961.db2.gz NDKRNJMGLAHTJM-SRVKXCTJSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000187069406 386299089 /nfs/dbraw/zinc/29/90/89/386299089.db2.gz JUUGEQPJBIVQMQ-DYEKYZERSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000187069437 386300821 /nfs/dbraw/zinc/30/08/21/386300821.db2.gz JUUGEQPJBIVQMQ-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000187091858 384908592 /nfs/dbraw/zinc/90/85/92/384908592.db2.gz QXGJTDVGFMWKKH-UHFFFAOYSA-N 1 0 229.323 3.522 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000187097200 388606102 /nfs/dbraw/zinc/60/61/02/388606102.db2.gz XVRMUSKQLOOSTJ-UHFFFAOYSA-N 1 0 245.391 3.990 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C)nc1C ZINC000187120515 387168706 /nfs/dbraw/zinc/16/87/06/387168706.db2.gz LDHGDGMKNUPXJV-GFCCVEGCSA-N 1 0 234.387 3.566 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C)nc1C ZINC000187120534 387167116 /nfs/dbraw/zinc/16/71/16/387167116.db2.gz LDHGDGMKNUPXJV-LBPRGKRZSA-N 1 0 234.387 3.566 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000187122954 388605900 /nfs/dbraw/zinc/60/59/00/388605900.db2.gz OFQHLIDQAVWSDK-UHFFFAOYSA-N 1 0 245.391 3.990 20 0 BHADRO CCCc1cccc(C[NH2+]CCCCOCC)c1 ZINC000187132684 388605666 /nfs/dbraw/zinc/60/56/66/388605666.db2.gz ZMLNGPFETQXIQS-UHFFFAOYSA-N 1 0 249.398 3.545 20 0 BHADRO CCCc1cccc(C[NH2+]CCCCCOC)c1 ZINC000187173823 388606060 /nfs/dbraw/zinc/60/60/60/388606060.db2.gz HYGJVVCBTNDJMP-UHFFFAOYSA-N 1 0 249.398 3.545 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)C1CCSCC1 ZINC000187180375 538976019 /nfs/dbraw/zinc/97/60/19/538976019.db2.gz PCFPISHMDLWHKY-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)C1CCSCC1 ZINC000187180394 538975950 /nfs/dbraw/zinc/97/59/50/538975950.db2.gz PCFPISHMDLWHKY-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000187197218 487677322 /nfs/dbraw/zinc/67/73/22/487677322.db2.gz ZCKCWKCCGZTEEI-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)C1CCSCC1 ZINC000187197237 487677160 /nfs/dbraw/zinc/67/71/60/487677160.db2.gz ZCKCWKCCGZTEEI-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCSCC1)C1CCCC1 ZINC000187205819 386499990 /nfs/dbraw/zinc/49/99/90/386499990.db2.gz NRUDUBSMNYJDSR-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)C1CCCC1 ZINC000187205838 386499654 /nfs/dbraw/zinc/49/96/54/386499654.db2.gz NRUDUBSMNYJDSR-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C1CCSCC1 ZINC000187205858 386498949 /nfs/dbraw/zinc/49/89/49/386498949.db2.gz NRUDUBSMNYJDSR-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCSCC1)C1CCCC1 ZINC000187205876 386498310 /nfs/dbraw/zinc/49/83/10/386498310.db2.gz NRUDUBSMNYJDSR-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CCCc1cccc(C[NH2+]C2CCSCC2)c1 ZINC000187211880 259516370 /nfs/dbraw/zinc/51/63/70/259516370.db2.gz VOUMWJDVVIQRIC-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCCC2)c(C)n1 ZINC000187235776 134459442 /nfs/dbraw/zinc/45/94/42/134459442.db2.gz XLNMHYGCJVPIGE-UHFFFAOYSA-N 1 0 246.398 3.851 20 0 BHADRO Cc1ccc2cc(C[N@H+]3CCC[C@@H]3C)ccc2n1 ZINC000187263902 386506385 /nfs/dbraw/zinc/50/63/85/386506385.db2.gz HVAGQANVCVKTEK-ZDUSSCGKSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1ccc2cc(C[N@H+]3CCC[C@H]3C)ccc2n1 ZINC000187263920 386507357 /nfs/dbraw/zinc/50/73/57/386507357.db2.gz HVAGQANVCVKTEK-CYBMUJFWSA-N 1 0 240.350 3.528 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(C)nc1C ZINC000187269991 387183609 /nfs/dbraw/zinc/18/36/09/387183609.db2.gz PSRIDFORECUOEK-UHFFFAOYSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C1CCSCC1 ZINC000187283528 386513196 /nfs/dbraw/zinc/51/31/96/386513196.db2.gz VEOIEMMRDCODBT-WCQYABFASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1CCSCC1 ZINC000187283547 386514105 /nfs/dbraw/zinc/51/41/05/386514105.db2.gz VEOIEMMRDCODBT-DGCLKSJQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C1CCSCC1 ZINC000187283563 386513745 /nfs/dbraw/zinc/51/37/45/386513745.db2.gz VEOIEMMRDCODBT-AAEUAGOBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C1CCSCC1 ZINC000187283579 386514695 /nfs/dbraw/zinc/51/46/95/386514695.db2.gz VEOIEMMRDCODBT-YPMHNXCESA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CCSCC2)CCC1 ZINC000187286978 206012808 /nfs/dbraw/zinc/01/28/08/206012808.db2.gz URBBSIYNBJUEDT-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CCSCC2)CCC1 ZINC000187286996 386514460 /nfs/dbraw/zinc/51/44/60/386514460.db2.gz URBBSIYNBJUEDT-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO C[N@H+](CCCCCOc1ccccc1)C1CCC1 ZINC000187312826 386522130 /nfs/dbraw/zinc/52/21/30/386522130.db2.gz NIVWSJJSSQVQTP-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO Cc1ccc2cc(C[N@@H+](C)C3CCC3)ccc2n1 ZINC000187312895 384933498 /nfs/dbraw/zinc/93/34/98/384933498.db2.gz KHPIWPIDGKQODT-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)C1CCSCC1 ZINC000187320312 386523347 /nfs/dbraw/zinc/52/33/47/386523347.db2.gz FAGBMVVNHFJFDR-WCQYABFASA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)C1CCSCC1 ZINC000187320329 386523743 /nfs/dbraw/zinc/52/37/43/386523743.db2.gz FAGBMVVNHFJFDR-AAEUAGOBSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)C1CCSCC1 ZINC000187320349 205743106 /nfs/dbraw/zinc/74/31/06/205743106.db2.gz FAGBMVVNHFJFDR-DGCLKSJQSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)C1CCSCC1 ZINC000187320367 386523388 /nfs/dbraw/zinc/52/33/88/386523388.db2.gz FAGBMVVNHFJFDR-YPMHNXCESA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)C1CCSCC1 ZINC000187331792 386524815 /nfs/dbraw/zinc/52/48/15/386524815.db2.gz PQCHNBHXQXFYED-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)C1CCSCC1 ZINC000187331808 386525686 /nfs/dbraw/zinc/52/56/86/386525686.db2.gz PQCHNBHXQXFYED-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187356585 386529091 /nfs/dbraw/zinc/52/90/91/386529091.db2.gz HNUVMWIRMVDKJZ-XQQFMLRXSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187356616 386529888 /nfs/dbraw/zinc/52/98/88/386529888.db2.gz HNUVMWIRMVDKJZ-AVGNSLFASA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187364268 386534757 /nfs/dbraw/zinc/53/47/57/386534757.db2.gz CAYLMPYNBOGTOX-LBPRGKRZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187364288 386534816 /nfs/dbraw/zinc/53/48/16/386534816.db2.gz CAYLMPYNBOGTOX-GFCCVEGCSA-N 1 0 241.444 3.544 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187368475 386535600 /nfs/dbraw/zinc/53/56/00/386535600.db2.gz IYELXGKYULHRGZ-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187368493 205744081 /nfs/dbraw/zinc/74/40/81/205744081.db2.gz IYELXGKYULHRGZ-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCCF)C2CCC2)cc1 ZINC000187376154 346570247 /nfs/dbraw/zinc/57/02/47/346570247.db2.gz AZSGDEMHJWQVMI-OAHLLOKOSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCCF)C2CCC2)cc1 ZINC000187376174 346570279 /nfs/dbraw/zinc/57/02/79/346570279.db2.gz AZSGDEMHJWQVMI-HNNXBMFYSA-N 1 0 235.346 3.785 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187391406 386538003 /nfs/dbraw/zinc/53/80/03/386538003.db2.gz XYULEUVHOQCQNH-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187391425 386538551 /nfs/dbraw/zinc/53/85/51/386538551.db2.gz XYULEUVHOQCQNH-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187391437 386536940 /nfs/dbraw/zinc/53/69/40/386536940.db2.gz XYULEUVHOQCQNH-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187391454 386537466 /nfs/dbraw/zinc/53/74/66/386537466.db2.gz XYULEUVHOQCQNH-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)C1CCSCC1 ZINC000187396104 386542675 /nfs/dbraw/zinc/54/26/75/386542675.db2.gz VGQVBXGNVGXNLY-LBPRGKRZSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)C1CCSCC1 ZINC000187396124 386541131 /nfs/dbraw/zinc/54/11/31/386541131.db2.gz VGQVBXGNVGXNLY-GFCCVEGCSA-N 1 0 239.428 3.608 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)c(C)n1 ZINC000187400516 387194676 /nfs/dbraw/zinc/19/46/76/387194676.db2.gz LSWGAVNAYCGAKY-ZDUSSCGKSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)c(C)n1 ZINC000187400530 387195655 /nfs/dbraw/zinc/19/56/55/387195655.db2.gz LSWGAVNAYCGAKY-CYBMUJFWSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCCC2)c(C)n1 ZINC000187410956 387196538 /nfs/dbraw/zinc/19/65/38/387196538.db2.gz QEHRIJKOFSMRQG-ZDUSSCGKSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCCC2)c(C)n1 ZINC000187410975 387198193 /nfs/dbraw/zinc/19/81/93/387198193.db2.gz QEHRIJKOFSMRQG-CYBMUJFWSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc2cc(C[NH+]3CCCCC3)ccc2n1 ZINC000187483240 205805550 /nfs/dbraw/zinc/80/55/50/205805550.db2.gz OTDDLOCXEVNIQH-UHFFFAOYSA-N 1 0 240.350 3.529 20 0 BHADRO c1csc(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000187491479 388608268 /nfs/dbraw/zinc/60/82/68/388608268.db2.gz GTTYSBOSRDBVBE-UHFFFAOYSA-N 1 0 243.375 3.613 20 0 BHADRO c1cc(C[NH2+]C2(Cc3ccccc3)CC2)cs1 ZINC000187492318 387199175 /nfs/dbraw/zinc/19/91/75/387199175.db2.gz QRGXZAMXUPSDNV-UHFFFAOYSA-N 1 0 243.375 3.613 20 0 BHADRO CC(C)(C)CC[NH2+]CCCNc1ccccc1 ZINC000187602401 386571979 /nfs/dbraw/zinc/57/19/79/386571979.db2.gz ATVHMJRMYAZVDH-UHFFFAOYSA-N 1 0 234.387 3.514 20 0 BHADRO c1ccc(OCCCCC[NH2+]C2CCCC2)cc1 ZINC000187610903 386571515 /nfs/dbraw/zinc/57/15/15/386571515.db2.gz GJIZPEOSICCGHB-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CC[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000187613025 386572803 /nfs/dbraw/zinc/57/28/03/386572803.db2.gz BQMUOOWKEUNPAJ-CQSZACIVSA-N 1 0 235.371 3.624 20 0 BHADRO CC[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000187613040 205808686 /nfs/dbraw/zinc/80/86/86/205808686.db2.gz BQMUOOWKEUNPAJ-AWEZNQCLSA-N 1 0 235.371 3.624 20 0 BHADRO C[C@H]([NH2+]CCCCCOc1ccccc1)C1CC1 ZINC000187621348 386575117 /nfs/dbraw/zinc/57/51/17/386575117.db2.gz ZLTXAJXWZZERBG-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]([NH2+]CCCCCOc1ccccc1)C1CC1 ZINC000187621362 386574420 /nfs/dbraw/zinc/57/44/20/386574420.db2.gz ZLTXAJXWZZERBG-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CC1)c1cccc(Cl)c1 ZINC000187621424 386575207 /nfs/dbraw/zinc/57/52/07/386575207.db2.gz FZXDCZDDECFNMQ-QWRGUYRKSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CC1)c1cccc(Cl)c1 ZINC000187621445 386574790 /nfs/dbraw/zinc/57/47/90/386574790.db2.gz FZXDCZDDECFNMQ-MNOVXSKESA-N 1 0 237.774 3.832 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CC1)c1cccc(Cl)c1 ZINC000187621460 205808313 /nfs/dbraw/zinc/80/83/13/205808313.db2.gz FZXDCZDDECFNMQ-WDEREUQCSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000187621473 386574253 /nfs/dbraw/zinc/57/42/53/386574253.db2.gz FZXDCZDDECFNMQ-GHMZBOCLSA-N 1 0 237.774 3.832 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000187668581 388610367 /nfs/dbraw/zinc/61/03/67/388610367.db2.gz QBYVBUYLUPSUKT-CYBMUJFWSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000187668602 388610961 /nfs/dbraw/zinc/61/09/61/388610961.db2.gz QBYVBUYLUPSUKT-ZDUSSCGKSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000187669552 388610850 /nfs/dbraw/zinc/61/08/50/388610850.db2.gz XQGQJKWQXWSIJL-NEPJUHHUSA-N 1 0 238.400 3.511 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000187669566 259312284 /nfs/dbraw/zinc/31/22/84/259312284.db2.gz XQGQJKWQXWSIJL-RYUDHWBXSA-N 1 0 238.400 3.511 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000187673480 180282335 /nfs/dbraw/zinc/28/23/35/180282335.db2.gz OFGWETMKNKFZAH-GXTWGEPZSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000187673499 180283720 /nfs/dbraw/zinc/28/37/20/180283720.db2.gz OFGWETMKNKFZAH-JSGCOSHPSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000187673518 180282774 /nfs/dbraw/zinc/28/27/74/180282774.db2.gz OFGWETMKNKFZAH-TZMCWYRMSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000187673536 180283673 /nfs/dbraw/zinc/28/36/73/180283673.db2.gz OFGWETMKNKFZAH-OCCSQVGLSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000187677514 180280716 /nfs/dbraw/zinc/28/07/16/180280716.db2.gz RCSXWZZVWKEMMN-CYBMUJFWSA-N 1 0 247.386 3.549 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]C1CCCCCCC1 ZINC000187677535 180281343 /nfs/dbraw/zinc/28/13/43/180281343.db2.gz RCSXWZZVWKEMMN-ZDUSSCGKSA-N 1 0 247.386 3.549 20 0 BHADRO c1csc(SCCC[NH+]2CCCCC2)c1 ZINC000187680723 388610820 /nfs/dbraw/zinc/61/08/20/388610820.db2.gz QROQFRLCCAESLX-UHFFFAOYSA-N 1 0 241.425 3.716 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1nccnc1C ZINC000187681275 357518256 /nfs/dbraw/zinc/51/82/56/357518256.db2.gz OCCKGVDLHTVCBS-UONOGXRCSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1nccnc1C ZINC000187681295 357518345 /nfs/dbraw/zinc/51/83/45/357518345.db2.gz OCCKGVDLHTVCBS-KBPBESRZSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1nccnc1C ZINC000187681311 357518263 /nfs/dbraw/zinc/51/82/63/357518263.db2.gz OCCKGVDLHTVCBS-ZIAGYGMSSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1nccnc1C ZINC000187681330 357518208 /nfs/dbraw/zinc/51/82/08/357518208.db2.gz OCCKGVDLHTVCBS-KGLIPLIRSA-N 1 0 249.402 3.652 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCOC)c1ccsc1 ZINC000187687029 205811776 /nfs/dbraw/zinc/81/17/76/205811776.db2.gz JKUUBNNXUPJZPD-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCOC)c1ccsc1 ZINC000187687052 386577439 /nfs/dbraw/zinc/57/74/39/386577439.db2.gz JKUUBNNXUPJZPD-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCOC)c1ccsc1 ZINC000187687071 386577268 /nfs/dbraw/zinc/57/72/68/386577268.db2.gz JKUUBNNXUPJZPD-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCOC)c1ccsc1 ZINC000187687091 386577726 /nfs/dbraw/zinc/57/77/26/386577726.db2.gz JKUUBNNXUPJZPD-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccoc1)c1cccc(Cl)c1 ZINC000187703311 384196029 /nfs/dbraw/zinc/19/60/29/384196029.db2.gz RGULGJOKMXYERN-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H](C[NH2+]Cc1ccoc1)c1cccc(Cl)c1 ZINC000187703330 384196141 /nfs/dbraw/zinc/19/61/41/384196141.db2.gz RGULGJOKMXYERN-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706355 259303876 /nfs/dbraw/zinc/30/38/76/259303876.db2.gz IJLYIKFQQHSKDF-GFCCVEGCSA-N 1 0 242.366 3.715 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706374 259304029 /nfs/dbraw/zinc/30/40/29/259304029.db2.gz IJLYIKFQQHSKDF-LBPRGKRZSA-N 1 0 242.366 3.715 20 0 BHADRO CCC[C@H]([NH2+]CCCSC)c1ccsc1 ZINC000187726426 386588051 /nfs/dbraw/zinc/58/80/51/386588051.db2.gz WORIXQFBKYEJTO-LBPRGKRZSA-N 1 0 243.441 3.932 20 0 BHADRO CCC[C@@H]([NH2+]CCCSC)c1ccsc1 ZINC000187726442 386587941 /nfs/dbraw/zinc/58/79/41/386587941.db2.gz WORIXQFBKYEJTO-GFCCVEGCSA-N 1 0 243.441 3.932 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CSC)c1ccsc1 ZINC000187727075 205812595 /nfs/dbraw/zinc/81/25/95/205812595.db2.gz XKCHOZWEACPPEV-JQWIXIFHSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CSC)c1ccsc1 ZINC000187727091 386586411 /nfs/dbraw/zinc/58/64/11/386586411.db2.gz XKCHOZWEACPPEV-CMPLNLGQSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CSC)c1ccsc1 ZINC000187727106 386587013 /nfs/dbraw/zinc/58/70/13/386587013.db2.gz XKCHOZWEACPPEV-PWSUYJOCSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CSC)c1ccsc1 ZINC000187727125 386586782 /nfs/dbraw/zinc/58/67/82/386586782.db2.gz XKCHOZWEACPPEV-ZYHUDNBSSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)COC)c1ccsc1 ZINC000187728640 386585681 /nfs/dbraw/zinc/58/56/81/386585681.db2.gz KMGSHRGGHBERQR-STQMWFEESA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](CC)COC)c1ccsc1 ZINC000187728653 205813176 /nfs/dbraw/zinc/81/31/76/205813176.db2.gz KMGSHRGGHBERQR-QWHCGFSZSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)COC)c1ccsc1 ZINC000187728674 386586198 /nfs/dbraw/zinc/58/61/98/386586198.db2.gz KMGSHRGGHBERQR-OLZOCXBDSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@H](CC)COC)c1ccsc1 ZINC000187728691 205810100 /nfs/dbraw/zinc/81/01/00/205810100.db2.gz KMGSHRGGHBERQR-CHWSQXEVSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2ccsc2)CC1 ZINC000187729519 259332754 /nfs/dbraw/zinc/33/27/54/259332754.db2.gz YSTRMWZLKYLGGK-LLVKDONJSA-N 1 0 223.385 3.726 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2ccsc2)CC1 ZINC000187729539 259332666 /nfs/dbraw/zinc/33/26/66/259332666.db2.gz YSTRMWZLKYLGGK-NSHDSACASA-N 1 0 223.385 3.726 20 0 BHADRO c1ccc(OCCCCC[NH2+]CC2CCC2)cc1 ZINC000187742721 205816817 /nfs/dbraw/zinc/81/68/17/205816817.db2.gz DNTPYPBYIWNLOU-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@@H](C)Cc1ccsc1 ZINC000187792260 640927930 /nfs/dbraw/zinc/92/79/30/640927930.db2.gz FLAWWPAAHGAPIJ-MALLOTDXSA-N 1 0 243.803 3.754 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@H](C)Cc1ccsc1 ZINC000187792280 640927833 /nfs/dbraw/zinc/92/78/33/640927833.db2.gz FLAWWPAAHGAPIJ-DUMNWFOQSA-N 1 0 243.803 3.754 20 0 BHADRO CCC[C@H]([NH2+]CCCF)c1ccsc1 ZINC000187798400 352565020 /nfs/dbraw/zinc/56/50/20/352565020.db2.gz ABFVMLHFVBYGRO-NSHDSACASA-N 1 0 215.337 3.539 20 0 BHADRO CCC[C@@H]([NH2+]CCCF)c1ccsc1 ZINC000187798419 346614758 /nfs/dbraw/zinc/61/47/58/346614758.db2.gz ABFVMLHFVBYGRO-LLVKDONJSA-N 1 0 215.337 3.539 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)SC)c1ccsc1 ZINC000187803319 205814451 /nfs/dbraw/zinc/81/44/51/205814451.db2.gz VYNOOPNHCGUJSC-PWSUYJOCSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)SC)c1ccsc1 ZINC000187803343 386602058 /nfs/dbraw/zinc/60/20/58/386602058.db2.gz VYNOOPNHCGUJSC-ZYHUDNBSSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)SC)c1ccsc1 ZINC000187803360 386601537 /nfs/dbraw/zinc/60/15/37/386601537.db2.gz VYNOOPNHCGUJSC-JQWIXIFHSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)SC)c1ccsc1 ZINC000187803377 205815280 /nfs/dbraw/zinc/81/52/80/205815280.db2.gz VYNOOPNHCGUJSC-CMPLNLGQSA-N 1 0 243.441 3.930 20 0 BHADRO CCC[C@H]([NH2+]CCOC(C)C)c1ccsc1 ZINC000187915767 386733142 /nfs/dbraw/zinc/73/31/42/386733142.db2.gz DVIRIIYBAJUZOG-ZDUSSCGKSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+]CCOC(C)C)c1ccsc1 ZINC000187915796 169401159 /nfs/dbraw/zinc/40/11/59/169401159.db2.gz DVIRIIYBAJUZOG-CYBMUJFWSA-N 1 0 241.400 3.604 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000187952149 180280722 /nfs/dbraw/zinc/28/07/22/180280722.db2.gz OZMIRPRDFJMINF-GFCCVEGCSA-N 1 0 249.402 3.652 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000187952178 180281734 /nfs/dbraw/zinc/28/17/34/180281734.db2.gz OZMIRPRDFJMINF-LBPRGKRZSA-N 1 0 249.402 3.652 20 0 BHADRO COC1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000188021943 386019953 /nfs/dbraw/zinc/01/99/53/386019953.db2.gz UMBBUBQZSHNYCG-DNDYEEKYSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000188021969 205824180 /nfs/dbraw/zinc/82/41/80/205824180.db2.gz UMBBUBQZSHNYCG-HESLUPGFSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000188021994 386021891 /nfs/dbraw/zinc/02/18/91/386021891.db2.gz UMBBUBQZSHNYCG-LMRVLLHPSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000188022018 386021354 /nfs/dbraw/zinc/02/13/54/386021354.db2.gz UMBBUBQZSHNYCG-ZUJMUWTESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)C)c1ccncc1 ZINC000188025609 171518428 /nfs/dbraw/zinc/51/84/28/171518428.db2.gz KOUKIHJZMXYBFX-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)C)c1ccncc1 ZINC000188025633 386020390 /nfs/dbraw/zinc/02/03/90/386020390.db2.gz KOUKIHJZMXYBFX-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)CC2)cn1 ZINC000188030187 386031687 /nfs/dbraw/zinc/03/16/87/386031687.db2.gz IXOHZDJZROQCAE-KCQAQPDRSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C)CC2)cn1 ZINC000188030231 386031611 /nfs/dbraw/zinc/03/16/11/386031611.db2.gz IXOHZDJZROQCAE-YDHLFZDLSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1cnccn1)CC(C)(C)C ZINC000188031198 491060760 /nfs/dbraw/zinc/06/07/60/491060760.db2.gz DQDXGMKJEVJSFH-STQMWFEESA-N 1 0 249.402 3.590 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1cnccn1)CC(C)(C)C ZINC000188031218 491060758 /nfs/dbraw/zinc/06/07/58/491060758.db2.gz DQDXGMKJEVJSFH-OLZOCXBDSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)c1cnccn1)CC(C)(C)C ZINC000188031244 491060750 /nfs/dbraw/zinc/06/07/50/491060750.db2.gz DQDXGMKJEVJSFH-QWHCGFSZSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1cnccn1 ZINC000188031271 397881468 /nfs/dbraw/zinc/88/14/68/397881468.db2.gz DQDXGMKJEVJSFH-CHWSQXEVSA-N 1 0 249.402 3.590 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H](C)CC(C)(C)C ZINC000188033671 386053544 /nfs/dbraw/zinc/05/35/44/386053544.db2.gz ILFQWDPIBATYFS-KBPBESRZSA-N 1 0 243.435 3.854 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000188033700 386052258 /nfs/dbraw/zinc/05/22/58/386052258.db2.gz ILFQWDPIBATYFS-KGLIPLIRSA-N 1 0 243.435 3.854 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@H](C)CC(C)(C)C ZINC000188033720 386052335 /nfs/dbraw/zinc/05/23/35/386052335.db2.gz ILFQWDPIBATYFS-UONOGXRCSA-N 1 0 243.435 3.854 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000188033741 386052061 /nfs/dbraw/zinc/05/20/61/386052061.db2.gz ILFQWDPIBATYFS-ZIAGYGMSSA-N 1 0 243.435 3.854 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000188038566 180282266 /nfs/dbraw/zinc/28/22/66/180282266.db2.gz HVDRZFQLYVTGBT-WCQYABFASA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000188038583 180283937 /nfs/dbraw/zinc/28/39/37/180283937.db2.gz HVDRZFQLYVTGBT-AAEUAGOBSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000188038609 180282617 /nfs/dbraw/zinc/28/26/17/180282617.db2.gz HVDRZFQLYVTGBT-DGCLKSJQSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000188038626 180283230 /nfs/dbraw/zinc/28/32/30/180283230.db2.gz HVDRZFQLYVTGBT-YPMHNXCESA-N 1 0 249.402 3.650 20 0 BHADRO c1ccc(OCCCCC[NH2+]CCC2CC2)cc1 ZINC000188065331 537941429 /nfs/dbraw/zinc/94/14/29/537941429.db2.gz RESLSIQXIIBJDJ-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO CC(C)[C@@H](C[NH2+]CCC(C)(C)C)c1cccnc1 ZINC000188092368 386178265 /nfs/dbraw/zinc/17/82/65/386178265.db2.gz UKECQOJIVLCRRC-OAHLLOKOSA-N 1 0 248.414 3.847 20 0 BHADRO CC(C)[C@H](C[NH2+]CCC(C)(C)C)c1cccnc1 ZINC000188092394 386177855 /nfs/dbraw/zinc/17/78/55/386177855.db2.gz UKECQOJIVLCRRC-HNNXBMFYSA-N 1 0 248.414 3.847 20 0 BHADRO COCCC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC000188098953 386174737 /nfs/dbraw/zinc/17/47/37/386174737.db2.gz GHEUFALICNRZCI-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1nccnc1C ZINC000188110792 384360398 /nfs/dbraw/zinc/36/03/98/384360398.db2.gz WNKNGTWMTUCIJH-UONOGXRCSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)c1nccnc1C ZINC000188110814 169001851 /nfs/dbraw/zinc/00/18/51/169001851.db2.gz WNKNGTWMTUCIJH-KBPBESRZSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)c1nccnc1C ZINC000188110839 384359993 /nfs/dbraw/zinc/35/99/93/384359993.db2.gz WNKNGTWMTUCIJH-ZIAGYGMSSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)c1nccnc1C ZINC000188110868 169002317 /nfs/dbraw/zinc/00/23/17/169002317.db2.gz WNKNGTWMTUCIJH-KGLIPLIRSA-N 1 0 249.402 3.795 20 0 BHADRO CC(C)c1csc(C[NH2+]CCC(C)(C)C)n1 ZINC000188141273 386254304 /nfs/dbraw/zinc/25/43/04/386254304.db2.gz LNRNVEXJMWGQGC-UHFFFAOYSA-N 1 0 240.416 3.792 20 0 BHADRO CCOCCC1(C[NH2+]CCC(C)(C)C)CCC1 ZINC000188149342 386264442 /nfs/dbraw/zinc/26/44/42/386264442.db2.gz GNTDPYJVFIXUGY-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1nc(C2CC2)cs1 ZINC000188151035 386264904 /nfs/dbraw/zinc/26/49/04/386264904.db2.gz QXWRKLRGSGACOJ-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)OC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000188155464 538977746 /nfs/dbraw/zinc/97/77/46/538977746.db2.gz SIRFBFBLALNAQD-UHFFFAOYSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CCC(C)(C)C ZINC000188205950 641748900 /nfs/dbraw/zinc/74/89/00/641748900.db2.gz DWOONVYPDCOODH-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CCC(C)(C)C ZINC000188205972 641749386 /nfs/dbraw/zinc/74/93/86/641749386.db2.gz DWOONVYPDCOODH-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CCC(C)(C)C ZINC000188205997 641749909 /nfs/dbraw/zinc/74/99/09/641749909.db2.gz DWOONVYPDCOODH-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CCC(C)(C)C ZINC000188206018 634136578 /nfs/dbraw/zinc/13/65/78/634136578.db2.gz DWOONVYPDCOODH-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000188228422 180280506 /nfs/dbraw/zinc/28/05/06/180280506.db2.gz FJIMJVMLSKOBQS-CYBMUJFWSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000188228446 180282387 /nfs/dbraw/zinc/28/23/87/180282387.db2.gz FJIMJVMLSKOBQS-ZDUSSCGKSA-N 1 0 249.402 3.508 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1nccnc1C ZINC000188232737 168315521 /nfs/dbraw/zinc/31/55/21/168315521.db2.gz MPDABJQHOXAIND-ZDUSSCGKSA-N 1 0 249.402 3.652 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1nccnc1C ZINC000188232762 168316228 /nfs/dbraw/zinc/31/62/28/168316228.db2.gz MPDABJQHOXAIND-CYBMUJFWSA-N 1 0 249.402 3.652 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CC1(C2CC2)CC1 ZINC000188266774 386344633 /nfs/dbraw/zinc/34/46/33/386344633.db2.gz OSQSLXQNXRBIFC-LBPRGKRZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CC1(C2CC2)CC1 ZINC000188266799 386345058 /nfs/dbraw/zinc/34/50/58/386345058.db2.gz OSQSLXQNXRBIFC-GFCCVEGCSA-N 1 0 247.357 3.537 20 0 BHADRO CC1([NH2+]CCCCCOc2ccccc2)CCC1 ZINC000188292811 346799291 /nfs/dbraw/zinc/79/92/91/346799291.db2.gz LRWDMQYCZZLJFY-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CC[NH+](CC)CCCSc1cccs1 ZINC000188298376 385685723 /nfs/dbraw/zinc/68/57/23/385685723.db2.gz SNEWRHVVZJSXAN-UHFFFAOYSA-N 1 0 229.414 3.572 20 0 BHADRO Cc1csc([C@@H](C)C[NH2+]CCC(C)(C)C)n1 ZINC000188427412 386499491 /nfs/dbraw/zinc/49/94/91/386499491.db2.gz OCEGMWZRKFYFLV-JTQLQIEISA-N 1 0 240.416 3.581 20 0 BHADRO Cc1csc([C@H](C)C[NH2+]CCC(C)(C)C)n1 ZINC000188427435 386499261 /nfs/dbraw/zinc/49/92/61/386499261.db2.gz OCEGMWZRKFYFLV-SNVBAGLBSA-N 1 0 240.416 3.581 20 0 BHADRO Cc1cnc([C@@H](C)C[NH2+]CCC(C)(C)C)s1 ZINC000188434242 386508757 /nfs/dbraw/zinc/50/87/57/386508757.db2.gz CGEQJOUYEGZCMH-JTQLQIEISA-N 1 0 240.416 3.581 20 0 BHADRO Cc1cnc([C@H](C)C[NH2+]CCC(C)(C)C)s1 ZINC000188434270 386509722 /nfs/dbraw/zinc/50/97/22/386509722.db2.gz CGEQJOUYEGZCMH-SNVBAGLBSA-N 1 0 240.416 3.581 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000188441556 188348676 /nfs/dbraw/zinc/34/86/76/188348676.db2.gz HZUGASXYZATORT-NSHDSACASA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000188441584 191129065 /nfs/dbraw/zinc/12/90/65/191129065.db2.gz HZUGASXYZATORT-LLVKDONJSA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188442210 385050848 /nfs/dbraw/zinc/05/08/48/385050848.db2.gz UQNOOLHMEWRIKU-WDEREUQCSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188442233 386524953 /nfs/dbraw/zinc/52/49/53/386524953.db2.gz UQNOOLHMEWRIKU-QWRGUYRKSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188442255 386525336 /nfs/dbraw/zinc/52/53/36/386525336.db2.gz UQNOOLHMEWRIKU-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188442280 205832016 /nfs/dbraw/zinc/83/20/16/205832016.db2.gz UQNOOLHMEWRIKU-MNOVXSKESA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCc2sccc21 ZINC000188442317 386525318 /nfs/dbraw/zinc/52/53/18/386525318.db2.gz XWDZUZSCALGVLR-GFCCVEGCSA-N 1 0 221.369 3.681 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCc2sccc21 ZINC000188442341 386524536 /nfs/dbraw/zinc/52/45/36/386524536.db2.gz XWDZUZSCALGVLR-LBPRGKRZSA-N 1 0 221.369 3.681 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000188443296 385051950 /nfs/dbraw/zinc/05/19/50/385051950.db2.gz YCHQJOICRQEXGN-GFCCVEGCSA-N 1 0 249.402 3.563 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000188443320 385050904 /nfs/dbraw/zinc/05/09/04/385050904.db2.gz YCHQJOICRQEXGN-LBPRGKRZSA-N 1 0 249.402 3.563 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]CC=C(C)C)s1 ZINC000188443892 353148456 /nfs/dbraw/zinc/14/84/56/353148456.db2.gz PFWNDTNWZLOVKP-SNVBAGLBSA-N 1 0 238.400 3.631 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]CC=C(C)C)s1 ZINC000188443914 353148464 /nfs/dbraw/zinc/14/84/64/353148464.db2.gz PFWNDTNWZLOVKP-JTQLQIEISA-N 1 0 238.400 3.631 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000188445008 357554194 /nfs/dbraw/zinc/55/41/94/357554194.db2.gz JRVTUAHDWHYVAQ-CQSZACIVSA-N 1 0 249.329 3.595 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000188445029 357554553 /nfs/dbraw/zinc/55/45/53/357554553.db2.gz JRVTUAHDWHYVAQ-AWEZNQCLSA-N 1 0 249.329 3.595 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000188445617 259406014 /nfs/dbraw/zinc/40/60/14/259406014.db2.gz PFFBVGSYVPPTIA-ZDUSSCGKSA-N 1 0 240.350 3.852 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000188445637 259406046 /nfs/dbraw/zinc/40/60/46/259406046.db2.gz PFFBVGSYVPPTIA-CYBMUJFWSA-N 1 0 240.350 3.852 20 0 BHADRO CC(C)=CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000188445950 386553037 /nfs/dbraw/zinc/55/30/37/386553037.db2.gz UQQDSGHKRSKDLL-UHFFFAOYSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)=CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000188446386 386553330 /nfs/dbraw/zinc/55/33/30/386553330.db2.gz AJEABELLLUTOAW-UHFFFAOYSA-N 1 0 233.330 3.628 20 0 BHADRO CC(C)=CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000188451519 490347225 /nfs/dbraw/zinc/34/72/25/490347225.db2.gz HUXPEXPMNHFAIQ-UHFFFAOYSA-N 1 0 229.367 3.797 20 0 BHADRO COc1ccc(CC[C@H](C)[NH2+]CC=C(C)C)cc1 ZINC000188452812 386580476 /nfs/dbraw/zinc/58/04/76/386580476.db2.gz MLBHFYGSWHBRJW-AWEZNQCLSA-N 1 0 247.382 3.572 20 0 BHADRO COc1ccc(CC[C@@H](C)[NH2+]CC=C(C)C)cc1 ZINC000188452833 386579683 /nfs/dbraw/zinc/57/96/83/386579683.db2.gz MLBHFYGSWHBRJW-CQSZACIVSA-N 1 0 247.382 3.572 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000188460133 357555443 /nfs/dbraw/zinc/55/54/43/357555443.db2.gz XWAYXIMOKHFOFW-CQSZACIVSA-N 1 0 249.329 3.595 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000188460161 357555162 /nfs/dbraw/zinc/55/51/62/357555162.db2.gz XWAYXIMOKHFOFW-AWEZNQCLSA-N 1 0 249.329 3.595 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000188460193 386658442 /nfs/dbraw/zinc/65/84/42/386658442.db2.gz GSMMYKCAUKTBCZ-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000188460217 386659398 /nfs/dbraw/zinc/65/93/98/386659398.db2.gz GSMMYKCAUKTBCZ-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1sccc1C ZINC000188460501 386658272 /nfs/dbraw/zinc/65/82/72/386658272.db2.gz HAYMFZGLFWIKSY-LLVKDONJSA-N 1 0 209.358 3.673 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1sccc1C ZINC000188460524 386660077 /nfs/dbraw/zinc/66/00/77/386660077.db2.gz HAYMFZGLFWIKSY-NSHDSACASA-N 1 0 209.358 3.673 20 0 BHADRO CSCCCCC[NH2+]CCC(C)(C)C ZINC000188569271 383974450 /nfs/dbraw/zinc/97/44/50/383974450.db2.gz VDNGYXGWFDYMAY-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c1C ZINC000188569631 634149205 /nfs/dbraw/zinc/14/92/05/634149205.db2.gz AVCXMJZXJMGZKO-GJZGRUSLSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000188580686 641762527 /nfs/dbraw/zinc/76/25/27/641762527.db2.gz ZNSQTVNPNGOJNI-ZBFHGGJFSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000188580714 641761651 /nfs/dbraw/zinc/76/16/51/641761651.db2.gz ZNSQTVNPNGOJNI-HOCLYGCPSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000188580735 641761783 /nfs/dbraw/zinc/76/17/83/641761783.db2.gz ZNSQTVNPNGOJNI-GDBMZVCRSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000188580756 641762034 /nfs/dbraw/zinc/76/20/34/641762034.db2.gz ZNSQTVNPNGOJNI-GOEBONIOSA-N 1 0 245.366 3.647 20 0 BHADRO CCOC1CC(CC[NH2+]C2CCCCCC2)C1 ZINC000188651688 387075542 /nfs/dbraw/zinc/07/55/42/387075542.db2.gz BWXRNPQFCYAWTN-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cncs2)CC1 ZINC000188660694 134941634 /nfs/dbraw/zinc/94/16/34/134941634.db2.gz ZNYZROKGIMIMGO-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000188681214 219898302 /nfs/dbraw/zinc/89/83/02/219898302.db2.gz FRKJKTWWNSTTEK-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000188681234 387063816 /nfs/dbraw/zinc/06/38/16/387063816.db2.gz FRKJKTWWNSTTEK-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000188681266 387063225 /nfs/dbraw/zinc/06/32/25/387063225.db2.gz HUWLTCICDUVWTO-KGLIPLIRSA-N 1 0 249.398 3.583 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000188681285 219898443 /nfs/dbraw/zinc/89/84/43/219898443.db2.gz HUWLTCICDUVWTO-ZIAGYGMSSA-N 1 0 249.398 3.583 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000188681308 219897597 /nfs/dbraw/zinc/89/75/97/219897597.db2.gz HUWLTCICDUVWTO-KBPBESRZSA-N 1 0 249.398 3.583 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000188681331 387063549 /nfs/dbraw/zinc/06/35/49/387063549.db2.gz HUWLTCICDUVWTO-UONOGXRCSA-N 1 0 249.398 3.583 20 0 BHADRO c1coc(C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000188693743 385080758 /nfs/dbraw/zinc/08/07/58/385080758.db2.gz OCRPORNPLXYFHI-UHFFFAOYSA-N 1 0 247.363 3.721 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccco1 ZINC000188709461 387084601 /nfs/dbraw/zinc/08/46/01/387084601.db2.gz LOHVHIQNGNSZQE-NSHDSACASA-N 1 0 209.333 3.612 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1ccco1 ZINC000188709482 387085072 /nfs/dbraw/zinc/08/50/72/387085072.db2.gz LOHVHIQNGNSZQE-LLVKDONJSA-N 1 0 209.333 3.612 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000188709625 387084914 /nfs/dbraw/zinc/08/49/14/387084914.db2.gz UFQOUXMDMYGJMO-ZDUSSCGKSA-N 1 0 249.398 3.512 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000188709644 387085543 /nfs/dbraw/zinc/08/55/43/387085543.db2.gz UFQOUXMDMYGJMO-CYBMUJFWSA-N 1 0 249.398 3.512 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000188712136 387084494 /nfs/dbraw/zinc/08/44/94/387084494.db2.gz AFYZHWPBODJWIB-CYBMUJFWSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000188712156 387085708 /nfs/dbraw/zinc/08/57/08/387085708.db2.gz AFYZHWPBODJWIB-ZDUSSCGKSA-N 1 0 234.387 3.723 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000188712607 387086299 /nfs/dbraw/zinc/08/62/99/387086299.db2.gz RHQKCILGDIXYFS-LBPRGKRZSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)C1CCSCC1 ZINC000188712623 205842103 /nfs/dbraw/zinc/84/21/03/205842103.db2.gz RHQKCILGDIXYFS-GFCCVEGCSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000188713291 205842023 /nfs/dbraw/zinc/84/20/23/205842023.db2.gz MNDZUDIDWQTQDQ-NSHDSACASA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000188713314 205842140 /nfs/dbraw/zinc/84/21/40/205842140.db2.gz MNDZUDIDWQTQDQ-LLVKDONJSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccoc1 ZINC000188713900 346835436 /nfs/dbraw/zinc/83/54/36/346835436.db2.gz QYSICLVAUTZEEL-NSHDSACASA-N 1 0 209.333 3.612 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1ccoc1 ZINC000188713920 346835441 /nfs/dbraw/zinc/83/54/41/346835441.db2.gz QYSICLVAUTZEEL-LLVKDONJSA-N 1 0 209.333 3.612 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CC[C@@H]2CCCO2)cc1 ZINC000188753233 358670568 /nfs/dbraw/zinc/67/05/68/358670568.db2.gz NJKHJDWBPRNJPW-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CC[C@@H]2CCCO2)cc1 ZINC000188753253 358670695 /nfs/dbraw/zinc/67/06/95/358670695.db2.gz NJKHJDWBPRNJPW-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO c1nc(C[NH2+]C2CCC3(CCCCC3)CC2)co1 ZINC000188790517 259369986 /nfs/dbraw/zinc/36/99/86/259369986.db2.gz GBLZNLAKTQZVHH-UHFFFAOYSA-N 1 0 248.370 3.657 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1ccccc1 ZINC000188793746 256632639 /nfs/dbraw/zinc/63/26/39/256632639.db2.gz GWUVQSVEDXNVKR-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccccc1 ZINC000188793793 219903041 /nfs/dbraw/zinc/90/30/41/219903041.db2.gz GWUVQSVEDXNVKR-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)C1CCCCC1 ZINC000188818824 388611829 /nfs/dbraw/zinc/61/18/29/388611829.db2.gz POBBXGATZLKXGX-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)C1CCCCC1 ZINC000188818859 388611882 /nfs/dbraw/zinc/61/18/82/388611882.db2.gz POBBXGATZLKXGX-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1ccc(C)cc1 ZINC000188824708 387105653 /nfs/dbraw/zinc/10/56/53/387105653.db2.gz UBJNDDKDMNPQTL-PMPSAXMXSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccc(C)cc1 ZINC000188824753 387105566 /nfs/dbraw/zinc/10/55/66/387105566.db2.gz UBJNDDKDMNPQTL-JYJNAYRXSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H](C)C1 ZINC000188876610 357594408 /nfs/dbraw/zinc/59/44/08/357594408.db2.gz LVLHSAJVYWPLFF-NJZAAPMLSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[C@H](C)C1 ZINC000188876624 357594275 /nfs/dbraw/zinc/59/42/75/357594275.db2.gz LVLHSAJVYWPLFF-CORIIIEPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000188876639 357594261 /nfs/dbraw/zinc/59/42/61/357594261.db2.gz LVLHSAJVYWPLFF-UXIGCNINSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[C@@H](C)C1 ZINC000188876649 357594900 /nfs/dbraw/zinc/59/49/00/357594900.db2.gz LVLHSAJVYWPLFF-OSAQELSMSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+]C1CCCCC1 ZINC000188879158 357594982 /nfs/dbraw/zinc/59/49/82/357594982.db2.gz FJTRHRMUWNMNLJ-OAHLLOKOSA-N 1 0 245.366 3.741 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H](C)C1 ZINC000188949618 134540575 /nfs/dbraw/zinc/54/05/75/134540575.db2.gz LVLHSAJVYWPLFF-LNSITVRQSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[C@H](C)C1 ZINC000188949634 357605728 /nfs/dbraw/zinc/60/57/28/357605728.db2.gz LVLHSAJVYWPLFF-WHOFXGATSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000188949651 134540471 /nfs/dbraw/zinc/54/04/71/134540471.db2.gz LVLHSAJVYWPLFF-KYOSRNDESA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[C@@H](C)C1 ZINC000188949667 357605787 /nfs/dbraw/zinc/60/57/87/357605787.db2.gz LVLHSAJVYWPLFF-ZLDLUXBVSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+]C1CCCCC1 ZINC000188951505 357605605 /nfs/dbraw/zinc/60/56/05/357605605.db2.gz FJTRHRMUWNMNLJ-HNNXBMFYSA-N 1 0 245.366 3.741 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188959839 641779262 /nfs/dbraw/zinc/77/92/62/641779262.db2.gz ZFMHOIYKNIQDQM-GFCCVEGCSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188959865 641779486 /nfs/dbraw/zinc/77/94/86/641779486.db2.gz ZFMHOIYKNIQDQM-LBPRGKRZSA-N 1 0 238.350 3.669 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188960581 641778263 /nfs/dbraw/zinc/77/82/63/641778263.db2.gz JLDPKYUWLRFPTI-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188960602 641778315 /nfs/dbraw/zinc/77/83/15/641778315.db2.gz JLDPKYUWLRFPTI-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(F)nc1 ZINC000188962076 641778627 /nfs/dbraw/zinc/77/86/27/641778627.db2.gz OZPWQAVPXMUPNZ-GFCCVEGCSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccc(F)nc1 ZINC000188962094 641777394 /nfs/dbraw/zinc/77/73/94/641777394.db2.gz OZPWQAVPXMUPNZ-LBPRGKRZSA-N 1 0 238.350 3.527 20 0 BHADRO FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC2)c1 ZINC000188981996 487946445 /nfs/dbraw/zinc/94/64/45/487946445.db2.gz INCHREXDGBIXQE-UHFFFAOYSA-N 1 0 249.663 3.611 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(F)nc1 ZINC000188983005 634158328 /nfs/dbraw/zinc/15/83/28/634158328.db2.gz HNGLFEIEHBMVCX-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO COCCC1(C[NH2+]CCC(C)C)CCCCC1 ZINC000188984759 388615775 /nfs/dbraw/zinc/61/57/75/388615775.db2.gz ZGMSSWBUTZQXFV-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189032875 398096792 /nfs/dbraw/zinc/09/67/92/398096792.db2.gz PTEVHAOGKZQRIB-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189032897 398096819 /nfs/dbraw/zinc/09/68/19/398096819.db2.gz PTEVHAOGKZQRIB-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189033032 398096842 /nfs/dbraw/zinc/09/68/42/398096842.db2.gz YOFGZZQWJIQNLZ-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189033059 398096555 /nfs/dbraw/zinc/09/65/55/398096555.db2.gz YOFGZZQWJIQNLZ-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189034340 357601167 /nfs/dbraw/zinc/60/11/67/357601167.db2.gz RQRWOUCEGGISTD-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189034364 357601130 /nfs/dbraw/zinc/60/11/30/357601130.db2.gz RQRWOUCEGGISTD-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO C1CC2(CCCC2)[C@@H]1[NH2+]C1CCCCC1 ZINC000189036866 385932371 /nfs/dbraw/zinc/93/23/71/385932371.db2.gz UFSXHDDQKLUQCW-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CC2(CCCC2)[C@H]1[NH2+]C1CCCCC1 ZINC000189036889 385932883 /nfs/dbraw/zinc/93/28/83/385932883.db2.gz UFSXHDDQKLUQCW-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189037807 357601628 /nfs/dbraw/zinc/60/16/28/357601628.db2.gz QBMNAMYUQIBEPH-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000189037827 357602335 /nfs/dbraw/zinc/60/23/35/357602335.db2.gz QBMNAMYUQIBEPH-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189040491 206013352 /nfs/dbraw/zinc/01/33/52/206013352.db2.gz MVSCKPQWPSYPOH-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189040515 385933531 /nfs/dbraw/zinc/93/35/31/385933531.db2.gz MVSCKPQWPSYPOH-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189041318 385932897 /nfs/dbraw/zinc/93/28/97/385932897.db2.gz ZYYUKGRQMFLDPH-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1csc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189041339 256632942 /nfs/dbraw/zinc/63/29/42/256632942.db2.gz ZYYUKGRQMFLDPH-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCCC3)o1 ZINC000189042879 357601939 /nfs/dbraw/zinc/60/19/39/357601939.db2.gz KTGJXTFDFVUJRB-TZMCWYRMSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC23CCCC3)o1 ZINC000189042899 357601889 /nfs/dbraw/zinc/60/18/89/357601889.db2.gz KTGJXTFDFVUJRB-GXTWGEPZSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC23CCCC3)o1 ZINC000189042919 134540020 /nfs/dbraw/zinc/54/00/20/134540020.db2.gz KTGJXTFDFVUJRB-OCCSQVGLSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC23CCCC3)o1 ZINC000189042942 357602213 /nfs/dbraw/zinc/60/22/13/357602213.db2.gz KTGJXTFDFVUJRB-JSGCOSHPSA-N 1 0 233.355 3.961 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189043371 357601519 /nfs/dbraw/zinc/60/15/19/357601519.db2.gz YITMXMAAUPYPQO-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189043388 357602261 /nfs/dbraw/zinc/60/22/61/357602261.db2.gz YITMXMAAUPYPQO-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCC23CCCC3)cs1 ZINC000189051642 205848544 /nfs/dbraw/zinc/84/85/44/205848544.db2.gz GEAVKUCIAGDCJY-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCC23CCCC3)cs1 ZINC000189051662 385919577 /nfs/dbraw/zinc/91/95/77/385919577.db2.gz GEAVKUCIAGDCJY-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189052173 388617560 /nfs/dbraw/zinc/61/75/60/388617560.db2.gz HZYIOQBLZVJGAW-GXTWGEPZSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189052193 388617060 /nfs/dbraw/zinc/61/70/60/388617060.db2.gz HZYIOQBLZVJGAW-TZMCWYRMSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC12CCCC2 ZINC000189052211 259536341 /nfs/dbraw/zinc/53/63/41/259536341.db2.gz HZYIOQBLZVJGAW-JSGCOSHPSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC12CCCC2 ZINC000189052232 388617889 /nfs/dbraw/zinc/61/78/89/388617889.db2.gz HZYIOQBLZVJGAW-OCCSQVGLSA-N 1 0 249.423 3.992 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189052362 388617589 /nfs/dbraw/zinc/61/75/89/388617589.db2.gz VMSDPOJRCHZDLY-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189052386 388617150 /nfs/dbraw/zinc/61/71/50/388617150.db2.gz VMSDPOJRCHZDLY-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccc(F)nc1 ZINC000189052584 634164468 /nfs/dbraw/zinc/16/44/68/634164468.db2.gz RNRGEMTVHQTEQG-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCC23CCCC3)cs1 ZINC000189065008 385918753 /nfs/dbraw/zinc/91/87/53/385918753.db2.gz CHDGAKDXPJBHHT-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1cc(C[NH2+][C@H]2CCC23CCCC3)cs1 ZINC000189065032 385918818 /nfs/dbraw/zinc/91/88/18/385918818.db2.gz CHDGAKDXPJBHHT-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189088372 385923362 /nfs/dbraw/zinc/92/33/62/385923362.db2.gz ANCOQWLZKHZIAK-KBPBESRZSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189088390 205846725 /nfs/dbraw/zinc/84/67/25/205846725.db2.gz ANCOQWLZKHZIAK-UONOGXRCSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189088412 385925382 /nfs/dbraw/zinc/92/53/82/385925382.db2.gz ANCOQWLZKHZIAK-KGLIPLIRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189088435 385924168 /nfs/dbraw/zinc/92/41/68/385924168.db2.gz ANCOQWLZKHZIAK-ZIAGYGMSSA-N 1 0 219.372 3.655 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC12CCCC2 ZINC000189111958 259540081 /nfs/dbraw/zinc/54/00/81/259540081.db2.gz UXPVVKWRTPUYMR-GDBMZVCRSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CCC12CCCC2 ZINC000189111978 388622382 /nfs/dbraw/zinc/62/23/82/388622382.db2.gz UXPVVKWRTPUYMR-GOEBONIOSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCC12CCCC2 ZINC000189112001 259540078 /nfs/dbraw/zinc/54/00/78/259540078.db2.gz UXPVVKWRTPUYMR-ZBFHGGJFSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CCC12CCCC2 ZINC000189112022 388622501 /nfs/dbraw/zinc/62/25/01/388622501.db2.gz UXPVVKWRTPUYMR-HOCLYGCPSA-N 1 0 241.378 3.639 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(F)nc1 ZINC000189120075 641788915 /nfs/dbraw/zinc/78/89/15/641788915.db2.gz QLUJXUVUZYDSIE-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(F)nc1 ZINC000189120102 641787570 /nfs/dbraw/zinc/78/75/70/641787570.db2.gz QLUJXUVUZYDSIE-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C(C)(C)C ZINC000189122069 398098449 /nfs/dbraw/zinc/09/84/49/398098449.db2.gz FSTSVDUTVJSLEZ-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)C(C)(C)C ZINC000189122115 259540173 /nfs/dbraw/zinc/54/01/73/259540173.db2.gz FSTSVDUTVJSLEZ-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccncc1 ZINC000189134819 385128289 /nfs/dbraw/zinc/12/82/89/385128289.db2.gz LDVDZNWQQMXSMF-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccncc1 ZINC000189134840 170909832 /nfs/dbraw/zinc/90/98/32/170909832.db2.gz LDVDZNWQQMXSMF-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccncc1 ZINC000189134862 171547404 /nfs/dbraw/zinc/54/74/04/171547404.db2.gz LDVDZNWQQMXSMF-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccncc1 ZINC000189134881 347297053 /nfs/dbraw/zinc/29/70/53/347297053.db2.gz LDVDZNWQQMXSMF-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000189137053 357606298 /nfs/dbraw/zinc/60/62/98/357606298.db2.gz MOCUOLWPERUOBY-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000189137077 357606437 /nfs/dbraw/zinc/60/64/37/357606437.db2.gz MOCUOLWPERUOBY-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000189137100 347296721 /nfs/dbraw/zinc/29/67/21/347296721.db2.gz MOCUOLWPERUOBY-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000189137122 357606729 /nfs/dbraw/zinc/60/67/29/357606729.db2.gz MOCUOLWPERUOBY-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(F)nc1 ZINC000189138548 634167831 /nfs/dbraw/zinc/16/78/31/634167831.db2.gz IHPNLGMBCHTUBD-CYBMUJFWSA-N 1 0 238.350 3.669 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccc(F)nc1 ZINC000189138570 641789952 /nfs/dbraw/zinc/78/99/52/641789952.db2.gz IHPNLGMBCHTUBD-ZDUSSCGKSA-N 1 0 238.350 3.669 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000189140987 385940386 /nfs/dbraw/zinc/94/03/86/385940386.db2.gz DGQDDEQUZCVXMW-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000189141005 385939231 /nfs/dbraw/zinc/93/92/31/385939231.db2.gz DGQDDEQUZCVXMW-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000189141023 385939495 /nfs/dbraw/zinc/93/94/95/385939495.db2.gz DGQDDEQUZCVXMW-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000189141042 385126736 /nfs/dbraw/zinc/12/67/36/385126736.db2.gz DGQDDEQUZCVXMW-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccc(F)nc1 ZINC000189145366 641791872 /nfs/dbraw/zinc/79/18/72/641791872.db2.gz NVTUABWGGKYFLU-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCC23CCCC3)CCCS1 ZINC000189152755 385957172 /nfs/dbraw/zinc/95/71/72/385957172.db2.gz AVAUCIQEJKBFIT-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCC23CCCC3)CCCS1 ZINC000189152779 385956587 /nfs/dbraw/zinc/95/65/87/385956587.db2.gz AVAUCIQEJKBFIT-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCC23CCCC3)CCCS1 ZINC000189152801 385956649 /nfs/dbraw/zinc/95/66/49/385956649.db2.gz AVAUCIQEJKBFIT-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCC23CCCC3)CCCS1 ZINC000189152825 385956636 /nfs/dbraw/zinc/95/66/36/385956636.db2.gz AVAUCIQEJKBFIT-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO Fc1ccc(C[NH2+]CCC2=CCCCCC2)cn1 ZINC000189182970 634171115 /nfs/dbraw/zinc/17/11/15/634171115.db2.gz SUXAFGJYQHLSRT-UHFFFAOYSA-N 1 0 248.345 3.591 20 0 BHADRO Cc1ccc(N[C@@H]2CCC23CCCC3)cn1 ZINC000189201424 385952779 /nfs/dbraw/zinc/95/27/79/385952779.db2.gz HOKZPPBKWLBDCW-CYBMUJFWSA-N 1 0 216.328 3.525 20 0 BHADRO Cc1ccc(N[C@H]2CCC23CCCC3)cn1 ZINC000189201448 385950989 /nfs/dbraw/zinc/95/09/89/385950989.db2.gz HOKZPPBKWLBDCW-ZDUSSCGKSA-N 1 0 216.328 3.525 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189218289 357610399 /nfs/dbraw/zinc/61/03/99/357610399.db2.gz WVYYEFHLQRXJOS-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189218309 357610780 /nfs/dbraw/zinc/61/07/80/357610780.db2.gz WVYYEFHLQRXJOS-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189224264 385952296 /nfs/dbraw/zinc/95/22/96/385952296.db2.gz LHYOVBRUEPKVMG-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189224288 385953105 /nfs/dbraw/zinc/95/31/05/385953105.db2.gz LHYOVBRUEPKVMG-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CCCC(CCC)[NH2+]CCC1CC(OCC)C1 ZINC000189247744 259549585 /nfs/dbraw/zinc/54/95/85/259549585.db2.gz UHFLHUCISWDOPA-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189249281 641795834 /nfs/dbraw/zinc/79/58/34/641795834.db2.gz DYMNATMCHVDKEB-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189249307 641795162 /nfs/dbraw/zinc/79/51/62/641795162.db2.gz DYMNATMCHVDKEB-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c(C)n1 ZINC000189252813 205859389 /nfs/dbraw/zinc/85/93/89/205859389.db2.gz ANQANWWLHKQDHY-BLLLJJGKSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c(C)n1 ZINC000189252837 385974725 /nfs/dbraw/zinc/97/47/25/385974725.db2.gz ANQANWWLHKQDHY-LRDDRELGSA-N 1 0 246.398 3.709 20 0 BHADRO CC[N@H+](CCc1cccnc1)[C@@H]1CCCC[C@@H]1C ZINC000189255135 357626725 /nfs/dbraw/zinc/62/67/25/357626725.db2.gz MGAMUFUZUAMJII-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1cccnc1)[C@H]1CCCC[C@@H]1C ZINC000189255160 357626667 /nfs/dbraw/zinc/62/66/67/357626667.db2.gz MGAMUFUZUAMJII-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1cccnc1 ZINC000189260558 324193007 /nfs/dbraw/zinc/19/30/07/324193007.db2.gz SXXBWXLETVARTC-CVEARBPZSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCc1cccnc1 ZINC000189260574 324193244 /nfs/dbraw/zinc/19/32/44/324193244.db2.gz SXXBWXLETVARTC-HOTGVXAUSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCc1cccnc1 ZINC000189260595 324193509 /nfs/dbraw/zinc/19/35/09/324193509.db2.gz SXXBWXLETVARTC-HZPDHXFCSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCc1cccnc1 ZINC000189260610 324193274 /nfs/dbraw/zinc/19/32/74/324193274.db2.gz SXXBWXLETVARTC-JKSUJKDBSA-N 1 0 246.398 3.525 20 0 BHADRO CCOC1CC(CC[NH2+][C@@H](C)CCC(C)C)C1 ZINC000189264103 363174783 /nfs/dbraw/zinc/17/47/83/363174783.db2.gz MSTFSBYXSXQVHZ-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(CC[NH2+][C@H](C)CCC(C)C)C1 ZINC000189264122 363174984 /nfs/dbraw/zinc/17/49/84/363174984.db2.gz MSTFSBYXSXQVHZ-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(F)nc1 ZINC000189280057 641800245 /nfs/dbraw/zinc/80/02/45/641800245.db2.gz XBXKXEDQOACBCY-UHFFFAOYSA-N 1 0 238.350 3.623 20 0 BHADRO CCCCC[N@H+](Cc1ccc(F)nc1)C(C)C ZINC000189298207 643157474 /nfs/dbraw/zinc/15/74/74/643157474.db2.gz ZBXMYLYCRZBLST-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO CC(C)[NH+](Cc1cc(F)cc(F)c1)C(C)C ZINC000189313905 205859034 /nfs/dbraw/zinc/85/90/34/205859034.db2.gz BSYGBXZMLOIIRK-UHFFFAOYSA-N 1 0 227.298 3.584 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnoc1C)c1ccccc1 ZINC000189316910 385990789 /nfs/dbraw/zinc/99/07/89/385990789.db2.gz GSXJNBXHXJVSST-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnoc1C)c1ccccc1 ZINC000189316937 385990509 /nfs/dbraw/zinc/99/05/09/385990509.db2.gz GSXJNBXHXJVSST-OAHLLOKOSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000189367408 357634738 /nfs/dbraw/zinc/63/47/38/357634738.db2.gz DHKDWHQXSHGUPU-TZMCWYRMSA-N 1 0 233.355 3.597 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000189367428 357634509 /nfs/dbraw/zinc/63/45/09/357634509.db2.gz DHKDWHQXSHGUPU-GXTWGEPZSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CC1CC1 ZINC000189372598 357634993 /nfs/dbraw/zinc/63/49/93/357634993.db2.gz GKSSKSALLYZDSC-SWLSCSKDSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CC1CC1 ZINC000189372614 134546177 /nfs/dbraw/zinc/54/61/77/134546177.db2.gz GKSSKSALLYZDSC-IUODEOHRSA-N 1 0 245.366 3.597 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000189376395 535082057 /nfs/dbraw/zinc/08/20/57/535082057.db2.gz VREGFRYMIAWOEC-CQSZACIVSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000189378041 134546320 /nfs/dbraw/zinc/54/63/20/134546320.db2.gz MEINGSNLJLKWQR-GXTWGEPZSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000189378060 357635056 /nfs/dbraw/zinc/63/50/56/357635056.db2.gz MEINGSNLJLKWQR-TZMCWYRMSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000189378256 357635181 /nfs/dbraw/zinc/63/51/81/357635181.db2.gz MZIUXGCRHKTOSO-SWLSCSKDSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000189378279 357634660 /nfs/dbraw/zinc/63/46/60/357634660.db2.gz MZIUXGCRHKTOSO-IUODEOHRSA-N 1 0 245.366 3.597 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000189460470 134546688 /nfs/dbraw/zinc/54/66/88/134546688.db2.gz DHKDWHQXSHGUPU-OCCSQVGLSA-N 1 0 233.355 3.597 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000189460488 357637148 /nfs/dbraw/zinc/63/71/48/357637148.db2.gz DHKDWHQXSHGUPU-JSGCOSHPSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)CC1CC1 ZINC000189464352 357637400 /nfs/dbraw/zinc/63/74/00/357637400.db2.gz GKSSKSALLYZDSC-WFASDCNBSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)CC1CC1 ZINC000189464368 357637247 /nfs/dbraw/zinc/63/72/47/357637247.db2.gz GKSSKSALLYZDSC-DOMZBBRYSA-N 1 0 245.366 3.597 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000189466506 357636869 /nfs/dbraw/zinc/63/68/69/357636869.db2.gz VREGFRYMIAWOEC-AWEZNQCLSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000189467537 357637621 /nfs/dbraw/zinc/63/76/21/357637621.db2.gz MEINGSNLJLKWQR-JSGCOSHPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000189467554 134546786 /nfs/dbraw/zinc/54/67/86/134546786.db2.gz MEINGSNLJLKWQR-OCCSQVGLSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000189467693 357637629 /nfs/dbraw/zinc/63/76/29/357637629.db2.gz MZIUXGCRHKTOSO-WFASDCNBSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000189467716 357636971 /nfs/dbraw/zinc/63/69/71/357636971.db2.gz MZIUXGCRHKTOSO-DOMZBBRYSA-N 1 0 245.366 3.597 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cccs1 ZINC000189468348 387283597 /nfs/dbraw/zinc/28/35/97/387283597.db2.gz KBJJKHDBZWPOOY-UHFFFAOYSA-N 1 0 211.374 3.520 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cccnc1Cl ZINC000189469304 641807517 /nfs/dbraw/zinc/80/75/17/641807517.db2.gz ULIPBYYMVXRPGB-UHFFFAOYSA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccsc1 ZINC000189469907 386013749 /nfs/dbraw/zinc/01/37/49/386013749.db2.gz ZGOKZDGKLNGRHA-UHFFFAOYSA-N 1 0 211.374 3.520 20 0 BHADRO Cc1nc(C)c(C[NH2+]CC(C)(C)C(C)C)s1 ZINC000189470750 386013917 /nfs/dbraw/zinc/01/39/17/386013917.db2.gz LSEYMOADISHQHT-UHFFFAOYSA-N 1 0 240.416 3.532 20 0 BHADRO CSCc1cccc(C[NH2+]C2CCCC2)c1 ZINC000189492525 386013606 /nfs/dbraw/zinc/01/36/06/386013606.db2.gz UWEDQMBFDHWZJV-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO CCCC[N@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000189528158 386022050 /nfs/dbraw/zinc/02/20/50/386022050.db2.gz WYJAVZRAHQCFLL-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO CC(C)[N@H+](C)CCCCCOc1ccccc1 ZINC000189531211 386022399 /nfs/dbraw/zinc/02/23/99/386022399.db2.gz YKYILFSLEWEKTO-UHFFFAOYSA-N 1 0 235.371 3.576 20 0 BHADRO CC[N@H+](Cc1ccc2nc(C)ccc2c1)C(C)C ZINC000189627128 386037296 /nfs/dbraw/zinc/03/72/96/386037296.db2.gz AEYCVQZMOANNPW-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO CC(C)[N@H+](CC[C@@H]1CCCO1)C1CCCCC1 ZINC000189642527 388640501 /nfs/dbraw/zinc/64/05/01/388640501.db2.gz FZTMJGFREXHLFF-HNNXBMFYSA-N 1 0 239.403 3.599 20 0 BHADRO CC(C)[N@H+](CC[C@H]1CCCO1)C1CCCCC1 ZINC000189642547 388640758 /nfs/dbraw/zinc/64/07/58/388640758.db2.gz FZTMJGFREXHLFF-OAHLLOKOSA-N 1 0 239.403 3.599 20 0 BHADRO CC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CC1 ZINC000189656378 347307124 /nfs/dbraw/zinc/30/71/24/347307124.db2.gz PJCRTTPRWGNUNE-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO C[C@@H](C[N@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000189664111 347253373 /nfs/dbraw/zinc/25/33/73/347253373.db2.gz UNBHKBLJSDNNKH-JTQLQIEISA-N 1 0 223.747 3.538 20 0 BHADRO C[C@H](C[N@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000189664134 347252918 /nfs/dbraw/zinc/25/29/18/347252918.db2.gz UNBHKBLJSDNNKH-SNVBAGLBSA-N 1 0 223.747 3.538 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000189668336 386060751 /nfs/dbraw/zinc/06/07/51/386060751.db2.gz SGGWXTOMDJUWJM-CYBMUJFWSA-N 1 0 242.366 3.774 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000189668350 205874034 /nfs/dbraw/zinc/87/40/34/205874034.db2.gz SGGWXTOMDJUWJM-ZDUSSCGKSA-N 1 0 242.366 3.774 20 0 BHADRO CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000189678374 386058390 /nfs/dbraw/zinc/05/83/90/386058390.db2.gz RQCKJPVJJPHRSG-UHFFFAOYSA-N 1 0 231.261 3.513 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C(C)C ZINC000189678397 347307062 /nfs/dbraw/zinc/30/70/62/347307062.db2.gz ZSBWARNOLQJLPS-UHFFFAOYSA-N 1 0 231.261 3.512 20 0 BHADRO C[N@H+](CCCCCOc1ccccc1)CC1CC1 ZINC000189753828 386071134 /nfs/dbraw/zinc/07/11/34/386071134.db2.gz GLVSRISNYKSRNA-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO Cc1cncc(C[N@@H+](C)C2CCCCCC2)c1 ZINC000189756463 386069072 /nfs/dbraw/zinc/06/90/72/386069072.db2.gz JWAKEEGIPGMEGU-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1nc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cs1 ZINC000189759079 180044400 /nfs/dbraw/zinc/04/44/00/180044400.db2.gz PCDVUENTALUAMY-JSGCOSHPSA-N 1 0 248.395 3.697 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cs1 ZINC000189759094 180056955 /nfs/dbraw/zinc/05/69/55/180056955.db2.gz PCDVUENTALUAMY-GXTWGEPZSA-N 1 0 248.395 3.697 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000189761874 385184080 /nfs/dbraw/zinc/18/40/80/385184080.db2.gz ITLDVTABSMTJIM-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000189761893 385182852 /nfs/dbraw/zinc/18/28/52/385182852.db2.gz ITLDVTABSMTJIM-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000189763185 386104994 /nfs/dbraw/zinc/10/49/94/386104994.db2.gz FLECTBQCWRLSDO-CVEARBPZSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000189763201 386104471 /nfs/dbraw/zinc/10/44/71/386104471.db2.gz FLECTBQCWRLSDO-HOTGVXAUSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1nc([C@@H]2CCC[N@H+]2CCC(C)C)cs1 ZINC000189764893 357668143 /nfs/dbraw/zinc/66/81/43/357668143.db2.gz PHAGNRKRRYOJSY-ZDUSSCGKSA-N 1 0 238.400 3.635 20 0 BHADRO Cc1nc([C@H]2CCC[N@H+]2CCC(C)C)cs1 ZINC000189764909 357668134 /nfs/dbraw/zinc/66/81/34/357668134.db2.gz PHAGNRKRRYOJSY-CYBMUJFWSA-N 1 0 238.400 3.635 20 0 BHADRO Cc1cncc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000189778782 219907917 /nfs/dbraw/zinc/90/79/17/219907917.db2.gz DBLDDQWQHZMBBI-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO CCCCC[N@H+](Cc1cncc(C)c1)C(C)C ZINC000189782409 386087518 /nfs/dbraw/zinc/08/75/18/386087518.db2.gz VJAGZUUKYVKKOP-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO CC[N@H+](Cc1cncc(C)c1)C1CCCCC1 ZINC000189786556 386086927 /nfs/dbraw/zinc/08/69/27/386086927.db2.gz VBDNYNOHGJSRTI-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@@H](C)c2cccs2)c1 ZINC000189791015 386087671 /nfs/dbraw/zinc/08/76/71/386087671.db2.gz NGJZZHNFHKCXJC-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@H](C)c2cccs2)c1 ZINC000189791034 386088870 /nfs/dbraw/zinc/08/88/70/386088870.db2.gz NGJZZHNFHKCXJC-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000189803153 386091546 /nfs/dbraw/zinc/09/15/46/386091546.db2.gz KRYXJIVAEWZCLV-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000189803173 386091383 /nfs/dbraw/zinc/09/13/83/386091383.db2.gz KRYXJIVAEWZCLV-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189808329 357672218 /nfs/dbraw/zinc/67/22/18/357672218.db2.gz GBYYECZWNGSNND-ZWNOBZJWSA-N 1 0 238.400 3.635 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189808348 357672152 /nfs/dbraw/zinc/67/21/52/357672152.db2.gz GBYYECZWNGSNND-GXFFZTMASA-N 1 0 238.400 3.635 20 0 BHADRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC000189837687 357673536 /nfs/dbraw/zinc/67/35/36/357673536.db2.gz UYPWMCUFBFGYTP-ZDUSSCGKSA-N 1 0 236.384 3.531 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC000189837704 347311876 /nfs/dbraw/zinc/31/18/76/347311876.db2.gz UYPWMCUFBFGYTP-CYBMUJFWSA-N 1 0 236.384 3.531 20 0 BHADRO Cc1cncc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000189866967 386107036 /nfs/dbraw/zinc/10/70/36/386107036.db2.gz XVGXUFMHFPUWGQ-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cncc(C)c1)C1CC1 ZINC000189870560 386109725 /nfs/dbraw/zinc/10/97/25/386109725.db2.gz ZLFWUIPFLYFGBJ-ZIAGYGMSSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cncc(C)c1)C1CC1 ZINC000189870577 386110177 /nfs/dbraw/zinc/11/01/77/386110177.db2.gz ZLFWUIPFLYFGBJ-UONOGXRCSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cncc(C)c1)C1CC1 ZINC000189870598 386109414 /nfs/dbraw/zinc/10/94/14/386109414.db2.gz ZLFWUIPFLYFGBJ-KGLIPLIRSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cncc(C)c1)C1CC1 ZINC000189870615 386109948 /nfs/dbraw/zinc/10/99/48/386109948.db2.gz ZLFWUIPFLYFGBJ-KBPBESRZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cncc(C)c1 ZINC000189897604 386115204 /nfs/dbraw/zinc/11/52/04/386115204.db2.gz RWUIEJZSWCKZNU-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cncc(C)c1 ZINC000189897624 386115875 /nfs/dbraw/zinc/11/58/75/386115875.db2.gz RWUIEJZSWCKZNU-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000189900756 386114392 /nfs/dbraw/zinc/11/43/92/386114392.db2.gz UZOHGCGGPHLQOF-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1cncc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000189901408 386115866 /nfs/dbraw/zinc/11/58/66/386115866.db2.gz MFSCSJNAEHTPGJ-BMFZPTHFSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1nc([C@@H]2CCC[N@@H+]2CC(C)(C)C)cs1 ZINC000189919973 357676664 /nfs/dbraw/zinc/67/66/64/357676664.db2.gz LPGGNWXJWMJCCE-LBPRGKRZSA-N 1 0 238.400 3.635 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2CC(C)(C)C)cs1 ZINC000189919991 357676712 /nfs/dbraw/zinc/67/67/12/357676712.db2.gz LPGGNWXJWMJCCE-GFCCVEGCSA-N 1 0 238.400 3.635 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCC1 ZINC000189930048 388644975 /nfs/dbraw/zinc/64/49/75/388644975.db2.gz IWUZEWZKNQVQFQ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCC1 ZINC000189930067 388644887 /nfs/dbraw/zinc/64/48/87/388644887.db2.gz IWUZEWZKNQVQFQ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@H]1CCCO1)C1CCC1 ZINC000189930084 388644989 /nfs/dbraw/zinc/64/49/89/388644989.db2.gz IWUZEWZKNQVQFQ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@H]1CCCO1)C1CCC1 ZINC000189930101 388644971 /nfs/dbraw/zinc/64/49/71/388644971.db2.gz IWUZEWZKNQVQFQ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cncc(C[N@@H+](C(C)C)C2CCCCC2)c1 ZINC000189947883 386124992 /nfs/dbraw/zinc/12/49/92/386124992.db2.gz TVXOOJIEZXLDHJ-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO Cc1cncc(C[N@@H+](C(C)C)C2CCCC2)c1 ZINC000189949154 385199593 /nfs/dbraw/zinc/19/95/93/385199593.db2.gz WBCYHVOOEDKNIW-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189968873 205884642 /nfs/dbraw/zinc/88/46/42/205884642.db2.gz JZOKKQUKGYZJEV-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189968888 386128081 /nfs/dbraw/zinc/12/80/81/386128081.db2.gz JZOKKQUKGYZJEV-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cccs1 ZINC000189991863 386140794 /nfs/dbraw/zinc/14/07/94/386140794.db2.gz WBCVYMGCRDJPGQ-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cccs1 ZINC000189991882 517534030 /nfs/dbraw/zinc/53/40/30/517534030.db2.gz WBCVYMGCRDJPGQ-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000189992079 385203628 /nfs/dbraw/zinc/20/36/28/385203628.db2.gz AUHUNCCKMOQBOT-NSHDSACASA-N 1 0 209.333 3.675 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000189992097 386140547 /nfs/dbraw/zinc/14/05/47/386140547.db2.gz AUHUNCCKMOQBOT-LLVKDONJSA-N 1 0 209.333 3.675 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cccc2cnccc21 ZINC000189992304 538986472 /nfs/dbraw/zinc/98/64/72/538986472.db2.gz UMVNYFWFYKUAFD-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccsc1 ZINC000189993466 386141329 /nfs/dbraw/zinc/14/13/29/386141329.db2.gz KRYGUDXFBBZHGK-JTQLQIEISA-N 1 0 211.374 3.835 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccsc1 ZINC000189993482 386140501 /nfs/dbraw/zinc/14/05/01/386140501.db2.gz KRYGUDXFBBZHGK-SNVBAGLBSA-N 1 0 211.374 3.835 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000189993986 357679779 /nfs/dbraw/zinc/67/97/79/357679779.db2.gz BARFNACULOBPCS-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000189994005 535353857 /nfs/dbraw/zinc/35/38/57/535353857.db2.gz BARFNACULOBPCS-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000189994238 386141482 /nfs/dbraw/zinc/14/14/82/386141482.db2.gz VNGLROODDKKUKT-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000189994256 386141081 /nfs/dbraw/zinc/14/10/81/386141081.db2.gz VNGLROODDKKUKT-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000189994340 538986801 /nfs/dbraw/zinc/98/68/01/538986801.db2.gz YJSHXKKBTRVIOV-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)CCc1ccco1 ZINC000189994354 538986826 /nfs/dbraw/zinc/98/68/26/538986826.db2.gz YJSHXKKBTRVIOV-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000189994473 386139726 /nfs/dbraw/zinc/13/97/26/386139726.db2.gz APEZDFHYZWUSIY-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cncc(C)c1)C1CCC1 ZINC000190017404 386142169 /nfs/dbraw/zinc/14/21/69/386142169.db2.gz MEKPXYPHFJREKD-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cncc(C)c1)C1CCC1 ZINC000190017428 205887618 /nfs/dbraw/zinc/88/76/18/205887618.db2.gz MEKPXYPHFJREKD-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000190027361 386143464 /nfs/dbraw/zinc/14/34/64/386143464.db2.gz QQCDMQVNYLYVQW-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000190027381 386144194 /nfs/dbraw/zinc/14/41/94/386144194.db2.gz QQCDMQVNYLYVQW-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CC1(C)C[N@@H+](C2CCCC2)CC[C@@H]1C(F)(F)F ZINC000190161751 538987679 /nfs/dbraw/zinc/98/76/79/538987679.db2.gz LWQGCXOBEFWEJS-NSHDSACASA-N 1 0 249.320 3.839 20 0 BHADRO CC1(C)C[N@@H+](C2CCCC2)CC[C@H]1C(F)(F)F ZINC000190161774 538987481 /nfs/dbraw/zinc/98/74/81/538987481.db2.gz LWQGCXOBEFWEJS-LLVKDONJSA-N 1 0 249.320 3.839 20 0 BHADRO CCC(=O)CC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000190179625 641846705 /nfs/dbraw/zinc/84/67/05/641846705.db2.gz VXAQXXMUILXSFF-AWEZNQCLSA-N 1 0 247.382 3.656 20 0 BHADRO CC1(C)C[N@H+](CC2CCC2)CC[C@@H]1C(F)(F)F ZINC000190188486 388648160 /nfs/dbraw/zinc/64/81/60/388648160.db2.gz WZWVJGDPHIQPNJ-NSHDSACASA-N 1 0 249.320 3.697 20 0 BHADRO CC1(C)C[N@H+](CC2CCC2)CC[C@H]1C(F)(F)F ZINC000190188504 259563306 /nfs/dbraw/zinc/56/33/06/259563306.db2.gz WZWVJGDPHIQPNJ-LLVKDONJSA-N 1 0 249.320 3.697 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000190193690 168202608 /nfs/dbraw/zinc/20/26/08/168202608.db2.gz NTDFMNFTZKCPNS-MRXNPFEDSA-N 1 0 245.366 3.501 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000190193710 168203501 /nfs/dbraw/zinc/20/35/01/168203501.db2.gz NTDFMNFTZKCPNS-INIZCTEOSA-N 1 0 245.366 3.501 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000190196263 168203113 /nfs/dbraw/zinc/20/31/13/168203113.db2.gz JQUPLVBIECVETF-MRXNPFEDSA-N 1 0 245.366 3.501 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000190196283 168203346 /nfs/dbraw/zinc/20/33/46/168203346.db2.gz JQUPLVBIECVETF-INIZCTEOSA-N 1 0 245.366 3.501 20 0 BHADRO CCC(=O)CC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000190231215 641852933 /nfs/dbraw/zinc/85/29/33/641852933.db2.gz NUWPHISTRKEHBA-INIZCTEOSA-N 1 0 247.382 3.685 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000190240962 168202042 /nfs/dbraw/zinc/20/20/42/168202042.db2.gz PEIMWWOETVJWBK-CQSZACIVSA-N 1 0 249.354 3.566 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000190240986 168203872 /nfs/dbraw/zinc/20/38/72/168203872.db2.gz PEIMWWOETVJWBK-AWEZNQCLSA-N 1 0 249.354 3.566 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCCC3)CC2)no1 ZINC000190322813 357700183 /nfs/dbraw/zinc/70/01/83/357700183.db2.gz NPOVIQHRNOHMQL-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000190390030 357705209 /nfs/dbraw/zinc/70/52/09/357705209.db2.gz CXZRXRJNOUXPTP-LZWOXQAQSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000190390043 357705194 /nfs/dbraw/zinc/70/51/94/357705194.db2.gz CXZRXRJNOUXPTP-DZKIICNBSA-N 1 0 247.382 3.555 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)CC(C)C ZINC000190470145 386181709 /nfs/dbraw/zinc/18/17/09/386181709.db2.gz OARNSRPVELUVAX-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO CC[N@H+](Cc1c[nH]c2ccccc12)C1CCCC1 ZINC000190497460 356445944 /nfs/dbraw/zinc/44/59/44/356445944.db2.gz RBBISXZEAGSKQV-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO c1cc(OCC2CC2)ccc1C[NH2+]C1CCCC1 ZINC000190671572 259566983 /nfs/dbraw/zinc/56/69/83/259566983.db2.gz GPZQXQXBRMCJHG-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000190685873 386546520 /nfs/dbraw/zinc/54/65/20/386546520.db2.gz AEMLITQYVWGIEZ-LHRNQBEKSA-N 1 0 247.407 3.527 20 0 BHADRO C[C@H]1CC[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000190685893 386547153 /nfs/dbraw/zinc/54/71/53/386547153.db2.gz AEMLITQYVWGIEZ-GPAKFWEMSA-N 1 0 247.407 3.527 20 0 BHADRO CC[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190706391 386567061 /nfs/dbraw/zinc/56/70/61/386567061.db2.gz CWTXUCUOJWHPEG-UHFFFAOYSA-N 1 0 245.288 3.636 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCCC1 ZINC000190813307 386669345 /nfs/dbraw/zinc/66/93/45/386669345.db2.gz XSHDXKKQCQHASC-UHFFFAOYSA-N 1 0 243.272 3.610 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1CC1 ZINC000190834549 388656794 /nfs/dbraw/zinc/65/67/94/388656794.db2.gz FGYSYSFBBZKXPF-UHFFFAOYSA-N 1 0 243.272 3.513 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC000190945681 386057990 /nfs/dbraw/zinc/05/79/90/386057990.db2.gz CULSHOUYDSVAAM-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC000190945701 386057002 /nfs/dbraw/zinc/05/70/02/386057002.db2.gz CULSHOUYDSVAAM-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC000190945715 219928493 /nfs/dbraw/zinc/92/84/93/219928493.db2.gz CULSHOUYDSVAAM-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC000190945731 386060012 /nfs/dbraw/zinc/06/00/12/386060012.db2.gz CULSHOUYDSVAAM-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CC(CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC000191023369 170323683 /nfs/dbraw/zinc/32/36/83/170323683.db2.gz WPFLKRCZKMLVSR-HLIUYOAVSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC1CC(CC[NH2+][C@H](C)c2ccccc2)C1 ZINC000191023387 170323282 /nfs/dbraw/zinc/32/32/82/170323282.db2.gz WPFLKRCZKMLVSR-VQCLRJIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000191053152 259571227 /nfs/dbraw/zinc/57/12/27/259571227.db2.gz YHBVREHRGXJZFK-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000191053186 398100800 /nfs/dbraw/zinc/10/08/00/398100800.db2.gz YHBVREHRGXJZFK-OFQRWUPVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c1C ZINC000191054731 398100609 /nfs/dbraw/zinc/10/06/09/398100609.db2.gz JWZDBJKHXBJJRD-QEJZJMRPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c1C ZINC000191054760 259344557 /nfs/dbraw/zinc/34/45/57/259344557.db2.gz JWZDBJKHXBJJRD-AEGPPILISA-N 1 0 247.382 3.522 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000191085401 538990945 /nfs/dbraw/zinc/99/09/45/538990945.db2.gz PQIGBLXIYCACOK-ILXRZTDVSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000191085415 386474444 /nfs/dbraw/zinc/47/44/44/386474444.db2.gz PQIGBLXIYCACOK-KKUMJFAQSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000191085431 538991011 /nfs/dbraw/zinc/99/10/11/538991011.db2.gz PQIGBLXIYCACOK-QLFBSQMISA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000191085446 386474384 /nfs/dbraw/zinc/47/43/84/386474384.db2.gz PQIGBLXIYCACOK-SOUVJXGZSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000191086696 386475256 /nfs/dbraw/zinc/47/52/56/386475256.db2.gz FVAQOFAEPKGLKN-YCPHGPKFSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000191086711 386475230 /nfs/dbraw/zinc/47/52/30/386475230.db2.gz FVAQOFAEPKGLKN-DZKIICNBSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000191086726 386475074 /nfs/dbraw/zinc/47/50/74/386475074.db2.gz FVAQOFAEPKGLKN-IJEWVQPXSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000191086736 205929694 /nfs/dbraw/zinc/92/96/94/205929694.db2.gz FVAQOFAEPKGLKN-OFQRWUPVSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191105137 385283710 /nfs/dbraw/zinc/28/37/10/385283710.db2.gz QVHOGTBJUQEBCB-QMMMGPOBSA-N 1 0 217.765 3.708 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191105151 386643041 /nfs/dbraw/zinc/64/30/41/386643041.db2.gz QVHOGTBJUQEBCB-MRVPVSSYSA-N 1 0 217.765 3.708 20 0 BHADRO CCCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191105477 259448983 /nfs/dbraw/zinc/44/89/83/259448983.db2.gz UFUFVLANMTVOLA-QMMMGPOBSA-N 1 0 217.765 3.852 20 0 BHADRO CCCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191105497 386668590 /nfs/dbraw/zinc/66/85/90/386668590.db2.gz UFUFVLANMTVOLA-MRVPVSSYSA-N 1 0 217.765 3.852 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1csc(Cl)c1 ZINC000191106094 386752956 /nfs/dbraw/zinc/75/29/56/386752956.db2.gz GFJGAWKNGKBEFC-QMMMGPOBSA-N 1 0 229.776 3.995 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1csc(Cl)c1 ZINC000191106106 386753319 /nfs/dbraw/zinc/75/33/19/386753319.db2.gz GFJGAWKNGKBEFC-MRVPVSSYSA-N 1 0 229.776 3.995 20 0 BHADRO Cc1c([C@@H](C)[NH2+]C2CCCC2)cnn1C(C)(C)C ZINC000191106184 259571496 /nfs/dbraw/zinc/57/14/96/259571496.db2.gz IWWSCVOGEUDADN-LLVKDONJSA-N 1 0 249.402 3.540 20 0 BHADRO Cc1c([C@H](C)[NH2+]C2CCCC2)cnn1C(C)(C)C ZINC000191106197 388660628 /nfs/dbraw/zinc/66/06/28/388660628.db2.gz IWWSCVOGEUDADN-NSHDSACASA-N 1 0 249.402 3.540 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191106213 259571448 /nfs/dbraw/zinc/57/14/48/259571448.db2.gz WNKINBZJWZMBPR-NSHDSACASA-N 1 0 237.391 3.612 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191106226 388660390 /nfs/dbraw/zinc/66/03/90/388660390.db2.gz WNKINBZJWZMBPR-LLVKDONJSA-N 1 0 237.391 3.612 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191108934 386754537 /nfs/dbraw/zinc/75/45/37/386754537.db2.gz RODWNQIAODAJKV-SFYZADRCSA-N 1 0 217.765 3.851 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191108949 205930614 /nfs/dbraw/zinc/93/06/14/205930614.db2.gz RODWNQIAODAJKV-YUMQZZPRSA-N 1 0 217.765 3.851 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191108968 386754717 /nfs/dbraw/zinc/75/47/17/386754717.db2.gz RODWNQIAODAJKV-HTQZYQBOSA-N 1 0 217.765 3.851 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191108982 385283323 /nfs/dbraw/zinc/28/33/23/385283323.db2.gz RODWNQIAODAJKV-JGVFFNPUSA-N 1 0 217.765 3.851 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191109229 323084440 /nfs/dbraw/zinc/08/44/40/323084440.db2.gz QYBGEBIKGIPUTG-LBPRGKRZSA-N 1 0 237.391 3.613 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191109248 259571471 /nfs/dbraw/zinc/57/14/71/259571471.db2.gz QYBGEBIKGIPUTG-GFCCVEGCSA-N 1 0 237.391 3.613 20 0 BHADRO CCCC(CCC)SC[C@@H]1CC[N@H+](C)C1 ZINC000191112227 388660526 /nfs/dbraw/zinc/66/05/26/388660526.db2.gz JZDVFJHIYIOJHC-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC(CCC)SC[C@H]1CC[N@H+](C)C1 ZINC000191112239 388660606 /nfs/dbraw/zinc/66/06/06/388660606.db2.gz JZDVFJHIYIOJHC-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)n1cc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cn1 ZINC000191112496 386754338 /nfs/dbraw/zinc/75/43/38/386754338.db2.gz XNQYPDQQHFTYRU-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@H]2CCC[C@H](C)CC2)cn1 ZINC000191112511 205930667 /nfs/dbraw/zinc/93/06/67/205930667.db2.gz XNQYPDQQHFTYRU-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cn1 ZINC000191112522 386754312 /nfs/dbraw/zinc/75/43/12/386754312.db2.gz XNQYPDQQHFTYRU-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cn1 ZINC000191112537 386754819 /nfs/dbraw/zinc/75/48/19/386754819.db2.gz XNQYPDQQHFTYRU-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1c([C@@H](C)[NH2+]C2CCCCC2)cnn1C(C)C ZINC000191112670 388660327 /nfs/dbraw/zinc/66/03/27/388660327.db2.gz OAAXAUWGXJZUKZ-GFCCVEGCSA-N 1 0 249.402 3.756 20 0 BHADRO Cc1c([C@H](C)[NH2+]C2CCCCC2)cnn1C(C)C ZINC000191112688 388660032 /nfs/dbraw/zinc/66/00/32/388660032.db2.gz OAAXAUWGXJZUKZ-LBPRGKRZSA-N 1 0 249.402 3.756 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)Cc1ccncc1 ZINC000191114237 386752942 /nfs/dbraw/zinc/75/29/42/386752942.db2.gz WXRDMJJILQOYHP-ZBFHGGJFSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)Cc1ccncc1 ZINC000191114253 386752447 /nfs/dbraw/zinc/75/24/47/386752447.db2.gz WXRDMJJILQOYHP-HOCLYGCPSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)Cc1ccncc1 ZINC000191114270 386753585 /nfs/dbraw/zinc/75/35/85/386753585.db2.gz WXRDMJJILQOYHP-GDBMZVCRSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)Cc1ccncc1 ZINC000191114282 386753479 /nfs/dbraw/zinc/75/34/79/386753479.db2.gz WXRDMJJILQOYHP-GOEBONIOSA-N 1 0 244.382 3.506 20 0 BHADRO C[C@@H](CC[NH2+]Cc1cc[nH]c1)CC(C)(C)C ZINC000191115953 386756654 /nfs/dbraw/zinc/75/66/54/386756654.db2.gz FABLRWTUWISKNL-LBPRGKRZSA-N 1 0 222.376 3.567 20 0 BHADRO C[C@H](CC[NH2+]Cc1cc[nH]c1)CC(C)(C)C ZINC000191115968 386756380 /nfs/dbraw/zinc/75/63/80/386756380.db2.gz FABLRWTUWISKNL-GFCCVEGCSA-N 1 0 222.376 3.567 20 0 BHADRO C[C@@H](CC[NH2+]Cc1cccnc1)CC(C)(C)C ZINC000191116027 205931090 /nfs/dbraw/zinc/93/10/90/205931090.db2.gz SQZIZNXRHMLQLT-ZDUSSCGKSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@H](CC[NH2+]Cc1cccnc1)CC(C)(C)C ZINC000191116043 386757124 /nfs/dbraw/zinc/75/71/24/386757124.db2.gz SQZIZNXRHMLQLT-CYBMUJFWSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccccn1)CC(C)(C)C ZINC000191116445 386756791 /nfs/dbraw/zinc/75/67/91/386756791.db2.gz YUSVHXXIDDMAHE-ZDUSSCGKSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccccn1)CC(C)(C)C ZINC000191116462 386756686 /nfs/dbraw/zinc/75/66/86/386756686.db2.gz YUSVHXXIDDMAHE-CYBMUJFWSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@@H](CC[NH2+]Cc1cscn1)CC(C)(C)C ZINC000191116915 386757883 /nfs/dbraw/zinc/75/78/83/386757883.db2.gz VYLLSXXARHFFEV-NSHDSACASA-N 1 0 240.416 3.695 20 0 BHADRO C[C@H](CC[NH2+]Cc1cscn1)CC(C)(C)C ZINC000191116931 386757736 /nfs/dbraw/zinc/75/77/36/386757736.db2.gz VYLLSXXARHFFEV-LLVKDONJSA-N 1 0 240.416 3.695 20 0 BHADRO C[C@@H](CC[NH2+]Cc1cncs1)CC(C)(C)C ZINC000191117706 219910701 /nfs/dbraw/zinc/91/07/01/219910701.db2.gz CYFRVHFKYPJTOF-NSHDSACASA-N 1 0 240.416 3.695 20 0 BHADRO C[C@H](CC[NH2+]Cc1cncs1)CC(C)(C)C ZINC000191117724 386754492 /nfs/dbraw/zinc/75/44/92/386754492.db2.gz CYFRVHFKYPJTOF-LLVKDONJSA-N 1 0 240.416 3.695 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccncc1)CC(C)(C)C ZINC000191117979 386754556 /nfs/dbraw/zinc/75/45/56/386754556.db2.gz PCSNOPYQVIBAGQ-ZDUSSCGKSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccncc1)CC(C)(C)C ZINC000191117995 386754528 /nfs/dbraw/zinc/75/45/28/386754528.db2.gz PCSNOPYQVIBAGQ-CYBMUJFWSA-N 1 0 234.387 3.634 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1csc(Cl)c1 ZINC000191128611 386760742 /nfs/dbraw/zinc/76/07/42/386760742.db2.gz XRLFZFONYINFTR-YUMQZZPRSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1csc(Cl)c1 ZINC000191128628 386760677 /nfs/dbraw/zinc/76/06/77/386760677.db2.gz XRLFZFONYINFTR-JGVFFNPUSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)C1CC1 ZINC000191128643 386760759 /nfs/dbraw/zinc/76/07/59/386760759.db2.gz XRLFZFONYINFTR-SFYZADRCSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1csc(Cl)c1 ZINC000191128656 205931807 /nfs/dbraw/zinc/93/18/07/205931807.db2.gz XRLFZFONYINFTR-HTQZYQBOSA-N 1 0 229.776 3.851 20 0 BHADRO Fc1cccc2c1OCC[C@@H]2[NH2+]C1CCCCC1 ZINC000191129288 386760821 /nfs/dbraw/zinc/76/08/21/386760821.db2.gz UCGXZJVZSGVDGN-AWEZNQCLSA-N 1 0 249.329 3.572 20 0 BHADRO CCC[C@H]([NH2+]CCCOCC)c1ccsc1 ZINC000191179442 535702743 /nfs/dbraw/zinc/70/27/43/535702743.db2.gz HEWUIJBMWQLKNG-ZDUSSCGKSA-N 1 0 241.400 3.606 20 0 BHADRO CCC[C@@H]([NH2+]CCCOCC)c1ccsc1 ZINC000191179460 135506718 /nfs/dbraw/zinc/50/67/18/135506718.db2.gz HEWUIJBMWQLKNG-CYBMUJFWSA-N 1 0 241.400 3.606 20 0 BHADRO CCC[C@H]([NH2+]CC(C)C)c1ccsc1 ZINC000191180354 205901289 /nfs/dbraw/zinc/90/12/89/205901289.db2.gz SRNAVGCTESVRFR-LBPRGKRZSA-N 1 0 211.374 3.835 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)C)c1ccsc1 ZINC000191180374 386771445 /nfs/dbraw/zinc/77/14/45/386771445.db2.gz SRNAVGCTESVRFR-GFCCVEGCSA-N 1 0 211.374 3.835 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccnc1)c1ccsc1 ZINC000191180567 385289253 /nfs/dbraw/zinc/28/92/53/385289253.db2.gz OOXXUJMIDMTLHI-AWEZNQCLSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccnc1)c1ccsc1 ZINC000191180586 385288922 /nfs/dbraw/zinc/28/89/22/385288922.db2.gz OOXXUJMIDMTLHI-CQSZACIVSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccco1)c1ccsc1 ZINC000191181626 355341033 /nfs/dbraw/zinc/34/10/33/355341033.db2.gz OJSJJTJMXQCDCY-ZDUSSCGKSA-N 1 0 235.352 3.972 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccco1)c1ccsc1 ZINC000191181643 355341473 /nfs/dbraw/zinc/34/14/73/355341473.db2.gz OJSJJTJMXQCDCY-CYBMUJFWSA-N 1 0 235.352 3.972 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CC)c1ccsc1 ZINC000191181897 386772141 /nfs/dbraw/zinc/77/21/41/386772141.db2.gz SPLRZJSZEJKLPU-JQWIXIFHSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CC)c1ccsc1 ZINC000191181915 386772961 /nfs/dbraw/zinc/77/29/61/386772961.db2.gz SPLRZJSZEJKLPU-CMPLNLGQSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CC)c1ccsc1 ZINC000191181929 386772569 /nfs/dbraw/zinc/77/25/69/386772569.db2.gz SPLRZJSZEJKLPU-PWSUYJOCSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CC)c1ccsc1 ZINC000191181943 386772148 /nfs/dbraw/zinc/77/21/48/386772148.db2.gz SPLRZJSZEJKLPU-ZYHUDNBSSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CC1)c1ccsc1 ZINC000191187323 386772344 /nfs/dbraw/zinc/77/23/44/386772344.db2.gz HOVITFYIRNHVSL-GWCFXTLKSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccsc1 ZINC000191187339 386773124 /nfs/dbraw/zinc/77/31/24/386773124.db2.gz HOVITFYIRNHVSL-GXFFZTMASA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CC1)c1ccsc1 ZINC000191187353 386772264 /nfs/dbraw/zinc/77/22/64/386772264.db2.gz HOVITFYIRNHVSL-MFKMUULPSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CC1)c1ccsc1 ZINC000191187366 529021897 /nfs/dbraw/zinc/02/18/97/529021897.db2.gz HOVITFYIRNHVSL-ZWNOBZJWSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H](SC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000191190344 398102066 /nfs/dbraw/zinc/10/20/66/398102066.db2.gz VHWMYMVQFIYHIR-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](SC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000191190362 398101622 /nfs/dbraw/zinc/10/16/22/398101622.db2.gz VHWMYMVQFIYHIR-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@H](SC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000191190379 398101854 /nfs/dbraw/zinc/10/18/54/398101854.db2.gz VHWMYMVQFIYHIR-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](SC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000191190396 398102184 /nfs/dbraw/zinc/10/21/84/398102184.db2.gz VHWMYMVQFIYHIR-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CCC[C@H]([NH2+]CC1CC1)c1ccsc1 ZINC000191196835 387305173 /nfs/dbraw/zinc/30/51/73/387305173.db2.gz LKMAOOJIHOTPED-LBPRGKRZSA-N 1 0 209.358 3.589 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC1)c1ccsc1 ZINC000191196851 169399647 /nfs/dbraw/zinc/39/96/47/169399647.db2.gz LKMAOOJIHOTPED-GFCCVEGCSA-N 1 0 209.358 3.589 20 0 BHADRO CCC[C@H]([NH2+]CCCCOC)c1ccsc1 ZINC000191205746 353448356 /nfs/dbraw/zinc/44/83/56/353448356.db2.gz WZWKMPKTMXEQSU-ZDUSSCGKSA-N 1 0 241.400 3.606 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOC)c1ccsc1 ZINC000191205763 355347648 /nfs/dbraw/zinc/34/76/48/355347648.db2.gz WZWKMPKTMXEQSU-CYBMUJFWSA-N 1 0 241.400 3.606 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccoc1)c1ccsc1 ZINC000191214052 386778242 /nfs/dbraw/zinc/77/82/42/386778242.db2.gz FMVUNYPJJURGJX-ZDUSSCGKSA-N 1 0 235.352 3.972 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccoc1)c1ccsc1 ZINC000191214067 386778294 /nfs/dbraw/zinc/77/82/94/386778294.db2.gz FMVUNYPJJURGJX-CYBMUJFWSA-N 1 0 235.352 3.972 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC2CC2)cnn1C(C)C ZINC000191285259 259573063 /nfs/dbraw/zinc/57/30/63/259573063.db2.gz KGHMLODXBZSCBM-NWDGAFQWSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H](C)CC2CC2)cnn1C(C)C ZINC000191285274 388661777 /nfs/dbraw/zinc/66/17/77/388661777.db2.gz KGHMLODXBZSCBM-RYUDHWBXSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@H](C)CC2CC2)cnn1C(C)C ZINC000191285293 388662072 /nfs/dbraw/zinc/66/20/72/388662072.db2.gz KGHMLODXBZSCBM-VXGBXAGGSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H](C)CC2CC2)cnn1C(C)C ZINC000191285304 388661920 /nfs/dbraw/zinc/66/19/20/388661920.db2.gz KGHMLODXBZSCBM-NEPJUHHUSA-N 1 0 249.402 3.612 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191296890 355384299 /nfs/dbraw/zinc/38/42/99/355384299.db2.gz LIJMHTBWLTZVPV-QMMMGPOBSA-N 1 0 249.832 3.805 20 0 BHADRO CSCCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191296907 135512551 /nfs/dbraw/zinc/51/25/51/135512551.db2.gz LIJMHTBWLTZVPV-MRVPVSSYSA-N 1 0 249.832 3.805 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191297748 386847248 /nfs/dbraw/zinc/84/72/48/386847248.db2.gz ZJFZLISUQLDEDW-YUMQZZPRSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191297764 386847707 /nfs/dbraw/zinc/84/77/07/386847707.db2.gz ZJFZLISUQLDEDW-SFYZADRCSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191297779 386846868 /nfs/dbraw/zinc/84/68/68/386846868.db2.gz ZJFZLISUQLDEDW-JGVFFNPUSA-N 1 0 249.832 3.804 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191297794 386846885 /nfs/dbraw/zinc/84/68/85/386846885.db2.gz ZJFZLISUQLDEDW-HTQZYQBOSA-N 1 0 249.832 3.804 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@H]2CC=CCC2)cnn1C(C)C ZINC000191369105 177627474 /nfs/dbraw/zinc/62/74/74/177627474.db2.gz DXOGGRFOWQTQDY-OCCSQVGLSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CC=CCC2)cnn1C(C)C ZINC000191369120 177632950 /nfs/dbraw/zinc/63/29/50/177632950.db2.gz DXOGGRFOWQTQDY-JSGCOSHPSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@H]2CC=CCC2)cnn1C(C)C ZINC000191369132 385299613 /nfs/dbraw/zinc/29/96/13/385299613.db2.gz DXOGGRFOWQTQDY-TZMCWYRMSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CC=CCC2)cnn1C(C)C ZINC000191369144 385299694 /nfs/dbraw/zinc/29/96/94/385299694.db2.gz DXOGGRFOWQTQDY-GXTWGEPZSA-N 1 0 247.386 3.532 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1csc(Cl)c1 ZINC000191373628 538992336 /nfs/dbraw/zinc/99/23/36/538992336.db2.gz NSRMUCZZAZIVAA-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1csc(Cl)c1 ZINC000191373639 538992348 /nfs/dbraw/zinc/99/23/48/538992348.db2.gz NSRMUCZZAZIVAA-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191376320 388663474 /nfs/dbraw/zinc/66/34/74/388663474.db2.gz IOCVWYKMYHZBBF-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191376334 259574022 /nfs/dbraw/zinc/57/40/22/259574022.db2.gz IOCVWYKMYHZBBF-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CC2(C)CCC2)cnn1C(C)C ZINC000191376393 388662796 /nfs/dbraw/zinc/66/27/96/388662796.db2.gz VPJZGHZGJDYGFE-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@H](C)[NH2+]CC2(C)CCC2)cnn1C(C)C ZINC000191376412 388662840 /nfs/dbraw/zinc/66/28/40/388662840.db2.gz VPJZGHZGJDYGFE-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191390039 387306863 /nfs/dbraw/zinc/30/68/63/387306863.db2.gz GWNFEHBHFMQBKI-YUMQZZPRSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191390056 386946961 /nfs/dbraw/zinc/94/69/61/386946961.db2.gz GWNFEHBHFMQBKI-SFYZADRCSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191390071 386946761 /nfs/dbraw/zinc/94/67/61/386946761.db2.gz GWNFEHBHFMQBKI-JGVFFNPUSA-N 1 0 249.832 3.804 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191390086 386946446 /nfs/dbraw/zinc/94/64/46/386946446.db2.gz GWNFEHBHFMQBKI-HTQZYQBOSA-N 1 0 249.832 3.804 20 0 BHADRO CCCC1CCC([N@H+](C)CCCCOC)CC1 ZINC000191421386 388663037 /nfs/dbraw/zinc/66/30/37/388663037.db2.gz AIDLGGGCPPSEJJ-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1ccc(N[C@@H](C)C(C)C)c(C[NH+](C)C)c1 ZINC000191453572 388662887 /nfs/dbraw/zinc/66/28/87/388662887.db2.gz MISLUOBHCPNIJP-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1ccc(N[C@H](C)C(C)C)c(C[NH+](C)C)c1 ZINC000191453590 388663277 /nfs/dbraw/zinc/66/32/77/388663277.db2.gz MISLUOBHCPNIJP-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO CC1([NH2+]Cc2ccc(OCC3CC3)cc2)CCC1 ZINC000191482519 259574493 /nfs/dbraw/zinc/57/44/93/259574493.db2.gz LUOWZAICFPFOAF-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@@H](C)C2CC2)cc1 ZINC000191585740 388666196 /nfs/dbraw/zinc/66/61/96/388666196.db2.gz MRPRLKQVYOSBNP-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@H](C)C2CC2)cc1 ZINC000191585751 388666539 /nfs/dbraw/zinc/66/65/39/388666539.db2.gz MRPRLKQVYOSBNP-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC2CC(C)C2)cc1 ZINC000191587398 259575577 /nfs/dbraw/zinc/57/55/77/259575577.db2.gz QAMLCRXMAVTVBD-UHFFFAOYSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)(C)CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191609074 388666183 /nfs/dbraw/zinc/66/61/83/388666183.db2.gz UHZWJZFKNPRRFH-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CCCCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000191615508 641934826 /nfs/dbraw/zinc/93/48/26/641934826.db2.gz PTEFMGXFEPEJGX-UHFFFAOYSA-N 1 0 246.398 3.841 20 0 BHADRO COCCC1(C[NH2+]CC=C(C)C)CCCCC1 ZINC000191626427 388666042 /nfs/dbraw/zinc/66/60/42/388666042.db2.gz HOCJWNLTPUYIAX-UHFFFAOYSA-N 1 0 239.403 3.529 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000191627378 205937747 /nfs/dbraw/zinc/93/77/47/205937747.db2.gz BXPZLPQFWIFPPM-UHFFFAOYSA-N 1 0 233.355 3.530 20 0 BHADRO CC(C)=CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000191628308 388665788 /nfs/dbraw/zinc/66/57/88/388665788.db2.gz FUCCRWFESOZDNI-UHFFFAOYSA-N 1 0 249.320 3.911 20 0 BHADRO CC(C)=CC[NH2+]C/C(C)=C/c1ccccc1 ZINC000191630559 323192037 /nfs/dbraw/zinc/19/20/37/323192037.db2.gz WOQNJUZFJILPAB-SDNWHVSQSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccccc1OC(C)C ZINC000191630745 323192098 /nfs/dbraw/zinc/19/20/98/323192098.db2.gz SUCGOMCGVWJROG-UHFFFAOYSA-N 1 0 233.355 3.530 20 0 BHADRO CC(C)=CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000191631318 398302204 /nfs/dbraw/zinc/30/22/04/398302204.db2.gz QUALFPKQUCNWJL-UHFFFAOYSA-N 1 0 233.355 3.530 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000191632111 398301987 /nfs/dbraw/zinc/30/19/87/398301987.db2.gz ROJUEZLVDGJYJH-UHFFFAOYSA-N 1 0 240.350 3.599 20 0 BHADRO Oc1cccc2c1CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000191636134 357780591 /nfs/dbraw/zinc/78/05/91/357780591.db2.gz BTAMZXBMCNYOJK-HNNXBMFYSA-N 1 0 245.366 3.692 20 0 BHADRO Oc1cccc2c1CCC[C@H]2[NH2+]C1CCCCC1 ZINC000191636151 357779779 /nfs/dbraw/zinc/77/97/79/357779779.db2.gz BTAMZXBMCNYOJK-OAHLLOKOSA-N 1 0 245.366 3.692 20 0 BHADRO CC/C=C/CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191636295 385310936 /nfs/dbraw/zinc/31/09/36/385310936.db2.gz LDDRQKJXRSPWEV-ONEGZZNKSA-N 1 0 244.382 3.617 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000191636930 634217682 /nfs/dbraw/zinc/21/76/82/634217682.db2.gz KQGXQIWKTJPYCD-TYNCELHUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000191636959 641934966 /nfs/dbraw/zinc/93/49/66/641934966.db2.gz KQGXQIWKTJPYCD-LALPHHSUSA-N 1 0 245.366 3.548 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1 ZINC000191639002 385312483 /nfs/dbraw/zinc/31/24/83/385312483.db2.gz OUKMFOHJMWUKHR-YDHLFZDLSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1 ZINC000191639016 259389439 /nfs/dbraw/zinc/38/94/39/259389439.db2.gz OUKMFOHJMWUKHR-KCQAQPDRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191639144 359734606 /nfs/dbraw/zinc/73/46/06/359734606.db2.gz UIDVKSHWVBIUPQ-CQSZACIVSA-N 1 0 233.355 3.548 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191639174 359734469 /nfs/dbraw/zinc/73/44/69/359734469.db2.gz UIDVKSHWVBIUPQ-AWEZNQCLSA-N 1 0 233.355 3.548 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000191639891 357780154 /nfs/dbraw/zinc/78/01/54/357780154.db2.gz RWMPZRSOOLMGHK-IATRGZMQSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000191639905 357779825 /nfs/dbraw/zinc/77/98/25/357779825.db2.gz RWMPZRSOOLMGHK-JFILPPLUSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000191639920 357780523 /nfs/dbraw/zinc/78/05/23/357780523.db2.gz RWMPZRSOOLMGHK-OQMKEHIESA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000191639934 357779744 /nfs/dbraw/zinc/77/97/44/357779744.db2.gz RWMPZRSOOLMGHK-BCUIYNNISA-N 1 0 247.382 3.638 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191640384 259576186 /nfs/dbraw/zinc/57/61/86/259576186.db2.gz WKXPRTUIVIFPHA-BXUZGUMPSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191640409 388667275 /nfs/dbraw/zinc/66/72/75/388667275.db2.gz WKXPRTUIVIFPHA-SMDDNHRTSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191640427 388667207 /nfs/dbraw/zinc/66/72/07/388667207.db2.gz WKXPRTUIVIFPHA-RISCZKNCSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191640449 388666476 /nfs/dbraw/zinc/66/64/76/388666476.db2.gz WKXPRTUIVIFPHA-FZMZJTMJSA-N 1 0 233.355 3.548 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000191640717 357781281 /nfs/dbraw/zinc/78/12/81/357781281.db2.gz BUZAREMRJIYPKT-COMQUAJESA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000191640729 357781551 /nfs/dbraw/zinc/78/15/51/357781551.db2.gz BUZAREMRJIYPKT-XPCVCDNBSA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000191640743 347356560 /nfs/dbraw/zinc/35/65/60/347356560.db2.gz BUZAREMRJIYPKT-QVHKTLOISA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000191640759 518119636 /nfs/dbraw/zinc/11/96/36/518119636.db2.gz BUZAREMRJIYPKT-RMRHIDDWSA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000191644416 386987421 /nfs/dbraw/zinc/98/74/21/386987421.db2.gz QUGWOUWJEDVUJU-SRVKXCTJSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000191644436 385313694 /nfs/dbraw/zinc/31/36/94/385313694.db2.gz QUGWOUWJEDVUJU-TUAOUCFPSA-N 1 0 247.338 3.507 20 0 BHADRO Oc1cccc2c1CCC[C@@H]2[NH2+]CC1CCCC1 ZINC000191663049 359740845 /nfs/dbraw/zinc/74/08/45/359740845.db2.gz CRBGNPOVYSQHTC-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1cccc2c1CCC[C@H]2[NH2+]CC1CCCC1 ZINC000191663066 359740968 /nfs/dbraw/zinc/74/09/68/359740968.db2.gz CRBGNPOVYSQHTC-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191663915 388667413 /nfs/dbraw/zinc/66/74/13/388667413.db2.gz SRSVPHIRZZNOTD-JTQLQIEISA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191663931 388666517 /nfs/dbraw/zinc/66/65/17/388666517.db2.gz SRSVPHIRZZNOTD-SNVBAGLBSA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000191700983 219935084 /nfs/dbraw/zinc/93/50/84/219935084.db2.gz HTUFLVOBCRHGQZ-ZDUSSCGKSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccccn1)C(C)C ZINC000191701001 219935545 /nfs/dbraw/zinc/93/55/45/219935545.db2.gz HTUFLVOBCRHGQZ-CYBMUJFWSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1cccnc1)C(C)C ZINC000191701436 387052857 /nfs/dbraw/zinc/05/28/57/387052857.db2.gz ZETGQCRCJRYKCT-ZDUSSCGKSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1cccnc1)C(C)C ZINC000191701451 387052976 /nfs/dbraw/zinc/05/29/76/387052976.db2.gz ZETGQCRCJRYKCT-CYBMUJFWSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccncc1)C(C)C ZINC000191701795 387052627 /nfs/dbraw/zinc/05/26/27/387052627.db2.gz YMDZRSPXCWWLIK-ZDUSSCGKSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccncc1)C(C)C ZINC000191701808 219935139 /nfs/dbraw/zinc/93/51/39/219935139.db2.gz YMDZRSPXCWWLIK-CYBMUJFWSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1nccs1)C(C)C ZINC000191702253 387052318 /nfs/dbraw/zinc/05/23/18/387052318.db2.gz RDEPUQAYNBYBIY-NSHDSACASA-N 1 0 240.416 3.722 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1nccs1)C(C)C ZINC000191702265 387052218 /nfs/dbraw/zinc/05/22/18/387052218.db2.gz RDEPUQAYNBYBIY-LLVKDONJSA-N 1 0 240.416 3.722 20 0 BHADRO C(CSC1CCCC1)C[NH+]1CCCCC1 ZINC000191805242 259579085 /nfs/dbraw/zinc/57/90/85/259579085.db2.gz UQIIROBVQSSDQH-UHFFFAOYSA-N 1 0 227.417 3.538 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2c[nH]nc2C)CC1 ZINC000191808079 357798124 /nfs/dbraw/zinc/79/81/24/357798124.db2.gz ZVXTWADPWYLSKN-UHFFFAOYSA-N 1 0 249.402 3.509 20 0 BHADRO C[C@@H]1CCSCC[N@@H+]1C/C=C/c1ccccc1 ZINC000191819434 259579285 /nfs/dbraw/zinc/57/92/85/259579285.db2.gz QIBTXOXDZDEYSX-LHRNQBEKSA-N 1 0 247.407 3.527 20 0 BHADRO C[C@H]1CCSCC[N@@H+]1C/C=C/c1ccccc1 ZINC000191819447 388670806 /nfs/dbraw/zinc/67/08/06/388670806.db2.gz QIBTXOXDZDEYSX-GPAKFWEMSA-N 1 0 247.407 3.527 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000191824827 386471158 /nfs/dbraw/zinc/47/11/58/386471158.db2.gz DBXTZSKBPYPQMX-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)C1CCSCC1 ZINC000191824839 528532832 /nfs/dbraw/zinc/53/28/32/528532832.db2.gz DBXTZSKBPYPQMX-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000191825801 386468077 /nfs/dbraw/zinc/46/80/77/386468077.db2.gz WQVAZUYAZNMMOY-LBPRGKRZSA-N 1 0 237.391 3.551 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000191825817 256649800 /nfs/dbraw/zinc/64/98/00/256649800.db2.gz WQVAZUYAZNMMOY-GFCCVEGCSA-N 1 0 237.391 3.551 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000191827598 641945590 /nfs/dbraw/zinc/94/55/90/641945590.db2.gz ULPZXRILXQHGBM-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000191827610 641946058 /nfs/dbraw/zinc/94/60/58/641946058.db2.gz ULPZXRILXQHGBM-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CC)c1cccnc1 ZINC000191828126 386466299 /nfs/dbraw/zinc/46/62/99/386466299.db2.gz AWFHBZYFBURCIM-AWEZNQCLSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CC)c1cccnc1 ZINC000191828142 386467899 /nfs/dbraw/zinc/46/78/99/386467899.db2.gz AWFHBZYFBURCIM-CQSZACIVSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000191829607 385326369 /nfs/dbraw/zinc/32/63/69/385326369.db2.gz AMTGSVJUDWWIPM-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000191829620 385325870 /nfs/dbraw/zinc/32/58/70/385325870.db2.gz AMTGSVJUDWWIPM-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000191829634 169513710 /nfs/dbraw/zinc/51/37/10/169513710.db2.gz AMTGSVJUDWWIPM-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000191829647 385326339 /nfs/dbraw/zinc/32/63/39/385326339.db2.gz AMTGSVJUDWWIPM-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000191830710 538993453 /nfs/dbraw/zinc/99/34/53/538993453.db2.gz PTHBTHBOBNDPHO-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000191830725 538993425 /nfs/dbraw/zinc/99/34/25/538993425.db2.gz PTHBTHBOBNDPHO-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CC)c1ccccn1 ZINC000191830746 386470902 /nfs/dbraw/zinc/47/09/02/386470902.db2.gz FADZTYUWZJEYFJ-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CC)c1ccccn1 ZINC000191830760 386470167 /nfs/dbraw/zinc/47/01/67/386470167.db2.gz FADZTYUWZJEYFJ-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1occc1SCCC[NH+]1CCCCC1 ZINC000191839509 388671530 /nfs/dbraw/zinc/67/15/30/388671530.db2.gz BXMNDSRHGOXWIJ-UHFFFAOYSA-N 1 0 239.384 3.556 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191860315 168388942 /nfs/dbraw/zinc/38/89/42/168388942.db2.gz JGOHTWVPFZYIAE-HOCLYGCPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191863698 169369573 /nfs/dbraw/zinc/36/95/73/169369573.db2.gz OFTMSQGPIWLEEQ-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191863710 169493539 /nfs/dbraw/zinc/49/35/39/169493539.db2.gz OFTMSQGPIWLEEQ-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)c1cccc2c1CC[N@H+](CCCF)C2 ZINC000191892121 357802081 /nfs/dbraw/zinc/80/20/81/357802081.db2.gz UDTBKOMHGUSZCQ-UHFFFAOYSA-N 1 0 235.346 3.528 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)Cc1cocn1 ZINC000191919705 386711099 /nfs/dbraw/zinc/71/10/99/386711099.db2.gz CBGSYNNFTWTECE-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1cocn1 ZINC000191919899 386713372 /nfs/dbraw/zinc/71/33/72/386713372.db2.gz VCOOXPQDXAQQGW-UHFFFAOYSA-N 1 0 238.375 3.857 20 0 BHADRO CCC1CCC([N@H+](Cc2cocn2)C2CC2)CC1 ZINC000191926341 386717946 /nfs/dbraw/zinc/71/79/46/386717946.db2.gz VKLFSBUOIRLMPI-UHFFFAOYSA-N 1 0 248.370 3.608 20 0 BHADRO CCC(CC)(CC)SC[C@@H]1CC[N@H+](C)C1 ZINC000191931938 641950568 /nfs/dbraw/zinc/95/05/68/641950568.db2.gz WKJMILFELPSJKM-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(CC)(CC)SC[C@H]1CC[N@H+](C)C1 ZINC000191931944 641951682 /nfs/dbraw/zinc/95/16/82/641951682.db2.gz WKJMILFELPSJKM-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CCCCC[N@H+](Cc1cocn1)[C@@H](C)CCC ZINC000191937185 386723739 /nfs/dbraw/zinc/72/37/39/386723739.db2.gz JGZQHCYYLFEXJK-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO CCCCC[N@H+](Cc1cocn1)[C@H](C)CCC ZINC000191937195 386724004 /nfs/dbraw/zinc/72/40/04/386724004.db2.gz JGZQHCYYLFEXJK-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO c1nc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)co1 ZINC000191937666 386724516 /nfs/dbraw/zinc/72/45/16/386724516.db2.gz BVMUQPVUZSKASS-OAHLLOKOSA-N 1 0 248.370 3.609 20 0 BHADRO c1nc(C[N@H+]2CCC[C@H]2CC2CCCCC2)co1 ZINC000191937675 386722336 /nfs/dbraw/zinc/72/23/36/386722336.db2.gz BVMUQPVUZSKASS-HNNXBMFYSA-N 1 0 248.370 3.609 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1ncccn1 ZINC000191943978 388672022 /nfs/dbraw/zinc/67/20/22/388672022.db2.gz PYSZGDHPIFDAHI-UHFFFAOYSA-N 1 0 249.402 3.659 20 0 BHADRO c1nc(C[N@@H+]2CCCC3(C2)CCCCCC3)co1 ZINC000191947081 398310272 /nfs/dbraw/zinc/31/02/72/398310272.db2.gz DJLDWDRLBPGMMG-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO Cc1c[nH+]ccc1N[C@H](C)c1ccc(F)cc1F ZINC000191977082 386728305 /nfs/dbraw/zinc/72/83/05/386728305.db2.gz VGURJRGKKORXFU-SNVBAGLBSA-N 1 0 248.276 3.841 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@@H]1c1cccs1 ZINC000191977185 357818827 /nfs/dbraw/zinc/81/88/27/357818827.db2.gz ZMNHTDQVLWSQDU-CYBMUJFWSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@H]1c1cccs1 ZINC000191977191 134581112 /nfs/dbraw/zinc/58/11/12/134581112.db2.gz ZMNHTDQVLWSQDU-ZDUSSCGKSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1c[nH+]ccc1NCCCOC1CCCCC1 ZINC000191977503 364829917 /nfs/dbraw/zinc/82/99/17/364829917.db2.gz GVFGNECXGSQDGR-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO CCc1ccc(CNc2cc[nH+]cc2C)s1 ZINC000191978954 386727263 /nfs/dbraw/zinc/72/72/63/386727263.db2.gz YTNBGKMTWHVEBR-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO Cc1c[nH+]ccc1NCc1cc2ccccc2o1 ZINC000191979043 364909275 /nfs/dbraw/zinc/90/92/75/364909275.db2.gz IURHUPHWWBRWLK-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CCCCC[N@H+](Cc1ncccn1)[C@@H](C)CCC ZINC000191981247 357818869 /nfs/dbraw/zinc/81/88/69/357818869.db2.gz KSCUIUSBIDPVOS-AWEZNQCLSA-N 1 0 249.402 3.657 20 0 BHADRO CCCCC[N@H+](Cc1ncccn1)[C@H](C)CCC ZINC000191981254 357818782 /nfs/dbraw/zinc/81/87/82/357818782.db2.gz KSCUIUSBIDPVOS-CQSZACIVSA-N 1 0 249.402 3.657 20 0 BHADRO Cc1c[nH+]ccc1N1CCC2(C1)CCCCC2 ZINC000191981360 347365519 /nfs/dbraw/zinc/36/55/19/347365519.db2.gz OKQQAIWTYSXCIK-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO c1nc(C[N@@H+]2CCCC3(CCCCC3)CC2)co1 ZINC000191994890 386729663 /nfs/dbraw/zinc/72/96/63/386729663.db2.gz GZMOGRHAXOWFAA-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000192035620 356009294 /nfs/dbraw/zinc/00/92/94/356009294.db2.gz YVXPQFYZZCUIJA-BZPMIXESSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000192035625 386737762 /nfs/dbraw/zinc/73/77/62/386737762.db2.gz YVXPQFYZZCUIJA-SCRDCRAPSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000192035629 356009292 /nfs/dbraw/zinc/00/92/92/356009292.db2.gz YVXPQFYZZCUIJA-YRGRVCCFSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000192035635 386737068 /nfs/dbraw/zinc/73/70/68/386737068.db2.gz YVXPQFYZZCUIJA-OUCADQQQSA-N 1 0 233.355 3.622 20 0 BHADRO CCCCC[C@H]([NH2+]Cc1ncccn1)C(C)(C)C ZINC000192164744 644133154 /nfs/dbraw/zinc/13/31/54/644133154.db2.gz XURQEOUJDUIBRT-ZDUSSCGKSA-N 1 0 249.402 3.561 20 0 BHADRO CCCCC[C@@H]([NH2+]Cc1ncccn1)C(C)(C)C ZINC000192164749 644133055 /nfs/dbraw/zinc/13/30/55/644133055.db2.gz XURQEOUJDUIBRT-CYBMUJFWSA-N 1 0 249.402 3.561 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000192185925 259391018 /nfs/dbraw/zinc/39/10/18/259391018.db2.gz IZHVPENILFDEGT-OLZOCXBDSA-N 1 0 235.396 3.575 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192185929 388676180 /nfs/dbraw/zinc/67/61/80/388676180.db2.gz IZHVPENILFDEGT-STQMWFEESA-N 1 0 235.396 3.575 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@H](C)CC1)c1ccccc1 ZINC000192190051 388677029 /nfs/dbraw/zinc/67/70/29/388677029.db2.gz WHEOKPDVQDACCB-ZIAGYGMSSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@@H](C)CC1)c1ccccc1 ZINC000192190055 259583733 /nfs/dbraw/zinc/58/37/33/259583733.db2.gz WHEOKPDVQDACCB-KGLIPLIRSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCCOc1cc(C)nc2ccccc21 ZINC000192191606 357825994 /nfs/dbraw/zinc/82/59/94/357825994.db2.gz YZVIGUVMYGJHDU-UHFFFAOYSA-N 1 0 247.363 3.675 20 0 BHADRO CCCCC1CCC([NH2+]Cc2cocn2)CC1 ZINC000192296217 386756362 /nfs/dbraw/zinc/75/63/62/386756362.db2.gz GWPADSZJTXGIKU-UHFFFAOYSA-N 1 0 236.359 3.513 20 0 BHADRO CCCCC[C@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314130 644145692 /nfs/dbraw/zinc/14/56/92/644145692.db2.gz FLIUWBCRYSUAFP-ZDUSSCGKSA-N 1 0 238.375 3.759 20 0 BHADRO CCCCC[C@@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314135 644144419 /nfs/dbraw/zinc/14/44/19/644144419.db2.gz FLIUWBCRYSUAFP-CYBMUJFWSA-N 1 0 238.375 3.759 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314163 365322102 /nfs/dbraw/zinc/32/21/02/365322102.db2.gz WQTLTUJBUMOBNA-ZDUSSCGKSA-N 1 0 238.375 3.615 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314168 365321795 /nfs/dbraw/zinc/32/17/95/365321795.db2.gz WQTLTUJBUMOBNA-CYBMUJFWSA-N 1 0 238.375 3.615 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000192344229 365329145 /nfs/dbraw/zinc/32/91/45/365329145.db2.gz LAIXMEBLDKAZFT-UHFFFAOYSA-N 1 0 225.282 3.680 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000192352565 386759723 /nfs/dbraw/zinc/75/97/23/386759723.db2.gz JVEWWQUKUTXBEW-UHFFFAOYSA-N 1 0 240.416 3.792 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192369043 357829565 /nfs/dbraw/zinc/82/95/65/357829565.db2.gz GARWRXSENAHSCB-NHZBNJEXSA-N 1 0 245.366 3.716 20 0 BHADRO CC/C=C/CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192369047 357830208 /nfs/dbraw/zinc/83/02/08/357830208.db2.gz GARWRXSENAHSCB-BWPKMQGJSA-N 1 0 245.366 3.716 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccccn1 ZINC000192390075 385355905 /nfs/dbraw/zinc/35/59/05/385355905.db2.gz XXQZYENGKCBRMV-DYEKYZERSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000192390078 385355526 /nfs/dbraw/zinc/35/55/26/385355526.db2.gz XXQZYENGKCBRMV-OBJOEFQTSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccccn1 ZINC000192390080 385355561 /nfs/dbraw/zinc/35/55/61/385355561.db2.gz XXQZYENGKCBRMV-MBNYWOFBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000192390083 385354851 /nfs/dbraw/zinc/35/48/51/385354851.db2.gz XXQZYENGKCBRMV-SGMGOOAPSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cccnc1 ZINC000192390132 385355253 /nfs/dbraw/zinc/35/52/53/385355253.db2.gz SBJLFPSFAFXFQC-DYEKYZERSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cccnc1 ZINC000192390134 385355354 /nfs/dbraw/zinc/35/53/54/385355354.db2.gz SBJLFPSFAFXFQC-OBJOEFQTSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cccnc1 ZINC000192390136 385354404 /nfs/dbraw/zinc/35/44/04/385354404.db2.gz SBJLFPSFAFXFQC-MBNYWOFBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cccnc1 ZINC000192390139 385355903 /nfs/dbraw/zinc/35/59/03/385355903.db2.gz SBJLFPSFAFXFQC-SGMGOOAPSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1nccs1 ZINC000192391371 386760176 /nfs/dbraw/zinc/76/01/76/386760176.db2.gz IVTXBFLIMWMTRI-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1nccs1 ZINC000192391374 386759992 /nfs/dbraw/zinc/75/99/92/386759992.db2.gz IVTXBFLIMWMTRI-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1nccs1 ZINC000192391377 386759152 /nfs/dbraw/zinc/75/91/52/386759152.db2.gz IVTXBFLIMWMTRI-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1nccs1 ZINC000192391380 386760012 /nfs/dbraw/zinc/76/00/12/386760012.db2.gz IVTXBFLIMWMTRI-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO CSCCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000192391823 355982979 /nfs/dbraw/zinc/98/29/79/355982979.db2.gz RENJQYLQBDOFDM-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391826 355983107 /nfs/dbraw/zinc/98/31/07/355983107.db2.gz RENJQYLQBDOFDM-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000192391829 355982869 /nfs/dbraw/zinc/98/28/69/355982869.db2.gz RENJQYLQBDOFDM-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391832 355983041 /nfs/dbraw/zinc/98/30/41/355983041.db2.gz RENJQYLQBDOFDM-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1 ZINC000192509668 386779325 /nfs/dbraw/zinc/77/93/25/386779325.db2.gz HALKCXPCUAZLPE-CYBMUJFWSA-N 1 0 233.355 3.702 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1 ZINC000192509677 386778544 /nfs/dbraw/zinc/77/85/44/386778544.db2.gz HALKCXPCUAZLPE-ZDUSSCGKSA-N 1 0 233.355 3.702 20 0 BHADRO Cc1c[nH+]ccc1N[C@@H]1CCc2cc(F)ccc21 ZINC000192525408 357843814 /nfs/dbraw/zinc/84/38/14/357843814.db2.gz QOGAHXWSEYQMLG-OAHLLOKOSA-N 1 0 242.297 3.629 20 0 BHADRO Cc1c[nH+]ccc1N[C@H]1CCc2cc(F)ccc21 ZINC000192525423 357843779 /nfs/dbraw/zinc/84/37/79/357843779.db2.gz QOGAHXWSEYQMLG-HNNXBMFYSA-N 1 0 242.297 3.629 20 0 BHADRO Cc1c[nH+]ccc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000192587472 134036434 /nfs/dbraw/zinc/03/64/34/134036434.db2.gz YLNHTIMQSFQUMN-LSDHHAIUSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1c[nH+]ccc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000192587486 134036371 /nfs/dbraw/zinc/03/63/71/134036371.db2.gz YLNHTIMQSFQUMN-HUUCEWRRSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1c[nH+]ccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000192587500 134036814 /nfs/dbraw/zinc/03/68/14/134036814.db2.gz YLNHTIMQSFQUMN-GJZGRUSLSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1c[nH+]ccc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000192587512 134036448 /nfs/dbraw/zinc/03/64/48/134036448.db2.gz YLNHTIMQSFQUMN-CABCVRRESA-N 1 0 238.334 3.606 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192592882 166863565 /nfs/dbraw/zinc/86/35/65/166863565.db2.gz UHTPZPUAJYIQMV-OAHLLOKOSA-N 1 0 232.371 3.569 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192592899 166865674 /nfs/dbraw/zinc/86/56/74/166865674.db2.gz UHTPZPUAJYIQMV-HNNXBMFYSA-N 1 0 232.371 3.569 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192593682 541372039 /nfs/dbraw/zinc/37/20/39/541372039.db2.gz XBPFQUHPZNLYBN-OAHLLOKOSA-N 1 0 232.371 3.713 20 0 BHADRO CCCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192593698 538996070 /nfs/dbraw/zinc/99/60/70/538996070.db2.gz XBPFQUHPZNLYBN-HNNXBMFYSA-N 1 0 232.371 3.713 20 0 BHADRO Cc1ccc(N[C@@H](C)C2CCC2)c(C[NH+](C)C)c1 ZINC000192628268 356270707 /nfs/dbraw/zinc/27/07/07/356270707.db2.gz HBJALSDHZAUTRV-ZDUSSCGKSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(N[C@H](C)C2CCC2)c(C[NH+](C)C)c1 ZINC000192628283 387022528 /nfs/dbraw/zinc/02/25/28/387022528.db2.gz HBJALSDHZAUTRV-CYBMUJFWSA-N 1 0 246.398 3.657 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192628286 259588251 /nfs/dbraw/zinc/58/82/51/259588251.db2.gz LPJTUWLNVIFZRO-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192628312 259587983 /nfs/dbraw/zinc/58/79/83/259587983.db2.gz LPJTUWLNVIFZRO-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192634929 634242702 /nfs/dbraw/zinc/24/27/02/634242702.db2.gz AEIMLZIPRLGQNY-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192634942 644169164 /nfs/dbraw/zinc/16/91/64/644169164.db2.gz AEIMLZIPRLGQNY-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192634952 634243429 /nfs/dbraw/zinc/24/34/29/634243429.db2.gz AEIMLZIPRLGQNY-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCOC[C@H]1C ZINC000192634963 634243097 /nfs/dbraw/zinc/24/30/97/634243097.db2.gz AEIMLZIPRLGQNY-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[N@H+](CCSc1ccc(Cl)cc1)C1CC1 ZINC000192648740 388681702 /nfs/dbraw/zinc/68/17/02/388681702.db2.gz QZPBRJLUNZCKPO-UHFFFAOYSA-N 1 0 241.787 3.526 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1cccs1)C1CC1 ZINC000192659940 388681134 /nfs/dbraw/zinc/68/11/34/388681134.db2.gz OTZRVJSWEAMILH-LLVKDONJSA-N 1 0 223.385 3.757 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1cccs1)C1CC1 ZINC000192659952 259587943 /nfs/dbraw/zinc/58/79/43/259587943.db2.gz OTZRVJSWEAMILH-NSHDSACASA-N 1 0 223.385 3.757 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000192672030 365787708 /nfs/dbraw/zinc/78/77/08/365787708.db2.gz MDPSJSFJMOPATA-NSHDSACASA-N 1 0 249.379 3.789 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000192672045 365787816 /nfs/dbraw/zinc/78/78/16/365787816.db2.gz MDPSJSFJMOPATA-LLVKDONJSA-N 1 0 249.379 3.789 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C(C1CC1)C1CC1 ZINC000192674156 259588085 /nfs/dbraw/zinc/58/80/85/259588085.db2.gz QQUWBRYLIAXGLS-ACCUITESSA-N 1 0 241.378 3.868 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000192676669 365789193 /nfs/dbraw/zinc/78/91/93/365789193.db2.gz STNQLAUVDXJAKN-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000192676679 365789694 /nfs/dbraw/zinc/78/96/94/365789694.db2.gz STNQLAUVDXJAKN-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1C=CCCC1 ZINC000192695204 388681361 /nfs/dbraw/zinc/68/13/61/388681361.db2.gz DOIJWJPRWZHVQJ-GRNBYLDVSA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C=CCCC1 ZINC000192695219 388681081 /nfs/dbraw/zinc/68/10/81/388681081.db2.gz DOIJWJPRWZHVQJ-WCRPCQDQSA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1(C)CCC1 ZINC000192704182 365800305 /nfs/dbraw/zinc/80/03/05/365800305.db2.gz QHFPDZQWIOQNTA-ACCUITESSA-N 1 0 215.340 3.622 20 0 BHADRO Cc1c[nH+]ccc1NC1CCC(OC(C)C)CC1 ZINC000192714419 538997185 /nfs/dbraw/zinc/99/71/85/538997185.db2.gz KHKNVSDVNNIDCS-UHFFFAOYSA-N 1 0 248.370 3.538 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192739905 166591648 /nfs/dbraw/zinc/59/16/48/166591648.db2.gz AVUNWBNBPQBJGJ-CQSZACIVSA-N 1 0 232.371 3.569 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192739919 385369489 /nfs/dbraw/zinc/36/94/89/385369489.db2.gz AVUNWBNBPQBJGJ-AWEZNQCLSA-N 1 0 232.371 3.569 20 0 BHADRO CSCCCCCCNc1cc[nH+]cc1C ZINC000192761475 644182014 /nfs/dbraw/zinc/18/20/14/644182014.db2.gz YNKFURILAYTVIK-UHFFFAOYSA-N 1 0 238.400 3.725 20 0 BHADRO Cc1c[nH+]ccc1NCc1ccc(C(F)F)cc1 ZINC000192772625 357851999 /nfs/dbraw/zinc/85/19/99/357851999.db2.gz QNLPBIAGAKRBCH-UHFFFAOYSA-N 1 0 248.276 3.940 20 0 BHADRO c1coc(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000192787669 324200074 /nfs/dbraw/zinc/20/00/74/324200074.db2.gz VPFYONABIGLTIW-UHFFFAOYSA-N 1 0 233.336 3.506 20 0 BHADRO CSc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000192794277 385372290 /nfs/dbraw/zinc/37/22/90/385372290.db2.gz ZEUZIHNHIAVPOB-UHFFFAOYSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000192834215 388686177 /nfs/dbraw/zinc/68/61/77/388686177.db2.gz WYLWNNLSVONBEL-NSHDSACASA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000192834228 347385314 /nfs/dbraw/zinc/38/53/14/347385314.db2.gz WYLWNNLSVONBEL-LLVKDONJSA-N 1 0 235.396 3.639 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000192845797 388686973 /nfs/dbraw/zinc/68/69/73/388686973.db2.gz GEZOCPIBFQJYKG-ZJUUUORDSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000192845808 388687055 /nfs/dbraw/zinc/68/70/55/388687055.db2.gz GEZOCPIBFQJYKG-UWVGGRQHSA-N 1 0 237.309 3.695 20 0 BHADRO CCc1nc(C[N@H+](CC(C)C)C(C)C)cs1 ZINC000192850691 347385595 /nfs/dbraw/zinc/38/55/95/347385595.db2.gz GMWILXLGXVKDBP-UHFFFAOYSA-N 1 0 240.416 3.572 20 0 BHADRO CC(C)C[N@H+](Cc1cccs1)C(C)C ZINC000192850808 386680386 /nfs/dbraw/zinc/68/03/86/386680386.db2.gz GVXAVJTUELVUSA-UHFFFAOYSA-N 1 0 211.374 3.615 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CCC1 ZINC000192883498 538998824 /nfs/dbraw/zinc/99/88/24/538998824.db2.gz LXESTVHWCTTYNA-XHDPSFHLSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CCC1 ZINC000192883510 538998765 /nfs/dbraw/zinc/99/87/65/538998765.db2.gz LXESTVHWCTTYNA-IAQYHMDHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CCC1 ZINC000192883519 538998770 /nfs/dbraw/zinc/99/87/70/538998770.db2.gz LXESTVHWCTTYNA-NHYWBVRUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CCC1 ZINC000192883534 538998782 /nfs/dbraw/zinc/99/87/82/538998782.db2.gz LXESTVHWCTTYNA-ABAIWWIYSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192886888 365872075 /nfs/dbraw/zinc/87/20/75/365872075.db2.gz ISPULWWFEGPXEL-XJKSGUPXSA-N 1 0 246.398 3.815 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192886904 365871889 /nfs/dbraw/zinc/87/18/89/365871889.db2.gz ISPULWWFEGPXEL-CZUORRHYSA-N 1 0 246.398 3.815 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192886919 365872738 /nfs/dbraw/zinc/87/27/38/365872738.db2.gz ISPULWWFEGPXEL-BBRMVZONSA-N 1 0 246.398 3.815 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192886931 365871724 /nfs/dbraw/zinc/87/17/24/365871724.db2.gz ISPULWWFEGPXEL-CJNGLKHVSA-N 1 0 246.398 3.815 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000192895305 205968653 /nfs/dbraw/zinc/96/86/53/205968653.db2.gz OYQSLSUXQAKLLG-AEGPPILISA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000192895333 386769742 /nfs/dbraw/zinc/76/97/42/386769742.db2.gz OYQSLSUXQAKLLG-QEJZJMRPSA-N 1 0 246.398 3.947 20 0 BHADRO CCC(CC)[NH2+]Cc1sccc1Cl ZINC000192976644 385379161 /nfs/dbraw/zinc/37/91/61/385379161.db2.gz IMZIQIOQAUFYFR-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CC(C)CC[NH2+]Cc1sccc1Cl ZINC000192977140 386805369 /nfs/dbraw/zinc/80/53/69/386805369.db2.gz IITUEWOMMADQFP-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000192977463 259593510 /nfs/dbraw/zinc/59/35/10/259593510.db2.gz DUPPVHJINDVHNX-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000192977473 388689998 /nfs/dbraw/zinc/68/99/98/388689998.db2.gz DUPPVHJINDVHNX-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO Cl/C=C/C[NH+](C/C=C/Cl)CC1CCC1 ZINC000192993754 644203100 /nfs/dbraw/zinc/20/31/00/644203100.db2.gz ZTDNTVIVHGXVIX-YPCIICBESA-N 1 0 234.170 3.594 20 0 BHADRO Cc1cc(NCc2ccc3ncccc3c2)cc[nH+]1 ZINC000192999533 357864298 /nfs/dbraw/zinc/86/42/98/357864298.db2.gz MZWWVDROVWYERN-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000193001701 365910789 /nfs/dbraw/zinc/91/07/89/365910789.db2.gz MJVJPFHPHZQLHR-XJKSGUPXSA-N 1 0 242.366 3.632 20 0 BHADRO c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000193001714 365910940 /nfs/dbraw/zinc/91/09/40/365910940.db2.gz MJVJPFHPHZQLHR-BBRMVZONSA-N 1 0 242.366 3.632 20 0 BHADRO c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000193001730 365910934 /nfs/dbraw/zinc/91/09/34/365910934.db2.gz MJVJPFHPHZQLHR-CZUORRHYSA-N 1 0 242.366 3.632 20 0 BHADRO c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000193001748 365910258 /nfs/dbraw/zinc/91/02/58/365910258.db2.gz MJVJPFHPHZQLHR-CJNGLKHVSA-N 1 0 242.366 3.632 20 0 BHADRO Cc1c[nH+]ccc1NCc1ccc2ncccc2c1 ZINC000193003472 357864354 /nfs/dbraw/zinc/86/43/54/357864354.db2.gz FGOKWXIXXMITIG-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO Clc1ccsc1C[NH2+]Cc1ccsc1 ZINC000193004589 205972638 /nfs/dbraw/zinc/97/26/38/205972638.db2.gz RBGWTNUFLKAVFX-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000193014978 365962204 /nfs/dbraw/zinc/96/22/04/365962204.db2.gz OFDNTTTYYHFKOW-OAHLLOKOSA-N 1 0 244.382 3.713 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000193014998 365962312 /nfs/dbraw/zinc/96/23/12/365962312.db2.gz OFDNTTTYYHFKOW-HNNXBMFYSA-N 1 0 244.382 3.713 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC1 ZINC000193015152 388691385 /nfs/dbraw/zinc/69/13/85/388691385.db2.gz BPZNMDVSIBJQKO-OAHLLOKOSA-N 1 0 244.382 3.713 20 0 BHADRO CC1(C[NH2+][C@H]2CCCNc3ccccc32)CCC1 ZINC000193015167 388691879 /nfs/dbraw/zinc/69/18/79/388691879.db2.gz BPZNMDVSIBJQKO-HNNXBMFYSA-N 1 0 244.382 3.713 20 0 BHADRO CC(C)(C)C[NH2+]Cc1sccc1Cl ZINC000193038757 386813242 /nfs/dbraw/zinc/81/32/42/386813242.db2.gz HCXSIRBZSYSYJK-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO Clc1ccsc1C[NH2+]C(C1CC1)C1CC1 ZINC000193053851 386833956 /nfs/dbraw/zinc/83/39/56/386833956.db2.gz ZPJCBEAEMMAFED-UHFFFAOYSA-N 1 0 241.787 3.680 20 0 BHADRO CCC(C)(C)[NH2+]Cc1sccc1Cl ZINC000193072652 387048307 /nfs/dbraw/zinc/04/83/07/387048307.db2.gz SKVVRPAXWDAVGQ-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1sccc1Cl ZINC000193101583 387089520 /nfs/dbraw/zinc/08/95/20/387089520.db2.gz QMSYHKNLSDGZEL-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1sccc1Cl ZINC000193101596 387090179 /nfs/dbraw/zinc/09/01/79/387090179.db2.gz QMSYHKNLSDGZEL-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)CCOC1CC[NH+](CCC(C)C)CC1 ZINC000193112319 388693104 /nfs/dbraw/zinc/69/31/04/388693104.db2.gz JBIKZOAGWNKDIC-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CSCCCC[NH2+]Cc1sccc1Cl ZINC000193114205 387117530 /nfs/dbraw/zinc/11/75/30/387117530.db2.gz ZWPAWEMFJSZDEE-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)C1CCCC1 ZINC000193118951 385385730 /nfs/dbraw/zinc/38/57/30/385385730.db2.gz UOKYOFBEXIGVBG-UHFFFAOYSA-N 1 0 246.379 3.671 20 0 BHADRO C[N@H+](Cc1ccc2ccccc2n1)C1CCCC1 ZINC000193120420 385384899 /nfs/dbraw/zinc/38/48/99/385384899.db2.gz NKUXGSTZEBKYGG-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1sccc1Cl ZINC000193133700 175443057 /nfs/dbraw/zinc/44/30/57/175443057.db2.gz BPIKNZHEYCRTNW-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CCC1([NH2+]Cc2sccc2Cl)CCC1 ZINC000193137406 387229765 /nfs/dbraw/zinc/22/97/65/387229765.db2.gz LEGCPYRDGLCKLE-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCC1(C[NH2+]Cc2sccc2Cl)CC1 ZINC000193140384 387250373 /nfs/dbraw/zinc/25/03/73/387250373.db2.gz AKKUDKKGQIOASB-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCC1(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193140422 387250082 /nfs/dbraw/zinc/25/00/82/387250082.db2.gz QXVCPWZRJSEKJW-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC1(C[NH2+]Cc2sccc2Cl)CCC1 ZINC000193140521 387251725 /nfs/dbraw/zinc/25/17/25/387251725.db2.gz LPZYJSDRMHEZPI-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC1(C[NH2+]Cc2cc(Cl)cs2)CCC1 ZINC000193140551 387251665 /nfs/dbraw/zinc/25/16/65/387251665.db2.gz ADHAJZFICOAARL-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193146741 205978407 /nfs/dbraw/zinc/97/84/07/205978407.db2.gz HHEPPVQBAGOBHO-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193146758 205978195 /nfs/dbraw/zinc/97/81/95/205978195.db2.gz HHEPPVQBAGOBHO-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000193146772 385384830 /nfs/dbraw/zinc/38/48/30/385384830.db2.gz HHEPPVQBAGOBHO-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193146786 387286874 /nfs/dbraw/zinc/28/68/74/387286874.db2.gz HHEPPVQBAGOBHO-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO Clc1ccsc1C[NH2+][C@H]1C=CCCC1 ZINC000193148330 387285342 /nfs/dbraw/zinc/28/53/42/387285342.db2.gz UMTFUURUUXYWMY-VIFPVBQESA-N 1 0 227.760 3.600 20 0 BHADRO CCCNc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000193154537 219948946 /nfs/dbraw/zinc/94/89/46/219948946.db2.gz MFMBJIQXQAYFON-UHFFFAOYSA-N 1 0 234.387 3.644 20 0 BHADRO CCCNc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000193155049 387732625 /nfs/dbraw/zinc/73/26/25/387732625.db2.gz LGUSNQOTKPPCKE-UHFFFAOYSA-N 1 0 232.371 3.541 20 0 BHADRO Clc1ccsc1C[NH2+]CC1(C2CC2)CC1 ZINC000193178083 387135689 /nfs/dbraw/zinc/13/56/89/387135689.db2.gz MXHCDFXUDPVAHE-UHFFFAOYSA-N 1 0 241.787 3.681 20 0 BHADRO Clc1csc(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000193178120 387136909 /nfs/dbraw/zinc/13/69/09/387136909.db2.gz NWIRNKORWSRSME-UHFFFAOYSA-N 1 0 241.787 3.681 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1sccc1Cl ZINC000193203122 256683925 /nfs/dbraw/zinc/68/39/25/256683925.db2.gz KZJGEAFIAATJLF-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1cccnc1 ZINC000193274445 388698012 /nfs/dbraw/zinc/69/80/12/388698012.db2.gz QDBYHZQLSKRUJY-CYBMUJFWSA-N 1 0 232.371 3.530 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1cncs1 ZINC000193274492 387203879 /nfs/dbraw/zinc/20/38/79/387203879.db2.gz XBZBJRWWGSTDCF-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)CC1CCCCC1 ZINC000193274620 386963099 /nfs/dbraw/zinc/96/30/99/386963099.db2.gz KDHGOAQDVRSGIZ-CYBMUJFWSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1cscn1 ZINC000193274693 387204988 /nfs/dbraw/zinc/20/49/88/387204988.db2.gz CCQORHHCSVTKRP-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccncc1 ZINC000193274727 388698811 /nfs/dbraw/zinc/69/88/11/388698811.db2.gz ZYMUYVDVTBPQSJ-CYBMUJFWSA-N 1 0 232.371 3.530 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccccn1 ZINC000193275012 388698853 /nfs/dbraw/zinc/69/88/53/388698853.db2.gz NJIDMLQFRBKZSC-CYBMUJFWSA-N 1 0 232.371 3.530 20 0 BHADRO CC(C)(C)C[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000193278926 385391071 /nfs/dbraw/zinc/39/10/71/385391071.db2.gz KIMNEENZEMLHEZ-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000193278940 385390291 /nfs/dbraw/zinc/39/02/91/385390291.db2.gz KIMNEENZEMLHEZ-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CCCCC[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000193282177 644231919 /nfs/dbraw/zinc/23/19/19/644231919.db2.gz CZOHBSIIIWNGOX-INIZCTEOSA-N 1 0 249.398 3.670 20 0 BHADRO CCCCC[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000193282187 644231679 /nfs/dbraw/zinc/23/16/79/644231679.db2.gz CZOHBSIIIWNGOX-MRXNPFEDSA-N 1 0 249.398 3.670 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CCCF ZINC000193302612 539004039 /nfs/dbraw/zinc/00/40/39/539004039.db2.gz KVZVZYNAJVRMSI-ZDUSSCGKSA-N 1 0 215.356 3.708 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CCCF ZINC000193302622 539004021 /nfs/dbraw/zinc/00/40/21/539004021.db2.gz KVZVZYNAJVRMSI-CYBMUJFWSA-N 1 0 215.356 3.708 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)CCCO ZINC000193303956 259599018 /nfs/dbraw/zinc/59/90/18/259599018.db2.gz FNOJJRFIDLWHCR-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H](C)CCCO ZINC000193303969 259599291 /nfs/dbraw/zinc/59/92/91/259599291.db2.gz FNOJJRFIDLWHCR-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)CCCO ZINC000193303979 388699552 /nfs/dbraw/zinc/69/95/52/388699552.db2.gz FNOJJRFIDLWHCR-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H](C)CCCO ZINC000193303991 388699822 /nfs/dbraw/zinc/69/98/22/388699822.db2.gz FNOJJRFIDLWHCR-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000193308061 367163306 /nfs/dbraw/zinc/16/33/06/367163306.db2.gz GGPOICUXIPGESZ-QGZVFWFLSA-N 1 0 237.346 3.836 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000193308068 347268411 /nfs/dbraw/zinc/26/84/11/347268411.db2.gz GGPOICUXIPGESZ-KRWDZBQOSA-N 1 0 237.346 3.836 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000193327286 385392898 /nfs/dbraw/zinc/39/28/98/385392898.db2.gz HILFLZLGNYRLTJ-LBPRGKRZSA-N 1 0 235.396 3.623 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000193327298 387199396 /nfs/dbraw/zinc/19/93/96/387199396.db2.gz HILFLZLGNYRLTJ-GFCCVEGCSA-N 1 0 235.396 3.623 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccccc2C)CCC1 ZINC000193328655 387200659 /nfs/dbraw/zinc/20/06/59/387200659.db2.gz NPJKVRDNDJGUKK-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccccc2C)CCC1 ZINC000193328669 387200155 /nfs/dbraw/zinc/20/01/55/387200155.db2.gz NPJKVRDNDJGUKK-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC000193329597 387199512 /nfs/dbraw/zinc/19/95/12/387199512.db2.gz NITSSYDDXRXJDZ-CQSZACIVSA-N 1 0 247.407 3.549 20 0 BHADRO CSC1(C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC000193329606 387200583 /nfs/dbraw/zinc/20/05/83/387200583.db2.gz NITSSYDDXRXJDZ-AWEZNQCLSA-N 1 0 247.407 3.549 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)c1ccccc1 ZINC000193330107 385391857 /nfs/dbraw/zinc/39/18/57/385391857.db2.gz PNBPASYMDGYSDA-ZDUSSCGKSA-N 1 0 235.396 3.623 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)c1ccccc1 ZINC000193330122 385393115 /nfs/dbraw/zinc/39/31/15/385393115.db2.gz PNBPASYMDGYSDA-CYBMUJFWSA-N 1 0 235.396 3.623 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000193330411 387198741 /nfs/dbraw/zinc/19/87/41/387198741.db2.gz MRZPHNXMOLYDSE-CQSZACIVSA-N 1 0 247.407 3.549 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000193330423 387199895 /nfs/dbraw/zinc/19/98/95/387199895.db2.gz MRZPHNXMOLYDSE-AWEZNQCLSA-N 1 0 247.407 3.549 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000193331457 385392685 /nfs/dbraw/zinc/39/26/85/385392685.db2.gz FYNDONSBPRXOGM-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000193331467 175453672 /nfs/dbraw/zinc/45/36/72/175453672.db2.gz FYNDONSBPRXOGM-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000193331927 385393097 /nfs/dbraw/zinc/39/30/97/385393097.db2.gz OBGLAJOEIPHOFN-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000193331939 385393106 /nfs/dbraw/zinc/39/31/06/385393106.db2.gz OBGLAJOEIPHOFN-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000193343631 367169007 /nfs/dbraw/zinc/16/90/07/367169007.db2.gz OCEDYGGNPRNNBA-UHFFFAOYSA-N 1 0 247.363 3.814 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000193357399 346161412 /nfs/dbraw/zinc/16/14/12/346161412.db2.gz HMEKDZQKPRJWMX-ZDUSSCGKSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000193357415 346161393 /nfs/dbraw/zinc/16/13/93/346161393.db2.gz HMEKDZQKPRJWMX-CYBMUJFWSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000193358885 387229071 /nfs/dbraw/zinc/22/90/71/387229071.db2.gz NAIAPUSWFRXVQE-ZDUSSCGKSA-N 1 0 234.387 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000193358897 387228636 /nfs/dbraw/zinc/22/86/36/387228636.db2.gz NAIAPUSWFRXVQE-CYBMUJFWSA-N 1 0 234.387 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000193360285 346164697 /nfs/dbraw/zinc/16/46/97/346164697.db2.gz MJSUIWLPZMCFMS-ZDUSSCGKSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000193360300 346164719 /nfs/dbraw/zinc/16/47/19/346164719.db2.gz MJSUIWLPZMCFMS-CYBMUJFWSA-N 1 0 246.398 3.787 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)c2ccccc2)CCC1 ZINC000193363447 387095094 /nfs/dbraw/zinc/09/50/94/387095094.db2.gz HHGACRFVSNDWDJ-ZDUSSCGKSA-N 1 0 249.423 3.665 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)c2ccccc2)CCC1 ZINC000193363459 387095939 /nfs/dbraw/zinc/09/59/39/387095939.db2.gz HHGACRFVSNDWDJ-CYBMUJFWSA-N 1 0 249.423 3.665 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)CCC)cc1 ZINC000193364876 367170538 /nfs/dbraw/zinc/17/05/38/367170538.db2.gz UHLPGPPZLDCDDO-CYBMUJFWSA-N 1 0 234.387 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H](C)CCC)cc1 ZINC000193364915 367170918 /nfs/dbraw/zinc/17/09/18/367170918.db2.gz UHLPGPPZLDCDDO-ZDUSSCGKSA-N 1 0 234.387 3.787 20 0 BHADRO CSC1(C[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000193365244 205984341 /nfs/dbraw/zinc/98/43/41/205984341.db2.gz DALRIPMRSBKSRH-ZDUSSCGKSA-N 1 0 249.423 3.665 20 0 BHADRO CSC1(C[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000193365255 387098251 /nfs/dbraw/zinc/09/82/51/387098251.db2.gz DALRIPMRSBKSRH-CYBMUJFWSA-N 1 0 249.423 3.665 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000193423864 387147891 /nfs/dbraw/zinc/14/78/91/387147891.db2.gz XRJLMPNCXNMPNN-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000193423873 387147464 /nfs/dbraw/zinc/14/74/64/387147464.db2.gz XRJLMPNCXNMPNN-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000193423888 387148948 /nfs/dbraw/zinc/14/89/48/387148948.db2.gz XRJLMPNCXNMPNN-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000193423906 385397209 /nfs/dbraw/zinc/39/72/09/385397209.db2.gz XRJLMPNCXNMPNN-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000193428154 205985599 /nfs/dbraw/zinc/98/55/99/205985599.db2.gz ZWFKTALPAUWVHV-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000193428182 387156293 /nfs/dbraw/zinc/15/62/93/387156293.db2.gz ZWFKTALPAUWVHV-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000193429195 387156195 /nfs/dbraw/zinc/15/61/95/387156195.db2.gz UWXIMQHCOCSQRT-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000193429212 387157746 /nfs/dbraw/zinc/15/77/46/387157746.db2.gz UWXIMQHCOCSQRT-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000193429224 205985327 /nfs/dbraw/zinc/98/53/27/205985327.db2.gz UWXIMQHCOCSQRT-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000193429238 387157169 /nfs/dbraw/zinc/15/71/69/387157169.db2.gz UWXIMQHCOCSQRT-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000193432374 387170065 /nfs/dbraw/zinc/17/00/65/387170065.db2.gz QYAXHLLAECMOGB-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000193432393 205985479 /nfs/dbraw/zinc/98/54/79/205985479.db2.gz QYAXHLLAECMOGB-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000193432404 387169277 /nfs/dbraw/zinc/16/92/77/387169277.db2.gz QYAXHLLAECMOGB-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000193432423 205985345 /nfs/dbraw/zinc/98/53/45/205985345.db2.gz QYAXHLLAECMOGB-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000193432596 387170239 /nfs/dbraw/zinc/17/02/39/387170239.db2.gz MRCAMQDDRFIHOE-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CCO[C@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000193432612 387170006 /nfs/dbraw/zinc/17/00/06/387170006.db2.gz MRCAMQDDRFIHOE-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO CCO[C@@H](C[NH2+]C(CC)CC)c1ccccc1 ZINC000193434201 387177118 /nfs/dbraw/zinc/17/71/18/387177118.db2.gz NNMYGEVLFWCGPM-HNNXBMFYSA-N 1 0 235.371 3.542 20 0 BHADRO CCO[C@H](C[NH2+]C(CC)CC)c1ccccc1 ZINC000193434214 387177488 /nfs/dbraw/zinc/17/74/88/387177488.db2.gz NNMYGEVLFWCGPM-OAHLLOKOSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000193434677 387177707 /nfs/dbraw/zinc/17/77/07/387177707.db2.gz XUWNGEUZIQWCGI-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000193434693 387177665 /nfs/dbraw/zinc/17/76/65/387177665.db2.gz XUWNGEUZIQWCGI-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000193434715 387176872 /nfs/dbraw/zinc/17/68/72/387176872.db2.gz XUWNGEUZIQWCGI-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000193434730 387176675 /nfs/dbraw/zinc/17/66/75/387176675.db2.gz XUWNGEUZIQWCGI-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000193434964 134596223 /nfs/dbraw/zinc/59/62/23/134596223.db2.gz YPMCEXXWPNMHIN-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000193434981 134596378 /nfs/dbraw/zinc/59/63/78/134596378.db2.gz YPMCEXXWPNMHIN-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000193435000 357925481 /nfs/dbraw/zinc/92/54/81/357925481.db2.gz YPMCEXXWPNMHIN-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000193435017 357925557 /nfs/dbraw/zinc/92/55/57/357925557.db2.gz YPMCEXXWPNMHIN-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO C[N@@H+](Cc1csc2ccccc12)CC1CC1 ZINC000193489163 388706537 /nfs/dbraw/zinc/70/65/37/388706537.db2.gz FLOJSVJKMDGIJO-UHFFFAOYSA-N 1 0 231.364 3.743 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC000193576441 644254386 /nfs/dbraw/zinc/25/43/86/644254386.db2.gz LYKNNDGLNBKCMK-INIZCTEOSA-N 1 0 245.366 3.590 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC000193576456 644255197 /nfs/dbraw/zinc/25/51/97/644255197.db2.gz LYKNNDGLNBKCMK-MRXNPFEDSA-N 1 0 245.366 3.590 20 0 BHADRO CC(C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000193596096 387797462 /nfs/dbraw/zinc/79/74/62/387797462.db2.gz BJQMYWPZCKXDAI-CYBMUJFWSA-N 1 0 205.345 3.520 20 0 BHADRO CC(C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000193596118 387797521 /nfs/dbraw/zinc/79/75/21/387797521.db2.gz BJQMYWPZCKXDAI-ZDUSSCGKSA-N 1 0 205.345 3.520 20 0 BHADRO C=Cn1cc(C[N@@H+](C(C)C)C2CCCCC2)cn1 ZINC000193603479 387797236 /nfs/dbraw/zinc/79/72/36/387797236.db2.gz BLYQIVMYFHNRRM-UHFFFAOYSA-N 1 0 247.386 3.527 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)c1 ZINC000193623724 385403823 /nfs/dbraw/zinc/40/38/23/385403823.db2.gz OMBJUYLPIYEDHE-STQMWFEESA-N 1 0 249.379 3.578 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)c1 ZINC000193623737 205700076 /nfs/dbraw/zinc/70/00/76/205700076.db2.gz OMBJUYLPIYEDHE-QWHCGFSZSA-N 1 0 249.379 3.578 20 0 BHADRO CSC1(C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000193644573 387796964 /nfs/dbraw/zinc/79/69/64/387796964.db2.gz CFKBUCGSHRNCFH-WEVVVXLNSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193646900 176015189 /nfs/dbraw/zinc/01/51/89/176015189.db2.gz IHGFEFWLJRRSBX-WFASDCNBSA-N 1 0 249.329 3.511 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193646919 177034553 /nfs/dbraw/zinc/03/45/53/177034553.db2.gz IHGFEFWLJRRSBX-DOMZBBRYSA-N 1 0 249.329 3.511 20 0 BHADRO CSC1(C[NH2+]C2CCCCCC2)CCC1 ZINC000193648140 387799778 /nfs/dbraw/zinc/79/97/78/387799778.db2.gz VBEVVJPVFHLTFW-UHFFFAOYSA-N 1 0 227.417 3.585 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cc1 ZINC000193654069 188004272 /nfs/dbraw/zinc/00/42/72/188004272.db2.gz SQMFKAKIGQOTHB-HOTGVXAUSA-N 1 0 243.350 3.516 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cc1 ZINC000193654087 385406559 /nfs/dbraw/zinc/40/65/59/385406559.db2.gz SQMFKAKIGQOTHB-JKSUJKDBSA-N 1 0 243.350 3.516 20 0 BHADRO CSC1(C[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000193662736 385406544 /nfs/dbraw/zinc/40/65/44/385406544.db2.gz WBYBVIMJDTYIRZ-JLHYYAGUSA-N 1 0 247.407 3.575 20 0 BHADRO CCCC1CCC([NH2+]CCCOC(F)F)CC1 ZINC000193669055 388712847 /nfs/dbraw/zinc/71/28/47/388712847.db2.gz KDNMQFOWDAACMF-UHFFFAOYSA-N 1 0 249.345 3.564 20 0 BHADRO CCC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000193673124 387801699 /nfs/dbraw/zinc/80/16/99/387801699.db2.gz UTJXTFUSVLINDV-CYBMUJFWSA-N 1 0 205.345 3.522 20 0 BHADRO CCC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000193673145 387803135 /nfs/dbraw/zinc/80/31/35/387803135.db2.gz UTJXTFUSVLINDV-ZDUSSCGKSA-N 1 0 205.345 3.522 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193680784 176024532 /nfs/dbraw/zinc/02/45/32/176024532.db2.gz SFAACMPBRBNPQP-STQMWFEESA-N 1 0 249.329 3.511 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193680796 177041981 /nfs/dbraw/zinc/04/19/81/177041981.db2.gz SFAACMPBRBNPQP-OLZOCXBDSA-N 1 0 249.329 3.511 20 0 BHADRO C[C@@H](CC[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000193686704 323366807 /nfs/dbraw/zinc/36/68/07/323366807.db2.gz CKCMQEPXTJLJHI-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](CC[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000193686726 323366791 /nfs/dbraw/zinc/36/67/91/323366791.db2.gz CKCMQEPXTJLJHI-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC=CO2)cc1 ZINC000193687646 644273088 /nfs/dbraw/zinc/27/30/88/644273088.db2.gz PBOASEVTAFPFSG-ZBFHGGJFSA-N 1 0 245.366 3.681 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC=CO2)cc1 ZINC000193687661 644273656 /nfs/dbraw/zinc/27/36/56/644273656.db2.gz PBOASEVTAFPFSG-HOCLYGCPSA-N 1 0 245.366 3.681 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CCCO2 ZINC000193693404 387861660 /nfs/dbraw/zinc/86/16/60/387861660.db2.gz MVYICIGVPBJQHX-CQSZACIVSA-N 1 0 249.329 3.572 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CCCO2 ZINC000193693415 387862989 /nfs/dbraw/zinc/86/29/89/387862989.db2.gz MVYICIGVPBJQHX-AWEZNQCLSA-N 1 0 249.329 3.572 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000193729701 259609598 /nfs/dbraw/zinc/60/95/98/259609598.db2.gz BMUJDXLYFBZUNU-JTQLQIEISA-N 1 0 225.282 3.512 20 0 BHADRO CSC1(CNc2cc[nH+]c3ccccc23)CC1 ZINC000193730679 385409274 /nfs/dbraw/zinc/40/92/74/385409274.db2.gz AGHBFIHNKBRZTF-UHFFFAOYSA-N 1 0 244.363 3.542 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000193733898 527571548 /nfs/dbraw/zinc/57/15/48/527571548.db2.gz ZGHPHUGOVJQNJD-LBPRGKRZSA-N 1 0 235.371 3.725 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000193733911 527572476 /nfs/dbraw/zinc/57/24/76/527572476.db2.gz ZGHPHUGOVJQNJD-GFCCVEGCSA-N 1 0 235.371 3.725 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000193736407 387211476 /nfs/dbraw/zinc/21/14/76/387211476.db2.gz XQOOLMZRPBZIDD-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000193736421 387211286 /nfs/dbraw/zinc/21/12/86/387211286.db2.gz XQOOLMZRPBZIDD-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccoc2)cc1Cl ZINC000193737811 178616775 /nfs/dbraw/zinc/61/67/75/178616775.db2.gz JUALVCISXZIMGP-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO C[C@@H](CC[N@H+](C)CC1CC1)c1ccccc1 ZINC000193780397 385411761 /nfs/dbraw/zinc/41/17/61/385411761.db2.gz HEKWWVBXCSXJKA-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](CC[N@H+](C)CC1CC1)c1ccccc1 ZINC000193780414 323367521 /nfs/dbraw/zinc/36/75/21/323367521.db2.gz HEKWWVBXCSXJKA-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)o2)CCC1 ZINC000193801897 385413175 /nfs/dbraw/zinc/41/31/75/385413175.db2.gz JMSKDDYQKYLVID-LLVKDONJSA-N 1 0 239.384 3.524 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)o2)CCC1 ZINC000193801912 385413420 /nfs/dbraw/zinc/41/34/20/385413420.db2.gz JMSKDDYQKYLVID-NSHDSACASA-N 1 0 239.384 3.524 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cccs2)CCC1 ZINC000193802885 398029444 /nfs/dbraw/zinc/02/94/44/398029444.db2.gz GITZEEUUEXXHLI-JTQLQIEISA-N 1 0 241.425 3.684 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cccs2)CCC1 ZINC000193802901 398029730 /nfs/dbraw/zinc/02/97/30/398029730.db2.gz GITZEEUUEXXHLI-SNVBAGLBSA-N 1 0 241.425 3.684 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC23CCCC3)CCC1 ZINC000193807748 205998671 /nfs/dbraw/zinc/99/86/71/205998671.db2.gz YPQHQXMRFFZTJV-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC23CCCC3)CCC1 ZINC000193807764 398030285 /nfs/dbraw/zinc/03/02/85/398030285.db2.gz YPQHQXMRFFZTJV-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccsc2)CCC1 ZINC000193810125 387809904 /nfs/dbraw/zinc/80/99/04/387809904.db2.gz UUTPCTMPLNUODU-JTQLQIEISA-N 1 0 241.425 3.684 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccsc2)CCC1 ZINC000193810140 387809144 /nfs/dbraw/zinc/80/91/44/387809144.db2.gz UUTPCTMPLNUODU-SNVBAGLBSA-N 1 0 241.425 3.684 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(O)c2)CCC1 ZINC000193813526 385412736 /nfs/dbraw/zinc/41/27/36/385412736.db2.gz QDLDTPDTPKFTNV-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(O)c2)CCC1 ZINC000193813540 168481940 /nfs/dbraw/zinc/48/19/40/168481940.db2.gz QDLDTPDTPKFTNV-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000193814676 175454502 /nfs/dbraw/zinc/45/45/02/175454502.db2.gz KJNOZBAFOLIGSV-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000193814687 387810257 /nfs/dbraw/zinc/81/02/57/387810257.db2.gz KJNOZBAFOLIGSV-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000193816955 385413258 /nfs/dbraw/zinc/41/32/58/385413258.db2.gz LOOGTWHIENSFAE-GFCCVEGCSA-N 1 0 235.396 3.541 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000193816969 385412337 /nfs/dbraw/zinc/41/23/37/385412337.db2.gz LOOGTWHIENSFAE-LBPRGKRZSA-N 1 0 235.396 3.541 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000193817015 387810574 /nfs/dbraw/zinc/81/05/74/387810574.db2.gz DNDUBJVXVYOCJU-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000193817026 387810497 /nfs/dbraw/zinc/81/04/97/387810497.db2.gz DNDUBJVXVYOCJU-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(SC)CC2)cc1 ZINC000193817097 387809006 /nfs/dbraw/zinc/80/90/06/387809006.db2.gz ZJIVBNVZIOUMGA-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(SC)CC2)cc1 ZINC000193817109 205997963 /nfs/dbraw/zinc/99/79/63/205997963.db2.gz ZJIVBNVZIOUMGA-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CSC1(C[NH2+]C2CCCCCCC2)CC1 ZINC000193819779 644282389 /nfs/dbraw/zinc/28/23/89/644282389.db2.gz BZURPDLDVRKELL-UHFFFAOYSA-N 1 0 227.417 3.585 20 0 BHADRO CSC1(C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000193820233 205998603 /nfs/dbraw/zinc/99/86/03/205998603.db2.gz LADSRLGKWXIUQR-AWEZNQCLSA-N 1 0 249.423 3.869 20 0 BHADRO CSC1(C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000193820245 205997265 /nfs/dbraw/zinc/99/72/65/205997265.db2.gz LADSRLGKWXIUQR-CQSZACIVSA-N 1 0 249.423 3.869 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000193821320 205997754 /nfs/dbraw/zinc/99/77/54/205997754.db2.gz QICLIAXTUUIXQU-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000193821331 205997793 /nfs/dbraw/zinc/99/77/93/205997793.db2.gz QICLIAXTUUIXQU-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000193825908 205997360 /nfs/dbraw/zinc/99/73/60/205997360.db2.gz DWMFLVXYUMDXGZ-CHWSQXEVSA-N 1 0 249.423 3.664 20 0 BHADRO CSC1(C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000193825919 387810579 /nfs/dbraw/zinc/81/05/79/387810579.db2.gz DWMFLVXYUMDXGZ-QWHCGFSZSA-N 1 0 249.423 3.664 20 0 BHADRO CSC1(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000193825938 387810326 /nfs/dbraw/zinc/81/03/26/387810326.db2.gz DWMFLVXYUMDXGZ-OLZOCXBDSA-N 1 0 249.423 3.664 20 0 BHADRO CSC1(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000193825951 387809569 /nfs/dbraw/zinc/80/95/69/387809569.db2.gz DWMFLVXYUMDXGZ-STQMWFEESA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)c1ccc(C)cc1 ZINC000193830256 387803981 /nfs/dbraw/zinc/80/39/81/387803981.db2.gz FSONWOMYAKZORX-AWEZNQCLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)c1ccc(C)cc1 ZINC000193830272 205995194 /nfs/dbraw/zinc/99/51/94/205995194.db2.gz FSONWOMYAKZORX-CQSZACIVSA-N 1 0 249.423 3.931 20 0 BHADRO C=Cn1cc(C[N@@H+](C)C2CCCCCCC2)cn1 ZINC000193830669 644284126 /nfs/dbraw/zinc/28/41/26/644284126.db2.gz PUIPBNZTHVKQHX-UHFFFAOYSA-N 1 0 247.386 3.528 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000193832863 205995782 /nfs/dbraw/zinc/99/57/82/205995782.db2.gz XVLLEJVOCSENRA-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000193832878 387806060 /nfs/dbraw/zinc/80/60/60/387806060.db2.gz XVLLEJVOCSENRA-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000193834116 385414322 /nfs/dbraw/zinc/41/43/22/385414322.db2.gz DIXKFUIUDADQEF-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000193834133 387805942 /nfs/dbraw/zinc/80/59/42/387805942.db2.gz DIXKFUIUDADQEF-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)c1cccs1 ZINC000193834244 387806869 /nfs/dbraw/zinc/80/68/69/387806869.db2.gz GSOXHSSQSBDUQW-JTQLQIEISA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)c1cccs1 ZINC000193834254 205994096 /nfs/dbraw/zinc/99/40/96/205994096.db2.gz GSOXHSSQSBDUQW-SNVBAGLBSA-N 1 0 241.425 3.684 20 0 BHADRO CSC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000193834871 385414687 /nfs/dbraw/zinc/41/46/87/385414687.db2.gz IOHZRLHTRJFFML-AWEZNQCLSA-N 1 0 247.407 3.623 20 0 BHADRO CSC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000193834889 385414198 /nfs/dbraw/zinc/41/41/98/385414198.db2.gz IOHZRLHTRJFFML-CQSZACIVSA-N 1 0 247.407 3.623 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000193843781 387806669 /nfs/dbraw/zinc/80/66/69/387806669.db2.gz IUHOFFVZPBPCOJ-NSHDSACASA-N 1 0 248.395 3.945 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000193843798 387807517 /nfs/dbraw/zinc/80/75/17/387807517.db2.gz IUHOFFVZPBPCOJ-LLVKDONJSA-N 1 0 248.395 3.945 20 0 BHADRO CSCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000193847766 367220696 /nfs/dbraw/zinc/22/06/96/367220696.db2.gz OZAWHZCIVLLGCF-UHFFFAOYSA-N 1 0 243.441 3.630 20 0 BHADRO c1ccc(CSCC[NH2+][C@H]2CC=CCC2)cc1 ZINC000193909506 387811044 /nfs/dbraw/zinc/81/10/44/387811044.db2.gz CNWGMTDKGTZRSF-HNNXBMFYSA-N 1 0 247.407 3.618 20 0 BHADRO c1ccc(CSCC[NH2+][C@@H]2CC=CCC2)cc1 ZINC000193909521 385416836 /nfs/dbraw/zinc/41/68/36/385416836.db2.gz CNWGMTDKGTZRSF-OAHLLOKOSA-N 1 0 247.407 3.618 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000193966384 634298850 /nfs/dbraw/zinc/29/88/50/634298850.db2.gz UOUCQHYXPXMKFX-JKSUJKDBSA-N 1 0 247.382 3.501 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000193966399 644289693 /nfs/dbraw/zinc/28/96/93/644289693.db2.gz UOUCQHYXPXMKFX-HOTGVXAUSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@@H](CC[N@H+](C)C1CCC1)c1ccccc1 ZINC000193974131 206000146 /nfs/dbraw/zinc/00/01/46/206000146.db2.gz PELQJLSEHLACLQ-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](CC[N@H+](C)C1CCC1)c1ccccc1 ZINC000193974150 206000494 /nfs/dbraw/zinc/00/04/94/206000494.db2.gz PELQJLSEHLACLQ-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]([NH2+]CCCOC(F)F)C1CCCCC1 ZINC000194041932 259396367 /nfs/dbraw/zinc/39/63/67/259396367.db2.gz YHJGCJDCASCQLP-LBPRGKRZSA-N 1 0 249.345 3.564 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(F)F)C1CCCCC1 ZINC000194041946 259396170 /nfs/dbraw/zinc/39/61/70/259396170.db2.gz YHJGCJDCASCQLP-GFCCVEGCSA-N 1 0 249.345 3.564 20 0 BHADRO Cc1cnccc1NC(=O)[C@@H]1CCCCC1(C)C ZINC000194063346 385422950 /nfs/dbraw/zinc/42/29/50/385422950.db2.gz KFNBAFHSUHPYTJ-LBPRGKRZSA-N 1 0 246.354 3.545 20 0 BHADRO Cc1cnccc1NC(=O)[C@H]1CCCCC1(C)C ZINC000194063366 385422961 /nfs/dbraw/zinc/42/29/61/385422961.db2.gz KFNBAFHSUHPYTJ-GFCCVEGCSA-N 1 0 246.354 3.545 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C1CCOCC1 ZINC000194065463 388475853 /nfs/dbraw/zinc/47/58/53/388475853.db2.gz SCNUEOQJNQAQMO-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C1CCOCC1 ZINC000194065480 388476409 /nfs/dbraw/zinc/47/64/09/388476409.db2.gz SCNUEOQJNQAQMO-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC[N@H+](Cc1ccccc1OC(F)F)C(C)C ZINC000194090733 388477454 /nfs/dbraw/zinc/47/74/54/388477454.db2.gz YCSWVKHJLAHDIS-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO CC[N@H+](Cc1csc(C(C)(C)C)n1)C(C)C ZINC000194092918 388476860 /nfs/dbraw/zinc/47/68/60/388476860.db2.gz URRLURSZXVKOER-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC[N@H+](Cc1ncc(-c2ccccc2)o1)C(C)C ZINC000194093397 388477640 /nfs/dbraw/zinc/47/76/40/388477640.db2.gz PWVYOASVFGBOJC-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO CC[N@H+](Cc1ccc(SC)cc1)C(C)C ZINC000194093669 347413667 /nfs/dbraw/zinc/41/36/67/347413667.db2.gz WPULZMIPOSKJBB-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO CC[N@H+](Cc1coc(-c2ccccc2)n1)C(C)C ZINC000194094418 388477672 /nfs/dbraw/zinc/47/76/72/388477672.db2.gz GQHIASXLRZSQLS-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO CCCCc1nc(C[N@H+](CC)C(C)C)cs1 ZINC000194095580 388722364 /nfs/dbraw/zinc/72/23/64/388722364.db2.gz UOSGBQYHSVKPEQ-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CC[N@H+](Cc1ccc(OC(F)F)cc1)C(C)C ZINC000194113287 388724256 /nfs/dbraw/zinc/72/42/56/388724256.db2.gz OHODNKMFORNDRU-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(OC)c1F ZINC000194116456 487525927 /nfs/dbraw/zinc/52/59/27/487525927.db2.gz UAVZBVGZJKWTBV-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000194157803 367260499 /nfs/dbraw/zinc/26/04/99/367260499.db2.gz UYVIQJQWMBTRCZ-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000194157817 367260524 /nfs/dbraw/zinc/26/05/24/367260524.db2.gz UYVIQJQWMBTRCZ-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCOCCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194232958 170369821 /nfs/dbraw/zinc/36/98/21/170369821.db2.gz YAVVWQDFSLCDHR-OAHLLOKOSA-N 1 0 249.398 3.587 20 0 BHADRO CCOCCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000194232971 170369609 /nfs/dbraw/zinc/36/96/09/170369609.db2.gz YAVVWQDFSLCDHR-HNNXBMFYSA-N 1 0 249.398 3.587 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C1CCSCC1 ZINC000194250710 206004376 /nfs/dbraw/zinc/00/43/76/206004376.db2.gz DLGVGNHVCFZECH-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000194252145 388728042 /nfs/dbraw/zinc/72/80/42/388728042.db2.gz MOUWECWBXRGDTQ-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000194252156 388728030 /nfs/dbraw/zinc/72/80/30/388728030.db2.gz MOUWECWBXRGDTQ-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000194294898 367274407 /nfs/dbraw/zinc/27/44/07/367274407.db2.gz NALXBIIELCEWEE-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000194294913 367274148 /nfs/dbraw/zinc/27/41/48/367274148.db2.gz NALXBIIELCEWEE-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[N@@H+](Cc1sccc1Cl)CC1CCC1 ZINC000194295011 367274950 /nfs/dbraw/zinc/27/49/50/367274950.db2.gz MTRXKAIAHMLBOY-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[N@@H+](Cc1cc(Cl)cs1)CC1CCC1 ZINC000194295029 388729007 /nfs/dbraw/zinc/72/90/07/388729007.db2.gz AZHCXBHHMSBRHJ-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO COCCCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000194297943 174183052 /nfs/dbraw/zinc/18/30/52/174183052.db2.gz URPMAFLHFZPQDC-HNNXBMFYSA-N 1 0 249.398 3.587 20 0 BHADRO COCCCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194297959 174182774 /nfs/dbraw/zinc/18/27/74/174182774.db2.gz URPMAFLHFZPQDC-OAHLLOKOSA-N 1 0 249.398 3.587 20 0 BHADRO CCCC[N@H+](C)Cc1sccc1Cl ZINC000194299846 206087052 /nfs/dbraw/zinc/08/70/52/206087052.db2.gz ISFSWHPXXDQFGD-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CCCC[N@H+](C)Cc1cc(Cl)cs1 ZINC000194299866 206088307 /nfs/dbraw/zinc/08/83/07/206088307.db2.gz ODQNPHDVKIDRPJ-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000194315932 367278852 /nfs/dbraw/zinc/27/88/52/367278852.db2.gz KBUPJYKCJFOPLI-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC000194315949 367278250 /nfs/dbraw/zinc/27/82/50/367278250.db2.gz KBUPJYKCJFOPLI-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[N@H+](Cc1sccc1Cl)C1CCCC1 ZINC000194316960 367278062 /nfs/dbraw/zinc/27/80/62/367278062.db2.gz UOPDNONWTQJCTR-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[N@H+](Cc1cc(Cl)cs1)C1CCCC1 ZINC000194316981 388728752 /nfs/dbraw/zinc/72/87/52/388728752.db2.gz VRNVFWRMGLNHBY-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CC[N@H+](Cc1sccc1Cl)C(C)C ZINC000194323010 206089184 /nfs/dbraw/zinc/08/91/84/206089184.db2.gz UVVQFNNQEADLMV-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CC[N@H+](Cc1cc(Cl)cs1)C(C)C ZINC000194323028 386583501 /nfs/dbraw/zinc/58/35/01/386583501.db2.gz MEXGMKTUEAQCTE-UHFFFAOYSA-N 1 0 217.765 3.632 20 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ZINC000194334645 388729272 /nfs/dbraw/zinc/72/92/72/388729272.db2.gz HQXKHPCFCSXDSM-QMMMGPOBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)cs1 ZINC000194334659 388730109 /nfs/dbraw/zinc/73/01/09/388730109.db2.gz HQXKHPCFCSXDSM-MRVPVSSYSA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[N@H+](Cc1sccc1Cl)C1CC1 ZINC000194336702 367280056 /nfs/dbraw/zinc/28/00/56/367280056.db2.gz YKTPZSDCCYBMLX-UHFFFAOYSA-N 1 0 229.776 3.774 20 0 BHADRO CC(C)[N@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000194336721 388729820 /nfs/dbraw/zinc/72/98/20/388729820.db2.gz GNEFTAWUIGTVRL-UHFFFAOYSA-N 1 0 229.776 3.774 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccco2)c(C)s1 ZINC000194363156 388730924 /nfs/dbraw/zinc/73/09/24/388730924.db2.gz ASSWJWKKSVAJLZ-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CC2)c(C)s1 ZINC000194373985 387403017 /nfs/dbraw/zinc/40/30/17/387403017.db2.gz BWNGPCZIJQJHSV-UHFFFAOYSA-N 1 0 223.385 3.738 20 0 BHADRO Clc1ccsc1CN1Cc2ccccc2C1 ZINC000194382131 388730967 /nfs/dbraw/zinc/73/09/67/388730967.db2.gz FEFHCTLFPHOJTM-UHFFFAOYSA-N 1 0 249.766 3.917 20 0 BHADRO Clc1csc(CN2Cc3ccccc3C2)c1 ZINC000194382147 388730561 /nfs/dbraw/zinc/73/05/61/388730561.db2.gz PQPMMEUORXMLHC-UHFFFAOYSA-N 1 0 249.766 3.917 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccoc2C)c(C)s1 ZINC000194394989 387878728 /nfs/dbraw/zinc/87/87/28/387878728.db2.gz KEGNTDXNXKGJDF-UHFFFAOYSA-N 1 0 249.379 3.898 20 0 BHADRO CC[N@@H+](Cc1sccc1Cl)CC1CC1 ZINC000194396473 367284469 /nfs/dbraw/zinc/28/44/69/367284469.db2.gz ZUOMDNYNDQVOOY-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC[N@@H+](Cc1cc(Cl)cs1)CC1CC1 ZINC000194396495 388732130 /nfs/dbraw/zinc/73/21/30/388732130.db2.gz QGSUKKYRTXUNRD-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO Clc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000194400613 388732319 /nfs/dbraw/zinc/73/23/19/388732319.db2.gz SRSKCKLUMNCDNM-AOOOYVTPSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1ccsc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000194400626 388731483 /nfs/dbraw/zinc/73/14/83/388731483.db2.gz SRSKCKLUMNCDNM-NXEZZACHSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1ccsc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000194400641 388731654 /nfs/dbraw/zinc/73/16/54/388731654.db2.gz SRSKCKLUMNCDNM-UWVGGRQHSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1csc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000194400677 388731761 /nfs/dbraw/zinc/73/17/61/388731761.db2.gz GHROKBNUBSJKDD-AOOOYVTPSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1csc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000194400694 388731958 /nfs/dbraw/zinc/73/19/58/388731958.db2.gz GHROKBNUBSJKDD-NXEZZACHSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1csc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000194400705 388731611 /nfs/dbraw/zinc/73/16/11/388731611.db2.gz GHROKBNUBSJKDD-UWVGGRQHSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCC2(CCC2)C1 ZINC000194401331 367283751 /nfs/dbraw/zinc/28/37/51/367283751.db2.gz VKGRBKGIXTYINU-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Clc1csc(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000194401351 388732233 /nfs/dbraw/zinc/73/22/33/388732233.db2.gz ZVVQINKDMUUNGC-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2CC2)c(C)s1 ZINC000194432855 347540328 /nfs/dbraw/zinc/54/03/28/347540328.db2.gz GEROFNCCQMWLKD-JTQLQIEISA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2CC2)c(C)s1 ZINC000194432873 347540303 /nfs/dbraw/zinc/54/03/03/347540303.db2.gz GEROFNCCQMWLKD-SNVBAGLBSA-N 1 0 223.385 3.595 20 0 BHADRO C[N@H+](CCC1CC1)Cc1sccc1Cl ZINC000194436070 367292430 /nfs/dbraw/zinc/29/24/30/367292430.db2.gz UGWSDIOSKRXPAB-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc(Cl)cs1 ZINC000194436085 259620821 /nfs/dbraw/zinc/62/08/21/259620821.db2.gz WZMQEHHEFCSRIM-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194474712 634317391 /nfs/dbraw/zinc/31/73/91/634317391.db2.gz XTNBQKRDKHBBQV-HNNXBMFYSA-N 1 0 245.366 3.512 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194474728 644321265 /nfs/dbraw/zinc/32/12/65/644321265.db2.gz XTNBQKRDKHBBQV-OAHLLOKOSA-N 1 0 245.366 3.512 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCCC2(CC2)C1 ZINC000194490590 367299357 /nfs/dbraw/zinc/29/93/57/367299357.db2.gz HPMVZKDDCQIHRK-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Clc1csc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000194490613 206092590 /nfs/dbraw/zinc/09/25/90/206092590.db2.gz OQIBRGITHCOTTO-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO CCC1(C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194495172 206092577 /nfs/dbraw/zinc/09/25/77/206092577.db2.gz YTYIMBFJOJRQOO-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CCC1(C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194495185 385437187 /nfs/dbraw/zinc/43/71/87/385437187.db2.gz YTYIMBFJOJRQOO-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@@H](C[NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000194521817 534057424 /nfs/dbraw/zinc/05/74/24/534057424.db2.gz ZCWDVXKDWJPKKJ-ZDUSSCGKSA-N 1 0 229.367 3.570 20 0 BHADRO C[C@H](C[NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000194521832 229163625 /nfs/dbraw/zinc/16/36/25/229163625.db2.gz ZCWDVXKDWJPKKJ-CYBMUJFWSA-N 1 0 229.367 3.570 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194615283 353677639 /nfs/dbraw/zinc/67/76/39/353677639.db2.gz JUVILBZRGOKDOI-OAHLLOKOSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)OCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000194615297 353677416 /nfs/dbraw/zinc/67/74/16/353677416.db2.gz JUVILBZRGOKDOI-HNNXBMFYSA-N 1 0 249.398 3.585 20 0 BHADRO C1=CO[C@H](C[NH2+]CCC2=CCCCCC2)CC1 ZINC000194703919 634331428 /nfs/dbraw/zinc/33/14/28/634331428.db2.gz GPPUKTOMPFAXMF-HNNXBMFYSA-N 1 0 235.371 3.549 20 0 BHADRO C1=CO[C@@H](C[NH2+]CCC2=CCCCCC2)CC1 ZINC000194703935 634331167 /nfs/dbraw/zinc/33/11/67/634331167.db2.gz GPPUKTOMPFAXMF-OAHLLOKOSA-N 1 0 235.371 3.549 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000194830688 206110875 /nfs/dbraw/zinc/11/08/75/206110875.db2.gz RZYLTTDJCSGVBY-NSHDSACASA-N 1 0 223.385 3.715 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000194830701 206111077 /nfs/dbraw/zinc/11/10/77/206111077.db2.gz RZYLTTDJCSGVBY-LLVKDONJSA-N 1 0 223.385 3.715 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccccc1SC ZINC000194830822 206111479 /nfs/dbraw/zinc/11/14/79/206111479.db2.gz BGMFWIGZDPBRCU-NSHDSACASA-N 1 0 223.385 3.859 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccccc1SC ZINC000194830834 206110846 /nfs/dbraw/zinc/11/08/46/206110846.db2.gz BGMFWIGZDPBRCU-LLVKDONJSA-N 1 0 223.385 3.859 20 0 BHADRO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCCC1 ZINC000194831156 367323797 /nfs/dbraw/zinc/32/37/97/367323797.db2.gz WMMYXEJKEBNHFN-HNNXBMFYSA-N 1 0 245.366 3.605 20 0 BHADRO COc1cccc2c1CCC[C@H]2[NH2+]C1CCCC1 ZINC000194831166 367323777 /nfs/dbraw/zinc/32/37/77/367323777.db2.gz WMMYXEJKEBNHFN-OAHLLOKOSA-N 1 0 245.366 3.605 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccco1 ZINC000194831721 385449700 /nfs/dbraw/zinc/44/97/00/385449700.db2.gz UYYPIIBTWWXTMM-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000194831916 206110960 /nfs/dbraw/zinc/11/09/60/206110960.db2.gz HPNFBJYVQVYPSP-MNOVXSKESA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000194831933 206111185 /nfs/dbraw/zinc/11/11/85/206111185.db2.gz HPNFBJYVQVYPSP-QWRGUYRKSA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000194831947 206110814 /nfs/dbraw/zinc/11/08/14/206110814.db2.gz HPNFBJYVQVYPSP-GHMZBOCLSA-N 1 0 223.385 3.858 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000194831959 206111203 /nfs/dbraw/zinc/11/12/03/206111203.db2.gz HPNFBJYVQVYPSP-WDEREUQCSA-N 1 0 223.385 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000194836294 206111368 /nfs/dbraw/zinc/11/13/68/206111368.db2.gz CAKBTFZYKZDKKS-QWRGUYRKSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000194836307 206111152 /nfs/dbraw/zinc/11/11/52/206111152.db2.gz CAKBTFZYKZDKKS-WDEREUQCSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000194836315 206110951 /nfs/dbraw/zinc/11/09/51/206110951.db2.gz CAKBTFZYKZDKKS-MNOVXSKESA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000194836330 206111134 /nfs/dbraw/zinc/11/11/34/206111134.db2.gz CAKBTFZYKZDKKS-GHMZBOCLSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccoc1 ZINC000194861512 206111833 /nfs/dbraw/zinc/11/18/33/206111833.db2.gz RYNLFHWYQMGJLI-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccoc1 ZINC000194861524 206112217 /nfs/dbraw/zinc/11/22/17/206112217.db2.gz RYNLFHWYQMGJLI-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO COc1cccc(C2CC[NH+](CC(C)C)CC2)c1 ZINC000194875205 388745011 /nfs/dbraw/zinc/74/50/11/388745011.db2.gz AMXDNNFRCWNFNN-UHFFFAOYSA-N 1 0 247.382 3.531 20 0 BHADRO C[C@H](C[N@@H+]1CCSCC[C@H]1C)c1ccccc1 ZINC000194887744 206113530 /nfs/dbraw/zinc/11/35/30/206113530.db2.gz AHFMWLODTDHYNN-ZIAGYGMSSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](C[N@@H+]1CCSCC[C@@H]1C)c1ccccc1 ZINC000194887763 206113489 /nfs/dbraw/zinc/11/34/89/206113489.db2.gz AHFMWLODTDHYNN-KGLIPLIRSA-N 1 0 249.423 3.618 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000194924825 644351511 /nfs/dbraw/zinc/35/15/11/644351511.db2.gz HMRXUJUGQBVDQD-UHFFFAOYSA-N 1 0 245.338 3.842 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CCC1CC1 ZINC000194928276 206113567 /nfs/dbraw/zinc/11/35/67/206113567.db2.gz RRAGKKNOLPQAAT-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000194928291 206113400 /nfs/dbraw/zinc/11/34/00/206113400.db2.gz RRAGKKNOLPQAAT-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(O)c1 ZINC000194936063 206114076 /nfs/dbraw/zinc/11/40/76/206114076.db2.gz XRDVXHJYYABOKI-LBPRGKRZSA-N 1 0 245.366 3.623 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(O)c1 ZINC000194936073 206114278 /nfs/dbraw/zinc/11/42/78/206114278.db2.gz XRDVXHJYYABOKI-GFCCVEGCSA-N 1 0 245.366 3.623 20 0 BHADRO C(CSC1CCCCC1)C[NH+]1CCCC1 ZINC000194967191 206113898 /nfs/dbraw/zinc/11/38/98/206113898.db2.gz BCFHXBCFUSTAET-UHFFFAOYSA-N 1 0 227.417 3.538 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccco2)c(C)c1 ZINC000194986052 367328477 /nfs/dbraw/zinc/32/84/77/367328477.db2.gz UYKZNIQYCKEFAS-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000194986612 367327506 /nfs/dbraw/zinc/32/75/06/367327506.db2.gz SUPJPSWZCBZGKS-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccco1 ZINC000194986622 367328655 /nfs/dbraw/zinc/32/86/55/367328655.db2.gz SUPJPSWZCBZGKS-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCc1ccccc1F ZINC000195007205 367331935 /nfs/dbraw/zinc/33/19/35/367331935.db2.gz ALKKHBJGCUJGCH-LBPRGKRZSA-N 1 0 247.313 3.654 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCc1ccccc1F ZINC000195007216 367331197 /nfs/dbraw/zinc/33/11/97/367331197.db2.gz ALKKHBJGCUJGCH-GFCCVEGCSA-N 1 0 247.313 3.654 20 0 BHADRO CCC[N@H+](CCc1cccs1)Cc1ccco1 ZINC000195007904 367331642 /nfs/dbraw/zinc/33/16/42/367331642.db2.gz LDZXOXRHAQCUHW-UHFFFAOYSA-N 1 0 249.379 3.796 20 0 BHADRO CCC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000195013515 388692930 /nfs/dbraw/zinc/69/29/30/388692930.db2.gz WVWCCRZJAFRUHO-UHFFFAOYSA-N 1 0 248.757 3.730 20 0 BHADRO CCC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000195016192 388694334 /nfs/dbraw/zinc/69/43/34/388694334.db2.gz TVAFYUCXDIDLGB-UHFFFAOYSA-N 1 0 246.379 3.652 20 0 BHADRO CC[N@H+](Cc1cc(C)sc1C)C(C)C ZINC000195028236 388693847 /nfs/dbraw/zinc/69/38/47/388693847.db2.gz CTLVIWKMNSEFCT-UHFFFAOYSA-N 1 0 211.374 3.595 20 0 BHADRO CC(C)[N@@H+](Cc1ccsc1)CC1CCC1 ZINC000195080780 388097289 /nfs/dbraw/zinc/09/72/89/388097289.db2.gz AXNHYAKAHHWNQN-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000195121406 634349996 /nfs/dbraw/zinc/34/99/96/634349996.db2.gz TWCYKAHXQJSSOU-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000195121417 644362929 /nfs/dbraw/zinc/36/29/29/644362929.db2.gz TWCYKAHXQJSSOU-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000195121427 634350130 /nfs/dbraw/zinc/35/01/30/634350130.db2.gz TWCYKAHXQJSSOU-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195121439 634349761 /nfs/dbraw/zinc/34/97/61/634349761.db2.gz TWCYKAHXQJSSOU-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000195132417 367342752 /nfs/dbraw/zinc/34/27/52/367342752.db2.gz AHDKBNRBXROTTB-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000195132429 367342123 /nfs/dbraw/zinc/34/21/23/367342123.db2.gz AHDKBNRBXROTTB-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO CCCN(C)Cc1csc(C2CCCC2)n1 ZINC000195251525 388701938 /nfs/dbraw/zinc/70/19/38/388701938.db2.gz PZWKMYSJCVKPJO-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000195251885 490267155 /nfs/dbraw/zinc/26/71/55/490267155.db2.gz VISHCIDLAUMCEB-NSHDSACASA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000195251895 532959887 /nfs/dbraw/zinc/95/98/87/532959887.db2.gz VISHCIDLAUMCEB-LLVKDONJSA-N 1 0 235.396 3.687 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1(C)CC1 ZINC000195252000 367352261 /nfs/dbraw/zinc/35/22/61/367352261.db2.gz ZXAKHWVBNFRYQA-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1(C)CC1 ZINC000195252010 367351526 /nfs/dbraw/zinc/35/15/26/367351526.db2.gz ZXAKHWVBNFRYQA-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO c1ccc(C2([NH2+]C3CCSCC3)CCC2)cc1 ZINC000195264721 388703735 /nfs/dbraw/zinc/70/37/35/388703735.db2.gz JXQZCBUKEREUJJ-UHFFFAOYSA-N 1 0 247.407 3.551 20 0 BHADRO CC[N@H+](Cc1cccc(OC(F)F)c1)C(C)C ZINC000195310272 367353744 /nfs/dbraw/zinc/35/37/44/367353744.db2.gz IUUMZRHSNVASKL-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000195542712 388712459 /nfs/dbraw/zinc/71/24/59/388712459.db2.gz NFOIJWPNMQNSGS-OAHLLOKOSA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000195542713 388712831 /nfs/dbraw/zinc/71/28/31/388712831.db2.gz NFOIJWPNMQNSGS-HNNXBMFYSA-N 1 0 221.388 3.831 20 0 BHADRO COc1ccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)cc1 ZINC000195542855 388712803 /nfs/dbraw/zinc/71/28/03/388712803.db2.gz YHWMGNQPFRPYMQ-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO COc1ccc(C[N@H+]([C@H](C)C(C)C)C2CC2)cc1 ZINC000195542857 388712789 /nfs/dbraw/zinc/71/27/89/388712789.db2.gz YHWMGNQPFRPYMQ-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1CCCCCC1 ZINC000195560991 367369306 /nfs/dbraw/zinc/36/93/06/367369306.db2.gz KCIZWRPHSXYHBE-LBPRGKRZSA-N 1 0 221.319 3.763 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1CCCCCC1 ZINC000195560992 367368681 /nfs/dbraw/zinc/36/86/81/367368681.db2.gz KCIZWRPHSXYHBE-GFCCVEGCSA-N 1 0 221.319 3.763 20 0 BHADRO CC[N@H+](CCSC)Cc1ccccc1Cl ZINC000195569980 387322455 /nfs/dbraw/zinc/32/24/55/387322455.db2.gz CTKAKAHISFTNIF-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC1CC1 ZINC000195594401 388714891 /nfs/dbraw/zinc/71/48/91/388714891.db2.gz UGIWWXFYJCJSEM-VIFPVBQESA-N 1 0 241.737 3.882 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC1CC1 ZINC000195594402 388714435 /nfs/dbraw/zinc/71/44/35/388714435.db2.gz UGIWWXFYJCJSEM-SECBINFHSA-N 1 0 241.737 3.882 20 0 BHADRO Fc1ccc(C[N@H+](CC2CCCC2)C2CC2)cc1 ZINC000195599236 388714574 /nfs/dbraw/zinc/71/45/74/388714574.db2.gz ARQQJFRXTNRQPB-UHFFFAOYSA-N 1 0 247.357 3.980 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)CC2CCCC2)cc1 ZINC000195599288 388714951 /nfs/dbraw/zinc/71/49/51/388714951.db2.gz SMSHJBOSVJAOET-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)CC2CCCC2)cc1 ZINC000195599289 388714942 /nfs/dbraw/zinc/71/49/42/388714942.db2.gz SMSHJBOSVJAOET-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CC1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000195599495 388714724 /nfs/dbraw/zinc/71/47/24/388714724.db2.gz OVHIZKUUYLKJLU-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC[N@H+](CC1CCCC1)C1CCCCC1 ZINC000195600344 388716296 /nfs/dbraw/zinc/71/62/96/388716296.db2.gz GNKKLXULDZIXPY-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CC[N@H+](CCSC)Cc1cccc(Cl)c1 ZINC000195601324 387323351 /nfs/dbraw/zinc/32/33/51/387323351.db2.gz XXFPSIZQLRVGOV-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO CSCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000195653890 175494739 /nfs/dbraw/zinc/49/47/39/175494739.db2.gz KTMAMQJYMDYSBP-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO CCC[N@@H+](Cc1cc(F)ccc1F)CC1CC1 ZINC000195661815 367373245 /nfs/dbraw/zinc/37/32/45/367373245.db2.gz NRFWONGIQAPPJC-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCc1ccc(C[N@H+](CCSC)C2CC2)cc1 ZINC000195664551 367373852 /nfs/dbraw/zinc/37/38/52/367373852.db2.gz SSOJLAMYTJFURN-UHFFFAOYSA-N 1 0 249.423 3.576 20 0 BHADRO Fc1cccc(C[N@H+](CC2CCCC2)C2CC2)c1 ZINC000195667024 388544879 /nfs/dbraw/zinc/54/48/79/388544879.db2.gz JBCKBIMHQQSIJV-UHFFFAOYSA-N 1 0 247.357 3.980 20 0 BHADRO CCOc1ccccc1C[N@H+](C)CC1CCCC1 ZINC000195667144 388544922 /nfs/dbraw/zinc/54/49/22/388544922.db2.gz QHQKDHHTJYBPCQ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1cc(C[NH+]2CCCCCC2)c(C)s1 ZINC000195673615 259611924 /nfs/dbraw/zinc/61/19/24/259611924.db2.gz JBGWFLUNIGDZLA-UHFFFAOYSA-N 1 0 223.385 3.741 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000195673624 387924989 /nfs/dbraw/zinc/92/49/89/387924989.db2.gz RBWMDNNLQJTQJN-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000195673641 388718096 /nfs/dbraw/zinc/71/80/96/388718096.db2.gz GZJSYCHUZGVQHM-SNVBAGLBSA-N 1 0 223.385 3.597 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000195673642 388718214 /nfs/dbraw/zinc/71/82/14/388718214.db2.gz GZJSYCHUZGVQHM-JTQLQIEISA-N 1 0 223.385 3.597 20 0 BHADRO Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)s1 ZINC000195673649 134845205 /nfs/dbraw/zinc/84/52/05/134845205.db2.gz QLQHACPTJNDFOQ-PHIMTYICSA-N 1 0 237.412 3.843 20 0 BHADRO Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)s1 ZINC000195673650 387923988 /nfs/dbraw/zinc/92/39/88/387923988.db2.gz QLQHACPTJNDFOQ-GHMZBOCLSA-N 1 0 237.412 3.843 20 0 BHADRO Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)s1 ZINC000195673651 387925693 /nfs/dbraw/zinc/92/56/93/387925693.db2.gz QLQHACPTJNDFOQ-QWRGUYRKSA-N 1 0 237.412 3.843 20 0 BHADRO CCCC[N@H+](C)Cc1cc(C)sc1C ZINC000195673652 388718634 /nfs/dbraw/zinc/71/86/34/388718634.db2.gz PXGGJSZEUBZXDI-UHFFFAOYSA-N 1 0 211.374 3.597 20 0 BHADRO Cc1cc(C[NH+]2CCC(C)CC2)c(C)s1 ZINC000195673660 388718813 /nfs/dbraw/zinc/71/88/13/388718813.db2.gz JZHLQUIFDQTVPX-UHFFFAOYSA-N 1 0 223.385 3.597 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@@H]2C)c(C)s1 ZINC000195673662 388718526 /nfs/dbraw/zinc/71/85/26/388718526.db2.gz LTOWUNKDRFPZPQ-JTQLQIEISA-N 1 0 223.385 3.739 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@H]2C)c(C)s1 ZINC000195673664 388718514 /nfs/dbraw/zinc/71/85/14/388718514.db2.gz LTOWUNKDRFPZPQ-SNVBAGLBSA-N 1 0 223.385 3.739 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCCC2)c(C)s1 ZINC000195673893 387321239 /nfs/dbraw/zinc/32/12/39/387321239.db2.gz ZPJFBXPRSDHYDV-UHFFFAOYSA-N 1 0 223.385 3.739 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C)sc1C ZINC000195674166 386691351 /nfs/dbraw/zinc/69/13/51/386691351.db2.gz JCQSWQIEEAAZBU-UHFFFAOYSA-N 1 0 225.401 3.987 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C)sc1C ZINC000195674168 367375128 /nfs/dbraw/zinc/37/51/28/367375128.db2.gz OWSJNOTYYJXLSN-UHFFFAOYSA-N 1 0 225.401 3.987 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000195674259 387924531 /nfs/dbraw/zinc/92/45/31/387924531.db2.gz FTFSJXRKDCIXKB-CYBMUJFWSA-N 1 0 237.412 3.987 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000195674261 387924782 /nfs/dbraw/zinc/92/47/82/387924782.db2.gz FTFSJXRKDCIXKB-ZDUSSCGKSA-N 1 0 237.412 3.987 20 0 BHADRO CCC[N@@H+](Cc1cc(C)sc1C)CC1CC1 ZINC000195686751 388719776 /nfs/dbraw/zinc/71/97/76/388719776.db2.gz MJWMMVUQQZZKEE-UHFFFAOYSA-N 1 0 237.412 3.987 20 0 BHADRO Cc1cc(C)c(C[N@@H+](C)C2CCCC2)c(C)c1 ZINC000195689412 386692518 /nfs/dbraw/zinc/69/25/18/386692518.db2.gz KAZXSSAJIPGKGR-UHFFFAOYSA-N 1 0 231.383 3.986 20 0 BHADRO Fc1cccc(Cl)c1CC[NH+]1CCCCC1 ZINC000195718756 367378517 /nfs/dbraw/zinc/37/85/17/367378517.db2.gz MYKIDPDFDNMPCR-UHFFFAOYSA-N 1 0 241.737 3.508 20 0 BHADRO Cc1ccccc1OCCC[N@@H+](C)C1CCCC1 ZINC000195718793 388719453 /nfs/dbraw/zinc/71/94/53/388719453.db2.gz OOYHEAKRPXWWDW-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1F)C1CCCCC1 ZINC000195731090 386619294 /nfs/dbraw/zinc/61/92/94/386619294.db2.gz UFFWVDIWWVSOPM-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO COCCC[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000195732483 367378017 /nfs/dbraw/zinc/37/80/17/367378017.db2.gz DSPSLOCQVIQJGD-AWEZNQCLSA-N 1 0 249.398 3.839 20 0 BHADRO COCCC[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000195732484 345291220 /nfs/dbraw/zinc/29/12/20/345291220.db2.gz DSPSLOCQVIQJGD-CQSZACIVSA-N 1 0 249.398 3.839 20 0 BHADRO CC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000195733031 345292722 /nfs/dbraw/zinc/29/27/22/345292722.db2.gz JKJGEPQBIDKTTD-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(F)cc1F ZINC000195733052 388720995 /nfs/dbraw/zinc/72/09/95/388720995.db2.gz MQAWSBIVDBWOEA-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO C[N@@H+](Cc1cc(F)ccc1F)CC1CCCC1 ZINC000195734983 388720315 /nfs/dbraw/zinc/72/03/15/388720315.db2.gz YJLGHTVQCNMIFC-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1cc(C[N@H+](C)CC2CCCC2)c(C)s1 ZINC000195734990 388720955 /nfs/dbraw/zinc/72/09/55/388720955.db2.gz VNEXKQWIUXJJRV-UHFFFAOYSA-N 1 0 237.412 3.987 20 0 BHADRO COc1cccc([C@@H](C)[N@H+](C)CC2CCCC2)c1 ZINC000195736671 367379610 /nfs/dbraw/zinc/37/96/10/367379610.db2.gz INSMHCRHGVMCDV-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H](C)[N@H+](C)CC2CCCC2)c1 ZINC000195736672 367379660 /nfs/dbraw/zinc/37/96/60/367379660.db2.gz INSMHCRHGVMCDV-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccsc1 ZINC000195746895 533520973 /nfs/dbraw/zinc/52/09/73/533520973.db2.gz ASGLNDRVHUKWMY-NQBHXWOUSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccsc1 ZINC000195746896 224909601 /nfs/dbraw/zinc/90/96/01/224909601.db2.gz ASGLNDRVHUKWMY-WZRBSPASSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)=CC[NH+]1CCC(c2ccccc2)CC1 ZINC000196015286 398161314 /nfs/dbraw/zinc/16/13/14/398161314.db2.gz GMARUEYRXXPTNQ-UHFFFAOYSA-N 1 0 229.367 3.832 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)C[Si](C)(C)C ZINC000196140792 643639334 /nfs/dbraw/zinc/63/93/34/643639334.db2.gz VKUVMCMMQMEPSE-LBPRGKRZSA-N 1 0 221.420 3.557 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)C[Si](C)(C)C ZINC000196140799 643638796 /nfs/dbraw/zinc/63/87/96/643638796.db2.gz VKUVMCMMQMEPSE-GFCCVEGCSA-N 1 0 221.420 3.557 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000196158846 347486332 /nfs/dbraw/zinc/48/63/32/347486332.db2.gz HTGNKSIVCXAOFC-CYBMUJFWSA-N 1 0 225.335 3.824 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000196158854 345723850 /nfs/dbraw/zinc/72/38/50/345723850.db2.gz HTGNKSIVCXAOFC-ZDUSSCGKSA-N 1 0 225.335 3.824 20 0 BHADRO Brc1cccc(Nc2cc[nH+]cc2)c1 ZINC000196249950 166101619 /nfs/dbraw/zinc/10/16/19/166101619.db2.gz OCYTYVWPCGOIPK-UHFFFAOYSA-N 1 0 249.111 3.588 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000196618141 644417187 /nfs/dbraw/zinc/41/71/87/644417187.db2.gz ACQFESSEMZPDCR-LLVKDONJSA-N 1 0 239.460 3.762 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000196618152 644416921 /nfs/dbraw/zinc/41/69/21/644416921.db2.gz ACQFESSEMZPDCR-NSHDSACASA-N 1 0 239.460 3.762 20 0 BHADRO c1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000196726804 345724511 /nfs/dbraw/zinc/72/45/11/345724511.db2.gz ICKOMJVGEFAAMI-UHFFFAOYSA-N 1 0 229.367 3.843 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000196758569 346858046 /nfs/dbraw/zinc/85/80/46/346858046.db2.gz NDINNXYWWQGITH-SECBINFHSA-N 1 0 244.165 3.978 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000196758577 345724617 /nfs/dbraw/zinc/72/46/17/345724617.db2.gz NDINNXYWWQGITH-VIFPVBQESA-N 1 0 244.165 3.978 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000196758700 347519265 /nfs/dbraw/zinc/51/92/65/347519265.db2.gz HTDDKXBBASEIBP-SNVBAGLBSA-N 1 0 243.272 3.690 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000196758709 347519245 /nfs/dbraw/zinc/51/92/45/347519245.db2.gz HTDDKXBBASEIBP-JTQLQIEISA-N 1 0 243.272 3.690 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC000196989610 397937715 /nfs/dbraw/zinc/93/77/15/397937715.db2.gz JCLUELDJQJMILQ-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC000196989622 397937622 /nfs/dbraw/zinc/93/76/22/397937622.db2.gz JCLUELDJQJMILQ-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000197044714 345725318 /nfs/dbraw/zinc/72/53/18/345725318.db2.gz FMUPSHGPUSYEJO-CYBMUJFWSA-N 1 0 225.335 3.682 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000197044729 345725399 /nfs/dbraw/zinc/72/53/99/345725399.db2.gz FMUPSHGPUSYEJO-ZDUSSCGKSA-N 1 0 225.335 3.682 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000197044747 345725256 /nfs/dbraw/zinc/72/52/56/345725256.db2.gz DWAMIHPMQLWFFW-CYBMUJFWSA-N 1 0 225.335 3.682 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000197044757 345725690 /nfs/dbraw/zinc/72/56/90/345725690.db2.gz DWAMIHPMQLWFFW-ZDUSSCGKSA-N 1 0 225.335 3.682 20 0 BHADRO c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1 ZINC000197217354 643670875 /nfs/dbraw/zinc/67/08/75/643670875.db2.gz AJFZWFBOFUTXOG-UHFFFAOYSA-N 1 0 237.346 3.949 20 0 BHADRO CC(C)CCC[NH+]1CCC(c2ccccn2)CC1 ZINC000197222296 539012378 /nfs/dbraw/zinc/01/23/78/539012378.db2.gz MWJMYCZKNCRLTL-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1)C(C)C ZINC000197680886 490118275 /nfs/dbraw/zinc/11/82/75/490118275.db2.gz PCIHHFVXFCFJKC-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000197743390 345725370 /nfs/dbraw/zinc/72/53/70/345725370.db2.gz VHUKJWWPODGGCF-UHFFFAOYSA-N 1 0 217.356 3.699 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000197834394 345725666 /nfs/dbraw/zinc/72/56/66/345725666.db2.gz SBVRHTSYDZOWQG-KBMXLJTQSA-N 1 0 229.367 3.840 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000197834416 345725708 /nfs/dbraw/zinc/72/57/08/345725708.db2.gz SBVRHTSYDZOWQG-BMFZPTHFSA-N 1 0 229.367 3.840 20 0 BHADRO C[N@H+](CCCc1ccccc1)CCC(C)(C)C ZINC000197860321 398021108 /nfs/dbraw/zinc/02/11/08/398021108.db2.gz WDRCGIUKZCNJSD-UHFFFAOYSA-N 1 0 233.399 3.987 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000197893170 398024516 /nfs/dbraw/zinc/02/45/16/398024516.db2.gz HKERJWCPYOOQID-CQSZACIVSA-N 1 0 217.356 3.699 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000197893176 398024179 /nfs/dbraw/zinc/02/41/79/398024179.db2.gz HKERJWCPYOOQID-AWEZNQCLSA-N 1 0 217.356 3.699 20 0 BHADRO CCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000197964708 345725265 /nfs/dbraw/zinc/72/52/65/345725265.db2.gz FJSWZJIFEUQZJM-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO CCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000197964711 345725178 /nfs/dbraw/zinc/72/51/78/345725178.db2.gz FJSWZJIFEUQZJM-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO CC(C)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000198000548 345725481 /nfs/dbraw/zinc/72/54/81/345725481.db2.gz CYVVKXLTQUWZBS-UHFFFAOYSA-N 1 0 237.774 3.928 20 0 BHADRO CC(C)C[N@H+](CCc1ccccc1)C(C)C ZINC000198048993 347607548 /nfs/dbraw/zinc/60/75/48/347607548.db2.gz GQAINXIYRGHRML-UHFFFAOYSA-N 1 0 219.372 3.596 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1Cc2ccccc2C1 ZINC000198910825 345727601 /nfs/dbraw/zinc/72/76/01/345727601.db2.gz OMTJCLULKGYANB-TWGQIWQCSA-N 1 0 235.330 3.716 20 0 BHADRO CCc1ccc(OCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000198917339 634447813 /nfs/dbraw/zinc/44/78/13/634447813.db2.gz RSKJDFIAXFPQCY-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CCc1ccc(OCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000198917353 634447578 /nfs/dbraw/zinc/44/75/78/634447578.db2.gz RSKJDFIAXFPQCY-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO C/C=C/C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000199049733 397933652 /nfs/dbraw/zinc/93/36/52/397933652.db2.gz ZSJHPHPCTZZTDF-NSCUHMNNSA-N 1 0 237.346 3.942 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccco1 ZINC000199339698 345727213 /nfs/dbraw/zinc/72/72/13/345727213.db2.gz JYLIUNAFZIPFJL-UHFFFAOYSA-N 1 0 209.333 3.682 20 0 BHADRO c1ccc(CSCCC[NH+]2CCCCC2)cc1 ZINC000199387697 345727353 /nfs/dbraw/zinc/72/73/53/345727353.db2.gz UTCOOIGIGCLMLR-UHFFFAOYSA-N 1 0 249.423 3.796 20 0 BHADRO CCCC[NH+](CCCC)CCCSC ZINC000199643425 346552022 /nfs/dbraw/zinc/55/20/22/346552022.db2.gz AHVCUFTYCNZNDT-UHFFFAOYSA-N 1 0 217.422 3.642 20 0 BHADRO CCCC[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000199833301 644498667 /nfs/dbraw/zinc/49/86/67/644498667.db2.gz RQDWHGFFYJIKKR-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000200217246 369354842 /nfs/dbraw/zinc/35/48/42/369354842.db2.gz IMFUPSDSIIASKV-HNNXBMFYSA-N 1 0 217.356 3.760 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCCO1 ZINC000200369214 345728167 /nfs/dbraw/zinc/72/81/67/345728167.db2.gz YXHHQFMGIPCHRA-HNNXBMFYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)C[C@H]1CCCO1 ZINC000200369244 345728077 /nfs/dbraw/zinc/72/80/77/345728077.db2.gz YXHHQFMGIPCHRA-OAHLLOKOSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(C)cc1 ZINC000200558977 538110243 /nfs/dbraw/zinc/11/02/43/538110243.db2.gz KUVGRRACLPHRMB-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc2ccccc21 ZINC000200861675 347777741 /nfs/dbraw/zinc/77/77/41/347777741.db2.gz RVVHSXFRXCOKPP-UHFFFAOYSA-N 1 0 227.351 3.928 20 0 BHADRO CC(C)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000200870253 347852945 /nfs/dbraw/zinc/85/29/45/347852945.db2.gz AWPIBSOHMGXFLK-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC000200985972 345729157 /nfs/dbraw/zinc/72/91/57/345729157.db2.gz QMDMJMWOYAJKRN-OAHLLOKOSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC000200985998 347864356 /nfs/dbraw/zinc/86/43/56/347864356.db2.gz QMDMJMWOYAJKRN-HNNXBMFYSA-N 1 0 246.398 3.730 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000201186232 342799785 /nfs/dbraw/zinc/79/97/85/342799785.db2.gz UYVZOXCMXNZTPP-AWEZNQCLSA-N 1 0 217.356 3.617 20 0 BHADRO CCSc1cccc(C[NH+]2CCCCC2)c1 ZINC000201266185 345729517 /nfs/dbraw/zinc/72/95/17/345729517.db2.gz QVHDQJVGZNYCDP-UHFFFAOYSA-N 1 0 235.396 3.785 20 0 BHADRO CC(C)C[NH+]1CCC2(CCCCC2)CC1 ZINC000201341878 369386677 /nfs/dbraw/zinc/38/66/77/369386677.db2.gz QGXONKDDAVSPES-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000201485296 541501348 /nfs/dbraw/zinc/50/13/48/541501348.db2.gz ZKQHOZAGNGYDOV-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(C)(C)C)cc1 ZINC000201665479 345729918 /nfs/dbraw/zinc/72/99/18/345729918.db2.gz SRXSPAATCTXQAX-UHFFFAOYSA-N 1 0 219.372 3.826 20 0 BHADRO Cc1ccc(C(C)(C)C[N@@H+](C)C(C)C)cc1 ZINC000201945933 356453389 /nfs/dbraw/zinc/45/33/89/356453389.db2.gz KXTGCIYPFAUHPF-UHFFFAOYSA-N 1 0 219.372 3.613 20 0 BHADRO Cc1ccc(C(C)(C)C[N@@H+](C)C2CCC2)cc1 ZINC000201954309 349300081 /nfs/dbraw/zinc/30/00/81/349300081.db2.gz BCWYBQIRMDGWML-UHFFFAOYSA-N 1 0 231.383 3.757 20 0 BHADRO CC(C)(C)CC[NH+](CC1CC1)CC1CC1 ZINC000202015232 345730606 /nfs/dbraw/zinc/73/06/06/345730606.db2.gz UGBRVHVUJOMQAY-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO CCC[NH+](CCC)Cc1cccc(C)c1 ZINC000202159076 345730271 /nfs/dbraw/zinc/73/02/71/345730271.db2.gz IJGKNKSVTJNMKP-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CC(C)(C)c1ccc(C[NH+]2CCCC2)s1 ZINC000202161674 343053816 /nfs/dbraw/zinc/05/38/16/343053816.db2.gz HKBPBYIYJYMWBS-UHFFFAOYSA-N 1 0 223.385 3.641 20 0 BHADRO CC(C)c1cccc2c1CC[N@@H+](C(C)C)C2 ZINC000202302608 346003291 /nfs/dbraw/zinc/00/32/91/346003291.db2.gz MOKQNCGUOMJTEY-UHFFFAOYSA-N 1 0 217.356 3.577 20 0 BHADRO Cc1cc(N[C@H](C)CC(C)C)nc(C2CC2)n1 ZINC000202459869 348020090 /nfs/dbraw/zinc/02/00/90/348020090.db2.gz XHCDKRGFLPMGFC-SNVBAGLBSA-N 1 0 233.359 3.509 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000202474472 541501711 /nfs/dbraw/zinc/50/17/11/541501711.db2.gz NEMKMMQHAFASAB-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000202497472 346107997 /nfs/dbraw/zinc/10/79/97/346107997.db2.gz UDWCOCVFZUIKGW-SNVBAGLBSA-N 1 0 243.272 3.690 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000202497495 346107604 /nfs/dbraw/zinc/10/76/04/346107604.db2.gz UDWCOCVFZUIKGW-JTQLQIEISA-N 1 0 243.272 3.690 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000202660130 345730682 /nfs/dbraw/zinc/73/06/82/345730682.db2.gz ZGTVUQGFDBWDTO-AWEZNQCLSA-N 1 0 217.356 3.555 20 0 BHADRO CSc1ccccc1C[N@H+](C)C(C)(C)C ZINC000202676882 345730628 /nfs/dbraw/zinc/73/06/28/345730628.db2.gz MXNBXAZZIWAHOF-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CC1CC1 ZINC000202736470 369432147 /nfs/dbraw/zinc/43/21/47/369432147.db2.gz JYHXUCXKTVMHMD-UHFFFAOYSA-N 1 0 231.383 3.826 20 0 BHADRO CC[NH+](CC)CCc1ccc(C(C)(C)C)cc1 ZINC000202736949 385921040 /nfs/dbraw/zinc/92/10/40/385921040.db2.gz QEWJTIWRFAQYGN-UHFFFAOYSA-N 1 0 233.399 3.868 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000202741992 527791985 /nfs/dbraw/zinc/79/19/85/527791985.db2.gz GEFLQMPEDHGZNF-JSGCOSHPSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000202742497 527788705 /nfs/dbraw/zinc/78/87/05/527788705.db2.gz IQQDAGWFVAMXNA-JKSUJKDBSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000202742625 527792166 /nfs/dbraw/zinc/79/21/66/527792166.db2.gz IQQDAGWFVAMXNA-HOTGVXAUSA-N 1 0 231.383 3.991 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccccc1 ZINC000202764858 359702861 /nfs/dbraw/zinc/70/28/61/359702861.db2.gz XXFIEWSQYOITMQ-CYBMUJFWSA-N 1 0 205.345 3.555 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccccc1 ZINC000202764882 348049461 /nfs/dbraw/zinc/04/94/61/348049461.db2.gz XXFIEWSQYOITMQ-ZDUSSCGKSA-N 1 0 205.345 3.555 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000202859051 345730852 /nfs/dbraw/zinc/73/08/52/345730852.db2.gz ZGTVUQGFDBWDTO-CQSZACIVSA-N 1 0 217.356 3.555 20 0 BHADRO Cc1ccc(C[NH+]2CCCCC2)cc1Cl ZINC000202904364 363065857 /nfs/dbraw/zinc/06/58/57/363065857.db2.gz BNYDFEBQCDVGRJ-UHFFFAOYSA-N 1 0 223.747 3.634 20 0 BHADRO C[N@H+](CCC1CCCC1)C1Cc2ccccc2C1 ZINC000203784846 345731221 /nfs/dbraw/zinc/73/12/21/345731221.db2.gz PBRADXDUUMAJTF-UHFFFAOYSA-N 1 0 243.394 3.666 20 0 BHADRO CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000203871814 348230339 /nfs/dbraw/zinc/23/03/39/348230339.db2.gz AYBQPPDNGGQSTF-UHFFFAOYSA-N 1 0 223.747 3.539 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)C(C)(C)C ZINC000203973515 387019248 /nfs/dbraw/zinc/01/92/48/387019248.db2.gz CZFFBSBEEBHZKF-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)C(C)(C)C ZINC000203973530 345732330 /nfs/dbraw/zinc/73/23/30/345732330.db2.gz WLWXHNWANIUWLV-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000204166173 346554615 /nfs/dbraw/zinc/55/46/15/346554615.db2.gz AKKKGLCYNCIRFO-HNNXBMFYSA-N 1 0 235.371 3.925 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000204166188 346554579 /nfs/dbraw/zinc/55/45/79/346554579.db2.gz AKKKGLCYNCIRFO-OAHLLOKOSA-N 1 0 235.371 3.925 20 0 BHADRO CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000204306180 589327490 /nfs/dbraw/zinc/32/74/90/589327490.db2.gz CDQNRZUFQJLZLB-NSHDSACASA-N 1 0 243.272 3.515 20 0 BHADRO CC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000204306199 585015931 /nfs/dbraw/zinc/01/59/31/585015931.db2.gz CDQNRZUFQJLZLB-LLVKDONJSA-N 1 0 243.272 3.515 20 0 BHADRO CC[N@H+](Cc1cccs1)C1CCCCC1 ZINC000204424775 388458068 /nfs/dbraw/zinc/45/80/68/388458068.db2.gz KMTLFODXXACHMN-UHFFFAOYSA-N 1 0 223.385 3.903 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2ccccc2)CC1 ZINC000204631414 345732286 /nfs/dbraw/zinc/73/22/86/345732286.db2.gz KFBIYZALKHNRGX-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2ccccc2)CC1 ZINC000204631429 343558184 /nfs/dbraw/zinc/55/81/84/343558184.db2.gz KFBIYZALKHNRGX-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccccc1C[N@H+](C)CCC(C)(C)C ZINC000204819147 538954342 /nfs/dbraw/zinc/95/43/42/538954342.db2.gz SZSWJEAXGZGLMC-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO Cc1cc(Cl)cc(C[NH+]2CCCCC2)c1 ZINC000205003143 348438892 /nfs/dbraw/zinc/43/88/92/348438892.db2.gz KBLZVYHCEQMDHJ-UHFFFAOYSA-N 1 0 223.747 3.634 20 0 BHADRO CCCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000205018331 589397150 /nfs/dbraw/zinc/39/71/50/589397150.db2.gz NEWNFMHBUDVOQU-UHFFFAOYSA-N 1 0 225.763 3.965 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000205138977 345732799 /nfs/dbraw/zinc/73/27/99/345732799.db2.gz ZVLDRIREXISWEV-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000205138995 345732910 /nfs/dbraw/zinc/73/29/10/345732910.db2.gz ZVLDRIREXISWEV-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[N@H+](CC)CC[C@@H](C)c1ccccc1 ZINC000205529439 348543128 /nfs/dbraw/zinc/54/31/28/348543128.db2.gz LJXQBMHCDMBYDV-CQSZACIVSA-N 1 0 219.372 3.912 20 0 BHADRO CCC[N@H+](CC)CC[C@H](C)c1ccccc1 ZINC000205529451 345733016 /nfs/dbraw/zinc/73/30/16/345733016.db2.gz LJXQBMHCDMBYDV-AWEZNQCLSA-N 1 0 219.372 3.912 20 0 BHADRO CC[NH+](CC)CCc1ccc2ccccc2c1 ZINC000206037163 363088130 /nfs/dbraw/zinc/08/81/30/363088130.db2.gz OFKNVZUQAAYOEK-UHFFFAOYSA-N 1 0 227.351 3.724 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)C/C=C\Cl)cc1 ZINC000206390794 589519786 /nfs/dbraw/zinc/51/97/86/589519786.db2.gz VGUVZKMACFSFDL-WTKPLQERSA-N 1 0 237.774 3.994 20 0 BHADRO Cl/C=C\C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000206390921 589519779 /nfs/dbraw/zinc/51/97/79/589519779.db2.gz HBYNJWAAIRPCSL-WTKPLQERSA-N 1 0 249.785 3.694 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000206394397 388502936 /nfs/dbraw/zinc/50/29/36/388502936.db2.gz GEFLQMPEDHGZNF-OCCSQVGLSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000206394578 528690598 /nfs/dbraw/zinc/69/05/98/528690598.db2.gz IQQDAGWFVAMXNA-CVEARBPZSA-N 1 0 231.383 3.991 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000206394614 388502612 /nfs/dbraw/zinc/50/26/12/388502612.db2.gz IQQDAGWFVAMXNA-HZPDHXFCSA-N 1 0 231.383 3.991 20 0 BHADRO CCC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000206420203 348639598 /nfs/dbraw/zinc/63/95/98/348639598.db2.gz JOORDHCCTXGKIQ-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO CC(C)(C)C1CC[NH+](Cc2ccco2)CC1 ZINC000206537160 345734494 /nfs/dbraw/zinc/73/44/94/345734494.db2.gz CBEVWUVVLHHAOJ-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CCC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000206548059 348651931 /nfs/dbraw/zinc/65/19/31/348651931.db2.gz RIYQHIRUSXSZGE-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000206548339 343263860 /nfs/dbraw/zinc/26/38/60/343263860.db2.gz LQBDQEJBLPBLEW-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C(C)C ZINC000207581978 345734381 /nfs/dbraw/zinc/73/43/81/345734381.db2.gz MIWKUIZYLGVYHS-CYBMUJFWSA-N 1 0 225.763 3.659 20 0 BHADRO CC(C)CCC[N@H+](C)Cc1ccccc1 ZINC000207637934 345735042 /nfs/dbraw/zinc/73/50/42/345735042.db2.gz NYKIECLVQQPHGL-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000208346296 385600461 /nfs/dbraw/zinc/60/04/61/385600461.db2.gz MIGGNSLDSQYFKE-ZFWWWQNUSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000208394422 345735219 /nfs/dbraw/zinc/73/52/19/345735219.db2.gz VIKFMUJDJSUKAH-CQSZACIVSA-N 1 0 237.774 3.960 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000208394475 343755446 /nfs/dbraw/zinc/75/54/46/343755446.db2.gz OADYHFUBXNAEMR-CQSZACIVSA-N 1 0 237.774 3.960 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000208824811 384211725 /nfs/dbraw/zinc/21/17/25/384211725.db2.gz UTLBQIXQRWRVAD-JKEYDSJLSA-N 1 0 217.356 3.724 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000208824848 384210856 /nfs/dbraw/zinc/21/08/56/384210856.db2.gz UTLBQIXQRWRVAD-YHAOYDPOSA-N 1 0 217.356 3.724 20 0 BHADRO Cl/C=C\C[N@H+](CC1CC1)C1CCCCC1 ZINC000209706159 590671105 /nfs/dbraw/zinc/67/11/05/590671105.db2.gz WVTXRFFTVKHWKT-WTKPLQERSA-N 1 0 227.779 3.784 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000210167360 590825731 /nfs/dbraw/zinc/82/57/31/590825731.db2.gz ZJRPOMXWQNMXSI-VVEJJEBESA-N 1 0 229.795 3.887 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000210167395 590825571 /nfs/dbraw/zinc/82/55/71/590825571.db2.gz ZJRPOMXWQNMXSI-JECSTDCCSA-N 1 0 229.795 3.887 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CCc1cccs1 ZINC000210539143 386705648 /nfs/dbraw/zinc/70/56/48/386705648.db2.gz OEQCEEBPSMMWIK-YWEYNIOJSA-N 1 0 243.375 3.594 20 0 BHADRO Fc1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000210539288 385581742 /nfs/dbraw/zinc/58/17/42/385581742.db2.gz DOTWYFKZIQKJHC-UITAMQMPSA-N 1 0 241.309 3.629 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CC1CCCCC1 ZINC000210539483 386704952 /nfs/dbraw/zinc/70/49/52/386704952.db2.gz HUMBPJXUWVZPGC-GHXNOFRVSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccco1 ZINC000210539616 386703689 /nfs/dbraw/zinc/70/36/89/386703689.db2.gz BWLOXYIDAZTBIC-QGOGUYACSA-N 1 0 227.307 3.644 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccco1 ZINC000210539649 386704462 /nfs/dbraw/zinc/70/44/62/386704462.db2.gz BWLOXYIDAZTBIC-WYOARUQKSA-N 1 0 227.307 3.644 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CCc2ccccc21 ZINC000210539751 386705518 /nfs/dbraw/zinc/70/55/18/386705518.db2.gz CLNUIOGMOUJAMN-OTIVFRFGSA-N 1 0 249.357 3.977 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@H]1CCc2ccccc21 ZINC000210539783 386703605 /nfs/dbraw/zinc/70/36/05/386703605.db2.gz CLNUIOGMOUJAMN-KKMIYCERSA-N 1 0 249.357 3.977 20 0 BHADRO Cc1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000210539828 386705308 /nfs/dbraw/zinc/70/53/08/386705308.db2.gz NBCNXNULKZEOGU-WDZFZDKYSA-N 1 0 237.346 3.798 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1 ZINC000210540142 590912421 /nfs/dbraw/zinc/91/24/21/590912421.db2.gz UAHIYEXKJLAHCD-UQYHUFHVSA-N 1 0 241.334 3.514 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1 ZINC000210540172 590912325 /nfs/dbraw/zinc/91/23/25/590912325.db2.gz UAHIYEXKJLAHCD-VYLZPFMQSA-N 1 0 241.334 3.514 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CCc1ccsc1 ZINC000210540395 166228211 /nfs/dbraw/zinc/22/82/11/166228211.db2.gz CRUICIUSJVWFQL-DAXSKMNVSA-N 1 0 243.375 3.594 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000211092640 385668866 /nfs/dbraw/zinc/66/88/66/385668866.db2.gz QEBBGQWDECOLJF-LBPRGKRZSA-N 1 0 243.272 3.606 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000211092687 385668609 /nfs/dbraw/zinc/66/86/09/385668609.db2.gz QEBBGQWDECOLJF-GFCCVEGCSA-N 1 0 243.272 3.606 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000211096281 386776777 /nfs/dbraw/zinc/77/67/77/386776777.db2.gz CLKJDAJBUFFKLM-NWDGAFQWSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000211096324 386776504 /nfs/dbraw/zinc/77/65/04/386776504.db2.gz CLKJDAJBUFFKLM-VXGBXAGGSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000211096373 386776633 /nfs/dbraw/zinc/77/66/33/386776633.db2.gz CLKJDAJBUFFKLM-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000211096421 386776564 /nfs/dbraw/zinc/77/65/64/386776564.db2.gz CLKJDAJBUFFKLM-NEPJUHHUSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1cscc1C[NH2+]C/C=C\c1ccccc1 ZINC000211115917 386779926 /nfs/dbraw/zinc/77/99/26/386779926.db2.gz NLOMEQUYRSWYBM-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000211118131 591125161 /nfs/dbraw/zinc/12/51/61/591125161.db2.gz NXQCXETXNVWMAF-KGLIPLIRSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000211118183 591124788 /nfs/dbraw/zinc/12/47/88/591124788.db2.gz NXQCXETXNVWMAF-KBPBESRZSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000211118232 591124952 /nfs/dbraw/zinc/12/49/52/591124952.db2.gz NXQCXETXNVWMAF-ZIAGYGMSSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000211118283 591124265 /nfs/dbraw/zinc/12/42/65/591124265.db2.gz NXQCXETXNVWMAF-UONOGXRCSA-N 1 0 249.398 3.882 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000211121619 386781276 /nfs/dbraw/zinc/78/12/76/386781276.db2.gz JTFPTUZCNLHXFV-KGLIPLIRSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000211121674 386780930 /nfs/dbraw/zinc/78/09/30/386780930.db2.gz JTFPTUZCNLHXFV-KBPBESRZSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000211121724 386782429 /nfs/dbraw/zinc/78/24/29/386782429.db2.gz JTFPTUZCNLHXFV-ZIAGYGMSSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000211121775 386782339 /nfs/dbraw/zinc/78/23/39/386782339.db2.gz JTFPTUZCNLHXFV-UONOGXRCSA-N 1 0 249.398 3.738 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000211128032 358572244 /nfs/dbraw/zinc/57/22/44/358572244.db2.gz YAXBGKPNUVKFJM-HEHGZKQESA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000211128129 345737525 /nfs/dbraw/zinc/73/75/25/345737525.db2.gz YAXBGKPNUVKFJM-XEZPLFJOSA-N 1 0 247.382 3.640 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC1CC1)CC2 ZINC000211136250 386784749 /nfs/dbraw/zinc/78/47/49/386784749.db2.gz UICWVPHKZRSRAI-BLLLJJGKSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC1CC1)CC2 ZINC000211136297 386784037 /nfs/dbraw/zinc/78/40/37/386784037.db2.gz UICWVPHKZRSRAI-LRDDRELGSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC1CC1)CC2 ZINC000211136348 386784390 /nfs/dbraw/zinc/78/43/90/386784390.db2.gz UICWVPHKZRSRAI-MLGOLLRUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC1CC1)CC2 ZINC000211136394 386784071 /nfs/dbraw/zinc/78/40/71/386784071.db2.gz UICWVPHKZRSRAI-WBMJQRKESA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211136467 386784790 /nfs/dbraw/zinc/78/47/90/386784790.db2.gz VXMVNHQKAQLPKZ-ZUZCIYMTSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211136525 386783975 /nfs/dbraw/zinc/78/39/75/386783975.db2.gz VXMVNHQKAQLPKZ-MEBBXXQBSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211136579 386784817 /nfs/dbraw/zinc/78/48/17/386784817.db2.gz VXMVNHQKAQLPKZ-BONVTDFDSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211136629 256677241 /nfs/dbraw/zinc/67/72/41/256677241.db2.gz VXMVNHQKAQLPKZ-BMIGLBTASA-N 1 0 249.785 3.585 20 0 BHADRO CCC(CC)(CC)[NH2+]C/C(Cl)=C\Cl ZINC000211214188 591147766 /nfs/dbraw/zinc/14/77/66/591147766.db2.gz XPFHZOSJQAZJAJ-VQHVLOKHSA-N 1 0 224.175 3.864 20 0 BHADRO C[C@H]([NH2+]C/C(Cl)=C\Cl)C1CCCCC1 ZINC000211232525 591148633 /nfs/dbraw/zinc/14/86/33/591148633.db2.gz QFHRMOQZMATRBI-FKVCUQLRSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1CCCCC1 ZINC000211232583 591149214 /nfs/dbraw/zinc/14/92/14/591149214.db2.gz QFHRMOQZMATRBI-MXFUOJGSSA-N 1 0 236.186 3.864 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC000211246423 591152711 /nfs/dbraw/zinc/15/27/11/591152711.db2.gz WRBXMBHYEMZIFB-LCIINNLCSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1C ZINC000211250438 591152143 /nfs/dbraw/zinc/15/21/43/591152143.db2.gz KRCPPQWXRFGQKJ-NKGCTNDSSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC000211273553 591152916 /nfs/dbraw/zinc/15/29/16/591152916.db2.gz FCAQFZMAYGBWCR-NKGCTNDSSA-N 1 0 236.186 3.720 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC000211337047 591159781 /nfs/dbraw/zinc/15/97/81/591159781.db2.gz GAGDPTWVLTUWQM-PCYYEKQGSA-N 1 0 236.186 3.864 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC000211337113 591160264 /nfs/dbraw/zinc/16/02/64/591160264.db2.gz GAGDPTWVLTUWQM-TTZKWOQHSA-N 1 0 236.186 3.864 20 0 BHADRO Cc1ccsc1C[NH2+]C/C=C\c1ccccc1 ZINC000211422412 387546863 /nfs/dbraw/zinc/54/68/63/387546863.db2.gz MBEKSMIGKVZKSC-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO Cc1cc(C[N@H+]2CCCCC[C@@H]2C)cc(C)c1O ZINC000211424529 387547509 /nfs/dbraw/zinc/54/75/09/387547509.db2.gz JPVKTBFXGRMFPI-AWEZNQCLSA-N 1 0 247.382 3.774 20 0 BHADRO Cc1cc(C[N@H+]2CCCCC[C@H]2C)cc(C)c1O ZINC000211424603 387547750 /nfs/dbraw/zinc/54/77/50/387547750.db2.gz JPVKTBFXGRMFPI-CQSZACIVSA-N 1 0 247.382 3.774 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC(C)(C)C2)cc(C)c1O ZINC000211431335 387547194 /nfs/dbraw/zinc/54/71/94/387547194.db2.gz ZLKCVDMFNCLFQA-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000211451471 387545470 /nfs/dbraw/zinc/54/54/70/387545470.db2.gz XMQWCIWHGXZXCO-UHFFFAOYSA-N 1 0 235.371 3.629 20 0 BHADRO Cc1cc(C[N@H+](C)CC2CCCC2)cc(C)c1O ZINC000211465808 388008716 /nfs/dbraw/zinc/00/87/16/388008716.db2.gz IVVUQQRIDLRECC-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)CC2)cc(C)c1O ZINC000211509507 324110020 /nfs/dbraw/zinc/11/00/20/324110020.db2.gz MEDXWALHSORJFK-LBPRGKRZSA-N 1 0 247.382 3.631 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)cc(C)c1O ZINC000211509602 324109922 /nfs/dbraw/zinc/10/99/22/324109922.db2.gz MEDXWALHSORJFK-GFCCVEGCSA-N 1 0 247.382 3.631 20 0 BHADRO C[N@H+](Cc1cccc(O)c1)C1CCC(C)(C)CC1 ZINC000211539340 387551647 /nfs/dbraw/zinc/55/16/47/387551647.db2.gz PFUAPNUQEYQPSP-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(O)c1)C1CCCC1 ZINC000211549482 387382611 /nfs/dbraw/zinc/38/26/11/387382611.db2.gz BXKVXKDIAZSJAB-UHFFFAOYSA-N 1 0 247.382 3.793 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000211557642 323169406 /nfs/dbraw/zinc/16/94/06/323169406.db2.gz UMTYZPOYJNMMNE-XMELGKRDSA-N 1 0 229.367 3.868 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000211557720 323169409 /nfs/dbraw/zinc/16/94/09/323169409.db2.gz UMTYZPOYJNMMNE-YYRKOSNBSA-N 1 0 229.367 3.868 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc(C)c1O ZINC000211577514 388551603 /nfs/dbraw/zinc/55/16/03/388551603.db2.gz UZBXELNIKLXUKI-RISCZKNCSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc(C)c1O ZINC000211577596 388551372 /nfs/dbraw/zinc/55/13/72/388551372.db2.gz UZBXELNIKLXUKI-FZMZJTMJSA-N 1 0 247.382 3.629 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC000211751993 384543735 /nfs/dbraw/zinc/54/37/35/384543735.db2.gz SKZFRPBBGUWWDS-YHAOYDPOSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC000211752069 384543786 /nfs/dbraw/zinc/54/37/86/384543786.db2.gz SKZFRPBBGUWWDS-JKEYDSJLSA-N 1 0 217.356 3.582 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+]CC1CCCC1)C2 ZINC000211777162 398269838 /nfs/dbraw/zinc/26/98/38/398269838.db2.gz XPVQPURCZBGSPU-OAHLLOKOSA-N 1 0 249.785 3.587 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CCCC1)C2 ZINC000211777237 398269494 /nfs/dbraw/zinc/26/94/94/398269494.db2.gz XPVQPURCZBGSPU-HNNXBMFYSA-N 1 0 249.785 3.587 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000211871033 383851752 /nfs/dbraw/zinc/85/17/52/383851752.db2.gz MSASAAOZVPKQSN-WKPIXPDZSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000211871184 383847438 /nfs/dbraw/zinc/84/74/38/383847438.db2.gz MSASAAOZVPKQSN-VCTAVGKDSA-N 1 0 233.330 3.591 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000211892331 383990747 /nfs/dbraw/zinc/99/07/47/383990747.db2.gz NMSIRIYLVSYWCJ-HNNXBMFYSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000211892406 383991317 /nfs/dbraw/zinc/99/13/17/383991317.db2.gz NMSIRIYLVSYWCJ-OAHLLOKOSA-N 1 0 245.341 3.591 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000211901561 256581831 /nfs/dbraw/zinc/58/18/31/256581831.db2.gz OKPZLCBAYDMAKL-MRXNPFEDSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000211901634 256581367 /nfs/dbraw/zinc/58/13/67/256581367.db2.gz OKPZLCBAYDMAKL-INIZCTEOSA-N 1 0 241.378 3.761 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000211925737 345737905 /nfs/dbraw/zinc/73/79/05/345737905.db2.gz CRYNTSZQIQPSKJ-WOSRLPQWSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000211925883 345738047 /nfs/dbraw/zinc/73/80/47/345738047.db2.gz CRYNTSZQIQPSKJ-ZENOOKHLSA-N 1 0 247.382 3.640 20 0 BHADRO CSCCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000211933624 387652728 /nfs/dbraw/zinc/65/27/28/387652728.db2.gz GDCZSRUZCXQGFC-DOMZBBRYSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000211933704 387652444 /nfs/dbraw/zinc/65/24/44/387652444.db2.gz GDCZSRUZCXQGFC-WFASDCNBSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000211933792 384391388 /nfs/dbraw/zinc/39/13/88/384391388.db2.gz GDCZSRUZCXQGFC-IUODEOHRSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000211933865 384391764 /nfs/dbraw/zinc/39/17/64/384391764.db2.gz GDCZSRUZCXQGFC-SWLSCSKDSA-N 1 0 249.423 3.968 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(F)(F)F)CC2 ZINC000211956815 256590221 /nfs/dbraw/zinc/59/02/21/256590221.db2.gz MWQDGULCLXHPIB-GFCCVEGCSA-N 1 0 243.272 3.524 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(F)(F)F)CC2 ZINC000211956893 384753170 /nfs/dbraw/zinc/75/31/70/384753170.db2.gz MWQDGULCLXHPIB-LBPRGKRZSA-N 1 0 243.272 3.524 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]Cc1ccsc1 ZINC000211957631 166228282 /nfs/dbraw/zinc/22/82/82/166228282.db2.gz ARFJMGHKHYLODB-DAXSKMNVSA-N 1 0 229.348 3.551 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CCCC(F)(F)F ZINC000211958251 175687585 /nfs/dbraw/zinc/68/75/85/175687585.db2.gz OCKATGKIVBHNPD-JTQLQIEISA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CCCC(F)(F)F ZINC000211958329 176641756 /nfs/dbraw/zinc/64/17/56/176641756.db2.gz OCKATGKIVBHNPD-SNVBAGLBSA-N 1 0 249.276 3.533 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C(C)C ZINC000212233887 386996705 /nfs/dbraw/zinc/99/67/05/386996705.db2.gz BPNMKVDYJXRWRT-FLIBITNWSA-N 1 0 223.747 3.741 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(C)C ZINC000212246219 256645592 /nfs/dbraw/zinc/64/55/92/256645592.db2.gz DBAYXLJKDOAJFR-WQLSENKSSA-N 1 0 237.774 3.989 20 0 BHADRO COCc1ccccc1/C=C(\C)C[NH2+]C(C)(C)C ZINC000212262872 386424548 /nfs/dbraw/zinc/42/45/48/386424548.db2.gz WDCIISIHGHEPPO-JLHYYAGUSA-N 1 0 247.382 3.624 20 0 BHADRO CC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000212283582 256665502 /nfs/dbraw/zinc/66/55/02/256665502.db2.gz ZCPJGBYRTYINDZ-NTMALXAHSA-N 1 0 243.272 3.718 20 0 BHADRO CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000212284272 256665424 /nfs/dbraw/zinc/66/54/24/256665424.db2.gz LGGDMSCZJGJWIH-YFHOEESVSA-N 1 0 243.272 3.718 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000212290378 487501356 /nfs/dbraw/zinc/50/13/56/487501356.db2.gz NKGUMJQLWJLAIF-WBMJQRKESA-N 1 0 240.350 3.542 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000212290446 487501608 /nfs/dbraw/zinc/50/16/08/487501608.db2.gz NKGUMJQLWJLAIF-LRDDRELGSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)cc2[nH]1 ZINC000212291050 359841374 /nfs/dbraw/zinc/84/13/74/359841374.db2.gz BWXYUWYQKUMZHK-ZBFHGGJFSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)cc2[nH]1 ZINC000212291115 359841126 /nfs/dbraw/zinc/84/11/26/359841126.db2.gz BWXYUWYQKUMZHK-HOCLYGCPSA-N 1 0 240.350 3.542 20 0 BHADRO CCC[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000212293350 323082478 /nfs/dbraw/zinc/08/24/78/323082478.db2.gz CETQMKJRWUCNIF-LUAWRHEFSA-N 1 0 223.747 3.743 20 0 BHADRO c1cc2cccc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)c2[nH]1 ZINC000212295324 347118940 /nfs/dbraw/zinc/11/89/40/347118940.db2.gz FZTPNXSQQXWSAQ-DOMZBBRYSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2cccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)c2[nH]1 ZINC000212295388 345726468 /nfs/dbraw/zinc/72/64/68/345726468.db2.gz FZTPNXSQQXWSAQ-WFASDCNBSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CC[C@H]3CCC[C@@H]32)[nH]1 ZINC000212296430 345726476 /nfs/dbraw/zinc/72/64/76/345726476.db2.gz HSEPSFMYZPBADR-WBMJQRKESA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000212296498 347121398 /nfs/dbraw/zinc/12/13/98/347121398.db2.gz HSEPSFMYZPBADR-LRDDRELGSA-N 1 0 240.350 3.542 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212713614 323905221 /nfs/dbraw/zinc/90/52/21/323905221.db2.gz QJVUFJFLAACVRT-VIFPVBQESA-N 1 0 229.726 3.930 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212713677 323905211 /nfs/dbraw/zinc/90/52/11/323905211.db2.gz QJVUFJFLAACVRT-SECBINFHSA-N 1 0 229.726 3.930 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212713787 323905368 /nfs/dbraw/zinc/90/53/68/323905368.db2.gz XOMQOZALOHISHY-BDAKNGLRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212713850 388095507 /nfs/dbraw/zinc/09/55/07/388095507.db2.gz XOMQOZALOHISHY-IUCAKERBSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212713911 323905182 /nfs/dbraw/zinc/90/51/82/323905182.db2.gz XOMQOZALOHISHY-RKDXNWHRSA-N 1 0 229.726 3.928 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212713970 388095758 /nfs/dbraw/zinc/09/57/58/388095758.db2.gz XOMQOZALOHISHY-DTWKUNHWSA-N 1 0 229.726 3.928 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000212750867 385341697 /nfs/dbraw/zinc/34/16/97/385341697.db2.gz BEMVBKKYNUJIFL-JTQLQIEISA-N 1 0 239.334 3.674 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000212750932 385340901 /nfs/dbraw/zinc/34/09/01/385340901.db2.gz BEMVBKKYNUJIFL-SNVBAGLBSA-N 1 0 239.334 3.674 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc(Cl)c(F)c1 ZINC000212753075 323905262 /nfs/dbraw/zinc/90/52/62/323905262.db2.gz NUZYGQZUFHYBOF-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc(Cl)c(F)c1 ZINC000212753141 388095653 /nfs/dbraw/zinc/09/56/53/388095653.db2.gz NUZYGQZUFHYBOF-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212806803 323906009 /nfs/dbraw/zinc/90/60/09/323906009.db2.gz AXERLZGKAILSNZ-QMMMGPOBSA-N 1 0 215.699 3.540 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212806858 388096507 /nfs/dbraw/zinc/09/65/07/388096507.db2.gz AXERLZGKAILSNZ-MRVPVSSYSA-N 1 0 215.699 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)c(F)c1 ZINC000212807685 343248504 /nfs/dbraw/zinc/24/85/04/343248504.db2.gz FAFSZCPTWJZJLN-IUCAKERBSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)c(F)c1 ZINC000212807755 343248710 /nfs/dbraw/zinc/24/87/10/343248710.db2.gz FAFSZCPTWJZJLN-DTWKUNHWSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C1CC1 ZINC000212807831 343248407 /nfs/dbraw/zinc/24/84/07/343248407.db2.gz FAFSZCPTWJZJLN-BDAKNGLRSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)c(F)c1 ZINC000212807897 343248524 /nfs/dbraw/zinc/24/85/24/343248524.db2.gz FAFSZCPTWJZJLN-RKDXNWHRSA-N 1 0 241.737 3.928 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000213563734 386005736 /nfs/dbraw/zinc/00/57/36/386005736.db2.gz FTRGSCUZOONSJY-CQSZACIVSA-N 1 0 233.355 3.547 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000213563784 386006768 /nfs/dbraw/zinc/00/67/68/386006768.db2.gz FTRGSCUZOONSJY-AWEZNQCLSA-N 1 0 233.355 3.547 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000213694327 345741248 /nfs/dbraw/zinc/74/12/48/345741248.db2.gz KXAOKCWKVMMKDU-MRXNPFEDSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(Cl)c(F)c1 ZINC000213769824 388108790 /nfs/dbraw/zinc/10/87/90/388108790.db2.gz FHRGACLIOBKCBT-QMMMGPOBSA-N 1 0 227.710 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(Cl)c(F)c1 ZINC000213769885 323914894 /nfs/dbraw/zinc/91/48/94/323914894.db2.gz FHRGACLIOBKCBT-MRVPVSSYSA-N 1 0 227.710 3.540 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CCCCC1 ZINC000213902730 349552090 /nfs/dbraw/zinc/55/20/90/349552090.db2.gz UDGOHMIEWKGMBR-OWBHPGMISA-N 1 0 215.340 3.576 20 0 BHADRO CC(C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000213923425 259305245 /nfs/dbraw/zinc/30/52/45/259305245.db2.gz FHKCGPPTDWLCCZ-UHFFFAOYSA-N 1 0 243.753 3.755 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000213939634 343096989 /nfs/dbraw/zinc/09/69/89/343096989.db2.gz SVDJOMVBRNRAIY-NUEKZKHPSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000214137824 591537310 /nfs/dbraw/zinc/53/73/10/591537310.db2.gz XEBTYBZRDZBPIY-CYBMUJFWSA-N 1 0 239.403 3.646 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000214137881 591536745 /nfs/dbraw/zinc/53/67/45/591536745.db2.gz XEBTYBZRDZBPIY-ZDUSSCGKSA-N 1 0 239.403 3.646 20 0 BHADRO C/C=C\C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000214317539 344083114 /nfs/dbraw/zinc/08/31/14/344083114.db2.gz ZSJHPHPCTZZTDF-IHWYPQMZSA-N 1 0 237.346 3.942 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CC(C1CC1)C1CC1 ZINC000214392652 323927798 /nfs/dbraw/zinc/92/77/98/323927798.db2.gz BYUINSWRDCGSJU-DAXSKMNVSA-N 1 0 241.378 3.726 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000214722393 345029774 /nfs/dbraw/zinc/02/97/74/345029774.db2.gz VNIADTQVQBCIQQ-NHYWBVRUSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000214722445 345030246 /nfs/dbraw/zinc/03/02/46/345030246.db2.gz VNIADTQVQBCIQQ-XHDPSFHLSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000214722497 345030167 /nfs/dbraw/zinc/03/01/67/345030167.db2.gz VNIADTQVQBCIQQ-ABAIWWIYSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000214722546 345030104 /nfs/dbraw/zinc/03/01/04/345030104.db2.gz VNIADTQVQBCIQQ-IAQYHMDHSA-N 1 0 231.314 3.511 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000214821880 356963370 /nfs/dbraw/zinc/96/33/70/356963370.db2.gz POHPLXRFKCRHBW-SKHCZCESSA-N 1 0 249.357 3.629 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@H]1Cc2ccccc21 ZINC000214821928 356963363 /nfs/dbraw/zinc/96/33/63/356963363.db2.gz POHPLXRFKCRHBW-UXHZXRBQSA-N 1 0 249.357 3.629 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000214955340 322826951 /nfs/dbraw/zinc/82/69/51/322826951.db2.gz CFVQGVDKSYFQJM-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000214955383 322827229 /nfs/dbraw/zinc/82/72/29/322827229.db2.gz CFVQGVDKSYFQJM-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000214955430 322827322 /nfs/dbraw/zinc/82/73/22/322827322.db2.gz CFVQGVDKSYFQJM-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000214955477 384485609 /nfs/dbraw/zinc/48/56/09/384485609.db2.gz CFVQGVDKSYFQJM-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(Cl)c(F)c1 ZINC000214979087 342924423 /nfs/dbraw/zinc/92/44/23/342924423.db2.gz KTKXPONZAXXXAP-QMMMGPOBSA-N 1 0 227.710 3.682 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(Cl)c(F)c1 ZINC000214979137 342924341 /nfs/dbraw/zinc/92/43/41/342924341.db2.gz KTKXPONZAXXXAP-MRVPVSSYSA-N 1 0 227.710 3.682 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc(Cl)c(F)c1 ZINC000215000432 490178429 /nfs/dbraw/zinc/17/84/29/490178429.db2.gz HUVKKXTXCBNMPQ-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc(Cl)c(F)c1 ZINC000215000481 490178392 /nfs/dbraw/zinc/17/83/92/490178392.db2.gz HUVKKXTXCBNMPQ-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC)cc1 ZINC000215372972 384431351 /nfs/dbraw/zinc/43/13/51/384431351.db2.gz HPTPVZWAFMESTC-SDQPKGBYSA-N 1 0 247.382 3.572 20 0 BHADRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC)cc1 ZINC000215373016 345741929 /nfs/dbraw/zinc/74/19/29/345741929.db2.gz HPTPVZWAFMESTC-KXQLTZBTSA-N 1 0 247.382 3.572 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCc1ccsc1 ZINC000215373088 256586989 /nfs/dbraw/zinc/58/69/89/256586989.db2.gz LQQXNHKIAHRWEI-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCc1cccs1 ZINC000215380018 384431773 /nfs/dbraw/zinc/43/17/73/384431773.db2.gz AFANTYAPPGRFSH-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCCC(F)(F)F ZINC000215389533 398088682 /nfs/dbraw/zinc/08/86/82/398088682.db2.gz NUKHVKNHTFCYJH-UHFFFAOYSA-N 1 0 245.288 3.736 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000215398314 384435845 /nfs/dbraw/zinc/43/58/45/384435845.db2.gz XLKWYZZPZXAQEC-AWEZNQCLSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCCS1 ZINC000215398360 384435550 /nfs/dbraw/zinc/43/55/50/384435550.db2.gz XLKWYZZPZXAQEC-CQSZACIVSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@]1(C)CCCS1 ZINC000215400257 384435648 /nfs/dbraw/zinc/43/56/48/384435648.db2.gz PAAFYSYUWAJKKK-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@@]1(C)CCCS1 ZINC000215400302 384435336 /nfs/dbraw/zinc/43/53/36/384435336.db2.gz PAAFYSYUWAJKKK-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000215621282 411194853 /nfs/dbraw/zinc/19/48/53/411194853.db2.gz HWCMTGKLCUHJEA-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000215621388 411194610 /nfs/dbraw/zinc/19/46/10/411194610.db2.gz HWCMTGKLCUHJEA-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)OCCC[N@H+](Cc1ccccc1)C(C)C ZINC000215665265 353525947 /nfs/dbraw/zinc/52/59/47/353525947.db2.gz WXICEAODDMNBGN-UHFFFAOYSA-N 1 0 249.398 3.712 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000215865679 384596238 /nfs/dbraw/zinc/59/62/38/384596238.db2.gz PBGXOILPFIOHHJ-OAHLLOKOSA-N 1 0 235.371 3.782 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000215865716 384597102 /nfs/dbraw/zinc/59/71/02/384597102.db2.gz PBGXOILPFIOHHJ-HNNXBMFYSA-N 1 0 235.371 3.782 20 0 BHADRO CCc1ccc(C[N@H+](C/C=C\Cl)C2CC2)cc1 ZINC000215878590 641701442 /nfs/dbraw/zinc/70/14/42/641701442.db2.gz KIJOILGVOGKSGV-KMKOMSMNSA-N 1 0 249.785 3.966 20 0 BHADRO CCOc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000215892493 384623856 /nfs/dbraw/zinc/62/38/56/384623856.db2.gz FWYTURCPYMNTEM-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ccccc1Cl ZINC000215892928 386841685 /nfs/dbraw/zinc/84/16/85/386841685.db2.gz NIIFUHXJSCOLHH-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ccccc1Cl ZINC000215892975 384621728 /nfs/dbraw/zinc/62/17/28/384621728.db2.gz NIIFUHXJSCOLHH-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CCCC[N@H+](C)CCSc1ccc(F)cc1 ZINC000215893103 371651967 /nfs/dbraw/zinc/65/19/67/371651967.db2.gz VWMHNOWZWRWFRS-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c(C)s1 ZINC000215895910 256600767 /nfs/dbraw/zinc/60/07/67/256600767.db2.gz VGIRMVDJUFEFCT-UHFFFAOYSA-N 1 0 249.423 3.985 20 0 BHADRO C[C@@H](C[NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000215910961 346878585 /nfs/dbraw/zinc/87/85/85/346878585.db2.gz YNYFMRMWHXWEOB-JTQLQIEISA-N 1 0 223.747 3.586 20 0 BHADRO C[C@H](C[NH2+]C1CCC1)c1cccc(Cl)c1 ZINC000215911007 346878517 /nfs/dbraw/zinc/87/85/17/346878517.db2.gz YNYFMRMWHXWEOB-SNVBAGLBSA-N 1 0 223.747 3.586 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000216027372 136222173 /nfs/dbraw/zinc/22/21/73/136222173.db2.gz OWWRFQFPAIVPGD-ZOBORPQBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000216027450 490338959 /nfs/dbraw/zinc/33/89/59/490338959.db2.gz OWWRFQFPAIVPGD-RFGFWPKPSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000216027543 355798114 /nfs/dbraw/zinc/79/81/14/355798114.db2.gz SLZCFMFRTKQWIZ-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccnc1 ZINC000216027719 136222176 /nfs/dbraw/zinc/22/21/76/136222176.db2.gz DWKZGDMUQUSLJG-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1cccnc1 ZINC000216027811 385445151 /nfs/dbraw/zinc/44/51/51/385445151.db2.gz DWKZGDMUQUSLJG-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccco1 ZINC000216028095 385444807 /nfs/dbraw/zinc/44/48/07/385444807.db2.gz DNBNJRYYGXHMOE-MROQNXINSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(O)c1 ZINC000216028878 256606829 /nfs/dbraw/zinc/60/68/29/256606829.db2.gz GONMPEJKULEUCQ-LMOYCYGVSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000216229787 259374925 /nfs/dbraw/zinc/37/49/25/259374925.db2.gz FJAFFZHOLUJHHQ-OSMZGAPFSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000216229880 385563633 /nfs/dbraw/zinc/56/36/33/385563633.db2.gz FJAFFZHOLUJHHQ-QKCSRTOESA-N 1 0 235.396 3.977 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000216272294 397871427 /nfs/dbraw/zinc/87/14/27/397871427.db2.gz ZVLVOCTWUAYKLC-SNPRPXQTSA-N 1 0 235.371 3.830 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000216272339 397871493 /nfs/dbraw/zinc/87/14/93/397871493.db2.gz ZVLVOCTWUAYKLC-YUELXQCFSA-N 1 0 235.371 3.830 20 0 BHADRO FC1(F)CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000216284681 349991777 /nfs/dbraw/zinc/99/17/77/349991777.db2.gz MVRNARUWJARBEQ-UHFFFAOYSA-N 1 0 239.309 3.602 20 0 BHADRO C1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000216288940 592017097 /nfs/dbraw/zinc/01/70/97/592017097.db2.gz KNIWJBSLJLZLFP-UMVBOHGHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000216295234 592017450 /nfs/dbraw/zinc/01/74/50/592017450.db2.gz WCYHCWNJLJEOBH-MGPQQGTHSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000216295285 582821649 /nfs/dbraw/zinc/82/16/49/582821649.db2.gz WCYHCWNJLJEOBH-MCIONIFRSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000216367468 324021266 /nfs/dbraw/zinc/02/12/66/324021266.db2.gz YORUMUKXGSUREP-LBPRGKRZSA-N 1 0 221.319 3.763 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000216367509 324021139 /nfs/dbraw/zinc/02/11/39/324021139.db2.gz YORUMUKXGSUREP-GFCCVEGCSA-N 1 0 221.319 3.763 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)o1 ZINC000216377858 349996992 /nfs/dbraw/zinc/99/69/92/349996992.db2.gz LOGNMVFTRQRYRH-KGYLQXTDSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)o1 ZINC000216377950 349996899 /nfs/dbraw/zinc/99/68/99/349996899.db2.gz LOGNMVFTRQRYRH-WXHSDQCUSA-N 1 0 221.344 3.817 20 0 BHADRO CC[N@H+](Cc1ccccc1OC)C1CCCCC1 ZINC000216436552 386189624 /nfs/dbraw/zinc/18/96/24/386189624.db2.gz CMUVVZIDDYXWCR-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)c1ccccc1 ZINC000216452613 323106072 /nfs/dbraw/zinc/10/60/72/323106072.db2.gz SDIYIPROOMETJC-ZDUSSCGKSA-N 1 0 205.345 3.870 20 0 BHADRO CCCC[N@H+](CC)[C@H](C)c1ccccc1 ZINC000216452656 323106074 /nfs/dbraw/zinc/10/60/74/323106074.db2.gz SDIYIPROOMETJC-CYBMUJFWSA-N 1 0 205.345 3.870 20 0 BHADRO CCC[N@@H+](Cc1ccccc1OCC)CC1CC1 ZINC000216462135 490396187 /nfs/dbraw/zinc/39/61/87/490396187.db2.gz REZXIVYCCUSGNE-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CSCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000216528111 387350193 /nfs/dbraw/zinc/35/01/93/387350193.db2.gz UZISZEMHBUALKI-ZDUSSCGKSA-N 1 0 249.423 3.650 20 0 BHADRO CSCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000216528168 387350879 /nfs/dbraw/zinc/35/08/79/387350879.db2.gz UZISZEMHBUALKI-CYBMUJFWSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000216628703 386722300 /nfs/dbraw/zinc/72/23/00/386722300.db2.gz NXBNLHYUWDZRTD-JHJVBQTASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000216628760 386721954 /nfs/dbraw/zinc/72/19/54/386721954.db2.gz NXBNLHYUWDZRTD-UPJWGTAASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000216628832 411562289 /nfs/dbraw/zinc/56/22/89/411562289.db2.gz MAPXVRYYUBKFCN-OUCADQQQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000216628879 411562550 /nfs/dbraw/zinc/56/25/50/411562550.db2.gz MAPXVRYYUBKFCN-SCRDCRAPSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000217328245 387796447 /nfs/dbraw/zinc/79/64/47/387796447.db2.gz ZYVIQRIXUKYQCD-JQWIXIFHSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000217328247 387796273 /nfs/dbraw/zinc/79/62/73/387796273.db2.gz ZYVIQRIXUKYQCD-CMPLNLGQSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cc(C)oc1C ZINC000217328248 387796490 /nfs/dbraw/zinc/79/64/90/387796490.db2.gz ZYVIQRIXUKYQCD-PWSUYJOCSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1cc(C)oc1C ZINC000217328250 387795265 /nfs/dbraw/zinc/79/52/65/387795265.db2.gz ZYVIQRIXUKYQCD-ZYHUDNBSSA-N 1 0 241.400 3.689 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000217866541 388573258 /nfs/dbraw/zinc/57/32/58/388573258.db2.gz NEMNNWGWDGNAPD-SYQHCUMBSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)([NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000218058495 324057824 /nfs/dbraw/zinc/05/78/24/324057824.db2.gz BGOWCAZYHSQTFA-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO c1cc2cccc(C[NH2+]CC3CCCCC3)c2[nH]1 ZINC000218062702 388575625 /nfs/dbraw/zinc/57/56/25/388575625.db2.gz IYRMDLUABJLGNW-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO c1cc2cccc(C[NH2+]CCC3CCCC3)c2[nH]1 ZINC000218085981 259432724 /nfs/dbraw/zinc/43/27/24/259432724.db2.gz BFACMEICKVAQRH-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC(C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218088253 256844665 /nfs/dbraw/zinc/84/46/65/256844665.db2.gz HCBKJHUFDZBWLQ-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CC(C)[C@@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000218093023 256626984 /nfs/dbraw/zinc/62/69/84/256626984.db2.gz XWCFCSWMOMFRIH-MRXNPFEDSA-N 1 0 243.350 3.809 20 0 BHADRO CC(C)[C@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000218093089 256844370 /nfs/dbraw/zinc/84/43/70/256844370.db2.gz XWCFCSWMOMFRIH-INIZCTEOSA-N 1 0 243.350 3.809 20 0 BHADRO c1cc2cccc(C[NH2+]Cc3ccsc3)c2[nH]1 ZINC000218106414 134251516 /nfs/dbraw/zinc/25/15/16/134251516.db2.gz NSELEVTXCKGDBU-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218136483 323151098 /nfs/dbraw/zinc/15/10/98/323151098.db2.gz MVVFDKRORZERRY-VXGBXAGGSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218136567 256845022 /nfs/dbraw/zinc/84/50/22/256845022.db2.gz MVVFDKRORZERRY-NWDGAFQWSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218136643 388577362 /nfs/dbraw/zinc/57/73/62/388577362.db2.gz MVVFDKRORZERRY-NEPJUHHUSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218136714 388577093 /nfs/dbraw/zinc/57/70/93/388577093.db2.gz MVVFDKRORZERRY-RYUDHWBXSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218142013 256627795 /nfs/dbraw/zinc/62/77/95/256627795.db2.gz JORWIAGPEUWJDH-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218142395 256844778 /nfs/dbraw/zinc/84/47/78/256844778.db2.gz RLVYCEQYESRWAP-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218142479 256845061 /nfs/dbraw/zinc/84/50/61/256845061.db2.gz RLVYCEQYESRWAP-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218142562 388576586 /nfs/dbraw/zinc/57/65/86/388576586.db2.gz RLVYCEQYESRWAP-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218142643 256844607 /nfs/dbraw/zinc/84/46/07/256844607.db2.gz RLVYCEQYESRWAP-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)C ZINC000218146961 256844663 /nfs/dbraw/zinc/84/46/63/256844663.db2.gz NLSQOSVKHQYVJR-CQSZACIVSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)C ZINC000218147029 388576823 /nfs/dbraw/zinc/57/68/23/388576823.db2.gz NLSQOSVKHQYVJR-AWEZNQCLSA-N 1 0 230.355 3.692 20 0 BHADRO c1cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2[nH]1 ZINC000218147770 134251261 /nfs/dbraw/zinc/25/12/61/134251261.db2.gz QTUAKCHQQHAUTM-CYBMUJFWSA-N 1 0 240.350 3.614 20 0 BHADRO c1cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2[nH]1 ZINC000218147836 134251551 /nfs/dbraw/zinc/25/15/51/134251551.db2.gz QTUAKCHQQHAUTM-ZDUSSCGKSA-N 1 0 240.350 3.614 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1cscn1 ZINC000218224651 324074504 /nfs/dbraw/zinc/07/45/04/324074504.db2.gz TYELTMAGURDBRS-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000218225640 388579228 /nfs/dbraw/zinc/57/92/28/388579228.db2.gz SATQBFJYTYPEOJ-MBNYWOFBSA-N 1 0 217.356 3.931 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000218225790 385989292 /nfs/dbraw/zinc/98/92/92/385989292.db2.gz SATQBFJYTYPEOJ-DYEKYZERSA-N 1 0 217.356 3.931 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218234109 324075589 /nfs/dbraw/zinc/07/55/89/324075589.db2.gz XLYDSSFEWDXPBM-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218234166 324075478 /nfs/dbraw/zinc/07/54/78/324075478.db2.gz XLYDSSFEWDXPBM-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cscn1 ZINC000218249535 324074542 /nfs/dbraw/zinc/07/45/42/324074542.db2.gz SVNIBQJGFZOWQI-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cscn1 ZINC000218249625 324074618 /nfs/dbraw/zinc/07/46/18/324074618.db2.gz SVNIBQJGFZOWQI-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000218257954 357922130 /nfs/dbraw/zinc/92/21/30/357922130.db2.gz LFVWXHCBHDKRTO-GMTAPVOTSA-N 1 0 238.400 3.618 20 0 BHADRO CCc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000218415299 372110311 /nfs/dbraw/zinc/11/03/11/372110311.db2.gz VXRXGUPTDQKQLC-UHFFFAOYSA-N 1 0 249.741 3.785 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H]1C ZINC000218537248 323082485 /nfs/dbraw/zinc/08/24/85/323082485.db2.gz QWARNICXAJMVLO-TUVASFSCSA-N 1 0 221.388 3.757 20 0 BHADRO Cc1cccc2nc(CSCC(C)C)cn21 ZINC000218932763 350108185 /nfs/dbraw/zinc/10/81/85/350108185.db2.gz VESXJCAWLKXZCH-UHFFFAOYSA-N 1 0 234.368 3.532 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000218937646 388596981 /nfs/dbraw/zinc/59/69/81/388596981.db2.gz GNIAKURJTURPGG-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000218937701 388597658 /nfs/dbraw/zinc/59/76/58/388597658.db2.gz GNIAKURJTURPGG-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000218938428 388597803 /nfs/dbraw/zinc/59/78/03/388597803.db2.gz GNIAKURJTURPGG-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000218938489 324431696 /nfs/dbraw/zinc/43/16/96/324431696.db2.gz GNIAKURJTURPGG-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C=CCCC2)C1 ZINC000218944149 256853685 /nfs/dbraw/zinc/85/36/85/256853685.db2.gz ZOFKMGIPJYYBFX-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C=CCCC2)C1 ZINC000218944252 259403432 /nfs/dbraw/zinc/40/34/32/259403432.db2.gz ZOFKMGIPJYYBFX-HZSPNIEDSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218959333 388586851 /nfs/dbraw/zinc/58/68/51/388586851.db2.gz QYGMLEIHYUATFY-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218959420 388586257 /nfs/dbraw/zinc/58/62/57/388586257.db2.gz QYGMLEIHYUATFY-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218962853 134268889 /nfs/dbraw/zinc/26/88/89/134268889.db2.gz WFIHQESHPAKSTI-CQSZACIVSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C)CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218962894 350108966 /nfs/dbraw/zinc/10/89/66/350108966.db2.gz WFIHQESHPAKSTI-AWEZNQCLSA-N 1 0 242.366 3.836 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000218966617 256853762 /nfs/dbraw/zinc/85/37/62/256853762.db2.gz OELPDDMMQMTZRR-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218976603 256853593 /nfs/dbraw/zinc/85/35/93/256853593.db2.gz BUGZRYJNRNQKCF-UHFFFAOYSA-N 1 0 244.382 3.940 20 0 BHADRO CC(C)C(C)(C)C[NH2+]C[C@@H]1CC=CCC1 ZINC000218976944 256853768 /nfs/dbraw/zinc/85/37/68/256853768.db2.gz OPOJTGRFKGYXCT-CYBMUJFWSA-N 1 0 209.377 3.615 20 0 BHADRO CC(C)C(C)(C)C[NH2+]C[C@H]1CC=CCC1 ZINC000218976981 388586768 /nfs/dbraw/zinc/58/67/68/388586768.db2.gz OPOJTGRFKGYXCT-ZDUSSCGKSA-N 1 0 209.377 3.615 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccccc1F ZINC000218977027 388586647 /nfs/dbraw/zinc/58/66/47/388586647.db2.gz QOADAHJTFRPBNM-UHFFFAOYSA-N 1 0 223.335 3.598 20 0 BHADRO COCc1cccc(C[NH2+]CC(C)(C)C(C)C)c1 ZINC000218977716 388586765 /nfs/dbraw/zinc/58/67/65/388586765.db2.gz FHSGPYVCGZHCFW-UHFFFAOYSA-N 1 0 249.398 3.605 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C(C)C)s1 ZINC000218977767 388586923 /nfs/dbraw/zinc/58/69/23/388586923.db2.gz KAWRXJHKUBZLIS-UHFFFAOYSA-N 1 0 225.401 3.828 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ncc(Cl)s1 ZINC000218979045 363133446 /nfs/dbraw/zinc/13/34/46/363133446.db2.gz YNWHVDDAJNEYGV-UHFFFAOYSA-N 1 0 246.807 3.568 20 0 BHADRO Cc1ccsc1C[NH2+]CC(C)(C)C(C)C ZINC000218979635 388586498 /nfs/dbraw/zinc/58/64/98/388586498.db2.gz BBXQWZZKOVOOPI-UHFFFAOYSA-N 1 0 225.401 3.828 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218979989 256619921 /nfs/dbraw/zinc/61/99/21/256619921.db2.gz MQNMHFFACMLNKV-UHFFFAOYSA-N 1 0 244.382 3.940 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccc(F)cc1 ZINC000218980383 388586448 /nfs/dbraw/zinc/58/64/48/388586448.db2.gz QQVVROWQWRHZIE-UHFFFAOYSA-N 1 0 223.335 3.598 20 0 BHADRO COCc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1 ZINC000218980713 388586757 /nfs/dbraw/zinc/58/67/57/388586757.db2.gz INJICURGGSQLMD-UHFFFAOYSA-N 1 0 249.398 3.605 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)C(C)C)o1 ZINC000218981301 386123746 /nfs/dbraw/zinc/12/37/46/386123746.db2.gz VOAXXFTZUZMVQZ-UHFFFAOYSA-N 1 0 223.360 3.614 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cccc(F)c1 ZINC000218981530 256853463 /nfs/dbraw/zinc/85/34/63/256853463.db2.gz ROSFDURFKHRJRG-UHFFFAOYSA-N 1 0 223.335 3.598 20 0 BHADRO CCCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000219102822 355333427 /nfs/dbraw/zinc/33/34/27/355333427.db2.gz SAQFASDSOQVYFT-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000219153793 259429391 /nfs/dbraw/zinc/42/93/91/259429391.db2.gz OJOMOXQQXSJPLF-LOWVWBTDSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000219153860 491082687 /nfs/dbraw/zinc/08/26/87/491082687.db2.gz OJOMOXQQXSJPLF-DMDPSCGWSA-N 1 0 235.396 3.715 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000219158807 535371061 /nfs/dbraw/zinc/37/10/61/535371061.db2.gz QFXFZIIZYMARFZ-AWEZNQCLSA-N 1 0 217.356 3.564 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1ccccc1 ZINC000219158886 535371190 /nfs/dbraw/zinc/37/11/90/535371190.db2.gz QFXFZIIZYMARFZ-CQSZACIVSA-N 1 0 217.356 3.564 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000219167466 535371259 /nfs/dbraw/zinc/37/12/59/535371259.db2.gz VEEBZTOGBHMQOS-OAHLLOKOSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCc2ccccc21 ZINC000219167546 134274802 /nfs/dbraw/zinc/27/48/02/134274802.db2.gz VEEBZTOGBHMQOS-HNNXBMFYSA-N 1 0 215.340 3.620 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000219180932 355426055 /nfs/dbraw/zinc/42/60/55/355426055.db2.gz YZIZZVCIKJVFAH-VXGBXAGGSA-N 1 0 241.425 3.512 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000219181603 355426118 /nfs/dbraw/zinc/42/61/18/355426118.db2.gz VKCVFXODODDALZ-VXGBXAGGSA-N 1 0 241.425 3.512 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccc(F)c1 ZINC000219195718 350116911 /nfs/dbraw/zinc/11/69/11/350116911.db2.gz DFAVXTLLXBWBNT-CYBMUJFWSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cccc(F)c1 ZINC000219195791 134274687 /nfs/dbraw/zinc/27/46/87/134274687.db2.gz DFAVXTLLXBWBNT-ZDUSSCGKSA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000219196558 388588524 /nfs/dbraw/zinc/58/85/24/388588524.db2.gz YUHZZMICQJQWOY-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1(C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000219196636 388588761 /nfs/dbraw/zinc/58/87/61/388588761.db2.gz YUHZZMICQJQWOY-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CC1(C)CCC1 ZINC000219196762 388588606 /nfs/dbraw/zinc/58/86/06/388588606.db2.gz JFDFFFBNILCPKK-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CC1(C)CCC1 ZINC000219196838 388588857 /nfs/dbraw/zinc/58/88/57/388588857.db2.gz JFDFFFBNILCPKK-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000219197443 388589770 /nfs/dbraw/zinc/58/97/70/388589770.db2.gz YAVRTCUXZWAHPY-ZDUSSCGKSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000219197528 388589263 /nfs/dbraw/zinc/58/92/63/388589263.db2.gz YAVRTCUXZWAHPY-CYBMUJFWSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000219199131 256855949 /nfs/dbraw/zinc/85/59/49/256855949.db2.gz OACYUAUGINXCDQ-KOLCDFICSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000219199206 388589662 /nfs/dbraw/zinc/58/96/62/388589662.db2.gz OACYUAUGINXCDQ-ONGXEEELSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000219199292 388589135 /nfs/dbraw/zinc/58/91/35/388589135.db2.gz OACYUAUGINXCDQ-MWLCHTKSSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000219199377 256855905 /nfs/dbraw/zinc/85/59/05/256855905.db2.gz OACYUAUGINXCDQ-GXSJLCMTSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CCC1=CCCC1 ZINC000219202829 388589553 /nfs/dbraw/zinc/58/95/53/388589553.db2.gz PJYBLQQIESLOMO-ZDUSSCGKSA-N 1 0 247.357 3.847 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CCC1=CCCC1 ZINC000219202898 386580346 /nfs/dbraw/zinc/58/03/46/386580346.db2.gz PJYBLQQIESLOMO-CYBMUJFWSA-N 1 0 247.357 3.847 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000219215140 388589336 /nfs/dbraw/zinc/58/93/36/388589336.db2.gz KFHCJIPZRIALCY-LBPRGKRZSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000219215217 386583617 /nfs/dbraw/zinc/58/36/17/386583617.db2.gz KFHCJIPZRIALCY-GFCCVEGCSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)=CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000219222551 388589524 /nfs/dbraw/zinc/58/95/24/388589524.db2.gz PTAYDPALKINXNX-UHFFFAOYSA-N 1 0 243.272 3.761 20 0 BHADRO CCc1cnc(CN[C@@H](C)c2ccccc2)s1 ZINC000219248181 350118699 /nfs/dbraw/zinc/11/86/99/350118699.db2.gz OENCTLISHMPMKM-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cnc(CN[C@H](C)c2ccccc2)s1 ZINC000219248243 350118444 /nfs/dbraw/zinc/11/84/44/350118444.db2.gz OENCTLISHMPMKM-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C[C@@H]1CCC=CO1 ZINC000219259690 592220592 /nfs/dbraw/zinc/22/05/92/592220592.db2.gz SSUZSMCZQGPASJ-KGLIPLIRSA-N 1 0 225.376 3.628 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C[C@H]1CCC=CO1 ZINC000219259856 592220904 /nfs/dbraw/zinc/22/09/04/592220904.db2.gz SSUZSMCZQGPASJ-UONOGXRCSA-N 1 0 225.376 3.628 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219267590 345745489 /nfs/dbraw/zinc/74/54/89/345745489.db2.gz SRVZRLSCYJFDAW-HNNXBMFYSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219267641 342853206 /nfs/dbraw/zinc/85/32/06/342853206.db2.gz SRVZRLSCYJFDAW-OAHLLOKOSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000219267659 388656090 /nfs/dbraw/zinc/65/60/90/388656090.db2.gz DKJGUPGZUQLDOP-ZDUSSCGKSA-N 1 0 237.387 3.873 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)CCc1ccco1 ZINC000219267707 388656302 /nfs/dbraw/zinc/65/63/02/388656302.db2.gz DKJGUPGZUQLDOP-CYBMUJFWSA-N 1 0 237.387 3.873 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000219271374 385923616 /nfs/dbraw/zinc/92/36/16/385923616.db2.gz IEETXLCINDWWHS-NSHDSACASA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000219271422 385924164 /nfs/dbraw/zinc/92/41/64/385924164.db2.gz IEETXLCINDWWHS-LLVKDONJSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000219273074 388590287 /nfs/dbraw/zinc/59/02/87/388590287.db2.gz RNOBHPYXKQZVPA-GFCCVEGCSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000219273118 388590169 /nfs/dbraw/zinc/59/01/69/388590169.db2.gz RNOBHPYXKQZVPA-LBPRGKRZSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC(C)(C)C(C)C)cs1 ZINC000219273255 134277073 /nfs/dbraw/zinc/27/70/73/134277073.db2.gz UUPGPYGUGUWYPS-SNVBAGLBSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC(C)(C)C(C)C)cs1 ZINC000219273299 134277114 /nfs/dbraw/zinc/27/71/14/134277114.db2.gz UUPGPYGUGUWYPS-JTQLQIEISA-N 1 0 240.416 3.784 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)C)o1 ZINC000219274224 388590213 /nfs/dbraw/zinc/59/02/13/388590213.db2.gz HAAVDDPILCNQPP-GFCCVEGCSA-N 1 0 223.360 3.921 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(C)C)o1 ZINC000219274273 388590713 /nfs/dbraw/zinc/59/07/13/388590713.db2.gz HAAVDDPILCNQPP-LBPRGKRZSA-N 1 0 223.360 3.921 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3occc32)CCC1 ZINC000219282155 535296379 /nfs/dbraw/zinc/29/63/79/535296379.db2.gz RBYICSLEWPFLIC-CYBMUJFWSA-N 1 0 233.355 3.827 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3occc32)CCC1 ZINC000219282194 134277272 /nfs/dbraw/zinc/27/72/72/134277272.db2.gz RBYICSLEWPFLIC-ZDUSSCGKSA-N 1 0 233.355 3.827 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c(C)o1 ZINC000219285636 134277166 /nfs/dbraw/zinc/27/71/66/134277166.db2.gz CCIOZJYJUNTLHY-PWSUYJOCSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c(C)o1 ZINC000219285668 134277258 /nfs/dbraw/zinc/27/72/58/134277258.db2.gz CCIOZJYJUNTLHY-JQWIXIFHSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c(C)o1 ZINC000219285700 134277054 /nfs/dbraw/zinc/27/70/54/134277054.db2.gz CCIOZJYJUNTLHY-ZYHUDNBSSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC2(C)C)c(C)o1 ZINC000219285733 134277029 /nfs/dbraw/zinc/27/70/29/134277029.db2.gz CCIOZJYJUNTLHY-CMPLNLGQSA-N 1 0 221.344 3.593 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000219287510 134277567 /nfs/dbraw/zinc/27/75/67/134277567.db2.gz KLONKNJQRPSCFF-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000219287548 535297772 /nfs/dbraw/zinc/29/77/72/535297772.db2.gz KLONKNJQRPSCFF-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CCC2)c(C)o1 ZINC000219287609 350120031 /nfs/dbraw/zinc/12/00/31/350120031.db2.gz XHRZMOQJHKFQLA-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CCC2)c(C)o1 ZINC000219287643 133523344 /nfs/dbraw/zinc/52/33/44/133523344.db2.gz XHRZMOQJHKFQLA-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C(C)C)CC2)c(C)o1 ZINC000219287714 350120091 /nfs/dbraw/zinc/12/00/91/350120091.db2.gz PVSDFAPJMVNXJF-GFCCVEGCSA-N 1 0 235.371 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C(C)C)CC2)c(C)o1 ZINC000219287742 350120239 /nfs/dbraw/zinc/12/02/39/350120239.db2.gz PVSDFAPJMVNXJF-LBPRGKRZSA-N 1 0 235.371 3.983 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000219287875 350120079 /nfs/dbraw/zinc/12/00/79/350120079.db2.gz UGCURSGGVGGBGM-CYBMUJFWSA-N 1 0 233.355 3.683 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000219287907 133523042 /nfs/dbraw/zinc/52/30/42/133523042.db2.gz UGCURSGGVGGBGM-ZDUSSCGKSA-N 1 0 233.355 3.683 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000219288826 350120210 /nfs/dbraw/zinc/12/02/10/350120210.db2.gz SMPJBEIZBKQOHI-CYBMUJFWSA-N 1 0 233.355 3.827 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000219288858 133523084 /nfs/dbraw/zinc/52/30/84/133523084.db2.gz SMPJBEIZBKQOHI-ZDUSSCGKSA-N 1 0 233.355 3.827 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C3CC3)CC2)c(C)o1 ZINC000219289012 133523168 /nfs/dbraw/zinc/52/31/68/133523168.db2.gz RJOUMKRBPXNRCG-LLVKDONJSA-N 1 0 233.355 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)c(C)o1 ZINC000219289045 133523097 /nfs/dbraw/zinc/52/30/97/133523097.db2.gz RJOUMKRBPXNRCG-NSHDSACASA-N 1 0 233.355 3.737 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000219301145 383941396 /nfs/dbraw/zinc/94/13/96/383941396.db2.gz KEXQXXYDKCCKQL-IVZWLZJFSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000219301196 388590329 /nfs/dbraw/zinc/59/03/29/388590329.db2.gz KEXQXXYDKCCKQL-AEJSXWLSSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H]1CCCc2occc21 ZINC000219302445 134281394 /nfs/dbraw/zinc/28/13/94/134281394.db2.gz AJQNVDLTGMIUHD-CYBMUJFWSA-N 1 0 235.371 3.929 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000219302475 134281630 /nfs/dbraw/zinc/28/16/30/134281630.db2.gz AJQNVDLTGMIUHD-ZDUSSCGKSA-N 1 0 235.371 3.929 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000219330320 592223059 /nfs/dbraw/zinc/22/30/59/592223059.db2.gz WFKZBYJORPXTPA-GUIRCDHDSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000219337249 583174874 /nfs/dbraw/zinc/17/48/74/583174874.db2.gz MGCGXKYQKUCSMB-MJBXVCDLSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000219337326 592222689 /nfs/dbraw/zinc/22/26/89/592222689.db2.gz MGCGXKYQKUCSMB-BFHYXJOUSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000219354197 388591129 /nfs/dbraw/zinc/59/11/29/388591129.db2.gz GTOKZVGXEPDHJP-NSHDSACASA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccccc1Cl ZINC000219354276 388591214 /nfs/dbraw/zinc/59/12/14/388591214.db2.gz GTOKZVGXEPDHJP-LLVKDONJSA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000219354374 256857755 /nfs/dbraw/zinc/85/77/55/256857755.db2.gz KSYCNCWRPIUVBS-NSHDSACASA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000219354441 388591225 /nfs/dbraw/zinc/59/12/25/388591225.db2.gz KSYCNCWRPIUVBS-LLVKDONJSA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000219354540 256857078 /nfs/dbraw/zinc/85/70/78/256857078.db2.gz JZLZSIUDHMDYKO-NSHDSACASA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000219354611 388591080 /nfs/dbraw/zinc/59/10/80/388591080.db2.gz JZLZSIUDHMDYKO-LLVKDONJSA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000219355628 388591207 /nfs/dbraw/zinc/59/12/07/388591207.db2.gz FVBXCVOECHLXOP-AWEZNQCLSA-N 1 0 217.356 3.920 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000219355705 388591220 /nfs/dbraw/zinc/59/12/20/388591220.db2.gz FVBXCVOECHLXOP-CQSZACIVSA-N 1 0 217.356 3.920 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219395171 592223561 /nfs/dbraw/zinc/22/35/61/592223561.db2.gz WUGKWBOXRZFWQR-JHJVBQTASA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](CC[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000219406870 358001128 /nfs/dbraw/zinc/00/11/28/358001128.db2.gz ARHYBPKFCCMLJL-ZDUSSCGKSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000219406954 358001383 /nfs/dbraw/zinc/00/13/83/358001383.db2.gz ARHYBPKFCCMLJL-CYBMUJFWSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)=CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000219421219 385930429 /nfs/dbraw/zinc/93/04/29/385930429.db2.gz RWNQCGSETKNASR-OAHLLOKOSA-N 1 0 217.356 3.940 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000219421287 256858274 /nfs/dbraw/zinc/85/82/74/256858274.db2.gz RWNQCGSETKNASR-HNNXBMFYSA-N 1 0 217.356 3.940 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000219423630 592224299 /nfs/dbraw/zinc/22/42/99/592224299.db2.gz SIXGLAOCMPVWHC-BPLDGKMQSA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000219423771 583174912 /nfs/dbraw/zinc/17/49/12/583174912.db2.gz SIXGLAOCMPVWHC-VHDGCEQUSA-N 1 0 249.423 3.664 20 0 BHADRO CC(C)C1(C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000219433005 388592414 /nfs/dbraw/zinc/59/24/14/388592414.db2.gz OKFIXQFFHFONTC-CQSZACIVSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)C1(C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000219433050 256858267 /nfs/dbraw/zinc/85/82/67/256858267.db2.gz OKFIXQFFHFONTC-AWEZNQCLSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@@H](CC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000219433781 134285421 /nfs/dbraw/zinc/28/54/21/134285421.db2.gz ZSHFIQRQUCOOLR-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H](CC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000219433846 350126796 /nfs/dbraw/zinc/12/67/96/350126796.db2.gz ZSHFIQRQUCOOLR-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CCC1(C[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000219434608 388591813 /nfs/dbraw/zinc/59/18/13/388591813.db2.gz VSKMMCFIUMHGBW-CQSZACIVSA-N 1 0 231.383 3.960 20 0 BHADRO CCC1(C[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000219434689 388591951 /nfs/dbraw/zinc/59/19/51/388591951.db2.gz VSKMMCFIUMHGBW-AWEZNQCLSA-N 1 0 231.383 3.960 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000219435218 188178992 /nfs/dbraw/zinc/17/89/92/188178992.db2.gz XEXZOCGLAOXSCX-OAHLLOKOSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000219435294 188179327 /nfs/dbraw/zinc/17/93/27/188179327.db2.gz XEXZOCGLAOXSCX-HNNXBMFYSA-N 1 0 244.338 3.552 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000219438216 388591586 /nfs/dbraw/zinc/59/15/86/388591586.db2.gz KOAUGKDXQAITOD-GOEBONIOSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000219438275 388592434 /nfs/dbraw/zinc/59/24/34/388592434.db2.gz KOAUGKDXQAITOD-GDBMZVCRSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000219438349 256858478 /nfs/dbraw/zinc/85/84/78/256858478.db2.gz KOAUGKDXQAITOD-HOCLYGCPSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](CC[NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000219438420 388592461 /nfs/dbraw/zinc/59/24/61/388592461.db2.gz KOAUGKDXQAITOD-ZBFHGGJFSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@@H](CC[NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000219439028 388591829 /nfs/dbraw/zinc/59/18/29/388591829.db2.gz BSWOOAGCRMIIHW-AWEZNQCLSA-N 1 0 243.394 3.960 20 0 BHADRO C[C@H](CC[NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000219439112 388591648 /nfs/dbraw/zinc/59/16/48/388591648.db2.gz BSWOOAGCRMIIHW-CQSZACIVSA-N 1 0 243.394 3.960 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000219465289 256858472 /nfs/dbraw/zinc/85/84/72/256858472.db2.gz YUISDYIPHSQWKK-MGPQQGTHSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000219465420 322812722 /nfs/dbraw/zinc/81/27/22/322812722.db2.gz YUISDYIPHSQWKK-HZSPNIEDSA-N 1 0 241.444 3.686 20 0 BHADRO C[N@H+](CCc1ccccc1)C1CCCCCC1 ZINC000219465952 345745681 /nfs/dbraw/zinc/74/56/81/345745681.db2.gz IMHAKUJUMMFJCK-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219475026 398091456 /nfs/dbraw/zinc/09/14/56/398091456.db2.gz SXLPCJMDDPTYEU-RBSFLKMASA-N 1 0 221.388 3.759 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219475175 388592992 /nfs/dbraw/zinc/59/29/92/388592992.db2.gz SXLPCJMDDPTYEU-KFWWJZLASA-N 1 0 221.388 3.759 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000219512579 387906842 /nfs/dbraw/zinc/90/68/42/387906842.db2.gz AILSNXJEEGRSKB-UHFFFAOYSA-N 1 0 243.272 3.761 20 0 BHADRO CC1([NH2+]Cc2cccc3cc[nH]c32)CCCCC1 ZINC000219591766 256861698 /nfs/dbraw/zinc/86/16/98/256861698.db2.gz FAWSNOPSQWHYSN-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CC1([NH2+]Cc2cccc3cc[nH]c32)CCCC1 ZINC000219592117 168063681 /nfs/dbraw/zinc/06/36/81/168063681.db2.gz MAFOTVUWULQVKV-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000219596520 388596490 /nfs/dbraw/zinc/59/64/90/388596490.db2.gz LZQSBRFZMBYFCR-JHJVBQTASA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219628325 388598155 /nfs/dbraw/zinc/59/81/55/388598155.db2.gz LFIZFOIMBIESBW-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000219630258 134288953 /nfs/dbraw/zinc/28/89/53/134288953.db2.gz KROHGOTYSZUBRC-GMTAPVOTSA-N 1 0 238.400 3.618 20 0 BHADRO COc1ccc([C@@H]([NH2+]CC=C(C)C)C2CC2)cc1 ZINC000219788972 592245701 /nfs/dbraw/zinc/24/57/01/592245701.db2.gz FURHTLJBWOKLGX-INIZCTEOSA-N 1 0 245.366 3.702 20 0 BHADRO COc1ccc([C@H]([NH2+]CC=C(C)C)C2CC2)cc1 ZINC000219789038 592245354 /nfs/dbraw/zinc/24/53/54/592245354.db2.gz FURHTLJBWOKLGX-MRXNPFEDSA-N 1 0 245.366 3.702 20 0 BHADRO CC(C)=CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000219790324 592245663 /nfs/dbraw/zinc/24/56/63/592245663.db2.gz XEMWQYDBFJHZMY-HNNXBMFYSA-N 1 0 215.340 3.694 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000219790406 535371066 /nfs/dbraw/zinc/37/10/66/535371066.db2.gz XEMWQYDBFJHZMY-OAHLLOKOSA-N 1 0 215.340 3.694 20 0 BHADRO CC(C)=CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000219791411 324182620 /nfs/dbraw/zinc/18/26/20/324182620.db2.gz JWGDNQTVSWUPAV-CYBMUJFWSA-N 1 0 221.369 3.755 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000219791491 388597507 /nfs/dbraw/zinc/59/75/07/388597507.db2.gz JWGDNQTVSWUPAV-ZDUSSCGKSA-N 1 0 221.369 3.755 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000220098197 342908964 /nfs/dbraw/zinc/90/89/64/342908964.db2.gz AMAKTCUMRHYBQA-FSIBCCDJSA-N 1 0 209.720 3.567 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)C1CCCCC1 ZINC000220328524 388604036 /nfs/dbraw/zinc/60/40/36/388604036.db2.gz LJZWOROKHUUZKQ-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000220407533 490599277 /nfs/dbraw/zinc/59/92/77/490599277.db2.gz ULCLVTQWAOOBMH-GBIKHYSHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000220407674 490599275 /nfs/dbraw/zinc/59/92/75/490599275.db2.gz ULCLVTQWAOOBMH-NRUUGDAUSA-N 1 0 236.359 3.521 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1(C)CC1 ZINC000220492526 592313623 /nfs/dbraw/zinc/31/36/23/592313623.db2.gz URPHBYFYKZASHC-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000220499896 592313498 /nfs/dbraw/zinc/31/34/98/592313498.db2.gz GVAZWUNYQNLWPY-AAEUAGOBSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000220499952 592312956 /nfs/dbraw/zinc/31/29/56/592312956.db2.gz GVAZWUNYQNLWPY-YPMHNXCESA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000220500004 592314074 /nfs/dbraw/zinc/31/40/74/592314074.db2.gz GVAZWUNYQNLWPY-WCQYABFASA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000220500081 592312790 /nfs/dbraw/zinc/31/27/90/592312790.db2.gz GVAZWUNYQNLWPY-DGCLKSJQSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000220500743 490602781 /nfs/dbraw/zinc/60/27/81/490602781.db2.gz HSALYQUEQONNDV-TUKIKUTGSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000220500882 490602881 /nfs/dbraw/zinc/60/28/81/490602881.db2.gz HSALYQUEQONNDV-NILFDRSVSA-N 1 0 247.407 3.548 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc1 ZINC000220510598 490603493 /nfs/dbraw/zinc/60/34/93/490603493.db2.gz UXCQVWIOEXBNLM-YWPYICTPSA-N 1 0 249.423 3.794 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc1 ZINC000220510743 490603576 /nfs/dbraw/zinc/60/35/76/490603576.db2.gz UXCQVWIOEXBNLM-ZOWXZIJZSA-N 1 0 249.423 3.794 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000220513267 490604389 /nfs/dbraw/zinc/60/43/89/490604389.db2.gz RWUBGOXNIWLFLU-OUCADQQQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000220513386 490604245 /nfs/dbraw/zinc/60/42/45/490604245.db2.gz RWUBGOXNIWLFLU-SCRDCRAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000220514415 490604399 /nfs/dbraw/zinc/60/43/99/490604399.db2.gz KFPKGQYZMGWINH-GZBFAFLISA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000220514535 490604917 /nfs/dbraw/zinc/60/49/17/490604917.db2.gz KFPKGQYZMGWINH-GUTXKFCHSA-N 1 0 249.423 3.848 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(C)cc1 ZINC000220517357 490605143 /nfs/dbraw/zinc/60/51/43/490605143.db2.gz SYJRMRQQGLYXMS-VHDGCEQUSA-N 1 0 249.423 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(C)cc1 ZINC000220517506 490605026 /nfs/dbraw/zinc/60/50/26/490605026.db2.gz SYJRMRQQGLYXMS-SNPRPXQTSA-N 1 0 249.423 3.930 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000220530684 490607672 /nfs/dbraw/zinc/60/76/72/490607672.db2.gz IPKQINOZCNWZNV-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000220530817 490607464 /nfs/dbraw/zinc/60/74/64/490607464.db2.gz IPKQINOZCNWZNV-XQQFMLRXSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000220542221 384851139 /nfs/dbraw/zinc/85/11/39/384851139.db2.gz IUGNCHCTOPEYOD-PYLOOKDKSA-N 1 0 229.367 3.868 20 0 BHADRO Fc1ccccc1C[NH2+]C/C=C\c1ccccc1 ZINC000220543852 388604799 /nfs/dbraw/zinc/60/47/99/388604799.db2.gz JIMQTYYACYVLOK-TWGQIWQCSA-N 1 0 241.309 3.629 20 0 BHADRO CC(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000220544266 384855847 /nfs/dbraw/zinc/85/58/47/384855847.db2.gz CYVKUFYJYPYMKC-XFFZJAGNSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2)o1 ZINC000220544653 388604884 /nfs/dbraw/zinc/60/48/84/388604884.db2.gz RQGASSJLRGPZEH-DEBLGDTFSA-N 1 0 241.334 3.952 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2)o1 ZINC000220544717 256868069 /nfs/dbraw/zinc/86/80/69/256868069.db2.gz RQGASSJLRGPZEH-PIZKADEWSA-N 1 0 241.334 3.952 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000220545814 592314984 /nfs/dbraw/zinc/31/49/84/592314984.db2.gz QKULOWRYUCOXPL-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000220545957 592314724 /nfs/dbraw/zinc/31/47/24/592314724.db2.gz QKULOWRYUCOXPL-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@H]1CC=CCC1 ZINC000220546012 256867579 /nfs/dbraw/zinc/86/75/79/256867579.db2.gz XPEMNQPNHWTLPB-FGLWMGOFSA-N 1 0 227.351 3.646 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CC=CCC1 ZINC000220546084 388605114 /nfs/dbraw/zinc/60/51/14/388605114.db2.gz XPEMNQPNHWTLPB-JQPKSGMCSA-N 1 0 227.351 3.646 20 0 BHADRO Cc1ccc(C[NH2+]C/C=C\c2ccccc2)s1 ZINC000220549405 256868226 /nfs/dbraw/zinc/86/82/26/256868226.db2.gz QRCXVDXAIKWOJZ-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO CCC[C@@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC000220549661 259310473 /nfs/dbraw/zinc/31/04/73/259310473.db2.gz MBWNAJMWXLGYLI-LDCOFTPGSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC000220549736 388605148 /nfs/dbraw/zinc/60/51/48/388605148.db2.gz MBWNAJMWXLGYLI-PINLSGDHSA-N 1 0 217.356 3.868 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220550506 490610220 /nfs/dbraw/zinc/61/02/20/490610220.db2.gz WESGAXFYUUERGJ-YUELXQCFSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220550629 490609975 /nfs/dbraw/zinc/60/99/75/490609975.db2.gz WESGAXFYUUERGJ-SNPRPXQTSA-N 1 0 249.423 3.867 20 0 BHADRO Cc1ccccc1C[NH2+]C/C=C\c1ccccc1 ZINC000220551641 388604947 /nfs/dbraw/zinc/60/49/47/388604947.db2.gz ZSHQVARYDBNGMS-XFFZJAGNSA-N 1 0 237.346 3.798 20 0 BHADRO CCCC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000220552230 256867584 /nfs/dbraw/zinc/86/75/84/256867584.db2.gz RWUWKOIXGMXDPE-ICDLMJIXSA-N 1 0 217.356 3.868 20 0 BHADRO CCCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000220552303 388606579 /nfs/dbraw/zinc/60/65/79/388606579.db2.gz RWUWKOIXGMXDPE-UNJUUPHPSA-N 1 0 217.356 3.868 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000220552471 491133326 /nfs/dbraw/zinc/13/33/26/491133326.db2.gz RBJKLFLJQRNCEW-CQDKDKBSSA-N 1 0 247.407 3.621 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000220552605 491133354 /nfs/dbraw/zinc/13/33/54/491133354.db2.gz RBJKLFLJQRNCEW-GLQYFDAESA-N 1 0 247.407 3.621 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CCC1CCCC1 ZINC000220553032 388605563 /nfs/dbraw/zinc/60/55/63/388605563.db2.gz UXGKJZPVZJYNMZ-WDZFZDKYSA-N 1 0 229.367 3.870 20 0 BHADRO CC1([NH2+]C/C=C\c2ccccc2)CCCC1 ZINC000220553322 256868149 /nfs/dbraw/zinc/86/81/49/256868149.db2.gz HMXMUQCKPNNUKD-YFHOEESVSA-N 1 0 215.340 3.622 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000220557611 388605863 /nfs/dbraw/zinc/60/58/63/388605863.db2.gz TXTZFAPVNLTKKQ-MWGCNAMGSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000220558366 388606078 /nfs/dbraw/zinc/60/60/78/388606078.db2.gz PETHUGNPIWSWEI-OQXBOSRRSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccccc1)C(C)C ZINC000220562199 388605546 /nfs/dbraw/zinc/60/55/46/388605546.db2.gz ILLOOISHJNSQMH-QIENPNARSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\c1ccccc1)C(C)C ZINC000220562265 388605797 /nfs/dbraw/zinc/60/57/97/388605797.db2.gz ILLOOISHJNSQMH-MEODZPNASA-N 1 0 217.356 3.724 20 0 BHADRO CC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000220565158 344552145 /nfs/dbraw/zinc/55/21/45/344552145.db2.gz MXOZQHLTEYLLIH-YVMONPNESA-N 1 0 229.367 3.868 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1ccc(Cl)s1 ZINC000220594766 388606010 /nfs/dbraw/zinc/60/60/10/388606010.db2.gz YLTOLBVULNMZJU-UHFFFAOYSA-N 1 0 245.819 3.970 20 0 BHADRO CC(C)CCC[NH2+]CCc1ccc(Cl)s1 ZINC000220594850 322868537 /nfs/dbraw/zinc/86/85/37/322868537.db2.gz NHXFSNZPHNGYBZ-UHFFFAOYSA-N 1 0 245.819 3.970 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc1 ZINC000220599591 490052108 /nfs/dbraw/zinc/05/21/08/490052108.db2.gz YQVISLXVENNCMI-OUCADQQQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc1 ZINC000220599723 490226635 /nfs/dbraw/zinc/22/66/35/490226635.db2.gz YQVISLXVENNCMI-SCRDCRAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c(C)c1 ZINC000220603605 490054529 /nfs/dbraw/zinc/05/45/29/490054529.db2.gz UFXXQWOUWOECHW-GZBFAFLISA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c(C)c1 ZINC000220603740 490054572 /nfs/dbraw/zinc/05/45/72/490054572.db2.gz UFXXQWOUWOECHW-GUTXKFCHSA-N 1 0 249.423 3.848 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cccs1 ZINC000220612363 490063590 /nfs/dbraw/zinc/06/35/90/490063590.db2.gz NXCCUEVTYKNIOP-OUAUKWLOSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccs1 ZINC000220612486 490063713 /nfs/dbraw/zinc/06/37/13/490063713.db2.gz NXCCUEVTYKNIOP-VWYCJHECSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220616957 583176724 /nfs/dbraw/zinc/17/67/24/583176724.db2.gz HFYRFFJBZFBTCH-XJFOESAGSA-N 1 0 235.371 3.625 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)s1 ZINC000220619091 491083281 /nfs/dbraw/zinc/08/32/81/491083281.db2.gz INWACEWSNSKFPZ-HBNTYKKESA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)s1 ZINC000220619225 490063805 /nfs/dbraw/zinc/06/38/05/490063805.db2.gz INWACEWSNSKFPZ-AXFHLTTASA-N 1 0 241.425 3.601 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000220621958 490063533 /nfs/dbraw/zinc/06/35/33/490063533.db2.gz IHSCEXCOXAQFNB-BLYZHGLHSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000220622029 490063644 /nfs/dbraw/zinc/06/36/44/490063644.db2.gz IHSCEXCOXAQFNB-RYSNWHEDSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000220622102 490067777 /nfs/dbraw/zinc/06/77/77/490067777.db2.gz IHSCEXCOXAQFNB-GFJIZPEISA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000220622167 490068046 /nfs/dbraw/zinc/06/80/46/490068046.db2.gz IHSCEXCOXAQFNB-ABXWRUBCSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CCS[C@@H]2C)cc1 ZINC000220623512 490068133 /nfs/dbraw/zinc/06/81/33/490068133.db2.gz XBAAZTXWHNHMDV-IUODEOHRSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CCS[C@@H]2C)cc1 ZINC000220623582 490067691 /nfs/dbraw/zinc/06/76/91/490067691.db2.gz XBAAZTXWHNHMDV-DOMZBBRYSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CCS[C@H]2C)cc1 ZINC000220623641 490067885 /nfs/dbraw/zinc/06/78/85/490067885.db2.gz XBAAZTXWHNHMDV-SWLSCSKDSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CCS[C@H]2C)cc1 ZINC000220623701 490068070 /nfs/dbraw/zinc/06/80/70/490068070.db2.gz XBAAZTXWHNHMDV-WFASDCNBSA-N 1 0 249.423 3.794 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220640986 491100665 /nfs/dbraw/zinc/10/06/65/491100665.db2.gz WWPZLZIQERYDMR-KWCYVHTRSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220641103 491100674 /nfs/dbraw/zinc/10/06/74/491100674.db2.gz WWPZLZIQERYDMR-XBFCOCLRSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000220643259 388606003 /nfs/dbraw/zinc/60/60/03/388606003.db2.gz SZZSSWRIHOLODV-QVHKTLOISA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000220643326 388605838 /nfs/dbraw/zinc/60/58/38/388605838.db2.gz SZZSSWRIHOLODV-COMQUAJESA-N 1 0 247.382 3.868 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1CCCCC1 ZINC000220668781 592322043 /nfs/dbraw/zinc/32/20/43/592322043.db2.gz QOVLGERLAXFTAD-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)C1CCCCC1 ZINC000220668908 592321805 /nfs/dbraw/zinc/32/18/05/592321805.db2.gz QOVLGERLAXFTAD-XBFCOCLRSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220671703 490151024 /nfs/dbraw/zinc/15/10/24/490151024.db2.gz CDNDZOYKSOKHCC-UMVBOHGHSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCS[C@@H]1C)c1ccccc1 ZINC000220671848 491110110 /nfs/dbraw/zinc/11/01/10/491110110.db2.gz CDNDZOYKSOKHCC-NFAWXSAZSA-N 1 0 249.423 3.664 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000220676114 491110959 /nfs/dbraw/zinc/11/09/59/491110959.db2.gz UVPBIAYWIUWULF-RQJABVFESA-N 1 0 241.444 3.685 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000220676161 134311556 /nfs/dbraw/zinc/31/15/56/134311556.db2.gz WCFNBLZGYRFCTJ-NTZNESFSSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000220676284 134311874 /nfs/dbraw/zinc/31/18/74/134311874.db2.gz WCFNBLZGYRFCTJ-GMXVVIOVSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220683400 388605643 /nfs/dbraw/zinc/60/56/43/388605643.db2.gz HIITUSDZZZIPBL-GFQSEFKGSA-N 1 0 209.377 3.589 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C2CCSCC2)CC1 ZINC000220684458 358046891 /nfs/dbraw/zinc/04/68/91/358046891.db2.gz CMVCFURZYZYVFO-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C2CCSCC2)CC1 ZINC000220684525 358046184 /nfs/dbraw/zinc/04/61/84/358046184.db2.gz CMVCFURZYZYVFO-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)CC1 ZINC000220687038 487529977 /nfs/dbraw/zinc/52/99/77/487529977.db2.gz YVUBKBUJPJPPTD-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)CC1 ZINC000220687093 487529939 /nfs/dbraw/zinc/52/99/39/487529939.db2.gz YVUBKBUJPJPPTD-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)CC1 ZINC000220687159 487529804 /nfs/dbraw/zinc/52/98/04/487529804.db2.gz YVUBKBUJPJPPTD-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CCSCC2)CC1 ZINC000220687224 487529896 /nfs/dbraw/zinc/52/98/96/487529896.db2.gz YVUBKBUJPJPPTD-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO c1ccc(C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000220714049 363911906 /nfs/dbraw/zinc/91/19/06/363911906.db2.gz OTIPNDYRXKKFCT-UHFFFAOYSA-N 1 0 229.367 3.809 20 0 BHADRO Fc1ccc(C[NH2+]CCCC2CCCC2)cc1 ZINC000220717431 388607778 /nfs/dbraw/zinc/60/77/78/388607778.db2.gz HSLZNDDJLXNGCT-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO COc1ccc(C[NH2+]CCCC2CCCC2)cc1 ZINC000220717802 259311062 /nfs/dbraw/zinc/31/10/62/259311062.db2.gz KZMGDEOSUWJRDF-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO COc1cccc(C[NH2+]CCCC2CCCC2)c1 ZINC000220718096 388607510 /nfs/dbraw/zinc/60/75/10/388607510.db2.gz ZKJHXCFXNITRKV-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO Fc1ccccc1C[NH2+]CCCC1CCCC1 ZINC000220718292 388607482 /nfs/dbraw/zinc/60/74/82/388607482.db2.gz FAMTWPMGOKOMAG-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO Fc1cccc(C[NH2+]CCCC2CCCC2)c1 ZINC000220718389 388607244 /nfs/dbraw/zinc/60/72/44/388607244.db2.gz AMBQULSSCXPWQF-UHFFFAOYSA-N 1 0 235.346 3.886 20 0 BHADRO COc1ccccc1C[NH2+]CCCC1CCCC1 ZINC000220718563 259516099 /nfs/dbraw/zinc/51/60/99/259516099.db2.gz SNOLKVXBHXKPGU-UHFFFAOYSA-N 1 0 247.382 3.755 20 0 BHADRO C1=CC[C@@H](C[NH2+]CCCC2CCCC2)CC1 ZINC000220720214 388607241 /nfs/dbraw/zinc/60/72/41/388607241.db2.gz CORMGPXFAZPOHK-OAHLLOKOSA-N 1 0 221.388 3.903 20 0 BHADRO C1=CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC000220720292 388607349 /nfs/dbraw/zinc/60/73/49/388607349.db2.gz CORMGPXFAZPOHK-HNNXBMFYSA-N 1 0 221.388 3.903 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000220720550 388607752 /nfs/dbraw/zinc/60/77/52/388607752.db2.gz VWJDHOUKBSZHDB-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000220720623 259516510 /nfs/dbraw/zinc/51/65/10/259516510.db2.gz VWJDHOUKBSZHDB-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000220720686 388607506 /nfs/dbraw/zinc/60/75/06/388607506.db2.gz VWJDHOUKBSZHDB-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000220720753 259310818 /nfs/dbraw/zinc/31/08/18/259310818.db2.gz VWJDHOUKBSZHDB-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000220720858 388607577 /nfs/dbraw/zinc/60/75/77/388607577.db2.gz GKYBJMGRHUPIEQ-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000220720923 388606991 /nfs/dbraw/zinc/60/69/91/388606991.db2.gz GKYBJMGRHUPIEQ-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC000220720990 388607355 /nfs/dbraw/zinc/60/73/55/388607355.db2.gz GKYBJMGRHUPIEQ-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC000220721054 388607372 /nfs/dbraw/zinc/60/73/72/388607372.db2.gz GKYBJMGRHUPIEQ-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]CCSCC ZINC000220786976 388607164 /nfs/dbraw/zinc/60/71/64/388607164.db2.gz GKZIISVTMJLKRS-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCC[C@H](CCC)[NH2+]CCSCC ZINC000220787040 388607043 /nfs/dbraw/zinc/60/70/43/388607043.db2.gz GKZIISVTMJLKRS-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO COC1CC([NH2+][C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000220838751 388607460 /nfs/dbraw/zinc/60/74/60/388607460.db2.gz GMXIMQCIPXSJMT-NRXISQOPSA-N 1 0 247.382 3.541 20 0 BHADRO COC1CC([NH2+][C@H](c2ccccc2)C(C)(C)C)C1 ZINC000220838811 388607765 /nfs/dbraw/zinc/60/77/65/388607765.db2.gz GMXIMQCIPXSJMT-YMAMQOFZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000220869630 487540020 /nfs/dbraw/zinc/54/00/20/487540020.db2.gz WPKNMURJJISJSF-OUCADQQQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000220869687 488059431 /nfs/dbraw/zinc/05/94/31/488059431.db2.gz WPKNMURJJISJSF-SCRDCRAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000220869760 487540037 /nfs/dbraw/zinc/54/00/37/487540037.db2.gz WPKNMURJJISJSF-SGMGOOAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000220869824 487540034 /nfs/dbraw/zinc/54/00/34/487540034.db2.gz WPKNMURJJISJSF-OBJOEFQTSA-N 1 0 235.396 3.540 20 0 BHADRO CSCCCCCC[NH2+]CCC(C)(C)C ZINC000220876001 592365060 /nfs/dbraw/zinc/36/50/60/592365060.db2.gz NCSZJFJWWBFVET-UHFFFAOYSA-N 1 0 231.449 3.936 20 0 BHADRO CSCCCCC[NH2+]CCCC(C)C ZINC000220922107 134314932 /nfs/dbraw/zinc/31/49/32/134314932.db2.gz ALQNUFWPMLMKLB-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000220943317 592379314 /nfs/dbraw/zinc/37/93/14/592379314.db2.gz ZDKVVSUCWXFHQV-IJLUTSLNSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)o1 ZINC000220945633 134314845 /nfs/dbraw/zinc/31/48/45/134314845.db2.gz HPBXFEJGMLOZSB-NWDGAFQWSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)o1 ZINC000220945695 134315329 /nfs/dbraw/zinc/31/53/29/134315329.db2.gz HPBXFEJGMLOZSB-RYUDHWBXSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)o1 ZINC000220945755 134315045 /nfs/dbraw/zinc/31/50/45/134315045.db2.gz HPBXFEJGMLOZSB-VXGBXAGGSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)C2CCCCC2)o1 ZINC000220945803 134315168 /nfs/dbraw/zinc/31/51/68/134315168.db2.gz HPBXFEJGMLOZSB-NEPJUHHUSA-N 1 0 236.359 3.602 20 0 BHADRO Clc1cc(C[NH2+]CC2CC2)c(Cl)s1 ZINC000220990039 385109043 /nfs/dbraw/zinc/10/90/43/385109043.db2.gz NJYVDRKSTJKTBG-UHFFFAOYSA-N 1 0 236.167 3.555 20 0 BHADRO CC(C)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000220990225 259517982 /nfs/dbraw/zinc/51/79/82/259517982.db2.gz KUFPQADVYAHPKJ-UHFFFAOYSA-N 1 0 238.183 3.801 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CCC1 ZINC000221071619 322899710 /nfs/dbraw/zinc/89/97/10/322899710.db2.gz PQCLRZLRSNMLOF-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCOCC1 ZINC000221088195 324183698 /nfs/dbraw/zinc/18/36/98/324183698.db2.gz OYJBTDYGBKSUNA-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCOCC1 ZINC000221088252 324183815 /nfs/dbraw/zinc/18/38/15/324183815.db2.gz OYJBTDYGBKSUNA-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCOCC1 ZINC000221088313 385979464 /nfs/dbraw/zinc/97/94/64/385979464.db2.gz OYJBTDYGBKSUNA-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCOCC1 ZINC000221088372 324183663 /nfs/dbraw/zinc/18/36/63/324183663.db2.gz OYJBTDYGBKSUNA-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000221097262 385978930 /nfs/dbraw/zinc/97/89/30/385978930.db2.gz CRPWQAQEPIYEMW-ZCFIWIBFSA-N 1 0 238.183 3.943 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000221097317 385260032 /nfs/dbraw/zinc/26/00/32/385260032.db2.gz CRPWQAQEPIYEMW-LURJTMIESA-N 1 0 238.183 3.943 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000221145876 490176999 /nfs/dbraw/zinc/17/69/99/490176999.db2.gz GSTWCCIGJOGVDD-RQJABVFESA-N 1 0 249.402 3.521 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000221299534 259371148 /nfs/dbraw/zinc/37/11/48/259371148.db2.gz XJGCGDXLNLUMAG-YWPYICTPSA-N 1 0 217.356 3.871 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000221299634 259371390 /nfs/dbraw/zinc/37/13/90/259371390.db2.gz XJGCGDXLNLUMAG-ZOWXZIJZSA-N 1 0 217.356 3.871 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(CC)(CC)SC ZINC000221315223 592404368 /nfs/dbraw/zinc/40/43/68/592404368.db2.gz NUAKEOGHWJNAQG-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CC[C@H](C)C[NH2+]CC(CC)(CC)SC ZINC000221315278 592405764 /nfs/dbraw/zinc/40/57/64/592405764.db2.gz NUAKEOGHWJNAQG-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC000221317154 259371824 /nfs/dbraw/zinc/37/18/24/259371824.db2.gz LPLGOUSVYHJNMY-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC000221317213 259372003 /nfs/dbraw/zinc/37/20/03/259372003.db2.gz LPLGOUSVYHJNMY-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1(C)CC1 ZINC000221347998 134320745 /nfs/dbraw/zinc/32/07/45/134320745.db2.gz YZXPGDQSSHTFHN-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221375287 259372640 /nfs/dbraw/zinc/37/26/40/259372640.db2.gz COQBQFVJZGCYLQ-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221375392 259372560 /nfs/dbraw/zinc/37/25/60/259372560.db2.gz COQBQFVJZGCYLQ-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000221383094 259372937 /nfs/dbraw/zinc/37/29/37/259372937.db2.gz XDXTZHXDAXOBIQ-CHWSQXEVSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000221383149 259372829 /nfs/dbraw/zinc/37/28/29/259372829.db2.gz XDXTZHXDAXOBIQ-QWHCGFSZSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000221383186 259372896 /nfs/dbraw/zinc/37/28/96/259372896.db2.gz XDXTZHXDAXOBIQ-OLZOCXBDSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000221383240 259372852 /nfs/dbraw/zinc/37/28/52/259372852.db2.gz XDXTZHXDAXOBIQ-STQMWFEESA-N 1 0 221.344 3.584 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000221383497 259372882 /nfs/dbraw/zinc/37/28/82/259372882.db2.gz YCBQXMZSCCSYIJ-ZIAGYGMSSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000221383535 259372885 /nfs/dbraw/zinc/37/28/85/259372885.db2.gz YCBQXMZSCCSYIJ-KGLIPLIRSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)o1 ZINC000221383579 259372974 /nfs/dbraw/zinc/37/29/74/259372974.db2.gz YCBQXMZSCCSYIJ-UONOGXRCSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)o1 ZINC000221383624 259372894 /nfs/dbraw/zinc/37/28/94/259372894.db2.gz YCBQXMZSCCSYIJ-KBPBESRZSA-N 1 0 235.371 3.892 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000221385137 259373019 /nfs/dbraw/zinc/37/30/19/259373019.db2.gz JBBOKKZNRMJSJD-TZMCWYRMSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000221385182 259372880 /nfs/dbraw/zinc/37/28/80/259372880.db2.gz JBBOKKZNRMJSJD-GXTWGEPZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000221385248 259372861 /nfs/dbraw/zinc/37/28/61/259372861.db2.gz JBBOKKZNRMJSJD-OCCSQVGLSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000221385311 259372909 /nfs/dbraw/zinc/37/29/09/259372909.db2.gz JBBOKKZNRMJSJD-JSGCOSHPSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000221388259 259372966 /nfs/dbraw/zinc/37/29/66/259372966.db2.gz CWDIJKJVIIYMLV-ZIAGYGMSSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000221388316 259372838 /nfs/dbraw/zinc/37/28/38/259372838.db2.gz CWDIJKJVIIYMLV-UONOGXRCSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000221388367 259372926 /nfs/dbraw/zinc/37/29/26/259372926.db2.gz CWDIJKJVIIYMLV-KGLIPLIRSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000221388420 259372870 /nfs/dbraw/zinc/37/28/70/259372870.db2.gz CWDIJKJVIIYMLV-KBPBESRZSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000221388746 259372846 /nfs/dbraw/zinc/37/28/46/259372846.db2.gz SCAKYSYLVDNONE-CHWSQXEVSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000221388806 259372933 /nfs/dbraw/zinc/37/29/33/259372933.db2.gz SCAKYSYLVDNONE-QWHCGFSZSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000221388857 259372924 /nfs/dbraw/zinc/37/29/24/259372924.db2.gz SCAKYSYLVDNONE-OLZOCXBDSA-N 1 0 211.393 3.837 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000221388913 259373027 /nfs/dbraw/zinc/37/30/27/259373027.db2.gz SCAKYSYLVDNONE-STQMWFEESA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC000221393716 347002673 /nfs/dbraw/zinc/00/26/73/347002673.db2.gz DIUXGPNJUFFBIQ-IMSIIYSGSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC000221393783 358082300 /nfs/dbraw/zinc/08/23/00/358082300.db2.gz DIUXGPNJUFFBIQ-RBZYPMLTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000221395874 347004872 /nfs/dbraw/zinc/00/48/72/347004872.db2.gz DDURRPAPSYLVFV-SQWLQELKSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000221395927 347004880 /nfs/dbraw/zinc/00/48/80/347004880.db2.gz DDURRPAPSYLVFV-LZWOXQAQSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000221505918 259374038 /nfs/dbraw/zinc/37/40/38/259374038.db2.gz QJWFKIVVCWHEEK-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000221529658 490378245 /nfs/dbraw/zinc/37/82/45/490378245.db2.gz VKORKLRWGYNWFH-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)CCCO ZINC000221581112 385669883 /nfs/dbraw/zinc/66/98/83/385669883.db2.gz HVTGALMOWCNGOU-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)CCCO ZINC000221581167 385669398 /nfs/dbraw/zinc/66/93/98/385669398.db2.gz HVTGALMOWCNGOU-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)CCCO ZINC000221581223 385670093 /nfs/dbraw/zinc/67/00/93/385670093.db2.gz HVTGALMOWCNGOU-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)CCCO ZINC000221581282 385668225 /nfs/dbraw/zinc/66/82/25/385668225.db2.gz HVTGALMOWCNGOU-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccccc1 ZINC000221599672 535802943 /nfs/dbraw/zinc/80/29/43/535802943.db2.gz HEAPIYGIFGEIPS-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccccc1 ZINC000221599726 134325541 /nfs/dbraw/zinc/32/55/41/134325541.db2.gz HEAPIYGIFGEIPS-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000221668871 349273255 /nfs/dbraw/zinc/27/32/55/349273255.db2.gz KABWOUDDNVUFRU-RDBSUJKOSA-N 1 0 249.398 3.884 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000221668924 323090940 /nfs/dbraw/zinc/09/09/40/323090940.db2.gz KABWOUDDNVUFRU-IHRRRGAJSA-N 1 0 249.398 3.884 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1CCC1 ZINC000221680911 398046282 /nfs/dbraw/zinc/04/62/82/398046282.db2.gz VESOJYFOVCJUKF-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1CCC1 ZINC000221680964 398046438 /nfs/dbraw/zinc/04/64/38/398046438.db2.gz VESOJYFOVCJUKF-UHXUPSOCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1cncs1 ZINC000221681077 259404364 /nfs/dbraw/zinc/40/43/64/259404364.db2.gz SHYCGIMXBJDUES-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221682268 259404359 /nfs/dbraw/zinc/40/43/59/259404359.db2.gz ACUMCLFCACWORM-CHWFTXMASA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000221684413 491128201 /nfs/dbraw/zinc/12/82/01/491128201.db2.gz XTQVUFPGWUXEMV-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000221684471 491128225 /nfs/dbraw/zinc/12/82/25/491128225.db2.gz XTQVUFPGWUXEMV-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000221690129 398049180 /nfs/dbraw/zinc/04/91/80/398049180.db2.gz KFIKUECJUKGCRC-IUCAKERBSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000221690177 398049191 /nfs/dbraw/zinc/04/91/91/398049191.db2.gz KFIKUECJUKGCRC-BDAKNGLRSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc(F)c1 ZINC000221690227 398048297 /nfs/dbraw/zinc/04/82/97/398048297.db2.gz KFIKUECJUKGCRC-DTWKUNHWSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(F)c1 ZINC000221690291 398048499 /nfs/dbraw/zinc/04/84/99/398048499.db2.gz KFIKUECJUKGCRC-RKDXNWHRSA-N 1 0 249.251 3.817 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCCC1 ZINC000221726961 259405022 /nfs/dbraw/zinc/40/50/22/259405022.db2.gz XIYLPRSEBIMJPD-HNNXBMFYSA-N 1 0 233.330 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCCCC1 ZINC000221727013 385693588 /nfs/dbraw/zinc/69/35/88/385693588.db2.gz XIYLPRSEBIMJPD-OAHLLOKOSA-N 1 0 233.330 3.735 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1F ZINC000221732152 385694316 /nfs/dbraw/zinc/69/43/16/385694316.db2.gz NZFMGKYEJFFCIV-IUCAKERBSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1F ZINC000221732219 385693943 /nfs/dbraw/zinc/69/39/43/385693943.db2.gz NZFMGKYEJFFCIV-BDAKNGLRSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccccc1F ZINC000221732277 385694227 /nfs/dbraw/zinc/69/42/27/385694227.db2.gz NZFMGKYEJFFCIV-DTWKUNHWSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccccc1F ZINC000221732321 259405408 /nfs/dbraw/zinc/40/54/08/259405408.db2.gz NZFMGKYEJFFCIV-RKDXNWHRSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccs1 ZINC000221746162 134326398 /nfs/dbraw/zinc/32/63/98/134326398.db2.gz PDKDHVNLPOHHQI-YUMQZZPRSA-N 1 0 237.290 3.740 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccs1 ZINC000221746272 134326270 /nfs/dbraw/zinc/32/62/70/134326270.db2.gz PDKDHVNLPOHHQI-JGVFFNPUSA-N 1 0 237.290 3.740 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccs1 ZINC000221746331 134326055 /nfs/dbraw/zinc/32/60/55/134326055.db2.gz PDKDHVNLPOHHQI-HTQZYQBOSA-N 1 0 237.290 3.740 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1ccccc1OC ZINC000221746616 592444150 /nfs/dbraw/zinc/44/41/50/592444150.db2.gz QWYZNBDDCVJNNT-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1ccccc1OC ZINC000221746681 592444314 /nfs/dbraw/zinc/44/43/14/592444314.db2.gz QWYZNBDDCVJNNT-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO COc1ccccc1CC[NH2+][C@@H](C)CCC(C)C ZINC000221749380 385697930 /nfs/dbraw/zinc/69/79/30/385697930.db2.gz CJLGYSSCXJHGQP-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccccc1CC[NH2+][C@H](C)CCC(C)C ZINC000221749455 385699499 /nfs/dbraw/zinc/69/94/99/385699499.db2.gz CJLGYSSCXJHGQP-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1ccccc1OC ZINC000221751003 385699344 /nfs/dbraw/zinc/69/93/44/385699344.db2.gz WZEWYQFNMMFITF-OAHLLOKOSA-N 1 0 249.398 3.796 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1ccccc1OC ZINC000221751054 259405835 /nfs/dbraw/zinc/40/58/35/259405835.db2.gz WZEWYQFNMMFITF-HNNXBMFYSA-N 1 0 249.398 3.796 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1 ZINC000221753748 385699447 /nfs/dbraw/zinc/69/94/47/385699447.db2.gz KYRWTLCYAGANLD-MNOVXSKESA-N 1 0 245.288 3.721 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1 ZINC000221753801 385699427 /nfs/dbraw/zinc/69/94/27/385699427.db2.gz KYRWTLCYAGANLD-GHMZBOCLSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000221753859 385699386 /nfs/dbraw/zinc/69/93/86/385699386.db2.gz KYRWTLCYAGANLD-QWRGUYRKSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@H](C)c1ccccc1 ZINC000221753917 385699542 /nfs/dbraw/zinc/69/95/42/385699542.db2.gz KYRWTLCYAGANLD-WDEREUQCSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1(C)CC1 ZINC000221756034 592444359 /nfs/dbraw/zinc/44/43/59/592444359.db2.gz UPDOIRMEUFZAEG-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1(C)CC1 ZINC000221756093 592444192 /nfs/dbraw/zinc/44/41/92/592444192.db2.gz UPDOIRMEUFZAEG-VOAKCMCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000221766956 385703480 /nfs/dbraw/zinc/70/34/80/385703480.db2.gz MWBJBKDSPKGILF-IUCAKERBSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000221767010 385702903 /nfs/dbraw/zinc/70/29/03/385702903.db2.gz MWBJBKDSPKGILF-BDAKNGLRSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(F)cc1 ZINC000221767069 385702156 /nfs/dbraw/zinc/70/21/56/385702156.db2.gz MWBJBKDSPKGILF-DTWKUNHWSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000221767119 262743557 /nfs/dbraw/zinc/74/35/57/262743557.db2.gz MWBJBKDSPKGILF-RKDXNWHRSA-N 1 0 249.251 3.817 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)CC(F)(F)F ZINC000221776455 358125627 /nfs/dbraw/zinc/12/56/27/358125627.db2.gz IJEJSZMDXOTSQS-UWVGGRQHSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)CC(F)(F)F ZINC000221776519 358126225 /nfs/dbraw/zinc/12/62/25/358126225.db2.gz IJEJSZMDXOTSQS-ZJUUUORDSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccco1 ZINC000221776567 358125959 /nfs/dbraw/zinc/12/59/59/358125959.db2.gz IJEJSZMDXOTSQS-VHSXEESVSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)CC(F)(F)F ZINC000221776621 358125563 /nfs/dbraw/zinc/12/55/63/358125563.db2.gz IJEJSZMDXOTSQS-NXEZZACHSA-N 1 0 249.276 3.531 20 0 BHADRO CCCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000221794380 259406091 /nfs/dbraw/zinc/40/60/91/259406091.db2.gz SVUBLWGCWRRMHM-OAHLLOKOSA-N 1 0 219.372 3.816 20 0 BHADRO CCCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000221794440 385706329 /nfs/dbraw/zinc/70/63/29/385706329.db2.gz SVUBLWGCWRRMHM-HNNXBMFYSA-N 1 0 219.372 3.816 20 0 BHADRO CC(C)[C@@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000221794943 259406378 /nfs/dbraw/zinc/40/63/78/259406378.db2.gz ZHMWLROTOBNJFD-MRXNPFEDSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)[C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000221795001 385708959 /nfs/dbraw/zinc/70/89/59/385708959.db2.gz ZHMWLROTOBNJFD-INIZCTEOSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000221795883 259406152 /nfs/dbraw/zinc/40/61/52/259406152.db2.gz PPATYYSFPDHBCQ-KFWWJZLASA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000221795996 385708459 /nfs/dbraw/zinc/70/84/59/385708459.db2.gz PPATYYSFPDHBCQ-RBSFLKMASA-N 1 0 221.388 3.901 20 0 BHADRO CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000221801160 398053731 /nfs/dbraw/zinc/05/37/31/398053731.db2.gz IUQVGDBGRICWEB-NWANDNLSSA-N 1 0 217.356 3.568 20 0 BHADRO CC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000221801260 398053463 /nfs/dbraw/zinc/05/34/63/398053463.db2.gz IUQVGDBGRICWEB-BPLDGKMQSA-N 1 0 217.356 3.568 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000221801830 592447197 /nfs/dbraw/zinc/44/71/97/592447197.db2.gz TYNPENHZFVOGPA-BFHYXJOUSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000221801889 592447578 /nfs/dbraw/zinc/44/75/78/592447578.db2.gz TYNPENHZFVOGPA-MELADBBJSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000221806852 347028744 /nfs/dbraw/zinc/02/87/44/347028744.db2.gz VAINQPNVQSNXNI-DMDPSCGWSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2ccccc21 ZINC000221849865 134328061 /nfs/dbraw/zinc/32/80/61/134328061.db2.gz KLPVXMNHMPEAFK-JOYOIKCWSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2ccccc21 ZINC000221849919 134328117 /nfs/dbraw/zinc/32/81/17/134328117.db2.gz KLPVXMNHMPEAFK-BXKDBHETSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2ccccc21 ZINC000221849969 134328209 /nfs/dbraw/zinc/32/82/09/134328209.db2.gz KLPVXMNHMPEAFK-CABZTGNLSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2ccccc21 ZINC000221850025 134328151 /nfs/dbraw/zinc/32/81/51/134328151.db2.gz KLPVXMNHMPEAFK-SKDRFNHKSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCCC1CCCC1 ZINC000221861137 386021851 /nfs/dbraw/zinc/02/18/51/386021851.db2.gz LUOPDHVKHDXRII-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCCC1CCCC1 ZINC000221861203 385746403 /nfs/dbraw/zinc/74/64/03/385746403.db2.gz LUOPDHVKHDXRII-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCCC1)C1CC1 ZINC000221862193 385746228 /nfs/dbraw/zinc/74/62/28/385746228.db2.gz XFBJIZVQTZXTIB-CQSZACIVSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCCC1)C1CC1 ZINC000221862239 385748053 /nfs/dbraw/zinc/74/80/53/385748053.db2.gz XFBJIZVQTZXTIB-AWEZNQCLSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)CCCCCCNC(=[NH2+])NC(C)(C)C ZINC000221868508 592454692 /nfs/dbraw/zinc/45/46/92/592454692.db2.gz ILIDGYIACRREBR-UHFFFAOYSA-N 1 0 241.423 3.505 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221880412 385768603 /nfs/dbraw/zinc/76/86/03/385768603.db2.gz XYTBORYAEWQSBH-ZDUSSCGKSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221880465 259409414 /nfs/dbraw/zinc/40/94/14/259409414.db2.gz XYTBORYAEWQSBH-CYBMUJFWSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CCSC2)C2CC2)cc1 ZINC000221933242 386027559 /nfs/dbraw/zinc/02/75/59/386027559.db2.gz NNVTZAALQDWZSX-HUUCEWRRSA-N 1 0 247.407 3.541 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CCSC2)C2CC2)cc1 ZINC000221933290 178911066 /nfs/dbraw/zinc/91/10/66/178911066.db2.gz NNVTZAALQDWZSX-CABCVRRESA-N 1 0 247.407 3.541 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CCSC2)C2CC2)cc1 ZINC000221933346 386027189 /nfs/dbraw/zinc/02/71/89/386027189.db2.gz NNVTZAALQDWZSX-LSDHHAIUSA-N 1 0 247.407 3.541 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CCSC2)C2CC2)cc1 ZINC000221933394 386027300 /nfs/dbraw/zinc/02/73/00/386027300.db2.gz NNVTZAALQDWZSX-GJZGRUSLSA-N 1 0 247.407 3.541 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCC1 ZINC000221937142 385823203 /nfs/dbraw/zinc/82/32/03/385823203.db2.gz KWCYGRRQLDUSDR-MVWJERBFSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCC1 ZINC000221937243 385821874 /nfs/dbraw/zinc/82/18/74/385821874.db2.gz KWCYGRRQLDUSDR-WCQGTBRESA-N 1 0 249.320 3.886 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1csc(C)n1 ZINC000221946331 592464694 /nfs/dbraw/zinc/46/46/94/592464694.db2.gz NMDHAEVPQZDMDN-LLVKDONJSA-N 1 0 240.416 3.552 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1csc(C)n1 ZINC000221946386 592465374 /nfs/dbraw/zinc/46/53/74/592465374.db2.gz NMDHAEVPQZDMDN-NSHDSACASA-N 1 0 240.416 3.552 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1csc(C)n1 ZINC000221966077 385631836 /nfs/dbraw/zinc/63/18/36/385631836.db2.gz MJXMAZOLAQAVGT-GFCCVEGCSA-N 1 0 240.416 3.552 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1csc(C)n1 ZINC000221966126 385670420 /nfs/dbraw/zinc/67/04/20/385670420.db2.gz MJXMAZOLAQAVGT-LBPRGKRZSA-N 1 0 240.416 3.552 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000221981464 536174667 /nfs/dbraw/zinc/17/46/67/536174667.db2.gz IDEADZQOWJCFOJ-UHIISALHSA-N 1 0 203.329 3.623 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000221981570 134327414 /nfs/dbraw/zinc/32/74/14/134327414.db2.gz IDEADZQOWJCFOJ-SUNKGSAMSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000221981866 323175654 /nfs/dbraw/zinc/17/56/54/323175654.db2.gz AVXXCGVJXYABOP-LALPHHSUSA-N 1 0 217.356 3.869 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000221981921 386262655 /nfs/dbraw/zinc/26/26/55/386262655.db2.gz AVXXCGVJXYABOP-JMSVASOKSA-N 1 0 217.356 3.869 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000221985441 645895372 /nfs/dbraw/zinc/89/53/72/645895372.db2.gz PMVYOYSEBJDFEG-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C ZINC000221985509 583635472 /nfs/dbraw/zinc/63/54/72/583635472.db2.gz PMVYOYSEBJDFEG-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000221987403 645895349 /nfs/dbraw/zinc/89/53/49/645895349.db2.gz FOTRJNFCQFJSIU-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H]1C ZINC000221987456 645895252 /nfs/dbraw/zinc/89/52/52/645895252.db2.gz FOTRJNFCQFJSIU-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)CC2 ZINC000221989279 491129368 /nfs/dbraw/zinc/12/93/68/491129368.db2.gz LZAIKRYEGPFZKZ-DJSGYFEHSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)CC2 ZINC000221989390 491129367 /nfs/dbraw/zinc/12/93/67/491129367.db2.gz LZAIKRYEGPFZKZ-DIOULYMOSA-N 1 0 229.367 3.761 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000222026289 134329304 /nfs/dbraw/zinc/32/93/04/134329304.db2.gz UUKPTOFHHHNMTP-DGCLKSJQSA-N 1 0 247.407 3.859 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000222026340 134329389 /nfs/dbraw/zinc/32/93/89/134329389.db2.gz UUKPTOFHHHNMTP-WCQYABFASA-N 1 0 247.407 3.859 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000222026393 134329344 /nfs/dbraw/zinc/32/93/44/134329344.db2.gz UUKPTOFHHHNMTP-YPMHNXCESA-N 1 0 247.407 3.859 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000222026445 134329432 /nfs/dbraw/zinc/32/94/32/134329432.db2.gz UUKPTOFHHHNMTP-AAEUAGOBSA-N 1 0 247.407 3.859 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccs1 ZINC000222026526 488048015 /nfs/dbraw/zinc/04/80/15/488048015.db2.gz MQCPHEQPBSYTRV-WDEREUQCSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccs1 ZINC000222026571 488047998 /nfs/dbraw/zinc/04/79/98/488047998.db2.gz MQCPHEQPBSYTRV-QWRGUYRKSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccs1 ZINC000222026626 488047849 /nfs/dbraw/zinc/04/78/49/488047849.db2.gz MQCPHEQPBSYTRV-GHMZBOCLSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccs1 ZINC000222026694 488047988 /nfs/dbraw/zinc/04/79/88/488047988.db2.gz MQCPHEQPBSYTRV-MNOVXSKESA-N 1 0 223.385 3.835 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000222030846 134329446 /nfs/dbraw/zinc/32/94/46/134329446.db2.gz KNWNTTFAXBOZOC-ZYHUDNBSSA-N 1 0 235.396 3.761 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000222030905 134329226 /nfs/dbraw/zinc/32/92/26/134329226.db2.gz KNWNTTFAXBOZOC-CMPLNLGQSA-N 1 0 235.396 3.761 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000222030963 134329490 /nfs/dbraw/zinc/32/94/90/134329490.db2.gz KNWNTTFAXBOZOC-PWSUYJOCSA-N 1 0 235.396 3.761 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000222031015 134329384 /nfs/dbraw/zinc/32/93/84/134329384.db2.gz KNWNTTFAXBOZOC-JQWIXIFHSA-N 1 0 235.396 3.761 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1cccc(OC)c1 ZINC000222036775 645896151 /nfs/dbraw/zinc/89/61/51/645896151.db2.gz FBVFYDUHBAZFGC-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1cccc(OC)c1 ZINC000222036832 645896114 /nfs/dbraw/zinc/89/61/14/645896114.db2.gz FBVFYDUHBAZFGC-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO COc1cccc(CC[NH2+][C@@H](C)CCC(C)C)c1 ZINC000222039604 358698808 /nfs/dbraw/zinc/69/88/08/358698808.db2.gz ANACYLNNLYLQMX-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1cccc(CC[NH2+][C@H](C)CCC(C)C)c1 ZINC000222039659 358698341 /nfs/dbraw/zinc/69/83/41/358698341.db2.gz ANACYLNNLYLQMX-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000222040818 259487173 /nfs/dbraw/zinc/48/71/73/259487173.db2.gz IOJDEWAIAAZLGX-PWSUYJOCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000222040877 387788677 /nfs/dbraw/zinc/78/86/77/387788677.db2.gz IOJDEWAIAAZLGX-JQWIXIFHSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000222040937 387787025 /nfs/dbraw/zinc/78/70/25/387787025.db2.gz IOJDEWAIAAZLGX-ZYHUDNBSSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000222040996 387788400 /nfs/dbraw/zinc/78/84/00/387788400.db2.gz IOJDEWAIAAZLGX-CMPLNLGQSA-N 1 0 221.319 3.522 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1cccc(OC)c1 ZINC000222041182 259487096 /nfs/dbraw/zinc/48/70/96/259487096.db2.gz APIQNKORERYPKB-OAHLLOKOSA-N 1 0 249.398 3.796 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1cccc(OC)c1 ZINC000222041238 259487118 /nfs/dbraw/zinc/48/71/18/259487118.db2.gz APIQNKORERYPKB-HNNXBMFYSA-N 1 0 249.398 3.796 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)s1 ZINC000222041570 387785679 /nfs/dbraw/zinc/78/56/79/387785679.db2.gz ZJIHRMISKFOFJD-MNOVXSKESA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)s1 ZINC000222041633 262815164 /nfs/dbraw/zinc/81/51/64/262815164.db2.gz ZJIHRMISKFOFJD-QWRGUYRKSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)s1 ZINC000222041689 387786296 /nfs/dbraw/zinc/78/62/96/387786296.db2.gz ZJIHRMISKFOFJD-GHMZBOCLSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC2(C)C)s1 ZINC000222041749 387786107 /nfs/dbraw/zinc/78/61/07/387786107.db2.gz ZJIHRMISKFOFJD-WDEREUQCSA-N 1 0 223.385 3.753 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045578 387790509 /nfs/dbraw/zinc/79/05/09/387790509.db2.gz PPLMHVDQKCUQIA-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045640 387790214 /nfs/dbraw/zinc/79/02/14/387790214.db2.gz PPLMHVDQKCUQIA-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045699 387800232 /nfs/dbraw/zinc/80/02/32/387800232.db2.gz PPLMHVDQKCUQIA-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045760 490194392 /nfs/dbraw/zinc/19/43/92/490194392.db2.gz PPLMHVDQKCUQIA-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1F ZINC000222045840 490195144 /nfs/dbraw/zinc/19/51/44/490195144.db2.gz LBTGWBQLASLWGH-MNOVXSKESA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1F ZINC000222045893 358769523 /nfs/dbraw/zinc/76/95/23/358769523.db2.gz LBTGWBQLASLWGH-QWRGUYRKSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1F ZINC000222045955 358769637 /nfs/dbraw/zinc/76/96/37/358769637.db2.gz LBTGWBQLASLWGH-GHMZBOCLSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1F ZINC000222045995 358769455 /nfs/dbraw/zinc/76/94/55/358769455.db2.gz LBTGWBQLASLWGH-WDEREUQCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000222049899 358769564 /nfs/dbraw/zinc/76/95/64/358769564.db2.gz OJQBDBHXMLJGOG-KOLCDFICSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000222049958 358769475 /nfs/dbraw/zinc/76/94/75/358769475.db2.gz OJQBDBHXMLJGOG-ONGXEEELSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000222050016 358769166 /nfs/dbraw/zinc/76/91/66/358769166.db2.gz OJQBDBHXMLJGOG-MWLCHTKSSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000222050072 358769615 /nfs/dbraw/zinc/76/96/15/358769615.db2.gz OJQBDBHXMLJGOG-GXSJLCMTSA-N 1 0 239.309 3.662 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC1(C)C ZINC000222050306 358769269 /nfs/dbraw/zinc/76/92/69/358769269.db2.gz UCLNPPFKGJNISD-MNOVXSKESA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC1(C)C ZINC000222050363 358769446 /nfs/dbraw/zinc/76/94/46/358769446.db2.gz UCLNPPFKGJNISD-QWRGUYRKSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC1(C)C ZINC000222050418 323412156 /nfs/dbraw/zinc/41/21/56/323412156.db2.gz UCLNPPFKGJNISD-GHMZBOCLSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC1(C)C ZINC000222050476 323412483 /nfs/dbraw/zinc/41/24/83/323412483.db2.gz UCLNPPFKGJNISD-WDEREUQCSA-N 1 0 223.385 3.753 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000222053868 387805032 /nfs/dbraw/zinc/80/50/32/387805032.db2.gz TYZWTHQBEMQIBP-CQSZACIVSA-N 1 0 230.355 3.836 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000222053934 323414259 /nfs/dbraw/zinc/41/42/59/323414259.db2.gz TYZWTHQBEMQIBP-AWEZNQCLSA-N 1 0 230.355 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054022 387804570 /nfs/dbraw/zinc/80/45/70/387804570.db2.gz KTZZFUUIVLVVJO-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054075 387805041 /nfs/dbraw/zinc/80/50/41/387805041.db2.gz KTZZFUUIVLVVJO-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054124 387804633 /nfs/dbraw/zinc/80/46/33/387804633.db2.gz KTZZFUUIVLVVJO-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054172 387804042 /nfs/dbraw/zinc/80/40/42/387804042.db2.gz KTZZFUUIVLVVJO-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000222055994 488063355 /nfs/dbraw/zinc/06/33/55/488063355.db2.gz FPUSIAWFGJTVGV-PWSUYJOCSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000222056056 488062842 /nfs/dbraw/zinc/06/28/42/488062842.db2.gz FPUSIAWFGJTVGV-JQWIXIFHSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(F)c1 ZINC000222056103 488063270 /nfs/dbraw/zinc/06/32/70/488063270.db2.gz FPUSIAWFGJTVGV-ZYHUDNBSSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(F)c1 ZINC000222056154 488063148 /nfs/dbraw/zinc/06/31/48/488063148.db2.gz FPUSIAWFGJTVGV-CMPLNLGQSA-N 1 0 221.319 3.522 20 0 BHADRO COC[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000222066097 536716761 /nfs/dbraw/zinc/71/67/61/536716761.db2.gz QARSWADEFPIHQO-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000222066160 134329268 /nfs/dbraw/zinc/32/92/68/134329268.db2.gz QARSWADEFPIHQO-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1 ZINC000222067054 385772120 /nfs/dbraw/zinc/77/21/20/385772120.db2.gz KRXPVKPRUGNPNF-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1 ZINC000222067112 259409882 /nfs/dbraw/zinc/40/98/82/259409882.db2.gz KRXPVKPRUGNPNF-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccccc1 ZINC000222067170 385771167 /nfs/dbraw/zinc/77/11/67/385771167.db2.gz KRXPVKPRUGNPNF-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccccc1 ZINC000222067221 398068887 /nfs/dbraw/zinc/06/88/87/398068887.db2.gz KRXPVKPRUGNPNF-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@@H]([NH2+]C1CCCCCC1)c1ccccc1 ZINC000222067881 385772005 /nfs/dbraw/zinc/77/20/05/385772005.db2.gz ZRTCVGHMFNOGKI-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO COC[C@H]([NH2+]C1CCCCCC1)c1ccccc1 ZINC000222067950 385771318 /nfs/dbraw/zinc/77/13/18/385771318.db2.gz ZRTCVGHMFNOGKI-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000222068080 385771066 /nfs/dbraw/zinc/77/10/66/385771066.db2.gz JPHVECLHQNBPDI-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000222068192 385771832 /nfs/dbraw/zinc/77/18/32/385771832.db2.gz JPHVECLHQNBPDI-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000222070497 385793723 /nfs/dbraw/zinc/79/37/23/385793723.db2.gz ZOESGHRLAILSDY-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000222070607 259410245 /nfs/dbraw/zinc/41/02/45/259410245.db2.gz ZOESGHRLAILSDY-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222083670 259410286 /nfs/dbraw/zinc/41/02/86/259410286.db2.gz JLTPVIDMPIQSNT-NRWUCQMLSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000222083967 385783401 /nfs/dbraw/zinc/78/34/01/385783401.db2.gz UANIDWSGBDCYLJ-UHXUPSOCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000222084026 385784808 /nfs/dbraw/zinc/78/48/08/385784808.db2.gz UANIDWSGBDCYLJ-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000222084635 592467328 /nfs/dbraw/zinc/46/73/28/592467328.db2.gz BPFNUGLFVXOMIF-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000222084704 592466903 /nfs/dbraw/zinc/46/69/03/592466903.db2.gz BPFNUGLFVXOMIF-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1nccs1 ZINC000222092447 349818819 /nfs/dbraw/zinc/81/88/19/349818819.db2.gz RYHDPTJQMZVAAR-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)c1nccs1 ZINC000222092598 349819456 /nfs/dbraw/zinc/81/94/56/349819456.db2.gz CJMMQWQVPPPECM-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC=CCC1 ZINC000222092662 349820672 /nfs/dbraw/zinc/82/06/72/349820672.db2.gz GOFQDCQEYBNJLY-BFHYXJOUSA-N 1 0 209.377 3.900 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC=CCC1 ZINC000222092774 349821257 /nfs/dbraw/zinc/82/12/57/349821257.db2.gz GOFQDCQEYBNJLY-MJBXVCDLSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1(C)CC1 ZINC000222130319 592468492 /nfs/dbraw/zinc/46/84/92/592468492.db2.gz HAHRAOQPAKESSV-IACUBPJLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1(C)CC1 ZINC000222130422 592468285 /nfs/dbraw/zinc/46/82/85/592468285.db2.gz HAHRAOQPAKESSV-YUTCNCBUSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222130543 357182226 /nfs/dbraw/zinc/18/22/26/357182226.db2.gz WRCCQPWHHNOIIB-YUSALJHKSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000222130640 388612620 /nfs/dbraw/zinc/61/26/20/388612620.db2.gz WRCCQPWHHNOIIB-JLLWLGSASA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000222130741 490540415 /nfs/dbraw/zinc/54/04/15/490540415.db2.gz GUECQZRUBDLUAU-KFWWJZLASA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000222130851 490541247 /nfs/dbraw/zinc/54/12/47/490541247.db2.gz GUECQZRUBDLUAU-ILXRZTDVSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCC1 ZINC000222131188 490541021 /nfs/dbraw/zinc/54/10/21/490541021.db2.gz MAWJFAZKWLIGCA-NILFDRSVSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCC1 ZINC000222131303 490541111 /nfs/dbraw/zinc/54/11/11/490541111.db2.gz MAWJFAZKWLIGCA-GLQYFDAESA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSC2)CC1 ZINC000222135050 385817008 /nfs/dbraw/zinc/81/70/08/385817008.db2.gz GCFREYDRNMSASD-MGPQQGTHSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSC2)CC1 ZINC000222135162 385815327 /nfs/dbraw/zinc/81/53/27/385815327.db2.gz GCFREYDRNMSASD-HZSPNIEDSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCSC2)cc1C ZINC000222138149 388612882 /nfs/dbraw/zinc/61/28/82/388612882.db2.gz ARMAXVGGFTWPBV-ZIAGYGMSSA-N 1 0 249.423 3.768 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCSC2)cc1C ZINC000222138204 384624021 /nfs/dbraw/zinc/62/40/21/384624021.db2.gz ARMAXVGGFTWPBV-UONOGXRCSA-N 1 0 249.423 3.768 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCSC2)cc1C ZINC000222138258 388612431 /nfs/dbraw/zinc/61/24/31/388612431.db2.gz ARMAXVGGFTWPBV-KGLIPLIRSA-N 1 0 249.423 3.768 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCSC2)cc1C ZINC000222138312 388612578 /nfs/dbraw/zinc/61/25/78/388612578.db2.gz ARMAXVGGFTWPBV-KBPBESRZSA-N 1 0 249.423 3.768 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCSC2)cc1 ZINC000222138644 134330261 /nfs/dbraw/zinc/33/02/61/134330261.db2.gz HQTAMADMHSJWJC-HUUCEWRRSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCSC2)cc1 ZINC000222138705 134330287 /nfs/dbraw/zinc/33/02/87/134330287.db2.gz HQTAMADMHSJWJC-CABCVRRESA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@H]2CCSC2)cc1 ZINC000222138757 134330141 /nfs/dbraw/zinc/33/01/41/134330141.db2.gz HQTAMADMHSJWJC-LSDHHAIUSA-N 1 0 249.423 3.795 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@H]2CCSC2)cc1 ZINC000222138811 134330131 /nfs/dbraw/zinc/33/01/31/134330131.db2.gz HQTAMADMHSJWJC-GJZGRUSLSA-N 1 0 249.423 3.795 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccccc1OC ZINC000222161906 259522537 /nfs/dbraw/zinc/52/25/37/259522537.db2.gz LWLAYPBSIQOHPH-SNPRPXQTSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccccc1OC ZINC000222162016 388613592 /nfs/dbraw/zinc/61/35/92/388613592.db2.gz LWLAYPBSIQOHPH-VHDGCEQUSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)c(C)c1 ZINC000222171026 388615086 /nfs/dbraw/zinc/61/50/86/388615086.db2.gz NGMVBGGOFJFINF-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)c(C)c1 ZINC000222171078 388614775 /nfs/dbraw/zinc/61/47/75/388614775.db2.gz NGMVBGGOFJFINF-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000222171268 535540568 /nfs/dbraw/zinc/54/05/68/535540568.db2.gz YRTPWYGQPZILIE-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000222171327 134329993 /nfs/dbraw/zinc/32/99/93/134329993.db2.gz YRTPWYGQPZILIE-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000222171646 134330250 /nfs/dbraw/zinc/33/02/50/134330250.db2.gz RCNUPOWHBONNAN-CQSZACIVSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000222171695 535702373 /nfs/dbraw/zinc/70/23/73/535702373.db2.gz RCNUPOWHBONNAN-AWEZNQCLSA-N 1 0 217.356 3.918 20 0 BHADRO CC1(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000222172234 535157479 /nfs/dbraw/zinc/15/74/79/535157479.db2.gz MQIJFLJTLKAFPO-GFCCVEGCSA-N 1 0 233.380 3.613 20 0 BHADRO CC1(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000222172282 134330212 /nfs/dbraw/zinc/33/02/12/134330212.db2.gz MQIJFLJTLKAFPO-LBPRGKRZSA-N 1 0 233.380 3.613 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(C)CC2)c1 ZINC000222172346 259313034 /nfs/dbraw/zinc/31/30/34/259313034.db2.gz DVUPYIBHPIMBJN-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000222172399 259313052 /nfs/dbraw/zinc/31/30/52/259313052.db2.gz DVUPYIBHPIMBJN-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccs1 ZINC000222172455 535803095 /nfs/dbraw/zinc/80/30/95/535803095.db2.gz QKZCTORKIQMMSP-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cccs1 ZINC000222172506 134330001 /nfs/dbraw/zinc/33/00/01/134330001.db2.gz QKZCTORKIQMMSP-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)c(C)s1 ZINC000222173079 134329944 /nfs/dbraw/zinc/32/99/44/134329944.db2.gz CJFLEXMWCBHCHD-SNVBAGLBSA-N 1 0 223.385 3.816 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CC2)c(C)s1 ZINC000222173127 134330003 /nfs/dbraw/zinc/33/00/03/134330003.db2.gz CJFLEXMWCBHCHD-JTQLQIEISA-N 1 0 223.385 3.816 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CC1 ZINC000222173931 388614406 /nfs/dbraw/zinc/61/44/06/388614406.db2.gz FFLIRMCJBJUOTL-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CC1 ZINC000222173982 259522730 /nfs/dbraw/zinc/52/27/30/259522730.db2.gz FFLIRMCJBJUOTL-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C)CC1 ZINC000222174030 388614809 /nfs/dbraw/zinc/61/48/09/388614809.db2.gz FFLIRMCJBJUOTL-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C)CC1 ZINC000222174088 388614784 /nfs/dbraw/zinc/61/47/84/388614784.db2.gz FFLIRMCJBJUOTL-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(OC)cc1 ZINC000222175066 535803092 /nfs/dbraw/zinc/80/30/92/535803092.db2.gz JWSGTHSGBCWBJM-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccc(OC)cc1 ZINC000222175109 134330205 /nfs/dbraw/zinc/33/02/05/134330205.db2.gz JWSGTHSGBCWBJM-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc2c(c1)CCC2 ZINC000222175170 134330290 /nfs/dbraw/zinc/33/02/90/134330290.db2.gz MVCWZTRTQAUHRT-GFCCVEGCSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc2c(c1)CCC2 ZINC000222175224 134330272 /nfs/dbraw/zinc/33/02/72/134330272.db2.gz MVCWZTRTQAUHRT-LBPRGKRZSA-N 1 0 229.367 3.626 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000222175565 358150540 /nfs/dbraw/zinc/15/05/40/358150540.db2.gz JIXSNCJRRBIICR-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000222175926 358150532 /nfs/dbraw/zinc/15/05/32/358150532.db2.gz JIXSNCJRRBIICR-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000222176052 535158129 /nfs/dbraw/zinc/15/81/29/535158129.db2.gz FEZAQBZBFOSNPT-LLVKDONJSA-N 1 0 221.369 3.515 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000222176110 134330129 /nfs/dbraw/zinc/33/01/29/134330129.db2.gz FEZAQBZBFOSNPT-NSHDSACASA-N 1 0 221.369 3.515 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000222176336 535157121 /nfs/dbraw/zinc/15/71/21/535157121.db2.gz GWMNABLOGGXBFQ-CYBMUJFWSA-N 1 0 235.758 3.717 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000222176384 134330112 /nfs/dbraw/zinc/33/01/12/134330112.db2.gz GWMNABLOGGXBFQ-ZDUSSCGKSA-N 1 0 235.758 3.717 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222178587 388614848 /nfs/dbraw/zinc/61/48/48/388614848.db2.gz MDIHSPQAKAKLCQ-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222178641 259523240 /nfs/dbraw/zinc/52/32/40/259523240.db2.gz MDIHSPQAKAKLCQ-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cnc2ccsc2c1 ZINC000222180063 134330138 /nfs/dbraw/zinc/33/01/38/134330138.db2.gz NBLDAVXEJSVYBL-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cnc2ccsc2c1 ZINC000222180128 134330201 /nfs/dbraw/zinc/33/02/01/134330201.db2.gz NBLDAVXEJSVYBL-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222181225 535411094 /nfs/dbraw/zinc/41/10/94/535411094.db2.gz FJNVKBJIIOJMTP-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222181270 134330202 /nfs/dbraw/zinc/33/02/02/134330202.db2.gz FJNVKBJIIOJMTP-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222181829 134330067 /nfs/dbraw/zinc/33/00/67/134330067.db2.gz CMSWVAGKACVGTG-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222181877 134330252 /nfs/dbraw/zinc/33/02/52/134330252.db2.gz CMSWVAGKACVGTG-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1C ZINC000222183764 388614731 /nfs/dbraw/zinc/61/47/31/388614731.db2.gz RIWQUDIRZWKTHJ-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1C ZINC000222183823 388615004 /nfs/dbraw/zinc/61/50/04/388615004.db2.gz RIWQUDIRZWKTHJ-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222184017 259314554 /nfs/dbraw/zinc/31/45/54/259314554.db2.gz IYTCHDKHUGOVKQ-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222184063 259314725 /nfs/dbraw/zinc/31/47/25/259314725.db2.gz IYTCHDKHUGOVKQ-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)s1 ZINC000222184328 363155109 /nfs/dbraw/zinc/15/51/09/363155109.db2.gz MOJMVKLCJIXCSJ-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)s1 ZINC000222184379 134330209 /nfs/dbraw/zinc/33/02/09/134330209.db2.gz MOJMVKLCJIXCSJ-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cc2ccccc2o1 ZINC000222184710 134330000 /nfs/dbraw/zinc/33/00/00/134330000.db2.gz MOJVKVLZOFQDBN-LLVKDONJSA-N 1 0 229.323 3.884 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cc2ccccc2o1 ZINC000222184766 134330020 /nfs/dbraw/zinc/33/00/20/134330020.db2.gz MOJVKVLZOFQDBN-NSHDSACASA-N 1 0 229.323 3.884 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1Cl ZINC000222184853 259314795 /nfs/dbraw/zinc/31/47/95/259314795.db2.gz NTYFMYJLEQWUKU-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1Cl ZINC000222184920 388614867 /nfs/dbraw/zinc/61/48/67/388614867.db2.gz NTYFMYJLEQWUKU-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CC2(C)CC2)c1 ZINC000222185152 259314484 /nfs/dbraw/zinc/31/44/84/259314484.db2.gz LQXJGDJZPCLNOH-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000222185217 259522844 /nfs/dbraw/zinc/52/28/44/259522844.db2.gz LQXJGDJZPCLNOH-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222188156 388615061 /nfs/dbraw/zinc/61/50/61/388615061.db2.gz PNRMRTUEBIGGNA-GFCCVEGCSA-N 1 0 217.356 3.700 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000222188208 259530064 /nfs/dbraw/zinc/53/00/64/259530064.db2.gz PNRMRTUEBIGGNA-LBPRGKRZSA-N 1 0 217.356 3.700 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(C)cc1 ZINC000222188552 535803131 /nfs/dbraw/zinc/80/31/31/535803131.db2.gz CULMVVQJXMXNDN-CQSZACIVSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccc(C)cc1 ZINC000222188600 134330211 /nfs/dbraw/zinc/33/02/11/134330211.db2.gz CULMVVQJXMXNDN-AWEZNQCLSA-N 1 0 217.356 3.836 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C)CC2)s1 ZINC000222188679 259318940 /nfs/dbraw/zinc/31/89/40/259318940.db2.gz WGUAZVVGKHFNBX-SNVBAGLBSA-N 1 0 223.385 3.761 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C)CC2)s1 ZINC000222188727 388614658 /nfs/dbraw/zinc/61/46/58/388614658.db2.gz WGUAZVVGKHFNBX-JTQLQIEISA-N 1 0 223.385 3.761 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1OC ZINC000222188995 535803036 /nfs/dbraw/zinc/80/30/36/535803036.db2.gz KXRCMGFMKVQLQV-CYBMUJFWSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1OC ZINC000222189049 134330267 /nfs/dbraw/zinc/33/02/67/134330267.db2.gz KXRCMGFMKVQLQV-ZDUSSCGKSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000222192101 134329954 /nfs/dbraw/zinc/32/99/54/134329954.db2.gz RYEVYEXQSLHJRS-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000222192149 134329925 /nfs/dbraw/zinc/32/99/25/134329925.db2.gz RYEVYEXQSLHJRS-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000222192769 358150638 /nfs/dbraw/zinc/15/06/38/358150638.db2.gz OSVSYWIWBLAZAZ-SECBINFHSA-N 1 0 241.787 3.779 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000222192817 358150598 /nfs/dbraw/zinc/15/05/98/358150598.db2.gz OSVSYWIWBLAZAZ-VIFPVBQESA-N 1 0 241.787 3.779 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(Cl)c(F)c1 ZINC000222198235 358150659 /nfs/dbraw/zinc/15/06/59/358150659.db2.gz QIIUPNXMYBKRMH-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(Cl)c(F)c1 ZINC000222198288 358150478 /nfs/dbraw/zinc/15/04/78/358150478.db2.gz QIIUPNXMYBKRMH-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC1(CC)CC1 ZINC000222201284 388615486 /nfs/dbraw/zinc/61/54/86/388615486.db2.gz SYEKLHBYSYBNFQ-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC1(CC)CC1 ZINC000222201337 259534038 /nfs/dbraw/zinc/53/40/38/259534038.db2.gz SYEKLHBYSYBNFQ-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CC1(CC)CC1 ZINC000222201435 388615372 /nfs/dbraw/zinc/61/53/72/388615372.db2.gz VMHZVMSOUGIAAX-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CC1(CC)CC1 ZINC000222201496 388615504 /nfs/dbraw/zinc/61/55/04/388615504.db2.gz VMHZVMSOUGIAAX-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1ccc(OC)cc1 ZINC000222202530 535803103 /nfs/dbraw/zinc/80/31/03/535803103.db2.gz ZEKROKCVMPZYEB-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1ccc(OC)cc1 ZINC000222202586 535897990 /nfs/dbraw/zinc/89/79/90/535897990.db2.gz ZEKROKCVMPZYEB-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000222203607 259323255 /nfs/dbraw/zinc/32/32/55/259323255.db2.gz HTYMSTUYWWMJGD-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000222203667 259534048 /nfs/dbraw/zinc/53/40/48/259534048.db2.gz HTYMSTUYWWMJGD-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO CCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000222204253 398094929 /nfs/dbraw/zinc/09/49/29/398094929.db2.gz BZNSYBOUNWQQPM-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000222204300 259323335 /nfs/dbraw/zinc/32/33/35/259323335.db2.gz BZNSYBOUNWQQPM-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC2(CC)CC2)cc1 ZINC000222204525 259533974 /nfs/dbraw/zinc/53/39/74/259533974.db2.gz PXBNLYWUMYSGAD-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC2(CC)CC2)cc1 ZINC000222204582 259323389 /nfs/dbraw/zinc/32/33/89/259323389.db2.gz PXBNLYWUMYSGAD-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000222205344 398094964 /nfs/dbraw/zinc/09/49/64/398094964.db2.gz YVHSNYGLCOFGSB-CQSZACIVSA-N 1 0 249.785 3.587 20 0 BHADRO CCC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000222205399 398095038 /nfs/dbraw/zinc/09/50/38/398095038.db2.gz YVHSNYGLCOFGSB-AWEZNQCLSA-N 1 0 249.785 3.587 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1ccccc1OC ZINC000222207251 535803011 /nfs/dbraw/zinc/80/30/11/535803011.db2.gz BKHNFESBVKPMKB-CQSZACIVSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1ccccc1OC ZINC000222207305 535897774 /nfs/dbraw/zinc/89/77/74/535897774.db2.gz BKHNFESBVKPMKB-AWEZNQCLSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC000222207793 592471935 /nfs/dbraw/zinc/47/19/35/592471935.db2.gz HGLXLFCPYVDIFN-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1(C[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC000222207848 583178385 /nfs/dbraw/zinc/17/83/85/583178385.db2.gz HGLXLFCPYVDIFN-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000222208072 259323327 /nfs/dbraw/zinc/32/33/27/259323327.db2.gz VYOOZQADPFIBJI-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000222208135 398095050 /nfs/dbraw/zinc/09/50/50/398095050.db2.gz VYOOZQADPFIBJI-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000222208505 388615256 /nfs/dbraw/zinc/61/52/56/388615256.db2.gz OLNFVRRZPJDQRY-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000222208555 259323573 /nfs/dbraw/zinc/32/35/73/259323573.db2.gz OLNFVRRZPJDQRY-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000222208641 358158193 /nfs/dbraw/zinc/15/81/93/358158193.db2.gz DHACVNYXXXNNFJ-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000222208683 358157790 /nfs/dbraw/zinc/15/77/90/358157790.db2.gz DHACVNYXXXNNFJ-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000222209533 535297633 /nfs/dbraw/zinc/29/76/33/535297633.db2.gz RJVUELPZEHNBBL-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000222209566 134330887 /nfs/dbraw/zinc/33/08/87/134330887.db2.gz RJVUELPZEHNBBL-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000222210604 388615551 /nfs/dbraw/zinc/61/55/51/388615551.db2.gz YRESRLZJCBFWAW-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000222210658 388616482 /nfs/dbraw/zinc/61/64/82/388616482.db2.gz YRESRLZJCBFWAW-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CC1(C)CCC1 ZINC000222210742 388616418 /nfs/dbraw/zinc/61/64/18/388616418.db2.gz RMHLKBFBQIPIML-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CC1(C)CCC1 ZINC000222210801 259534263 /nfs/dbraw/zinc/53/42/63/259534263.db2.gz RMHLKBFBQIPIML-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1ccc(OC)cc1 ZINC000222211833 535803068 /nfs/dbraw/zinc/80/30/68/535803068.db2.gz RWBJOBPGWGOEKS-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1ccc(OC)cc1 ZINC000222211881 535897004 /nfs/dbraw/zinc/89/70/04/535897004.db2.gz RWBJOBPGWGOEKS-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CCC1)CC2 ZINC000222213370 388616266 /nfs/dbraw/zinc/61/62/66/388616266.db2.gz PADGRVLCAWMYMO-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CCC1)CC2 ZINC000222213421 388615940 /nfs/dbraw/zinc/61/59/40/388615940.db2.gz PADGRVLCAWMYMO-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CCC1 ZINC000222213883 388615815 /nfs/dbraw/zinc/61/58/15/388615815.db2.gz UUQSDNPLOHWIGI-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CCC1 ZINC000222213933 259534315 /nfs/dbraw/zinc/53/43/15/259534315.db2.gz UUQSDNPLOHWIGI-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000222214176 388615749 /nfs/dbraw/zinc/61/57/49/388615749.db2.gz DSIQWBWSUUWSTQ-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000222214231 259534249 /nfs/dbraw/zinc/53/42/49/259534249.db2.gz DSIQWBWSUUWSTQ-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000222214868 343502222 /nfs/dbraw/zinc/50/22/22/343502222.db2.gz MHKGNYKOKUJOFS-CQSZACIVSA-N 1 0 249.785 3.587 20 0 BHADRO CC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000222214931 388615964 /nfs/dbraw/zinc/61/59/64/388615964.db2.gz MHKGNYKOKUJOFS-AWEZNQCLSA-N 1 0 249.785 3.587 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1OC ZINC000222216148 535803015 /nfs/dbraw/zinc/80/30/15/535803015.db2.gz PVYBRQUMFCAIDQ-CQSZACIVSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1ccccc1OC ZINC000222216197 535898134 /nfs/dbraw/zinc/89/81/34/535898134.db2.gz PVYBRQUMFCAIDQ-AWEZNQCLSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1(C)CCC1 ZINC000222216676 592472551 /nfs/dbraw/zinc/47/25/51/592472551.db2.gz XKYZRCSHWJAECO-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CC1(C)CCC1 ZINC000222216730 592471921 /nfs/dbraw/zinc/47/19/21/592471921.db2.gz XKYZRCSHWJAECO-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000222216956 343509031 /nfs/dbraw/zinc/50/90/31/343509031.db2.gz XJFQICRJSUHPSU-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000222217007 324184347 /nfs/dbraw/zinc/18/43/47/324184347.db2.gz XJFQICRJSUHPSU-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cc(F)cc(F)c1 ZINC000222217327 324184565 /nfs/dbraw/zinc/18/45/65/324184565.db2.gz TYNMWQXPZSXFSD-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cc(F)cc(F)c1 ZINC000222217381 324184621 /nfs/dbraw/zinc/18/46/21/324184621.db2.gz TYNMWQXPZSXFSD-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000222217463 358157931 /nfs/dbraw/zinc/15/79/31/358157931.db2.gz HLAUSVDIRNOOBO-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000222217509 358158441 /nfs/dbraw/zinc/15/84/41/358158441.db2.gz HLAUSVDIRNOOBO-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCC1 ZINC000222218081 535158102 /nfs/dbraw/zinc/15/81/02/535158102.db2.gz FGVOGHBBQVVZOK-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCC1 ZINC000222218130 134330885 /nfs/dbraw/zinc/33/08/85/134330885.db2.gz FGVOGHBBQVVZOK-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000222220445 322910503 /nfs/dbraw/zinc/91/05/03/322910503.db2.gz HJAASXCHKFEKPF-CYBMUJFWSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000222220501 384354190 /nfs/dbraw/zinc/35/41/90/384354190.db2.gz HJAASXCHKFEKPF-ZDUSSCGKSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000222221025 324184326 /nfs/dbraw/zinc/18/43/26/324184326.db2.gz AHOCYEGFJRWETL-OAHLLOKOSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000222221083 384354216 /nfs/dbraw/zinc/35/42/16/384354216.db2.gz AHOCYEGFJRWETL-HNNXBMFYSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000222222789 324184603 /nfs/dbraw/zinc/18/46/03/324184603.db2.gz OSSKWLZMKSYYRT-ZDUSSCGKSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000222222840 324184443 /nfs/dbraw/zinc/18/44/43/324184443.db2.gz OSSKWLZMKSYYRT-CYBMUJFWSA-N 1 0 249.373 3.783 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000222222920 324184503 /nfs/dbraw/zinc/18/45/03/324184503.db2.gz QVFCVVRKMDHZLE-CYBMUJFWSA-N 1 0 247.382 3.782 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000222222975 324184623 /nfs/dbraw/zinc/18/46/23/324184623.db2.gz QVFCVVRKMDHZLE-ZDUSSCGKSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000222223585 324184337 /nfs/dbraw/zinc/18/43/37/324184337.db2.gz JGESIUBPAGOGRK-MRXNPFEDSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000222223640 324184599 /nfs/dbraw/zinc/18/45/99/324184599.db2.gz JGESIUBPAGOGRK-INIZCTEOSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC000222225632 592471975 /nfs/dbraw/zinc/47/19/75/592471975.db2.gz RSBWBZZFZBAHLK-ZDUSSCGKSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC000222225697 592472519 /nfs/dbraw/zinc/47/25/19/592472519.db2.gz RSBWBZZFZBAHLK-CYBMUJFWSA-N 1 0 249.373 3.783 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1 ZINC000222226552 388615937 /nfs/dbraw/zinc/61/59/37/388615937.db2.gz JKZOKRPFQVZEDO-CYBMUJFWSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2(C(C)C)CC2)cc1 ZINC000222226608 384383176 /nfs/dbraw/zinc/38/31/76/384383176.db2.gz JKZOKRPFQVZEDO-ZDUSSCGKSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000222226824 259534780 /nfs/dbraw/zinc/53/47/80/259534780.db2.gz QFVCLNRQJPAUGZ-OAHLLOKOSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000222226896 322912114 /nfs/dbraw/zinc/91/21/14/322912114.db2.gz QFVCLNRQJPAUGZ-HNNXBMFYSA-N 1 0 247.357 3.839 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000222248999 384423056 /nfs/dbraw/zinc/42/30/56/384423056.db2.gz HYQIAWVCQMOBDC-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(C)CCOCC1 ZINC000222249058 324185552 /nfs/dbraw/zinc/18/55/52/324185552.db2.gz HYQIAWVCQMOBDC-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000222249113 324185482 /nfs/dbraw/zinc/18/54/82/324185482.db2.gz HYQIAWVCQMOBDC-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000222249164 324185350 /nfs/dbraw/zinc/18/53/50/324185350.db2.gz HYQIAWVCQMOBDC-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)C1(C)CC1 ZINC000222265003 398096757 /nfs/dbraw/zinc/09/67/57/398096757.db2.gz KWMGVSKRURKLBW-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)C1(C)CC1 ZINC000222265061 388617622 /nfs/dbraw/zinc/61/76/22/388617622.db2.gz KWMGVSKRURKLBW-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1ccccn1 ZINC000222265651 175866850 /nfs/dbraw/zinc/86/68/50/175866850.db2.gz QYHUGSXQWNJOSZ-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1ccccn1 ZINC000222265699 398123985 /nfs/dbraw/zinc/12/39/85/398123985.db2.gz QYHUGSXQWNJOSZ-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1nccs1 ZINC000222266094 134330877 /nfs/dbraw/zinc/33/08/77/134330877.db2.gz ZGWAIQQHWGMZFH-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1nccs1 ZINC000222266151 134330938 /nfs/dbraw/zinc/33/09/38/134330938.db2.gz ZGWAIQQHWGMZFH-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCCCC1)C1CC1 ZINC000222266353 259536350 /nfs/dbraw/zinc/53/63/50/259536350.db2.gz FDHQJSFGIFHEKK-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCCCC1)C1CC1 ZINC000222266412 388617851 /nfs/dbraw/zinc/61/78/51/388617851.db2.gz FDHQJSFGIFHEKK-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1ccoc1 ZINC000222266933 358157813 /nfs/dbraw/zinc/15/78/13/358157813.db2.gz RHPDOTZJNFSSEX-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1ccoc1 ZINC000222266982 358158219 /nfs/dbraw/zinc/15/82/19/358158219.db2.gz RHPDOTZJNFSSEX-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1ccco1 ZINC000222268920 388617210 /nfs/dbraw/zinc/61/72/10/388617210.db2.gz NIAHXABZLJHUDN-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1ccco1 ZINC000222268969 259324770 /nfs/dbraw/zinc/32/47/70/259324770.db2.gz NIAHXABZLJHUDN-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1cscn1 ZINC000222269426 358158333 /nfs/dbraw/zinc/15/83/33/358158333.db2.gz REMQNSBESLKPKW-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1cscn1 ZINC000222269484 358158094 /nfs/dbraw/zinc/15/80/94/358158094.db2.gz REMQNSBESLKPKW-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CC1(C[NH2+]C(C2CC2)C2CC2)CCCCC1 ZINC000222269896 358157807 /nfs/dbraw/zinc/15/78/07/358157807.db2.gz PEEYUWXSTRWHAY-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1cncs1 ZINC000222270399 259536710 /nfs/dbraw/zinc/53/67/10/259536710.db2.gz GMZVEZLDFCCYDF-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1cncs1 ZINC000222270455 388617196 /nfs/dbraw/zinc/61/71/96/388617196.db2.gz GMZVEZLDFCCYDF-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC1(C)CCCCC1 ZINC000222270769 259417360 /nfs/dbraw/zinc/41/73/60/259417360.db2.gz PJHHGJZZGJWKQN-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC1(C)CCCCC1 ZINC000222270823 259536368 /nfs/dbraw/zinc/53/63/68/259536368.db2.gz PJHHGJZZGJWKQN-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]CC2(C)CCCCC2)cn1 ZINC000222270903 134331011 /nfs/dbraw/zinc/33/10/11/134331011.db2.gz HJDGLHYQISMNQT-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1cc([C@H](C)[NH2+]CC2(C)CCCCC2)cn1 ZINC000222270958 134331036 /nfs/dbraw/zinc/33/10/36/134331036.db2.gz HJDGLHYQISMNQT-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2C=CCCC2)C[C@H](C)C1 ZINC000222272804 388616953 /nfs/dbraw/zinc/61/69/53/388616953.db2.gz WVNMFYXYEURLEQ-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000222277657 388618239 /nfs/dbraw/zinc/61/82/39/388618239.db2.gz PCMYQMORCZILDF-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000222277780 388618309 /nfs/dbraw/zinc/61/83/09/388618309.db2.gz PCMYQMORCZILDF-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC000222282789 388618484 /nfs/dbraw/zinc/61/84/84/388618484.db2.gz UTBANHLLRCQDMA-LLVKDONJSA-N 1 0 239.334 3.503 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC000222282843 388618298 /nfs/dbraw/zinc/61/82/98/388618298.db2.gz UTBANHLLRCQDMA-NSHDSACASA-N 1 0 239.334 3.503 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000222296411 384461830 /nfs/dbraw/zinc/46/18/30/384461830.db2.gz LJRHLVYHFNBBPG-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000222296467 388619985 /nfs/dbraw/zinc/61/99/85/388619985.db2.gz LJRHLVYHFNBBPG-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000222296881 388620192 /nfs/dbraw/zinc/62/01/92/388620192.db2.gz BFPSHYRRTRSTHS-OAHLLOKOSA-N 1 0 229.367 3.844 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000222296941 388619812 /nfs/dbraw/zinc/61/98/12/388619812.db2.gz BFPSHYRRTRSTHS-HNNXBMFYSA-N 1 0 229.367 3.844 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000222297756 134331462 /nfs/dbraw/zinc/33/14/62/134331462.db2.gz VVQGFTDCSOUEHA-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000222297812 134331469 /nfs/dbraw/zinc/33/14/69/134331469.db2.gz VVQGFTDCSOUEHA-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000222298863 388620150 /nfs/dbraw/zinc/62/01/50/388620150.db2.gz WTGHLGDWEFFJTB-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000222298914 388619868 /nfs/dbraw/zinc/61/98/68/388619868.db2.gz WTGHLGDWEFFJTB-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000222298997 388620016 /nfs/dbraw/zinc/62/00/16/388620016.db2.gz AYAOSWGIRVESOK-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000222299051 384463685 /nfs/dbraw/zinc/46/36/85/384463685.db2.gz AYAOSWGIRVESOK-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000222302224 259538185 /nfs/dbraw/zinc/53/81/85/259538185.db2.gz RMZXBBHADBLHOS-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000222302280 388620757 /nfs/dbraw/zinc/62/07/57/388620757.db2.gz RMZXBBHADBLHOS-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000222340574 490631801 /nfs/dbraw/zinc/63/18/01/490631801.db2.gz YHQCHDVOBWFGRR-RRFJBIMHSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000222340678 490631090 /nfs/dbraw/zinc/63/10/90/490631090.db2.gz YHQCHDVOBWFGRR-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000222356691 259552420 /nfs/dbraw/zinc/55/24/20/259552420.db2.gz NUNUYGBBSWVHLL-INIZCTEOSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000222356748 388631593 /nfs/dbraw/zinc/63/15/93/388631593.db2.gz NUNUYGBBSWVHLL-MRXNPFEDSA-N 1 0 243.394 3.788 20 0 BHADRO CCCC(CCC)[NH2+]CC1(C2CC2)CC1 ZINC000222356829 388632259 /nfs/dbraw/zinc/63/22/59/388632259.db2.gz MQPIXTBLPJHSFA-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000222359065 259326892 /nfs/dbraw/zinc/32/68/92/259326892.db2.gz ROGBAVMTSMSNBE-INIZCTEOSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000222359123 259552253 /nfs/dbraw/zinc/55/22/53/259552253.db2.gz ROGBAVMTSMSNBE-MRXNPFEDSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000222359641 388633295 /nfs/dbraw/zinc/63/32/95/388633295.db2.gz CZOCQERYCAONLW-CYBMUJFWSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000222359702 259552322 /nfs/dbraw/zinc/55/23/22/259552322.db2.gz CZOCQERYCAONLW-ZDUSSCGKSA-N 1 0 229.367 3.836 20 0 BHADRO C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1(C2CC2)CC1 ZINC000222360739 388633522 /nfs/dbraw/zinc/63/35/22/388633522.db2.gz XYGVNGDFCCNACY-UKRRQHHQSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1(C2CC2)CC1 ZINC000222360784 388633340 /nfs/dbraw/zinc/63/33/40/388633340.db2.gz XYGVNGDFCCNACY-HIFRSBDPSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1(C2CC2)CC1 ZINC000222360839 388633286 /nfs/dbraw/zinc/63/32/86/388633286.db2.gz XYGVNGDFCCNACY-DZGCQCFKSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1(C2CC2)CC1 ZINC000222360877 259552409 /nfs/dbraw/zinc/55/24/09/259552409.db2.gz XYGVNGDFCCNACY-ZFWWWQNUSA-N 1 0 233.399 3.735 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1(C2CC2)CC1 ZINC000222362403 592478837 /nfs/dbraw/zinc/47/88/37/592478837.db2.gz YTMVPUIBMFWIEF-LBPRGKRZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CC1(C2CC2)CC1 ZINC000222362459 592479423 /nfs/dbraw/zinc/47/94/23/592479423.db2.gz YTMVPUIBMFWIEF-GFCCVEGCSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1=CCCC1 ZINC000222384059 384827445 /nfs/dbraw/zinc/82/74/45/384827445.db2.gz VXXCCVFGOGCLAN-ZDUSSCGKSA-N 1 0 247.357 3.847 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCC1=CCCC1 ZINC000222384130 388633784 /nfs/dbraw/zinc/63/37/84/388633784.db2.gz VXXCCVFGOGCLAN-CYBMUJFWSA-N 1 0 247.357 3.847 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCc3ccccc3C2)CCC1 ZINC000222385484 259553477 /nfs/dbraw/zinc/55/34/77/259553477.db2.gz NTBAZHDMJWADLM-QGZVFWFLSA-N 1 0 241.378 3.634 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCc3ccccc3C2)CCC1 ZINC000222385534 388633835 /nfs/dbraw/zinc/63/38/35/388633835.db2.gz NTBAZHDMJWADLM-KRWDZBQOSA-N 1 0 241.378 3.634 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000222385618 384825286 /nfs/dbraw/zinc/82/52/86/384825286.db2.gz YCQLELVBOCQCIG-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCC1=CCCC1 ZINC000222385678 388633467 /nfs/dbraw/zinc/63/34/67/388633467.db2.gz YCQLELVBOCQCIG-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCC1=CCCC1 ZINC000222387509 583178095 /nfs/dbraw/zinc/17/80/95/583178095.db2.gz VWSJSAKUZDCYBD-ZDUSSCGKSA-N 1 0 247.357 3.847 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CCC1=CCCC1 ZINC000222387564 592478906 /nfs/dbraw/zinc/47/89/06/592478906.db2.gz VWSJSAKUZDCYBD-CYBMUJFWSA-N 1 0 247.357 3.847 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000222415868 490636903 /nfs/dbraw/zinc/63/69/03/490636903.db2.gz JEYQKERJPWKKPN-ZIAGYGMSSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000222415927 490636886 /nfs/dbraw/zinc/63/68/86/490636886.db2.gz JEYQKERJPWKKPN-UONOGXRCSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000222415977 490637026 /nfs/dbraw/zinc/63/70/26/490637026.db2.gz JEYQKERJPWKKPN-KGLIPLIRSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000222416037 490636557 /nfs/dbraw/zinc/63/65/57/490636557.db2.gz JEYQKERJPWKKPN-KBPBESRZSA-N 1 0 241.419 3.893 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222447113 259327633 /nfs/dbraw/zinc/32/76/33/259327633.db2.gz XTBJESVALVMQQK-KKOKHZNYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222448459 259554275 /nfs/dbraw/zinc/55/42/75/259554275.db2.gz IUDPLQNDNKELIG-YUSALJHKSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222448577 388634864 /nfs/dbraw/zinc/63/48/64/388634864.db2.gz IUDPLQNDNKELIG-JLLWLGSASA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453717 386045829 /nfs/dbraw/zinc/04/58/29/386045829.db2.gz FIRYZAAKOLFCEH-SWLSCSKDSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453764 386047739 /nfs/dbraw/zinc/04/77/39/386047739.db2.gz FIRYZAAKOLFCEH-WFASDCNBSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453830 386046794 /nfs/dbraw/zinc/04/67/94/386046794.db2.gz FIRYZAAKOLFCEH-IUODEOHRSA-N 1 0 243.354 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453898 386046275 /nfs/dbraw/zinc/04/62/75/386046275.db2.gz FIRYZAAKOLFCEH-DOMZBBRYSA-N 1 0 243.354 3.602 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000222458771 388636140 /nfs/dbraw/zinc/63/61/40/388636140.db2.gz WBPYZLQNPZEYLU-GZBFAFLISA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000222458826 259554923 /nfs/dbraw/zinc/55/49/23/259554923.db2.gz WBPYZLQNPZEYLU-KCQAQPDRSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000222458881 259554598 /nfs/dbraw/zinc/55/45/98/259554598.db2.gz WBPYZLQNPZEYLU-GUTXKFCHSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000222458946 259327826 /nfs/dbraw/zinc/32/78/26/259327826.db2.gz WBPYZLQNPZEYLU-YDHLFZDLSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1cn[nH]c1 ZINC000222461889 134332227 /nfs/dbraw/zinc/33/22/27/134332227.db2.gz LALNCFYZDVDOGX-LMWSTFAQSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1cn[nH]c1 ZINC000222461945 134331905 /nfs/dbraw/zinc/33/19/05/134331905.db2.gz LALNCFYZDVDOGX-XGNXJENSSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000222471096 388636160 /nfs/dbraw/zinc/63/61/60/388636160.db2.gz MMDOGWHCRPHIBQ-LBPRGKRZSA-N 1 0 237.391 3.521 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000222471154 259554591 /nfs/dbraw/zinc/55/45/91/259554591.db2.gz MMDOGWHCRPHIBQ-GFCCVEGCSA-N 1 0 237.391 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498365 350242129 /nfs/dbraw/zinc/24/21/29/350242129.db2.gz DGEJHXQGUAABPQ-SWLSCSKDSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498431 386048866 /nfs/dbraw/zinc/04/88/66/386048866.db2.gz DGEJHXQGUAABPQ-WFASDCNBSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498479 350242466 /nfs/dbraw/zinc/24/24/66/350242466.db2.gz DGEJHXQGUAABPQ-IUODEOHRSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498546 386049317 /nfs/dbraw/zinc/04/93/17/386049317.db2.gz DGEJHXQGUAABPQ-DOMZBBRYSA-N 1 0 243.354 3.520 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccccc1 ZINC000222526493 386050117 /nfs/dbraw/zinc/05/01/17/386050117.db2.gz OHFFHTYZJVKBCJ-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccccc1 ZINC000222526563 386049341 /nfs/dbraw/zinc/04/93/41/386049341.db2.gz OHFFHTYZJVKBCJ-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccccc1 ZINC000222526617 386048717 /nfs/dbraw/zinc/04/87/17/386048717.db2.gz OHFFHTYZJVKBCJ-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@H](C)CO)c1ccccc1 ZINC000222526678 169511057 /nfs/dbraw/zinc/51/10/57/169511057.db2.gz OHFFHTYZJVKBCJ-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCSC(F)(F)F ZINC000222543226 592484595 /nfs/dbraw/zinc/48/45/95/592484595.db2.gz SXVPFFHAKWSKFT-SECBINFHSA-N 1 0 243.338 3.798 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCSC(F)(F)F ZINC000222543288 592484679 /nfs/dbraw/zinc/48/46/79/592484679.db2.gz SXVPFFHAKWSKFT-VIFPVBQESA-N 1 0 243.338 3.798 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222579328 388641017 /nfs/dbraw/zinc/64/10/17/388641017.db2.gz NAFSAKDWOMKYJI-RWMBFGLXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222579458 388640378 /nfs/dbraw/zinc/64/03/78/388640378.db2.gz NAFSAKDWOMKYJI-AVGNSLFASA-N 1 0 237.362 3.781 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]1C ZINC000222579597 259558259 /nfs/dbraw/zinc/55/82/59/259558259.db2.gz COWZWQAETLIGCL-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H]1C ZINC000222579727 388640889 /nfs/dbraw/zinc/64/08/89/388640889.db2.gz COWZWQAETLIGCL-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222580415 388640266 /nfs/dbraw/zinc/64/02/66/388640266.db2.gz OOKNBVKNBCOBFO-OLZOCXBDSA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222580494 388640912 /nfs/dbraw/zinc/64/09/12/388640912.db2.gz OOKNBVKNBCOBFO-STQMWFEESA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000222580554 388640726 /nfs/dbraw/zinc/64/07/26/388640726.db2.gz OOKNBVKNBCOBFO-CHWSQXEVSA-N 1 0 237.362 3.781 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000222580621 388640683 /nfs/dbraw/zinc/64/06/83/388640683.db2.gz OOKNBVKNBCOBFO-QWHCGFSZSA-N 1 0 237.362 3.781 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222581003 259558237 /nfs/dbraw/zinc/55/82/37/259558237.db2.gz BZOJRTPCVCRGRD-OLZOCXBDSA-N 1 0 237.362 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000222581066 388640757 /nfs/dbraw/zinc/64/07/57/388640757.db2.gz BZOJRTPCVCRGRD-STQMWFEESA-N 1 0 237.362 3.925 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000222581123 259328543 /nfs/dbraw/zinc/32/85/43/259328543.db2.gz BZOJRTPCVCRGRD-CHWSQXEVSA-N 1 0 237.362 3.925 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000222581181 259328478 /nfs/dbraw/zinc/32/84/78/259328478.db2.gz BZOJRTPCVCRGRD-QWHCGFSZSA-N 1 0 237.362 3.925 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000222581278 259328406 /nfs/dbraw/zinc/32/84/06/259328406.db2.gz KYMIZPINHMXWMG-MBNYWOFBSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000222581344 259557931 /nfs/dbraw/zinc/55/79/31/259557931.db2.gz KYMIZPINHMXWMG-YRGRVCCFSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000222581405 388640718 /nfs/dbraw/zinc/64/07/18/388640718.db2.gz KYMIZPINHMXWMG-DYEKYZERSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000222581468 388640680 /nfs/dbraw/zinc/64/06/80/388640680.db2.gz KYMIZPINHMXWMG-BZPMIXESSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c1 ZINC000222599915 259558730 /nfs/dbraw/zinc/55/87/30/259558730.db2.gz HRIODBWGKYIVMK-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c1 ZINC000222599973 388640665 /nfs/dbraw/zinc/64/06/65/388640665.db2.gz HRIODBWGKYIVMK-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c1 ZINC000222600035 322938445 /nfs/dbraw/zinc/93/84/45/322938445.db2.gz HRIODBWGKYIVMK-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)c1 ZINC000222600100 388640849 /nfs/dbraw/zinc/64/08/49/388640849.db2.gz HRIODBWGKYIVMK-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)CCCC(C)C)c1 ZINC000222603152 134333862 /nfs/dbraw/zinc/33/38/62/134333862.db2.gz OTESYVRPJOTGDO-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)CCCC(C)C)c1 ZINC000222603217 134333716 /nfs/dbraw/zinc/33/37/16/134333716.db2.gz OTESYVRPJOTGDO-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cncc(C[NH2+]C2CCCCCCC2)c1 ZINC000222604722 583178833 /nfs/dbraw/zinc/17/88/33/583178833.db2.gz NZHCNUWQSSSOCF-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000222605144 583178938 /nfs/dbraw/zinc/17/89/38/583178938.db2.gz KAFFPJKVYYLJPF-CQSZACIVSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000222605206 583178729 /nfs/dbraw/zinc/17/87/29/583178729.db2.gz KAFFPJKVYYLJPF-AWEZNQCLSA-N 1 0 234.387 3.839 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000222666345 259329229 /nfs/dbraw/zinc/32/92/29/259329229.db2.gz ZDGCQSRZLORSGT-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CCC1 ZINC000222666413 388643107 /nfs/dbraw/zinc/64/31/07/388643107.db2.gz ZDGCQSRZLORSGT-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cncs1 ZINC000222666482 259558375 /nfs/dbraw/zinc/55/83/75/259558375.db2.gz FDLBSTVQQOQFKH-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cncs1 ZINC000222666548 388642347 /nfs/dbraw/zinc/64/23/47/388642347.db2.gz FDLBSTVQQOQFKH-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000222667105 388643208 /nfs/dbraw/zinc/64/32/08/388643208.db2.gz DEUUCBNDVPHQDZ-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000222667237 259559058 /nfs/dbraw/zinc/55/90/58/259559058.db2.gz DEUUCBNDVPHQDZ-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000222669361 388642852 /nfs/dbraw/zinc/64/28/52/388642852.db2.gz RZCORQXHOZDOHR-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000222669423 388642321 /nfs/dbraw/zinc/64/23/21/388642321.db2.gz RZCORQXHOZDOHR-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000222670392 259559432 /nfs/dbraw/zinc/55/94/32/259559432.db2.gz LSJJNRYNMZIDFW-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000222670503 388642523 /nfs/dbraw/zinc/64/25/23/388642523.db2.gz LSJJNRYNMZIDFW-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000222670685 388642340 /nfs/dbraw/zinc/64/23/40/388642340.db2.gz RDDWSHZWBJNHOC-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000222670751 388642421 /nfs/dbraw/zinc/64/24/21/388642421.db2.gz RDDWSHZWBJNHOC-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000222670922 343318854 /nfs/dbraw/zinc/31/88/54/343318854.db2.gz VPCRXTCHZHEKAT-JHJVBQTASA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000222670977 487678473 /nfs/dbraw/zinc/67/84/73/487678473.db2.gz VPCRXTCHZHEKAT-UPJWGTAASA-N 1 0 221.344 3.757 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222676315 592499417 /nfs/dbraw/zinc/49/94/17/592499417.db2.gz NHKFCYOGCKXYTR-RWMBFGLXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222676413 592499544 /nfs/dbraw/zinc/49/95/44/592499544.db2.gz NHKFCYOGCKXYTR-AVGNSLFASA-N 1 0 237.362 3.781 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cccc(F)c1F ZINC000222717430 388644182 /nfs/dbraw/zinc/64/41/82/388644182.db2.gz VBDKGNSWWLYANJ-SNVBAGLBSA-N 1 0 239.309 3.948 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cccc(F)c1F ZINC000222717488 388644074 /nfs/dbraw/zinc/64/40/74/388644074.db2.gz VBDKGNSWWLYANJ-JTQLQIEISA-N 1 0 239.309 3.948 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222718960 259329081 /nfs/dbraw/zinc/32/90/81/259329081.db2.gz PIGDKUUYPKKUQP-GMTAPVOTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719024 388644040 /nfs/dbraw/zinc/64/40/40/388644040.db2.gz PIGDKUUYPKKUQP-OUAUKWLOSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719075 388643479 /nfs/dbraw/zinc/64/34/79/388643479.db2.gz PIGDKUUYPKKUQP-MXWKQRLJSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719147 259328992 /nfs/dbraw/zinc/32/89/92/259328992.db2.gz PIGDKUUYPKKUQP-VWYCJHECSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc(F)c1F ZINC000222720408 388644225 /nfs/dbraw/zinc/64/42/25/388644225.db2.gz YRKRFEPAMUPZTL-OUJBWJOFSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc(F)c1F ZINC000222720518 388644161 /nfs/dbraw/zinc/64/41/61/388644161.db2.gz YRKRFEPAMUPZTL-KWBADKCTSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000222763497 386065391 /nfs/dbraw/zinc/06/53/91/386065391.db2.gz NUZROBOHXPVHDF-OFQRWUPVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000222763617 177918327 /nfs/dbraw/zinc/91/83/27/177918327.db2.gz NUZROBOHXPVHDF-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000222771281 388643596 /nfs/dbraw/zinc/64/35/96/388643596.db2.gz PESMKGUSANNFEQ-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000222771408 259560568 /nfs/dbraw/zinc/56/05/68/259560568.db2.gz PESMKGUSANNFEQ-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000222772682 388643670 /nfs/dbraw/zinc/64/36/70/388643670.db2.gz NWVWOHAGAVVYFK-UONOGXRCSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000222772739 388644420 /nfs/dbraw/zinc/64/44/20/388644420.db2.gz NWVWOHAGAVVYFK-KBPBESRZSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000222772796 388644472 /nfs/dbraw/zinc/64/44/72/388644472.db2.gz NWVWOHAGAVVYFK-ZIAGYGMSSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000222772860 388644506 /nfs/dbraw/zinc/64/45/06/388644506.db2.gz NWVWOHAGAVVYFK-KGLIPLIRSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000222783541 491133592 /nfs/dbraw/zinc/13/35/92/491133592.db2.gz JYROSLNAHNTICR-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000222783605 491133596 /nfs/dbraw/zinc/13/35/96/491133596.db2.gz JYROSLNAHNTICR-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000222814973 388645170 /nfs/dbraw/zinc/64/51/70/388645170.db2.gz GRRUXKFSYDAELW-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000222815040 388645018 /nfs/dbraw/zinc/64/50/18/388645018.db2.gz GRRUXKFSYDAELW-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000222815596 388644902 /nfs/dbraw/zinc/64/49/02/388644902.db2.gz CVVJZIGBIIZKSO-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000222815654 388644907 /nfs/dbraw/zinc/64/49/07/388644907.db2.gz CVVJZIGBIIZKSO-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]C(C1CC1)C1CC1 ZINC000222821895 583179239 /nfs/dbraw/zinc/17/92/39/583179239.db2.gz FALMBRNIAONNBS-NSHDSACASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]C(C1CC1)C1CC1 ZINC000222821954 583179217 /nfs/dbraw/zinc/17/92/17/583179217.db2.gz FALMBRNIAONNBS-LLVKDONJSA-N 1 0 247.357 3.535 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000222826642 351034459 /nfs/dbraw/zinc/03/44/59/351034459.db2.gz YHCNJEWDZZQARB-MGPQQGTHSA-N 1 0 239.428 3.607 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000222827011 388645109 /nfs/dbraw/zinc/64/51/09/388645109.db2.gz LWESDKUKDFVRSA-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000222827129 259561161 /nfs/dbraw/zinc/56/11/61/259561161.db2.gz LWESDKUKDFVRSA-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](O)c1ccccc1 ZINC000222873434 171296623 /nfs/dbraw/zinc/29/66/23/171296623.db2.gz RKVNZNZVULFNSN-NUEKZKHPSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](O)c1ccccc1 ZINC000222873561 171299598 /nfs/dbraw/zinc/29/95/98/171299598.db2.gz RKVNZNZVULFNSN-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000222885420 583179185 /nfs/dbraw/zinc/17/91/85/583179185.db2.gz ATVKHASKSCCFEU-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000222885478 259561672 /nfs/dbraw/zinc/56/16/72/259561672.db2.gz ATVKHASKSCCFEU-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO CC(C)(C)C1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000222916659 259562001 /nfs/dbraw/zinc/56/20/01/259562001.db2.gz UZVNUNSCUMHDAX-WXRRBKDZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)C1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000222916723 388646297 /nfs/dbraw/zinc/64/62/97/388646297.db2.gz UZVNUNSCUMHDAX-BPCQOVAHSA-N 1 0 241.444 3.686 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1 ZINC000222922133 711753981 /nfs/dbraw/zinc/75/39/81/711753981.db2.gz CACRIWUXLDNQJR-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2cncs2)cc1 ZINC000222922197 711753951 /nfs/dbraw/zinc/75/39/51/711753951.db2.gz CACRIWUXLDNQJR-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1 ZINC000222923396 388646489 /nfs/dbraw/zinc/64/64/89/388646489.db2.gz DRGYCQURQXZPGI-JTQLQIEISA-N 1 0 245.288 3.680 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1 ZINC000222923451 388645901 /nfs/dbraw/zinc/64/59/01/388645901.db2.gz DRGYCQURQXZPGI-SNVBAGLBSA-N 1 0 245.288 3.680 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000222928242 388646181 /nfs/dbraw/zinc/64/61/81/388646181.db2.gz VLAGYXANBHLKKA-HZSPNIEDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000222928361 259331090 /nfs/dbraw/zinc/33/10/90/259331090.db2.gz VLAGYXANBHLKKA-RDBSUJKOSA-N 1 0 247.382 3.925 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000222930776 388646601 /nfs/dbraw/zinc/64/66/01/388646601.db2.gz PJWFNYYEIUENMD-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000222930835 388646268 /nfs/dbraw/zinc/64/62/68/388646268.db2.gz PJWFNYYEIUENMD-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000222930902 388646270 /nfs/dbraw/zinc/64/62/70/388646270.db2.gz PJWFNYYEIUENMD-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000222930966 388646216 /nfs/dbraw/zinc/64/62/16/388646216.db2.gz PJWFNYYEIUENMD-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CC1(C2CC2)CC1 ZINC000222936084 259562553 /nfs/dbraw/zinc/56/25/53/259562553.db2.gz CIHRGERGDAAVDZ-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000222952345 345748063 /nfs/dbraw/zinc/74/80/63/345748063.db2.gz PWLQUEOPKUBKCQ-AWEZNQCLSA-N 1 0 237.346 3.806 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000222952408 345748103 /nfs/dbraw/zinc/74/81/03/345748103.db2.gz PWLQUEOPKUBKCQ-CQSZACIVSA-N 1 0 237.346 3.806 20 0 BHADRO Cc1ccccc1C[NH+](C)Cc1ccccc1C ZINC000222985662 353094475 /nfs/dbraw/zinc/09/44/75/353094475.db2.gz JMEOCGWFJCYENR-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO Cc1ccc(C)c(OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000223005303 640525268 /nfs/dbraw/zinc/52/52/68/640525268.db2.gz NETCCYGDPYBOLV-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C)c(OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000223005347 640526132 /nfs/dbraw/zinc/52/61/32/640526132.db2.gz NETCCYGDPYBOLV-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cc(C)cc(OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000223005846 640525485 /nfs/dbraw/zinc/52/54/85/640525485.db2.gz RAKPVKDMBGQXJW-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cc(C)cc(OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000223005913 640524997 /nfs/dbraw/zinc/52/49/97/640524997.db2.gz RAKPVKDMBGQXJW-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO CCc1cccc(OCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000223007213 640525086 /nfs/dbraw/zinc/52/50/86/640525086.db2.gz WPCHMLFQTXDOPD-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CCc1cccc(OCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000223007270 640525158 /nfs/dbraw/zinc/52/51/58/640525158.db2.gz WPCHMLFQTXDOPD-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO Cc1cccc(OCC[C@@H]2CCCC[N@H+]2C)c1C ZINC000223009494 640525034 /nfs/dbraw/zinc/52/50/34/640525034.db2.gz LSSLXOOUALOUPR-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc(OCC[C@H]2CCCC[N@H+]2C)c1C ZINC000223009557 640525803 /nfs/dbraw/zinc/52/58/03/640525803.db2.gz LSSLXOOUALOUPR-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(OCC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000223013350 640525594 /nfs/dbraw/zinc/52/55/94/640525594.db2.gz FMTHZLRIDAWIAN-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(OCC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000223013417 640525883 /nfs/dbraw/zinc/52/58/83/640525883.db2.gz FMTHZLRIDAWIAN-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000223035754 358214085 /nfs/dbraw/zinc/21/40/85/358214085.db2.gz IKJXJMGIONJHTI-HIFRSBDPSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000223035818 357401838 /nfs/dbraw/zinc/40/18/38/357401838.db2.gz IKJXJMGIONJHTI-UKRRQHHQSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000223035888 358213857 /nfs/dbraw/zinc/21/38/57/358213857.db2.gz IKJXJMGIONJHTI-ZFWWWQNUSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCSC1 ZINC000223035952 358213884 /nfs/dbraw/zinc/21/38/84/358213884.db2.gz IKJXJMGIONJHTI-DZGCQCFKSA-N 1 0 247.407 3.549 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(O)cc1 ZINC000223045313 537875226 /nfs/dbraw/zinc/87/52/26/537875226.db2.gz SPBMUQDVUTUQLY-CQSZACIVSA-N 1 0 235.371 3.841 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccc(O)cc1 ZINC000223045364 491134971 /nfs/dbraw/zinc/13/49/71/491134971.db2.gz SPBMUQDVUTUQLY-AWEZNQCLSA-N 1 0 235.371 3.841 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000223046889 259563300 /nfs/dbraw/zinc/56/33/00/259563300.db2.gz ALHXLSHHLZHIMW-LOWVWBTDSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000223046944 388647645 /nfs/dbraw/zinc/64/76/45/388647645.db2.gz ALHXLSHHLZHIMW-DMDPSCGWSA-N 1 0 237.774 3.517 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000223089021 259562947 /nfs/dbraw/zinc/56/29/47/259562947.db2.gz ONQUTMISCPMHFO-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000223089079 388648104 /nfs/dbraw/zinc/64/81/04/388648104.db2.gz ONQUTMISCPMHFO-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000223089137 388648800 /nfs/dbraw/zinc/64/88/00/388648800.db2.gz ONQUTMISCPMHFO-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000223089182 388648423 /nfs/dbraw/zinc/64/84/23/388648423.db2.gz ONQUTMISCPMHFO-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000223111000 388648412 /nfs/dbraw/zinc/64/84/12/388648412.db2.gz YEXQYUXOKPQWRU-FVQBIDKESA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000223111125 343958906 /nfs/dbraw/zinc/95/89/06/343958906.db2.gz YEXQYUXOKPQWRU-BMFZPTHFSA-N 1 0 231.383 3.786 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cc(O)cc(F)c1 ZINC000223133984 259332210 /nfs/dbraw/zinc/33/22/10/259332210.db2.gz JIAMZDYEOKVJNP-UHFFFAOYSA-N 1 0 239.334 3.590 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC=CCC1 ZINC000223170405 259333490 /nfs/dbraw/zinc/33/34/90/259333490.db2.gz OACNZPPWHBULTA-SWLSCSKDSA-N 1 0 249.785 3.969 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC=CCC1 ZINC000223170440 259333358 /nfs/dbraw/zinc/33/33/58/259333358.db2.gz OACNZPPWHBULTA-IUODEOHRSA-N 1 0 249.785 3.969 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC=CCC1 ZINC000223170494 259333414 /nfs/dbraw/zinc/33/34/14/259333414.db2.gz OACNZPPWHBULTA-WFASDCNBSA-N 1 0 249.785 3.969 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC=CCC1 ZINC000223170550 398099456 /nfs/dbraw/zinc/09/94/56/398099456.db2.gz OACNZPPWHBULTA-DOMZBBRYSA-N 1 0 249.785 3.969 20 0 BHADRO CC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000223177192 398099578 /nfs/dbraw/zinc/09/95/78/398099578.db2.gz WCSPMQCGXLAKHK-CQSZACIVSA-N 1 0 233.330 3.667 20 0 BHADRO CC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000223177255 398099429 /nfs/dbraw/zinc/09/94/29/398099429.db2.gz WCSPMQCGXLAKHK-AWEZNQCLSA-N 1 0 233.330 3.667 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000223177328 398099448 /nfs/dbraw/zinc/09/94/48/398099448.db2.gz XZIKZYIGPJVPES-OAHLLOKOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000223177391 398099482 /nfs/dbraw/zinc/09/94/82/398099482.db2.gz XZIKZYIGPJVPES-HNNXBMFYSA-N 1 0 229.367 3.836 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000223178282 324195167 /nfs/dbraw/zinc/19/51/67/324195167.db2.gz PYHNBWRFSDGNFR-CQSZACIVSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000223178336 324195073 /nfs/dbraw/zinc/19/50/73/324195073.db2.gz PYHNBWRFSDGNFR-AWEZNQCLSA-N 1 0 217.356 3.773 20 0 BHADRO CC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000223178427 134336936 /nfs/dbraw/zinc/33/69/36/134336936.db2.gz QJQAHQMKXUDLOG-AWEZNQCLSA-N 1 0 215.340 3.527 20 0 BHADRO CC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000223178487 134337299 /nfs/dbraw/zinc/33/72/99/134337299.db2.gz QJQAHQMKXUDLOG-CQSZACIVSA-N 1 0 215.340 3.527 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C)CC1 ZINC000223178711 324195235 /nfs/dbraw/zinc/19/52/35/324195235.db2.gz UHMOPDPMCZTPQA-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C)CC1 ZINC000223178754 324195214 /nfs/dbraw/zinc/19/52/14/324195214.db2.gz UHMOPDPMCZTPQA-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO CCC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000223179678 259333445 /nfs/dbraw/zinc/33/34/45/259333445.db2.gz LJDDADJPBDECPV-HNNXBMFYSA-N 1 0 229.367 3.918 20 0 BHADRO CCC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000223179737 324194886 /nfs/dbraw/zinc/19/48/86/324194886.db2.gz LJDDADJPBDECPV-OAHLLOKOSA-N 1 0 229.367 3.918 20 0 BHADRO CC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCC1 ZINC000223180575 259333258 /nfs/dbraw/zinc/33/32/58/259333258.db2.gz DZWRVDRFGAKXAD-HNNXBMFYSA-N 1 0 229.367 3.918 20 0 BHADRO CC1(C[NH2+][C@H](c2ccccc2)C2CC2)CCC1 ZINC000223180636 259333171 /nfs/dbraw/zinc/33/31/71/259333171.db2.gz DZWRVDRFGAKXAD-OAHLLOKOSA-N 1 0 229.367 3.918 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000223189372 535689911 /nfs/dbraw/zinc/68/99/11/535689911.db2.gz YAXBGKPNUVKFJM-DVOMOZLQSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000223189494 134337365 /nfs/dbraw/zinc/33/73/65/134337365.db2.gz YAXBGKPNUVKFJM-WWGRRREGSA-N 1 0 247.382 3.640 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2(C3CC3)CC2)C2CC2)cc1 ZINC000223193615 324195210 /nfs/dbraw/zinc/19/52/10/324195210.db2.gz FNMVIVUONMWBFY-MRXNPFEDSA-N 1 0 241.378 3.918 20 0 BHADRO c1ccc([C@H]([NH2+]CC2(C3CC3)CC2)C2CC2)cc1 ZINC000223193667 324195083 /nfs/dbraw/zinc/19/50/83/324195083.db2.gz FNMVIVUONMWBFY-INIZCTEOSA-N 1 0 241.378 3.918 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000223257123 635364239 /nfs/dbraw/zinc/36/42/39/635364239.db2.gz FGTQOPTVVNFWHS-LBPRGKRZSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000223257174 583180095 /nfs/dbraw/zinc/18/00/95/583180095.db2.gz FGTQOPTVVNFWHS-GFCCVEGCSA-N 1 0 217.356 3.527 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000223260553 592525312 /nfs/dbraw/zinc/52/53/12/592525312.db2.gz PIYGWXLUKCHZEQ-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000223260605 592525753 /nfs/dbraw/zinc/52/57/53/592525753.db2.gz PIYGWXLUKCHZEQ-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCc1ccccc1 ZINC000223352998 345749209 /nfs/dbraw/zinc/74/92/09/345749209.db2.gz YDTLGMICWHLKJV-GASCZTMLSA-N 1 0 231.383 3.882 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCCc1ccccc1 ZINC000223353046 355760398 /nfs/dbraw/zinc/76/03/98/355760398.db2.gz YDTLGMICWHLKJV-GJZGRUSLSA-N 1 0 231.383 3.882 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCc1ccccc1 ZINC000223353105 355760622 /nfs/dbraw/zinc/76/06/22/355760622.db2.gz YDTLGMICWHLKJV-HUUCEWRRSA-N 1 0 231.383 3.882 20 0 BHADRO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000223424849 134339692 /nfs/dbraw/zinc/33/96/92/134339692.db2.gz WENAKIOPKXXFCN-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000223424907 134339460 /nfs/dbraw/zinc/33/94/60/134339460.db2.gz WENAKIOPKXXFCN-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC000223424959 134339689 /nfs/dbraw/zinc/33/96/89/134339689.db2.gz WENAKIOPKXXFCN-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC000223425021 134339439 /nfs/dbraw/zinc/33/94/39/134339439.db2.gz WENAKIOPKXXFCN-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000223450540 388651510 /nfs/dbraw/zinc/65/15/10/388651510.db2.gz QFJIUQNOBUBLHA-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@](C)(O)CCC)c1ccccc1 ZINC000223487692 134340229 /nfs/dbraw/zinc/34/02/29/134340229.db2.gz CBIVWPIVEQGDQY-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H]([NH2+]C[C@@](C)(O)CCC)c1ccccc1 ZINC000223487743 134340222 /nfs/dbraw/zinc/34/02/22/134340222.db2.gz CBIVWPIVEQGDQY-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+]C[C@](C)(O)CCC)c1ccccc1 ZINC000223487802 134339844 /nfs/dbraw/zinc/33/98/44/134339844.db2.gz CBIVWPIVEQGDQY-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H]([NH2+]C[C@](C)(O)CCC)c1ccccc1 ZINC000223487860 134339893 /nfs/dbraw/zinc/33/98/93/134339893.db2.gz CBIVWPIVEQGDQY-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000223489003 259336959 /nfs/dbraw/zinc/33/69/59/259336959.db2.gz NBUSLCANGQJTKK-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000223489065 490151540 /nfs/dbraw/zinc/15/15/40/490151540.db2.gz NBUSLCANGQJTKK-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000223489125 487603651 /nfs/dbraw/zinc/60/36/51/487603651.db2.gz NBUSLCANGQJTKK-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000223489179 487603612 /nfs/dbraw/zinc/60/36/12/487603612.db2.gz NBUSLCANGQJTKK-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000223491808 134339875 /nfs/dbraw/zinc/33/98/75/134339875.db2.gz MIVTYFQFGUOURI-JKSUJKDBSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000223491860 134339917 /nfs/dbraw/zinc/33/99/17/134339917.db2.gz MIVTYFQFGUOURI-HOTGVXAUSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000223491916 134339905 /nfs/dbraw/zinc/33/99/05/134339905.db2.gz MIVTYFQFGUOURI-HZPDHXFCSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000223491983 134339979 /nfs/dbraw/zinc/33/99/79/134339979.db2.gz MIVTYFQFGUOURI-CVEARBPZSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000223496073 388653886 /nfs/dbraw/zinc/65/38/86/388653886.db2.gz DKOSMXBKWGWWSF-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000223496131 388654158 /nfs/dbraw/zinc/65/41/58/388654158.db2.gz DKOSMXBKWGWWSF-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000223496176 388654485 /nfs/dbraw/zinc/65/44/85/388654485.db2.gz DKOSMXBKWGWWSF-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000223496229 388653995 /nfs/dbraw/zinc/65/39/95/388653995.db2.gz DKOSMXBKWGWWSF-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000223501188 388654495 /nfs/dbraw/zinc/65/44/95/388654495.db2.gz JDHLATYDOYYMDI-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000223501241 324195528 /nfs/dbraw/zinc/19/55/28/324195528.db2.gz JDHLATYDOYYMDI-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000223501295 324195537 /nfs/dbraw/zinc/19/55/37/324195537.db2.gz JDHLATYDOYYMDI-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000223501355 324195540 /nfs/dbraw/zinc/19/55/40/324195540.db2.gz JDHLATYDOYYMDI-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000223513040 388654133 /nfs/dbraw/zinc/65/41/33/388654133.db2.gz XXSXGDCYAYPQNI-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000223513072 259566576 /nfs/dbraw/zinc/56/65/76/259566576.db2.gz XXSXGDCYAYPQNI-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000223513105 388654518 /nfs/dbraw/zinc/65/45/18/388654518.db2.gz XXSXGDCYAYPQNI-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000223513141 388654486 /nfs/dbraw/zinc/65/44/86/388654486.db2.gz XXSXGDCYAYPQNI-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CCC1 ZINC000223549869 384583333 /nfs/dbraw/zinc/58/33/33/384583333.db2.gz LINRZAWURLWWDE-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CCC1 ZINC000223549921 490152259 /nfs/dbraw/zinc/15/22/59/490152259.db2.gz LINRZAWURLWWDE-UHXUPSOCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cncs1 ZINC000223550093 491084069 /nfs/dbraw/zinc/08/40/69/491084069.db2.gz PZEJLCNLTAGOHE-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cncs1 ZINC000223550152 490152270 /nfs/dbraw/zinc/15/22/70/490152270.db2.gz PZEJLCNLTAGOHE-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000223551485 490152219 /nfs/dbraw/zinc/15/22/19/490152219.db2.gz KZOGPCDNFOBUIL-RCWTZXSCSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000223551544 490152334 /nfs/dbraw/zinc/15/23/34/490152334.db2.gz KZOGPCDNFOBUIL-YTWAJWBKSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1CC)c1ccccc1 ZINC000223595343 134340608 /nfs/dbraw/zinc/34/06/08/134340608.db2.gz CBXQETZCZULSJK-FPMFFAJLSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1CC)c1ccccc1 ZINC000223595452 134340612 /nfs/dbraw/zinc/34/06/12/134340612.db2.gz CBXQETZCZULSJK-UBHSHLNASA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000223619445 388655587 /nfs/dbraw/zinc/65/55/87/388655587.db2.gz UODXSWLGUSWLIC-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000223619537 259348780 /nfs/dbraw/zinc/34/87/80/259348780.db2.gz UODXSWLGUSWLIC-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1CC)c1ccc(F)cc1 ZINC000223622626 134340979 /nfs/dbraw/zinc/34/09/79/134340979.db2.gz IMPRAQGLWZWUMG-LEWSCRJBSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1CC)c1ccc(F)cc1 ZINC000223622720 134341183 /nfs/dbraw/zinc/34/11/83/134341183.db2.gz IMPRAQGLWZWUMG-BPNCWPANSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000223624819 388655646 /nfs/dbraw/zinc/65/56/46/388655646.db2.gz JOGPXVUYDVZOOF-ZDUSSCGKSA-N 1 0 203.329 3.612 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000223624884 388655801 /nfs/dbraw/zinc/65/58/01/388655801.db2.gz JOGPXVUYDVZOOF-CYBMUJFWSA-N 1 0 203.329 3.612 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC000223627129 535803150 /nfs/dbraw/zinc/80/31/50/535803150.db2.gz HLMIWTOEDJXFNO-CQSZACIVSA-N 1 0 203.329 3.694 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC000223627192 134341074 /nfs/dbraw/zinc/34/10/74/134341074.db2.gz HLMIWTOEDJXFNO-AWEZNQCLSA-N 1 0 203.329 3.694 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)C(C)(C)C ZINC000223631620 488172969 /nfs/dbraw/zinc/17/29/69/488172969.db2.gz NKSUSEPZGXGIPZ-QWRGUYRKSA-N 1 0 238.350 3.554 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)C(C)(C)C ZINC000223631661 488172809 /nfs/dbraw/zinc/17/28/09/488172809.db2.gz NKSUSEPZGXGIPZ-MNOVXSKESA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cncc(F)c1)C(C)(C)C ZINC000223631711 491137806 /nfs/dbraw/zinc/13/78/06/491137806.db2.gz NKSUSEPZGXGIPZ-WDEREUQCSA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cncc(F)c1 ZINC000223631764 491137777 /nfs/dbraw/zinc/13/77/77/491137777.db2.gz NKSUSEPZGXGIPZ-GHMZBOCLSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000223636563 259567857 /nfs/dbraw/zinc/56/78/57/259567857.db2.gz MCIDGSBNJDICBE-JTQLQIEISA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1c(F)cccc1F ZINC000223636613 388655632 /nfs/dbraw/zinc/65/56/32/388655632.db2.gz MCIDGSBNJDICBE-SNVBAGLBSA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000223643656 259337799 /nfs/dbraw/zinc/33/77/99/259337799.db2.gz RHKAYIRXXPUWJZ-AWEZNQCLSA-N 1 0 217.356 3.920 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000223643709 388655398 /nfs/dbraw/zinc/65/53/98/388655398.db2.gz RHKAYIRXXPUWJZ-CQSZACIVSA-N 1 0 217.356 3.920 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC=C(C)C ZINC000223645003 259337740 /nfs/dbraw/zinc/33/77/40/259337740.db2.gz DHLGJSVADKXYSX-CYBMUJFWSA-N 1 0 233.355 3.702 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC=C(C)C ZINC000223645063 259567547 /nfs/dbraw/zinc/56/75/47/259567547.db2.gz DHLGJSVADKXYSX-ZDUSSCGKSA-N 1 0 233.355 3.702 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000223650174 388655575 /nfs/dbraw/zinc/65/55/75/388655575.db2.gz PEQSVEZAUBOJOG-AWEZNQCLSA-N 1 0 217.356 3.920 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000223650225 388655540 /nfs/dbraw/zinc/65/55/40/388655540.db2.gz PEQSVEZAUBOJOG-CQSZACIVSA-N 1 0 217.356 3.920 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000223651900 388655660 /nfs/dbraw/zinc/65/56/60/388655660.db2.gz ZCGPUMFYTSVHMU-FVQBIDKESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](CO)c1ccccc1 ZINC000223651959 388655990 /nfs/dbraw/zinc/65/59/90/388655990.db2.gz ZCGPUMFYTSVHMU-NUEKZKHPSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000223652006 259567744 /nfs/dbraw/zinc/56/77/44/259567744.db2.gz ZCGPUMFYTSVHMU-VNQPRFMTSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000223652082 388655737 /nfs/dbraw/zinc/65/57/37/388655737.db2.gz ZCGPUMFYTSVHMU-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000223704703 388657364 /nfs/dbraw/zinc/65/73/64/388657364.db2.gz ITCAYXUHXMHKPX-WUHRBBMRSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000223710825 350284656 /nfs/dbraw/zinc/28/46/56/350284656.db2.gz QOTKZLYMJQEUQT-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000223710883 357026141 /nfs/dbraw/zinc/02/61/41/357026141.db2.gz QOTKZLYMJQEUQT-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000223711428 259337812 /nfs/dbraw/zinc/33/78/12/259337812.db2.gz PVLQKKBMRMSCQQ-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000223711476 388656698 /nfs/dbraw/zinc/65/66/98/388656698.db2.gz PVLQKKBMRMSCQQ-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000223715195 259338361 /nfs/dbraw/zinc/33/83/61/259338361.db2.gz OBCQAGAVJFHWBA-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000223715241 259338430 /nfs/dbraw/zinc/33/84/30/259338430.db2.gz OBCQAGAVJFHWBA-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)C(C)C ZINC000223717760 259568740 /nfs/dbraw/zinc/56/87/40/259568740.db2.gz NRBIECYPLQMWGT-UPJWGTAASA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)C(C)C ZINC000223717862 388657141 /nfs/dbraw/zinc/65/71/41/388657141.db2.gz NRBIECYPLQMWGT-XQQFMLRXSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000223717915 134339330 /nfs/dbraw/zinc/33/93/30/134339330.db2.gz VTVCXESDFYOARA-QJPTWQEYSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000223717958 134339129 /nfs/dbraw/zinc/33/91/29/134339129.db2.gz VTVCXESDFYOARA-SDDRHHMPSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000223718051 388656707 /nfs/dbraw/zinc/65/67/07/388656707.db2.gz BNUZLJAANAWIES-IGQOVBAYSA-N 1 0 241.444 3.829 20 0 BHADRO COC[C@@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000223719384 388656586 /nfs/dbraw/zinc/65/65/86/388656586.db2.gz UFAFABHDDMCBQN-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO COC[C@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000223719464 388657406 /nfs/dbraw/zinc/65/74/06/388657406.db2.gz UFAFABHDDMCBQN-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000223721871 388656507 /nfs/dbraw/zinc/65/65/07/388656507.db2.gz PAAQWZUCWXSHCE-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000223721938 259568425 /nfs/dbraw/zinc/56/84/25/259568425.db2.gz PAAQWZUCWXSHCE-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CCCCCC[NH2+][C@@H](COC)c1ccccc1 ZINC000223723290 635375349 /nfs/dbraw/zinc/37/53/49/635375349.db2.gz BPFXFHDXVPGKKP-HNNXBMFYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCCCC[NH2+][C@H](COC)c1ccccc1 ZINC000223723352 635375638 /nfs/dbraw/zinc/37/56/38/635375638.db2.gz BPFXFHDXVPGKKP-OAHLLOKOSA-N 1 0 235.371 3.544 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000223726670 388657281 /nfs/dbraw/zinc/65/72/81/388657281.db2.gz SXACCMZGEUWJHA-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000223726725 388656829 /nfs/dbraw/zinc/65/68/29/388656829.db2.gz SXACCMZGEUWJHA-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000223727215 324075579 /nfs/dbraw/zinc/07/55/79/324075579.db2.gz AKFYNTKDXDXFTQ-MCIONIFRSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000223727274 324075225 /nfs/dbraw/zinc/07/52/25/324075225.db2.gz AKFYNTKDXDXFTQ-MJBXVCDLSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000223729514 324075562 /nfs/dbraw/zinc/07/55/62/324075562.db2.gz NKOKADFSPDDPCK-CYZMBNFOSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000223729582 324075126 /nfs/dbraw/zinc/07/51/26/324075126.db2.gz NKOKADFSPDDPCK-WCFLWFBJSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000223729645 388656717 /nfs/dbraw/zinc/65/67/17/388656717.db2.gz XYBJPBAQZWQPFN-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000223729701 388657903 /nfs/dbraw/zinc/65/79/03/388657903.db2.gz XYBJPBAQZWQPFN-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000223730208 324075251 /nfs/dbraw/zinc/07/52/51/324075251.db2.gz DKZDECZFPBYDHO-SYQHCUMBSA-N 1 0 241.444 3.829 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CCCC(C)C ZINC000223739856 259338601 /nfs/dbraw/zinc/33/86/01/259338601.db2.gz GHAARCLQXBIPLH-ZDUSSCGKSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCC[NH2+][C@H](C)CCCC(C)C ZINC000223739907 388658047 /nfs/dbraw/zinc/65/80/47/388658047.db2.gz GHAARCLQXBIPLH-CYBMUJFWSA-N 1 0 231.449 3.934 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000223747116 583181166 /nfs/dbraw/zinc/18/11/66/583181166.db2.gz YHVHVCGMYIJQFJ-IACUBPJLSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000223747211 592541844 /nfs/dbraw/zinc/54/18/44/592541844.db2.gz YHVHVCGMYIJQFJ-YUTCNCBUSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCCCCO)c1 ZINC000223751475 583181183 /nfs/dbraw/zinc/18/11/83/583181183.db2.gz SHAYFSQCSLWORP-OAHLLOKOSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCCCCCO)c1 ZINC000223751527 583181118 /nfs/dbraw/zinc/18/11/18/583181118.db2.gz SHAYFSQCSLWORP-HNNXBMFYSA-N 1 0 249.398 3.507 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000223768071 134339682 /nfs/dbraw/zinc/33/96/82/134339682.db2.gz CRYNTSZQIQPSKJ-XJKCOSOUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000223768179 536122804 /nfs/dbraw/zinc/12/28/04/536122804.db2.gz CRYNTSZQIQPSKJ-IOASZLSFSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000223769536 583181069 /nfs/dbraw/zinc/18/10/69/583181069.db2.gz UHOXREHYFMTCOU-LLVKDONJSA-N 1 0 239.334 3.590 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000223769591 583180988 /nfs/dbraw/zinc/18/09/88/583180988.db2.gz UHOXREHYFMTCOU-NSHDSACASA-N 1 0 239.334 3.590 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000223825192 388658175 /nfs/dbraw/zinc/65/81/75/388658175.db2.gz XTQGLICJBFHUGW-JHJVBQTASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000223825247 259569542 /nfs/dbraw/zinc/56/95/42/259569542.db2.gz XTQGLICJBFHUGW-UPJWGTAASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000223827678 388658991 /nfs/dbraw/zinc/65/89/91/388658991.db2.gz DRPFTFJIOBCDAG-MGPQQGTHSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000223827782 388659017 /nfs/dbraw/zinc/65/90/17/388659017.db2.gz DRPFTFJIOBCDAG-MCIONIFRSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](CSC)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000223828957 388658849 /nfs/dbraw/zinc/65/88/49/388658849.db2.gz OJTAHMWRQJHYCS-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000223893645 388658947 /nfs/dbraw/zinc/65/89/47/388658947.db2.gz SZEZVFIRCTXXNP-LBPRGKRZSA-N 1 0 221.319 3.751 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000223893696 388659317 /nfs/dbraw/zinc/65/93/17/388659317.db2.gz SZEZVFIRCTXXNP-GFCCVEGCSA-N 1 0 221.319 3.751 20 0 BHADRO CCC(C)(C)C1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC000223897464 388659450 /nfs/dbraw/zinc/65/94/50/388659450.db2.gz HTRXCKNCVINQCZ-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)C1CCC([NH2+]C[C@H](C)OC)CC1 ZINC000223897509 388659218 /nfs/dbraw/zinc/65/92/18/388659218.db2.gz HTRXCKNCVINQCZ-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000223964106 534933401 /nfs/dbraw/zinc/93/34/01/534933401.db2.gz SPSAKVDTHLMZFS-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000223964159 350300256 /nfs/dbraw/zinc/30/02/56/350300256.db2.gz SPSAKVDTHLMZFS-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000223964215 534934008 /nfs/dbraw/zinc/93/40/08/534934008.db2.gz SPSAKVDTHLMZFS-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000223964275 134343606 /nfs/dbraw/zinc/34/36/06/134343606.db2.gz SPSAKVDTHLMZFS-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000223992192 357179007 /nfs/dbraw/zinc/17/90/07/357179007.db2.gz VGLIQSBCNTUGLQ-CYZMBNFOSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1cncs1 ZINC000224000442 134343860 /nfs/dbraw/zinc/34/38/60/134343860.db2.gz VMASKAAOETVVAK-GMTAPVOTSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000224001202 259344254 /nfs/dbraw/zinc/34/42/54/259344254.db2.gz BWRROIAPEIJZQX-BBBLOLIVSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000224001262 259344487 /nfs/dbraw/zinc/34/44/87/259344487.db2.gz BWRROIAPEIJZQX-OPRDCNLKSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224099979 171287044 /nfs/dbraw/zinc/28/70/44/171287044.db2.gz MURGBHCWFYVBFY-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224100081 171288351 /nfs/dbraw/zinc/28/83/51/171288351.db2.gz MURGBHCWFYVBFY-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](COC)C(C)C ZINC000224105132 388661329 /nfs/dbraw/zinc/66/13/29/388661329.db2.gz AHMLATNPUIXWSN-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](COC)C(C)C ZINC000224105179 388661280 /nfs/dbraw/zinc/66/12/80/388661280.db2.gz AHMLATNPUIXWSN-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](COC)C(C)C ZINC000224105239 388661168 /nfs/dbraw/zinc/66/11/68/388661168.db2.gz AHMLATNPUIXWSN-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](COC)C(C)C ZINC000224105289 388661171 /nfs/dbraw/zinc/66/11/71/388661171.db2.gz AHMLATNPUIXWSN-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(C)CC1 ZINC000224105467 388661346 /nfs/dbraw/zinc/66/13/46/388661346.db2.gz MUPREPWMUIXJLT-HBNTYKKESA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1(C)CC1 ZINC000224105579 388661398 /nfs/dbraw/zinc/66/13/98/388661398.db2.gz MUPREPWMUIXJLT-AXFHLTTASA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224106643 259345235 /nfs/dbraw/zinc/34/52/35/259345235.db2.gz YVAQSSSDCONABV-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224106754 388661213 /nfs/dbraw/zinc/66/12/13/388661213.db2.gz YVAQSSSDCONABV-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CCC1([NH2+]Cc2cccc3cc[nH]c32)CCC1 ZINC000224164872 386128098 /nfs/dbraw/zinc/12/80/98/386128098.db2.gz PEDSOYVOAMWPGF-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCC1([NH2+]Cc2ccc3ncccc3c2)CCC1 ZINC000224165283 386127431 /nfs/dbraw/zinc/12/74/31/386127431.db2.gz LRULQQQEQLFOMK-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000224168560 384192945 /nfs/dbraw/zinc/19/29/45/384192945.db2.gz ZXCDQNQSPGCTSP-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC1(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000224170318 384194999 /nfs/dbraw/zinc/19/49/99/384194999.db2.gz SLOFLGGBYLTVOJ-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO CC1(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000224170696 388661461 /nfs/dbraw/zinc/66/14/61/388661461.db2.gz XAHNXLIHOAOEIV-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC1(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000224172313 535153104 /nfs/dbraw/zinc/15/31/04/535153104.db2.gz ROSLDCJKJLOSII-UHFFFAOYSA-N 1 0 225.335 3.730 20 0 BHADRO CC1(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000224172478 388661252 /nfs/dbraw/zinc/66/12/52/388661252.db2.gz PRSBDAVFTSUOMH-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[C@@H](C)C1 ZINC000224172695 322969391 /nfs/dbraw/zinc/96/93/91/322969391.db2.gz NRPBXBNUFYMDRK-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[C@@H](C)C1 ZINC000224172746 384198503 /nfs/dbraw/zinc/19/85/03/384198503.db2.gz NRPBXBNUFYMDRK-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C1CCC([NH2+]CC2(C)CC2)CC1 ZINC000224174461 384204279 /nfs/dbraw/zinc/20/42/79/384204279.db2.gz RWIAQJRYHVGDSQ-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000224178093 535153483 /nfs/dbraw/zinc/15/34/83/535153483.db2.gz XRLDURVFCPECLJ-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2(C)CC2)c(C)c1 ZINC000224178399 388662045 /nfs/dbraw/zinc/66/20/45/388662045.db2.gz KFMNQIKIGXNHEA-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000224179615 388661734 /nfs/dbraw/zinc/66/17/34/388661734.db2.gz ZZHVSDBJDBECIP-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224180569 259572362 /nfs/dbraw/zinc/57/23/62/259572362.db2.gz JHPVIYHVEWNDJZ-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CC1(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000224181909 535154658 /nfs/dbraw/zinc/15/46/58/535154658.db2.gz AHYPRRBPWUDMKG-UHFFFAOYSA-N 1 0 231.364 3.791 20 0 BHADRO Cc1cc(C)c(C[NH2+]CC2(C)CC2)cc1C ZINC000224184085 388662033 /nfs/dbraw/zinc/66/20/33/388662033.db2.gz SQCISKCNOLLTNF-UHFFFAOYSA-N 1 0 217.356 3.502 20 0 BHADRO CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000224187859 535153382 /nfs/dbraw/zinc/15/33/82/535153382.db2.gz XQZBFXPNUFPKDM-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO CC(C)c1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000224187941 388662416 /nfs/dbraw/zinc/66/24/16/388662416.db2.gz PZALZNOLZHXAMB-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO CC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000224188014 535152845 /nfs/dbraw/zinc/15/28/45/535152845.db2.gz SCIOLVZXNVKRRY-UHFFFAOYSA-N 1 0 243.272 3.595 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000224266815 640608820 /nfs/dbraw/zinc/60/88/20/640608820.db2.gz HWQYTIMXSFCMKG-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000224266918 640608810 /nfs/dbraw/zinc/60/88/10/640608810.db2.gz HWQYTIMXSFCMKG-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000224274510 640608890 /nfs/dbraw/zinc/60/88/90/640608890.db2.gz CQKFPDDSWBMZNR-BFHYXJOUSA-N 1 0 241.444 3.995 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000224274565 640607260 /nfs/dbraw/zinc/60/72/60/640607260.db2.gz CQKFPDDSWBMZNR-MELADBBJSA-N 1 0 241.444 3.995 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000224284190 640605209 /nfs/dbraw/zinc/60/52/09/640605209.db2.gz JPUZUUBYWQBRJN-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000224284246 640605891 /nfs/dbraw/zinc/60/58/91/640605891.db2.gz JPUZUUBYWQBRJN-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](SC)C2)C1 ZINC000224289489 640607575 /nfs/dbraw/zinc/60/75/75/640607575.db2.gz YIGFOSDUEMNOMG-XJFOESAGSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000224292444 641702504 /nfs/dbraw/zinc/70/25/04/641702504.db2.gz DRCOJCVIDFTEEF-MVWJERBFSA-N 1 0 241.425 3.683 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000224292495 640608152 /nfs/dbraw/zinc/60/81/52/640608152.db2.gz DRCOJCVIDFTEEF-ZMLRMANQSA-N 1 0 241.425 3.683 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000224293305 640608388 /nfs/dbraw/zinc/60/83/88/640608388.db2.gz FZWSWQMZZNCSST-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000224293413 640609109 /nfs/dbraw/zinc/60/91/09/640609109.db2.gz FZWSWQMZZNCSST-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000224294756 640609911 /nfs/dbraw/zinc/60/99/11/640609911.db2.gz TXWSMUQCKZXGLC-NWANDNLSSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000224294805 640609872 /nfs/dbraw/zinc/60/98/72/640609872.db2.gz TXWSMUQCKZXGLC-AEGPPILISA-N 1 0 249.423 3.930 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C[C@@H]1CCSC1 ZINC000224295788 388663255 /nfs/dbraw/zinc/66/32/55/388663255.db2.gz ALGSVNAZDDIDAF-OLZOCXBDSA-N 1 0 229.433 3.546 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C[C@@H]1CCSC1 ZINC000224295845 388662930 /nfs/dbraw/zinc/66/29/30/388662930.db2.gz ALGSVNAZDDIDAF-STQMWFEESA-N 1 0 229.433 3.546 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C[C@H]1CCSC1 ZINC000224295878 388662772 /nfs/dbraw/zinc/66/27/72/388662772.db2.gz ALGSVNAZDDIDAF-CHWSQXEVSA-N 1 0 229.433 3.546 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C[C@H]1CCSC1 ZINC000224295928 259346694 /nfs/dbraw/zinc/34/66/94/259346694.db2.gz ALGSVNAZDDIDAF-QWHCGFSZSA-N 1 0 229.433 3.546 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224300873 259573768 /nfs/dbraw/zinc/57/37/68/259573768.db2.gz UWMUMODJSJEDAY-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224300921 388663488 /nfs/dbraw/zinc/66/34/88/388663488.db2.gz UWMUMODJSJEDAY-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224300954 259347235 /nfs/dbraw/zinc/34/72/35/259347235.db2.gz UWMUMODJSJEDAY-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224301009 259347230 /nfs/dbraw/zinc/34/72/30/259347230.db2.gz UWMUMODJSJEDAY-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000224306941 640610952 /nfs/dbraw/zinc/61/09/52/640610952.db2.gz HKRWDIUFJJWUGT-AWEZNQCLSA-N 1 0 243.460 3.936 20 0 BHADRO CC(C)CCCCCC[NH2+]C[C@H]1CCSC1 ZINC000224306990 640610897 /nfs/dbraw/zinc/61/08/97/640610897.db2.gz HKRWDIUFJJWUGT-CQSZACIVSA-N 1 0 243.460 3.936 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(CC)(CC)SC ZINC000224324489 640611736 /nfs/dbraw/zinc/61/17/36/640611736.db2.gz CWIXGDDAXZDKEZ-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CCC[C@H](C)[NH2+]CC(CC)(CC)SC ZINC000224324542 640611379 /nfs/dbraw/zinc/61/13/79/640611379.db2.gz CWIXGDDAXZDKEZ-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CCC(CC)[NH2+]CC(CC)(CC)SC ZINC000224327396 640613249 /nfs/dbraw/zinc/61/32/49/640613249.db2.gz NTLHLWFUSNBRBG-UHFFFAOYSA-N 1 0 217.422 3.686 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224330901 388663286 /nfs/dbraw/zinc/66/32/86/388663286.db2.gz CQBOIHGTPHMHQV-OCCSQVGLSA-N 1 0 249.423 3.653 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224330952 388662724 /nfs/dbraw/zinc/66/27/24/388662724.db2.gz CQBOIHGTPHMHQV-JSGCOSHPSA-N 1 0 249.423 3.653 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1 ZINC000224330974 259573979 /nfs/dbraw/zinc/57/39/79/259573979.db2.gz CQBOIHGTPHMHQV-TZMCWYRMSA-N 1 0 249.423 3.653 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1 ZINC000224331019 388662754 /nfs/dbraw/zinc/66/27/54/388662754.db2.gz CQBOIHGTPHMHQV-GXTWGEPZSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224332466 386135415 /nfs/dbraw/zinc/13/54/15/386135415.db2.gz CMHXYNNTIMCDSP-DZGCQCFKSA-N 1 0 249.423 3.726 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224332507 386134039 /nfs/dbraw/zinc/13/40/39/386134039.db2.gz CMHXYNNTIMCDSP-ZFWWWQNUSA-N 1 0 249.423 3.726 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224332545 386134975 /nfs/dbraw/zinc/13/49/75/386134975.db2.gz CMHXYNNTIMCDSP-UKRRQHHQSA-N 1 0 249.423 3.726 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224332588 386134944 /nfs/dbraw/zinc/13/49/44/386134944.db2.gz CMHXYNNTIMCDSP-HIFRSBDPSA-N 1 0 249.423 3.726 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C)cc1 ZINC000224346318 535804829 /nfs/dbraw/zinc/80/48/29/535804829.db2.gz USGVKIHEESCDBR-DZGCQCFKSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C)cc1 ZINC000224346365 134346547 /nfs/dbraw/zinc/34/65/47/134346547.db2.gz USGVKIHEESCDBR-ZFWWWQNUSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(C)cc1 ZINC000224346413 134346485 /nfs/dbraw/zinc/34/64/85/134346485.db2.gz USGVKIHEESCDBR-UKRRQHHQSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(C)cc1 ZINC000224346461 535914068 /nfs/dbraw/zinc/91/40/68/535914068.db2.gz USGVKIHEESCDBR-HIFRSBDPSA-N 1 0 249.423 3.789 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224350173 134346334 /nfs/dbraw/zinc/34/63/34/134346334.db2.gz PMDDAGKOWGHMIX-DZGCQCFKSA-N 1 0 249.423 3.871 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224350222 134346435 /nfs/dbraw/zinc/34/64/35/134346435.db2.gz PMDDAGKOWGHMIX-ZFWWWQNUSA-N 1 0 249.423 3.871 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224350262 134346275 /nfs/dbraw/zinc/34/62/75/134346275.db2.gz PMDDAGKOWGHMIX-UKRRQHHQSA-N 1 0 249.423 3.871 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224350302 134346474 /nfs/dbraw/zinc/34/64/74/134346474.db2.gz PMDDAGKOWGHMIX-HIFRSBDPSA-N 1 0 249.423 3.871 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000224360429 388663195 /nfs/dbraw/zinc/66/31/95/388663195.db2.gz RHBLZGKVKFGYPH-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000224360477 388663362 /nfs/dbraw/zinc/66/33/62/388663362.db2.gz RHBLZGKVKFGYPH-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000224361559 388662573 /nfs/dbraw/zinc/66/25/73/388662573.db2.gz RLNVLBCPAXPSQW-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000224361606 259349049 /nfs/dbraw/zinc/34/90/49/259349049.db2.gz RLNVLBCPAXPSQW-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000224361646 388663015 /nfs/dbraw/zinc/66/30/15/388663015.db2.gz RLNVLBCPAXPSQW-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000224361687 388662729 /nfs/dbraw/zinc/66/27/29/388662729.db2.gz RLNVLBCPAXPSQW-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224372307 640614768 /nfs/dbraw/zinc/61/47/68/640614768.db2.gz JLYWUTPFYVSOPY-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224372353 640614853 /nfs/dbraw/zinc/61/48/53/640614853.db2.gz JLYWUTPFYVSOPY-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224372386 640614826 /nfs/dbraw/zinc/61/48/26/640614826.db2.gz JLYWUTPFYVSOPY-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224372428 640614861 /nfs/dbraw/zinc/61/48/61/640614861.db2.gz JLYWUTPFYVSOPY-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000224376535 388663202 /nfs/dbraw/zinc/66/32/02/388663202.db2.gz VUHCWMIBMOPRAK-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000224376641 259574523 /nfs/dbraw/zinc/57/45/23/259574523.db2.gz VUHCWMIBMOPRAK-AGIUHOORSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c(C)c1 ZINC000224383679 384884730 /nfs/dbraw/zinc/88/47/30/384884730.db2.gz DMWLIDLEWJIEEB-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)c(C)c1 ZINC000224383724 384885466 /nfs/dbraw/zinc/88/54/66/384885466.db2.gz DMWLIDLEWJIEEB-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)c(C)c1 ZINC000224383760 384887937 /nfs/dbraw/zinc/88/79/37/384887937.db2.gz DMWLIDLEWJIEEB-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)c(C)c1 ZINC000224383806 384886456 /nfs/dbraw/zinc/88/64/56/384886456.db2.gz DMWLIDLEWJIEEB-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO CCC1CCC(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000224391520 388664139 /nfs/dbraw/zinc/66/41/39/388664139.db2.gz XDMXXURMDOQKRB-RUXDESIVSA-N 1 0 241.444 3.546 20 0 BHADRO CCC1CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000224391569 388664078 /nfs/dbraw/zinc/66/40/78/388664078.db2.gz XDMXXURMDOQKRB-JXQTWKCFSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(Cl)cc1 ZINC000224396198 388664443 /nfs/dbraw/zinc/66/44/43/388664443.db2.gz CAWMRPTXXMTPHH-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(Cl)cc1 ZINC000224396251 259574603 /nfs/dbraw/zinc/57/46/03/259574603.db2.gz CAWMRPTXXMTPHH-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1 ZINC000224396521 535803105 /nfs/dbraw/zinc/80/31/05/535803105.db2.gz NEVXOOJWFULZPQ-CYBMUJFWSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1 ZINC000224396568 134346546 /nfs/dbraw/zinc/34/65/46/134346546.db2.gz NEVXOOJWFULZPQ-ZDUSSCGKSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccccc1Cl ZINC000224399881 259349460 /nfs/dbraw/zinc/34/94/60/259349460.db2.gz XCVMVVINMHNISG-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(F)c(Cl)c1 ZINC000224399992 259574450 /nfs/dbraw/zinc/57/44/50/259574450.db2.gz HLEUFOUUSKWVJY-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(F)c(Cl)c1 ZINC000224400043 388664413 /nfs/dbraw/zinc/66/44/13/388664413.db2.gz HLEUFOUUSKWVJY-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cccc(Cl)c1 ZINC000224400227 388662893 /nfs/dbraw/zinc/66/28/93/388662893.db2.gz WHCDEOQVUYYZTM-SNVBAGLBSA-N 1 0 223.747 3.791 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cccc(Cl)c1 ZINC000224400281 388664328 /nfs/dbraw/zinc/66/43/28/388664328.db2.gz WHCDEOQVUYYZTM-JTQLQIEISA-N 1 0 223.747 3.791 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(C)CC2)c1 ZINC000224400590 259349216 /nfs/dbraw/zinc/34/92/16/259349216.db2.gz QMGBKLQCUPTREX-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000224400639 388664508 /nfs/dbraw/zinc/66/45/08/388664508.db2.gz QMGBKLQCUPTREX-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000224400696 535803010 /nfs/dbraw/zinc/80/30/10/535803010.db2.gz HFJVPLYTITUKOO-CYBMUJFWSA-N 1 0 203.329 3.527 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000224400736 134346707 /nfs/dbraw/zinc/34/67/07/134346707.db2.gz HFJVPLYTITUKOO-ZDUSSCGKSA-N 1 0 203.329 3.527 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccs1 ZINC000224402916 363190083 /nfs/dbraw/zinc/19/00/83/363190083.db2.gz YWGBKFLBAPXTKP-WDEREUQCSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccs1 ZINC000224402968 134346623 /nfs/dbraw/zinc/34/66/23/134346623.db2.gz YWGBKFLBAPXTKP-QWRGUYRKSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccs1 ZINC000224403002 134346722 /nfs/dbraw/zinc/34/67/22/134346722.db2.gz YWGBKFLBAPXTKP-GHMZBOCLSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccs1 ZINC000224403055 535914185 /nfs/dbraw/zinc/91/41/85/535914185.db2.gz YWGBKFLBAPXTKP-MNOVXSKESA-N 1 0 241.425 3.542 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224403490 388664380 /nfs/dbraw/zinc/66/43/80/388664380.db2.gz WUZQHHJBYVLLFA-MOKVOYLWSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224403553 388663924 /nfs/dbraw/zinc/66/39/24/388663924.db2.gz WUZQHHJBYVLLFA-ROKHWSDSSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224408204 388664208 /nfs/dbraw/zinc/66/42/08/388664208.db2.gz MJEMSOSUTAHJIB-AWEZNQCLSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000224408252 259349245 /nfs/dbraw/zinc/34/92/45/259349245.db2.gz MJEMSOSUTAHJIB-CQSZACIVSA-N 1 0 249.423 3.653 20 0 BHADRO Clc1ccc(/C=C\C[NH+]2CCCCC2)cc1 ZINC000224408950 345749492 /nfs/dbraw/zinc/74/94/92/345749492.db2.gz FJNWTYGQPASGQX-PLNGDYQASA-N 1 0 235.758 3.839 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000224415188 388664189 /nfs/dbraw/zinc/66/41/89/388664189.db2.gz HLCRBTJKXWNCFZ-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000224415232 386139122 /nfs/dbraw/zinc/13/91/22/386139122.db2.gz HLCRBTJKXWNCFZ-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000224415268 259349421 /nfs/dbraw/zinc/34/94/21/259349421.db2.gz HLCRBTJKXWNCFZ-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000224415309 388664248 /nfs/dbraw/zinc/66/42/48/388664248.db2.gz HLCRBTJKXWNCFZ-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000224416514 388663910 /nfs/dbraw/zinc/66/39/10/388663910.db2.gz HZVDFMXHOKRQNQ-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224419656 175675874 /nfs/dbraw/zinc/67/58/74/175675874.db2.gz SRRGQTUFPZMXDJ-KBPBESRZSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224419700 386138991 /nfs/dbraw/zinc/13/89/91/386138991.db2.gz SRRGQTUFPZMXDJ-KGLIPLIRSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H](CC[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224419728 386140413 /nfs/dbraw/zinc/14/04/13/386140413.db2.gz SRRGQTUFPZMXDJ-UONOGXRCSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](CC[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224419775 386139623 /nfs/dbraw/zinc/13/96/23/386139623.db2.gz SRRGQTUFPZMXDJ-ZIAGYGMSSA-N 1 0 249.423 3.523 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000224422891 388663733 /nfs/dbraw/zinc/66/37/33/388663733.db2.gz BCTMYRXNUYXLDF-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(NCC2(C)CC2)c2ccccc2[nH+]1 ZINC000224426359 134347357 /nfs/dbraw/zinc/34/73/57/134347357.db2.gz OKDLUCLDCQBSML-UHFFFAOYSA-N 1 0 226.323 3.755 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000224426480 388663948 /nfs/dbraw/zinc/66/39/48/388663948.db2.gz LIHMCIHAZDHKDL-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000224427639 388664053 /nfs/dbraw/zinc/66/40/53/388664053.db2.gz YFLOMFRIEKNWDI-RDBSUJKOSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000224427728 388664282 /nfs/dbraw/zinc/66/42/82/388664282.db2.gz YFLOMFRIEKNWDI-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000224429905 259349746 /nfs/dbraw/zinc/34/97/46/259349746.db2.gz FREOORZKNAZCDQ-MCIONIFRSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000224429954 388664357 /nfs/dbraw/zinc/66/43/57/388664357.db2.gz FREOORZKNAZCDQ-MJBXVCDLSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCSC1 ZINC000224431350 640618354 /nfs/dbraw/zinc/61/83/54/640618354.db2.gz KOXSNCUXDISFNF-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCSC1 ZINC000224431404 640617720 /nfs/dbraw/zinc/61/77/20/640617720.db2.gz KOXSNCUXDISFNF-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCSC1 ZINC000224431455 640617194 /nfs/dbraw/zinc/61/71/94/640617194.db2.gz KOXSNCUXDISFNF-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCSC1 ZINC000224431505 640618603 /nfs/dbraw/zinc/61/86/03/640618603.db2.gz KOXSNCUXDISFNF-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCSC1)C1CCCCCC1 ZINC000224449728 388665491 /nfs/dbraw/zinc/66/54/91/388665491.db2.gz LFAYAMYNOJSSSM-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCSC1)C1CCCCCC1 ZINC000224449783 259575411 /nfs/dbraw/zinc/57/54/11/259575411.db2.gz LFAYAMYNOJSSSM-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCCCCC1 ZINC000224449826 384978990 /nfs/dbraw/zinc/97/89/90/384978990.db2.gz LFAYAMYNOJSSSM-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCSC1)C1CCCCCC1 ZINC000224449874 388665444 /nfs/dbraw/zinc/66/54/44/388665444.db2.gz LFAYAMYNOJSSSM-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000224451772 388665441 /nfs/dbraw/zinc/66/54/41/388665441.db2.gz IDODLSYIBQOVJI-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000224451875 388665271 /nfs/dbraw/zinc/66/52/71/388665271.db2.gz IDODLSYIBQOVJI-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224453337 388665520 /nfs/dbraw/zinc/66/55/20/388665520.db2.gz NJRPHIJXTKDZMI-IHRRRGAJSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224453430 388664974 /nfs/dbraw/zinc/66/49/74/388664974.db2.gz NJRPHIJXTKDZMI-MELADBBJSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)s1 ZINC000224492049 388665333 /nfs/dbraw/zinc/66/53/33/388665333.db2.gz BXUMCCKEISRASF-ADEWGFFLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)s1 ZINC000224492143 388665060 /nfs/dbraw/zinc/66/50/60/388665060.db2.gz BXUMCCKEISRASF-USWWRNFRSA-N 1 0 238.400 3.681 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CC)C1CC1 ZINC000224494516 388664815 /nfs/dbraw/zinc/66/48/15/388664815.db2.gz WSLRFPBONNYWPM-MELADBBJSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)C1CC1 ZINC000224494562 259574953 /nfs/dbraw/zinc/57/49/53/259574953.db2.gz WSLRFPBONNYWPM-BFHYXJOUSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2OC)CCC1 ZINC000224506440 259349965 /nfs/dbraw/zinc/34/99/65/259349965.db2.gz XOAFRGXEBREXCU-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2OC)CCC1 ZINC000224506480 388665365 /nfs/dbraw/zinc/66/53/65/388665365.db2.gz XOAFRGXEBREXCU-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(OC)c2)CCC1 ZINC000224506547 388664713 /nfs/dbraw/zinc/66/47/13/388664713.db2.gz WUJRPLVWCWCSJL-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(OC)c2)CCC1 ZINC000224506597 388664925 /nfs/dbraw/zinc/66/49/25/388664925.db2.gz WUJRPLVWCWCSJL-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCc2ccco2)CCC1 ZINC000224506907 323043724 /nfs/dbraw/zinc/04/37/24/323043724.db2.gz NOTYAAGIKWABHN-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCc2ccco2)CCC1 ZINC000224506963 323043708 /nfs/dbraw/zinc/04/37/08/323043708.db2.gz NOTYAAGIKWABHN-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(OC)cc2)CCC1 ZINC000224508871 259575588 /nfs/dbraw/zinc/57/55/88/259575588.db2.gz AQRSIJOBQYMVMA-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(OC)cc2)CCC1 ZINC000224508917 388665189 /nfs/dbraw/zinc/66/51/89/388665189.db2.gz AQRSIJOBQYMVMA-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CCC1 ZINC000224509229 535296659 /nfs/dbraw/zinc/29/66/59/535296659.db2.gz RVPRIAZMWLNKJS-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CCC1 ZINC000224509276 134348480 /nfs/dbraw/zinc/34/84/80/134348480.db2.gz RVPRIAZMWLNKJS-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224510129 388664800 /nfs/dbraw/zinc/66/48/00/388664800.db2.gz KIVNCMVTPFQNOP-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224510221 388665114 /nfs/dbraw/zinc/66/51/14/388665114.db2.gz KIVNCMVTPFQNOP-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000224547932 640625513 /nfs/dbraw/zinc/62/55/13/640625513.db2.gz IBCAHRLRSZDVNK-UVMWJGKXSA-N 1 0 215.768 3.687 20 0 BHADRO CC[C@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000224547977 640625459 /nfs/dbraw/zinc/62/54/59/640625459.db2.gz IBCAHRLRSZDVNK-LZGFCCKTSA-N 1 0 215.768 3.687 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000224571003 640626029 /nfs/dbraw/zinc/62/60/29/640626029.db2.gz PXCFORWKNYLSDV-UMVBOHGHSA-N 1 0 219.372 3.654 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCCOC1CCCCC1 ZINC000224584388 388666946 /nfs/dbraw/zinc/66/69/46/388666946.db2.gz CXPOXONUBDZXST-CQSZACIVSA-N 1 0 241.419 3.894 20 0 BHADRO CCC[C@H](CC)[NH2+]CCCOC1CCCCC1 ZINC000224584439 383888132 /nfs/dbraw/zinc/88/81/32/383888132.db2.gz CXPOXONUBDZXST-AWEZNQCLSA-N 1 0 241.419 3.894 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccccc1COCC ZINC000224587359 383898151 /nfs/dbraw/zinc/89/81/51/383898151.db2.gz CKCDAKREEWPVJK-MRXNPFEDSA-N 1 0 249.398 3.891 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccccc1COCC ZINC000224587404 259576876 /nfs/dbraw/zinc/57/68/76/259576876.db2.gz CKCDAKREEWPVJK-INIZCTEOSA-N 1 0 249.398 3.891 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCOc1cccc(C)c1 ZINC000224608033 259576748 /nfs/dbraw/zinc/57/67/48/259576748.db2.gz SRWDSUGFUWSQGG-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](CC)[NH2+]CCOc1cccc(C)c1 ZINC000224608081 259576863 /nfs/dbraw/zinc/57/68/63/259576863.db2.gz SRWDSUGFUWSQGG-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1cc(F)cc(F)c1 ZINC000224617901 388667365 /nfs/dbraw/zinc/66/73/65/388667365.db2.gz LHFJBXROJOTJHH-CQSZACIVSA-N 1 0 241.325 3.676 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1cc(F)cc(F)c1 ZINC000224617949 259576751 /nfs/dbraw/zinc/57/67/51/259576751.db2.gz LHFJBXROJOTJHH-AWEZNQCLSA-N 1 0 241.325 3.676 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccccn1 ZINC000224650664 363192712 /nfs/dbraw/zinc/19/27/12/363192712.db2.gz NJIDMLQFRBKZSC-ZDUSSCGKSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000224660905 259350811 /nfs/dbraw/zinc/35/08/11/259350811.db2.gz LUPMLNGLMRDHAX-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000224660996 259577197 /nfs/dbraw/zinc/57/71/97/259577197.db2.gz LUPMLNGLMRDHAX-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO Cc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000224666985 350332754 /nfs/dbraw/zinc/33/27/54/350332754.db2.gz GGFACRNIKUMTBS-UHFFFAOYSA-N 1 0 223.319 3.511 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000224696269 640634011 /nfs/dbraw/zinc/63/40/11/640634011.db2.gz RDAFDEZNARTHDQ-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000224696313 640634007 /nfs/dbraw/zinc/63/40/07/640634007.db2.gz RDAFDEZNARTHDQ-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C1CC1)C1CC1 ZINC000224699800 324735791 /nfs/dbraw/zinc/73/57/91/324735791.db2.gz GZSCVHAXENKTDS-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C1CC1)C1CC1 ZINC000224699851 324735731 /nfs/dbraw/zinc/73/57/31/324735731.db2.gz GZSCVHAXENKTDS-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000224721531 134350366 /nfs/dbraw/zinc/35/03/66/134350366.db2.gz SKZBEDISDAUFMH-UHFFFAOYSA-N 1 0 224.156 3.553 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000224746684 388670290 /nfs/dbraw/zinc/67/02/90/388670290.db2.gz IFSYAOMBBQVFFC-GFCCVEGCSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000224746725 259578417 /nfs/dbraw/zinc/57/84/17/259578417.db2.gz IFSYAOMBBQVFFC-LBPRGKRZSA-N 1 0 239.334 3.503 20 0 BHADRO CC1(C[NH2+]Cc2cccc3cc[nH]c32)CCCC1 ZINC000224746843 388670361 /nfs/dbraw/zinc/67/03/61/388670361.db2.gz XYLVJAYLLFVZIU-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000224816043 491160813 /nfs/dbraw/zinc/16/08/13/491160813.db2.gz ONDJUSOFQAJGSM-ZDUSSCGKSA-N 1 0 247.382 3.721 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000224816089 491160803 /nfs/dbraw/zinc/16/08/03/491160803.db2.gz ONDJUSOFQAJGSM-CYBMUJFWSA-N 1 0 247.382 3.721 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cncc2ccccc21 ZINC000224816157 640645840 /nfs/dbraw/zinc/64/58/40/640645840.db2.gz PJQRWQQOFUFMKN-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000224820125 259579743 /nfs/dbraw/zinc/57/97/43/259579743.db2.gz VLPLJFZFNQEELK-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000224820224 259351965 /nfs/dbraw/zinc/35/19/65/259351965.db2.gz VLPLJFZFNQEELK-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)([NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000224826233 635396153 /nfs/dbraw/zinc/39/61/53/635396153.db2.gz NCOHFTJSUIJKPX-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccco1 ZINC000224950236 363197939 /nfs/dbraw/zinc/19/79/39/363197939.db2.gz DNBNJRYYGXHMOE-ZDEQEGDKSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccco1 ZINC000224950619 134352258 /nfs/dbraw/zinc/35/22/58/134352258.db2.gz NCZODRVKODKFFD-VOAKCMCISA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccco1 ZINC000224953847 134352294 /nfs/dbraw/zinc/35/22/94/134352294.db2.gz NCZODRVKODKFFD-XQHKEYJVSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000224959291 386158451 /nfs/dbraw/zinc/15/84/51/386158451.db2.gz QLVIECPFGNIXGD-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccn1 ZINC000224960279 176896732 /nfs/dbraw/zinc/89/67/32/176896732.db2.gz OWWRFQFPAIVPGD-XDQVBPFNSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccn1 ZINC000224960632 491161417 /nfs/dbraw/zinc/16/14/17/491161417.db2.gz FTQJVXPIJOMHRO-ZOBORPQBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccn1 ZINC000224960668 134352243 /nfs/dbraw/zinc/35/22/43/134352243.db2.gz FTQJVXPIJOMHRO-RFGFWPKPSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000224961381 177183906 /nfs/dbraw/zinc/18/39/06/177183906.db2.gz QLVIECPFGNIXGD-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccn1 ZINC000224963303 134352237 /nfs/dbraw/zinc/35/22/37/134352237.db2.gz FTQJVXPIJOMHRO-RQJABVFESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cccnc1 ZINC000224967084 386160513 /nfs/dbraw/zinc/16/05/13/386160513.db2.gz SYRDKSUNOVIJPB-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1cccnc1 ZINC000224967841 386159444 /nfs/dbraw/zinc/15/94/44/386159444.db2.gz DWKZGDMUQUSLJG-PWNZVWSESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)c1cccnc1 ZINC000224968155 363199535 /nfs/dbraw/zinc/19/95/35/363199535.db2.gz QVDNDFHSXYUUST-UKTARXLSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cccnc1 ZINC000224968193 176925673 /nfs/dbraw/zinc/92/56/73/176925673.db2.gz QVDNDFHSXYUUST-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cccnc1 ZINC000224968757 177184281 /nfs/dbraw/zinc/18/42/81/177184281.db2.gz SYRDKSUNOVIJPB-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cccnc1 ZINC000224970398 177356508 /nfs/dbraw/zinc/35/65/08/177356508.db2.gz QVDNDFHSXYUUST-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000224975937 134352262 /nfs/dbraw/zinc/35/22/62/134352262.db2.gz SLZCFMFRTKQWIZ-PWNZVWSESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccncc1 ZINC000224976403 386159014 /nfs/dbraw/zinc/15/90/14/386159014.db2.gz LBSLVDFTLPMBJT-OSFYFWSMSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccncc1 ZINC000224979093 177356908 /nfs/dbraw/zinc/35/69/08/177356908.db2.gz LBSLVDFTLPMBJT-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981061 491161520 /nfs/dbraw/zinc/16/15/20/491161520.db2.gz RVDUBVNPSMXAKS-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000224981096 324196538 /nfs/dbraw/zinc/19/65/38/324196538.db2.gz LQMYYTVHOQKUBE-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981101 491161546 /nfs/dbraw/zinc/16/15/46/491161546.db2.gz RVDUBVNPSMXAKS-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000224981134 324196724 /nfs/dbraw/zinc/19/67/24/324196724.db2.gz LQMYYTVHOQKUBE-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981138 491161510 /nfs/dbraw/zinc/16/15/10/491161510.db2.gz RVDUBVNPSMXAKS-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(F)c1F ZINC000224981175 491161539 /nfs/dbraw/zinc/16/15/39/491161539.db2.gz RVDUBVNPSMXAKS-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224994435 259355045 /nfs/dbraw/zinc/35/50/45/259355045.db2.gz HAZBZWXFKRZBPE-QWRGUYRKSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224994475 259355063 /nfs/dbraw/zinc/35/50/63/259355063.db2.gz HAZBZWXFKRZBPE-MNOVXSKESA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000224994514 259355056 /nfs/dbraw/zinc/35/50/56/259355056.db2.gz HAZBZWXFKRZBPE-WDEREUQCSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000224994550 259355071 /nfs/dbraw/zinc/35/50/71/259355071.db2.gz HAZBZWXFKRZBPE-GHMZBOCLSA-N 1 0 241.325 3.908 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002625 487606008 /nfs/dbraw/zinc/60/60/08/487606008.db2.gz SYIMQVBFEHWGDN-ZJUUUORDSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002662 487605902 /nfs/dbraw/zinc/60/59/02/487605902.db2.gz SYIMQVBFEHWGDN-UWVGGRQHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002705 259355220 /nfs/dbraw/zinc/35/52/20/259355220.db2.gz SYIMQVBFEHWGDN-NXEZZACHSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002743 487605926 /nfs/dbraw/zinc/60/59/26/487605926.db2.gz SYIMQVBFEHWGDN-VHSXEESVSA-N 1 0 239.309 3.662 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cccc(F)c1F ZINC000225003792 358245083 /nfs/dbraw/zinc/24/50/83/358245083.db2.gz WOVAMYOIIXIPHU-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cccc(F)c1F ZINC000225003825 358244968 /nfs/dbraw/zinc/24/49/68/358244968.db2.gz WOVAMYOIIXIPHU-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000225005239 398104144 /nfs/dbraw/zinc/10/41/44/398104144.db2.gz RZUIPUIACDMKNK-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000225005276 398104490 /nfs/dbraw/zinc/10/44/90/398104490.db2.gz RZUIPUIACDMKNK-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc(F)c1F ZINC000225005331 259580605 /nfs/dbraw/zinc/58/06/05/259580605.db2.gz RBKCRXLZYOCLSV-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cccc(F)c1F ZINC000225005367 259580695 /nfs/dbraw/zinc/58/06/95/259580695.db2.gz RBKCRXLZYOCLSV-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cccc(F)c1F ZINC000225006092 491161745 /nfs/dbraw/zinc/16/17/45/491161745.db2.gz CFSXERVDSIDDMY-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cccc(F)c1F ZINC000225006129 491161730 /nfs/dbraw/zinc/16/17/30/491161730.db2.gz CFSXERVDSIDDMY-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225067695 488075510 /nfs/dbraw/zinc/07/55/10/488075510.db2.gz MTQNKTHENZVHKZ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225067735 487875609 /nfs/dbraw/zinc/87/56/09/487875609.db2.gz MTQNKTHENZVHKZ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)n1cncc1C[NH2+]CCCC1CCCC1 ZINC000225098344 134353004 /nfs/dbraw/zinc/35/30/04/134353004.db2.gz ABLRUBYAUREJBC-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225112091 487878796 /nfs/dbraw/zinc/87/87/96/487878796.db2.gz ZBJSMTZMHILKFA-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225112131 487878761 /nfs/dbraw/zinc/87/87/61/487878761.db2.gz ZBJSMTZMHILKFA-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225112169 487878909 /nfs/dbraw/zinc/87/89/09/487878909.db2.gz ZBJSMTZMHILKFA-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCO1 ZINC000225112207 488075520 /nfs/dbraw/zinc/07/55/20/488075520.db2.gz ZBJSMTZMHILKFA-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC1([NH2+]Cc2cc(F)c(F)cc2F)CCCC1 ZINC000225270739 259359062 /nfs/dbraw/zinc/35/90/62/259359062.db2.gz SCIRVONGMGBSES-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)c(F)cc1F ZINC000225273584 388678448 /nfs/dbraw/zinc/67/84/48/388678448.db2.gz AIVHZRNQSIXFLU-SNVBAGLBSA-N 1 0 245.288 3.772 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)c(F)cc1F ZINC000225273620 388677732 /nfs/dbraw/zinc/67/77/32/388677732.db2.gz AIVHZRNQSIXFLU-JTQLQIEISA-N 1 0 245.288 3.772 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000225277448 323037269 /nfs/dbraw/zinc/03/72/69/323037269.db2.gz QVCIRXHXQZDFEA-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000225278296 323037201 /nfs/dbraw/zinc/03/72/01/323037201.db2.gz JKVLLAKAFIVSRE-UVLXDEKHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000225281660 324197659 /nfs/dbraw/zinc/19/76/59/324197659.db2.gz QNFQVJOVAGHAPL-UTUOFQBUSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000225281729 324197600 /nfs/dbraw/zinc/19/76/00/324197600.db2.gz QNFQVJOVAGHAPL-WOPDTQHZSA-N 1 0 249.320 3.886 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)c(F)cc1F ZINC000225282146 386182524 /nfs/dbraw/zinc/18/25/24/386182524.db2.gz ZVPXGFOIYWBUFY-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C1CC1 ZINC000225283669 324196957 /nfs/dbraw/zinc/19/69/57/324196957.db2.gz UBUTXGOOODWYKP-UVLXDEKHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000225284265 324197573 /nfs/dbraw/zinc/19/75/73/324197573.db2.gz NPUCUEYNTFBXBS-GYSYKLTISA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 ZINC000225284358 323037630 /nfs/dbraw/zinc/03/76/30/323037630.db2.gz PNSNWTMDPZFQIF-WVWOOGAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C1CC1 ZINC000225284464 323037541 /nfs/dbraw/zinc/03/75/41/323037541.db2.gz CVKUFZXHGMJYQF-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C1CC1 ZINC000225284504 323037545 /nfs/dbraw/zinc/03/75/45/323037545.db2.gz CVKUFZXHGMJYQF-KWCYVHTRSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)([NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000225287985 388720367 /nfs/dbraw/zinc/72/03/67/388720367.db2.gz ZYXHMVVLWSAMSM-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225294846 640679961 /nfs/dbraw/zinc/67/99/61/640679961.db2.gz ZZMODQLUVBKUTF-SECBINFHSA-N 1 0 246.807 3.855 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225294874 640679872 /nfs/dbraw/zinc/67/98/72/640679872.db2.gz ZZMODQLUVBKUTF-VIFPVBQESA-N 1 0 246.807 3.855 20 0 BHADRO Clc1cnc(C[NH2+]C2CCCCCC2)s1 ZINC000225294960 345140197 /nfs/dbraw/zinc/14/01/97/345140197.db2.gz FZVLJOOCBAUBIF-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225295109 534914957 /nfs/dbraw/zinc/91/49/57/534914957.db2.gz KRCNUCZWDPMGPU-SECBINFHSA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225295142 134351966 /nfs/dbraw/zinc/35/19/66/134351966.db2.gz KRCNUCZWDPMGPU-VIFPVBQESA-N 1 0 246.807 3.711 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000225298587 640680710 /nfs/dbraw/zinc/68/07/10/640680710.db2.gz DUKQRXVBLANLON-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000225298620 640680997 /nfs/dbraw/zinc/68/09/97/640680997.db2.gz DUKQRXVBLANLON-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H](C)S1 ZINC000225308830 345750322 /nfs/dbraw/zinc/75/03/22/345750322.db2.gz GTHJHVJECLNTPI-JDPNTUOHSA-N 1 0 247.407 3.526 20 0 BHADRO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H](C)S1 ZINC000225308863 350358872 /nfs/dbraw/zinc/35/88/72/350358872.db2.gz GTHJHVJECLNTPI-YLXGSJGQSA-N 1 0 247.407 3.526 20 0 BHADRO CC1([NH2+]Cc2ncc(Cl)s2)CCCCC1 ZINC000225337084 535188861 /nfs/dbraw/zinc/18/88/61/535188861.db2.gz ZIYOAYSQXGECMB-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO C[C@@H](C[NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000225348283 711828122 /nfs/dbraw/zinc/82/81/22/711828122.db2.gz OBOYIOXGSVFRGQ-QMMMGPOBSA-N 1 0 246.807 3.568 20 0 BHADRO C[C@H](C[NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000225348321 711828043 /nfs/dbraw/zinc/82/80/43/711828043.db2.gz OBOYIOXGSVFRGQ-MRVPVSSYSA-N 1 0 246.807 3.568 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ncc(Cl)s1 ZINC000225355025 711828076 /nfs/dbraw/zinc/82/80/76/711828076.db2.gz COTYENVXLAGQPY-UHFFFAOYSA-N 1 0 246.807 3.712 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ncc(Cl)s1 ZINC000225356569 388677939 /nfs/dbraw/zinc/67/79/39/388677939.db2.gz UCZAXODPMOADNM-UHFFFAOYSA-N 1 0 246.807 3.855 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225358834 134354904 /nfs/dbraw/zinc/35/49/04/134354904.db2.gz JHBPFRBIBKMRIL-RKDXNWHRSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225358870 134354715 /nfs/dbraw/zinc/35/47/15/134354715.db2.gz JHBPFRBIBKMRIL-DTWKUNHWSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225358904 134355028 /nfs/dbraw/zinc/35/50/28/134355028.db2.gz JHBPFRBIBKMRIL-BDAKNGLRSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225358934 134354676 /nfs/dbraw/zinc/35/46/76/134354676.db2.gz JHBPFRBIBKMRIL-IUCAKERBSA-N 1 0 246.807 3.711 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000225509744 635410301 /nfs/dbraw/zinc/41/03/01/635410301.db2.gz UANFDXFNEQPCCG-KGLIPLIRSA-N 1 0 249.423 3.677 20 0 BHADRO CC(C)[C@@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000225617972 388682020 /nfs/dbraw/zinc/68/20/20/388682020.db2.gz PHCQAFUQFUSWBI-MRXNPFEDSA-N 1 0 243.350 3.809 20 0 BHADRO CC(C)[C@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000225618001 388681243 /nfs/dbraw/zinc/68/12/43/388681243.db2.gz PHCQAFUQFUSWBI-INIZCTEOSA-N 1 0 243.350 3.809 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000225628317 388682340 /nfs/dbraw/zinc/68/23/40/388682340.db2.gz IPQYLCRSKFZVCO-NFAWXSAZSA-N 1 0 245.366 3.849 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000225628371 388683073 /nfs/dbraw/zinc/68/30/73/388683073.db2.gz IPQYLCRSKFZVCO-UMVBOHGHSA-N 1 0 245.366 3.849 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC1(C)C ZINC000225774189 388690347 /nfs/dbraw/zinc/69/03/47/388690347.db2.gz TUPJHCPKMHEPGD-GXFFZTMASA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC1(C)C ZINC000225774211 388690336 /nfs/dbraw/zinc/69/03/36/388690336.db2.gz TUPJHCPKMHEPGD-ZWNOBZJWSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC1(C)C ZINC000225774228 388690636 /nfs/dbraw/zinc/69/06/36/388690636.db2.gz TUPJHCPKMHEPGD-GWCFXTLKSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC1(C)C ZINC000225774245 259592979 /nfs/dbraw/zinc/59/29/79/259592979.db2.gz TUPJHCPKMHEPGD-MFKMUULPSA-N 1 0 237.774 3.659 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000225810056 259368061 /nfs/dbraw/zinc/36/80/61/259368061.db2.gz FADVEOPMBYPAIL-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000225892894 345751130 /nfs/dbraw/zinc/75/11/30/345751130.db2.gz QMDGIIQLCWRXFV-CQSZACIVSA-N 1 0 239.309 3.585 20 0 BHADRO c1ccc2c(c1)COC[C@@H]2[NH2+]C1CCCCCC1 ZINC000225979006 398076188 /nfs/dbraw/zinc/07/61/88/398076188.db2.gz TXDKZBWQBHALTD-INIZCTEOSA-N 1 0 245.366 3.570 20 0 BHADRO c1ccc2c(c1)COC[C@H]2[NH2+]C1CCCCCC1 ZINC000225979024 259410620 /nfs/dbraw/zinc/41/06/20/259410620.db2.gz TXDKZBWQBHALTD-MRXNPFEDSA-N 1 0 245.366 3.570 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000225979083 388695399 /nfs/dbraw/zinc/69/53/99/388695399.db2.gz PEXBUZVHPAOSLW-CZUORRHYSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000225979099 385800316 /nfs/dbraw/zinc/80/03/16/385800316.db2.gz PEXBUZVHPAOSLW-XJKSGUPXSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000225979112 388694904 /nfs/dbraw/zinc/69/49/04/388694904.db2.gz PEXBUZVHPAOSLW-CJNGLKHVSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000225979127 259595911 /nfs/dbraw/zinc/59/59/11/259595911.db2.gz PEXBUZVHPAOSLW-BBRMVZONSA-N 1 0 247.382 3.672 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000225983936 640720638 /nfs/dbraw/zinc/72/06/38/640720638.db2.gz LVNKTZGOGUMKSP-CZUORRHYSA-N 1 0 247.382 3.816 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000225983948 711757422 /nfs/dbraw/zinc/75/74/22/711757422.db2.gz LVNKTZGOGUMKSP-XJKSGUPXSA-N 1 0 247.382 3.816 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000225983958 640720587 /nfs/dbraw/zinc/72/05/87/640720587.db2.gz LVNKTZGOGUMKSP-CJNGLKHVSA-N 1 0 247.382 3.816 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000225983972 640719991 /nfs/dbraw/zinc/71/99/91/640719991.db2.gz LVNKTZGOGUMKSP-BBRMVZONSA-N 1 0 247.382 3.816 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000226007503 487643975 /nfs/dbraw/zinc/64/39/75/487643975.db2.gz CYTMWOXPRGMSHQ-ZNMIVQPWSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000226007527 487643638 /nfs/dbraw/zinc/64/36/38/487643638.db2.gz CYTMWOXPRGMSHQ-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1COCc2ccccc21)C(C)(C)C ZINC000226007969 541362341 /nfs/dbraw/zinc/36/23/41/541362341.db2.gz FNZXJTDDJNPOPF-SWLSCSKDSA-N 1 0 247.382 3.530 20 0 BHADRO C[C@H](C[NH2+][C@@H]1COCc2ccccc21)C(C)(C)C ZINC000226007984 541362333 /nfs/dbraw/zinc/36/23/33/541362333.db2.gz FNZXJTDDJNPOPF-IUODEOHRSA-N 1 0 247.382 3.530 20 0 BHADRO C[C@@H](C[NH2+][C@H]1COCc2ccccc21)C(C)(C)C ZINC000226007993 541362348 /nfs/dbraw/zinc/36/23/48/541362348.db2.gz FNZXJTDDJNPOPF-WFASDCNBSA-N 1 0 247.382 3.530 20 0 BHADRO C[C@H](C[NH2+][C@H]1COCc2ccccc21)C(C)(C)C ZINC000226008007 541362430 /nfs/dbraw/zinc/36/24/30/541362430.db2.gz FNZXJTDDJNPOPF-DOMZBBRYSA-N 1 0 247.382 3.530 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(CO)cc1 ZINC000226023866 487644724 /nfs/dbraw/zinc/64/47/24/487644724.db2.gz PPGONSOWIFGBPN-MRXNPFEDSA-N 1 0 249.398 3.627 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccc(CO)cc1 ZINC000226023877 487645163 /nfs/dbraw/zinc/64/51/63/487645163.db2.gz PPGONSOWIFGBPN-INIZCTEOSA-N 1 0 249.398 3.627 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000226128742 259603433 /nfs/dbraw/zinc/60/34/33/259603433.db2.gz JWPABMPNWORXLA-SDDRHHMPSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1C ZINC000226129474 388706921 /nfs/dbraw/zinc/70/69/21/388706921.db2.gz LVFVWVUYASRVSB-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1C ZINC000226129483 388706762 /nfs/dbraw/zinc/70/67/62/388706762.db2.gz LVFVWVUYASRVSB-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO C(C[NH+]1CCCCC1)SC1CCCCC1 ZINC000226132660 345751187 /nfs/dbraw/zinc/75/11/87/345751187.db2.gz ICAWEGHURYWGLH-UHFFFAOYSA-N 1 0 227.417 3.538 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)[C@@H](C)C1 ZINC000226157305 259604794 /nfs/dbraw/zinc/60/47/94/259604794.db2.gz KUOPGFASIYSYEI-UHIISALHSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)[C@@H](C)C1 ZINC000226157324 398112535 /nfs/dbraw/zinc/11/25/35/398112535.db2.gz KUOPGFASIYSYEI-SUNKGSAMSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000226157491 398112580 /nfs/dbraw/zinc/11/25/80/398112580.db2.gz WOLAUVDWZVKSOI-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000226157506 259604800 /nfs/dbraw/zinc/60/48/00/259604800.db2.gz WOLAUVDWZVKSOI-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000226159715 640736490 /nfs/dbraw/zinc/73/64/90/640736490.db2.gz UIKHFUWCUZQELX-OSFYFWSMSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000226159722 640737646 /nfs/dbraw/zinc/73/76/46/640737646.db2.gz UIKHFUWCUZQELX-COMQUAJESA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000226160041 398112501 /nfs/dbraw/zinc/11/25/01/398112501.db2.gz AXGDOMBKIHBCFH-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000226160055 398112441 /nfs/dbraw/zinc/11/24/41/398112441.db2.gz AXGDOMBKIHBCFH-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000226160105 398112563 /nfs/dbraw/zinc/11/25/63/398112563.db2.gz HMXHLCKTSYXHNR-DVOMOZLQSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000226160121 398112415 /nfs/dbraw/zinc/11/24/15/398112415.db2.gz HMXHLCKTSYXHNR-HEHGZKQESA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cccc(O)c1 ZINC000226160874 398112400 /nfs/dbraw/zinc/11/24/00/398112400.db2.gz IXPRUGZXAILCNH-IATRGZMQSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1cccc(O)c1 ZINC000226160881 388707850 /nfs/dbraw/zinc/70/78/50/388707850.db2.gz IXPRUGZXAILCNH-DVZHBHJUSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1(C)CC1 ZINC000226161329 640737242 /nfs/dbraw/zinc/73/72/42/640737242.db2.gz LFRVEWQRZWCOGN-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1(C)CC1 ZINC000226161337 640736972 /nfs/dbraw/zinc/73/69/72/640736972.db2.gz LFRVEWQRZWCOGN-VOAKCMCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226165070 387982240 /nfs/dbraw/zinc/98/22/40/387982240.db2.gz YTMYQGIXENOVBS-VNHYZAJKSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226165088 387982634 /nfs/dbraw/zinc/98/26/34/387982634.db2.gz YTMYQGIXENOVBS-IPYPFGDCSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC000226167249 134359495 /nfs/dbraw/zinc/35/94/95/134359495.db2.gz FAJFSCWQPISRNY-NTZNESFSSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC000226167266 134359653 /nfs/dbraw/zinc/35/96/53/134359653.db2.gz FAJFSCWQPISRNY-MDZLAQPJSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000226167918 388708272 /nfs/dbraw/zinc/70/82/72/388708272.db2.gz ICTBNCBIKVZVQH-JFGNBEQYSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000226167932 323326413 /nfs/dbraw/zinc/32/64/13/323326413.db2.gz ICTBNCBIKVZVQH-SCVCMEIPSA-N 1 0 241.762 3.847 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000226169275 388708468 /nfs/dbraw/zinc/70/84/68/388708468.db2.gz QOFZMLKXEYCQTE-DVOMOZLQSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000226169288 388708189 /nfs/dbraw/zinc/70/81/89/388708189.db2.gz QOFZMLKXEYCQTE-HEHGZKQESA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC000226171237 388708279 /nfs/dbraw/zinc/70/82/79/388708279.db2.gz RVHYMFWVGUXBHO-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC000226171252 388707928 /nfs/dbraw/zinc/70/79/28/388707928.db2.gz RVHYMFWVGUXBHO-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226171270 388708607 /nfs/dbraw/zinc/70/86/07/388708607.db2.gz BPEPQBKVEXUBBH-VNHYZAJKSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000226171282 388708479 /nfs/dbraw/zinc/70/84/79/388708479.db2.gz BPEPQBKVEXUBBH-KCQAQPDRSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)[C@@H](C)C1 ZINC000226172925 259605483 /nfs/dbraw/zinc/60/54/83/259605483.db2.gz SIBYSSBQIYEZHT-NTZNESFSSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)[C@@H](C)C1 ZINC000226172941 387047871 /nfs/dbraw/zinc/04/78/71/387047871.db2.gz SIBYSSBQIYEZHT-MDZLAQPJSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226173217 388707782 /nfs/dbraw/zinc/70/77/82/388707782.db2.gz FVVZGZVUSLMDGP-ZOBORPQBSA-N 1 0 211.393 3.835 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226173725 388708600 /nfs/dbraw/zinc/70/86/00/388708600.db2.gz NGSYFOSQNIGTQH-ZOBORPQBSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000226180475 388709596 /nfs/dbraw/zinc/70/95/96/388709596.db2.gz RWCSELJPOIASMF-MBNYWOFBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000226180489 259466191 /nfs/dbraw/zinc/46/61/91/259466191.db2.gz RWCSELJPOIASMF-DYEKYZERSA-N 1 0 237.412 3.705 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000226237741 635431129 /nfs/dbraw/zinc/43/11/29/635431129.db2.gz XWDQLISLBHYWJW-CYBMUJFWSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000226237750 640741319 /nfs/dbraw/zinc/74/13/19/640741319.db2.gz XWDQLISLBHYWJW-ZDUSSCGKSA-N 1 0 237.391 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+]CCCC2CCCC2)cn1 ZINC000226239822 535060669 /nfs/dbraw/zinc/06/06/69/535060669.db2.gz GEHXDMKAVXZEJJ-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)n1cc(C[NH2+]CCC2CCCCC2)cn1 ZINC000226239975 535060541 /nfs/dbraw/zinc/06/05/41/535060541.db2.gz CQTQKGOOTFGIQI-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000226240312 134361863 /nfs/dbraw/zinc/36/18/63/134361863.db2.gz LIMXXBWZNWSRDN-CABCVRRESA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000226240319 134362224 /nfs/dbraw/zinc/36/22/24/134362224.db2.gz LIMXXBWZNWSRDN-GJZGRUSLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000226240328 535819291 /nfs/dbraw/zinc/81/92/91/535819291.db2.gz LIMXXBWZNWSRDN-HUUCEWRRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000226240334 134362091 /nfs/dbraw/zinc/36/20/91/134362091.db2.gz LIMXXBWZNWSRDN-LSDHHAIUSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([NH2+]Cc2cnn(C(C)C)c2)CC1 ZINC000226241558 134361954 /nfs/dbraw/zinc/36/19/54/134361954.db2.gz SXHPIBVCOKNXGT-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000226245187 358336514 /nfs/dbraw/zinc/33/65/14/358336514.db2.gz GDWMXRYPMQFIMS-LLVKDONJSA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC2(C)C)o1 ZINC000226253975 134361893 /nfs/dbraw/zinc/36/18/93/134361893.db2.gz SVTLSEJCSCBWRU-MDZLAQPJSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC2(C)C)o1 ZINC000226253987 134361960 /nfs/dbraw/zinc/36/19/60/134361960.db2.gz SVTLSEJCSCBWRU-NTZNESFSSA-N 1 0 233.355 3.539 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000226254543 134362248 /nfs/dbraw/zinc/36/22/48/134362248.db2.gz MVPVREIPSLVHEG-GFCCVEGCSA-N 1 0 229.323 3.569 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000226254553 534918342 /nfs/dbraw/zinc/91/83/42/534918342.db2.gz MVPVREIPSLVHEG-LBPRGKRZSA-N 1 0 229.323 3.569 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000226254626 387303872 /nfs/dbraw/zinc/30/38/72/387303872.db2.gz JSXXGVRYAQEZLA-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000226254631 387303930 /nfs/dbraw/zinc/30/39/30/387303930.db2.gz JSXXGVRYAQEZLA-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000226254643 388712723 /nfs/dbraw/zinc/71/27/23/388712723.db2.gz RJOTYDZTOOTGTR-AWEZNQCLSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000226254654 259608906 /nfs/dbraw/zinc/60/89/06/259608906.db2.gz RJOTYDZTOOTGTR-CQSZACIVSA-N 1 0 247.382 3.610 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000226254952 385005275 /nfs/dbraw/zinc/00/52/75/385005275.db2.gz XMFRYGJLINIQAV-AWEZNQCLSA-N 1 0 247.382 3.611 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000226254957 385004304 /nfs/dbraw/zinc/00/43/04/385004304.db2.gz XMFRYGJLINIQAV-CQSZACIVSA-N 1 0 247.382 3.611 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000226255311 388712566 /nfs/dbraw/zinc/71/25/66/388712566.db2.gz ABAPWESPFYBJFL-AWEZNQCLSA-N 1 0 247.382 3.611 20 0 BHADRO CCCOc1cccc(C[NH2+]C[C@H]2CC2(C)C)c1 ZINC000226255319 388712841 /nfs/dbraw/zinc/71/28/41/388712841.db2.gz ABAPWESPFYBJFL-CQSZACIVSA-N 1 0 247.382 3.611 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000226256038 388712599 /nfs/dbraw/zinc/71/25/99/388712599.db2.gz KZHAJFSMHRHTAK-OAHLLOKOSA-N 1 0 239.362 3.976 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000226256046 387304007 /nfs/dbraw/zinc/30/40/07/387304007.db2.gz KZHAJFSMHRHTAK-HNNXBMFYSA-N 1 0 239.362 3.976 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC000226256303 387308072 /nfs/dbraw/zinc/30/80/72/387308072.db2.gz YXLPZRMAUSYCOJ-SECBINFHSA-N 1 0 241.737 3.615 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC000226256309 387308246 /nfs/dbraw/zinc/30/82/46/387308246.db2.gz YXLPZRMAUSYCOJ-VIFPVBQESA-N 1 0 241.737 3.615 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000226256339 134362340 /nfs/dbraw/zinc/36/23/40/134362340.db2.gz QKLFEGOGLHILGL-LBPRGKRZSA-N 1 0 235.396 3.544 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000226256347 134362446 /nfs/dbraw/zinc/36/24/46/134362446.db2.gz QKLFEGOGLHILGL-GFCCVEGCSA-N 1 0 235.396 3.544 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC1(C)C ZINC000226257224 388712522 /nfs/dbraw/zinc/71/25/22/388712522.db2.gz IDNFBVZNIAYWQV-AWEZNQCLSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC1(C)C ZINC000226257234 388712636 /nfs/dbraw/zinc/71/26/36/388712636.db2.gz IDNFBVZNIAYWQV-CQSZACIVSA-N 1 0 247.382 3.610 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000226257244 259608889 /nfs/dbraw/zinc/60/88/89/259608889.db2.gz MZWJLYPVKQXBIQ-MRXNPFEDSA-N 1 0 239.362 3.976 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000226257248 259608909 /nfs/dbraw/zinc/60/89/09/259608909.db2.gz MZWJLYPVKQXBIQ-INIZCTEOSA-N 1 0 239.362 3.976 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000226257558 259608907 /nfs/dbraw/zinc/60/89/07/259608907.db2.gz PQCKHAMTFFDSPA-SNVBAGLBSA-N 1 0 241.737 3.615 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000226257565 386242250 /nfs/dbraw/zinc/24/22/50/386242250.db2.gz PQCKHAMTFFDSPA-JTQLQIEISA-N 1 0 241.737 3.615 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000226257574 259498522 /nfs/dbraw/zinc/49/85/22/259498522.db2.gz PTTZKEJBZQEWDX-AWEZNQCLSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C[C@H]2CC2(C)C)c1 ZINC000226257581 259498531 /nfs/dbraw/zinc/49/85/31/259498531.db2.gz PTTZKEJBZQEWDX-CQSZACIVSA-N 1 0 247.382 3.610 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccnc2ccccc12 ZINC000226267497 538115175 /nfs/dbraw/zinc/11/51/75/538115175.db2.gz NGTCTKOCEASTAR-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1nccs1 ZINC000226268962 538115226 /nfs/dbraw/zinc/11/52/26/538115226.db2.gz WRNLGCOLZYPJRK-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1nccs1 ZINC000226268969 538115206 /nfs/dbraw/zinc/11/52/06/538115206.db2.gz WRNLGCOLZYPJRK-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cccc(O)c1 ZINC000226269397 387325063 /nfs/dbraw/zinc/32/50/63/387325063.db2.gz APMPOKUVUWRRJI-CQSZACIVSA-N 1 0 235.371 3.841 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cccc(O)c1 ZINC000226269406 388713887 /nfs/dbraw/zinc/71/38/87/388713887.db2.gz APMPOKUVUWRRJI-AWEZNQCLSA-N 1 0 235.371 3.841 20 0 BHADRO CCCC(CCC)[NH2+]CCc1ccccc1OC ZINC000226312339 387379842 /nfs/dbraw/zinc/37/98/42/387379842.db2.gz AXSHDNVCVIJVBY-UHFFFAOYSA-N 1 0 249.398 3.796 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000226313149 388714887 /nfs/dbraw/zinc/71/48/87/388714887.db2.gz QOMVILNEGRJTOR-XJKSGUPXSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000226313156 388715057 /nfs/dbraw/zinc/71/50/57/388715057.db2.gz QOMVILNEGRJTOR-BBRMVZONSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000226313163 388714898 /nfs/dbraw/zinc/71/48/98/388714898.db2.gz QOMVILNEGRJTOR-CZUORRHYSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000226313171 259610154 /nfs/dbraw/zinc/61/01/54/259610154.db2.gz QOMVILNEGRJTOR-CJNGLKHVSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC(CCC)[NH2+]CCc1csc(C)n1 ZINC000226313513 262913244 /nfs/dbraw/zinc/91/32/44/262913244.db2.gz YBOCIKNVLAZOHG-UHFFFAOYSA-N 1 0 240.416 3.552 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000226314207 388714702 /nfs/dbraw/zinc/71/47/02/388714702.db2.gz BTWADYFWUHSRBP-AXFHLTTASA-N 1 0 223.747 3.647 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000226314214 388714611 /nfs/dbraw/zinc/71/46/11/388714611.db2.gz BTWADYFWUHSRBP-HBNTYKKESA-N 1 0 223.747 3.647 20 0 BHADRO CCCC(CCC)[NH2+]CCc1cccc(OC)c1 ZINC000226314723 387386640 /nfs/dbraw/zinc/38/66/40/387386640.db2.gz FATWDEWBKHBKDO-UHFFFAOYSA-N 1 0 249.398 3.796 20 0 BHADRO CCCC(CCC)[NH2+]CCSC(F)(F)F ZINC000226315270 711830934 /nfs/dbraw/zinc/83/09/34/711830934.db2.gz DCAWVLCSDUWJLC-UHFFFAOYSA-N 1 0 243.338 3.798 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000226318593 388715130 /nfs/dbraw/zinc/71/51/30/388715130.db2.gz DSKGTJAISUUICO-IACUBPJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000226318605 387401358 /nfs/dbraw/zinc/40/13/58/387401358.db2.gz DSKGTJAISUUICO-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000226319675 134360331 /nfs/dbraw/zinc/36/03/31/134360331.db2.gz QUZFNZKABYSTMO-UEKVPHQBSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000226319680 134360180 /nfs/dbraw/zinc/36/01/80/134360180.db2.gz QUZFNZKABYSTMO-HFAKWTLXSA-N 1 0 215.340 3.623 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000226328886 635428433 /nfs/dbraw/zinc/42/84/33/635428433.db2.gz GZQYLYGVVYRHMV-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000226328891 640747203 /nfs/dbraw/zinc/74/72/03/640747203.db2.gz GZQYLYGVVYRHMV-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000226330228 388716352 /nfs/dbraw/zinc/71/63/52/388716352.db2.gz NQQJTYJXRDUXRJ-JHJVBQTASA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C1CC1 ZINC000226330236 388715984 /nfs/dbraw/zinc/71/59/84/388715984.db2.gz NQQJTYJXRDUXRJ-FRRDWIJNSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000226368243 388717191 /nfs/dbraw/zinc/71/71/91/388717191.db2.gz YJWKEAUAPXVUQF-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000226368250 259610553 /nfs/dbraw/zinc/61/05/53/259610553.db2.gz YJWKEAUAPXVUQF-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000226373824 388716815 /nfs/dbraw/zinc/71/68/15/388716815.db2.gz FXJVLFOAOMAKGD-OAHLLOKOSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000226373828 259610633 /nfs/dbraw/zinc/61/06/33/259610633.db2.gz FXJVLFOAOMAKGD-HNNXBMFYSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC(C)(C)C1 ZINC000226376839 259611361 /nfs/dbraw/zinc/61/13/61/259611361.db2.gz CVVZRQDWVMSQGS-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC(C)(C)C1 ZINC000226376848 323150453 /nfs/dbraw/zinc/15/04/53/323150453.db2.gz CVVZRQDWVMSQGS-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1C ZINC000226377074 388717335 /nfs/dbraw/zinc/71/73/35/388717335.db2.gz MAXRCDBGJDLHIE-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1C ZINC000226377079 323150458 /nfs/dbraw/zinc/15/04/58/323150458.db2.gz MAXRCDBGJDLHIE-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1C ZINC000226377085 323150451 /nfs/dbraw/zinc/15/04/51/323150451.db2.gz MAXRCDBGJDLHIE-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1C ZINC000226377091 323150457 /nfs/dbraw/zinc/15/04/57/323150457.db2.gz MAXRCDBGJDLHIE-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000226378160 351233742 /nfs/dbraw/zinc/23/37/42/351233742.db2.gz PBXMDPJOSLFOBI-ZDUSSCGKSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCSC1 ZINC000226378163 351233521 /nfs/dbraw/zinc/23/35/21/351233521.db2.gz PBXMDPJOSLFOBI-CYBMUJFWSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000226378192 323150454 /nfs/dbraw/zinc/15/04/54/323150454.db2.gz AVEMYFXEKOQVTC-BFHYXJOUSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000226378204 259611467 /nfs/dbraw/zinc/61/14/67/259611467.db2.gz AVEMYFXEKOQVTC-MJBXVCDLSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000226378216 388716765 /nfs/dbraw/zinc/71/67/65/388716765.db2.gz PLZIMHZTKDHCDH-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000226378223 388717389 /nfs/dbraw/zinc/71/73/89/388717389.db2.gz PLZIMHZTKDHCDH-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000226378228 388717412 /nfs/dbraw/zinc/71/74/12/388717412.db2.gz PLZIMHZTKDHCDH-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000226378234 388717150 /nfs/dbraw/zinc/71/71/50/388717150.db2.gz PLZIMHZTKDHCDH-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000226379827 259611548 /nfs/dbraw/zinc/61/15/48/259611548.db2.gz XDGPEZMUWOSREQ-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000226379831 388717661 /nfs/dbraw/zinc/71/76/61/388717661.db2.gz XDGPEZMUWOSREQ-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000226379834 259611542 /nfs/dbraw/zinc/61/15/42/259611542.db2.gz XDGPEZMUWOSREQ-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000226379841 351238799 /nfs/dbraw/zinc/23/87/99/351238799.db2.gz XDGPEZMUWOSREQ-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000226380842 134364614 /nfs/dbraw/zinc/36/46/14/134364614.db2.gz VZPLTHGVHLXXKV-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000226380846 534917937 /nfs/dbraw/zinc/91/79/37/534917937.db2.gz VZPLTHGVHLXXKV-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000226381583 538115883 /nfs/dbraw/zinc/11/58/83/538115883.db2.gz FVRDYCGWWJBFIF-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CC1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000226382681 323150482 /nfs/dbraw/zinc/15/04/82/323150482.db2.gz XGFKVNQXJIBTRD-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO CC(C)([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000226382789 358338312 /nfs/dbraw/zinc/33/83/12/358338312.db2.gz VYVDCSJQXLDJFQ-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)([NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000226382807 538115902 /nfs/dbraw/zinc/11/59/02/538115902.db2.gz NHXYHGPAYRJKOL-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000226384005 388717617 /nfs/dbraw/zinc/71/76/17/388717617.db2.gz FARZOPDBMWITOL-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000226384014 388717499 /nfs/dbraw/zinc/71/74/99/388717499.db2.gz FARZOPDBMWITOL-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C[C@@H]1CCSC1 ZINC000226384040 323150491 /nfs/dbraw/zinc/15/04/91/323150491.db2.gz WGCPGPXWGMWLDE-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C[C@@H]1CCSC1 ZINC000226384045 323150503 /nfs/dbraw/zinc/15/05/03/323150503.db2.gz WGCPGPXWGMWLDE-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C[C@H]1CCSC1 ZINC000226384049 323150520 /nfs/dbraw/zinc/15/05/20/323150520.db2.gz WGCPGPXWGMWLDE-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C[C@H]1CCSC1 ZINC000226384054 388717444 /nfs/dbraw/zinc/71/74/44/388717444.db2.gz WGCPGPXWGMWLDE-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCC1(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000226384157 538115760 /nfs/dbraw/zinc/11/57/60/538115760.db2.gz ZEPZIHJWVQKLHY-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C[NH2+]Cc2ccc3cnccc3c2)CCC1 ZINC000226384170 538115807 /nfs/dbraw/zinc/11/58/07/538115807.db2.gz GLILWZOAHZJQOY-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000226384349 388717288 /nfs/dbraw/zinc/71/72/88/388717288.db2.gz CVXFIZSLYZWBRT-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000226384992 388717282 /nfs/dbraw/zinc/71/72/82/388717282.db2.gz MWFWKJDSTJYQPA-HSBZDZAISA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000226384998 388717633 /nfs/dbraw/zinc/71/76/33/388717633.db2.gz MWFWKJDSTJYQPA-IYXRBSQSSA-N 1 0 241.444 3.544 20 0 BHADRO Clc1csc(C[NH2+]CCC2=CCCC2)c1 ZINC000226385983 134364804 /nfs/dbraw/zinc/36/48/04/134364804.db2.gz QYZUMYCVNPTJHN-UHFFFAOYSA-N 1 0 241.787 3.992 20 0 BHADRO CC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000226387635 343210867 /nfs/dbraw/zinc/21/08/67/343210867.db2.gz OXAQGJZAXGXUCZ-UHFFFAOYSA-N 1 0 225.282 3.514 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cc(C)ccc1F ZINC000226388901 134365088 /nfs/dbraw/zinc/36/50/88/134365088.db2.gz CJWNOOXPVFRIJN-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cscc1C ZINC000226402031 388718544 /nfs/dbraw/zinc/71/85/44/388718544.db2.gz YZJQKHPESSCWQY-GFCCVEGCSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cscc1C ZINC000226402037 259611536 /nfs/dbraw/zinc/61/15/36/259611536.db2.gz YZJQKHPESSCWQY-LBPRGKRZSA-N 1 0 211.374 3.725 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2)[C@@H](C)C1 ZINC000226424526 259612522 /nfs/dbraw/zinc/61/25/22/259612522.db2.gz DDILLAZRTVMBEW-MBNYWOFBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2ccsc2)[C@@H](C)C1 ZINC000226424536 388717995 /nfs/dbraw/zinc/71/79/95/388717995.db2.gz DDILLAZRTVMBEW-DYEKYZERSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CC2(C)CC2)s1 ZINC000226455227 323150957 /nfs/dbraw/zinc/15/09/57/323150957.db2.gz LMIMUBXCZYITOI-UHFFFAOYSA-N 1 0 237.412 3.935 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000226501432 388720312 /nfs/dbraw/zinc/72/03/12/388720312.db2.gz SNDBTNCVYLWWAD-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000226501440 259613066 /nfs/dbraw/zinc/61/30/66/259613066.db2.gz SNDBTNCVYLWWAD-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000226502130 323151647 /nfs/dbraw/zinc/15/16/47/323151647.db2.gz FWQOWUMWPUDOAS-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000226502131 323151668 /nfs/dbraw/zinc/15/16/68/323151668.db2.gz FWQOWUMWPUDOAS-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000226502324 134364078 /nfs/dbraw/zinc/36/40/78/134364078.db2.gz GJCDCKCTTCCWIN-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000226502329 134364158 /nfs/dbraw/zinc/36/41/58/134364158.db2.gz GJCDCKCTTCCWIN-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CC=CCC1 ZINC000226503885 388721053 /nfs/dbraw/zinc/72/10/53/388721053.db2.gz ZUCIUFRSFBVNKG-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000226504053 388720416 /nfs/dbraw/zinc/72/04/16/388720416.db2.gz LQURYJIBUVRENR-IJLUTSLNSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000226504063 386825120 /nfs/dbraw/zinc/82/51/20/386825120.db2.gz LQURYJIBUVRENR-UTUOFQBUSA-N 1 0 247.304 3.806 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@@H]1C ZINC000226504912 388720914 /nfs/dbraw/zinc/72/09/14/388720914.db2.gz HDKQIJSRUGYDRW-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000226505422 351868931 /nfs/dbraw/zinc/86/89/31/351868931.db2.gz OVYIRDKYJWHDPW-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]1C ZINC000226509654 388721610 /nfs/dbraw/zinc/72/16/10/388721610.db2.gz OFUXQHGPDLJFES-SYQHCUMBSA-N 1 0 207.361 3.509 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC=CCC1 ZINC000226510695 259614039 /nfs/dbraw/zinc/61/40/39/259614039.db2.gz JIMVQFMQRFPCFO-BFHYXJOUSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC=CCC1 ZINC000226510706 259434587 /nfs/dbraw/zinc/43/45/87/259434587.db2.gz JIMVQFMQRFPCFO-MELADBBJSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000226511019 323099001 /nfs/dbraw/zinc/09/90/01/323099001.db2.gz MSKRWOLFESTALY-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000226511029 388721493 /nfs/dbraw/zinc/72/14/93/388721493.db2.gz MSKRWOLFESTALY-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CC=CCC2)C[C@H](C)C1 ZINC000226511760 385770906 /nfs/dbraw/zinc/77/09/06/385770906.db2.gz AQNXLWQDDFFHIK-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCC1=CCCC1 ZINC000226514211 134363950 /nfs/dbraw/zinc/36/39/50/134363950.db2.gz NAWOQZCLURODSK-UHFFFAOYSA-N 1 0 233.330 3.724 20 0 BHADRO CC1(C)C[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000226531160 134364242 /nfs/dbraw/zinc/36/42/42/134364242.db2.gz JDMQMYKYHRCVRT-LLVKDONJSA-N 1 0 226.323 3.693 20 0 BHADRO CC1(C)C[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000226531164 534919617 /nfs/dbraw/zinc/91/96/17/534919617.db2.gz JDMQMYKYHRCVRT-NSHDSACASA-N 1 0 226.323 3.693 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C(C)(C)C ZINC000226539927 388721717 /nfs/dbraw/zinc/72/17/17/388721717.db2.gz ZJAYDJFNESOBAO-UHFFFAOYSA-N 1 0 245.288 3.902 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(C)C ZINC000226539949 388722124 /nfs/dbraw/zinc/72/21/24/388722124.db2.gz CGATYLQJGGCAPY-UHFFFAOYSA-N 1 0 245.288 3.759 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226542243 640773970 /nfs/dbraw/zinc/77/39/70/640773970.db2.gz DLCFZQWHSNTLNP-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000226542256 640772960 /nfs/dbraw/zinc/77/29/60/640772960.db2.gz DLCFZQWHSNTLNP-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226542283 538116611 /nfs/dbraw/zinc/11/66/11/538116611.db2.gz HVHDCAQQOFEAPK-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000226542363 538116737 /nfs/dbraw/zinc/11/67/37/538116737.db2.gz XDFKLXFUUHHGIS-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000226542370 538116623 /nfs/dbraw/zinc/11/66/23/538116623.db2.gz XDFKLXFUUHHGIS-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226542464 640774174 /nfs/dbraw/zinc/77/41/74/640774174.db2.gz JUHILPYASIPOJR-RRFJBIMHSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000226542476 640773381 /nfs/dbraw/zinc/77/33/81/640773381.db2.gz JUHILPYASIPOJR-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000226543497 487754714 /nfs/dbraw/zinc/75/47/14/487754714.db2.gz LHGORQJNBCRTEW-BZUAXINKSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000226543501 487755079 /nfs/dbraw/zinc/75/50/79/487755079.db2.gz LHGORQJNBCRTEW-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000226543505 487755117 /nfs/dbraw/zinc/75/51/17/487755117.db2.gz LHGORQJNBCRTEW-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000226543511 487755154 /nfs/dbraw/zinc/75/51/54/487755154.db2.gz LHGORQJNBCRTEW-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000226573712 388722958 /nfs/dbraw/zinc/72/29/58/388722958.db2.gz TUCMROPPXAEIAB-RRFJBIMHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000226573724 388723099 /nfs/dbraw/zinc/72/30/99/388723099.db2.gz TUCMROPPXAEIAB-SOUVJXGZSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000226573863 487755674 /nfs/dbraw/zinc/75/56/74/487755674.db2.gz KMTNPKDHAVHYQN-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000226573875 487755574 /nfs/dbraw/zinc/75/55/74/487755574.db2.gz KMTNPKDHAVHYQN-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000226577783 635436898 /nfs/dbraw/zinc/43/68/98/635436898.db2.gz CIMGIHQZUZKCRX-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000226577794 640776166 /nfs/dbraw/zinc/77/61/66/640776166.db2.gz CIMGIHQZUZKCRX-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000226577825 635438145 /nfs/dbraw/zinc/43/81/45/635438145.db2.gz WGYCZFMYIGCGCN-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000226577835 640775800 /nfs/dbraw/zinc/77/58/00/640775800.db2.gz WGYCZFMYIGCGCN-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000226579413 388722356 /nfs/dbraw/zinc/72/23/56/388722356.db2.gz WVVDPRAFABYCIY-LLVKDONJSA-N 1 0 223.385 3.664 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+]Cc1cccs1 ZINC000226579420 386176530 /nfs/dbraw/zinc/17/65/30/386176530.db2.gz WVVDPRAFABYCIY-NSHDSACASA-N 1 0 223.385 3.664 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000226582675 387949081 /nfs/dbraw/zinc/94/90/81/387949081.db2.gz LGIHMMQZIXCRBS-IMJJTQAJSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000226582685 387950492 /nfs/dbraw/zinc/95/04/92/387950492.db2.gz LGIHMMQZIXCRBS-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000226583250 387950229 /nfs/dbraw/zinc/95/02/29/387950229.db2.gz QAIIFGUHSYXNTJ-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000226583256 387950382 /nfs/dbraw/zinc/95/03/82/387950382.db2.gz QAIIFGUHSYXNTJ-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000226586681 640779320 /nfs/dbraw/zinc/77/93/20/640779320.db2.gz XVGDKUQLWGQDJN-ZNMIVQPWSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000226586695 640778935 /nfs/dbraw/zinc/77/89/35/640778935.db2.gz XVGDKUQLWGQDJN-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226586704 640777524 /nfs/dbraw/zinc/77/75/24/640777524.db2.gz VJCZSKBOGXTSMQ-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226586716 640778747 /nfs/dbraw/zinc/77/87/47/640778747.db2.gz VJCZSKBOGXTSMQ-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000226589164 386341046 /nfs/dbraw/zinc/34/10/46/386341046.db2.gz ATERIKAZDOYCPI-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000226589174 386341591 /nfs/dbraw/zinc/34/15/91/386341591.db2.gz ATERIKAZDOYCPI-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000226594828 487756556 /nfs/dbraw/zinc/75/65/56/487756556.db2.gz ZMBRQISDZBVQHD-OWCLPIDISA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000226594832 487756646 /nfs/dbraw/zinc/75/66/46/487756646.db2.gz ZMBRQISDZBVQHD-HRCADAONSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000226595236 538117076 /nfs/dbraw/zinc/11/70/76/538117076.db2.gz XQZYTQAPUUTREA-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000226595245 491097773 /nfs/dbraw/zinc/09/77/73/491097773.db2.gz XQZYTQAPUUTREA-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1F ZINC000226620159 535803037 /nfs/dbraw/zinc/80/30/37/535803037.db2.gz HDLMDKJIZZLTSI-CYBMUJFWSA-N 1 0 221.319 3.667 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1F ZINC000226620165 134368112 /nfs/dbraw/zinc/36/81/12/134368112.db2.gz HDLMDKJIZZLTSI-ZDUSSCGKSA-N 1 0 221.319 3.667 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000226656810 259616608 /nfs/dbraw/zinc/61/66/08/259616608.db2.gz OZXYJEPSXCIMNZ-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000226656820 388724954 /nfs/dbraw/zinc/72/49/54/388724954.db2.gz OZXYJEPSXCIMNZ-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000226660036 538117342 /nfs/dbraw/zinc/11/73/42/538117342.db2.gz YDCFXHPMZBNQIX-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000226660047 538117312 /nfs/dbraw/zinc/11/73/12/538117312.db2.gz YDCFXHPMZBNQIX-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000226711654 259617529 /nfs/dbraw/zinc/61/75/29/259617529.db2.gz MVDKYRICPZPJQJ-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000226711670 388727532 /nfs/dbraw/zinc/72/75/32/388727532.db2.gz MVDKYRICPZPJQJ-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000226750900 388738641 /nfs/dbraw/zinc/73/86/41/388738641.db2.gz VWEPHOVWCCOQIW-OUCADQQQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000226750906 324808761 /nfs/dbraw/zinc/80/87/61/324808761.db2.gz VWEPHOVWCCOQIW-SCRDCRAPSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226750919 388728449 /nfs/dbraw/zinc/72/84/49/388728449.db2.gz IZJIDVPMZNVZRZ-YRGRVCCFSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000226750932 388728504 /nfs/dbraw/zinc/72/85/04/388728504.db2.gz IZJIDVPMZNVZRZ-BZPMIXESSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000226767041 388728794 /nfs/dbraw/zinc/72/87/94/388728794.db2.gz PWNHGWCOWPRIAL-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000226767049 388729116 /nfs/dbraw/zinc/72/91/16/388729116.db2.gz PWNHGWCOWPRIAL-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000226773445 535297859 /nfs/dbraw/zinc/29/78/59/535297859.db2.gz DDBWVLUCVNXHHB-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000226773452 134369185 /nfs/dbraw/zinc/36/91/85/134369185.db2.gz DDBWVLUCVNXHHB-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000226773475 388730029 /nfs/dbraw/zinc/73/00/29/388730029.db2.gz BKFULTCYNFDMCO-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000226773480 388729893 /nfs/dbraw/zinc/72/98/93/388729893.db2.gz BKFULTCYNFDMCO-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000226773600 388729430 /nfs/dbraw/zinc/72/94/30/388729430.db2.gz WDJKCBXUIYUEID-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000226773604 388729381 /nfs/dbraw/zinc/72/93/81/388729381.db2.gz WDJKCBXUIYUEID-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000226773953 388729973 /nfs/dbraw/zinc/72/99/73/388729973.db2.gz OIUCUGVRVUGNMT-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000226773958 388729923 /nfs/dbraw/zinc/72/99/23/388729923.db2.gz OIUCUGVRVUGNMT-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000226773964 388729391 /nfs/dbraw/zinc/72/93/91/388729391.db2.gz AFZWIAVVGUCEOU-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000226773974 388729332 /nfs/dbraw/zinc/72/93/32/388729332.db2.gz AFZWIAVVGUCEOU-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC1 ZINC000226774206 535157984 /nfs/dbraw/zinc/15/79/84/535157984.db2.gz ZAMLKQSXKGXMQB-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3c2cccc3F)CCC1 ZINC000226774212 134368891 /nfs/dbraw/zinc/36/88/91/134368891.db2.gz ZAMLKQSXKGXMQB-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CC1(C)CCC1 ZINC000226774236 388729646 /nfs/dbraw/zinc/72/96/46/388729646.db2.gz XSQVQCTZFSBRMF-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CC1(C)CCC1 ZINC000226774243 388730085 /nfs/dbraw/zinc/73/00/85/388730085.db2.gz XSQVQCTZFSBRMF-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(F)c(F)c1 ZINC000226774376 388729736 /nfs/dbraw/zinc/72/97/36/388729736.db2.gz VPHYVEUVIXVIBV-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(F)c(F)c1 ZINC000226774382 388729661 /nfs/dbraw/zinc/72/96/61/388729661.db2.gz VPHYVEUVIXVIBV-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1c(F)cccc1F ZINC000226774615 259618449 /nfs/dbraw/zinc/61/84/49/259618449.db2.gz MFOGEYOQSZXXDE-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1c(F)cccc1F ZINC000226774625 388729370 /nfs/dbraw/zinc/72/93/70/388729370.db2.gz MFOGEYOQSZXXDE-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1F ZINC000226774764 388729560 /nfs/dbraw/zinc/72/95/60/388729560.db2.gz ZXJNWUOWMOLFBR-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1F ZINC000226774772 388729939 /nfs/dbraw/zinc/72/99/39/388729939.db2.gz ZXJNWUOWMOLFBR-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1F ZINC000226774783 388559634 /nfs/dbraw/zinc/55/96/34/388559634.db2.gz SVPZHCSGEBMEAX-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1F ZINC000226774792 388729324 /nfs/dbraw/zinc/72/93/24/388729324.db2.gz SVPZHCSGEBMEAX-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc(F)c1 ZINC000226774816 134369181 /nfs/dbraw/zinc/36/91/81/134369181.db2.gz SSMRUEOHJMJVBZ-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cccc(F)c1 ZINC000226774824 134368934 /nfs/dbraw/zinc/36/89/34/134368934.db2.gz SSMRUEOHJMJVBZ-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000226784469 388729911 /nfs/dbraw/zinc/72/99/11/388729911.db2.gz CYTQYYMVTSZYTI-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCC1(C[NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000226784513 388729444 /nfs/dbraw/zinc/72/94/44/388729444.db2.gz CCBRMTTWVISQIQ-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCC1(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000226784520 134369120 /nfs/dbraw/zinc/36/91/20/134369120.db2.gz KOOFWOHEHWGRCV-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCC1(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000226784631 168478463 /nfs/dbraw/zinc/47/84/63/168478463.db2.gz LQOBZLYYCNYXKK-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCc1ccc(C[NH2+]CC2(CC)CC2)s1 ZINC000226784694 343264663 /nfs/dbraw/zinc/26/46/63/343264663.db2.gz WNGURDYITZJDGN-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO CCC1(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000226785211 535294548 /nfs/dbraw/zinc/29/45/48/535294548.db2.gz TVEOHRADECSFHG-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000226785312 388730092 /nfs/dbraw/zinc/73/00/92/388730092.db2.gz FJXDZIJZUMXZCY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCC1(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000226785358 134368857 /nfs/dbraw/zinc/36/88/57/134368857.db2.gz IIDLXJMCVHZBBR-WCQYABFASA-N 1 0 233.355 3.683 20 0 BHADRO CCC1(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000226785364 134368865 /nfs/dbraw/zinc/36/88/65/134368865.db2.gz IIDLXJMCVHZBBR-AAEUAGOBSA-N 1 0 233.355 3.683 20 0 BHADRO CCC1(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000226785370 134368921 /nfs/dbraw/zinc/36/89/21/134368921.db2.gz IIDLXJMCVHZBBR-DGCLKSJQSA-N 1 0 233.355 3.683 20 0 BHADRO CCC1(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000226785375 134368862 /nfs/dbraw/zinc/36/88/62/134368862.db2.gz IIDLXJMCVHZBBR-YPMHNXCESA-N 1 0 233.355 3.683 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000226785701 259619008 /nfs/dbraw/zinc/61/90/08/259619008.db2.gz STYUGFDMQATKIN-AWEZNQCLSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000226785708 388729695 /nfs/dbraw/zinc/72/96/95/388729695.db2.gz STYUGFDMQATKIN-CQSZACIVSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C[NH2+]Cc2ccc3ccccc3n2)CCC1 ZINC000226786362 535153009 /nfs/dbraw/zinc/15/30/09/535153009.db2.gz JUEQMMPWDIOYSR-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000226786971 388729854 /nfs/dbraw/zinc/72/98/54/388729854.db2.gz YYLOFJXDSKJRIE-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CC1(C)CCC1 ZINC000226787053 259515455 /nfs/dbraw/zinc/51/54/55/259515455.db2.gz WSPSLPZDVPRWEV-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(C[NH2+]Cc2cc3ccccc3o2)CCC1 ZINC000226787064 535153038 /nfs/dbraw/zinc/15/30/38/535153038.db2.gz JRGVYFJTGZAXSQ-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC1(C[NH2+]Cc2ccc3ncccc3c2)CCC1 ZINC000226787215 168044515 /nfs/dbraw/zinc/04/45/15/168044515.db2.gz GNMZUOLWKANDLM-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C)CCC2)s1 ZINC000226787287 324809072 /nfs/dbraw/zinc/80/90/72/324809072.db2.gz ABDNZTSBATXROI-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO CC1(C[NH2+]Cc2cccc3cccnc32)CCC1 ZINC000226787869 168043302 /nfs/dbraw/zinc/04/33/02/168043302.db2.gz OIJYLVXDOOKMIU-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000226787991 388730122 /nfs/dbraw/zinc/73/01/22/388730122.db2.gz PQMVUAHFBFIHMO-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C)CCC2)o1 ZINC000226788044 134368835 /nfs/dbraw/zinc/36/88/35/134368835.db2.gz WBLXSZIQFLRCFI-YPMHNXCESA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C)CCC2)o1 ZINC000226788051 134369018 /nfs/dbraw/zinc/36/90/18/134369018.db2.gz WBLXSZIQFLRCFI-AAEUAGOBSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(C)CCC2)o1 ZINC000226788058 134368971 /nfs/dbraw/zinc/36/89/71/134368971.db2.gz WBLXSZIQFLRCFI-DGCLKSJQSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(C)CCC2)o1 ZINC000226788066 134369113 /nfs/dbraw/zinc/36/91/13/134369113.db2.gz WBLXSZIQFLRCFI-WCQYABFASA-N 1 0 233.355 3.683 20 0 BHADRO c1cnc2c(c1)CC[C@@H]2[NH2+]CCC1=CCCCC1 ZINC000226800328 635440446 /nfs/dbraw/zinc/44/04/46/635440446.db2.gz WNDPTNWXJCEIRY-HNNXBMFYSA-N 1 0 242.366 3.549 20 0 BHADRO c1cnc2c(c1)CC[C@H]2[NH2+]CCC1=CCCCC1 ZINC000226800334 640795855 /nfs/dbraw/zinc/79/58/55/640795855.db2.gz WNDPTNWXJCEIRY-OAHLLOKOSA-N 1 0 242.366 3.549 20 0 BHADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC)C12CCCCC2 ZINC000226802709 388730951 /nfs/dbraw/zinc/73/09/51/388730951.db2.gz VVWAXKYWFKVTAT-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC)C12CCCCC2 ZINC000226802717 388731096 /nfs/dbraw/zinc/73/10/96/388731096.db2.gz VVWAXKYWFKVTAT-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000226804334 640798720 /nfs/dbraw/zinc/79/87/20/640798720.db2.gz FZBPQAVNYXBUSE-TZMCWYRMSA-N 1 0 232.371 3.627 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000226804341 640797548 /nfs/dbraw/zinc/79/75/48/640797548.db2.gz FZBPQAVNYXBUSE-GXTWGEPZSA-N 1 0 232.371 3.627 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000226804348 640798125 /nfs/dbraw/zinc/79/81/25/640798125.db2.gz FZBPQAVNYXBUSE-OCCSQVGLSA-N 1 0 232.371 3.627 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000226804356 640798006 /nfs/dbraw/zinc/79/80/06/640798006.db2.gz FZBPQAVNYXBUSE-JSGCOSHPSA-N 1 0 232.371 3.627 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)C1CCCCC1 ZINC000226819022 640794023 /nfs/dbraw/zinc/79/40/23/640794023.db2.gz KDDIPJBJJDWSNR-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cccnc21)C1CCCCC1 ZINC000226819030 640795098 /nfs/dbraw/zinc/79/50/98/640795098.db2.gz KDDIPJBJJDWSNR-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cccnc21)C1CCCCC1 ZINC000226819035 640793749 /nfs/dbraw/zinc/79/37/49/640793749.db2.gz KDDIPJBJJDWSNR-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cccnc21)C1CCCCC1 ZINC000226819039 640794670 /nfs/dbraw/zinc/79/46/70/640794670.db2.gz KDDIPJBJJDWSNR-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000226821523 640793510 /nfs/dbraw/zinc/79/35/10/640793510.db2.gz IZHMLCXNLNZZJT-CQSZACIVSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000226821532 640796766 /nfs/dbraw/zinc/79/67/66/640796766.db2.gz IZHMLCXNLNZZJT-AWEZNQCLSA-N 1 0 244.382 3.627 20 0 BHADRO CCCc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000226822339 640796845 /nfs/dbraw/zinc/79/68/45/640796845.db2.gz QNZTWKGIZQKXEV-XJKSGUPXSA-N 1 0 246.398 3.534 20 0 BHADRO CCCc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000226822348 640796129 /nfs/dbraw/zinc/79/61/29/640796129.db2.gz QNZTWKGIZQKXEV-BBRMVZONSA-N 1 0 246.398 3.534 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226824491 640795845 /nfs/dbraw/zinc/79/58/45/640795845.db2.gz YPYASTSQWQBWFL-KGLIPLIRSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226824501 640795782 /nfs/dbraw/zinc/79/57/82/640795782.db2.gz YPYASTSQWQBWFL-ZIAGYGMSSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000226824508 640796217 /nfs/dbraw/zinc/79/62/17/640796217.db2.gz YPYASTSQWQBWFL-KBPBESRZSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000226824516 640795929 /nfs/dbraw/zinc/79/59/29/640795929.db2.gz YPYASTSQWQBWFL-UONOGXRCSA-N 1 0 244.382 3.627 20 0 BHADRO CCCc1ccccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226824971 491051751 /nfs/dbraw/zinc/05/17/51/491051751.db2.gz JPRBRKDVNAMFDI-DZGCQCFKSA-N 1 0 246.398 3.534 20 0 BHADRO CCCc1ccccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226824975 491051743 /nfs/dbraw/zinc/05/17/43/491051743.db2.gz JPRBRKDVNAMFDI-ZFWWWQNUSA-N 1 0 246.398 3.534 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226826061 640798010 /nfs/dbraw/zinc/79/80/10/640798010.db2.gz QXMHJIUXASDBRQ-ZIAGYGMSSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226826065 640797646 /nfs/dbraw/zinc/79/76/46/640797646.db2.gz QXMHJIUXASDBRQ-UONOGXRCSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000226826069 640798539 /nfs/dbraw/zinc/79/85/39/640798539.db2.gz QXMHJIUXASDBRQ-KGLIPLIRSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000226826075 640798128 /nfs/dbraw/zinc/79/81/28/640798128.db2.gz QXMHJIUXASDBRQ-KBPBESRZSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000226859276 388732768 /nfs/dbraw/zinc/73/27/68/388732768.db2.gz UDXFKBWQOKRQMQ-KFWWJZLASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000226859287 388732820 /nfs/dbraw/zinc/73/28/20/388732820.db2.gz UDXFKBWQOKRQMQ-RBSFLKMASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000226860531 259620593 /nfs/dbraw/zinc/62/05/93/259620593.db2.gz MXASHATYCZWRCM-KFWWJZLASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000226860537 388732577 /nfs/dbraw/zinc/73/25/77/388732577.db2.gz MXASHATYCZWRCM-RBSFLKMASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000226862118 388732881 /nfs/dbraw/zinc/73/28/81/388732881.db2.gz FBICWNWMRSQOIK-KFWWJZLASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000226862127 388732667 /nfs/dbraw/zinc/73/26/67/388732667.db2.gz FBICWNWMRSQOIK-RBSFLKMASA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226862150 388733034 /nfs/dbraw/zinc/73/30/34/388733034.db2.gz WNFUQHGNNFQHAE-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226862157 259620751 /nfs/dbraw/zinc/62/07/51/259620751.db2.gz WNFUQHGNNFQHAE-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000227000468 491053770 /nfs/dbraw/zinc/05/37/70/491053770.db2.gz UCZPARMLAFJKAR-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000227000479 491098343 /nfs/dbraw/zinc/09/83/43/491098343.db2.gz UCZPARMLAFJKAR-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000227012099 388737216 /nfs/dbraw/zinc/73/72/16/388737216.db2.gz IXICGONIMITANB-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000227012121 388736527 /nfs/dbraw/zinc/73/65/27/388736527.db2.gz IXICGONIMITANB-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000227012347 134373952 /nfs/dbraw/zinc/37/39/52/134373952.db2.gz UHFZTUBORZMNSL-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000227012379 134373886 /nfs/dbraw/zinc/37/38/86/134373886.db2.gz UHFZTUBORZMNSL-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000227016101 640808823 /nfs/dbraw/zinc/80/88/23/640808823.db2.gz AVJWDROXTIUZLY-LHXDFBSTSA-N 1 0 215.768 3.543 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC000227016124 640809504 /nfs/dbraw/zinc/80/95/04/640809504.db2.gz AVJWDROXTIUZLY-JZUADKBYSA-N 1 0 215.768 3.543 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000227019501 388736935 /nfs/dbraw/zinc/73/69/35/388736935.db2.gz AKQPGQHUJGQAIH-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000227019517 259623905 /nfs/dbraw/zinc/62/39/05/259623905.db2.gz AKQPGQHUJGQAIH-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(C)cc1 ZINC000227023330 134373564 /nfs/dbraw/zinc/37/35/64/134373564.db2.gz ZKFIPINERWXUFM-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(C)cc1 ZINC000227023344 535914316 /nfs/dbraw/zinc/91/43/16/535914316.db2.gz ZKFIPINERWXUFM-BMFZPTHFSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000227042484 388738917 /nfs/dbraw/zinc/73/89/17/388738917.db2.gz ROOCXDFXRGJGKL-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000227042497 388738623 /nfs/dbraw/zinc/73/86/23/388738623.db2.gz ROOCXDFXRGJGKL-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c(C)c1 ZINC000227045914 259624483 /nfs/dbraw/zinc/62/44/83/259624483.db2.gz UNXSKRQUOVPJGI-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c(C)c1 ZINC000227045925 388739114 /nfs/dbraw/zinc/73/91/14/388739114.db2.gz UNXSKRQUOVPJGI-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCCCO)c1 ZINC000227079949 640813411 /nfs/dbraw/zinc/81/34/11/640813411.db2.gz NGBLSHXRKJXFIF-OAHLLOKOSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCCCCCO)c1 ZINC000227079955 640813730 /nfs/dbraw/zinc/81/37/30/640813730.db2.gz NGBLSHXRKJXFIF-HNNXBMFYSA-N 1 0 249.398 3.507 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227093086 535935513 /nfs/dbraw/zinc/93/55/13/535935513.db2.gz IJZJWSIUMWBWCN-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227093099 134374795 /nfs/dbraw/zinc/37/47/95/134374795.db2.gz IJZJWSIUMWBWCN-WOPDTQHZSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)n1 ZINC000227104623 134373045 /nfs/dbraw/zinc/37/30/45/134373045.db2.gz VILOQEJGRNZLGO-ADEWGFFLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)n1 ZINC000227104640 134372851 /nfs/dbraw/zinc/37/28/51/134372851.db2.gz VILOQEJGRNZLGO-USWWRNFRSA-N 1 0 238.400 3.681 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)C(C)C ZINC000227107961 640815513 /nfs/dbraw/zinc/81/55/13/640815513.db2.gz FKGAVDHNZFMWGP-XHSDSOJGSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)C(C)C ZINC000227107966 640815686 /nfs/dbraw/zinc/81/56/86/640815686.db2.gz FKGAVDHNZFMWGP-OAGGEKHMSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000227116186 640815868 /nfs/dbraw/zinc/81/58/68/640815868.db2.gz ITGDSOWBILOGOI-SYQHCUMBSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000227116930 388740713 /nfs/dbraw/zinc/74/07/13/388740713.db2.gz HHBVCRNZTUZAEG-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000227116945 388740509 /nfs/dbraw/zinc/74/05/09/388740509.db2.gz HHBVCRNZTUZAEG-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000227116978 388741018 /nfs/dbraw/zinc/74/10/18/388741018.db2.gz PJDWRLWNEIQDDD-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000227116986 388740790 /nfs/dbraw/zinc/74/07/90/388740790.db2.gz PJDWRLWNEIQDDD-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000227120476 635447177 /nfs/dbraw/zinc/44/71/77/635447177.db2.gz MSGDWXYGVGMRHP-LBPRGKRZSA-N 1 0 244.382 3.940 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000227120480 640816340 /nfs/dbraw/zinc/81/63/40/640816340.db2.gz MSGDWXYGVGMRHP-GFCCVEGCSA-N 1 0 244.382 3.940 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000227126729 491055193 /nfs/dbraw/zinc/05/51/93/491055193.db2.gz VJYIBIZZZQVRBI-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO CCC1(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000227127464 491055191 /nfs/dbraw/zinc/05/51/91/491055191.db2.gz SJNPZHUIFYMXMH-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CC1(C[NH2+]Cc2ccccc2C2CC2)CCC1 ZINC000227127480 491055200 /nfs/dbraw/zinc/05/52/00/491055200.db2.gz NYINZRNHAYMMNP-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000227140330 388742390 /nfs/dbraw/zinc/74/23/90/388742390.db2.gz OFOQEDQMTCYVKK-RBSFLKMASA-N 1 0 221.388 3.901 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000227140339 388742444 /nfs/dbraw/zinc/74/24/44/388742444.db2.gz OFOQEDQMTCYVKK-KFWWJZLASA-N 1 0 221.388 3.901 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000227149588 388742517 /nfs/dbraw/zinc/74/25/17/388742517.db2.gz JAKFZRIAWVJGDE-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000227149596 259627950 /nfs/dbraw/zinc/62/79/50/259627950.db2.gz JAKFZRIAWVJGDE-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227188165 388743036 /nfs/dbraw/zinc/74/30/36/388743036.db2.gz HPSDXYDDFLYZEH-VNHYZAJKSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227188170 388743551 /nfs/dbraw/zinc/74/35/51/388743551.db2.gz HPSDXYDDFLYZEH-IPYPFGDCSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227188194 388743226 /nfs/dbraw/zinc/74/32/26/388743226.db2.gz TVFXHHXCDLOCNZ-IIAWOOMASA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227188200 388743132 /nfs/dbraw/zinc/74/31/32/388743132.db2.gz TVFXHHXCDLOCNZ-FMKPAKJESA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000227190032 491055767 /nfs/dbraw/zinc/05/57/67/491055767.db2.gz NQOYDIIZZJKOHN-CKYFFXLPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000227190038 491055740 /nfs/dbraw/zinc/05/57/40/491055740.db2.gz NQOYDIIZZJKOHN-FOGDFJRCSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000227190494 388742874 /nfs/dbraw/zinc/74/28/74/388742874.db2.gz LICGJCUMCLSXLM-CKYFFXLPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000227190499 388743636 /nfs/dbraw/zinc/74/36/36/388743636.db2.gz LICGJCUMCLSXLM-FOGDFJRCSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000227190507 259628503 /nfs/dbraw/zinc/62/85/03/259628503.db2.gz TYVPUOUKCKFHPB-CKYFFXLPSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000227190509 388742924 /nfs/dbraw/zinc/74/29/24/388742924.db2.gz TYVPUOUKCKFHPB-FOGDFJRCSA-N 1 0 239.309 3.804 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227191056 388743097 /nfs/dbraw/zinc/74/30/97/388743097.db2.gz NZDNBIVNVKAAOM-KWCYVHTRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227191070 388743026 /nfs/dbraw/zinc/74/30/26/388743026.db2.gz NZDNBIVNVKAAOM-XBFCOCLRSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1OC ZINC000227192145 640817990 /nfs/dbraw/zinc/81/79/90/640817990.db2.gz SVSWWWMVUQREBL-NFAWXSAZSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1OC ZINC000227192158 640817559 /nfs/dbraw/zinc/81/75/59/640817559.db2.gz SVSWWWMVUQREBL-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000227193586 535940509 /nfs/dbraw/zinc/94/05/09/535940509.db2.gz AMUNCUKQOHNKPN-XPKDYRNWSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000227193596 134375077 /nfs/dbraw/zinc/37/50/77/134375077.db2.gz AMUNCUKQOHNKPN-INWMFGNUSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000227194111 388743691 /nfs/dbraw/zinc/74/36/91/388743691.db2.gz XOYQJBNZISQTPM-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000227194125 388742851 /nfs/dbraw/zinc/74/28/51/388742851.db2.gz XOYQJBNZISQTPM-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000227195284 491055931 /nfs/dbraw/zinc/05/59/31/491055931.db2.gz UJJMCHSIABBAHW-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000227195300 491055947 /nfs/dbraw/zinc/05/59/47/491055947.db2.gz UJJMCHSIABBAHW-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000227198107 388744014 /nfs/dbraw/zinc/74/40/14/388744014.db2.gz QYVMAIRMMRIRGP-GMTAPVOTSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000227198119 388744049 /nfs/dbraw/zinc/74/40/49/388744049.db2.gz QYVMAIRMMRIRGP-MXWKQRLJSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227198492 388744152 /nfs/dbraw/zinc/74/41/52/388744152.db2.gz NSRWHYYGSVQOQL-IVMMDQJWSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227198512 259628447 /nfs/dbraw/zinc/62/84/47/259628447.db2.gz NSRWHYYGSVQOQL-INWMFGNUSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000227200015 640821165 /nfs/dbraw/zinc/82/11/65/640821165.db2.gz SBMLRASBLIVCKV-QLFBSQMISA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000227200029 640820572 /nfs/dbraw/zinc/82/05/72/640820572.db2.gz SBMLRASBLIVCKV-ILXRZTDVSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000227200097 640821249 /nfs/dbraw/zinc/82/12/49/640821249.db2.gz XPIFQIYENNSLLT-UBHAPETDSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000227200116 640820499 /nfs/dbraw/zinc/82/04/99/640820499.db2.gz XPIFQIYENNSLLT-QRTLGDNMSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000227200969 640821256 /nfs/dbraw/zinc/82/12/56/640821256.db2.gz NWBREKWPIYIVNP-ADEWGFFLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000227200980 640821272 /nfs/dbraw/zinc/82/12/72/640821272.db2.gz NWBREKWPIYIVNP-USWWRNFRSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccs1 ZINC000227201185 259628524 /nfs/dbraw/zinc/62/85/24/259628524.db2.gz VQPJXEHKAYTWQL-UTUOFQBUSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccs1 ZINC000227201201 259628103 /nfs/dbraw/zinc/62/81/03/259628103.db2.gz VQPJXEHKAYTWQL-WOPDTQHZSA-N 1 0 223.385 3.977 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c(C)o1 ZINC000227201825 134375914 /nfs/dbraw/zinc/37/59/14/134375914.db2.gz QFAGMLQSPGCKFF-SUZMYJTESA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c(C)o1 ZINC000227201838 134376089 /nfs/dbraw/zinc/37/60/89/134376089.db2.gz QFAGMLQSPGCKFF-CDMKHQONSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227202596 535940899 /nfs/dbraw/zinc/94/08/99/535940899.db2.gz IORGGSKZRMRAOD-YUELXQCFSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227202612 134375854 /nfs/dbraw/zinc/37/58/54/134375854.db2.gz IORGGSKZRMRAOD-SNPRPXQTSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000227203308 371801551 /nfs/dbraw/zinc/80/15/51/371801551.db2.gz PNGYFYYSWSLMMN-CKYFFXLPSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000227203312 134376151 /nfs/dbraw/zinc/37/61/51/134376151.db2.gz PNGYFYYSWSLMMN-FOGDFJRCSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227203451 388744317 /nfs/dbraw/zinc/74/43/17/388744317.db2.gz HAXNYHXOBSUNCV-IJEWVQPXSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227203461 388743954 /nfs/dbraw/zinc/74/39/54/388743954.db2.gz HAXNYHXOBSUNCV-YCPHGPKFSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227203510 388744074 /nfs/dbraw/zinc/74/40/74/388744074.db2.gz ULZDJXGYGNWKCR-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227203518 388743958 /nfs/dbraw/zinc/74/39/58/388743958.db2.gz ULZDJXGYGNWKCR-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000227205016 383917093 /nfs/dbraw/zinc/91/70/93/383917093.db2.gz XAZWCXDOPOMIFC-NTZNESFSSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000227205028 388744173 /nfs/dbraw/zinc/74/41/73/388744173.db2.gz XAZWCXDOPOMIFC-MDZLAQPJSA-N 1 0 237.412 3.766 20 0 BHADRO CCOc1cccc(C[NH2+]C(C)(CC)CC)c1 ZINC000227217645 388744020 /nfs/dbraw/zinc/74/40/20/388744020.db2.gz IYOXRAFPHPOQSH-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)ccc1OC ZINC000227217880 388744481 /nfs/dbraw/zinc/74/44/81/388744481.db2.gz LMIKOZPKFGWWOE-UHFFFAOYSA-N 1 0 235.371 3.672 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccnc2ccccc12 ZINC000227217908 371803609 /nfs/dbraw/zinc/80/36/09/371803609.db2.gz ZFNALFHPPPKMQU-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000227218071 388744502 /nfs/dbraw/zinc/74/45/02/388744502.db2.gz GNINOSHOCKNCBX-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO CCOc1ccc(C[NH2+]C(C)(CC)CC)cc1 ZINC000227218522 386469872 /nfs/dbraw/zinc/46/98/72/386469872.db2.gz WWONRKXTNIYZEK-UHFFFAOYSA-N 1 0 235.371 3.754 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000227218590 262710101 /nfs/dbraw/zinc/71/01/01/262710101.db2.gz ZFHHWHKMJFVTCU-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(CC)CC)s1 ZINC000227218609 388751148 /nfs/dbraw/zinc/75/11/48/388751148.db2.gz QWVFRVYYCYZYSV-UHFFFAOYSA-N 1 0 225.401 3.979 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2cc(C)ccc2C)CCC1 ZINC000227248362 388745344 /nfs/dbraw/zinc/74/53/44/388745344.db2.gz SGGULNZMPUNNBU-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO COC1(C[NH2+][C@H](C)c2cc(C)ccc2C)CCC1 ZINC000227248368 388745077 /nfs/dbraw/zinc/74/50/77/388745077.db2.gz SGGULNZMPUNNBU-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000227278134 388746805 /nfs/dbraw/zinc/74/68/05/388746805.db2.gz PAAPBBYKXRQDER-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000227278141 388746770 /nfs/dbraw/zinc/74/67/70/388746770.db2.gz PAAPBBYKXRQDER-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000227280516 388746608 /nfs/dbraw/zinc/74/66/08/388746608.db2.gz GWJJPLFLIRJOFN-SWLSCSKDSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000227280522 388747217 /nfs/dbraw/zinc/74/72/17/388747217.db2.gz GWJJPLFLIRJOFN-WFASDCNBSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000227280524 259630382 /nfs/dbraw/zinc/63/03/82/259630382.db2.gz GWJJPLFLIRJOFN-IUODEOHRSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000227280530 383980668 /nfs/dbraw/zinc/98/06/68/383980668.db2.gz GWJJPLFLIRJOFN-DOMZBBRYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CC2CCCCC2)c1 ZINC000227280743 259630062 /nfs/dbraw/zinc/63/00/62/259630062.db2.gz NPWAYJIUTUBEFJ-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cc(C)ccc2F)c1 ZINC000227282643 388746697 /nfs/dbraw/zinc/74/66/97/388746697.db2.gz RQDAOVVHVDNQFG-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCC2CCCC2)c1 ZINC000227282662 388746645 /nfs/dbraw/zinc/74/66/45/388746645.db2.gz JXJPHNBYJRSLBS-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCc2ccsc2)c1 ZINC000227282765 134379595 /nfs/dbraw/zinc/37/95/95/134379595.db2.gz DVFNZMSCYVHWNA-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000227282810 388746973 /nfs/dbraw/zinc/74/69/73/388746973.db2.gz KTNIWCRGXLJGMQ-BXUZGUMPSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000227282816 388746729 /nfs/dbraw/zinc/74/67/29/388746729.db2.gz KTNIWCRGXLJGMQ-RISCZKNCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000227282820 388747066 /nfs/dbraw/zinc/74/70/66/388747066.db2.gz KTNIWCRGXLJGMQ-SMDDNHRTSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000227282824 383983285 /nfs/dbraw/zinc/98/32/85/383983285.db2.gz KTNIWCRGXLJGMQ-FZMZJTMJSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cc(C)ccc1F ZINC000227285595 188253661 /nfs/dbraw/zinc/25/36/61/188253661.db2.gz URYWVQSFKQGJPJ-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000227285641 388746679 /nfs/dbraw/zinc/74/66/79/388746679.db2.gz OHCXQVSOUWGSGL-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000227285644 388747202 /nfs/dbraw/zinc/74/72/02/388747202.db2.gz OHCXQVSOUWGSGL-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2(C)CCCCC2)c1 ZINC000227286470 388746506 /nfs/dbraw/zinc/74/65/06/388746506.db2.gz KZWAONBNUOXHJC-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CC2(C)CCCC2)c1 ZINC000227287498 259630381 /nfs/dbraw/zinc/63/03/81/259630381.db2.gz BERLWPBFBNSYJC-UHFFFAOYSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000227288560 640824683 /nfs/dbraw/zinc/82/46/83/640824683.db2.gz YIYTXKVCFXLECK-GFCCVEGCSA-N 1 0 237.362 3.906 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000227288565 640825366 /nfs/dbraw/zinc/82/53/66/640825366.db2.gz YIYTXKVCFXLECK-LBPRGKRZSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccoc1 ZINC000227298043 324834127 /nfs/dbraw/zinc/83/41/27/324834127.db2.gz SGXILNDRBLAIOA-OWTLIXCDSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000227298909 324834458 /nfs/dbraw/zinc/83/44/58/324834458.db2.gz BCLNWGRDVWHIPJ-NQBHXWOUSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccoc1 ZINC000227298918 388755446 /nfs/dbraw/zinc/75/54/46/388755446.db2.gz BCLNWGRDVWHIPJ-WZRBSPASSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccoc1 ZINC000227303006 322910170 /nfs/dbraw/zinc/91/01/70/322910170.db2.gz LINQNZXSLVZTBQ-CZXHOFHRSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccoc1 ZINC000227303011 322910050 /nfs/dbraw/zinc/91/00/50/322910050.db2.gz LINQNZXSLVZTBQ-UHXUPSOCSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccoc1 ZINC000227303289 384327859 /nfs/dbraw/zinc/32/78/59/384327859.db2.gz LISNEOAMHLXLAQ-IJLUTSLNSA-N 1 0 221.344 3.755 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)C2CCCCCC2)c1 ZINC000227304830 358353481 /nfs/dbraw/zinc/35/34/81/358353481.db2.gz LRCUOAAYHBWWJG-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)C2CCCCCC2)c1 ZINC000227304841 358353140 /nfs/dbraw/zinc/35/31/40/358353140.db2.gz LRCUOAAYHBWWJG-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)cn1 ZINC000227308597 134377794 /nfs/dbraw/zinc/37/77/94/134377794.db2.gz IIZMQUQGKMRQQX-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@H]2CCCC(C)(C)C2)cn1 ZINC000227308611 134377529 /nfs/dbraw/zinc/37/75/29/134377529.db2.gz IIZMQUQGKMRQQX-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]1CC([NH2+][C@H]2CCC[C@@H](C)CC2)C[C@@H](C)O1 ZINC000227309870 491058117 /nfs/dbraw/zinc/05/81/17/491058117.db2.gz VJBRLYXIJMMKPX-SYQHCUMBSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000227310111 134377554 /nfs/dbraw/zinc/37/75/54/134377554.db2.gz ZDKSIUPSASUSED-DGCLKSJQSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000227310114 134377446 /nfs/dbraw/zinc/37/74/46/134377446.db2.gz ZDKSIUPSASUSED-YPMHNXCESA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000227310120 134377614 /nfs/dbraw/zinc/37/76/14/134377614.db2.gz ZDKSIUPSASUSED-WCQYABFASA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000227310127 134377808 /nfs/dbraw/zinc/37/78/08/134377808.db2.gz ZDKSIUPSASUSED-AAEUAGOBSA-N 1 0 221.344 3.646 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cncs1 ZINC000227310921 134377633 /nfs/dbraw/zinc/37/76/33/134377633.db2.gz MMDDVZLJFAFUAU-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cncs1 ZINC000227310931 134377767 /nfs/dbraw/zinc/37/77/67/134377767.db2.gz MMDDVZLJFAFUAU-GRYCIOLGSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cncs1 ZINC000227310939 134377759 /nfs/dbraw/zinc/37/77/59/134377759.db2.gz MMDDVZLJFAFUAU-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cncs1 ZINC000227310947 134377649 /nfs/dbraw/zinc/37/76/49/134377649.db2.gz MMDDVZLJFAFUAU-WOPDTQHZSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227310999 323099646 /nfs/dbraw/zinc/09/96/46/323099646.db2.gz FTUWVKLLSLFALJ-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311007 324835348 /nfs/dbraw/zinc/83/53/48/324835348.db2.gz FTUWVKLLSLFALJ-GRYCIOLGSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311015 324835228 /nfs/dbraw/zinc/83/52/28/324835228.db2.gz FTUWVKLLSLFALJ-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311022 388756632 /nfs/dbraw/zinc/75/66/32/388756632.db2.gz FTUWVKLLSLFALJ-WOPDTQHZSA-N 1 0 238.400 3.763 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000227311300 491058104 /nfs/dbraw/zinc/05/81/04/491058104.db2.gz XAWGSZYACKABJW-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000227311314 491058111 /nfs/dbraw/zinc/05/81/11/491058111.db2.gz XAWGSZYACKABJW-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000227311322 491058108 /nfs/dbraw/zinc/05/81/08/491058108.db2.gz MPLHODDPEXOEQG-OUAUKWLOSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000227311327 491058122 /nfs/dbraw/zinc/05/81/22/491058122.db2.gz MPLHODDPEXOEQG-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000227311334 491058113 /nfs/dbraw/zinc/05/81/13/491058113.db2.gz MPLHODDPEXOEQG-VWYCJHECSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000227311341 491058125 /nfs/dbraw/zinc/05/81/25/491058125.db2.gz MPLHODDPEXOEQG-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CC1 ZINC000227311523 259630996 /nfs/dbraw/zinc/63/09/96/259630996.db2.gz OFWCUCNTWQDMTM-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CC1 ZINC000227311544 388746817 /nfs/dbraw/zinc/74/68/17/388746817.db2.gz OFWCUCNTWQDMTM-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccoc1 ZINC000227311763 388757511 /nfs/dbraw/zinc/75/75/11/388757511.db2.gz SJOHECCWZBRICP-YRGRVCCFSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccoc1 ZINC000227311772 388757101 /nfs/dbraw/zinc/75/71/01/388757101.db2.gz SJOHECCWZBRICP-MBNYWOFBSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccoc1 ZINC000227311777 388757257 /nfs/dbraw/zinc/75/72/57/388757257.db2.gz SJOHECCWZBRICP-BZPMIXESSA-N 1 0 221.344 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccoc1 ZINC000227311784 324835125 /nfs/dbraw/zinc/83/51/25/324835125.db2.gz SJOHECCWZBRICP-DYEKYZERSA-N 1 0 221.344 3.899 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)CC2)cn1 ZINC000227312017 259630927 /nfs/dbraw/zinc/63/09/27/259630927.db2.gz IXOHZDJZROQCAE-VNHYZAJKSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)CC2)cn1 ZINC000227312029 388747052 /nfs/dbraw/zinc/74/70/52/388747052.db2.gz IXOHZDJZROQCAE-IPYPFGDCSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC1CCC([NH2+]CC2(OC)CCC2)CC1 ZINC000227325740 388747622 /nfs/dbraw/zinc/74/76/22/388747622.db2.gz LISHGSXBTPTDHS-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000227337810 134378278 /nfs/dbraw/zinc/37/82/78/134378278.db2.gz SCAILXGNXQZPMZ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000227337816 134377917 /nfs/dbraw/zinc/37/79/17/134377917.db2.gz SCAILXGNXQZPMZ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000227338612 134377907 /nfs/dbraw/zinc/37/79/07/134377907.db2.gz HVJADUBXVORUBU-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000227338619 535822104 /nfs/dbraw/zinc/82/21/04/535822104.db2.gz HVJADUBXVORUBU-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO C(C[C@@H]1CCCCO1)[NH2+]CC1CCCCCC1 ZINC000227338631 134377876 /nfs/dbraw/zinc/37/78/76/134377876.db2.gz XSWXTYLWCQYBIZ-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[C@H]1CCCCO1)[NH2+]CC1CCCCCC1 ZINC000227338635 134378014 /nfs/dbraw/zinc/37/80/14/134378014.db2.gz XSWXTYLWCQYBIZ-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CCC1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000227339726 134377833 /nfs/dbraw/zinc/37/78/33/134377833.db2.gz KRZRWDCDLQPUTR-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000227339734 134378284 /nfs/dbraw/zinc/37/82/84/134378284.db2.gz KRZRWDCDLQPUTR-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000227349246 388749121 /nfs/dbraw/zinc/74/91/21/388749121.db2.gz PNMYODZYWNTGEO-ZDUSSCGKSA-N 1 0 203.329 3.612 20 0 BHADRO c1ccc2c(c1)CC(C[NH2+]C1CCCCCC1)C2 ZINC000227371943 388750227 /nfs/dbraw/zinc/75/02/27/388750227.db2.gz NPUNWVWMLDVNRO-UHFFFAOYSA-N 1 0 243.394 3.714 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000227375471 388750069 /nfs/dbraw/zinc/75/00/69/388750069.db2.gz UIMPOWDCZBVDEY-HUUCEWRRSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000227375475 388749857 /nfs/dbraw/zinc/74/98/57/388749857.db2.gz UIMPOWDCZBVDEY-CABCVRRESA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000227375480 388750329 /nfs/dbraw/zinc/75/03/29/388750329.db2.gz UIMPOWDCZBVDEY-LSDHHAIUSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000227375485 388750263 /nfs/dbraw/zinc/75/02/63/388750263.db2.gz UIMPOWDCZBVDEY-GJZGRUSLSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000227376620 388750254 /nfs/dbraw/zinc/75/02/54/388750254.db2.gz NATROTLPHRMJSX-HUUCEWRRSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000227376625 259631978 /nfs/dbraw/zinc/63/19/78/259631978.db2.gz NATROTLPHRMJSX-CABCVRRESA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000227376630 388750390 /nfs/dbraw/zinc/75/03/90/388750390.db2.gz NATROTLPHRMJSX-LSDHHAIUSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000227376636 259631870 /nfs/dbraw/zinc/63/18/70/259631870.db2.gz NATROTLPHRMJSX-GJZGRUSLSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000227378555 388750053 /nfs/dbraw/zinc/75/00/53/388750053.db2.gz ALRPTWCWAJAEOE-HUUCEWRRSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000227378563 388750056 /nfs/dbraw/zinc/75/00/56/388750056.db2.gz ALRPTWCWAJAEOE-CABCVRRESA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000227378569 259631901 /nfs/dbraw/zinc/63/19/01/259631901.db2.gz ALRPTWCWAJAEOE-LSDHHAIUSA-N 1 0 249.423 3.759 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000227378574 342746553 /nfs/dbraw/zinc/74/65/53/342746553.db2.gz ALRPTWCWAJAEOE-GJZGRUSLSA-N 1 0 249.423 3.759 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@]1(C)CCCS1 ZINC000227385869 388750588 /nfs/dbraw/zinc/75/05/88/388750588.db2.gz CAGOILKSSNPJQX-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C[C@@H]1C ZINC000227386362 388750669 /nfs/dbraw/zinc/75/06/69/388750669.db2.gz FXWHTZUQIRQBFT-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000227388208 388750461 /nfs/dbraw/zinc/75/04/61/388750461.db2.gz ZQFZVWBPRBZTPY-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000227388221 259631964 /nfs/dbraw/zinc/63/19/64/259631964.db2.gz ZQFZVWBPRBZTPY-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H]1C ZINC000227389017 259631957 /nfs/dbraw/zinc/63/19/57/259631957.db2.gz XZLVPYSHRUXOLG-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1CC([NH2+]C[C@@]2(C)CCCS2)C[C@H](C)C1 ZINC000227389602 388750537 /nfs/dbraw/zinc/75/05/37/388750537.db2.gz FRAOHCOOPWSAEO-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000227389642 388750607 /nfs/dbraw/zinc/75/06/07/388750607.db2.gz DVYLKRAMHRZGJZ-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)c1cn[nH]c1 ZINC000227491126 134381193 /nfs/dbraw/zinc/38/11/93/134381193.db2.gz GLSANTCIVNEJNH-LLVKDONJSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)c1cn[nH]c1 ZINC000227491134 134381416 /nfs/dbraw/zinc/38/14/16/134381416.db2.gz GLSANTCIVNEJNH-NSHDSACASA-N 1 0 249.402 3.665 20 0 BHADRO COC1(C[NH2+]C(CC(C)C)CC(C)C)CCC1 ZINC000227494160 388751938 /nfs/dbraw/zinc/75/19/38/388751938.db2.gz KINJSHBQYSVUSY-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000227495822 259632371 /nfs/dbraw/zinc/63/23/71/259632371.db2.gz FLXGGBXUEMHQOF-SNPRPXQTSA-N 1 0 234.387 3.565 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000227495830 388752362 /nfs/dbraw/zinc/75/23/62/388752362.db2.gz FLXGGBXUEMHQOF-YUELXQCFSA-N 1 0 234.387 3.565 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)CS1 ZINC000227502901 388752537 /nfs/dbraw/zinc/75/25/37/388752537.db2.gz HZLDNRIAKQORAA-BYCMXARLSA-N 1 0 247.407 3.621 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)CS1 ZINC000227502911 388752515 /nfs/dbraw/zinc/75/25/15/388752515.db2.gz HZLDNRIAKQORAA-KCPJHIHWSA-N 1 0 247.407 3.621 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000227503285 388752093 /nfs/dbraw/zinc/75/20/93/388752093.db2.gz MGHJWXWEHAOZDM-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000227503293 259632406 /nfs/dbraw/zinc/63/24/06/259632406.db2.gz MGHJWXWEHAOZDM-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000227503667 358359413 /nfs/dbraw/zinc/35/94/13/358359413.db2.gz DVJZDDZNXKCZIQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000227503670 358359395 /nfs/dbraw/zinc/35/93/95/358359395.db2.gz DVJZDDZNXKCZIQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000227503672 358359760 /nfs/dbraw/zinc/35/97/60/358359760.db2.gz DVJZDDZNXKCZIQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000227503676 358359536 /nfs/dbraw/zinc/35/95/36/358359536.db2.gz DVJZDDZNXKCZIQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C(C[C@@H]1CCCCO1)[NH2+]C1CCCCCCC1 ZINC000227503694 640836816 /nfs/dbraw/zinc/83/68/16/640836816.db2.gz FTYBTNRBZUMDHQ-HNNXBMFYSA-N 1 0 239.403 3.648 20 0 BHADRO C(C[C@H]1CCCCO1)[NH2+]C1CCCCCCC1 ZINC000227503697 640836671 /nfs/dbraw/zinc/83/66/71/640836671.db2.gz FTYBTNRBZUMDHQ-OAHLLOKOSA-N 1 0 239.403 3.648 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000227505354 640836676 /nfs/dbraw/zinc/83/66/76/640836676.db2.gz GIUQYSPRKRQONE-CABCVRRESA-N 1 0 241.419 3.894 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000227505361 640836719 /nfs/dbraw/zinc/83/67/19/640836719.db2.gz GIUQYSPRKRQONE-GJZGRUSLSA-N 1 0 241.419 3.894 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000227505372 640836749 /nfs/dbraw/zinc/83/67/49/640836749.db2.gz GIUQYSPRKRQONE-HUUCEWRRSA-N 1 0 241.419 3.894 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000227505379 640836114 /nfs/dbraw/zinc/83/61/14/640836114.db2.gz GIUQYSPRKRQONE-LSDHHAIUSA-N 1 0 241.419 3.894 20 0 BHADRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCCC1 ZINC000227515913 259632496 /nfs/dbraw/zinc/63/24/96/259632496.db2.gz VRKQBEATPVNFDT-UHFFFAOYSA-N 1 0 242.366 3.519 20 0 BHADRO CCC(CC)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000227515918 388752568 /nfs/dbraw/zinc/75/25/68/388752568.db2.gz DPEZOEDXYJIELA-UHFFFAOYSA-N 1 0 244.382 3.765 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000227516101 259302112 /nfs/dbraw/zinc/30/21/12/259302112.db2.gz QLEWSPHZEPUWOS-GFCCVEGCSA-N 1 0 244.382 3.765 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000227516112 388751915 /nfs/dbraw/zinc/75/19/15/388751915.db2.gz QLEWSPHZEPUWOS-LBPRGKRZSA-N 1 0 244.382 3.765 20 0 BHADRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)C(C)C ZINC000227519558 388752211 /nfs/dbraw/zinc/75/22/11/388752211.db2.gz BBQCDYFVGKTNPU-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)C(C)C ZINC000227519565 388751945 /nfs/dbraw/zinc/75/19/45/388751945.db2.gz BBQCDYFVGKTNPU-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)C ZINC000227525745 388751982 /nfs/dbraw/zinc/75/19/82/388751982.db2.gz KMXSSCOBOUVOJG-UHFFFAOYSA-N 1 0 244.382 3.622 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000227527576 388752040 /nfs/dbraw/zinc/75/20/40/388752040.db2.gz DHZUPAHFKPEIFH-GFCCVEGCSA-N 1 0 244.382 3.622 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000227527584 259632483 /nfs/dbraw/zinc/63/24/83/259632483.db2.gz DHZUPAHFKPEIFH-LBPRGKRZSA-N 1 0 244.382 3.622 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccs1 ZINC000227529424 640837706 /nfs/dbraw/zinc/83/77/06/640837706.db2.gz CQPWHEHOBICIGD-NSHDSACASA-N 1 0 249.354 3.608 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccs1 ZINC000227529429 640837780 /nfs/dbraw/zinc/83/77/80/640837780.db2.gz CQPWHEHOBICIGD-LLVKDONJSA-N 1 0 249.354 3.608 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227535210 134382900 /nfs/dbraw/zinc/38/29/00/134382900.db2.gz KSCDJGWRTKJQPK-APHBMKBZSA-N 1 0 246.398 3.546 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227535217 134382707 /nfs/dbraw/zinc/38/27/07/134382707.db2.gz KSCDJGWRTKJQPK-MAZHCROVSA-N 1 0 246.398 3.546 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000227541014 491063123 /nfs/dbraw/zinc/06/31/23/491063123.db2.gz VDCSCWMGJKYNHM-HUUCEWRRSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000227541019 491062825 /nfs/dbraw/zinc/06/28/25/491062825.db2.gz VDCSCWMGJKYNHM-LSDHHAIUSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000227541025 491062795 /nfs/dbraw/zinc/06/27/95/491062795.db2.gz VDCSCWMGJKYNHM-CABCVRRESA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000227541030 491062819 /nfs/dbraw/zinc/06/28/19/491062819.db2.gz VDCSCWMGJKYNHM-GJZGRUSLSA-N 1 0 247.382 3.697 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000227542999 371889401 /nfs/dbraw/zinc/88/94/01/371889401.db2.gz HYIYFTUJNVOAMD-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000227543004 371889525 /nfs/dbraw/zinc/88/95/25/371889525.db2.gz HYIYFTUJNVOAMD-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000227543008 371889366 /nfs/dbraw/zinc/88/93/66/371889366.db2.gz HYIYFTUJNVOAMD-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000227543013 371889473 /nfs/dbraw/zinc/88/94/73/371889473.db2.gz HYIYFTUJNVOAMD-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000227554985 388754193 /nfs/dbraw/zinc/75/41/93/388754193.db2.gz IGIMSCYOACPBFV-MGPQQGTHSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000227554990 259633032 /nfs/dbraw/zinc/63/30/32/259633032.db2.gz IGIMSCYOACPBFV-MCIONIFRSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227557602 388753433 /nfs/dbraw/zinc/75/34/33/388753433.db2.gz OYCZZAKTGLZMTM-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227557611 388754140 /nfs/dbraw/zinc/75/41/40/388754140.db2.gz OYCZZAKTGLZMTM-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CCSCC[N@H+](CC(C)C)C1CCCC1 ZINC000227564466 388754070 /nfs/dbraw/zinc/75/40/70/388754070.db2.gz CTLVBFQOXOTRHS-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cc1F ZINC000227567504 388753555 /nfs/dbraw/zinc/75/35/55/388753555.db2.gz ZXAGWCAUQKSSQH-SCDSUCTJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cc1F ZINC000227567515 388754030 /nfs/dbraw/zinc/75/40/30/388754030.db2.gz ZXAGWCAUQKSSQH-OSMZGAPFSA-N 1 0 235.346 3.973 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227575515 134385999 /nfs/dbraw/zinc/38/59/99/134385999.db2.gz ZWZBJCSZEYHBCI-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227575521 134386124 /nfs/dbraw/zinc/38/61/24/134386124.db2.gz ZWZBJCSZEYHBCI-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC=CCC2)C1 ZINC000227577569 388753335 /nfs/dbraw/zinc/75/33/35/388753335.db2.gz LHPJRVZQORRDAF-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC=CCC2)C1 ZINC000227577581 386493383 /nfs/dbraw/zinc/49/33/83/386493383.db2.gz LHPJRVZQORRDAF-HZSPNIEDSA-N 1 0 207.361 3.511 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2csc(C)n2)CCC1 ZINC000227591166 535296894 /nfs/dbraw/zinc/29/68/94/535296894.db2.gz VVZFPLPAXBAFLM-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2csc(C)n2)CCC1 ZINC000227591169 134385424 /nfs/dbraw/zinc/38/54/24/134385424.db2.gz VVZFPLPAXBAFLM-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO CC1(C[NH2+]Cc2cncc3ccccc32)CCC1 ZINC000227598621 640842255 /nfs/dbraw/zinc/84/22/55/640842255.db2.gz AAHPAGYALINMNH-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)([NH2+]CC1CCCCC1)c1nccs1 ZINC000227633951 134389141 /nfs/dbraw/zinc/38/91/41/134389141.db2.gz JFJQFXGOMMIELR-UHFFFAOYSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000227698869 388754729 /nfs/dbraw/zinc/75/47/29/388754729.db2.gz ZIGAPCZQPRLMFZ-BFHYXJOUSA-N 1 0 209.377 3.757 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000227698875 388754465 /nfs/dbraw/zinc/75/44/65/388754465.db2.gz ZIGAPCZQPRLMFZ-MELADBBJSA-N 1 0 209.377 3.757 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000227699788 388754408 /nfs/dbraw/zinc/75/44/08/388754408.db2.gz YLZGMBPJFWCPON-BYNSBNAKSA-N 1 0 241.419 3.604 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709818 388756046 /nfs/dbraw/zinc/75/60/46/388756046.db2.gz UPLJUCCXEBIWHZ-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000227709831 388756115 /nfs/dbraw/zinc/75/61/15/388756115.db2.gz UPLJUCCXEBIWHZ-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709875 711832627 /nfs/dbraw/zinc/83/26/27/711832627.db2.gz YUDAPLCANPQZMX-MROQNXINSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000227710271 711832601 /nfs/dbraw/zinc/83/26/01/711832601.db2.gz CJKDJGOIBLGCIB-MBJXGIAVSA-N 1 0 241.444 3.685 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227710395 711832592 /nfs/dbraw/zinc/83/25/92/711832592.db2.gz JGHLDGJGYPTTLX-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000227710403 711832606 /nfs/dbraw/zinc/83/26/06/711832606.db2.gz JGHLDGJGYPTTLX-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C=CCCC2)[C@@H]1C ZINC000227710865 388756642 /nfs/dbraw/zinc/75/66/42/388756642.db2.gz CZJKXPSMFQTFKE-SYQHCUMBSA-N 1 0 207.361 3.509 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227711125 388756516 /nfs/dbraw/zinc/75/65/16/388756516.db2.gz DQLGNZILJTVFQD-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000227727624 388756453 /nfs/dbraw/zinc/75/64/53/388756453.db2.gz QXYPNNISSRTDTM-KKOKHZNYSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000227761704 134393186 /nfs/dbraw/zinc/39/31/86/134393186.db2.gz KRWXEQXDBJCNDW-GFCCVEGCSA-N 1 0 229.323 3.569 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000227761708 134392893 /nfs/dbraw/zinc/39/28/93/134392893.db2.gz KRWXEQXDBJCNDW-LBPRGKRZSA-N 1 0 229.323 3.569 20 0 BHADRO CC(C)([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000227762217 491064736 /nfs/dbraw/zinc/06/47/36/491064736.db2.gz HOVPGKSRAXLWDZ-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(COC)cc2)CCC1 ZINC000227762467 134392904 /nfs/dbraw/zinc/39/29/04/134392904.db2.gz RJEXFLIMZNGXKS-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CCC1(C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000227762486 259633789 /nfs/dbraw/zinc/63/37/89/259633789.db2.gz BFAWNUBMUGADKL-UXBLZVDNSA-N 1 0 229.367 3.870 20 0 BHADRO CCC1(C[NH2+]Cc2c(F)cccc2F)CCC1 ZINC000227762530 134392935 /nfs/dbraw/zinc/39/29/35/134392935.db2.gz KYRLNJXJBCGEJK-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000227762571 535295634 /nfs/dbraw/zinc/29/56/34/535295634.db2.gz VDMQOHUFEPFKGF-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC1(C[NH2+]Cc2coc3ccccc23)CCC1 ZINC000227762580 535154164 /nfs/dbraw/zinc/15/41/64/535154164.db2.gz RUPUZTBPAYUTKT-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC(C)C1(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000227762636 134392884 /nfs/dbraw/zinc/39/28/84/134392884.db2.gz CABADWFYEYFOPC-UHFFFAOYSA-N 1 0 243.350 3.959 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC000227762640 134392970 /nfs/dbraw/zinc/39/29/70/134392970.db2.gz LYIRTJQKWCXRHT-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(C[NH2+]Cc2cccc3[nH]ccc32)CCC1 ZINC000227762668 535295186 /nfs/dbraw/zinc/29/51/86/535295186.db2.gz MMAQJLNJHPQMBB-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(F)c2F)CCC1 ZINC000227762790 323075780 /nfs/dbraw/zinc/07/57/80/323075780.db2.gz AKTHDQTURMIUFE-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(C[NH2+]Cc2cccc(COC)c2)CCC1 ZINC000227763158 535295624 /nfs/dbraw/zinc/29/56/24/535295624.db2.gz HLYSJUIQWXYRDA-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CCC1(C[NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000227763275 134393233 /nfs/dbraw/zinc/39/32/33/134393233.db2.gz MOYJDIAFMOHEBV-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC000227763284 323075773 /nfs/dbraw/zinc/07/57/73/323075773.db2.gz FHNBNSYNXITGTA-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(C[NH2+]Cc2cccc3cc[nH]c32)CCC1 ZINC000227763359 535294990 /nfs/dbraw/zinc/29/49/90/535294990.db2.gz WAAYSMYLLORPDZ-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1 ZINC000227771522 640848388 /nfs/dbraw/zinc/84/83/88/640848388.db2.gz UKLQEAJORYBYIW-VCFDLTMXSA-N 1 0 223.747 3.652 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1 ZINC000227771527 640848000 /nfs/dbraw/zinc/84/80/00/640848000.db2.gz UKLQEAJORYBYIW-VKJYCEFSSA-N 1 0 223.747 3.652 20 0 BHADRO CC(C)c1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC000227772104 640848071 /nfs/dbraw/zinc/84/80/71/640848071.db2.gz BKWWEGBAMXRTDV-FPYGCLRLSA-N 1 0 223.747 3.652 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000227780389 640848063 /nfs/dbraw/zinc/84/80/63/640848063.db2.gz ASHQKCMKWWONRB-AVGNSLFASA-N 1 0 227.392 3.501 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000227783495 640848187 /nfs/dbraw/zinc/84/81/87/640848187.db2.gz QSFHSANDXXUDBB-IHRRRGAJSA-N 1 0 241.419 3.891 20 0 BHADRO C[C@@H]1CC([NH2+][C@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000227783957 358363204 /nfs/dbraw/zinc/36/32/04/358363204.db2.gz GFLUSEGLQDLAKW-BZPMIXESSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000227785184 134394507 /nfs/dbraw/zinc/39/45/07/134394507.db2.gz FABARSIVWGEFGH-XEZPLFJOSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]1CC([NH2+][C@@H]2CCCCC[C@@H]2C)C[C@@H](C)O1 ZINC000227785363 491065490 /nfs/dbraw/zinc/06/54/90/491065490.db2.gz KOKAOCBINYVRCG-KYEXWDHISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CC([NH2+][C@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000227786984 323075908 /nfs/dbraw/zinc/07/59/08/323075908.db2.gz XTMVNNZJFWJKQU-UPJWGTAASA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1ccccc1 ZINC000227789898 134395043 /nfs/dbraw/zinc/39/50/43/134395043.db2.gz DTDRXPICNIBNMN-RRFJBIMHSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1ccccc1 ZINC000227789907 134395017 /nfs/dbraw/zinc/39/50/17/134395017.db2.gz DTDRXPICNIBNMN-SOUVJXGZSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000227790961 386514542 /nfs/dbraw/zinc/51/45/42/386514542.db2.gz POHAHPNOECYMSQ-LBPRGKRZSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000227790965 388757643 /nfs/dbraw/zinc/75/76/43/388757643.db2.gz POHAHPNOECYMSQ-GFCCVEGCSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000227791090 259633777 /nfs/dbraw/zinc/63/37/77/259633777.db2.gz DQFPXPULOCRZIK-LBPRGKRZSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000227791095 388758581 /nfs/dbraw/zinc/75/85/81/388758581.db2.gz DQFPXPULOCRZIK-GFCCVEGCSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000227791114 388758459 /nfs/dbraw/zinc/75/84/59/388758459.db2.gz SITOFBFRUMUYBH-OAHLLOKOSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000227791118 388758264 /nfs/dbraw/zinc/75/82/64/388758264.db2.gz SITOFBFRUMUYBH-HNNXBMFYSA-N 1 0 247.357 3.839 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccccc1 ZINC000227791419 387057590 /nfs/dbraw/zinc/05/75/90/387057590.db2.gz VJDRUUVXZXCKIN-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccccc1 ZINC000227791426 387057970 /nfs/dbraw/zinc/05/79/70/387057970.db2.gz VJDRUUVXZXCKIN-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000227792228 388758621 /nfs/dbraw/zinc/75/86/21/388758621.db2.gz TXTZFAPVNLTKKQ-WNTKCETOSA-N 1 0 229.367 3.868 20 0 BHADRO CCOc1cccc(C[NH2+]CC2(C(C)C)CC2)c1 ZINC000227832324 535456524 /nfs/dbraw/zinc/45/65/24/535456524.db2.gz GXLMTLNHLKRVAZ-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CSc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1 ZINC000227832582 388759395 /nfs/dbraw/zinc/75/93/95/388759395.db2.gz JQMQVZWNDWEMMG-UHFFFAOYSA-N 1 0 249.423 3.934 20 0 BHADRO CCOc1ccccc1C[NH2+]CC1(C(C)C)CC1 ZINC000227832612 385250717 /nfs/dbraw/zinc/25/07/17/385250717.db2.gz XXYRVBGJLJHRBA-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CCOc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1 ZINC000227832623 388759959 /nfs/dbraw/zinc/75/99/59/388759959.db2.gz DOEGBBDCFDZQCN-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CC1(C(C)C)CC1 ZINC000227832679 388759510 /nfs/dbraw/zinc/75/95/10/388759510.db2.gz JNSDQYJNPQABBJ-UHFFFAOYSA-N 1 0 247.382 3.529 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000227832941 134390552 /nfs/dbraw/zinc/39/05/52/134390552.db2.gz HDHUZCFATSFKHE-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000227833483 259634118 /nfs/dbraw/zinc/63/41/18/259634118.db2.gz LLOKDTQWOYBYCG-UHFFFAOYSA-N 1 0 243.350 3.959 20 0 BHADRO CC(C)C1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000227833512 388759653 /nfs/dbraw/zinc/75/96/53/388759653.db2.gz SMBGOHXVQPZFBJ-RMKNXTFCSA-N 1 0 229.367 3.726 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227865842 491066188 /nfs/dbraw/zinc/06/61/88/491066188.db2.gz GPCYZWGXGRVZPG-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227865852 491066175 /nfs/dbraw/zinc/06/61/75/491066175.db2.gz GPCYZWGXGRVZPG-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227869206 640852444 /nfs/dbraw/zinc/85/24/44/640852444.db2.gz CQJMZDFRLWNMJH-BPLDGKMQSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227869224 640852653 /nfs/dbraw/zinc/85/26/53/640852653.db2.gz CQJMZDFRLWNMJH-YUELXQCFSA-N 1 0 247.382 3.769 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872838 259633856 /nfs/dbraw/zinc/63/38/56/259633856.db2.gz FGEJKWQIRRLPBT-IACUBPJLSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872845 388761292 /nfs/dbraw/zinc/76/12/92/388761292.db2.gz FGEJKWQIRRLPBT-YUTCNCBUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227873258 388761919 /nfs/dbraw/zinc/76/19/19/388761919.db2.gz ADONROYCQOAKGE-KCPJHIHWSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227873269 388761357 /nfs/dbraw/zinc/76/13/57/388761357.db2.gz ADONROYCQOAKGE-DFBGVHRSSA-N 1 0 221.388 3.733 20 0 BHADRO C(CC1CC1)[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227874864 640852621 /nfs/dbraw/zinc/85/26/21/640852621.db2.gz DBSBPCQLJQQWOD-KFWWJZLASA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]([NH2+]CC(F)(F)c1ccccc1)C(C)C ZINC000227900214 388761091 /nfs/dbraw/zinc/76/10/91/388761091.db2.gz FAPOEDTXNWVHDJ-CYBMUJFWSA-N 1 0 241.325 3.803 20 0 BHADRO CC[C@H]([NH2+]CC(F)(F)c1ccccc1)C(C)C ZINC000227900220 388761704 /nfs/dbraw/zinc/76/17/04/388761704.db2.gz FAPOEDTXNWVHDJ-ZDUSSCGKSA-N 1 0 241.325 3.803 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCC1 ZINC000227935588 388762923 /nfs/dbraw/zinc/76/29/23/388762923.db2.gz UEEONQGYDPMMCJ-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cccc(C)c2)CCC1 ZINC000227935595 388762583 /nfs/dbraw/zinc/76/25/83/388762583.db2.gz UEEONQGYDPMMCJ-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000227936368 388762837 /nfs/dbraw/zinc/76/28/37/388762837.db2.gz GJFQSJCGEKAZPE-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000227936379 388762604 /nfs/dbraw/zinc/76/26/04/388762604.db2.gz GJFQSJCGEKAZPE-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCC(C)(C)C2)CCC1 ZINC000227944565 386523456 /nfs/dbraw/zinc/52/34/56/386523456.db2.gz VPAPVUVIIHZTJW-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCC(C)(C)C2)CCC1 ZINC000227944575 388762601 /nfs/dbraw/zinc/76/26/01/388762601.db2.gz VPAPVUVIIHZTJW-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC1 ZINC000227945084 388763190 /nfs/dbraw/zinc/76/31/90/388763190.db2.gz VTJKRUHQAXZKIH-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CCC1 ZINC000227945095 259634802 /nfs/dbraw/zinc/63/48/02/259634802.db2.gz VTJKRUHQAXZKIH-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]Cc2ccc(C)c(C)c2)CCC1 ZINC000227945145 259634576 /nfs/dbraw/zinc/63/45/76/259634576.db2.gz PACZGTZPCKNMKV-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CSC1(C[NH2+]Cc2cc(C)cc(C)c2)CCC1 ZINC000227945302 259634741 /nfs/dbraw/zinc/63/47/41/259634741.db2.gz GGIYCQONQLZVDO-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000227945529 259634809 /nfs/dbraw/zinc/63/48/09/259634809.db2.gz UFFJZLNBTSPJQC-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000227945536 259634747 /nfs/dbraw/zinc/63/47/47/259634747.db2.gz UFFJZLNBTSPJQC-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000227945546 259634724 /nfs/dbraw/zinc/63/47/24/259634724.db2.gz UFFJZLNBTSPJQC-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000227945555 388762851 /nfs/dbraw/zinc/76/28/51/388762851.db2.gz UFFJZLNBTSPJQC-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000227945678 388762875 /nfs/dbraw/zinc/76/28/75/388762875.db2.gz CZQWBRHGKCDMRG-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000227945684 259634580 /nfs/dbraw/zinc/63/45/80/259634580.db2.gz CZQWBRHGKCDMRG-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1CCC([NH2+]CC2(SC)CCC2)CC1 ZINC000227945874 259634511 /nfs/dbraw/zinc/63/45/11/259634511.db2.gz UTJRCJJDDWGUHK-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+]Cc2c(C)cccc2C)CCC1 ZINC000227945949 388762880 /nfs/dbraw/zinc/76/28/80/388762880.db2.gz BZYQTEJPYVYDSB-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CSC1(C[NH2+]CC2CCC(C)CC2)CCC1 ZINC000227946023 134399637 /nfs/dbraw/zinc/39/96/37/134399637.db2.gz KBUZFEQQYGQWME-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCc1ccc(C[NH2+]CC2(SC)CCC2)cc1 ZINC000227946186 259634806 /nfs/dbraw/zinc/63/48/06/259634806.db2.gz IZKZMXZVFSFYES-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC000227946928 134399960 /nfs/dbraw/zinc/39/99/60/134399960.db2.gz OGGLCIJWRIAIEC-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCC[C@@H](C)C2)CCC1 ZINC000227946936 134399470 /nfs/dbraw/zinc/39/94/70/134399470.db2.gz OGGLCIJWRIAIEC-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@H](C)C2)CCC1 ZINC000227946941 134399430 /nfs/dbraw/zinc/39/94/30/134399430.db2.gz OGGLCIJWRIAIEC-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCC[C@H](C)C2)CCC1 ZINC000227946948 134399304 /nfs/dbraw/zinc/39/93/04/134399304.db2.gz OGGLCIJWRIAIEC-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]Cc2ccc(C)cc2C)CCC1 ZINC000227947001 259634772 /nfs/dbraw/zinc/63/47/72/259634772.db2.gz KFWBZAZJRNQSDC-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CCC1 ZINC000227947251 388762777 /nfs/dbraw/zinc/76/27/77/388762777.db2.gz ZDGDPARXXMXCCL-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CCC1 ZINC000227947260 388762576 /nfs/dbraw/zinc/76/25/76/388762576.db2.gz ZDGDPARXXMXCCL-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CCC1 ZINC000227947265 388762942 /nfs/dbraw/zinc/76/29/42/388762942.db2.gz ZDGDPARXXMXCCL-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CCC1 ZINC000227947269 259634670 /nfs/dbraw/zinc/63/46/70/259634670.db2.gz ZDGDPARXXMXCCL-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]Cc2cc(C)ccc2C)CCC1 ZINC000227947586 259634727 /nfs/dbraw/zinc/63/47/27/259634727.db2.gz RIDJASPKMWLWJM-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CSC1(C[NH2+]Cc2cccc(C)c2C)CCC1 ZINC000227947760 388763095 /nfs/dbraw/zinc/76/30/95/388763095.db2.gz BLDINBLOYBDPRL-UHFFFAOYSA-N 1 0 249.423 3.679 20 0 BHADRO CSC1(C[NH2+]C2CCC(C)(C)CC2)CCC1 ZINC000227947861 134399572 /nfs/dbraw/zinc/39/95/72/134399572.db2.gz MMTOXAVBTCYCDV-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000227948563 259634777 /nfs/dbraw/zinc/63/47/77/259634777.db2.gz FLRGPGRYYDSCHL-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000227948969 371962645 /nfs/dbraw/zinc/96/26/45/371962645.db2.gz SCHLIFGRTKBNRL-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO CSC1(C[NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000227949467 388763032 /nfs/dbraw/zinc/76/30/32/388763032.db2.gz BUPWZNBRJOXSGJ-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CSC1(C[NH2+]Cc2cc(C)c(C)cc2C)CC1 ZINC000227949537 388763388 /nfs/dbraw/zinc/76/33/88/388763388.db2.gz MDHIPAGCAYGQEG-UHFFFAOYSA-N 1 0 249.423 3.597 20 0 BHADRO CSC1(C[NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC000227950935 259634746 /nfs/dbraw/zinc/63/47/46/259634746.db2.gz RTRDZFHTYCRUQS-UHFFFAOYSA-N 1 0 249.423 3.597 20 0 BHADRO CSC1(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000227951416 388762470 /nfs/dbraw/zinc/76/24/70/388762470.db2.gz ICRGNJHLZDBOKX-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000227951424 259634773 /nfs/dbraw/zinc/63/47/73/259634773.db2.gz ICRGNJHLZDBOKX-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000227951438 259634730 /nfs/dbraw/zinc/63/47/30/259634730.db2.gz ICRGNJHLZDBOKX-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000227951448 259634729 /nfs/dbraw/zinc/63/47/29/259634729.db2.gz ICRGNJHLZDBOKX-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1CCC([NH2+]CC2(SC)CC2)CC1 ZINC000227951893 388762525 /nfs/dbraw/zinc/76/25/25/388762525.db2.gz XDYSQEOHVLRVDS-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000227985549 134396460 /nfs/dbraw/zinc/39/64/60/134396460.db2.gz MJEOYCDMMSHEOR-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000227985553 134396390 /nfs/dbraw/zinc/39/63/90/134396390.db2.gz MJEOYCDMMSHEOR-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000227985562 134396160 /nfs/dbraw/zinc/39/61/60/134396160.db2.gz MJEOYCDMMSHEOR-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000227985572 350522672 /nfs/dbraw/zinc/52/26/72/350522672.db2.gz MJEOYCDMMSHEOR-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000227985769 640855089 /nfs/dbraw/zinc/85/50/89/640855089.db2.gz QSRCMLVHNDQVMD-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000227985778 640855673 /nfs/dbraw/zinc/85/56/73/640855673.db2.gz QSRCMLVHNDQVMD-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000227985788 640855836 /nfs/dbraw/zinc/85/58/36/640855836.db2.gz QSRCMLVHNDQVMD-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000227985797 640855254 /nfs/dbraw/zinc/85/52/54/640855254.db2.gz QSRCMLVHNDQVMD-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CCC1 ZINC000228013107 388764410 /nfs/dbraw/zinc/76/44/10/388764410.db2.gz QQNKHTXYTGUVFI-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CCC1 ZINC000228013131 259635411 /nfs/dbraw/zinc/63/54/11/259635411.db2.gz QQNKHTXYTGUVFI-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CCC1 ZINC000228014021 259635159 /nfs/dbraw/zinc/63/51/59/259635159.db2.gz DIKGFSJXDOPGLD-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2)CCC1 ZINC000228014039 388764644 /nfs/dbraw/zinc/76/46/44/388764644.db2.gz DIKGFSJXDOPGLD-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CCCC(CCC)[NH2+]CC1(SC)CCC1 ZINC000228014761 259635111 /nfs/dbraw/zinc/63/51/11/259635111.db2.gz PBDDTPAWVDSBMO-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CSC1(C[NH2+]C2CCCCCCC2)CCC1 ZINC000228014792 640856738 /nfs/dbraw/zinc/85/67/38/640856738.db2.gz FCBGKDAPYPTUJQ-UHFFFAOYSA-N 1 0 241.444 3.975 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000228016612 640855362 /nfs/dbraw/zinc/85/53/62/640855362.db2.gz JPUHWTDTEHRSPR-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000228016624 640855857 /nfs/dbraw/zinc/85/58/57/640855857.db2.gz JPUHWTDTEHRSPR-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000228016964 388765550 /nfs/dbraw/zinc/76/55/50/388765550.db2.gz BWOBUSIGPHBKNG-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000228016983 388766124 /nfs/dbraw/zinc/76/61/24/388766124.db2.gz BWOBUSIGPHBKNG-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(SC)CCC1 ZINC000228016998 388765620 /nfs/dbraw/zinc/76/56/20/388765620.db2.gz BWOBUSIGPHBKNG-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(SC)CCC1 ZINC000228017009 259635118 /nfs/dbraw/zinc/63/51/18/259635118.db2.gz BWOBUSIGPHBKNG-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCC(C)C)CCC1 ZINC000228017520 388765607 /nfs/dbraw/zinc/76/56/07/388765607.db2.gz MNFYKKBIQZNFGO-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCC(C)C)CCC1 ZINC000228017533 388765689 /nfs/dbraw/zinc/76/56/89/388765689.db2.gz MNFYKKBIQZNFGO-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](C)C2CCCCC2)CCC1 ZINC000228017620 388765835 /nfs/dbraw/zinc/76/58/35/388765835.db2.gz BRLXDPQMUOYCTR-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@H](C)C2CCCCC2)CCC1 ZINC000228017632 388766081 /nfs/dbraw/zinc/76/60/81/388766081.db2.gz BRLXDPQMUOYCTR-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CCC1 ZINC000228017756 388765728 /nfs/dbraw/zinc/76/57/28/388765728.db2.gz SFRUBXOTCOASTO-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]C2[C@H](C)CCC[C@H]2C)CCC1 ZINC000228017782 259635233 /nfs/dbraw/zinc/63/52/33/259635233.db2.gz SFRUBXOTCOASTO-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CCC1 ZINC000228017992 388765465 /nfs/dbraw/zinc/76/54/65/388765465.db2.gz SGGGCGSFRSCYSK-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CCC1 ZINC000228018021 259635494 /nfs/dbraw/zinc/63/54/94/259635494.db2.gz SGGGCGSFRSCYSK-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCCC2(C)C)CCC1 ZINC000228018324 358367580 /nfs/dbraw/zinc/36/75/80/358367580.db2.gz HSPORPBEOKHHQU-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCCC2(C)C)CCC1 ZINC000228018340 358367678 /nfs/dbraw/zinc/36/76/78/358367678.db2.gz HSPORPBEOKHHQU-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1(SC)CCC1 ZINC000228018495 388765709 /nfs/dbraw/zinc/76/57/09/388765709.db2.gz OMHQQJUTZBFCPI-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1(SC)CCC1 ZINC000228018506 388765537 /nfs/dbraw/zinc/76/55/37/388765537.db2.gz OMHQQJUTZBFCPI-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000228020108 388765476 /nfs/dbraw/zinc/76/54/76/388765476.db2.gz WCJDVQPNNJLIEU-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000228020120 259635211 /nfs/dbraw/zinc/63/52/11/259635211.db2.gz WCJDVQPNNJLIEU-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000228020135 388765576 /nfs/dbraw/zinc/76/55/76/388765576.db2.gz WCJDVQPNNJLIEU-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000228020148 259635214 /nfs/dbraw/zinc/63/52/14/259635214.db2.gz WCJDVQPNNJLIEU-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(SC)CC1 ZINC000228021636 388765640 /nfs/dbraw/zinc/76/56/40/388765640.db2.gz SOYQFHZQRHEBKG-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(SC)CC1 ZINC000228021653 388765534 /nfs/dbraw/zinc/76/55/34/388765534.db2.gz SOYQFHZQRHEBKG-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(SC)CC1 ZINC000228021666 388765898 /nfs/dbraw/zinc/76/58/98/388765898.db2.gz SOYQFHZQRHEBKG-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(SC)CC1 ZINC000228021680 388765339 /nfs/dbraw/zinc/76/53/39/388765339.db2.gz SOYQFHZQRHEBKG-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000228022832 388765190 /nfs/dbraw/zinc/76/51/90/388765190.db2.gz XVYPXWNTTTYLJG-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000228022845 388766205 /nfs/dbraw/zinc/76/62/05/388766205.db2.gz XVYPXWNTTTYLJG-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000228022856 259635109 /nfs/dbraw/zinc/63/51/09/259635109.db2.gz XVYPXWNTTTYLJG-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000228022866 388766011 /nfs/dbraw/zinc/76/60/11/388766011.db2.gz XVYPXWNTTTYLJG-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]C(CC(C)C)CC(C)C)CC1 ZINC000228023551 259635403 /nfs/dbraw/zinc/63/54/03/259635403.db2.gz KXJRNAVZSWZWTI-UHFFFAOYSA-N 1 0 243.460 3.932 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000228024084 643856463 /nfs/dbraw/zinc/85/64/63/643856463.db2.gz ONXBVBSBCQTWPF-GFCCVEGCSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC1(SC)CC1 ZINC000228024094 643856271 /nfs/dbraw/zinc/85/62/71/643856271.db2.gz ONXBVBSBCQTWPF-LBPRGKRZSA-N 1 0 229.433 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000228024935 175453174 /nfs/dbraw/zinc/45/31/74/175453174.db2.gz SOIOHWOBZXHWOL-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000228024947 388766059 /nfs/dbraw/zinc/76/60/59/388766059.db2.gz SOIOHWOBZXHWOL-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO CCCC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000228038185 350526338 /nfs/dbraw/zinc/52/63/38/350526338.db2.gz NDRIOBALANNNEK-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000228038195 169011267 /nfs/dbraw/zinc/01/12/67/169011267.db2.gz NDRIOBALANNNEK-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000228038203 168974061 /nfs/dbraw/zinc/97/40/61/168974061.db2.gz NDRIOBALANNNEK-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000228038210 169011797 /nfs/dbraw/zinc/01/17/97/169011797.db2.gz NDRIOBALANNNEK-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)([NH2+]CC1CCCCCC1)C1CC1 ZINC000228040910 711685990 /nfs/dbraw/zinc/68/59/90/711685990.db2.gz AWNVLUDSDMBLLY-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000228041752 711833490 /nfs/dbraw/zinc/83/34/90/711833490.db2.gz FJXMGUXLEJQDLM-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000228041763 711833468 /nfs/dbraw/zinc/83/34/68/711833468.db2.gz FJXMGUXLEJQDLM-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000228041772 711833391 /nfs/dbraw/zinc/83/33/91/711833391.db2.gz FJXMGUXLEJQDLM-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000228041781 635457535 /nfs/dbraw/zinc/45/75/35/635457535.db2.gz FJXMGUXLEJQDLM-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000228043355 134401544 /nfs/dbraw/zinc/40/15/44/134401544.db2.gz IXSLKSHDDGHUGK-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000228043367 387061561 /nfs/dbraw/zinc/06/15/61/387061561.db2.gz IXSLKSHDDGHUGK-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000228043378 350526280 /nfs/dbraw/zinc/52/62/80/350526280.db2.gz IXSLKSHDDGHUGK-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000228043391 387062208 /nfs/dbraw/zinc/06/22/08/387062208.db2.gz IXSLKSHDDGHUGK-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CCC[C@@H](C)O)cc1 ZINC000228045372 385321260 /nfs/dbraw/zinc/32/12/60/385321260.db2.gz XJZJIKTYAHTZKJ-KGLIPLIRSA-N 1 0 249.398 3.622 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000228045382 388768046 /nfs/dbraw/zinc/76/80/46/388768046.db2.gz QMAXTUUFXMMMKY-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CCC[C@H](C)O)cc1 ZINC000228045385 385321088 /nfs/dbraw/zinc/32/10/88/385321088.db2.gz XJZJIKTYAHTZKJ-KBPBESRZSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CCC[C@@H](C)O)cc1 ZINC000228045399 385322209 /nfs/dbraw/zinc/32/22/09/385322209.db2.gz XJZJIKTYAHTZKJ-ZIAGYGMSSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CCC[C@H](C)O)cc1 ZINC000228045413 167612409 /nfs/dbraw/zinc/61/24/09/167612409.db2.gz XJZJIKTYAHTZKJ-UONOGXRCSA-N 1 0 249.398 3.622 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000228075174 388768459 /nfs/dbraw/zinc/76/84/59/388768459.db2.gz XWZJYXMHIWFQTN-GFCCVEGCSA-N 1 0 230.355 3.836 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000228075184 259635800 /nfs/dbraw/zinc/63/58/00/259635800.db2.gz XWZJYXMHIWFQTN-LBPRGKRZSA-N 1 0 230.355 3.836 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cc1 ZINC000228076781 388768619 /nfs/dbraw/zinc/76/86/19/388768619.db2.gz YKRXAECWPISGAE-RDBSUJKOSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc1 ZINC000228076799 259305185 /nfs/dbraw/zinc/30/51/85/259305185.db2.gz YKRXAECWPISGAE-IHRRRGAJSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228079296 387066040 /nfs/dbraw/zinc/06/60/40/387066040.db2.gz NMQNUZQKYKUWOT-LZWOXQAQSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228079309 535323376 /nfs/dbraw/zinc/32/33/76/535323376.db2.gz NMQNUZQKYKUWOT-FMKPAKJESA-N 1 0 249.398 3.523 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228083174 535066633 /nfs/dbraw/zinc/06/66/33/535066633.db2.gz AVSMKQSGUBIGRI-LZWOXQAQSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228083185 387065378 /nfs/dbraw/zinc/06/53/78/387065378.db2.gz AVSMKQSGUBIGRI-FMKPAKJESA-N 1 0 249.398 3.667 20 0 BHADRO CC1(C)C[C@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000228083980 388769114 /nfs/dbraw/zinc/76/91/14/388769114.db2.gz XPFFWFDCJVBJJA-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000228083987 259635924 /nfs/dbraw/zinc/63/59/24/259635924.db2.gz XPFFWFDCJVBJJA-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CSC1(C[NH2+]CCC2CCCCC2)CCC1 ZINC000228089650 388769263 /nfs/dbraw/zinc/76/92/63/388769263.db2.gz FFIIHQDZDUECMS-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)s1 ZINC000228089998 491089810 /nfs/dbraw/zinc/08/98/10/491089810.db2.gz RKYHGNKXJMHTAO-JFGNBEQYSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)s1 ZINC000228090014 491089776 /nfs/dbraw/zinc/08/97/76/491089776.db2.gz RKYHGNKXJMHTAO-SCVCMEIPSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@@H](C)C1 ZINC000228109285 388768779 /nfs/dbraw/zinc/76/87/79/388768779.db2.gz OVYIRDKYJWHDPW-RFGFWPKPSA-N 1 0 207.361 3.509 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000228123275 388770546 /nfs/dbraw/zinc/77/05/46/388770546.db2.gz JRMZAZTXOJTZPH-CYBMUJFWSA-N 1 0 219.372 3.958 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000228123286 388771216 /nfs/dbraw/zinc/77/12/16/388771216.db2.gz JRMZAZTXOJTZPH-ZDUSSCGKSA-N 1 0 219.372 3.958 20 0 BHADRO Oc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000228137315 387078250 /nfs/dbraw/zinc/07/82/50/387078250.db2.gz HNLOUPFYNSKSQU-GOEBONIOSA-N 1 0 245.366 3.547 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc(C)c1O ZINC000228160074 388770671 /nfs/dbraw/zinc/77/06/71/388770671.db2.gz HRJOCBXQZLELND-BXUZGUMPSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc(C)c1O ZINC000228160083 388771422 /nfs/dbraw/zinc/77/14/22/388771422.db2.gz HRJOCBXQZLELND-SMDDNHRTSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc(C)c1O ZINC000228177123 259374588 /nfs/dbraw/zinc/37/45/88/259374588.db2.gz UZBXELNIKLXUKI-BXUZGUMPSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc(C)c1O ZINC000228177132 259374552 /nfs/dbraw/zinc/37/45/52/259374552.db2.gz UZBXELNIKLXUKI-SMDDNHRTSA-N 1 0 247.382 3.629 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000228197695 640865062 /nfs/dbraw/zinc/86/50/62/640865062.db2.gz JZPRFEIIBVGNCT-FRRDWIJNSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000228197704 633898071 /nfs/dbraw/zinc/89/80/71/633898071.db2.gz JZPRFEIIBVGNCT-AGIUHOORSA-N 1 0 211.393 3.837 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1C)CC2 ZINC000228249629 347052488 /nfs/dbraw/zinc/05/24/88/347052488.db2.gz CPSREOUYXMVSAX-UHOFOFEASA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1C)CC2 ZINC000228249637 347052502 /nfs/dbraw/zinc/05/25/02/347052502.db2.gz CPSREOUYXMVSAX-DAXOMENPSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000228269887 259375461 /nfs/dbraw/zinc/37/54/61/259375461.db2.gz LAKAGKURKLMMII-YVLXSGLVSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000228269911 259375428 /nfs/dbraw/zinc/37/54/28/259375428.db2.gz LAKAGKURKLMMII-DGFSRKRXSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000228275952 259375656 /nfs/dbraw/zinc/37/56/56/259375656.db2.gz TYOURKKGZAIAGL-OSMZGAPFSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000228275973 259375605 /nfs/dbraw/zinc/37/56/05/259375605.db2.gz TYOURKKGZAIAGL-QKCSRTOESA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000228294980 323082183 /nfs/dbraw/zinc/08/21/83/323082183.db2.gz OGEXRKHAXAKMFM-XNRPHZJLSA-N 1 0 241.334 3.615 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000228294998 323082192 /nfs/dbraw/zinc/08/21/92/323082192.db2.gz OGEXRKHAXAKMFM-IVMMDQJWSA-N 1 0 241.334 3.615 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000228295846 323082199 /nfs/dbraw/zinc/08/21/99/323082199.db2.gz DSHFCIFIWYJIDY-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000228295855 323082135 /nfs/dbraw/zinc/08/21/35/323082135.db2.gz DSHFCIFIWYJIDY-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228296003 134412699 /nfs/dbraw/zinc/41/26/99/134412699.db2.gz VKFQLKKZZVVERS-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000228296016 350536149 /nfs/dbraw/zinc/53/61/49/350536149.db2.gz VKFQLKKZZVVERS-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228296075 640869284 /nfs/dbraw/zinc/86/92/84/640869284.db2.gz JTCGQXAHKSYPCQ-MROQNXINSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000228296533 640868868 /nfs/dbraw/zinc/86/88/68/640868868.db2.gz BZTUQGKHWPFPSB-MBJXGIAVSA-N 1 0 241.444 3.685 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228296676 633928243 /nfs/dbraw/zinc/92/82/43/633928243.db2.gz XQRBPRLYGCYMSN-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000228296691 640868862 /nfs/dbraw/zinc/86/88/62/640868862.db2.gz XQRBPRLYGCYMSN-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C=CCCC2)[C@@H](C)C1 ZINC000228297379 323082154 /nfs/dbraw/zinc/08/21/54/323082154.db2.gz XDMBCOFOBAYJKA-RFGFWPKPSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000228297862 323082222 /nfs/dbraw/zinc/08/22/22/323082222.db2.gz JAXYCURIQGQVAC-MBNYWOFBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000228297878 323082166 /nfs/dbraw/zinc/08/21/66/323082166.db2.gz JAXYCURIQGQVAC-DYEKYZERSA-N 1 0 221.388 3.591 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)CC)o1 ZINC000228313838 259375760 /nfs/dbraw/zinc/37/57/60/259375760.db2.gz OZDXGKLAJXBTGP-UTUOFQBUSA-N 1 0 223.360 3.927 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)CC)o1 ZINC000228313848 259375934 /nfs/dbraw/zinc/37/59/34/259375934.db2.gz OZDXGKLAJXBTGP-WOPDTQHZSA-N 1 0 223.360 3.927 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000228320069 259376312 /nfs/dbraw/zinc/37/63/12/259376312.db2.gz GXIJYJQNVPLUBS-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000228320086 259376322 /nfs/dbraw/zinc/37/63/22/259376322.db2.gz GXIJYJQNVPLUBS-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000228325871 259376336 /nfs/dbraw/zinc/37/63/36/259376336.db2.gz NLPOLDFNYNEHRH-UMNHJUIQSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000228325882 259376364 /nfs/dbraw/zinc/37/63/64/259376364.db2.gz NLPOLDFNYNEHRH-HOSYDEDBSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000228326023 259376263 /nfs/dbraw/zinc/37/62/63/259376263.db2.gz UQKOYSXUVOJNRD-LOWVWBTDSA-N 1 0 229.323 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000228326035 259376343 /nfs/dbraw/zinc/37/63/43/259376343.db2.gz UQKOYSXUVOJNRD-DMDPSCGWSA-N 1 0 229.323 3.739 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000228331218 347092531 /nfs/dbraw/zinc/09/25/31/347092531.db2.gz BJQJEOXTFBMIMS-QEJZJMRPSA-N 1 0 217.356 3.629 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000228331228 347092317 /nfs/dbraw/zinc/09/23/17/347092317.db2.gz BJQJEOXTFBMIMS-CFVMTHIKSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228360285 385699109 /nfs/dbraw/zinc/69/91/09/385699109.db2.gz BSXNXPQVJSBNOL-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)CC)cs1 ZINC000228365921 385705229 /nfs/dbraw/zinc/70/52/29/385705229.db2.gz OURPFZSIVVZGIU-MXWKQRLJSA-N 1 0 240.416 3.791 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)CC)cs1 ZINC000228365930 385704246 /nfs/dbraw/zinc/70/42/46/385704246.db2.gz OURPFZSIVVZGIU-VWYCJHECSA-N 1 0 240.416 3.791 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CC ZINC000228368132 259376552 /nfs/dbraw/zinc/37/65/52/259376552.db2.gz AGUIGGNDBNKDRD-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC ZINC000228368143 259356574 /nfs/dbraw/zinc/35/65/74/259356574.db2.gz AGUIGGNDBNKDRD-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1cncc(NCc2cccc3cnccc32)c1 ZINC000228491878 491095436 /nfs/dbraw/zinc/09/54/36/491095436.db2.gz RTKDIOUTAYVXGJ-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO CCc1ccc([C@@H](C)N[C@@H](C)C(F)F)cc1 ZINC000228491911 491095442 /nfs/dbraw/zinc/09/54/42/491095442.db2.gz DSRODMYISJROEX-ZJUUUORDSA-N 1 0 227.298 3.553 20 0 BHADRO CCc1ccc([C@H](C)N[C@@H](C)C(F)F)cc1 ZINC000228491919 491095407 /nfs/dbraw/zinc/09/54/07/491095407.db2.gz DSRODMYISJROEX-UWVGGRQHSA-N 1 0 227.298 3.553 20 0 BHADRO CCc1ccc([C@@H](C)N[C@H](C)C(F)F)cc1 ZINC000228491923 491095485 /nfs/dbraw/zinc/09/54/85/491095485.db2.gz DSRODMYISJROEX-NXEZZACHSA-N 1 0 227.298 3.553 20 0 BHADRO CCc1ccc([C@H](C)N[C@H](C)C(F)F)cc1 ZINC000228491926 491095426 /nfs/dbraw/zinc/09/54/26/491095426.db2.gz DSRODMYISJROEX-VHSXEESVSA-N 1 0 227.298 3.553 20 0 BHADRO CC(C)=CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000228500954 385849771 /nfs/dbraw/zinc/84/97/71/385849771.db2.gz AUVXOFQNSAQECO-OAHLLOKOSA-N 1 0 233.330 3.833 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000228500961 385849855 /nfs/dbraw/zinc/84/98/55/385849855.db2.gz AUVXOFQNSAQECO-HNNXBMFYSA-N 1 0 233.330 3.833 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCSC2)CC1 ZINC000228553328 358377628 /nfs/dbraw/zinc/37/76/28/358377628.db2.gz FFKPOPVABNLAHS-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCSC2)CC1 ZINC000228553333 358377557 /nfs/dbraw/zinc/37/75/57/358377557.db2.gz FFKPOPVABNLAHS-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCSC2)CC1 ZINC000228553338 358377663 /nfs/dbraw/zinc/37/76/63/358377663.db2.gz FFKPOPVABNLAHS-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCSC2)CC1 ZINC000228553345 358377476 /nfs/dbraw/zinc/37/74/76/358377476.db2.gz FFKPOPVABNLAHS-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO C(C[NH2+]C(C1CC1)C1CC1)CC1CCCC1 ZINC000228554406 323086503 /nfs/dbraw/zinc/08/65/03/323086503.db2.gz ISZDGNNZIAQEOH-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)CC1 ZINC000228555016 490291108 /nfs/dbraw/zinc/29/11/08/490291108.db2.gz RNHFZIZYODBMIC-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)CC1 ZINC000228555025 490291350 /nfs/dbraw/zinc/29/13/50/490291350.db2.gz RNHFZIZYODBMIC-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCSC1 ZINC000228555568 323092256 /nfs/dbraw/zinc/09/22/56/323092256.db2.gz XNHKZTCHYSSVBM-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCSC1 ZINC000228555581 323092312 /nfs/dbraw/zinc/09/23/12/323092312.db2.gz XNHKZTCHYSSVBM-AVGNSLFASA-N 1 0 229.433 3.544 20 0 BHADRO CCC1(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000228559379 491095706 /nfs/dbraw/zinc/09/57/06/491095706.db2.gz FHKFKLQRYFFARI-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C[NH2+]Cc2cccc3cnccc32)CCC1 ZINC000228559402 491095687 /nfs/dbraw/zinc/09/56/87/491095687.db2.gz WZHHFALRFUVEMP-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000228564045 398096202 /nfs/dbraw/zinc/09/62/02/398096202.db2.gz NGZNRIDVYPULMV-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000228564048 259414478 /nfs/dbraw/zinc/41/44/78/259414478.db2.gz NGZNRIDVYPULMV-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000228564053 398095866 /nfs/dbraw/zinc/09/58/66/398095866.db2.gz NGZNRIDVYPULMV-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000228564058 398096064 /nfs/dbraw/zinc/09/60/64/398096064.db2.gz NGZNRIDVYPULMV-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000228564172 259414751 /nfs/dbraw/zinc/41/47/51/259414751.db2.gz QHTOBJVWBLLJQZ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000228564177 398095896 /nfs/dbraw/zinc/09/58/96/398095896.db2.gz QHTOBJVWBLLJQZ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+]C1CCC(C)(C)CC1 ZINC000228564877 387102416 /nfs/dbraw/zinc/10/24/16/387102416.db2.gz HBSKDFBOANHQOA-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+]CC1CCCCCC1 ZINC000228564884 259414806 /nfs/dbraw/zinc/41/48/06/259414806.db2.gz IKVCPDJUANXXDG-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC1CCC([NH2+]CCCCOC(C)C)CC1 ZINC000228565255 385882949 /nfs/dbraw/zinc/88/29/49/385882949.db2.gz QRPGAXQJWXZQDN-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCCCOC(C)C ZINC000228565353 179037896 /nfs/dbraw/zinc/03/78/96/179037896.db2.gz MYLRYFQRYKNEQP-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1ccc(C[NH2+]CCCCOC(C)C)c(C)c1 ZINC000228565428 191105358 /nfs/dbraw/zinc/10/53/58/191105358.db2.gz HCGFHFBPUUIJTR-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCCCOC(C)C)c1 ZINC000228565579 386587019 /nfs/dbraw/zinc/58/70/19/386587019.db2.gz PPWSIXYZVHAFQH-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1cccc(C[NH2+]CCCCOC(C)C)c1C ZINC000228565586 387102282 /nfs/dbraw/zinc/10/22/82/387102282.db2.gz XZCWQYKPMWCGIH-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCCCOC(C)C)c1 ZINC000228565977 259414808 /nfs/dbraw/zinc/41/48/08/259414808.db2.gz YTXQXAFOGNSMIU-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO CCc1ccc(C[NH2+]CCCCOC(C)C)cc1 ZINC000228566076 385883986 /nfs/dbraw/zinc/88/39/86/385883986.db2.gz OSNGGNIVZMSVLG-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO Cc1ccc(C[NH2+]CCCCOC(C)C)cc1C ZINC000228566110 188253935 /nfs/dbraw/zinc/25/39/35/188253935.db2.gz JUVWETOYJABXPO-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO c1cc2ccc(C[NH2+]CCC3=CCCC3)cc2[nH]1 ZINC000228567899 323100123 /nfs/dbraw/zinc/10/01/23/323100123.db2.gz RBIARWMFRYGRCZ-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCC2)cc(C)c1O ZINC000228571946 387103077 /nfs/dbraw/zinc/10/30/77/387103077.db2.gz JHODFIHTMYHRNI-UHFFFAOYSA-N 1 0 245.366 3.599 20 0 BHADRO c1cc2cc(C[NH2+]CCC3=CCCC3)ccc2[nH]1 ZINC000228574916 259414711 /nfs/dbraw/zinc/41/47/11/259414711.db2.gz KNZFFGQOFJEFNL-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CCC1 ZINC000228619713 491096215 /nfs/dbraw/zinc/09/62/15/491096215.db2.gz ZLBIRLCRMXOBBT-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000228619833 386937323 /nfs/dbraw/zinc/93/73/23/386937323.db2.gz PLFRQBJUHLNCEU-LMLFDSFASA-N 1 0 237.309 3.742 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000228627475 387112470 /nfs/dbraw/zinc/11/24/70/387112470.db2.gz IWLLVWUAGQTDFC-KGYLQXTDSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000228627478 387111987 /nfs/dbraw/zinc/11/19/87/387111987.db2.gz IWLLVWUAGQTDFC-WCFLWFBJSA-N 1 0 221.344 3.502 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000228627530 386651072 /nfs/dbraw/zinc/65/10/72/386651072.db2.gz QMPMBLSVWXCSSM-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000228627546 134424575 /nfs/dbraw/zinc/42/45/75/134424575.db2.gz QMPMBLSVWXCSSM-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccncc1C ZINC000228656488 635461848 /nfs/dbraw/zinc/46/18/48/635461848.db2.gz BYEBBUYRDKAJGC-CQSZACIVSA-N 1 0 234.387 3.839 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)s1 ZINC000228657105 635463389 /nfs/dbraw/zinc/46/33/89/635463389.db2.gz IMIGSPLOCNKHDL-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000228657977 358382522 /nfs/dbraw/zinc/38/25/22/358382522.db2.gz UVFHOMIRIXMACI-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000228657989 358382727 /nfs/dbraw/zinc/38/27/27/358382727.db2.gz UVFHOMIRIXMACI-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000228658002 358382549 /nfs/dbraw/zinc/38/25/49/358382549.db2.gz UVFHOMIRIXMACI-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000228658013 358382635 /nfs/dbraw/zinc/38/26/35/358382635.db2.gz UVFHOMIRIXMACI-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H](C)c1ccccc1C ZINC000228659444 386596912 /nfs/dbraw/zinc/59/69/12/386596912.db2.gz LABXOBUIQJPWFP-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cnccc1C[NH2+]C1CCC(C(C)C)CC1 ZINC000228660050 358382695 /nfs/dbraw/zinc/38/26/95/358382695.db2.gz ACUZORIRGJEPML-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000228662482 350550913 /nfs/dbraw/zinc/55/09/13/350550913.db2.gz OUJSNNUUWXONAZ-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000228662494 386597108 /nfs/dbraw/zinc/59/71/08/386597108.db2.gz OUJSNNUUWXONAZ-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000228672183 323365792 /nfs/dbraw/zinc/36/57/92/323365792.db2.gz ISUKWXFTGUOPND-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)CCC1 ZINC000228675381 640889348 /nfs/dbraw/zinc/88/93/48/640889348.db2.gz RAECUERFEOWLOL-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCOC3(CCCC3)C2)CCC1 ZINC000228675390 640888871 /nfs/dbraw/zinc/88/88/71/640888871.db2.gz RAECUERFEOWLOL-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO COC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000228685544 323366013 /nfs/dbraw/zinc/36/60/13/323366013.db2.gz RDUQJNGALFBRHO-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO COC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000228685553 323365807 /nfs/dbraw/zinc/36/58/07/323365807.db2.gz RDUQJNGALFBRHO-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000228686694 387805159 /nfs/dbraw/zinc/80/51/59/387805159.db2.gz PMGJJIMDXFHVLL-MGPQQGTHSA-N 1 0 239.428 3.607 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000228686715 387805102 /nfs/dbraw/zinc/80/51/02/387805102.db2.gz PMGJJIMDXFHVLL-HZSPNIEDSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000228694797 323367563 /nfs/dbraw/zinc/36/75/63/323367563.db2.gz SNHJBJVDUFYSJW-GFCCVEGCSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000228694808 323367511 /nfs/dbraw/zinc/36/75/11/323367511.db2.gz SNHJBJVDUFYSJW-LBPRGKRZSA-N 1 0 230.355 3.692 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C3CC3)CC2)c(C)c1 ZINC000228717039 259375426 /nfs/dbraw/zinc/37/54/26/259375426.db2.gz GCUSWQGXRGWVFF-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C3CC3)CC2)s1 ZINC000228717250 537853660 /nfs/dbraw/zinc/85/36/60/537853660.db2.gz GRMUWAMICKZPIS-UHFFFAOYSA-N 1 0 235.396 3.590 20 0 BHADRO Cc1cccc(C[NH2+]CC2(C3CC3)CC2)c1C ZINC000228717781 385729102 /nfs/dbraw/zinc/72/91/02/385729102.db2.gz YVRQGTPRTYZPDI-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1cc(C[NH2+]CC2(C3CC3)CC2)c(C)s1 ZINC000228717945 323087961 /nfs/dbraw/zinc/08/79/61/323087961.db2.gz JVPRGZTZQBXHPR-UHFFFAOYSA-N 1 0 235.396 3.645 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000228718061 385733071 /nfs/dbraw/zinc/73/30/71/385733071.db2.gz OLPYYESJLNNNEP-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000228718639 259376941 /nfs/dbraw/zinc/37/69/41/259376941.db2.gz RTKMWYUXDICYTN-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000228719113 323091596 /nfs/dbraw/zinc/09/15/96/323091596.db2.gz AQHLQNTVBBFXJW-UHFFFAOYSA-N 1 0 229.367 3.529 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000228719493 537853821 /nfs/dbraw/zinc/85/38/21/537853821.db2.gz WNKQFDUUGAYZOE-UHFFFAOYSA-N 1 0 241.378 3.844 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1C ZINC000228719520 262745233 /nfs/dbraw/zinc/74/52/33/262745233.db2.gz MBNMBKKRWUNWFE-UHFFFAOYSA-N 1 0 229.367 3.583 20 0 BHADRO CCCC[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000228735329 387123600 /nfs/dbraw/zinc/12/36/00/387123600.db2.gz FADCCLZUFHFGTE-MRXNPFEDSA-N 1 0 249.398 3.670 20 0 BHADRO CCCC[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000228735339 134429845 /nfs/dbraw/zinc/42/98/45/134429845.db2.gz FADCCLZUFHFGTE-INIZCTEOSA-N 1 0 249.398 3.670 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000228810643 259636884 /nfs/dbraw/zinc/63/68/84/259636884.db2.gz KUILYGKVYORYSS-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000228810664 388774732 /nfs/dbraw/zinc/77/47/32/388774732.db2.gz KUILYGKVYORYSS-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000228811182 259636746 /nfs/dbraw/zinc/63/67/46/259636746.db2.gz NPXMFQMXTJZHIZ-CYBMUJFWSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000228811191 388774513 /nfs/dbraw/zinc/77/45/13/388774513.db2.gz NPXMFQMXTJZHIZ-ZDUSSCGKSA-N 1 0 229.367 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000228811244 387119956 /nfs/dbraw/zinc/11/99/56/387119956.db2.gz GRLPJYWYQXRLSI-OAHLLOKOSA-N 1 0 229.367 3.918 20 0 BHADRO CC[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1 ZINC000228811251 387118902 /nfs/dbraw/zinc/11/89/02/387118902.db2.gz GRLPJYWYQXRLSI-HNNXBMFYSA-N 1 0 229.367 3.918 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000228811261 387118533 /nfs/dbraw/zinc/11/85/33/387118533.db2.gz RTMMOSPCSMXEDS-HNNXBMFYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000228811271 387118476 /nfs/dbraw/zinc/11/84/76/387118476.db2.gz RTMMOSPCSMXEDS-OAHLLOKOSA-N 1 0 245.341 3.593 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000228811436 388775012 /nfs/dbraw/zinc/77/50/12/388775012.db2.gz NPSVPZOUEQGJOJ-CYBMUJFWSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000228811450 259637154 /nfs/dbraw/zinc/63/71/54/259637154.db2.gz NPSVPZOUEQGJOJ-ZDUSSCGKSA-N 1 0 229.367 3.836 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000228812265 387119638 /nfs/dbraw/zinc/11/96/38/387119638.db2.gz OQEKHFZTXFZHNN-INIZCTEOSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000228812274 134428774 /nfs/dbraw/zinc/42/87/74/134428774.db2.gz OQEKHFZTXFZHNN-MRXNPFEDSA-N 1 0 241.378 3.844 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000228812315 388775165 /nfs/dbraw/zinc/77/51/65/388775165.db2.gz KHRDZRAIZOLIHA-AWEZNQCLSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000228812324 388774813 /nfs/dbraw/zinc/77/48/13/388774813.db2.gz KHRDZRAIZOLIHA-CQSZACIVSA-N 1 0 243.394 3.788 20 0 BHADRO CC(C)OCCCC[NH2+]C1CCCCCCC1 ZINC000228812560 711836764 /nfs/dbraw/zinc/83/67/64/711836764.db2.gz FMWDOXLHWIGESP-UHFFFAOYSA-N 1 0 241.419 3.894 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000228813855 358386248 /nfs/dbraw/zinc/38/62/48/358386248.db2.gz CNRSSOOMSKCZEH-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCCC1(C)C ZINC000228813864 358386367 /nfs/dbraw/zinc/38/63/67/358386367.db2.gz CNRSSOOMSKCZEH-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000228821333 259548476 /nfs/dbraw/zinc/54/84/76/259548476.db2.gz GIRVEEYJCSLZQV-SHARSMKWSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000228821344 388774329 /nfs/dbraw/zinc/77/43/29/388774329.db2.gz GIRVEEYJCSLZQV-SLTAFYQDSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228821397 388774283 /nfs/dbraw/zinc/77/42/83/388774283.db2.gz VCSIUNJIXDXVEM-JVWICGRDSA-N 1 0 247.357 3.707 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228821406 388774623 /nfs/dbraw/zinc/77/46/23/388774623.db2.gz VCSIUNJIXDXVEM-OWYJLGKBSA-N 1 0 247.357 3.707 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228821419 388775078 /nfs/dbraw/zinc/77/50/78/388775078.db2.gz DFYDFYFZJAPHAJ-JVWICGRDSA-N 1 0 247.357 3.707 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228821424 259636785 /nfs/dbraw/zinc/63/67/85/259636785.db2.gz DFYDFYFZJAPHAJ-OWYJLGKBSA-N 1 0 247.357 3.707 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000228821478 259637049 /nfs/dbraw/zinc/63/70/49/259637049.db2.gz INBFANQWBPQWIM-OTTFEQOBSA-N 1 0 247.357 3.707 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000228821490 388774936 /nfs/dbraw/zinc/77/49/36/388774936.db2.gz INBFANQWBPQWIM-CPCZMJQVSA-N 1 0 247.357 3.707 20 0 BHADRO CC(C)C1(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000228827889 388775065 /nfs/dbraw/zinc/77/50/65/388775065.db2.gz DJIIFVFGVQAPTN-UHFFFAOYSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC3(C)CC3)C2)cc1 ZINC000228828134 259636840 /nfs/dbraw/zinc/63/68/40/259636840.db2.gz SVVBNAIFRPAJLE-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO CC1(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000228828145 388774132 /nfs/dbraw/zinc/77/41/32/388774132.db2.gz YZOOMWJQEXLNNZ-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC2(C)CC2)C1 ZINC000228828166 134428660 /nfs/dbraw/zinc/42/86/60/134428660.db2.gz VVZSEJHSHGCBSP-UHFFFAOYSA-N 1 0 229.367 3.631 20 0 BHADRO CCC1(C[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000228828203 388774288 /nfs/dbraw/zinc/77/42/88/388774288.db2.gz JUQSTYCVVXBPBL-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+]C2CC(c3cccc(F)c3)C2)CCC1 ZINC000228828325 259637174 /nfs/dbraw/zinc/63/71/74/259637174.db2.gz TYNOEGANWOQJCY-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC1([NH2+]Cc2cccc(C3CC3)c2)CCC1 ZINC000228835750 358386309 /nfs/dbraw/zinc/38/63/09/358386309.db2.gz PLNVBQNUFSSOAK-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CC1([NH2+]Cc2ccc(C3CC3)cc2)CCC1 ZINC000228836146 358386336 /nfs/dbraw/zinc/38/63/36/358386336.db2.gz JXWWOLAKDJNBTK-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CC1([NH2+]Cc2ccc(C(F)F)cc2)CCC1 ZINC000228836530 324927688 /nfs/dbraw/zinc/92/76/88/324927688.db2.gz ZSMXGMGWGKGEEQ-UHFFFAOYSA-N 1 0 225.282 3.656 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000228874812 388776328 /nfs/dbraw/zinc/77/63/28/388776328.db2.gz QIZFLAXSFWLYKC-OCCSQVGLSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000228874827 388776585 /nfs/dbraw/zinc/77/65/85/388776585.db2.gz QIZFLAXSFWLYKC-TZMCWYRMSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000228874836 388776201 /nfs/dbraw/zinc/77/62/01/388776201.db2.gz QIZFLAXSFWLYKC-JSGCOSHPSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000228874849 388776175 /nfs/dbraw/zinc/77/61/75/388776175.db2.gz QIZFLAXSFWLYKC-GXTWGEPZSA-N 1 0 207.361 3.535 20 0 BHADRO CSCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000228877696 640900943 /nfs/dbraw/zinc/90/09/43/640900943.db2.gz JFNXDGXRLVIUPQ-CHWSQXEVSA-N 1 0 237.412 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000228877707 640901896 /nfs/dbraw/zinc/90/18/96/640901896.db2.gz JFNXDGXRLVIUPQ-OLZOCXBDSA-N 1 0 237.412 3.521 20 0 BHADRO CSCC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000228877717 640901684 /nfs/dbraw/zinc/90/16/84/640901684.db2.gz JFNXDGXRLVIUPQ-QWHCGFSZSA-N 1 0 237.412 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000228877728 640901804 /nfs/dbraw/zinc/90/18/04/640901804.db2.gz JFNXDGXRLVIUPQ-STQMWFEESA-N 1 0 237.412 3.521 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000228877792 635465439 /nfs/dbraw/zinc/46/54/39/635465439.db2.gz LHPHWLYDNHZCPK-KOLCDFICSA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000228877802 635464175 /nfs/dbraw/zinc/46/41/75/635464175.db2.gz LHPHWLYDNHZCPK-ONGXEEELSA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000228877812 635464967 /nfs/dbraw/zinc/46/49/67/635464967.db2.gz LHPHWLYDNHZCPK-MWLCHTKSSA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000228877824 640902880 /nfs/dbraw/zinc/90/28/80/640902880.db2.gz LHPHWLYDNHZCPK-GXSJLCMTSA-N 1 0 241.400 3.689 20 0 BHADRO CCc1ccc(CNc2cc[nH+]c(C)c2)s1 ZINC000228878025 384354004 /nfs/dbraw/zinc/35/40/04/384354004.db2.gz WIQANZGFLMPKHB-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CSCC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000228879008 640902674 /nfs/dbraw/zinc/90/26/74/640902674.db2.gz XNVBSUOOBLLZFO-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[C@H](C)[NH2+]CCC1CCCCC1 ZINC000228879018 640902441 /nfs/dbraw/zinc/90/24/41/640902441.db2.gz XNVBSUOOBLLZFO-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000228879647 640902907 /nfs/dbraw/zinc/90/29/07/640902907.db2.gz YEAUGLAXMNXNHG-MRVPVSSYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000228879657 640902793 /nfs/dbraw/zinc/90/27/93/640902793.db2.gz YEAUGLAXMNXNHG-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000228880696 388775919 /nfs/dbraw/zinc/77/59/19/388775919.db2.gz KLABJHCPDDTYFU-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000228880718 386633540 /nfs/dbraw/zinc/63/35/40/386633540.db2.gz KLABJHCPDDTYFU-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000228905153 388776906 /nfs/dbraw/zinc/77/69/06/388776906.db2.gz CDYCHBVEYMUDEC-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000228905170 388776780 /nfs/dbraw/zinc/77/67/80/388776780.db2.gz CDYCHBVEYMUDEC-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000228905823 259637051 /nfs/dbraw/zinc/63/70/51/259637051.db2.gz RNZGEHAQUHEJDC-ADEWGFFLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000228905842 388776639 /nfs/dbraw/zinc/77/66/39/388776639.db2.gz RNZGEHAQUHEJDC-USWWRNFRSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c(C)s1 ZINC000228906535 640904426 /nfs/dbraw/zinc/90/44/26/640904426.db2.gz GVHZMXRAWPWRSU-VDDIYKPWSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c(C)s1 ZINC000228906556 640904610 /nfs/dbraw/zinc/90/46/10/640904610.db2.gz GVHZMXRAWPWRSU-PTRXPTGYSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000228911047 388776235 /nfs/dbraw/zinc/77/62/35/388776235.db2.gz JTQZXVZWEUPPSO-GPCCPHFNSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000228911058 388776668 /nfs/dbraw/zinc/77/66/68/388776668.db2.gz JTQZXVZWEUPPSO-RULNRJAQSA-N 1 0 239.309 3.804 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000228913273 640904693 /nfs/dbraw/zinc/90/46/93/640904693.db2.gz KGQCNWQARQNAGP-KWCYVHTRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000228913296 640904256 /nfs/dbraw/zinc/90/42/56/640904256.db2.gz KGQCNWQARQNAGP-XBFCOCLRSA-N 1 0 247.382 3.843 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000229022569 388778020 /nfs/dbraw/zinc/77/80/20/388778020.db2.gz FXGDLCYLJGTPJS-UHFFFAOYSA-N 1 0 231.383 3.954 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCC1)c1ccccc1 ZINC000229080908 711837458 /nfs/dbraw/zinc/83/74/58/711837458.db2.gz NDWCXUNSKMNXTQ-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H](C[NH2+]CCC1CCC1)c1ccccc1 ZINC000229080920 711837487 /nfs/dbraw/zinc/83/74/87/711837487.db2.gz NDWCXUNSKMNXTQ-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CCC2)c(C)o1 ZINC000229080978 711837504 /nfs/dbraw/zinc/83/75/04/711837504.db2.gz WBBHNFNTWKWKGU-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CCC2)c(C)o1 ZINC000229080990 711837503 /nfs/dbraw/zinc/83/75/03/711837503.db2.gz WBBHNFNTWKWKGU-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Clc1csc(C[NH2+]CCC2CCC2)c1 ZINC000229082468 711837514 /nfs/dbraw/zinc/83/75/14/711837514.db2.gz MVQLYGDMJBUDLG-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000229086471 386678408 /nfs/dbraw/zinc/67/84/08/386678408.db2.gz FRFVFPCCRXXQBE-JTQLQIEISA-N 1 0 241.400 3.689 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000229086485 386678810 /nfs/dbraw/zinc/67/88/10/386678810.db2.gz FRFVFPCCRXXQBE-SNVBAGLBSA-N 1 0 241.400 3.689 20 0 BHADRO CSC(C)(C)C[NH2+]CCC1CCCCC1 ZINC000229087381 640921706 /nfs/dbraw/zinc/92/17/06/640921706.db2.gz VOQWOUPVMCNJMW-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cncs1 ZINC000229128273 491109030 /nfs/dbraw/zinc/10/90/30/491109030.db2.gz CXBMMRPWZBYIQF-DTWKUNHWSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cncs1)c1ccsc1 ZINC000229128277 491109014 /nfs/dbraw/zinc/10/90/14/491109014.db2.gz CXBMMRPWZBYIQF-IUCAKERBSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cncs1)c1ccsc1 ZINC000229128284 491109034 /nfs/dbraw/zinc/10/90/34/491109034.db2.gz CXBMMRPWZBYIQF-RKDXNWHRSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccsc1 ZINC000229128293 491109022 /nfs/dbraw/zinc/10/90/22/491109022.db2.gz CXBMMRPWZBYIQF-BDAKNGLRSA-N 1 0 238.381 3.616 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000229131825 388779617 /nfs/dbraw/zinc/77/96/17/388779617.db2.gz CJQWEIFFSJCYMZ-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000229131834 388780616 /nfs/dbraw/zinc/78/06/16/388780616.db2.gz CJQWEIFFSJCYMZ-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132279 388833635 /nfs/dbraw/zinc/83/36/35/388833635.db2.gz CSYRKSCYGRATFZ-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132285 388833414 /nfs/dbraw/zinc/83/34/14/388833414.db2.gz CSYRKSCYGRATFZ-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132289 388833582 /nfs/dbraw/zinc/83/35/82/388833582.db2.gz CSYRKSCYGRATFZ-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132292 388832859 /nfs/dbraw/zinc/83/28/59/388832859.db2.gz CSYRKSCYGRATFZ-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cncs1 ZINC000229132299 388780593 /nfs/dbraw/zinc/78/05/93/388780593.db2.gz UKLNRURDRWQJCD-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1cncs1 ZINC000229132306 388780598 /nfs/dbraw/zinc/78/05/98/388780598.db2.gz UKLNRURDRWQJCD-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cncs1 ZINC000229132312 388780505 /nfs/dbraw/zinc/78/05/05/388780505.db2.gz UKLNRURDRWQJCD-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1cncs1 ZINC000229132318 388780022 /nfs/dbraw/zinc/78/00/22/388780022.db2.gz UKLNRURDRWQJCD-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO CC(C)([NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000229196167 388837782 /nfs/dbraw/zinc/83/77/82/388837782.db2.gz YXBNUPCCDXSDNZ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000229197665 388781635 /nfs/dbraw/zinc/78/16/35/388781635.db2.gz ICSFVLWZWLOYTI-UHFFFAOYSA-N 1 0 244.165 3.883 20 0 BHADRO CCc1ccc(C[NH2+]CCC2=CCCC2)s1 ZINC000229200435 388837893 /nfs/dbraw/zinc/83/78/93/388837893.db2.gz VNFYWNGJVASPRM-UHFFFAOYSA-N 1 0 235.396 3.901 20 0 BHADRO c1cc2cccc(C[NH2+]CCC3=CCCC3)c2[nH]1 ZINC000229200670 387160046 /nfs/dbraw/zinc/16/00/46/387160046.db2.gz KCFZNCHAHYSSJI-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO CSc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000229200756 387159783 /nfs/dbraw/zinc/15/97/83/387159783.db2.gz KHWUVXNUWDHVMG-UHFFFAOYSA-N 1 0 247.407 3.999 20 0 BHADRO CCOc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000229200804 387159922 /nfs/dbraw/zinc/15/99/22/387159922.db2.gz LCKCASWIRFDCSO-UHFFFAOYSA-N 1 0 245.366 3.675 20 0 BHADRO CCOc1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000229200991 387158034 /nfs/dbraw/zinc/15/80/34/387158034.db2.gz BWXOHKPIZUYOGA-UHFFFAOYSA-N 1 0 245.366 3.675 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCC2)c(C)s1 ZINC000229201103 324944787 /nfs/dbraw/zinc/94/47/87/324944787.db2.gz XTEGSQYWAQZJJK-UHFFFAOYSA-N 1 0 235.396 3.955 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCC2)ccc1F ZINC000229201209 387162744 /nfs/dbraw/zinc/16/27/44/387162744.db2.gz UMXMURNSMUPSTK-UHFFFAOYSA-N 1 0 233.330 3.724 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCC2)cc1F ZINC000229201538 345450708 /nfs/dbraw/zinc/45/07/08/345450708.db2.gz CUBHAUXRZLZKOO-UHFFFAOYSA-N 1 0 233.330 3.724 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000229202073 387161855 /nfs/dbraw/zinc/16/18/55/387161855.db2.gz YSOBYJZUWPKPDV-DOMZBBRYSA-N 1 0 245.366 3.993 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000229202086 387161956 /nfs/dbraw/zinc/16/19/56/387161956.db2.gz YSOBYJZUWPKPDV-WFASDCNBSA-N 1 0 245.366 3.993 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000229202100 387161736 /nfs/dbraw/zinc/16/17/36/387161736.db2.gz YSOBYJZUWPKPDV-IUODEOHRSA-N 1 0 245.366 3.993 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000229202112 387162752 /nfs/dbraw/zinc/16/27/52/387162752.db2.gz YSOBYJZUWPKPDV-SWLSCSKDSA-N 1 0 245.366 3.993 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCC2=CCCC2)c1 ZINC000229202352 387163008 /nfs/dbraw/zinc/16/30/08/387163008.db2.gz IWONAIXDACTMME-UHFFFAOYSA-N 1 0 233.330 3.724 20 0 BHADRO Fc1cccc(C[NH2+]CCC2=CCCC2)c1F ZINC000229202505 491109278 /nfs/dbraw/zinc/10/92/78/491109278.db2.gz WGKXASYGHYPSNG-UHFFFAOYSA-N 1 0 237.293 3.555 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCC1=CCCC1 ZINC000229202592 387161972 /nfs/dbraw/zinc/16/19/72/387161972.db2.gz KAZXRDUURQWDPR-UHFFFAOYSA-N 1 0 245.366 3.594 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCC1=CCCC1 ZINC000229202700 387161091 /nfs/dbraw/zinc/16/10/91/387161091.db2.gz ILZMKDZCCVURBS-UHFFFAOYSA-N 1 0 233.330 3.724 20 0 BHADRO CSCCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000229208223 387162602 /nfs/dbraw/zinc/16/26/02/387162602.db2.gz NQBBPPLTGRGXNM-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229209375 387162335 /nfs/dbraw/zinc/16/23/35/387162335.db2.gz SQVRCMFAGWNRFB-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000229211735 134448428 /nfs/dbraw/zinc/44/84/28/134448428.db2.gz IVWHRAOKMRJFBV-NSHDSACASA-N 1 0 241.400 3.690 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000229211744 387162918 /nfs/dbraw/zinc/16/29/18/387162918.db2.gz IVWHRAOKMRJFBV-LLVKDONJSA-N 1 0 241.400 3.690 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000229212223 388782985 /nfs/dbraw/zinc/78/29/85/388782985.db2.gz BMBGEEJTLISERV-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000229212255 388783161 /nfs/dbraw/zinc/78/31/61/388783161.db2.gz BMBGEEJTLISERV-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+]CCC1CCCCC1 ZINC000229213195 363273924 /nfs/dbraw/zinc/27/39/24/363273924.db2.gz UBTPIDAITGUXCT-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO C[C@@H](C[NH2+]CC1CCSCC1)c1ccccc1 ZINC000229219769 175731612 /nfs/dbraw/zinc/73/16/12/175731612.db2.gz VIFPZPVIRUYHES-ZDUSSCGKSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH2+]CC1CCSCC1)c1ccccc1 ZINC000229219781 385587805 /nfs/dbraw/zinc/58/78/05/385587805.db2.gz VIFPZPVIRUYHES-CYBMUJFWSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229220297 324204323 /nfs/dbraw/zinc/20/43/23/324204323.db2.gz TTXKZMVUWXYKFR-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229220317 324203947 /nfs/dbraw/zinc/20/39/47/324203947.db2.gz TTXKZMVUWXYKFR-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO C(CC1CCCCC1)[NH2+]CC1CCSCC1 ZINC000229221223 363273789 /nfs/dbraw/zinc/27/37/89/363273789.db2.gz IWEUZNRDMOWGTP-UHFFFAOYSA-N 1 0 241.444 3.690 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229263676 388784489 /nfs/dbraw/zinc/78/44/89/388784489.db2.gz WVZHZTZKYYNAFN-AWEZNQCLSA-N 1 0 239.403 3.647 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229263689 388784695 /nfs/dbraw/zinc/78/46/95/388784695.db2.gz WVZHZTZKYYNAFN-CQSZACIVSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229264463 259308378 /nfs/dbraw/zinc/30/83/78/259308378.db2.gz CAAVIXGOKLMISE-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229264473 388784492 /nfs/dbraw/zinc/78/44/92/388784492.db2.gz CAAVIXGOKLMISE-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229264484 388784816 /nfs/dbraw/zinc/78/48/16/388784816.db2.gz CAAVIXGOKLMISE-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229264495 388784267 /nfs/dbraw/zinc/78/42/67/388784267.db2.gz CAAVIXGOKLMISE-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229270605 259639694 /nfs/dbraw/zinc/63/96/94/259639694.db2.gz FPDZAZGWCFWBDS-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229270616 388784361 /nfs/dbraw/zinc/78/43/61/388784361.db2.gz FPDZAZGWCFWBDS-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229270627 388784403 /nfs/dbraw/zinc/78/44/03/388784403.db2.gz FPDZAZGWCFWBDS-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229270637 388784321 /nfs/dbraw/zinc/78/43/21/388784321.db2.gz FPDZAZGWCFWBDS-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229271389 487900710 /nfs/dbraw/zinc/90/07/10/487900710.db2.gz WFWNJQMGEAGYNJ-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229271399 487900681 /nfs/dbraw/zinc/90/06/81/487900681.db2.gz WFWNJQMGEAGYNJ-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229271409 487900722 /nfs/dbraw/zinc/90/07/22/487900722.db2.gz WFWNJQMGEAGYNJ-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229271424 487900868 /nfs/dbraw/zinc/90/08/68/487900868.db2.gz WFWNJQMGEAGYNJ-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229276343 388784516 /nfs/dbraw/zinc/78/45/16/388784516.db2.gz PCDYVQURXKWFGR-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229276352 388784548 /nfs/dbraw/zinc/78/45/48/388784548.db2.gz PCDYVQURXKWFGR-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229277283 323118494 /nfs/dbraw/zinc/11/84/94/323118494.db2.gz PKRJFTRLAGCIFW-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229277305 323118420 /nfs/dbraw/zinc/11/84/20/323118420.db2.gz PKRJFTRLAGCIFW-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000229277997 487899861 /nfs/dbraw/zinc/89/98/61/487899861.db2.gz KDWOPNRRNKNJLN-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000229278010 487900174 /nfs/dbraw/zinc/90/01/74/487900174.db2.gz KDWOPNRRNKNJLN-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000229278022 487900200 /nfs/dbraw/zinc/90/02/00/487900200.db2.gz KDWOPNRRNKNJLN-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000229278028 487900146 /nfs/dbraw/zinc/90/01/46/487900146.db2.gz KDWOPNRRNKNJLN-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000229280022 388784423 /nfs/dbraw/zinc/78/44/23/388784423.db2.gz RXCYPZZXTTWTIF-RAIGVLPGSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000229280034 388784294 /nfs/dbraw/zinc/78/42/94/388784294.db2.gz RXCYPZZXTTWTIF-CYZMBNFOSA-N 1 0 221.344 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229285229 487900834 /nfs/dbraw/zinc/90/08/34/487900834.db2.gz YUJQLIWXQBGHMZ-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229285241 487900732 /nfs/dbraw/zinc/90/07/32/487900732.db2.gz YUJQLIWXQBGHMZ-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229285254 488101055 /nfs/dbraw/zinc/10/10/55/488101055.db2.gz YUJQLIWXQBGHMZ-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229285261 487900856 /nfs/dbraw/zinc/90/08/56/487900856.db2.gz YUJQLIWXQBGHMZ-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2ccccc2n1 ZINC000229285432 388784303 /nfs/dbraw/zinc/78/43/03/388784303.db2.gz YBDURGUGGYDERL-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229285516 487900586 /nfs/dbraw/zinc/90/05/86/487900586.db2.gz AUYRSEWFROOCSL-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229285524 487900875 /nfs/dbraw/zinc/90/08/75/487900875.db2.gz AUYRSEWFROOCSL-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229285531 488101050 /nfs/dbraw/zinc/10/10/50/488101050.db2.gz AUYRSEWFROOCSL-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229285540 487901635 /nfs/dbraw/zinc/90/16/35/487901635.db2.gz AUYRSEWFROOCSL-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229287324 388784970 /nfs/dbraw/zinc/78/49/70/388784970.db2.gz LNUMKWITYQRFBB-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229287332 259639638 /nfs/dbraw/zinc/63/96/38/259639638.db2.gz LNUMKWITYQRFBB-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229287348 388785044 /nfs/dbraw/zinc/78/50/44/388785044.db2.gz LNUMKWITYQRFBB-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229287356 388784434 /nfs/dbraw/zinc/78/44/34/388784434.db2.gz LNUMKWITYQRFBB-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000229292842 387151199 /nfs/dbraw/zinc/15/11/99/387151199.db2.gz FIUIFGZNYFWHCZ-OCCSQVGLSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000229292852 134443869 /nfs/dbraw/zinc/44/38/69/134443869.db2.gz FIUIFGZNYFWHCZ-JSGCOSHPSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000229292865 387149444 /nfs/dbraw/zinc/14/94/44/387149444.db2.gz FIUIFGZNYFWHCZ-TZMCWYRMSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000229292877 387151349 /nfs/dbraw/zinc/15/13/49/387151349.db2.gz FIUIFGZNYFWHCZ-GXTWGEPZSA-N 1 0 240.350 3.513 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000229307582 259639489 /nfs/dbraw/zinc/63/94/89/259639489.db2.gz OPDVZNTUVQYHKN-YIYPIFLZSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C(C)(C)C ZINC000229308112 358401604 /nfs/dbraw/zinc/40/16/04/358401604.db2.gz SICVPQHFTBYFSL-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C(C)(C)C ZINC000229308124 537883583 /nfs/dbraw/zinc/88/35/83/537883583.db2.gz SICVPQHFTBYFSL-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C(C)(C)C ZINC000229308131 358400950 /nfs/dbraw/zinc/40/09/50/358400950.db2.gz SICVPQHFTBYFSL-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C(C)(C)C ZINC000229308142 537882306 /nfs/dbraw/zinc/88/23/06/537882306.db2.gz SICVPQHFTBYFSL-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229311962 487905027 /nfs/dbraw/zinc/90/50/27/487905027.db2.gz SRCLASLXZCLGQP-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229311975 487904769 /nfs/dbraw/zinc/90/47/69/487904769.db2.gz SRCLASLXZCLGQP-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000229412887 635469064 /nfs/dbraw/zinc/46/90/64/635469064.db2.gz YIUBOJGQUZYRLW-FPMFFAJLSA-N 1 0 235.396 3.621 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000229412903 635469900 /nfs/dbraw/zinc/46/99/00/635469900.db2.gz YIUBOJGQUZYRLW-IACUBPJLSA-N 1 0 235.396 3.621 20 0 BHADRO Cc1ccoc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000229472023 388790205 /nfs/dbraw/zinc/79/02/05/388790205.db2.gz ZHQCLWHXFCXPAU-UHFFFAOYSA-N 1 0 245.366 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccsc1 ZINC000229477833 388790805 /nfs/dbraw/zinc/79/08/05/388790805.db2.gz CNQWDIKJHWMMCC-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccsc1 ZINC000229477843 397986743 /nfs/dbraw/zinc/98/67/43/397986743.db2.gz CNQWDIKJHWMMCC-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000229478892 179183407 /nfs/dbraw/zinc/18/34/07/179183407.db2.gz SOBBPJOBIJKCAN-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000229479048 134454105 /nfs/dbraw/zinc/45/41/05/134454105.db2.gz PWVHCPUWXZQUPT-GFCCVEGCSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000229479057 134454842 /nfs/dbraw/zinc/45/48/42/134454842.db2.gz PWVHCPUWXZQUPT-LBPRGKRZSA-N 1 0 221.344 3.646 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1C=CCCC1 ZINC000229494205 372157738 /nfs/dbraw/zinc/15/77/38/372157738.db2.gz QMRDHXLDRYLZGW-QWHCGFSZSA-N 1 0 233.330 3.927 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1C=CCCC1 ZINC000229494216 372158335 /nfs/dbraw/zinc/15/83/35/372158335.db2.gz QMRDHXLDRYLZGW-CHWSQXEVSA-N 1 0 233.330 3.927 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000229496608 372157819 /nfs/dbraw/zinc/15/78/19/372157819.db2.gz AKEFYLUVCUECCA-VXGBXAGGSA-N 1 0 233.380 3.776 20 0 BHADRO C[C@H]1c2ccsc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000229496619 372158241 /nfs/dbraw/zinc/15/82/41/372158241.db2.gz AKEFYLUVCUECCA-NWDGAFQWSA-N 1 0 233.380 3.776 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000229497313 388791925 /nfs/dbraw/zinc/79/19/25/388791925.db2.gz LRHCAMNHZDYNDA-SWLSCSKDSA-N 1 0 233.330 3.927 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000229497330 388792234 /nfs/dbraw/zinc/79/22/34/388792234.db2.gz LRHCAMNHZDYNDA-IUODEOHRSA-N 1 0 233.330 3.927 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000229517072 388791952 /nfs/dbraw/zinc/79/19/52/388791952.db2.gz ADTJAMHPTCFJCO-HZSPNIEDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000229517095 259640956 /nfs/dbraw/zinc/64/09/56/259640956.db2.gz ADTJAMHPTCFJCO-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000229518208 388792438 /nfs/dbraw/zinc/79/24/38/388792438.db2.gz IUQOIJJRKOUFNT-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000229518219 259641300 /nfs/dbraw/zinc/64/13/00/259641300.db2.gz IUQOIJJRKOUFNT-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+]Cc1ccc(Cl)o1 ZINC000229518627 387175771 /nfs/dbraw/zinc/17/57/71/387175771.db2.gz IYHMTEFUIGGKKK-UHFFFAOYSA-N 1 0 247.791 3.556 20 0 BHADRO CSCCCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000229518870 388792450 /nfs/dbraw/zinc/79/24/50/388792450.db2.gz FAAYNTZGDZLUHT-ZIAGYGMSSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000229518880 388792035 /nfs/dbraw/zinc/79/20/35/388792035.db2.gz FAAYNTZGDZLUHT-KGLIPLIRSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000229518887 259641180 /nfs/dbraw/zinc/64/11/80/259641180.db2.gz FAAYNTZGDZLUHT-UONOGXRCSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000229518893 259640894 /nfs/dbraw/zinc/64/08/94/259640894.db2.gz FAAYNTZGDZLUHT-KBPBESRZSA-N 1 0 243.460 3.936 20 0 BHADRO CC(C)C(C[NH2+]Cc1ccsc1)C(C)C ZINC000229521587 388792565 /nfs/dbraw/zinc/79/25/65/388792565.db2.gz FRUBHDZCKWVGCU-UHFFFAOYSA-N 1 0 225.401 3.766 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)Cc1ccco1)C(C)C ZINC000229522917 711653626 /nfs/dbraw/zinc/65/36/26/711653626.db2.gz DCLRRCPOGBLMRJ-ZDUSSCGKSA-N 1 0 237.387 3.728 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)Cc1ccco1)C(C)C ZINC000229522924 711653435 /nfs/dbraw/zinc/65/34/35/711653435.db2.gz DCLRRCPOGBLMRJ-CYBMUJFWSA-N 1 0 237.387 3.728 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C(C)C)C(C)C ZINC000229523732 259641038 /nfs/dbraw/zinc/64/10/38/259641038.db2.gz RYDCCZRDXPCEPQ-UHFFFAOYSA-N 1 0 223.360 3.606 20 0 BHADRO CC(C)C(C[NH2+]Cc1cccs1)C(C)C ZINC000229526084 388793887 /nfs/dbraw/zinc/79/38/87/388793887.db2.gz MDDJQQOBZOBOML-UHFFFAOYSA-N 1 0 225.401 3.766 20 0 BHADRO Cc1ccc(C[NH2+]CC(C(C)C)C(C)C)o1 ZINC000229528162 388793366 /nfs/dbraw/zinc/79/33/66/388793366.db2.gz HATXGFUJQZCHNH-UHFFFAOYSA-N 1 0 223.360 3.606 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1cscn1)C(C)C ZINC000229530685 388793240 /nfs/dbraw/zinc/79/32/40/388793240.db2.gz BTWALNFXOCEXRU-NSHDSACASA-N 1 0 240.416 3.722 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1cscn1)C(C)C ZINC000229530697 388793957 /nfs/dbraw/zinc/79/39/57/388793957.db2.gz BTWALNFXOCEXRU-LLVKDONJSA-N 1 0 240.416 3.722 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccco1)C(C)C ZINC000229535345 388793163 /nfs/dbraw/zinc/79/31/63/388793163.db2.gz VQNXWKIBIJPYQH-LBPRGKRZSA-N 1 0 223.360 3.858 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccco1)C(C)C ZINC000229535354 259310944 /nfs/dbraw/zinc/31/09/44/259310944.db2.gz VQNXWKIBIJPYQH-GFCCVEGCSA-N 1 0 223.360 3.858 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccoc1)C(C)C ZINC000229536672 491115054 /nfs/dbraw/zinc/11/50/54/491115054.db2.gz LKXPPBFCGQJJEZ-LBPRGKRZSA-N 1 0 223.360 3.858 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccoc1)C(C)C ZINC000229536682 491115024 /nfs/dbraw/zinc/11/50/24/491115024.db2.gz LKXPPBFCGQJJEZ-GFCCVEGCSA-N 1 0 223.360 3.858 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1cccc(O)c1)C(C)C ZINC000229537206 259641618 /nfs/dbraw/zinc/64/16/18/259641618.db2.gz VWARMAZJHRQXFC-ZDUSSCGKSA-N 1 0 249.398 3.971 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1cccc(O)c1)C(C)C ZINC000229537212 388793891 /nfs/dbraw/zinc/79/38/91/388793891.db2.gz VWARMAZJHRQXFC-CYBMUJFWSA-N 1 0 249.398 3.971 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000229537476 388793806 /nfs/dbraw/zinc/79/38/06/388793806.db2.gz MWWJNISVARKJKO-CYBMUJFWSA-N 1 0 243.435 3.708 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000229537484 388793814 /nfs/dbraw/zinc/79/38/14/388793814.db2.gz MWWJNISVARKJKO-ZDUSSCGKSA-N 1 0 243.435 3.708 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1cncs1)C(C)C ZINC000229538458 388793817 /nfs/dbraw/zinc/79/38/17/388793817.db2.gz KSLVSHJDFMWWRU-NSHDSACASA-N 1 0 240.416 3.722 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1cncs1)C(C)C ZINC000229538469 388793391 /nfs/dbraw/zinc/79/33/91/388793391.db2.gz KSLVSHJDFMWWRU-LLVKDONJSA-N 1 0 240.416 3.722 20 0 BHADRO CC1(CNC(=[NH2+])Nc2ccccc2)CCCCC1 ZINC000229541518 640965975 /nfs/dbraw/zinc/96/59/75/640965975.db2.gz XSZUVGMIIAOVAG-UHFFFAOYSA-N 1 0 245.370 3.593 20 0 BHADRO CCC(CC)(CNc1cc[nH+]c(C)c1)SC ZINC000229547096 640967224 /nfs/dbraw/zinc/96/72/24/640967224.db2.gz SRQWYFVCPSGATB-UHFFFAOYSA-N 1 0 238.400 3.724 20 0 BHADRO CC(C)C(C[NH2+]CCCC(F)(F)F)C(C)C ZINC000229550470 385632806 /nfs/dbraw/zinc/63/28/06/385632806.db2.gz ANFJNXVBWDDEGA-UHFFFAOYSA-N 1 0 239.325 3.847 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000229560436 388794912 /nfs/dbraw/zinc/79/49/12/388794912.db2.gz OLLIVRPZDPSGNB-MPKXVKKWSA-N 1 0 218.344 3.627 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000229560446 259641685 /nfs/dbraw/zinc/64/16/85/259641685.db2.gz OLLIVRPZDPSGNB-ZKYQVNSYSA-N 1 0 218.344 3.627 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC1(C)C ZINC000229561634 388795494 /nfs/dbraw/zinc/79/54/94/388795494.db2.gz KRTLSJNUYYDGRP-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC1(C)C ZINC000229561642 388795434 /nfs/dbraw/zinc/79/54/34/388795434.db2.gz KRTLSJNUYYDGRP-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC1(C)C ZINC000229561649 259641629 /nfs/dbraw/zinc/64/16/29/259641629.db2.gz KRTLSJNUYYDGRP-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC1(C)C ZINC000229561659 259641735 /nfs/dbraw/zinc/64/17/35/259641735.db2.gz KRTLSJNUYYDGRP-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cc(NCCC2CCCCC2)cc[nH+]1 ZINC000229562775 259641623 /nfs/dbraw/zinc/64/16/23/259641623.db2.gz VYKRJLLAXOTAGR-UHFFFAOYSA-N 1 0 218.344 3.772 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000229563195 388795053 /nfs/dbraw/zinc/79/50/53/388795053.db2.gz HWVVEXOXTJTHRZ-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000229563204 388795571 /nfs/dbraw/zinc/79/55/71/388795571.db2.gz HWVVEXOXTJTHRZ-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000229563226 259641382 /nfs/dbraw/zinc/64/13/82/259641382.db2.gz AOMAGTILTIYFCS-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000229563238 388795251 /nfs/dbraw/zinc/79/52/51/388795251.db2.gz AOMAGTILTIYFCS-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO Cc1cc(NCCC2=CCCCC2)cc[nH+]1 ZINC000229564051 178157985 /nfs/dbraw/zinc/15/79/85/178157985.db2.gz AROGTTSJMGYIBQ-UHFFFAOYSA-N 1 0 216.328 3.692 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(C2CC2)CC1 ZINC000229564315 259641483 /nfs/dbraw/zinc/64/14/83/259641483.db2.gz IYLRDGHSQWCBPX-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1(C2CC2)CC1 ZINC000229564323 388795183 /nfs/dbraw/zinc/79/51/83/388795183.db2.gz IYLRDGHSQWCBPX-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000229564745 388795479 /nfs/dbraw/zinc/79/54/79/388795479.db2.gz FSJWWBCXHQUNGA-OCCSQVGLSA-N 1 0 218.344 3.771 20 0 BHADRO CC[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000229564752 388794786 /nfs/dbraw/zinc/79/47/86/388794786.db2.gz FSJWWBCXHQUNGA-JSGCOSHPSA-N 1 0 218.344 3.771 20 0 BHADRO CC[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)c1 ZINC000229564758 388795360 /nfs/dbraw/zinc/79/53/60/388795360.db2.gz FSJWWBCXHQUNGA-TZMCWYRMSA-N 1 0 218.344 3.771 20 0 BHADRO CC[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C)c1 ZINC000229564764 388794581 /nfs/dbraw/zinc/79/45/81/388794581.db2.gz FSJWWBCXHQUNGA-GXTWGEPZSA-N 1 0 218.344 3.771 20 0 BHADRO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000229564930 640967876 /nfs/dbraw/zinc/96/78/76/640967876.db2.gz FBPOKZYCEOOUMA-LLVKDONJSA-N 1 0 232.352 3.933 20 0 BHADRO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)c2)s1 ZINC000229564939 640967656 /nfs/dbraw/zinc/96/76/56/640967656.db2.gz FBPOKZYCEOOUMA-NSHDSACASA-N 1 0 232.352 3.933 20 0 BHADRO Cc1cc(NC[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000229565440 134458163 /nfs/dbraw/zinc/45/81/63/134458163.db2.gz IMQHDKFHMNVBKV-DGCLKSJQSA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(NC[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000229565447 387178619 /nfs/dbraw/zinc/17/86/19/387178619.db2.gz IMQHDKFHMNVBKV-WCQYABFASA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(NC[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000229565455 387180130 /nfs/dbraw/zinc/18/01/30/387180130.db2.gz IMQHDKFHMNVBKV-YPMHNXCESA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(NC[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000229565461 387179789 /nfs/dbraw/zinc/17/97/89/387179789.db2.gz IMQHDKFHMNVBKV-AAEUAGOBSA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(N[C@H](C)c2ccsc2)cc[nH+]1 ZINC000229566745 491115794 /nfs/dbraw/zinc/11/57/94/491115794.db2.gz ROOGNYMAUNZEQZ-SNVBAGLBSA-N 1 0 218.325 3.625 20 0 BHADRO Cc1cc(N[C@@H](C)c2ccsc2)cc[nH+]1 ZINC000229566751 491115801 /nfs/dbraw/zinc/11/58/01/491115801.db2.gz ROOGNYMAUNZEQZ-JTQLQIEISA-N 1 0 218.325 3.625 20 0 BHADRO Cc1cc(NCC2CCC(C)CC2)cc[nH+]1 ZINC000229566947 387180058 /nfs/dbraw/zinc/18/00/58/387180058.db2.gz PPHVZOPRPRBTLI-UHFFFAOYSA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(N[C@H](C)CCC(C)C)cc[nH+]1 ZINC000229567395 178186615 /nfs/dbraw/zinc/18/66/15/178186615.db2.gz YUWMSCCBERXZMB-LLVKDONJSA-N 1 0 206.333 3.627 20 0 BHADRO Cc1cc(N[C@@H](C)CCC(C)C)cc[nH+]1 ZINC000229567404 388795230 /nfs/dbraw/zinc/79/52/30/388795230.db2.gz YUWMSCCBERXZMB-NSHDSACASA-N 1 0 206.333 3.627 20 0 BHADRO Cc1cc(NCc2ccc(Cl)s2)cc[nH+]1 ZINC000229568134 178171884 /nfs/dbraw/zinc/17/18/84/178171884.db2.gz HFORFYRZRSZGMX-UHFFFAOYSA-N 1 0 238.743 3.717 20 0 BHADRO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000229569129 388795209 /nfs/dbraw/zinc/79/52/09/388795209.db2.gz UJDITONZECLEIN-ZYHUDNBSSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000229569137 388794964 /nfs/dbraw/zinc/79/49/64/388794964.db2.gz UJDITONZECLEIN-CMPLNLGQSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000229569146 388795178 /nfs/dbraw/zinc/79/51/78/388795178.db2.gz UJDITONZECLEIN-PWSUYJOCSA-N 1 0 206.333 3.627 20 0 BHADRO CC[C@H](C)C[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000229569152 388795565 /nfs/dbraw/zinc/79/55/65/388795565.db2.gz UJDITONZECLEIN-JQWIXIFHSA-N 1 0 206.333 3.627 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1cccnc1 ZINC000229573158 387183039 /nfs/dbraw/zinc/18/30/39/387183039.db2.gz XQWISWPURVMTAE-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1cccnc1 ZINC000229573162 387180838 /nfs/dbraw/zinc/18/08/38/387180838.db2.gz XQWISWPURVMTAE-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)c1ccncc1 ZINC000229573235 385634551 /nfs/dbraw/zinc/63/45/51/385634551.db2.gz DGOWGRQKUKGOCE-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)c1ccncc1 ZINC000229573243 385634162 /nfs/dbraw/zinc/63/41/62/385634162.db2.gz DGOWGRQKUKGOCE-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000229578038 259310667 /nfs/dbraw/zinc/31/06/67/259310667.db2.gz YNGHGTJGCKBHON-MJBXVCDLSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000229578058 388795275 /nfs/dbraw/zinc/79/52/75/388795275.db2.gz YNGHGTJGCKBHON-IHRRRGAJSA-N 1 0 243.435 3.588 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)CC1CCC1 ZINC000229581991 372168820 /nfs/dbraw/zinc/16/88/20/372168820.db2.gz ALPFYIDEZGSWNO-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H](C)CC1CCC1 ZINC000229581998 372168082 /nfs/dbraw/zinc/16/80/82/372168082.db2.gz ALPFYIDEZGSWNO-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000229582007 388795451 /nfs/dbraw/zinc/79/54/51/388795451.db2.gz SVKPOMGOAFABOU-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000229582021 259642165 /nfs/dbraw/zinc/64/21/65/259642165.db2.gz SVKPOMGOAFABOU-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCCSC ZINC000229582063 358404253 /nfs/dbraw/zinc/40/42/53/358404253.db2.gz DNKPPOFFULAORB-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCCCSC ZINC000229582070 358404466 /nfs/dbraw/zinc/40/44/66/358404466.db2.gz DNKPPOFFULAORB-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCCCSC ZINC000229582080 358404298 /nfs/dbraw/zinc/40/42/98/358404298.db2.gz DNKPPOFFULAORB-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCCCSC ZINC000229582086 358404295 /nfs/dbraw/zinc/40/42/95/358404295.db2.gz DNKPPOFFULAORB-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000229582783 388795120 /nfs/dbraw/zinc/79/51/20/388795120.db2.gz UZCRZQKRDZMAPO-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000229582791 388795413 /nfs/dbraw/zinc/79/54/13/388795413.db2.gz UZCRZQKRDZMAPO-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000229582802 259642375 /nfs/dbraw/zinc/64/23/75/259642375.db2.gz SXYVUGXYZUDVBA-HZSPNIEDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000229582816 388795346 /nfs/dbraw/zinc/79/53/46/388795346.db2.gz SXYVUGXYZUDVBA-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)CCC(C)C ZINC000229583719 388795513 /nfs/dbraw/zinc/79/55/13/388795513.db2.gz UOSGZNPXQUJDRO-ZDUSSCGKSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCCC[NH2+][C@H](C)CCC(C)C ZINC000229583730 259361216 /nfs/dbraw/zinc/36/12/16/259361216.db2.gz UOSGZNPXQUJDRO-CYBMUJFWSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229584128 259642150 /nfs/dbraw/zinc/64/21/50/259642150.db2.gz VKZFDBDGMCEMFR-HZSPNIEDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000229584146 388795174 /nfs/dbraw/zinc/79/51/74/388795174.db2.gz VKZFDBDGMCEMFR-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO Cc1ccoc1C[NH2+]CC1(C)CCCCC1 ZINC000229586752 388796749 /nfs/dbraw/zinc/79/67/49/388796749.db2.gz OMNIRIGLYQFKBP-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO Cc1nc(C[NH2+]CC2(C)CCCCC2)cs1 ZINC000229586927 387184784 /nfs/dbraw/zinc/18/47/84/387184784.db2.gz YQOVCTXZYPFQCG-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CC1(C[NH2+]Cc2cccs2)CCCCC1 ZINC000229586974 259642373 /nfs/dbraw/zinc/64/23/73/259642373.db2.gz QZEVMVHXDPDQAR-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO Cc1csc(C[NH2+]CC2(C)CCCCC2)n1 ZINC000229587290 387183917 /nfs/dbraw/zinc/18/39/17/387183917.db2.gz AMIZRRRLSOIOKU-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCCCC2)o1 ZINC000229587432 388796572 /nfs/dbraw/zinc/79/65/72/388796572.db2.gz SEOBXTQDMPOVJU-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC000229587641 388796635 /nfs/dbraw/zinc/79/66/35/388796635.db2.gz LJYSZPTXOHRFRH-UHFFFAOYSA-N 1 0 223.385 3.808 20 0 BHADRO CC(C)n1cc(C[NH2+]CC2(C)CCCCC2)cn1 ZINC000229587767 387184876 /nfs/dbraw/zinc/18/48/76/387184876.db2.gz XOMKSMJTCLZNLK-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1ncsc1C[NH2+]CC1(C)CCCCC1 ZINC000229588069 387185116 /nfs/dbraw/zinc/18/51/16/387185116.db2.gz APTYLHKSDVKOJD-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO Cc1ncc(C[NH2+]CC2(C)CCCCC2)s1 ZINC000229588155 387183927 /nfs/dbraw/zinc/18/39/27/387183927.db2.gz NOWNATRTRMKEFS-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@H]2CCCCC2(C)C)cn1 ZINC000229588410 136214591 /nfs/dbraw/zinc/21/45/91/136214591.db2.gz SNNUKGATIPYUBN-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@H]2CCCCC2(C)C)cn1 ZINC000229588417 387185151 /nfs/dbraw/zinc/18/51/51/387185151.db2.gz SNNUKGATIPYUBN-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2C=CCCC2)s1 ZINC000229588747 388860388 /nfs/dbraw/zinc/86/03/88/388860388.db2.gz OIZAVFDXXZZUCW-LLVKDONJSA-N 1 0 221.369 3.509 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2C=CCCC2)s1 ZINC000229588760 324967678 /nfs/dbraw/zinc/96/76/78/324967678.db2.gz OIZAVFDXXZZUCW-NSHDSACASA-N 1 0 221.369 3.509 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000229592915 388797028 /nfs/dbraw/zinc/79/70/28/388797028.db2.gz VGLQVMGWOOBXTH-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000229592935 388796791 /nfs/dbraw/zinc/79/67/91/388796791.db2.gz VGLQVMGWOOBXTH-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000229594791 259642332 /nfs/dbraw/zinc/64/23/32/259642332.db2.gz YRVBJTFETDYULE-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000229594801 259642270 /nfs/dbraw/zinc/64/22/70/259642270.db2.gz YRVBJTFETDYULE-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000229594810 388796354 /nfs/dbraw/zinc/79/63/54/388796354.db2.gz YRVBJTFETDYULE-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000229594821 259642253 /nfs/dbraw/zinc/64/22/53/259642253.db2.gz YRVBJTFETDYULE-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229625516 324969848 /nfs/dbraw/zinc/96/98/48/324969848.db2.gz OLTUBFZCMWBVPB-GFCCVEGCSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229625527 324969753 /nfs/dbraw/zinc/96/97/53/324969753.db2.gz OLTUBFZCMWBVPB-LBPRGKRZSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229625539 358405104 /nfs/dbraw/zinc/40/51/04/358405104.db2.gz HGEYJEDMKKGDLJ-GFCCVEGCSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229625549 358405047 /nfs/dbraw/zinc/40/50/47/358405047.db2.gz HGEYJEDMKKGDLJ-LBPRGKRZSA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CCCC2)CC1)c1cn[nH]c1 ZINC000229627414 387186582 /nfs/dbraw/zinc/18/65/82/387186582.db2.gz OVOJWIGJRKTGKR-GFCCVEGCSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CCCC2)CC1)c1cn[nH]c1 ZINC000229627428 134462597 /nfs/dbraw/zinc/46/25/97/134462597.db2.gz OVOJWIGJRKTGKR-LBPRGKRZSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1cn[nH]c1 ZINC000229627927 388797049 /nfs/dbraw/zinc/79/70/49/388797049.db2.gz LILLHGQCXLGJIN-FPMFFAJLSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1cn[nH]c1 ZINC000229627943 259642085 /nfs/dbraw/zinc/64/20/85/259642085.db2.gz LILLHGQCXLGJIN-UBHSHLNASA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000229629854 388796787 /nfs/dbraw/zinc/79/67/87/388796787.db2.gz IFBPRVVWTVJYDW-OSRDXIQISA-N 1 0 249.402 3.521 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cscc1C ZINC000229640098 388797154 /nfs/dbraw/zinc/79/71/54/388797154.db2.gz JSDQIXDOIWOWKQ-YPMHNXCESA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cscc1C ZINC000229640105 388796569 /nfs/dbraw/zinc/79/65/69/388796569.db2.gz JSDQIXDOIWOWKQ-AAEUAGOBSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cscc1C ZINC000229640114 259642265 /nfs/dbraw/zinc/64/22/65/259642265.db2.gz JSDQIXDOIWOWKQ-DGCLKSJQSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cscc1C ZINC000229640122 388796495 /nfs/dbraw/zinc/79/64/95/388796495.db2.gz JSDQIXDOIWOWKQ-WCQYABFASA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000229640507 388798061 /nfs/dbraw/zinc/79/80/61/388798061.db2.gz VVLUHMQJKASROW-UMVBOHGHSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C1CCCC1 ZINC000229641100 259642334 /nfs/dbraw/zinc/64/23/34/259642334.db2.gz ZSBBPKNDMJZYJO-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CCCC1 ZINC000229641120 388798767 /nfs/dbraw/zinc/79/87/67/388798767.db2.gz ZSBBPKNDMJZYJO-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccs1 ZINC000229641200 388798370 /nfs/dbraw/zinc/79/83/70/388798370.db2.gz AWANOZLQHYUOBT-UTUOFQBUSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000229641215 259642210 /nfs/dbraw/zinc/64/22/10/259642210.db2.gz AWANOZLQHYUOBT-IJLUTSLNSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccco1 ZINC000229641289 388798827 /nfs/dbraw/zinc/79/88/27/388798827.db2.gz RSJQWOWRSHEDLX-UTUOFQBUSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000229641304 171003278 /nfs/dbraw/zinc/00/32/78/171003278.db2.gz RSJQWOWRSHEDLX-IJLUTSLNSA-N 1 0 207.317 3.509 20 0 BHADRO CC1([NH2+]Cc2ccc3cc[nH]c3c2)CCCC1 ZINC000229642294 324100890 /nfs/dbraw/zinc/10/08/90/324100890.db2.gz LAFABXBKOQUIMT-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CC1([NH2+]Cc2ccc3[nH]ccc3c2)CCCC1 ZINC000229642314 358405058 /nfs/dbraw/zinc/40/50/58/358405058.db2.gz YMBKKKFDDZSGIG-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229642692 388861645 /nfs/dbraw/zinc/86/16/45/388861645.db2.gz VWWYDKYBYXJGNZ-VXGBXAGGSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229642704 388861678 /nfs/dbraw/zinc/86/16/78/388861678.db2.gz VWWYDKYBYXJGNZ-NWDGAFQWSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229642712 388861738 /nfs/dbraw/zinc/86/17/38/388861738.db2.gz VWWYDKYBYXJGNZ-NEPJUHHUSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229642718 388861647 /nfs/dbraw/zinc/86/16/47/388861647.db2.gz VWWYDKYBYXJGNZ-RYUDHWBXSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229642728 358405474 /nfs/dbraw/zinc/40/54/74/358405474.db2.gz UAMWMENRSHGNFJ-VXGBXAGGSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229642737 358405646 /nfs/dbraw/zinc/40/56/46/358405646.db2.gz UAMWMENRSHGNFJ-NWDGAFQWSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229642746 358405073 /nfs/dbraw/zinc/40/50/73/358405073.db2.gz UAMWMENRSHGNFJ-NEPJUHHUSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229642752 358405623 /nfs/dbraw/zinc/40/56/23/358405623.db2.gz UAMWMENRSHGNFJ-RYUDHWBXSA-N 1 0 230.355 3.692 20 0 BHADRO c1cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2[nH]1 ZINC000229645934 323100721 /nfs/dbraw/zinc/10/07/21/323100721.db2.gz RVGDAFNGDLBVNV-CYBMUJFWSA-N 1 0 240.350 3.614 20 0 BHADRO c1cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2[nH]1 ZINC000229645942 323100736 /nfs/dbraw/zinc/10/07/36/323100736.db2.gz RVGDAFNGDLBVNV-ZDUSSCGKSA-N 1 0 240.350 3.614 20 0 BHADRO c1cc2cc(C[NH2+]C[C@@H]3CC=CCC3)ccc2[nH]1 ZINC000229645980 487934400 /nfs/dbraw/zinc/93/44/00/487934400.db2.gz RXCOLZQRKJUCID-CYBMUJFWSA-N 1 0 240.350 3.614 20 0 BHADRO c1cc2cc(C[NH2+]C[C@H]3CC=CCC3)ccc2[nH]1 ZINC000229646429 487934619 /nfs/dbraw/zinc/93/46/19/487934619.db2.gz RXCOLZQRKJUCID-ZDUSSCGKSA-N 1 0 240.350 3.614 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229646989 324970916 /nfs/dbraw/zinc/97/09/16/324970916.db2.gz LGYZRVWXOOEYPZ-CQSZACIVSA-N 1 0 230.355 3.836 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229646998 388863171 /nfs/dbraw/zinc/86/31/71/388863171.db2.gz LGYZRVWXOOEYPZ-AWEZNQCLSA-N 1 0 230.355 3.836 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229647009 358405901 /nfs/dbraw/zinc/40/59/01/358405901.db2.gz QKOXXWYOLWLQCW-CQSZACIVSA-N 1 0 230.355 3.836 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229647016 358405903 /nfs/dbraw/zinc/40/59/03/358405903.db2.gz QKOXXWYOLWLQCW-AWEZNQCLSA-N 1 0 230.355 3.836 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CCCC1 ZINC000229653020 360399579 /nfs/dbraw/zinc/39/95/79/360399579.db2.gz DVBCILITMMZHMK-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CCCC1 ZINC000229653028 360399542 /nfs/dbraw/zinc/39/95/42/360399542.db2.gz DVBCILITMMZHMK-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C1CCCC1 ZINC000229653051 358406104 /nfs/dbraw/zinc/40/61/04/358406104.db2.gz BXHAZTHAUJIVDD-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C1CCCC1 ZINC000229653057 358406346 /nfs/dbraw/zinc/40/63/46/358406346.db2.gz BXHAZTHAUJIVDD-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229654693 324971616 /nfs/dbraw/zinc/97/16/16/324971616.db2.gz UGWCEJCAXKDHDM-LBPRGKRZSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229654704 324971860 /nfs/dbraw/zinc/97/18/60/324971860.db2.gz UGWCEJCAXKDHDM-GFCCVEGCSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229654716 358406175 /nfs/dbraw/zinc/40/61/75/358406175.db2.gz DLDAMQQIKSJLEV-LBPRGKRZSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229654725 358406136 /nfs/dbraw/zinc/40/61/36/358406136.db2.gz DLDAMQQIKSJLEV-GFCCVEGCSA-N 1 0 230.355 3.550 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C)cc1 ZINC000229657518 387191801 /nfs/dbraw/zinc/19/18/01/387191801.db2.gz ZIJNWYURSLTHHE-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)cc1 ZINC000229657525 387191525 /nfs/dbraw/zinc/19/15/25/387191525.db2.gz ZIJNWYURSLTHHE-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000229667487 388863613 /nfs/dbraw/zinc/86/36/13/388863613.db2.gz GYTQXILPTGNBHV-LLVKDONJSA-N 1 0 230.355 3.692 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000229667516 358405910 /nfs/dbraw/zinc/40/59/10/358405910.db2.gz FLPCKYOPDIWQGH-LLVKDONJSA-N 1 0 230.355 3.692 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229668180 323100740 /nfs/dbraw/zinc/10/07/40/323100740.db2.gz BVEOMAUHNZNOGT-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229668197 358405907 /nfs/dbraw/zinc/40/59/07/358405907.db2.gz PCHZAZBLNIZEKU-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCC1([NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC000229669931 323100739 /nfs/dbraw/zinc/10/07/39/323100739.db2.gz CHXWEPZSHYGWGA-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CCC1([NH2+]Cc2ccc3[nH]ccc3c2)CCC1 ZINC000229669941 358406936 /nfs/dbraw/zinc/40/69/36/358406936.db2.gz LHGJCRUAHSQMGK-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229672112 324972516 /nfs/dbraw/zinc/97/25/16/324972516.db2.gz UGRBYMJEMOVLPP-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229672130 358406851 /nfs/dbraw/zinc/40/68/51/358406851.db2.gz KRFQVJWWNQOMCT-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccsc1 ZINC000229695328 582670194 /nfs/dbraw/zinc/67/01/94/582670194.db2.gz CVZCRLGBBJMISB-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccsc1 ZINC000229695332 582670413 /nfs/dbraw/zinc/67/04/13/582670413.db2.gz CVZCRLGBBJMISB-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccsc1 ZINC000229695337 582670392 /nfs/dbraw/zinc/67/03/92/582670392.db2.gz CVZCRLGBBJMISB-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccsc1 ZINC000229695343 582670234 /nfs/dbraw/zinc/67/02/34/582670234.db2.gz CVZCRLGBBJMISB-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)CC1CCC1 ZINC000229699331 582670395 /nfs/dbraw/zinc/67/03/95/582670395.db2.gz LEXRYIOBRKCJMV-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)CC1CCC1 ZINC000229699339 582670409 /nfs/dbraw/zinc/67/04/09/582670409.db2.gz LEXRYIOBRKCJMV-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000229714859 372184600 /nfs/dbraw/zinc/18/46/00/372184600.db2.gz AHUWYSKSRZTDSF-CVEARBPZSA-N 1 0 227.351 3.932 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000229714873 372184088 /nfs/dbraw/zinc/18/40/88/372184088.db2.gz AHUWYSKSRZTDSF-HZPDHXFCSA-N 1 0 227.351 3.932 20 0 BHADRO C[N@H+]([C@H]1CCc2ccccc21)[C@@H]1C=CCCC1 ZINC000229715170 372184447 /nfs/dbraw/zinc/18/44/47/372184447.db2.gz JGHAETURACUPES-ZBFHGGJFSA-N 1 0 227.351 3.714 20 0 BHADRO CC(C)([NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000229813064 352500860 /nfs/dbraw/zinc/50/08/60/352500860.db2.gz RAYDFDWFDHILNI-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCC1(C[NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC000229815075 387198811 /nfs/dbraw/zinc/19/88/11/387198811.db2.gz BEAFQHRWDXBNPL-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000229815770 388800857 /nfs/dbraw/zinc/80/08/57/388800857.db2.gz AUJSYOPQTOUCHJ-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CC[C@@H]([NH3+])c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000229868180 640988767 /nfs/dbraw/zinc/98/87/67/640988767.db2.gz QYUWSGPFLKYXOW-CYBMUJFWSA-N 1 0 244.338 3.875 20 0 BHADRO CC[C@H]([NH3+])c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000229868184 640988299 /nfs/dbraw/zinc/98/82/99/640988299.db2.gz QYUWSGPFLKYXOW-ZDUSSCGKSA-N 1 0 244.338 3.875 20 0 BHADRO CSCCCCCCNc1cc(C)cc[nH+]1 ZINC000230097614 641026755 /nfs/dbraw/zinc/02/67/55/641026755.db2.gz CNNKLAXZTPLEKE-UHFFFAOYSA-N 1 0 238.400 3.725 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C=CCCC1 ZINC000230144619 259646446 /nfs/dbraw/zinc/64/64/46/259646446.db2.gz KEXSVWAMCHUBPA-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C=CCCC1 ZINC000230144630 388815955 /nfs/dbraw/zinc/81/59/55/388815955.db2.gz KEXSVWAMCHUBPA-HZSPNIEDSA-N 1 0 207.361 3.511 20 0 BHADRO CCC(CC)(CNc1cc(C)cc[nH+]1)SC ZINC000230148546 635482010 /nfs/dbraw/zinc/48/20/10/635482010.db2.gz XBXJVQMTSLDVAS-UHFFFAOYSA-N 1 0 238.400 3.724 20 0 BHADRO CSCCCCCC[NH2+]CC(C)(C)C ZINC000230149088 641032012 /nfs/dbraw/zinc/03/20/12/641032012.db2.gz XAAMFXDWAQTFDL-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO CC(C)([NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000230155731 325006639 /nfs/dbraw/zinc/00/66/39/325006639.db2.gz NNVLXXOCNGAAPQ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CC1(C)CC1 ZINC000230156273 387236345 /nfs/dbraw/zinc/23/63/45/387236345.db2.gz MPCXRHXIFYQKMW-UHFFFAOYSA-N 1 0 229.323 3.631 20 0 BHADRO CCCC1(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000230157060 388818188 /nfs/dbraw/zinc/81/81/88/388818188.db2.gz GFCALWBPFYLFMR-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCCC1(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000230157080 388818354 /nfs/dbraw/zinc/81/83/54/388818354.db2.gz LGIPJGJVUHGGLB-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000230157129 388818342 /nfs/dbraw/zinc/81/83/42/388818342.db2.gz URZZGDTUKIZLNF-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO CCCC1(C[NH2+]Cc2cccc(COC)c2)CC1 ZINC000230157334 387236965 /nfs/dbraw/zinc/23/69/65/387236965.db2.gz PFCCOPGZHJETBK-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CCCC1(C[NH2+]Cc2cccc(F)c2F)CC1 ZINC000230157409 325008331 /nfs/dbraw/zinc/00/83/31/325008331.db2.gz HPPCGLCXQBTFKO-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000230157465 259646354 /nfs/dbraw/zinc/64/63/54/259646354.db2.gz XKBCPJCCFANRAD-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000230157784 325007918 /nfs/dbraw/zinc/00/79/18/325007918.db2.gz PQUVSRXDALPETH-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000230157886 388817056 /nfs/dbraw/zinc/81/70/56/388817056.db2.gz KMQAYJNVDVLFDC-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCCC1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000230157906 259646371 /nfs/dbraw/zinc/64/63/71/259646371.db2.gz FVAPYFBFKZNAST-RMKNXTFCSA-N 1 0 229.367 3.870 20 0 BHADRO CCCC1(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000230157949 323176893 /nfs/dbraw/zinc/17/68/93/323176893.db2.gz MHMKLFMKXMPEQH-UHFFFAOYSA-N 1 0 239.309 3.635 20 0 BHADRO CCC1(CNC(=[NH2+])Nc2ccccc2)CCCC1 ZINC000230169678 641032071 /nfs/dbraw/zinc/03/20/71/641032071.db2.gz MTHDNMBNIMGYTA-UHFFFAOYSA-N 1 0 245.370 3.593 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC2(C)C)c(C)s1 ZINC000230196557 323195311 /nfs/dbraw/zinc/19/53/11/323195311.db2.gz NTEMDXRXXXCQMY-LBPRGKRZSA-N 1 0 223.385 3.501 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC2(C)C)c(C)s1 ZINC000230196561 323195307 /nfs/dbraw/zinc/19/53/07/323195307.db2.gz NTEMDXRXXXCQMY-GFCCVEGCSA-N 1 0 223.385 3.501 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C2CC2)c(C)s1 ZINC000230197577 325010844 /nfs/dbraw/zinc/01/08/44/325010844.db2.gz ACPKSOQADAVDRS-UHFFFAOYSA-N 1 0 223.385 3.643 20 0 BHADRO CCC1(C[NH2+]Cc2cc(C)sc2C)CC1 ZINC000230198183 325010675 /nfs/dbraw/zinc/01/06/75/325010675.db2.gz XLKWRWSGAXKIMP-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CCC2)c(C)s1 ZINC000230198200 325010736 /nfs/dbraw/zinc/01/07/36/325010736.db2.gz RVFOMWVLJIPFQL-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO CCC1(C[NH2+]Cc2cnn(C(C)C)c2)CCCC1 ZINC000230200031 535294503 /nfs/dbraw/zinc/29/45/03/535294503.db2.gz PMMJMIOTYQIUGR-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)([NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000230226658 350597601 /nfs/dbraw/zinc/59/76/01/350597601.db2.gz PTHIFYITORKZAF-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000230226814 259646987 /nfs/dbraw/zinc/64/69/87/259646987.db2.gz DYPHBPBBGBTAKR-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCC1 ZINC000230226820 388820981 /nfs/dbraw/zinc/82/09/81/388820981.db2.gz JLYHHLZILRIGKF-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCCC1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000230313211 388823686 /nfs/dbraw/zinc/82/36/86/388823686.db2.gz STTCFEBBHWIJES-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CC1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000230347613 387263192 /nfs/dbraw/zinc/26/31/92/387263192.db2.gz BASACVMRFUHWJI-UHFFFAOYSA-N 1 0 249.741 3.976 20 0 BHADRO CC1(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000230390372 388825798 /nfs/dbraw/zinc/82/57/98/388825798.db2.gz VWWFECLAUQFIIX-UHFFFAOYSA-N 1 0 249.785 3.976 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C1CCC(OC)CC1 ZINC000230390401 259647580 /nfs/dbraw/zinc/64/75/80/259647580.db2.gz YYBZLFRXIOPTGE-WLYUNCDWSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C1CCC(OC)CC1 ZINC000230390402 388825502 /nfs/dbraw/zinc/82/55/02/388825502.db2.gz YYBZLFRXIOPTGE-NFOMZHRRSA-N 1 0 241.419 3.893 20 0 BHADRO CCC1(C[NH2+]C2CCC(OC)CC2)CCCC1 ZINC000230390441 134508992 /nfs/dbraw/zinc/50/89/92/134508992.db2.gz GUTWSRVMSSTXPR-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COC1CCC([NH2+]CC2(C)CCCCC2)CC1 ZINC000230390526 259647451 /nfs/dbraw/zinc/64/74/51/259647451.db2.gz MWJYDSNCGCZMBU-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)CC(C)C ZINC000230391859 641049363 /nfs/dbraw/zinc/04/93/63/641049363.db2.gz RZPBFFYKSYUOOH-ZDUSSCGKSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)CC(C)C ZINC000230391862 641049678 /nfs/dbraw/zinc/04/96/78/641049678.db2.gz RZPBFFYKSYUOOH-CYBMUJFWSA-N 1 0 231.449 3.934 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000230395013 388826239 /nfs/dbraw/zinc/82/62/39/388826239.db2.gz FXZJRTRROWJSRN-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000230395019 259318744 /nfs/dbraw/zinc/31/87/44/259318744.db2.gz FXZJRTRROWJSRN-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO COC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000230395958 357534219 /nfs/dbraw/zinc/53/42/19/357534219.db2.gz NKSJOBUGZYFQPZ-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000230395962 357534001 /nfs/dbraw/zinc/53/40/01/357534001.db2.gz NKSJOBUGZYFQPZ-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000230395965 357533984 /nfs/dbraw/zinc/53/39/84/357533984.db2.gz NKSJOBUGZYFQPZ-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000230395969 357534159 /nfs/dbraw/zinc/53/41/59/357534159.db2.gz NKSJOBUGZYFQPZ-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000230396156 363306207 /nfs/dbraw/zinc/30/62/07/363306207.db2.gz GZWSJZWKHKRBDI-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000230396158 363306646 /nfs/dbraw/zinc/30/66/46/363306646.db2.gz GZWSJZWKHKRBDI-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCCC2)[C@@H](C)C1 ZINC000230396194 259319092 /nfs/dbraw/zinc/31/90/92/259319092.db2.gz XDMBCOFOBAYJKA-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000230396663 363306215 /nfs/dbraw/zinc/30/62/15/363306215.db2.gz RYTZEYJSRZQDPV-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000230396665 363305931 /nfs/dbraw/zinc/30/59/31/363305931.db2.gz RYTZEYJSRZQDPV-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000230401675 259647765 /nfs/dbraw/zinc/64/77/65/259647765.db2.gz ZBIRZJGNYQJSHP-HZSPNIEDSA-N 1 0 247.382 3.782 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c1 ZINC000230401680 388825951 /nfs/dbraw/zinc/82/59/51/388825951.db2.gz ZBIRZJGNYQJSHP-RDBSUJKOSA-N 1 0 247.382 3.782 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)o1 ZINC000230402853 134513104 /nfs/dbraw/zinc/51/31/04/134513104.db2.gz DYWKNJJAOYCYDH-KGYLQXTDSA-N 1 0 221.344 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)o1 ZINC000230402858 357538675 /nfs/dbraw/zinc/53/86/75/357538675.db2.gz DYWKNJJAOYCYDH-WXHSDQCUSA-N 1 0 221.344 3.675 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230403326 323215013 /nfs/dbraw/zinc/21/50/13/323215013.db2.gz YBLYDAVEPVPRKT-HZSPNIEDSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230403327 323214752 /nfs/dbraw/zinc/21/47/52/323214752.db2.gz YBLYDAVEPVPRKT-MGPQQGTHSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230403328 323214700 /nfs/dbraw/zinc/21/47/00/323214700.db2.gz YBLYDAVEPVPRKT-RDBSUJKOSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230403329 323214725 /nfs/dbraw/zinc/21/47/25/323214725.db2.gz YBLYDAVEPVPRKT-MCIONIFRSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000230403761 350602562 /nfs/dbraw/zinc/60/25/62/350602562.db2.gz IAUDRBHDVQPLBA-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000230403763 259647675 /nfs/dbraw/zinc/64/76/75/259647675.db2.gz IAUDRBHDVQPLBA-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000230403765 259647763 /nfs/dbraw/zinc/64/77/63/259647763.db2.gz IAUDRBHDVQPLBA-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000230403768 388825112 /nfs/dbraw/zinc/82/51/12/388825112.db2.gz IAUDRBHDVQPLBA-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccs1 ZINC000230404503 388826041 /nfs/dbraw/zinc/82/60/41/388826041.db2.gz HFPRJDYPTGTNDT-IJLUTSLNSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccs1 ZINC000230404506 388825422 /nfs/dbraw/zinc/82/54/22/388825422.db2.gz HFPRJDYPTGTNDT-GRYCIOLGSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccs1 ZINC000230404508 388825912 /nfs/dbraw/zinc/82/59/12/388825912.db2.gz HFPRJDYPTGTNDT-UTUOFQBUSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccs1 ZINC000230404511 388825887 /nfs/dbraw/zinc/82/58/87/388825887.db2.gz HFPRJDYPTGTNDT-WOPDTQHZSA-N 1 0 223.385 3.835 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230404575 388825329 /nfs/dbraw/zinc/82/53/29/388825329.db2.gz HEXZAURESOJFAH-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230404577 388826018 /nfs/dbraw/zinc/82/60/18/388826018.db2.gz HEXZAURESOJFAH-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000230404579 388825879 /nfs/dbraw/zinc/82/58/79/388825879.db2.gz HEXZAURESOJFAH-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000230404582 388826277 /nfs/dbraw/zinc/82/62/77/388826277.db2.gz HEXZAURESOJFAH-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000230404951 134514040 /nfs/dbraw/zinc/51/40/40/134514040.db2.gz GOTUSNACQLQYLN-CHWSQXEVSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000230404953 357539475 /nfs/dbraw/zinc/53/94/75/357539475.db2.gz GOTUSNACQLQYLN-QWHCGFSZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000230404957 357539499 /nfs/dbraw/zinc/53/94/99/357539499.db2.gz GOTUSNACQLQYLN-OLZOCXBDSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000230404961 134513826 /nfs/dbraw/zinc/51/38/26/134513826.db2.gz GOTUSNACQLQYLN-STQMWFEESA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000230405078 388825915 /nfs/dbraw/zinc/82/59/15/388825915.db2.gz PSDPATLWUXUOKU-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000230405082 388825199 /nfs/dbraw/zinc/82/51/99/388825199.db2.gz PSDPATLWUXUOKU-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCCCSC ZINC000230405260 641050659 /nfs/dbraw/zinc/05/06/59/641050659.db2.gz JERNTRDBOHZFEY-CHWSQXEVSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCCCSC ZINC000230405263 641049963 /nfs/dbraw/zinc/04/99/63/641049963.db2.gz JERNTRDBOHZFEY-QWHCGFSZSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCCCSC ZINC000230405265 641051030 /nfs/dbraw/zinc/05/10/30/641051030.db2.gz JERNTRDBOHZFEY-OLZOCXBDSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCCCSC ZINC000230405266 641051360 /nfs/dbraw/zinc/05/13/60/641051360.db2.gz JERNTRDBOHZFEY-STQMWFEESA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@@H]([NH2+]CCCCCCSC)C(C)C ZINC000230405738 641051603 /nfs/dbraw/zinc/05/16/03/641051603.db2.gz MXKJGNJQMBOKGV-CYBMUJFWSA-N 1 0 231.449 3.934 20 0 BHADRO CC[C@H]([NH2+]CCCCCCSC)C(C)C ZINC000230405741 641051095 /nfs/dbraw/zinc/05/10/95/641051095.db2.gz MXKJGNJQMBOKGV-ZDUSSCGKSA-N 1 0 231.449 3.934 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230407140 491129959 /nfs/dbraw/zinc/12/99/59/491129959.db2.gz DFGGMFMRLCXCJC-MBNYWOFBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230407142 491129963 /nfs/dbraw/zinc/12/99/63/491129963.db2.gz DFGGMFMRLCXCJC-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230407144 491129989 /nfs/dbraw/zinc/12/99/89/491129989.db2.gz DFGGMFMRLCXCJC-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230407145 491129946 /nfs/dbraw/zinc/12/99/46/491129946.db2.gz DFGGMFMRLCXCJC-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230407365 388825377 /nfs/dbraw/zinc/82/53/77/388825377.db2.gz ARIJGWQJTDDBSM-HZSPNIEDSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230407369 388825218 /nfs/dbraw/zinc/82/52/18/388825218.db2.gz ARIJGWQJTDDBSM-RDBSUJKOSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1 ZINC000230407488 388826085 /nfs/dbraw/zinc/82/60/85/388826085.db2.gz WSYUPCQHDZKPND-HZSPNIEDSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)cc1 ZINC000230407493 259647719 /nfs/dbraw/zinc/64/77/19/259647719.db2.gz WSYUPCQHDZKPND-RDBSUJKOSA-N 1 0 247.382 3.782 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000230407772 259647587 /nfs/dbraw/zinc/64/75/87/259647587.db2.gz DSOUGLAYPRVVDN-QBBMROGASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000230407773 388825464 /nfs/dbraw/zinc/82/54/64/388825464.db2.gz DSOUGLAYPRVVDN-HOBHPSKFSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000230407774 388825805 /nfs/dbraw/zinc/82/58/05/388825805.db2.gz DSOUGLAYPRVVDN-VBJONLRCSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000230407775 388825336 /nfs/dbraw/zinc/82/53/36/388825336.db2.gz DSOUGLAYPRVVDN-JCAIJIATSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1csc(Cl)c1 ZINC000230408627 388826069 /nfs/dbraw/zinc/82/60/69/388826069.db2.gz LUOBGVKYGBSLOO-CIUDSAMLSA-N 1 0 229.776 3.708 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1csc(Cl)c1 ZINC000230408635 259647677 /nfs/dbraw/zinc/64/76/77/259647677.db2.gz LUOBGVKYGBSLOO-XHNCKOQMSA-N 1 0 229.776 3.708 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1csc(Cl)c1 ZINC000230408676 363308842 /nfs/dbraw/zinc/30/88/42/363308842.db2.gz KZYDCPABBVYTDN-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1csc(Cl)c1 ZINC000230408679 363308306 /nfs/dbraw/zinc/30/83/06/363308306.db2.gz KZYDCPABBVYTDN-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000230409331 259648241 /nfs/dbraw/zinc/64/82/41/259648241.db2.gz VUPUETTWWXSZIB-MGPQQGTHSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000230409335 388826080 /nfs/dbraw/zinc/82/60/80/388826080.db2.gz VUPUETTWWXSZIB-HZSPNIEDSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000230409338 388825512 /nfs/dbraw/zinc/82/55/12/388825512.db2.gz VUPUETTWWXSZIB-MCIONIFRSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000230409341 388825322 /nfs/dbraw/zinc/82/53/22/388825322.db2.gz VUPUETTWWXSZIB-RDBSUJKOSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1csc(Cl)c1 ZINC000230410482 344648165 /nfs/dbraw/zinc/64/81/65/344648165.db2.gz YTVSULAHTWLZSH-MRVPVSSYSA-N 1 0 227.760 3.771 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1csc(Cl)c1 ZINC000230410486 344648177 /nfs/dbraw/zinc/64/81/77/344648177.db2.gz YTVSULAHTWLZSH-QMMMGPOBSA-N 1 0 227.760 3.771 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1csc(Cl)c1 ZINC000230410661 353493695 /nfs/dbraw/zinc/49/36/95/353493695.db2.gz YRXIDSQPNCSNMY-SSDOTTSWSA-N 1 0 215.749 3.605 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1csc(Cl)c1 ZINC000230410663 353493925 /nfs/dbraw/zinc/49/39/25/353493925.db2.gz YRXIDSQPNCSNMY-ZETCQYMHSA-N 1 0 215.749 3.605 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1csc(Cl)c1 ZINC000230410806 344648021 /nfs/dbraw/zinc/64/80/21/344648021.db2.gz PEGUBNLMUHOESC-VXNVDRBHSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1csc(Cl)c1 ZINC000230410810 353493821 /nfs/dbraw/zinc/49/38/21/353493821.db2.gz PEGUBNLMUHOESC-IONNQARKSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1csc(Cl)c1 ZINC000230410813 135533992 /nfs/dbraw/zinc/53/39/92/135533992.db2.gz PEGUBNLMUHOESC-APPZFPTMSA-N 1 0 247.816 3.558 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1csc(Cl)c1 ZINC000230410817 344648244 /nfs/dbraw/zinc/64/82/44/344648244.db2.gz PEGUBNLMUHOESC-CBAPKCEASA-N 1 0 247.816 3.558 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1csc(Cl)c1 ZINC000230410835 388826158 /nfs/dbraw/zinc/82/61/58/388826158.db2.gz WSRAUEUMWLQNQT-CCNFQMFXSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1csc(Cl)c1 ZINC000230410839 388825627 /nfs/dbraw/zinc/82/56/27/388825627.db2.gz WSRAUEUMWLQNQT-ZCUBBSJVSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1csc(Cl)c1 ZINC000230410843 363308354 /nfs/dbraw/zinc/30/83/54/363308354.db2.gz BCGBBPGPAWDGOS-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1csc(Cl)c1 ZINC000230410847 363308379 /nfs/dbraw/zinc/30/83/79/363308379.db2.gz BCGBBPGPAWDGOS-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000230411116 357541350 /nfs/dbraw/zinc/54/13/50/357541350.db2.gz RXPQTVUGRZPIGN-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000230411120 357540834 /nfs/dbraw/zinc/54/08/34/357540834.db2.gz RXPQTVUGRZPIGN-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000230411123 357541548 /nfs/dbraw/zinc/54/15/48/357541548.db2.gz RXPQTVUGRZPIGN-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000230411126 357541411 /nfs/dbraw/zinc/54/14/11/357541411.db2.gz RXPQTVUGRZPIGN-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc(C)c1O ZINC000230411201 388825286 /nfs/dbraw/zinc/82/52/86/388825286.db2.gz YAMDHWOAGIMWNT-BXUZGUMPSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc(C)c1O ZINC000230411204 388825848 /nfs/dbraw/zinc/82/58/48/388825848.db2.gz YAMDHWOAGIMWNT-RISCZKNCSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc(C)c1O ZINC000230411206 388825307 /nfs/dbraw/zinc/82/53/07/388825307.db2.gz YAMDHWOAGIMWNT-SMDDNHRTSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc(C)c1O ZINC000230411209 388825620 /nfs/dbraw/zinc/82/56/20/388825620.db2.gz YAMDHWOAGIMWNT-FZMZJTMJSA-N 1 0 247.382 3.535 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000230411742 363308726 /nfs/dbraw/zinc/30/87/26/363308726.db2.gz HBKWZFPDZFPXKQ-IJLUTSLNSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000230411744 363308297 /nfs/dbraw/zinc/30/82/97/363308297.db2.gz HBKWZFPDZFPXKQ-GRYCIOLGSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000230411746 363308243 /nfs/dbraw/zinc/30/82/43/363308243.db2.gz HBKWZFPDZFPXKQ-UTUOFQBUSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000230411749 363309929 /nfs/dbraw/zinc/30/99/29/363309929.db2.gz HBKWZFPDZFPXKQ-WOPDTQHZSA-N 1 0 223.385 3.835 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)cs1 ZINC000230411755 357541018 /nfs/dbraw/zinc/54/10/18/357541018.db2.gz VZSISJJIKXDFKK-JFGNBEQYSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)cs1 ZINC000230411761 357541554 /nfs/dbraw/zinc/54/15/54/357541554.db2.gz VZSISJJIKXDFKK-SCVCMEIPSA-N 1 0 238.400 3.538 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411902 357541231 /nfs/dbraw/zinc/54/12/31/357541231.db2.gz AUPWWYOTUXITTK-VXNVDRBHSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411905 357541100 /nfs/dbraw/zinc/54/11/00/357541100.db2.gz AUPWWYOTUXITTK-IONNQARKSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411909 357541297 /nfs/dbraw/zinc/54/12/97/357541297.db2.gz AUPWWYOTUXITTK-APPZFPTMSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411913 357541545 /nfs/dbraw/zinc/54/15/45/357541545.db2.gz AUPWWYOTUXITTK-CBAPKCEASA-N 1 0 229.776 3.851 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)s1 ZINC000230412999 363310035 /nfs/dbraw/zinc/31/00/35/363310035.db2.gz KQEDVXJWBGTZBZ-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)s1 ZINC000230413001 363310111 /nfs/dbraw/zinc/31/01/11/363310111.db2.gz KQEDVXJWBGTZBZ-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)s1 ZINC000230413003 363309933 /nfs/dbraw/zinc/30/99/33/363309933.db2.gz KQEDVXJWBGTZBZ-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)s1 ZINC000230413006 363309902 /nfs/dbraw/zinc/30/99/02/363309902.db2.gz KQEDVXJWBGTZBZ-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000230413213 134501813 /nfs/dbraw/zinc/50/18/13/134501813.db2.gz ATZKDFYWAOXVFH-YRGRVCCFSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000230413217 357522419 /nfs/dbraw/zinc/52/24/19/357522419.db2.gz ATZKDFYWAOXVFH-MBNYWOFBSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000230413432 357522854 /nfs/dbraw/zinc/52/28/54/357522854.db2.gz CIJDWPWPHZLABB-CHWSQXEVSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000230413436 357522734 /nfs/dbraw/zinc/52/27/34/357522734.db2.gz CIJDWPWPHZLABB-QWHCGFSZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000230413438 357522581 /nfs/dbraw/zinc/52/25/81/357522581.db2.gz CIJDWPWPHZLABB-OLZOCXBDSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000230413441 357522673 /nfs/dbraw/zinc/52/26/73/357522673.db2.gz CIJDWPWPHZLABB-STQMWFEESA-N 1 0 242.366 3.694 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000230413738 388825195 /nfs/dbraw/zinc/82/51/95/388825195.db2.gz UOCFPTYPUABZHT-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000230413740 388826203 /nfs/dbraw/zinc/82/62/03/388826203.db2.gz UOCFPTYPUABZHT-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO COC(C)(C)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000230414456 388825983 /nfs/dbraw/zinc/82/59/83/388825983.db2.gz FHUFSXHPDPOBSW-UHFFFAOYSA-N 1 0 229.408 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000230416110 641053792 /nfs/dbraw/zinc/05/37/92/641053792.db2.gz AJHZNSZYVHOTNE-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000230416112 641054108 /nfs/dbraw/zinc/05/41/08/641054108.db2.gz AJHZNSZYVHOTNE-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(C)(C)OC)cc1 ZINC000230416500 388825739 /nfs/dbraw/zinc/82/57/39/388825739.db2.gz USCIWNRWDNJOFZ-CYBMUJFWSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(C)(C)OC)cc1 ZINC000230416502 388825140 /nfs/dbraw/zinc/82/51/40/388825140.db2.gz USCIWNRWDNJOFZ-ZDUSSCGKSA-N 1 0 249.398 3.715 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccc(C)cc1 ZINC000230416573 535803296 /nfs/dbraw/zinc/80/32/96/535803296.db2.gz MJBVBKLWUMYCQX-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)OC)c1ccc(C)cc1 ZINC000230416575 535898671 /nfs/dbraw/zinc/89/86/71/535898671.db2.gz MJBVBKLWUMYCQX-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000230416587 134502010 /nfs/dbraw/zinc/50/20/10/134502010.db2.gz CQKHHBNRSSYFOQ-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000230416589 357523153 /nfs/dbraw/zinc/52/31/53/357523153.db2.gz CQKHHBNRSSYFOQ-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000230416718 357523139 /nfs/dbraw/zinc/52/31/39/357523139.db2.gz VCICWROCZIAYTQ-CQSZACIVSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000230416720 357523383 /nfs/dbraw/zinc/52/33/83/357523383.db2.gz VCICWROCZIAYTQ-AWEZNQCLSA-N 1 0 235.371 3.542 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000230416812 388827644 /nfs/dbraw/zinc/82/76/44/388827644.db2.gz OMLHBRPZLGYCEK-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000230416815 388826770 /nfs/dbraw/zinc/82/67/70/388826770.db2.gz OMLHBRPZLGYCEK-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000230417080 388826714 /nfs/dbraw/zinc/82/67/14/388826714.db2.gz HBXGBUBGCSPOGA-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000230417082 388826672 /nfs/dbraw/zinc/82/66/72/388826672.db2.gz HBXGBUBGCSPOGA-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)OC)C1CCCCC1 ZINC000230417110 491130092 /nfs/dbraw/zinc/13/00/92/491130092.db2.gz TZVBRYDMPSICCO-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)OC)C1CCCCC1 ZINC000230417112 491130091 /nfs/dbraw/zinc/13/00/91/491130091.db2.gz TZVBRYDMPSICCO-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1cccs1 ZINC000230417205 259319908 /nfs/dbraw/zinc/31/99/08/259319908.db2.gz PTUYKNFACVBOST-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)OC)c1cccs1 ZINC000230417207 259320001 /nfs/dbraw/zinc/32/00/01/259320001.db2.gz PTUYKNFACVBOST-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000230417524 641053545 /nfs/dbraw/zinc/05/35/45/641053545.db2.gz FUSLIUBEUPQZKU-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000230417554 259320143 /nfs/dbraw/zinc/32/01/43/259320143.db2.gz SCIZJFLBEJBGIV-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000230417557 259320222 /nfs/dbraw/zinc/32/02/22/259320222.db2.gz SCIZJFLBEJBGIV-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000230417560 259320402 /nfs/dbraw/zinc/32/04/02/259320402.db2.gz SCIZJFLBEJBGIV-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000230417562 259320145 /nfs/dbraw/zinc/32/01/45/259320145.db2.gz SCIZJFLBEJBGIV-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000230418320 259648170 /nfs/dbraw/zinc/64/81/70/259648170.db2.gz ZNPGTBPJODXVKA-LTVAEWHBSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000230418325 259320300 /nfs/dbraw/zinc/32/03/00/259320300.db2.gz ZNPGTBPJODXVKA-ZTHSPGPESA-N 1 0 229.367 3.726 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000230614987 388827142 /nfs/dbraw/zinc/82/71/42/388827142.db2.gz OPBGBOXSSURVMR-NSHDSACASA-N 1 0 223.385 3.982 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc(C)sc1C ZINC000230615001 259323143 /nfs/dbraw/zinc/32/31/43/259323143.db2.gz OPBGBOXSSURVMR-LLVKDONJSA-N 1 0 223.385 3.982 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000230615066 491130351 /nfs/dbraw/zinc/13/03/51/491130351.db2.gz UFRRVOANFFGNPD-PORFMDCZSA-N 1 0 209.358 3.592 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(C)sc1C ZINC000230615076 491130405 /nfs/dbraw/zinc/13/04/05/491130405.db2.gz UFRRVOANFFGNPD-BRAIEQGRSA-N 1 0 209.358 3.592 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000230619502 358408421 /nfs/dbraw/zinc/40/84/21/358408421.db2.gz UMEARSVYCZFCHJ-LBPRGKRZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000230619508 358408882 /nfs/dbraw/zinc/40/88/82/358408882.db2.gz UMEARSVYCZFCHJ-GFCCVEGCSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)([NH2+]CCC1CCCCC1)C1CC1 ZINC000230619704 358408839 /nfs/dbraw/zinc/40/88/39/358408839.db2.gz YTKDIZSYIXMKDR-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000230631308 491130508 /nfs/dbraw/zinc/13/05/08/491130508.db2.gz MCSFRAOVNPOHOL-RTMURIBGSA-N 1 0 215.749 3.628 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000230631316 491130496 /nfs/dbraw/zinc/13/04/96/491130496.db2.gz MCSFRAOVNPOHOL-MPJRPATESA-N 1 0 215.749 3.628 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(C)cc1 ZINC000230635523 388826911 /nfs/dbraw/zinc/82/69/11/388826911.db2.gz GBJVRIKWETWZBK-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000230635739 259648178 /nfs/dbraw/zinc/64/81/78/259648178.db2.gz XYMOIOXNQOWUQD-CYBMUJFWSA-N 1 0 219.372 3.816 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000230635749 388827568 /nfs/dbraw/zinc/82/75/68/388827568.db2.gz XYMOIOXNQOWUQD-ZDUSSCGKSA-N 1 0 219.372 3.816 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000230635962 388827721 /nfs/dbraw/zinc/82/77/21/388827721.db2.gz MDNAUGJMOSGCMS-OAHLLOKOSA-N 1 0 231.383 3.570 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000230635970 388827869 /nfs/dbraw/zinc/82/78/69/388827869.db2.gz MDNAUGJMOSGCMS-HNNXBMFYSA-N 1 0 231.383 3.570 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccccc1C ZINC000230636227 388827086 /nfs/dbraw/zinc/82/70/86/388827086.db2.gz PORURPYJZBAEAT-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO Cc1cnc([C@@H](C)N[C@@H](C)c2cc(C)oc2C)o1 ZINC000230636643 353513423 /nfs/dbraw/zinc/51/34/23/353513423.db2.gz ZKXWOOQUDCRDER-WDEREUQCSA-N 1 0 248.326 3.605 20 0 BHADRO Cc1cnc([C@H](C)N[C@@H](C)c2cc(C)oc2C)o1 ZINC000230636650 353513593 /nfs/dbraw/zinc/51/35/93/353513593.db2.gz ZKXWOOQUDCRDER-QWRGUYRKSA-N 1 0 248.326 3.605 20 0 BHADRO Cc1cnc([C@@H](C)N[C@H](C)c2cc(C)oc2C)o1 ZINC000230636655 353513654 /nfs/dbraw/zinc/51/36/54/353513654.db2.gz ZKXWOOQUDCRDER-GHMZBOCLSA-N 1 0 248.326 3.605 20 0 BHADRO Cc1cnc([C@H](C)N[C@H](C)c2cc(C)oc2C)o1 ZINC000230636662 353513590 /nfs/dbraw/zinc/51/35/90/353513590.db2.gz ZKXWOOQUDCRDER-MNOVXSKESA-N 1 0 248.326 3.605 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000230637393 641075797 /nfs/dbraw/zinc/07/57/97/641075797.db2.gz WVHZTTZRISUDHI-NSHDSACASA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000230637399 641075823 /nfs/dbraw/zinc/07/58/23/641075823.db2.gz WVHZTTZRISUDHI-LLVKDONJSA-N 1 0 246.379 3.913 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cccc(C)c1 ZINC000230638464 388827953 /nfs/dbraw/zinc/82/79/53/388827953.db2.gz RXEMUSPAYGMJSC-UHFFFAOYSA-N 1 0 205.345 3.521 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000230638823 388827988 /nfs/dbraw/zinc/82/79/88/388827988.db2.gz UYEZXIYGLBOUQL-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000230642552 388826891 /nfs/dbraw/zinc/82/68/91/388826891.db2.gz MXRBWNSXTPQTPF-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO CCOc1cccc(C[NH2+]CC(C)(C)CC)c1 ZINC000230642794 388827981 /nfs/dbraw/zinc/82/79/81/388827981.db2.gz NYCLEXJTCYVRGS-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(C)s1 ZINC000230642888 388826837 /nfs/dbraw/zinc/82/68/37/388826837.db2.gz ZCPYGDMDJJCQAP-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CCOc1ccccc1C[NH2+]CC(C)(C)CC ZINC000230645908 259648688 /nfs/dbraw/zinc/64/86/88/259648688.db2.gz VLJRDWVLNDRNTM-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(SC)cc1 ZINC000230647246 259648490 /nfs/dbraw/zinc/64/84/90/259648490.db2.gz YBKUBBSBGDNGOE-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO CCOc1ccc(C[NH2+]CC(C)(C)CC)cc1 ZINC000230647606 388827608 /nfs/dbraw/zinc/82/76/08/388827608.db2.gz QMCAPACPSKUYQF-UHFFFAOYSA-N 1 0 235.371 3.611 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1sccc1C ZINC000230648206 363315815 /nfs/dbraw/zinc/31/58/15/363315815.db2.gz WUBGTHDTNLAEOH-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000230648922 388827361 /nfs/dbraw/zinc/82/73/61/388827361.db2.gz NICFEITUTULUFQ-YDHLFZDLSA-N 1 0 247.382 3.782 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000230648933 259648507 /nfs/dbraw/zinc/64/85/07/259648507.db2.gz NICFEITUTULUFQ-KCQAQPDRSA-N 1 0 247.382 3.782 20 0 BHADRO COCCCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000230650303 388827909 /nfs/dbraw/zinc/82/79/09/388827909.db2.gz QFKHEFYZXODPNZ-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000230651724 259648561 /nfs/dbraw/zinc/64/85/61/259648561.db2.gz PZEHBUMZAXZQCG-UHFFFAOYSA-N 1 0 235.371 3.535 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)o1 ZINC000230651856 388826885 /nfs/dbraw/zinc/82/68/85/388826885.db2.gz KKYMEYRJTGOQJQ-DRZSPHRISA-N 1 0 221.344 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)o1 ZINC000230651869 388826904 /nfs/dbraw/zinc/82/69/04/388826904.db2.gz KKYMEYRJTGOQJQ-WCFLWFBJSA-N 1 0 221.344 3.675 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230652814 358408816 /nfs/dbraw/zinc/40/88/16/358408816.db2.gz XGCBCIPGKWLLRW-MJBXVCDLSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230652825 358408676 /nfs/dbraw/zinc/40/86/76/358408676.db2.gz XGCBCIPGKWLLRW-BFHYXJOUSA-N 1 0 235.371 3.627 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230655155 259323183 /nfs/dbraw/zinc/32/31/83/259323183.db2.gz FCTQICILUZMMBC-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230655159 259323199 /nfs/dbraw/zinc/32/31/99/259323199.db2.gz FCTQICILUZMMBC-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCC[C@H]1C ZINC000230655163 259323193 /nfs/dbraw/zinc/32/31/93/259323193.db2.gz FCTQICILUZMMBC-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCC[C@H]1C ZINC000230655168 259323530 /nfs/dbraw/zinc/32/35/30/259323530.db2.gz FCTQICILUZMMBC-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccs1 ZINC000230655250 388827153 /nfs/dbraw/zinc/82/71/53/388827153.db2.gz OSFNMUMKULWLBL-SRVKXCTJSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cccs1 ZINC000230655257 259648462 /nfs/dbraw/zinc/64/84/62/259648462.db2.gz OSFNMUMKULWLBL-SDDRHHMPSA-N 1 0 223.385 3.835 20 0 BHADRO CCC(C)(C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000230656734 259648572 /nfs/dbraw/zinc/64/85/72/259648572.db2.gz MOMGBBWZRMQSQF-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230657200 388829723 /nfs/dbraw/zinc/82/97/23/388829723.db2.gz PNBOBRQGRQSGOT-TZMCWYRMSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230657204 388828447 /nfs/dbraw/zinc/82/84/47/388828447.db2.gz PNBOBRQGRQSGOT-GXTWGEPZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230657210 259648479 /nfs/dbraw/zinc/64/84/79/259648479.db2.gz PNBOBRQGRQSGOT-OCCSQVGLSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230657213 388829007 /nfs/dbraw/zinc/82/90/07/388829007.db2.gz PNBOBRQGRQSGOT-JSGCOSHPSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230659164 491130560 /nfs/dbraw/zinc/13/05/60/491130560.db2.gz MDIHZXFKXDVFGA-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230659169 491130554 /nfs/dbraw/zinc/13/05/54/491130554.db2.gz MDIHZXFKXDVFGA-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230659504 388828835 /nfs/dbraw/zinc/82/88/35/388828835.db2.gz JDIZJMRPFHRIBL-IHRRRGAJSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230659508 388829403 /nfs/dbraw/zinc/82/94/03/388829403.db2.gz JDIZJMRPFHRIBL-MELADBBJSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)cc1 ZINC000230659552 388828742 /nfs/dbraw/zinc/82/87/42/388828742.db2.gz KDLZRDPKBLLEEL-YDHLFZDLSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)cc1 ZINC000230659557 259648458 /nfs/dbraw/zinc/64/84/58/259648458.db2.gz KDLZRDPKBLLEEL-KCQAQPDRSA-N 1 0 247.382 3.782 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000230659958 388829610 /nfs/dbraw/zinc/82/96/10/388829610.db2.gz RJZNJXMXFJCTEZ-PMRDFSHISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000230659962 388828651 /nfs/dbraw/zinc/82/86/51/388828651.db2.gz RJZNJXMXFJCTEZ-DFULUXCASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000230659967 388828669 /nfs/dbraw/zinc/82/86/69/388828669.db2.gz RJZNJXMXFJCTEZ-XNGJBWTFSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000230659970 259648617 /nfs/dbraw/zinc/64/86/17/259648617.db2.gz RJZNJXMXFJCTEZ-OBTMHIKCSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000230660116 388829360 /nfs/dbraw/zinc/82/93/60/388829360.db2.gz NURPHNOEHJLFAG-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000230660121 388828949 /nfs/dbraw/zinc/82/89/49/388828949.db2.gz NURPHNOEHJLFAG-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000230660177 388828657 /nfs/dbraw/zinc/82/86/57/388828657.db2.gz PRUIHSXQSHTTDX-CPCZMJQVSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CC2(C)C)CC1 ZINC000230660179 388829520 /nfs/dbraw/zinc/82/95/20/388829520.db2.gz PRUIHSXQSHTTDX-OTTFEQOBSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000230660184 259648455 /nfs/dbraw/zinc/64/84/55/259648455.db2.gz MFEFMUHYBDBSMU-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000230660193 388829111 /nfs/dbraw/zinc/82/91/11/388829111.db2.gz MFEFMUHYBDBSMU-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C/c1ccccc1 ZINC000230660212 388829055 /nfs/dbraw/zinc/82/90/55/388829055.db2.gz OCXDTKQKRDRBNB-DHZHZOJOSA-N 1 0 217.356 3.726 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1coc2ccccc12 ZINC000230660899 388829027 /nfs/dbraw/zinc/82/90/27/388829027.db2.gz PTOBCBMXGZVSPL-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000230661485 388829628 /nfs/dbraw/zinc/82/96/28/388829628.db2.gz WDEKDMQLQGZHCN-YDHLFZDLSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000230661491 388829644 /nfs/dbraw/zinc/82/96/44/388829644.db2.gz WDEKDMQLQGZHCN-KCQAQPDRSA-N 1 0 217.356 3.773 20 0 BHADRO c1ccc2c(c1)CC[C@@H](C[NH2+]C1CCCCC1)C2 ZINC000230662582 369453443 /nfs/dbraw/zinc/45/34/43/369453443.db2.gz RZMLWJLNHVNJGF-CQSZACIVSA-N 1 0 243.394 3.714 20 0 BHADRO c1ccc2c(c1)CC[C@H](C[NH2+]C1CCCCC1)C2 ZINC000230662586 369453574 /nfs/dbraw/zinc/45/35/74/369453574.db2.gz RZMLWJLNHVNJGF-AWEZNQCLSA-N 1 0 243.394 3.714 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc(C)c1O ZINC000230663832 388828505 /nfs/dbraw/zinc/82/85/05/388828505.db2.gz HUPZRPHLYGYJFR-NHYWBVRUSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc(C)c1O ZINC000230663838 388829613 /nfs/dbraw/zinc/82/96/13/388829613.db2.gz HUPZRPHLYGYJFR-XHDPSFHLSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc(C)c1O ZINC000230663841 259648759 /nfs/dbraw/zinc/64/87/59/259648759.db2.gz HUPZRPHLYGYJFR-ABAIWWIYSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2C)cc(C)c1O ZINC000230663846 259648746 /nfs/dbraw/zinc/64/87/46/259648746.db2.gz HUPZRPHLYGYJFR-IAQYHMDHSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)cs1 ZINC000230664017 357546893 /nfs/dbraw/zinc/54/68/93/357546893.db2.gz UNZXIJGDLJMHDY-NHCYSSNCSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)cs1 ZINC000230664023 357546797 /nfs/dbraw/zinc/54/67/97/357546797.db2.gz UNZXIJGDLJMHDY-JBLDHEPKSA-N 1 0 238.400 3.538 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccsc1 ZINC000230664497 388829170 /nfs/dbraw/zinc/82/91/70/388829170.db2.gz HYPAPXJYHXIIAH-SRVKXCTJSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccsc1 ZINC000230664506 259649469 /nfs/dbraw/zinc/64/94/69/259649469.db2.gz HYPAPXJYHXIIAH-SDDRHHMPSA-N 1 0 223.385 3.835 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)s1 ZINC000230665987 259648907 /nfs/dbraw/zinc/64/89/07/259648907.db2.gz LLJDDPIOHQJXTG-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)s1 ZINC000230665992 387270544 /nfs/dbraw/zinc/27/05/44/387270544.db2.gz LLJDDPIOHQJXTG-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)s1 ZINC000230665995 388829728 /nfs/dbraw/zinc/82/97/28/388829728.db2.gz LLJDDPIOHQJXTG-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)s1 ZINC000230665999 259649521 /nfs/dbraw/zinc/64/95/21/259649521.db2.gz LLJDDPIOHQJXTG-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000230666782 388829273 /nfs/dbraw/zinc/82/92/73/388829273.db2.gz HJMYHPDJGUMPRX-CHWSQXEVSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000230666786 388829564 /nfs/dbraw/zinc/82/95/64/388829564.db2.gz HJMYHPDJGUMPRX-QWHCGFSZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000230666787 388829093 /nfs/dbraw/zinc/82/90/93/388829093.db2.gz HJMYHPDJGUMPRX-OLZOCXBDSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000230666790 388829279 /nfs/dbraw/zinc/82/92/79/388829279.db2.gz HJMYHPDJGUMPRX-STQMWFEESA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000230667138 357547302 /nfs/dbraw/zinc/54/73/02/357547302.db2.gz GGOQLGOJQMEMBB-YRGRVCCFSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000230667146 357547307 /nfs/dbraw/zinc/54/73/07/357547307.db2.gz GGOQLGOJQMEMBB-MBNYWOFBSA-N 1 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247.382 3.541 20 0 BHADRO COC1CC([NH2+][C@H](CC(C)C)c2ccccc2)C1 ZINC000230673436 357548427 /nfs/dbraw/zinc/54/84/27/357548427.db2.gz IEACOENBZFTGNZ-UYSNPLJNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)([NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000230673646 323397007 /nfs/dbraw/zinc/39/70/07/323397007.db2.gz AUKUYGNIECQJFZ-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CC(C)([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000230673765 323398289 /nfs/dbraw/zinc/39/82/89/323398289.db2.gz VZANKXLHQKOLFL-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000230673904 323398215 /nfs/dbraw/zinc/39/82/15/323398215.db2.gz XZETZGFSWKAAAT-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000230673977 323398452 /nfs/dbraw/zinc/39/84/52/323398452.db2.gz BVNKBRMEAUAACF-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230674008 323398360 /nfs/dbraw/zinc/39/83/60/323398360.db2.gz NFWKPLPHTKKKPZ-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO CC(C)([NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000230674043 323397885 /nfs/dbraw/zinc/39/78/85/323397885.db2.gz AQADWMJQWURYBF-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000230674075 323397902 /nfs/dbraw/zinc/39/79/02/323397902.db2.gz IDYAGIXRFTZXEX-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)C2CC2)c1C ZINC000230674202 323399135 /nfs/dbraw/zinc/39/91/35/323399135.db2.gz LNMUAZBOAPUFMH-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CCCOc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230674242 323399259 /nfs/dbraw/zinc/39/92/59/323399259.db2.gz GBVBARFIAWWWDS-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000230674330 323398747 /nfs/dbraw/zinc/39/87/47/323398747.db2.gz LWDGIHYGQGPXNI-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000230674417 323399010 /nfs/dbraw/zinc/39/90/10/323399010.db2.gz GFEKYZITWJVHAT-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230674565 323399051 /nfs/dbraw/zinc/39/90/51/323399051.db2.gz IQKLWQADOIEFMO-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO CC(C)([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000230674620 323398979 /nfs/dbraw/zinc/39/89/79/323398979.db2.gz VYRLKXIIWXLKAE-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C2CC2)cc1C ZINC000230674641 350605785 /nfs/dbraw/zinc/60/57/85/350605785.db2.gz NLGOFJHZKMUZEO-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CCCOc1cccc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000230674661 350606049 /nfs/dbraw/zinc/60/60/49/350606049.db2.gz YATHHLMVKSASMZ-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000230674883 323399331 /nfs/dbraw/zinc/39/93/31/323399331.db2.gz ZURAZXSBPQTZFJ-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230674906 323399340 /nfs/dbraw/zinc/39/93/40/323399340.db2.gz OJWPKQFRNBTASE-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C2CC2)c(C)c1 ZINC000230675023 323398921 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ZINC000230696996 641083779 /nfs/dbraw/zinc/08/37/79/641083779.db2.gz BOUDPQUMQNODFZ-LSDHHAIUSA-N 1 0 249.423 3.623 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1 ZINC000230696999 641085439 /nfs/dbraw/zinc/08/54/39/641085439.db2.gz BOUDPQUMQNODFZ-CABCVRRESA-N 1 0 249.423 3.623 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1 ZINC000230697003 641085383 /nfs/dbraw/zinc/08/53/83/641085383.db2.gz BOUDPQUMQNODFZ-GJZGRUSLSA-N 1 0 249.423 3.623 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000230697481 641085346 /nfs/dbraw/zinc/08/53/46/641085346.db2.gz ZJCADDPWIDVKNE-HUUCEWRRSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000230697484 641083656 /nfs/dbraw/zinc/08/36/56/641083656.db2.gz ZJCADDPWIDVKNE-CABCVRRESA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000230697489 641084210 /nfs/dbraw/zinc/08/42/10/641084210.db2.gz ZJCADDPWIDVKNE-LSDHHAIUSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000230697493 641084576 /nfs/dbraw/zinc/08/45/76/641084576.db2.gz ZJCADDPWIDVKNE-GJZGRUSLSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000230698079 641084456 /nfs/dbraw/zinc/08/44/56/641084456.db2.gz OOQISCPTKYGFCL-HUUCEWRRSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000230698082 641085300 /nfs/dbraw/zinc/08/53/00/641085300.db2.gz OOQISCPTKYGFCL-CABCVRRESA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000230698084 641084369 /nfs/dbraw/zinc/08/43/69/641084369.db2.gz OOQISCPTKYGFCL-LSDHHAIUSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000230698088 641085327 /nfs/dbraw/zinc/08/53/27/641085327.db2.gz OOQISCPTKYGFCL-GJZGRUSLSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000230698580 641085638 /nfs/dbraw/zinc/08/56/38/641085638.db2.gz NWYREOBURGJHKO-HUUCEWRRSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000230698585 641084194 /nfs/dbraw/zinc/08/41/94/641084194.db2.gz NWYREOBURGJHKO-CABCVRRESA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000230698588 641083687 /nfs/dbraw/zinc/08/36/87/641083687.db2.gz NWYREOBURGJHKO-LSDHHAIUSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000230698593 641085574 /nfs/dbraw/zinc/08/55/74/641085574.db2.gz NWYREOBURGJHKO-GJZGRUSLSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000230698920 636048382 /nfs/dbraw/zinc/04/83/82/636048382.db2.gz RBLHWKSLSQOIAN-VZLFFANISA-N 1 0 247.407 3.574 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000230698928 641084042 /nfs/dbraw/zinc/08/40/42/641084042.db2.gz RBLHWKSLSQOIAN-YKHJJTLOSA-N 1 0 247.407 3.574 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000230699462 641084436 /nfs/dbraw/zinc/08/44/36/641084436.db2.gz PLAXZJRRSACUNQ-HUUCEWRRSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000230699466 641084072 /nfs/dbraw/zinc/08/40/72/641084072.db2.gz PLAXZJRRSACUNQ-CABCVRRESA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000230699471 641084303 /nfs/dbraw/zinc/08/43/03/641084303.db2.gz PLAXZJRRSACUNQ-LSDHHAIUSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000230699476 641084838 /nfs/dbraw/zinc/08/48/38/641084838.db2.gz PLAXZJRRSACUNQ-GJZGRUSLSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000230699484 641085158 /nfs/dbraw/zinc/08/51/58/641085158.db2.gz DAQZDOVRLWTAKO-HUUCEWRRSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000230699489 641085007 /nfs/dbraw/zinc/08/50/07/641085007.db2.gz DAQZDOVRLWTAKO-CABCVRRESA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000230699494 641085605 /nfs/dbraw/zinc/08/56/05/641085605.db2.gz DAQZDOVRLWTAKO-LSDHHAIUSA-N 1 0 249.423 3.677 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000230699499 641085343 /nfs/dbraw/zinc/08/53/43/641085343.db2.gz DAQZDOVRLWTAKO-GJZGRUSLSA-N 1 0 249.423 3.677 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000230707422 323522084 /nfs/dbraw/zinc/52/20/84/323522084.db2.gz GVUBWXYOVNWWHM-UHFFFAOYSA-N 1 0 247.357 3.660 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000230764675 322914912 /nfs/dbraw/zinc/91/49/12/322914912.db2.gz GMRAICSBXNYWHX-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000230764678 384422333 /nfs/dbraw/zinc/42/23/33/384422333.db2.gz GMRAICSBXNYWHX-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000230764680 384423432 /nfs/dbraw/zinc/42/34/32/384423432.db2.gz GMRAICSBXNYWHX-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000230764683 322914884 /nfs/dbraw/zinc/91/48/84/322914884.db2.gz GMRAICSBXNYWHX-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000230765673 491130718 /nfs/dbraw/zinc/13/07/18/491130718.db2.gz BPPABXLWKNMBBB-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000230765675 491130696 /nfs/dbraw/zinc/13/06/96/491130696.db2.gz BPPABXLWKNMBBB-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000230765676 491130702 /nfs/dbraw/zinc/13/07/02/491130702.db2.gz BPPABXLWKNMBBB-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000230765678 491130719 /nfs/dbraw/zinc/13/07/19/491130719.db2.gz BPPABXLWKNMBBB-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230765726 259650020 /nfs/dbraw/zinc/65/00/20/259650020.db2.gz CHHVLXOXYFJKOM-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230765729 388830907 /nfs/dbraw/zinc/83/09/07/388830907.db2.gz CHHVLXOXYFJKOM-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000230765732 388831015 /nfs/dbraw/zinc/83/10/15/388831015.db2.gz CHHVLXOXYFJKOM-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000230765733 388830642 /nfs/dbraw/zinc/83/06/42/388830642.db2.gz CHHVLXOXYFJKOM-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000230766293 388830930 /nfs/dbraw/zinc/83/09/30/388830930.db2.gz JWIVQFUZHSWJMF-GOEBONIOSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000230766295 388830159 /nfs/dbraw/zinc/83/01/59/388830159.db2.gz JWIVQFUZHSWJMF-GDBMZVCRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000230766298 388831103 /nfs/dbraw/zinc/83/11/03/388831103.db2.gz JWIVQFUZHSWJMF-HOCLYGCPSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000230766299 388830599 /nfs/dbraw/zinc/83/05/99/388830599.db2.gz JWIVQFUZHSWJMF-ZBFHGGJFSA-N 1 0 246.398 3.776 20 0 BHADRO COCCCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230770876 388830874 /nfs/dbraw/zinc/83/08/74/388830874.db2.gz FKZOVJVXOQTGCZ-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230770879 388830458 /nfs/dbraw/zinc/83/04/58/388830458.db2.gz FKZOVJVXOQTGCZ-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000230770882 388830201 /nfs/dbraw/zinc/83/02/01/388830201.db2.gz FKZOVJVXOQTGCZ-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000230770884 388831038 /nfs/dbraw/zinc/83/10/38/388831038.db2.gz FKZOVJVXOQTGCZ-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230770911 388830446 /nfs/dbraw/zinc/83/04/46/388830446.db2.gz KLHQOSNTPPIVCP-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230770916 259649832 /nfs/dbraw/zinc/64/98/32/259649832.db2.gz KLHQOSNTPPIVCP-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CCC2)C1 ZINC000230771349 388830806 /nfs/dbraw/zinc/83/08/06/388830806.db2.gz LCFZAZRYYKLPIQ-GXTWGEPZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CCC2)C1 ZINC000230771350 388830700 /nfs/dbraw/zinc/83/07/00/388830700.db2.gz LCFZAZRYYKLPIQ-TZMCWYRMSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CCC2)C1 ZINC000230771353 388830811 /nfs/dbraw/zinc/83/08/11/388830811.db2.gz LCFZAZRYYKLPIQ-JSGCOSHPSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 ZINC000230771356 388830846 /nfs/dbraw/zinc/83/08/46/388830846.db2.gz LCFZAZRYYKLPIQ-OCCSQVGLSA-N 1 0 209.377 3.733 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230772051 352363134 /nfs/dbraw/zinc/36/31/34/352363134.db2.gz YEGHXAQEFBAFRR-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230772054 352363110 /nfs/dbraw/zinc/36/31/10/352363110.db2.gz YEGHXAQEFBAFRR-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000230772055 352362749 /nfs/dbraw/zinc/36/27/49/352362749.db2.gz YEGHXAQEFBAFRR-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000230772057 352362646 /nfs/dbraw/zinc/36/26/46/352362646.db2.gz YEGHXAQEFBAFRR-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230772377 259324741 /nfs/dbraw/zinc/32/47/41/259324741.db2.gz FAZKSRSPVDKATA-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230772383 259324743 /nfs/dbraw/zinc/32/47/43/259324743.db2.gz FAZKSRSPVDKATA-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC000230774843 388830828 /nfs/dbraw/zinc/83/08/28/388830828.db2.gz ARJLBFKQHVXMIN-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC000230774845 259650036 /nfs/dbraw/zinc/65/00/36/259650036.db2.gz ARJLBFKQHVXMIN-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCOC(C)C)C1 ZINC000230774847 388830666 /nfs/dbraw/zinc/83/06/66/388830666.db2.gz ARJLBFKQHVXMIN-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCOC(C)C)C1 ZINC000230774850 388830639 /nfs/dbraw/zinc/83/06/39/388830639.db2.gz ARJLBFKQHVXMIN-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230774852 388830331 /nfs/dbraw/zinc/83/03/31/388830331.db2.gz ZWGDRVUYRXQPQO-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230774854 388830475 /nfs/dbraw/zinc/83/04/75/388830475.db2.gz ZWGDRVUYRXQPQO-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000230774857 259650126 /nfs/dbraw/zinc/65/01/26/259650126.db2.gz ZWGDRVUYRXQPQO-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000230774859 388830881 /nfs/dbraw/zinc/83/08/81/388830881.db2.gz ZWGDRVUYRXQPQO-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000230775022 491101343 /nfs/dbraw/zinc/10/13/43/491101343.db2.gz FXWQHPICPNDELP-DZGCQCFKSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000230775023 491130709 /nfs/dbraw/zinc/13/07/09/491130709.db2.gz FXWQHPICPNDELP-UKRRQHHQSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 ZINC000230775026 491130720 /nfs/dbraw/zinc/13/07/20/491130720.db2.gz FXWQHPICPNDELP-ZFWWWQNUSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 ZINC000230775029 491130708 /nfs/dbraw/zinc/13/07/08/491130708.db2.gz FXWQHPICPNDELP-HIFRSBDPSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000230775806 388830911 /nfs/dbraw/zinc/83/09/11/388830911.db2.gz SRQSKRSCDGINSV-BFHYXJOUSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000230775811 259649921 /nfs/dbraw/zinc/64/99/21/259649921.db2.gz SRQSKRSCDGINSV-MELADBBJSA-N 1 0 241.444 3.686 20 0 BHADRO CC[NH+](CC)CCSc1cccc(Cl)c1 ZINC000230841847 345752201 /nfs/dbraw/zinc/75/22/01/345752201.db2.gz GQQVQGDYVUOVJT-UHFFFAOYSA-N 1 0 243.803 3.774 20 0 BHADRO COCCC(C)(C)C[NH2+]CC1CCCCCC1 ZINC000230865743 388832219 /nfs/dbraw/zinc/83/22/19/388832219.db2.gz TZFWRUNQMHWTGO-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000230866320 259650152 /nfs/dbraw/zinc/65/01/52/259650152.db2.gz DXIFGXHDWDZYST-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000230866329 388832596 /nfs/dbraw/zinc/83/25/96/388832596.db2.gz DXIFGXHDWDZYST-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000230866336 388832595 /nfs/dbraw/zinc/83/25/95/388832595.db2.gz DXIFGXHDWDZYST-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000230866347 388832308 /nfs/dbraw/zinc/83/23/08/388832308.db2.gz DXIFGXHDWDZYST-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+]C1CCC(C)(C)CC1 ZINC000230867288 388832586 /nfs/dbraw/zinc/83/25/86/388832586.db2.gz XMSHLVMUFVTUFQ-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC1CCC([NH2+]CC(C)(C)CCOC)CC1 ZINC000230867437 259649899 /nfs/dbraw/zinc/64/98/99/259649899.db2.gz LQGXBKDRFQUAJT-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC(CCC)[NH2+]CC(C)(C)CCOC ZINC000230896043 388832341 /nfs/dbraw/zinc/83/23/41/388832341.db2.gz SZNOCGVEFVPERM-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+]C1CCCCCCC1 ZINC000230896062 641116121 /nfs/dbraw/zinc/11/61/21/641116121.db2.gz YRHSNDPXTOOKPF-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(C)(C)CCOC ZINC000230896498 385765490 /nfs/dbraw/zinc/76/54/90/385765490.db2.gz DHIPZNCTBNZVDJ-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(C)(C)CCOC ZINC000230896501 388832609 /nfs/dbraw/zinc/83/26/09/388832609.db2.gz DHIPZNCTBNZVDJ-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000230896670 358411389 /nfs/dbraw/zinc/41/13/89/358411389.db2.gz BSDXHEMOOGPTQO-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H]1CCCCC1(C)C ZINC000230896673 358411888 /nfs/dbraw/zinc/41/18/88/358411888.db2.gz BSDXHEMOOGPTQO-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC000230937881 357579718 /nfs/dbraw/zinc/57/97/18/357579718.db2.gz MVNRWBOGAGPQJK-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC000230937884 134535560 /nfs/dbraw/zinc/53/55/60/134535560.db2.gz MVNRWBOGAGPQJK-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1cncc(F)c1 ZINC000230937989 259650273 /nfs/dbraw/zinc/65/02/73/259650273.db2.gz ULJWECQORWMJGU-GFCCVEGCSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1cncc(F)c1 ZINC000230937993 385769585 /nfs/dbraw/zinc/76/95/85/385769585.db2.gz ULJWECQORWMJGU-LBPRGKRZSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cncc(F)c1 ZINC000230941446 259650320 /nfs/dbraw/zinc/65/03/20/259650320.db2.gz LPWOSEGRVRUURZ-CQSZACIVSA-N 1 0 238.350 3.669 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cncc(F)c1 ZINC000230941450 259650531 /nfs/dbraw/zinc/65/05/31/259650531.db2.gz LPWOSEGRVRUURZ-AWEZNQCLSA-N 1 0 238.350 3.669 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000230953392 323101096 /nfs/dbraw/zinc/10/10/96/323101096.db2.gz SXKQOOZSYAPHME-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000230953681 384460653 /nfs/dbraw/zinc/46/06/53/384460653.db2.gz XCTBWLKXGNNHKU-UHFFFAOYSA-N 1 0 235.371 3.677 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000230955748 358413742 /nfs/dbraw/zinc/41/37/42/358413742.db2.gz BIAILRPYJSWIPI-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]CCSCC ZINC000230977520 388831974 /nfs/dbraw/zinc/83/19/74/388831974.db2.gz IIIHXLPBJYWGCA-GFCCVEGCSA-N 1 0 217.422 3.546 20 0 BHADRO CCCC[C@H](CC)C[NH2+]CCSCC ZINC000230977522 388832078 /nfs/dbraw/zinc/83/20/78/388832078.db2.gz IIIHXLPBJYWGCA-LBPRGKRZSA-N 1 0 217.422 3.546 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230987445 388834055 /nfs/dbraw/zinc/83/40/55/388834055.db2.gz PXQZPJKYOKPXBH-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230987448 259650176 /nfs/dbraw/zinc/65/01/76/259650176.db2.gz PXQZPJKYOKPXBH-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230987450 259650173 /nfs/dbraw/zinc/65/01/73/259650173.db2.gz PXQZPJKYOKPXBH-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230987453 388833846 /nfs/dbraw/zinc/83/38/46/388833846.db2.gz PXQZPJKYOKPXBH-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000230988030 387273830 /nfs/dbraw/zinc/27/38/30/387273830.db2.gz VVWBDOQCHRCWEJ-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000230988033 259650420 /nfs/dbraw/zinc/65/04/20/259650420.db2.gz VVWBDOQCHRCWEJ-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000230988035 388833563 /nfs/dbraw/zinc/83/35/63/388833563.db2.gz VVWBDOQCHRCWEJ-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000230988038 388834232 /nfs/dbraw/zinc/83/42/32/388834232.db2.gz VVWBDOQCHRCWEJ-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000230988171 388833265 /nfs/dbraw/zinc/83/32/65/388833265.db2.gz NZAHPFITPHROAJ-ZIAGYGMSSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000230988173 259650169 /nfs/dbraw/zinc/65/01/69/259650169.db2.gz NZAHPFITPHROAJ-UONOGXRCSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCc2ccco2)C1 ZINC000230988176 388833249 /nfs/dbraw/zinc/83/32/49/388833249.db2.gz NZAHPFITPHROAJ-KGLIPLIRSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCc2ccco2)C1 ZINC000230988178 388833083 /nfs/dbraw/zinc/83/30/83/388833083.db2.gz NZAHPFITPHROAJ-KBPBESRZSA-N 1 0 235.371 3.627 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000230993857 323876727 /nfs/dbraw/zinc/87/67/27/323876727.db2.gz MVKGESAXYUULAC-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000230993860 388043084 /nfs/dbraw/zinc/04/30/84/388043084.db2.gz MVKGESAXYUULAC-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)n1 ZINC000230993861 323876895 /nfs/dbraw/zinc/87/68/95/323876895.db2.gz MVKGESAXYUULAC-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)n1 ZINC000230993864 388043258 /nfs/dbraw/zinc/04/32/58/388043258.db2.gz MVKGESAXYUULAC-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000230994251 388833096 /nfs/dbraw/zinc/83/30/96/388833096.db2.gz YZJQURMZATWACF-GHMZBOCLSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000230994253 388833823 /nfs/dbraw/zinc/83/38/23/388833823.db2.gz YZJQURMZATWACF-WDEREUQCSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000230994256 388833930 /nfs/dbraw/zinc/83/39/30/388833930.db2.gz YZJQURMZATWACF-MNOVXSKESA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000230994258 388833934 /nfs/dbraw/zinc/83/39/34/388833934.db2.gz YZJQURMZATWACF-QWRGUYRKSA-N 1 0 237.309 3.743 20 0 BHADRO CSCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230994491 259651064 /nfs/dbraw/zinc/65/10/64/259651064.db2.gz ARRRTAHGGKWARJ-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230994492 388833998 /nfs/dbraw/zinc/83/39/98/388833998.db2.gz ARRRTAHGGKWARJ-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230994494 388833391 /nfs/dbraw/zinc/83/33/91/388833391.db2.gz ARRRTAHGGKWARJ-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230994497 322928768 /nfs/dbraw/zinc/92/87/68/322928768.db2.gz ARRRTAHGGKWARJ-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000230995125 491131180 /nfs/dbraw/zinc/13/11/80/491131180.db2.gz SLFUAADLDPTGJZ-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000230995128 491131188 /nfs/dbraw/zinc/13/11/88/491131188.db2.gz SLFUAADLDPTGJZ-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000230995131 491131172 /nfs/dbraw/zinc/13/11/72/491131172.db2.gz SLFUAADLDPTGJZ-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000230995133 491131208 /nfs/dbraw/zinc/13/12/08/491131208.db2.gz SLFUAADLDPTGJZ-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000230995811 388833528 /nfs/dbraw/zinc/83/35/28/388833528.db2.gz HJLWVMQKQQEXQM-MCIONIFRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000230995816 388834200 /nfs/dbraw/zinc/83/42/00/388834200.db2.gz HJLWVMQKQQEXQM-RDBSUJKOSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230997950 388833624 /nfs/dbraw/zinc/83/36/24/388833624.db2.gz RKOQIYNXIWJOPE-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230997956 388834209 /nfs/dbraw/zinc/83/42/09/388834209.db2.gz RKOQIYNXIWJOPE-UPJWGTAASA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230997972 388834213 /nfs/dbraw/zinc/83/42/13/388834213.db2.gz JMMAKWRVFZIHDT-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230997977 388833300 /nfs/dbraw/zinc/83/33/00/388833300.db2.gz JMMAKWRVFZIHDT-XQQFMLRXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000230997995 491131141 /nfs/dbraw/zinc/13/11/41/491131141.db2.gz RLLUINFZXBTUAD-TZMCWYRMSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000230997999 491131144 /nfs/dbraw/zinc/13/11/44/491131144.db2.gz RLLUINFZXBTUAD-GXTWGEPZSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 ZINC000230998003 491086042 /nfs/dbraw/zinc/08/60/42/491086042.db2.gz RLLUINFZXBTUAD-OCCSQVGLSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 ZINC000230998006 491131110 /nfs/dbraw/zinc/13/11/10/491131110.db2.gz RLLUINFZXBTUAD-JSGCOSHPSA-N 1 0 207.361 3.509 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998227 259424521 /nfs/dbraw/zinc/42/45/21/259424521.db2.gz OCTDKMJOSIVLJJ-ZIAGYGMSSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998229 388833304 /nfs/dbraw/zinc/83/33/04/388833304.db2.gz OCTDKMJOSIVLJJ-KGLIPLIRSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998232 388833598 /nfs/dbraw/zinc/83/35/98/388833598.db2.gz OCTDKMJOSIVLJJ-UONOGXRCSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998235 388833993 /nfs/dbraw/zinc/83/39/93/388833993.db2.gz OCTDKMJOSIVLJJ-KBPBESRZSA-N 1 0 243.460 3.934 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998755 358413903 /nfs/dbraw/zinc/41/39/03/358413903.db2.gz KNKYHEBJOJEOEI-GDBMZVCRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998757 358413931 /nfs/dbraw/zinc/41/39/31/358413931.db2.gz KNKYHEBJOJEOEI-ZBFHGGJFSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998761 358413784 /nfs/dbraw/zinc/41/37/84/358413784.db2.gz KNKYHEBJOJEOEI-GOEBONIOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998765 358413764 /nfs/dbraw/zinc/41/37/64/358413764.db2.gz KNKYHEBJOJEOEI-HOCLYGCPSA-N 1 0 246.398 3.694 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998833 388833834 /nfs/dbraw/zinc/83/38/34/388833834.db2.gz ZYNKOLFBMUOVAI-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998837 259651071 /nfs/dbraw/zinc/65/10/71/259651071.db2.gz ZYNKOLFBMUOVAI-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998840 388834133 /nfs/dbraw/zinc/83/41/33/388834133.db2.gz ZYNKOLFBMUOVAI-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998842 388834040 /nfs/dbraw/zinc/83/40/40/388834040.db2.gz ZYNKOLFBMUOVAI-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998847 388833512 /nfs/dbraw/zinc/83/35/12/388833512.db2.gz RRGUZOKJOMCEFV-GDBMZVCRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998850 388833807 /nfs/dbraw/zinc/83/38/07/388833807.db2.gz RRGUZOKJOMCEFV-ZBFHGGJFSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998854 388833746 /nfs/dbraw/zinc/83/37/46/388833746.db2.gz RRGUZOKJOMCEFV-GOEBONIOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998858 388833676 /nfs/dbraw/zinc/83/36/76/388833676.db2.gz RRGUZOKJOMCEFV-HOCLYGCPSA-N 1 0 246.398 3.694 20 0 BHADRO CCCC(CCC)[NH2+]C1Cc2ccccc2C1 ZINC000231035028 259325945 /nfs/dbraw/zinc/32/59/45/259325945.db2.gz GMCWSLMVPYHKDP-UHFFFAOYSA-N 1 0 231.383 3.712 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1Cc2ccccc2C1 ZINC000231035155 388834514 /nfs/dbraw/zinc/83/45/14/388834514.db2.gz BZDXKJBKEXMRAR-OAHLLOKOSA-N 1 0 231.383 3.712 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1Cc2ccccc2C1 ZINC000231035158 388834774 /nfs/dbraw/zinc/83/47/74/388834774.db2.gz BZDXKJBKEXMRAR-HNNXBMFYSA-N 1 0 231.383 3.712 20 0 BHADRO CC(C)([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000231221154 323917478 /nfs/dbraw/zinc/91/74/78/323917478.db2.gz HQASDNICHVWQTF-UHFFFAOYSA-N 1 0 239.309 3.902 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000231243620 388835252 /nfs/dbraw/zinc/83/52/52/388835252.db2.gz NHKZQZJWXQPFLU-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000231243639 388835162 /nfs/dbraw/zinc/83/51/62/388835162.db2.gz NHKZQZJWXQPFLU-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000231243657 259651399 /nfs/dbraw/zinc/65/13/99/259651399.db2.gz NHKZQZJWXQPFLU-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000231243683 259651361 /nfs/dbraw/zinc/65/13/61/259651361.db2.gz NHKZQZJWXQPFLU-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC1CCC(C[NH2+]C(C)(C)C2CC2)CC1 ZINC000231329750 538105773 /nfs/dbraw/zinc/10/57/73/538105773.db2.gz GFGBPBXHBKOECX-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C1CCC2(C1)CCC([NH2+][C@@H]1CCSC1)CC2 ZINC000231347785 134542291 /nfs/dbraw/zinc/54/22/91/134542291.db2.gz IQYIQNWVQQQBPF-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCC([NH2+][C@H]1CCSC1)CC2 ZINC000231347788 357613847 /nfs/dbraw/zinc/61/38/47/357613847.db2.gz IQYIQNWVQQQBPF-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccncc1 ZINC000231490648 345752431 /nfs/dbraw/zinc/75/24/31/345752431.db2.gz ZYMUYVDVTBPQSJ-ZDUSSCGKSA-N 1 0 232.371 3.530 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(Cl)s1 ZINC000231600140 388838216 /nfs/dbraw/zinc/83/82/16/388838216.db2.gz QOFWFGASJNZFNR-MRVPVSSYSA-N 1 0 229.776 3.852 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(Cl)s1 ZINC000231600150 259652394 /nfs/dbraw/zinc/65/23/94/259652394.db2.gz QOFWFGASJNZFNR-QMMMGPOBSA-N 1 0 229.776 3.852 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000231668934 641191922 /nfs/dbraw/zinc/19/19/22/641191922.db2.gz YJPMJSSHOXLFQJ-NWANDNLSSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000231668943 641191934 /nfs/dbraw/zinc/19/19/34/641191934.db2.gz YJPMJSSHOXLFQJ-AEGPPILISA-N 1 0 249.423 3.930 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCCC(F)(F)F)c1 ZINC000231672495 385811822 /nfs/dbraw/zinc/81/18/22/385811822.db2.gz WDYAHSYGHWDTEM-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000231675051 388839047 /nfs/dbraw/zinc/83/90/47/388839047.db2.gz AITCBKPVQXNAEZ-RRFJBIMHSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000231675058 259653231 /nfs/dbraw/zinc/65/32/31/259653231.db2.gz AITCBKPVQXNAEZ-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1ccccc1 ZINC000231690234 324207066 /nfs/dbraw/zinc/20/70/66/324207066.db2.gz GWUVQSVEDXNVKR-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccccc1 ZINC000231690238 324206512 /nfs/dbraw/zinc/20/65/12/324206512.db2.gz GWUVQSVEDXNVKR-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000231691376 324207006 /nfs/dbraw/zinc/20/70/06/324207006.db2.gz FNCYYIORGRKCMX-RRFJBIMHSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000231691379 324207190 /nfs/dbraw/zinc/20/71/90/324207190.db2.gz FNCYYIORGRKCMX-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C1 ZINC000231691792 259328288 /nfs/dbraw/zinc/32/82/88/259328288.db2.gz MCMUGJHZRMWUJZ-UKRRQHHQSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H]1CC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C1 ZINC000231691795 259328330 /nfs/dbraw/zinc/32/83/30/259328330.db2.gz MCMUGJHZRMWUJZ-HIFRSBDPSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+]C(CC(C)C)CC(C)C)C1 ZINC000231691797 259328324 /nfs/dbraw/zinc/32/83/24/259328324.db2.gz MCMUGJHZRMWUJZ-DZGCQCFKSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H]1CC[C@H]([NH2+]C(CC(C)C)CC(C)C)C1 ZINC000231691801 259328343 /nfs/dbraw/zinc/32/83/43/259328343.db2.gz MCMUGJHZRMWUJZ-ZFWWWQNUSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000231692114 324207651 /nfs/dbraw/zinc/20/76/51/324207651.db2.gz XSZFHXRJPKVQKD-BZUAXINKSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000231692118 324207642 /nfs/dbraw/zinc/20/76/42/324207642.db2.gz XSZFHXRJPKVQKD-ARFHVFGLSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1ccc(C)cc1 ZINC000231692220 324207661 /nfs/dbraw/zinc/20/76/61/324207661.db2.gz UBJNDDKDMNPQTL-OAGGEKHMSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccc(C)cc1 ZINC000231692226 324207701 /nfs/dbraw/zinc/20/77/01/324207701.db2.gz UBJNDDKDMNPQTL-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000231692721 388840789 /nfs/dbraw/zinc/84/07/89/388840789.db2.gz FBDZYKBWMAYJCO-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000231692725 388841578 /nfs/dbraw/zinc/84/15/78/388841578.db2.gz FBDZYKBWMAYJCO-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000231692858 388841769 /nfs/dbraw/zinc/84/17/69/388841769.db2.gz JLWUTOBCRHIOJE-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000231692861 388840637 /nfs/dbraw/zinc/84/06/37/388840637.db2.gz JLWUTOBCRHIOJE-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000231720971 385815527 /nfs/dbraw/zinc/81/55/27/385815527.db2.gz RVTGDVDLHVXPPZ-HSOILSAZSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000231720975 388841292 /nfs/dbraw/zinc/84/12/92/388841292.db2.gz RVTGDVDLHVXPPZ-YVNMAJEFSA-N 1 0 249.320 3.743 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000231728259 351236068 /nfs/dbraw/zinc/23/60/68/351236068.db2.gz HWINROWIGGXFSH-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000231728262 351235863 /nfs/dbraw/zinc/23/58/63/351235863.db2.gz HWINROWIGGXFSH-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000231728265 351235974 /nfs/dbraw/zinc/23/59/74/351235974.db2.gz HWINROWIGGXFSH-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000231728269 351235900 /nfs/dbraw/zinc/23/59/00/351235900.db2.gz HWINROWIGGXFSH-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCC[NH2+]CC(C(C)C)C(C)C ZINC000231730061 388841176 /nfs/dbraw/zinc/84/11/76/388841176.db2.gz SMCKHOBRMICOPW-UHFFFAOYSA-N 1 0 231.449 3.647 20 0 BHADRO CCCCCC[NH2+]C(C)(C)c1nccs1 ZINC000231730802 343694249 /nfs/dbraw/zinc/69/42/49/343694249.db2.gz NUMSHNLLFOLNCJ-UHFFFAOYSA-N 1 0 226.389 3.548 20 0 BHADRO CCCC[NH2+]Cc1ccc(Cl)cc1C ZINC000231745664 388840906 /nfs/dbraw/zinc/84/09/06/388840906.db2.gz BZTJKRUZJJPTFP-UHFFFAOYSA-N 1 0 211.736 3.538 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1CCCC1 ZINC000231745674 388841085 /nfs/dbraw/zinc/84/10/85/388841085.db2.gz JKMLUQYJFNHFIT-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000231745693 388840619 /nfs/dbraw/zinc/84/06/19/388840619.db2.gz ZKQNMHPUAYNZFL-SNVBAGLBSA-N 1 0 211.736 3.537 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000231745696 388840950 /nfs/dbraw/zinc/84/09/50/388840950.db2.gz ZKQNMHPUAYNZFL-JTQLQIEISA-N 1 0 211.736 3.537 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CC1CCC1 ZINC000231746660 388840953 /nfs/dbraw/zinc/84/09/53/388840953.db2.gz GNKIPCIJDWSJCZ-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)cc1C ZINC000231746781 388841721 /nfs/dbraw/zinc/84/17/21/388841721.db2.gz RNRCEZNUSROKDY-UHFFFAOYSA-N 1 0 225.763 3.927 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CC1CC1 ZINC000231747301 262917050 /nfs/dbraw/zinc/91/70/50/262917050.db2.gz FOWVACLOYPYXFA-NSHDSACASA-N 1 0 237.774 3.927 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CC1CC1 ZINC000231747304 388840693 /nfs/dbraw/zinc/84/06/93/388840693.db2.gz FOWVACLOYPYXFA-LLVKDONJSA-N 1 0 237.774 3.927 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000231747500 388841781 /nfs/dbraw/zinc/84/17/81/388841781.db2.gz HJEICWRBIBFRFV-CQSZACIVSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000231747504 388841628 /nfs/dbraw/zinc/84/16/28/388841628.db2.gz HJEICWRBIBFRFV-AWEZNQCLSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C(C)(C)C1CC1 ZINC000231747686 342693389 /nfs/dbraw/zinc/69/33/89/342693389.db2.gz ZIHRQLLHKAMPMG-UHFFFAOYSA-N 1 0 237.774 3.927 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000231747807 641197828 /nfs/dbraw/zinc/19/78/28/641197828.db2.gz OGLKLUOQEXTLSL-XHJNMGKDSA-N 1 0 241.444 3.685 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CCC1CC1 ZINC000231747816 538107191 /nfs/dbraw/zinc/10/71/91/538107191.db2.gz ZVCKSIJIOYLGDU-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1CC(C)C1 ZINC000231747895 262917088 /nfs/dbraw/zinc/91/70/88/262917088.db2.gz SPNCQUVQVJALHQ-UHFFFAOYSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CC1(C)CC1 ZINC000231747904 363351300 /nfs/dbraw/zinc/35/13/00/363351300.db2.gz ZODHHFLEFOOXAL-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1C ZINC000231748316 388841416 /nfs/dbraw/zinc/84/14/16/388841416.db2.gz SMOUFDTXYXBGFY-MBNYWOFBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1C ZINC000231748323 262917059 /nfs/dbraw/zinc/91/70/59/262917059.db2.gz SMOUFDTXYXBGFY-DYEKYZERSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1(C)CCC1 ZINC000231748357 342693552 /nfs/dbraw/zinc/69/35/52/342693552.db2.gz IBFIMTPLKNFEIS-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H](C)CC(F)(F)F ZINC000231750395 385817773 /nfs/dbraw/zinc/81/77/73/385817773.db2.gz ZJQSJCFPPJMZKS-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H](C)CC(F)(F)F ZINC000231750399 388841432 /nfs/dbraw/zinc/84/14/32/388841432.db2.gz ZJQSJCFPPJMZKS-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231750512 388840875 /nfs/dbraw/zinc/84/08/75/388840875.db2.gz JHGKSQYJZATLRI-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231750515 388840849 /nfs/dbraw/zinc/84/08/49/388840849.db2.gz JHGKSQYJZATLRI-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231750691 388840809 /nfs/dbraw/zinc/84/08/09/388840809.db2.gz SUODSDXVRPPEFR-NSHDSACASA-N 1 0 245.288 3.734 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231750695 388841592 /nfs/dbraw/zinc/84/15/92/388841592.db2.gz SUODSDXVRPPEFR-LLVKDONJSA-N 1 0 245.288 3.734 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1C ZINC000231750879 388840663 /nfs/dbraw/zinc/84/06/63/388840663.db2.gz KSBYWPJGQPKJJK-NSHDSACASA-N 1 0 245.288 3.734 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1C ZINC000231750883 259424811 /nfs/dbraw/zinc/42/48/11/259424811.db2.gz KSBYWPJGQPKJJK-LLVKDONJSA-N 1 0 245.288 3.734 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231750989 388840922 /nfs/dbraw/zinc/84/09/22/388840922.db2.gz VBKZVWCEAVDXAM-NSHDSACASA-N 1 0 245.288 3.734 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231750992 388841907 /nfs/dbraw/zinc/84/19/07/388841907.db2.gz VBKZVWCEAVDXAM-LLVKDONJSA-N 1 0 245.288 3.734 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1C ZINC000231751094 388840820 /nfs/dbraw/zinc/84/08/20/388840820.db2.gz ZRMQBGJNFOPTDR-JTQLQIEISA-N 1 0 245.288 3.734 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1C ZINC000231751096 322938539 /nfs/dbraw/zinc/93/85/39/322938539.db2.gz ZRMQBGJNFOPTDR-SNVBAGLBSA-N 1 0 245.288 3.734 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]CC1CCCCCC1 ZINC000231751328 388840631 /nfs/dbraw/zinc/84/06/31/388840631.db2.gz AWPFKLFFIZLTPI-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]CC1CCCCCC1 ZINC000231751332 388841045 /nfs/dbraw/zinc/84/10/45/388841045.db2.gz AWPFKLFFIZLTPI-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1 ZINC000231787212 388843023 /nfs/dbraw/zinc/84/30/23/388843023.db2.gz NVPQGAUIDXKODV-WDIPEOLASA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1 ZINC000231787216 388843083 /nfs/dbraw/zinc/84/30/83/388843083.db2.gz NVPQGAUIDXKODV-KWCHVYNWSA-N 1 0 235.346 3.911 20 0 BHADRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC(C)C1 ZINC000231787823 388843087 /nfs/dbraw/zinc/84/30/87/388843087.db2.gz UAMZDEVMYVXQLW-CVZZAPKMSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC(C)C1 ZINC000231787827 262917570 /nfs/dbraw/zinc/91/75/70/262917570.db2.gz UAMZDEVMYVXQLW-IQLKVPPVSA-N 1 0 237.774 3.659 20 0 BHADRO Cc1cnc(C[NH2+]C(CC(C)C)CC(C)C)o1 ZINC000231788318 538107310 /nfs/dbraw/zinc/10/73/10/538107310.db2.gz IJISXLYAONXRQM-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cnc(C[NH2+]CCC2CCCCC2)s1 ZINC000231788570 357629980 /nfs/dbraw/zinc/62/99/80/357629980.db2.gz PWNILCRKYMFAGC-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C[C@@H](C[NH2+]CCC1=CCCC1)c1ccccc1 ZINC000231788861 388842300 /nfs/dbraw/zinc/84/23/00/388842300.db2.gz QHNMQJMUODVNTO-AWEZNQCLSA-N 1 0 229.367 3.880 20 0 BHADRO C[C@H](C[NH2+]CCC1=CCCC1)c1ccccc1 ZINC000231788864 388843162 /nfs/dbraw/zinc/84/31/62/388843162.db2.gz QHNMQJMUODVNTO-CQSZACIVSA-N 1 0 229.367 3.880 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCCC2)C[C@@H]1C ZINC000231789082 262723722 /nfs/dbraw/zinc/72/37/22/262723722.db2.gz STDWHFBEGNQPBP-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)C1CCCCCC1 ZINC000231790659 388842071 /nfs/dbraw/zinc/84/20/71/388842071.db2.gz VJSVTBJTIHOALI-LXVYMNJGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)C1CCCCCC1 ZINC000231790661 262917573 /nfs/dbraw/zinc/91/75/73/262917573.db2.gz VJSVTBJTIHOALI-MBHSVXNSSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)CC(F)(F)F ZINC000231790886 262917582 /nfs/dbraw/zinc/91/75/82/262917582.db2.gz LVAAUYCOOMSXGD-VHSXEESVSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)CC(F)(F)F ZINC000231790889 262917489 /nfs/dbraw/zinc/91/74/89/262917489.db2.gz LVAAUYCOOMSXGD-UWVGGRQHSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)CC(F)(F)F ZINC000231790892 262917572 /nfs/dbraw/zinc/91/75/72/262917572.db2.gz LVAAUYCOOMSXGD-NXEZZACHSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)CC(F)(F)F ZINC000231790895 388842894 /nfs/dbraw/zinc/84/28/94/388842894.db2.gz LVAAUYCOOMSXGD-ZJUUUORDSA-N 1 0 225.298 3.886 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccsc1 ZINC000231791139 363353941 /nfs/dbraw/zinc/35/39/41/363353941.db2.gz PQBVKRSBOUHMOT-YUMQZZPRSA-N 1 0 237.290 3.740 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccsc1 ZINC000231791143 134545192 /nfs/dbraw/zinc/54/51/92/134545192.db2.gz PQBVKRSBOUHMOT-SFYZADRCSA-N 1 0 237.290 3.740 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccsc1 ZINC000231791146 363354114 /nfs/dbraw/zinc/35/41/14/363354114.db2.gz PQBVKRSBOUHMOT-JGVFFNPUSA-N 1 0 237.290 3.740 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccsc1 ZINC000231791148 363353653 /nfs/dbraw/zinc/35/36/53/363353653.db2.gz PQBVKRSBOUHMOT-HTQZYQBOSA-N 1 0 237.290 3.740 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231791269 388843010 /nfs/dbraw/zinc/84/30/10/388843010.db2.gz AZARMUKXIGKCND-WDEREUQCSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231791272 388842305 /nfs/dbraw/zinc/84/23/05/388842305.db2.gz AZARMUKXIGKCND-QWRGUYRKSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231791276 388843169 /nfs/dbraw/zinc/84/31/69/388843169.db2.gz AZARMUKXIGKCND-GHMZBOCLSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231791279 388842368 /nfs/dbraw/zinc/84/23/68/388842368.db2.gz AZARMUKXIGKCND-MNOVXSKESA-N 1 0 245.288 3.987 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000231791537 388843210 /nfs/dbraw/zinc/84/32/10/388843210.db2.gz CUECILLDUIZFSU-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000231791541 388843099 /nfs/dbraw/zinc/84/30/99/388843099.db2.gz CUECILLDUIZFSU-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000231791544 388843001 /nfs/dbraw/zinc/84/30/01/388843001.db2.gz CUECILLDUIZFSU-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000231791547 388842416 /nfs/dbraw/zinc/84/24/16/388842416.db2.gz CUECILLDUIZFSU-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)CC(F)(F)F ZINC000231791845 388842362 /nfs/dbraw/zinc/84/23/62/388842362.db2.gz KXHTVFVJBQVVEQ-VIFPVBQESA-N 1 0 225.298 3.886 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)CC(F)(F)F ZINC000231791849 388842149 /nfs/dbraw/zinc/84/21/49/388842149.db2.gz KXHTVFVJBQVVEQ-SECBINFHSA-N 1 0 225.298 3.886 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1cncc(F)c1 ZINC000231893204 353668246 /nfs/dbraw/zinc/66/82/46/353668246.db2.gz CFAVMIXFZXIGEY-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000231950518 641221003 /nfs/dbraw/zinc/22/10/03/641221003.db2.gz XBACJDOAZXDMFW-YUSALJHKSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000231950525 641219127 /nfs/dbraw/zinc/21/91/27/641219127.db2.gz XBACJDOAZXDMFW-JLLWLGSASA-N 1 0 249.320 3.743 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000232056283 324208511 /nfs/dbraw/zinc/20/85/11/324208511.db2.gz OLLIVRPZDPSGNB-SCDSUCTJSA-N 1 0 218.344 3.627 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000232056288 324208593 /nfs/dbraw/zinc/20/85/93/324208593.db2.gz OLLIVRPZDPSGNB-VHRBIJSZSA-N 1 0 218.344 3.627 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000232105653 324209117 /nfs/dbraw/zinc/20/91/17/324209117.db2.gz TTXKZMVUWXYKFR-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000232105659 259330066 /nfs/dbraw/zinc/33/00/66/259330066.db2.gz TTXKZMVUWXYKFR-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC000232350528 388849812 /nfs/dbraw/zinc/84/98/12/388849812.db2.gz AYPVDFRUSPBTRK-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC000232350529 388849913 /nfs/dbraw/zinc/84/99/13/388849913.db2.gz AYPVDFRUSPBTRK-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)c1ccccc1C)C(C)C ZINC000232350530 259654530 /nfs/dbraw/zinc/65/45/30/259654530.db2.gz AYPVDFRUSPBTRK-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)c1ccccc1C)C(C)C ZINC000232350531 388850601 /nfs/dbraw/zinc/85/06/01/388850601.db2.gz AYPVDFRUSPBTRK-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000232451831 538109792 /nfs/dbraw/zinc/10/97/92/538109792.db2.gz BFDGDPMNZRTXOF-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO c1cc2cc(C[NH2+]CC3CCCC3)ccc2cn1 ZINC000232454428 538109838 /nfs/dbraw/zinc/10/98/38/538109838.db2.gz NNFOIWGDZFZKNY-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO c1cc2cc(C[NH2+]C3CCCCC3)ccc2cn1 ZINC000232461200 538109824 /nfs/dbraw/zinc/10/98/24/538109824.db2.gz SIJUAFVGXPLNFI-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO c1cc2cc(C[NH2+]CCCC3CC3)ccc2cn1 ZINC000232472092 538109822 /nfs/dbraw/zinc/10/98/22/538109822.db2.gz CXNGIRMERMPLGK-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2cnccc2c1 ZINC000232493768 538117185 /nfs/dbraw/zinc/11/71/85/538117185.db2.gz KZALNLDNGBLVOM-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232494498 357663572 /nfs/dbraw/zinc/66/35/72/357663572.db2.gz QKHBKTFXXBTXLC-OAHLLOKOSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232494831 357663076 /nfs/dbraw/zinc/66/30/76/357663076.db2.gz QKHBKTFXXBTXLC-HNNXBMFYSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)(C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000232498455 398192135 /nfs/dbraw/zinc/19/21/35/398192135.db2.gz UKWKWUXIFKEQMR-UHFFFAOYSA-N 1 0 238.183 3.943 20 0 BHADRO CC(C)C1CC([NH2+]C2CCCCCC2)C1 ZINC000232536348 388850984 /nfs/dbraw/zinc/85/09/84/388850984.db2.gz AIIRRQRQDYOZMP-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C1CC([NH2+]CC2(C)CCCC2)C1 ZINC000232536525 388851735 /nfs/dbraw/zinc/85/17/35/388851735.db2.gz AEAYLEBPQBGLCD-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000232536700 388851990 /nfs/dbraw/zinc/85/19/90/388851990.db2.gz SJOCRHNOUJMWCQ-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1CC([NH2+]CCC2=CCCC2)C1 ZINC000232536748 388850885 /nfs/dbraw/zinc/85/08/85/388850885.db2.gz CINLXQNPWSNJOF-UHFFFAOYSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000232536768 388851100 /nfs/dbraw/zinc/85/11/00/388851100.db2.gz YNLCPVCWEFESPX-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC000232536867 388852001 /nfs/dbraw/zinc/85/20/01/388852001.db2.gz TWRIYWWDZPQLPZ-UHFFFAOYSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C1CC([NH2+]CCSc2ccccc2)C1 ZINC000232537013 259655485 /nfs/dbraw/zinc/65/54/85/259655485.db2.gz KZNKHITVOUHKIQ-UHFFFAOYSA-N 1 0 249.423 3.803 20 0 BHADRO Cc1cccc(CC[NH2+]C2CC(C(C)C)C2)c1 ZINC000232537133 259655236 /nfs/dbraw/zinc/65/52/36/259655236.db2.gz OBSMFRFRBOUNCB-UHFFFAOYSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+]C1CC(C(C)C)C1 ZINC000232537149 259655498 /nfs/dbraw/zinc/65/54/98/259655498.db2.gz GBTBLNSYPYLAPY-UHFFFAOYSA-N 1 0 231.383 3.562 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000232537305 388851644 /nfs/dbraw/zinc/85/16/44/388851644.db2.gz JZKDVUILXQDTNL-IUDNXUCKSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000232537675 388852608 /nfs/dbraw/zinc/85/26/08/388852608.db2.gz JZKDVUILXQDTNL-JEYLPNPQSA-N 1 0 231.383 3.814 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1 ZINC000232537999 259655725 /nfs/dbraw/zinc/65/57/25/259655725.db2.gz BHCUSDDRJDMRGJ-UHFFFAOYSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C(C)C)C2)s1 ZINC000232538012 388852409 /nfs/dbraw/zinc/85/24/09/388852409.db2.gz UKJCACOPZLXKGQ-UHFFFAOYSA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000232538025 388852962 /nfs/dbraw/zinc/85/29/62/388852962.db2.gz YSGPMWNKNGGKHM-UHFFFAOYSA-N 1 0 243.803 3.926 20 0 BHADRO Cc1cccc(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000232538092 388853402 /nfs/dbraw/zinc/85/34/02/388853402.db2.gz OQZVRMLIPGQVFF-UHFFFAOYSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+]C1CC(C(C)C)C1 ZINC000232538149 388853241 /nfs/dbraw/zinc/85/32/41/388853241.db2.gz UXRKQTRCDLPZGD-UHFFFAOYSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cscc1C[NH2+]C1CC(C(C)C)C1 ZINC000232538303 388852366 /nfs/dbraw/zinc/85/23/66/388852366.db2.gz PAFDSVKCZFEGIA-UHFFFAOYSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+]C1CC(C(C)C)C1 ZINC000232538385 388853499 /nfs/dbraw/zinc/85/34/99/388853499.db2.gz SPVZNHUVWUZCRL-UHFFFAOYSA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)C2CCCC2)C1 ZINC000232538471 259331404 /nfs/dbraw/zinc/33/14/04/259331404.db2.gz FZBWRHSRBYEVDL-XGNXJENSSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000232538506 388852374 /nfs/dbraw/zinc/85/23/74/388852374.db2.gz INGVZYJNZOXACK-HSBZDZAISA-N 1 0 235.371 3.625 20 0 BHADRO C=Cn1cc(C[NH2+]CCCCCCC(C)C)cn1 ZINC000232538509 711760860 /nfs/dbraw/zinc/76/08/60/711760860.db2.gz PVHGVKNFCDDWAN-UHFFFAOYSA-N 1 0 249.402 3.680 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000232538580 388853501 /nfs/dbraw/zinc/85/35/01/388853501.db2.gz DJAVNJUWQKWFAU-HIFPTAJRSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000232538584 342856938 /nfs/dbraw/zinc/85/69/38/342856938.db2.gz JRPDCNQAGPEVIU-XGNXJENSSA-N 1 0 237.412 3.703 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C(C)C)C2)c(C)o1 ZINC000232538631 388852747 /nfs/dbraw/zinc/85/27/47/388852747.db2.gz CKZBOUAFKMHVKJ-XGNXJENSSA-N 1 0 235.371 3.982 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000232538681 388853025 /nfs/dbraw/zinc/85/30/25/388853025.db2.gz DIDQBOYBLWONAV-HIFPTAJRSA-N 1 0 221.344 3.673 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)c2ccccc2)C1 ZINC000232538767 388853515 /nfs/dbraw/zinc/85/35/15/388853515.db2.gz UGKXDMYLESVDBJ-GRTSSRMGSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)c2cccs2)C1 ZINC000232538806 259655768 /nfs/dbraw/zinc/65/57/68/259655768.db2.gz PZJQMWAERZLZGY-UNXYVOJBSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)c2ccsc2)C1 ZINC000232538812 711709494 /nfs/dbraw/zinc/70/94/94/711709494.db2.gz WIUSRPMCFRBNGI-PKSQDBQZSA-N 1 0 223.385 3.833 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C2CC(C(C)C)C2)n1 ZINC000232538824 388852412 /nfs/dbraw/zinc/85/24/12/388852412.db2.gz IFFXNMJKPSLYEB-UNXYVOJBSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C2CC(C(C)C)C2)s1 ZINC000232538833 388853195 /nfs/dbraw/zinc/85/31/95/388853195.db2.gz LMTQARWBLAWIGV-UNXYVOJBSA-N 1 0 238.400 3.537 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000232538930 388852616 /nfs/dbraw/zinc/85/26/16/388852616.db2.gz SCRQLECGYBRPDG-OTTFEQOBSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000232538946 259655811 /nfs/dbraw/zinc/65/58/11/259655811.db2.gz QRZJYDSKMOXPAN-WXRRBKDZSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000232538993 259655718 /nfs/dbraw/zinc/65/57/18/259655718.db2.gz LJNQNWLAFVLPJG-GFJIZPEISA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000232539020 259655442 /nfs/dbraw/zinc/65/54/42/259655442.db2.gz LJNQNWLAFVLPJG-BLYZHGLHSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000232539076 388852357 /nfs/dbraw/zinc/85/23/57/388852357.db2.gz UDTOYFLUBBLMAM-NELGMTEASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000232539125 259331502 /nfs/dbraw/zinc/33/15/02/259331502.db2.gz UDTOYFLUBBLMAM-RJZJGCCBSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)C2CCCC2)C1 ZINC000232539386 259331632 /nfs/dbraw/zinc/33/16/32/259331632.db2.gz FZBWRHSRBYEVDL-LMWSTFAQSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)CCc2ccco2)C1 ZINC000232539409 388852981 /nfs/dbraw/zinc/85/29/81/388852981.db2.gz INGVZYJNZOXACK-IYXRBSQSSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)Cc2cccs2)C1 ZINC000232539457 388852554 /nfs/dbraw/zinc/85/25/54/388852554.db2.gz DJAVNJUWQKWFAU-PNESKVBLSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000232539463 342856873 /nfs/dbraw/zinc/85/68/73/342856873.db2.gz JRPDCNQAGPEVIU-LMWSTFAQSA-N 1 0 237.412 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C(C)C)C2)c(C)o1 ZINC000232539508 388852903 /nfs/dbraw/zinc/85/29/03/388852903.db2.gz CKZBOUAFKMHVKJ-LMWSTFAQSA-N 1 0 235.371 3.982 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000232539547 388853431 /nfs/dbraw/zinc/85/34/31/388853431.db2.gz DIDQBOYBLWONAV-PNESKVBLSA-N 1 0 221.344 3.673 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)c2ccccc2)C1 ZINC000232539604 259655697 /nfs/dbraw/zinc/65/56/97/259655697.db2.gz UGKXDMYLESVDBJ-LRVUVFPRSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)c2cccs2)C1 ZINC000232539634 259655709 /nfs/dbraw/zinc/65/57/09/259655709.db2.gz PZJQMWAERZLZGY-VOMCLLRMSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)c2ccsc2)C1 ZINC000232539644 711709432 /nfs/dbraw/zinc/70/94/32/711709432.db2.gz WIUSRPMCFRBNGI-QFWMXSHPSA-N 1 0 223.385 3.833 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C2CC(C(C)C)C2)n1 ZINC000232539654 259331406 /nfs/dbraw/zinc/33/14/06/259331406.db2.gz IFFXNMJKPSLYEB-VOMCLLRMSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C2CC(C(C)C)C2)s1 ZINC000232539660 259331617 /nfs/dbraw/zinc/33/16/17/259331617.db2.gz LMTQARWBLAWIGV-VOMCLLRMSA-N 1 0 238.400 3.537 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000232539735 388852883 /nfs/dbraw/zinc/85/28/83/388852883.db2.gz SCRQLECGYBRPDG-CPCZMJQVSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCCC2(C)C)C1 ZINC000232539746 259655449 /nfs/dbraw/zinc/65/54/49/259655449.db2.gz QRZJYDSKMOXPAN-BPCQOVAHSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000232539775 259331425 /nfs/dbraw/zinc/33/14/25/259331425.db2.gz LJNQNWLAFVLPJG-ABXWRUBCSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000232539787 259655700 /nfs/dbraw/zinc/65/57/00/259655700.db2.gz LJNQNWLAFVLPJG-RYSNWHEDSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000232539825 388852622 /nfs/dbraw/zinc/85/26/22/388852622.db2.gz UDTOYFLUBBLMAM-ZIHBUVQPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000232539865 388853378 /nfs/dbraw/zinc/85/33/78/388853378.db2.gz UDTOYFLUBBLMAM-AHPWVWPOSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC(Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000232540837 388853170 /nfs/dbraw/zinc/85/31/70/388853170.db2.gz XPBQTFRSGKKUSX-UHFFFAOYSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)C1CC(Nc2cccc(C[NH+](C)C)c2)C1 ZINC000232541454 388852571 /nfs/dbraw/zinc/85/25/71/388852571.db2.gz WJWDRCMYVPRFOE-UHFFFAOYSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000232544566 537800560 /nfs/dbraw/zinc/80/05/60/537800560.db2.gz PNQDPTSOXDESII-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232545025 134553729 /nfs/dbraw/zinc/55/37/29/134553729.db2.gz FHBSFBXPKKXSHE-MRXNPFEDSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232545255 134553871 /nfs/dbraw/zinc/55/38/71/134553871.db2.gz FHBSFBXPKKXSHE-INIZCTEOSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)C1(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000232548471 342857710 /nfs/dbraw/zinc/85/77/10/342857710.db2.gz BRCIQTQIVIOSTN-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)C1(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000232548473 325145280 /nfs/dbraw/zinc/14/52/80/325145280.db2.gz COOCFQNPTUDYAR-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCCc3occc32)C1 ZINC000232551369 357671193 /nfs/dbraw/zinc/67/11/93/357671193.db2.gz PTHQOMWIJACMNK-ORHYLEIMSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000232551396 388852999 /nfs/dbraw/zinc/85/29/99/388852999.db2.gz FVVQNBJNFQFRSF-ZBCRRDGASA-N 1 0 229.367 3.698 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000232551433 259655555 /nfs/dbraw/zinc/65/55/55/259655555.db2.gz ZVOAKMIETHXALS-AQFXKWCLSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCCc3occc32)C1 ZINC000232551488 357671107 /nfs/dbraw/zinc/67/11/07/357671107.db2.gz PTHQOMWIJACMNK-YIZWMMSDSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000232551510 259655695 /nfs/dbraw/zinc/65/56/95/259655695.db2.gz FVVQNBJNFQFRSF-XUJLQICISA-N 1 0 229.367 3.698 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000232551541 388852899 /nfs/dbraw/zinc/85/28/99/388852899.db2.gz ZVOAKMIETHXALS-CGZBRXJRSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)CC[NH+](CCC[C@@H](C)O)CCC(C)C ZINC000232553750 259655681 /nfs/dbraw/zinc/65/56/81/259655681.db2.gz RSUBHHITXPQZKV-OAHLLOKOSA-N 1 0 243.435 3.542 20 0 BHADRO CC(C)CC[NH+](CCC[C@H](C)O)CCC(C)C ZINC000232553764 343958890 /nfs/dbraw/zinc/95/88/90/343958890.db2.gz RSUBHHITXPQZKV-HNNXBMFYSA-N 1 0 243.435 3.542 20 0 BHADRO c1cc2cc(C[NH2+]CCC3CCC3)ccc2cn1 ZINC000232561614 641299501 /nfs/dbraw/zinc/29/95/01/641299501.db2.gz SXYTZTIMWVKUJT-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C(CC1CCCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC000232563170 134553622 /nfs/dbraw/zinc/55/36/22/134553622.db2.gz UNIVHZHUPPFZCN-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(CC1CCCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC000232563205 134553842 /nfs/dbraw/zinc/55/38/42/134553842.db2.gz UNIVHZHUPPFZCN-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO C1=C[C@H]([NH2+]CCC2CCCCC2)CCC1 ZINC000232564132 388853313 /nfs/dbraw/zinc/85/33/13/388853313.db2.gz QQFJWXWQAQHJHO-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO C1=C[C@@H]([NH2+]CCC2CCCCC2)CCC1 ZINC000232564358 388852848 /nfs/dbraw/zinc/85/28/48/388852848.db2.gz QQFJWXWQAQHJHO-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232587503 537801390 /nfs/dbraw/zinc/80/13/90/537801390.db2.gz HDYXOPRBNBEPFK-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232594025 357672076 /nfs/dbraw/zinc/67/20/76/357672076.db2.gz UIWKLFSEKGWEIT-MLGOLLRUSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232595327 357672134 /nfs/dbraw/zinc/67/21/34/357672134.db2.gz UIWKLFSEKGWEIT-WBMJQRKESA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)=CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000232598733 259655873 /nfs/dbraw/zinc/65/58/73/259655873.db2.gz ZKSFEQKZVWGRSQ-UHFFFAOYSA-N 1 0 229.367 3.797 20 0 BHADRO CC(C)=CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000232598995 388855119 /nfs/dbraw/zinc/85/51/19/388855119.db2.gz LXMOOAGABWWBGX-UHFFFAOYSA-N 1 0 233.330 3.628 20 0 BHADRO CC(C)=CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000232599116 388855033 /nfs/dbraw/zinc/85/50/33/388855033.db2.gz TUHQAXHTFBRJDR-UHFFFAOYSA-N 1 0 233.330 3.628 20 0 BHADRO CC(C)=CC[NH2+]CC(C)(C)c1ccccc1 ZINC000232600465 537800743 /nfs/dbraw/zinc/80/07/43/537800743.db2.gz XJYXJDIKJZHFFT-UHFFFAOYSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000232604464 388854320 /nfs/dbraw/zinc/85/43/20/388854320.db2.gz PMKDUFZCAVDSLS-KCQAQPDRSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000232609359 388854832 /nfs/dbraw/zinc/85/48/32/388854832.db2.gz PMKDUFZCAVDSLS-YDHLFZDLSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)=CC[NH2+]Cc1c(C)oc2ccccc21 ZINC000232612860 388854705 /nfs/dbraw/zinc/85/47/05/388854705.db2.gz AGTPPSWNUQLEBO-UHFFFAOYSA-N 1 0 229.323 3.797 20 0 BHADRO CC(C)=CC[NH2+]Cc1c(F)cccc1Cl ZINC000232613076 388854943 /nfs/dbraw/zinc/85/49/43/388854943.db2.gz UDZWXQDMFCZDCY-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc(Cl)ccc1F ZINC000232614073 388854096 /nfs/dbraw/zinc/85/40/96/388854096.db2.gz BZHFVXDWSCOERV-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000232614387 388854407 /nfs/dbraw/zinc/85/44/07/388854407.db2.gz UUBBRFNRYCMZTQ-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000232615109 388854932 /nfs/dbraw/zinc/85/49/32/388854932.db2.gz LJSCBACWCZCLJD-UHFFFAOYSA-N 1 0 223.747 3.704 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000232615572 388854427 /nfs/dbraw/zinc/85/44/27/388854427.db2.gz CVCVPLKPUGYMQL-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(Cl)cc1C ZINC000232615634 388853864 /nfs/dbraw/zinc/85/38/64/388853864.db2.gz XMZLHESAADVZIZ-UHFFFAOYSA-N 1 0 223.747 3.704 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(Cl)cc1F ZINC000232615691 388853953 /nfs/dbraw/zinc/85/39/53/388853953.db2.gz HUXRZCHEJYCPFZ-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000232615875 388854848 /nfs/dbraw/zinc/85/48/48/388854848.db2.gz SUGFRBIYGVOPMH-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(F)cc1Cl ZINC000232616042 388853836 /nfs/dbraw/zinc/85/38/36/388853836.db2.gz MEJAVRSQMSBSSY-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1cccc(Cl)c1F ZINC000232617099 388854112 /nfs/dbraw/zinc/85/41/12/388854112.db2.gz GWUXSZDIGMUSIZ-UHFFFAOYSA-N 1 0 227.710 3.535 20 0 BHADRO CC(C)=CC[NH2+]Cc1cccc2ccccc21 ZINC000232617517 388854994 /nfs/dbraw/zinc/85/49/94/388854994.db2.gz PBGIEMZURWCNRJ-UHFFFAOYSA-N 1 0 225.335 3.896 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000232617680 388854312 /nfs/dbraw/zinc/85/43/12/388854312.db2.gz GKHRBPFDBYGQQD-UHFFFAOYSA-N 1 0 243.272 3.761 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccccc1C1CC1 ZINC000232617731 537802827 /nfs/dbraw/zinc/80/28/27/537802827.db2.gz RTJOXXYFWNAALR-UHFFFAOYSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)=CC[NH2+]Cc1csc2ccccc12 ZINC000232619410 388854085 /nfs/dbraw/zinc/85/40/85/388854085.db2.gz CFHKDVNDXXNKHL-UHFFFAOYSA-N 1 0 231.364 3.957 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000232620943 388854330 /nfs/dbraw/zinc/85/43/30/388854330.db2.gz PDXQOWYUJGDNSN-UHFFFAOYSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc2ccccc2c1 ZINC000232621246 388854107 /nfs/dbraw/zinc/85/41/07/388854107.db2.gz VOTDDZSKAMMYLZ-UHFFFAOYSA-N 1 0 225.335 3.896 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232625726 541373276 /nfs/dbraw/zinc/37/32/76/541373276.db2.gz HDYXOPRBNBEPFK-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000232628023 388854288 /nfs/dbraw/zinc/85/42/88/388854288.db2.gz STNSEWPWOFKEHL-CQSZACIVSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000232628138 388854364 /nfs/dbraw/zinc/85/43/64/388854364.db2.gz KSOQRDUBLXSXQK-OAHLLOKOSA-N 1 0 215.340 3.538 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000232629148 388854503 /nfs/dbraw/zinc/85/45/03/388854503.db2.gz XMBXEZTWVGRJII-ZIAGYGMSSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000232629184 388854103 /nfs/dbraw/zinc/85/41/03/388854103.db2.gz XMBXEZTWVGRJII-UONOGXRCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232630432 535299627 /nfs/dbraw/zinc/29/96/27/535299627.db2.gz UIWKLFSEKGWEIT-BLLLJJGKSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232631640 357669730 /nfs/dbraw/zinc/66/97/30/357669730.db2.gz UIWKLFSEKGWEIT-LRDDRELGSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000232631794 388854787 /nfs/dbraw/zinc/85/47/87/388854787.db2.gz STNSEWPWOFKEHL-AWEZNQCLSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000232631878 388853874 /nfs/dbraw/zinc/85/38/74/388853874.db2.gz KSOQRDUBLXSXQK-HNNXBMFYSA-N 1 0 215.340 3.538 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000232632666 388853883 /nfs/dbraw/zinc/85/38/83/388853883.db2.gz XMBXEZTWVGRJII-KGLIPLIRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000232632707 388854979 /nfs/dbraw/zinc/85/49/79/388854979.db2.gz XMBXEZTWVGRJII-KBPBESRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCNc1cc[nH+]c2ccccc12 ZINC000232644334 388854190 /nfs/dbraw/zinc/85/41/90/388854190.db2.gz MKCQAZLNZBUFKN-UHFFFAOYSA-N 1 0 212.296 3.613 20 0 BHADRO CC(C)OCCCC[NH2+]CCC1CCCCC1 ZINC000232671273 388856206 /nfs/dbraw/zinc/85/62/06/388856206.db2.gz URMMBDGYZGWODE-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000232676719 537804013 /nfs/dbraw/zinc/80/40/13/537804013.db2.gz WVEQVQDCWKJHFN-ZDUSSCGKSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232679971 388855949 /nfs/dbraw/zinc/85/59/49/388855949.db2.gz RMDYPFMDUHHYKH-BLLLJJGKSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232681481 388855805 /nfs/dbraw/zinc/85/58/05/388855805.db2.gz RMDYPFMDUHHYKH-LRDDRELGSA-N 1 0 247.382 3.651 20 0 BHADRO Cc1cc(C[NH2+]CC2(C(C)C)CC2)cc(C)c1O ZINC000232682168 388856068 /nfs/dbraw/zinc/85/60/68/388856068.db2.gz GIKGUTINILCFHT-UHFFFAOYSA-N 1 0 247.382 3.535 20 0 BHADRO Cc1ccsc1CNc1[nH+]ccn1CC(C)C ZINC000232686957 357674078 /nfs/dbraw/zinc/67/40/78/357674078.db2.gz GYPSKLBFFXVXSO-UHFFFAOYSA-N 1 0 249.383 3.521 20 0 BHADRO CC(C)[C@@H](C[NH2+]C1CC=CC1)c1ccccc1 ZINC000232698274 487634396 /nfs/dbraw/zinc/63/43/96/487634396.db2.gz MUAKXYKEBZKRIP-MRXNPFEDSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1CCC1)c1ccccc1 ZINC000232702476 388856302 /nfs/dbraw/zinc/85/63/02/388856302.db2.gz BAAWFGLTBRXPSG-MRXNPFEDSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@@H](C[NH2+]CCC1CC1)c1ccccc1 ZINC000232703347 537803311 /nfs/dbraw/zinc/80/33/11/537803311.db2.gz YIGWUPWRADHYTN-MRXNPFEDSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000232716707 537807197 /nfs/dbraw/zinc/80/71/97/537807197.db2.gz WVEQVQDCWKJHFN-CYBMUJFWSA-N 1 0 242.366 3.617 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232719338 388855773 /nfs/dbraw/zinc/85/57/73/388855773.db2.gz RMDYPFMDUHHYKH-MLGOLLRUSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232720967 388856327 /nfs/dbraw/zinc/85/63/27/388856327.db2.gz RMDYPFMDUHHYKH-WBMJQRKESA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccncc1Cl ZINC000232726235 323102011 /nfs/dbraw/zinc/10/20/11/323102011.db2.gz AIPFSHZOKCRPMP-UHFFFAOYSA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)[C@H](C[NH2+]C1CC=CC1)c1ccccc1 ZINC000232740461 487645336 /nfs/dbraw/zinc/64/53/36/487645336.db2.gz MUAKXYKEBZKRIP-INIZCTEOSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1CCC1)c1ccccc1 ZINC000232743695 388857865 /nfs/dbraw/zinc/85/78/65/388857865.db2.gz BAAWFGLTBRXPSG-INIZCTEOSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@H](C[NH2+]CCC1CC1)c1ccccc1 ZINC000232744419 259333165 /nfs/dbraw/zinc/33/31/65/259333165.db2.gz YIGWUPWRADHYTN-INIZCTEOSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000232753397 388858120 /nfs/dbraw/zinc/85/81/20/388858120.db2.gz HSYYWAGJKNPWRG-BPUTZDHNSA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000232756823 388857458 /nfs/dbraw/zinc/85/74/58/388857458.db2.gz HSYYWAGJKNPWRG-IMJJTQAJSA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000232762295 388857853 /nfs/dbraw/zinc/85/78/53/388857853.db2.gz OMSVSEUTELDEQM-ZDUSSCGKSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)n1cncc1C[NH2+]CC1(C)CCCCC1 ZINC000232768440 357680760 /nfs/dbraw/zinc/68/07/60/357680760.db2.gz BQXVFHKPZZKDSP-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000232771361 357684413 /nfs/dbraw/zinc/68/44/13/357684413.db2.gz ZSYKMUIZKJHRSZ-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000232771420 357684252 /nfs/dbraw/zinc/68/42/52/357684252.db2.gz ZSYKMUIZKJHRSZ-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000232772235 357684668 /nfs/dbraw/zinc/68/46/68/357684668.db2.gz ZSYKMUIZKJHRSZ-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000232772291 357684189 /nfs/dbraw/zinc/68/41/89/357684189.db2.gz ZSYKMUIZKJHRSZ-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000232773769 537805935 /nfs/dbraw/zinc/80/59/35/537805935.db2.gz QFZOLWGKOJOECN-CQSZACIVSA-N 1 0 246.398 3.731 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000232780718 388857989 /nfs/dbraw/zinc/85/79/89/388857989.db2.gz OMSVSEUTELDEQM-CYBMUJFWSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H]1CCCc2cccnc21 ZINC000232789278 537805311 /nfs/dbraw/zinc/80/53/11/537805311.db2.gz QFZOLWGKOJOECN-AWEZNQCLSA-N 1 0 246.398 3.731 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000232829979 388857832 /nfs/dbraw/zinc/85/78/32/388857832.db2.gz ODLFGBUSIBMLID-WCQYABFASA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000232830027 259658375 /nfs/dbraw/zinc/65/83/75/259658375.db2.gz ODLFGBUSIBMLID-DGCLKSJQSA-N 1 0 209.377 3.757 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C)C2)cc1Cl ZINC000232833856 388857992 /nfs/dbraw/zinc/85/79/92/388857992.db2.gz DWPMDQHQRIBYQW-UHFFFAOYSA-N 1 0 223.747 3.537 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000232834184 388857141 /nfs/dbraw/zinc/85/71/41/388857141.db2.gz ODLFGBUSIBMLID-AAEUAGOBSA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000232834221 388858192 /nfs/dbraw/zinc/85/81/92/388858192.db2.gz ODLFGBUSIBMLID-YPMHNXCESA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000232835007 388857663 /nfs/dbraw/zinc/85/76/63/388857663.db2.gz ZXKAQSAYTRYUIJ-UHFFFAOYSA-N 1 0 225.763 3.927 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232835900 537805628 /nfs/dbraw/zinc/80/56/28/537805628.db2.gz FUDPQYCAMFGZQE-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CCC(=O)CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000232843145 168197739 /nfs/dbraw/zinc/19/77/39/168197739.db2.gz LRSZMQZBWRPGLO-NSHDSACASA-N 1 0 239.384 3.500 20 0 BHADRO CCC(=O)CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000232844091 168198167 /nfs/dbraw/zinc/19/81/67/168198167.db2.gz LRSZMQZBWRPGLO-LLVKDONJSA-N 1 0 239.384 3.500 20 0 BHADRO CCC(=O)CCC[N@H+](CC(C)C)C1CCCC1 ZINC000232845408 357685016 /nfs/dbraw/zinc/68/50/16/357685016.db2.gz WKZZLLBBYDJZBO-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO CCC(=O)CCC[N@H+](Cc1ccccc1)C(C)C ZINC000232847938 363386264 /nfs/dbraw/zinc/38/62/64/363386264.db2.gz ZNWHXQWFRRLEJA-UHFFFAOYSA-N 1 0 247.382 3.656 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc2cnccc2c1 ZINC000232848355 537806691 /nfs/dbraw/zinc/80/66/91/537806691.db2.gz FAQLYZUOCSPPQN-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(=O)CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000232851184 134556626 /nfs/dbraw/zinc/55/66/26/134556626.db2.gz LQULDTZSSDICFS-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232855050 634390934 /nfs/dbraw/zinc/39/09/34/634390934.db2.gz XTXYCHKBPDOMSS-MRXNPFEDSA-N 1 0 247.382 3.795 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232859451 634391206 /nfs/dbraw/zinc/39/12/06/634391206.db2.gz XTXYCHKBPDOMSS-INIZCTEOSA-N 1 0 247.382 3.795 20 0 BHADRO CC1(C[NH2+]CCSc2ccccc2)CCC1 ZINC000232871042 535150801 /nfs/dbraw/zinc/15/08/01/535150801.db2.gz RRVWFZDOOJZIFE-UHFFFAOYSA-N 1 0 235.396 3.559 20 0 BHADRO CC1(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000232873611 357686351 /nfs/dbraw/zinc/68/63/51/357686351.db2.gz YPNMDSMAQANDRY-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CC1([NH2+]Cc2ccc3cnccc3c2)CCCC1 ZINC000232873665 634390374 /nfs/dbraw/zinc/39/03/74/634390374.db2.gz QHSKHVRISPDLIK-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CSc3ccccc32)CCC1 ZINC000232878244 487664847 /nfs/dbraw/zinc/66/48/47/487664847.db2.gz QFMLLUDZUAMENW-GFCCVEGCSA-N 1 0 247.407 3.656 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000232881946 325165518 /nfs/dbraw/zinc/16/55/18/325165518.db2.gz GHJZSWFXJLOMBI-LBPRGKRZSA-N 1 0 239.309 3.760 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@@H](OC)C2)CCCC1 ZINC000232884249 537810940 /nfs/dbraw/zinc/81/09/40/537810940.db2.gz AAQDPIIKCJQGKM-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C[NH2+]C[C@H]2CSc3ccccc32)CCC1 ZINC000232885313 487683069 /nfs/dbraw/zinc/68/30/69/487683069.db2.gz QFMLLUDZUAMENW-LBPRGKRZSA-N 1 0 247.407 3.656 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H](OC)C2)CCCC1 ZINC000232886467 537811341 /nfs/dbraw/zinc/81/13/41/537811341.db2.gz AAQDPIIKCJQGKM-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000232887323 583205484 /nfs/dbraw/zinc/20/54/84/583205484.db2.gz JMSMYZIVQNRIKU-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CCC1(C[NH2+][C@H]2CCOC(C)(C)C2)CCCC1 ZINC000232887382 487667161 /nfs/dbraw/zinc/66/71/61/487667161.db2.gz UCZPREXNWNSBOD-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+]Cc2ccc3cnccc3c2)CCC1 ZINC000232889684 537811328 /nfs/dbraw/zinc/81/13/28/537811328.db2.gz QWEKYOJRZAYCLI-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](COCC)C(C)C ZINC000232893084 323102203 /nfs/dbraw/zinc/10/22/03/323102203.db2.gz PQFDFBMDVZDMPF-AWEZNQCLSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC(CCC)[NH2+][C@H](COCC)C(C)C ZINC000232894738 259658644 /nfs/dbraw/zinc/65/86/44/259658644.db2.gz PQFDFBMDVZDMPF-CQSZACIVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232896736 535081914 /nfs/dbraw/zinc/08/19/14/535081914.db2.gz QLVIAJYBBQJLFW-OAHLLOKOSA-N 1 0 233.355 3.548 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232899437 357686086 /nfs/dbraw/zinc/68/60/86/357686086.db2.gz QLVIAJYBBQJLFW-HNNXBMFYSA-N 1 0 233.355 3.548 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000232905997 388859959 /nfs/dbraw/zinc/85/99/59/388859959.db2.gz NCHRULDIIQKMFI-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000232906060 388859496 /nfs/dbraw/zinc/85/94/96/388859496.db2.gz WNLUNWWSHNZSGH-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc(F)ccc1C ZINC000232906542 388859255 /nfs/dbraw/zinc/85/92/55/388859255.db2.gz PSDCTSSJNVRAPG-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232907051 537811897 /nfs/dbraw/zinc/81/18/97/537811897.db2.gz APKFEUMWERTVFB-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(F)cc1C ZINC000232911454 388859443 /nfs/dbraw/zinc/85/94/43/388859443.db2.gz KUMASKKAAABIAC-UHFFFAOYSA-N 1 0 223.335 3.660 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCC1 ZINC000232916818 357684385 /nfs/dbraw/zinc/68/43/85/357684385.db2.gz QFTYCRONLFKZIV-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cncc2ccccc21 ZINC000232917040 635520536 /nfs/dbraw/zinc/52/05/36/635520536.db2.gz KLJFOKUOPWEQGF-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO C=Cn1cc(C[NH2+]CC(C)(C)CCCCC)cn1 ZINC000232921053 635522869 /nfs/dbraw/zinc/52/28/69/635522869.db2.gz FWULDJUGBUIDQK-UHFFFAOYSA-N 1 0 249.402 3.680 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000232921084 342892053 /nfs/dbraw/zinc/89/20/53/342892053.db2.gz WITQEPABTSSGLP-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000232921151 324013843 /nfs/dbraw/zinc/01/38/43/324013843.db2.gz WWZAUFKIUYHUEP-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000232921326 541375029 /nfs/dbraw/zinc/37/50/29/541375029.db2.gz IFGWDSZNYOOBDK-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000232921527 388860050 /nfs/dbraw/zinc/86/00/50/388860050.db2.gz FNPICRPUZMEZKJ-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC1(C[NH2+]Cc2ccc(C(F)F)cc2)CCC1 ZINC000232928567 357694001 /nfs/dbraw/zinc/69/40/01/357694001.db2.gz CMJUBJLACKMSHK-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO CCCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000232931281 635521874 /nfs/dbraw/zinc/52/18/74/635521874.db2.gz GZVSNMAZKLBILB-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCC1 ZINC000232932805 134558393 /nfs/dbraw/zinc/55/83/93/134558393.db2.gz QFTYCRONLFKZIV-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000232934772 324013409 /nfs/dbraw/zinc/01/34/09/324013409.db2.gz GHJZSWFXJLOMBI-GFCCVEGCSA-N 1 0 239.309 3.760 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232936246 635519656 /nfs/dbraw/zinc/51/96/56/635519656.db2.gz OXOXIHNEXRQYOD-MRXNPFEDSA-N 1 0 247.382 3.940 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232939557 635522955 /nfs/dbraw/zinc/52/29/55/635522955.db2.gz OXOXIHNEXRQYOD-INIZCTEOSA-N 1 0 247.382 3.940 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000232947675 583137363 /nfs/dbraw/zinc/13/73/63/583137363.db2.gz QCYVWVVDXVTKFY-CQSZACIVSA-N 1 0 244.382 3.629 20 0 BHADRO CCCC1(C[NH2+]C2CC(C(C)C)C2)CC1 ZINC000232951040 259658967 /nfs/dbraw/zinc/65/89/67/259658967.db2.gz KFERJLBHCQNYSQ-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000232954303 583137593 /nfs/dbraw/zinc/13/75/93/583137593.db2.gz QCYVWVVDXVTKFY-AWEZNQCLSA-N 1 0 244.382 3.629 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000232961118 635520776 /nfs/dbraw/zinc/52/07/76/635520776.db2.gz LNXNOZCYMAEGDI-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000232961675 583137586 /nfs/dbraw/zinc/13/75/86/583137586.db2.gz USIHUYCAFVEDMT-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](COCC)C(C)C ZINC000232963491 635522845 /nfs/dbraw/zinc/52/28/45/635522845.db2.gz LNXNOZCYMAEGDI-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232966222 357695772 /nfs/dbraw/zinc/69/57/72/357695772.db2.gz NHMJVVPLWPBURJ-OAHLLOKOSA-N 1 0 233.355 3.549 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000232968403 388861387 /nfs/dbraw/zinc/86/13/87/388861387.db2.gz MTBPWGMMSYHNSQ-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000232968445 388860894 /nfs/dbraw/zinc/86/08/94/388860894.db2.gz RJJMFNXEPIEUSD-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000232968495 635520429 /nfs/dbraw/zinc/52/04/29/635520429.db2.gz WMWCSFCBZUEXBL-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000232968588 388860721 /nfs/dbraw/zinc/86/07/21/388860721.db2.gz IGGNTGRDKRAWRV-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000232968633 259659039 /nfs/dbraw/zinc/65/90/39/259659039.db2.gz AIDQUKAMLFUHFS-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232969022 357696237 /nfs/dbraw/zinc/69/62/37/357696237.db2.gz NHMJVVPLWPBURJ-HNNXBMFYSA-N 1 0 233.355 3.549 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000232970091 357696171 /nfs/dbraw/zinc/69/61/71/357696171.db2.gz SHWZQUVUOLMWJQ-NSHDSACASA-N 1 0 223.360 3.983 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000232970249 635521196 /nfs/dbraw/zinc/52/11/96/635521196.db2.gz LNXNOZCYMAEGDI-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCN(C)Cc1ccc(Cl)nc1Cl ZINC000232970921 642637156 /nfs/dbraw/zinc/63/71/56/642637156.db2.gz XPEUIRWOJYUCIA-UHFFFAOYSA-N 1 0 247.169 3.620 20 0 BHADRO CCCCC[N@H+](CCCC(=O)CC)C(C)C ZINC000232972348 388860600 /nfs/dbraw/zinc/86/06/00/388860600.db2.gz QIDJVEPEFXNQNF-UHFFFAOYSA-N 1 0 227.392 3.646 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000232972358 642636644 /nfs/dbraw/zinc/63/66/44/642636644.db2.gz LNXNOZCYMAEGDI-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000232973071 259658926 /nfs/dbraw/zinc/65/89/26/259658926.db2.gz RBYSWMMWJLKWBN-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000232973659 388861524 /nfs/dbraw/zinc/86/15/24/388861524.db2.gz FCNUAQSAWAYBIY-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000232973819 388860509 /nfs/dbraw/zinc/86/05/09/388860509.db2.gz XAMBYAVFMLUYDW-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1 ZINC000232973985 388860836 /nfs/dbraw/zinc/86/08/36/388860836.db2.gz ATWSFQNMVQFJJC-LBPRGKRZSA-N 1 0 205.345 3.773 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1F ZINC000232974259 259658928 /nfs/dbraw/zinc/65/89/28/259658928.db2.gz ONKLNWRCPUSRRD-NSHDSACASA-N 1 0 223.335 3.913 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000232974374 388861391 /nfs/dbraw/zinc/86/13/91/388861391.db2.gz ZFKJKHXJFRSHOU-LBPRGKRZSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000232974738 535354081 /nfs/dbraw/zinc/35/40/81/535354081.db2.gz GCGIXZUERHPOEG-VIFPVBQESA-N 1 0 226.389 3.538 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000232974922 537815219 /nfs/dbraw/zinc/81/52/19/537815219.db2.gz FEJDXQKLSDFKCW-VIFPVBQESA-N 1 0 240.416 3.847 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cnccc1C ZINC000232975111 388861020 /nfs/dbraw/zinc/86/10/20/388861020.db2.gz XWLRJUFHVBMEBX-OAHLLOKOSA-N 1 0 234.387 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000232975873 642637413 /nfs/dbraw/zinc/63/74/13/642637413.db2.gz VKJFLLMNZHRETC-LBPRGKRZSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000232975935 388860676 /nfs/dbraw/zinc/86/06/76/388860676.db2.gz QDPZILWTPRNWDV-NSHDSACASA-N 1 0 249.354 3.502 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000232980977 388861162 /nfs/dbraw/zinc/86/11/62/388861162.db2.gz HRPDCADTFCGBTI-UHFFFAOYSA-N 1 0 247.382 3.679 20 0 BHADRO CCC(CC)(CNc1cc[nH+]cc1C)SC ZINC000232981599 642643309 /nfs/dbraw/zinc/64/33/09/642643309.db2.gz AYCQODLYNXWMCL-UHFFFAOYSA-N 1 0 238.400 3.724 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232982762 357688197 /nfs/dbraw/zinc/68/81/97/357688197.db2.gz ZXWPFLNAUGYUDH-OAHLLOKOSA-N 1 0 247.382 3.795 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCc2occc21 ZINC000232982944 357688240 /nfs/dbraw/zinc/68/82/40/357688240.db2.gz KHTKSJHTJKJRBB-GFCCVEGCSA-N 1 0 221.344 3.683 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000232984793 388860472 /nfs/dbraw/zinc/86/04/72/388860472.db2.gz HVLXDOHZUXHBSL-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000232985012 259658828 /nfs/dbraw/zinc/65/88/28/259658828.db2.gz NFYLXRFVWGSCMK-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000232985182 388860752 /nfs/dbraw/zinc/86/07/52/388860752.db2.gz RCKUEASFAMNVLX-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000232990862 388860656 /nfs/dbraw/zinc/86/06/56/388860656.db2.gz MTBPWGMMSYHNSQ-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000232990904 388860560 /nfs/dbraw/zinc/86/05/60/388860560.db2.gz RJJMFNXEPIEUSD-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000232990944 635520878 /nfs/dbraw/zinc/52/08/78/635520878.db2.gz WMWCSFCBZUEXBL-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000232991014 388860937 /nfs/dbraw/zinc/86/09/37/388860937.db2.gz IGGNTGRDKRAWRV-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000232991051 259658985 /nfs/dbraw/zinc/65/89/85/259658985.db2.gz AIDQUKAMLFUHFS-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CCC1(C[NH2+]C2CC(C(C)C)C2)CCC1 ZINC000232991127 388861480 /nfs/dbraw/zinc/86/14/80/388861480.db2.gz JLMYQYZJYBBWGX-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000232992252 535354092 /nfs/dbraw/zinc/35/40/92/535354092.db2.gz SHWZQUVUOLMWJQ-LLVKDONJSA-N 1 0 223.360 3.983 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000232994342 322954783 /nfs/dbraw/zinc/95/47/83/322954783.db2.gz RBYSWMMWJLKWBN-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000232994795 385906463 /nfs/dbraw/zinc/90/64/63/385906463.db2.gz FCNUAQSAWAYBIY-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000232994910 385906734 /nfs/dbraw/zinc/90/67/34/385906734.db2.gz XAMBYAVFMLUYDW-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccccc1 ZINC000232995025 388860947 /nfs/dbraw/zinc/86/09/47/388860947.db2.gz ATWSFQNMVQFJJC-GFCCVEGCSA-N 1 0 205.345 3.773 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccccc1F ZINC000232995204 388861350 /nfs/dbraw/zinc/86/13/50/388861350.db2.gz ONKLNWRCPUSRRD-LLVKDONJSA-N 1 0 223.335 3.913 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccccc1OC ZINC000232995283 388861166 /nfs/dbraw/zinc/86/11/66/388861166.db2.gz ZFKJKHXJFRSHOU-GFCCVEGCSA-N 1 0 235.371 3.782 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1csc(C)n1 ZINC000232995560 363390601 /nfs/dbraw/zinc/39/06/01/363390601.db2.gz GCGIXZUERHPOEG-SECBINFHSA-N 1 0 226.389 3.538 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000232995661 541376200 /nfs/dbraw/zinc/37/62/00/541376200.db2.gz FEJDXQKLSDFKCW-SECBINFHSA-N 1 0 240.416 3.847 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000232996388 642644544 /nfs/dbraw/zinc/64/45/44/642644544.db2.gz VKJFLLMNZHRETC-GFCCVEGCSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000232996431 259659467 /nfs/dbraw/zinc/65/94/67/259659467.db2.gz QDPZILWTPRNWDV-LLVKDONJSA-N 1 0 249.354 3.502 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233001726 357691956 /nfs/dbraw/zinc/69/19/56/357691956.db2.gz ZXWPFLNAUGYUDH-HNNXBMFYSA-N 1 0 247.382 3.795 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000233001840 535354309 /nfs/dbraw/zinc/35/43/09/535354309.db2.gz KHTKSJHTJKJRBB-LBPRGKRZSA-N 1 0 221.344 3.683 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000233003131 388860952 /nfs/dbraw/zinc/86/09/52/388860952.db2.gz HVLXDOHZUXHBSL-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000233003269 259333572 /nfs/dbraw/zinc/33/35/72/259333572.db2.gz NFYLXRFVWGSCMK-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000233003374 388861549 /nfs/dbraw/zinc/86/15/49/388861549.db2.gz RCKUEASFAMNVLX-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cnccc1C ZINC000233005396 388861051 /nfs/dbraw/zinc/86/10/51/388861051.db2.gz XWLRJUFHVBMEBX-HNNXBMFYSA-N 1 0 234.387 3.839 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000233006313 357691961 /nfs/dbraw/zinc/69/19/61/357691961.db2.gz BEDHMYRRRBOJIV-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3cccnc32)CCC1 ZINC000233006771 541376196 /nfs/dbraw/zinc/37/61/96/541376196.db2.gz KRJBPDWKAUDAKT-CQSZACIVSA-N 1 0 244.382 3.629 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]CC1(SC)CC1 ZINC000233009728 388861118 /nfs/dbraw/zinc/86/11/18/388861118.db2.gz WIPVASFPDJWMHI-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000233022749 357692074 /nfs/dbraw/zinc/69/20/74/357692074.db2.gz BEDHMYRRRBOJIV-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3cccnc32)CCC1 ZINC000233023046 711714009 /nfs/dbraw/zinc/71/40/09/711714009.db2.gz KRJBPDWKAUDAKT-AWEZNQCLSA-N 1 0 244.382 3.629 20 0 BHADRO CC1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCCCC1 ZINC000233023713 487686504 /nfs/dbraw/zinc/68/65/04/487686504.db2.gz KJYQUXVDORAWEW-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C[NH2+][C@H]2CCOC(C)(C)C2)CCCCC1 ZINC000233030280 487689255 /nfs/dbraw/zinc/68/92/55/487689255.db2.gz KJYQUXVDORAWEW-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](COCC)C(C)C ZINC000233032472 388861508 /nfs/dbraw/zinc/86/15/08/388861508.db2.gz WQEGBOAQQPZJFS-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](COCC)C(C)C ZINC000233033438 259659251 /nfs/dbraw/zinc/65/92/51/259659251.db2.gz WQEGBOAQQPZJFS-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CCC1(C[NH2+]Cc2cc(C)c(O)c(C)c2)CCC1 ZINC000233054067 259659719 /nfs/dbraw/zinc/65/97/19/259659719.db2.gz WUQRNJVGSUOYIW-UHFFFAOYSA-N 1 0 247.382 3.679 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000233057546 325176323 /nfs/dbraw/zinc/17/63/23/325176323.db2.gz WFHVGDBQRBFHDZ-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO CCC1(C[NH2+]Cc2cncn2C(C)C)CCCC1 ZINC000233063704 357693929 /nfs/dbraw/zinc/69/39/29/357693929.db2.gz JYNFKVABNHDCHP-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H](OC)C2)CCCC1 ZINC000233089035 541377992 /nfs/dbraw/zinc/37/79/92/541377992.db2.gz AAQDPIIKCJQGKM-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H](OC)C2)CCCC1 ZINC000233089489 541377987 /nfs/dbraw/zinc/37/79/87/541377987.db2.gz AAQDPIIKCJQGKM-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCCC1 ZINC000233089729 487690058 /nfs/dbraw/zinc/69/00/58/487690058.db2.gz UCZPREXNWNSBOD-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000233122081 642650790 /nfs/dbraw/zinc/65/07/90/642650790.db2.gz BYGOULVSJORQKN-NSHDSACASA-N 1 0 226.751 3.576 20 0 BHADRO CCC[NH2+][C@H](CCC)c1ncccc1Cl ZINC000233165914 642650647 /nfs/dbraw/zinc/65/06/47/642650647.db2.gz BYGOULVSJORQKN-LLVKDONJSA-N 1 0 226.751 3.576 20 0 BHADRO CCCOc1cccc(C[NH2+]CC=C(C)C)c1 ZINC000233244253 259334387 /nfs/dbraw/zinc/33/43/87/259334387.db2.gz VHWKZSFLXWABHU-UHFFFAOYSA-N 1 0 233.355 3.531 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000233277832 541382192 /nfs/dbraw/zinc/38/21/92/541382192.db2.gz IVXQWWCIQTWBLN-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233279062 487704805 /nfs/dbraw/zinc/70/48/05/487704805.db2.gz WJZLVLRTJMTSKM-IAQYHMDHSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233279585 488126322 /nfs/dbraw/zinc/12/63/22/488126322.db2.gz WJZLVLRTJMTSKM-ABAIWWIYSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000233287548 634599805 /nfs/dbraw/zinc/59/98/05/634599805.db2.gz ZEAJGLKRGYXJMB-MRXNPFEDSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233288206 134561837 /nfs/dbraw/zinc/56/18/37/134561837.db2.gz MKVZHYSNAWPNOJ-CZUORRHYSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233288551 357713291 /nfs/dbraw/zinc/71/32/91/357713291.db2.gz MKVZHYSNAWPNOJ-CJNGLKHVSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233338762 487711074 /nfs/dbraw/zinc/71/10/74/487711074.db2.gz WJZLVLRTJMTSKM-XHDPSFHLSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233339067 487710856 /nfs/dbraw/zinc/71/08/56/487710856.db2.gz WJZLVLRTJMTSKM-NHYWBVRUSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000233346177 566358492 /nfs/dbraw/zinc/35/84/92/566358492.db2.gz ZEAJGLKRGYXJMB-INIZCTEOSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233347228 134561816 /nfs/dbraw/zinc/56/18/16/134561816.db2.gz MKVZHYSNAWPNOJ-XJKSGUPXSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233347720 134561566 /nfs/dbraw/zinc/56/15/66/134561566.db2.gz MKVZHYSNAWPNOJ-BBRMVZONSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000233356228 487712296 /nfs/dbraw/zinc/71/22/96/487712296.db2.gz ZXLGTHUUGOLVKH-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000233356411 487711794 /nfs/dbraw/zinc/71/17/94/487711794.db2.gz ZXLGTHUUGOLVKH-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)nc1Cl)C(C)C ZINC000233470454 363404032 /nfs/dbraw/zinc/40/40/32/363404032.db2.gz NLJXUUPFCQIZCU-UHFFFAOYSA-N 1 0 247.169 3.619 20 0 BHADRO CCOC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(C)C ZINC000233723749 259663095 /nfs/dbraw/zinc/66/30/95/259663095.db2.gz XFRNQXKHMNXRMY-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+]C1CCC(CC)CC1)C(C)C ZINC000233723770 323104718 /nfs/dbraw/zinc/10/47/18/323104718.db2.gz AAZJVNFRMQRNQZ-YMAMQOFZSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000233746460 388347935 /nfs/dbraw/zinc/34/79/35/388347935.db2.gz ZGVGNFDUTQQDBW-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(C)C ZINC000233747546 388348754 /nfs/dbraw/zinc/34/87/54/388348754.db2.gz AUQVPLGOFZXEPW-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)C(C)C ZINC000233748036 388348391 /nfs/dbraw/zinc/34/83/91/388348391.db2.gz IOYJHDKYNQSQCH-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](CC)c1ccccc1)C(C)C ZINC000233749090 357742742 /nfs/dbraw/zinc/74/27/42/357742742.db2.gz WSJLYLAOGKTFRK-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)C ZINC000233749619 388348283 /nfs/dbraw/zinc/34/82/83/388348283.db2.gz VHXDQCQCWVHGLE-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000233752710 388348567 /nfs/dbraw/zinc/34/85/67/388348567.db2.gz ZGVGNFDUTQQDBW-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C(C)C ZINC000233753630 388347842 /nfs/dbraw/zinc/34/78/42/388347842.db2.gz AUQVPLGOFZXEPW-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)C(C)C ZINC000233754006 388347878 /nfs/dbraw/zinc/34/78/78/388347878.db2.gz IOYJHDKYNQSQCH-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](CC)c1ccccc1)C(C)C ZINC000233755246 357744327 /nfs/dbraw/zinc/74/43/27/357744327.db2.gz WSJLYLAOGKTFRK-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)C ZINC000233755611 388347967 /nfs/dbraw/zinc/34/79/67/388347967.db2.gz VHXDQCQCWVHGLE-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+]C1CCC(C)(C)CC1)C(C)C ZINC000233769864 259663319 /nfs/dbraw/zinc/66/33/19/259663319.db2.gz XFRNQXKHMNXRMY-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+]C1CCC(CC)CC1)C(C)C ZINC000233769872 388348050 /nfs/dbraw/zinc/34/80/50/388348050.db2.gz AAZJVNFRMQRNQZ-NRXISQOPSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000233786558 517708374 /nfs/dbraw/zinc/70/83/74/517708374.db2.gz ZGVGNFDUTQQDBW-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(C)C ZINC000233787174 259663317 /nfs/dbraw/zinc/66/33/17/259663317.db2.gz AUQVPLGOFZXEPW-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)C(C)C ZINC000233787383 388349638 /nfs/dbraw/zinc/34/96/38/388349638.db2.gz IOYJHDKYNQSQCH-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](CC)c1ccccc1)C(C)C ZINC000233787851 134568914 /nfs/dbraw/zinc/56/89/14/134568914.db2.gz WSJLYLAOGKTFRK-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)C ZINC000233788031 259663135 /nfs/dbraw/zinc/66/31/35/259663135.db2.gz VHXDQCQCWVHGLE-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(C)C ZINC000233788309 259663205 /nfs/dbraw/zinc/66/32/05/259663205.db2.gz MMBMSKFRQXRGMZ-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000233790143 259663232 /nfs/dbraw/zinc/66/32/32/259663232.db2.gz ZGVGNFDUTQQDBW-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C(C)C ZINC000233790945 388349337 /nfs/dbraw/zinc/34/93/37/388349337.db2.gz AUQVPLGOFZXEPW-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)c1cccc(C)c1)C(C)C ZINC000233791269 388349669 /nfs/dbraw/zinc/34/96/69/388349669.db2.gz IOYJHDKYNQSQCH-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CCOC[C@H]([NH2+][C@H](CC)c1ccccc1)C(C)C ZINC000233791982 357749517 /nfs/dbraw/zinc/74/95/17/357749517.db2.gz WSJLYLAOGKTFRK-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CCOC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)C ZINC000233792245 388349075 /nfs/dbraw/zinc/34/90/75/388349075.db2.gz VHXDQCQCWVHGLE-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(C)C ZINC000233792669 388349656 /nfs/dbraw/zinc/34/96/56/388349656.db2.gz MMBMSKFRQXRGMZ-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000233820299 388349401 /nfs/dbraw/zinc/34/94/01/388349401.db2.gz OPTXZIPJEHTPMX-PNESKVBLSA-N 1 0 229.433 3.542 20 0 BHADRO CCOc1cccc(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000233822777 388349741 /nfs/dbraw/zinc/34/97/41/388349741.db2.gz BUUFXKLNLSROFH-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000233849601 642701421 /nfs/dbraw/zinc/70/14/21/642701421.db2.gz QUOSLKCUXVKVFZ-VXGBXAGGSA-N 1 0 241.425 3.512 20 0 BHADRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000233849697 642702917 /nfs/dbraw/zinc/70/29/17/642702917.db2.gz QUOSLKCUXVKVFZ-NEPJUHHUSA-N 1 0 241.425 3.512 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000233851526 642701783 /nfs/dbraw/zinc/70/17/83/642701783.db2.gz SIYWCIZCWHDXTA-MRVPVSSYSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000233856619 537859112 /nfs/dbraw/zinc/85/91/12/537859112.db2.gz XMEZKFAFYMLQDA-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000233864444 537858843 /nfs/dbraw/zinc/85/88/43/537858843.db2.gz XMEZKFAFYMLQDA-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CC=C(C)C ZINC000233886999 388349530 /nfs/dbraw/zinc/34/95/30/388349530.db2.gz WATLTNQXDBERBK-HNNXBMFYSA-N 1 0 217.356 3.564 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1nccs1 ZINC000233893088 259664448 /nfs/dbraw/zinc/66/44/48/259664448.db2.gz NNMMPMDCTWAXJT-HTAVTVPLSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CC)c1ccc(F)cn1 ZINC000233898188 487632672 /nfs/dbraw/zinc/63/26/72/487632672.db2.gz SCEDQVYLXLWLEX-GFCCVEGCSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccc(F)cc1 ZINC000233904661 357761711 /nfs/dbraw/zinc/76/17/11/357761711.db2.gz GJTJALWQWBBIDJ-CQSZACIVSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1cccc(F)c1 ZINC000233904687 357762184 /nfs/dbraw/zinc/76/21/84/357762184.db2.gz VZHYGTSTWLLUCL-CQSZACIVSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccccc1F ZINC000233904701 357761792 /nfs/dbraw/zinc/76/17/92/357761792.db2.gz UEARYEBMWSEVEY-CQSZACIVSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccc2c(c1)CCO2 ZINC000233904713 642708035 /nfs/dbraw/zinc/70/80/35/642708035.db2.gz MLCZQOQJTXGINF-OAHLLOKOSA-N 1 0 245.366 3.628 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCCCOC)CC1 ZINC000233909233 487751521 /nfs/dbraw/zinc/75/15/21/487751521.db2.gz RKSFCUPPDLUMRJ-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCCOC)CC1 ZINC000233914552 490124061 /nfs/dbraw/zinc/12/40/61/490124061.db2.gz RKSFCUPPDLUMRJ-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000233920410 487752614 /nfs/dbraw/zinc/75/26/14/487752614.db2.gz NAWBBFADPYDCTR-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)CCO1 ZINC000233949827 487755409 /nfs/dbraw/zinc/75/54/09/487755409.db2.gz GPVUWIUFIVLTAI-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC2(CC)CCCC2)CCO1 ZINC000233949869 487755435 /nfs/dbraw/zinc/75/54/35/487755435.db2.gz IFNMLESVGFIYMG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC2(C)CCCCC2)CCO1 ZINC000233957553 488128197 /nfs/dbraw/zinc/12/81/97/488128197.db2.gz GPVUWIUFIVLTAI-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC2(CC)CCCC2)CCO1 ZINC000233957588 487754495 /nfs/dbraw/zinc/75/44/95/487754495.db2.gz IFNMLESVGFIYMG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)CC2)CCO1 ZINC000233958587 487754603 /nfs/dbraw/zinc/75/46/03/487754603.db2.gz IEYUSVGOABWTNF-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000233978540 643142374 /nfs/dbraw/zinc/14/23/74/643142374.db2.gz SIYWCIZCWHDXTA-QMMMGPOBSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000233986851 635297032 /nfs/dbraw/zinc/29/70/32/635297032.db2.gz XMEZKFAFYMLQDA-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233992066 357765038 /nfs/dbraw/zinc/76/50/38/357765038.db2.gz KBBQJLKHTUWRTK-HWWQOWPSSA-N 1 0 247.382 3.794 20 0 BHADRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000233993146 643157822 /nfs/dbraw/zinc/15/78/22/643157822.db2.gz QUOSLKCUXVKVFZ-NWDGAFQWSA-N 1 0 241.425 3.512 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000233995673 635294404 /nfs/dbraw/zinc/29/44/04/635294404.db2.gz XMEZKFAFYMLQDA-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233999465 357765207 /nfs/dbraw/zinc/76/52/07/357765207.db2.gz KBBQJLKHTUWRTK-MQIPJXDCSA-N 1 0 247.382 3.794 20 0 BHADRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(C)C ZINC000233999482 388351479 /nfs/dbraw/zinc/35/14/79/388351479.db2.gz OGRQLOJCBJOFKI-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000234017028 388351559 /nfs/dbraw/zinc/35/15/59/388351559.db2.gz GKBCGEJFMDFJKT-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000234018941 259665570 /nfs/dbraw/zinc/66/55/70/259665570.db2.gz GKBCGEJFMDFJKT-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC)c1ccc(F)cn1 ZINC000234026115 388351575 /nfs/dbraw/zinc/35/15/75/388351575.db2.gz SCEDQVYLXLWLEX-LBPRGKRZSA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CC=C(C)C ZINC000234034630 398116472 /nfs/dbraw/zinc/11/64/72/398116472.db2.gz WATLTNQXDBERBK-OAHLLOKOSA-N 1 0 217.356 3.564 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccc(F)cc1 ZINC000234037099 357768183 /nfs/dbraw/zinc/76/81/83/357768183.db2.gz GJTJALWQWBBIDJ-AWEZNQCLSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1cccc(F)c1 ZINC000234037148 357768254 /nfs/dbraw/zinc/76/82/54/357768254.db2.gz VZHYGTSTWLLUCL-AWEZNQCLSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccccc1F ZINC000234037167 357768169 /nfs/dbraw/zinc/76/81/69/357768169.db2.gz UEARYEBMWSEVEY-AWEZNQCLSA-N 1 0 221.319 3.833 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccc2c(c1)CCO2 ZINC000234037200 711469634 /nfs/dbraw/zinc/46/96/34/711469634.db2.gz MLCZQOQJTXGINF-HNNXBMFYSA-N 1 0 245.366 3.628 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000234056230 388353514 /nfs/dbraw/zinc/35/35/14/388353514.db2.gz NAHKIRCRJNHNGD-MRVWCRGKSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000234057196 388353465 /nfs/dbraw/zinc/35/34/65/388353465.db2.gz NAHKIRCRJNHNGD-KWCYVHTRSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(C)C)C1)c1nccs1 ZINC000234066392 388353348 /nfs/dbraw/zinc/35/33/48/388353348.db2.gz NNMMPMDCTWAXJT-MCIGGMRASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCCCOC)CC1 ZINC000234067974 487758904 /nfs/dbraw/zinc/75/89/04/487758904.db2.gz RKSFCUPPDLUMRJ-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)CCO1 ZINC000234082995 487759776 /nfs/dbraw/zinc/75/97/76/487759776.db2.gz GPVUWIUFIVLTAI-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC2(CC)CCCC2)CCO1 ZINC000234083082 487760537 /nfs/dbraw/zinc/76/05/37/487760537.db2.gz IFNMLESVGFIYMG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC2(C)CCCCC2)CCO1 ZINC000234099509 487762059 /nfs/dbraw/zinc/76/20/59/487762059.db2.gz GPVUWIUFIVLTAI-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC2(CC)CCCC2)CCO1 ZINC000234099577 487762130 /nfs/dbraw/zinc/76/21/30/487762130.db2.gz IFNMLESVGFIYMG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCCCOC)CC1 ZINC000234100378 488128605 /nfs/dbraw/zinc/12/86/05/488128605.db2.gz RKSFCUPPDLUMRJ-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO CCc1ccccc1C[NH2+]CC1(SC)CCC1 ZINC000234116133 259337709 /nfs/dbraw/zinc/33/77/09/259337709.db2.gz DRUUASSVYQWUOA-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC=C(C)C)s1 ZINC000234138388 388353332 /nfs/dbraw/zinc/35/33/32/388353332.db2.gz GUIUZZUETIZZPM-LLVKDONJSA-N 1 0 223.385 3.927 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC=C(C)C)s1 ZINC000234151668 388353278 /nfs/dbraw/zinc/35/32/78/388353278.db2.gz GUIUZZUETIZZPM-NSHDSACASA-N 1 0 223.385 3.927 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000234622022 342933148 /nfs/dbraw/zinc/93/31/48/342933148.db2.gz BYRFADJNJLHLNC-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000234623103 384885698 /nfs/dbraw/zinc/88/56/98/384885698.db2.gz WQNXCSBDZCTURK-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000234623741 388357903 /nfs/dbraw/zinc/35/79/03/388357903.db2.gz WQNXCSBDZCTURK-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+]CCC1CCCCC1 ZINC000234624028 388357606 /nfs/dbraw/zinc/35/76/06/388357606.db2.gz QUHLBQGTNJIZAG-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO COCCCCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000234629437 342933241 /nfs/dbraw/zinc/93/32/41/342933241.db2.gz BYRFADJNJLHLNC-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000234630304 388357669 /nfs/dbraw/zinc/35/76/69/388357669.db2.gz WQNXCSBDZCTURK-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000234630822 388357636 /nfs/dbraw/zinc/35/76/36/388357636.db2.gz WQNXCSBDZCTURK-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO COC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000234706017 537871345 /nfs/dbraw/zinc/87/13/45/537871345.db2.gz URMYSXGKBOEXKH-UKRRQHHQSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000234713300 537871072 /nfs/dbraw/zinc/87/10/72/537871072.db2.gz URMYSXGKBOEXKH-DZGCQCFKSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000234746670 537931214 /nfs/dbraw/zinc/93/12/14/537931214.db2.gz URMYSXGKBOEXKH-HIFRSBDPSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000234751950 537872861 /nfs/dbraw/zinc/87/28/61/537872861.db2.gz URMYSXGKBOEXKH-ZFWWWQNUSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC2(C)CCCCC2)C1 ZINC000234766366 537871865 /nfs/dbraw/zinc/87/18/65/537871865.db2.gz KVRKTCDRIGXGQG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000234766892 537870887 /nfs/dbraw/zinc/87/08/87/537870887.db2.gz WSWBHEFQLRAIJG-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC2(C)CCCCC2)C1 ZINC000234823069 537877008 /nfs/dbraw/zinc/87/70/08/537877008.db2.gz KVRKTCDRIGXGQG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000234823468 537877146 /nfs/dbraw/zinc/87/71/46/537877146.db2.gz WSWBHEFQLRAIJG-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC2(C)CCCCC2)C1 ZINC000234825280 537877672 /nfs/dbraw/zinc/87/76/72/537877672.db2.gz KVRKTCDRIGXGQG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000234825659 541389502 /nfs/dbraw/zinc/38/95/02/541389502.db2.gz WSWBHEFQLRAIJG-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000234829738 537878393 /nfs/dbraw/zinc/87/83/93/537878393.db2.gz DBFNUERDHHSMMF-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC=C(C)C ZINC000234836606 342957773 /nfs/dbraw/zinc/95/77/73/342957773.db2.gz BABWVPWQGPWRQU-ZDUSSCGKSA-N 1 0 233.355 3.620 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC2(C)CCCCC2)C1 ZINC000234837881 537879557 /nfs/dbraw/zinc/87/95/57/537879557.db2.gz KVRKTCDRIGXGQG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000234838248 537879596 /nfs/dbraw/zinc/87/95/96/537879596.db2.gz WSWBHEFQLRAIJG-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000234881947 388361565 /nfs/dbraw/zinc/36/15/65/388361565.db2.gz LJQUPSVODJDAFA-IYXRBSQSSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000234889745 259670412 /nfs/dbraw/zinc/67/04/12/259670412.db2.gz ULTKMAZQIJDMME-GXTWGEPZSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000234889785 259670632 /nfs/dbraw/zinc/67/06/32/259670632.db2.gz ULTKMAZQIJDMME-TZMCWYRMSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000234891130 388362509 /nfs/dbraw/zinc/36/25/09/388362509.db2.gz ULTKMAZQIJDMME-JSGCOSHPSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000234891166 259670556 /nfs/dbraw/zinc/67/05/56/259670556.db2.gz ULTKMAZQIJDMME-OCCSQVGLSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)cc1 ZINC000234925108 388363112 /nfs/dbraw/zinc/36/31/12/388363112.db2.gz VTCJZCNBGJOCLS-WFASDCNBSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)cc1 ZINC000234925230 259670558 /nfs/dbraw/zinc/67/05/58/259670558.db2.gz VTCJZCNBGJOCLS-DOMZBBRYSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)cc1 ZINC000234945307 259670358 /nfs/dbraw/zinc/67/03/58/259670358.db2.gz VTCJZCNBGJOCLS-SWLSCSKDSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)cc1 ZINC000234945406 388363132 /nfs/dbraw/zinc/36/31/32/388363132.db2.gz VTCJZCNBGJOCLS-IUODEOHRSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC=C(C)C ZINC000234962285 342968096 /nfs/dbraw/zinc/96/80/96/342968096.db2.gz BABWVPWQGPWRQU-CYBMUJFWSA-N 1 0 233.355 3.620 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CC(C(C)C)C2)cc1 ZINC000234963785 259671095 /nfs/dbraw/zinc/67/10/95/259671095.db2.gz NDVVMYAHTDJDCV-GRTSSRMGSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CC=C(C)C)CCC2 ZINC000234968666 357837460 /nfs/dbraw/zinc/83/74/60/357837460.db2.gz ULYJNRDHXIEMEB-MRXNPFEDSA-N 1 0 245.366 3.628 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CC=C(C)C)CCC2 ZINC000234970077 357837505 /nfs/dbraw/zinc/83/75/05/357837505.db2.gz ULYJNRDHXIEMEB-INIZCTEOSA-N 1 0 245.366 3.628 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2CC(C(C)C)C2)c1 ZINC000234974577 259339899 /nfs/dbraw/zinc/33/98/99/259339899.db2.gz ZXKQMERDOOBWEL-LRVUVFPRSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC=C(C)C ZINC000234990005 357842711 /nfs/dbraw/zinc/84/27/11/357842711.db2.gz TWVPEHDMWHJMRJ-INIZCTEOSA-N 1 0 245.366 3.628 20 0 BHADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC=C(C)C ZINC000234993092 357842788 /nfs/dbraw/zinc/84/27/88/357842788.db2.gz TWVPEHDMWHJMRJ-MRXNPFEDSA-N 1 0 245.366 3.628 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CC(C(C)C)C2)cc1 ZINC000234997741 388364396 /nfs/dbraw/zinc/36/43/96/388364396.db2.gz NDVVMYAHTDJDCV-LRVUVFPRSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000234999471 388363849 /nfs/dbraw/zinc/36/38/49/388363849.db2.gz UYLRIMNUNVPLOD-SWLSCSKDSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c1 ZINC000234999507 388364036 /nfs/dbraw/zinc/36/40/36/388364036.db2.gz UYLRIMNUNVPLOD-IUODEOHRSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000235002869 388364253 /nfs/dbraw/zinc/36/42/53/388364253.db2.gz UYLRIMNUNVPLOD-WFASDCNBSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c1 ZINC000235002904 388364222 /nfs/dbraw/zinc/36/42/22/388364222.db2.gz UYLRIMNUNVPLOD-DOMZBBRYSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2CC(C(C)C)C2)c1 ZINC000235013797 388363908 /nfs/dbraw/zinc/36/39/08/388363908.db2.gz ZXKQMERDOOBWEL-GRTSSRMGSA-N 1 0 247.382 3.780 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000235029318 357845884 /nfs/dbraw/zinc/84/58/84/357845884.db2.gz HMYXXGVJKZNIPN-GXTWGEPZSA-N 1 0 241.444 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235029350 357846070 /nfs/dbraw/zinc/84/60/70/357846070.db2.gz HMYXXGVJKZNIPN-TZMCWYRMSA-N 1 0 241.444 3.712 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000235029380 631822607 /nfs/dbraw/zinc/82/26/07/631822607.db2.gz VWIZDJUCJWMGTA-WCQYABFASA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235029415 631822920 /nfs/dbraw/zinc/82/29/20/631822920.db2.gz VWIZDJUCJWMGTA-DGCLKSJQSA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000235030094 635565056 /nfs/dbraw/zinc/56/50/56/635565056.db2.gz VWIZDJUCJWMGTA-AAEUAGOBSA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235030137 631822596 /nfs/dbraw/zinc/82/25/96/631822596.db2.gz VWIZDJUCJWMGTA-YPMHNXCESA-N 1 0 241.444 3.710 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000235030367 357846073 /nfs/dbraw/zinc/84/60/73/357846073.db2.gz HMYXXGVJKZNIPN-JSGCOSHPSA-N 1 0 241.444 3.712 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235030399 357846163 /nfs/dbraw/zinc/84/61/63/357846163.db2.gz HMYXXGVJKZNIPN-OCCSQVGLSA-N 1 0 241.444 3.712 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235034790 711585952 /nfs/dbraw/zinc/58/59/52/711585952.db2.gz HZKUDNUKOXYCPH-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000235034813 711586168 /nfs/dbraw/zinc/58/61/68/711586168.db2.gz HZKUDNUKOXYCPH-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235036257 631865042 /nfs/dbraw/zinc/86/50/42/631865042.db2.gz HZKUDNUKOXYCPH-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000235036289 643253572 /nfs/dbraw/zinc/25/35/72/643253572.db2.gz HZKUDNUKOXYCPH-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235058125 631911398 /nfs/dbraw/zinc/91/13/98/631911398.db2.gz QFLKPSGNUDKGQK-KWCYVHTRSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235058717 631912450 /nfs/dbraw/zinc/91/24/50/631912450.db2.gz QFLKPSGNUDKGQK-XBFCOCLRSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235063442 643254858 /nfs/dbraw/zinc/25/48/58/643254858.db2.gz AEJMQKMBTHAXPT-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235064790 631912689 /nfs/dbraw/zinc/91/26/89/631912689.db2.gz AEJMQKMBTHAXPT-SRVKXCTJSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000235069656 259671498 /nfs/dbraw/zinc/67/14/98/259671498.db2.gz HGQASAHLTKGWKR-JTQLQIEISA-N 1 0 223.282 3.663 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000235071252 259341185 /nfs/dbraw/zinc/34/11/85/259341185.db2.gz CAPIVJHYLCAFCC-CORIIIEPSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000235071930 259671955 /nfs/dbraw/zinc/67/19/55/259671955.db2.gz CAPIVJHYLCAFCC-WHOFXGATSA-N 1 0 221.388 3.757 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000235072936 631916512 /nfs/dbraw/zinc/91/65/12/631916512.db2.gz DMXDRXBANGHULE-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235077249 134587612 /nfs/dbraw/zinc/58/76/12/134587612.db2.gz IJHIDOGYRIAYDG-MEDUHNTESA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235078368 357847074 /nfs/dbraw/zinc/84/70/74/357847074.db2.gz IJHIDOGYRIAYDG-ZBEGNZNMSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000235090516 388365408 /nfs/dbraw/zinc/36/54/08/388365408.db2.gz GBPQKBXZNJXJTD-HNNXBMFYSA-N 1 0 231.383 3.872 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000235090768 388365316 /nfs/dbraw/zinc/36/53/16/388365316.db2.gz WSFOYFCMMYCAJF-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000235093469 259426104 /nfs/dbraw/zinc/42/61/04/259426104.db2.gz WSFOYFCMMYCAJF-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CSCCCCCC[NH2+]C1CC(C(C)C)C1 ZINC000235102017 631952256 /nfs/dbraw/zinc/95/22/56/631952256.db2.gz OOKVSZCEWBUVDS-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CC[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000235104250 388365309 /nfs/dbraw/zinc/36/53/09/388365309.db2.gz BREFLRYLXFSHDC-AWEZNQCLSA-N 1 0 231.383 3.960 20 0 BHADRO CC(C)=CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000235105141 388365216 /nfs/dbraw/zinc/36/52/16/388365216.db2.gz JBIFEXNGIKRUIO-AWEZNQCLSA-N 1 0 217.356 3.736 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000235109022 631960596 /nfs/dbraw/zinc/96/05/96/631960596.db2.gz DMXDRXBANGHULE-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000235117960 388365081 /nfs/dbraw/zinc/36/50/81/388365081.db2.gz WSFOYFCMMYCAJF-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000235119520 388364850 /nfs/dbraw/zinc/36/48/50/388364850.db2.gz WSFOYFCMMYCAJF-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000235128825 388365338 /nfs/dbraw/zinc/36/53/38/388365338.db2.gz DPXYSVQNWYNHML-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO CSCCCCC[NH2+]C1CC(C(C)C)C1 ZINC000235130281 259671523 /nfs/dbraw/zinc/67/15/23/259671523.db2.gz FXZVPHZYTIKJQC-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CSC1(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000235132899 357846959 /nfs/dbraw/zinc/84/69/59/357846959.db2.gz HTJIBGNLPPZYMJ-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000235134107 259342490 /nfs/dbraw/zinc/34/24/90/259342490.db2.gz IYDSWWJCPRSDRR-HHTDUIENSA-N 1 0 241.444 3.685 20 0 BHADRO CSC1(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000235135582 357846662 /nfs/dbraw/zinc/84/66/62/357846662.db2.gz HHTHSVCDOGPLNQ-UHFFFAOYSA-N 1 0 247.407 3.549 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000235147236 635570133 /nfs/dbraw/zinc/57/01/33/635570133.db2.gz DMXDRXBANGHULE-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)Cc2ccco2)C1 ZINC000235160081 635570950 /nfs/dbraw/zinc/57/09/50/635570950.db2.gz MZDCWPNYKSYEAK-AEGPPILISA-N 1 0 247.382 3.793 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000235160820 388366319 /nfs/dbraw/zinc/36/63/19/388366319.db2.gz IYDSWWJCPRSDRR-FKZOYECMSA-N 1 0 241.444 3.685 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)Cc2ccco2)C1 ZINC000235160962 632392180 /nfs/dbraw/zinc/39/21/80/632392180.db2.gz MZDCWPNYKSYEAK-QEJZJMRPSA-N 1 0 247.382 3.793 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000235164789 635570236 /nfs/dbraw/zinc/57/02/36/635570236.db2.gz QCYFRJADUVSNED-WUHRBBMRSA-N 1 0 241.444 3.685 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000235168441 388366434 /nfs/dbraw/zinc/36/64/34/388366434.db2.gz JFCPZMLXKSHYSB-ZMLRMANQSA-N 1 0 249.320 3.909 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235169674 388366656 /nfs/dbraw/zinc/36/66/56/388366656.db2.gz OXTPFJNLRVQMPB-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000235169703 388366826 /nfs/dbraw/zinc/36/68/26/388366826.db2.gz OXTPFJNLRVQMPB-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000235173151 259671527 /nfs/dbraw/zinc/67/15/27/259671527.db2.gz JFCPZMLXKSHYSB-DLOVCJGASA-N 1 0 249.320 3.909 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235177606 388366803 /nfs/dbraw/zinc/36/68/03/388366803.db2.gz OXTPFJNLRVQMPB-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000235177636 388366337 /nfs/dbraw/zinc/36/63/37/388366337.db2.gz OXTPFJNLRVQMPB-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C(C)(C)C ZINC000235193918 487932250 /nfs/dbraw/zinc/93/22/50/487932250.db2.gz NFZJBPCVOSFHOY-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1CCC1 ZINC000235194106 537884703 /nfs/dbraw/zinc/88/47/03/537884703.db2.gz RRQBEKDUWAOSMK-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000235195113 259671502 /nfs/dbraw/zinc/67/15/02/259671502.db2.gz HMAFJEWWVQAUAM-LBPRGKRZSA-N 1 0 237.774 3.827 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000235204741 342997709 /nfs/dbraw/zinc/99/77/09/342997709.db2.gz ILJVJKPEYQFOPZ-ABAIWWIYSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCC1 ZINC000235204945 537933649 /nfs/dbraw/zinc/93/36/49/537933649.db2.gz SDIMDTABNNKRLO-BZNIZROVSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000235206355 342997640 /nfs/dbraw/zinc/99/76/40/342997640.db2.gz ILJVJKPEYQFOPZ-IAQYHMDHSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CCC1 ZINC000235206481 566367182 /nfs/dbraw/zinc/36/71/82/566367182.db2.gz SDIMDTABNNKRLO-BDJLRTHQSA-N 1 0 245.366 3.548 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000235206928 388366425 /nfs/dbraw/zinc/36/64/25/388366425.db2.gz IYDSWWJCPRSDRR-YIOUJQMASA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000235214350 259330676 /nfs/dbraw/zinc/33/06/76/259330676.db2.gz PNMYODZYWNTGEO-CYBMUJFWSA-N 1 0 203.329 3.612 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000235216886 388366461 /nfs/dbraw/zinc/36/64/61/388366461.db2.gz IYDSWWJCPRSDRR-GNRIBBGQSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000235233016 388366642 /nfs/dbraw/zinc/36/66/42/388366642.db2.gz HPTXQDXMFVWVPP-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000235263592 537886207 /nfs/dbraw/zinc/88/62/07/537886207.db2.gz LPTPQPBGSIRNME-MLGOLLRUSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235265481 134590153 /nfs/dbraw/zinc/59/01/53/134590153.db2.gz CVTCXONCNSBAPE-HFBAOOFYSA-N 1 0 245.366 3.548 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000235268519 632599445 /nfs/dbraw/zinc/59/94/45/632599445.db2.gz DMXDRXBANGHULE-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000235268818 583209672 /nfs/dbraw/zinc/20/96/72/583209672.db2.gz LPTPQPBGSIRNME-WBMJQRKESA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235270289 357859480 /nfs/dbraw/zinc/85/94/80/357859480.db2.gz CVTCXONCNSBAPE-XFBWCDHKSA-N 1 0 245.366 3.548 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC000235283811 388367659 /nfs/dbraw/zinc/36/76/59/388367659.db2.gz ZHDOHYQZNZBJRW-ONGXEEELSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000235284043 388367069 /nfs/dbraw/zinc/36/70/69/388367069.db2.gz VSBXWEHYJUIDJO-JQWIXIFHSA-N 1 0 249.320 3.911 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000235286662 388367503 /nfs/dbraw/zinc/36/75/03/388367503.db2.gz CMVTXIMDCTZNMQ-MFKMUULPSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000235288364 388367469 /nfs/dbraw/zinc/36/74/69/388367469.db2.gz LSKQKYYYJXASKB-WBMJQRKESA-N 1 0 243.394 3.568 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000235290761 388367454 /nfs/dbraw/zinc/36/74/54/388367454.db2.gz QSHWLUYTKCJNCV-YPMHNXCESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000235290863 259343382 /nfs/dbraw/zinc/34/33/82/259343382.db2.gz WXSYVIRVLPPXHB-YPMHNXCESA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000235291799 388367768 /nfs/dbraw/zinc/36/77/68/388367768.db2.gz GSSWOUFSBYSSTG-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000235295512 388367073 /nfs/dbraw/zinc/36/70/73/388367073.db2.gz ZDNLHMZYBMHDEC-YPMHNXCESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000235295671 388367266 /nfs/dbraw/zinc/36/72/66/388367266.db2.gz WETAGPHRBZPDPT-YPMHNXCESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000235296880 388367800 /nfs/dbraw/zinc/36/78/00/388367800.db2.gz CMVTXIMDCTZNMQ-ZWNOBZJWSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000235296989 388367501 /nfs/dbraw/zinc/36/75/01/388367501.db2.gz JAANBHMLWKYABI-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000235297896 388367588 /nfs/dbraw/zinc/36/75/88/388367588.db2.gz LSKQKYYYJXASKB-MLGOLLRUSA-N 1 0 243.394 3.568 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000235298171 388367203 /nfs/dbraw/zinc/36/72/03/388367203.db2.gz IHITZKYJCMDBSY-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCSCC1 ZINC000235299562 388367449 /nfs/dbraw/zinc/36/74/49/388367449.db2.gz QSHWLUYTKCJNCV-DGCLKSJQSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000235299636 388367585 /nfs/dbraw/zinc/36/75/85/388367585.db2.gz WXSYVIRVLPPXHB-DGCLKSJQSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000235300291 259672226 /nfs/dbraw/zinc/67/22/26/259672226.db2.gz GSSWOUFSBYSSTG-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000235301096 388367499 /nfs/dbraw/zinc/36/74/99/388367499.db2.gz LDLFRLCYJKLWHR-PWSUYJOCSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccsc1 ZINC000235301474 134591835 /nfs/dbraw/zinc/59/18/35/134591835.db2.gz RAZWOJQTGXAZNL-PWSUYJOCSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cccs1 ZINC000235303364 388367840 /nfs/dbraw/zinc/36/78/40/388367840.db2.gz ZDNLHMZYBMHDEC-DGCLKSJQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccsc1 ZINC000235303472 388367184 /nfs/dbraw/zinc/36/71/84/388367184.db2.gz WETAGPHRBZPDPT-DGCLKSJQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000235304373 259672342 /nfs/dbraw/zinc/67/23/42/259672342.db2.gz JAANBHMLWKYABI-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000235305218 388367478 /nfs/dbraw/zinc/36/74/78/388367478.db2.gz IHITZKYJCMDBSY-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccs1 ZINC000235307068 388367234 /nfs/dbraw/zinc/36/72/34/388367234.db2.gz LDLFRLCYJKLWHR-ZYHUDNBSSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccsc1 ZINC000235307298 363440846 /nfs/dbraw/zinc/44/08/46/363440846.db2.gz RAZWOJQTGXAZNL-ZYHUDNBSSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000235311924 259331443 /nfs/dbraw/zinc/33/14/43/259331443.db2.gz HPTXQDXMFVWVPP-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCC[C@@H](C)CC2)s1 ZINC000235317904 357865155 /nfs/dbraw/zinc/86/51/55/357865155.db2.gz UKQWPKAUAUTBJM-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)s1 ZINC000235325508 357865894 /nfs/dbraw/zinc/86/58/94/357865894.db2.gz UKQWPKAUAUTBJM-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000235341465 357865622 /nfs/dbraw/zinc/86/56/22/357865622.db2.gz FZUAKGYGJQRWRJ-DGCLKSJQSA-N 1 0 218.344 3.628 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000235369780 343011223 /nfs/dbraw/zinc/01/12/23/343011223.db2.gz OZPLDVWOUXKUNA-AAEUAGOBSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(C)CCC2)C1 ZINC000235370090 343011255 /nfs/dbraw/zinc/01/12/55/343011255.db2.gz QGQCNGGVMSWMPU-AAEUAGOBSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000235370224 632679153 /nfs/dbraw/zinc/67/91/53/632679153.db2.gz AUDKXVUBYNBKJX-MLGOLLRUSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000235371269 357868472 /nfs/dbraw/zinc/86/84/72/357868472.db2.gz PPKWJWADAVBJQW-AXAPSJFSSA-N 1 0 245.366 3.548 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C2CCCC2)C1 ZINC000235371344 388368378 /nfs/dbraw/zinc/36/83/78/388368378.db2.gz ILGVHTAXSWOBGH-AAEUAGOBSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCc2cccs2)C1 ZINC000235378093 259672873 /nfs/dbraw/zinc/67/28/73/259672873.db2.gz WDJHSQPVKCMWIM-JSGCOSHPSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000235378221 388368056 /nfs/dbraw/zinc/36/80/56/388368056.db2.gz UQBPLRFRYWAKSY-WFASDCNBSA-N 1 0 249.423 3.873 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CCO1 ZINC000235379002 343011376 /nfs/dbraw/zinc/01/13/76/343011376.db2.gz LMFPBZLQLMAHPV-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000235382460 343011653 /nfs/dbraw/zinc/01/16/53/343011653.db2.gz OZPLDVWOUXKUNA-WCQYABFASA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(C)CCC2)C1 ZINC000235382653 343011751 /nfs/dbraw/zinc/01/17/51/343011751.db2.gz QGQCNGGVMSWMPU-WCQYABFASA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000235383284 487947699 /nfs/dbraw/zinc/94/76/99/487947699.db2.gz KCIUQMCTJSFEKW-BBRMVZONSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CCCC2)C1 ZINC000235383485 388368529 /nfs/dbraw/zinc/36/85/29/388368529.db2.gz ILGVHTAXSWOBGH-WCQYABFASA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccs2)C1 ZINC000235383938 388368731 /nfs/dbraw/zinc/36/87/31/388368731.db2.gz FCBOKJKTLPXIDY-AAEUAGOBSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000235384461 386162920 /nfs/dbraw/zinc/16/29/20/386162920.db2.gz TVWMPYILWWQBCJ-FZMZJTMJSA-N 1 0 235.396 3.830 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000235386285 642466263 /nfs/dbraw/zinc/46/62/63/642466263.db2.gz AUDKXVUBYNBKJX-WBMJQRKESA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000235387301 357860228 /nfs/dbraw/zinc/86/02/28/357860228.db2.gz PPKWJWADAVBJQW-PVXIVEMSSA-N 1 0 245.366 3.548 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000235387890 357859800 /nfs/dbraw/zinc/85/98/00/357859800.db2.gz UKUMENGWBIDDAW-QEJZJMRPSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000235387911 388368844 /nfs/dbraw/zinc/36/88/44/388368844.db2.gz WDJHSQPVKCMWIM-GXTWGEPZSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000235387936 357860435 /nfs/dbraw/zinc/86/04/35/357860435.db2.gz DBQVMXKRLCADFM-QEJZJMRPSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000235388010 388368072 /nfs/dbraw/zinc/36/80/72/388368072.db2.gz UQBPLRFRYWAKSY-SWLSCSKDSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC000235389077 388368363 /nfs/dbraw/zinc/36/83/63/388368363.db2.gz ZHDOHYQZNZBJRW-GXSJLCMTSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000235389252 322963910 /nfs/dbraw/zinc/96/39/10/322963910.db2.gz VSBXWEHYJUIDJO-CMPLNLGQSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000235391546 357860060 /nfs/dbraw/zinc/86/00/60/357860060.db2.gz UKUMENGWBIDDAW-CFVMTHIKSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000235391585 357860179 /nfs/dbraw/zinc/86/01/79/357860179.db2.gz DBQVMXKRLCADFM-CFVMTHIKSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC=CCC2)C1 ZINC000235391804 388368573 /nfs/dbraw/zinc/36/85/73/388368573.db2.gz CPJAZXRPVOVSRM-AEGPPILISA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000235391877 487948982 /nfs/dbraw/zinc/94/89/82/487948982.db2.gz KCIUQMCTJSFEKW-XJKSGUPXSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000235392822 259672882 /nfs/dbraw/zinc/67/28/82/259672882.db2.gz FCBOKJKTLPXIDY-WCQYABFASA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000235393211 259672844 /nfs/dbraw/zinc/67/28/44/259672844.db2.gz TVWMPYILWWQBCJ-SMDDNHRTSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000235395603 357859919 /nfs/dbraw/zinc/85/99/19/357859919.db2.gz UKUMENGWBIDDAW-AEGPPILISA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000235395626 357860071 /nfs/dbraw/zinc/86/00/71/357860071.db2.gz DBQVMXKRLCADFM-AEGPPILISA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000235398238 357861184 /nfs/dbraw/zinc/86/11/84/357861184.db2.gz UKUMENGWBIDDAW-NWANDNLSSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000235398270 357860935 /nfs/dbraw/zinc/86/09/35/357860935.db2.gz DBQVMXKRLCADFM-NWANDNLSSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC=CCC2)C1 ZINC000235398486 388368668 /nfs/dbraw/zinc/36/86/68/388368668.db2.gz CPJAZXRPVOVSRM-NWANDNLSSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000235414180 388368807 /nfs/dbraw/zinc/36/88/07/388368807.db2.gz XXUJISQPBVHEHP-WCQYABFASA-N 1 0 233.399 3.757 20 0 BHADRO C[C@H](CC[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000235419880 388368736 /nfs/dbraw/zinc/36/87/36/388368736.db2.gz BREFLRYLXFSHDC-CQSZACIVSA-N 1 0 231.383 3.960 20 0 BHADRO CC(C)=CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000235420557 388368336 /nfs/dbraw/zinc/36/83/36/388368336.db2.gz JBIFEXNGIKRUIO-CQSZACIVSA-N 1 0 217.356 3.736 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000235423007 388368438 /nfs/dbraw/zinc/36/84/38/388368438.db2.gz HGQASAHLTKGWKR-SNVBAGLBSA-N 1 0 223.282 3.663 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CCO1 ZINC000235434968 343035554 /nfs/dbraw/zinc/03/55/54/343035554.db2.gz LMFPBZLQLMAHPV-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235437931 388369615 /nfs/dbraw/zinc/36/96/15/388369615.db2.gz WBOSYGXBXIWTCR-DMDPSCGWSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235438236 357869108 /nfs/dbraw/zinc/86/91/08/357869108.db2.gz IJHIDOGYRIAYDG-BDJLRTHQSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235439831 388369610 /nfs/dbraw/zinc/36/96/10/388369610.db2.gz WBOSYGXBXIWTCR-LOWVWBTDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235440116 357869357 /nfs/dbraw/zinc/86/93/57/357869357.db2.gz IJHIDOGYRIAYDG-BZNIZROVSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000235444607 388369115 /nfs/dbraw/zinc/36/91/15/388369115.db2.gz DPXYSVQNWYNHML-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000235455076 259673641 /nfs/dbraw/zinc/67/36/41/259673641.db2.gz GBPQKBXZNJXJTD-OAHLLOKOSA-N 1 0 231.383 3.872 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000235466008 388369672 /nfs/dbraw/zinc/36/96/72/388369672.db2.gz HMAFJEWWVQAUAM-GFCCVEGCSA-N 1 0 237.774 3.827 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235473167 632760513 /nfs/dbraw/zinc/76/05/13/632760513.db2.gz HJFWKIVNCOSQNT-OUCADQQQSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235474807 632762767 /nfs/dbraw/zinc/76/27/67/632762767.db2.gz HJFWKIVNCOSQNT-SCRDCRAPSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2cnccc2c1)C1CCC1 ZINC000235501386 537896512 /nfs/dbraw/zinc/89/65/12/537896512.db2.gz RRQBEKDUWAOSMK-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CCC1 ZINC000235517120 537895385 /nfs/dbraw/zinc/89/53/85/537895385.db2.gz SDIMDTABNNKRLO-MEDUHNTESA-N 1 0 245.366 3.548 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc1 ZINC000235522307 537895233 /nfs/dbraw/zinc/89/52/33/537895233.db2.gz YQVISLXVENNCMI-OBJOEFQTSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000235522397 537895115 /nfs/dbraw/zinc/89/51/15/537895115.db2.gz RWUBGOXNIWLFLU-OBJOEFQTSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc1 ZINC000235531724 537895980 /nfs/dbraw/zinc/89/59/80/537895980.db2.gz YQVISLXVENNCMI-SGMGOOAPSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000235531814 537897108 /nfs/dbraw/zinc/89/71/08/537897108.db2.gz RWUBGOXNIWLFLU-SGMGOOAPSA-N 1 0 235.396 3.540 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000235536232 388371936 /nfs/dbraw/zinc/37/19/36/388371936.db2.gz ZDNLHMZYBMHDEC-AAEUAGOBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000235536268 388372424 /nfs/dbraw/zinc/37/24/24/388372424.db2.gz WETAGPHRBZPDPT-AAEUAGOBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000235538400 388371545 /nfs/dbraw/zinc/37/15/45/388371545.db2.gz LDLFRLCYJKLWHR-JQWIXIFHSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccsc1 ZINC000235538534 363446299 /nfs/dbraw/zinc/44/62/99/363446299.db2.gz RAZWOJQTGXAZNL-JQWIXIFHSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cccc(O)c1 ZINC000235540187 259674376 /nfs/dbraw/zinc/67/43/76/259674376.db2.gz VTTVYQABCQMHEP-HUBLWGQQSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCC1 ZINC000235542298 537934775 /nfs/dbraw/zinc/93/47/75/537934775.db2.gz SDIMDTABNNKRLO-ZBEGNZNMSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cccc(O)c1 ZINC000235542880 388372108 /nfs/dbraw/zinc/37/21/08/388372108.db2.gz VTTVYQABCQMHEP-ZOWXZIJZSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000235560016 537935481 /nfs/dbraw/zinc/93/54/81/537935481.db2.gz LPTPQPBGSIRNME-LRDDRELGSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000235573908 259343959 /nfs/dbraw/zinc/34/39/59/259343959.db2.gz CMVTXIMDCTZNMQ-GXFFZTMASA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000235574455 259674441 /nfs/dbraw/zinc/67/44/41/259674441.db2.gz LSKQKYYYJXASKB-BLLLJJGKSA-N 1 0 243.394 3.568 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCSCC1 ZINC000235575165 388371943 /nfs/dbraw/zinc/37/19/43/388371943.db2.gz QSHWLUYTKCJNCV-WCQYABFASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000235575189 259674423 /nfs/dbraw/zinc/67/44/23/259674423.db2.gz WXSYVIRVLPPXHB-WCQYABFASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000235575511 388372096 /nfs/dbraw/zinc/37/20/96/388372096.db2.gz GSSWOUFSBYSSTG-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000235575880 541391192 /nfs/dbraw/zinc/39/11/92/541391192.db2.gz LPTPQPBGSIRNME-BLLLJJGKSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cccs1 ZINC000235576785 259674504 /nfs/dbraw/zinc/67/45/04/259674504.db2.gz ZDNLHMZYBMHDEC-WCQYABFASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccsc1 ZINC000235576826 259674422 /nfs/dbraw/zinc/67/44/22/259674422.db2.gz WETAGPHRBZPDPT-WCQYABFASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccs1 ZINC000235579639 259674419 /nfs/dbraw/zinc/67/44/19/259674419.db2.gz LDLFRLCYJKLWHR-CMPLNLGQSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccsc1 ZINC000235579748 363448363 /nfs/dbraw/zinc/44/83/63/363448363.db2.gz RAZWOJQTGXAZNL-CMPLNLGQSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cccc(O)c1 ZINC000235581163 388372350 /nfs/dbraw/zinc/37/23/50/388372350.db2.gz VTTVYQABCQMHEP-SLEUVZQESA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cccc(O)c1 ZINC000235584035 259674352 /nfs/dbraw/zinc/67/43/52/259674352.db2.gz VTTVYQABCQMHEP-YWPYICTPSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000235586100 259674432 /nfs/dbraw/zinc/67/44/32/259674432.db2.gz CMVTXIMDCTZNMQ-GWCFXTLKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000235586758 388371538 /nfs/dbraw/zinc/37/15/38/388371538.db2.gz LSKQKYYYJXASKB-LRDDRELGSA-N 1 0 243.394 3.568 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000235588030 259674487 /nfs/dbraw/zinc/67/44/87/259674487.db2.gz QSHWLUYTKCJNCV-AAEUAGOBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000235588096 388371941 /nfs/dbraw/zinc/37/19/41/388371941.db2.gz WXSYVIRVLPPXHB-AAEUAGOBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000235588568 388371760 /nfs/dbraw/zinc/37/17/60/388371760.db2.gz GSSWOUFSBYSSTG-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@H](C)CC2)s1 ZINC000235613626 357925417 /nfs/dbraw/zinc/92/54/17/357925417.db2.gz UKQWPKAUAUTBJM-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCC[C@H](C)CC2)s1 ZINC000235624949 357925708 /nfs/dbraw/zinc/92/57/08/357925708.db2.gz UKQWPKAUAUTBJM-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cc(NC[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000235636375 357926184 /nfs/dbraw/zinc/92/61/84/357926184.db2.gz FZUAKGYGJQRWRJ-WCQYABFASA-N 1 0 218.344 3.628 20 0 BHADRO Cc1cc(NC[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000235655414 357927304 /nfs/dbraw/zinc/92/73/04/357927304.db2.gz FZUAKGYGJQRWRJ-AAEUAGOBSA-N 1 0 218.344 3.628 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000235662958 343054971 /nfs/dbraw/zinc/05/49/71/343054971.db2.gz OZPLDVWOUXKUNA-YPMHNXCESA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(C)CCC2)C1 ZINC000235663175 343055255 /nfs/dbraw/zinc/05/52/55/343055255.db2.gz QGQCNGGVMSWMPU-YPMHNXCESA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2CCCC2)C1 ZINC000235663715 388374308 /nfs/dbraw/zinc/37/43/08/388374308.db2.gz ILGVHTAXSWOBGH-YPMHNXCESA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCc2cccs2)C1 ZINC000235667159 388374380 /nfs/dbraw/zinc/37/43/80/388374380.db2.gz WDJHSQPVKCMWIM-OCCSQVGLSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000235667212 388374805 /nfs/dbraw/zinc/37/48/05/388374805.db2.gz UQBPLRFRYWAKSY-DOMZBBRYSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000235670392 488001668 /nfs/dbraw/zinc/00/16/68/488001668.db2.gz KCIUQMCTJSFEKW-CJNGLKHVSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccs2)C1 ZINC000235670833 388374155 /nfs/dbraw/zinc/37/41/55/388374155.db2.gz FCBOKJKTLPXIDY-YPMHNXCESA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000235671087 388374235 /nfs/dbraw/zinc/37/42/35/388374235.db2.gz TVWMPYILWWQBCJ-RISCZKNCSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC000235672817 386182755 /nfs/dbraw/zinc/18/27/55/386182755.db2.gz ZHDOHYQZNZBJRW-MWLCHTKSSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000235672975 259674638 /nfs/dbraw/zinc/67/46/38/259674638.db2.gz VSBXWEHYJUIDJO-ZYHUDNBSSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000235673391 537901989 /nfs/dbraw/zinc/90/19/89/537901989.db2.gz UKUMENGWBIDDAW-SNPRPXQTSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000235673420 259674607 /nfs/dbraw/zinc/67/46/07/259674607.db2.gz DBQVMXKRLCADFM-SNPRPXQTSA-N 1 0 244.382 3.725 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000235683183 632813020 /nfs/dbraw/zinc/81/30/20/632813020.db2.gz AUDKXVUBYNBKJX-BLLLJJGKSA-N 1 0 240.350 3.513 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000235697414 388374727 /nfs/dbraw/zinc/37/47/27/388374727.db2.gz XXUJISQPBVHEHP-YPMHNXCESA-N 1 0 233.399 3.757 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C)(C)C2CC2)C1 ZINC000235699765 343055387 /nfs/dbraw/zinc/05/53/87/343055387.db2.gz OZPLDVWOUXKUNA-DGCLKSJQSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(C)CCC2)C1 ZINC000235699874 343055292 /nfs/dbraw/zinc/05/52/92/343055292.db2.gz QGQCNGGVMSWMPU-DGCLKSJQSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CCCC2)C1 ZINC000235700219 259674805 /nfs/dbraw/zinc/67/48/05/259674805.db2.gz ILGVHTAXSWOBGH-DGCLKSJQSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC000235700793 259675021 /nfs/dbraw/zinc/67/50/21/259675021.db2.gz ZHDOHYQZNZBJRW-KOLCDFICSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000235700850 388374560 /nfs/dbraw/zinc/37/45/60/388374560.db2.gz VSBXWEHYJUIDJO-PWSUYJOCSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000235702238 259674820 /nfs/dbraw/zinc/67/48/20/259674820.db2.gz WDJHSQPVKCMWIM-TZMCWYRMSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000235702281 259675087 /nfs/dbraw/zinc/67/50/87/259675087.db2.gz UQBPLRFRYWAKSY-IUODEOHRSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000235704571 488008659 /nfs/dbraw/zinc/00/86/59/488008659.db2.gz KCIUQMCTJSFEKW-CZUORRHYSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000235705030 259674631 /nfs/dbraw/zinc/67/46/31/259674631.db2.gz FCBOKJKTLPXIDY-DGCLKSJQSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000235705315 388374073 /nfs/dbraw/zinc/37/40/73/388374073.db2.gz TVWMPYILWWQBCJ-BXUZGUMPSA-N 1 0 235.396 3.830 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000235706327 711524816 /nfs/dbraw/zinc/52/48/16/711524816.db2.gz AUDKXVUBYNBKJX-LRDDRELGSA-N 1 0 240.350 3.513 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000235707954 537903906 /nfs/dbraw/zinc/90/39/06/537903906.db2.gz UKUMENGWBIDDAW-VHDGCEQUSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000235707994 388374617 /nfs/dbraw/zinc/37/46/17/388374617.db2.gz DBQVMXKRLCADFM-VHDGCEQUSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000235744175 388375493 /nfs/dbraw/zinc/37/54/93/388375493.db2.gz XXUJISQPBVHEHP-DGCLKSJQSA-N 1 0 233.399 3.757 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C)c(Cl)c1 ZINC000235768799 343058857 /nfs/dbraw/zinc/05/88/57/343058857.db2.gz XDLUKKZYWYVMPA-UHFFFAOYSA-N 1 0 211.736 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=CCC2)cc1Cl ZINC000235853189 262918839 /nfs/dbraw/zinc/91/88/39/262918839.db2.gz JNRPLGMPMLWDHL-ZDUSSCGKSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C2CC2)cc1Cl ZINC000235856469 343064531 /nfs/dbraw/zinc/06/45/31/343064531.db2.gz OJZMHQVCZMUVLE-UHFFFAOYSA-N 1 0 237.774 3.927 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCC2)cc1Cl ZINC000235857040 398117640 /nfs/dbraw/zinc/11/76/40/398117640.db2.gz CQKKEIOFEUTBRM-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1Cl ZINC000235859040 388376189 /nfs/dbraw/zinc/37/61/89/388376189.db2.gz JNRPLGMPMLWDHL-CYBMUJFWSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CC2)cc1Cl ZINC000235861963 134815660 /nfs/dbraw/zinc/81/56/60/134815660.db2.gz XDEFPZQKEOIPNU-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC2)cc1Cl ZINC000235864440 388376361 /nfs/dbraw/zinc/37/63/61/388376361.db2.gz RZHYNXALGWINPC-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CC2)cc1Cl ZINC000235865436 537905311 /nfs/dbraw/zinc/90/53/11/537905311.db2.gz QGXWSHNRFGFAOS-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccco2)cc1Cl ZINC000235871802 388376182 /nfs/dbraw/zinc/37/61/82/388376182.db2.gz DWNUJCHRBWDBSG-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1cc(NCCCC2CCCC2)cc[nH+]1 ZINC000235874908 134815497 /nfs/dbraw/zinc/81/54/97/134815497.db2.gz NYQHQSNIPZVAIC-UHFFFAOYSA-N 1 0 218.344 3.772 20 0 BHADRO Cc1ccc(NCc2ccc(C)c(Cl)c2)cn1 ZINC000235876487 387864544 /nfs/dbraw/zinc/86/45/44/387864544.db2.gz VHCKSSIUWWOSON-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO Cc1ncn(Cc2ccc(C)cc2Cl)c1C ZINC000235882214 387863988 /nfs/dbraw/zinc/86/39/88/387863988.db2.gz SFGWNDXCSXQCMB-UHFFFAOYSA-N 1 0 234.730 3.510 20 0 BHADRO Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1Cl ZINC000236004185 388377698 /nfs/dbraw/zinc/37/76/98/388377698.db2.gz SEKLJVZHIOAALQ-UHFFFAOYSA-N 1 0 249.785 3.927 20 0 BHADRO c1ccc(CC2(C[NH2+]C3CCCC3)CCC2)cc1 ZINC000236573551 635601370 /nfs/dbraw/zinc/60/13/70/635601370.db2.gz HLWZUBUNNUHTJC-UHFFFAOYSA-N 1 0 243.394 3.932 20 0 BHADRO c1ccc(C2(C[NH2+]C3CCCC3)CCC2)cc1 ZINC000236573624 632997152 /nfs/dbraw/zinc/99/71/52/632997152.db2.gz UHGVXAROVXJRGT-UHFFFAOYSA-N 1 0 229.367 3.641 20 0 BHADRO CC(C)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000236584111 346254125 /nfs/dbraw/zinc/25/41/25/346254125.db2.gz OZSDZHDIUZWPMF-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000236584956 346252726 /nfs/dbraw/zinc/25/27/26/346252726.db2.gz OZSDZHDIUZWPMF-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]C1CCCCC1)CCC2 ZINC000236586578 387897230 /nfs/dbraw/zinc/89/72/30/387897230.db2.gz XQBITJLMBKZJIZ-MRXNPFEDSA-N 1 0 245.366 3.692 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]CC1CCCC1)CCC2 ZINC000236587217 134830262 /nfs/dbraw/zinc/83/02/62/134830262.db2.gz GCZIVJLFZYDFQV-MRXNPFEDSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]CCC1CCC1)CCC2 ZINC000236587462 711682444 /nfs/dbraw/zinc/68/24/44/711682444.db2.gz SLWFTCHKWRLFQP-MRXNPFEDSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]CCCC1CC1)CCC2 ZINC000236587592 343101824 /nfs/dbraw/zinc/10/18/24/343101824.db2.gz QFCGRFGRPSFVCN-MRXNPFEDSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]C1CCCCC1)CCC2 ZINC000236595291 134830513 /nfs/dbraw/zinc/83/05/13/134830513.db2.gz XQBITJLMBKZJIZ-INIZCTEOSA-N 1 0 245.366 3.692 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]CC1CCCC1)CCC2 ZINC000236595775 387897262 /nfs/dbraw/zinc/89/72/62/387897262.db2.gz GCZIVJLFZYDFQV-INIZCTEOSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]CCC1CCC1)CCC2 ZINC000236595988 633092051 /nfs/dbraw/zinc/09/20/51/633092051.db2.gz SLWFTCHKWRLFQP-INIZCTEOSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]CCCC1CC1)CCC2 ZINC000236596091 384868674 /nfs/dbraw/zinc/86/86/74/384868674.db2.gz QFCGRFGRPSFVCN-INIZCTEOSA-N 1 0 245.366 3.549 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000236605520 346257953 /nfs/dbraw/zinc/25/79/53/346257953.db2.gz SDMGDWDYYZTNRE-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000236606411 346258723 /nfs/dbraw/zinc/25/87/23/346258723.db2.gz SDMGDWDYYZTNRE-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000236607633 325321082 /nfs/dbraw/zinc/32/10/82/325321082.db2.gz UEFKHNFIFGOQGG-OAHLLOKOSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000236607662 325321009 /nfs/dbraw/zinc/32/10/09/325321009.db2.gz UEFKHNFIFGOQGG-HNNXBMFYSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)(C)CC[NH2+]CC1(c2ccccc2)CC1 ZINC000236608639 259677372 /nfs/dbraw/zinc/67/73/72/259677372.db2.gz USIAYWVRSLDRTE-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO c1ccc(C2(C[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000236611086 325320927 /nfs/dbraw/zinc/32/09/27/325320927.db2.gz VNNFYZDDBJFNCP-HNNXBMFYSA-N 1 0 241.378 3.664 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000236613280 325320980 /nfs/dbraw/zinc/32/09/80/325320980.db2.gz XTUPZENEAUUNOT-GJZGRUSLSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000236613404 346261180 /nfs/dbraw/zinc/26/11/80/346261180.db2.gz OWOCAQCNBBXUGE-HOCLYGCPSA-N 1 0 246.398 3.776 20 0 BHADRO c1ccc(C2(C[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000236614904 325320875 /nfs/dbraw/zinc/32/08/75/325320875.db2.gz VNNFYZDDBJFNCP-OAHLLOKOSA-N 1 0 241.378 3.664 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000236614916 325320819 /nfs/dbraw/zinc/32/08/19/325320819.db2.gz XTUPZENEAUUNOT-LSDHHAIUSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000236615000 346259734 /nfs/dbraw/zinc/25/97/34/346259734.db2.gz OWOCAQCNBBXUGE-GOEBONIOSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000236616471 346262562 /nfs/dbraw/zinc/26/25/62/346262562.db2.gz PBBXRHHBJRSCSF-UHFFFAOYSA-N 1 0 237.362 3.739 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000236616508 346262469 /nfs/dbraw/zinc/26/24/69/346262469.db2.gz MBTYRANTJVNXNO-UHFFFAOYSA-N 1 0 237.362 3.739 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)c1ccccc1F ZINC000236616552 350739530 /nfs/dbraw/zinc/73/95/30/350739530.db2.gz JROGSVYVVFMMQO-UHFFFAOYSA-N 1 0 237.362 3.739 20 0 BHADRO CC(C)(C)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000236616837 346260793 /nfs/dbraw/zinc/26/07/93/346260793.db2.gz FHXPHSHMDPBCHP-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CC(C)(C)C[NH2+]CC1(c2ccccc2)CCC1 ZINC000236617081 346260787 /nfs/dbraw/zinc/26/07/87/346260787.db2.gz IACLOUJHYGVQFU-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO CC(C)(C)C[NH2+]CCCCOCc1ccccc1 ZINC000236617811 344309759 /nfs/dbraw/zinc/30/97/59/344309759.db2.gz BKVNULPSTOBWGL-UHFFFAOYSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccccc1OC1CCC1 ZINC000236621622 350740152 /nfs/dbraw/zinc/74/01/52/350740152.db2.gz WBYUYANPBMNBKS-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000236621700 346263749 /nfs/dbraw/zinc/26/37/49/346263749.db2.gz PGGNZDXWJLAFCV-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000236626848 325321438 /nfs/dbraw/zinc/32/14/38/325321438.db2.gz XTUPZENEAUUNOT-CABCVRRESA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000236626942 350739919 /nfs/dbraw/zinc/73/99/19/350739919.db2.gz OWOCAQCNBBXUGE-ZBFHGGJFSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000236628298 325322124 /nfs/dbraw/zinc/32/21/24/325322124.db2.gz XTUPZENEAUUNOT-HUUCEWRRSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000236628390 350740103 /nfs/dbraw/zinc/74/01/03/350740103.db2.gz OWOCAQCNBBXUGE-GDBMZVCRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]CC(C)(C)C ZINC000236634843 388381549 /nfs/dbraw/zinc/38/15/49/388381549.db2.gz GJGYAQKOMDSUHW-UHFFFAOYSA-N 1 0 236.403 3.670 20 0 BHADRO CCC1(C[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000236638605 325322489 /nfs/dbraw/zinc/32/24/89/325322489.db2.gz HOIWXABCAODUCM-SDNWHVSQSA-N 1 0 229.367 3.870 20 0 BHADRO CCC1([NH2+]Cc2cc(C)c(OC)c(C)c2)CCC1 ZINC000236640042 635606316 /nfs/dbraw/zinc/60/63/16/635606316.db2.gz WVFPWTGJGIKHPQ-UHFFFAOYSA-N 1 0 247.382 3.734 20 0 BHADRO CCC(CC)C[NH2+]Cc1nccc2ccccc21 ZINC000236642094 633226151 /nfs/dbraw/zinc/22/61/51/633226151.db2.gz SIPITRWTFNBLGS-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)CCn1cccc1C[NH2+][C@H]1CC=CCC1 ZINC000236643007 350740173 /nfs/dbraw/zinc/74/01/73/350740173.db2.gz IUYKUUCLBVQPEF-HNNXBMFYSA-N 1 0 246.398 3.733 20 0 BHADRO CC(C)CCn1cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000236643302 346279094 /nfs/dbraw/zinc/27/90/94/346279094.db2.gz IUYKUUCLBVQPEF-OAHLLOKOSA-N 1 0 246.398 3.733 20 0 BHADRO CC(C)c1ccc(CC[NH2+]Cc2ccco2)cc1 ZINC000236644514 388381207 /nfs/dbraw/zinc/38/12/07/388381207.db2.gz RCEMAMMCHANYDZ-UHFFFAOYSA-N 1 0 243.350 3.735 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H](C)C2CC2)cc1 ZINC000236644706 325322624 /nfs/dbraw/zinc/32/26/24/325322624.db2.gz BTDMPVYGIXSBOT-ZDUSSCGKSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H](C)C2CC2)cc1 ZINC000236645120 325322299 /nfs/dbraw/zinc/32/22/99/325322299.db2.gz BTDMPVYGIXSBOT-CYBMUJFWSA-N 1 0 231.383 3.741 20 0 BHADRO CCC1([NH2+]Cc2cc3cc(F)ccc3o2)CCC1 ZINC000236655629 387899097 /nfs/dbraw/zinc/89/90/97/387899097.db2.gz RINFAGDIJWWZKY-UHFFFAOYSA-N 1 0 247.313 3.994 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@@H](C)C1CC1 ZINC000236656516 259677856 /nfs/dbraw/zinc/67/78/56/259677856.db2.gz BQQVSRBCOAMGOX-ZDUSSCGKSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@H](C)C1CC1 ZINC000236656641 388381467 /nfs/dbraw/zinc/38/14/67/388381467.db2.gz BQQVSRBCOAMGOX-CYBMUJFWSA-N 1 0 247.382 3.610 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC000236681123 633991243 /nfs/dbraw/zinc/99/12/43/633991243.db2.gz HONCYNQDWHRFGR-CYBMUJFWSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](C)COC)C(C)(C)C ZINC000236687559 634061720 /nfs/dbraw/zinc/06/17/20/634061720.db2.gz DZXMDTCRZHMTNI-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)COC)C(C)(C)C ZINC000236687638 634063078 /nfs/dbraw/zinc/06/30/78/634063078.db2.gz DZXMDTCRZHMTNI-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CC1CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000236687883 343105549 /nfs/dbraw/zinc/10/55/49/343105549.db2.gz UNWNTOFCFWAJRC-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)CC1)Oc1ccccc1 ZINC000236688508 343105616 /nfs/dbraw/zinc/10/56/16/343105616.db2.gz MJOMAEJICRLOLK-SHARSMKWSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)CC1)Oc1ccccc1 ZINC000236689048 343105685 /nfs/dbraw/zinc/10/56/85/343105685.db2.gz MJOMAEJICRLOLK-SLTAFYQDSA-N 1 0 247.382 3.622 20 0 BHADRO CC(C)([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000236692345 388382578 /nfs/dbraw/zinc/38/25/78/388382578.db2.gz KQVLNDYSLPDANT-UHFFFAOYSA-N 1 0 223.747 3.575 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH2+]CCC1CC1 ZINC000236695820 346292664 /nfs/dbraw/zinc/29/26/64/346292664.db2.gz KKQKKSFNFLJGDR-UHFFFAOYSA-N 1 0 241.334 3.836 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CC(C)(C)C ZINC000236696249 388382341 /nfs/dbraw/zinc/38/23/41/388382341.db2.gz MZVDTRUUOFPTRG-RAXLEYEMSA-N 1 0 217.356 3.726 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CC1(C)CCC1 ZINC000236696297 325324799 /nfs/dbraw/zinc/32/47/99/325324799.db2.gz KNKNRFADZAYNJL-KAMYIIQDSA-N 1 0 229.367 3.870 20 0 BHADRO c1ccc(CCCCC[NH2+]C2CCCC2)cc1 ZINC000236700615 634344084 /nfs/dbraw/zinc/34/40/84/634344084.db2.gz XODWIMFRQPOGDO-UHFFFAOYSA-N 1 0 231.383 3.932 20 0 BHADRO c1coc(C[NH2+]CCCCCc2ccccc2)c1 ZINC000236701119 388382219 /nfs/dbraw/zinc/38/22/19/388382219.db2.gz CWFSSNHUOLDNKJ-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000236702754 325325161 /nfs/dbraw/zinc/32/51/61/325325161.db2.gz AANVIALWYQJDTR-LRDDRELGSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC1 ZINC000236702790 325325377 /nfs/dbraw/zinc/32/53/77/325325377.db2.gz AANVIALWYQJDTR-WBMJQRKESA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000236713909 325326031 /nfs/dbraw/zinc/32/60/31/325326031.db2.gz AANVIALWYQJDTR-BLLLJJGKSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC1 ZINC000236713932 325326182 /nfs/dbraw/zinc/32/61/82/325326182.db2.gz AANVIALWYQJDTR-MLGOLLRUSA-N 1 0 249.373 3.781 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000236714696 388382447 /nfs/dbraw/zinc/38/24/47/388382447.db2.gz XGVPACLMTAYNJG-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000236714722 388382300 /nfs/dbraw/zinc/38/23/00/388382300.db2.gz XGVPACLMTAYNJG-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccnc1C ZINC000236715442 711717945 /nfs/dbraw/zinc/71/79/45/711717945.db2.gz HONCYNQDWHRFGR-ZDUSSCGKSA-N 1 0 234.387 3.839 20 0 BHADRO c1coc(C[NH2+]CCCSc2ccccc2)c1 ZINC000236717211 134834619 /nfs/dbraw/zinc/83/46/19/134834619.db2.gz CHYYRPMEWNDIJB-UHFFFAOYSA-N 1 0 247.363 3.552 20 0 BHADRO c1ccc(-c2cccc(C[NH2+]CC3CC3)c2)cc1 ZINC000236720903 397741470 /nfs/dbraw/zinc/74/14/70/397741470.db2.gz HYFZZRPZYLAHNB-UHFFFAOYSA-N 1 0 237.346 3.853 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000236722915 634497239 /nfs/dbraw/zinc/49/72/39/634497239.db2.gz KNTPBFXYWAGKIN-UHFFFAOYSA-N 1 0 223.335 3.697 20 0 BHADRO CC(C)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000236723129 388382512 /nfs/dbraw/zinc/38/25/12/388382512.db2.gz NWGDOHBNLJHZAE-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)Cc1ccccc1 ZINC000236727411 634512754 /nfs/dbraw/zinc/51/27/54/634512754.db2.gz LFFWTDZYEPHDIL-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000236730501 634512287 /nfs/dbraw/zinc/51/22/87/634512287.db2.gz IKGWSHNIHHVFAT-UHFFFAOYSA-N 1 0 221.319 3.617 20 0 BHADRO CC(C)=CC[NH2+]C1(c2ccccc2)CCC1 ZINC000236730765 388382231 /nfs/dbraw/zinc/38/22/31/388382231.db2.gz HRPUDZAGQSXHBD-UHFFFAOYSA-N 1 0 215.340 3.622 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]CCC(C)C)C(C)C ZINC000236735732 179398016 /nfs/dbraw/zinc/39/80/16/179398016.db2.gz HKVAVKTVNNJJAS-AWEZNQCLSA-N 1 0 234.387 3.723 20 0 BHADRO c1ccc(NCCC[NH2+]C2CCCCCC2)cc1 ZINC000236736003 343109426 /nfs/dbraw/zinc/10/94/26/343109426.db2.gz XDJUFTZVPDYHOJ-UHFFFAOYSA-N 1 0 246.398 3.801 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]CCC(C)C)C(C)C ZINC000236737716 179397848 /nfs/dbraw/zinc/39/78/48/179397848.db2.gz HKVAVKTVNNJJAS-CQSZACIVSA-N 1 0 234.387 3.723 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH2+]CC1CCC1 ZINC000236758931 350741608 /nfs/dbraw/zinc/74/16/08/350741608.db2.gz WQZMUFBSYJGGAU-UHFFFAOYSA-N 1 0 241.334 3.836 20 0 BHADRO C([NH2+]C(C1CCCC1)C1CCCC1)C1CC1 ZINC000236761749 634585498 /nfs/dbraw/zinc/58/54/98/634585498.db2.gz QRSPYNMRHXHRDV-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO c1cc(C[NH2+]C(C2CCCC2)C2CCCC2)c[nH]1 ZINC000236761793 711762051 /nfs/dbraw/zinc/76/20/51/711762051.db2.gz FHJZUFXEVUSPNL-UHFFFAOYSA-N 1 0 246.398 3.853 20 0 BHADRO CCCC(C)(C)[NH2+]C/C=C/c1ccccc1OC ZINC000236766265 346902913 /nfs/dbraw/zinc/90/29/13/346902913.db2.gz OYWYYJIDTIEXPG-CSKARUKUSA-N 1 0 247.382 3.877 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000236784898 346917338 /nfs/dbraw/zinc/91/73/38/346917338.db2.gz SDMGDWDYYZTNRE-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000236785680 346917598 /nfs/dbraw/zinc/91/75/98/346917598.db2.gz SDMGDWDYYZTNRE-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO CCCC(O)(CCC)C[NH2+]C1CCCCCC1 ZINC000236787024 325330190 /nfs/dbraw/zinc/33/01/90/325330190.db2.gz GWBCQXVCZFLBFH-UHFFFAOYSA-N 1 0 241.419 3.630 20 0 BHADRO CCCC1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000236800406 346933020 /nfs/dbraw/zinc/93/30/20/346933020.db2.gz GJEYNGGTSWAPAV-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000236806437 711761912 /nfs/dbraw/zinc/76/19/12/711761912.db2.gz VUILKNYQTICMAR-GDBMZVCRSA-N 1 0 249.398 3.587 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000236806556 711762023 /nfs/dbraw/zinc/76/20/23/711762023.db2.gz VUILKNYQTICMAR-ZBFHGGJFSA-N 1 0 249.398 3.587 20 0 BHADRO CC(C)(C)OCc1cccc(C[NH2+]CC2CC2)c1 ZINC000236812392 386314871 /nfs/dbraw/zinc/31/48/71/386314871.db2.gz JRFOBZUDSWFXHZ-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO CC(C)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000236822779 388383595 /nfs/dbraw/zinc/38/35/95/388383595.db2.gz GBSFVAIJAIXTSV-UHFFFAOYSA-N 1 0 225.763 3.821 20 0 BHADRO CCCCC1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000236826700 325333116 /nfs/dbraw/zinc/33/31/16/325333116.db2.gz WPPACEJTISWDFH-UHFFFAOYSA-N 1 0 234.387 3.853 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000236827100 343112436 /nfs/dbraw/zinc/11/24/36/343112436.db2.gz CHVJBMMHZNJEMM-PZJKJEQHSA-N 1 0 243.394 3.958 20 0 BHADRO CCO[C@@H](CC[NH2+]C1CCC(C)CC1)C(C)C ZINC000236840641 343113555 /nfs/dbraw/zinc/11/35/55/343113555.db2.gz FTYRAAXOFFXCOF-NRXISQOPSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+]C1CCCCCC1)C(C)C ZINC000236840710 343113727 /nfs/dbraw/zinc/11/37/27/343113727.db2.gz MVQWWJFRJWIONL-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCO[C@@H](CC[NH2+]CC(C)(C)C)C1CCCC1 ZINC000236840833 537923885 /nfs/dbraw/zinc/92/38/85/537923885.db2.gz VLMFCCVKMAXWMK-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](C)COC)C(C)(C)C ZINC000236851520 643695561 /nfs/dbraw/zinc/69/55/61/643695561.db2.gz DZXMDTCRZHMTNI-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H](C)COC)C(C)(C)C ZINC000236851580 635494159 /nfs/dbraw/zinc/49/41/59/635494159.db2.gz DZXMDTCRZHMTNI-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000236858103 635608471 /nfs/dbraw/zinc/60/84/71/635608471.db2.gz HQOCKXKSIZNZAP-UHFFFAOYSA-N 1 0 235.371 3.590 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000236860138 635519370 /nfs/dbraw/zinc/51/93/70/635519370.db2.gz VUILKNYQTICMAR-GOEBONIOSA-N 1 0 249.398 3.587 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000236860237 635521552 /nfs/dbraw/zinc/52/15/52/635521552.db2.gz VUILKNYQTICMAR-HOCLYGCPSA-N 1 0 249.398 3.587 20 0 BHADRO CCC(C)(CC)[NH2+]C/C=C/c1ccccc1OC ZINC000236862672 388384327 /nfs/dbraw/zinc/38/43/27/388384327.db2.gz GBNSIOOXHYGJMN-PKNBQFBNSA-N 1 0 247.382 3.877 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000236865849 347352203 /nfs/dbraw/zinc/35/22/03/347352203.db2.gz OGNMFRUVOJQYPH-HIFRSBDPSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000236865969 347352322 /nfs/dbraw/zinc/35/23/22/347352322.db2.gz RVMMXENFRBGWLF-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000236868551 350743689 /nfs/dbraw/zinc/74/36/89/350743689.db2.gz OGNMFRUVOJQYPH-UKRRQHHQSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1C ZINC000236868644 385343442 /nfs/dbraw/zinc/34/34/42/385343442.db2.gz RVMMXENFRBGWLF-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000236884599 349263723 /nfs/dbraw/zinc/26/37/23/349263723.db2.gz OGNMFRUVOJQYPH-ZFWWWQNUSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000236884687 349263647 /nfs/dbraw/zinc/26/36/47/349263647.db2.gz RVMMXENFRBGWLF-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000236886916 349268718 /nfs/dbraw/zinc/26/87/18/349268718.db2.gz OGNMFRUVOJQYPH-DZGCQCFKSA-N 1 0 232.371 3.530 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1C ZINC000236887011 349268706 /nfs/dbraw/zinc/26/87/06/349268706.db2.gz RVMMXENFRBGWLF-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCOc1cccc2cc([C@@H](C)[NH2+]C(C)C)oc21 ZINC000236887478 635138476 /nfs/dbraw/zinc/13/84/76/635138476.db2.gz QBMYRCHTVHFREQ-LLVKDONJSA-N 1 0 247.338 3.891 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000236888235 388386210 /nfs/dbraw/zinc/38/62/10/388386210.db2.gz DYNPDHCERIJCCK-HNNXBMFYSA-N 1 0 243.350 3.781 20 0 BHADRO CCOc1cccc2cc([C@H](C)[NH2+]C(C)C)oc21 ZINC000236888379 635137911 /nfs/dbraw/zinc/13/79/11/635137911.db2.gz QBMYRCHTVHFREQ-NSHDSACASA-N 1 0 247.338 3.891 20 0 BHADRO CCCOCc1ccccc1C[NH2+]CC(C)(C)C ZINC000236890946 349285685 /nfs/dbraw/zinc/28/56/85/349285685.db2.gz XBDODMWOUALCMT-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000236917451 350743734 /nfs/dbraw/zinc/74/37/34/350743734.db2.gz PSJWDUQELFXONK-AWEZNQCLSA-N 1 0 239.309 3.948 20 0 BHADRO CC[C@](C)([NH2+]CCC(C)C)c1nc(C)cs1 ZINC000236920778 388385088 /nfs/dbraw/zinc/38/50/88/388385088.db2.gz GAYUTIQRPVMABZ-ZDUSSCGKSA-N 1 0 240.416 3.712 20 0 BHADRO CCO[C@H](CC[NH2+]C1CCC(C)CC1)C(C)C ZINC000236944613 343116049 /nfs/dbraw/zinc/11/60/49/343116049.db2.gz FTYRAAXOFFXCOF-YMAMQOFZSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+]C1CCCCCC1)C(C)C ZINC000236944675 343116017 /nfs/dbraw/zinc/11/60/17/343116017.db2.gz MVQWWJFRJWIONL-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO CCO[C@H](CC[NH2+]CC(C)(C)C)C1CCCC1 ZINC000236944762 537944427 /nfs/dbraw/zinc/94/44/27/537944427.db2.gz VLMFCCVKMAXWMK-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1C)c1cccs1 ZINC000236951957 351060565 /nfs/dbraw/zinc/06/05/65/351060565.db2.gz IWNXEVFMTOHAQI-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CCc1ccc([C@@H]([NH2+][C@@H](C)COC)C(C)C)cc1 ZINC000236992990 259680309 /nfs/dbraw/zinc/68/03/09/259680309.db2.gz KYBGMFRTPJODSZ-BBRMVZONSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H]([NH2+][C@H](C)COC)C(C)C)cc1 ZINC000236993024 259680559 /nfs/dbraw/zinc/68/05/59/259680559.db2.gz KYBGMFRTPJODSZ-CJNGLKHVSA-N 1 0 249.398 3.571 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C1CC1 ZINC000236993421 387913019 /nfs/dbraw/zinc/91/30/19/387913019.db2.gz CDKQXMHLLHNNJJ-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C1CC1 ZINC000236993496 387912919 /nfs/dbraw/zinc/91/29/19/387912919.db2.gz CDKQXMHLLHNNJJ-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000236995680 351260756 /nfs/dbraw/zinc/26/07/56/351260756.db2.gz PSJWDUQELFXONK-CQSZACIVSA-N 1 0 239.309 3.948 20 0 BHADRO CCc1ccc([C@H]([NH2+][C@@H](C)COC)C(C)C)cc1 ZINC000236998027 388388064 /nfs/dbraw/zinc/38/80/64/388388064.db2.gz KYBGMFRTPJODSZ-XJKSGUPXSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H]([NH2+][C@H](C)COC)C(C)C)cc1 ZINC000236998060 259680074 /nfs/dbraw/zinc/68/00/74/259680074.db2.gz KYBGMFRTPJODSZ-CZUORRHYSA-N 1 0 249.398 3.571 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C1CC1 ZINC000237002359 136272074 /nfs/dbraw/zinc/27/20/74/136272074.db2.gz CDKQXMHLLHNNJJ-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C1CC1 ZINC000237002426 136272051 /nfs/dbraw/zinc/27/20/51/136272051.db2.gz CDKQXMHLLHNNJJ-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1CC1)Oc1cccc(C)c1 ZINC000237002856 325340694 /nfs/dbraw/zinc/34/06/94/325340694.db2.gz HROTWOQQJTYNIK-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1CC1)Oc1ccccc1C ZINC000237002898 325340944 /nfs/dbraw/zinc/34/09/44/325340944.db2.gz WQFKNCLOJGHLDO-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1CC1)Oc1cccc(C)c1 ZINC000237003938 325340738 /nfs/dbraw/zinc/34/07/38/325340738.db2.gz HROTWOQQJTYNIK-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1CC1)Oc1ccccc1C ZINC000237003971 325340602 /nfs/dbraw/zinc/34/06/02/325340602.db2.gz WQFKNCLOJGHLDO-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000237014122 635689858 /nfs/dbraw/zinc/68/98/58/635689858.db2.gz ZUNCQUIKFMFXIM-LLVKDONJSA-N 1 0 223.335 3.697 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccccc1OC ZINC000237014167 388388555 /nfs/dbraw/zinc/38/85/55/388388555.db2.gz KFDZCYDBMIGASU-GFCCVEGCSA-N 1 0 235.371 3.566 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccco1 ZINC000237016934 325340557 /nfs/dbraw/zinc/34/05/57/325340557.db2.gz HLUOGABVUOTDGC-HNNXBMFYSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1C)c1cccs1 ZINC000237020305 351270530 /nfs/dbraw/zinc/27/05/30/351270530.db2.gz IWNXEVFMTOHAQI-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000237033429 388388502 /nfs/dbraw/zinc/38/85/02/388388502.db2.gz DYNPDHCERIJCCK-OAHLLOKOSA-N 1 0 243.350 3.781 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+]CC(C)(C)C ZINC000237042262 537934991 /nfs/dbraw/zinc/93/49/91/537934991.db2.gz LMWCUCQFCKRCEY-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CN(CCCC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000237060264 350746337 /nfs/dbraw/zinc/74/63/37/350746337.db2.gz GGNLXXXJVXMNFQ-UHFFFAOYSA-N 1 0 248.414 3.539 20 0 BHADRO CC[C@@](C)([NH2+]CCC(C)C)c1nc(C)cs1 ZINC000237062431 388388710 /nfs/dbraw/zinc/38/87/10/388388710.db2.gz GAYUTIQRPVMABZ-CYBMUJFWSA-N 1 0 240.416 3.712 20 0 BHADRO COc1ccccc1C(C)(C)[NH2+]CCC(C)C ZINC000237103992 388389927 /nfs/dbraw/zinc/38/99/27/388389927.db2.gz AWHLXERVIWCQSI-UHFFFAOYSA-N 1 0 235.371 3.566 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000237104540 388389566 /nfs/dbraw/zinc/38/95/66/388389566.db2.gz FFHKLUICQOZZMA-IUODEOHRSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000237104571 388389823 /nfs/dbraw/zinc/38/98/23/388389823.db2.gz FFHKLUICQOZZMA-SWLSCSKDSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000237104652 388389371 /nfs/dbraw/zinc/38/93/71/388389371.db2.gz FFHKLUICQOZZMA-DOMZBBRYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000237104680 388389869 /nfs/dbraw/zinc/38/98/69/388389869.db2.gz FFHKLUICQOZZMA-WFASDCNBSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+]C2CCC(C)CC2)ccc1C ZINC000237106052 350746314 /nfs/dbraw/zinc/74/63/14/350746314.db2.gz GVNQVZUSNFSQLE-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000237115590 643695841 /nfs/dbraw/zinc/69/58/41/643695841.db2.gz ZUNCQUIKFMFXIM-NSHDSACASA-N 1 0 223.335 3.697 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1ccccc1OC ZINC000237115620 388389776 /nfs/dbraw/zinc/38/97/76/388389776.db2.gz KFDZCYDBMIGASU-LBPRGKRZSA-N 1 0 235.371 3.566 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000237133859 323194427 /nfs/dbraw/zinc/19/44/27/323194427.db2.gz XHPBKTDDSTXQAV-CQSZACIVSA-N 1 0 249.398 3.597 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000237138127 325345590 /nfs/dbraw/zinc/34/55/90/325345590.db2.gz XHPBKTDDSTXQAV-AWEZNQCLSA-N 1 0 249.398 3.597 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000237169055 387924749 /nfs/dbraw/zinc/92/47/49/387924749.db2.gz MVJOIMOEQXGWQT-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO COc1ccccc1C[NH2+]C1(C)CCC(C)CC1 ZINC000237169294 351347218 /nfs/dbraw/zinc/34/72/18/351347218.db2.gz RMYIZZQNMMQTAW-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000237169719 387924260 /nfs/dbraw/zinc/92/42/60/387924260.db2.gz MVJOIMOEQXGWQT-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO COc1ccc(C2([NH2+]CC(C)C)CCCC2)cc1 ZINC000237172084 259681603 /nfs/dbraw/zinc/68/16/03/259681603.db2.gz GDYRQHBBGBXQLY-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO COc1ccc(C(C)(C)C[NH2+]CC(C)(C)C)cc1 ZINC000237172202 351353442 /nfs/dbraw/zinc/35/34/42/351353442.db2.gz OVMXLGSPONVVDN-UHFFFAOYSA-N 1 0 249.398 3.609 20 0 BHADRO COc1ccc(C)cc1CC[NH2+]CCC(C)(C)C ZINC000237194514 325347852 /nfs/dbraw/zinc/34/78/52/325347852.db2.gz JDMVIOFYHWIECV-UHFFFAOYSA-N 1 0 249.398 3.572 20 0 BHADRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000237218254 636057446 /nfs/dbraw/zinc/05/74/46/636057446.db2.gz CIYGKIOCXIGDCG-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000237218726 636057341 /nfs/dbraw/zinc/05/73/41/636057341.db2.gz CIYGKIOCXIGDCG-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000237241437 134845107 /nfs/dbraw/zinc/84/51/07/134845107.db2.gz MVJOIMOEQXGWQT-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000237242069 387925262 /nfs/dbraw/zinc/92/52/62/387925262.db2.gz MVJOIMOEQXGWQT-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+]CC(C)(C)C)cc1 ZINC000237244768 351379936 /nfs/dbraw/zinc/37/99/36/351379936.db2.gz DPICSSNDJGRIJI-ZDUSSCGKSA-N 1 0 249.398 3.825 20 0 BHADRO COc1ccc([C@@H]([NH2+]CC=C(C)C)C(C)C)cc1 ZINC000237247024 325349254 /nfs/dbraw/zinc/34/92/54/325349254.db2.gz MVYITMZOBOTWTE-INIZCTEOSA-N 1 0 247.382 3.948 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+]CC(C)(C)C)cc1 ZINC000237250165 351380706 /nfs/dbraw/zinc/38/07/06/351380706.db2.gz DPICSSNDJGRIJI-CYBMUJFWSA-N 1 0 249.398 3.825 20 0 BHADRO COc1ccc([C@H]([NH2+]CC=C(C)C)C(C)C)cc1 ZINC000237251936 323195616 /nfs/dbraw/zinc/19/56/16/323195616.db2.gz MVYITMZOBOTWTE-MRXNPFEDSA-N 1 0 247.382 3.948 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C(C)(C)C)c1 ZINC000237321648 323107428 /nfs/dbraw/zinc/10/74/28/323107428.db2.gz USJZZRJHXUFBHM-ZDUSSCGKSA-N 1 0 219.372 3.704 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCC1)Oc1ccccc1 ZINC000237333559 343134950 /nfs/dbraw/zinc/13/49/50/343134950.db2.gz IXFZEGZRIYHADH-AWEZNQCLSA-N 1 0 247.382 3.766 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)c1ccc(F)cc1F ZINC000237337111 355834019 /nfs/dbraw/zinc/83/40/19/355834019.db2.gz QAADBYQWYKSCJZ-JTQLQIEISA-N 1 0 241.325 3.704 20 0 BHADRO C[C@@H]([NH2+]Cc1cccn1C)[C@@H](C)C1CCCCC1 ZINC000237350334 325352674 /nfs/dbraw/zinc/35/26/74/325352674.db2.gz GCOUGUKHSYHDQP-ZIAGYGMSSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H]([NH2+]Cc1cccn1C)[C@H](C)C1CCCCC1 ZINC000237350369 325352819 /nfs/dbraw/zinc/35/28/19/325352819.db2.gz GCOUGUKHSYHDQP-UONOGXRCSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C1CC1 ZINC000237360210 388393781 /nfs/dbraw/zinc/39/37/81/388393781.db2.gz AZSQDXLADWPDQA-MLGOLLRUSA-N 1 0 229.367 3.916 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)o1 ZINC000237361804 388394168 /nfs/dbraw/zinc/39/41/68/388394168.db2.gz DLSAELGFYRRMLO-ZDUSSCGKSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)c2cccc(C)c2)o1 ZINC000237361845 325353345 /nfs/dbraw/zinc/35/33/45/325353345.db2.gz SXTMPSDCDONOCF-ZDUSSCGKSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000237364796 387925072 /nfs/dbraw/zinc/92/50/72/387925072.db2.gz WNXXPNJWPADHRR-YPMHNXCESA-N 1 0 242.322 3.719 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C1CC1 ZINC000237365667 259682975 /nfs/dbraw/zinc/68/29/75/259682975.db2.gz AZSQDXLADWPDQA-WBMJQRKESA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(O)c1 ZINC000237377982 388393659 /nfs/dbraw/zinc/39/36/59/388393659.db2.gz NOJOBNZLDFZSFO-GFCCVEGCSA-N 1 0 235.371 3.697 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000237380859 636757327 /nfs/dbraw/zinc/75/73/27/636757327.db2.gz ALQSXDBZSJGTAA-ZDUSSCGKSA-N 1 0 243.325 3.719 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000237383129 636757702 /nfs/dbraw/zinc/75/77/02/636757702.db2.gz FGABMBRLQSVSER-IIAWOOMASA-N 1 0 231.383 3.877 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000237383160 636758177 /nfs/dbraw/zinc/75/81/77/636758177.db2.gz TWUSRANAUXQXQK-LALPHHSUSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000237383697 635612978 /nfs/dbraw/zinc/61/29/78/635612978.db2.gz TWUSRANAUXQXQK-TYNCELHUSA-N 1 0 235.346 3.707 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]Cc2cccs2)cc1 ZINC000237387200 355874881 /nfs/dbraw/zinc/87/48/81/355874881.db2.gz XHKUOSMHAZJDNO-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccsc2)cc1 ZINC000237387468 355874712 /nfs/dbraw/zinc/87/47/12/355874712.db2.gz LPQCNSNLKXFVJJ-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000237389331 636760332 /nfs/dbraw/zinc/76/03/32/636760332.db2.gz FGABMBRLQSVSER-FMKPAKJESA-N 1 0 231.383 3.877 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000237389363 636760248 /nfs/dbraw/zinc/76/02/48/636760248.db2.gz TWUSRANAUXQXQK-JMSVASOKSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000237389853 636760758 /nfs/dbraw/zinc/76/07/58/636760758.db2.gz TWUSRANAUXQXQK-XUJVJEKNSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](OCCC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000237416409 350749707 /nfs/dbraw/zinc/74/97/07/350749707.db2.gz YOGXJJQFXHXWLZ-CQSZACIVSA-N 1 0 249.398 3.790 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000237418262 325354883 /nfs/dbraw/zinc/35/48/83/325354883.db2.gz FYAKYOOLOZLSPI-CYBMUJFWSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2CC2)cc1 ZINC000237418320 388394640 /nfs/dbraw/zinc/39/46/40/388394640.db2.gz VZBOWHAILAZNMS-CYBMUJFWSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@H](C)C2CC2)c1 ZINC000237418412 388394582 /nfs/dbraw/zinc/39/45/82/388394582.db2.gz CMRLTQFARIAAIP-CYBMUJFWSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@H](C)C1CC1 ZINC000237418603 388394896 /nfs/dbraw/zinc/39/48/96/388394896.db2.gz MMISXUONCAOFKT-CYBMUJFWSA-N 1 0 231.383 3.661 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000237419589 388395138 /nfs/dbraw/zinc/39/51/38/388395138.db2.gz OVPZCGNJYACQHY-GRZMOONWSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000237421715 323107917 /nfs/dbraw/zinc/10/79/17/323107917.db2.gz MMZHNVADPKWOND-LLVKDONJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000237421853 388394601 /nfs/dbraw/zinc/39/46/01/388394601.db2.gz YKSYSFOODJXPPN-LLVKDONJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)C1CC1 ZINC000237421902 388394625 /nfs/dbraw/zinc/39/46/25/388394625.db2.gz PDTOOQPHNBTGMR-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]([NH2+]CCCCCc1ccccc1)C1CC1 ZINC000237426772 259683477 /nfs/dbraw/zinc/68/34/77/259683477.db2.gz DYQWLDPLRFCVEM-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000237427600 325355338 /nfs/dbraw/zinc/35/53/38/325355338.db2.gz ZMQFXOOQOOAUDA-GFCCVEGCSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000237427853 175877823 /nfs/dbraw/zinc/87/78/23/175877823.db2.gz NINNPYFXPIEYIM-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@H](C)C2CC2)cc1 ZINC000237428489 388395225 /nfs/dbraw/zinc/39/52/25/388395225.db2.gz SIPCHUWLVYHBOZ-CYBMUJFWSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000237428558 325355381 /nfs/dbraw/zinc/35/53/81/325355381.db2.gz XMXAWFAWVLORJT-CQSZACIVSA-N 1 0 231.383 3.542 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc2ccccc21)C1CC1 ZINC000237428834 325355231 /nfs/dbraw/zinc/35/52/31/325355231.db2.gz HBHPNSQYCRFHEO-CYBMUJFWSA-N 1 0 239.362 3.770 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc2ccccc2c1)C1CC1 ZINC000237429372 325355291 /nfs/dbraw/zinc/35/52/91/325355291.db2.gz RKCLPJIAYDWPPG-CYBMUJFWSA-N 1 0 239.362 3.770 20 0 BHADRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000237482438 325357204 /nfs/dbraw/zinc/35/72/04/325357204.db2.gz NNGGEUVGZGYOQK-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000237483160 325357276 /nfs/dbraw/zinc/35/72/76/325357276.db2.gz LKZIILCBJMEXQF-KGLIPLIRSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000237483190 325357251 /nfs/dbraw/zinc/35/72/51/325357251.db2.gz LKZIILCBJMEXQF-ZIAGYGMSSA-N 1 0 231.383 3.623 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(O)c1 ZINC000237496244 388395553 /nfs/dbraw/zinc/39/55/53/388395553.db2.gz NOJOBNZLDFZSFO-LBPRGKRZSA-N 1 0 235.371 3.697 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C(C)(C)C)c1 ZINC000237498473 388395525 /nfs/dbraw/zinc/39/55/25/388395525.db2.gz USJZZRJHXUFBHM-CYBMUJFWSA-N 1 0 219.372 3.704 20 0 BHADRO C[C@H]([NH2+]Cc1cccn1C)[C@@H](C)C1CCCCC1 ZINC000237508265 325358106 /nfs/dbraw/zinc/35/81/06/325358106.db2.gz GCOUGUKHSYHDQP-KGLIPLIRSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]Cc1cccn1C)C1CCCCC1 ZINC000237508300 325358126 /nfs/dbraw/zinc/35/81/26/325358126.db2.gz GCOUGUKHSYHDQP-KBPBESRZSA-N 1 0 248.414 3.720 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccco2)c(C)c1 ZINC000237512676 388396035 /nfs/dbraw/zinc/39/60/35/388396035.db2.gz AIXHKWNRGSJXTB-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000237513535 388395794 /nfs/dbraw/zinc/39/57/94/388395794.db2.gz ICOCULCYVAYZGD-KGLIPLIRSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000237513572 259683915 /nfs/dbraw/zinc/68/39/15/259683915.db2.gz ICOCULCYVAYZGD-ZIAGYGMSSA-N 1 0 231.383 3.623 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCC1)Oc1ccccc1 ZINC000237513938 343147066 /nfs/dbraw/zinc/14/70/66/343147066.db2.gz IXFZEGZRIYHADH-CQSZACIVSA-N 1 0 247.382 3.766 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)c1ccc(F)cc1F ZINC000237516727 357189130 /nfs/dbraw/zinc/18/91/30/357189130.db2.gz QAADBYQWYKSCJZ-SNVBAGLBSA-N 1 0 241.325 3.704 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000237519961 325358452 /nfs/dbraw/zinc/35/84/52/325358452.db2.gz GRBYRHXHOQIEMZ-BSWAZPDLSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccco2)c1 ZINC000237522997 325358484 /nfs/dbraw/zinc/35/84/84/325358484.db2.gz NNGGEUVGZGYOQK-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000237523439 325358561 /nfs/dbraw/zinc/35/85/61/325358561.db2.gz LKZIILCBJMEXQF-KBPBESRZSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000237523473 325358444 /nfs/dbraw/zinc/35/84/44/325358444.db2.gz LKZIILCBJMEXQF-UONOGXRCSA-N 1 0 231.383 3.623 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C1CC1 ZINC000237524888 388395635 /nfs/dbraw/zinc/39/56/35/388395635.db2.gz AZSQDXLADWPDQA-BLLLJJGKSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000237526095 637271911 /nfs/dbraw/zinc/27/19/11/637271911.db2.gz MIGIEKWTJANZCH-IAOVAPTHSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C1CC1 ZINC000237530071 388395870 /nfs/dbraw/zinc/39/58/70/388395870.db2.gz AZSQDXLADWPDQA-LRDDRELGSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000237531257 637304818 /nfs/dbraw/zinc/30/48/18/637304818.db2.gz MIGIEKWTJANZCH-XKQJLSEDSA-N 1 0 243.394 3.786 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)o1 ZINC000237537679 388395483 /nfs/dbraw/zinc/39/54/83/388395483.db2.gz DLSAELGFYRRMLO-CYBMUJFWSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)c2cccc(C)c2)o1 ZINC000237537712 325359455 /nfs/dbraw/zinc/35/94/55/325359455.db2.gz SXTMPSDCDONOCF-CYBMUJFWSA-N 1 0 243.350 3.790 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000237538575 325359259 /nfs/dbraw/zinc/35/92/59/325359259.db2.gz FYAKYOOLOZLSPI-ZDUSSCGKSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CC2)cc1 ZINC000237538614 259428702 /nfs/dbraw/zinc/42/87/02/259428702.db2.gz VZBOWHAILAZNMS-ZDUSSCGKSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@@H](C)C2CC2)c1 ZINC000237538680 388395447 /nfs/dbraw/zinc/39/54/47/388395447.db2.gz CMRLTQFARIAAIP-ZDUSSCGKSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@@H](C)C1CC1 ZINC000237538819 388395775 /nfs/dbraw/zinc/39/57/75/388395775.db2.gz MMISXUONCAOFKT-ZDUSSCGKSA-N 1 0 231.383 3.661 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000237539654 259683847 /nfs/dbraw/zinc/68/38/47/259683847.db2.gz OVPZCGNJYACQHY-BMQDGWLCSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000237541364 388396109 /nfs/dbraw/zinc/39/61/09/388396109.db2.gz MMZHNVADPKWOND-NSHDSACASA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000237541478 388395585 /nfs/dbraw/zinc/39/55/85/388395585.db2.gz YKSYSFOODJXPPN-NSHDSACASA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)C1CC1 ZINC000237541516 388395668 /nfs/dbraw/zinc/39/56/68/388395668.db2.gz PDTOOQPHNBTGMR-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]([NH2+]CCCCCc1ccccc1)C1CC1 ZINC000237544987 388396715 /nfs/dbraw/zinc/39/67/15/388396715.db2.gz DYQWLDPLRFCVEM-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000237545880 176845717 /nfs/dbraw/zinc/84/57/17/176845717.db2.gz NINNPYFXPIEYIM-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccco2)c(C)c1 ZINC000237546398 388397407 /nfs/dbraw/zinc/39/74/07/388397407.db2.gz AIXHKWNRGSJXTB-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@@H](C)C2CC2)cc1 ZINC000237546444 388397380 /nfs/dbraw/zinc/39/73/80/388397380.db2.gz SIPCHUWLVYHBOZ-ZDUSSCGKSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000237546502 325359290 /nfs/dbraw/zinc/35/92/90/325359290.db2.gz XMXAWFAWVLORJT-AWEZNQCLSA-N 1 0 231.383 3.542 20 0 BHADRO C[C@H]([NH2+]CCc1cccc2ccccc21)C1CC1 ZINC000237546733 325359312 /nfs/dbraw/zinc/35/93/12/325359312.db2.gz HBHPNSQYCRFHEO-ZDUSSCGKSA-N 1 0 239.362 3.770 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000237546992 259684458 /nfs/dbraw/zinc/68/44/58/259684458.db2.gz ICOCULCYVAYZGD-KBPBESRZSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000237547024 259684445 /nfs/dbraw/zinc/68/44/45/259684445.db2.gz ICOCULCYVAYZGD-UONOGXRCSA-N 1 0 231.383 3.623 20 0 BHADRO C[C@H]([NH2+]CCc1ccc2ccccc2c1)C1CC1 ZINC000237547185 325359445 /nfs/dbraw/zinc/35/94/45/325359445.db2.gz RKCLPJIAYDWPPG-ZDUSSCGKSA-N 1 0 239.362 3.770 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000237554891 642715215 /nfs/dbraw/zinc/71/52/15/642715215.db2.gz ALQSXDBZSJGTAA-CYBMUJFWSA-N 1 0 243.325 3.719 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]Cc2cccs2)cc1 ZINC000237560494 357217505 /nfs/dbraw/zinc/21/75/05/357217505.db2.gz XHKUOSMHAZJDNO-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]Cc2ccsc2)cc1 ZINC000237560749 357217165 /nfs/dbraw/zinc/21/71/65/357217165.db2.gz LPQCNSNLKXFVJJ-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000237575965 325360163 /nfs/dbraw/zinc/36/01/63/325360163.db2.gz ZMQFXOOQOOAUDA-LBPRGKRZSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@H](OCCC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000237576939 357231903 /nfs/dbraw/zinc/23/19/03/357231903.db2.gz YOGXJJQFXHXWLZ-AWEZNQCLSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000237586382 537947161 /nfs/dbraw/zinc/94/71/61/537947161.db2.gz FOTIDYGTBMQLFJ-LZWOXQAQSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ncccc1C[NH2+]CCCC1CCCCC1 ZINC000237594153 357242624 /nfs/dbraw/zinc/24/26/24/357242624.db2.gz LCTVBHQNRISBPA-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000237600209 537946751 /nfs/dbraw/zinc/94/67/51/537946751.db2.gz FOTIDYGTBMQLFJ-SQWLQELKSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc(OCCCC[NH2+]CC(C)(C)C)cc1 ZINC000237611099 357252727 /nfs/dbraw/zinc/25/27/27/357252727.db2.gz SKFBUBDSEBIDOP-UHFFFAOYSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]C2CCCC2)c1 ZINC000237615380 642722825 /nfs/dbraw/zinc/72/28/25/642722825.db2.gz BIPUVOYJBHWCBO-UHFFFAOYSA-N 1 0 231.383 3.805 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccco2)cc1 ZINC000237638689 388398584 /nfs/dbraw/zinc/39/85/84/388398584.db2.gz HNYAJYFVKPXOMA-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000237644847 537948773 /nfs/dbraw/zinc/94/87/73/537948773.db2.gz KMYYRGKFCHRDLT-DOMZBBRYSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000237646320 537948511 /nfs/dbraw/zinc/94/85/11/537948511.db2.gz KMYYRGKFCHRDLT-IUODEOHRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]C1CCCC1 ZINC000237685322 635618548 /nfs/dbraw/zinc/61/85/48/635618548.db2.gz FBRPFDCCUBFJFS-UHFFFAOYSA-N 1 0 231.383 3.805 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]Cc1ccco1 ZINC000237686021 388398030 /nfs/dbraw/zinc/39/80/30/388398030.db2.gz MUMHDHIHYBQFCZ-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO Cc1ccccc1C1(C[NH2+]CC(C)(C)C)CC1 ZINC000237688098 358000974 /nfs/dbraw/zinc/00/09/74/358000974.db2.gz XODBDGQTTISXAA-UHFFFAOYSA-N 1 0 231.383 3.662 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C(C)(C)C)C1 ZINC000237688183 179256687 /nfs/dbraw/zinc/25/66/87/179256687.db2.gz VUIPGXULWGBJLU-UHFFFAOYSA-N 1 0 217.356 3.629 20 0 BHADRO Cc1ccsc1C[NH2+]CCc1ccc(C)cc1 ZINC000237715146 350753481 /nfs/dbraw/zinc/75/34/81/350753481.db2.gz WWWIEPLKDFJBEW-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]CC3CC3)o2)cc1 ZINC000237718229 388397932 /nfs/dbraw/zinc/39/79/32/388397932.db2.gz XKWPSTJMAIRLDT-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1ccc(C[NH2+]CC2CC2)c(OC(C)(C)C)c1 ZINC000237732584 343179744 /nfs/dbraw/zinc/17/97/44/343179744.db2.gz NWRRAEHASDNZMV-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO Fc1ccc(C2(C[NH2+]C3CCCC3)CCC2)cc1 ZINC000237739542 642741995 /nfs/dbraw/zinc/74/19/95/642741995.db2.gz KDLANJXQNJOKSO-UHFFFAOYSA-N 1 0 247.357 3.780 20 0 BHADRO Fc1ccc(C2([NH2+]CC3CC3)CCCC2)cc1 ZINC000237743349 325367028 /nfs/dbraw/zinc/36/70/28/325367028.db2.gz MNPOFBLGXOBHDG-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000237771289 537949582 /nfs/dbraw/zinc/94/95/82/537949582.db2.gz KMYYRGKFCHRDLT-WFASDCNBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000237772636 537949765 /nfs/dbraw/zinc/94/97/65/537949765.db2.gz KMYYRGKFCHRDLT-SWLSCSKDSA-N 1 0 246.398 3.694 20 0 BHADRO Clc1cccc(CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000237776625 388398012 /nfs/dbraw/zinc/39/80/12/388398012.db2.gz IMQZWDBMWDEYOA-AWEZNQCLSA-N 1 0 249.785 3.828 20 0 BHADRO Clc1cccc(CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000237776654 388397832 /nfs/dbraw/zinc/39/78/32/388397832.db2.gz IMQZWDBMWDEYOA-CQSZACIVSA-N 1 0 249.785 3.828 20 0 BHADRO Cc1cc(C)c(CC[NH2+]Cc2ccco2)c(C)c1 ZINC000237811828 259685323 /nfs/dbraw/zinc/68/53/23/259685323.db2.gz PZQOUCJDESDMTP-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(C[NH2+]CCc2cc(C)cc(C)c2)o1 ZINC000237833805 325371069 /nfs/dbraw/zinc/37/10/69/325371069.db2.gz IGPUUAMONPOUFB-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]Cc2cccs2)c1 ZINC000237834055 642748223 /nfs/dbraw/zinc/74/82/23/642748223.db2.gz GDOJBSIEQQHJRW-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]Cc2ccsc2)c1 ZINC000237834104 642748483 /nfs/dbraw/zinc/74/84/83/642748483.db2.gz KOPLQEXGUXHWQB-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Clc1cccc(C2(C[NH2+]C3CCCC3)CC2)c1 ZINC000237843314 642751276 /nfs/dbraw/zinc/75/12/76/642751276.db2.gz VEHLQLBKUYILRR-UHFFFAOYSA-N 1 0 249.785 3.904 20 0 BHADRO Clc1ccc(C2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000237882205 642752972 /nfs/dbraw/zinc/75/29/72/642752972.db2.gz RXKNZCCBLLXAAR-UHFFFAOYSA-N 1 0 249.785 3.904 20 0 BHADRO CCCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000238189067 388401479 /nfs/dbraw/zinc/40/14/79/388401479.db2.gz WEJDLIVHIJVUKY-HUUCEWRRSA-N 1 0 217.356 3.570 20 0 BHADRO CCCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000238189089 259686434 /nfs/dbraw/zinc/68/64/34/259686434.db2.gz WEJDLIVHIJVUKY-CABCVRRESA-N 1 0 217.356 3.570 20 0 BHADRO CC1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000238197844 387831372 /nfs/dbraw/zinc/83/13/72/387831372.db2.gz VHIOKVAOMRNWNY-UHFFFAOYSA-N 1 0 217.356 3.745 20 0 BHADRO CCCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000238203913 537815968 /nfs/dbraw/zinc/81/59/68/537815968.db2.gz LLGDXQGEQYEWDW-RYSNWHEDSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000238204049 537816659 /nfs/dbraw/zinc/81/66/59/537816659.db2.gz LLGDXQGEQYEWDW-BLYZHGLHSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000238243471 537820854 /nfs/dbraw/zinc/82/08/54/537820854.db2.gz LLGDXQGEQYEWDW-ABXWRUBCSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000238243567 537819930 /nfs/dbraw/zinc/81/99/30/537819930.db2.gz LLGDXQGEQYEWDW-GFJIZPEISA-N 1 0 209.377 3.591 20 0 BHADRO CCCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000238248745 384313334 /nfs/dbraw/zinc/31/33/34/384313334.db2.gz WEJDLIVHIJVUKY-LSDHHAIUSA-N 1 0 217.356 3.570 20 0 BHADRO CCCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000238248758 385231081 /nfs/dbraw/zinc/23/10/81/385231081.db2.gz WEJDLIVHIJVUKY-GJZGRUSLSA-N 1 0 217.356 3.570 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)CC1)c1ccccc1 ZINC000238453264 388402147 /nfs/dbraw/zinc/40/21/47/388402147.db2.gz BYNPDFQHZFVWSW-YDHLFZDLSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)CC1)c1ccccc1 ZINC000238453490 259686228 /nfs/dbraw/zinc/68/62/28/259686228.db2.gz BYNPDFQHZFVWSW-UMVBOHGHSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC000238853170 524409579 /nfs/dbraw/zinc/40/95/79/524409579.db2.gz IMQYZTKHBZYESV-MDZLAQPJSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC000238853172 524316295 /nfs/dbraw/zinc/31/62/95/524316295.db2.gz IMQYZTKHBZYESV-NTZNESFSSA-N 1 0 223.385 3.662 20 0 BHADRO Cn1cccc1[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000245411390 388576789 /nfs/dbraw/zinc/57/67/89/388576789.db2.gz WRBGKXKZIYVDSW-GDBMZVCRSA-N 1 0 244.382 3.661 20 0 BHADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000245411391 388576317 /nfs/dbraw/zinc/57/63/17/388576317.db2.gz WRBGKXKZIYVDSW-ZBFHGGJFSA-N 1 0 244.382 3.661 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)[C@@H]1C=CCCC1 ZINC000245454777 387945472 /nfs/dbraw/zinc/94/54/72/387945472.db2.gz SFNLVKBYNVALBT-CHWSQXEVSA-N 1 0 227.417 3.559 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)[C@@H]1C=CCCC1 ZINC000245454778 387944751 /nfs/dbraw/zinc/94/47/51/387944751.db2.gz SFNLVKBYNVALBT-QWHCGFSZSA-N 1 0 227.417 3.559 20 0 BHADRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000245503011 411277270 /nfs/dbraw/zinc/27/72/70/411277270.db2.gz HLUHXLWIGTXUOC-GDBMZVCRSA-N 1 0 244.382 3.518 20 0 BHADRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000245503013 411277344 /nfs/dbraw/zinc/27/73/44/411277344.db2.gz HLUHXLWIGTXUOC-ZBFHGGJFSA-N 1 0 244.382 3.518 20 0 BHADRO CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000245504370 398139760 /nfs/dbraw/zinc/13/97/60/398139760.db2.gz KBTFPAGFLPPCAK-DGCLKSJQSA-N 1 0 221.344 3.633 20 0 BHADRO CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000245504371 398139786 /nfs/dbraw/zinc/13/97/86/398139786.db2.gz KBTFPAGFLPPCAK-YPMHNXCESA-N 1 0 221.344 3.633 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245508572 388585883 /nfs/dbraw/zinc/58/58/83/388585883.db2.gz SEYRQNNXDYBFHC-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245508573 325509320 /nfs/dbraw/zinc/50/93/20/325509320.db2.gz SEYRQNNXDYBFHC-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000245510724 388585225 /nfs/dbraw/zinc/58/52/25/388585225.db2.gz WUXLHUDJAYWEJA-NFAWXSAZSA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000245510725 388585230 /nfs/dbraw/zinc/58/52/30/388585230.db2.gz WUXLHUDJAYWEJA-UMVBOHGHSA-N 1 0 247.382 3.558 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000245511546 388585614 /nfs/dbraw/zinc/58/56/14/388585614.db2.gz YMAHCTKFIAKMQR-CHWSQXEVSA-N 1 0 219.328 3.629 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000245511547 388585677 /nfs/dbraw/zinc/58/56/77/388585677.db2.gz YMAHCTKFIAKMQR-QWHCGFSZSA-N 1 0 219.328 3.629 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000245513151 388585779 /nfs/dbraw/zinc/58/57/79/388585779.db2.gz CAUPHKOMHCUNGN-GVXVVHGQSA-N 1 0 221.344 3.633 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245513152 388585314 /nfs/dbraw/zinc/58/53/14/388585314.db2.gz CAUPHKOMHCUNGN-MDZLAQPJSA-N 1 0 221.344 3.633 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245513153 388585343 /nfs/dbraw/zinc/58/53/43/388585343.db2.gz CAUPHKOMHCUNGN-NTZNESFSSA-N 1 0 221.344 3.633 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245514858 388585682 /nfs/dbraw/zinc/58/56/82/388585682.db2.gz GNQRDEPGPXIACL-GYSYKLTISA-N 1 0 233.355 3.633 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245514859 388585396 /nfs/dbraw/zinc/58/53/96/388585396.db2.gz GNQRDEPGPXIACL-JTNHKYCSSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000245529591 387955195 /nfs/dbraw/zinc/95/51/95/387955195.db2.gz FWCJWYMTCCTXNV-KFWWJZLASA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000245529596 387955896 /nfs/dbraw/zinc/95/58/96/387955896.db2.gz FWCJWYMTCCTXNV-RBSFLKMASA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000245532885 387955390 /nfs/dbraw/zinc/95/53/90/387955390.db2.gz IMYGBSANIKSWFB-KFWWJZLASA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000245532888 387956041 /nfs/dbraw/zinc/95/60/41/387956041.db2.gz IMYGBSANIKSWFB-RBSFLKMASA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000245533600 388587922 /nfs/dbraw/zinc/58/79/22/388587922.db2.gz JEPGJGHFBRKFJC-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000245533602 388587820 /nfs/dbraw/zinc/58/78/20/388587820.db2.gz JEPGJGHFBRKFJC-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000245533721 387955473 /nfs/dbraw/zinc/95/54/73/387955473.db2.gz DOQVCEGFXVGXKH-NWDGAFQWSA-N 1 0 244.338 3.621 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245533724 387956182 /nfs/dbraw/zinc/95/61/82/387956182.db2.gz DOQVCEGFXVGXKH-VXGBXAGGSA-N 1 0 244.338 3.621 20 0 BHADRO CCC(CC)[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)CCO1 ZINC000245543389 325512314 /nfs/dbraw/zinc/51/23/14/325512314.db2.gz KQKCBYFEBRCXQW-AEGPPILISA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)CCO1 ZINC000245543391 325512343 /nfs/dbraw/zinc/51/23/43/325512343.db2.gz KQKCBYFEBRCXQW-NWANDNLSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000245543658 387957710 /nfs/dbraw/zinc/95/77/10/387957710.db2.gz SVWHSYQSHHIPHN-KFWWJZLASA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000245543660 387957248 /nfs/dbraw/zinc/95/72/48/387957248.db2.gz SVWHSYQSHHIPHN-RBSFLKMASA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cccnc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245544022 388588418 /nfs/dbraw/zinc/58/84/18/388588418.db2.gz TXNLKTGLFFGFQU-IIAWOOMASA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccnc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245544024 388588730 /nfs/dbraw/zinc/58/87/30/388588730.db2.gz TXNLKTGLFFGFQU-IJEWVQPXSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccnc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245544026 388588546 /nfs/dbraw/zinc/58/85/46/388588546.db2.gz TXNLKTGLFFGFQU-YCPHGPKFSA-N 1 0 244.382 3.543 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000245544633 388588094 /nfs/dbraw/zinc/58/80/94/388588094.db2.gz LHLVNMCHWQRGND-GRYCIOLGSA-N 1 0 244.338 3.619 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000245544636 388588219 /nfs/dbraw/zinc/58/82/19/388588219.db2.gz LHLVNMCHWQRGND-IJLUTSLNSA-N 1 0 244.338 3.619 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000245544638 388588430 /nfs/dbraw/zinc/58/84/30/388588430.db2.gz LHLVNMCHWQRGND-WOPDTQHZSA-N 1 0 244.338 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245551672 388589215 /nfs/dbraw/zinc/58/92/15/388589215.db2.gz PUBFRLUWMIGDBN-NEPJUHHUSA-N 1 0 244.338 3.621 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245551676 388589103 /nfs/dbraw/zinc/58/91/03/388589103.db2.gz PUBFRLUWMIGDBN-VXGBXAGGSA-N 1 0 244.338 3.621 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000245553111 388589897 /nfs/dbraw/zinc/58/98/97/388589897.db2.gz RBEBQXBCGNZBGS-NWDGAFQWSA-N 1 0 246.354 3.867 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000245553112 388589142 /nfs/dbraw/zinc/58/91/42/388589142.db2.gz RBEBQXBCGNZBGS-VXGBXAGGSA-N 1 0 246.354 3.867 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000245553178 387960129 /nfs/dbraw/zinc/96/01/29/387960129.db2.gz FBBZXIDYSIAOGN-DGCLKSJQSA-N 1 0 221.369 3.513 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000245553179 134858317 /nfs/dbraw/zinc/85/83/17/134858317.db2.gz FBBZXIDYSIAOGN-WCQYABFASA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cs1 ZINC000245564849 387961272 /nfs/dbraw/zinc/96/12/72/387961272.db2.gz RDVJSYLMUJBOLU-CHWSQXEVSA-N 1 0 221.369 3.513 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000245564850 387962585 /nfs/dbraw/zinc/96/25/85/387962585.db2.gz RDVJSYLMUJBOLU-QWHCGFSZSA-N 1 0 221.369 3.513 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000245567383 387961281 /nfs/dbraw/zinc/96/12/81/387961281.db2.gz FMQJUJXXUUKEBR-CFVMTHIKSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000245567384 387962294 /nfs/dbraw/zinc/96/22/94/387962294.db2.gz FMQJUJXXUUKEBR-QEJZJMRPSA-N 1 0 229.367 3.568 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)s1 ZINC000245580529 541397730 /nfs/dbraw/zinc/39/77/30/541397730.db2.gz IRMMXRYSSUDWFA-JFGNBEQYSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)s1 ZINC000245580532 537956207 /nfs/dbraw/zinc/95/62/07/537956207.db2.gz IRMMXRYSSUDWFA-SCVCMEIPSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000245583532 537957291 /nfs/dbraw/zinc/95/72/91/537957291.db2.gz KUYOQMZGJVHNOY-IVZWLZJFSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000245583537 537958006 /nfs/dbraw/zinc/95/80/06/537958006.db2.gz KUYOQMZGJVHNOY-LPEHRKFASA-N 1 0 226.389 3.537 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000245584316 325516241 /nfs/dbraw/zinc/51/62/41/325516241.db2.gz ISFORKDEBZXGMS-FQLMCAECSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000245584320 325516263 /nfs/dbraw/zinc/51/62/63/325516263.db2.gz ISFORKDEBZXGMS-HLPPOEQASA-N 1 0 247.382 3.602 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccco1 ZINC000245590016 349083483 /nfs/dbraw/zinc/08/34/83/349083483.db2.gz KNQQKPNNZKXQFS-QEJZJMRPSA-N 1 0 241.334 3.734 20 0 BHADRO C[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1c1ccccc1 ZINC000245602340 349083561 /nfs/dbraw/zinc/08/35/61/349083561.db2.gz KYXUCPFUUIGEKZ-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1C[N@@H+](C2CCC2)CC[C@H]1c1ccccc1 ZINC000245602343 349084057 /nfs/dbraw/zinc/08/40/57/349084057.db2.gz KYXUCPFUUIGEKZ-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000245620695 388594112 /nfs/dbraw/zinc/59/41/12/388594112.db2.gz WQWHTEGMBBVPGT-ABHRYQDASA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000245620699 325518721 /nfs/dbraw/zinc/51/87/21/325518721.db2.gz WQWHTEGMBBVPGT-JLNYLFASSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245621100 325518499 /nfs/dbraw/zinc/51/84/99/325518499.db2.gz WQWHTEGMBBVPGT-RMEBNNNOSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245621112 388593312 /nfs/dbraw/zinc/59/33/12/388593312.db2.gz WQWHTEGMBBVPGT-SBJFKYEJSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000245640259 644534307 /nfs/dbraw/zinc/53/43/07/644534307.db2.gz AXKMVUUKYFLLPO-FQLMCAECSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000245640266 644534535 /nfs/dbraw/zinc/53/45/35/644534535.db2.gz AXKMVUUKYFLLPO-KNCOVGOOSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000245640274 644533663 /nfs/dbraw/zinc/53/36/63/644533663.db2.gz AXKMVUUKYFLLPO-RZLSGREXSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccccc1)C(C)C ZINC000245645239 644534311 /nfs/dbraw/zinc/53/43/11/644534311.db2.gz BZYSIBOEVGEZNI-CWRNSKLLSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccccc1)C(C)C ZINC000245645251 641433038 /nfs/dbraw/zinc/43/30/38/641433038.db2.gz BZYSIBOEVGEZNI-VNQPRFMTSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccoc1 ZINC000245684197 349084745 /nfs/dbraw/zinc/08/47/45/349084745.db2.gz PLWYEIYFERVEEE-RCBQFDQVSA-N 1 0 241.334 3.734 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(O)c1 ZINC000245693285 388598583 /nfs/dbraw/zinc/59/85/83/388598583.db2.gz BTHUJJHDCHCHMD-IVMMDQJWSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(O)c1 ZINC000245693288 388599074 /nfs/dbraw/zinc/59/90/74/388599074.db2.gz BTHUJJHDCHCHMD-XNRPHZJLSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccco2)[C@@H](c2ccco2)C1 ZINC000245696476 387973044 /nfs/dbraw/zinc/97/30/44/387973044.db2.gz CJIBMCYQXPVGLF-GXTWGEPZSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccco2)[C@@H](c2ccco2)C1 ZINC000245696481 387973524 /nfs/dbraw/zinc/97/35/24/387973524.db2.gz CJIBMCYQXPVGLF-TZMCWYRMSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@@H]1C[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000245713844 388600581 /nfs/dbraw/zinc/60/05/81/388600581.db2.gz ZYUQZPIGHGTGMU-IUODEOHRSA-N 1 0 215.340 3.622 20 0 BHADRO C[C@H]1C[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000245713848 388600712 /nfs/dbraw/zinc/60/07/12/388600712.db2.gz ZYUQZPIGHGTGMU-SWLSCSKDSA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000245741634 387981270 /nfs/dbraw/zinc/98/12/70/387981270.db2.gz GFLFXDCBAHZVLJ-CABCVRRESA-N 1 0 230.355 3.573 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000245741636 387980810 /nfs/dbraw/zinc/98/08/10/387980810.db2.gz GFLFXDCBAHZVLJ-HUUCEWRRSA-N 1 0 230.355 3.573 20 0 BHADRO CC[C@H](c1ccncc1)[N@@H+](C)C[C@@H](C)CC ZINC000245741672 387980374 /nfs/dbraw/zinc/98/03/74/387980374.db2.gz GFWJZGGFOVMGBS-GXTWGEPZSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000245741674 387980330 /nfs/dbraw/zinc/98/03/30/387980330.db2.gz GFWJZGGFOVMGBS-TZMCWYRMSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCCOC ZINC000245751976 325527147 /nfs/dbraw/zinc/52/71/47/325527147.db2.gz HFCCEUIZOAEBKW-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCCOC ZINC000245751986 325527314 /nfs/dbraw/zinc/52/73/14/325527314.db2.gz HFCCEUIZOAEBKW-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@H]1c1ccccc1 ZINC000245757973 388603583 /nfs/dbraw/zinc/60/35/83/388603583.db2.gz PBZPKTQEQDRRJH-IUODEOHRSA-N 1 0 243.375 3.941 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccsc2)[C@H]1c1ccccc1 ZINC000245757975 388602808 /nfs/dbraw/zinc/60/28/08/388602808.db2.gz PBZPKTQEQDRRJH-SWLSCSKDSA-N 1 0 243.375 3.941 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@H]1c1ccccc1 ZINC000245788141 388605350 /nfs/dbraw/zinc/60/53/50/388605350.db2.gz VOXLONFTKXLGFZ-IUODEOHRSA-N 1 0 243.375 3.941 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccs2)[C@H]1c1ccccc1 ZINC000245788148 388605345 /nfs/dbraw/zinc/60/53/45/388605345.db2.gz VOXLONFTKXLGFZ-SWLSCSKDSA-N 1 0 243.375 3.941 20 0 BHADRO Cc1ncccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245790194 388605788 /nfs/dbraw/zinc/60/57/88/388605788.db2.gz VYNXLSDZHJKLNX-INWMFGNUSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ncccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245790197 388605366 /nfs/dbraw/zinc/60/53/66/388605366.db2.gz VYNXLSDZHJKLNX-IVMMDQJWSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ncccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245790200 388605477 /nfs/dbraw/zinc/60/54/77/388605477.db2.gz VYNXLSDZHJKLNX-XNRPHZJLSA-N 1 0 244.382 3.543 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000245810775 388606625 /nfs/dbraw/zinc/60/66/25/388606625.db2.gz ZIHLKEPJRBNRHU-UONOGXRCSA-N 1 0 245.366 3.741 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000245810777 388606434 /nfs/dbraw/zinc/60/64/34/388606434.db2.gz ZIHLKEPJRBNRHU-ZIAGYGMSSA-N 1 0 245.366 3.741 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000245843062 388607508 /nfs/dbraw/zinc/60/75/08/388607508.db2.gz KFKWZBRCWKNELT-QWHCGFSZSA-N 1 0 235.371 3.529 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000245843068 388607514 /nfs/dbraw/zinc/60/75/14/388607514.db2.gz KFKWZBRCWKNELT-STQMWFEESA-N 1 0 235.371 3.529 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000245843474 388607983 /nfs/dbraw/zinc/60/79/83/388607983.db2.gz KMPBMIZYDWABOZ-HIFRSBDPSA-N 1 0 234.387 3.598 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000245843479 388607389 /nfs/dbraw/zinc/60/73/89/388607389.db2.gz KMPBMIZYDWABOZ-ZFWWWQNUSA-N 1 0 234.387 3.598 20 0 BHADRO CCCO[C@@H]1CCC[N@H+](C[C@H](C)CCC)CC1 ZINC000245845336 388607875 /nfs/dbraw/zinc/60/78/75/388607875.db2.gz KYFBSSZARRHKKP-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCO[C@@H]1CCC[N@H+](C[C@@H](C)CCC)CC1 ZINC000245845340 388607579 /nfs/dbraw/zinc/60/75/79/388607579.db2.gz KYFBSSZARRHKKP-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000245852012 388607600 /nfs/dbraw/zinc/60/76/00/388607600.db2.gz MPBCOGQWBSNIIX-BBRMVZONSA-N 1 0 246.398 3.963 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000245852018 388607887 /nfs/dbraw/zinc/60/78/87/388607887.db2.gz MPBCOGQWBSNIIX-CJNGLKHVSA-N 1 0 246.398 3.963 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1cccs1 ZINC000245860159 388607433 /nfs/dbraw/zinc/60/74/33/388607433.db2.gz HTCYRBPPABDAPB-GHMZBOCLSA-N 1 0 211.374 3.787 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1cccs1 ZINC000245860170 388607320 /nfs/dbraw/zinc/60/73/20/388607320.db2.gz HTCYRBPPABDAPB-WDEREUQCSA-N 1 0 211.374 3.787 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000245861671 349083791 /nfs/dbraw/zinc/08/37/91/349083791.db2.gz HYEJMEAGVWFSCD-BFHYXJOUSA-N 1 0 249.398 3.654 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000245861680 349083832 /nfs/dbraw/zinc/08/38/32/349083832.db2.gz HYEJMEAGVWFSCD-MELADBBJSA-N 1 0 249.398 3.654 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)c1ccco1 ZINC000245866531 388607519 /nfs/dbraw/zinc/60/75/19/388607519.db2.gz QIUFLRREPLFCGO-NWDGAFQWSA-N 1 0 209.333 3.709 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)c1ccco1 ZINC000245866532 388607242 /nfs/dbraw/zinc/60/72/42/388607242.db2.gz QIUFLRREPLFCGO-VXGBXAGGSA-N 1 0 209.333 3.709 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000245871533 349090908 /nfs/dbraw/zinc/09/09/08/349090908.db2.gz RTEZHNZDEUCGTA-CHWSQXEVSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000245871537 349090898 /nfs/dbraw/zinc/09/08/98/349090898.db2.gz RTEZHNZDEUCGTA-QWHCGFSZSA-N 1 0 247.382 3.529 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000245879092 537955366 /nfs/dbraw/zinc/95/53/66/537955366.db2.gz AWHCISQWUDGCHH-SUNKGSAMSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000245879096 537956437 /nfs/dbraw/zinc/95/64/37/537956437.db2.gz AWHCISQWUDGCHH-UHIISALHSA-N 1 0 249.402 3.584 20 0 BHADRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)C(C)C)CCO1 ZINC000245881061 388608305 /nfs/dbraw/zinc/60/83/05/388608305.db2.gz BDQMIDSQIRSFJT-SNPRPXQTSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C(C)C)CCO1 ZINC000245881068 325532011 /nfs/dbraw/zinc/53/20/11/325532011.db2.gz BDQMIDSQIRSFJT-YUELXQCFSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000245889867 388609920 /nfs/dbraw/zinc/60/99/20/388609920.db2.gz ZHUMNQCFHOIGIW-QJPTWQEYSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000245889876 325532553 /nfs/dbraw/zinc/53/25/53/325532553.db2.gz ZHUMNQCFHOIGIW-SDDRHHMPSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1ccccn1 ZINC000245913301 387992547 /nfs/dbraw/zinc/99/25/47/387992547.db2.gz VTNWSWAHGJBFPW-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1ccccn1 ZINC000245913304 387992700 /nfs/dbraw/zinc/99/27/00/387992700.db2.gz VTNWSWAHGJBFPW-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO C[C@@H]1OCC[C@@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000245917888 388610241 /nfs/dbraw/zinc/61/02/41/388610241.db2.gz FXNDTPFFXYAOQS-AEGPPILISA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]1OCC[C@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000245917897 325533202 /nfs/dbraw/zinc/53/32/02/325533202.db2.gz FXNDTPFFXYAOQS-NWANDNLSSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000245934405 537958123 /nfs/dbraw/zinc/95/81/23/537958123.db2.gz IUAOWQRDHKDAMT-IACUBPJLSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000245934409 537957398 /nfs/dbraw/zinc/95/73/98/537957398.db2.gz IUAOWQRDHKDAMT-YUTCNCBUSA-N 1 0 249.402 3.584 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1c[nH]nc1C ZINC000246012265 537962356 /nfs/dbraw/zinc/96/23/56/537962356.db2.gz TYBSQZPFQIIJMB-KYOSRNDESA-N 1 0 249.402 3.728 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c[nH]nc1C ZINC000246012267 537962685 /nfs/dbraw/zinc/96/26/85/537962685.db2.gz TYBSQZPFQIIJMB-UXIGCNINSA-N 1 0 249.402 3.728 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246098536 388008794 /nfs/dbraw/zinc/00/87/94/388008794.db2.gz AQIMCNWSWFICDV-KGLIPLIRSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246098549 388008112 /nfs/dbraw/zinc/00/81/12/388008112.db2.gz AQIMCNWSWFICDV-ZIAGYGMSSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)CC1 ZINC000246111722 388010200 /nfs/dbraw/zinc/01/02/00/388010200.db2.gz CDIUVDPOBQTBCL-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)CC1 ZINC000246111733 388010360 /nfs/dbraw/zinc/01/03/60/388010360.db2.gz CDIUVDPOBQTBCL-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000246117036 388617570 /nfs/dbraw/zinc/61/75/70/388617570.db2.gz UHGCWNOKRITRHV-CHWSQXEVSA-N 1 0 231.339 3.914 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000246117042 388618073 /nfs/dbraw/zinc/61/80/73/388618073.db2.gz UHGCWNOKRITRHV-QWHCGFSZSA-N 1 0 231.339 3.914 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000246147640 388013714 /nfs/dbraw/zinc/01/37/14/388013714.db2.gz BTDDKBWHNAEYPZ-GXSJLCMTSA-N 1 0 240.416 3.799 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000246147649 535494917 /nfs/dbraw/zinc/49/49/17/535494917.db2.gz BTDDKBWHNAEYPZ-MWLCHTKSSA-N 1 0 240.416 3.799 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000246149017 374178601 /nfs/dbraw/zinc/17/86/01/374178601.db2.gz SQVDOBGWIXJJFM-NWDGAFQWSA-N 1 0 221.369 3.850 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000246149024 374178305 /nfs/dbraw/zinc/17/83/05/374178305.db2.gz SQVDOBGWIXJJFM-VXGBXAGGSA-N 1 0 221.369 3.850 20 0 BHADRO c1csc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000246153449 388619847 /nfs/dbraw/zinc/61/98/47/388619847.db2.gz UCMMSNXORJLDKC-CHWSQXEVSA-N 1 0 233.380 3.994 20 0 BHADRO c1csc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000246153458 388620262 /nfs/dbraw/zinc/62/02/62/388620262.db2.gz UCMMSNXORJLDKC-OLZOCXBDSA-N 1 0 233.380 3.994 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000246204289 325550124 /nfs/dbraw/zinc/55/01/24/325550124.db2.gz VWAYWPHSBCMQDV-QJPTWQEYSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000246204293 325549945 /nfs/dbraw/zinc/54/99/45/325549945.db2.gz VWAYWPHSBCMQDV-SDDRHHMPSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)[C@@H]1CCCO1 ZINC000246268811 388626393 /nfs/dbraw/zinc/62/63/93/388626393.db2.gz AKMTXIVPRWXLQY-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)[C@H]1CCCO1 ZINC000246268818 325555421 /nfs/dbraw/zinc/55/54/21/325555421.db2.gz AKMTXIVPRWXLQY-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000246275101 388627550 /nfs/dbraw/zinc/62/75/50/388627550.db2.gz RHYJRVGUTNTEBJ-DZGCQCFKSA-N 1 0 245.366 3.797 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000246275120 388627686 /nfs/dbraw/zinc/62/76/86/388627686.db2.gz RHYJRVGUTNTEBJ-UKRRQHHQSA-N 1 0 245.366 3.797 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000246295546 388628948 /nfs/dbraw/zinc/62/89/48/388628948.db2.gz UXHOGGNYMJSLKP-HIFRSBDPSA-N 1 0 234.387 3.598 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000246295561 388628794 /nfs/dbraw/zinc/62/87/94/388628794.db2.gz UXHOGGNYMJSLKP-ZFWWWQNUSA-N 1 0 234.387 3.598 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)C[C@H](C)O ZINC000246320345 349103597 /nfs/dbraw/zinc/10/35/97/349103597.db2.gz FHJUKRQRXOLOSS-IHRRRGAJSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)C[C@H](C)O ZINC000246320351 349103537 /nfs/dbraw/zinc/10/35/37/349103537.db2.gz FHJUKRQRXOLOSS-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccoc1 ZINC000246334556 388631156 /nfs/dbraw/zinc/63/11/56/388631156.db2.gz GJOBBBHTINUFNS-GVXVVHGQSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccoc1 ZINC000246334560 388630631 /nfs/dbraw/zinc/63/06/31/388630631.db2.gz GJOBBBHTINUFNS-NQBHXWOUSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000246335500 387075384 /nfs/dbraw/zinc/07/53/84/387075384.db2.gz GMFWAHAMQNRULQ-LZWOXQAQSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000246335510 387075117 /nfs/dbraw/zinc/07/51/17/387075117.db2.gz GMFWAHAMQNRULQ-SQWLQELKSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccco1 ZINC000246337993 323008605 /nfs/dbraw/zinc/00/86/05/323008605.db2.gz GQANLBSHIJVPCW-IJLUTSLNSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccco1 ZINC000246338000 323008634 /nfs/dbraw/zinc/00/86/34/323008634.db2.gz GQANLBSHIJVPCW-SRVKXCTJSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCCC1)[C@@H]1CCCO1 ZINC000246342328 388631175 /nfs/dbraw/zinc/63/11/75/388631175.db2.gz GYJKJBAOZCINCM-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCCC1)[C@H]1CCCO1 ZINC000246342337 388631281 /nfs/dbraw/zinc/63/12/81/388631281.db2.gz GYJKJBAOZCINCM-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@H]1CCCO1 ZINC000246371307 387079995 /nfs/dbraw/zinc/07/99/95/387079995.db2.gz JHQITDJXUSJMSK-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccccc1 ZINC000246371321 535931223 /nfs/dbraw/zinc/93/12/23/535931223.db2.gz JHQITDJXUSJMSK-HRCADAONSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000246373680 325560764 /nfs/dbraw/zinc/56/07/64/325560764.db2.gz JNLHGOOSHFCZND-PWNZVWSESA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000246373700 325560934 /nfs/dbraw/zinc/56/09/34/325560934.db2.gz JNLHGOOSHFCZND-RMRHIDDWSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000246373710 325560755 /nfs/dbraw/zinc/56/07/55/325560755.db2.gz JNLHGOOSHFCZND-XPCVCDNBSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)c1ccccc1 ZINC000246382986 644584604 /nfs/dbraw/zinc/58/46/04/644584604.db2.gz AAXSMJCUIIIUEY-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)c1ccccc1 ZINC000246383006 644585093 /nfs/dbraw/zinc/58/50/93/644585093.db2.gz AAXSMJCUIIIUEY-NUEKZKHPSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246390096 387082607 /nfs/dbraw/zinc/08/26/07/387082607.db2.gz CBTJUUAXGADUHZ-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246390104 387082626 /nfs/dbraw/zinc/08/26/26/387082626.db2.gz CBTJUUAXGADUHZ-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cn1 ZINC000246397322 325562623 /nfs/dbraw/zinc/56/26/23/325562623.db2.gz LJJHQHAOCZCVDK-UMVBOHGHSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cn1 ZINC000246397345 325562627 /nfs/dbraw/zinc/56/26/27/325562627.db2.gz LJJHQHAOCZCVDK-YDHLFZDLSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1C)[C@@H]1CCCO1 ZINC000246417751 388635902 /nfs/dbraw/zinc/63/59/02/388635902.db2.gz MZCLCKFQGKHSMT-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1C)[C@H]1CCCO1 ZINC000246417761 325563786 /nfs/dbraw/zinc/56/37/86/325563786.db2.gz MZCLCKFQGKHSMT-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000246444294 325564659 /nfs/dbraw/zinc/56/46/59/325564659.db2.gz OTDBSQUMAYJHHE-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000246444305 325564930 /nfs/dbraw/zinc/56/49/30/325564930.db2.gz OTDBSQUMAYJHHE-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000246531757 325570959 /nfs/dbraw/zinc/57/09/59/325570959.db2.gz VJRUQYMEDCSRKD-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000246531766 325571032 /nfs/dbraw/zinc/57/10/32/325571032.db2.gz VJRUQYMEDCSRKD-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000246538614 323009252 /nfs/dbraw/zinc/00/92/52/323009252.db2.gz VWHINCUOHBRSKL-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000246538627 323009295 /nfs/dbraw/zinc/00/92/95/323009295.db2.gz VWHINCUOHBRSKL-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246544116 359144751 /nfs/dbraw/zinc/14/47/51/359144751.db2.gz DDIXFZICYVJLNR-HZSPNIEDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246544124 359144629 /nfs/dbraw/zinc/14/46/29/359144629.db2.gz DDIXFZICYVJLNR-MGPQQGTHSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246544133 359145756 /nfs/dbraw/zinc/14/57/56/359145756.db2.gz DDIXFZICYVJLNR-RDBSUJKOSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000246547310 359144787 /nfs/dbraw/zinc/14/47/87/359144787.db2.gz WHRFGTBWIYTYOT-QJPTWQEYSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000246547319 359145616 /nfs/dbraw/zinc/14/56/16/359145616.db2.gz WHRFGTBWIYTYOT-SDDRHHMPSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000246561731 325571777 /nfs/dbraw/zinc/57/17/77/325571777.db2.gz XEJSEACJBXSWFT-XNRPHZJLSA-N 1 0 227.351 3.618 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000246561744 388644212 /nfs/dbraw/zinc/64/42/12/388644212.db2.gz XEJSEACJBXSWFT-XPKDYRNWSA-N 1 0 227.351 3.618 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)n1 ZINC000246584887 359149152 /nfs/dbraw/zinc/14/91/52/359149152.db2.gz BHQDVIYTEHIBBS-ADEWGFFLSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)n1 ZINC000246584904 359148998 /nfs/dbraw/zinc/14/89/98/359148998.db2.gz BHQDVIYTEHIBBS-USWWRNFRSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C=CCCC2)o1 ZINC000246603782 388645189 /nfs/dbraw/zinc/64/51/89/388645189.db2.gz QURGYUDMYFEQNQ-BZPMIXESSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2C=CCCC2)o1 ZINC000246603794 388645207 /nfs/dbraw/zinc/64/52/07/388645207.db2.gz QURGYUDMYFEQNQ-YRGRVCCFSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1nccs1 ZINC000246610712 359151168 /nfs/dbraw/zinc/15/11/68/359151168.db2.gz FHFTUMLHUVHYEK-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1nccs1 ZINC000246610724 359150889 /nfs/dbraw/zinc/15/08/89/359150889.db2.gz FHFTUMLHUVHYEK-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246632798 359153443 /nfs/dbraw/zinc/15/34/43/359153443.db2.gz SXIJDTLLWBZDNF-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246632806 359153528 /nfs/dbraw/zinc/15/35/28/359153528.db2.gz SXIJDTLLWBZDNF-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000246635227 171298371 /nfs/dbraw/zinc/29/83/71/171298371.db2.gz HZGYINGSSULXPE-RWMBFGLXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000246635237 171295329 /nfs/dbraw/zinc/29/53/29/171295329.db2.gz HZGYINGSSULXPE-YNEHKIRRSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000246711793 171298334 /nfs/dbraw/zinc/29/83/34/171298334.db2.gz LDIJAIVFDKBTCE-RWMBFGLXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000246711812 171295148 /nfs/dbraw/zinc/29/51/48/171295148.db2.gz LDIJAIVFDKBTCE-YNEHKIRRSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000246741955 171297954 /nfs/dbraw/zinc/29/79/54/171297954.db2.gz MTQJHIWPLPGXJG-RWMBFGLXSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000246741972 171295521 /nfs/dbraw/zinc/29/55/21/171295521.db2.gz MTQJHIWPLPGXJG-YNEHKIRRSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000246783660 359164072 /nfs/dbraw/zinc/16/40/72/359164072.db2.gz CJMMQWQVPPPECM-KKOKHZNYSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000246796569 388651460 /nfs/dbraw/zinc/65/14/60/388651460.db2.gz PHKULBZIJSURAI-QJPTWQEYSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000246796588 325579192 /nfs/dbraw/zinc/57/91/92/325579192.db2.gz PHKULBZIJSURAI-SDDRHHMPSA-N 1 0 209.333 3.755 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000246802169 323010739 /nfs/dbraw/zinc/01/07/39/323010739.db2.gz AEIODPRYGXTHQO-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000246802190 323010764 /nfs/dbraw/zinc/01/07/64/323010764.db2.gz AEIODPRYGXTHQO-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246832709 325579843 /nfs/dbraw/zinc/57/98/43/325579843.db2.gz GVDLHJMAJLJICS-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246832722 325580222 /nfs/dbraw/zinc/58/02/22/325580222.db2.gz GVDLHJMAJLJICS-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[N@H+]([C@H](C)c1cccc(O)c1)[C@H]1C=CCCC1 ZINC000246879811 388654291 /nfs/dbraw/zinc/65/42/91/388654291.db2.gz DKHQSVWXJSWNGL-HIFRSBDPSA-N 1 0 245.366 3.884 20 0 BHADRO CC[N@H+]([C@H](C)c1cccc(O)c1)[C@@H]1C=CCCC1 ZINC000246879836 388654092 /nfs/dbraw/zinc/65/40/92/388654092.db2.gz DKHQSVWXJSWNGL-UKRRQHHQSA-N 1 0 245.366 3.884 20 0 BHADRO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C(C)(C)C ZINC000246889402 325581300 /nfs/dbraw/zinc/58/13/00/325581300.db2.gz LZYFCVRYUNTZKU-AEAUEXCSSA-N 1 0 243.394 3.597 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C(C)(C)C ZINC000246889470 388654662 /nfs/dbraw/zinc/65/46/62/388654662.db2.gz LZYFCVRYUNTZKU-KSYCFECVSA-N 1 0 243.394 3.597 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCCOC ZINC000246905052 325581828 /nfs/dbraw/zinc/58/18/28/325581828.db2.gz FOTAOKUIZZMGJB-KFWWJZLASA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000246905082 325581732 /nfs/dbraw/zinc/58/17/32/325581732.db2.gz FOTAOKUIZZMGJB-RBSFLKMASA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000246938702 388655381 /nfs/dbraw/zinc/65/53/81/388655381.db2.gz HMCWTYACVXNDCY-OFQRWUPVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000246938724 388655102 /nfs/dbraw/zinc/65/51/02/388655102.db2.gz HMCWTYACVXNDCY-SQWLQELKSA-N 1 0 247.382 3.522 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000246963479 325582924 /nfs/dbraw/zinc/58/29/24/325582924.db2.gz HXQYLBWFHLYMFQ-FRRDWIJNSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000246963495 325582948 /nfs/dbraw/zinc/58/29/48/325582948.db2.gz HXQYLBWFHLYMFQ-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000246968804 325582819 /nfs/dbraw/zinc/58/28/19/325582819.db2.gz JHFZHVYBTNEFCO-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000246968825 325582859 /nfs/dbraw/zinc/58/28/59/325582859.db2.gz JHFZHVYBTNEFCO-NUEKZKHPSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1nccs1 ZINC000246992722 359181276 /nfs/dbraw/zinc/18/12/76/359181276.db2.gz RYHDPTJQMZVAAR-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000246993955 343016565 /nfs/dbraw/zinc/01/65/65/343016565.db2.gz STQFVGJGEHWGAA-DZGCQCFKSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000246993979 343016576 /nfs/dbraw/zinc/01/65/76/343016576.db2.gz STQFVGJGEHWGAA-UKRRQHHQSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000247007309 388658155 /nfs/dbraw/zinc/65/81/55/388658155.db2.gz KDHXBEQYORADLN-UGQVUOCMSA-N 1 0 247.382 3.541 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247012278 325584278 /nfs/dbraw/zinc/58/42/78/325584278.db2.gz KKKHKWLQTHBKBG-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247012297 388657989 /nfs/dbraw/zinc/65/79/89/388657989.db2.gz KKKHKWLQTHBKBG-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000247015906 171298441 /nfs/dbraw/zinc/29/84/41/171298441.db2.gz UJMHMIAXQKZKIF-GARJFASQSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000247015925 171295741 /nfs/dbraw/zinc/29/57/41/171295741.db2.gz UJMHMIAXQKZKIF-HBNTYKKESA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247016747 134967873 /nfs/dbraw/zinc/96/78/73/134967873.db2.gz UKJLRLYKQMWESE-NFAWXSAZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247016768 134967724 /nfs/dbraw/zinc/96/77/24/134967724.db2.gz UKJLRLYKQMWESE-UMVBOHGHSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H](C1CC1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000247027019 349110918 /nfs/dbraw/zinc/11/09/18/349110918.db2.gz ICCJMIPMVWFQAM-CHWSQXEVSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000247027042 349111082 /nfs/dbraw/zinc/11/10/82/349111082.db2.gz ICCJMIPMVWFQAM-QWHCGFSZSA-N 1 0 217.356 3.520 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C(C)C)C1 ZINC000247030088 325584610 /nfs/dbraw/zinc/58/46/10/325584610.db2.gz LGCLUBQZEVSIML-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(C)C)C1 ZINC000247030111 388657639 /nfs/dbraw/zinc/65/76/39/388657639.db2.gz LGCLUBQZEVSIML-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000247041987 535943140 /nfs/dbraw/zinc/94/31/40/535943140.db2.gz MTVZXCDMFQGFDD-RWMBFGLXSA-N 1 0 237.391 3.549 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000247042004 134969929 /nfs/dbraw/zinc/96/99/29/134969929.db2.gz MTVZXCDMFQGFDD-YNEHKIRRSA-N 1 0 237.391 3.549 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1C ZINC000247050503 388657754 /nfs/dbraw/zinc/65/77/54/388657754.db2.gz NGQWBBTVLPECTC-OFQRWUPVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1C ZINC000247050524 325585417 /nfs/dbraw/zinc/58/54/17/325585417.db2.gz NGQWBBTVLPECTC-SQWLQELKSA-N 1 0 247.382 3.522 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000247056716 388658879 /nfs/dbraw/zinc/65/88/79/388658879.db2.gz MJRBIHBYHIYZDF-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000247056738 388659120 /nfs/dbraw/zinc/65/91/20/388659120.db2.gz MJRBIHBYHIYZDF-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000247059373 388658621 /nfs/dbraw/zinc/65/86/21/388658621.db2.gz KAFBZTPFXDJITK-QWHCGFSZSA-N 1 0 205.345 3.520 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000247059400 388658470 /nfs/dbraw/zinc/65/84/70/388658470.db2.gz KAFBZTPFXDJITK-STQMWFEESA-N 1 0 205.345 3.520 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247060713 388658883 /nfs/dbraw/zinc/65/88/83/388658883.db2.gz NUEDRGGYJFCKSG-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000247060742 325585543 /nfs/dbraw/zinc/58/55/43/325585543.db2.gz NUEDRGGYJFCKSG-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000247070062 388658490 /nfs/dbraw/zinc/65/84/90/388658490.db2.gz MYEHQMMWAHLWQB-DZKIICNBSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000247070074 388658433 /nfs/dbraw/zinc/65/84/33/388658433.db2.gz MYEHQMMWAHLWQB-LZWOXQAQSA-N 1 0 248.414 3.845 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000247077035 388658757 /nfs/dbraw/zinc/65/87/57/388658757.db2.gz SOOXVHWWVNDZAW-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000247077055 325585647 /nfs/dbraw/zinc/58/56/47/325585647.db2.gz SOOXVHWWVNDZAW-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1C[C@@H]3CCC[C@H]3C1)CC2 ZINC000247090465 325585990 /nfs/dbraw/zinc/58/59/90/325585990.db2.gz JLLUBINGVXJRSE-HEHGZKQESA-N 1 0 245.341 3.545 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000247112032 388659082 /nfs/dbraw/zinc/65/90/82/388659082.db2.gz YKSGLNIXDMBJBR-RWMBFGLXSA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000247112041 388658424 /nfs/dbraw/zinc/65/84/24/388658424.db2.gz YKSGLNIXDMBJBR-YNEHKIRRSA-N 1 0 235.371 3.868 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000247171443 325587340 /nfs/dbraw/zinc/58/73/40/325587340.db2.gz SQDNVFMWWYOEFR-KKUMJFAQSA-N 1 0 249.398 3.583 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000247171460 388659479 /nfs/dbraw/zinc/65/94/79/388659479.db2.gz SQDNVFMWWYOEFR-SOUVJXGZSA-N 1 0 249.398 3.583 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]1C ZINC000247193262 359199974 /nfs/dbraw/zinc/19/99/74/359199974.db2.gz BTENMRQIFBHTDZ-NXEZZACHSA-N 1 0 225.282 3.510 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]1C ZINC000247193274 359200752 /nfs/dbraw/zinc/20/07/52/359200752.db2.gz BTENMRQIFBHTDZ-VHSXEESVSA-N 1 0 225.282 3.510 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000247244283 364620906 /nfs/dbraw/zinc/62/09/06/364620906.db2.gz ZMDFODPQNWGZFT-INTQDDNPSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000247244297 364621056 /nfs/dbraw/zinc/62/10/56/364621056.db2.gz ZMDFODPQNWGZFT-JMJZKYOTSA-N 1 0 226.389 3.537 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C1CCOCC1 ZINC000247248369 325588532 /nfs/dbraw/zinc/58/85/32/325588532.db2.gz YEIGDMFFRZRZOR-GUTXKFCHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)C1CCOCC1 ZINC000247248377 325588859 /nfs/dbraw/zinc/58/88/59/325588859.db2.gz YEIGDMFFRZRZOR-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C ZINC000247249407 388660428 /nfs/dbraw/zinc/66/04/28/388660428.db2.gz DVLPJEBCSMUYCE-OCCSQVGLSA-N 1 0 203.329 3.622 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1C ZINC000247249417 388660681 /nfs/dbraw/zinc/66/06/81/388660681.db2.gz DVLPJEBCSMUYCE-TZMCWYRMSA-N 1 0 203.329 3.622 20 0 BHADRO c1csc(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000247263862 644627312 /nfs/dbraw/zinc/62/73/12/644627312.db2.gz FLTMFFKVXVIJQI-GXTWGEPZSA-N 1 0 235.396 3.555 20 0 BHADRO c1csc(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000247263872 644627811 /nfs/dbraw/zinc/62/78/11/644627811.db2.gz FLTMFFKVXVIJQI-TZMCWYRMSA-N 1 0 235.396 3.555 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000247291077 388662318 /nfs/dbraw/zinc/66/23/18/388662318.db2.gz ZDCLGVSXWWAMKA-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000247291083 388661787 /nfs/dbraw/zinc/66/17/87/388661787.db2.gz ZDCLGVSXWWAMKA-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000247291094 325589267 /nfs/dbraw/zinc/58/92/67/325589267.db2.gz ZDCLGVSXWWAMKA-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000247291106 325589242 /nfs/dbraw/zinc/58/92/42/325589242.db2.gz ZDCLGVSXWWAMKA-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000247294944 359209032 /nfs/dbraw/zinc/20/90/32/359209032.db2.gz USGRCEBXOKKQOR-MNOVXSKESA-N 1 0 209.358 3.684 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000247294952 359209167 /nfs/dbraw/zinc/20/91/67/359209167.db2.gz USGRCEBXOKKQOR-QWRGUYRKSA-N 1 0 209.358 3.684 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000247303964 187676843 /nfs/dbraw/zinc/67/68/43/187676843.db2.gz IUOQMUIQNKSTKZ-FRRDWIJNSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000247303971 187330573 /nfs/dbraw/zinc/33/05/73/187330573.db2.gz IUOQMUIQNKSTKZ-JHJVBQTASA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247308714 388661913 /nfs/dbraw/zinc/66/19/13/388661913.db2.gz VGJCDDOAWLVHLU-SPCAWNFKSA-N 1 0 243.394 3.597 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000247308722 325589572 /nfs/dbraw/zinc/58/95/72/325589572.db2.gz VGJCDDOAWLVHLU-XBJNOIPFSA-N 1 0 243.394 3.597 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247325086 325589468 /nfs/dbraw/zinc/58/94/68/325589468.db2.gz MQWBRRBKRPNJNV-XBFCOCLRSA-N 1 0 233.330 3.619 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C(C)C ZINC000247331165 388663412 /nfs/dbraw/zinc/66/34/12/388663412.db2.gz WWHFLLLNKFUFSW-WCXIOVBPSA-N 1 0 243.394 3.597 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C(C)C ZINC000247331174 325589870 /nfs/dbraw/zinc/58/98/70/325589870.db2.gz WWHFLLLNKFUFSW-YVSFHVDLSA-N 1 0 243.394 3.597 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247389908 325590739 /nfs/dbraw/zinc/59/07/39/325590739.db2.gz QHWHUNTTYSZKED-AGIUHOORSA-N 1 0 233.330 3.619 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2)CCS1 ZINC000247488561 388665143 /nfs/dbraw/zinc/66/51/43/388665143.db2.gz KTHZYQRKRSAEMG-OCCSQVGLSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)CCS1 ZINC000247489016 388665175 /nfs/dbraw/zinc/66/51/75/388665175.db2.gz KTHZYQRKRSAEMG-TZMCWYRMSA-N 1 0 235.396 3.575 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2C)c1 ZINC000247492191 411210278 /nfs/dbraw/zinc/21/02/78/411210278.db2.gz LAFBQIMDSPGFLO-CHWSQXEVSA-N 1 0 203.329 3.540 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H]2C)c1 ZINC000247492207 411210316 /nfs/dbraw/zinc/21/03/16/411210316.db2.gz LAFBQIMDSPGFLO-OLZOCXBDSA-N 1 0 203.329 3.540 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247493382 325592604 /nfs/dbraw/zinc/59/26/04/325592604.db2.gz XAGXDBKOMDLBEI-XBFCOCLRSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]1C ZINC000247555197 359233734 /nfs/dbraw/zinc/23/37/34/359233734.db2.gz QHLFQOZKBFAGCO-NXEZZACHSA-N 1 0 225.282 3.510 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]1C ZINC000247555211 359234244 /nfs/dbraw/zinc/23/42/44/359234244.db2.gz QHLFQOZKBFAGCO-VHSXEESVSA-N 1 0 225.282 3.510 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000247558749 388666713 /nfs/dbraw/zinc/66/67/13/388666713.db2.gz YBRGKWIRSJZWKQ-BBRMVZONSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000247558756 388666306 /nfs/dbraw/zinc/66/63/06/388666306.db2.gz YBRGKWIRSJZWKQ-CJNGLKHVSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000247558762 388666652 /nfs/dbraw/zinc/66/66/52/388666652.db2.gz YBRGKWIRSJZWKQ-CZUORRHYSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000247558769 388666584 /nfs/dbraw/zinc/66/65/84/388666584.db2.gz YBRGKWIRSJZWKQ-XJKSGUPXSA-N 1 0 247.357 3.980 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)[C@@H]2C=CCCC2)C1 ZINC000247560872 388666739 /nfs/dbraw/zinc/66/67/39/388666739.db2.gz QTRITKWXMJIIGP-HZSPNIEDSA-N 1 0 239.428 3.701 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2C=CCCC2)C1 ZINC000247560875 388666410 /nfs/dbraw/zinc/66/64/10/388666410.db2.gz QTRITKWXMJIIGP-MGPQQGTHSA-N 1 0 239.428 3.701 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]1C ZINC000247572660 359235293 /nfs/dbraw/zinc/23/52/93/359235293.db2.gz RYFVNZIWMSJTRW-NXEZZACHSA-N 1 0 225.282 3.510 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]1C ZINC000247572672 359235026 /nfs/dbraw/zinc/23/50/26/359235026.db2.gz RYFVNZIWMSJTRW-VHSXEESVSA-N 1 0 225.282 3.510 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000247573826 388667798 /nfs/dbraw/zinc/66/77/98/388667798.db2.gz LNXWJOIKWKZYTA-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000247573832 388667783 /nfs/dbraw/zinc/66/77/83/388667783.db2.gz LNXWJOIKWKZYTA-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000247828061 388670717 /nfs/dbraw/zinc/67/07/17/388670717.db2.gz KFQDAJOBCKENQO-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CCC[N@@H+](Cc1cccc(C)c1)CC1CC1 ZINC000247871012 538102687 /nfs/dbraw/zinc/10/26/87/538102687.db2.gz LEMJPGNHIVOLMH-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000247885377 325597539 /nfs/dbraw/zinc/59/75/39/325597539.db2.gz CZBFBAIEOUJQLM-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000247885382 325597325 /nfs/dbraw/zinc/59/73/25/325597325.db2.gz CZBFBAIEOUJQLM-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000247887092 388670187 /nfs/dbraw/zinc/67/01/87/388670187.db2.gz DIKNJYHSDVKSTR-BFHYXJOUSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000247887097 325597264 /nfs/dbraw/zinc/59/72/64/325597264.db2.gz DIKNJYHSDVKSTR-MJBXVCDLSA-N 1 0 234.387 3.947 20 0 BHADRO COc1cccc(C[N@H+](C)CC2CCCCC2)c1 ZINC000247897423 388670760 /nfs/dbraw/zinc/67/07/60/388670760.db2.gz PHLNKVMWLGMUKH-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000247934083 344983463 /nfs/dbraw/zinc/98/34/63/344983463.db2.gz RNEBXTVXNJUEMK-AWEZNQCLSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC000247934369 359250052 /nfs/dbraw/zinc/25/00/52/359250052.db2.gz CIIYDNWQQYUVOO-CHWSQXEVSA-N 1 0 203.329 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]1C ZINC000247934370 359250014 /nfs/dbraw/zinc/25/00/14/359250014.db2.gz CIIYDNWQQYUVOO-OLZOCXBDSA-N 1 0 203.329 3.540 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000247964432 387137163 /nfs/dbraw/zinc/13/71/63/387137163.db2.gz GPTQUXWWGSEUAH-DOMZBBRYSA-N 1 0 232.371 3.573 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000247964435 171280731 /nfs/dbraw/zinc/28/07/31/171280731.db2.gz GPTQUXWWGSEUAH-WFASDCNBSA-N 1 0 232.371 3.573 20 0 BHADRO CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000247978355 538103982 /nfs/dbraw/zinc/10/39/82/538103982.db2.gz GNAJRGCXCVPYSF-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000247985002 388671854 /nfs/dbraw/zinc/67/18/54/388671854.db2.gz ITCAYXUHXMHKPX-CYDGBPFRSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000247985005 325598789 /nfs/dbraw/zinc/59/87/89/325598789.db2.gz ITCAYXUHXMHKPX-ZDEQEGDKSA-N 1 0 229.433 3.685 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)n1 ZINC000247995934 359251940 /nfs/dbraw/zinc/25/19/40/359251940.db2.gz JWCBZRHUSOPZLY-GDBMZVCRSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)n1 ZINC000247995938 359250857 /nfs/dbraw/zinc/25/08/57/359250857.db2.gz JWCBZRHUSOPZLY-ZBFHGGJFSA-N 1 0 242.366 3.636 20 0 BHADRO CCC[N@@H+](Cc1ccc(Cl)cc1)CC1CC1 ZINC000248005809 541427538 /nfs/dbraw/zinc/42/75/38/541427538.db2.gz PQCSXKUTXITONN-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248021140 325599253 /nfs/dbraw/zinc/59/92/53/325599253.db2.gz NQUOWMFKPAWKBQ-AVGNSLFASA-N 1 0 235.371 3.575 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248021142 388672329 /nfs/dbraw/zinc/67/23/29/388672329.db2.gz NQUOWMFKPAWKBQ-RWMBFGLXSA-N 1 0 235.371 3.575 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000248030079 325599730 /nfs/dbraw/zinc/59/97/30/325599730.db2.gz QCFCGNNSCHYZAT-GUTXKFCHSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000248030084 388672830 /nfs/dbraw/zinc/67/28/30/388672830.db2.gz QCFCGNNSCHYZAT-GZBFAFLISA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000248042787 644661674 /nfs/dbraw/zinc/66/16/74/644661674.db2.gz VLYDPLPWVSGSBZ-OAHLLOKOSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000248049242 323134120 /nfs/dbraw/zinc/13/41/20/323134120.db2.gz VVPNSAHFGXQFEQ-AVGNSLFASA-N 1 0 205.345 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000248049244 388673340 /nfs/dbraw/zinc/67/33/40/388673340.db2.gz VVPNSAHFGXQFEQ-RWMBFGLXSA-N 1 0 205.345 3.567 20 0 BHADRO C[N@H+](CCOc1ccccc1)CC1CCCCC1 ZINC000248082317 388673513 /nfs/dbraw/zinc/67/35/13/388673513.db2.gz VSWJRBWUVPZJJA-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO CCC[N@@H+](Cc1ccc(C)cc1)CC1CC1 ZINC000248106024 537806809 /nfs/dbraw/zinc/80/68/09/537806809.db2.gz PDQCXVXJDIHWHG-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000248121757 325600925 /nfs/dbraw/zinc/60/09/25/325600925.db2.gz NKOKADFSPDDPCK-KGYLQXTDSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000248121761 388674422 /nfs/dbraw/zinc/67/44/22/388674422.db2.gz NKOKADFSPDDPCK-RAIGVLPGSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H]1CC[N@H+](CCCF)[C@H]1c1cccc(F)c1 ZINC000248128256 323134224 /nfs/dbraw/zinc/13/42/24/323134224.db2.gz OEGOLQFLBWSRAG-BXUZGUMPSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H]1CC[N@H+](CCCF)[C@H]1c1cccc(F)c1 ZINC000248128259 388674229 /nfs/dbraw/zinc/67/42/29/388674229.db2.gz OEGOLQFLBWSRAG-SMDDNHRTSA-N 1 0 239.309 3.568 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000248128727 388674568 /nfs/dbraw/zinc/67/45/68/388674568.db2.gz XUJCNGPSUUENOE-AWEZNQCLSA-N 1 0 217.356 3.678 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000248130652 388674273 /nfs/dbraw/zinc/67/42/73/388674273.db2.gz YKDGUSVULWMXKO-SECBINFHSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000248130656 388673840 /nfs/dbraw/zinc/67/38/40/388673840.db2.gz YKDGUSVULWMXKO-VIFPVBQESA-N 1 0 229.776 3.776 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000248135430 325601000 /nfs/dbraw/zinc/60/10/00/325601000.db2.gz PAAQWZUCWXSHCE-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000248135434 388674625 /nfs/dbraw/zinc/67/46/25/388674625.db2.gz PAAQWZUCWXSHCE-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO CCCCC[N@H+](C)Cc1ccccc1C ZINC000248142863 537810988 /nfs/dbraw/zinc/81/09/88/537810988.db2.gz GDYBTQDSALGRFC-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CCCC[N@H+](CC)Cc1ccccc1C ZINC000248150123 537811828 /nfs/dbraw/zinc/81/18/28/537811828.db2.gz JJHDZVHXLNIIOE-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000248151220 359255828 /nfs/dbraw/zinc/25/58/28/359255828.db2.gz QUYCOOCGPQOZNO-OFQRWUPVSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000248151221 359256604 /nfs/dbraw/zinc/25/66/04/359256604.db2.gz QUYCOOCGPQOZNO-SQWLQELKSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000248151224 359256165 /nfs/dbraw/zinc/25/61/65/359256165.db2.gz QUYPDTFNMUOUFQ-SNPRPXQTSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000248151225 359256011 /nfs/dbraw/zinc/25/60/11/359256011.db2.gz QUYPDTFNMUOUFQ-VHDGCEQUSA-N 1 0 232.371 3.701 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000248177218 359257339 /nfs/dbraw/zinc/25/73/39/359257339.db2.gz VTVCXESDFYOARA-GRYCIOLGSA-N 1 0 239.384 3.604 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000248177221 359257123 /nfs/dbraw/zinc/25/71/23/359257123.db2.gz VTVCXESDFYOARA-IJLUTSLNSA-N 1 0 239.384 3.604 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1)C1CCCCC1 ZINC000248232496 541429296 /nfs/dbraw/zinc/42/92/96/541429296.db2.gz CJDIHAHCUPCFPI-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CCCC[N@H+](C)CCSc1ccccc1F ZINC000248243218 345090914 /nfs/dbraw/zinc/09/09/14/345090914.db2.gz PIQQPHWJVICLEE-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000248243876 388675187 /nfs/dbraw/zinc/67/51/87/388675187.db2.gz PQVZBYFKQSKHAR-UHFFFAOYSA-N 1 0 245.288 3.793 20 0 BHADRO CCCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000248250283 537816417 /nfs/dbraw/zinc/81/64/17/537816417.db2.gz IRMYVNPDOPBLAR-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000248253854 488195455 /nfs/dbraw/zinc/19/54/55/488195455.db2.gz TYJWCPOXFSLKCU-JTQLQIEISA-N 1 0 227.298 3.614 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000248253855 488195514 /nfs/dbraw/zinc/19/55/14/488195514.db2.gz TYJWCPOXFSLKCU-SNVBAGLBSA-N 1 0 227.298 3.614 20 0 BHADRO CC[N@H+](Cc1cccc(OC)c1)C1CCCCC1 ZINC000248266288 388675658 /nfs/dbraw/zinc/67/56/58/388675658.db2.gz SVAKDGPEYQCCMR-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)s1)CC(C)C ZINC000248268090 537817102 /nfs/dbraw/zinc/81/71/02/537817102.db2.gz UHOLZULTNWLASC-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CC(C)C ZINC000248268618 537817650 /nfs/dbraw/zinc/81/76/50/537817650.db2.gz YVVSQJIUGZVXTA-GFCCVEGCSA-N 1 0 223.385 3.713 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CC(C)C ZINC000248268619 537816225 /nfs/dbraw/zinc/81/62/25/537816225.db2.gz YVVSQJIUGZVXTA-LBPRGKRZSA-N 1 0 223.385 3.713 20 0 BHADRO CCCCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000248290466 388675152 /nfs/dbraw/zinc/67/51/52/388675152.db2.gz SIESSFJWSMODBL-UHFFFAOYSA-N 1 0 248.395 3.918 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000248297365 644673879 /nfs/dbraw/zinc/67/38/79/644673879.db2.gz ZKZFIWLRXQWWIP-YHQIDKOESA-N 1 0 234.170 3.570 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)[C@H]1C ZINC000248367784 359271333 /nfs/dbraw/zinc/27/13/33/359271333.db2.gz ULQIGZZNBLDDKH-MNOVXSKESA-N 1 0 246.379 3.527 20 0 BHADRO C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)[C@H]1C ZINC000248367785 359271301 /nfs/dbraw/zinc/27/13/01/359271301.db2.gz ULQIGZZNBLDDKH-QWRGUYRKSA-N 1 0 246.379 3.527 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000248374899 325602731 /nfs/dbraw/zinc/60/27/31/325602731.db2.gz UZOWWTNDHODOKJ-FICVDOATSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248375108 388677813 /nfs/dbraw/zinc/67/78/13/388677813.db2.gz VNRNLEKKSPSVBK-BBRMVZONSA-N 1 0 246.398 3.688 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248375109 388677621 /nfs/dbraw/zinc/67/76/21/388677621.db2.gz VNRNLEKKSPSVBK-CJNGLKHVSA-N 1 0 246.398 3.688 20 0 BHADRO CCC[C@H](C)[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000248385932 388677742 /nfs/dbraw/zinc/67/77/42/388677742.db2.gz KMLGQPNKIIFDSE-NWDGAFQWSA-N 1 0 225.401 3.800 20 0 BHADRO CCC[C@@H](C)[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000248385933 388677990 /nfs/dbraw/zinc/67/79/90/388677990.db2.gz KMLGQPNKIIFDSE-VXGBXAGGSA-N 1 0 225.401 3.800 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000248387843 135001428 /nfs/dbraw/zinc/00/14/28/135001428.db2.gz BZUAWHIWRWMNGC-MNOVXSKESA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000248387844 135001571 /nfs/dbraw/zinc/00/15/71/135001571.db2.gz BZUAWHIWRWMNGC-QWRGUYRKSA-N 1 0 239.309 3.855 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248390853 325605436 /nfs/dbraw/zinc/60/54/36/325605436.db2.gz IUDGVSMJPRLGJP-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248390855 325605532 /nfs/dbraw/zinc/60/55/32/325605532.db2.gz IUDGVSMJPRLGJP-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000248398667 535934989 /nfs/dbraw/zinc/93/49/89/535934989.db2.gz JDBGVHYJJOSJBL-BFJAYTPKSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccncc1 ZINC000248398668 535935502 /nfs/dbraw/zinc/93/55/02/535935502.db2.gz JDBGVHYJJOSJBL-LQKXBSAESA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccncc1 ZINC000248398669 535935083 /nfs/dbraw/zinc/93/50/83/535935083.db2.gz JDBGVHYJJOSJBL-LUYZLQTOSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000248406336 325606162 /nfs/dbraw/zinc/60/61/62/325606162.db2.gz BVWROVPIMDXIKS-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000248406338 388678399 /nfs/dbraw/zinc/67/83/99/388678399.db2.gz BVWROVPIMDXIKS-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000248411572 388678312 /nfs/dbraw/zinc/67/83/12/388678312.db2.gz DVEADIGMAJRWCE-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000248411573 388679001 /nfs/dbraw/zinc/67/90/01/388679001.db2.gz DVEADIGMAJRWCE-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000248413190 135006578 /nfs/dbraw/zinc/00/65/78/135006578.db2.gz KZKZGPBNDONJLZ-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000248413191 535607826 /nfs/dbraw/zinc/60/78/26/535607826.db2.gz KZKZGPBNDONJLZ-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO CO[C@@H](C)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000248439886 388680296 /nfs/dbraw/zinc/68/02/96/388680296.db2.gz UKSQXLDCUYGDGR-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000248439888 388679787 /nfs/dbraw/zinc/67/97/87/388679787.db2.gz UKSQXLDCUYGDGR-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+](C)CC[C@H](C)O)cc1 ZINC000248466760 388681651 /nfs/dbraw/zinc/68/16/51/388681651.db2.gz SNGCMSCUZHQIAK-KBPBESRZSA-N 1 0 249.398 3.574 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@@H+](C)CC[C@H](C)O)cc1 ZINC000248466761 388681228 /nfs/dbraw/zinc/68/12/28/388681228.db2.gz SNGCMSCUZHQIAK-UONOGXRCSA-N 1 0 249.398 3.574 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000248490826 388681967 /nfs/dbraw/zinc/68/19/67/388681967.db2.gz NOUSMHYHABZSGB-NEPJUHHUSA-N 1 0 240.416 3.615 20 0 BHADRO CCC[C@H](C)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000248490827 388682284 /nfs/dbraw/zinc/68/22/84/388682284.db2.gz NOUSMHYHABZSGB-RYUDHWBXSA-N 1 0 240.416 3.615 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1nc(C)cs1 ZINC000248522612 325611087 /nfs/dbraw/zinc/61/10/87/325611087.db2.gz SADWKASIQXOQCQ-JBLDHEPKSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1nc(C)cs1 ZINC000248522613 325610955 /nfs/dbraw/zinc/61/09/55/325610955.db2.gz SADWKASIQXOQCQ-NHCYSSNCSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(C)cc1 ZINC000248535110 135002427 /nfs/dbraw/zinc/00/24/27/135002427.db2.gz XLXRROCLSHAVID-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccc(C)cc1 ZINC000248535111 135002447 /nfs/dbraw/zinc/00/24/47/135002447.db2.gz XLXRROCLSHAVID-VNQPRFMTSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248535694 135002561 /nfs/dbraw/zinc/00/25/61/135002561.db2.gz YTEZCRNJVURKOK-CWRNSKLLSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248535696 135002711 /nfs/dbraw/zinc/00/27/11/135002711.db2.gz YTEZCRNJVURKOK-VNQPRFMTSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000248536061 535942824 /nfs/dbraw/zinc/94/28/24/535942824.db2.gz ZIRXRRPYPTZFBL-GVXVVHGQSA-N 1 0 221.344 3.681 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000248536062 135002683 /nfs/dbraw/zinc/00/26/83/135002683.db2.gz ZIRXRRPYPTZFBL-LOWVWBTDSA-N 1 0 221.344 3.681 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000248572512 388684282 /nfs/dbraw/zinc/68/42/82/388684282.db2.gz CXCKJNUKGNWHRS-FMKPAKJESA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000248572516 388684438 /nfs/dbraw/zinc/68/44/38/388684438.db2.gz CXCKJNUKGNWHRS-IIAWOOMASA-N 1 0 246.398 3.901 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000248573944 135020332 /nfs/dbraw/zinc/02/03/32/135020332.db2.gz SIXDNLQVWOQCKM-MLGOLLRUSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000248573947 135020802 /nfs/dbraw/zinc/02/08/02/135020802.db2.gz SIXDNLQVWOQCKM-WBMJQRKESA-N 1 0 246.398 3.709 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000248609012 135015525 /nfs/dbraw/zinc/01/55/25/135015525.db2.gz KLEGTGVJENHLEC-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000248609017 535608165 /nfs/dbraw/zinc/60/81/65/535608165.db2.gz KLEGTGVJENHLEC-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000248611950 388686385 /nfs/dbraw/zinc/68/63/85/388686385.db2.gz LBDOIVCFFHAEMR-KFWWJZLASA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000248611953 388686624 /nfs/dbraw/zinc/68/66/24/388686624.db2.gz LBDOIVCFFHAEMR-RBSFLKMASA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000248615944 135016678 /nfs/dbraw/zinc/01/66/78/135016678.db2.gz LWFBWSWGXQGPDL-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000248615945 535608421 /nfs/dbraw/zinc/60/84/21/535608421.db2.gz LWFBWSWGXQGPDL-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000248624898 323028492 /nfs/dbraw/zinc/02/84/92/323028492.db2.gz CVCRFGXZGQMXAA-GARJFASQSA-N 1 0 241.400 3.842 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000248624900 323028457 /nfs/dbraw/zinc/02/84/57/323028457.db2.gz CVCRFGXZGQMXAA-HBNTYKKESA-N 1 0 241.400 3.842 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000248625362 388687558 /nfs/dbraw/zinc/68/75/58/388687558.db2.gz NXYATFXHAJUWEQ-FMKPAKJESA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000248625366 388686535 /nfs/dbraw/zinc/68/65/35/388686535.db2.gz NXYATFXHAJUWEQ-IIAWOOMASA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000248644183 325615836 /nfs/dbraw/zinc/61/58/36/325615836.db2.gz RYFHUKZFPRKOAB-JBLDHEPKSA-N 1 0 240.416 3.579 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000248644186 388688735 /nfs/dbraw/zinc/68/87/35/388688735.db2.gz RYFHUKZFPRKOAB-NHCYSSNCSA-N 1 0 240.416 3.579 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000248692882 388689060 /nfs/dbraw/zinc/68/90/60/388689060.db2.gz BRFRNDGGSAGJAL-ILXRZTDVSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000248692888 325617866 /nfs/dbraw/zinc/61/78/66/325617866.db2.gz BRFRNDGGSAGJAL-QLFBSQMISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000248693836 325617922 /nfs/dbraw/zinc/61/79/22/325617922.db2.gz CERDWXRHHKKILN-CTASWTNQSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000248693840 325617826 /nfs/dbraw/zinc/61/78/26/325617826.db2.gz CERDWXRHHKKILN-KNCOVGOOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000248693844 325617882 /nfs/dbraw/zinc/61/78/82/325617882.db2.gz CERDWXRHHKKILN-MCIONIFRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000248697632 135019629 /nfs/dbraw/zinc/01/96/29/135019629.db2.gz DUBQWJWNQYOILX-OSAQELSMSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000248697633 135019844 /nfs/dbraw/zinc/01/98/44/135019844.db2.gz DUBQWJWNQYOILX-ZLDLUXBVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000248698515 135019260 /nfs/dbraw/zinc/01/92/60/135019260.db2.gz FHIKSARLMGWOPX-IPYPFGDCSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000248698517 135019415 /nfs/dbraw/zinc/01/94/15/135019415.db2.gz FHIKSARLMGWOPX-VNHYZAJKSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC000248704559 388689328 /nfs/dbraw/zinc/68/93/28/388689328.db2.gz HDTZFMZYZMHUGO-SNPRPXQTSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000248704561 388689147 /nfs/dbraw/zinc/68/91/47/388689147.db2.gz HDTZFMZYZMHUGO-VHDGCEQUSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000248709794 388690549 /nfs/dbraw/zinc/69/05/49/388690549.db2.gz ISLGCUZWRRBQAN-AOLWHUPESA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000248709798 325618219 /nfs/dbraw/zinc/61/82/19/325618219.db2.gz ISLGCUZWRRBQAN-OEYIWLLWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000248709801 388690424 /nfs/dbraw/zinc/69/04/24/388690424.db2.gz ISLGCUZWRRBQAN-ZGMNHVEMSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000248726197 388690498 /nfs/dbraw/zinc/69/04/98/388690498.db2.gz NBZBUGCYFYOOSB-BZPMIXESSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000248726203 325618410 /nfs/dbraw/zinc/61/84/10/325618410.db2.gz NBZBUGCYFYOOSB-CQJJVWNLSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000248726207 388690462 /nfs/dbraw/zinc/69/04/62/388690462.db2.gz NBZBUGCYFYOOSB-FIRUKDTASA-N 1 0 246.398 3.865 20 0 BHADRO C[C@@H](C[N@@H+]1CCSCC[C@@H]1C)c1ccccc1 ZINC000248741611 388692029 /nfs/dbraw/zinc/69/20/29/388692029.db2.gz AHFMWLODTDHYNN-KBPBESRZSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](C[N@@H+]1CCSCC[C@H]1C)c1ccccc1 ZINC000248741614 388691467 /nfs/dbraw/zinc/69/14/67/388691467.db2.gz AHFMWLODTDHYNN-UONOGXRCSA-N 1 0 249.423 3.618 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248743467 388691921 /nfs/dbraw/zinc/69/19/21/388691921.db2.gz FGGZYSVREXRVMG-CWRNSKLLSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248743471 388691857 /nfs/dbraw/zinc/69/18/57/388691857.db2.gz FGGZYSVREXRVMG-NUEKZKHPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000248746792 388692360 /nfs/dbraw/zinc/69/23/60/388692360.db2.gz SFHFRSVVDLSMES-HGTKMLMNSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000248746802 325619818 /nfs/dbraw/zinc/61/98/18/325619818.db2.gz SFHFRSVVDLSMES-KNCOVGOOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000248746813 325619903 /nfs/dbraw/zinc/61/99/03/325619903.db2.gz SFHFRSVVDLSMES-ORIJERBGSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H](CC[N@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000248753965 388693176 /nfs/dbraw/zinc/69/31/76/388693176.db2.gz CKCMQEPXTJLJHI-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](CC[N@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000248753967 388693274 /nfs/dbraw/zinc/69/32/74/388693274.db2.gz CKCMQEPXTJLJHI-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000248838770 644698996 /nfs/dbraw/zinc/69/89/96/644698996.db2.gz KQGXQIWKTJPYCD-JMSVASOKSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000248838773 644698462 /nfs/dbraw/zinc/69/84/62/644698462.db2.gz KQGXQIWKTJPYCD-XUJVJEKNSA-N 1 0 245.366 3.548 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000248845599 135023556 /nfs/dbraw/zinc/02/35/56/135023556.db2.gz AMTGSVJUDWWIPM-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000248845600 135024175 /nfs/dbraw/zinc/02/41/75/135024175.db2.gz AMTGSVJUDWWIPM-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000248889071 388697706 /nfs/dbraw/zinc/69/77/06/388697706.db2.gz FLECTBQCWRLSDO-HZPDHXFCSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000248889076 388697694 /nfs/dbraw/zinc/69/76/94/388697694.db2.gz FLECTBQCWRLSDO-JKSUJKDBSA-N 1 0 244.382 3.545 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)C[C@H]1CCCOC1 ZINC000248901444 388698602 /nfs/dbraw/zinc/69/86/02/388698602.db2.gz XCFMPLIAPCAIMS-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)C[C@H]1CCCOC1 ZINC000248901447 388698323 /nfs/dbraw/zinc/69/83/23/388698323.db2.gz XCFMPLIAPCAIMS-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1cncc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000248929397 388699420 /nfs/dbraw/zinc/69/94/20/388699420.db2.gz MFSCSJNAEHTPGJ-FVQBIDKESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cncc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000248929401 388700132 /nfs/dbraw/zinc/70/01/32/388700132.db2.gz MFSCSJNAEHTPGJ-KBMXLJTQSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cncc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000248930096 388700228 /nfs/dbraw/zinc/70/02/28/388700228.db2.gz MFSCSJNAEHTPGJ-VNQPRFMTSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CC[C@@H](C)O2)cc1 ZINC000248972419 135028805 /nfs/dbraw/zinc/02/88/05/135028805.db2.gz CXZRXRJNOUXPTP-IJEWVQPXSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CC[C@H](C)O2)cc1 ZINC000248972422 135028414 /nfs/dbraw/zinc/02/84/14/135028414.db2.gz CXZRXRJNOUXPTP-OFQRWUPVSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000248972426 135028420 /nfs/dbraw/zinc/02/84/20/135028420.db2.gz CXZRXRJNOUXPTP-YCPHGPKFSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000248980951 349158511 /nfs/dbraw/zinc/15/85/11/349158511.db2.gz VJBRLYXIJMMKPX-NIFZNCRKSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000248980952 537868092 /nfs/dbraw/zinc/86/80/92/537868092.db2.gz VJBRLYXIJMMKPX-RFGFWPKPSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000248980953 349158674 /nfs/dbraw/zinc/15/86/74/349158674.db2.gz VJBRLYXIJMMKPX-UXXRCYHCSA-N 1 0 239.403 3.501 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000248985733 325631078 /nfs/dbraw/zinc/63/10/78/325631078.db2.gz FBDZYKBWMAYJCO-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000248985736 325631171 /nfs/dbraw/zinc/63/11/71/325631171.db2.gz FBDZYKBWMAYJCO-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000248989464 384969653 /nfs/dbraw/zinc/96/96/53/384969653.db2.gz FNCYYIORGRKCMX-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000248989468 325631070 /nfs/dbraw/zinc/63/10/70/325631070.db2.gz FNCYYIORGRKCMX-RBSFLKMASA-N 1 0 247.382 3.522 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)c1 ZINC000248994595 135029306 /nfs/dbraw/zinc/02/93/06/135029306.db2.gz OMBJUYLPIYEDHE-CHWSQXEVSA-N 1 0 249.379 3.578 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2C[C@H]2CCC=CO2)c1 ZINC000248994598 135029593 /nfs/dbraw/zinc/02/95/93/135029593.db2.gz OMBJUYLPIYEDHE-OLZOCXBDSA-N 1 0 249.379 3.578 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccncc1 ZINC000248996225 388703278 /nfs/dbraw/zinc/70/32/78/388703278.db2.gz OYQSLSUXQAKLLG-SNPRPXQTSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccncc1 ZINC000248996229 388703729 /nfs/dbraw/zinc/70/37/29/388703729.db2.gz OYQSLSUXQAKLLG-VHDGCEQUSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC=CO2)cc1 ZINC000248996383 644707030 /nfs/dbraw/zinc/70/70/30/644707030.db2.gz PBOASEVTAFPFSG-GDBMZVCRSA-N 1 0 245.366 3.681 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC=CO2)cc1 ZINC000248996385 644705985 /nfs/dbraw/zinc/70/59/85/644705985.db2.gz PBOASEVTAFPFSG-GOEBONIOSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249005841 388703821 /nfs/dbraw/zinc/70/38/21/388703821.db2.gz IZHVPENILFDEGT-CHWSQXEVSA-N 1 0 235.396 3.575 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000249005844 388703408 /nfs/dbraw/zinc/70/34/08/388703408.db2.gz IZHVPENILFDEGT-QWHCGFSZSA-N 1 0 235.396 3.575 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000249017401 325632719 /nfs/dbraw/zinc/63/27/19/325632719.db2.gz JLWUTOBCRHIOJE-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000249017405 384975457 /nfs/dbraw/zinc/97/54/57/384975457.db2.gz JLWUTOBCRHIOJE-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000249030074 325633329 /nfs/dbraw/zinc/63/33/29/325633329.db2.gz SHVPKENICIUYEH-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000249030076 388704868 /nfs/dbraw/zinc/70/48/68/388704868.db2.gz SHVPKENICIUYEH-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249030078 388704248 /nfs/dbraw/zinc/70/42/48/388704248.db2.gz SHVPKENICIUYEH-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249030079 388704877 /nfs/dbraw/zinc/70/48/77/388704877.db2.gz SHVPKENICIUYEH-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC=CO2)cc1 ZINC000249036183 135031250 /nfs/dbraw/zinc/03/12/50/135031250.db2.gz SQMFKAKIGQOTHB-CVEARBPZSA-N 1 0 243.350 3.516 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)cc1 ZINC000249036186 135030381 /nfs/dbraw/zinc/03/03/81/135030381.db2.gz SQMFKAKIGQOTHB-HZPDHXFCSA-N 1 0 243.350 3.516 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000249040447 644710060 /nfs/dbraw/zinc/71/00/60/644710060.db2.gz UOUCQHYXPXMKFX-CVEARBPZSA-N 1 0 247.382 3.501 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000249040450 644709702 /nfs/dbraw/zinc/70/97/02/644709702.db2.gz UOUCQHYXPXMKFX-HZPDHXFCSA-N 1 0 247.382 3.501 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000249049983 388705671 /nfs/dbraw/zinc/70/56/71/388705671.db2.gz FVAQOFAEPKGLKN-LZWOXQAQSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000249049985 325634607 /nfs/dbraw/zinc/63/46/07/325634607.db2.gz FVAQOFAEPKGLKN-SQWLQELKSA-N 1 0 244.382 3.725 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000249060916 384975092 /nfs/dbraw/zinc/97/50/92/384975092.db2.gz ZWFKTALPAUWVHV-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000249060921 325635386 /nfs/dbraw/zinc/63/53/86/325635386.db2.gz ZWFKTALPAUWVHV-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)C1CCCCC1 ZINC000249060924 325635164 /nfs/dbraw/zinc/63/51/64/325635164.db2.gz POBBXGATZLKXGX-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)C1CCCCC1 ZINC000249060928 388706893 /nfs/dbraw/zinc/70/68/93/388706893.db2.gz POBBXGATZLKXGX-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c1C ZINC000249063773 388707261 /nfs/dbraw/zinc/70/72/61/388707261.db2.gz JWZDBJKHXBJJRD-SNPRPXQTSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c1C ZINC000249063776 325635380 /nfs/dbraw/zinc/63/53/80/325635380.db2.gz JWZDBJKHXBJJRD-VHDGCEQUSA-N 1 0 247.382 3.522 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H]1CCOC[C@H]1C ZINC000249095083 388708074 /nfs/dbraw/zinc/70/80/74/388708074.db2.gz LPJTUWLNVIFZRO-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000249095085 388708598 /nfs/dbraw/zinc/70/85/98/388708598.db2.gz LPJTUWLNVIFZRO-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000249100746 325637635 /nfs/dbraw/zinc/63/76/35/325637635.db2.gz WGSINKZYONPBIF-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000249101609 388709491 /nfs/dbraw/zinc/70/94/91/388709491.db2.gz WGSINKZYONPBIF-RBSFLKMASA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000249101612 325637486 /nfs/dbraw/zinc/63/74/86/325637486.db2.gz WGSINKZYONPBIF-RRFJBIMHSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000249101615 325637429 /nfs/dbraw/zinc/63/74/29/325637429.db2.gz WGSINKZYONPBIF-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000249101672 325637637 /nfs/dbraw/zinc/63/76/37/325637637.db2.gz PQIGBLXIYCACOK-RRFJBIMHSA-N 1 0 244.382 3.725 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000249101674 388709713 /nfs/dbraw/zinc/70/97/13/388709713.db2.gz PQIGBLXIYCACOK-ZNMIVQPWSA-N 1 0 244.382 3.725 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000249109725 388709305 /nfs/dbraw/zinc/70/93/05/388709305.db2.gz XSZFHXRJPKVQKD-OAGGEKHMSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000249109726 388709428 /nfs/dbraw/zinc/70/94/28/388709428.db2.gz XSZFHXRJPKVQKD-XHSDSOJGSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H](C[N@@H+]1CCS[C@@H](C)CC1)c1ccccc1 ZINC000249115365 388709648 /nfs/dbraw/zinc/70/96/48/388709648.db2.gz WHEOKPDVQDACCB-KBPBESRZSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](C[N@@H+]1CCS[C@H](C)CC1)c1ccccc1 ZINC000249115366 388709025 /nfs/dbraw/zinc/70/90/25/388709025.db2.gz WHEOKPDVQDACCB-UONOGXRCSA-N 1 0 249.423 3.618 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000249153878 388710889 /nfs/dbraw/zinc/71/08/89/388710889.db2.gz YHBVREHRGXJZFK-IJEWVQPXSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000249153880 388710355 /nfs/dbraw/zinc/71/03/55/388710355.db2.gz YHBVREHRGXJZFK-YCPHGPKFSA-N 1 0 247.382 3.522 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000249177519 325639873 /nfs/dbraw/zinc/63/98/73/325639873.db2.gz GAWORJFQNVFGQK-GRYCIOLGSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000249177521 388711937 /nfs/dbraw/zinc/71/19/37/388711937.db2.gz GAWORJFQNVFGQK-IJLUTSLNSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC000249177522 388711230 /nfs/dbraw/zinc/71/12/30/388711230.db2.gz GAWORJFQNVFGQK-UTUOFQBUSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2C=CCCC2)C1 ZINC000249177524 388711698 /nfs/dbraw/zinc/71/16/98/388711698.db2.gz GAWORJFQNVFGQK-WOPDTQHZSA-N 1 0 247.304 3.806 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c(C)n1 ZINC000249291968 388715415 /nfs/dbraw/zinc/71/54/15/388715415.db2.gz ANQANWWLHKQDHY-MLGOLLRUSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)c(C)n1 ZINC000249291970 388715389 /nfs/dbraw/zinc/71/53/89/388715389.db2.gz ANQANWWLHKQDHY-WBMJQRKESA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CC[C@H]2CCCO2)cc1 ZINC000249299349 388716738 /nfs/dbraw/zinc/71/67/38/388716738.db2.gz NJKHJDWBPRNJPW-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CC[C@H]2CCCO2)cc1 ZINC000249299350 388717190 /nfs/dbraw/zinc/71/71/90/388717190.db2.gz NJKHJDWBPRNJPW-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000249332444 135036909 /nfs/dbraw/zinc/03/69/09/135036909.db2.gz XGZSOQKRHPOILA-MVWJERBFSA-N 1 0 209.333 3.673 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000249332445 535942989 /nfs/dbraw/zinc/94/29/89/535942989.db2.gz XGZSOQKRHPOILA-ZMLRMANQSA-N 1 0 209.333 3.673 20 0 BHADRO CC[N@H+](CCc1cccnc1)[C@@H]1CCCC[C@H]1C ZINC000249364702 135036845 /nfs/dbraw/zinc/03/68/45/135036845.db2.gz MGAMUFUZUAMJII-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1cccnc1)[C@H]1CCCC[C@H]1C ZINC000249364705 135037113 /nfs/dbraw/zinc/03/71/13/135037113.db2.gz MGAMUFUZUAMJII-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](Cc1nccs1)[C@H]1CCCC[C@H]1C ZINC000249377847 388719211 /nfs/dbraw/zinc/71/92/11/388719211.db2.gz OMFJGNDIVKJWHF-NEPJUHHUSA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1nccs1)[C@@H]1CCCC[C@H]1C ZINC000249377850 388719944 /nfs/dbraw/zinc/71/99/44/388719944.db2.gz OMFJGNDIVKJWHF-VXGBXAGGSA-N 1 0 238.400 3.544 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249409756 388720221 /nfs/dbraw/zinc/72/02/21/388720221.db2.gz XQGQJKWQXWSIJL-NWDGAFQWSA-N 1 0 238.400 3.511 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249409760 388720456 /nfs/dbraw/zinc/72/04/56/388720456.db2.gz XQGQJKWQXWSIJL-VXGBXAGGSA-N 1 0 238.400 3.511 20 0 BHADRO CC[N@H+](CCCCCOC)[C@H]1CCCC[C@H]1C ZINC000249424041 388720398 /nfs/dbraw/zinc/72/03/98/388720398.db2.gz XOPRIIQESSBCOQ-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](CCCCCOC)[C@@H]1CCCC[C@H]1C ZINC000249424044 388720790 /nfs/dbraw/zinc/72/07/90/388720790.db2.gz XOPRIIQESSBCOQ-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249427119 135038576 /nfs/dbraw/zinc/03/85/76/135038576.db2.gz GBYYECZWNGSNND-GWCFXTLKSA-N 1 0 238.400 3.635 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249427123 535513329 /nfs/dbraw/zinc/51/33/29/535513329.db2.gz GBYYECZWNGSNND-MFKMUULPSA-N 1 0 238.400 3.635 20 0 BHADRO Cc1nc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cs1 ZINC000249461621 135040410 /nfs/dbraw/zinc/04/04/10/135040410.db2.gz PCDVUENTALUAMY-OCCSQVGLSA-N 1 0 248.395 3.697 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cs1 ZINC000249461625 135040096 /nfs/dbraw/zinc/04/00/96/135040096.db2.gz PCDVUENTALUAMY-TZMCWYRMSA-N 1 0 248.395 3.697 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(O)c1 ZINC000249514763 388725365 /nfs/dbraw/zinc/72/53/65/388725365.db2.gz QAEVNVNVIBSKLX-OBJOEFQTSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(O)c1 ZINC000249514764 325653098 /nfs/dbraw/zinc/65/30/98/325653098.db2.gz QAEVNVNVIBSKLX-YRGRVCCFSA-N 1 0 233.355 3.622 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000249614895 135042100 /nfs/dbraw/zinc/04/21/00/135042100.db2.gz SQLOYMBRBNAASL-IVZWLZJFSA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000249614896 535943228 /nfs/dbraw/zinc/94/32/28/535943228.db2.gz SQLOYMBRBNAASL-LPEHRKFASA-N 1 0 240.416 3.845 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249785040 535006401 /nfs/dbraw/zinc/00/64/01/535006401.db2.gz DJBUGMRQYSQCHE-BYNSBNAKSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249785043 535006188 /nfs/dbraw/zinc/00/61/88/535006188.db2.gz DJBUGMRQYSQCHE-XQLPTFJDSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249785047 535006371 /nfs/dbraw/zinc/00/63/71/535006371.db2.gz DJBUGMRQYSQCHE-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000249811247 644741904 /nfs/dbraw/zinc/74/19/04/644741904.db2.gz CDIZKMSJPJGBNH-HZSPNIEDSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000249811252 644742417 /nfs/dbraw/zinc/74/24/17/644742417.db2.gz CDIZKMSJPJGBNH-MELADBBJSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000249880273 325661208 /nfs/dbraw/zinc/66/12/08/325661208.db2.gz HNUVMWIRMVDKJZ-RWMBFGLXSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000249880281 325661294 /nfs/dbraw/zinc/66/12/94/325661294.db2.gz HNUVMWIRMVDKJZ-YNEHKIRRSA-N 1 0 243.460 3.932 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000249889759 135047854 /nfs/dbraw/zinc/04/78/54/135047854.db2.gz AFLLYOCKJVMGNC-HRCADAONSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000249889766 135047186 /nfs/dbraw/zinc/04/71/86/135047186.db2.gz AFLLYOCKJVMGNC-OWCLPIDISA-N 1 0 244.382 3.530 20 0 BHADRO CCCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000249947075 362609274 /nfs/dbraw/zinc/60/92/74/362609274.db2.gz ZTXBJDHDJRKDKW-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000249947081 362609056 /nfs/dbraw/zinc/60/90/56/362609056.db2.gz ZTXBJDHDJRKDKW-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249962431 388735795 /nfs/dbraw/zinc/73/57/95/388735795.db2.gz JUUGEQPJBIVQMQ-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249963732 388735351 /nfs/dbraw/zinc/73/53/51/388735351.db2.gz JUUGEQPJBIVQMQ-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000250062451 363273870 /nfs/dbraw/zinc/27/38/70/363273870.db2.gz NDKRNJMGLAHTJM-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000250062457 324204393 /nfs/dbraw/zinc/20/43/93/324204393.db2.gz NDKRNJMGLAHTJM-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)C1CCSCC1 ZINC000250065837 324204419 /nfs/dbraw/zinc/20/44/19/324204419.db2.gz NNDDJZTXNNAQOI-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CCSCC1 ZINC000250065840 324204267 /nfs/dbraw/zinc/20/42/67/324204267.db2.gz NNDDJZTXNNAQOI-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250072471 324204297 /nfs/dbraw/zinc/20/42/97/324204297.db2.gz BRKMWHKPIJWKKM-HZSPNIEDSA-N 1 0 233.355 3.728 20 0 BHADRO c1coc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000250072481 324204091 /nfs/dbraw/zinc/20/40/91/324204091.db2.gz BRKMWHKPIJWKKM-MELADBBJSA-N 1 0 233.355 3.728 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250093757 644746821 /nfs/dbraw/zinc/74/68/21/644746821.db2.gz RCPBTYLEKZIQDX-QLFBSQMISA-N 1 0 247.382 3.771 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000250093765 644746839 /nfs/dbraw/zinc/74/68/39/644746839.db2.gz RCPBTYLEKZIQDX-SOUVJXGZSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CCSCC1 ZINC000250118709 388783168 /nfs/dbraw/zinc/78/31/68/388783168.db2.gz UUWBPHRBVKULAI-OBJOEFQTSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CCSCC1 ZINC000250118712 388783359 /nfs/dbraw/zinc/78/33/59/388783359.db2.gz UUWBPHRBVKULAI-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccnc1 ZINC000250123975 388783371 /nfs/dbraw/zinc/78/33/71/388783371.db2.gz JNTJGAFDUNBXNZ-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccnc1 ZINC000250123980 388783554 /nfs/dbraw/zinc/78/35/54/388783554.db2.gz JNTJGAFDUNBXNZ-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccn1 ZINC000250179617 135050079 /nfs/dbraw/zinc/05/00/79/135050079.db2.gz PYQLVFSTPQXVAI-HRCADAONSA-N 1 0 244.382 3.530 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)ccn1 ZINC000250179619 135050253 /nfs/dbraw/zinc/05/02/53/135050253.db2.gz PYQLVFSTPQXVAI-OWCLPIDISA-N 1 0 244.382 3.530 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000250204913 388785647 /nfs/dbraw/zinc/78/56/47/388785647.db2.gz QDRBTRTWGNQTDX-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000250204918 388786529 /nfs/dbraw/zinc/78/65/29/388786529.db2.gz QDRBTRTWGNQTDX-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000250303525 259639982 /nfs/dbraw/zinc/63/99/82/259639982.db2.gz YYHMRGLHGXBWKN-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H]2CCCCC[C@H]2C)cn1 ZINC000250343800 537920335 /nfs/dbraw/zinc/92/03/35/537920335.db2.gz NSZCCMVQXPHACZ-IPYPFGDCSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2C)cn1 ZINC000250343804 537921056 /nfs/dbraw/zinc/92/10/56/537921056.db2.gz NSZCCMVQXPHACZ-VNHYZAJKSA-N 1 0 249.402 3.522 20 0 BHADRO C[N@H+]([C@H]1CCc2ccccc21)[C@H]1C=CCCC1 ZINC000250381096 369518751 /nfs/dbraw/zinc/51/87/51/369518751.db2.gz JGHAETURACUPES-HOCLYGCPSA-N 1 0 227.351 3.714 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000250427682 388790442 /nfs/dbraw/zinc/79/04/42/388790442.db2.gz GXBFXONJUFKPET-GARJFASQSA-N 1 0 211.374 3.833 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000250427687 388790792 /nfs/dbraw/zinc/79/07/92/388790792.db2.gz GXBFXONJUFKPET-HBNTYKKESA-N 1 0 211.374 3.833 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000250521592 384909933 /nfs/dbraw/zinc/90/99/33/384909933.db2.gz QABDBEBBFRSMED-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000250521601 384909819 /nfs/dbraw/zinc/90/98/19/384909819.db2.gz QABDBEBBFRSMED-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000250526494 325665816 /nfs/dbraw/zinc/66/58/16/325665816.db2.gz XOAJMRAMQSGXAA-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000250526499 325665838 /nfs/dbraw/zinc/66/58/38/325665838.db2.gz XOAJMRAMQSGXAA-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250588796 384909176 /nfs/dbraw/zinc/90/91/76/384909176.db2.gz ZGQVVFAGYKTJMC-HZSPNIEDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250588798 384908609 /nfs/dbraw/zinc/90/86/09/384908609.db2.gz ZGQVVFAGYKTJMC-MELADBBJSA-N 1 0 209.377 3.591 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000250634715 541438766 /nfs/dbraw/zinc/43/87/66/541438766.db2.gz PNNQYSRRXBRUGL-DVOMOZLQSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000250634717 541438895 /nfs/dbraw/zinc/43/88/95/541438895.db2.gz PNNQYSRRXBRUGL-WWGRRREGSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250689727 322870524 /nfs/dbraw/zinc/87/05/24/322870524.db2.gz ITXSNHOCPOHIAW-HZSPNIEDSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250689733 322870536 /nfs/dbraw/zinc/87/05/36/322870536.db2.gz ITXSNHOCPOHIAW-MELADBBJSA-N 1 0 223.404 3.981 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250795930 644780312 /nfs/dbraw/zinc/78/03/12/644780312.db2.gz ASHQKCMKWWONRB-FQUUOJAGSA-N 1 0 227.392 3.501 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250795932 644780627 /nfs/dbraw/zinc/78/06/27/644780627.db2.gz ASHQKCMKWWONRB-YIYPIFLZSA-N 1 0 227.392 3.501 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000250798990 644780363 /nfs/dbraw/zinc/78/03/63/644780363.db2.gz BYRJVBAKBXQQHP-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1OC ZINC000250798991 644780783 /nfs/dbraw/zinc/78/07/83/644780783.db2.gz BYRJVBAKBXQQHP-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250830469 644782652 /nfs/dbraw/zinc/78/26/52/644782652.db2.gz QSFHSANDXXUDBB-APIJFGDWSA-N 1 0 241.419 3.891 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250830470 644782802 /nfs/dbraw/zinc/78/28/02/644782802.db2.gz QSFHSANDXXUDBB-XQLPTFJDSA-N 1 0 241.419 3.891 20 0 BHADRO C1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000250834874 644781963 /nfs/dbraw/zinc/78/19/63/644781963.db2.gz KNIWJBSLJLZLFP-VNHYZAJKSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250869348 388741637 /nfs/dbraw/zinc/74/16/37/388741637.db2.gz JKXYYRFXVNAPEZ-PJXYFTJBSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000250870210 325670200 /nfs/dbraw/zinc/67/02/00/325670200.db2.gz JRVPXJOKBRXZNR-CYZMBNFOSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000250870215 325670225 /nfs/dbraw/zinc/67/02/25/325670225.db2.gz JRVPXJOKBRXZNR-RAIGVLPGSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000250883971 388741540 /nfs/dbraw/zinc/74/15/40/388741540.db2.gz XZPJQRVVXAXABG-ADEWGFFLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000250883974 388741133 /nfs/dbraw/zinc/74/11/33/388741133.db2.gz XZPJQRVVXAXABG-USWWRNFRSA-N 1 0 223.385 3.896 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250939986 644787029 /nfs/dbraw/zinc/78/70/29/644787029.db2.gz ZDKVVSUCWXFHQV-GRYCIOLGSA-N 1 0 249.320 3.887 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250945040 644787634 /nfs/dbraw/zinc/78/76/34/644787634.db2.gz LQFKXBYQAJBFGX-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250945042 644786884 /nfs/dbraw/zinc/78/68/84/644786884.db2.gz LQFKXBYQAJBFGX-MELADBBJSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000250948751 135061435 /nfs/dbraw/zinc/06/14/35/135061435.db2.gz CFHZVYFPDXCXTC-QRTLGDNMSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)s1 ZINC000250948755 135061457 /nfs/dbraw/zinc/06/14/57/135061457.db2.gz CFHZVYFPDXCXTC-UBHAPETDSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250980421 179323715 /nfs/dbraw/zinc/32/37/15/179323715.db2.gz GISXEVWXZKVEGN-LXTVHRRPSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250980423 385613324 /nfs/dbraw/zinc/61/33/24/385613324.db2.gz GISXEVWXZKVEGN-XGUBFFRZSA-N 1 0 247.382 3.602 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000251020870 388743657 /nfs/dbraw/zinc/74/36/57/388743657.db2.gz SHONMNLMONDAPB-IPYPFGDCSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000251020871 388743637 /nfs/dbraw/zinc/74/36/37/388743637.db2.gz SHONMNLMONDAPB-VNHYZAJKSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(C)cc1 ZINC000251033951 322871162 /nfs/dbraw/zinc/87/11/62/322871162.db2.gz AYOCOAQTHPPGCJ-ARFHVFGLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1OC)c1ccc(C)cc1 ZINC000251033953 635703176 /nfs/dbraw/zinc/70/31/76/635703176.db2.gz AYOCOAQTHPPGCJ-HRCADAONSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000251055641 388744644 /nfs/dbraw/zinc/74/46/44/388744644.db2.gz ATVKHASKSCCFEU-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000251055643 644791430 /nfs/dbraw/zinc/79/14/30/644791430.db2.gz ATVKHASKSCCFEU-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251072775 325673879 /nfs/dbraw/zinc/67/38/79/325673879.db2.gz KAPBXORPRYVNIN-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251072778 325673665 /nfs/dbraw/zinc/67/36/65/325673665.db2.gz KAPBXORPRYVNIN-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(C)o1 ZINC000251092210 178254420 /nfs/dbraw/zinc/25/44/20/178254420.db2.gz XSSSPVWUGZLMGY-OLUVUFQESA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(C)o1 ZINC000251092216 178258481 /nfs/dbraw/zinc/25/84/81/178258481.db2.gz XSSSPVWUGZLMGY-PUYPPJJSSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000251094654 535945655 /nfs/dbraw/zinc/94/56/55/535945655.db2.gz PNKHUHQGKHSNFK-KCXAZCMYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000251094661 535935158 /nfs/dbraw/zinc/93/51/58/535935158.db2.gz PNKHUHQGKHSNFK-UHOFOFEASA-N 1 0 247.382 3.925 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000251137476 384912503 /nfs/dbraw/zinc/91/25/03/384912503.db2.gz BCTMYRXNUYXLDF-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000251141524 325674806 /nfs/dbraw/zinc/67/48/06/325674806.db2.gz CWUQCZFOCYQKJU-HZSPNIEDSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000251141526 388746142 /nfs/dbraw/zinc/74/61/42/388746142.db2.gz CWUQCZFOCYQKJU-RDBSUJKOSA-N 1 0 249.423 3.848 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1C ZINC000251150052 387184811 /nfs/dbraw/zinc/18/48/11/387184811.db2.gz HZVDFMXHOKRQNQ-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1F ZINC000251160184 325675072 /nfs/dbraw/zinc/67/50/72/325675072.db2.gz QNNRGNOBZMMJAS-TYNCELHUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1F ZINC000251160188 388746177 /nfs/dbraw/zinc/74/61/77/388746177.db2.gz QNNRGNOBZMMJAS-XUJVJEKNSA-N 1 0 235.346 3.973 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000251161686 322870759 /nfs/dbraw/zinc/87/07/59/322870759.db2.gz LIHMCIHAZDHKDL-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251163728 384910438 /nfs/dbraw/zinc/91/04/38/384910438.db2.gz CPHAIQYZUFHEKD-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251163732 384910401 /nfs/dbraw/zinc/91/04/01/384910401.db2.gz CPHAIQYZUFHEKD-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000251171070 325675083 /nfs/dbraw/zinc/67/50/83/325675083.db2.gz QOTHULQUQSSUKJ-IPYPFGDCSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000251171074 325675040 /nfs/dbraw/zinc/67/50/40/325675040.db2.gz QOTHULQUQSSUKJ-VNHYZAJKSA-N 1 0 247.382 3.843 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC000251171598 397988675 /nfs/dbraw/zinc/98/86/75/397988675.db2.gz PVIGKRJNAYQLRS-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@H]1OC)c1ccccc1 ZINC000251171599 644795425 /nfs/dbraw/zinc/79/54/25/644795425.db2.gz PVIGKRJNAYQLRS-HRCADAONSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000251172737 388746188 /nfs/dbraw/zinc/74/61/88/388746188.db2.gz OZXYJEPSXCIMNZ-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000251172738 325675075 /nfs/dbraw/zinc/67/50/75/325675075.db2.gz OZXYJEPSXCIMNZ-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000251173450 325675081 /nfs/dbraw/zinc/67/50/81/325675081.db2.gz QQNCWTOAYRFPFS-IJEWVQPXSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000251173452 388745790 /nfs/dbraw/zinc/74/57/90/388745790.db2.gz QQNCWTOAYRFPFS-YCPHGPKFSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c(C)c1 ZINC000251184168 388745922 /nfs/dbraw/zinc/74/59/22/388745922.db2.gz XMVDIONYKHTJBV-HZSPNIEDSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c(C)c1 ZINC000251184176 325675061 /nfs/dbraw/zinc/67/50/61/325675061.db2.gz XMVDIONYKHTJBV-RDBSUJKOSA-N 1 0 249.423 3.848 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccs1 ZINC000251188349 171540968 /nfs/dbraw/zinc/54/09/68/171540968.db2.gz DWWSVJJAMJQXBN-GRYCIOLGSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccs1 ZINC000251188353 171548468 /nfs/dbraw/zinc/54/84/68/171548468.db2.gz DWWSVJJAMJQXBN-WOPDTQHZSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000251189327 359299145 /nfs/dbraw/zinc/29/91/45/359299145.db2.gz FABARSIVWGEFGH-OCVGTWLNSA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000251189331 387186042 /nfs/dbraw/zinc/18/60/42/387186042.db2.gz FABARSIVWGEFGH-XRGAULLZSA-N 1 0 247.382 3.683 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000251195730 538037262 /nfs/dbraw/zinc/03/72/62/538037262.db2.gz UCZPARMLAFJKAR-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000251195735 538037310 /nfs/dbraw/zinc/03/73/10/538037310.db2.gz UCZPARMLAFJKAR-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000251209040 135066072 /nfs/dbraw/zinc/06/60/72/135066072.db2.gz BRRAADDTZCJNFT-YABSGUDNSA-N 1 0 221.344 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000251214583 583978075 /nfs/dbraw/zinc/97/80/75/583978075.db2.gz YDCFXHPMZBNQIX-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000251214585 583978124 /nfs/dbraw/zinc/97/81/24/583978124.db2.gz YDCFXHPMZBNQIX-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1OC ZINC000251221883 644798378 /nfs/dbraw/zinc/79/83/78/644798378.db2.gz JEYMZXGYCRKUTB-SNPRPXQTSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1OC ZINC000251221890 644798277 /nfs/dbraw/zinc/79/82/77/644798277.db2.gz JEYMZXGYCRKUTB-VHDGCEQUSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000251232858 135067199 /nfs/dbraw/zinc/06/71/99/135067199.db2.gz NCHSYOLKYCCWDO-PJXYFTJBSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)s1 ZINC000251236407 325675195 /nfs/dbraw/zinc/67/51/95/325675195.db2.gz OMSIZZLMQJAAEO-ADEWGFFLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000251236409 325675186 /nfs/dbraw/zinc/67/51/86/325675186.db2.gz OMSIZZLMQJAAEO-USWWRNFRSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000251241526 322901158 /nfs/dbraw/zinc/90/11/58/322901158.db2.gz QFSYDSYJKICZCH-PJXYFTJBSA-N 1 0 237.412 3.971 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000251244461 322871338 /nfs/dbraw/zinc/87/13/38/322871338.db2.gz JFDOKUTULJYZDQ-BNOWGMLFSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000251244466 384914489 /nfs/dbraw/zinc/91/44/89/384914489.db2.gz JFDOKUTULJYZDQ-XBFCOCLRSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000251248233 535949063 /nfs/dbraw/zinc/94/90/63/535949063.db2.gz MNAITDDVPAZUEH-BNOWGMLFSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000251248239 135067310 /nfs/dbraw/zinc/06/73/10/135067310.db2.gz MNAITDDVPAZUEH-XBFCOCLRSA-N 1 0 235.396 3.621 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)s1 ZINC000251251343 384914640 /nfs/dbraw/zinc/91/46/40/384914640.db2.gz TYRKUTBWLBIIDR-YABSGUDNSA-N 1 0 237.412 3.971 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251254459 323140649 /nfs/dbraw/zinc/14/06/49/323140649.db2.gz CBJANFNHGUWHQQ-MDZLAQPJSA-N 1 0 221.344 3.681 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251254464 388746478 /nfs/dbraw/zinc/74/64/78/388746478.db2.gz CBJANFNHGUWHQQ-NTZNESFSSA-N 1 0 221.344 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)s1 ZINC000251254784 388746711 /nfs/dbraw/zinc/74/67/11/388746711.db2.gz VECLFLQEKAYTHL-JTNHKYCSSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)s1 ZINC000251254792 323140587 /nfs/dbraw/zinc/14/05/87/323140587.db2.gz VECLFLQEKAYTHL-MISXGVKJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)s1 ZINC000251255091 135067357 /nfs/dbraw/zinc/06/73/57/135067357.db2.gz VLPKYHOKGVRUQU-OUAUKWLOSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)s1 ZINC000251255096 135067396 /nfs/dbraw/zinc/06/73/96/135067396.db2.gz VLPKYHOKGVRUQU-VWYCJHECSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000251255769 644799337 /nfs/dbraw/zinc/79/93/37/644799337.db2.gz DCTRMBZIMOUOAK-IJEWVQPXSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000251255775 644798451 /nfs/dbraw/zinc/79/84/51/644798451.db2.gz DCTRMBZIMOUOAK-YCPHGPKFSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000251258016 135066950 /nfs/dbraw/zinc/06/69/50/135066950.db2.gz WFOVPESDVLNBOF-JTNHKYCSSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000251258018 135066945 /nfs/dbraw/zinc/06/69/45/135066945.db2.gz WFOVPESDVLNBOF-MISXGVKJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000251265770 388746418 /nfs/dbraw/zinc/74/64/18/388746418.db2.gz YVOAFSPSFURVBF-SUNKGSAMSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)s1 ZINC000251265775 325675646 /nfs/dbraw/zinc/67/56/46/325675646.db2.gz YVOAFSPSFURVBF-UHIISALHSA-N 1 0 237.412 3.766 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000251282986 325675628 /nfs/dbraw/zinc/67/56/28/325675628.db2.gz DSCHWUPXZHRVGJ-IHRRRGAJSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000251282990 325675577 /nfs/dbraw/zinc/67/55/77/325675577.db2.gz DSCHWUPXZHRVGJ-MELADBBJSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000251290398 385620991 /nfs/dbraw/zinc/62/09/91/385620991.db2.gz VPUPTLSKOIGXTF-FQLMCAECSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000251290403 385622083 /nfs/dbraw/zinc/62/20/83/385622083.db2.gz VPUPTLSKOIGXTF-HLPPOEQASA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000251299222 535945948 /nfs/dbraw/zinc/94/59/48/535945948.db2.gz SWOKKVPZLSOLDZ-SNPRPXQTSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000251299226 535934905 /nfs/dbraw/zinc/93/49/05/535934905.db2.gz SWOKKVPZLSOLDZ-VHDGCEQUSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)C1CC1 ZINC000251308043 566432268 /nfs/dbraw/zinc/43/22/68/566432268.db2.gz DCBXLPDLUCTZEC-KWCYVHTRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1C)C1CC1 ZINC000251308046 566431983 /nfs/dbraw/zinc/43/19/83/566431983.db2.gz DCBXLPDLUCTZEC-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccs1 ZINC000251314959 135068071 /nfs/dbraw/zinc/06/80/71/135068071.db2.gz VVYGUOPDYLMZRW-MXWKQRLJSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccs1 ZINC000251314968 135068104 /nfs/dbraw/zinc/06/81/04/135068104.db2.gz VVYGUOPDYLMZRW-VWYCJHECSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccccc1 ZINC000251316239 535934071 /nfs/dbraw/zinc/93/40/71/535934071.db2.gz WBUFBJOPNXHTKK-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1OC)c1ccccc1 ZINC000251316242 135068021 /nfs/dbraw/zinc/06/80/21/135068021.db2.gz WBUFBJOPNXHTKK-HRCADAONSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000251328121 388746508 /nfs/dbraw/zinc/74/65/08/388746508.db2.gz NRENCARSKIDBRO-HZSPNIEDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000251328124 388746752 /nfs/dbraw/zinc/74/67/52/388746752.db2.gz NRENCARSKIDBRO-RDBSUJKOSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000251330805 325676006 /nfs/dbraw/zinc/67/60/06/325676006.db2.gz OFUWAHLBCTUJND-KWCYVHTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000251330810 325676063 /nfs/dbraw/zinc/67/60/63/325676063.db2.gz OFUWAHLBCTUJND-XBFCOCLRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000251335289 325675980 /nfs/dbraw/zinc/67/59/80/325675980.db2.gz JKVLLAKAFIVSRE-MHDGFBEUSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000251335291 388747555 /nfs/dbraw/zinc/74/75/55/388747555.db2.gz JKVLLAKAFIVSRE-UZGDPCLZSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CC1 ZINC000251348500 325675989 /nfs/dbraw/zinc/67/59/89/325675989.db2.gz LZFQEFQCIKCVLC-BNOWGMLFSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000251348502 325675908 /nfs/dbraw/zinc/67/59/08/325675908.db2.gz LZFQEFQCIKCVLC-XBFCOCLRSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000251354524 325676291 /nfs/dbraw/zinc/67/62/91/325676291.db2.gz NPUCUEYNTFBXBS-UNJBNNCHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000251354526 325676301 /nfs/dbraw/zinc/67/63/01/325676301.db2.gz NPUCUEYNTFBXBS-UVLXDEKHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C1CC1 ZINC000251364269 388747350 /nfs/dbraw/zinc/74/73/50/388747350.db2.gz PNSNWTMDPZFQIF-OXHZDVMGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C1CC1 ZINC000251364271 325676393 /nfs/dbraw/zinc/67/63/93/325676393.db2.gz PNSNWTMDPZFQIF-VTPLQMEGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251379374 322871331 /nfs/dbraw/zinc/87/13/31/322871331.db2.gz SORBAKHYAKUVFB-REWJHTLYSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000251379376 384914667 /nfs/dbraw/zinc/91/46/67/384914667.db2.gz SORBAKHYAKUVFB-RFQIPJPRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251379379 384914937 /nfs/dbraw/zinc/91/49/37/384914937.db2.gz SORBAKHYAKUVFB-XDQVBPFNSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C1CC1 ZINC000251383142 388747030 /nfs/dbraw/zinc/74/70/30/388747030.db2.gz UBUTXGOOODWYKP-MHDGFBEUSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C1CC1 ZINC000251383144 325676541 /nfs/dbraw/zinc/67/65/41/325676541.db2.gz UBUTXGOOODWYKP-UZGDPCLZSA-N 1 0 209.377 3.589 20 0 BHADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC)C12CCCCC2 ZINC000251389025 388747254 /nfs/dbraw/zinc/74/72/54/388747254.db2.gz VVWAXKYWFKVTAT-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC)C12CCCCC2 ZINC000251389028 325676629 /nfs/dbraw/zinc/67/66/29/325676629.db2.gz VVWAXKYWFKVTAT-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000251415292 349187664 /nfs/dbraw/zinc/18/76/64/349187664.db2.gz XTLAJZQTTHOIGC-LXTVHRRPSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000251415295 349187462 /nfs/dbraw/zinc/18/74/62/349187462.db2.gz XTLAJZQTTHOIGC-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000251451189 538047356 /nfs/dbraw/zinc/04/73/56/538047356.db2.gz XDFKLXFUUHHGIS-QLFBSQMISA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000251451193 537977760 /nfs/dbraw/zinc/97/77/60/537977760.db2.gz XDFKLXFUUHHGIS-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO CCC1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000251462933 349187599 /nfs/dbraw/zinc/18/75/99/349187599.db2.gz AUQYHBOZZMZWPG-SEHQOZNPSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)CCO1 ZINC000251502366 349188405 /nfs/dbraw/zinc/18/84/05/349188405.db2.gz DUMXUVSRHPWVBS-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)CCO1 ZINC000251502369 349188474 /nfs/dbraw/zinc/18/84/74/349188474.db2.gz DUMXUVSRHPWVBS-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnn(CC)c1 ZINC000251523486 135070301 /nfs/dbraw/zinc/07/03/01/135070301.db2.gz ABKFYPAVTATLGZ-NFAWXSAZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnn(CC)c1 ZINC000251523502 535819328 /nfs/dbraw/zinc/81/93/28/535819328.db2.gz ABKFYPAVTATLGZ-UMVBOHGHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000251527522 388748456 /nfs/dbraw/zinc/74/84/56/388748456.db2.gz AFMHBKLXJYQPJD-BZPMIXESSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000251527535 325677496 /nfs/dbraw/zinc/67/74/96/325677496.db2.gz AFMHBKLXJYQPJD-YRGRVCCFSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C(C)C)C1 ZINC000251535578 388749747 /nfs/dbraw/zinc/74/97/47/388749747.db2.gz ANMVGESUPDCCRW-BFHYXJOUSA-N 1 0 211.393 3.837 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C(C)C)C1 ZINC000251535591 388749346 /nfs/dbraw/zinc/74/93/46/388749346.db2.gz ANMVGESUPDCCRW-MJBXVCDLSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccco1 ZINC000251552951 135071657 /nfs/dbraw/zinc/07/16/57/135071657.db2.gz BBJCKBSQBNAYKX-FVCCEPFGSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccco1 ZINC000251552986 135071150 /nfs/dbraw/zinc/07/11/50/135071150.db2.gz BBJCKBSQBNAYKX-QNWHQSFQSA-N 1 0 221.344 3.755 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CCO1 ZINC000251556531 388749173 /nfs/dbraw/zinc/74/91/73/388749173.db2.gz IFMSUGYGCPKUFR-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)CCO1 ZINC000251556543 325677976 /nfs/dbraw/zinc/67/79/76/325677976.db2.gz IFMSUGYGCPKUFR-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000251571951 325678222 /nfs/dbraw/zinc/67/82/22/325678222.db2.gz BXRNPHVWPKDQKT-BHPKHCPMSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000251571963 325678362 /nfs/dbraw/zinc/67/83/62/325678362.db2.gz BXRNPHVWPKDQKT-KHMAMNHCSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000251571976 325678346 /nfs/dbraw/zinc/67/83/46/325678346.db2.gz BXRNPHVWPKDQKT-XLWJZTARSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000251571988 325678135 /nfs/dbraw/zinc/67/81/35/325678135.db2.gz BXRNPHVWPKDQKT-XPCVCDNBSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1 ZINC000251577304 388345902 /nfs/dbraw/zinc/34/59/02/388345902.db2.gz AXDPRHNBBALJNW-NHAGDIPZSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000251579021 538047473 /nfs/dbraw/zinc/04/74/73/538047473.db2.gz AYKSLDPVTWNFNB-DFBGVHRSSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000251579028 538048156 /nfs/dbraw/zinc/04/81/56/538048156.db2.gz AYKSLDPVTWNFNB-UGFHNGPFSA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000251608751 388750580 /nfs/dbraw/zinc/75/05/80/388750580.db2.gz CAGOILKSSNPJQX-DGAVXFQQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000251608759 325679003 /nfs/dbraw/zinc/67/90/03/325679003.db2.gz CAGOILKSSNPJQX-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC1CC1 ZINC000251616271 388750518 /nfs/dbraw/zinc/75/05/18/388750518.db2.gz DUIKETHWXHPHKI-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC1CC1 ZINC000251616277 325679007 /nfs/dbraw/zinc/67/90/07/325679007.db2.gz DUIKETHWXHPHKI-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1nccs1 ZINC000251618300 135072860 /nfs/dbraw/zinc/07/28/60/135072860.db2.gz DHLJZBKYGVPILZ-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1nccs1 ZINC000251618305 135072809 /nfs/dbraw/zinc/07/28/09/135072809.db2.gz DHLJZBKYGVPILZ-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC000251625621 135072673 /nfs/dbraw/zinc/07/26/73/135072673.db2.gz DOPSWYGQMXYENU-NQBHXWOUSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC000251625623 135072623 /nfs/dbraw/zinc/07/26/23/135072623.db2.gz DOPSWYGQMXYENU-WZRBSPASSA-N 1 0 223.385 3.662 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC(C)C)CCO1 ZINC000251634626 325679066 /nfs/dbraw/zinc/67/90/66/325679066.db2.gz MIVYCDGAGBGJCF-QLFBSQMISA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CCCC(C)C)CCO1 ZINC000251634631 325679061 /nfs/dbraw/zinc/67/90/61/325679061.db2.gz MIVYCDGAGBGJCF-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C[C@H]1C ZINC000251635313 388750752 /nfs/dbraw/zinc/75/07/52/388750752.db2.gz DXNSHNVPXXKWEQ-GMTAPVOTSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C[C@H]1C ZINC000251635316 388750797 /nfs/dbraw/zinc/75/07/97/388750797.db2.gz DXNSHNVPXXKWEQ-MXWKQRLJSA-N 1 0 241.762 3.847 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000251658417 325679512 /nfs/dbraw/zinc/67/95/12/325679512.db2.gz BPMUJIYPWXDTHH-QJPTWQEYSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000251658419 388750372 /nfs/dbraw/zinc/75/03/72/388750372.db2.gz BPMUJIYPWXDTHH-TUAOUCFPSA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C[C@H]1C ZINC000251658917 325679514 /nfs/dbraw/zinc/67/95/14/325679514.db2.gz FXWHTZUQIRQBFT-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C[C@H]1C ZINC000251658920 325679407 /nfs/dbraw/zinc/67/94/07/325679407.db2.gz FXWHTZUQIRQBFT-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000251664143 369892235 /nfs/dbraw/zinc/89/22/35/369892235.db2.gz HEYNGTMNBQBSNZ-BMFZPTHFSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000251664148 369892611 /nfs/dbraw/zinc/89/26/11/369892611.db2.gz HEYNGTMNBQBSNZ-FVQBIDKESA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000251671803 644816629 /nfs/dbraw/zinc/81/66/29/644816629.db2.gz HNAXPVZPCLOBDF-JHJVBQTASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000251671805 644817362 /nfs/dbraw/zinc/81/73/62/644817362.db2.gz HNAXPVZPCLOBDF-UPJWGTAASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc(O)c1 ZINC000251673844 384913403 /nfs/dbraw/zinc/91/34/03/384913403.db2.gz GONMPEJKULEUCQ-WFGGJUAMSA-N 1 0 247.382 3.868 20 0 BHADRO CCC(CC)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000251677962 388751323 /nfs/dbraw/zinc/75/13/23/388751323.db2.gz MZJHMILDYCJCJO-BBRMVZONSA-N 1 0 246.398 3.901 20 0 BHADRO CCC(CC)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000251677963 388751332 /nfs/dbraw/zinc/75/13/32/388751332.db2.gz MZJHMILDYCJCJO-CJNGLKHVSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000251679239 538051101 /nfs/dbraw/zinc/05/11/01/538051101.db2.gz HVHDCAQQOFEAPK-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000251679241 538049437 /nfs/dbraw/zinc/04/94/37/538049437.db2.gz HVHDCAQQOFEAPK-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)C[C@@H](C)C1 ZINC000251682200 388751903 /nfs/dbraw/zinc/75/19/03/388751903.db2.gz AMMOLJNJCDMVDO-YABSGUDNSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C[C@@H](C)C1 ZINC000251686330 325679889 /nfs/dbraw/zinc/67/98/89/325679889.db2.gz AQNXLWQDDFFHIK-RFQIPJPRSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)C[C@@H](C)C1 ZINC000251686334 388751229 /nfs/dbraw/zinc/75/12/29/388751229.db2.gz AQNXLWQDDFFHIK-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@H]1C ZINC000251689947 325679891 /nfs/dbraw/zinc/67/98/91/325679891.db2.gz HDKQIJSRUGYDRW-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@H]1C ZINC000251689950 388751327 /nfs/dbraw/zinc/75/13/27/388751327.db2.gz HDKQIJSRUGYDRW-SYQHCUMBSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251692068 644817327 /nfs/dbraw/zinc/81/73/27/644817327.db2.gz HFYRFFJBZFBTCH-AAVRWANBSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000251692071 711764184 /nfs/dbraw/zinc/76/41/84/711764184.db2.gz HFYRFFJBZFBTCH-IGQOVBAYSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251692075 711764210 /nfs/dbraw/zinc/76/42/10/711764210.db2.gz HFYRFFJBZFBTCH-REWJHTLYSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000251693674 388751939 /nfs/dbraw/zinc/75/19/39/388751939.db2.gz HIITUSDZZZIPBL-CIQGVGRVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251693677 388751852 /nfs/dbraw/zinc/75/18/52/388751852.db2.gz HIITUSDZZZIPBL-FMCLSXCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251693681 325680174 /nfs/dbraw/zinc/68/01/74/325680174.db2.gz HIITUSDZZZIPBL-HKUMRIAESA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000251701516 135074644 /nfs/dbraw/zinc/07/46/44/135074644.db2.gz BGGUSZPGCYRLFA-MDZLAQPJSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000251701521 135074848 /nfs/dbraw/zinc/07/48/48/135074848.db2.gz BGGUSZPGCYRLFA-WZRBSPASSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)C[C@H]1C ZINC000251704112 388751883 /nfs/dbraw/zinc/75/18/83/388751883.db2.gz HUNZLDUARROELG-IJLUTSLNSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)C[C@H]1C ZINC000251704114 388751869 /nfs/dbraw/zinc/75/18/69/388751869.db2.gz HUNZLDUARROELG-UTUOFQBUSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000251707911 177318388 /nfs/dbraw/zinc/31/83/88/177318388.db2.gz BNCDZYFSIJNFKN-RFQIPJPRSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000251707913 177318853 /nfs/dbraw/zinc/31/88/53/177318853.db2.gz BNCDZYFSIJNFKN-RQJABVFESA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000251718352 325680491 /nfs/dbraw/zinc/68/04/91/325680491.db2.gz JUTKRNXWAXGZEV-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000251718358 388752283 /nfs/dbraw/zinc/75/22/83/388752283.db2.gz JUTKRNXWAXGZEV-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000251725323 322907591 /nfs/dbraw/zinc/90/75/91/322907591.db2.gz KDUGCRLFEJMJGZ-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000251725326 384193565 /nfs/dbraw/zinc/19/35/65/384193565.db2.gz KDUGCRLFEJMJGZ-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000251725897 325680706 /nfs/dbraw/zinc/68/07/06/325680706.db2.gz CESBASYWXRXZBZ-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000251725900 325680687 /nfs/dbraw/zinc/68/06/87/325680687.db2.gz CESBASYWXRXZBZ-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000251744151 325681122 /nfs/dbraw/zinc/68/11/22/325681122.db2.gz JLTPVIDMPIQSNT-FMCLSXCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000251744155 388752939 /nfs/dbraw/zinc/75/29/39/388752939.db2.gz JLTPVIDMPIQSNT-HKUMRIAESA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251744158 388752137 /nfs/dbraw/zinc/75/21/37/388752137.db2.gz JLTPVIDMPIQSNT-KZVDOYCCSA-N 1 0 209.377 3.589 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251746211 325681006 /nfs/dbraw/zinc/68/10/06/325681006.db2.gz JMVPYQBZLPKMJC-GZBFAFLISA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251746214 388752967 /nfs/dbraw/zinc/75/29/67/388752967.db2.gz JMVPYQBZLPKMJC-UMVBOHGHSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000251748159 388752749 /nfs/dbraw/zinc/75/27/49/388752749.db2.gz AASVIKJZNRWHTG-GFCCVEGCSA-N 1 0 239.309 3.729 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000251748163 388752498 /nfs/dbraw/zinc/75/24/98/388752498.db2.gz AASVIKJZNRWHTG-LBPRGKRZSA-N 1 0 239.309 3.729 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000251751368 384913088 /nfs/dbraw/zinc/91/30/88/384913088.db2.gz GZJFHDMVCOXBIE-XQQFMLRXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000251751371 322871471 /nfs/dbraw/zinc/87/14/71/322871471.db2.gz GZJFHDMVCOXBIE-YNEHKIRRSA-N 1 0 237.362 3.781 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)c1cccnc1 ZINC000251758270 325681123 /nfs/dbraw/zinc/68/11/23/325681123.db2.gz KBVFMDTZKABTQQ-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccnc1 ZINC000251758275 176902012 /nfs/dbraw/zinc/90/20/12/176902012.db2.gz KBVFMDTZKABTQQ-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1cccnc1 ZINC000251758285 385634239 /nfs/dbraw/zinc/63/42/39/385634239.db2.gz KBVFMDTZKABTQQ-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000251766684 325681157 /nfs/dbraw/zinc/68/11/57/325681157.db2.gz DVYLKRAMHRZGJZ-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@H](C)C1 ZINC000251766688 388752583 /nfs/dbraw/zinc/75/25/83/388752583.db2.gz DVYLKRAMHRZGJZ-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2cccs2)C[C@@H](C)C1 ZINC000251772322 325681390 /nfs/dbraw/zinc/68/13/90/325681390.db2.gz FCRDLBNMCKNFAA-GDNZZTSVSA-N 1 0 223.385 3.662 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000251772423 135076151 /nfs/dbraw/zinc/07/61/51/135076151.db2.gz ILUJKZSWVKBQFH-MVWJERBFSA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000251772427 535942203 /nfs/dbraw/zinc/94/22/03/535942203.db2.gz ILUJKZSWVKBQFH-ZMLRMANQSA-N 1 0 223.360 3.982 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000251775957 388754328 /nfs/dbraw/zinc/75/43/28/388754328.db2.gz FHBQXEWEWRWGJR-GUTXKFCHSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000251775959 388754552 /nfs/dbraw/zinc/75/45/52/388754552.db2.gz FHBQXEWEWRWGJR-GZBFAFLISA-N 1 0 249.423 3.664 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000251784265 325681432 /nfs/dbraw/zinc/68/14/32/325681432.db2.gz FQQFNRJXQAIMNT-QVHKTLOISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000251784270 388753525 /nfs/dbraw/zinc/75/35/25/388753525.db2.gz FQQFNRJXQAIMNT-XFMPKHEZSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@]2(C)CCCS2)C[C@@H](C)C1 ZINC000251784500 388754735 /nfs/dbraw/zinc/75/47/35/388754735.db2.gz FRAOHCOOPWSAEO-DGAVXFQQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@@]2(C)CCCS2)C[C@@H](C)C1 ZINC000251784506 325681331 /nfs/dbraw/zinc/68/13/31/325681331.db2.gz FRAOHCOOPWSAEO-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000251789746 325681654 /nfs/dbraw/zinc/68/16/54/325681654.db2.gz FVVZGZVUSLMDGP-XDQVBPFNSA-N 1 0 211.393 3.835 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccoc1 ZINC000251789932 325681485 /nfs/dbraw/zinc/68/14/85/325681485.db2.gz NNHMCFOFFVNYEC-BZPMIXESSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccoc1 ZINC000251789934 388754538 /nfs/dbraw/zinc/75/45/38/388754538.db2.gz NNHMCFOFFVNYEC-YRGRVCCFSA-N 1 0 221.344 3.899 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000251792771 325681434 /nfs/dbraw/zinc/68/14/34/325681434.db2.gz LQPGYRRQWZZOIH-GZBFAFLISA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000251792774 388754825 /nfs/dbraw/zinc/75/48/25/388754825.db2.gz LQPGYRRQWZZOIH-UMVBOHGHSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000251798972 325681891 /nfs/dbraw/zinc/68/18/91/325681891.db2.gz GFLUSEGLQDLAKW-CRWXNKLISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000251798973 388754521 /nfs/dbraw/zinc/75/45/21/388754521.db2.gz GFLUSEGLQDLAKW-XJFOESAGSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251799147 322871528 /nfs/dbraw/zinc/87/15/28/322871528.db2.gz KJVYAVUKGBDZIW-DMDPSCGWSA-N 1 0 221.344 3.539 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251799150 384918047 /nfs/dbraw/zinc/91/80/47/384918047.db2.gz KJVYAVUKGBDZIW-LOWVWBTDSA-N 1 0 221.344 3.539 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2C)CCO1 ZINC000251818123 584732487 /nfs/dbraw/zinc/73/24/87/584732487.db2.gz ZJFZBBPYMYRIAM-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)CCO1 ZINC000251818129 584732574 /nfs/dbraw/zinc/73/25/74/584732574.db2.gz ZJFZBBPYMYRIAM-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2C)CCO1 ZINC000251818132 584732813 /nfs/dbraw/zinc/73/28/13/584732813.db2.gz ZJFZBBPYMYRIAM-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000251819208 535809220 /nfs/dbraw/zinc/80/92/20/535809220.db2.gz ZMBRQISDZBVQHD-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000251819212 535808526 /nfs/dbraw/zinc/80/85/26/535808526.db2.gz ZMBRQISDZBVQHD-BZUAXINKSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC000251832051 644825131 /nfs/dbraw/zinc/82/51/31/644825131.db2.gz QAZPGOJGWWMQOR-MCIONIFRSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC000251832054 644825701 /nfs/dbraw/zinc/82/57/01/644825701.db2.gz QAZPGOJGWWMQOR-MGPQQGTHSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000251836401 388753697 /nfs/dbraw/zinc/75/36/97/388753697.db2.gz QJWFKIVVCWHEEK-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000251836403 388753652 /nfs/dbraw/zinc/75/36/52/388753652.db2.gz QJWFKIVVCWHEEK-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC=CCC2)[C@H]1C ZINC000251841831 323517614 /nfs/dbraw/zinc/51/76/14/323517614.db2.gz OFUXQHGPDLJFES-RFGFWPKPSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=CCC2)[C@H]1C ZINC000251841833 388755577 /nfs/dbraw/zinc/75/55/77/388755577.db2.gz OFUXQHGPDLJFES-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC[C@H]1CC)C1CC1 ZINC000251854179 325682458 /nfs/dbraw/zinc/68/24/58/325682458.db2.gz SCNIIJVIOULMNN-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1CC)C1CC1 ZINC000251854181 388756008 /nfs/dbraw/zinc/75/60/08/388756008.db2.gz SCNIIJVIOULMNN-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000251856881 325682817 /nfs/dbraw/zinc/68/28/17/325682817.db2.gz NWFJSIJVUUDEGX-PGUXBMHVSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000251856884 325682679 /nfs/dbraw/zinc/68/26/79/325682679.db2.gz NWFJSIJVUUDEGX-RWSFTLGLSA-N 1 0 235.346 3.837 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C[C@H]1C ZINC000251859855 323140988 /nfs/dbraw/zinc/14/09/88/323140988.db2.gz PTIHDGJVAVLVMP-GYSYKLTISA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C[C@H]1C ZINC000251859858 325682873 /nfs/dbraw/zinc/68/28/73/325682873.db2.gz PTIHDGJVAVLVMP-JTNHKYCSSA-N 1 0 221.388 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nccs1 ZINC000251860410 535819434 /nfs/dbraw/zinc/81/94/34/535819434.db2.gz SSQMIAJHJHEDDM-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nccs1 ZINC000251860413 135080113 /nfs/dbraw/zinc/08/01/13/135080113.db2.gz SSQMIAJHJHEDDM-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251865130 322871733 /nfs/dbraw/zinc/87/17/33/322871733.db2.gz QDGRMHNIGKPKHJ-XDQVBPFNSA-N 1 0 211.393 3.835 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000251883434 636715824 /nfs/dbraw/zinc/71/58/24/636715824.db2.gz VKORKLRWGYNWFH-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000251883436 636715691 /nfs/dbraw/zinc/71/56/91/636715691.db2.gz VKORKLRWGYNWFH-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000251885532 325683154 /nfs/dbraw/zinc/68/31/54/325683154.db2.gz RLKLMEIIAHNSOM-GZBFAFLISA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000251885535 388756993 /nfs/dbraw/zinc/75/69/93/388756993.db2.gz RLKLMEIIAHNSOM-UMVBOHGHSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccoc1 ZINC000251897934 388756428 /nfs/dbraw/zinc/75/64/28/388756428.db2.gz SGXILNDRBLAIOA-ZJQBRPOHSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccncc1 ZINC000251899426 135080261 /nfs/dbraw/zinc/08/02/61/135080261.db2.gz SJZHJORMMIAPRB-GUIRCDHDSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccncc1 ZINC000251899428 135080574 /nfs/dbraw/zinc/08/05/74/135080574.db2.gz SJZHJORMMIAPRB-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000251899853 135080095 /nfs/dbraw/zinc/08/00/95/135080095.db2.gz WSPOBIJUHULTAN-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000251899856 135080070 /nfs/dbraw/zinc/08/00/70/135080070.db2.gz WSPOBIJUHULTAN-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(O)c1 ZINC000251907814 325683491 /nfs/dbraw/zinc/68/34/91/325683491.db2.gz SZZSSWRIHOLODV-GUIRCDHDSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1cccc(O)c1 ZINC000251907817 388756040 /nfs/dbraw/zinc/75/60/40/388756040.db2.gz SZZSSWRIHOLODV-SFDCQRBFSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000251915706 384919245 /nfs/dbraw/zinc/91/92/45/384919245.db2.gz UHWOEWPMQBCGMT-COXVUDFISA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000251915707 384916822 /nfs/dbraw/zinc/91/68/22/384916822.db2.gz UHWOEWPMQBCGMT-XYPHTWIQSA-N 1 0 243.394 3.712 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251916199 325683391 /nfs/dbraw/zinc/68/33/91/325683391.db2.gz UISRHLRRWWJVQT-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251916203 388757680 /nfs/dbraw/zinc/75/76/80/388757680.db2.gz UISRHLRRWWJVQT-YIYPIFLZSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC000251918568 325683426 /nfs/dbraw/zinc/68/34/26/325683426.db2.gz UNETYSCVKDAPIK-JHJVBQTASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC000251918571 388757632 /nfs/dbraw/zinc/75/76/32/388757632.db2.gz UNETYSCVKDAPIK-UPJWGTAASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000251920300 388758710 /nfs/dbraw/zinc/75/87/10/388758710.db2.gz AJOYCKJUJHYSNY-JTQLQIEISA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000251920303 388759005 /nfs/dbraw/zinc/75/90/05/388759005.db2.gz AJOYCKJUJHYSNY-SNVBAGLBSA-N 1 0 223.747 3.570 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)C1 ZINC000251920587 325683736 /nfs/dbraw/zinc/68/37/36/325683736.db2.gz YLOARJWCHALDHD-FQUUOJAGSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000251920590 388759035 /nfs/dbraw/zinc/75/90/35/388759035.db2.gz YLOARJWCHALDHD-QKGCVVFFSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251920594 388758209 /nfs/dbraw/zinc/75/82/09/388758209.db2.gz YLOARJWCHALDHD-SYQHCUMBSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000251920596 384264970 /nfs/dbraw/zinc/26/49/70/384264970.db2.gz YLOARJWCHALDHD-XLWJZTARSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000251921844 135081551 /nfs/dbraw/zinc/08/15/51/135081551.db2.gz QFWGMOCPSWKLTN-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000251921846 135081011 /nfs/dbraw/zinc/08/10/11/135081011.db2.gz QFWGMOCPSWKLTN-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000251925352 362987108 /nfs/dbraw/zinc/98/71/08/362987108.db2.gz CHQCCYBBDAQXDW-JTQLQIEISA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000251925354 362987308 /nfs/dbraw/zinc/98/73/08/362987308.db2.gz CHQCCYBBDAQXDW-SNVBAGLBSA-N 1 0 223.747 3.570 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2OC)C1 ZINC000251926405 388759001 /nfs/dbraw/zinc/75/90/01/388759001.db2.gz YVFATHADNYWCQX-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2OC)C1 ZINC000251926407 388758169 /nfs/dbraw/zinc/75/81/69/388758169.db2.gz YVFATHADNYWCQX-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000251926409 325683643 /nfs/dbraw/zinc/68/36/43/325683643.db2.gz YVFATHADNYWCQX-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251933832 322871813 /nfs/dbraw/zinc/87/18/13/322871813.db2.gz RQJHTHXUHFISKN-KZVDOYCCSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000251933834 322871652 /nfs/dbraw/zinc/87/16/52/322871652.db2.gz RQJHTHXUHFISKN-MNXVOIDGSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251933836 322871783 /nfs/dbraw/zinc/87/17/83/322871783.db2.gz RQJHTHXUHFISKN-OPDFLTKYSA-N 1 0 235.371 3.927 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000251935480 171366374 /nfs/dbraw/zinc/36/63/74/171366374.db2.gz RUZUAGPCYQYYIR-IVZWLZJFSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000251935482 171391262 /nfs/dbraw/zinc/39/12/62/171391262.db2.gz RUZUAGPCYQYYIR-LPEHRKFASA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000251940653 388757583 /nfs/dbraw/zinc/75/75/83/388757583.db2.gz SLMTYAIYQCSZJN-GVXVVHGQSA-N 1 0 235.396 3.858 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000251940654 388758901 /nfs/dbraw/zinc/75/89/01/388758901.db2.gz SLMTYAIYQCSZJN-LOWVWBTDSA-N 1 0 235.396 3.858 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000251944551 644831687 /nfs/dbraw/zinc/83/16/87/644831687.db2.gz WFKZBYJORPXTPA-KYEXWDHISA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000251944553 644833116 /nfs/dbraw/zinc/83/31/16/644833116.db2.gz WFKZBYJORPXTPA-RGCMKSIDSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251944555 644832331 /nfs/dbraw/zinc/83/23/31/644832331.db2.gz WFKZBYJORPXTPA-SFDCQRBFSA-N 1 0 235.371 3.625 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000251944768 636717697 /nfs/dbraw/zinc/71/76/97/636717697.db2.gz SWUNCBXGCIYIIJ-HUBLWGQQSA-N 1 0 249.423 3.999 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000251944769 636718064 /nfs/dbraw/zinc/71/80/64/636718064.db2.gz SWUNCBXGCIYIIJ-ZOWXZIJZSA-N 1 0 249.423 3.999 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1(C)CC1 ZINC000251986041 135082491 /nfs/dbraw/zinc/08/24/91/135082491.db2.gz YZXPGDQSSHTFHN-LPWJVIDDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1(C)CC1 ZINC000251986044 135082077 /nfs/dbraw/zinc/08/20/77/135082077.db2.gz YZXPGDQSSHTFHN-NDBYEHHHSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccoc1 ZINC000251986911 325683907 /nfs/dbraw/zinc/68/39/07/325683907.db2.gz ZBXNFCJCFWOCBC-KZVDOYCCSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccoc1 ZINC000251986913 384305667 /nfs/dbraw/zinc/30/56/67/384305667.db2.gz ZBXNFCJCFWOCBC-NRWUCQMLSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)c1ccccn1 ZINC000251998364 538065075 /nfs/dbraw/zinc/06/50/75/538065075.db2.gz ZTHYOZYVBYBRCN-MQYQWHSLSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccn1 ZINC000251998366 176902946 /nfs/dbraw/zinc/90/29/46/176902946.db2.gz ZTHYOZYVBYBRCN-RFQIPJPRSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccn1 ZINC000251998372 176901994 /nfs/dbraw/zinc/90/19/94/176901994.db2.gz ZTHYOZYVBYBRCN-YIYPIFLZSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000252001713 388758003 /nfs/dbraw/zinc/75/80/03/388758003.db2.gz ZYYKDZCWICBTKJ-AGIUHOORSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000252001717 388757828 /nfs/dbraw/zinc/75/78/28/388757828.db2.gz ZYYKDZCWICBTKJ-UPJWGTAASA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000252002852 644832437 /nfs/dbraw/zinc/83/24/37/644832437.db2.gz WIPLZVPAEURLED-RWMBFGLXSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000252002853 644832972 /nfs/dbraw/zinc/83/29/72/644832972.db2.gz WIPLZVPAEURLED-YNEHKIRRSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000252003546 388760821 /nfs/dbraw/zinc/76/08/21/388760821.db2.gz WKJFXMRHVYHVGU-CHWSQXEVSA-N 1 0 235.371 3.821 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000252003547 388759964 /nfs/dbraw/zinc/75/99/64/388759964.db2.gz WKJFXMRHVYHVGU-QWHCGFSZSA-N 1 0 235.371 3.821 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000252012360 388758975 /nfs/dbraw/zinc/75/89/75/388758975.db2.gz SVLNGMULYJSRPD-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000252012362 388757589 /nfs/dbraw/zinc/75/75/89/388757589.db2.gz SVLNGMULYJSRPD-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000252017323 135082703 /nfs/dbraw/zinc/08/27/03/135082703.db2.gz WUMVDGJMIORDHD-GARJFASQSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000252017325 135082788 /nfs/dbraw/zinc/08/27/88/135082788.db2.gz WUMVDGJMIORDHD-HBNTYKKESA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000252018798 171295751 /nfs/dbraw/zinc/29/57/51/171295751.db2.gz XAQNMNGYVZISIN-QJPTWQEYSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000252018800 171298228 /nfs/dbraw/zinc/29/82/28/171298228.db2.gz XAQNMNGYVZISIN-SDDRHHMPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCCS1 ZINC000252025097 388760637 /nfs/dbraw/zinc/76/06/37/388760637.db2.gz YCPYMMVFVGUTAS-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCCS1 ZINC000252025099 325684444 /nfs/dbraw/zinc/68/44/44/325684444.db2.gz YCPYMMVFVGUTAS-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000252026992 388760618 /nfs/dbraw/zinc/76/06/18/388760618.db2.gz YLZGMBPJFWCPON-AJNGGQMLSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000252026993 325684483 /nfs/dbraw/zinc/68/44/83/325684483.db2.gz YLZGMBPJFWCPON-ZQDZILKHSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000252027774 322871692 /nfs/dbraw/zinc/87/16/92/322871692.db2.gz YPZKQYZLKTWPHQ-XEZPLFJOSA-N 1 0 231.383 3.568 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000252027775 384918273 /nfs/dbraw/zinc/91/82/73/384918273.db2.gz YPZKQYZLKTWPHQ-ZENOOKHLSA-N 1 0 231.383 3.568 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1C ZINC000252088217 325684823 /nfs/dbraw/zinc/68/48/23/325684823.db2.gz DDURRPAPSYLVFV-FMKPAKJESA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252088219 325684802 /nfs/dbraw/zinc/68/48/02/325684802.db2.gz DDURRPAPSYLVFV-IIAWOOMASA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000252088823 135082771 /nfs/dbraw/zinc/08/27/71/135082771.db2.gz GWBLFRCKNBDANH-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000252088826 135082958 /nfs/dbraw/zinc/08/29/58/135082958.db2.gz GWBLFRCKNBDANH-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000252091269 323141228 /nfs/dbraw/zinc/14/12/28/323141228.db2.gz DRHIGZRUVKVIIX-JYAVWHMHSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC000252095710 384918321 /nfs/dbraw/zinc/91/83/21/384918321.db2.gz FKFDQDVXLDSOBP-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC000252095711 384917345 /nfs/dbraw/zinc/91/73/45/384917345.db2.gz FKFDQDVXLDSOBP-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000252096906 388760397 /nfs/dbraw/zinc/76/03/97/388760397.db2.gz HWZREIBWCMVWTL-MQYQWHSLSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000252096908 325685037 /nfs/dbraw/zinc/68/50/37/325685037.db2.gz HWZREIBWCMVWTL-RQJABVFESA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000252096909 388759894 /nfs/dbraw/zinc/75/98/94/388759894.db2.gz HWZREIBWCMVWTL-SYQHCUMBSA-N 1 0 209.377 3.591 20 0 BHADRO COc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000252097176 322871757 /nfs/dbraw/zinc/87/17/57/322871757.db2.gz FQNQLCHROUKVGU-VIKVFOODSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000252098268 388759676 /nfs/dbraw/zinc/75/96/76/388759676.db2.gz FVHWMDMBDWHMIW-RTXFEEFZSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000252098269 388759838 /nfs/dbraw/zinc/75/98/38/388759838.db2.gz FVHWMDMBDWHMIW-WXHSDQCUSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1ccccc1 ZINC000252101676 322871736 /nfs/dbraw/zinc/87/17/36/322871736.db2.gz GJCFSILGQRTYKD-FOLVSLTJSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1(C)CC1 ZINC000252102750 384916809 /nfs/dbraw/zinc/91/68/09/384916809.db2.gz GNJXZTLKLWQOJW-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1(C)CC1 ZINC000252102751 384916727 /nfs/dbraw/zinc/91/67/27/384916727.db2.gz GNJXZTLKLWQOJW-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1F ZINC000252105611 384917443 /nfs/dbraw/zinc/91/74/43/384917443.db2.gz GYHMUPJZDSGPMZ-JYAVWHMHSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cccc(O)c1 ZINC000252105865 388760409 /nfs/dbraw/zinc/76/04/09/388760409.db2.gz IXPRUGZXAILCNH-JXFSHQFZSA-N 1 0 247.382 3.868 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252109382 325685071 /nfs/dbraw/zinc/68/50/71/325685071.db2.gz JILZAWPFXCRVEM-NHAGDIPZSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000252111704 363124353 /nfs/dbraw/zinc/12/43/53/363124353.db2.gz HWCMTGKLCUHJEA-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000252111706 363123904 /nfs/dbraw/zinc/12/39/04/363123904.db2.gz HWCMTGKLCUHJEA-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C[C@@H](C)C1 ZINC000252112262 322912791 /nfs/dbraw/zinc/91/27/91/322912791.db2.gz JSDBUTJRQAYVLT-IMRBUKKESA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)CS1 ZINC000252112623 135083385 /nfs/dbraw/zinc/08/33/85/135083385.db2.gz JTKVMYVVLHMCAG-KYOSRNDESA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)CS1 ZINC000252112624 135083544 /nfs/dbraw/zinc/08/35/44/135083544.db2.gz JTKVMYVVLHMCAG-ZLDLUXBVSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000252117793 135083677 /nfs/dbraw/zinc/08/36/77/135083677.db2.gz IVXKDYGFZGMHGP-KCXAZCMYSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000252117795 135083561 /nfs/dbraw/zinc/08/35/61/135083561.db2.gz IVXKDYGFZGMHGP-WQVCFCJDSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000252120046 135083607 /nfs/dbraw/zinc/08/36/07/135083607.db2.gz KROHGOTYSZUBRC-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000252120047 135083635 /nfs/dbraw/zinc/08/36/35/135083635.db2.gz KROHGOTYSZUBRC-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1C ZINC000252121790 644837252 /nfs/dbraw/zinc/83/72/52/644837252.db2.gz JLSQVAZQINAVJI-NFAWXSAZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252121791 644836796 /nfs/dbraw/zinc/83/67/96/644836796.db2.gz JLSQVAZQINAVJI-UMVBOHGHSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000252123376 135083912 /nfs/dbraw/zinc/08/39/12/135083912.db2.gz JSBSAEBRPPZXJX-BNOWGMLFSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000252123378 135083296 /nfs/dbraw/zinc/08/32/96/135083296.db2.gz JSBSAEBRPPZXJX-XBFCOCLRSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC000252123679 384919307 /nfs/dbraw/zinc/91/93/07/384919307.db2.gz JTGROXQGIAWPOE-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252124514 388760762 /nfs/dbraw/zinc/76/07/62/388760762.db2.gz JWPABMPNWORXLA-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000252124515 388759756 /nfs/dbraw/zinc/75/97/56/388759756.db2.gz JWPABMPNWORXLA-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252124516 325684931 /nfs/dbraw/zinc/68/49/31/325684931.db2.gz JWPABMPNWORXLA-KZVDOYCCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252124625 388760044 /nfs/dbraw/zinc/76/00/44/388760044.db2.gz LFIZFOIMBIESBW-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252124626 388759610 /nfs/dbraw/zinc/75/96/10/388759610.db2.gz LFIZFOIMBIESBW-KZVDOYCCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1(C)CC1 ZINC000252124665 644836773 /nfs/dbraw/zinc/83/67/73/644836773.db2.gz LFRVEWQRZWCOGN-LPWJVIDDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccoc1 ZINC000252125497 388759844 /nfs/dbraw/zinc/75/98/44/388759844.db2.gz LINQNZXSLVZTBQ-BYNQJWBRSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000252125511 325685075 /nfs/dbraw/zinc/68/50/75/325685075.db2.gz LISNEOAMHLXLAQ-CZXHOFHRSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000252125512 388760476 /nfs/dbraw/zinc/76/04/76/388760476.db2.gz LISNEOAMHLXLAQ-KZVDOYCCSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]1CC([NH2+][C@@H]2CCCCC[C@H]2C)C[C@@H](C)O1 ZINC000252129458 541445731 /nfs/dbraw/zinc/44/57/31/541445731.db2.gz KOKAOCBINYVRCG-RGCMKSIDSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2C)C[C@H](C)O1 ZINC000252129459 541445800 /nfs/dbraw/zinc/44/58/00/541445800.db2.gz KOKAOCBINYVRCG-SBJFKYEJSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@H]2C)C[C@H](C)O1 ZINC000252129461 541445722 /nfs/dbraw/zinc/44/57/22/541445722.db2.gz KOKAOCBINYVRCG-UXXRCYHCSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000252130827 325685122 /nfs/dbraw/zinc/68/51/22/325685122.db2.gz LZQSBRFZMBYFCR-COMQUAJESA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000252130828 388760909 /nfs/dbraw/zinc/76/09/09/388760909.db2.gz LZQSBRFZMBYFCR-SFDCQRBFSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H](C)C1 ZINC000252133095 325685204 /nfs/dbraw/zinc/68/52/04/325685204.db2.gz MFVOJKFKOGTUSR-JYAVWHMHSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)[C@H]1C ZINC000252133997 388761751 /nfs/dbraw/zinc/76/17/51/388761751.db2.gz LFMXIAHKQHAZII-DYEKYZERSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)[C@H]1C ZINC000252133999 325685269 /nfs/dbraw/zinc/68/52/69/325685269.db2.gz LFMXIAHKQHAZII-MBNYWOFBSA-N 1 0 237.412 3.705 20 0 BHADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000252140397 388762208 /nfs/dbraw/zinc/76/22/08/388762208.db2.gz NDLPZBUFBZMRHL-NHAGDIPZSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000252140880 644836175 /nfs/dbraw/zinc/83/61/75/644836175.db2.gz MGCGXKYQKUCSMB-MCIONIFRSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000252140882 644837435 /nfs/dbraw/zinc/83/74/35/644837435.db2.gz MGCGXKYQKUCSMB-MGPQQGTHSA-N 1 0 235.371 3.627 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000252141480 388761620 /nfs/dbraw/zinc/76/16/20/388761620.db2.gz NGSYFOSQNIGTQH-XDQVBPFNSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCc2cccs2)C[C@@H](C)C1 ZINC000252141689 388762214 /nfs/dbraw/zinc/76/22/14/388762214.db2.gz NHJQCWWYCYBHFU-ITGUQSILSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCc2ccsc2)C[C@@H](C)C1 ZINC000252142019 325685129 /nfs/dbraw/zinc/68/51/29/325685129.db2.gz NIZKIGCCBPOIRS-IMRBUKKESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000252143334 349196756 /nfs/dbraw/zinc/19/67/56/349196756.db2.gz NNWLRHGBKVFRFM-DABQJJPHSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000252147305 135086152 /nfs/dbraw/zinc/08/61/52/135086152.db2.gz OCLBVFBPQNJYFI-QNWHQSFQSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000252147306 135085669 /nfs/dbraw/zinc/08/56/69/135085669.db2.gz OCLBVFBPQNJYFI-XQHKEYJVSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000252152489 388762396 /nfs/dbraw/zinc/76/23/96/388762396.db2.gz MSASAAOZVPKQSN-KMUNFCNLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000252152490 388762199 /nfs/dbraw/zinc/76/21/99/388762199.db2.gz MSASAAOZVPKQSN-ONERCXAPSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252153243 135086128 /nfs/dbraw/zinc/08/61/28/135086128.db2.gz MVGBGZLABLFMLB-RTXFEEFZSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252153244 135085987 /nfs/dbraw/zinc/08/59/87/135085987.db2.gz MVGBGZLABLFMLB-WXHSDQCUSA-N 1 0 235.396 3.904 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252153264 322872034 /nfs/dbraw/zinc/87/20/34/322872034.db2.gz MVNBBNFQTBQXJA-VIKVFOODSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)[C@H](C)C1 ZINC000252153362 388761159 /nfs/dbraw/zinc/76/11/59/388761159.db2.gz OVYIRDKYJWHDPW-SYQHCUMBSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000252155581 325685208 /nfs/dbraw/zinc/68/52/08/325685208.db2.gz PCSDUQWTJXWDRC-SNPRPXQTSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000252155582 325685280 /nfs/dbraw/zinc/68/52/80/325685280.db2.gz PCSDUQWTJXWDRC-YUELXQCFSA-N 1 0 249.423 3.867 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccsc2)[C@H]1C ZINC000252156347 325685127 /nfs/dbraw/zinc/68/51/27/325685127.db2.gz NIUVTISQGOWKQH-DYEKYZERSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccsc2)[C@H]1C ZINC000252156349 325685331 /nfs/dbraw/zinc/68/53/31/325685331.db2.gz NIUVTISQGOWKQH-MBNYWOFBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC000252156826 384917672 /nfs/dbraw/zinc/91/76/72/384917672.db2.gz NLDNJWJUVUWJGL-TYNCELHUSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC000252156828 322872086 /nfs/dbraw/zinc/87/20/86/322872086.db2.gz NLDNJWJUVUWJGL-XUJVJEKNSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC000252157044 322872007 /nfs/dbraw/zinc/87/20/07/322872007.db2.gz NLIVSJSZFJVFMW-IPYPFGDCSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC000252157046 322872012 /nfs/dbraw/zinc/87/20/12/322872012.db2.gz NLIVSJSZFJVFMW-VNHYZAJKSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC(C)(C)C1 ZINC000252157589 322871998 /nfs/dbraw/zinc/87/19/98/322871998.db2.gz PJDGBUPRQSUDLG-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC(C)(C)C1 ZINC000252157591 384916506 /nfs/dbraw/zinc/91/65/06/384916506.db2.gz PJDGBUPRQSUDLG-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@H]1C)c1ccccn1 ZINC000252165905 487819157 /nfs/dbraw/zinc/81/91/57/487819157.db2.gz QLVIECPFGNIXGD-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO COc1cccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000252167182 325685446 /nfs/dbraw/zinc/68/54/46/325685446.db2.gz QPOAZAJRTTUAQQ-NHAGDIPZSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000252169268 325685430 /nfs/dbraw/zinc/68/54/30/325685430.db2.gz QXYPNNISSRTDTM-RHYQMDGZSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000252169269 325685509 /nfs/dbraw/zinc/68/55/09/325685509.db2.gz QXYPNNISSRTDTM-WYUUTHIRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)C[C@H](C)O1 ZINC000252170462 644841023 /nfs/dbraw/zinc/84/10/23/644841023.db2.gz RBRMAYQOEKFYJY-AGGWBTHJSA-N 1 0 239.403 3.645 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)C[C@@H](C)C1 ZINC000252170855 388762167 /nfs/dbraw/zinc/76/21/67/388762167.db2.gz RDCZVHYEYYYJCC-URLYPYJESA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccs1 ZINC000252172593 384918530 /nfs/dbraw/zinc/91/85/30/384918530.db2.gz OGXDKZWPQSWNGJ-PJXYFTJBSA-N 1 0 223.385 3.662 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252173714 325685444 /nfs/dbraw/zinc/68/54/44/325685444.db2.gz RQDKIJWCIAQGTJ-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252173715 325685520 /nfs/dbraw/zinc/68/55/20/325685520.db2.gz RQDKIJWCIAQGTJ-RQJABVFESA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1cccs1 ZINC000252174295 384916843 /nfs/dbraw/zinc/91/68/43/384916843.db2.gz OQIHOXNPEAJAAS-IMRBUKKESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000252181327 388761641 /nfs/dbraw/zinc/76/16/41/388761641.db2.gz SXUFJNDILWBWIP-NQBHXWOUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000252181329 388762251 /nfs/dbraw/zinc/76/22/51/388762251.db2.gz SXUFJNDILWBWIP-WZRBSPASSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@H]1C)c1cccnc1 ZINC000252181626 325685740 /nfs/dbraw/zinc/68/57/40/325685740.db2.gz SYRDKSUNOVIJPB-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000252184098 387222724 /nfs/dbraw/zinc/22/27/24/387222724.db2.gz UANIDWSGBDCYLJ-BYNQJWBRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[C@@H](C)C1 ZINC000252185496 388679441 /nfs/dbraw/zinc/67/94/41/388679441.db2.gz UFKIWEVCLDDRHO-NHAGDIPZSA-N 1 0 217.356 3.601 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252185694 487821052 /nfs/dbraw/zinc/82/10/52/487821052.db2.gz QTQLXMXCRXPGIR-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252185695 487820978 /nfs/dbraw/zinc/82/09/78/487820978.db2.gz QTQLXMXCRXPGIR-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@H]1C ZINC000252186105 322872000 /nfs/dbraw/zinc/87/20/00/322872000.db2.gz QWARNICXAJMVLO-BARDWOONSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)[C@H]1C ZINC000252186106 322872151 /nfs/dbraw/zinc/87/21/51/322872151.db2.gz QWARNICXAJMVLO-QPSCCSFWSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000252186256 644841069 /nfs/dbraw/zinc/84/10/69/644841069.db2.gz UIKHFUWCUZQELX-BHPKHCPMSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H]1C ZINC000252188222 322872167 /nfs/dbraw/zinc/87/21/67/322872167.db2.gz RFLFOIYXTFIUOS-JFGNBEQYSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H]1C ZINC000252188223 384918563 /nfs/dbraw/zinc/91/85/63/384918563.db2.gz RFLFOIYXTFIUOS-SCVCMEIPSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000252188698 644840090 /nfs/dbraw/zinc/84/00/90/644840090.db2.gz URPHBYFYKZASHC-QNWHQSFQSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000252188699 644840804 /nfs/dbraw/zinc/84/08/04/644840804.db2.gz URPHBYFYKZASHC-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1ccsc1 ZINC000252189671 322872169 /nfs/dbraw/zinc/87/21/69/322872169.db2.gz RKRFPTBGTYCFJD-IMRBUKKESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000252194830 388762449 /nfs/dbraw/zinc/76/24/49/388762449.db2.gz SESCPQXEMGVFSY-AGIUHOORSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000252194832 388761473 /nfs/dbraw/zinc/76/14/73/388761473.db2.gz SESCPQXEMGVFSY-UPJWGTAASA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252196456 388761504 /nfs/dbraw/zinc/76/15/04/388761504.db2.gz VPBHXYMOARSIRT-APIJFGDWSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252196457 388761871 /nfs/dbraw/zinc/76/18/71/388761871.db2.gz VPBHXYMOARSIRT-XQLPTFJDSA-N 1 0 241.419 3.747 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)C[C@@H](C)C1 ZINC000252198572 135087040 /nfs/dbraw/zinc/08/70/40/135087040.db2.gz VWUWEOXODXTQGO-PJXYFTJBSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C[C@H](C)O1 ZINC000252203373 487822015 /nfs/dbraw/zinc/82/20/15/487822015.db2.gz WSKMQTVTKYDPQK-AGGWBTHJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252203809 635641327 /nfs/dbraw/zinc/64/13/27/635641327.db2.gz WUGKWBOXRZFWQR-RFQIPJPRSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252203810 635641306 /nfs/dbraw/zinc/64/13/06/635641306.db2.gz WUGKWBOXRZFWQR-RQJABVFESA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000252204363 135087025 /nfs/dbraw/zinc/08/70/25/135087025.db2.gz WWZYBCHOTRCYHJ-INWMFGNUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000252204364 135086965 /nfs/dbraw/zinc/08/69/65/135086965.db2.gz WWZYBCHOTRCYHJ-XPKDYRNWSA-N 1 0 229.367 3.842 20 0 BHADRO COc1cccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000252205952 322872053 /nfs/dbraw/zinc/87/20/53/322872053.db2.gz VCUYERAKBRWABZ-VIKVFOODSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000252207746 644841957 /nfs/dbraw/zinc/84/19/57/644841957.db2.gz VMDVFGQRUGUAGV-VIKVFOODSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccsc1 ZINC000252208143 135086907 /nfs/dbraw/zinc/08/69/07/135086907.db2.gz VOULLBYWUDKACB-PJXYFTJBSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000252208536 135086361 /nfs/dbraw/zinc/08/63/61/135086361.db2.gz XPHIMFRIHWPSRF-GYSYKLTISA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000252208537 135086970 /nfs/dbraw/zinc/08/69/70/135086970.db2.gz XPHIMFRIHWPSRF-JTNHKYCSSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1nccs1 ZINC000252208574 325686022 /nfs/dbraw/zinc/68/60/22/325686022.db2.gz XPOWOMMLZUIRSI-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000252208689 384917659 /nfs/dbraw/zinc/91/76/59/384917659.db2.gz VTADCLSFIUYJNL-CZXHOFHRSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000252208690 322872139 /nfs/dbraw/zinc/87/21/39/322872139.db2.gz VTADCLSFIUYJNL-KZVDOYCCSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1ccccc1F ZINC000252208835 384917461 /nfs/dbraw/zinc/91/74/61/384917461.db2.gz VTSGUPIQKHZPIN-VIKVFOODSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000252209106 188193399 /nfs/dbraw/zinc/19/33/99/188193399.db2.gz XSBIPQKHFCQRGE-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000252209107 187677809 /nfs/dbraw/zinc/67/78/09/187677809.db2.gz XSBIPQKHFCQRGE-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@H]1C ZINC000252209199 325686015 /nfs/dbraw/zinc/68/60/15/325686015.db2.gz VWEPHOVWCCOQIW-BZPMIXESSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252209200 388762814 /nfs/dbraw/zinc/76/28/14/388762814.db2.gz VWEPHOVWCCOQIW-YRGRVCCFSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000252209348 325685955 /nfs/dbraw/zinc/68/59/55/325685955.db2.gz XTMVNNZJFWJKQU-CRWXNKLISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000252209349 322928974 /nfs/dbraw/zinc/92/89/74/322928974.db2.gz XTMVNNZJFWJKQU-XJFOESAGSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC(F)(F)F ZINC000252211242 325685966 /nfs/dbraw/zinc/68/59/66/325685966.db2.gz WJWSGNFNARYWLC-URLYPYJESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H](C)C1 ZINC000252214745 388763490 /nfs/dbraw/zinc/76/34/90/388763490.db2.gz YYBFROGTEDEGBU-JYAVWHMHSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252216206 325685886 /nfs/dbraw/zinc/68/58/86/325685886.db2.gz XTBJESVALVMQQK-RHYQMDGZSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252216207 388763463 /nfs/dbraw/zinc/76/34/63/388763463.db2.gz XTBJESVALVMQQK-WYUUTHIRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H]1C ZINC000252217192 325685952 /nfs/dbraw/zinc/68/59/52/325685952.db2.gz XZLVPYSHRUXOLG-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@H]1C ZINC000252217193 388764096 /nfs/dbraw/zinc/76/40/96/388764096.db2.gz XZLVPYSHRUXOLG-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000252217556 177318880 /nfs/dbraw/zinc/31/88/80/177318880.db2.gz ZOKJQHWQLMJRSB-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000252217557 177318148 /nfs/dbraw/zinc/31/81/48/177318148.db2.gz ZOKJQHWQLMJRSB-SFDCQRBFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H]1C ZINC000252218472 388763083 /nfs/dbraw/zinc/76/30/83/388763083.db2.gz YJWKEAUAPXVUQF-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252218473 325685882 /nfs/dbraw/zinc/68/58/82/325685882.db2.gz YJWKEAUAPXVUQF-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000252220653 322872104 /nfs/dbraw/zinc/87/21/04/322872104.db2.gz YYHMRGLHGXBWKN-COMQUAJESA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000252221388 325686310 /nfs/dbraw/zinc/68/63/10/325686310.db2.gz ZDMICYVEYSGGOI-OXHZDVMGSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000252221389 388763528 /nfs/dbraw/zinc/76/35/28/388763528.db2.gz ZDMICYVEYSGGOI-RFHZTLPTSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000252221390 388762776 /nfs/dbraw/zinc/76/27/76/388762776.db2.gz ZDMICYVEYSGGOI-XWUBHJNHSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000252222884 322872162 /nfs/dbraw/zinc/87/21/62/322872162.db2.gz ZNKNWWNKKWMQLP-JYAVWHMHSA-N 1 0 235.346 3.740 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000252231109 388763056 /nfs/dbraw/zinc/76/30/56/388763056.db2.gz ZUCIUFRSFBVNKG-RFQIPJPRSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000252231111 325686263 /nfs/dbraw/zinc/68/62/63/325686263.db2.gz ZUCIUFRSFBVNKG-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(C)s1 ZINC000252363381 711797288 /nfs/dbraw/zinc/79/72/88/711797288.db2.gz MDYJZEXIUDWXPQ-PTRXPTGYSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(C)s1 ZINC000252363382 711797312 /nfs/dbraw/zinc/79/73/12/711797312.db2.gz MDYJZEXIUDWXPQ-VDDIYKPWSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000252368302 322872088 /nfs/dbraw/zinc/87/20/88/322872088.db2.gz NCJBHUPVKBQNKF-IHRRRGAJSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000252368303 322872058 /nfs/dbraw/zinc/87/20/58/322872058.db2.gz NCJBHUPVKBQNKF-MELADBBJSA-N 1 0 219.372 3.814 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000252368428 135088108 /nfs/dbraw/zinc/08/81/08/135088108.db2.gz OLAHAFXTYZRJGW-BZPMIXESSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000252368430 135088219 /nfs/dbraw/zinc/08/82/19/135088219.db2.gz OLAHAFXTYZRJGW-DYEKYZERSA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000252370206 350911191 /nfs/dbraw/zinc/91/11/91/350911191.db2.gz XDOJPYNMECJMJR-AWEZNQCLSA-N 1 0 221.319 3.590 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000252370240 636788351 /nfs/dbraw/zinc/78/83/51/636788351.db2.gz XGKURBSDGFMMAO-INIZCTEOSA-N 1 0 231.383 3.884 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000252370241 636789585 /nfs/dbraw/zinc/78/95/85/636789585.db2.gz XGKURBSDGFMMAO-MRXNPFEDSA-N 1 0 231.383 3.884 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000252371385 322872021 /nfs/dbraw/zinc/87/20/21/322872021.db2.gz AIMKAIFNUJQJIV-JMSVASOKSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000252371386 384920468 /nfs/dbraw/zinc/92/04/68/384920468.db2.gz AIMKAIFNUJQJIV-XUJVJEKNSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000252372218 384920092 /nfs/dbraw/zinc/92/00/92/384920092.db2.gz HNVOHFWECYTKBI-DFBGVHRSSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000252372219 322872152 /nfs/dbraw/zinc/87/21/52/322872152.db2.gz HNVOHFWECYTKBI-UGFHNGPFSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1C ZINC000252385876 350911170 /nfs/dbraw/zinc/91/11/70/350911170.db2.gz MAPXVRYYUBKFCN-BZPMIXESSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252385877 363235346 /nfs/dbraw/zinc/23/53/46/363235346.db2.gz MAPXVRYYUBKFCN-YRGRVCCFSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000252387910 384921543 /nfs/dbraw/zinc/92/15/43/384921543.db2.gz BQKHZXMSYVVPOE-QJPTWQEYSA-N 1 0 225.401 3.703 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000252387912 384920333 /nfs/dbraw/zinc/92/03/33/384920333.db2.gz BQKHZXMSYVVPOE-TUAOUCFPSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000252388165 322872141 /nfs/dbraw/zinc/87/21/41/322872141.db2.gz CIMGCTNPVRRUAH-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000252388166 384920420 /nfs/dbraw/zinc/92/04/20/384920420.db2.gz CIMGCTNPVRRUAH-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000252388290 322872140 /nfs/dbraw/zinc/87/21/40/322872140.db2.gz DJQQMBTVOFAKQT-QJPTWQEYSA-N 1 0 249.354 3.501 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000252388292 384921889 /nfs/dbraw/zinc/92/18/89/384921889.db2.gz DJQQMBTVOFAKQT-SDDRHHMPSA-N 1 0 249.354 3.501 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cs1 ZINC000252391263 135088152 /nfs/dbraw/zinc/08/81/52/135088152.db2.gz QFWSOMTUCLTMGJ-JFGNBEQYSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cs1 ZINC000252391264 135088157 /nfs/dbraw/zinc/08/81/57/135088157.db2.gz QFWSOMTUCLTMGJ-SCVCMEIPSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000252411518 643075745 /nfs/dbraw/zinc/07/57/45/643075745.db2.gz MXPWONYLZTXMKB-BFHYXJOUSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000252411519 632625047 /nfs/dbraw/zinc/62/50/47/632625047.db2.gz MXPWONYLZTXMKB-MJBXVCDLSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCSC1 ZINC000252411664 384921768 /nfs/dbraw/zinc/92/17/68/384921768.db2.gz NEMNNWGWDGNAPD-RQJABVFESA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCSC1 ZINC000252411666 384922168 /nfs/dbraw/zinc/92/21/68/384922168.db2.gz NEMNNWGWDGNAPD-XJFOESAGSA-N 1 0 241.444 3.542 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252413910 323141308 /nfs/dbraw/zinc/14/13/08/323141308.db2.gz RSCXTZAFODBWQD-XDQVBPFNSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000252414024 535942637 /nfs/dbraw/zinc/94/26/37/535942637.db2.gz TWLJKKYSXDACNA-XQQFMLRXSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000252414026 644849298 /nfs/dbraw/zinc/84/92/98/644849298.db2.gz TWLJKKYSXDACNA-YNEHKIRRSA-N 1 0 223.360 3.625 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000252423494 635709588 /nfs/dbraw/zinc/70/95/88/635709588.db2.gz YGUQHACZELOCGP-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000252423495 635708729 /nfs/dbraw/zinc/70/87/29/635708729.db2.gz YGUQHACZELOCGP-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000252427090 322872420 /nfs/dbraw/zinc/87/24/20/322872420.db2.gz XDQPHOVTEIDZQF-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000252427091 322872318 /nfs/dbraw/zinc/87/23/18/322872318.db2.gz XDQPHOVTEIDZQF-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccc(O)c1 ZINC000252428788 322872422 /nfs/dbraw/zinc/87/24/22/322872422.db2.gz BAIIHEOBAKZPHB-IATRGZMQSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccc(O)c1 ZINC000252428789 322872417 /nfs/dbraw/zinc/87/24/17/322872417.db2.gz BAIIHEOBAKZPHB-RSUWNVLCSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)[C@H]1C ZINC000252431825 322871804 /nfs/dbraw/zinc/87/18/04/322871804.db2.gz QLPGBCPLIXQRTD-SUNKGSAMSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)[C@H]1C ZINC000252431826 322872160 /nfs/dbraw/zinc/87/21/60/322872160.db2.gz QLPGBCPLIXQRTD-UHIISALHSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1(C)CC1 ZINC000252432023 644849792 /nfs/dbraw/zinc/84/97/92/644849792.db2.gz UPDOIRMEUFZAEG-LPWJVIDDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000252444956 325687829 /nfs/dbraw/zinc/68/78/29/325687829.db2.gz IUGNCHCTOPEYOD-WQVGZBJRSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000252445128 325687839 /nfs/dbraw/zinc/68/78/39/325687839.db2.gz PETHUGNPIWSWEI-ZPJOPHOWSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000252450061 322872532 /nfs/dbraw/zinc/87/25/32/322872532.db2.gz BGAGTDRGWQIBDC-BFHYXJOUSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000252450062 322872496 /nfs/dbraw/zinc/87/24/96/322872496.db2.gz BGAGTDRGWQIBDC-MJBXVCDLSA-N 1 0 249.398 3.650 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000252455218 323531977 /nfs/dbraw/zinc/53/19/77/323531977.db2.gz PQGRRQXROONCDD-JIMOISOXSA-N 1 0 223.747 3.647 20 0 BHADRO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000252455219 322872542 /nfs/dbraw/zinc/87/25/42/322872542.db2.gz PQGRRQXROONCDD-OASPWFOLSA-N 1 0 223.747 3.647 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000252456921 584011747 /nfs/dbraw/zinc/01/17/47/584011747.db2.gz WHWPCUHKNUQRSV-IVZWLZJFSA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000252456922 584011981 /nfs/dbraw/zinc/01/19/81/584011981.db2.gz WHWPCUHKNUQRSV-LPEHRKFASA-N 1 0 240.416 3.845 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000252553011 541450267 /nfs/dbraw/zinc/45/02/67/541450267.db2.gz QUHNOUMKBBWTAQ-GUTXKFCHSA-N 1 0 246.398 3.873 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000252553012 541450254 /nfs/dbraw/zinc/45/02/54/541450254.db2.gz QUHNOUMKBBWTAQ-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252566667 541450463 /nfs/dbraw/zinc/45/04/63/541450463.db2.gz ZSSRHDUJSQWKIO-SNPRPXQTSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252566669 541450394 /nfs/dbraw/zinc/45/03/94/541450394.db2.gz ZSSRHDUJSQWKIO-YUELXQCFSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000252566738 541450176 /nfs/dbraw/zinc/45/01/76/541450176.db2.gz ZUZYDGGBOHGYJS-SNPRPXQTSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000252566739 541450168 /nfs/dbraw/zinc/45/01/68/541450168.db2.gz ZUZYDGGBOHGYJS-YUELXQCFSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000252589519 325689328 /nfs/dbraw/zinc/68/93/28/325689328.db2.gz BXVBJPFTEWLNQM-MKBNYLNASA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000252589520 325689345 /nfs/dbraw/zinc/68/93/45/325689345.db2.gz BXVBJPFTEWLNQM-OZVIIMIRSA-N 1 0 247.382 3.707 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H](C)C1 ZINC000252634719 644871688 /nfs/dbraw/zinc/87/16/88/644871688.db2.gz FCAQFZMAYGBWCR-ZQOJUYNGSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1C ZINC000252640171 644871877 /nfs/dbraw/zinc/87/18/77/644871877.db2.gz KRCPPQWXRFGQKJ-KMNQMVFYSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1C ZINC000252640172 644871531 /nfs/dbraw/zinc/87/15/31/644871531.db2.gz KRCPPQWXRFGQKJ-ZQOJUYNGSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000252642439 325689555 /nfs/dbraw/zinc/68/95/55/325689555.db2.gz MXSCOJYYZZFTPZ-DYEKYZERSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000252642440 325689538 /nfs/dbraw/zinc/68/95/38/325689538.db2.gz MXSCOJYYZZFTPZ-MBNYWOFBSA-N 1 0 247.407 3.654 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252646658 541451639 /nfs/dbraw/zinc/45/16/39/541451639.db2.gz SEHSMOWWRROFEE-GBIKHYSHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000252646659 541451665 /nfs/dbraw/zinc/45/16/65/541451665.db2.gz SEHSMOWWRROFEE-NRUUGDAUSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000252647408 325689607 /nfs/dbraw/zinc/68/96/07/325689607.db2.gz UDXRNGHITVNHKX-AVGNSLFASA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000252647409 325689523 /nfs/dbraw/zinc/68/95/23/325689523.db2.gz UDXRNGHITVNHKX-XQQFMLRXSA-N 1 0 249.423 3.900 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC000252649280 644871998 /nfs/dbraw/zinc/87/19/98/644871998.db2.gz WRBXMBHYEMZIFB-DHJNVWGISA-N 1 0 236.186 3.864 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252667895 388769579 /nfs/dbraw/zinc/76/95/79/388769579.db2.gz POPSUGGOLOWLFC-IMRBUKKESA-N 1 0 237.412 3.971 20 0 BHADRO CSCCCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252683850 388769885 /nfs/dbraw/zinc/76/98/85/388769885.db2.gz FHRZKCYHKWQXPS-ITGUQSILSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCCC(F)(F)F)C[C@@H](C)C1 ZINC000252688166 325690106 /nfs/dbraw/zinc/69/01/06/325690106.db2.gz NJSNQKGTOSVJAQ-URLYPYJESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2CCSCC2)C[C@@H](C)C1 ZINC000252688362 325690358 /nfs/dbraw/zinc/69/03/58/325690358.db2.gz OBUVVSBFMROOJU-IMRBUKKESA-N 1 0 241.444 3.544 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252691281 644880096 /nfs/dbraw/zinc/88/00/96/644880096.db2.gz XLQOCGDSKRTMQC-GDNZZTSVSA-N 1 0 229.433 3.542 20 0 BHADRO CSCCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252695939 388771462 /nfs/dbraw/zinc/77/14/62/388771462.db2.gz AZAVRRKZZVRNNB-ITGUQSILSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)C[C@@H](C)C1 ZINC000252696630 325690498 /nfs/dbraw/zinc/69/04/98/325690498.db2.gz BMUAMSGHOMVKLF-IMRBUKKESA-N 1 0 221.388 3.591 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252697806 644882473 /nfs/dbraw/zinc/88/24/73/644882473.db2.gz JMWZZPAYXQBGJO-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252697807 644881599 /nfs/dbraw/zinc/88/15/99/644881599.db2.gz JMWZZPAYXQBGJO-NRWUCQMLSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252697808 644882820 /nfs/dbraw/zinc/88/28/20/644882820.db2.gz JMWZZPAYXQBGJO-XHJNMGKDSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000252697809 644882269 /nfs/dbraw/zinc/88/22/69/644882269.db2.gz JMWZZPAYXQBGJO-ZJQBRPOHSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000252698201 323141501 /nfs/dbraw/zinc/14/15/01/323141501.db2.gz LQVQAYBAKHDBEZ-IHRRRGAJSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000252698202 325690548 /nfs/dbraw/zinc/69/05/48/325690548.db2.gz LQVQAYBAKHDBEZ-MGPQQGTHSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000252699734 325690443 /nfs/dbraw/zinc/69/04/43/325690443.db2.gz VYRRDXWWKHUPJX-BFHYXJOUSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000252699735 325690497 /nfs/dbraw/zinc/69/04/97/325690497.db2.gz VYRRDXWWKHUPJX-MELADBBJSA-N 1 0 249.398 3.738 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252700017 644885770 /nfs/dbraw/zinc/88/57/70/644885770.db2.gz XNCCATRQOWCAMB-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252700018 642890962 /nfs/dbraw/zinc/89/09/62/642890962.db2.gz XNCCATRQOWCAMB-XQHKEYJVSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1C ZINC000252706441 325690667 /nfs/dbraw/zinc/69/06/67/325690667.db2.gz UCMHWKNAMZYLHP-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)[C@H]1C ZINC000252706442 388772174 /nfs/dbraw/zinc/77/21/74/388772174.db2.gz UCMHWKNAMZYLHP-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C[C@H]1C ZINC000252707167 325691005 /nfs/dbraw/zinc/69/10/05/325691005.db2.gz WGZOQYDWPSXUMW-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C[C@H]1C ZINC000252707168 325691003 /nfs/dbraw/zinc/69/10/03/325691003.db2.gz WGZOQYDWPSXUMW-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252708455 388771457 /nfs/dbraw/zinc/77/14/57/388771457.db2.gz ACUMCLFCACWORM-GWOFURMSSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000252708456 388771418 /nfs/dbraw/zinc/77/14/18/388771418.db2.gz ACUMCLFCACWORM-LNFKQOIKSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252708457 388772303 /nfs/dbraw/zinc/77/23/03/388772303.db2.gz ACUMCLFCACWORM-ZRUFSTJUSA-N 1 0 237.309 3.742 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000252708553 325690968 /nfs/dbraw/zinc/69/09/68/325690968.db2.gz AKFYNTKDXDXFTQ-BFHYXJOUSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000252708554 388771423 /nfs/dbraw/zinc/77/14/23/388771423.db2.gz AKFYNTKDXDXFTQ-MGPQQGTHSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000252708935 385178311 /nfs/dbraw/zinc/17/83/11/385178311.db2.gz BNALIOGXXHAEDT-PUYPPJJSSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000252708936 322942956 /nfs/dbraw/zinc/94/29/56/322942956.db2.gz BNALIOGXXHAEDT-UDZFHETQSA-N 1 0 235.758 3.573 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000252708943 322942863 /nfs/dbraw/zinc/94/28/63/322942863.db2.gz BNUZLJAANAWIES-FQUUOJAGSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000252708944 322942891 /nfs/dbraw/zinc/94/28/91/322942891.db2.gz BNUZLJAANAWIES-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000252708945 322942965 /nfs/dbraw/zinc/94/29/65/322942965.db2.gz BNUZLJAANAWIES-XJFOESAGSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CCSCC1 ZINC000252709011 325691118 /nfs/dbraw/zinc/69/11/18/325691118.db2.gz BSWZAQICTNNSMQ-IMRBUKKESA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000252709149 325690994 /nfs/dbraw/zinc/69/09/94/325690994.db2.gz CDABONSLKBRUKD-JHJVBQTASA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000252709150 388771082 /nfs/dbraw/zinc/77/10/82/388771082.db2.gz CDABONSLKBRUKD-UPJWGTAASA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000252709231 388772054 /nfs/dbraw/zinc/77/20/54/388772054.db2.gz CJEJRSLDRCNNSA-NFAWXSAZSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000252709232 388771267 /nfs/dbraw/zinc/77/12/67/388771267.db2.gz CJEJRSLDRCNNSA-UMVBOHGHSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H]1C ZINC000252709308 325691049 /nfs/dbraw/zinc/69/10/49/325691049.db2.gz COWZWQAETLIGCL-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H]1C ZINC000252709309 325690992 /nfs/dbraw/zinc/69/09/92/325690992.db2.gz COWZWQAETLIGCL-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000252709325 644887245 /nfs/dbraw/zinc/88/72/45/644887245.db2.gz CQKFPDDSWBMZNR-HZSPNIEDSA-N 1 0 241.444 3.995 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000252709326 644887685 /nfs/dbraw/zinc/88/76/85/644887685.db2.gz CQKFPDDSWBMZNR-MGPQQGTHSA-N 1 0 241.444 3.995 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000252709359 385180651 /nfs/dbraw/zinc/18/06/51/385180651.db2.gz CSEULXMXGALFKS-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000252709360 322943059 /nfs/dbraw/zinc/94/30/59/322943059.db2.gz CSEULXMXGALFKS-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCSC1 ZINC000252709373 322943036 /nfs/dbraw/zinc/94/30/36/322943036.db2.gz CSZBOEDSRXDDJM-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCSC1 ZINC000252709374 385180324 /nfs/dbraw/zinc/18/03/24/385180324.db2.gz CSZBOEDSRXDDJM-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000252709425 323141685 /nfs/dbraw/zinc/14/16/85/323141685.db2.gz CVVJZIGBIIZKSO-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000252709426 322943080 /nfs/dbraw/zinc/94/30/80/322943080.db2.gz CVVJZIGBIIZKSO-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(C)C ZINC000252709643 322943039 /nfs/dbraw/zinc/94/30/39/322943039.db2.gz DKHGTDZCFCZHNW-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(C)C ZINC000252709644 385186623 /nfs/dbraw/zinc/18/66/23/385186623.db2.gz DKHGTDZCFCZHNW-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000252709656 388773284 /nfs/dbraw/zinc/77/32/84/388773284.db2.gz DKZDECZFPBYDHO-RFGFWPKPSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000252709657 388774139 /nfs/dbraw/zinc/77/41/39/388774139.db2.gz DKZDECZFPBYDHO-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000252709676 388773135 /nfs/dbraw/zinc/77/31/35/388773135.db2.gz DMHIHUJIALPYJH-AEGPPILISA-N 1 0 217.356 3.711 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000252709677 325691366 /nfs/dbraw/zinc/69/13/66/325691366.db2.gz DMHIHUJIALPYJH-QEJZJMRPSA-N 1 0 217.356 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cncs1 ZINC000252709690 325691213 /nfs/dbraw/zinc/69/12/13/325691213.db2.gz DNWLNOSQOFUUPR-SRRSOLGSSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cncs1 ZINC000252709691 325691218 /nfs/dbraw/zinc/69/12/18/325691218.db2.gz DNWLNOSQOFUUPR-XZUYRWCXSA-N 1 0 238.400 3.618 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000252709727 642893467 /nfs/dbraw/zinc/89/34/67/642893467.db2.gz DRCOJCVIDFTEEF-ADEWGFFLSA-N 1 0 241.425 3.683 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000252709728 644888350 /nfs/dbraw/zinc/88/83/50/644888350.db2.gz DRCOJCVIDFTEEF-YUSALJHKSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000252709749 538099740 /nfs/dbraw/zinc/09/97/40/538099740.db2.gz DSPKMKROSZLFOG-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000252709750 538099859 /nfs/dbraw/zinc/09/98/59/538099859.db2.gz DSPKMKROSZLFOG-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000252709843 322943077 /nfs/dbraw/zinc/94/30/77/322943077.db2.gz DZFNXVHWLPFQSF-IHRRRGAJSA-N 1 0 219.372 3.957 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000252709844 385186574 /nfs/dbraw/zinc/18/65/74/385186574.db2.gz DZFNXVHWLPFQSF-MELADBBJSA-N 1 0 219.372 3.957 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c(C)s1 ZINC000252709953 325691381 /nfs/dbraw/zinc/69/13/81/325691381.db2.gz FHOWHOZOJNGXLE-QRTLGDNMSA-N 1 0 223.385 3.672 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c(C)s1 ZINC000252709954 387235944 /nfs/dbraw/zinc/23/59/44/387235944.db2.gz FHOWHOZOJNGXLE-UBHAPETDSA-N 1 0 223.385 3.672 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000252710089 388772888 /nfs/dbraw/zinc/77/28/88/388772888.db2.gz FREOORZKNAZCDQ-BFHYXJOUSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000252710090 325691214 /nfs/dbraw/zinc/69/12/14/325691214.db2.gz FREOORZKNAZCDQ-MGPQQGTHSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)CCSC ZINC000252710323 643093557 /nfs/dbraw/zinc/09/35/57/643093557.db2.gz GIJIJKXBJVDYSR-XQQFMLRXSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)CCSC ZINC000252710324 643093352 /nfs/dbraw/zinc/09/33/52/643093352.db2.gz GIJIJKXBJVDYSR-YNEHKIRRSA-N 1 0 231.449 3.932 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000252710442 325690511 /nfs/dbraw/zinc/69/05/11/325690511.db2.gz GRRUXKFSYDAELW-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000252710443 325690409 /nfs/dbraw/zinc/69/04/09/325690409.db2.gz GRRUXKFSYDAELW-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000252710493 388773189 /nfs/dbraw/zinc/77/31/89/388773189.db2.gz GVJWJEDHMZKHJF-GYSYKLTISA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000252710494 388773173 /nfs/dbraw/zinc/77/31/73/388773173.db2.gz GVJWJEDHMZKHJF-JTNHKYCSSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000252710584 135099639 /nfs/dbraw/zinc/09/96/39/135099639.db2.gz HCEBYTRRHSJFIY-FOCJUVANSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000252710585 135099440 /nfs/dbraw/zinc/09/94/40/135099440.db2.gz HCEBYTRRHSJFIY-IATRGZMQSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000252710586 135099751 /nfs/dbraw/zinc/09/97/51/135099751.db2.gz HCEBYTRRHSJFIY-JXFSHQFZSA-N 1 0 229.367 3.871 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000252710692 385195581 /nfs/dbraw/zinc/19/55/81/385195581.db2.gz HKDWCUVAOVLDFN-BFHYXJOUSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000252710693 322943202 /nfs/dbraw/zinc/94/32/02/322943202.db2.gz HKDWCUVAOVLDFN-MELADBBJSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000252710730 388773659 /nfs/dbraw/zinc/77/36/59/388773659.db2.gz HNTYBLKSIABTSN-LZWOXQAQSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000252710731 388774186 /nfs/dbraw/zinc/77/41/86/388774186.db2.gz HNTYBLKSIABTSN-SQWLQELKSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000252710806 385197313 /nfs/dbraw/zinc/19/73/13/385197313.db2.gz HSPUKPPQSMUMBO-PGUXBMHVSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000252710807 385196045 /nfs/dbraw/zinc/19/60/45/385196045.db2.gz HSPUKPPQSMUMBO-RWSFTLGLSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)Cc1cccs1 ZINC000252710808 322943183 /nfs/dbraw/zinc/94/31/83/322943183.db2.gz HSQAASNVSHNFRV-AGIUHOORSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)Cc1cccs1 ZINC000252710809 322943167 /nfs/dbraw/zinc/94/31/67/322943167.db2.gz HSQAASNVSHNFRV-FRRDWIJNSA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000252711380 325691598 /nfs/dbraw/zinc/69/15/98/325691598.db2.gz JJAGTERGUWTADN-BNOWGMLFSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000252711381 325691527 /nfs/dbraw/zinc/69/15/27/325691527.db2.gz JJAGTERGUWTADN-MRVWCRGKSA-N 1 0 237.412 3.847 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000252711382 322943260 /nfs/dbraw/zinc/94/32/60/322943260.db2.gz JJCPTGBVAYFOQK-IJEWVQPXSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000252711383 322943321 /nfs/dbraw/zinc/94/33/21/322943321.db2.gz JJCPTGBVAYFOQK-YCPHGPKFSA-N 1 0 231.383 3.562 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000252711390 322943333 /nfs/dbraw/zinc/94/33/33/322943333.db2.gz JJLOLXMTKALDPD-CRWXNKLISA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000252711391 323141662 /nfs/dbraw/zinc/14/16/62/323141662.db2.gz JJLOLXMTKALDPD-DGAVXFQQSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000252711392 322943287 /nfs/dbraw/zinc/94/32/87/322943287.db2.gz JJLOLXMTKALDPD-REWJHTLYSA-N 1 0 241.419 3.604 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000252711465 644888419 /nfs/dbraw/zinc/88/84/19/644888419.db2.gz JPUZUUBYWQBRJN-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000252711466 644888030 /nfs/dbraw/zinc/88/80/30/644888030.db2.gz JPUZUUBYWQBRJN-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CCC1 ZINC000252711500 388773116 /nfs/dbraw/zinc/77/31/16/388773116.db2.gz JRZNGQQZMUELKG-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CCC1 ZINC000252711501 388773899 /nfs/dbraw/zinc/77/38/99/388773899.db2.gz JRZNGQQZMUELKG-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000252711694 385212834 /nfs/dbraw/zinc/21/28/34/385212834.db2.gz KHWSNFIBTFUUPV-UZGDPCLZSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000252711695 322943475 /nfs/dbraw/zinc/94/34/75/322943475.db2.gz KHWSNFIBTFUUPV-WVWOOGAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000252711696 322943491 /nfs/dbraw/zinc/94/34/91/322943491.db2.gz KHWSNFIBTFUUPV-WZRBSPASSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC1CCC1 ZINC000252711719 538100212 /nfs/dbraw/zinc/10/02/12/538100212.db2.gz KKCVNCIRYUXUBY-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC1CCC1 ZINC000252711720 538100182 /nfs/dbraw/zinc/10/01/82/538100182.db2.gz KKCVNCIRYUXUBY-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)CSC ZINC000252711883 322943506 /nfs/dbraw/zinc/94/35/06/322943506.db2.gz KWGSULLSKWHLHI-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)CSC ZINC000252711884 385206586 /nfs/dbraw/zinc/20/65/86/385206586.db2.gz KWGSULLSKWHLHI-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCSC)C1 ZINC000252711909 641205994 /nfs/dbraw/zinc/20/59/94/641205994.db2.gz KXMZODIWUCRHHB-JHJVBQTASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CCSC)C1 ZINC000252711910 644888053 /nfs/dbraw/zinc/88/80/53/644888053.db2.gz KXMZODIWUCRHHB-UPJWGTAASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000252711943 325691490 /nfs/dbraw/zinc/69/14/90/325691490.db2.gz KZOGPCDNFOBUIL-DBIOUOCHSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CCC1 ZINC000252712055 323141604 /nfs/dbraw/zinc/14/16/04/323141604.db2.gz LINRZAWURLWWDE-BYNQJWBRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccoc1 ZINC000252712138 388773595 /nfs/dbraw/zinc/77/35/95/388773595.db2.gz LOLCLLSHPFWDGK-CZXHOFHRSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccoc1 ZINC000252712139 322943470 /nfs/dbraw/zinc/94/34/70/322943470.db2.gz LOLCLLSHPFWDGK-KZVDOYCCSA-N 1 0 221.344 3.755 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252712154 322943474 /nfs/dbraw/zinc/94/34/74/322943474.db2.gz LPPFLVKIJRVPCM-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252712155 322943459 /nfs/dbraw/zinc/94/34/59/322943459.db2.gz LPPFLVKIJRVPCM-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000252712192 388773713 /nfs/dbraw/zinc/77/37/13/388773713.db2.gz LSYUHEVQJLEXPP-NQBHXWOUSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccsc1 ZINC000252712193 385212666 /nfs/dbraw/zinc/21/26/66/385212666.db2.gz LSYUHEVQJLEXPP-WZRBSPASSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1SCC ZINC000252712214 388774196 /nfs/dbraw/zinc/77/41/96/388774196.db2.gz LURORRHVULJVJS-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000252712215 388772838 /nfs/dbraw/zinc/77/28/38/388772838.db2.gz LURORRHVULJVJS-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000252712256 135100917 /nfs/dbraw/zinc/10/09/17/135100917.db2.gz LYIFWUODRDKUPB-OSMZGAPFSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000252712257 135100457 /nfs/dbraw/zinc/10/04/57/135100457.db2.gz LYIFWUODRDKUPB-QKCSRTOESA-N 1 0 221.319 3.522 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000252712376 388773216 /nfs/dbraw/zinc/77/32/16/388773216.db2.gz MHBWFXHSSLQLFN-AGIUHOORSA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252712377 388773000 /nfs/dbraw/zinc/77/30/00/388773000.db2.gz MHBWFXHSSLQLFN-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000252712668 322943524 /nfs/dbraw/zinc/94/35/24/322943524.db2.gz NAFSAKDWOMKYJI-XQQFMLRXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000252712669 322943432 /nfs/dbraw/zinc/94/34/32/322943432.db2.gz NAFSAKDWOMKYJI-YNEHKIRRSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000252712758 643097240 /nfs/dbraw/zinc/09/72/40/643097240.db2.gz NHKFCYOGCKXYTR-XQQFMLRXSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000252712759 643096148 /nfs/dbraw/zinc/09/61/48/643096148.db2.gz NHKFCYOGCKXYTR-YNEHKIRRSA-N 1 0 237.362 3.781 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CCC1 ZINC000252712935 325691997 /nfs/dbraw/zinc/69/19/97/325691997.db2.gz NUEVQJHMRBOSQJ-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CCC1 ZINC000252712936 388772983 /nfs/dbraw/zinc/77/29/83/388772983.db2.gz NUEVQJHMRBOSQJ-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CCC1 ZINC000252712937 388774015 /nfs/dbraw/zinc/77/40/15/388774015.db2.gz NUEVQJHMRBOSQJ-KZVDOYCCSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000252713259 642313224 /nfs/dbraw/zinc/31/32/24/642313224.db2.gz OSCXQLCGBVIWDR-QJPTWQEYSA-N 1 0 231.449 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000252713260 644888287 /nfs/dbraw/zinc/88/82/87/644888287.db2.gz OSCXQLCGBVIWDR-TUAOUCFPSA-N 1 0 231.449 3.931 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1 ZINC000252713302 135100813 /nfs/dbraw/zinc/10/08/13/135100813.db2.gz OUKMFOHJMWUKHR-IPYPFGDCSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000252713339 388773887 /nfs/dbraw/zinc/77/38/87/388773887.db2.gz OXKUHMPGLJCCJT-SNPRPXQTSA-N 1 0 217.356 3.773 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000252713340 388772972 /nfs/dbraw/zinc/77/29/72/388772972.db2.gz OXKUHMPGLJCCJT-YUELXQCFSA-N 1 0 217.356 3.773 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000252713654 322943639 /nfs/dbraw/zinc/94/36/39/322943639.db2.gz PVLQKKBMRMSCQQ-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000252713655 322943607 /nfs/dbraw/zinc/94/36/07/322943607.db2.gz PVLQKKBMRMSCQQ-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000252713671 644888184 /nfs/dbraw/zinc/88/81/84/644888184.db2.gz PXCFORWKNYLSDV-VNHYZAJKSA-N 1 0 219.372 3.654 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cncs1 ZINC000252713693 388774723 /nfs/dbraw/zinc/77/47/23/388774723.db2.gz PZEJLCNLTAGOHE-KKOKHZNYSA-N 1 0 238.400 3.618 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)[C@H](C)OC ZINC000252713867 388775627 /nfs/dbraw/zinc/77/56/27/388775627.db2.gz QJHZIRBYDYJFJF-IHRRRGAJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)[C@H](C)OC ZINC000252713868 325692178 /nfs/dbraw/zinc/69/21/78/325692178.db2.gz QJHZIRBYDYJFJF-RDBSUJKOSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cncs1 ZINC000252713873 388774976 /nfs/dbraw/zinc/77/49/76/388774976.db2.gz QJVRKPLHLSMIBA-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cncs1 ZINC000252713874 325692099 /nfs/dbraw/zinc/69/20/99/325692099.db2.gz QJVRKPLHLSMIBA-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713941 370119644 /nfs/dbraw/zinc/11/96/44/370119644.db2.gz QOTKZLYMJQEUQT-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713942 370119946 /nfs/dbraw/zinc/11/99/46/370119946.db2.gz QOTKZLYMJQEUQT-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CCCCC1 ZINC000252714177 388775624 /nfs/dbraw/zinc/77/56/24/388775624.db2.gz RFHQQRAJHMLVLC-BNOWGMLFSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CCCCC1 ZINC000252714178 325692145 /nfs/dbraw/zinc/69/21/45/325692145.db2.gz RFHQQRAJHMLVLC-XBFCOCLRSA-N 1 0 209.377 3.591 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252714307 635712396 /nfs/dbraw/zinc/71/23/96/635712396.db2.gz RQENDZXHLGSJSQ-REWJHTLYSA-N 1 0 241.444 3.686 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252714308 635710971 /nfs/dbraw/zinc/71/09/71/635710971.db2.gz RQENDZXHLGSJSQ-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252714309 644888590 /nfs/dbraw/zinc/88/85/90/644888590.db2.gz RQENDZXHLGSJSQ-XDQVBPFNSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252714427 388774950 /nfs/dbraw/zinc/77/49/50/388774950.db2.gz RXTIBMYQSMONAS-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252714428 388775599 /nfs/dbraw/zinc/77/55/99/388775599.db2.gz RXTIBMYQSMONAS-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000252714477 135101767 /nfs/dbraw/zinc/10/17/67/135101767.db2.gz SBUWKZFLUBOZRN-HFAKWTLXSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000252714478 135101681 /nfs/dbraw/zinc/10/16/81/135101681.db2.gz SBUWKZFLUBOZRN-ZETOZRRWSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1cncs1 ZINC000252714572 325692171 /nfs/dbraw/zinc/69/21/71/325692171.db2.gz SHYCGIMXBJDUES-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000252714779 385225109 /nfs/dbraw/zinc/22/51/09/385225109.db2.gz SXACCMZGEUWJHA-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000252714780 322943859 /nfs/dbraw/zinc/94/38/59/322943859.db2.gz SXACCMZGEUWJHA-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)s1 ZINC000252714932 322943852 /nfs/dbraw/zinc/94/38/52/322943852.db2.gz UBYHBNDSHSTJIW-OUAUKWLOSA-N 1 0 223.385 3.617 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)s1 ZINC000252714933 322943863 /nfs/dbraw/zinc/94/38/63/322943863.db2.gz UBYHBNDSHSTJIW-VWYCJHECSA-N 1 0 223.385 3.617 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000252715017 322943842 /nfs/dbraw/zinc/94/38/42/322943842.db2.gz UILCMECIFBFTAK-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000252715018 322943865 /nfs/dbraw/zinc/94/38/65/322943865.db2.gz UILCMECIFBFTAK-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000252715123 388774911 /nfs/dbraw/zinc/77/49/11/388774911.db2.gz URPQISYANQRGPB-HZSPNIEDSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000252715124 388775526 /nfs/dbraw/zinc/77/55/26/388775526.db2.gz URPQISYANQRGPB-RDBSUJKOSA-N 1 0 217.356 3.610 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000252715165 322943838 /nfs/dbraw/zinc/94/38/38/322943838.db2.gz UVFDXUNJZOTYCV-BFVZDQMLSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000252715166 385225272 /nfs/dbraw/zinc/22/52/72/385225272.db2.gz UVFDXUNJZOTYCV-RULNRJAQSA-N 1 0 235.758 3.573 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000252715245 346930226 /nfs/dbraw/zinc/93/02/26/346930226.db2.gz VAINQPNVQSNXNI-NQBHXWOUSA-N 1 0 239.384 3.604 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1C ZINC000252715254 322943929 /nfs/dbraw/zinc/94/39/29/322943929.db2.gz VBOUSRFSGKKZLD-IPYPFGDCSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1C ZINC000252715255 322943851 /nfs/dbraw/zinc/94/38/51/322943851.db2.gz VBOUSRFSGKKZLD-VNHYZAJKSA-N 1 0 217.356 3.610 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCCS1 ZINC000252715299 385225220 /nfs/dbraw/zinc/22/52/20/385225220.db2.gz VEPUISAQMAECFM-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCCS1 ZINC000252715300 385225292 /nfs/dbraw/zinc/22/52/92/385225292.db2.gz VEPUISAQMAECFM-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1CCC1 ZINC000252715301 322943910 /nfs/dbraw/zinc/94/39/10/322943910.db2.gz VESOJYFOVCJUKF-BYNQJWBRSA-N 1 0 209.377 3.589 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252715358 644889675 /nfs/dbraw/zinc/88/96/75/644889675.db2.gz VKBTYEUHIPFDAJ-GDNZZTSVSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000252715400 135101919 /nfs/dbraw/zinc/10/19/19/135101919.db2.gz VMASKAAOETVVAK-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000252715401 135101446 /nfs/dbraw/zinc/10/14/46/135101446.db2.gz VMASKAAOETVVAK-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000252715418 635712305 /nfs/dbraw/zinc/71/23/05/635712305.db2.gz VMRBGQVLLLHFIB-GARJFASQSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000252715419 643096369 /nfs/dbraw/zinc/09/63/69/643096369.db2.gz VMRBGQVLLLHFIB-HBNTYKKESA-N 1 0 240.778 3.820 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](CC)C1CC1 ZINC000252715783 325692570 /nfs/dbraw/zinc/69/25/70/325692570.db2.gz WSLRFPBONNYWPM-HZSPNIEDSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)C1CC1 ZINC000252715784 385224632 /nfs/dbraw/zinc/22/46/32/385224632.db2.gz WSLRFPBONNYWPM-MGPQQGTHSA-N 1 0 241.444 3.829 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c(C)c1 ZINC000252715999 322944106 /nfs/dbraw/zinc/94/41/06/322944106.db2.gz XIUFLRYRIOQMJG-KWCYVHTRSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c(C)c1 ZINC000252716000 385225141 /nfs/dbraw/zinc/22/51/41/385225141.db2.gz XIUFLRYRIOQMJG-XBFCOCLRSA-N 1 0 217.356 3.610 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000252716130 538101019 /nfs/dbraw/zinc/10/10/19/538101019.db2.gz XQMYJLLUWDSRKK-BZPMIXESSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000252716131 538100883 /nfs/dbraw/zinc/10/08/83/538100883.db2.gz XQMYJLLUWDSRKK-YRGRVCCFSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C)cc1 ZINC000252716132 325692515 /nfs/dbraw/zinc/69/25/15/325692515.db2.gz XQSDLQNFKNTLEI-SNPRPXQTSA-N 1 0 217.356 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(C)cc1 ZINC000252716133 325692435 /nfs/dbraw/zinc/69/24/35/325692435.db2.gz XQSDLQNFKNTLEI-YUELXQCFSA-N 1 0 217.356 3.692 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC[C@H]1C ZINC000252716171 538661198 /nfs/dbraw/zinc/66/11/98/538661198.db2.gz XTQVUFPGWUXEMV-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252716172 538100914 /nfs/dbraw/zinc/10/09/14/538100914.db2.gz XTQVUFPGWUXEMV-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000252716196 385228727 /nfs/dbraw/zinc/22/87/27/385228727.db2.gz XWKWHQGYCINNAR-TYNCELHUSA-N 1 0 217.356 3.556 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000252716197 385227353 /nfs/dbraw/zinc/22/73/53/385227353.db2.gz XWKWHQGYCINNAR-XUJVJEKNSA-N 1 0 217.356 3.556 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000252716216 388774793 /nfs/dbraw/zinc/77/47/93/388774793.db2.gz XYBJPBAQZWQPFN-UPJWGTAASA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000252716217 325692547 /nfs/dbraw/zinc/69/25/47/325692547.db2.gz XYBJPBAQZWQPFN-XQQFMLRXSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](SC)C2)C1 ZINC000252716386 644889936 /nfs/dbraw/zinc/88/99/36/644889936.db2.gz YIGFOSDUEMNOMG-RFGFWPKPSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](SC)C2)C1 ZINC000252716387 644889444 /nfs/dbraw/zinc/88/94/44/644889444.db2.gz YIGFOSDUEMNOMG-ZOBORPQBSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252716394 644889325 /nfs/dbraw/zinc/88/93/25/644889325.db2.gz YISVKNWHUQIKDS-DGFSRKRXSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252716395 644890034 /nfs/dbraw/zinc/89/00/34/644890034.db2.gz YISVKNWHUQIKDS-YVLXSGLVSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1C ZINC000252716413 325692476 /nfs/dbraw/zinc/69/24/76/325692476.db2.gz YLABAMSKHYUAEM-KWCYVHTRSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1C ZINC000252716414 325692358 /nfs/dbraw/zinc/69/23/58/325692358.db2.gz YLABAMSKHYUAEM-XBFCOCLRSA-N 1 0 217.356 3.610 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252716571 322944138 /nfs/dbraw/zinc/94/41/38/322944138.db2.gz YUCZNDCAXXZISN-KCXAZCMYSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252716572 322944095 /nfs/dbraw/zinc/94/40/95/322944095.db2.gz YUCZNDCAXXZISN-WQVCFCJDSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000252716627 388775282 /nfs/dbraw/zinc/77/52/82/388775282.db2.gz YXVCWTCRBUGPFU-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000252716628 322944148 /nfs/dbraw/zinc/94/41/48/322944148.db2.gz YXVCWTCRBUGPFU-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCSC1 ZINC000252716666 322944140 /nfs/dbraw/zinc/94/41/40/322944140.db2.gz ZBFNVJZWAXHPRU-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCCSC1 ZINC000252716667 385228587 /nfs/dbraw/zinc/22/85/87/385228587.db2.gz ZBFNVJZWAXHPRU-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CSc3ccccc32)C1 ZINC000252716815 135102736 /nfs/dbraw/zinc/10/27/36/135102736.db2.gz ZFANBQGQQJNCHI-MDZLAQPJSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CSc3ccccc32)C1 ZINC000252716816 135102342 /nfs/dbraw/zinc/10/23/42/135102342.db2.gz ZFANBQGQQJNCHI-WZRBSPASSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CSCc3ccccc32)C1 ZINC000252716894 538101104 /nfs/dbraw/zinc/10/11/04/538101104.db2.gz ZLZXRHKQFFNLTF-KYOSRNDESA-N 1 0 247.407 3.753 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CSCc3ccccc32)C1 ZINC000252716895 538101101 /nfs/dbraw/zinc/10/11/01/538101101.db2.gz ZLZXRHKQFFNLTF-ZLDLUXBVSA-N 1 0 247.407 3.753 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000252717091 385228566 /nfs/dbraw/zinc/22/85/66/385228566.db2.gz ZTXHPPPCEZQRAH-GZBFAFLISA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000252717092 322944098 /nfs/dbraw/zinc/94/40/98/322944098.db2.gz ZTXHPPPCEZQRAH-UMVBOHGHSA-N 1 0 249.398 3.787 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000252717140 325692706 /nfs/dbraw/zinc/69/27/06/325692706.db2.gz ZVZRNVJIQASRME-IPYPFGDCSA-N 1 0 247.382 3.782 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000252717142 325692698 /nfs/dbraw/zinc/69/26/98/325692698.db2.gz ZVZRNVJIQASRME-VNHYZAJKSA-N 1 0 247.382 3.782 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000252717196 325692791 /nfs/dbraw/zinc/69/27/91/325692791.db2.gz ZYOFLVRBYFATAZ-IPYPFGDCSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000252717198 388775206 /nfs/dbraw/zinc/77/52/06/388775206.db2.gz ZYOFLVRBYFATAZ-VNHYZAJKSA-N 1 0 217.356 3.610 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccoc1 ZINC000252717241 325692804 /nfs/dbraw/zinc/69/28/04/325692804.db2.gz ZZXKEHPBBMTJEF-NQBHXWOUSA-N 1 0 207.317 3.509 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccoc1 ZINC000252717242 322944093 /nfs/dbraw/zinc/94/40/93/322944093.db2.gz ZZXKEHPBBMTJEF-WZRBSPASSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252722762 388776617 /nfs/dbraw/zinc/77/66/17/388776617.db2.gz RPOXAGGMKIZOAO-ONERCXAPSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252722763 325692925 /nfs/dbraw/zinc/69/29/25/325692925.db2.gz RPOXAGGMKIZOAO-WKPIXPDZSA-N 1 0 249.785 3.585 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CC ZINC000252725356 387237867 /nfs/dbraw/zinc/23/78/67/387237867.db2.gz AGUIGGNDBNKDRD-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC ZINC000252725357 325693047 /nfs/dbraw/zinc/69/30/47/325693047.db2.gz AGUIGGNDBNKDRD-JHJVBQTASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000252725460 538101187 /nfs/dbraw/zinc/10/11/87/538101187.db2.gz IVVYJUFJIMNFSS-JLLWLGSASA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000252725461 538101144 /nfs/dbraw/zinc/10/11/44/538101144.db2.gz IVVYJUFJIMNFSS-YUSALJHKSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000252726805 388776273 /nfs/dbraw/zinc/77/62/73/388776273.db2.gz AHOAHRNVKFFOHS-PUYPPJJSSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000252726806 325692986 /nfs/dbraw/zinc/69/29/86/325692986.db2.gz AHOAHRNVKFFOHS-UDZFHETQSA-N 1 0 235.758 3.573 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@H]1C ZINC000252728238 325693046 /nfs/dbraw/zinc/69/30/46/325693046.db2.gz ALHXLSHHLZHIMW-NQBHXWOUSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000252728239 388777192 /nfs/dbraw/zinc/77/71/92/388777192.db2.gz ALHXLSHHLZHIMW-WZRBSPASSA-N 1 0 237.774 3.517 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000252728240 388776775 /nfs/dbraw/zinc/77/67/75/388776775.db2.gz ALWYONMWMDLJIK-GARJFASQSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000252728241 388776891 /nfs/dbraw/zinc/77/68/91/388776891.db2.gz ALWYONMWMDLJIK-HBNTYKKESA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000252728334 636880819 /nfs/dbraw/zinc/88/08/19/636880819.db2.gz AYIKOKHOQSCAAY-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000252728335 636881962 /nfs/dbraw/zinc/88/19/62/636881962.db2.gz AYIKOKHOQSCAAY-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000252728790 388776262 /nfs/dbraw/zinc/77/62/62/388776262.db2.gz CVQHZCNTRYKSSN-NOLJZWGESA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000252728791 325693267 /nfs/dbraw/zinc/69/32/67/325693267.db2.gz CVQHZCNTRYKSSN-XNRPHZJLSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H]1C ZINC000252729200 644892044 /nfs/dbraw/zinc/89/20/44/644892044.db2.gz FOTRJNFCQFJSIU-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252729201 644891256 /nfs/dbraw/zinc/89/12/56/644891256.db2.gz FOTRJNFCQFJSIU-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000252729291 388776969 /nfs/dbraw/zinc/77/69/69/388776969.db2.gz GAZAWEVJYYKBPH-MRTMQBJTSA-N 1 0 241.787 3.634 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000252729292 325693316 /nfs/dbraw/zinc/69/33/16/325693316.db2.gz GAZAWEVJYYKBPH-WEDXCCLWSA-N 1 0 241.787 3.634 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)s1 ZINC000252729400 538101288 /nfs/dbraw/zinc/10/12/88/538101288.db2.gz GODRASFMUJUTAG-CKYFFXLPSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)s1 ZINC000252729401 538101285 /nfs/dbraw/zinc/10/12/85/538101285.db2.gz GODRASFMUJUTAG-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000252729414 325693200 /nfs/dbraw/zinc/69/32/00/325693200.db2.gz GPLCKGYSJZMNLT-IHRRRGAJSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000252729415 388776839 /nfs/dbraw/zinc/77/68/39/388776839.db2.gz GPLCKGYSJZMNLT-MGPQQGTHSA-N 1 0 235.371 3.769 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252730469 644892064 /nfs/dbraw/zinc/89/20/64/644892064.db2.gz LMXOFXWSAUHQSA-AAVRWANBSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252730470 644892150 /nfs/dbraw/zinc/89/21/50/644892150.db2.gz LMXOFXWSAUHQSA-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252730471 644891197 /nfs/dbraw/zinc/89/11/97/644891197.db2.gz LMXOFXWSAUHQSA-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252730476 388777065 /nfs/dbraw/zinc/77/70/65/388777065.db2.gz LNZHUWCIFDERNX-IHRRRGAJSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252730477 322944664 /nfs/dbraw/zinc/94/46/64/322944664.db2.gz LNZHUWCIFDERNX-MGPQQGTHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000252730572 385240967 /nfs/dbraw/zinc/24/09/67/385240967.db2.gz LZKKUBQACLHOFU-TYNCELHUSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000252730573 322944610 /nfs/dbraw/zinc/94/46/10/322944610.db2.gz LZKKUBQACLHOFU-XUJVJEKNSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252731120 385264282 /nfs/dbraw/zinc/26/42/82/385264282.db2.gz OJTAHMWRQJHYCS-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252731121 385264231 /nfs/dbraw/zinc/26/42/31/385264231.db2.gz OJTAHMWRQJHYCS-XQHKEYJVSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CC1 ZINC000252731305 325693481 /nfs/dbraw/zinc/69/34/81/325693481.db2.gz PGDHSEWPGJHKLJ-MRVWCRGKSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CC1 ZINC000252731306 325693469 /nfs/dbraw/zinc/69/34/69/325693469.db2.gz PGDHSEWPGJHKLJ-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C ZINC000252731353 644893093 /nfs/dbraw/zinc/89/30/93/644893093.db2.gz PMVYOYSEBJDFEG-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C ZINC000252731354 644893142 /nfs/dbraw/zinc/89/31/42/644893142.db2.gz PMVYOYSEBJDFEG-UTUOFQBUSA-N 1 0 229.433 3.685 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000252731411 322945022 /nfs/dbraw/zinc/94/50/22/322945022.db2.gz PUPCMJYEHUGBCJ-MDZLAQPJSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)o1 ZINC000252731412 322944962 /nfs/dbraw/zinc/94/49/62/322944962.db2.gz PUPCMJYEHUGBCJ-NTZNESFSSA-N 1 0 221.344 3.681 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)o1 ZINC000252731799 388776945 /nfs/dbraw/zinc/77/69/45/388776945.db2.gz RPMIFQDWAQVXDZ-DRZSPHRISA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)o1 ZINC000252731800 388776149 /nfs/dbraw/zinc/77/61/49/388776149.db2.gz RPMIFQDWAQVXDZ-RAIGVLPGSA-N 1 0 221.344 3.817 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000252731822 325693488 /nfs/dbraw/zinc/69/34/88/325693488.db2.gz RSEUJLDIMLBNGN-FPMFFAJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000252731823 325693505 /nfs/dbraw/zinc/69/35/05/325693505.db2.gz RSEUJLDIMLBNGN-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000252731883 385264817 /nfs/dbraw/zinc/26/48/17/385264817.db2.gz SARFGAPMYSUPMI-KCXAZCMYSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@H]2C[C@H]2C)C2CC2)cc1 ZINC000252731884 322945220 /nfs/dbraw/zinc/94/52/20/322945220.db2.gz SARFGAPMYSUPMI-WQVCFCJDSA-N 1 0 229.367 3.692 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000252731885 636885422 /nfs/dbraw/zinc/88/54/22/636885422.db2.gz SASLXTOUFQQHIG-GARJFASQSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000252731886 636885084 /nfs/dbraw/zinc/88/50/84/636885084.db2.gz SASLXTOUFQQHIG-HBNTYKKESA-N 1 0 240.416 3.927 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C1(C)CC1 ZINC000252731977 325693551 /nfs/dbraw/zinc/69/35/51/325693551.db2.gz SNARUWJSOSHOEF-FPMFFAJLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)C1(C)CC1 ZINC000252731978 385286616 /nfs/dbraw/zinc/28/66/16/385286616.db2.gz SNARUWJSOSHOEF-UBHSHLNASA-N 1 0 221.388 3.733 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000252732047 644892549 /nfs/dbraw/zinc/89/25/49/644892549.db2.gz SUMNUCHPFPKKPR-PEGGXJLSSA-N 1 0 221.388 3.733 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000252732048 644893921 /nfs/dbraw/zinc/89/39/21/644893921.db2.gz SUMNUCHPFPKKPR-QFSHSQKFSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000252732221 171297910 /nfs/dbraw/zinc/29/79/10/171297910.db2.gz UEQQSNLMSSGWQR-GARJFASQSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000252732222 171295758 /nfs/dbraw/zinc/29/57/58/171295758.db2.gz UEQQSNLMSSGWQR-HBNTYKKESA-N 1 0 226.389 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccsc1 ZINC000252732233 388776624 /nfs/dbraw/zinc/77/66/24/388776624.db2.gz UGEPWKKTXLEDGB-GVXVVHGQSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccsc1 ZINC000252732234 388776908 /nfs/dbraw/zinc/77/69/08/388776908.db2.gz UGEPWKKTXLEDGB-NQBHXWOUSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000252732244 325693758 /nfs/dbraw/zinc/69/37/58/325693758.db2.gz UHBLQMVWEXZOKD-IMRBUKKESA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000252732290 385289744 /nfs/dbraw/zinc/28/97/44/385289744.db2.gz UKWZNMKRPUICIJ-KKUMJFAQSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000252732291 322945559 /nfs/dbraw/zinc/94/55/59/322945559.db2.gz UKWZNMKRPUICIJ-SOUVJXGZSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)SC ZINC000252732315 325693633 /nfs/dbraw/zinc/69/36/33/325693633.db2.gz UNKYDUCTDICMNM-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)SC ZINC000252732316 388777081 /nfs/dbraw/zinc/77/70/81/388777081.db2.gz UNKYDUCTDICMNM-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000252732626 325693660 /nfs/dbraw/zinc/69/36/60/325693660.db2.gz WCNRVGRBKHLULL-AVGNSLFASA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000252732627 325693722 /nfs/dbraw/zinc/69/37/22/325693722.db2.gz WCNRVGRBKHLULL-JHJVBQTASA-N 1 0 239.403 3.501 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cs1 ZINC000252732720 325693724 /nfs/dbraw/zinc/69/37/24/325693724.db2.gz WLFMEAAIWQTWHO-CKYFFXLPSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cs1 ZINC000252732721 325693729 /nfs/dbraw/zinc/69/37/29/325693729.db2.gz WLFMEAAIWQTWHO-NHCYSSNCSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccs1 ZINC000252732747 325693713 /nfs/dbraw/zinc/69/37/13/325693713.db2.gz WNPJAKUCGUEQMS-IJLUTSLNSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccs1 ZINC000252732748 325693747 /nfs/dbraw/zinc/69/37/47/325693747.db2.gz WNPJAKUCGUEQMS-SRVKXCTJSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)SC ZINC000252732832 325693791 /nfs/dbraw/zinc/69/37/91/325693791.db2.gz WTXSMCAGHZAVLC-FDYHWXHSSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)SC ZINC000252732833 388778235 /nfs/dbraw/zinc/77/82/35/388778235.db2.gz WTXSMCAGHZAVLC-XQHKEYJVSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)SC ZINC000252732834 388777807 /nfs/dbraw/zinc/77/78/07/388777807.db2.gz WTXSMCAGHZAVLC-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2C=CCCC2)C[C@@H](C)C1 ZINC000252732861 322946304 /nfs/dbraw/zinc/94/63/04/322946304.db2.gz WVNMFYXYEURLEQ-RFQIPJPRSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2C=CCCC2)C[C@@H](C)C1 ZINC000252732862 322946307 /nfs/dbraw/zinc/94/63/07/322946307.db2.gz WVNMFYXYEURLEQ-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cc1 ZINC000252733087 325693632 /nfs/dbraw/zinc/69/36/32/325693632.db2.gz XVHOUKKBIRNTEH-UMVBOHGHSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)cc1 ZINC000252733088 325693626 /nfs/dbraw/zinc/69/36/26/325693626.db2.gz XVHOUKKBIRNTEH-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000252733171 325693840 /nfs/dbraw/zinc/69/38/40/325693840.db2.gz YEUZCMCLLJHDQZ-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000252733172 388778105 /nfs/dbraw/zinc/77/81/05/388778105.db2.gz YEUZCMCLLJHDQZ-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000252737209 325694088 /nfs/dbraw/zinc/69/40/88/325694088.db2.gz BJQJEOXTFBMIMS-SNPRPXQTSA-N 1 0 217.356 3.629 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000252737211 325694095 /nfs/dbraw/zinc/69/40/95/325694095.db2.gz BJQJEOXTFBMIMS-YUELXQCFSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000252738318 135105627 /nfs/dbraw/zinc/10/56/27/135105627.db2.gz AYDBCMXAXXHFMK-IACUBPJLSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000252738319 135105443 /nfs/dbraw/zinc/10/54/43/135105443.db2.gz AYDBCMXAXXHFMK-MRVWCRGKSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000252738824 388778137 /nfs/dbraw/zinc/77/81/37/388778137.db2.gz DZSNULCOHPLIGJ-IHRRRGAJSA-N 1 0 219.372 3.814 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000252738826 325694388 /nfs/dbraw/zinc/69/43/88/325694388.db2.gz DZSNULCOHPLIGJ-MELADBBJSA-N 1 0 219.372 3.814 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)o1 ZINC000252738906 325694473 /nfs/dbraw/zinc/69/44/73/325694473.db2.gz DZCRXXMNWWACDG-HAQNSBGRSA-N 1 0 221.344 3.510 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC000252739956 388779947 /nfs/dbraw/zinc/77/99/47/388779947.db2.gz LPLGOUSVYHJNMY-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC000252739958 325694516 /nfs/dbraw/zinc/69/45/16/325694516.db2.gz LPLGOUSVYHJNMY-JHJVBQTASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000252740342 135105505 /nfs/dbraw/zinc/10/55/05/135105505.db2.gz NBTHEEUQOHRITB-OUCADQQQSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000252740343 135105597 /nfs/dbraw/zinc/10/55/97/135105597.db2.gz NBTHEEUQOHRITB-YRGRVCCFSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252740638 325694521 /nfs/dbraw/zinc/69/45/21/325694521.db2.gz OCGMDCSFZYPCQX-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252740639 388778780 /nfs/dbraw/zinc/77/87/80/388778780.db2.gz OCGMDCSFZYPCQX-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCSC ZINC000252741325 388779465 /nfs/dbraw/zinc/77/94/65/388779465.db2.gz SDIOORYHUZNEAN-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCSC ZINC000252741327 325694666 /nfs/dbraw/zinc/69/46/66/325694666.db2.gz SDIOORYHUZNEAN-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCSC ZINC000252741547 325694673 /nfs/dbraw/zinc/69/46/73/325694673.db2.gz SOTALDSCNZAHSP-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCSC ZINC000252741549 325694668 /nfs/dbraw/zinc/69/46/68/325694668.db2.gz SOTALDSCNZAHSP-MGPQQGTHSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H](C)CSC ZINC000252741678 388779450 /nfs/dbraw/zinc/77/94/50/388779450.db2.gz ULPNOPQQTMCAHL-FDYHWXHSSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)CSC ZINC000252741680 388779954 /nfs/dbraw/zinc/77/99/54/388779954.db2.gz ULPNOPQQTMCAHL-LPWJVIDDSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H](C)CSC ZINC000252741681 325694624 /nfs/dbraw/zinc/69/46/24/325694624.db2.gz ULPNOPQQTMCAHL-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000252741714 322947384 /nfs/dbraw/zinc/94/73/84/322947384.db2.gz UVIXFMHZAHGCHV-YWPYICTPSA-N 1 0 217.356 3.556 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000252741718 325694656 /nfs/dbraw/zinc/69/46/56/325694656.db2.gz UVIXFMHZAHGCHV-ZOWXZIJZSA-N 1 0 217.356 3.556 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000252742100 388779459 /nfs/dbraw/zinc/77/94/59/388779459.db2.gz XIJYVUSDANAJQG-AAVRWANBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252742102 325694785 /nfs/dbraw/zinc/69/47/85/325694785.db2.gz XIJYVUSDANAJQG-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252742104 325694783 /nfs/dbraw/zinc/69/47/83/325694783.db2.gz XIJYVUSDANAJQG-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000252742494 343866269 /nfs/dbraw/zinc/86/62/69/343866269.db2.gz ZWCBWCRTKRTUQP-AAVRWANBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000252742495 343866185 /nfs/dbraw/zinc/86/61/85/343866185.db2.gz ZWCBWCRTKRTUQP-SYQHCUMBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000252742496 343866271 /nfs/dbraw/zinc/86/62/71/343866271.db2.gz ZWCBWCRTKRTUQP-YIYPIFLZSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000252743725 644896789 /nfs/dbraw/zinc/89/67/89/644896789.db2.gz QKBNTQJJCJXYAV-UPJWGTAASA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000252743726 644896531 /nfs/dbraw/zinc/89/65/31/644896531.db2.gz QKBNTQJJCJXYAV-XQQFMLRXSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000252744103 635713882 /nfs/dbraw/zinc/71/38/82/635713882.db2.gz RDAFDEZNARTHDQ-FRRDWIJNSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000252744104 644897038 /nfs/dbraw/zinc/89/70/38/644897038.db2.gz RDAFDEZNARTHDQ-RWMBFGLXSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000252744326 644897245 /nfs/dbraw/zinc/89/72/45/644897245.db2.gz RMUNNXRLHRZTBI-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000252744328 644897270 /nfs/dbraw/zinc/89/72/70/644897270.db2.gz RMUNNXRLHRZTBI-ITGHMWBKSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000252744330 644896879 /nfs/dbraw/zinc/89/68/79/644896879.db2.gz RMUNNXRLHRZTBI-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000252745829 535065967 /nfs/dbraw/zinc/06/59/67/535065967.db2.gz AVSMKQSGUBIGRI-DZKIICNBSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccccc1 ZINC000252745831 535067186 /nfs/dbraw/zinc/06/71/86/535067186.db2.gz AVSMKQSGUBIGRI-YCPHGPKFSA-N 1 0 249.398 3.667 20 0 BHADRO CCSCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252752995 325695310 /nfs/dbraw/zinc/69/53/10/325695310.db2.gz HREJSSDNINLXKD-ITGUQSILSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)[C@H]1C ZINC000252758511 388781185 /nfs/dbraw/zinc/78/11/85/388781185.db2.gz CIAXMOOGLFZJRL-DYEKYZERSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@H]1C ZINC000252758512 388782275 /nfs/dbraw/zinc/78/22/75/388782275.db2.gz CIAXMOOGLFZJRL-MBNYWOFBSA-N 1 0 221.388 3.591 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000252758563 635714482 /nfs/dbraw/zinc/71/44/82/635714482.db2.gz CJKDJGOIBLGCIB-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000252758566 644900882 /nfs/dbraw/zinc/90/08/82/644900882.db2.gz CJKDJGOIBLGCIB-QSLWVIQJSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000252758570 644900605 /nfs/dbraw/zinc/90/06/05/644900605.db2.gz CJKDJGOIBLGCIB-RKQHYHRCSA-N 1 0 241.444 3.685 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252759989 325695860 /nfs/dbraw/zinc/69/58/60/325695860.db2.gz LQUANABHOYWNJG-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000252759991 388781771 /nfs/dbraw/zinc/78/17/71/388781771.db2.gz LQUANABHOYWNJG-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2C=CCCC2)[C@H]1C ZINC000252760256 388781169 /nfs/dbraw/zinc/78/11/69/388781169.db2.gz CZJKXPSMFQTFKE-RFGFWPKPSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C=CCCC2)[C@H]1C ZINC000252760258 388781177 /nfs/dbraw/zinc/78/11/77/388781177.db2.gz CZJKXPSMFQTFKE-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000252760582 135107776 /nfs/dbraw/zinc/10/77/76/135107776.db2.gz MICBKSKLQFLYJD-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000252760583 135107842 /nfs/dbraw/zinc/10/78/42/135107842.db2.gz MICBKSKLQFLYJD-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252762026 135107130 /nfs/dbraw/zinc/10/71/30/135107130.db2.gz NHCYYBZXEHXJQP-ITGUQSILSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252762224 388781159 /nfs/dbraw/zinc/78/11/59/388781159.db2.gz DQLGNZILJTVFQD-FDYHWXHSSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000252762226 325695867 /nfs/dbraw/zinc/69/58/67/325695867.db2.gz DQLGNZILJTVFQD-UMSGYPCISA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000252762531 535322749 /nfs/dbraw/zinc/32/27/49/535322749.db2.gz NMQNUZQKYKUWOT-DZKIICNBSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccccc1 ZINC000252762533 535323085 /nfs/dbraw/zinc/32/30/85/535323085.db2.gz NMQNUZQKYKUWOT-YCPHGPKFSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](SC)C1 ZINC000252766064 644902980 /nfs/dbraw/zinc/90/29/80/644902980.db2.gz ITGDSOWBILOGOI-RFGFWPKPSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000252766067 644902446 /nfs/dbraw/zinc/90/24/46/644902446.db2.gz ITGDSOWBILOGOI-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1F ZINC000252771041 135108647 /nfs/dbraw/zinc/10/86/47/135108647.db2.gz LKFSEWSWIYCFTL-GYSYKLTISA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1F ZINC000252771044 135108439 /nfs/dbraw/zinc/10/84/39/135108439.db2.gz LKFSEWSWIYCFTL-SUNKGSAMSA-N 1 0 221.319 3.522 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C[C@H](C)O)cc1 ZINC000252777172 325696226 /nfs/dbraw/zinc/69/62/26/325696226.db2.gz YKRXAECWPISGAE-HZSPNIEDSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc1 ZINC000252777173 388783157 /nfs/dbraw/zinc/78/31/57/388783157.db2.gz YKRXAECWPISGAE-MELADBBJSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)C1CC1 ZINC000252777319 538102610 /nfs/dbraw/zinc/10/26/10/538102610.db2.gz OSARJDSRDBRGQH-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C1CC1 ZINC000252777321 538102481 /nfs/dbraw/zinc/10/24/81/538102481.db2.gz OSARJDSRDBRGQH-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cscn1 ZINC000252787499 323141718 /nfs/dbraw/zinc/14/17/18/323141718.db2.gz AJOQVPZGYTWYJM-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cscn1 ZINC000252787502 325696576 /nfs/dbraw/zinc/69/65/76/325696576.db2.gz AJOQVPZGYTWYJM-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)c(C)o1 ZINC000252787617 643115878 /nfs/dbraw/zinc/11/58/78/643115878.db2.gz CASMMQIDVWNNBG-YPFXGUDJSA-N 1 0 221.344 3.565 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252787645 538102792 /nfs/dbraw/zinc/10/27/92/538102792.db2.gz DSXYXJYIBGYJAM-CFVMTHIKSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252787646 349205985 /nfs/dbraw/zinc/20/59/85/349205985.db2.gz DSXYXJYIBGYJAM-QEJZJMRPSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cscn2)C1 ZINC000252788052 325696543 /nfs/dbraw/zinc/69/65/43/325696543.db2.gz IMYVYHYGPKUWKX-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cscn2)C1 ZINC000252788053 325696569 /nfs/dbraw/zinc/69/65/69/325696569.db2.gz IMYVYHYGPKUWKX-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252788086 388782588 /nfs/dbraw/zinc/78/25/88/388782588.db2.gz JDKKUHLLXQQUIP-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252788087 325696594 /nfs/dbraw/zinc/69/65/94/325696594.db2.gz JDKKUHLLXQQUIP-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000252788351 349206036 /nfs/dbraw/zinc/20/60/36/349206036.db2.gz LFVWXHCBHDKRTO-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000252788352 349205955 /nfs/dbraw/zinc/20/59/55/349205955.db2.gz LFVWXHCBHDKRTO-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000252788418 644907396 /nfs/dbraw/zinc/90/73/96/644907396.db2.gz NTHYQEYOEGTSBT-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000252788419 644906972 /nfs/dbraw/zinc/90/69/72/644906972.db2.gz NTHYQEYOEGTSBT-XDQVBPFNSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252788420 644907359 /nfs/dbraw/zinc/90/73/59/644907359.db2.gz NTHYQEYOEGTSBT-ZOBORPQBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cscn1 ZINC000252788718 325696596 /nfs/dbraw/zinc/69/65/96/325696596.db2.gz RHNWRZBDSCYWIB-SRRSOLGSSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cscn1 ZINC000252788719 325696600 /nfs/dbraw/zinc/69/66/00/325696600.db2.gz RHNWRZBDSCYWIB-XZUYRWCXSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1cscn1 ZINC000252788967 388785117 /nfs/dbraw/zinc/78/51/17/388785117.db2.gz SVNIBQJGFZOWQI-KKOKHZNYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1cscn1 ZINC000252788971 388785034 /nfs/dbraw/zinc/78/50/34/388785034.db2.gz TYELTMAGURDBRS-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2CCSCC2)[C@H]1C ZINC000252789050 388784349 /nfs/dbraw/zinc/78/43/49/388784349.db2.gz RHWNURKAYGOCLB-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCSCC2)[C@H]1C ZINC000252789051 388785030 /nfs/dbraw/zinc/78/50/30/388785030.db2.gz RHWNURKAYGOCLB-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000252789799 388785124 /nfs/dbraw/zinc/78/51/24/388785124.db2.gz RUDOJFBZNMTTDC-TYNCELHUSA-N 1 0 217.356 3.616 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000252789800 325696723 /nfs/dbraw/zinc/69/67/23/325696723.db2.gz RUDOJFBZNMTTDC-XUJVJEKNSA-N 1 0 217.356 3.616 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252794428 644907656 /nfs/dbraw/zinc/90/76/56/644907656.db2.gz YUDAPLCANPQZMX-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000252803540 325697002 /nfs/dbraw/zinc/69/70/02/325697002.db2.gz BSXNXPQVJSBNOL-FDYHWXHSSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000252803541 388784409 /nfs/dbraw/zinc/78/44/09/388784409.db2.gz BSXNXPQVJSBNOL-UMSGYPCISA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1cscn1 ZINC000252803570 388784889 /nfs/dbraw/zinc/78/48/89/388784889.db2.gz BVFGBVJUIRLOBT-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1cscn1 ZINC000252803571 388784938 /nfs/dbraw/zinc/78/49/38/388784938.db2.gz BVFGBVJUIRLOBT-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000252803729 644910568 /nfs/dbraw/zinc/91/05/68/644910568.db2.gz BZTUQGKHWPFPSB-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000252803730 644910550 /nfs/dbraw/zinc/91/05/50/644910550.db2.gz BZTUQGKHWPFPSB-QSLWVIQJSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000252803731 644910389 /nfs/dbraw/zinc/91/03/89/644910389.db2.gz BZTUQGKHWPFPSB-RKQHYHRCSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1cncs1 ZINC000252808174 135111758 /nfs/dbraw/zinc/11/17/58/135111758.db2.gz JRIVIFQFQHDBKD-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1cncs1 ZINC000252808177 135111757 /nfs/dbraw/zinc/11/17/57/135111757.db2.gz JRIVIFQFQHDBKD-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000252808229 644910599 /nfs/dbraw/zinc/91/05/99/644910599.db2.gz JTCGQXAHKSYPCQ-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252812038 388784840 /nfs/dbraw/zinc/78/48/40/388784840.db2.gz PLFRQBJUHLNCEU-GWOFURMSSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000252812040 325697182 /nfs/dbraw/zinc/69/71/82/325697182.db2.gz PLFRQBJUHLNCEU-LNFKQOIKSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000252812042 388784865 /nfs/dbraw/zinc/78/48/65/388784865.db2.gz PLFRQBJUHLNCEU-UKKRHICBSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCCC2)[C@H](C)C1 ZINC000252816777 388784356 /nfs/dbraw/zinc/78/43/56/388784356.db2.gz XDMBCOFOBAYJKA-SYQHCUMBSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CCC1 ZINC000252818349 538103083 /nfs/dbraw/zinc/10/30/83/538103083.db2.gz ZLBIRLCRMXOBBT-BYNQJWBRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CCC1 ZINC000252818350 538103090 /nfs/dbraw/zinc/10/30/90/538103090.db2.gz ZLBIRLCRMXOBBT-NMKXLXIOSA-N 1 0 209.377 3.589 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)co1 ZINC000252894520 636777834 /nfs/dbraw/zinc/77/78/34/636777834.db2.gz VVMXBSFOHQZODY-QLFBSQMISA-N 1 0 233.355 3.728 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)co1 ZINC000252894521 644922267 /nfs/dbraw/zinc/92/22/67/644922267.db2.gz VVMXBSFOHQZODY-SOUVJXGZSA-N 1 0 233.355 3.728 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1C ZINC000252895714 325699670 /nfs/dbraw/zinc/69/96/70/325699670.db2.gz ZKVBZDZHWUJPKQ-BMFZPTHFSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252895716 388791568 /nfs/dbraw/zinc/79/15/68/388791568.db2.gz ZKVBZDZHWUJPKQ-FVQBIDKESA-N 1 0 231.383 3.786 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000252931677 135117941 /nfs/dbraw/zinc/11/79/41/135117941.db2.gz BMBGEEJTLISERV-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000252931678 135117448 /nfs/dbraw/zinc/11/74/48/135117448.db2.gz BMBGEEJTLISERV-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000252933762 388792436 /nfs/dbraw/zinc/79/24/36/388792436.db2.gz DCRFLRMJRRLQGQ-JMSVASOKSA-N 1 0 233.355 3.622 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000252933763 325700786 /nfs/dbraw/zinc/70/07/86/325700786.db2.gz DCRFLRMJRRLQGQ-LALPHHSUSA-N 1 0 233.355 3.622 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000252948195 325701038 /nfs/dbraw/zinc/70/10/38/325701038.db2.gz AYDNWAMFWBJZAR-MQMHXKEQSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nc(C)cs1 ZINC000252951737 368170036 /nfs/dbraw/zinc/17/00/36/368170036.db2.gz PGVAZJJBLXOVEL-IJLUTSLNSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1nc(C)cs1 ZINC000252951739 368171050 /nfs/dbraw/zinc/17/10/50/368171050.db2.gz PGVAZJJBLXOVEL-UTUOFQBUSA-N 1 0 238.400 3.681 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252951842 325701333 /nfs/dbraw/zinc/70/13/33/325701333.db2.gz FEMDAURBHPTDTA-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000252951844 388795057 /nfs/dbraw/zinc/79/50/57/388795057.db2.gz FEMDAURBHPTDTA-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000252954405 135118018 /nfs/dbraw/zinc/11/80/18/135118018.db2.gz QSFJSZIVSCHZHQ-BNOWGMLFSA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000252954406 135117954 /nfs/dbraw/zinc/11/79/54/135117954.db2.gz QSFJSZIVSCHZHQ-XBFCOCLRSA-N 1 0 233.355 3.825 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252955586 325701259 /nfs/dbraw/zinc/70/12/59/325701259.db2.gz ISUKWXFTGUOPND-FDYHWXHSSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000252955587 388794635 /nfs/dbraw/zinc/79/46/35/388794635.db2.gz ISUKWXFTGUOPND-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C[C@H]1C ZINC000252959363 388795191 /nfs/dbraw/zinc/79/51/91/388795191.db2.gz MBYUUBRQDYHGCN-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C[C@H]1C ZINC000252959364 388795175 /nfs/dbraw/zinc/79/51/75/388795175.db2.gz MBYUUBRQDYHGCN-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252963718 642915736 /nfs/dbraw/zinc/91/57/36/642915736.db2.gz QGHSYAUDTYNQHB-FVCCEPFGSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000252963720 642915814 /nfs/dbraw/zinc/91/58/14/642915814.db2.gz QGHSYAUDTYNQHB-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252966616 642916291 /nfs/dbraw/zinc/91/62/91/642916291.db2.gz SVJIXWDKIRUIOB-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000252966618 642917034 /nfs/dbraw/zinc/91/70/34/642917034.db2.gz SVJIXWDKIRUIOB-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)CC1 ZINC000252966941 388794873 /nfs/dbraw/zinc/79/48/73/388794873.db2.gz TYEAJISGXCKEFB-UMSPYCQHSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252967216 388794810 /nfs/dbraw/zinc/79/48/10/388794810.db2.gz UCTALMRLTUQUHW-UMSPYCQHSA-N 1 0 223.385 3.725 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252970294 388794939 /nfs/dbraw/zinc/79/49/39/388794939.db2.gz WXXJNIMLVOAZMR-NNUKFRKNSA-N 1 0 247.382 3.672 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)s1 ZINC000252972150 325701569 /nfs/dbraw/zinc/70/15/69/325701569.db2.gz YYWFXHGFUZTKOU-HAQNSBGRSA-N 1 0 237.412 3.979 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCCCCC2)CC1 ZINC000252972157 325701585 /nfs/dbraw/zinc/70/15/85/325701585.db2.gz YZQLRMINTLEXHU-MQMHXKEQSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000252972203 323141833 /nfs/dbraw/zinc/14/18/33/323141833.db2.gz ZDKNAKNAQJTQLD-MGCOHNPYSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000252972706 388794073 /nfs/dbraw/zinc/79/40/73/388794073.db2.gz ZQPCTTDKPSDXPP-NQBHXWOUSA-N 1 0 235.371 3.927 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000252972707 388794607 /nfs/dbraw/zinc/79/46/07/388794607.db2.gz ZQPCTTDKPSDXPP-WZRBSPASSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000252979207 325701847 /nfs/dbraw/zinc/70/18/47/325701847.db2.gz GSTWCCIGJOGVDD-SYQHCUMBSA-N 1 0 249.402 3.521 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000252979639 538103801 /nfs/dbraw/zinc/10/38/01/538103801.db2.gz ITNONJASVNEAGV-XQQFMLRXSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000252979640 538103664 /nfs/dbraw/zinc/10/36/64/538103664.db2.gz ITNONJASVNEAGV-YNEHKIRRSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1C ZINC000253120018 388805816 /nfs/dbraw/zinc/80/58/16/388805816.db2.gz LVFVWVUYASRVSB-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1C ZINC000253120019 388802747 /nfs/dbraw/zinc/80/27/47/388802747.db2.gz LVFVWVUYASRVSB-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)cc(C)c1O ZINC000253130233 325711130 /nfs/dbraw/zinc/71/11/30/325711130.db2.gz OAWXHYCGPISLFT-FUKZOUPISA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253132718 325711180 /nfs/dbraw/zinc/71/11/80/325711180.db2.gz XORXZASOWNAFLV-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253132719 388805101 /nfs/dbraw/zinc/80/51/01/388805101.db2.gz XORXZASOWNAFLV-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253134263 398314622 /nfs/dbraw/zinc/31/46/22/398314622.db2.gz YUKCQRXUQQBNPS-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253134265 384492257 /nfs/dbraw/zinc/49/22/57/384492257.db2.gz YUKCQRXUQQBNPS-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1 ZINC000253134830 325711239 /nfs/dbraw/zinc/71/12/39/325711239.db2.gz QWPAQKAFKOVSAG-OBJOEFQTSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000253134831 325711454 /nfs/dbraw/zinc/71/14/54/325711454.db2.gz QWPAQKAFKOVSAG-YRGRVCCFSA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000253138150 538104977 /nfs/dbraw/zinc/10/49/77/538104977.db2.gz UZTYQXFPRIIOQF-BPLDGKMQSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000253138151 538104939 /nfs/dbraw/zinc/10/49/39/538104939.db2.gz UZTYQXFPRIIOQF-QEJZJMRPSA-N 1 0 244.382 3.627 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000253176590 325712451 /nfs/dbraw/zinc/71/24/51/325712451.db2.gz AEGJPKCWJWQOGW-UMVBOHGHSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000253176592 325712721 /nfs/dbraw/zinc/71/27/21/325712721.db2.gz AEGJPKCWJWQOGW-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000253176849 135122838 /nfs/dbraw/zinc/12/28/38/135122838.db2.gz AKZGPMUCXGTXMT-NMKXLXIOSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000253176852 135123171 /nfs/dbraw/zinc/12/31/71/135123171.db2.gz AKZGPMUCXGTXMT-NRWUCQMLSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000253176854 135123369 /nfs/dbraw/zinc/12/33/69/135123369.db2.gz AKZGPMUCXGTXMT-UHXUPSOCSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC000253177414 388806250 /nfs/dbraw/zinc/80/62/50/388806250.db2.gz AYRCBLHLPRAVPM-BMFZPTHFSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC000253177415 325712816 /nfs/dbraw/zinc/71/28/16/325712816.db2.gz AYRCBLHLPRAVPM-FVQBIDKESA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000253178927 388809377 /nfs/dbraw/zinc/80/93/77/388809377.db2.gz CKWJYBSQUOSDHW-RZFFKMDDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000253178928 388806525 /nfs/dbraw/zinc/80/65/25/388806525.db2.gz CKWJYBSQUOSDHW-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)CC(C)(C)C1 ZINC000253179720 388808755 /nfs/dbraw/zinc/80/87/55/388808755.db2.gz CYJYDZDJROMOED-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CC(C)(C)C1 ZINC000253179721 388808634 /nfs/dbraw/zinc/80/86/34/388808634.db2.gz CYJYDZDJROMOED-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C2CC2)C1 ZINC000253182381 370158234 /nfs/dbraw/zinc/15/82/34/370158234.db2.gz FUFLVOLTNGTIPL-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C2CC2)C1 ZINC000253182383 370158077 /nfs/dbraw/zinc/15/80/77/370158077.db2.gz FUFLVOLTNGTIPL-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000253183997 711764362 /nfs/dbraw/zinc/76/43/62/711764362.db2.gz GZQYLYGVVYRHMV-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000253183999 711764442 /nfs/dbraw/zinc/76/44/42/711764442.db2.gz GZQYLYGVVYRHMV-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000253188641 388586377 /nfs/dbraw/zinc/58/63/77/388586377.db2.gz JXDXVRVHABYZJT-AAVRWANBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000253188643 325713711 /nfs/dbraw/zinc/71/37/11/325713711.db2.gz JXDXVRVHABYZJT-SYQHCUMBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000253188645 325713660 /nfs/dbraw/zinc/71/36/60/325713660.db2.gz JXDXVRVHABYZJT-XDQVBPFNSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000253188646 388586215 /nfs/dbraw/zinc/58/62/15/388586215.db2.gz JXDXVRVHABYZJT-XUXIUFHCSA-N 1 0 209.377 3.733 20 0 BHADRO CC1CCC([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000253191430 368611667 /nfs/dbraw/zinc/61/16/67/368611667.db2.gz MBMYWQZUIRTDLE-DUPPUEJBSA-N 1 0 209.377 3.733 20 0 BHADRO COCc1cccc(C[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000253191743 388808236 /nfs/dbraw/zinc/80/82/36/388808236.db2.gz MMPBGYWUEGPPSY-SAZUREKKSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000253192266 135124145 /nfs/dbraw/zinc/12/41/45/135124145.db2.gz MXFPTEAJZCFPEW-PJXYFTJBSA-N 1 0 221.344 3.502 20 0 BHADRO COCc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)cc1 ZINC000253192305 325714120 /nfs/dbraw/zinc/71/41/20/325714120.db2.gz NAGBLYGIIZCVDW-SAZUREKKSA-N 1 0 247.382 3.501 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000253193348 325714238 /nfs/dbraw/zinc/71/42/38/325714238.db2.gz OPDVZNTUVQYHKN-RFQIPJPRSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000253193349 325714036 /nfs/dbraw/zinc/71/40/36/325714036.db2.gz OPDVZNTUVQYHKN-XDQVBPFNSA-N 1 0 241.444 3.829 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000253193350 325713988 /nfs/dbraw/zinc/71/39/88/325713988.db2.gz OPDVZNTUVQYHKN-ZOBORPQBSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000253194513 325714048 /nfs/dbraw/zinc/71/40/48/325714048.db2.gz QDEMDYPWZSEQAE-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000253194514 325714149 /nfs/dbraw/zinc/71/41/49/325714149.db2.gz QDEMDYPWZSEQAE-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000253198601 388809082 /nfs/dbraw/zinc/80/90/82/388809082.db2.gz VTYUFOJHGZPFBZ-MQYQWHSLSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000253198603 388809250 /nfs/dbraw/zinc/80/92/50/388809250.db2.gz VTYUFOJHGZPFBZ-RFGFWPKPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000253198605 325714234 /nfs/dbraw/zinc/71/42/34/325714234.db2.gz VTYUFOJHGZPFBZ-YIYPIFLZSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000253199693 135125057 /nfs/dbraw/zinc/12/50/57/135125057.db2.gz WRJSWBBCVYQPHI-CYZMBNFOSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000253199694 135125027 /nfs/dbraw/zinc/12/50/27/135125027.db2.gz WRJSWBBCVYQPHI-RAIGVLPGSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000253199795 135125015 /nfs/dbraw/zinc/12/50/15/135125015.db2.gz APWDGZBXHMLQEH-AGIUHOORSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000253199798 135124978 /nfs/dbraw/zinc/12/49/78/135124978.db2.gz APWDGZBXHMLQEH-FRRDWIJNSA-N 1 0 247.407 3.654 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000253201936 644944073 /nfs/dbraw/zinc/94/40/73/644944073.db2.gz YIUBOJGQUZYRLW-KWCYVHTRSA-N 1 0 235.396 3.621 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000253201939 644942714 /nfs/dbraw/zinc/94/27/14/644942714.db2.gz YIUBOJGQUZYRLW-MRVWCRGKSA-N 1 0 235.396 3.621 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000253203684 325714508 /nfs/dbraw/zinc/71/45/08/325714508.db2.gz ZRHBEWHCVKKKHO-IMRBUKKESA-N 1 0 221.344 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(F)c1 ZINC000253205577 135124632 /nfs/dbraw/zinc/12/46/32/135124632.db2.gz FSVOSONZRDTJDR-OSMZGAPFSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(F)c1 ZINC000253205579 135124799 /nfs/dbraw/zinc/12/47/99/135124799.db2.gz FSVOSONZRDTJDR-QKCSRTOESA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000253278273 325717254 /nfs/dbraw/zinc/71/72/54/325717254.db2.gz JOVBUEQGRNOWJR-KMUNFCNLSA-N 1 0 249.785 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000253278274 325717337 /nfs/dbraw/zinc/71/73/37/325717337.db2.gz JOVBUEQGRNOWJR-ONERCXAPSA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000253355660 388815375 /nfs/dbraw/zinc/81/53/75/388815375.db2.gz GEZOCPIBFQJYKG-NXEZZACHSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000253355661 388815286 /nfs/dbraw/zinc/81/52/86/388815286.db2.gz GEZOCPIBFQJYKG-VHSXEESVSA-N 1 0 237.309 3.695 20 0 BHADRO Cc1ccc(C)c(OCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000253479727 388818631 /nfs/dbraw/zinc/81/86/31/388818631.db2.gz RYILEDNTDORRSK-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C)c(OCC[N@H+]2CCCC[C@H]2C)c1 ZINC000253479728 388819347 /nfs/dbraw/zinc/81/93/47/388819347.db2.gz RYILEDNTDORRSK-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000253598532 388821973 /nfs/dbraw/zinc/82/19/73/388821973.db2.gz CWGCYOPNQXGILN-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2ccccc2)C1 ZINC000253602107 538458041 /nfs/dbraw/zinc/45/80/41/538458041.db2.gz HYRWDGKNZDBCKO-GASCZTMLSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCCc2ccccc2)C1 ZINC000253602108 538458072 /nfs/dbraw/zinc/45/80/72/538458072.db2.gz HYRWDGKNZDBCKO-GJZGRUSLSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCc2ccccc2)C1 ZINC000253602109 538458056 /nfs/dbraw/zinc/45/80/56/538458056.db2.gz HYRWDGKNZDBCKO-HUUCEWRRSA-N 1 0 231.383 3.597 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000253603456 388823114 /nfs/dbraw/zinc/82/31/14/388823114.db2.gz FWODATLDABSBEU-GFCCVEGCSA-N 1 0 217.356 3.535 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000253624406 323142641 /nfs/dbraw/zinc/14/26/41/323142641.db2.gz IIAMHBBKVWRFIS-HUBLWGQQSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000253624407 384920065 /nfs/dbraw/zinc/92/00/65/384920065.db2.gz IIAMHBBKVWRFIS-ZOWXZIJZSA-N 1 0 217.356 3.698 20 0 BHADRO C[C@H]1CCC[N@H+](CCSc2ccccc2)[C@H]1C ZINC000253630711 388823541 /nfs/dbraw/zinc/82/35/41/388823541.db2.gz WRBXGUJMIKKRRJ-KBPBESRZSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSc2ccccc2)[C@H]1C ZINC000253630712 388823439 /nfs/dbraw/zinc/82/34/39/388823439.db2.gz WRBXGUJMIKKRRJ-KGLIPLIRSA-N 1 0 249.423 3.899 20 0 BHADRO CSCCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000254884419 325775448 /nfs/dbraw/zinc/77/54/48/325775448.db2.gz APGCXBGZJOUDJR-OWBHPGMISA-N 1 0 249.423 3.823 20 0 BHADRO CC[N@H+](C/C(C)=C\c1ccccc1)C1CC1 ZINC000254941783 388866838 /nfs/dbraw/zinc/86/68/38/388866838.db2.gz AZWJWXJBTQPLDE-QBFSEMIESA-N 1 0 215.340 3.574 20 0 BHADRO Cl/C=C/C[N@H+](C/C=C\Cl)CC1CCC1 ZINC000254969812 643190547 /nfs/dbraw/zinc/19/05/47/643190547.db2.gz ZTDNTVIVHGXVIX-MFDSWNTHSA-N 1 0 234.170 3.594 20 0 BHADRO Cl/C=C\C[NH+](C/C=C\Cl)CC1CCC1 ZINC000254969813 643191138 /nfs/dbraw/zinc/19/11/38/643191138.db2.gz ZTDNTVIVHGXVIX-PORYWJCVSA-N 1 0 234.170 3.594 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccco1 ZINC000254976444 388867540 /nfs/dbraw/zinc/86/75/40/388867540.db2.gz XZISYMCXOPMFEC-KAMYIIQDSA-N 1 0 241.334 3.815 20 0 BHADRO Cl/C=C\C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000255000762 643218674 /nfs/dbraw/zinc/21/86/74/643218674.db2.gz FUJSZNNLITVIAU-MFNCVGGLSA-N 1 0 235.758 3.870 20 0 BHADRO Cl/C=C\C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000255000763 643219197 /nfs/dbraw/zinc/21/91/97/643219197.db2.gz FUJSZNNLITVIAU-XTXQVDMPSA-N 1 0 235.758 3.870 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C/C=C\Cl ZINC000255005437 643218078 /nfs/dbraw/zinc/21/80/78/643218078.db2.gz FHRFWQOXYLEVQE-GPTAZTBJSA-N 1 0 235.758 3.617 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C/C=C\Cl ZINC000255005438 643219143 /nfs/dbraw/zinc/21/91/43/643219143.db2.gz FHRFWQOXYLEVQE-HPFKKHKDSA-N 1 0 235.758 3.617 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(Cl)cc1 ZINC000255021132 642442793 /nfs/dbraw/zinc/44/27/93/642442793.db2.gz QSDYOHKPIMHWFX-HKQQGCEUSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(Cl)cc1 ZINC000255021134 642444560 /nfs/dbraw/zinc/44/45/60/642444560.db2.gz QSDYOHKPIMHWFX-RMGQIXRRSA-N 1 0 230.138 3.743 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000255021748 643248933 /nfs/dbraw/zinc/24/89/33/643248933.db2.gz ZKZFIWLRXQWWIP-YCPUKSTGSA-N 1 0 234.170 3.570 20 0 BHADRO Cl/C=C/C[N@H+](C/C=C\Cl)C1CCCC1 ZINC000255048145 643313739 /nfs/dbraw/zinc/31/37/39/643313739.db2.gz YTWSXOLBOCLQMT-KYPMKJFLSA-N 1 0 234.170 3.736 20 0 BHADRO Cl/C=C\C[NH+](C/C=C\Cl)C1CCCC1 ZINC000255048146 643313451 /nfs/dbraw/zinc/31/34/51/643313451.db2.gz YTWSXOLBOCLQMT-VHOZIDCHSA-N 1 0 234.170 3.736 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CCC1=CCCC1 ZINC000255059153 135128572 /nfs/dbraw/zinc/12/85/72/135128572.db2.gz CWPFFPAMSGKJAB-WDZFZDKYSA-N 1 0 227.351 3.790 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ccco1 ZINC000255067414 384032856 /nfs/dbraw/zinc/03/28/56/384032856.db2.gz JOWALOMSNXKJMV-RQOWECAXSA-N 1 0 245.297 3.564 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255112234 384406537 /nfs/dbraw/zinc/40/65/37/384406537.db2.gz IQICPKLUSJQYIQ-HMZQOCAUSA-N 1 0 247.407 3.527 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255112235 384405805 /nfs/dbraw/zinc/40/58/05/384405805.db2.gz IQICPKLUSJQYIQ-ZHMISCPASA-N 1 0 247.407 3.527 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]1C ZINC000255133627 398042072 /nfs/dbraw/zinc/04/20/72/398042072.db2.gz KSOWVPOSWZHDIT-FZDNWWAKSA-N 1 0 215.340 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H]1C ZINC000255133628 398042397 /nfs/dbraw/zinc/04/23/97/398042397.db2.gz KSOWVPOSWZHDIT-YBEMTRGBSA-N 1 0 215.340 3.574 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000255161878 643532374 /nfs/dbraw/zinc/53/23/74/643532374.db2.gz WARNYTLNTZHIIP-JECSTDCCSA-N 1 0 239.746 3.949 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000255161880 643532936 /nfs/dbraw/zinc/53/29/36/643532936.db2.gz WARNYTLNTZHIIP-VVEJJEBESA-N 1 0 239.746 3.949 20 0 BHADRO CCC[N@H+](C/C=C\c1ccccc1OC)C1CC1 ZINC000255306356 384476751 /nfs/dbraw/zinc/47/67/51/384476751.db2.gz ONNAVAARAHKSPY-VURMDHGXSA-N 1 0 245.366 3.583 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(F)cc1)C(C)C ZINC000255308144 384477221 /nfs/dbraw/zinc/47/72/21/384477221.db2.gz AXHPWEDVRWIXBK-WAYWQWQTSA-N 1 0 221.319 3.569 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccccc2OC)CCC1 ZINC000255323526 322924296 /nfs/dbraw/zinc/92/42/96/322924296.db2.gz YRVYBUBMRRULTQ-TWGQIWQCSA-N 1 0 245.366 3.631 20 0 BHADRO C[C@@H]1CCC[C@@H](C)N1C/C(Cl)=C\Cl ZINC000255326468 711517301 /nfs/dbraw/zinc/51/73/01/711517301.db2.gz KKWNZGBIANDTHU-BBYBQBAKSA-N 1 0 222.159 3.568 20 0 BHADRO C[C@@H]1CCC[C@H](C)N1C/C(Cl)=C\Cl ZINC000255326469 711517420 /nfs/dbraw/zinc/51/74/20/711517420.db2.gz KKWNZGBIANDTHU-JMQKTMHWSA-N 1 0 222.159 3.568 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC2(CCC2)C1 ZINC000255338201 384486826 /nfs/dbraw/zinc/48/68/26/384486826.db2.gz YMUUAJDTBZKTOA-YWEYNIOJSA-N 1 0 227.351 3.576 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1cccc(Cl)c1 ZINC000255359828 631332076 /nfs/dbraw/zinc/33/20/76/631332076.db2.gz LCFBIIRQZLUYTL-JVBZPZKUSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1cccc(Cl)c1 ZINC000255359831 642443731 /nfs/dbraw/zinc/44/37/31/642443731.db2.gz LCFBIIRQZLUYTL-RWIWAZIYSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccoc1 ZINC000255362581 384498270 /nfs/dbraw/zinc/49/82/70/384498270.db2.gz DCHRJLQPQWTWII-DMTLFAOVSA-N 1 0 227.307 3.644 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccoc1 ZINC000255362583 384497804 /nfs/dbraw/zinc/49/78/04/384497804.db2.gz DCHRJLQPQWTWII-UJZCVKTISA-N 1 0 227.307 3.644 20 0 BHADRO CSC(C)(C)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000255376149 631415178 /nfs/dbraw/zinc/41/51/78/631415178.db2.gz NWCWQTPGWHPBBM-RAXLEYEMSA-N 1 0 249.423 3.821 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255377547 384504766 /nfs/dbraw/zinc/50/47/66/384504766.db2.gz GRPXQSYYWDMSKZ-MVZIDQBPSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255377549 384504873 /nfs/dbraw/zinc/50/48/73/384504873.db2.gz GRPXQSYYWDMSKZ-VSQXVHSFSA-N 1 0 233.330 3.569 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255379053 384506137 /nfs/dbraw/zinc/50/61/37/384506137.db2.gz UXUWNNBLQCEWOW-FJOGCWAESA-N 1 0 221.319 3.569 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255379054 384504976 /nfs/dbraw/zinc/50/49/76/384504976.db2.gz UXUWNNBLQCEWOW-FOQNGQEVSA-N 1 0 221.319 3.569 20 0 BHADRO CN(C/C=C\Cl)Cc1cc2ccccc2o1 ZINC000255380783 631431967 /nfs/dbraw/zinc/43/19/67/631431967.db2.gz UQLIRSIZTAHQFH-DAXSKMNVSA-N 1 0 235.714 3.617 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(F)c(Cl)c1 ZINC000255390975 631462175 /nfs/dbraw/zinc/46/21/75/631462175.db2.gz VHQPBOHYBDAZMV-YAPUSRSVSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(F)c(Cl)c1 ZINC000255390978 631461874 /nfs/dbraw/zinc/46/18/74/631461874.db2.gz VHQPBOHYBDAZMV-ZTHSNPKKSA-N 1 0 248.128 3.882 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)C1CCCC1 ZINC000255415222 384522366 /nfs/dbraw/zinc/52/23/66/384522366.db2.gz UXIKHKOMSRDJLS-YFHOEESVSA-N 1 0 215.340 3.574 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C/C=C\c1ccccc1 ZINC000255425607 384525133 /nfs/dbraw/zinc/52/51/33/384525133.db2.gz VCWXAXJZSCFGRV-APFBBLRHSA-N 1 0 241.334 3.986 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C/C=C\c1ccccc1 ZINC000255425608 384524143 /nfs/dbraw/zinc/52/41/43/384524143.db2.gz VCWXAXJZSCFGRV-LBIZBFCRSA-N 1 0 241.334 3.986 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)C1CCC1 ZINC000255550317 384813363 /nfs/dbraw/zinc/81/33/63/384813363.db2.gz GEUHLPQFYJKGAT-QBFSEMIESA-N 1 0 215.340 3.574 20 0 BHADRO CC(C)[N@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000255570800 384854182 /nfs/dbraw/zinc/85/41/82/384854182.db2.gz QWOLALBUCMPSPB-ARJAWSKDSA-N 1 0 233.330 3.712 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1CCSCC1 ZINC000255571302 384855964 /nfs/dbraw/zinc/85/59/64/384855964.db2.gz IUQPYBNNBLTEJN-QBFSEMIESA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CC=CCC1 ZINC000255616627 370570947 /nfs/dbraw/zinc/57/09/47/370570947.db2.gz YHRYIGJAVDUWLD-HECSCLNYSA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC=CCC1 ZINC000255616628 370570953 /nfs/dbraw/zinc/57/09/53/370570953.db2.gz YHRYIGJAVDUWLD-OBEJXRGXSA-N 1 0 227.351 3.788 20 0 BHADRO CC(C)[N@H+](C/C(Cl)=C\Cl)C1CCCC1 ZINC000255626375 632659093 /nfs/dbraw/zinc/65/90/93/632659093.db2.gz BMLOOMNMSCCHJW-JXMROGBWSA-N 1 0 236.186 3.958 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccccc2)CCC1 ZINC000255633945 384909659 /nfs/dbraw/zinc/90/96/59/384909659.db2.gz JYUSGXWJCKRGQM-POHAHGRESA-N 1 0 215.340 3.622 20 0 BHADRO Fc1cccc([C@@H]2CCC[N@@H+]2C/C=C\Cl)c1 ZINC000255634240 632669757 /nfs/dbraw/zinc/66/97/57/632669757.db2.gz UKSFRUAYYFHPRQ-QTEJZOKPSA-N 1 0 239.721 3.715 20 0 BHADRO Fc1cccc([C@H]2CCC[N@@H+]2C/C=C\Cl)c1 ZINC000255634243 632669413 /nfs/dbraw/zinc/66/94/13/632669413.db2.gz UKSFRUAYYFHPRQ-RBWDJNPFSA-N 1 0 239.721 3.715 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccc(F)cc2)CCC1 ZINC000255667913 322936625 /nfs/dbraw/zinc/93/66/25/322936625.db2.gz ISPVRZFZCHNQLB-HYXAFXHYSA-N 1 0 233.330 3.761 20 0 BHADRO CC(C)N(C/C=C\c1ccccc1)CC(F)F ZINC000255710274 384956650 /nfs/dbraw/zinc/95/66/50/384956650.db2.gz PYSRBPHHXBHDPT-TWGQIWQCSA-N 1 0 239.309 3.675 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccccc1Cl ZINC000255711075 632701097 /nfs/dbraw/zinc/70/10/97/632701097.db2.gz MRVYDWIOFOAFLW-WQAKUFEDSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccccc1Cl ZINC000255711076 632700691 /nfs/dbraw/zinc/70/06/91/632700691.db2.gz MRVYDWIOFOAFLW-WYDVEAGSSA-N 1 0 230.138 3.743 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C/C=C\Cl ZINC000255715898 632701635 /nfs/dbraw/zinc/70/16/35/632701635.db2.gz XMYLGAOKWVOBIR-CMKQMZPSSA-N 1 0 235.758 3.617 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C/C=C\Cl ZINC000255715901 632701884 /nfs/dbraw/zinc/70/18/84/632701884.db2.gz XMYLGAOKWVOBIR-XCFRLPKDSA-N 1 0 235.758 3.617 20 0 BHADRO COc1ccccc1/C=C\C[N@H+](C)C1CCCC1 ZINC000255740796 385009833 /nfs/dbraw/zinc/00/98/33/385009833.db2.gz NGWHWIVUTBLBJJ-CLFYSBASSA-N 1 0 245.366 3.583 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000255756918 385013472 /nfs/dbraw/zinc/01/34/72/385013472.db2.gz UWOHHHBHFJYEND-WAYWQWQTSA-N 1 0 221.319 3.617 20 0 BHADRO CC(C)[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000255830196 385081505 /nfs/dbraw/zinc/08/15/05/385081505.db2.gz PLJIESQHUGDEGS-TWGQIWQCSA-N 1 0 215.340 3.573 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C/C=C\Cl ZINC000255840724 642446695 /nfs/dbraw/zinc/44/66/95/642446695.db2.gz CGWLWYXJRDKFFJ-SREVYHEPSA-N 1 0 203.757 3.543 20 0 BHADRO COc1ccccc1/C=C\C[N@H+](C(C)C)C1CC1 ZINC000255889742 385115646 /nfs/dbraw/zinc/11/56/46/385115646.db2.gz NZMYGOCKXDESIP-VURMDHGXSA-N 1 0 245.366 3.581 20 0 BHADRO Cc1occc1C[N@H+](C)C/C=C\c1ccccc1 ZINC000255898178 135130922 /nfs/dbraw/zinc/13/09/22/135130922.db2.gz NATGMOAZBGLRJA-TWGQIWQCSA-N 1 0 241.334 3.733 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000255906071 385146807 /nfs/dbraw/zinc/14/68/07/385146807.db2.gz BOYIAXPYGCVBQQ-VSKPTYQZSA-N 1 0 247.407 3.527 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H]1CCSC1 ZINC000255906073 385146874 /nfs/dbraw/zinc/14/68/74/385146874.db2.gz BOYIAXPYGCVBQQ-WVUXNXBLSA-N 1 0 247.407 3.527 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3CCCC3)[nH]c2c1 ZINC000257884948 488091173 /nfs/dbraw/zinc/09/11/73/488091173.db2.gz KWMVKBLGQOFEMO-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO Fc1cccc2[nH]c(C[NH+]3CCCCCC3)cc21 ZINC000257897768 322874026 /nfs/dbraw/zinc/87/40/26/322874026.db2.gz ARFCFOAFFOIJNB-UHFFFAOYSA-N 1 0 246.329 3.683 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3CCCC3)cc21 ZINC000257956797 488093286 /nfs/dbraw/zinc/09/32/86/488093286.db2.gz XUHSJADFEJHBEC-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO c1c2ccccc2oc1C[NH+]1CCCCCC1 ZINC000257978892 322874101 /nfs/dbraw/zinc/87/41/01/322874101.db2.gz JHMVWDXVTSXKNY-UHFFFAOYSA-N 1 0 229.323 3.809 20 0 BHADRO c1c2ccccc2sc1C[NH2+]C1CCC1 ZINC000258027960 135131908 /nfs/dbraw/zinc/13/19/08/135131908.db2.gz MQUBYRASZAPAAH-UHFFFAOYSA-N 1 0 217.337 3.543 20 0 BHADRO Fc1ccc2oc(C[NH+]3CCCCCC3)cc2c1 ZINC000258047019 322874304 /nfs/dbraw/zinc/87/43/04/322874304.db2.gz OCCWWVVILWNHTM-UHFFFAOYSA-N 1 0 247.313 3.948 20 0 BHADRO Fc1ccc2cc(C[NH+]3CCCCCC3)[nH]c2c1 ZINC000258142860 322874541 /nfs/dbraw/zinc/87/45/41/322874541.db2.gz WDEHONMHHVZIAI-UHFFFAOYSA-N 1 0 246.329 3.683 20 0 BHADRO c1oc2ccccc2c1C[NH+]1CCCCCC1 ZINC000258797064 384943298 /nfs/dbraw/zinc/94/32/98/384943298.db2.gz QPECYNNYZJOERC-UHFFFAOYSA-N 1 0 229.323 3.809 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000258955213 488144397 /nfs/dbraw/zinc/14/43/97/488144397.db2.gz RDFDMYPOLYOXJU-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000258955223 488143693 /nfs/dbraw/zinc/14/36/93/488143693.db2.gz RDFDMYPOLYOXJU-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000258955235 487563700 /nfs/dbraw/zinc/56/37/00/487563700.db2.gz RDFDMYPOLYOXJU-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000258955245 488144648 /nfs/dbraw/zinc/14/46/48/488144648.db2.gz RDFDMYPOLYOXJU-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO Cc1sc([C@H](C)[NH3+])nc1-c1cc(C)ccc1C ZINC000259068606 135136716 /nfs/dbraw/zinc/13/67/16/135136716.db2.gz CAXNZWLYYNFBTF-JTQLQIEISA-N 1 0 246.379 3.755 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1cccc(N)c1 ZINC000259076287 536322542 /nfs/dbraw/zinc/32/25/42/536322542.db2.gz SGZBMMKFHXEXKY-UHFFFAOYSA-N 1 0 246.398 3.671 20 0 BHADRO CC[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000259116886 409732872 /nfs/dbraw/zinc/73/28/72/409732872.db2.gz PLPSMOLCLXGNGW-UHFFFAOYSA-N 1 0 225.335 3.805 20 0 BHADRO [NH3+]Cc1cccc(-c2nc(C3CCC3)cs2)c1 ZINC000259184570 384963321 /nfs/dbraw/zinc/96/33/21/384963321.db2.gz JYCQOTKXVQRWAU-UHFFFAOYSA-N 1 0 244.363 3.536 20 0 BHADRO [NH3+]Cc1ccc(-c2nc(C3CCC3)cs2)cc1 ZINC000259199356 384962242 /nfs/dbraw/zinc/96/22/42/384962242.db2.gz KZJSMBVTYGOHQG-UHFFFAOYSA-N 1 0 244.363 3.536 20 0 BHADRO Cc1sc([C@@H](C)[NH3+])nc1C1CCCCC1 ZINC000259235466 135141481 /nfs/dbraw/zinc/14/14/81/135141481.db2.gz MQADJKILBJAXEG-MRVPVSSYSA-N 1 0 224.373 3.519 20 0 BHADRO Cc1sc([C@H](C)[NH3+])nc1C1CCCCC1 ZINC000259235473 135141727 /nfs/dbraw/zinc/14/17/27/135141727.db2.gz MQADJKILBJAXEG-QMMMGPOBSA-N 1 0 224.373 3.519 20 0 BHADRO CC(C)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000259470512 345340047 /nfs/dbraw/zinc/34/00/47/345340047.db2.gz QSUUGGMAUJDKRG-UHFFFAOYSA-N 1 0 242.366 3.572 20 0 BHADRO CCCCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000259480641 323016051 /nfs/dbraw/zinc/01/60/51/323016051.db2.gz RIXTXLVNKRGERS-UHFFFAOYSA-N 1 0 242.366 3.716 20 0 BHADRO CC(C)c1ccc(CC[N@@H+](C)C(C)C)cc1 ZINC000259934479 384971450 /nfs/dbraw/zinc/97/14/50/384971450.db2.gz FOAUSMNMWKWNTN-UHFFFAOYSA-N 1 0 219.372 3.693 20 0 BHADRO CC(C)[N@H+](C)CCc1cccc2ccccc21 ZINC000259956355 384971666 /nfs/dbraw/zinc/97/16/66/384971666.db2.gz HAXAQBXENRESIO-UHFFFAOYSA-N 1 0 227.351 3.723 20 0 BHADRO CC(C)c1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000259978972 384972134 /nfs/dbraw/zinc/97/21/34/384972134.db2.gz IMLKQCHIEAKSFK-UHFFFAOYSA-N 1 0 205.345 3.650 20 0 BHADRO CSCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000261368438 323196506 /nfs/dbraw/zinc/19/65/06/323196506.db2.gz ZBYYSNGUQJUXCE-UHFFFAOYSA-N 1 0 237.412 3.605 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000261378472 323320573 /nfs/dbraw/zinc/32/05/73/323320573.db2.gz AJYIEZBVDURSHY-NXEZZACHSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C)C1 ZINC000261378474 323320781 /nfs/dbraw/zinc/32/07/81/323320781.db2.gz AJYIEZBVDURSHY-UWVGGRQHSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C)C1 ZINC000261378475 323320964 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/nfs/dbraw/zinc/32/45/00/323324500.db2.gz GRGHOGWKLWETHK-SECBINFHSA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000261382703 323324645 /nfs/dbraw/zinc/32/46/45/323324645.db2.gz GRGHOGWKLWETHK-VIFPVBQESA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261383876 135150500 /nfs/dbraw/zinc/15/05/00/135150500.db2.gz JWWYLZYMULOZME-JTQLQIEISA-N 1 0 243.272 3.547 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261383878 135149908 /nfs/dbraw/zinc/14/99/08/135149908.db2.gz JWWYLZYMULOZME-SNVBAGLBSA-N 1 0 243.272 3.547 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000261392464 323327361 /nfs/dbraw/zinc/32/73/61/323327361.db2.gz PIXMXDYOOAKEOX-GHMZBOCLSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000261392465 323327464 /nfs/dbraw/zinc/32/74/64/323327464.db2.gz PIXMXDYOOAKEOX-MNOVXSKESA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C)C1 ZINC000261392466 323327790 /nfs/dbraw/zinc/32/77/90/323327790.db2.gz PIXMXDYOOAKEOX-QWRGUYRKSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C)C1 ZINC000261392467 323327455 /nfs/dbraw/zinc/32/74/55/323327455.db2.gz PIXMXDYOOAKEOX-WDEREUQCSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000261397289 323328498 /nfs/dbraw/zinc/32/84/98/323328498.db2.gz TVBCOJNBZJXXCP-GHMZBOCLSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000261397291 323328538 /nfs/dbraw/zinc/32/85/38/323328538.db2.gz TVBCOJNBZJXXCP-MNOVXSKESA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000261397293 323328394 /nfs/dbraw/zinc/32/83/94/323328394.db2.gz TVBCOJNBZJXXCP-QWRGUYRKSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000261397296 323328171 /nfs/dbraw/zinc/32/81/71/323328171.db2.gz TVBCOJNBZJXXCP-WDEREUQCSA-N 1 0 223.747 3.743 20 0 BHADRO CC[N@@H+](Cc1c(F)cccc1Cl)CC1CC1 ZINC000261440012 387809169 /nfs/dbraw/zinc/80/91/69/387809169.db2.gz FTVYGLHPPOZHON-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[N@@H+](Cc1cc(C)ccc1C)CC1CC1 ZINC000261446767 387814670 /nfs/dbraw/zinc/81/46/70/387814670.db2.gz HQCDEWKTUFDBCC-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC[N@@H+](Cc1ccccc1OC(C)C)CC1CC1 ZINC000261451838 343096003 /nfs/dbraw/zinc/09/60/03/343096003.db2.gz IWSKRPQFRAEOKG-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[N@H+](CCc1ccccc1Cl)CC1CC1 ZINC000261458215 358850275 /nfs/dbraw/zinc/85/02/75/358850275.db2.gz LAGDOXDVWUIPBK-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000261460472 398102711 /nfs/dbraw/zinc/10/27/11/398102711.db2.gz LSSYCHFYEVWTEH-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCCCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000261465727 398104229 /nfs/dbraw/zinc/10/42/29/398104229.db2.gz UAQHNODQVVEZOJ-UHFFFAOYSA-N 1 0 247.382 3.762 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)cc1)CC1CC1 ZINC000261467056 323149681 /nfs/dbraw/zinc/14/96/81/323149681.db2.gz NXUYNDBFWDGTKM-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO Cc1cc(-c2csc([C@H](C)[NH3+])n2)c(C)s1 ZINC000261583074 135224215 /nfs/dbraw/zinc/22/42/15/135224215.db2.gz OVNBQXUESXBYQV-ZETCQYMHSA-N 1 0 238.381 3.508 20 0 BHADRO CCC(C)(C)c1csc(C2([NH3+])CCCC2)n1 ZINC000261591107 135232166 /nfs/dbraw/zinc/23/21/66/135232166.db2.gz VANKBVNLRQROFQ-UHFFFAOYSA-N 1 0 238.400 3.559 20 0 BHADRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000261602732 635505821 /nfs/dbraw/zinc/50/58/21/635505821.db2.gz CIYGKIOCXIGDCG-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000261602733 631814561 /nfs/dbraw/zinc/81/45/61/631814561.db2.gz CIYGKIOCXIGDCG-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO C[N@H+](Cc1cccc(N)c1)C1CCCCCCC1 ZINC000261626836 135241553 /nfs/dbraw/zinc/24/15/53/135241553.db2.gz CYCXEOHHSUCTKI-UHFFFAOYSA-N 1 0 246.398 3.814 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261660109 135243652 /nfs/dbraw/zinc/24/36/52/135243652.db2.gz IXRPVIRRWZPTOU-AWEZNQCLSA-N 1 0 246.398 3.527 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261660112 135243462 /nfs/dbraw/zinc/24/34/62/135243462.db2.gz IXRPVIRRWZPTOU-CQSZACIVSA-N 1 0 246.398 3.527 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261686693 135245968 /nfs/dbraw/zinc/24/59/68/135245968.db2.gz MJNUNLYBDWXQJN-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261686696 135245992 /nfs/dbraw/zinc/24/59/92/135245992.db2.gz MJNUNLYBDWXQJN-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000261771749 135251762 /nfs/dbraw/zinc/25/17/62/135251762.db2.gz ZDLQKVOUKRXAFY-HNNXBMFYSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000261771751 135251644 /nfs/dbraw/zinc/25/16/44/135251644.db2.gz ZDLQKVOUKRXAFY-OAHLLOKOSA-N 1 0 246.398 3.669 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2cccnc2)cc1 ZINC000263725531 178884033 /nfs/dbraw/zinc/88/40/33/178884033.db2.gz GCTHSMSBLJBKQI-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cccnc2)cc1 ZINC000263725537 386169697 /nfs/dbraw/zinc/16/96/97/386169697.db2.gz GCTHSMSBLJBKQI-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000263787131 188371248 /nfs/dbraw/zinc/37/12/48/188371248.db2.gz PRIHTHZADAZMRL-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCCCCO ZINC000263794771 351188027 /nfs/dbraw/zinc/18/80/27/351188027.db2.gz RNYVRWGXPQMHDT-INIZCTEOSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCCCCO ZINC000263794774 386177930 /nfs/dbraw/zinc/17/79/30/386177930.db2.gz RNYVRWGXPQMHDT-MRXNPFEDSA-N 1 0 249.398 3.622 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@H](C)c1cccnc1 ZINC000263918788 351199651 /nfs/dbraw/zinc/19/96/51/351199651.db2.gz QDOCIAYITMTVOO-GFCCVEGCSA-N 1 0 246.379 3.726 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@@H](C)c1cccnc1 ZINC000263918790 351199589 /nfs/dbraw/zinc/19/95/89/351199589.db2.gz QDOCIAYITMTVOO-LBPRGKRZSA-N 1 0 246.379 3.726 20 0 BHADRO COCCCCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000264003860 174175698 /nfs/dbraw/zinc/17/56/98/174175698.db2.gz BQGIPEVWWIYHOI-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO COCCCCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000264003861 174175156 /nfs/dbraw/zinc/17/51/56/174175156.db2.gz BQGIPEVWWIYHOI-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO Fc1ccccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000264022306 181011515 /nfs/dbraw/zinc/01/15/15/181011515.db2.gz XAOZKFCKTWTAQK-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO CCC[N@H+](CCCCO)[C@@H](CC)c1ccccc1 ZINC000264024782 169154564 /nfs/dbraw/zinc/15/45/64/169154564.db2.gz XSKTWJGHRHJCIU-INIZCTEOSA-N 1 0 249.398 3.622 20 0 BHADRO CCC[N@H+](CCCCO)[C@H](CC)c1ccccc1 ZINC000264024783 169154692 /nfs/dbraw/zinc/15/46/92/169154692.db2.gz XSKTWJGHRHJCIU-MRXNPFEDSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@H+](C)CCCCO)cc1 ZINC000264026042 344537743 /nfs/dbraw/zinc/53/77/43/344537743.db2.gz YEHWKKGVMOOBKK-AWEZNQCLSA-N 1 0 249.398 3.575 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@H+](C)CCCCO)cc1 ZINC000264026043 344537516 /nfs/dbraw/zinc/53/75/16/344537516.db2.gz YEHWKKGVMOOBKK-CQSZACIVSA-N 1 0 249.398 3.575 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCC(F)(F)F ZINC000264160865 177034076 /nfs/dbraw/zinc/03/40/76/177034076.db2.gz FWRQEPNONCHEGD-SECBINFHSA-N 1 0 249.251 3.771 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC(F)(F)F ZINC000264160866 176015421 /nfs/dbraw/zinc/01/54/21/176015421.db2.gz FWRQEPNONCHEGD-VIFPVBQESA-N 1 0 249.251 3.771 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000264260503 179334671 /nfs/dbraw/zinc/33/46/71/179334671.db2.gz IIKGYJMMSJDGAS-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000264260506 179317821 /nfs/dbraw/zinc/31/78/21/179317821.db2.gz IIKGYJMMSJDGAS-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccccn1 ZINC000264288923 351231915 /nfs/dbraw/zinc/23/19/15/351231915.db2.gz QUFFQBFHEGHRFA-INIZCTEOSA-N 1 0 240.350 3.665 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000264361912 388991929 /nfs/dbraw/zinc/99/19/29/388991929.db2.gz IIWJFNBKFFRJJN-ABAIWWIYSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000264361914 176377445 /nfs/dbraw/zinc/37/74/45/176377445.db2.gz IIWJFNBKFFRJJN-IAQYHMDHSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000264361917 177370160 /nfs/dbraw/zinc/37/01/60/177370160.db2.gz IIWJFNBKFFRJJN-NHYWBVRUSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000264361923 177333461 /nfs/dbraw/zinc/33/34/61/177333461.db2.gz IIWJFNBKFFRJJN-XHDPSFHLSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000264392331 388991778 /nfs/dbraw/zinc/99/17/78/388991778.db2.gz SETALTJPHBEONO-ABAIWWIYSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000264392335 176377927 /nfs/dbraw/zinc/37/79/27/176377927.db2.gz SETALTJPHBEONO-IAQYHMDHSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000264392339 177370465 /nfs/dbraw/zinc/37/04/65/177370465.db2.gz SETALTJPHBEONO-NHYWBVRUSA-N 1 0 227.307 3.618 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000264392343 177333924 /nfs/dbraw/zinc/33/39/24/177333924.db2.gz SETALTJPHBEONO-XHDPSFHLSA-N 1 0 227.307 3.618 20 0 BHADRO Cc1ccsc1C[NH2+]C1(c2ccccc2)CC1 ZINC000264559707 386248405 /nfs/dbraw/zinc/24/84/05/386248405.db2.gz MWLQQZFNXWZIOB-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccno1 ZINC000264702058 351252181 /nfs/dbraw/zinc/25/21/81/351252181.db2.gz KCMRQBMBQZDRLE-HNNXBMFYSA-N 1 0 244.338 3.648 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccno1 ZINC000264702061 386263670 /nfs/dbraw/zinc/26/36/70/386263670.db2.gz KCMRQBMBQZDRLE-OAHLLOKOSA-N 1 0 244.338 3.648 20 0 BHADRO CC[C@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000265110863 398130098 /nfs/dbraw/zinc/13/00/98/398130098.db2.gz BURZGODETACHSB-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000265110865 398129993 /nfs/dbraw/zinc/12/99/93/398129993.db2.gz BURZGODETACHSB-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000265238131 168286460 /nfs/dbraw/zinc/28/64/60/168286460.db2.gz QSZOFPBICZONNN-UHFFFAOYSA-N 1 0 248.326 3.555 20 0 BHADRO C[C@H](C[N@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000265359023 386331081 /nfs/dbraw/zinc/33/10/81/386331081.db2.gz WJAMSUADYSGEGI-LLVKDONJSA-N 1 0 245.288 3.674 20 0 BHADRO C[C@@H](C[N@H+](C)CCC(F)(F)F)c1ccccc1 ZINC000265359025 386330416 /nfs/dbraw/zinc/33/04/16/386330416.db2.gz WJAMSUADYSGEGI-NSHDSACASA-N 1 0 245.288 3.674 20 0 BHADRO COCCCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000265477853 174190537 /nfs/dbraw/zinc/19/05/37/174190537.db2.gz RMBZFBBREXAUCD-AWEZNQCLSA-N 1 0 247.382 3.639 20 0 BHADRO COCCCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000265477854 174190945 /nfs/dbraw/zinc/19/09/45/174190945.db2.gz RMBZFBBREXAUCD-CQSZACIVSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@@H](c1cccnc1)[NH+]1CCC2(CCCC2)CC1 ZINC000265654979 176029183 /nfs/dbraw/zinc/02/91/83/176029183.db2.gz OZFUPPLAMAGOET-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1cccnc1)[NH+]1CCC2(CCCC2)CC1 ZINC000265654980 177045077 /nfs/dbraw/zinc/04/50/77/177045077.db2.gz OZFUPPLAMAGOET-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO FC(F)(F)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000265827876 386376318 /nfs/dbraw/zinc/37/63/18/386376318.db2.gz JSVRVUHMGUCJIJ-UHFFFAOYSA-N 1 0 243.272 3.608 20 0 BHADRO C[N@H+](CCC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000265877935 386380974 /nfs/dbraw/zinc/38/09/74/386380974.db2.gz XLYYHRIEYVGQIE-GFCCVEGCSA-N 1 0 243.272 3.558 20 0 BHADRO C[N@H+](CCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000265877938 386382119 /nfs/dbraw/zinc/38/21/19/386382119.db2.gz XLYYHRIEYVGQIE-LBPRGKRZSA-N 1 0 243.272 3.558 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CCC(F)(F)F ZINC000265879128 177048472 /nfs/dbraw/zinc/04/84/72/177048472.db2.gz XYGHMBFDYJEGAA-MRVPVSSYSA-N 1 0 237.290 3.693 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CCC(F)(F)F ZINC000265879130 176033450 /nfs/dbraw/zinc/03/34/50/176033450.db2.gz XYGHMBFDYJEGAA-QMMMGPOBSA-N 1 0 237.290 3.693 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccncc1 ZINC000265981722 179334092 /nfs/dbraw/zinc/33/40/92/179334092.db2.gz BRAHWFIGZJFRJY-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccncc1 ZINC000265981723 179317961 /nfs/dbraw/zinc/31/79/61/179317961.db2.gz BRAHWFIGZJFRJY-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)Cc1ccncc1 ZINC000266021055 386391859 /nfs/dbraw/zinc/39/18/59/386391859.db2.gz OQFPGRFXKIWUNG-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000266050052 176028504 /nfs/dbraw/zinc/02/85/04/176028504.db2.gz YSXCWYIXGAXKMJ-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000266050055 177045109 /nfs/dbraw/zinc/04/51/09/177045109.db2.gz YSXCWYIXGAXKMJ-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000266161765 386406555 /nfs/dbraw/zinc/40/65/55/386406555.db2.gz NUKMSGLHOJEIJF-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000266172347 179027768 /nfs/dbraw/zinc/02/77/68/179027768.db2.gz RORGANGJBAZRII-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000266175541 386407604 /nfs/dbraw/zinc/40/76/04/386407604.db2.gz DSWCMKNGRDKLRG-AWEZNQCLSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000266175545 386408539 /nfs/dbraw/zinc/40/85/39/386408539.db2.gz DSWCMKNGRDKLRG-CQSZACIVSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000266180671 386408691 /nfs/dbraw/zinc/40/86/91/386408691.db2.gz GBUDEBZDPFQODE-BLLLJJGKSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000266180672 386407427 /nfs/dbraw/zinc/40/74/27/386407427.db2.gz GBUDEBZDPFQODE-LRDDRELGSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000266180674 386408873 /nfs/dbraw/zinc/40/88/73/386408873.db2.gz GBUDEBZDPFQODE-MLGOLLRUSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000266180676 386408161 /nfs/dbraw/zinc/40/81/61/386408161.db2.gz GBUDEBZDPFQODE-WBMJQRKESA-N 1 0 241.334 3.611 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000266184400 386408345 /nfs/dbraw/zinc/40/83/45/386408345.db2.gz GUIDWAOEMXBFCM-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000266184404 188022186 /nfs/dbraw/zinc/02/21/86/188022186.db2.gz GUIDWAOEMXBFCM-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1ccccc1 ZINC000266200377 387401784 /nfs/dbraw/zinc/40/17/84/387401784.db2.gz KZZBTITXWAQZCK-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO Cc1ccoc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000266202035 386410449 /nfs/dbraw/zinc/41/04/49/386410449.db2.gz LKVICSOWFSUWOZ-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000266203454 388995668 /nfs/dbraw/zinc/99/56/68/388995668.db2.gz LTLPPVLINGNNNP-AWEZNQCLSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000266203457 179529052 /nfs/dbraw/zinc/52/90/52/179529052.db2.gz LTLPPVLINGNNNP-CQSZACIVSA-N 1 0 245.297 3.504 20 0 BHADRO CC[C@H]([NH2+]Cc1occc1C)c1ccc(F)cc1 ZINC000266209853 388995738 /nfs/dbraw/zinc/99/57/38/388995738.db2.gz NZFCHIZBDPQPER-AWEZNQCLSA-N 1 0 247.313 3.968 20 0 BHADRO CC[C@@H]([NH2+]Cc1occc1C)c1ccc(F)cc1 ZINC000266209855 364725134 /nfs/dbraw/zinc/72/51/34/364725134.db2.gz NZFCHIZBDPQPER-CQSZACIVSA-N 1 0 247.313 3.968 20 0 BHADRO Cc1ccoc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000266209891 388995199 /nfs/dbraw/zinc/99/51/99/388995199.db2.gz OCCJSTVGTHKJCR-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO CSc1ccc(C[NH2+]Cc2occc2C)cc1 ZINC000266211418 388994920 /nfs/dbraw/zinc/99/49/20/388994920.db2.gz OLEFYAWGZRWBOS-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000266212959 178952361 /nfs/dbraw/zinc/95/23/61/178952361.db2.gz OYHYAMOOCYICIW-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000266212961 388995786 /nfs/dbraw/zinc/99/57/86/388995786.db2.gz OYHYAMOOCYICIW-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000266225268 179531656 /nfs/dbraw/zinc/53/16/56/179531656.db2.gz SKIIEXAQTKTVNM-AWEZNQCLSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000266225271 388995524 /nfs/dbraw/zinc/99/55/24/388995524.db2.gz SKIIEXAQTKTVNM-CQSZACIVSA-N 1 0 245.297 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000266478185 176905957 /nfs/dbraw/zinc/90/59/57/176905957.db2.gz POOUACWLPYOZPA-APHBMKBZSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000266478186 176929222 /nfs/dbraw/zinc/92/92/22/176929222.db2.gz POOUACWLPYOZPA-MAZHCROVSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000266478188 386438975 /nfs/dbraw/zinc/43/89/75/386438975.db2.gz POOUACWLPYOZPA-RCBQFDQVSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000266478190 386440334 /nfs/dbraw/zinc/44/03/34/386440334.db2.gz POOUACWLPYOZPA-VBNZEHGJSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000266662675 386459763 /nfs/dbraw/zinc/45/97/63/386459763.db2.gz MIKPVMJQCZHZFH-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000266662678 397937785 /nfs/dbraw/zinc/93/77/85/397937785.db2.gz MIKPVMJQCZHZFH-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000266742431 386464913 /nfs/dbraw/zinc/46/49/13/386464913.db2.gz OJGXLXCFGCDBQL-KGLIPLIRSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000266742434 188372454 /nfs/dbraw/zinc/37/24/54/188372454.db2.gz OJGXLXCFGCDBQL-ZIAGYGMSSA-N 1 0 232.371 3.511 20 0 BHADRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccccc1 ZINC000266776180 168318840 /nfs/dbraw/zinc/31/88/40/168318840.db2.gz LQAUPMFDGVQVRO-AWEZNQCLSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccccc1 ZINC000266776182 168318878 /nfs/dbraw/zinc/31/88/78/168318878.db2.gz LQAUPMFDGVQVRO-CQSZACIVSA-N 1 0 249.398 3.526 20 0 BHADRO C[C@H]1C[N@H+](CCC(F)(F)F)[C@H]1c1ccccc1 ZINC000266869533 177246637 /nfs/dbraw/zinc/24/66/37/177246637.db2.gz OZOJWOVLUWSCOS-CMPLNLGQSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@H]1C[N@H+](CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000266869537 177247060 /nfs/dbraw/zinc/24/70/60/177247060.db2.gz OZOJWOVLUWSCOS-JQWIXIFHSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@@H]1C[N@H+](CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000266869541 176286225 /nfs/dbraw/zinc/28/62/25/176286225.db2.gz OZOJWOVLUWSCOS-PWSUYJOCSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@@H]1C[N@H+](CCC(F)(F)F)[C@H]1c1ccccc1 ZINC000266869544 176286477 /nfs/dbraw/zinc/28/64/77/176286477.db2.gz OZOJWOVLUWSCOS-ZYHUDNBSSA-N 1 0 243.272 3.632 20 0 BHADRO Cc1ccsc1C[N@H+](C)Cc1cccs1 ZINC000266974862 397942266 /nfs/dbraw/zinc/94/22/66/397942266.db2.gz ICXYGLINKXGPOV-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000267338721 386530543 /nfs/dbraw/zinc/53/05/43/386530543.db2.gz DFTDKOVHMMEPMT-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000267339831 386529976 /nfs/dbraw/zinc/52/99/76/386529976.db2.gz DFTDKOVHMMEPMT-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[C@@H](c1ccccn1)[NH+]1CCC2(CCCC2)CC1 ZINC000267416879 176027407 /nfs/dbraw/zinc/02/74/07/176027407.db2.gz VIPDJOAKJCJCKG-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CCC2(CCCC2)CC1 ZINC000267416882 177043745 /nfs/dbraw/zinc/04/37/45/177043745.db2.gz VIPDJOAKJCJCKG-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CCCCCCO ZINC000267523958 179334368 /nfs/dbraw/zinc/33/43/68/179334368.db2.gz NGKQIYAUASMVGZ-HNNXBMFYSA-N 1 0 249.398 3.541 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCCCCO ZINC000267523960 179318138 /nfs/dbraw/zinc/31/81/38/179318138.db2.gz NGKQIYAUASMVGZ-OAHLLOKOSA-N 1 0 249.398 3.541 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000267560948 178229428 /nfs/dbraw/zinc/22/94/28/178229428.db2.gz AXJUGJBJCSNLHS-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000267560950 178252437 /nfs/dbraw/zinc/25/24/37/178252437.db2.gz AXJUGJBJCSNLHS-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccco2)ccc1F ZINC000267635978 178229786 /nfs/dbraw/zinc/22/97/86/178229786.db2.gz UNEMNOPQJGGFAL-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccco2)ccc1F ZINC000267635981 178251366 /nfs/dbraw/zinc/25/13/66/178251366.db2.gz UNEMNOPQJGGFAL-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)o1 ZINC000267643449 178630153 /nfs/dbraw/zinc/63/01/53/178630153.db2.gz WCANSZSKHDRBIY-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(C)c2)o1 ZINC000267643451 386565225 /nfs/dbraw/zinc/56/52/25/386565225.db2.gz WCANSZSKHDRBIY-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cnc(Cl)s1 ZINC000267918510 168317148 /nfs/dbraw/zinc/31/71/48/168317148.db2.gz HVBBSNOCCDARBF-UHFFFAOYSA-N 1 0 246.807 3.855 20 0 BHADRO CC[N@H+](Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000267942414 351325608 /nfs/dbraw/zinc/32/56/08/351325608.db2.gz UVJGKOLELOFSNM-AWEZNQCLSA-N 1 0 240.350 3.665 20 0 BHADRO CC[N@H+](Cc1ccncc1)[C@H](C)c1ccccc1 ZINC000267942415 351325194 /nfs/dbraw/zinc/32/51/94/351325194.db2.gz UVJGKOLELOFSNM-CQSZACIVSA-N 1 0 240.350 3.665 20 0 BHADRO Cc1ccc([C@H]([NH2+]Cc2cc[nH]c2)C2CC2)cc1 ZINC000267953849 386604654 /nfs/dbraw/zinc/60/46/54/386604654.db2.gz UZXXFTKNESZELI-INIZCTEOSA-N 1 0 240.350 3.564 20 0 BHADRO Cc1ccc([C@@H]([NH2+]Cc2cc[nH]c2)C2CC2)cc1 ZINC000267953852 386603284 /nfs/dbraw/zinc/60/32/84/386603284.db2.gz UZXXFTKNESZELI-MRXNPFEDSA-N 1 0 240.350 3.564 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]Cc1cc[nH]c1)C1CC1 ZINC000267963274 179326952 /nfs/dbraw/zinc/32/69/52/179326952.db2.gz YDFWDTINFANPOB-INIZCTEOSA-N 1 0 240.350 3.564 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]Cc1cc[nH]c1)C1CC1 ZINC000267963276 179345614 /nfs/dbraw/zinc/34/56/14/179345614.db2.gz YDFWDTINFANPOB-MRXNPFEDSA-N 1 0 240.350 3.564 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000268156575 176132239 /nfs/dbraw/zinc/13/22/39/176132239.db2.gz SGWFVBKMKRMONH-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000268156576 176150268 /nfs/dbraw/zinc/15/02/68/176150268.db2.gz SGWFVBKMKRMONH-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000268156577 177142888 /nfs/dbraw/zinc/14/28/88/177142888.db2.gz SGWFVBKMKRMONH-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000268156578 177126879 /nfs/dbraw/zinc/12/68/79/177126879.db2.gz SGWFVBKMKRMONH-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CCc1ccc(C[NH2+]C2(c3ccccc3)CC2)o1 ZINC000268440298 386650772 /nfs/dbraw/zinc/65/07/72/386650772.db2.gz RIMHENWJNYDMND-UHFFFAOYSA-N 1 0 241.334 3.621 20 0 BHADRO Clc1cc2cccnc2c(C[NH2+]C2CCC2)c1 ZINC000268663678 180574512 /nfs/dbraw/zinc/57/45/12/180574512.db2.gz IYWGNEPCRQDTOL-UHFFFAOYSA-N 1 0 246.741 3.530 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000268695396 535369041 /nfs/dbraw/zinc/36/90/41/535369041.db2.gz BLPIQFOBBATFRR-KBPBESRZSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000268695398 135161695 /nfs/dbraw/zinc/16/16/95/135161695.db2.gz BLPIQFOBBATFRR-KGLIPLIRSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000268695399 187508179 /nfs/dbraw/zinc/50/81/79/187508179.db2.gz BLPIQFOBBATFRR-UONOGXRCSA-N 1 0 232.371 3.867 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000268695401 187333637 /nfs/dbraw/zinc/33/36/37/187333637.db2.gz BLPIQFOBBATFRR-ZIAGYGMSSA-N 1 0 232.371 3.867 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc2c(c1)COC2 ZINC000268696337 386682495 /nfs/dbraw/zinc/68/24/95/386682495.db2.gz CDOKRKSEQSXJMI-GFCCVEGCSA-N 1 0 245.366 3.700 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc2c(c1)COC2 ZINC000268696339 386681918 /nfs/dbraw/zinc/68/19/18/386681918.db2.gz CDOKRKSEQSXJMI-LBPRGKRZSA-N 1 0 245.366 3.700 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268702111 168392491 /nfs/dbraw/zinc/39/24/91/168392491.db2.gz FZGIHCHBLZKQRY-LLVKDONJSA-N 1 0 233.355 3.556 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268702114 168391752 /nfs/dbraw/zinc/39/17/52/168391752.db2.gz FZGIHCHBLZKQRY-NSHDSACASA-N 1 0 233.355 3.556 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268717108 386687085 /nfs/dbraw/zinc/68/70/85/386687085.db2.gz MZEJAUJYBWHGCJ-GFCCVEGCSA-N 1 0 233.355 3.558 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268717110 386687120 /nfs/dbraw/zinc/68/71/20/386687120.db2.gz MZEJAUJYBWHGCJ-LBPRGKRZSA-N 1 0 233.355 3.558 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc2ccccc2n1 ZINC000268782680 386694465 /nfs/dbraw/zinc/69/44/65/386694465.db2.gz AZGCFXUCOIWNIY-DYEKYZERSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc2ccccc2n1 ZINC000268782681 386694658 /nfs/dbraw/zinc/69/46/58/386694658.db2.gz AZGCFXUCOIWNIY-MBNYWOFBSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc2ccccc2n1 ZINC000268782682 386694893 /nfs/dbraw/zinc/69/48/93/386694893.db2.gz AZGCFXUCOIWNIY-OBJOEFQTSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc2ccccc2n1 ZINC000268782684 386694544 /nfs/dbraw/zinc/69/45/44/386694544.db2.gz AZGCFXUCOIWNIY-SGMGOOAPSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccc2c(c1)COC2 ZINC000268798319 175870053 /nfs/dbraw/zinc/87/00/53/175870053.db2.gz AFPNFZVQKAXOBD-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccc2c(c1)COC2 ZINC000268798320 176838503 /nfs/dbraw/zinc/83/85/03/176838503.db2.gz AFPNFZVQKAXOBD-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000268802070 188023781 /nfs/dbraw/zinc/02/37/81/188023781.db2.gz ZAEKNSARSKPDAV-CYBMUJFWSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000268802073 386695095 /nfs/dbraw/zinc/69/50/95/386695095.db2.gz ZAEKNSARSKPDAV-ZDUSSCGKSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000268806611 386699709 /nfs/dbraw/zinc/69/97/09/386699709.db2.gz CURLYTMALRCBJZ-LLVKDONJSA-N 1 0 236.359 3.516 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000268806612 386697908 /nfs/dbraw/zinc/69/79/08/386697908.db2.gz CURLYTMALRCBJZ-NSHDSACASA-N 1 0 236.359 3.516 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000268829481 174817961 /nfs/dbraw/zinc/81/79/61/174817961.db2.gz JMIDCLCCPZWRPK-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000268829484 174691173 /nfs/dbraw/zinc/69/11/73/174691173.db2.gz JMIDCLCCPZWRPK-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000268829486 389005115 /nfs/dbraw/zinc/00/51/15/389005115.db2.gz JMIDCLCCPZWRPK-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000268829489 174818718 /nfs/dbraw/zinc/81/87/18/174818718.db2.gz JMIDCLCCPZWRPK-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000268890998 174263230 /nfs/dbraw/zinc/26/32/30/174263230.db2.gz YCJDXGZLSHQQTF-CABCVRRESA-N 1 0 249.398 3.585 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000268890999 174262888 /nfs/dbraw/zinc/26/28/88/174262888.db2.gz YCJDXGZLSHQQTF-GJZGRUSLSA-N 1 0 249.398 3.585 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000268891001 174260234 /nfs/dbraw/zinc/26/02/34/174260234.db2.gz YCJDXGZLSHQQTF-HUUCEWRRSA-N 1 0 249.398 3.585 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000268891003 174260998 /nfs/dbraw/zinc/26/09/98/174260998.db2.gz YCJDXGZLSHQQTF-LSDHHAIUSA-N 1 0 249.398 3.585 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(F)(F)F)c1C ZINC000268900495 179180492 /nfs/dbraw/zinc/18/04/92/179180492.db2.gz BIQZMGOXVWBTCA-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(F)(F)F)c1C ZINC000268900512 179195352 /nfs/dbraw/zinc/19/53/52/179195352.db2.gz BIQZMGOXVWBTCA-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000268906875 398343858 /nfs/dbraw/zinc/34/38/58/398343858.db2.gz GZVIOAQDJBPYGK-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCC(F)(F)F)o1 ZINC000268914162 386716496 /nfs/dbraw/zinc/71/64/96/386716496.db2.gz ILPKNPCPZOTFLV-SECBINFHSA-N 1 0 249.276 3.835 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCC(F)(F)F)o1 ZINC000268914164 386718507 /nfs/dbraw/zinc/71/85/07/386718507.db2.gz ILPKNPCPZOTFLV-VIFPVBQESA-N 1 0 249.276 3.835 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](CCCF)C1CC1 ZINC000268929728 177039333 /nfs/dbraw/zinc/03/93/33/177039333.db2.gz XRBKGBCFSJEOBE-GFCCVEGCSA-N 1 0 221.319 3.572 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](CCCF)C1CC1 ZINC000268929730 176020788 /nfs/dbraw/zinc/02/07/88/176020788.db2.gz XRBKGBCFSJEOBE-LBPRGKRZSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000268992779 350842712 /nfs/dbraw/zinc/84/27/12/350842712.db2.gz JZQXLYAXXQHSEY-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000268992780 386690229 /nfs/dbraw/zinc/69/02/29/386690229.db2.gz JZQXLYAXXQHSEY-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000268992781 350842889 /nfs/dbraw/zinc/84/28/89/350842889.db2.gz JZQXLYAXXQHSEY-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000268992782 386690038 /nfs/dbraw/zinc/69/00/38/386690038.db2.gz JZQXLYAXXQHSEY-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000269002483 389007566 /nfs/dbraw/zinc/00/75/66/389007566.db2.gz PPRVTIOLSYAHQP-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000269002485 389007052 /nfs/dbraw/zinc/00/70/52/389007052.db2.gz PPRVTIOLSYAHQP-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)(C)C ZINC000269057761 176916825 /nfs/dbraw/zinc/91/68/25/176916825.db2.gz SOKHFNRWBOSIMY-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)(C)C ZINC000269057764 386743832 /nfs/dbraw/zinc/74/38/32/386743832.db2.gz SOKHFNRWBOSIMY-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)(C)C ZINC000269057767 386744062 /nfs/dbraw/zinc/74/40/62/386744062.db2.gz SOKHFNRWBOSIMY-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)(C)C ZINC000269057769 386745501 /nfs/dbraw/zinc/74/55/01/386745501.db2.gz SOKHFNRWBOSIMY-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(F)(F)F)ccc1F ZINC000269063749 178224585 /nfs/dbraw/zinc/22/45/85/178224585.db2.gz KUUALVVYXICGKO-SECBINFHSA-N 1 0 249.251 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(F)(F)F)ccc1F ZINC000269063754 178247614 /nfs/dbraw/zinc/24/76/14/178247614.db2.gz KUUALVVYXICGKO-VIFPVBQESA-N 1 0 249.251 3.737 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000269064903 389007272 /nfs/dbraw/zinc/00/72/72/389007272.db2.gz VJPDYZMJNWFPSN-DZKIICNBSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000269064905 169510448 /nfs/dbraw/zinc/51/04/48/169510448.db2.gz VJPDYZMJNWFPSN-FMKPAKJESA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccccc1 ZINC000269064906 169510924 /nfs/dbraw/zinc/51/09/24/169510924.db2.gz VJPDYZMJNWFPSN-LZWOXQAQSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccccc1 ZINC000269064908 386708076 /nfs/dbraw/zinc/70/80/76/386708076.db2.gz VJPDYZMJNWFPSN-YCPHGPKFSA-N 1 0 249.398 3.524 20 0 BHADRO CC[N@H+](Cc1cnccc1C)C1CCCCC1 ZINC000269547831 351359005 /nfs/dbraw/zinc/35/90/05/351359005.db2.gz DBIUORNTGITFIU-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000269550763 385606170 /nfs/dbraw/zinc/60/61/70/385606170.db2.gz FGZPELJTVHBFIK-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000269550765 385606104 /nfs/dbraw/zinc/60/61/04/385606104.db2.gz FGZPELJTVHBFIK-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CCCC[NH+](CCCC)Cc1nccs1 ZINC000269643472 385618124 /nfs/dbraw/zinc/61/81/24/385618124.db2.gz KKPGMWVUNYZAKJ-UHFFFAOYSA-N 1 0 226.389 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000269713338 385628840 /nfs/dbraw/zinc/62/88/40/385628840.db2.gz RXGPYCJGKYTUKH-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000269713340 385629503 /nfs/dbraw/zinc/62/95/03/385629503.db2.gz RXGPYCJGKYTUKH-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(CO)c1 ZINC000270523549 385714736 /nfs/dbraw/zinc/71/47/36/385714736.db2.gz SHKKWJGSNCCNIK-CYBMUJFWSA-N 1 0 247.382 3.552 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1cccc(CO)c1 ZINC000270523551 385714636 /nfs/dbraw/zinc/71/46/36/385714636.db2.gz SHKKWJGSNCCNIK-ZDUSSCGKSA-N 1 0 247.382 3.552 20 0 BHADRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)C(C)(C)C ZINC000270609650 176910694 /nfs/dbraw/zinc/91/06/94/176910694.db2.gz HNYUDMQSICOABV-IPYPFGDCSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)C(C)(C)C ZINC000270609653 385723370 /nfs/dbraw/zinc/72/33/70/385723370.db2.gz HNYUDMQSICOABV-NFAWXSAZSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)C(C)(C)C ZINC000270609656 385723041 /nfs/dbraw/zinc/72/30/41/385723041.db2.gz HNYUDMQSICOABV-UMVBOHGHSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)C(C)(C)C ZINC000270609660 385722760 /nfs/dbraw/zinc/72/27/60/385722760.db2.gz HNYUDMQSICOABV-VNHYZAJKSA-N 1 0 249.398 3.523 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000270681872 411427828 /nfs/dbraw/zinc/42/78/28/411427828.db2.gz VCHLHDUVTUUXQW-AWEZNQCLSA-N 1 0 240.350 3.665 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000270681873 411428360 /nfs/dbraw/zinc/42/83/60/411428360.db2.gz VCHLHDUVTUUXQW-CQSZACIVSA-N 1 0 240.350 3.665 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1cccnc1 ZINC000270683336 170701838 /nfs/dbraw/zinc/70/18/38/170701838.db2.gz AHQWHNLECSVKEG-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cccnc1 ZINC000270683339 411428214 /nfs/dbraw/zinc/42/82/14/411428214.db2.gz AHQWHNLECSVKEG-OLZOCXBDSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1cccnc1 ZINC000270683342 171278268 /nfs/dbraw/zinc/27/82/68/171278268.db2.gz AHQWHNLECSVKEG-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1cccnc1 ZINC000270683343 171278205 /nfs/dbraw/zinc/27/82/05/171278205.db2.gz AHQWHNLECSVKEG-STQMWFEESA-N 1 0 220.360 3.511 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1sccc1C ZINC000271026722 385771551 /nfs/dbraw/zinc/77/15/51/385771551.db2.gz FIMUWLJMWIWSMZ-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000271027171 326227353 /nfs/dbraw/zinc/22/73/53/326227353.db2.gz WNHIMAVPXOJRSF-HIFRSBDPSA-N 1 0 230.355 3.508 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000271027174 326227624 /nfs/dbraw/zinc/22/76/24/326227624.db2.gz WNHIMAVPXOJRSF-UKRRQHHQSA-N 1 0 230.355 3.508 20 0 BHADRO C[N@H+](Cc1ccc2ncccc2c1)C1CCCC1 ZINC000271038484 385776743 /nfs/dbraw/zinc/77/67/43/385776743.db2.gz KYPDOJWRZFSEGN-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1ccoc1C[N@@H+](Cc1ccco1)C(C)C ZINC000271049968 385779736 /nfs/dbraw/zinc/77/97/36/385779736.db2.gz OKXDLTAJTXQIGT-UHFFFAOYSA-N 1 0 233.311 3.592 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cncs1 ZINC000271054559 179318185 /nfs/dbraw/zinc/31/81/85/179318185.db2.gz SJLMRGPAGCLOIF-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cncs1 ZINC000271054561 179333850 /nfs/dbraw/zinc/33/38/50/179333850.db2.gz SJLMRGPAGCLOIF-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO C[N@H+](Cc1cnc2ccccc2c1)C1CCCC1 ZINC000271055258 385778901 /nfs/dbraw/zinc/77/89/01/385778901.db2.gz ZFJUMYIWHVNSQG-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[N@H+](Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000271056149 385778691 /nfs/dbraw/zinc/77/86/91/385778691.db2.gz ZMZSEAWFMDEPIS-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CC(C)[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000271058485 385779202 /nfs/dbraw/zinc/77/92/02/385779202.db2.gz VMUCJIZPODXOSD-UHFFFAOYSA-N 1 0 235.352 3.752 20 0 BHADRO CC(C)[N@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000271067309 385781506 /nfs/dbraw/zinc/78/15/06/385781506.db2.gz JZVNEZDNVNWLEX-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO CC(C)[N@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000271079257 187336427 /nfs/dbraw/zinc/33/64/27/187336427.db2.gz UWZINXJELQZLLE-UHFFFAOYSA-N 1 0 228.339 3.541 20 0 BHADRO Cc1ccc(C)n1C1CC[NH+](C2CCCC2)CC1 ZINC000271145107 385793151 /nfs/dbraw/zinc/79/31/51/385793151.db2.gz HFZPGIVSEULYGG-UHFFFAOYSA-N 1 0 246.398 3.684 20 0 BHADRO c1cc2cccc(C[N@@H+]3CCC4(CCC4)C3)c2[nH]1 ZINC000271155125 183340371 /nfs/dbraw/zinc/34/03/71/183340371.db2.gz BAJAALHFBLAFBQ-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CCn1cccc1C[N@H+](C)Cc1ccc(C)s1 ZINC000271173466 172204160 /nfs/dbraw/zinc/20/41/60/172204160.db2.gz IHJGYWKXQZPFET-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000271296963 176028001 /nfs/dbraw/zinc/02/80/01/176028001.db2.gz DLXXAVVVYJAOKP-KBPBESRZSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000271296964 176027919 /nfs/dbraw/zinc/02/79/19/176027919.db2.gz DLXXAVVVYJAOKP-KGLIPLIRSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000271296966 177170180 /nfs/dbraw/zinc/17/01/80/177170180.db2.gz DLXXAVVVYJAOKP-UONOGXRCSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000271296968 177043598 /nfs/dbraw/zinc/04/35/98/177043598.db2.gz DLXXAVVVYJAOKP-ZIAGYGMSSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CCCCCC1 ZINC000271319764 179495306 /nfs/dbraw/zinc/49/53/06/179495306.db2.gz AROKPTNQLDVZSL-CYBMUJFWSA-N 1 0 232.371 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CCCCCC1 ZINC000271319766 385817042 /nfs/dbraw/zinc/81/70/42/385817042.db2.gz AROKPTNQLDVZSL-ZDUSSCGKSA-N 1 0 232.371 3.763 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cnccc2C)CCC1 ZINC000271343769 385819229 /nfs/dbraw/zinc/81/92/29/385819229.db2.gz CMAVSUSFXJQDQQ-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cnccc2C)CCC1 ZINC000271343772 385819446 /nfs/dbraw/zinc/81/94/46/385819446.db2.gz CMAVSUSFXJQDQQ-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000271369455 176030852 /nfs/dbraw/zinc/03/08/52/176030852.db2.gz RGSCMYFWSIZMDA-KBPBESRZSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000271369457 176029916 /nfs/dbraw/zinc/02/99/16/176029916.db2.gz RGSCMYFWSIZMDA-KGLIPLIRSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000271369460 177170315 /nfs/dbraw/zinc/17/03/15/177170315.db2.gz RGSCMYFWSIZMDA-UONOGXRCSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000271371004 177046077 /nfs/dbraw/zinc/04/60/77/177046077.db2.gz RGSCMYFWSIZMDA-ZIAGYGMSSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000271389483 397966434 /nfs/dbraw/zinc/96/64/34/397966434.db2.gz JOHIBCVXUMAVLJ-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000271389485 397966566 /nfs/dbraw/zinc/96/65/66/397966566.db2.gz JOHIBCVXUMAVLJ-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc2c(c1)COC2 ZINC000271441541 385829095 /nfs/dbraw/zinc/82/90/95/385829095.db2.gz GQFVCMMYEHUDHB-BFQNTYOBSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc2c(c1)COC2 ZINC000271441544 385829030 /nfs/dbraw/zinc/82/90/30/385829030.db2.gz GQFVCMMYEHUDHB-MKBNYLNASA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc2c(c1)COC2 ZINC000271441547 385829000 /nfs/dbraw/zinc/82/90/00/385829000.db2.gz GQFVCMMYEHUDHB-MQIPJXDCSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc2c(c1)COC2 ZINC000271441549 385828245 /nfs/dbraw/zinc/82/82/45/385828245.db2.gz GQFVCMMYEHUDHB-WQGACYEGSA-N 1 0 245.366 3.556 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C2CCC2)cc1F ZINC000271443419 192383281 /nfs/dbraw/zinc/38/32/81/192383281.db2.gz GZYWFUCYZFROPX-SECBINFHSA-N 1 0 239.359 3.751 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C2CCC2)cc1F ZINC000271443420 389019658 /nfs/dbraw/zinc/01/96/58/389019658.db2.gz GZYWFUCYZFROPX-VIFPVBQESA-N 1 0 239.359 3.751 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000271458426 171295539 /nfs/dbraw/zinc/29/55/39/171295539.db2.gz HHYAGHCRQGGWGI-QJPTWQEYSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000271458428 171298304 /nfs/dbraw/zinc/29/83/04/171298304.db2.gz HHYAGHCRQGGWGI-SDDRHHMPSA-N 1 0 249.402 3.569 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000271471395 385832525 /nfs/dbraw/zinc/83/25/25/385832525.db2.gz IZWOYBRJTAJSCR-DUVNUKRYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000271471398 385832443 /nfs/dbraw/zinc/83/24/43/385832443.db2.gz IZWOYBRJTAJSCR-NOLJZWGESA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000271482779 385831780 /nfs/dbraw/zinc/83/17/80/385831780.db2.gz DOKCVPIBZWFKQR-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000271482780 385832479 /nfs/dbraw/zinc/83/24/79/385832479.db2.gz DOKCVPIBZWFKQR-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000271482782 385832319 /nfs/dbraw/zinc/83/23/19/385832319.db2.gz DOKCVPIBZWFKQR-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000271482784 179498593 /nfs/dbraw/zinc/49/85/93/179498593.db2.gz DOKCVPIBZWFKQR-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000271484068 351420432 /nfs/dbraw/zinc/42/04/32/351420432.db2.gz IRMLPENHQATHSH-GUTXKFCHSA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000271484070 171001935 /nfs/dbraw/zinc/00/19/35/171001935.db2.gz IRMLPENHQATHSH-GZBFAFLISA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cnccc1C ZINC000271484072 351420065 /nfs/dbraw/zinc/42/00/65/351420065.db2.gz IRMLPENHQATHSH-NFAWXSAZSA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000271484073 171003198 /nfs/dbraw/zinc/00/31/98/171003198.db2.gz IRMLPENHQATHSH-UMVBOHGHSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000271485346 385832643 /nfs/dbraw/zinc/83/26/43/385832643.db2.gz OBMPSTGKLQFLAB-MRVWCRGKSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000271485347 385832057 /nfs/dbraw/zinc/83/20/57/385832057.db2.gz OBMPSTGKLQFLAB-UBHSHLNASA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000271490604 385831737 /nfs/dbraw/zinc/83/17/37/385831737.db2.gz OVMHKHQFQHVYGH-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000271490606 385831772 /nfs/dbraw/zinc/83/17/72/385831772.db2.gz OVMHKHQFQHVYGH-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000271490608 385832114 /nfs/dbraw/zinc/83/21/14/385832114.db2.gz OVMHKHQFQHVYGH-UONOGXRCSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000271490609 385831935 /nfs/dbraw/zinc/83/19/35/385831935.db2.gz OVMHKHQFQHVYGH-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnccc2C)o1 ZINC000271491302 385832465 /nfs/dbraw/zinc/83/24/65/385832465.db2.gz FKAPMNXXXQNPMV-CHWSQXEVSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnccc2C)o1 ZINC000271491303 385832308 /nfs/dbraw/zinc/83/23/08/385832308.db2.gz FKAPMNXXXQNPMV-OLZOCXBDSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000271491305 178848627 /nfs/dbraw/zinc/84/86/27/178848627.db2.gz FKAPMNXXXQNPMV-QWHCGFSZSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000271491306 385832937 /nfs/dbraw/zinc/83/29/37/385832937.db2.gz FKAPMNXXXQNPMV-STQMWFEESA-N 1 0 244.338 3.703 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCSCC2)c2ccccc21 ZINC000271496132 389021712 /nfs/dbraw/zinc/02/17/12/389021712.db2.gz QCRIDJDKHOHDSC-ABAIWWIYSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)c2ccccc21 ZINC000271497616 187236527 /nfs/dbraw/zinc/23/65/27/187236527.db2.gz QCRIDJDKHOHDSC-IAQYHMDHSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCSCC2)c2ccccc21 ZINC000271497619 177369186 /nfs/dbraw/zinc/36/91/86/177369186.db2.gz QCRIDJDKHOHDSC-NHYWBVRUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCSCC2)c2ccccc21 ZINC000271497621 177330794 /nfs/dbraw/zinc/33/07/94/177330794.db2.gz QCRIDJDKHOHDSC-XHDPSFHLSA-N 1 0 247.407 3.720 20 0 BHADRO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CCC1 ZINC000271497671 187848179 /nfs/dbraw/zinc/84/81/79/187848179.db2.gz QERJNYUWWPBINJ-AWEZNQCLSA-N 1 0 243.350 3.575 20 0 BHADRO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CCC1 ZINC000271497673 385833417 /nfs/dbraw/zinc/83/34/17/385833417.db2.gz QERJNYUWWPBINJ-CQSZACIVSA-N 1 0 243.350 3.575 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000271501132 385834272 /nfs/dbraw/zinc/83/42/72/385834272.db2.gz GREPPGULNYALAH-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000271501133 385834512 /nfs/dbraw/zinc/83/45/12/385834512.db2.gz GREPPGULNYALAH-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000271501136 385833426 /nfs/dbraw/zinc/83/34/26/385833426.db2.gz GREPPGULNYALAH-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000271501138 179497566 /nfs/dbraw/zinc/49/75/66/179497566.db2.gz GREPPGULNYALAH-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000271503935 179494812 /nfs/dbraw/zinc/49/48/12/179494812.db2.gz MJRKEZDBRURRLY-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000271503936 385834444 /nfs/dbraw/zinc/83/44/44/385834444.db2.gz MJRKEZDBRURRLY-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)c1cnccc1C ZINC000271508935 179282478 /nfs/dbraw/zinc/28/24/78/179282478.db2.gz OYCLHPKUBUTEFY-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)c1cnccc1C ZINC000271508936 179284379 /nfs/dbraw/zinc/28/43/79/179284379.db2.gz OYCLHPKUBUTEFY-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000271509758 385834563 /nfs/dbraw/zinc/83/45/63/385834563.db2.gz HXQPAUOWCHVFGI-GXTWGEPZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000271509761 385834064 /nfs/dbraw/zinc/83/40/64/385834064.db2.gz HXQPAUOWCHVFGI-JSGCOSHPSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000271509764 179497811 /nfs/dbraw/zinc/49/78/11/179497811.db2.gz HXQPAUOWCHVFGI-OCCSQVGLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000271509766 385834163 /nfs/dbraw/zinc/83/41/63/385834163.db2.gz HXQPAUOWCHVFGI-TZMCWYRMSA-N 1 0 232.371 3.619 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc2c(c1)COC2 ZINC000271510016 385833870 /nfs/dbraw/zinc/83/38/70/385833870.db2.gz OOTOILCMWGYCHJ-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc2c(c1)COC2 ZINC000271510018 385834572 /nfs/dbraw/zinc/83/45/72/385834572.db2.gz OOTOILCMWGYCHJ-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cnccc2C)cc1 ZINC000271540014 385836760 /nfs/dbraw/zinc/83/67/60/385836760.db2.gz SKLWAKFAIFVHNA-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cnccc2C)cc1 ZINC000271540015 385837251 /nfs/dbraw/zinc/83/72/51/385837251.db2.gz SKLWAKFAIFVHNA-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000271540336 385835872 /nfs/dbraw/zinc/83/58/72/385835872.db2.gz YLLLZAUHUFHKHB-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000271540338 179498651 /nfs/dbraw/zinc/49/86/51/179498651.db2.gz YLLLZAUHUFHKHB-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cnccc2C)s1 ZINC000271552983 385837339 /nfs/dbraw/zinc/83/73/39/385837339.db2.gz USYHFRJHSUBRFY-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cnccc2C)s1 ZINC000271552986 385836194 /nfs/dbraw/zinc/83/61/94/385836194.db2.gz USYHFRJHSUBRFY-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271570366 188199401 /nfs/dbraw/zinc/19/94/01/188199401.db2.gz YPNOEYWKSAZMOB-GXTWGEPZSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271570367 385838201 /nfs/dbraw/zinc/83/82/01/385838201.db2.gz YPNOEYWKSAZMOB-JSGCOSHPSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271570368 188199146 /nfs/dbraw/zinc/19/91/46/188199146.db2.gz YPNOEYWKSAZMOB-OCCSQVGLSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271570369 188376598 /nfs/dbraw/zinc/37/65/98/188376598.db2.gz YPNOEYWKSAZMOB-TZMCWYRMSA-N 1 0 247.386 3.512 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000271574260 179495932 /nfs/dbraw/zinc/49/59/32/179495932.db2.gz XMRUUSVOWVEJIM-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000271574263 179498650 /nfs/dbraw/zinc/49/86/50/179498650.db2.gz XMRUUSVOWVEJIM-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000271584585 179097563 /nfs/dbraw/zinc/09/75/63/179097563.db2.gz YYEYLAGDFSPUQA-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cnccc2C)c1 ZINC000271584587 179099693 /nfs/dbraw/zinc/09/96/93/179099693.db2.gz YYEYLAGDFSPUQA-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1cnccc1C ZINC000271589787 411431903 /nfs/dbraw/zinc/43/19/03/411431903.db2.gz ZQCFMRQORKRDSF-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1cnccc1C ZINC000271589788 411431765 /nfs/dbraw/zinc/43/17/65/411431765.db2.gz ZQCFMRQORKRDSF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000271641039 385844571 /nfs/dbraw/zinc/84/45/71/385844571.db2.gz ZUIDBXCXLKJPEE-IPYPFGDCSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000271641043 385842848 /nfs/dbraw/zinc/84/28/48/385842848.db2.gz ZUIDBXCXLKJPEE-KCQAQPDRSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000271641046 385844623 /nfs/dbraw/zinc/84/46/23/385844623.db2.gz ZUIDBXCXLKJPEE-VNHYZAJKSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000271641049 385844350 /nfs/dbraw/zinc/84/43/50/385844350.db2.gz ZUIDBXCXLKJPEE-YDHLFZDLSA-N 1 0 232.371 3.619 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccc(SC(F)F)cc1 ZINC000271675695 389023500 /nfs/dbraw/zinc/02/35/00/389023500.db2.gz AMJXBRFZEDDGTB-MRVPVSSYSA-N 1 0 249.301 3.621 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccc(SC(F)F)cc1 ZINC000271675697 389022647 /nfs/dbraw/zinc/02/26/47/389022647.db2.gz AMJXBRFZEDDGTB-QMMMGPOBSA-N 1 0 249.301 3.621 20 0 BHADRO Cc1cc([C@@H]([NH2+]CCCF)C2CC2)ccc1F ZINC000271679789 178237889 /nfs/dbraw/zinc/23/78/89/178237889.db2.gz JIODBWLLAGQWBL-AWEZNQCLSA-N 1 0 239.309 3.534 20 0 BHADRO Cc1cc([C@H]([NH2+]CCCF)C2CC2)ccc1F ZINC000271679792 178262540 /nfs/dbraw/zinc/26/25/40/178262540.db2.gz JIODBWLLAGQWBL-CQSZACIVSA-N 1 0 239.309 3.534 20 0 BHADRO COC1(C)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000271694524 385845339 /nfs/dbraw/zinc/84/53/39/385845339.db2.gz FWWQYBHCSMYTSQ-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO COC1(C)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000271694526 385845396 /nfs/dbraw/zinc/84/53/96/385845396.db2.gz FWWQYBHCSMYTSQ-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CCC(C)(OC)CC1 ZINC000271704096 170953890 /nfs/dbraw/zinc/95/38/90/170953890.db2.gz HWKRXWOYCHUHDP-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CCC(C)(OC)CC1 ZINC000271704099 385845598 /nfs/dbraw/zinc/84/55/98/385845598.db2.gz HWKRXWOYCHUHDP-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1 ZINC000271711382 175878387 /nfs/dbraw/zinc/87/83/87/175878387.db2.gz PLUNKNKGFUAFPZ-SSDOTTSWSA-N 1 0 236.117 3.614 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1 ZINC000271711384 176846337 /nfs/dbraw/zinc/84/63/37/176846337.db2.gz PLUNKNKGFUAFPZ-ZETCQYMHSA-N 1 0 236.117 3.614 20 0 BHADRO FCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000271713787 389024439 /nfs/dbraw/zinc/02/44/39/389024439.db2.gz WGCFNLNGUOVBQM-GFCCVEGCSA-N 1 0 227.348 3.539 20 0 BHADRO FCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000271713790 389022823 /nfs/dbraw/zinc/02/28/23/389022823.db2.gz WGCFNLNGUOVBQM-LBPRGKRZSA-N 1 0 227.348 3.539 20 0 BHADRO CC(C)([NH2+]CCC(F)(F)F)c1cccc(F)c1 ZINC000271745166 187336057 /nfs/dbraw/zinc/33/60/57/187336057.db2.gz DKESEXFHIASOII-UHFFFAOYSA-N 1 0 249.251 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCCCCO)c1C ZINC000271798989 179195345 /nfs/dbraw/zinc/19/53/45/179195345.db2.gz OSZOKTLILUXWMB-HNNXBMFYSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCCCCO)c1C ZINC000271798992 385851135 /nfs/dbraw/zinc/85/11/35/385851135.db2.gz OSZOKTLILUXWMB-OAHLLOKOSA-N 1 0 249.398 3.507 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCC(F)(F)F)c1 ZINC000271807051 179026674 /nfs/dbraw/zinc/02/66/74/179026674.db2.gz QGWBNSCWXFGQRJ-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO COC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000271817561 385853049 /nfs/dbraw/zinc/85/30/49/385853049.db2.gz ZKKQKYMTZMVQLZ-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO COC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000271817565 385852828 /nfs/dbraw/zinc/85/28/28/385852828.db2.gz ZKKQKYMTZMVQLZ-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271821579 385852761 /nfs/dbraw/zinc/85/27/61/385852761.db2.gz SGFOZQSWLDIDBN-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000271821583 385852648 /nfs/dbraw/zinc/85/26/48/385852648.db2.gz SGFOZQSWLDIDBN-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC000271874301 167336907 /nfs/dbraw/zinc/33/69/07/167336907.db2.gz XIFYUUMUXADKHN-LLVKDONJSA-N 1 0 241.375 3.807 20 0 BHADRO CC(C)Sc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC000271874302 167337240 /nfs/dbraw/zinc/33/72/40/167337240.db2.gz XIFYUUMUXADKHN-NSHDSACASA-N 1 0 241.375 3.807 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCc4ccccc43)CC2)cc1 ZINC000271964222 183389706 /nfs/dbraw/zinc/38/97/06/183389706.db2.gz GRUOCEAOCAHSHH-KRWDZBQOSA-N 1 0 249.357 3.953 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCc4ccccc43)CC2)cc1 ZINC000271964225 183389665 /nfs/dbraw/zinc/38/96/65/183389665.db2.gz GRUOCEAOCAHSHH-QGZVFWFLSA-N 1 0 249.357 3.953 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000271974820 177917996 /nfs/dbraw/zinc/91/79/96/177917996.db2.gz NUZROBOHXPVHDF-IJEWVQPXSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000271974822 385864671 /nfs/dbraw/zinc/86/46/71/385864671.db2.gz NUZROBOHXPVHDF-YCPHGPKFSA-N 1 0 247.382 3.522 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccco1 ZINC000271987672 385865853 /nfs/dbraw/zinc/86/58/53/385865853.db2.gz LEUUHPCOTLWVNQ-GFCCVEGCSA-N 1 0 227.307 3.620 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccco1 ZINC000271987673 385865890 /nfs/dbraw/zinc/86/58/90/385865890.db2.gz LEUUHPCOTLWVNQ-LBPRGKRZSA-N 1 0 227.307 3.620 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(c3ccccc3)CC2)o1 ZINC000272036044 385869550 /nfs/dbraw/zinc/86/95/50/385869550.db2.gz VFMVXYYKBRFMDZ-CYBMUJFWSA-N 1 0 241.334 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(c3ccccc3)CC2)o1 ZINC000272036045 385870613 /nfs/dbraw/zinc/87/06/13/385870613.db2.gz VFMVXYYKBRFMDZ-ZDUSSCGKSA-N 1 0 241.334 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1C ZINC000272107190 385875180 /nfs/dbraw/zinc/87/51/80/385875180.db2.gz FZFUODPPAIJUQP-IJEWVQPXSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1C ZINC000272107194 385875823 /nfs/dbraw/zinc/87/58/23/385875823.db2.gz FZFUODPPAIJUQP-YCPHGPKFSA-N 1 0 247.382 3.522 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCCCO)c1ccccc1 ZINC000272209794 169403102 /nfs/dbraw/zinc/40/31/02/169403102.db2.gz AEZCQWYGJZJTOI-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccccc1 ZINC000272209795 389030027 /nfs/dbraw/zinc/03/00/27/389030027.db2.gz AEZCQWYGJZJTOI-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCCCO)c1ccccc1 ZINC000272209796 398148323 /nfs/dbraw/zinc/14/83/23/398148323.db2.gz AEZCQWYGJZJTOI-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCCCO)c1ccccc1 ZINC000272209797 398148108 /nfs/dbraw/zinc/14/81/08/398148108.db2.gz AEZCQWYGJZJTOI-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(C)cc1 ZINC000272214265 345967658 /nfs/dbraw/zinc/96/76/58/345967658.db2.gz AXIBDEGGJNLRRS-GDBMZVCRSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(C)cc1 ZINC000272214267 345968175 /nfs/dbraw/zinc/96/81/75/345968175.db2.gz AXIBDEGGJNLRRS-GOEBONIOSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(C)cc1 ZINC000272214269 384795487 /nfs/dbraw/zinc/79/54/87/384795487.db2.gz AXIBDEGGJNLRRS-HOCLYGCPSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(C)cc1 ZINC000272214270 384795953 /nfs/dbraw/zinc/79/59/53/384795953.db2.gz AXIBDEGGJNLRRS-ZBFHGGJFSA-N 1 0 249.398 3.587 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)CCCCO)c1ccccc1 ZINC000272250629 389029207 /nfs/dbraw/zinc/02/92/07/389029207.db2.gz IFZHGKPVMJTYBH-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)CCCCO)c1ccccc1 ZINC000272250630 389029612 /nfs/dbraw/zinc/02/96/12/389029612.db2.gz IFZHGKPVMJTYBH-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CCCCO)c1ccccc1 ZINC000272250631 188445601 /nfs/dbraw/zinc/44/56/01/188445601.db2.gz IFZHGKPVMJTYBH-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CCCCO)c1ccccc1 ZINC000272250632 389030039 /nfs/dbraw/zinc/03/00/39/389030039.db2.gz IFZHGKPVMJTYBH-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)c(C)c1 ZINC000272277539 178897676 /nfs/dbraw/zinc/89/76/76/178897676.db2.gz MHWOKDLQPIOWFI-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)c(C)c1 ZINC000272277540 178895390 /nfs/dbraw/zinc/89/53/90/178895390.db2.gz MHWOKDLQPIOWFI-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)c(C)c1 ZINC000272277542 389031506 /nfs/dbraw/zinc/03/15/06/389031506.db2.gz MHWOKDLQPIOWFI-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)c(C)c1 ZINC000272277543 389031569 /nfs/dbraw/zinc/03/15/69/389031569.db2.gz MHWOKDLQPIOWFI-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[N@H+](C)CC(C)(C)C ZINC000272305019 177054610 /nfs/dbraw/zinc/05/46/10/177054610.db2.gz OAJFOEOLMJWXMG-LLVKDONJSA-N 1 0 246.354 3.867 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)CCCCO)c1 ZINC000272379614 389031748 /nfs/dbraw/zinc/03/17/48/389031748.db2.gz HLTCAJCXRJHOFH-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CCCCO)c1 ZINC000272379616 177916786 /nfs/dbraw/zinc/91/67/86/177916786.db2.gz HLTCAJCXRJHOFH-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)CCCCO)c1 ZINC000272379618 389031484 /nfs/dbraw/zinc/03/14/84/389031484.db2.gz HLTCAJCXRJHOFH-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)CCCCO)c1 ZINC000272379621 177915120 /nfs/dbraw/zinc/91/51/20/177915120.db2.gz HLTCAJCXRJHOFH-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1nc2ccccc2o1 ZINC000272386852 169132754 /nfs/dbraw/zinc/13/27/54/169132754.db2.gz YZVUDRNKBCIGIJ-LLVKDONJSA-N 1 0 232.327 3.621 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1nc2ccccc2o1 ZINC000272386856 169131973 /nfs/dbraw/zinc/13/19/73/169131973.db2.gz YZVUDRNKBCIGIJ-NSHDSACASA-N 1 0 232.327 3.621 20 0 BHADRO CC1=CC[N@H+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000272404099 168118097 /nfs/dbraw/zinc/11/80/97/168118097.db2.gz AWVXZTYXBRRCFH-GFCCVEGCSA-N 1 0 242.322 3.541 20 0 BHADRO CC1=CC[N@H+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000272404103 168116552 /nfs/dbraw/zinc/11/65/52/168116552.db2.gz AWVXZTYXBRRCFH-LBPRGKRZSA-N 1 0 242.322 3.541 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCCCO)c1C ZINC000272465707 179181826 /nfs/dbraw/zinc/18/18/26/179181826.db2.gz RFOAZRDOVPSWFF-DZGCQCFKSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)CCCCO)c1C ZINC000272465712 179197951 /nfs/dbraw/zinc/19/79/51/179197951.db2.gz RFOAZRDOVPSWFF-HIFRSBDPSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)CCCCO)c1C ZINC000272465717 179182209 /nfs/dbraw/zinc/18/22/09/179182209.db2.gz RFOAZRDOVPSWFF-UKRRQHHQSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)CCCCO)c1C ZINC000272465720 179195884 /nfs/dbraw/zinc/19/58/84/179195884.db2.gz RFOAZRDOVPSWFF-ZFWWWQNUSA-N 1 0 249.398 3.505 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](CCOC)c1ccco1 ZINC000272500040 351481201 /nfs/dbraw/zinc/48/12/01/351481201.db2.gz DPJKYBLXSVJEQR-CHWSQXEVSA-N 1 0 239.359 3.526 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](CCOC)c1ccco1 ZINC000272500041 168949568 /nfs/dbraw/zinc/94/95/68/168949568.db2.gz DPJKYBLXSVJEQR-OLZOCXBDSA-N 1 0 239.359 3.526 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CCOC)c1ccco1 ZINC000272500043 351481496 /nfs/dbraw/zinc/48/14/96/351481496.db2.gz DPJKYBLXSVJEQR-QWHCGFSZSA-N 1 0 239.359 3.526 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CCOC)c1ccco1 ZINC000272500046 351481288 /nfs/dbraw/zinc/48/12/88/351481288.db2.gz DPJKYBLXSVJEQR-STQMWFEESA-N 1 0 239.359 3.526 20 0 BHADRO Fc1ccc(C2=CC[C@H]([NH2+]C3CC3)CC2)cc1 ZINC000272571737 180963273 /nfs/dbraw/zinc/96/32/73/180963273.db2.gz UAMXZJRCFCXFDK-AWEZNQCLSA-N 1 0 231.314 3.514 20 0 BHADRO Fc1ccc(C2=CC[C@@H]([NH2+]C3CC3)CC2)cc1 ZINC000272571739 180962464 /nfs/dbraw/zinc/96/24/64/180962464.db2.gz UAMXZJRCFCXFDK-CQSZACIVSA-N 1 0 231.314 3.514 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](CCOC)c1ccco1 ZINC000272585672 169380289 /nfs/dbraw/zinc/38/02/89/169380289.db2.gz REHOYIFHACUDNC-CHWSQXEVSA-N 1 0 239.359 3.526 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](CCOC)c1ccco1 ZINC000272585674 169380048 /nfs/dbraw/zinc/38/00/48/169380048.db2.gz REHOYIFHACUDNC-OLZOCXBDSA-N 1 0 239.359 3.526 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CCOC)c1ccco1 ZINC000272585678 385914884 /nfs/dbraw/zinc/91/48/84/385914884.db2.gz REHOYIFHACUDNC-QWHCGFSZSA-N 1 0 239.359 3.526 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CCOC)c1ccco1 ZINC000272585681 188026188 /nfs/dbraw/zinc/02/61/88/188026188.db2.gz REHOYIFHACUDNC-STQMWFEESA-N 1 0 239.359 3.526 20 0 BHADRO FC(F)Sc1ccc(C[NH2+]C2CCC2)cc1 ZINC000272821560 180908497 /nfs/dbraw/zinc/90/84/97/180908497.db2.gz WMVQOCJWHSYPFV-UHFFFAOYSA-N 1 0 243.322 3.643 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000272956312 385955144 /nfs/dbraw/zinc/95/51/44/385955144.db2.gz FGUISRXSIDGXHC-ILXRZTDVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000272956315 176367383 /nfs/dbraw/zinc/36/73/83/176367383.db2.gz FGUISRXSIDGXHC-KFWWJZLASA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000272956318 385955793 /nfs/dbraw/zinc/95/57/93/385955793.db2.gz FGUISRXSIDGXHC-QLFBSQMISA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000272956321 385954344 /nfs/dbraw/zinc/95/43/44/385954344.db2.gz FGUISRXSIDGXHC-RBSFLKMASA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]CCF)c1cc2ccccc2s1 ZINC000273233221 389039821 /nfs/dbraw/zinc/03/98/21/389039821.db2.gz ACGQYYPVHWVVCX-SECBINFHSA-N 1 0 223.316 3.521 20 0 BHADRO C[C@H]([NH2+]CCF)c1cc2ccccc2s1 ZINC000273233222 389039060 /nfs/dbraw/zinc/03/90/60/389039060.db2.gz ACGQYYPVHWVVCX-VIFPVBQESA-N 1 0 223.316 3.521 20 0 BHADRO C[C@@H]([NH2+]CCF)c1cc2cc(Cl)ccc2o1 ZINC000273280491 389039795 /nfs/dbraw/zinc/03/97/95/389039795.db2.gz IPGXADCFIZZHNU-MRVPVSSYSA-N 1 0 241.693 3.706 20 0 BHADRO C[C@H]([NH2+]CCF)c1cc2cc(Cl)ccc2o1 ZINC000273280493 389039868 /nfs/dbraw/zinc/03/98/68/389039868.db2.gz IPGXADCFIZZHNU-QMMMGPOBSA-N 1 0 241.693 3.706 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccncc1 ZINC000273382263 385995637 /nfs/dbraw/zinc/99/56/37/385995637.db2.gz REQFIBLTUXGVEP-KBPBESRZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccncc1 ZINC000273382264 385995668 /nfs/dbraw/zinc/99/56/68/385995668.db2.gz REQFIBLTUXGVEP-KGLIPLIRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccncc1 ZINC000273382265 170913071 /nfs/dbraw/zinc/91/30/71/170913071.db2.gz REQFIBLTUXGVEP-UONOGXRCSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccncc1 ZINC000273382266 351526133 /nfs/dbraw/zinc/52/61/33/351526133.db2.gz REQFIBLTUXGVEP-ZIAGYGMSSA-N 1 0 232.371 3.701 20 0 BHADRO FCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273858426 644521405 /nfs/dbraw/zinc/52/14/05/644521405.db2.gz NDULZGCNUTYJLH-AWEZNQCLSA-N 1 0 221.319 3.573 20 0 BHADRO FCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273858427 644521054 /nfs/dbraw/zinc/52/10/54/644521054.db2.gz NDULZGCNUTYJLH-CQSZACIVSA-N 1 0 221.319 3.573 20 0 BHADRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccccc1 ZINC000274231587 386085556 /nfs/dbraw/zinc/08/55/56/386085556.db2.gz SQBAQTDMVZORGH-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccccc1 ZINC000274231589 386084014 /nfs/dbraw/zinc/08/40/14/386084014.db2.gz SQBAQTDMVZORGH-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000274301343 386089188 /nfs/dbraw/zinc/08/91/88/386089188.db2.gz BXFARKGBIRLLTB-RDFMZFSFSA-N 1 0 218.344 3.508 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000274301344 386088699 /nfs/dbraw/zinc/08/86/99/386088699.db2.gz BXFARKGBIRLLTB-XGACYXMMSA-N 1 0 218.344 3.508 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000274318674 487661246 /nfs/dbraw/zinc/66/12/46/487661246.db2.gz HXVMDQJNUFWOQR-SNAWJCMRSA-N 1 0 244.338 3.616 20 0 BHADRO Cc1cc(N2CCC[C@@H]2c2cccs2)cc[nH+]1 ZINC000274353878 178114979 /nfs/dbraw/zinc/11/49/79/178114979.db2.gz LFWOEUBAEGMIKQ-CYBMUJFWSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1cc(N2CCC[C@H]2c2cccs2)cc[nH+]1 ZINC000274353880 178116709 /nfs/dbraw/zinc/11/67/09/178116709.db2.gz LFWOEUBAEGMIKQ-ZDUSSCGKSA-N 1 0 244.363 3.793 20 0 BHADRO c1cc2cccc(C[N@@H+]3CCCC4(CC4)C3)c2[nH]1 ZINC000274476261 183338958 /nfs/dbraw/zinc/33/89/58/183338958.db2.gz LJVVWFNTSTUXHW-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000274541706 386118787 /nfs/dbraw/zinc/11/87/87/386118787.db2.gz BWKPGBJRARLCKH-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000274541708 179686600 /nfs/dbraw/zinc/68/66/00/179686600.db2.gz BWKPGBJRARLCKH-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000274579320 179684244 /nfs/dbraw/zinc/68/42/44/179684244.db2.gz IRRQHGOFPDQSDD-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000274580782 386123090 /nfs/dbraw/zinc/12/30/90/386123090.db2.gz IRRQHGOFPDQSDD-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000274602536 175380628 /nfs/dbraw/zinc/38/06/28/175380628.db2.gz QMBOMYKOYZNPLE-DCAQKATOSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000274602541 175379809 /nfs/dbraw/zinc/37/98/09/175379809.db2.gz QMBOMYKOYZNPLE-GARJFASQSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000274602546 175380780 /nfs/dbraw/zinc/38/07/80/175380780.db2.gz QMBOMYKOYZNPLE-OUAUKWLOSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000274602551 175380578 /nfs/dbraw/zinc/38/05/78/175380578.db2.gz QMBOMYKOYZNPLE-VWYCJHECSA-N 1 0 239.384 3.596 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000274622073 170993575 /nfs/dbraw/zinc/99/35/75/170993575.db2.gz PRVMLTGRJPWIGP-GUTXKFCHSA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000274622076 171001112 /nfs/dbraw/zinc/00/11/12/171001112.db2.gz PRVMLTGRJPWIGP-GZBFAFLISA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000274622079 351574819 /nfs/dbraw/zinc/57/48/19/351574819.db2.gz PRVMLTGRJPWIGP-NFAWXSAZSA-N 1 0 232.371 3.619 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000274622081 171003714 /nfs/dbraw/zinc/00/37/14/171003714.db2.gz PRVMLTGRJPWIGP-UMVBOHGHSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000274652963 386134189 /nfs/dbraw/zinc/13/41/89/386134189.db2.gz VEVBVCNMUGDHJG-UXIGCNINSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000274652964 386136729 /nfs/dbraw/zinc/13/67/29/386136729.db2.gz VEVBVCNMUGDHJG-WHOFXGATSA-N 1 0 232.371 3.619 20 0 BHADRO COc1ccccc1[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000274741092 175345666 /nfs/dbraw/zinc/34/56/66/175345666.db2.gz KALIOBIIHKRHTJ-GFCCVEGCSA-N 1 0 242.322 3.572 20 0 BHADRO COc1ccccc1[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000274741096 175351607 /nfs/dbraw/zinc/35/16/07/175351607.db2.gz KALIOBIIHKRHTJ-LBPRGKRZSA-N 1 0 242.322 3.572 20 0 BHADRO Cc1cc(N2CCc3sccc3[C@H]2C)cc[nH+]1 ZINC000274785454 132204085 /nfs/dbraw/zinc/20/40/85/132204085.db2.gz WQTXRFZMVPDDPW-LLVKDONJSA-N 1 0 244.363 3.575 20 0 BHADRO Cc1cc(N2CCc3sccc3[C@@H]2C)cc[nH+]1 ZINC000274785457 132203988 /nfs/dbraw/zinc/20/39/88/132203988.db2.gz WQTXRFZMVPDDPW-NSHDSACASA-N 1 0 244.363 3.575 20 0 BHADRO COc1cccc([C@@H](C)Nc2cc[nH+]c(C)c2)c1 ZINC000274809052 175287515 /nfs/dbraw/zinc/28/75/15/175287515.db2.gz MNDNBILPTUKHKU-GFCCVEGCSA-N 1 0 242.322 3.572 20 0 BHADRO COc1cccc([C@H](C)Nc2cc[nH+]c(C)c2)c1 ZINC000274809053 175294037 /nfs/dbraw/zinc/29/40/37/175294037.db2.gz MNDNBILPTUKHKU-LBPRGKRZSA-N 1 0 242.322 3.572 20 0 BHADRO Cc1cc(N2CCC[C@H]2c2ccsc2)cc[nH+]1 ZINC000274854440 178116338 /nfs/dbraw/zinc/11/63/38/178116338.db2.gz YWDPBEXZNIBLLJ-AWEZNQCLSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1cc(N2CCC[C@@H]2c2ccsc2)cc[nH+]1 ZINC000274854442 178114192 /nfs/dbraw/zinc/11/41/92/178114192.db2.gz YWDPBEXZNIBLLJ-CQSZACIVSA-N 1 0 244.363 3.793 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(Cl)cn1 ZINC000274861194 384148264 /nfs/dbraw/zinc/14/82/64/384148264.db2.gz CVEGHDNGNPOFAO-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(Cl)cn1 ZINC000274861196 384148056 /nfs/dbraw/zinc/14/80/56/384148056.db2.gz CVEGHDNGNPOFAO-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274873668 389049330 /nfs/dbraw/zinc/04/93/30/389049330.db2.gz GGWDICMASPMWQN-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274910523 188093677 /nfs/dbraw/zinc/09/36/77/188093677.db2.gz NACPCPWQGLLOCC-GHMZBOCLSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274910524 385273190 /nfs/dbraw/zinc/27/31/90/385273190.db2.gz NACPCPWQGLLOCC-MNOVXSKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274910525 385274327 /nfs/dbraw/zinc/27/43/27/385274327.db2.gz NACPCPWQGLLOCC-QWRGUYRKSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274910526 188265903 /nfs/dbraw/zinc/26/59/03/188265903.db2.gz NACPCPWQGLLOCC-WDEREUQCSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccc(Cl)cn1 ZINC000274936411 383874496 /nfs/dbraw/zinc/87/44/96/383874496.db2.gz SAEWTRLJBPHPLA-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(Cl)cn1 ZINC000274936413 383872966 /nfs/dbraw/zinc/87/29/66/383872966.db2.gz SAEWTRLJBPHPLA-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274943122 168393000 /nfs/dbraw/zinc/39/30/00/168393000.db2.gz TZUPKPJQGQIIAW-SECBINFHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274943123 168391910 /nfs/dbraw/zinc/39/19/10/168391910.db2.gz TZUPKPJQGQIIAW-VIFPVBQESA-N 1 0 226.751 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274950397 176896847 /nfs/dbraw/zinc/89/68/47/176896847.db2.gz VCQXGWKVOTWXBO-JBLDHEPKSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274951760 176897963 /nfs/dbraw/zinc/89/79/63/176897963.db2.gz VCQXGWKVOTWXBO-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274951762 389052148 /nfs/dbraw/zinc/05/21/48/389052148.db2.gz VCQXGWKVOTWXBO-NHCYSSNCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274951763 389050992 /nfs/dbraw/zinc/05/09/92/389050992.db2.gz VCQXGWKVOTWXBO-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)cn1 ZINC000274953421 389052046 /nfs/dbraw/zinc/05/20/46/389052046.db2.gz VNSAPVUGWZYUGO-JTQLQIEISA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)cn1 ZINC000274953424 383899890 /nfs/dbraw/zinc/89/98/90/383899890.db2.gz VNSAPVUGWZYUGO-SNVBAGLBSA-N 1 0 238.762 3.718 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274968941 389052288 /nfs/dbraw/zinc/05/22/88/389052288.db2.gz XXRHVODEVLMOOW-JTQLQIEISA-N 1 0 226.751 3.576 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274968942 389052072 /nfs/dbraw/zinc/05/20/72/389052072.db2.gz XXRHVODEVLMOOW-SNVBAGLBSA-N 1 0 226.751 3.576 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274983178 171366598 /nfs/dbraw/zinc/36/65/98/171366598.db2.gz ZQDYDZOSWYOYTP-AXFHLTTASA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274983181 171390055 /nfs/dbraw/zinc/39/00/55/171390055.db2.gz ZQDYDZOSWYOYTP-DCAQKATOSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274983184 171390702 /nfs/dbraw/zinc/39/07/02/171390702.db2.gz ZQDYDZOSWYOYTP-GARJFASQSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274983187 171367025 /nfs/dbraw/zinc/36/70/25/171367025.db2.gz ZQDYDZOSWYOYTP-HBNTYKKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000275095212 386180823 /nfs/dbraw/zinc/18/08/23/386180823.db2.gz DFJUEDLMTSFZTH-CYBMUJFWSA-N 1 0 220.360 3.511 20 0 BHADRO CC(C)CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000275095214 386180353 /nfs/dbraw/zinc/18/03/53/386180353.db2.gz DFJUEDLMTSFZTH-ZDUSSCGKSA-N 1 0 220.360 3.511 20 0 BHADRO CC(C)CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000275154590 386184321 /nfs/dbraw/zinc/18/43/21/386184321.db2.gz QBKMFCDCGPRVLO-CYBMUJFWSA-N 1 0 220.360 3.511 20 0 BHADRO CC(C)CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000275154591 386185450 /nfs/dbraw/zinc/18/54/50/386185450.db2.gz QBKMFCDCGPRVLO-ZDUSSCGKSA-N 1 0 220.360 3.511 20 0 BHADRO Cc1csc(C2([NH2+][C@@H]3C=CCCC3)CCC2)n1 ZINC000275166414 386187147 /nfs/dbraw/zinc/18/71/47/386187147.db2.gz KBZNRWCEPOBPNC-GFCCVEGCSA-N 1 0 248.395 3.529 20 0 BHADRO Cc1csc(C2([NH2+][C@H]3C=CCCC3)CCC2)n1 ZINC000275166416 386188421 /nfs/dbraw/zinc/18/84/21/386188421.db2.gz KBZNRWCEPOBPNC-LBPRGKRZSA-N 1 0 248.395 3.529 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccs1 ZINC000275345264 351597912 /nfs/dbraw/zinc/59/79/12/351597912.db2.gz YNNAHPVTCVZQBH-AWEZNQCLSA-N 1 0 246.379 3.726 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccs1 ZINC000275345266 386202740 /nfs/dbraw/zinc/20/27/40/386202740.db2.gz YNNAHPVTCVZQBH-CQSZACIVSA-N 1 0 246.379 3.726 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)Cc2ccccn2)c1 ZINC000275515580 179178743 /nfs/dbraw/zinc/17/87/43/179178743.db2.gz DHMVSOAXEKEGKH-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)C)c1ccncc1 ZINC000275677200 388344901 /nfs/dbraw/zinc/34/49/01/388344901.db2.gz GPJWGSZYHZCTOY-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)C)c1ccncc1 ZINC000275677203 388345141 /nfs/dbraw/zinc/34/51/41/388345141.db2.gz GPJWGSZYHZCTOY-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO CC(C)CCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000275832120 386244679 /nfs/dbraw/zinc/24/46/79/386244679.db2.gz SSUYWTINDSDUKG-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)CCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000275832122 386243472 /nfs/dbraw/zinc/24/34/72/386243472.db2.gz SSUYWTINDSDUKG-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(F)cn1 ZINC000276346139 386308802 /nfs/dbraw/zinc/30/88/02/386308802.db2.gz JFZAKMJUONMGKN-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc2cccnc21 ZINC000276606351 188447668 /nfs/dbraw/zinc/44/76/68/188447668.db2.gz HNMIIOYINDIXEG-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000276647949 188093699 /nfs/dbraw/zinc/09/36/99/188093699.db2.gz SLOAAVIKXHGIMA-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000276745413 188266886 /nfs/dbraw/zinc/26/68/86/188266886.db2.gz HAFVMCYSSPTBSF-LLVKDONJSA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000276745416 388351344 /nfs/dbraw/zinc/35/13/44/388351344.db2.gz HAFVMCYSSPTBSF-NSHDSACASA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000276747149 388350416 /nfs/dbraw/zinc/35/04/16/388350416.db2.gz HGSVIKPBNRBSHU-LLVKDONJSA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000276747155 187239279 /nfs/dbraw/zinc/23/92/79/187239279.db2.gz HGSVIKPBNRBSHU-NSHDSACASA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccsc1 ZINC000276753629 388350656 /nfs/dbraw/zinc/35/06/56/388350656.db2.gz IBEDZJLDDWYIRO-LLVKDONJSA-N 1 0 209.358 3.755 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccsc1 ZINC000276753633 188266328 /nfs/dbraw/zinc/26/63/28/188266328.db2.gz IBEDZJLDDWYIRO-NSHDSACASA-N 1 0 209.358 3.755 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000276765033 188029522 /nfs/dbraw/zinc/02/95/22/188029522.db2.gz JJYYRQMIDHNJED-CYBMUJFWSA-N 1 0 249.402 3.779 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000276765049 386372240 /nfs/dbraw/zinc/37/22/40/386372240.db2.gz JJYYRQMIDHNJED-ZDUSSCGKSA-N 1 0 249.402 3.779 20 0 BHADRO c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)c[nH]1 ZINC000276870568 183351486 /nfs/dbraw/zinc/35/14/86/183351486.db2.gz CMGIQVAVSFFUGT-UHFFFAOYSA-N 1 0 240.350 3.572 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000276871917 188029505 /nfs/dbraw/zinc/02/95/05/188029505.db2.gz KFOZZCDAQZGFLE-JTQLQIEISA-N 1 0 238.400 3.767 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000276871921 187339760 /nfs/dbraw/zinc/33/97/60/187339760.db2.gz KFOZZCDAQZGFLE-SNVBAGLBSA-N 1 0 238.400 3.767 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000276873594 188202924 /nfs/dbraw/zinc/20/29/24/188202924.db2.gz KHUPKIFHFJRTKD-CYBMUJFWSA-N 1 0 245.366 3.724 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000276873597 188203189 /nfs/dbraw/zinc/20/31/89/188203189.db2.gz KHUPKIFHFJRTKD-ZDUSSCGKSA-N 1 0 245.366 3.724 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873622 386386456 /nfs/dbraw/zinc/38/64/56/386386456.db2.gz FHDWQQCXWAEJBW-GWCFXTLKSA-N 1 0 249.383 3.663 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873625 386385727 /nfs/dbraw/zinc/38/57/27/386385727.db2.gz FHDWQQCXWAEJBW-GXFFZTMASA-N 1 0 249.383 3.663 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873627 386386258 /nfs/dbraw/zinc/38/62/58/386386258.db2.gz FHDWQQCXWAEJBW-MFKMUULPSA-N 1 0 249.383 3.663 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873629 386387096 /nfs/dbraw/zinc/38/70/96/386387096.db2.gz FHDWQQCXWAEJBW-ZWNOBZJWSA-N 1 0 249.383 3.663 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CCc1ccco1 ZINC000276878402 384545725 /nfs/dbraw/zinc/54/57/25/384545725.db2.gz KUNIHZYYAIAXOM-CYBMUJFWSA-N 1 0 221.344 3.547 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000276878403 384550434 /nfs/dbraw/zinc/55/04/34/384550434.db2.gz KUNIHZYYAIAXOM-ZDUSSCGKSA-N 1 0 221.344 3.547 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000276908976 643018497 /nfs/dbraw/zinc/01/84/97/643018497.db2.gz PXEUIZRDMXYUPQ-INIZCTEOSA-N 1 0 245.366 3.583 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000276908978 643019016 /nfs/dbraw/zinc/01/90/16/643019016.db2.gz PXEUIZRDMXYUPQ-MRXNPFEDSA-N 1 0 245.366 3.583 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000276922970 388351781 /nfs/dbraw/zinc/35/17/81/388351781.db2.gz RCVUPGJNZYINAA-LLVKDONJSA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000276922980 388351735 /nfs/dbraw/zinc/35/17/35/388351735.db2.gz RCVUPGJNZYINAA-NSHDSACASA-N 1 0 238.762 3.742 20 0 BHADRO CCC[C@H]([NH2+]CCC=C(C)C)c1cccnc1 ZINC000276948696 386394494 /nfs/dbraw/zinc/39/44/94/386394494.db2.gz VDGUGGSNZAXOEA-HNNXBMFYSA-N 1 0 232.371 3.869 20 0 BHADRO CCC[C@@H]([NH2+]CCC=C(C)C)c1cccnc1 ZINC000276948698 169399670 /nfs/dbraw/zinc/39/96/70/169399670.db2.gz VDGUGGSNZAXOEA-OAHLLOKOSA-N 1 0 232.371 3.869 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000276951796 386395188 /nfs/dbraw/zinc/39/51/88/386395188.db2.gz QUGWOUWJEDVUJU-UTUOFQBUSA-N 1 0 247.338 3.507 20 0 BHADRO CCC(=O)CC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000276953371 168200874 /nfs/dbraw/zinc/20/08/74/168200874.db2.gz WDCWCONFFSZMMW-CYBMUJFWSA-N 1 0 245.366 3.581 20 0 BHADRO CCC(=O)CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000276953374 168201177 /nfs/dbraw/zinc/20/11/77/168201177.db2.gz WDCWCONFFSZMMW-ZDUSSCGKSA-N 1 0 245.366 3.581 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cccs1 ZINC000276968541 188094119 /nfs/dbraw/zinc/09/41/19/188094119.db2.gz XLKGKSKOKPJLJD-LLVKDONJSA-N 1 0 209.358 3.755 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cccs1 ZINC000276968551 188094275 /nfs/dbraw/zinc/09/42/75/188094275.db2.gz XLKGKSKOKPJLJD-NSHDSACASA-N 1 0 209.358 3.755 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC1)c1ccsc1 ZINC000276969793 169399509 /nfs/dbraw/zinc/39/95/09/169399509.db2.gz UBJROHYGRZULRU-GFCCVEGCSA-N 1 0 209.358 3.731 20 0 BHADRO CCC[C@H]([NH2+]C1CCC1)c1ccsc1 ZINC000276969795 169510244 /nfs/dbraw/zinc/51/02/44/169510244.db2.gz UBJROHYGRZULRU-LBPRGKRZSA-N 1 0 209.358 3.731 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccn(C)c1)c1ccsc1 ZINC000276978273 386396154 /nfs/dbraw/zinc/39/61/54/386396154.db2.gz VLKPKFHIFIRUAH-AWEZNQCLSA-N 1 0 248.395 3.718 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccsc1 ZINC000276978275 386396932 /nfs/dbraw/zinc/39/69/32/386396932.db2.gz VLKPKFHIFIRUAH-CQSZACIVSA-N 1 0 248.395 3.718 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)OC)c1ccsc1 ZINC000276990270 398171866 /nfs/dbraw/zinc/17/18/66/398171866.db2.gz XHKXOJICCIPJTE-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccsc1 ZINC000276990271 398172387 /nfs/dbraw/zinc/17/23/87/398172387.db2.gz XHKXOJICCIPJTE-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)OC)c1ccsc1 ZINC000276990273 398172427 /nfs/dbraw/zinc/17/24/27/398172427.db2.gz XHKXOJICCIPJTE-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)OC)c1ccsc1 ZINC000276990274 398172649 /nfs/dbraw/zinc/17/26/49/398172649.db2.gz XHKXOJICCIPJTE-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)co1 ZINC000276992662 183351287 /nfs/dbraw/zinc/35/12/87/183351287.db2.gz UXNXIMIQENYLHH-UHFFFAOYSA-N 1 0 241.334 3.837 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccsc1 ZINC000277000206 398172640 /nfs/dbraw/zinc/17/26/40/398172640.db2.gz ZAGZCJIMPWEDDK-NEPJUHHUSA-N 1 0 241.425 3.684 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCSC1)c1ccsc1 ZINC000277000208 398172671 /nfs/dbraw/zinc/17/26/71/398172671.db2.gz ZAGZCJIMPWEDDK-NWDGAFQWSA-N 1 0 241.425 3.684 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCSC1)c1ccsc1 ZINC000277000209 398172336 /nfs/dbraw/zinc/17/23/36/398172336.db2.gz ZAGZCJIMPWEDDK-RYUDHWBXSA-N 1 0 241.425 3.684 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccsc1 ZINC000277000211 169402995 /nfs/dbraw/zinc/40/29/95/169402995.db2.gz ZAGZCJIMPWEDDK-VXGBXAGGSA-N 1 0 241.425 3.684 20 0 BHADRO c1coc(C[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000277002467 323151465 /nfs/dbraw/zinc/15/14/65/323151465.db2.gz WLUXAYXYCIOEAB-UHFFFAOYSA-N 1 0 241.334 3.837 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)s1 ZINC000277006306 398173048 /nfs/dbraw/zinc/17/30/48/398173048.db2.gz BFAKUMKRYJBRQC-MRVPVSSYSA-N 1 0 231.311 3.505 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)s1 ZINC000277006307 388352006 /nfs/dbraw/zinc/35/20/06/388352006.db2.gz BFAKUMKRYJBRQC-QMMMGPOBSA-N 1 0 231.311 3.505 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(Cl)c1 ZINC000277036506 175856793 /nfs/dbraw/zinc/85/67/93/175856793.db2.gz FTIXCBONUCTJFQ-MRVPVSSYSA-N 1 0 245.700 3.788 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cccc(Cl)c1 ZINC000277036508 388352804 /nfs/dbraw/zinc/35/28/04/388352804.db2.gz FTIXCBONUCTJFQ-QMMMGPOBSA-N 1 0 245.700 3.788 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccsc1 ZINC000277036565 169399785 /nfs/dbraw/zinc/39/97/85/169399785.db2.gz FUIOBGBZKWPHOC-LLVKDONJSA-N 1 0 245.338 3.977 20 0 BHADRO CCC[C@H]([NH2+]C1CC(F)(F)C1)c1ccsc1 ZINC000277036566 388352458 /nfs/dbraw/zinc/35/24/58/388352458.db2.gz FUIOBGBZKWPHOC-NSHDSACASA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277038734 384657963 /nfs/dbraw/zinc/65/79/63/384657963.db2.gz FZNSFNYWMDVNHF-GFCCVEGCSA-N 1 0 225.282 3.525 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277038736 384659087 /nfs/dbraw/zinc/65/90/87/384659087.db2.gz FZNSFNYWMDVNHF-LBPRGKRZSA-N 1 0 225.282 3.525 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000277052737 388352294 /nfs/dbraw/zinc/35/22/94/388352294.db2.gz HFLQSFAUWYYUIF-MRVPVSSYSA-N 1 0 231.311 3.505 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000277052741 179554485 /nfs/dbraw/zinc/55/44/85/179554485.db2.gz HFLQSFAUWYYUIF-QMMMGPOBSA-N 1 0 231.311 3.505 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(F)(F)C2)c(C)s1 ZINC000277059116 178221949 /nfs/dbraw/zinc/22/19/49/178221949.db2.gz HWPWXEQUOSTXDQ-MRVPVSSYSA-N 1 0 245.338 3.813 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(F)(F)C2)c(C)s1 ZINC000277059118 178245290 /nfs/dbraw/zinc/24/52/90/178245290.db2.gz HWPWXEQUOSTXDQ-QMMMGPOBSA-N 1 0 245.338 3.813 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(F)c1 ZINC000277059177 411443653 /nfs/dbraw/zinc/44/36/53/411443653.db2.gz HXMDAYODNYLWBE-GFCCVEGCSA-N 1 0 243.272 3.664 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cccc(F)c1 ZINC000277059180 411443289 /nfs/dbraw/zinc/44/32/89/411443289.db2.gz HXMDAYODNYLWBE-LBPRGKRZSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1Cl ZINC000277076746 384673089 /nfs/dbraw/zinc/67/30/89/384673089.db2.gz JJSVYPQKTWMFKD-MRVPVSSYSA-N 1 0 245.700 3.788 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1Cl ZINC000277076748 176826480 /nfs/dbraw/zinc/82/64/80/176826480.db2.gz JJSVYPQKTWMFKD-QMMMGPOBSA-N 1 0 245.700 3.788 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc1C ZINC000277081187 386405547 /nfs/dbraw/zinc/40/55/47/386405547.db2.gz JQGIRPZWRYNLOA-LLVKDONJSA-N 1 0 239.309 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)cc1C ZINC000277081190 386405789 /nfs/dbraw/zinc/40/57/89/386405789.db2.gz JQGIRPZWRYNLOA-NSHDSACASA-N 1 0 239.309 3.752 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(C)cc1 ZINC000277083380 386405210 /nfs/dbraw/zinc/40/52/10/386405210.db2.gz JXQYEANKLDCQPR-CYBMUJFWSA-N 1 0 239.309 3.833 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(C)cc1 ZINC000277083384 386406303 /nfs/dbraw/zinc/40/63/03/386406303.db2.gz JXQYEANKLDCQPR-ZDUSSCGKSA-N 1 0 239.309 3.833 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000277099650 388352445 /nfs/dbraw/zinc/35/24/45/388352445.db2.gz LIQGXXWOBRDDKP-MRVPVSSYSA-N 1 0 245.700 3.788 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000277099651 176826746 /nfs/dbraw/zinc/82/67/46/176826746.db2.gz LIQGXXWOBRDDKP-QMMMGPOBSA-N 1 0 245.700 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CC(F)(F)C2)c1C ZINC000277114358 179180825 /nfs/dbraw/zinc/18/08/25/179180825.db2.gz MWZMFJXORBIMIZ-LLVKDONJSA-N 1 0 239.309 3.752 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CC(F)(F)C2)c1C ZINC000277114366 179194150 /nfs/dbraw/zinc/19/41/50/179194150.db2.gz MWZMFJXORBIMIZ-NSHDSACASA-N 1 0 239.309 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)c(C)c1 ZINC000277123634 386409962 /nfs/dbraw/zinc/40/99/62/386409962.db2.gz NSKQSNNJNYMRBV-LLVKDONJSA-N 1 0 239.309 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)c(C)c1 ZINC000277123637 386410503 /nfs/dbraw/zinc/41/05/03/386410503.db2.gz NSKQSNNJNYMRBV-NSHDSACASA-N 1 0 239.309 3.752 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277158482 386414238 /nfs/dbraw/zinc/41/42/38/386414238.db2.gz QUXVEOJDCWVHIR-CYBMUJFWSA-N 1 0 239.309 3.915 20 0 BHADRO CCC[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277158486 386412810 /nfs/dbraw/zinc/41/28/10/386412810.db2.gz QUXVEOJDCWVHIR-ZDUSSCGKSA-N 1 0 239.309 3.915 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277172322 167430806 /nfs/dbraw/zinc/43/08/06/167430806.db2.gz SCHIYAFOTZYUGD-CYBMUJFWSA-N 1 0 239.309 3.771 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000277172325 187339601 /nfs/dbraw/zinc/33/96/01/187339601.db2.gz SCHIYAFOTZYUGD-ZDUSSCGKSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1F ZINC000277172335 386413838 /nfs/dbraw/zinc/41/38/38/386413838.db2.gz SCLGKZMHUAMRKB-GFCCVEGCSA-N 1 0 243.272 3.664 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1F ZINC000277172339 386413422 /nfs/dbraw/zinc/41/34/22/386413422.db2.gz SCLGKZMHUAMRKB-LBPRGKRZSA-N 1 0 243.272 3.664 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277204100 386417372 /nfs/dbraw/zinc/41/73/72/386417372.db2.gz VXWFNQADWZXNKF-LLVKDONJSA-N 1 0 239.309 3.752 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277204105 386420082 /nfs/dbraw/zinc/42/00/82/386420082.db2.gz VXWFNQADWZXNKF-NSHDSACASA-N 1 0 239.309 3.752 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277207962 386419420 /nfs/dbraw/zinc/41/94/20/386419420.db2.gz WHDXQTJKADXPLW-JTQLQIEISA-N 1 0 239.309 3.697 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277207966 386417814 /nfs/dbraw/zinc/41/78/14/386417814.db2.gz WHDXQTJKADXPLW-SNVBAGLBSA-N 1 0 239.309 3.697 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H](C)c1ccccc1 ZINC000277209972 176022741 /nfs/dbraw/zinc/02/27/41/176022741.db2.gz WNKHIOLPTKVKTP-GHMZBOCLSA-N 1 0 239.309 3.566 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)[C@@H](C)c1ccccc1 ZINC000277209974 386419462 /nfs/dbraw/zinc/41/94/62/386419462.db2.gz WNKHIOLPTKVKTP-MNOVXSKESA-N 1 0 239.309 3.566 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000277209976 176826318 /nfs/dbraw/zinc/82/63/18/176826318.db2.gz WNKHIOLPTKVKTP-QWRGUYRKSA-N 1 0 239.309 3.566 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@H](C)c1ccccc1 ZINC000277209977 386419430 /nfs/dbraw/zinc/41/94/30/386419430.db2.gz WNKHIOLPTKVKTP-WDEREUQCSA-N 1 0 239.309 3.566 20 0 BHADRO FC1(F)CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000277221209 384757807 /nfs/dbraw/zinc/75/78/07/384757807.db2.gz XQMUDVWMBIITBI-JTQLQIEISA-N 1 0 243.322 3.513 20 0 BHADRO FC1(F)CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000277221213 384757235 /nfs/dbraw/zinc/75/72/35/384757235.db2.gz XQMUDVWMBIITBI-SNVBAGLBSA-N 1 0 243.322 3.513 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)s1 ZINC000277223194 388353597 /nfs/dbraw/zinc/35/35/97/388353597.db2.gz XXHQZIADDKYROM-MRVPVSSYSA-N 1 0 245.338 3.759 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)s1 ZINC000277223197 388353302 /nfs/dbraw/zinc/35/33/02/388353302.db2.gz XXHQZIADDKYROM-QMMMGPOBSA-N 1 0 245.338 3.759 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277232472 386419759 /nfs/dbraw/zinc/41/97/59/386419759.db2.gz YWPQLTVEGPWRTB-GFCCVEGCSA-N 1 0 243.272 3.664 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277232476 386418343 /nfs/dbraw/zinc/41/83/43/386418343.db2.gz YWPQLTVEGPWRTB-LBPRGKRZSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cccc(O)c1 ZINC000277279203 175859310 /nfs/dbraw/zinc/85/93/10/175859310.db2.gz QKVMZAJESYJROG-GFCCVEGCSA-N 1 0 245.366 3.766 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cccc(O)c1 ZINC000277279205 386424191 /nfs/dbraw/zinc/42/41/91/386424191.db2.gz QKVMZAJESYJROG-LBPRGKRZSA-N 1 0 245.366 3.766 20 0 BHADRO CCCc1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277361475 398028270 /nfs/dbraw/zinc/02/82/70/398028270.db2.gz AUFAPNPNBCKOHD-UHFFFAOYSA-N 1 0 239.309 3.526 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000277409816 386432620 /nfs/dbraw/zinc/43/26/20/386432620.db2.gz ZOVMPKJPTCESFI-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000277409823 179497741 /nfs/dbraw/zinc/49/77/41/179497741.db2.gz ZOVMPKJPTCESFI-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000277414793 386432973 /nfs/dbraw/zinc/43/29/73/386432973.db2.gz GEOAOZOSTZUODJ-UHFFFAOYSA-N 1 0 239.309 3.697 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000277499893 386438588 /nfs/dbraw/zinc/43/85/88/386438588.db2.gz PLPHCEWHRUQRSP-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000277499895 386439971 /nfs/dbraw/zinc/43/99/71/386439971.db2.gz PLPHCEWHRUQRSP-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1CC(F)(F)C1 ZINC000277656157 178066789 /nfs/dbraw/zinc/06/67/89/178066789.db2.gz NJWUDXSYKOVTOM-UHFFFAOYSA-N 1 0 245.700 3.536 20 0 BHADRO FC1(F)CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000277665384 386455849 /nfs/dbraw/zinc/45/58/49/386455849.db2.gz OLSCCOPCDNDTRN-UHFFFAOYSA-N 1 0 247.288 3.727 20 0 BHADRO FC1(F)CC([NH2+]Cc2cccc3ccccc32)C1 ZINC000277742985 398032173 /nfs/dbraw/zinc/03/21/73/398032173.db2.gz VMCLABYYTOPHCE-UHFFFAOYSA-N 1 0 247.288 3.727 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000278128022 386491915 /nfs/dbraw/zinc/49/19/15/386491915.db2.gz BSHMYOZVMGNKBD-SECBINFHSA-N 1 0 249.301 3.522 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000278128025 386492863 /nfs/dbraw/zinc/49/28/63/386492863.db2.gz BSHMYOZVMGNKBD-VIFPVBQESA-N 1 0 249.301 3.522 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cs1 ZINC000278178613 188381578 /nfs/dbraw/zinc/38/15/78/188381578.db2.gz GQCKVZBHGIKONU-KBPBESRZSA-N 1 0 249.379 3.578 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCSC2)c1C ZINC000278314857 179196970 /nfs/dbraw/zinc/19/69/70/179196970.db2.gz DJQYRNAVVYELQB-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1C ZINC000278314860 179182846 /nfs/dbraw/zinc/18/28/46/179182846.db2.gz DJQYRNAVVYELQB-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCSC2)c1C ZINC000278314862 179196290 /nfs/dbraw/zinc/19/62/90/179196290.db2.gz DJQYRNAVVYELQB-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCSC2)c1C ZINC000278314866 179181591 /nfs/dbraw/zinc/18/15/91/179181591.db2.gz DJQYRNAVVYELQB-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO C[C@H](CC[NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000278324022 386510379 /nfs/dbraw/zinc/51/03/79/386510379.db2.gz GLFVFZGRJKUMPW-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](CC[NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000278324025 386511859 /nfs/dbraw/zinc/51/18/59/386511859.db2.gz GLFVFZGRJKUMPW-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2CCC3(CC3)CC2)c1 ZINC000278395784 386520607 /nfs/dbraw/zinc/52/06/07/386520607.db2.gz FCLOFTUKFYCLLZ-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2CCC3(CC3)CC2)c1 ZINC000278395785 386520286 /nfs/dbraw/zinc/52/02/86/386520286.db2.gz FCLOFTUKFYCLLZ-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCSC2)cc1 ZINC000278399171 487683438 /nfs/dbraw/zinc/68/34/38/487683438.db2.gz FRHCUYQUPKAHQY-DZGCQCFKSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCSC2)cc1 ZINC000278399173 386519582 /nfs/dbraw/zinc/51/95/82/386519582.db2.gz FRHCUYQUPKAHQY-HIFRSBDPSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCSC2)cc1 ZINC000278399175 386521076 /nfs/dbraw/zinc/52/10/76/386521076.db2.gz FRHCUYQUPKAHQY-UKRRQHHQSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCSC2)cc1 ZINC000278399178 386521212 /nfs/dbraw/zinc/52/12/12/386521212.db2.gz FRHCUYQUPKAHQY-ZFWWWQNUSA-N 1 0 247.407 3.577 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278410157 386524017 /nfs/dbraw/zinc/52/40/17/386524017.db2.gz PCALZBDHHWNSGA-KBPBESRZSA-N 1 0 249.423 3.523 20 0 BHADRO CC[C@@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278410160 170828199 /nfs/dbraw/zinc/82/81/99/170828199.db2.gz PCALZBDHHWNSGA-KGLIPLIRSA-N 1 0 249.423 3.523 20 0 BHADRO CC[C@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278410162 386522700 /nfs/dbraw/zinc/52/27/00/386522700.db2.gz PCALZBDHHWNSGA-UONOGXRCSA-N 1 0 249.423 3.523 20 0 BHADRO CC[C@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278410164 171437827 /nfs/dbraw/zinc/43/78/27/171437827.db2.gz PCALZBDHHWNSGA-ZIAGYGMSSA-N 1 0 249.423 3.523 20 0 BHADRO Cc1nc(F)ccc1C[NH2+]CCC1=CCCCC1 ZINC000278450621 386530915 /nfs/dbraw/zinc/53/09/15/386530915.db2.gz WBDJAMLRZMFZFZ-UHFFFAOYSA-N 1 0 248.345 3.509 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H](C)c1ccccc1 ZINC000278538831 386541456 /nfs/dbraw/zinc/54/14/56/386541456.db2.gz SVCQMVABUTZGNZ-HZSPNIEDSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000278538834 386543767 /nfs/dbraw/zinc/54/37/67/386543767.db2.gz SVCQMVABUTZGNZ-IHRRRGAJSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000278538840 386541468 /nfs/dbraw/zinc/54/14/68/386541468.db2.gz SVCQMVABUTZGNZ-MELADBBJSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H](C)c1ccccc1 ZINC000278538843 386541476 /nfs/dbraw/zinc/54/14/76/386541476.db2.gz SVCQMVABUTZGNZ-RDBSUJKOSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)c2ccccc21 ZINC000278549687 176422515 /nfs/dbraw/zinc/42/25/15/176422515.db2.gz UWEWAQDIQZHFKC-JMSVASOKSA-N 1 0 247.407 3.578 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)c2ccccc21 ZINC000278549688 176376597 /nfs/dbraw/zinc/37/65/97/176376597.db2.gz UWEWAQDIQZHFKC-LALPHHSUSA-N 1 0 247.407 3.578 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)c2ccccc21 ZINC000278549689 176376314 /nfs/dbraw/zinc/37/63/14/176376314.db2.gz UWEWAQDIQZHFKC-TYNCELHUSA-N 1 0 247.407 3.578 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)c2ccccc21 ZINC000278549690 384008474 /nfs/dbraw/zinc/00/84/74/384008474.db2.gz UWEWAQDIQZHFKC-XUJVJEKNSA-N 1 0 247.407 3.578 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCSC2)c1 ZINC000278571932 179027916 /nfs/dbraw/zinc/02/79/16/179027916.db2.gz XNDKUCUIPPLRBU-CYBMUJFWSA-N 1 0 249.423 3.573 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000278571934 179027994 /nfs/dbraw/zinc/02/79/94/179027994.db2.gz XNDKUCUIPPLRBU-ZDUSSCGKSA-N 1 0 249.423 3.573 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000278927451 386605454 /nfs/dbraw/zinc/60/54/54/386605454.db2.gz XCABLJCPNPOPFD-SECBINFHSA-N 1 0 249.301 3.522 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000278927460 386605372 /nfs/dbraw/zinc/60/53/72/386605372.db2.gz XCABLJCPNPOPFD-VIFPVBQESA-N 1 0 249.301 3.522 20 0 BHADRO CC[N@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000279365324 351810289 /nfs/dbraw/zinc/81/02/89/351810289.db2.gz KYWWYFVZCPQQOV-UHFFFAOYSA-N 1 0 225.282 3.609 20 0 BHADRO C[N@H+](Cc1cccc(C(F)F)c1)C1CCC1 ZINC000279685698 386720696 /nfs/dbraw/zinc/72/06/96/386720696.db2.gz HHXVIMDCBIYDKQ-UHFFFAOYSA-N 1 0 225.282 3.609 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000279696071 177110752 /nfs/dbraw/zinc/11/07/52/177110752.db2.gz IROBHOVOCRGPLI-JTQLQIEISA-N 1 0 225.282 3.609 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000279696073 176110125 /nfs/dbraw/zinc/11/01/25/176110125.db2.gz IROBHOVOCRGPLI-SNVBAGLBSA-N 1 0 225.282 3.609 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000279994372 171530276 /nfs/dbraw/zinc/53/02/76/171530276.db2.gz FNVWRQOUZCTLPU-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000279994374 170902200 /nfs/dbraw/zinc/90/22/00/170902200.db2.gz FNVWRQOUZCTLPU-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccsc1 ZINC000280028659 385251053 /nfs/dbraw/zinc/25/10/53/385251053.db2.gz HXMACZFXEWCUAG-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccsc1 ZINC000280028663 385249881 /nfs/dbraw/zinc/24/98/81/385249881.db2.gz HXMACZFXEWCUAG-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cccs1 ZINC000280028762 385251769 /nfs/dbraw/zinc/25/17/69/385251769.db2.gz HYTZFGJXTWLUHK-JTQLQIEISA-N 1 0 209.358 3.589 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccs1 ZINC000280028764 385250602 /nfs/dbraw/zinc/25/06/02/385250602.db2.gz HYTZFGJXTWLUHK-SNVBAGLBSA-N 1 0 209.358 3.589 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cccnc1Cl ZINC000280069679 385255297 /nfs/dbraw/zinc/25/52/97/385255297.db2.gz KXUSWMAGONXLHT-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccnc1Cl ZINC000280069682 188096156 /nfs/dbraw/zinc/09/61/56/188096156.db2.gz KXUSWMAGONXLHT-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(Cl)nc1 ZINC000280099531 176840628 /nfs/dbraw/zinc/84/06/28/176840628.db2.gz NAHKPDVWUYYZLX-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(Cl)nc1 ZINC000280099535 175872058 /nfs/dbraw/zinc/87/20/58/175872058.db2.gz NAHKPDVWUYYZLX-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(Cl)cn1 ZINC000280101589 385254742 /nfs/dbraw/zinc/25/47/42/385254742.db2.gz NDQIZVAEADCPPG-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(Cl)cn1 ZINC000280101592 175871514 /nfs/dbraw/zinc/87/15/14/175871514.db2.gz NDQIZVAEADCPPG-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC[C@H]([NH2+]CCC1(C)CC1)c1cccnc1 ZINC000280117571 169510164 /nfs/dbraw/zinc/51/01/64/169510164.db2.gz OBGFTSUBCTYHQD-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CCC1(C)CC1)c1cccnc1 ZINC000280117574 386780538 /nfs/dbraw/zinc/78/05/38/386780538.db2.gz OBGFTSUBCTYHQD-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO Clc1ccc([C@H]2C[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000280135604 180584854 /nfs/dbraw/zinc/58/48/54/180584854.db2.gz CPWDLEOYXOMHTG-MQMHXKEQSA-N 1 0 235.758 3.586 20 0 BHADRO c1cncc([C@@H]([NH2+]C2CCCCC2)C2CCC2)c1 ZINC000280174778 386786713 /nfs/dbraw/zinc/78/67/13/386786713.db2.gz BUFDCBLMGNEGCF-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1cncc([C@H]([NH2+]C2CCCCC2)C2CCC2)c1 ZINC000280174784 183498016 /nfs/dbraw/zinc/49/80/16/183498016.db2.gz BUFDCBLMGNEGCF-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc2c(c1)COC2 ZINC000280222757 386790794 /nfs/dbraw/zinc/79/07/94/386790794.db2.gz UVRBKWQJCCSWNY-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc2c(c1)COC2 ZINC000280222761 176839840 /nfs/dbraw/zinc/83/98/40/176839840.db2.gz UVRBKWQJCCSWNY-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO CCCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280298837 386801724 /nfs/dbraw/zinc/80/17/24/386801724.db2.gz NHLJURRZAQGLNN-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280298840 386800947 /nfs/dbraw/zinc/80/09/47/386800947.db2.gz NHLJURRZAQGLNN-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CC1(CC[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000280302868 168020419 /nfs/dbraw/zinc/02/04/19/168020419.db2.gz BJJUSEXTKXCCKH-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280328088 386805975 /nfs/dbraw/zinc/80/59/75/386805975.db2.gz PZVADZKMPAHPIM-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280328091 386805593 /nfs/dbraw/zinc/80/55/93/386805593.db2.gz PZVADZKMPAHPIM-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000280409548 386810962 /nfs/dbraw/zinc/81/09/62/386810962.db2.gz AZCSMAIGEXCJSP-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000280409553 178612932 /nfs/dbraw/zinc/61/29/32/178612932.db2.gz AZCSMAIGEXCJSP-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000280427077 167136463 /nfs/dbraw/zinc/13/64/63/167136463.db2.gz ZQOCRBZFSOTRMM-AULYBMBSSA-N 1 0 223.747 3.584 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280498999 538937345 /nfs/dbraw/zinc/93/73/45/538937345.db2.gz FYBCYJYRCDPGNU-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280499006 538936947 /nfs/dbraw/zinc/93/69/47/538936947.db2.gz FYBCYJYRCDPGNU-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO c1cc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2)cs1 ZINC000280533821 386822131 /nfs/dbraw/zinc/82/21/31/386822131.db2.gz CDEAGYNLYFZKJH-SHTZXODSSA-N 1 0 243.375 3.784 20 0 BHADRO CC1(CC[NH2+]Cc2cccc3cccnc32)CC1 ZINC000280573511 168020983 /nfs/dbraw/zinc/02/09/83/168020983.db2.gz LWNNCDPMONHRHJ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC000280582744 188031383 /nfs/dbraw/zinc/03/13/83/188031383.db2.gz SYPWCWLXLAHCJF-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC000280582748 188031685 /nfs/dbraw/zinc/03/16/85/188031685.db2.gz SYPWCWLXLAHCJF-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC000280582750 386824706 /nfs/dbraw/zinc/82/47/06/386824706.db2.gz SYPWCWLXLAHCJF-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC000280582754 386824606 /nfs/dbraw/zinc/82/46/06/386824606.db2.gz SYPWCWLXLAHCJF-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccncc1C ZINC000280599002 188031951 /nfs/dbraw/zinc/03/19/51/188031951.db2.gz UNODIRPOXMSWAA-STQMWFEESA-N 1 0 246.354 3.545 20 0 BHADRO Fc1cccc([C@H]2C[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000280632525 181003361 /nfs/dbraw/zinc/00/33/61/181003361.db2.gz MGIQNGLZJFOXKM-NNUKFRKNSA-N 1 0 233.330 3.604 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280650504 386831621 /nfs/dbraw/zinc/83/16/21/386831621.db2.gz OCCJSTVGTHKJCR-SHTZXODSSA-N 1 0 241.334 3.624 20 0 BHADRO c1csc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2)c1 ZINC000280743491 386841478 /nfs/dbraw/zinc/84/14/78/386841478.db2.gz XBOUVXBLWPGVKW-HDJSIYSDSA-N 1 0 243.375 3.784 20 0 BHADRO c1cncc([C@@H]([NH2+]CC2CCCC2)C2CCC2)c1 ZINC000280750540 385602000 /nfs/dbraw/zinc/60/20/00/385602000.db2.gz DTHUDCRHACEWBS-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cncc([C@H]([NH2+]CC2CCCC2)C2CCC2)c1 ZINC000280750544 183497146 /nfs/dbraw/zinc/49/71/46/183497146.db2.gz DTHUDCRHACEWBS-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC1 ZINC000280793442 168046651 /nfs/dbraw/zinc/04/66/51/168046651.db2.gz HSXCVIWHCWXAEO-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC1 ZINC000280793443 168045763 /nfs/dbraw/zinc/04/57/63/168045763.db2.gz HSXCVIWHCWXAEO-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)(C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280793463 166591754 /nfs/dbraw/zinc/59/17/54/166591754.db2.gz HTVYLTULLKARRK-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280793464 385604515 /nfs/dbraw/zinc/60/45/15/385604515.db2.gz HTVYLTULLKARRK-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO c1cncc([C@@H]([NH2+][C@@H]2CC=CCC2)C2CCC2)c1 ZINC000280810839 385606560 /nfs/dbraw/zinc/60/65/60/385606560.db2.gz JDWSDFDVDIWFMS-CVEARBPZSA-N 1 0 242.366 3.621 20 0 BHADRO c1cncc([C@@H]([NH2+][C@H]2CC=CCC2)C2CCC2)c1 ZINC000280810842 188031663 /nfs/dbraw/zinc/03/16/63/188031663.db2.gz JDWSDFDVDIWFMS-HOTGVXAUSA-N 1 0 242.366 3.621 20 0 BHADRO c1cncc([C@H]([NH2+][C@@H]2CC=CCC2)C2CCC2)c1 ZINC000280810845 187342797 /nfs/dbraw/zinc/34/27/97/187342797.db2.gz JDWSDFDVDIWFMS-HZPDHXFCSA-N 1 0 242.366 3.621 20 0 BHADRO c1cncc([C@H]([NH2+][C@H]2CC=CCC2)C2CCC2)c1 ZINC000280810846 385606724 /nfs/dbraw/zinc/60/67/24/385606724.db2.gz JDWSDFDVDIWFMS-JKSUJKDBSA-N 1 0 242.366 3.621 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccco1 ZINC000280817270 385607442 /nfs/dbraw/zinc/60/74/42/385607442.db2.gz MVOZYJWFILKWDS-BPLDGKMQSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccco1 ZINC000280817272 385606643 /nfs/dbraw/zinc/60/66/43/385606643.db2.gz MVOZYJWFILKWDS-QEJZJMRPSA-N 1 0 241.334 3.876 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000280885079 385614362 /nfs/dbraw/zinc/61/43/62/385614362.db2.gz FEOFVRHOWWLZLZ-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000280885083 385615153 /nfs/dbraw/zinc/61/51/53/385615153.db2.gz FEOFVRHOWWLZLZ-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000280930696 168099606 /nfs/dbraw/zinc/09/96/06/168099606.db2.gz VBEVPEIUVXODCZ-GFCCVEGCSA-N 1 0 242.322 3.541 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000280930702 168100708 /nfs/dbraw/zinc/10/07/08/168100708.db2.gz VBEVPEIUVXODCZ-LBPRGKRZSA-N 1 0 242.322 3.541 20 0 BHADRO CC1(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280977131 168022228 /nfs/dbraw/zinc/02/22/28/168022228.db2.gz VXSCKPWEFKXNSB-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280977133 168022565 /nfs/dbraw/zinc/02/25/65/168022565.db2.gz VXSCKPWEFKXNSB-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)=CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280979030 385623383 /nfs/dbraw/zinc/62/33/83/385623383.db2.gz WBIRWJJCPWWSKW-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280979032 187517546 /nfs/dbraw/zinc/51/75/46/187517546.db2.gz WBIRWJJCPWWSKW-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@@H]([NH2+]CCF)c1cc(Cl)cc(Cl)c1 ZINC000281007590 385386388 /nfs/dbraw/zinc/38/63/88/385386388.db2.gz LEGSBSOYDCITRI-SSDOTTSWSA-N 1 0 236.117 3.614 20 0 BHADRO C[C@H]([NH2+]CCF)c1cc(Cl)cc(Cl)c1 ZINC000281007606 176846526 /nfs/dbraw/zinc/84/65/26/176846526.db2.gz LEGSBSOYDCITRI-ZETCQYMHSA-N 1 0 236.117 3.614 20 0 BHADRO CCC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000281024154 385626980 /nfs/dbraw/zinc/62/69/80/385626980.db2.gz ZOIFPLMNKUVFFM-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CCC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000281024156 385628700 /nfs/dbraw/zinc/62/87/00/385628700.db2.gz ZOIFPLMNKUVFFM-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)o1 ZINC000281087862 385631839 /nfs/dbraw/zinc/63/18/39/385631839.db2.gz JXSWBXUMQXMNMV-GHMZBOCLSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)o1 ZINC000281087869 385632360 /nfs/dbraw/zinc/63/23/60/385632360.db2.gz JXSWBXUMQXMNMV-MNOVXSKESA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)o1 ZINC000281087875 385632599 /nfs/dbraw/zinc/63/25/99/385632599.db2.gz JXSWBXUMQXMNMV-QWRGUYRKSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)o1 ZINC000281087879 385632158 /nfs/dbraw/zinc/63/21/58/385632158.db2.gz JXSWBXUMQXMNMV-WDEREUQCSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000281146424 179397822 /nfs/dbraw/zinc/39/78/22/179397822.db2.gz GHDKRCCNLFTTHP-CABCVRRESA-N 1 0 246.398 3.662 20 0 BHADRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000281146426 179399701 /nfs/dbraw/zinc/39/97/01/179399701.db2.gz GHDKRCCNLFTTHP-GJZGRUSLSA-N 1 0 246.398 3.662 20 0 BHADRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000281146432 179398370 /nfs/dbraw/zinc/39/83/70/179398370.db2.gz GHDKRCCNLFTTHP-HUUCEWRRSA-N 1 0 246.398 3.662 20 0 BHADRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000281146436 179399692 /nfs/dbraw/zinc/39/96/92/179399692.db2.gz GHDKRCCNLFTTHP-LSDHHAIUSA-N 1 0 246.398 3.662 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281212493 171349037 /nfs/dbraw/zinc/34/90/37/171349037.db2.gz KYVUIJFQPJLMNF-KKUMJFAQSA-N 1 0 246.398 3.804 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281212497 171346972 /nfs/dbraw/zinc/34/69/72/171346972.db2.gz KYVUIJFQPJLMNF-RRFJBIMHSA-N 1 0 246.398 3.804 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281212501 171346796 /nfs/dbraw/zinc/34/67/96/171346796.db2.gz KYVUIJFQPJLMNF-SOUVJXGZSA-N 1 0 246.398 3.804 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281212503 171349152 /nfs/dbraw/zinc/34/91/52/171349152.db2.gz KYVUIJFQPJLMNF-ZNMIVQPWSA-N 1 0 246.398 3.804 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000281226250 385647521 /nfs/dbraw/zinc/64/75/21/385647521.db2.gz VJHRWLQCGQCLQA-NXEZZACHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000281226253 176866966 /nfs/dbraw/zinc/86/69/66/176866966.db2.gz VJHRWLQCGQCLQA-UWVGGRQHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000281226255 385647368 /nfs/dbraw/zinc/64/73/68/385647368.db2.gz VJHRWLQCGQCLQA-VHSXEESVSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000281226257 385647001 /nfs/dbraw/zinc/64/70/01/385647001.db2.gz VJHRWLQCGQCLQA-ZJUUUORDSA-N 1 0 245.338 3.834 20 0 BHADRO CCCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281300747 398059690 /nfs/dbraw/zinc/05/96/90/398059690.db2.gz RDMNCFKVLINWJW-CABCVRRESA-N 1 0 246.398 3.806 20 0 BHADRO CCCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281300750 168878264 /nfs/dbraw/zinc/87/82/64/168878264.db2.gz RDMNCFKVLINWJW-GJZGRUSLSA-N 1 0 246.398 3.806 20 0 BHADRO CCCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281300753 398059813 /nfs/dbraw/zinc/05/98/13/398059813.db2.gz RDMNCFKVLINWJW-HUUCEWRRSA-N 1 0 246.398 3.806 20 0 BHADRO CCCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281300754 398059456 /nfs/dbraw/zinc/05/94/56/398059456.db2.gz RDMNCFKVLINWJW-LSDHHAIUSA-N 1 0 246.398 3.806 20 0 BHADRO Fc1cncc([C@@H]([NH2+]C2CCCCC2)C2CC2)c1 ZINC000281365732 181020502 /nfs/dbraw/zinc/02/05/02/181020502.db2.gz WHCIHZQQFWTSAC-HNNXBMFYSA-N 1 0 248.345 3.594 20 0 BHADRO Fc1cncc([C@H]([NH2+]C2CCCCC2)C2CC2)c1 ZINC000281365750 181021235 /nfs/dbraw/zinc/02/12/35/181021235.db2.gz WHCIHZQQFWTSAC-OAHLLOKOSA-N 1 0 248.345 3.594 20 0 BHADRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCC2)C1 ZINC000281522133 491111185 /nfs/dbraw/zinc/11/11/85/491111185.db2.gz HUUHLWHVAYLUHL-DZGCQCFKSA-N 1 0 244.382 3.558 20 0 BHADRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCC2)C1 ZINC000281522149 179397701 /nfs/dbraw/zinc/39/77/01/179397701.db2.gz HUUHLWHVAYLUHL-HIFRSBDPSA-N 1 0 244.382 3.558 20 0 BHADRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCC2)C1 ZINC000281522162 179397690 /nfs/dbraw/zinc/39/76/90/179397690.db2.gz HUUHLWHVAYLUHL-UKRRQHHQSA-N 1 0 244.382 3.558 20 0 BHADRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 ZINC000281522175 179399650 /nfs/dbraw/zinc/39/96/50/179399650.db2.gz HUUHLWHVAYLUHL-ZFWWWQNUSA-N 1 0 244.382 3.558 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C1CCC1 ZINC000281635999 385443131 /nfs/dbraw/zinc/44/31/31/385443131.db2.gz IOZJKEAMCLVDRL-JTQLQIEISA-N 1 0 221.369 3.612 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281745630 179092718 /nfs/dbraw/zinc/09/27/18/179092718.db2.gz RUWACGAIFHXAEA-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281745633 179094365 /nfs/dbraw/zinc/09/43/65/179094365.db2.gz RUWACGAIFHXAEA-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)s1 ZINC000281751291 178611858 /nfs/dbraw/zinc/61/18/58/178611858.db2.gz SAJVSWFTZXIPTP-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)s1 ZINC000281751295 398063397 /nfs/dbraw/zinc/06/33/97/398063397.db2.gz SAJVSWFTZXIPTP-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000281839502 385451702 /nfs/dbraw/zinc/45/17/02/385451702.db2.gz ANUSNTGQIZJAKV-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000281839510 179527779 /nfs/dbraw/zinc/52/77/79/179527779.db2.gz ANUSNTGQIZJAKV-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO FC(F)C1CCC([NH2+]Cc2cccs2)CC1 ZINC000281867678 385455038 /nfs/dbraw/zinc/45/50/38/385455038.db2.gz FAGZXSHPJJBTSQ-UHFFFAOYSA-N 1 0 245.338 3.662 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000281890783 385711820 /nfs/dbraw/zinc/71/18/20/385711820.db2.gz DYWJJWNCEZAJGF-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000281890785 385712189 /nfs/dbraw/zinc/71/21/89/385712189.db2.gz DYWJJWNCEZAJGF-SNVBAGLBSA-N 1 0 245.338 3.663 20 0 BHADRO FC(F)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000281931523 180899669 /nfs/dbraw/zinc/89/96/69/180899669.db2.gz KLJSLDJRYQQMJL-UHFFFAOYSA-N 1 0 239.309 3.600 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)oc1C ZINC000281965663 178258709 /nfs/dbraw/zinc/25/87/09/178258709.db2.gz BHKSLQGQRVHQMI-AAEUAGOBSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)oc1C ZINC000281965665 178231608 /nfs/dbraw/zinc/23/16/08/178231608.db2.gz BHKSLQGQRVHQMI-DGCLKSJQSA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)oc1C ZINC000281965668 178254443 /nfs/dbraw/zinc/25/44/43/178254443.db2.gz BHKSLQGQRVHQMI-WCQYABFASA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)oc1C ZINC000281965671 178233125 /nfs/dbraw/zinc/23/31/25/178233125.db2.gz BHKSLQGQRVHQMI-YPMHNXCESA-N 1 0 219.328 3.656 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccsc2)oc1C ZINC000281982693 178252213 /nfs/dbraw/zinc/25/22/13/178252213.db2.gz CAZLYDJYMPEDIX-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccsc2)oc1C ZINC000281982696 178228886 /nfs/dbraw/zinc/22/88/86/178228886.db2.gz CAZLYDJYMPEDIX-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C1CCC1 ZINC000281996916 175584560 /nfs/dbraw/zinc/58/45/60/175584560.db2.gz IOZJKEAMCLVDRL-SNVBAGLBSA-N 1 0 221.369 3.612 20 0 BHADRO FC(F)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000282026822 180899133 /nfs/dbraw/zinc/89/91/33/180899133.db2.gz SRYJTSIOYJVZBO-UHFFFAOYSA-N 1 0 245.338 3.662 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(F)(F)F)oc1C ZINC000282080798 178224662 /nfs/dbraw/zinc/22/46/62/178224662.db2.gz HOWGJYIZMZTNDM-SECBINFHSA-N 1 0 249.276 3.890 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(F)(F)F)oc1C ZINC000282080801 178247322 /nfs/dbraw/zinc/24/73/22/178247322.db2.gz HOWGJYIZMZTNDM-VIFPVBQESA-N 1 0 249.276 3.890 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000282086816 174396744 /nfs/dbraw/zinc/39/67/44/174396744.db2.gz HXOIRTYORAVTNO-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000282086821 174397536 /nfs/dbraw/zinc/39/75/36/174397536.db2.gz HXOIRTYORAVTNO-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000282086825 385732685 /nfs/dbraw/zinc/73/26/85/385732685.db2.gz HXOIRTYORAVTNO-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000282086829 174396615 /nfs/dbraw/zinc/39/66/15/174396615.db2.gz HXOIRTYORAVTNO-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000282086833 385732020 /nfs/dbraw/zinc/73/20/20/385732020.db2.gz HXOIRTYORAVTNO-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000282086836 174397651 /nfs/dbraw/zinc/39/76/51/174397651.db2.gz HXOIRTYORAVTNO-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2)oc1C ZINC000282105788 178229156 /nfs/dbraw/zinc/22/91/56/178229156.db2.gz IVBSVAVPGRZEKG-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2)oc1C ZINC000282105794 178252691 /nfs/dbraw/zinc/25/26/91/178252691.db2.gz IVBSVAVPGRZEKG-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)o1 ZINC000282109941 385734955 /nfs/dbraw/zinc/73/49/55/385734955.db2.gz UAHUPMFPOJBPJY-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)o1 ZINC000282109947 386394627 /nfs/dbraw/zinc/39/46/27/386394627.db2.gz UAHUPMFPOJBPJY-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000282112194 180917860 /nfs/dbraw/zinc/91/78/60/180917860.db2.gz UDVAUUUXRUVYPW-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000282112197 385735138 /nfs/dbraw/zinc/73/51/38/385735138.db2.gz UDVAUUUXRUVYPW-SNVBAGLBSA-N 1 0 245.338 3.663 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000282138481 183373817 /nfs/dbraw/zinc/37/38/17/183373817.db2.gz KMHXQEXZAQNXAZ-GXTWGEPZSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000282138486 183372822 /nfs/dbraw/zinc/37/28/22/183372822.db2.gz KMHXQEXZAQNXAZ-JSGCOSHPSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000282138490 183372748 /nfs/dbraw/zinc/37/27/48/183372748.db2.gz KMHXQEXZAQNXAZ-OCCSQVGLSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000282138496 183373101 /nfs/dbraw/zinc/37/31/01/183373101.db2.gz KMHXQEXZAQNXAZ-TZMCWYRMSA-N 1 0 231.339 3.579 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cc[nH]c1 ZINC000282156381 385737173 /nfs/dbraw/zinc/73/71/73/385737173.db2.gz XJBKINJGMGCGIX-LLVKDONJSA-N 1 0 246.379 3.587 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccs2)oc1C ZINC000282174997 178252404 /nfs/dbraw/zinc/25/24/04/178252404.db2.gz MLIKZGBUFNCXCB-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccs2)oc1C ZINC000282175000 178228995 /nfs/dbraw/zinc/22/89/95/178228995.db2.gz MLIKZGBUFNCXCB-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccnc2)oc1C ZINC000282193639 178258767 /nfs/dbraw/zinc/25/87/67/178258767.db2.gz NNHCLPYQRCABIQ-NEPJUHHUSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)oc1C ZINC000282193641 178231435 /nfs/dbraw/zinc/23/14/35/178231435.db2.gz NNHCLPYQRCABIQ-NWDGAFQWSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccnc2)oc1C ZINC000282193645 178253137 /nfs/dbraw/zinc/25/31/37/178253137.db2.gz NNHCLPYQRCABIQ-RYUDHWBXSA-N 1 0 244.338 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)oc1C ZINC000282193649 178233024 /nfs/dbraw/zinc/23/30/24/178233024.db2.gz NNHCLPYQRCABIQ-VXGBXAGGSA-N 1 0 244.338 3.703 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC12CCC2 ZINC000282233855 175775216 /nfs/dbraw/zinc/77/52/16/175775216.db2.gz PONBQAGKAAGIQW-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC12CCC2 ZINC000282233861 385536265 /nfs/dbraw/zinc/53/62/65/385536265.db2.gz PONBQAGKAAGIQW-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC12CCC2 ZINC000282233867 385536436 /nfs/dbraw/zinc/53/64/36/385536436.db2.gz PONBQAGKAAGIQW-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC12CCC2 ZINC000282233872 385536600 /nfs/dbraw/zinc/53/66/00/385536600.db2.gz PONBQAGKAAGIQW-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC12CCC2 ZINC000282345738 491111406 /nfs/dbraw/zinc/11/14/06/491111406.db2.gz VMFDBNPKTCHRAH-GXTWGEPZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC12CCC2 ZINC000282345744 175687928 /nfs/dbraw/zinc/68/79/28/175687928.db2.gz VMFDBNPKTCHRAH-JSGCOSHPSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC12CCC2 ZINC000282345749 176641914 /nfs/dbraw/zinc/64/19/14/176641914.db2.gz VMFDBNPKTCHRAH-OCCSQVGLSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC12CCC2 ZINC000282345754 491111375 /nfs/dbraw/zinc/11/13/75/491111375.db2.gz VMFDBNPKTCHRAH-TZMCWYRMSA-N 1 0 233.355 3.523 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2)oc1C ZINC000282376097 178228736 /nfs/dbraw/zinc/22/87/36/178228736.db2.gz WUYKUBRNTXLKRJ-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(F)c2)oc1C ZINC000282376100 178252392 /nfs/dbraw/zinc/25/23/92/178252392.db2.gz WUYKUBRNTXLKRJ-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000282388359 384265119 /nfs/dbraw/zinc/26/51/19/384265119.db2.gz XHNRDTCEYFVMIF-JTQLQIEISA-N 1 0 241.400 3.689 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000282388363 384265688 /nfs/dbraw/zinc/26/56/88/384265688.db2.gz XHNRDTCEYFVMIF-SNVBAGLBSA-N 1 0 241.400 3.689 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000282408578 178071639 /nfs/dbraw/zinc/07/16/39/178071639.db2.gz CEUQRUADOJKESN-JTQLQIEISA-N 1 0 240.778 3.568 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000282410659 178071928 /nfs/dbraw/zinc/07/19/28/178071928.db2.gz CEUQRUADOJKESN-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2)oc1C ZINC000282424455 178228959 /nfs/dbraw/zinc/22/89/59/178228959.db2.gz YSGCEGPXZCXMOM-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2)oc1C ZINC000282424460 178252149 /nfs/dbraw/zinc/25/21/49/178252149.db2.gz YSGCEGPXZCXMOM-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)c1ccsc1 ZINC000282482311 167331992 /nfs/dbraw/zinc/33/19/92/167331992.db2.gz LTBFMGNUFBBRKP-JTQLQIEISA-N 1 0 229.414 3.540 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)c1ccsc1 ZINC000282482312 167331657 /nfs/dbraw/zinc/33/16/57/167331657.db2.gz LTBFMGNUFBBRKP-SNVBAGLBSA-N 1 0 229.414 3.540 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]Cc1cc[nH]c1 ZINC000282510042 385768952 /nfs/dbraw/zinc/76/89/52/385768952.db2.gz XJBKINJGMGCGIX-NSHDSACASA-N 1 0 246.379 3.587 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000282575488 171317293 /nfs/dbraw/zinc/31/72/93/171317293.db2.gz FRTDNUCKBXMTDR-CMPLNLGQSA-N 1 0 209.358 3.684 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000282575491 171317852 /nfs/dbraw/zinc/31/78/52/171317852.db2.gz FRTDNUCKBXMTDR-JQWIXIFHSA-N 1 0 209.358 3.684 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000282575493 385773223 /nfs/dbraw/zinc/77/32/23/385773223.db2.gz FRTDNUCKBXMTDR-PWSUYJOCSA-N 1 0 209.358 3.684 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000282575495 385772603 /nfs/dbraw/zinc/77/26/03/385772603.db2.gz FRTDNUCKBXMTDR-ZYHUDNBSSA-N 1 0 209.358 3.684 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000282604356 385932083 /nfs/dbraw/zinc/93/20/83/385932083.db2.gz KEQHZDSOUDJUFO-CHWSQXEVSA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000282604360 385931135 /nfs/dbraw/zinc/93/11/35/385931135.db2.gz KEQHZDSOUDJUFO-OLZOCXBDSA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000282604365 385931901 /nfs/dbraw/zinc/93/19/01/385931901.db2.gz KEQHZDSOUDJUFO-QWHCGFSZSA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000282604368 188049762 /nfs/dbraw/zinc/04/97/62/188049762.db2.gz KEQHZDSOUDJUFO-STQMWFEESA-N 1 0 241.375 3.756 20 0 BHADRO CSCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282751450 175487375 /nfs/dbraw/zinc/48/73/75/175487375.db2.gz ATRPZFVAPLSAJX-QEJZJMRPSA-N 1 0 249.423 3.521 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282751452 175487685 /nfs/dbraw/zinc/48/76/85/175487685.db2.gz ATRPZFVAPLSAJX-SNPRPXQTSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773784 385785420 /nfs/dbraw/zinc/78/54/20/385785420.db2.gz PDLLQHHHPGBYFC-GHMZBOCLSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773785 385784354 /nfs/dbraw/zinc/78/43/54/385784354.db2.gz PDLLQHHHPGBYFC-MNOVXSKESA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773787 385784514 /nfs/dbraw/zinc/78/45/14/385784514.db2.gz PDLLQHHHPGBYFC-QWRGUYRKSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773789 385784804 /nfs/dbraw/zinc/78/48/04/385784804.db2.gz PDLLQHHHPGBYFC-WDEREUQCSA-N 1 0 243.297 3.756 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000282852155 386761046 /nfs/dbraw/zinc/76/10/46/386761046.db2.gz XJKDLRWAQNVICQ-AAEUAGOBSA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000282852160 386761621 /nfs/dbraw/zinc/76/16/21/386761621.db2.gz XJKDLRWAQNVICQ-DGCLKSJQSA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000282852166 386760645 /nfs/dbraw/zinc/76/06/45/386760645.db2.gz XJKDLRWAQNVICQ-WCQYABFASA-N 1 0 241.375 3.756 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000282852170 386761445 /nfs/dbraw/zinc/76/14/45/386761445.db2.gz XJKDLRWAQNVICQ-YPMHNXCESA-N 1 0 241.375 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000282889375 385795778 /nfs/dbraw/zinc/79/57/78/385795778.db2.gz WEBPYBXSHXUFFC-AAEUAGOBSA-N 1 0 236.359 3.769 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000282889376 385795705 /nfs/dbraw/zinc/79/57/05/385795705.db2.gz WEBPYBXSHXUFFC-DGCLKSJQSA-N 1 0 236.359 3.769 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000282889378 385795113 /nfs/dbraw/zinc/79/51/13/385795113.db2.gz WEBPYBXSHXUFFC-WCQYABFASA-N 1 0 236.359 3.769 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282956251 385800040 /nfs/dbraw/zinc/80/00/40/385800040.db2.gz CHAYJPUCRKXMGF-KCXAZCMYSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282956253 385799507 /nfs/dbraw/zinc/79/95/07/385799507.db2.gz CHAYJPUCRKXMGF-RCBQFDQVSA-N 1 0 241.334 3.561 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282970384 385799209 /nfs/dbraw/zinc/79/92/09/385799209.db2.gz DBTNGFQUZLZZFC-DHMWGJHJSA-N 1 0 249.423 3.520 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282970387 175523684 /nfs/dbraw/zinc/52/36/84/175523684.db2.gz DBTNGFQUZLZZFC-JURCDPSOSA-N 1 0 249.423 3.520 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282970388 385799910 /nfs/dbraw/zinc/79/99/10/385799910.db2.gz DBTNGFQUZLZZFC-NEBZKDRISA-N 1 0 249.423 3.520 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282970391 385799576 /nfs/dbraw/zinc/79/95/76/385799576.db2.gz DBTNGFQUZLZZFC-UXOAXIEHSA-N 1 0 249.423 3.520 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000282983894 385801472 /nfs/dbraw/zinc/80/14/72/385801472.db2.gz DXXFBHNZHLANQO-APYUEPQZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000282983897 176907496 /nfs/dbraw/zinc/90/74/96/176907496.db2.gz DXXFBHNZHLANQO-KNPMLCFXSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000282983903 385802530 /nfs/dbraw/zinc/80/25/30/385802530.db2.gz DXXFBHNZHLANQO-MPTQWLOMSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282983909 176912531 /nfs/dbraw/zinc/91/25/31/176912531.db2.gz DXXFBHNZHLANQO-VZAMPYOESA-N 1 0 229.367 3.567 20 0 BHADRO CC(C)c1nccn1Cc1sccc1Cl ZINC000283077053 385808234 /nfs/dbraw/zinc/80/82/34/385808234.db2.gz PQQRYJOAOYVDJF-UHFFFAOYSA-N 1 0 240.759 3.770 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283160016 175904176 /nfs/dbraw/zinc/90/41/76/175904176.db2.gz IOHQUWKFYIVMFV-KCXAZCMYSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283160020 385812053 /nfs/dbraw/zinc/81/20/53/385812053.db2.gz IOHQUWKFYIVMFV-RCBQFDQVSA-N 1 0 241.334 3.561 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283369274 175563455 /nfs/dbraw/zinc/56/34/55/175563455.db2.gz NVLSOLFKYFDYQF-DHMWGJHJSA-N 1 0 249.423 3.520 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283369279 491112037 /nfs/dbraw/zinc/11/20/37/491112037.db2.gz NVLSOLFKYFDYQF-JURCDPSOSA-N 1 0 249.423 3.520 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283369283 175544341 /nfs/dbraw/zinc/54/43/41/175544341.db2.gz NVLSOLFKYFDYQF-NEBZKDRISA-N 1 0 249.423 3.520 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283369289 491112041 /nfs/dbraw/zinc/11/20/41/491112041.db2.gz NVLSOLFKYFDYQF-UXOAXIEHSA-N 1 0 249.423 3.520 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CCCCCF ZINC000283908661 177036815 /nfs/dbraw/zinc/03/68/15/177036815.db2.gz BSQRDEFMWQSOAL-GFCCVEGCSA-N 1 0 239.334 3.525 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCCCCF ZINC000283908663 176019385 /nfs/dbraw/zinc/01/93/85/176019385.db2.gz BSQRDEFMWQSOAL-LBPRGKRZSA-N 1 0 239.334 3.525 20 0 BHADRO C[C@H]([NH2+]CCCCCF)c1cccc(F)c1F ZINC000283953193 385841577 /nfs/dbraw/zinc/84/15/77/385841577.db2.gz DPWJWVIUJNCHLS-JTQLQIEISA-N 1 0 245.288 3.755 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)c1cccc(F)c1F ZINC000283953197 385841661 /nfs/dbraw/zinc/84/16/61/385841661.db2.gz DPWJWVIUJNCHLS-SNVBAGLBSA-N 1 0 245.288 3.755 20 0 BHADRO C[C@H]([NH2+]CCCCCF)c1ccc(F)cc1F ZINC000283982946 385845250 /nfs/dbraw/zinc/84/52/50/385845250.db2.gz FXBINMGKBYXPHF-JTQLQIEISA-N 1 0 245.288 3.755 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)c1ccc(F)cc1F ZINC000283982950 385845720 /nfs/dbraw/zinc/84/57/20/385845720.db2.gz FXBINMGKBYXPHF-SNVBAGLBSA-N 1 0 245.288 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(Cl)nc1 ZINC000284065380 386140062 /nfs/dbraw/zinc/14/00/62/386140062.db2.gz AMFZUTNMNCLMLZ-GXSJLCMTSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(Cl)nc1 ZINC000284065388 386139960 /nfs/dbraw/zinc/13/99/60/386139960.db2.gz AMFZUTNMNCLMLZ-KOLCDFICSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(Cl)nc1 ZINC000284065394 175913381 /nfs/dbraw/zinc/91/33/81/175913381.db2.gz AMFZUTNMNCLMLZ-MWLCHTKSSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(Cl)nc1 ZINC000284065401 386139372 /nfs/dbraw/zinc/13/93/72/386139372.db2.gz AMFZUTNMNCLMLZ-ONGXEEELSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]CCCCCF)c1cccs1 ZINC000284092032 387064734 /nfs/dbraw/zinc/06/47/34/387064734.db2.gz LYZRUAUCLWBFKZ-JTQLQIEISA-N 1 0 215.337 3.539 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccs1 ZINC000284110982 176893783 /nfs/dbraw/zinc/89/37/83/176893783.db2.gz CDNYAFQAKZKUHY-GXSJLCMTSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccs1 ZINC000284110987 386444121 /nfs/dbraw/zinc/44/41/21/386444121.db2.gz CDNYAFQAKZKUHY-KOLCDFICSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccs1 ZINC000284110991 175912721 /nfs/dbraw/zinc/91/27/21/175912721.db2.gz CDNYAFQAKZKUHY-MWLCHTKSSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccs1 ZINC000284110995 385850357 /nfs/dbraw/zinc/85/03/57/385850357.db2.gz CDNYAFQAKZKUHY-ONGXEEELSA-N 1 0 209.358 3.587 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000284114193 359284812 /nfs/dbraw/zinc/28/48/12/359284812.db2.gz CGWWEHOSTHMIGW-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000284114198 387148933 /nfs/dbraw/zinc/14/89/33/387148933.db2.gz CGWWEHOSTHMIGW-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cccnc1 ZINC000284122190 387152082 /nfs/dbraw/zinc/15/20/82/387152082.db2.gz UHALIEPSMFALQK-DZGCQCFKSA-N 1 0 230.355 3.621 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cccnc1 ZINC000284122192 387151328 /nfs/dbraw/zinc/15/13/28/387151328.db2.gz UHALIEPSMFALQK-HIFRSBDPSA-N 1 0 230.355 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cccnc1 ZINC000284122195 387150808 /nfs/dbraw/zinc/15/08/08/387150808.db2.gz UHALIEPSMFALQK-UKRRQHHQSA-N 1 0 230.355 3.621 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cccnc1 ZINC000284122199 387150885 /nfs/dbraw/zinc/15/08/85/387150885.db2.gz UHALIEPSMFALQK-ZFWWWQNUSA-N 1 0 230.355 3.621 20 0 BHADRO CC(C)[N@H+](CCCCCF)Cc1ccco1 ZINC000284134023 188207030 /nfs/dbraw/zinc/20/70/30/188207030.db2.gz OJCPDVAIWYIRKP-UHFFFAOYSA-N 1 0 227.323 3.630 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccncc1 ZINC000284153548 385853370 /nfs/dbraw/zinc/85/33/70/385853370.db2.gz PJJGLXRDNJADHC-CABCVRRESA-N 1 0 230.355 3.621 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)c1ccncc1 ZINC000284153550 171547605 /nfs/dbraw/zinc/54/76/05/171547605.db2.gz PJJGLXRDNJADHC-GJZGRUSLSA-N 1 0 230.355 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccncc1 ZINC000284153551 351992923 /nfs/dbraw/zinc/99/29/23/351992923.db2.gz PJJGLXRDNJADHC-HUUCEWRRSA-N 1 0 230.355 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1ccncc1 ZINC000284153552 351993213 /nfs/dbraw/zinc/99/32/13/351993213.db2.gz PJJGLXRDNJADHC-LSDHHAIUSA-N 1 0 230.355 3.621 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CC1(C)CCC1 ZINC000284155564 351993256 /nfs/dbraw/zinc/99/32/56/351993256.db2.gz WDLYCMDTVRYIOF-AWEZNQCLSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CC1(C)CCC1 ZINC000284155570 385854444 /nfs/dbraw/zinc/85/44/44/385854444.db2.gz WDLYCMDTVRYIOF-CQSZACIVSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CCCCCF ZINC000284191548 177048476 /nfs/dbraw/zinc/04/84/76/177048476.db2.gz RWLLFKLPNYOVJV-LLVKDONJSA-N 1 0 229.364 3.881 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CCCCCF ZINC000284191550 176033227 /nfs/dbraw/zinc/03/32/27/176033227.db2.gz RWLLFKLPNYOVJV-NSHDSACASA-N 1 0 229.364 3.881 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CCCCCF)C1CC1 ZINC000284196483 177047341 /nfs/dbraw/zinc/04/73/41/177047341.db2.gz SECLRVAXLWMVKU-GFCCVEGCSA-N 1 0 239.334 3.945 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CCCCCF)C1CC1 ZINC000284196485 176031345 /nfs/dbraw/zinc/03/13/45/176031345.db2.gz SECLRVAXLWMVKU-LBPRGKRZSA-N 1 0 239.334 3.945 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCCCCF ZINC000284213415 170956366 /nfs/dbraw/zinc/95/63/66/170956366.db2.gz TYDIFFSCOJOYJL-AWEZNQCLSA-N 1 0 238.350 3.604 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCCCCF ZINC000284213417 385857979 /nfs/dbraw/zinc/85/79/79/385857979.db2.gz TYDIFFSCOJOYJL-CQSZACIVSA-N 1 0 238.350 3.604 20 0 BHADRO C[C@H]([NH2+]CCCCCF)c1c(F)cccc1F ZINC000284221803 385857932 /nfs/dbraw/zinc/85/79/32/385857932.db2.gz UMBHUCOATSQJLF-JTQLQIEISA-N 1 0 245.288 3.755 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)c1c(F)cccc1F ZINC000284221805 385857998 /nfs/dbraw/zinc/85/79/98/385857998.db2.gz UMBHUCOATSQJLF-SNVBAGLBSA-N 1 0 245.288 3.755 20 0 BHADRO FCCCCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000284235193 385857903 /nfs/dbraw/zinc/85/79/03/385857903.db2.gz VIJAUSVQYOXESU-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000284266046 168119882 /nfs/dbraw/zinc/11/98/82/168119882.db2.gz WNQDZQPBZSBKCX-GXTWGEPZSA-N 1 0 231.339 3.542 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000284266050 168121683 /nfs/dbraw/zinc/12/16/83/168121683.db2.gz WNQDZQPBZSBKCX-JSGCOSHPSA-N 1 0 231.339 3.542 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000284266051 168121215 /nfs/dbraw/zinc/12/12/15/168121215.db2.gz WNQDZQPBZSBKCX-OCCSQVGLSA-N 1 0 231.339 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000284266055 168118765 /nfs/dbraw/zinc/11/87/65/168118765.db2.gz WNQDZQPBZSBKCX-TZMCWYRMSA-N 1 0 231.339 3.542 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000284394167 359298260 /nfs/dbraw/zinc/29/82/60/359298260.db2.gz PJVHFWJOUYYTDD-AWEZNQCLSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000284395899 387182941 /nfs/dbraw/zinc/18/29/41/387182941.db2.gz PJVHFWJOUYYTDD-CQSZACIVSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H]1CCC1(C)C)c1cccnc1 ZINC000284527557 167399361 /nfs/dbraw/zinc/39/93/61/167399361.db2.gz WYGSQWZSOALUKI-CABCVRRESA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CCC1(C)C)c1cccnc1 ZINC000284527567 188386069 /nfs/dbraw/zinc/38/60/69/188386069.db2.gz WYGSQWZSOALUKI-GJZGRUSLSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1cccnc1 ZINC000284527573 167399734 /nfs/dbraw/zinc/39/97/34/167399734.db2.gz WYGSQWZSOALUKI-HUUCEWRRSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CCC1(C)C)c1cccnc1 ZINC000284527580 385872715 /nfs/dbraw/zinc/87/27/15/385872715.db2.gz WYGSQWZSOALUKI-LSDHHAIUSA-N 1 0 246.398 3.599 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000284872708 168118826 /nfs/dbraw/zinc/11/88/26/168118826.db2.gz BBGLILLFNHCEIM-GFCCVEGCSA-N 1 0 248.395 3.609 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000284872710 168120455 /nfs/dbraw/zinc/12/04/55/168120455.db2.gz BBGLILLFNHCEIM-LBPRGKRZSA-N 1 0 248.395 3.609 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000285064476 385897865 /nfs/dbraw/zinc/89/78/65/385897865.db2.gz DSBUUBCNYJXQFZ-AWEZNQCLSA-N 1 0 221.319 3.573 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000285064479 385898037 /nfs/dbraw/zinc/89/80/37/385898037.db2.gz DSBUUBCNYJXQFZ-CQSZACIVSA-N 1 0 221.319 3.573 20 0 BHADRO C[N@H+](CCCCF)Cc1ccc(Cl)s1 ZINC000285098131 385899564 /nfs/dbraw/zinc/89/95/64/385899564.db2.gz GZHBDXRLJDPCGN-UHFFFAOYSA-N 1 0 235.755 3.583 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCCF ZINC000285185711 177033626 /nfs/dbraw/zinc/03/36/26/177033626.db2.gz NIDUSCQITKHIIM-LLVKDONJSA-N 1 0 227.298 3.568 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCCF ZINC000285185715 176015636 /nfs/dbraw/zinc/01/56/36/176015636.db2.gz NIDUSCQITKHIIM-NSHDSACASA-N 1 0 227.298 3.568 20 0 BHADRO c1coc(C2=CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000285199793 385905424 /nfs/dbraw/zinc/90/54/24/385905424.db2.gz CXMPEAKICVFOBS-UHFFFAOYSA-N 1 0 245.347 3.630 20 0 BHADRO FCCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000285213843 180928403 /nfs/dbraw/zinc/92/84/03/180928403.db2.gz GDJGSDSZJLGZPO-CABCVRRESA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000285216364 385907340 /nfs/dbraw/zinc/90/73/40/385907340.db2.gz GDJGSDSZJLGZPO-GJZGRUSLSA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000285216366 180927566 /nfs/dbraw/zinc/92/75/66/180927566.db2.gz GDJGSDSZJLGZPO-HUUCEWRRSA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000285216367 180926258 /nfs/dbraw/zinc/92/62/58/180926258.db2.gz GDJGSDSZJLGZPO-LSDHHAIUSA-N 1 0 235.346 3.662 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2=CCCCCC2)no1 ZINC000285225326 178225075 /nfs/dbraw/zinc/22/50/75/178225075.db2.gz PAXFRJFJUJTFJN-CYBMUJFWSA-N 1 0 248.370 3.914 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2=CCCCCC2)no1 ZINC000285225334 178246722 /nfs/dbraw/zinc/24/67/22/178246722.db2.gz PAXFRJFJUJTFJN-ZDUSSCGKSA-N 1 0 248.370 3.914 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CCCCF ZINC000285227017 387252322 /nfs/dbraw/zinc/25/23/22/387252322.db2.gz GWCYBXBEIVKKDH-LLVKDONJSA-N 1 0 241.375 3.809 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CCCCF ZINC000285227023 387253499 /nfs/dbraw/zinc/25/34/99/387253499.db2.gz GWCYBXBEIVKKDH-NSHDSACASA-N 1 0 241.375 3.809 20 0 BHADRO CC[N@H+](Cc1cc(-c2ccccc2)on1)C(C)C ZINC000285247662 352031667 /nfs/dbraw/zinc/03/16/67/352031667.db2.gz YWKPUYHRAXJWQT-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO CC[N@H+](CCCCF)[C@H](C)Cc1ccsc1 ZINC000285292022 385912471 /nfs/dbraw/zinc/91/24/71/385912471.db2.gz LGFAPPCDMVTPRC-GFCCVEGCSA-N 1 0 243.391 3.751 20 0 BHADRO CC[N@H+](CCCCF)[C@@H](C)Cc1ccsc1 ZINC000285292024 385913492 /nfs/dbraw/zinc/91/34/92/385913492.db2.gz LGFAPPCDMVTPRC-LBPRGKRZSA-N 1 0 243.391 3.751 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCCF ZINC000285303116 176014490 /nfs/dbraw/zinc/01/44/90/176014490.db2.gz UWGSJSWNZLWXDK-JTQLQIEISA-N 1 0 245.288 3.707 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCCF ZINC000285303117 177033018 /nfs/dbraw/zinc/03/30/18/177033018.db2.gz UWGSJSWNZLWXDK-SNVBAGLBSA-N 1 0 245.288 3.707 20 0 BHADRO FCCCC[NH+]1CCC(c2ccsc2)CC1 ZINC000285303393 385913472 /nfs/dbraw/zinc/91/34/72/385913472.db2.gz MFGYJYHFYDJIMO-UHFFFAOYSA-N 1 0 241.375 3.677 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cc2ccccc2o1 ZINC000285330788 387258158 /nfs/dbraw/zinc/25/81/58/387258158.db2.gz OJTIIXUYRGOGNV-NSHDSACASA-N 1 0 235.302 3.833 20 0 BHADRO Cc1cc2cc(C[NH2+]C3CCCC3)ccc2[nH]1 ZINC000285362646 178294786 /nfs/dbraw/zinc/29/47/86/178294786.db2.gz BMMKSDDOVSSLOY-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCCF ZINC000285363973 176013486 /nfs/dbraw/zinc/01/34/86/176013486.db2.gz AKGISBXFOCCTSU-JTQLQIEISA-N 1 0 245.288 3.707 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCCF ZINC000285363984 177032253 /nfs/dbraw/zinc/03/22/53/177032253.db2.gz AKGISBXFOCCTSU-SNVBAGLBSA-N 1 0 245.288 3.707 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CCCCF)cc1 ZINC000285388256 188050406 /nfs/dbraw/zinc/05/04/06/188050406.db2.gz SLEBSJRKFQZFLT-LLVKDONJSA-N 1 0 241.375 3.809 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CCCCF)cc1 ZINC000285388257 175578214 /nfs/dbraw/zinc/57/82/14/175578214.db2.gz SLEBSJRKFQZFLT-NSHDSACASA-N 1 0 241.375 3.809 20 0 BHADRO FCCCCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285433093 370687726 /nfs/dbraw/zinc/68/77/26/370687726.db2.gz WWFXKDANMDMCSD-UHFFFAOYSA-N 1 0 237.318 3.509 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000285463000 385928002 /nfs/dbraw/zinc/92/80/02/385928002.db2.gz AIFGEPIWJJUOON-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000285463005 385927626 /nfs/dbraw/zinc/92/76/26/385927626.db2.gz AIFGEPIWJJUOON-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000285463011 385928238 /nfs/dbraw/zinc/92/82/38/385928238.db2.gz AIFGEPIWJJUOON-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000285463014 385929083 /nfs/dbraw/zinc/92/90/83/385929083.db2.gz AIFGEPIWJJUOON-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000285478479 385931657 /nfs/dbraw/zinc/93/16/57/385931657.db2.gz BISVVVPYONFZGS-HZSPNIEDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000285478480 385931326 /nfs/dbraw/zinc/93/13/26/385931326.db2.gz BISVVVPYONFZGS-IHRRRGAJSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000285478481 385929866 /nfs/dbraw/zinc/92/98/66/385929866.db2.gz BISVVVPYONFZGS-MELADBBJSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000285478482 385931136 /nfs/dbraw/zinc/93/11/36/385931136.db2.gz BISVVVPYONFZGS-RDBSUJKOSA-N 1 0 232.371 3.619 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CCCCF)C1CC1 ZINC000285483664 177047437 /nfs/dbraw/zinc/04/74/37/177047437.db2.gz CVRQLAKLMDGMGF-LLVKDONJSA-N 1 0 225.307 3.555 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CCCCF)C1CC1 ZINC000285483666 176031793 /nfs/dbraw/zinc/03/17/93/176031793.db2.gz CVRQLAKLMDGMGF-NSHDSACASA-N 1 0 225.307 3.555 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccccc1Cl ZINC000285485523 387268836 /nfs/dbraw/zinc/26/88/36/387268836.db2.gz DAVVOXPOAWRBHZ-JTQLQIEISA-N 1 0 229.726 3.740 20 0 BHADRO CC(C)([NH2+]CCCCF)c1ccc(F)c(F)c1 ZINC000285491914 385931763 /nfs/dbraw/zinc/93/17/63/385931763.db2.gz DKZYLXZODOHNDT-UHFFFAOYSA-N 1 0 245.288 3.539 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1)c1cccc(C)c1 ZINC000285505264 387271708 /nfs/dbraw/zinc/27/17/08/387271708.db2.gz CYUJXBTWXFXFNV-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1)c1cccc(C)c1 ZINC000285507161 387270967 /nfs/dbraw/zinc/27/09/67/387270967.db2.gz CYUJXBTWXFXFNV-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285511136 169380761 /nfs/dbraw/zinc/38/07/61/169380761.db2.gz BCGLLHQZDVHKMN-NXEZZACHSA-N 1 0 242.313 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285511139 187345096 /nfs/dbraw/zinc/34/50/96/187345096.db2.gz BCGLLHQZDVHKMN-UWVGGRQHSA-N 1 0 242.313 3.589 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285511142 169379726 /nfs/dbraw/zinc/37/97/26/169379726.db2.gz BCGLLHQZDVHKMN-VHSXEESVSA-N 1 0 242.313 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285511143 187345467 /nfs/dbraw/zinc/34/54/67/187345467.db2.gz BCGLLHQZDVHKMN-ZJUUUORDSA-N 1 0 242.313 3.589 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1ccc(F)cc1F ZINC000285524110 385937736 /nfs/dbraw/zinc/93/77/36/385937736.db2.gz GNMGEDNMZGBLRM-CYBMUJFWSA-N 1 0 245.288 3.755 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1ccc(F)cc1F ZINC000285524112 385935835 /nfs/dbraw/zinc/93/58/35/385935835.db2.gz GNMGEDNMZGBLRM-ZDUSSCGKSA-N 1 0 245.288 3.755 20 0 BHADRO FCCCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000285526348 387271640 /nfs/dbraw/zinc/27/16/40/387271640.db2.gz GRIUNHBNVBQWOF-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000285526540 385935906 /nfs/dbraw/zinc/93/59/06/385935906.db2.gz FEXHMLKXYSXXGK-KBPBESRZSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000285526545 385937471 /nfs/dbraw/zinc/93/74/71/385937471.db2.gz FEXHMLKXYSXXGK-KGLIPLIRSA-N 1 0 240.350 3.802 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000285526548 385935922 /nfs/dbraw/zinc/93/59/22/385935922.db2.gz FEXHMLKXYSXXGK-ZIAGYGMSSA-N 1 0 240.350 3.802 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H](C)c1ccccc1 ZINC000285541031 176022943 /nfs/dbraw/zinc/02/29/43/176022943.db2.gz HRBIWFXFHYIECY-CHWSQXEVSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H](C)c1ccccc1 ZINC000285541039 176842666 /nfs/dbraw/zinc/84/26/66/176842666.db2.gz HRBIWFXFHYIECY-OLZOCXBDSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@H](C)c1ccccc1 ZINC000285541046 387271163 /nfs/dbraw/zinc/27/11/63/387271163.db2.gz HRBIWFXFHYIECY-QWHCGFSZSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCF ZINC000285541054 387270401 /nfs/dbraw/zinc/27/04/01/387270401.db2.gz HRBIWFXFHYIECY-STQMWFEESA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1ccccn1 ZINC000285563613 387579122 /nfs/dbraw/zinc/57/91/22/387579122.db2.gz GBZGYMCWXRETNW-GFCCVEGCSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1ccccn1 ZINC000285563615 387579678 /nfs/dbraw/zinc/57/96/78/387579678.db2.gz GBZGYMCWXRETNW-LBPRGKRZSA-N 1 0 244.382 3.701 20 0 BHADRO CCOC1CC(C[NH2+][C@H](CC)c2ccccc2)C1 ZINC000285579977 170326213 /nfs/dbraw/zinc/32/62/13/170326213.db2.gz KFMJAVSOYKIZQI-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC1CC(C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC000285579981 170326073 /nfs/dbraw/zinc/32/60/73/170326073.db2.gz KFMJAVSOYKIZQI-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1ccncc1 ZINC000285598947 385947334 /nfs/dbraw/zinc/94/73/34/385947334.db2.gz IJCKTMGRNHGKSG-GFCCVEGCSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1ccncc1 ZINC000285598950 385945770 /nfs/dbraw/zinc/94/57/70/385945770.db2.gz IJCKTMGRNHGKSG-LBPRGKRZSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1cc(F)ccc1F ZINC000285617222 385950398 /nfs/dbraw/zinc/95/03/98/385950398.db2.gz MNNTWDGYGPZAHO-CYBMUJFWSA-N 1 0 245.288 3.755 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1cc(F)ccc1F ZINC000285617231 385948983 /nfs/dbraw/zinc/94/89/83/385948983.db2.gz MNNTWDGYGPZAHO-ZDUSSCGKSA-N 1 0 245.288 3.755 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C2CCCCCC2)c1 ZINC000285645116 398079072 /nfs/dbraw/zinc/07/90/72/398079072.db2.gz LZXQAGGVINEHBG-CYBMUJFWSA-N 1 0 232.371 3.763 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2CCCCCC2)c1 ZINC000285645117 179467195 /nfs/dbraw/zinc/46/71/95/179467195.db2.gz LZXQAGGVINEHBG-ZDUSSCGKSA-N 1 0 232.371 3.763 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cc2ccccc2o1 ZINC000285649138 387276373 /nfs/dbraw/zinc/27/63/73/387276373.db2.gz OJTIIXUYRGOGNV-LLVKDONJSA-N 1 0 235.302 3.833 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000285656576 398079680 /nfs/dbraw/zinc/07/96/80/398079680.db2.gz MOZJXNDAJKEXOJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000285656578 188034499 /nfs/dbraw/zinc/03/44/99/188034499.db2.gz MOZJXNDAJKEXOJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCCF)c(C)s1 ZINC000285691993 178246463 /nfs/dbraw/zinc/24/64/63/178246463.db2.gz RCJFWEVSGWXFGZ-JTQLQIEISA-N 1 0 229.364 3.765 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCF)c(C)s1 ZINC000285691995 178223792 /nfs/dbraw/zinc/22/37/92/178223792.db2.gz RCJFWEVSGWXFGZ-SNVBAGLBSA-N 1 0 229.364 3.765 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cccc(Cl)c1 ZINC000285704440 387281673 /nfs/dbraw/zinc/28/16/73/387281673.db2.gz RVVUDGXJPRJMGG-JTQLQIEISA-N 1 0 229.726 3.740 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cccc(Cl)c1 ZINC000285704445 387281037 /nfs/dbraw/zinc/28/10/37/387281037.db2.gz RVVUDGXJPRJMGG-SNVBAGLBSA-N 1 0 229.726 3.740 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cc(C)ccn2)c1 ZINC000285712527 179096825 /nfs/dbraw/zinc/09/68/25/179096825.db2.gz PPPAZCHXKDYTML-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cc(C)ccn2)c1 ZINC000285712530 179099600 /nfs/dbraw/zinc/09/96/00/179099600.db2.gz PPPAZCHXKDYTML-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1cccnc1 ZINC000285736093 385960749 /nfs/dbraw/zinc/96/07/49/385960749.db2.gz QZTACQKACZBNJY-GFCCVEGCSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1cccnc1 ZINC000285736097 386490106 /nfs/dbraw/zinc/49/01/06/386490106.db2.gz QZTACQKACZBNJY-LBPRGKRZSA-N 1 0 244.382 3.701 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285751440 387283936 /nfs/dbraw/zinc/28/39/36/387283936.db2.gz RPNAKZVIIYHXPB-CYBMUJFWSA-N 1 0 220.360 3.621 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285751445 387283003 /nfs/dbraw/zinc/28/30/03/387283003.db2.gz RPNAKZVIIYHXPB-ZDUSSCGKSA-N 1 0 220.360 3.621 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccn2)cc1 ZINC000285769378 178623142 /nfs/dbraw/zinc/62/31/42/178623142.db2.gz SSAWADGHVXIGQU-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccn2)cc1 ZINC000285769381 385963852 /nfs/dbraw/zinc/96/38/52/385963852.db2.gz SSAWADGHVXIGQU-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCc3ccccc32)cs1 ZINC000285770514 178035561 /nfs/dbraw/zinc/03/55/61/178035561.db2.gz DYRGRHBWUJXUHS-OAHLLOKOSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1ccc(C[NH2+]Cc2csc(C)c2)s1 ZINC000285777865 178027381 /nfs/dbraw/zinc/02/73/81/178027381.db2.gz FLNGORMWLQBQQC-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000285839852 385967779 /nfs/dbraw/zinc/96/77/79/385967779.db2.gz XJBBXUORJVAAGO-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000285839855 179467175 /nfs/dbraw/zinc/46/71/75/179467175.db2.gz XJBBXUORJVAAGO-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cc(C[NH2+]Cc2sccc2C)cs1 ZINC000285843476 178029643 /nfs/dbraw/zinc/02/96/43/178029643.db2.gz JHQZQYQPTZYAOJ-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccccc2C)cs1 ZINC000285869764 178026365 /nfs/dbraw/zinc/02/63/65/178026365.db2.gz KUVHTWBFDZFBDH-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccn2)s1 ZINC000285872656 385972904 /nfs/dbraw/zinc/97/29/04/385972904.db2.gz ZAUJHLGOESBFET-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccn2)s1 ZINC000285872662 385971534 /nfs/dbraw/zinc/97/15/34/385971534.db2.gz ZAUJHLGOESBFET-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000285876833 179465483 /nfs/dbraw/zinc/46/54/83/179465483.db2.gz ZFLJTADBLFTPDV-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000285876839 385971749 /nfs/dbraw/zinc/97/17/49/385971749.db2.gz ZFLJTADBLFTPDV-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)CCCCF ZINC000285883975 177041469 /nfs/dbraw/zinc/04/14/69/177041469.db2.gz FUICZBZXUOFDLR-LLVKDONJSA-N 1 0 227.298 3.568 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)CCCCF ZINC000285883984 176024629 /nfs/dbraw/zinc/02/46/29/176024629.db2.gz FUICZBZXUOFDLR-NSHDSACASA-N 1 0 227.298 3.568 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285914488 385978273 /nfs/dbraw/zinc/97/82/73/385978273.db2.gz DKXZTHYIAQCUFU-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285914491 385978734 /nfs/dbraw/zinc/97/87/34/385978734.db2.gz DKXZTHYIAQCUFU-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000285914565 385978587 /nfs/dbraw/zinc/97/85/87/385978587.db2.gz HPKSIHIDXMPEJW-GFCCVEGCSA-N 1 0 227.348 3.635 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000285914574 385978094 /nfs/dbraw/zinc/97/80/94/385978094.db2.gz HPKSIHIDXMPEJW-LBPRGKRZSA-N 1 0 227.348 3.635 20 0 BHADRO FCCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000285954957 385980774 /nfs/dbraw/zinc/98/07/74/385980774.db2.gz KGSPCVAASTWMDE-UHFFFAOYSA-N 1 0 239.334 3.774 20 0 BHADRO Cc1ccnc([C@@H](C)Nc2cc(C)cc(C)[nH+]2)c1 ZINC000285974937 385983148 /nfs/dbraw/zinc/98/31/48/385983148.db2.gz GFTZAKXPDYBSPV-CYBMUJFWSA-N 1 0 241.338 3.575 20 0 BHADRO Cc1ccnc([C@H](C)Nc2cc(C)cc(C)[nH+]2)c1 ZINC000285974941 385982965 /nfs/dbraw/zinc/98/29/65/385982965.db2.gz GFTZAKXPDYBSPV-ZDUSSCGKSA-N 1 0 241.338 3.575 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(C)ccn2)CCC1 ZINC000286032097 385988515 /nfs/dbraw/zinc/98/85/15/385988515.db2.gz KFHIUYYUKBGLJN-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(C)ccn2)CCC1 ZINC000286032101 385987970 /nfs/dbraw/zinc/98/79/70/385987970.db2.gz KFHIUYYUKBGLJN-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286041387 169380038 /nfs/dbraw/zinc/38/00/38/169380038.db2.gz KNYXSSHFQRVJCN-CHWSQXEVSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286041389 200811514 /nfs/dbraw/zinc/81/15/14/200811514.db2.gz KNYXSSHFQRVJCN-OLZOCXBDSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286041392 169379700 /nfs/dbraw/zinc/37/97/00/169379700.db2.gz KNYXSSHFQRVJCN-QWHCGFSZSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286041395 387309291 /nfs/dbraw/zinc/30/92/91/387309291.db2.gz KNYXSSHFQRVJCN-STQMWFEESA-N 1 0 220.360 3.619 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2)cs1 ZINC000286053082 178038868 /nfs/dbraw/zinc/03/88/68/178038868.db2.gz XCRSXORMSNFICR-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2)cs1 ZINC000286053088 178031871 /nfs/dbraw/zinc/03/18/71/178031871.db2.gz XCRSXORMSNFICR-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000286054638 385992196 /nfs/dbraw/zinc/99/21/96/385992196.db2.gz KJPZDQQZOVQAKP-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000286054640 385992369 /nfs/dbraw/zinc/99/23/69/385992369.db2.gz KJPZDQQZOVQAKP-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)cc2)cs1 ZINC000286055684 387312319 /nfs/dbraw/zinc/31/23/19/387312319.db2.gz XJFKIIFAEALLQM-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(C)c1 ZINC000286071169 387310954 /nfs/dbraw/zinc/31/09/54/387310954.db2.gz LBDDSEBALAGXQC-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(C)c1 ZINC000286071170 387311295 /nfs/dbraw/zinc/31/12/95/387311295.db2.gz LBDDSEBALAGXQC-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(C)c1 ZINC000286071172 359350368 /nfs/dbraw/zinc/35/03/68/359350368.db2.gz LBDDSEBALAGXQC-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(C)c1 ZINC000286071174 359350378 /nfs/dbraw/zinc/35/03/78/359350378.db2.gz LBDDSEBALAGXQC-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000286084858 385993511 /nfs/dbraw/zinc/99/35/11/385993511.db2.gz MMJMQFJRORIXTI-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000286084861 179466298 /nfs/dbraw/zinc/46/62/98/179466298.db2.gz MMJMQFJRORIXTI-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000286098198 385997112 /nfs/dbraw/zinc/99/71/12/385997112.db2.gz NDEBHXKNHMSJLX-GXTWGEPZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000286098201 385996353 /nfs/dbraw/zinc/99/63/53/385996353.db2.gz NDEBHXKNHMSJLX-JSGCOSHPSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000286098205 385996734 /nfs/dbraw/zinc/99/67/34/385996734.db2.gz NDEBHXKNHMSJLX-OCCSQVGLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000286098210 187519692 /nfs/dbraw/zinc/51/96/92/187519692.db2.gz NDEBHXKNHMSJLX-TZMCWYRMSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CCC2=CCCC2)c1 ZINC000286140024 385999120 /nfs/dbraw/zinc/99/91/20/385999120.db2.gz OJHHJJPOWWUBGH-CYBMUJFWSA-N 1 0 230.355 3.541 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CCC2=CCCC2)c1 ZINC000286140028 386001157 /nfs/dbraw/zinc/00/11/57/386001157.db2.gz OJHHJJPOWWUBGH-ZDUSSCGKSA-N 1 0 230.355 3.541 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)no1)c1cccc(C)c1 ZINC000286159753 171529153 /nfs/dbraw/zinc/52/91/53/171529153.db2.gz PTZQXVRKIJCHLQ-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)no1)c1cccc(C)c1 ZINC000286159757 359352249 /nfs/dbraw/zinc/35/22/49/359352249.db2.gz PTZQXVRKIJCHLQ-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(C)c1 ZINC000286195812 386005359 /nfs/dbraw/zinc/00/53/59/386005359.db2.gz RMJCYPJWLAUCBT-INIZCTEOSA-N 1 0 242.366 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000286227760 171541143 /nfs/dbraw/zinc/54/11/43/171541143.db2.gz SQQXGPIEZGGBIK-BMFZPTHFSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000286227766 387324490 /nfs/dbraw/zinc/32/44/90/387324490.db2.gz SQQXGPIEZGGBIK-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000286227771 387323646 /nfs/dbraw/zinc/32/36/46/387323646.db2.gz SQQXGPIEZGGBIK-IMJJTQAJSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000286227774 387324263 /nfs/dbraw/zinc/32/42/63/387324263.db2.gz SQQXGPIEZGGBIK-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(Cl)cc1 ZINC000286232311 176843255 /nfs/dbraw/zinc/84/32/55/176843255.db2.gz BZRPMWAWSFJQHL-JTQLQIEISA-N 1 0 229.726 3.740 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(Cl)cc1 ZINC000286232320 387319648 /nfs/dbraw/zinc/31/96/48/387319648.db2.gz BZRPMWAWSFJQHL-SNVBAGLBSA-N 1 0 229.726 3.740 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000286251119 386014015 /nfs/dbraw/zinc/01/40/15/386014015.db2.gz UOEYPZOMIFLOLC-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO 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Cc1ccncc1CCC[NH2+]C1(C)CCCCC1 ZINC000289035883 386253606 /nfs/dbraw/zinc/25/36/06/386253606.db2.gz AGJOYRGXACMROY-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO Cc1ccncc1CCC[NH2+]C1CCCCCC1 ZINC000289062949 386257028 /nfs/dbraw/zinc/25/70/28/386257028.db2.gz CAASRNPXHJEPSL-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO CC[N@H+](CCCc1cnccc1C)C1CCCC1 ZINC000289096809 386259780 /nfs/dbraw/zinc/25/97/80/386259780.db2.gz LTLCWIZLLSEEFV-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO COCCCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289140992 174184700 /nfs/dbraw/zinc/18/47/00/174184700.db2.gz FQEYPGAAZNFUAN-BBRMVZONSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289140993 174184643 /nfs/dbraw/zinc/18/46/43/174184643.db2.gz FQEYPGAAZNFUAN-CJNGLKHVSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289140996 174184774 /nfs/dbraw/zinc/18/47/74/174184774.db2.gz FQEYPGAAZNFUAN-CZUORRHYSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289140998 174184894 /nfs/dbraw/zinc/18/48/94/174184894.db2.gz FQEYPGAAZNFUAN-XJKSGUPXSA-N 1 0 247.382 3.641 20 0 BHADRO CSC1(C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000289229753 386274269 /nfs/dbraw/zinc/27/42/69/386274269.db2.gz YJRFYLPNZRTKMA-JTQLQIEISA-N 1 0 241.425 3.637 20 0 BHADRO CSC1(C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000289229758 386274172 /nfs/dbraw/zinc/27/41/72/386274172.db2.gz YJRFYLPNZRTKMA-SNVBAGLBSA-N 1 0 241.425 3.637 20 0 BHADRO CCOCCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289284644 170370170 /nfs/dbraw/zinc/37/01/70/170370170.db2.gz QMSHZCGKGYZVEU-BBRMVZONSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289284646 170371264 /nfs/dbraw/zinc/37/12/64/170371264.db2.gz QMSHZCGKGYZVEU-CJNGLKHVSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289284648 170369196 /nfs/dbraw/zinc/36/91/96/170369196.db2.gz QMSHZCGKGYZVEU-CZUORRHYSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289284650 170369133 /nfs/dbraw/zinc/36/91/33/170369133.db2.gz QMSHZCGKGYZVEU-XJKSGUPXSA-N 1 0 247.382 3.641 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000289343016 168198981 /nfs/dbraw/zinc/19/89/81/168198981.db2.gz MBDNIBRWWCKHPH-INIZCTEOSA-N 1 0 245.366 3.583 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000289343023 168197964 /nfs/dbraw/zinc/19/79/64/168197964.db2.gz MBDNIBRWWCKHPH-MRXNPFEDSA-N 1 0 245.366 3.583 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccc(F)c2ccccc21 ZINC000289534322 386323046 /nfs/dbraw/zinc/32/30/46/386323046.db2.gz WINVDMBQMSFOCL-JTQLQIEISA-N 1 0 235.277 3.599 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccc(F)c2ccccc21 ZINC000289534325 386324111 /nfs/dbraw/zinc/32/41/11/386324111.db2.gz WINVDMBQMSFOCL-SNVBAGLBSA-N 1 0 235.277 3.599 20 0 BHADRO c1coc(C2=CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC000289605340 188036329 /nfs/dbraw/zinc/03/63/29/188036329.db2.gz VKZLXBZFAJXAOO-UHFFFAOYSA-N 1 0 245.347 3.630 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2=CCCCC2)no1 ZINC000289610627 178225392 /nfs/dbraw/zinc/22/53/92/178225392.db2.gz GIRXFLBFTSSCCG-GFCCVEGCSA-N 1 0 234.343 3.524 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2=CCCCC2)no1 ZINC000289610629 178246387 /nfs/dbraw/zinc/24/63/87/178246387.db2.gz GIRXFLBFTSSCCG-LBPRGKRZSA-N 1 0 234.343 3.524 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289617676 167013655 /nfs/dbraw/zinc/01/36/55/167013655.db2.gz GPWBQVIOQXRUHX-GFCCVEGCSA-N 1 0 228.339 3.541 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289617678 167012710 /nfs/dbraw/zinc/01/27/10/167012710.db2.gz GPWBQVIOQXRUHX-LBPRGKRZSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1nccc2ccccc21 ZINC000289735076 386346479 /nfs/dbraw/zinc/34/64/79/386346479.db2.gz LWBOBMMZDVTBNY-GFCCVEGCSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1nccc2ccccc21 ZINC000289735078 386347465 /nfs/dbraw/zinc/34/74/65/386347465.db2.gz LWBOBMMZDVTBNY-LBPRGKRZSA-N 1 0 242.366 3.932 20 0 BHADRO CCCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289737586 386349343 /nfs/dbraw/zinc/34/93/43/386349343.db2.gz LXVMHILFCWNZPC-GFCCVEGCSA-N 1 0 228.339 3.686 20 0 BHADRO CCCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289737587 386350452 /nfs/dbraw/zinc/35/04/52/386350452.db2.gz LXVMHILFCWNZPC-LBPRGKRZSA-N 1 0 228.339 3.686 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289802750 176020719 /nfs/dbraw/zinc/02/07/19/176020719.db2.gz MZWKWBQBUCNVDF-NEPJUHHUSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289802753 177274772 /nfs/dbraw/zinc/27/47/72/177274772.db2.gz MZWKWBQBUCNVDF-NWDGAFQWSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289802755 176021001 /nfs/dbraw/zinc/02/10/01/176021001.db2.gz MZWKWBQBUCNVDF-RYUDHWBXSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289802759 177038635 /nfs/dbraw/zinc/03/86/35/177038635.db2.gz MZWKWBQBUCNVDF-VXGBXAGGSA-N 1 0 239.309 3.725 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)ccn1 ZINC000289821884 188211006 /nfs/dbraw/zinc/21/10/06/188211006.db2.gz OEOPBSOWUBEPSN-GDBMZVCRSA-N 1 0 242.366 3.575 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)ccn1 ZINC000289821888 386359822 /nfs/dbraw/zinc/35/98/22/386359822.db2.gz OEOPBSOWUBEPSN-GOEBONIOSA-N 1 0 242.366 3.575 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)ccn1 ZINC000289821891 188211156 /nfs/dbraw/zinc/21/11/56/188211156.db2.gz OEOPBSOWUBEPSN-HOCLYGCPSA-N 1 0 242.366 3.575 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)ccn1 ZINC000289821896 188036284 /nfs/dbraw/zinc/03/62/84/188036284.db2.gz OEOPBSOWUBEPSN-ZBFHGGJFSA-N 1 0 242.366 3.575 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289858216 386363985 /nfs/dbraw/zinc/36/39/85/386363985.db2.gz QKAUPBGWVKBDHS-DZGCQCFKSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289858221 169357858 /nfs/dbraw/zinc/35/78/58/169357858.db2.gz QKAUPBGWVKBDHS-HIFRSBDPSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289858224 169358338 /nfs/dbraw/zinc/35/83/38/169358338.db2.gz QKAUPBGWVKBDHS-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289858227 386365332 /nfs/dbraw/zinc/36/53/32/386365332.db2.gz QKAUPBGWVKBDHS-ZFWWWQNUSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1nccc2ccccc21)C1CC1 ZINC000289863664 386364815 /nfs/dbraw/zinc/36/48/15/386364815.db2.gz RSEUGOJZDNSKDC-NEPJUHHUSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1nccc2ccccc21 ZINC000289863667 386365430 /nfs/dbraw/zinc/36/54/30/386365430.db2.gz RSEUGOJZDNSKDC-NWDGAFQWSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1nccc2ccccc21 ZINC000289863669 386364398 /nfs/dbraw/zinc/36/43/98/386364398.db2.gz RSEUGOJZDNSKDC-RYUDHWBXSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1nccc2ccccc21 ZINC000289863672 386363720 /nfs/dbraw/zinc/36/37/20/386363720.db2.gz RSEUGOJZDNSKDC-VXGBXAGGSA-N 1 0 240.350 3.684 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289868681 386366144 /nfs/dbraw/zinc/36/61/44/386366144.db2.gz SBAQQNXWUWRVOU-NEPJUHHUSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289868685 171348226 /nfs/dbraw/zinc/34/82/26/171348226.db2.gz SBAQQNXWUWRVOU-NWDGAFQWSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289868687 171346596 /nfs/dbraw/zinc/34/65/96/171346596.db2.gz SBAQQNXWUWRVOU-RYUDHWBXSA-N 1 0 228.339 3.684 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289868691 386365247 /nfs/dbraw/zinc/36/52/47/386365247.db2.gz SBAQQNXWUWRVOU-VXGBXAGGSA-N 1 0 228.339 3.684 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000290011229 386381965 /nfs/dbraw/zinc/38/19/65/386381965.db2.gz ZMQZIAUEBAKKFP-CYBMUJFWSA-N 1 0 242.366 3.932 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000290011231 386383420 /nfs/dbraw/zinc/38/34/20/386383420.db2.gz ZMQZIAUEBAKKFP-ZDUSSCGKSA-N 1 0 242.366 3.932 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000290035694 187348698 /nfs/dbraw/zinc/34/86/98/187348698.db2.gz BDQCEAYOMFZQOW-ZDUSSCGKSA-N 1 0 240.350 3.852 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1csc(Cl)n1 ZINC000290058011 168317573 /nfs/dbraw/zinc/31/75/73/168317573.db2.gz PDAHZJKFOSKDMG-UHFFFAOYSA-N 1 0 246.807 3.855 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCCSC1)c1ccccc1 ZINC000290095774 386587231 /nfs/dbraw/zinc/58/72/31/386587231.db2.gz HLBOTKDPMPGWNN-KBPBESRZSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCSC1)c1ccccc1 ZINC000290095775 386587686 /nfs/dbraw/zinc/58/76/86/386587686.db2.gz HLBOTKDPMPGWNN-KGLIPLIRSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCCSC1)c1ccccc1 ZINC000290095777 386585772 /nfs/dbraw/zinc/58/57/72/386585772.db2.gz HLBOTKDPMPGWNN-UONOGXRCSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCSC1)c1ccccc1 ZINC000290097901 386585827 /nfs/dbraw/zinc/58/58/27/386585827.db2.gz HLBOTKDPMPGWNN-ZIAGYGMSSA-N 1 0 249.423 3.523 20 0 BHADRO C[N@H+](Cc1ccsc1)C1CCC(F)(F)CC1 ZINC000290124078 386396141 /nfs/dbraw/zinc/39/61/41/386396141.db2.gz JBYXMBMVSUMBIK-UHFFFAOYSA-N 1 0 245.338 3.758 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)o1 ZINC000290200746 386407160 /nfs/dbraw/zinc/40/71/60/386407160.db2.gz POGLFFLZSYWQHY-UHFFFAOYSA-N 1 0 243.297 3.598 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000290229715 386409780 /nfs/dbraw/zinc/40/97/80/386409780.db2.gz STSXXSISVYNRAE-UHFFFAOYSA-N 1 0 243.297 3.598 20 0 BHADRO C[C@H](CF)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000290238154 388768068 /nfs/dbraw/zinc/76/80/68/388768068.db2.gz UJKYDJQBSCLYEB-CBZQXFMTSA-N 1 0 241.737 3.534 20 0 BHADRO C[C@@H](CF)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000290238158 175693485 /nfs/dbraw/zinc/69/34/85/175693485.db2.gz UJKYDJQBSCLYEB-FJJSSXBZSA-N 1 0 241.737 3.534 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)c2ccccc21 ZINC000290249514 386412739 /nfs/dbraw/zinc/41/27/39/386412739.db2.gz JUVNENUQVMGYIF-NOZJJQNGSA-N 1 0 237.293 3.622 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)c2ccccc21 ZINC000290249516 386412444 /nfs/dbraw/zinc/41/24/44/386412444.db2.gz JUVNENUQVMGYIF-RNCFNFMXSA-N 1 0 237.293 3.622 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)c2ccccc21 ZINC000290249518 177330589 /nfs/dbraw/zinc/33/05/89/177330589.db2.gz JUVNENUQVMGYIF-TVQRCGJNSA-N 1 0 237.293 3.622 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)c2ccccc21 ZINC000290249520 177368808 /nfs/dbraw/zinc/36/88/08/177368808.db2.gz JUVNENUQVMGYIF-ZANVPECISA-N 1 0 237.293 3.622 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)OC ZINC000290277176 384490704 /nfs/dbraw/zinc/49/07/04/384490704.db2.gz WUBSJOVPBCSYOD-AAEUAGOBSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)OC ZINC000290277178 384490397 /nfs/dbraw/zinc/49/03/97/384490397.db2.gz WUBSJOVPBCSYOD-DGCLKSJQSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)OC ZINC000290277181 384491761 /nfs/dbraw/zinc/49/17/61/384491761.db2.gz WUBSJOVPBCSYOD-WCQYABFASA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1cc2ccccc2o1)OC ZINC000290277184 384489994 /nfs/dbraw/zinc/48/99/94/384489994.db2.gz WUBSJOVPBCSYOD-YPMHNXCESA-N 1 0 247.338 3.508 20 0 BHADRO C[C@@H](CF)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000290284850 175693729 /nfs/dbraw/zinc/69/37/29/175693729.db2.gz ZMEAKCGNMVUIKF-GRTSSRMGSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CF)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000290284859 386415445 /nfs/dbraw/zinc/41/54/45/386415445.db2.gz ZMEAKCGNMVUIKF-LRVUVFPRSA-N 1 0 235.346 3.660 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccsc1 ZINC000290287493 383936233 /nfs/dbraw/zinc/93/62/33/383936233.db2.gz XTHYUPUQZQWZSS-MDZLAQPJSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccsc1 ZINC000290287496 383936192 /nfs/dbraw/zinc/93/61/92/383936192.db2.gz XTHYUPUQZQWZSS-NQBHXWOUSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccsc1 ZINC000290287497 383936525 /nfs/dbraw/zinc/93/65/25/383936525.db2.gz XTHYUPUQZQWZSS-NTZNESFSSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccsc1 ZINC000290287499 383935361 /nfs/dbraw/zinc/93/53/61/383935361.db2.gz XTHYUPUQZQWZSS-WZRBSPASSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccsc1 ZINC000290328703 352220496 /nfs/dbraw/zinc/22/04/96/352220496.db2.gz DMGYVGYQDMAQDG-AWEZNQCLSA-N 1 0 246.379 3.726 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccsc1 ZINC000290328705 487751106 /nfs/dbraw/zinc/75/11/06/487751106.db2.gz DMGYVGYQDMAQDG-CQSZACIVSA-N 1 0 246.379 3.726 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)[C@H](C)c1cccnc1 ZINC000290330269 352221374 /nfs/dbraw/zinc/22/13/74/352221374.db2.gz DPTLPFLIWNAJTN-CYBMUJFWSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)[C@@H](C)c1cccnc1 ZINC000290330272 352221067 /nfs/dbraw/zinc/22/10/67/352221067.db2.gz DPTLPFLIWNAJTN-ZDUSSCGKSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1ccnc(Cl)c1Cl)C(C)C ZINC000290360059 352221987 /nfs/dbraw/zinc/22/19/87/352221987.db2.gz GQCUVTRDRNGOPN-UHFFFAOYSA-N 1 0 247.169 3.619 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1occc1C ZINC000290367997 352221848 /nfs/dbraw/zinc/22/18/48/352221848.db2.gz HFTGGDGCYURELF-AWEZNQCLSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1occc1C ZINC000290368007 386426169 /nfs/dbraw/zinc/42/61/69/386426169.db2.gz HFTGGDGCYURELF-CQSZACIVSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C)o1 ZINC000290421498 352223864 /nfs/dbraw/zinc/22/38/64/352223864.db2.gz KSLYHFUAVIMMNY-HNNXBMFYSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C)o1 ZINC000290421500 386431880 /nfs/dbraw/zinc/43/18/80/386431880.db2.gz KSLYHFUAVIMMNY-OAHLLOKOSA-N 1 0 244.338 3.566 20 0 BHADRO CCC[N@H+](CC)Cc1ccnc(Cl)c1Cl ZINC000290475304 169129679 /nfs/dbraw/zinc/12/96/79/169129679.db2.gz QMAQEXAHJRPPQE-UHFFFAOYSA-N 1 0 247.169 3.620 20 0 BHADRO CSC1(C[N@H+](C)[C@H](C)c2ccco2)CCC1 ZINC000290521831 386447444 /nfs/dbraw/zinc/44/74/44/386447444.db2.gz USDWCVORUGYGTH-LLVKDONJSA-N 1 0 239.384 3.558 20 0 BHADRO CSC1(C[N@H+](C)[C@@H](C)c2ccco2)CCC1 ZINC000290521833 386445238 /nfs/dbraw/zinc/44/52/38/386445238.db2.gz USDWCVORUGYGTH-NSHDSACASA-N 1 0 239.384 3.558 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000290613121 386459622 /nfs/dbraw/zinc/45/96/22/386459622.db2.gz WRZIYHAGCUNWRB-GDBMZVCRSA-N 1 0 244.382 3.821 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000290613122 171600425 /nfs/dbraw/zinc/60/04/25/171600425.db2.gz WRZIYHAGCUNWRB-GOEBONIOSA-N 1 0 244.382 3.821 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000290613125 352232100 /nfs/dbraw/zinc/23/21/00/352232100.db2.gz WRZIYHAGCUNWRB-HOCLYGCPSA-N 1 0 244.382 3.821 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000290613127 352232157 /nfs/dbraw/zinc/23/21/57/352232157.db2.gz WRZIYHAGCUNWRB-ZBFHGGJFSA-N 1 0 244.382 3.821 20 0 BHADRO CC[N@H+](C[C@H]1CC=CCC1)[C@H](C)c1cccnc1 ZINC000290618674 386458090 /nfs/dbraw/zinc/45/80/90/386458090.db2.gz XAVOGTYUEYBNHS-CABCVRRESA-N 1 0 244.382 3.821 20 0 BHADRO CC[N@H+](C[C@H]1CC=CCC1)[C@@H](C)c1cccnc1 ZINC000290618677 386459994 /nfs/dbraw/zinc/45/99/94/386459994.db2.gz XAVOGTYUEYBNHS-GJZGRUSLSA-N 1 0 244.382 3.821 20 0 BHADRO CC[N@H+](C[C@@H]1CC=CCC1)[C@H](C)c1cccnc1 ZINC000290618680 386459883 /nfs/dbraw/zinc/45/98/83/386459883.db2.gz XAVOGTYUEYBNHS-HUUCEWRRSA-N 1 0 244.382 3.821 20 0 BHADRO CC[N@H+](C[C@@H]1CC=CCC1)[C@@H](C)c1cccnc1 ZINC000290618681 386460297 /nfs/dbraw/zinc/46/02/97/386460297.db2.gz XAVOGTYUEYBNHS-LSDHHAIUSA-N 1 0 244.382 3.821 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@H](C)c1cccnc1 ZINC000290649987 352233209 /nfs/dbraw/zinc/23/32/09/352233209.db2.gz ZBLWDDKQBBGYSH-CYBMUJFWSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@@H](C)c1cccnc1 ZINC000290650000 352233347 /nfs/dbraw/zinc/23/33/47/352233347.db2.gz ZBLWDDKQBBGYSH-ZDUSSCGKSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1ccsc1)[C@H](C)c1cccnc1 ZINC000290659758 352234218 /nfs/dbraw/zinc/23/42/18/352234218.db2.gz ZOMTVRVNZBBOET-GFCCVEGCSA-N 1 0 246.379 3.726 20 0 BHADRO CC[N@H+](Cc1ccsc1)[C@@H](C)c1cccnc1 ZINC000290659760 352233775 /nfs/dbraw/zinc/23/37/75/352233775.db2.gz ZOMTVRVNZBBOET-LBPRGKRZSA-N 1 0 246.379 3.726 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723053 386470407 /nfs/dbraw/zinc/47/04/07/386470407.db2.gz OSXYQKOYKOBAFP-BXUZGUMPSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723055 386471224 /nfs/dbraw/zinc/47/12/24/386471224.db2.gz OSXYQKOYKOBAFP-FZMZJTMJSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723056 386469675 /nfs/dbraw/zinc/46/96/75/386469675.db2.gz OSXYQKOYKOBAFP-RISCZKNCSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723059 386469338 /nfs/dbraw/zinc/46/93/38/386469338.db2.gz OSXYQKOYKOBAFP-SMDDNHRTSA-N 1 0 240.350 3.684 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290781244 168298994 /nfs/dbraw/zinc/29/89/94/168298994.db2.gz CFKDBEHEGMALIQ-UHFFFAOYSA-N 1 0 247.169 3.667 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1nccc2ccccc21 ZINC000290788627 538946856 /nfs/dbraw/zinc/94/68/56/538946856.db2.gz UMXFXGQQPVRUDT-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1nccc2ccccc21 ZINC000290788630 538946932 /nfs/dbraw/zinc/94/69/32/538946932.db2.gz UMXFXGQQPVRUDT-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1nccc2ccccc21 ZINC000290793230 168146809 /nfs/dbraw/zinc/14/68/09/168146809.db2.gz UUWWSPOTCMMPCI-LXVYMNJGSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1nccc2ccccc21 ZINC000290793237 168148464 /nfs/dbraw/zinc/14/84/64/168148464.db2.gz UUWWSPOTCMMPCI-MBHSVXNSSA-N 1 0 240.350 3.684 20 0 BHADRO CCC(CC)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290884992 168389211 /nfs/dbraw/zinc/38/92/11/168389211.db2.gz MJZJXRZZNXQRJO-UHFFFAOYSA-N 1 0 247.169 3.667 20 0 BHADRO CC(C)CC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290902879 384947702 /nfs/dbraw/zinc/94/77/02/384947702.db2.gz OEDNAIVCKLCRHV-UHFFFAOYSA-N 1 0 247.169 3.524 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290910629 384948981 /nfs/dbraw/zinc/94/89/81/384948981.db2.gz PELSNGIYVKZEGT-UHFFFAOYSA-N 1 0 247.169 3.524 20 0 BHADRO c1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000291003693 183340760 /nfs/dbraw/zinc/34/07/60/183340760.db2.gz BBWNCCSIAOUOMW-CYBMUJFWSA-N 1 0 233.380 3.513 20 0 BHADRO c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000291003695 183339431 /nfs/dbraw/zinc/33/94/31/183339431.db2.gz BBWNCCSIAOUOMW-ZDUSSCGKSA-N 1 0 233.380 3.513 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCCCC23CCCC3)nc1 ZINC000291172867 388372998 /nfs/dbraw/zinc/37/29/98/388372998.db2.gz DWFOLKXDGRSKSM-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCCCC23CCCC3)nc1 ZINC000291172870 183404996 /nfs/dbraw/zinc/40/49/96/183404996.db2.gz DWFOLKXDGRSKSM-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO CC[N@H+](Cc1cnc(Cl)s1)CC(C)(C)C ZINC000291342289 346368623 /nfs/dbraw/zinc/36/86/23/346368623.db2.gz WXHSCWKJNBQKPO-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO c1cncc(C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000291356064 183495331 /nfs/dbraw/zinc/49/53/31/183495331.db2.gz XUPJIWONEQBVPF-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000291356067 385458958 /nfs/dbraw/zinc/45/89/58/385458958.db2.gz XUPJIWONEQBVPF-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCCC23CCCC3)ccn1 ZINC000291376898 183353826 /nfs/dbraw/zinc/35/38/26/183353826.db2.gz ZWJYWTRVZGOXPQ-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCCC23CCCC3)ccn1 ZINC000291376900 183351194 /nfs/dbraw/zinc/35/11/94/183351194.db2.gz ZWJYWTRVZGOXPQ-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)s1 ZINC000291497212 386553111 /nfs/dbraw/zinc/55/31/11/386553111.db2.gz HDGABEKYPBKIAE-SECBINFHSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)s1 ZINC000291497216 386552174 /nfs/dbraw/zinc/55/21/74/386552174.db2.gz HDGABEKYPBKIAE-VIFPVBQESA-N 1 0 245.338 3.534 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000291626575 386559857 /nfs/dbraw/zinc/55/98/57/386559857.db2.gz SAFJFESRFFDLBK-JTQLQIEISA-N 1 0 245.338 3.534 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000291626584 386561601 /nfs/dbraw/zinc/56/16/01/386561601.db2.gz SAFJFESRFFDLBK-SNVBAGLBSA-N 1 0 245.338 3.534 20 0 BHADRO c1csc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291629464 386561213 /nfs/dbraw/zinc/56/12/13/386561213.db2.gz SHEZYFCECNAOLW-CYBMUJFWSA-N 1 0 233.380 3.513 20 0 BHADRO c1csc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291629465 386559824 /nfs/dbraw/zinc/55/98/24/386559824.db2.gz SHEZYFCECNAOLW-ZDUSSCGKSA-N 1 0 233.380 3.513 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(Cl)cc1C ZINC000291748394 178066484 /nfs/dbraw/zinc/06/64/84/178066484.db2.gz PURSIHXGQYXSLG-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1cc(Cl)cs1 ZINC000291758226 385971014 /nfs/dbraw/zinc/97/10/14/385971014.db2.gz QZJSLZDFKHYTLN-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1)c1ccccc1F ZINC000291798527 187349528 /nfs/dbraw/zinc/34/95/28/187349528.db2.gz WZTFWVCZHZQJCR-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC(C)([NH2+]Cc1cccs1)c1ccccc1F ZINC000291806304 188390659 /nfs/dbraw/zinc/39/06/59/188390659.db2.gz XTWNEUIDXFVDCE-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO FC1(F)CC(CNc2cc[nH+]c3ccccc23)C1 ZINC000291952911 385946728 /nfs/dbraw/zinc/94/67/28/385946728.db2.gz UPOKLYYGXJTGOT-UHFFFAOYSA-N 1 0 248.276 3.692 20 0 BHADRO CC(C)[N@H+](Cc1ccno1)[C@H](C)c1ccccc1 ZINC000292113872 188212349 /nfs/dbraw/zinc/21/23/49/188212349.db2.gz HKOPDKFMXVACNI-CYBMUJFWSA-N 1 0 244.338 3.646 20 0 BHADRO CC(C)[N@H+](Cc1ccno1)[C@@H](C)c1ccccc1 ZINC000292113873 386621394 /nfs/dbraw/zinc/62/13/94/386621394.db2.gz HKOPDKFMXVACNI-ZDUSSCGKSA-N 1 0 244.338 3.646 20 0 BHADRO Cc1ccoc1C[N@H+](C)CCCCC(F)(F)F ZINC000292133153 386623297 /nfs/dbraw/zinc/62/32/97/386623297.db2.gz IPSOMZMWCJDACZ-UHFFFAOYSA-N 1 0 249.276 3.752 20 0 BHADRO COCCCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000292208663 174187807 /nfs/dbraw/zinc/18/78/07/174187807.db2.gz OFTWMTAYMFBTFS-HNNXBMFYSA-N 1 0 249.398 3.885 20 0 BHADRO COCCCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000292208667 174188779 /nfs/dbraw/zinc/18/87/79/174188779.db2.gz OFTWMTAYMFBTFS-OAHLLOKOSA-N 1 0 249.398 3.885 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000292333311 386652205 /nfs/dbraw/zinc/65/22/05/386652205.db2.gz GGFMEWANIKKVRJ-AWEZNQCLSA-N 1 0 240.350 3.528 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000292333317 171024157 /nfs/dbraw/zinc/02/41/57/171024157.db2.gz GGFMEWANIKKVRJ-CQSZACIVSA-N 1 0 240.350 3.528 20 0 BHADRO c1csc(C[NH+](C2CCC2)C2CCC2)c1 ZINC000292345382 386653615 /nfs/dbraw/zinc/65/36/15/386653615.db2.gz GZVQTWUYJAWCPZ-UHFFFAOYSA-N 1 0 221.369 3.655 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2cccc(O)c2)cs1 ZINC000292545129 178039119 /nfs/dbraw/zinc/03/91/19/178039119.db2.gz AJDUMKIUBGIXGU-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)cs1 ZINC000292545132 178030928 /nfs/dbraw/zinc/03/09/28/178030928.db2.gz AJDUMKIUBGIXGU-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO Cc1nc(C(C)C)ccc1CSc1ncco1 ZINC000292582433 386694230 /nfs/dbraw/zinc/69/42/30/386694230.db2.gz GCPBBFHARBNHHP-UHFFFAOYSA-N 1 0 248.351 3.794 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000292681889 171279102 /nfs/dbraw/zinc/27/91/02/171279102.db2.gz ASCAPRVQMKHTBR-GXTWGEPZSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292681892 171279716 /nfs/dbraw/zinc/27/97/16/171279716.db2.gz ASCAPRVQMKHTBR-JSGCOSHPSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292681893 386709610 /nfs/dbraw/zinc/70/96/10/386709610.db2.gz ASCAPRVQMKHTBR-OCCSQVGLSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000292681895 386710673 /nfs/dbraw/zinc/71/06/73/386710673.db2.gz ASCAPRVQMKHTBR-TZMCWYRMSA-N 1 0 232.371 3.511 20 0 BHADRO c1cc(C[NH+](C2CCC2)C2CCC2)cs1 ZINC000292695972 183337958 /nfs/dbraw/zinc/33/79/58/183337958.db2.gz BUFGIGRFRQTSKN-UHFFFAOYSA-N 1 0 221.369 3.655 20 0 BHADRO CC(C)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292767130 386721974 /nfs/dbraw/zinc/72/19/74/386721974.db2.gz JYHPXQLIXHTDAR-AWEZNQCLSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000292767134 386722198 /nfs/dbraw/zinc/72/21/98/386722198.db2.gz JYHPXQLIXHTDAR-CQSZACIVSA-N 1 0 232.371 3.511 20 0 BHADRO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000292781986 386725201 /nfs/dbraw/zinc/72/52/01/386725201.db2.gz UGNBSJZOLNCLLG-NNUKFRKNSA-N 1 0 233.330 3.604 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000292811465 398109174 /nfs/dbraw/zinc/10/91/74/398109174.db2.gz OTAVBEZUGMSFQS-HNNXBMFYSA-N 1 0 240.350 3.528 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000292811468 171024853 /nfs/dbraw/zinc/02/48/53/171024853.db2.gz OTAVBEZUGMSFQS-OAHLLOKOSA-N 1 0 240.350 3.528 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]Cc1cccs1 ZINC000292834771 388382673 /nfs/dbraw/zinc/38/26/73/388382673.db2.gz ZEUAOKWKIQQLCA-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000292834773 388383506 /nfs/dbraw/zinc/38/35/06/388383506.db2.gz ZEUAOKWKIQQLCA-SNVBAGLBSA-N 1 0 245.338 3.663 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1ccccc1C ZINC000292898854 179255179 /nfs/dbraw/zinc/25/51/79/179255179.db2.gz DNBBRVFPZMCBBP-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc3cccnc32)CC1 ZINC000292956984 388385633 /nfs/dbraw/zinc/38/56/33/388385633.db2.gz JCIINRJWJQTSHZ-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2C)o1 ZINC000292991883 386760551 /nfs/dbraw/zinc/76/05/51/386760551.db2.gz MHECPJOKVRYNFZ-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000292994943 386760051 /nfs/dbraw/zinc/76/00/51/386760051.db2.gz INONBMSIZBJVHD-GFCCVEGCSA-N 1 0 243.272 3.558 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000292994947 386761224 /nfs/dbraw/zinc/76/12/24/386761224.db2.gz INONBMSIZBJVHD-LBPRGKRZSA-N 1 0 243.272 3.558 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCC(F)(F)F ZINC000293010723 179253964 /nfs/dbraw/zinc/25/39/64/179253964.db2.gz PSCJSIHQQGRWGQ-UHFFFAOYSA-N 1 0 245.288 3.772 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccco1 ZINC000293016444 179255590 /nfs/dbraw/zinc/25/55/90/179255590.db2.gz OMZPXOPECMXJBQ-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO CC(C)C1([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000293052887 387851061 /nfs/dbraw/zinc/85/10/61/387851061.db2.gz RSJQXFYXCKEZMO-UHFFFAOYSA-N 1 0 246.379 3.575 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000293157795 387941908 /nfs/dbraw/zinc/94/19/08/387941908.db2.gz VLCQFMBACZDTSX-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CSCCCCC[NH2+]Cc1ccsc1C ZINC000293187599 175473868 /nfs/dbraw/zinc/47/38/68/175473868.db2.gz HTXRVBZNVFEBMN-UHFFFAOYSA-N 1 0 243.441 3.679 20 0 BHADRO CC(C)C1([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000293205020 386765482 /nfs/dbraw/zinc/76/54/82/386765482.db2.gz XXMLVQGEIRHKLG-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000293234942 179255230 /nfs/dbraw/zinc/25/52/30/179255230.db2.gz ZKHUSIGELKXDCF-CYBMUJFWSA-N 1 0 249.423 3.573 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000293234947 179254721 /nfs/dbraw/zinc/25/47/21/179254721.db2.gz ZKHUSIGELKXDCF-ZDUSSCGKSA-N 1 0 249.423 3.573 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)oc1C ZINC000293242364 178222753 /nfs/dbraw/zinc/22/27/53/178222753.db2.gz BIDUJNZLEMWSEC-SECBINFHSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC(F)(F)C2)oc1C ZINC000293242377 178247046 /nfs/dbraw/zinc/24/70/46/178247046.db2.gz BIDUJNZLEMWSEC-VIFPVBQESA-N 1 0 243.297 3.592 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000293275734 386791467 /nfs/dbraw/zinc/79/14/67/386791467.db2.gz NTGVKBPTZNVCNN-JTQLQIEISA-N 1 0 247.363 3.613 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000293275740 386793715 /nfs/dbraw/zinc/79/37/15/386793715.db2.gz NTGVKBPTZNVCNN-SNVBAGLBSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000293279441 386798414 /nfs/dbraw/zinc/79/84/14/386798414.db2.gz CSBMWOQGCSLITJ-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000293279453 179554565 /nfs/dbraw/zinc/55/45/65/179554565.db2.gz CSBMWOQGCSLITJ-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000293279884 179528565 /nfs/dbraw/zinc/52/85/65/179528565.db2.gz CUFLSVKEKYHHMI-CHWSQXEVSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000293279890 386796456 /nfs/dbraw/zinc/79/64/56/386796456.db2.gz CUFLSVKEKYHHMI-OLZOCXBDSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000293279898 386798197 /nfs/dbraw/zinc/79/81/97/386798197.db2.gz CUFLSVKEKYHHMI-QWHCGFSZSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000293279905 179530297 /nfs/dbraw/zinc/53/02/97/179530297.db2.gz CUFLSVKEKYHHMI-STQMWFEESA-N 1 0 239.334 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1occc1C)c1cccnc1 ZINC000293285468 386797678 /nfs/dbraw/zinc/79/76/78/386797678.db2.gz DDCWQUSEEVHVAA-AWEZNQCLSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1occc1C)c1cccnc1 ZINC000293285470 386797996 /nfs/dbraw/zinc/79/79/96/386797996.db2.gz DDCWQUSEEVHVAA-CQSZACIVSA-N 1 0 244.338 3.614 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000293301524 388388131 /nfs/dbraw/zinc/38/81/31/388388131.db2.gz PMNZWOGNYFPGGD-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000293301526 388387913 /nfs/dbraw/zinc/38/79/13/388387913.db2.gz PMNZWOGNYFPGGD-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293315619 179180804 /nfs/dbraw/zinc/18/08/04/179180804.db2.gz FIGBVMXPYXFLJO-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293315627 179194873 /nfs/dbraw/zinc/19/48/73/179194873.db2.gz FIGBVMXPYXFLJO-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000293380567 179319803 /nfs/dbraw/zinc/31/98/03/179319803.db2.gz IGZIIQOZEFSCNP-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000293380571 179337282 /nfs/dbraw/zinc/33/72/82/179337282.db2.gz IGZIIQOZEFSCNP-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO Clc1ccccc1[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC000293386250 388387942 /nfs/dbraw/zinc/38/79/42/388387942.db2.gz KFADYECRVZBHAI-HAQNSBGRSA-N 1 0 235.758 3.586 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccsc1C ZINC000293548771 388389521 /nfs/dbraw/zinc/38/95/21/388389521.db2.gz KVQYVVPRBIIJIV-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000293552986 386835834 /nfs/dbraw/zinc/83/58/34/386835834.db2.gz HGOULUJQOXGVLS-LLVKDONJSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000293552988 386836730 /nfs/dbraw/zinc/83/67/30/386836730.db2.gz HGOULUJQOXGVLS-NSHDSACASA-N 1 0 246.379 3.645 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccsc1C)c1ccncc1 ZINC000293569270 352355063 /nfs/dbraw/zinc/35/50/63/352355063.db2.gz MWCQYUVVMUYPDB-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO Cc1cccnc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000293570307 179384615 /nfs/dbraw/zinc/38/46/15/179384615.db2.gz DKYMKABJTSYKMX-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000293570310 179381649 /nfs/dbraw/zinc/38/16/49/179381649.db2.gz DKYMKABJTSYKMX-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)s1 ZINC000293613364 388841410 /nfs/dbraw/zinc/84/14/10/388841410.db2.gz JFRUTIBQMBDMTR-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)s1 ZINC000293613368 178888584 /nfs/dbraw/zinc/88/85/84/178888584.db2.gz JFRUTIBQMBDMTR-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO COCCCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000293641743 174203532 /nfs/dbraw/zinc/20/35/32/174203532.db2.gz ICRIECHEZPGLMT-CYBMUJFWSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000293641746 174202505 /nfs/dbraw/zinc/20/25/05/174202505.db2.gz ICRIECHEZPGLMT-ZDUSSCGKSA-N 1 0 247.382 3.641 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC23CCCC3)cn1 ZINC000293668319 388358298 /nfs/dbraw/zinc/35/82/98/388358298.db2.gz JPIKJJNJMOTOIF-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cn1 ZINC000293668321 388358006 /nfs/dbraw/zinc/35/80/06/388358006.db2.gz JPIKJJNJMOTOIF-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccoc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000293690360 386861983 /nfs/dbraw/zinc/86/19/83/386861983.db2.gz NSBDAOJCDLZOPE-UHFFFAOYSA-N 1 0 243.297 3.502 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000293691820 166754215 /nfs/dbraw/zinc/75/42/15/166754215.db2.gz LFMFMRZAIRVIMY-JTQLQIEISA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000293691821 388359528 /nfs/dbraw/zinc/35/95/28/388359528.db2.gz LFMFMRZAIRVIMY-SNVBAGLBSA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000293702999 388365417 /nfs/dbraw/zinc/36/54/17/388365417.db2.gz MFANJIPMRVELCS-JTQLQIEISA-N 1 0 209.358 3.587 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccsc2)CC1 ZINC000293703004 388365959 /nfs/dbraw/zinc/36/59/59/388365959.db2.gz MFANJIPMRVELCS-SNVBAGLBSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+]Cc1occc1C)c1cccc(F)c1 ZINC000293705143 388375631 /nfs/dbraw/zinc/37/56/31/388375631.db2.gz OPZSYDZKQOCCJX-AWEZNQCLSA-N 1 0 247.313 3.968 20 0 BHADRO CC[C@@H]([NH2+]Cc1occc1C)c1cccc(F)c1 ZINC000293705144 362973386 /nfs/dbraw/zinc/97/33/86/362973386.db2.gz OPZSYDZKQOCCJX-CQSZACIVSA-N 1 0 247.313 3.968 20 0 BHADRO Cc1sccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000293705952 386863766 /nfs/dbraw/zinc/86/37/66/386863766.db2.gz XLAPTJHKVBHTQD-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000293709967 386867093 /nfs/dbraw/zinc/86/70/93/386867093.db2.gz UPACRMINNZPHEH-LLVKDONJSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000293709972 386867512 /nfs/dbraw/zinc/86/75/12/386867512.db2.gz UPACRMINNZPHEH-NSHDSACASA-N 1 0 246.379 3.645 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)c1ccccc1 ZINC000293710030 388403849 /nfs/dbraw/zinc/40/38/49/388403849.db2.gz XRRKNLRCCHUQHG-LLVKDONJSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000293710044 388403355 /nfs/dbraw/zinc/40/33/55/388403355.db2.gz XRRKNLRCCHUQHG-NSHDSACASA-N 1 0 231.364 3.907 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000293714062 352359691 /nfs/dbraw/zinc/35/96/91/352359691.db2.gz FABARSIVWGEFGH-BFJAYTPKSA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000293714065 171543369 /nfs/dbraw/zinc/54/33/69/171543369.db2.gz FABARSIVWGEFGH-XNISGKROSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000293728545 179321902 /nfs/dbraw/zinc/32/19/02/179321902.db2.gz GISXEVWXZKVEGN-BARDWOONSA-N 1 0 247.382 3.602 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc(F)c1 ZINC000293743714 384358097 /nfs/dbraw/zinc/35/80/97/384358097.db2.gz QWEUKYOFLMTMLD-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc(F)c1 ZINC000293743716 384357994 /nfs/dbraw/zinc/35/79/94/384357994.db2.gz QWEUKYOFLMTMLD-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000293744992 398039529 /nfs/dbraw/zinc/03/95/29/398039529.db2.gz PSODZQCIQWJHGX-JTQLQIEISA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000293744995 398039276 /nfs/dbraw/zinc/03/92/76/398039276.db2.gz PSODZQCIQWJHGX-SNVBAGLBSA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000293746389 384418617 /nfs/dbraw/zinc/41/86/17/384418617.db2.gz PVKACULAVWPGPX-JTQLQIEISA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000293746390 384417648 /nfs/dbraw/zinc/41/76/48/384417648.db2.gz PVKACULAVWPGPX-SNVBAGLBSA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000293746426 386871142 /nfs/dbraw/zinc/87/11/42/386871142.db2.gz PWFQVBXFBYBQGU-GFCCVEGCSA-N 1 0 245.366 3.556 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000293746428 386872642 /nfs/dbraw/zinc/87/26/42/386872642.db2.gz PWFQVBXFBYBQGU-LBPRGKRZSA-N 1 0 245.366 3.556 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000293760615 386875531 /nfs/dbraw/zinc/87/55/31/386875531.db2.gz YZMOGUBCDXNYRE-LLVKDONJSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000293760617 386874018 /nfs/dbraw/zinc/87/40/18/386874018.db2.gz YZMOGUBCDXNYRE-NSHDSACASA-N 1 0 246.379 3.645 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)o1 ZINC000293767740 386873566 /nfs/dbraw/zinc/87/35/66/386873566.db2.gz SMGPPJTUGXPREP-SECBINFHSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)o1 ZINC000293767747 386875070 /nfs/dbraw/zinc/87/50/70/386875070.db2.gz SMGPPJTUGXPREP-VIFPVBQESA-N 1 0 243.297 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)cc1 ZINC000293775045 187698220 /nfs/dbraw/zinc/69/82/20/187698220.db2.gz SXTFZPNQUBUHFK-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)cc1 ZINC000293775048 384047358 /nfs/dbraw/zinc/04/73/58/384047358.db2.gz SXTFZPNQUBUHFK-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1sccc1C ZINC000293785015 398130530 /nfs/dbraw/zinc/13/05/30/398130530.db2.gz UBCDZMIROUSGGN-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1sccc1C ZINC000293785020 398130680 /nfs/dbraw/zinc/13/06/80/398130680.db2.gz UBCDZMIROUSGGN-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1sccc1C)OC ZINC000293803139 169386056 /nfs/dbraw/zinc/38/60/56/169386056.db2.gz YISREQXLHCYXBR-NEPJUHHUSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1sccc1C)OC ZINC000293803142 487812477 /nfs/dbraw/zinc/81/24/77/487812477.db2.gz YISREQXLHCYXBR-NWDGAFQWSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1sccc1C)OC ZINC000293803146 169385850 /nfs/dbraw/zinc/38/58/50/169385850.db2.gz YISREQXLHCYXBR-RYUDHWBXSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1sccc1C)OC ZINC000293803147 487812466 /nfs/dbraw/zinc/81/24/66/487812466.db2.gz YISREQXLHCYXBR-VXGBXAGGSA-N 1 0 241.400 3.522 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000293804513 175380161 /nfs/dbraw/zinc/38/01/61/175380161.db2.gz VHCYCDOUAHTFKM-JTQLQIEISA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000293804523 175379438 /nfs/dbraw/zinc/37/94/38/175379438.db2.gz VHCYCDOUAHTFKM-SNVBAGLBSA-N 1 0 239.384 3.596 20 0 BHADRO CC(C)CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293808482 386882293 /nfs/dbraw/zinc/88/22/93/386882293.db2.gz DVMDVXBSBYSXRJ-AWEZNQCLSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000293808488 386881541 /nfs/dbraw/zinc/88/15/41/386881541.db2.gz DVMDVXBSBYSXRJ-CQSZACIVSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1 ZINC000293830540 170892270 /nfs/dbraw/zinc/89/22/70/170892270.db2.gz WLVQLZFAEQKMAL-CYBMUJFWSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1 ZINC000293830546 388391477 /nfs/dbraw/zinc/39/14/77/388391477.db2.gz WLVQLZFAEQKMAL-ZDUSSCGKSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000293836753 383870454 /nfs/dbraw/zinc/87/04/54/383870454.db2.gz WSWXKTLSCJOPQU-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000293836758 176837158 /nfs/dbraw/zinc/83/71/58/176837158.db2.gz WSWXKTLSCJOPQU-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO CCCc1nc(C)c(C[NH2+][C@@H]2CC=C(C)CC2)o1 ZINC000293846266 386889701 /nfs/dbraw/zinc/88/97/01/386889701.db2.gz HLROXNPRGVPORM-CYBMUJFWSA-N 1 0 248.370 3.524 20 0 BHADRO CCCc1nc(C)c(C[NH2+][C@H]2CC=C(C)CC2)o1 ZINC000293846270 169586741 /nfs/dbraw/zinc/58/67/41/169586741.db2.gz HLROXNPRGVPORM-ZDUSSCGKSA-N 1 0 248.370 3.524 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cccs2)CC1 ZINC000293848190 388392701 /nfs/dbraw/zinc/39/27/01/388392701.db2.gz YFEBFWNXISFELE-JTQLQIEISA-N 1 0 209.358 3.587 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cccs2)CC1 ZINC000293848194 166753905 /nfs/dbraw/zinc/75/39/05/166753905.db2.gz YFEBFWNXISFELE-SNVBAGLBSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CSC(C)(C)C ZINC000293857215 398297423 /nfs/dbraw/zinc/29/74/23/398297423.db2.gz XQGZJHYMFCAJGC-LLVKDONJSA-N 1 0 241.400 3.598 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000293857217 398297210 /nfs/dbraw/zinc/29/72/10/398297210.db2.gz XQGZJHYMFCAJGC-NSHDSACASA-N 1 0 241.400 3.598 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000293896829 386899564 /nfs/dbraw/zinc/89/95/64/386899564.db2.gz VPUPTLSKOIGXTF-CTASWTNQSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000293896843 386898837 /nfs/dbraw/zinc/89/88/37/386898837.db2.gz VPUPTLSKOIGXTF-KNCOVGOOSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c(C)o1 ZINC000293903558 178221996 /nfs/dbraw/zinc/22/19/96/178221996.db2.gz ZRZYDGRZJPQZLR-SECBINFHSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC(F)(F)C2)c(C)o1 ZINC000293903562 178246646 /nfs/dbraw/zinc/24/66/46/178246646.db2.gz ZRZYDGRZJPQZLR-VIFPVBQESA-N 1 0 243.297 3.592 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccncc1 ZINC000293962762 175871068 /nfs/dbraw/zinc/87/10/68/175871068.db2.gz AAMGKODWJRTERI-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccncc1 ZINC000293962770 176839930 /nfs/dbraw/zinc/83/99/30/176839930.db2.gz AAMGKODWJRTERI-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccsc1C ZINC000293989754 385780839 /nfs/dbraw/zinc/78/08/39/385780839.db2.gz RZPFOTUFYUWMTC-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO Cc1ccc(N[C@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000294044821 384267787 /nfs/dbraw/zinc/26/77/87/384267787.db2.gz IXIDHBLJUZZRLJ-JSGCOSHPSA-N 1 0 241.338 3.618 20 0 BHADRO Cc1ccc(N[C@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000294044824 384269135 /nfs/dbraw/zinc/26/91/35/384269135.db2.gz IXIDHBLJUZZRLJ-OCCSQVGLSA-N 1 0 241.338 3.618 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@@H](C)n3ccnc32)c(C)c1 ZINC000294044827 384269796 /nfs/dbraw/zinc/26/97/96/384269796.db2.gz IXIDHBLJUZZRLJ-TZMCWYRMSA-N 1 0 241.338 3.618 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000294059747 398121889 /nfs/dbraw/zinc/12/18/89/398121889.db2.gz XSGMZPICEJIMCZ-SECBINFHSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000294059752 398122053 /nfs/dbraw/zinc/12/20/53/398122053.db2.gz XSGMZPICEJIMCZ-VIFPVBQESA-N 1 0 245.338 3.534 20 0 BHADRO c1cc(NC2CCSCC2)ncc1C1CCC1 ZINC000294062744 183357333 /nfs/dbraw/zinc/35/73/33/183357333.db2.gz QCXKUYQQWQITAS-UHFFFAOYSA-N 1 0 248.395 3.657 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000294067260 171280035 /nfs/dbraw/zinc/28/00/35/171280035.db2.gz YHCPMZLHAKOKEC-GXTWGEPZSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000294067261 171279494 /nfs/dbraw/zinc/27/94/94/171279494.db2.gz YHCPMZLHAKOKEC-JSGCOSHPSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000294067262 385797054 /nfs/dbraw/zinc/79/70/54/385797054.db2.gz YHCPMZLHAKOKEC-OCCSQVGLSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000294067263 385798277 /nfs/dbraw/zinc/79/82/77/385798277.db2.gz YHCPMZLHAKOKEC-TZMCWYRMSA-N 1 0 232.371 3.511 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1sccc1Cl ZINC000294090914 387592313 /nfs/dbraw/zinc/59/23/13/387592313.db2.gz BCKAPHYXZXBMRO-UHFFFAOYSA-N 1 0 239.718 3.536 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1 ZINC000294091280 388394715 /nfs/dbraw/zinc/39/47/15/388394715.db2.gz BFSYXTRDPQBTSW-GFCCVEGCSA-N 1 0 245.288 3.912 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1 ZINC000294091285 384177393 /nfs/dbraw/zinc/17/73/93/384177393.db2.gz BFSYXTRDPQBTSW-LBPRGKRZSA-N 1 0 245.288 3.912 20 0 BHADRO Cc1cccc(N[C@H]2C[C@H](C)n3ccnc32)c1C ZINC000294093857 179158432 /nfs/dbraw/zinc/15/84/32/179158432.db2.gz MFMIYHKPVWIHOW-FZMZJTMJSA-N 1 0 241.338 3.618 20 0 BHADRO Cc1cccc(N[C@@H]2C[C@H](C)n3ccnc32)c1C ZINC000294093861 179154759 /nfs/dbraw/zinc/15/47/59/179154759.db2.gz MFMIYHKPVWIHOW-SMDDNHRTSA-N 1 0 241.338 3.618 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000294099146 170313873 /nfs/dbraw/zinc/31/38/73/170313873.db2.gz BVELPQOXXMTEEE-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000294099148 170313334 /nfs/dbraw/zinc/31/33/34/170313334.db2.gz BVELPQOXXMTEEE-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000294102784 178252734 /nfs/dbraw/zinc/25/27/34/178252734.db2.gz CDENGNWBZIXIBG-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000294102789 178229284 /nfs/dbraw/zinc/22/92/84/178229284.db2.gz CDENGNWBZIXIBG-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCSC2)cs1 ZINC000294104041 178253392 /nfs/dbraw/zinc/25/33/92/178253392.db2.gz CGFKRIMUBCEQLP-CMPLNLGQSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCCSC2)cs1 ZINC000294104045 178258402 /nfs/dbraw/zinc/25/84/02/178258402.db2.gz CGFKRIMUBCEQLP-JQWIXIFHSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCSC2)cs1 ZINC000294104049 178233012 /nfs/dbraw/zinc/23/30/12/178233012.db2.gz CGFKRIMUBCEQLP-PWSUYJOCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCSC2)cs1 ZINC000294104053 178230150 /nfs/dbraw/zinc/23/01/50/178230150.db2.gz CGFKRIMUBCEQLP-ZYHUDNBSSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(C)(F)F)CC2 ZINC000294111566 388395375 /nfs/dbraw/zinc/39/53/75/388395375.db2.gz CVSQNHZAWDTRAX-CYBMUJFWSA-N 1 0 239.309 3.617 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(C)(F)F)CC2 ZINC000294111577 178950692 /nfs/dbraw/zinc/95/06/92/178950692.db2.gz CVSQNHZAWDTRAX-ZDUSSCGKSA-N 1 0 239.309 3.617 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1 ZINC000294117841 384754198 /nfs/dbraw/zinc/75/41/98/384754198.db2.gz DKCOMMSIMFCVFI-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1 ZINC000294117844 384756806 /nfs/dbraw/zinc/75/68/06/384756806.db2.gz DKCOMMSIMFCVFI-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCCC2)cs1 ZINC000294119035 178244973 /nfs/dbraw/zinc/24/49/73/178244973.db2.gz DKQWRYJEIUVJDI-JTQLQIEISA-N 1 0 209.358 3.650 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCC2)cs1 ZINC000294119037 178223462 /nfs/dbraw/zinc/22/34/62/178223462.db2.gz DKQWRYJEIUVJDI-SNVBAGLBSA-N 1 0 209.358 3.650 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000294120986 387592552 /nfs/dbraw/zinc/59/25/52/387592552.db2.gz DPTNZZNMNCNORG-JTQLQIEISA-N 1 0 243.441 3.849 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000294120991 384779018 /nfs/dbraw/zinc/77/90/18/384779018.db2.gz DPTNZZNMNCNORG-SNVBAGLBSA-N 1 0 243.441 3.849 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2)cs1 ZINC000294124945 178229419 /nfs/dbraw/zinc/22/94/19/178229419.db2.gz FBFODRBCMPQWEJ-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2)cs1 ZINC000294124948 178251977 /nfs/dbraw/zinc/25/19/77/178251977.db2.gz FBFODRBCMPQWEJ-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)c(C)c1 ZINC000294133968 384939758 /nfs/dbraw/zinc/93/97/58/384939758.db2.gz FTSPUZODGMVQIX-GFCCVEGCSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)c(C)c1 ZINC000294133975 178888612 /nfs/dbraw/zinc/88/86/12/178888612.db2.gz FTSPUZODGMVQIX-LBPRGKRZSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)o1 ZINC000294135949 384959775 /nfs/dbraw/zinc/95/97/75/384959775.db2.gz FYZVCVZGOKOGLD-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)o1 ZINC000294135956 384960166 /nfs/dbraw/zinc/96/01/66/384960166.db2.gz FYZVCVZGOKOGLD-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC(C)(F)F ZINC000294137836 388395298 /nfs/dbraw/zinc/39/52/98/388395298.db2.gz GADBFTJKHBDHPY-SECBINFHSA-N 1 0 233.327 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC(C)(F)F ZINC000294137838 179554663 /nfs/dbraw/zinc/55/46/63/179554663.db2.gz GADBFTJKHBDHPY-VIFPVBQESA-N 1 0 233.327 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(F)F)c(C)o1 ZINC000294139787 178224836 /nfs/dbraw/zinc/22/48/36/178224836.db2.gz GGLMJQGSDUINAS-SECBINFHSA-N 1 0 231.286 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(F)F)c(C)o1 ZINC000294139788 178246936 /nfs/dbraw/zinc/24/69/36/178246936.db2.gz GGLMJQGSDUINAS-VIFPVBQESA-N 1 0 231.286 3.592 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)cc1C ZINC000294142651 384996391 /nfs/dbraw/zinc/99/63/91/384996391.db2.gz GNAHSYIMBUFEAA-GFCCVEGCSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)cc1C ZINC000294142655 384996265 /nfs/dbraw/zinc/99/62/65/384996265.db2.gz GNAHSYIMBUFEAA-LBPRGKRZSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000294147794 385166479 /nfs/dbraw/zinc/16/64/79/385166479.db2.gz HDXFNKSNPJQUAP-LLVKDONJSA-N 1 0 227.298 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000294147799 385165982 /nfs/dbraw/zinc/16/59/82/385165982.db2.gz HDXFNKSNPJQUAP-NSHDSACASA-N 1 0 227.298 3.691 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccsc1 ZINC000294152960 388394993 /nfs/dbraw/zinc/39/49/93/388394993.db2.gz ABGLGDWTLOBDIP-CMPLNLGQSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccsc1 ZINC000294152965 171525379 /nfs/dbraw/zinc/52/53/79/171525379.db2.gz ABGLGDWTLOBDIP-JQWIXIFHSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccsc1 ZINC000294152970 388395983 /nfs/dbraw/zinc/39/59/83/388395983.db2.gz ABGLGDWTLOBDIP-PWSUYJOCSA-N 1 0 241.425 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccsc1 ZINC000294152974 364775274 /nfs/dbraw/zinc/77/52/74/364775274.db2.gz ABGLGDWTLOBDIP-ZYHUDNBSSA-N 1 0 241.425 3.542 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCOC(C)C)cs1 ZINC000294156784 178225042 /nfs/dbraw/zinc/22/50/42/178225042.db2.gz HZHZFOKNWIMHHG-GFCCVEGCSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCOC(C)C)cs1 ZINC000294156788 178246704 /nfs/dbraw/zinc/24/67/04/178246704.db2.gz HZHZFOKNWIMHHG-LBPRGKRZSA-N 1 0 241.400 3.522 20 0 BHADRO CC(F)(F)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000294162454 167815886 /nfs/dbraw/zinc/81/58/86/167815886.db2.gz INZGZIKNJASXPL-CYBMUJFWSA-N 1 0 239.309 3.773 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000294162458 388395393 /nfs/dbraw/zinc/39/53/93/388395393.db2.gz INZGZIKNJASXPL-ZDUSSCGKSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccsc1 ZINC000294165486 385325425 /nfs/dbraw/zinc/32/54/25/385325425.db2.gz BNSHKMVYKXKTHP-NEPJUHHUSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccsc1 ZINC000294165488 345296008 /nfs/dbraw/zinc/29/60/08/345296008.db2.gz BNSHKMVYKXKTHP-NWDGAFQWSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccsc1 ZINC000294165491 385325095 /nfs/dbraw/zinc/32/50/95/385325095.db2.gz BNSHKMVYKXKTHP-RYUDHWBXSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccsc1 ZINC000294165493 345296457 /nfs/dbraw/zinc/29/64/57/345296457.db2.gz BNSHKMVYKXKTHP-VXGBXAGGSA-N 1 0 241.425 3.684 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccc(Cl)s1 ZINC000294165866 398340852 /nfs/dbraw/zinc/34/08/52/398340852.db2.gz IVWASHSITCOCQH-UHFFFAOYSA-N 1 0 239.718 3.536 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000294167363 387591423 /nfs/dbraw/zinc/59/14/23/387591423.db2.gz IYLHSBRFOMPWLT-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000294167365 385343531 /nfs/dbraw/zinc/34/35/31/385343531.db2.gz IYLHSBRFOMPWLT-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000294174384 388395017 /nfs/dbraw/zinc/39/50/17/388395017.db2.gz QCYPZRZGNRZIPA-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCCc2occc21 ZINC000294174389 388395844 /nfs/dbraw/zinc/39/58/44/388395844.db2.gz QCYPZRZGNRZIPA-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1)c1ccsc1 ZINC000294175497 384452215 /nfs/dbraw/zinc/45/22/15/384452215.db2.gz CXRLPOOSDGJMED-AWEZNQCLSA-N 1 0 231.364 3.989 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1)c1ccsc1 ZINC000294175501 353139845 /nfs/dbraw/zinc/13/98/45/353139845.db2.gz CXRLPOOSDGJMED-CQSZACIVSA-N 1 0 231.364 3.989 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccsc1 ZINC000294178026 170908146 /nfs/dbraw/zinc/90/81/46/170908146.db2.gz DJQZJJUKELVNLW-GXSJLCMTSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1ccsc1 ZINC000294178028 384270080 /nfs/dbraw/zinc/27/00/80/384270080.db2.gz DJQZJJUKELVNLW-KOLCDFICSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccsc1 ZINC000294178029 345357473 /nfs/dbraw/zinc/35/74/73/345357473.db2.gz DJQZJJUKELVNLW-MWLCHTKSSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccsc1 ZINC000294178031 384269154 /nfs/dbraw/zinc/26/91/54/384269154.db2.gz DJQZJJUKELVNLW-ONGXEEELSA-N 1 0 229.414 3.540 20 0 BHADRO C[C@H](CC[NH2+]CCC(C)(F)F)c1ccccc1 ZINC000294180460 176630003 /nfs/dbraw/zinc/63/00/03/176630003.db2.gz JZLPVYJYDMKSRC-GFCCVEGCSA-N 1 0 241.325 3.815 20 0 BHADRO C[C@@H](CC[NH2+]CCC(C)(F)F)c1ccccc1 ZINC000294180464 388396648 /nfs/dbraw/zinc/39/66/48/388396648.db2.gz JZLPVYJYDMKSRC-LBPRGKRZSA-N 1 0 241.325 3.815 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1cc(F)ccc1F ZINC000294182255 384289831 /nfs/dbraw/zinc/28/98/31/384289831.db2.gz KEYXONMSNUZBFI-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1cc(F)ccc1F ZINC000294182257 384290322 /nfs/dbraw/zinc/29/03/22/384290322.db2.gz KEYXONMSNUZBFI-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccsc1 ZINC000294182722 384289276 /nfs/dbraw/zinc/28/92/76/384289276.db2.gz DVKDJVVFRBWCRD-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccsc1 ZINC000294182727 345373202 /nfs/dbraw/zinc/37/32/02/345373202.db2.gz DVKDJVVFRBWCRD-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)cs1 ZINC000294184024 178233049 /nfs/dbraw/zinc/23/30/49/178233049.db2.gz KJONQIYFCSLQPA-NXEZZACHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)cs1 ZINC000294184031 178252143 /nfs/dbraw/zinc/25/21/43/178252143.db2.gz KJONQIYFCSLQPA-UWVGGRQHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)cs1 ZINC000294184037 178228691 /nfs/dbraw/zinc/22/86/91/178228691.db2.gz KJONQIYFCSLQPA-VHSXEESVSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)cs1 ZINC000294184042 178255091 /nfs/dbraw/zinc/25/50/91/178255091.db2.gz KJONQIYFCSLQPA-ZJUUUORDSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CC2)cs1 ZINC000294186135 487473282 /nfs/dbraw/zinc/47/32/82/487473282.db2.gz KOIROTRJLPAMAC-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CC2)cs1 ZINC000294186139 488146730 /nfs/dbraw/zinc/14/67/30/488146730.db2.gz KOIROTRJLPAMAC-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)SC)c1ccsc1 ZINC000294188112 384312622 /nfs/dbraw/zinc/31/26/22/384312622.db2.gz FOPVVUQQSQGTOJ-LLVKDONJSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)SC)c1ccsc1 ZINC000294188116 384315074 /nfs/dbraw/zinc/31/50/74/384315074.db2.gz FOPVVUQQSQGTOJ-NSHDSACASA-N 1 0 243.441 3.930 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)s1 ZINC000294189462 388396604 /nfs/dbraw/zinc/39/66/04/388396604.db2.gz KWOHMOGKFBJULS-SECBINFHSA-N 1 0 233.327 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)s1 ZINC000294189466 178888975 /nfs/dbraw/zinc/88/89/75/178888975.db2.gz KWOHMOGKFBJULS-VIFPVBQESA-N 1 0 233.327 3.752 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccsc1 ZINC000294195104 384389275 /nfs/dbraw/zinc/38/92/75/384389275.db2.gz GLDYNWWYJKSPOM-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccsc1 ZINC000294195105 345422360 /nfs/dbraw/zinc/42/23/60/345422360.db2.gz GLDYNWWYJKSPOM-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccsc1 ZINC000294195107 345422409 /nfs/dbraw/zinc/42/24/09/345422409.db2.gz GLDYNWWYJKSPOM-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccsc1 ZINC000294195109 384388625 /nfs/dbraw/zinc/38/86/25/384388625.db2.gz GLDYNWWYJKSPOM-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(F)F)cs1 ZINC000294197107 178225086 /nfs/dbraw/zinc/22/50/86/178225086.db2.gz LNYZRXSWXHVIHP-SECBINFHSA-N 1 0 233.327 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(F)F)cs1 ZINC000294197110 178246970 /nfs/dbraw/zinc/24/69/70/178246970.db2.gz LNYZRXSWXHVIHP-VIFPVBQESA-N 1 0 233.327 3.752 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCc2sccc21 ZINC000294197211 384466664 /nfs/dbraw/zinc/46/66/64/384466664.db2.gz LOSSPDVSGRBNNZ-JTQLQIEISA-N 1 0 245.338 3.760 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000294197216 384466500 /nfs/dbraw/zinc/46/65/00/384466500.db2.gz LOSSPDVSGRBNNZ-SNVBAGLBSA-N 1 0 245.338 3.760 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294197260 179180732 /nfs/dbraw/zinc/18/07/32/179180732.db2.gz LPALZXVHKUMFKY-LLVKDONJSA-N 1 0 227.298 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294197263 179194682 /nfs/dbraw/zinc/19/46/82/179194682.db2.gz LPALZXVHKUMFKY-NSHDSACASA-N 1 0 227.298 3.691 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccsc1 ZINC000294197372 364777678 /nfs/dbraw/zinc/77/76/78/364777678.db2.gz GWEANXYQBHKEQK-BXUZGUMPSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccsc1 ZINC000294197376 388397087 /nfs/dbraw/zinc/39/70/87/388397087.db2.gz GWEANXYQBHKEQK-FZMZJTMJSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccsc1 ZINC000294197381 388396224 /nfs/dbraw/zinc/39/62/24/388396224.db2.gz GWEANXYQBHKEQK-RISCZKNCSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccsc1 ZINC000294197384 364776421 /nfs/dbraw/zinc/77/64/21/364776421.db2.gz GWEANXYQBHKEQK-SMDDNHRTSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)c1ccsc1 ZINC000294199751 384533732 /nfs/dbraw/zinc/53/37/32/384533732.db2.gz HEPYHABDMBYRPB-GFCCVEGCSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)c1ccsc1 ZINC000294199755 171516216 /nfs/dbraw/zinc/51/62/16/171516216.db2.gz HEPYHABDMBYRPB-LBPRGKRZSA-N 1 0 241.425 3.684 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)cs1 ZINC000294200912 178024231 /nfs/dbraw/zinc/02/42/31/178024231.db2.gz LTVFRZVQKBPBBS-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cs1 ZINC000294200914 178022803 /nfs/dbraw/zinc/02/28/03/178022803.db2.gz LTVFRZVQKBPBBS-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccsc2)cs1 ZINC000294205313 178252400 /nfs/dbraw/zinc/25/24/00/178252400.db2.gz MDASKFLJIAWRHO-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccsc2)cs1 ZINC000294205316 178228684 /nfs/dbraw/zinc/22/86/84/178228684.db2.gz MDASKFLJIAWRHO-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO CC(F)(F)CCNc1cc[nH+]c2ccccc12 ZINC000294208985 384601639 /nfs/dbraw/zinc/60/16/39/384601639.db2.gz MLTSDQAFZXOEJV-UHFFFAOYSA-N 1 0 236.265 3.692 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1cc2ccccc2o1 ZINC000294212832 388396679 /nfs/dbraw/zinc/39/66/79/388396679.db2.gz MQWOSTHDPPUUDH-UHFFFAOYSA-N 1 0 239.265 3.568 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccc2ccccc2c1 ZINC000294213988 388396302 /nfs/dbraw/zinc/39/63/02/388396302.db2.gz MUPIFORXZLROEO-UHFFFAOYSA-N 1 0 249.304 3.975 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000294216291 384651980 /nfs/dbraw/zinc/65/19/80/384651980.db2.gz NAAYCLIYTJPSHM-CYBMUJFWSA-N 1 0 241.325 3.643 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000294216293 384652294 /nfs/dbraw/zinc/65/22/94/384652294.db2.gz NAAYCLIYTJPSHM-ZDUSSCGKSA-N 1 0 241.325 3.643 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000294218324 384669657 /nfs/dbraw/zinc/66/96/57/384669657.db2.gz SELCGFDUVZTLJS-OAHLLOKOSA-N 1 0 243.375 3.834 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1F ZINC000294219739 388396669 /nfs/dbraw/zinc/39/66/69/388396669.db2.gz NHZZXEHZVIDYEU-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1F ZINC000294219747 388396992 /nfs/dbraw/zinc/39/69/92/388396992.db2.gz NHZZXEHZVIDYEU-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO CCC[C@H]([NH2+]Cc1conc1C)c1ccccc1 ZINC000294224547 384680913 /nfs/dbraw/zinc/68/09/13/384680913.db2.gz SNBNLJVLVJOOIQ-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1 ZINC000294231382 384687731 /nfs/dbraw/zinc/68/77/31/384687731.db2.gz OJJJYMJRWLELDJ-SECBINFHSA-N 1 0 231.261 3.522 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1cccc(F)c1 ZINC000294231385 384688046 /nfs/dbraw/zinc/68/80/46/384688046.db2.gz OJJJYMJRWLELDJ-VIFPVBQESA-N 1 0 231.261 3.522 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)C2)cs1 ZINC000294236530 178245811 /nfs/dbraw/zinc/24/58/11/178245811.db2.gz OTLWNKXCDGYHPD-BSTRBVHOSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)C2)cs1 ZINC000294236533 178222931 /nfs/dbraw/zinc/22/29/31/178222931.db2.gz OTLWNKXCDGYHPD-KRBLXSNTSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccco2)cs1 ZINC000294236576 178252624 /nfs/dbraw/zinc/25/26/24/178252624.db2.gz OUAGFHMFEWOQQI-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccco2)cs1 ZINC000294236579 178229597 /nfs/dbraw/zinc/22/95/97/178229597.db2.gz OUAGFHMFEWOQQI-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000294238140 384689176 /nfs/dbraw/zinc/68/91/76/384689176.db2.gz OYHLLKYOLLYXRQ-LLVKDONJSA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000294238143 384690264 /nfs/dbraw/zinc/69/02/64/384690264.db2.gz OYHLLKYOLLYXRQ-NSHDSACASA-N 1 0 245.338 3.663 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cs1 ZINC000294241685 384689625 /nfs/dbraw/zinc/68/96/25/384689625.db2.gz PFULKKZBHDFLJV-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)nc2)cs1 ZINC000294241689 384689652 /nfs/dbraw/zinc/68/96/52/384689652.db2.gz PFULKKZBHDFLJV-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1sccc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000294242372 178026269 /nfs/dbraw/zinc/02/62/69/178026269.db2.gz UDDKYWOKTBIJNO-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)c(F)c1 ZINC000294252894 388397984 /nfs/dbraw/zinc/39/79/84/388397984.db2.gz QAJMVSBWZCUTKT-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)c(F)c1 ZINC000294252898 410520955 /nfs/dbraw/zinc/52/09/55/410520955.db2.gz QAJMVSBWZCUTKT-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000294265757 388398134 /nfs/dbraw/zinc/39/81/34/388398134.db2.gz RJTUHLAUZXCBCS-CYBMUJFWSA-N 1 0 239.309 3.699 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000294265765 388397376 /nfs/dbraw/zinc/39/73/76/388397376.db2.gz RJTUHLAUZXCBCS-ZDUSSCGKSA-N 1 0 239.309 3.699 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000294269303 384710809 /nfs/dbraw/zinc/71/08/09/384710809.db2.gz ROYSUDXEQVOOJH-GHMZBOCLSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000294269309 384710634 /nfs/dbraw/zinc/71/06/34/384710634.db2.gz ROYSUDXEQVOOJH-MNOVXSKESA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000294269317 384711528 /nfs/dbraw/zinc/71/15/28/384711528.db2.gz ROYSUDXEQVOOJH-QWRGUYRKSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000294269321 384710554 /nfs/dbraw/zinc/71/05/54/384710554.db2.gz ROYSUDXEQVOOJH-WDEREUQCSA-N 1 0 243.297 3.756 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000294276663 384713405 /nfs/dbraw/zinc/71/34/05/384713405.db2.gz SIMNALVFWBYYHZ-GFCCVEGCSA-N 1 0 245.288 3.912 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000294276665 384715017 /nfs/dbraw/zinc/71/50/17/384715017.db2.gz SIMNALVFWBYYHZ-LBPRGKRZSA-N 1 0 245.288 3.912 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccs2)cs1 ZINC000294278625 178251530 /nfs/dbraw/zinc/25/15/30/178251530.db2.gz SMCPETFRYFZKEX-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccs2)cs1 ZINC000294278630 178229099 /nfs/dbraw/zinc/22/90/99/178229099.db2.gz SMCPETFRYFZKEX-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC(C)(F)F ZINC000294278698 388397976 /nfs/dbraw/zinc/39/79/76/388397976.db2.gz SMOKDCUZVZNVFB-GFCCVEGCSA-N 1 0 241.325 3.643 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC(C)(F)F ZINC000294278702 388397737 /nfs/dbraw/zinc/39/77/37/388397737.db2.gz SMOKDCUZVZNVFB-LBPRGKRZSA-N 1 0 241.325 3.643 20 0 BHADRO CC(F)(F)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000294281349 388398280 /nfs/dbraw/zinc/39/82/80/388398280.db2.gz SSWGZPQFAZDBQX-UHFFFAOYSA-N 1 0 239.309 3.568 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCC(C)(F)F ZINC000294290939 179319511 /nfs/dbraw/zinc/31/95/11/179319511.db2.gz UEVSTZNCWWPPNY-LLVKDONJSA-N 1 0 227.298 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC(C)(F)F ZINC000294290943 179336871 /nfs/dbraw/zinc/33/68/71/179336871.db2.gz UEVSTZNCWWPPNY-NSHDSACASA-N 1 0 227.298 3.691 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1F ZINC000294291052 384732070 /nfs/dbraw/zinc/73/20/70/384732070.db2.gz UFPHYUQGMWUDMA-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1F ZINC000294291056 384732556 /nfs/dbraw/zinc/73/25/56/384732556.db2.gz UFPHYUQGMWUDMA-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccnc2)cs1 ZINC000294296896 178257909 /nfs/dbraw/zinc/25/79/09/178257909.db2.gz URGLARIJWLHPSP-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000294296899 178231018 /nfs/dbraw/zinc/23/10/18/178231018.db2.gz URGLARIJWLHPSP-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000294296905 178253664 /nfs/dbraw/zinc/25/36/64/178253664.db2.gz URGLARIJWLHPSP-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cs1 ZINC000294296911 178233150 /nfs/dbraw/zinc/23/31/50/178233150.db2.gz URGLARIJWLHPSP-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1cccc2ccccc21 ZINC000294311019 384748940 /nfs/dbraw/zinc/74/89/40/384748940.db2.gz VVDSPCAEBGEGER-UHFFFAOYSA-N 1 0 249.304 3.975 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCC2)cs1 ZINC000294312417 178246503 /nfs/dbraw/zinc/24/65/03/178246503.db2.gz VZAKFPYCZPUVPG-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCC2)cs1 ZINC000294312421 178222659 /nfs/dbraw/zinc/22/26/59/178222659.db2.gz VZAKFPYCZPUVPG-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC(C)(F)F)o1 ZINC000294312547 388398687 /nfs/dbraw/zinc/39/86/87/388398687.db2.gz VZZIPQFUZNTXLO-GXSJLCMTSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC(C)(F)F)o1 ZINC000294312552 388398718 /nfs/dbraw/zinc/39/87/18/388398718.db2.gz VZZIPQFUZNTXLO-KOLCDFICSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC(C)(F)F)o1 ZINC000294312557 388398812 /nfs/dbraw/zinc/39/88/12/388398812.db2.gz VZZIPQFUZNTXLO-MWLCHTKSSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC(C)(F)F)o1 ZINC000294312563 177351794 /nfs/dbraw/zinc/35/17/94/177351794.db2.gz VZZIPQFUZNTXLO-ONGXEEELSA-N 1 0 243.297 3.538 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000294312732 170892379 /nfs/dbraw/zinc/89/23/79/170892379.db2.gz WBSZQKPUPVLJFI-GFCCVEGCSA-N 1 0 227.298 3.773 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000294312736 388398754 /nfs/dbraw/zinc/39/87/54/388398754.db2.gz WBSZQKPUPVLJFI-LBPRGKRZSA-N 1 0 227.298 3.773 20 0 BHADRO Cc1sccc1C[NH2+]Cc1ccc(C)cc1 ZINC000294321377 384751002 /nfs/dbraw/zinc/75/10/02/384751002.db2.gz XYBDLCVAKFWXGJ-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCSCC2)cs1 ZINC000294321748 178245394 /nfs/dbraw/zinc/24/53/94/178245394.db2.gz WSIMHQOOPBGXKW-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCSCC2)cs1 ZINC000294321750 178221889 /nfs/dbraw/zinc/22/18/89/178221889.db2.gz WSIMHQOOPBGXKW-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000294331472 175871977 /nfs/dbraw/zinc/87/19/77/175871977.db2.gz XRLROGIEVQLJPO-SECBINFHSA-N 1 0 231.261 3.522 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000294331475 176840499 /nfs/dbraw/zinc/84/04/99/176840499.db2.gz XRLROGIEVQLJPO-VIFPVBQESA-N 1 0 231.261 3.522 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cs1 ZINC000294333673 178231736 /nfs/dbraw/zinc/23/17/36/178231736.db2.gz XWQYZOGJQUGHDM-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccn2)cs1 ZINC000294333676 178258764 /nfs/dbraw/zinc/25/87/64/178258764.db2.gz XWQYZOGJQUGHDM-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cs1 ZINC000294333678 178253461 /nfs/dbraw/zinc/25/34/61/178253461.db2.gz XWQYZOGJQUGHDM-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cs1 ZINC000294333681 178232722 /nfs/dbraw/zinc/23/27/22/178232722.db2.gz XWQYZOGJQUGHDM-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000294348281 174184744 /nfs/dbraw/zinc/18/47/44/174184744.db2.gz ZBWNRBPHEJWBGT-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000294348284 174183671 /nfs/dbraw/zinc/18/36/71/174183671.db2.gz ZBWNRBPHEJWBGT-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1F ZINC000294355936 384778994 /nfs/dbraw/zinc/77/89/94/384778994.db2.gz ZPJQHNFHMBOYBA-SECBINFHSA-N 1 0 231.261 3.522 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1ccccc1F ZINC000294355937 384778651 /nfs/dbraw/zinc/77/86/51/384778651.db2.gz ZPJQHNFHMBOYBA-VIFPVBQESA-N 1 0 231.261 3.522 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CCC(C)(F)F ZINC000294356046 178067200 /nfs/dbraw/zinc/06/72/00/178067200.db2.gz ZRIVVJQXGQBVFW-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccsc1 ZINC000294376938 364777725 /nfs/dbraw/zinc/77/77/25/364777725.db2.gz HOYWAPUNFBJSSP-GXSJLCMTSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccsc1 ZINC000294376942 388398743 /nfs/dbraw/zinc/39/87/43/388398743.db2.gz HOYWAPUNFBJSSP-KOLCDFICSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccsc1 ZINC000294376945 388398785 /nfs/dbraw/zinc/39/87/85/388398785.db2.gz HOYWAPUNFBJSSP-MWLCHTKSSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccsc1 ZINC000294376948 388399058 /nfs/dbraw/zinc/39/90/58/388399058.db2.gz HOYWAPUNFBJSSP-ONGXEEELSA-N 1 0 229.414 3.540 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)c1ccsc1 ZINC000294377651 388398649 /nfs/dbraw/zinc/39/86/49/388398649.db2.gz HVVYJKVCKWVMMK-CYBMUJFWSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)c1ccsc1 ZINC000294377656 388398822 /nfs/dbraw/zinc/39/88/22/388398822.db2.gz HVVYJKVCKWVMMK-ZDUSSCGKSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+]Cc1occc1C)c1ccsc1 ZINC000294378933 345947826 /nfs/dbraw/zinc/94/78/26/345947826.db2.gz HXXREMCQGIWUNB-GFCCVEGCSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]Cc1occc1C)c1ccsc1 ZINC000294378937 384785935 /nfs/dbraw/zinc/78/59/35/384785935.db2.gz HXXREMCQGIWUNB-LBPRGKRZSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccsc1 ZINC000294383159 488149630 /nfs/dbraw/zinc/14/96/30/488149630.db2.gz INQSQFMQEMTREN-GFCCVEGCSA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccsc1 ZINC000294383161 488149751 /nfs/dbraw/zinc/14/97/51/488149751.db2.gz INQSQFMQEMTREN-LBPRGKRZSA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccsc1 ZINC000294387364 345967002 /nfs/dbraw/zinc/96/70/02/345967002.db2.gz JELORHDUZSMTBG-GFCCVEGCSA-N 1 0 221.325 3.582 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1ccsc1 ZINC000294387366 384795791 /nfs/dbraw/zinc/79/57/91/384795791.db2.gz JELORHDUZSMTBG-LBPRGKRZSA-N 1 0 221.325 3.582 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000294387542 170889782 /nfs/dbraw/zinc/88/97/82/170889782.db2.gz JIBHNWIUAYXIJK-GFCCVEGCSA-N 1 0 209.358 3.731 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000294387547 384795201 /nfs/dbraw/zinc/79/52/01/384795201.db2.gz JIBHNWIUAYXIJK-LBPRGKRZSA-N 1 0 209.358 3.731 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1ccsc1 ZINC000294399505 345985794 /nfs/dbraw/zinc/98/57/94/345985794.db2.gz LCYFBHWYPXSENZ-GFCCVEGCSA-N 1 0 221.325 3.582 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1ccsc1 ZINC000294399507 384816100 /nfs/dbraw/zinc/81/61/00/384816100.db2.gz LCYFBHWYPXSENZ-LBPRGKRZSA-N 1 0 221.325 3.582 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)c1ccsc1 ZINC000294416694 170313638 /nfs/dbraw/zinc/31/36/38/170313638.db2.gz NQLIZPZTLMSXAY-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)c1ccsc1 ZINC000294416700 170314146 /nfs/dbraw/zinc/31/41/46/170314146.db2.gz NQLIZPZTLMSXAY-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1ccsc1 ZINC000294420399 388400210 /nfs/dbraw/zinc/40/02/10/388400210.db2.gz ODQWAEILEBGOKS-NHNAUAITSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccsc1 ZINC000294420402 170889700 /nfs/dbraw/zinc/88/97/00/170889700.db2.gz ODQWAEILEBGOKS-QEWOUOOISA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccsc1 ZINC000294420600 346006174 /nfs/dbraw/zinc/00/61/74/346006174.db2.gz OIMJSVNAEGTIBJ-BXKDBHETSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccsc1 ZINC000294420603 171535767 /nfs/dbraw/zinc/53/57/67/171535767.db2.gz OIMJSVNAEGTIBJ-CABZTGNLSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccsc1 ZINC000294422505 170907910 /nfs/dbraw/zinc/90/79/10/170907910.db2.gz OIMJSVNAEGTIBJ-JOYOIKCWSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccsc1 ZINC000294422511 388400332 /nfs/dbraw/zinc/40/03/32/388400332.db2.gz OIMJSVNAEGTIBJ-SKDRFNHKSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1ccsc1 ZINC000294430100 170894779 /nfs/dbraw/zinc/89/47/79/170894779.db2.gz PKMYQGIQTXCXTI-LLVKDONJSA-N 1 0 229.414 3.542 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1ccsc1 ZINC000294430102 171520016 /nfs/dbraw/zinc/52/00/16/171520016.db2.gz PKMYQGIQTXCXTI-NSHDSACASA-N 1 0 229.414 3.542 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)c1ccsc1 ZINC000294502422 384910352 /nfs/dbraw/zinc/91/03/52/384910352.db2.gz ZUNYDQYQJWVWQM-LLVKDONJSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)c1ccsc1 ZINC000294502424 384910782 /nfs/dbraw/zinc/91/07/82/384910782.db2.gz ZUNYDQYQJWVWQM-NSHDSACASA-N 1 0 241.425 3.684 20 0 BHADRO CC[N@H+](Cc1ccncc1C)C1CCCCC1 ZINC000294527631 169927390 /nfs/dbraw/zinc/92/73/90/169927390.db2.gz GTSXDWHQKUSCDV-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000294578079 385870778 /nfs/dbraw/zinc/87/07/78/385870778.db2.gz PQLGMCHTGNKLAA-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000294578082 385870305 /nfs/dbraw/zinc/87/03/05/385870305.db2.gz PQLGMCHTGNKLAA-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000294614244 385873676 /nfs/dbraw/zinc/87/36/76/385873676.db2.gz XBLGTKHQXWFHJZ-AWEZNQCLSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000294614247 385874464 /nfs/dbraw/zinc/87/44/64/385874464.db2.gz XBLGTKHQXWFHJZ-CQSZACIVSA-N 1 0 246.379 3.722 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cccc(C2CC2)c1 ZINC000294650363 175874614 /nfs/dbraw/zinc/87/46/14/175874614.db2.gz GSICNSDTFNFYPA-LLVKDONJSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cccc(C2CC2)c1 ZINC000294650367 176843200 /nfs/dbraw/zinc/84/32/00/176843200.db2.gz GSICNSDTFNFYPA-NSHDSACASA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)[C@@H](C)c1ccccc1 ZINC000294657208 176839865 /nfs/dbraw/zinc/83/98/65/176839865.db2.gz AEGHGUJGRLQVGQ-NEPJUHHUSA-N 1 0 241.325 3.814 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@H](C)c1ccccc1 ZINC000294657212 398129565 /nfs/dbraw/zinc/12/95/65/398129565.db2.gz AEGHGUJGRLQVGQ-NWDGAFQWSA-N 1 0 241.325 3.814 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(F)F ZINC000294657216 176840155 /nfs/dbraw/zinc/84/01/55/176840155.db2.gz AEGHGUJGRLQVGQ-RYUDHWBXSA-N 1 0 241.325 3.814 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H](C)c1ccccc1 ZINC000294657219 176023298 /nfs/dbraw/zinc/02/32/98/176023298.db2.gz AEGHGUJGRLQVGQ-VXGBXAGGSA-N 1 0 241.325 3.814 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccn1)C1CCCC1 ZINC000294692395 175865766 /nfs/dbraw/zinc/86/57/66/175865766.db2.gz CKTJQRFCMYNCKW-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccn1)C1CCCC1 ZINC000294692397 176834430 /nfs/dbraw/zinc/83/44/30/176834430.db2.gz CKTJQRFCMYNCKW-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000294697228 172229600 /nfs/dbraw/zinc/22/96/00/172229600.db2.gz ANMWDTMYSWQEQL-KBPBESRZSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000294697229 172229630 /nfs/dbraw/zinc/22/96/30/172229630.db2.gz ANMWDTMYSWQEQL-KGLIPLIRSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000294697230 172227771 /nfs/dbraw/zinc/22/77/71/172227771.db2.gz ANMWDTMYSWQEQL-UONOGXRCSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000294697232 172228637 /nfs/dbraw/zinc/22/86/37/172228637.db2.gz ANMWDTMYSWQEQL-ZIAGYGMSSA-N 1 0 249.402 3.689 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000294720274 177082524 /nfs/dbraw/zinc/08/25/24/177082524.db2.gz FMAPEYNFTNNJAB-KBPBESRZSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000294720276 176080508 /nfs/dbraw/zinc/08/05/08/176080508.db2.gz FMAPEYNFTNNJAB-KGLIPLIRSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000294720277 177088534 /nfs/dbraw/zinc/08/85/34/177088534.db2.gz FMAPEYNFTNNJAB-UONOGXRCSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000294721767 176088250 /nfs/dbraw/zinc/08/82/50/176088250.db2.gz FMAPEYNFTNNJAB-ZIAGYGMSSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ncccc1C ZINC000294726998 188571363 /nfs/dbraw/zinc/57/13/63/188571363.db2.gz CYMCRGSNTXBNGY-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ncccc1C ZINC000294726999 385888359 /nfs/dbraw/zinc/88/83/59/385888359.db2.gz CYMCRGSNTXBNGY-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000294749541 385174708 /nfs/dbraw/zinc/17/47/08/385174708.db2.gz KQLQAWZLGJCZEQ-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cccnc1 ZINC000294749545 385174527 /nfs/dbraw/zinc/17/45/27/385174527.db2.gz KQLQAWZLGJCZEQ-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000294749546 175648817 /nfs/dbraw/zinc/64/88/17/175648817.db2.gz KQLQAWZLGJCZEQ-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cccnc1 ZINC000294749550 385172908 /nfs/dbraw/zinc/17/29/08/385172908.db2.gz KQLQAWZLGJCZEQ-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000294766840 388404951 /nfs/dbraw/zinc/40/49/51/388404951.db2.gz MIZXOGWOPMWPIU-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccccn1 ZINC000294766842 388404376 /nfs/dbraw/zinc/40/43/76/388404376.db2.gz MIZXOGWOPMWPIU-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000294766844 388404368 /nfs/dbraw/zinc/40/43/68/388404368.db2.gz MIZXOGWOPMWPIU-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccccn1 ZINC000294766845 388404911 /nfs/dbraw/zinc/40/49/11/388404911.db2.gz MIZXOGWOPMWPIU-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO CCC1([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000294771458 385189073 /nfs/dbraw/zinc/18/90/73/385189073.db2.gz KGSNSYHYNULCGH-UHFFFAOYSA-N 1 0 240.350 3.575 20 0 BHADRO CC[N@H+](Cc1csc(Cl)n1)C1CCCC1 ZINC000294776301 566322020 /nfs/dbraw/zinc/32/20/20/566322020.db2.gz ACTIWCLXTRZMGJ-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1 ZINC000294789988 385896003 /nfs/dbraw/zinc/89/60/03/385896003.db2.gz BHKVIGIXMSVXCF-INIZCTEOSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000294789991 188214324 /nfs/dbraw/zinc/21/43/24/188214324.db2.gz BHKVIGIXMSVXCF-MRXNPFEDSA-N 1 0 245.366 3.510 20 0 BHADRO CC1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000294792373 168162367 /nfs/dbraw/zinc/16/23/67/168162367.db2.gz MCTWERDKKWNPMJ-UHFFFAOYSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)(C[NH2+]C1CCCCCC1)c1ccccn1 ZINC000294810404 188213654 /nfs/dbraw/zinc/21/36/54/188213654.db2.gz NUIPIKHVOPMCQZ-UHFFFAOYSA-N 1 0 246.398 3.672 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccn1 ZINC000294838950 352385690 /nfs/dbraw/zinc/38/56/90/352385690.db2.gz QURSOJNWPJIABE-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC(C)(C)C1)c1ccccn1 ZINC000294838953 352385783 /nfs/dbraw/zinc/38/57/83/352385783.db2.gz QURSOJNWPJIABE-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000294841640 385903878 /nfs/dbraw/zinc/90/38/78/385903878.db2.gz BMKJXIWFTXHAIB-CYBMUJFWSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000294841642 385903316 /nfs/dbraw/zinc/90/33/16/385903316.db2.gz BMKJXIWFTXHAIB-ZDUSSCGKSA-N 1 0 245.366 3.510 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294850058 168946903 /nfs/dbraw/zinc/94/69/03/168946903.db2.gz RZWFEEDCYGYNEL-CYBMUJFWSA-N 1 0 234.387 3.528 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294850059 352386520 /nfs/dbraw/zinc/38/65/20/352386520.db2.gz RZWFEEDCYGYNEL-ZDUSSCGKSA-N 1 0 234.387 3.528 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)c2ccccn2)C1 ZINC000294868615 177137547 /nfs/dbraw/zinc/13/75/47/177137547.db2.gz UMRAXEOWHNIZTQ-KBPBESRZSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)c2ccccn2)C1 ZINC000294868618 176143484 /nfs/dbraw/zinc/14/34/84/176143484.db2.gz UMRAXEOWHNIZTQ-KGLIPLIRSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)c2ccccn2)C1 ZINC000294868620 177123029 /nfs/dbraw/zinc/12/30/29/177123029.db2.gz UMRAXEOWHNIZTQ-UONOGXRCSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)c2ccccn2)C1 ZINC000294868623 176123731 /nfs/dbraw/zinc/12/37/31/176123731.db2.gz UMRAXEOWHNIZTQ-ZIAGYGMSSA-N 1 0 246.398 3.528 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000294886261 168495440 /nfs/dbraw/zinc/49/54/40/168495440.db2.gz WBJUEVOBDBUOTB-ONEGZZNKSA-N 1 0 237.293 3.510 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000294894336 167136181 /nfs/dbraw/zinc/13/61/81/167136181.db2.gz FERVXHWZKYSWIN-XYPYZODXSA-N 1 0 223.747 3.584 20 0 BHADRO Cc1cccnc1CCC[NH2+]C1CCCCCC1 ZINC000294910216 179368511 /nfs/dbraw/zinc/36/85/11/179368511.db2.gz DXMDCCBPIHPSPY-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)c1ccccn1 ZINC000294917818 176616668 /nfs/dbraw/zinc/61/66/68/176616668.db2.gz YMJNSZVILSYCTM-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)c1ccccn1 ZINC000294917820 175662159 /nfs/dbraw/zinc/66/21/59/175662159.db2.gz YMJNSZVILSYCTM-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CCC1([NH2+]CCCc2cnccc2C)CCCC1 ZINC000294918686 385916633 /nfs/dbraw/zinc/91/66/33/385916633.db2.gz ASHLTKBBMDDESY-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO Cc1cc(C[NH2+]C2(c3ccccc3)CC2)cs1 ZINC000294918788 178019669 /nfs/dbraw/zinc/01/96/69/178019669.db2.gz CMAVFAQCMNJUKM-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000294923790 169378421 /nfs/dbraw/zinc/37/84/21/169378421.db2.gz YXQAGNJEGQKYFW-CYBMUJFWSA-N 1 0 234.387 3.528 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000294923794 385918547 /nfs/dbraw/zinc/91/85/47/385918547.db2.gz YXQAGNJEGQKYFW-ZDUSSCGKSA-N 1 0 234.387 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cnccc1C ZINC000294941955 385922250 /nfs/dbraw/zinc/92/22/50/385922250.db2.gz CHJBJHIECBZAKV-AWEZNQCLSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC000294941960 385921292 /nfs/dbraw/zinc/92/12/92/385921292.db2.gz CHJBJHIECBZAKV-CQSZACIVSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000294943730 385922002 /nfs/dbraw/zinc/92/20/02/385922002.db2.gz CLWDUZMPIQLRKU-AWEZNQCLSA-N 1 0 249.402 3.689 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000294943733 385922711 /nfs/dbraw/zinc/92/27/11/385922711.db2.gz CLWDUZMPIQLRKU-CQSZACIVSA-N 1 0 249.402 3.689 20 0 BHADRO CSCCCCC[NH2+]Cc1csc(C)c1 ZINC000294944771 385325658 /nfs/dbraw/zinc/32/56/58/385325658.db2.gz CXVCLNVQPOMAOW-UHFFFAOYSA-N 1 0 243.441 3.679 20 0 BHADRO CCC(=O)CCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000294956374 168198668 /nfs/dbraw/zinc/19/86/68/168198668.db2.gz MWYYEQDZRMJEET-GFCCVEGCSA-N 1 0 249.354 3.564 20 0 BHADRO CCC(=O)CCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000294956379 168199396 /nfs/dbraw/zinc/19/93/96/168199396.db2.gz MWYYEQDZRMJEET-LBPRGKRZSA-N 1 0 249.354 3.564 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC2=CCCCC2)cn1 ZINC000294962027 385928945 /nfs/dbraw/zinc/92/89/45/385928945.db2.gz KDQMXRXYZROZQR-CYBMUJFWSA-N 1 0 247.386 3.615 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC2=CCCCC2)cn1 ZINC000294962028 385928955 /nfs/dbraw/zinc/92/89/55/385928955.db2.gz KDQMXRXYZROZQR-ZDUSSCGKSA-N 1 0 247.386 3.615 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccncc1 ZINC000294965910 176867883 /nfs/dbraw/zinc/86/78/83/176867883.db2.gz JPQLUASAPPJALB-GXTWGEPZSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000294965913 385339999 /nfs/dbraw/zinc/33/99/99/385339999.db2.gz JPQLUASAPPJALB-JSGCOSHPSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000294965917 385339645 /nfs/dbraw/zinc/33/96/45/385339645.db2.gz JPQLUASAPPJALB-OCCSQVGLSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccncc1 ZINC000294965920 187580441 /nfs/dbraw/zinc/58/04/41/187580441.db2.gz JPQLUASAPPJALB-TZMCWYRMSA-N 1 0 232.371 3.559 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H](C)CCC=C(C)C)cn1 ZINC000294965981 172197973 /nfs/dbraw/zinc/19/79/73/172197973.db2.gz XALAERLEQOUJNX-KBPBESRZSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H](C)CCC=C(C)C)cn1 ZINC000294965986 172197975 /nfs/dbraw/zinc/19/79/75/172197975.db2.gz XALAERLEQOUJNX-KGLIPLIRSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CCC=C(C)C)cn1 ZINC000294965988 172195003 /nfs/dbraw/zinc/19/50/03/172195003.db2.gz XALAERLEQOUJNX-UONOGXRCSA-N 1 0 249.402 3.689 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@H](C)CCC=C(C)C)cn1 ZINC000294965992 172195248 /nfs/dbraw/zinc/19/52/48/172195248.db2.gz XALAERLEQOUJNX-ZIAGYGMSSA-N 1 0 249.402 3.689 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)cs1 ZINC000294969412 385931710 /nfs/dbraw/zinc/93/17/10/385931710.db2.gz FKJJMUGDFURAIT-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)cs1 ZINC000294969413 385931861 /nfs/dbraw/zinc/93/18/61/385931861.db2.gz FKJJMUGDFURAIT-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000294970741 168287011 /nfs/dbraw/zinc/28/70/11/168287011.db2.gz OGWFWNYEIAGHEL-UHFFFAOYSA-N 1 0 233.355 3.510 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(C)(F)F)c1C ZINC000294975615 179181005 /nfs/dbraw/zinc/18/10/05/179181005.db2.gz LJLZQGSYPFAYNK-GFCCVEGCSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(C)(F)F)c1C ZINC000294975620 179194591 /nfs/dbraw/zinc/19/45/91/179194591.db2.gz LJLZQGSYPFAYNK-LBPRGKRZSA-N 1 0 241.325 3.999 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C2CC2)c1 ZINC000294976280 385931767 /nfs/dbraw/zinc/93/17/67/385931767.db2.gz ZSMGIVGMUIHICP-ABAIWWIYSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C2CC2)c1 ZINC000294976282 385930515 /nfs/dbraw/zinc/93/05/15/385930515.db2.gz ZSMGIVGMUIHICP-IAQYHMDHSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1cccc(C2CC2)c1 ZINC000294976285 385931442 /nfs/dbraw/zinc/93/14/42/385931442.db2.gz ZSMGIVGMUIHICP-NHYWBVRUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(C2CC2)c1 ZINC000294976287 385929920 /nfs/dbraw/zinc/92/99/20/385929920.db2.gz ZSMGIVGMUIHICP-XHDPSFHLSA-N 1 0 247.407 3.720 20 0 BHADRO FCC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000294989719 385935168 /nfs/dbraw/zinc/93/51/68/385935168.db2.gz HLBREEOWXJDLNA-UHFFFAOYSA-N 1 0 247.766 3.583 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000295003905 385940115 /nfs/dbraw/zinc/94/01/15/385940115.db2.gz IUOQMUIQNKSTKZ-RWMBFGLXSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000295003910 385942186 /nfs/dbraw/zinc/94/21/86/385942186.db2.gz IUOQMUIQNKSTKZ-YNEHKIRRSA-N 1 0 247.382 3.575 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1cccnc1 ZINC000295014302 176868108 /nfs/dbraw/zinc/86/81/08/176868108.db2.gz MZJSDMCNNYEPLO-GXTWGEPZSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000295014303 176859513 /nfs/dbraw/zinc/85/95/13/176859513.db2.gz MZJSDMCNNYEPLO-JSGCOSHPSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000295014304 385382414 /nfs/dbraw/zinc/38/24/14/385382414.db2.gz MZJSDMCNNYEPLO-OCCSQVGLSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1cccnc1 ZINC000295014305 385381363 /nfs/dbraw/zinc/38/13/63/385381363.db2.gz MZJSDMCNNYEPLO-TZMCWYRMSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000295017449 385943646 /nfs/dbraw/zinc/94/36/46/385943646.db2.gz ZSXSEOHTRRANBE-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000295017451 385945363 /nfs/dbraw/zinc/94/53/63/385945363.db2.gz ZSXSEOHTRRANBE-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)nc2)CCCC1 ZINC000295019421 385944336 /nfs/dbraw/zinc/94/43/36/385944336.db2.gz KJSGRMZATJCPAE-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C(C)=O)cc1 ZINC000295027696 168286708 /nfs/dbraw/zinc/28/67/08/168286708.db2.gz VPGSJEOIVOTQRF-UHFFFAOYSA-N 1 0 233.355 3.510 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccccn1 ZINC000295029793 385388466 /nfs/dbraw/zinc/38/84/66/385388466.db2.gz NUBVBXVNOGZMME-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccccn1 ZINC000295029796 385388412 /nfs/dbraw/zinc/38/84/12/385388412.db2.gz NUBVBXVNOGZMME-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000295041236 188038205 /nfs/dbraw/zinc/03/82/05/188038205.db2.gz MNZMNGRPJSZPFY-AWEZNQCLSA-N 1 0 249.402 3.689 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000295041238 188038781 /nfs/dbraw/zinc/03/87/81/188038781.db2.gz MNZMNGRPJSZPFY-CQSZACIVSA-N 1 0 249.402 3.689 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC000295057724 179495790 /nfs/dbraw/zinc/49/57/90/179495790.db2.gz VCUVCEWOSNZBJQ-CYBMUJFWSA-N 1 0 230.355 3.541 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1=CCCCC1 ZINC000295057727 385955131 /nfs/dbraw/zinc/95/51/31/385955131.db2.gz VCUVCEWOSNZBJQ-ZDUSSCGKSA-N 1 0 230.355 3.541 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1cccnc1 ZINC000295058540 385409913 /nfs/dbraw/zinc/40/99/13/385409913.db2.gz QXOOJNFQJWPGPD-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cccnc1 ZINC000295058543 176840412 /nfs/dbraw/zinc/84/04/12/176840412.db2.gz QXOOJNFQJWPGPD-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2=CCCCC2)cs1 ZINC000295059200 180050029 /nfs/dbraw/zinc/05/00/29/180050029.db2.gz VFXBFFZDOKWHSZ-JTQLQIEISA-N 1 0 236.384 3.603 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2=CCCCC2)cs1 ZINC000295059202 180034903 /nfs/dbraw/zinc/03/49/03/180034903.db2.gz VFXBFFZDOKWHSZ-SNVBAGLBSA-N 1 0 236.384 3.603 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)cnc1Cl ZINC000295095562 169379554 /nfs/dbraw/zinc/37/95/54/169379554.db2.gz JVGXFAUATBDCLJ-LLVKDONJSA-N 1 0 244.741 3.542 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)cnc1Cl ZINC000295095563 385962459 /nfs/dbraw/zinc/96/24/59/385962459.db2.gz JVGXFAUATBDCLJ-NSHDSACASA-N 1 0 244.741 3.542 20 0 BHADRO CCC1([NH2+]Cc2cccnc2Cl)CCCC1 ZINC000295102670 385966472 /nfs/dbraw/zinc/96/64/72/385966472.db2.gz TWDHZMLMGNLJSW-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1CCC(CF)CC1 ZINC000295103334 177042016 /nfs/dbraw/zinc/04/20/16/177042016.db2.gz HJOHXNAJXCXXOG-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1CCC(CF)CC1 ZINC000295103337 176025684 /nfs/dbraw/zinc/02/56/84/176025684.db2.gz HJOHXNAJXCXXOG-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccccn1 ZINC000295106817 388408885 /nfs/dbraw/zinc/40/88/85/388408885.db2.gz WVVCUOOQTGERDK-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccccn1 ZINC000295106820 388409081 /nfs/dbraw/zinc/40/90/81/388409081.db2.gz WVVCUOOQTGERDK-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000295110206 188394020 /nfs/dbraw/zinc/39/40/20/188394020.db2.gz VHPPBWNPLPIFKD-CYBMUJFWSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000295110208 385970701 /nfs/dbraw/zinc/97/07/01/385970701.db2.gz VHPPBWNPLPIFKD-ZDUSSCGKSA-N 1 0 245.366 3.510 20 0 BHADRO FCC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000295122390 385973433 /nfs/dbraw/zinc/97/34/33/385973433.db2.gz WUHFOJSLDAMEHK-UHFFFAOYSA-N 1 0 247.766 3.583 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccncc1C ZINC000295137177 188038501 /nfs/dbraw/zinc/03/85/01/188038501.db2.gz YXZYFWXGZBJEFR-AWEZNQCLSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccncc1C ZINC000295137178 188393828 /nfs/dbraw/zinc/39/38/28/188393828.db2.gz YXZYFWXGZBJEFR-CQSZACIVSA-N 1 0 232.371 3.615 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(CF)CC1 ZINC000295147676 177036118 /nfs/dbraw/zinc/03/61/18/177036118.db2.gz NBYKQFMEGONHNF-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(CF)CC1 ZINC000295147680 176017593 /nfs/dbraw/zinc/01/75/93/176017593.db2.gz NBYKQFMEGONHNF-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000295152025 179465674 /nfs/dbraw/zinc/46/56/74/179465674.db2.gz RFJCNYVQAOGAME-CYBMUJFWSA-N 1 0 230.355 3.541 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000295152027 385979330 /nfs/dbraw/zinc/97/93/30/385979330.db2.gz RFJCNYVQAOGAME-ZDUSSCGKSA-N 1 0 230.355 3.541 20 0 BHADRO COCC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000295187776 174117427 /nfs/dbraw/zinc/11/74/27/174117427.db2.gz NSCAZVBRQYWFIV-HLIUYOAVSA-N 1 0 247.382 3.542 20 0 BHADRO COCC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000295188959 174119299 /nfs/dbraw/zinc/11/92/99/174119299.db2.gz NSCAZVBRQYWFIV-VQCLRJIVSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000295190175 352401471 /nfs/dbraw/zinc/40/14/71/352401471.db2.gz XFAGXCFFVOJAJG-SECBINFHSA-N 1 0 244.741 3.542 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000295190176 352401282 /nfs/dbraw/zinc/40/12/82/352401282.db2.gz XFAGXCFFVOJAJG-VIFPVBQESA-N 1 0 244.741 3.542 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000295214147 188393884 /nfs/dbraw/zinc/39/38/84/188393884.db2.gz LXDSMTWPQAYRTM-BFHYXJOUSA-N 1 0 247.386 3.613 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000295214150 188393429 /nfs/dbraw/zinc/39/34/29/188393429.db2.gz LXDSMTWPQAYRTM-MELADBBJSA-N 1 0 247.386 3.613 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000295214151 385993144 /nfs/dbraw/zinc/99/31/44/385993144.db2.gz LXDSMTWPQAYRTM-MJBXVCDLSA-N 1 0 247.386 3.613 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)cs1 ZINC000295345305 386018588 /nfs/dbraw/zinc/01/85/88/386018588.db2.gz IEYMYNUVPXBIMP-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000295351477 386016602 /nfs/dbraw/zinc/01/66/02/386016602.db2.gz NHEIVSDBOFLCEJ-JTQLQIEISA-N 1 0 235.352 3.843 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000295351483 386017912 /nfs/dbraw/zinc/01/79/12/386017912.db2.gz NHEIVSDBOFLCEJ-SNVBAGLBSA-N 1 0 235.352 3.843 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CCC[C@H]2C(C)C)c1 ZINC000295415781 386029329 /nfs/dbraw/zinc/02/93/29/386029329.db2.gz DOHVAOYQBRWPPT-INIZCTEOSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C(C)C)c1 ZINC000295415785 386030495 /nfs/dbraw/zinc/03/04/95/386030495.db2.gz DOHVAOYQBRWPPT-MRXNPFEDSA-N 1 0 245.366 3.510 20 0 BHADRO CC(C)C[N@H+](Cc1csc(Cl)n1)C(C)C ZINC000295417274 346405450 /nfs/dbraw/zinc/40/54/50/346405450.db2.gz DRIALPFPZNDDFZ-UHFFFAOYSA-N 1 0 246.807 3.663 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295482667 168311922 /nfs/dbraw/zinc/31/19/22/168311922.db2.gz RLRAKGZJTMBWNO-UHFFFAOYSA-N 1 0 249.398 3.582 20 0 BHADRO CC[N@H+](Cc1cccc(C(C)=O)c1)C1CCCC1 ZINC000295490932 169909986 /nfs/dbraw/zinc/90/99/86/169909986.db2.gz JVFXBKVITXBJBU-UHFFFAOYSA-N 1 0 245.366 3.654 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295519625 385679943 /nfs/dbraw/zinc/67/99/43/385679943.db2.gz UOLNVXHQNDHMOK-UHFFFAOYSA-N 1 0 249.398 3.582 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](CC(C)C)C2CC2)c1 ZINC000295525486 386047596 /nfs/dbraw/zinc/04/75/96/386047596.db2.gz MURXQJGTJVYSOJ-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@H+](Cc1ccc(C(C)=O)cc1)C1CCCC1 ZINC000295527250 169903937 /nfs/dbraw/zinc/90/39/37/169903937.db2.gz NBPZGKXAMMUETD-UHFFFAOYSA-N 1 0 245.366 3.654 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCCC(C)(F)F ZINC000295578139 388412575 /nfs/dbraw/zinc/41/25/75/388412575.db2.gz BGMNYVDLSBXXHT-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000295583034 385953599 /nfs/dbraw/zinc/95/35/99/385953599.db2.gz BPFOSCJDPRYHKN-CYBMUJFWSA-N 1 0 239.309 3.699 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000295583050 167814508 /nfs/dbraw/zinc/81/45/08/167814508.db2.gz BPFOSCJDPRYHKN-ZDUSSCGKSA-N 1 0 239.309 3.699 20 0 BHADRO CC(F)(F)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000295592058 167814523 /nfs/dbraw/zinc/81/45/23/167814523.db2.gz CCCMUIWBMPBCPE-UHFFFAOYSA-N 1 0 247.716 3.865 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1CC(F)(F)C1 ZINC000295594781 177048633 /nfs/dbraw/zinc/04/86/33/177048633.db2.gz TXTQLJRWVSSEKL-SECBINFHSA-N 1 0 245.338 3.786 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1CC(F)(F)C1 ZINC000295594785 176032840 /nfs/dbraw/zinc/03/28/40/176032840.db2.gz TXTQLJRWVSSEKL-VIFPVBQESA-N 1 0 245.338 3.786 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](CC(C)C)C2CC2)cc1 ZINC000295604455 386061226 /nfs/dbraw/zinc/06/12/26/386061226.db2.gz USEGWZWCBYTZLN-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@H+](Cc1csc(Cl)n1)[C@H](C)C(C)C ZINC000295623829 352419816 /nfs/dbraw/zinc/41/98/16/352419816.db2.gz WPJIOZTZYLRDAG-SECBINFHSA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1csc(Cl)n1)[C@@H](C)C(C)C ZINC000295623831 352420026 /nfs/dbraw/zinc/42/00/26/352420026.db2.gz WPJIOZTZYLRDAG-VIFPVBQESA-N 1 0 246.807 3.663 20 0 BHADRO CCN(CC1CCC(=O)CC1)c1cccc(C)c1 ZINC000295669335 386069420 /nfs/dbraw/zinc/06/94/20/386069420.db2.gz JQOOHSRWTCLSTC-UHFFFAOYSA-N 1 0 245.366 3.581 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295692068 398136079 /nfs/dbraw/zinc/13/60/79/398136079.db2.gz DKYPYUKYGKYKGK-ONEGZZNKSA-N 1 0 242.366 3.527 20 0 BHADRO CCOCCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000295792511 170369175 /nfs/dbraw/zinc/36/91/75/170369175.db2.gz BQNHSOPELMQPTK-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000295792514 170369477 /nfs/dbraw/zinc/36/94/77/170369477.db2.gz BQNHSOPELMQPTK-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000295843745 386092541 /nfs/dbraw/zinc/09/25/41/386092541.db2.gz ARRIEODKNUGSIS-BCPZQOPPSA-N 1 0 249.402 3.563 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000295843748 386092455 /nfs/dbraw/zinc/09/24/55/386092455.db2.gz ARRIEODKNUGSIS-IDVQTMNDSA-N 1 0 249.402 3.563 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)c1ccsc1 ZINC000295867205 170369229 /nfs/dbraw/zinc/36/92/29/170369229.db2.gz GWMFRAUCYMXEFC-CYBMUJFWSA-N 1 0 241.400 3.606 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000295867207 170369456 /nfs/dbraw/zinc/36/94/56/170369456.db2.gz GWMFRAUCYMXEFC-ZDUSSCGKSA-N 1 0 241.400 3.606 20 0 BHADRO CC(F)(F)CCC[NH2+]C/C=C/c1ccccc1 ZINC000295960882 388415307 /nfs/dbraw/zinc/41/53/07/388415307.db2.gz HUZYBWTWTGNLMU-WEVVVXLNSA-N 1 0 239.309 3.725 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)(F)F)ccc1F ZINC000295973937 178020581 /nfs/dbraw/zinc/02/05/81/178020581.db2.gz IYXRRQAMXMAGCU-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC(C)(F)F ZINC000295981909 179289237 /nfs/dbraw/zinc/28/92/37/179289237.db2.gz JOMJNTXIZFSILX-GFCCVEGCSA-N 1 0 241.325 3.561 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC(C)(F)F ZINC000295981914 179291145 /nfs/dbraw/zinc/29/11/45/179291145.db2.gz JOMJNTXIZFSILX-LBPRGKRZSA-N 1 0 241.325 3.561 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295982138 386117140 /nfs/dbraw/zinc/11/71/40/386117140.db2.gz NGFMVXLDYWHPCS-LLVKDONJSA-N 1 0 238.762 3.502 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295982140 386116963 /nfs/dbraw/zinc/11/69/63/386116963.db2.gz NGFMVXLDYWHPCS-NSHDSACASA-N 1 0 238.762 3.502 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccc2occc2c1 ZINC000296003111 398136680 /nfs/dbraw/zinc/13/66/80/398136680.db2.gz KZPJZVPTIWEPEJ-UHFFFAOYSA-N 1 0 239.265 3.568 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CCCC(C)(F)F ZINC000296009550 176642225 /nfs/dbraw/zinc/64/22/25/176642225.db2.gz LOHYDZYBLGXGQV-LLVKDONJSA-N 1 0 245.313 3.626 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CCCC(C)(F)F ZINC000296009553 175687824 /nfs/dbraw/zinc/68/78/24/175687824.db2.gz LOHYDZYBLGXGQV-NSHDSACASA-N 1 0 245.313 3.626 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000296011620 383906488 /nfs/dbraw/zinc/90/64/88/383906488.db2.gz LQVBZWCHPAHSCO-LLVKDONJSA-N 1 0 227.298 3.773 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000296011628 383906994 /nfs/dbraw/zinc/90/69/94/383906994.db2.gz LQVBZWCHPAHSCO-NSHDSACASA-N 1 0 227.298 3.773 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)(F)F)cs1 ZINC000296016691 178020925 /nfs/dbraw/zinc/02/09/25/178020925.db2.gz LZHIPZWJILGHDF-UHFFFAOYSA-N 1 0 233.327 3.582 20 0 BHADRO CC(F)(F)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000296023795 388417299 /nfs/dbraw/zinc/41/72/99/388417299.db2.gz MRHYWSKIKIFJSH-UHFFFAOYSA-N 1 0 247.716 3.865 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)cc1 ZINC000296026166 178604112 /nfs/dbraw/zinc/60/41/12/178604112.db2.gz MWHFPAIRVNEWFZ-UHFFFAOYSA-N 1 0 227.298 3.520 20 0 BHADRO CCOc1ccc(NCC2CC(F)(F)C2)cc1 ZINC000296036860 388416613 /nfs/dbraw/zinc/41/66/13/388416613.db2.gz QLPWCZNOUQHJQV-UHFFFAOYSA-N 1 0 241.281 3.543 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)(F)F)c1F ZINC000296038016 179090807 /nfs/dbraw/zinc/09/08/07/179090807.db2.gz NTZMLGADFCURCD-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(F)F)Cc1ccccc1 ZINC000296050055 175732043 /nfs/dbraw/zinc/73/20/43/175732043.db2.gz ONFNEVHKLKTFCF-GFCCVEGCSA-N 1 0 241.325 3.500 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(F)F)Cc1ccccc1 ZINC000296050057 176680335 /nfs/dbraw/zinc/68/03/35/176680335.db2.gz ONFNEVHKLKTFCF-LBPRGKRZSA-N 1 0 241.325 3.500 20 0 BHADRO Cc1ccsc1C[NH2+]CCCC(C)(F)F ZINC000296050075 387593156 /nfs/dbraw/zinc/59/31/56/387593156.db2.gz ONUYNFPTEWRJBC-UHFFFAOYSA-N 1 0 233.327 3.582 20 0 BHADRO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cs1 ZINC000296050081 386129956 /nfs/dbraw/zinc/12/99/56/386129956.db2.gz OOBSNDZLIFLDAJ-SECBINFHSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cs1 ZINC000296050083 386129658 /nfs/dbraw/zinc/12/96/58/386129658.db2.gz OOBSNDZLIFLDAJ-VIFPVBQESA-N 1 0 245.338 3.534 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)(F)F)c1 ZINC000296052290 179091181 /nfs/dbraw/zinc/09/11/81/179091181.db2.gz OUAZHSWGRGCRAI-UHFFFAOYSA-N 1 0 227.298 3.520 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC(C)(F)F ZINC000296084293 386135601 /nfs/dbraw/zinc/13/56/01/386135601.db2.gz QTBRZUFWKRXGJF-ZRDIBKRKSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@H](C[NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000296086543 388416806 /nfs/dbraw/zinc/41/68/06/388416806.db2.gz QYHAUCVPWOOGNH-GFCCVEGCSA-N 1 0 241.325 3.815 20 0 BHADRO C[C@@H](C[NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000296086546 388417340 /nfs/dbraw/zinc/41/73/40/388417340.db2.gz QYHAUCVPWOOGNH-LBPRGKRZSA-N 1 0 241.325 3.815 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc(C2CC2)c1 ZINC000296096795 386135267 /nfs/dbraw/zinc/13/52/67/386135267.db2.gz RPABXNULOFFMHR-GFCCVEGCSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(C2CC2)c1 ZINC000296096810 386134138 /nfs/dbraw/zinc/13/41/38/386134138.db2.gz RPABXNULOFFMHR-LBPRGKRZSA-N 1 0 240.350 3.743 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCCC(C)(F)F ZINC000296098461 178084903 /nfs/dbraw/zinc/08/49/03/178084903.db2.gz RQJXFFALBOXPRH-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO CC(F)(F)CCC[NH2+]Cc1ccccc1Cl ZINC000296103633 383929850 /nfs/dbraw/zinc/92/98/50/383929850.db2.gz RYFMGBVJMQPILN-UHFFFAOYSA-N 1 0 247.716 3.865 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)cc1F ZINC000296117839 178603855 /nfs/dbraw/zinc/60/38/55/178603855.db2.gz SVDVNVNUGDMILF-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)s1 ZINC000296131836 178604490 /nfs/dbraw/zinc/60/44/90/178604490.db2.gz UOQPWAPVAXLPMT-UHFFFAOYSA-N 1 0 233.327 3.582 20 0 BHADRO Cc1sccc1C[NH2+]CCCC(C)(F)F ZINC000296142226 388418299 /nfs/dbraw/zinc/41/82/99/388418299.db2.gz VGLMLDMDJZOLND-UHFFFAOYSA-N 1 0 233.327 3.582 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000296228456 388418286 /nfs/dbraw/zinc/41/82/86/388418286.db2.gz AGHDRXXLAKPLNM-LLVKDONJSA-N 1 0 243.297 3.682 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCc2occc21 ZINC000296228459 388418211 /nfs/dbraw/zinc/41/82/11/388418211.db2.gz AGHDRXXLAKPLNM-NSHDSACASA-N 1 0 243.297 3.682 20 0 BHADRO CCC1([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000296231227 168499640 /nfs/dbraw/zinc/49/96/40/168499640.db2.gz CBOPAEHSCXLBSY-GFCCVEGCSA-N 1 0 240.350 3.828 20 0 BHADRO CCC1([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000296231230 386153526 /nfs/dbraw/zinc/15/35/26/386153526.db2.gz CBOPAEHSCXLBSY-LBPRGKRZSA-N 1 0 240.350 3.828 20 0 BHADRO CCC1([NH2+]Cc2csc(Cl)n2)CCCC1 ZINC000296239673 386154524 /nfs/dbraw/zinc/15/45/24/386154524.db2.gz KXXXAETYNUNFCQ-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)CC(C)(C)C)cc1 ZINC000296261119 176605762 /nfs/dbraw/zinc/60/57/62/176605762.db2.gz DIUBJYASRLNTMV-CHWSQXEVSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000296261140 386156598 /nfs/dbraw/zinc/15/65/98/386156598.db2.gz DIUBJYASRLNTMV-OLZOCXBDSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1 ZINC000296261160 386157072 /nfs/dbraw/zinc/15/70/72/386157072.db2.gz DIUBJYASRLNTMV-QWHCGFSZSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1 ZINC000296261181 386156447 /nfs/dbraw/zinc/15/64/47/386156447.db2.gz DIUBJYASRLNTMV-STQMWFEESA-N 1 0 249.398 3.654 20 0 BHADRO CC[N@@H+](Cc1cccs1)CC1CC(F)(F)C1 ZINC000296291014 352441186 /nfs/dbraw/zinc/44/11/86/352441186.db2.gz HWNXHTWSRPENEN-UHFFFAOYSA-N 1 0 245.338 3.615 20 0 BHADRO Cc1ccc(C[NH2+]Cc2cccc(C)c2F)s1 ZINC000296298224 388420861 /nfs/dbraw/zinc/42/08/61/388420861.db2.gz FXYBWXUHGYHPCZ-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000296304708 386160746 /nfs/dbraw/zinc/16/07/46/386160746.db2.gz GBTOEUMVKBMHIY-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000296304711 168498519 /nfs/dbraw/zinc/49/85/19/168498519.db2.gz GBTOEUMVKBMHIY-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+]Cc2ccnc(Cl)c2)CCCC1 ZINC000296321439 388422034 /nfs/dbraw/zinc/42/20/34/388422034.db2.gz OVKUYXXANDAPTM-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCC1([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000296321700 168497883 /nfs/dbraw/zinc/49/78/83/168497883.db2.gz GWMFIZABAVBWOF-JTQLQIEISA-N 1 0 209.358 3.650 20 0 BHADRO CCC1([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000296321702 168499870 /nfs/dbraw/zinc/49/98/70/168499870.db2.gz GWMFIZABAVBWOF-SNVBAGLBSA-N 1 0 209.358 3.650 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccsc1 ZINC000296371787 386168822 /nfs/dbraw/zinc/16/88/22/386168822.db2.gz JFSVQERIDIWQER-LLVKDONJSA-N 1 0 209.358 3.731 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccsc1 ZINC000296371792 386168702 /nfs/dbraw/zinc/16/87/02/386168702.db2.gz JFSVQERIDIWQER-NSHDSACASA-N 1 0 209.358 3.731 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000296378516 411480664 /nfs/dbraw/zinc/48/06/64/411480664.db2.gz JMXDSKSDOLXYJS-LVDDQXARSA-N 1 0 240.350 3.852 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000296378522 411480531 /nfs/dbraw/zinc/48/05/31/411480531.db2.gz JMXDSKSDOLXYJS-WXJAXGNASA-N 1 0 240.350 3.852 20 0 BHADRO CCC1([NH2+]Cc2cccc(Cl)n2)CCCC1 ZINC000296400554 168497104 /nfs/dbraw/zinc/49/71/04/168497104.db2.gz TWUCRHYOWFYEPS-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000296421403 411480957 /nfs/dbraw/zinc/48/09/57/411480957.db2.gz LKBCDIZKQXXUGK-GXTWGEPZSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000296421406 411480843 /nfs/dbraw/zinc/48/08/43/411480843.db2.gz LKBCDIZKQXXUGK-JSGCOSHPSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000296421409 191645231 /nfs/dbraw/zinc/64/52/31/191645231.db2.gz LKBCDIZKQXXUGK-OCCSQVGLSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000296421413 191645217 /nfs/dbraw/zinc/64/52/17/191645217.db2.gz LKBCDIZKQXXUGK-TZMCWYRMSA-N 1 0 249.402 3.514 20 0 BHADRO CCC1([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000296439056 386174476 /nfs/dbraw/zinc/17/44/76/386174476.db2.gz MFEKIMBYKVXDCC-JTQLQIEISA-N 1 0 209.358 3.650 20 0 BHADRO CCC1([NH2+][C@H](C)c2sccc2C)CC1 ZINC000296439058 386174206 /nfs/dbraw/zinc/17/42/06/386174206.db2.gz MFEKIMBYKVXDCC-SNVBAGLBSA-N 1 0 209.358 3.650 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000296442830 386174976 /nfs/dbraw/zinc/17/49/76/386174976.db2.gz MKGJPEHGSDOFEV-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO CCC1([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000296442833 168499648 /nfs/dbraw/zinc/49/96/48/168499648.db2.gz MKGJPEHGSDOFEV-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO CCC1([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000296452860 386174423 /nfs/dbraw/zinc/17/44/23/386174423.db2.gz MVQOPWUUQQALEZ-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000296452864 386173763 /nfs/dbraw/zinc/17/37/63/386173763.db2.gz MVQOPWUUQQALEZ-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CSC1(CNc2ccc3c[nH+]ccc3c2)CC1 ZINC000296470284 175455412 /nfs/dbraw/zinc/45/54/12/175455412.db2.gz HKBSPVJOAZKVST-UHFFFAOYSA-N 1 0 244.363 3.542 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccsc1 ZINC000296487898 386176821 /nfs/dbraw/zinc/17/68/21/386176821.db2.gz PMEUNKDBLPTVPW-JTQLQIEISA-N 1 0 231.311 3.587 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccsc1 ZINC000296487901 386176318 /nfs/dbraw/zinc/17/63/18/386176318.db2.gz PMEUNKDBLPTVPW-SNVBAGLBSA-N 1 0 231.311 3.587 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)C2CCCCC2)c1 ZINC000296533043 386182357 /nfs/dbraw/zinc/18/23/57/386182357.db2.gz NJRWMZTWCFVUMH-UHFFFAOYSA-N 1 0 245.366 3.654 20 0 BHADRO c1cc2cc(NC3CCSCC3)ccc2c[nH+]1 ZINC000296539940 183374662 /nfs/dbraw/zinc/37/46/62/183374662.db2.gz MAMYXYUEIGMVJY-UHFFFAOYSA-N 1 0 244.363 3.542 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000296557463 386184348 /nfs/dbraw/zinc/18/43/48/386184348.db2.gz RZPYUQWLTBJCFK-NEPJUHHUSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000296557469 191644782 /nfs/dbraw/zinc/64/47/82/191644782.db2.gz RZPYUQWLTBJCFK-NWDGAFQWSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000296557474 386185950 /nfs/dbraw/zinc/18/59/50/386185950.db2.gz RZPYUQWLTBJCFK-RYUDHWBXSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000296557478 386184524 /nfs/dbraw/zinc/18/45/24/386184524.db2.gz RZPYUQWLTBJCFK-VXGBXAGGSA-N 1 0 238.400 3.929 20 0 BHADRO CCC1([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000296564417 386184162 /nfs/dbraw/zinc/18/41/62/386184162.db2.gz SLXFGUMHXJJGHI-GFCCVEGCSA-N 1 0 233.380 3.756 20 0 BHADRO CCC1([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000296564420 386185386 /nfs/dbraw/zinc/18/53/86/386185386.db2.gz SLXFGUMHXJJGHI-LBPRGKRZSA-N 1 0 233.380 3.756 20 0 BHADRO c1cc2cc(N[C@H]3CCCSC3)ccc2c[nH+]1 ZINC000296571302 183375118 /nfs/dbraw/zinc/37/51/18/183375118.db2.gz OPWCNLNLFLLCLG-AWEZNQCLSA-N 1 0 244.363 3.542 20 0 BHADRO c1cc2cc(N[C@@H]3CCCSC3)ccc2c[nH+]1 ZINC000296571305 183374545 /nfs/dbraw/zinc/37/45/45/183374545.db2.gz OPWCNLNLFLLCLG-CQSZACIVSA-N 1 0 244.363 3.542 20 0 BHADRO CCC[N@@H+](Cc1ccc(C(C)=O)cc1)CC1CC1 ZINC000296589015 169175602 /nfs/dbraw/zinc/17/56/02/169175602.db2.gz RUGXZZFWSNYZQK-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CC1CC(F)(F)C1 ZINC000296590346 177037540 /nfs/dbraw/zinc/03/75/40/177037540.db2.gz RWNQWTGACRCUSR-LLVKDONJSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CC1CC(F)(F)C1 ZINC000296590349 176020487 /nfs/dbraw/zinc/02/04/87/176020487.db2.gz RWNQWTGACRCUSR-NSHDSACASA-N 1 0 239.309 3.725 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1cccc(C)c1F ZINC000296597202 384195960 /nfs/dbraw/zinc/19/59/60/384195960.db2.gz YCHFWQUEUMBMTD-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)CO)c1ccccc1 ZINC000296602385 582678646 /nfs/dbraw/zinc/67/86/46/582678646.db2.gz VSKGPPHPKZHRFE-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)CO)c1ccccc1 ZINC000296602387 169399748 /nfs/dbraw/zinc/39/97/48/169399748.db2.gz VSKGPPHPKZHRFE-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000296605559 538025052 /nfs/dbraw/zinc/02/50/52/538025052.db2.gz VYSHIVMMUVBPDB-GXTWGEPZSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000296605561 188572450 /nfs/dbraw/zinc/57/24/50/188572450.db2.gz VYSHIVMMUVBPDB-JSGCOSHPSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000296605563 188040184 /nfs/dbraw/zinc/04/01/84/188040184.db2.gz VYSHIVMMUVBPDB-OCCSQVGLSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000296605566 398139365 /nfs/dbraw/zinc/13/93/65/398139365.db2.gz VYSHIVMMUVBPDB-TZMCWYRMSA-N 1 0 247.386 3.571 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000296608770 487790602 /nfs/dbraw/zinc/79/06/02/487790602.db2.gz WEGHDBGUQRJRAG-JTQLQIEISA-N 1 0 209.358 3.650 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000296608771 487790607 /nfs/dbraw/zinc/79/06/07/487790607.db2.gz WEGHDBGUQRJRAG-SNVBAGLBSA-N 1 0 209.358 3.650 20 0 BHADRO CCC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC1 ZINC000296614773 169176365 /nfs/dbraw/zinc/17/63/65/169176365.db2.gz UJVIZLWRYGPOFR-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1C ZINC000296620037 179183373 /nfs/dbraw/zinc/18/33/73/179183373.db2.gz WUEXSMGRZGTJFY-GXTWGEPZSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1C ZINC000296620039 179196479 /nfs/dbraw/zinc/19/64/79/179196479.db2.gz WUEXSMGRZGTJFY-JSGCOSHPSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c1C ZINC000296620042 179198061 /nfs/dbraw/zinc/19/80/61/179198061.db2.gz WUEXSMGRZGTJFY-OCCSQVGLSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c1C ZINC000296620046 179183327 /nfs/dbraw/zinc/18/33/27/179183327.db2.gz WUEXSMGRZGTJFY-TZMCWYRMSA-N 1 0 249.398 3.504 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000296624196 169365359 /nfs/dbraw/zinc/36/53/59/169365359.db2.gz VCJMMJLBJLGZKE-GFCCVEGCSA-N 1 0 233.355 3.510 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000296624197 398139748 /nfs/dbraw/zinc/13/97/48/398139748.db2.gz VCJMMJLBJLGZKE-LBPRGKRZSA-N 1 0 233.355 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000296624301 188040276 /nfs/dbraw/zinc/04/02/76/188040276.db2.gz VEYZTYWXOOJBAM-UHFFFAOYSA-N 1 0 245.366 3.654 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CCCO)c1ccccc1 ZINC000296636769 388425433 /nfs/dbraw/zinc/42/54/33/388425433.db2.gz XUVGZEZCBFEWIA-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccccc1 ZINC000296636771 384225249 /nfs/dbraw/zinc/22/52/49/384225249.db2.gz XUVGZEZCBFEWIA-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CCCO)c1ccccc1 ZINC000296636774 384225786 /nfs/dbraw/zinc/22/57/86/384225786.db2.gz XUVGZEZCBFEWIA-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CCCO)c1ccccc1 ZINC000296636776 169510820 /nfs/dbraw/zinc/51/08/20/169510820.db2.gz XUVGZEZCBFEWIA-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCCO)c1cccc(C)c1 ZINC000296637955 364785502 /nfs/dbraw/zinc/78/55/02/364785502.db2.gz XWYGOSBAVDYUGN-GDBMZVCRSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc(C)c1 ZINC000296637959 364785176 /nfs/dbraw/zinc/78/51/76/364785176.db2.gz XWYGOSBAVDYUGN-GOEBONIOSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCCO)c1cccc(C)c1 ZINC000296637961 171535839 /nfs/dbraw/zinc/53/58/39/171535839.db2.gz XWYGOSBAVDYUGN-HOCLYGCPSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCCO)c1cccc(C)c1 ZINC000296637963 388425024 /nfs/dbraw/zinc/42/50/24/388425024.db2.gz XWYGOSBAVDYUGN-ZBFHGGJFSA-N 1 0 249.398 3.587 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1 ZINC000296639387 176842574 /nfs/dbraw/zinc/84/25/74/176842574.db2.gz BZZGUMQJRJHQAX-JTQLQIEISA-N 1 0 245.288 3.912 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1 ZINC000296639390 388425147 /nfs/dbraw/zinc/42/51/47/388425147.db2.gz BZZGUMQJRJHQAX-SNVBAGLBSA-N 1 0 245.288 3.912 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000296643893 386190921 /nfs/dbraw/zinc/19/09/21/386190921.db2.gz YHIKMSRHFUBOAV-JARNTUPDSA-N 1 0 238.400 3.631 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1sc(CC)nc1C ZINC000296643894 386191137 /nfs/dbraw/zinc/19/11/37/386191137.db2.gz YHIKMSRHFUBOAV-QROSGCPLSA-N 1 0 238.400 3.631 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccncc1 ZINC000296643920 384227353 /nfs/dbraw/zinc/22/73/53/384227353.db2.gz YHTVIWLMLKGSAT-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccncc1 ZINC000296643922 176834074 /nfs/dbraw/zinc/83/40/74/176834074.db2.gz YHTVIWLMLKGSAT-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000296656939 386191640 /nfs/dbraw/zinc/19/16/40/386191640.db2.gz ZKNOLNBUTXEAAK-NEPJUHHUSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000296656940 386191903 /nfs/dbraw/zinc/19/19/03/386191903.db2.gz ZKNOLNBUTXEAAK-NWDGAFQWSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000296656941 386192230 /nfs/dbraw/zinc/19/22/30/386192230.db2.gz ZKNOLNBUTXEAAK-RYUDHWBXSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000296656942 386190783 /nfs/dbraw/zinc/19/07/83/386190783.db2.gz ZKNOLNBUTXEAAK-VXGBXAGGSA-N 1 0 238.400 3.929 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C(C)=O)cc1 ZINC000296657803 169364617 /nfs/dbraw/zinc/36/46/17/169364617.db2.gz YAEQASVCOXWLIP-GFCCVEGCSA-N 1 0 233.355 3.510 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(C(C)=O)cc1 ZINC000296657812 386192108 /nfs/dbraw/zinc/19/21/08/386192108.db2.gz YAEQASVCOXWLIP-LBPRGKRZSA-N 1 0 233.355 3.510 20 0 BHADRO CCc1ccccc1N[C@@H](C)c1nccn1CC ZINC000296781430 386200874 /nfs/dbraw/zinc/20/08/74/386200874.db2.gz KUGUTAHACRIWDQ-LBPRGKRZSA-N 1 0 243.354 3.639 20 0 BHADRO FC1(F)CC(CNc2ccc3c[nH+]ccc3c2)C1 ZINC000297047482 386221683 /nfs/dbraw/zinc/22/16/83/386221683.db2.gz VLSWQRCYNBJVTD-UHFFFAOYSA-N 1 0 248.276 3.692 20 0 BHADRO CC(C)([NH2+]CC1CC(F)(F)C1)c1ccccc1 ZINC000297125999 388427669 /nfs/dbraw/zinc/42/76/69/388427669.db2.gz MTVKHDUHGYOMIY-UHFFFAOYSA-N 1 0 239.309 3.557 20 0 BHADRO FCCCCCNc1ccc2c[nH+]ccc2c1 ZINC000297144834 386227276 /nfs/dbraw/zinc/22/72/76/386227276.db2.gz ZRCUCTRHJHZVIB-UHFFFAOYSA-N 1 0 232.302 3.787 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000297165936 388428990 /nfs/dbraw/zinc/42/89/90/388428990.db2.gz DCZXEEPHZVNBFW-JTQLQIEISA-N 1 0 231.286 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000297165940 388428413 /nfs/dbraw/zinc/42/84/13/388428413.db2.gz DCZXEEPHZVNBFW-SNVBAGLBSA-N 1 0 231.286 3.674 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCC(C)(F)F)cs1 ZINC000297174830 180035271 /nfs/dbraw/zinc/03/52/71/180035271.db2.gz DOLSPYSZEIWEFC-MRVPVSSYSA-N 1 0 248.342 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCC(C)(F)F)cs1 ZINC000297174835 180049880 /nfs/dbraw/zinc/04/98/80/180049880.db2.gz DOLSPYSZEIWEFC-QMMMGPOBSA-N 1 0 248.342 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000297202040 386233366 /nfs/dbraw/zinc/23/33/66/386233366.db2.gz GBEXVOIZWIJUHQ-JTQLQIEISA-N 1 0 245.313 3.928 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000297202043 386233189 /nfs/dbraw/zinc/23/31/89/386233189.db2.gz GBEXVOIZWIJUHQ-SNVBAGLBSA-N 1 0 245.313 3.928 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CC(F)(F)C2)s1 ZINC000297283387 386239233 /nfs/dbraw/zinc/23/92/33/386239233.db2.gz XMPVQMGCWPAWJP-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(F)F ZINC000297288777 177391375 /nfs/dbraw/zinc/39/13/75/177391375.db2.gz LSCSFKLXBSRGFH-GWCFXTLKSA-N 1 0 239.309 3.555 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(C)(F)F ZINC000297288780 177390434 /nfs/dbraw/zinc/39/04/34/177390434.db2.gz LSCSFKLXBSRGFH-GXFFZTMASA-N 1 0 239.309 3.555 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(F)F ZINC000297288782 386239187 /nfs/dbraw/zinc/23/91/87/386239187.db2.gz LSCSFKLXBSRGFH-MFKMUULPSA-N 1 0 239.309 3.555 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(C)(F)F ZINC000297288784 176452501 /nfs/dbraw/zinc/45/25/01/176452501.db2.gz LSCSFKLXBSRGFH-ZWNOBZJWSA-N 1 0 239.309 3.555 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)cs1 ZINC000297290794 178222726 /nfs/dbraw/zinc/22/27/26/178222726.db2.gz LWBSQBSAUCWXRX-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC(F)(F)C2)cs1 ZINC000297290801 178246892 /nfs/dbraw/zinc/24/68/92/178246892.db2.gz LWBSQBSAUCWXRX-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(C)(F)F)oc1C ZINC000297292796 178247245 /nfs/dbraw/zinc/24/72/45/178247245.db2.gz LWZVCKFMZJKOGF-JTQLQIEISA-N 1 0 245.313 3.982 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(C)(F)F)oc1C ZINC000297292802 178223910 /nfs/dbraw/zinc/22/39/10/178223910.db2.gz LWZVCKFMZJKOGF-SNVBAGLBSA-N 1 0 245.313 3.982 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(C)(F)F)c(C)o1 ZINC000297307165 178246917 /nfs/dbraw/zinc/24/69/17/178246917.db2.gz MQOVXLHWNRXHPH-JTQLQIEISA-N 1 0 245.313 3.982 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(C)(F)F)c(C)o1 ZINC000297307166 178225349 /nfs/dbraw/zinc/22/53/49/178225349.db2.gz MQOVXLHWNRXHPH-SNVBAGLBSA-N 1 0 245.313 3.982 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccccc1 ZINC000297311795 388428921 /nfs/dbraw/zinc/42/89/21/388428921.db2.gz MXSIOTBTYHVOGL-GDBMZVCRSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccccc1 ZINC000297311799 388428994 /nfs/dbraw/zinc/42/89/94/388428994.db2.gz MXSIOTBTYHVOGL-GOEBONIOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)CCO)c1ccccc1 ZINC000297311804 388429020 /nfs/dbraw/zinc/42/90/20/388429020.db2.gz MXSIOTBTYHVOGL-HOCLYGCPSA-N 1 0 249.398 3.526 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccccc1 ZINC000297311807 388428940 /nfs/dbraw/zinc/42/89/40/388428940.db2.gz MXSIOTBTYHVOGL-ZBFHGGJFSA-N 1 0 249.398 3.526 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)o1 ZINC000297353977 411481943 /nfs/dbraw/zinc/48/19/43/411481943.db2.gz PITBKSKBYNWTEX-SECBINFHSA-N 1 0 231.286 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(C)(F)F)o1 ZINC000297353981 411481845 /nfs/dbraw/zinc/48/18/45/411481845.db2.gz PITBKSKBYNWTEX-VIFPVBQESA-N 1 0 231.286 3.538 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccsc1 ZINC000297430477 388429415 /nfs/dbraw/zinc/42/94/15/388429415.db2.gz VGHYVQWWUDTCQR-LLVKDONJSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccsc1 ZINC000297430478 171517945 /nfs/dbraw/zinc/51/79/45/171517945.db2.gz VGHYVQWWUDTCQR-NSHDSACASA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(F)c1 ZINC000297442502 388429208 /nfs/dbraw/zinc/42/92/08/388429208.db2.gz WFPHCEGCXWDNGJ-JTQLQIEISA-N 1 0 245.288 3.912 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(F)c1 ZINC000297442503 388429606 /nfs/dbraw/zinc/42/96/06/388429606.db2.gz WFPHCEGCXWDNGJ-SNVBAGLBSA-N 1 0 245.288 3.912 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccsc1 ZINC000297457818 388429861 /nfs/dbraw/zinc/42/98/61/388429861.db2.gz XMXFFOWIVZMHPZ-SECBINFHSA-N 1 0 233.327 3.834 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccsc1 ZINC000297457821 388429259 /nfs/dbraw/zinc/42/92/59/388429259.db2.gz XMXFFOWIVZMHPZ-VIFPVBQESA-N 1 0 233.327 3.834 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(O)c2)cs1 ZINC000297642880 178228696 /nfs/dbraw/zinc/22/86/96/178228696.db2.gz JTSZUNRCUZXNOG-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(O)c2)cs1 ZINC000297642883 178251523 /nfs/dbraw/zinc/25/15/23/178251523.db2.gz JTSZUNRCUZXNOG-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO CCC[N@H+](CC(C)C)[C@H](C)c1cccnc1 ZINC000297703559 169105866 /nfs/dbraw/zinc/10/58/66/169105866.db2.gz ALMVQIXQZIHEOM-CYBMUJFWSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[N@H+](CC(C)C)[C@@H](C)c1cccnc1 ZINC000297703561 169105402 /nfs/dbraw/zinc/10/54/02/169105402.db2.gz ALMVQIXQZIHEOM-ZDUSSCGKSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccsc1 ZINC000297895493 388433051 /nfs/dbraw/zinc/43/30/51/388433051.db2.gz VVGXIWWVMBLRKV-AWEZNQCLSA-N 1 0 247.363 3.695 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccsc1 ZINC000297895497 364788126 /nfs/dbraw/zinc/78/81/26/364788126.db2.gz VVGXIWWVMBLRKV-CQSZACIVSA-N 1 0 247.363 3.695 20 0 BHADRO CCC[N@H+](CC(C)C)[C@H](C)c1ccccn1 ZINC000298150915 169106453 /nfs/dbraw/zinc/10/64/53/169106453.db2.gz OXIUVNLYMXGCCL-CYBMUJFWSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[N@H+](CC(C)C)[C@@H](C)c1ccccn1 ZINC000298150917 169106428 /nfs/dbraw/zinc/10/64/28/169106428.db2.gz OXIUVNLYMXGCCL-ZDUSSCGKSA-N 1 0 220.360 3.511 20 0 BHADRO CC(C)[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000298327406 188040696 /nfs/dbraw/zinc/04/06/96/188040696.db2.gz WWPDRZCKSZEMJF-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000298713947 169198260 /nfs/dbraw/zinc/19/82/60/169198260.db2.gz IKYRRMBSSUURMN-GFCCVEGCSA-N 1 0 246.379 3.843 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000298713955 169199464 /nfs/dbraw/zinc/19/94/64/169199464.db2.gz IKYRRMBSSUURMN-LBPRGKRZSA-N 1 0 246.379 3.843 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000298718931 169085782 /nfs/dbraw/zinc/08/57/82/169085782.db2.gz NDMPFUKEKBMWGS-JTQLQIEISA-N 1 0 234.368 3.699 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000298718938 169087230 /nfs/dbraw/zinc/08/72/30/169087230.db2.gz NDMPFUKEKBMWGS-SNVBAGLBSA-N 1 0 234.368 3.699 20 0 BHADRO CC[N@H+](Cc1cc(-c2ccccc2)no1)C(C)C ZINC000298719060 352510833 /nfs/dbraw/zinc/51/08/33/352510833.db2.gz JPWORUHNGMQOCO-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccccc2)s1 ZINC000298769755 180140914 /nfs/dbraw/zinc/14/09/14/180140914.db2.gz OFNHYLKDAMPWRY-LLVKDONJSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ncc(C[N@@H+](C)[C@@H](C)c2ccccc2)s1 ZINC000298769757 180140889 /nfs/dbraw/zinc/14/08/89/180140889.db2.gz OFNHYLKDAMPWRY-NSHDSACASA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298787006 179275277 /nfs/dbraw/zinc/27/52/77/179275277.db2.gz WBXKVSSCNLQGQK-INIZCTEOSA-N 1 0 240.350 3.660 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298787012 179274586 /nfs/dbraw/zinc/27/45/86/179274586.db2.gz WBXKVSSCNLQGQK-MRXNPFEDSA-N 1 0 240.350 3.660 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000299007468 386402429 /nfs/dbraw/zinc/40/24/29/386402429.db2.gz NDOAHHHFTSDVKN-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000299007471 386401613 /nfs/dbraw/zinc/40/16/13/386401613.db2.gz NDOAHHHFTSDVKN-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)Cc1ccccn1 ZINC000299007719 386402897 /nfs/dbraw/zinc/40/28/97/386402897.db2.gz ARXNRKHEVZALFC-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)o1 ZINC000299316031 386440839 /nfs/dbraw/zinc/44/08/39/386440839.db2.gz GNMPGABSAYWZTJ-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)o1 ZINC000299316034 188574568 /nfs/dbraw/zinc/57/45/68/188574568.db2.gz GNMPGABSAYWZTJ-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO CCC[N@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC000299364345 169129327 /nfs/dbraw/zinc/12/93/27/169129327.db2.gz FMGOCDKEVPXBMS-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CCC[N@H+](CC)Cc1ncc(-c2ccccc2)o1 ZINC000299376502 169131467 /nfs/dbraw/zinc/13/14/67/169131467.db2.gz MKWIQWWAAJIVGH-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CC[N@H+](CCc1ccccc1)CCC(F)(F)F ZINC000299463027 386455408 /nfs/dbraw/zinc/45/54/08/386455408.db2.gz CMMSMMYQDPMJEW-UHFFFAOYSA-N 1 0 245.288 3.503 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000299480470 179270686 /nfs/dbraw/zinc/27/06/86/179270686.db2.gz CNTYVAUJJAYRHX-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000299480471 179269714 /nfs/dbraw/zinc/26/97/14/179269714.db2.gz CNTYVAUJJAYRHX-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CC(C)[NH+](Cc1cc(-c2ccco2)on1)C(C)C ZINC000299729375 188397180 /nfs/dbraw/zinc/39/71/80/188397180.db2.gz WHDCNALRQFZOKU-UHFFFAOYSA-N 1 0 248.326 3.553 20 0 BHADRO CC(C)C[N@H+](C/C(Cl)=C\Cl)C(C)C ZINC000299736443 634384224 /nfs/dbraw/zinc/38/42/24/634384224.db2.gz NAOJXVLSSKSTTG-BJMVGYQFSA-N 1 0 224.175 3.672 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCSC2)CC1 ZINC000299962772 364824180 /nfs/dbraw/zinc/82/41/80/364824180.db2.gz GCFREYDRNMSASD-MCIONIFRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCSC2)CC1 ZINC000299962774 364824433 /nfs/dbraw/zinc/82/44/33/364824433.db2.gz GCFREYDRNMSASD-RDBSUJKOSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000300000767 323152567 /nfs/dbraw/zinc/15/25/67/323152567.db2.gz PKRJFTRLAGCIFW-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000300000768 384366130 /nfs/dbraw/zinc/36/61/30/384366130.db2.gz PKRJFTRLAGCIFW-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000300010040 386803973 /nfs/dbraw/zinc/80/39/73/386803973.db2.gz CAPIVJHYLCAFCC-LNSITVRQSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000300010042 386803753 /nfs/dbraw/zinc/80/37/53/386803753.db2.gz CAPIVJHYLCAFCC-NJZAAPMLSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC=CCC2)C1 ZINC000300010353 386803064 /nfs/dbraw/zinc/80/30/64/386803064.db2.gz CPJAZXRPVOVSRM-CFVMTHIKSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC=CCC2)C1 ZINC000300010354 386803169 /nfs/dbraw/zinc/80/31/69/386803169.db2.gz CPJAZXRPVOVSRM-QEJZJMRPSA-N 1 0 219.372 3.677 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300011907 529414948 /nfs/dbraw/zinc/41/49/48/529414948.db2.gz NAHKIRCRJNHNGD-FPMFFAJLSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300011908 386802093 /nfs/dbraw/zinc/80/20/93/386802093.db2.gz NAHKIRCRJNHNGD-IACUBPJLSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300012546 592500063 /nfs/dbraw/zinc/50/00/63/592500063.db2.gz 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ZINC000300360542 226369586 /nfs/dbraw/zinc/36/95/86/226369586.db2.gz SXYVUGXYZUDVBA-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300360543 226369498 /nfs/dbraw/zinc/36/94/98/226369498.db2.gz SXYVUGXYZUDVBA-MGPQQGTHSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000300360581 226369611 /nfs/dbraw/zinc/36/96/11/226369611.db2.gz VKZFDBDGMCEMFR-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300360582 226369583 /nfs/dbraw/zinc/36/95/83/226369583.db2.gz VKZFDBDGMCEMFR-MGPQQGTHSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000300361174 533743016 /nfs/dbraw/zinc/74/30/16/533743016.db2.gz BHFHJHPKKXXJNC-LMLFDSFASA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000300361175 533485592 /nfs/dbraw/zinc/48/55/92/533485592.db2.gz BHFHJHPKKXXJNC-RCWTZXSCSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000300361176 533486329 /nfs/dbraw/zinc/48/63/29/533486329.db2.gz BHFHJHPKKXXJNC-VPOLOUISSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000300361177 533742978 /nfs/dbraw/zinc/74/29/78/533742978.db2.gz BHFHJHPKKXXJNC-YTWAJWBKSA-N 1 0 237.309 3.742 20 0 BHADRO CSC1(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000300362934 533512864 /nfs/dbraw/zinc/51/28/64/533512864.db2.gz CZQWBRHGKCDMRG-ITGUQSILSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc(NC[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000300363826 178169540 /nfs/dbraw/zinc/16/95/40/178169540.db2.gz FZUAKGYGJQRWRJ-YPMHNXCESA-N 1 0 218.344 3.628 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300365855 386591317 /nfs/dbraw/zinc/59/13/17/386591317.db2.gz KEXQXXYDKCCKQL-BBBLOLIVSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300365857 386590759 /nfs/dbraw/zinc/59/07/59/386590759.db2.gz KEXQXXYDKCCKQL-OPRDCNLKSA-N 1 0 237.309 3.742 20 0 BHADRO CCCC[C@H](CC)C[NH2+]CC1(SC)CC1 ZINC000300366439 528912780 /nfs/dbraw/zinc/91/27/80/528912780.db2.gz WIPVASFPDJWMHI-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000300369031 592509562 /nfs/dbraw/zinc/50/95/62/592509562.db2.gz QCYFRJADUVSNED-RVMXOQNASA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300369032 592509048 /nfs/dbraw/zinc/50/90/48/592509048.db2.gz QCYFRJADUVSNED-XQHKEYJVSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300369033 592509322 /nfs/dbraw/zinc/50/93/22/592509322.db2.gz QCYFRJADUVSNED-YVECIDJPSA-N 1 0 241.444 3.685 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CCC1 ZINC000300369399 224753935 /nfs/dbraw/zinc/75/39/35/224753935.db2.gz QQNKHTXYTGUVFI-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CCC1 ZINC000300369400 226369623 /nfs/dbraw/zinc/36/96/23/226369623.db2.gz QQNKHTXYTGUVFI-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000300370106 387953974 /nfs/dbraw/zinc/95/39/74/387953974.db2.gz SFRUBXOTCOASTO-ITGUQSILSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CCC1 ZINC000300370108 387954312 /nfs/dbraw/zinc/95/43/12/387954312.db2.gz SGGGCGSFRSCYSK-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CCC1 ZINC000300370109 387954576 /nfs/dbraw/zinc/95/45/76/387954576.db2.gz SGGGCGSFRSCYSK-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CCC1 ZINC000300371575 387955299 /nfs/dbraw/zinc/95/52/99/387955299.db2.gz VTJKRUHQAXZKIH-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CCC1 ZINC000300371577 224813607 /nfs/dbraw/zinc/81/36/07/224813607.db2.gz VTJKRUHQAXZKIH-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](COCC)C(C)C ZINC000300372381 528915228 /nfs/dbraw/zinc/91/52/28/528915228.db2.gz WQEGBOAQQPZJFS-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](COCC)C(C)C ZINC000300372382 528914983 /nfs/dbraw/zinc/91/49/83/528914983.db2.gz WQEGBOAQQPZJFS-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(C)C ZINC000300388563 387952949 /nfs/dbraw/zinc/95/29/49/387952949.db2.gz OGRQLOJCBJOFKI-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(C)C ZINC000300388565 529218037 /nfs/dbraw/zinc/21/80/37/529218037.db2.gz OGRQLOJCBJOFKI-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(C)C ZINC000300388567 387952514 /nfs/dbraw/zinc/95/25/14/387952514.db2.gz OGRQLOJCBJOFKI-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000300390034 592509921 /nfs/dbraw/zinc/50/99/21/592509921.db2.gz QUOSLKCUXVKVFZ-RYUDHWBXSA-N 1 0 241.425 3.512 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)c1ccccc1 ZINC000300404178 387203426 /nfs/dbraw/zinc/20/34/26/387203426.db2.gz DTDRXPICNIBNMN-KKUMJFAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1ccccc1 ZINC000300404179 387204555 /nfs/dbraw/zinc/20/45/55/387204555.db2.gz DTDRXPICNIBNMN-ZNMIVQPWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000300405202 226370116 /nfs/dbraw/zinc/37/01/16/226370116.db2.gz FXFYBAXPKRMYML-YEORSEQZSA-N 1 0 235.346 3.802 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000300405801 592511703 /nfs/dbraw/zinc/51/17/03/592511703.db2.gz YJPMJSSHOXLFQJ-BPLDGKMQSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000300405802 592512159 /nfs/dbraw/zinc/51/21/59/592512159.db2.gz YJPMJSSHOXLFQJ-VHDGCEQUSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000300407174 592511693 /nfs/dbraw/zinc/51/16/93/592511693.db2.gz TYNPENHZFVOGPA-HZSPNIEDSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000300407175 592511653 /nfs/dbraw/zinc/51/16/53/592511653.db2.gz TYNPENHZFVOGPA-MGPQQGTHSA-N 1 0 249.423 3.930 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000300410013 532967621 /nfs/dbraw/zinc/96/76/21/532967621.db2.gz DEUUCBNDVPHQDZ-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000300410014 532966668 /nfs/dbraw/zinc/96/66/68/532966668.db2.gz DEUUCBNDVPHQDZ-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C1CCOCC1 ZINC000300410271 529684128 /nfs/dbraw/zinc/68/41/28/529684128.db2.gz GJJGRUIWOQXRRC-GUTXKFCHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C1CCOCC1 ZINC000300410272 529418744 /nfs/dbraw/zinc/41/87/44/529418744.db2.gz GJJGRUIWOQXRRC-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000300412461 592512088 /nfs/dbraw/zinc/51/20/88/592512088.db2.gz TXWSMUQCKZXGLC-BPLDGKMQSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000300412462 592511788 /nfs/dbraw/zinc/51/17/88/592511788.db2.gz TXWSMUQCKZXGLC-VHDGCEQUSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000300412684 592511550 /nfs/dbraw/zinc/51/15/50/592511550.db2.gz VABMOSRAWMUDTB-GUTXKFCHSA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000300412685 592511728 /nfs/dbraw/zinc/51/17/28/592511728.db2.gz VABMOSRAWMUDTB-NFAWXSAZSA-N 1 0 247.407 3.548 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccccc1OC ZINC000300414445 527868439 /nfs/dbraw/zinc/86/84/39/527868439.db2.gz LWLAYPBSIQOHPH-BPLDGKMQSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccccc1OC ZINC000300414446 527832042 /nfs/dbraw/zinc/83/20/42/527832042.db2.gz LWLAYPBSIQOHPH-YUELXQCFSA-N 1 0 247.382 3.925 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415048 346670054 /nfs/dbraw/zinc/67/00/54/346670054.db2.gz RNBGZKNRCJQXRM-LXTVHRRPSA-N 1 0 241.419 3.891 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300415049 346670067 /nfs/dbraw/zinc/67/00/67/346670067.db2.gz RNBGZKNRCJQXRM-XGUBFFRZSA-N 1 0 241.419 3.891 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[C@H](C)O1 ZINC000300415182 346670100 /nfs/dbraw/zinc/67/01/00/346670100.db2.gz SFZDUIGTNLAEMZ-AGGWBTHJSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000300415367 346670697 /nfs/dbraw/zinc/67/06/97/346670697.db2.gz UTGMKGNQZIUHFG-BTTYYORXSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)C[C@H](C)O1 ZINC000300415562 346670512 /nfs/dbraw/zinc/67/05/12/346670512.db2.gz WGKLLEJNPSOJQM-BTTYYORXSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300415672 490560306 /nfs/dbraw/zinc/56/03/06/490560306.db2.gz YHQCHDVOBWFGRR-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000300415673 490559933 /nfs/dbraw/zinc/55/99/33/490559933.db2.gz YHQCHDVOBWFGRR-ZNMIVQPWSA-N 1 0 241.419 3.893 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc(F)c1F ZINC000300415694 533986420 /nfs/dbraw/zinc/98/64/20/533986420.db2.gz YRKRFEPAMUPZTL-GBIKHYSHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc(F)c1F ZINC000300415695 534003069 /nfs/dbraw/zinc/00/30/69/534003069.db2.gz YRKRFEPAMUPZTL-NRUUGDAUSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000300417310 527931342 /nfs/dbraw/zinc/93/13/42/527931342.db2.gz PXGCKHMWBLIQDC-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000300417311 527930924 /nfs/dbraw/zinc/93/09/24/527930924.db2.gz PXGCKHMWBLIQDC-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300417742 527931243 /nfs/dbraw/zinc/93/12/43/527931243.db2.gz KUILYGKVYORYSS-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000300417743 527930888 /nfs/dbraw/zinc/93/08/88/527930888.db2.gz KUILYGKVYORYSS-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300417804 527930732 /nfs/dbraw/zinc/93/07/32/527930732.db2.gz QHTOBJVWBLLJQZ-FICVDOATSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300418140 358435094 /nfs/dbraw/zinc/43/50/94/358435094.db2.gz HVJADUBXVORUBU-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300418141 170986447 /nfs/dbraw/zinc/98/64/47/170986447.db2.gz HVJADUBXVORUBU-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CCCCO1 ZINC000300418274 529418056 /nfs/dbraw/zinc/41/80/56/529418056.db2.gz MGHJWXWEHAOZDM-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CCCCO1 ZINC000300418275 529683499 /nfs/dbraw/zinc/68/34/99/529683499.db2.gz MGHJWXWEHAOZDM-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000300419133 527931433 /nfs/dbraw/zinc/93/14/33/527931433.db2.gz PSDPATLWUXUOKU-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300419134 527930387 /nfs/dbraw/zinc/93/03/87/527930387.db2.gz PSDPATLWUXUOKU-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000300419923 529418705 /nfs/dbraw/zinc/41/87/05/529418705.db2.gz YNGHGTJGCKBHON-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000300419924 529683914 /nfs/dbraw/zinc/68/39/14/529683914.db2.gz YNGHGTJGCKBHON-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCS[C@H]1C)c1ccccc1 ZINC000300420288 490560665 /nfs/dbraw/zinc/56/06/65/490560665.db2.gz CDNDZOYKSOKHCC-IPYPFGDCSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCS[C@H]1C)c1ccccc1 ZINC000300420289 490560824 /nfs/dbraw/zinc/56/08/24/490560824.db2.gz CDNDZOYKSOKHCC-VNHYZAJKSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000300420402 490560795 /nfs/dbraw/zinc/56/07/95/490560795.db2.gz HSALYQUEQONNDV-CQDKDKBSSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000300420403 490560933 /nfs/dbraw/zinc/56/09/33/490560933.db2.gz HSALYQUEQONNDV-GLQYFDAESA-N 1 0 247.407 3.548 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000300420463 490560838 /nfs/dbraw/zinc/56/08/38/490560838.db2.gz KFPKGQYZMGWINH-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000300420464 490560873 /nfs/dbraw/zinc/56/08/73/490560873.db2.gz KFPKGQYZMGWINH-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420711 527711900 /nfs/dbraw/zinc/71/19/00/527711900.db2.gz QYGMLEIHYUATFY-AXFHLTTASA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420712 527711363 /nfs/dbraw/zinc/71/13/63/527711363.db2.gz QYGMLEIHYUATFY-HBNTYKKESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000300420719 490560753 /nfs/dbraw/zinc/56/07/53/490560753.db2.gz RBJKLFLJQRNCEW-NILFDRSVSA-N 1 0 247.407 3.621 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000300420720 490560887 /nfs/dbraw/zinc/56/08/87/490560887.db2.gz RBJKLFLJQRNCEW-TUKIKUTGSA-N 1 0 247.407 3.621 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(C)cc1 ZINC000300420753 490560988 /nfs/dbraw/zinc/56/09/88/490560988.db2.gz SYJRMRQQGLYXMS-AEGPPILISA-N 1 0 249.423 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(C)cc1 ZINC000300420754 490560799 /nfs/dbraw/zinc/56/07/99/490560799.db2.gz SYJRMRQQGLYXMS-QEJZJMRPSA-N 1 0 249.423 3.930 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c(C)c1 ZINC000300420763 490560804 /nfs/dbraw/zinc/56/08/04/490560804.db2.gz UFXXQWOUWOECHW-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c(C)c1 ZINC000300420764 490560762 /nfs/dbraw/zinc/56/07/62/490560762.db2.gz UFXXQWOUWOECHW-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc1 ZINC000300420783 490560782 /nfs/dbraw/zinc/56/07/82/490560782.db2.gz UXCQVWIOEXBNLM-HUBLWGQQSA-N 1 0 249.423 3.794 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc1 ZINC000300420784 490560980 /nfs/dbraw/zinc/56/09/80/490560980.db2.gz UXCQVWIOEXBNLM-SLEUVZQESA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccccc1 ZINC000300420821 490560673 /nfs/dbraw/zinc/56/06/73/490560673.db2.gz WESGAXFYUUERGJ-CFVMTHIKSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccccc1 ZINC000300420822 490323427 /nfs/dbraw/zinc/32/34/27/490323427.db2.gz WESGAXFYUUERGJ-QEJZJMRPSA-N 1 0 249.423 3.867 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000300420930 226370545 /nfs/dbraw/zinc/37/05/45/226370545.db2.gz AITCBKPVQXNAEZ-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000300420931 533431617 /nfs/dbraw/zinc/43/16/17/533431617.db2.gz AITCBKPVQXNAEZ-RBSFLKMASA-N 1 0 247.382 3.522 20 0 BHADRO CCOC[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(C)C ZINC000300422101 528995614 /nfs/dbraw/zinc/99/56/14/528995614.db2.gz MMBMSKFRQXRGMZ-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(C)C ZINC000300422102 528994367 /nfs/dbraw/zinc/99/43/67/528994367.db2.gz MMBMSKFRQXRGMZ-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000300422219 490561332 /nfs/dbraw/zinc/56/13/32/490561332.db2.gz XAWGSZYACKABJW-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000300422220 490561555 /nfs/dbraw/zinc/56/15/55/490561555.db2.gz XAWGSZYACKABJW-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)[C@H](C[NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000300422541 529012171 /nfs/dbraw/zinc/01/21/71/529012171.db2.gz HSYYWAGJKNPWRG-BMFZPTHFSA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000300422542 529012196 /nfs/dbraw/zinc/01/21/96/529012196.db2.gz HSYYWAGJKNPWRG-KBMXLJTQSA-N 1 0 231.383 3.672 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000300424409 592512550 /nfs/dbraw/zinc/51/25/50/592512550.db2.gz SIXGLAOCMPVWHC-AEGPPILISA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000300424410 592512721 /nfs/dbraw/zinc/51/27/21/592512721.db2.gz SIXGLAOCMPVWHC-NWANDNLSSA-N 1 0 249.423 3.664 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000300515943 490565240 /nfs/dbraw/zinc/56/52/40/490565240.db2.gz DBFNUERDHHSMMF-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC000300515945 490323795 /nfs/dbraw/zinc/32/37/95/490323795.db2.gz DBFNUERDHHSMMF-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)CC2)C1 ZINC000300515946 490565100 /nfs/dbraw/zinc/56/51/00/490565100.db2.gz DBFNUERDHHSMMF-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000300521473 528382539 /nfs/dbraw/zinc/38/25/39/528382539.db2.gz PMKDUFZCAVDSLS-IPYPFGDCSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000300521476 528382911 /nfs/dbraw/zinc/38/29/11/528382911.db2.gz PMKDUFZCAVDSLS-VNHYZAJKSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300534463 176151077 /nfs/dbraw/zinc/15/10/77/176151077.db2.gz CVTCXONCNSBAPE-LYRGGWFBSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300534464 176133215 /nfs/dbraw/zinc/13/32/15/176133215.db2.gz CVTCXONCNSBAPE-RLCCDNCMSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300535354 171391686 /nfs/dbraw/zinc/39/16/86/171391686.db2.gz KBBQJLKHTUWRTK-MKBNYLNASA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000300535355 171367982 /nfs/dbraw/zinc/36/79/82/171367982.db2.gz KBBQJLKHTUWRTK-OZVIIMIRSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536152 176234262 /nfs/dbraw/zinc/23/42/62/176234262.db2.gz PPKWJWADAVBJQW-FFSVYQOJSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536153 176214669 /nfs/dbraw/zinc/21/46/69/176214669.db2.gz PPKWJWADAVBJQW-KFNAQCHYSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C)CC2)CCO1 ZINC000300567818 411123972 /nfs/dbraw/zinc/12/39/72/411123972.db2.gz IEYUSVGOABWTNF-BYNSBNAKSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C)CC2)CCO1 ZINC000300567819 411124143 /nfs/dbraw/zinc/12/41/43/411124143.db2.gz IEYUSVGOABWTNF-GBJTYRQASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CCO1 ZINC000300567820 411124153 /nfs/dbraw/zinc/12/41/53/411124153.db2.gz IEYUSVGOABWTNF-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)CC2)CCO1 ZINC000300590888 347293179 /nfs/dbraw/zinc/29/31/79/347293179.db2.gz LMFPBZLQLMAHPV-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)CC2)CCO1 ZINC000300590889 347292990 /nfs/dbraw/zinc/29/29/90/347292990.db2.gz LMFPBZLQLMAHPV-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000300592572 487522978 /nfs/dbraw/zinc/52/29/78/487522978.db2.gz NAWBBFADPYDCTR-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000300592575 487522999 /nfs/dbraw/zinc/52/29/99/487522999.db2.gz NAWBBFADPYDCTR-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000300592578 487522933 /nfs/dbraw/zinc/52/29/33/487522933.db2.gz NAWBBFADPYDCTR-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000300624226 388382256 /nfs/dbraw/zinc/38/22/56/388382256.db2.gz ZXLGTHUUGOLVKH-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1 ZINC000300624227 388381970 /nfs/dbraw/zinc/38/19/70/388381970.db2.gz ZXLGTHUUGOLVKH-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)CC(F)(F)F)C1 ZINC000300681096 528143109 /nfs/dbraw/zinc/14/31/09/528143109.db2.gz JFCPZMLXKSHYSB-MVWJERBFSA-N 1 0 249.320 3.909 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)CC(F)(F)F)C1 ZINC000300681097 528144525 /nfs/dbraw/zinc/14/45/25/528144525.db2.gz JFCPZMLXKSHYSB-WCQGTBRESA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1C[C@H](C)CC[C@H]1C ZINC000300687881 527931174 /nfs/dbraw/zinc/93/11/74/527931174.db2.gz LQMYYTVHOQKUBE-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000300687883 527931348 /nfs/dbraw/zinc/93/13/48/527931348.db2.gz LQMYYTVHOQKUBE-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000300689068 411125017 /nfs/dbraw/zinc/12/50/17/411125017.db2.gz CYTMWOXPRGMSHQ-RRFJBIMHSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000300689069 411125125 /nfs/dbraw/zinc/12/51/25/411125125.db2.gz CYTMWOXPRGMSHQ-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000300702691 527809691 /nfs/dbraw/zinc/80/96/91/527809691.db2.gz IFBPRVVWTVJYDW-AYRXBEOTSA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000300702694 527806831 /nfs/dbraw/zinc/80/68/31/527806831.db2.gz IFBPRVVWTVJYDW-GBOPCIDUSA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000300702697 527809540 /nfs/dbraw/zinc/80/95/40/527809540.db2.gz IFBPRVVWTVJYDW-QHSBEEBCSA-N 1 0 249.402 3.521 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)c1cn[nH]c1 ZINC000300703059 226371793 /nfs/dbraw/zinc/37/17/93/226371793.db2.gz LILLHGQCXLGJIN-IACUBPJLSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(C)(C)C)c1cn[nH]c1 ZINC000300703062 226371905 /nfs/dbraw/zinc/37/19/05/226371905.db2.gz LILLHGQCXLGJIN-YUTCNCBUSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1ccsc1 ZINC000300739113 188335499 /nfs/dbraw/zinc/33/54/99/188335499.db2.gz AQGIEANLTWYCAT-LLVKDONJSA-N 1 0 211.374 3.520 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1ccsc1 ZINC000300739115 187814476 /nfs/dbraw/zinc/81/44/76/187814476.db2.gz AQGIEANLTWYCAT-NSHDSACASA-N 1 0 211.374 3.520 20 0 BHADRO CC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC000300762899 346501104 /nfs/dbraw/zinc/50/11/04/346501104.db2.gz NKVZHKIADIOABL-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO CCSCCC[NH2+]Cc1cc(C)sc1C ZINC000300765403 349307011 /nfs/dbraw/zinc/30/70/11/349307011.db2.gz CVIVVVKCQWDZBG-UHFFFAOYSA-N 1 0 243.441 3.598 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CCCC(C)(C)C)s1 ZINC000300770803 179646577 /nfs/dbraw/zinc/64/65/77/179646577.db2.gz GLYXBUCUPIYMAS-LLVKDONJSA-N 1 0 240.416 3.928 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCC(C)(C)C)n1 ZINC000300784680 384924213 /nfs/dbraw/zinc/92/42/13/384924213.db2.gz WHXFCHSDJZELTP-LLVKDONJSA-N 1 0 240.416 3.928 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCC(C)(C)C)n1 ZINC000300784683 384924428 /nfs/dbraw/zinc/92/44/28/384924428.db2.gz WHXFCHSDJZELTP-NSHDSACASA-N 1 0 240.416 3.928 20 0 BHADRO CC(C)(C)CCC[NH2+]C(C)(C)c1nccs1 ZINC000300786424 384925270 /nfs/dbraw/zinc/92/52/70/384925270.db2.gz XSARSKKPBDKQCS-UHFFFAOYSA-N 1 0 240.416 3.794 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300786515 528637373 /nfs/dbraw/zinc/63/73/73/528637373.db2.gz BEWSARDBFWRPGF-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300786516 528636558 /nfs/dbraw/zinc/63/65/58/528636558.db2.gz BEWSARDBFWRPGF-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300790563 592519912 /nfs/dbraw/zinc/51/99/12/592519912.db2.gz BXVGZPKGVMHWRE-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300791420 592519708 /nfs/dbraw/zinc/51/97/08/592519708.db2.gz BXVGZPKGVMHWRE-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300791422 592519892 /nfs/dbraw/zinc/51/98/92/592519892.db2.gz BXVGZPKGVMHWRE-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300791424 592519965 /nfs/dbraw/zinc/51/99/65/592519965.db2.gz BXVGZPKGVMHWRE-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300791524 528993769 /nfs/dbraw/zinc/99/37/69/528993769.db2.gz CACKWIWWNDSXHO-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300791526 528971063 /nfs/dbraw/zinc/97/10/63/528971063.db2.gz CACKWIWWNDSXHO-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300791528 528970525 /nfs/dbraw/zinc/97/05/25/528970525.db2.gz CACKWIWWNDSXHO-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300791530 528993798 /nfs/dbraw/zinc/99/37/98/528993798.db2.gz CACKWIWWNDSXHO-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000300793518 226372292 /nfs/dbraw/zinc/37/22/92/226372292.db2.gz CNLABRNVTQZDNN-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000300793519 534423386 /nfs/dbraw/zinc/42/33/86/534423386.db2.gz CNLABRNVTQZDNN-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300798568 528923441 /nfs/dbraw/zinc/92/34/41/528923441.db2.gz DMNDRICAUSAELO-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300798569 528104584 /nfs/dbraw/zinc/10/45/84/528104584.db2.gz DMNDRICAUSAELO-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300798570 528104599 /nfs/dbraw/zinc/10/45/99/528104599.db2.gz DMNDRICAUSAELO-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300798571 528923530 /nfs/dbraw/zinc/92/35/30/528923530.db2.gz DMNDRICAUSAELO-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000300800320 168163616 /nfs/dbraw/zinc/16/36/16/168163616.db2.gz DVPDXVMAUWUXHV-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000300800322 168163331 /nfs/dbraw/zinc/16/33/31/168163331.db2.gz DVPDXVMAUWUXHV-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300803124 533505721 /nfs/dbraw/zinc/50/57/21/533505721.db2.gz DEEKPDDWPKPPMA-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300803125 533505327 /nfs/dbraw/zinc/50/53/27/533505327.db2.gz DEEKPDDWPKPPMA-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300803126 533767938 /nfs/dbraw/zinc/76/79/38/533767938.db2.gz DEEKPDDWPKPPMA-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300803127 533765346 /nfs/dbraw/zinc/76/53/46/533765346.db2.gz DEEKPDDWPKPPMA-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300809683 527669322 /nfs/dbraw/zinc/66/93/22/527669322.db2.gz DYXVKSWKILGIMN-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300809684 527671165 /nfs/dbraw/zinc/67/11/65/527671165.db2.gz DYXVKSWKILGIMN-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300815053 527704927 /nfs/dbraw/zinc/70/49/27/527704927.db2.gz FQNQZTRANGWJSD-GFCCVEGCSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300815054 527704875 /nfs/dbraw/zinc/70/48/75/527704875.db2.gz FQNQZTRANGWJSD-LBPRGKRZSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300822099 528105440 /nfs/dbraw/zinc/10/54/40/528105440.db2.gz GJUIAXWANPFYMA-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300822101 528922831 /nfs/dbraw/zinc/92/28/31/528922831.db2.gz GJUIAXWANPFYMA-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300822103 528104919 /nfs/dbraw/zinc/10/49/19/528104919.db2.gz GJUIAXWANPFYMA-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300822105 528923447 /nfs/dbraw/zinc/92/34/47/528923447.db2.gz GJUIAXWANPFYMA-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000300824119 226372284 /nfs/dbraw/zinc/37/22/84/226372284.db2.gz GPUIUIIVYHUPJR-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000300824122 226372236 /nfs/dbraw/zinc/37/22/36/226372236.db2.gz GPUIUIIVYHUPJR-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000300824125 534256524 /nfs/dbraw/zinc/25/65/24/534256524.db2.gz GPUIUIIVYHUPJR-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000300824128 534257161 /nfs/dbraw/zinc/25/71/61/534257161.db2.gz GPUIUIIVYHUPJR-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300827130 533894192 /nfs/dbraw/zinc/89/41/92/533894192.db2.gz GXLRXBRNMDHNRG-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300827133 533895520 /nfs/dbraw/zinc/89/55/20/533895520.db2.gz GXLRXBRNMDHNRG-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300827136 533791319 /nfs/dbraw/zinc/79/13/19/533791319.db2.gz GXLRXBRNMDHNRG-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300827139 533792131 /nfs/dbraw/zinc/79/21/31/533792131.db2.gz GXLRXBRNMDHNRG-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CSCCCCC[NH2+]C[C@H](C)CC(C)C ZINC000300831719 226372210 /nfs/dbraw/zinc/37/22/10/226372210.db2.gz CBUJXOPXDASPKH-CYBMUJFWSA-N 1 0 231.449 3.792 20 0 BHADRO CSCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC000300831720 226372278 /nfs/dbraw/zinc/37/22/78/226372278.db2.gz CBUJXOPXDASPKH-ZDUSSCGKSA-N 1 0 231.449 3.792 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000300835017 533418218 /nfs/dbraw/zinc/41/82/18/533418218.db2.gz HWYQJBNACFMUEQ-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000300835018 533432422 /nfs/dbraw/zinc/43/24/22/533432422.db2.gz HWYQJBNACFMUEQ-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000300835019 533905301 /nfs/dbraw/zinc/90/53/01/533905301.db2.gz HWYQJBNACFMUEQ-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000300835020 533881287 /nfs/dbraw/zinc/88/12/87/533881287.db2.gz HWYQJBNACFMUEQ-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300839722 528762224 /nfs/dbraw/zinc/76/22/24/528762224.db2.gz ILBQIMBGGMXYIF-GFCCVEGCSA-N 1 0 233.346 3.838 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300839724 528762260 /nfs/dbraw/zinc/76/22/60/528762260.db2.gz ILBQIMBGGMXYIF-LBPRGKRZSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300843921 528899410 /nfs/dbraw/zinc/89/94/10/528899410.db2.gz IYHXZCJAEQFPQM-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300843923 528899674 /nfs/dbraw/zinc/89/96/74/528899674.db2.gz IYHXZCJAEQFPQM-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300843925 528065095 /nfs/dbraw/zinc/06/50/95/528065095.db2.gz IYHXZCJAEQFPQM-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300843928 528065303 /nfs/dbraw/zinc/06/53/03/528065303.db2.gz IYHXZCJAEQFPQM-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC(CCC)[NH2+]CCCSCC ZINC000300848447 527998943 /nfs/dbraw/zinc/99/89/43/527998943.db2.gz ATMZCWXWLPEDPS-UHFFFAOYSA-N 1 0 217.422 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000300850411 533418192 /nfs/dbraw/zinc/41/81/92/533418192.db2.gz LQRIRBRWPSXTBC-NXEZZACHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccs1 ZINC000300850416 533905993 /nfs/dbraw/zinc/90/59/93/533905993.db2.gz LQRIRBRWPSXTBC-UWVGGRQHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000300850421 533880255 /nfs/dbraw/zinc/88/02/55/533880255.db2.gz LQRIRBRWPSXTBC-VHSXEESVSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccs1 ZINC000300850426 533432402 /nfs/dbraw/zinc/43/24/02/533432402.db2.gz LQRIRBRWPSXTBC-ZJUUUORDSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000300850517 225265106 /nfs/dbraw/zinc/26/51/06/225265106.db2.gz LSAUHXWRAHYTDE-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000300850523 225264685 /nfs/dbraw/zinc/26/46/85/225264685.db2.gz LSAUHXWRAHYTDE-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000300850527 225265407 /nfs/dbraw/zinc/26/54/07/225265407.db2.gz LSAUHXWRAHYTDE-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000300850531 533877531 /nfs/dbraw/zinc/87/75/31/533877531.db2.gz LSAUHXWRAHYTDE-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300851512 529178094 /nfs/dbraw/zinc/17/80/94/529178094.db2.gz BDVDPZVSHVLRKC-GXTWGEPZSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300851517 529178060 /nfs/dbraw/zinc/17/80/60/529178060.db2.gz BDVDPZVSHVLRKC-JSGCOSHPSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000300851521 529178283 /nfs/dbraw/zinc/17/82/83/529178283.db2.gz BDVDPZVSHVLRKC-OCCSQVGLSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000300851524 529177939 /nfs/dbraw/zinc/17/79/39/529177939.db2.gz BDVDPZVSHVLRKC-TZMCWYRMSA-N 1 0 241.444 3.712 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300851781 384207984 /nfs/dbraw/zinc/20/79/84/384207984.db2.gz LZBJPHWULRCASH-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300851787 528763138 /nfs/dbraw/zinc/76/31/38/528763138.db2.gz LZBJPHWULRCASH-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300851791 528893428 /nfs/dbraw/zinc/89/34/28/528893428.db2.gz LZBJPHWULRCASH-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300851795 528893765 /nfs/dbraw/zinc/89/37/65/528893765.db2.gz LZBJPHWULRCASH-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCc1ccsc1 ZINC000300852782 528251535 /nfs/dbraw/zinc/25/15/35/528251535.db2.gz FLKXMRFHMRYPEU-GFCCVEGCSA-N 1 0 225.401 3.562 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCc1ccsc1 ZINC000300852784 528459987 /nfs/dbraw/zinc/45/99/87/528459987.db2.gz FLKXMRFHMRYPEU-LBPRGKRZSA-N 1 0 225.401 3.562 20 0 BHADRO C([NH2+]CC1CCCCCCC1)[C@@H]1CCSC1 ZINC000300858738 585699603 /nfs/dbraw/zinc/69/96/03/585699603.db2.gz NFAGDIJCPHMSJM-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C([NH2+]CC1CCCCCCC1)[C@H]1CCSC1 ZINC000300858739 585699460 /nfs/dbraw/zinc/69/94/60/585699460.db2.gz NFAGDIJCPHMSJM-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000300863336 533417640 /nfs/dbraw/zinc/41/76/40/533417640.db2.gz OCLTYDJHHJHKKN-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000300863338 533432334 /nfs/dbraw/zinc/43/23/34/533432334.db2.gz OCLTYDJHHJHKKN-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000300863340 533905707 /nfs/dbraw/zinc/90/57/07/533905707.db2.gz OCLTYDJHHJHKKN-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000300863342 533881229 /nfs/dbraw/zinc/88/12/29/533881229.db2.gz OCLTYDJHHJHKKN-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)s1 ZINC000300866020 386628834 /nfs/dbraw/zinc/62/88/34/386628834.db2.gz HBKACMOLHQHCHW-CMPLNLGQSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)s1 ZINC000300866021 386626946 /nfs/dbraw/zinc/62/69/46/386626946.db2.gz HBKACMOLHQHCHW-JQWIXIFHSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C[C@H](C)CC(C)C)s1 ZINC000300866022 385006953 /nfs/dbraw/zinc/00/69/53/385006953.db2.gz HBKACMOLHQHCHW-PWSUYJOCSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CC(C)C)s1 ZINC000300866023 385006895 /nfs/dbraw/zinc/00/68/95/385006895.db2.gz HBKACMOLHQHCHW-ZYHUDNBSSA-N 1 0 240.416 3.784 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCc1cccs1 ZINC000300867609 528251690 /nfs/dbraw/zinc/25/16/90/528251690.db2.gz HEDKFGXINSEEDJ-GFCCVEGCSA-N 1 0 225.401 3.562 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCc1cccs1 ZINC000300867611 528459979 /nfs/dbraw/zinc/45/99/79/528459979.db2.gz HEDKFGXINSEEDJ-LBPRGKRZSA-N 1 0 225.401 3.562 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300869481 528762898 /nfs/dbraw/zinc/76/28/98/528762898.db2.gz LPFRFLPVOQCHJS-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300869484 528893633 /nfs/dbraw/zinc/89/36/33/528893633.db2.gz LPFRFLPVOQCHJS-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300869487 528893698 /nfs/dbraw/zinc/89/36/98/528893698.db2.gz LPFRFLPVOQCHJS-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300869490 528762564 /nfs/dbraw/zinc/76/25/64/528762564.db2.gz LPFRFLPVOQCHJS-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CCSCCC[NH2+]Cc1cccc(C)c1C ZINC000300872156 385009887 /nfs/dbraw/zinc/00/98/87/385009887.db2.gz DWQLVJMFZBEFJQ-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300880877 527805252 /nfs/dbraw/zinc/80/52/52/527805252.db2.gz ROZBZXOGDICCIE-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300880878 527843357 /nfs/dbraw/zinc/84/33/57/527843357.db2.gz ROZBZXOGDICCIE-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300880880 527843440 /nfs/dbraw/zinc/84/34/40/527843440.db2.gz ROZBZXOGDICCIE-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300880881 527804476 /nfs/dbraw/zinc/80/44/76/527804476.db2.gz ROZBZXOGDICCIE-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300883460 529188731 /nfs/dbraw/zinc/18/87/31/529188731.db2.gz JDVCAUUUXJQGBM-CHWSQXEVSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300883463 529195082 /nfs/dbraw/zinc/19/50/82/529195082.db2.gz JDVCAUUUXJQGBM-OLZOCXBDSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300883466 529188627 /nfs/dbraw/zinc/18/86/27/529188627.db2.gz JDVCAUUUXJQGBM-QWHCGFSZSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300883468 529194970 /nfs/dbraw/zinc/19/49/70/529194970.db2.gz JDVCAUUUXJQGBM-STQMWFEESA-N 1 0 231.449 3.790 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1sccc1C ZINC000300885811 529178292 /nfs/dbraw/zinc/17/82/92/529178292.db2.gz GSZSHOODCQHRHJ-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1sccc1C ZINC000300885813 529178342 /nfs/dbraw/zinc/17/83/42/529178342.db2.gz GSZSHOODCQHRHJ-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCSC(F)(F)F ZINC000300886316 582595680 /nfs/dbraw/zinc/59/56/80/582595680.db2.gz JKRIFIXRVPNDDE-SECBINFHSA-N 1 0 243.338 3.511 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCSC(F)(F)F ZINC000300886318 582595426 /nfs/dbraw/zinc/59/54/26/582595426.db2.gz JKRIFIXRVPNDDE-VIFPVBQESA-N 1 0 243.338 3.511 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300886520 533618431 /nfs/dbraw/zinc/61/84/31/533618431.db2.gz SULMRPOAMHRIRB-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300886523 533618200 /nfs/dbraw/zinc/61/82/00/533618200.db2.gz SULMRPOAMHRIRB-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000300886526 225265859 /nfs/dbraw/zinc/26/58/59/225265859.db2.gz SULMRPOAMHRIRB-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000300886529 225266079 /nfs/dbraw/zinc/26/60/79/225266079.db2.gz SULMRPOAMHRIRB-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(C)C)c1nccs1 ZINC000300887265 529617728 /nfs/dbraw/zinc/61/77/28/529617728.db2.gz JMFPZPAVQRVHGR-NEPJUHHUSA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)c1nccs1 ZINC000300887267 529172511 /nfs/dbraw/zinc/17/25/11/529172511.db2.gz JMFPZPAVQRVHGR-NWDGAFQWSA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(C)C)c1nccs1 ZINC000300887269 529609382 /nfs/dbraw/zinc/60/93/82/529609382.db2.gz JMFPZPAVQRVHGR-RYUDHWBXSA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CC(C)C)c1nccs1 ZINC000300887271 529177474 /nfs/dbraw/zinc/17/74/74/529177474.db2.gz JMFPZPAVQRVHGR-VXGBXAGGSA-N 1 0 240.416 3.866 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1cccs1 ZINC000300887382 487612121 /nfs/dbraw/zinc/61/21/21/487612121.db2.gz JNQHYZXNTYJNRI-LLVKDONJSA-N 1 0 211.374 3.520 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1cccs1 ZINC000300887383 528462069 /nfs/dbraw/zinc/46/20/69/528462069.db2.gz JNQHYZXNTYJNRI-NSHDSACASA-N 1 0 211.374 3.520 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)CC(C)C)CCC1 ZINC000300891575 175451315 /nfs/dbraw/zinc/45/13/15/175451315.db2.gz JXYFGMVKIMTIOX-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)CC(C)C)CCC1 ZINC000300891577 384636597 /nfs/dbraw/zinc/63/65/97/384636597.db2.gz JXYFGMVKIMTIOX-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000300893422 349418003 /nfs/dbraw/zinc/41/80/03/349418003.db2.gz KBRMZEAIYHVCJI-CHWSQXEVSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000300893423 349418017 /nfs/dbraw/zinc/41/80/17/349418017.db2.gz KBRMZEAIYHVCJI-OLZOCXBDSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000300893424 349418129 /nfs/dbraw/zinc/41/81/29/349418129.db2.gz KBRMZEAIYHVCJI-QWHCGFSZSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000300893425 349418094 /nfs/dbraw/zinc/41/80/94/349418094.db2.gz KBRMZEAIYHVCJI-STQMWFEESA-N 1 0 239.428 3.951 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300898259 585702838 /nfs/dbraw/zinc/70/28/38/585702838.db2.gz KQVQMVYPECWWRH-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300898260 585702821 /nfs/dbraw/zinc/70/28/21/585702821.db2.gz KQVQMVYPECWWRH-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300898261 711477842 /nfs/dbraw/zinc/47/78/42/711477842.db2.gz KQVQMVYPECWWRH-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300898262 585702861 /nfs/dbraw/zinc/70/28/61/585702861.db2.gz KQVQMVYPECWWRH-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000300899578 386629953 /nfs/dbraw/zinc/62/99/53/386629953.db2.gz ISWXPMHBLYTGRB-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000300902442 529029078 /nfs/dbraw/zinc/02/90/78/529029078.db2.gz WKYPWCYDDOTFKN-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000300902444 529048223 /nfs/dbraw/zinc/04/82/23/529048223.db2.gz WKYPWCYDDOTFKN-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000300902445 529047596 /nfs/dbraw/zinc/04/75/96/529047596.db2.gz WKYPWCYDDOTFKN-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000300902446 529029344 /nfs/dbraw/zinc/02/93/44/529029344.db2.gz WKYPWCYDDOTFKN-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000300903420 226372668 /nfs/dbraw/zinc/37/26/68/226372668.db2.gz WOSKTYYJWIGULO-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000300903422 534423026 /nfs/dbraw/zinc/42/30/26/534423026.db2.gz WOSKTYYJWIGULO-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C(C)(C)c1nccs1 ZINC000300912234 528251340 /nfs/dbraw/zinc/25/13/40/528251340.db2.gz LYRRCKILSIPYDX-LLVKDONJSA-N 1 0 240.416 3.650 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C(C)(C)c1nccs1 ZINC000300912243 528460618 /nfs/dbraw/zinc/46/06/18/528460618.db2.gz LYRRCKILSIPYDX-NSHDSACASA-N 1 0 240.416 3.650 20 0 BHADRO CCSCCC[NH2+]Cc1cc(C)ccc1C ZINC000300923466 385059846 /nfs/dbraw/zinc/05/98/46/385059846.db2.gz LOIMDIQLIXFDTO-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCc1ccccc1 ZINC000300939095 528460714 /nfs/dbraw/zinc/46/07/14/528460714.db2.gz ONAQTHVJJKNABZ-AWEZNQCLSA-N 1 0 219.372 3.501 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCc1ccccc1 ZINC000300939096 528252165 /nfs/dbraw/zinc/25/21/65/528252165.db2.gz ONAQTHVJJKNABZ-CQSZACIVSA-N 1 0 219.372 3.501 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(C)C ZINC000300939319 529613557 /nfs/dbraw/zinc/61/35/57/529613557.db2.gz NBJZNBXFABDJJW-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(C)C ZINC000300939322 529179501 /nfs/dbraw/zinc/17/95/01/529179501.db2.gz NBJZNBXFABDJJW-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(C)C ZINC000300939324 529620415 /nfs/dbraw/zinc/62/04/15/529620415.db2.gz NBJZNBXFABDJJW-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(C)C ZINC000300939326 529175404 /nfs/dbraw/zinc/17/54/04/529175404.db2.gz NBJZNBXFABDJJW-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300944860 528268789 /nfs/dbraw/zinc/26/87/89/528268789.db2.gz NQSOBKXTAKQLGU-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300944863 528475178 /nfs/dbraw/zinc/47/51/78/528475178.db2.gz NQSOBKXTAKQLGU-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300944867 528475472 /nfs/dbraw/zinc/47/54/72/528475472.db2.gz NQSOBKXTAKQLGU-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300944869 528268431 /nfs/dbraw/zinc/26/84/31/528268431.db2.gz NQSOBKXTAKQLGU-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CCSCCC[NH2+]CC1CCCCCC1 ZINC000300945192 529178245 /nfs/dbraw/zinc/17/82/45/529178245.db2.gz OGQQZOIMRAQPNU-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CCSCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300945259 529178343 /nfs/dbraw/zinc/17/83/43/529178343.db2.gz OHOWDMJWCKWOCI-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000300945261 529177967 /nfs/dbraw/zinc/17/79/67/529177967.db2.gz OHOWDMJWCKWOCI-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000300945264 529178207 /nfs/dbraw/zinc/17/82/07/529178207.db2.gz OHOWDMJWCKWOCI-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300945266 529178352 /nfs/dbraw/zinc/17/83/52/529178352.db2.gz OHOWDMJWCKWOCI-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSC1(C[NH2+]CCCC(C)(C)C)CCC1 ZINC000300949169 259328287 /nfs/dbraw/zinc/32/82/87/259328287.db2.gz WZUUFJNMYQUOJE-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCSCC ZINC000300961951 528782591 /nfs/dbraw/zinc/78/25/91/528782591.db2.gz QPAVHHKKFNYAKJ-GFCCVEGCSA-N 1 0 217.422 3.688 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCSCC ZINC000300961954 528914102 /nfs/dbraw/zinc/91/41/02/528914102.db2.gz QPAVHHKKFNYAKJ-LBPRGKRZSA-N 1 0 217.422 3.688 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC000300963392 168042831 /nfs/dbraw/zinc/04/28/31/168042831.db2.gz PTJYTOGKUREFFB-LLVKDONJSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC000300963395 168042246 /nfs/dbraw/zinc/04/22/46/168042246.db2.gz PTJYTOGKUREFFB-NSHDSACASA-N 1 0 231.330 3.592 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000300967423 487810804 /nfs/dbraw/zinc/81/08/04/487810804.db2.gz QHNSAHIDDHNVMW-GHMZBOCLSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000300967425 487564816 /nfs/dbraw/zinc/56/48/16/487564816.db2.gz QHNSAHIDDHNVMW-MNOVXSKESA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000300967427 487565331 /nfs/dbraw/zinc/56/53/31/487565331.db2.gz QHNSAHIDDHNVMW-QWRGUYRKSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000300967429 487564664 /nfs/dbraw/zinc/56/46/64/487564664.db2.gz QHNSAHIDDHNVMW-WDEREUQCSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCCC(F)(F)F ZINC000300969249 528459796 /nfs/dbraw/zinc/45/97/96/528459796.db2.gz RWPGAORLXIPQCG-JTQLQIEISA-N 1 0 225.298 3.601 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCCC(F)(F)F ZINC000300969252 528251471 /nfs/dbraw/zinc/25/14/71/528251471.db2.gz RWPGAORLXIPQCG-SNVBAGLBSA-N 1 0 225.298 3.601 20 0 BHADRO CCSCCC[NH2+]Cc1cc(Cl)cs1 ZINC000300971933 384764909 /nfs/dbraw/zinc/76/49/09/384764909.db2.gz SBKCIIGYRIYUDZ-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H](C)c1nccs1 ZINC000300972639 187313482 /nfs/dbraw/zinc/31/34/82/187313482.db2.gz SGYHDDNFYGMTBC-NEPJUHHUSA-N 1 0 240.416 3.518 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)c1nccs1 ZINC000300972641 187313848 /nfs/dbraw/zinc/31/38/48/187313848.db2.gz SGYHDDNFYGMTBC-NWDGAFQWSA-N 1 0 240.416 3.518 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H](C)c1nccs1 ZINC000300972643 188350266 /nfs/dbraw/zinc/35/02/66/188350266.db2.gz SGYHDDNFYGMTBC-RYUDHWBXSA-N 1 0 240.416 3.518 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)c1nccs1 ZINC000300972645 188349635 /nfs/dbraw/zinc/34/96/35/188349635.db2.gz SGYHDDNFYGMTBC-VXGBXAGGSA-N 1 0 240.416 3.518 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000300972826 226372912 /nfs/dbraw/zinc/37/29/12/226372912.db2.gz QXKRGEAQQRZEHW-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000300972827 226372916 /nfs/dbraw/zinc/37/29/16/226372916.db2.gz QXKRGEAQQRZEHW-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300976624 528804086 /nfs/dbraw/zinc/80/40/86/528804086.db2.gz RJNKUBRFMMJPAU-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300976626 528803578 /nfs/dbraw/zinc/80/35/78/528803578.db2.gz RJNKUBRFMMJPAU-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000300978573 533418257 /nfs/dbraw/zinc/41/82/57/533418257.db2.gz RRLZGPIGNKAXQJ-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000300978577 533432553 /nfs/dbraw/zinc/43/25/53/533432553.db2.gz RRLZGPIGNKAXQJ-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000300978580 533904807 /nfs/dbraw/zinc/90/48/07/533904807.db2.gz RRLZGPIGNKAXQJ-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000300978584 533881641 /nfs/dbraw/zinc/88/16/41/533881641.db2.gz RRLZGPIGNKAXQJ-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000300981270 528253827 /nfs/dbraw/zinc/25/38/27/528253827.db2.gz UFUURGIOEDDJRP-CHWSQXEVSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000300981271 528253437 /nfs/dbraw/zinc/25/34/37/528253437.db2.gz UFUURGIOEDDJRP-OLZOCXBDSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000300981272 528462215 /nfs/dbraw/zinc/46/22/15/528462215.db2.gz UFUURGIOEDDJRP-QWHCGFSZSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000300981273 528461878 /nfs/dbraw/zinc/46/18/78/528461878.db2.gz UFUURGIOEDDJRP-STQMWFEESA-N 1 0 239.428 3.951 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300986730 529206423 /nfs/dbraw/zinc/20/64/23/529206423.db2.gz SVBTYVGIGIBGSQ-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000300986731 529241876 /nfs/dbraw/zinc/24/18/76/529241876.db2.gz SVBTYVGIGIBGSQ-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300986732 529241964 /nfs/dbraw/zinc/24/19/64/529241964.db2.gz SVBTYVGIGIBGSQ-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000300986733 529207228 /nfs/dbraw/zinc/20/72/28/529207228.db2.gz SVBTYVGIGIBGSQ-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)CC(F)(F)F ZINC000300994104 528254107 /nfs/dbraw/zinc/25/41/07/528254107.db2.gz WBJLOKGWFQBCQA-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)CC(F)(F)F ZINC000300994106 528461722 /nfs/dbraw/zinc/46/17/22/528461722.db2.gz WBJLOKGWFQBCQA-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)CC(F)(F)F ZINC000300994109 528461800 /nfs/dbraw/zinc/46/18/00/528461800.db2.gz WBJLOKGWFQBCQA-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)CC(F)(F)F ZINC000300994112 528252985 /nfs/dbraw/zinc/25/29/85/528252985.db2.gz WBJLOKGWFQBCQA-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCCS1 ZINC000300996937 528252192 /nfs/dbraw/zinc/25/21/92/528252192.db2.gz WLPWPHDXEKSALB-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCS1 ZINC000300996942 528251743 /nfs/dbraw/zinc/25/17/43/528251743.db2.gz WLPWPHDXEKSALB-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCCS1 ZINC000300996945 528461540 /nfs/dbraw/zinc/46/15/40/528461540.db2.gz WLPWPHDXEKSALB-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCS1 ZINC000300996948 528460134 /nfs/dbraw/zinc/46/01/34/528460134.db2.gz WLPWPHDXEKSALB-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000300996993 528251618 /nfs/dbraw/zinc/25/16/18/528251618.db2.gz WMAFYNJUHQHBFZ-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CCCS1 ZINC000300996995 528251997 /nfs/dbraw/zinc/25/19/97/528251997.db2.gz WMAFYNJUHQHBFZ-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000300996997 528460635 /nfs/dbraw/zinc/46/06/35/528460635.db2.gz WMAFYNJUHQHBFZ-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CCCS1 ZINC000300996999 528462125 /nfs/dbraw/zinc/46/21/25/528462125.db2.gz WMAFYNJUHQHBFZ-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000301004338 385228252 /nfs/dbraw/zinc/22/82/52/385228252.db2.gz YMYOYGHYQIVUFI-UHFFFAOYSA-N 1 0 237.412 3.536 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)n1 ZINC000301017517 387253134 /nfs/dbraw/zinc/25/31/34/387253134.db2.gz ZZMLCDPSVWDWNW-CMPLNLGQSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)n1 ZINC000301017518 387253356 /nfs/dbraw/zinc/25/33/56/387253356.db2.gz ZZMLCDPSVWDWNW-JQWIXIFHSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H](C)CC(C)C)n1 ZINC000301017520 387253117 /nfs/dbraw/zinc/25/31/17/387253117.db2.gz ZZMLCDPSVWDWNW-PWSUYJOCSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@H](C)CC(C)C)n1 ZINC000301017522 387253287 /nfs/dbraw/zinc/25/32/87/387253287.db2.gz ZZMLCDPSVWDWNW-ZYHUDNBSSA-N 1 0 240.416 3.784 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)C(C)(C)OC ZINC000301031099 388191545 /nfs/dbraw/zinc/19/15/45/388191545.db2.gz UVOUPPAJCJLISK-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)C(C)(C)OC ZINC000301031100 528914433 /nfs/dbraw/zinc/91/44/33/528914433.db2.gz UVOUPPAJCJLISK-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)C(C)(C)OC ZINC000301031101 528781539 /nfs/dbraw/zinc/78/15/39/528781539.db2.gz UVOUPPAJCJLISK-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)C(C)(C)OC ZINC000301031102 528912895 /nfs/dbraw/zinc/91/28/95/528912895.db2.gz UVOUPPAJCJLISK-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cc(N2CCC[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301072723 132250694 /nfs/dbraw/zinc/25/06/94/132250694.db2.gz IAGUNXFXUGKUQD-GFCCVEGCSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1cc(N2CCC[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301072724 132251269 /nfs/dbraw/zinc/25/12/69/132251269.db2.gz IAGUNXFXUGKUQD-LBPRGKRZSA-N 1 0 240.350 3.780 20 0 BHADRO c1ccc(NCCc2ccc3ccccc3c2)nc1 ZINC000301104340 386817213 /nfs/dbraw/zinc/81/72/13/386817213.db2.gz MMWLZEHCHICCIU-UHFFFAOYSA-N 1 0 248.329 3.889 20 0 BHADRO CC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301232821 132252252 /nfs/dbraw/zinc/25/22/52/132252252.db2.gz BMPSASCMEQRXCY-UHFFFAOYSA-N 1 0 244.313 3.610 20 0 BHADRO Fc1ccc2c(NC3CCCC3)cc[nH+]c2c1 ZINC000301255875 386829034 /nfs/dbraw/zinc/82/90/34/386829034.db2.gz KIOMMNBRKMBASS-UHFFFAOYSA-N 1 0 230.286 3.728 20 0 BHADRO Fc1ccc2c(c1)[nH+]ccc2N1CCCCCC1 ZINC000301258029 386827888 /nfs/dbraw/zinc/82/78/88/386827888.db2.gz KSRUBGJECVMXSZ-UHFFFAOYSA-N 1 0 244.313 3.754 20 0 BHADRO CCCCC[C@@H](C)Nc1ccnc(C2CC2)n1 ZINC000301272778 386830568 /nfs/dbraw/zinc/83/05/68/386830568.db2.gz YMDCPUYUOAYBQD-LLVKDONJSA-N 1 0 233.359 3.735 20 0 BHADRO CCCCC[C@H](C)Nc1ccnc(C2CC2)n1 ZINC000301272780 386830796 /nfs/dbraw/zinc/83/07/96/386830796.db2.gz YMDCPUYUOAYBQD-NSHDSACASA-N 1 0 233.359 3.735 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000301296038 385311032 /nfs/dbraw/zinc/31/10/32/385311032.db2.gz ATOUOROXLSVVOR-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000301296039 385310530 /nfs/dbraw/zinc/31/05/30/385310530.db2.gz ATOUOROXLSVVOR-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000301296040 171365658 /nfs/dbraw/zinc/36/56/58/171365658.db2.gz ATOUOROXLSVVOR-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000301296041 171389427 /nfs/dbraw/zinc/38/94/27/171389427.db2.gz ATOUOROXLSVVOR-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CN(CC1CCC1)c1cc[nH+]c2cc(F)ccc21 ZINC000301296458 386834080 /nfs/dbraw/zinc/83/40/80/386834080.db2.gz VTHYVTSKPVJAMR-UHFFFAOYSA-N 1 0 244.313 3.610 20 0 BHADRO Fc1ccc2c(NCc3ccco3)cc[nH+]c2c1 ZINC000301297747 386833521 /nfs/dbraw/zinc/83/35/21/386833521.db2.gz WFAHHKFVGHEAPX-UHFFFAOYSA-N 1 0 242.253 3.579 20 0 BHADRO C[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301299857 132252644 /nfs/dbraw/zinc/25/26/44/132252644.db2.gz WYVZZYOLUBBFSP-LLVKDONJSA-N 1 0 244.313 3.610 20 0 BHADRO C[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301299859 132252617 /nfs/dbraw/zinc/25/26/17/132252617.db2.gz WYVZZYOLUBBFSP-NSHDSACASA-N 1 0 244.313 3.610 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cnc2ccccc2c1 ZINC000301321761 592533101 /nfs/dbraw/zinc/53/31/01/592533101.db2.gz SQOBNNIVMCXWHP-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO Fc1ccc2c(N[C@@H]3CC=CCC3)cc[nH+]c2c1 ZINC000301322095 386835125 /nfs/dbraw/zinc/83/51/25/386835125.db2.gz HPDXPBAXIHWNDG-GFCCVEGCSA-N 1 0 242.297 3.895 20 0 BHADRO Fc1ccc2c(N[C@H]3CC=CCC3)cc[nH+]c2c1 ZINC000301322096 386833898 /nfs/dbraw/zinc/83/38/98/386833898.db2.gz HPDXPBAXIHWNDG-LBPRGKRZSA-N 1 0 242.297 3.895 20 0 BHADRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C(C)(C)C ZINC000301326832 533467858 /nfs/dbraw/zinc/46/78/58/533467858.db2.gz OTRCXFCQZRSGKP-GFCCVEGCSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)C(C)(C)C ZINC000301326833 226373694 /nfs/dbraw/zinc/37/36/94/226373694.db2.gz OTRCXFCQZRSGKP-LBPRGKRZSA-N 1 0 242.366 3.759 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cnc2ccccc2c1 ZINC000301354663 592533187 /nfs/dbraw/zinc/53/31/87/592533187.db2.gz UCPPILUZQYLITG-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO c1ccc2ncc(C[NH2+]CCCC3CC3)cc2c1 ZINC000301381795 592533997 /nfs/dbraw/zinc/53/39/97/592533997.db2.gz BQZLNXIMNYMLJO-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000301391841 348576074 /nfs/dbraw/zinc/57/60/74/348576074.db2.gz BSFKPNJCCIRSGV-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO Cc1cc(N2CCC(C)(C)C2)c2ccccc2[nH+]1 ZINC000301456879 178112801 /nfs/dbraw/zinc/11/28/01/178112801.db2.gz HUQXQSAGRMQEPC-UHFFFAOYSA-N 1 0 240.350 3.780 20 0 BHADRO CC1(C)CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301457648 386845635 /nfs/dbraw/zinc/84/56/35/386845635.db2.gz IBBGPXYDLGFDBT-UHFFFAOYSA-N 1 0 244.313 3.610 20 0 BHADRO Fc1ccc2c(NCCC3CC3)cc[nH+]c2c1 ZINC000301459349 386844560 /nfs/dbraw/zinc/84/45/60/386844560.db2.gz ILZPJYBQWSKEMT-UHFFFAOYSA-N 1 0 230.286 3.586 20 0 BHADRO Cc1cc(N2C[C@H](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301468162 178120679 /nfs/dbraw/zinc/12/06/79/178120679.db2.gz YUTXNEHJNKCLQD-RYUDHWBXSA-N 1 0 240.350 3.635 20 0 BHADRO Cc1cc(N2C[C@H](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301468163 178120505 /nfs/dbraw/zinc/12/05/05/178120505.db2.gz YUTXNEHJNKCLQD-TXEJJXNPSA-N 1 0 240.350 3.635 20 0 BHADRO Cc1cc(N2C[C@@H](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301468164 178120425 /nfs/dbraw/zinc/12/04/25/178120425.db2.gz YUTXNEHJNKCLQD-VXGBXAGGSA-N 1 0 240.350 3.635 20 0 BHADRO C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@@H]1C ZINC000301481131 176181777 /nfs/dbraw/zinc/18/17/77/176181777.db2.gz DUNCKCYYMUVYEN-GHMZBOCLSA-N 1 0 244.313 3.609 20 0 BHADRO C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@H]1C ZINC000301481132 386848136 /nfs/dbraw/zinc/84/81/36/386848136.db2.gz DUNCKCYYMUVYEN-MNOVXSKESA-N 1 0 244.313 3.609 20 0 BHADRO C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@H]1C ZINC000301481133 177171897 /nfs/dbraw/zinc/17/18/97/177171897.db2.gz DUNCKCYYMUVYEN-QWRGUYRKSA-N 1 0 244.313 3.609 20 0 BHADRO C[C@@H]1[C@@H](C)CCN1c1cc[nH+]c2cc(F)ccc21 ZINC000301481134 177171812 /nfs/dbraw/zinc/17/18/12/177171812.db2.gz DUNCKCYYMUVYEN-WDEREUQCSA-N 1 0 244.313 3.609 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@H]1CCOC1 ZINC000301487036 411064256 /nfs/dbraw/zinc/06/42/56/411064256.db2.gz GDOYJJFUQVOJMI-HRCADAONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCOC1)c1ccccc1 ZINC000301487037 411064264 /nfs/dbraw/zinc/06/42/64/411064264.db2.gz GDOYJJFUQVOJMI-JYJNAYRXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@@H]1CCOC1 ZINC000301487038 411064182 /nfs/dbraw/zinc/06/41/82/411064182.db2.gz GDOYJJFUQVOJMI-OWCLPIDISA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCOC1)c1ccccc1 ZINC000301487039 397893399 /nfs/dbraw/zinc/89/33/99/397893399.db2.gz GDOYJJFUQVOJMI-PMPSAXMXSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc(N2CC[C@H](C)[C@@H]2C)c2ccccc2[nH+]1 ZINC000301495835 178119644 /nfs/dbraw/zinc/11/96/44/178119644.db2.gz SXUBKGFOQXCXEY-AAEUAGOBSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1cc(N2CC[C@@H](C)[C@H]2C)c2ccccc2[nH+]1 ZINC000301495836 178117451 /nfs/dbraw/zinc/11/74/51/178117451.db2.gz SXUBKGFOQXCXEY-DGCLKSJQSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1cc(N2CC[C@H](C)[C@H]2C)c2ccccc2[nH+]1 ZINC000301495837 178120055 /nfs/dbraw/zinc/12/00/55/178120055.db2.gz SXUBKGFOQXCXEY-WCQYABFASA-N 1 0 240.350 3.778 20 0 BHADRO Cc1cc(N2CC[C@@H](C)[C@@H]2C)c2ccccc2[nH+]1 ZINC000301495838 178117993 /nfs/dbraw/zinc/11/79/93/178117993.db2.gz SXUBKGFOQXCXEY-YPMHNXCESA-N 1 0 240.350 3.778 20 0 BHADRO CC[C@@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301506323 384889618 /nfs/dbraw/zinc/88/96/18/384889618.db2.gz BJWXVAJLYRFLLP-SECBINFHSA-N 1 0 218.275 3.584 20 0 BHADRO CC[C@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301506324 171350430 /nfs/dbraw/zinc/35/04/30/171350430.db2.gz BJWXVAJLYRFLLP-VIFPVBQESA-N 1 0 218.275 3.584 20 0 BHADRO CCC1([NH2+]Cc2cnc3ccccc3c2)CCC1 ZINC000301515372 592536339 /nfs/dbraw/zinc/53/63/39/592536339.db2.gz PKWDAKIWUIAYBE-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO C[C@@H]1CCCCN1c1cc[nH+]c2cc(F)ccc21 ZINC000301524297 132254647 /nfs/dbraw/zinc/25/46/47/132254647.db2.gz IGNINPLRAABGMX-LLVKDONJSA-N 1 0 244.313 3.753 20 0 BHADRO C[C@H]1CCCCN1c1cc[nH+]c2cc(F)ccc21 ZINC000301524299 132254483 /nfs/dbraw/zinc/25/44/83/132254483.db2.gz IGNINPLRAABGMX-NSHDSACASA-N 1 0 244.313 3.753 20 0 BHADRO CCC1(C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000301534915 592536143 /nfs/dbraw/zinc/53/61/43/592536143.db2.gz IEIYKYYVEVYCSW-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C[NH2+]Cc2cnc3ccccc3c2)CCC1 ZINC000301534967 168043482 /nfs/dbraw/zinc/04/34/82/168043482.db2.gz YIXYCIXWDUVZLH-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301554687 171014570 /nfs/dbraw/zinc/01/45/70/171014570.db2.gz HZMQOLZBWXEHQE-LLVKDONJSA-N 1 0 244.313 3.610 20 0 BHADRO CC[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301554688 386852759 /nfs/dbraw/zinc/85/27/59/386852759.db2.gz HZMQOLZBWXEHQE-NSHDSACASA-N 1 0 244.313 3.610 20 0 BHADRO CC[C@@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000301566937 171014178 /nfs/dbraw/zinc/01/41/78/171014178.db2.gz MOQZLIBZDZOTIF-CYBMUJFWSA-N 1 0 240.350 3.780 20 0 BHADRO CC[C@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000301566938 171633108 /nfs/dbraw/zinc/63/31/08/171633108.db2.gz MOQZLIBZDZOTIF-ZDUSSCGKSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1ccc(C)c(OCC[NH+]2CCCCCC2)c1 ZINC000301603803 349283183 /nfs/dbraw/zinc/28/31/83/349283183.db2.gz DDPYWRJPNOODNX-UHFFFAOYSA-N 1 0 247.382 3.558 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301604070 369379014 /nfs/dbraw/zinc/37/90/14/369379014.db2.gz FRSOUMDHIXIXQS-CYBMUJFWSA-N 1 0 217.356 3.535 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000301604316 387263139 /nfs/dbraw/zinc/26/31/39/387263139.db2.gz GHPTYCMCZGBONH-LBPRGKRZSA-N 1 0 235.396 3.640 20 0 BHADRO Cc1ccc(C)c(C[NH+]2CCCCCC2)c1 ZINC000301604322 533669138 /nfs/dbraw/zinc/66/91/38/533669138.db2.gz GKGUTAYIGNFQPW-UHFFFAOYSA-N 1 0 217.356 3.679 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000301604592 369378814 /nfs/dbraw/zinc/37/88/14/369378814.db2.gz HKLCGENMLJJBPO-HNNXBMFYSA-N 1 0 217.356 3.760 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000301604593 369378919 /nfs/dbraw/zinc/37/89/19/369378919.db2.gz HKLCGENMLJJBPO-OAHLLOKOSA-N 1 0 217.356 3.760 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000301604647 369379113 /nfs/dbraw/zinc/37/91/13/369379113.db2.gz IJGSVXDZYBVULK-CYBMUJFWSA-N 1 0 221.319 3.590 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000301604675 528358972 /nfs/dbraw/zinc/35/89/72/528358972.db2.gz IVENTQMBOVPXSI-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000301606071 369378956 /nfs/dbraw/zinc/37/89/56/369378956.db2.gz PRYAXGJSOODIES-YCABEKBOSA-N 1 0 229.367 3.964 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000301606379 369378656 /nfs/dbraw/zinc/37/86/56/369378656.db2.gz RNGWPMMLFFDXJJ-DPQIITEBSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCOc1cccc(C)c1 ZINC000301606653 529202426 /nfs/dbraw/zinc/20/24/26/529202426.db2.gz SMTIACHBYOKFSE-HNNXBMFYSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C)c1 ZINC000301606654 529273909 /nfs/dbraw/zinc/27/39/09/529273909.db2.gz SMTIACHBYOKFSE-OAHLLOKOSA-N 1 0 247.382 3.638 20 0 BHADRO Cc1ccc(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000301606725 369378987 /nfs/dbraw/zinc/37/89/87/369378987.db2.gz UTNUBAQOWUQQOD-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000301607181 369378501 /nfs/dbraw/zinc/37/85/01/369378501.db2.gz XFGCBTTVWIDUOT-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](C/C=C/c2ccccc2)C1 ZINC000301607501 388843919 /nfs/dbraw/zinc/84/39/19/388843919.db2.gz ZCIKVXANNUXWRW-VOTDVEDPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1OCC[N@H+]1CCCC[C@@H]1C ZINC000301607504 343623784 /nfs/dbraw/zinc/62/37/84/343623784.db2.gz ZFCCDPDZXMLWKP-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc(C)c1OCC[N@H+]1CCCC[C@H]1C ZINC000301607505 343623444 /nfs/dbraw/zinc/62/34/44/343623444.db2.gz ZFCCDPDZXMLWKP-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cc[nH+]c(NC[C@H](C)Cc2cccs2)c1 ZINC000301634737 386860475 /nfs/dbraw/zinc/86/04/75/386860475.db2.gz KKUZGPZPXBSLCL-GFCCVEGCSA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H](C)Cc2cccs2)c1 ZINC000301634738 386861481 /nfs/dbraw/zinc/86/14/81/386861481.db2.gz KKUZGPZPXBSLCL-LBPRGKRZSA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cc[nH+]c(NCCOC2CCCCCC2)c1 ZINC000301635888 386861717 /nfs/dbraw/zinc/86/17/17/386861717.db2.gz KXEXKSUWFPHXOV-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc(C(C)(C)C)cc1 ZINC000301636574 411495225 /nfs/dbraw/zinc/49/52/25/411495225.db2.gz GSXKQSQSKFOOJG-GFCCVEGCSA-N 1 0 237.362 3.994 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc(C(C)(C)C)cc1 ZINC000301636576 533844357 /nfs/dbraw/zinc/84/43/57/533844357.db2.gz GSXKQSQSKFOOJG-LBPRGKRZSA-N 1 0 237.362 3.994 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCC(C)C)[C@H]1CCOC1 ZINC000301639707 529664855 /nfs/dbraw/zinc/66/48/55/529664855.db2.gz WEMUPJQLHQSBAG-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCC(C)C)[C@@H]1CCOC1 ZINC000301639708 529664796 /nfs/dbraw/zinc/66/47/96/529664796.db2.gz WEMUPJQLHQSBAG-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc[nH+]c(NCCc2cccc(Cl)c2)c1 ZINC000301639737 386863951 /nfs/dbraw/zinc/86/39/51/386863951.db2.gz MTTOXMNXNUXEAF-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1cc[nH+]c(NCCc2ccccc2Cl)c1 ZINC000301640318 386863976 /nfs/dbraw/zinc/86/39/76/386863976.db2.gz MDLGTVUERYVREM-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1cc[nH+]c(NCC2(c3ccccc3)CC2)c1 ZINC000301646689 386863871 /nfs/dbraw/zinc/86/38/71/386863871.db2.gz PUDWEPPHZQKFLF-UHFFFAOYSA-N 1 0 238.334 3.534 20 0 BHADRO Cc1cc[nH+]c(NCCCOC2CCCCC2)c1 ZINC000301652326 386863731 /nfs/dbraw/zinc/86/37/31/386863731.db2.gz SVDYPBWJLPMJAV-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO Cc1cc(N(C)C2CCC2)c2cc(F)ccc2[nH+]1 ZINC000301656310 178096716 /nfs/dbraw/zinc/09/67/16/178096716.db2.gz HUPOKHYOMBJOPS-UHFFFAOYSA-N 1 0 244.313 3.671 20 0 BHADRO Cc1ccnc(N(C)Cc2cccc(Cl)c2)c1 ZINC000301662601 386865021 /nfs/dbraw/zinc/86/50/21/386865021.db2.gz YFTDVUPCMGMTTB-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1cc[nH+]c(NCCCc2cccc(F)c2)c1 ZINC000301668959 386865608 /nfs/dbraw/zinc/86/56/08/386865608.db2.gz XZPOJMUGXCMSEV-UHFFFAOYSA-N 1 0 244.313 3.574 20 0 BHADRO Fc1ccc2c(NC3CC=CC3)cc[nH+]c2c1 ZINC000301669516 386864781 /nfs/dbraw/zinc/86/47/81/386864781.db2.gz YHOZXBXMHNLZSA-UHFFFAOYSA-N 1 0 228.270 3.504 20 0 BHADRO Cc1cc(N(C)CC2CC2)c2cc(F)ccc2[nH+]1 ZINC000301674123 178097638 /nfs/dbraw/zinc/09/76/38/178097638.db2.gz PCMBXGBFBMCXTD-UHFFFAOYSA-N 1 0 244.313 3.529 20 0 BHADRO Cc1cc(NCC2CC2)c2cc(F)ccc2[nH+]1 ZINC000301690947 178158156 /nfs/dbraw/zinc/15/81/56/178158156.db2.gz WOYHQCGAGBFNKU-UHFFFAOYSA-N 1 0 230.286 3.504 20 0 BHADRO Cc1cc(N2CC[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301691565 178119956 /nfs/dbraw/zinc/11/99/56/178119956.db2.gz WQGDKCOVYQHHGR-JTQLQIEISA-N 1 0 244.313 3.529 20 0 BHADRO Cc1cc(N2CC[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301691566 178117128 /nfs/dbraw/zinc/11/71/28/178117128.db2.gz WQGDKCOVYQHHGR-SNVBAGLBSA-N 1 0 244.313 3.529 20 0 BHADRO Cc1cccc(NCCc2cccc(Cl)c2)[nH+]1 ZINC000301723730 179145889 /nfs/dbraw/zinc/14/58/89/179145889.db2.gz OHWRAWSUKYAHIW-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1cc(NC2CC=CC2)c2cc(F)ccc2[nH+]1 ZINC000301731614 178154806 /nfs/dbraw/zinc/15/48/06/178154806.db2.gz XYXLGAYIBAWBQC-UHFFFAOYSA-N 1 0 242.297 3.813 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(O)cc1 ZINC000301759842 490584296 /nfs/dbraw/zinc/58/42/96/490584296.db2.gz TXMJFHHAEFXERB-GFCCVEGCSA-N 1 0 235.371 3.697 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(O)cc1 ZINC000301759844 490584920 /nfs/dbraw/zinc/58/49/20/490584920.db2.gz TXMJFHHAEFXERB-LBPRGKRZSA-N 1 0 235.371 3.697 20 0 BHADRO CN(CCC1CC1)c1cc[nH+]c2cc(F)ccc21 ZINC000301765236 386875132 /nfs/dbraw/zinc/87/51/32/386875132.db2.gz HRUYHEASBXYDQC-UHFFFAOYSA-N 1 0 244.313 3.610 20 0 BHADRO CCSCCC[NH2+]Cc1cc2ccccc2o1 ZINC000301771433 385410880 /nfs/dbraw/zinc/41/08/80/385410880.db2.gz RTBQNBVUNYFZTJ-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO CCc1cc(N2CC[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301786052 386877907 /nfs/dbraw/zinc/87/79/07/386877907.db2.gz LFNAESOSIAXGQA-GFCCVEGCSA-N 1 0 240.350 3.643 20 0 BHADRO CCc1cc(N2CC[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301786053 386877520 /nfs/dbraw/zinc/87/75/20/386877520.db2.gz LFNAESOSIAXGQA-LBPRGKRZSA-N 1 0 240.350 3.643 20 0 BHADRO CCCc1cc(N2CCCC2)c2ccccc2[nH+]1 ZINC000301786364 386877902 /nfs/dbraw/zinc/87/79/02/386877902.db2.gz LXLGESNJIKAHLF-UHFFFAOYSA-N 1 0 240.350 3.788 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCCC1)[C@H]1CCCO1 ZINC000301809249 592539271 /nfs/dbraw/zinc/53/92/71/592539271.db2.gz FWFHNPIDJKXACI-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCCC1)[C@@H]1CCCO1 ZINC000301809250 592539195 /nfs/dbraw/zinc/53/91/95/592539195.db2.gz FWFHNPIDJKXACI-HIFRSBDPSA-N 1 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3.751 20 0 BHADRO C[C@H]1CC[C@H](C)N1c1cc[nH+]c2cc(F)ccc21 ZINC000301919634 177200176 /nfs/dbraw/zinc/20/01/76/177200176.db2.gz WYHNQLPYQBXTQA-QWRGUYRKSA-N 1 0 244.313 3.751 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCCC(C)(C)C ZINC000301942575 490588186 /nfs/dbraw/zinc/58/81/86/490588186.db2.gz BZGMODLZBIVEFW-JTQLQIEISA-N 1 0 238.375 3.768 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000301942578 490587815 /nfs/dbraw/zinc/58/78/15/490587815.db2.gz BZGMODLZBIVEFW-SNVBAGLBSA-N 1 0 238.375 3.768 20 0 BHADRO Cc1cc2ccccc2c(N2CCC[C@@H](C)C2)[nH+]1 ZINC000302035333 132259906 /nfs/dbraw/zinc/25/99/06/132259906.db2.gz JRPNWVOXXGICNR-GFCCVEGCSA-N 1 0 240.350 3.780 20 0 BHADRO CCc1c(C)[nH+]c2ccccc2c1N1CCCC1 ZINC000302069773 386902161 /nfs/dbraw/zinc/90/21/61/386902161.db2.gz VLARIWAVVKYYFJ-UHFFFAOYSA-N 1 0 240.350 3.706 20 0 BHADRO CSCCCNc1[nH+]c(C)cc2ccccc21 ZINC000302079863 386901194 /nfs/dbraw/zinc/90/11/94/386901194.db2.gz XJJZGZPUYUHBSR-UHFFFAOYSA-N 1 0 246.379 3.708 20 0 BHADRO Cc1[nH+]c2ccccc2c(NC2CC=CC2)c1C ZINC000302080943 180101838 /nfs/dbraw/zinc/10/18/38/180101838.db2.gz LJNJIVSJUJDQGJ-UHFFFAOYSA-N 1 0 238.334 3.982 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CCCCC2)c1C ZINC000302092552 132259884 /nfs/dbraw/zinc/25/98/84/132259884.db2.gz QEKQSAFEIRHIJE-UHFFFAOYSA-N 1 0 240.350 3.842 20 0 BHADRO CSCCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302104353 386904456 /nfs/dbraw/zinc/90/44/56/386904456.db2.gz WOEYCCOHEYUQDS-UHFFFAOYSA-N 1 0 246.379 3.627 20 0 BHADRO Cc1[nH+]c2ccccc2c(NCC2CC2)c1C ZINC000302105940 180101233 /nfs/dbraw/zinc/10/12/33/180101233.db2.gz XLRXCLQEWLODTO-UHFFFAOYSA-N 1 0 226.323 3.674 20 0 BHADRO CC[C@@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302137491 384955649 /nfs/dbraw/zinc/95/56/49/384955649.db2.gz BUXDZJXVVXEZOM-LLVKDONJSA-N 1 0 214.312 3.754 20 0 BHADRO CC[C@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302137492 171350795 /nfs/dbraw/zinc/35/07/95/171350795.db2.gz BUXDZJXVVXEZOM-NSHDSACASA-N 1 0 214.312 3.754 20 0 BHADRO CSCCCNc1cc[nH+]c2ccc(C)cc12 ZINC000302137522 386905988 /nfs/dbraw/zinc/90/59/88/386905988.db2.gz BWMRIDNGLTZWDV-UHFFFAOYSA-N 1 0 246.379 3.708 20 0 BHADRO CC[C@@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302150472 171013372 /nfs/dbraw/zinc/01/33/72/171013372.db2.gz KCJRVNQEBRTUTN-CYBMUJFWSA-N 1 0 240.350 3.780 20 0 BHADRO CC[C@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302150473 386906482 /nfs/dbraw/zinc/90/64/82/386906482.db2.gz KCJRVNQEBRTUTN-ZDUSSCGKSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1ccc2[nH+]ccc(N(C)C3CCC3)c2c1 ZINC000302150860 386909688 /nfs/dbraw/zinc/90/96/88/386909688.db2.gz KIPOAQTVMUQNFX-UHFFFAOYSA-N 1 0 226.323 3.532 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCCC[C@H]3C)c2c1 ZINC000302151929 132260884 /nfs/dbraw/zinc/26/08/84/132260884.db2.gz KWJXMQRVZACIQI-CYBMUJFWSA-N 1 0 240.350 3.922 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCCC[C@@H]3C)c2c1 ZINC000302151931 132261174 /nfs/dbraw/zinc/26/11/74/132261174.db2.gz KWJXMQRVZACIQI-ZDUSSCGKSA-N 1 0 240.350 3.922 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCCCC3)c2c1 ZINC000302151946 132224642 /nfs/dbraw/zinc/22/46/42/132224642.db2.gz KWTCTGBUEMUOOO-UHFFFAOYSA-N 1 0 226.323 3.534 20 0 BHADRO CSC[C@@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302153902 386909199 /nfs/dbraw/zinc/90/91/99/386909199.db2.gz LSXFPMXQQIEQAQ-LLVKDONJSA-N 1 0 246.379 3.707 20 0 BHADRO CSC[C@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302153903 175525620 /nfs/dbraw/zinc/52/56/20/175525620.db2.gz LSXFPMXQQIEQAQ-NSHDSACASA-N 1 0 246.379 3.707 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@@H](C)C3)c2c1 ZINC000302155372 132224465 /nfs/dbraw/zinc/22/44/65/132224465.db2.gz MIZWFDRZHSGXIY-CYBMUJFWSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@H](C)C3)c2c1 ZINC000302155374 132260986 /nfs/dbraw/zinc/26/09/86/132260986.db2.gz MIZWFDRZHSGXIY-ZDUSSCGKSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1ccc2[nH+]ccc(NCc3cccnc3)c2c1 ZINC000302158309 386908694 /nfs/dbraw/zinc/90/86/94/386908694.db2.gz NTASEMUZTKVIMO-UHFFFAOYSA-N 1 0 249.317 3.550 20 0 BHADRO Cc1ccc2[nH+]ccc(NCc3ccco3)c2c1 ZINC000302159475 386909531 /nfs/dbraw/zinc/90/95/31/386909531.db2.gz OIRWSIIVNFGCCZ-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC(C)(C)C3)c2c1 ZINC000302159581 386909537 /nfs/dbraw/zinc/90/95/37/386909537.db2.gz OOWBKJVCPLABHZ-UHFFFAOYSA-N 1 0 240.350 3.780 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCCCCC3)c2c1 ZINC000302164206 386908149 /nfs/dbraw/zinc/90/81/49/386908149.db2.gz QOIPSVWJYVGFOS-UHFFFAOYSA-N 1 0 240.350 3.924 20 0 BHADRO Cc1ccc2[nH+]ccc(NCC(C)C)c2c1 ZINC000302174347 384978386 /nfs/dbraw/zinc/97/83/86/384978386.db2.gz WITQVANIXQCIMS-UHFFFAOYSA-N 1 0 214.312 3.611 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@H]3C)c2c1 ZINC000302178375 386910567 /nfs/dbraw/zinc/91/05/67/386910567.db2.gz YBXVXDULNITERE-CHWSQXEVSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@@H]3C)c2c1 ZINC000302178376 386911009 /nfs/dbraw/zinc/91/10/09/386911009.db2.gz YBXVXDULNITERE-OLZOCXBDSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC[C@H](C)[C@H]3C)c2c1 ZINC000302178379 386910394 /nfs/dbraw/zinc/91/03/94/386910394.db2.gz YBXVXDULNITERE-QWHCGFSZSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC[C@H](C)[C@@H]3C)c2c1 ZINC000302178381 386910625 /nfs/dbraw/zinc/91/06/25/386910625.db2.gz YBXVXDULNITERE-STQMWFEESA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(NC3CCCC3)c2c1 ZINC000302178930 178982652 /nfs/dbraw/zinc/98/26/52/178982652.db2.gz YJJYNVYXIDZOTJ-UHFFFAOYSA-N 1 0 226.323 3.898 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC(C)CC3)c2c1 ZINC000302180075 132261436 /nfs/dbraw/zinc/26/14/36/132261436.db2.gz ZCQYBMVZAGLZQA-UHFFFAOYSA-N 1 0 240.350 3.780 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCF)c2ccccc21 ZINC000302196888 350054439 /nfs/dbraw/zinc/05/44/39/350054439.db2.gz OWUUSACJAOPATB-AWEZNQCLSA-N 1 0 235.346 3.748 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000302196889 350054645 /nfs/dbraw/zinc/05/46/45/350054645.db2.gz OWUUSACJAOPATB-CQSZACIVSA-N 1 0 235.346 3.748 20 0 BHADRO Cc1cc(N(Cc2cccs2)C2CC2)cc[nH+]1 ZINC000302209374 178102478 /nfs/dbraw/zinc/10/24/78/178102478.db2.gz BQGREPZBEPQBMM-UHFFFAOYSA-N 1 0 244.363 3.621 20 0 BHADRO Cc1cc(NCCCOC2CCCCC2)cc[nH+]1 ZINC000302210085 178159521 /nfs/dbraw/zinc/15/95/21/178159521.db2.gz CBKHVVANCIIFDT-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC000302212274 386591962 /nfs/dbraw/zinc/59/19/62/386591962.db2.gz AOBBBRSQEPQAJO-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC000302212275 534257520 /nfs/dbraw/zinc/25/75/20/534257520.db2.gz AOBBBRSQEPQAJO-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000302212276 386591570 /nfs/dbraw/zinc/59/15/70/386591570.db2.gz AOBBBRSQEPQAJO-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000302212277 386593117 /nfs/dbraw/zinc/59/31/17/386593117.db2.gz AOBBBRSQEPQAJO-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H]1C ZINC000302212297 386591977 /nfs/dbraw/zinc/59/19/77/386591977.db2.gz FKXRXGZHCDRJGO-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H]1C ZINC000302212298 533877828 /nfs/dbraw/zinc/87/78/28/533877828.db2.gz FKXRXGZHCDRJGO-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@H]1C ZINC000302212299 533878127 /nfs/dbraw/zinc/87/81/27/533878127.db2.gz FKXRXGZHCDRJGO-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC000302212300 386592889 /nfs/dbraw/zinc/59/28/89/386592889.db2.gz FKXRXGZHCDRJGO-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C)CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000302212342 386591778 /nfs/dbraw/zinc/59/17/78/386591778.db2.gz LHFONLJPPGYYJQ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000302212344 386591989 /nfs/dbraw/zinc/59/19/89/386591989.db2.gz LHFONLJPPGYYJQ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000302212364 386593023 /nfs/dbraw/zinc/59/30/23/386593023.db2.gz OYAVPAGYITWRFV-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000302212366 386592154 /nfs/dbraw/zinc/59/21/54/386592154.db2.gz OYAVPAGYITWRFV-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000302212403 386594542 /nfs/dbraw/zinc/59/45/42/386594542.db2.gz RDPLGHFMGWYKTG-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000302212406 386594178 /nfs/dbraw/zinc/59/41/78/386594178.db2.gz RDPLGHFMGWYKTG-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000302212407 386594615 /nfs/dbraw/zinc/59/46/15/386594615.db2.gz RDPLGHFMGWYKTG-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000302212411 386594297 /nfs/dbraw/zinc/59/42/97/386594297.db2.gz RDPLGHFMGWYKTG-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccc2[nH+]ccc(NC3CC=CC3)c2c1 ZINC000302213978 386915536 /nfs/dbraw/zinc/91/55/36/386915536.db2.gz IAWUQDGMZLEMON-UHFFFAOYSA-N 1 0 224.307 3.674 20 0 BHADRO Cc1cc(N2CCC[C@H]2C2CCCC2)cc[nH+]1 ZINC000302216199 178116790 /nfs/dbraw/zinc/11/67/90/178116790.db2.gz IJFKFAXBSWBKMB-HNNXBMFYSA-N 1 0 230.355 3.549 20 0 BHADRO Cc1cc(N2CCC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000302216200 178115016 /nfs/dbraw/zinc/11/50/16/178115016.db2.gz IJFKFAXBSWBKMB-OAHLLOKOSA-N 1 0 230.355 3.549 20 0 BHADRO Cc1cc(N(C)[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000302220661 178102679 /nfs/dbraw/zinc/10/26/79/178102679.db2.gz NCWSVQYHRTVCBH-INIZCTEOSA-N 1 0 238.334 3.514 20 0 BHADRO Cc1cc(N(C)[C@@H]2CCc3ccccc32)cc[nH+]1 ZINC000302220662 178100655 /nfs/dbraw/zinc/10/06/55/178100655.db2.gz NCWSVQYHRTVCBH-MRXNPFEDSA-N 1 0 238.334 3.514 20 0 BHADRO Cc1cc(N(C)Cc2ccc(Cl)cc2)cc[nH+]1 ZINC000302224006 188059468 /nfs/dbraw/zinc/05/94/68/188059468.db2.gz QCTAWLWWHSNKHP-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1cc(N2CCC3(C2)CCCCC3)cc[nH+]1 ZINC000302225368 178112809 /nfs/dbraw/zinc/11/28/09/178112809.db2.gz RIWWHZBORMLBAH-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO Cc1cc(NCCc2cccc(Cl)c2)cc[nH+]1 ZINC000302225604 178163516 /nfs/dbraw/zinc/16/35/16/178163516.db2.gz ROXIXEFABBQCJV-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1cc(N(Cc2ccccc2)C2CC2)cc[nH+]1 ZINC000302228337 178101845 /nfs/dbraw/zinc/10/18/45/178101845.db2.gz VMBZACCFGHYELI-UHFFFAOYSA-N 1 0 238.334 3.559 20 0 BHADRO Cc1cc(N(C)Cc2cccc(Cl)c2)cc[nH+]1 ZINC000302229337 187206875 /nfs/dbraw/zinc/20/68/75/187206875.db2.gz WDRZPVJKRCRNRF-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1cc(N(C)Cc2ccccc2Cl)cc[nH+]1 ZINC000302232335 386704794 /nfs/dbraw/zinc/70/47/94/386704794.db2.gz YKNIDAOXUUZPKX-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1ccc2[nH+]ccc(N3[C@H](C)CC[C@@H]3C)c2c1 ZINC000302232814 386916835 /nfs/dbraw/zinc/91/68/35/386916835.db2.gz SQNPTCDJNRZIJM-BETUJISGSA-N 1 0 240.350 3.920 20 0 BHADRO Cc1ccc2[nH+]ccc(N3[C@H](C)CC[C@H]3C)c2c1 ZINC000302232817 386917607 /nfs/dbraw/zinc/91/76/07/386917607.db2.gz SQNPTCDJNRZIJM-CHWSQXEVSA-N 1 0 240.350 3.920 20 0 BHADRO Cc1ccc2[nH+]ccc(N3[C@@H](C)CC[C@@H]3C)c2c1 ZINC000302232818 386917222 /nfs/dbraw/zinc/91/72/22/386917222.db2.gz SQNPTCDJNRZIJM-STQMWFEESA-N 1 0 240.350 3.920 20 0 BHADRO Cc1cccc(NC[C@@H]2CCc3ccccc32)[nH+]1 ZINC000302235844 386916532 /nfs/dbraw/zinc/91/65/32/386916532.db2.gz IUORCWXZKISANR-AWEZNQCLSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cccc(NC[C@H]2CCc3ccccc32)[nH+]1 ZINC000302235845 179147908 /nfs/dbraw/zinc/14/79/08/179147908.db2.gz IUORCWXZKISANR-CQSZACIVSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cccc(NCCCc2cccc(F)c2)[nH+]1 ZINC000302236412 179143549 /nfs/dbraw/zinc/14/35/49/179143549.db2.gz JNPNUHOPTBEITC-UHFFFAOYSA-N 1 0 244.313 3.574 20 0 BHADRO Cc1cccc(NCCCSCC(C)C)[nH+]1 ZINC000302236823 179144543 /nfs/dbraw/zinc/14/45/43/179144543.db2.gz KAPDPLZNDSMTLQ-UHFFFAOYSA-N 1 0 238.400 3.581 20 0 BHADRO Cc1cccc(NCCc2ccccc2Cl)[nH+]1 ZINC000302239165 179146076 /nfs/dbraw/zinc/14/60/76/179146076.db2.gz MCONKEYJURLNBE-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO FCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000302249469 229275235 /nfs/dbraw/zinc/27/52/35/229275235.db2.gz KBWMYLXMCKFJDL-UHFFFAOYSA-N 1 0 245.297 3.538 20 0 BHADRO Cc1ccc([C@H](C)N(C)c2cccc(C)n2)cc1 ZINC000302253281 386919447 /nfs/dbraw/zinc/91/94/47/386919447.db2.gz XRXQLOIQEZLFIW-AWEZNQCLSA-N 1 0 240.350 3.896 20 0 BHADRO Cc1ccc([C@@H](C)N(C)c2cccc(C)n2)cc1 ZINC000302253283 386919900 /nfs/dbraw/zinc/91/99/00/386919900.db2.gz XRXQLOIQEZLFIW-CQSZACIVSA-N 1 0 240.350 3.896 20 0 BHADRO Cc1cccc(NC[C@H](C)Cc2cccs2)[nH+]1 ZINC000302256602 386920470 /nfs/dbraw/zinc/92/04/70/386920470.db2.gz ZHZREFMQOJZSFZ-LLVKDONJSA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cccc(NC[C@@H](C)Cc2cccs2)[nH+]1 ZINC000302256603 179147398 /nfs/dbraw/zinc/14/73/98/179147398.db2.gz ZHZREFMQOJZSFZ-NSHDSACASA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cc(N[C@@H](c2ccccc2)C2CC2)cc[nH+]1 ZINC000302257180 178181346 /nfs/dbraw/zinc/18/13/46/178181346.db2.gz CDGUZNQDHPJMKZ-INIZCTEOSA-N 1 0 238.334 3.953 20 0 BHADRO Cc1cc(N[C@H](c2ccccc2)C2CC2)cc[nH+]1 ZINC000302257182 178188008 /nfs/dbraw/zinc/18/80/08/178188008.db2.gz CDGUZNQDHPJMKZ-MRXNPFEDSA-N 1 0 238.334 3.953 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000302273266 398057731 /nfs/dbraw/zinc/05/77/31/398057731.db2.gz APVLBWKTJHOLDI-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000302273267 398057780 /nfs/dbraw/zinc/05/77/80/398057780.db2.gz APVLBWKTJHOLDI-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000302274395 490594005 /nfs/dbraw/zinc/59/40/05/490594005.db2.gz DKDNFHWKPFLKRV-DZGCQCFKSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000302274396 490593290 /nfs/dbraw/zinc/59/32/90/490593290.db2.gz DKDNFHWKPFLKRV-HIFRSBDPSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000302274397 490593764 /nfs/dbraw/zinc/59/37/64/490593764.db2.gz DKDNFHWKPFLKRV-UKRRQHHQSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000302274398 490593660 /nfs/dbraw/zinc/59/36/60/490593660.db2.gz DKDNFHWKPFLKRV-ZFWWWQNUSA-N 1 0 231.383 3.598 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCC1CCOCC1 ZINC000302291719 386673329 /nfs/dbraw/zinc/67/33/29/386673329.db2.gz XQXOZPIVFYBTOJ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCC1CCOCC1 ZINC000302291721 386672654 /nfs/dbraw/zinc/67/26/54/386672654.db2.gz XQXOZPIVFYBTOJ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCC1CCOCC1 ZINC000302292589 386673709 /nfs/dbraw/zinc/67/37/09/386673709.db2.gz XQXOZPIVFYBTOJ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCC1CCOCC1 ZINC000302292591 386672427 /nfs/dbraw/zinc/67/24/27/386672427.db2.gz XQXOZPIVFYBTOJ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH3+])c1ccc(OCCC2CCCC2)cc1 ZINC000302300481 350072910 /nfs/dbraw/zinc/07/29/10/350072910.db2.gz ZNRUQKLGJFTBJJ-GFCCVEGCSA-N 1 0 233.355 3.665 20 0 BHADRO COc1ccccc1CC[NH2+]C[C@@H](C)CC(C)C ZINC000302305401 534046926 /nfs/dbraw/zinc/04/69/26/534046926.db2.gz HTBWPUFAPQEJER-AWEZNQCLSA-N 1 0 249.398 3.510 20 0 BHADRO COc1ccccc1CC[NH2+]C[C@H](C)CC(C)C ZINC000302305402 386672971 /nfs/dbraw/zinc/67/29/71/386672971.db2.gz HTBWPUFAPQEJER-CQSZACIVSA-N 1 0 249.398 3.510 20 0 BHADRO Cc1ccc(CNc2cc[nH+]c(C)c2)c(C)c1 ZINC000302306240 386920021 /nfs/dbraw/zinc/92/00/21/386920021.db2.gz OAIPVDHHXAFQQT-UHFFFAOYSA-N 1 0 226.323 3.619 20 0 BHADRO CCN(Cc1cccc(F)c1)c1cc[nH+]c(C)c1 ZINC000302306321 356617603 /nfs/dbraw/zinc/61/76/03/356617603.db2.gz OFHNCJJCBKPGDR-UHFFFAOYSA-N 1 0 244.313 3.556 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000302310644 527832713 /nfs/dbraw/zinc/83/27/13/527832713.db2.gz BDGOSISCQBYFHT-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000302310645 527832425 /nfs/dbraw/zinc/83/24/25/527832425.db2.gz BDGOSISCQBYFHT-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(N(C)[C@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000302311216 178100028 /nfs/dbraw/zinc/10/00/28/178100028.db2.gz PBUUSMRTUPVEOY-GFCCVEGCSA-N 1 0 244.313 3.727 20 0 BHADRO Cc1cc(N(C)[C@@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000302311217 178100640 /nfs/dbraw/zinc/10/06/40/178100640.db2.gz PBUUSMRTUPVEOY-LBPRGKRZSA-N 1 0 244.313 3.727 20 0 BHADRO Cc1cc(N[C@@H](C)c2ccc(F)cc2F)cc[nH+]1 ZINC000302312856 178178144 /nfs/dbraw/zinc/17/81/44/178178144.db2.gz PLNJPYQQVPEOIJ-JTQLQIEISA-N 1 0 248.276 3.841 20 0 BHADRO Cc1cc(N[C@H](C)c2ccc(F)cc2F)cc[nH+]1 ZINC000302312859 178186937 /nfs/dbraw/zinc/18/69/37/178186937.db2.gz PLNJPYQQVPEOIJ-SNVBAGLBSA-N 1 0 248.276 3.841 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000302326525 532969228 /nfs/dbraw/zinc/96/92/28/532969228.db2.gz CSJZRWISNONTLE-CYBMUJFWSA-N 1 0 249.398 3.713 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000302326528 532969606 /nfs/dbraw/zinc/96/96/06/532969606.db2.gz CSJZRWISNONTLE-ZDUSSCGKSA-N 1 0 249.398 3.713 20 0 BHADRO Cc1cc(NCc2cc3ccccc3o2)cc[nH+]1 ZINC000302327309 178171602 /nfs/dbraw/zinc/17/16/02/178171602.db2.gz SQHUKGVXBNRSJM-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302327635 533432651 /nfs/dbraw/zinc/43/26/51/533432651.db2.gz CUPZIKMPXSLJMZ-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302327639 533881055 /nfs/dbraw/zinc/88/10/55/533881055.db2.gz CUPZIKMPXSLJMZ-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302327643 533905323 /nfs/dbraw/zinc/90/53/23/533905323.db2.gz CUPZIKMPXSLJMZ-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302327644 533416898 /nfs/dbraw/zinc/41/68/98/533416898.db2.gz CUPZIKMPXSLJMZ-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc(N2CCC[C@H]2c2ccccc2)cc[nH+]1 ZINC000302328534 178115976 /nfs/dbraw/zinc/11/59/76/178115976.db2.gz SZYPVBCOHIIRKK-INIZCTEOSA-N 1 0 238.334 3.732 20 0 BHADRO Cc1cc(N2CCC[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302328535 178114635 /nfs/dbraw/zinc/11/46/35/178114635.db2.gz SZYPVBCOHIIRKK-MRXNPFEDSA-N 1 0 238.334 3.732 20 0 BHADRO Cc1ccc([C@H](C)N(C)c2cc[nH+]c(C)c2)cc1 ZINC000302339373 386922660 /nfs/dbraw/zinc/92/26/60/386922660.db2.gz WCJNEOTXZOTXIH-AWEZNQCLSA-N 1 0 240.350 3.896 20 0 BHADRO Cc1ccc([C@@H](C)N(C)c2cc[nH+]c(C)c2)cc1 ZINC000302339375 386922635 /nfs/dbraw/zinc/92/26/35/386922635.db2.gz WCJNEOTXZOTXIH-CQSZACIVSA-N 1 0 240.350 3.896 20 0 BHADRO Cc1cc(NCC2(c3ccccc3)CC2)cc[nH+]1 ZINC000302339393 178156915 /nfs/dbraw/zinc/15/69/15/178156915.db2.gz WDORZRZJPILJJQ-UHFFFAOYSA-N 1 0 238.334 3.534 20 0 BHADRO Cc1cc(NC[C@H]2C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302362914 178170081 /nfs/dbraw/zinc/17/00/81/178170081.db2.gz AQDHHCZDIRSGCU-GDBMZVCRSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cc(NC[C@@H]2C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302362918 178167361 /nfs/dbraw/zinc/16/73/61/178167361.db2.gz AQDHHCZDIRSGCU-GOEBONIOSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cc(NC[C@@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000302362922 178167629 /nfs/dbraw/zinc/16/76/29/178167629.db2.gz AQDHHCZDIRSGCU-HOCLYGCPSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cc(NC[C@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000302362924 178169963 /nfs/dbraw/zinc/16/99/63/178169963.db2.gz AQDHHCZDIRSGCU-ZBFHGGJFSA-N 1 0 238.334 3.606 20 0 BHADRO CCc1nc([C@H](C)Nc2cc[nH+]c(C)c2)cs1 ZINC000302362961 172007265 /nfs/dbraw/zinc/00/72/65/172007265.db2.gz AQIWGQZKINUFRH-JTQLQIEISA-N 1 0 247.367 3.582 20 0 BHADRO CCc1nc([C@@H](C)Nc2cc[nH+]c(C)c2)cs1 ZINC000302362965 172002245 /nfs/dbraw/zinc/00/22/45/172002245.db2.gz AQIWGQZKINUFRH-SNVBAGLBSA-N 1 0 247.367 3.582 20 0 BHADRO Cc1cc(N2CCC(C(C)(C)C)CC2)cc[nH+]1 ZINC000302367499 132262755 /nfs/dbraw/zinc/26/27/55/132262755.db2.gz BFTARCBTULXMOI-UHFFFAOYSA-N 1 0 232.371 3.653 20 0 BHADRO Cc1cc(N[C@@H](C)c2cccc(F)c2F)cc[nH+]1 ZINC000302370385 178179314 /nfs/dbraw/zinc/17/93/14/178179314.db2.gz CLVFDSXCNPQOAX-JTQLQIEISA-N 1 0 248.276 3.841 20 0 BHADRO Cc1cc(N[C@H](C)c2cccc(F)c2F)cc[nH+]1 ZINC000302370387 178187679 /nfs/dbraw/zinc/18/76/79/178187679.db2.gz CLVFDSXCNPQOAX-SNVBAGLBSA-N 1 0 248.276 3.841 20 0 BHADRO CC(C)C[C@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000302373582 528462093 /nfs/dbraw/zinc/46/20/93/528462093.db2.gz OTXNPMRAHLSXBN-AWEZNQCLSA-N 1 0 248.414 3.842 20 0 BHADRO CC(C)C[C@@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000302373583 528253423 /nfs/dbraw/zinc/25/34/23/528253423.db2.gz OTXNPMRAHLSXBN-CQSZACIVSA-N 1 0 248.414 3.842 20 0 BHADRO CCSCCC[NH2+]Cc1ccccc1C1CC1 ZINC000302390562 352641962 /nfs/dbraw/zinc/64/19/62/352641962.db2.gz NTGDWJRHZYZEPP-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO Cc1cc(N2CCC[C@H]2CCC(C)C)cc[nH+]1 ZINC000302412867 178116179 /nfs/dbraw/zinc/11/61/79/178116179.db2.gz IJSBGTQPIAWSBI-AWEZNQCLSA-N 1 0 232.371 3.795 20 0 BHADRO Cc1cc(N2CCC[C@@H]2CCC(C)C)cc[nH+]1 ZINC000302412869 178114140 /nfs/dbraw/zinc/11/41/40/178114140.db2.gz IJSBGTQPIAWSBI-CQSZACIVSA-N 1 0 232.371 3.795 20 0 BHADRO COc1ccc(CC[NH2+]C[C@@H](C)CC(C)C)cc1 ZINC000302424577 385647217 /nfs/dbraw/zinc/64/72/17/385647217.db2.gz UPQNVJLYXVPKQO-AWEZNQCLSA-N 1 0 249.398 3.510 20 0 BHADRO COc1ccc(CC[NH2+]C[C@H](C)CC(C)C)cc1 ZINC000302424578 385648396 /nfs/dbraw/zinc/64/83/96/385648396.db2.gz UPQNVJLYXVPKQO-CQSZACIVSA-N 1 0 249.398 3.510 20 0 BHADRO Cc1cc(NC2CCC(OC(C)C)CC2)cc[nH+]1 ZINC000302424947 178154796 /nfs/dbraw/zinc/15/47/96/178154796.db2.gz JWSHJDZDZRSPSE-UHFFFAOYSA-N 1 0 248.370 3.538 20 0 BHADRO Cc1cc(NCc2ccc(C(F)F)cc2)cc[nH+]1 ZINC000302431235 178172139 /nfs/dbraw/zinc/17/21/39/178172139.db2.gz KXXBGUYOFJCMBJ-UHFFFAOYSA-N 1 0 248.276 3.940 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000302432454 533878452 /nfs/dbraw/zinc/87/84/52/533878452.db2.gz MRDKSQOIUNULQD-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000302432455 385652826 /nfs/dbraw/zinc/65/28/26/385652826.db2.gz MRDKSQOIUNULQD-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000302432456 385651964 /nfs/dbraw/zinc/65/19/64/385651964.db2.gz MRDKSQOIUNULQD-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000302432457 229676830 /nfs/dbraw/zinc/67/68/30/229676830.db2.gz MRDKSQOIUNULQD-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCC12CCOCC2 ZINC000302450423 187229002 /nfs/dbraw/zinc/22/90/02/187229002.db2.gz VDOAVFDCZALPHN-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCC12CCOCC2 ZINC000302450424 169380605 /nfs/dbraw/zinc/38/06/05/169380605.db2.gz VDOAVFDCZALPHN-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000302450425 188254302 /nfs/dbraw/zinc/25/43/02/188254302.db2.gz VDOAVFDCZALPHN-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000302450426 169380723 /nfs/dbraw/zinc/38/07/23/169380723.db2.gz VDOAVFDCZALPHN-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(N[C@@H]2CC23CCCCC3)cc[nH+]1 ZINC000302452541 178180183 /nfs/dbraw/zinc/18/01/83/178180183.db2.gz NUPKCNZFKAARPZ-CYBMUJFWSA-N 1 0 216.328 3.525 20 0 BHADRO Cc1cc(N[C@H]2CC23CCCCC3)cc[nH+]1 ZINC000302452542 178188704 /nfs/dbraw/zinc/18/87/04/178188704.db2.gz NUPKCNZFKAARPZ-ZDUSSCGKSA-N 1 0 216.328 3.525 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000302453111 528461478 /nfs/dbraw/zinc/46/14/78/528461478.db2.gz XPJZNHSURIVIJB-KBPBESRZSA-N 1 0 237.387 3.873 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000302453112 528254060 /nfs/dbraw/zinc/25/40/60/528254060.db2.gz XPJZNHSURIVIJB-KGLIPLIRSA-N 1 0 237.387 3.873 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000302453113 528461900 /nfs/dbraw/zinc/46/19/00/528461900.db2.gz XPJZNHSURIVIJB-UONOGXRCSA-N 1 0 237.387 3.873 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000302453114 528254102 /nfs/dbraw/zinc/25/41/02/528254102.db2.gz XPJZNHSURIVIJB-ZIAGYGMSSA-N 1 0 237.387 3.873 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000302453254 528200818 /nfs/dbraw/zinc/20/08/18/528200818.db2.gz OMRLXEFIZXYBEK-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000302453258 528201215 /nfs/dbraw/zinc/20/12/15/528201215.db2.gz OMRLXEFIZXYBEK-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000302457474 169373233 /nfs/dbraw/zinc/37/32/33/169373233.db2.gz OJUWZIGJEJIFPM-DOMZBBRYSA-N 1 0 232.371 3.795 20 0 BHADRO CCC[C@@H](C)[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000302457475 169374703 /nfs/dbraw/zinc/37/47/03/169374703.db2.gz OJUWZIGJEJIFPM-IUODEOHRSA-N 1 0 232.371 3.795 20 0 BHADRO CCC[C@H](C)[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000302457478 386921288 /nfs/dbraw/zinc/92/12/88/386921288.db2.gz OJUWZIGJEJIFPM-SWLSCSKDSA-N 1 0 232.371 3.795 20 0 BHADRO CCC[C@H](C)[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000302457481 386922836 /nfs/dbraw/zinc/92/28/36/386922836.db2.gz OJUWZIGJEJIFPM-WFASDCNBSA-N 1 0 232.371 3.795 20 0 BHADRO Cc1cc(NCCCSCC(C)C)cc[nH+]1 ZINC000302457542 178159525 /nfs/dbraw/zinc/15/95/25/178159525.db2.gz OMDVKMZOAZEVKP-UHFFFAOYSA-N 1 0 238.400 3.581 20 0 BHADRO COc1cccc(CC[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000302467375 487964434 /nfs/dbraw/zinc/96/44/34/487964434.db2.gz QOCYWHPSGNHTSZ-CYBMUJFWSA-N 1 0 249.398 3.510 20 0 BHADRO COc1cccc(CC[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000302467376 487964530 /nfs/dbraw/zinc/96/45/30/487964530.db2.gz QOCYWHPSGNHTSZ-ZDUSSCGKSA-N 1 0 249.398 3.510 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000302471519 385530600 /nfs/dbraw/zinc/53/06/00/385530600.db2.gz GDUDLTYASCWUFV-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000302471527 385530995 /nfs/dbraw/zinc/53/09/95/385530995.db2.gz GDUDLTYASCWUFV-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO Fc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000302476308 385682468 /nfs/dbraw/zinc/68/24/68/385682468.db2.gz GUIMIAFNQVAZNS-UHFFFAOYSA-N 1 0 247.357 3.884 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCOC1CCCC1 ZINC000302478974 533810597 /nfs/dbraw/zinc/81/05/97/533810597.db2.gz HELAKJXLXPXFKT-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCOC1CCCC1 ZINC000302478976 385674132 /nfs/dbraw/zinc/67/41/32/385674132.db2.gz HELAKJXLXPXFKT-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)c1cccnc1)C1CC1 ZINC000302498644 488103994 /nfs/dbraw/zinc/10/39/94/488103994.db2.gz KSEJUFAWLIRWQK-BBRMVZONSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)c1cccnc1)C1CC1 ZINC000302498645 488104464 /nfs/dbraw/zinc/10/44/64/488104464.db2.gz KSEJUFAWLIRWQK-CJNGLKHVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H](C)c1cccnc1)C1CC1 ZINC000302498646 488104498 /nfs/dbraw/zinc/10/44/98/488104498.db2.gz KSEJUFAWLIRWQK-CZUORRHYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C1CC1 ZINC000302498647 488104642 /nfs/dbraw/zinc/10/46/42/488104642.db2.gz KSEJUFAWLIRWQK-XJKSGUPXSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H](Nc1cc[nH+]c(C)c1)c1c(C)noc1C ZINC000302518562 356619780 /nfs/dbraw/zinc/61/97/80/356619780.db2.gz YKQCQVISPBJNPT-CYBMUJFWSA-N 1 0 245.326 3.558 20 0 BHADRO CC[C@H](Nc1cc[nH+]c(C)c1)c1c(C)noc1C ZINC000302518564 386925190 /nfs/dbraw/zinc/92/51/90/386925190.db2.gz YKQCQVISPBJNPT-ZDUSSCGKSA-N 1 0 245.326 3.558 20 0 BHADRO Cc1cc(NCc2ccc(Cl)c(C)c2)cc[nH+]1 ZINC000302522188 178171692 /nfs/dbraw/zinc/17/16/92/178171692.db2.gz ZECKRXVDPNRWRF-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](CO)c1ccccc1 ZINC000302523566 385687632 /nfs/dbraw/zinc/68/76/32/385687632.db2.gz PPFAPAPOVOEDTL-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](CO)c1ccccc1 ZINC000302523567 385688820 /nfs/dbraw/zinc/68/88/20/385688820.db2.gz PPFAPAPOVOEDTL-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000302524505 385687736 /nfs/dbraw/zinc/68/77/36/385687736.db2.gz WTZSBHGPTCCUAC-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000302524506 350590199 /nfs/dbraw/zinc/59/01/99/350590199.db2.gz WTZSBHGPTCCUAC-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000302524507 350590233 /nfs/dbraw/zinc/59/02/33/350590233.db2.gz WTZSBHGPTCCUAC-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000302524508 350589895 /nfs/dbraw/zinc/58/98/95/350589895.db2.gz WTZSBHGPTCCUAC-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CCC(C)(C)C)n1 ZINC000302526663 323025586 /nfs/dbraw/zinc/02/55/86/323025586.db2.gz QGCWFSXBIWMTRL-GFCCVEGCSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CCC(C)(C)C)n1 ZINC000302526664 323025511 /nfs/dbraw/zinc/02/55/11/323025511.db2.gz QGCWFSXBIWMTRL-LBPRGKRZSA-N 1 0 234.387 3.694 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000302529391 532968813 /nfs/dbraw/zinc/96/88/13/532968813.db2.gz XJAGQEMHCKGOKF-KBPBESRZSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000302529392 532968257 /nfs/dbraw/zinc/96/82/57/532968257.db2.gz XJAGQEMHCKGOKF-KGLIPLIRSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000302529393 532968739 /nfs/dbraw/zinc/96/87/39/532968739.db2.gz XJAGQEMHCKGOKF-UONOGXRCSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000302529394 532969077 /nfs/dbraw/zinc/96/90/77/532969077.db2.gz XJAGQEMHCKGOKF-ZIAGYGMSSA-N 1 0 249.398 3.583 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000302530516 385699822 /nfs/dbraw/zinc/69/98/22/385699822.db2.gz GKGHZXREQDSTDY-IPYPFGDCSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000302530517 385700169 /nfs/dbraw/zinc/70/01/69/385700169.db2.gz GKGHZXREQDSTDY-KCQAQPDRSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000302530518 533714844 /nfs/dbraw/zinc/71/48/44/533714844.db2.gz GKGHZXREQDSTDY-VNHYZAJKSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000302530519 533713254 /nfs/dbraw/zinc/71/32/54/533713254.db2.gz GKGHZXREQDSTDY-YDHLFZDLSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cc(NC/C=C/c2ccccc2)cc[nH+]1 ZINC000302530667 178153192 /nfs/dbraw/zinc/15/31/92/178153192.db2.gz CQYGBGZEMRYWKD-VMPITWQZSA-N 1 0 224.307 3.515 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000302532726 229280410 /nfs/dbraw/zinc/28/04/10/229280410.db2.gz GVAYBARJZVHXTP-KGLIPLIRSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000302532728 229279522 /nfs/dbraw/zinc/27/95/22/229279522.db2.gz GVAYBARJZVHXTP-ZIAGYGMSSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1cc(N[C@H](C)Cc2ccccc2F)cc[nH+]1 ZINC000302542426 178186164 /nfs/dbraw/zinc/18/61/64/178186164.db2.gz GAAGPYMPVZUEIJ-GFCCVEGCSA-N 1 0 244.313 3.572 20 0 BHADRO Cc1cc(N[C@@H](C)Cc2ccccc2F)cc[nH+]1 ZINC000302542428 178179239 /nfs/dbraw/zinc/17/92/39/178179239.db2.gz GAAGPYMPVZUEIJ-LBPRGKRZSA-N 1 0 244.313 3.572 20 0 BHADRO Cc1cc(C)c(CNc2cc[nH+]c(C)c2)c(C)c1 ZINC000302542496 386925502 /nfs/dbraw/zinc/92/55/02/386925502.db2.gz GDACZDPBASNUBT-UHFFFAOYSA-N 1 0 240.350 3.927 20 0 BHADRO Cc1cc(NC[C@@H]2CCc3ccccc32)cc[nH+]1 ZINC000302544132 178167488 /nfs/dbraw/zinc/16/74/88/178167488.db2.gz GMPODPZZRAULHI-AWEZNQCLSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cc(NC[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000302544133 178170776 /nfs/dbraw/zinc/17/07/76/178170776.db2.gz GMPODPZZRAULHI-CQSZACIVSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cc(N2CCC[C@@]3(CC=CCC3)C2)cc[nH+]1 ZINC000302551237 132263971 /nfs/dbraw/zinc/26/39/71/132263971.db2.gz IFIOOAYJUHXMIJ-INIZCTEOSA-N 1 0 242.366 3.717 20 0 BHADRO Cc1cc(N2CCC[C@]3(CC=CCC3)C2)cc[nH+]1 ZINC000302551239 132264248 /nfs/dbraw/zinc/26/42/48/132264248.db2.gz IFIOOAYJUHXMIJ-MRXNPFEDSA-N 1 0 242.366 3.717 20 0 BHADRO Cc1cc(NC2CC(c3ccccc3)C2)cc[nH+]1 ZINC000302551337 178153671 /nfs/dbraw/zinc/15/36/71/178153671.db2.gz IICQYLQFLVDOSP-UHFFFAOYSA-N 1 0 238.334 3.748 20 0 BHADRO Cc1noc(C)c1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000302555810 385536489 /nfs/dbraw/zinc/53/64/89/385536489.db2.gz WSNFJUOAGPNQSR-JTQLQIEISA-N 1 0 238.375 3.596 20 0 BHADRO Cc1noc(C)c1C[NH2+][C@H](C)CCC(C)(C)C ZINC000302555812 385536374 /nfs/dbraw/zinc/53/63/74/385536374.db2.gz WSNFJUOAGPNQSR-SNVBAGLBSA-N 1 0 238.375 3.596 20 0 BHADRO Cc1cc(NCCCc2cccc(F)c2)cc[nH+]1 ZINC000302557398 178160286 /nfs/dbraw/zinc/16/02/86/178160286.db2.gz KANNDUPSQRBZGY-UHFFFAOYSA-N 1 0 244.313 3.574 20 0 BHADRO Cc1cc(NC[C@H](C)Cc2cccs2)cc[nH+]1 ZINC000302564845 178168685 /nfs/dbraw/zinc/16/86/85/178168685.db2.gz MTYVHFPNKRGJMB-LLVKDONJSA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cc(NC[C@@H](C)Cc2cccs2)cc[nH+]1 ZINC000302564846 178165193 /nfs/dbraw/zinc/16/51/93/178165193.db2.gz MTYVHFPNKRGJMB-NSHDSACASA-N 1 0 246.379 3.742 20 0 BHADRO Cc1cc(N[C@@H](C)Cc2ccccc2C)cc[nH+]1 ZINC000302574185 178179168 /nfs/dbraw/zinc/17/91/68/178179168.db2.gz QOCVNDNPQLHSPY-AWEZNQCLSA-N 1 0 240.350 3.742 20 0 BHADRO Cc1cc(N[C@H](C)Cc2ccccc2C)cc[nH+]1 ZINC000302574186 178185759 /nfs/dbraw/zinc/18/57/59/178185759.db2.gz QOCVNDNPQLHSPY-CQSZACIVSA-N 1 0 240.350 3.742 20 0 BHADRO Cc1cc(NCCOC2CCCCCC2)cc[nH+]1 ZINC000302574864 178161064 /nfs/dbraw/zinc/16/10/64/178161064.db2.gz QRDVGCJWFKJWBR-UHFFFAOYSA-N 1 0 248.370 3.541 20 0 BHADRO Cc1cc(NCCc2ccccc2Cl)cc[nH+]1 ZINC000302576406 178163046 /nfs/dbraw/zinc/16/30/46/178163046.db2.gz REBUPZKQIUBXJY-UHFFFAOYSA-N 1 0 246.741 3.698 20 0 BHADRO Cc1cc(N[C@H]2CCc3cc(F)ccc32)cc[nH+]1 ZINC000302577027 178190842 /nfs/dbraw/zinc/19/08/42/178190842.db2.gz RHRLVFLITMWJHG-HNNXBMFYSA-N 1 0 242.297 3.629 20 0 BHADRO Cc1cc(N[C@@H]2CCc3cc(F)ccc32)cc[nH+]1 ZINC000302577028 178183143 /nfs/dbraw/zinc/18/31/43/178183143.db2.gz RHRLVFLITMWJHG-OAHLLOKOSA-N 1 0 242.297 3.629 20 0 BHADRO Cc1cc(N(C)[C@H](C)c2ccccc2F)cc[nH+]1 ZINC000302583673 178100761 /nfs/dbraw/zinc/10/07/61/178100761.db2.gz TZAQCBIWMHTRNA-GFCCVEGCSA-N 1 0 244.313 3.727 20 0 BHADRO Cc1cc(N(C)[C@@H](C)c2ccccc2F)cc[nH+]1 ZINC000302583674 178100460 /nfs/dbraw/zinc/10/04/60/178100460.db2.gz TZAQCBIWMHTRNA-LBPRGKRZSA-N 1 0 244.313 3.727 20 0 BHADRO Cc1cc(N[C@@H](C)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000302585894 178178545 /nfs/dbraw/zinc/17/85/45/178178545.db2.gz UTEQJCPCHSUMON-KBPBESRZSA-N 1 0 240.350 3.994 20 0 BHADRO Cc1cc(N[C@@H](C)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000302585903 178178675 /nfs/dbraw/zinc/17/86/75/178178675.db2.gz UTEQJCPCHSUMON-KGLIPLIRSA-N 1 0 240.350 3.994 20 0 BHADRO Cc1cc(N[C@H](C)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000302585911 178186605 /nfs/dbraw/zinc/18/66/05/178186605.db2.gz UTEQJCPCHSUMON-UONOGXRCSA-N 1 0 240.350 3.994 20 0 BHADRO Cc1cc(N[C@H](C)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000302585921 178185837 /nfs/dbraw/zinc/18/58/37/178185837.db2.gz UTEQJCPCHSUMON-ZIAGYGMSSA-N 1 0 240.350 3.994 20 0 BHADRO CSc1ccc(CNc2cc[nH+]c(C)c2)cc1 ZINC000302592887 187207097 /nfs/dbraw/zinc/20/70/97/187207097.db2.gz WQSLDPULDSARQR-UHFFFAOYSA-N 1 0 244.363 3.724 20 0 BHADRO CCC(CC)(CC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000302600831 592550372 /nfs/dbraw/zinc/55/03/72/592550372.db2.gz ISLPRMJVANJJLZ-OAHLLOKOSA-N 1 0 249.398 3.669 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000302612009 350093376 /nfs/dbraw/zinc/09/33/76/350093376.db2.gz YFPFMWQWQWYILJ-KBPBESRZSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000302612011 350093269 /nfs/dbraw/zinc/09/32/69/350093269.db2.gz YFPFMWQWQWYILJ-UONOGXRCSA-N 1 0 249.423 3.789 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000302618383 169512550 /nfs/dbraw/zinc/51/25/50/169512550.db2.gz ZNHDIHIIOFVMRO-AEGPPILISA-N 1 0 249.423 3.869 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000302618387 385545899 /nfs/dbraw/zinc/54/58/99/385545899.db2.gz ZNHDIHIIOFVMRO-QEJZJMRPSA-N 1 0 249.423 3.869 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000302618389 385545718 /nfs/dbraw/zinc/54/57/18/385545718.db2.gz ZNHDIHIIOFVMRO-SNPRPXQTSA-N 1 0 249.423 3.869 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000302618390 385545094 /nfs/dbraw/zinc/54/50/94/385545094.db2.gz ZNHDIHIIOFVMRO-VHDGCEQUSA-N 1 0 249.423 3.869 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000302623226 533981669 /nfs/dbraw/zinc/98/16/69/533981669.db2.gz BHICTZTXQJUSJB-MMMKDXCPSA-N 1 0 233.330 3.665 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000302628246 345434507 /nfs/dbraw/zinc/43/45/07/345434507.db2.gz CIRVEGHQUZSHII-BVUBDWEXSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000302628247 345434338 /nfs/dbraw/zinc/43/43/38/345434338.db2.gz CIRVEGHQUZSHII-SLBVQIDZSA-N 1 0 229.367 3.834 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000302631696 323027458 /nfs/dbraw/zinc/02/74/58/323027458.db2.gz CZEPDYYVGFMECY-LLLHUVSDSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000302631703 323027488 /nfs/dbraw/zinc/02/74/88/323027488.db2.gz CZEPDYYVGFMECY-QMCVQRASSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000302631705 323027499 /nfs/dbraw/zinc/02/74/99/323027499.db2.gz CZEPDYYVGFMECY-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000302631707 323027466 /nfs/dbraw/zinc/02/74/66/323027466.db2.gz CZEPDYYVGFMECY-XLNGHYISSA-N 1 0 243.394 3.958 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000302632305 323027472 /nfs/dbraw/zinc/02/74/72/323027472.db2.gz DDCCLXNQPRZXJV-DDUYRFODSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000302632308 533173936 /nfs/dbraw/zinc/17/39/36/533173936.db2.gz DDCCLXNQPRZXJV-RUAUBTSSSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000302632964 323027507 /nfs/dbraw/zinc/02/75/07/323027507.db2.gz DFPZIASTISVFIK-OBCWZRDOSA-N 1 0 249.423 3.766 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000302642362 323027552 /nfs/dbraw/zinc/02/75/52/323027552.db2.gz GDIFZLOHCLRNLF-IMJJTQAJSA-N 1 0 229.367 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000302642375 323027480 /nfs/dbraw/zinc/02/74/80/323027480.db2.gz GDIFZLOHCLRNLF-NUEKZKHPSA-N 1 0 229.367 3.527 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000302648317 487823835 /nfs/dbraw/zinc/82/38/35/487823835.db2.gz HAXMLIDLCZNKMO-WMHQRMGPSA-N 1 0 229.367 3.834 20 0 BHADRO CC(C)=CCNc1cc[nH+]c2cc(F)ccc12 ZINC000302659494 323314037 /nfs/dbraw/zinc/31/40/37/323314037.db2.gz DRKCCKOQTZJGQN-UHFFFAOYSA-N 1 0 230.286 3.752 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1F ZINC000302665040 533523788 /nfs/dbraw/zinc/52/37/88/533523788.db2.gz KBLNOLWIQTXIMO-UQFNBPPOSA-N 1 0 233.330 3.665 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000302671208 487977055 /nfs/dbraw/zinc/97/70/55/487977055.db2.gz LODDDZKBPHIUNB-FRRDWIJNSA-N 1 0 249.423 3.804 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000302671211 350092686 /nfs/dbraw/zinc/09/26/86/350092686.db2.gz LODDDZKBPHIUNB-XQQFMLRXSA-N 1 0 249.423 3.804 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000302671212 350092383 /nfs/dbraw/zinc/09/23/83/350092383.db2.gz LODDDZKBPHIUNB-YNEHKIRRSA-N 1 0 249.423 3.804 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000302678660 323028216 /nfs/dbraw/zinc/02/82/16/323028216.db2.gz OSKGUMSVPNWLAU-DDUYRFODSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000302678663 533776162 /nfs/dbraw/zinc/77/61/62/533776162.db2.gz OSKGUMSVPNWLAU-RUAUBTSSSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000302685046 533982961 /nfs/dbraw/zinc/98/29/61/533982961.db2.gz RBEGXPGLEUHFHK-MMMKDXCPSA-N 1 0 233.330 3.665 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000302692514 487977626 /nfs/dbraw/zinc/97/76/26/487977626.db2.gz SXZNZMKXWCBNJJ-AYRXBEOTSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000302692515 487977618 /nfs/dbraw/zinc/97/76/18/487977618.db2.gz SXZNZMKXWCBNJJ-OSRDXIQISA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000302692521 229284654 /nfs/dbraw/zinc/28/46/54/229284654.db2.gz SXZNZMKXWCBNJJ-RJZRQDKASA-N 1 0 245.366 3.534 20 0 BHADRO Cc1cccc(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000302734812 356625871 /nfs/dbraw/zinc/62/58/71/356625871.db2.gz BTALTSQSPMGTIG-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000302737798 533691313 /nfs/dbraw/zinc/69/13/13/533691313.db2.gz GTQJEBBLASRASG-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000302737799 229285398 /nfs/dbraw/zinc/28/53/98/229285398.db2.gz GTQJEBBLASRASG-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000302738520 356625812 /nfs/dbraw/zinc/62/58/12/356625812.db2.gz HWZHJCHRGNJOHB-OAHLLOKOSA-N 1 0 247.382 3.720 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000302740208 229285178 /nfs/dbraw/zinc/28/51/78/229285178.db2.gz JSBNEDKEWFCVTL-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000302740890 352651016 /nfs/dbraw/zinc/65/10/16/352651016.db2.gz KGNHMONDXHJLKW-HNNXBMFYSA-N 1 0 217.356 3.760 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000302740891 350093321 /nfs/dbraw/zinc/09/33/21/350093321.db2.gz KGNHMONDXHJLKW-OAHLLOKOSA-N 1 0 217.356 3.760 20 0 BHADRO COc1ccc([C@@H]2CCC[N@@H+]2CC=C(C)C)cc1 ZINC000302741306 388848635 /nfs/dbraw/zinc/84/86/35/388848635.db2.gz AMJRMKZRBWGBNR-INIZCTEOSA-N 1 0 245.366 3.798 20 0 BHADRO COc1ccc([C@H]2CCC[N@@H+]2CC=C(C)C)cc1 ZINC000302741307 388848030 /nfs/dbraw/zinc/84/80/30/388848030.db2.gz AMJRMKZRBWGBNR-MRXNPFEDSA-N 1 0 245.366 3.798 20 0 BHADRO Cc1cc(NCc2ccc(C3CC3)cc2)cc[nH+]1 ZINC000302742194 178171536 /nfs/dbraw/zinc/17/15/36/178171536.db2.gz ZLJRTDAWEFLJEP-UHFFFAOYSA-N 1 0 238.334 3.880 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)s1)C(C)C ZINC000302742789 346610021 /nfs/dbraw/zinc/61/00/21/346610021.db2.gz MGFOTMAONPLXKM-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CCCC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000302745652 356625716 /nfs/dbraw/zinc/62/57/16/356625716.db2.gz PRNCNRQJUXHQNO-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000302749549 528854346 /nfs/dbraw/zinc/85/43/46/528854346.db2.gz VMXWIJBRDSJWNX-UHFFFAOYSA-N 1 0 249.354 3.909 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1ccccc1F ZINC000302750296 528854928 /nfs/dbraw/zinc/85/49/28/528854928.db2.gz VSLBBMXSNSQPEE-UHFFFAOYSA-N 1 0 249.354 3.909 20 0 BHADRO C[C@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302752384 534136660 /nfs/dbraw/zinc/13/66/60/534136660.db2.gz XSZCMYQZTKHGPU-HZSPNIEDSA-N 1 0 217.356 3.726 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302752385 534112483 /nfs/dbraw/zinc/11/24/83/534112483.db2.gz XSZCMYQZTKHGPU-MCIONIFRSA-N 1 0 217.356 3.726 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302752386 534136739 /nfs/dbraw/zinc/13/67/39/534136739.db2.gz XSZCMYQZTKHGPU-MGPQQGTHSA-N 1 0 217.356 3.726 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302752387 534113225 /nfs/dbraw/zinc/11/32/25/534113225.db2.gz XSZCMYQZTKHGPU-MJBXVCDLSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1cc(NCc2cc(Cl)ccc2C)cc[nH+]1 ZINC000302769721 178171556 /nfs/dbraw/zinc/17/15/56/178171556.db2.gz MNRWVLCUBNCESB-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO Cc1cc(N2CCC(C)(C(C)C)CC2)cc[nH+]1 ZINC000302782338 132266319 /nfs/dbraw/zinc/26/63/19/132266319.db2.gz SPFDZAOTLKQGRP-UHFFFAOYSA-N 1 0 232.371 3.653 20 0 BHADRO CC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000302805517 528785868 /nfs/dbraw/zinc/78/58/68/528785868.db2.gz BSMSBFMEBRDSHS-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302808800 490602676 /nfs/dbraw/zinc/60/26/76/490602676.db2.gz JPWYBNKOJBPQRX-FRRDWIJNSA-N 1 0 235.346 3.865 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302808802 490602875 /nfs/dbraw/zinc/60/28/75/490602875.db2.gz JPWYBNKOJBPQRX-JHJVBQTASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302808805 490602631 /nfs/dbraw/zinc/60/26/31/490602631.db2.gz JPWYBNKOJBPQRX-UPJWGTAASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302808807 490602856 /nfs/dbraw/zinc/60/28/56/490602856.db2.gz JPWYBNKOJBPQRX-XQQFMLRXSA-N 1 0 235.346 3.865 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000302811504 490602644 /nfs/dbraw/zinc/60/26/44/490602644.db2.gz RBHAOVHKQDCRQW-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000302811506 490602655 /nfs/dbraw/zinc/60/26/55/490602655.db2.gz RBHAOVHKQDCRQW-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO COc1cccc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000302811643 490602648 /nfs/dbraw/zinc/60/26/48/490602648.db2.gz OAACVGRMYDYTIL-UHFFFAOYSA-N 1 0 249.398 3.809 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000302812056 490602971 /nfs/dbraw/zinc/60/29/71/490602971.db2.gz RNPIKWTYBWLJFI-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000302812057 490602658 /nfs/dbraw/zinc/60/26/58/490602658.db2.gz RNPIKWTYBWLJFI-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO CCC[NH+](CCC)Cc1ccccc1C ZINC000302812680 388849018 /nfs/dbraw/zinc/84/90/18/388849018.db2.gz QEFYEGQZIPGYFT-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO CCC[NH+](CCC)Cc1cccc(Cl)c1 ZINC000302817728 388847697 /nfs/dbraw/zinc/84/76/97/388847697.db2.gz YLIMZWXBQIYMNG-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO COc1ccc(CC[NH+]2CCCCCCC2)cc1 ZINC000302831248 644787699 /nfs/dbraw/zinc/78/76/99/644787699.db2.gz BBNRRCAFYPPZKU-UHFFFAOYSA-N 1 0 247.382 3.504 20 0 BHADRO CCC[N@@H+](Cc1ccccc1C)CC1CC1 ZINC000302831614 528147226 /nfs/dbraw/zinc/14/72/26/528147226.db2.gz BXWLSPOYECAORM-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCCC[N@H+](CC)CCCc1ccccc1 ZINC000302831940 490604992 /nfs/dbraw/zinc/60/49/92/490604992.db2.gz DIDVIWAHVZTAOR-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO COc1ccccc1C[N@H+](C)CC1CCCCC1 ZINC000302832153 534059564 /nfs/dbraw/zinc/05/95/64/534059564.db2.gz FRBYHQHVZCNXRO-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000302832351 490111776 /nfs/dbraw/zinc/11/17/76/490111776.db2.gz HHXHOZAIZKSQDD-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccccc1F ZINC000302832355 644787357 /nfs/dbraw/zinc/78/73/57/644787357.db2.gz HJKNUVSWXZEGCH-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO CCC[N@H+](CCCc1ccccc1)CC1CC1 ZINC000302832408 490604923 /nfs/dbraw/zinc/60/49/23/490604923.db2.gz HYJANNJHSNARGB-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO CCCCC[N@H+](C)Cc1ccccc1Cl ZINC000302832499 490605049 /nfs/dbraw/zinc/60/50/49/490605049.db2.gz IREOYMIXCOHXEY-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000302832521 490605032 /nfs/dbraw/zinc/60/50/32/490605032.db2.gz IVJMYAFMRFXOQE-UHFFFAOYSA-N 1 0 225.763 3.962 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000302832786 644787483 /nfs/dbraw/zinc/78/74/83/644787483.db2.gz JMFSRZZGVWUPHF-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000302832850 644787191 /nfs/dbraw/zinc/78/71/91/644787191.db2.gz KGXKWJPNRBOESP-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000302833025 490605668 /nfs/dbraw/zinc/60/56/68/490605668.db2.gz KSGSZIZAMAHMRJ-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccccc1OC ZINC000302833039 644786810 /nfs/dbraw/zinc/78/68/10/644786810.db2.gz KYNGQKXBJFMWCF-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CCCCC[N@H+](C)Cc1ccc(C)cc1 ZINC000302833047 490605679 /nfs/dbraw/zinc/60/56/79/490605679.db2.gz KZUFAQQENUGXJJ-UHFFFAOYSA-N 1 0 205.345 3.617 20 0 BHADRO Cc1ccccc1C[N@H+](C)CCc1ccccc1 ZINC000302833096 490605653 /nfs/dbraw/zinc/60/56/53/490605653.db2.gz LHUOGCQXRMUFFP-UHFFFAOYSA-N 1 0 239.362 3.670 20 0 BHADRO CCC[N@@H+](Cc1cccc(Cl)c1)CC1CC1 ZINC000302833517 388850020 /nfs/dbraw/zinc/85/00/20/388850020.db2.gz NURHWQWBJFTEMN-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccccc1Cl ZINC000302833562 490604304 /nfs/dbraw/zinc/60/43/04/490604304.db2.gz OXKQZQMXTQHDDJ-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CCC[N@@H+](Cc1cc(C)ccc1C)CC1CC1 ZINC000302833772 490604403 /nfs/dbraw/zinc/60/44/03/490604403.db2.gz QTTAUQQYOOTVFP-UHFFFAOYSA-N 1 0 231.383 3.925 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(F)c(F)c1 ZINC000302834059 528394090 /nfs/dbraw/zinc/39/40/90/528394090.db2.gz SCCFIXBPTPMNCA-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO CCCCCC[N@H+](C)CCOc1ccccc1 ZINC000302834075 636298884 /nfs/dbraw/zinc/29/88/84/636298884.db2.gz SJRWQEBXJXQGHB-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO C(C1CCCCC1)[NH+]1CCCCCCC1 ZINC000302834569 635916742 /nfs/dbraw/zinc/91/67/42/635916742.db2.gz VFZXYNUWYXJYHJ-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO CCCCCC[N@H+](C)Cc1cccc(F)c1 ZINC000302834988 644787163 /nfs/dbraw/zinc/78/71/63/644787163.db2.gz YOMZFHXUVRMKPH-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO C[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000302836128 388849835 /nfs/dbraw/zinc/84/98/35/388849835.db2.gz DWDGKIDTMCYJQN-UHFFFAOYSA-N 1 0 243.325 3.500 20 0 BHADRO C[N@H+](Cc1cccc(F)c1F)C1CCCCC1 ZINC000302836137 529995208 /nfs/dbraw/zinc/99/52/08/529995208.db2.gz DWSRDLUJTGJZSX-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO C[N@@H+](Cc1ccc(F)cc1)CC1CCCCC1 ZINC000302836877 529987974 /nfs/dbraw/zinc/98/79/74/529987974.db2.gz IYNZTMVPMFIQJW-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO Fc1cccc(C[NH+]2CCCCCCC2)c1F ZINC000302836906 636298730 /nfs/dbraw/zinc/29/87/30/636298730.db2.gz JKJWRGXEMMUDEX-UHFFFAOYSA-N 1 0 239.309 3.731 20 0 BHADRO C[N@@H+](Cc1cccc(F)c1)CC1CCCCC1 ZINC000302837642 529994814 /nfs/dbraw/zinc/99/48/14/529994814.db2.gz NSDMEBITZVLKOM-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO COc1ccc(C[N@H+](C)CC2CCCCC2)cc1 ZINC000302838248 533537772 /nfs/dbraw/zinc/53/77/72/533537772.db2.gz QTQDCYIFQZEHHY-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[N@H+](CCc1ccccc1)Cc1ccccc1F ZINC000302838913 388849843 /nfs/dbraw/zinc/84/98/43/388849843.db2.gz UAZQDTSDCRECLT-UHFFFAOYSA-N 1 0 243.325 3.500 20 0 BHADRO Cc1ccc(C[N@H+](C)CCc2ccccc2)cc1 ZINC000302839214 388850487 /nfs/dbraw/zinc/85/04/87/388850487.db2.gz VPGXURGGXWXRNZ-UHFFFAOYSA-N 1 0 239.362 3.670 20 0 BHADRO C[N@@H+](Cc1ccccc1F)CC1CCCCC1 ZINC000302839216 490606748 /nfs/dbraw/zinc/60/67/48/490606748.db2.gz VPUPVMNOXZOJSH-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO C[N@H+](CCc1ccccc1)Cc1cccc(F)c1 ZINC000302839607 490606687 /nfs/dbraw/zinc/60/66/87/490606687.db2.gz XVNPNLAFTCCJIZ-UHFFFAOYSA-N 1 0 243.325 3.500 20 0 BHADRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(C)C)cc1 ZINC000302843369 490607416 /nfs/dbraw/zinc/60/74/16/490607416.db2.gz BUGTWPARRBXDTB-INIZCTEOSA-N 1 0 247.382 3.878 20 0 BHADRO COc1ccc([C@H]2CCC[N@@H+]2CCC(C)C)cc1 ZINC000302843371 490607454 /nfs/dbraw/zinc/60/74/54/490607454.db2.gz BUGTWPARRBXDTB-MRXNPFEDSA-N 1 0 247.382 3.878 20 0 BHADRO COc1ccc(C[N@H+](CCC(C)C)C2CC2)cc1 ZINC000302844848 490607498 /nfs/dbraw/zinc/60/74/98/490607498.db2.gz CITRLCDTVFOFJG-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCCCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000302845510 490607358 /nfs/dbraw/zinc/60/73/58/490607358.db2.gz FDYUVEIKEYKXFZ-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000302846511 490607624 /nfs/dbraw/zinc/60/76/24/490607624.db2.gz IFNNHJBJDPQRMN-GFCCVEGCSA-N 1 0 223.385 3.931 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000302846512 490607641 /nfs/dbraw/zinc/60/76/41/490607641.db2.gz IFNNHJBJDPQRMN-LBPRGKRZSA-N 1 0 223.385 3.931 20 0 BHADRO CCCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000302847097 323031740 /nfs/dbraw/zinc/03/17/40/323031740.db2.gz JUFUPAJCYKIADL-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1cccs1 ZINC000302847124 528405594 /nfs/dbraw/zinc/40/55/94/528405594.db2.gz KHMATTBKUMRSMH-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CCCCC[N@H+](CC)Cc1cccs1 ZINC000302851299 528166896 /nfs/dbraw/zinc/16/68/96/528166896.db2.gz YXHNBKMGYQBSIS-UHFFFAOYSA-N 1 0 211.374 3.760 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC000302853710 490610413 /nfs/dbraw/zinc/61/04/13/490610413.db2.gz GECSUOYQBVTWRC-CYBMUJFWSA-N 1 0 205.345 3.726 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000302853712 490610493 /nfs/dbraw/zinc/61/04/93/490610493.db2.gz GECSUOYQBVTWRC-ZDUSSCGKSA-N 1 0 205.345 3.726 20 0 BHADRO CC(C)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000302858218 166834318 /nfs/dbraw/zinc/83/43/18/166834318.db2.gz RSWJRNJBNSJDCJ-UHFFFAOYSA-N 1 0 247.338 3.921 20 0 BHADRO C[N@H+](Cc1c(F)cccc1Cl)C1CCCC1 ZINC000302874091 529974258 /nfs/dbraw/zinc/97/42/58/529974258.db2.gz BZGQNBJITLLOQX-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)C2CCCC2)c1 ZINC000302874294 229287694 /nfs/dbraw/zinc/28/76/94/229287694.db2.gz CMIUINPFFDXUKE-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cccc(C)c1OCC[N@@H+](C)C1CCCC1 ZINC000302874298 534680620 /nfs/dbraw/zinc/68/06/20/534680620.db2.gz CNLKOVFVDGVFNQ-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000302874604 529988182 /nfs/dbraw/zinc/98/81/82/529988182.db2.gz FCUXKBDJNJRSJI-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO Cc1ccc(C)c(OCC[N@@H+](C)C2CCCC2)c1 ZINC000302875444 229288095 /nfs/dbraw/zinc/28/80/95/229288095.db2.gz JOHRQQFICHMLRQ-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)C2CCCC2)c1 ZINC000302876474 533662442 /nfs/dbraw/zinc/66/24/42/533662442.db2.gz OUOZAECHMJASMC-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CCCC[N@H+](CCOC)[C@@H](CC)c1ccccc1 ZINC000302944984 323033883 /nfs/dbraw/zinc/03/38/83/323033883.db2.gz CAGNUUQYEMGKHW-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CCCC[N@H+](CCOC)[C@H](CC)c1ccccc1 ZINC000302945544 323033845 /nfs/dbraw/zinc/03/38/45/323033845.db2.gz CAGNUUQYEMGKHW-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000302949289 388849559 /nfs/dbraw/zinc/84/95/59/388849559.db2.gz CYKQTBBFEFPAIU-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO CCCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000302956643 323155219 /nfs/dbraw/zinc/15/52/19/323155219.db2.gz FPKCWYWIQVLKOC-AWEZNQCLSA-N 1 0 205.345 3.870 20 0 BHADRO CCCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC000302956645 323155290 /nfs/dbraw/zinc/15/52/90/323155290.db2.gz FPKCWYWIQVLKOC-CQSZACIVSA-N 1 0 205.345 3.870 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000302978952 388849714 /nfs/dbraw/zinc/84/97/14/388849714.db2.gz PLMNVYIVAJCVMX-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000302978954 388850322 /nfs/dbraw/zinc/85/03/22/388850322.db2.gz PLMNVYIVAJCVMX-CQSZACIVSA-N 1 0 209.377 3.687 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000302982802 528269301 /nfs/dbraw/zinc/26/93/01/528269301.db2.gz JYEYCMLLWJQQNR-SECBINFHSA-N 1 0 229.726 3.882 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000302982803 528234008 /nfs/dbraw/zinc/23/40/08/528234008.db2.gz JYEYCMLLWJQQNR-VIFPVBQESA-N 1 0 229.726 3.882 20 0 BHADRO CC(C)([NH2+]CC1CCCC1)c1ccccc1 ZINC000302991283 527289946 /nfs/dbraw/zinc/28/99/46/527289946.db2.gz FWQYQJGKTODJGP-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO COc1ccc(CCC[N@H+](C)CCC(C)C)cc1 ZINC000302999089 533469247 /nfs/dbraw/zinc/46/92/47/533469247.db2.gz MNVBRPBUGSDYRK-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[NH+](CC)CC ZINC000303014132 529179073 /nfs/dbraw/zinc/17/90/73/529179073.db2.gz ROTGMURWMXDTEC-CYBMUJFWSA-N 1 0 209.308 3.619 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[NH+](CC)CC ZINC000303014133 529255293 /nfs/dbraw/zinc/25/52/93/529255293.db2.gz ROTGMURWMXDTEC-ZDUSSCGKSA-N 1 0 209.308 3.619 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1cccc(Cl)c1 ZINC000303043194 528234987 /nfs/dbraw/zinc/23/49/87/528234987.db2.gz WQETXWQGZJEYTL-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CC[NH+](CC)[C@H](C)c1cccc(Cl)c1 ZINC000303043195 528269772 /nfs/dbraw/zinc/26/97/72/528269772.db2.gz WQETXWQGZJEYTL-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000303048819 323156043 /nfs/dbraw/zinc/15/60/43/323156043.db2.gz XSLVBLHHSZIADM-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000303048820 323155967 /nfs/dbraw/zinc/15/59/67/323155967.db2.gz XSLVBLHHSZIADM-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CC(C)([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000303055092 527298922 /nfs/dbraw/zinc/29/89/22/527298922.db2.gz AHIULEHJQVYRBZ-AWEZNQCLSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000303055096 527299034 /nfs/dbraw/zinc/29/90/34/527299034.db2.gz AHIULEHJQVYRBZ-CQSZACIVSA-N 1 0 215.340 3.620 20 0 BHADRO COc1c(C)cc(C[NH2+]CCCC(C)C)cc1C ZINC000303063767 636300947 /nfs/dbraw/zinc/30/09/47/636300947.db2.gz YILDIPSSSRJGSM-UHFFFAOYSA-N 1 0 249.398 3.838 20 0 BHADRO CC(C)(C)CC[NH2+]C(C)(C)c1ccccc1 ZINC000303066080 644803070 /nfs/dbraw/zinc/80/30/70/644803070.db2.gz RYDYWHJPGKNWSX-UHFFFAOYSA-N 1 0 219.372 3.948 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC000303173540 323156234 /nfs/dbraw/zinc/15/62/34/323156234.db2.gz JOYMOJHGLCFYJS-HNNXBMFYSA-N 1 0 247.382 3.878 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(C)C ZINC000303173543 323156287 /nfs/dbraw/zinc/15/62/87/323156287.db2.gz JOYMOJHGLCFYJS-OAHLLOKOSA-N 1 0 247.382 3.878 20 0 BHADRO CC(C)C[N@H+](C)CCc1cccc2ccccc21 ZINC000303183069 527914761 /nfs/dbraw/zinc/91/47/61/527914761.db2.gz XSHXDFJKWDLKSB-UHFFFAOYSA-N 1 0 241.378 3.970 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]CC(C)(C)C ZINC000303214894 386993974 /nfs/dbraw/zinc/99/39/74/386993974.db2.gz SOTJSCGHNSCIBO-UHFFFAOYSA-N 1 0 233.399 3.908 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000303223342 534485781 /nfs/dbraw/zinc/48/57/81/534485781.db2.gz VXQWSEWBAYUAIO-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000303223344 534484965 /nfs/dbraw/zinc/48/49/65/534484965.db2.gz VXQWSEWBAYUAIO-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000303273542 259363604 /nfs/dbraw/zinc/36/36/04/259363604.db2.gz RWDOXEUKZKKDHZ-UHFFFAOYSA-N 1 0 223.747 3.719 20 0 BHADRO CC(C)C([NH2+]Cc1cccc(F)c1)C(C)C ZINC000303390945 491114948 /nfs/dbraw/zinc/11/49/48/491114948.db2.gz HPGPQYOWVJSPJC-UHFFFAOYSA-N 1 0 223.335 3.596 20 0 BHADRO CC(C)C([NH2+]Cc1ccccc1F)C(C)C ZINC000303392106 491114724 /nfs/dbraw/zinc/11/47/24/491114724.db2.gz SOOOZJUBJYIUCH-UHFFFAOYSA-N 1 0 223.335 3.596 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000303392578 491114927 /nfs/dbraw/zinc/11/49/27/491114927.db2.gz CEYWLXXPDRXYAJ-NEPJUHHUSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H](C)C(C)(C)C ZINC000303392580 491114942 /nfs/dbraw/zinc/11/49/42/491114942.db2.gz CEYWLXXPDRXYAJ-NWDGAFQWSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1cccs1)C(C)(C)C ZINC000303392581 491114940 /nfs/dbraw/zinc/11/49/40/491114940.db2.gz CEYWLXXPDRXYAJ-RYUDHWBXSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000303392583 491114902 /nfs/dbraw/zinc/11/49/02/491114902.db2.gz CEYWLXXPDRXYAJ-VXGBXAGGSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000303394561 491114941 /nfs/dbraw/zinc/11/49/41/491114941.db2.gz WDPYQUSKZJBHRL-NEPJUHHUSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)C(C)(C)C ZINC000303394563 491114933 /nfs/dbraw/zinc/11/49/33/491114933.db2.gz WDPYQUSKZJBHRL-NWDGAFQWSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1ccsc1)C(C)(C)C ZINC000303394565 491114910 /nfs/dbraw/zinc/11/49/10/491114910.db2.gz WDPYQUSKZJBHRL-RYUDHWBXSA-N 1 0 239.428 3.951 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000303394568 491114958 /nfs/dbraw/zinc/11/49/58/491114958.db2.gz WDPYQUSKZJBHRL-VXGBXAGGSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)(C)CCCCNC(=[NH2+])Nc1ccccc1 ZINC000303408922 644822271 /nfs/dbraw/zinc/82/22/71/644822271.db2.gz UUGYZYFIVKJXHX-UHFFFAOYSA-N 1 0 247.386 3.839 20 0 BHADRO CC1CCC(C)([NH2+]Cc2ccccc2F)CC1 ZINC000303420865 388857412 /nfs/dbraw/zinc/85/74/12/388857412.db2.gz XYNJLDZDIQLYGH-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCc1ccccc1Cl ZINC000303442936 350118640 /nfs/dbraw/zinc/11/86/40/350118640.db2.gz GDFANLGSKYYXGF-GFCCVEGCSA-N 1 0 239.790 3.860 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCc1ccccc1Cl ZINC000303442937 350118540 /nfs/dbraw/zinc/11/85/40/350118540.db2.gz GDFANLGSKYYXGF-LBPRGKRZSA-N 1 0 239.790 3.860 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000303456577 529314793 /nfs/dbraw/zinc/31/47/93/529314793.db2.gz KEHSNCBDIQNXAA-CHWSQXEVSA-N 1 0 205.345 3.726 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000303456578 529314545 /nfs/dbraw/zinc/31/45/45/529314545.db2.gz KEHSNCBDIQNXAA-OLZOCXBDSA-N 1 0 205.345 3.726 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000303456579 529651958 /nfs/dbraw/zinc/65/19/58/529651958.db2.gz KEHSNCBDIQNXAA-QWHCGFSZSA-N 1 0 205.345 3.726 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000303456580 529651779 /nfs/dbraw/zinc/65/17/79/529651779.db2.gz KEHSNCBDIQNXAA-STQMWFEESA-N 1 0 205.345 3.726 20 0 BHADRO CCS[C@@H]1CCCC[N@H+](CCC(C)C)C1 ZINC000303477208 529206275 /nfs/dbraw/zinc/20/62/75/529206275.db2.gz SCWMRVZXDUQJGT-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CCS[C@H]1CCCC[N@H+](CCC(C)C)C1 ZINC000303477209 529225341 /nfs/dbraw/zinc/22/53/41/529225341.db2.gz SCWMRVZXDUQJGT-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000303492931 529314550 /nfs/dbraw/zinc/31/45/50/529314550.db2.gz SNMOXPAGKZYMDJ-NEPJUHHUSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000303492937 529651593 /nfs/dbraw/zinc/65/15/93/529651593.db2.gz SNMOXPAGKZYMDJ-NWDGAFQWSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000303492944 529651731 /nfs/dbraw/zinc/65/17/31/529651731.db2.gz SNMOXPAGKZYMDJ-RYUDHWBXSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000303492951 529314817 /nfs/dbraw/zinc/31/48/17/529314817.db2.gz SNMOXPAGKZYMDJ-VXGBXAGGSA-N 1 0 223.335 3.865 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C(C(C)C)C(C)C)o1 ZINC000303497280 490163458 /nfs/dbraw/zinc/16/34/58/490163458.db2.gz QLMADHJIAIFSAK-GFCCVEGCSA-N 1 0 223.360 3.919 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C(C(C)C)C(C)C)o1 ZINC000303497285 490163635 /nfs/dbraw/zinc/16/36/35/490163635.db2.gz QLMADHJIAIFSAK-LBPRGKRZSA-N 1 0 223.360 3.919 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000303513064 350125475 /nfs/dbraw/zinc/12/54/75/350125475.db2.gz XHWKBQGYDXNELF-JTQLQIEISA-N 1 0 243.753 3.957 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000303513065 350124757 /nfs/dbraw/zinc/12/47/57/350124757.db2.gz XHWKBQGYDXNELF-SNVBAGLBSA-N 1 0 243.753 3.957 20 0 BHADRO CC(C)Cc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC000303519977 528654698 /nfs/dbraw/zinc/65/46/98/528654698.db2.gz DCEKYDOZQQNMSW-GFCCVEGCSA-N 1 0 223.335 3.505 20 0 BHADRO CC(C)Cc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC000303519978 528657934 /nfs/dbraw/zinc/65/79/34/528657934.db2.gz DCEKYDOZQQNMSW-LBPRGKRZSA-N 1 0 223.335 3.505 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccc(C(C)(C)C)cc1 ZINC000303520035 533392284 /nfs/dbraw/zinc/39/22/84/533392284.db2.gz IWBPDZNFYKDVQO-LLVKDONJSA-N 1 0 223.335 3.604 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccc(C(C)(C)C)cc1 ZINC000303520037 533853958 /nfs/dbraw/zinc/85/39/58/533853958.db2.gz IWBPDZNFYKDVQO-NSHDSACASA-N 1 0 223.335 3.604 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+]CCF)c1ccccc1 ZINC000303520669 387373562 /nfs/dbraw/zinc/37/35/62/387373562.db2.gz VMSUGBQUYZPGFS-CYBMUJFWSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)(C)C[C@H]([NH2+]CCF)c1ccccc1 ZINC000303520672 387373672 /nfs/dbraw/zinc/37/36/72/387373672.db2.gz VMSUGBQUYZPGFS-ZDUSSCGKSA-N 1 0 223.335 3.723 20 0 BHADRO CCCCC[C@H]([NH2+]CCF)c1ccccc1 ZINC000303520685 644829740 /nfs/dbraw/zinc/82/97/40/644829740.db2.gz XCFJAFCJIFHRHW-AWEZNQCLSA-N 1 0 223.335 3.867 20 0 BHADRO CCCCC[C@@H]([NH2+]CCF)c1ccccc1 ZINC000303520687 644831161 /nfs/dbraw/zinc/83/11/61/644831161.db2.gz XCFJAFCJIFHRHW-CQSZACIVSA-N 1 0 223.335 3.867 20 0 BHADRO CC(C)CC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000303521985 387011895 /nfs/dbraw/zinc/01/18/95/387011895.db2.gz DESNXHHDAQENNO-INIZCTEOSA-N 1 0 231.383 3.522 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000303521986 388857280 /nfs/dbraw/zinc/85/72/80/388857280.db2.gz DESNXHHDAQENNO-MRXNPFEDSA-N 1 0 231.383 3.522 20 0 BHADRO CC(C)C([NH2+]CCCCC(F)(F)F)C(C)C ZINC000303525812 491116025 /nfs/dbraw/zinc/11/60/25/491116025.db2.gz IJVNYDKHHNFNCO-UHFFFAOYSA-N 1 0 239.325 3.989 20 0 BHADRO CCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303533847 388857946 /nfs/dbraw/zinc/85/79/46/388857946.db2.gz GIPZWYAUCSWVLS-AWEZNQCLSA-N 1 0 207.361 3.609 20 0 BHADRO CCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303533849 259658377 /nfs/dbraw/zinc/65/83/77/259658377.db2.gz GIPZWYAUCSWVLS-CQSZACIVSA-N 1 0 207.361 3.609 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303554383 636309740 /nfs/dbraw/zinc/30/97/40/636309740.db2.gz KCQCPUSMXMBRRZ-NEXMIYJRSA-N 1 0 225.763 3.561 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303554384 644829705 /nfs/dbraw/zinc/82/97/05/644829705.db2.gz KCQCPUSMXMBRRZ-OMDQHUAHSA-N 1 0 225.763 3.561 20 0 BHADRO CCCC[N@H+](CCCO)[C@@H](CC)c1ccccc1 ZINC000303578959 388858689 /nfs/dbraw/zinc/85/86/89/388858689.db2.gz DFFHXHMWEPCVIH-INIZCTEOSA-N 1 0 249.398 3.622 20 0 BHADRO CCCC[N@H+](CCCO)[C@H](CC)c1ccccc1 ZINC000303578961 388858790 /nfs/dbraw/zinc/85/87/90/388858790.db2.gz DFFHXHMWEPCVIH-MRXNPFEDSA-N 1 0 249.398 3.622 20 0 BHADRO CCCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000303580856 528398030 /nfs/dbraw/zinc/39/80/30/528398030.db2.gz KJKNHPXEONVHPU-UHFFFAOYSA-N 1 0 237.362 3.880 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000303604413 323159746 /nfs/dbraw/zinc/15/97/46/323159746.db2.gz KJZFHBXFXWHIIA-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000303604415 323159794 /nfs/dbraw/zinc/15/97/94/323159794.db2.gz KJZFHBXFXWHIIA-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303618862 388860093 /nfs/dbraw/zinc/86/00/93/388860093.db2.gz WPXVFUAPILMNPK-HNNXBMFYSA-N 1 0 221.388 3.855 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303618863 388859179 /nfs/dbraw/zinc/85/91/79/388859179.db2.gz WPXVFUAPILMNPK-OAHLLOKOSA-N 1 0 221.388 3.855 20 0 BHADRO CC1CCC(C)([NH2+]Cc2cccc(F)c2)CC1 ZINC000303636660 369429648 /nfs/dbraw/zinc/42/96/48/369429648.db2.gz GWHNSJUIJMAVNT-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO CCN(CCCCCOC)c1ccccc1C ZINC000303638281 323159782 /nfs/dbraw/zinc/15/97/82/323159782.db2.gz HEMTTYDEQNUWNV-UHFFFAOYSA-N 1 0 235.371 3.638 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)c1 ZINC000303651775 323159933 /nfs/dbraw/zinc/15/99/33/323159933.db2.gz BGGYXKIYONQQKB-INWMFGNUSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)c1 ZINC000303651779 323159836 /nfs/dbraw/zinc/15/98/36/323159836.db2.gz BGGYXKIYONQQKB-IVMMDQJWSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)c1 ZINC000303651783 323159873 /nfs/dbraw/zinc/15/98/73/323159873.db2.gz BGGYXKIYONQQKB-XNRPHZJLSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)c1 ZINC000303651787 323159832 /nfs/dbraw/zinc/15/98/32/323159832.db2.gz BGGYXKIYONQQKB-XPKDYRNWSA-N 1 0 247.357 3.979 20 0 BHADRO COc1ccc(C[NH2+]C2(C)CCC(C)CC2)cc1 ZINC000303654195 323159851 /nfs/dbraw/zinc/15/98/51/323159851.db2.gz LEAZUUKBFGJZJN-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000303655224 369430183 /nfs/dbraw/zinc/43/01/83/369430183.db2.gz CCZYOCBKLMEACO-HNNXBMFYSA-N 1 0 249.423 3.967 20 0 BHADRO CCCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000303655226 369430165 /nfs/dbraw/zinc/43/01/65/369430165.db2.gz CCZYOCBKLMEACO-OAHLLOKOSA-N 1 0 249.423 3.967 20 0 BHADRO COc1cccc(C[N@@H+]2CCCC[C@H]2C(C)C)c1 ZINC000303659333 369430753 /nfs/dbraw/zinc/43/07/53/369430753.db2.gz HBDHNPAGOITVQH-INIZCTEOSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000303659334 369430727 /nfs/dbraw/zinc/43/07/27/369430727.db2.gz HBDHNPAGOITVQH-MRXNPFEDSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000303669477 388859681 /nfs/dbraw/zinc/85/96/81/388859681.db2.gz JIGOEVLCGJHIDI-HNNXBMFYSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000303669478 388858739 /nfs/dbraw/zinc/85/87/39/388858739.db2.gz JIGOEVLCGJHIDI-OAHLLOKOSA-N 1 0 235.346 3.836 20 0 BHADRO CCCCC[N@H+](C)Cc1ccccc1OCC ZINC000303673254 369431892 /nfs/dbraw/zinc/43/18/92/369431892.db2.gz GZKXFGPUQWYWIX-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](C/C=C/Cl)C1 ZINC000303675887 644834556 /nfs/dbraw/zinc/83/45/56/644834556.db2.gz XYAJKLKZIVRVMC-WCLQSUPFSA-N 1 0 249.785 3.793 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](C/C=C/Cl)C1 ZINC000303675888 644835553 /nfs/dbraw/zinc/83/55/53/644835553.db2.gz XYAJKLKZIVRVMC-WGPYJDKQSA-N 1 0 249.785 3.793 20 0 BHADRO CC1CCC(C)([NH2+]Cc2ccc(F)cc2)CC1 ZINC000303682349 323160235 /nfs/dbraw/zinc/16/02/35/323160235.db2.gz SFELDHNCRSLICT-UHFFFAOYSA-N 1 0 235.346 3.884 20 0 BHADRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCCCCCC1 ZINC000303684598 644838162 /nfs/dbraw/zinc/83/81/62/644838162.db2.gz KASOIVJVDRQQBZ-AWEZNQCLSA-N 1 0 242.366 3.885 20 0 BHADRO CC(C)CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000303688495 323160238 /nfs/dbraw/zinc/16/02/38/323160238.db2.gz LEJUMLUDTIDREH-HZSPNIEDSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000303688496 323160146 /nfs/dbraw/zinc/16/01/46/323160146.db2.gz LEJUMLUDTIDREH-MCIONIFRSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000303688497 323160103 /nfs/dbraw/zinc/16/01/03/323160103.db2.gz LEJUMLUDTIDREH-MGPQQGTHSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000303688498 323160193 /nfs/dbraw/zinc/16/01/93/323160193.db2.gz LEJUMLUDTIDREH-RDBSUJKOSA-N 1 0 209.377 3.686 20 0 BHADRO COc1cccc(C[NH2+]C2(C)CCC(C)CC2)c1 ZINC000303689465 388859150 /nfs/dbraw/zinc/85/91/50/388859150.db2.gz UZKFDRBIDIOINC-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000303690049 356661999 /nfs/dbraw/zinc/66/19/99/356661999.db2.gz MKDHGQJOLAPTAB-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO CCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000303690052 350125841 /nfs/dbraw/zinc/12/58/41/350125841.db2.gz MKDHGQJOLAPTAB-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO C[C@@H]1SCC[N@H+](C/C=C/c2ccccc2)[C@H]1C ZINC000303701640 323328708 /nfs/dbraw/zinc/32/87/08/323328708.db2.gz ODCYVCSUMKKUAC-HXUSNMGPSA-N 1 0 247.407 3.526 20 0 BHADRO C[C@@H]1[C@H](C)SCC[N@@H+]1C/C=C/c1ccccc1 ZINC000303701642 323328299 /nfs/dbraw/zinc/32/82/99/323328299.db2.gz ODCYVCSUMKKUAC-VVYAQTJFSA-N 1 0 247.407 3.526 20 0 BHADRO CCC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000303724382 323160268 /nfs/dbraw/zinc/16/02/68/323160268.db2.gz SJECGILBUBHFCJ-GXTWGEPZSA-N 1 0 235.396 3.575 20 0 BHADRO CCC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000303724385 323160197 /nfs/dbraw/zinc/16/01/97/323160197.db2.gz SJECGILBUBHFCJ-JSGCOSHPSA-N 1 0 235.396 3.575 20 0 BHADRO CCC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000303724388 323160117 /nfs/dbraw/zinc/16/01/17/323160117.db2.gz SJECGILBUBHFCJ-OCCSQVGLSA-N 1 0 235.396 3.575 20 0 BHADRO CCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000303724390 323160243 /nfs/dbraw/zinc/16/02/43/323160243.db2.gz SJECGILBUBHFCJ-TZMCWYRMSA-N 1 0 235.396 3.575 20 0 BHADRO Cc1cccc(C)c1C[NH+]1CCCCCC1 ZINC000303727332 534664740 /nfs/dbraw/zinc/66/47/40/534664740.db2.gz COEGWCXHMUOFPF-UHFFFAOYSA-N 1 0 217.356 3.679 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1F ZINC000303727893 323160209 /nfs/dbraw/zinc/16/02/09/323160209.db2.gz UHPAZEIJPVQMBN-DVOMOZLQSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1F ZINC000303727894 323160182 /nfs/dbraw/zinc/16/01/82/323160182.db2.gz UHPAZEIJPVQMBN-IOASZLSFSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1F ZINC000303727896 323160141 /nfs/dbraw/zinc/16/01/41/323160141.db2.gz UHPAZEIJPVQMBN-WWGRRREGSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1F ZINC000303727898 323160101 /nfs/dbraw/zinc/16/01/01/323160101.db2.gz UHPAZEIJPVQMBN-XJKCOSOUSA-N 1 0 247.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000303730564 369433214 /nfs/dbraw/zinc/43/32/14/369433214.db2.gz ZBGISXSMXICECW-INIZCTEOSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000303730565 369433155 /nfs/dbraw/zinc/43/31/55/369433155.db2.gz ZBGISXSMXICECW-MRXNPFEDSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000303731088 369433092 /nfs/dbraw/zinc/43/30/92/369433092.db2.gz ZGDODWPSRNVDSX-HNNXBMFYSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000303731089 369433367 /nfs/dbraw/zinc/43/33/67/369433367.db2.gz ZGDODWPSRNVDSX-OAHLLOKOSA-N 1 0 235.346 3.836 20 0 BHADRO CCCC[N@H+](CC)Cc1c(C)cccc1C ZINC000303734261 259658988 /nfs/dbraw/zinc/65/89/88/259658988.db2.gz FXLPKTOCIBIXNF-UHFFFAOYSA-N 1 0 219.372 3.925 20 0 BHADRO Cc1ccc(CC[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000303744023 323160236 /nfs/dbraw/zinc/16/02/36/323160236.db2.gz FJUHUJBBOFKBKF-AWEZNQCLSA-N 1 0 243.394 3.800 20 0 BHADRO Cc1ccc(CC[N@@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000303744024 323160201 /nfs/dbraw/zinc/16/02/01/323160201.db2.gz FJUHUJBBOFKBKF-CQSZACIVSA-N 1 0 243.394 3.800 20 0 BHADRO Cc1ccc(C[C@H](C)[N@@H+](C)CCC(C)C)cc1 ZINC000303754731 369434431 /nfs/dbraw/zinc/43/44/31/369434431.db2.gz MSOIUBFWGXYDCV-HNNXBMFYSA-N 1 0 233.399 3.904 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(C)C)cc1 ZINC000303754733 369434537 /nfs/dbraw/zinc/43/45/37/369434537.db2.gz MSOIUBFWGXYDCV-OAHLLOKOSA-N 1 0 233.399 3.904 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC000303756505 323160241 /nfs/dbraw/zinc/16/02/41/323160241.db2.gz JPNOXWVFJUHVFE-DNGMOHDESA-N 1 0 249.423 3.773 20 0 BHADRO CSCC[C@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC000303756506 323160270 /nfs/dbraw/zinc/16/02/70/323160270.db2.gz JPNOXWVFJUHVFE-RNVIBTMRSA-N 1 0 249.423 3.773 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000303766134 644845112 /nfs/dbraw/zinc/84/51/12/644845112.db2.gz AXHOFMGFXYDZRQ-HNNXBMFYSA-N 1 0 241.419 3.848 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000303766137 644844924 /nfs/dbraw/zinc/84/49/24/644844924.db2.gz AXHOFMGFXYDZRQ-OAHLLOKOSA-N 1 0 241.419 3.848 20 0 BHADRO CCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303767076 350126910 /nfs/dbraw/zinc/12/69/10/350126910.db2.gz PYJDVVTUPQLRJH-CYBMUJFWSA-N 1 0 221.344 3.915 20 0 BHADRO CCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000303767078 350126976 /nfs/dbraw/zinc/12/69/76/350126976.db2.gz PYJDVVTUPQLRJH-ZDUSSCGKSA-N 1 0 221.344 3.915 20 0 BHADRO CCCCCC[N@H+](C)CCc1ccccc1OC ZINC000303773863 644844290 /nfs/dbraw/zinc/84/42/90/644844290.db2.gz CAARJSOFJYKWTO-UHFFFAOYSA-N 1 0 249.398 3.750 20 0 BHADRO CCC[NH+](CCC)Cc1c(C)cccc1C ZINC000303782542 369435905 /nfs/dbraw/zinc/43/59/05/369435905.db2.gz STTGIEWYXLOCCO-UHFFFAOYSA-N 1 0 219.372 3.925 20 0 BHADRO Cc1ccc(C[C@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000303787391 369435860 /nfs/dbraw/zinc/43/58/60/369435860.db2.gz UJASECOQYFLCSU-AWEZNQCLSA-N 1 0 219.372 3.514 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000303787392 369436337 /nfs/dbraw/zinc/43/63/37/369436337.db2.gz UJASECOQYFLCSU-CQSZACIVSA-N 1 0 219.372 3.514 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C/C=C/Cl)cc1 ZINC000303806655 644849198 /nfs/dbraw/zinc/84/91/98/644849198.db2.gz MQLUWHYRMSRMPA-FAFAAHBOSA-N 1 0 237.774 3.610 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)C/C=C/Cl)cc1 ZINC000303806656 644849323 /nfs/dbraw/zinc/84/93/23/644849323.db2.gz MQLUWHYRMSRMPA-QGQQYVBWSA-N 1 0 237.774 3.610 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000303811554 529202519 /nfs/dbraw/zinc/20/25/19/529202519.db2.gz CRTMDTWILIUUAB-HNNXBMFYSA-N 1 0 246.398 3.517 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000303811556 529274035 /nfs/dbraw/zinc/27/40/35/529274035.db2.gz CRTMDTWILIUUAB-OAHLLOKOSA-N 1 0 246.398 3.517 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1c(C)cccc1C ZINC000303812016 369437642 /nfs/dbraw/zinc/43/76/42/369437642.db2.gz ZDWIDYCVEOHUMN-GFCCVEGCSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1c(C)cccc1C ZINC000303812017 369436868 /nfs/dbraw/zinc/43/68/68/369436868.db2.gz ZDWIDYCVEOHUMN-LBPRGKRZSA-N 1 0 219.372 3.781 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000303835640 323160497 /nfs/dbraw/zinc/16/04/97/323160497.db2.gz AQJJRTXNLQDWIZ-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccccc2)CC1 ZINC000303836295 369439179 /nfs/dbraw/zinc/43/91/79/369439179.db2.gz ASIHLNWUILKBMZ-UHFFFAOYSA-N 1 0 217.356 3.699 20 0 BHADRO CCSCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000303842420 387403128 /nfs/dbraw/zinc/40/31/28/387403128.db2.gz BUVXEMRWSSKOMH-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO CCSCC[N@H+](C)C1CCCCCCC1 ZINC000303845892 711772471 /nfs/dbraw/zinc/77/24/71/711772471.db2.gz CNDOIWMKZANABV-UHFFFAOYSA-N 1 0 229.433 3.784 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCc1cccc(OC)c1 ZINC000303845898 369439931 /nfs/dbraw/zinc/43/99/31/369439931.db2.gz CNKBRNDMRVRVRS-AWEZNQCLSA-N 1 0 249.398 3.606 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCc1cccc(OC)c1 ZINC000303845899 369439508 /nfs/dbraw/zinc/43/95/08/369439508.db2.gz CNKBRNDMRVRVRS-CQSZACIVSA-N 1 0 249.398 3.606 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCC1CCCC1 ZINC000303849734 369440016 /nfs/dbraw/zinc/44/00/16/369440016.db2.gz DIHXQILGPACMHG-GFCCVEGCSA-N 1 0 221.344 3.853 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCC1CCCC1 ZINC000303849735 369440165 /nfs/dbraw/zinc/44/01/65/369440165.db2.gz DIHXQILGPACMHG-LBPRGKRZSA-N 1 0 221.344 3.853 20 0 BHADRO COc1cccc(CCC[NH+]2CCCCCC2)c1 ZINC000303852657 369440378 /nfs/dbraw/zinc/44/03/78/369440378.db2.gz DXWLVHXYCKEZFG-UHFFFAOYSA-N 1 0 247.382 3.504 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000303859805 644851018 /nfs/dbraw/zinc/85/10/18/644851018.db2.gz PJOBOZLEGSKWFK-UHFFFAOYSA-N 1 0 230.355 3.570 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccccc2F)CC1 ZINC000303862476 369441264 /nfs/dbraw/zinc/44/12/64/369441264.db2.gz GTROAKSIUPFGPT-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CCCCCC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000303868732 644851173 /nfs/dbraw/zinc/85/11/73/644851173.db2.gz QGXUZYQUMDOPGF-GFCCVEGCSA-N 1 0 209.377 3.830 20 0 BHADRO CCCCCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000303868733 644850831 /nfs/dbraw/zinc/85/08/31/644850831.db2.gz QGXUZYQUMDOPGF-LBPRGKRZSA-N 1 0 209.377 3.830 20 0 BHADRO C[N@H+](CCC1CCCC1)Cc1ccc(F)cc1 ZINC000303877612 323160939 /nfs/dbraw/zinc/16/09/39/323160939.db2.gz IPPFYXJNSWEYNG-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO C(C[N@@H+]1CCC[C@H]1C1CCC1)C1CCCC1 ZINC000303884549 369441629 /nfs/dbraw/zinc/44/16/29/369441629.db2.gz JMCOEXIJPHPKTM-HNNXBMFYSA-N 1 0 221.388 3.831 20 0 BHADRO C(C[N@@H+]1CCC[C@@H]1C1CCC1)C1CCCC1 ZINC000303884552 369440979 /nfs/dbraw/zinc/44/09/79/369440979.db2.gz JMCOEXIJPHPKTM-OAHLLOKOSA-N 1 0 221.388 3.831 20 0 BHADRO CC1(C)CCC[N@H+](CCOc2ccccc2)CC1 ZINC000303885717 323161480 /nfs/dbraw/zinc/16/14/80/323161480.db2.gz JPTPFYPNGRCSLK-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO CCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000303917769 169179617 /nfs/dbraw/zinc/17/96/17/169179617.db2.gz OARCFRIYNDNHFU-UHFFFAOYSA-N 1 0 221.344 3.824 20 0 BHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000303918470 323161680 /nfs/dbraw/zinc/16/16/80/323161680.db2.gz OCDZKNFAGPWWMP-HNNXBMFYSA-N 1 0 217.356 3.932 20 0 BHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000303918472 323161718 /nfs/dbraw/zinc/16/17/18/323161718.db2.gz OCDZKNFAGPWWMP-OAHLLOKOSA-N 1 0 217.356 3.932 20 0 BHADRO C[N@H+](CCC1CCCC1)Cc1ccccc1 ZINC000303925161 323162000 /nfs/dbraw/zinc/16/20/00/323162000.db2.gz PMFKBQGDHGNGGJ-UHFFFAOYSA-N 1 0 217.356 3.699 20 0 BHADRO C[N@H+](CCC1CCCC1)C1CCCCC1 ZINC000303926654 369444452 /nfs/dbraw/zinc/44/44/52/369444452.db2.gz PURPFTJYGQUJKW-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCC1CCCC1)C1CC1 ZINC000303930302 369444643 /nfs/dbraw/zinc/44/46/43/369444643.db2.gz QKNGNEWLQFAKFC-GFCCVEGCSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCC1CCCC1)C1CC1 ZINC000303930306 369444836 /nfs/dbraw/zinc/44/48/36/369444836.db2.gz QKNGNEWLQFAKFC-LBPRGKRZSA-N 1 0 221.388 3.830 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303931842 387413155 /nfs/dbraw/zinc/41/31/55/387413155.db2.gz QSIUOTVEFPUQBM-AWEZNQCLSA-N 1 0 239.428 3.562 20 0 BHADRO CCSCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303931844 387412259 /nfs/dbraw/zinc/41/22/59/387412259.db2.gz QSIUOTVEFPUQBM-CQSZACIVSA-N 1 0 239.428 3.562 20 0 BHADRO CCC[N@H+](CCC1CCCC1)CC1CC1 ZINC000303935949 323161893 /nfs/dbraw/zinc/16/18/93/323161893.db2.gz ROCQBDKGCKRVCQ-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC[NH+](CC)CCCc1ccc(Cl)cc1 ZINC000303937799 369444401 /nfs/dbraw/zinc/44/44/01/369444401.db2.gz YCIRDXVNUKDFDR-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(C)C ZINC000303939187 369445095 /nfs/dbraw/zinc/44/50/95/369445095.db2.gz SHQIBRQJZKPFKB-INIZCTEOSA-N 1 0 233.399 3.986 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CCC(C)C ZINC000303939192 369445056 /nfs/dbraw/zinc/44/50/56/369445056.db2.gz SHQIBRQJZKPFKB-MRXNPFEDSA-N 1 0 233.399 3.986 20 0 BHADRO CCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303939254 369445109 /nfs/dbraw/zinc/44/51/09/369445109.db2.gz YNAMEPUKBIOPTR-LLVKDONJSA-N 1 0 225.763 3.613 20 0 BHADRO CCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303939938 352711599 /nfs/dbraw/zinc/71/15/99/352711599.db2.gz YNAMEPUKBIOPTR-NSHDSACASA-N 1 0 225.763 3.613 20 0 BHADRO CN(C)c1ccccc1C[NH+]1CCCCCCC1 ZINC000303940605 644859612 /nfs/dbraw/zinc/85/96/12/644859612.db2.gz XGRXNXIAOWGRGG-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO CCCCC[N@H+](CCSCC)C(C)C ZINC000303942980 323162097 /nfs/dbraw/zinc/16/20/97/323162097.db2.gz TXGLMHRPOGTEOZ-UHFFFAOYSA-N 1 0 217.422 3.640 20 0 BHADRO CC(C)CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000303947916 388637884 /nfs/dbraw/zinc/63/78/84/388637884.db2.gz UXUZXUZXMZJRRN-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303947982 323162342 /nfs/dbraw/zinc/16/23/42/323162342.db2.gz UYPNNIMXKDKOQZ-HNNXBMFYSA-N 1 0 217.356 3.850 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303947985 323162277 /nfs/dbraw/zinc/16/22/77/323162277.db2.gz UYPNNIMXKDKOQZ-OAHLLOKOSA-N 1 0 217.356 3.850 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)CCSC ZINC000303948391 644859549 /nfs/dbraw/zinc/85/95/49/644859549.db2.gz ZORXNZMOCOSSOD-GFCCVEGCSA-N 1 0 217.422 3.640 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)CCSC ZINC000303948392 644859803 /nfs/dbraw/zinc/85/98/03/644859803.db2.gz ZORXNZMOCOSSOD-LBPRGKRZSA-N 1 0 217.422 3.640 20 0 BHADRO C[N@H+](CCC1CCCC1)Cc1ccccc1F ZINC000303948507 411312964 /nfs/dbraw/zinc/31/29/64/411312964.db2.gz VBHCBWPBLPWZRS-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO COc1cccc(CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303954106 323162038 /nfs/dbraw/zinc/16/20/38/323162038.db2.gz WOZUJGNAYHLWGC-AWEZNQCLSA-N 1 0 247.382 3.502 20 0 BHADRO COc1cccc(CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303954109 323161989 /nfs/dbraw/zinc/16/19/89/323161989.db2.gz WOZUJGNAYHLWGC-CQSZACIVSA-N 1 0 247.382 3.502 20 0 BHADRO COc1ccc(C[N@H+](C)CCC2CCCC2)cc1 ZINC000303957048 323162034 /nfs/dbraw/zinc/16/20/34/323162034.db2.gz XTKYXKZXGJSXQY-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCC[NH+](CCC)CCCc1cccc(OC)c1 ZINC000303959280 369446610 /nfs/dbraw/zinc/44/66/10/369446610.db2.gz YSLJBWIMCLQUGA-UHFFFAOYSA-N 1 0 249.398 3.750 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)CCC1CCCC1 ZINC000303959912 323162487 /nfs/dbraw/zinc/16/24/87/323162487.db2.gz YZMDNZWMVJCMCA-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CSCC[C@H](C)[N@H+](C)CCC1CCCC1 ZINC000303959914 323162409 /nfs/dbraw/zinc/16/24/09/323162409.db2.gz YZMDNZWMVJCMCA-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[NH+](CCCC)CCSCC ZINC000303960300 369446706 /nfs/dbraw/zinc/44/67/06/369446706.db2.gz ZELFYSRGMBDUEA-UHFFFAOYSA-N 1 0 217.422 3.642 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)CC(F)(F)F)C(C)C ZINC000303965513 527588396 /nfs/dbraw/zinc/58/83/96/527588396.db2.gz UPPJFNJFKHJXAK-JTQLQIEISA-N 1 0 239.325 3.845 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)CC(F)(F)F)C(C)C ZINC000303965516 527588389 /nfs/dbraw/zinc/58/83/89/527588389.db2.gz UPPJFNJFKHJXAK-SNVBAGLBSA-N 1 0 239.325 3.845 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCCC[C@H]2C)CCC1 ZINC000303994458 229338951 /nfs/dbraw/zinc/33/89/51/229338951.db2.gz BPASVLMQQMHGCU-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCCC[C@H]2C)CCC1 ZINC000303994461 229339241 /nfs/dbraw/zinc/33/92/41/229339241.db2.gz BPASVLMQQMHGCU-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCCC[C@@H]2C)CCC1 ZINC000303994463 229338759 /nfs/dbraw/zinc/33/87/59/229338759.db2.gz BPASVLMQQMHGCU-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCCC[C@@H]2C)CCC1 ZINC000303994465 229339284 /nfs/dbraw/zinc/33/92/84/229339284.db2.gz BPASVLMQQMHGCU-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)C1CCCCC1 ZINC000304009413 529158476 /nfs/dbraw/zinc/15/84/76/529158476.db2.gz YQRUNTKRORCDKS-CYBMUJFWSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)C1CCCCC1 ZINC000304009414 256624069 /nfs/dbraw/zinc/62/40/69/256624069.db2.gz YQRUNTKRORCDKS-ZDUSSCGKSA-N 1 0 241.444 3.831 20 0 BHADRO FCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000304124670 229341482 /nfs/dbraw/zinc/34/14/82/229341482.db2.gz GLMKWTACIBHBFQ-KBPBESRZSA-N 1 0 227.367 3.685 20 0 BHADRO FCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000304124674 229342038 /nfs/dbraw/zinc/34/20/38/229342038.db2.gz GLMKWTACIBHBFQ-KGLIPLIRSA-N 1 0 227.367 3.685 20 0 BHADRO FCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000304124675 229342311 /nfs/dbraw/zinc/34/23/11/229342311.db2.gz GLMKWTACIBHBFQ-UONOGXRCSA-N 1 0 227.367 3.685 20 0 BHADRO FCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000304124677 229342197 /nfs/dbraw/zinc/34/21/97/229342197.db2.gz GLMKWTACIBHBFQ-ZIAGYGMSSA-N 1 0 227.367 3.685 20 0 BHADRO CCCCc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC000304132718 529027494 /nfs/dbraw/zinc/02/74/94/529027494.db2.gz ZSWYHIUAUJLVAB-GFCCVEGCSA-N 1 0 223.335 3.649 20 0 BHADRO CCCCc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC000304132721 529028025 /nfs/dbraw/zinc/02/80/25/529028025.db2.gz ZSWYHIUAUJLVAB-LBPRGKRZSA-N 1 0 223.335 3.649 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304234173 350778603 /nfs/dbraw/zinc/77/86/03/350778603.db2.gz BODVOYCPQOKCEH-FRRDWIJNSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304234174 350778470 /nfs/dbraw/zinc/77/84/70/350778470.db2.gz BODVOYCPQOKCEH-JHJVBQTASA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304234175 350778622 /nfs/dbraw/zinc/77/86/22/350778622.db2.gz BODVOYCPQOKCEH-RWMBFGLXSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304234176 350778375 /nfs/dbraw/zinc/77/83/75/350778375.db2.gz BODVOYCPQOKCEH-YNEHKIRRSA-N 1 0 243.460 3.932 20 0 BHADRO CCC1(C[NH2+]CC2(SC)CCC2)CCCC1 ZINC000304234651 168477847 /nfs/dbraw/zinc/47/78/47/168477847.db2.gz BRJBMKYSRGDVGX-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000304241610 528320106 /nfs/dbraw/zinc/32/01/06/528320106.db2.gz DJHIUPWMRXDMFX-CYBMUJFWSA-N 1 0 237.412 3.521 20 0 BHADRO CC(C)SCC[NH2+]C[C@H](C)c1ccccc1 ZINC000304241611 528320007 /nfs/dbraw/zinc/32/00/07/528320007.db2.gz DJHIUPWMRXDMFX-ZDUSSCGKSA-N 1 0 237.412 3.521 20 0 BHADRO CCC1CCC(C[NH2+]CC2(SC)CC2)CC1 ZINC000304245055 386967338 /nfs/dbraw/zinc/96/73/38/386967338.db2.gz FJLJIWPXFWYRIY-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000304246869 167332065 /nfs/dbraw/zinc/33/20/65/167332065.db2.gz FYGUXWRSAYADNM-LLVKDONJSA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000304246870 167332381 /nfs/dbraw/zinc/33/23/81/167332381.db2.gz FYGUXWRSAYADNM-NSHDSACASA-N 1 0 241.375 3.618 20 0 BHADRO FCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000304249594 350150378 /nfs/dbraw/zinc/15/03/78/350150378.db2.gz QOHZMZDEEZOVHV-UHFFFAOYSA-N 1 0 241.737 3.535 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000304259316 534189218 /nfs/dbraw/zinc/18/92/18/534189218.db2.gz AJXYDIOHFRXTEH-BXUZGUMPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000304259317 533764839 /nfs/dbraw/zinc/76/48/39/533764839.db2.gz AJXYDIOHFRXTEH-FZMZJTMJSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000304259318 229346360 /nfs/dbraw/zinc/34/63/60/229346360.db2.gz AJXYDIOHFRXTEH-RISCZKNCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000304259319 533713952 /nfs/dbraw/zinc/71/39/52/533713952.db2.gz AJXYDIOHFRXTEH-SMDDNHRTSA-N 1 0 221.388 3.733 20 0 BHADRO C(C[NH2+]C(C1CCC1)C1CCC1)CC1CC1 ZINC000304260477 350152026 /nfs/dbraw/zinc/15/20/26/350152026.db2.gz ATDZDJZAVXGYNL-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304265512 487484092 /nfs/dbraw/zinc/48/40/92/487484092.db2.gz JURIXEPXVZLFCB-GHMZBOCLSA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304265514 487484936 /nfs/dbraw/zinc/48/49/36/487484936.db2.gz JURIXEPXVZLFCB-MNOVXSKESA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1nccs1 ZINC000304265516 487484452 /nfs/dbraw/zinc/48/44/52/487484452.db2.gz JURIXEPXVZLFCB-QWRGUYRKSA-N 1 0 240.416 3.866 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1nccs1 ZINC000304265518 487484793 /nfs/dbraw/zinc/48/47/93/487484793.db2.gz JURIXEPXVZLFCB-WDEREUQCSA-N 1 0 240.416 3.866 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCSC(C)C ZINC000304267124 229346106 /nfs/dbraw/zinc/34/61/06/229346106.db2.gz KAJYSUVJJKVBET-CYBMUJFWSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCSC(C)C ZINC000304267129 229347203 /nfs/dbraw/zinc/34/72/03/229347203.db2.gz KAJYSUVJJKVBET-ZDUSSCGKSA-N 1 0 237.412 3.787 20 0 BHADRO C(CC1CCC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000304275127 644884307 /nfs/dbraw/zinc/88/43/07/644884307.db2.gz DFGJZURWZPYNDI-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000304275768 527850704 /nfs/dbraw/zinc/85/07/04/527850704.db2.gz DIIXJJFHBJKLBU-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000304275771 527848461 /nfs/dbraw/zinc/84/84/61/527848461.db2.gz DIIXJJFHBJKLBU-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000304275773 527812753 /nfs/dbraw/zinc/81/27/53/527812753.db2.gz DIIXJJFHBJKLBU-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000304275775 527810381 /nfs/dbraw/zinc/81/03/81/527810381.db2.gz DIIXJJFHBJKLBU-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)c1nccs1)C(C)(C)C ZINC000304275822 644884700 /nfs/dbraw/zinc/88/47/00/644884700.db2.gz LJKXZSAXOPIEKX-JTQLQIEISA-N 1 0 240.416 3.650 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)c1nccs1)C(C)(C)C ZINC000304275826 644884389 /nfs/dbraw/zinc/88/43/89/644884389.db2.gz LJKXZSAXOPIEKX-SNVBAGLBSA-N 1 0 240.416 3.650 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000304278064 527808683 /nfs/dbraw/zinc/80/86/83/527808683.db2.gz DUBIHIYNQGCKRW-LLVKDONJSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000304278066 527847803 /nfs/dbraw/zinc/84/78/03/527847803.db2.gz DUBIHIYNQGCKRW-NSHDSACASA-N 1 0 237.309 3.743 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCSC(C)C)cc1 ZINC000304278274 229346885 /nfs/dbraw/zinc/34/68/85/229346885.db2.gz LTPXXFXKRBZABM-CYBMUJFWSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCSC(C)C)cc1 ZINC000304278277 229346350 /nfs/dbraw/zinc/34/63/50/229346350.db2.gz LTPXXFXKRBZABM-ZDUSSCGKSA-N 1 0 237.412 3.787 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)c1ccccc1F ZINC000304278378 167331782 /nfs/dbraw/zinc/33/17/82/167331782.db2.gz LUUKMACSVUUVFE-LLVKDONJSA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)c1ccccc1F ZINC000304278382 167332470 /nfs/dbraw/zinc/33/24/70/167332470.db2.gz LUUKMACSVUUVFE-NSHDSACASA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000304279243 167332895 /nfs/dbraw/zinc/33/28/95/167332895.db2.gz LXJREYYSRLERNV-LLVKDONJSA-N 1 0 241.375 3.618 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000304279244 167332391 /nfs/dbraw/zinc/33/23/91/167332391.db2.gz LXJREYYSRLERNV-NSHDSACASA-N 1 0 241.375 3.618 20 0 BHADRO CCSCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000304280372 170628154 /nfs/dbraw/zinc/62/81/54/170628154.db2.gz FFDJQPCDDKZUIS-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304281090 529532216 /nfs/dbraw/zinc/53/22/16/529532216.db2.gz FGZSVNQHPCGKJI-KBPBESRZSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304281091 529415670 /nfs/dbraw/zinc/41/56/70/529415670.db2.gz FGZSVNQHPCGKJI-KGLIPLIRSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304281092 529532204 /nfs/dbraw/zinc/53/22/04/529532204.db2.gz FGZSVNQHPCGKJI-UONOGXRCSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304281093 529415393 /nfs/dbraw/zinc/41/53/93/529415393.db2.gz FGZSVNQHPCGKJI-ZIAGYGMSSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@H](C[NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000304281562 487485601 /nfs/dbraw/zinc/48/56/01/487485601.db2.gz FJZDQNJJZCGGEZ-LLVKDONJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000304281564 487485947 /nfs/dbraw/zinc/48/59/47/487485947.db2.gz FJZDQNJJZCGGEZ-NSHDSACASA-N 1 0 221.388 3.591 20 0 BHADRO CCC1(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000304281616 387457201 /nfs/dbraw/zinc/45/72/01/387457201.db2.gz FKUKUCLZRRLJEI-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000304283812 357161393 /nfs/dbraw/zinc/16/13/93/357161393.db2.gz FSWDGICQLLBOEW-AWEZNQCLSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000304283813 387458312 /nfs/dbraw/zinc/45/83/12/387458312.db2.gz FSWDGICQLLBOEW-CQSZACIVSA-N 1 0 221.344 3.584 20 0 BHADRO c1csc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000304290397 387459328 /nfs/dbraw/zinc/45/93/28/387459328.db2.gz GWLJQKKDXKWSRR-UHFFFAOYSA-N 1 0 235.396 3.807 20 0 BHADRO CSC(C)(C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000304291654 635938401 /nfs/dbraw/zinc/93/84/01/635938401.db2.gz HCCSSZCBQXKJOF-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C[NH2+]C(C2CCC2)C2CCC2)CCC1 ZINC000304293152 168040142 /nfs/dbraw/zinc/04/01/42/168040142.db2.gz HLQQDDPJKQPOKB-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304294098 487486120 /nfs/dbraw/zinc/48/61/20/487486120.db2.gz OBPCPPDCCOPREH-GHMZBOCLSA-N 1 0 240.416 3.518 20 0 BHADRO C[C@H](C[NH2+]C[C@H](C)C(C)(C)C)c1nccs1 ZINC000304294100 487485998 /nfs/dbraw/zinc/48/59/98/487485998.db2.gz OBPCPPDCCOPREH-MNOVXSKESA-N 1 0 240.416 3.518 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)c1nccs1)C(C)(C)C ZINC000304294103 487485648 /nfs/dbraw/zinc/48/56/48/487485648.db2.gz OBPCPPDCCOPREH-QWRGUYRKSA-N 1 0 240.416 3.518 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304294106 487485629 /nfs/dbraw/zinc/48/56/29/487485629.db2.gz OBPCPPDCCOPREH-WDEREUQCSA-N 1 0 240.416 3.518 20 0 BHADRO CSC1(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000304304380 387462171 /nfs/dbraw/zinc/46/21/71/387462171.db2.gz PLQZIYZSXHCQQT-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000304304382 175450396 /nfs/dbraw/zinc/45/03/96/175450396.db2.gz PLQZIYZSXHCQQT-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000304304384 398316789 /nfs/dbraw/zinc/31/67/89/398316789.db2.gz PLQZIYZSXHCQQT-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000304304386 386974193 /nfs/dbraw/zinc/97/41/93/386974193.db2.gz PLQZIYZSXHCQQT-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCCF)c(C)o1 ZINC000304307479 178224844 /nfs/dbraw/zinc/22/48/44/178224844.db2.gz AOBCLJJTWJSEAM-LLVKDONJSA-N 1 0 227.323 3.687 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCCCF)c(C)o1 ZINC000304307504 178247547 /nfs/dbraw/zinc/24/75/47/178247547.db2.gz AOBCLJJTWJSEAM-NSHDSACASA-N 1 0 227.323 3.687 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CCSCC1)C1CC1 ZINC000304317516 527845517 /nfs/dbraw/zinc/84/55/17/527845517.db2.gz LMVNJGQUPMOMSC-AWEZNQCLSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CCSCC1)C1CC1 ZINC000304317519 527809059 /nfs/dbraw/zinc/80/90/59/527809059.db2.gz LMVNJGQUPMOMSC-CQSZACIVSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)n1 ZINC000304325831 487845171 /nfs/dbraw/zinc/84/51/71/487845171.db2.gz SXMRVFNHRDXEOY-GXSJLCMTSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)n1 ZINC000304325833 487589149 /nfs/dbraw/zinc/58/91/49/487589149.db2.gz SXMRVFNHRDXEOY-KOLCDFICSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)n1 ZINC000304325834 487589066 /nfs/dbraw/zinc/58/90/66/487589066.db2.gz SXMRVFNHRDXEOY-MWLCHTKSSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)n1 ZINC000304325836 487589125 /nfs/dbraw/zinc/58/91/25/487589125.db2.gz SXMRVFNHRDXEOY-ONGXEEELSA-N 1 0 240.416 3.784 20 0 BHADRO CC(C)OCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000304327676 527949338 /nfs/dbraw/zinc/94/93/38/527949338.db2.gz CZNDTEDJURVZHB-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)OCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000304327679 527948810 /nfs/dbraw/zinc/94/88/10/527948810.db2.gz CZNDTEDJURVZHB-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000304330730 229347700 /nfs/dbraw/zinc/34/77/00/229347700.db2.gz AJWVDXBTKIOJDG-AAVRWANBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000304330733 534068121 /nfs/dbraw/zinc/06/81/21/534068121.db2.gz AJWVDXBTKIOJDG-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000304330736 229348188 /nfs/dbraw/zinc/34/81/88/229348188.db2.gz AJWVDXBTKIOJDG-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CSC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000304330739 229348515 /nfs/dbraw/zinc/34/85/15/229348515.db2.gz AJWVDXBTKIOJDG-XJFOESAGSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C1CCCCC1 ZINC000304331669 529661767 /nfs/dbraw/zinc/66/17/67/529661767.db2.gz AKTDGAXRBVXKII-FPMFFAJLSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C1CCCCC1 ZINC000304331673 529662647 /nfs/dbraw/zinc/66/26/47/529662647.db2.gz AKTDGAXRBVXKII-KWCYVHTRSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C1CCCCC1 ZINC000304331677 529673393 /nfs/dbraw/zinc/67/33/93/529673393.db2.gz AKTDGAXRBVXKII-UBHSHLNASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)C1CCCCC1 ZINC000304331681 529673450 /nfs/dbraw/zinc/67/34/50/529673450.db2.gz AKTDGAXRBVXKII-XBFCOCLRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCSC1)C1CCCCC1 ZINC000304338626 229347528 /nfs/dbraw/zinc/34/75/28/229347528.db2.gz BEDAGKXKKNBIGD-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CCCCC1 ZINC000304338628 533421210 /nfs/dbraw/zinc/42/12/10/533421210.db2.gz BEDAGKXKKNBIGD-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCSC1)C1CCCCC1 ZINC000304338631 229347692 /nfs/dbraw/zinc/34/76/92/229347692.db2.gz BEDAGKXKKNBIGD-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCSC1)C1CCCCC1 ZINC000304338634 533882284 /nfs/dbraw/zinc/88/22/84/533882284.db2.gz BEDAGKXKKNBIGD-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO C(CC1CCCCC1)[NH2+]C[C@@H]1CCCSC1 ZINC000304343643 527476150 /nfs/dbraw/zinc/47/61/50/527476150.db2.gz BSAVXZIFHZDMQM-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C(CC1CCCCC1)[NH2+]C[C@H]1CCCSC1 ZINC000304343648 527476491 /nfs/dbraw/zinc/47/64/91/527476491.db2.gz BSAVXZIFHZDMQM-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO CSC1(C[NH2+]CC2(C)CCCCC2)CCC1 ZINC000304346443 533510214 /nfs/dbraw/zinc/51/02/14/533510214.db2.gz WJTLAFSRGXHXKF-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CC1(C)CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000304349184 387468394 /nfs/dbraw/zinc/46/83/94/387468394.db2.gz CHEOXQGITVCPGR-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000304349188 387469434 /nfs/dbraw/zinc/46/94/34/387469434.db2.gz CHEOXQGITVCPGR-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]CCSC(C)C)c1ccccc1 ZINC000304349875 387468992 /nfs/dbraw/zinc/46/89/92/387468992.db2.gz WXQABVXGOKKPQG-AWEZNQCLSA-N 1 0 237.412 3.869 20 0 BHADRO CC[C@@H]([NH2+]CCSC(C)C)c1ccccc1 ZINC000304349876 170896753 /nfs/dbraw/zinc/89/67/53/170896753.db2.gz WXQABVXGOKKPQG-CQSZACIVSA-N 1 0 237.412 3.869 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304352139 350154984 /nfs/dbraw/zinc/15/49/84/350154984.db2.gz COLACKZRCZDIFB-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304352140 350154979 /nfs/dbraw/zinc/15/49/79/350154979.db2.gz COLACKZRCZDIFB-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304352141 350155013 /nfs/dbraw/zinc/15/50/13/350155013.db2.gz COLACKZRCZDIFB-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304352142 350155100 /nfs/dbraw/zinc/15/51/00/350155100.db2.gz COLACKZRCZDIFB-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H]1C ZINC000304353349 533878035 /nfs/dbraw/zinc/87/80/35/533878035.db2.gz CTEHDVLZLMWRHH-MQYQWHSLSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H]1C ZINC000304353351 533877858 /nfs/dbraw/zinc/87/78/58/533877858.db2.gz CTEHDVLZLMWRHH-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCSC2)[C@H]1C ZINC000304353353 533878705 /nfs/dbraw/zinc/87/87/05/533878705.db2.gz CTEHDVLZLMWRHH-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H]1C ZINC000304353354 533877910 /nfs/dbraw/zinc/87/79/10/533877910.db2.gz CTEHDVLZLMWRHH-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO CSC1(C[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000304353908 229349503 /nfs/dbraw/zinc/34/95/03/229349503.db2.gz XNFYOKXZOCDAMA-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000304353912 533511506 /nfs/dbraw/zinc/51/15/06/533511506.db2.gz XNFYOKXZOCDAMA-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCc1ccco1 ZINC000304354948 533810495 /nfs/dbraw/zinc/81/04/95/533810495.db2.gz HEVHSQAEDFQLOF-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCc1ccco1 ZINC000304354950 533519691 /nfs/dbraw/zinc/51/96/91/533519691.db2.gz HEVHSQAEDFQLOF-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000304357217 487488548 /nfs/dbraw/zinc/48/85/48/487488548.db2.gz YBJIBOINYZGBTN-GXSJLCMTSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000304357220 487488255 /nfs/dbraw/zinc/48/82/55/487488255.db2.gz YBJIBOINYZGBTN-KOLCDFICSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000304357223 487488367 /nfs/dbraw/zinc/48/83/67/487488367.db2.gz YBJIBOINYZGBTN-MWLCHTKSSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000304357226 487488647 /nfs/dbraw/zinc/48/86/47/487488647.db2.gz YBJIBOINYZGBTN-ONGXEEELSA-N 1 0 240.416 3.784 20 0 BHADRO CSC1(C[NH2+]CCC2=CCCCC2)CCC1 ZINC000304358130 175450570 /nfs/dbraw/zinc/45/05/70/175450570.db2.gz YFHPPQCKSUUWQV-UHFFFAOYSA-N 1 0 239.428 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCSC(C)C)c(C)o1 ZINC000304364884 178224149 /nfs/dbraw/zinc/22/41/49/178224149.db2.gz ZEWJDCHRIHRSQT-LLVKDONJSA-N 1 0 241.400 3.689 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCSC(C)C)c(C)o1 ZINC000304364885 178248155 /nfs/dbraw/zinc/24/81/55/178248155.db2.gz ZEWJDCHRIHRSQT-NSHDSACASA-N 1 0 241.400 3.689 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304365240 644899236 /nfs/dbraw/zinc/89/92/36/644899236.db2.gz TVARGSWXFOSHTM-CYBMUJFWSA-N 1 0 243.460 3.932 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304365245 644898183 /nfs/dbraw/zinc/89/81/83/644898183.db2.gz TVARGSWXFOSHTM-ZDUSSCGKSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)C(C[NH2+]CC1CCSCC1)C(C)C ZINC000304366397 527585885 /nfs/dbraw/zinc/58/58/85/527585885.db2.gz IRKNFESDOBNKBF-UHFFFAOYSA-N 1 0 243.460 3.647 20 0 BHADRO CSCCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304366730 384000223 /nfs/dbraw/zinc/00/02/23/384000223.db2.gz UAUODZMHCOSIIQ-AWEZNQCLSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304366731 322811614 /nfs/dbraw/zinc/81/16/14/322811614.db2.gz UAUODZMHCOSIIQ-CQSZACIVSA-N 1 0 243.460 3.934 20 0 BHADRO CSC1(C[NH2+]CCCC2CCCC2)CCC1 ZINC000304366773 384742668 /nfs/dbraw/zinc/74/26/68/384742668.db2.gz ZMSUDNQSSRILRJ-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@H]1CC([NH2+]C[C@H]2CCCSC2)C[C@H](C)C1 ZINC000304367048 229348739 /nfs/dbraw/zinc/34/87/39/229348739.db2.gz FLEDPZKHHGYOJB-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C[C@@H](C)C1 ZINC000304367049 229349003 /nfs/dbraw/zinc/34/90/03/229349003.db2.gz FLEDPZKHHGYOJB-RFQIPJPRSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C[C@@H](C)C1 ZINC000304367050 229349908 /nfs/dbraw/zinc/34/99/08/229349908.db2.gz FLEDPZKHHGYOJB-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CC([NH2+]C[C@@H]2CCCSC2)C[C@H](C)C1 ZINC000304367051 229349210 /nfs/dbraw/zinc/34/92/10/229349210.db2.gz FLEDPZKHHGYOJB-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCSC(C)C)c1 ZINC000304367810 229349348 /nfs/dbraw/zinc/34/93/48/229349348.db2.gz ZRSJRYQAHLLNQW-CYBMUJFWSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCSC(C)C)c1 ZINC000304367813 229348987 /nfs/dbraw/zinc/34/89/87/229348987.db2.gz ZRSJRYQAHLLNQW-ZDUSSCGKSA-N 1 0 237.412 3.787 20 0 BHADRO CSCCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000304367947 386980090 /nfs/dbraw/zinc/98/00/90/386980090.db2.gz UEXDBZGPVPZLOD-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO C1CC(C([NH2+]C2CCCCC2)C2CCC2)C1 ZINC000304367986 526419181 /nfs/dbraw/zinc/41/91/81/526419181.db2.gz UGJZJTDXIKMLFF-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)SCC[NH2+]C(C)(C)c1ccccc1 ZINC000304368794 528319043 /nfs/dbraw/zinc/31/90/43/528319043.db2.gz ZWDDYVIHMCCFHM-UHFFFAOYSA-N 1 0 237.412 3.653 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1ccco1)C1CC1 ZINC000304370376 527849072 /nfs/dbraw/zinc/84/90/72/527849072.db2.gz UQVHRPMOAOCUHV-AWEZNQCLSA-N 1 0 221.344 3.584 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1ccco1)C1CC1 ZINC000304370378 527810571 /nfs/dbraw/zinc/81/05/71/527810571.db2.gz UQVHRPMOAOCUHV-CQSZACIVSA-N 1 0 221.344 3.584 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1CCSCC1 ZINC000304370599 383999367 /nfs/dbraw/zinc/99/93/67/383999367.db2.gz JEAYMIPAANGSOQ-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1CCSCC1 ZINC000304370601 322811590 /nfs/dbraw/zinc/81/15/90/322811590.db2.gz JEAYMIPAANGSOQ-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000304371185 528960561 /nfs/dbraw/zinc/96/05/61/528960561.db2.gz FWXSAQOYGWTKBP-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000304371186 528985303 /nfs/dbraw/zinc/98/53/03/528985303.db2.gz FWXSAQOYGWTKBP-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000304371187 528960167 /nfs/dbraw/zinc/96/01/67/528960167.db2.gz FWXSAQOYGWTKBP-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000304371188 528985512 /nfs/dbraw/zinc/98/55/12/528985512.db2.gz FWXSAQOYGWTKBP-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCF)cc1 ZINC000304373308 229349471 /nfs/dbraw/zinc/34/94/71/229349471.db2.gz JNEMXKNTZOOJGK-CYBMUJFWSA-N 1 0 223.335 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCCF)cc1 ZINC000304373309 229349795 /nfs/dbraw/zinc/34/97/95/229349795.db2.gz JNEMXKNTZOOJGK-ZDUSSCGKSA-N 1 0 223.335 3.785 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCCCF)c1 ZINC000304373311 229349531 /nfs/dbraw/zinc/34/95/31/229349531.db2.gz JNEXRALZKUCURB-ZDUSSCGKSA-N 1 0 223.335 3.785 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCSC2)C1 ZINC000304375699 176138296 /nfs/dbraw/zinc/13/82/96/176138296.db2.gz GMFKXENOCSGLDH-HZSPNIEDSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCSC2)C1 ZINC000304375701 176118633 /nfs/dbraw/zinc/11/86/33/176118633.db2.gz GMFKXENOCSGLDH-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCSC2)C1 ZINC000304375703 176118986 /nfs/dbraw/zinc/11/89/86/176118986.db2.gz GMFKXENOCSGLDH-MGPQQGTHSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCSC2)C1 ZINC000304375705 176138805 /nfs/dbraw/zinc/13/88/05/176138805.db2.gz GMFKXENOCSGLDH-RDBSUJKOSA-N 1 0 241.444 3.546 20 0 BHADRO c1cc(C[NH2+]C(C2CCC2)C2CCC2)cs1 ZINC000304382045 183347952 /nfs/dbraw/zinc/34/79/52/183347952.db2.gz WSWBYQJOBARVIW-UHFFFAOYSA-N 1 0 235.396 3.807 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000304382047 527848465 /nfs/dbraw/zinc/84/84/65/527848465.db2.gz WSWPHVTUTGQXOJ-CABCVRRESA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC=CCC1)C1CC1 ZINC000304382048 527850742 /nfs/dbraw/zinc/85/07/42/527850742.db2.gz WSWPHVTUTGQXOJ-GJZGRUSLSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000304382049 527810480 /nfs/dbraw/zinc/81/04/80/527810480.db2.gz WSWPHVTUTGQXOJ-HUUCEWRRSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CC=CCC1)C1CC1 ZINC000304382050 527811667 /nfs/dbraw/zinc/81/16/67/527811667.db2.gz WSWPHVTUTGQXOJ-LSDHHAIUSA-N 1 0 221.388 3.900 20 0 BHADRO C1=CC[C@H]([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000304382159 526417329 /nfs/dbraw/zinc/41/73/29/526417329.db2.gz WVDCFBZFBAMBHD-AWEZNQCLSA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000304382161 526418425 /nfs/dbraw/zinc/41/84/25/526418425.db2.gz WVDCFBZFBAMBHD-CQSZACIVSA-N 1 0 219.372 3.654 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304382178 644899116 /nfs/dbraw/zinc/89/91/16/644899116.db2.gz WVIPRQJZLGDHGX-GXTWGEPZSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304382180 644898258 /nfs/dbraw/zinc/89/82/58/644898258.db2.gz WVIPRQJZLGDHGX-JSGCOSHPSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304382182 644899003 /nfs/dbraw/zinc/89/90/03/644899003.db2.gz WVIPRQJZLGDHGX-OCCSQVGLSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304382627 644898020 /nfs/dbraw/zinc/89/80/20/644898020.db2.gz WVIPRQJZLGDHGX-TZMCWYRMSA-N 1 0 243.460 3.932 20 0 BHADRO CSC1(C[NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000304382631 229349841 /nfs/dbraw/zinc/34/98/41/229349841.db2.gz WVRSBSAWVJCKLV-CYBMUJFWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000304382632 533510648 /nfs/dbraw/zinc/51/06/48/533510648.db2.gz WVRSBSAWVJCKLV-ZDUSSCGKSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000304382719 527847740 /nfs/dbraw/zinc/84/77/40/527847740.db2.gz WXCUBXDRLXFPRM-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000304382721 527849162 /nfs/dbraw/zinc/84/91/62/527849162.db2.gz WXCUBXDRLXFPRM-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000304382724 527811197 /nfs/dbraw/zinc/81/11/97/527811197.db2.gz WXCUBXDRLXFPRM-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000304382725 527810629 /nfs/dbraw/zinc/81/06/29/527810629.db2.gz WXCUBXDRLXFPRM-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO C([NH2+]C(C1CCC1)C1CCC1)C1CCCC1 ZINC000304388176 527488692 /nfs/dbraw/zinc/48/86/92/527488692.db2.gz XYZGUFHTCIXPEM-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000304393273 527810588 /nfs/dbraw/zinc/81/05/88/527810588.db2.gz ZAPNCWZUXVLDRW-GXTWGEPZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000304393277 527847430 /nfs/dbraw/zinc/84/74/30/527847430.db2.gz ZAPNCWZUXVLDRW-JSGCOSHPSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000304393281 527849125 /nfs/dbraw/zinc/84/91/25/527849125.db2.gz ZAPNCWZUXVLDRW-OCCSQVGLSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000304393285 527810027 /nfs/dbraw/zinc/81/00/27/527810027.db2.gz ZAPNCWZUXVLDRW-TZMCWYRMSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304393351 533895129 /nfs/dbraw/zinc/89/51/29/533895129.db2.gz AJGWNAXCBSLNQM-BXUZGUMPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304393355 534179266 /nfs/dbraw/zinc/17/92/66/534179266.db2.gz AJGWNAXCBSLNQM-FZMZJTMJSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304393358 533792265 /nfs/dbraw/zinc/79/22/65/533792265.db2.gz AJGWNAXCBSLNQM-RISCZKNCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000304393361 229350626 /nfs/dbraw/zinc/35/06/26/229350626.db2.gz AJGWNAXCBSLNQM-SMDDNHRTSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C(C(C)C)C(C)C)n1 ZINC000304400757 371788165 /nfs/dbraw/zinc/78/81/65/371788165.db2.gz BHQFPDKIVYQNFK-LLVKDONJSA-N 1 0 240.416 3.783 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C(C(C)C)C(C)C)n1 ZINC000304400759 371787372 /nfs/dbraw/zinc/78/73/72/371787372.db2.gz BHQFPDKIVYQNFK-NSHDSACASA-N 1 0 240.416 3.783 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000304414580 528432817 /nfs/dbraw/zinc/43/28/17/528432817.db2.gz QBXRKRJVHUKBCT-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000304414581 528432315 /nfs/dbraw/zinc/43/23/15/528432315.db2.gz QBXRKRJVHUKBCT-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cnc(C[NH2+][C@@H](C)CCC(C)(C)C)s1 ZINC000304418309 387476306 /nfs/dbraw/zinc/47/63/06/387476306.db2.gz QQUYJSOGMINQCF-JTQLQIEISA-N 1 0 240.416 3.756 20 0 BHADRO Cc1cnc(C[NH2+][C@H](C)CCC(C)(C)C)s1 ZINC000304418312 387475324 /nfs/dbraw/zinc/47/53/24/387475324.db2.gz QQUYJSOGMINQCF-SNVBAGLBSA-N 1 0 240.416 3.756 20 0 BHADRO CCCCOCC[NH2+][C@H](C)CCC(C)(C)C ZINC000304419167 386984972 /nfs/dbraw/zinc/98/49/72/386984972.db2.gz QUMWVLAAHLKNRX-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000304419169 528609931 /nfs/dbraw/zinc/60/99/31/528609931.db2.gz QUMWVLAAHLKNRX-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO C([NH2+]C1CCCCCCC1)[C@H]1CCCSC1 ZINC000304422165 644905550 /nfs/dbraw/zinc/90/55/50/644905550.db2.gz JWJUIIOXKYLPTH-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO C([NH2+]C1CCCCCCC1)[C@@H]1CCCSC1 ZINC000304422166 644905166 /nfs/dbraw/zinc/90/51/66/644905166.db2.gz JWJUIIOXKYLPTH-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000304425073 325441380 /nfs/dbraw/zinc/44/13/80/325441380.db2.gz AIECELRMHYITNG-GHRCFYLDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@H](C)C1 ZINC000304425088 323169370 /nfs/dbraw/zinc/16/93/70/323169370.db2.gz AIECELRMHYITNG-JEWKUQAESA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@H](C)C1 ZINC000304425099 325441519 /nfs/dbraw/zinc/44/15/19/325441519.db2.gz AIECELRMHYITNG-JSLGZRHDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000304425127 388523585 /nfs/dbraw/zinc/52/35/85/388523585.db2.gz AIECELRMHYITNG-ULXLPNHUSA-N 1 0 221.388 3.589 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000304425823 644905227 /nfs/dbraw/zinc/90/52/27/644905227.db2.gz RRLLCIOYKXGUHV-CHWSQXEVSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000304425825 644902468 /nfs/dbraw/zinc/90/24/68/644902468.db2.gz RRLLCIOYKXGUHV-OLZOCXBDSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000304425827 644903728 /nfs/dbraw/zinc/90/37/28/644903728.db2.gz RRLLCIOYKXGUHV-QWHCGFSZSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000304425829 644903370 /nfs/dbraw/zinc/90/33/70/644903370.db2.gz RRLLCIOYKXGUHV-STQMWFEESA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)([NH2+]CCCCCF)c1ccccc1 ZINC000304443193 527292505 /nfs/dbraw/zinc/29/25/05/527292505.db2.gz VUZQPFZQZYQSKB-UHFFFAOYSA-N 1 0 223.335 3.651 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)c1ccccc1 ZINC000304454804 387482306 /nfs/dbraw/zinc/48/23/06/387482306.db2.gz YOWNSNKQZPCWTB-AWEZNQCLSA-N 1 0 223.335 3.867 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)c1ccccc1 ZINC000304454805 387482028 /nfs/dbraw/zinc/48/20/28/387482028.db2.gz YOWNSNKQZPCWTB-CQSZACIVSA-N 1 0 223.335 3.867 20 0 BHADRO COCCCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000304455312 533233871 /nfs/dbraw/zinc/23/38/71/533233871.db2.gz YTNNRFGPCQDWSG-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000304455313 533231927 /nfs/dbraw/zinc/23/19/27/533231927.db2.gz YTNNRFGPCQDWSG-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000304456339 528652993 /nfs/dbraw/zinc/65/29/93/528652993.db2.gz YZWIJBZCOFBGBU-KBPBESRZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000304456340 527762975 /nfs/dbraw/zinc/76/29/75/527762975.db2.gz YZWIJBZCOFBGBU-KGLIPLIRSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000304456341 528655001 /nfs/dbraw/zinc/65/50/01/528655001.db2.gz YZWIJBZCOFBGBU-UONOGXRCSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000304456342 527764958 /nfs/dbraw/zinc/76/49/58/527764958.db2.gz YZWIJBZCOFBGBU-ZIAGYGMSSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000304457735 533811897 /nfs/dbraw/zinc/81/18/97/533811897.db2.gz ZIGOBCBFGLGVPW-LLVKDONJSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000304457737 533519370 /nfs/dbraw/zinc/51/93/70/533519370.db2.gz ZIGOBCBFGLGVPW-NSHDSACASA-N 1 0 223.404 3.979 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC000304484992 526418376 /nfs/dbraw/zinc/41/83/76/526418376.db2.gz BIMLANSNOIYGET-QLFBSQMISA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000304485005 350160551 /nfs/dbraw/zinc/16/05/51/350160551.db2.gz BIMLANSNOIYGET-RRFJBIMHSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000304485021 350160282 /nfs/dbraw/zinc/16/02/82/350160282.db2.gz BIMLANSNOIYGET-ZNMIVQPWSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304492007 411368458 /nfs/dbraw/zinc/36/84/58/411368458.db2.gz MJZNAWPORZFIII-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304492009 411368445 /nfs/dbraw/zinc/36/84/45/411368445.db2.gz MJZNAWPORZFIII-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304492011 411368297 /nfs/dbraw/zinc/36/82/97/411368297.db2.gz MJZNAWPORZFIII-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304492014 411368566 /nfs/dbraw/zinc/36/85/66/411368566.db2.gz MJZNAWPORZFIII-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)C[C@H]1C ZINC000304494295 534256798 /nfs/dbraw/zinc/25/67/98/534256798.db2.gz MRBRKNJRBBOALC-MQYQWHSLSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)C[C@@H]1C ZINC000304494296 534256431 /nfs/dbraw/zinc/25/64/31/534256431.db2.gz MRBRKNJRBBOALC-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)C[C@@H]1C ZINC000304494298 534257305 /nfs/dbraw/zinc/25/73/05/534257305.db2.gz MRBRKNJRBBOALC-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)C[C@H]1C ZINC000304494300 534257268 /nfs/dbraw/zinc/25/72/68/534257268.db2.gz MRBRKNJRBBOALC-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304501797 487508763 /nfs/dbraw/zinc/50/87/63/487508763.db2.gz CPURNJFHMMVSCQ-FWJBWGTRSA-N 1 0 221.388 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304501811 487508651 /nfs/dbraw/zinc/50/86/51/487508651.db2.gz CPURNJFHMMVSCQ-OGONIBCJSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304506461 350161381 /nfs/dbraw/zinc/16/13/81/350161381.db2.gz DAQDQNFHEQSPHX-FQKPHLNHSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304506462 350161002 /nfs/dbraw/zinc/16/10/02/350161002.db2.gz DAQDQNFHEQSPHX-GZBLMMOJSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304506463 350161430 /nfs/dbraw/zinc/16/14/30/350161430.db2.gz DAQDQNFHEQSPHX-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304506466 350161020 /nfs/dbraw/zinc/16/10/20/350161020.db2.gz DAQDQNFHEQSPHX-XLWJZTARSA-N 1 0 221.388 3.733 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000304509302 528080181 /nfs/dbraw/zinc/08/01/81/528080181.db2.gz OCIZBAPTXCRRGO-ABXWRUBCSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000304509305 528079048 /nfs/dbraw/zinc/07/90/48/528079048.db2.gz OCIZBAPTXCRRGO-BLYZHGLHSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000304509308 528079869 /nfs/dbraw/zinc/07/98/69/528079869.db2.gz OCIZBAPTXCRRGO-GFJIZPEISA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000304509311 528079559 /nfs/dbraw/zinc/07/95/59/528079559.db2.gz OCIZBAPTXCRRGO-RYSNWHEDSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)C1CCCCCC1 ZINC000304514238 533548237 /nfs/dbraw/zinc/54/82/37/533548237.db2.gz OONBZSZXLNINLH-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C1CCCCCC1 ZINC000304514239 229351997 /nfs/dbraw/zinc/35/19/97/229351997.db2.gz OONBZSZXLNINLH-DYEKYZERSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C1CCCCCC1 ZINC000304514240 229352483 /nfs/dbraw/zinc/35/24/83/229352483.db2.gz OONBZSZXLNINLH-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)C1CCCCCC1 ZINC000304514245 533529565 /nfs/dbraw/zinc/52/95/65/533529565.db2.gz OONBZSZXLNINLH-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304520638 384077727 /nfs/dbraw/zinc/07/77/27/384077727.db2.gz PHYIDMBHOZAKGO-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304520645 384078380 /nfs/dbraw/zinc/07/83/80/384078380.db2.gz PHYIDMBHOZAKGO-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000304520653 384077338 /nfs/dbraw/zinc/07/73/38/384077338.db2.gz PHYIDMBHOZAKGO-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000304520659 384077949 /nfs/dbraw/zinc/07/79/49/384077949.db2.gz PHYIDMBHOZAKGO-MJBXVCDLSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000304529924 527706242 /nfs/dbraw/zinc/70/62/42/527706242.db2.gz QMKFNVWGXYRDJJ-KBPBESRZSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000304529928 527705617 /nfs/dbraw/zinc/70/56/17/527705617.db2.gz QMKFNVWGXYRDJJ-KGLIPLIRSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000304529930 527706269 /nfs/dbraw/zinc/70/62/69/527706269.db2.gz QMKFNVWGXYRDJJ-UONOGXRCSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000304529933 527705633 /nfs/dbraw/zinc/70/56/33/527705633.db2.gz QMKFNVWGXYRDJJ-ZIAGYGMSSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@@H]1C ZINC000304530194 350162332 /nfs/dbraw/zinc/16/23/32/350162332.db2.gz GSVYLVUPDCHMGJ-DBWOOVFOSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@@H]1C ZINC000304530195 350162071 /nfs/dbraw/zinc/16/20/71/350162071.db2.gz GSVYLVUPDCHMGJ-MNQBEEPXSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@H]1C ZINC000304530196 350162119 /nfs/dbraw/zinc/16/21/19/350162119.db2.gz GSVYLVUPDCHMGJ-PEZGRIKUSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@H]1C ZINC000304530199 350162500 /nfs/dbraw/zinc/16/25/00/350162500.db2.gz GSVYLVUPDCHMGJ-YRKSKIDTSA-N 1 0 221.388 3.589 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304536238 259335452 /nfs/dbraw/zinc/33/54/52/259335452.db2.gz HWEXLEHQDHXFSO-CRWXNKLISA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304536239 259335476 /nfs/dbraw/zinc/33/54/76/259335476.db2.gz HWEXLEHQDHXFSO-DGAVXFQQSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304536241 259335374 /nfs/dbraw/zinc/33/53/74/259335374.db2.gz HWEXLEHQDHXFSO-REWJHTLYSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304536242 259335470 /nfs/dbraw/zinc/33/54/70/259335470.db2.gz HWEXLEHQDHXFSO-RFQIPJPRSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@H]1C ZINC000304536906 322953257 /nfs/dbraw/zinc/95/32/57/322953257.db2.gz HYOHIJMEVPMCRE-GHRCFYLDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H]1C ZINC000304536907 398187849 /nfs/dbraw/zinc/18/78/49/398187849.db2.gz HYOHIJMEVPMCRE-JEWKUQAESA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H]1C ZINC000304536908 398187981 /nfs/dbraw/zinc/18/79/81/398187981.db2.gz HYOHIJMEVPMCRE-JSLGZRHDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@H]1C ZINC000304536911 398187987 /nfs/dbraw/zinc/18/79/87/398187987.db2.gz HYOHIJMEVPMCRE-ULXLPNHUSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)C1CCC1 ZINC000304540700 533322901 /nfs/dbraw/zinc/32/29/01/533322901.db2.gz NKGHMYDKWBITFC-LLVKDONJSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)C1CCC1 ZINC000304540701 384077371 /nfs/dbraw/zinc/07/73/71/384077371.db2.gz NKGHMYDKWBITFC-NSHDSACASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCSC1 ZINC000304541652 229353648 /nfs/dbraw/zinc/35/36/48/229353648.db2.gz SMEWPSCJYFEUDN-HZSPNIEDSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCSC1 ZINC000304541654 533599303 /nfs/dbraw/zinc/59/93/03/533599303.db2.gz SMEWPSCJYFEUDN-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCSC1 ZINC000304541656 229353420 /nfs/dbraw/zinc/35/34/20/229353420.db2.gz SMEWPSCJYFEUDN-MGPQQGTHSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCSC1 ZINC000304541658 533599768 /nfs/dbraw/zinc/59/97/68/533599768.db2.gz SMEWPSCJYFEUDN-RDBSUJKOSA-N 1 0 241.444 3.546 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000304542370 527857361 /nfs/dbraw/zinc/85/73/61/527857361.db2.gz SRRHPQCWBJBTQK-MOKVOYLWSA-N 1 0 241.444 3.688 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000304542371 527857473 /nfs/dbraw/zinc/85/74/73/527857473.db2.gz SRRHPQCWBJBTQK-ROKHWSDSSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000304554844 384078315 /nfs/dbraw/zinc/07/83/15/384078315.db2.gz UYJUJKFDDWCYHZ-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000304554846 384077672 /nfs/dbraw/zinc/07/76/72/384077672.db2.gz UYJUJKFDDWCYHZ-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000304554849 384078457 /nfs/dbraw/zinc/07/84/57/384078457.db2.gz UYJUJKFDDWCYHZ-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000304554850 384077231 /nfs/dbraw/zinc/07/72/31/384077231.db2.gz UYJUJKFDDWCYHZ-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000304557349 259335368 /nfs/dbraw/zinc/33/53/68/259335368.db2.gz KWZPKIYQQBHBDB-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000304557360 259335479 /nfs/dbraw/zinc/33/54/79/259335479.db2.gz KWZPKIYQQBHBDB-MJBXVCDLSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304560568 487511722 /nfs/dbraw/zinc/51/17/22/487511722.db2.gz LGLZMLUUZHKFFB-RRFJBIMHSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304560577 487511469 /nfs/dbraw/zinc/51/14/69/487511469.db2.gz LGLZMLUUZHKFFB-ZNMIVQPWSA-N 1 0 221.388 3.735 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304560593 350163345 /nfs/dbraw/zinc/16/33/45/350163345.db2.gz LGNAQACASKENSN-SUHUHFCYSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304560600 350163210 /nfs/dbraw/zinc/16/32/10/350163210.db2.gz LGNAQACASKENSN-ZKYQVNSYSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000304560751 350163111 /nfs/dbraw/zinc/16/31/11/350163111.db2.gz LHTWLOYLJHPVGQ-IACUBPJLSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000304560766 350162858 /nfs/dbraw/zinc/16/28/58/350162858.db2.gz LHTWLOYLJHPVGQ-YUTCNCBUSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000304564921 533766003 /nfs/dbraw/zinc/76/60/03/533766003.db2.gz QNDRHIDUJWNHKZ-LLVKDONJSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000304564922 533504889 /nfs/dbraw/zinc/50/48/89/533504889.db2.gz QNDRHIDUJWNHKZ-NSHDSACASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304568495 350162785 /nfs/dbraw/zinc/16/27/85/350162785.db2.gz MEZNAGFGOVCRHO-FQKPHLNHSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304568499 350163134 /nfs/dbraw/zinc/16/31/34/350163134.db2.gz MEZNAGFGOVCRHO-GZBLMMOJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304568502 350163156 /nfs/dbraw/zinc/16/31/56/350163156.db2.gz MEZNAGFGOVCRHO-KHMAMNHCSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304568509 350163048 /nfs/dbraw/zinc/16/30/48/350163048.db2.gz MEZNAGFGOVCRHO-XLWJZTARSA-N 1 0 221.388 3.591 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304577927 322991375 /nfs/dbraw/zinc/99/13/75/322991375.db2.gz NQCYEHFBMJEMNJ-MMCPYJTDSA-N 1 0 221.388 3.591 20 0 BHADRO CC1CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304577944 384296040 /nfs/dbraw/zinc/29/60/40/384296040.db2.gz NQCYEHFBMJEMNJ-PCGVCOGMSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C(C[NH2+]C[C@H]1CCCSC1)C(C)C ZINC000304579418 527587481 /nfs/dbraw/zinc/58/74/81/527587481.db2.gz YGAVWGGNFWNPCZ-CYBMUJFWSA-N 1 0 243.460 3.647 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H]1CCCSC1)C(C)C ZINC000304579421 527587594 /nfs/dbraw/zinc/58/75/94/527587594.db2.gz YGAVWGGNFWNPCZ-ZDUSSCGKSA-N 1 0 243.460 3.647 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H](C)C1 ZINC000304580829 384093487 /nfs/dbraw/zinc/09/34/87/384093487.db2.gz YIXVJPZPEAVTAH-MQYQWHSLSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H](C)C1 ZINC000304580833 384093921 /nfs/dbraw/zinc/09/39/21/384093921.db2.gz YIXVJPZPEAVTAH-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000304580837 384093957 /nfs/dbraw/zinc/09/39/57/384093957.db2.gz YIXVJPZPEAVTAH-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@H](C)C1 ZINC000304580839 384093219 /nfs/dbraw/zinc/09/32/19/384093219.db2.gz YIXVJPZPEAVTAH-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000304584580 529657805 /nfs/dbraw/zinc/65/78/05/529657805.db2.gz ONQLIUQOJKSZMO-MROQNXINSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304597968 350157688 /nfs/dbraw/zinc/15/76/88/350157688.db2.gz QDYIEDOZUTUEBO-FQKPHLNHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304597974 350157355 /nfs/dbraw/zinc/15/73/55/350157355.db2.gz QDYIEDOZUTUEBO-GZBLMMOJSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304597981 350157841 /nfs/dbraw/zinc/15/78/41/350157841.db2.gz QDYIEDOZUTUEBO-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304597993 350157280 /nfs/dbraw/zinc/15/72/80/350157280.db2.gz QDYIEDOZUTUEBO-XLWJZTARSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000304603253 384631548 /nfs/dbraw/zinc/63/15/48/384631548.db2.gz QRPAMHJMELNTCB-BEAPCOKYSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000304603257 384634070 /nfs/dbraw/zinc/63/40/70/384634070.db2.gz QRPAMHJMELNTCB-FAAHXZRKSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000304603262 350158481 /nfs/dbraw/zinc/15/84/81/350158481.db2.gz QRPAMHJMELNTCB-MHEUCROKSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000304603266 384094686 /nfs/dbraw/zinc/09/46/86/384094686.db2.gz QRPAMHJMELNTCB-PMOUVXMZSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000304603269 350158161 /nfs/dbraw/zinc/15/81/61/350158161.db2.gz QRPAMHJMELNTCB-SPWCGHHHSA-N 1 0 215.340 3.526 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000304604253 350158320 /nfs/dbraw/zinc/15/83/20/350158320.db2.gz QTPMSTHTLQHMRF-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000304604268 350158452 /nfs/dbraw/zinc/15/84/52/350158452.db2.gz QTPMSTHTLQHMRF-MJBXVCDLSA-N 1 0 221.388 3.735 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304604278 644920322 /nfs/dbraw/zinc/92/03/22/644920322.db2.gz QTZFNFBEDQJGKQ-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304604279 644919746 /nfs/dbraw/zinc/91/97/46/644919746.db2.gz QTZFNFBEDQJGKQ-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304604282 644920642 /nfs/dbraw/zinc/92/06/42/644920642.db2.gz QTZFNFBEDQJGKQ-MJBXVCDLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000304606467 350158169 /nfs/dbraw/zinc/15/81/69/350158169.db2.gz RBPVVNUUPQTFKF-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000304606480 350158517 /nfs/dbraw/zinc/15/85/17/350158517.db2.gz RBPVVNUUPQTFKF-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000304606485 350158492 /nfs/dbraw/zinc/15/84/92/350158492.db2.gz RBPVVNUUPQTFKF-MHEUCROKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000304606501 350158624 /nfs/dbraw/zinc/15/86/24/350158624.db2.gz RBPVVNUUPQTFKF-SPWCGHHHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304606532 384419082 /nfs/dbraw/zinc/41/90/82/384419082.db2.gz RBVWIPQSDPWGMN-FQKPHLNHSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304606535 384418110 /nfs/dbraw/zinc/41/81/10/384418110.db2.gz RBVWIPQSDPWGMN-GZBLMMOJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304606543 322956953 /nfs/dbraw/zinc/95/69/53/322956953.db2.gz RBVWIPQSDPWGMN-QMIVOQANSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304606546 384418977 /nfs/dbraw/zinc/41/89/77/384418977.db2.gz RBVWIPQSDPWGMN-UXXRCYHCSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304611279 323003364 /nfs/dbraw/zinc/00/33/64/323003364.db2.gz RRRMPKUYIMKPNT-DGAVXFQQSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304611280 323003357 /nfs/dbraw/zinc/00/33/57/323003357.db2.gz RRRMPKUYIMKPNT-FQUUOJAGSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304611281 323003380 /nfs/dbraw/zinc/00/33/80/323003380.db2.gz RRRMPKUYIMKPNT-IGQOVBAYSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304611282 323003362 /nfs/dbraw/zinc/00/33/62/323003362.db2.gz RRRMPKUYIMKPNT-REWJHTLYSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000304623189 229549738 /nfs/dbraw/zinc/54/97/38/229549738.db2.gz UHQLLHJIBFLSLV-QNWHQSFQSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304623194 635945897 /nfs/dbraw/zinc/94/58/97/635945897.db2.gz UHQLLHJIBFLSLV-RVMXOQNASA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304623204 411373862 /nfs/dbraw/zinc/37/38/62/411373862.db2.gz UHQLLHJIBFLSLV-WUHRBBMRSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304623209 644921142 /nfs/dbraw/zinc/92/11/42/644921142.db2.gz UHQLLHJIBFLSLV-XQHKEYJVSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304623215 635944501 /nfs/dbraw/zinc/94/45/01/635944501.db2.gz UHQLLHJIBFLSLV-YVECIDJPSA-N 1 0 235.396 3.896 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304625108 487512031 /nfs/dbraw/zinc/51/20/31/487512031.db2.gz UOEXYJFBBGVXAD-IACUBPJLSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304625119 487512104 /nfs/dbraw/zinc/51/21/04/487512104.db2.gz UOEXYJFBBGVXAD-YUTCNCBUSA-N 1 0 221.388 3.733 20 0 BHADRO C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC1CCCC1 ZINC000304628034 350158898 /nfs/dbraw/zinc/15/88/98/350158898.db2.gz VBEDTXDBCOWORH-RRFJBIMHSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CC1CCCC1 ZINC000304628036 350158955 /nfs/dbraw/zinc/15/89/55/350158955.db2.gz VBEDTXDBCOWORH-ZNMIVQPWSA-N 1 0 221.388 3.735 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000304633461 323007616 /nfs/dbraw/zinc/00/76/16/323007616.db2.gz VVHGYYWIGOXPKE-DDTOSNHZSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304633462 323007586 /nfs/dbraw/zinc/00/75/86/323007586.db2.gz VVHGYYWIGOXPKE-GDLCADMTSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000304633465 323007622 /nfs/dbraw/zinc/00/76/22/323007622.db2.gz VVHGYYWIGOXPKE-ZLKJLUDKSA-N 1 0 235.396 3.589 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)SC ZINC000304639116 644923050 /nfs/dbraw/zinc/92/30/50/644923050.db2.gz WOHGRCWHEMEWMY-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)SC ZINC000304639121 644924104 /nfs/dbraw/zinc/92/41/04/644924104.db2.gz WOHGRCWHEMEWMY-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)SC ZINC000304639123 644923123 /nfs/dbraw/zinc/92/31/23/644923123.db2.gz WOHGRCWHEMEWMY-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@H](C)C1 ZINC000304647715 385955248 /nfs/dbraw/zinc/95/52/48/385955248.db2.gz XXBGXAJSSQFFMO-AMVBZWJASA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@H](C)C1 ZINC000304647722 385955430 /nfs/dbraw/zinc/95/54/30/385955430.db2.gz XXBGXAJSSQFFMO-GGUBGCTKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@@H](C)C1 ZINC000304647723 385956019 /nfs/dbraw/zinc/95/60/19/385956019.db2.gz XXBGXAJSSQFFMO-QAIIKZMUSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@@H](C)C1 ZINC000304647724 385955870 /nfs/dbraw/zinc/95/58/70/385955870.db2.gz XXBGXAJSSQFFMO-XWSJDDSLSA-N 1 0 221.388 3.589 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000304652402 385955122 /nfs/dbraw/zinc/95/51/22/385955122.db2.gz YPAPRJUAVKRVLY-IACUBPJLSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000304652407 385954691 /nfs/dbraw/zinc/95/46/91/385954691.db2.gz YPAPRJUAVKRVLY-YUTCNCBUSA-N 1 0 235.758 3.618 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304655607 385954527 /nfs/dbraw/zinc/95/45/27/385954527.db2.gz ZBTDQWWITLGTCX-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304655618 352736349 /nfs/dbraw/zinc/73/63/49/352736349.db2.gz ZBTDQWWITLGTCX-QKGCVVFFSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304655623 385955097 /nfs/dbraw/zinc/95/50/97/385955097.db2.gz ZBTDQWWITLGTCX-SEBNEYGDSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304655624 385955973 /nfs/dbraw/zinc/95/59/73/385955973.db2.gz ZBTDQWWITLGTCX-XLWJZTARSA-N 1 0 221.388 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000304660283 644923884 /nfs/dbraw/zinc/92/38/84/644923884.db2.gz ZPLKALMHJAYCQT-CFVMTHIKSA-N 1 0 221.388 3.878 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+]C1CCCCCCC1 ZINC000304660288 644923103 /nfs/dbraw/zinc/92/31/03/644923103.db2.gz ZPLKALMHJAYCQT-NWANDNLSSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc2ccccc2c1)C(C)C ZINC000304863310 171532185 /nfs/dbraw/zinc/53/21/85/171532185.db2.gz IEMYXZUFYDPGDV-HNNXBMFYSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)C(C)C ZINC000304863311 357175425 /nfs/dbraw/zinc/17/54/25/357175425.db2.gz IEMYXZUFYDPGDV-OAHLLOKOSA-N 1 0 242.366 3.759 20 0 BHADRO CCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000304863331 635947454 /nfs/dbraw/zinc/94/74/54/635947454.db2.gz KYOLAYOMLFYMMX-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CCCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000304863352 644937375 /nfs/dbraw/zinc/93/73/75/644937375.db2.gz QCEVNFFCVQLDOE-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CC(C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000304863373 387518865 /nfs/dbraw/zinc/51/88/65/387518865.db2.gz VEFDPDURHFWDRM-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc2ccccc2c1 ZINC000304865417 644936351 /nfs/dbraw/zinc/93/63/51/644936351.db2.gz CTRHIWNHOCDQBP-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCC(C)(C)C)cc1 ZINC000304975670 533695279 /nfs/dbraw/zinc/69/52/79/533695279.db2.gz DYWDXVQVBRGQPU-CYBMUJFWSA-N 1 0 249.398 4.000 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCC(C)(C)C)cc1 ZINC000304975671 533683469 /nfs/dbraw/zinc/68/34/69/533683469.db2.gz DYWDXVQVBRGQPU-ZDUSSCGKSA-N 1 0 249.398 4.000 20 0 BHADRO CCC(CC)(CC)CNC(=[NH2+])Nc1ccccc1 ZINC000305023069 642632924 /nfs/dbraw/zinc/63/29/24/642632924.db2.gz GDCFGHWCLQUAGN-UHFFFAOYSA-N 1 0 247.386 3.839 20 0 BHADRO FCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000305141288 229365552 /nfs/dbraw/zinc/36/55/52/229365552.db2.gz YPFJKXXDKFJASC-INIZCTEOSA-N 1 0 243.325 3.530 20 0 BHADRO FCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000305141292 229365593 /nfs/dbraw/zinc/36/55/93/229365593.db2.gz YPFJKXXDKFJASC-MRXNPFEDSA-N 1 0 243.325 3.530 20 0 BHADRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CCC1 ZINC000305251313 387587294 /nfs/dbraw/zinc/58/72/94/387587294.db2.gz ZEIAPTCQRTVEAM-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CCC1 ZINC000305251315 176881599 /nfs/dbraw/zinc/88/15/99/176881599.db2.gz ZEIAPTCQRTVEAM-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CCSCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000305498836 256517767 /nfs/dbraw/zinc/51/77/67/256517767.db2.gz IEHABGROMBCEDY-UHFFFAOYSA-N 1 0 249.423 3.665 20 0 BHADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCF ZINC000305567564 384361497 /nfs/dbraw/zinc/36/14/97/384361497.db2.gz CMNFJJGCWITJIL-JTQLQIEISA-N 1 0 235.302 3.615 20 0 BHADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCF ZINC000305567568 259305138 /nfs/dbraw/zinc/30/51/38/259305138.db2.gz CMNFJJGCWITJIL-SNVBAGLBSA-N 1 0 235.302 3.615 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CCOCC1)C(C)(C)C ZINC000305894853 352978433 /nfs/dbraw/zinc/97/84/33/352978433.db2.gz CFEFNTUXHVBCCK-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH3+])c1ccc(OCCC2CCCC2)cc1 ZINC000305899223 343870844 /nfs/dbraw/zinc/87/08/44/343870844.db2.gz ZNRUQKLGJFTBJJ-LBPRGKRZSA-N 1 0 233.355 3.665 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000305899357 533432706 /nfs/dbraw/zinc/43/27/06/533432706.db2.gz DHJRJDOBURVGGB-NEPJUHHUSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000305899358 533880330 /nfs/dbraw/zinc/88/03/30/533880330.db2.gz DHJRJDOBURVGGB-NWDGAFQWSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000305899359 533905746 /nfs/dbraw/zinc/90/57/46/533905746.db2.gz DHJRJDOBURVGGB-RYUDHWBXSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000305899360 256520164 /nfs/dbraw/zinc/52/01/64/256520164.db2.gz DHJRJDOBURVGGB-VXGBXAGGSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000305899385 384469910 /nfs/dbraw/zinc/46/99/10/384469910.db2.gz LINNZAVXVKUEAS-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000305899386 256520448 /nfs/dbraw/zinc/52/04/48/256520448.db2.gz LINNZAVXVKUEAS-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000305899387 384470242 /nfs/dbraw/zinc/47/02/42/384470242.db2.gz LINNZAVXVKUEAS-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000305899388 256520472 /nfs/dbraw/zinc/52/04/72/256520472.db2.gz LINNZAVXVKUEAS-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000305899389 384469206 /nfs/dbraw/zinc/46/92/06/384469206.db2.gz MIFLWTGOJMCOJV-CYBMUJFWSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000305899390 384470003 /nfs/dbraw/zinc/47/00/03/384470003.db2.gz MIFLWTGOJMCOJV-ZDUSSCGKSA-N 1 0 245.357 3.982 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000305899411 384469623 /nfs/dbraw/zinc/46/96/23/384469623.db2.gz PAXLRMXFVYGRRL-AGIUHOORSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000305899412 384471092 /nfs/dbraw/zinc/47/10/92/384471092.db2.gz PAXLRMXFVYGRRL-FRRDWIJNSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000305899413 256521171 /nfs/dbraw/zinc/52/11/71/256521171.db2.gz PAXLRMXFVYGRRL-JHJVBQTASA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000305899414 384470452 /nfs/dbraw/zinc/47/04/52/384470452.db2.gz PAXLRMXFVYGRRL-UPJWGTAASA-N 1 0 245.357 3.838 20 0 BHADRO C[C@H]1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@H](C)C1 ZINC000305899435 256521211 /nfs/dbraw/zinc/52/12/11/256521211.db2.gz RLOUWGBVNMKEMS-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@@H](C)C1 ZINC000305899436 384470098 /nfs/dbraw/zinc/47/00/98/384470098.db2.gz RLOUWGBVNMKEMS-QNWHQSFQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC([NH2+]C[C@H]2CCC(F)(F)C2)C[C@H](C)C1 ZINC000305899437 256520924 /nfs/dbraw/zinc/52/09/24/256520924.db2.gz RLOUWGBVNMKEMS-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@@H](C)C1 ZINC000305899438 384468980 /nfs/dbraw/zinc/46/89/80/384468980.db2.gz RLOUWGBVNMKEMS-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000305899443 256520869 /nfs/dbraw/zinc/52/08/69/256520869.db2.gz RUAXMIWMYQOHIC-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000305899444 384470342 /nfs/dbraw/zinc/47/03/42/384470342.db2.gz RUAXMIWMYQOHIC-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000305899445 384470126 /nfs/dbraw/zinc/47/01/26/384470126.db2.gz RUAXMIWMYQOHIC-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000305899446 256521222 /nfs/dbraw/zinc/52/12/22/256521222.db2.gz RUAXMIWMYQOHIC-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000305899476 384471413 /nfs/dbraw/zinc/47/14/13/384471413.db2.gz XOHXFBAIUKPXNE-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000305899477 384471008 /nfs/dbraw/zinc/47/10/08/384471008.db2.gz XOHXFBAIUKPXNE-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000305899478 384470160 /nfs/dbraw/zinc/47/01/60/384470160.db2.gz XOHXFBAIUKPXNE-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000305899479 384470391 /nfs/dbraw/zinc/47/03/91/384470391.db2.gz XOHXFBAIUKPXNE-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1[nH+]c2c(n1CCC1CCCC1)CCCC2 ZINC000305911467 343892325 /nfs/dbraw/zinc/89/23/25/343892325.db2.gz FTCNLZDKLZUZII-UHFFFAOYSA-N 1 0 232.371 3.651 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000305914988 229385466 /nfs/dbraw/zinc/38/54/66/229385466.db2.gz ARNSFQUKPNBWAS-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000305914989 533619387 /nfs/dbraw/zinc/61/93/87/533619387.db2.gz ARNSFQUKPNBWAS-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000305914990 533619330 /nfs/dbraw/zinc/61/93/30/533619330.db2.gz ARNSFQUKPNBWAS-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000305914991 229385951 /nfs/dbraw/zinc/38/59/51/229385951.db2.gz ARNSFQUKPNBWAS-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H]1CCC(F)(F)C1)C(C)C ZINC000305945470 527587987 /nfs/dbraw/zinc/58/79/87/527587987.db2.gz GPCGBOZKNMOOLB-GFCCVEGCSA-N 1 0 247.373 3.940 20 0 BHADRO CC(C)C(C[NH2+]C[C@H]1CCC(F)(F)C1)C(C)C ZINC000305945473 527587218 /nfs/dbraw/zinc/58/72/18/527587218.db2.gz GPCGBOZKNMOOLB-LBPRGKRZSA-N 1 0 247.373 3.940 20 0 BHADRO CCc1ccc(-c2cc([C@@H]([NH3+])C(C)C)on2)cc1 ZINC000305959019 642712865 /nfs/dbraw/zinc/71/28/65/642712865.db2.gz WKPQKEKDAWWLAJ-HNNXBMFYSA-N 1 0 244.338 3.560 20 0 BHADRO CCc1ccc(-c2cc([C@H]([NH3+])C(C)C)on2)cc1 ZINC000305959022 643283198 /nfs/dbraw/zinc/28/31/98/643283198.db2.gz WKPQKEKDAWWLAJ-OAHLLOKOSA-N 1 0 244.338 3.560 20 0 BHADRO CCSCCCNc1cc[nH+]c2ccccc12 ZINC000305961647 384444069 /nfs/dbraw/zinc/44/40/69/384444069.db2.gz FLNXSLRXMASLJH-UHFFFAOYSA-N 1 0 246.379 3.790 20 0 BHADRO Cc1[nH+]c2c(n1C[C@H](C)CC(C)C)CCCC2 ZINC000305964793 343919378 /nfs/dbraw/zinc/91/93/78/343919378.db2.gz OYNYZIDUHSMQKY-GFCCVEGCSA-N 1 0 234.387 3.753 20 0 BHADRO Cc1[nH+]c2c(n1C[C@@H](C)CC(C)C)CCCC2 ZINC000305964795 343919544 /nfs/dbraw/zinc/91/95/44/343919544.db2.gz OYNYZIDUHSMQKY-LBPRGKRZSA-N 1 0 234.387 3.753 20 0 BHADRO COc1cccc(CC[NH2+]C[C@@H](C)CC(C)C)c1 ZINC000305968363 533465812 /nfs/dbraw/zinc/46/58/12/533465812.db2.gz PMLKLEXHCKSQPU-AWEZNQCLSA-N 1 0 249.398 3.510 20 0 BHADRO COc1cccc(CC[NH2+]C[C@H](C)CC(C)C)c1 ZINC000305968364 533465655 /nfs/dbraw/zinc/46/56/55/533465655.db2.gz PMLKLEXHCKSQPU-CQSZACIVSA-N 1 0 249.398 3.510 20 0 BHADRO C1=CC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000305974473 384509146 /nfs/dbraw/zinc/50/91/46/384509146.db2.gz BZINWDGVNRPMDW-CYBMUJFWSA-N 1 0 233.399 3.901 20 0 BHADRO C1=CC[C@H](C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000305974475 526418115 /nfs/dbraw/zinc/41/81/15/526418115.db2.gz BZINWDGVNRPMDW-ZDUSSCGKSA-N 1 0 233.399 3.901 20 0 BHADRO COCc1cccc(C[NH2+]C[C@@H](C)CC(C)C)c1 ZINC000305994655 229387530 /nfs/dbraw/zinc/38/75/30/229387530.db2.gz UDHDVXMIBBLBNV-AWEZNQCLSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1cccc(C[NH2+]C[C@H](C)CC(C)C)c1 ZINC000305994657 229387619 /nfs/dbraw/zinc/38/76/19/229387619.db2.gz UDHDVXMIBBLBNV-CQSZACIVSA-N 1 0 249.398 3.605 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000306010596 528937091 /nfs/dbraw/zinc/93/70/91/528937091.db2.gz ICDLOTXCCVBYGN-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@H](C)CCC(C)(C)C ZINC000306010598 528936269 /nfs/dbraw/zinc/93/62/69/528936269.db2.gz ICDLOTXCCVBYGN-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000306010600 583532896 /nfs/dbraw/zinc/53/28/96/583532896.db2.gz ICDLOTXCCVBYGN-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@H](C)CCC(C)(C)C ZINC000306010602 528125938 /nfs/dbraw/zinc/12/59/38/528125938.db2.gz ICDLOTXCCVBYGN-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO COCc1ccccc1C[NH2+]C[C@@H](C)CC(C)C ZINC000306015060 229387051 /nfs/dbraw/zinc/38/70/51/229387051.db2.gz XJVPJDQYMAZAFZ-AWEZNQCLSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1ccccc1C[NH2+]C[C@H](C)CC(C)C ZINC000306015061 229387554 /nfs/dbraw/zinc/38/75/54/229387554.db2.gz XJVPJDQYMAZAFZ-CQSZACIVSA-N 1 0 249.398 3.605 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000306022645 229554022 /nfs/dbraw/zinc/55/40/22/229554022.db2.gz QHSFNJZNRFRROK-CHWSQXEVSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000306022646 229553795 /nfs/dbraw/zinc/55/37/95/229553795.db2.gz QHSFNJZNRFRROK-OLZOCXBDSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000306022648 229553830 /nfs/dbraw/zinc/55/38/30/229553830.db2.gz QHSFNJZNRFRROK-QWHCGFSZSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000306022650 384512478 /nfs/dbraw/zinc/51/24/78/384512478.db2.gz QHSFNJZNRFRROK-STQMWFEESA-N 1 0 243.341 3.758 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)c1ccccn1)C1CC1 ZINC000306031780 527848828 /nfs/dbraw/zinc/84/88/28/527848828.db2.gz LKSAMLWWNLRVKY-BBRMVZONSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)c1ccccn1)C1CC1 ZINC000306031781 527850381 /nfs/dbraw/zinc/85/03/81/527850381.db2.gz LKSAMLWWNLRVKY-CJNGLKHVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H](C)c1ccccn1)C1CC1 ZINC000306031783 527812823 /nfs/dbraw/zinc/81/28/23/527812823.db2.gz LKSAMLWWNLRVKY-CZUORRHYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C1CC1 ZINC000306031784 527811083 /nfs/dbraw/zinc/81/10/83/527811083.db2.gz LKSAMLWWNLRVKY-XJKSGUPXSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H](C[NH2+]CCOC1CCCCC1)C(C)(C)C ZINC000306033166 487605090 /nfs/dbraw/zinc/60/50/90/487605090.db2.gz ODMBVIQUOKJKRX-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](C[NH2+]CCOC1CCCCC1)C(C)(C)C ZINC000306033169 487605395 /nfs/dbraw/zinc/60/53/95/487605395.db2.gz ODMBVIQUOKJKRX-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000306037604 384521818 /nfs/dbraw/zinc/52/18/18/384521818.db2.gz SRLVWQZWQMRPQW-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000306037605 384522606 /nfs/dbraw/zinc/52/26/06/384522606.db2.gz SRLVWQZWQMRPQW-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000306037606 384522258 /nfs/dbraw/zinc/52/22/58/384522258.db2.gz SRLVWQZWQMRPQW-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000306037607 384521333 /nfs/dbraw/zinc/52/13/33/384521333.db2.gz SRLVWQZWQMRPQW-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](CCO)C(C)(C)C ZINC000306052319 533812394 /nfs/dbraw/zinc/81/23/94/533812394.db2.gz PVTKBMDSOYQACY-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000306052321 533811573 /nfs/dbraw/zinc/81/15/73/533811573.db2.gz PVTKBMDSOYQACY-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H](CCO)C(C)(C)C ZINC000306052323 533521075 /nfs/dbraw/zinc/52/10/75/533521075.db2.gz PVTKBMDSOYQACY-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000306052326 533520590 /nfs/dbraw/zinc/52/05/90/533520590.db2.gz PVTKBMDSOYQACY-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000306063392 533811506 /nfs/dbraw/zinc/81/15/06/533811506.db2.gz TZCXYQHHWUDPLK-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000306063395 533812706 /nfs/dbraw/zinc/81/27/06/533812706.db2.gz TZCXYQHHWUDPLK-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000306063397 533520927 /nfs/dbraw/zinc/52/09/27/533520927.db2.gz TZCXYQHHWUDPLK-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000306063398 533521098 /nfs/dbraw/zinc/52/10/98/533521098.db2.gz TZCXYQHHWUDPLK-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cn[nH]c2)CCCC1 ZINC000306070107 527695069 /nfs/dbraw/zinc/69/50/69/527695069.db2.gz ZNJWZPGBUGZQEU-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cn[nH]c2)CCCC1 ZINC000306070110 527695354 /nfs/dbraw/zinc/69/53/54/527695354.db2.gz ZNJWZPGBUGZQEU-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306071523 384956735 /nfs/dbraw/zinc/95/67/35/384956735.db2.gz CIRVEGHQUZSHII-ARLBYUKCSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306071526 384959245 /nfs/dbraw/zinc/95/92/45/384959245.db2.gz CIRVEGHQUZSHII-HNKHHVNMSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000306072135 487606253 /nfs/dbraw/zinc/60/62/53/487606253.db2.gz CRSVFNCTDCJXJZ-UJDVCPFMSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000306072136 487606260 /nfs/dbraw/zinc/60/62/60/487606260.db2.gz CRSVFNCTDCJXJZ-UZMCECQYSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000306072137 487606018 /nfs/dbraw/zinc/60/60/18/487606018.db2.gz CRSVFNCTDCJXJZ-YYWXWVFPSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000306072139 487606382 /nfs/dbraw/zinc/60/63/82/487606382.db2.gz CRSVFNCTDCJXJZ-ZIEJDFEHSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306072732 487606058 /nfs/dbraw/zinc/60/60/58/487606058.db2.gz DDVWUEYZESIWJQ-BVUBDWEXSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306072835 487606554 /nfs/dbraw/zinc/60/65/54/487606554.db2.gz DDVWUEYZESIWJQ-SLBVQIDZSA-N 1 0 229.367 3.834 20 0 BHADRO c1csc(CC[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000306072969 384532372 /nfs/dbraw/zinc/53/23/72/384532372.db2.gz XLGGIQAPWLMTHZ-UHFFFAOYSA-N 1 0 249.423 3.849 20 0 BHADRO CC(C)CC[C@H]([NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000306073887 322829965 /nfs/dbraw/zinc/82/99/65/322829965.db2.gz YARJQDSEZCXIJP-HNNXBMFYSA-N 1 0 235.415 3.979 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000306073888 322829870 /nfs/dbraw/zinc/82/98/70/322829870.db2.gz YARJQDSEZCXIJP-OAHLLOKOSA-N 1 0 235.415 3.979 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](CCC(C)C)C2CC2)cn1 ZINC000306076302 384545921 /nfs/dbraw/zinc/54/59/21/384545921.db2.gz ZMIZTAQJOLDJJT-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](CCC(C)C)C2CC2)cn1 ZINC000306076303 178630816 /nfs/dbraw/zinc/63/08/16/178630816.db2.gz ZMIZTAQJOLDJJT-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000306076359 343980446 /nfs/dbraw/zinc/98/04/46/343980446.db2.gz GJJQDPXAWGCXSG-ARLBYUKCSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000306076360 343980890 /nfs/dbraw/zinc/98/08/90/343980890.db2.gz GJJQDPXAWGCXSG-BVUBDWEXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000306076361 229388919 /nfs/dbraw/zinc/38/89/19/229388919.db2.gz GJJQDPXAWGCXSG-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000306076363 343980904 /nfs/dbraw/zinc/98/09/04/343980904.db2.gz GJJQDPXAWGCXSG-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000306076364 343981086 /nfs/dbraw/zinc/98/10/86/343981086.db2.gz GJJQDPXAWGCXSG-SLBVQIDZSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000306085750 529126317 /nfs/dbraw/zinc/12/63/17/529126317.db2.gz GLWGTRHEUWLRHK-CFVMTHIKSA-N 1 0 249.423 3.725 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000306085751 529126667 /nfs/dbraw/zinc/12/66/67/529126667.db2.gz GLWGTRHEUWLRHK-QEJZJMRPSA-N 1 0 249.423 3.725 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000306085752 529126912 /nfs/dbraw/zinc/12/69/12/529126912.db2.gz GLWGTRHEUWLRHK-SNPRPXQTSA-N 1 0 249.423 3.725 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000306085753 529125978 /nfs/dbraw/zinc/12/59/78/529125978.db2.gz GLWGTRHEUWLRHK-YUELXQCFSA-N 1 0 249.423 3.725 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000306086430 229388913 /nfs/dbraw/zinc/38/89/13/229388913.db2.gz GVAYBARJZVHXTP-KBPBESRZSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000306086432 229388099 /nfs/dbraw/zinc/38/80/99/229388099.db2.gz GVAYBARJZVHXTP-UONOGXRCSA-N 1 0 249.423 3.789 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306099006 343696358 /nfs/dbraw/zinc/69/63/58/343696358.db2.gz OSKGUMSVPNWLAU-JMGFVUJMSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306099008 343696233 /nfs/dbraw/zinc/69/62/33/343696233.db2.gz OSKGUMSVPNWLAU-WXYCVUISSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000306106672 259308675 /nfs/dbraw/zinc/30/86/75/259308675.db2.gz STXGBVIYIWRIJJ-KGLIPLIRSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)cc1 ZINC000306106673 259308641 /nfs/dbraw/zinc/30/86/41/259308641.db2.gz STXGBVIYIWRIJJ-ZIAGYGMSSA-N 1 0 249.423 3.789 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000306116728 643302029 /nfs/dbraw/zinc/30/20/29/643302029.db2.gz WLXFBBXZYXMKHI-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000306116729 643302795 /nfs/dbraw/zinc/30/27/95/643302795.db2.gz WLXFBBXZYXMKHI-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000306117259 229387895 /nfs/dbraw/zinc/38/78/95/229387895.db2.gz WQFNZIBVOMUNCK-XABYNWHXSA-N 1 0 247.357 3.535 20 0 BHADRO CC1([NH2+]Cc2cscc2Cl)CCCC1 ZINC000306150406 491118354 /nfs/dbraw/zinc/11/83/54/491118354.db2.gz BDMJPCQNHWEZCG-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO c1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000306176710 229389838 /nfs/dbraw/zinc/38/98/38/229389838.db2.gz NKUONZMLLKTSHM-UHFFFAOYSA-N 1 0 229.367 3.745 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000306185194 635958310 /nfs/dbraw/zinc/95/83/10/635958310.db2.gz MNEBPIZWFKUUND-JTQLQIEISA-N 1 0 246.192 3.550 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000306185199 635958502 /nfs/dbraw/zinc/95/85/02/635958502.db2.gz MNEBPIZWFKUUND-SNVBAGLBSA-N 1 0 246.192 3.550 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000306189291 490629908 /nfs/dbraw/zinc/62/99/08/490629908.db2.gz CVZOFCCZXLGKAP-UHFFFAOYSA-N 1 0 231.261 3.507 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@H]1C ZINC000306207073 384610300 /nfs/dbraw/zinc/61/03/00/384610300.db2.gz JTOMYBOEQAWMQB-KHQFGBGNSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC000306207075 384610415 /nfs/dbraw/zinc/61/04/15/384610415.db2.gz JTOMYBOEQAWMQB-MRTMQBJTSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC000306207076 384609600 /nfs/dbraw/zinc/60/96/00/384609600.db2.gz JTOMYBOEQAWMQB-NQMVMOMDSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]1C ZINC000306207077 533955430 /nfs/dbraw/zinc/95/54/30/533955430.db2.gz JTOMYBOEQAWMQB-WEDXCCLWSA-N 1 0 229.776 3.536 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccccc1)C1CC1 ZINC000306217706 527047996 /nfs/dbraw/zinc/04/79/96/527047996.db2.gz QQUXARMIQNFDSZ-UHFFFAOYSA-N 1 0 217.356 3.603 20 0 BHADRO CC1([NH2+]Cc2sccc2Cl)CCCC1 ZINC000306222077 537834168 /nfs/dbraw/zinc/83/41/68/537834168.db2.gz VOGNATDWUCVHJE-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccs1 ZINC000306222130 398131715 /nfs/dbraw/zinc/13/17/15/398131715.db2.gz QLQONZORMQYAJQ-SECBINFHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccs1 ZINC000306222132 411438553 /nfs/dbraw/zinc/43/85/53/411438553.db2.gz QLQONZORMQYAJQ-VIFPVBQESA-N 1 0 209.358 3.587 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000306241485 487589134 /nfs/dbraw/zinc/58/91/34/487589134.db2.gz LCYVZJOCUPTJMZ-SECBINFHSA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000306241494 397963702 /nfs/dbraw/zinc/96/37/02/397963702.db2.gz LCYVZJOCUPTJMZ-VIFPVBQESA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000306279403 191084811 /nfs/dbraw/zinc/08/48/11/191084811.db2.gz YSEXPPQFNDGTLE-SECBINFHSA-N 1 0 229.776 3.680 20 0 BHADRO Clc1scc(C[NH2+]C2CCC2)c1Cl ZINC000306280987 384854345 /nfs/dbraw/zinc/85/43/45/384854345.db2.gz VEKFRTLWLGVNKQ-UHFFFAOYSA-N 1 0 236.167 3.697 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000306283139 259309029 /nfs/dbraw/zinc/30/90/29/259309029.db2.gz OIMRUSHWMAQRDS-CYBMUJFWSA-N 1 0 239.309 3.602 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000306283141 259308824 /nfs/dbraw/zinc/30/88/24/259308824.db2.gz OIMRUSHWMAQRDS-ZDUSSCGKSA-N 1 0 239.309 3.602 20 0 BHADRO C[N@H+](C/C(Cl)=C/Cl)C1CCCCC1 ZINC000306292139 635963206 /nfs/dbraw/zinc/96/32/06/635963206.db2.gz UUMHDHFESAADNC-CLFYSBASSA-N 1 0 222.159 3.570 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000306308549 528889934 /nfs/dbraw/zinc/88/99/34/528889934.db2.gz KRDZOJDXJCUSCU-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000306328025 135372099 /nfs/dbraw/zinc/37/20/99/135372099.db2.gz ZAVDWVFOLQNCBY-DVVUODLYSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000306328026 398339578 /nfs/dbraw/zinc/33/95/78/398339578.db2.gz ZAVDWVFOLQNCBY-INTQDDNPSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000306328027 179554313 /nfs/dbraw/zinc/55/43/13/179554313.db2.gz ZAVDWVFOLQNCBY-LSJOCFKGSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000306328028 398339570 /nfs/dbraw/zinc/33/95/70/398339570.db2.gz ZAVDWVFOLQNCBY-MIMYLULJSA-N 1 0 209.358 3.506 20 0 BHADRO CC[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000306332098 385998646 /nfs/dbraw/zinc/99/86/46/385998646.db2.gz DLSCSRXWHHKWLR-UHFFFAOYSA-N 1 0 232.154 3.838 20 0 BHADRO Clc1ccsc1C[NH+]1CCCCCC1 ZINC000306337559 384673051 /nfs/dbraw/zinc/67/30/51/384673051.db2.gz UZLMKRFLWGULNJ-UHFFFAOYSA-N 1 0 229.776 3.778 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000306348121 229391954 /nfs/dbraw/zinc/39/19/54/229391954.db2.gz RZSRUMAUOOMXBB-CYBMUJFWSA-N 1 0 239.309 3.602 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000306348122 229391451 /nfs/dbraw/zinc/39/14/51/229391451.db2.gz RZSRUMAUOOMXBB-ZDUSSCGKSA-N 1 0 239.309 3.602 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1)c1cccs1 ZINC000306365501 384671776 /nfs/dbraw/zinc/67/17/76/384671776.db2.gz GJXKFWVAAXGAEY-UHFFFAOYSA-N 1 0 231.364 3.773 20 0 BHADRO Clc1cc(C[NH2+]C2CC=CC2)c(Cl)s1 ZINC000306366027 411444398 /nfs/dbraw/zinc/44/43/98/411444398.db2.gz DLEBXAYLZDIQCP-UHFFFAOYSA-N 1 0 248.178 3.863 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1csc(Cl)c1 ZINC000306421080 384722406 /nfs/dbraw/zinc/72/24/06/384722406.db2.gz YMDZXTDZJSVVMI-KHQFGBGNSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1csc(Cl)c1 ZINC000306421081 384724697 /nfs/dbraw/zinc/72/46/97/384724697.db2.gz YMDZXTDZJSVVMI-NRPADANISA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1csc(Cl)c1 ZINC000306421082 384722957 /nfs/dbraw/zinc/72/29/57/384722957.db2.gz YMDZXTDZJSVVMI-OYNCUSHFSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1csc(Cl)c1 ZINC000306421083 384724298 /nfs/dbraw/zinc/72/42/98/384724298.db2.gz YMDZXTDZJSVVMI-WEDXCCLWSA-N 1 0 229.776 3.851 20 0 BHADRO Clc1sccc1C[NH2+][C@H]1C=CCCC1 ZINC000306440702 384727111 /nfs/dbraw/zinc/72/71/11/384727111.db2.gz KQLUXMRKKKQBFC-JTQLQIEISA-N 1 0 227.760 3.600 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1C=CCCC1 ZINC000306440704 384727672 /nfs/dbraw/zinc/72/76/72/384727672.db2.gz KQLUXMRKKKQBFC-SNVBAGLBSA-N 1 0 227.760 3.600 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000306440972 384726994 /nfs/dbraw/zinc/72/69/94/384726994.db2.gz RTGUCHOUVDBSDD-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000306440973 384727517 /nfs/dbraw/zinc/72/75/17/384727517.db2.gz RTGUCHOUVDBSDD-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000306440974 384727212 /nfs/dbraw/zinc/72/72/12/384727212.db2.gz RTGUCHOUVDBSDD-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000306440975 384726356 /nfs/dbraw/zinc/72/63/56/384726356.db2.gz RTGUCHOUVDBSDD-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)[NH2+]Cc1csc(Cl)c1Cl ZINC000306448232 167121673 /nfs/dbraw/zinc/12/16/73/167121673.db2.gz HNHUMOPBGARARS-UHFFFAOYSA-N 1 0 224.156 3.553 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1C/C(Cl)=C/Cl ZINC000306456449 635965488 /nfs/dbraw/zinc/96/54/88/635965488.db2.gz SJYZYGLINMMFMG-PKKHPGAQSA-N 1 0 222.159 3.568 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C/C(Cl)=C/Cl ZINC000306456450 635965711 /nfs/dbraw/zinc/96/57/11/635965711.db2.gz SJYZYGLINMMFMG-VGEVTBTPSA-N 1 0 222.159 3.568 20 0 BHADRO Clc1scc(CN2CCCC2)c1Cl ZINC000306478769 384982667 /nfs/dbraw/zinc/98/26/67/384982667.db2.gz ZTJUZTGCDHYYTG-UHFFFAOYSA-N 1 0 236.167 3.651 20 0 BHADRO Clc1cscc1C[NH2+]C1CCCCC1 ZINC000306484190 643329205 /nfs/dbraw/zinc/32/92/05/643329205.db2.gz HMKGJNWKYRJSKF-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO Cc1[nH+]ccc(NCc2ccccc2)c1Cl ZINC000306496383 180200205 /nfs/dbraw/zinc/20/02/05/180200205.db2.gz XOCQTWSZEIUGIO-UHFFFAOYSA-N 1 0 232.714 3.656 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)s1 ZINC000306506554 534011791 /nfs/dbraw/zinc/01/17/91/534011791.db2.gz GVYXJYPQNRQYRU-CIUDSAMLSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)s1 ZINC000306506555 229392620 /nfs/dbraw/zinc/39/26/20/229392620.db2.gz GVYXJYPQNRQYRU-HRDYMLBCSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)s1 ZINC000306506556 534013920 /nfs/dbraw/zinc/01/39/20/534013920.db2.gz GVYXJYPQNRQYRU-VGMNWLOBSA-N 1 0 229.776 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)s1 ZINC000306506557 229393406 /nfs/dbraw/zinc/39/34/06/229393406.db2.gz GVYXJYPQNRQYRU-XHNCKOQMSA-N 1 0 229.776 3.851 20 0 BHADRO Cc1[nH+]ccc(NCCC(C)C)c1Cl ZINC000306525241 180198322 /nfs/dbraw/zinc/19/83/22/180198322.db2.gz PPTNHZZDXCSMGI-UHFFFAOYSA-N 1 0 212.724 3.501 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C/C(Cl)=C/Cl ZINC000306555666 360430255 /nfs/dbraw/zinc/43/02/55/360430255.db2.gz HVIYGPYGVWRPNI-MNTZLAJPSA-N 1 0 236.186 3.720 20 0 BHADRO CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000306570405 384777427 /nfs/dbraw/zinc/77/74/27/384777427.db2.gz MZOCTQXGTGQOBM-UHFFFAOYSA-N 1 0 230.138 3.592 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000306673502 176233447 /nfs/dbraw/zinc/23/34/47/176233447.db2.gz NXNOPMBUULVGPH-BDAKNGLRSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000306673503 177193064 /nfs/dbraw/zinc/19/30/64/177193064.db2.gz NXNOPMBUULVGPH-DTWKUNHWSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000306673504 177205543 /nfs/dbraw/zinc/20/55/43/177205543.db2.gz NXNOPMBUULVGPH-IUCAKERBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000306673505 176212897 /nfs/dbraw/zinc/21/28/97/176212897.db2.gz NXNOPMBUULVGPH-RKDXNWHRSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]C/C(Cl)=C/Cl ZINC000306673726 388386370 /nfs/dbraw/zinc/38/63/70/388386370.db2.gz OHRSRYAPQJUIKG-UEQOSDTHSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C(Cl)=C/Cl ZINC000306673727 388386403 /nfs/dbraw/zinc/38/64/03/388386403.db2.gz OHRSRYAPQJUIKG-XMZCBSEDSA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000306675736 533895540 /nfs/dbraw/zinc/89/55/40/533895540.db2.gz UFOGFQQXBXRMRZ-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000306675737 533793895 /nfs/dbraw/zinc/79/38/95/533793895.db2.gz UFOGFQQXBXRMRZ-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000306675738 229396695 /nfs/dbraw/zinc/39/66/95/229396695.db2.gz UFOGFQQXBXRMRZ-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000306675739 534180700 /nfs/dbraw/zinc/18/07/00/534180700.db2.gz UFOGFQQXBXRMRZ-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000306678119 229394678 /nfs/dbraw/zinc/39/46/78/229394678.db2.gz BAZYRBJPIJUBLB-HNNXBMFYSA-N 1 0 229.367 3.889 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000306678123 229394994 /nfs/dbraw/zinc/39/49/94/229394994.db2.gz BAZYRBJPIJUBLB-OAHLLOKOSA-N 1 0 229.367 3.889 20 0 BHADRO C[N@H+](C/C(Cl)=C/Cl)C1(C)CCCC1 ZINC000306707560 711460761 /nfs/dbraw/zinc/46/07/61/711460761.db2.gz MZOADUCPFKROTM-CLFYSBASSA-N 1 0 222.159 3.570 20 0 BHADRO Cc1scc(C[NH2+]Cc2ccccc2)c1C ZINC000306740897 343076512 /nfs/dbraw/zinc/07/65/12/343076512.db2.gz UHIYICCSUBWUCZ-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000306761839 384810192 /nfs/dbraw/zinc/81/01/92/384810192.db2.gz SJFOTPPZRGKMNI-KBPBESRZSA-N 1 0 217.356 3.601 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000306761847 384812410 /nfs/dbraw/zinc/81/24/10/384812410.db2.gz SJFOTPPZRGKMNI-KGLIPLIRSA-N 1 0 217.356 3.601 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1 ZINC000306762078 384812679 /nfs/dbraw/zinc/81/26/79/384812679.db2.gz SJFOTPPZRGKMNI-UONOGXRCSA-N 1 0 217.356 3.601 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1 ZINC000306762079 322864850 /nfs/dbraw/zinc/86/48/50/322864850.db2.gz SJFOTPPZRGKMNI-ZIAGYGMSSA-N 1 0 217.356 3.601 20 0 BHADRO CC1(C)CC([NH2+]Cc2sccc2Cl)C1 ZINC000306788287 323032038 /nfs/dbraw/zinc/03/20/38/323032038.db2.gz RQPFNLOCIGOWJP-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)s1 ZINC000306847337 385220076 /nfs/dbraw/zinc/22/00/76/385220076.db2.gz LCNGHBOIYSDONV-DVVUODLYSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)s1 ZINC000306847338 385217822 /nfs/dbraw/zinc/21/78/22/385217822.db2.gz LCNGHBOIYSDONV-INTQDDNPSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)s1 ZINC000306847339 385218809 /nfs/dbraw/zinc/21/88/09/385218809.db2.gz LCNGHBOIYSDONV-LSJOCFKGSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)s1 ZINC000306847340 178899774 /nfs/dbraw/zinc/89/97/74/178899774.db2.gz LCNGHBOIYSDONV-MIMYLULJSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cs1 ZINC000306858898 259310418 /nfs/dbraw/zinc/31/04/18/259310418.db2.gz BGLVOFBXEXKWCX-PEXQALLHSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cs1 ZINC000306858900 259310531 /nfs/dbraw/zinc/31/05/31/259310531.db2.gz BGLVOFBXEXKWCX-PTOFAABTSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cs1 ZINC000306858902 259310402 /nfs/dbraw/zinc/31/04/02/259310402.db2.gz BGLVOFBXEXKWCX-QRTLGDNMSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cs1 ZINC000306858903 259310530 /nfs/dbraw/zinc/31/05/30/259310530.db2.gz BGLVOFBXEXKWCX-UBHAPETDSA-N 1 0 209.358 3.506 20 0 BHADRO CC(C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000306938796 527735183 /nfs/dbraw/zinc/73/51/83/527735183.db2.gz JZTBAQORXNXAIG-UHFFFAOYSA-N 1 0 236.117 3.631 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccccc1 ZINC000307007717 351415397 /nfs/dbraw/zinc/41/53/97/351415397.db2.gz GWGQBHCVQXMYFU-UHFFFAOYSA-N 1 0 219.372 3.993 20 0 BHADRO Clc1scc(C[NH2+]C2CC=CC2)c1Cl ZINC000307009245 490650478 /nfs/dbraw/zinc/65/04/78/490650478.db2.gz HTZPDVUPIUYZKG-UHFFFAOYSA-N 1 0 248.178 3.863 20 0 BHADRO CSCC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000307037921 229399850 /nfs/dbraw/zinc/39/98/50/229399850.db2.gz ZWPWFOLDGVQLST-UHFFFAOYSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cscc2Cl)C1 ZINC000307060872 635981001 /nfs/dbraw/zinc/98/10/01/635981001.db2.gz NTJFCPPPROCWEZ-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000307060873 635981583 /nfs/dbraw/zinc/98/15/83/635981583.db2.gz NTJFCPPPROCWEZ-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cscc2Cl)C1 ZINC000307060874 643402828 /nfs/dbraw/zinc/40/28/28/643402828.db2.gz NTJFCPPPROCWEZ-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000307060875 643403455 /nfs/dbraw/zinc/40/34/55/643403455.db2.gz NTJFCPPPROCWEZ-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO CCC[C@@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000307063583 490651954 /nfs/dbraw/zinc/65/19/54/490651954.db2.gz HDJPAQMULDAFLV-MRVPVSSYSA-N 1 0 212.724 3.644 20 0 BHADRO CCC[C@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000307063584 490651708 /nfs/dbraw/zinc/65/17/08/490651708.db2.gz HDJPAQMULDAFLV-QMMMGPOBSA-N 1 0 212.724 3.644 20 0 BHADRO Cc1[nH+]ccc(NCC(C)(C)C)c1Cl ZINC000307084555 135382698 /nfs/dbraw/zinc/38/26/98/135382698.db2.gz WLCMIWPNIAOBPU-UHFFFAOYSA-N 1 0 212.724 3.501 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccsc2Cl)C1 ZINC000307092710 410289119 /nfs/dbraw/zinc/28/91/19/410289119.db2.gz BKQFKHMJKLDBMZ-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000307138177 388422415 /nfs/dbraw/zinc/42/24/15/388422415.db2.gz ZAOOBMCLWVGECL-LLVKDONJSA-N 1 0 231.261 3.507 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000307138178 388422062 /nfs/dbraw/zinc/42/20/62/388422062.db2.gz ZAOOBMCLWVGECL-NSHDSACASA-N 1 0 231.261 3.507 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000307190321 711773466 /nfs/dbraw/zinc/77/34/66/711773466.db2.gz ZFHQHOQHWUHXTG-CEIHKIRRSA-N 1 0 215.768 3.543 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C/C=C/Cl ZINC000307190326 643418529 /nfs/dbraw/zinc/41/85/29/643418529.db2.gz ZFHQHOQHWUHXTG-OZSGMGSPSA-N 1 0 215.768 3.543 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC2(C)C)cs1 ZINC000307286832 384981572 /nfs/dbraw/zinc/98/15/72/384981572.db2.gz SGFHJGCKIBZPLC-GXSJLCMTSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC2(C)C)cs1 ZINC000307286833 384978951 /nfs/dbraw/zinc/97/89/51/384978951.db2.gz SGFHJGCKIBZPLC-KOLCDFICSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cs1 ZINC000307286834 384979661 /nfs/dbraw/zinc/97/96/61/384979661.db2.gz SGFHJGCKIBZPLC-MWLCHTKSSA-N 1 0 209.358 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC2(C)C)cs1 ZINC000307286835 384979296 /nfs/dbraw/zinc/97/92/96/384979296.db2.gz SGFHJGCKIBZPLC-ONGXEEELSA-N 1 0 209.358 3.506 20 0 BHADRO CC(C)(C)[NH2+]Cc1csc(Cl)c1Cl ZINC000307312256 384983503 /nfs/dbraw/zinc/98/35/03/384983503.db2.gz GHAXYZJTCNDCGF-UHFFFAOYSA-N 1 0 238.183 3.943 20 0 BHADRO CC1(C)CC([NH2+]Cc2cc(Cl)cs2)C1 ZINC000307344860 259338308 /nfs/dbraw/zinc/33/83/08/259338308.db2.gz ZXVDGQVGZVVPFH-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CCC(CC)Nc1cc[nH+]c(C)c1Cl ZINC000307347887 384990722 /nfs/dbraw/zinc/99/07/22/384990722.db2.gz NJDFNFVNLCOEKZ-UHFFFAOYSA-N 1 0 212.724 3.644 20 0 BHADRO Clc1sccc1C[NH2+][C@H]1CC=CCC1 ZINC000307351463 180604109 /nfs/dbraw/zinc/60/41/09/180604109.db2.gz BIBKTPPLNIGEOM-JTQLQIEISA-N 1 0 227.760 3.600 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1CC=CCC1 ZINC000307351464 385680164 /nfs/dbraw/zinc/68/01/64/385680164.db2.gz BIBKTPPLNIGEOM-SNVBAGLBSA-N 1 0 227.760 3.600 20 0 BHADRO Clc1cc(C[NH2+]C2CCC2)c(Cl)s1 ZINC000307352387 385681630 /nfs/dbraw/zinc/68/16/30/385681630.db2.gz QYUMXXYJWBPBJD-UHFFFAOYSA-N 1 0 236.167 3.697 20 0 BHADRO Cl/C=C(/Cl)C[NH+]1CCCCCCC1 ZINC000307357128 643447508 /nfs/dbraw/zinc/44/75/08/643447508.db2.gz WBMXPKBXSSYFHU-CSKARUKUSA-N 1 0 222.159 3.572 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000307358669 388423289 /nfs/dbraw/zinc/42/32/89/388423289.db2.gz ZCYKRSDDDBPJDU-JTQLQIEISA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000307358670 388423804 /nfs/dbraw/zinc/42/38/04/388423804.db2.gz ZCYKRSDDDBPJDU-SNVBAGLBSA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000307388166 388423606 /nfs/dbraw/zinc/42/36/06/388423606.db2.gz NSMLTRFLJBHYJP-JTQLQIEISA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000307388167 388423461 /nfs/dbraw/zinc/42/34/61/388423461.db2.gz NSMLTRFLJBHYJP-SNVBAGLBSA-N 1 0 229.776 3.680 20 0 BHADRO C[N@H+](Cc1ccc(Cl)nc1Cl)C(C)(C)C ZINC000307419122 635986758 /nfs/dbraw/zinc/98/67/58/635986758.db2.gz GUPVMIWRUYCILS-UHFFFAOYSA-N 1 0 247.169 3.619 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccsc1 ZINC000307531092 323319015 /nfs/dbraw/zinc/31/90/15/323319015.db2.gz WQXWHANDLOVHCZ-SECBINFHSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccsc1 ZINC000307531094 323318990 /nfs/dbraw/zinc/31/89/90/323318990.db2.gz WQXWHANDLOVHCZ-VIFPVBQESA-N 1 0 209.358 3.587 20 0 BHADRO CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000307557056 528276195 /nfs/dbraw/zinc/27/61/95/528276195.db2.gz UYLKGNMYDGHMCD-UHFFFAOYSA-N 1 0 230.138 3.592 20 0 BHADRO Clc1sccc1C[NH2+]Cc1ccccc1 ZINC000307569867 385705308 /nfs/dbraw/zinc/70/53/08/385705308.db2.gz XXSKBKMGUCRBRT-UHFFFAOYSA-N 1 0 237.755 3.691 20 0 BHADRO Clc1cscc1C[NH2+]Cc1ccccc1 ZINC000307601549 635991128 /nfs/dbraw/zinc/99/11/28/635991128.db2.gz SGDJGUZVGREGEV-UHFFFAOYSA-N 1 0 237.755 3.691 20 0 BHADRO CS[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC000307625303 229217215 /nfs/dbraw/zinc/21/72/15/229217215.db2.gz JNSYFVADEKMZSL-CYBMUJFWSA-N 1 0 237.412 3.554 20 0 BHADRO CS[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC000307625304 533928144 /nfs/dbraw/zinc/92/81/44/533928144.db2.gz JNSYFVADEKMZSL-ZDUSSCGKSA-N 1 0 237.412 3.554 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccsc1 ZINC000307636619 176893880 /nfs/dbraw/zinc/89/38/80/176893880.db2.gz XIQIXYYAFIZEQG-GXSJLCMTSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccsc1 ZINC000307636782 487982173 /nfs/dbraw/zinc/98/21/73/487982173.db2.gz XIQIXYYAFIZEQG-KOLCDFICSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccsc1 ZINC000307636783 487982259 /nfs/dbraw/zinc/98/22/59/487982259.db2.gz XIQIXYYAFIZEQG-MWLCHTKSSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccsc1 ZINC000307636784 176918646 /nfs/dbraw/zinc/91/86/46/176918646.db2.gz XIQIXYYAFIZEQG-ONGXEEELSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000307653425 643566388 /nfs/dbraw/zinc/56/63/88/643566388.db2.gz UJNNOIOBPHOZKP-CBFJXKFUSA-N 1 0 222.159 3.570 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000307653426 643565915 /nfs/dbraw/zinc/56/59/15/643565915.db2.gz UJNNOIOBPHOZKP-SBMLRHLQSA-N 1 0 222.159 3.570 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccccc2)s1 ZINC000307733517 532957697 /nfs/dbraw/zinc/95/76/97/532957697.db2.gz NFNNQJZWOLDOKA-UHFFFAOYSA-N 1 0 249.404 3.760 20 0 BHADRO CC(C)([NH2+]C1CCCC1)c1cccs1 ZINC000307745082 323169576 /nfs/dbraw/zinc/16/95/76/323169576.db2.gz QOKISRXNYLMASC-UHFFFAOYSA-N 1 0 209.358 3.515 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000307750376 176212955 /nfs/dbraw/zinc/21/29/55/176212955.db2.gz JSWKMUNTIKEMHR-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000307750377 176233935 /nfs/dbraw/zinc/23/39/35/176233935.db2.gz JSWKMUNTIKEMHR-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000307750378 177193073 /nfs/dbraw/zinc/19/30/73/177193073.db2.gz JSWKMUNTIKEMHR-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000307750379 177205602 /nfs/dbraw/zinc/20/56/02/177205602.db2.gz JSWKMUNTIKEMHR-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO CC1([NH2+]Cc2ccsc2Cl)CCCC1 ZINC000307751927 528032631 /nfs/dbraw/zinc/03/26/31/528032631.db2.gz PTYXYUOXKJALLV-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000307754826 353129722 /nfs/dbraw/zinc/12/97/22/353129722.db2.gz BLICHHCCNMDWOB-UHFFFAOYSA-N 1 0 217.356 3.601 20 0 BHADRO CCc1cc(N[C@@H](C)c2ncc(C)s2)cc[nH+]1 ZINC000307766153 529560177 /nfs/dbraw/zinc/56/01/77/529560177.db2.gz BRGNISRJIOPQRA-JTQLQIEISA-N 1 0 247.367 3.582 20 0 BHADRO CCc1cc(N[C@H](C)c2ncc(C)s2)cc[nH+]1 ZINC000307766154 529561814 /nfs/dbraw/zinc/56/18/14/529561814.db2.gz BRGNISRJIOPQRA-SNVBAGLBSA-N 1 0 247.367 3.582 20 0 BHADRO CCc1cc(N[C@@H](C)c2nc(C)cs2)cc[nH+]1 ZINC000307766986 529560722 /nfs/dbraw/zinc/56/07/22/529560722.db2.gz GKHYHABRJSWXKJ-JTQLQIEISA-N 1 0 247.367 3.582 20 0 BHADRO CCc1cc(N[C@H](C)c2nc(C)cs2)cc[nH+]1 ZINC000307766987 529561919 /nfs/dbraw/zinc/56/19/19/529561919.db2.gz GKHYHABRJSWXKJ-SNVBAGLBSA-N 1 0 247.367 3.582 20 0 BHADRO CCc1cc(N[C@@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000307767858 529559174 /nfs/dbraw/zinc/55/91/74/529559174.db2.gz JGHNKAWWWGJMFJ-NSHDSACASA-N 1 0 242.322 3.523 20 0 BHADRO CCc1cc(NC2CCC(F)(F)CC2)cc[nH+]1 ZINC000307768320 529554191 /nfs/dbraw/zinc/55/41/91/529554191.db2.gz KBTOEIQQFONNTI-UHFFFAOYSA-N 1 0 240.297 3.634 20 0 BHADRO CCc1cc(NCc2cc(C)cs2)cc[nH+]1 ZINC000307777165 385262830 /nfs/dbraw/zinc/26/28/30/385262830.db2.gz VFMUSPXNOFINDA-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CCC(=O)CCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307783943 528287128 /nfs/dbraw/zinc/28/71/28/528287128.db2.gz WYSJKRLXTJDHFZ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(=O)CCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307783947 528288125 /nfs/dbraw/zinc/28/81/25/528288125.db2.gz WYSJKRLXTJDHFZ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000307807962 490354807 /nfs/dbraw/zinc/35/48/07/490354807.db2.gz ILYAOBMJHYNHPJ-AWEZNQCLSA-N 1 0 246.398 3.527 20 0 BHADRO CC(C)(C)C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000307807963 490354865 /nfs/dbraw/zinc/35/48/65/490354865.db2.gz ILYAOBMJHYNHPJ-CQSZACIVSA-N 1 0 246.398 3.527 20 0 BHADRO CCc1cc(NCc2cscc2C)cc[nH+]1 ZINC000307809922 388426197 /nfs/dbraw/zinc/42/61/97/388426197.db2.gz HJZDGCJWDIZKIN-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CCc1cc(N[C@H](C)c2ccccc2)cc[nH+]1 ZINC000307815473 529561959 /nfs/dbraw/zinc/56/19/59/529561959.db2.gz LVVXWSWEUWKSHN-GFCCVEGCSA-N 1 0 226.323 3.817 20 0 BHADRO CCc1cc(N[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000307815475 388427620 /nfs/dbraw/zinc/42/76/20/388427620.db2.gz LVVXWSWEUWKSHN-LBPRGKRZSA-N 1 0 226.323 3.817 20 0 BHADRO CCc1cc(NCc2sccc2C)cc[nH+]1 ZINC000307818368 388428152 /nfs/dbraw/zinc/42/81/52/388428152.db2.gz OHJRUUSXELOZQF-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CCc1cc(NCCCCCSC)cc[nH+]1 ZINC000307819445 529555301 /nfs/dbraw/zinc/55/53/01/529555301.db2.gz OZCWRVFDDLICTD-UHFFFAOYSA-N 1 0 238.400 3.589 20 0 BHADRO CCc1cc(N[C@@H](C)c2ccsc2)cc[nH+]1 ZINC000307826758 411487211 /nfs/dbraw/zinc/48/72/11/411487211.db2.gz XMAOPOPWDKLUPQ-JTQLQIEISA-N 1 0 232.352 3.879 20 0 BHADRO CCc1cc(N[C@H](C)c2ccsc2)cc[nH+]1 ZINC000307826759 411486923 /nfs/dbraw/zinc/48/69/23/411486923.db2.gz XMAOPOPWDKLUPQ-SNVBAGLBSA-N 1 0 232.352 3.879 20 0 BHADRO CCc1cc(NCc2ccc(C)s2)cc[nH+]1 ZINC000307829220 388428117 /nfs/dbraw/zinc/42/81/17/388428117.db2.gz ZHHYVBVEAUSZJM-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)c1cccs1 ZINC000308099448 642365485 /nfs/dbraw/zinc/36/54/85/642365485.db2.gz BBQPOSLIJOJYDC-XTULLQBASA-N 1 0 215.749 3.541 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000308104256 491134760 /nfs/dbraw/zinc/13/47/60/491134760.db2.gz MCSFRAOVNPOHOL-TUUFMJSCSA-N 1 0 215.749 3.628 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000308104257 491134728 /nfs/dbraw/zinc/13/47/28/491134728.db2.gz MCSFRAOVNPOHOL-VEMNSZJBSA-N 1 0 215.749 3.628 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(Cl)s1 ZINC000308108963 642441396 /nfs/dbraw/zinc/44/13/96/642441396.db2.gz SBHGZVIXJSWHHX-BIPIGHIPSA-N 1 0 236.167 3.805 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(Cl)s1 ZINC000308108964 642369688 /nfs/dbraw/zinc/36/96/88/642369688.db2.gz SBHGZVIXJSWHHX-KVFVURRZSA-N 1 0 236.167 3.805 20 0 BHADRO CC(C)CC[NH2+]Cc1ccsc1Cl ZINC000308137668 388432552 /nfs/dbraw/zinc/43/25/52/388432552.db2.gz GHMOTKHTBGOZMI-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CCC[N@H+](CC)Cc1sccc1Cl ZINC000308153185 388432451 /nfs/dbraw/zinc/43/24/51/388432451.db2.gz AGGOVAQHRCKOAX-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CC(C)C[NH2+]Cc1csc(Cl)c1Cl ZINC000308164913 385473262 /nfs/dbraw/zinc/47/32/62/385473262.db2.gz XDQXLJKKMFDLTC-UHFFFAOYSA-N 1 0 238.183 3.801 20 0 BHADRO Clc1scc(C[NH2+]CC2CC2)c1Cl ZINC000308178611 385476929 /nfs/dbraw/zinc/47/69/29/385476929.db2.gz DZBWGXRDNOMROH-UHFFFAOYSA-N 1 0 236.167 3.555 20 0 BHADRO FCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000308183250 259339051 /nfs/dbraw/zinc/33/90/51/259339051.db2.gz HTHOILIODSORDW-UHFFFAOYSA-N 1 0 242.146 3.504 20 0 BHADRO CCC[N@H+](CC)Cc1cscc1Cl ZINC000308208491 491135212 /nfs/dbraw/zinc/13/52/12/491135212.db2.gz DXTRKAICPOEHLI-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CCC(CC)[NH2+]Cc1ccsc1Cl ZINC000308209240 388434017 /nfs/dbraw/zinc/43/40/17/388434017.db2.gz FLYIUJNVFBUCDO-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CCCC[NH+](C/C=C/Cl)CCCC ZINC000308212699 642504306 /nfs/dbraw/zinc/50/43/06/642504306.db2.gz HGQONFUNTBJADV-BQYQJAHWSA-N 1 0 203.757 3.641 20 0 BHADRO CCCC[NH+](C/C=C\Cl)CCCC ZINC000308212700 642504110 /nfs/dbraw/zinc/50/41/10/642504110.db2.gz HGQONFUNTBJADV-FPLPWBNLSA-N 1 0 203.757 3.641 20 0 BHADRO CCC(CC)[N@H+](CC)C/C(Cl)=C/Cl ZINC000308216857 642502716 /nfs/dbraw/zinc/50/27/16/642502716.db2.gz JSCGJVQCDXPJPU-CLFYSBASSA-N 1 0 224.175 3.816 20 0 BHADRO CCC(CC)[N@H+](CC)C/C(Cl)=C\Cl ZINC000308216859 642506452 /nfs/dbraw/zinc/50/64/52/642506452.db2.gz JSCGJVQCDXPJPU-VQHVLOKHSA-N 1 0 224.175 3.816 20 0 BHADRO CCCC[N@H+](C)Cc1ccsc1Cl ZINC000308217465 388433654 /nfs/dbraw/zinc/43/36/54/388433654.db2.gz JXGQQHISYHKTIS-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CC[N@H+](C/C(Cl)=C\Cl)C1CCCC1 ZINC000308246379 631217080 /nfs/dbraw/zinc/21/70/80/631217080.db2.gz WHBLBQCUVRFWNU-VQHVLOKHSA-N 1 0 222.159 3.570 20 0 BHADRO CC(C)C([NH2+]C/C(Cl)=C/Cl)C(C)C ZINC000308278068 631241571 /nfs/dbraw/zinc/24/15/71/631241571.db2.gz VZFGVPXFYVNXNH-UITAMQMPSA-N 1 0 224.175 3.576 20 0 BHADRO CC(C)C([NH2+]C/C(Cl)=C\Cl)C(C)C ZINC000308278070 631240862 /nfs/dbraw/zinc/24/08/62/631240862.db2.gz VZFGVPXFYVNXNH-WEVVVXLNSA-N 1 0 224.175 3.576 20 0 BHADRO CC[C@H](C)[NH+](C/C=C\Cl)C/C=C\Cl ZINC000308301594 631274242 /nfs/dbraw/zinc/27/42/42/631274242.db2.gz MHIHXARDTDGOGB-KOZUUDBGSA-N 1 0 222.159 3.592 20 0 BHADRO CC[C@H](C)[N@H+](C/C=C/Cl)C/C=C\Cl ZINC000308301596 631273301 /nfs/dbraw/zinc/27/33/01/631273301.db2.gz MHIHXARDTDGOGB-LSJSYMQGSA-N 1 0 222.159 3.592 20 0 BHADRO CC[C@H](C)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000308301598 631273478 /nfs/dbraw/zinc/27/34/78/631273478.db2.gz MHIHXARDTDGOGB-RFPIMEFYSA-N 1 0 222.159 3.592 20 0 BHADRO CC[C@@H](C)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000308301600 631273886 /nfs/dbraw/zinc/27/38/86/631273886.db2.gz MHIHXARDTDGOGB-YZABNELQSA-N 1 0 222.159 3.592 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000308313882 384635011 /nfs/dbraw/zinc/63/50/11/384635011.db2.gz TZCVYYJZWDCTII-MRVPVSSYSA-N 1 0 217.765 3.632 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000308313883 171309384 /nfs/dbraw/zinc/30/93/84/171309384.db2.gz TZCVYYJZWDCTII-QMMMGPOBSA-N 1 0 217.765 3.632 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cscc1Cl ZINC000308314975 491136039 /nfs/dbraw/zinc/13/60/39/491136039.db2.gz UVBIMMFRWXDKMI-MRVPVSSYSA-N 1 0 217.765 3.632 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cscc1Cl ZINC000308314976 491136051 /nfs/dbraw/zinc/13/60/51/491136051.db2.gz UVBIMMFRWXDKMI-QMMMGPOBSA-N 1 0 217.765 3.632 20 0 BHADRO CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000308326736 528553528 /nfs/dbraw/zinc/55/35/28/528553528.db2.gz FWBPOHCWPDIIBS-UHFFFAOYSA-N 1 0 238.183 3.945 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000308398977 355421213 /nfs/dbraw/zinc/42/12/13/355421213.db2.gz AMAKTCUMRHYBQA-XOULXFPDSA-N 1 0 209.720 3.567 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccccc1Cl ZINC000308401535 355459661 /nfs/dbraw/zinc/45/96/61/355459661.db2.gz QYBUQMBEVOTNPC-XOULXFPDSA-N 1 0 209.720 3.567 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000308402694 350697160 /nfs/dbraw/zinc/69/71/60/350697160.db2.gz AMAKTCUMRHYBQA-UMBAGQNISA-N 1 0 209.720 3.567 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000308403155 631326023 /nfs/dbraw/zinc/32/60/23/631326023.db2.gz IDVUHLINLDAYRE-MRVPVSSYSA-N 1 0 217.765 3.680 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cscc1Cl ZINC000308403156 631326489 /nfs/dbraw/zinc/32/64/89/631326489.db2.gz IDVUHLINLDAYRE-QMMMGPOBSA-N 1 0 217.765 3.680 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccccc1Cl ZINC000308406548 350697742 /nfs/dbraw/zinc/69/77/42/350697742.db2.gz QYBUQMBEVOTNPC-UMBAGQNISA-N 1 0 209.720 3.567 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC000308407286 631267951 /nfs/dbraw/zinc/26/79/51/631267951.db2.gz AVJWDROXTIUZLY-HJLXKUKWSA-N 1 0 215.768 3.543 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000308407289 631324743 /nfs/dbraw/zinc/32/47/43/631324743.db2.gz AVJWDROXTIUZLY-MUDVKMOPSA-N 1 0 215.768 3.543 20 0 BHADRO CCCCN(C/C(Cl)=C/Cl)C1CC1 ZINC000308414825 631329515 /nfs/dbraw/zinc/32/95/15/631329515.db2.gz MXWJSBXNPONULC-CLFYSBASSA-N 1 0 222.159 3.570 20 0 BHADRO CCCCN(C/C(Cl)=C\Cl)C1CC1 ZINC000308414827 631328711 /nfs/dbraw/zinc/32/87/11/631328711.db2.gz MXWJSBXNPONULC-VQHVLOKHSA-N 1 0 222.159 3.570 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000308415488 631276354 /nfs/dbraw/zinc/27/63/54/631276354.db2.gz IBCAHRLRSZDVNK-OJIASSBASA-N 1 0 215.768 3.687 20 0 BHADRO CC[C@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000308415489 631328196 /nfs/dbraw/zinc/32/81/96/631328196.db2.gz IBCAHRLRSZDVNK-PWWFUAJNSA-N 1 0 215.768 3.687 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308426275 491136060 /nfs/dbraw/zinc/13/60/60/491136060.db2.gz RKNRVIUVJLIHFD-MRVPVSSYSA-N 1 0 217.765 3.680 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308426276 491136034 /nfs/dbraw/zinc/13/60/34/491136034.db2.gz RKNRVIUVJLIHFD-QMMMGPOBSA-N 1 0 217.765 3.680 20 0 BHADRO C[N@H+](C/C(Cl)=C\Cl)C1CCCCC1 ZINC000308433277 631331641 /nfs/dbraw/zinc/33/16/41/631331641.db2.gz UUMHDHFESAADNC-VQHVLOKHSA-N 1 0 222.159 3.570 20 0 BHADRO C[C@H]([NH2+]CCCCCF)c1ccsc1 ZINC000308450626 491136383 /nfs/dbraw/zinc/13/63/83/491136383.db2.gz CDEKOQPMJSGTBE-JTQLQIEISA-N 1 0 215.337 3.539 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)c1ccsc1 ZINC000308450627 491136384 /nfs/dbraw/zinc/13/63/84/491136384.db2.gz CDEKOQPMJSGTBE-SNVBAGLBSA-N 1 0 215.337 3.539 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCCCF ZINC000308467868 533811616 /nfs/dbraw/zinc/81/16/16/533811616.db2.gz GVGCXFJMVCOLDV-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCCCF ZINC000308467869 533520145 /nfs/dbraw/zinc/52/01/45/533520145.db2.gz GVGCXFJMVCOLDV-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCCCF ZINC000308467999 384730596 /nfs/dbraw/zinc/73/05/96/384730596.db2.gz AOEAYHKIHDWGEN-UHFFFAOYSA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](CC)c1cccs1 ZINC000308472473 529554245 /nfs/dbraw/zinc/55/42/45/529554245.db2.gz ADHZTACTPHYLLP-NXEZZACHSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](CC)c1cccs1 ZINC000308472475 529438767 /nfs/dbraw/zinc/43/87/67/529438767.db2.gz ADHZTACTPHYLLP-UWVGGRQHSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](F)CC)c1cccs1 ZINC000308472477 529173186 /nfs/dbraw/zinc/17/31/86/529173186.db2.gz ADHZTACTPHYLLP-VHSXEESVSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](CC)c1cccs1 ZINC000308472478 529553083 /nfs/dbraw/zinc/55/30/83/529553083.db2.gz ADHZTACTPHYLLP-ZJUUUORDSA-N 1 0 215.337 3.537 20 0 BHADRO CC(C)C([NH2+]Cc1ccsc1)C(C)C ZINC000308474279 631356187 /nfs/dbraw/zinc/35/61/87/631356187.db2.gz KLBIAVXYUWRTKI-UHFFFAOYSA-N 1 0 211.374 3.518 20 0 BHADRO CC(C)([NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC000308479471 409752145 /nfs/dbraw/zinc/75/21/45/409752145.db2.gz KYDMZXZCLTXIJK-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CCCCCC[NH2+]Cc1csc(C)c1 ZINC000308480560 631391808 /nfs/dbraw/zinc/39/18/08/631391808.db2.gz GUJKGBZTKDDZSS-UHFFFAOYSA-N 1 0 211.374 3.726 20 0 BHADRO CC[NH+](CC)Cc1cc(Cl)ccc1Cl ZINC000308486032 528186582 /nfs/dbraw/zinc/18/65/82/528186582.db2.gz OIAUZTVBHSESTN-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000308488390 529553230 /nfs/dbraw/zinc/55/32/30/529553230.db2.gz ASKVLJIBWWSIMZ-JGVFFNPUSA-N 1 0 235.755 3.800 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000308488392 529437849 /nfs/dbraw/zinc/43/78/49/529437849.db2.gz ASKVLJIBWWSIMZ-YUMQZZPRSA-N 1 0 235.755 3.800 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000308489061 528803801 /nfs/dbraw/zinc/80/38/01/528803801.db2.gz AWZUTTCLFGAWDN-LLVKDONJSA-N 1 0 217.422 3.542 20 0 BHADRO CCC(CC)[NH2+]C[C@H](SC)C(C)(C)C ZINC000308489062 528804148 /nfs/dbraw/zinc/80/41/48/528804148.db2.gz AWZUTTCLFGAWDN-NSHDSACASA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000308490147 631401774 /nfs/dbraw/zinc/40/17/74/631401774.db2.gz BIIRQKCLFRADGO-SECBINFHSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cscc1Cl ZINC000308490149 631401319 /nfs/dbraw/zinc/40/13/19/631401319.db2.gz BIIRQKCLFRADGO-VIFPVBQESA-N 1 0 231.792 3.926 20 0 BHADRO CCC1(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000308494212 386430531 /nfs/dbraw/zinc/43/05/31/386430531.db2.gz CRMSXCYBDCMINT-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC1(C[NH2+]Cc2ccsc2Cl)CCC1 ZINC000308495794 168044500 /nfs/dbraw/zinc/04/45/00/168044500.db2.gz ACNCYYOMNBFRJS-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308496556 388440398 /nfs/dbraw/zinc/44/03/98/388440398.db2.gz TUNOBRNHWXHYRJ-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308496557 388440506 /nfs/dbraw/zinc/44/05/06/388440506.db2.gz TUNOBRNHWXHYRJ-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308496558 533781587 /nfs/dbraw/zinc/78/15/87/533781587.db2.gz TUNOBRNHWXHYRJ-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308496559 388440422 /nfs/dbraw/zinc/44/04/22/388440422.db2.gz TUNOBRNHWXHYRJ-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(Cl)cs1 ZINC000308501726 363071762 /nfs/dbraw/zinc/07/17/62/363071762.db2.gz GZPZCEHGLRBPAZ-UHFFFAOYSA-N 1 0 229.776 3.847 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000308502118 347725814 /nfs/dbraw/zinc/72/58/14/347725814.db2.gz HCPVKPAHJIDQJA-UHFFFAOYSA-N 1 0 231.792 3.926 20 0 BHADRO CCSCC[NH2+]CC(CC)(CC)CC ZINC000308503317 384768825 /nfs/dbraw/zinc/76/88/25/384768825.db2.gz HPVVIYBRFGNPFV-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO CC(C)CCC[NH2+]Cc1cscc1Cl ZINC000308507030 631320743 /nfs/dbraw/zinc/32/07/43/631320743.db2.gz JCYIVPGXHOTOGJ-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)([NH2+]Cc1cscc1Cl)C1CC1 ZINC000308509929 491136709 /nfs/dbraw/zinc/13/67/09/491136709.db2.gz KLBQQUDYLPZSHY-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1cscc1Cl)C(C)(C)C ZINC000308509969 631322815 /nfs/dbraw/zinc/32/28/15/631322815.db2.gz KLUSPRQEIFRHLB-MRVPVSSYSA-N 1 0 231.792 3.926 20 0 BHADRO C[C@H]([NH2+]Cc1cscc1Cl)C(C)(C)C ZINC000308509971 631410109 /nfs/dbraw/zinc/41/01/09/631410109.db2.gz KLUSPRQEIFRHLB-QMMMGPOBSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccsc1Cl ZINC000308517450 370140460 /nfs/dbraw/zinc/14/04/60/370140460.db2.gz NHWCKITZAHGXAD-UHFFFAOYSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(Cl)s1 ZINC000308518244 388441125 /nfs/dbraw/zinc/44/11/25/388441125.db2.gz NQYMFLFTRUBTMH-UHFFFAOYSA-N 1 0 229.776 3.847 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H](C)CF ZINC000308520476 491106171 /nfs/dbraw/zinc/10/61/71/491106171.db2.gz RSAVHLBALOGXGT-NWDGAFQWSA-N 1 0 203.345 3.541 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)CF ZINC000308520478 491106262 /nfs/dbraw/zinc/10/62/62/491106262.db2.gz RSAVHLBALOGXGT-RYUDHWBXSA-N 1 0 203.345 3.541 20 0 BHADRO Clc1sccc1C[NH2+]Cc1cccs1 ZINC000308522029 384774845 /nfs/dbraw/zinc/77/48/45/384774845.db2.gz UERXATOPDGVBGT-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO CC[NH+](CC)Cc1cccc(Cl)c1Cl ZINC000308522489 528195926 /nfs/dbraw/zinc/19/59/26/528195926.db2.gz YTBJCQGIECBNFE-UHFFFAOYSA-N 1 0 232.154 3.835 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1Cl)C1(C)CC1 ZINC000308527065 631326253 /nfs/dbraw/zinc/32/62/53/631326253.db2.gz QWHZEXNKPXGRRA-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1Cl)C1(C)CC1 ZINC000308527067 631326960 /nfs/dbraw/zinc/32/69/60/631326960.db2.gz QWHZEXNKPXGRRA-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cscc1Cl ZINC000308529660 491136905 /nfs/dbraw/zinc/13/69/05/491136905.db2.gz RJQNXUQWPCVHPO-UHFFFAOYSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccs1 ZINC000308530159 256799048 /nfs/dbraw/zinc/79/90/48/256799048.db2.gz KLIYXELIJGZCCW-DCAQKATOSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccs1 ZINC000308530160 256798966 /nfs/dbraw/zinc/79/89/66/256798966.db2.gz KLIYXELIJGZCCW-GARJFASQSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccs1 ZINC000308530161 388441390 /nfs/dbraw/zinc/44/13/90/388441390.db2.gz KLIYXELIJGZCCW-OUAUKWLOSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccs1 ZINC000308530162 388441187 /nfs/dbraw/zinc/44/11/87/388441187.db2.gz KLIYXELIJGZCCW-VWYCJHECSA-N 1 0 209.358 3.587 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1cccs1 ZINC000308531521 384784286 /nfs/dbraw/zinc/78/42/86/384784286.db2.gz RTIXZNCQTDNMTP-UHFFFAOYSA-N 1 0 209.358 3.539 20 0 BHADRO CCSCC[NH2+][C@H](C)CCC(C)(C)C ZINC000308532129 388442043 /nfs/dbraw/zinc/44/20/43/388442043.db2.gz LCUXPZCNGSAGEZ-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308532130 388441705 /nfs/dbraw/zinc/44/17/05/388441705.db2.gz LCUXPZCNGSAGEZ-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1csc(C)c1 ZINC000308536051 388441833 /nfs/dbraw/zinc/44/18/33/388441833.db2.gz MELUVXHEZSPQLX-GFCCVEGCSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1csc(C)c1 ZINC000308536053 388441887 /nfs/dbraw/zinc/44/18/87/388441887.db2.gz MELUVXHEZSPQLX-LBPRGKRZSA-N 1 0 211.374 3.725 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)C)cs1 ZINC000308537028 178021101 /nfs/dbraw/zinc/02/11/01/178021101.db2.gz MNMORYPPMNIYND-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccccc1 ZINC000308538084 388441581 /nfs/dbraw/zinc/44/15/81/388441581.db2.gz HDCZYIRHRMGYAN-CYBMUJFWSA-N 1 0 235.371 3.542 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccccc1 ZINC000308538085 388441647 /nfs/dbraw/zinc/44/16/47/388441647.db2.gz HDCZYIRHRMGYAN-ZDUSSCGKSA-N 1 0 235.371 3.542 20 0 BHADRO Clc1ccc(CC[NH2+][C@H]2CC=CCC2)cc1 ZINC000308538357 388441865 /nfs/dbraw/zinc/44/18/65/388441865.db2.gz SMOQDCJXLWVHBG-AWEZNQCLSA-N 1 0 235.758 3.581 20 0 BHADRO Clc1ccc(CC[NH2+][C@@H]2CC=CCC2)cc1 ZINC000308538366 388441611 /nfs/dbraw/zinc/44/16/11/388441611.db2.gz SMOQDCJXLWVHBG-CQSZACIVSA-N 1 0 235.758 3.581 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccsc1Cl ZINC000308539384 388441614 /nfs/dbraw/zinc/44/16/14/388441614.db2.gz UEZCBXCLIJEOPE-SECBINFHSA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccsc1Cl ZINC000308539385 388442062 /nfs/dbraw/zinc/44/20/62/388442062.db2.gz UEZCBXCLIJEOPE-VIFPVBQESA-N 1 0 231.792 3.783 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cscc1Cl ZINC000308540008 631329837 /nfs/dbraw/zinc/32/98/37/631329837.db2.gz UKQWVSVEZLKMFY-BDAKNGLRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000308540011 631421870 /nfs/dbraw/zinc/42/18/70/631421870.db2.gz UKQWVSVEZLKMFY-DTWKUNHWSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cscc1Cl ZINC000308540014 631421395 /nfs/dbraw/zinc/42/13/95/631421395.db2.gz UKQWVSVEZLKMFY-IUCAKERBSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000308540017 631421110 /nfs/dbraw/zinc/42/11/10/631421110.db2.gz UKQWVSVEZLKMFY-RKDXNWHRSA-N 1 0 231.792 3.926 20 0 BHADRO CC(F)(F)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000308540574 528730346 /nfs/dbraw/zinc/73/03/46/528730346.db2.gz TWQKLRDHEHLGQI-UHFFFAOYSA-N 1 0 247.716 3.517 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCCCF ZINC000308543178 631421927 /nfs/dbraw/zinc/42/19/27/631421927.db2.gz OPXOGYDBWRQEDB-GFCCVEGCSA-N 1 0 203.345 3.685 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCCCF ZINC000308543182 631421648 /nfs/dbraw/zinc/42/16/48/631421648.db2.gz OPXOGYDBWRQEDB-LBPRGKRZSA-N 1 0 203.345 3.685 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1csc(Cl)c1 ZINC000308544995 384799047 /nfs/dbraw/zinc/79/90/47/384799047.db2.gz VHYFNPOJDSVFSP-MRVPVSSYSA-N 1 0 235.755 3.802 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1csc(Cl)c1 ZINC000308544996 386551730 /nfs/dbraw/zinc/55/17/30/386551730.db2.gz VHYFNPOJDSVFSP-QMMMGPOBSA-N 1 0 235.755 3.802 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccsc1 ZINC000308551802 388442650 /nfs/dbraw/zinc/44/26/50/388442650.db2.gz YHEBJEFIGQJYSX-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccsc1 ZINC000308551807 388442763 /nfs/dbraw/zinc/44/27/63/388442763.db2.gz YHEBJEFIGQJYSX-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO C[C@@H]([NH2+]Cc1cscc1Cl)C1CCC1 ZINC000308554005 631421830 /nfs/dbraw/zinc/42/18/30/631421830.db2.gz YRAYLOOGXGJGPU-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1cscc1Cl)C1CCC1 ZINC000308554007 631421488 /nfs/dbraw/zinc/42/14/88/631421488.db2.gz YRAYLOOGXGJGPU-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccsc1C ZINC000308554692 388442686 /nfs/dbraw/zinc/44/26/86/388442686.db2.gz UNPASDBCQWIGCZ-GFCCVEGCSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccsc1C ZINC000308554693 388442554 /nfs/dbraw/zinc/44/25/54/388442554.db2.gz UNPASDBCQWIGCZ-LBPRGKRZSA-N 1 0 211.374 3.725 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCCCF ZINC000308554937 388442862 /nfs/dbraw/zinc/44/28/62/388442862.db2.gz ZGBCLNKQINHMTE-NEPJUHHUSA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCCCF ZINC000308554938 388442437 /nfs/dbraw/zinc/44/24/37/388442437.db2.gz ZGBCLNKQINHMTE-NWDGAFQWSA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCCCF ZINC000308554939 529683714 /nfs/dbraw/zinc/68/37/14/529683714.db2.gz ZGBCLNKQINHMTE-RYUDHWBXSA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCCF ZINC000308554940 388442874 /nfs/dbraw/zinc/44/28/74/388442874.db2.gz ZGBCLNKQINHMTE-VXGBXAGGSA-N 1 0 203.345 3.541 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCCCF ZINC000308556101 388442759 /nfs/dbraw/zinc/44/27/59/388442759.db2.gz SHWVQTJTYFGBDX-UHFFFAOYSA-N 1 0 203.345 3.685 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(Cl)s1 ZINC000308557435 388442657 /nfs/dbraw/zinc/44/26/57/388442657.db2.gz UWXGREYUUUDTHW-MRVPVSSYSA-N 1 0 235.755 3.802 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(Cl)s1 ZINC000308557437 388442910 /nfs/dbraw/zinc/44/29/10/388442910.db2.gz UWXGREYUUUDTHW-QMMMGPOBSA-N 1 0 235.755 3.802 20 0 BHADRO CCCC(CCC)[NH2+]CCSC(C)C ZINC000308558634 388442020 /nfs/dbraw/zinc/44/20/20/388442020.db2.gz VVMCESXFBWPRKT-UHFFFAOYSA-N 1 0 217.422 3.686 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)cs1 ZINC000308559973 178028763 /nfs/dbraw/zinc/02/87/63/178028763.db2.gz WREVBOMLRGZMBK-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)cs1 ZINC000308559974 353115422 /nfs/dbraw/zinc/11/54/22/353115422.db2.gz WREVBOMLRGZMBK-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)cs1 ZINC000308562473 346883732 /nfs/dbraw/zinc/88/37/32/346883732.db2.gz YHYJMUMJOJFLOO-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000308566230 529553687 /nfs/dbraw/zinc/55/36/87/529553687.db2.gz ASKVLJIBWWSIMZ-HTQZYQBOSA-N 1 0 235.755 3.800 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000308566231 388443339 /nfs/dbraw/zinc/44/33/39/388443339.db2.gz ASKVLJIBWWSIMZ-SFYZADRCSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H]([NH2+]Cc1sccc1Cl)C1CCC1 ZINC000308575298 491137229 /nfs/dbraw/zinc/13/72/29/491137229.db2.gz HDRDTUDHIBHCHL-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1sccc1Cl)C1CCC1 ZINC000308575299 491137214 /nfs/dbraw/zinc/13/72/14/491137214.db2.gz HDRDTUDHIBHCHL-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO Clc1ccsc1C[NH2+]CC1CCCC1 ZINC000308579047 229436676 /nfs/dbraw/zinc/43/66/76/229436676.db2.gz IUFGUZTZRYEOEK-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)CC(C)(C)C ZINC000308580063 388443431 /nfs/dbraw/zinc/44/34/31/388443431.db2.gz GFAPCZYXTQUMSF-JTQLQIEISA-N 1 0 203.345 3.539 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)CC(C)(C)C ZINC000308580064 529553285 /nfs/dbraw/zinc/55/32/85/529553285.db2.gz GFAPCZYXTQUMSF-SNVBAGLBSA-N 1 0 203.345 3.539 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000308582527 388444366 /nfs/dbraw/zinc/44/43/66/388444366.db2.gz HEFQRYRXGKVDBU-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)SC ZINC000308582528 388444135 /nfs/dbraw/zinc/44/41/35/388444135.db2.gz HEFQRYRXGKVDBU-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)SC ZINC000308582529 388444375 /nfs/dbraw/zinc/44/43/75/388444375.db2.gz HEFQRYRXGKVDBU-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)SC ZINC000308582530 528896408 /nfs/dbraw/zinc/89/64/08/528896408.db2.gz HEFQRYRXGKVDBU-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308584926 388444078 /nfs/dbraw/zinc/44/40/78/388444078.db2.gz HYZUUKRCDJSNAF-BDAKNGLRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308584927 388444179 /nfs/dbraw/zinc/44/41/79/388444179.db2.gz HYZUUKRCDJSNAF-DTWKUNHWSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308584928 388444020 /nfs/dbraw/zinc/44/40/20/388444020.db2.gz HYZUUKRCDJSNAF-IUCAKERBSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308584929 388444138 /nfs/dbraw/zinc/44/41/38/388444138.db2.gz HYZUUKRCDJSNAF-RKDXNWHRSA-N 1 0 231.792 3.926 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1cccs1 ZINC000308585928 388444340 /nfs/dbraw/zinc/44/43/40/388444340.db2.gz IHVNAEBXGRIYSS-UHFFFAOYSA-N 1 0 211.374 3.763 20 0 BHADRO CC[C@@H]([NH2+]CCSC(C)(C)C)C(C)C ZINC000308586883 631434214 /nfs/dbraw/zinc/43/42/14/631434214.db2.gz MSGNNXULZBEXRL-LLVKDONJSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H]([NH2+]CCSC(C)(C)C)C(C)C ZINC000308586884 631434233 /nfs/dbraw/zinc/43/42/33/631434233.db2.gz MSGNNXULZBEXRL-NSHDSACASA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccsc1 ZINC000308588372 527619458 /nfs/dbraw/zinc/61/94/58/527619458.db2.gz UAFLXVCVGZOCTM-UHFFFAOYSA-N 1 0 211.374 3.662 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1cscc1Cl ZINC000308594615 491137313 /nfs/dbraw/zinc/13/73/13/491137313.db2.gz XUJZGVSIKGRYIU-SECBINFHSA-N 1 0 229.776 3.537 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1cscc1Cl ZINC000308594616 491137324 /nfs/dbraw/zinc/13/73/24/491137324.db2.gz XUJZGVSIKGRYIU-VIFPVBQESA-N 1 0 229.776 3.537 20 0 BHADRO CCC(CC)C[NH2+]Cc1sccc1Cl ZINC000308594751 491074450 /nfs/dbraw/zinc/07/44/50/491074450.db2.gz RCFIKSXRNDDIGM-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)SCC[NH2+]Cc1cc(Cl)cs1 ZINC000308598157 167330599 /nfs/dbraw/zinc/33/05/99/167330599.db2.gz NJVPFGVVUYMUAJ-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO Clc1ccsc1C[NH2+]CCCC1CC1 ZINC000308611808 346892851 /nfs/dbraw/zinc/89/28/51/346892851.db2.gz YPRKSBGLCHYABI-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCSCCC[NH2+]Cc1ccsc1Cl ZINC000308614768 384869554 /nfs/dbraw/zinc/86/95/54/384869554.db2.gz ROKDSTARLVFWGM-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000308615136 528268077 /nfs/dbraw/zinc/26/80/77/528268077.db2.gz ZSMFSPSMPDABRG-SECBINFHSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC000308615137 528475348 /nfs/dbraw/zinc/47/53/48/528475348.db2.gz ZSMFSPSMPDABRG-VIFPVBQESA-N 1 0 231.792 3.926 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCSC(C)C ZINC000308617666 384869092 /nfs/dbraw/zinc/86/90/92/384869092.db2.gz SFPPOVQFCCJJSR-GFCCVEGCSA-N 1 0 217.422 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCSC(C)C ZINC000308617673 528914348 /nfs/dbraw/zinc/91/43/48/528914348.db2.gz SFPPOVQFCCJJSR-LBPRGKRZSA-N 1 0 217.422 3.686 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2cccs2)C1 ZINC000308622526 527822734 /nfs/dbraw/zinc/82/27/34/527822734.db2.gz URIKKDZEDCSXAO-KPPDAEKUSA-N 1 0 209.358 3.587 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2cccs2)C1 ZINC000308622528 527823820 /nfs/dbraw/zinc/82/38/20/527823820.db2.gz URIKKDZEDCSXAO-WHXUTIOJSA-N 1 0 209.358 3.587 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccsc1Cl ZINC000308623441 384872973 /nfs/dbraw/zinc/87/29/73/384872973.db2.gz UWQHZKSKBYBAQA-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000308625252 388444946 /nfs/dbraw/zinc/44/49/46/388444946.db2.gz VRZWLIQJDISEKH-UHFFFAOYSA-N 1 0 236.117 3.632 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCSC ZINC000308626554 388445430 /nfs/dbraw/zinc/44/54/30/388445430.db2.gz WUZMJUWXJFUJCN-NEPJUHHUSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCSC ZINC000308626555 388444886 /nfs/dbraw/zinc/44/48/86/388444886.db2.gz WUZMJUWXJFUJCN-NWDGAFQWSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCSC ZINC000308626556 388445480 /nfs/dbraw/zinc/44/54/80/388445480.db2.gz WUZMJUWXJFUJCN-RYUDHWBXSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCSC ZINC000308626557 388444583 /nfs/dbraw/zinc/44/45/83/388444583.db2.gz WUZMJUWXJFUJCN-VXGBXAGGSA-N 1 0 217.422 3.544 20 0 BHADRO CCCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000308627960 631444093 /nfs/dbraw/zinc/44/40/93/631444093.db2.gz XOEYUCVUSSPYGZ-LLVKDONJSA-N 1 0 217.422 3.686 20 0 BHADRO CCCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000308627961 631445661 /nfs/dbraw/zinc/44/56/61/631445661.db2.gz XOEYUCVUSSPYGZ-NSHDSACASA-N 1 0 217.422 3.686 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1cccs1 ZINC000308629208 388446044 /nfs/dbraw/zinc/44/60/44/388446044.db2.gz YGGLWUCJHZOYOC-JTQLQIEISA-N 1 0 211.374 3.619 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1cccs1 ZINC000308629211 388445737 /nfs/dbraw/zinc/44/57/37/388445737.db2.gz YGGLWUCJHZOYOC-SNVBAGLBSA-N 1 0 211.374 3.619 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscc1Cl)C(C)C ZINC000308629593 631443770 /nfs/dbraw/zinc/44/37/70/631443770.db2.gz YJQQFZUBXRCWMM-LLVKDONJSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1Cl)C(C)C ZINC000308629596 631445519 /nfs/dbraw/zinc/44/55/19/631445519.db2.gz YJQQFZUBXRCWMM-NSHDSACASA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCOC(C)(C)C)C1CC1 ZINC000308633618 347942379 /nfs/dbraw/zinc/94/23/79/347942379.db2.gz ADJPDOFBXHTWOQ-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCOC(C)(C)C)C1CC1 ZINC000308633622 347943442 /nfs/dbraw/zinc/94/34/42/347943442.db2.gz ADJPDOFBXHTWOQ-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccsc1Cl ZINC000308642996 384887243 /nfs/dbraw/zinc/88/72/43/384887243.db2.gz FUXRDOKROGCUNY-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccsc1C ZINC000308646280 409899676 /nfs/dbraw/zinc/89/96/76/409899676.db2.gz HOILINYZIYARQZ-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC(C)=CCC[NH2+]Cc1sccc1Cl ZINC000308647315 388447244 /nfs/dbraw/zinc/44/72/44/388447244.db2.gz IIICJTHHSOZADG-UHFFFAOYSA-N 1 0 229.776 3.847 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccsc1C ZINC000308650362 168311086 /nfs/dbraw/zinc/31/10/86/168311086.db2.gz JTRRNAKSDSGSSW-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CC1(CC[NH2+]Cc2cscc2Cl)CC1 ZINC000308651941 491137674 /nfs/dbraw/zinc/13/76/74/491137674.db2.gz LBXQVQDZLJIBJD-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)=CCC[NH2+]Cc1sccc1C ZINC000308652747 527407137 /nfs/dbraw/zinc/40/71/37/527407137.db2.gz LXEIYGPRVRFCFA-UHFFFAOYSA-N 1 0 209.358 3.502 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000308653096 229238753 /nfs/dbraw/zinc/23/87/53/229238753.db2.gz MDGNHXAMKVLKBH-HTQZYQBOSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(Cl)s1 ZINC000308653097 229238742 /nfs/dbraw/zinc/23/87/42/229238742.db2.gz MDGNHXAMKVLKBH-JGVFFNPUSA-N 1 0 235.755 3.800 20 0 BHADRO CC1(CC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000308654172 168021024 /nfs/dbraw/zinc/02/10/24/168021024.db2.gz MYVOMUKGVPTGMV-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO C[C@H](F)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000308654420 229238512 /nfs/dbraw/zinc/23/85/12/229238512.db2.gz NCPICQOCVWEUTR-JTQLQIEISA-N 1 0 203.345 3.539 20 0 BHADRO C[C@@H](F)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000308654421 229238381 /nfs/dbraw/zinc/23/83/81/229238381.db2.gz NCPICQOCVWEUTR-SNVBAGLBSA-N 1 0 203.345 3.539 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccsc1C ZINC000308655767 168281882 /nfs/dbraw/zinc/28/18/82/168281882.db2.gz NMGQSXNCWDIMSQ-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC1(CC[NH2+]Cc2sccc2Cl)CC1 ZINC000308665117 168020649 /nfs/dbraw/zinc/02/06/49/168020649.db2.gz SAZUKZVTXOANPH-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1sccc1Cl ZINC000308673379 348027835 /nfs/dbraw/zinc/02/78/35/348027835.db2.gz VOLPDVIPRNWXTH-UHFFFAOYSA-N 1 0 231.792 3.926 20 0 BHADRO CC1(C[NH2+]Cc2cscc2Cl)CCC1 ZINC000308676294 631482644 /nfs/dbraw/zinc/48/26/44/631482644.db2.gz WHAXNMSFRBCEJA-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[Si](C)(C)C)s1 ZINC000308678294 631350355 /nfs/dbraw/zinc/35/03/55/631350355.db2.gz WXEPQSJMQGFDAH-JTQLQIEISA-N 1 0 227.449 3.585 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[Si](C)(C)C)s1 ZINC000308678295 631351254 /nfs/dbraw/zinc/35/12/54/631351254.db2.gz WXEPQSJMQGFDAH-SNVBAGLBSA-N 1 0 227.449 3.585 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)c2ccccc21 ZINC000308694460 323176928 /nfs/dbraw/zinc/17/69/28/323176928.db2.gz OQFGVUUBPLHGKQ-DOMZBBRYSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)c2ccccc21 ZINC000308694931 323176888 /nfs/dbraw/zinc/17/68/88/323176888.db2.gz OQFGVUUBPLHGKQ-IUODEOHRSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)c2ccccc21 ZINC000308694935 323176987 /nfs/dbraw/zinc/17/69/87/323176987.db2.gz OQFGVUUBPLHGKQ-SWLSCSKDSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)c2ccccc21 ZINC000308694939 323176909 /nfs/dbraw/zinc/17/69/09/323176909.db2.gz OQFGVUUBPLHGKQ-WFASDCNBSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C)n1 ZINC000308697130 388447804 /nfs/dbraw/zinc/44/78/04/388447804.db2.gz GDCYJLPQHZYLAC-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C)n1 ZINC000308697131 388447969 /nfs/dbraw/zinc/44/79/69/388447969.db2.gz GDCYJLPQHZYLAC-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C)n1 ZINC000308697133 388447895 /nfs/dbraw/zinc/44/78/95/388447895.db2.gz GDCYJLPQHZYLAC-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)n1 ZINC000308697137 388448062 /nfs/dbraw/zinc/44/80/62/388448062.db2.gz GDCYJLPQHZYLAC-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCCCF ZINC000308697264 229442726 /nfs/dbraw/zinc/44/27/26/229442726.db2.gz NRXTXTPNBJFUIL-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCCCF ZINC000308697267 384929838 /nfs/dbraw/zinc/92/98/38/384929838.db2.gz NRXTXTPNBJFUIL-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCCCF ZINC000308697270 388448026 /nfs/dbraw/zinc/44/80/26/388448026.db2.gz NRXTXTPNBJFUIL-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCCCF ZINC000308697272 229442379 /nfs/dbraw/zinc/44/23/79/229442379.db2.gz NRXTXTPNBJFUIL-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCOC(C)(C)C)cs1 ZINC000308697411 370150985 /nfs/dbraw/zinc/15/09/85/370150985.db2.gz SLKQPPGUZQEKNZ-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCOC(C)(C)C)cs1 ZINC000308697412 370151035 /nfs/dbraw/zinc/15/10/35/370151035.db2.gz SLKQPPGUZQEKNZ-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO Cc1cnc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)s1 ZINC000308703305 388448349 /nfs/dbraw/zinc/44/83/49/388448349.db2.gz CLIGWQVJHOHTQP-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@]2(C)CCCC[C@@H]2C)s1 ZINC000308703307 388448435 /nfs/dbraw/zinc/44/84/35/388448435.db2.gz CLIGWQVJHOHTQP-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@@]2(C)CCCC[C@H]2C)s1 ZINC000308703310 229245052 /nfs/dbraw/zinc/24/50/52/229245052.db2.gz CLIGWQVJHOHTQP-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@]2(C)CCCC[C@H]2C)s1 ZINC000308703312 229244607 /nfs/dbraw/zinc/24/46/07/229244607.db2.gz CLIGWQVJHOHTQP-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)n1 ZINC000308706428 388448386 /nfs/dbraw/zinc/44/83/86/388448386.db2.gz HRSQCSFFIHBUHX-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@]2(C)CCCC[C@@H]2C)n1 ZINC000308706429 388448321 /nfs/dbraw/zinc/44/83/21/388448321.db2.gz HRSQCSFFIHBUHX-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@@]2(C)CCCC[C@H]2C)n1 ZINC000308706430 388448415 /nfs/dbraw/zinc/44/84/15/388448415.db2.gz HRSQCSFFIHBUHX-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1csc(C[NH2+][C@]2(C)CCCC[C@H]2C)n1 ZINC000308706431 388448541 /nfs/dbraw/zinc/44/85/41/388448541.db2.gz HRSQCSFFIHBUHX-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)s1 ZINC000308707128 534744970 /nfs/dbraw/zinc/74/49/70/534744970.db2.gz JDVMIISTNZUOOO-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@]2(C)CCCC[C@@H]2C)s1 ZINC000308707131 534745749 /nfs/dbraw/zinc/74/57/49/534745749.db2.gz JDVMIISTNZUOOO-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@@]2(C)CCCC[C@H]2C)s1 ZINC000308707135 534744436 /nfs/dbraw/zinc/74/44/36/534744436.db2.gz JDVMIISTNZUOOO-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncc(C[NH2+][C@]2(C)CCCC[C@H]2C)s1 ZINC000308707138 534745819 /nfs/dbraw/zinc/74/58/19/534745819.db2.gz JDVMIISTNZUOOO-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)C(C)(C)C ZINC000308708776 259670525 /nfs/dbraw/zinc/67/05/25/259670525.db2.gz XQKCPIKBZBDHLR-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C(Cl)=C\Cl ZINC000308711046 342863405 /nfs/dbraw/zinc/86/34/05/342863405.db2.gz OHRSRYAPQJUIKG-DHJNVWGISA-N 1 0 236.186 3.864 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]C/C(Cl)=C\Cl ZINC000308711047 342863484 /nfs/dbraw/zinc/86/34/84/342863484.db2.gz OHRSRYAPQJUIKG-LCIINNLCSA-N 1 0 236.186 3.864 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CSC ZINC000308713668 528070002 /nfs/dbraw/zinc/07/00/02/528070002.db2.gz AFQIAEIJVLGZQJ-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CSC ZINC000308713670 528069114 /nfs/dbraw/zinc/06/91/14/528069114.db2.gz AFQIAEIJVLGZQJ-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CSC ZINC000308713672 528077304 /nfs/dbraw/zinc/07/73/04/528077304.db2.gz AFQIAEIJVLGZQJ-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CSC ZINC000308713673 528076979 /nfs/dbraw/zinc/07/69/79/528076979.db2.gz AFQIAEIJVLGZQJ-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)n1cc(C[NH2+][C@]2(C)CCCC[C@@H]2C)cn1 ZINC000308714625 528567516 /nfs/dbraw/zinc/56/75/16/528567516.db2.gz NHUXEWDDPYCRAM-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C)cn1 ZINC000308714627 528566480 /nfs/dbraw/zinc/56/64/80/528566480.db2.gz NHUXEWDDPYCRAM-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@]2(C)CCCC[C@H]2C)cn1 ZINC000308714628 528568218 /nfs/dbraw/zinc/56/82/18/528568218.db2.gz NHUXEWDDPYCRAM-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)cn1 ZINC000308714629 528566848 /nfs/dbraw/zinc/56/68/48/528566848.db2.gz NHUXEWDDPYCRAM-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ncsc1C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308714735 229244185 /nfs/dbraw/zinc/24/41/85/229244185.db2.gz NXFDIXHXADFKDE-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308714736 229244516 /nfs/dbraw/zinc/24/45/16/229244516.db2.gz NXFDIXHXADFKDE-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308714737 229244305 /nfs/dbraw/zinc/24/43/05/229244305.db2.gz NXFDIXHXADFKDE-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1ncsc1C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308714739 229244312 /nfs/dbraw/zinc/24/43/12/229244312.db2.gz NXFDIXHXADFKDE-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC1CC(F)(F)C1 ZINC000308716299 229245044 /nfs/dbraw/zinc/24/50/44/229245044.db2.gz VZIAMNPMNFXUTP-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]CC1CC(F)(F)C1 ZINC000308716304 229244244 /nfs/dbraw/zinc/24/42/44/229244244.db2.gz VZIAMNPMNFXUTP-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC1CC(F)(F)C1 ZINC000308716310 533632351 /nfs/dbraw/zinc/63/23/51/533632351.db2.gz VZIAMNPMNFXUTP-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC1CC(F)(F)C1 ZINC000308716318 229244687 /nfs/dbraw/zinc/24/46/87/229244687.db2.gz VZIAMNPMNFXUTP-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO Clc1cscc1C[NH2+]Cc1cccs1 ZINC000308717107 631533863 /nfs/dbraw/zinc/53/38/63/631533863.db2.gz BSYWSVNAKZELNH-UHFFFAOYSA-N 1 0 243.784 3.753 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308717524 528678462 /nfs/dbraw/zinc/67/84/62/528678462.db2.gz XZGOGUSQWNTVHR-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308717525 528678173 /nfs/dbraw/zinc/67/81/73/528678173.db2.gz XZGOGUSQWNTVHR-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308717526 528678274 /nfs/dbraw/zinc/67/82/74/528678274.db2.gz XZGOGUSQWNTVHR-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308717527 528678346 /nfs/dbraw/zinc/67/83/46/528678346.db2.gz XZGOGUSQWNTVHR-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CSc1ccc(C[NH2+]CC(C)(C)C)s1 ZINC000308717736 532956653 /nfs/dbraw/zinc/95/66/53/532956653.db2.gz BZJLKLSPIBKDQW-UHFFFAOYSA-N 1 0 229.414 3.606 20 0 BHADRO CCCC(CCC)[NH2+]C(C)(C)C(F)F ZINC000308721085 491137863 /nfs/dbraw/zinc/13/78/63/491137863.db2.gz DEHGMCJRUPSCQH-UHFFFAOYSA-N 1 0 207.308 3.589 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308724452 259513974 /nfs/dbraw/zinc/51/39/74/259513974.db2.gz SZUSGAMONFMJAO-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308724453 259513970 /nfs/dbraw/zinc/51/39/70/259513970.db2.gz SZUSGAMONFMJAO-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308724454 388448612 /nfs/dbraw/zinc/44/86/12/388448612.db2.gz SZUSGAMONFMJAO-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1cncc1C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308724455 388448398 /nfs/dbraw/zinc/44/83/98/388448398.db2.gz SZUSGAMONFMJAO-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1([NH2+]Cc2cscc2Cl)CCC1 ZINC000308725340 491137847 /nfs/dbraw/zinc/13/78/47/491137847.db2.gz GJBPTYAURVCUKI-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO Cc1nc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)cs1 ZINC000308727093 534391037 /nfs/dbraw/zinc/39/10/37/534391037.db2.gz YARIQLQJECKWGC-GWCFXTLKSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@]2(C)CCCC[C@@H]2C)cs1 ZINC000308727094 229245555 /nfs/dbraw/zinc/24/55/55/229245555.db2.gz YARIQLQJECKWGC-GXFFZTMASA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@@]2(C)CCCC[C@H]2C)cs1 ZINC000308727095 534390970 /nfs/dbraw/zinc/39/09/70/534390970.db2.gz YARIQLQJECKWGC-MFKMUULPSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1nc(C[NH2+][C@]2(C)CCCC[C@H]2C)cs1 ZINC000308727096 229246084 /nfs/dbraw/zinc/24/60/84/229246084.db2.gz YARIQLQJECKWGC-ZWNOBZJWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1ccc(Cl)s1 ZINC000308727607 529681274 /nfs/dbraw/zinc/68/12/74/529681274.db2.gz HKMWSALPYNPVGI-SECBINFHSA-N 1 0 229.776 3.995 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1ccc(Cl)s1 ZINC000308727611 529584118 /nfs/dbraw/zinc/58/41/18/529584118.db2.gz HKMWSALPYNPVGI-VIFPVBQESA-N 1 0 229.776 3.995 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308728433 323177218 /nfs/dbraw/zinc/17/72/18/323177218.db2.gz HVPAYBWXKGTWJI-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308728434 323177291 /nfs/dbraw/zinc/17/72/91/323177291.db2.gz HVPAYBWXKGTWJI-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCCC[C@@H]([NH2+]C/C=C/Cl)C1CCC1 ZINC000308728978 633809131 /nfs/dbraw/zinc/80/91/31/633809131.db2.gz IFZHJSYFMKOGGY-BIPYJSMBSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@@H]([NH2+]C/C=C\Cl)C1CCC1 ZINC000308728981 631557631 /nfs/dbraw/zinc/55/76/31/631557631.db2.gz IFZHJSYFMKOGGY-DJTUGOFGSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@H]([NH2+]C/C=C/Cl)C1CCC1 ZINC000308728984 631558149 /nfs/dbraw/zinc/55/81/49/631558149.db2.gz IFZHJSYFMKOGGY-LHXVZLOVSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@H]([NH2+]C/C=C\Cl)C1CCC1 ZINC000308728987 631559265 /nfs/dbraw/zinc/55/92/65/631559265.db2.gz IFZHJSYFMKOGGY-LRAPTIAOSA-N 1 0 215.768 3.687 20 0 BHADRO CSc1ccc(C[NH2+]CC=C(C)C)s1 ZINC000308730165 388448510 /nfs/dbraw/zinc/44/85/10/388448510.db2.gz IZZPJBCOKPIDIY-UHFFFAOYSA-N 1 0 227.398 3.526 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000308730511 326138109 /nfs/dbraw/zinc/13/81/09/326138109.db2.gz JCQHVNARHDWPRH-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000308730512 326138062 /nfs/dbraw/zinc/13/80/62/326138062.db2.gz JCQHVNARHDWPRH-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000308730513 326138122 /nfs/dbraw/zinc/13/81/22/326138122.db2.gz JCQHVNARHDWPRH-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000308730514 326138150 /nfs/dbraw/zinc/13/81/50/326138150.db2.gz JCQHVNARHDWPRH-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308736396 388448980 /nfs/dbraw/zinc/44/89/80/388448980.db2.gz LQPANUNBBMCCRZ-PSASIEDQSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308736397 388448905 /nfs/dbraw/zinc/44/89/05/388448905.db2.gz LQPANUNBBMCCRZ-SCZZXKLOSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308736398 388449159 /nfs/dbraw/zinc/44/91/59/388449159.db2.gz LQPANUNBBMCCRZ-WCBMZHEXSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308736399 388449039 /nfs/dbraw/zinc/44/90/39/388449039.db2.gz LQPANUNBBMCCRZ-WPRPVWTQSA-N 1 0 229.776 3.680 20 0 BHADRO CCC[C@@H]([NH2+]CCSC)c1ccsc1 ZINC000308737515 346907716 /nfs/dbraw/zinc/90/77/16/346907716.db2.gz MMICAMACGHTYLG-LLVKDONJSA-N 1 0 229.414 3.542 20 0 BHADRO CCC[C@H]([NH2+]CCSC)c1ccsc1 ZINC000308737516 348273667 /nfs/dbraw/zinc/27/36/67/348273667.db2.gz MMICAMACGHTYLG-NSHDSACASA-N 1 0 229.414 3.542 20 0 BHADRO CC(C)[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000308739944 348276283 /nfs/dbraw/zinc/27/62/83/348276283.db2.gz NYDTWZWGXRHXIL-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000308739945 348276421 /nfs/dbraw/zinc/27/64/21/348276421.db2.gz NYDTWZWGXRHXIL-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)C[NH2+]Cc1cscc1Cl ZINC000308739970 631360462 /nfs/dbraw/zinc/36/04/62/631360462.db2.gz NZRWDGJLTWQROA-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO Clc1sccc1C[NH2+]CC1CCCC1 ZINC000308740241 385046530 /nfs/dbraw/zinc/04/65/30/385046530.db2.gz OHDDROWASXEORQ-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@@H]1CCCC12CCC2 ZINC000308741245 528592291 /nfs/dbraw/zinc/59/22/91/528592291.db2.gz OTMXVQKBCMJFBX-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@H]1CCCC12CCC2 ZINC000308741246 528592439 /nfs/dbraw/zinc/59/24/39/528592439.db2.gz OTMXVQKBCMJFBX-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000308741905 370156528 /nfs/dbraw/zinc/15/65/28/370156528.db2.gz PEZKZXZDZXSNTL-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CSC ZINC000308743338 388448893 /nfs/dbraw/zinc/44/88/93/388448893.db2.gz QANAYVLMSLUAPY-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CSC ZINC000308743339 388448979 /nfs/dbraw/zinc/44/89/79/388448979.db2.gz QANAYVLMSLUAPY-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CSC ZINC000308743340 528896525 /nfs/dbraw/zinc/89/65/25/528896525.db2.gz QANAYVLMSLUAPY-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CSC ZINC000308743341 388448004 /nfs/dbraw/zinc/44/80/04/388448004.db2.gz QANAYVLMSLUAPY-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)(C)C)c1cccc(C)c1 ZINC000308744247 348371600 /nfs/dbraw/zinc/37/16/00/348371600.db2.gz QOSUBFRXVLXTAW-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(C)c1 ZINC000308744248 348371869 /nfs/dbraw/zinc/37/18/69/348371869.db2.gz QOSUBFRXVLXTAW-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO Clc1cscc1C[NH2+]CCCC1CC1 ZINC000308748469 491137872 /nfs/dbraw/zinc/13/78/72/491137872.db2.gz SOYDIAMVERWYFP-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)(C)OCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000308748982 370157810 /nfs/dbraw/zinc/15/78/10/370157810.db2.gz SSBSAJGBENKNNI-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)OCC[NH2+][C@H]1CCCC12CCCC2 ZINC000308748983 370158057 /nfs/dbraw/zinc/15/80/57/370158057.db2.gz SSBSAJGBENKNNI-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308750898 323177699 /nfs/dbraw/zinc/17/76/99/323177699.db2.gz UKLXMCKOSIMHEJ-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308751013 323177800 /nfs/dbraw/zinc/17/78/00/323177800.db2.gz UKLXMCKOSIMHEJ-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)(C)C)c1ccc(C)cc1 ZINC000308751102 171521985 /nfs/dbraw/zinc/52/19/85/171521985.db2.gz UQGRDSKYTCULEV-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(C)cc1 ZINC000308751103 385067433 /nfs/dbraw/zinc/06/74/33/385067433.db2.gz UQGRDSKYTCULEV-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCCF ZINC000308751671 388448953 /nfs/dbraw/zinc/44/89/53/388448953.db2.gz UQTMDFFGALWOOR-NEPJUHHUSA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCCF ZINC000308751672 385067995 /nfs/dbraw/zinc/06/79/95/385067995.db2.gz UQTMDFFGALWOOR-NWDGAFQWSA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCCF ZINC000308751673 388448793 /nfs/dbraw/zinc/44/87/93/388448793.db2.gz UQTMDFFGALWOOR-RYUDHWBXSA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCCF ZINC000308751675 528901911 /nfs/dbraw/zinc/90/19/11/528901911.db2.gz UQTMDFFGALWOOR-VXGBXAGGSA-N 1 0 203.345 3.541 20 0 BHADRO CC(C)(C[NH2+]Cc1ccco1)C1=CCCC1 ZINC000308751684 388448914 /nfs/dbraw/zinc/44/89/14/388448914.db2.gz ACRLGQYPCKEQJD-UHFFFAOYSA-N 1 0 219.328 3.506 20 0 BHADRO CCC[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000308751797 169510822 /nfs/dbraw/zinc/51/08/22/169510822.db2.gz USPOYQOFIBJHBI-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000308751805 385068389 /nfs/dbraw/zinc/06/83/89/385068389.db2.gz USPOYQOFIBJHBI-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CCC(C)(C)OCC[NH2+]C[C@H](C)c1ccccc1 ZINC000308752562 528590897 /nfs/dbraw/zinc/59/08/97/528590897.db2.gz UYRAUDUJCOSMEO-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCC(C)(C)OCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000308752563 388448852 /nfs/dbraw/zinc/44/88/52/388448852.db2.gz UYRAUDUJCOSMEO-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)(C[NH2+]C1CCSCC1)C1=CCCC1 ZINC000308753243 527169604 /nfs/dbraw/zinc/16/96/04/527169604.db2.gz FAWZMVSBXUGJSX-UHFFFAOYSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)c1ccccn1 ZINC000308755519 388448963 /nfs/dbraw/zinc/44/89/63/388448963.db2.gz KPZXJMALYZWPFO-CYBMUJFWSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)c1ccccn1 ZINC000308755520 229246640 /nfs/dbraw/zinc/24/66/40/229246640.db2.gz KPZXJMALYZWPFO-ZDUSSCGKSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000308756185 326138811 /nfs/dbraw/zinc/13/88/11/326138811.db2.gz WMHCASVIROSDMG-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000308756187 326138681 /nfs/dbraw/zinc/13/86/81/326138681.db2.gz WMHCASVIROSDMG-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000308756189 326138712 /nfs/dbraw/zinc/13/87/12/326138712.db2.gz WMHCASVIROSDMG-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000308756191 326138513 /nfs/dbraw/zinc/13/85/13/326138513.db2.gz WMHCASVIROSDMG-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO Clc1cscc1C[NH2+]CCC1CCC1 ZINC000308756869 631563531 /nfs/dbraw/zinc/56/35/31/631563531.db2.gz WRUMHSAZRIEYEG-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCSC1)C1=CCCC1 ZINC000308757068 385074957 /nfs/dbraw/zinc/07/49/57/385074957.db2.gz OJEIAROBINCOPQ-CYBMUJFWSA-N 1 0 239.428 3.608 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCSC1)C1=CCCC1 ZINC000308757071 527180336 /nfs/dbraw/zinc/18/03/36/527180336.db2.gz OJEIAROBINCOPQ-ZDUSSCGKSA-N 1 0 239.428 3.608 20 0 BHADRO Cc1noc(C)c1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308757076 229247250 /nfs/dbraw/zinc/24/72/50/229247250.db2.gz OKQOKUYOFLJWKC-UHFFFAOYSA-N 1 0 248.370 3.518 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)c1ccncc1 ZINC000308757081 229247175 /nfs/dbraw/zinc/24/71/75/229247175.db2.gz OMYVUFAUYCPLDQ-CYBMUJFWSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)c1ccncc1 ZINC000308757083 229246375 /nfs/dbraw/zinc/24/63/75/229246375.db2.gz OMYVUFAUYCPLDQ-ZDUSSCGKSA-N 1 0 244.382 3.869 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C2=CCCC2)nc1 ZINC000308757142 534056173 /nfs/dbraw/zinc/05/61/73/534056173.db2.gz PGZGRRHHXIHAEN-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)c1cccnc1 ZINC000308758370 229247480 /nfs/dbraw/zinc/24/74/80/229247480.db2.gz RRKKKJZJDHSZPC-CYBMUJFWSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)c1cccnc1 ZINC000308758373 229247380 /nfs/dbraw/zinc/24/73/80/229247380.db2.gz RRKKKJZJDHSZPC-ZDUSSCGKSA-N 1 0 244.382 3.869 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)c(C)c1 ZINC000308758692 323177788 /nfs/dbraw/zinc/17/77/88/323177788.db2.gz XDLNXODGAHTMLI-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)c(C)c1 ZINC000308758695 323177796 /nfs/dbraw/zinc/17/77/96/323177796.db2.gz XDLNXODGAHTMLI-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CCCF ZINC000308759414 323177905 /nfs/dbraw/zinc/17/79/05/323177905.db2.gz XGQVTTPZFFTIFB-GFCCVEGCSA-N 1 0 203.345 3.542 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CCCF ZINC000308759426 323177828 /nfs/dbraw/zinc/17/78/28/323177828.db2.gz XGQVTTPZFFTIFB-LBPRGKRZSA-N 1 0 203.345 3.542 20 0 BHADRO Cc1ccncc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308760215 534415055 /nfs/dbraw/zinc/41/50/55/534415055.db2.gz WTIQOVGGXQWGTQ-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C2=CCCC2)cn1 ZINC000308760216 409901815 /nfs/dbraw/zinc/90/18/15/409901815.db2.gz WUKXZCKIURJPTC-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccsc1Cl ZINC000308760745 631640449 /nfs/dbraw/zinc/64/04/49/631640449.db2.gz XVYRPHNWDISQIS-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)C2=CCCC2)CC1 ZINC000308761044 533509858 /nfs/dbraw/zinc/50/98/58/533509858.db2.gz YZCMABYEZVVLJU-UHFFFAOYSA-N 1 0 239.428 3.608 20 0 BHADRO CC(C)(C[NH2+]Cc1ccoc1)C1=CCCC1 ZINC000308761111 631640547 /nfs/dbraw/zinc/64/05/47/631640547.db2.gz ZOCZKRBPKPUBKT-UHFFFAOYSA-N 1 0 219.328 3.506 20 0 BHADRO CC(C)(C[NH2+]C1CCCC1)C1=CCCC1 ZINC000308761302 527169555 /nfs/dbraw/zinc/16/95/55/527169555.db2.gz BGSJWMGHJGLLIW-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308761914 631639852 /nfs/dbraw/zinc/63/98/52/631639852.db2.gz DDSUSGOUNSQVCJ-AAEUAGOBSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308761915 631640622 /nfs/dbraw/zinc/64/06/22/631640622.db2.gz DDSUSGOUNSQVCJ-DGCLKSJQSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308761916 631640173 /nfs/dbraw/zinc/64/01/73/631640173.db2.gz DDSUSGOUNSQVCJ-WCQYABFASA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308761917 631639455 /nfs/dbraw/zinc/63/94/55/631639455.db2.gz DDSUSGOUNSQVCJ-YPMHNXCESA-N 1 0 207.361 3.511 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(SC)s1 ZINC000308762089 528803854 /nfs/dbraw/zinc/80/38/54/528803854.db2.gz YKEONNBJNSAYKT-UHFFFAOYSA-N 1 0 229.414 3.748 20 0 BHADRO Clc1sccc1C[NH2+]CCCC1CC1 ZINC000308762110 370161398 /nfs/dbraw/zinc/16/13/98/370161398.db2.gz YLEMZISHOXPBDB-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308762259 532968474 /nfs/dbraw/zinc/96/84/74/532968474.db2.gz DQMTZIAZUJXNGV-GFCCVEGCSA-N 1 0 239.403 3.526 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308762260 532969167 /nfs/dbraw/zinc/96/91/67/532969167.db2.gz DQMTZIAZUJXNGV-LBPRGKRZSA-N 1 0 239.403 3.526 20 0 BHADRO CC1CC([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000308763248 528162956 /nfs/dbraw/zinc/16/29/56/528162956.db2.gz IQEBXUZETHZLQY-UHFFFAOYSA-N 1 0 207.361 3.511 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308764198 229247900 /nfs/dbraw/zinc/24/79/00/229247900.db2.gz AULNKGDXRNLEFR-CYBMUJFWSA-N 1 0 239.403 3.528 20 0 BHADRO COCCC[C@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308764199 229248523 /nfs/dbraw/zinc/24/85/23/229248523.db2.gz AULNKGDXRNLEFR-ZDUSSCGKSA-N 1 0 239.403 3.528 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCOC(C)(C)C)c(C)c1 ZINC000308764900 342870110 /nfs/dbraw/zinc/87/01/10/342870110.db2.gz ZYKWSONDTKTYGM-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308767369 229248053 /nfs/dbraw/zinc/24/80/53/229248053.db2.gz TYQPETRXFQCQNC-LLVKDONJSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308767372 229248059 /nfs/dbraw/zinc/24/80/59/229248059.db2.gz TYQPETRXFQCQNC-NSHDSACASA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)(C[NH2+]Cc1ccc(O)cc1)C1=CCCC1 ZINC000308767391 409904956 /nfs/dbraw/zinc/90/49/56/409904956.db2.gz UBZXEBFPBHQRLC-UHFFFAOYSA-N 1 0 245.366 3.618 20 0 BHADRO Cc1ncccc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308767942 229248331 /nfs/dbraw/zinc/24/83/31/229248331.db2.gz SYFVRCATWRVMNW-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO CC(C)(C[NH2+]Cc1cccc(O)c1)C1=CCCC1 ZINC000308768237 527170862 /nfs/dbraw/zinc/17/08/62/527170862.db2.gz XCTFLCQKDJKAPE-UHFFFAOYSA-N 1 0 245.366 3.618 20 0 BHADRO Cc1cnccc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308772045 388364406 /nfs/dbraw/zinc/36/44/06/388364406.db2.gz YTVQNYBELKUNBH-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CCCCC1 ZINC000308775848 388448837 /nfs/dbraw/zinc/44/88/37/388448837.db2.gz AFCIPAXLBGBBKS-FPMFFAJLSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CCCCC1 ZINC000308775849 388448876 /nfs/dbraw/zinc/44/88/76/388448876.db2.gz AFCIPAXLBGBBKS-KWCYVHTRSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CCCCC1 ZINC000308775850 259513882 /nfs/dbraw/zinc/51/38/82/259513882.db2.gz AFCIPAXLBGBBKS-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)C1CCCCC1 ZINC000308775851 388449130 /nfs/dbraw/zinc/44/91/30/388449130.db2.gz AFCIPAXLBGBBKS-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1Cl ZINC000308776877 229248075 /nfs/dbraw/zinc/24/80/75/229248075.db2.gz ATFLXEKEDGWSRR-GBIKHYSHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000308776878 534011931 /nfs/dbraw/zinc/01/19/31/534011931.db2.gz ATFLXEKEDGWSRR-KWBADKCTSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1Cl ZINC000308776879 534013806 /nfs/dbraw/zinc/01/38/06/534013806.db2.gz ATFLXEKEDGWSRR-NRUUGDAUSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000308776880 229248297 /nfs/dbraw/zinc/24/82/97/229248297.db2.gz ATFLXEKEDGWSRR-OUJBWJOFSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000308778059 533517963 /nfs/dbraw/zinc/51/79/63/533517963.db2.gz KDYSDDSTZWEUJG-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000308778060 533540622 /nfs/dbraw/zinc/54/06/22/533540622.db2.gz KDYSDDSTZWEUJG-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)C1CCCCC1 ZINC000308779321 528321024 /nfs/dbraw/zinc/32/10/24/528321024.db2.gz BYYJUAIVEXIZQY-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)C1CCCCC1 ZINC000308779326 528320802 /nfs/dbraw/zinc/32/08/02/528320802.db2.gz BYYJUAIVEXIZQY-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000308779800 348548734 /nfs/dbraw/zinc/54/87/34/348548734.db2.gz CFFLQFSNKWQHPF-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000308779801 348549004 /nfs/dbraw/zinc/54/90/04/348549004.db2.gz CFFLQFSNKWQHPF-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000308779802 348549045 /nfs/dbraw/zinc/54/90/45/348549045.db2.gz CFFLQFSNKWQHPF-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000308779803 348549409 /nfs/dbraw/zinc/54/94/09/348549409.db2.gz CFFLQFSNKWQHPF-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(Cl)c1 ZINC000308780434 229248541 /nfs/dbraw/zinc/24/85/41/229248541.db2.gz CFOVXIUSNPUURI-GBIKHYSHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(Cl)c1 ZINC000308780440 534011074 /nfs/dbraw/zinc/01/10/74/534011074.db2.gz CFOVXIUSNPUURI-KWBADKCTSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(Cl)c1 ZINC000308780445 534013265 /nfs/dbraw/zinc/01/32/65/534013265.db2.gz CFOVXIUSNPUURI-NRUUGDAUSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(Cl)c1 ZINC000308780452 229248126 /nfs/dbraw/zinc/24/81/26/229248126.db2.gz CFOVXIUSNPUURI-OUJBWJOFSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)C1CCCCCC1 ZINC000308780859 534014364 /nfs/dbraw/zinc/01/43/64/534014364.db2.gz PNCVZRQZKNFFGK-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CCCCCC1 ZINC000308780861 229247889 /nfs/dbraw/zinc/24/78/89/229247889.db2.gz PNCVZRQZKNFFGK-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000308780898 529052073 /nfs/dbraw/zinc/05/20/73/529052073.db2.gz PSFIYUBBURPBDQ-GFCCVEGCSA-N 1 0 223.747 3.618 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000308780900 529032853 /nfs/dbraw/zinc/03/28/53/529032853.db2.gz PSFIYUBBURPBDQ-LBPRGKRZSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000308781292 533894749 /nfs/dbraw/zinc/89/47/49/533894749.db2.gz QHWMMUAHUGVVIY-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000308781294 533794923 /nfs/dbraw/zinc/79/49/23/533794923.db2.gz QHWMMUAHUGVVIY-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000308781296 533894421 /nfs/dbraw/zinc/89/44/21/533894421.db2.gz QHWMMUAHUGVVIY-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000308781298 533794746 /nfs/dbraw/zinc/79/47/46/533794746.db2.gz QHWMMUAHUGVVIY-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000308781917 167331099 /nfs/dbraw/zinc/33/10/99/167331099.db2.gz DBXJWQDCORHNLP-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000308781918 167330208 /nfs/dbraw/zinc/33/02/08/167330208.db2.gz DBXJWQDCORHNLP-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000308781920 167330631 /nfs/dbraw/zinc/33/06/31/167330631.db2.gz DBXJWQDCORHNLP-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000308781922 167330313 /nfs/dbraw/zinc/33/03/13/167330313.db2.gz DBXJWQDCORHNLP-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCSC(C)C ZINC000308782313 385092165 /nfs/dbraw/zinc/09/21/65/385092165.db2.gz DEWSHZZJEOAUJU-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCSC(C)C ZINC000308782314 529283110 /nfs/dbraw/zinc/28/31/10/529283110.db2.gz DEWSHZZJEOAUJU-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCSC(C)C ZINC000308782315 529211020 /nfs/dbraw/zinc/21/10/20/529211020.db2.gz DEWSHZZJEOAUJU-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCSC(C)C ZINC000308782316 529207081 /nfs/dbraw/zinc/20/70/81/529207081.db2.gz DEWSHZZJEOAUJU-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CSCCCCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308783102 348588676 /nfs/dbraw/zinc/58/86/76/348588676.db2.gz DQPRDFXSXCZRIZ-GFCCVEGCSA-N 1 0 231.449 3.792 20 0 BHADRO CSCCCCC[NH2+]C[C@H](C)C(C)(C)C ZINC000308783104 348588719 /nfs/dbraw/zinc/58/87/19/348588719.db2.gz DQPRDFXSXCZRIZ-LBPRGKRZSA-N 1 0 231.449 3.792 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCCC(C)C)CC1 ZINC000308784320 229249378 /nfs/dbraw/zinc/24/93/78/229249378.db2.gz DZZJGQXTHGSPRO-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000308784321 533510670 /nfs/dbraw/zinc/51/06/70/533510670.db2.gz DZZJGQXTHGSPRO-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000308784710 527742434 /nfs/dbraw/zinc/74/24/34/527742434.db2.gz AOCREEVOQCPFKT-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)C(C)(C)C ZINC000308785295 491138158 /nfs/dbraw/zinc/13/81/58/491138158.db2.gz FPZBNPVLMCGTCF-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@H](C)C(C)(C)C ZINC000308785296 491138132 /nfs/dbraw/zinc/13/81/32/491138132.db2.gz FPZBNPVLMCGTCF-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC(F)(F)F)C(C)(C)C ZINC000308785297 491138137 /nfs/dbraw/zinc/13/81/37/491138137.db2.gz FPZBNPVLMCGTCF-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)C(C)(C)C ZINC000308785298 491138118 /nfs/dbraw/zinc/13/81/18/491138118.db2.gz FPZBNPVLMCGTCF-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCSC(C)C ZINC000308785454 385101817 /nfs/dbraw/zinc/10/18/17/385101817.db2.gz FHLVYVDJRVJAHP-LLVKDONJSA-N 1 0 243.441 3.849 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCSC(C)C ZINC000308785456 229249350 /nfs/dbraw/zinc/24/93/50/229249350.db2.gz FHLVYVDJRVJAHP-NSHDSACASA-N 1 0 243.441 3.849 20 0 BHADRO CCCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000308786368 528213453 /nfs/dbraw/zinc/21/34/53/528213453.db2.gz BHWZNWGWJZJMEI-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(C)c1 ZINC000308788543 385104115 /nfs/dbraw/zinc/10/41/15/385104115.db2.gz CEHRDSYYQGSCFJ-GXTWGEPZSA-N 1 0 205.345 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308788545 171345753 /nfs/dbraw/zinc/34/57/53/171345753.db2.gz CEHRDSYYQGSCFJ-JSGCOSHPSA-N 1 0 205.345 3.834 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308788547 385106069 /nfs/dbraw/zinc/10/60/69/385106069.db2.gz CEHRDSYYQGSCFJ-OCCSQVGLSA-N 1 0 205.345 3.834 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cccc(C)c1 ZINC000308788549 385105618 /nfs/dbraw/zinc/10/56/18/385105618.db2.gz CEHRDSYYQGSCFJ-TZMCWYRMSA-N 1 0 205.345 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccsc1 ZINC000308789832 385108459 /nfs/dbraw/zinc/10/84/59/385108459.db2.gz CIZIWDQBSFJVFJ-GHMZBOCLSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccsc1 ZINC000308789835 384290813 /nfs/dbraw/zinc/29/08/13/384290813.db2.gz CIZIWDQBSFJVFJ-MNOVXSKESA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccsc1 ZINC000308789838 176861675 /nfs/dbraw/zinc/86/16/75/176861675.db2.gz CIZIWDQBSFJVFJ-QWRGUYRKSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccsc1 ZINC000308790381 385106922 /nfs/dbraw/zinc/10/69/22/385106922.db2.gz CIZIWDQBSFJVFJ-WDEREUQCSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)C1CCCCC1 ZINC000308790406 229249382 /nfs/dbraw/zinc/24/93/82/229249382.db2.gz CKAPSDADKWOUGK-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000308791014 385107192 /nfs/dbraw/zinc/10/71/92/385107192.db2.gz IJEKZBLEUHIWIO-GFCCVEGCSA-N 1 0 229.726 3.740 20 0 BHADRO CCC[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000308791015 385107366 /nfs/dbraw/zinc/10/73/66/385107366.db2.gz IJEKZBLEUHIWIO-LBPRGKRZSA-N 1 0 229.726 3.740 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCCCCF ZINC000308791919 528923935 /nfs/dbraw/zinc/92/39/35/528923935.db2.gz DIISEUZDHNULCK-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCCCCF ZINC000308791921 528919478 /nfs/dbraw/zinc/91/94/78/528919478.db2.gz DIISEUZDHNULCK-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)SCC[NH2+]CCC1CCCCC1 ZINC000308792015 528320662 /nfs/dbraw/zinc/32/06/62/528320662.db2.gz IQHJBAKZCHQVGN-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308793596 533923699 /nfs/dbraw/zinc/92/36/99/533923699.db2.gz FURDMRAYMBXXMV-AAEUAGOBSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308793598 534061058 /nfs/dbraw/zinc/06/10/58/534061058.db2.gz FURDMRAYMBXXMV-DGCLKSJQSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308793600 533923716 /nfs/dbraw/zinc/92/37/16/533923716.db2.gz FURDMRAYMBXXMV-WCQYABFASA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308793601 534060796 /nfs/dbraw/zinc/06/07/96/534060796.db2.gz FURDMRAYMBXXMV-YPMHNXCESA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CC(C)C1)C1CC1 ZINC000308794766 527845590 /nfs/dbraw/zinc/84/55/90/527845590.db2.gz GIQWXABLZZRCGN-UBHUBRDASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CC(C)C1)C1CC1 ZINC000308794769 527808242 /nfs/dbraw/zinc/80/82/42/527808242.db2.gz GIQWXABLZZRCGN-UXUKBGGZSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000308794976 528320585 /nfs/dbraw/zinc/32/05/85/528320585.db2.gz JWFMVJFEZBGNBG-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000308794978 528320783 /nfs/dbraw/zinc/32/07/83/528320783.db2.gz JWFMVJFEZBGNBG-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CC=CC1)C1CC1 ZINC000308796587 487494316 /nfs/dbraw/zinc/49/43/16/487494316.db2.gz HSTTZDLAASCTTQ-AWEZNQCLSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CC=CC1)C1CC1 ZINC000308796588 487685929 /nfs/dbraw/zinc/68/59/29/487685929.db2.gz HSTTZDLAASCTTQ-CQSZACIVSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)SCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000308797299 528320937 /nfs/dbraw/zinc/32/09/37/528320937.db2.gz KVJCQPPJDQVKCI-ITGUQSILSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000308797302 528320219 /nfs/dbraw/zinc/32/02/19/528320219.db2.gz KVJCQPPJDQVKCI-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000308797304 528320544 /nfs/dbraw/zinc/32/05/44/528320544.db2.gz KVJCQPPJDQVKCI-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000308797597 529051199 /nfs/dbraw/zinc/05/11/99/529051199.db2.gz JRQMSGFIWQZPAC-GFCCVEGCSA-N 1 0 223.747 3.618 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000308797598 529032213 /nfs/dbraw/zinc/03/22/13/529032213.db2.gz JRQMSGFIWQZPAC-LBPRGKRZSA-N 1 0 223.747 3.618 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308797999 631649580 /nfs/dbraw/zinc/64/95/80/631649580.db2.gz IOEJJSDOBSBCRT-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308798000 631650854 /nfs/dbraw/zinc/65/08/54/631650854.db2.gz IOEJJSDOBSBCRT-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308798001 631650217 /nfs/dbraw/zinc/65/02/17/631650217.db2.gz IOEJJSDOBSBCRT-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308798002 631649784 /nfs/dbraw/zinc/64/97/84/631649784.db2.gz IOEJJSDOBSBCRT-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000308798689 229249070 /nfs/dbraw/zinc/24/90/70/229249070.db2.gz KDYSDDSTZWEUJG-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000308798690 229248973 /nfs/dbraw/zinc/24/89/73/229248973.db2.gz KDYSDDSTZWEUJG-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000308798880 631650483 /nfs/dbraw/zinc/65/04/83/631650483.db2.gz KEIZFXVWOFIBHS-BREBYQMCSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000308798882 631650300 /nfs/dbraw/zinc/65/03/00/631650300.db2.gz KEIZFXVWOFIBHS-CWSCBRNRSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000308798884 631472885 /nfs/dbraw/zinc/47/28/85/631472885.db2.gz KEIZFXVWOFIBHS-GIPNMCIBSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000308798887 631473229 /nfs/dbraw/zinc/47/32/29/631473229.db2.gz KEIZFXVWOFIBHS-OPQQBVKSSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H](C[NH2+]C[C@]1(C)CCCS1)C(C)(C)C ZINC000308801069 487512051 /nfs/dbraw/zinc/51/20/51/487512051.db2.gz MMYWBNJDUDMPAD-AAEUAGOBSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](C[NH2+]C[C@@]1(C)CCCS1)C(C)(C)C ZINC000308801071 487512389 /nfs/dbraw/zinc/51/23/89/487512389.db2.gz MMYWBNJDUDMPAD-DGCLKSJQSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)C(C)(C)C ZINC000308801074 487512291 /nfs/dbraw/zinc/51/22/91/487512291.db2.gz MMYWBNJDUDMPAD-WCQYABFASA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](C[NH2+]C[C@]1(C)CCCS1)C(C)(C)C ZINC000308801076 487512313 /nfs/dbraw/zinc/51/23/13/487512313.db2.gz MMYWBNJDUDMPAD-YPMHNXCESA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308803035 533572897 /nfs/dbraw/zinc/57/28/97/533572897.db2.gz MXWLKFHESBFVNV-CYBMUJFWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308803036 533572640 /nfs/dbraw/zinc/57/26/40/533572640.db2.gz MXWLKFHESBFVNV-ZDUSSCGKSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C1CCCCCCC1 ZINC000308803401 631668130 /nfs/dbraw/zinc/66/81/30/631668130.db2.gz NQCRBYVHSCHWJT-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CCc1ccc(C[NH2+]CCSC(C)C)s1 ZINC000308804584 348695533 /nfs/dbraw/zinc/69/55/33/348695533.db2.gz OCUMUNVMXGLDKD-UHFFFAOYSA-N 1 0 243.441 3.542 20 0 BHADRO C(CCC1CCCC1)C[NH2+]C1CCCC1 ZINC000308807042 631668170 /nfs/dbraw/zinc/66/81/70/631668170.db2.gz BCRVBBRWALTUDS-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000308807434 528320701 /nfs/dbraw/zinc/32/07/01/528320701.db2.gz PANBZBMLKVGOTL-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000308807436 528320674 /nfs/dbraw/zinc/32/06/74/528320674.db2.gz PANBZBMLKVGOTL-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000308807438 528321141 /nfs/dbraw/zinc/32/11/41/528321141.db2.gz PANBZBMLKVGOTL-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000308807440 528319982 /nfs/dbraw/zinc/31/99/82/528319982.db2.gz PANBZBMLKVGOTL-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CSC(C)(C)C[NH2+]CC(C(C)C)C(C)C ZINC000308809280 631664230 /nfs/dbraw/zinc/66/42/30/631664230.db2.gz QHABCMKVDXOHIL-UHFFFAOYSA-N 1 0 231.449 3.646 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000308810071 229250261 /nfs/dbraw/zinc/25/02/61/229250261.db2.gz NKEUOLRSFVSHIH-AAEUAGOBSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000308810072 533518453 /nfs/dbraw/zinc/51/84/53/533518453.db2.gz NKEUOLRSFVSHIH-DGCLKSJQSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000308810073 229250247 /nfs/dbraw/zinc/25/02/47/229250247.db2.gz NKEUOLRSFVSHIH-WCQYABFASA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000308810074 533540827 /nfs/dbraw/zinc/54/08/27/533540827.db2.gz NKEUOLRSFVSHIH-YPMHNXCESA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)CCC(C)(C)C ZINC000308810132 528320208 /nfs/dbraw/zinc/32/02/08/528320208.db2.gz NMCNSZPHNJSPSF-GFCCVEGCSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308810134 528321121 /nfs/dbraw/zinc/32/11/21/528321121.db2.gz NMCNSZPHNJSPSF-LBPRGKRZSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1ccccc1 ZINC000308810207 527742300 /nfs/dbraw/zinc/74/23/00/527742300.db2.gz PZRMJAZCJLXFJA-UHFFFAOYSA-N 1 0 205.345 3.557 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000308810465 259367561 /nfs/dbraw/zinc/36/75/61/259367561.db2.gz NOUZKHFFIMEVQK-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000308810466 528319943 /nfs/dbraw/zinc/31/99/43/528319943.db2.gz NOUZKHFFIMEVQK-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000308810467 528320750 /nfs/dbraw/zinc/32/07/50/528320750.db2.gz NOUZKHFFIMEVQK-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000308810468 528320197 /nfs/dbraw/zinc/32/01/97/528320197.db2.gz NOUZKHFFIMEVQK-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CCc1ccc(C[NH+]2CCCCCC2)s1 ZINC000308811099 323178764 /nfs/dbraw/zinc/17/87/64/323178764.db2.gz CLIQYDOGIODGQX-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000308814524 527845595 /nfs/dbraw/zinc/84/55/95/527845595.db2.gz UIKAXVWPMXFTOY-AWEZNQCLSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000308814528 527809262 /nfs/dbraw/zinc/80/92/62/527809262.db2.gz UIKAXVWPMXFTOY-CQSZACIVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CCC1)c1cccs1 ZINC000308815070 528358596 /nfs/dbraw/zinc/35/85/96/528358596.db2.gz AKPSLTWNLPSKEW-GFCCVEGCSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CCC1)c1cccs1 ZINC000308815077 528569735 /nfs/dbraw/zinc/56/97/35/528569735.db2.gz AKPSLTWNLPSKEW-LBPRGKRZSA-N 1 0 223.385 3.977 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000308816035 631665626 /nfs/dbraw/zinc/66/56/26/631665626.db2.gz VFMUFXZEFMSVSB-LLVKDONJSA-N 1 0 231.449 3.932 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000308816036 631665241 /nfs/dbraw/zinc/66/52/41/631665241.db2.gz VFMUFXZEFMSVSB-NSHDSACASA-N 1 0 231.449 3.932 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCC1(C)C ZINC000308817901 229249890 /nfs/dbraw/zinc/24/98/90/229249890.db2.gz BCUGMNFMTUDRSD-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC1(C)C ZINC000308817902 533824764 /nfs/dbraw/zinc/82/47/64/533824764.db2.gz BCUGMNFMTUDRSD-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCC1(C)C ZINC000308817903 229249980 /nfs/dbraw/zinc/24/99/80/229249980.db2.gz BCUGMNFMTUDRSD-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC1(C)C ZINC000308817904 229249943 /nfs/dbraw/zinc/24/99/43/229249943.db2.gz BCUGMNFMTUDRSD-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000308818326 527764971 /nfs/dbraw/zinc/76/49/71/527764971.db2.gz PTEOECXDSAHNNF-CHWSQXEVSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000308818328 527763184 /nfs/dbraw/zinc/76/31/84/527763184.db2.gz PTEOECXDSAHNNF-OLZOCXBDSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000308818330 528654749 /nfs/dbraw/zinc/65/47/49/528654749.db2.gz PTEOECXDSAHNNF-QWHCGFSZSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000308818332 528652317 /nfs/dbraw/zinc/65/23/17/528652317.db2.gz PTEOECXDSAHNNF-STQMWFEESA-N 1 0 215.356 3.541 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000308818355 529051958 /nfs/dbraw/zinc/05/19/58/529051958.db2.gz PTTNPKBBHDIICA-GFCCVEGCSA-N 1 0 223.747 3.618 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000308818357 529033042 /nfs/dbraw/zinc/03/30/42/529033042.db2.gz PTTNPKBBHDIICA-LBPRGKRZSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC[C@H]1C ZINC000308818948 229251274 /nfs/dbraw/zinc/25/12/74/229251274.db2.gz BJOQOBZODNHYKH-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000308818951 229250940 /nfs/dbraw/zinc/25/09/40/229250940.db2.gz BJOQOBZODNHYKH-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000308818954 229251235 /nfs/dbraw/zinc/25/12/35/229251235.db2.gz BJOQOBZODNHYKH-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000308818958 229250878 /nfs/dbraw/zinc/25/08/78/229250878.db2.gz BJOQOBZODNHYKH-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000308819463 528320744 /nfs/dbraw/zinc/32/07/44/528320744.db2.gz BMATXZRPYJUZGE-CHWSQXEVSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000308819465 528320286 /nfs/dbraw/zinc/32/02/86/528320286.db2.gz BMATXZRPYJUZGE-OLZOCXBDSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000308819467 528320841 /nfs/dbraw/zinc/32/08/41/528320841.db2.gz BMATXZRPYJUZGE-QWHCGFSZSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000308819469 528320487 /nfs/dbraw/zinc/32/04/87/528320487.db2.gz BMATXZRPYJUZGE-STQMWFEESA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)([NH2+]C/C=C\Cl)c1ccc(Cl)cc1 ZINC000308819960 631708653 /nfs/dbraw/zinc/70/86/53/631708653.db2.gz BPSAALYJKLMFIW-BAQGIRSFSA-N 1 0 244.165 3.917 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCCC1CC1 ZINC000308820346 631710744 /nfs/dbraw/zinc/71/07/44/631710744.db2.gz BSROCQYPLUCDRZ-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCCC1CC1 ZINC000308820347 631672923 /nfs/dbraw/zinc/67/29/23/631672923.db2.gz BSROCQYPLUCDRZ-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000308820916 631673238 /nfs/dbraw/zinc/67/32/38/631673238.db2.gz BXMMOJUOLLDAKS-GFCCVEGCSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000308820918 631826755 /nfs/dbraw/zinc/82/67/55/631826755.db2.gz BXMMOJUOLLDAKS-LBPRGKRZSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308822653 491138468 /nfs/dbraw/zinc/13/84/68/491138468.db2.gz CMRKEUKRQMHIGB-GHMZBOCLSA-N 1 0 243.803 3.926 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308822654 491138477 /nfs/dbraw/zinc/13/84/77/491138477.db2.gz CMRKEUKRQMHIGB-MNOVXSKESA-N 1 0 243.803 3.926 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308822655 491138486 /nfs/dbraw/zinc/13/84/86/491138486.db2.gz CMRKEUKRQMHIGB-QWRGUYRKSA-N 1 0 243.803 3.926 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000308822656 491138500 /nfs/dbraw/zinc/13/85/00/491138500.db2.gz CMRKEUKRQMHIGB-WDEREUQCSA-N 1 0 243.803 3.926 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308823015 527418949 /nfs/dbraw/zinc/41/89/49/527418949.db2.gz CQJJNMXPBJLEQB-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308823018 527417760 /nfs/dbraw/zinc/41/77/60/527417760.db2.gz CQJJNMXPBJLEQB-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308823021 527426464 /nfs/dbraw/zinc/42/64/64/527426464.db2.gz CQJJNMXPBJLEQB-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308823023 527426345 /nfs/dbraw/zinc/42/63/45/527426345.db2.gz CQJJNMXPBJLEQB-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](CF)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000308823991 533702130 /nfs/dbraw/zinc/70/21/30/533702130.db2.gz CZXCTDOGJBNINT-JTQLQIEISA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CF)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000308823992 534006792 /nfs/dbraw/zinc/00/67/92/534006792.db2.gz CZXCTDOGJBNINT-SNVBAGLBSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCC1CC1 ZINC000308824020 582895208 /nfs/dbraw/zinc/89/52/08/582895208.db2.gz DBJFQIWIWYJNBU-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCC1CC1 ZINC000308824021 582895252 /nfs/dbraw/zinc/89/52/52/582895252.db2.gz DBJFQIWIWYJNBU-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCC1CC1 ZINC000308824022 582895587 /nfs/dbraw/zinc/89/55/87/582895587.db2.gz DBJFQIWIWYJNBU-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCC1CC1 ZINC000308824023 582895395 /nfs/dbraw/zinc/89/53/95/582895395.db2.gz DBJFQIWIWYJNBU-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000308825172 528268153 /nfs/dbraw/zinc/26/81/53/528268153.db2.gz ACRPZYWDCYMAHW-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000308825176 528268731 /nfs/dbraw/zinc/26/87/31/528268731.db2.gz ACRPZYWDCYMAHW-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000308825179 528474968 /nfs/dbraw/zinc/47/49/68/528474968.db2.gz ACRPZYWDCYMAHW-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000308825182 528476730 /nfs/dbraw/zinc/47/67/30/528476730.db2.gz ACRPZYWDCYMAHW-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(Cl)o1 ZINC000308825914 385195083 /nfs/dbraw/zinc/19/50/83/385195083.db2.gz AFIAEPUFHPWJHF-SECBINFHSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(Cl)o1 ZINC000308825916 385194886 /nfs/dbraw/zinc/19/48/86/385194886.db2.gz AFIAEPUFHPWJHF-VIFPVBQESA-N 1 0 227.735 3.601 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000308826423 491138243 /nfs/dbraw/zinc/13/82/43/491138243.db2.gz DTWDDNZATNYBJG-JTQLQIEISA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000308826425 491138283 /nfs/dbraw/zinc/13/82/83/491138283.db2.gz DTWDDNZATNYBJG-SNVBAGLBSA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)SCC[NH2+]C1CCC(C)(C)CC1 ZINC000308826909 167330852 /nfs/dbraw/zinc/33/08/52/167330852.db2.gz RQCIWIBNKBTHJV-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000308827769 527445340 /nfs/dbraw/zinc/44/53/40/527445340.db2.gz APGIYSTUMVQCFH-KBPBESRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000308827772 527444668 /nfs/dbraw/zinc/44/46/68/527444668.db2.gz APGIYSTUMVQCFH-KGLIPLIRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000308827774 527444648 /nfs/dbraw/zinc/44/46/48/527444648.db2.gz APGIYSTUMVQCFH-UONOGXRCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000308827775 527445364 /nfs/dbraw/zinc/44/53/64/527445364.db2.gz APGIYSTUMVQCFH-ZIAGYGMSSA-N 1 0 207.361 3.511 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C\Cl)c1 ZINC000308827845 631675700 /nfs/dbraw/zinc/67/57/00/631675700.db2.gz AQXOBAZIGJIHFE-DJFZKKHWSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C/C=C\Cl)c1 ZINC000308827848 631675302 /nfs/dbraw/zinc/67/53/02/631675302.db2.gz AQXOBAZIGJIHFE-KMSCOEIWSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C/C=C/Cl)c1 ZINC000308827851 631675193 /nfs/dbraw/zinc/67/51/93/631675193.db2.gz AQXOBAZIGJIHFE-NTYUQYKDSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C/Cl)c1 ZINC000308827854 631675921 /nfs/dbraw/zinc/67/59/21/631675921.db2.gz AQXOBAZIGJIHFE-RPTYSRGTSA-N 1 0 223.747 3.707 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1CC1 ZINC000308828304 491138301 /nfs/dbraw/zinc/13/83/01/491138301.db2.gz FGPMQNBURLELCV-AAEUAGOBSA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1CC1 ZINC000308828305 491138318 /nfs/dbraw/zinc/13/83/18/491138318.db2.gz FGPMQNBURLELCV-DGCLKSJQSA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1CC1 ZINC000308828307 491138310 /nfs/dbraw/zinc/13/83/10/491138310.db2.gz FGPMQNBURLELCV-WCQYABFASA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1CC1 ZINC000308828308 491138362 /nfs/dbraw/zinc/13/83/62/491138362.db2.gz FGPMQNBURLELCV-YPMHNXCESA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000308828539 528320179 /nfs/dbraw/zinc/32/01/79/528320179.db2.gz SDYRLHNFZZFVBE-AGIUHOORSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000308828540 528320922 /nfs/dbraw/zinc/32/09/22/528320922.db2.gz SDYRLHNFZZFVBE-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000308828541 528320599 /nfs/dbraw/zinc/32/05/99/528320599.db2.gz SDYRLHNFZZFVBE-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000308828542 528320931 /nfs/dbraw/zinc/32/09/31/528320931.db2.gz SDYRLHNFZZFVBE-UPJWGTAASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)=CCCNc1cc[nH+]c(C)c1Cl ZINC000308830127 188165557 /nfs/dbraw/zinc/16/55/57/188165557.db2.gz FXIABLLWACFYGR-UHFFFAOYSA-N 1 0 224.735 3.812 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000308830704 631676918 /nfs/dbraw/zinc/67/69/18/631676918.db2.gz TUYOPYVRCOXRRZ-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000308830705 631677760 /nfs/dbraw/zinc/67/77/60/631677760.db2.gz TUYOPYVRCOXRRZ-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000308830706 631678320 /nfs/dbraw/zinc/67/83/20/631678320.db2.gz TUYOPYVRCOXRRZ-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000308830707 631885352 /nfs/dbraw/zinc/88/53/52/631885352.db2.gz TUYOPYVRCOXRRZ-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C12CCC(CC1)C2 ZINC000308830966 631677521 /nfs/dbraw/zinc/67/75/21/631677521.db2.gz AJPLRSRDTRONCF-HSBZDZAISA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C12CCC(CC1)C2 ZINC000308830968 631676980 /nfs/dbraw/zinc/67/69/80/631676980.db2.gz AJPLRSRDTRONCF-IYXRBSQSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCCC[NH2+]C1CC2(CCC2)C1 ZINC000308831024 631887881 /nfs/dbraw/zinc/88/78/81/631887881.db2.gz GFZVSVDJHGKAOQ-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000308831395 527443565 /nfs/dbraw/zinc/44/35/65/527443565.db2.gz GHDFLPBZDIGYNB-UHFFFAOYSA-N 1 0 223.747 3.704 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCCC1CC1 ZINC000308831873 491138625 /nfs/dbraw/zinc/13/86/25/491138625.db2.gz GMRHNICPSYXMBA-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCCC1CC1 ZINC000308831875 491138611 /nfs/dbraw/zinc/13/86/11/491138611.db2.gz GMRHNICPSYXMBA-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@H](C)CC1 ZINC000308832183 491138610 /nfs/dbraw/zinc/13/86/10/491138610.db2.gz GOTGPKMXSUSVAF-AAVRWANBSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](C)CC1 ZINC000308832184 491138624 /nfs/dbraw/zinc/13/86/24/491138624.db2.gz GOTGPKMXSUSVAF-SYQHCUMBSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@H](C)CC1 ZINC000308832185 491138599 /nfs/dbraw/zinc/13/85/99/491138599.db2.gz GOTGPKMXSUSVAF-XDQVBPFNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](C)CC1 ZINC000308832186 491081823 /nfs/dbraw/zinc/08/18/23/491081823.db2.gz GOTGPKMXSUSVAF-XUXIUFHCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]C1CCC1 ZINC000308833092 533827291 /nfs/dbraw/zinc/82/72/91/533827291.db2.gz GZXWLYCWHOAHLI-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]C1CCC1 ZINC000308833093 229252584 /nfs/dbraw/zinc/25/25/84/229252584.db2.gz GZXWLYCWHOAHLI-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000308833967 529032957 /nfs/dbraw/zinc/03/29/57/529032957.db2.gz KLWZCMAXTNKXST-JTQLQIEISA-N 1 0 243.803 3.722 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000308833968 529051521 /nfs/dbraw/zinc/05/15/21/529051521.db2.gz KLWZCMAXTNKXST-SNVBAGLBSA-N 1 0 243.803 3.722 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccsc1 ZINC000308834480 487546729 /nfs/dbraw/zinc/54/67/29/487546729.db2.gz HOJYVGSXWMCZEC-CMPLNLGQSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCC2)c1ccsc1 ZINC000308834481 487547106 /nfs/dbraw/zinc/54/71/06/487547106.db2.gz HOJYVGSXWMCZEC-JQWIXIFHSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccsc1 ZINC000308834482 487547238 /nfs/dbraw/zinc/54/72/38/487547238.db2.gz HOJYVGSXWMCZEC-PWSUYJOCSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccsc1 ZINC000308834483 487546751 /nfs/dbraw/zinc/54/67/51/487546751.db2.gz HOJYVGSXWMCZEC-ZYHUDNBSSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCC1=CCCCCC1 ZINC000308834898 229252347 /nfs/dbraw/zinc/25/23/47/229252347.db2.gz HSQSQQQLSLOCLE-GXTWGEPZSA-N 1 0 207.361 3.513 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCC1=CCCCCC1 ZINC000308834899 229251818 /nfs/dbraw/zinc/25/18/18/229251818.db2.gz HSQSQQQLSLOCLE-JSGCOSHPSA-N 1 0 207.361 3.513 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCC1=CCCCCC1 ZINC000308834900 534029473 /nfs/dbraw/zinc/02/94/73/534029473.db2.gz HSQSQQQLSLOCLE-OCCSQVGLSA-N 1 0 207.361 3.513 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCC1=CCCCCC1 ZINC000308834901 533726245 /nfs/dbraw/zinc/72/62/45/533726245.db2.gz HSQSQQQLSLOCLE-TZMCWYRMSA-N 1 0 207.361 3.513 20 0 BHADRO C[C@@H]([NH2+]CCCCF)C1CCCCCC1 ZINC000308835102 229252610 /nfs/dbraw/zinc/25/26/10/229252610.db2.gz WAKDJWJROSNXHF-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)([NH2+]CCC(F)(F)F)c1cccs1 ZINC000308835457 527289369 /nfs/dbraw/zinc/28/93/69/527289369.db2.gz HXEGHSRVLSZVHJ-UHFFFAOYSA-N 1 0 237.290 3.525 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccs1 ZINC000308836316 526673667 /nfs/dbraw/zinc/67/36/67/526673667.db2.gz IIECZDHYBHSHHJ-NEPJUHHUSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1cccs1 ZINC000308836317 526733970 /nfs/dbraw/zinc/73/39/70/526733970.db2.gz IIECZDHYBHSHHJ-NWDGAFQWSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccs1 ZINC000308836318 526733668 /nfs/dbraw/zinc/73/36/68/526733668.db2.gz IIECZDHYBHSHHJ-RYUDHWBXSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccs1 ZINC000308836319 526673676 /nfs/dbraw/zinc/67/36/76/526673676.db2.gz IIECZDHYBHSHHJ-VXGBXAGGSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000308836905 528320946 /nfs/dbraw/zinc/32/09/46/528320946.db2.gz WWRDATKSXCYYJQ-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000308836906 528320993 /nfs/dbraw/zinc/32/09/93/528320993.db2.gz WWRDATKSXCYYJQ-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000308836907 528320052 /nfs/dbraw/zinc/32/00/52/528320052.db2.gz WWRDATKSXCYYJQ-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000308836908 528320531 /nfs/dbraw/zinc/32/05/31/528320531.db2.gz WWRDATKSXCYYJQ-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CCC1 ZINC000308837043 229252546 /nfs/dbraw/zinc/25/25/46/229252546.db2.gz INLFKACTYHMUBC-SECBINFHSA-N 1 0 243.803 3.865 20 0 BHADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1CCC1 ZINC000308837044 533655192 /nfs/dbraw/zinc/65/51/92/533655192.db2.gz INLFKACTYHMUBC-VIFPVBQESA-N 1 0 243.803 3.865 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000308838185 323179828 /nfs/dbraw/zinc/17/98/28/323179828.db2.gz IZLVHNSWYLSWPA-GFCCVEGCSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000308838187 323179910 /nfs/dbraw/zinc/17/99/10/323179910.db2.gz IZLVHNSWYLSWPA-LBPRGKRZSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000308840036 528066263 /nfs/dbraw/zinc/06/62/63/528066263.db2.gz JQTVPNMPQZFNBS-UHFFFAOYSA-N 1 0 205.345 3.556 20 0 BHADRO CC(C)([NH2+]CCCCCF)c1cccs1 ZINC000308840429 527291079 /nfs/dbraw/zinc/29/10/79/527291079.db2.gz JUKLFXKOKMNHNI-UHFFFAOYSA-N 1 0 229.364 3.713 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1(C2CC2)CC1 ZINC000308840452 348771828 /nfs/dbraw/zinc/77/18/28/348771828.db2.gz JVIJKJUXZGHYHI-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1(C2CC2)CC1 ZINC000308840453 348772025 /nfs/dbraw/zinc/77/20/25/348772025.db2.gz JVIJKJUXZGHYHI-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](C[NH2+]C1CCCC1)C1CCCCC1 ZINC000308840464 348772176 /nfs/dbraw/zinc/77/21/76/348772176.db2.gz JVQCYQWOCYKRBI-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](C[NH2+]C1CCCC1)C1CCCCC1 ZINC000308840465 348772003 /nfs/dbraw/zinc/77/20/03/348772003.db2.gz JVQCYQWOCYKRBI-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[C@H]1C ZINC000308840761 229252447 /nfs/dbraw/zinc/25/24/47/229252447.db2.gz JYFGIOFUYNFFBA-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000308840765 229252471 /nfs/dbraw/zinc/25/24/71/229252471.db2.gz JYFGIOFUYNFFBA-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[C@@H]1C ZINC000308840768 229251942 /nfs/dbraw/zinc/25/19/42/229251942.db2.gz JYFGIOFUYNFFBA-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H]1C ZINC000308840771 229251917 /nfs/dbraw/zinc/25/19/17/229251917.db2.gz JYFGIOFUYNFFBA-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccccc1Cl ZINC000308840785 259341001 /nfs/dbraw/zinc/34/10/01/259341001.db2.gz JYIYOEQLPBNVFM-UHFFFAOYSA-N 1 0 225.763 3.864 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000308842266 631691297 /nfs/dbraw/zinc/69/12/97/631691297.db2.gz KOFRQNPBMBXEOM-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000308842267 631690363 /nfs/dbraw/zinc/69/03/63/631690363.db2.gz KOFRQNPBMBXEOM-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000308842268 631691602 /nfs/dbraw/zinc/69/16/02/631691602.db2.gz KOFRQNPBMBXEOM-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000308842269 631690973 /nfs/dbraw/zinc/69/09/73/631690973.db2.gz KOFRQNPBMBXEOM-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)C1CCCC1 ZINC000308842974 533825133 /nfs/dbraw/zinc/82/51/33/533825133.db2.gz KTPJTETYYBLSLO-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)C1CCCC1 ZINC000308842976 533496582 /nfs/dbraw/zinc/49/65/82/533496582.db2.gz KTPJTETYYBLSLO-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)C1CCCC1 ZINC000308842977 229252131 /nfs/dbraw/zinc/25/21/31/229252131.db2.gz KTPJTETYYBLSLO-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)C1CCCC1 ZINC000308842979 229252473 /nfs/dbraw/zinc/25/24/73/229252473.db2.gz KTPJTETYYBLSLO-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000308843045 491138795 /nfs/dbraw/zinc/13/87/95/491138795.db2.gz KVBAIIABAQEVTM-CHWSQXEVSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000308843047 491138777 /nfs/dbraw/zinc/13/87/77/491138777.db2.gz KVBAIIABAQEVTM-OLZOCXBDSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000308843050 491138819 /nfs/dbraw/zinc/13/88/19/491138819.db2.gz KVBAIIABAQEVTM-QWHCGFSZSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000308843052 491138764 /nfs/dbraw/zinc/13/87/64/491138764.db2.gz KVBAIIABAQEVTM-STQMWFEESA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)CSCCC[NH2+]C1CC(C)(C)C1 ZINC000308843766 528218895 /nfs/dbraw/zinc/21/88/95/528218895.db2.gz LDMVEEIWRMUUKO-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[NH2+]Cc1ccc2sccc2c1 ZINC000308844052 528066554 /nfs/dbraw/zinc/06/65/54/528066554.db2.gz LICXQQOTVCFGGY-UHFFFAOYSA-N 1 0 219.353 3.647 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000308844318 527425275 /nfs/dbraw/zinc/42/52/75/527425275.db2.gz LLBHDWLHHPVTHP-JTQLQIEISA-N 1 0 217.303 3.509 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000308844319 527416981 /nfs/dbraw/zinc/41/69/81/527416981.db2.gz LLBHDWLHHPVTHP-SNVBAGLBSA-N 1 0 217.303 3.509 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C)C1CCC1 ZINC000308844516 187649617 /nfs/dbraw/zinc/64/96/17/187649617.db2.gz LOCLTZGGUGCIIN-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C)C1CCC1 ZINC000308844518 385207157 /nfs/dbraw/zinc/20/71/57/385207157.db2.gz LOCLTZGGUGCIIN-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308844815 528418844 /nfs/dbraw/zinc/41/88/44/528418844.db2.gz ZTMGWELGQWBQKD-LLVKDONJSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308844818 528971437 /nfs/dbraw/zinc/97/14/37/528971437.db2.gz ZTMGWELGQWBQKD-NSHDSACASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308845242 491138822 /nfs/dbraw/zinc/13/88/22/491138822.db2.gz PADQGNDZTYDFJS-GHMZBOCLSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308845243 491138834 /nfs/dbraw/zinc/13/88/34/491138834.db2.gz PADQGNDZTYDFJS-MNOVXSKESA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308845244 491138827 /nfs/dbraw/zinc/13/88/27/491138827.db2.gz PADQGNDZTYDFJS-QWRGUYRKSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308845245 491138852 /nfs/dbraw/zinc/13/88/52/491138852.db2.gz PADQGNDZTYDFJS-WDEREUQCSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000308845929 385207162 /nfs/dbraw/zinc/20/71/62/385207162.db2.gz MEROGSJGPDFANS-NEPJUHHUSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000308845930 527426927 /nfs/dbraw/zinc/42/69/27/527426927.db2.gz MEROGSJGPDFANS-NWDGAFQWSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000308845931 527428632 /nfs/dbraw/zinc/42/86/32/527428632.db2.gz MEROGSJGPDFANS-RYUDHWBXSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000308845932 527418491 /nfs/dbraw/zinc/41/84/91/527418491.db2.gz MEROGSJGPDFANS-VXGBXAGGSA-N 1 0 227.417 3.605 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](CC)CC(F)(F)F ZINC000308846568 528924552 /nfs/dbraw/zinc/92/45/52/528924552.db2.gz AJQWJURRVYBOCJ-NXEZZACHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CC)CC(F)(F)F ZINC000308846570 528106954 /nfs/dbraw/zinc/10/69/54/528106954.db2.gz AJQWJURRVYBOCJ-UWVGGRQHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CC)CC(F)(F)F ZINC000308846571 528106860 /nfs/dbraw/zinc/10/68/60/528106860.db2.gz AJQWJURRVYBOCJ-VHSXEESVSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](CC)CC(F)(F)F ZINC000308846573 528924057 /nfs/dbraw/zinc/92/40/57/528924057.db2.gz AJQWJURRVYBOCJ-ZJUUUORDSA-N 1 0 225.298 3.886 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308847282 229253337 /nfs/dbraw/zinc/25/33/37/229253337.db2.gz MTGCAYHDVHERLR-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308847285 533825020 /nfs/dbraw/zinc/82/50/20/533825020.db2.gz MTGCAYHDVHERLR-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308847287 229253376 /nfs/dbraw/zinc/25/33/76/229253376.db2.gz MTGCAYHDVHERLR-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308847289 229253435 /nfs/dbraw/zinc/25/34/35/229253435.db2.gz MTGCAYHDVHERLR-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000308848524 526673674 /nfs/dbraw/zinc/67/36/74/526673674.db2.gz NDMVEEAVPKQEDF-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000308848525 526733114 /nfs/dbraw/zinc/73/31/14/526733114.db2.gz NDMVEEAVPKQEDF-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000308848526 526733349 /nfs/dbraw/zinc/73/33/49/526733349.db2.gz NDMVEEAVPKQEDF-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000308848527 526673367 /nfs/dbraw/zinc/67/33/67/526673367.db2.gz NDMVEEAVPKQEDF-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)CF)C1 ZINC000308848546 528382694 /nfs/dbraw/zinc/38/26/94/528382694.db2.gz NELDSTQUDRRQPR-AGIUHOORSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)CF)C1 ZINC000308848547 528382209 /nfs/dbraw/zinc/38/22/09/528382209.db2.gz NELDSTQUDRRQPR-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)CF)C1 ZINC000308848548 528382644 /nfs/dbraw/zinc/38/26/44/528382644.db2.gz NELDSTQUDRRQPR-FRRDWIJNSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CF)C1 ZINC000308848549 528380952 /nfs/dbraw/zinc/38/09/52/528380952.db2.gz NELDSTQUDRRQPR-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1[nH+]ccc(NC2CCCCC2)c1Cl ZINC000308848582 229253363 /nfs/dbraw/zinc/25/33/63/229253363.db2.gz MBHTUPCDWUCCEP-UHFFFAOYSA-N 1 0 224.735 3.788 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000308850767 348855033 /nfs/dbraw/zinc/85/50/33/348855033.db2.gz OEINNPAMQDVXDO-UHFFFAOYSA-N 1 0 225.763 3.864 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000308851190 528475056 /nfs/dbraw/zinc/47/50/56/528475056.db2.gz OLPHLGSDSDFMEE-AVGNSLFASA-N 1 0 229.433 3.541 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000308851191 528475498 /nfs/dbraw/zinc/47/54/98/528475498.db2.gz OLPHLGSDSDFMEE-RWMBFGLXSA-N 1 0 229.433 3.541 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000308851192 528476911 /nfs/dbraw/zinc/47/69/11/528476911.db2.gz OLPHLGSDSDFMEE-XQQFMLRXSA-N 1 0 229.433 3.541 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000308851193 323081544 /nfs/dbraw/zinc/08/15/44/323081544.db2.gz OLPHLGSDSDFMEE-YNEHKIRRSA-N 1 0 229.433 3.541 20 0 BHADRO Clc1cscc1C[NH2+]C(C1CC1)C1CC1 ZINC000308851332 631693776 /nfs/dbraw/zinc/69/37/76/631693776.db2.gz AEMKENGEBFBQAH-UHFFFAOYSA-N 1 0 241.787 3.680 20 0 BHADRO Cc1[nH+]ccc(N[C@@H]2CCC[C@H]2C)c1Cl ZINC000308851448 229253253 /nfs/dbraw/zinc/25/32/53/229253253.db2.gz MXFMQVHRKXNUJC-PSASIEDQSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@H]2CCC[C@H]2C)c1Cl ZINC000308851450 229253726 /nfs/dbraw/zinc/25/37/26/229253726.db2.gz MXFMQVHRKXNUJC-SCZZXKLOSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@@H]2CCC[C@@H]2C)c1Cl ZINC000308851452 229253771 /nfs/dbraw/zinc/25/37/71/229253771.db2.gz MXFMQVHRKXNUJC-WCBMZHEXSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@H]2CCC[C@@H]2C)c1Cl ZINC000308851454 229253830 /nfs/dbraw/zinc/25/38/30/229253830.db2.gz MXFMQVHRKXNUJC-WPRPVWTQSA-N 1 0 224.735 3.644 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000308852329 526672739 /nfs/dbraw/zinc/67/27/39/526672739.db2.gz OTWVVHOZSKPOSS-NEPJUHHUSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccsc1 ZINC000308852330 526733823 /nfs/dbraw/zinc/73/38/23/526733823.db2.gz OTWVVHOZSKPOSS-NWDGAFQWSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000308852331 526733632 /nfs/dbraw/zinc/73/36/32/526733632.db2.gz OTWVVHOZSKPOSS-RYUDHWBXSA-N 1 0 223.385 3.662 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccsc1 ZINC000308852332 526673876 /nfs/dbraw/zinc/67/38/76/526673876.db2.gz OTWVVHOZSKPOSS-VXGBXAGGSA-N 1 0 223.385 3.662 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)C1CCCCCC1 ZINC000308852346 533354986 /nfs/dbraw/zinc/35/49/86/533354986.db2.gz OUFUFKJKWUXTSJ-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)C1CCCCCC1 ZINC000308852348 229253784 /nfs/dbraw/zinc/25/37/84/229253784.db2.gz OUFUFKJKWUXTSJ-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)[C@@H]([NH2+]CC(C)(C)C(C)C)C1CC1 ZINC000308853935 323180145 /nfs/dbraw/zinc/18/01/45/323180145.db2.gz PHBWTWYTAVSLBB-CYBMUJFWSA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)[C@H]([NH2+]CC(C)(C)C(C)C)C1CC1 ZINC000308853937 323180163 /nfs/dbraw/zinc/18/01/63/323180163.db2.gz PHBWTWYTAVSLBB-ZDUSSCGKSA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)C([NH2+]CCc1cccs1)C(C)C ZINC000308854639 631949841 /nfs/dbraw/zinc/94/98/41/631949841.db2.gz ICTPHOGIXBHINO-UHFFFAOYSA-N 1 0 225.401 3.561 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308855651 528555062 /nfs/dbraw/zinc/55/50/62/528555062.db2.gz ILMYOXZMTQVTIB-AWEZNQCLSA-N 1 0 205.345 3.836 20 0 BHADRO CCCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000308855652 528556107 /nfs/dbraw/zinc/55/61/07/528556107.db2.gz ILMYOXZMTQVTIB-CQSZACIVSA-N 1 0 205.345 3.836 20 0 BHADRO C1=CCC([NH2+]CCC2CCCCCC2)C1 ZINC000308856538 491139067 /nfs/dbraw/zinc/13/90/67/491139067.db2.gz TXLNJEOQWUURHA-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCSC1)CC(C)(C)C ZINC000308857132 533945591 /nfs/dbraw/zinc/94/55/91/533945591.db2.gz QFPMJFGECPBUBA-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCSC1)CC(C)(C)C ZINC000308857133 533610707 /nfs/dbraw/zinc/61/07/07/533610707.db2.gz QFPMJFGECPBUBA-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCSC1)CC(C)(C)C ZINC000308857134 533611619 /nfs/dbraw/zinc/61/16/19/533611619.db2.gz QFPMJFGECPBUBA-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCSC1)CC(C)(C)C ZINC000308857135 533942750 /nfs/dbraw/zinc/94/27/50/533942750.db2.gz QFPMJFGECPBUBA-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308857829 527741548 /nfs/dbraw/zinc/74/15/48/527741548.db2.gz QNILGNVLNGYMID-JTQLQIEISA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308857834 527743331 /nfs/dbraw/zinc/74/33/31/527743331.db2.gz QNILGNVLNGYMID-SNVBAGLBSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)(C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000308857846 527688410 /nfs/dbraw/zinc/68/84/10/527688410.db2.gz IXYCGURVTGKTAH-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000308857913 487938364 /nfs/dbraw/zinc/93/83/64/487938364.db2.gz QNUUGYANOYUYLT-SECBINFHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000308857918 487938352 /nfs/dbraw/zinc/93/83/52/487938352.db2.gz QNUUGYANOYUYLT-VIFPVBQESA-N 1 0 225.298 3.599 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)CCC1CC1 ZINC000308858004 229253462 /nfs/dbraw/zinc/25/34/62/229253462.db2.gz QOKFSSAOBVGWLG-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)CCC1CC1 ZINC000308858009 229253399 /nfs/dbraw/zinc/25/33/99/229253399.db2.gz QOKFSSAOBVGWLG-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1CC12CCCC2 ZINC000308858813 491139159 /nfs/dbraw/zinc/13/91/59/491139159.db2.gz ADQFQFQMYWMNNH-LLVKDONJSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1cscc1C[NH2+][C@H]1CC12CCCC2 ZINC000308858815 582896547 /nfs/dbraw/zinc/89/65/47/582896547.db2.gz ADQFQFQMYWMNNH-NSHDSACASA-N 1 0 241.787 3.824 20 0 BHADRO Clc1csc(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000308858818 229253017 /nfs/dbraw/zinc/25/30/17/229253017.db2.gz ADSDUYZRPAIKPJ-LLVKDONJSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1csc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000308858821 229253894 /nfs/dbraw/zinc/25/38/94/229253894.db2.gz ADSDUYZRPAIKPJ-NSHDSACASA-N 1 0 241.787 3.824 20 0 BHADRO CC(C)(C)[NH2+]Cc1cscc1C(F)(F)F ZINC000308858954 385223073 /nfs/dbraw/zinc/22/30/73/385223073.db2.gz JFPYTPXNQYLVLS-UHFFFAOYSA-N 1 0 237.290 3.655 20 0 BHADRO CC(C)C([NH2+]Cc1ncc(Cl)s1)C(C)C ZINC000308859388 582896488 /nfs/dbraw/zinc/89/64/88/582896488.db2.gz QZYLEARRYKOFNG-UHFFFAOYSA-N 1 0 246.807 3.567 20 0 BHADRO Clc1cccc(CC[NH2+]CC2CC2)c1Cl ZINC000308859724 229253529 /nfs/dbraw/zinc/25/35/29/229253529.db2.gz ZEPTWFPPYRSIDG-UHFFFAOYSA-N 1 0 244.165 3.536 20 0 BHADRO Clc1sccc1C[NH2+]C12CCC(CC1)C2 ZINC000308860243 631969618 /nfs/dbraw/zinc/96/96/18/631969618.db2.gz BEGXLMVCTKWUTK-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1cccs1)C(F)(F)F ZINC000308860810 534126358 /nfs/dbraw/zinc/12/63/58/534126358.db2.gz RJAGCEWUWXUMCM-HTQZYQBOSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccs1 ZINC000308860812 323081445 /nfs/dbraw/zinc/08/14/45/323081445.db2.gz RJAGCEWUWXUMCM-JGVFFNPUSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccs1)C(F)(F)F ZINC000308860814 229253678 /nfs/dbraw/zinc/25/36/78/229253678.db2.gz RJAGCEWUWXUMCM-SFYZADRCSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccs1)C(F)(F)F ZINC000308860816 323081419 /nfs/dbraw/zinc/08/14/19/323081419.db2.gz RJAGCEWUWXUMCM-YUMQZZPRSA-N 1 0 237.290 3.597 20 0 BHADRO CCC(CC)[NH2+]C(C1CCC1)C1CCC1 ZINC000308861502 528802511 /nfs/dbraw/zinc/80/25/11/528802511.db2.gz JUZJOVKNCYPYPE-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C1(C[NH2+]Cc2sccc2Cl)CC1 ZINC000308865572 527614797 /nfs/dbraw/zinc/61/47/97/527614797.db2.gz KZHVWBVHMZNDJB-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC23CCCC3)s1 ZINC000308866301 229254240 /nfs/dbraw/zinc/25/42/40/229254240.db2.gz FQMNXQPJKIVPFZ-JTQLQIEISA-N 1 0 241.787 3.824 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC23CCCC3)s1 ZINC000308866302 229254861 /nfs/dbraw/zinc/25/48/61/229254861.db2.gz FQMNXQPJKIVPFZ-SNVBAGLBSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1sccc1C[NH2+]CCC1=CCCC1 ZINC000308867572 385225213 /nfs/dbraw/zinc/22/52/13/385225213.db2.gz GRLHBAQDSGAEIS-UHFFFAOYSA-N 1 0 241.787 3.992 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000308867678 633824720 /nfs/dbraw/zinc/82/47/20/633824720.db2.gz RFYPRWARUAZOFX-AGIUHOORSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308867679 632012627 /nfs/dbraw/zinc/01/26/27/632012627.db2.gz RFYPRWARUAZOFX-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308867680 632012921 /nfs/dbraw/zinc/01/29/21/632012921.db2.gz RFYPRWARUAZOFX-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308867681 632012379 /nfs/dbraw/zinc/01/23/79/632012379.db2.gz RFYPRWARUAZOFX-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC000308868087 632013957 /nfs/dbraw/zinc/01/39/57/632013957.db2.gz RJCWBMDOASWXGP-SECBINFHSA-N 1 0 246.807 3.807 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC000308868388 631697862 /nfs/dbraw/zinc/69/78/62/631697862.db2.gz RJCWBMDOASWXGP-VIFPVBQESA-N 1 0 246.807 3.807 20 0 BHADRO CCC1(CNc2cc[nH+]c(C)c2Cl)CC1 ZINC000308869497 385225729 /nfs/dbraw/zinc/22/57/29/385225729.db2.gz RTBSFPBMJNHAHX-UHFFFAOYSA-N 1 0 224.735 3.646 20 0 BHADRO CC1(C)CCC(C[NH2+]C2CC=CC2)CC1 ZINC000308873693 491139496 /nfs/dbraw/zinc/13/94/96/491139496.db2.gz CKCNAVDCOGWUHB-UHFFFAOYSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC1(C)CC1 ZINC000308876052 533772932 /nfs/dbraw/zinc/77/29/32/533772932.db2.gz SHAVQRPTULJEPE-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC1(C)CC1 ZINC000308876053 533508451 /nfs/dbraw/zinc/50/84/51/533508451.db2.gz SHAVQRPTULJEPE-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO Clc1ccsc1C[NH2+]C12CCC(CC1)C2 ZINC000308877202 632062949 /nfs/dbraw/zinc/06/29/49/632062949.db2.gz NZOHFIWCNGNHIJ-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ncc(Cl)s1 ZINC000308877608 385243246 /nfs/dbraw/zinc/24/32/46/385243246.db2.gz BYGHKURRFFIZBE-UHFFFAOYSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CC1)C1CCCCC1 ZINC000308878435 353587078 /nfs/dbraw/zinc/58/70/78/353587078.db2.gz SULTVMGSTDSUEE-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CC1)C1CCCCC1 ZINC000308878438 353586938 /nfs/dbraw/zinc/58/69/38/353586938.db2.gz SULTVMGSTDSUEE-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CC1)C1CCCCC1 ZINC000308878441 353586833 /nfs/dbraw/zinc/58/68/33/353586833.db2.gz SULTVMGSTDSUEE-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C1CC1 ZINC000308878444 323180504 /nfs/dbraw/zinc/18/05/04/323180504.db2.gz SULTVMGSTDSUEE-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+]C(C)(C)CC(F)(F)F ZINC000308879420 491139376 /nfs/dbraw/zinc/13/93/76/491139376.db2.gz TWJKMRHSMLDBSQ-UHFFFAOYSA-N 1 0 225.298 3.743 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccco1 ZINC000308879479 176616736 /nfs/dbraw/zinc/61/67/36/176616736.db2.gz TXXPWEZHCVWVOP-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccco1 ZINC000308879480 410785169 /nfs/dbraw/zinc/78/51/69/410785169.db2.gz TXXPWEZHCVWVOP-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccco1 ZINC000308879481 410786010 /nfs/dbraw/zinc/78/60/10/410786010.db2.gz TXXPWEZHCVWVOP-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccco1 ZINC000308879482 410785335 /nfs/dbraw/zinc/78/53/35/410785335.db2.gz TXXPWEZHCVWVOP-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO FCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000308879667 229254452 /nfs/dbraw/zinc/25/44/52/229254452.db2.gz PKPVVMXCPWKTNK-UHFFFAOYSA-N 1 0 248.128 3.542 20 0 BHADRO CCCC(CCC)[NH2+]Cc1occc1C ZINC000308880481 528000081 /nfs/dbraw/zinc/00/00/81/528000081.db2.gz DYSGSQCOTFXPGH-UHFFFAOYSA-N 1 0 209.333 3.646 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C=CCCC1 ZINC000308883513 533810747 /nfs/dbraw/zinc/81/07/47/533810747.db2.gz VCIZXTDQERHQIH-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1C=CCCC1 ZINC000308883514 385239939 /nfs/dbraw/zinc/23/99/39/385239939.db2.gz VCIZXTDQERHQIH-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1C=CCCC1 ZINC000308883515 533521377 /nfs/dbraw/zinc/52/13/77/533521377.db2.gz VCIZXTDQERHQIH-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1C=CCCC1 ZINC000308883851 533521130 /nfs/dbraw/zinc/52/11/30/533521130.db2.gz VCIZXTDQERHQIH-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(F)(F)C1 ZINC000308884424 533812003 /nfs/dbraw/zinc/81/20/03/533812003.db2.gz VGVYWNDEQFNETE-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(F)(F)C1 ZINC000308884425 533520116 /nfs/dbraw/zinc/52/01/16/533520116.db2.gz VGVYWNDEQFNETE-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)([NH2+]C/C=C\Cl)c1cccc(Cl)c1 ZINC000308884519 631716644 /nfs/dbraw/zinc/71/66/44/631716644.db2.gz VJNXTFPKVAGSDI-DAXSKMNVSA-N 1 0 244.165 3.917 20 0 BHADRO CC(C)([NH2+]C/C=C/Cl)c1cccc(Cl)c1 ZINC000308884521 631716697 /nfs/dbraw/zinc/71/66/97/631716697.db2.gz VJNXTFPKVAGSDI-QPJJXVBHSA-N 1 0 244.165 3.917 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1ccco1)C(C)C ZINC000308885619 491139634 /nfs/dbraw/zinc/13/96/34/491139634.db2.gz PRNLFQJQFIAQLD-LLVKDONJSA-N 1 0 209.333 3.611 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1ccco1)C(C)C ZINC000308885620 491139627 /nfs/dbraw/zinc/13/96/27/491139627.db2.gz PRNLFQJQFIAQLD-NSHDSACASA-N 1 0 209.333 3.611 20 0 BHADRO Clc1ccc(C[NH2+]C23CCC(CC2)C3)s1 ZINC000308886134 632083016 /nfs/dbraw/zinc/08/30/16/632083016.db2.gz SYXKONGVPGZIFO-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1sccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000308886797 229255546 /nfs/dbraw/zinc/25/55/46/229255546.db2.gz UHDYNKCFELQYNR-JTQLQIEISA-N 1 0 241.787 3.847 20 0 BHADRO Clc1sccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000308886800 229256823 /nfs/dbraw/zinc/25/68/23/229256823.db2.gz UHDYNKCFELQYNR-SNVBAGLBSA-N 1 0 241.787 3.847 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000308887150 527418692 /nfs/dbraw/zinc/41/86/92/527418692.db2.gz WEAWSKDGEADHSJ-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000308887151 527418988 /nfs/dbraw/zinc/41/89/88/527418988.db2.gz WEAWSKDGEADHSJ-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000308887152 527426189 /nfs/dbraw/zinc/42/61/89/527426189.db2.gz WEAWSKDGEADHSJ-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000308887153 527426264 /nfs/dbraw/zinc/42/62/64/527426264.db2.gz WEAWSKDGEADHSJ-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO Cl/C=C\C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000308887795 632085851 /nfs/dbraw/zinc/08/58/51/632085851.db2.gz UWKDYTSCHJUZKG-QPIMQUGISA-N 1 0 242.149 3.671 20 0 BHADRO Cl/C=C/C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000308887798 632085930 /nfs/dbraw/zinc/08/59/30/632085930.db2.gz UWKDYTSCHJUZKG-UNXLUWIOSA-N 1 0 242.149 3.671 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000308889661 526332658 /nfs/dbraw/zinc/33/26/58/526332658.db2.gz XDGXSRNYEUBFSL-UHFFFAOYSA-N 1 0 237.290 3.655 20 0 BHADRO FCCCC[NH2+]CCC1CCCCCC1 ZINC000308890128 229255838 /nfs/dbraw/zinc/25/58/38/229255838.db2.gz WDZBZAGHSOKUGX-UHFFFAOYSA-N 1 0 215.356 3.686 20 0 BHADRO Clc1cscc1C[NH2+]CCC1=CCCC1 ZINC000308890691 491139554 /nfs/dbraw/zinc/13/95/54/491139554.db2.gz WRRBLPTYMXKTFX-UHFFFAOYSA-N 1 0 241.787 3.992 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000308890899 349025412 /nfs/dbraw/zinc/02/54/12/349025412.db2.gz XOQMWNPVEULBRX-CYBMUJFWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000308890900 349025224 /nfs/dbraw/zinc/02/52/24/349025224.db2.gz XOQMWNPVEULBRX-ZDUSSCGKSA-N 1 0 223.385 3.581 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C)C1CCCCC1 ZINC000308891404 491139827 /nfs/dbraw/zinc/13/98/27/491139827.db2.gz XTNUVYXOVSFTTM-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)C1CCCCC1 ZINC000308891406 491139794 /nfs/dbraw/zinc/13/97/94/491139794.db2.gz XTNUVYXOVSFTTM-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)C1CCCCC1 ZINC000308891408 491139801 /nfs/dbraw/zinc/13/98/01/491139801.db2.gz XTNUVYXOVSFTTM-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)C1CCCCC1 ZINC000308891409 491139808 /nfs/dbraw/zinc/13/98/08/491139808.db2.gz XTNUVYXOVSFTTM-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC[NH2+]CC1(F)CC1)CC(C)(C)C ZINC000308891537 323181136 /nfs/dbraw/zinc/18/11/36/323181136.db2.gz XUMZRTFOJMGOBG-LLVKDONJSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](CC[NH2+]CC1(F)CC1)CC(C)(C)C ZINC000308891538 323181071 /nfs/dbraw/zinc/18/10/71/323181071.db2.gz XUMZRTFOJMGOBG-NSHDSACASA-N 1 0 215.356 3.541 20 0 BHADRO Clc1ccc(CCCC[NH2+]CC2CC2)s1 ZINC000308891871 534638058 /nfs/dbraw/zinc/63/80/58/534638058.db2.gz XGJKEAIUJKAFJG-UHFFFAOYSA-N 1 0 243.803 3.724 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000308892093 528064127 /nfs/dbraw/zinc/06/41/27/528064127.db2.gz YAFZAMNLIORURY-UHFFFAOYSA-N 1 0 237.290 3.513 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000308892120 534257713 /nfs/dbraw/zinc/25/77/13/534257713.db2.gz YBRVZXBOOMZSMG-MROQNXINSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000308892121 534258094 /nfs/dbraw/zinc/25/80/94/534258094.db2.gz YBRVZXBOOMZSMG-VOAKCMCISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000308892122 534257761 /nfs/dbraw/zinc/25/77/61/534257761.db2.gz YBRVZXBOOMZSMG-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000308892123 256604318 /nfs/dbraw/zinc/60/43/18/256604318.db2.gz YBRVZXBOOMZSMG-YVECIDJPSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1[nH+]ccc(NCCSC(C)C)c1Cl ZINC000308892517 180198677 /nfs/dbraw/zinc/19/86/77/180198677.db2.gz YIWZWMJQLYHMDU-UHFFFAOYSA-N 1 0 244.791 3.597 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000308892842 491139809 /nfs/dbraw/zinc/13/98/09/491139809.db2.gz YKAFAAQSLKUXGA-NEPJUHHUSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000308892844 491139842 /nfs/dbraw/zinc/13/98/42/491139842.db2.gz YKAFAAQSLKUXGA-NWDGAFQWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000308892846 491139907 /nfs/dbraw/zinc/13/99/07/491139907.db2.gz YKAFAAQSLKUXGA-RYUDHWBXSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000308892848 491139882 /nfs/dbraw/zinc/13/98/82/491139882.db2.gz YKAFAAQSLKUXGA-VXGBXAGGSA-N 1 0 223.385 3.581 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccoc1 ZINC000308893290 323181232 /nfs/dbraw/zinc/18/12/32/323181232.db2.gz YOALCIHGWJYEJV-GHMZBOCLSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccoc1 ZINC000308893291 323181243 /nfs/dbraw/zinc/18/12/43/323181243.db2.gz YOALCIHGWJYEJV-MNOVXSKESA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccoc1 ZINC000308893292 323181249 /nfs/dbraw/zinc/18/12/49/323181249.db2.gz YOALCIHGWJYEJV-QWRGUYRKSA-N 1 0 207.317 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccoc1 ZINC000308893293 323181227 /nfs/dbraw/zinc/18/12/27/323181227.db2.gz YOALCIHGWJYEJV-WDEREUQCSA-N 1 0 207.317 3.509 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC23CCC3)s1 ZINC000308894029 385247456 /nfs/dbraw/zinc/24/74/56/385247456.db2.gz YQKKBBUHUQPMKN-JTQLQIEISA-N 1 0 241.787 3.824 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC23CCC3)s1 ZINC000308894030 180579752 /nfs/dbraw/zinc/57/97/52/180579752.db2.gz YQKKBBUHUQPMKN-SNVBAGLBSA-N 1 0 241.787 3.824 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CF)CC1CCCCC1 ZINC000308894214 534076608 /nfs/dbraw/zinc/07/66/08/534076608.db2.gz YTDXPSGXSLTNAY-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](CF)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000308894216 534006371 /nfs/dbraw/zinc/00/63/71/534006371.db2.gz YTDXPSGXSLTNAY-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CF)CC1CCCCC1 ZINC000308894217 229256112 /nfs/dbraw/zinc/25/61/12/229256112.db2.gz YTDXPSGXSLTNAY-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CF)CC1CCCCC1 ZINC000308894219 534082591 /nfs/dbraw/zinc/08/25/91/534082591.db2.gz YTDXPSGXSLTNAY-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO FC1(CC[NH2+]Cc2cscc2Cl)CCC1 ZINC000308897314 491139936 /nfs/dbraw/zinc/13/99/36/491139936.db2.gz AABSBQSORXXNSZ-UHFFFAOYSA-N 1 0 247.766 3.773 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000308897693 349056215 /nfs/dbraw/zinc/05/62/15/349056215.db2.gz AUQKGJGDFHXOSU-GFCCVEGCSA-N 1 0 223.385 3.625 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000308897704 349056502 /nfs/dbraw/zinc/05/65/02/349056502.db2.gz AUQKGJGDFHXOSU-LBPRGKRZSA-N 1 0 223.385 3.625 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000308897786 533432512 /nfs/dbraw/zinc/43/25/12/533432512.db2.gz AUVISZQOEPOOFD-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cccs2)CC1 ZINC000308899092 529257586 /nfs/dbraw/zinc/25/75/86/529257586.db2.gz CLNSMDNUDMVGBO-HAQNSBGRSA-N 1 0 223.385 3.807 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000308900336 529249522 /nfs/dbraw/zinc/24/95/22/529249522.db2.gz BFIVZCUKWWWEQV-KBPBESRZSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000308900338 529338167 /nfs/dbraw/zinc/33/81/67/529338167.db2.gz BFIVZCUKWWWEQV-KGLIPLIRSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000308900339 529258077 /nfs/dbraw/zinc/25/80/77/529258077.db2.gz BFIVZCUKWWWEQV-UONOGXRCSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000308900340 529343691 /nfs/dbraw/zinc/34/36/91/529343691.db2.gz BFIVZCUKWWWEQV-ZIAGYGMSSA-N 1 0 207.361 3.655 20 0 BHADRO CCCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000308900815 632109696 /nfs/dbraw/zinc/10/96/96/632109696.db2.gz BHDWBNIWAIQLTO-AWEZNQCLSA-N 1 0 205.345 3.702 20 0 BHADRO CCCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000308900816 632109370 /nfs/dbraw/zinc/10/93/70/632109370.db2.gz BHDWBNIWAIQLTO-CQSZACIVSA-N 1 0 205.345 3.702 20 0 BHADRO C[C@H]([NH2+]CCCCCF)C1CCCCC1 ZINC000308902164 229256604 /nfs/dbraw/zinc/25/66/04/229256604.db2.gz CKAPSDADKWOUGK-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1Cl ZINC000308903044 533437163 /nfs/dbraw/zinc/43/71/63/533437163.db2.gz BTWADYFWUHSRBP-GMTAPVOTSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000308903046 229257054 /nfs/dbraw/zinc/25/70/54/229257054.db2.gz BTWADYFWUHSRBP-MXWKQRLJSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000308903493 533784330 /nfs/dbraw/zinc/78/43/30/533784330.db2.gz BVWDYXWRASJGJA-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)C1CC1 ZINC000308903495 533783815 /nfs/dbraw/zinc/78/38/15/533783815.db2.gz BVWDYXWRASJGJA-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]C1CCSCC1 ZINC000308904364 527616790 /nfs/dbraw/zinc/61/67/90/527616790.db2.gz DBAMZSUWSDKJGG-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)(C)C)s1 ZINC000308904994 532956129 /nfs/dbraw/zinc/95/61/29/532956129.db2.gz CGPZQTLYNSWHPA-UHFFFAOYSA-N 1 0 243.441 3.996 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccc(Cl)o1 ZINC000308905107 491050182 /nfs/dbraw/zinc/05/01/82/491050182.db2.gz CIDKGNTTYSHONR-UHFFFAOYSA-N 1 0 229.751 3.991 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC1CC1 ZINC000308906735 529312061 /nfs/dbraw/zinc/31/20/61/529312061.db2.gz CRMXJLMLVYQDNY-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC1CC1 ZINC000308906736 529322465 /nfs/dbraw/zinc/32/24/65/529322465.db2.gz CRMXJLMLVYQDNY-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000308906737 529322203 /nfs/dbraw/zinc/32/22/03/529322203.db2.gz CRMXJLMLVYQDNY-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC1CC1 ZINC000308906738 529312246 /nfs/dbraw/zinc/31/22/46/529312246.db2.gz CRMXJLMLVYQDNY-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@H]1C ZINC000308906909 632392436 /nfs/dbraw/zinc/39/24/36/632392436.db2.gz CURHEGVJWWLHKC-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000308906912 633833359 /nfs/dbraw/zinc/83/33/59/633833359.db2.gz CURHEGVJWWLHKC-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@@H]1C ZINC000308906915 631723229 /nfs/dbraw/zinc/72/32/29/631723229.db2.gz CURHEGVJWWLHKC-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@H]1C ZINC000308906919 632392128 /nfs/dbraw/zinc/39/21/28/632392128.db2.gz CURHEGVJWWLHKC-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)CSC(C)(C)C ZINC000308909801 631722272 /nfs/dbraw/zinc/72/22/72/631722272.db2.gz DKJZGJKPZKPFLN-LLVKDONJSA-N 1 0 231.449 3.932 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000308909808 631722785 /nfs/dbraw/zinc/72/27/85/631722785.db2.gz DKJZGJKPZKPFLN-NSHDSACASA-N 1 0 231.449 3.932 20 0 BHADRO CCc1ccc(C[NH2+]C2CC(CC)C2)s1 ZINC000308910437 529651723 /nfs/dbraw/zinc/65/17/23/529651723.db2.gz DOGAAVCZKAYSHQ-UHFFFAOYSA-N 1 0 223.385 3.589 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC000308911272 529257502 /nfs/dbraw/zinc/25/75/02/529257502.db2.gz WWWDQHIYROLNKJ-AULYBMBSSA-N 1 0 223.385 3.807 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC(F)(F)CC1 ZINC000308911456 528033560 /nfs/dbraw/zinc/03/35/60/528033560.db2.gz DUJMBTJOMGUGTR-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC(F)(F)CC1 ZINC000308911458 528878409 /nfs/dbraw/zinc/87/84/09/528878409.db2.gz DUJMBTJOMGUGTR-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000308911561 632411268 /nfs/dbraw/zinc/41/12/68/632411268.db2.gz DVXTYRJVPDFGSA-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000308911563 631721808 /nfs/dbraw/zinc/72/18/08/631721808.db2.gz DVXTYRJVPDFGSA-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO CCC(CC)C[NH2+]C1(C(F)F)CCCC1 ZINC000308913245 491140120 /nfs/dbraw/zinc/14/01/20/491140120.db2.gz FEXBFAJYOBRLSG-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308913456 632415112 /nfs/dbraw/zinc/41/51/12/632415112.db2.gz ZONFDMAKVVFNCC-CLRIEMFWSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CC2CCC1CC2 ZINC000308913461 632414782 /nfs/dbraw/zinc/41/47/82/632414782.db2.gz ZONFDMAKVVFNCC-HOAMVYINSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308913465 633833675 /nfs/dbraw/zinc/83/36/75/633833675.db2.gz ZONFDMAKVVFNCC-NWINJMCUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CC2CCC1CC2 ZINC000308913470 632415273 /nfs/dbraw/zinc/41/52/73/632415273.db2.gz ZONFDMAKVVFNCC-PQAZSJQKSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000308913650 533881819 /nfs/dbraw/zinc/88/18/19/533881819.db2.gz AUVISZQOEPOOFD-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO FCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000308913711 229259125 /nfs/dbraw/zinc/25/91/25/229259125.db2.gz GKFYUPVWNPGMBZ-LLVKDONJSA-N 1 0 248.128 3.540 20 0 BHADRO FCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000308913716 229259370 /nfs/dbraw/zinc/25/93/70/229259370.db2.gz GKFYUPVWNPGMBZ-NSHDSACASA-N 1 0 248.128 3.540 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000308913745 533905112 /nfs/dbraw/zinc/90/51/12/533905112.db2.gz AUVISZQOEPOOFD-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000308913760 533418274 /nfs/dbraw/zinc/41/82/74/533418274.db2.gz AUVISZQOEPOOFD-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC(C)(C)C(C)(C)C ZINC000308913880 533766522 /nfs/dbraw/zinc/76/65/22/533766522.db2.gz GNVIZXSMVWLRNZ-LLVKDONJSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)C(C)(C)C ZINC000308913884 533505610 /nfs/dbraw/zinc/50/56/10/533505610.db2.gz GNVIZXSMVWLRNZ-NSHDSACASA-N 1 0 211.393 3.837 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000308914038 533337373 /nfs/dbraw/zinc/33/73/73/533337373.db2.gz AWGVJHBJAJRZRV-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000308914045 533805783 /nfs/dbraw/zinc/80/57/83/533805783.db2.gz AWGVJHBJAJRZRV-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(Cl)o1 ZINC000308915059 491140112 /nfs/dbraw/zinc/14/01/12/491140112.db2.gz BALPLTXYIWITKH-SECBINFHSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(Cl)o1 ZINC000308915061 491140116 /nfs/dbraw/zinc/14/01/16/491140116.db2.gz BALPLTXYIWITKH-VIFPVBQESA-N 1 0 227.735 3.601 20 0 BHADRO C1CC2(C1)CC([NH2+]C1CCCCCC1)C2 ZINC000308915104 526421432 /nfs/dbraw/zinc/42/14/32/526421432.db2.gz BAUUVZPHEKPVNS-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C1(C2CC2)CC1 ZINC000308915334 323181606 /nfs/dbraw/zinc/18/16/06/323181606.db2.gz FTLOQEOSNHCQQB-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C1(C2CC2)CC1 ZINC000308915338 323181507 /nfs/dbraw/zinc/18/15/07/323181507.db2.gz FTLOQEOSNHCQQB-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC1CCC1 ZINC000308916615 632430051 /nfs/dbraw/zinc/43/00/51/632430051.db2.gz BHYRZPUMVQDZHA-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC1CCC1 ZINC000308916616 631720788 /nfs/dbraw/zinc/72/07/88/631720788.db2.gz BHYRZPUMVQDZHA-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000308917012 528476541 /nfs/dbraw/zinc/47/65/41/528476541.db2.gz HUDZNUBQTGWBQY-ABXWRUBCSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308917013 528267730 /nfs/dbraw/zinc/26/77/30/528267730.db2.gz HUDZNUBQTGWBQY-BLYZHGLHSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC1(C[NH2+]CC2(C)CCC2)CC1 ZINC000308917346 491140203 /nfs/dbraw/zinc/14/02/03/491140203.db2.gz BKUPHTLBYFWICW-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000308917436 229258028 /nfs/dbraw/zinc/25/80/28/229258028.db2.gz BLTYILVGYHQDOE-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000308917437 229258457 /nfs/dbraw/zinc/25/84/57/229258457.db2.gz BLTYILVGYHQDOE-SDDRHHMPSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000308917438 229257693 /nfs/dbraw/zinc/25/76/93/229257693.db2.gz BLTYILVGYHQDOE-SRVKXCTJSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000308917439 229257875 /nfs/dbraw/zinc/25/78/75/229257875.db2.gz BLTYILVGYHQDOE-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308917582 528475108 /nfs/dbraw/zinc/47/51/08/528475108.db2.gz HUDZNUBQTGWBQY-GFJIZPEISA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000308917583 528267852 /nfs/dbraw/zinc/26/78/52/528267852.db2.gz HUDZNUBQTGWBQY-RYSNWHEDSA-N 1 0 209.377 3.589 20 0 BHADRO CCC1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000308917721 527823087 /nfs/dbraw/zinc/82/30/87/527823087.db2.gz GISPUJQZQCZFNR-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccsc1 ZINC000308917722 171423481 /nfs/dbraw/zinc/42/34/81/171423481.db2.gz GITBGRBSZOYDHV-SECBINFHSA-N 1 0 237.290 3.569 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccsc1 ZINC000308917723 385289307 /nfs/dbraw/zinc/28/93/07/385289307.db2.gz GITBGRBSZOYDHV-VIFPVBQESA-N 1 0 237.290 3.569 20 0 BHADRO CCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000308917761 528555716 /nfs/dbraw/zinc/55/57/16/528555716.db2.gz GKBDRNUUWYNKAV-CYBMUJFWSA-N 1 0 205.345 3.754 20 0 BHADRO CCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000308917762 528555014 /nfs/dbraw/zinc/55/50/14/528555014.db2.gz GKBDRNUUWYNKAV-ZDUSSCGKSA-N 1 0 205.345 3.754 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000308918310 527704932 /nfs/dbraw/zinc/70/49/32/527704932.db2.gz IBHZEDRODZLMQJ-JXQTWKCFSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000308918312 527704880 /nfs/dbraw/zinc/70/48/80/527704880.db2.gz IBHZEDRODZLMQJ-RUXDESIVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000308918666 491140212 /nfs/dbraw/zinc/14/02/12/491140212.db2.gz BSJAKTIJLBFEDJ-JTQLQIEISA-N 1 0 221.335 3.835 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000308918667 491140205 /nfs/dbraw/zinc/14/02/05/491140205.db2.gz BSJAKTIJLBFEDJ-SNVBAGLBSA-N 1 0 221.335 3.835 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308918671 349067827 /nfs/dbraw/zinc/06/78/27/349067827.db2.gz BSSZRCPQEDIRJZ-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000308918672 349068107 /nfs/dbraw/zinc/06/81/07/349068107.db2.gz BSSZRCPQEDIRJZ-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000308918673 349068006 /nfs/dbraw/zinc/06/80/06/349068006.db2.gz BSSZRCPQEDIRJZ-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000308918674 346940608 /nfs/dbraw/zinc/94/06/08/346940608.db2.gz BSSZRCPQEDIRJZ-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000308918787 349067916 /nfs/dbraw/zinc/06/79/16/349067916.db2.gz GQAWNCMJHKCTNK-SECBINFHSA-N 1 0 243.441 3.994 20 0 BHADRO Fc1ccc(C[NH2+]C2CCC2)c(Cl)c1Cl ZINC000308919114 534464544 /nfs/dbraw/zinc/46/45/44/534464544.db2.gz IFEVEQWNJWSUKJ-UHFFFAOYSA-N 1 0 248.128 3.775 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308919670 633833769 /nfs/dbraw/zinc/83/37/69/633833769.db2.gz OPLXYZPOVLKNBE-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308919671 631721823 /nfs/dbraw/zinc/72/18/23/631721823.db2.gz OPLXYZPOVLKNBE-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308919672 632441400 /nfs/dbraw/zinc/44/14/00/632441400.db2.gz OPLXYZPOVLKNBE-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308919673 632442267 /nfs/dbraw/zinc/44/22/67/632442267.db2.gz OPLXYZPOVLKNBE-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308919835 632441226 /nfs/dbraw/zinc/44/12/26/632441226.db2.gz BXZMSVUBWQPBSZ-OYVUYXNMSA-N 1 0 223.747 3.726 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308919836 632440623 /nfs/dbraw/zinc/44/06/23/632440623.db2.gz BXZMSVUBWQPBSZ-PPGNKHEKSA-N 1 0 223.747 3.726 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308919838 632441474 /nfs/dbraw/zinc/44/14/74/632441474.db2.gz BXZMSVUBWQPBSZ-XURPKSDJSA-N 1 0 223.747 3.726 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308919840 631721228 /nfs/dbraw/zinc/72/12/28/631721228.db2.gz BXZMSVUBWQPBSZ-YSKGHYERSA-N 1 0 223.747 3.726 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C\Cl)c(C)c1 ZINC000308920084 632441417 /nfs/dbraw/zinc/44/14/17/632441417.db2.gz CADKCPXRAXHIHE-DJFZKKHWSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C\Cl)c(C)c1 ZINC000308920090 632441195 /nfs/dbraw/zinc/44/11/95/632441195.db2.gz CADKCPXRAXHIHE-KMSCOEIWSA-N 1 0 223.747 3.707 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000308920203 528765773 /nfs/dbraw/zinc/76/57/73/528765773.db2.gz GWKLLZFGNBBRFJ-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000308920206 528894710 /nfs/dbraw/zinc/89/47/10/528894710.db2.gz GWKLLZFGNBBRFJ-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000308920209 528896442 /nfs/dbraw/zinc/89/64/42/528896442.db2.gz GWKLLZFGNBBRFJ-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000308920212 528764697 /nfs/dbraw/zinc/76/46/97/528764697.db2.gz GWKLLZFGNBBRFJ-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)c(C)c1 ZINC000308920411 632443197 /nfs/dbraw/zinc/44/31/97/632443197.db2.gz CADKCPXRAXHIHE-NTYUQYKDSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)c(C)c1 ZINC000308920412 631744015 /nfs/dbraw/zinc/74/40/15/631744015.db2.gz CADKCPXRAXHIHE-RPTYSRGTSA-N 1 0 223.747 3.707 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000308920444 175789298 /nfs/dbraw/zinc/78/92/98/175789298.db2.gz CBPMNRJWGUUSOS-BXKDBHETSA-N 1 0 227.348 3.537 20 0 BHADRO C[C@H](F)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000308920445 176742146 /nfs/dbraw/zinc/74/21/46/176742146.db2.gz CBPMNRJWGUUSOS-CABZTGNLSA-N 1 0 227.348 3.537 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000308920446 385293112 /nfs/dbraw/zinc/29/31/12/385293112.db2.gz CBPMNRJWGUUSOS-JOYOIKCWSA-N 1 0 227.348 3.537 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000308920447 175790174 /nfs/dbraw/zinc/79/01/74/175790174.db2.gz CBPMNRJWGUUSOS-SKDRFNHKSA-N 1 0 227.348 3.537 20 0 BHADRO CCC[C@@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308920710 528899218 /nfs/dbraw/zinc/89/92/18/528899218.db2.gz ZBRFVRPNYIVQSE-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308920714 528064604 /nfs/dbraw/zinc/06/46/04/528064604.db2.gz ZBRFVRPNYIVQSE-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC(F)(F)F ZINC000308922112 533811933 /nfs/dbraw/zinc/81/19/33/533811933.db2.gz KOQSEWCTYWRAFJ-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC(F)(F)F ZINC000308922113 533520091 /nfs/dbraw/zinc/52/00/91/533520091.db2.gz KOQSEWCTYWRAFJ-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CCCCCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000308922221 631746510 /nfs/dbraw/zinc/74/65/10/631746510.db2.gz JHJXCKJAYLAZJA-JXQTWKCFSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@H]1CC2CCC1CC2 ZINC000308922222 632449946 /nfs/dbraw/zinc/44/99/46/632449946.db2.gz JHJXCKJAYLAZJA-RUXDESIVSA-N 1 0 209.377 3.735 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308922273 528900343 /nfs/dbraw/zinc/90/03/43/528900343.db2.gz HIDIJSTUSFYINE-NXEZZACHSA-N 1 0 225.298 3.742 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308922274 528066342 /nfs/dbraw/zinc/06/63/42/528066342.db2.gz HIDIJSTUSFYINE-UWVGGRQHSA-N 1 0 225.298 3.742 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308922275 528066354 /nfs/dbraw/zinc/06/63/54/528066354.db2.gz HIDIJSTUSFYINE-VHSXEESVSA-N 1 0 225.298 3.742 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308922276 528900436 /nfs/dbraw/zinc/90/04/36/528900436.db2.gz HIDIJSTUSFYINE-ZJUUUORDSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000308924170 533810517 /nfs/dbraw/zinc/81/05/17/533810517.db2.gz LLVSJCDDPAHXBI-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000308924171 533813525 /nfs/dbraw/zinc/81/35/25/533813525.db2.gz LLVSJCDDPAHXBI-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000308924172 533520391 /nfs/dbraw/zinc/52/03/91/533520391.db2.gz LLVSJCDDPAHXBI-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000308924173 533520562 /nfs/dbraw/zinc/52/05/62/533520562.db2.gz LLVSJCDDPAHXBI-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000308924268 323181711 /nfs/dbraw/zinc/18/17/11/323181711.db2.gz CVZJJSFTYZFYED-JTQLQIEISA-N 1 0 221.369 3.650 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000308924270 346941819 /nfs/dbraw/zinc/94/18/19/346941819.db2.gz CVZJJSFTYZFYED-SNVBAGLBSA-N 1 0 221.369 3.650 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000308924563 528874602 /nfs/dbraw/zinc/87/46/02/528874602.db2.gz HWNSNPOSEUDFSQ-JHJVBQTASA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000308924568 528868766 /nfs/dbraw/zinc/86/87/66/528868766.db2.gz HWNSNPOSEUDFSQ-UPJWGTAASA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000308924572 528868735 /nfs/dbraw/zinc/86/87/35/528868735.db2.gz HWNSNPOSEUDFSQ-XQQFMLRXSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)F ZINC000308924577 528874494 /nfs/dbraw/zinc/87/44/94/528874494.db2.gz HWNSNPOSEUDFSQ-YNEHKIRRSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000308924617 528782953 /nfs/dbraw/zinc/78/29/53/528782953.db2.gz HWTMXMWRLHQJDI-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000308924623 528915502 /nfs/dbraw/zinc/91/55/02/528915502.db2.gz HWTMXMWRLHQJDI-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000308924625 528782149 /nfs/dbraw/zinc/78/21/49/528782149.db2.gz HWTMXMWRLHQJDI-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000308924630 528915529 /nfs/dbraw/zinc/91/55/29/528915529.db2.gz HWTMXMWRLHQJDI-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCC(CC)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308925125 528804775 /nfs/dbraw/zinc/80/47/75/528804775.db2.gz ICRASSFXANELSF-NEPJUHHUSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308925127 528805152 /nfs/dbraw/zinc/80/51/52/528805152.db2.gz ICRASSFXANELSF-NWDGAFQWSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308925128 528804744 /nfs/dbraw/zinc/80/47/44/528804744.db2.gz ICRASSFXANELSF-RYUDHWBXSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(CC)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308925776 528804970 /nfs/dbraw/zinc/80/49/70/528804970.db2.gz ICRASSFXANELSF-VXGBXAGGSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)c1cccs1 ZINC000308926009 529160534 /nfs/dbraw/zinc/16/05/34/529160534.db2.gz MBLSXQKXVDLTJN-LLVKDONJSA-N 1 0 229.364 3.929 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)c1cccs1 ZINC000308926011 529596492 /nfs/dbraw/zinc/59/64/92/529596492.db2.gz MBLSXQKXVDLTJN-NSHDSACASA-N 1 0 229.364 3.929 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000308927034 528878645 /nfs/dbraw/zinc/87/86/45/528878645.db2.gz INKMMWPJCANLHY-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C1(C)CC1 ZINC000308927060 229257868 /nfs/dbraw/zinc/25/78/68/229257868.db2.gz KZURRTFUHCFADP-LLVKDONJSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C1(C)CC1 ZINC000308927061 533827615 /nfs/dbraw/zinc/82/76/15/533827615.db2.gz KZURRTFUHCFADP-NSHDSACASA-N 1 0 211.393 3.837 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000308927495 528034370 /nfs/dbraw/zinc/03/43/70/528034370.db2.gz INKMMWPJCANLHY-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000308927938 168870671 /nfs/dbraw/zinc/87/06/71/168870671.db2.gz IRZBWFQYOJIJHO-UHFFFAOYSA-N 1 0 237.290 3.657 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCCF ZINC000308928470 528874793 /nfs/dbraw/zinc/87/47/93/528874793.db2.gz IYEUMKFTYXSZQQ-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000308928471 528867898 /nfs/dbraw/zinc/86/78/98/528867898.db2.gz IYEUMKFTYXSZQQ-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCCF ZINC000308928473 529005740 /nfs/dbraw/zinc/00/57/40/529005740.db2.gz IYEUMKFTYXSZQQ-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000308928475 529002854 /nfs/dbraw/zinc/00/28/54/529002854.db2.gz IYEUMKFTYXSZQQ-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCC1(C)C ZINC000308928755 533508724 /nfs/dbraw/zinc/50/87/24/533508724.db2.gz DSVOBPDUFFCIAG-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000308928757 533773780 /nfs/dbraw/zinc/77/37/80/533773780.db2.gz DSVOBPDUFFCIAG-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000308928759 533507868 /nfs/dbraw/zinc/50/78/68/533507868.db2.gz DSVOBPDUFFCIAG-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC1(C)C ZINC000308928760 533772915 /nfs/dbraw/zinc/77/29/15/533772915.db2.gz DSVOBPDUFFCIAG-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1(C)CCCC1 ZINC000308928765 533825781 /nfs/dbraw/zinc/82/57/81/533825781.db2.gz DSXVNMVDTDORLW-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1(C)CCCC1 ZINC000308928767 229259417 /nfs/dbraw/zinc/25/94/17/229259417.db2.gz DSXVNMVDTDORLW-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308929247 491140439 /nfs/dbraw/zinc/14/04/39/491140439.db2.gz JAYNIULXNXMADM-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308929248 491140453 /nfs/dbraw/zinc/14/04/53/491140453.db2.gz JAYNIULXNXMADM-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308929249 491140446 /nfs/dbraw/zinc/14/04/46/491140446.db2.gz JAYNIULXNXMADM-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308929250 491140451 /nfs/dbraw/zinc/14/04/51/491140451.db2.gz JAYNIULXNXMADM-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CC12CCCC2 ZINC000308929898 528000833 /nfs/dbraw/zinc/00/08/33/528000833.db2.gz JDYVPALGDUYXOA-CYBMUJFWSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CC12CCCC2 ZINC000308929900 528000071 /nfs/dbraw/zinc/00/00/71/528000071.db2.gz JDYVPALGDUYXOA-ZDUSSCGKSA-N 1 0 209.377 3.878 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC2CC2)s1 ZINC000308929982 385300964 /nfs/dbraw/zinc/30/09/64/385300964.db2.gz DZWDWRVBYCSRGB-JTQLQIEISA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC2CC2)s1 ZINC000308929983 178629128 /nfs/dbraw/zinc/62/91/28/178629128.db2.gz DZWDWRVBYCSRGB-SNVBAGLBSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000308930000 528652858 /nfs/dbraw/zinc/65/28/58/528652858.db2.gz FASYJKXIJCTDRR-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000308930001 528654754 /nfs/dbraw/zinc/65/47/54/528654754.db2.gz FASYJKXIJCTDRR-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000308930002 527764008 /nfs/dbraw/zinc/76/40/08/527764008.db2.gz FASYJKXIJCTDRR-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000308930003 527764718 /nfs/dbraw/zinc/76/47/18/527764718.db2.gz FASYJKXIJCTDRR-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000308930429 529289765 /nfs/dbraw/zinc/28/97/65/529289765.db2.gz NOHWRQLYEHBYQU-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000308930432 529282683 /nfs/dbraw/zinc/28/26/83/529282683.db2.gz NOHWRQLYEHBYQU-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000308930435 529210855 /nfs/dbraw/zinc/21/08/55/529210855.db2.gz NOHWRQLYEHBYQU-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000308930438 529207238 /nfs/dbraw/zinc/20/72/38/529207238.db2.gz NOHWRQLYEHBYQU-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)C1CCCCCC1 ZINC000308930614 323181819 /nfs/dbraw/zinc/18/18/19/323181819.db2.gz FERQVPKCIJFMBL-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccsc1 ZINC000308931893 527616735 /nfs/dbraw/zinc/61/67/35/527616735.db2.gz MLPPPNCTBCLSGV-UHFFFAOYSA-N 1 0 225.401 3.910 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)SC ZINC000308932461 631746617 /nfs/dbraw/zinc/74/66/17/631746617.db2.gz ROXHCPLXQRJHFO-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)SC ZINC000308932462 632506415 /nfs/dbraw/zinc/50/64/15/632506415.db2.gz ROXHCPLXQRJHFO-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[C@H]1C)SC ZINC000308932463 632511583 /nfs/dbraw/zinc/51/15/83/632511583.db2.gz ROXHCPLXQRJHFO-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)SC ZINC000308932464 632511637 /nfs/dbraw/zinc/51/16/37/632511637.db2.gz ROXHCPLXQRJHFO-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000308933407 491140580 /nfs/dbraw/zinc/14/05/80/491140580.db2.gz KFGORDYYMZVQIQ-NXEZZACHSA-N 1 0 227.373 3.596 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000308933408 491140575 /nfs/dbraw/zinc/14/05/75/491140575.db2.gz KFGORDYYMZVQIQ-UWVGGRQHSA-N 1 0 227.373 3.596 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000308933409 491140590 /nfs/dbraw/zinc/14/05/90/491140590.db2.gz KFGORDYYMZVQIQ-VHSXEESVSA-N 1 0 227.373 3.596 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000308933410 491140579 /nfs/dbraw/zinc/14/05/79/491140579.db2.gz KFGORDYYMZVQIQ-ZJUUUORDSA-N 1 0 227.373 3.596 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(CC)(CC)SC ZINC000308933439 631746260 /nfs/dbraw/zinc/74/62/60/631746260.db2.gz KGOACOXNEUBJSP-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(CC)(CC)SC ZINC000308933440 632517904 /nfs/dbraw/zinc/51/79/04/632517904.db2.gz KGOACOXNEUBJSP-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(CC)(CC)SC ZINC000308933441 631745853 /nfs/dbraw/zinc/74/58/53/631745853.db2.gz KGOACOXNEUBJSP-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(CC)(CC)SC ZINC000308933442 632516714 /nfs/dbraw/zinc/51/67/14/632516714.db2.gz KGOACOXNEUBJSP-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCS1 ZINC000308933849 533811859 /nfs/dbraw/zinc/81/18/59/533811859.db2.gz OXUCNKKWUYSADL-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCS1 ZINC000308933850 533519562 /nfs/dbraw/zinc/51/95/62/533519562.db2.gz OXUCNKKWUYSADL-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCS1 ZINC000308933851 533519442 /nfs/dbraw/zinc/51/94/42/533519442.db2.gz OXUCNKKWUYSADL-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCS1 ZINC000308933852 533810679 /nfs/dbraw/zinc/81/06/79/533810679.db2.gz OXUCNKKWUYSADL-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000308933931 528067091 /nfs/dbraw/zinc/06/70/91/528067091.db2.gz KIWKPUVANIUQRL-IGQOVBAYSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000308933932 528066226 /nfs/dbraw/zinc/06/62/26/528066226.db2.gz KIWKPUVANIUQRL-REWJHTLYSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000308933933 528067175 /nfs/dbraw/zinc/06/71/75/528067175.db2.gz KIWKPUVANIUQRL-RFQIPJPRSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000308933934 528066271 /nfs/dbraw/zinc/06/62/71/528066271.db2.gz KIWKPUVANIUQRL-XDQVBPFNSA-N 1 0 209.377 3.733 20 0 BHADRO FC1(CC[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000308934998 385303810 /nfs/dbraw/zinc/30/38/10/385303810.db2.gz NXJAZUIGFPNDRF-UHFFFAOYSA-N 1 0 247.766 3.773 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCCCCF ZINC000308935305 527649400 /nfs/dbraw/zinc/64/94/00/527649400.db2.gz POETZVXLKXDWDB-UHFFFAOYSA-N 1 0 217.372 3.931 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000308936967 632528515 /nfs/dbraw/zinc/52/85/15/632528515.db2.gz LAPZDWOLJNVMQC-CHWSQXEVSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000308936969 632529642 /nfs/dbraw/zinc/52/96/42/632529642.db2.gz LAPZDWOLJNVMQC-OLZOCXBDSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000308936971 632527822 /nfs/dbraw/zinc/52/78/22/632527822.db2.gz LAPZDWOLJNVMQC-QWHCGFSZSA-N 1 0 227.417 3.583 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000308936973 632528717 /nfs/dbraw/zinc/52/87/17/632528717.db2.gz LAPZDWOLJNVMQC-STQMWFEESA-N 1 0 227.417 3.583 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccoc1 ZINC000308938371 346942326 /nfs/dbraw/zinc/94/23/26/346942326.db2.gz LMQLOZPQSBWBPV-NEPJUHHUSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccoc1 ZINC000308938373 346942419 /nfs/dbraw/zinc/94/24/19/346942419.db2.gz LMQLOZPQSBWBPV-NWDGAFQWSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccoc1 ZINC000308938375 346942347 /nfs/dbraw/zinc/94/23/47/346942347.db2.gz LMQLOZPQSBWBPV-RYUDHWBXSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccoc1 ZINC000308938377 346942155 /nfs/dbraw/zinc/94/21/55/346942155.db2.gz LMQLOZPQSBWBPV-VXGBXAGGSA-N 1 0 209.333 3.584 20 0 BHADRO CC1(C)CCC(C[NH2+]CCCCF)CC1 ZINC000308938826 385304973 /nfs/dbraw/zinc/30/49/73/385304973.db2.gz UIBMZAGINOFNBV-UHFFFAOYSA-N 1 0 215.356 3.542 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccccc1Cl ZINC000308938828 529553574 /nfs/dbraw/zinc/55/35/74/529553574.db2.gz LOJZYIARCMZZHR-NXEZZACHSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000308938829 529438792 /nfs/dbraw/zinc/43/87/92/529438792.db2.gz LOJZYIARCMZZHR-UWVGGRQHSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000308938830 529553065 /nfs/dbraw/zinc/55/30/65/529553065.db2.gz LOJZYIARCMZZHR-VHSXEESVSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccccc1Cl ZINC000308938833 529438821 /nfs/dbraw/zinc/43/88/21/529438821.db2.gz LOJZYIARCMZZHR-ZJUUUORDSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000308940588 533812025 /nfs/dbraw/zinc/81/20/25/533812025.db2.gz RTIRERLGWYZENY-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCSC1 ZINC000308940591 533519465 /nfs/dbraw/zinc/51/94/65/533519465.db2.gz RTIRERLGWYZENY-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000308940593 533519603 /nfs/dbraw/zinc/51/96/03/533519603.db2.gz RTIRERLGWYZENY-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCSC1 ZINC000308940595 533811415 /nfs/dbraw/zinc/81/14/15/533811415.db2.gz RTIRERLGWYZENY-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccoc1C ZINC000308940833 491140516 /nfs/dbraw/zinc/14/05/16/491140516.db2.gz MBBFLJXAUHNQII-UHFFFAOYSA-N 1 0 209.333 3.646 20 0 BHADRO CCC(CC)C[NH2+]C1CCC2(CC2)CC1 ZINC000308941907 528762397 /nfs/dbraw/zinc/76/23/97/528762397.db2.gz MMCURBAFLXZCAE-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C(C)C)s1 ZINC000308942438 349171199 /nfs/dbraw/zinc/17/11/99/349171199.db2.gz MPSDGULCZLNFPP-UHFFFAOYSA-N 1 0 243.441 3.994 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCCF)[C@@H](C)C1 ZINC000308942552 534256713 /nfs/dbraw/zinc/25/67/13/534256713.db2.gz SPDUUVDOXZSMAW-AGIUHOORSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCCF)[C@@H](C)C1 ZINC000308942554 229264349 /nfs/dbraw/zinc/26/43/49/229264349.db2.gz SPDUUVDOXZSMAW-FRRDWIJNSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCCF)[C@H](C)C1 ZINC000308942555 229264466 /nfs/dbraw/zinc/26/44/66/229264466.db2.gz SPDUUVDOXZSMAW-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCCF)[C@H](C)C1 ZINC000308942556 534256310 /nfs/dbraw/zinc/25/63/10/534256310.db2.gz SPDUUVDOXZSMAW-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO FC1(CC[NH2+]Cc2ccsc2Cl)CCC1 ZINC000308943431 385299097 /nfs/dbraw/zinc/29/90/97/385299097.db2.gz REQKIVPWVFVPFZ-UHFFFAOYSA-N 1 0 247.766 3.773 20 0 BHADRO CCC(CC)C[NH2+]C1CCC(F)(F)CC1 ZINC000308944085 528761646 /nfs/dbraw/zinc/76/16/46/528761646.db2.gz NBNWENVYLOUBIU-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308944131 528804975 /nfs/dbraw/zinc/80/49/75/528804975.db2.gz NCNPRFYOJDVHJM-JTQLQIEISA-N 1 0 225.298 3.742 20 0 BHADRO CCC(CC)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308944132 528804779 /nfs/dbraw/zinc/80/47/79/528804779.db2.gz NCNPRFYOJDVHJM-SNVBAGLBSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000308945060 533437524 /nfs/dbraw/zinc/43/75/24/533437524.db2.gz NLPOLDFNYNEHRH-CKYFFXLPSA-N 1 0 223.747 3.647 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000308945063 229264229 /nfs/dbraw/zinc/26/42/29/229264229.db2.gz NLPOLDFNYNEHRH-FOGDFJRCSA-N 1 0 223.747 3.647 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H]2CC2(C)C)s1 ZINC000308946478 532957825 /nfs/dbraw/zinc/95/78/25/532957825.db2.gz NWOAWVVECRLYKI-SECBINFHSA-N 1 0 241.425 3.606 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H]2CC2(C)C)s1 ZINC000308946479 532957165 /nfs/dbraw/zinc/95/71/65/532957165.db2.gz NWOAWVVECRLYKI-VIFPVBQESA-N 1 0 241.425 3.606 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCCSC1 ZINC000308946552 528000007 /nfs/dbraw/zinc/00/00/07/528000007.db2.gz NXUAMYJCXXXKEH-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCCSC1 ZINC000308946554 528000491 /nfs/dbraw/zinc/00/04/91/528000491.db2.gz NXUAMYJCXXXKEH-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308946874 632567638 /nfs/dbraw/zinc/56/76/38/632567638.db2.gz GLHUHLFZLDTBOR-IGQOVBAYSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000308947588 528878679 /nfs/dbraw/zinc/87/86/79/528878679.db2.gz OFNGGVWIUPSFOY-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000308947590 528878988 /nfs/dbraw/zinc/87/89/88/528878988.db2.gz OFNGGVWIUPSFOY-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000308947592 528033302 /nfs/dbraw/zinc/03/33/02/528033302.db2.gz OFNGGVWIUPSFOY-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000308947594 528033735 /nfs/dbraw/zinc/03/37/35/528033735.db2.gz OFNGGVWIUPSFOY-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(CC(C)C)CC1 ZINC000308948280 529343651 /nfs/dbraw/zinc/34/36/51/529343651.db2.gz OKSOSWXLBCZIKU-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(CC(C)C)CC1 ZINC000308948282 529338181 /nfs/dbraw/zinc/33/81/81/529338181.db2.gz OKSOSWXLBCZIKU-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(CC(C)C)CC1 ZINC000308948284 529258145 /nfs/dbraw/zinc/25/81/45/529258145.db2.gz OKSOSWXLBCZIKU-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(CC(C)C)CC1 ZINC000308948286 529249554 /nfs/dbraw/zinc/24/95/54/529249554.db2.gz OKSOSWXLBCZIKU-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308949751 711653713 /nfs/dbraw/zinc/65/37/13/711653713.db2.gz UNYCNWRRZWTZHA-GMZKHCIJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308949752 631754481 /nfs/dbraw/zinc/75/44/81/631754481.db2.gz UNYCNWRRZWTZHA-HRDMENRUSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000308949753 631753946 /nfs/dbraw/zinc/75/39/46/631753946.db2.gz UNYCNWRRZWTZHA-LFSIAQGGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000308949754 631753650 /nfs/dbraw/zinc/75/36/50/631753650.db2.gz UNYCNWRRZWTZHA-OESUJAFSSA-N 1 0 209.377 3.589 20 0 BHADRO CCC1CC([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000308951079 527823415 /nfs/dbraw/zinc/82/34/15/527823415.db2.gz PEIWXBSBROUTNS-DCBWTQNWSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CC([NH2+][C@H](C)C2CCCCC2)C1 ZINC000308951080 527823100 /nfs/dbraw/zinc/82/31/00/527823100.db2.gz PEIWXBSBROUTNS-LKSINWNRSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC1(F)CCC1 ZINC000308951578 528782674 /nfs/dbraw/zinc/78/26/74/528782674.db2.gz PHAYHNFBYRAPPU-GFCCVEGCSA-N 1 0 215.356 3.827 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC1(F)CCC1 ZINC000308951579 528914030 /nfs/dbraw/zinc/91/40/30/528914030.db2.gz PHAYHNFBYRAPPU-LBPRGKRZSA-N 1 0 215.356 3.827 20 0 BHADRO CSc1ccc(C[NH2+]CC2CCCC2)s1 ZINC000308951599 532956084 /nfs/dbraw/zinc/95/60/84/532956084.db2.gz PHPAIDQZQBNPED-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO CSCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000308953669 229264956 /nfs/dbraw/zinc/26/49/56/229264956.db2.gz PVGUETAHJFZNEF-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000308953670 229265192 /nfs/dbraw/zinc/26/51/92/229265192.db2.gz PVGUETAHJFZNEF-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000308953671 229264899 /nfs/dbraw/zinc/26/48/99/229264899.db2.gz PVGUETAHJFZNEF-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000308953672 229264901 /nfs/dbraw/zinc/26/49/01/229264901.db2.gz PVGUETAHJFZNEF-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C2CC2)s1 ZINC000308953751 259340572 /nfs/dbraw/zinc/34/05/72/259340572.db2.gz PXDPNSLBIGMYKP-UHFFFAOYSA-N 1 0 241.425 3.748 20 0 BHADRO CCC1(C)CCC([NH2+]C2CC=CC2)CC1 ZINC000308954201 491141099 /nfs/dbraw/zinc/14/10/99/491141099.db2.gz PZLBWJVIXLBVBU-UHFFFAOYSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@](C)([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308955603 631754074 /nfs/dbraw/zinc/75/40/74/631754074.db2.gz QKZYCOKAVQATNS-PGJNLMOESA-N 1 0 223.747 3.654 20 0 BHADRO CC[C@](C)([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308955604 631754354 /nfs/dbraw/zinc/75/43/54/631754354.db2.gz QKZYCOKAVQATNS-RSPDNQDQSA-N 1 0 223.747 3.654 20 0 BHADRO CC[C@](C)([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308955605 631754910 /nfs/dbraw/zinc/75/49/10/631754910.db2.gz QKZYCOKAVQATNS-SZNGSJQDSA-N 1 0 223.747 3.654 20 0 BHADRO CC[C@@](C)([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308955606 631754605 /nfs/dbraw/zinc/75/46/05/631754605.db2.gz QKZYCOKAVQATNS-UTSBKAFOSA-N 1 0 223.747 3.654 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000308957599 410073021 /nfs/dbraw/zinc/07/30/21/410073021.db2.gz XUZFKGKTJLSDCT-AXFHLTTASA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000308957600 410073118 /nfs/dbraw/zinc/07/31/18/410073118.db2.gz XUZFKGKTJLSDCT-DCAQKATOSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000308957601 410073057 /nfs/dbraw/zinc/07/30/57/410073057.db2.gz XUZFKGKTJLSDCT-GARJFASQSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000308957602 410073321 /nfs/dbraw/zinc/07/33/21/410073321.db2.gz XUZFKGKTJLSDCT-HBNTYKKESA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000308960859 385314803 /nfs/dbraw/zinc/31/48/03/385314803.db2.gz RYVFJYSXIXELTJ-SSDOTTSWSA-N 1 0 237.290 3.655 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000308960863 171343669 /nfs/dbraw/zinc/34/36/69/171343669.db2.gz RYVFJYSXIXELTJ-ZETCQYMHSA-N 1 0 237.290 3.655 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2CCC2)CCC1 ZINC000308963104 528061906 /nfs/dbraw/zinc/06/19/06/528061906.db2.gz SPTXYAHFTRYBQB-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2CCC2)CCC1 ZINC000308963105 528061802 /nfs/dbraw/zinc/06/18/02/528061802.db2.gz SPTXYAHFTRYBQB-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000308963499 529375279 /nfs/dbraw/zinc/37/52/79/529375279.db2.gz SZPZUBPTXPRLLI-CHWSQXEVSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000308963500 529374882 /nfs/dbraw/zinc/37/48/82/529374882.db2.gz SZPZUBPTXPRLLI-OLZOCXBDSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000308963501 529182584 /nfs/dbraw/zinc/18/25/84/529182584.db2.gz SZPZUBPTXPRLLI-QWHCGFSZSA-N 1 0 205.345 3.753 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000308963502 529181939 /nfs/dbraw/zinc/18/19/39/529181939.db2.gz SZPZUBPTXPRLLI-STQMWFEESA-N 1 0 205.345 3.753 20 0 BHADRO CS[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC000308963679 229274296 /nfs/dbraw/zinc/27/42/96/229274296.db2.gz TWCOBMYRTMCVMF-LLVKDONJSA-N 1 0 231.449 3.790 20 0 BHADRO CS[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC000308963680 533927872 /nfs/dbraw/zinc/92/78/72/533927872.db2.gz TWCOBMYRTMCVMF-NSHDSACASA-N 1 0 231.449 3.790 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308963922 528896417 /nfs/dbraw/zinc/89/64/17/528896417.db2.gz TZKOUDZGRROSFC-AVGNSLFASA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308963923 528896297 /nfs/dbraw/zinc/89/62/97/528896297.db2.gz TZKOUDZGRROSFC-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308963924 528894134 /nfs/dbraw/zinc/89/41/34/528894134.db2.gz TZKOUDZGRROSFC-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308963925 528896254 /nfs/dbraw/zinc/89/62/54/528896254.db2.gz TZKOUDZGRROSFC-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000308964277 491141409 /nfs/dbraw/zinc/14/14/09/491141409.db2.gz UHHXEHDDLHAQQR-AUZPSNTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308964278 491141390 /nfs/dbraw/zinc/14/13/90/491141390.db2.gz UHHXEHDDLHAQQR-CDGCEXEKSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000308964279 491141426 /nfs/dbraw/zinc/14/14/26/491141426.db2.gz UHHXEHDDLHAQQR-IMIFBBOLSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000308964280 491141400 /nfs/dbraw/zinc/14/14/00/491141400.db2.gz UHHXEHDDLHAQQR-VTPLQMEGSA-N 1 0 209.377 3.589 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CSC[C@H]1C ZINC000308964378 528928018 /nfs/dbraw/zinc/92/80/18/528928018.db2.gz LKOFHZJIUDGARD-AGIUHOORSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CSC[C@@H]1C ZINC000308964379 528928037 /nfs/dbraw/zinc/92/80/37/528928037.db2.gz LKOFHZJIUDGARD-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CSC[C@H]1C ZINC000308964380 528928140 /nfs/dbraw/zinc/92/81/40/528928140.db2.gz LKOFHZJIUDGARD-FRRDWIJNSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308964381 528928110 /nfs/dbraw/zinc/92/81/10/528928110.db2.gz LKOFHZJIUDGARD-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCCCCSC ZINC000308964441 631771587 /nfs/dbraw/zinc/77/15/87/631771587.db2.gz UJHOXUJUVKLBRN-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCCCCSC ZINC000308964442 631772297 /nfs/dbraw/zinc/77/22/97/631772297.db2.gz UJHOXUJUVKLBRN-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCCCCSC ZINC000308964443 631771422 /nfs/dbraw/zinc/77/14/22/631771422.db2.gz UJHOXUJUVKLBRN-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCCCCSC ZINC000308964444 631771189 /nfs/dbraw/zinc/77/11/89/631771189.db2.gz UJHOXUJUVKLBRN-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000308966092 528804984 /nfs/dbraw/zinc/80/49/84/528804984.db2.gz VSBBQQBTVIONKS-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000308966093 528804733 /nfs/dbraw/zinc/80/47/33/528804733.db2.gz VSBBQQBTVIONKS-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000308966095 528804895 /nfs/dbraw/zinc/80/48/95/528804895.db2.gz VSBBQQBTVIONKS-SGMGOOAPSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000308966096 528804389 /nfs/dbraw/zinc/80/43/89/528804389.db2.gz VSBBQQBTVIONKS-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000308966930 527706352 /nfs/dbraw/zinc/70/63/52/527706352.db2.gz MXLKTVHBIYJRAN-AGIUHOORSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308966932 527706405 /nfs/dbraw/zinc/70/64/05/527706405.db2.gz MXLKTVHBIYJRAN-AVGNSLFASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308966933 527706412 /nfs/dbraw/zinc/70/64/12/527706412.db2.gz MXLKTVHBIYJRAN-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308966934 527706383 /nfs/dbraw/zinc/70/63/83/527706383.db2.gz MXLKTVHBIYJRAN-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](CC)CC(F)(F)F ZINC000308967678 528877894 /nfs/dbraw/zinc/87/78/94/528877894.db2.gz WYFHZMOWKAGYJL-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](CC)CC(F)(F)F ZINC000308967679 528033960 /nfs/dbraw/zinc/03/39/60/528033960.db2.gz WYFHZMOWKAGYJL-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](CC)CC(F)(F)F ZINC000308967680 528033778 /nfs/dbraw/zinc/03/37/78/528033778.db2.gz WYFHZMOWKAGYJL-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](CC)CC(F)(F)F ZINC000308967681 528878690 /nfs/dbraw/zinc/87/86/90/528878690.db2.gz WYFHZMOWKAGYJL-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000308967914 529553128 /nfs/dbraw/zinc/55/31/28/529553128.db2.gz XEDSDOIJYATXEV-BXKDBHETSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000308967915 529438625 /nfs/dbraw/zinc/43/86/25/529438625.db2.gz XEDSDOIJYATXEV-CABZTGNLSA-N 1 0 229.726 3.739 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308968010 349259710 /nfs/dbraw/zinc/25/97/10/349259710.db2.gz NTFZDGOJROPOTQ-IGQOVBAYSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000308968030 529553560 /nfs/dbraw/zinc/55/35/60/529553560.db2.gz XEDSDOIJYATXEV-JOYOIKCWSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000308968031 529438668 /nfs/dbraw/zinc/43/86/68/529438668.db2.gz XEDSDOIJYATXEV-SKDRFNHKSA-N 1 0 229.726 3.739 20 0 BHADRO CCC1CCC([NH2+]C(C)(C)C(F)F)CC1 ZINC000308968084 491141227 /nfs/dbraw/zinc/14/12/27/491141227.db2.gz XFPADKIGZPUQOJ-UHFFFAOYSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[NH2+]Cc1cccc(SCC)c1 ZINC000308968689 528553139 /nfs/dbraw/zinc/55/31/39/528553139.db2.gz XPVIODKGGCTJPK-UHFFFAOYSA-N 1 0 223.385 3.688 20 0 BHADRO CS[C@H](C[NH2+]CC1(C)CCC1)C(C)(C)C ZINC000308968892 385321542 /nfs/dbraw/zinc/32/15/42/385321542.db2.gz XSVOSOBTEZAGGG-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CS[C@@H](C[NH2+]CC1(C)CCC1)C(C)(C)C ZINC000308968893 385321455 /nfs/dbraw/zinc/32/14/55/385321455.db2.gz XSVOSOBTEZAGGG-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000308970339 529553058 /nfs/dbraw/zinc/55/30/58/529553058.db2.gz YWMDNKRARRSBAK-BXKDBHETSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000308970340 529438127 /nfs/dbraw/zinc/43/81/27/529438127.db2.gz YWMDNKRARRSBAK-CABZTGNLSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000308970341 529553525 /nfs/dbraw/zinc/55/35/25/529553525.db2.gz YWMDNKRARRSBAK-JOYOIKCWSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000308970342 529438807 /nfs/dbraw/zinc/43/88/07/529438807.db2.gz YWMDNKRARRSBAK-SKDRFNHKSA-N 1 0 229.726 3.739 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000308970626 491141264 /nfs/dbraw/zinc/14/12/64/491141264.db2.gz ZEIWRWGSFZDOTD-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000308970627 491141302 /nfs/dbraw/zinc/14/13/02/491141302.db2.gz ZEIWRWGSFZDOTD-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000308970628 491141281 /nfs/dbraw/zinc/14/12/81/491141281.db2.gz ZEIWRWGSFZDOTD-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000308970629 491141294 /nfs/dbraw/zinc/14/12/94/491141294.db2.gz ZEIWRWGSFZDOTD-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cccs1 ZINC000308971166 490373797 /nfs/dbraw/zinc/37/37/97/490373797.db2.gz ZMRUAQUXGXBKIN-LLVKDONJSA-N 1 0 221.369 3.731 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1cccs1 ZINC000308971167 490374102 /nfs/dbraw/zinc/37/41/02/490374102.db2.gz ZMRUAQUXGXBKIN-NSHDSACASA-N 1 0 221.369 3.731 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C2(C)CC2)s1 ZINC000308971177 632600524 /nfs/dbraw/zinc/60/05/24/632600524.db2.gz ZNBSHAAQJQFJHC-SECBINFHSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000308971178 631777101 /nfs/dbraw/zinc/77/71/01/631777101.db2.gz ZNBSHAAQJQFJHC-VIFPVBQESA-N 1 0 241.425 3.748 20 0 BHADRO CCSCC[NH2+][C@H](C)CC1CCCCC1 ZINC000308972073 529181202 /nfs/dbraw/zinc/18/12/02/529181202.db2.gz AEZRTCMHXOGEKC-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)([NH2+]C1CCC(C)(C)CC1)C(F)F ZINC000308974157 491141661 /nfs/dbraw/zinc/14/16/61/491141661.db2.gz GBFWSYXBSWBARA-UHFFFAOYSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(Cl)s1 ZINC000308974498 534013670 /nfs/dbraw/zinc/01/36/70/534013670.db2.gz GFOHXASOVSIVBJ-CIUDSAMLSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(Cl)s1 ZINC000308974499 229284617 /nfs/dbraw/zinc/28/46/17/229284617.db2.gz GFOHXASOVSIVBJ-DJLDLDEBSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(Cl)s1 ZINC000308974500 229284463 /nfs/dbraw/zinc/28/44/63/229284463.db2.gz GFOHXASOVSIVBJ-XHNCKOQMSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(Cl)s1 ZINC000308974501 534010749 /nfs/dbraw/zinc/01/07/49/534010749.db2.gz GFOHXASOVSIVBJ-YIZRAAEISA-N 1 0 247.766 3.943 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C\Cl)ccc1F ZINC000308974527 633837677 /nfs/dbraw/zinc/83/76/77/633837677.db2.gz GGFYWUWLXCTCST-NWPZZWLHSA-N 1 0 227.710 3.537 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C/Cl)ccc1F ZINC000308974528 631769708 /nfs/dbraw/zinc/76/97/08/631769708.db2.gz GGFYWUWLXCTCST-QLCVYAKKSA-N 1 0 227.710 3.537 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C\Cl)ccc1F ZINC000308974529 631768714 /nfs/dbraw/zinc/76/87/14/631768714.db2.gz GGFYWUWLXCTCST-XICOKMJESA-N 1 0 227.710 3.537 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C/Cl)ccc1F ZINC000308974531 631769498 /nfs/dbraw/zinc/76/94/98/631769498.db2.gz GGFYWUWLXCTCST-YVGDHZEHSA-N 1 0 227.710 3.537 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(C)sc1C ZINC000308974828 349262023 /nfs/dbraw/zinc/26/20/23/349262023.db2.gz GHPOGMDXBMVXRI-UHFFFAOYSA-N 1 0 223.385 3.811 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000308975192 527689074 /nfs/dbraw/zinc/68/90/74/527689074.db2.gz GKLLUQFWZBZOAK-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000308975193 527689171 /nfs/dbraw/zinc/68/91/71/527689171.db2.gz GKLLUQFWZBZOAK-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000308975194 527689405 /nfs/dbraw/zinc/68/94/05/527689405.db2.gz GKLLUQFWZBZOAK-RWMBFGLXSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000308975195 527689033 /nfs/dbraw/zinc/68/90/33/527689033.db2.gz GKLLUQFWZBZOAK-YNEHKIRRSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1[nH+]ccc(N[C@@H]2CC[C@@H](C)C2)c1Cl ZINC000308977151 229286357 /nfs/dbraw/zinc/28/63/57/229286357.db2.gz CLZLPIZSBNFODM-PSASIEDQSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@H]2CC[C@@H](C)C2)c1Cl ZINC000308977152 229286987 /nfs/dbraw/zinc/28/69/87/229286987.db2.gz CLZLPIZSBNFODM-SCZZXKLOSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@@H]2CC[C@H](C)C2)c1Cl ZINC000308977153 229286545 /nfs/dbraw/zinc/28/65/45/229286545.db2.gz CLZLPIZSBNFODM-WCBMZHEXSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@H]2CC[C@H](C)C2)c1Cl ZINC000308977154 229287154 /nfs/dbraw/zinc/28/71/54/229287154.db2.gz CLZLPIZSBNFODM-WPRPVWTQSA-N 1 0 224.735 3.644 20 0 BHADRO C1CC2(C1)CC[C@H]2[NH2+]C1CCCCCC1 ZINC000308977844 526421496 /nfs/dbraw/zinc/42/14/96/526421496.db2.gz HDFUGPRCLMVEKM-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CC2(C1)CC[C@@H]2[NH2+]C1CCCCCC1 ZINC000308977847 526420481 /nfs/dbraw/zinc/42/04/81/526420481.db2.gz HDFUGPRCLMVEKM-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000308978981 533982018 /nfs/dbraw/zinc/98/20/18/533982018.db2.gz RPFAZQVRFNJYPS-JULQROHOSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000308978994 410191851 /nfs/dbraw/zinc/19/18/51/410191851.db2.gz RPFAZQVRFNJYPS-YRRQLQLVSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@H]1CC1(C)C ZINC000308979096 487603633 /nfs/dbraw/zinc/60/36/33/487603633.db2.gz HMVFDNYHJMEQSJ-HOSYDEDBSA-N 1 0 223.385 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccsc1 ZINC000308979099 487603640 /nfs/dbraw/zinc/60/36/40/487603640.db2.gz HMVFDNYHJMEQSJ-JBLDHEPKSA-N 1 0 223.385 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccsc1 ZINC000308979102 487603481 /nfs/dbraw/zinc/60/34/81/487603481.db2.gz HMVFDNYHJMEQSJ-NHCYSSNCSA-N 1 0 223.385 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@@H]1CC1(C)C ZINC000308979105 487603360 /nfs/dbraw/zinc/60/33/60/487603360.db2.gz HMVFDNYHJMEQSJ-UMNHJUIQSA-N 1 0 223.385 3.833 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CCC2)c1C ZINC000308980033 229286515 /nfs/dbraw/zinc/28/65/15/229286515.db2.gz HTVDIGFQYXWENZ-GFCCVEGCSA-N 1 0 203.329 3.507 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CCC2)c1C ZINC000308980035 229285852 /nfs/dbraw/zinc/28/58/52/229285852.db2.gz HTVDIGFQYXWENZ-LBPRGKRZSA-N 1 0 203.329 3.507 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000308980600 229286270 /nfs/dbraw/zinc/28/62/70/229286270.db2.gz SCZFGKQXJDXLKE-DVVUODLYSA-N 1 0 241.787 3.680 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CC1)C1CCCC1 ZINC000308980892 259340575 /nfs/dbraw/zinc/34/05/75/259340575.db2.gz IBPFDALSZXBQRC-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)C1CCCCCC1 ZINC000308980912 491141812 /nfs/dbraw/zinc/14/18/12/491141812.db2.gz ICMOXCNYAHJUCK-GFCCVEGCSA-N 1 0 207.361 3.654 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)C1CCCCCC1 ZINC000308980913 491141810 /nfs/dbraw/zinc/14/18/10/491141810.db2.gz ICMOXCNYAHJUCK-LBPRGKRZSA-N 1 0 207.361 3.654 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000308980919 488000885 /nfs/dbraw/zinc/00/08/85/488000885.db2.gz SCZFGKQXJDXLKE-JMJZKYOTSA-N 1 0 241.787 3.680 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CC[C@H]2C)CCC1 ZINC000308981072 711582129 /nfs/dbraw/zinc/58/21/29/711582129.db2.gz IDSINNPNAFKBIT-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CC[C@H]2C)CCC1 ZINC000308981080 711582066 /nfs/dbraw/zinc/58/20/66/711582066.db2.gz IDSINNPNAFKBIT-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H]2C)CCC1 ZINC000308981089 711582114 /nfs/dbraw/zinc/58/21/14/711582114.db2.gz IDSINNPNAFKBIT-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H]2C)CCC1 ZINC000308981096 631780083 /nfs/dbraw/zinc/78/00/83/631780083.db2.gz IDSINNPNAFKBIT-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000308981400 491141818 /nfs/dbraw/zinc/14/18/18/491141818.db2.gz IGJAJBTXJQZVCD-CHWSQXEVSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000308981401 491141796 /nfs/dbraw/zinc/14/17/96/491141796.db2.gz IGJAJBTXJQZVCD-OLZOCXBDSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000308981402 491141777 /nfs/dbraw/zinc/14/17/77/491141777.db2.gz IGJAJBTXJQZVCD-QWHCGFSZSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000308981403 491141789 /nfs/dbraw/zinc/14/17/89/491141789.db2.gz IGJAJBTXJQZVCD-STQMWFEESA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000308981511 166891891 /nfs/dbraw/zinc/89/18/91/166891891.db2.gz IIIQVLCDKQMHNM-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000308981514 166903370 /nfs/dbraw/zinc/90/33/70/166903370.db2.gz IIIQVLCDKQMHNM-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308981854 632606320 /nfs/dbraw/zinc/60/63/20/632606320.db2.gz IMCYOTZKKCYLBA-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1cccs1 ZINC000308983163 491141875 /nfs/dbraw/zinc/14/18/75/491141875.db2.gz IVKTZUZNSLURQI-GFCCVEGCSA-N 1 0 223.385 3.625 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)Cc1cccs1 ZINC000308983167 491141834 /nfs/dbraw/zinc/14/18/34/491141834.db2.gz IVKTZUZNSLURQI-LBPRGKRZSA-N 1 0 223.385 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1csc(Cl)c1 ZINC000308983174 385325960 /nfs/dbraw/zinc/32/59/60/385325960.db2.gz IVRZKWJZNPAQHP-FXBDTBDDSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1csc(Cl)c1 ZINC000308983177 385324796 /nfs/dbraw/zinc/32/47/96/385324796.db2.gz IVRZKWJZNPAQHP-HGNGGELXSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1csc(Cl)c1 ZINC000308983181 385325042 /nfs/dbraw/zinc/32/50/42/385325042.db2.gz IVRZKWJZNPAQHP-SFGNSQDASA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1csc(Cl)c1 ZINC000308983185 385326244 /nfs/dbraw/zinc/32/62/44/385326244.db2.gz IVRZKWJZNPAQHP-UJNFCWOMSA-N 1 0 247.766 3.943 20 0 BHADRO CCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000308983637 528556111 /nfs/dbraw/zinc/55/61/11/528556111.db2.gz FVSOKLOVCYCSJM-BXUZGUMPSA-N 1 0 203.329 3.625 20 0 BHADRO CCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000308983638 528556301 /nfs/dbraw/zinc/55/63/01/528556301.db2.gz FVSOKLOVCYCSJM-FZMZJTMJSA-N 1 0 203.329 3.625 20 0 BHADRO CCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000308983639 528556543 /nfs/dbraw/zinc/55/65/43/528556543.db2.gz FVSOKLOVCYCSJM-RISCZKNCSA-N 1 0 203.329 3.625 20 0 BHADRO CCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000308983640 528555812 /nfs/dbraw/zinc/55/58/12/528555812.db2.gz FVSOKLOVCYCSJM-SMDDNHRTSA-N 1 0 203.329 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccsc1 ZINC000308986293 385331998 /nfs/dbraw/zinc/33/19/98/385331998.db2.gz JXEYHZJWOWAWRR-CMPLNLGQSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccsc1 ZINC000308986294 385331398 /nfs/dbraw/zinc/33/13/98/385331398.db2.gz JXEYHZJWOWAWRR-JQWIXIFHSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccsc1 ZINC000308986295 385332749 /nfs/dbraw/zinc/33/27/49/385332749.db2.gz JXEYHZJWOWAWRR-PWSUYJOCSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccsc1 ZINC000308986296 385331213 /nfs/dbraw/zinc/33/12/13/385331213.db2.gz JXEYHZJWOWAWRR-ZYHUDNBSSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccsc1 ZINC000308988305 323183553 /nfs/dbraw/zinc/18/35/53/323183553.db2.gz KIWZVLADZHSCQM-JTQLQIEISA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccsc1 ZINC000308988306 323183526 /nfs/dbraw/zinc/18/35/26/323183526.db2.gz KIWZVLADZHSCQM-SNVBAGLBSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)C1(C)CC1 ZINC000308988357 533367701 /nfs/dbraw/zinc/36/77/01/533367701.db2.gz KKOZKSUXTJCBFN-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)C1(C)CC1 ZINC000308988358 533838685 /nfs/dbraw/zinc/83/86/85/533838685.db2.gz KKOZKSUXTJCBFN-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)C1(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000308989271 385335032 /nfs/dbraw/zinc/33/50/32/385335032.db2.gz KQIDCEWAFPQQEX-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308989710 533811085 /nfs/dbraw/zinc/81/10/85/533811085.db2.gz KTFHGXGYDVJTIT-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308989711 533811656 /nfs/dbraw/zinc/81/16/56/533811656.db2.gz KTFHGXGYDVJTIT-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308989712 533812524 /nfs/dbraw/zinc/81/25/24/533812524.db2.gz KTFHGXGYDVJTIT-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000308989713 533812769 /nfs/dbraw/zinc/81/27/69/533812769.db2.gz KTFHGXGYDVJTIT-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000308990706 491141962 /nfs/dbraw/zinc/14/19/62/491141962.db2.gz LCAIPIYPRODXHG-FQUUOJAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000308990710 491141965 /nfs/dbraw/zinc/14/19/65/491141965.db2.gz LCAIPIYPRODXHG-RFGFWPKPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C ZINC000308990715 491141974 /nfs/dbraw/zinc/14/19/74/491141974.db2.gz LCAIPIYPRODXHG-RQJABVFESA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C ZINC000308990719 491141947 /nfs/dbraw/zinc/14/19/47/491141947.db2.gz LCAIPIYPRODXHG-XUXIUFHCSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)CSC(C)(C)C ZINC000308992561 632612122 /nfs/dbraw/zinc/61/21/22/632612122.db2.gz LPECUVWIIQJKBO-LLVKDONJSA-N 1 0 249.489 3.638 20 0 BHADRO Cc1[nH+]ccc(N[C@H](C)C2CCC2)c1Cl ZINC000308993220 491051121 /nfs/dbraw/zinc/05/11/21/491051121.db2.gz IVSFPQYJWHVWBC-MRVPVSSYSA-N 1 0 224.735 3.644 20 0 BHADRO Cc1[nH+]ccc(N[C@@H](C)C2CCC2)c1Cl ZINC000308993221 491142036 /nfs/dbraw/zinc/14/20/36/491142036.db2.gz IVSFPQYJWHVWBC-QMMMGPOBSA-N 1 0 224.735 3.644 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000308993338 385336555 /nfs/dbraw/zinc/33/65/55/385336555.db2.gz LTEKTUBZAFQZLA-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000308993339 385336415 /nfs/dbraw/zinc/33/64/15/385336415.db2.gz LTEKTUBZAFQZLA-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000308993340 346946859 /nfs/dbraw/zinc/94/68/59/346946859.db2.gz LTEKTUBZAFQZLA-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000308993341 346946678 /nfs/dbraw/zinc/94/66/78/346946678.db2.gz LTEKTUBZAFQZLA-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)C(C)(C)C ZINC000308993449 385336285 /nfs/dbraw/zinc/33/62/85/385336285.db2.gz OQDLIGJCWIHHFQ-UHFFFAOYSA-N 1 0 209.333 3.502 20 0 BHADRO CSCCCCNc1cc[nH+]c(C)c1Cl ZINC000308994235 385335981 /nfs/dbraw/zinc/33/59/81/385335981.db2.gz JGHKSLXGHABGEK-UHFFFAOYSA-N 1 0 244.791 3.599 20 0 BHADRO Cc1[nH+]ccc(NCCCC2CC2)c1Cl ZINC000308995892 323081706 /nfs/dbraw/zinc/08/17/06/323081706.db2.gz JTXVADQVLSVRLF-UHFFFAOYSA-N 1 0 224.735 3.646 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C)C(C)(C)C ZINC000308996456 534474278 /nfs/dbraw/zinc/47/42/78/534474278.db2.gz PULRIZIYGPRYKX-UHFFFAOYSA-N 1 0 225.401 3.971 20 0 BHADRO C/C=C/C[NH2+][C@H]1CCCCC12CCCC2 ZINC000308996530 410194819 /nfs/dbraw/zinc/19/48/19/410194819.db2.gz PVNRRYWVUGIVPJ-IBUXWKBASA-N 1 0 207.361 3.655 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308996531 410194817 /nfs/dbraw/zinc/19/48/17/410194817.db2.gz PVNRRYWVUGIVPJ-XQJDBVBESA-N 1 0 207.361 3.655 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308996532 410836122 /nfs/dbraw/zinc/83/61/22/410836122.db2.gz PVNRRYWVUGIVPJ-YWVDXFKGSA-N 1 0 207.361 3.655 20 0 BHADRO C/C=C\C[NH2+][C@H]1CCCCC12CCCC2 ZINC000308996533 410195206 /nfs/dbraw/zinc/19/52/06/410195206.db2.gz PVNRRYWVUGIVPJ-ZRMMWKCHSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)CCC[NH2+]C1(C(F)F)CCCC1 ZINC000308996646 491142041 /nfs/dbraw/zinc/14/20/41/491142041.db2.gz MSRNWQQDUTUYJG-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)s1 ZINC000308997161 385337268 /nfs/dbraw/zinc/33/72/68/385337268.db2.gz MXEIXESAGWERMH-GXSJLCMTSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)s1 ZINC000308997162 178851595 /nfs/dbraw/zinc/85/15/95/178851595.db2.gz MXEIXESAGWERMH-KOLCDFICSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)s1 ZINC000308997163 178848149 /nfs/dbraw/zinc/84/81/49/178848149.db2.gz MXEIXESAGWERMH-MWLCHTKSSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)s1 ZINC000308997164 385337177 /nfs/dbraw/zinc/33/71/77/385337177.db2.gz MXEIXESAGWERMH-ONGXEEELSA-N 1 0 241.425 3.601 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)C1(C)CC1 ZINC000308997540 631784291 /nfs/dbraw/zinc/78/42/91/631784291.db2.gz MYWGGLJZPTZUNH-GHMZBOCLSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C1(C)CC1 ZINC000308997541 631783480 /nfs/dbraw/zinc/78/34/80/631783480.db2.gz MYWGGLJZPTZUNH-MNOVXSKESA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)C1(C)CC1 ZINC000308997542 633839403 /nfs/dbraw/zinc/83/94/03/633839403.db2.gz MYWGGLJZPTZUNH-QWRGUYRKSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1(C)CC1 ZINC000308997543 633839857 /nfs/dbraw/zinc/83/98/57/633839857.db2.gz MYWGGLJZPTZUNH-WDEREUQCSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C(C)(C)C(F)F ZINC000308998725 491141443 /nfs/dbraw/zinc/14/14/43/491141443.db2.gz NJOKNGUFXZAQSA-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C(C)(C)C(F)F ZINC000308998726 491141462 /nfs/dbraw/zinc/14/14/62/491141462.db2.gz NJOKNGUFXZAQSA-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cscc2Cl)CC1 ZINC000308999499 711659836 /nfs/dbraw/zinc/65/98/36/711659836.db2.gz NPIBKHKNDFZTDI-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO CC(C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308999799 527743656 /nfs/dbraw/zinc/74/36/56/527743656.db2.gz NTPWLUHSAQDGAF-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308999800 527742669 /nfs/dbraw/zinc/74/26/69/527742669.db2.gz NTPWLUHSAQDGAF-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308999801 527742399 /nfs/dbraw/zinc/74/23/99/527742399.db2.gz NTPWLUHSAQDGAF-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308999802 527743708 /nfs/dbraw/zinc/74/37/08/527743708.db2.gz NTPWLUHSAQDGAF-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCCCC1 ZINC000309000166 533549650 /nfs/dbraw/zinc/54/96/50/533549650.db2.gz RIGQKVGMTNSIGF-BYNQJWBRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000309000167 533549529 /nfs/dbraw/zinc/54/95/29/533549529.db2.gz RIGQKVGMTNSIGF-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCCCC1 ZINC000309000168 229289399 /nfs/dbraw/zinc/28/93/99/229289399.db2.gz RIGQKVGMTNSIGF-NMKXLXIOSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000309000171 229289082 /nfs/dbraw/zinc/28/90/82/229289082.db2.gz RIGQKVGMTNSIGF-UHXUPSOCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)[C@@H]1C ZINC000309000219 229289474 /nfs/dbraw/zinc/28/94/74/229289474.db2.gz RIYGMIBOGSRTFY-FXPVBKGRSA-N 1 0 243.803 3.578 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)[C@@H]1C ZINC000309000221 533949506 /nfs/dbraw/zinc/94/95/06/533949506.db2.gz RIYGMIBOGSRTFY-KKZNHRDASA-N 1 0 243.803 3.578 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)[C@H]1C ZINC000309000224 229288895 /nfs/dbraw/zinc/28/88/95/229288895.db2.gz RIYGMIBOGSRTFY-WCABBAIRSA-N 1 0 243.803 3.578 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)[C@H]1C ZINC000309000226 533949785 /nfs/dbraw/zinc/94/97/85/533949785.db2.gz RIYGMIBOGSRTFY-YWVKMMECSA-N 1 0 243.803 3.578 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309002733 528267378 /nfs/dbraw/zinc/26/73/78/528267378.db2.gz ORXJLUNVKUFVAY-GHMZBOCLSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309002734 528268320 /nfs/dbraw/zinc/26/83/20/528268320.db2.gz ORXJLUNVKUFVAY-MNOVXSKESA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309002735 528476700 /nfs/dbraw/zinc/47/67/00/528476700.db2.gz ORXJLUNVKUFVAY-QWRGUYRKSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309002736 528476075 /nfs/dbraw/zinc/47/60/75/528476075.db2.gz ORXJLUNVKUFVAY-WDEREUQCSA-N 1 0 219.319 3.589 20 0 BHADRO Cl/C=C/C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309003527 631803384 /nfs/dbraw/zinc/80/33/84/631803384.db2.gz SOJYKLXQAYREMI-DJTWPOEFSA-N 1 0 227.779 3.832 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309003528 631802301 /nfs/dbraw/zinc/80/23/01/631802301.db2.gz SOJYKLXQAYREMI-DUWGPSABSA-N 1 0 227.779 3.832 20 0 BHADRO Cl/C=C\C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309003529 631803070 /nfs/dbraw/zinc/80/30/70/631803070.db2.gz SOJYKLXQAYREMI-JSJZCHLLSA-N 1 0 227.779 3.832 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309003530 631803130 /nfs/dbraw/zinc/80/31/30/631803130.db2.gz SOJYKLXQAYREMI-SBKJXLNCSA-N 1 0 227.779 3.832 20 0 BHADRO C[C@H](C[NH2+]CCC1(F)CCC1)C(C)(C)C ZINC000309003874 491142159 /nfs/dbraw/zinc/14/21/59/491142159.db2.gz OXRRLTJYDMCOPN-LLVKDONJSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](C[NH2+]CCC1(F)CCC1)C(C)(C)C ZINC000309003875 491142205 /nfs/dbraw/zinc/14/22/05/491142205.db2.gz OXRRLTJYDMCOPN-NSHDSACASA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000309003914 631797584 /nfs/dbraw/zinc/79/75/84/631797584.db2.gz OYQIKMGHZZYYLE-GFCCVEGCSA-N 1 0 229.433 3.853 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000309004178 349287264 /nfs/dbraw/zinc/28/72/64/349287264.db2.gz PCFDZDJPPDPGCE-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)C1CCCCCC1 ZINC000309004179 349288069 /nfs/dbraw/zinc/28/80/69/349288069.db2.gz PCFDZDJPPDPGCE-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000309004181 349288045 /nfs/dbraw/zinc/28/80/45/349288045.db2.gz PCFDZDJPPDPGCE-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)C1CCCCCC1 ZINC000309004182 349288123 /nfs/dbraw/zinc/28/81/23/349288123.db2.gz PCFDZDJPPDPGCE-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000309004529 528555758 /nfs/dbraw/zinc/55/57/58/528555758.db2.gz MONQZXGIQRCLOL-SECBINFHSA-N 1 0 229.726 3.930 20 0 BHADRO CCCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000309004530 528554165 /nfs/dbraw/zinc/55/41/65/528554165.db2.gz MONQZXGIQRCLOL-VIFPVBQESA-N 1 0 229.726 3.930 20 0 BHADRO CC(C)(CF)[NH2+]CCC1CCCCCC1 ZINC000309004711 527067416 /nfs/dbraw/zinc/06/74/16/527067416.db2.gz PIRAQQGSSBYLJG-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C/C=C\Cl)c1 ZINC000309005030 631799599 /nfs/dbraw/zinc/79/95/99/631799599.db2.gz PMYWSEUMXUZAPT-QMAVJUDZSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C/C=C\Cl)c1 ZINC000309005031 631798601 /nfs/dbraw/zinc/79/86/01/631798601.db2.gz PMYWSEUMXUZAPT-RXNFCKPNSA-N 1 0 223.747 3.707 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CCC1 ZINC000309005296 527826125 /nfs/dbraw/zinc/82/61/25/527826125.db2.gz PNVAKIAXQNKYDU-GXTWGEPZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC1 ZINC000309005298 527823447 /nfs/dbraw/zinc/82/34/47/527823447.db2.gz PNVAKIAXQNKYDU-JSGCOSHPSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1CCC1 ZINC000309005299 527858728 /nfs/dbraw/zinc/85/87/28/527858728.db2.gz PNVAKIAXQNKYDU-OCCSQVGLSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1CCC1 ZINC000309005300 527859533 /nfs/dbraw/zinc/85/95/33/527859533.db2.gz PNVAKIAXQNKYDU-TZMCWYRMSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C1(C)CC1 ZINC000309005692 631799018 /nfs/dbraw/zinc/79/90/18/631799018.db2.gz PRNVPFQDVNIKBC-GRYCIOLGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C1(C)CC1 ZINC000309005694 631799859 /nfs/dbraw/zinc/79/98/59/631799859.db2.gz PRNVPFQDVNIKBC-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C1(C)CC1 ZINC000309005696 631798534 /nfs/dbraw/zinc/79/85/34/631798534.db2.gz PRNVPFQDVNIKBC-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C1(C)CC1 ZINC000309005698 631799010 /nfs/dbraw/zinc/79/90/10/631799010.db2.gz PRNVPFQDVNIKBC-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1C ZINC000309005817 631798869 /nfs/dbraw/zinc/79/88/69/631798869.db2.gz PTUDPFYQCWPGFM-DJFZKKHWSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1C ZINC000309005818 631799387 /nfs/dbraw/zinc/79/93/87/631799387.db2.gz PTUDPFYQCWPGFM-KMSCOEIWSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1C ZINC000309005820 631799262 /nfs/dbraw/zinc/79/92/62/631799262.db2.gz PTUDPFYQCWPGFM-NTYUQYKDSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1C ZINC000309005821 631798614 /nfs/dbraw/zinc/79/86/14/631798614.db2.gz PTUDPFYQCWPGFM-RPTYSRGTSA-N 1 0 223.747 3.707 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(Cl)c(F)c1 ZINC000309006874 633841474 /nfs/dbraw/zinc/84/14/74/633841474.db2.gz QFGGRMMJLYRGJQ-IBDUZEINSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(Cl)c(F)c1 ZINC000309006875 631799829 /nfs/dbraw/zinc/79/98/29/631799829.db2.gz QFGGRMMJLYRGJQ-NCJLJLRUSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(Cl)c(F)c1 ZINC000309006876 631799621 /nfs/dbraw/zinc/79/96/21/631799621.db2.gz QFGGRMMJLYRGJQ-YAPUSRSVSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(Cl)c(F)c1 ZINC000309006877 631798560 /nfs/dbraw/zinc/79/85/60/631798560.db2.gz QFGGRMMJLYRGJQ-ZTHSNPKKSA-N 1 0 248.128 3.882 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309007362 528476067 /nfs/dbraw/zinc/47/60/67/528476067.db2.gz QJEOMJHJJFVEHE-FPMFFAJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309007365 528475962 /nfs/dbraw/zinc/47/59/62/528475962.db2.gz QJEOMJHJJFVEHE-IACUBPJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309007369 528476887 /nfs/dbraw/zinc/47/68/87/528476887.db2.gz QJEOMJHJJFVEHE-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309007371 528476508 /nfs/dbraw/zinc/47/65/08/528476508.db2.gz QJEOMJHJJFVEHE-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(Cl)s1 ZINC000309007676 323184204 /nfs/dbraw/zinc/18/42/04/323184204.db2.gz QLCCAJMBWYRGOA-MRVPVSSYSA-N 1 0 241.787 3.995 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(Cl)s1 ZINC000309007678 323184228 /nfs/dbraw/zinc/18/42/28/323184228.db2.gz QLCCAJMBWYRGOA-QMMMGPOBSA-N 1 0 241.787 3.995 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000309007687 527406514 /nfs/dbraw/zinc/40/65/14/527406514.db2.gz QLLPNUSEMQNMLU-UHFFFAOYSA-N 1 0 223.747 3.786 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1csc(Cl)c1 ZINC000309007690 323184229 /nfs/dbraw/zinc/18/42/29/323184229.db2.gz QLOLFFFIAPPNTL-MRVPVSSYSA-N 1 0 241.787 3.995 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1csc(Cl)c1 ZINC000309007691 323184195 /nfs/dbraw/zinc/18/41/95/323184195.db2.gz QLOLFFFIAPPNTL-QMMMGPOBSA-N 1 0 241.787 3.995 20 0 BHADRO CC(C)([NH2+]Cc1cccs1)c1cccs1 ZINC000309008660 527295234 /nfs/dbraw/zinc/29/52/34/527295234.db2.gz QXBJPTHOCJMGFV-UHFFFAOYSA-N 1 0 237.393 3.835 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000309009303 166570955 /nfs/dbraw/zinc/57/09/55/166570955.db2.gz RDXQSYSBCVOPST-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000309009527 527619158 /nfs/dbraw/zinc/61/91/58/527619158.db2.gz WDNXBGHYRNUXOC-GFCCVEGCSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000309009528 527618969 /nfs/dbraw/zinc/61/89/69/527618969.db2.gz WDNXBGHYRNUXOC-LBPRGKRZSA-N 1 0 209.377 3.757 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCS[C@H]1C ZINC000309009632 491142271 /nfs/dbraw/zinc/14/22/71/491142271.db2.gz RFKCAPRRKJZFOS-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000309009633 491142230 /nfs/dbraw/zinc/14/22/30/491142230.db2.gz RFKCAPRRKJZFOS-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCS[C@@H]1C ZINC000309009634 491142220 /nfs/dbraw/zinc/14/22/20/491142220.db2.gz RFKCAPRRKJZFOS-UTUOFQBUSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCS[C@H]1C ZINC000309009635 491142249 /nfs/dbraw/zinc/14/22/49/491142249.db2.gz RFKCAPRRKJZFOS-WOPDTQHZSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)CCCCCC[NH2+]CC1(F)CC1 ZINC000309009941 631796910 /nfs/dbraw/zinc/79/69/10/631796910.db2.gz RIUCCRYWBLPSQU-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccs1 ZINC000309010033 529662865 /nfs/dbraw/zinc/66/28/65/529662865.db2.gz WKWBXVGOIBVEJF-FIQHERPVSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccs1 ZINC000309010034 529662547 /nfs/dbraw/zinc/66/25/47/529662547.db2.gz WKWBXVGOIBVEJF-NOOOWODRSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccs1 ZINC000309010035 529662583 /nfs/dbraw/zinc/66/25/83/529662583.db2.gz WKWBXVGOIBVEJF-WHOHXGKFSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccs1 ZINC000309010036 529662512 /nfs/dbraw/zinc/66/25/12/529662512.db2.gz WKWBXVGOIBVEJF-WISYIIOYSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCC1CC1 ZINC000309010200 346952745 /nfs/dbraw/zinc/95/27/45/346952745.db2.gz ROEZNYUOLBCWNX-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCC1CC1 ZINC000309010202 323184223 /nfs/dbraw/zinc/18/42/23/323184223.db2.gz ROEZNYUOLBCWNX-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000309012187 385061306 /nfs/dbraw/zinc/06/13/06/385061306.db2.gz SGLUNTKDZDVYME-KBPBESRZSA-N 1 0 209.377 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)CCC(C)C)CC1 ZINC000309012191 262725880 /nfs/dbraw/zinc/72/58/80/262725880.db2.gz SGLUNTKDZDVYME-KGLIPLIRSA-N 1 0 209.377 3.900 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000309012415 259341505 /nfs/dbraw/zinc/34/15/05/259341505.db2.gz SGLUNTKDZDVYME-UONOGXRCSA-N 1 0 209.377 3.900 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)CCC(C)C)CC1 ZINC000309012418 259341800 /nfs/dbraw/zinc/34/18/00/259341800.db2.gz SGLUNTKDZDVYME-ZIAGYGMSSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000309013083 229297604 /nfs/dbraw/zinc/29/76/04/229297604.db2.gz SOTYWQNHNMHGOU-NXEZZACHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000309013084 229297884 /nfs/dbraw/zinc/29/78/84/229297884.db2.gz SOTYWQNHNMHGOU-UWVGGRQHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(Cl)cc1 ZINC000309013085 229298247 /nfs/dbraw/zinc/29/82/47/229298247.db2.gz SOTYWQNHNMHGOU-VHSXEESVSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000309013086 229297747 /nfs/dbraw/zinc/29/77/47/229297747.db2.gz SOTYWQNHNMHGOU-ZJUUUORDSA-N 1 0 229.726 3.739 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309013498 527844261 /nfs/dbraw/zinc/84/42/61/527844261.db2.gz SRJJZHSHQXDJTR-FPMFFAJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309013499 527844858 /nfs/dbraw/zinc/84/48/58/527844858.db2.gz SRJJZHSHQXDJTR-IACUBPJLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309013500 527844910 /nfs/dbraw/zinc/84/49/10/527844910.db2.gz SRJJZHSHQXDJTR-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309013501 527844567 /nfs/dbraw/zinc/84/45/67/527844567.db2.gz SRJJZHSHQXDJTR-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(CC1CCCCCC1)[NH2+]CCF ZINC000309014406 526983037 /nfs/dbraw/zinc/98/30/37/526983037.db2.gz TUVQBCPJZBHWNY-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)([NH2+]CC1CCCC1)c1cccs1 ZINC000309014764 527290852 /nfs/dbraw/zinc/29/08/52/527290852.db2.gz TYVXAUUZLXUHFC-UHFFFAOYSA-N 1 0 223.385 3.763 20 0 BHADRO CC(C)SCC[NH2+]C(C)(C)c1cccs1 ZINC000309014784 528318796 /nfs/dbraw/zinc/31/87/96/528318796.db2.gz TZHSZKKUHSWUAV-UHFFFAOYSA-N 1 0 243.441 3.714 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)CCC1CC1 ZINC000309014945 491142395 /nfs/dbraw/zinc/14/23/95/491142395.db2.gz TZYWGWCHBBPQID-BNOWGMLFSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000309014947 491142431 /nfs/dbraw/zinc/14/24/31/491142431.db2.gz TZYWGWCHBBPQID-KWCYVHTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000309014949 491142455 /nfs/dbraw/zinc/14/24/55/491142455.db2.gz TZYWGWCHBBPQID-MRVWCRGKSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCC1CC1 ZINC000309014950 491142406 /nfs/dbraw/zinc/14/24/06/491142406.db2.gz TZYWGWCHBBPQID-XBFCOCLRSA-N 1 0 209.377 3.589 20 0 BHADRO CSCC[C@@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000309015519 631801661 /nfs/dbraw/zinc/80/16/61/631801661.db2.gz QUUIPGCEUYNUMQ-MRVPVSSYSA-N 1 0 244.791 3.597 20 0 BHADRO CSCC[C@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000309015520 631801140 /nfs/dbraw/zinc/80/11/40/631801140.db2.gz QUUIPGCEUYNUMQ-QMMMGPOBSA-N 1 0 244.791 3.597 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)C1CCC1 ZINC000309015686 533355296 /nfs/dbraw/zinc/35/52/96/533355296.db2.gz UIOUOBSEDQUFGC-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)C1CCC1 ZINC000309015687 229299110 /nfs/dbraw/zinc/29/91/10/229299110.db2.gz UIOUOBSEDQUFGC-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C(C)(C)C ZINC000309016019 349304750 /nfs/dbraw/zinc/30/47/50/349304750.db2.gz UMTFWHOSLOTORO-DTWKUNHWSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C(C)(C)C ZINC000309016021 349304798 /nfs/dbraw/zinc/30/47/98/349304798.db2.gz UMTFWHOSLOTORO-RKDXNWHRSA-N 1 0 225.298 3.742 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309018344 527670741 /nfs/dbraw/zinc/67/07/41/527670741.db2.gz VOXHPIZACVPKSW-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309018345 527671129 /nfs/dbraw/zinc/67/11/29/527671129.db2.gz VOXHPIZACVPKSW-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000309018767 491142461 /nfs/dbraw/zinc/14/24/61/491142461.db2.gz VSMWIISDMHRGPR-GHMZBOCLSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000309018768 491142480 /nfs/dbraw/zinc/14/24/80/491142480.db2.gz VSMWIISDMHRGPR-MNOVXSKESA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000309018769 491142463 /nfs/dbraw/zinc/14/24/63/491142463.db2.gz VSMWIISDMHRGPR-QWRGUYRKSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000309018770 491142516 /nfs/dbraw/zinc/14/25/16/491142516.db2.gz VSMWIISDMHRGPR-WDEREUQCSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309018981 491142523 /nfs/dbraw/zinc/14/25/23/491142523.db2.gz VWGNIDVFXWTURD-AWEZNQCLSA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309018982 491142485 /nfs/dbraw/zinc/14/24/85/491142485.db2.gz VWGNIDVFXWTURD-CQSZACIVSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CC1(C)C ZINC000309020728 631803528 /nfs/dbraw/zinc/80/35/28/631803528.db2.gz WTCRDHZJVNDXOV-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC1(C)C ZINC000309020729 631802694 /nfs/dbraw/zinc/80/26/94/631802694.db2.gz WTCRDHZJVNDXOV-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC1(C)C ZINC000309020730 631802754 /nfs/dbraw/zinc/80/27/54/631802754.db2.gz WTCRDHZJVNDXOV-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CC1(C)C ZINC000309020731 631803407 /nfs/dbraw/zinc/80/34/07/631803407.db2.gz WTCRDHZJVNDXOV-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC000309020748 323190203 /nfs/dbraw/zinc/19/02/03/323190203.db2.gz WTKOSQYFBBSPAK-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC000309020749 323190313 /nfs/dbraw/zinc/19/03/13/323190313.db2.gz WTKOSQYFBBSPAK-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C1[C@@H]([NH2+]C2CCCCCC2)C12CCCC2 ZINC000309020996 526423754 /nfs/dbraw/zinc/42/37/54/526423754.db2.gz WZLIENOZFYQQHX-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1[C@H]([NH2+]C2CCCCCC2)C12CCCC2 ZINC000309020997 526423882 /nfs/dbraw/zinc/42/38/82/526423882.db2.gz WZLIENOZFYQQHX-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1cccs1 ZINC000309021359 491142760 /nfs/dbraw/zinc/14/27/60/491142760.db2.gz XEOPANXKFABZTK-UHFFFAOYSA-N 1 0 237.290 3.569 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000309021842 229300477 /nfs/dbraw/zinc/30/04/77/229300477.db2.gz XQENSXNPTIFQDA-NXEZZACHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309021844 229300884 /nfs/dbraw/zinc/30/08/84/229300884.db2.gz XQENSXNPTIFQDA-UWVGGRQHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(Cl)c1 ZINC000309021846 229300294 /nfs/dbraw/zinc/30/02/94/229300294.db2.gz XQENSXNPTIFQDA-VHSXEESVSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309021848 229300748 /nfs/dbraw/zinc/30/07/48/229300748.db2.gz XQENSXNPTIFQDA-ZJUUUORDSA-N 1 0 229.726 3.739 20 0 BHADRO CC(C)[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309022137 528586490 /nfs/dbraw/zinc/58/64/90/528586490.db2.gz XTBYAUDZTUPGIX-GFCCVEGCSA-N 1 0 229.726 3.596 20 0 BHADRO CC(C)[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309022138 529120644 /nfs/dbraw/zinc/12/06/44/529120644.db2.gz XTBYAUDZTUPGIX-LBPRGKRZSA-N 1 0 229.726 3.596 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)CF ZINC000309023045 533828201 /nfs/dbraw/zinc/82/82/01/533828201.db2.gz YLAQTYNJSNGSSN-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000309023049 534006644 /nfs/dbraw/zinc/00/66/44/534006644.db2.gz YLAQTYNJSNGSSN-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000309023053 533703100 /nfs/dbraw/zinc/70/31/00/533703100.db2.gz YLAQTYNJSNGSSN-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)CCC1CCCCC1 ZINC000309023057 534006604 /nfs/dbraw/zinc/00/66/04/534006604.db2.gz YLAQTYNJSNGSSN-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)CC2CCC2)C1 ZINC000309023515 491142775 /nfs/dbraw/zinc/14/27/75/491142775.db2.gz YRLGZSDYHXOADJ-LMWSTFAQSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)CC2CCC2)C1 ZINC000309023517 491142773 /nfs/dbraw/zinc/14/27/73/491142773.db2.gz YRLGZSDYHXOADJ-XGNXJENSSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000309023555 527406225 /nfs/dbraw/zinc/40/62/25/527406225.db2.gz YRZSDYRFUKHTKB-JTQLQIEISA-N 1 0 223.282 3.663 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000309023740 527408220 /nfs/dbraw/zinc/40/82/20/527408220.db2.gz YRZSDYRFUKHTKB-SNVBAGLBSA-N 1 0 223.282 3.663 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)CC1CCCC1 ZINC000309024863 528320519 /nfs/dbraw/zinc/32/05/19/528320519.db2.gz ZJKRIFOVUUEDNL-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)CC1CCCC1 ZINC000309024864 528320769 /nfs/dbraw/zinc/32/07/69/528320769.db2.gz ZJKRIFOVUUEDNL-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccccc1Cl ZINC000309025197 229299548 /nfs/dbraw/zinc/29/95/48/229299548.db2.gz ZLGQTIXGOWSLPP-NXEZZACHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000309025202 229299484 /nfs/dbraw/zinc/29/94/84/229299484.db2.gz ZLGQTIXGOWSLPP-UWVGGRQHSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1Cl ZINC000309025207 229299271 /nfs/dbraw/zinc/29/92/71/229299271.db2.gz ZLGQTIXGOWSLPP-VHSXEESVSA-N 1 0 229.726 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000309025211 229299102 /nfs/dbraw/zinc/29/91/02/229299102.db2.gz ZLGQTIXGOWSLPP-ZJUUUORDSA-N 1 0 229.726 3.739 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCCCCC1 ZINC000309025291 491086917 /nfs/dbraw/zinc/08/69/17/491086917.db2.gz ZNTJLRXNPBDESY-KBPBESRZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCCCCC1 ZINC000309025292 491142842 /nfs/dbraw/zinc/14/28/42/491142842.db2.gz ZNTJLRXNPBDESY-KGLIPLIRSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000309025293 491142837 /nfs/dbraw/zinc/14/28/37/491142837.db2.gz ZNTJLRXNPBDESY-UONOGXRCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000309025294 491142806 /nfs/dbraw/zinc/14/28/06/491142806.db2.gz ZNTJLRXNPBDESY-ZIAGYGMSSA-N 1 0 209.377 3.733 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000309026343 631806558 /nfs/dbraw/zinc/80/65/58/631806558.db2.gz ATPYMICRVTZFRL-GARACOKWSA-N 1 0 207.361 3.511 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000309026344 631804269 /nfs/dbraw/zinc/80/42/69/631804269.db2.gz ATPYMICRVTZFRL-KAAMAIQLSA-N 1 0 207.361 3.511 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000309026345 631805049 /nfs/dbraw/zinc/80/50/49/631805049.db2.gz ATPYMICRVTZFRL-OBWBURBDSA-N 1 0 207.361 3.511 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000309026346 631804820 /nfs/dbraw/zinc/80/48/20/631804820.db2.gz ATPYMICRVTZFRL-RCWDGGQMSA-N 1 0 207.361 3.511 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309026779 528533320 /nfs/dbraw/zinc/53/33/20/528533320.db2.gz BBDMLJFXKHBEDM-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309026780 528533394 /nfs/dbraw/zinc/53/33/94/528533394.db2.gz BBDMLJFXKHBEDM-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO CCSCC[NH2+]CC1(CC(C)C)CCC1 ZINC000309027106 385377001 /nfs/dbraw/zinc/37/70/01/385377001.db2.gz BGKBPYKTPDHHLE-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000309028500 529178162 /nfs/dbraw/zinc/17/81/62/529178162.db2.gz CEGGNVQKKSQDOS-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309028502 529178273 /nfs/dbraw/zinc/17/82/73/529178273.db2.gz CEGGNVQKKSQDOS-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000309028504 529178105 /nfs/dbraw/zinc/17/81/05/529178105.db2.gz CEGGNVQKKSQDOS-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309028506 256605967 /nfs/dbraw/zinc/60/59/67/256605967.db2.gz CEGGNVQKKSQDOS-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000309031232 229310306 /nfs/dbraw/zinc/31/03/06/229310306.db2.gz BROOOMMGMIXNLQ-NOZJJQNGSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H]1C ZINC000309031233 229310099 /nfs/dbraw/zinc/31/00/99/229310099.db2.gz BROOOMMGMIXNLQ-RNCFNFMXSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000309031234 229309813 /nfs/dbraw/zinc/30/98/13/229309813.db2.gz BROOOMMGMIXNLQ-TVQRCGJNSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000309031235 229310302 /nfs/dbraw/zinc/31/03/02/229310302.db2.gz BROOOMMGMIXNLQ-ZANVPECISA-N 1 0 223.747 3.537 20 0 BHADRO CC[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000309032534 528276447 /nfs/dbraw/zinc/27/64/47/528276447.db2.gz FUPUKHAVYZNYAP-UHFFFAOYSA-N 1 0 244.165 3.982 20 0 BHADRO CCC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000309032722 528547799 /nfs/dbraw/zinc/54/77/99/528547799.db2.gz FYCJUSULHNCMST-GWCFXTLKSA-N 1 0 223.747 3.575 20 0 BHADRO CCC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000309032723 528560858 /nfs/dbraw/zinc/56/08/58/528560858.db2.gz FYCJUSULHNCMST-GXFFZTMASA-N 1 0 223.747 3.575 20 0 BHADRO CCC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000309032724 528548042 /nfs/dbraw/zinc/54/80/42/528548042.db2.gz FYCJUSULHNCMST-MFKMUULPSA-N 1 0 223.747 3.575 20 0 BHADRO CCC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000309032725 528561693 /nfs/dbraw/zinc/56/16/93/528561693.db2.gz FYCJUSULHNCMST-ZWNOBZJWSA-N 1 0 223.747 3.575 20 0 BHADRO CC[C@H](C)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309032839 529667792 /nfs/dbraw/zinc/66/77/92/529667792.db2.gz GCBUSAGQZGSMQC-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309032840 529326714 /nfs/dbraw/zinc/32/67/14/529326714.db2.gz GCBUSAGQZGSMQC-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309032859 528107000 /nfs/dbraw/zinc/10/70/00/528107000.db2.gz GDJJNQMGHHUCSW-AVGNSLFASA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309032860 528107043 /nfs/dbraw/zinc/10/70/43/528107043.db2.gz GDJJNQMGHHUCSW-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309032861 528108197 /nfs/dbraw/zinc/10/81/97/528108197.db2.gz GDJJNQMGHHUCSW-XQQFMLRXSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309032862 528106768 /nfs/dbraw/zinc/10/67/68/528106768.db2.gz GDJJNQMGHHUCSW-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO Cc1sccc1C[NH2+]CCC1CCCC1 ZINC000309033332 180564352 /nfs/dbraw/zinc/56/43/52/180564352.db2.gz DBHHYSJSYBWRJP-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC1(C)C)SC ZINC000309033856 632618500 /nfs/dbraw/zinc/61/85/00/632618500.db2.gz DPMOEKQZUKILMN-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC1(C)C)SC ZINC000309033858 632619052 /nfs/dbraw/zinc/61/90/52/632619052.db2.gz DPMOEKQZUKILMN-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CCC1 ZINC000309034534 528993672 /nfs/dbraw/zinc/99/36/72/528993672.db2.gz HHUCTBPHILRWPT-BNOWGMLFSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C1CCC1 ZINC000309034535 528993712 /nfs/dbraw/zinc/99/37/12/528993712.db2.gz HHUCTBPHILRWPT-UBHSHLNASA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CCC1 ZINC000309034536 528993205 /nfs/dbraw/zinc/99/32/05/528993205.db2.gz HHUCTBPHILRWPT-XBFCOCLRSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)C1CCC1 ZINC000309034537 528993643 /nfs/dbraw/zinc/99/36/43/528993643.db2.gz HHUCTBPHILRWPT-YUTCNCBUSA-N 1 0 209.377 3.591 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000309035941 491143064 /nfs/dbraw/zinc/14/30/64/491143064.db2.gz ICMPBEDPSHHOHG-CDAZIORVSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000309035942 491051962 /nfs/dbraw/zinc/05/19/62/491051962.db2.gz ICMPBEDPSHHOHG-NWALNABHSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000309035943 491143050 /nfs/dbraw/zinc/14/30/50/491143050.db2.gz ICMPBEDPSHHOHG-TYRPZCRBSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000309035944 491143056 /nfs/dbraw/zinc/14/30/56/491143056.db2.gz ICMPBEDPSHHOHG-ZBJFTSOASA-N 1 0 227.710 3.706 20 0 BHADRO CCCCC[NH2+]CCc1cccc(Cl)c1 ZINC000309036111 528215428 /nfs/dbraw/zinc/21/54/28/528215428.db2.gz IEQUSYBKVMGHKE-UHFFFAOYSA-N 1 0 225.763 3.662 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC000309037195 385374459 /nfs/dbraw/zinc/37/44/59/385374459.db2.gz GUOGYPWRWVQTPH-JTQLQIEISA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC000309037196 385374017 /nfs/dbraw/zinc/37/40/17/385374017.db2.gz GUOGYPWRWVQTPH-SNVBAGLBSA-N 1 0 243.441 3.678 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)cs1 ZINC000309037686 178040472 /nfs/dbraw/zinc/04/04/72/178040472.db2.gz HGNQHLRDBNHQAP-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)cs1 ZINC000309037687 178033640 /nfs/dbraw/zinc/03/36/40/178033640.db2.gz HGNQHLRDBNHQAP-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)cs1 ZINC000309037688 178039912 /nfs/dbraw/zinc/03/99/12/178039912.db2.gz HGNQHLRDBNHQAP-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cs1 ZINC000309037689 178033893 /nfs/dbraw/zinc/03/38/93/178033893.db2.gz HGNQHLRDBNHQAP-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CC1 ZINC000309037925 385375898 /nfs/dbraw/zinc/37/58/98/385375898.db2.gz HMXXWSYREVWBPA-BNOWGMLFSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CC1 ZINC000309037926 527850634 /nfs/dbraw/zinc/85/06/34/527850634.db2.gz HMXXWSYREVWBPA-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC[C@H]1C)C1CC1 ZINC000309037927 527850085 /nfs/dbraw/zinc/85/00/85/527850085.db2.gz HMXXWSYREVWBPA-XBFCOCLRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CC1 ZINC000309037928 527850823 /nfs/dbraw/zinc/85/08/23/527850823.db2.gz HMXXWSYREVWBPA-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CCCC2)cs1 ZINC000309038779 178020608 /nfs/dbraw/zinc/02/06/08/178020608.db2.gz IFAKTWVGSFRDGR-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000309039561 528470073 /nfs/dbraw/zinc/47/00/73/528470073.db2.gz KKJDWFRQUVDKRK-UHFFFAOYSA-N 1 0 229.726 3.714 20 0 BHADRO CCc1ccc(C[NH2+]C2CC(C)(C)C2)s1 ZINC000309040276 529651692 /nfs/dbraw/zinc/65/16/92/529651692.db2.gz KTQZSRNACUOTGC-UHFFFAOYSA-N 1 0 223.385 3.589 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCC2CC2)CCC1 ZINC000309040449 168481970 /nfs/dbraw/zinc/48/19/70/168481970.db2.gz KXHZNUBLZPPVKE-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCC2CC2)CCC1 ZINC000309040450 385377610 /nfs/dbraw/zinc/37/76/10/385377610.db2.gz KXHZNUBLZPPVKE-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309040999 631822986 /nfs/dbraw/zinc/82/29/86/631822986.db2.gz LFRDNRRHCVDYBL-BFHYXJOUSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309041001 631823714 /nfs/dbraw/zinc/82/37/14/631823714.db2.gz LFRDNRRHCVDYBL-MCIONIFRSA-N 1 0 209.377 3.735 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cccc(C)c1C ZINC000309042187 491143245 /nfs/dbraw/zinc/14/32/45/491143245.db2.gz LXTJBVYOCUNBDI-CFHLNLSMSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000309042188 491143222 /nfs/dbraw/zinc/14/32/22/491143222.db2.gz LXTJBVYOCUNBDI-GFUIURDCSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000309042189 491143260 /nfs/dbraw/zinc/14/32/60/491143260.db2.gz LXTJBVYOCUNBDI-SZZPACECSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cccc(C)c1C ZINC000309042190 491143214 /nfs/dbraw/zinc/14/32/14/491143214.db2.gz LXTJBVYOCUNBDI-URWSZGRFSA-N 1 0 203.329 3.530 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000309043963 534201548 /nfs/dbraw/zinc/20/15/48/534201548.db2.gz LTSXPNXXZHOBPJ-PELKAZGASA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000309043964 534263559 /nfs/dbraw/zinc/26/35/59/534263559.db2.gz LTSXPNXXZHOBPJ-PRHODGIISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000309043965 229311492 /nfs/dbraw/zinc/31/14/92/229311492.db2.gz LTSXPNXXZHOBPJ-QPUJVOFHSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000309043966 533722639 /nfs/dbraw/zinc/72/26/39/533722639.db2.gz LTSXPNXXZHOBPJ-UFBFGSQYSA-N 1 0 244.165 3.882 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000309044759 711586212 /nfs/dbraw/zinc/58/62/12/711586212.db2.gz NRAAAJMXBDZYMZ-CYBMUJFWSA-N 1 0 209.377 3.879 20 0 BHADRO CCCCCC[NH2+][C@H]1CCC12CCCC2 ZINC000309044760 711585870 /nfs/dbraw/zinc/58/58/70/711585870.db2.gz NRAAAJMXBDZYMZ-ZDUSSCGKSA-N 1 0 209.377 3.879 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000309044789 491052146 /nfs/dbraw/zinc/05/21/46/491052146.db2.gz NSOYDTNPZCFAQH-CDAZIORVSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000309044790 491143296 /nfs/dbraw/zinc/14/32/96/491143296.db2.gz NSOYDTNPZCFAQH-NWALNABHSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000309044791 491143349 /nfs/dbraw/zinc/14/33/49/491143349.db2.gz NSOYDTNPZCFAQH-TYRPZCRBSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000309044792 491143354 /nfs/dbraw/zinc/14/33/54/491143354.db2.gz NSOYDTNPZCFAQH-ZBJFTSOASA-N 1 0 227.710 3.706 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000309049083 632627202 /nfs/dbraw/zinc/62/72/02/632627202.db2.gz OLIBKPSLBQRCHC-CDMKHQONSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309049084 631825324 /nfs/dbraw/zinc/82/53/24/631825324.db2.gz OLIBKPSLBQRCHC-IRUJWGPZSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309049085 631825917 /nfs/dbraw/zinc/82/59/17/631825917.db2.gz OLIBKPSLBQRCHC-SUZMYJTESA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000309049086 631825389 /nfs/dbraw/zinc/82/53/89/631825389.db2.gz OLIBKPSLBQRCHC-XWIASGKRSA-N 1 0 221.369 3.587 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000309049312 528533658 /nfs/dbraw/zinc/53/36/58/528533658.db2.gz PYBLGTWKNOGSGE-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000309049313 528534296 /nfs/dbraw/zinc/53/42/96/528534296.db2.gz PYBLGTWKNOGSGE-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000309049314 528532787 /nfs/dbraw/zinc/53/27/87/528532787.db2.gz PYBLGTWKNOGSGE-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000309049315 528534687 /nfs/dbraw/zinc/53/46/87/528534687.db2.gz PYBLGTWKNOGSGE-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CCSCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000309049630 632626975 /nfs/dbraw/zinc/62/69/75/632626975.db2.gz QDNPJPCELDBDFQ-LLVKDONJSA-N 1 0 249.489 3.639 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000309049631 632628928 /nfs/dbraw/zinc/62/89/28/632628928.db2.gz QDNPJPCELDBDFQ-NSHDSACASA-N 1 0 249.489 3.639 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000309050160 534201530 /nfs/dbraw/zinc/20/15/30/534201530.db2.gz PDKRGGFOZKISJE-PELKAZGASA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000309050161 385384406 /nfs/dbraw/zinc/38/44/06/385384406.db2.gz PDKRGGFOZKISJE-PRHODGIISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000309050162 229311606 /nfs/dbraw/zinc/31/16/06/229311606.db2.gz PDKRGGFOZKISJE-QPUJVOFHSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000309050163 533723738 /nfs/dbraw/zinc/72/37/38/533723738.db2.gz PDKRGGFOZKISJE-UFBFGSQYSA-N 1 0 244.165 3.882 20 0 BHADRO CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000309050285 528276813 /nfs/dbraw/zinc/27/68/13/528276813.db2.gz QSBXUFMDYLWKPQ-UHFFFAOYSA-N 1 0 223.747 3.719 20 0 BHADRO CCSCC[NH2+]CCC1=CCCCCC1 ZINC000309050289 529180795 /nfs/dbraw/zinc/18/07/95/529180795.db2.gz QSDNDYZAUFUTQI-UHFFFAOYSA-N 1 0 227.417 3.610 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000309051664 491143699 /nfs/dbraw/zinc/14/36/99/491143699.db2.gz RIHWKYSPDWQYTB-CFHLNLSMSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000309051665 491143674 /nfs/dbraw/zinc/14/36/74/491143674.db2.gz RIHWKYSPDWQYTB-GFUIURDCSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000309051666 491143654 /nfs/dbraw/zinc/14/36/54/491143654.db2.gz RIHWKYSPDWQYTB-SZZPACECSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000309051667 491143665 /nfs/dbraw/zinc/14/36/65/491143665.db2.gz RIHWKYSPDWQYTB-URWSZGRFSA-N 1 0 203.329 3.530 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000309052764 534201863 /nfs/dbraw/zinc/20/18/63/534201863.db2.gz QSWWESCBAILPIS-PELKAZGASA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000309052765 534263688 /nfs/dbraw/zinc/26/36/88/534263688.db2.gz QSWWESCBAILPIS-PRHODGIISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000309052766 229314595 /nfs/dbraw/zinc/31/45/95/229314595.db2.gz QSWWESCBAILPIS-QPUJVOFHSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000309052767 533723190 /nfs/dbraw/zinc/72/31/90/533723190.db2.gz QSWWESCBAILPIS-UFBFGSQYSA-N 1 0 244.165 3.882 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C2CCCC2)cs1 ZINC000309053745 178036349 /nfs/dbraw/zinc/03/63/49/178036349.db2.gz RITZYGVVJHHRGD-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CC[C@H](C)CC1 ZINC000309053968 229314667 /nfs/dbraw/zinc/31/46/67/229314667.db2.gz RNWVIZJZARTVJE-MJHDQNEOSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+]C1CCC(C)CC1 ZINC000309053969 385385397 /nfs/dbraw/zinc/38/53/97/385385397.db2.gz RNWVIZJZARTVJE-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000309054180 533919803 /nfs/dbraw/zinc/91/98/03/533919803.db2.gz RSNVNNBRTXKPAP-UHFFFAOYSA-N 1 0 223.747 3.634 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309054713 534481780 /nfs/dbraw/zinc/48/17/80/534481780.db2.gz SFOHOWDNHFFPDW-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309054714 534481578 /nfs/dbraw/zinc/48/15/78/534481578.db2.gz SFOHOWDNHFFPDW-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309054715 229314765 /nfs/dbraw/zinc/31/47/65/229314765.db2.gz SFOHOWDNHFFPDW-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309054716 229313952 /nfs/dbraw/zinc/31/39/52/229313952.db2.gz SFOHOWDNHFFPDW-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000309056479 529438819 /nfs/dbraw/zinc/43/88/19/529438819.db2.gz USOYMTGYFYOTSG-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000309056480 529438395 /nfs/dbraw/zinc/43/83/95/529438395.db2.gz USOYMTGYFYOTSG-SDDRHHMPSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000309056481 529438503 /nfs/dbraw/zinc/43/85/03/529438503.db2.gz USOYMTGYFYOTSG-SRVKXCTJSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000309056482 529438565 /nfs/dbraw/zinc/43/85/65/529438565.db2.gz USOYMTGYFYOTSG-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C ZINC000309057482 528652783 /nfs/dbraw/zinc/65/27/83/528652783.db2.gz UAVDWNDMXMTRAE-FQUUOJAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C ZINC000309057483 528652584 /nfs/dbraw/zinc/65/25/84/528652584.db2.gz UAVDWNDMXMTRAE-RFGFWPKPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C ZINC000309057484 528652838 /nfs/dbraw/zinc/65/28/38/528652838.db2.gz UAVDWNDMXMTRAE-RQJABVFESA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C ZINC000309057485 528652612 /nfs/dbraw/zinc/65/26/12/528652612.db2.gz UAVDWNDMXMTRAE-XUXIUFHCSA-N 1 0 209.377 3.589 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309058331 491143592 /nfs/dbraw/zinc/14/35/92/491143592.db2.gz VKXGENKSHRNQBA-CFHLNLSMSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309058332 491143624 /nfs/dbraw/zinc/14/36/24/491143624.db2.gz VKXGENKSHRNQBA-GFUIURDCSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309058333 491143619 /nfs/dbraw/zinc/14/36/19/491143619.db2.gz VKXGENKSHRNQBA-SZZPACECSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309058334 491143610 /nfs/dbraw/zinc/14/36/10/491143610.db2.gz VKXGENKSHRNQBA-URWSZGRFSA-N 1 0 203.329 3.530 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)cs1 ZINC000309059093 178040693 /nfs/dbraw/zinc/04/06/93/178040693.db2.gz UWMWILYREYOFRZ-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)cs1 ZINC000309059094 178032879 /nfs/dbraw/zinc/03/28/79/178032879.db2.gz UWMWILYREYOFRZ-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C)cs1 ZINC000309059096 178039425 /nfs/dbraw/zinc/03/94/25/178039425.db2.gz UWMWILYREYOFRZ-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)cs1 ZINC000309059097 178033207 /nfs/dbraw/zinc/03/32/07/178033207.db2.gz UWMWILYREYOFRZ-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)c1ccsc1 ZINC000309059324 384838062 /nfs/dbraw/zinc/83/80/62/384838062.db2.gz VTAJVIRZHULCJD-GFCCVEGCSA-N 1 0 229.364 3.929 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)c1ccsc1 ZINC000309059326 169510728 /nfs/dbraw/zinc/51/07/28/169510728.db2.gz VTAJVIRZHULCJD-LBPRGKRZSA-N 1 0 229.364 3.929 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309059421 385396151 /nfs/dbraw/zinc/39/61/51/385396151.db2.gz UZVJEEBQHPVDLP-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000309059423 180566390 /nfs/dbraw/zinc/56/63/90/180566390.db2.gz UZVJEEBQHPVDLP-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000309059745 528472117 /nfs/dbraw/zinc/47/21/17/528472117.db2.gz VWNFDDYMNRSHGM-UHFFFAOYSA-N 1 0 244.165 3.982 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000309060343 491143626 /nfs/dbraw/zinc/14/36/26/491143626.db2.gz WCPOZHCBATZAPZ-CDAZIORVSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000309060344 491143599 /nfs/dbraw/zinc/14/35/99/491143599.db2.gz WCPOZHCBATZAPZ-NWALNABHSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000309060345 491143639 /nfs/dbraw/zinc/14/36/39/491143639.db2.gz WCPOZHCBATZAPZ-TYRPZCRBSA-N 1 0 227.710 3.706 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000309060346 491143584 /nfs/dbraw/zinc/14/35/84/491143584.db2.gz WCPOZHCBATZAPZ-ZBJFTSOASA-N 1 0 227.710 3.706 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC2(C)C)cs1 ZINC000309060690 178033529 /nfs/dbraw/zinc/03/35/29/178033529.db2.gz VPLAZIGMQXJPGR-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC2(C)C)cs1 ZINC000309060691 178040157 /nfs/dbraw/zinc/04/01/57/178040157.db2.gz VPLAZIGMQXJPGR-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccsc2)cs1 ZINC000309061176 491143807 /nfs/dbraw/zinc/14/38/07/491143807.db2.gz VZUGEJQWTZSPNE-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccsc2)cs1 ZINC000309061177 491143814 /nfs/dbraw/zinc/14/38/14/491143814.db2.gz VZUGEJQWTZSPNE-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO CCSCC[C@H](C)[NH2+]Cc1ccsc1C ZINC000309061954 385397492 /nfs/dbraw/zinc/39/74/92/385397492.db2.gz WLBDHTUFQAISGG-JTQLQIEISA-N 1 0 243.441 3.678 20 0 BHADRO CCSCC[C@@H](C)[NH2+]Cc1ccsc1C ZINC000309061955 385397069 /nfs/dbraw/zinc/39/70/69/385397069.db2.gz WLBDHTUFQAISGG-SNVBAGLBSA-N 1 0 243.441 3.678 20 0 BHADRO CCc1cccc(C[NH2+]C(C)(C)CC)c1 ZINC000309063719 349829703 /nfs/dbraw/zinc/82/97/03/349829703.db2.gz YETMCTQHKRVRJQ-UHFFFAOYSA-N 1 0 205.345 3.527 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H](SC)C(C)(C)C ZINC000309063955 528922957 /nfs/dbraw/zinc/92/29/57/528922957.db2.gz YHNLXWPNUBJHGG-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000309063956 528105235 /nfs/dbraw/zinc/10/52/35/528105235.db2.gz YHNLXWPNUBJHGG-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H](SC)C(C)(C)C ZINC000309063957 528105408 /nfs/dbraw/zinc/10/54/08/528105408.db2.gz YHNLXWPNUBJHGG-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000309063958 528923513 /nfs/dbraw/zinc/92/35/13/528923513.db2.gz YHNLXWPNUBJHGG-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC1(C)C ZINC000309064128 711661062 /nfs/dbraw/zinc/66/10/62/711661062.db2.gz YDJXUJCHSUDNEQ-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC1(C)C ZINC000309064129 631829806 /nfs/dbraw/zinc/82/98/06/631829806.db2.gz YDJXUJCHSUDNEQ-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)s1 ZINC000309064653 529722020 /nfs/dbraw/zinc/72/20/20/529722020.db2.gz YMOOIOBRSRNAIW-JBLDHEPKSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)s1 ZINC000309064654 529722203 /nfs/dbraw/zinc/72/22/03/529722203.db2.gz YMOOIOBRSRNAIW-JFGNBEQYSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)s1 ZINC000309064655 529722380 /nfs/dbraw/zinc/72/23/80/529722380.db2.gz YMOOIOBRSRNAIW-NHCYSSNCSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)s1 ZINC000309064656 529722564 /nfs/dbraw/zinc/72/25/64/529722564.db2.gz YMOOIOBRSRNAIW-SCVCMEIPSA-N 1 0 223.385 3.760 20 0 BHADRO CCCCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309065351 631831127 /nfs/dbraw/zinc/83/11/27/631831127.db2.gz YYSGZGWTXIAAAZ-KBPBESRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309065352 631831615 /nfs/dbraw/zinc/83/16/15/631831615.db2.gz YYSGZGWTXIAAAZ-KGLIPLIRSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309065353 631830214 /nfs/dbraw/zinc/83/02/14/631830214.db2.gz YYSGZGWTXIAAAZ-UONOGXRCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309065354 631830747 /nfs/dbraw/zinc/83/07/47/631830747.db2.gz YYSGZGWTXIAAAZ-ZIAGYGMSSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000309068437 491082092 /nfs/dbraw/zinc/08/20/92/491082092.db2.gz BJHFJLYBVXRGNJ-KBPBESRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000309068438 537847227 /nfs/dbraw/zinc/84/72/27/537847227.db2.gz BJHFJLYBVXRGNJ-KGLIPLIRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCC1=CCCC1 ZINC000309068439 491143980 /nfs/dbraw/zinc/14/39/80/491143980.db2.gz BJHFJLYBVXRGNJ-UONOGXRCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCC1=CCCC1 ZINC000309068440 491143991 /nfs/dbraw/zinc/14/39/91/491143991.db2.gz BJHFJLYBVXRGNJ-ZIAGYGMSSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)C1CCCCCC1 ZINC000309068836 229318347 /nfs/dbraw/zinc/31/83/47/229318347.db2.gz BQSRIHRDLAAQMY-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)C1CCCCCC1 ZINC000309068853 533437880 /nfs/dbraw/zinc/43/78/80/533437880.db2.gz BQSRIHRDLAAQMY-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309068980 491143981 /nfs/dbraw/zinc/14/39/81/491143981.db2.gz BUQYQVQAPFQVSF-GHMZBOCLSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309068981 491143974 /nfs/dbraw/zinc/14/39/74/491143974.db2.gz BUQYQVQAPFQVSF-MNOVXSKESA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309068982 491143994 /nfs/dbraw/zinc/14/39/94/491143994.db2.gz BUQYQVQAPFQVSF-QWRGUYRKSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309068983 491143992 /nfs/dbraw/zinc/14/39/92/491143992.db2.gz BUQYQVQAPFQVSF-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)c1ccc(C)cc1 ZINC000309069300 631833267 /nfs/dbraw/zinc/83/32/67/631833267.db2.gz AUZCZEJDHVDERF-VVOKDJNJSA-N 1 0 223.747 3.788 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)C1CC1 ZINC000309069377 533497144 /nfs/dbraw/zinc/49/71/44/533497144.db2.gz BVWDYXWRASJGJA-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000309069378 229316872 /nfs/dbraw/zinc/31/68/72/229316872.db2.gz BVWDYXWRASJGJA-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000309069601 529337894 /nfs/dbraw/zinc/33/78/94/529337894.db2.gz AWTDAQDYUCLOPI-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000309069602 529344163 /nfs/dbraw/zinc/34/41/63/529344163.db2.gz AWTDAQDYUCLOPI-OUCADQQQSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000309069603 529338243 /nfs/dbraw/zinc/33/82/43/529338243.db2.gz AWTDAQDYUCLOPI-SCRDCRAPSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000309069604 529344127 /nfs/dbraw/zinc/34/41/27/529344127.db2.gz AWTDAQDYUCLOPI-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000309069850 180565887 /nfs/dbraw/zinc/56/58/87/180565887.db2.gz BLKVSYXLCQLIDC-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000309069851 385394285 /nfs/dbraw/zinc/39/42/85/385394285.db2.gz BLKVSYXLCQLIDC-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000309069853 180565628 /nfs/dbraw/zinc/56/56/28/180565628.db2.gz BLKVSYXLCQLIDC-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO CCC1([NH2+]Cc2ccc(SC)s2)CCC1 ZINC000309069922 527801593 /nfs/dbraw/zinc/80/15/93/527801593.db2.gz AZCCRRQMJIIWLI-UHFFFAOYSA-N 1 0 241.425 3.892 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000309070027 385401968 /nfs/dbraw/zinc/40/19/68/385401968.db2.gz BLKVSYXLCQLIDC-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2C=CCCC2)s1 ZINC000309070952 532960882 /nfs/dbraw/zinc/96/08/82/532960882.db2.gz CWXHQHBOTLWFOG-JTQLQIEISA-N 1 0 239.409 3.668 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2C=CCCC2)s1 ZINC000309070953 532958871 /nfs/dbraw/zinc/95/88/71/532958871.db2.gz CWXHQHBOTLWFOG-SNVBAGLBSA-N 1 0 239.409 3.668 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309071252 528226192 /nfs/dbraw/zinc/22/61/92/528226192.db2.gz DHWWQOLYQZZUBP-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000309071253 528226343 /nfs/dbraw/zinc/22/63/43/528226343.db2.gz DHWWQOLYQZZUBP-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000309071281 533706713 /nfs/dbraw/zinc/70/67/13/533706713.db2.gz DIQUTTQMQRIHNO-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000309071282 533782677 /nfs/dbraw/zinc/78/26/77/533782677.db2.gz DIQUTTQMQRIHNO-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000309071283 533782404 /nfs/dbraw/zinc/78/24/04/533782404.db2.gz DIQUTTQMQRIHNO-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000309071284 533706229 /nfs/dbraw/zinc/70/62/29/533706229.db2.gz DIQUTTQMQRIHNO-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)([NH2+][C@@H]1C=CCCC1)c1cccs1 ZINC000309072008 527298903 /nfs/dbraw/zinc/29/89/03/527298903.db2.gz FFVIDAHITKKRIF-LLVKDONJSA-N 1 0 221.369 3.682 20 0 BHADRO CC(C)([NH2+][C@H]1C=CCCC1)c1cccs1 ZINC000309072009 527299465 /nfs/dbraw/zinc/29/94/65/527299465.db2.gz FFVIDAHITKKRIF-NSHDSACASA-N 1 0 221.369 3.682 20 0 BHADRO Cc1occc1C[NH2+]Cc1cc(Cl)cs1 ZINC000309072655 633848280 /nfs/dbraw/zinc/84/82/80/633848280.db2.gz GHVGGQMGUKNQOJ-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CS1 ZINC000309072712 528765813 /nfs/dbraw/zinc/76/58/13/528765813.db2.gz GKUAYZQCNCKQJA-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CS1 ZINC000309072713 527883557 /nfs/dbraw/zinc/88/35/57/527883557.db2.gz GKUAYZQCNCKQJA-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CS1 ZINC000309072714 528785477 /nfs/dbraw/zinc/78/54/77/528785477.db2.gz GKUAYZQCNCKQJA-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CS1 ZINC000309072715 527872597 /nfs/dbraw/zinc/87/25/97/527872597.db2.gz GKUAYZQCNCKQJA-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CCF)c1ccccc1Cl ZINC000309072888 259369229 /nfs/dbraw/zinc/36/92/29/259369229.db2.gz GSGFOJCDWVNWTQ-GFCCVEGCSA-N 1 0 229.726 3.596 20 0 BHADRO CC(C)[C@H]([NH2+]CCF)c1ccccc1Cl ZINC000309072889 529121048 /nfs/dbraw/zinc/12/10/48/529121048.db2.gz GSGFOJCDWVNWTQ-LBPRGKRZSA-N 1 0 229.726 3.596 20 0 BHADRO CS[C@H](C[NH2+]C1CCCCC1)C(C)(C)C ZINC000309072942 229319902 /nfs/dbraw/zinc/31/99/02/229319902.db2.gz GUUBKQOWZIMBMF-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H](C[NH2+]C1CCCCC1)C(C)(C)C ZINC000309072943 533927400 /nfs/dbraw/zinc/92/74/00/533927400.db2.gz GUUBKQOWZIMBMF-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000309072990 528949555 /nfs/dbraw/zinc/94/95/55/528949555.db2.gz GXNHXZUEVATIGY-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000309072991 528397640 /nfs/dbraw/zinc/39/76/40/528397640.db2.gz GXNHXZUEVATIGY-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1ccoc1)C(C)C ZINC000309073124 491144099 /nfs/dbraw/zinc/14/40/99/491144099.db2.gz HDHXKSUWERYFNG-LLVKDONJSA-N 1 0 209.333 3.611 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1ccoc1)C(C)C ZINC000309073125 491144072 /nfs/dbraw/zinc/14/40/72/491144072.db2.gz HDHXKSUWERYFNG-NSHDSACASA-N 1 0 209.333 3.611 20 0 BHADRO CC(C)=CCC[NH2+]C1CCC2(CC2)CC1 ZINC000309073514 385404269 /nfs/dbraw/zinc/40/42/69/385404269.db2.gz HQHRZZFZGLWALJ-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000309073695 527408376 /nfs/dbraw/zinc/40/83/76/527408376.db2.gz HVJUITHZFMUIDB-KBPBESRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000309073696 527408388 /nfs/dbraw/zinc/40/83/88/527408388.db2.gz HVJUITHZFMUIDB-KGLIPLIRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000309073697 527408632 /nfs/dbraw/zinc/40/86/32/527408632.db2.gz HVJUITHZFMUIDB-UONOGXRCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000309073698 527408488 /nfs/dbraw/zinc/40/84/88/527408488.db2.gz HVJUITHZFMUIDB-ZIAGYGMSSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309074237 527704918 /nfs/dbraw/zinc/70/49/18/527704918.db2.gz INJQABHRFQYLFX-BFHYXJOUSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309074238 527704850 /nfs/dbraw/zinc/70/48/50/527704850.db2.gz INJQABHRFQYLFX-MCIONIFRSA-N 1 0 209.377 3.591 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(C(C)C)CC2)CC1 ZINC000309074335 349854168 /nfs/dbraw/zinc/85/41/68/349854168.db2.gz IRXGXFADRYMHQA-CYBMUJFWSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(C(C)C)CC2)CC1 ZINC000309074336 349854376 /nfs/dbraw/zinc/85/43/76/349854376.db2.gz IRXGXFADRYMHQA-ZDUSSCGKSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000309075610 527706404 /nfs/dbraw/zinc/70/64/04/527706404.db2.gz JZDZRCGDAZEFMB-AVGNSLFASA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309075611 527706401 /nfs/dbraw/zinc/70/64/01/527706401.db2.gz JZDZRCGDAZEFMB-RWMBFGLXSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309075612 527706398 /nfs/dbraw/zinc/70/63/98/527706398.db2.gz JZDZRCGDAZEFMB-XQQFMLRXSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309075613 527706371 /nfs/dbraw/zinc/70/63/71/527706371.db2.gz JZDZRCGDAZEFMB-YNEHKIRRSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)=CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309075644 527444760 /nfs/dbraw/zinc/44/47/60/527444760.db2.gz KBJRQUGRTNBXLM-JTQLQIEISA-N 1 0 223.282 3.519 20 0 BHADRO CC(C)=CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309075645 527445408 /nfs/dbraw/zinc/44/54/08/527445408.db2.gz KBJRQUGRTNBXLM-SNVBAGLBSA-N 1 0 223.282 3.519 20 0 BHADRO CSc1ccc(C[NH2+]C2(C3CC3)CC2)s1 ZINC000309075744 349855080 /nfs/dbraw/zinc/85/50/80/349855080.db2.gz KGJNXTVAZSCZPA-UHFFFAOYSA-N 1 0 239.409 3.502 20 0 BHADRO CC(C)CCC[NH2+]CCCc1cccs1 ZINC000309076186 323225468 /nfs/dbraw/zinc/22/54/68/323225468.db2.gz KOTQGWPBPIJRAK-UHFFFAOYSA-N 1 0 225.401 3.707 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000309076432 526673456 /nfs/dbraw/zinc/67/34/56/526673456.db2.gz KYSCRARRIBKSSX-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CCCCC1 ZINC000309076433 526673765 /nfs/dbraw/zinc/67/37/65/526673765.db2.gz KYSCRARRIBKSSX-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000309076434 526733353 /nfs/dbraw/zinc/73/33/53/526733353.db2.gz KYSCRARRIBKSSX-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCCCC1 ZINC000309076435 526733537 /nfs/dbraw/zinc/73/35/37/526733537.db2.gz KYSCRARRIBKSSX-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1CC12CCCC2 ZINC000309076445 528253677 /nfs/dbraw/zinc/25/36/77/528253677.db2.gz KZGRRYQGSNZPGT-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H]1CC12CCCC2 ZINC000309076446 528253478 /nfs/dbraw/zinc/25/34/78/528253478.db2.gz KZGRRYQGSNZPGT-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CC12CCCC2 ZINC000309076447 528461674 /nfs/dbraw/zinc/46/16/74/528461674.db2.gz KZGRRYQGSNZPGT-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CC12CCCC2 ZINC000309076448 528461512 /nfs/dbraw/zinc/46/15/12/528461512.db2.gz KZGRRYQGSNZPGT-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(CC)[NH2+]C/C=C\c1ccccc1 ZINC000309076546 528615139 /nfs/dbraw/zinc/61/51/39/528615139.db2.gz GTQDJCCNGNCZRC-XFXZXTDPSA-N 1 0 217.356 3.868 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C2CCC2)s1 ZINC000309076738 491144112 /nfs/dbraw/zinc/14/41/12/491144112.db2.gz LIASSVOFBVKHFE-SECBINFHSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)C2CCC2)s1 ZINC000309076739 491144129 /nfs/dbraw/zinc/14/41/29/491144129.db2.gz LIASSVOFBVKHFE-VIFPVBQESA-N 1 0 241.425 3.748 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000309077682 527408176 /nfs/dbraw/zinc/40/81/76/527408176.db2.gz MQMFWHHJFMOAKJ-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC12CCCC2 ZINC000309077683 527408705 /nfs/dbraw/zinc/40/87/05/527408705.db2.gz MQMFWHHJFMOAKJ-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000309077863 166810974 /nfs/dbraw/zinc/81/09/74/166810974.db2.gz MTCCMYFVDONCNF-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000309078755 527729958 /nfs/dbraw/zinc/72/99/58/527729958.db2.gz NIDVXHBGOYLXBU-UHFFFAOYSA-N 1 0 209.377 3.878 20 0 BHADRO C1CC12CCC([NH2+]C1CCCCC1)CC2 ZINC000309078821 385398621 /nfs/dbraw/zinc/39/86/21/385398621.db2.gz NKTFBDCFJAJURD-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO CS[C@H](C[NH2+]Cc1ccsc1)C(C)(C)C ZINC000309078830 385398361 /nfs/dbraw/zinc/39/83/61/385398361.db2.gz NKXKZLDLSGDSQH-LLVKDONJSA-N 1 0 243.441 3.615 20 0 BHADRO CS[C@@H](C[NH2+]Cc1ccsc1)C(C)(C)C ZINC000309078831 385398952 /nfs/dbraw/zinc/39/89/52/385398952.db2.gz NKXKZLDLSGDSQH-NSHDSACASA-N 1 0 243.441 3.615 20 0 BHADRO CC(C)[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000309078960 527729874 /nfs/dbraw/zinc/72/98/74/527729874.db2.gz NOYLOQSQOLSSIU-UHFFFAOYSA-N 1 0 244.165 3.981 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309079503 528421314 /nfs/dbraw/zinc/42/13/14/528421314.db2.gz NWFRCGXQYDBMOB-NXEZZACHSA-N 1 0 225.298 3.598 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309079506 528972435 /nfs/dbraw/zinc/97/24/35/528972435.db2.gz NWFRCGXQYDBMOB-UWVGGRQHSA-N 1 0 225.298 3.598 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C(C)C ZINC000309079509 528429686 /nfs/dbraw/zinc/42/96/86/528429686.db2.gz NWFRCGXQYDBMOB-VHSXEESVSA-N 1 0 225.298 3.598 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309079512 528420063 /nfs/dbraw/zinc/42/00/63/528420063.db2.gz NWFRCGXQYDBMOB-ZJUUUORDSA-N 1 0 225.298 3.598 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCCF ZINC000309079690 528255562 /nfs/dbraw/zinc/25/55/62/528255562.db2.gz NXWUXTIBWLIWAS-CHWSQXEVSA-N 1 0 217.372 3.787 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCCF ZINC000309079693 528254813 /nfs/dbraw/zinc/25/48/13/528254813.db2.gz NXWUXTIBWLIWAS-OLZOCXBDSA-N 1 0 217.372 3.787 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCCF ZINC000309079696 528463410 /nfs/dbraw/zinc/46/34/10/528463410.db2.gz NXWUXTIBWLIWAS-QWHCGFSZSA-N 1 0 217.372 3.787 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCCF ZINC000309079700 528462908 /nfs/dbraw/zinc/46/29/08/528462908.db2.gz NXWUXTIBWLIWAS-STQMWFEESA-N 1 0 217.372 3.787 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)CC(C)C)C(C)(C)C ZINC000309080238 533928618 /nfs/dbraw/zinc/92/86/18/533928618.db2.gz OLWFECXJUNSHIQ-NEPJUHHUSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)CC(C)C)C(C)(C)C ZINC000309080239 229322673 /nfs/dbraw/zinc/32/26/73/229322673.db2.gz OLWFECXJUNSHIQ-NWDGAFQWSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)CC(C)C)C(C)(C)C ZINC000309080240 533928966 /nfs/dbraw/zinc/92/89/66/533928966.db2.gz OLWFECXJUNSHIQ-RYUDHWBXSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)CC(C)C)C(C)(C)C ZINC000309080241 229322351 /nfs/dbraw/zinc/32/23/51/229322351.db2.gz OLWFECXJUNSHIQ-VXGBXAGGSA-N 1 0 231.449 3.788 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000309080448 631876332 /nfs/dbraw/zinc/87/63/32/631876332.db2.gz OWLYHJXBOWEOLK-WPKZPIIRSA-N 1 0 241.787 3.812 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCCCC1 ZINC000309080622 491144027 /nfs/dbraw/zinc/14/40/27/491144027.db2.gz PAPCBQGKVHQSTA-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCCCC1 ZINC000309080623 491088215 /nfs/dbraw/zinc/08/82/15/491088215.db2.gz PAPCBQGKVHQSTA-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCCCC1 ZINC000309080624 491144016 /nfs/dbraw/zinc/14/40/16/491144016.db2.gz PAPCBQGKVHQSTA-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCCCC1 ZINC000309080625 491144034 /nfs/dbraw/zinc/14/40/34/491144034.db2.gz PAPCBQGKVHQSTA-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)C1CCC1)C(C)(C)C ZINC000309080676 229321704 /nfs/dbraw/zinc/32/17/04/229321704.db2.gz PEFPNRTVZTUNRM-CMPLNLGQSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)C1CCC1)C(C)(C)C ZINC000309080677 533928702 /nfs/dbraw/zinc/92/87/02/533928702.db2.gz PEFPNRTVZTUNRM-JQWIXIFHSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)C1CCC1)C(C)(C)C ZINC000309080678 533928278 /nfs/dbraw/zinc/92/82/78/533928278.db2.gz PEFPNRTVZTUNRM-PWSUYJOCSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)C1CCC1)C(C)(C)C ZINC000309080679 229322432 /nfs/dbraw/zinc/32/24/32/229322432.db2.gz PEFPNRTVZTUNRM-ZYHUDNBSSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC1(C)C)C(C)(C)C ZINC000309081542 229330672 /nfs/dbraw/zinc/33/06/72/229330672.db2.gz QGCAXPKVXCITQY-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CCC1(C)C)C(C)(C)C ZINC000309081543 533927755 /nfs/dbraw/zinc/92/77/55/533927755.db2.gz QGCAXPKVXCITQY-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CCC1(C)C)C(C)(C)C ZINC000309081548 533929101 /nfs/dbraw/zinc/92/91/01/533929101.db2.gz QGCAXPKVXCITQY-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC1(C)C)C(C)(C)C ZINC000309081549 229330633 /nfs/dbraw/zinc/33/06/33/229330633.db2.gz QGCAXPKVXCITQY-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309081617 491144416 /nfs/dbraw/zinc/14/44/16/491144416.db2.gz QJQGSFLRQVOHLL-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309081618 491144392 /nfs/dbraw/zinc/14/43/92/491144392.db2.gz QJQGSFLRQVOHLL-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309081619 491144417 /nfs/dbraw/zinc/14/44/17/491144417.db2.gz QJQGSFLRQVOHLL-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309081620 491144381 /nfs/dbraw/zinc/14/43/81/491144381.db2.gz QJQGSFLRQVOHLL-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CSc1ccc(C[NH2+]CCC2(C)CC2)s1 ZINC000309081800 385401028 /nfs/dbraw/zinc/40/10/28/385401028.db2.gz QSKKDTFHFKAJJO-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO CSc1ccc(C[NH2+]CCC=C(C)C)s1 ZINC000309081887 259369075 /nfs/dbraw/zinc/36/90/75/259369075.db2.gz QXHGSBMPLGLYPK-UHFFFAOYSA-N 1 0 241.425 3.916 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309081893 491144421 /nfs/dbraw/zinc/14/44/21/491144421.db2.gz QXRDBAUWUSYMPL-RFGFWPKPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309081894 491144423 /nfs/dbraw/zinc/14/44/23/491144423.db2.gz QXRDBAUWUSYMPL-RQJABVFESA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309081895 491144413 /nfs/dbraw/zinc/14/44/13/491144413.db2.gz QXRDBAUWUSYMPL-XJFOESAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309081896 491144418 /nfs/dbraw/zinc/14/44/18/491144418.db2.gz QXRDBAUWUSYMPL-ZOBORPQBSA-N 1 0 209.377 3.589 20 0 BHADRO CSCCC[NH2+]CCC1CCCCCC1 ZINC000309082577 533571193 /nfs/dbraw/zinc/57/11/93/533571193.db2.gz RZPPFYLDDGXURO-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CC(C)CCC[NH2+]CC(C)(C)C(F)(F)F ZINC000309083599 349964526 /nfs/dbraw/zinc/96/45/26/349964526.db2.gz UBZMKKFEJKADED-UHFFFAOYSA-N 1 0 225.298 3.601 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCSC1 ZINC000309083824 528465216 /nfs/dbraw/zinc/46/52/16/528465216.db2.gz UMXJBIIQMQZNBJ-AVGNSLFASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000309083825 528464885 /nfs/dbraw/zinc/46/48/85/528464885.db2.gz UMXJBIIQMQZNBJ-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000309083826 528463241 /nfs/dbraw/zinc/46/32/41/528463241.db2.gz UMXJBIIQMQZNBJ-XQQFMLRXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000309083827 528463697 /nfs/dbraw/zinc/46/36/97/528463697.db2.gz UMXJBIIQMQZNBJ-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)(C)CC[NH2+]CC1(C2CC2)CCC1 ZINC000309083861 385400928 /nfs/dbraw/zinc/40/09/28/385400928.db2.gz UOKGONOVSFGYKP-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309084256 526672829 /nfs/dbraw/zinc/67/28/29/526672829.db2.gz VBDDZMUAJFVKBK-GRYCIOLGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309084257 526673170 /nfs/dbraw/zinc/67/31/70/526673170.db2.gz VBDDZMUAJFVKBK-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309084258 526673550 /nfs/dbraw/zinc/67/35/50/526673550.db2.gz VBDDZMUAJFVKBK-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309084259 526673227 /nfs/dbraw/zinc/67/32/27/526673227.db2.gz VBDDZMUAJFVKBK-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC2(C)C)s1 ZINC000309084359 532961012 /nfs/dbraw/zinc/96/10/12/532961012.db2.gz VGYLKZYVPBPYPS-JTQLQIEISA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC2(C)C)s1 ZINC000309084360 532959017 /nfs/dbraw/zinc/95/90/17/532959017.db2.gz VGYLKZYVPBPYPS-SNVBAGLBSA-N 1 0 241.425 3.748 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309084655 527705083 /nfs/dbraw/zinc/70/50/83/527705083.db2.gz VSIYTFWBOKKQDE-CHWSQXEVSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309084656 527704990 /nfs/dbraw/zinc/70/49/90/527704990.db2.gz VSIYTFWBOKKQDE-OLZOCXBDSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309084657 527704970 /nfs/dbraw/zinc/70/49/70/527704970.db2.gz VSIYTFWBOKKQDE-QWHCGFSZSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309084658 527704945 /nfs/dbraw/zinc/70/49/45/527704945.db2.gz VSIYTFWBOKKQDE-STQMWFEESA-N 1 0 229.433 3.542 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC=CCC2)s1 ZINC000309085073 532961566 /nfs/dbraw/zinc/96/15/66/532961566.db2.gz WGZKWBHRLJJLGF-JTQLQIEISA-N 1 0 239.409 3.668 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC=CCC2)s1 ZINC000309085074 532958789 /nfs/dbraw/zinc/95/87/89/532958789.db2.gz WGZKWBHRLJJLGF-SNVBAGLBSA-N 1 0 239.409 3.668 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000309085211 491144249 /nfs/dbraw/zinc/14/42/49/491144249.db2.gz WLYAEKVWTMGQNO-DOGVGXBMSA-N 1 0 221.369 3.635 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000309085212 491144234 /nfs/dbraw/zinc/14/42/34/491144234.db2.gz WLYAEKVWTMGQNO-SGUJLRQBSA-N 1 0 221.369 3.635 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000309085213 491144255 /nfs/dbraw/zinc/14/42/55/491144255.db2.gz WLYAEKVWTMGQNO-WYGGZMRJSA-N 1 0 221.369 3.635 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000309085214 491144238 /nfs/dbraw/zinc/14/42/38/491144238.db2.gz WLYAEKVWTMGQNO-ZWNMCFTASA-N 1 0 221.369 3.635 20 0 BHADRO CC(C)C1CC([NH2+]Cc2cscc2Cl)C1 ZINC000309085282 632634971 /nfs/dbraw/zinc/63/49/71/632634971.db2.gz WPFGXHZCZNZNEF-UHFFFAOYSA-N 1 0 243.803 3.926 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000309085394 229331188 /nfs/dbraw/zinc/33/11/88/229331188.db2.gz WUFBAHWDSPAVNM-GFCCVEGCSA-N 1 0 227.417 3.607 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000309085395 533511524 /nfs/dbraw/zinc/51/15/24/533511524.db2.gz WUFBAHWDSPAVNM-LBPRGKRZSA-N 1 0 227.417 3.607 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)C1(C)CC1)C(C)(C)C ZINC000309085917 385410753 /nfs/dbraw/zinc/41/07/53/385410753.db2.gz XMFFCHJGVSWZDU-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)C1(C)CC1)C(C)(C)C ZINC000309085918 385410735 /nfs/dbraw/zinc/41/07/35/385410735.db2.gz XMFFCHJGVSWZDU-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)C1(C)CC1)C(C)(C)C ZINC000309085919 385410882 /nfs/dbraw/zinc/41/08/82/385410882.db2.gz XMFFCHJGVSWZDU-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)C1(C)CC1)C(C)(C)C ZINC000309085920 385410083 /nfs/dbraw/zinc/41/00/83/385410083.db2.gz XMFFCHJGVSWZDU-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CF ZINC000309086601 527824085 /nfs/dbraw/zinc/82/40/85/527824085.db2.gz YIJSYHDFHNBEIL-AGIUHOORSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CF ZINC000309086602 527823576 /nfs/dbraw/zinc/82/35/76/527823576.db2.gz YIJSYHDFHNBEIL-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CF ZINC000309086603 527826641 /nfs/dbraw/zinc/82/66/41/527826641.db2.gz YIJSYHDFHNBEIL-FRRDWIJNSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CF ZINC000309086604 527826512 /nfs/dbraw/zinc/82/65/12/527826512.db2.gz YIJSYHDFHNBEIL-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO C1CC1C1([NH2+]C2CCCCCCC2)CC1 ZINC000309086618 631875350 /nfs/dbraw/zinc/87/53/50/631875350.db2.gz YJELLLYQBJLTFQ-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309086659 527805057 /nfs/dbraw/zinc/80/50/57/527805057.db2.gz YKXOLCLWOSRMRB-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309086660 527842569 /nfs/dbraw/zinc/84/25/69/527842569.db2.gz YKXOLCLWOSRMRB-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309086661 527805352 /nfs/dbraw/zinc/80/53/52/527805352.db2.gz YKXOLCLWOSRMRB-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309086662 527842665 /nfs/dbraw/zinc/84/26/65/527842665.db2.gz YKXOLCLWOSRMRB-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309087105 527408077 /nfs/dbraw/zinc/40/80/77/527408077.db2.gz ZAYDCNCICFLVTK-CHWSQXEVSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309087106 527408531 /nfs/dbraw/zinc/40/85/31/527408531.db2.gz ZAYDCNCICFLVTK-OLZOCXBDSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309087107 259369149 /nfs/dbraw/zinc/36/91/49/259369149.db2.gz ZAYDCNCICFLVTK-QWHCGFSZSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309087108 527408293 /nfs/dbraw/zinc/40/82/93/527408293.db2.gz ZAYDCNCICFLVTK-STQMWFEESA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309087425 527408000 /nfs/dbraw/zinc/40/80/00/527408000.db2.gz ZOEWWRKIWOSLHX-KBPBESRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309087426 527408371 /nfs/dbraw/zinc/40/83/71/527408371.db2.gz ZOEWWRKIWOSLHX-KGLIPLIRSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309087427 527408641 /nfs/dbraw/zinc/40/86/41/527408641.db2.gz ZOEWWRKIWOSLHX-UONOGXRCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309087428 527408612 /nfs/dbraw/zinc/40/86/12/527408612.db2.gz ZOEWWRKIWOSLHX-ZIAGYGMSSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)C(C[NH2+]C(C)(C)C(F)F)C(C)C ZINC000309087429 491144321 /nfs/dbraw/zinc/14/43/21/491144321.db2.gz ZOFRYHWLVVWJBD-UHFFFAOYSA-N 1 0 221.335 3.548 20 0 BHADRO C/C=C\C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000309088013 488011483 /nfs/dbraw/zinc/01/14/83/488011483.db2.gz BEFLHFSKBBINIJ-KXQLTZBTSA-N 1 0 203.329 3.612 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000309088014 488011468 /nfs/dbraw/zinc/01/14/68/488011468.db2.gz BEFLHFSKBBINIJ-SDQPKGBYSA-N 1 0 203.329 3.612 20 0 BHADRO C/C=C/C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000309088015 488011370 /nfs/dbraw/zinc/01/13/70/488011370.db2.gz BEFLHFSKBBINIJ-YVARQFDVSA-N 1 0 203.329 3.612 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000309088016 488011108 /nfs/dbraw/zinc/01/11/08/488011108.db2.gz BEFLHFSKBBINIJ-YVZNUBBCSA-N 1 0 203.329 3.612 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCF ZINC000309088160 229332703 /nfs/dbraw/zinc/33/27/03/229332703.db2.gz ADZIXYXMSZRSDW-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCF ZINC000309088161 229332308 /nfs/dbraw/zinc/33/23/08/229332308.db2.gz ADZIXYXMSZRSDW-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCF ZINC000309088162 229332616 /nfs/dbraw/zinc/33/26/16/229332616.db2.gz ADZIXYXMSZRSDW-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCF ZINC000309088163 229332677 /nfs/dbraw/zinc/33/26/77/229332677.db2.gz ADZIXYXMSZRSDW-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CCC1(C[NH2+]Cc2ccsc2C)CCC1 ZINC000309088429 168479399 /nfs/dbraw/zinc/47/93/99/168479399.db2.gz CJXFIWQKCWOLTL-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309089935 528532745 /nfs/dbraw/zinc/53/27/45/528532745.db2.gz ASXTXLWPBREFNJ-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC12CCCC2 ZINC000309089936 528535194 /nfs/dbraw/zinc/53/51/94/528535194.db2.gz ASXTXLWPBREFNJ-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCCC1 ZINC000309090441 528108669 /nfs/dbraw/zinc/10/86/69/528108669.db2.gz AYZBMDOBWLNZLQ-GXTWGEPZSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCCC1 ZINC000309090442 528109873 /nfs/dbraw/zinc/10/98/73/528109873.db2.gz AYZBMDOBWLNZLQ-JSGCOSHPSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCCC1 ZINC000309090443 528106363 /nfs/dbraw/zinc/10/63/63/528106363.db2.gz AYZBMDOBWLNZLQ-OCCSQVGLSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCCC1 ZINC000309090444 528104917 /nfs/dbraw/zinc/10/49/17/528104917.db2.gz AYZBMDOBWLNZLQ-TZMCWYRMSA-N 1 0 207.361 3.511 20 0 BHADRO CCC[N@@H+](Cc1csc(Cl)n1)CC(C)C ZINC000309090659 631875142 /nfs/dbraw/zinc/87/51/42/631875142.db2.gz DJFDOCXTWPCWTR-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO CCCC[C@@H]([NH2+]CCSCC)C1CCC1 ZINC000309090975 528855461 /nfs/dbraw/zinc/85/54/61/528855461.db2.gz CBTYHAIXMITBFK-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H]([NH2+]CCSCC)C1CCC1 ZINC000309090976 528992243 /nfs/dbraw/zinc/99/22/43/528992243.db2.gz CBTYHAIXMITBFK-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309091343 528533046 /nfs/dbraw/zinc/53/30/46/528533046.db2.gz BGMAFOQJJDGYCY-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309091344 528535249 /nfs/dbraw/zinc/53/52/49/528535249.db2.gz BGMAFOQJJDGYCY-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309091347 528532999 /nfs/dbraw/zinc/53/29/99/528532999.db2.gz BGMAFOQJJDGYCY-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309091352 528534515 /nfs/dbraw/zinc/53/45/15/528534515.db2.gz BGMAFOQJJDGYCY-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC1=CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC000309091723 398091978 /nfs/dbraw/zinc/09/19/78/398091978.db2.gz BJWNXSYXIOVLOX-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCC2CCCC2)CC1 ZINC000309091724 398091927 /nfs/dbraw/zinc/09/19/27/398091927.db2.gz BJWNXSYXIOVLOX-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CSC[C@@H]1C ZINC000309092093 529683754 /nfs/dbraw/zinc/68/37/54/529683754.db2.gz CMQUDGCRCJZLLZ-CYDGBPFRSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CSC[C@H]1C ZINC000309092104 529683994 /nfs/dbraw/zinc/68/39/94/529683994.db2.gz CMQUDGCRCJZLLZ-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CSC[C@H]1C ZINC000309092117 529683991 /nfs/dbraw/zinc/68/39/91/529683991.db2.gz CMQUDGCRCJZLLZ-RNJOBUHISA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309092125 529683749 /nfs/dbraw/zinc/68/37/49/529683749.db2.gz CMQUDGCRCJZLLZ-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CCCC[C@H]([NH2+]CC1CCC1)C1CCC1 ZINC000309093192 528991656 /nfs/dbraw/zinc/99/16/56/528991656.db2.gz CXXYFHJKCIMUDQ-AWEZNQCLSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[C@@H]([NH2+]CC1CCC1)C1CCC1 ZINC000309093193 528856180 /nfs/dbraw/zinc/85/61/80/528856180.db2.gz CXXYFHJKCIMUDQ-CQSZACIVSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000309093221 631879624 /nfs/dbraw/zinc/87/96/24/631879624.db2.gz CZAZALMHAUIONU-GHMZBOCLSA-N 1 0 219.319 3.733 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000309093222 631879260 /nfs/dbraw/zinc/87/92/60/631879260.db2.gz CZAZALMHAUIONU-MNOVXSKESA-N 1 0 219.319 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000309093223 631879719 /nfs/dbraw/zinc/87/97/19/631879719.db2.gz CZAZALMHAUIONU-QWRGUYRKSA-N 1 0 219.319 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000309093224 711661844 /nfs/dbraw/zinc/66/18/44/711661844.db2.gz CZAZALMHAUIONU-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1CCC[C@@H](C)C1 ZINC000309093465 229332337 /nfs/dbraw/zinc/33/23/37/229332337.db2.gz BYVSZSUHXUSQNB-AGIUHOORSA-N 1 0 215.356 3.541 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000309093598 528896488 /nfs/dbraw/zinc/89/64/88/528896488.db2.gz DBDCUMFZYINYSR-BFHYXJOUSA-N 1 0 209.377 3.900 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000309093599 528897038 /nfs/dbraw/zinc/89/70/38/528897038.db2.gz DBDCUMFZYINYSR-IHRRRGAJSA-N 1 0 209.377 3.900 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000309093600 528896085 /nfs/dbraw/zinc/89/60/85/528896085.db2.gz DBDCUMFZYINYSR-MELADBBJSA-N 1 0 209.377 3.900 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000309093601 528896604 /nfs/dbraw/zinc/89/66/04/528896604.db2.gz DBDCUMFZYINYSR-MJBXVCDLSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1CCC[C@@H](C)C1 ZINC000309093752 229332388 /nfs/dbraw/zinc/33/23/88/229332388.db2.gz BYVSZSUHXUSQNB-FRRDWIJNSA-N 1 0 215.356 3.541 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000309093856 528889636 /nfs/dbraw/zinc/88/96/36/528889636.db2.gz CBVMKGUBRWKIPW-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC=CCC1 ZINC000309093885 491144648 /nfs/dbraw/zinc/14/46/48/491144648.db2.gz DDDZRAFATRMCIP-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CC=CCC1 ZINC000309093886 491144704 /nfs/dbraw/zinc/14/47/04/491144704.db2.gz DDDZRAFATRMCIP-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000309094093 385405527 /nfs/dbraw/zinc/40/55/27/385405527.db2.gz GBOLHVBPWHKJLG-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000309094510 385405693 /nfs/dbraw/zinc/40/56/93/385405693.db2.gz GBOLHVBPWHKJLG-LBPRGKRZSA-N 1 0 221.369 3.502 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000309095757 323316285 /nfs/dbraw/zinc/31/62/85/323316285.db2.gz CUDSNMBIRROIQC-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000309096375 259369087 /nfs/dbraw/zinc/36/90/87/259369087.db2.gz CZOGMWFDGIAULE-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000309096376 259342227 /nfs/dbraw/zinc/34/22/27/259342227.db2.gz CZOGMWFDGIAULE-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309096445 529375310 /nfs/dbraw/zinc/37/53/10/529375310.db2.gz FBHYFKPFGDPTJL-GHMZBOCLSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309096447 529374990 /nfs/dbraw/zinc/37/49/90/529374990.db2.gz FBHYFKPFGDPTJL-MNOVXSKESA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309096449 529182010 /nfs/dbraw/zinc/18/20/10/529182010.db2.gz FBHYFKPFGDPTJL-QWRGUYRKSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309096452 529182463 /nfs/dbraw/zinc/18/24/63/529182463.db2.gz FBHYFKPFGDPTJL-WDEREUQCSA-N 1 0 209.308 3.583 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)Cc1cccs1 ZINC000309097223 491144731 /nfs/dbraw/zinc/14/47/31/491144731.db2.gz DHGOTTHTOMZKFW-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000309097224 491144769 /nfs/dbraw/zinc/14/47/69/491144769.db2.gz DHGOTTHTOMZKFW-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000309098537 528897580 /nfs/dbraw/zinc/89/75/80/528897580.db2.gz FVPVWULXOFWFOM-CYDGBPFRSA-N 1 0 229.433 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000309098538 528896276 /nfs/dbraw/zinc/89/62/76/528896276.db2.gz FVPVWULXOFWFOM-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000309098539 528897741 /nfs/dbraw/zinc/89/77/41/528897741.db2.gz FVPVWULXOFWFOM-RNJOBUHISA-N 1 0 229.433 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309098540 528896029 /nfs/dbraw/zinc/89/60/29/528896029.db2.gz FVPVWULXOFWFOM-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000309098546 528105179 /nfs/dbraw/zinc/10/51/79/528105179.db2.gz FVVDLQFGAUWDKG-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000309098547 528922965 /nfs/dbraw/zinc/92/29/65/528922965.db2.gz FVVDLQFGAUWDKG-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000309098603 631881201 /nfs/dbraw/zinc/88/12/01/631881201.db2.gz DTPHBHFANBUZPN-GDGBQDQQSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(Cl)s1 ZINC000309098604 631881595 /nfs/dbraw/zinc/88/15/95/631881595.db2.gz DTPHBHFANBUZPN-IUCAKERBSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(Cl)s1 ZINC000309098605 631882327 /nfs/dbraw/zinc/88/23/27/631882327.db2.gz DTPHBHFANBUZPN-RKDXNWHRSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCCCF ZINC000309098985 533830794 /nfs/dbraw/zinc/83/07/94/533830794.db2.gz DYDZFDVZZCSTMC-ITGUQSILSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCCCF ZINC000309099116 229333825 /nfs/dbraw/zinc/33/38/25/229333825.db2.gz DYDZFDVZZCSTMC-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCCCF ZINC000309099117 533730362 /nfs/dbraw/zinc/73/03/62/533730362.db2.gz DYDZFDVZZCSTMC-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309099219 491144792 /nfs/dbraw/zinc/14/47/92/491144792.db2.gz GBMXFWADDZBEAD-CHWSQXEVSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309099222 491144793 /nfs/dbraw/zinc/14/47/93/491144793.db2.gz GBMXFWADDZBEAD-OLZOCXBDSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309099224 491144788 /nfs/dbraw/zinc/14/47/88/491144788.db2.gz GBMXFWADDZBEAD-QWHCGFSZSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309099227 537851199 /nfs/dbraw/zinc/85/11/99/537851199.db2.gz GBMXFWADDZBEAD-STQMWFEESA-N 1 0 229.433 3.542 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C)CCC1 ZINC000309099415 323317014 /nfs/dbraw/zinc/31/70/14/323317014.db2.gz FBSMIUJWHNZKMP-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C)CCC1 ZINC000309099419 323317086 /nfs/dbraw/zinc/31/70/86/323317086.db2.gz FBSMIUJWHNZKMP-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C)CCC1 ZINC000309099421 323316941 /nfs/dbraw/zinc/31/69/41/323316941.db2.gz FBSMIUJWHNZKMP-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C)CCC1 ZINC000309099423 323316781 /nfs/dbraw/zinc/31/67/81/323316781.db2.gz FBSMIUJWHNZKMP-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCCCF)C1CC1 ZINC000309099484 527808118 /nfs/dbraw/zinc/80/81/18/527808118.db2.gz FCQSVMBBPZTILV-CYBMUJFWSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCCCF)C1CC1 ZINC000309099485 527847669 /nfs/dbraw/zinc/84/76/69/527847669.db2.gz FCQSVMBBPZTILV-ZDUSSCGKSA-N 1 0 215.356 3.541 20 0 BHADRO CCCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309099659 528553387 /nfs/dbraw/zinc/55/33/87/528553387.db2.gz GEPHCKTXBITNJK-LLVKDONJSA-N 1 0 225.763 3.833 20 0 BHADRO CCCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309099662 528553108 /nfs/dbraw/zinc/55/31/08/528553108.db2.gz GEPHCKTXBITNJK-NSHDSACASA-N 1 0 225.763 3.833 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccsc1C ZINC000309099802 179804330 /nfs/dbraw/zinc/80/43/30/179804330.db2.gz IKUJZZMPZJFLFJ-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccsc1 ZINC000309099926 385409673 /nfs/dbraw/zinc/40/96/73/385409673.db2.gz FGNXCMZCRKCYPP-JTQLQIEISA-N 1 0 227.348 3.681 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccsc1 ZINC000309099928 175872045 /nfs/dbraw/zinc/87/20/45/175872045.db2.gz FGNXCMZCRKCYPP-SNVBAGLBSA-N 1 0 227.348 3.681 20 0 BHADRO CCCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309100281 528216633 /nfs/dbraw/zinc/21/66/33/528216633.db2.gz GLFZLUMWGFGNQM-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309100282 528214995 /nfs/dbraw/zinc/21/49/95/528214995.db2.gz GLFZLUMWGFGNQM-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309100283 528216404 /nfs/dbraw/zinc/21/64/04/528216404.db2.gz GLFZLUMWGFGNQM-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309100284 528217133 /nfs/dbraw/zinc/21/71/33/528217133.db2.gz GLFZLUMWGFGNQM-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000309100391 491144826 /nfs/dbraw/zinc/14/48/26/491144826.db2.gz FLKDMYGTPBTTSC-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)CCC(C)C ZINC000309100447 229333618 /nfs/dbraw/zinc/33/36/18/229333618.db2.gz ISPZPFWKZOBTFE-LLVKDONJSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)CCC(C)C ZINC000309100448 229333629 /nfs/dbraw/zinc/33/36/29/229333629.db2.gz ISPZPFWKZOBTFE-NSHDSACASA-N 1 0 225.401 3.971 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000309101768 397850883 /nfs/dbraw/zinc/85/08/83/397850883.db2.gz GCWQJGQPQLOAMZ-GFCCVEGCSA-N 1 0 203.329 3.527 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000309101769 397850924 /nfs/dbraw/zinc/85/09/24/397850924.db2.gz GCWQJGQPQLOAMZ-LBPRGKRZSA-N 1 0 203.329 3.527 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000309102919 385423207 /nfs/dbraw/zinc/42/32/07/385423207.db2.gz KFGQXWYWZMARPK-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000309102920 180565882 /nfs/dbraw/zinc/56/58/82/180565882.db2.gz KFGQXWYWZMARPK-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000309102921 385423383 /nfs/dbraw/zinc/42/33/83/385423383.db2.gz KFGQXWYWZMARPK-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000309102922 385095767 /nfs/dbraw/zinc/09/57/67/385095767.db2.gz KFGQXWYWZMARPK-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H]([NH2+]CCF)c1csc2ccccc12 ZINC000309103240 631884029 /nfs/dbraw/zinc/88/40/29/631884029.db2.gz GVGGHCJMEIFZOQ-VIFPVBQESA-N 1 0 223.316 3.521 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)s1 ZINC000309104296 178839568 /nfs/dbraw/zinc/83/95/68/178839568.db2.gz HDVQTCULJYSWER-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(C)CC2)s1 ZINC000309104297 397849245 /nfs/dbraw/zinc/84/92/45/397849245.db2.gz HDVQTCULJYSWER-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO Cc1sccc1C[NH2+]C1(C)CCCCC1 ZINC000309106403 385425801 /nfs/dbraw/zinc/42/58/01/385425801.db2.gz MJJJOCUNFGRLAG-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CCCC1(C[NH2+]Cc2ccsc2C)CC1 ZINC000309109500 385426119 /nfs/dbraw/zinc/42/61/19/385426119.db2.gz NPTDPLKQYNFAJI-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]CCCCF)C1 ZINC000309109618 350013380 /nfs/dbraw/zinc/01/33/80/350013380.db2.gz JGAQXQFSNRTYNJ-GFCCVEGCSA-N 1 0 215.356 3.542 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]CCCCF)C1 ZINC000309109619 350013185 /nfs/dbraw/zinc/01/31/85/350013185.db2.gz JGAQXQFSNRTYNJ-LBPRGKRZSA-N 1 0 215.356 3.542 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)[C@@H]1CC1(C)C ZINC000309110946 385426190 /nfs/dbraw/zinc/42/61/90/385426190.db2.gz JPYJYZGHKLDYIV-AAEUAGOBSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)[C@H]1CC1(C)C ZINC000309110947 385426228 /nfs/dbraw/zinc/42/62/28/385426228.db2.gz JPYJYZGHKLDYIV-DGCLKSJQSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)[C@H]1CC1(C)C ZINC000309110948 385426029 /nfs/dbraw/zinc/42/60/29/385426029.db2.gz JPYJYZGHKLDYIV-WCQYABFASA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)[C@@H]1CC1(C)C ZINC000309110949 175872567 /nfs/dbraw/zinc/87/25/67/175872567.db2.gz JPYJYZGHKLDYIV-YPMHNXCESA-N 1 0 207.361 3.511 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000309111960 385427960 /nfs/dbraw/zinc/42/79/60/385427960.db2.gz ORLRDGBGHVNFSD-GWCFXTLKSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000309111962 385427977 /nfs/dbraw/zinc/42/79/77/385427977.db2.gz ORLRDGBGHVNFSD-GXFFZTMASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309111964 180566972 /nfs/dbraw/zinc/56/69/72/180566972.db2.gz ORLRDGBGHVNFSD-MFKMUULPSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000309111966 385427799 /nfs/dbraw/zinc/42/77/99/385427799.db2.gz ORLRDGBGHVNFSD-ZWNOBZJWSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCCC1 ZINC000309115772 632642123 /nfs/dbraw/zinc/64/21/23/632642123.db2.gz LKOUXASCEFUTGN-CHWSQXEVSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCCC1 ZINC000309115775 631888210 /nfs/dbraw/zinc/88/82/10/631888210.db2.gz LKOUXASCEFUTGN-OLZOCXBDSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCCC1 ZINC000309115776 631887790 /nfs/dbraw/zinc/88/77/90/631887790.db2.gz LKOUXASCEFUTGN-QWHCGFSZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CCCC1 ZINC000309115787 631886971 /nfs/dbraw/zinc/88/69/71/631886971.db2.gz LKOUXASCEFUTGN-STQMWFEESA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)C[NH2+]Cc1ccccc1C(C)C ZINC000309115867 632642274 /nfs/dbraw/zinc/64/22/74/632642274.db2.gz QRLWROWPGKOUFN-UHFFFAOYSA-N 1 0 205.345 3.556 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2ccsc2Cl)C1 ZINC000309116147 350035111 /nfs/dbraw/zinc/03/51/11/350035111.db2.gz LOCPGUSGVMGCOY-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000309117800 350036013 /nfs/dbraw/zinc/03/60/13/350036013.db2.gz MIFMNRVCWQXTHT-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000309117802 350035991 /nfs/dbraw/zinc/03/59/91/350035991.db2.gz MIFMNRVCWQXTHT-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000309117804 350035897 /nfs/dbraw/zinc/03/58/97/350035897.db2.gz MIFMNRVCWQXTHT-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000309117806 350035969 /nfs/dbraw/zinc/03/59/69/350035969.db2.gz MIFMNRVCWQXTHT-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccco1 ZINC000309118794 491052475 /nfs/dbraw/zinc/05/24/75/491052475.db2.gz MRUIEFFBLZNLNM-LLVKDONJSA-N 1 0 209.333 3.757 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccco1 ZINC000309118796 491145119 /nfs/dbraw/zinc/14/51/19/491145119.db2.gz MRUIEFFBLZNLNM-NSHDSACASA-N 1 0 209.333 3.757 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1C ZINC000309120890 529334933 /nfs/dbraw/zinc/33/49/33/529334933.db2.gz TZYKTNCMZQHIBL-GHMZBOCLSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1C ZINC000309120891 529337475 /nfs/dbraw/zinc/33/74/75/529337475.db2.gz TZYKTNCMZQHIBL-MNOVXSKESA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1C ZINC000309120892 529683369 /nfs/dbraw/zinc/68/33/69/529683369.db2.gz TZYKTNCMZQHIBL-QWRGUYRKSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1C ZINC000309120893 529678903 /nfs/dbraw/zinc/67/89/03/529678903.db2.gz TZYKTNCMZQHIBL-WDEREUQCSA-N 1 0 225.401 3.971 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309121259 385427657 /nfs/dbraw/zinc/42/76/57/385427657.db2.gz NWNNLXHPCXPHPE-LBPRGKRZSA-N 1 0 207.317 3.595 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000309124518 711591907 /nfs/dbraw/zinc/59/19/07/711591907.db2.gz VULBCPKECWAZDA-JTQLQIEISA-N 1 0 225.401 3.828 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000309124520 711591877 /nfs/dbraw/zinc/59/18/77/711591877.db2.gz VULBCPKECWAZDA-SNVBAGLBSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1sccc1C[NH2+]CC(C)(C)C(C)C ZINC000309126127 229361460 /nfs/dbraw/zinc/36/14/60/229361460.db2.gz WHWFWIZYJUBPIQ-UHFFFAOYSA-N 1 0 225.401 3.828 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccccc2Cl)C1 ZINC000309126225 528889791 /nfs/dbraw/zinc/88/97/91/528889791.db2.gz PRPVLPITQVKZPI-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000309128587 168021133 /nfs/dbraw/zinc/02/11/33/168021133.db2.gz QOMQBQCTHXLWJF-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccccc1 ZINC000309133178 385105591 /nfs/dbraw/zinc/10/55/91/385105591.db2.gz RLUZELLLKUQRQT-CYBMUJFWSA-N 1 0 203.329 3.694 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccccc1 ZINC000309133181 527408324 /nfs/dbraw/zinc/40/83/24/527408324.db2.gz RLUZELLLKUQRQT-ZDUSSCGKSA-N 1 0 203.329 3.694 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1nccs1 ZINC000309134541 385105411 /nfs/dbraw/zinc/10/54/11/385105411.db2.gz BQDXTZBWPGKJMB-NWDGAFQWSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1nccs1 ZINC000309134542 385105880 /nfs/dbraw/zinc/10/58/80/385105880.db2.gz BQDXTZBWPGKJMB-RYUDHWBXSA-N 1 0 236.384 3.683 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccsc1 ZINC000309135235 491145382 /nfs/dbraw/zinc/14/53/82/491145382.db2.gz RYEMSGUKFPGWEV-SECBINFHSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccsc1 ZINC000309135243 491145397 /nfs/dbraw/zinc/14/53/97/491145397.db2.gz RYEMSGUKFPGWEV-VIFPVBQESA-N 1 0 221.325 3.500 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCCSC1 ZINC000309141372 385109876 /nfs/dbraw/zinc/10/98/76/385109876.db2.gz HHACCJZODXSWFI-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCCSC1 ZINC000309141373 385108642 /nfs/dbraw/zinc/10/86/42/385108642.db2.gz HHACCJZODXSWFI-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCC1CC([NH2+]CC2(CC(C)C)CC2)C1 ZINC000309141377 385108684 /nfs/dbraw/zinc/10/86/84/385108684.db2.gz HHERKUKRKAJFIR-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000309141636 491145515 /nfs/dbraw/zinc/14/55/15/491145515.db2.gz HHRFVDSPZAPCGM-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000309141641 491145562 /nfs/dbraw/zinc/14/55/62/491145562.db2.gz HHRFVDSPZAPCGM-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000309141645 491145521 /nfs/dbraw/zinc/14/55/21/491145521.db2.gz HHRFVDSPZAPCGM-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000309141649 491145505 /nfs/dbraw/zinc/14/55/05/491145505.db2.gz HHRFVDSPZAPCGM-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCSC ZINC000309142190 385109372 /nfs/dbraw/zinc/10/93/72/385109372.db2.gz HLXXEAONRLOTDJ-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCSC ZINC000309142198 385108782 /nfs/dbraw/zinc/10/87/82/385108782.db2.gz HLXXEAONRLOTDJ-UPJWGTAASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCSC ZINC000309142205 385108817 /nfs/dbraw/zinc/10/88/17/385108817.db2.gz HLXXEAONRLOTDJ-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCSC ZINC000309142211 385108583 /nfs/dbraw/zinc/10/85/83/385108583.db2.gz HLXXEAONRLOTDJ-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)s1 ZINC000309144658 631910062 /nfs/dbraw/zinc/91/00/62/631910062.db2.gz UTVWAGGNQQHQDV-IWIIMEHWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@H](C)CC[C@H]2C)s1 ZINC000309144659 631909569 /nfs/dbraw/zinc/90/95/69/631909569.db2.gz UTVWAGGNQQHQDV-NXEZZACHSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)s1 ZINC000309144660 631910041 /nfs/dbraw/zinc/91/00/41/631910041.db2.gz UTVWAGGNQQHQDV-UWVGGRQHSA-N 1 0 223.385 3.581 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1C=CCCC1 ZINC000309144681 533730862 /nfs/dbraw/zinc/73/08/62/533730862.db2.gz UURQALSBDNEDBG-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000309144682 385108776 /nfs/dbraw/zinc/10/87/76/385108776.db2.gz UURQALSBDNEDBG-RFQIPJPRSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000309144683 533831000 /nfs/dbraw/zinc/83/10/00/533831000.db2.gz UURQALSBDNEDBG-RQJABVFESA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1C=CCCC1 ZINC000309144684 385108861 /nfs/dbraw/zinc/10/88/61/385108861.db2.gz UURQALSBDNEDBG-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000309144704 350107007 /nfs/dbraw/zinc/10/70/07/350107007.db2.gz UVMQRUWOMUSEEG-CYBMUJFWSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000309144705 350107010 /nfs/dbraw/zinc/10/70/10/350107010.db2.gz UVMQRUWOMUSEEG-ZDUSSCGKSA-N 1 0 221.369 3.645 20 0 BHADRO CC(C)C1CCC([NH2+]CCCCF)CC1 ZINC000309144895 527646619 /nfs/dbraw/zinc/64/66/19/527646619.db2.gz UWQSXJZOCRWWID-UHFFFAOYSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000309149420 631910390 /nfs/dbraw/zinc/91/03/90/631910390.db2.gz WAQDRGIBUDOZCV-GXTWGEPZSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000309149421 632648112 /nfs/dbraw/zinc/64/81/12/632648112.db2.gz WAQDRGIBUDOZCV-JSGCOSHPSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000309149422 631909685 /nfs/dbraw/zinc/90/96/85/631909685.db2.gz WAQDRGIBUDOZCV-OCCSQVGLSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000309149423 632648755 /nfs/dbraw/zinc/64/87/55/632648755.db2.gz WAQDRGIBUDOZCV-TZMCWYRMSA-N 1 0 207.361 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCC(C)(C)C)CC1 ZINC000309149452 350107474 /nfs/dbraw/zinc/10/74/74/350107474.db2.gz WBNNTZIVFUEYRT-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC000309149453 350107644 /nfs/dbraw/zinc/10/76/44/350107644.db2.gz WBNNTZIVFUEYRT-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)C1CCCCC1 ZINC000309156490 385136007 /nfs/dbraw/zinc/13/60/07/385136007.db2.gz XMSUTVHHEFERQO-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)C1CCCCC1 ZINC000309156491 322897525 /nfs/dbraw/zinc/89/75/25/322897525.db2.gz XMSUTVHHEFERQO-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)C1CCC1 ZINC000309160906 229563552 /nfs/dbraw/zinc/56/35/52/229563552.db2.gz YZGMKQBDNGWMJN-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)C1CCC1 ZINC000309160908 385131905 /nfs/dbraw/zinc/13/19/05/385131905.db2.gz YZGMKQBDNGWMJN-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C(C)(C)C1CC1 ZINC000309161459 323321769 /nfs/dbraw/zinc/32/17/69/323321769.db2.gz ZGLSQADLMFUODE-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C1CC1 ZINC000309161460 323321867 /nfs/dbraw/zinc/32/18/67/323321867.db2.gz ZGLSQADLMFUODE-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C(C)(C)C1CC1 ZINC000309161461 323321714 /nfs/dbraw/zinc/32/17/14/323321714.db2.gz ZGLSQADLMFUODE-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C1CC1 ZINC000309161462 323081802 /nfs/dbraw/zinc/08/18/02/323081802.db2.gz ZGLSQADLMFUODE-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](SC)C(C)(C)C)C(C)C ZINC000309163833 385162251 /nfs/dbraw/zinc/16/22/51/385162251.db2.gz HZYZSTWXWUVUDN-NEPJUHHUSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)C(C)C ZINC000309163834 385162329 /nfs/dbraw/zinc/16/23/29/385162329.db2.gz HZYZSTWXWUVUDN-NWDGAFQWSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)C(C)C ZINC000309163835 385164875 /nfs/dbraw/zinc/16/48/75/385164875.db2.gz HZYZSTWXWUVUDN-RYUDHWBXSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](SC)C(C)(C)C)C(C)C ZINC000309163836 385166286 /nfs/dbraw/zinc/16/62/86/385166286.db2.gz HZYZSTWXWUVUDN-VXGBXAGGSA-N 1 0 231.449 3.788 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000309164411 256523383 /nfs/dbraw/zinc/52/33/83/256523383.db2.gz IHZMJYOZXDHGTG-NXEZZACHSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000309164412 385166253 /nfs/dbraw/zinc/16/62/53/385166253.db2.gz IHZMJYOZXDHGTG-UWVGGRQHSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000309164413 256523547 /nfs/dbraw/zinc/52/35/47/256523547.db2.gz IHZMJYOZXDHGTG-VHSXEESVSA-N 1 0 225.298 3.886 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000309164414 256523450 /nfs/dbraw/zinc/52/34/50/256523450.db2.gz IHZMJYOZXDHGTG-ZJUUUORDSA-N 1 0 225.298 3.886 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](SC)C(C)(C)C)C1CC1 ZINC000309165371 385165699 /nfs/dbraw/zinc/16/56/99/385165699.db2.gz ITUVCRQBZWSSLS-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)C1CC1 ZINC000309165372 385165737 /nfs/dbraw/zinc/16/57/37/385165737.db2.gz ITUVCRQBZWSSLS-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)C1CC1 ZINC000309165373 385165660 /nfs/dbraw/zinc/16/56/60/385165660.db2.gz ITUVCRQBZWSSLS-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](SC)C(C)(C)C)C1CC1 ZINC000309165374 256523455 /nfs/dbraw/zinc/52/34/55/256523455.db2.gz ITUVCRQBZWSSLS-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309166234 633852917 /nfs/dbraw/zinc/85/29/17/633852917.db2.gz JAIWNPHRTUXUDJ-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309166235 631925478 /nfs/dbraw/zinc/92/54/78/631925478.db2.gz JAIWNPHRTUXUDJ-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309166236 385165036 /nfs/dbraw/zinc/16/50/36/385165036.db2.gz JALYESIWMXYFIY-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309166237 256523540 /nfs/dbraw/zinc/52/35/40/256523540.db2.gz JALYESIWMXYFIY-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H](C)C(C)C)s1 ZINC000309166249 385165076 /nfs/dbraw/zinc/16/50/76/385165076.db2.gz JBDDRSOLELZTTB-JTQLQIEISA-N 1 0 243.441 3.852 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H](C)C(C)C)s1 ZINC000309166250 385164593 /nfs/dbraw/zinc/16/45/93/385164593.db2.gz JBDDRSOLELZTTB-SNVBAGLBSA-N 1 0 243.441 3.852 20 0 BHADRO CCCCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000309166500 631926297 /nfs/dbraw/zinc/92/62/97/631926297.db2.gz JFBSROQQALUWDQ-UHFFFAOYSA-N 1 0 247.169 3.668 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H](C)C2CC2)s1 ZINC000309166917 491146073 /nfs/dbraw/zinc/14/60/73/491146073.db2.gz JLIBNXPMHLCDGB-SECBINFHSA-N 1 0 241.425 3.606 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H](C)C2CC2)s1 ZINC000309166918 491146072 /nfs/dbraw/zinc/14/60/72/491146072.db2.gz JLIBNXPMHLCDGB-VIFPVBQESA-N 1 0 241.425 3.606 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CCSCC1 ZINC000309166976 256523594 /nfs/dbraw/zinc/52/35/94/256523594.db2.gz JMYYSHRWEYOQOI-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CCSCC1 ZINC000309166977 385164887 /nfs/dbraw/zinc/16/48/87/385164887.db2.gz JMYYSHRWEYOQOI-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CCSCC1 ZINC000309166979 256523386 /nfs/dbraw/zinc/52/33/86/256523386.db2.gz JMYYSHRWEYOQOI-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCSCC1 ZINC000309166981 385165113 /nfs/dbraw/zinc/16/51/13/385165113.db2.gz JMYYSHRWEYOQOI-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccsc1 ZINC000309167835 385446075 /nfs/dbraw/zinc/44/60/75/385446075.db2.gz JVJRKRDHYNMIKX-NEPJUHHUSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccsc1 ZINC000309167836 385446513 /nfs/dbraw/zinc/44/65/13/385446513.db2.gz JVJRKRDHYNMIKX-NWDGAFQWSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC1(C)C)c1ccsc1 ZINC000309167837 385446330 /nfs/dbraw/zinc/44/63/30/385446330.db2.gz JVJRKRDHYNMIKX-RYUDHWBXSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccsc1 ZINC000309167838 385445944 /nfs/dbraw/zinc/44/59/44/385445944.db2.gz JVJRKRDHYNMIKX-VXGBXAGGSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccs1 ZINC000309167855 385446270 /nfs/dbraw/zinc/44/62/70/385446270.db2.gz JVWMCMOUUVVVEO-SECBINFHSA-N 1 0 231.311 3.587 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cccs1 ZINC000309167856 385446302 /nfs/dbraw/zinc/44/63/02/385446302.db2.gz JVWMCMOUUVVVEO-VIFPVBQESA-N 1 0 231.311 3.587 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]C1CCC1 ZINC000309168468 385167294 /nfs/dbraw/zinc/16/72/94/385167294.db2.gz KCCZUZBIIBPMTC-UHFFFAOYSA-N 1 0 223.747 3.599 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCSC1 ZINC000309168514 491146116 /nfs/dbraw/zinc/14/61/16/491146116.db2.gz KDULXEUOKNCHIL-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H]1CCSC1 ZINC000309168515 491146109 /nfs/dbraw/zinc/14/61/09/491146109.db2.gz KDULXEUOKNCHIL-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCSC1 ZINC000309168516 491146135 /nfs/dbraw/zinc/14/61/35/491146135.db2.gz KDULXEUOKNCHIL-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCSC1 ZINC000309168517 491146079 /nfs/dbraw/zinc/14/60/79/491146079.db2.gz KDULXEUOKNCHIL-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000309169726 631922787 /nfs/dbraw/zinc/92/27/87/631922787.db2.gz KVHVANJEIGVPLL-CHWSQXEVSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000309169727 632659721 /nfs/dbraw/zinc/65/97/21/632659721.db2.gz KVHVANJEIGVPLL-OLZOCXBDSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000309169728 631923239 /nfs/dbraw/zinc/92/32/39/631923239.db2.gz KVHVANJEIGVPLL-QWHCGFSZSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000309169729 631924323 /nfs/dbraw/zinc/92/43/23/631924323.db2.gz KVHVANJEIGVPLL-STQMWFEESA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)C(F)(F)F ZINC000309170663 350115267 /nfs/dbraw/zinc/11/52/67/350115267.db2.gz LGVKIIPYKVYHSR-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)C(F)(F)F ZINC000309170664 350114857 /nfs/dbraw/zinc/11/48/57/350114857.db2.gz LGVKIIPYKVYHSR-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@H](C)F)C1CCC1 ZINC000309171007 259311276 /nfs/dbraw/zinc/31/12/76/259311276.db2.gz LIZCICHMVFNBPW-AAEUAGOBSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@@H](C)F)C1CCC1 ZINC000309171009 259311296 /nfs/dbraw/zinc/31/12/96/259311296.db2.gz LIZCICHMVFNBPW-DGCLKSJQSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@H](C)F)C1CCC1 ZINC000309171011 259311303 /nfs/dbraw/zinc/31/13/03/259311303.db2.gz LIZCICHMVFNBPW-WCQYABFASA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@@H](C)F)C1CCC1 ZINC000309171014 259311308 /nfs/dbraw/zinc/31/13/08/259311308.db2.gz LIZCICHMVFNBPW-YPMHNXCESA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc(F)c1 ZINC000309174021 256523443 /nfs/dbraw/zinc/52/34/43/256523443.db2.gz BIOUJDLHSXMBHO-GWCFXTLKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1 ZINC000309174023 322898460 /nfs/dbraw/zinc/89/84/60/322898460.db2.gz BIOUJDLHSXMBHO-GXFFZTMASA-N 1 0 221.319 3.665 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1ccccc1 ZINC000309174686 322898449 /nfs/dbraw/zinc/89/84/49/322898449.db2.gz MHJXDKMUUYWQPY-DSYXLKISSA-N 1 0 203.329 3.694 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1ccccc1 ZINC000309174687 322898509 /nfs/dbraw/zinc/89/85/09/322898509.db2.gz MHJXDKMUUYWQPY-ZFDPJTLLSA-N 1 0 203.329 3.694 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cccc(C)c1 ZINC000309175077 491145826 /nfs/dbraw/zinc/14/58/26/491145826.db2.gz BXQIBONIPNKRHJ-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cccc(C)c1 ZINC000309175079 491145875 /nfs/dbraw/zinc/14/58/75/491145875.db2.gz BXQIBONIPNKRHJ-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309175394 385444891 /nfs/dbraw/zinc/44/48/91/385444891.db2.gz MPLDAYMRLPFEER-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309175395 171364285 /nfs/dbraw/zinc/36/42/85/171364285.db2.gz MPLDAYMRLPFEER-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309175396 171389044 /nfs/dbraw/zinc/38/90/44/171389044.db2.gz MPLDAYMRLPFEER-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309175397 385444580 /nfs/dbraw/zinc/44/45/80/385444580.db2.gz MPLDAYMRLPFEER-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(C)c1 ZINC000309175836 346976760 /nfs/dbraw/zinc/97/67/60/346976760.db2.gz CKAPWEFVZCKJRU-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(C)c1 ZINC000309175837 385451278 /nfs/dbraw/zinc/45/12/78/385451278.db2.gz CKAPWEFVZCKJRU-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC)c1cccc(C)c1 ZINC000309175839 385451882 /nfs/dbraw/zinc/45/18/82/385451882.db2.gz CKAPWEFVZCKJRU-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(C)c1 ZINC000309175840 346977049 /nfs/dbraw/zinc/97/70/49/346977049.db2.gz CKAPWEFVZCKJRU-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO Cc1[nH+]ccc(NCCC2(C)CC2)c1Cl ZINC000309176275 180197995 /nfs/dbraw/zinc/19/79/95/180197995.db2.gz MTURWQFIOFFGHS-UHFFFAOYSA-N 1 0 224.735 3.646 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCSC1 ZINC000309176309 385451932 /nfs/dbraw/zinc/45/19/32/385451932.db2.gz MUHNMHGTWGHASQ-GFCCVEGCSA-N 1 0 229.433 3.546 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCSC1 ZINC000309176310 168316160 /nfs/dbraw/zinc/31/61/60/168316160.db2.gz MUHNMHGTWGHASQ-LBPRGKRZSA-N 1 0 229.433 3.546 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccs1 ZINC000309176327 385452143 /nfs/dbraw/zinc/45/21/43/385452143.db2.gz MUZCNEDOUCHLFG-AXFHLTTASA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccs1 ZINC000309176328 385451948 /nfs/dbraw/zinc/45/19/48/385451948.db2.gz MUZCNEDOUCHLFG-DCAQKATOSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccs1 ZINC000309176329 171541690 /nfs/dbraw/zinc/54/16/90/171541690.db2.gz MUZCNEDOUCHLFG-MXWKQRLJSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccs1 ZINC000309176330 385451357 /nfs/dbraw/zinc/45/13/57/385451357.db2.gz MUZCNEDOUCHLFG-VWYCJHECSA-N 1 0 227.348 3.679 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC2(CC2)CC1 ZINC000309177416 385171012 /nfs/dbraw/zinc/17/10/12/385171012.db2.gz NDUNRCZGUWNQOQ-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC2(CC2)CC1 ZINC000309177422 322898706 /nfs/dbraw/zinc/89/87/06/322898706.db2.gz NDUNRCZGUWNQOQ-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(SC)s1 ZINC000309177559 491145923 /nfs/dbraw/zinc/14/59/23/491145923.db2.gz NGMUWLZYLJLHCW-UHFFFAOYSA-N 1 0 243.441 3.996 20 0 BHADRO CC[C@H](C)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000309179358 491145916 /nfs/dbraw/zinc/14/59/16/491145916.db2.gz NLQSDHKRCHCRFT-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000309179359 491145894 /nfs/dbraw/zinc/14/58/94/491145894.db2.gz NLQSDHKRCHCRFT-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1CCCCC1 ZINC000309180155 322898629 /nfs/dbraw/zinc/89/86/29/322898629.db2.gz NNRQVBIYBCYXNS-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCCCC1 ZINC000309180162 322898711 /nfs/dbraw/zinc/89/87/11/322898711.db2.gz NNRQVBIYBCYXNS-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000309180250 632688697 /nfs/dbraw/zinc/68/86/97/632688697.db2.gz NOHMVDLENRYGKG-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000309180255 632688947 /nfs/dbraw/zinc/68/89/47/632688947.db2.gz NOHMVDLENRYGKG-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO C[C@H](CC[NH2+]CCCCF)c1ccccc1 ZINC000309180437 176630327 /nfs/dbraw/zinc/63/03/27/176630327.db2.gz FEFPTUNPEDMEGT-CYBMUJFWSA-N 1 0 223.335 3.520 20 0 BHADRO C[C@@H](CC[NH2+]CCCCF)c1ccccc1 ZINC000309180438 385454119 /nfs/dbraw/zinc/45/41/19/385454119.db2.gz FEFPTUNPEDMEGT-ZDUSSCGKSA-N 1 0 223.335 3.520 20 0 BHADRO CC[C@@H]([NH2+]C1CCC2(CC2)CC1)C(C)C ZINC000309180735 385453980 /nfs/dbraw/zinc/45/39/80/385453980.db2.gz NRGVKUYUDRQVCT-CYBMUJFWSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CCC2(CC2)CC1)C(C)C ZINC000309180736 171515262 /nfs/dbraw/zinc/51/52/62/171515262.db2.gz NRGVKUYUDRQVCT-ZDUSSCGKSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCSC1 ZINC000309181890 385203638 /nfs/dbraw/zinc/20/36/38/385203638.db2.gz NXYVJGHSNZOMAC-AVGNSLFASA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCSC1 ZINC000309181891 385202960 /nfs/dbraw/zinc/20/29/60/385202960.db2.gz NXYVJGHSNZOMAC-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCSC1 ZINC000309181892 385203546 /nfs/dbraw/zinc/20/35/46/385203546.db2.gz NXYVJGHSNZOMAC-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCSC1 ZINC000309181893 385204683 /nfs/dbraw/zinc/20/46/83/385204683.db2.gz NXYVJGHSNZOMAC-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CCSC ZINC000309181899 633853726 /nfs/dbraw/zinc/85/37/26/633853726.db2.gz NYCVRJNWWSIOGW-AVGNSLFASA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CCSC ZINC000309181900 633853789 /nfs/dbraw/zinc/85/37/89/633853789.db2.gz NYCVRJNWWSIOGW-RWMBFGLXSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CCSC ZINC000309181901 633853273 /nfs/dbraw/zinc/85/32/73/633853273.db2.gz NYCVRJNWWSIOGW-XQQFMLRXSA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CCSC ZINC000309181902 631924409 /nfs/dbraw/zinc/92/44/09/631924409.db2.gz NYCVRJNWWSIOGW-YNEHKIRRSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000309182413 385204322 /nfs/dbraw/zinc/20/43/22/385204322.db2.gz FXRQMQOJOOYVAD-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000309182415 528320500 /nfs/dbraw/zinc/32/05/00/528320500.db2.gz FXRQMQOJOOYVAD-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000309182416 385204720 /nfs/dbraw/zinc/20/47/20/385204720.db2.gz FXRQMQOJOOYVAD-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000309182417 528321087 /nfs/dbraw/zinc/32/10/87/528321087.db2.gz FXRQMQOJOOYVAD-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]([NH2+]CCCSCC(C)C)C1CC1 ZINC000309182465 385205016 /nfs/dbraw/zinc/20/50/16/385205016.db2.gz NZBFRWKULBAUPG-CYBMUJFWSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCSCC(C)C)C1CC1 ZINC000309182466 385204028 /nfs/dbraw/zinc/20/40/28/385204028.db2.gz NZBFRWKULBAUPG-ZDUSSCGKSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@H](CC)c1ccccc1F ZINC000309182943 350158216 /nfs/dbraw/zinc/15/82/16/350158216.db2.gz GCEKPAFDSINEKR-CYBMUJFWSA-N 1 0 241.375 3.620 20 0 BHADRO CCSCC[NH2+][C@@H](CC)c1ccccc1F ZINC000309182944 350158612 /nfs/dbraw/zinc/15/86/12/350158612.db2.gz GCEKPAFDSINEKR-ZDUSSCGKSA-N 1 0 241.375 3.620 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@@H]2C(C)C)CCC1 ZINC000309183204 491145938 /nfs/dbraw/zinc/14/59/38/491145938.db2.gz ODOKQERFFMPLSP-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@@H]2C(C)C)CCC1 ZINC000309183205 491145892 /nfs/dbraw/zinc/14/58/92/491145892.db2.gz ODOKQERFFMPLSP-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@H]2C(C)C)CCC1 ZINC000309183207 491145904 /nfs/dbraw/zinc/14/59/04/491145904.db2.gz ODOKQERFFMPLSP-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@H]2C(C)C)CCC1 ZINC000309183211 491145971 /nfs/dbraw/zinc/14/59/71/491145971.db2.gz ODOKQERFFMPLSP-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CCSCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000309183418 385200306 /nfs/dbraw/zinc/20/03/06/385200306.db2.gz GGQHVIUKHCXSIG-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000309183421 529181146 /nfs/dbraw/zinc/18/11/46/529181146.db2.gz GGQHVIUKHCXSIG-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000309183424 529181089 /nfs/dbraw/zinc/18/10/89/529181089.db2.gz GGQHVIUKHCXSIG-MELADBBJSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000309183427 385199989 /nfs/dbraw/zinc/19/99/89/385199989.db2.gz GGQHVIUKHCXSIG-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H]([NH2+]CCCSC)C1CCC1 ZINC000309183876 528855180 /nfs/dbraw/zinc/85/51/80/528855180.db2.gz OGLBFPWBSRDDNT-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H]([NH2+]CCCSC)C1CCC1 ZINC000309183878 385201550 /nfs/dbraw/zinc/20/15/50/385201550.db2.gz OGLBFPWBSRDDNT-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1SC ZINC000309183971 632704011 /nfs/dbraw/zinc/70/40/11/632704011.db2.gz OIHGFLNWBIFWCT-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1SC ZINC000309183972 632704338 /nfs/dbraw/zinc/70/43/38/632704338.db2.gz OIHGFLNWBIFWCT-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1SC ZINC000309183974 631923449 /nfs/dbraw/zinc/92/34/49/631923449.db2.gz OIHGFLNWBIFWCT-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1SC ZINC000309183976 632703866 /nfs/dbraw/zinc/70/38/66/632703866.db2.gz OIHGFLNWBIFWCT-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO CC1(C)CC([NH2+]CCCCF)CC(C)(C)C1 ZINC000309184170 385199722 /nfs/dbraw/zinc/19/97/22/385199722.db2.gz GMBMKRLIYBEXSE-UHFFFAOYSA-N 1 0 229.383 3.931 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CC1)c1ccsc1 ZINC000309184954 491145953 /nfs/dbraw/zinc/14/59/53/491145953.db2.gz ONNBZVVKOZPSHC-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[C@H]([NH2+]CCC1CC1)c1ccsc1 ZINC000309184962 491145987 /nfs/dbraw/zinc/14/59/87/491145987.db2.gz ONNBZVVKOZPSHC-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCCCF)cc1 ZINC000309185975 385199799 /nfs/dbraw/zinc/19/97/99/385199799.db2.gz HEZLGNSXQKXJNN-UHFFFAOYSA-N 1 0 223.335 3.649 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000309186300 385201634 /nfs/dbraw/zinc/20/16/34/385201634.db2.gz HGRDCJMGJOVTJE-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000309186303 529033153 /nfs/dbraw/zinc/03/31/53/529033153.db2.gz HGRDCJMGJOVTJE-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1c(F)cccc1Cl ZINC000309186779 385200756 /nfs/dbraw/zinc/20/07/56/385200756.db2.gz AEHNAFFHYOGOAY-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1c(F)cccc1Cl ZINC000309186780 385201394 /nfs/dbraw/zinc/20/13/94/385201394.db2.gz AEHNAFFHYOGOAY-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCC12CCCC2 ZINC000309188547 385201562 /nfs/dbraw/zinc/20/15/62/385201562.db2.gz PGOQHRGKFRXJHQ-CHWSQXEVSA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCC12CCCC2 ZINC000309188548 385200788 /nfs/dbraw/zinc/20/07/88/385200788.db2.gz PGOQHRGKFRXJHQ-OLZOCXBDSA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC12CCCC2 ZINC000309188549 385199747 /nfs/dbraw/zinc/19/97/47/385199747.db2.gz PGOQHRGKFRXJHQ-QWHCGFSZSA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCC12CCCC2 ZINC000309188550 385200025 /nfs/dbraw/zinc/20/00/25/385200025.db2.gz PGOQHRGKFRXJHQ-STQMWFEESA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)C ZINC000309189302 350159707 /nfs/dbraw/zinc/15/97/07/350159707.db2.gz PKFOVIGEVCWSIY-SECBINFHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C(C)C ZINC000309189304 350159661 /nfs/dbraw/zinc/15/96/61/350159661.db2.gz PKFOVIGEVCWSIY-VIFPVBQESA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)c2ccccc21 ZINC000309190680 176374746 /nfs/dbraw/zinc/37/47/46/176374746.db2.gz BHPXTWXFGHEAFI-BXUZGUMPSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2(C)CC2)c2ccccc21 ZINC000309190681 177369070 /nfs/dbraw/zinc/36/90/70/177369070.db2.gz BHPXTWXFGHEAFI-FZMZJTMJSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)c2ccccc21 ZINC000309190682 176420244 /nfs/dbraw/zinc/42/02/44/176420244.db2.gz BHPXTWXFGHEAFI-RISCZKNCSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)c2ccccc21 ZINC000309190683 177331043 /nfs/dbraw/zinc/33/10/43/177331043.db2.gz BHPXTWXFGHEAFI-SMDDNHRTSA-N 1 0 215.340 3.625 20 0 BHADRO Cc1ccsc1C[NH2+]CC1CC(C)(C)C1 ZINC000309191160 323326865 /nfs/dbraw/zinc/32/68/65/323326865.db2.gz PQMWNBFYGZLXQF-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(C)(C)COCC ZINC000309191271 528782158 /nfs/dbraw/zinc/78/21/58/528782158.db2.gz BMAXKANSKQWGNC-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(C)(C)COCC ZINC000309191272 385201380 /nfs/dbraw/zinc/20/13/80/385201380.db2.gz BMAXKANSKQWGNC-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cccc(C)c1 ZINC000309192143 385456944 /nfs/dbraw/zinc/45/69/44/385456944.db2.gz IVCQNKYWBBBSBU-HNNXBMFYSA-N 1 0 217.356 3.978 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cccc(C)c1 ZINC000309192145 385456496 /nfs/dbraw/zinc/45/64/96/385456496.db2.gz IVCQNKYWBBBSBU-OAHLLOKOSA-N 1 0 217.356 3.978 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1cccc(C)c1 ZINC000309192723 491146145 /nfs/dbraw/zinc/14/61/45/491146145.db2.gz IZCPRCPXWFXSDD-HNNXBMFYSA-N 1 0 215.340 3.754 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1cccc(C)c1 ZINC000309192724 491146139 /nfs/dbraw/zinc/14/61/39/491146139.db2.gz IZCPRCPXWFXSDD-OAHLLOKOSA-N 1 0 215.340 3.754 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309193087 323326850 /nfs/dbraw/zinc/32/68/50/323326850.db2.gz PZBUCUGHBCALQL-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309193088 323326782 /nfs/dbraw/zinc/32/67/82/323326782.db2.gz PZBUCUGHBCALQL-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309193089 323326386 /nfs/dbraw/zinc/32/63/86/323326386.db2.gz PZBUCUGHBCALQL-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309193090 323326765 /nfs/dbraw/zinc/32/67/65/323326765.db2.gz PZBUCUGHBCALQL-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO CCC[C@@H](C)C[NH2+]C(C)(C)CC(F)(F)F ZINC000309194643 491146215 /nfs/dbraw/zinc/14/62/15/491146215.db2.gz QHLZBUXWKAFXDS-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)C[NH2+]C(C)(C)CC(F)(F)F ZINC000309194647 491146169 /nfs/dbraw/zinc/14/61/69/491146169.db2.gz QHLZBUXWKAFXDS-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309195444 385204643 /nfs/dbraw/zinc/20/46/43/385204643.db2.gz QLTNJCBHPFVSTG-GHMZBOCLSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309195445 385204093 /nfs/dbraw/zinc/20/40/93/385204093.db2.gz QLTNJCBHPFVSTG-MNOVXSKESA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309195446 385203540 /nfs/dbraw/zinc/20/35/40/385203540.db2.gz QLTNJCBHPFVSTG-QWRGUYRKSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309195447 385204866 /nfs/dbraw/zinc/20/48/66/385204866.db2.gz QLTNJCBHPFVSTG-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309195468 385204060 /nfs/dbraw/zinc/20/40/60/385204060.db2.gz QMFMBDJYRPAGMC-AUZPSNTRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309195469 385204517 /nfs/dbraw/zinc/20/45/17/385204517.db2.gz QMFMBDJYRPAGMC-CDGCEXEKSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309195470 385203034 /nfs/dbraw/zinc/20/30/34/385203034.db2.gz QMFMBDJYRPAGMC-IMIFBBOLSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309195471 385202610 /nfs/dbraw/zinc/20/26/10/385202610.db2.gz QMFMBDJYRPAGMC-VTPLQMEGSA-N 1 0 209.377 3.589 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309198702 385205810 /nfs/dbraw/zinc/20/58/10/385205810.db2.gz BBOWHTKIRKJFFL-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309198703 533706857 /nfs/dbraw/zinc/70/68/57/533706857.db2.gz BBOWHTKIRKJFFL-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309198704 385207768 /nfs/dbraw/zinc/20/77/68/385207768.db2.gz BBOWHTKIRKJFFL-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309198705 533783562 /nfs/dbraw/zinc/78/35/62/533783562.db2.gz BBOWHTKIRKJFFL-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]([NH2+][C@H](C)C1CC1)C1CCC1 ZINC000309198729 528858123 /nfs/dbraw/zinc/85/81/23/528858123.db2.gz QWZXXTXMOMINBL-BXUZGUMPSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](C)C1CC1)C1CCC1 ZINC000309198730 385205884 /nfs/dbraw/zinc/20/58/84/385205884.db2.gz QWZXXTXMOMINBL-FZMZJTMJSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H]([NH2+][C@H](C)C1CC1)C1CCC1 ZINC000309198731 528996210 /nfs/dbraw/zinc/99/62/10/528996210.db2.gz QWZXXTXMOMINBL-RISCZKNCSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H](C)C1CC1)C1CCC1 ZINC000309198732 385208101 /nfs/dbraw/zinc/20/81/01/385208101.db2.gz QWZXXTXMOMINBL-SMDDNHRTSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CC2)CCCCC1 ZINC000309201387 385207005 /nfs/dbraw/zinc/20/70/05/385207005.db2.gz RJRIPUOVJDSHKR-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CC2)CCCCC1 ZINC000309201388 527752776 /nfs/dbraw/zinc/75/27/76/527752776.db2.gz RJRIPUOVJDSHKR-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccsc1 ZINC000309202414 385478183 /nfs/dbraw/zinc/47/81/83/385478183.db2.gz RNDRTSQKCFZSRS-DRZSPHRISA-N 1 0 223.385 3.835 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccsc1 ZINC000309202423 385477731 /nfs/dbraw/zinc/47/77/31/385477731.db2.gz RNDRTSQKCFZSRS-RTXFEEFZSA-N 1 0 223.385 3.835 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccsc1 ZINC000309202431 385478077 /nfs/dbraw/zinc/47/80/77/385478077.db2.gz RNDRTSQKCFZSRS-UHTWSYAYSA-N 1 0 223.385 3.835 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccsc1 ZINC000309202438 169510452 /nfs/dbraw/zinc/51/04/52/169510452.db2.gz RNDRTSQKCFZSRS-WXHSDQCUSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCF ZINC000309203403 385206504 /nfs/dbraw/zinc/20/65/04/385206504.db2.gz RQKGDXLWRNWGNJ-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCF ZINC000309203410 529437174 /nfs/dbraw/zinc/43/71/74/529437174.db2.gz RQKGDXLWRNWGNJ-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCF ZINC000309203416 385208275 /nfs/dbraw/zinc/20/82/75/385208275.db2.gz RQKGDXLWRNWGNJ-XQQFMLRXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCF ZINC000309203423 529421353 /nfs/dbraw/zinc/42/13/53/529421353.db2.gz RQKGDXLWRNWGNJ-YNEHKIRRSA-N 1 0 215.356 3.541 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cs1 ZINC000309203427 533703131 /nfs/dbraw/zinc/70/31/31/533703131.db2.gz LWUQXHYUNLYQMN-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000309203429 229566466 /nfs/dbraw/zinc/56/64/66/229566466.db2.gz LWUQXHYUNLYQMN-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cs1 ZINC000309203432 385206274 /nfs/dbraw/zinc/20/62/74/385206274.db2.gz LWUQXHYUNLYQMN-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cs1 ZINC000309203434 385207544 /nfs/dbraw/zinc/20/75/44/385207544.db2.gz LWUQXHYUNLYQMN-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1cccs1 ZINC000309203625 385207936 /nfs/dbraw/zinc/20/79/36/385207936.db2.gz RSPJHSREQNRIBL-AATRIKPKSA-N 1 0 223.385 3.929 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1cccs1 ZINC000309203630 385207396 /nfs/dbraw/zinc/20/73/96/385207396.db2.gz RSPJHSREQNRIBL-WAYWQWQTSA-N 1 0 223.385 3.929 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(F)cc1Cl ZINC000309204419 385206836 /nfs/dbraw/zinc/20/68/36/385206836.db2.gz CDKBXICOVHKEEY-SECBINFHSA-N 1 0 247.716 3.879 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(F)cc1Cl ZINC000309204422 385206775 /nfs/dbraw/zinc/20/67/75/385206775.db2.gz CDKBXICOVHKEEY-VIFPVBQESA-N 1 0 247.716 3.879 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000309205253 350191574 /nfs/dbraw/zinc/19/15/74/350191574.db2.gz RXSUVVBMWYRWAG-JHJVBQTASA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000309205254 350191489 /nfs/dbraw/zinc/19/14/89/350191489.db2.gz RXSUVVBMWYRWAG-UPJWGTAASA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000309205255 350191442 /nfs/dbraw/zinc/19/14/42/350191442.db2.gz RXSUVVBMWYRWAG-XQQFMLRXSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000309205256 350191318 /nfs/dbraw/zinc/19/13/18/350191318.db2.gz RXSUVVBMWYRWAG-YNEHKIRRSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CCC1 ZINC000309205324 632811613 /nfs/dbraw/zinc/81/16/13/632811613.db2.gz SABCDEMHYMKQAU-BNOWGMLFSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CCC1 ZINC000309205325 632811950 /nfs/dbraw/zinc/81/19/50/632811950.db2.gz SABCDEMHYMKQAU-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CC[C@H]1C)C1CCC1 ZINC000309205326 631968665 /nfs/dbraw/zinc/96/86/65/631968665.db2.gz SABCDEMHYMKQAU-XBFCOCLRSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CCC1 ZINC000309205327 632811915 /nfs/dbraw/zinc/81/19/15/632811915.db2.gz SABCDEMHYMKQAU-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+]CC1CCC(F)(F)CC1 ZINC000309205346 528803982 /nfs/dbraw/zinc/80/39/82/528803982.db2.gz SAWBXRJLXSSCDL-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO FCCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000309205954 385480105 /nfs/dbraw/zinc/48/01/05/385480105.db2.gz CJGOAGKGLPYQDW-GFCCVEGCSA-N 1 0 239.359 3.563 20 0 BHADRO FCCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000309205958 385480457 /nfs/dbraw/zinc/48/04/57/385480457.db2.gz CJGOAGKGLPYQDW-LBPRGKRZSA-N 1 0 239.359 3.563 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H]1C ZINC000309207433 385204886 /nfs/dbraw/zinc/20/48/86/385204886.db2.gz MWKMOSRVVGEPNQ-GYSYKLTISA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000309207437 385204311 /nfs/dbraw/zinc/20/43/11/385204311.db2.gz MWKMOSRVVGEPNQ-JTNHKYCSSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000309207441 229564959 /nfs/dbraw/zinc/56/49/59/229564959.db2.gz MWKMOSRVVGEPNQ-MISXGVKJSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000309207445 385203722 /nfs/dbraw/zinc/20/37/22/385203722.db2.gz MWKMOSRVVGEPNQ-WDMOLILDSA-N 1 0 237.774 3.659 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCS[C@@H]1C ZINC000309208249 491146252 /nfs/dbraw/zinc/14/62/52/491146252.db2.gz SJYYSPHZMSZEME-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCS[C@H]1C ZINC000309208255 491146237 /nfs/dbraw/zinc/14/62/37/491146237.db2.gz SJYYSPHZMSZEME-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCS[C@H]1C ZINC000309208264 491053250 /nfs/dbraw/zinc/05/32/50/491053250.db2.gz SJYYSPHZMSZEME-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000309208270 491146239 /nfs/dbraw/zinc/14/62/39/491146239.db2.gz SJYYSPHZMSZEME-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC(CCC)[NH2+]CC(CC)(CC)OC ZINC000309208615 527999008 /nfs/dbraw/zinc/99/90/08/527999008.db2.gz CYPHSOCJPMHRKH-UHFFFAOYSA-N 1 0 229.408 3.750 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000309209288 535702817 /nfs/dbraw/zinc/70/28/17/535702817.db2.gz CZQRDQYUHYBVML-AWEZNQCLSA-N 1 0 223.335 3.867 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000309209289 136274927 /nfs/dbraw/zinc/27/49/27/136274927.db2.gz CZQRDQYUHYBVML-CQSZACIVSA-N 1 0 223.335 3.867 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]CCCC(C)C ZINC000309212688 385266335 /nfs/dbraw/zinc/26/63/35/385266335.db2.gz TUBYGMNPKRDQLP-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]CCCC(C)C ZINC000309212692 385267166 /nfs/dbraw/zinc/26/71/66/385267166.db2.gz TUBYGMNPKRDQLP-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000309213688 491146417 /nfs/dbraw/zinc/14/64/17/491146417.db2.gz TZEOUEPPFMGQHV-DXTPNHAXSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C\C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000309213689 491146445 /nfs/dbraw/zinc/14/64/45/491146445.db2.gz TZEOUEPPFMGQHV-HSBHDXMMSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000309213690 491146443 /nfs/dbraw/zinc/14/64/43/491146443.db2.gz TZEOUEPPFMGQHV-LQPUYASZSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C/C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000309213691 491146441 /nfs/dbraw/zinc/14/64/41/491146441.db2.gz TZEOUEPPFMGQHV-MASHWEEQSA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000309214191 385265719 /nfs/dbraw/zinc/26/57/19/385265719.db2.gz FEBVGZVORRTMAZ-AWEZNQCLSA-N 1 0 223.335 3.723 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000309214192 385265668 /nfs/dbraw/zinc/26/56/68/385265668.db2.gz FEBVGZVORRTMAZ-CQSZACIVSA-N 1 0 223.335 3.723 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(C)c1 ZINC000309215236 385484108 /nfs/dbraw/zinc/48/41/08/385484108.db2.gz PBKASJDLJMTOPK-AEGPPILISA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(C)c1 ZINC000309215238 385483236 /nfs/dbraw/zinc/48/32/36/385483236.db2.gz PBKASJDLJMTOPK-QEJZJMRPSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(C)c1 ZINC000309215240 171549920 /nfs/dbraw/zinc/54/99/20/171549920.db2.gz PBKASJDLJMTOPK-SNPRPXQTSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(C)c1 ZINC000309215242 385483491 /nfs/dbraw/zinc/48/34/91/385483491.db2.gz PBKASJDLJMTOPK-VHDGCEQUSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1cccs1 ZINC000309217010 385485089 /nfs/dbraw/zinc/48/50/89/385485089.db2.gz UOEOFFWTGCFICA-AXFHLTTASA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1cccs1 ZINC000309217018 171549903 /nfs/dbraw/zinc/54/99/03/171549903.db2.gz UOEOFFWTGCFICA-DCAQKATOSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1cccs1 ZINC000309217025 385486730 /nfs/dbraw/zinc/48/67/30/385486730.db2.gz UOEOFFWTGCFICA-GARJFASQSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1cccs1 ZINC000309217033 385486515 /nfs/dbraw/zinc/48/65/15/385486515.db2.gz UOEOFFWTGCFICA-HBNTYKKESA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1c(F)cccc1Cl ZINC000309218251 259311618 /nfs/dbraw/zinc/31/16/18/259311618.db2.gz FZEWKLGBWQOAOH-SECBINFHSA-N 1 0 247.716 3.879 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1c(F)cccc1Cl ZINC000309218252 259311643 /nfs/dbraw/zinc/31/16/43/259311643.db2.gz FZEWKLGBWQOAOH-VIFPVBQESA-N 1 0 247.716 3.879 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309218350 259311704 /nfs/dbraw/zinc/31/17/04/259311704.db2.gz USCQCQUPGFNWEP-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000309218351 259311753 /nfs/dbraw/zinc/31/17/53/259311753.db2.gz USCQCQUPGFNWEP-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000309218352 259311762 /nfs/dbraw/zinc/31/17/62/259311762.db2.gz USCQCQUPGFNWEP-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309218353 259311652 /nfs/dbraw/zinc/31/16/52/259311652.db2.gz USCQCQUPGFNWEP-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)(C)C1CCC([NH2+]CCCCF)CC1 ZINC000309218894 259311540 /nfs/dbraw/zinc/31/15/40/259311540.db2.gz GEKDVJLNKAHXJQ-UHFFFAOYSA-N 1 0 229.383 3.931 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000309219823 259311527 /nfs/dbraw/zinc/31/15/27/259311527.db2.gz QHEYVEZCNDBZIL-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000309219824 259311707 /nfs/dbraw/zinc/31/17/07/259311707.db2.gz QHEYVEZCNDBZIL-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000309220138 259311496 /nfs/dbraw/zinc/31/14/96/259311496.db2.gz VBJYMKIOBQPWGB-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000309220142 259311667 /nfs/dbraw/zinc/31/16/67/259311667.db2.gz VBJYMKIOBQPWGB-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000309220170 259311515 /nfs/dbraw/zinc/31/15/15/259311515.db2.gz VBVQBGFVOVBHSH-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000309220174 259311533 /nfs/dbraw/zinc/31/15/33/259311533.db2.gz VBVQBGFVOVBHSH-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1(C(F)F)CC1 ZINC000309220178 259311649 /nfs/dbraw/zinc/31/16/49/259311649.db2.gz VBVQBGFVOVBHSH-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000309220182 259311723 /nfs/dbraw/zinc/31/17/23/259311723.db2.gz VBVQBGFVOVBHSH-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO C/C=C/C[NH2+][C@@H](CCC)c1ccccc1 ZINC000309220254 488059614 /nfs/dbraw/zinc/05/96/14/488059614.db2.gz VCHSHAJDPPGROF-KQIUPUNMSA-N 1 0 203.329 3.694 20 0 BHADRO C/C=C/C[NH2+][C@H](CCC)c1ccccc1 ZINC000309220258 488059752 /nfs/dbraw/zinc/05/97/52/488059752.db2.gz VCHSHAJDPPGROF-LYKUJDHUSA-N 1 0 203.329 3.694 20 0 BHADRO C/C=C\C[NH2+][C@@H](CCC)c1ccccc1 ZINC000309220261 488059277 /nfs/dbraw/zinc/05/92/77/488059277.db2.gz VCHSHAJDPPGROF-MFBWXBCUSA-N 1 0 203.329 3.694 20 0 BHADRO C/C=C\C[NH2+][C@H](CCC)c1ccccc1 ZINC000309220264 488059905 /nfs/dbraw/zinc/05/99/05/488059905.db2.gz VCHSHAJDPPGROF-PKXJPQMGSA-N 1 0 203.329 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000309220871 259311760 /nfs/dbraw/zinc/31/17/60/259311760.db2.gz VDXMMKQEXFAESA-BZPMIXESSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309220872 386223455 /nfs/dbraw/zinc/22/34/55/386223455.db2.gz VDXMMKQEXFAESA-OUCADQQQSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309220873 259311706 /nfs/dbraw/zinc/31/17/06/259311706.db2.gz VDXMMKQEXFAESA-SCRDCRAPSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000309220874 259311586 /nfs/dbraw/zinc/31/15/86/259311586.db2.gz VDXMMKQEXFAESA-YRGRVCCFSA-N 1 0 203.329 3.526 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000309221146 259311574 /nfs/dbraw/zinc/31/15/74/259311574.db2.gz GRFUHIDTRYYDER-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CC1(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000309221147 385267727 /nfs/dbraw/zinc/26/77/27/385267727.db2.gz GRFUHIDTRYYDER-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cccc(C)c1 ZINC000309222159 385488243 /nfs/dbraw/zinc/48/82/43/385488243.db2.gz QTCLKOXGBYYSEK-AWEZNQCLSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccc(C)c1 ZINC000309222160 385487559 /nfs/dbraw/zinc/48/75/59/385487559.db2.gz QTCLKOXGBYYSEK-CQSZACIVSA-N 1 0 217.356 3.836 20 0 BHADRO CCC[N@@H+](Cc1cccc(Cl)n1)CC(C)C ZINC000309222824 631969133 /nfs/dbraw/zinc/96/91/33/631969133.db2.gz JILJABGJYLWALC-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CSCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309223003 385270022 /nfs/dbraw/zinc/27/00/22/385270022.db2.gz HCAJRMWZPXTQDD-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000309223004 385269689 /nfs/dbraw/zinc/26/96/89/385269689.db2.gz HCAJRMWZPXTQDD-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309224043 632824226 /nfs/dbraw/zinc/82/42/26/632824226.db2.gz VRMPOIVTDLFLPO-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309224045 631967229 /nfs/dbraw/zinc/96/72/29/631967229.db2.gz VRMPOIVTDLFLPO-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000309224182 528631162 /nfs/dbraw/zinc/63/11/62/528631162.db2.gz VTUGREHWJNTIGV-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@H]1SC ZINC000309224183 385269020 /nfs/dbraw/zinc/26/90/20/385269020.db2.gz VTUGREHWJNTIGV-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@@H]1SC ZINC000309224184 385271099 /nfs/dbraw/zinc/27/10/99/385271099.db2.gz VTUGREHWJNTIGV-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]1SC ZINC000309224185 385271378 /nfs/dbraw/zinc/27/13/78/385271378.db2.gz VTUGREHWJNTIGV-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)CC(C)C)CC1 ZINC000309225441 385268816 /nfs/dbraw/zinc/26/88/16/385268816.db2.gz VXJUCTKSUNVPGV-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCF)c(C)c1 ZINC000309225947 385270091 /nfs/dbraw/zinc/27/00/91/385270091.db2.gz HOSKSCOQWXJQIB-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCF)c(C)c1 ZINC000309225951 385271042 /nfs/dbraw/zinc/27/10/42/385271042.db2.gz HOSKSCOQWXJQIB-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccsc1 ZINC000309227209 385490714 /nfs/dbraw/zinc/49/07/14/385490714.db2.gz WEXNQCKGCORXQZ-DRZSPHRISA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccsc1 ZINC000309227214 385490268 /nfs/dbraw/zinc/49/02/68/385490268.db2.gz WEXNQCKGCORXQZ-RTXFEEFZSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccsc1 ZINC000309227217 385490475 /nfs/dbraw/zinc/49/04/75/385490475.db2.gz WEXNQCKGCORXQZ-UHTWSYAYSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccsc1 ZINC000309227222 385489625 /nfs/dbraw/zinc/48/96/25/385489625.db2.gz WEXNQCKGCORXQZ-WXHSDQCUSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309227318 528064694 /nfs/dbraw/zinc/06/46/94/528064694.db2.gz WFGVEIFADKBBMF-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309227328 385271265 /nfs/dbraw/zinc/27/12/65/385271265.db2.gz WFGVEIFADKBBMF-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC000309228679 385270486 /nfs/dbraw/zinc/27/04/86/385270486.db2.gz WIZBMJSHELNZGV-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309228723 385270063 /nfs/dbraw/zinc/27/00/63/385270063.db2.gz WJIHJUUVDJBOIS-GHMZBOCLSA-N 1 0 219.319 3.733 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309228729 385490905 /nfs/dbraw/zinc/49/09/05/385490905.db2.gz WJIHJUUVDJBOIS-MNOVXSKESA-N 1 0 219.319 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309228734 385269939 /nfs/dbraw/zinc/26/99/39/385269939.db2.gz WJIHJUUVDJBOIS-QWRGUYRKSA-N 1 0 219.319 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309228739 385270837 /nfs/dbraw/zinc/27/08/37/385270837.db2.gz WJIHJUUVDJBOIS-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(SC)s2)CC1 ZINC000309228825 385489454 /nfs/dbraw/zinc/48/94/54/385489454.db2.gz WJXYCQXPSKHQPW-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO CCC[N@@H+](Cc1ccc(Cl)nc1)CC(C)C ZINC000309230513 632827554 /nfs/dbraw/zinc/82/75/54/632827554.db2.gz KOONSWLTAHIIHY-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CS[C@H](C)C[NH2+]CCCC1CCCCC1 ZINC000309230673 385268840 /nfs/dbraw/zinc/26/88/40/385268840.db2.gz WQBUNERGARBWIH-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@@H](C)C[NH2+]CCCC1CCCCC1 ZINC000309230676 385269008 /nfs/dbraw/zinc/26/90/08/385269008.db2.gz WQBUNERGARBWIH-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc2sccc2c1 ZINC000309230710 385270012 /nfs/dbraw/zinc/27/00/12/385270012.db2.gz WQSRDGLEEAHVBY-JTQLQIEISA-N 1 0 219.353 3.789 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc2sccc2c1 ZINC000309230723 529374621 /nfs/dbraw/zinc/37/46/21/529374621.db2.gz WQSRDGLEEAHVBY-SNVBAGLBSA-N 1 0 219.353 3.789 20 0 BHADRO CCCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000309231509 322900782 /nfs/dbraw/zinc/90/07/82/322900782.db2.gz WTGPVGGFAPEFAS-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCCS1 ZINC000309232156 491146510 /nfs/dbraw/zinc/14/65/10/491146510.db2.gz WXPUFTBNRKNPHX-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCCS1 ZINC000309232159 491146490 /nfs/dbraw/zinc/14/64/90/491146490.db2.gz WXPUFTBNRKNPHX-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309232171 385272647 /nfs/dbraw/zinc/27/26/47/385272647.db2.gz WXSBFPCBPHGWMG-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309232173 322900667 /nfs/dbraw/zinc/90/06/67/322900667.db2.gz WXSBFPCBPHGWMG-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309232175 385272768 /nfs/dbraw/zinc/27/27/68/385272768.db2.gz WXSBFPCBPHGWMG-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309232177 322900722 /nfs/dbraw/zinc/90/07/22/322900722.db2.gz WXSBFPCBPHGWMG-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1cccs1 ZINC000309233523 256524112 /nfs/dbraw/zinc/52/41/12/256524112.db2.gz XDUJHWGGMNBJGX-GRYCIOLGSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1cccs1 ZINC000309233525 385276528 /nfs/dbraw/zinc/27/65/28/385276528.db2.gz XDUJHWGGMNBJGX-SDDRHHMPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1cccs1 ZINC000309233527 385275609 /nfs/dbraw/zinc/27/56/09/385275609.db2.gz XDUJHWGGMNBJGX-SRVKXCTJSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1cccs1 ZINC000309233529 385275538 /nfs/dbraw/zinc/27/55/38/385275538.db2.gz XDUJHWGGMNBJGX-WOPDTQHZSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000309233556 526648919 /nfs/dbraw/zinc/64/89/19/526648919.db2.gz JCCNRBGJIZQYDO-CHWSQXEVSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000309233558 385276840 /nfs/dbraw/zinc/27/68/40/385276840.db2.gz JCCNRBGJIZQYDO-OLZOCXBDSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000309233561 385276497 /nfs/dbraw/zinc/27/64/97/385276497.db2.gz JCCNRBGJIZQYDO-QWHCGFSZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000309233563 385275579 /nfs/dbraw/zinc/27/55/79/385275579.db2.gz JCCNRBGJIZQYDO-STQMWFEESA-N 1 0 229.383 3.931 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CC=C(C)C ZINC000309233576 491053351 /nfs/dbraw/zinc/05/33/51/491053351.db2.gz XEYMSJBYUBOSNY-GFCCVEGCSA-N 1 0 223.385 3.625 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CC=C(C)C ZINC000309233577 491146497 /nfs/dbraw/zinc/14/64/97/491146497.db2.gz XEYMSJBYUBOSNY-LBPRGKRZSA-N 1 0 223.385 3.625 20 0 BHADRO CCCC1CCC(C[NH2+][C@@H](C)CF)CC1 ZINC000309234180 528068150 /nfs/dbraw/zinc/06/81/50/528068150.db2.gz XHHQMZZUVZIJJP-HIFPTAJRSA-N 1 0 215.356 3.541 20 0 BHADRO CCCC1CCC(C[NH2+][C@H](C)CF)CC1 ZINC000309234183 385275724 /nfs/dbraw/zinc/27/57/24/385275724.db2.gz XHHQMZZUVZIJJP-PNESKVBLSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)CC(C)C ZINC000309234285 385276920 /nfs/dbraw/zinc/27/69/20/385276920.db2.gz XJGKQUCJARKRKZ-NXEZZACHSA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CC(C)C ZINC000309234287 529459481 /nfs/dbraw/zinc/45/94/81/529459481.db2.gz XJGKQUCJARKRKZ-UWVGGRQHSA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(C)C ZINC000309234288 529316853 /nfs/dbraw/zinc/31/68/53/529316853.db2.gz XJGKQUCJARKRKZ-VHSXEESVSA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)CC(C)C ZINC000309234289 385276197 /nfs/dbraw/zinc/27/61/97/385276197.db2.gz XJGKQUCJARKRKZ-ZJUUUORDSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@H]1CSC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309234557 385275391 /nfs/dbraw/zinc/27/53/91/385275391.db2.gz AIKRHFBFXZWPQI-AAEUAGOBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309234558 385276661 /nfs/dbraw/zinc/27/66/61/385276661.db2.gz AIKRHFBFXZWPQI-DGCLKSJQSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CSC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309234559 385276915 /nfs/dbraw/zinc/27/69/15/385276915.db2.gz AIKRHFBFXZWPQI-WCQYABFASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309234560 385276335 /nfs/dbraw/zinc/27/63/35/385276335.db2.gz AIKRHFBFXZWPQI-YPMHNXCESA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309236756 256524076 /nfs/dbraw/zinc/52/40/76/256524076.db2.gz XQGOWVJBPWSRHS-SSDOTTSWSA-N 1 0 237.290 3.655 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309236757 256524101 /nfs/dbraw/zinc/52/41/01/256524101.db2.gz XQGOWVJBPWSRHS-ZETCQYMHSA-N 1 0 237.290 3.655 20 0 BHADRO CCSCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000309237370 385275666 /nfs/dbraw/zinc/27/56/66/385275666.db2.gz VNIUKNUACVHPKN-AWEZNQCLSA-N 1 0 237.412 3.726 20 0 BHADRO CCSCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000309237371 385275223 /nfs/dbraw/zinc/27/52/23/385275223.db2.gz VNIUKNUACVHPKN-CQSZACIVSA-N 1 0 237.412 3.726 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(CC)(CC)OC ZINC000309238832 385276100 /nfs/dbraw/zinc/27/61/00/385276100.db2.gz KGUNKAJFPRMFPG-CYBMUJFWSA-N 1 0 229.408 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(CC)(CC)OC ZINC000309238833 385276429 /nfs/dbraw/zinc/27/64/29/385276429.db2.gz KGUNKAJFPRMFPG-ZDUSSCGKSA-N 1 0 229.408 3.750 20 0 BHADRO Cc1cccc(C[NH2+]CCSC(C)C)c1C ZINC000309239608 229567710 /nfs/dbraw/zinc/56/77/10/229567710.db2.gz WJIXRAFCJUIUFQ-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000309239842 323333669 /nfs/dbraw/zinc/33/36/69/323333669.db2.gz YEXYZKRCEAPIHE-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000309239843 323333617 /nfs/dbraw/zinc/33/36/17/323333617.db2.gz YEXYZKRCEAPIHE-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309240402 385275517 /nfs/dbraw/zinc/27/55/17/385275517.db2.gz YFCLBIJMLIJKKG-GFCCVEGCSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309240403 385276237 /nfs/dbraw/zinc/27/62/37/385276237.db2.gz YFCLBIJMLIJKKG-LBPRGKRZSA-N 1 0 209.377 3.901 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCF)cc1F ZINC000309240750 385496350 /nfs/dbraw/zinc/49/63/50/385496350.db2.gz WQCSIRRDCFROCJ-LLVKDONJSA-N 1 0 227.298 3.534 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCF)cc1F ZINC000309240752 385495717 /nfs/dbraw/zinc/49/57/17/385495717.db2.gz WQCSIRRDCFROCJ-NSHDSACASA-N 1 0 227.298 3.534 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccoc1C ZINC000309241485 491146595 /nfs/dbraw/zinc/14/65/95/491146595.db2.gz YKMDBJORTIPIGV-CYBMUJFWSA-N 1 0 209.333 3.646 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccoc1C ZINC000309241486 491053530 /nfs/dbraw/zinc/05/35/30/491053530.db2.gz YKMDBJORTIPIGV-ZDUSSCGKSA-N 1 0 209.333 3.646 20 0 BHADRO CCCCCC[C@@H]1CCC[C@H]1[NH2+]CCF ZINC000309241499 632835051 /nfs/dbraw/zinc/83/50/51/632835051.db2.gz YKYNFXAFEGXASF-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCF ZINC000309241500 632835420 /nfs/dbraw/zinc/83/54/20/632835420.db2.gz YKYNFXAFEGXASF-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCCC[C@H]1CCC[C@H]1[NH2+]CCF ZINC000309241501 632835814 /nfs/dbraw/zinc/83/58/14/632835814.db2.gz YKYNFXAFEGXASF-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCCC[C@H]1CCC[C@@H]1[NH2+]CCF ZINC000309241502 632836340 /nfs/dbraw/zinc/83/63/40/632836340.db2.gz YKYNFXAFEGXASF-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO C1CCC2(C1)CCCC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000309242854 385287083 /nfs/dbraw/zinc/28/70/83/385287083.db2.gz LDOPEXXPECIEDE-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCCC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000309242855 259311947 /nfs/dbraw/zinc/31/19/47/259311947.db2.gz LDOPEXXPECIEDE-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCCC[C@H]2[NH2+][C@H]1CCSC1 ZINC000309242856 259311868 /nfs/dbraw/zinc/31/18/68/259311868.db2.gz LDOPEXXPECIEDE-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCCC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000309242858 259311864 /nfs/dbraw/zinc/31/18/64/259311864.db2.gz LDOPEXXPECIEDE-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO CCCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309243177 259311897 /nfs/dbraw/zinc/31/18/97/259311897.db2.gz YQSJKQMFUHTESY-UHFFFAOYSA-N 1 0 223.747 3.719 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000309244660 259311934 /nfs/dbraw/zinc/31/19/34/259311934.db2.gz YXASLCDTFGUPHZ-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000309244665 259311914 /nfs/dbraw/zinc/31/19/14/259311914.db2.gz YXASLCDTFGUPHZ-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000309244669 259311856 /nfs/dbraw/zinc/31/18/56/259311856.db2.gz YXASLCDTFGUPHZ-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000309244674 259311846 /nfs/dbraw/zinc/31/18/46/259311846.db2.gz YXASLCDTFGUPHZ-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309244757 259311876 /nfs/dbraw/zinc/31/18/76/259311876.db2.gz YZVGEOMJOKPGJU-GHMZBOCLSA-N 1 0 225.763 3.832 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309244758 259311912 /nfs/dbraw/zinc/31/19/12/259311912.db2.gz YZVGEOMJOKPGJU-MNOVXSKESA-N 1 0 225.763 3.832 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309244759 259311970 /nfs/dbraw/zinc/31/19/70/259311970.db2.gz YZVGEOMJOKPGJU-QWRGUYRKSA-N 1 0 225.763 3.832 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309244760 259311852 /nfs/dbraw/zinc/31/18/52/259311852.db2.gz YZVGEOMJOKPGJU-WDEREUQCSA-N 1 0 225.763 3.832 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000309244776 259311881 /nfs/dbraw/zinc/31/18/81/259311881.db2.gz XXLQNLIWSGNZEL-CYBMUJFWSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000309244777 259311854 /nfs/dbraw/zinc/31/18/54/259311854.db2.gz XXLQNLIWSGNZEL-ZDUSSCGKSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(C)c1 ZINC000309244781 259311937 /nfs/dbraw/zinc/31/19/37/259311937.db2.gz XXQLCJWDZKLYPA-CFVMTHIKSA-N 1 0 217.356 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(C)c1 ZINC000309244782 259311956 /nfs/dbraw/zinc/31/19/56/259311956.db2.gz XXQLCJWDZKLYPA-QEJZJMRPSA-N 1 0 217.356 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(C)c1 ZINC000309244783 259311896 /nfs/dbraw/zinc/31/18/96/259311896.db2.gz XXQLCJWDZKLYPA-SNPRPXQTSA-N 1 0 217.356 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(C)c1 ZINC000309244784 259311943 /nfs/dbraw/zinc/31/19/43/259311943.db2.gz XXQLCJWDZKLYPA-YUELXQCFSA-N 1 0 217.356 3.692 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCF)C1 ZINC000309246445 259311910 /nfs/dbraw/zinc/31/19/10/259311910.db2.gz MAZQXYHSYFBHAT-KBPBESRZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCCF)C1 ZINC000309246446 259311942 /nfs/dbraw/zinc/31/19/42/259311942.db2.gz MAZQXYHSYFBHAT-KGLIPLIRSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCCF)C1 ZINC000309246447 259311915 /nfs/dbraw/zinc/31/19/15/259311915.db2.gz MAZQXYHSYFBHAT-UONOGXRCSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCCF)C1 ZINC000309246448 259311901 /nfs/dbraw/zinc/31/19/01/259311901.db2.gz MAZQXYHSYFBHAT-ZIAGYGMSSA-N 1 0 229.383 3.931 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1cccc(C)c1 ZINC000309246512 410910229 /nfs/dbraw/zinc/91/02/29/410910229.db2.gz MBYUOYSLNSTWKY-AWEZNQCLSA-N 1 0 223.335 3.785 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1cccc(C)c1 ZINC000309246515 170894087 /nfs/dbraw/zinc/89/40/87/170894087.db2.gz MBYUOYSLNSTWKY-CQSZACIVSA-N 1 0 223.335 3.785 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000309246803 259311891 /nfs/dbraw/zinc/31/18/91/259311891.db2.gz ZIHQGSRHSVAKIS-AAEUAGOBSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000309246804 259311877 /nfs/dbraw/zinc/31/18/77/259311877.db2.gz ZIHQGSRHSVAKIS-DGCLKSJQSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000309246805 259311870 /nfs/dbraw/zinc/31/18/70/259311870.db2.gz ZIHQGSRHSVAKIS-WCQYABFASA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000309246806 259311880 /nfs/dbraw/zinc/31/18/80/259311880.db2.gz ZIHQGSRHSVAKIS-YPMHNXCESA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000309248289 259311874 /nfs/dbraw/zinc/31/18/74/259311874.db2.gz ZPRQPVPRYRNGFB-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000309248292 259311859 /nfs/dbraw/zinc/31/18/59/259311859.db2.gz ZPRQPVPRYRNGFB-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000309248294 259311948 /nfs/dbraw/zinc/31/19/48/259311948.db2.gz ZPRQPVPRYRNGFB-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000309248296 259311935 /nfs/dbraw/zinc/31/19/35/259311935.db2.gz ZPRQPVPRYRNGFB-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C ZINC000309248332 259311889 /nfs/dbraw/zinc/31/18/89/259311889.db2.gz ZQBUZRLIFBYRSS-CRWXNKLISA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C ZINC000309248334 259311865 /nfs/dbraw/zinc/31/18/65/259311865.db2.gz ZQBUZRLIFBYRSS-DGAVXFQQSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C ZINC000309248336 259311923 /nfs/dbraw/zinc/31/19/23/259311923.db2.gz ZQBUZRLIFBYRSS-MQYQWHSLSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C ZINC000309248338 259311883 /nfs/dbraw/zinc/31/18/83/259311883.db2.gz ZQBUZRLIFBYRSS-SYQHCUMBSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)s1 ZINC000309248685 632841367 /nfs/dbraw/zinc/84/13/67/632841367.db2.gz ZDCXJUHWFQKFCC-GZMMTYOYSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c(C)s1 ZINC000309248686 632841103 /nfs/dbraw/zinc/84/11/03/632841103.db2.gz ZDCXJUHWFQKFCC-KCJUWKMLSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H]2CCC2(C)C)c(C)s1 ZINC000309248687 632840653 /nfs/dbraw/zinc/84/06/53/632840653.db2.gz ZDCXJUHWFQKFCC-KWQFWETISA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)s1 ZINC000309248688 631981758 /nfs/dbraw/zinc/98/17/58/631981758.db2.gz ZDCXJUHWFQKFCC-LDYMZIIASA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1F ZINC000309251296 385502522 /nfs/dbraw/zinc/50/25/22/385502522.db2.gz ZXLWPJDVFNGJED-BPNCWPANSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1F ZINC000309251297 385501559 /nfs/dbraw/zinc/50/15/59/385501559.db2.gz ZXLWPJDVFNGJED-DDTOSNHZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1F ZINC000309251298 171541948 /nfs/dbraw/zinc/54/19/48/171541948.db2.gz ZXLWPJDVFNGJED-LEWSCRJBSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1F ZINC000309251299 385501761 /nfs/dbraw/zinc/50/17/61/385501761.db2.gz ZXLWPJDVFNGJED-SWHYSGLUSA-N 1 0 221.319 3.665 20 0 BHADRO Cc1ccc(F)cc1C[NH+]1CCCCCC1 ZINC000309251368 398014215 /nfs/dbraw/zinc/01/42/15/398014215.db2.gz BKBFYBFKCXPYNJ-UHFFFAOYSA-N 1 0 221.319 3.510 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cs1 ZINC000309255768 178035788 /nfs/dbraw/zinc/03/57/88/178035788.db2.gz CGVYRUIJPIXHOZ-COPLHBTASA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cs1 ZINC000309255774 178034595 /nfs/dbraw/zinc/03/45/95/178034595.db2.gz CGVYRUIJPIXHOZ-JTNHKYCSSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cs1 ZINC000309255782 178035590 /nfs/dbraw/zinc/03/55/90/178035590.db2.gz CGVYRUIJPIXHOZ-MISXGVKJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC000309255788 178035684 /nfs/dbraw/zinc/03/56/84/178035684.db2.gz CGVYRUIJPIXHOZ-UHIISALHSA-N 1 0 237.412 3.971 20 0 BHADRO CCC(CC)(C[NH2+]C1CCCCCC1)OC ZINC000309257138 528690906 /nfs/dbraw/zinc/69/09/06/528690906.db2.gz OMBAXNYMVNGQRO-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC[N@H+](Cc1cccnc1Cl)CC(C)(C)C ZINC000309259930 632853414 /nfs/dbraw/zinc/85/34/14/632853414.db2.gz BPMLRFQQDPQUAT-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C([NH2+]C12CCC(CC1)C2)C1CCCCCC1 ZINC000309265632 632863019 /nfs/dbraw/zinc/86/30/19/632863019.db2.gz CCXIKVYILNWSCC-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000309266905 383828972 /nfs/dbraw/zinc/82/89/72/383828972.db2.gz FIKTXZCNDITPKA-GXTWGEPZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000309266906 383828994 /nfs/dbraw/zinc/82/89/94/383828994.db2.gz FIKTXZCNDITPKA-JSGCOSHPSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)C1CCC(C[NH2+]CCCCF)CC1 ZINC000309267501 383828574 /nfs/dbraw/zinc/82/85/74/383828574.db2.gz QJFDKBACQOZEFW-UHFFFAOYSA-N 1 0 229.383 3.788 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000309270671 383823841 /nfs/dbraw/zinc/82/38/41/383823841.db2.gz GERSUPKHBLGEDI-GXTWGEPZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000309270673 383825688 /nfs/dbraw/zinc/82/56/88/383825688.db2.gz GERSUPKHBLGEDI-JSGCOSHPSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000309271150 383831660 /nfs/dbraw/zinc/83/16/60/383831660.db2.gz GERSUPKHBLGEDI-OCCSQVGLSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000309271153 383831907 /nfs/dbraw/zinc/83/19/07/383831907.db2.gz GERSUPKHBLGEDI-TZMCWYRMSA-N 1 0 217.356 3.568 20 0 BHADRO FCCCC[NH2+]Cc1csc2ccccc12 ZINC000309271406 385505947 /nfs/dbraw/zinc/50/59/47/385505947.db2.gz RGMYUXKUYKZUSF-UHFFFAOYSA-N 1 0 237.343 3.741 20 0 BHADRO FCCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000309271936 180926931 /nfs/dbraw/zinc/92/69/31/180926931.db2.gz RHMXXYXRHCFPDO-UHFFFAOYSA-N 1 0 227.367 3.829 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000309282141 383829792 /nfs/dbraw/zinc/82/97/92/383829792.db2.gz HZDSBOHBWRWGLJ-GWCFXTLKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000309282145 229568403 /nfs/dbraw/zinc/56/84/03/229568403.db2.gz HZDSBOHBWRWGLJ-GXFFZTMASA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000309282148 383832132 /nfs/dbraw/zinc/83/21/32/383832132.db2.gz HZDSBOHBWRWGLJ-MFKMUULPSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000309282152 383831577 /nfs/dbraw/zinc/83/15/77/383831577.db2.gz HZDSBOHBWRWGLJ-ZWNOBZJWSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@H]1C ZINC000309282658 383830904 /nfs/dbraw/zinc/83/09/04/383830904.db2.gz FZCLJKNMPJNVRM-GRYCIOLGSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@@H]1C ZINC000309282660 533642320 /nfs/dbraw/zinc/64/23/20/533642320.db2.gz FZCLJKNMPJNVRM-IJLUTSLNSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)[C@@H]1C ZINC000309282662 383831955 /nfs/dbraw/zinc/83/19/55/383831955.db2.gz FZCLJKNMPJNVRM-UTUOFQBUSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)[C@H]1C ZINC000309282664 383832056 /nfs/dbraw/zinc/83/20/56/383832056.db2.gz FZCLJKNMPJNVRM-WOPDTQHZSA-N 1 0 237.412 3.660 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000309283176 385511026 /nfs/dbraw/zinc/51/10/26/385511026.db2.gz IEQROURKIQKLIU-GXSJLCMTSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000309283179 385512322 /nfs/dbraw/zinc/51/23/22/385512322.db2.gz IEQROURKIQKLIU-KOLCDFICSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000309283182 179919223 /nfs/dbraw/zinc/91/92/23/179919223.db2.gz IEQROURKIQKLIU-MWLCHTKSSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000309283185 385511860 /nfs/dbraw/zinc/51/18/60/385511860.db2.gz IEQROURKIQKLIU-ONGXEEELSA-N 1 0 238.400 3.599 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000309284399 491147145 /nfs/dbraw/zinc/14/71/45/491147145.db2.gz HMLRHEMEYSRFGY-ABAIWWIYSA-N 1 0 213.324 3.543 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000309284403 491147118 /nfs/dbraw/zinc/14/71/18/491147118.db2.gz HMLRHEMEYSRFGY-IAQYHMDHSA-N 1 0 213.324 3.543 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000309284407 491147188 /nfs/dbraw/zinc/14/71/88/491147188.db2.gz HMLRHEMEYSRFGY-NHYWBVRUSA-N 1 0 213.324 3.543 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000309284410 491147163 /nfs/dbraw/zinc/14/71/63/491147163.db2.gz HMLRHEMEYSRFGY-XHDPSFHLSA-N 1 0 213.324 3.543 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309285720 534060290 /nfs/dbraw/zinc/06/02/90/534060290.db2.gz UTMZOUBBJKKAGK-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309285723 383835528 /nfs/dbraw/zinc/83/55/28/383835528.db2.gz UTMZOUBBJKKAGK-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309285727 383832278 /nfs/dbraw/zinc/83/22/78/383832278.db2.gz UTMZOUBBJKKAGK-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309285730 383833242 /nfs/dbraw/zinc/83/32/42/383833242.db2.gz UTMZOUBBJKKAGK-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309290029 527743015 /nfs/dbraw/zinc/74/30/15/527743015.db2.gz JBYKQMGMZONPMR-DOMZBBRYSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309290031 527742220 /nfs/dbraw/zinc/74/22/20/527742220.db2.gz JBYKQMGMZONPMR-IUODEOHRSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309290033 383834118 /nfs/dbraw/zinc/83/41/18/383834118.db2.gz JBYKQMGMZONPMR-SWLSCSKDSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309290035 383832832 /nfs/dbraw/zinc/83/28/32/383832832.db2.gz JBYKQMGMZONPMR-WFASDCNBSA-N 1 0 217.356 3.871 20 0 BHADRO C([NH2+][C@H]1CCCCC12CCCC2)C1CCC1 ZINC000309291761 322901014 /nfs/dbraw/zinc/90/10/14/322901014.db2.gz VYAKMCGMFVDGIZ-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C([NH2+][C@@H]1CCCCC12CCCC2)C1CCC1 ZINC000309291762 322901000 /nfs/dbraw/zinc/90/10/00/322901000.db2.gz VYAKMCGMFVDGIZ-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)COCC ZINC000309295945 633886756 /nfs/dbraw/zinc/88/67/56/633886756.db2.gz KYPSJASMJKMGTH-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)COCC ZINC000309295949 632901774 /nfs/dbraw/zinc/90/17/74/632901774.db2.gz KYPSJASMJKMGTH-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309297602 383862671 /nfs/dbraw/zinc/86/26/71/383862671.db2.gz LEPSQGSSURLMEP-GXTWGEPZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309297605 229569660 /nfs/dbraw/zinc/56/96/60/229569660.db2.gz LEPSQGSSURLMEP-JSGCOSHPSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309297608 229569697 /nfs/dbraw/zinc/56/96/97/229569697.db2.gz LEPSQGSSURLMEP-OCCSQVGLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309297610 383862614 /nfs/dbraw/zinc/86/26/14/383862614.db2.gz LEPSQGSSURLMEP-TZMCWYRMSA-N 1 0 217.356 3.834 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000309299407 259312159 /nfs/dbraw/zinc/31/21/59/259312159.db2.gz LOWMGJVPWWJLAT-HUBLWGQQSA-N 1 0 217.356 3.698 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000309299409 259312215 /nfs/dbraw/zinc/31/22/15/259312215.db2.gz LOWMGJVPWWJLAT-SLEUVZQESA-N 1 0 217.356 3.698 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000309299412 259312343 /nfs/dbraw/zinc/31/23/43/259312343.db2.gz LOWMGJVPWWJLAT-TYNCELHUSA-N 1 0 217.356 3.698 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000309299414 259312126 /nfs/dbraw/zinc/31/21/26/259312126.db2.gz LOWMGJVPWWJLAT-XUJVJEKNSA-N 1 0 217.356 3.698 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1ccccc1F ZINC000309299490 385515804 /nfs/dbraw/zinc/51/58/04/385515804.db2.gz XYEYZSPEIJFEBQ-CYBMUJFWSA-N 1 0 227.298 3.616 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1ccccc1F ZINC000309299763 385518452 /nfs/dbraw/zinc/51/84/52/385518452.db2.gz XYEYZSPEIJFEBQ-ZDUSSCGKSA-N 1 0 227.298 3.616 20 0 BHADRO FCCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000309299774 180926983 /nfs/dbraw/zinc/92/69/83/180926983.db2.gz XYKAJFHZWLVZOO-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO FCCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000309299778 180928379 /nfs/dbraw/zinc/92/83/79/180928379.db2.gz XYKAJFHZWLVZOO-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO CC1CC([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000309303665 259312188 /nfs/dbraw/zinc/31/21/88/259312188.db2.gz ZEIICVXPRPKWJY-JXQTWKCFSA-N 1 0 221.388 3.878 20 0 BHADRO CC1CC([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000309303666 259312186 /nfs/dbraw/zinc/31/21/86/259312186.db2.gz ZEIICVXPRPKWJY-RUXDESIVSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)s1 ZINC000309304651 491147262 /nfs/dbraw/zinc/14/72/62/491147262.db2.gz ALCVAXBFLXCNTL-QJPTWQEYSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)s1 ZINC000309304654 491147210 /nfs/dbraw/zinc/14/72/10/491147210.db2.gz ALCVAXBFLXCNTL-SDDRHHMPSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)s1 ZINC000309304656 491147220 /nfs/dbraw/zinc/14/72/20/491147220.db2.gz ALCVAXBFLXCNTL-SRVKXCTJSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)s1 ZINC000309304658 491147273 /nfs/dbraw/zinc/14/72/73/491147273.db2.gz ALCVAXBFLXCNTL-TUAOUCFPSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cc(C[NH2+]CC(C2CC2)C2CC2)cs1 ZINC000309305104 323341374 /nfs/dbraw/zinc/34/13/74/323341374.db2.gz MWXGCLORTXFNBC-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccnc1Cl)C(C)(C)C ZINC000309305171 632917272 /nfs/dbraw/zinc/91/72/72/632917272.db2.gz AMSHVHOGMZDHDX-JTQLQIEISA-N 1 0 240.778 3.507 20 0 BHADRO C[C@H](C[NH2+]Cc1cccnc1Cl)C(C)(C)C ZINC000309305172 632917093 /nfs/dbraw/zinc/91/70/93/632917093.db2.gz AMSHVHOGMZDHDX-SNVBAGLBSA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309305243 491147237 /nfs/dbraw/zinc/14/72/37/491147237.db2.gz AORAZJBOBWCIAF-NEPJUHHUSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309305245 491147254 /nfs/dbraw/zinc/14/72/54/491147254.db2.gz AORAZJBOBWCIAF-NWDGAFQWSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309305247 491147275 /nfs/dbraw/zinc/14/72/75/491147275.db2.gz AORAZJBOBWCIAF-RYUDHWBXSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309305249 491147234 /nfs/dbraw/zinc/14/72/34/491147234.db2.gz AORAZJBOBWCIAF-VXGBXAGGSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000309305714 256524366 /nfs/dbraw/zinc/52/43/66/256524366.db2.gz AQNZQXYYIJGQAZ-GFCCVEGCSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000309305716 383866749 /nfs/dbraw/zinc/86/67/49/383866749.db2.gz AQNZQXYYIJGQAZ-LBPRGKRZSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H](NC1CC(C(C)C)C1)C(F)(F)F ZINC000309305720 383866167 /nfs/dbraw/zinc/86/61/67/383866167.db2.gz AQPHPAFAKXQUQT-ILDUYXDCSA-N 1 0 237.309 3.598 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1ccc(F)cc1 ZINC000309306505 397856942 /nfs/dbraw/zinc/85/69/42/397856942.db2.gz ZTXIAMSXWAMDRD-CYBMUJFWSA-N 1 0 227.298 3.616 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1ccc(F)cc1 ZINC000309306507 397856983 /nfs/dbraw/zinc/85/69/83/397856983.db2.gz ZTXIAMSXWAMDRD-ZDUSSCGKSA-N 1 0 227.298 3.616 20 0 BHADRO Cc1occc1C[NH2+]CC(C(C)C)C(C)C ZINC000309306869 256524465 /nfs/dbraw/zinc/52/44/65/256524465.db2.gz AZCJPMYCNYALLQ-UHFFFAOYSA-N 1 0 223.360 3.606 20 0 BHADRO CCC[N@@H+](Cc1cccnc1Cl)CC(C)C ZINC000309307197 632918206 /nfs/dbraw/zinc/91/82/06/632918206.db2.gz ZNDYZDNUWCBZOX-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000309307696 491147319 /nfs/dbraw/zinc/14/73/19/491147319.db2.gz BEDUUSVEXIDHBE-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000309307697 491147324 /nfs/dbraw/zinc/14/73/24/491147324.db2.gz BEDUUSVEXIDHBE-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000309307698 491147349 /nfs/dbraw/zinc/14/73/49/491147349.db2.gz BEDUUSVEXIDHBE-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309307733 256524506 /nfs/dbraw/zinc/52/45/06/256524506.db2.gz BFSHAUZBWJYGIZ-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309307734 383870173 /nfs/dbraw/zinc/87/01/73/383870173.db2.gz BFSHAUZBWJYGIZ-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309308350 491147350 /nfs/dbraw/zinc/14/73/50/491147350.db2.gz BHYYZEMIJPKKPZ-DOMZBBRYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000309308351 491147339 /nfs/dbraw/zinc/14/73/39/491147339.db2.gz BHYYZEMIJPKKPZ-IUODEOHRSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309308352 491147337 /nfs/dbraw/zinc/14/73/37/491147337.db2.gz BHYYZEMIJPKKPZ-SWLSCSKDSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309308353 491147325 /nfs/dbraw/zinc/14/73/25/491147325.db2.gz BHYYZEMIJPKKPZ-WFASDCNBSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000309309036 383870144 /nfs/dbraw/zinc/87/01/44/383870144.db2.gz BMGGNEQWXHQTHX-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO C1CC1[C@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000309309050 711696849 /nfs/dbraw/zinc/69/68/49/711696849.db2.gz BMKXDTPMGZVZII-CABCVRRESA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000309309052 631995982 /nfs/dbraw/zinc/99/59/82/631995982.db2.gz BMKXDTPMGZVZII-GJZGRUSLSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000309309054 632918242 /nfs/dbraw/zinc/91/82/42/632918242.db2.gz BMKXDTPMGZVZII-HUUCEWRRSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC1[C@@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000309309057 711696890 /nfs/dbraw/zinc/69/68/90/711696890.db2.gz BMKXDTPMGZVZII-LSDHHAIUSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309309623 256524536 /nfs/dbraw/zinc/52/45/36/256524536.db2.gz BQJUFMKQNJRLGY-JXQTWKCFSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCC23CCCC3)C1 ZINC000309309625 256524291 /nfs/dbraw/zinc/52/42/91/256524291.db2.gz BQJUFMKQNJRLGY-RUXDESIVSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc(Cl)c1F ZINC000309310187 383868236 /nfs/dbraw/zinc/86/82/36/383868236.db2.gz BRYIBBDXHDJILI-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@@H]2CCC2(C)C)s1 ZINC000309310861 385528644 /nfs/dbraw/zinc/52/86/44/385528644.db2.gz BVFQHXUPEYQNOU-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@H]2CCC2(C)C)s1 ZINC000309310864 385529444 /nfs/dbraw/zinc/52/94/44/385529444.db2.gz BVFQHXUPEYQNOU-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]C[C@H]1CC=CCC1 ZINC000309310981 491146675 /nfs/dbraw/zinc/14/66/75/491146675.db2.gz BXSPJJHHHFVHNH-JTQLQIEISA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]C[C@@H]1CC=CCC1 ZINC000309310982 491146697 /nfs/dbraw/zinc/14/66/97/491146697.db2.gz BXSPJJHHHFVHNH-SNVBAGLBSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309311429 383870896 /nfs/dbraw/zinc/87/08/96/383870896.db2.gz BZDNCTQHYKWARQ-NEPJUHHUSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309311430 256524421 /nfs/dbraw/zinc/52/44/21/256524421.db2.gz BZDNCTQHYKWARQ-NWDGAFQWSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309311431 383870838 /nfs/dbraw/zinc/87/08/38/383870838.db2.gz BZDNCTQHYKWARQ-RYUDHWBXSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309311432 256524443 /nfs/dbraw/zinc/52/44/43/256524443.db2.gz BZDNCTQHYKWARQ-VXGBXAGGSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309311973 256524286 /nfs/dbraw/zinc/52/42/86/256524286.db2.gz CBHNIQMAPWZDLX-AWEZNQCLSA-N 1 0 219.372 3.501 20 0 BHADRO CC(C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309311975 256524325 /nfs/dbraw/zinc/52/43/25/256524325.db2.gz CBHNIQMAPWZDLX-CQSZACIVSA-N 1 0 219.372 3.501 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309312140 383868180 /nfs/dbraw/zinc/86/81/80/383868180.db2.gz CFKVOOBMRUNRJX-CHWSQXEVSA-N 1 0 241.444 3.853 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309312142 383869903 /nfs/dbraw/zinc/86/99/03/383869903.db2.gz CFKVOOBMRUNRJX-OLZOCXBDSA-N 1 0 241.444 3.853 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309312144 383870267 /nfs/dbraw/zinc/87/02/67/383870267.db2.gz CFKVOOBMRUNRJX-QWHCGFSZSA-N 1 0 241.444 3.853 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309312146 383868408 /nfs/dbraw/zinc/86/84/08/383868408.db2.gz CFKVOOBMRUNRJX-STQMWFEESA-N 1 0 241.444 3.853 20 0 BHADRO CC(C)C([NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000309312477 491146692 /nfs/dbraw/zinc/14/66/92/491146692.db2.gz CGQSBWDJYVPHMC-GFCCVEGCSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)C([NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000309312478 491146705 /nfs/dbraw/zinc/14/67/05/491146705.db2.gz CGQSBWDJYVPHMC-LBPRGKRZSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000309313017 383869415 /nfs/dbraw/zinc/86/94/15/383869415.db2.gz CIODTNWQVFWIGH-CHWSQXEVSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000309313020 383870189 /nfs/dbraw/zinc/87/01/89/383870189.db2.gz CIODTNWQVFWIGH-OLZOCXBDSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000309313022 527999591 /nfs/dbraw/zinc/99/95/91/527999591.db2.gz CIODTNWQVFWIGH-QWHCGFSZSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000309313025 383869843 /nfs/dbraw/zinc/86/98/43/383869843.db2.gz CIODTNWQVFWIGH-STQMWFEESA-N 1 0 229.408 3.604 20 0 BHADRO c1cc(C2CCCC2)ccc1C[NH2+]C1CC1 ZINC000309313119 229570004 /nfs/dbraw/zinc/57/00/04/229570004.db2.gz CJJUPPDSWYYVIS-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CC(C)(C[NH2+]CC1CCCCC1)C(F)(F)F ZINC000309313886 323343466 /nfs/dbraw/zinc/34/34/66/323343466.db2.gz CLPJWBGHHXDVDN-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO CC(C)([NH2+]C[C@H]1CCCC(C)(C)C1)C(F)F ZINC000309314457 491146752 /nfs/dbraw/zinc/14/67/52/491146752.db2.gz CSTWSSNMGWSVJD-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)([NH2+]C[C@@H]1CCCC(C)(C)C1)C(F)F ZINC000309314459 491146771 /nfs/dbraw/zinc/14/67/71/491146771.db2.gz CSTWSSNMGWSVJD-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000309314852 385527037 /nfs/dbraw/zinc/52/70/37/385527037.db2.gz PASQNHTTXSMWQB-CFVMTHIKSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000309314853 385527284 /nfs/dbraw/zinc/52/72/84/385527284.db2.gz PASQNHTTXSMWQB-QEJZJMRPSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000309314854 385526757 /nfs/dbraw/zinc/52/67/57/385526757.db2.gz PASQNHTTXSMWQB-SNPRPXQTSA-N 1 0 217.356 3.916 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000309314855 169512503 /nfs/dbraw/zinc/51/25/03/169512503.db2.gz PASQNHTTXSMWQB-YUELXQCFSA-N 1 0 217.356 3.916 20 0 BHADRO Cc1ccc(C[NH2+]CCSC(C)C)c(C)c1 ZINC000309315820 383869720 /nfs/dbraw/zinc/86/97/20/383869720.db2.gz GBANWIZZAJVBMD-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309315972 383870544 /nfs/dbraw/zinc/87/05/44/383870544.db2.gz DBXGMYXTABSCND-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309315973 383868905 /nfs/dbraw/zinc/86/89/05/383868905.db2.gz DBXGMYXTABSCND-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309315974 383870005 /nfs/dbraw/zinc/87/00/05/383870005.db2.gz DBXGMYXTABSCND-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309315975 256524283 /nfs/dbraw/zinc/52/42/83/256524283.db2.gz DBXGMYXTABSCND-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C(C[NH2+]CC1(C(F)F)CC1)C(C)C ZINC000309316946 383870562 /nfs/dbraw/zinc/87/05/62/383870562.db2.gz DHKUGZHTCANFIT-UHFFFAOYSA-N 1 0 233.346 3.550 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CC1CCCC1 ZINC000309317607 491146760 /nfs/dbraw/zinc/14/67/60/491146760.db2.gz DJBAPTLYVZRTKW-LLVKDONJSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CC1CCCC1 ZINC000309317608 491146764 /nfs/dbraw/zinc/14/67/64/491146764.db2.gz DJBAPTLYVZRTKW-NSHDSACASA-N 1 0 221.344 3.646 20 0 BHADRO CC(C)(C)CC[NH2+]CC1CCC(F)(F)CC1 ZINC000309317699 383876386 /nfs/dbraw/zinc/87/63/86/383876386.db2.gz DNMGJRBFLLUTAL-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000309318483 383876719 /nfs/dbraw/zinc/87/67/19/383876719.db2.gz DPQLPYDCDIYSCH-HUUCEWRRSA-N 1 0 217.356 3.869 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)cc(Cl)n1 ZINC000309319242 632928395 /nfs/dbraw/zinc/92/83/95/632928395.db2.gz DVCJGOZVXIPBJT-UHFFFAOYSA-N 1 0 240.778 3.568 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCSCC1 ZINC000309319835 383870313 /nfs/dbraw/zinc/87/03/13/383870313.db2.gz DWNAUXCMSZVXBL-CHWSQXEVSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000309319836 526673859 /nfs/dbraw/zinc/67/38/59/526673859.db2.gz DWNAUXCMSZVXBL-OLZOCXBDSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CCSCC1 ZINC000309319837 526733028 /nfs/dbraw/zinc/73/30/28/526733028.db2.gz DWNAUXCMSZVXBL-QWHCGFSZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000309319838 383869866 /nfs/dbraw/zinc/86/98/66/383869866.db2.gz DWNAUXCMSZVXBL-STQMWFEESA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309319876 528266283 /nfs/dbraw/zinc/26/62/83/528266283.db2.gz DXPHZOFDGJOWBB-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309319878 383869540 /nfs/dbraw/zinc/86/95/40/383869540.db2.gz DXPHZOFDGJOWBB-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000309321715 383880096 /nfs/dbraw/zinc/88/00/96/383880096.db2.gz HFNRVTJVVGZMMD-GUIRCDHDSA-N 1 0 217.356 3.690 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000309321717 383880781 /nfs/dbraw/zinc/88/07/81/383880781.db2.gz HFNRVTJVVGZMMD-PWNZVWSESA-N 1 0 217.356 3.690 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000309321718 383880201 /nfs/dbraw/zinc/88/02/01/383880201.db2.gz HFNRVTJVVGZMMD-SFDCQRBFSA-N 1 0 217.356 3.690 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000309321719 383880897 /nfs/dbraw/zinc/88/08/97/383880897.db2.gz HFNRVTJVVGZMMD-UKTARXLSSA-N 1 0 217.356 3.690 20 0 BHADRO CC(C)[C@H](N[C@@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000309322222 491146916 /nfs/dbraw/zinc/14/69/16/491146916.db2.gz FKGGWYLNNYESPW-AXFHLTTASA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](N[C@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000309322227 491146885 /nfs/dbraw/zinc/14/68/85/491146885.db2.gz FKGGWYLNNYESPW-DCAQKATOSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](N[C@@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000309322230 491146878 /nfs/dbraw/zinc/14/68/78/491146878.db2.gz FKGGWYLNNYESPW-MXWKQRLJSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](N[C@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000309322232 491146913 /nfs/dbraw/zinc/14/69/13/491146913.db2.gz FKGGWYLNNYESPW-VWYCJHECSA-N 1 0 237.309 3.598 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CC(C(C)C)C2)cs1 ZINC000309323408 534599140 /nfs/dbraw/zinc/59/91/40/534599140.db2.gz FTSNAIYBJNIDJM-GCVQQVDUSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CC(C(C)C)C2)cs1 ZINC000309323638 398020837 /nfs/dbraw/zinc/02/08/37/398020837.db2.gz FTSNAIYBJNIDJM-OIKLOGQESA-N 1 0 238.400 3.537 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309323677 398020648 /nfs/dbraw/zinc/02/06/48/398020648.db2.gz FVTVVONKZNZARM-UHFFFAOYSA-N 1 0 249.301 3.823 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@H](C)C1CC1 ZINC000309323708 632003786 /nfs/dbraw/zinc/00/37/86/632003786.db2.gz FXBYEYPMYVXAPI-GFCCVEGCSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@@H](C)C1CC1 ZINC000309323709 632004305 /nfs/dbraw/zinc/00/43/05/632004305.db2.gz FXBYEYPMYVXAPI-LBPRGKRZSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1cnc(C[NH2+]C(C)(C)C(C)C)s1 ZINC000309324297 350319567 /nfs/dbraw/zinc/31/95/67/350319567.db2.gz GAHSEBDBQLNLQW-UHFFFAOYSA-N 1 0 240.416 3.791 20 0 BHADRO CC(C)C1CC([NH2+]CCCc2cccs2)C1 ZINC000309324870 323342110 /nfs/dbraw/zinc/34/21/10/323342110.db2.gz GEMKLOJFYDPUBH-UHFFFAOYSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000309324879 528460871 /nfs/dbraw/zinc/46/08/71/528460871.db2.gz GFBIWEREDBWFLW-JTQLQIEISA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000309324881 528252227 /nfs/dbraw/zinc/25/22/27/528252227.db2.gz GFBIWEREDBWFLW-SNVBAGLBSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CS1 ZINC000309325398 398020555 /nfs/dbraw/zinc/02/05/55/398020555.db2.gz GHUPGCRAMARCCN-AGIUHOORSA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CS1 ZINC000309325399 398020997 /nfs/dbraw/zinc/02/09/97/398020997.db2.gz GHUPGCRAMARCCN-AVGNSLFASA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CS1 ZINC000309325401 526679561 /nfs/dbraw/zinc/67/95/61/526679561.db2.gz GHUPGCRAMARCCN-UPJWGTAASA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CS1 ZINC000309325402 398020920 /nfs/dbraw/zinc/02/09/20/398020920.db2.gz GHUPGCRAMARCCN-XQQFMLRXSA-N 1 0 239.428 3.605 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000309325544 398021004 /nfs/dbraw/zinc/02/10/04/398021004.db2.gz RELOBEMAVUGSSI-CYBMUJFWSA-N 1 0 237.774 3.661 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000309325545 398020366 /nfs/dbraw/zinc/02/03/66/398020366.db2.gz RELOBEMAVUGSSI-ZDUSSCGKSA-N 1 0 237.774 3.661 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCSC(C)C ZINC000309325758 528109926 /nfs/dbraw/zinc/10/99/26/528109926.db2.gz GKWIJFLLZAPPHW-KBPBESRZSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCSC(C)C ZINC000309325759 398020660 /nfs/dbraw/zinc/02/06/60/398020660.db2.gz GKWIJFLLZAPPHW-KGLIPLIRSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCSC(C)C ZINC000309325760 398020855 /nfs/dbraw/zinc/02/08/55/398020855.db2.gz GKWIJFLLZAPPHW-UONOGXRCSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCSC(C)C ZINC000309325761 398020976 /nfs/dbraw/zinc/02/09/76/398020976.db2.gz GKWIJFLLZAPPHW-ZIAGYGMSSA-N 1 0 241.444 3.710 20 0 BHADRO CC(C)c1cccc(C[NH2+]C2CCCC2)c1 ZINC000309325772 398020772 /nfs/dbraw/zinc/02/07/72/398020772.db2.gz GLNAIKXMOWUQEB-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000309326026 529584599 /nfs/dbraw/zinc/58/45/99/529584599.db2.gz RIJJAMPHHAVBPH-AWEZNQCLSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000309326029 383880442 /nfs/dbraw/zinc/88/04/42/383880442.db2.gz RIJJAMPHHAVBPH-CQSZACIVSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)c2ccccc21 ZINC000309326358 383880122 /nfs/dbraw/zinc/88/01/22/383880122.db2.gz RCTHEFCJRUSBDO-BXUZGUMPSA-N 1 0 217.356 3.871 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C)c2ccccc21 ZINC000309326359 383880150 /nfs/dbraw/zinc/88/01/50/383880150.db2.gz RCTHEFCJRUSBDO-FZMZJTMJSA-N 1 0 217.356 3.871 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)c2ccccc21 ZINC000309326360 383879417 /nfs/dbraw/zinc/87/94/17/383879417.db2.gz RCTHEFCJRUSBDO-RISCZKNCSA-N 1 0 217.356 3.871 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)c2ccccc21 ZINC000309326361 383880538 /nfs/dbraw/zinc/88/05/38/383880538.db2.gz RCTHEFCJRUSBDO-SMDDNHRTSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)[NH2+][C@@H]1c2ccccc2CCC[C@H]1C ZINC000309327693 383880061 /nfs/dbraw/zinc/88/00/61/383880061.db2.gz GYLZTROIGPRZIS-DOMZBBRYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[NH2+][C@H]1c2ccccc2CCC[C@H]1C ZINC000309327694 527759750 /nfs/dbraw/zinc/75/97/50/527759750.db2.gz GYLZTROIGPRZIS-IUODEOHRSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[NH2+][C@H]1c2ccccc2CCC[C@@H]1C ZINC000309327695 527760278 /nfs/dbraw/zinc/76/02/78/527760278.db2.gz GYLZTROIGPRZIS-SWLSCSKDSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[NH2+][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000309327696 383881898 /nfs/dbraw/zinc/88/18/98/383881898.db2.gz GYLZTROIGPRZIS-WFASDCNBSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C1(C(F)F)CCCC1 ZINC000309327748 491147090 /nfs/dbraw/zinc/14/70/90/491147090.db2.gz HAQXHRYWBVJRHQ-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C1(C(F)F)CCCC1 ZINC000309328223 491147093 /nfs/dbraw/zinc/14/70/93/491147093.db2.gz HAQXHRYWBVJRHQ-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)c1ncc(C[NH2+]CCC2(C)CC2)s1 ZINC000309328268 188345279 /nfs/dbraw/zinc/34/52/79/188345279.db2.gz HBOLZCCWTXJPFO-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO C([NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCCC1 ZINC000309328961 383881266 /nfs/dbraw/zinc/88/12/66/383881266.db2.gz HHKZPKZRPREJQY-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCCC1 ZINC000309328962 383880752 /nfs/dbraw/zinc/88/07/52/383880752.db2.gz HHKZPKZRPREJQY-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCCC1 ZINC000309328963 527490570 /nfs/dbraw/zinc/49/05/70/527490570.db2.gz HHKZPKZRPREJQY-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCCC1 ZINC000309328964 527491088 /nfs/dbraw/zinc/49/10/88/527491088.db2.gz HHKZPKZRPREJQY-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(F)cc1 ZINC000309329225 383883705 /nfs/dbraw/zinc/88/37/05/383883705.db2.gz ITKRHPVDGIBJEC-UHFFFAOYSA-N 1 0 223.335 3.740 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(C)ccc1C ZINC000309329538 383884134 /nfs/dbraw/zinc/88/41/34/383884134.db2.gz HIYGLOLRAWAHTI-UHFFFAOYSA-N 1 0 217.356 3.749 20 0 BHADRO CC(C)([NH2+]CC1CCC1)c1ccc(Cl)cc1 ZINC000309330181 527290773 /nfs/dbraw/zinc/29/07/73/527290773.db2.gz HOWBVHGSPHLILY-UHFFFAOYSA-N 1 0 237.774 3.965 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000309331226 167331716 /nfs/dbraw/zinc/33/17/16/167331716.db2.gz HTVBQZNXEIPHJG-CHWSQXEVSA-N 1 0 247.423 3.636 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000309331227 167332478 /nfs/dbraw/zinc/33/24/78/167332478.db2.gz HTVBQZNXEIPHJG-OLZOCXBDSA-N 1 0 247.423 3.636 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000309331228 167331556 /nfs/dbraw/zinc/33/15/56/167331556.db2.gz HTVBQZNXEIPHJG-QWHCGFSZSA-N 1 0 247.423 3.636 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000309331229 167334726 /nfs/dbraw/zinc/33/47/26/167334726.db2.gz HTVBQZNXEIPHJG-STQMWFEESA-N 1 0 247.423 3.636 20 0 BHADRO FC1(F)CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000309331550 383884833 /nfs/dbraw/zinc/88/48/33/383884833.db2.gz SLYLYXBZPPFYLX-GFCCVEGCSA-N 1 0 231.330 3.688 20 0 BHADRO FC1(F)CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000309331553 383884806 /nfs/dbraw/zinc/88/48/06/383884806.db2.gz SLYLYXBZPPFYLX-LBPRGKRZSA-N 1 0 231.330 3.688 20 0 BHADRO CC(C)=CCC[NH2+]Cc1c(F)cccc1Cl ZINC000309331896 383884573 /nfs/dbraw/zinc/88/45/73/383884573.db2.gz HYYITQIWLVRSHG-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC(C)c1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000309333052 323343024 /nfs/dbraw/zinc/34/30/24/323343024.db2.gz IHSRLQKZBZMEQA-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC2(C)C)c1C ZINC000309334201 229571686 /nfs/dbraw/zinc/57/16/86/229571686.db2.gz TYCFJKYJOKYDBW-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1C ZINC000309334202 383879408 /nfs/dbraw/zinc/87/94/08/383879408.db2.gz TYCFJKYJOKYDBW-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(Cl)cn1 ZINC000309334338 383880263 /nfs/dbraw/zinc/88/02/63/383880263.db2.gz IQLXVGVVEBTPDX-LLVKDONJSA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(Cl)cn1 ZINC000309334339 383881085 /nfs/dbraw/zinc/88/10/85/383881085.db2.gz IQLXVGVVEBTPDX-NSHDSACASA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CS1 ZINC000309334551 383881546 /nfs/dbraw/zinc/88/15/46/383881546.db2.gz AGVATRDBOPRNQH-AGIUHOORSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)CS1 ZINC000309334552 528787088 /nfs/dbraw/zinc/78/70/88/528787088.db2.gz AGVATRDBOPRNQH-AVGNSLFASA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CS1 ZINC000309334553 383880691 /nfs/dbraw/zinc/88/06/91/383880691.db2.gz AGVATRDBOPRNQH-UPJWGTAASA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CS1 ZINC000309334554 383881834 /nfs/dbraw/zinc/88/18/34/383881834.db2.gz AGVATRDBOPRNQH-XQQFMLRXSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CS1 ZINC000309334583 383880851 /nfs/dbraw/zinc/88/08/51/383880851.db2.gz AHWLXGDYNSPVGK-KBPBESRZSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CS1 ZINC000309334584 383880700 /nfs/dbraw/zinc/88/07/00/383880700.db2.gz AHWLXGDYNSPVGK-KGLIPLIRSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]C2CCCCCC2)CS1 ZINC000309334585 383882117 /nfs/dbraw/zinc/88/21/17/383882117.db2.gz AHWLXGDYNSPVGK-UONOGXRCSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCCCCC2)CS1 ZINC000309334586 383880177 /nfs/dbraw/zinc/88/01/77/383880177.db2.gz AHWLXGDYNSPVGK-ZIAGYGMSSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000309334661 383880195 /nfs/dbraw/zinc/88/01/95/383880195.db2.gz AIILFICJLWHLHX-JTQLQIEISA-N 1 0 234.368 3.603 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000309334666 528067321 /nfs/dbraw/zinc/06/73/21/528067321.db2.gz AIILFICJLWHLHX-SNVBAGLBSA-N 1 0 234.368 3.603 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC(C)C)C2CCC2)o1 ZINC000309334739 385534078 /nfs/dbraw/zinc/53/40/78/385534078.db2.gz AIYFJUZTASVBCH-AWEZNQCLSA-N 1 0 221.344 3.675 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC(C)C)C2CCC2)o1 ZINC000309334743 178910860 /nfs/dbraw/zinc/91/08/60/178910860.db2.gz AIYFJUZTASVBCH-CQSZACIVSA-N 1 0 221.344 3.675 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CCC2CC2)CS1 ZINC000309335241 383880770 /nfs/dbraw/zinc/88/07/70/383880770.db2.gz AMACLHBUWLFTSL-BNOWGMLFSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CCC2CC2)CS1 ZINC000309335243 383882036 /nfs/dbraw/zinc/88/20/36/383882036.db2.gz AMACLHBUWLFTSL-KWCYVHTRSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CCC2CC2)CS1 ZINC000309335245 383882050 /nfs/dbraw/zinc/88/20/50/383882050.db2.gz AMACLHBUWLFTSL-MRVWCRGKSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CCC2CC2)CS1 ZINC000309335247 383881446 /nfs/dbraw/zinc/88/14/46/383881446.db2.gz AMACLHBUWLFTSL-XBFCOCLRSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309336512 383887498 /nfs/dbraw/zinc/88/74/98/383887498.db2.gz JDWDRQDPGZQWOA-CRWXNKLISA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309336515 383887048 /nfs/dbraw/zinc/88/70/48/383887048.db2.gz JDWDRQDPGZQWOA-MQYQWHSLSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309336521 383886805 /nfs/dbraw/zinc/88/68/05/383886805.db2.gz JDWDRQDPGZQWOA-RFGFWPKPSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000309336525 528652773 /nfs/dbraw/zinc/65/27/73/528652773.db2.gz JDWDRQDPGZQWOA-XUXIUFHCSA-N 1 0 227.367 3.681 20 0 BHADRO c1csc([C@H]([NH2+][C@H]2C=CCCC2)C2CC2)c1 ZINC000309337176 383884794 /nfs/dbraw/zinc/88/47/94/383884794.db2.gz JHFRIFJPQSXIRV-GXTWGEPZSA-N 1 0 233.380 3.898 20 0 BHADRO c1csc([C@@H]([NH2+][C@H]2C=CCCC2)C2CC2)c1 ZINC000309337178 383883722 /nfs/dbraw/zinc/88/37/22/383883722.db2.gz JHFRIFJPQSXIRV-JSGCOSHPSA-N 1 0 233.380 3.898 20 0 BHADRO c1csc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CC2)c1 ZINC000309337180 383883922 /nfs/dbraw/zinc/88/39/22/383883922.db2.gz JHFRIFJPQSXIRV-OCCSQVGLSA-N 1 0 233.380 3.898 20 0 BHADRO c1csc([C@H]([NH2+][C@@H]2C=CCCC2)C2CC2)c1 ZINC000309337182 229572154 /nfs/dbraw/zinc/57/21/54/229572154.db2.gz JHFRIFJPQSXIRV-TZMCWYRMSA-N 1 0 233.380 3.898 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000309337394 383884235 /nfs/dbraw/zinc/88/42/35/383884235.db2.gz UOCYHHNLCYNPGS-GWCFXTLKSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000309337397 383884333 /nfs/dbraw/zinc/88/43/33/383884333.db2.gz UOCYHHNLCYNPGS-GXFFZTMASA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000309337400 383884817 /nfs/dbraw/zinc/88/48/17/383884817.db2.gz UOCYHHNLCYNPGS-MFKMUULPSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000309337403 383883861 /nfs/dbraw/zinc/88/38/61/383883861.db2.gz UOCYHHNLCYNPGS-ZWNOBZJWSA-N 1 0 231.364 3.789 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CC1CCCC1 ZINC000309337794 383882602 /nfs/dbraw/zinc/88/26/02/383882602.db2.gz JKTUMQATZAAWOD-GFCCVEGCSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CC1CCCC1 ZINC000309337796 383884458 /nfs/dbraw/zinc/88/44/58/383884458.db2.gz JKTUMQATZAAWOD-LBPRGKRZSA-N 1 0 221.344 3.646 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC(C)(C)COC ZINC000309337967 632003090 /nfs/dbraw/zinc/00/30/90/632003090.db2.gz WADGAYUMYLVXCI-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC(C)(C)COC ZINC000309337968 632004372 /nfs/dbraw/zinc/00/43/72/632004372.db2.gz WADGAYUMYLVXCI-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000309338092 527406806 /nfs/dbraw/zinc/40/68/06/527406806.db2.gz JLFYNJKYLIXTJU-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C)cc1 ZINC000309338096 385538002 /nfs/dbraw/zinc/53/80/02/385538002.db2.gz USVWWISOZPRKFX-AEGPPILISA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C)cc1 ZINC000309338098 171549233 /nfs/dbraw/zinc/54/92/33/171549233.db2.gz USVWWISOZPRKFX-QEJZJMRPSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C)cc1 ZINC000309338100 171549344 /nfs/dbraw/zinc/54/93/44/171549344.db2.gz USVWWISOZPRKFX-SNPRPXQTSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C)cc1 ZINC000309338103 171542363 /nfs/dbraw/zinc/54/23/63/171542363.db2.gz USVWWISOZPRKFX-VHDGCEQUSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000309338164 167381426 /nfs/dbraw/zinc/38/14/26/167381426.db2.gz JMIOCODQYLWAPQ-LLVKDONJSA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000309338168 385538218 /nfs/dbraw/zinc/53/82/18/385538218.db2.gz JMIOCODQYLWAPQ-NSHDSACASA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C1CC(C)C1 ZINC000309338672 632004497 /nfs/dbraw/zinc/00/44/97/632004497.db2.gz JQACXUPVBLFNBP-UHFFFAOYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CS1 ZINC000309339252 383883422 /nfs/dbraw/zinc/88/34/22/383883422.db2.gz JSHXOKAPSZBBQU-AAVRWANBSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CS1 ZINC000309339253 383883074 /nfs/dbraw/zinc/88/30/74/383883074.db2.gz JSHXOKAPSZBBQU-SYQHCUMBSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CS1 ZINC000309339254 383883039 /nfs/dbraw/zinc/88/30/39/383883039.db2.gz JSHXOKAPSZBBQU-XDQVBPFNSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CS1 ZINC000309339255 383884366 /nfs/dbraw/zinc/88/43/66/383884366.db2.gz JSHXOKAPSZBBQU-XUXIUFHCSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000309339291 167095960 /nfs/dbraw/zinc/09/59/60/167095960.db2.gz JUEVSKTWFGOPAG-UHFFFAOYSA-N 1 0 241.737 3.723 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000309339950 383884465 /nfs/dbraw/zinc/88/44/65/383884465.db2.gz KACMXBDQVXJJAG-UHFFFAOYSA-N 1 0 223.335 3.697 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000309339996 383884652 /nfs/dbraw/zinc/88/46/52/383884652.db2.gz VDVDLSZGNYRRNA-BYCMXARLSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000309339997 383884017 /nfs/dbraw/zinc/88/40/17/383884017.db2.gz VDVDLSZGNYRRNA-DFBGVHRSSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000309339998 383884739 /nfs/dbraw/zinc/88/47/39/383884739.db2.gz VDVDLSZGNYRRNA-KCPJHIHWSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000309339999 383884321 /nfs/dbraw/zinc/88/43/21/383884321.db2.gz VDVDLSZGNYRRNA-UGFHNGPFSA-N 1 0 215.340 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCOC(C)C ZINC000309340336 383883650 /nfs/dbraw/zinc/88/36/50/383883650.db2.gz KCVQEMRNCISVLU-AWEZNQCLSA-N 1 0 227.392 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCOC(C)C ZINC000309340338 383884360 /nfs/dbraw/zinc/88/43/60/383884360.db2.gz KCVQEMRNCISVLU-CQSZACIVSA-N 1 0 227.392 3.526 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000309340417 383882969 /nfs/dbraw/zinc/88/29/69/383882969.db2.gz KFLMIMYHNOQOPR-UHFFFAOYSA-N 1 0 221.319 3.580 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000309340736 383883610 /nfs/dbraw/zinc/88/36/10/383883610.db2.gz VGQUNQDGCRTQLB-IPYPFGDCSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000309340741 383884166 /nfs/dbraw/zinc/88/41/66/383884166.db2.gz VGQUNQDGCRTQLB-NFAWXSAZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000309340748 533943347 /nfs/dbraw/zinc/94/33/47/533943347.db2.gz VGQUNQDGCRTQLB-UMVBOHGHSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000309340753 383882947 /nfs/dbraw/zinc/88/29/47/383882947.db2.gz VGQUNQDGCRTQLB-VNHYZAJKSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)([NH2+]CCC1CC1)c1ccc(Cl)cc1 ZINC000309340761 383883316 /nfs/dbraw/zinc/88/33/16/383883316.db2.gz KGQLTQSVXPQCIW-UHFFFAOYSA-N 1 0 237.774 3.965 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000309341574 491148064 /nfs/dbraw/zinc/14/80/64/491148064.db2.gz KKZRAFFLDPOQQC-CABCVRRESA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000309341575 491148075 /nfs/dbraw/zinc/14/80/75/491148075.db2.gz KKZRAFFLDPOQQC-GJZGRUSLSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000309341577 491148040 /nfs/dbraw/zinc/14/80/40/491148040.db2.gz KKZRAFFLDPOQQC-HUUCEWRRSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000309341578 491148082 /nfs/dbraw/zinc/14/80/82/491148082.db2.gz KKZRAFFLDPOQQC-LSDHHAIUSA-N 1 0 217.356 3.519 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000309341957 528474202 /nfs/dbraw/zinc/47/42/02/528474202.db2.gz KNYLWMQKBICTTR-UNXYVOJBSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000309341960 528266050 /nfs/dbraw/zinc/26/60/50/528266050.db2.gz KNYLWMQKBICTTR-VOMCLLRMSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CC[C@@H](C)F)cs1 ZINC000309342591 385540636 /nfs/dbraw/zinc/54/06/36/385540636.db2.gz KSWAVABELICQSL-NXEZZACHSA-N 1 0 244.379 3.665 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CC[C@H](C)F)cs1 ZINC000309342593 385541062 /nfs/dbraw/zinc/54/10/62/385541062.db2.gz KSWAVABELICQSL-UWVGGRQHSA-N 1 0 244.379 3.665 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CC[C@H](C)F)cs1 ZINC000309342595 385539864 /nfs/dbraw/zinc/53/98/64/385539864.db2.gz KSWAVABELICQSL-VHSXEESVSA-N 1 0 244.379 3.665 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CC[C@@H](C)F)cs1 ZINC000309342596 385539775 /nfs/dbraw/zinc/53/97/75/385539775.db2.gz KSWAVABELICQSL-ZJUUUORDSA-N 1 0 244.379 3.665 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1ccccc1F ZINC000309343038 383894581 /nfs/dbraw/zinc/89/45/81/383894581.db2.gz KXYQMHIDWFZMNS-UHFFFAOYSA-N 1 0 223.335 3.697 20 0 BHADRO C[C@H](C[NH2+]Cc1ccco1)C1CCCCC1 ZINC000309343081 347037447 /nfs/dbraw/zinc/03/74/47/347037447.db2.gz KYNOXALEIKQQBZ-GFCCVEGCSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccco1)C1CCCCC1 ZINC000309343083 347037379 /nfs/dbraw/zinc/03/73/79/347037379.db2.gz KYNOXALEIKQQBZ-LBPRGKRZSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)C(F)(F)F ZINC000309343749 229572968 /nfs/dbraw/zinc/57/29/68/229572968.db2.gz LBUAPNJZOHAIQI-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)C(F)(F)F ZINC000309343751 383893048 /nfs/dbraw/zinc/89/30/48/383893048.db2.gz LBUAPNJZOHAIQI-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)C(F)(F)F ZINC000309343754 383892819 /nfs/dbraw/zinc/89/28/19/383892819.db2.gz LBUAPNJZOHAIQI-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)C(F)(F)F ZINC000309343756 229572796 /nfs/dbraw/zinc/57/27/96/229572796.db2.gz LBUAPNJZOHAIQI-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000309344282 491148109 /nfs/dbraw/zinc/14/81/09/491148109.db2.gz LFPZNLRHDGWYSY-CABCVRRESA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000309344284 491148133 /nfs/dbraw/zinc/14/81/33/491148133.db2.gz LFPZNLRHDGWYSY-GJZGRUSLSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000309344286 491148094 /nfs/dbraw/zinc/14/80/94/491148094.db2.gz LFPZNLRHDGWYSY-HUUCEWRRSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000309344288 491148107 /nfs/dbraw/zinc/14/81/07/491148107.db2.gz LFPZNLRHDGWYSY-LSDHHAIUSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)c(C)c1 ZINC000309344781 347039330 /nfs/dbraw/zinc/03/93/30/347039330.db2.gz LJNYPVOKMQLNPZ-UHFFFAOYSA-N 1 0 219.372 3.828 20 0 BHADRO CC(C)=CCC[NH2+]Cc1c(C)cccc1C ZINC000309344828 383892899 /nfs/dbraw/zinc/89/28/99/383892899.db2.gz LLIXMOKXJKJVIB-UHFFFAOYSA-N 1 0 217.356 3.749 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C(C)C)oc1C ZINC000309346027 383894606 /nfs/dbraw/zinc/89/46/06/383894606.db2.gz LRJFIVJEKDNMCN-NEPJUHHUSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C(C)C)oc1C ZINC000309346028 229573078 /nfs/dbraw/zinc/57/30/78/229573078.db2.gz LRJFIVJEKDNMCN-NWDGAFQWSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C(C)C)oc1C ZINC000309346029 383894084 /nfs/dbraw/zinc/89/40/84/383894084.db2.gz LRJFIVJEKDNMCN-RYUDHWBXSA-N 1 0 223.360 3.839 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)oc1C ZINC000309346030 383892939 /nfs/dbraw/zinc/89/29/39/383892939.db2.gz LRJFIVJEKDNMCN-VXGBXAGGSA-N 1 0 223.360 3.839 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000309346326 491148091 /nfs/dbraw/zinc/14/80/91/491148091.db2.gz YWOMPVKQBHVMAQ-ABAIWWIYSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000309346329 491148146 /nfs/dbraw/zinc/14/81/46/491148146.db2.gz YWOMPVKQBHVMAQ-IAQYHMDHSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000309346331 491148093 /nfs/dbraw/zinc/14/80/93/491148093.db2.gz YWOMPVKQBHVMAQ-NHYWBVRUSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000309346334 491148117 /nfs/dbraw/zinc/14/81/17/491148117.db2.gz YWOMPVKQBHVMAQ-XHDPSFHLSA-N 1 0 215.340 3.625 20 0 BHADRO CC(C)([NH2+]CC1CC1)c1cccc(Cl)c1F ZINC000309346510 383894644 /nfs/dbraw/zinc/89/46/44/383894644.db2.gz LTCRXBUIWFDTCL-UHFFFAOYSA-N 1 0 241.737 3.714 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)c2ccccc21 ZINC000309347034 385545958 /nfs/dbraw/zinc/54/59/58/385545958.db2.gz ZFVLYXWISBPLQA-DDTOSNHZSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)c2ccccc21 ZINC000309347035 176379605 /nfs/dbraw/zinc/37/96/05/176379605.db2.gz ZFVLYXWISBPLQA-HONMWMINSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)c2ccccc21 ZINC000309347036 176379157 /nfs/dbraw/zinc/37/91/57/176379157.db2.gz ZFVLYXWISBPLQA-LERXQTSPSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)c2ccccc21 ZINC000309347037 385546285 /nfs/dbraw/zinc/54/62/85/385546285.db2.gz ZFVLYXWISBPLQA-SWHYSGLUSA-N 1 0 215.340 3.623 20 0 BHADRO CC(C)=CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309347049 527446863 /nfs/dbraw/zinc/44/68/63/527446863.db2.gz ZGHIFRKCIOAESP-DOMZBBRYSA-N 1 0 215.340 3.791 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309347050 383893134 /nfs/dbraw/zinc/89/31/34/383893134.db2.gz ZGHIFRKCIOAESP-IUODEOHRSA-N 1 0 215.340 3.791 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309347051 383894717 /nfs/dbraw/zinc/89/47/17/383894717.db2.gz ZGHIFRKCIOAESP-SWLSCSKDSA-N 1 0 215.340 3.791 20 0 BHADRO CC(C)=CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309347052 383893638 /nfs/dbraw/zinc/89/36/38/383893638.db2.gz ZGHIFRKCIOAESP-WFASDCNBSA-N 1 0 215.340 3.791 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CC2(C)CC2)cs1 ZINC000309349702 385542312 /nfs/dbraw/zinc/54/23/12/385542312.db2.gz MNBRUKDIDAWKOP-JTQLQIEISA-N 1 0 238.400 3.717 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CC2(C)CC2)cs1 ZINC000309349703 385541968 /nfs/dbraw/zinc/54/19/68/385541968.db2.gz MNBRUKDIDAWKOP-SNVBAGLBSA-N 1 0 238.400 3.717 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000309349954 383896669 /nfs/dbraw/zinc/89/66/69/383896669.db2.gz XGCIQDWRCQFQAE-CFVMTHIKSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000309349956 529126506 /nfs/dbraw/zinc/12/65/06/529126506.db2.gz XGCIQDWRCQFQAE-QEJZJMRPSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000309349958 383895770 /nfs/dbraw/zinc/89/57/70/383895770.db2.gz XGCIQDWRCQFQAE-SNPRPXQTSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000309349960 383897661 /nfs/dbraw/zinc/89/76/61/383897661.db2.gz XGCIQDWRCQFQAE-YUELXQCFSA-N 1 0 217.356 3.772 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000309351571 385543307 /nfs/dbraw/zinc/54/33/07/385543307.db2.gz XOOUBSFPGFVBLL-KBPBESRZSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000309351573 347038280 /nfs/dbraw/zinc/03/82/80/347038280.db2.gz XOOUBSFPGFVBLL-KGLIPLIRSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000309351574 385544259 /nfs/dbraw/zinc/54/42/59/385544259.db2.gz XOOUBSFPGFVBLL-UONOGXRCSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000309351576 347038781 /nfs/dbraw/zinc/03/87/81/347038781.db2.gz XOOUBSFPGFVBLL-ZIAGYGMSSA-N 1 0 217.356 3.916 20 0 BHADRO Cc1cc(C[NH2+]C(C(C)C)C(C)C)c(C)o1 ZINC000309351997 632010113 /nfs/dbraw/zinc/01/01/13/632010113.db2.gz NBFHMIGAQAIISX-UHFFFAOYSA-N 1 0 223.360 3.667 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC2CC2)oc1C ZINC000309352490 178232808 /nfs/dbraw/zinc/23/28/08/178232808.db2.gz NDEIVVUPAMXJLF-GHMZBOCLSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC2CC2)oc1C ZINC000309352491 178256350 /nfs/dbraw/zinc/25/63/50/178256350.db2.gz NDEIVVUPAMXJLF-MNOVXSKESA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC2CC2)oc1C ZINC000309352492 178251561 /nfs/dbraw/zinc/25/15/61/178251561.db2.gz NDEIVVUPAMXJLF-QWRGUYRKSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC2CC2)oc1C ZINC000309352493 178231009 /nfs/dbraw/zinc/23/10/09/178231009.db2.gz NDEIVVUPAMXJLF-WDEREUQCSA-N 1 0 221.344 3.736 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC000309352612 343322556 /nfs/dbraw/zinc/32/25/56/343322556.db2.gz NKESADRBXZFJFU-JRKPZEMJSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC000309352613 343322558 /nfs/dbraw/zinc/32/25/58/343322558.db2.gz NKESADRBXZFJFU-KKFJDGPESA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]1C ZINC000309352614 343322494 /nfs/dbraw/zinc/32/24/94/343322494.db2.gz NKESADRBXZFJFU-VYUIOLGVSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]1C ZINC000309352615 343322669 /nfs/dbraw/zinc/32/26/69/343322669.db2.gz NKESADRBXZFJFU-ZDMBXUJBSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCSC1 ZINC000309355226 383907250 /nfs/dbraw/zinc/90/72/50/383907250.db2.gz NRPNFOIKBVZJRK-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCSC1 ZINC000309355227 322901972 /nfs/dbraw/zinc/90/19/72/322901972.db2.gz NRPNFOIKBVZJRK-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCSC1 ZINC000309355228 383907551 /nfs/dbraw/zinc/90/75/51/383907551.db2.gz NRPNFOIKBVZJRK-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCSC1 ZINC000309355229 383907197 /nfs/dbraw/zinc/90/71/97/383907197.db2.gz NRPNFOIKBVZJRK-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000309355394 385547909 /nfs/dbraw/zinc/54/79/09/385547909.db2.gz ACURYYYUSXNPQP-COPLHBTASA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000309355395 385547192 /nfs/dbraw/zinc/54/71/92/385547192.db2.gz ACURYYYUSXNPQP-JTNHKYCSSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000309355396 385547953 /nfs/dbraw/zinc/54/79/53/385547953.db2.gz ACURYYYUSXNPQP-MISXGVKJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000309355397 180543286 /nfs/dbraw/zinc/54/32/86/180543286.db2.gz ACURYYYUSXNPQP-UHIISALHSA-N 1 0 221.344 3.502 20 0 BHADRO CC(C)c1cccc(C[NH2+]C2CC(C)C2)c1 ZINC000309356885 383907971 /nfs/dbraw/zinc/90/79/71/383907971.db2.gz OAJWKGBUBBYOQH-UHFFFAOYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000309356941 491147422 /nfs/dbraw/zinc/14/74/22/491147422.db2.gz OAQULEHYIWBXQC-NXEZZACHSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000309356946 491147425 /nfs/dbraw/zinc/14/74/25/491147425.db2.gz OAQULEHYIWBXQC-UWVGGRQHSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000309356949 491147401 /nfs/dbraw/zinc/14/74/01/491147401.db2.gz OAQULEHYIWBXQC-VHSXEESVSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000309356953 491147418 /nfs/dbraw/zinc/14/74/18/491147418.db2.gz OAQULEHYIWBXQC-ZJUUUORDSA-N 1 0 237.309 3.599 20 0 BHADRO CC1CC([NH2+]CC(C)(C)C2=CCCCC2)C1 ZINC000309359641 343321675 /nfs/dbraw/zinc/32/16/75/343321675.db2.gz AGTQNFLVOWAVNW-UHFFFAOYSA-N 1 0 221.388 3.901 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000309360402 491147511 /nfs/dbraw/zinc/14/75/11/491147511.db2.gz AJWHOFWOHIBOGI-GXSJLCMTSA-N 1 0 231.330 3.612 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000309360403 491147462 /nfs/dbraw/zinc/14/74/62/491147462.db2.gz AJWHOFWOHIBOGI-KOLCDFICSA-N 1 0 231.330 3.612 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000309360404 491147448 /nfs/dbraw/zinc/14/74/48/491147448.db2.gz AJWHOFWOHIBOGI-MWLCHTKSSA-N 1 0 231.330 3.612 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000309360405 491147475 /nfs/dbraw/zinc/14/74/75/491147475.db2.gz AJWHOFWOHIBOGI-ONGXEEELSA-N 1 0 231.330 3.612 20 0 BHADRO C=Cc1ccc(CC[NH2+]CC(C)(C)C)cc1 ZINC000309360479 343321893 /nfs/dbraw/zinc/32/18/93/343321893.db2.gz OOTSRLHRZCGRRK-UHFFFAOYSA-N 1 0 217.356 3.508 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000309361438 343322176 /nfs/dbraw/zinc/32/21/76/343322176.db2.gz OTXDUKKLEYYIEB-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000309361439 343322181 /nfs/dbraw/zinc/32/21/81/343322181.db2.gz OTXDUKKLEYYIEB-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000309361480 187997217 /nfs/dbraw/zinc/99/72/17/187997217.db2.gz OVFLEJRLYRWHDF-UHFFFAOYSA-N 1 0 238.400 3.712 20 0 BHADRO Cc1sccc1C[NH2+]Cc1ccccc1C ZINC000309362640 179282425 /nfs/dbraw/zinc/28/24/25/179282425.db2.gz DGWMFCGSNHYHOD-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO Cc1cc(C)[nH+]c(NC2CC(C(C)C)C2)c1 ZINC000309363192 259312490 /nfs/dbraw/zinc/31/24/90/259312490.db2.gz PBGYUWIUMFXRST-UHFFFAOYSA-N 1 0 218.344 3.545 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CCC2=CCCC2)CS1 ZINC000309363298 187309594 /nfs/dbraw/zinc/30/95/94/187309594.db2.gz PCWCYOHYSQFLAC-KBPBESRZSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCC2=CCCC2)CS1 ZINC000309363301 188344622 /nfs/dbraw/zinc/34/46/22/188344622.db2.gz PCWCYOHYSQFLAC-KGLIPLIRSA-N 1 0 239.428 3.607 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccs1 ZINC000309363674 385549765 /nfs/dbraw/zinc/54/97/65/385549765.db2.gz AVKZSTGOKXEIMI-MRVPVSSYSA-N 1 0 249.301 3.741 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccs1 ZINC000309363676 385548928 /nfs/dbraw/zinc/54/89/28/385548928.db2.gz AVKZSTGOKXEIMI-QMMMGPOBSA-N 1 0 249.301 3.741 20 0 BHADRO CC[N@H+](Cc1ccnc(Cl)c1)CC(C)(C)C ZINC000309363729 632023080 /nfs/dbraw/zinc/02/30/80/632023080.db2.gz OKUDCSIAYMMZFL-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CCC2=CCCC2)CS1 ZINC000309363879 167503211 /nfs/dbraw/zinc/50/32/11/167503211.db2.gz PCWCYOHYSQFLAC-UONOGXRCSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CCC2=CCCC2)CS1 ZINC000309363882 385551568 /nfs/dbraw/zinc/55/15/68/385551568.db2.gz PCWCYOHYSQFLAC-ZIAGYGMSSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000309363929 383906648 /nfs/dbraw/zinc/90/66/48/383906648.db2.gz PDNJPFYVPHPXRS-DOMZBBRYSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000309363931 383906888 /nfs/dbraw/zinc/90/68/88/383906888.db2.gz PDNJPFYVPHPXRS-IUODEOHRSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000309363934 383908090 /nfs/dbraw/zinc/90/80/90/383908090.db2.gz PDNJPFYVPHPXRS-SWLSCSKDSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000309363935 383906673 /nfs/dbraw/zinc/90/66/73/383906673.db2.gz PDNJPFYVPHPXRS-WFASDCNBSA-N 1 0 217.356 3.556 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)cc1C ZINC000309364075 323082059 /nfs/dbraw/zinc/08/20/59/323082059.db2.gz PGIAZJWZPFNPOU-UHFFFAOYSA-N 1 0 219.372 3.828 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000309364883 383907980 /nfs/dbraw/zinc/90/79/80/383907980.db2.gz AEQIIOQRBBJCMI-CMPLNLGQSA-N 1 0 237.412 3.934 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000309364888 383908068 /nfs/dbraw/zinc/90/80/68/383908068.db2.gz AEQIIOQRBBJCMI-JQWIXIFHSA-N 1 0 237.412 3.934 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000309364893 383908116 /nfs/dbraw/zinc/90/81/16/383908116.db2.gz AEQIIOQRBBJCMI-PWSUYJOCSA-N 1 0 237.412 3.934 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000309364898 383906440 /nfs/dbraw/zinc/90/64/40/383906440.db2.gz AEQIIOQRBBJCMI-ZYHUDNBSSA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309364901 491147525 /nfs/dbraw/zinc/14/75/25/491147525.db2.gz PHZMRCYFCSGTLP-GRYCIOLGSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309364903 491147552 /nfs/dbraw/zinc/14/75/52/491147552.db2.gz PHZMRCYFCSGTLP-SDDRHHMPSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309364904 491147570 /nfs/dbraw/zinc/14/75/70/491147570.db2.gz PHZMRCYFCSGTLP-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309364905 491108880 /nfs/dbraw/zinc/10/88/80/491108880.db2.gz PHZMRCYFCSGTLP-WOPDTQHZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000309365564 383907897 /nfs/dbraw/zinc/90/78/97/383907897.db2.gz BCSFYXRMVLPZOO-DBIOUOCHSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000309365565 383907156 /nfs/dbraw/zinc/90/71/56/383907156.db2.gz BCSFYXRMVLPZOO-RCWTZXSCSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000309365566 229573789 /nfs/dbraw/zinc/57/37/89/229573789.db2.gz BCSFYXRMVLPZOO-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000309365568 383905742 /nfs/dbraw/zinc/90/57/42/383905742.db2.gz BCSFYXRMVLPZOO-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CCC2)oc1C ZINC000309366400 632023697 /nfs/dbraw/zinc/02/36/97/632023697.db2.gz BHQQWKUPCRWHJN-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CCC2)oc1C ZINC000309366402 632022543 /nfs/dbraw/zinc/02/25/43/632022543.db2.gz BHQQWKUPCRWHJN-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000309367346 383906570 /nfs/dbraw/zinc/90/65/70/383906570.db2.gz AOMPZXZOBOAXOV-OCCSQVGLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000309367348 383907880 /nfs/dbraw/zinc/90/78/80/383907880.db2.gz AOMPZXZOBOAXOV-TZMCWYRMSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000309367923 527408239 /nfs/dbraw/zinc/40/82/39/527408239.db2.gz BMWYWNQXBUFSOD-GFCCVEGCSA-N 1 0 221.344 3.903 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000309367924 383907632 /nfs/dbraw/zinc/90/76/32/383907632.db2.gz BMWYWNQXBUFSOD-LBPRGKRZSA-N 1 0 221.344 3.903 20 0 BHADRO CCc1ncc(C[NH2+]C(C)(C)C(C)(C)C)s1 ZINC000309368151 172017104 /nfs/dbraw/zinc/01/71/04/172017104.db2.gz PSKBKRNUXMSYKU-UHFFFAOYSA-N 1 0 240.416 3.620 20 0 BHADRO Cc1ccc(CC[NH2+]C(C)(C)C(C)C)cc1 ZINC000309369900 350355309 /nfs/dbraw/zinc/35/53/09/350355309.db2.gz QEWLBTLDKOJZSD-UHFFFAOYSA-N 1 0 219.372 3.562 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000309370056 383908074 /nfs/dbraw/zinc/90/80/74/383908074.db2.gz AZMLLGBHFCNIIH-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000309370060 383908015 /nfs/dbraw/zinc/90/80/15/383908015.db2.gz AZMLLGBHFCNIIH-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309370523 491147624 /nfs/dbraw/zinc/14/76/24/491147624.db2.gz BYZBKZHLRDUIFQ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309370524 491147595 /nfs/dbraw/zinc/14/75/95/491147595.db2.gz BYZBKZHLRDUIFQ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309370526 491147593 /nfs/dbraw/zinc/14/75/93/491147593.db2.gz BYZBKZHLRDUIFQ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309370527 491147642 /nfs/dbraw/zinc/14/76/42/491147642.db2.gz BYZBKZHLRDUIFQ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000309370528 259312501 /nfs/dbraw/zinc/31/25/01/259312501.db2.gz BYZKDVTZPCZADQ-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000309370529 259312469 /nfs/dbraw/zinc/31/24/69/259312469.db2.gz BYZKDVTZPCZADQ-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C2CC(C(C)C)C2)s1 ZINC000309371415 541368866 /nfs/dbraw/zinc/36/88/66/541368866.db2.gz QOQIQSRBRUYEPR-GCVQQVDUSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C2CC(C(C)C)C2)s1 ZINC000309371418 491147658 /nfs/dbraw/zinc/14/76/58/491147658.db2.gz QOQIQSRBRUYEPR-OIKLOGQESA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)n1 ZINC000309372175 385554595 /nfs/dbraw/zinc/55/45/95/385554595.db2.gz CDMGFAHQAHOPJF-DCAQKATOSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)n1 ZINC000309372177 385554285 /nfs/dbraw/zinc/55/42/85/385554285.db2.gz CDMGFAHQAHOPJF-GARJFASQSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)n1 ZINC000309372178 385554619 /nfs/dbraw/zinc/55/46/19/385554619.db2.gz CDMGFAHQAHOPJF-OUAUKWLOSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)n1 ZINC000309372180 385554604 /nfs/dbraw/zinc/55/46/04/385554604.db2.gz CDMGFAHQAHOPJF-VWYCJHECSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)C)cc(Cl)n1 ZINC000309372253 632986233 /nfs/dbraw/zinc/98/62/33/632986233.db2.gz QSBCDQWADFCGGZ-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCSC1 ZINC000309373011 383920921 /nfs/dbraw/zinc/92/09/21/383920921.db2.gz CFBXOTWFRXISRO-HZSPNIEDSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@H]1CCSC1 ZINC000309373013 383920686 /nfs/dbraw/zinc/92/06/86/383920686.db2.gz CFBXOTWFRXISRO-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@H]1CCSC1 ZINC000309373014 256524778 /nfs/dbraw/zinc/52/47/78/256524778.db2.gz CFBXOTWFRXISRO-MGPQQGTHSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@@H]1CCSC1 ZINC000309373015 383921582 /nfs/dbraw/zinc/92/15/82/383921582.db2.gz CFBXOTWFRXISRO-RDBSUJKOSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309373158 383919476 /nfs/dbraw/zinc/91/94/76/383919476.db2.gz QUQGEVAHGFYWHY-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309374387 383921951 /nfs/dbraw/zinc/92/19/51/383921951.db2.gz QZEDTHDHUOOVEM-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309374397 383919937 /nfs/dbraw/zinc/91/99/37/383919937.db2.gz QZEDTHDHUOOVEM-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309374398 256524864 /nfs/dbraw/zinc/52/48/64/256524864.db2.gz QZEDTHDHUOOVEM-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309374400 383920133 /nfs/dbraw/zinc/92/01/33/383920133.db2.gz QZEDTHDHUOOVEM-YNEHKIRRSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000309374848 633903232 /nfs/dbraw/zinc/90/32/32/633903232.db2.gz CLSOQOKLTHTNLH-JTQLQIEISA-N 1 0 241.400 3.598 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CSC(C)(C)C ZINC000309374850 633902340 /nfs/dbraw/zinc/90/23/40/633902340.db2.gz CLSOQOKLTHTNLH-SNVBAGLBSA-N 1 0 241.400 3.598 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000309374891 383921345 /nfs/dbraw/zinc/92/13/45/383921345.db2.gz CLYCASMCHPCULC-BIMULSAOSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000309374894 256525122 /nfs/dbraw/zinc/52/51/22/256525122.db2.gz CLYCASMCHPCULC-TVYUQYBPSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000309374897 256525115 /nfs/dbraw/zinc/52/51/15/256525115.db2.gz CLYCASMCHPCULC-XDTLVQLUSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000309374899 256525099 /nfs/dbraw/zinc/52/50/99/256525099.db2.gz CLYCASMCHPCULC-ZWKOPEQDSA-N 1 0 241.737 3.881 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(F)ccc1C ZINC000309375041 383919667 /nfs/dbraw/zinc/91/96/67/383919667.db2.gz RAEUUJIIYUVAJJ-UHFFFAOYSA-N 1 0 221.319 3.580 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000309375565 383920570 /nfs/dbraw/zinc/92/05/70/383920570.db2.gz CNRQPGSFHJHIFB-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000309375568 383921026 /nfs/dbraw/zinc/92/10/26/383921026.db2.gz CNRQPGSFHJHIFB-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000309375570 383920260 /nfs/dbraw/zinc/92/02/60/383920260.db2.gz CNRQPGSFHJHIFB-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000309375572 383920441 /nfs/dbraw/zinc/92/04/41/383920441.db2.gz CNRQPGSFHJHIFB-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000309376277 491054292 /nfs/dbraw/zinc/05/42/92/491054292.db2.gz QVTHSSBUZFYJAC-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000309376279 491147715 /nfs/dbraw/zinc/14/77/15/491147715.db2.gz QVTHSSBUZFYJAC-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000309376280 491147741 /nfs/dbraw/zinc/14/77/41/491147741.db2.gz QVTHSSBUZFYJAC-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000309376282 491147700 /nfs/dbraw/zinc/14/77/00/491147700.db2.gz QVTHSSBUZFYJAC-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000309378098 188167120 /nfs/dbraw/zinc/16/71/20/188167120.db2.gz ROVGDILRYLNEAU-UHFFFAOYSA-N 1 0 238.400 3.712 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000309378782 383928797 /nfs/dbraw/zinc/92/87/97/383928797.db2.gz RPGYLDJGVZBRTQ-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000309378837 383929114 /nfs/dbraw/zinc/92/91/14/383929114.db2.gz RQRZBALCGLVUHU-KBPBESRZSA-N 1 0 227.367 3.851 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000309378841 527408281 /nfs/dbraw/zinc/40/82/81/527408281.db2.gz RQRZBALCGLVUHU-KGLIPLIRSA-N 1 0 227.367 3.851 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1F ZINC000309378842 383882567 /nfs/dbraw/zinc/88/25/67/383882567.db2.gz CZUZNLGMKXWMCF-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000309378843 383927228 /nfs/dbraw/zinc/92/72/28/383927228.db2.gz RQRZBALCGLVUHU-UONOGXRCSA-N 1 0 227.367 3.851 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccccc1F ZINC000309378844 385557718 /nfs/dbraw/zinc/55/77/18/385557718.db2.gz CZUZNLGMKXWMCF-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000309378845 383928317 /nfs/dbraw/zinc/92/83/17/383928317.db2.gz RQRZBALCGLVUHU-ZIAGYGMSSA-N 1 0 227.367 3.851 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C1CC(C)C1 ZINC000309379101 383929088 /nfs/dbraw/zinc/92/90/88/383929088.db2.gz DCDYWRTYSCNKML-AWAWDMARSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000309379104 383929169 /nfs/dbraw/zinc/92/91/69/383929169.db2.gz DCDYWRTYSCNKML-IWXRYERYSA-N 1 0 217.356 3.753 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@@H]1C ZINC000309380998 256525117 /nfs/dbraw/zinc/52/51/17/256525117.db2.gz DHQIJNIZEYXCHG-NKQKNBIVSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H]1C ZINC000309380999 383921707 /nfs/dbraw/zinc/92/17/07/383921707.db2.gz DHQIJNIZEYXCHG-QFCKPIOYSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@@H]1C ZINC000309381000 383920757 /nfs/dbraw/zinc/92/07/57/383920757.db2.gz DHQIJNIZEYXCHG-SOMZYNEFSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@H]1C ZINC000309381002 533880989 /nfs/dbraw/zinc/88/09/89/533880989.db2.gz DHQIJNIZEYXCHG-VJFWYMLFSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]CCCCF)cs1 ZINC000309383541 385557081 /nfs/dbraw/zinc/55/70/81/385557081.db2.gz SJLRPUVJGWRWCJ-JTQLQIEISA-N 1 0 244.379 3.667 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]CCCCF)cs1 ZINC000309383544 385556912 /nfs/dbraw/zinc/55/69/12/385556912.db2.gz SJLRPUVJGWRWCJ-SNVBAGLBSA-N 1 0 244.379 3.667 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccnc(Cl)c1 ZINC000309384513 632023401 /nfs/dbraw/zinc/02/34/01/632023401.db2.gz GWUKMLJBQJSEPP-LLVKDONJSA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccnc(Cl)c1 ZINC000309384515 633905995 /nfs/dbraw/zinc/90/59/95/633905995.db2.gz GWUKMLJBQJSEPP-NSHDSACASA-N 1 0 240.778 3.746 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000309384938 633002492 /nfs/dbraw/zinc/00/24/92/633002492.db2.gz DMEFYTJUWVPSCL-FQKPHLNHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000309384940 633001238 /nfs/dbraw/zinc/00/12/38/633001238.db2.gz DMEFYTJUWVPSCL-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000309384942 633002397 /nfs/dbraw/zinc/00/23/97/633002397.db2.gz DMEFYTJUWVPSCL-QMIVOQANSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000309384944 633001562 /nfs/dbraw/zinc/00/15/62/633001562.db2.gz DMEFYTJUWVPSCL-RYPNDVFKSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc2occc2c1 ZINC000309385562 527688846 /nfs/dbraw/zinc/68/88/46/527688846.db2.gz SQNSHRXDKNIXDG-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CS1 ZINC000309387698 491147759 /nfs/dbraw/zinc/14/77/59/491147759.db2.gz SXRKCIVIKIAFQQ-CHWSQXEVSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CS1 ZINC000309387700 491147814 /nfs/dbraw/zinc/14/78/14/491147814.db2.gz SXRKCIVIKIAFQQ-OLZOCXBDSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CS1 ZINC000309387703 491147821 /nfs/dbraw/zinc/14/78/21/491147821.db2.gz SXRKCIVIKIAFQQ-QWHCGFSZSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CS1 ZINC000309387705 491147795 /nfs/dbraw/zinc/14/77/95/491147795.db2.gz SXRKCIVIKIAFQQ-STQMWFEESA-N 1 0 241.444 3.542 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCF)ccc1F ZINC000309388930 178225340 /nfs/dbraw/zinc/22/53/40/178225340.db2.gz FKDNXLXYGLLRAI-LLVKDONJSA-N 1 0 227.298 3.534 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCCF)ccc1F ZINC000309388933 178246756 /nfs/dbraw/zinc/24/67/56/178246756.db2.gz FKDNXLXYGLLRAI-NSHDSACASA-N 1 0 227.298 3.534 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309389158 633005935 /nfs/dbraw/zinc/00/59/35/633005935.db2.gz FMWLZENBVNUFTF-GWCFXTLKSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309389162 633005187 /nfs/dbraw/zinc/00/51/87/633005187.db2.gz FMWLZENBVNUFTF-GXFFZTMASA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309389164 633906175 /nfs/dbraw/zinc/90/61/75/633906175.db2.gz FMWLZENBVNUFTF-MFKMUULPSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309389166 632022346 /nfs/dbraw/zinc/02/23/46/632022346.db2.gz FMWLZENBVNUFTF-ZWNOBZJWSA-N 1 0 235.758 3.717 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000309389711 383924083 /nfs/dbraw/zinc/92/40/83/383924083.db2.gz UCWMBODQCVNYEV-GHMZBOCLSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000309389718 383924872 /nfs/dbraw/zinc/92/48/72/383924872.db2.gz UCWMBODQCVNYEV-MNOVXSKESA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000309389724 383925138 /nfs/dbraw/zinc/92/51/38/383925138.db2.gz UCWMBODQCVNYEV-QWRGUYRKSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000309389732 383923115 /nfs/dbraw/zinc/92/31/15/383923115.db2.gz UCWMBODQCVNYEV-WDEREUQCSA-N 1 0 237.309 3.743 20 0 BHADRO CC1(C)CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000309389917 383923645 /nfs/dbraw/zinc/92/36/45/383923645.db2.gz FPLXLPXWNYFCIA-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CC(C)CC1(C[NH2+]CC2(F)CC2)CCCC1 ZINC000309390782 323365990 /nfs/dbraw/zinc/36/59/90/323365990.db2.gz UJRCGVMQUFZURU-UHFFFAOYSA-N 1 0 227.367 3.685 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000309390976 534757640 /nfs/dbraw/zinc/75/76/40/534757640.db2.gz FIKTXZCNDITPKA-OCCSQVGLSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000309390978 383934361 /nfs/dbraw/zinc/93/43/61/383934361.db2.gz FIKTXZCNDITPKA-TZMCWYRMSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000309391709 526673771 /nfs/dbraw/zinc/67/37/71/526673771.db2.gz UMRTWQFFRVTKHY-BFHYXJOUSA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000309391711 383934434 /nfs/dbraw/zinc/93/44/34/383934434.db2.gz UMRTWQFFRVTKHY-MCIONIFRSA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000309391713 383934952 /nfs/dbraw/zinc/93/49/52/383934952.db2.gz UMRTWQFFRVTKHY-MGPQQGTHSA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000309391716 383934962 /nfs/dbraw/zinc/93/49/62/383934962.db2.gz UMRTWQFFRVTKHY-MJBXVCDLSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)[C@@H]1CC1(C)C ZINC000309392215 323371316 /nfs/dbraw/zinc/37/13/16/323371316.db2.gz FZULSNDJGPZSFK-AAEUAGOBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)[C@H]1CC1(C)C ZINC000309392216 323371475 /nfs/dbraw/zinc/37/14/75/323371475.db2.gz FZULSNDJGPZSFK-DGCLKSJQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)[C@H]1CC1(C)C ZINC000309392217 323371246 /nfs/dbraw/zinc/37/12/46/323371246.db2.gz FZULSNDJGPZSFK-WCQYABFASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)[C@@H]1CC1(C)C ZINC000309392218 323371200 /nfs/dbraw/zinc/37/12/00/323371200.db2.gz FZULSNDJGPZSFK-YPMHNXCESA-N 1 0 237.412 3.705 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1C ZINC000309392312 229575256 /nfs/dbraw/zinc/57/52/56/229575256.db2.gz GBZADTAEVUYCFC-CORIIIEPSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1C ZINC000309392313 383934065 /nfs/dbraw/zinc/93/40/65/383934065.db2.gz GBZADTAEVUYCFC-OSAQELSMSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1C ZINC000309392315 383934630 /nfs/dbraw/zinc/93/46/30/383934630.db2.gz GBZADTAEVUYCFC-WHOFXGATSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1C ZINC000309392316 383935002 /nfs/dbraw/zinc/93/50/02/383935002.db2.gz GBZADTAEVUYCFC-ZLDLUXBVSA-N 1 0 217.356 3.753 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000309392446 383934552 /nfs/dbraw/zinc/93/45/52/383934552.db2.gz UQOCEOBRHWYXNA-CYBMUJFWSA-N 1 0 243.753 3.986 20 0 BHADRO CC(C)[C@H]([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000309392448 383934003 /nfs/dbraw/zinc/93/40/03/383934003.db2.gz UQOCEOBRHWYXNA-ZDUSSCGKSA-N 1 0 243.753 3.986 20 0 BHADRO CC(C)c1ccc(C(C)(C)[NH2+]CCF)cc1 ZINC000309393216 491148194 /nfs/dbraw/zinc/14/81/94/491148194.db2.gz UVXXAGJWLPGQHR-UHFFFAOYSA-N 1 0 223.335 3.604 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000309393298 383936067 /nfs/dbraw/zinc/93/60/67/383936067.db2.gz FUPFTLPTZPXWSG-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000309393304 229574588 /nfs/dbraw/zinc/57/45/88/229574588.db2.gz FUPFTLPTZPXWSG-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309394692 491148168 /nfs/dbraw/zinc/14/81/68/491148168.db2.gz GISZPOBCMWQJTA-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309394695 491148157 /nfs/dbraw/zinc/14/81/57/491148157.db2.gz GISZPOBCMWQJTA-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309394697 491148184 /nfs/dbraw/zinc/14/81/84/491148184.db2.gz GISZPOBCMWQJTA-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309394698 491148154 /nfs/dbraw/zinc/14/81/54/491148154.db2.gz GISZPOBCMWQJTA-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C(C)(C)C ZINC000309395757 633010247 /nfs/dbraw/zinc/01/02/47/633010247.db2.gz VIYVJAPAIUYILI-JTQLQIEISA-N 1 0 240.778 3.507 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)nc1)C(C)(C)C ZINC000309395758 632024037 /nfs/dbraw/zinc/02/40/37/632024037.db2.gz VIYVJAPAIUYILI-SNVBAGLBSA-N 1 0 240.778 3.507 20 0 BHADRO CCc1nc(C[NH2+]C(C)(C)C(C)(C)C)cs1 ZINC000309396975 347047016 /nfs/dbraw/zinc/04/70/16/347047016.db2.gz UQBJEWCDECQNLH-UHFFFAOYSA-N 1 0 240.416 3.620 20 0 BHADRO CC(C)C(C[NH2+]CC1CC(F)(F)C1)C(C)C ZINC000309397123 383929131 /nfs/dbraw/zinc/92/91/31/383929131.db2.gz VNQPLKAUSKJIGS-UHFFFAOYSA-N 1 0 233.346 3.550 20 0 BHADRO C[C@H]([NH2+]CCCF)c1csc2ccccc12 ZINC000309397149 633011578 /nfs/dbraw/zinc/01/15/78/633011578.db2.gz GSPHELZEAHYWKA-JTQLQIEISA-N 1 0 237.343 3.912 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1csc2ccccc12 ZINC000309397150 633012742 /nfs/dbraw/zinc/01/27/42/633012742.db2.gz GSPHELZEAHYWKA-SNVBAGLBSA-N 1 0 237.343 3.912 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC2CC2)oc1C ZINC000309397990 350368295 /nfs/dbraw/zinc/36/82/95/350368295.db2.gz GWZZYVGACCNGFJ-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC2CC2)oc1C ZINC000309397992 350368220 /nfs/dbraw/zinc/36/82/20/350368220.db2.gz GWZZYVGACCNGFJ-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Cc1csc([C@H](C)C[NH2+]CCCC(C)C)n1 ZINC000309398152 179794675 /nfs/dbraw/zinc/79/46/75/179794675.db2.gz VRVVZBJCNNXDNX-LLVKDONJSA-N 1 0 240.416 3.581 20 0 BHADRO Cc1csc([C@@H](C)C[NH2+]CCCC(C)C)n1 ZINC000309398154 384022183 /nfs/dbraw/zinc/02/21/83/384022183.db2.gz VRVVZBJCNNXDNX-NSHDSACASA-N 1 0 240.416 3.581 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+]C1CCC1 ZINC000309398201 183335450 /nfs/dbraw/zinc/33/54/50/183335450.db2.gz VTMRDFZGGZESNU-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CC(C)c1ncc(C[NH2+]C(C)(C)C2CC2)s1 ZINC000309398212 347046989 /nfs/dbraw/zinc/04/69/89/347046989.db2.gz VUCUHAFMFZPVDM-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000309399743 383926448 /nfs/dbraw/zinc/92/64/48/383926448.db2.gz HEHKKFYURHZCCQ-FRRDWIJNSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000309399745 383927639 /nfs/dbraw/zinc/92/76/39/383927639.db2.gz HEHKKFYURHZCCQ-JHJVBQTASA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000309399747 383927955 /nfs/dbraw/zinc/92/79/55/383927955.db2.gz HEHKKFYURHZCCQ-RWMBFGLXSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000309399750 383929306 /nfs/dbraw/zinc/92/93/06/383929306.db2.gz HEHKKFYURHZCCQ-YNEHKIRRSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)c1csc(C[NH2+]CC2(C)CCC2)n1 ZINC000309399862 491096628 /nfs/dbraw/zinc/09/66/28/491096628.db2.gz HFPDGBRFTLCOGJ-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)(C[NH2+]C1CCCCCC1)C(F)(F)F ZINC000309399998 347046929 /nfs/dbraw/zinc/04/69/29/347046929.db2.gz WBHARIJRMBSPJG-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)=CC[NH2+]CCc1ccc(F)cc1Cl ZINC000309400565 383933035 /nfs/dbraw/zinc/93/30/35/383933035.db2.gz WCPNPBHOCDEAGO-UHFFFAOYSA-N 1 0 241.737 3.577 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)C1(C)CC1 ZINC000309400589 176838775 /nfs/dbraw/zinc/83/87/75/176838775.db2.gz HIAJEHUATSIZLY-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1(C)CC1 ZINC000309400592 385571685 /nfs/dbraw/zinc/57/16/85/385571685.db2.gz HIAJEHUATSIZLY-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C1[C@H](C2CCCCC2)[C@H]1[NH2+]C1CCCCC1 ZINC000309400593 347055524 /nfs/dbraw/zinc/05/55/24/347055524.db2.gz WDGZEJHXEHKOKC-CABCVRRESA-N 1 0 221.388 3.878 20 0 BHADRO C1[C@H]([NH2+]C2CCCCC2)[C@@H]1C1CCCCC1 ZINC000309400596 347055701 /nfs/dbraw/zinc/05/57/01/347055701.db2.gz WDGZEJHXEHKOKC-GJZGRUSLSA-N 1 0 221.388 3.878 20 0 BHADRO C1[C@@H]([NH2+]C2CCCCC2)[C@H]1C1CCCCC1 ZINC000309400599 350368455 /nfs/dbraw/zinc/36/84/55/350368455.db2.gz WDGZEJHXEHKOKC-HUUCEWRRSA-N 1 0 221.388 3.878 20 0 BHADRO C1[C@@H]([NH2+]C2CCCCC2)[C@@H]1C1CCCCC1 ZINC000309400602 350368202 /nfs/dbraw/zinc/36/82/02/350368202.db2.gz WDGZEJHXEHKOKC-LSDHHAIUSA-N 1 0 221.388 3.878 20 0 BHADRO CCCC[NH2+]CCCc1ccc(C)cc1C ZINC000309401232 633913924 /nfs/dbraw/zinc/91/39/24/633913924.db2.gz ABENDYKLKPRKQI-UHFFFAOYSA-N 1 0 219.372 3.626 20 0 BHADRO CC(C)C1CC([NH2+]C2CCC3(CC3)CC2)C1 ZINC000309401557 383981767 /nfs/dbraw/zinc/98/17/67/383981767.db2.gz WITJKXFKGQCXKT-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)c1nccn1C[C@@H]1CCC[C@@H](C)C1 ZINC000309401921 385571542 /nfs/dbraw/zinc/57/15/42/385571542.db2.gz DROJXTHCWFPXCD-CHWSQXEVSA-N 1 0 220.360 3.833 20 0 BHADRO CC(C)c1nccn1C[C@@H]1CCC[C@H](C)C1 ZINC000309401923 385570971 /nfs/dbraw/zinc/57/09/71/385570971.db2.gz DROJXTHCWFPXCD-QWHCGFSZSA-N 1 0 220.360 3.833 20 0 BHADRO Cc1cnc([C@H](C)C[NH2+]CCCC(C)C)s1 ZINC000309402296 385571445 /nfs/dbraw/zinc/57/14/45/385571445.db2.gz WKYUCIKONPNEAV-LLVKDONJSA-N 1 0 240.416 3.581 20 0 BHADRO Cc1cnc([C@@H](C)C[NH2+]CCCC(C)C)s1 ZINC000309402297 385571863 /nfs/dbraw/zinc/57/18/63/385571863.db2.gz WKYUCIKONPNEAV-NSHDSACASA-N 1 0 240.416 3.581 20 0 BHADRO C[C@@H]([NH2+]CCCF)[C@@H](C)c1ccc(Cl)cc1 ZINC000309402477 323380514 /nfs/dbraw/zinc/38/05/14/323380514.db2.gz HNDJGIDQKDHZDL-GHMZBOCLSA-N 1 0 243.753 3.781 20 0 BHADRO C[C@H]([NH2+]CCCF)[C@@H](C)c1ccc(Cl)cc1 ZINC000309402478 323380542 /nfs/dbraw/zinc/38/05/42/323380542.db2.gz HNDJGIDQKDHZDL-MNOVXSKESA-N 1 0 243.753 3.781 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCF ZINC000309402479 323380431 /nfs/dbraw/zinc/38/04/31/323380431.db2.gz HNDJGIDQKDHZDL-QWRGUYRKSA-N 1 0 243.753 3.781 20 0 BHADRO C[C@@H]([NH2+]CCCF)[C@H](C)c1ccc(Cl)cc1 ZINC000309402480 323380618 /nfs/dbraw/zinc/38/06/18/323380618.db2.gz HNDJGIDQKDHZDL-WDEREUQCSA-N 1 0 243.753 3.781 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C1CCCC1 ZINC000309403286 633017044 /nfs/dbraw/zinc/01/70/44/633017044.db2.gz WRRXKTHUQZRJKV-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO Cc1nc(C)c(C[NH2+]C(C)(C)C(C)(C)C)s1 ZINC000309403426 384051213 /nfs/dbraw/zinc/05/12/13/384051213.db2.gz VQIQFLIDPJESJM-UHFFFAOYSA-N 1 0 240.416 3.674 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c(C)s1 ZINC000309403542 178259840 /nfs/dbraw/zinc/25/98/40/178259840.db2.gz HRSCSRIZJIGGMN-DLOVCJGASA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c(C)s1 ZINC000309403544 178255973 /nfs/dbraw/zinc/25/59/73/178255973.db2.gz HRSCSRIZJIGGMN-MVWJERBFSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c(C)s1 ZINC000309403546 178257139 /nfs/dbraw/zinc/25/71/39/178257139.db2.gz HRSCSRIZJIGGMN-WCQGTBRESA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c(C)s1 ZINC000309403548 178256597 /nfs/dbraw/zinc/25/65/97/178256597.db2.gz HRSCSRIZJIGGMN-ZMLRMANQSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1sc(C[NH2+]CC(C)(C)C)nc1C(C)C ZINC000309405809 385572514 /nfs/dbraw/zinc/57/25/14/385572514.db2.gz XCAACYYUKHTPQF-UHFFFAOYSA-N 1 0 240.416 3.711 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCOC(C)(C)C ZINC000309406370 323381916 /nfs/dbraw/zinc/38/19/16/323381916.db2.gz AZXZNZGTFVPRPD-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCOC(C)(C)C ZINC000309406373 323382237 /nfs/dbraw/zinc/38/22/37/323382237.db2.gz AZXZNZGTFVPRPD-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCOC(C)(C)C ZINC000309406375 323382060 /nfs/dbraw/zinc/38/20/60/323382060.db2.gz AZXZNZGTFVPRPD-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCOC(C)(C)C ZINC000309406380 323382255 /nfs/dbraw/zinc/38/22/55/323382255.db2.gz AZXZNZGTFVPRPD-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C1(C2CC2)CC1 ZINC000309406645 323382313 /nfs/dbraw/zinc/38/23/13/323382313.db2.gz XGMIBKCYOJEZED-UHFFFAOYSA-N 1 0 223.404 3.979 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000309407253 383977146 /nfs/dbraw/zinc/97/71/46/383977146.db2.gz BEYFPSATZNEQDY-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000309407254 383977155 /nfs/dbraw/zinc/97/71/55/383977155.db2.gz BEYFPSATZNEQDY-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000309407255 383978470 /nfs/dbraw/zinc/97/84/70/383978470.db2.gz BEYFPSATZNEQDY-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000309407256 383978718 /nfs/dbraw/zinc/97/87/18/383978718.db2.gz BEYFPSATZNEQDY-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+]CCCC(C)C)c1 ZINC000309407378 633023558 /nfs/dbraw/zinc/02/35/58/633023558.db2.gz XJQYLSQHJWFDRI-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H](C)[C@H](C)OC ZINC000309409133 491148800 /nfs/dbraw/zinc/14/88/00/491148800.db2.gz BNKTYMXDTOQZQM-HZSPNIEDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000309409134 491148776 /nfs/dbraw/zinc/14/87/76/491148776.db2.gz BNKTYMXDTOQZQM-MCIONIFRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000309409135 491148791 /nfs/dbraw/zinc/14/87/91/491148791.db2.gz BNKTYMXDTOQZQM-MGPQQGTHSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)[C@H](C)OC ZINC000309409136 491148783 /nfs/dbraw/zinc/14/87/83/491148783.db2.gz BNKTYMXDTOQZQM-RDBSUJKOSA-N 1 0 229.408 3.606 20 0 BHADRO CC1CCC(C)(C[NH2+]C2CCSCC2)CC1 ZINC000309409363 168150433 /nfs/dbraw/zinc/15/04/33/168150433.db2.gz IHTOVHADIXCNNM-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000309409378 383976534 /nfs/dbraw/zinc/97/65/34/383976534.db2.gz IIILQVBIIQWDLO-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000309409379 528890533 /nfs/dbraw/zinc/89/05/33/528890533.db2.gz IIILQVBIIQWDLO-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000309409401 383976810 /nfs/dbraw/zinc/97/68/10/383976810.db2.gz IITLOIVSHSOGLI-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000309409404 383978465 /nfs/dbraw/zinc/97/84/65/383978465.db2.gz IITLOIVSHSOGLI-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000309409406 229576458 /nfs/dbraw/zinc/57/64/58/229576458.db2.gz IITLOIVSHSOGLI-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000309409408 383976902 /nfs/dbraw/zinc/97/69/02/383976902.db2.gz IITLOIVSHSOGLI-RDBSUJKOSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCC(=O)C(C)(C)C ZINC000309409482 633029105 /nfs/dbraw/zinc/02/91/05/633029105.db2.gz JZCFLEMSCAPDGT-GFCCVEGCSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCC(=O)C(C)(C)C ZINC000309409483 632048842 /nfs/dbraw/zinc/04/88/42/632048842.db2.gz JZCFLEMSCAPDGT-LBPRGKRZSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C(C)C)c(C)o1 ZINC000309410145 633027897 /nfs/dbraw/zinc/02/78/97/633027897.db2.gz XWOZPULPTKAFAP-UHFFFAOYSA-N 1 0 223.360 3.668 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000309411036 527407296 /nfs/dbraw/zinc/40/72/96/527407296.db2.gz XYJPVFVXZGNDNI-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CC=CCC1)C(F)(F)F ZINC000309411144 350371480 /nfs/dbraw/zinc/37/14/80/350371480.db2.gz YAGSVWKGLMBLJW-JTQLQIEISA-N 1 0 235.293 3.521 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC=CCC1)C(F)(F)F ZINC000309411146 350372338 /nfs/dbraw/zinc/37/23/38/350372338.db2.gz YAGSVWKGLMBLJW-SNVBAGLBSA-N 1 0 235.293 3.521 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)[C@@H]1C ZINC000309411391 385573955 /nfs/dbraw/zinc/57/39/55/385573955.db2.gz WSGSAVLVICFOFM-AAXDQBDMSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@H]1C ZINC000309411395 385573426 /nfs/dbraw/zinc/57/34/26/385573426.db2.gz WSGSAVLVICFOFM-DNIRFERGSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)[C@H]1C ZINC000309411399 176497590 /nfs/dbraw/zinc/49/75/90/176497590.db2.gz WSGSAVLVICFOFM-URBCHYCLSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@@H]1C ZINC000309411402 385573429 /nfs/dbraw/zinc/57/34/29/385573429.db2.gz WSGSAVLVICFOFM-WFFHOREQSA-N 1 0 235.396 3.760 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCCCC2)CS1 ZINC000309411941 383977459 /nfs/dbraw/zinc/97/74/59/383977459.db2.gz YAUFNEDPYMOQSW-CHWSQXEVSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CS1 ZINC000309411943 383976473 /nfs/dbraw/zinc/97/64/73/383976473.db2.gz YAUFNEDPYMOQSW-OLZOCXBDSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCCCC2)CS1 ZINC000309411945 526738198 /nfs/dbraw/zinc/73/81/98/526738198.db2.gz YAUFNEDPYMOQSW-QWHCGFSZSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCCCC2)CS1 ZINC000309411948 383977045 /nfs/dbraw/zinc/97/70/45/383977045.db2.gz YAUFNEDPYMOQSW-STQMWFEESA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309412379 383976565 /nfs/dbraw/zinc/97/65/65/383976565.db2.gz BYQQFWMJQWLOIE-CHWSQXEVSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309412383 529228182 /nfs/dbraw/zinc/22/81/82/529228182.db2.gz BYQQFWMJQWLOIE-OLZOCXBDSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309412386 383976820 /nfs/dbraw/zinc/97/68/20/383976820.db2.gz BYQQFWMJQWLOIE-QWHCGFSZSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309412390 529227051 /nfs/dbraw/zinc/22/70/51/529227051.db2.gz BYQQFWMJQWLOIE-STQMWFEESA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H]([NH2+]CCSCC)c1ccccc1 ZINC000309412498 385573492 /nfs/dbraw/zinc/57/34/92/385573492.db2.gz VTHVWXQUTHCCDB-AWEZNQCLSA-N 1 0 237.412 3.871 20 0 BHADRO CCC[C@@H]([NH2+]CCSCC)c1ccccc1 ZINC000309412501 385574353 /nfs/dbraw/zinc/57/43/53/385574353.db2.gz VTHVWXQUTHCCDB-CQSZACIVSA-N 1 0 237.412 3.871 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000309412621 383977109 /nfs/dbraw/zinc/97/71/09/383977109.db2.gz CBTBJZYPHAJALL-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000309412622 383976447 /nfs/dbraw/zinc/97/64/47/383976447.db2.gz CBTBJZYPHAJALL-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000309412623 383978638 /nfs/dbraw/zinc/97/86/38/383978638.db2.gz CBTBJZYPHAJALL-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000309412624 383978481 /nfs/dbraw/zinc/97/84/81/383978481.db2.gz CBTBJZYPHAJALL-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)=CCC[NH2+]C/C=C\c1ccccc1 ZINC000309413676 383980710 /nfs/dbraw/zinc/98/07/10/383980710.db2.gz YKCUZOMKKBWFBX-XFFZJAGNSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)=CCC[NH2+]C/C=C/c1ccccc1 ZINC000309413677 383981150 /nfs/dbraw/zinc/98/11/50/383981150.db2.gz YKCUZOMKKBWFBX-YRNVUSSQSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000309414672 188168627 /nfs/dbraw/zinc/16/86/27/188168627.db2.gz YOIKHGHUYHOMHM-GHMZBOCLSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000309414673 385575224 /nfs/dbraw/zinc/57/52/24/385575224.db2.gz YOIKHGHUYHOMHM-MNOVXSKESA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000309414675 385575445 /nfs/dbraw/zinc/57/54/45/385575445.db2.gz YOIKHGHUYHOMHM-QWRGUYRKSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000309414676 385575001 /nfs/dbraw/zinc/57/50/01/385575001.db2.gz YOIKHGHUYHOMHM-WDEREUQCSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)([NH2+]CC1CCC1)c1cccc(Cl)c1 ZINC000309414683 527290728 /nfs/dbraw/zinc/29/07/28/527290728.db2.gz YOORUVFUHCGGKN-UHFFFAOYSA-N 1 0 237.774 3.965 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309415592 383977242 /nfs/dbraw/zinc/97/72/42/383977242.db2.gz YRCHZKGAENNPAD-NEPJUHHUSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309415594 383976830 /nfs/dbraw/zinc/97/68/30/383976830.db2.gz YRCHZKGAENNPAD-NWDGAFQWSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309415596 383976646 /nfs/dbraw/zinc/97/66/46/383976646.db2.gz YRCHZKGAENNPAD-RYUDHWBXSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309415598 527671189 /nfs/dbraw/zinc/67/11/89/527671189.db2.gz YRCHZKGAENNPAD-VXGBXAGGSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000309415614 350377879 /nfs/dbraw/zinc/37/78/79/350377879.db2.gz YRYHJEVHVMHRTR-AWEZNQCLSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000309415615 350377728 /nfs/dbraw/zinc/37/77/28/350377728.db2.gz YRYHJEVHVMHRTR-CQSZACIVSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)ccc1F ZINC000309416468 347057570 /nfs/dbraw/zinc/05/75/70/347057570.db2.gz YULBJNWGIAZEBR-UHFFFAOYSA-N 1 0 223.335 3.658 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)C2)CS1 ZINC000309416652 383983843 /nfs/dbraw/zinc/98/38/43/383983843.db2.gz YXJQUCRRNVKRCH-RFGFWPKPSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](C)C2)CS1 ZINC000309416655 383983499 /nfs/dbraw/zinc/98/34/99/383983499.db2.gz YXJQUCRRNVKRCH-RQJABVFESA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](C)C2)CS1 ZINC000309416659 527873168 /nfs/dbraw/zinc/87/31/68/527873168.db2.gz YXJQUCRRNVKRCH-XJFOESAGSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)C2)CS1 ZINC000309416662 527884412 /nfs/dbraw/zinc/88/44/12/527884412.db2.gz YXJQUCRRNVKRCH-ZOBORPQBSA-N 1 0 241.444 3.542 20 0 BHADRO CC1(C)CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000309417828 383983313 /nfs/dbraw/zinc/98/33/13/383983313.db2.gz JLEJMQZJUGGIOG-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]CCc2cccc(Cl)c2)C1 ZINC000309417927 383983519 /nfs/dbraw/zinc/98/35/19/383983519.db2.gz JNMWCLWQICBQLW-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc2ccccc2s1 ZINC000309419372 383983709 /nfs/dbraw/zinc/98/37/09/383983709.db2.gz ZIUPPFGAIOLPPV-UHFFFAOYSA-N 1 0 231.364 3.957 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309419810 490112899 /nfs/dbraw/zinc/11/28/99/490112899.db2.gz DIIJKOYSCJKTBH-MBJXGIAVSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309419811 490113320 /nfs/dbraw/zinc/11/33/20/490113320.db2.gz DIIJKOYSCJKTBH-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309419812 490112822 /nfs/dbraw/zinc/11/28/22/490112822.db2.gz DIIJKOYSCJKTBH-QSLWVIQJSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309419813 529216813 /nfs/dbraw/zinc/21/68/13/529216813.db2.gz DIIJKOYSCJKTBH-RKQHYHRCSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000309420214 487681126 /nfs/dbraw/zinc/68/11/26/487681126.db2.gz ZLQDQJDVVJBLFQ-UHFFFAOYSA-N 1 0 241.737 3.925 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C(C)(C)C)c(C)o1 ZINC000309420288 633044858 /nfs/dbraw/zinc/04/48/58/633044858.db2.gz ZMVXIFPTSBVVKO-JTQLQIEISA-N 1 0 223.360 3.668 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)c(C)o1 ZINC000309420291 632046206 /nfs/dbraw/zinc/04/62/06/632046206.db2.gz ZMVXIFPTSBVVKO-SNVBAGLBSA-N 1 0 223.360 3.668 20 0 BHADRO CCCc1cccc(C[NH2+]C2(C)CCC2)c1 ZINC000309420747 358449623 /nfs/dbraw/zinc/44/96/23/358449623.db2.gz DNAHDDYYVZDQOA-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000309421077 323402959 /nfs/dbraw/zinc/40/29/59/323402959.db2.gz JVRSZVPZSUWBDG-DZGCQCFKSA-N 1 0 215.340 3.836 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000309421082 323403425 /nfs/dbraw/zinc/40/34/25/323403425.db2.gz JVRSZVPZSUWBDG-HIFRSBDPSA-N 1 0 215.340 3.836 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000309421087 387671385 /nfs/dbraw/zinc/67/13/85/387671385.db2.gz JVRSZVPZSUWBDG-UKRRQHHQSA-N 1 0 215.340 3.836 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000309421093 387670722 /nfs/dbraw/zinc/67/07/22/387670722.db2.gz JVRSZVPZSUWBDG-ZFWWWQNUSA-N 1 0 215.340 3.836 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000309421119 384036297 /nfs/dbraw/zinc/03/62/97/384036297.db2.gz JVWVSSONSDFKMX-CQDKDKBSSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000309421124 322903424 /nfs/dbraw/zinc/90/34/24/322903424.db2.gz JVWVSSONSDFKMX-GLQYFDAESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000309421130 384040476 /nfs/dbraw/zinc/04/04/76/384040476.db2.gz JVWVSSONSDFKMX-NILFDRSVSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000309421134 322903442 /nfs/dbraw/zinc/90/34/42/322903442.db2.gz JVWVSSONSDFKMX-TUKIKUTGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]1C ZINC000309421191 384037660 /nfs/dbraw/zinc/03/76/60/384037660.db2.gz XYWOUSIWDBVGOY-GYSYKLTISA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]1C ZINC000309421195 322903361 /nfs/dbraw/zinc/90/33/61/322903361.db2.gz XYWOUSIWDBVGOY-JTNHKYCSSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H]1C ZINC000309421198 384037726 /nfs/dbraw/zinc/03/77/26/384037726.db2.gz XYWOUSIWDBVGOY-SUNKGSAMSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@H]1C ZINC000309421201 384038238 /nfs/dbraw/zinc/03/82/38/384038238.db2.gz XYWOUSIWDBVGOY-UHIISALHSA-N 1 0 237.774 3.517 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000309421859 384047299 /nfs/dbraw/zinc/04/72/99/384047299.db2.gz ZVCSFEGIVPDBAV-BPLDGKMQSA-N 1 0 217.356 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000309421861 528971734 /nfs/dbraw/zinc/97/17/34/528971734.db2.gz ZVCSFEGIVPDBAV-QEJZJMRPSA-N 1 0 217.356 3.567 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000309422400 384049127 /nfs/dbraw/zinc/04/91/27/384049127.db2.gz KLFDJQZOWJVWNP-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000309422402 384050719 /nfs/dbraw/zinc/05/07/19/384050719.db2.gz KLFDJQZOWJVWNP-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000309422404 529032006 /nfs/dbraw/zinc/03/20/06/529032006.db2.gz KLFDJQZOWJVWNP-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000309422406 384049192 /nfs/dbraw/zinc/04/91/92/384049192.db2.gz KLFDJQZOWJVWNP-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCC1 ZINC000309422573 384050713 /nfs/dbraw/zinc/05/07/13/384050713.db2.gz DWCRTQHDNBKAHK-FPMFFAJLSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CCC1 ZINC000309422574 529211544 /nfs/dbraw/zinc/21/15/44/529211544.db2.gz DWCRTQHDNBKAHK-IACUBPJLSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CCC1 ZINC000309422575 384049455 /nfs/dbraw/zinc/04/94/55/384049455.db2.gz DWCRTQHDNBKAHK-KWCYVHTRSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CCC1 ZINC000309422576 384041414 /nfs/dbraw/zinc/04/14/14/384041414.db2.gz DWCRTQHDNBKAHK-MRVWCRGKSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)C1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000309422869 527645884 /nfs/dbraw/zinc/64/58/84/527645884.db2.gz BFZJDMLSPBRHIS-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C\Cl)cc(C)c1F ZINC000309423244 633051690 /nfs/dbraw/zinc/05/16/90/633051690.db2.gz KBCOQPPYPQJRRE-DOGVGXBMSA-N 1 0 241.737 3.846 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C/Cl)cc(C)c1F ZINC000309423256 633052378 /nfs/dbraw/zinc/05/23/78/633052378.db2.gz KBCOQPPYPQJRRE-SGUJLRQBSA-N 1 0 241.737 3.846 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C\Cl)cc(C)c1F ZINC000309423258 633052288 /nfs/dbraw/zinc/05/22/88/633052288.db2.gz KBCOQPPYPQJRRE-WYGGZMRJSA-N 1 0 241.737 3.846 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C/Cl)cc(C)c1F ZINC000309423262 633051477 /nfs/dbraw/zinc/05/14/77/633051477.db2.gz KBCOQPPYPQJRRE-ZWNMCFTASA-N 1 0 241.737 3.846 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000309423476 384046270 /nfs/dbraw/zinc/04/62/70/384046270.db2.gz KNHNRLUHGLEKLU-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000309423480 384046260 /nfs/dbraw/zinc/04/62/60/384046260.db2.gz KNHNRLUHGLEKLU-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000309423667 384046014 /nfs/dbraw/zinc/04/60/14/384046014.db2.gz DYAZQUSCBWVQNU-BZPMIXESSA-N 1 0 223.335 3.516 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000309423668 384047821 /nfs/dbraw/zinc/04/78/21/384047821.db2.gz DYAZQUSCBWVQNU-DYEKYZERSA-N 1 0 223.335 3.516 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000309423669 517817688 /nfs/dbraw/zinc/81/76/88/517817688.db2.gz DYAZQUSCBWVQNU-OBJOEFQTSA-N 1 0 223.335 3.516 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000309423670 384046745 /nfs/dbraw/zinc/04/67/45/384046745.db2.gz DYAZQUSCBWVQNU-SCRDCRAPSA-N 1 0 223.335 3.516 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cs1 ZINC000309424843 183352019 /nfs/dbraw/zinc/35/20/19/183352019.db2.gz BLLBYTRXBGNESY-BFHYXJOUSA-N 1 0 235.396 3.807 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cs1 ZINC000309424846 183353397 /nfs/dbraw/zinc/35/33/97/183353397.db2.gz BLLBYTRXBGNESY-HZSPNIEDSA-N 1 0 235.396 3.807 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cs1 ZINC000309424848 183351815 /nfs/dbraw/zinc/35/18/15/183351815.db2.gz BLLBYTRXBGNESY-MELADBBJSA-N 1 0 235.396 3.807 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cs1 ZINC000309424851 183353317 /nfs/dbraw/zinc/35/33/17/183353317.db2.gz BLLBYTRXBGNESY-MGPQQGTHSA-N 1 0 235.396 3.807 20 0 BHADRO Cc1sccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000309425766 387666565 /nfs/dbraw/zinc/66/65/65/387666565.db2.gz LTDNSXZFYXUZAE-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000309426036 387666419 /nfs/dbraw/zinc/66/64/19/387666419.db2.gz ARGUZFWINHNDDX-GFCCVEGCSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000309426037 387667052 /nfs/dbraw/zinc/66/70/52/387667052.db2.gz ARGUZFWINHNDDX-LBPRGKRZSA-N 1 0 215.340 3.588 20 0 BHADRO C[C@H](C[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000309426051 347059663 /nfs/dbraw/zinc/05/96/63/347059663.db2.gz ARMIMTSXQQEPQK-GFCCVEGCSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000309426052 347059747 /nfs/dbraw/zinc/05/97/47/347059747.db2.gz ARMIMTSXQQEPQK-LBPRGKRZSA-N 1 0 221.344 3.586 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309427447 384047128 /nfs/dbraw/zinc/04/71/28/384047128.db2.gz AXLYIONVHQXCLN-GFCCVEGCSA-N 1 0 237.774 3.999 20 0 BHADRO CC(C)=CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309427449 527443524 /nfs/dbraw/zinc/44/35/24/527443524.db2.gz AXLYIONVHQXCLN-LBPRGKRZSA-N 1 0 237.774 3.999 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309427521 384047476 /nfs/dbraw/zinc/04/74/76/384047476.db2.gz AZAYKOZPMDVDOP-AWEZNQCLSA-N 1 0 217.356 3.920 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1c(C)cccc1C ZINC000309427523 527445136 /nfs/dbraw/zinc/44/51/36/527445136.db2.gz AZAYKOZPMDVDOP-CQSZACIVSA-N 1 0 217.356 3.920 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1CCCCCC1 ZINC000309428254 384051360 /nfs/dbraw/zinc/05/13/60/384051360.db2.gz BBCUPJSWVFHJMM-GFCCVEGCSA-N 1 0 221.344 3.523 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1CCCCCC1 ZINC000309428255 534258685 /nfs/dbraw/zinc/25/86/85/534258685.db2.gz BBCUPJSWVFHJMM-LBPRGKRZSA-N 1 0 221.344 3.523 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCCF)cc1 ZINC000309431556 384076601 /nfs/dbraw/zinc/07/66/01/384076601.db2.gz GGQLVVPBASUFFU-LBPRGKRZSA-N 1 0 223.335 3.649 20 0 BHADRO c1cc(C[NH2+]CCC2=CCCCCC2)co1 ZINC000309432950 633066666 /nfs/dbraw/zinc/06/66/66/633066666.db2.gz ZODVGNYRLASBQU-UHFFFAOYSA-N 1 0 219.328 3.650 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](C)CC(C)C ZINC000309434729 384074908 /nfs/dbraw/zinc/07/49/08/384074908.db2.gz GYFACXRMCAZEIF-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](C)CC(C)C ZINC000309434730 256525358 /nfs/dbraw/zinc/52/53/58/256525358.db2.gz GYFACXRMCAZEIF-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)CC(C)C ZINC000309434732 384076046 /nfs/dbraw/zinc/07/60/46/384076046.db2.gz GYFACXRMCAZEIF-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)CC(C)C ZINC000309434733 256525405 /nfs/dbraw/zinc/52/54/05/256525405.db2.gz GYFACXRMCAZEIF-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000309435319 384074951 /nfs/dbraw/zinc/07/49/51/384074951.db2.gz HCRMHBXEYOVGNI-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000309435321 384074875 /nfs/dbraw/zinc/07/48/75/384074875.db2.gz HCRMHBXEYOVGNI-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309435323 384075943 /nfs/dbraw/zinc/07/59/43/384075943.db2.gz HCRMHBXEYOVGNI-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309435325 384076349 /nfs/dbraw/zinc/07/63/49/384076349.db2.gz HCRMHBXEYOVGNI-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO C(CC1CCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000309435592 384075568 /nfs/dbraw/zinc/07/55/68/384075568.db2.gz ZYHWJOXFPDENGP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CCC(C)(C)c1csc([C@@H]2CCCC[NH2+]2)n1 ZINC000309437672 386010688 /nfs/dbraw/zinc/01/06/88/386010688.db2.gz YTPNGAOWHCKDKE-JTQLQIEISA-N 1 0 238.400 3.645 20 0 BHADRO CCC(C)(C)c1csc([C@H]2CCCC[NH2+]2)n1 ZINC000309437677 386010838 /nfs/dbraw/zinc/01/08/38/386010838.db2.gz YTPNGAOWHCKDKE-SNVBAGLBSA-N 1 0 238.400 3.645 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1 ZINC000309438882 385582056 /nfs/dbraw/zinc/58/20/56/385582056.db2.gz NMCVNQZNILSPIR-BPNCWPANSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1 ZINC000309438883 385581894 /nfs/dbraw/zinc/58/18/94/385581894.db2.gz NMCVNQZNILSPIR-DDTOSNHZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1 ZINC000309438884 385582119 /nfs/dbraw/zinc/58/21/19/385582119.db2.gz NMCVNQZNILSPIR-LEWSCRJBSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1 ZINC000309438885 385581760 /nfs/dbraw/zinc/58/17/60/385581760.db2.gz NMCVNQZNILSPIR-SWHYSGLUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309440048 384078411 /nfs/dbraw/zinc/07/84/11/384078411.db2.gz IHRDAOBVGCTJSD-CYBMUJFWSA-N 1 0 223.335 3.568 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309440049 384078692 /nfs/dbraw/zinc/07/86/92/384078692.db2.gz IHRDAOBVGCTJSD-ZDUSSCGKSA-N 1 0 223.335 3.568 20 0 BHADRO CCC(CC)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000309441411 384078392 /nfs/dbraw/zinc/07/83/92/384078392.db2.gz IPWJSLBFVIQPEU-CTYIDZIISA-N 1 0 217.356 3.711 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309442193 491148365 /nfs/dbraw/zinc/14/83/65/491148365.db2.gz OHTPGUOXLIZTRV-HZSPNIEDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309442195 491148311 /nfs/dbraw/zinc/14/83/11/491148311.db2.gz OHTPGUOXLIZTRV-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309442197 491055101 /nfs/dbraw/zinc/05/51/01/491055101.db2.gz OHTPGUOXLIZTRV-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309442199 491148332 /nfs/dbraw/zinc/14/83/32/491148332.db2.gz OHTPGUOXLIZTRV-RDBSUJKOSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1C ZINC000309443415 322904428 /nfs/dbraw/zinc/90/44/28/322904428.db2.gz OWTYGTNPVJBBIH-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1C ZINC000309443416 322904184 /nfs/dbraw/zinc/90/41/84/322904184.db2.gz OWTYGTNPVJBBIH-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO CCCC(C)(C)[NH2+]CCc1ccc(C)cc1 ZINC000309443640 350498136 /nfs/dbraw/zinc/49/81/36/350498136.db2.gz JFHFOJFHSUESMF-UHFFFAOYSA-N 1 0 219.372 3.706 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC2(C)CC2)c(C)s1 ZINC000309444689 491148353 /nfs/dbraw/zinc/14/83/53/491148353.db2.gz LBEJYQIEJRWZRB-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC2(C)CC2)c(C)s1 ZINC000309444692 491148329 /nfs/dbraw/zinc/14/83/29/491148329.db2.gz LBEJYQIEJRWZRB-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO CC(C)=CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000309445321 384073595 /nfs/dbraw/zinc/07/35/95/384073595.db2.gz LDUBZWKMKIJAFD-AWEZNQCLSA-N 1 0 217.356 3.736 20 0 BHADRO CC(C)=CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000309445323 256525188 /nfs/dbraw/zinc/52/51/88/256525188.db2.gz LDUBZWKMKIJAFD-CQSZACIVSA-N 1 0 217.356 3.736 20 0 BHADRO CC1(C)CC([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000309445378 384076210 /nfs/dbraw/zinc/07/62/10/384076210.db2.gz LFDXQAVLHMYEBJ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1occc1C ZINC000309445575 256525293 /nfs/dbraw/zinc/52/52/93/256525293.db2.gz MUVLCLAOLRGXDI-AAEUAGOBSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1occc1C ZINC000309445577 384075733 /nfs/dbraw/zinc/07/57/33/384075733.db2.gz MUVLCLAOLRGXDI-DGCLKSJQSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1occc1C ZINC000309445579 386250093 /nfs/dbraw/zinc/25/00/93/386250093.db2.gz MUVLCLAOLRGXDI-WCQYABFASA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1occc1C ZINC000309445581 384075274 /nfs/dbraw/zinc/07/52/74/384075274.db2.gz MUVLCLAOLRGXDI-YPMHNXCESA-N 1 0 223.360 3.892 20 0 BHADRO Cc1ccoc1CNc1cc[nH+]c(C)c1Cl ZINC000309445624 385587368 /nfs/dbraw/zinc/58/73/68/385587368.db2.gz MVKCWHNPRTUQMZ-UHFFFAOYSA-N 1 0 236.702 3.557 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC12CCCC2 ZINC000309445763 323408488 /nfs/dbraw/zinc/40/84/88/323408488.db2.gz LGEAWWYMPMLEJV-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC12CCCC2 ZINC000309445765 323408426 /nfs/dbraw/zinc/40/84/26/323408426.db2.gz LGEAWWYMPMLEJV-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC12CCCC2 ZINC000309445767 323408375 /nfs/dbraw/zinc/40/83/75/323408375.db2.gz LGEAWWYMPMLEJV-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC12CCCC2 ZINC000309445769 323408437 /nfs/dbraw/zinc/40/84/37/323408437.db2.gz LGEAWWYMPMLEJV-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)C1CCSCC1 ZINC000309445819 323082125 /nfs/dbraw/zinc/08/21/25/323082125.db2.gz LHIVMGBTECIJLA-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)C1CCSCC1 ZINC000309445820 323408471 /nfs/dbraw/zinc/40/84/71/323408471.db2.gz LHIVMGBTECIJLA-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)c1ccccc1 ZINC000309446331 633080669 /nfs/dbraw/zinc/08/06/69/633080669.db2.gz LMOZULUHBQGBDS-MQGYJPLLSA-N 1 0 237.774 3.695 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)C(C)(C)c1ccccc1 ZINC000309446332 633081132 /nfs/dbraw/zinc/08/11/32/633081132.db2.gz LMOZULUHBQGBDS-UMAGTOLTSA-N 1 0 237.774 3.695 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000309446863 256525290 /nfs/dbraw/zinc/52/52/90/256525290.db2.gz LPACYBJTGKPTJJ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)s1 ZINC000309446877 384072874 /nfs/dbraw/zinc/07/28/74/384072874.db2.gz LPISMXWSQILEER-LLVKDONJSA-N 1 0 241.375 3.989 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)s1 ZINC000309447254 385586421 /nfs/dbraw/zinc/58/64/21/385586421.db2.gz LPISMXWSQILEER-NSHDSACASA-N 1 0 241.375 3.989 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000309447282 487967302 /nfs/dbraw/zinc/96/73/02/487967302.db2.gz LQMZEGLMDQIWRG-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000309447283 487967171 /nfs/dbraw/zinc/96/71/71/487967171.db2.gz LQMZEGLMDQIWRG-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC1CCC(C)(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000309447294 168150673 /nfs/dbraw/zinc/15/06/73/168150673.db2.gz LQWBSRPRONWCRR-MOKVOYLWSA-N 1 0 241.444 3.546 20 0 BHADRO CC1CCC(C)(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000309447295 168150682 /nfs/dbraw/zinc/15/06/82/168150682.db2.gz LQWBSRPRONWCRR-ROKHWSDSSA-N 1 0 241.444 3.546 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000309447773 491148421 /nfs/dbraw/zinc/14/84/21/491148421.db2.gz KHNQGUOXDHBQML-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000309447774 491098958 /nfs/dbraw/zinc/09/89/58/491098958.db2.gz KHNQGUOXDHBQML-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)ccc1F ZINC000309448894 633082986 /nfs/dbraw/zinc/08/29/86/633082986.db2.gz LZSZEBDVMQHMEK-CHIMOYNISA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)ccc1F ZINC000309448896 633082926 /nfs/dbraw/zinc/08/29/26/633082926.db2.gz LZSZEBDVMQHMEK-NURSFMCSSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)ccc1F ZINC000309448897 633083373 /nfs/dbraw/zinc/08/33/73/633083373.db2.gz LZSZEBDVMQHMEK-OLUVUFQESA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)ccc1F ZINC000309448899 633919758 /nfs/dbraw/zinc/91/97/58/633919758.db2.gz LZSZEBDVMQHMEK-PUYPPJJSSA-N 1 0 221.319 3.583 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC2(F)F)[C@H]1C ZINC000309448905 491148476 /nfs/dbraw/zinc/14/84/76/491148476.db2.gz LZVZOPLPTMJWJV-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC2(F)F)[C@H]1C ZINC000309448907 491148517 /nfs/dbraw/zinc/14/85/17/491148517.db2.gz LZVZOPLPTMJWJV-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC2(F)F)[C@@H]1C ZINC000309448908 491148538 /nfs/dbraw/zinc/14/85/38/491148538.db2.gz LZVZOPLPTMJWJV-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC2(F)F)[C@@H]1C ZINC000309448909 491148543 /nfs/dbraw/zinc/14/85/43/491148543.db2.gz LZVZOPLPTMJWJV-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1cc2ccccc2o1 ZINC000309448957 633918822 /nfs/dbraw/zinc/91/88/22/633918822.db2.gz MBJVKWNZNDREDJ-ISGFRBBESA-N 1 0 235.714 3.836 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1cc2ccccc2o1 ZINC000309448958 633083526 /nfs/dbraw/zinc/08/35/26/633083526.db2.gz MBJVKWNZNDREDJ-VAWSOJLPSA-N 1 0 235.714 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccc(F)c1 ZINC000309448989 385584230 /nfs/dbraw/zinc/58/42/30/385584230.db2.gz MCNXGSCGNBYITL-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cccc(F)c1 ZINC000309448990 385583958 /nfs/dbraw/zinc/58/39/58/385583958.db2.gz MCNXGSCGNBYITL-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO CCCC[NH2+]CCSCc1ccc(C)cc1 ZINC000309449212 633082338 /nfs/dbraw/zinc/08/23/38/633082338.db2.gz KQCZAFKDWONSHH-UHFFFAOYSA-N 1 0 237.412 3.618 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1F ZINC000309450232 633082264 /nfs/dbraw/zinc/08/22/64/633082264.db2.gz KWCBSYQGZJLSJQ-CMPLNLGQSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1F ZINC000309450233 632099732 /nfs/dbraw/zinc/09/97/32/632099732.db2.gz KWCBSYQGZJLSJQ-JQWIXIFHSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1F ZINC000309450234 633083078 /nfs/dbraw/zinc/08/30/78/633083078.db2.gz KWCBSYQGZJLSJQ-PWSUYJOCSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1F ZINC000309450235 633082365 /nfs/dbraw/zinc/08/23/65/633082365.db2.gz KWCBSYQGZJLSJQ-ZYHUDNBSSA-N 1 0 223.335 3.658 20 0 BHADRO CC1CCC(C)(C[NH2+]Cc2ccoc2)CC1 ZINC000309451032 633085131 /nfs/dbraw/zinc/08/51/31/633085131.db2.gz MPCPVRVRJPGBIP-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO CC(C)([NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC000309451869 323410739 /nfs/dbraw/zinc/41/07/39/323410739.db2.gz OMGNOGJDGLBHEV-UHFFFAOYSA-N 1 0 223.404 3.981 20 0 BHADRO C=Cc1ccc(CC[NH2+]C[C@H](C)CC)cc1 ZINC000309453270 384085012 /nfs/dbraw/zinc/08/50/12/384085012.db2.gz LRONMSJTGVFLIR-CYBMUJFWSA-N 1 0 217.356 3.508 20 0 BHADRO C=Cc1ccc(CC[NH2+]C[C@@H](C)CC)cc1 ZINC000309453272 384086459 /nfs/dbraw/zinc/08/64/59/384086459.db2.gz LRONMSJTGVFLIR-ZDUSSCGKSA-N 1 0 217.356 3.508 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)C1CCCCC1 ZINC000309453373 633085997 /nfs/dbraw/zinc/08/59/97/633085997.db2.gz MZYAJDGLOBSKCQ-NEPJUHHUSA-N 1 0 220.360 3.634 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccc[nH]1 ZINC000309453375 633086556 /nfs/dbraw/zinc/08/65/56/633086556.db2.gz MZYAJDGLOBSKCQ-NWDGAFQWSA-N 1 0 220.360 3.634 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccc[nH]1 ZINC000309453377 633085810 /nfs/dbraw/zinc/08/58/10/633085810.db2.gz MZYAJDGLOBSKCQ-RYUDHWBXSA-N 1 0 220.360 3.634 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccc[nH]1 ZINC000309453379 633086045 /nfs/dbraw/zinc/08/60/45/633086045.db2.gz MZYAJDGLOBSKCQ-VXGBXAGGSA-N 1 0 220.360 3.634 20 0 BHADRO CCSCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000309453682 633921038 /nfs/dbraw/zinc/92/10/38/633921038.db2.gz LTICCIMATDSIHQ-AWEZNQCLSA-N 1 0 237.412 3.655 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000309454467 229578873 /nfs/dbraw/zinc/57/88/73/229578873.db2.gz NHWKCKLWZYVFFK-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000309454468 229578798 /nfs/dbraw/zinc/57/87/98/229578798.db2.gz NHWKCKLWZYVFFK-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309455049 488092875 /nfs/dbraw/zinc/09/28/75/488092875.db2.gz NKJOAOSADUNYLK-AAEUAGOBSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309455050 398138017 /nfs/dbraw/zinc/13/80/17/398138017.db2.gz NKJOAOSADUNYLK-DGCLKSJQSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309455051 347066268 /nfs/dbraw/zinc/06/62/68/347066268.db2.gz NKJOAOSADUNYLK-WCQYABFASA-N 1 0 219.372 3.511 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309455052 347065969 /nfs/dbraw/zinc/06/59/69/347065969.db2.gz NKJOAOSADUNYLK-YPMHNXCESA-N 1 0 219.372 3.511 20 0 BHADRO CC1(CC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000309455565 168019960 /nfs/dbraw/zinc/01/99/60/168019960.db2.gz NNCZXPCPWIMLMV-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309456562 491148557 /nfs/dbraw/zinc/14/85/57/491148557.db2.gz NUMCLAJOANUBPI-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309456563 491148552 /nfs/dbraw/zinc/14/85/52/491148552.db2.gz NUMCLAJOANUBPI-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309456564 491148615 /nfs/dbraw/zinc/14/86/15/491148615.db2.gz NUMCLAJOANUBPI-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309456565 491148616 /nfs/dbraw/zinc/14/86/16/491148616.db2.gz NUMCLAJOANUBPI-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309457085 384086414 /nfs/dbraw/zinc/08/64/14/384086414.db2.gz NXBVVFVWFNWYOD-NEPJUHHUSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309457086 384087204 /nfs/dbraw/zinc/08/72/04/384087204.db2.gz NXBVVFVWFNWYOD-NWDGAFQWSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309457087 384085222 /nfs/dbraw/zinc/08/52/22/384085222.db2.gz NXBVVFVWFNWYOD-RYUDHWBXSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309457088 384085330 /nfs/dbraw/zinc/08/53/30/384085330.db2.gz NXBVVFVWFNWYOD-VXGBXAGGSA-N 1 0 237.412 3.623 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(Cl)c1 ZINC000309458249 384089027 /nfs/dbraw/zinc/08/90/27/384089027.db2.gz OCUDEDMCHZMTNZ-BIMULSAOSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(Cl)c1 ZINC000309458250 384088506 /nfs/dbraw/zinc/08/85/06/384088506.db2.gz OCUDEDMCHZMTNZ-TVYUQYBPSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(Cl)c1 ZINC000309458251 384088925 /nfs/dbraw/zinc/08/89/25/384088925.db2.gz OCUDEDMCHZMTNZ-XDTLVQLUSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(Cl)c1 ZINC000309458252 229579338 /nfs/dbraw/zinc/57/93/38/229579338.db2.gz OCUDEDMCHZMTNZ-ZWKOPEQDSA-N 1 0 241.737 3.881 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccccc1F ZINC000309459279 384088455 /nfs/dbraw/zinc/08/84/55/384088455.db2.gz OJMSZKNBFULVRW-GFCCVEGCSA-N 1 0 221.319 3.833 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccccc1F ZINC000309459280 384087899 /nfs/dbraw/zinc/08/78/99/384087899.db2.gz OJMSZKNBFULVRW-LBPRGKRZSA-N 1 0 221.319 3.833 20 0 BHADRO CC1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000309459855 168162300 /nfs/dbraw/zinc/16/23/00/168162300.db2.gz ONYHGHZCZXPDDU-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000309460936 527408161 /nfs/dbraw/zinc/40/81/61/527408161.db2.gz OVBJXBZVHMFWID-GFCCVEGCSA-N 1 0 221.319 3.833 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000309460937 527408500 /nfs/dbraw/zinc/40/85/00/527408500.db2.gz OVBJXBZVHMFWID-LBPRGKRZSA-N 1 0 221.319 3.833 20 0 BHADRO C[C@H](CC[NH2+]C(C)(C)CF)c1ccccc1 ZINC000309461392 384087700 /nfs/dbraw/zinc/08/77/00/384087700.db2.gz OXAJSHJMFXADRK-GFCCVEGCSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H](CC[NH2+]C(C)(C)CF)c1ccccc1 ZINC000309461394 533607418 /nfs/dbraw/zinc/60/74/18/533607418.db2.gz OXAJSHJMFXADRK-LBPRGKRZSA-N 1 0 223.335 3.518 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CCC2)oc1C ZINC000309461504 178222321 /nfs/dbraw/zinc/22/23/21/178222321.db2.gz OZBIGMPCBXUBIU-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CCC2)oc1C ZINC000309461505 178245309 /nfs/dbraw/zinc/24/53/09/178245309.db2.gz OZBIGMPCBXUBIU-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000309461661 385597315 /nfs/dbraw/zinc/59/73/15/385597315.db2.gz OCVRRXXORZSECO-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@H]1CCC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000309461662 385597350 /nfs/dbraw/zinc/59/73/50/385597350.db2.gz OCVRRXXORZSECO-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000309461663 385597758 /nfs/dbraw/zinc/59/77/58/385597758.db2.gz OCVRRXXORZSECO-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@H]1CCC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000309461664 385597683 /nfs/dbraw/zinc/59/76/83/385597683.db2.gz OCVRRXXORZSECO-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cc2c(s1)CCC2 ZINC000309462002 385593896 /nfs/dbraw/zinc/59/38/96/385593896.db2.gz PAWUNNWWUNAUKK-JTQLQIEISA-N 1 0 241.375 3.637 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cc2c(s1)CCC2 ZINC000309462003 385593808 /nfs/dbraw/zinc/59/38/08/385593808.db2.gz PAWUNNWWUNAUKK-SNVBAGLBSA-N 1 0 241.375 3.637 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000309462546 387801216 /nfs/dbraw/zinc/80/12/16/387801216.db2.gz PEDQLQUXZXKPCN-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000309462547 323412250 /nfs/dbraw/zinc/41/22/50/323412250.db2.gz PEDQLQUXZXKPCN-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000309462548 387802139 /nfs/dbraw/zinc/80/21/39/387802139.db2.gz PEDQLQUXZXKPCN-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000309462549 323412551 /nfs/dbraw/zinc/41/25/51/323412551.db2.gz PEDQLQUXZXKPCN-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000309462672 384088518 /nfs/dbraw/zinc/08/85/18/384088518.db2.gz OIDPYDFPYXLGAS-GXTWGEPZSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000309462673 384088953 /nfs/dbraw/zinc/08/89/53/384088953.db2.gz OIDPYDFPYXLGAS-JSGCOSHPSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000309462674 384089286 /nfs/dbraw/zinc/08/92/86/384089286.db2.gz OIDPYDFPYXLGAS-OCCSQVGLSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000309462676 529553433 /nfs/dbraw/zinc/55/34/33/529553433.db2.gz OIDPYDFPYXLGAS-TZMCWYRMSA-N 1 0 223.335 3.702 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccco1 ZINC000309463808 175912628 /nfs/dbraw/zinc/91/26/28/175912628.db2.gz PKDIMFOUVJNSBC-IKWCTNDRSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccco1 ZINC000309463810 385593867 /nfs/dbraw/zinc/59/38/67/385593867.db2.gz PKDIMFOUVJNSBC-WTIISPKJSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccco1 ZINC000309463813 385593428 /nfs/dbraw/zinc/59/34/28/385593428.db2.gz PKDIMFOUVJNSBC-XVSSEFHLSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccco1 ZINC000309463815 385593556 /nfs/dbraw/zinc/59/35/56/385593556.db2.gz PKDIMFOUVJNSBC-YWPUVAFDSA-N 1 0 219.328 3.509 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cccs2)o1 ZINC000309465383 387803106 /nfs/dbraw/zinc/80/31/06/387803106.db2.gz PTIRUHNITJQUMJ-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cccs2)o1 ZINC000309465387 323412596 /nfs/dbraw/zinc/41/25/96/323412596.db2.gz PTIRUHNITJQUMJ-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309466051 633924137 /nfs/dbraw/zinc/92/41/37/633924137.db2.gz PXJBBSMRGDPWGZ-ILDUYXDCSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309466053 633107280 /nfs/dbraw/zinc/10/72/80/633107280.db2.gz PXJBBSMRGDPWGZ-VQXHTEKXSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309466380 384092561 /nfs/dbraw/zinc/09/25/61/384092561.db2.gz PLZNCWYDZOHLEH-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309466381 384090531 /nfs/dbraw/zinc/09/05/31/384090531.db2.gz PLZNCWYDZOHLEH-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309466382 528379698 /nfs/dbraw/zinc/37/96/98/528379698.db2.gz PLZNCWYDZOHLEH-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309466383 384090602 /nfs/dbraw/zinc/09/06/02/384090602.db2.gz PLZNCWYDZOHLEH-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCc1cnc(C[NH2+]C2(C)CCCCC2)s1 ZINC000309466414 347069909 /nfs/dbraw/zinc/06/99/09/347069909.db2.gz PNGBFESMZJALKZ-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000309467563 534201254 /nfs/dbraw/zinc/20/12/54/534201254.db2.gz WBSGMDZIBLPSHP-BIGNPOOSSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000309467572 384091809 /nfs/dbraw/zinc/09/18/09/384091809.db2.gz WBSGMDZIBLPSHP-FZQKWOKYSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000309467582 534201389 /nfs/dbraw/zinc/20/13/89/534201389.db2.gz WBSGMDZIBLPSHP-IIMNLJJBSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000309467590 534263478 /nfs/dbraw/zinc/26/34/78/534263478.db2.gz WBSGMDZIBLPSHP-OWYVNGRQSA-N 1 0 235.758 3.715 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000309467635 384090747 /nfs/dbraw/zinc/09/07/47/384090747.db2.gz QHAJVPNWYARZBM-LLVKDONJSA-N 1 0 241.375 3.989 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000309467636 384090846 /nfs/dbraw/zinc/09/08/46/384090846.db2.gz QHAJVPNWYARZBM-NSHDSACASA-N 1 0 241.375 3.989 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCC(C)(C)C)cs1 ZINC000309467734 180049616 /nfs/dbraw/zinc/04/96/16/180049616.db2.gz QJRUUNMFOOGLJS-JTQLQIEISA-N 1 0 240.416 3.928 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCC(C)(C)C)cs1 ZINC000309467736 180035936 /nfs/dbraw/zinc/03/59/36/180035936.db2.gz QJRUUNMFOOGLJS-SNVBAGLBSA-N 1 0 240.416 3.928 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309468406 384090633 /nfs/dbraw/zinc/09/06/33/384090633.db2.gz QBIPAKBPPHIYIT-GXTWGEPZSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309468407 384091850 /nfs/dbraw/zinc/09/18/50/384091850.db2.gz QBIPAKBPPHIYIT-JSGCOSHPSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309468408 384091928 /nfs/dbraw/zinc/09/19/28/384091928.db2.gz QBIPAKBPPHIYIT-OCCSQVGLSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309468409 384091411 /nfs/dbraw/zinc/09/14/11/384091411.db2.gz QBIPAKBPPHIYIT-TZMCWYRMSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000309469020 384090880 /nfs/dbraw/zinc/09/08/80/384090880.db2.gz QGERWAHKAPENKB-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000309469021 384090482 /nfs/dbraw/zinc/09/04/82/384090482.db2.gz QGERWAHKAPENKB-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000309469023 384092091 /nfs/dbraw/zinc/09/20/91/384092091.db2.gz QGERWAHKAPENKB-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000309469025 384092058 /nfs/dbraw/zinc/09/20/58/384092058.db2.gz QGERWAHKAPENKB-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCSCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309469473 385599177 /nfs/dbraw/zinc/59/91/77/385599177.db2.gz QHTRDLWMKGLTFY-LLVKDONJSA-N 1 0 241.375 3.538 20 0 BHADRO FCCCC[NH2+]Cc1cc2ccccc2s1 ZINC000309470595 384092497 /nfs/dbraw/zinc/09/24/97/384092497.db2.gz AKJZRMUVZNTNGC-UHFFFAOYSA-N 1 0 237.343 3.741 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309470917 384091557 /nfs/dbraw/zinc/09/15/57/384091557.db2.gz QYCZYQMWNSIBNJ-GHMZBOCLSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309470918 534029737 /nfs/dbraw/zinc/02/97/37/534029737.db2.gz QYCZYQMWNSIBNJ-MNOVXSKESA-N 1 0 235.758 3.575 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309470919 384092475 /nfs/dbraw/zinc/09/24/75/384092475.db2.gz QYCZYQMWNSIBNJ-QWRGUYRKSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309470920 229580493 /nfs/dbraw/zinc/58/04/93/229580493.db2.gz QYCZYQMWNSIBNJ-WDEREUQCSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)C(C)(C)C ZINC000309470953 384091701 /nfs/dbraw/zinc/09/17/01/384091701.db2.gz QZFZZHKPSUZKEC-LLVKDONJSA-N 1 0 239.790 3.907 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)C(C)(C)C ZINC000309470954 384091115 /nfs/dbraw/zinc/09/11/15/384091115.db2.gz QZFZZHKPSUZKEC-NSHDSACASA-N 1 0 239.790 3.907 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309471505 323415902 /nfs/dbraw/zinc/41/59/02/323415902.db2.gz RATCYSRCAZFIFE-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000309471508 387804884 /nfs/dbraw/zinc/80/48/84/387804884.db2.gz RATCYSRCAZFIFE-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000309471995 528896244 /nfs/dbraw/zinc/89/62/44/528896244.db2.gz QXGYGHSYHMBIRJ-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000309471996 528896042 /nfs/dbraw/zinc/89/60/42/528896042.db2.gz QXGYGHSYHMBIRJ-IHRRRGAJSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000309471997 384091289 /nfs/dbraw/zinc/09/12/89/384091289.db2.gz QXGYGHSYHMBIRJ-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000309471998 384092467 /nfs/dbraw/zinc/09/24/67/384092467.db2.gz QXGYGHSYHMBIRJ-MJBXVCDLSA-N 1 0 243.460 3.934 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000309472024 487973493 /nfs/dbraw/zinc/97/34/93/487973493.db2.gz QYJVIYYYYUDCJX-LLVKDONJSA-N 1 0 223.360 3.983 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000309472025 488095573 /nfs/dbraw/zinc/09/55/73/488095573.db2.gz QYJVIYYYYUDCJX-NSHDSACASA-N 1 0 223.360 3.983 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000309472095 384091788 /nfs/dbraw/zinc/09/17/88/384091788.db2.gz XFAGFAAJNJDMPZ-LLVKDONJSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000309472096 384091073 /nfs/dbraw/zinc/09/10/73/384091073.db2.gz XFAGFAAJNJDMPZ-NSHDSACASA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000309472164 347071486 /nfs/dbraw/zinc/07/14/86/347071486.db2.gz RDSHDWPZQCZOIS-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000309472167 350537179 /nfs/dbraw/zinc/53/71/79/350537179.db2.gz RDSHDWPZQCZOIS-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000309472170 347071574 /nfs/dbraw/zinc/07/15/74/347071574.db2.gz RDSHDWPZQCZOIS-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000309472172 347071457 /nfs/dbraw/zinc/07/14/57/347071457.db2.gz RDSHDWPZQCZOIS-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1cccs1 ZINC000309472895 384090618 /nfs/dbraw/zinc/09/06/18/384090618.db2.gz RHNWISJYEFHIQG-IKWCTNDRSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1cccs1 ZINC000309472897 384091174 /nfs/dbraw/zinc/09/11/74/384091174.db2.gz RHNWISJYEFHIQG-WTIISPKJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1cccs1 ZINC000309472899 384090626 /nfs/dbraw/zinc/09/06/26/384090626.db2.gz RHNWISJYEFHIQG-XVSSEFHLSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1cccs1 ZINC000309472902 384090433 /nfs/dbraw/zinc/09/04/33/384090433.db2.gz RHNWISJYEFHIQG-YWPUVAFDSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000309473590 384090565 /nfs/dbraw/zinc/09/05/65/384090565.db2.gz BERRERSPIQGMJK-UHFFFAOYSA-N 1 0 223.360 3.750 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccccc1 ZINC000309474222 175871932 /nfs/dbraw/zinc/87/19/32/175871932.db2.gz RNWNXADYFKSBIA-GFCCVEGCSA-N 1 0 221.319 3.620 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccccc1 ZINC000309474224 385602974 /nfs/dbraw/zinc/60/29/74/385602974.db2.gz RNWNXADYFKSBIA-LBPRGKRZSA-N 1 0 221.319 3.620 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000309474533 384092159 /nfs/dbraw/zinc/09/21/59/384092159.db2.gz RLUMDBSXDHBVMD-LLVKDONJSA-N 1 0 223.360 3.687 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000309474534 528805132 /nfs/dbraw/zinc/80/51/32/528805132.db2.gz RLUMDBSXDHBVMD-NSHDSACASA-N 1 0 223.360 3.687 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475068 387806156 /nfs/dbraw/zinc/80/61/56/387806156.db2.gz RTQGDMXQNDREKU-GXSJLCMTSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475069 387806837 /nfs/dbraw/zinc/80/68/37/387806837.db2.gz RTQGDMXQNDREKU-KOLCDFICSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475070 323415956 /nfs/dbraw/zinc/41/59/56/323415956.db2.gz RTQGDMXQNDREKU-MWLCHTKSSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475071 323415824 /nfs/dbraw/zinc/41/58/24/323415824.db2.gz RTQGDMXQNDREKU-ONGXEEELSA-N 1 0 229.270 3.508 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309475744 384092136 /nfs/dbraw/zinc/09/21/36/384092136.db2.gz RSUPWUCYAYICKX-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309475745 384091014 /nfs/dbraw/zinc/09/10/14/384091014.db2.gz RSUPWUCYAYICKX-UPJWGTAASA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309475746 384091655 /nfs/dbraw/zinc/09/16/55/384091655.db2.gz RSUPWUCYAYICKX-XQQFMLRXSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309475747 529210139 /nfs/dbraw/zinc/21/01/39/529210139.db2.gz RSUPWUCYAYICKX-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO Cc1csc(C[NH2+]CC(C)(C)C(C)(C)C)n1 ZINC000309475926 385607652 /nfs/dbraw/zinc/60/76/52/385607652.db2.gz BXNGEPJCBFARTB-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO CCSCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000309476240 384091864 /nfs/dbraw/zinc/09/18/64/384091864.db2.gz RTPUMQPWZQPMRL-KBPBESRZSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000309476242 384092232 /nfs/dbraw/zinc/09/22/32/384092232.db2.gz RTPUMQPWZQPMRL-KGLIPLIRSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000309476244 384091241 /nfs/dbraw/zinc/09/12/41/384091241.db2.gz RTPUMQPWZQPMRL-UONOGXRCSA-N 1 0 241.444 3.712 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000309476246 384090651 /nfs/dbraw/zinc/09/06/51/384090651.db2.gz RTPUMQPWZQPMRL-ZIAGYGMSSA-N 1 0 241.444 3.712 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000309476270 175913425 /nfs/dbraw/zinc/91/34/25/175913425.db2.gz SANQKGWRBDKSFY-NXEZZACHSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000309476272 176919610 /nfs/dbraw/zinc/91/96/10/176919610.db2.gz SANQKGWRBDKSFY-UWVGGRQHSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccs1 ZINC000309476275 385608614 /nfs/dbraw/zinc/60/86/14/385608614.db2.gz SANQKGWRBDKSFY-VHSXEESVSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccs1 ZINC000309476278 175924340 /nfs/dbraw/zinc/92/43/40/175924340.db2.gz SANQKGWRBDKSFY-ZJUUUORDSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@@](C)([NH2+]CC1(C)CCC1)c1nccs1 ZINC000309476863 171174517 /nfs/dbraw/zinc/17/45/17/171174517.db2.gz RYKSSZGAFOPZSH-CYBMUJFWSA-N 1 0 238.400 3.548 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309476938 384094631 /nfs/dbraw/zinc/09/46/31/384094631.db2.gz SAMNHKOKZBKLGO-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309476939 384094533 /nfs/dbraw/zinc/09/45/33/384094533.db2.gz SAMNHKOKZBKLGO-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309476940 384094305 /nfs/dbraw/zinc/09/43/05/384094305.db2.gz SAMNHKOKZBKLGO-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309477127 632101815 /nfs/dbraw/zinc/10/18/15/632101815.db2.gz CGEHVMJWLQCGRN-BZTHDZJNSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309477129 711698387 /nfs/dbraw/zinc/69/83/87/711698387.db2.gz CGEHVMJWLQCGRN-NNZPWHBESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309477132 633140053 /nfs/dbraw/zinc/14/00/53/633140053.db2.gz CGEHVMJWLQCGRN-RUOPDXTDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309477135 633140576 /nfs/dbraw/zinc/14/05/76/633140576.db2.gz CGEHVMJWLQCGRN-UWMJVVDFSA-N 1 0 221.388 3.733 20 0 BHADRO Clc1ccc(C2([NH2+]CC3CCC3)CC2)cc1 ZINC000309477174 384093365 /nfs/dbraw/zinc/09/33/65/384093365.db2.gz CHFQKDAIZJOIJU-UHFFFAOYSA-N 1 0 235.758 3.719 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309477355 528894254 /nfs/dbraw/zinc/89/42/54/528894254.db2.gz SAMNHKOKZBKLGO-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000309477488 529337881 /nfs/dbraw/zinc/33/78/81/529337881.db2.gz SCQWKYHOIKJOKB-GUTXKFCHSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000309477491 384094720 /nfs/dbraw/zinc/09/47/20/384094720.db2.gz SCQWKYHOIKJOKB-GZBFAFLISA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000309477492 384093442 /nfs/dbraw/zinc/09/34/42/384093442.db2.gz SCQWKYHOIKJOKB-NFAWXSAZSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000309477494 384094725 /nfs/dbraw/zinc/09/47/25/384094725.db2.gz SCQWKYHOIKJOKB-UMVBOHGHSA-N 1 0 217.356 3.568 20 0 BHADRO CC1(C)CC([NH2+]CCc2ccccc2Cl)C1 ZINC000309477648 384091211 /nfs/dbraw/zinc/09/12/11/384091211.db2.gz SIHZRSUASBHDLX-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000309479296 385605642 /nfs/dbraw/zinc/60/56/42/385605642.db2.gz AAVSZBRTRJCUNX-SREVYHEPSA-N 1 0 238.400 3.633 20 0 BHADRO CCCc1cccc(C[NH2+]C2CC(C)C2)c1 ZINC000309480103 384090517 /nfs/dbraw/zinc/09/05/17/384090517.db2.gz STZGDVOKWNADBA-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309480108 384092151 /nfs/dbraw/zinc/09/21/51/384092151.db2.gz SUDIDKSXGRDVPA-AXFHLTTASA-N 1 0 239.325 3.989 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309480109 384091235 /nfs/dbraw/zinc/09/12/35/384091235.db2.gz SUDIDKSXGRDVPA-DCAQKATOSA-N 1 0 239.325 3.989 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309480110 528894748 /nfs/dbraw/zinc/89/47/48/528894748.db2.gz SUDIDKSXGRDVPA-GARJFASQSA-N 1 0 239.325 3.989 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309480111 384091425 /nfs/dbraw/zinc/09/14/25/384091425.db2.gz SUDIDKSXGRDVPA-HBNTYKKESA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC000309480713 384094595 /nfs/dbraw/zinc/09/45/95/384094595.db2.gz SYQQWDYHTHTARV-CHWSQXEVSA-N 1 0 237.412 3.864 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC000309480715 384093631 /nfs/dbraw/zinc/09/36/31/384093631.db2.gz SYQQWDYHTHTARV-OLZOCXBDSA-N 1 0 237.412 3.864 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC000309480716 384094119 /nfs/dbraw/zinc/09/41/19/384094119.db2.gz SYQQWDYHTHTARV-QWHCGFSZSA-N 1 0 237.412 3.864 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC000309480717 384094253 /nfs/dbraw/zinc/09/42/53/384094253.db2.gz SYQQWDYHTHTARV-STQMWFEESA-N 1 0 237.412 3.864 20 0 BHADRO CSC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000309482359 175450942 /nfs/dbraw/zinc/45/09/42/175450942.db2.gz WYDUWNLYOWWKLJ-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCS[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309482683 322905104 /nfs/dbraw/zinc/90/51/04/322905104.db2.gz UGJIWMGDWKKJOJ-AAEUAGOBSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309482684 384096504 /nfs/dbraw/zinc/09/65/04/384096504.db2.gz UGJIWMGDWKKJOJ-DGCLKSJQSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309482685 384097645 /nfs/dbraw/zinc/09/76/45/384097645.db2.gz UGJIWMGDWKKJOJ-WCQYABFASA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309482686 322905133 /nfs/dbraw/zinc/90/51/33/322905133.db2.gz UGJIWMGDWKKJOJ-YPMHNXCESA-N 1 0 241.444 3.829 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC3CCC2CC3)CCC1 ZINC000309485034 633165210 /nfs/dbraw/zinc/16/52/10/633165210.db2.gz GBJNRCFWVUNUDL-JXQTWKCFSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CC3CCC2CC3)CCC1 ZINC000309485035 633165300 /nfs/dbraw/zinc/16/53/00/633165300.db2.gz GBJNRCFWVUNUDL-RUXDESIVSA-N 1 0 221.388 3.735 20 0 BHADRO FC(F)C1CC([NH2+]CCCC2CCCC2)C1 ZINC000309486256 632419482 /nfs/dbraw/zinc/41/94/82/632419482.db2.gz GNONGSAVIACKSJ-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO FC(F)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000309487824 633170295 /nfs/dbraw/zinc/17/02/95/633170295.db2.gz HGFPEYWNJCQKIZ-UHFFFAOYSA-N 1 0 229.314 3.510 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000309489135 491149605 /nfs/dbraw/zinc/14/96/05/491149605.db2.gz WMNFOXVKVCGUNI-GFCCVEGCSA-N 1 0 220.360 3.538 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000309489137 491149661 /nfs/dbraw/zinc/14/96/61/491149661.db2.gz WMNFOXVKVCGUNI-LBPRGKRZSA-N 1 0 220.360 3.538 20 0 BHADRO CCCC(CCC)[NH2+]CC(C)(C)COCC ZINC000309490904 527999061 /nfs/dbraw/zinc/99/90/61/527999061.db2.gz YFICIONDFFHRHZ-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000309492104 384097638 /nfs/dbraw/zinc/09/76/38/384097638.db2.gz IXPKPHAUYUZYSP-KBPBESRZSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000309492105 384097471 /nfs/dbraw/zinc/09/74/71/384097471.db2.gz IXPKPHAUYUZYSP-KGLIPLIRSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000309492106 534436801 /nfs/dbraw/zinc/43/68/01/534436801.db2.gz IXPKPHAUYUZYSP-UONOGXRCSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000309492107 384095891 /nfs/dbraw/zinc/09/58/91/384095891.db2.gz IXPKPHAUYUZYSP-ZIAGYGMSSA-N 1 0 227.367 3.827 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309492519 384096813 /nfs/dbraw/zinc/09/68/13/384096813.db2.gz XMTYUQKBZNQUNG-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000309492520 384097904 /nfs/dbraw/zinc/09/79/04/384097904.db2.gz XMTYUQKBZNQUNG-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309492521 384097249 /nfs/dbraw/zinc/09/72/49/384097249.db2.gz XMTYUQKBZNQUNG-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309492523 528638755 /nfs/dbraw/zinc/63/87/55/528638755.db2.gz XMTYUQKBZNQUNG-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CC(CC)C2)C1 ZINC000309493096 384096117 /nfs/dbraw/zinc/09/61/17/384096117.db2.gz XQUCBSCPDNZHMD-FKZOYECMSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+]C2CC(CC)C2)C1 ZINC000309493101 384097202 /nfs/dbraw/zinc/09/72/02/384097202.db2.gz XQUCBSCPDNZHMD-GNRIBBGQSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCC[C@@H]([NH2+]C2CC(CC)C2)C1 ZINC000309493106 529228732 /nfs/dbraw/zinc/22/87/32/529228732.db2.gz XQUCBSCPDNZHMD-HHTDUIENSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCC[C@H]([NH2+]C2CC(CC)C2)C1 ZINC000309493111 529231244 /nfs/dbraw/zinc/23/12/44/529231244.db2.gz XQUCBSCPDNZHMD-YIOUJQMASA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc(Cl)cn1 ZINC000309493867 387808751 /nfs/dbraw/zinc/80/87/51/387808751.db2.gz SVMBZPYBGBPTQS-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(Cl)cn1 ZINC000309493868 387810631 /nfs/dbraw/zinc/81/06/31/387810631.db2.gz SVMBZPYBGBPTQS-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCCOC(C)(C)C)C(C)(C)C ZINC000309493871 347077011 /nfs/dbraw/zinc/07/70/11/347077011.db2.gz SVQLWLAHCFJLRU-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CC2(C)CCC2)cs1 ZINC000309494321 172006546 /nfs/dbraw/zinc/00/65/46/172006546.db2.gz XZOLZDFQIZYTHB-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CC2(C)CCC2)cs1 ZINC000309494324 172002593 /nfs/dbraw/zinc/00/25/93/172002593.db2.gz XZOLZDFQIZYTHB-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)s1 ZINC000309494706 632421321 /nfs/dbraw/zinc/42/13/21/632421321.db2.gz JVBJZSLTYPVACK-ORHYLEIMSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC3CCC2CC3)s1 ZINC000309494707 632420794 /nfs/dbraw/zinc/42/07/94/632420794.db2.gz JVBJZSLTYPVACK-YIZWMMSDSA-N 1 0 235.396 3.725 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC=CCC1 ZINC000309495417 384098820 /nfs/dbraw/zinc/09/88/20/384098820.db2.gz YFPBWKZVHHEUJV-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CC=CCC1 ZINC000309495419 529459338 /nfs/dbraw/zinc/45/93/38/529459338.db2.gz YFPBWKZVHHEUJV-MNOVXSKESA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CC=CCC1 ZINC000309495421 384098383 /nfs/dbraw/zinc/09/83/83/384098383.db2.gz YFPBWKZVHHEUJV-QWRGUYRKSA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H]1CC=CCC1 ZINC000309495423 384098606 /nfs/dbraw/zinc/09/86/06/384098606.db2.gz YFPBWKZVHHEUJV-WDEREUQCSA-N 1 0 235.293 3.663 20 0 BHADRO CC1(C)CCC(C[NH2+]C2(C3CC3)CC2)CC1 ZINC000309495583 387810777 /nfs/dbraw/zinc/81/07/77/387810777.db2.gz TVQVEBSMQAEEJN-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)C1C(C)(C)C1(C)C ZINC000309496312 384099113 /nfs/dbraw/zinc/09/91/13/384099113.db2.gz UAEFRMJFDYLXQO-MRVPVSSYSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)C1C(C)(C)C1(C)C ZINC000309496316 384098399 /nfs/dbraw/zinc/09/83/99/384098399.db2.gz UAEFRMJFDYLXQO-QMMMGPOBSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1nccs1 ZINC000309496501 384098829 /nfs/dbraw/zinc/09/88/29/384098829.db2.gz KISXVYMGYLCRCK-JTQLQIEISA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1nccs1 ZINC000309496502 384098638 /nfs/dbraw/zinc/09/86/38/384098638.db2.gz KISXVYMGYLCRCK-SNVBAGLBSA-N 1 0 240.416 3.866 20 0 BHADRO C[C@H](C[NH2+]CCC1(C)CC1)c1ccccc1 ZINC000309497076 385618553 /nfs/dbraw/zinc/61/85/53/385618553.db2.gz UDZVZZJTGPGBIJ-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309497246 384098968 /nfs/dbraw/zinc/09/89/68/384098968.db2.gz YTJPJQCVHLRKFF-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309497247 384099072 /nfs/dbraw/zinc/09/90/72/384099072.db2.gz YTJPJQCVHLRKFF-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309497248 384098753 /nfs/dbraw/zinc/09/87/53/384098753.db2.gz YTJPJQCVHLRKFF-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309497249 384098572 /nfs/dbraw/zinc/09/85/72/384098572.db2.gz YTJPJQCVHLRKFF-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+]CCC1(C)CC1)c1ccccc1 ZINC000309497532 385624661 /nfs/dbraw/zinc/62/46/61/385624661.db2.gz UDZVZZJTGPGBIJ-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000309497702 528552774 /nfs/dbraw/zinc/55/27/74/528552774.db2.gz YWXJTWWEJWGJFI-UHFFFAOYSA-N 1 0 243.753 3.801 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccoc1 ZINC000309498339 632416069 /nfs/dbraw/zinc/41/60/69/632416069.db2.gz UIRIGFCQERXRFT-GXTWGEPZSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccoc1 ZINC000309498346 632417344 /nfs/dbraw/zinc/41/73/44/632417344.db2.gz UIRIGFCQERXRFT-TZMCWYRMSA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000309498798 322905054 /nfs/dbraw/zinc/90/50/54/322905054.db2.gz ZEZPFASXVZBQHF-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000309498802 322905091 /nfs/dbraw/zinc/90/50/91/322905091.db2.gz ZEZPFASXVZBQHF-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309498856 385624733 /nfs/dbraw/zinc/62/47/33/385624733.db2.gz KZWCWTVWJWEGTL-MRVPVSSYSA-N 1 0 249.688 3.601 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309498857 385623806 /nfs/dbraw/zinc/62/38/06/385623806.db2.gz KZWCWTVWJWEGTL-QMMMGPOBSA-N 1 0 249.688 3.601 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309499231 487685627 /nfs/dbraw/zinc/68/56/27/487685627.db2.gz LAJFRSQEODBKFC-NEPJUHHUSA-N 1 0 229.314 3.510 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000309499232 487685905 /nfs/dbraw/zinc/68/59/05/487685905.db2.gz LAJFRSQEODBKFC-NWDGAFQWSA-N 1 0 229.314 3.510 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000309499233 487685765 /nfs/dbraw/zinc/68/57/65/487685765.db2.gz LAJFRSQEODBKFC-RYUDHWBXSA-N 1 0 229.314 3.510 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309499234 487685985 /nfs/dbraw/zinc/68/59/85/487685985.db2.gz LAJFRSQEODBKFC-VXGBXAGGSA-N 1 0 229.314 3.510 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309499612 322905422 /nfs/dbraw/zinc/90/54/22/322905422.db2.gz UOVPIGLBZLFHMR-FVCCEPFGSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309499613 322905410 /nfs/dbraw/zinc/90/54/10/322905410.db2.gz UOVPIGLBZLFHMR-MROQNXINSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309499614 322905427 /nfs/dbraw/zinc/90/54/27/322905427.db2.gz UOVPIGLBZLFHMR-NDBYEHHHSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309499616 322905370 /nfs/dbraw/zinc/90/53/70/322905370.db2.gz UOVPIGLBZLFHMR-VOAKCMCISA-N 1 0 241.444 3.542 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000309499981 711698992 /nfs/dbraw/zinc/69/89/92/711698992.db2.gz ZLULLHVMNARTLT-GHMZBOCLSA-N 1 0 216.328 3.617 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000309499983 632417243 /nfs/dbraw/zinc/41/72/43/632417243.db2.gz ZLULLHVMNARTLT-MNOVXSKESA-N 1 0 216.328 3.617 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000309499984 711686967 /nfs/dbraw/zinc/68/69/67/711686967.db2.gz ZLULLHVMNARTLT-QWRGUYRKSA-N 1 0 216.328 3.617 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000309499985 711686874 /nfs/dbraw/zinc/68/68/74/711686874.db2.gz ZLULLHVMNARTLT-WDEREUQCSA-N 1 0 216.328 3.617 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000309500139 262721719 /nfs/dbraw/zinc/72/17/19/262721719.db2.gz URUFVCSXQCFGDX-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000309500141 384101130 /nfs/dbraw/zinc/10/11/30/384101130.db2.gz URUFVCSXQCFGDX-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000309500142 384101267 /nfs/dbraw/zinc/10/12/67/384101267.db2.gz URUFVCSXQCFGDX-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000309500144 384100995 /nfs/dbraw/zinc/10/09/95/384100995.db2.gz URUFVCSXQCFGDX-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC(CCC)[NH2+]C1CC(C(F)(F)F)C1 ZINC000309501056 322905474 /nfs/dbraw/zinc/90/54/74/322905474.db2.gz ZTLNVLBMXKEJEX-UHFFFAOYSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C1CCC1 ZINC000309501989 384113760 /nfs/dbraw/zinc/11/37/60/384113760.db2.gz VDCBEGUFDYZBRZ-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)C1CCC1 ZINC000309501992 384113716 /nfs/dbraw/zinc/11/37/16/384113716.db2.gz VDCBEGUFDYZBRZ-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309502749 633181262 /nfs/dbraw/zinc/18/12/62/633181262.db2.gz BGCAOMOLUMOYKA-GXSJLCMTSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309502750 632419469 /nfs/dbraw/zinc/41/94/69/632419469.db2.gz BGCAOMOLUMOYKA-KOLCDFICSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309502751 632418338 /nfs/dbraw/zinc/41/83/38/632418338.db2.gz BGCAOMOLUMOYKA-MWLCHTKSSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309502752 632417833 /nfs/dbraw/zinc/41/78/33/632417833.db2.gz BGCAOMOLUMOYKA-ONGXEEELSA-N 1 0 240.778 3.568 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(Cl)nc1 ZINC000309504896 632433209 /nfs/dbraw/zinc/43/32/09/632433209.db2.gz BRTPNCUSWQPNLW-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)nc1 ZINC000309504897 632433596 /nfs/dbraw/zinc/43/35/96/632433596.db2.gz BRTPNCUSWQPNLW-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C1(C)CC1 ZINC000309504898 632432166 /nfs/dbraw/zinc/43/21/66/632432166.db2.gz BRTPNCUSWQPNLW-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)nc1 ZINC000309504901 633937659 /nfs/dbraw/zinc/93/76/59/633937659.db2.gz BRTPNCUSWQPNLW-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccsc1 ZINC000309505034 384113157 /nfs/dbraw/zinc/11/31/57/384113157.db2.gz VRFICWWJZIBTHC-BBCYWQGDSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccsc1 ZINC000309505036 384113991 /nfs/dbraw/zinc/11/39/91/384113991.db2.gz VRFICWWJZIBTHC-DLOFLVKXSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccsc1 ZINC000309505040 384113166 /nfs/dbraw/zinc/11/31/66/384113166.db2.gz VRFICWWJZIBTHC-MLCFOIATSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccsc1 ZINC000309505042 384113555 /nfs/dbraw/zinc/11/35/55/384113555.db2.gz VRFICWWJZIBTHC-NPZBDFSRSA-N 1 0 235.396 3.977 20 0 BHADRO Clc1cccc2c1CCC[C@@H]2[NH2+]C1CCC1 ZINC000309505069 385642693 /nfs/dbraw/zinc/64/26/93/385642693.db2.gz MURWGPJBWREVCU-AWEZNQCLSA-N 1 0 235.758 3.860 20 0 BHADRO Clc1cccc2c1CCC[C@H]2[NH2+]C1CCC1 ZINC000309505072 180591862 /nfs/dbraw/zinc/59/18/62/180591862.db2.gz MURWGPJBWREVCU-CQSZACIVSA-N 1 0 235.758 3.860 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)oc1C ZINC000309505309 178257726 /nfs/dbraw/zinc/25/77/26/178257726.db2.gz BUNOKIOMTPZCOK-CDMKHQONSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)oc1C ZINC000309505310 178259537 /nfs/dbraw/zinc/25/95/37/178259537.db2.gz BUNOKIOMTPZCOK-GAFUQQFSSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)oc1C ZINC000309505311 178255802 /nfs/dbraw/zinc/25/58/02/178255802.db2.gz BUNOKIOMTPZCOK-SUZMYJTESA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)oc1C ZINC000309505312 178256234 /nfs/dbraw/zinc/25/62/34/178256234.db2.gz BUNOKIOMTPZCOK-XHVZSJERSA-N 1 0 221.344 3.736 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309505319 384113657 /nfs/dbraw/zinc/11/36/57/384113657.db2.gz BUUXQALYBXNCAU-MDZLAQPJSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309505320 384114041 /nfs/dbraw/zinc/11/40/41/384114041.db2.gz BUUXQALYBXNCAU-NQBHXWOUSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309505321 384113530 /nfs/dbraw/zinc/11/35/30/384113530.db2.gz BUUXQALYBXNCAU-NTZNESFSSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309505322 384114459 /nfs/dbraw/zinc/11/44/59/384114459.db2.gz BUUXQALYBXNCAU-WZRBSPASSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccnc(Cl)c1 ZINC000309505812 633184265 /nfs/dbraw/zinc/18/42/65/633184265.db2.gz BXFAXFPPESMCJI-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccnc(Cl)c1 ZINC000309505813 633183513 /nfs/dbraw/zinc/18/35/13/633183513.db2.gz BXFAXFPPESMCJI-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C1(C)CC1 ZINC000309505815 633940116 /nfs/dbraw/zinc/94/01/16/633940116.db2.gz BXFAXFPPESMCJI-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccnc(Cl)c1 ZINC000309505816 633185176 /nfs/dbraw/zinc/18/51/76/633185176.db2.gz BXFAXFPPESMCJI-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccco1 ZINC000309506120 385642485 /nfs/dbraw/zinc/64/24/85/385642485.db2.gz BYFNFYVKFFJUDL-DCBWTQNWSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccco1 ZINC000309506123 385641627 /nfs/dbraw/zinc/64/16/27/385641627.db2.gz BYFNFYVKFFJUDL-LKSINWNRSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309507430 633180667 /nfs/dbraw/zinc/18/06/67/633180667.db2.gz WIMDNNWFMLEGIT-GWCFXTLKSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309507431 633181607 /nfs/dbraw/zinc/18/16/07/633181607.db2.gz WIMDNNWFMLEGIT-GXFFZTMASA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309507433 633181515 /nfs/dbraw/zinc/18/15/15/633181515.db2.gz WIMDNNWFMLEGIT-MFKMUULPSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309507434 633180739 /nfs/dbraw/zinc/18/07/39/633180739.db2.gz WIMDNNWFMLEGIT-ZWNOBZJWSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)C1CCC(F)(F)CC1 ZINC000309507934 384114049 /nfs/dbraw/zinc/11/40/49/384114049.db2.gz WKBAQISZKBQIIT-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)C1CCC(F)(F)CC1 ZINC000309507935 384113336 /nfs/dbraw/zinc/11/33/36/384113336.db2.gz WKBAQISZKBQIIT-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)oc1C ZINC000309508421 384113454 /nfs/dbraw/zinc/11/34/54/384113454.db2.gz WNHBMXSZIBCGIG-CDMKHQONSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)oc1C ZINC000309508423 384113726 /nfs/dbraw/zinc/11/37/26/384113726.db2.gz WNHBMXSZIBCGIG-GAFUQQFSSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)oc1C ZINC000309508424 229584755 /nfs/dbraw/zinc/58/47/55/229584755.db2.gz WNHBMXSZIBCGIG-SUZMYJTESA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)oc1C ZINC000309508425 384113995 /nfs/dbraw/zinc/11/39/95/384113995.db2.gz WNHBMXSZIBCGIG-XHVZSJERSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(C)CC2)c(C)o1 ZINC000309508873 178224551 /nfs/dbraw/zinc/22/45/51/178224551.db2.gz WROWMKSOYHQFFJ-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(C)CC2)c(C)o1 ZINC000309508874 178247249 /nfs/dbraw/zinc/24/72/49/178247249.db2.gz WROWMKSOYHQFFJ-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc(Cl)cn1 ZINC000309510069 632433718 /nfs/dbraw/zinc/43/37/18/632433718.db2.gz XCOCQLUDWQQBQV-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(Cl)cn1 ZINC000309510070 632433620 /nfs/dbraw/zinc/43/36/20/632433620.db2.gz XCOCQLUDWQQBQV-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCC1 ZINC000309510591 385646355 /nfs/dbraw/zinc/64/63/55/385646355.db2.gz XDKADUYFGCUFEI-SECBINFHSA-N 1 0 238.400 3.778 20 0 BHADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCC1 ZINC000309510592 385648027 /nfs/dbraw/zinc/64/80/27/385648027.db2.gz XDKADUYFGCUFEI-VIFPVBQESA-N 1 0 238.400 3.778 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1cscn1 ZINC000309510846 350685449 /nfs/dbraw/zinc/68/54/49/350685449.db2.gz PFWIMHZZUSWHEH-JTQLQIEISA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1cscn1 ZINC000309510847 350685443 /nfs/dbraw/zinc/68/54/43/350685443.db2.gz PFWIMHZZUSWHEH-SNVBAGLBSA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccc[nH]1 ZINC000309510985 632433275 /nfs/dbraw/zinc/43/32/75/632433275.db2.gz XGGAWVJRKSBIDN-GFCCVEGCSA-N 1 0 220.360 3.636 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccc[nH]1 ZINC000309510986 632432586 /nfs/dbraw/zinc/43/25/86/632432586.db2.gz XGGAWVJRKSBIDN-LBPRGKRZSA-N 1 0 220.360 3.636 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccsc2)o1 ZINC000309511432 323420625 /nfs/dbraw/zinc/42/06/25/323420625.db2.gz XKKNDMNAKJEKGZ-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccsc2)o1 ZINC000309511433 387814106 /nfs/dbraw/zinc/81/41/06/387814106.db2.gz XKKNDMNAKJEKGZ-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]C(C1CC1)C1CC1 ZINC000309511604 350685433 /nfs/dbraw/zinc/68/54/33/350685433.db2.gz PNAOTRDWVFARKS-UHFFFAOYSA-N 1 0 223.404 3.837 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000309512094 350685365 /nfs/dbraw/zinc/68/53/65/350685365.db2.gz XOSYDYKTPBNOAH-CHWSQXEVSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000309512095 350685497 /nfs/dbraw/zinc/68/54/97/350685497.db2.gz XOSYDYKTPBNOAH-OLZOCXBDSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000309512096 350685160 /nfs/dbraw/zinc/68/51/60/350685160.db2.gz XOSYDYKTPBNOAH-QWHCGFSZSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000309512097 350685046 /nfs/dbraw/zinc/68/50/46/350685046.db2.gz XOSYDYKTPBNOAH-STQMWFEESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000309513072 259314758 /nfs/dbraw/zinc/31/47/58/259314758.db2.gz XWYQTLXNMNRIOL-AXFHLTTASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000309513075 259314486 /nfs/dbraw/zinc/31/44/86/259314486.db2.gz XWYQTLXNMNRIOL-DCAQKATOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000309513078 259314556 /nfs/dbraw/zinc/31/45/56/259314556.db2.gz XWYQTLXNMNRIOL-GARJFASQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000309513080 259314568 /nfs/dbraw/zinc/31/45/68/259314568.db2.gz XWYQTLXNMNRIOL-HBNTYKKESA-N 1 0 231.330 3.589 20 0 BHADRO C1CC2CCC1C[C@@H]2[NH2+]C1CCCCCC1 ZINC000309514465 633942033 /nfs/dbraw/zinc/94/20/33/633942033.db2.gz QWRODOWJZHAQRB-PIMMBPRGSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC2CCC1C[C@H]2[NH2+]C1CCCCCC1 ZINC000309514466 633941616 /nfs/dbraw/zinc/94/16/16/633941616.db2.gz QWRODOWJZHAQRB-SSDMNJCBSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1ncc(C[NH2+]CC(C)(C)C(C)(C)C)s1 ZINC000309514475 180151019 /nfs/dbraw/zinc/15/10/19/180151019.db2.gz QXBGDHWGGKUPLV-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccs1 ZINC000309515584 384113441 /nfs/dbraw/zinc/11/34/41/384113441.db2.gz YPPPZISMTLRGSK-AFPNSQJFSA-N 1 0 249.301 3.740 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccs1 ZINC000309515585 384113325 /nfs/dbraw/zinc/11/33/25/384113325.db2.gz YPPPZISMTLRGSK-UEJVZZJDSA-N 1 0 249.301 3.740 20 0 BHADRO C[C@H]([NH2+]CCCCF)C1CCC(F)(F)CC1 ZINC000309516035 385654226 /nfs/dbraw/zinc/65/42/26/385654226.db2.gz YTEDZKIYBFUZNE-JTQLQIEISA-N 1 0 237.309 3.540 20 0 BHADRO C[C@@H]([NH2+]CCCCF)C1CCC(F)(F)CC1 ZINC000309516037 385655263 /nfs/dbraw/zinc/65/52/63/385655263.db2.gz YTEDZKIYBFUZNE-SNVBAGLBSA-N 1 0 237.309 3.540 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccsc1 ZINC000309516059 385653652 /nfs/dbraw/zinc/65/36/52/385653652.db2.gz YTQGOXPUJIBUCC-CUUXFQNZSA-N 1 0 249.301 3.740 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccsc1 ZINC000309516061 385655139 /nfs/dbraw/zinc/65/51/39/385655139.db2.gz YTQGOXPUJIBUCC-WFRXLMHJSA-N 1 0 249.301 3.740 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000309516260 229584189 /nfs/dbraw/zinc/58/41/89/229584189.db2.gz RQDXWLKXOKCEBC-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000309516263 229584582 /nfs/dbraw/zinc/58/45/82/229584582.db2.gz RQDXWLKXOKCEBC-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO FC(F)C1CCC([NH2+]C2CCCCC2)CC1 ZINC000309517001 384116995 /nfs/dbraw/zinc/11/69/95/384116995.db2.gz AEMWAIZVJAQSHN-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO FC(F)C1(C[NH2+]CCC2CCCCC2)CC1 ZINC000309517053 229584298 /nfs/dbraw/zinc/58/42/98/229584298.db2.gz AFPBTARMSMJSOK-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCC2(C)CC2)s1 ZINC000309517056 179918870 /nfs/dbraw/zinc/91/88/70/179918870.db2.gz YYWBVFFVALOBQR-SECBINFHSA-N 1 0 238.400 3.601 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCC2(C)CC2)s1 ZINC000309517059 385648467 /nfs/dbraw/zinc/64/84/67/385648467.db2.gz YYWBVFFVALOBQR-VIFPVBQESA-N 1 0 238.400 3.601 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000309518016 384115763 /nfs/dbraw/zinc/11/57/63/384115763.db2.gz AMPMPXDNAGVISA-GXTWGEPZSA-N 1 0 227.367 3.827 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000309518017 534431376 /nfs/dbraw/zinc/43/13/76/534431376.db2.gz AMPMPXDNAGVISA-JSGCOSHPSA-N 1 0 227.367 3.827 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000309518018 384116413 /nfs/dbraw/zinc/11/64/13/384116413.db2.gz AMPMPXDNAGVISA-OCCSQVGLSA-N 1 0 227.367 3.827 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000309518020 229584424 /nfs/dbraw/zinc/58/44/24/229584424.db2.gz AMPMPXDNAGVISA-TZMCWYRMSA-N 1 0 227.367 3.827 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000309518199 632435522 /nfs/dbraw/zinc/43/55/22/632435522.db2.gz SJHZSQVWKOPRJY-HXSCFSKGSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000309518201 632434737 /nfs/dbraw/zinc/43/47/37/632434737.db2.gz SJHZSQVWKOPRJY-JYVUQVBGSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000309518202 632434510 /nfs/dbraw/zinc/43/45/10/632434510.db2.gz SJHZSQVWKOPRJY-OOJKYFRXSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000309518205 632434709 /nfs/dbraw/zinc/43/47/09/632434709.db2.gz SJHZSQVWKOPRJY-SHWKFHJASA-N 1 0 219.372 3.511 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309518383 384116963 /nfs/dbraw/zinc/11/69/63/384116963.db2.gz ZIDOBIHBIOZVPC-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309518385 384117155 /nfs/dbraw/zinc/11/71/55/384117155.db2.gz ZIDOBIHBIOZVPC-MCIONIFRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309518386 384116105 /nfs/dbraw/zinc/11/61/05/384116105.db2.gz ZIDOBIHBIOZVPC-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309518387 384116309 /nfs/dbraw/zinc/11/63/09/384116309.db2.gz ZIDOBIHBIOZVPC-RDBSUJKOSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000309519768 387815168 /nfs/dbraw/zinc/81/51/68/387815168.db2.gz ZQWXNMVXBPZODH-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCOC(C)(C)C ZINC000309519769 323422387 /nfs/dbraw/zinc/42/23/87/323422387.db2.gz ZQWXNMVXBPZODH-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)(C)CC1)C(F)(F)F ZINC000309519789 384116639 /nfs/dbraw/zinc/11/66/39/384116639.db2.gz ZRVAYYYGOHAYJF-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)C(F)(F)F ZINC000309519790 384117182 /nfs/dbraw/zinc/11/71/82/384117182.db2.gz ZRVAYYYGOHAYJF-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCCF)c1C ZINC000309520592 229584283 /nfs/dbraw/zinc/58/42/83/229584283.db2.gz ZYBAGMBTUSLVQZ-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCCF)c1C ZINC000309520594 384116205 /nfs/dbraw/zinc/11/62/05/384116205.db2.gz ZYBAGMBTUSLVQZ-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000309520962 385658797 /nfs/dbraw/zinc/65/87/97/385658797.db2.gz AHSNFQDWIWGUCG-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CC13CCCC3)CC2 ZINC000309520966 191127416 /nfs/dbraw/zinc/12/74/16/191127416.db2.gz AHSNFQDWIWGUCG-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO C[C@H](CC[NH2+]C1CCSCC1)CC(C)(C)C ZINC000309520993 533941132 /nfs/dbraw/zinc/94/11/32/533941132.db2.gz ANDMUCRTZDXNHB-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H](CC[NH2+]C1CCSCC1)CC(C)(C)C ZINC000309520995 384117191 /nfs/dbraw/zinc/11/71/91/384117191.db2.gz ANDMUCRTZDXNHB-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO FC(F)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000309521374 384116901 /nfs/dbraw/zinc/11/69/01/384116901.db2.gz BKWQYTLGCYRKDB-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309521506 491149851 /nfs/dbraw/zinc/14/98/51/491149851.db2.gz BDORCDWTXCTDTO-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309521508 491149877 /nfs/dbraw/zinc/14/98/77/491149877.db2.gz BDORCDWTXCTDTO-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309521509 491149843 /nfs/dbraw/zinc/14/98/43/491149843.db2.gz BDORCDWTXCTDTO-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309521510 491149858 /nfs/dbraw/zinc/14/98/58/491149858.db2.gz BDORCDWTXCTDTO-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000309521885 187998006 /nfs/dbraw/zinc/99/80/06/187998006.db2.gz ALHLBJVGDRKYQS-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CCC13CCC3)CC2 ZINC000309521887 385659428 /nfs/dbraw/zinc/65/94/28/385659428.db2.gz ALHLBJVGDRKYQS-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309522748 384116442 /nfs/dbraw/zinc/11/64/42/384116442.db2.gz CGNAWUHCIKFLPR-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309522754 384117206 /nfs/dbraw/zinc/11/72/06/384117206.db2.gz CGNAWUHCIKFLPR-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309522762 384116448 /nfs/dbraw/zinc/11/64/48/384116448.db2.gz CGNAWUHCIKFLPR-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309522769 534083605 /nfs/dbraw/zinc/08/36/05/534083605.db2.gz CGNAWUHCIKFLPR-UTLUCORTSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)C1CCCC1 ZINC000309522893 384116235 /nfs/dbraw/zinc/11/62/35/384116235.db2.gz CHEWBDBQVPXUFW-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)C1CCCC1 ZINC000309522894 384117108 /nfs/dbraw/zinc/11/71/08/384117108.db2.gz CHEWBDBQVPXUFW-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)C1CCCC1 ZINC000309522895 384116054 /nfs/dbraw/zinc/11/60/54/384116054.db2.gz CHEWBDBQVPXUFW-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1CCCC1 ZINC000309522896 384116671 /nfs/dbraw/zinc/11/66/71/384116671.db2.gz CHEWBDBQVPXUFW-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000309523123 166745670 /nfs/dbraw/zinc/74/56/70/166745670.db2.gz CBMCMRVXTWPRLP-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309523126 385654804 /nfs/dbraw/zinc/65/48/04/385654804.db2.gz CBMCMRVXTWPRLP-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000309523129 385654600 /nfs/dbraw/zinc/65/46/00/385654600.db2.gz CBMCMRVXTWPRLP-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309523135 385654556 /nfs/dbraw/zinc/65/45/56/385654556.db2.gz CBMCMRVXTWPRLP-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000309523880 384116869 /nfs/dbraw/zinc/11/68/69/384116869.db2.gz AWDPTJAKPCIMIE-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000309523888 384116681 /nfs/dbraw/zinc/11/66/81/384116681.db2.gz AWDPTJAKPCIMIE-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO FCC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000309523928 384116336 /nfs/dbraw/zinc/11/63/36/384116336.db2.gz AJAQMMIJZLXJMI-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+]C1CC=CC1 ZINC000309524353 491149937 /nfs/dbraw/zinc/14/99/37/491149937.db2.gz AOQGMDFOBMHANX-UHFFFAOYSA-N 1 0 247.285 3.575 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccoc1C ZINC000309525023 385667229 /nfs/dbraw/zinc/66/72/29/385667229.db2.gz CMESKLBNLDTDKN-GFCCVEGCSA-N 1 0 221.344 3.813 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccoc1C ZINC000309525024 188168014 /nfs/dbraw/zinc/16/80/14/188168014.db2.gz CMESKLBNLDTDKN-LBPRGKRZSA-N 1 0 221.344 3.813 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1cccs1 ZINC000309525029 385666505 /nfs/dbraw/zinc/66/65/05/385666505.db2.gz CMGSSGPOWHTFDD-DCBWTQNWSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1cccs1 ZINC000309525030 385666719 /nfs/dbraw/zinc/66/67/19/385666719.db2.gz CMGSSGPOWHTFDD-LKSINWNRSA-N 1 0 235.396 3.979 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000309525144 384117374 /nfs/dbraw/zinc/11/73/74/384117374.db2.gz UTUUVIZIPUGNRA-KBPBESRZSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000309525148 229584838 /nfs/dbraw/zinc/58/48/38/229584838.db2.gz UTUUVIZIPUGNRA-KGLIPLIRSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000309525151 384116766 /nfs/dbraw/zinc/11/67/66/384116766.db2.gz UTUUVIZIPUGNRA-UONOGXRCSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000309525156 384115677 /nfs/dbraw/zinc/11/56/77/384115677.db2.gz UTUUVIZIPUGNRA-ZIAGYGMSSA-N 1 0 235.758 3.618 20 0 BHADRO FC1(F)CC(C[NH2+]C2CCCCCCC2)C1 ZINC000309525418 633945967 /nfs/dbraw/zinc/94/59/67/633945967.db2.gz UWFFYAUYTQRAFI-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C(C(C)C)C(C)C)cs1 ZINC000309525680 491149948 /nfs/dbraw/zinc/14/99/48/491149948.db2.gz BBYVXXIVVCSPKX-JTQLQIEISA-N 1 0 240.416 3.783 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C(C(C)C)C(C)C)cs1 ZINC000309525682 491149924 /nfs/dbraw/zinc/14/99/24/491149924.db2.gz BBYVXXIVVCSPKX-SNVBAGLBSA-N 1 0 240.416 3.783 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000309526054 385662653 /nfs/dbraw/zinc/66/26/53/385662653.db2.gz COFTYPIZCGJXGI-LLVKDONJSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000309526055 385662480 /nfs/dbraw/zinc/66/24/80/385662480.db2.gz COFTYPIZCGJXGI-NSHDSACASA-N 1 0 223.360 3.892 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccsc1 ZINC000309526161 385661189 /nfs/dbraw/zinc/66/11/89/385661189.db2.gz CQLUVVXFIJRDHP-SECBINFHSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccsc1 ZINC000309526162 385662949 /nfs/dbraw/zinc/66/29/49/385662949.db2.gz CQLUVVXFIJRDHP-VIFPVBQESA-N 1 0 245.338 3.977 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCCC2)oc1C ZINC000309526178 229585536 /nfs/dbraw/zinc/58/55/36/229585536.db2.gz CQTPYFXPXNQCRT-LLVKDONJSA-N 1 0 221.344 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCCCC2)oc1C ZINC000309526180 229585821 /nfs/dbraw/zinc/58/58/21/229585821.db2.gz CQTPYFXPXNQCRT-NSHDSACASA-N 1 0 221.344 3.880 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC3CCC2CC3)cs1 ZINC000309526401 178038564 /nfs/dbraw/zinc/03/85/64/178038564.db2.gz UYRYIRPYNPOLTF-UBHUBRDASA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC3CCC2CC3)cs1 ZINC000309526404 178033113 /nfs/dbraw/zinc/03/31/13/178033113.db2.gz UYRYIRPYNPOLTF-UXUKBGGZSA-N 1 0 235.396 3.725 20 0 BHADRO CC(C)(C)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000309526663 388455850 /nfs/dbraw/zinc/45/58/50/388455850.db2.gz BFASULNCWBPIDP-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000309526723 527646088 /nfs/dbraw/zinc/64/60/88/527646088.db2.gz CONGGPORVFPTBV-ABXWRUBCSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000309526724 388455829 /nfs/dbraw/zinc/45/58/29/388455829.db2.gz CONGGPORVFPTBV-BLYZHGLHSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000309526725 388455700 /nfs/dbraw/zinc/45/57/00/388455700.db2.gz CONGGPORVFPTBV-GFJIZPEISA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000309526726 388455904 /nfs/dbraw/zinc/45/59/04/388455904.db2.gz CONGGPORVFPTBV-RYSNWHEDSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1cncs1 ZINC000309527317 384119012 /nfs/dbraw/zinc/11/90/12/384119012.db2.gz VDOMDUHFCTZKPN-JTQLQIEISA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1cncs1 ZINC000309527318 384117476 /nfs/dbraw/zinc/11/74/76/384117476.db2.gz VDOMDUHFCTZKPN-SNVBAGLBSA-N 1 0 240.416 3.866 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC2CCC2)CS1 ZINC000309527364 632470274 /nfs/dbraw/zinc/47/02/74/632470274.db2.gz BGXZLPWXWHDUMJ-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC2CCC2)CS1 ZINC000309527365 632470985 /nfs/dbraw/zinc/47/09/85/632470985.db2.gz BGXZLPWXWHDUMJ-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc[nH+]c(NCCCSCC(C)C)c1 ZINC000309527655 385663616 /nfs/dbraw/zinc/66/36/16/385663616.db2.gz CSWPAQYQPGSFNB-UHFFFAOYSA-N 1 0 238.400 3.581 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000309528408 179340259 /nfs/dbraw/zinc/34/02/59/179340259.db2.gz CYNBAULBJDGXGT-AVGNSLFASA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309528409 179338927 /nfs/dbraw/zinc/33/89/27/179338927.db2.gz CYNBAULBJDGXGT-RWMBFGLXSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309528410 179340265 /nfs/dbraw/zinc/34/02/65/179340265.db2.gz CYNBAULBJDGXGT-XQQFMLRXSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309528411 179339801 /nfs/dbraw/zinc/33/98/01/179339801.db2.gz CYNBAULBJDGXGT-YNEHKIRRSA-N 1 0 221.319 3.536 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000309528506 388455815 /nfs/dbraw/zinc/45/58/15/388455815.db2.gz BLTRMGMFSSRIMR-UHFFFAOYSA-N 1 0 221.319 3.580 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000309528581 388455841 /nfs/dbraw/zinc/45/58/41/388455841.db2.gz CWWDETMXHPMNIR-FKZOYECMSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000309528582 527646281 /nfs/dbraw/zinc/64/62/81/527646281.db2.gz CWWDETMXHPMNIR-GNRIBBGQSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000309528583 388455856 /nfs/dbraw/zinc/45/58/56/388455856.db2.gz CWWDETMXHPMNIR-HHTDUIENSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000309528584 388455833 /nfs/dbraw/zinc/45/58/33/388455833.db2.gz CWWDETMXHPMNIR-YIOUJQMASA-N 1 0 227.367 3.681 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000309529365 388455950 /nfs/dbraw/zinc/45/59/50/388455950.db2.gz CORFIPDLNVMVAZ-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000309529366 527477000 /nfs/dbraw/zinc/47/70/00/527477000.db2.gz CORFIPDLNVMVAZ-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO FC1(F)CC([NH2+]CCC2CCCCCC2)C1 ZINC000309529811 229449806 /nfs/dbraw/zinc/44/98/06/229449806.db2.gz VRGDEUKZIBOFJV-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1 ZINC000309529966 388455799 /nfs/dbraw/zinc/45/57/99/388455799.db2.gz DDNDMVMFQKWVCU-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000309529967 388455740 /nfs/dbraw/zinc/45/57/40/388455740.db2.gz DDNDMVMFQKWVCU-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)C1C(C)(C)C1(C)C ZINC000309530012 385666985 /nfs/dbraw/zinc/66/69/85/385666985.db2.gz DEIFZEAYZGKHQU-JTQLQIEISA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]([NH2+]C1CCSCC1)C1C(C)(C)C1(C)C ZINC000309530013 385667404 /nfs/dbraw/zinc/66/74/04/385667404.db2.gz DEIFZEAYZGKHQU-SNVBAGLBSA-N 1 0 241.444 3.542 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000309530592 388455908 /nfs/dbraw/zinc/45/59/08/388455908.db2.gz VVOBPPSQJVBRLE-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CC12CCCC2 ZINC000309530594 388455774 /nfs/dbraw/zinc/45/57/74/388455774.db2.gz VVOBPPSQJVBRLE-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCCS1 ZINC000309531458 385667671 /nfs/dbraw/zinc/66/76/71/385667671.db2.gz BUWANHAJDBREMO-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCCS1 ZINC000309531461 187997874 /nfs/dbraw/zinc/99/78/74/187997874.db2.gz BUWANHAJDBREMO-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccnc1Cl ZINC000309531665 633190051 /nfs/dbraw/zinc/19/00/51/633190051.db2.gz DJJPGTMEJHHMPP-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccnc1Cl ZINC000309531666 632474683 /nfs/dbraw/zinc/47/46/83/632474683.db2.gz DJJPGTMEJHHMPP-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C1(C)CC1 ZINC000309531667 632474256 /nfs/dbraw/zinc/47/42/56/632474256.db2.gz DJJPGTMEJHHMPP-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccnc1Cl ZINC000309531668 632474566 /nfs/dbraw/zinc/47/45/66/632474566.db2.gz DJJPGTMEJHHMPP-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+]C1(C2CC2)CC1 ZINC000309532515 326158172 /nfs/dbraw/zinc/15/81/72/326158172.db2.gz DKIVWNZCXKSGPO-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000309532674 326158161 /nfs/dbraw/zinc/15/81/61/326158161.db2.gz DQCSGMRAOUYCHW-GXTWGEPZSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000309532675 326158195 /nfs/dbraw/zinc/15/81/95/326158195.db2.gz DQCSGMRAOUYCHW-JSGCOSHPSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000309532676 326158030 /nfs/dbraw/zinc/15/80/30/326158030.db2.gz DQCSGMRAOUYCHW-OCCSQVGLSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000309532677 326158237 /nfs/dbraw/zinc/15/82/37/326158237.db2.gz DQCSGMRAOUYCHW-TZMCWYRMSA-N 1 0 221.388 3.733 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000309532837 180590055 /nfs/dbraw/zinc/59/00/55/180590055.db2.gz WJWYYAALKPSINI-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000309532839 180590441 /nfs/dbraw/zinc/59/04/41/180590441.db2.gz WJWYYAALKPSINI-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCCS1 ZINC000309533446 187653162 /nfs/dbraw/zinc/65/31/62/187653162.db2.gz DSSBEAQIEBYCLU-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCCS1 ZINC000309533450 385669902 /nfs/dbraw/zinc/66/99/02/385669902.db2.gz DSSBEAQIEBYCLU-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCCS1 ZINC000309533452 385670325 /nfs/dbraw/zinc/67/03/25/385670325.db2.gz DSSBEAQIEBYCLU-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCCS1 ZINC000309533455 385669450 /nfs/dbraw/zinc/66/94/50/385669450.db2.gz DSSBEAQIEBYCLU-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309534040 632477880 /nfs/dbraw/zinc/47/78/80/632477880.db2.gz CJMSGEUHXLZDBT-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309534041 633945422 /nfs/dbraw/zinc/94/54/22/633945422.db2.gz CJMSGEUHXLZDBT-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309534042 632478874 /nfs/dbraw/zinc/47/88/74/632478874.db2.gz CJMSGEUHXLZDBT-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309534043 632478343 /nfs/dbraw/zinc/47/83/43/632478343.db2.gz CJMSGEUHXLZDBT-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CCC[NH2+]CC1CCC(F)(F)CC1 ZINC000309534168 388456642 /nfs/dbraw/zinc/45/66/42/388456642.db2.gz CKOCXUGKPGJPOZ-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1(C)CC1 ZINC000309534777 388456726 /nfs/dbraw/zinc/45/67/26/388456726.db2.gz DWKRKSXFNMGGKE-IGQOVBAYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C1(C)CC1 ZINC000309534785 229451156 /nfs/dbraw/zinc/45/11/56/229451156.db2.gz DWKRKSXFNMGGKE-REWJHTLYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C1(C)CC1 ZINC000309534793 388456573 /nfs/dbraw/zinc/45/65/73/388456573.db2.gz DWKRKSXFNMGGKE-RFQIPJPRSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C1(C)CC1 ZINC000309534800 388456799 /nfs/dbraw/zinc/45/67/99/388456799.db2.gz DWKRKSXFNMGGKE-XDQVBPFNSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)CC[NH2+]C1(c2ccccc2)CC1 ZINC000309534924 388456241 /nfs/dbraw/zinc/45/62/41/388456241.db2.gz CLYXGTGWZDOENS-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO CC(C)CCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309534988 388456466 /nfs/dbraw/zinc/45/64/66/388456466.db2.gz CORJZDPHBRFKAT-LLVKDONJSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309534993 388456727 /nfs/dbraw/zinc/45/67/27/388456727.db2.gz CORJZDPHBRFKAT-NSHDSACASA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CC1CC1 ZINC000309535170 528429999 /nfs/dbraw/zinc/42/99/99/528429999.db2.gz FFIDZEXFCWOZAV-GXSJLCMTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)CC1CC1 ZINC000309535171 388456576 /nfs/dbraw/zinc/45/65/76/388456576.db2.gz FFIDZEXFCWOZAV-KOLCDFICSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)CC1CC1 ZINC000309535172 388456957 /nfs/dbraw/zinc/45/69/57/388456957.db2.gz FFIDZEXFCWOZAV-MWLCHTKSSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC1CC1 ZINC000309535173 388456653 /nfs/dbraw/zinc/45/66/53/388456653.db2.gz FFIDZEXFCWOZAV-ONGXEEELSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cncs1 ZINC000309535275 176829190 /nfs/dbraw/zinc/82/91/90/176829190.db2.gz DXTYAHKIQAGVGI-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cncs1 ZINC000309535276 385671426 /nfs/dbraw/zinc/67/14/26/385671426.db2.gz DXTYAHKIQAGVGI-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccccc1C(C)(C)C ZINC000309537015 388456347 /nfs/dbraw/zinc/45/63/47/388456347.db2.gz FGDIBFFHQGDTIO-LLVKDONJSA-N 1 0 217.356 3.797 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccccc1C(C)(C)C ZINC000309537016 384122585 /nfs/dbraw/zinc/12/25/85/384122585.db2.gz FGDIBFFHQGDTIO-NSHDSACASA-N 1 0 217.356 3.797 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC1(F)CCC1 ZINC000309537025 632476532 /nfs/dbraw/zinc/47/65/32/632476532.db2.gz FGISLIUCWWODRM-LLVKDONJSA-N 1 0 247.423 3.779 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC1(F)CCC1 ZINC000309537026 632476074 /nfs/dbraw/zinc/47/60/74/632476074.db2.gz FGISLIUCWWODRM-NSHDSACASA-N 1 0 247.423 3.779 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C(C)(C)C)o1 ZINC000309537113 384122544 /nfs/dbraw/zinc/12/25/44/384122544.db2.gz XHSJCVVOWIQHEX-UHFFFAOYSA-N 1 0 223.360 3.750 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@@H](C)CC(C)C)s1 ZINC000309537405 385675898 /nfs/dbraw/zinc/67/58/98/385675898.db2.gz FMCPZKRBHJCHCT-JTQLQIEISA-N 1 0 240.416 3.532 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@H](C)CC(C)C)s1 ZINC000309537407 385675453 /nfs/dbraw/zinc/67/54/53/385675453.db2.gz FMCPZKRBHJCHCT-SNVBAGLBSA-N 1 0 240.416 3.532 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)cc(Cl)n1 ZINC000309537927 633191234 /nfs/dbraw/zinc/19/12/34/633191234.db2.gz DDDLGPLLCBWBAK-JTQLQIEISA-N 1 0 240.778 3.568 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)cc(Cl)n1 ZINC000309537928 632475990 /nfs/dbraw/zinc/47/59/90/632475990.db2.gz DDDLGPLLCBWBAK-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)C(C)C)c1C ZINC000309537944 350709308 /nfs/dbraw/zinc/70/93/08/350709308.db2.gz DDTMWLIQFQOCBT-UHFFFAOYSA-N 1 0 219.372 3.828 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309537966 384121915 /nfs/dbraw/zinc/12/19/15/384121915.db2.gz DEVOOEUAFMDLDU-AVGNSLFASA-N 1 0 243.460 3.931 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309537967 384121381 /nfs/dbraw/zinc/12/13/81/384121381.db2.gz DEVOOEUAFMDLDU-RWMBFGLXSA-N 1 0 243.460 3.931 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309537968 528476852 /nfs/dbraw/zinc/47/68/52/528476852.db2.gz DEVOOEUAFMDLDU-XQQFMLRXSA-N 1 0 243.460 3.931 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309537970 384121793 /nfs/dbraw/zinc/12/17/93/384121793.db2.gz DEVOOEUAFMDLDU-YNEHKIRRSA-N 1 0 243.460 3.931 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)C1CCC(F)(F)CC1 ZINC000309538166 533807538 /nfs/dbraw/zinc/80/75/38/533807538.db2.gz FLBRVCPZACXIBN-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)C1CCC(F)(F)CC1 ZINC000309538168 229451954 /nfs/dbraw/zinc/45/19/54/229451954.db2.gz FLBRVCPZACXIBN-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000309538797 398086522 /nfs/dbraw/zinc/08/65/22/398086522.db2.gz FOPCZNHLRFRCKL-UHFFFAOYSA-N 1 0 227.298 3.590 20 0 BHADRO CC(C)CCC[NH2+]Cc1nc(C2CC2)cs1 ZINC000309539564 385673459 /nfs/dbraw/zinc/67/34/59/385673459.db2.gz DMORZHTXXWDBCK-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000309539615 385673453 /nfs/dbraw/zinc/67/34/53/385673453.db2.gz FPIGBTMOLQJACL-AHPWVWPOSA-N 1 0 227.367 3.826 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000309539618 168444306 /nfs/dbraw/zinc/44/43/06/168444306.db2.gz FPIGBTMOLQJACL-NELGMTEASA-N 1 0 227.367 3.826 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000309539619 385673245 /nfs/dbraw/zinc/67/32/45/385673245.db2.gz FPIGBTMOLQJACL-RJZJGCCBSA-N 1 0 227.367 3.826 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000309539620 385674428 /nfs/dbraw/zinc/67/44/28/385674428.db2.gz FPIGBTMOLQJACL-ZIHBUVQPSA-N 1 0 227.367 3.826 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000309540271 388456504 /nfs/dbraw/zinc/45/65/04/388456504.db2.gz DPTMCRKXVCZYJE-CHWSQXEVSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309540272 388456590 /nfs/dbraw/zinc/45/65/90/388456590.db2.gz DPTMCRKXVCZYJE-OLZOCXBDSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000309540273 388456221 /nfs/dbraw/zinc/45/62/21/388456221.db2.gz DPTMCRKXVCZYJE-QWHCGFSZSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309540275 534449130 /nfs/dbraw/zinc/44/91/30/534449130.db2.gz DPTMCRKXVCZYJE-STQMWFEESA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CC12CCCC2 ZINC000309540403 491150778 /nfs/dbraw/zinc/15/07/78/491150778.db2.gz FSTVJHIXOZDQIX-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC12CCCC2 ZINC000309540406 491150793 /nfs/dbraw/zinc/15/07/93/491150793.db2.gz FSTVJHIXOZDQIX-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC12CCCC2 ZINC000309540408 491150791 /nfs/dbraw/zinc/15/07/91/491150791.db2.gz FSTVJHIXOZDQIX-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CC12CCCC2 ZINC000309540411 491150779 /nfs/dbraw/zinc/15/07/79/491150779.db2.gz FSTVJHIXOZDQIX-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO C1=C(CC[NH2+]C2CC3(CCC3)C2)CCCC1 ZINC000309540492 388456440 /nfs/dbraw/zinc/45/64/40/388456440.db2.gz GGBLQBDQVFHOSA-UHFFFAOYSA-N 1 0 219.372 3.799 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309541456 491150906 /nfs/dbraw/zinc/15/09/06/491150906.db2.gz GLFHFBVJYODLPI-AEGPPILISA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309541458 491150860 /nfs/dbraw/zinc/15/08/60/491150860.db2.gz GLFHFBVJYODLPI-CFVMTHIKSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309541460 491150904 /nfs/dbraw/zinc/15/09/04/491150904.db2.gz GLFHFBVJYODLPI-NWANDNLSSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000309541462 491150871 /nfs/dbraw/zinc/15/08/71/491150871.db2.gz GLFHFBVJYODLPI-QEJZJMRPSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)C1CCC1 ZINC000309541631 388456398 /nfs/dbraw/zinc/45/63/98/388456398.db2.gz GADNNAJIEQBXFX-CQDKDKBSSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)C1CCC1 ZINC000309541632 229451304 /nfs/dbraw/zinc/45/13/04/229451304.db2.gz GADNNAJIEQBXFX-GLQYFDAESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CCC1 ZINC000309541633 388456467 /nfs/dbraw/zinc/45/64/67/388456467.db2.gz GADNNAJIEQBXFX-NILFDRSVSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C1CCC1 ZINC000309541634 229452240 /nfs/dbraw/zinc/45/22/40/229452240.db2.gz GADNNAJIEQBXFX-TUKIKUTGSA-N 1 0 221.388 3.733 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+]CC2CC2)cc1 ZINC000309541887 326158253 /nfs/dbraw/zinc/15/82/53/326158253.db2.gz GQGIOTGCOLQIDL-HNNXBMFYSA-N 1 0 215.340 3.527 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+]CC2CC2)cc1 ZINC000309541889 326158049 /nfs/dbraw/zinc/15/80/49/326158049.db2.gz GQGIOTGCOLQIDL-OAHLLOKOSA-N 1 0 215.340 3.527 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000309542101 388456595 /nfs/dbraw/zinc/45/65/95/388456595.db2.gz YOSYHUNJGWCXFT-CLRIEMFWSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000309542103 529049719 /nfs/dbraw/zinc/04/97/19/529049719.db2.gz YOSYHUNJGWCXFT-HOAMVYINSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000309542104 388456223 /nfs/dbraw/zinc/45/62/23/388456223.db2.gz YOSYHUNJGWCXFT-NWINJMCUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000309542105 388456979 /nfs/dbraw/zinc/45/69/79/388456979.db2.gz YOSYHUNJGWCXFT-PQAZSJQKSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC(C)(C)C2)o1 ZINC000309542179 491150910 /nfs/dbraw/zinc/15/09/10/491150910.db2.gz GBSFJZCXMFHXJX-LLVKDONJSA-N 1 0 221.344 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC(C)(C)C2)o1 ZINC000309542180 491150896 /nfs/dbraw/zinc/15/08/96/491150896.db2.gz GBSFJZCXMFHXJX-NSHDSACASA-N 1 0 221.344 3.675 20 0 BHADRO Clc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000309543959 385680128 /nfs/dbraw/zinc/68/01/28/385680128.db2.gz ZBSVKHIWWFLCQP-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000309543969 385679309 /nfs/dbraw/zinc/67/93/09/385679309.db2.gz ZCGQUYQKOAXDBL-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000309544401 491150922 /nfs/dbraw/zinc/15/09/22/491150922.db2.gz HMCSABZOLZWHHF-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000309544402 491150959 /nfs/dbraw/zinc/15/09/59/491150959.db2.gz HMCSABZOLZWHHF-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000309544403 491150978 /nfs/dbraw/zinc/15/09/78/491150978.db2.gz HMCSABZOLZWHHF-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000309544404 491150946 /nfs/dbraw/zinc/15/09/46/491150946.db2.gz HMCSABZOLZWHHF-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000309544610 388456289 /nfs/dbraw/zinc/45/62/89/388456289.db2.gz GQTJYBPJMMLLPV-GFCCVEGCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000309544611 388456877 /nfs/dbraw/zinc/45/68/77/388456877.db2.gz GQTJYBPJMMLLPV-LBPRGKRZSA-N 1 0 217.356 3.834 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000309545248 385678569 /nfs/dbraw/zinc/67/85/69/385678569.db2.gz ZNXXANZNAARPCO-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000309545250 385678866 /nfs/dbraw/zinc/67/88/66/385678866.db2.gz ZNXXANZNAARPCO-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCCC(F)(F)F ZINC000309545515 388456363 /nfs/dbraw/zinc/45/63/63/388456363.db2.gz GVHZWZPTFQNKCA-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCCC(F)(F)F ZINC000309545516 398086544 /nfs/dbraw/zinc/08/65/44/398086544.db2.gz GVHZWZPTFQNKCA-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C(C[NH2+]C[C@@H]1CCSC1)CC1CCCCC1 ZINC000309545836 388456904 /nfs/dbraw/zinc/45/69/04/388456904.db2.gz ICLKCRFWJOUDRT-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C(C[NH2+]C[C@H]1CCSC1)CC1CCCCC1 ZINC000309545838 388456442 /nfs/dbraw/zinc/45/64/42/388456442.db2.gz ICLKCRFWJOUDRT-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO FC(F)(F)C1(C[NH2+]Cc2ccsc2)CCC1 ZINC000309546227 385679673 /nfs/dbraw/zinc/67/96/73/385679673.db2.gz DLPZNAYHOVIFSD-UHFFFAOYSA-N 1 0 249.301 3.570 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H](C)c1ccccc1 ZINC000309546512 388456566 /nfs/dbraw/zinc/45/65/66/388456566.db2.gz GYOIYILPEHOHQF-BHPKHCPMSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@H](C)c1ccccc1 ZINC000309546515 229451634 /nfs/dbraw/zinc/45/16/34/229451634.db2.gz GYOIYILPEHOHQF-COMQUAJESA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H](C)c1ccccc1 ZINC000309546519 388456247 /nfs/dbraw/zinc/45/62/47/388456247.db2.gz GYOIYILPEHOHQF-CXTNEJHOSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309546521 229451455 /nfs/dbraw/zinc/45/14/55/229451455.db2.gz GYOIYILPEHOHQF-OSFYFWSMSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000309546600 229451693 /nfs/dbraw/zinc/45/16/93/229451693.db2.gz GZMJGNWUZUOWPV-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000309546602 388456773 /nfs/dbraw/zinc/45/67/73/388456773.db2.gz GZMJGNWUZUOWPV-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CN[C@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546604 491151035 /nfs/dbraw/zinc/15/10/35/491151035.db2.gz GZOQQBVREIWOGB-PSASIEDQSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](CN[C@@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546607 491151052 /nfs/dbraw/zinc/15/10/52/491151052.db2.gz GZOQQBVREIWOGB-SCZZXKLOSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](CN[C@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546609 491151049 /nfs/dbraw/zinc/15/10/49/491151049.db2.gz GZOQQBVREIWOGB-WCBMZHEXSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](CN[C@@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546611 491151046 /nfs/dbraw/zinc/15/10/46/491151046.db2.gz GZOQQBVREIWOGB-WPRPVWTQSA-N 1 0 237.309 3.599 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)s1 ZINC000309546988 491150993 /nfs/dbraw/zinc/15/09/93/491150993.db2.gz HCNINSWMWQQKRI-GXSJLCMTSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)s1 ZINC000309546989 491151030 /nfs/dbraw/zinc/15/10/30/491151030.db2.gz HCNINSWMWQQKRI-KOLCDFICSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)s1 ZINC000309546990 491151059 /nfs/dbraw/zinc/15/10/59/491151059.db2.gz HCNINSWMWQQKRI-MWLCHTKSSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)s1 ZINC000309546991 491151009 /nfs/dbraw/zinc/15/10/09/491151009.db2.gz HCNINSWMWQQKRI-ONGXEEELSA-N 1 0 238.400 3.681 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000309547741 386018592 /nfs/dbraw/zinc/01/85/92/386018592.db2.gz IYQMAKZOZSRVGJ-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000309547742 386018132 /nfs/dbraw/zinc/01/81/32/386018132.db2.gz IYQMAKZOZSRVGJ-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000309547743 386017992 /nfs/dbraw/zinc/01/79/92/386017992.db2.gz IYQMAKZOZSRVGJ-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000309547744 386018612 /nfs/dbraw/zinc/01/86/12/386018612.db2.gz IYQMAKZOZSRVGJ-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cc2c(s1)CCC2 ZINC000309547867 385682163 /nfs/dbraw/zinc/68/21/63/385682163.db2.gz HILJDBVDEZHYKZ-JTQLQIEISA-N 1 0 235.396 3.688 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cc2c(s1)CCC2 ZINC000309547868 385682026 /nfs/dbraw/zinc/68/20/26/385682026.db2.gz HILJDBVDEZHYKZ-SNVBAGLBSA-N 1 0 235.396 3.688 20 0 BHADRO CC[C@H](CC(F)(F)F)Nc1cc[nH+]c(C)c1 ZINC000309548732 384121938 /nfs/dbraw/zinc/12/19/38/384121938.db2.gz HMZYMBZTZRFYNL-SECBINFHSA-N 1 0 232.249 3.533 20 0 BHADRO CC[C@@H](CC(F)(F)F)Nc1cc[nH+]c(C)c1 ZINC000309548734 529459408 /nfs/dbraw/zinc/45/94/08/529459408.db2.gz HMZYMBZTZRFYNL-VIFPVBQESA-N 1 0 232.249 3.533 20 0 BHADRO FC1(CC[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC000309548857 385680942 /nfs/dbraw/zinc/68/09/42/385680942.db2.gz FEDFXIQOXGTNRI-UHFFFAOYSA-N 1 0 241.737 3.712 20 0 BHADRO FC1(CC[NH2+]C2CCC3(CC3)CC2)CCC1 ZINC000309548869 180913022 /nfs/dbraw/zinc/91/30/22/180913022.db2.gz FEFZHUKOVOIJKS-UHFFFAOYSA-N 1 0 225.351 3.581 20 0 BHADRO C(CC1CCCCC1)[NH2+]C12CCC(CC1)C2 ZINC000309548922 633197529 /nfs/dbraw/zinc/19/75/29/633197529.db2.gz JIVMDFASHICNMP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000309549859 326158367 /nfs/dbraw/zinc/15/83/67/326158367.db2.gz HWCIKPBLSUEKQC-JTQLQIEISA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000309549862 326158363 /nfs/dbraw/zinc/15/83/63/326158363.db2.gz HWCIKPBLSUEKQC-SNVBAGLBSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](F)CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309550214 384121765 /nfs/dbraw/zinc/12/17/65/384121765.db2.gz HYZBPOCRLOHJSD-JTQLQIEISA-N 1 0 241.737 3.667 20 0 BHADRO C[C@@H](F)CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309550215 384121750 /nfs/dbraw/zinc/12/17/50/384121750.db2.gz HYZBPOCRLOHJSD-SNVBAGLBSA-N 1 0 241.737 3.667 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)Cc1cccs1 ZINC000309550566 384121967 /nfs/dbraw/zinc/12/19/67/384121967.db2.gz ICPJSDYLTZNQBJ-CIQGVGRVSA-N 1 0 237.412 3.561 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)Cc1cccs1 ZINC000309550567 384122579 /nfs/dbraw/zinc/12/25/79/384122579.db2.gz ICPJSDYLTZNQBJ-FMCLSXCISA-N 1 0 237.412 3.561 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)Cc1cccs1 ZINC000309550569 384122471 /nfs/dbraw/zinc/12/24/71/384122471.db2.gz ICPJSDYLTZNQBJ-KZVDOYCCSA-N 1 0 237.412 3.561 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)Cc1cccs1 ZINC000309550571 384121253 /nfs/dbraw/zinc/12/12/53/384121253.db2.gz ICPJSDYLTZNQBJ-ZJQBRPOHSA-N 1 0 237.412 3.561 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000309550931 633953488 /nfs/dbraw/zinc/95/34/88/633953488.db2.gz IFCZJGRLHUPMRY-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000309550932 632480712 /nfs/dbraw/zinc/48/07/12/632480712.db2.gz IFCZJGRLHUPMRY-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C1(C2CC2)CC1 ZINC000309551855 350748814 /nfs/dbraw/zinc/74/88/14/350748814.db2.gz KPCACECRWOJXJN-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(Cl)nc1 ZINC000309552017 633196167 /nfs/dbraw/zinc/19/61/67/633196167.db2.gz IMMKWQZAJBDHRV-SECBINFHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(Cl)nc1 ZINC000309552019 633196199 /nfs/dbraw/zinc/19/61/99/633196199.db2.gz IMMKWQZAJBDHRV-VIFPVBQESA-N 1 0 238.762 3.574 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000309553787 632490485 /nfs/dbraw/zinc/49/04/85/632490485.db2.gz JBAJHCDPGQIIED-GHMZBOCLSA-N 1 0 234.368 3.796 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000309553788 632492126 /nfs/dbraw/zinc/49/21/26/632492126.db2.gz JBAJHCDPGQIIED-MNOVXSKESA-N 1 0 234.368 3.796 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000309553789 632490585 /nfs/dbraw/zinc/49/05/85/632490585.db2.gz JBAJHCDPGQIIED-QWRGUYRKSA-N 1 0 234.368 3.796 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000309553791 633195118 /nfs/dbraw/zinc/19/51/18/633195118.db2.gz JBAJHCDPGQIIED-WDEREUQCSA-N 1 0 234.368 3.796 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000309553848 388456810 /nfs/dbraw/zinc/45/68/10/388456810.db2.gz JCTGXOZVEGGTND-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000309553849 388456260 /nfs/dbraw/zinc/45/62/60/388456260.db2.gz JCTGXOZVEGGTND-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000309553850 388456178 /nfs/dbraw/zinc/45/61/78/388456178.db2.gz JCTGXOZVEGGTND-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000309553851 388456370 /nfs/dbraw/zinc/45/63/70/388456370.db2.gz JCTGXOZVEGGTND-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccoc1 ZINC000309554010 491151308 /nfs/dbraw/zinc/15/13/08/491151308.db2.gz JELOWHODMSAVJG-LLVKDONJSA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccoc1 ZINC000309554011 491151280 /nfs/dbraw/zinc/15/12/80/491151280.db2.gz JELOWHODMSAVJG-NSHDSACASA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CC1)c1cccc(Cl)c1 ZINC000309554533 229453606 /nfs/dbraw/zinc/45/36/06/229453606.db2.gz JIWGHQKNQNXBIW-LLVKDONJSA-N 1 0 237.774 3.833 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CC1)c1cccc(Cl)c1 ZINC000309554534 388456897 /nfs/dbraw/zinc/45/68/97/388456897.db2.gz JIWGHQKNQNXBIW-NSHDSACASA-N 1 0 237.774 3.833 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCS1)C1CCCCCC1 ZINC000309554979 388456553 /nfs/dbraw/zinc/45/65/53/388456553.db2.gz JKOBBZWRQBGPAR-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCS1)C1CCCCCC1 ZINC000309554982 388456723 /nfs/dbraw/zinc/45/67/23/388456723.db2.gz JKOBBZWRQBGPAR-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCS1)C1CCCCCC1 ZINC000309554984 388456804 /nfs/dbraw/zinc/45/68/04/388456804.db2.gz JKOBBZWRQBGPAR-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCS1)C1CCCCCC1 ZINC000309554986 388456690 /nfs/dbraw/zinc/45/66/90/388456690.db2.gz JKOBBZWRQBGPAR-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](C[NH2+]C1(C)CCC1)c1cccc(Cl)c1 ZINC000309555024 387820378 /nfs/dbraw/zinc/82/03/78/387820378.db2.gz JKURYNFMHVRNCY-LLVKDONJSA-N 1 0 237.774 3.976 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CCC1)c1cccc(Cl)c1 ZINC000309555025 387821331 /nfs/dbraw/zinc/82/13/31/387821331.db2.gz JKURYNFMHVRNCY-NSHDSACASA-N 1 0 237.774 3.976 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)c(C)c1 ZINC000309555051 259316423 /nfs/dbraw/zinc/31/64/23/259316423.db2.gz JLLKMHDLLIOQNZ-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)c(C)c1 ZINC000309555052 259316339 /nfs/dbraw/zinc/31/63/39/259316339.db2.gz JLLKMHDLLIOQNZ-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)c(C)c1 ZINC000309555053 259316457 /nfs/dbraw/zinc/31/64/57/259316457.db2.gz JLLKMHDLLIOQNZ-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)c(C)c1 ZINC000309555054 259316624 /nfs/dbraw/zinc/31/66/24/259316624.db2.gz JLLKMHDLLIOQNZ-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO FC1(CC[NH2+]CCC2CCCCC2)CCC1 ZINC000309555154 259316486 /nfs/dbraw/zinc/31/64/86/259316486.db2.gz HHVKFINFNNYNTF-UHFFFAOYSA-N 1 0 227.367 3.829 20 0 BHADRO C1=C(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000309556325 188168328 /nfs/dbraw/zinc/16/83/28/188168328.db2.gz MQCDKHRIWAVRSB-CABCVRRESA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@H]2CC[C@H]2C2CCC2)CCC1 ZINC000309556326 187309397 /nfs/dbraw/zinc/30/93/97/187309397.db2.gz MQCDKHRIWAVRSB-GJZGRUSLSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000309556327 188168373 /nfs/dbraw/zinc/16/83/73/188168373.db2.gz MQCDKHRIWAVRSB-HUUCEWRRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC1 ZINC000309556328 187821259 /nfs/dbraw/zinc/82/12/59/187821259.db2.gz MQCDKHRIWAVRSB-LSDHHAIUSA-N 1 0 219.372 3.655 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCC1 ZINC000309556469 388456186 /nfs/dbraw/zinc/45/61/86/388456186.db2.gz HUHXMNSSTMFRKF-KBPBESRZSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CCCC1 ZINC000309556470 388456795 /nfs/dbraw/zinc/45/67/95/388456795.db2.gz HUHXMNSSTMFRKF-KGLIPLIRSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CCCC1 ZINC000309556471 259316633 /nfs/dbraw/zinc/31/66/33/259316633.db2.gz HUHXMNSSTMFRKF-UONOGXRCSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CC1CCCC1 ZINC000309556472 259316662 /nfs/dbraw/zinc/31/66/62/259316662.db2.gz HUHXMNSSTMFRKF-ZIAGYGMSSA-N 1 0 227.367 3.685 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000309556661 259343549 /nfs/dbraw/zinc/34/35/49/259343549.db2.gz MTDUVXCZLAIYQD-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CCC23CCC3)c1 ZINC000309556662 259343267 /nfs/dbraw/zinc/34/32/67/259343267.db2.gz MTDUVXCZLAIYQD-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C(F)F)CC2)s1 ZINC000309557641 187309507 /nfs/dbraw/zinc/30/95/07/187309507.db2.gz KCHFMSSIJFDZPD-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C(F)F)CC2)s1 ZINC000309557642 187653071 /nfs/dbraw/zinc/65/30/71/187653071.db2.gz KCHFMSSIJFDZPD-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000309558785 326159035 /nfs/dbraw/zinc/15/90/35/326159035.db2.gz IPLHXBIMASMGTP-KBPBESRZSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000309558787 326158963 /nfs/dbraw/zinc/15/89/63/326158963.db2.gz IPLHXBIMASMGTP-KGLIPLIRSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000309558788 326159245 /nfs/dbraw/zinc/15/92/45/326159245.db2.gz IPLHXBIMASMGTP-UONOGXRCSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000309558790 387820186 /nfs/dbraw/zinc/82/01/86/387820186.db2.gz IPLHXBIMASMGTP-ZIAGYGMSSA-N 1 0 227.367 3.685 20 0 BHADRO C(C[NH2+]C1(C2CC2)CC1)CC1CCCCC1 ZINC000309558944 387820971 /nfs/dbraw/zinc/82/09/71/387820971.db2.gz NOKJWGBIFKNXAB-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000309559221 632496062 /nfs/dbraw/zinc/49/60/62/632496062.db2.gz KNHOLNDJBJGYMG-GCVQQVDUSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000309559222 632496426 /nfs/dbraw/zinc/49/64/26/632496426.db2.gz KNHOLNDJBJGYMG-OIKLOGQESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCC(F)(F)C2)C[C@H](C)C1 ZINC000309559440 491151437 /nfs/dbraw/zinc/15/14/37/491151437.db2.gz NUYXZFCKKKKDIQ-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[C@@H](C)C1 ZINC000309559441 491151483 /nfs/dbraw/zinc/15/14/83/491151483.db2.gz NUYXZFCKKKKDIQ-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCC(F)(F)C2)C[C@H](C)C1 ZINC000309559442 491151518 /nfs/dbraw/zinc/15/15/18/491151518.db2.gz NUYXZFCKKKKDIQ-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[C@@H](C)C1 ZINC000309559443 491151509 /nfs/dbraw/zinc/15/15/09/491151509.db2.gz NUYXZFCKKKKDIQ-WHOHXGKFSA-N 1 0 231.330 3.589 20 0 BHADRO c1csc(C[NH2+]CCC2=CCCCCC2)n1 ZINC000309559508 491151520 /nfs/dbraw/zinc/15/15/20/491151520.db2.gz NYTYITIIUNXXKR-UHFFFAOYSA-N 1 0 236.384 3.513 20 0 BHADRO CC[C@H](CC(F)(F)F)Nc1cc[nH+]cc1C ZINC000309559879 388457532 /nfs/dbraw/zinc/45/75/32/388457532.db2.gz KSKSYMWDQRDRKF-SECBINFHSA-N 1 0 232.249 3.533 20 0 BHADRO CC[C@@H](CC(F)(F)F)Nc1cc[nH+]cc1C ZINC000309559882 388457634 /nfs/dbraw/zinc/45/76/34/388457634.db2.gz KSKSYMWDQRDRKF-VIFPVBQESA-N 1 0 232.249 3.533 20 0 BHADRO C(CCC1CCCC1)C[NH2+]C[C@@H]1CCSC1 ZINC000309560510 388457514 /nfs/dbraw/zinc/45/75/14/388457514.db2.gz OLXNDNSENOHGBP-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C(CCC1CCCC1)C[NH2+]C[C@H]1CCSC1 ZINC000309560511 388457159 /nfs/dbraw/zinc/45/71/59/388457159.db2.gz OLXNDNSENOHGBP-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(C)(C)C ZINC000309560983 259316626 /nfs/dbraw/zinc/31/66/26/259316626.db2.gz KZZCSKLZBKSSGI-KPPDAEKUSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(C)(C)C ZINC000309560986 259316625 /nfs/dbraw/zinc/31/66/25/259316625.db2.gz KZZCSKLZBKSSGI-WHXUTIOJSA-N 1 0 233.346 3.835 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC23CCCC3)o1 ZINC000309561245 385691354 /nfs/dbraw/zinc/69/13/54/385691354.db2.gz JIZGNQDTHYCQSE-LLVKDONJSA-N 1 0 239.746 3.745 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC23CCCC3)o1 ZINC000309561246 385691877 /nfs/dbraw/zinc/69/18/77/385691877.db2.gz JIZGNQDTHYCQSE-NSHDSACASA-N 1 0 239.746 3.745 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@@H]1C=CCCC1 ZINC000309561290 259316654 /nfs/dbraw/zinc/31/66/54/259316654.db2.gz JLNMYYYKRDTUDB-GFCCVEGCSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@H]1C=CCCC1 ZINC000309561291 259316363 /nfs/dbraw/zinc/31/63/63/259316363.db2.gz JLNMYYYKRDTUDB-LBPRGKRZSA-N 1 0 239.721 3.677 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000309561387 384131769 /nfs/dbraw/zinc/13/17/69/384131769.db2.gz LELFGBDAQRUJEO-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000309561388 384129938 /nfs/dbraw/zinc/12/99/38/384129938.db2.gz LELFGBDAQRUJEO-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)C1CCC(F)(F)CC1 ZINC000309561389 384130107 /nfs/dbraw/zinc/13/01/07/384130107.db2.gz LELFGBDAQRUJEO-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000309561390 384130816 /nfs/dbraw/zinc/13/08/16/384130816.db2.gz LELFGBDAQRUJEO-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](F)CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309561859 259315855 /nfs/dbraw/zinc/31/58/55/259315855.db2.gz LHGFKHPJFAAJOI-JTQLQIEISA-N 1 0 241.737 3.667 20 0 BHADRO C[C@@H](F)CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309561861 259315905 /nfs/dbraw/zinc/31/59/05/259315905.db2.gz LHGFKHPJFAAJOI-SNVBAGLBSA-N 1 0 241.737 3.667 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309562001 491151613 /nfs/dbraw/zinc/15/16/13/491151613.db2.gz PEIHXUNAKKYZNB-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309562005 491151625 /nfs/dbraw/zinc/15/16/25/491151625.db2.gz PEIHXUNAKKYZNB-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309562010 491151573 /nfs/dbraw/zinc/15/15/73/491151573.db2.gz PEIHXUNAKKYZNB-OUAUKWLOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309562014 491151691 /nfs/dbraw/zinc/15/16/91/491151691.db2.gz PEIHXUNAKKYZNB-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)C1CCC(F)(F)CC1 ZINC000309562074 533526264 /nfs/dbraw/zinc/52/62/64/533526264.db2.gz LHMAAFPPXJJUTD-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)C1CCC(F)(F)CC1 ZINC000309562078 384131033 /nfs/dbraw/zinc/13/10/33/384131033.db2.gz LHMAAFPPXJJUTD-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CCC(F)(F)CC1 ZINC000309562085 384131740 /nfs/dbraw/zinc/13/17/40/384131740.db2.gz LHMAAFPPXJJUTD-JFGNBEQYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)C1CCC(F)(F)CC1 ZINC000309562093 384131440 /nfs/dbraw/zinc/13/14/40/384131440.db2.gz LHMAAFPPXJJUTD-SCVCMEIPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccccc1Cl ZINC000309562638 326160893 /nfs/dbraw/zinc/16/08/93/326160893.db2.gz LKLWGUZHIHRCCZ-JTQLQIEISA-N 1 0 235.758 3.933 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccccc1Cl ZINC000309562639 326161018 /nfs/dbraw/zinc/16/10/18/326161018.db2.gz LKLWGUZHIHRCCZ-SNVBAGLBSA-N 1 0 235.758 3.933 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)ccc1F ZINC000309563014 491151677 /nfs/dbraw/zinc/15/16/77/491151677.db2.gz LNRNQKKLVUUFES-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CC2)ccc1F ZINC000309563019 491151699 /nfs/dbraw/zinc/15/16/99/491151699.db2.gz LNRNQKKLVUUFES-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)C1CCC(F)(F)CC1 ZINC000309563440 385694591 /nfs/dbraw/zinc/69/45/91/385694591.db2.gz LQFJGXGAXJUAKN-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)C1CCC(F)(F)CC1 ZINC000309563448 385694338 /nfs/dbraw/zinc/69/43/38/385694338.db2.gz LQFJGXGAXJUAKN-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000309563488 711699648 /nfs/dbraw/zinc/69/96/48/711699648.db2.gz LQTQLTRMIXDAHZ-GHMZBOCLSA-N 1 0 240.416 3.586 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000309563489 632534464 /nfs/dbraw/zinc/53/44/64/632534464.db2.gz LQTQLTRMIXDAHZ-MNOVXSKESA-N 1 0 240.416 3.586 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000309563490 632534663 /nfs/dbraw/zinc/53/46/63/632534663.db2.gz LQTQLTRMIXDAHZ-QWRGUYRKSA-N 1 0 240.416 3.586 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c1ccc[nH]1 ZINC000309563491 632533764 /nfs/dbraw/zinc/53/37/64/632533764.db2.gz LQTQLTRMIXDAHZ-WDEREUQCSA-N 1 0 240.416 3.586 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC000309564895 388457485 /nfs/dbraw/zinc/45/74/85/388457485.db2.gz LYMOKQVWGPGAKC-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC000309564896 388457173 /nfs/dbraw/zinc/45/71/73/388457173.db2.gz LYMOKQVWGPGAKC-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO c1csc(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000309565892 385697248 /nfs/dbraw/zinc/69/72/48/385697248.db2.gz QOUKSYGSNVJOSZ-UHFFFAOYSA-N 1 0 235.396 3.603 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000309566129 388457420 /nfs/dbraw/zinc/45/74/20/388457420.db2.gz MFGMOHSXDWNTSZ-JTQLQIEISA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000309566130 388457621 /nfs/dbraw/zinc/45/76/21/388457621.db2.gz MFGMOHSXDWNTSZ-SNVBAGLBSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309566595 491151744 /nfs/dbraw/zinc/15/17/44/491151744.db2.gz MIBWJLAFDBGQTA-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309566596 491151756 /nfs/dbraw/zinc/15/17/56/491151756.db2.gz MIBWJLAFDBGQTA-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000309566597 491151752 /nfs/dbraw/zinc/15/17/52/491151752.db2.gz MIBWJLAFDBGQTA-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000309566598 491151706 /nfs/dbraw/zinc/15/17/06/491151706.db2.gz MIBWJLAFDBGQTA-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CC1CC(C)(C)C1 ZINC000309566800 491151763 /nfs/dbraw/zinc/15/17/63/491151763.db2.gz MJERLAJYIGNXIK-LLVKDONJSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CC1CC(C)(C)C1 ZINC000309566801 491151720 /nfs/dbraw/zinc/15/17/20/491151720.db2.gz MJERLAJYIGNXIK-NSHDSACASA-N 1 0 237.412 3.705 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000309567757 326161109 /nfs/dbraw/zinc/16/11/09/326161109.db2.gz LMKLBRKJAMSFDS-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000309568633 176893440 /nfs/dbraw/zinc/89/34/40/176893440.db2.gz MZCSPGJJICJABC-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000309568634 386282914 /nfs/dbraw/zinc/28/29/14/386282914.db2.gz MZCSPGJJICJABC-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000309568635 385705479 /nfs/dbraw/zinc/70/54/79/385705479.db2.gz MZCSPGJJICJABC-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000309568636 385704515 /nfs/dbraw/zinc/70/45/15/385704515.db2.gz MZCSPGJJICJABC-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccs1 ZINC000309568662 385705095 /nfs/dbraw/zinc/70/50/95/385705095.db2.gz MZSAWWMIDXCUHR-SECBINFHSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccs1 ZINC000309568663 385704627 /nfs/dbraw/zinc/70/46/27/385704627.db2.gz MZSAWWMIDXCUHR-VIFPVBQESA-N 1 0 245.338 3.977 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)s1 ZINC000309569560 491151818 /nfs/dbraw/zinc/15/18/18/491151818.db2.gz NGMJAVOKSVQWOH-JBLDHEPKSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)s1 ZINC000309569563 491151773 /nfs/dbraw/zinc/15/17/73/491151773.db2.gz NGMJAVOKSVQWOH-JFGNBEQYSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)s1 ZINC000309569567 491151814 /nfs/dbraw/zinc/15/18/14/491151814.db2.gz NGMJAVOKSVQWOH-NHCYSSNCSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)s1 ZINC000309569570 491151829 /nfs/dbraw/zinc/15/18/29/491151829.db2.gz NGMJAVOKSVQWOH-SCVCMEIPSA-N 1 0 238.400 3.538 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC12CCCC2 ZINC000309570697 633201196 /nfs/dbraw/zinc/20/11/96/633201196.db2.gz NNDCTURHEGGZBT-NEPJUHHUSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC12CCCC2 ZINC000309570698 633201575 /nfs/dbraw/zinc/20/15/75/633201575.db2.gz NNDCTURHEGGZBT-NWDGAFQWSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC12CCCC2 ZINC000309570699 633200608 /nfs/dbraw/zinc/20/06/08/633200608.db2.gz NNDCTURHEGGZBT-RYUDHWBXSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC12CCCC2 ZINC000309570700 633200836 /nfs/dbraw/zinc/20/08/36/633200836.db2.gz NNDCTURHEGGZBT-VXGBXAGGSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CCC1 ZINC000309570953 176828977 /nfs/dbraw/zinc/82/89/77/176828977.db2.gz NPOHNVKXOSSACG-GCVQQVDUSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CCC1 ZINC000309570955 385700221 /nfs/dbraw/zinc/70/02/21/385700221.db2.gz NPOHNVKXOSSACG-OIKLOGQESA-N 1 0 231.330 3.589 20 0 BHADRO CCC1(C)CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000309571153 259316988 /nfs/dbraw/zinc/31/69/88/259316988.db2.gz NRGNSSIRLDYYEV-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000309571219 259316729 /nfs/dbraw/zinc/31/67/29/259316729.db2.gz MZBDSHYCLRBMRU-BFHYXJOUSA-N 1 0 225.351 3.603 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000309571221 259316709 /nfs/dbraw/zinc/31/67/09/259316709.db2.gz MZBDSHYCLRBMRU-IHRRRGAJSA-N 1 0 225.351 3.603 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000309571223 259316887 /nfs/dbraw/zinc/31/68/87/259316887.db2.gz MZBDSHYCLRBMRU-MELADBBJSA-N 1 0 225.351 3.603 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000309571225 259316758 /nfs/dbraw/zinc/31/67/58/259316758.db2.gz MZBDSHYCLRBMRU-MJBXVCDLSA-N 1 0 225.351 3.603 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000309571507 388457437 /nfs/dbraw/zinc/45/74/37/388457437.db2.gz NTXITZCJBXFHJO-GFCCVEGCSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000309571508 534055692 /nfs/dbraw/zinc/05/56/92/534055692.db2.gz NTXITZCJBXFHJO-LBPRGKRZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(Cl)cn1 ZINC000309571746 632537616 /nfs/dbraw/zinc/53/76/16/632537616.db2.gz NUXKVUWCOLWJBL-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)cn1 ZINC000309571748 632537742 /nfs/dbraw/zinc/53/77/42/632537742.db2.gz NUXKVUWCOLWJBL-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C1(C)CC1 ZINC000309571749 632536993 /nfs/dbraw/zinc/53/69/93/632536993.db2.gz NUXKVUWCOLWJBL-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)cn1 ZINC000309571750 633957689 /nfs/dbraw/zinc/95/76/89/633957689.db2.gz NUXKVUWCOLWJBL-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309572277 259316846 /nfs/dbraw/zinc/31/68/46/259316846.db2.gz NYWPBCVDTPNJRP-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000309572487 633957333 /nfs/dbraw/zinc/95/73/33/633957333.db2.gz NMJOGPUDJJJTAX-KBPBESRZSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000309572488 632537122 /nfs/dbraw/zinc/53/71/22/632537122.db2.gz NMJOGPUDJJJTAX-KGLIPLIRSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000309572489 632537759 /nfs/dbraw/zinc/53/77/59/632537759.db2.gz NMJOGPUDJJJTAX-UONOGXRCSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000309572490 632537847 /nfs/dbraw/zinc/53/78/47/632537847.db2.gz NMJOGPUDJJJTAX-ZIAGYGMSSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC(C)(C)C1 ZINC000309572584 388457368 /nfs/dbraw/zinc/45/73/68/388457368.db2.gz NYWPBCVDTPNJRP-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309572587 533521282 /nfs/dbraw/zinc/52/12/82/533521282.db2.gz NYWPBCVDTPNJRP-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC(C)(C)C1 ZINC000309572588 388457266 /nfs/dbraw/zinc/45/72/66/388457266.db2.gz NYWPBCVDTPNJRP-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000309573258 370231889 /nfs/dbraw/zinc/23/18/89/370231889.db2.gz OENQPKWAPAAZMB-NXEZZACHSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C(C)(C)C ZINC000309573260 370231665 /nfs/dbraw/zinc/23/16/65/370231665.db2.gz OENQPKWAPAAZMB-VHSXEESVSA-N 1 0 240.778 3.820 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000309573356 491151955 /nfs/dbraw/zinc/15/19/55/491151955.db2.gz NSESBJMPVZGPLK-GFCCVEGCSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000309573357 491151950 /nfs/dbraw/zinc/15/19/50/491151950.db2.gz NSESBJMPVZGPLK-LBPRGKRZSA-N 1 0 231.330 3.734 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CCCCCC1 ZINC000309573994 259316696 /nfs/dbraw/zinc/31/66/96/259316696.db2.gz OIXOWGKEVHAGLK-FPMFFAJLSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CCCCCC1 ZINC000309573995 259316893 /nfs/dbraw/zinc/31/68/93/259316893.db2.gz OIXOWGKEVHAGLK-IACUBPJLSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CCCCCC1 ZINC000309573996 259316957 /nfs/dbraw/zinc/31/69/57/259316957.db2.gz OIXOWGKEVHAGLK-UBHSHLNASA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CCCCCC1 ZINC000309573997 259316882 /nfs/dbraw/zinc/31/68/82/259316882.db2.gz OIXOWGKEVHAGLK-YUTCNCBUSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)C1CCCC1 ZINC000309574000 259316945 /nfs/dbraw/zinc/31/69/45/259316945.db2.gz OJBUFOGNFJNKMO-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CCCC1 ZINC000309574001 259316845 /nfs/dbraw/zinc/31/68/45/259316845.db2.gz OJBUFOGNFJNKMO-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCCC1(F)F ZINC000309574012 491151931 /nfs/dbraw/zinc/15/19/31/491151931.db2.gz OJLQGFSKXHWVKC-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCCC1(F)F ZINC000309574013 491151905 /nfs/dbraw/zinc/15/19/05/491151905.db2.gz OJLQGFSKXHWVKC-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC1(F)F ZINC000309574014 491151979 /nfs/dbraw/zinc/15/19/79/491151979.db2.gz OJLQGFSKXHWVKC-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC1(F)F ZINC000309574015 491151965 /nfs/dbraw/zinc/15/19/65/491151965.db2.gz OJLQGFSKXHWVKC-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000309574448 388457155 /nfs/dbraw/zinc/45/71/55/388457155.db2.gz OLTUMQIDYINXPQ-CYBMUJFWSA-N 1 0 219.372 3.501 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000309574450 388457108 /nfs/dbraw/zinc/45/71/08/388457108.db2.gz OLTUMQIDYINXPQ-ZDUSSCGKSA-N 1 0 219.372 3.501 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccoc1 ZINC000309574529 326159553 /nfs/dbraw/zinc/15/95/53/326159553.db2.gz OMXPWKOVSBSEGP-SECBINFHSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccoc1 ZINC000309574530 326159628 /nfs/dbraw/zinc/15/96/28/326159628.db2.gz OMXPWKOVSBSEGP-VIFPVBQESA-N 1 0 229.270 3.508 20 0 BHADRO FC(F)(F)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000309574792 385707333 /nfs/dbraw/zinc/70/73/33/385707333.db2.gz OLVIQGUYJRTBHX-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO Cl/C=C/C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309575694 632540146 /nfs/dbraw/zinc/54/01/46/632540146.db2.gz OTAYMWWZMKBQDW-CEOUIICOSA-N 1 0 235.758 3.870 20 0 BHADRO Cl/C=C\C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309575696 632539376 /nfs/dbraw/zinc/53/93/76/632539376.db2.gz OTAYMWWZMKBQDW-DFGFTWQDSA-N 1 0 235.758 3.870 20 0 BHADRO Cl/C=C/C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309575698 632539021 /nfs/dbraw/zinc/53/90/21/632539021.db2.gz OTAYMWWZMKBQDW-MDDUGHTDSA-N 1 0 235.758 3.870 20 0 BHADRO Cl/C=C\C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309575700 632540133 /nfs/dbraw/zinc/54/01/33/632540133.db2.gz OTAYMWWZMKBQDW-RXTQTKKPSA-N 1 0 235.758 3.870 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000309576073 633203681 /nfs/dbraw/zinc/20/36/81/633203681.db2.gz OYZNOKWLPUVADN-LLVKDONJSA-N 1 0 223.335 3.565 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)c1cccc(F)c1 ZINC000309576074 633203630 /nfs/dbraw/zinc/20/36/30/633203630.db2.gz OYZNOKWLPUVADN-NSHDSACASA-N 1 0 223.335 3.565 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000309576104 388457619 /nfs/dbraw/zinc/45/76/19/388457619.db2.gz PADPJQVYXKYQOO-CYBMUJFWSA-N 1 0 227.367 3.993 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000309576105 527426119 /nfs/dbraw/zinc/42/61/19/527426119.db2.gz PADPJQVYXKYQOO-ZDUSSCGKSA-N 1 0 227.367 3.993 20 0 BHADRO FCCCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309576272 259316829 /nfs/dbraw/zinc/31/68/29/259316829.db2.gz OWMIWJDFQUFAPI-CYBMUJFWSA-N 1 0 241.375 3.929 20 0 BHADRO FCCCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000309576273 259316763 /nfs/dbraw/zinc/31/67/63/259316763.db2.gz OWMIWJDFQUFAPI-ZDUSSCGKSA-N 1 0 241.375 3.929 20 0 BHADRO Fc1ccc(Cl)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000309576283 326161379 /nfs/dbraw/zinc/16/13/79/326161379.db2.gz OXCOJXLVBVLXRM-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)s1 ZINC000309576559 632538954 /nfs/dbraw/zinc/53/89/54/632538954.db2.gz PBWBSKUKBOALQS-CYZMBNFOSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)s1 ZINC000309576561 632539053 /nfs/dbraw/zinc/53/90/53/632539053.db2.gz PBWBSKUKBOALQS-DRZSPHRISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)s1 ZINC000309576563 633203104 /nfs/dbraw/zinc/20/31/04/633203104.db2.gz PBWBSKUKBOALQS-UHTWSYAYSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)s1 ZINC000309576565 633203728 /nfs/dbraw/zinc/20/37/28/633203728.db2.gz PBWBSKUKBOALQS-WCFLWFBJSA-N 1 0 235.396 3.896 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000309576689 388458341 /nfs/dbraw/zinc/45/83/41/388458341.db2.gz PDKAIRLYILMECV-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[C@H]1C ZINC000309576690 533812372 /nfs/dbraw/zinc/81/23/72/533812372.db2.gz PDKAIRLYILMECV-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000309576691 388458149 /nfs/dbraw/zinc/45/81/49/388458149.db2.gz PDKAIRLYILMECV-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000309576692 388457937 /nfs/dbraw/zinc/45/79/37/388457937.db2.gz PDKAIRLYILMECV-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@@H]2C=CCCC2)c1 ZINC000309576786 388458127 /nfs/dbraw/zinc/45/81/27/388458127.db2.gz PAHQLPUOTVVAOR-CYBMUJFWSA-N 1 0 239.721 3.677 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@H]2C=CCCC2)c1 ZINC000309576788 388458424 /nfs/dbraw/zinc/45/84/24/388458424.db2.gz PAHQLPUOTVVAOR-ZDUSSCGKSA-N 1 0 239.721 3.677 20 0 BHADRO FC1(CC[NH2+]CC2CCCCCC2)CCC1 ZINC000309577263 259316931 /nfs/dbraw/zinc/31/69/31/259316931.db2.gz PDQLZZUNWKXUDL-UHFFFAOYSA-N 1 0 227.367 3.829 20 0 BHADRO FC1(CC[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC000309577288 385708696 /nfs/dbraw/zinc/70/86/96/385708696.db2.gz PFFVWUMXBMUHPO-UHFFFAOYSA-N 1 0 241.737 3.712 20 0 BHADRO FCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000309577742 385709234 /nfs/dbraw/zinc/70/92/34/385709234.db2.gz PHGRIIZWRBTEFT-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO FCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000309577743 385708862 /nfs/dbraw/zinc/70/88/62/385708862.db2.gz PHGRIIZWRBTEFT-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C1CCCC1 ZINC000309578765 388457914 /nfs/dbraw/zinc/45/79/14/388457914.db2.gz PTIRPLUYCGPAPU-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CCCC1 ZINC000309578766 533520811 /nfs/dbraw/zinc/52/08/11/533520811.db2.gz PTIRPLUYCGPAPU-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C1CCCC1 ZINC000309578970 388457922 /nfs/dbraw/zinc/45/79/22/388457922.db2.gz PTIRPLUYCGPAPU-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CCCC1 ZINC000309578973 388458369 /nfs/dbraw/zinc/45/83/69/388458369.db2.gz PTIRPLUYCGPAPU-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO FC(F)C1([NH2+]CC2CCCCC2)CCCC1 ZINC000309579010 491152116 /nfs/dbraw/zinc/15/21/16/491152116.db2.gz PSBVWNKZTPDDGJ-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000309579070 343406797 /nfs/dbraw/zinc/40/67/97/343406797.db2.gz PVBQRHANHOJHON-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000309579074 398028838 /nfs/dbraw/zinc/02/88/38/398028838.db2.gz PVBQRHANHOJHON-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000309579077 398028800 /nfs/dbraw/zinc/02/88/00/398028800.db2.gz PVBQRHANHOJHON-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000309579079 518186941 /nfs/dbraw/zinc/18/69/41/518186941.db2.gz PVBQRHANHOJHON-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO CCC1(C)CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000309579424 326161538 /nfs/dbraw/zinc/16/15/38/326161538.db2.gz PYKUMLSJBRSEFZ-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO FCCCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000309580034 388458193 /nfs/dbraw/zinc/45/81/93/388458193.db2.gz PYVBAOHSSOWTFV-UHFFFAOYSA-N 1 0 237.309 3.684 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000309580063 632548132 /nfs/dbraw/zinc/54/81/32/632548132.db2.gz PZGDZXMFUODUJH-GFCCVEGCSA-N 1 0 231.330 3.877 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000309580065 632547018 /nfs/dbraw/zinc/54/70/18/632547018.db2.gz PZGDZXMFUODUJH-LBPRGKRZSA-N 1 0 231.330 3.877 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+]C3CC3)oc2c1 ZINC000309580457 385706627 /nfs/dbraw/zinc/70/66/27/385706627.db2.gz QFQBOBISMQDNIS-JTQLQIEISA-N 1 0 215.296 3.554 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+]C3CC3)oc2c1 ZINC000309580459 385707633 /nfs/dbraw/zinc/70/76/33/385707633.db2.gz QFQBOBISMQDNIS-SNVBAGLBSA-N 1 0 215.296 3.554 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]C2CC=CC2)s1 ZINC000309580483 491152095 /nfs/dbraw/zinc/15/20/95/491152095.db2.gz QCKYNIXHAVUZQN-UHFFFAOYSA-N 1 0 247.285 3.575 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000309581093 259317500 /nfs/dbraw/zinc/31/75/00/259317500.db2.gz QIQJPSBEPORKRO-UHFFFAOYSA-N 1 0 223.335 3.841 20 0 BHADRO C(CC1CCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000309581886 388458022 /nfs/dbraw/zinc/45/80/22/388458022.db2.gz SUOBOZHWULMKIP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H](C[NH2+]CC1(C(F)(F)F)CC1)C(C)(C)C ZINC000309582158 491152158 /nfs/dbraw/zinc/15/21/58/491152158.db2.gz QQXRCRWRZDPBRK-SECBINFHSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]CC1(C(F)(F)F)CC1)C(C)(C)C ZINC000309582159 491152181 /nfs/dbraw/zinc/15/21/81/491152181.db2.gz QQXRCRWRZDPBRK-VIFPVBQESA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)C1CCCCCC1 ZINC000309582814 326161594 /nfs/dbraw/zinc/16/15/94/326161594.db2.gz QWXSROPGROSWDG-GFCCVEGCSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)C1CCCCCC1 ZINC000309582816 326161313 /nfs/dbraw/zinc/16/13/13/326161313.db2.gz QWXSROPGROSWDG-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000309582834 256526318 /nfs/dbraw/zinc/52/63/18/256526318.db2.gz QXLFROXECZINQR-CQDKDKBSSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000309582835 384158633 /nfs/dbraw/zinc/15/86/33/384158633.db2.gz QXLFROXECZINQR-GLQYFDAESA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000309582836 384157483 /nfs/dbraw/zinc/15/74/83/384157483.db2.gz QXLFROXECZINQR-NILFDRSVSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000309583037 384157512 /nfs/dbraw/zinc/15/75/12/384157512.db2.gz QXLFROXECZINQR-TUKIKUTGSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)C1CCC(F)(F)CC1 ZINC000309583091 385715244 /nfs/dbraw/zinc/71/52/44/385715244.db2.gz QYLFMHLDIFDDFY-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)C1CCC(F)(F)CC1 ZINC000309583092 385716002 /nfs/dbraw/zinc/71/60/02/385716002.db2.gz QYLFMHLDIFDDFY-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@@H](C)c1ccccc1 ZINC000309583520 388458385 /nfs/dbraw/zinc/45/83/85/388458385.db2.gz RBUBOWGLCOBTAR-CHWSQXEVSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H](C)c1ccccc1 ZINC000309583521 229454286 /nfs/dbraw/zinc/45/42/86/229454286.db2.gz RBUBOWGLCOBTAR-OLZOCXBDSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@H](C)c1ccccc1 ZINC000309583522 533354923 /nfs/dbraw/zinc/35/49/23/533354923.db2.gz RBUBOWGLCOBTAR-QWHCGFSZSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CC1 ZINC000309583523 388458338 /nfs/dbraw/zinc/45/83/38/388458338.db2.gz RBUBOWGLCOBTAR-STQMWFEESA-N 1 0 217.356 3.568 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)C1CCCCC1 ZINC000309583796 229454375 /nfs/dbraw/zinc/45/43/75/229454375.db2.gz RDBFIIINIQTXMI-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCCCC1 ZINC000309583799 533366411 /nfs/dbraw/zinc/36/64/11/533366411.db2.gz RDBFIIINIQTXMI-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC1(C)C ZINC000309583914 176829790 /nfs/dbraw/zinc/82/97/90/176829790.db2.gz REJAWDBSVVLJHH-AAEUAGOBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CC1(C)C ZINC000309583915 385716170 /nfs/dbraw/zinc/71/61/70/385716170.db2.gz REJAWDBSVVLJHH-DGCLKSJQSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CC1(C)C ZINC000309583916 385715555 /nfs/dbraw/zinc/71/55/55/385715555.db2.gz REJAWDBSVVLJHH-WCQYABFASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC1(C)C ZINC000309583917 385714948 /nfs/dbraw/zinc/71/49/48/385714948.db2.gz REJAWDBSVVLJHH-YPMHNXCESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)C1)c1cccc(Cl)c1 ZINC000309584342 388458197 /nfs/dbraw/zinc/45/81/97/388458197.db2.gz RHSIHHMMHYJRSS-CVZZAPKMSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)C1)c1cccc(Cl)c1 ZINC000309584343 388458346 /nfs/dbraw/zinc/45/83/46/388458346.db2.gz RHSIHHMMHYJRSS-IQLKVPPVSA-N 1 0 237.774 3.832 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000309584458 491150837 /nfs/dbraw/zinc/15/08/37/491150837.db2.gz UVCQPWLCINEGTM-GFCCVEGCSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000309584459 491150835 /nfs/dbraw/zinc/15/08/35/491150835.db2.gz UVCQPWLCINEGTM-LBPRGKRZSA-N 1 0 231.330 3.734 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000309584593 388458260 /nfs/dbraw/zinc/45/82/60/388458260.db2.gz RLQTUVZTQYZTRH-AAVRWANBSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000309584866 388458348 /nfs/dbraw/zinc/45/83/48/388458348.db2.gz RLQTUVZTQYZTRH-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000309584867 388458324 /nfs/dbraw/zinc/45/83/24/388458324.db2.gz RLQTUVZTQYZTRH-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000309584868 388458105 /nfs/dbraw/zinc/45/81/05/388458105.db2.gz RLQTUVZTQYZTRH-XJFOESAGSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000309585236 491151567 /nfs/dbraw/zinc/15/15/67/491151567.db2.gz VBNDTSJONQCURS-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000309585237 491151503 /nfs/dbraw/zinc/15/15/03/491151503.db2.gz VBNDTSJONQCURS-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC000309585238 491151517 /nfs/dbraw/zinc/15/15/17/491151517.db2.gz VBNDTSJONQCURS-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[C@H]1C ZINC000309585241 491151562 /nfs/dbraw/zinc/15/15/62/491151562.db2.gz VBNDTSJONQCURS-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309585354 633961745 /nfs/dbraw/zinc/96/17/45/633961745.db2.gz RQEIIYDJHGEBTD-UHFFFAOYSA-N 1 0 240.778 3.712 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000309585711 384157769 /nfs/dbraw/zinc/15/77/69/384157769.db2.gz RSZOFVYZFKYVDM-AAEUAGOBSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000309585712 384158016 /nfs/dbraw/zinc/15/80/16/384158016.db2.gz RSZOFVYZFKYVDM-DGCLKSJQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000309585713 384157529 /nfs/dbraw/zinc/15/75/29/384157529.db2.gz RSZOFVYZFKYVDM-WCQYABFASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000309585714 384157672 /nfs/dbraw/zinc/15/76/72/384157672.db2.gz RSZOFVYZFKYVDM-YPMHNXCESA-N 1 0 235.396 3.540 20 0 BHADRO C1=C(CC[NH2+][C@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000309586282 491152072 /nfs/dbraw/zinc/15/20/72/491152072.db2.gz VSOVNGGEHWWJHI-CABCVRRESA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@H]2CC[C@H]2C2CC2)CCCC1 ZINC000309586283 491152054 /nfs/dbraw/zinc/15/20/54/491152054.db2.gz VSOVNGGEHWWJHI-GJZGRUSLSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000309586284 491152046 /nfs/dbraw/zinc/15/20/46/491152046.db2.gz VSOVNGGEHWWJHI-HUUCEWRRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CC[C@H]2C2CC2)CCCC1 ZINC000309586285 491152044 /nfs/dbraw/zinc/15/20/44/491152044.db2.gz VSOVNGGEHWWJHI-LSDHHAIUSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000309586303 491152100 /nfs/dbraw/zinc/15/21/00/491152100.db2.gz VTPRGUHMNXITOC-CMPLNLGQSA-N 1 0 225.282 3.525 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000309586305 491152131 /nfs/dbraw/zinc/15/21/31/491152131.db2.gz VTPRGUHMNXITOC-JQWIXIFHSA-N 1 0 225.282 3.525 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000309586310 491150665 /nfs/dbraw/zinc/15/06/65/491150665.db2.gz VTPRGUHMNXITOC-PWSUYJOCSA-N 1 0 225.282 3.525 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000309586315 491150672 /nfs/dbraw/zinc/15/06/72/491150672.db2.gz VTPRGUHMNXITOC-ZYHUDNBSSA-N 1 0 225.282 3.525 20 0 BHADRO C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1(C)CC1 ZINC000309586688 632548089 /nfs/dbraw/zinc/54/80/89/632548089.db2.gz RZMVQGWQFJTRIE-QJPTWQEYSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1(C)CC1 ZINC000309586689 632546423 /nfs/dbraw/zinc/54/64/23/632546423.db2.gz RZMVQGWQFJTRIE-SDDRHHMPSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1(C)CC1 ZINC000309586690 632546554 /nfs/dbraw/zinc/54/65/54/632546554.db2.gz RZMVQGWQFJTRIE-SRVKXCTJSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1(C)CC1 ZINC000309586691 632547776 /nfs/dbraw/zinc/54/77/76/632547776.db2.gz RZMVQGWQFJTRIE-TUAOUCFPSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](C[NH2+]C1(C(F)F)CCCC1)C(C)(C)C ZINC000309586814 491150802 /nfs/dbraw/zinc/15/08/02/491150802.db2.gz SBUGQTHHZWNSKL-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+]C1(C(F)F)CCCC1)C(C)(C)C ZINC000309586815 491150818 /nfs/dbraw/zinc/15/08/18/491150818.db2.gz SBUGQTHHZWNSKL-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)C1CCSCC1 ZINC000309586903 388458321 /nfs/dbraw/zinc/45/83/21/388458321.db2.gz SDRSPRUEXMZZGH-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)C1CCSCC1 ZINC000309586904 388458102 /nfs/dbraw/zinc/45/81/02/388458102.db2.gz SDRSPRUEXMZZGH-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C1CCSCC1 ZINC000309586905 388458254 /nfs/dbraw/zinc/45/82/54/388458254.db2.gz SDRSPRUEXMZZGH-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)C1CCSCC1 ZINC000309586907 388458276 /nfs/dbraw/zinc/45/82/76/388458276.db2.gz SDRSPRUEXMZZGH-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C(F)F)C2)s1 ZINC000309587422 633959368 /nfs/dbraw/zinc/95/93/68/633959368.db2.gz SKCSHCSWZKEOJC-IDKOKCKLSA-N 1 0 245.338 3.751 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(F)F)C2)s1 ZINC000309587424 632548601 /nfs/dbraw/zinc/54/86/01/632548601.db2.gz SKCSHCSWZKEOJC-XNWIYYODSA-N 1 0 245.338 3.751 20 0 BHADRO C[C@H](F)CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000309587450 384157263 /nfs/dbraw/zinc/15/72/63/384157263.db2.gz SKLOTPCOQUUUCR-JTQLQIEISA-N 1 0 243.753 3.913 20 0 BHADRO C[C@@H](F)CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000309587451 229587542 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C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CCCC1 ZINC000309588753 384158672 /nfs/dbraw/zinc/15/86/72/384158672.db2.gz TYQFANZYROZUEJ-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO C(C[NH2+][C@H]1CCC12CCC2)CC1CCCC1 ZINC000309588844 384157722 /nfs/dbraw/zinc/15/77/22/384157722.db2.gz XTGIAYIJZARAJY-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(C[NH2+][C@@H]1CCC12CCC2)CC1CCCC1 ZINC000309588845 384158273 /nfs/dbraw/zinc/15/82/73/384158273.db2.gz XTGIAYIJZARAJY-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)CCC1CC1 ZINC000309589015 384157859 /nfs/dbraw/zinc/15/78/59/384157859.db2.gz UAWFOJCQASTLRQ-GFCCVEGCSA-N 1 0 237.412 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)CCC1CC1 ZINC000309589016 229586890 /nfs/dbraw/zinc/58/68/90/229586890.db2.gz UAWFOJCQASTLRQ-LBPRGKRZSA-N 1 0 237.412 3.767 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309589021 384157218 /nfs/dbraw/zinc/15/72/18/384157218.db2.gz UAYODMNREBTYLC-GMTAPVOTSA-N 1 0 243.753 3.780 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309589022 384158498 /nfs/dbraw/zinc/15/84/98/384158498.db2.gz UAYODMNREBTYLC-MXWKQRLJSA-N 1 0 243.753 3.780 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309589023 384157267 /nfs/dbraw/zinc/15/72/67/384157267.db2.gz UAYODMNREBTYLC-OUAUKWLOSA-N 1 0 243.753 3.780 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309589024 384158873 /nfs/dbraw/zinc/15/88/73/384158873.db2.gz UAYODMNREBTYLC-VWYCJHECSA-N 1 0 243.753 3.780 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(C)C2)c(C)o1 ZINC000309589733 178245324 /nfs/dbraw/zinc/24/53/24/178245324.db2.gz UKQPGNMZFDKEJA-JTQLQIEISA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)C2)c(C)o1 ZINC000309589734 178222593 /nfs/dbraw/zinc/22/25/93/178222593.db2.gz UKQPGNMZFDKEJA-SNVBAGLBSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccs1 ZINC000309590096 384157489 /nfs/dbraw/zinc/15/74/89/384157489.db2.gz UODAYNBWUUHANV-AVGNSLFASA-N 1 0 235.396 3.835 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309590491 491151865 /nfs/dbraw/zinc/15/18/65/491151865.db2.gz ZBHLFLLVPAECFP-NXEZZACHSA-N 1 0 245.338 3.895 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)C1CCCCC1 ZINC000309590583 229454442 /nfs/dbraw/zinc/45/44/42/229454442.db2.gz UQDVRAUWLGASMD-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)C1CCCCC1 ZINC000309590584 388458271 /nfs/dbraw/zinc/45/82/71/388458271.db2.gz UQDVRAUWLGASMD-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)C1CCCCC1 ZINC000309590585 533539128 /nfs/dbraw/zinc/53/91/28/533539128.db2.gz UQDVRAUWLGASMD-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)C1CCCCC1 ZINC000309590586 388458216 /nfs/dbraw/zinc/45/82/16/388458216.db2.gz UQDVRAUWLGASMD-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309590667 491151928 /nfs/dbraw/zinc/15/19/28/491151928.db2.gz ZBHLFLLVPAECFP-UWVGGRQHSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309590669 491151904 /nfs/dbraw/zinc/15/19/04/491151904.db2.gz ZBHLFLLVPAECFP-VHSXEESVSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309590671 491151132 /nfs/dbraw/zinc/15/11/32/491151132.db2.gz ZBHLFLLVPAECFP-ZJUUUORDSA-N 1 0 245.338 3.895 20 0 BHADRO C(C[NH2+][C@H]1CC[C@@H]1C1CC1)CC1CCCC1 ZINC000309590677 491151128 /nfs/dbraw/zinc/15/11/28/491151128.db2.gz ZBMZESXSUPXUOW-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@H]1CC[C@H]1C1CC1)CC1CCCC1 ZINC000309590679 491151129 /nfs/dbraw/zinc/15/11/29/491151129.db2.gz ZBMZESXSUPXUOW-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)CC1CCCC1 ZINC000309590680 491151177 /nfs/dbraw/zinc/15/11/77/491151177.db2.gz ZBMZESXSUPXUOW-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@@H]1CC[C@H]1C1CC1)CC1CCCC1 ZINC000309590682 491151180 /nfs/dbraw/zinc/15/11/80/491151180.db2.gz ZBMZESXSUPXUOW-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)Cc1cccs1 ZINC000309591109 491152727 /nfs/dbraw/zinc/15/27/27/491152727.db2.gz UUCXCEITYNLJNH-GFCCVEGCSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)Cc1cccs1 ZINC000309591115 491152771 /nfs/dbraw/zinc/15/27/71/491152771.db2.gz UUCXCEITYNLJNH-LBPRGKRZSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000309591499 388458326 /nfs/dbraw/zinc/45/83/26/388458326.db2.gz UWYHRMMSQNQQDK-BDAKNGLRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1Cl ZINC000309591501 388458267 /nfs/dbraw/zinc/45/82/67/388458267.db2.gz UWYHRMMSQNQQDK-DTWKUNHWSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000309591503 388458333 /nfs/dbraw/zinc/45/83/33/388458333.db2.gz UWYHRMMSQNQQDK-IUCAKERBSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000309591505 388458359 /nfs/dbraw/zinc/45/83/59/388458359.db2.gz UWYHRMMSQNQQDK-RKDXNWHRSA-N 1 0 247.716 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3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309592805 388458119 /nfs/dbraw/zinc/45/81/19/388458119.db2.gz VHLQTVHLUDGSAF-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000309592809 388458261 /nfs/dbraw/zinc/45/82/61/388458261.db2.gz VHLQTVHLUDGSAF-OUAUKWLOSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309592813 533521169 /nfs/dbraw/zinc/52/11/69/533521169.db2.gz VHLQTVHLUDGSAF-VWYCJHECSA-N 1 0 237.309 3.886 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000309593657 385723157 /nfs/dbraw/zinc/72/31/57/385723157.db2.gz TUXHZMSBLZCPLU-AAEUAGOBSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000309593658 385723346 /nfs/dbraw/zinc/72/33/46/385723346.db2.gz TUXHZMSBLZCPLU-DGCLKSJQSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000309593659 385721920 /nfs/dbraw/zinc/72/19/20/385721920.db2.gz TUXHZMSBLZCPLU-WCQYABFASA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000309593660 384587528 /nfs/dbraw/zinc/58/75/28/384587528.db2.gz TUXHZMSBLZCPLU-YPMHNXCESA-N 1 0 241.737 3.535 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1(C2CC2)CCC1 ZINC000309593995 385717724 /nfs/dbraw/zinc/71/77/24/385717724.db2.gz VRFFPCGYCFLMRU-GFCCVEGCSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1(C2CC2)CCC1 ZINC000309593997 385718435 /nfs/dbraw/zinc/71/84/35/385718435.db2.gz VRFFPCGYCFLMRU-LBPRGKRZSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000309594072 358880067 /nfs/dbraw/zinc/88/00/67/358880067.db2.gz VSJFNKOQZOSAMF-GFCCVEGCSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000309594075 358880126 /nfs/dbraw/zinc/88/01/26/358880126.db2.gz VSJFNKOQZOSAMF-LBPRGKRZSA-N 1 0 215.340 3.588 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309594093 388458137 /nfs/dbraw/zinc/45/81/37/388458137.db2.gz HVSOSQVSGRLALN-NEPJUHHUSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309594096 388458416 /nfs/dbraw/zinc/45/84/16/388458416.db2.gz HVSOSQVSGRLALN-NWDGAFQWSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309594098 388458274 /nfs/dbraw/zinc/45/82/74/388458274.db2.gz HVSOSQVSGRLALN-RYUDHWBXSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309594100 388458085 /nfs/dbraw/zinc/45/80/85/388458085.db2.gz HVSOSQVSGRLALN-VXGBXAGGSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC12CCCC2 ZINC000309594544 384158833 /nfs/dbraw/zinc/15/88/33/384158833.db2.gz HXSOIFDEYFOYEG-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCC12CCCC2 ZINC000309594545 322906213 /nfs/dbraw/zinc/90/62/13/322906213.db2.gz HXSOIFDEYFOYEG-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@]1(C[NH2+]C2CCC3(CC3)CC2)CCCS1 ZINC000309594562 177462184 /nfs/dbraw/zinc/46/21/84/177462184.db2.gz HYULYFMIYWTZPB-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@]1(C[NH2+]C2CCC3(CC3)CC2)CCCS1 ZINC000309594563 384596490 /nfs/dbraw/zinc/59/64/90/384596490.db2.gz HYULYFMIYWTZPB-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccsc1 ZINC000309594859 487994188 /nfs/dbraw/zinc/99/41/88/487994188.db2.gz VWWRAZIAGYKTER-BPNCWPANSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccsc1 ZINC000309594860 487994079 /nfs/dbraw/zinc/99/40/79/487994079.db2.gz VWWRAZIAGYKTER-GDLCADMTSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccsc1 ZINC000309594861 487993613 /nfs/dbraw/zinc/99/36/13/487993613.db2.gz VWWRAZIAGYKTER-LEWSCRJBSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccsc1 ZINC000309594862 487993705 /nfs/dbraw/zinc/99/37/05/487993705.db2.gz VWWRAZIAGYKTER-ZLKJLUDKSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC2CCCCC2)s1 ZINC000309594873 491152853 /nfs/dbraw/zinc/15/28/53/491152853.db2.gz VXFRGKAAIVJFAO-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC2CCCCC2)s1 ZINC000309594874 491152802 /nfs/dbraw/zinc/15/28/02/491152802.db2.gz VXFRGKAAIVJFAO-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309594939 358881520 /nfs/dbraw/zinc/88/15/20/358881520.db2.gz ICMUQJJPQLLKNY-CHWSQXEVSA-N 1 0 223.404 3.979 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309594940 358881873 /nfs/dbraw/zinc/88/18/73/358881873.db2.gz ICMUQJJPQLLKNY-OLZOCXBDSA-N 1 0 223.404 3.979 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309594941 358881864 /nfs/dbraw/zinc/88/18/64/358881864.db2.gz ICMUQJJPQLLKNY-QWHCGFSZSA-N 1 0 223.404 3.979 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309594942 358881870 /nfs/dbraw/zinc/88/18/70/358881870.db2.gz ICMUQJJPQLLKNY-STQMWFEESA-N 1 0 223.404 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)C1CCCCC1 ZINC000309595419 533335999 /nfs/dbraw/zinc/33/59/99/533335999.db2.gz WCHBDDMMMANNAH-GFCCVEGCSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)C1CCCCC1 ZINC000309595424 388458295 /nfs/dbraw/zinc/45/82/95/388458295.db2.gz WCHBDDMMMANNAH-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1scnc1C1CC1 ZINC000309595717 491152829 /nfs/dbraw/zinc/15/28/29/491152829.db2.gz IHDMBCVHAJITAS-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1(C)CC1 ZINC000309596466 385724612 /nfs/dbraw/zinc/72/46/12/385724612.db2.gz WIJWPKVVVCTAOS-KPPDAEKUSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1(C)CC1 ZINC000309596467 385724946 /nfs/dbraw/zinc/72/49/46/385724946.db2.gz WIJWPKVVVCTAOS-WHXUTIOJSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000309596480 388458318 /nfs/dbraw/zinc/45/83/18/388458318.db2.gz WISHAHJAANDKCA-GFCCVEGCSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000309596481 388458238 /nfs/dbraw/zinc/45/82/38/388458238.db2.gz WISHAHJAANDKCA-LBPRGKRZSA-N 1 0 217.356 3.834 20 0 BHADRO FC(F)(F)CC[NH2+]CCC1CCCCCC1 ZINC000309597053 534384033 /nfs/dbraw/zinc/38/40/33/534384033.db2.gz UXGSAOBEUGFWCU-UHFFFAOYSA-N 1 0 237.309 3.889 20 0 BHADRO Clc1ccc(C[NH2+]C2CCC3(CC3)CC2)o1 ZINC000309597089 385724484 /nfs/dbraw/zinc/72/44/84/385724484.db2.gz UYIUDTPERIWSGQ-UHFFFAOYSA-N 1 0 239.746 3.745 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1ccccc1F ZINC000309598081 388458808 /nfs/dbraw/zinc/45/88/08/388458808.db2.gz WTHRRABOFJBSFQ-UHFFFAOYSA-N 1 0 223.335 3.841 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC1(C(F)F)CC1 ZINC000309598371 388458160 /nfs/dbraw/zinc/45/81/60/388458160.db2.gz WWQBNWPDQIWALT-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC1(C(F)F)CC1 ZINC000309598373 388458250 /nfs/dbraw/zinc/45/82/50/388458250.db2.gz WWQBNWPDQIWALT-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C1C(C)(C)C1(C)C ZINC000309598413 187310082 /nfs/dbraw/zinc/31/00/82/187310082.db2.gz WXFPXCGXUMCTSM-MRVPVSSYSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C1C(C)(C)C1(C)C ZINC000309598415 385727569 /nfs/dbraw/zinc/72/75/69/385727569.db2.gz WXFPXCGXUMCTSM-QMMMGPOBSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000309598605 528691747 /nfs/dbraw/zinc/69/17/47/528691747.db2.gz JITLHHWAXWPQBA-BFHYXJOUSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000309598606 388459004 /nfs/dbraw/zinc/45/90/04/388459004.db2.gz JITLHHWAXWPQBA-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000309598607 388458922 /nfs/dbraw/zinc/45/89/22/388458922.db2.gz JITLHHWAXWPQBA-MELADBBJSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000309598608 384160252 /nfs/dbraw/zinc/16/02/52/384160252.db2.gz JITLHHWAXWPQBA-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309598702 384157691 /nfs/dbraw/zinc/15/76/91/384157691.db2.gz XBHISGYCTUMNDX-GFCCVEGCSA-N 1 0 221.319 3.751 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309598703 384157656 /nfs/dbraw/zinc/15/76/56/384157656.db2.gz XBHISGYCTUMNDX-LBPRGKRZSA-N 1 0 221.319 3.751 20 0 BHADRO Fc1ccc(C[NH2+]C2(C3CC3)CC2)cc1Cl ZINC000309598757 387831563 /nfs/dbraw/zinc/83/15/63/387831563.db2.gz VRKAEISAXGPIEW-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]CC[C@H](C)F)C1CCCCC1 ZINC000309599052 388458803 /nfs/dbraw/zinc/45/88/03/388458803.db2.gz XCBVFNKKYVBGAF-AVGNSLFASA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@H](C)C1CCCCC1 ZINC000309599053 384157685 /nfs/dbraw/zinc/15/76/85/384157685.db2.gz XCBVFNKKYVBGAF-RWMBFGLXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000309599054 229587065 /nfs/dbraw/zinc/58/70/65/229587065.db2.gz XCBVFNKKYVBGAF-XQQFMLRXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](C)C1CCCCC1 ZINC000309599055 229587355 /nfs/dbraw/zinc/58/73/55/229587355.db2.gz XCBVFNKKYVBGAF-YNEHKIRRSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000309599094 323429804 /nfs/dbraw/zinc/42/98/04/323429804.db2.gz XDDNQUFFQUBYMP-CYBMUJFWSA-N 1 0 227.392 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCOC(C)(C)C ZINC000309599095 387831593 /nfs/dbraw/zinc/83/15/93/387831593.db2.gz XDDNQUFFQUBYMP-ZDUSSCGKSA-N 1 0 227.392 3.526 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000309599713 388459173 /nfs/dbraw/zinc/45/91/73/388459173.db2.gz XJFYGBKQVULFEP-LLVKDONJSA-N 1 0 235.396 3.854 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000309599714 527444976 /nfs/dbraw/zinc/44/49/76/527444976.db2.gz XJFYGBKQVULFEP-NSHDSACASA-N 1 0 235.396 3.854 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC000309600195 323429799 /nfs/dbraw/zinc/42/97/99/323429799.db2.gz XMRXXYUIYLXGCG-GFCCVEGCSA-N 1 0 217.356 3.773 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC000309600196 387832047 /nfs/dbraw/zinc/83/20/47/387832047.db2.gz XMRXXYUIYLXGCG-LBPRGKRZSA-N 1 0 217.356 3.773 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)cc1 ZINC000309601532 388458742 /nfs/dbraw/zinc/45/87/42/388458742.db2.gz XSHVLRRGJXZPLO-AAEUAGOBSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000309601533 388459151 /nfs/dbraw/zinc/45/91/51/388459151.db2.gz XSHVLRRGJXZPLO-DGCLKSJQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000309601534 388459107 /nfs/dbraw/zinc/45/91/07/388459107.db2.gz XSHVLRRGJXZPLO-WCQYABFASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)cc1 ZINC000309601535 388458981 /nfs/dbraw/zinc/45/89/81/388458981.db2.gz XSHVLRRGJXZPLO-YPMHNXCESA-N 1 0 235.396 3.540 20 0 BHADRO FCCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000309601944 342732228 /nfs/dbraw/zinc/73/22/28/342732228.db2.gz WXJHBNBHXPZTNK-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO FCCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000309601945 342732106 /nfs/dbraw/zinc/73/21/06/342732106.db2.gz WXJHBNBHXPZTNK-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO CC(C)c1csc(C[NH2+][C@@H]2CCC2(C)C)n1 ZINC000309602403 167654205 /nfs/dbraw/zinc/65/42/05/167654205.db2.gz XXIUPBADLBLOPX-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1csc(C[NH2+][C@H]2CCC2(C)C)n1 ZINC000309602404 385737183 /nfs/dbraw/zinc/73/71/83/385737183.db2.gz XXIUPBADLBLOPX-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000309602963 388458929 /nfs/dbraw/zinc/45/89/29/388458929.db2.gz YADSPTNUBIETOP-GXTWGEPZSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000309602964 229456287 /nfs/dbraw/zinc/45/62/87/229456287.db2.gz YADSPTNUBIETOP-JSGCOSHPSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000309602965 388458937 /nfs/dbraw/zinc/45/89/37/388458937.db2.gz YADSPTNUBIETOP-OCCSQVGLSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000309602966 388459007 /nfs/dbraw/zinc/45/90/07/388459007.db2.gz YADSPTNUBIETOP-TZMCWYRMSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309602992 633969494 /nfs/dbraw/zinc/96/94/94/633969494.db2.gz YAUCFDKWLYVQQW-WXHSDQCUSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309603379 491058036 /nfs/dbraw/zinc/05/80/36/491058036.db2.gz KQNPCTAGDCWKKC-GRYCIOLGSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309603381 491152159 /nfs/dbraw/zinc/15/21/59/491152159.db2.gz KQNPCTAGDCWKKC-SDDRHHMPSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309603383 491152186 /nfs/dbraw/zinc/15/21/86/491152186.db2.gz KQNPCTAGDCWKKC-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309603386 491057993 /nfs/dbraw/zinc/05/79/93/491057993.db2.gz KQNPCTAGDCWKKC-WOPDTQHZSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000309603426 388458886 /nfs/dbraw/zinc/45/88/86/388458886.db2.gz KRPHGCLIZVEWHR-BFHYXJOUSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000309603427 388458833 /nfs/dbraw/zinc/45/88/33/388458833.db2.gz KRPHGCLIZVEWHR-MCIONIFRSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000309603903 491152248 /nfs/dbraw/zinc/15/22/48/491152248.db2.gz YHGMQMZVWYIMRN-KGYLQXTDSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000309603904 491152244 /nfs/dbraw/zinc/15/22/44/491152244.db2.gz YHGMQMZVWYIMRN-RAIGVLPGSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000309603906 491152247 /nfs/dbraw/zinc/15/22/47/491152247.db2.gz YHGMQMZVWYIMRN-RTXFEEFZSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000309603907 491152245 /nfs/dbraw/zinc/15/22/45/491152245.db2.gz YHGMQMZVWYIMRN-WXHSDQCUSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)C(C)(C)C ZINC000309604590 384168156 /nfs/dbraw/zinc/16/81/56/384168156.db2.gz YIOOKEZRBNZSFY-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)C(C)(C)C ZINC000309604593 384168701 /nfs/dbraw/zinc/16/87/01/384168701.db2.gz YIOOKEZRBNZSFY-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000309604852 384168375 /nfs/dbraw/zinc/16/83/75/384168375.db2.gz KZKSWINOEJMTGK-UHFFFAOYSA-N 1 0 221.319 3.617 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309605254 326161780 /nfs/dbraw/zinc/16/17/80/326161780.db2.gz YNAXTONDLALKHE-GFCCVEGCSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309605255 326161803 /nfs/dbraw/zinc/16/18/03/326161803.db2.gz YNAXTONDLALKHE-LBPRGKRZSA-N 1 0 215.340 3.588 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000309605355 527615939 /nfs/dbraw/zinc/61/59/39/527615939.db2.gz LBCKNZVLIBROAX-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000309605356 388458812 /nfs/dbraw/zinc/45/88/12/388458812.db2.gz LBCKNZVLIBROAX-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000309605370 491120479 /nfs/dbraw/zinc/12/04/79/491120479.db2.gz LBRDTNNDFYWQOA-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000309605371 491120467 /nfs/dbraw/zinc/12/04/67/491120467.db2.gz LBRDTNNDFYWQOA-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000309605372 491120478 /nfs/dbraw/zinc/12/04/78/491120478.db2.gz LBRDTNNDFYWQOA-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000309605373 490359966 /nfs/dbraw/zinc/35/99/66/490359966.db2.gz LBRDTNNDFYWQOA-WRWGMCAJSA-N 1 0 231.330 3.589 20 0 BHADRO FC(F)C1([NH2+]CC2CCCC2)CCCCC1 ZINC000309605678 388459093 /nfs/dbraw/zinc/45/90/93/388459093.db2.gz XUGIEFMFGWJFRC-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccc(F)c1 ZINC000309605744 491152226 /nfs/dbraw/zinc/15/22/26/491152226.db2.gz YPGPZWYLJWIYGA-JTQLQIEISA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc(F)c1 ZINC000309605747 491152268 /nfs/dbraw/zinc/15/22/68/491152268.db2.gz YPGPZWYLJWIYGA-SNVBAGLBSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309606459 384167568 /nfs/dbraw/zinc/16/75/68/384167568.db2.gz YUERKMPRAMJUKD-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309606460 529315988 /nfs/dbraw/zinc/31/59/88/529315988.db2.gz YUERKMPRAMJUKD-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309606461 384167703 /nfs/dbraw/zinc/16/77/03/384167703.db2.gz YUERKMPRAMJUKD-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309606462 384167400 /nfs/dbraw/zinc/16/74/00/384167400.db2.gz YUERKMPRAMJUKD-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1CCCC1 ZINC000309606646 528428523 /nfs/dbraw/zinc/42/85/23/528428523.db2.gz LKOVQSMURHILNK-LLVKDONJSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1CCCC1 ZINC000309606647 384167473 /nfs/dbraw/zinc/16/74/73/384167473.db2.gz LKOVQSMURHILNK-NSHDSACASA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CCC[NH2+]C1(c2ccccc2)CC1 ZINC000309607050 384168746 /nfs/dbraw/zinc/16/87/46/384168746.db2.gz LOMRNBGOXWAELX-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2(C)CC2)c1C ZINC000309607670 384168179 /nfs/dbraw/zinc/16/81/79/384168179.db2.gz ZBJATAVHAXCLKI-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2(C)CC2)c1C ZINC000309607671 384167645 /nfs/dbraw/zinc/16/76/45/384167645.db2.gz ZBJATAVHAXCLKI-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CCCCCC2)CC1 ZINC000309607933 384168389 /nfs/dbraw/zinc/16/83/89/384168389.db2.gz YMDUQOMTEORZIS-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+]C1(C2CC2)CC1 ZINC000309607961 323430694 /nfs/dbraw/zinc/43/06/94/323430694.db2.gz YNEQYDKWYVONRT-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1SC ZINC000309608164 384168443 /nfs/dbraw/zinc/16/84/43/384168443.db2.gz ZDUISGSVNLLJFI-NEPJUHHUSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1SC ZINC000309608166 384168172 /nfs/dbraw/zinc/16/81/72/384168172.db2.gz ZDUISGSVNLLJFI-NWDGAFQWSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1SC ZINC000309608168 384168595 /nfs/dbraw/zinc/16/85/95/384168595.db2.gz ZDUISGSVNLLJFI-RYUDHWBXSA-N 1 0 237.412 3.933 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1SC ZINC000309608170 384167991 /nfs/dbraw/zinc/16/79/91/384167991.db2.gz ZDUISGSVNLLJFI-VXGBXAGGSA-N 1 0 237.412 3.933 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000309608694 180579574 /nfs/dbraw/zinc/57/95/74/180579574.db2.gz YSBWIXWVOZSCCC-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000309608695 385739877 /nfs/dbraw/zinc/73/98/77/385739877.db2.gz YSBWIXWVOZSCCC-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1C ZINC000309608898 384167562 /nfs/dbraw/zinc/16/75/62/384167562.db2.gz ZKLRRSFKBLYETR-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1C ZINC000309608899 384168805 /nfs/dbraw/zinc/16/88/05/384168805.db2.gz ZKLRRSFKBLYETR-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1C ZINC000309608900 384167609 /nfs/dbraw/zinc/16/76/09/384167609.db2.gz ZKLRRSFKBLYETR-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1C ZINC000309608901 384168250 /nfs/dbraw/zinc/16/82/50/384168250.db2.gz ZKLRRSFKBLYETR-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000309609005 633971514 /nfs/dbraw/zinc/97/15/14/633971514.db2.gz MEDQVOWSPHWQTK-HNNXBMFYSA-N 1 0 215.340 3.538 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000309609006 633970949 /nfs/dbraw/zinc/97/09/49/633970949.db2.gz MEDQVOWSPHWQTK-OAHLLOKOSA-N 1 0 215.340 3.538 20 0 BHADRO C[C@H]([NH2+]C1(C)CCC1)C1CCC(F)(F)CC1 ZINC000309609332 385739373 /nfs/dbraw/zinc/73/93/73/385739373.db2.gz ZNCMFINSGSDNOU-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)C1CCC(F)(F)CC1 ZINC000309609334 385739067 /nfs/dbraw/zinc/73/90/67/385739067.db2.gz ZNCMFINSGSDNOU-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccsc1 ZINC000309609378 385740287 /nfs/dbraw/zinc/74/02/87/385740287.db2.gz ZNVBVNFBFBXBTN-DCBWTQNWSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccsc1 ZINC000309609380 385739927 /nfs/dbraw/zinc/73/99/27/385739927.db2.gz ZNVBVNFBFBXBTN-LKSINWNRSA-N 1 0 235.396 3.979 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309609491 384168471 /nfs/dbraw/zinc/16/84/71/384168471.db2.gz MFNSSYHMAMDKNK-BFHYXJOUSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309609492 384167244 /nfs/dbraw/zinc/16/72/44/384167244.db2.gz MFNSSYHMAMDKNK-MCIONIFRSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H](C)F ZINC000309609826 384168497 /nfs/dbraw/zinc/16/84/97/384168497.db2.gz ZQNHCJPBRKGKTM-AVGNSLFASA-N 1 0 223.335 3.516 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@H](C)c1ccccc1 ZINC000309609827 384167362 /nfs/dbraw/zinc/16/73/62/384167362.db2.gz ZQNHCJPBRKGKTM-RWMBFGLXSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000309609828 384168298 /nfs/dbraw/zinc/16/82/98/384168298.db2.gz ZQNHCJPBRKGKTM-XQQFMLRXSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H](C)c1ccccc1 ZINC000309609829 229588558 /nfs/dbraw/zinc/58/85/58/229588558.db2.gz ZQNHCJPBRKGKTM-YNEHKIRRSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccco1 ZINC000309609834 385739204 /nfs/dbraw/zinc/73/92/04/385739204.db2.gz ZQSLFTJSGRBVHD-LLVKDONJSA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccco1 ZINC000309609835 385739679 /nfs/dbraw/zinc/73/96/79/385739679.db2.gz ZQSLFTJSGRBVHD-NSHDSACASA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1ccsc1 ZINC000309610286 491152407 /nfs/dbraw/zinc/15/24/07/491152407.db2.gz ZUKLFOVKUMSGII-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccsc1 ZINC000309610287 491152349 /nfs/dbraw/zinc/15/23/49/491152349.db2.gz ZUKLFOVKUMSGII-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccsc1 ZINC000309610288 491152348 /nfs/dbraw/zinc/15/23/48/491152348.db2.gz ZUKLFOVKUMSGII-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1ccsc1 ZINC000309610290 491152384 /nfs/dbraw/zinc/15/23/84/491152384.db2.gz ZUKLFOVKUMSGII-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000309611735 491152484 /nfs/dbraw/zinc/15/24/84/491152484.db2.gz AHZBAJILTQXHIT-CRWXNKLISA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCS[C@H]1C ZINC000309611736 491152444 /nfs/dbraw/zinc/15/24/44/491152444.db2.gz AHZBAJILTQXHIT-DGAVXFQQSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000309611737 491152503 /nfs/dbraw/zinc/15/25/03/491152503.db2.gz AHZBAJILTQXHIT-MQYQWHSLSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000309611738 491152500 /nfs/dbraw/zinc/15/25/00/491152500.db2.gz AHZBAJILTQXHIT-SYQHCUMBSA-N 1 0 241.444 3.829 20 0 BHADRO Fc1ccc([C@H]([NH2+]C/C=C\Cl)C2CC2)cc1 ZINC000309611874 632581806 /nfs/dbraw/zinc/58/18/06/632581806.db2.gz ZPISILMTWABDCF-GVPMDHLDSA-N 1 0 239.721 3.619 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C/C=C\Cl)C2CC2)cc1 ZINC000309611876 632583572 /nfs/dbraw/zinc/58/35/72/632583572.db2.gz ZPISILMTWABDCF-QJEKGUCUSA-N 1 0 239.721 3.619 20 0 BHADRO Fc1ccc(C[NH2+]C2(C3CC3)CC2)c(Cl)c1 ZINC000309611932 323432799 /nfs/dbraw/zinc/43/27/99/323432799.db2.gz ZRHMZSOZWMTBCF-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000309612265 633974556 /nfs/dbraw/zinc/97/45/56/633974556.db2.gz ANUFCHYSUKIZRV-CQSZACIVSA-N 1 0 241.444 3.998 20 0 BHADRO FCCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000309612545 633974420 /nfs/dbraw/zinc/97/44/20/633974420.db2.gz ZXHDJRZVIMOOCZ-UHFFFAOYSA-N 1 0 227.367 3.685 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2c1cccc2C ZINC000309613059 388459168 /nfs/dbraw/zinc/45/91/68/388459168.db2.gz NBBUHPQHYUMIQP-HNNXBMFYSA-N 1 0 215.340 3.538 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2c1cccc2C ZINC000309613060 388458932 /nfs/dbraw/zinc/45/89/32/388458932.db2.gz NBBUHPQHYUMIQP-OAHLLOKOSA-N 1 0 215.340 3.538 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309613217 385742718 /nfs/dbraw/zinc/74/27/18/385742718.db2.gz ATNLTMUDVLNVIA-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309613218 385742522 /nfs/dbraw/zinc/74/25/22/385742522.db2.gz ATNLTMUDVLNVIA-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309613219 385741510 /nfs/dbraw/zinc/74/15/10/385741510.db2.gz ATNLTMUDVLNVIA-XQQFMLRXSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309613220 175549496 /nfs/dbraw/zinc/54/94/96/175549496.db2.gz ATNLTMUDVLNVIA-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309613268 385741628 /nfs/dbraw/zinc/74/16/28/385741628.db2.gz AWJXZXNIHULJIU-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309613269 533554199 /nfs/dbraw/zinc/55/41/99/533554199.db2.gz AWJXZXNIHULJIU-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309613270 388459130 /nfs/dbraw/zinc/45/91/30/388459130.db2.gz AWJXZXNIHULJIU-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309613271 388459037 /nfs/dbraw/zinc/45/90/37/388459037.db2.gz AWJXZXNIHULJIU-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H]1C ZINC000309613527 491152486 /nfs/dbraw/zinc/15/24/86/491152486.db2.gz NEUJJGMNGHIOSR-KKOKHZNYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@H]1C ZINC000309613528 491152488 /nfs/dbraw/zinc/15/24/88/491152488.db2.gz NEUJJGMNGHIOSR-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@H]1C ZINC000309613530 491152441 /nfs/dbraw/zinc/15/24/41/491152441.db2.gz NEUJJGMNGHIOSR-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H]1C ZINC000309613531 491058114 /nfs/dbraw/zinc/05/81/14/491058114.db2.gz NEUJJGMNGHIOSR-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)c1ccon1 ZINC000309613857 384167406 /nfs/dbraw/zinc/16/74/06/384167406.db2.gz BBFGFYOESCBBCI-QJPTWQEYSA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1ccon1 ZINC000309613858 384167589 /nfs/dbraw/zinc/16/75/89/384167589.db2.gz BBFGFYOESCBBCI-SDDRHHMPSA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1ccon1 ZINC000309613859 528076812 /nfs/dbraw/zinc/07/68/12/528076812.db2.gz BBFGFYOESCBBCI-SRVKXCTJSA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)c1ccon1 ZINC000309613860 384168116 /nfs/dbraw/zinc/16/81/16/384168116.db2.gz BBFGFYOESCBBCI-TUAOUCFPSA-N 1 0 224.348 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1nc(C)cs1 ZINC000309613861 385741862 /nfs/dbraw/zinc/74/18/62/385741862.db2.gz BBPDOPCLRTZZQV-GRYCIOLGSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1nc(C)cs1 ZINC000309613862 535940231 /nfs/dbraw/zinc/94/02/31/535940231.db2.gz BBPDOPCLRTZZQV-SDDRHHMPSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1nc(C)cs1 ZINC000309613863 385742691 /nfs/dbraw/zinc/74/26/91/385742691.db2.gz BBPDOPCLRTZZQV-SRVKXCTJSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1nc(C)cs1 ZINC000309613864 171549418 /nfs/dbraw/zinc/54/94/18/171549418.db2.gz BBPDOPCLRTZZQV-WOPDTQHZSA-N 1 0 238.400 3.681 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309614143 384167309 /nfs/dbraw/zinc/16/73/09/384167309.db2.gz NHZVGCKOHWOLGO-AXFHLTTASA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1C ZINC000309614145 528981019 /nfs/dbraw/zinc/98/10/19/528981019.db2.gz NHZVGCKOHWOLGO-DCAQKATOSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1C ZINC000309614146 384167579 /nfs/dbraw/zinc/16/75/79/384167579.db2.gz NHZVGCKOHWOLGO-MXWKQRLJSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H]1C ZINC000309614148 384168462 /nfs/dbraw/zinc/16/84/62/384168462.db2.gz NHZVGCKOHWOLGO-VWYCJHECSA-N 1 0 237.309 3.742 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309614536 528804620 /nfs/dbraw/zinc/80/46/20/528804620.db2.gz BFSVIRZPXHHISZ-JTQLQIEISA-N 1 0 233.346 3.979 20 0 BHADRO CCC(CC)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309614537 384168693 /nfs/dbraw/zinc/16/86/93/384168693.db2.gz BFSVIRZPXHHISZ-SNVBAGLBSA-N 1 0 233.346 3.979 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309614742 491058171 /nfs/dbraw/zinc/05/81/71/491058171.db2.gz NMYOGTPBRIIJCX-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309614743 491152534 /nfs/dbraw/zinc/15/25/34/491152534.db2.gz NMYOGTPBRIIJCX-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309614744 491152563 /nfs/dbraw/zinc/15/25/63/491152563.db2.gz NMYOGTPBRIIJCX-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309614745 491152553 /nfs/dbraw/zinc/15/25/53/491152553.db2.gz NMYOGTPBRIIJCX-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCCCF)c1 ZINC000309614889 384167901 /nfs/dbraw/zinc/16/79/01/384167901.db2.gz BJFWNGGPXIGBSZ-UHFFFAOYSA-N 1 0 223.335 3.569 20 0 BHADRO CSCCCCC[NH2+]Cc1cc(C)oc1C ZINC000309614894 633970916 /nfs/dbraw/zinc/97/09/16/633970916.db2.gz BJGIXNGCILQMCC-UHFFFAOYSA-N 1 0 241.400 3.519 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)CCCC(C)C ZINC000309615147 384167293 /nfs/dbraw/zinc/16/72/93/384167293.db2.gz CNMAREOGUIZEBJ-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)CCCC(C)C ZINC000309615148 384167631 /nfs/dbraw/zinc/16/76/31/384167631.db2.gz CNMAREOGUIZEBJ-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000309615318 384168206 /nfs/dbraw/zinc/16/82/06/384168206.db2.gz BLVOJHCECJWREX-CRWXNKLISA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000309615319 529340150 /nfs/dbraw/zinc/34/01/50/529340150.db2.gz BLVOJHCECJWREX-DGAVXFQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000309615321 384167444 /nfs/dbraw/zinc/16/74/44/384167444.db2.gz BLVOJHCECJWREX-REWJHTLYSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000309615323 384168431 /nfs/dbraw/zinc/16/84/31/384168431.db2.gz BLVOJHCECJWREX-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C(C[NH2+][C@@H]1CCC(F)(F)C1)C(C)C ZINC000309616057 491152548 /nfs/dbraw/zinc/15/25/48/491152548.db2.gz NWPLETANHHVDCY-LLVKDONJSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)C(C[NH2+][C@H]1CCC(F)(F)C1)C(C)C ZINC000309616061 491058168 /nfs/dbraw/zinc/05/81/68/491058168.db2.gz NWPLETANHHVDCY-NSHDSACASA-N 1 0 233.346 3.692 20 0 BHADRO CCCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC000309616676 342754530 /nfs/dbraw/zinc/75/45/30/342754530.db2.gz CZZNQBIUOOPCAC-UHFFFAOYSA-N 1 0 217.356 3.529 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1CCC(C)CC1 ZINC000309618399 529316628 /nfs/dbraw/zinc/31/66/28/529316628.db2.gz CKWCNYYRYHBZSD-HSOILSAZSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCC(C)CC1 ZINC000309618401 384168491 /nfs/dbraw/zinc/16/84/91/384168491.db2.gz CKWCNYYRYHBZSD-YVNMAJEFSA-N 1 0 237.309 3.886 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCOC1CCC1 ZINC000309618460 633975785 /nfs/dbraw/zinc/97/57/85/633975785.db2.gz CMXWIYLHXNFARW-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCOC1CCC1 ZINC000309618461 633212756 /nfs/dbraw/zinc/21/27/56/633212756.db2.gz CMXWIYLHXNFARW-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000309618840 384168836 /nfs/dbraw/zinc/16/88/36/384168836.db2.gz COJOREXJOKDSNQ-RVMXOQNASA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000309618841 384167380 /nfs/dbraw/zinc/16/73/80/384167380.db2.gz COJOREXJOKDSNQ-WUHRBBMRSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000309618842 384167278 /nfs/dbraw/zinc/16/72/78/384167278.db2.gz COJOREXJOKDSNQ-XQHKEYJVSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000309618843 384167624 /nfs/dbraw/zinc/16/76/24/384167624.db2.gz COJOREXJOKDSNQ-YVECIDJPSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1C=CCCC1 ZINC000309619233 388459147 /nfs/dbraw/zinc/45/91/47/388459147.db2.gz OPCMTDSNVGBHBC-GHMZBOCLSA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C=CCCC1 ZINC000309619234 388458892 /nfs/dbraw/zinc/45/88/92/388458892.db2.gz OPCMTDSNVGBHBC-MNOVXSKESA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C=CCCC1 ZINC000309619235 388458810 /nfs/dbraw/zinc/45/88/10/388458810.db2.gz OPCMTDSNVGBHBC-QWRGUYRKSA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1C=CCCC1 ZINC000309619236 388459121 /nfs/dbraw/zinc/45/91/21/388459121.db2.gz OPCMTDSNVGBHBC-WDEREUQCSA-N 1 0 235.293 3.662 20 0 BHADRO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000309619288 388459132 /nfs/dbraw/zinc/45/91/32/388459132.db2.gz ORKXYZXKDWIVDC-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000309619289 388458906 /nfs/dbraw/zinc/45/89/06/388458906.db2.gz ORKXYZXKDWIVDC-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000309619290 388459171 /nfs/dbraw/zinc/45/91/71/388459171.db2.gz ORKXYZXKDWIVDC-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000309619291 388459047 /nfs/dbraw/zinc/45/90/47/388459047.db2.gz ORKXYZXKDWIVDC-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccoc1)C1CCC1 ZINC000309619431 632585255 /nfs/dbraw/zinc/58/52/55/632585255.db2.gz CUKQCQCJOLDACS-AWEZNQCLSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccoc1)C1CCC1 ZINC000309619433 633212765 /nfs/dbraw/zinc/21/27/65/633212765.db2.gz CUKQCQCJOLDACS-CQSZACIVSA-N 1 0 221.344 3.728 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCC2)oc1C ZINC000309619491 487995361 /nfs/dbraw/zinc/99/53/61/487995361.db2.gz CVMHPLQHVDMMMU-QWRGUYRKSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCC2)oc1C ZINC000309619493 487995596 /nfs/dbraw/zinc/99/55/96/487995596.db2.gz CVMHPLQHVDMMMU-WDEREUQCSA-N 1 0 221.344 3.736 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+]CC1CCC1 ZINC000309619682 385751748 /nfs/dbraw/zinc/75/17/48/385751748.db2.gz GORRJBRPYQZONB-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000309619994 171045363 /nfs/dbraw/zinc/04/53/63/171045363.db2.gz CYIXCGJJMLXLRV-KGYLQXTDSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000309619995 171060828 /nfs/dbraw/zinc/06/08/28/171060828.db2.gz CYIXCGJJMLXLRV-RAIGVLPGSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000309619996 171060604 /nfs/dbraw/zinc/06/06/04/171060604.db2.gz CYIXCGJJMLXLRV-RTXFEEFZSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000309619997 171045339 /nfs/dbraw/zinc/04/53/39/171045339.db2.gz CYIXCGJJMLXLRV-WXHSDQCUSA-N 1 0 235.396 3.904 20 0 BHADRO CC(C)CCC[NH2+]C1(C)CCC(F)(F)CC1 ZINC000309620561 491152649 /nfs/dbraw/zinc/15/26/49/491152649.db2.gz OXSUWHZHTONRNH-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000309620880 384164749 /nfs/dbraw/zinc/16/47/49/384164749.db2.gz DFKOYAKIFRVZPX-KGYLQXTDSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000309620882 384165780 /nfs/dbraw/zinc/16/57/80/384165780.db2.gz DFKOYAKIFRVZPX-RAIGVLPGSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000309620884 384164853 /nfs/dbraw/zinc/16/48/53/384164853.db2.gz DFKOYAKIFRVZPX-RTXFEEFZSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000309620886 384164842 /nfs/dbraw/zinc/16/48/42/384164842.db2.gz DFKOYAKIFRVZPX-WXHSDQCUSA-N 1 0 233.380 3.612 20 0 BHADRO Cc1ccc(C[NH2+]CCC2(C)CC2)cc1C ZINC000309621045 178605147 /nfs/dbraw/zinc/60/51/47/178605147.db2.gz DJICCMOCLAMAEC-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1ccsc1C[NH2+]C1CCC(F)(F)CC1 ZINC000309622953 385749368 /nfs/dbraw/zinc/74/93/68/385749368.db2.gz DYCOUZNFBOKNRS-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000309623041 384182908 /nfs/dbraw/zinc/18/29/08/384182908.db2.gz FBINGJFHLCSHMR-BPCQOVAHSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000309623042 229590589 /nfs/dbraw/zinc/59/05/89/229590589.db2.gz FBINGJFHLCSHMR-WXRRBKDZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+]C1CCC2(CC2)CC1 ZINC000309623607 385750244 /nfs/dbraw/zinc/75/02/44/385750244.db2.gz FFALGJGDADDJTG-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@@H]1C ZINC000309625883 388459940 /nfs/dbraw/zinc/45/99/40/388459940.db2.gz QBTYTQYDQJNWQL-FQUUOJAGSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@H]1C ZINC000309625884 388460024 /nfs/dbraw/zinc/46/00/24/388460024.db2.gz QBTYTQYDQJNWQL-RFGFWPKPSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@H]1C ZINC000309625885 388459456 /nfs/dbraw/zinc/45/94/56/388459456.db2.gz QBTYTQYDQJNWQL-RQJABVFESA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@@H]1C ZINC000309625886 528708151 /nfs/dbraw/zinc/70/81/51/528708151.db2.gz QBTYTQYDQJNWQL-XUXIUFHCSA-N 1 0 241.444 3.542 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000309626009 528962164 /nfs/dbraw/zinc/96/21/64/528962164.db2.gz FUQIFJROVVXLRS-HNNXBMFYSA-N 1 0 217.356 3.540 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]C1CCC1 ZINC000309626011 528161060 /nfs/dbraw/zinc/16/10/60/528161060.db2.gz FUQIFJROVVXLRS-OAHLLOKOSA-N 1 0 217.356 3.540 20 0 BHADRO CCOC(C)(C)C[NH2+]CC(CC)(CC)CC ZINC000309627475 528429633 /nfs/dbraw/zinc/42/96/33/528429633.db2.gz GSKAQWCVHZUCNH-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000309627555 532968404 /nfs/dbraw/zinc/96/84/04/532968404.db2.gz GUJKVMUDIKYOCF-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000309627557 384182074 /nfs/dbraw/zinc/18/20/74/384182074.db2.gz GUJKVMUDIKYOCF-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCSCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000309627597 384182791 /nfs/dbraw/zinc/18/27/91/384182791.db2.gz GVEDGKIIOXUXGY-UHFFFAOYSA-N 1 0 237.412 3.653 20 0 BHADRO Clc1cccc(C2([NH2+]CCC3CC3)CC2)c1 ZINC000309628122 384184375 /nfs/dbraw/zinc/18/43/75/384184375.db2.gz JPSHIRDVHRXKNA-UHFFFAOYSA-N 1 0 235.758 3.719 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309628131 342759820 /nfs/dbraw/zinc/75/98/20/342759820.db2.gz QQUWEEFBSVTVJM-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309628134 342759894 /nfs/dbraw/zinc/75/98/94/342759894.db2.gz QQUWEEFBSVTVJM-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO CCC(CC)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000309628742 384185816 /nfs/dbraw/zinc/18/58/16/384185816.db2.gz GKRVFAFWULCHBW-UHFFFAOYSA-N 1 0 247.716 3.896 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000309632299 388459892 /nfs/dbraw/zinc/45/98/92/388459892.db2.gz RLMCAYLRAGQMLE-GXSJLCMTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CCC1 ZINC000309632301 528980813 /nfs/dbraw/zinc/98/08/13/528980813.db2.gz RLMCAYLRAGQMLE-KOLCDFICSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1CCC1 ZINC000309632302 388459387 /nfs/dbraw/zinc/45/93/87/388459387.db2.gz RLMCAYLRAGQMLE-MWLCHTKSSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000309632304 388459735 /nfs/dbraw/zinc/45/97/35/388459735.db2.gz RLMCAYLRAGQMLE-ONGXEEELSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000309632832 388459998 /nfs/dbraw/zinc/45/99/98/388459998.db2.gz RNWMJZLRHLORHB-MQMHXKEQSA-N 1 0 237.774 3.832 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)CS1 ZINC000309632867 633977674 /nfs/dbraw/zinc/97/76/74/633977674.db2.gz RONFEBIMALUTCB-AGIUHOORSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)C(C)(C)C)CS1 ZINC000309632869 632593812 /nfs/dbraw/zinc/59/38/12/632593812.db2.gz RONFEBIMALUTCB-AVGNSLFASA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)CS1 ZINC000309632872 633978426 /nfs/dbraw/zinc/97/84/26/633978426.db2.gz RONFEBIMALUTCB-UPJWGTAASA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)CS1 ZINC000309632873 633977506 /nfs/dbraw/zinc/97/75/06/633977506.db2.gz RONFEBIMALUTCB-XQQFMLRXSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1cscn1 ZINC000309633429 528463712 /nfs/dbraw/zinc/46/37/12/528463712.db2.gz RSMMQVDXRXNECN-NWDGAFQWSA-N 1 0 240.416 3.694 20 0 BHADRO CCOCCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000309633935 388460017 /nfs/dbraw/zinc/46/00/17/388460017.db2.gz ISTHDKWQXNPZNJ-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000309633936 388459845 /nfs/dbraw/zinc/45/98/45/388459845.db2.gz ISTHDKWQXNPZNJ-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+]CCCCF ZINC000309634405 384184733 /nfs/dbraw/zinc/18/47/33/384184733.db2.gz IYVZUVAGSPNKSN-UHFFFAOYSA-N 1 0 243.753 3.742 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)C[C@@H]1C ZINC000309634997 491153304 /nfs/dbraw/zinc/15/33/04/491153304.db2.gz SFWNJHCNKMKGGE-CFVMTHIKSA-N 1 0 221.388 3.755 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CC=CC2)C[C@@H]1C ZINC000309634998 491153293 /nfs/dbraw/zinc/15/32/93/491153293.db2.gz SFWNJHCNKMKGGE-QEJZJMRPSA-N 1 0 221.388 3.755 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CC=CC2)C[C@H]1C ZINC000309635000 491153295 /nfs/dbraw/zinc/15/32/95/491153295.db2.gz SFWNJHCNKMKGGE-SNPRPXQTSA-N 1 0 221.388 3.755 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)C[C@H]1C ZINC000309635001 491153310 /nfs/dbraw/zinc/15/33/10/491153310.db2.gz SFWNJHCNKMKGGE-YUELXQCFSA-N 1 0 221.388 3.755 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)C)CS1 ZINC000309636420 384184244 /nfs/dbraw/zinc/18/42/44/384184244.db2.gz SQNVVMMAPUMTDL-CHWSQXEVSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)C)CS1 ZINC000309636421 384184718 /nfs/dbraw/zinc/18/47/18/384184718.db2.gz SQNVVMMAPUMTDL-OLZOCXBDSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)C)CS1 ZINC000309636422 527883738 /nfs/dbraw/zinc/88/37/38/527883738.db2.gz SQNVVMMAPUMTDL-QWHCGFSZSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)C)CS1 ZINC000309636423 384184798 /nfs/dbraw/zinc/18/47/98/384184798.db2.gz SQNVVMMAPUMTDL-STQMWFEESA-N 1 0 243.460 3.788 20 0 BHADRO FCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000309636529 323439264 /nfs/dbraw/zinc/43/92/64/323439264.db2.gz MTGKRUDBUBFDSC-UHFFFAOYSA-N 1 0 227.367 3.829 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309637086 491153360 /nfs/dbraw/zinc/15/33/60/491153360.db2.gz SXOFMNWZDNOXBF-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309637087 491153343 /nfs/dbraw/zinc/15/33/43/491153343.db2.gz SXOFMNWZDNOXBF-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309637088 491153388 /nfs/dbraw/zinc/15/33/88/491153388.db2.gz SXOFMNWZDNOXBF-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309637089 491153345 /nfs/dbraw/zinc/15/33/45/491153345.db2.gz SXOFMNWZDNOXBF-WHOHXGKFSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1nc(C[NH2+]C(C(C)C)C(C)C)sc1C ZINC000309637635 491153347 /nfs/dbraw/zinc/15/33/47/491153347.db2.gz SZBCDNPGQBPSLL-UHFFFAOYSA-N 1 0 240.416 3.530 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCC1(F)CCC1 ZINC000309639666 388459924 /nfs/dbraw/zinc/45/99/24/388459924.db2.gz UJPDYMJWPIWVHW-CHWSQXEVSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCC1(F)CCC1 ZINC000309639667 388460043 /nfs/dbraw/zinc/46/00/43/388460043.db2.gz UJPDYMJWPIWVHW-OLZOCXBDSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CCC1(F)CCC1 ZINC000309639668 388459894 /nfs/dbraw/zinc/45/98/94/388459894.db2.gz UJPDYMJWPIWVHW-QWHCGFSZSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CCC1(F)CCC1 ZINC000309639669 384184801 /nfs/dbraw/zinc/18/48/01/384184801.db2.gz UJPDYMJWPIWVHW-STQMWFEESA-N 1 0 227.367 3.685 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000309640012 388459671 /nfs/dbraw/zinc/45/96/71/388459671.db2.gz KNPIALFKPVANTH-NEPJUHHUSA-N 1 0 223.335 3.648 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000309640014 529706604 /nfs/dbraw/zinc/70/66/04/529706604.db2.gz KNPIALFKPVANTH-NWDGAFQWSA-N 1 0 223.335 3.648 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000309640015 388459753 /nfs/dbraw/zinc/45/97/53/388459753.db2.gz KNPIALFKPVANTH-RYUDHWBXSA-N 1 0 223.335 3.648 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000309640017 529706741 /nfs/dbraw/zinc/70/67/41/529706741.db2.gz KNPIALFKPVANTH-VXGBXAGGSA-N 1 0 223.335 3.648 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000309640960 388459886 /nfs/dbraw/zinc/45/98/86/388459886.db2.gz UOYDJWPYJQOKKP-CRWXNKLISA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000309640961 388459704 /nfs/dbraw/zinc/45/97/04/388459704.db2.gz UOYDJWPYJQOKKP-MQYQWHSLSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000309640962 388459721 /nfs/dbraw/zinc/45/97/21/388459721.db2.gz UOYDJWPYJQOKKP-RFQIPJPRSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000309640963 342771696 /nfs/dbraw/zinc/77/16/96/342771696.db2.gz UOYDJWPYJQOKKP-YIYPIFLZSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1ccoc1 ZINC000309641001 187483097 /nfs/dbraw/zinc/48/30/97/187483097.db2.gz UQCAOJMWFIPQOT-CHWSQXEVSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1ccoc1 ZINC000309641002 187310290 /nfs/dbraw/zinc/31/02/90/187310290.db2.gz UQCAOJMWFIPQOT-OLZOCXBDSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1ccoc1 ZINC000309641003 384676641 /nfs/dbraw/zinc/67/66/41/384676641.db2.gz UQCAOJMWFIPQOT-QWHCGFSZSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccoc1 ZINC000309641004 385765269 /nfs/dbraw/zinc/76/52/69/385765269.db2.gz UQCAOJMWFIPQOT-STQMWFEESA-N 1 0 223.360 3.830 20 0 BHADRO Cc1occc1C[NH2+]CCC1CCCCC1 ZINC000309641324 180543100 /nfs/dbraw/zinc/54/31/00/180543100.db2.gz OTVHECLEBGZDLB-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000309642231 633982266 /nfs/dbraw/zinc/98/22/66/633982266.db2.gz UWBKXENVLYTTAZ-GFCCVEGCSA-N 1 0 231.330 3.877 20 0 BHADRO FC1(F)CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000309642232 632610990 /nfs/dbraw/zinc/61/09/90/632610990.db2.gz UWBKXENVLYTTAZ-LBPRGKRZSA-N 1 0 231.330 3.877 20 0 BHADRO CCCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC000309642880 342775076 /nfs/dbraw/zinc/77/50/76/342775076.db2.gz LDYJLRXTWCBHLZ-UHFFFAOYSA-N 1 0 217.356 3.529 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1sccc1OC ZINC000309643863 384189452 /nfs/dbraw/zinc/18/94/52/384189452.db2.gz VKYAWWVCFQUHBF-JTQLQIEISA-N 1 0 241.400 3.844 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1sccc1OC ZINC000309643866 384190325 /nfs/dbraw/zinc/19/03/25/384190325.db2.gz VKYAWWVCFQUHBF-SNVBAGLBSA-N 1 0 241.400 3.844 20 0 BHADRO CC(C)(CF)[NH2+]Cc1cc2ccccc2s1 ZINC000309644068 384189435 /nfs/dbraw/zinc/18/94/35/384189435.db2.gz VLIRVDQZWRNGRZ-UHFFFAOYSA-N 1 0 237.343 3.739 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCCCCF ZINC000309644718 385768527 /nfs/dbraw/zinc/76/85/27/385768527.db2.gz VQXVLGSCFZPYIO-JTQLQIEISA-N 1 0 243.288 3.693 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCCCCF ZINC000309644719 528428067 /nfs/dbraw/zinc/42/80/67/528428067.db2.gz VQXVLGSCFZPYIO-SNVBAGLBSA-N 1 0 243.288 3.693 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C(C)(C)CC(F)(F)F ZINC000309645798 491153488 /nfs/dbraw/zinc/15/34/88/491153488.db2.gz VZSQPRMCFVOFRY-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C(C)(C)CC(F)(F)F ZINC000309645800 491153507 /nfs/dbraw/zinc/15/35/07/491153507.db2.gz VZSQPRMCFVOFRY-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000309646548 582903692 /nfs/dbraw/zinc/90/36/92/582903692.db2.gz WEJRNYQPGNFWHA-ABXWRUBCSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000309646550 582903780 /nfs/dbraw/zinc/90/37/80/582903780.db2.gz WEJRNYQPGNFWHA-BLYZHGLHSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000309646551 582903776 /nfs/dbraw/zinc/90/37/76/582903776.db2.gz WEJRNYQPGNFWHA-GFJIZPEISA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000309646552 582903689 /nfs/dbraw/zinc/90/36/89/582903689.db2.gz WEJRNYQPGNFWHA-RYSNWHEDSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309646589 384192862 /nfs/dbraw/zinc/19/28/62/384192862.db2.gz WFHNMFQNQACXGC-KBPBESRZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309646591 528226576 /nfs/dbraw/zinc/22/65/76/528226576.db2.gz WFHNMFQNQACXGC-KGLIPLIRSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309646592 384190953 /nfs/dbraw/zinc/19/09/53/384190953.db2.gz WFHNMFQNQACXGC-UONOGXRCSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309646593 384192392 /nfs/dbraw/zinc/19/23/92/384192392.db2.gz WFHNMFQNQACXGC-ZIAGYGMSSA-N 1 0 241.444 3.544 20 0 BHADRO Clc1cccc(C2([NH2+]CC3CCC3)CC2)c1 ZINC000309647346 384192953 /nfs/dbraw/zinc/19/29/53/384192953.db2.gz QXAXEAIWBYTKMH-UHFFFAOYSA-N 1 0 235.758 3.719 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+]C1CCCC1 ZINC000309647421 385771940 /nfs/dbraw/zinc/77/19/40/385771940.db2.gz QYLITRGMVXYKLW-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCSC(C)C)o1 ZINC000309648237 385767422 /nfs/dbraw/zinc/76/74/22/385767422.db2.gz NBCVKVJQEBKJGV-LLVKDONJSA-N 1 0 241.400 3.634 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCSC(C)C)o1 ZINC000309648238 385768212 /nfs/dbraw/zinc/76/82/12/385768212.db2.gz NBCVKVJQEBKJGV-NSHDSACASA-N 1 0 241.400 3.634 20 0 BHADRO Cc1occc1C[NH2+]C1CCCCCCC1 ZINC000309648836 633981968 /nfs/dbraw/zinc/98/19/68/633981968.db2.gz RRBKPLYSANSJCQ-UHFFFAOYSA-N 1 0 221.344 3.791 20 0 BHADRO Clc1ccc(C[NH2+]CC23CCC(CC2)C3)o1 ZINC000309650171 385769856 /nfs/dbraw/zinc/76/98/56/385769856.db2.gz SJBNVGSQFIHGDI-UHFFFAOYSA-N 1 0 239.746 3.603 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309652448 388459959 /nfs/dbraw/zinc/45/99/59/388459959.db2.gz YGCICOCPAWBJSF-BFHYXJOUSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309652449 528464676 /nfs/dbraw/zinc/46/46/76/528464676.db2.gz YGCICOCPAWBJSF-IHRRRGAJSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309652981 528464530 /nfs/dbraw/zinc/46/45/30/528464530.db2.gz YGCICOCPAWBJSF-MELADBBJSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309652983 388460424 /nfs/dbraw/zinc/46/04/24/388460424.db2.gz YGCICOCPAWBJSF-MJBXVCDLSA-N 1 0 243.460 3.790 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000309653167 342776368 /nfs/dbraw/zinc/77/63/68/342776368.db2.gz OTDUSKHRXRGNBW-AWEZNQCLSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000309653168 342776343 /nfs/dbraw/zinc/77/63/43/342776343.db2.gz OTDUSKHRXRGNBW-CQSZACIVSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1cnc(C[NH2+]C(CC)(CC)CC)s1 ZINC000309653196 388460917 /nfs/dbraw/zinc/46/09/17/388460917.db2.gz OVVYLMSDRHMSAA-UHFFFAOYSA-N 1 0 240.416 3.764 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H](N[C@H](C)C(F)(F)F)C1 ZINC000309653498 385772649 /nfs/dbraw/zinc/77/26/49/385772649.db2.gz YKUFKXMIFWRMKJ-GMTAPVOTSA-N 1 0 237.309 3.742 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000309653781 385772349 /nfs/dbraw/zinc/77/23/49/385772349.db2.gz YNFHAIIKYXLZIX-COPLHBTASA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000309653789 385771217 /nfs/dbraw/zinc/77/12/17/385771217.db2.gz YNFHAIIKYXLZIX-JTNHKYCSSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000309653798 385772091 /nfs/dbraw/zinc/77/20/91/385772091.db2.gz YNFHAIIKYXLZIX-MISXGVKJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000309653808 385772076 /nfs/dbraw/zinc/77/20/76/385772076.db2.gz YNFHAIIKYXLZIX-UHIISALHSA-N 1 0 221.344 3.502 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)o1 ZINC000309654219 388460330 /nfs/dbraw/zinc/46/03/30/388460330.db2.gz PDCKQNSXAZWRHG-GWCFXTLKSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)o1 ZINC000309654221 388460473 /nfs/dbraw/zinc/46/04/73/388460473.db2.gz PDCKQNSXAZWRHG-GXFFZTMASA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)o1 ZINC000309654223 388460337 /nfs/dbraw/zinc/46/03/37/388460337.db2.gz PDCKQNSXAZWRHG-MFKMUULPSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)o1 ZINC000309654225 529706980 /nfs/dbraw/zinc/70/69/80/529706980.db2.gz PDCKQNSXAZWRHG-ZWNOBZJWSA-N 1 0 221.344 3.681 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CS1 ZINC000309655047 528787166 /nfs/dbraw/zinc/78/71/66/528787166.db2.gz YXOKDIRFSFLRTO-RFGFWPKPSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)CS1 ZINC000309655048 388459917 /nfs/dbraw/zinc/45/99/17/388459917.db2.gz YXOKDIRFSFLRTO-RQJABVFESA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)CS1 ZINC000309655049 388460517 /nfs/dbraw/zinc/46/05/17/388460517.db2.gz YXOKDIRFSFLRTO-XJFOESAGSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CS1 ZINC000309655050 527884523 /nfs/dbraw/zinc/88/45/23/527884523.db2.gz YXOKDIRFSFLRTO-ZOBORPQBSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309655550 491153771 /nfs/dbraw/zinc/15/37/71/491153771.db2.gz ZAFOKPKLTPQVHQ-QJPTWQEYSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309655551 491153759 /nfs/dbraw/zinc/15/37/59/491153759.db2.gz ZAFOKPKLTPQVHQ-SDDRHHMPSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309655552 491153788 /nfs/dbraw/zinc/15/37/88/491153788.db2.gz ZAFOKPKLTPQVHQ-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309655553 491153781 /nfs/dbraw/zinc/15/37/81/491153781.db2.gz ZAFOKPKLTPQVHQ-TUAOUCFPSA-N 1 0 231.330 3.589 20 0 BHADRO C1SCC1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000309656679 491153834 /nfs/dbraw/zinc/15/38/34/491153834.db2.gz ZNNHVMBMBWOFKJ-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCC(C)C)o1 ZINC000309657499 388000858 /nfs/dbraw/zinc/00/08/58/388000858.db2.gz ZUTGYRFGYZUAJD-GFCCVEGCSA-N 1 0 223.360 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCC(C)C)o1 ZINC000309657500 323443723 /nfs/dbraw/zinc/44/37/23/323443723.db2.gz ZUTGYRFGYZUAJD-LBPRGKRZSA-N 1 0 223.360 3.545 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000309657523 491153853 /nfs/dbraw/zinc/15/38/53/491153853.db2.gz ZWWASBFGMMBNKQ-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CCC1 ZINC000309657524 491085542 /nfs/dbraw/zinc/08/55/42/491085542.db2.gz ZWWASBFGMMBNKQ-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CCC1 ZINC000309657525 491153876 /nfs/dbraw/zinc/15/38/76/491153876.db2.gz ZWWASBFGMMBNKQ-MELADBBJSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CCC1 ZINC000309657526 491153846 /nfs/dbraw/zinc/15/38/46/491153846.db2.gz ZWWASBFGMMBNKQ-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CCC2 ZINC000309658429 323443706 /nfs/dbraw/zinc/44/37/06/323443706.db2.gz XAMXXPNWBVENIA-AWEZNQCLSA-N 1 0 235.758 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]CC1CC1)CCC2 ZINC000309658431 323443920 /nfs/dbraw/zinc/44/39/20/323443920.db2.gz XAMXXPNWBVENIA-CQSZACIVSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC1(F)CCC1 ZINC000309659527 384194647 /nfs/dbraw/zinc/19/46/47/384194647.db2.gz APEJKJKQISPJSS-ITGUQSILSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC1(F)CCC1 ZINC000309659529 384194859 /nfs/dbraw/zinc/19/48/59/384194859.db2.gz APEJKJKQISPJSS-RYUDHWBXSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC1(F)CCC1 ZINC000309659530 384194369 /nfs/dbraw/zinc/19/43/69/384194369.db2.gz APEJKJKQISPJSS-VXGBXAGGSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C[NH2+]Cc2ccc3sccc3c2)CC1 ZINC000309659948 323443927 /nfs/dbraw/zinc/44/39/27/323443927.db2.gz APNJGBHYQKLZOB-UHFFFAOYSA-N 1 0 231.364 3.791 20 0 BHADRO CC(C)([NH2+]CCCCF)c1ccc(Cl)cc1 ZINC000309660481 388460467 /nfs/dbraw/zinc/46/04/67/388460467.db2.gz FWFLVPDXFBFSHH-UHFFFAOYSA-N 1 0 243.753 3.914 20 0 BHADRO CC(C)C([NH2+]Cc1cccc(Cl)n1)C(C)C ZINC000309660577 632627429 /nfs/dbraw/zinc/62/74/29/632627429.db2.gz FZZSBAUBBDHNFN-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CCCc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000309660728 342776515 /nfs/dbraw/zinc/77/65/15/342776515.db2.gz RESIQVRCCKTYSS-UHFFFAOYSA-N 1 0 219.372 3.917 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000309661166 384194042 /nfs/dbraw/zinc/19/40/42/384194042.db2.gz AXAUFYNGHBGZRI-AYRXBEOTSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000309661170 384193617 /nfs/dbraw/zinc/19/36/17/384193617.db2.gz AXAUFYNGHBGZRI-DHMWGJHJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000309661175 534242975 /nfs/dbraw/zinc/24/29/75/534242975.db2.gz AXAUFYNGHBGZRI-OSRDXIQISA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000309661178 384193957 /nfs/dbraw/zinc/19/39/57/384193957.db2.gz AXAUFYNGHBGZRI-PAPYEOQZSA-N 1 0 221.388 3.591 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC=CCC1 ZINC000309661245 384194238 /nfs/dbraw/zinc/19/42/38/384194238.db2.gz AXPXIKBYTZGFAV-KKUMJFAQSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC=CCC1 ZINC000309661249 528108088 /nfs/dbraw/zinc/10/80/88/528108088.db2.gz AXPXIKBYTZGFAV-RRFJBIMHSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC=CCC1 ZINC000309661253 384194875 /nfs/dbraw/zinc/19/48/75/384194875.db2.gz AXPXIKBYTZGFAV-SOUVJXGZSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC=CCC1 ZINC000309661257 528109498 /nfs/dbraw/zinc/10/94/98/528109498.db2.gz AXPXIKBYTZGFAV-ZNMIVQPWSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000309661301 388007430 /nfs/dbraw/zinc/00/74/30/388007430.db2.gz AYJITYALMOCBJQ-AWEZNQCLSA-N 1 0 235.758 3.928 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000309661302 388007196 /nfs/dbraw/zinc/00/71/96/388007196.db2.gz AYJITYALMOCBJQ-CQSZACIVSA-N 1 0 235.758 3.928 20 0 BHADRO C1C[C@@H]2C[C@H]([NH2+]C3CCCCC3)CC[C@@H]2C1 ZINC000309661702 384193508 /nfs/dbraw/zinc/19/35/08/384193508.db2.gz GGFWMEAEPPBMSS-GZBFAFLISA-N 1 0 221.388 3.878 20 0 BHADRO C1C[C@H]2CC[C@@H]([NH2+]C3CCCCC3)C[C@@H]2C1 ZINC000309661704 384194722 /nfs/dbraw/zinc/19/47/22/384194722.db2.gz GGFWMEAEPPBMSS-KCQAQPDRSA-N 1 0 221.388 3.878 20 0 BHADRO C1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)C[C@H]2C1 ZINC000309661706 384194717 /nfs/dbraw/zinc/19/47/17/384194717.db2.gz GGFWMEAEPPBMSS-UMVBOHGHSA-N 1 0 221.388 3.878 20 0 BHADRO C1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)C[C@@H]2C1 ZINC000309661708 384193948 /nfs/dbraw/zinc/19/39/48/384193948.db2.gz GGFWMEAEPPBMSS-VNHYZAJKSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C1CC1 ZINC000309661775 384194162 /nfs/dbraw/zinc/19/41/62/384194162.db2.gz GGXPTEASLKJQMX-FPMFFAJLSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C1CC1 ZINC000309661778 527850259 /nfs/dbraw/zinc/85/02/59/527850259.db2.gz GGXPTEASLKJQMX-KWCYVHTRSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C1CC1 ZINC000309661782 384194260 /nfs/dbraw/zinc/19/42/60/384194260.db2.gz GGXPTEASLKJQMX-UBHSHLNASA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CSC[C@H]1C)C1CC1 ZINC000309661785 527850432 /nfs/dbraw/zinc/85/04/32/527850432.db2.gz GGXPTEASLKJQMX-XBFCOCLRSA-N 1 0 241.444 3.542 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]C2CC(C)(C)C2)cs1 ZINC000309662086 172002082 /nfs/dbraw/zinc/00/20/82/172002082.db2.gz RPTRJXNIJLOTFO-SECBINFHSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+]C2CC(C)(C)C2)cs1 ZINC000309662087 172006244 /nfs/dbraw/zinc/00/62/44/172006244.db2.gz RPTRJXNIJLOTFO-VIFPVBQESA-N 1 0 238.400 3.545 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)o1 ZINC000309664288 388460541 /nfs/dbraw/zinc/46/05/41/388460541.db2.gz SPXAPIKRMUDNHO-GRYCIOLGSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)o1 ZINC000309664289 388460548 /nfs/dbraw/zinc/46/05/48/388460548.db2.gz SPXAPIKRMUDNHO-SDDRHHMPSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)o1 ZINC000309664291 388460953 /nfs/dbraw/zinc/46/09/53/388460953.db2.gz SPXAPIKRMUDNHO-SRVKXCTJSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000309664292 388460287 /nfs/dbraw/zinc/46/02/87/388460287.db2.gz SPXAPIKRMUDNHO-WOPDTQHZSA-N 1 0 221.344 3.681 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000309665926 384193438 /nfs/dbraw/zinc/19/34/38/384193438.db2.gz HTITYCHTCKHNFD-LLVKDONJSA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000309665927 384194084 /nfs/dbraw/zinc/19/40/84/384194084.db2.gz HTITYCHTCKHNFD-NSHDSACASA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)[NH2+][C@H]1CCc2ccc(C(C)C)cc21 ZINC000309666351 527760405 /nfs/dbraw/zinc/76/04/05/527760405.db2.gz HZCUVQABAXMMEY-HNNXBMFYSA-N 1 0 217.356 3.795 20 0 BHADRO CC(C)[NH2+][C@@H]1CCc2ccc(C(C)C)cc21 ZINC000309666353 384194557 /nfs/dbraw/zinc/19/45/57/384194557.db2.gz HZCUVQABAXMMEY-OAHLLOKOSA-N 1 0 217.356 3.795 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CCC1)c1ccoc1 ZINC000309666692 347132880 /nfs/dbraw/zinc/13/28/80/347132880.db2.gz IGUCKKVKICVRNB-AWEZNQCLSA-N 1 0 221.344 3.899 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CCC1)c1ccoc1 ZINC000309666693 385782260 /nfs/dbraw/zinc/78/22/60/385782260.db2.gz IGUCKKVKICVRNB-CQSZACIVSA-N 1 0 221.344 3.899 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]C2CC2)c2ccccc21 ZINC000309666713 167502162 /nfs/dbraw/zinc/50/21/62/167502162.db2.gz IHOLWWCVODXSEB-CABCVRRESA-N 1 0 215.340 3.623 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C2CC2)c2ccccc21 ZINC000309666714 385784605 /nfs/dbraw/zinc/78/46/05/385784605.db2.gz IHOLWWCVODXSEB-GJZGRUSLSA-N 1 0 215.340 3.623 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CC2)c2ccccc21 ZINC000309666715 385784880 /nfs/dbraw/zinc/78/48/80/385784880.db2.gz IHOLWWCVODXSEB-HUUCEWRRSA-N 1 0 215.340 3.623 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CC2)c2ccccc21 ZINC000309666716 385783768 /nfs/dbraw/zinc/78/37/68/385783768.db2.gz IHOLWWCVODXSEB-LSDHHAIUSA-N 1 0 215.340 3.623 20 0 BHADRO CCCc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000309668248 491058417 /nfs/dbraw/zinc/05/84/17/491058417.db2.gz VABWYYUSICGDEG-UHFFFAOYSA-N 1 0 217.356 3.671 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000309668381 384193657 /nfs/dbraw/zinc/19/36/57/384193657.db2.gz IUQNGZMCBIEBGH-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000309668382 526733779 /nfs/dbraw/zinc/73/37/79/526733779.db2.gz IUQNGZMCBIEBGH-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000309668383 384194187 /nfs/dbraw/zinc/19/41/87/384194187.db2.gz IUQNGZMCBIEBGH-SGMGOOAPSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000309668384 526673553 /nfs/dbraw/zinc/67/35/53/526673553.db2.gz IUQNGZMCBIEBGH-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000309668784 527706357 /nfs/dbraw/zinc/70/63/57/527706357.db2.gz IYUMVRVPOOYFLO-KBPBESRZSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000309668785 527705659 /nfs/dbraw/zinc/70/56/59/527705659.db2.gz IYUMVRVPOOYFLO-KGLIPLIRSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000309668786 388460387 /nfs/dbraw/zinc/46/03/87/388460387.db2.gz IYUMVRVPOOYFLO-UONOGXRCSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000309668787 388460755 /nfs/dbraw/zinc/46/07/55/388460755.db2.gz IYUMVRVPOOYFLO-ZIAGYGMSSA-N 1 0 229.408 3.604 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)Cc1cccs1 ZINC000309669679 491154235 /nfs/dbraw/zinc/15/42/35/491154235.db2.gz JIOXYTCUOOLFHV-GFCCVEGCSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000309669680 491154243 /nfs/dbraw/zinc/15/42/43/491154243.db2.gz JIOXYTCUOOLFHV-LBPRGKRZSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000309671665 491153635 /nfs/dbraw/zinc/15/36/35/491153635.db2.gz KBUAHFPMNPQYHG-GHMZBOCLSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000309671666 491153643 /nfs/dbraw/zinc/15/36/43/491153643.db2.gz KBUAHFPMNPQYHG-MNOVXSKESA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000309671667 491153596 /nfs/dbraw/zinc/15/35/96/491153596.db2.gz KBUAHFPMNPQYHG-QWRGUYRKSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000309671668 491153591 /nfs/dbraw/zinc/15/35/91/491153591.db2.gz KBUAHFPMNPQYHG-WDEREUQCSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000309672029 388460579 /nfs/dbraw/zinc/46/05/79/388460579.db2.gz KJXCDLKGNABTGU-HZSPNIEDSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000309672031 384200903 /nfs/dbraw/zinc/20/09/03/384200903.db2.gz KJXCDLKGNABTGU-IHRRRGAJSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)F ZINC000309672033 384200081 /nfs/dbraw/zinc/20/00/81/384200081.db2.gz KJXCDLKGNABTGU-MELADBBJSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000309672034 384200352 /nfs/dbraw/zinc/20/03/52/384200352.db2.gz KJXCDLKGNABTGU-RDBSUJKOSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000309673253 491153657 /nfs/dbraw/zinc/15/36/57/491153657.db2.gz KTCIJUHHKZTXJT-NEPJUHHUSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000309673254 491153715 /nfs/dbraw/zinc/15/37/15/491153715.db2.gz KTCIJUHHKZTXJT-NWDGAFQWSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000309673255 491153686 /nfs/dbraw/zinc/15/36/86/491153686.db2.gz KTCIJUHHKZTXJT-RYUDHWBXSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000309673256 491153667 /nfs/dbraw/zinc/15/36/67/491153667.db2.gz KTCIJUHHKZTXJT-VXGBXAGGSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1cccc(Cl)c1 ZINC000309674027 388460428 /nfs/dbraw/zinc/46/04/28/388460428.db2.gz LBEBDRRZISXCRA-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000309674494 633222266 /nfs/dbraw/zinc/22/22/66/633222266.db2.gz LGQXKCWCQNFSHI-LLVKDONJSA-N 1 0 240.778 3.568 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000309674495 632640450 /nfs/dbraw/zinc/64/04/50/632640450.db2.gz LGQXKCWCQNFSHI-NSHDSACASA-N 1 0 240.778 3.568 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000309675468 388460947 /nfs/dbraw/zinc/46/09/47/388460947.db2.gz LPQFNIWQQOKIJA-MRVPVSSYSA-N 1 0 247.716 3.752 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000309675469 388460891 /nfs/dbraw/zinc/46/08/91/388460891.db2.gz LPQFNIWQQOKIJA-QMMMGPOBSA-N 1 0 247.716 3.752 20 0 BHADRO CC(C)C1CC([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000309677439 342783128 /nfs/dbraw/zinc/78/31/28/342783128.db2.gz MFELYEPDKVBJLB-UHFFFAOYSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)CCC[NH2+]Cc1nc(C(C)C)cs1 ZINC000309678084 385781089 /nfs/dbraw/zinc/78/10/89/385781089.db2.gz MLAFMRDAAWTNEI-UHFFFAOYSA-N 1 0 240.416 3.792 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CCCC2)CS1 ZINC000309678489 388460403 /nfs/dbraw/zinc/46/04/03/388460403.db2.gz MQCZFLZYAYLYGR-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CS1 ZINC000309678490 388460464 /nfs/dbraw/zinc/46/04/64/388460464.db2.gz MQCZFLZYAYLYGR-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CCCC2)CS1 ZINC000309678491 388460752 /nfs/dbraw/zinc/46/07/52/388460752.db2.gz MQCZFLZYAYLYGR-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CCCC2)CS1 ZINC000309678492 388460400 /nfs/dbraw/zinc/46/04/00/388460400.db2.gz MQCZFLZYAYLYGR-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO C1=CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000309679739 385792492 /nfs/dbraw/zinc/79/24/92/385792492.db2.gz MXYCWQJMFHMEPP-CYBMUJFWSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000309679741 187310025 /nfs/dbraw/zinc/31/00/25/187310025.db2.gz MXYCWQJMFHMEPP-ZDUSSCGKSA-N 1 0 219.372 3.655 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000309679854 166894979 /nfs/dbraw/zinc/89/49/79/166894979.db2.gz MZPGISONZOYPNJ-CHWSQXEVSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000309679858 384719156 /nfs/dbraw/zinc/71/91/56/384719156.db2.gz MZPGISONZOYPNJ-OLZOCXBDSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000309679864 347134455 /nfs/dbraw/zinc/13/44/55/347134455.db2.gz MZPGISONZOYPNJ-QWHCGFSZSA-N 1 0 223.360 3.625 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000309679870 344434123 /nfs/dbraw/zinc/43/41/23/344434123.db2.gz MZPGISONZOYPNJ-STQMWFEESA-N 1 0 223.360 3.625 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CC(C)(C)C ZINC000309679902 388460838 /nfs/dbraw/zinc/46/08/38/388460838.db2.gz MZVDTRUUOFPTRG-JLHYYAGUSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000309683226 388461606 /nfs/dbraw/zinc/46/16/06/388461606.db2.gz GUHADPXVTMQDJW-CYBMUJFWSA-N 1 0 219.372 3.741 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000309683234 388461529 /nfs/dbraw/zinc/46/15/29/388461529.db2.gz GUHADPXVTMQDJW-ZDUSSCGKSA-N 1 0 219.372 3.741 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000309684358 633226209 /nfs/dbraw/zinc/22/62/09/633226209.db2.gz GYVZVVGSNJZWDS-NXEZZACHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000309684366 633988648 /nfs/dbraw/zinc/98/86/48/633988648.db2.gz GYVZVVGSNJZWDS-UWVGGRQHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000309684372 633988742 /nfs/dbraw/zinc/98/87/42/633988742.db2.gz GYVZVVGSNJZWDS-VHSXEESVSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000309684377 633989259 /nfs/dbraw/zinc/98/92/59/633989259.db2.gz GYVZVVGSNJZWDS-ZJUUUORDSA-N 1 0 239.384 3.596 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000309687258 491154412 /nfs/dbraw/zinc/15/44/12/491154412.db2.gz HRKLVZDFMDDOSE-CMPLNLGQSA-N 1 0 220.360 3.538 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000309687259 491154446 /nfs/dbraw/zinc/15/44/46/491154446.db2.gz HRKLVZDFMDDOSE-JQWIXIFHSA-N 1 0 220.360 3.538 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000309687260 491154442 /nfs/dbraw/zinc/15/44/42/491154442.db2.gz HRKLVZDFMDDOSE-PWSUYJOCSA-N 1 0 220.360 3.538 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000309687261 491154435 /nfs/dbraw/zinc/15/44/35/491154435.db2.gz HRKLVZDFMDDOSE-ZYHUDNBSSA-N 1 0 220.360 3.538 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(Cl)nc1 ZINC000309687355 633227369 /nfs/dbraw/zinc/22/73/69/633227369.db2.gz HURSCXQIFZGIOL-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CC(C)CC(C)(C)C[NH2+]C1CC(C(F)F)C1 ZINC000309687520 632652077 /nfs/dbraw/zinc/65/20/77/632652077.db2.gz OONURWSFQFPPDC-UHFFFAOYSA-N 1 0 233.346 3.692 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309687932 385789158 /nfs/dbraw/zinc/78/91/58/385789158.db2.gz HZWXAYBBYNEZRC-KBPBESRZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309687934 385788667 /nfs/dbraw/zinc/78/86/67/385788667.db2.gz HZWXAYBBYNEZRC-KGLIPLIRSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309687936 385788564 /nfs/dbraw/zinc/78/85/64/385788564.db2.gz HZWXAYBBYNEZRC-UONOGXRCSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309687939 179806574 /nfs/dbraw/zinc/80/65/74/179806574.db2.gz HZWXAYBBYNEZRC-ZIAGYGMSSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000309688412 370243555 /nfs/dbraw/zinc/24/35/55/370243555.db2.gz IEKFMYPKPYRVGB-IMRBUKKESA-N 1 0 235.758 3.537 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309688683 529289842 /nfs/dbraw/zinc/28/98/42/529289842.db2.gz IGZPKBGPSXPIIV-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309688684 384202434 /nfs/dbraw/zinc/20/24/34/384202434.db2.gz IGZPKBGPSXPIIV-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309688685 384201950 /nfs/dbraw/zinc/20/19/50/384201950.db2.gz IGZPKBGPSXPIIV-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309688687 384201723 /nfs/dbraw/zinc/20/17/23/384201723.db2.gz IGZPKBGPSXPIIV-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc(Cl)nc(C[NH2+]CCC(C)(C)C)c1 ZINC000309690221 633226908 /nfs/dbraw/zinc/22/69/08/633226908.db2.gz IYBAFVOEHFHUNC-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC1CCC1 ZINC000309690235 491154526 /nfs/dbraw/zinc/15/45/26/491154526.db2.gz IYXAUCYIQVKKFN-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)CC1CCC1 ZINC000309690236 491154523 /nfs/dbraw/zinc/15/45/23/491154523.db2.gz IYXAUCYIQVKKFN-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)CC1CCC1 ZINC000309690237 491154495 /nfs/dbraw/zinc/15/44/95/491154495.db2.gz IYXAUCYIQVKKFN-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CC1CCC1 ZINC000309690238 491154512 /nfs/dbraw/zinc/15/45/12/491154512.db2.gz IYXAUCYIQVKKFN-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309690439 384201906 /nfs/dbraw/zinc/20/19/06/384201906.db2.gz JCRXYGLCTSNIAY-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309690440 529210979 /nfs/dbraw/zinc/21/09/79/529210979.db2.gz JCRXYGLCTSNIAY-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309690441 529207355 /nfs/dbraw/zinc/20/73/55/529207355.db2.gz JCRXYGLCTSNIAY-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309690443 384203100 /nfs/dbraw/zinc/20/31/00/384203100.db2.gz JCRXYGLCTSNIAY-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000309690849 528067567 /nfs/dbraw/zinc/06/75/67/528067567.db2.gz JEOCKWSXBRIVLS-JXQTWKCFSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000309690850 388461145 /nfs/dbraw/zinc/46/11/45/388461145.db2.gz JEOCKWSXBRIVLS-RUXDESIVSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1cc(C[NH2+]C2CC3(CCC3)C2)c(C)s1 ZINC000309690870 491154519 /nfs/dbraw/zinc/15/45/19/491154519.db2.gz JFGBXBYYNHXTHR-UHFFFAOYSA-N 1 0 235.396 3.787 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CCCCC1 ZINC000309690876 633988391 /nfs/dbraw/zinc/98/83/91/633988391.db2.gz JFMJIOTUXBIYTF-UHFFFAOYSA-N 1 0 221.319 3.556 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309690931 491154529 /nfs/dbraw/zinc/15/45/29/491154529.db2.gz JHLXBAUONCPJBN-HBIQZDMRSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309690932 491154531 /nfs/dbraw/zinc/15/45/31/491154531.db2.gz JHLXBAUONCPJBN-WNYYMSAVSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309690934 491154509 /nfs/dbraw/zinc/15/45/09/491154509.db2.gz JHLXBAUONCPJBN-XKGSQUFQSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000309690936 491154490 /nfs/dbraw/zinc/15/44/90/491154490.db2.gz JHLXBAUONCPJBN-YYJSSNLHSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)c2cccs2)o1 ZINC000309691368 385795002 /nfs/dbraw/zinc/79/50/02/385795002.db2.gz JMIHQPLKLOJFRL-UHFFFAOYSA-N 1 0 235.352 3.674 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309691749 491154591 /nfs/dbraw/zinc/15/45/91/491154591.db2.gz JRWOGMSIRCGGIK-JTQLQIEISA-N 1 0 240.416 3.719 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309691750 491154573 /nfs/dbraw/zinc/15/45/73/491154573.db2.gz JRWOGMSIRCGGIK-SNVBAGLBSA-N 1 0 240.416 3.719 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000309692453 529340099 /nfs/dbraw/zinc/34/00/99/529340099.db2.gz JZQXESYOCIWCAR-DGAVXFQQSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000309692454 529339979 /nfs/dbraw/zinc/33/99/79/529339979.db2.gz JZQXESYOCIWCAR-FQUUOJAGSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000309692455 388461702 /nfs/dbraw/zinc/46/17/02/388461702.db2.gz JZQXESYOCIWCAR-IGQOVBAYSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000309692456 388461172 /nfs/dbraw/zinc/46/11/72/388461172.db2.gz JZQXESYOCIWCAR-REWJHTLYSA-N 1 0 241.444 3.544 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCSCC(C)C)CC1 ZINC000309693539 370245248 /nfs/dbraw/zinc/24/52/48/370245248.db2.gz QNHKCIDERHCFDS-AWEZNQCLSA-N 1 0 241.444 3.854 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCSCC(C)C)CC1 ZINC000309693542 370245263 /nfs/dbraw/zinc/24/52/63/370245263.db2.gz QNHKCIDERHCFDS-CQSZACIVSA-N 1 0 241.444 3.854 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000309693663 384200384 /nfs/dbraw/zinc/20/03/84/384200384.db2.gz KKUKTNFBOSMBRW-BPLDGKMQSA-N 1 0 217.356 3.711 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000309693665 528068318 /nfs/dbraw/zinc/06/83/18/528068318.db2.gz KKUKTNFBOSMBRW-QEJZJMRPSA-N 1 0 217.356 3.711 20 0 BHADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C1CC1 ZINC000309694346 179340163 /nfs/dbraw/zinc/34/01/63/179340163.db2.gz QVLUIRFSBCKSEJ-HNNXBMFYSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC1 ZINC000309694348 179323122 /nfs/dbraw/zinc/32/31/22/179323122.db2.gz QVLUIRFSBCKSEJ-OAHLLOKOSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309694349 388460829 /nfs/dbraw/zinc/46/08/29/388460829.db2.gz QVLVJAKTYQBCMT-GHMZBOCLSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309694351 388460599 /nfs/dbraw/zinc/46/05/99/388460599.db2.gz QVLVJAKTYQBCMT-MNOVXSKESA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309694353 528972383 /nfs/dbraw/zinc/97/23/83/528972383.db2.gz QVLVJAKTYQBCMT-QWRGUYRKSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309694355 528972393 /nfs/dbraw/zinc/97/23/93/528972393.db2.gz QVLVJAKTYQBCMT-WDEREUQCSA-N 1 0 233.346 3.835 20 0 BHADRO CCCC1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000309695056 326164833 /nfs/dbraw/zinc/16/48/33/326164833.db2.gz KWNDKIBLBWAFJP-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)c(C)o1 ZINC000309696321 633229465 /nfs/dbraw/zinc/22/94/65/633229465.db2.gz LCSCWQXMIRUAJT-CYBMUJFWSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC(C)(C)C2)c(C)o1 ZINC000309696326 633990484 /nfs/dbraw/zinc/99/04/84/633990484.db2.gz LCSCWQXMIRUAJT-ZDUSSCGKSA-N 1 0 221.344 3.565 20 0 BHADRO CSCCCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000309696367 229461562 /nfs/dbraw/zinc/46/15/62/229461562.db2.gz LDZZAFNZXXHMSW-KBPBESRZSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000309696368 388461439 /nfs/dbraw/zinc/46/14/39/388461439.db2.gz LDZZAFNZXXHMSW-KGLIPLIRSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000309696369 388461607 /nfs/dbraw/zinc/46/16/07/388461607.db2.gz LDZZAFNZXXHMSW-UONOGXRCSA-N 1 0 243.460 3.936 20 0 BHADRO CSCCCCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000309696370 229461289 /nfs/dbraw/zinc/46/12/89/229461289.db2.gz LDZZAFNZXXHMSW-ZIAGYGMSSA-N 1 0 243.460 3.936 20 0 BHADRO CC(C)([NH2+]CCCC1CCCCC1)C(F)F ZINC000309696436 491154667 /nfs/dbraw/zinc/15/46/67/491154667.db2.gz RMHCMIPDFLBJSG-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CS1 ZINC000309696449 384199179 /nfs/dbraw/zinc/19/91/79/384199179.db2.gz RMVHGRUZDFLGPS-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CS1 ZINC000309696450 384200129 /nfs/dbraw/zinc/20/01/29/384200129.db2.gz RMVHGRUZDFLGPS-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)CS1 ZINC000309696451 527884459 /nfs/dbraw/zinc/88/44/59/527884459.db2.gz RMVHGRUZDFLGPS-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)CS1 ZINC000309696452 384201611 /nfs/dbraw/zinc/20/16/11/384201611.db2.gz RMVHGRUZDFLGPS-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000309696647 491154634 /nfs/dbraw/zinc/15/46/34/491154634.db2.gz LERCROPSPWMTKE-NXEZZACHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000309696648 491154638 /nfs/dbraw/zinc/15/46/38/491154638.db2.gz LERCROPSPWMTKE-UWVGGRQHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000309696650 491154672 /nfs/dbraw/zinc/15/46/72/491154672.db2.gz LERCROPSPWMTKE-VHSXEESVSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000309696652 491154680 /nfs/dbraw/zinc/15/46/80/491154680.db2.gz LERCROPSPWMTKE-ZJUUUORDSA-N 1 0 239.384 3.596 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000309697858 388461377 /nfs/dbraw/zinc/46/13/77/388461377.db2.gz RWIHEWBQVIYHDU-HZSPNIEDSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000309697859 388461400 /nfs/dbraw/zinc/46/14/00/388461400.db2.gz RWIHEWBQVIYHDU-MCIONIFRSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000309697860 388461156 /nfs/dbraw/zinc/46/11/56/388461156.db2.gz RWIHEWBQVIYHDU-MGPQQGTHSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000309697861 388461394 /nfs/dbraw/zinc/46/13/94/388461394.db2.gz RWIHEWBQVIYHDU-RDBSUJKOSA-N 1 0 229.383 3.787 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697938 388461427 /nfs/dbraw/zinc/46/14/27/388461427.db2.gz LPYQIYOZLFCUBF-BXKDBHETSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697939 388461550 /nfs/dbraw/zinc/46/15/50/388461550.db2.gz LPYQIYOZLFCUBF-CABZTGNLSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697941 388461122 /nfs/dbraw/zinc/46/11/22/388461122.db2.gz LPYQIYOZLFCUBF-JOYOIKCWSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697942 388461726 /nfs/dbraw/zinc/46/17/26/388461726.db2.gz LPYQIYOZLFCUBF-SKDRFNHKSA-N 1 0 240.416 3.927 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309698594 384203121 /nfs/dbraw/zinc/20/31/21/384203121.db2.gz LVZWXVOUQYBPRN-KBPBESRZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309698596 384201859 /nfs/dbraw/zinc/20/18/59/384201859.db2.gz LVZWXVOUQYBPRN-KGLIPLIRSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000309698599 229590822 /nfs/dbraw/zinc/59/08/22/229590822.db2.gz LVZWXVOUQYBPRN-UONOGXRCSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000309698601 384202076 /nfs/dbraw/zinc/20/20/76/384202076.db2.gz LVZWXVOUQYBPRN-ZIAGYGMSSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309699071 388461457 /nfs/dbraw/zinc/46/14/57/388461457.db2.gz LZMHYJYRNPUBLU-AEJSXWLSSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309699072 388461565 /nfs/dbraw/zinc/46/15/65/388461565.db2.gz LZMHYJYRNPUBLU-BBBLOLIVSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309699074 386310047 /nfs/dbraw/zinc/31/00/47/386310047.db2.gz LZMHYJYRNPUBLU-IVZWLZJFSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309699075 388461411 /nfs/dbraw/zinc/46/14/11/388461411.db2.gz LZMHYJYRNPUBLU-OPRDCNLKSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C([NH2+]Cc1cccnc1Cl)C(C)C ZINC000309700196 633229362 /nfs/dbraw/zinc/22/93/62/633229362.db2.gz SNQJWFTXRJAEQN-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccoc1 ZINC000309700414 326164198 /nfs/dbraw/zinc/16/41/98/326164198.db2.gz MKVHPQSUHRFOEW-PSASIEDQSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccoc1 ZINC000309700415 326164229 /nfs/dbraw/zinc/16/42/29/326164229.db2.gz MKVHPQSUHRFOEW-SCZZXKLOSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccoc1 ZINC000309700416 326164090 /nfs/dbraw/zinc/16/40/90/326164090.db2.gz MKVHPQSUHRFOEW-WCBMZHEXSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccoc1 ZINC000309700417 326164191 /nfs/dbraw/zinc/16/41/91/326164191.db2.gz MKVHPQSUHRFOEW-WPRPVWTQSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@H](C[NH2+]CCCCF)c1ccccc1 ZINC000309700484 388461355 /nfs/dbraw/zinc/46/13/55/388461355.db2.gz MMKHJROTTQPOBY-CYBMUJFWSA-N 1 0 223.335 3.520 20 0 BHADRO CC[C@@H](C[NH2+]CCCCF)c1ccccc1 ZINC000309700489 529489732 /nfs/dbraw/zinc/48/97/32/529489732.db2.gz MMKHJROTTQPOBY-ZDUSSCGKSA-N 1 0 223.335 3.520 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309700722 526673001 /nfs/dbraw/zinc/67/30/01/526673001.db2.gz SRSNGIJSQFJYKH-CHWSQXEVSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309700723 388461362 /nfs/dbraw/zinc/46/13/62/388461362.db2.gz SRSNGIJSQFJYKH-OLZOCXBDSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309700725 388461274 /nfs/dbraw/zinc/46/12/74/388461274.db2.gz SRSNGIJSQFJYKH-QWHCGFSZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309700726 388461637 /nfs/dbraw/zinc/46/16/37/388461637.db2.gz SRSNGIJSQFJYKH-STQMWFEESA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000309701907 529327261 /nfs/dbraw/zinc/32/72/61/529327261.db2.gz MZTNTZFAVAONOV-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000309701909 384214461 /nfs/dbraw/zinc/21/44/61/384214461.db2.gz MZTNTZFAVAONOV-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000309701910 384212909 /nfs/dbraw/zinc/21/29/09/384212909.db2.gz MZTNTZFAVAONOV-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000309701911 384214724 /nfs/dbraw/zinc/21/47/24/384214724.db2.gz MZTNTZFAVAONOV-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC2(C)C)CS1 ZINC000309702363 384212866 /nfs/dbraw/zinc/21/28/66/384212866.db2.gz UCNDMQXFMWNCAC-SRVKXCTJSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC2(C)C)CS1 ZINC000309702364 384214536 /nfs/dbraw/zinc/21/45/36/384214536.db2.gz UCNDMQXFMWNCAC-TUAOUCFPSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)CS1 ZINC000309702365 384214591 /nfs/dbraw/zinc/21/45/91/384214591.db2.gz UCNDMQXFMWNCAC-UTUOFQBUSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(C)C)CS1 ZINC000309702366 384213481 /nfs/dbraw/zinc/21/34/81/384213481.db2.gz UCNDMQXFMWNCAC-WOPDTQHZSA-N 1 0 241.444 3.542 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(SC)CC1 ZINC000309702587 388461285 /nfs/dbraw/zinc/46/12/85/388461285.db2.gz NGXHPVQHUUGMSR-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(SC)CC1 ZINC000309702588 388461472 /nfs/dbraw/zinc/46/14/72/388461472.db2.gz NGXHPVQHUUGMSR-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(SC)CC1 ZINC000309702589 388461183 /nfs/dbraw/zinc/46/11/83/388461183.db2.gz NGXHPVQHUUGMSR-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(SC)CC1 ZINC000309702590 529340117 /nfs/dbraw/zinc/34/01/17/529340117.db2.gz NGXHPVQHUUGMSR-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)C)ccc1F ZINC000309703066 229592778 /nfs/dbraw/zinc/59/27/78/229592778.db2.gz UJHNYMAMBZEBQE-GFCCVEGCSA-N 1 0 223.335 3.831 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)C)ccc1F ZINC000309703067 384213946 /nfs/dbraw/zinc/21/39/46/384213946.db2.gz UJHNYMAMBZEBQE-LBPRGKRZSA-N 1 0 223.335 3.831 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000309703083 384213172 /nfs/dbraw/zinc/21/31/72/384213172.db2.gz NJWMQDKKNILLEB-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000309703084 384215053 /nfs/dbraw/zinc/21/50/53/384215053.db2.gz NJWMQDKKNILLEB-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000309703085 528905236 /nfs/dbraw/zinc/90/52/36/528905236.db2.gz NJWMQDKKNILLEB-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000309703086 528901742 /nfs/dbraw/zinc/90/17/42/528901742.db2.gz NJWMQDKKNILLEB-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000309704753 388462458 /nfs/dbraw/zinc/46/24/58/388462458.db2.gz OAYPBUOTEQLSBU-AWEZNQCLSA-N 1 0 217.356 3.712 20 0 BHADRO CCC[C@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000309704754 388462024 /nfs/dbraw/zinc/46/20/24/388462024.db2.gz OAYPBUOTEQLSBU-CQSZACIVSA-N 1 0 217.356 3.712 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cscn1)C1CCC1 ZINC000309704763 388461948 /nfs/dbraw/zinc/46/19/48/388461948.db2.gz OBTNQRPWUMGLCH-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cscn1)C1CCC1 ZINC000309704764 388462373 /nfs/dbraw/zinc/46/23/73/388462373.db2.gz OBTNQRPWUMGLCH-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)CF)c1ccccc1 ZINC000309704773 388462563 /nfs/dbraw/zinc/46/25/63/388462563.db2.gz OCELRHKUPLVOJW-GXTWGEPZSA-N 1 0 223.335 3.518 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)CF)c1ccccc1 ZINC000309704774 388462225 /nfs/dbraw/zinc/46/22/25/388462225.db2.gz OCELRHKUPLVOJW-JSGCOSHPSA-N 1 0 223.335 3.518 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)CF)c1ccccc1 ZINC000309704775 384214213 /nfs/dbraw/zinc/21/42/13/384214213.db2.gz OCELRHKUPLVOJW-OCCSQVGLSA-N 1 0 223.335 3.518 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)CF)c1ccccc1 ZINC000309704776 384212920 /nfs/dbraw/zinc/21/29/20/384212920.db2.gz OCELRHKUPLVOJW-TZMCWYRMSA-N 1 0 223.335 3.518 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCSC1)C1=CCCCC1 ZINC000309705366 527179042 /nfs/dbraw/zinc/17/90/42/527179042.db2.gz VAKHMFLTLPCBGJ-CYBMUJFWSA-N 1 0 239.428 3.608 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCSC1)C1=CCCCC1 ZINC000309705368 527179960 /nfs/dbraw/zinc/17/99/60/527179960.db2.gz VAKHMFLTLPCBGJ-ZDUSSCGKSA-N 1 0 239.428 3.608 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309705452 384542439 /nfs/dbraw/zinc/54/24/39/384542439.db2.gz VCZOWFKTFVKJPK-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000309705456 166786012 /nfs/dbraw/zinc/78/60/12/166786012.db2.gz VCZOWFKTFVKJPK-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000309705711 388462212 /nfs/dbraw/zinc/46/22/12/388462212.db2.gz OJYJFAVWRYKFIK-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000309705712 388462149 /nfs/dbraw/zinc/46/21/49/388462149.db2.gz OJYJFAVWRYKFIK-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000309705713 388462071 /nfs/dbraw/zinc/46/20/71/388462071.db2.gz OJYJFAVWRYKFIK-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000309705714 388462352 /nfs/dbraw/zinc/46/23/52/388462352.db2.gz OJYJFAVWRYKFIK-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C2CC2)ccc1Cl ZINC000309706487 326164394 /nfs/dbraw/zinc/16/43/94/326164394.db2.gz OQZBQJIBUILHBA-UHFFFAOYSA-N 1 0 237.774 3.927 20 0 BHADRO CC(C)[C@@H]([NH2+]CCF)c1ccc(Cl)cc1F ZINC000309707054 384213993 /nfs/dbraw/zinc/21/39/93/384213993.db2.gz VSVAPWTZARPJQW-GFCCVEGCSA-N 1 0 247.716 3.735 20 0 BHADRO CC(C)[C@H]([NH2+]CCF)c1ccc(Cl)cc1F ZINC000309707055 384215277 /nfs/dbraw/zinc/21/52/77/384215277.db2.gz VSVAPWTZARPJQW-LBPRGKRZSA-N 1 0 247.716 3.735 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc2c(s1)CCCC2 ZINC000309707522 259377269 /nfs/dbraw/zinc/37/72/69/259377269.db2.gz VWZTUKZCHMKXOF-UHFFFAOYSA-N 1 0 237.412 3.763 20 0 BHADRO Cc1c[nH+]ccc1N[C@@H]1CC12CCCCC2 ZINC000309707675 384549102 /nfs/dbraw/zinc/54/91/02/384549102.db2.gz PHLFHHLLBLESRU-CYBMUJFWSA-N 1 0 216.328 3.525 20 0 BHADRO Cc1c[nH+]ccc1N[C@H]1CC12CCCCC2 ZINC000309707676 384551156 /nfs/dbraw/zinc/55/11/56/384551156.db2.gz PHLFHHLLBLESRU-ZDUSSCGKSA-N 1 0 216.328 3.525 20 0 BHADRO Cc1ccsc1CC[NH2+]C1CC(C(C)C)C1 ZINC000309708298 388462094 /nfs/dbraw/zinc/46/20/94/388462094.db2.gz WDUVMOVSGBQKAI-UHFFFAOYSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCC1)CCC2 ZINC000309709154 384552358 /nfs/dbraw/zinc/55/23/58/384552358.db2.gz PWKYPJNEWCXWLO-OAHLLOKOSA-N 1 0 215.340 3.515 20 0 BHADRO CC(C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000309709170 491155421 /nfs/dbraw/zinc/15/54/21/491155421.db2.gz WMMWMETVFGOKHJ-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000309709180 342794898 /nfs/dbraw/zinc/79/48/98/342794898.db2.gz WMRQEZXVRGPIJM-CYBMUJFWSA-N 1 0 219.372 3.814 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@H](C)c1ccccc1 ZINC000309709181 342794931 /nfs/dbraw/zinc/79/49/31/342794931.db2.gz WMRQEZXVRGPIJM-ZDUSSCGKSA-N 1 0 219.372 3.814 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccn1 ZINC000309709356 491155502 /nfs/dbraw/zinc/15/55/02/491155502.db2.gz PYCPEFVBMAMTEY-GXTWGEPZSA-N 1 0 220.360 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccn1 ZINC000309709357 491155503 /nfs/dbraw/zinc/15/55/03/491155503.db2.gz PYCPEFVBMAMTEY-JSGCOSHPSA-N 1 0 220.360 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C(C)C)c1ccccn1 ZINC000309709358 491155531 /nfs/dbraw/zinc/15/55/31/491155531.db2.gz PYCPEFVBMAMTEY-OCCSQVGLSA-N 1 0 220.360 3.557 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccn1 ZINC000309709359 491155495 /nfs/dbraw/zinc/15/54/95/491155495.db2.gz PYCPEFVBMAMTEY-TZMCWYRMSA-N 1 0 220.360 3.557 20 0 BHADRO Cc1cnc(C(C)(C)[NH2+]CCCC(C)C)s1 ZINC000309709570 384552896 /nfs/dbraw/zinc/55/28/96/384552896.db2.gz WPDBWVQQUXPCAN-UHFFFAOYSA-N 1 0 240.416 3.712 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)CS1 ZINC000309709604 526680075 /nfs/dbraw/zinc/68/00/75/526680075.db2.gz WPRJGILFUVJWCX-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCC2(C)CC2)CS1 ZINC000309709608 388462105 /nfs/dbraw/zinc/46/21/05/388462105.db2.gz WPRJGILFUVJWCX-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)CS1 ZINC000309709611 526681394 /nfs/dbraw/zinc/68/13/94/526681394.db2.gz WPRJGILFUVJWCX-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)CS1 ZINC000309709615 526737064 /nfs/dbraw/zinc/73/70/64/526737064.db2.gz WPRJGILFUVJWCX-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000309709967 175567830 /nfs/dbraw/zinc/56/78/30/175567830.db2.gz QGYPWEWXIIXZAL-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000309709968 175548522 /nfs/dbraw/zinc/54/85/22/175548522.db2.gz QGYPWEWXIIXZAL-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000309709969 384552291 /nfs/dbraw/zinc/55/22/91/384552291.db2.gz QGYPWEWXIIXZAL-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000309709970 384552263 /nfs/dbraw/zinc/55/22/63/384552263.db2.gz QGYPWEWXIIXZAL-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO Cc1cscc1C[NH2+]C1CCC2(CC2)CC1 ZINC000309710417 384553025 /nfs/dbraw/zinc/55/30/25/384553025.db2.gz QKOXBOLAYISBNJ-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C(C)C)o1 ZINC000309710511 384750959 /nfs/dbraw/zinc/75/09/59/384750959.db2.gz WYLBQVRZAPYWBU-AAEUAGOBSA-N 1 0 223.360 3.543 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C(C)C)o1 ZINC000309710512 187291165 /nfs/dbraw/zinc/29/11/65/187291165.db2.gz WYLBQVRZAPYWBU-DGCLKSJQSA-N 1 0 223.360 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C(C)C)o1 ZINC000309710514 384752755 /nfs/dbraw/zinc/75/27/55/384752755.db2.gz WYLBQVRZAPYWBU-WCQYABFASA-N 1 0 223.360 3.543 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C(C)C)o1 ZINC000309710515 384553945 /nfs/dbraw/zinc/55/39/45/384553945.db2.gz WYLBQVRZAPYWBU-YPMHNXCESA-N 1 0 223.360 3.543 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309711460 529393547 /nfs/dbraw/zinc/39/35/47/529393547.db2.gz QUKKZCHFRCUSCZ-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309711461 529242044 /nfs/dbraw/zinc/24/20/44/529242044.db2.gz QUKKZCHFRCUSCZ-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309711462 388462077 /nfs/dbraw/zinc/46/20/77/388462077.db2.gz QUKKZCHFRCUSCZ-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000309711463 388461997 /nfs/dbraw/zinc/46/19/97/388461997.db2.gz QUKKZCHFRCUSCZ-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1SC ZINC000309711781 528869442 /nfs/dbraw/zinc/86/94/42/528869442.db2.gz QWEXHHSVYUZUCZ-RFGFWPKPSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1SC ZINC000309711783 388462493 /nfs/dbraw/zinc/46/24/93/388462493.db2.gz QWEXHHSVYUZUCZ-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1SC ZINC000309711784 388462232 /nfs/dbraw/zinc/46/22/32/388462232.db2.gz QWEXHHSVYUZUCZ-XJFOESAGSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1SC ZINC000309711785 388462053 /nfs/dbraw/zinc/46/20/53/388462053.db2.gz QWEXHHSVYUZUCZ-ZOBORPQBSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000309712192 388461946 /nfs/dbraw/zinc/46/19/46/388461946.db2.gz RDADODCMJTWSEQ-RYPNDVFKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000309712194 388461909 /nfs/dbraw/zinc/46/19/09/388461909.db2.gz RDADODCMJTWSEQ-ZSAUSMIDSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCC12CCCC2 ZINC000309712274 632656388 /nfs/dbraw/zinc/65/63/88/632656388.db2.gz XMUNVVRHZMXUFT-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CCC12CCCC2 ZINC000309712275 633231063 /nfs/dbraw/zinc/23/10/63/633231063.db2.gz XMUNVVRHZMXUFT-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CCCc1csc(C[NH2+][C@H](CC)CCC)n1 ZINC000309712337 388462342 /nfs/dbraw/zinc/46/23/42/388462342.db2.gz REQKBEMBCMTGCG-LLVKDONJSA-N 1 0 240.416 3.764 20 0 BHADRO CCCc1csc(C[NH2+][C@@H](CC)CCC)n1 ZINC000309712338 388462485 /nfs/dbraw/zinc/46/24/85/388462485.db2.gz REQKBEMBCMTGCG-NSHDSACASA-N 1 0 240.416 3.764 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1cccs1 ZINC000309712623 388462470 /nfs/dbraw/zinc/46/24/70/388462470.db2.gz XOSWVUSTPHDMPI-CHWSQXEVSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cccs1 ZINC000309712624 526672943 /nfs/dbraw/zinc/67/29/43/526672943.db2.gz XOSWVUSTPHDMPI-OLZOCXBDSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1cccs1 ZINC000309712625 388462272 /nfs/dbraw/zinc/46/22/72/388462272.db2.gz XOSWVUSTPHDMPI-QWHCGFSZSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1cccs1 ZINC000309712626 388462499 /nfs/dbraw/zinc/46/24/99/388462499.db2.gz XOSWVUSTPHDMPI-STQMWFEESA-N 1 0 237.412 3.705 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CC2CCC2)c1 ZINC000309712709 534637169 /nfs/dbraw/zinc/63/71/69/534637169.db2.gz RHRHAGYXGPXOHV-UHFFFAOYSA-N 1 0 217.356 3.620 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc(CSC)c1 ZINC000309712744 528803566 /nfs/dbraw/zinc/80/35/66/528803566.db2.gz RJNJOADNEYNGJC-UHFFFAOYSA-N 1 0 237.412 3.828 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)C1CC1 ZINC000309713107 632656520 /nfs/dbraw/zinc/65/65/20/632656520.db2.gz RMRDTOVCICCVFM-BXKDBHETSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C1CC1 ZINC000309713108 632655474 /nfs/dbraw/zinc/65/54/74/632655474.db2.gz RMRDTOVCICCVFM-CABZTGNLSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C1CC1 ZINC000309713109 632655839 /nfs/dbraw/zinc/65/58/39/632655839.db2.gz RMRDTOVCICCVFM-JOYOIKCWSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccnc(Cl)c1)C1CC1 ZINC000309713110 632655898 /nfs/dbraw/zinc/65/58/98/632655898.db2.gz RMRDTOVCICCVFM-SKDRFNHKSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309713394 384213761 /nfs/dbraw/zinc/21/37/61/384213761.db2.gz RSPIGTWTQLROLM-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309713396 529413437 /nfs/dbraw/zinc/41/34/37/529413437.db2.gz RSPIGTWTQLROLM-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309713399 529241890 /nfs/dbraw/zinc/24/18/90/529241890.db2.gz RSPIGTWTQLROLM-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309713402 384213325 /nfs/dbraw/zinc/21/33/25/384213325.db2.gz RSPIGTWTQLROLM-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC1(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CCC1 ZINC000309713785 384555974 /nfs/dbraw/zinc/55/59/74/384555974.db2.gz RWOSAFAMASFTKT-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@H]2CS[C@H](C(C)C)C2)CCC1 ZINC000309713787 384555923 /nfs/dbraw/zinc/55/59/23/384555923.db2.gz RWOSAFAMASFTKT-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CCC1 ZINC000309713790 384557622 /nfs/dbraw/zinc/55/76/22/384557622.db2.gz RWOSAFAMASFTKT-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CCC1 ZINC000309713792 168482467 /nfs/dbraw/zinc/48/24/67/168482467.db2.gz RWOSAFAMASFTKT-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309714322 229592750 /nfs/dbraw/zinc/59/27/50/229592750.db2.gz SCLMKLDJHQKOMR-JTQLQIEISA-N 1 0 245.338 3.724 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309714324 229592885 /nfs/dbraw/zinc/59/28/85/229592885.db2.gz SCLMKLDJHQKOMR-SNVBAGLBSA-N 1 0 245.338 3.724 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000309714795 388462107 /nfs/dbraw/zinc/46/21/07/388462107.db2.gz SHXUFPAGKAAZQZ-QJPTWQEYSA-N 1 0 224.348 3.540 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000309714796 388462378 /nfs/dbraw/zinc/46/23/78/388462378.db2.gz SHXUFPAGKAAZQZ-SDDRHHMPSA-N 1 0 224.348 3.540 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000309714797 388462466 /nfs/dbraw/zinc/46/24/66/388462466.db2.gz SHXUFPAGKAAZQZ-SRVKXCTJSA-N 1 0 224.348 3.540 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000309714798 388462522 /nfs/dbraw/zinc/46/25/22/388462522.db2.gz SHXUFPAGKAAZQZ-TUAOUCFPSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)C([NH2+]Cc1ccc(Cl)cn1)C(C)C ZINC000309715164 491058707 /nfs/dbraw/zinc/05/87/07/491058707.db2.gz YLYBVYULHDWCLW-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000309715288 384217042 /nfs/dbraw/zinc/21/70/42/384217042.db2.gz SOVSHLXEGOGVDW-NEPJUHHUSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000309715289 529257976 /nfs/dbraw/zinc/25/79/76/529257976.db2.gz SOVSHLXEGOGVDW-NWDGAFQWSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000309715290 384215822 /nfs/dbraw/zinc/21/58/22/384215822.db2.gz SOVSHLXEGOGVDW-RYUDHWBXSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000309715291 384218078 /nfs/dbraw/zinc/21/80/78/384218078.db2.gz SOVSHLXEGOGVDW-VXGBXAGGSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000309715722 491154891 /nfs/dbraw/zinc/15/48/91/491154891.db2.gz SUTYTZBWGBZROR-GMTAPVOTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1scnc1C1CC1 ZINC000309715852 347147370 /nfs/dbraw/zinc/14/73/70/347147370.db2.gz YUAYIGCDKMSFPA-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000309715863 388462542 /nfs/dbraw/zinc/46/25/42/388462542.db2.gz YUEZCEGYBSUMHX-UHFFFAOYSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000309715983 491154854 /nfs/dbraw/zinc/15/48/54/491154854.db2.gz SUTYTZBWGBZROR-MXWKQRLJSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000309715984 491154871 /nfs/dbraw/zinc/15/48/71/491154871.db2.gz SUTYTZBWGBZROR-OUAUKWLOSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000309715985 491154839 /nfs/dbraw/zinc/15/48/39/491154839.db2.gz SUTYTZBWGBZROR-VWYCJHECSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(C)C ZINC000309716175 491058799 /nfs/dbraw/zinc/05/87/99/491058799.db2.gz YXXNFDASPVFAHW-CHWSQXEVSA-N 1 0 243.460 3.787 20 0 BHADRO CC(C)C([NH2+][C@H]1CS[C@H](C(C)C)C1)C(C)C ZINC000309716176 491154835 /nfs/dbraw/zinc/15/48/35/491154835.db2.gz YXXNFDASPVFAHW-OLZOCXBDSA-N 1 0 243.460 3.787 20 0 BHADRO CC(C)C([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(C)C ZINC000309716177 491154894 /nfs/dbraw/zinc/15/48/94/491154894.db2.gz YXXNFDASPVFAHW-QWHCGFSZSA-N 1 0 243.460 3.787 20 0 BHADRO CC(C)C([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(C)C ZINC000309716178 491154872 /nfs/dbraw/zinc/15/48/72/491154872.db2.gz YXXNFDASPVFAHW-STQMWFEESA-N 1 0 243.460 3.787 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000309716187 384217095 /nfs/dbraw/zinc/21/70/95/384217095.db2.gz YYHLKFUGSJYDKQ-GFCCVEGCSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000309716188 384216268 /nfs/dbraw/zinc/21/62/68/384216268.db2.gz YYHLKFUGSJYDKQ-LBPRGKRZSA-N 1 0 231.330 3.589 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309716253 633995096 /nfs/dbraw/zinc/99/50/96/633995096.db2.gz TVACBFVVWSSBPG-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309716256 632656889 /nfs/dbraw/zinc/65/68/89/632656889.db2.gz TVACBFVVWSSBPG-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309716260 632657688 /nfs/dbraw/zinc/65/76/88/632657688.db2.gz TVACBFVVWSSBPG-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309716263 632657076 /nfs/dbraw/zinc/65/70/76/632657076.db2.gz TVACBFVVWSSBPG-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000309716271 384217974 /nfs/dbraw/zinc/21/79/74/384217974.db2.gz YZVJMWZHIGFCSO-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCC2 ZINC000309716571 384556702 /nfs/dbraw/zinc/55/67/02/384556702.db2.gz TXXKCKZANYUTNL-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCC2 ZINC000309716573 384557493 /nfs/dbraw/zinc/55/74/93/384557493.db2.gz TXXKCKZANYUTNL-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCC2 ZINC000309716574 384556119 /nfs/dbraw/zinc/55/61/19/384556119.db2.gz TXXKCKZANYUTNL-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCC2 ZINC000309716575 171423291 /nfs/dbraw/zinc/42/32/91/171423291.db2.gz TXXKCKZANYUTNL-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1(C(F)F)CC1)C1CC1 ZINC000309716746 384218134 /nfs/dbraw/zinc/21/81/34/384218134.db2.gz ZCLLGCQNQWFSHR-LLVKDONJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1(C(F)F)CC1)C1CC1 ZINC000309716750 384217453 /nfs/dbraw/zinc/21/74/53/384217453.db2.gz ZCLLGCQNQWFSHR-NSHDSACASA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cc(C[NH2+]CCC2(F)CCC2)c(C)s1 ZINC000309716880 347145139 /nfs/dbraw/zinc/14/51/39/347145139.db2.gz UBYLUENXDZSPOU-UHFFFAOYSA-N 1 0 241.375 3.737 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000309716974 632655835 /nfs/dbraw/zinc/65/58/35/632655835.db2.gz UGYFXBWFVHAXPC-NEPJUHHUSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000309716975 632655478 /nfs/dbraw/zinc/65/54/78/632655478.db2.gz UGYFXBWFVHAXPC-NWDGAFQWSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000309716976 711700474 /nfs/dbraw/zinc/70/04/74/711700474.db2.gz UGYFXBWFVHAXPC-RYUDHWBXSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000309716977 711700453 /nfs/dbraw/zinc/70/04/53/711700453.db2.gz UGYFXBWFVHAXPC-VXGBXAGGSA-N 1 0 223.335 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC23CCCC3)c(C)s1 ZINC000309717378 370247765 /nfs/dbraw/zinc/24/77/65/370247765.db2.gz UKBKTBWCMDEHHU-CYBMUJFWSA-N 1 0 235.396 3.787 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC23CCCC3)c(C)s1 ZINC000309717380 370248313 /nfs/dbraw/zinc/24/83/13/370248313.db2.gz UKBKTBWCMDEHHU-ZDUSSCGKSA-N 1 0 235.396 3.787 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000309717984 384217280 /nfs/dbraw/zinc/21/72/80/384217280.db2.gz ZMSAFWRQKRMBAK-NEPJUHHUSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000309717985 384217213 /nfs/dbraw/zinc/21/72/13/384217213.db2.gz ZMSAFWRQKRMBAK-NWDGAFQWSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000309717986 384215837 /nfs/dbraw/zinc/21/58/37/384215837.db2.gz ZMSAFWRQKRMBAK-RYUDHWBXSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000309717987 527705584 /nfs/dbraw/zinc/70/55/84/527705584.db2.gz ZMSAFWRQKRMBAK-VXGBXAGGSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000309718581 491154972 /nfs/dbraw/zinc/15/49/72/491154972.db2.gz ZUSACNKPCUYKPH-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000309718582 491154918 /nfs/dbraw/zinc/15/49/18/491154918.db2.gz ZUSACNKPCUYKPH-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000309718583 491154913 /nfs/dbraw/zinc/15/49/13/491154913.db2.gz ZUSACNKPCUYKPH-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000309718584 491154968 /nfs/dbraw/zinc/15/49/68/491154968.db2.gz ZUSACNKPCUYKPH-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1cc(C[NH2+]C23CCC(CC2)C3)c(C)s1 ZINC000309718635 633231285 /nfs/dbraw/zinc/23/12/85/633231285.db2.gz VAUCTHNXIKPMTL-UHFFFAOYSA-N 1 0 235.396 3.787 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000309720585 633998444 /nfs/dbraw/zinc/99/84/44/633998444.db2.gz VVZCDIAQXHOUAS-LLVKDONJSA-N 1 0 240.778 3.712 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000309720586 633997841 /nfs/dbraw/zinc/99/78/41/633997841.db2.gz VVZCDIAQXHOUAS-NSHDSACASA-N 1 0 240.778 3.712 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1nccs1 ZINC000309720951 488053074 /nfs/dbraw/zinc/05/30/74/488053074.db2.gz VYLIAJJTSHBXFA-GHMZBOCLSA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC12CCC2)c1nccs1 ZINC000309720952 488053119 /nfs/dbraw/zinc/05/31/19/488053119.db2.gz VYLIAJJTSHBXFA-MNOVXSKESA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC12CCC2)c1nccs1 ZINC000309720953 488053232 /nfs/dbraw/zinc/05/32/32/488053232.db2.gz VYLIAJJTSHBXFA-QWRGUYRKSA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC12CCC2)c1nccs1 ZINC000309720954 488053104 /nfs/dbraw/zinc/05/31/04/488053104.db2.gz VYLIAJJTSHBXFA-WDEREUQCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H](C[NH2+]CC1CCC1)c1cccc(Cl)c1 ZINC000309721169 384262129 /nfs/dbraw/zinc/26/21/29/384262129.db2.gz BWKMHJLPGFGHCZ-LLVKDONJSA-N 1 0 237.774 3.833 20 0 BHADRO C[C@@H](C[NH2+]CC1CCC1)c1cccc(Cl)c1 ZINC000309721170 384261380 /nfs/dbraw/zinc/26/13/80/384261380.db2.gz BWKMHJLPGFGHCZ-NSHDSACASA-N 1 0 237.774 3.833 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309721410 388462008 /nfs/dbraw/zinc/46/20/08/388462008.db2.gz WCQBXJFHYFLQMO-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309721412 388462262 /nfs/dbraw/zinc/46/22/62/388462262.db2.gz WCQBXJFHYFLQMO-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309721418 529290458 /nfs/dbraw/zinc/29/04/58/529290458.db2.gz WCQBXJFHYFLQMO-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309721422 529282895 /nfs/dbraw/zinc/28/28/95/529282895.db2.gz WCQBXJFHYFLQMO-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(CSC)cc1 ZINC000309721517 528803788 /nfs/dbraw/zinc/80/37/88/528803788.db2.gz WDYGQFWCXJFVAB-UHFFFAOYSA-N 1 0 237.412 3.828 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309721821 384261568 /nfs/dbraw/zinc/26/15/68/384261568.db2.gz CASLJBLLDMHSQV-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309721822 384566653 /nfs/dbraw/zinc/56/66/53/384566653.db2.gz CASLJBLLDMHSQV-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309721825 384261452 /nfs/dbraw/zinc/26/14/52/384261452.db2.gz CASLJBLLDMHSQV-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309721829 384259538 /nfs/dbraw/zinc/25/95/38/384259538.db2.gz CASLJBLLDMHSQV-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000309722164 384262540 /nfs/dbraw/zinc/26/25/40/384262540.db2.gz WIRJZDZVYQABIB-FKZOYECMSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000309722165 384262782 /nfs/dbraw/zinc/26/27/82/384262782.db2.gz WIRJZDZVYQABIB-GNRIBBGQSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000309722166 528080056 /nfs/dbraw/zinc/08/00/56/528080056.db2.gz WIRJZDZVYQABIB-HHTDUIENSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000309722167 384262185 /nfs/dbraw/zinc/26/21/85/384262185.db2.gz WIRJZDZVYQABIB-YIOUJQMASA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000309722576 388462173 /nfs/dbraw/zinc/46/21/73/388462173.db2.gz WMNFUUDQJBXQRU-CYBMUJFWSA-N 1 0 217.356 3.570 20 0 BHADRO CC[C@@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000309722577 529489859 /nfs/dbraw/zinc/48/98/59/529489859.db2.gz WMNFUUDQJBXQRU-ZDUSSCGKSA-N 1 0 217.356 3.570 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309722583 175475326 /nfs/dbraw/zinc/47/53/26/175475326.db2.gz WMUPPEXMMUTCIR-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309722584 384565597 /nfs/dbraw/zinc/56/55/97/384565597.db2.gz WMUPPEXMMUTCIR-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309722585 175473929 /nfs/dbraw/zinc/47/39/29/175473929.db2.gz WMUPPEXMMUTCIR-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309722586 384566534 /nfs/dbraw/zinc/56/65/34/384566534.db2.gz WMUPPEXMMUTCIR-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H](C[NH2+]CC=C(C)C)c1ccccc1 ZINC000309723009 529489779 /nfs/dbraw/zinc/48/97/79/529489779.db2.gz WTXKBIMSTOMRTK-AWEZNQCLSA-N 1 0 217.356 3.736 20 0 BHADRO CC[C@H](C[NH2+]CC=C(C)C)c1ccccc1 ZINC000309723010 388462110 /nfs/dbraw/zinc/46/21/10/388462110.db2.gz WTXKBIMSTOMRTK-CQSZACIVSA-N 1 0 217.356 3.736 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000309723696 633232069 /nfs/dbraw/zinc/23/20/69/633232069.db2.gz XAALYKSYJUWCKU-ZIAGYGMSSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCSC1)CC1CCCCC1 ZINC000309724342 388463308 /nfs/dbraw/zinc/46/33/08/388463308.db2.gz CRFJAMFRBBFZAD-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCSC1)CC1CCCCC1 ZINC000309724343 229464518 /nfs/dbraw/zinc/46/45/18/229464518.db2.gz CRFJAMFRBBFZAD-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCSC1)CC1CCCCC1 ZINC000309724344 388463083 /nfs/dbraw/zinc/46/30/83/388463083.db2.gz CRFJAMFRBBFZAD-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCSC1)CC1CCCCC1 ZINC000309724345 388463085 /nfs/dbraw/zinc/46/30/85/388463085.db2.gz CRFJAMFRBBFZAD-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)C)c1nc(C)cs1 ZINC000309725204 170893673 /nfs/dbraw/zinc/89/36/73/170893673.db2.gz XQNRQDSXMFKVSP-GFCCVEGCSA-N 1 0 240.416 3.928 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)C)c1nc(C)cs1 ZINC000309725205 384557283 /nfs/dbraw/zinc/55/72/83/384557283.db2.gz XQNRQDSXMFKVSP-LBPRGKRZSA-N 1 0 240.416 3.928 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000309725535 384559400 /nfs/dbraw/zinc/55/94/00/384559400.db2.gz XRSKEXJBWXSROM-BFHYXJOUSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000309725536 384558740 /nfs/dbraw/zinc/55/87/40/384558740.db2.gz XRSKEXJBWXSROM-IHRRRGAJSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000309725537 384559726 /nfs/dbraw/zinc/55/97/26/384559726.db2.gz XRSKEXJBWXSROM-MELADBBJSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000309725538 384776895 /nfs/dbraw/zinc/77/68/95/384776895.db2.gz XRSKEXJBWXSROM-MJBXVCDLSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000309725605 529183342 /nfs/dbraw/zinc/18/33/42/529183342.db2.gz XUQUIWPYHUMVBP-CYBMUJFWSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000309725752 388463134 /nfs/dbraw/zinc/46/31/34/388463134.db2.gz XUQUIWPYHUMVBP-ZDUSSCGKSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)ccc1Cl ZINC000309727268 178039654 /nfs/dbraw/zinc/03/96/54/178039654.db2.gz YKNQZXZHZGIUTC-NEPJUHHUSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)ccc1Cl ZINC000309727273 178035965 /nfs/dbraw/zinc/03/59/65/178035965.db2.gz YKNQZXZHZGIUTC-NWDGAFQWSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H](F)C2)ccc1Cl ZINC000309727280 178042176 /nfs/dbraw/zinc/04/21/76/178042176.db2.gz YKNQZXZHZGIUTC-RYUDHWBXSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)ccc1Cl ZINC000309727286 178034567 /nfs/dbraw/zinc/03/45/67/178034567.db2.gz YKNQZXZHZGIUTC-VXGBXAGGSA-N 1 0 241.737 3.629 20 0 BHADRO CC[C@H]([NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000309728118 384310353 /nfs/dbraw/zinc/31/03/53/384310353.db2.gz YRUAQWDQRAMAGO-AWEZNQCLSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]([NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000309728119 384311936 /nfs/dbraw/zinc/31/19/36/384311936.db2.gz YRUAQWDQRAMAGO-CQSZACIVSA-N 1 0 221.388 3.733 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000309728141 384559179 /nfs/dbraw/zinc/55/91/79/384559179.db2.gz YSVRWQWEHSJFGX-GXTWGEPZSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000309728142 384779386 /nfs/dbraw/zinc/77/93/86/384779386.db2.gz YSVRWQWEHSJFGX-JSGCOSHPSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000309728143 169510911 /nfs/dbraw/zinc/51/09/11/169510911.db2.gz YSVRWQWEHSJFGX-OCCSQVGLSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000309728144 384560624 /nfs/dbraw/zinc/56/06/24/384560624.db2.gz YSVRWQWEHSJFGX-TZMCWYRMSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000309728522 384310744 /nfs/dbraw/zinc/31/07/44/384310744.db2.gz YVMCUTFHCXWJNZ-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000309728523 384311674 /nfs/dbraw/zinc/31/16/74/384311674.db2.gz YVMCUTFHCXWJNZ-IHRRRGAJSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000309728524 384310560 /nfs/dbraw/zinc/31/05/60/384310560.db2.gz YVMCUTFHCXWJNZ-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000309728525 384311594 /nfs/dbraw/zinc/31/15/94/384311594.db2.gz YVMCUTFHCXWJNZ-MJBXVCDLSA-N 1 0 243.460 3.934 20 0 BHADRO CSCCCCC[NH2+]C1CCC2(CC2)CC1 ZINC000309728540 384560983 /nfs/dbraw/zinc/56/09/83/384560983.db2.gz YWBVSTQZZLYZCE-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000309729778 229464667 /nfs/dbraw/zinc/46/46/67/229464667.db2.gz FBHIGNGXNCWOQE-CHWSQXEVSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000309729780 533826034 /nfs/dbraw/zinc/82/60/34/533826034.db2.gz FBHIGNGXNCWOQE-OLZOCXBDSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000309729782 388462858 /nfs/dbraw/zinc/46/28/58/388462858.db2.gz FBHIGNGXNCWOQE-QWHCGFSZSA-N 1 0 217.356 3.916 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000309729783 388463136 /nfs/dbraw/zinc/46/31/36/388463136.db2.gz FBHIGNGXNCWOQE-STQMWFEESA-N 1 0 217.356 3.916 20 0 BHADRO CCCCCC[NH2+]Cc1scnc1C1CC1 ZINC000309730213 632661451 /nfs/dbraw/zinc/66/14/51/632661451.db2.gz ZOMFBCYILLYGHY-UHFFFAOYSA-N 1 0 238.400 3.690 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000309730257 388463427 /nfs/dbraw/zinc/46/34/27/388463427.db2.gz ZPQHEBVJWDIQGA-CRWXNKLISA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000309730259 388463080 /nfs/dbraw/zinc/46/30/80/388463080.db2.gz ZPQHEBVJWDIQGA-DGAVXFQQSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000309730260 388462872 /nfs/dbraw/zinc/46/28/72/388462872.db2.gz ZPQHEBVJWDIQGA-REWJHTLYSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000309730261 388463244 /nfs/dbraw/zinc/46/32/44/388463244.db2.gz ZPQHEBVJWDIQGA-RFQIPJPRSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309731359 384781949 /nfs/dbraw/zinc/78/19/49/384781949.db2.gz FGARAYABFHQLIJ-BBBLOLIVSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309731360 176618148 /nfs/dbraw/zinc/61/81/48/176618148.db2.gz FGARAYABFHQLIJ-KXUCPTDWSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309731361 384570234 /nfs/dbraw/zinc/57/02/34/384570234.db2.gz FGARAYABFHQLIJ-OPRDCNLKSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@H](F)C1 ZINC000309731362 384782762 /nfs/dbraw/zinc/78/27/62/384782762.db2.gz FGARAYABFHQLIJ-UTLUCORTSA-N 1 0 241.272 3.588 20 0 BHADRO C/C=C\C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000309731692 491155222 /nfs/dbraw/zinc/15/52/22/491155222.db2.gz BHLCJJPNPXJEPE-CFHLNLSMSA-N 1 0 217.356 3.518 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000309731694 491155219 /nfs/dbraw/zinc/15/52/19/491155219.db2.gz BHLCJJPNPXJEPE-GFUIURDCSA-N 1 0 217.356 3.518 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000309731695 491155242 /nfs/dbraw/zinc/15/52/42/491155242.db2.gz BHLCJJPNPXJEPE-SZZPACECSA-N 1 0 217.356 3.518 20 0 BHADRO C/C=C/C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000309731697 491155218 /nfs/dbraw/zinc/15/52/18/491155218.db2.gz BHLCJJPNPXJEPE-URWSZGRFSA-N 1 0 217.356 3.518 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC000309731842 528109515 /nfs/dbraw/zinc/10/95/15/528109515.db2.gz FLLLGTGPEAVWLS-GUTXKFCHSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)CC1CC1 ZINC000309731843 388463274 /nfs/dbraw/zinc/46/32/74/388463274.db2.gz FLLLGTGPEAVWLS-GZBFAFLISA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000309731844 388463078 /nfs/dbraw/zinc/46/30/78/388463078.db2.gz FLLLGTGPEAVWLS-KCQAQPDRSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000309731845 388462933 /nfs/dbraw/zinc/46/29/33/388462933.db2.gz FLLLGTGPEAVWLS-YDHLFZDLSA-N 1 0 221.388 3.757 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000309732135 411219220 /nfs/dbraw/zinc/21/92/20/411219220.db2.gz BJHDGKKBZADEKO-ABCZVMIZSA-N 1 0 215.340 3.612 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000309732137 411219499 /nfs/dbraw/zinc/21/94/99/411219499.db2.gz BJHDGKKBZADEKO-BWPKMQGJSA-N 1 0 215.340 3.612 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000309732139 411219431 /nfs/dbraw/zinc/21/94/31/411219431.db2.gz BJHDGKKBZADEKO-JZIMQPMSSA-N 1 0 215.340 3.612 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000309732142 411219544 /nfs/dbraw/zinc/21/95/44/411219544.db2.gz BJHDGKKBZADEKO-NHZBNJEXSA-N 1 0 215.340 3.612 20 0 BHADRO Cc1ccsc1CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000309732301 487479378 /nfs/dbraw/zinc/47/93/78/487479378.db2.gz FMQWHZLKILLNLS-GFCCVEGCSA-N 1 0 239.428 3.871 20 0 BHADRO Cc1ccsc1CC[NH2+]C[C@H](C)C(C)(C)C ZINC000309732302 487479571 /nfs/dbraw/zinc/47/95/71/487479571.db2.gz FMQWHZLKILLNLS-LBPRGKRZSA-N 1 0 239.428 3.871 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309732733 388463401 /nfs/dbraw/zinc/46/34/01/388463401.db2.gz BNAHSXCAZPFMRX-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309732734 388463038 /nfs/dbraw/zinc/46/30/38/388463038.db2.gz BNAHSXCAZPFMRX-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309732735 533619163 /nfs/dbraw/zinc/61/91/63/533619163.db2.gz BNAHSXCAZPFMRX-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309732736 388463120 /nfs/dbraw/zinc/46/31/20/388463120.db2.gz BNAHSXCAZPFMRX-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309732813 533618073 /nfs/dbraw/zinc/61/80/73/533618073.db2.gz BONAIDMQNLNTFY-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309732817 388463150 /nfs/dbraw/zinc/46/31/50/388463150.db2.gz BONAIDMQNLNTFY-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000309732822 388462896 /nfs/dbraw/zinc/46/28/96/388462896.db2.gz BONAIDMQNLNTFY-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000309732831 388463030 /nfs/dbraw/zinc/46/30/30/388463030.db2.gz BONAIDMQNLNTFY-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309733341 388463431 /nfs/dbraw/zinc/46/34/31/388463431.db2.gz BQNNQDUGVJMRLB-ICCXJUOJSA-N 1 0 241.737 3.596 20 0 BHADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309733343 388462879 /nfs/dbraw/zinc/46/28/79/388462879.db2.gz BQNNQDUGVJMRLB-JIMOISOXSA-N 1 0 241.737 3.596 20 0 BHADRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309733345 388463260 /nfs/dbraw/zinc/46/32/60/388463260.db2.gz BQNNQDUGVJMRLB-OASPWFOLSA-N 1 0 241.737 3.596 20 0 BHADRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000309733347 388463162 /nfs/dbraw/zinc/46/31/62/388463162.db2.gz BQNNQDUGVJMRLB-WQAKAFBOSA-N 1 0 241.737 3.596 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000309736209 168020493 /nfs/dbraw/zinc/02/04/93/168020493.db2.gz CJSZGQWUMGGYSN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)cnc1Cl ZINC000309736248 632662492 /nfs/dbraw/zinc/66/24/92/632662492.db2.gz CKONBAGBOQYVKG-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000309736258 370252242 /nfs/dbraw/zinc/25/22/42/370252242.db2.gz CLHDDONDXZICND-CYBMUJFWSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000309736259 370252332 /nfs/dbraw/zinc/25/23/32/370252332.db2.gz CLHDDONDXZICND-ZDUSSCGKSA-N 1 0 235.396 3.687 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CCC2)c2ccccc21 ZINC000309737530 527741842 /nfs/dbraw/zinc/74/18/42/527741842.db2.gz CQIGBFOUNMDZOS-AWEZNQCLSA-N 1 0 215.340 3.551 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CCC2)c2ccccc21 ZINC000309737531 388463016 /nfs/dbraw/zinc/46/30/16/388463016.db2.gz CQIGBFOUNMDZOS-CQSZACIVSA-N 1 0 215.340 3.551 20 0 BHADRO C[C@H]1CSC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000309738642 388463270 /nfs/dbraw/zinc/46/32/70/388463270.db2.gz CWOZFDHRGOUIOV-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CSC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000309738644 388463071 /nfs/dbraw/zinc/46/30/71/388463071.db2.gz CWOZFDHRGOUIOV-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000309738646 388462868 /nfs/dbraw/zinc/46/28/68/388462868.db2.gz CWOZFDHRGOUIOV-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000309738647 388463337 /nfs/dbraw/zinc/46/33/37/388463337.db2.gz CWOZFDHRGOUIOV-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000309738703 491155331 /nfs/dbraw/zinc/15/53/31/491155331.db2.gz CXSOXTWOTJEZFG-LLVKDONJSA-N 1 0 240.416 3.928 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000309738704 491155317 /nfs/dbraw/zinc/15/53/17/491155317.db2.gz CXSOXTWOTJEZFG-NSHDSACASA-N 1 0 240.416 3.928 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000309739171 533973444 /nfs/dbraw/zinc/97/34/44/533973444.db2.gz CYYBZWKTEJABAV-OBJOEFQTSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CC1(C)C ZINC000309739172 388462927 /nfs/dbraw/zinc/46/29/27/388462927.db2.gz CYYBZWKTEJABAV-OUCADQQQSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CC1(C)C ZINC000309739173 388463438 /nfs/dbraw/zinc/46/34/38/388463438.db2.gz CYYBZWKTEJABAV-SCRDCRAPSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000309739174 388463343 /nfs/dbraw/zinc/46/33/43/388463343.db2.gz CYYBZWKTEJABAV-SGMGOOAPSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000309739198 388463215 /nfs/dbraw/zinc/46/32/15/388463215.db2.gz CZSGPNPRBBBODL-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000309739199 229465627 /nfs/dbraw/zinc/46/56/27/229465627.db2.gz CZSGPNPRBBBODL-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000309739200 388462924 /nfs/dbraw/zinc/46/29/24/388462924.db2.gz CZSGPNPRBBBODL-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000309739201 388463445 /nfs/dbraw/zinc/46/34/45/388463445.db2.gz CZSGPNPRBBBODL-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309741171 229465682 /nfs/dbraw/zinc/46/56/82/229465682.db2.gz DISYYMHIAQTHDA-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309741172 388463317 /nfs/dbraw/zinc/46/33/17/388463317.db2.gz DISYYMHIAQTHDA-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309741173 388462992 /nfs/dbraw/zinc/46/29/92/388462992.db2.gz DISYYMHIAQTHDA-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309741174 388463257 /nfs/dbraw/zinc/46/32/57/388463257.db2.gz DISYYMHIAQTHDA-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000309741544 388462862 /nfs/dbraw/zinc/46/28/62/388462862.db2.gz HUSHFIQFDHYNLC-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCC12CCCC2 ZINC000309741545 388463454 /nfs/dbraw/zinc/46/34/54/388463454.db2.gz HUSHFIQFDHYNLC-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCC12CCCC2 ZINC000309741546 388463191 /nfs/dbraw/zinc/46/31/91/388463191.db2.gz HUSHFIQFDHYNLC-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000309741547 388463408 /nfs/dbraw/zinc/46/34/08/388463408.db2.gz HUSHFIQFDHYNLC-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309743161 491155754 /nfs/dbraw/zinc/15/57/54/491155754.db2.gz IHPCFMIRRZQZIJ-NEPJUHHUSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309743162 491155805 /nfs/dbraw/zinc/15/58/05/491155805.db2.gz IHPCFMIRRZQZIJ-NWDGAFQWSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309743163 491155784 /nfs/dbraw/zinc/15/57/84/491155784.db2.gz IHPCFMIRRZQZIJ-RYUDHWBXSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309743164 491155807 /nfs/dbraw/zinc/15/58/07/491155807.db2.gz IHPCFMIRRZQZIJ-VXGBXAGGSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCSC1 ZINC000309743629 527421321 /nfs/dbraw/zinc/42/13/21/527421321.db2.gz IMVUOCULVIQKGR-KBPBESRZSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCSC1 ZINC000309743630 527409259 /nfs/dbraw/zinc/40/92/59/527409259.db2.gz IMVUOCULVIQKGR-KGLIPLIRSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCSC1 ZINC000309743631 388463346 /nfs/dbraw/zinc/46/33/46/388463346.db2.gz IMVUOCULVIQKGR-UONOGXRCSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCSC1 ZINC000309743632 388463475 /nfs/dbraw/zinc/46/34/75/388463475.db2.gz IMVUOCULVIQKGR-ZIAGYGMSSA-N 1 0 241.444 3.854 20 0 BHADRO CC1CCC([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000309743736 487541057 /nfs/dbraw/zinc/54/10/57/487541057.db2.gz DZRHDBFXNRFHDL-UHFFFAOYSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000309744040 633234938 /nfs/dbraw/zinc/23/49/38/633234938.db2.gz IOQMQWDSNDNHBC-NEPJUHHUSA-N 1 0 243.460 3.790 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCSCC1)C(C)(C)C ZINC000309744041 633235301 /nfs/dbraw/zinc/23/53/01/633235301.db2.gz IOQMQWDSNDNHBC-NWDGAFQWSA-N 1 0 243.460 3.790 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000309744042 633235642 /nfs/dbraw/zinc/23/56/42/633235642.db2.gz IOQMQWDSNDNHBC-RYUDHWBXSA-N 1 0 243.460 3.790 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1CCSCC1 ZINC000309744043 633235230 /nfs/dbraw/zinc/23/52/30/633235230.db2.gz IOQMQWDSNDNHBC-VXGBXAGGSA-N 1 0 243.460 3.790 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000309744630 491155768 /nfs/dbraw/zinc/15/57/68/491155768.db2.gz FEHLAJGTGYMXKC-BYCRGOAPSA-N 1 0 215.296 3.660 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000309744631 491155822 /nfs/dbraw/zinc/15/58/22/491155822.db2.gz FEHLAJGTGYMXKC-DLRQAJBASA-N 1 0 215.296 3.660 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000309744632 491155877 /nfs/dbraw/zinc/15/58/77/491155877.db2.gz FEHLAJGTGYMXKC-PGLGOXFNSA-N 1 0 215.296 3.660 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000309744633 491155865 /nfs/dbraw/zinc/15/58/65/491155865.db2.gz FEHLAJGTGYMXKC-UFFNRZRYSA-N 1 0 215.296 3.660 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309744684 491155900 /nfs/dbraw/zinc/15/59/00/491155900.db2.gz FGUHMGPTPUROLM-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309744685 491155841 /nfs/dbraw/zinc/15/58/41/491155841.db2.gz FGUHMGPTPUROLM-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309744686 491155869 /nfs/dbraw/zinc/15/58/69/491155869.db2.gz FGUHMGPTPUROLM-OUAUKWLOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309744687 491155860 /nfs/dbraw/zinc/15/58/60/491155860.db2.gz FGUHMGPTPUROLM-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000309745662 634000044 /nfs/dbraw/zinc/00/00/44/634000044.db2.gz FMOCSKIFPPNPJK-GWCFXTLKSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000309745665 633235565 /nfs/dbraw/zinc/23/55/65/633235565.db2.gz FMOCSKIFPPNPJK-GXFFZTMASA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000309745668 634000052 /nfs/dbraw/zinc/00/00/52/634000052.db2.gz FMOCSKIFPPNPJK-MFKMUULPSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000309745670 632664344 /nfs/dbraw/zinc/66/43/44/632664344.db2.gz FMOCSKIFPPNPJK-ZWNOBZJWSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309745688 384360661 /nfs/dbraw/zinc/36/06/61/384360661.db2.gz IZXYVGXMGAWICN-KGYLQXTDSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309745689 384361898 /nfs/dbraw/zinc/36/18/98/384361898.db2.gz IZXYVGXMGAWICN-RAIGVLPGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309745690 384361574 /nfs/dbraw/zinc/36/15/74/384361574.db2.gz IZXYVGXMGAWICN-RTXFEEFZSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309745691 322911211 /nfs/dbraw/zinc/91/12/11/322911211.db2.gz IZXYVGXMGAWICN-WXHSDQCUSA-N 1 0 241.444 3.685 20 0 BHADRO CCC(C)(C)[NH2+]CCc1ccc(F)cc1Cl ZINC000309745901 386319637 /nfs/dbraw/zinc/31/96/37/386319637.db2.gz FNLRCXMJDYBJJV-UHFFFAOYSA-N 1 0 243.753 3.800 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309745906 388463423 /nfs/dbraw/zinc/46/34/23/388463423.db2.gz FNPQORLOIAYOOV-NGFQHRJXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309745907 388463467 /nfs/dbraw/zinc/46/34/67/388463467.db2.gz FNPQORLOIAYOOV-NMFUWQPSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309745908 388463394 /nfs/dbraw/zinc/46/33/94/388463394.db2.gz FNPQORLOIAYOOV-REBRKWNGSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309745909 388463153 /nfs/dbraw/zinc/46/31/53/388463153.db2.gz FNPQORLOIAYOOV-RZFFKMDDSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309746736 347153750 /nfs/dbraw/zinc/15/37/50/347153750.db2.gz FTOUXOUUDJNKFW-CHWSQXEVSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309746737 347153327 /nfs/dbraw/zinc/15/33/27/347153327.db2.gz FTOUXOUUDJNKFW-OLZOCXBDSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309746738 167911927 /nfs/dbraw/zinc/91/19/27/167911927.db2.gz FTOUXOUUDJNKFW-QWHCGFSZSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309746739 347153374 /nfs/dbraw/zinc/15/33/74/347153374.db2.gz FTOUXOUUDJNKFW-STQMWFEESA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H](C[NH2+]CCCc1cccs1)C(C)(C)C ZINC000309748192 487540418 /nfs/dbraw/zinc/54/04/18/487540418.db2.gz JSTVLMKXISMWQG-GFCCVEGCSA-N 1 0 239.428 3.953 20 0 BHADRO C[C@@H](C[NH2+]CCCc1cccs1)C(C)(C)C ZINC000309748195 487540391 /nfs/dbraw/zinc/54/03/91/487540391.db2.gz JSTVLMKXISMWQG-LBPRGKRZSA-N 1 0 239.428 3.953 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)oc1C ZINC000309748649 487541189 /nfs/dbraw/zinc/54/11/89/487541189.db2.gz JXSAVDWVSKRVBW-GHMZBOCLSA-N 1 0 221.344 3.593 20 0 BHADRO CC1([NH2+]Cc2ccsc2)CCC(F)(F)CC1 ZINC000309748731 491058835 /nfs/dbraw/zinc/05/88/35/491058835.db2.gz GEKRQLFQIQAWHM-UHFFFAOYSA-N 1 0 245.338 3.806 20 0 BHADRO CC1(C[NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000309748778 326166705 /nfs/dbraw/zinc/16/67/05/326166705.db2.gz GGLVYKFINGWVIS-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000309748802 347152187 /nfs/dbraw/zinc/15/21/87/347152187.db2.gz GHEGFXDQWGLHJN-GFCCVEGCSA-N 1 0 221.344 3.586 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000309748803 344451560 /nfs/dbraw/zinc/45/15/60/344451560.db2.gz GHEGFXDQWGLHJN-LBPRGKRZSA-N 1 0 221.344 3.586 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C2CC2)oc1C ZINC000309748979 487540709 /nfs/dbraw/zinc/54/07/09/487540709.db2.gz JXSAVDWVSKRVBW-MNOVXSKESA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C2CC2)oc1C ZINC000309748982 487540429 /nfs/dbraw/zinc/54/04/29/487540429.db2.gz JXSAVDWVSKRVBW-QWRGUYRKSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C2CC2)oc1C ZINC000309748986 487541065 /nfs/dbraw/zinc/54/10/65/487541065.db2.gz JXSAVDWVSKRVBW-WDEREUQCSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000309749782 711689241 /nfs/dbraw/zinc/68/92/41/711689241.db2.gz GKPKOGKQVCSMAE-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000309749783 632666012 /nfs/dbraw/zinc/66/60/12/632666012.db2.gz GKPKOGKQVCSMAE-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309750944 388464100 /nfs/dbraw/zinc/46/41/00/388464100.db2.gz KMNFNTJIRBVKMV-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000309750945 388464017 /nfs/dbraw/zinc/46/40/17/388464017.db2.gz KMNFNTJIRBVKMV-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309751308 388464153 /nfs/dbraw/zinc/46/41/53/388464153.db2.gz GUASKIMEHFLDIQ-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309751309 388464175 /nfs/dbraw/zinc/46/41/75/388464175.db2.gz GUASKIMEHFLDIQ-MCIONIFRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309751310 388463993 /nfs/dbraw/zinc/46/39/93/388463993.db2.gz GUASKIMEHFLDIQ-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309751311 388464093 /nfs/dbraw/zinc/46/40/93/388464093.db2.gz GUASKIMEHFLDIQ-RDBSUJKOSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CSC[C@H]1C ZINC000309751379 388464028 /nfs/dbraw/zinc/46/40/28/388464028.db2.gz KQIFJBWJPAIWCI-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309751381 388463903 /nfs/dbraw/zinc/46/39/03/388463903.db2.gz KQIFJBWJPAIWCI-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CSC[C@@H]1C ZINC000309751382 388464242 /nfs/dbraw/zinc/46/42/42/388464242.db2.gz KQIFJBWJPAIWCI-SCRDCRAPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CSC[C@H]1C ZINC000309751383 388464068 /nfs/dbraw/zinc/46/40/68/388464068.db2.gz KQIFJBWJPAIWCI-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C)Sc1ccccc1 ZINC000309751385 633236999 /nfs/dbraw/zinc/23/69/99/633236999.db2.gz KQIYPROFPMXQMN-BZPMIXESSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)Sc1ccccc1 ZINC000309751386 632664033 /nfs/dbraw/zinc/66/40/33/632664033.db2.gz KQIYPROFPMXQMN-OUCADQQQSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)Sc1ccccc1 ZINC000309751388 632664279 /nfs/dbraw/zinc/66/42/79/632664279.db2.gz KQIYPROFPMXQMN-SCRDCRAPSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)Sc1ccccc1 ZINC000309751389 632664900 /nfs/dbraw/zinc/66/49/00/632664900.db2.gz KQIYPROFPMXQMN-YRGRVCCFSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccccc1)C(F)(F)F ZINC000309752748 386321939 /nfs/dbraw/zinc/32/19/39/386321939.db2.gz KXNMWJYJYCJXJX-NXEZZACHSA-N 1 0 231.261 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(F)(F)F ZINC000309752752 388464224 /nfs/dbraw/zinc/46/42/24/388464224.db2.gz KXNMWJYJYCJXJX-UWVGGRQHSA-N 1 0 231.261 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000309753234 388464119 /nfs/dbraw/zinc/46/41/19/388464119.db2.gz KXNMWJYJYCJXJX-VHSXEESVSA-N 1 0 231.261 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)C(F)(F)F ZINC000309753235 388463941 /nfs/dbraw/zinc/46/39/41/388463941.db2.gz KXNMWJYJYCJXJX-ZJUUUORDSA-N 1 0 231.261 3.536 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)cc(Cl)n1 ZINC000309753356 633237154 /nfs/dbraw/zinc/23/71/54/633237154.db2.gz HDWFDIGEIPGBDY-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000309754592 259324268 /nfs/dbraw/zinc/32/42/68/259324268.db2.gz LHLQQZJRZNKUDC-SECBINFHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000309754593 259324224 /nfs/dbraw/zinc/32/42/24/259324224.db2.gz LHLQQZJRZNKUDC-VIFPVBQESA-N 1 0 237.309 3.886 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccsc1 ZINC000309754984 259324233 /nfs/dbraw/zinc/32/42/33/259324233.db2.gz HLJWQLYMZCBBJD-GXTWGEPZSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccsc1 ZINC000309754985 259324252 /nfs/dbraw/zinc/32/42/52/259324252.db2.gz HLJWQLYMZCBBJD-JSGCOSHPSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccsc1 ZINC000309755442 386320662 /nfs/dbraw/zinc/32/06/62/386320662.db2.gz HLJWQLYMZCBBJD-OCCSQVGLSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccsc1 ZINC000309755445 388464131 /nfs/dbraw/zinc/46/41/31/388464131.db2.gz HLJWQLYMZCBBJD-TZMCWYRMSA-N 1 0 235.396 3.830 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309755518 388464135 /nfs/dbraw/zinc/46/41/35/388464135.db2.gz HMPGHVNUKHILMX-GWCFXTLKSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309755520 229466063 /nfs/dbraw/zinc/46/60/63/229466063.db2.gz HMPGHVNUKHILMX-GXFFZTMASA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309755522 388463896 /nfs/dbraw/zinc/46/38/96/388463896.db2.gz HMPGHVNUKHILMX-MFKMUULPSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309755526 388464042 /nfs/dbraw/zinc/46/40/42/388464042.db2.gz HMPGHVNUKHILMX-ZWNOBZJWSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C1(C2CC2)CC1 ZINC000309755873 326165832 /nfs/dbraw/zinc/16/58/32/326165832.db2.gz LLWXKRSRROGFSK-GFCCVEGCSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C1(C2CC2)CC1 ZINC000309755875 326165731 /nfs/dbraw/zinc/16/57/31/326165731.db2.gz LLWXKRSRROGFSK-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000309757272 342866343 /nfs/dbraw/zinc/86/63/43/342866343.db2.gz HUIWRSUKMMZIAY-AWEZNQCLSA-N 1 0 235.758 3.928 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000309757273 342866339 /nfs/dbraw/zinc/86/63/39/342866339.db2.gz HUIWRSUKMMZIAY-CQSZACIVSA-N 1 0 235.758 3.928 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000309757802 491155622 /nfs/dbraw/zinc/15/56/22/491155622.db2.gz IAMVGJJWYXSGCJ-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000309757804 491155672 /nfs/dbraw/zinc/15/56/72/491155672.db2.gz IAMVGJJWYXSGCJ-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000309757805 491155626 /nfs/dbraw/zinc/15/56/26/491155626.db2.gz IAMVGJJWYXSGCJ-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000309757806 491155635 /nfs/dbraw/zinc/15/56/35/491155635.db2.gz IAMVGJJWYXSGCJ-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000309758420 175656255 /nfs/dbraw/zinc/65/62/55/175656255.db2.gz LYXYIUAIYZFLMN-GCVQQVDUSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000309758421 384590722 /nfs/dbraw/zinc/59/07/22/384590722.db2.gz LYXYIUAIYZFLMN-OIKLOGQESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC(C1CC1)C1CC1 ZINC000309758453 326167061 /nfs/dbraw/zinc/16/70/61/326167061.db2.gz MAAPVQCEYUTGAS-LLVKDONJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC(C1CC1)C1CC1 ZINC000309758454 326166819 /nfs/dbraw/zinc/16/68/19/326166819.db2.gz MAAPVQCEYUTGAS-NSHDSACASA-N 1 0 221.388 3.591 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309759358 388463842 /nfs/dbraw/zinc/46/38/42/388463842.db2.gz IIYUXNORNPDOQN-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCC1(C)CC1 ZINC000309761087 175662369 /nfs/dbraw/zinc/66/23/69/175662369.db2.gz MOEDSULTTGPDKB-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCC1(C)CC1 ZINC000309761088 384592293 /nfs/dbraw/zinc/59/22/93/384592293.db2.gz MOEDSULTTGPDKB-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000309762614 632667521 /nfs/dbraw/zinc/66/75/21/632667521.db2.gz JAQNCEWUIIMYGC-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000309762618 632666835 /nfs/dbraw/zinc/66/68/35/632666835.db2.gz JAQNCEWUIIMYGC-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000309762619 632667599 /nfs/dbraw/zinc/66/75/99/632667599.db2.gz JAQNCEWUIIMYGC-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000309762621 711700642 /nfs/dbraw/zinc/70/06/42/711700642.db2.gz JAQNCEWUIIMYGC-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000309763033 168022452 /nfs/dbraw/zinc/02/24/52/168022452.db2.gz JCZKPBAIYSHAKZ-GFCCVEGCSA-N 1 0 235.396 3.905 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000309763035 168021495 /nfs/dbraw/zinc/02/14/95/168021495.db2.gz JCZKPBAIYSHAKZ-LBPRGKRZSA-N 1 0 235.396 3.905 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309763043 388463984 /nfs/dbraw/zinc/46/39/84/388463984.db2.gz JDBAWTKIOOQSRM-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000309763045 388464163 /nfs/dbraw/zinc/46/41/63/388464163.db2.gz JDBAWTKIOOQSRM-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309763047 388464254 /nfs/dbraw/zinc/46/42/54/388464254.db2.gz JDBAWTKIOOQSRM-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000309763049 534243293 /nfs/dbraw/zinc/24/32/93/534243293.db2.gz JDBAWTKIOOQSRM-RDBSUJKOSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000309763496 388464095 /nfs/dbraw/zinc/46/40/95/388464095.db2.gz JEGZSDTZXRQKFF-BFHYXJOUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000309763498 388463794 /nfs/dbraw/zinc/46/37/94/388463794.db2.gz JEGZSDTZXRQKFF-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000309763499 529049214 /nfs/dbraw/zinc/04/92/14/529049214.db2.gz JEGZSDTZXRQKFF-MELADBBJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000309763500 388464215 /nfs/dbraw/zinc/46/42/15/388464215.db2.gz JEGZSDTZXRQKFF-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309763531 633242607 /nfs/dbraw/zinc/24/26/07/633242607.db2.gz JEOITEODFRPNII-GXTWGEPZSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309763532 632667908 /nfs/dbraw/zinc/66/79/08/632667908.db2.gz JEOITEODFRPNII-JSGCOSHPSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309763533 633243422 /nfs/dbraw/zinc/24/34/22/633243422.db2.gz JEOITEODFRPNII-OCCSQVGLSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000309763535 633242794 /nfs/dbraw/zinc/24/27/94/633242794.db2.gz JEOITEODFRPNII-TZMCWYRMSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)[C@@H]1C ZINC000309763580 388464073 /nfs/dbraw/zinc/46/40/73/388464073.db2.gz JFLSSYKPWVYQLI-GYSYKLTISA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)[C@@H]1C ZINC000309763582 409876469 /nfs/dbraw/zinc/87/64/69/409876469.db2.gz JFLSSYKPWVYQLI-JTNHKYCSSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)[C@H]1C ZINC000309763583 322912056 /nfs/dbraw/zinc/91/20/56/322912056.db2.gz JFLSSYKPWVYQLI-SUNKGSAMSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)[C@H]1C ZINC000309763585 409874409 /nfs/dbraw/zinc/87/44/09/409874409.db2.gz JFLSSYKPWVYQLI-UHIISALHSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCC1(C)C ZINC000309763805 409875702 /nfs/dbraw/zinc/87/57/02/409875702.db2.gz NBUFMTHUKCOEMK-AAEUAGOBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC1(C)C ZINC000309763806 398039809 /nfs/dbraw/zinc/03/98/09/398039809.db2.gz NBUFMTHUKCOEMK-DGCLKSJQSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCC1(C)C ZINC000309763807 398039802 /nfs/dbraw/zinc/03/98/02/398039802.db2.gz NBUFMTHUKCOEMK-WCQYABFASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC1(C)C ZINC000309763808 398039788 /nfs/dbraw/zinc/03/97/88/398039788.db2.gz NBUFMTHUKCOEMK-YPMHNXCESA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309763828 322912583 /nfs/dbraw/zinc/91/25/83/322912583.db2.gz NDEPHUKCBVQGLH-BZPMIXESSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309763829 384385652 /nfs/dbraw/zinc/38/56/52/384385652.db2.gz NDEPHUKCBVQGLH-DYEKYZERSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309763830 322912399 /nfs/dbraw/zinc/91/23/99/322912399.db2.gz NDEPHUKCBVQGLH-MBNYWOFBSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309763831 256527137 /nfs/dbraw/zinc/52/71/37/256527137.db2.gz NDEPHUKCBVQGLH-YRGRVCCFSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)[C@H](C)C1 ZINC000309764130 176234233 /nfs/dbraw/zinc/23/42/33/176234233.db2.gz JGYROVFBECAKCN-MQYQWHSLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)[C@@H](C)C1 ZINC000309764139 177356479 /nfs/dbraw/zinc/35/64/79/177356479.db2.gz JGYROVFBECAKCN-RFGFWPKPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@H](C)C1 ZINC000309764144 176233942 /nfs/dbraw/zinc/23/39/42/176233942.db2.gz JGYROVFBECAKCN-YIYPIFLZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H](C)C1 ZINC000309764151 135442744 /nfs/dbraw/zinc/44/27/44/135442744.db2.gz JGYROVFBECAKCN-ZOBORPQBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000309765400 534257764 /nfs/dbraw/zinc/25/77/64/534257764.db2.gz JLAVOFMSAPHEJB-ARILJUKYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000309765403 534257990 /nfs/dbraw/zinc/25/79/90/534257990.db2.gz JLAVOFMSAPHEJB-CAEXGNQWSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000309765406 534257817 /nfs/dbraw/zinc/25/78/17/534257817.db2.gz JLAVOFMSAPHEJB-NIFZNCRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000309765410 388464016 /nfs/dbraw/zinc/46/40/16/388464016.db2.gz JLAVOFMSAPHEJB-QKGCVVFFSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000309766594 384595704 /nfs/dbraw/zinc/59/57/04/384595704.db2.gz JPTJPPNTNRXQTR-SECBINFHSA-N 1 0 249.301 3.655 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000309766595 188346325 /nfs/dbraw/zinc/34/63/25/188346325.db2.gz JPTJPPNTNRXQTR-VIFPVBQESA-N 1 0 249.301 3.655 20 0 BHADRO CC1(C)CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000309767032 384817379 /nfs/dbraw/zinc/81/73/79/384817379.db2.gz JPYSMICTIFYCDT-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C=CCCC1 ZINC000309767844 229467263 /nfs/dbraw/zinc/46/72/63/229467263.db2.gz OBCDUBIHKCQKDF-GHMZBOCLSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C=CCCC1 ZINC000309767848 229466760 /nfs/dbraw/zinc/46/67/60/229466760.db2.gz OBCDUBIHKCQKDF-MNOVXSKESA-N 1 0 235.293 3.806 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1C=CCCC1 ZINC000309767852 388464207 /nfs/dbraw/zinc/46/42/07/388464207.db2.gz OBCDUBIHKCQKDF-QWRGUYRKSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C=CCCC1 ZINC000309767857 388464177 /nfs/dbraw/zinc/46/41/77/388464177.db2.gz OBCDUBIHKCQKDF-WDEREUQCSA-N 1 0 235.293 3.806 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@H](C)C1 ZINC000309768049 388463955 /nfs/dbraw/zinc/46/39/55/388463955.db2.gz JYEBXFNMHXEUAK-NKQKNBIVSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@@H](C)C1 ZINC000309768050 388464115 /nfs/dbraw/zinc/46/41/15/388464115.db2.gz JYEBXFNMHXEUAK-QFCKPIOYSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H](C)C1 ZINC000309768051 388463884 /nfs/dbraw/zinc/46/38/84/388463884.db2.gz JYEBXFNMHXEUAK-SOMZYNEFSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@@H](C)C1 ZINC000309768052 388464025 /nfs/dbraw/zinc/46/40/25/388464025.db2.gz JYEBXFNMHXEUAK-VJFWYMLFSA-N 1 0 221.388 3.589 20 0 BHADRO CC1(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000309768734 527980941 /nfs/dbraw/zinc/98/09/41/527980941.db2.gz JYQXRHRWNAWSKW-UHFFFAOYSA-N 1 0 231.364 3.791 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000309768848 326167254 /nfs/dbraw/zinc/16/72/54/326167254.db2.gz KBGCKPJUXCWXEQ-CYBMUJFWSA-N 1 0 235.758 3.717 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000309768849 326167707 /nfs/dbraw/zinc/16/77/07/326167707.db2.gz KBGCKPJUXCWXEQ-ZDUSSCGKSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309768919 256527408 /nfs/dbraw/zinc/52/74/08/256527408.db2.gz OESSVSDLKYYYAR-BNOWGMLFSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309768921 384386829 /nfs/dbraw/zinc/38/68/29/384386829.db2.gz OESSVSDLKYYYAR-KWCYVHTRSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309768924 384386307 /nfs/dbraw/zinc/38/63/07/384386307.db2.gz OESSVSDLKYYYAR-MRVWCRGKSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000309768926 256527759 /nfs/dbraw/zinc/52/77/59/256527759.db2.gz OESSVSDLKYYYAR-XBFCOCLRSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309769088 256527161 /nfs/dbraw/zinc/52/71/61/256527161.db2.gz OHEODIHPXOOUSE-BYCMXARLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309769090 384388608 /nfs/dbraw/zinc/38/86/08/384388608.db2.gz OHEODIHPXOOUSE-DFBGVHRSSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309769092 384389895 /nfs/dbraw/zinc/38/98/95/384389895.db2.gz OHEODIHPXOOUSE-KCPJHIHWSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309769094 384388229 /nfs/dbraw/zinc/38/82/29/384388229.db2.gz OHEODIHPXOOUSE-UGFHNGPFSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ccon1 ZINC000309769742 384598174 /nfs/dbraw/zinc/59/81/74/384598174.db2.gz OJVIZVSUYWYRLZ-GHMZBOCLSA-N 1 0 224.348 3.540 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccon1 ZINC000309769743 384597320 /nfs/dbraw/zinc/59/73/20/384597320.db2.gz OJVIZVSUYWYRLZ-MNOVXSKESA-N 1 0 224.348 3.540 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccon1 ZINC000309769744 384599549 /nfs/dbraw/zinc/59/95/49/384599549.db2.gz OJVIZVSUYWYRLZ-QWRGUYRKSA-N 1 0 224.348 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ccon1 ZINC000309769745 384598114 /nfs/dbraw/zinc/59/81/14/384598114.db2.gz OJVIZVSUYWYRLZ-WDEREUQCSA-N 1 0 224.348 3.540 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000309769879 370256922 /nfs/dbraw/zinc/25/69/22/370256922.db2.gz KFHPZXQSPRCESQ-LLVKDONJSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC000309769881 370256572 /nfs/dbraw/zinc/25/65/72/370256572.db2.gz KFHPZXQSPRCESQ-NSHDSACASA-N 1 0 231.330 3.592 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)Cc1cccs1 ZINC000309771099 256527211 /nfs/dbraw/zinc/52/72/11/256527211.db2.gz OPXFXWUHRDYBBD-AAEUAGOBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)Cc1cccs1 ZINC000309771102 384388648 /nfs/dbraw/zinc/38/86/48/384388648.db2.gz OPXFXWUHRDYBBD-DGCLKSJQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)Cc1cccs1 ZINC000309771106 384388389 /nfs/dbraw/zinc/38/83/89/384388389.db2.gz OPXFXWUHRDYBBD-WCQYABFASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)Cc1cccs1 ZINC000309771110 384388946 /nfs/dbraw/zinc/38/89/46/384388946.db2.gz OPXFXWUHRDYBBD-YPMHNXCESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@H]1C ZINC000309771450 384393110 /nfs/dbraw/zinc/39/31/10/384393110.db2.gz KOGIWHHHNKLQRT-DBWOOVFOSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@H]1C ZINC000309771451 384392757 /nfs/dbraw/zinc/39/27/57/384392757.db2.gz KOGIWHHHNKLQRT-FSKVPOERSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@@H]1C ZINC000309771453 384391825 /nfs/dbraw/zinc/39/18/25/384391825.db2.gz KOGIWHHHNKLQRT-KYFQHEKYSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@@H]1C ZINC000309771454 384392220 /nfs/dbraw/zinc/39/22/20/384392220.db2.gz KOGIWHHHNKLQRT-YRKSKIDTSA-N 1 0 221.388 3.589 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000309771484 168019802 /nfs/dbraw/zinc/01/98/02/168019802.db2.gz KPHODEIGGITWRA-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000309771862 384391247 /nfs/dbraw/zinc/39/12/47/384391247.db2.gz KSAASEGEYPJAJZ-CYBMUJFWSA-N 1 0 237.774 3.661 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000309771864 256527566 /nfs/dbraw/zinc/52/75/66/256527566.db2.gz KSAASEGEYPJAJZ-ZDUSSCGKSA-N 1 0 237.774 3.661 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1C=CCCC1 ZINC000309772297 388464218 /nfs/dbraw/zinc/46/42/18/388464218.db2.gz KSLRCZGPMZHNLM-KKUMJFAQSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C=CCCC1 ZINC000309772298 388464078 /nfs/dbraw/zinc/46/40/78/388464078.db2.gz KSLRCZGPMZHNLM-RRFJBIMHSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C=CCCC1 ZINC000309772299 388463898 /nfs/dbraw/zinc/46/38/98/388463898.db2.gz KSLRCZGPMZHNLM-SOUVJXGZSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1C=CCCC1 ZINC000309772301 388464182 /nfs/dbraw/zinc/46/41/82/388464182.db2.gz KSLRCZGPMZHNLM-ZNMIVQPWSA-N 1 0 219.372 3.677 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCCc1ccc(Cl)cc1 ZINC000309772326 388464173 /nfs/dbraw/zinc/46/41/73/388464173.db2.gz KSZFGUCDZJNVPL-AAEUAGOBSA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCCc1ccc(Cl)cc1 ZINC000309772328 533726302 /nfs/dbraw/zinc/72/63/02/533726302.db2.gz KSZFGUCDZJNVPL-DGCLKSJQSA-N 1 0 237.774 3.518 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCCc1ccc(Cl)cc1 ZINC000309772329 229466873 /nfs/dbraw/zinc/46/68/73/229466873.db2.gz KSZFGUCDZJNVPL-WCQYABFASA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCCc1ccc(Cl)cc1 ZINC000309772330 388464213 /nfs/dbraw/zinc/46/42/13/388464213.db2.gz KSZFGUCDZJNVPL-YPMHNXCESA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309772820 491156136 /nfs/dbraw/zinc/15/61/36/491156136.db2.gz KWWZZYQAUHWRRQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309772821 491156142 /nfs/dbraw/zinc/15/61/42/491156142.db2.gz KWWZZYQAUHWRRQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000309772822 491156179 /nfs/dbraw/zinc/15/61/79/491156179.db2.gz KWWZZYQAUHWRRQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000309772823 491156138 /nfs/dbraw/zinc/15/61/38/491156138.db2.gz KWWZZYQAUHWRRQ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCSC1 ZINC000309772840 388463982 /nfs/dbraw/zinc/46/39/82/388463982.db2.gz KXJPMTTZHMNQRI-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309772841 388463964 /nfs/dbraw/zinc/46/39/64/388463964.db2.gz KXJPMTTZHMNQRI-RFQIPJPRSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309772842 388463807 /nfs/dbraw/zinc/46/38/07/388463807.db2.gz KXJPMTTZHMNQRI-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCCSC1 ZINC000309772843 533731310 /nfs/dbraw/zinc/73/13/10/533731310.db2.gz KXJPMTTZHMNQRI-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CCC(C)(C)C1CCC([NH2+][C@@H](C)CF)CC1 ZINC000309774738 384392913 /nfs/dbraw/zinc/39/29/13/384392913.db2.gz LKWCBDLPPMDFPN-HIFPTAJRSA-N 1 0 229.383 3.929 20 0 BHADRO CCC(C)(C)C1CCC([NH2+][C@H](C)CF)CC1 ZINC000309774739 384394557 /nfs/dbraw/zinc/39/45/57/384394557.db2.gz LKWCBDLPPMDFPN-PNESKVBLSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309775616 384394733 /nfs/dbraw/zinc/39/47/33/384394733.db2.gz LQFGFZVEYHBVHG-AYRXBEOTSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309775617 384395862 /nfs/dbraw/zinc/39/58/62/384395862.db2.gz LQFGFZVEYHBVHG-DHMWGJHJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309775618 256527712 /nfs/dbraw/zinc/52/77/12/256527712.db2.gz LQFGFZVEYHBVHG-OSRDXIQISA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309775619 256527146 /nfs/dbraw/zinc/52/71/46/256527146.db2.gz LQFGFZVEYHBVHG-PAPYEOQZSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000309776215 534243138 /nfs/dbraw/zinc/24/31/38/534243138.db2.gz LTNGIMRLGTVKHX-GZBLMMOJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000309776216 388463998 /nfs/dbraw/zinc/46/39/98/388463998.db2.gz LTNGIMRLGTVKHX-KHMAMNHCSA-N 1 0 221.388 3.591 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ncc(C)s1 ZINC000309776718 168278452 /nfs/dbraw/zinc/27/84/52/168278452.db2.gz LVWRWMZPQSLFNC-LLVKDONJSA-N 1 0 240.416 3.928 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000309776719 168276526 /nfs/dbraw/zinc/27/65/26/168276526.db2.gz LVWRWMZPQSLFNC-NSHDSACASA-N 1 0 240.416 3.928 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309778315 176642546 /nfs/dbraw/zinc/64/25/46/176642546.db2.gz QJOYPUWXBBAHNF-KGYLQXTDSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309778316 384601475 /nfs/dbraw/zinc/60/14/75/384601475.db2.gz QJOYPUWXBBAHNF-RAIGVLPGSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309778317 176642968 /nfs/dbraw/zinc/64/29/68/176642968.db2.gz QJOYPUWXBBAHNF-RTXFEEFZSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000309778318 384825551 /nfs/dbraw/zinc/82/55/51/384825551.db2.gz QJOYPUWXBBAHNF-WXHSDQCUSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309779179 388464538 /nfs/dbraw/zinc/46/45/38/388464538.db2.gz QOYBMXOJFXAQNA-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309779182 388464758 /nfs/dbraw/zinc/46/47/58/388464758.db2.gz QOYBMXOJFXAQNA-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C)C(F)(F)F ZINC000309779186 384601321 /nfs/dbraw/zinc/60/13/21/384601321.db2.gz QOYBMXOJFXAQNA-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C(F)(F)F ZINC000309779189 388464712 /nfs/dbraw/zinc/46/47/12/388464712.db2.gz QOYBMXOJFXAQNA-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309779373 326168228 /nfs/dbraw/zinc/16/82/28/326168228.db2.gz MOEKNNYKTXJTEA-AAEUAGOBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309779374 326168061 /nfs/dbraw/zinc/16/80/61/326168061.db2.gz MOEKNNYKTXJTEA-DGCLKSJQSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309779475 326167895 /nfs/dbraw/zinc/16/78/95/326167895.db2.gz MOEKNNYKTXJTEA-WCQYABFASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309779476 326167980 /nfs/dbraw/zinc/16/79/80/326167980.db2.gz MOEKNNYKTXJTEA-YPMHNXCESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309779629 388464887 /nfs/dbraw/zinc/46/48/87/388464887.db2.gz MQEKIGLPEWUVTI-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309779631 388464631 /nfs/dbraw/zinc/46/46/31/388464631.db2.gz MQEKIGLPEWUVTI-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309779632 384602878 /nfs/dbraw/zinc/60/28/78/384602878.db2.gz MQEKIGLPEWUVTI-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309779633 229467388 /nfs/dbraw/zinc/46/73/88/229467388.db2.gz MQEKIGLPEWUVTI-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)[C@@H]1C ZINC000309779957 256527771 /nfs/dbraw/zinc/52/77/71/256527771.db2.gz MRAXATDOLRESJA-GYSYKLTISA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)[C@@H]1C ZINC000309779958 384391237 /nfs/dbraw/zinc/39/12/37/384391237.db2.gz MRAXATDOLRESJA-JTNHKYCSSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)[C@H]1C ZINC000309779959 256527347 /nfs/dbraw/zinc/52/73/47/256527347.db2.gz MRAXATDOLRESJA-SUNKGSAMSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)[C@H]1C ZINC000309779960 256527185 /nfs/dbraw/zinc/52/71/85/256527185.db2.gz MRAXATDOLRESJA-UHIISALHSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000309779975 384392442 /nfs/dbraw/zinc/39/24/42/384392442.db2.gz MRUFITPOQFAKFC-IMRBUKKESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC2(CCC2)C1 ZINC000309779976 384391483 /nfs/dbraw/zinc/39/14/83/384391483.db2.gz MRUFITPOQFAKFC-RYUDHWBXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC2(CCC2)C1 ZINC000309779977 384391004 /nfs/dbraw/zinc/39/10/04/384391004.db2.gz MRUFITPOQFAKFC-VXGBXAGGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000309779999 491156349 /nfs/dbraw/zinc/15/63/49/491156349.db2.gz MSEPKNUJPUDYKX-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000309780000 491156317 /nfs/dbraw/zinc/15/63/17/491156317.db2.gz MSEPKNUJPUDYKX-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000309780001 491156313 /nfs/dbraw/zinc/15/63/13/491156313.db2.gz MSEPKNUJPUDYKX-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000309780002 491156294 /nfs/dbraw/zinc/15/62/94/491156294.db2.gz MSEPKNUJPUDYKX-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@]1(c2cccs2)C[C@@H]1C[NH2+]C1CCCC1 ZINC000309780908 176548900 /nfs/dbraw/zinc/54/89/00/176548900.db2.gz MWKATWQVGURLLE-BXUZGUMPSA-N 1 0 235.396 3.558 20 0 BHADRO C[C@]1(c2cccs2)C[C@H]1C[NH2+]C1CCCC1 ZINC000309780909 384604110 /nfs/dbraw/zinc/60/41/10/384604110.db2.gz MWKATWQVGURLLE-FZMZJTMJSA-N 1 0 235.396 3.558 20 0 BHADRO C[C@]1(c2cccs2)C[C@@H]1C[NH2+]C1CCCC1 ZINC000309780910 177480395 /nfs/dbraw/zinc/48/03/95/177480395.db2.gz MWKATWQVGURLLE-RISCZKNCSA-N 1 0 235.396 3.558 20 0 BHADRO C[C@@]1(c2cccs2)C[C@H]1C[NH2+]C1CCCC1 ZINC000309780911 176548165 /nfs/dbraw/zinc/54/81/65/176548165.db2.gz MWKATWQVGURLLE-SMDDNHRTSA-N 1 0 235.396 3.558 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000309780982 398040170 /nfs/dbraw/zinc/04/01/70/398040170.db2.gz RBYWGGYOIDHGIH-KBPBESRZSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000309780983 398041099 /nfs/dbraw/zinc/04/10/99/398041099.db2.gz RBYWGGYOIDHGIH-KGLIPLIRSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000309780984 398041057 /nfs/dbraw/zinc/04/10/57/398041057.db2.gz RBYWGGYOIDHGIH-UONOGXRCSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000309780985 398041052 /nfs/dbraw/zinc/04/10/52/398041052.db2.gz RBYWGGYOIDHGIH-ZIAGYGMSSA-N 1 0 241.444 3.997 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309782375 384400592 /nfs/dbraw/zinc/40/05/92/384400592.db2.gz NFKOKIREPVBMGS-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000309782376 256527266 /nfs/dbraw/zinc/52/72/66/256527266.db2.gz NFKOKIREPVBMGS-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309782378 384400786 /nfs/dbraw/zinc/40/07/86/384400786.db2.gz NFKOKIREPVBMGS-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000309782379 384400353 /nfs/dbraw/zinc/40/03/53/384400353.db2.gz NFKOKIREPVBMGS-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1C ZINC000309783294 633734348 /nfs/dbraw/zinc/73/43/48/633734348.db2.gz NKUARMMECTWRLI-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1C ZINC000309783295 633735100 /nfs/dbraw/zinc/73/51/00/633735100.db2.gz NKUARMMECTWRLI-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)=CCC[C@H](C)CCNc1c[nH]cn1 ZINC000309783541 347163354 /nfs/dbraw/zinc/16/33/54/347163354.db2.gz RTYFTQRYYCYIPT-LBPRGKRZSA-N 1 0 221.348 3.594 20 0 BHADRO CC1(C)C[C@@H]1CNc1ccnc2ccsc21 ZINC000309784166 347162956 /nfs/dbraw/zinc/16/29/56/347162956.db2.gz NPTSMVSFDAMBAI-SECBINFHSA-N 1 0 232.352 3.754 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000309784565 487622707 /nfs/dbraw/zinc/62/27/07/487622707.db2.gz NRIBJFVYIBMQCQ-HNNXBMFYSA-N 1 0 215.340 3.583 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000309784567 487622628 /nfs/dbraw/zinc/62/26/28/487622628.db2.gz NRIBJFVYIBMQCQ-OAHLLOKOSA-N 1 0 215.340 3.583 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1CCC2(CC2)CC1 ZINC000309784776 384608640 /nfs/dbraw/zinc/60/86/40/384608640.db2.gz SEWVSSSBUGLYKO-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1CCC2(CC2)CC1 ZINC000309784777 384608989 /nfs/dbraw/zinc/60/89/89/384608989.db2.gz SEWVSSSBUGLYKO-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C2CCCC2)c(C)o1 ZINC000309785868 633735767 /nfs/dbraw/zinc/73/57/67/633735767.db2.gz NZJWZJHDHWBXRP-NSHDSACASA-N 1 0 221.344 3.565 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CC1(C)C ZINC000309788250 533692360 /nfs/dbraw/zinc/69/23/60/533692360.db2.gz TWOZJNYRXJGDDG-AAEUAGOBSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CC1(C)C ZINC000309788251 534003315 /nfs/dbraw/zinc/00/33/15/534003315.db2.gz TWOZJNYRXJGDDG-DGCLKSJQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CC1(C)C ZINC000309788252 388464576 /nfs/dbraw/zinc/46/45/76/388464576.db2.gz TWOZJNYRXJGDDG-WCQYABFASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CC1(C)C ZINC000309788253 388464973 /nfs/dbraw/zinc/46/49/73/388464973.db2.gz TWOZJNYRXJGDDG-YPMHNXCESA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H]([NH2+]Cc1scnc1C1CC1)C(C)(C)C ZINC000309789827 342897747 /nfs/dbraw/zinc/89/77/47/342897747.db2.gz OXZATHXZCHCSHM-SECBINFHSA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000309789834 387229832 /nfs/dbraw/zinc/22/98/32/387229832.db2.gz OYBYKVKULQIEAE-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000309789835 323532968 /nfs/dbraw/zinc/53/29/68/323532968.db2.gz OYBYKVKULQIEAE-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000309789836 387229282 /nfs/dbraw/zinc/22/92/82/387229282.db2.gz OYBYKVKULQIEAE-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000309789837 387228962 /nfs/dbraw/zinc/22/89/62/387228962.db2.gz OYBYKVKULQIEAE-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccsc1 ZINC000309789900 388464755 /nfs/dbraw/zinc/46/47/55/388464755.db2.gz OZMYACUNMNRCLZ-GXTWGEPZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccsc1 ZINC000309789901 388464965 /nfs/dbraw/zinc/46/49/65/388464965.db2.gz OZMYACUNMNRCLZ-JSGCOSHPSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccsc1 ZINC000309789903 388464766 /nfs/dbraw/zinc/46/47/66/388464766.db2.gz OZMYACUNMNRCLZ-OCCSQVGLSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccsc1 ZINC000309789904 533615894 /nfs/dbraw/zinc/61/58/94/533615894.db2.gz OZMYACUNMNRCLZ-TZMCWYRMSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCCCC1 ZINC000309790863 388465007 /nfs/dbraw/zinc/46/50/07/388465007.db2.gz PDHFOJHFRSSRRF-ILXRZTDVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCCCC1 ZINC000309790864 388464982 /nfs/dbraw/zinc/46/49/82/388464982.db2.gz PDHFOJHFRSSRRF-KFWWJZLASA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000309790966 388464701 /nfs/dbraw/zinc/46/47/01/388464701.db2.gz PFJOLKGMHRSOTC-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000309790967 388464410 /nfs/dbraw/zinc/46/44/10/388464410.db2.gz PFJOLKGMHRSOTC-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCCC2 ZINC000309791443 384613074 /nfs/dbraw/zinc/61/30/74/384613074.db2.gz UNDQEXCLPGEQGK-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCCC2 ZINC000309791446 384840332 /nfs/dbraw/zinc/84/03/32/384840332.db2.gz UNDQEXCLPGEQGK-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCCC2 ZINC000309791449 175650055 /nfs/dbraw/zinc/65/00/55/175650055.db2.gz UNDQEXCLPGEQGK-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCCC2 ZINC000309791453 384613365 /nfs/dbraw/zinc/61/33/65/384613365.db2.gz UNDQEXCLPGEQGK-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309791990 388465000 /nfs/dbraw/zinc/46/50/00/388465000.db2.gz UPNCUOMRCZBHQC-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000309791991 527424970 /nfs/dbraw/zinc/42/49/70/527424970.db2.gz UPNCUOMRCZBHQC-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO CC1(CC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000309794783 168020999 /nfs/dbraw/zinc/02/09/99/168020999.db2.gz PXEOHWGFLMNBRH-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000309794809 633747826 /nfs/dbraw/zinc/74/78/26/633747826.db2.gz PXTCVGSHBBBQTD-GXTWGEPZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000309794811 632669482 /nfs/dbraw/zinc/66/94/82/632669482.db2.gz PXTCVGSHBBBQTD-JSGCOSHPSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000309794813 633747472 /nfs/dbraw/zinc/74/74/72/633747472.db2.gz PXTCVGSHBBBQTD-OCCSQVGLSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000309794815 633748396 /nfs/dbraw/zinc/74/83/96/633748396.db2.gz PXTCVGSHBBBQTD-TZMCWYRMSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1CCCCC1)C(F)(F)F ZINC000309795999 388464422 /nfs/dbraw/zinc/46/44/22/388464422.db2.gz VKDUZVBUUHWWNB-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)C(F)(F)F ZINC000309796000 388464458 /nfs/dbraw/zinc/46/44/58/388464458.db2.gz VKDUZVBUUHWWNB-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1CCCCC1 ZINC000309796002 384614454 /nfs/dbraw/zinc/61/44/54/384614454.db2.gz VKDUZVBUUHWWNB-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)C(F)(F)F ZINC000309796004 388464615 /nfs/dbraw/zinc/46/46/15/388464615.db2.gz VKDUZVBUUHWWNB-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309796048 388465021 /nfs/dbraw/zinc/46/50/21/388465021.db2.gz QEDNIGZFLJOHFK-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309796049 388464899 /nfs/dbraw/zinc/46/48/99/388464899.db2.gz QEDNIGZFLJOHFK-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309796050 388464675 /nfs/dbraw/zinc/46/46/75/388464675.db2.gz QEDNIGZFLJOHFK-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309796051 388464428 /nfs/dbraw/zinc/46/44/28/388464428.db2.gz QEDNIGZFLJOHFK-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCCC1(F)F ZINC000309796054 491156713 /nfs/dbraw/zinc/15/67/13/491156713.db2.gz QEFFHBMAJJRJOM-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000309796055 491156758 /nfs/dbraw/zinc/15/67/58/491156758.db2.gz QEFFHBMAJJRJOM-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCCC1(F)F ZINC000309796056 491156752 /nfs/dbraw/zinc/15/67/52/491156752.db2.gz QEFFHBMAJJRJOM-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000309796057 491156772 /nfs/dbraw/zinc/15/67/72/491156772.db2.gz QEFFHBMAJJRJOM-WHOHXGKFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000309796141 533895382 /nfs/dbraw/zinc/89/53/82/533895382.db2.gz QFSDDTPEYDRJBE-HBIQZDMRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000309796142 388464549 /nfs/dbraw/zinc/46/45/49/388464549.db2.gz QFSDDTPEYDRJBE-WNYYMSAVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000309796144 388464659 /nfs/dbraw/zinc/46/46/59/388464659.db2.gz QFSDDTPEYDRJBE-XKGSQUFQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000309796146 388464957 /nfs/dbraw/zinc/46/49/57/388464957.db2.gz QFSDDTPEYDRJBE-YYJSSNLHSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C[NH2+]C2CCC(C(F)F)CC2)CCC1 ZINC000309796551 168040554 /nfs/dbraw/zinc/04/05/54/168040554.db2.gz QGUWQSNMOVMDPS-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[C@H]1C ZINC000309796744 388464749 /nfs/dbraw/zinc/46/47/49/388464749.db2.gz QIZDQKPGCIHODY-GBIGGCNCSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[C@H]1C ZINC000309796751 388464663 /nfs/dbraw/zinc/46/46/63/388464663.db2.gz QIZDQKPGCIHODY-NKQKNBIVSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[C@@H]1C ZINC000309796758 388464656 /nfs/dbraw/zinc/46/46/56/388464656.db2.gz QIZDQKPGCIHODY-VJFWYMLFSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[C@@H]1C ZINC000309796763 388464795 /nfs/dbraw/zinc/46/47/95/388464795.db2.gz QIZDQKPGCIHODY-ZVJHWVFESA-N 1 0 221.388 3.589 20 0 BHADRO CC1(C[NH2+]CCCc2cccc(Cl)c2)CC1 ZINC000309797126 491156723 /nfs/dbraw/zinc/15/67/23/491156723.db2.gz QKSUXBMZDJSGBT-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H](C)CCC2CC2)c1 ZINC000309797636 384611479 /nfs/dbraw/zinc/61/14/79/384611479.db2.gz VTKDJZMLFGOAHS-LLVKDONJSA-N 1 0 218.344 3.689 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H](C)CCC2CC2)c1 ZINC000309797637 384611087 /nfs/dbraw/zinc/61/10/87/384611087.db2.gz VTKDJZMLFGOAHS-NSHDSACASA-N 1 0 218.344 3.689 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309797737 388464776 /nfs/dbraw/zinc/46/47/76/388464776.db2.gz QPGPYWBQRYXFDW-DRZSPHRISA-N 1 0 235.396 3.753 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309799003 527426710 /nfs/dbraw/zinc/42/67/10/527426710.db2.gz WAXSFUXTMPNKBJ-AEGPPILISA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309799009 384618981 /nfs/dbraw/zinc/61/89/81/384618981.db2.gz WAXSFUXTMPNKBJ-CFVMTHIKSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309799016 388464812 /nfs/dbraw/zinc/46/48/12/388464812.db2.gz WAXSFUXTMPNKBJ-NWANDNLSSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309799021 388464590 /nfs/dbraw/zinc/46/45/90/388464590.db2.gz WAXSFUXTMPNKBJ-QEJZJMRPSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C[C@@H](C)C1 ZINC000309799278 177318290 /nfs/dbraw/zinc/31/82/90/177318290.db2.gz QVEVUBKJXZXZON-ITGUQSILSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC([NH2+]C2CC3(CCC3)C2)C[C@@H](C)C1 ZINC000309799280 176055506 /nfs/dbraw/zinc/05/55/06/176055506.db2.gz QVEVUBKJXZXZON-RYUDHWBXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC([NH2+]C2CC3(CCC3)C2)C[C@H](C)C1 ZINC000309799281 177065086 /nfs/dbraw/zinc/06/50/86/177065086.db2.gz QVEVUBKJXZXZON-VXGBXAGGSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1ccc(N[C@@H](C)CCC2CC2)c(C)n1 ZINC000309799338 384839299 /nfs/dbraw/zinc/83/92/99/384839299.db2.gz WCWHJSINSBPSOW-NSHDSACASA-N 1 0 218.344 3.689 20 0 BHADRO C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)C1CC1 ZINC000309800572 326168511 /nfs/dbraw/zinc/16/85/11/326168511.db2.gz RCMRYHCTXRDOJJ-JTQLQIEISA-N 1 0 235.396 3.515 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)C1CC1 ZINC000309800578 326168518 /nfs/dbraw/zinc/16/85/18/326168518.db2.gz RCMRYHCTXRDOJJ-SNVBAGLBSA-N 1 0 235.396 3.515 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]1C ZINC000309801103 384417025 /nfs/dbraw/zinc/41/70/25/384417025.db2.gz REQNWNXJPIDDKJ-JRKPZEMJSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]1C ZINC000309801104 384417089 /nfs/dbraw/zinc/41/70/89/384417089.db2.gz REQNWNXJPIDDKJ-KKFJDGPESA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]1C ZINC000309801105 384418125 /nfs/dbraw/zinc/41/81/25/384418125.db2.gz REQNWNXJPIDDKJ-VYUIOLGVSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]1C ZINC000309801106 384418882 /nfs/dbraw/zinc/41/88/82/384418882.db2.gz REQNWNXJPIDDKJ-ZDMBXUJBSA-N 1 0 241.737 3.613 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC(C)C ZINC000309801217 388466014 /nfs/dbraw/zinc/46/60/14/388466014.db2.gz VDANDXHISYUUON-KAMYIIQDSA-N 1 0 217.356 3.726 20 0 BHADRO CC1([NH2+]Cc2cccs2)CCC(F)(F)CC1 ZINC000309802413 491156818 /nfs/dbraw/zinc/15/68/18/491156818.db2.gz RLMCWHSFCIKSSK-UHFFFAOYSA-N 1 0 245.338 3.806 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309802895 388465905 /nfs/dbraw/zinc/46/59/05/388465905.db2.gz RMFTYTOTORJICO-APPZFPTMSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309802896 533722933 /nfs/dbraw/zinc/72/29/33/533722933.db2.gz RMFTYTOTORJICO-CBAPKCEASA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309802897 229468021 /nfs/dbraw/zinc/46/80/21/229468021.db2.gz RMFTYTOTORJICO-IONNQARKSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309802898 534263482 /nfs/dbraw/zinc/26/34/82/534263482.db2.gz RMFTYTOTORJICO-VXNVDRBHSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000309802954 384624829 /nfs/dbraw/zinc/62/48/29/384624829.db2.gz WWZGLVHPELQPCC-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)C1CCSCC1 ZINC000309802956 384625065 /nfs/dbraw/zinc/62/50/65/384625065.db2.gz WWZGLVHPELQPCC-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000309802958 384626929 /nfs/dbraw/zinc/62/69/29/384626929.db2.gz WWZGLVHPELQPCC-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)C1CCSCC1 ZINC000309802962 384626816 /nfs/dbraw/zinc/62/68/16/384626816.db2.gz WWZGLVHPELQPCC-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC(C)(C)C1 ZINC000309803206 388465929 /nfs/dbraw/zinc/46/59/29/388465929.db2.gz ROJUMURWESTMJQ-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC(C)(C)C1 ZINC000309803212 229468054 /nfs/dbraw/zinc/46/80/54/229468054.db2.gz ROJUMURWESTMJQ-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO CCCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000309803332 388465857 /nfs/dbraw/zinc/46/58/57/388465857.db2.gz YJBOPLCFBVVFKT-OWBHPGMISA-N 1 0 217.356 3.870 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309804938 491156870 /nfs/dbraw/zinc/15/68/70/491156870.db2.gz RXRNRQJSMKAOQG-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000309804939 491156887 /nfs/dbraw/zinc/15/68/87/491156887.db2.gz RXRNRQJSMKAOQG-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000309804941 491156900 /nfs/dbraw/zinc/15/69/00/491156900.db2.gz RXRNRQJSMKAOQG-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000309804943 491059062 /nfs/dbraw/zinc/05/90/62/491059062.db2.gz RXRNRQJSMKAOQG-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)C(F)(F)F ZINC000309804981 370263522 /nfs/dbraw/zinc/26/35/22/370263522.db2.gz XINZKBDVICXYCT-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)C(F)(F)F ZINC000309804983 370263452 /nfs/dbraw/zinc/26/34/52/370263452.db2.gz XINZKBDVICXYCT-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC1(C[NH2+]CC2CCC(F)(F)CC2)CCC1 ZINC000309805514 487724575 /nfs/dbraw/zinc/72/45/75/487724575.db2.gz SBLBLIOBSKIJOT-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C1(C2CC2)CC1 ZINC000309805665 387345459 /nfs/dbraw/zinc/34/54/59/387345459.db2.gz XOFPGKPRUWTSLY-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C1(C2CC2)CC1 ZINC000309805667 323608196 /nfs/dbraw/zinc/60/81/96/323608196.db2.gz XOFPGKPRUWTSLY-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C)c1cccc(Cl)c1 ZINC000309806407 388465349 /nfs/dbraw/zinc/46/53/49/388465349.db2.gz XSTPPOZFOCAKFH-GYSYKLTISA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1cccc(Cl)c1 ZINC000309806408 534122583 /nfs/dbraw/zinc/12/25/83/534122583.db2.gz XSTPPOZFOCAKFH-JTNHKYCSSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1cccc(Cl)c1 ZINC000309806409 388465373 /nfs/dbraw/zinc/46/53/73/388465373.db2.gz XSTPPOZFOCAKFH-MISXGVKJSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1cccc(Cl)c1 ZINC000309806410 229468417 /nfs/dbraw/zinc/46/84/17/229468417.db2.gz XSTPPOZFOCAKFH-WDMOLILDSA-N 1 0 237.774 3.832 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1scnc1C1CC1 ZINC000309806543 491156326 /nfs/dbraw/zinc/15/63/26/491156326.db2.gz SICIEMOWHQCQHI-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC1(C[NH2+]Cc2cc3c(s2)CCCC3)CC1 ZINC000309807269 259674460 /nfs/dbraw/zinc/67/44/60/259674460.db2.gz SMOZMUMJCBKAFF-UHFFFAOYSA-N 1 0 235.396 3.517 20 0 BHADRO CC1CC([NH2+]C2(c3ccc(Cl)cc3)CC2)C1 ZINC000309807321 388465436 /nfs/dbraw/zinc/46/54/36/388465436.db2.gz SNGUBHUOKRJMFV-UHFFFAOYSA-N 1 0 235.758 3.717 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000309808042 326169325 /nfs/dbraw/zinc/16/93/25/326169325.db2.gz SRADWLYIBVZLLP-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000309808043 326169140 /nfs/dbraw/zinc/16/91/40/326169140.db2.gz SRADWLYIBVZLLP-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309808056 491156422 /nfs/dbraw/zinc/15/64/22/491156422.db2.gz SRNLSMZGEGDRPB-QTAHKJALSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309808057 491156426 /nfs/dbraw/zinc/15/64/26/491156426.db2.gz SRNLSMZGEGDRPB-UZEXVOJHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309808058 491156387 /nfs/dbraw/zinc/15/63/87/491156387.db2.gz SRNLSMZGEGDRPB-VOBJUBJWSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309808059 491156383 /nfs/dbraw/zinc/15/63/83/491156383.db2.gz SRNLSMZGEGDRPB-ZYGVAYEYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](C[NH2+]CC1CCC(C)CC1)C(F)(F)F ZINC000309808148 168154793 /nfs/dbraw/zinc/15/47/93/168154793.db2.gz YGBJTVNHYFYPIU-HSOILSAZSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]CC1CCC(C)CC1)C(F)(F)F ZINC000309808149 168155241 /nfs/dbraw/zinc/15/52/41/168155241.db2.gz YGBJTVNHYFYPIU-YVNMAJEFSA-N 1 0 237.309 3.601 20 0 BHADRO Cc1cc(CC[NH2+]C2CC(C)C2)ccc1Cl ZINC000309808516 388465485 /nfs/dbraw/zinc/46/54/85/388465485.db2.gz SVGLQCKZPPIUMG-UHFFFAOYSA-N 1 0 237.774 3.579 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000309808537 388465751 /nfs/dbraw/zinc/46/57/51/388465751.db2.gz YIGCOCAXPSVXHS-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000309808539 388465296 /nfs/dbraw/zinc/46/52/96/388465296.db2.gz YIGCOCAXPSVXHS-NMFUWQPSSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000309808540 388465956 /nfs/dbraw/zinc/46/59/56/388465956.db2.gz YIGCOCAXPSVXHS-REBRKWNGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000309808542 388465526 /nfs/dbraw/zinc/46/55/26/388465526.db2.gz YIGCOCAXPSVXHS-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCC23CCC3)C[C@H](C)C1 ZINC000309808932 177066122 /nfs/dbraw/zinc/06/61/22/177066122.db2.gz SWVHAHAPYZMPIE-BZPMIXESSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)C[C@@H](C)C1 ZINC000309808934 177318821 /nfs/dbraw/zinc/31/88/21/177318821.db2.gz SWVHAHAPYZMPIE-DGAVXFQQSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCC23CCC3)C[C@H](C)C1 ZINC000309808937 177065190 /nfs/dbraw/zinc/06/51/90/177065190.db2.gz SWVHAHAPYZMPIE-YRGRVCCFSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)C[C@@H](C)C1 ZINC000309808939 177318266 /nfs/dbraw/zinc/31/82/66/177318266.db2.gz SWVHAHAPYZMPIE-ZOBORPQBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309809367 256527212 /nfs/dbraw/zinc/52/72/12/256527212.db2.gz TVENLNNIUKNQIW-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309809368 384417467 /nfs/dbraw/zinc/41/74/67/384417467.db2.gz TVENLNNIUKNQIW-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309809370 384417435 /nfs/dbraw/zinc/41/74/35/384417435.db2.gz TVENLNNIUKNQIW-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309809371 256527154 /nfs/dbraw/zinc/52/71/54/256527154.db2.gz TVENLNNIUKNQIW-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H]1C ZINC000309809393 384418923 /nfs/dbraw/zinc/41/89/23/384418923.db2.gz TVUDAEXJTNWHKV-JRKPZEMJSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H]1C ZINC000309809394 384417475 /nfs/dbraw/zinc/41/74/75/384417475.db2.gz TVUDAEXJTNWHKV-KKFJDGPESA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H]1C ZINC000309809395 384419856 /nfs/dbraw/zinc/41/98/56/384419856.db2.gz TVUDAEXJTNWHKV-VYUIOLGVSA-N 1 0 241.737 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H]1C ZINC000309809396 384419371 /nfs/dbraw/zinc/41/93/71/384419371.db2.gz TVUDAEXJTNWHKV-ZDMBXUJBSA-N 1 0 241.737 3.613 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810347 491156427 /nfs/dbraw/zinc/15/64/27/491156427.db2.gz UARGFXZGAHIBFE-BTDICHCPSA-N 1 0 221.319 3.669 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810349 491156416 /nfs/dbraw/zinc/15/64/16/491156416.db2.gz UARGFXZGAHIBFE-FJOGCWAESA-N 1 0 221.319 3.669 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810351 491156370 /nfs/dbraw/zinc/15/63/70/491156370.db2.gz UARGFXZGAHIBFE-FOQNGQEVSA-N 1 0 221.319 3.669 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810353 491156363 /nfs/dbraw/zinc/15/63/63/491156363.db2.gz UARGFXZGAHIBFE-FYJFLYSWSA-N 1 0 221.319 3.669 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000309810762 388465948 /nfs/dbraw/zinc/46/59/48/388465948.db2.gz UBSJSXITZAMXKC-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000309810763 388465583 /nfs/dbraw/zinc/46/55/83/388465583.db2.gz UBSJSXITZAMXKC-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000309810764 534257909 /nfs/dbraw/zinc/25/79/09/534257909.db2.gz UBSJSXITZAMXKC-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000309810765 388465630 /nfs/dbraw/zinc/46/56/30/388465630.db2.gz UBSJSXITZAMXKC-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO CCC(C)(C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000309811278 388465736 /nfs/dbraw/zinc/46/57/36/388465736.db2.gz UGMFDHQYIRGNRD-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CCC1CCC1 ZINC000309811403 633769437 /nfs/dbraw/zinc/76/94/37/633769437.db2.gz ZEEUDVDPVTXRPE-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CCC1CCC1 ZINC000309811404 633769204 /nfs/dbraw/zinc/76/92/04/633769204.db2.gz ZEEUDVDPVTXRPE-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309811549 167892527 /nfs/dbraw/zinc/89/25/27/167892527.db2.gz UINVXEXFIWGUDS-CYBMUJFWSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000309811550 167892267 /nfs/dbraw/zinc/89/22/67/167892267.db2.gz UINVXEXFIWGUDS-ZDUSSCGKSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309811921 388465409 /nfs/dbraw/zinc/46/54/09/388465409.db2.gz UKDBFSBDCKLRAK-BIGNPOOSSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309811923 388465725 /nfs/dbraw/zinc/46/57/25/388465725.db2.gz UKDBFSBDCKLRAK-FZQKWOKYSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309811924 388465598 /nfs/dbraw/zinc/46/55/98/388465598.db2.gz UKDBFSBDCKLRAK-IIMNLJJBSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309811925 388465964 /nfs/dbraw/zinc/46/59/64/388465964.db2.gz UKDBFSBDCKLRAK-OWYVNGRQSA-N 1 0 235.758 3.715 20 0 BHADRO CC1CC([NH2+]Cc2ccc3sccc3c2)C1 ZINC000309811973 528163698 /nfs/dbraw/zinc/16/36/98/528163698.db2.gz ULAZWMUIBPBNAU-UHFFFAOYSA-N 1 0 231.364 3.789 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2(C)CC2)c(C)c1 ZINC000309811982 384630597 /nfs/dbraw/zinc/63/05/97/384630597.db2.gz ULCVTEUFENSWLO-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000309811983 384628768 /nfs/dbraw/zinc/62/87/68/384628768.db2.gz ULCVTEUFENSWLO-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO CC1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000309812904 168044016 /nfs/dbraw/zinc/04/40/16/168044016.db2.gz UQJYVFZPIULQRW-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000309813829 491157126 /nfs/dbraw/zinc/15/71/26/491157126.db2.gz UVWRNYBOIVYMHF-JTQLQIEISA-N 1 0 240.416 3.928 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1csc(C)n1 ZINC000309813830 491157188 /nfs/dbraw/zinc/15/71/88/491157188.db2.gz UVWRNYBOIVYMHF-SNVBAGLBSA-N 1 0 240.416 3.928 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309814807 388465454 /nfs/dbraw/zinc/46/54/54/388465454.db2.gz AMLIQONZSZPADA-FRRDWIJNSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309814811 388465984 /nfs/dbraw/zinc/46/59/84/388465984.db2.gz AMLIQONZSZPADA-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309814814 388465478 /nfs/dbraw/zinc/46/54/78/388465478.db2.gz AMLIQONZSZPADA-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309814817 534003331 /nfs/dbraw/zinc/00/33/31/534003331.db2.gz AMLIQONZSZPADA-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000309815279 384436539 /nfs/dbraw/zinc/43/65/39/384436539.db2.gz VEEFBINPHIWGTK-DGAVXFQQSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000309815280 384436378 /nfs/dbraw/zinc/43/63/78/384436378.db2.gz VEEFBINPHIWGTK-FQUUOJAGSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000309815282 384435851 /nfs/dbraw/zinc/43/58/51/384435851.db2.gz VEEFBINPHIWGTK-RQJABVFESA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000309815283 384436185 /nfs/dbraw/zinc/43/61/85/384436185.db2.gz VEEFBINPHIWGTK-SYQHCUMBSA-N 1 0 221.388 3.733 20 0 BHADRO CCCCC[NH2+]Cc1ccc2occc2c1 ZINC000309816088 528214403 /nfs/dbraw/zinc/21/44/03/528214403.db2.gz AVCPLLDOSLGELY-UHFFFAOYSA-N 1 0 217.312 3.713 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc2sccc2c1 ZINC000309816873 229469079 /nfs/dbraw/zinc/46/90/79/229469079.db2.gz VKQBZSCJPYPKKB-GWCFXTLKSA-N 1 0 231.364 3.647 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc2sccc2c1 ZINC000309816874 388465821 /nfs/dbraw/zinc/46/58/21/388465821.db2.gz VKQBZSCJPYPKKB-GXFFZTMASA-N 1 0 231.364 3.647 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc2sccc2c1 ZINC000309816875 388465637 /nfs/dbraw/zinc/46/56/37/388465637.db2.gz VKQBZSCJPYPKKB-MFKMUULPSA-N 1 0 231.364 3.647 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2sccc2c1 ZINC000309816876 388465718 /nfs/dbraw/zinc/46/57/18/388465718.db2.gz VKQBZSCJPYPKKB-ZWNOBZJWSA-N 1 0 231.364 3.647 20 0 BHADRO CC1(C)CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000309816917 384636949 /nfs/dbraw/zinc/63/69/49/384636949.db2.gz VLMAKQBRAVXYBO-UHFFFAOYSA-N 1 0 227.367 3.827 20 0 BHADRO CC1([NH2+]CCc2ccc(F)cc2Cl)CCC1 ZINC000309818137 259343937 /nfs/dbraw/zinc/34/39/37/259343937.db2.gz VTMTVBRVGRNKNE-UHFFFAOYSA-N 1 0 241.737 3.554 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2s1)C1CC1 ZINC000309819280 384434890 /nfs/dbraw/zinc/43/48/90/384434890.db2.gz VZNJRCUBDLGLTQ-JTQLQIEISA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2s1)C1CC1 ZINC000309819282 384434423 /nfs/dbraw/zinc/43/44/23/384434423.db2.gz VZNJRCUBDLGLTQ-SNVBAGLBSA-N 1 0 231.364 3.789 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(Cl)nc1 ZINC000309820516 633784517 /nfs/dbraw/zinc/78/45/17/633784517.db2.gz DZYQWHZAASLENO-UHFFFAOYSA-N 1 0 240.778 3.649 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000309820583 323613807 /nfs/dbraw/zinc/61/38/07/323613807.db2.gz WEUGJIUUKDJVIF-JTQLQIEISA-N 1 0 235.293 3.663 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000309820584 387353284 /nfs/dbraw/zinc/35/32/84/387353284.db2.gz WEUGJIUUKDJVIF-SNVBAGLBSA-N 1 0 235.293 3.663 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCC12CCC2 ZINC000309821832 388465336 /nfs/dbraw/zinc/46/53/36/388465336.db2.gz WMPPXJVQBZSFEZ-JHJVBQTASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309821834 388465451 /nfs/dbraw/zinc/46/54/51/388465451.db2.gz WMPPXJVQBZSFEZ-RFQIPJPRSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309821836 388465433 /nfs/dbraw/zinc/46/54/33/388465433.db2.gz WMPPXJVQBZSFEZ-RQJABVFESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCC12CCC2 ZINC000309821839 388465503 /nfs/dbraw/zinc/46/55/03/388465503.db2.gz WMPPXJVQBZSFEZ-UPJWGTAASA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000309821924 388465934 /nfs/dbraw/zinc/46/59/34/388465934.db2.gz WOQVJVMQRIKBKT-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000309821925 529047833 /nfs/dbraw/zinc/04/78/33/529047833.db2.gz WOQVJVMQRIKBKT-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)C(F)F ZINC000309822482 491157369 /nfs/dbraw/zinc/15/73/69/491157369.db2.gz WRCUKNXRJHAKAC-GHMZBOCLSA-N 1 0 231.330 3.612 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C)(C)C(F)F ZINC000309822484 491157288 /nfs/dbraw/zinc/15/72/88/491157288.db2.gz WRCUKNXRJHAKAC-MNOVXSKESA-N 1 0 231.330 3.612 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C)(C)C(F)F ZINC000309822486 491157364 /nfs/dbraw/zinc/15/73/64/491157364.db2.gz WRCUKNXRJHAKAC-QWRGUYRKSA-N 1 0 231.330 3.612 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C)(C)C(F)F ZINC000309822488 491157347 /nfs/dbraw/zinc/15/73/47/491157347.db2.gz WRCUKNXRJHAKAC-WDEREUQCSA-N 1 0 231.330 3.612 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309823969 388465810 /nfs/dbraw/zinc/46/58/10/388465810.db2.gz WYHOBDXQVYAGHS-CYBMUJFWSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309823971 388465947 /nfs/dbraw/zinc/46/59/47/388465947.db2.gz WYHOBDXQVYAGHS-ZDUSSCGKSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@]12C[C@@H]1CCC[C@H]2[NH2+]CC1(C)CCCC1 ZINC000309824010 229469987 /nfs/dbraw/zinc/46/99/87/229469987.db2.gz WYTMBEZFEYDGBH-GZBFAFLISA-N 1 0 221.388 3.735 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C)CCCC1 ZINC000309824012 534189254 /nfs/dbraw/zinc/18/92/54/534189254.db2.gz WYTMBEZFEYDGBH-NFAWXSAZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309826810 388465724 /nfs/dbraw/zinc/46/57/24/388465724.db2.gz XMPGQXZFBJHALD-BJBXXJATSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309826812 388465689 /nfs/dbraw/zinc/46/56/89/388465689.db2.gz XMPGQXZFBJHALD-FONWIUJUSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309826814 388465959 /nfs/dbraw/zinc/46/59/59/388465959.db2.gz XMPGQXZFBJHALD-VEESAYDSSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309826815 533831449 /nfs/dbraw/zinc/83/14/49/533831449.db2.gz XMPGQXZFBJHALD-WPTOEGHWSA-N 1 0 221.388 3.589 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309827147 491157376 /nfs/dbraw/zinc/15/73/76/491157376.db2.gz XNGKVMPYDHVYAU-GFCCVEGCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000309827150 491157392 /nfs/dbraw/zinc/15/73/92/491157392.db2.gz XNGKVMPYDHVYAU-LBPRGKRZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000309827627 176396604 /nfs/dbraw/zinc/39/66/04/176396604.db2.gz XRFIRHDEXKHTLG-HTQZYQBOSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000309827628 177345421 /nfs/dbraw/zinc/34/54/21/177345421.db2.gz XRFIRHDEXKHTLG-JGVFFNPUSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000309827629 176440336 /nfs/dbraw/zinc/44/03/36/176440336.db2.gz XRFIRHDEXKHTLG-SFYZADRCSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000309827630 177381641 /nfs/dbraw/zinc/38/16/41/177381641.db2.gz XRFIRHDEXKHTLG-YUMQZZPRSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1(C)CC1 ZINC000309828943 633788711 /nfs/dbraw/zinc/78/87/11/633788711.db2.gz XZEPPTLEKKUSLD-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1(C)CC1 ZINC000309828945 633788214 /nfs/dbraw/zinc/78/82/14/633788214.db2.gz XZEPPTLEKKUSLD-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C[NH2+]CCCSc2ccccc2)CC1 ZINC000309829453 326169667 /nfs/dbraw/zinc/16/96/67/326169667.db2.gz YDYUOCZANKVYKC-UHFFFAOYSA-N 1 0 235.396 3.559 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309829467 176144026 /nfs/dbraw/zinc/14/40/26/176144026.db2.gz YEVKPZONWHAAFF-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)CC1 ZINC000309829468 176124377 /nfs/dbraw/zinc/12/43/77/176124377.db2.gz YEVKPZONWHAAFF-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000309829470 176124609 /nfs/dbraw/zinc/12/46/09/176124609.db2.gz YEVKPZONWHAAFF-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)CC1 ZINC000309829471 176145358 /nfs/dbraw/zinc/14/53/58/176145358.db2.gz YEVKPZONWHAAFF-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309829905 388465264 /nfs/dbraw/zinc/46/52/64/388465264.db2.gz YHEIEUORDSYVML-CYBMUJFWSA-N 1 0 231.364 3.789 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000309829906 388465852 /nfs/dbraw/zinc/46/58/52/388465852.db2.gz YHEIEUORDSYVML-ZDUSSCGKSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)C1CC1 ZINC000309829924 388465356 /nfs/dbraw/zinc/46/53/56/388465356.db2.gz YHNFYDUNMWRWFF-SSDOTTSWSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)C1CC1 ZINC000309829925 388465677 /nfs/dbraw/zinc/46/56/77/388465677.db2.gz YHNFYDUNMWRWFF-ZETCQYMHSA-N 1 0 245.700 3.506 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000309830482 398043558 /nfs/dbraw/zinc/04/35/58/398043558.db2.gz YJFWJDDULRKJFP-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000309830483 398043601 /nfs/dbraw/zinc/04/36/01/398043601.db2.gz YJFWJDDULRKJFP-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000309830484 398043842 /nfs/dbraw/zinc/04/38/42/398043842.db2.gz YJFWJDDULRKJFP-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000309830485 398043703 /nfs/dbraw/zinc/04/37/03/398043703.db2.gz YJFWJDDULRKJFP-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000309831034 633790810 /nfs/dbraw/zinc/79/08/10/633790810.db2.gz YMZZTUQRTQXTSA-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309831056 529028394 /nfs/dbraw/zinc/02/83/94/529028394.db2.gz YNHJHNXJSHIQKC-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000309831057 529029369 /nfs/dbraw/zinc/02/93/69/529029369.db2.gz YNHJHNXJSHIQKC-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000309831059 384434240 /nfs/dbraw/zinc/43/42/40/384434240.db2.gz YNHJHNXJSHIQKC-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000309831060 529048986 /nfs/dbraw/zinc/04/89/86/529048986.db2.gz YNHJHNXJSHIQKC-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO COc1ccsc1C[NH2+]C(C)(C)C(C)(C)C ZINC000309831409 388467086 /nfs/dbraw/zinc/46/70/86/388467086.db2.gz KLIQOXTYRZQBOL-UHFFFAOYSA-N 1 0 241.400 3.671 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000309831916 633810331 /nfs/dbraw/zinc/81/03/31/633810331.db2.gz YSXLBHLIUXRSEU-FEWQNLEASA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000309831917 632672013 /nfs/dbraw/zinc/67/20/13/632672013.db2.gz YSXLBHLIUXRSEU-FGZQJIAISA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000309831918 633809803 /nfs/dbraw/zinc/80/98/03/633809803.db2.gz YSXLBHLIUXRSEU-JLVJUDLZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000309831919 633810612 /nfs/dbraw/zinc/81/06/12/633810612.db2.gz YSXLBHLIUXRSEU-LQULJDIASA-N 1 0 221.388 3.735 20 0 BHADRO CC1CC([NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000309831955 168146412 /nfs/dbraw/zinc/14/64/12/168146412.db2.gz YTXYTFRNIJSLIX-UHFFFAOYSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000309833033 491156880 /nfs/dbraw/zinc/15/68/80/491156880.db2.gz ZDMDNPVPHIADDX-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000309833034 491156872 /nfs/dbraw/zinc/15/68/72/491156872.db2.gz ZDMDNPVPHIADDX-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000309833035 491156861 /nfs/dbraw/zinc/15/68/61/491156861.db2.gz ZDMDNPVPHIADDX-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000309833036 491059169 /nfs/dbraw/zinc/05/91/69/491059169.db2.gz ZDMDNPVPHIADDX-QCNOEVLYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCCc1cccc(Cl)c1 ZINC000309833618 388467016 /nfs/dbraw/zinc/46/70/16/388467016.db2.gz ZHPNEDGUALLIDE-AAEUAGOBSA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCCc1cccc(Cl)c1 ZINC000309833619 388467124 /nfs/dbraw/zinc/46/71/24/388467124.db2.gz ZHPNEDGUALLIDE-DGCLKSJQSA-N 1 0 237.774 3.518 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCCc1cccc(Cl)c1 ZINC000309833620 229471420 /nfs/dbraw/zinc/47/14/20/229471420.db2.gz ZHPNEDGUALLIDE-WCQYABFASA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCCc1cccc(Cl)c1 ZINC000309833621 534028844 /nfs/dbraw/zinc/02/88/44/534028844.db2.gz ZHPNEDGUALLIDE-YPMHNXCESA-N 1 0 237.774 3.518 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000309834222 533831679 /nfs/dbraw/zinc/83/16/79/533831679.db2.gz ZPKBMTSJAQJBDJ-IWIIMEHWSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(Cl)o1 ZINC000309834224 533730793 /nfs/dbraw/zinc/73/07/93/533730793.db2.gz ZPKBMTSJAQJBDJ-NXEZZACHSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(Cl)o1 ZINC000309834226 229471001 /nfs/dbraw/zinc/47/10/01/229471001.db2.gz ZPKBMTSJAQJBDJ-UWVGGRQHSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000309834276 533879329 /nfs/dbraw/zinc/87/93/29/533879329.db2.gz ZQKCTFKMPTVPEN-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000309834278 388466870 /nfs/dbraw/zinc/46/68/70/388466870.db2.gz ZQKCTFKMPTVPEN-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000309834279 388466771 /nfs/dbraw/zinc/46/67/71/388466771.db2.gz ZQKCTFKMPTVPEN-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000309834281 388466800 /nfs/dbraw/zinc/46/68/00/388466800.db2.gz ZQKCTFKMPTVPEN-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000309834534 491156908 /nfs/dbraw/zinc/15/69/08/491156908.db2.gz ZTTVUJIJNZTNBQ-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC000309834535 491156892 /nfs/dbraw/zinc/15/68/92/491156892.db2.gz ZTTVUJIJNZTNBQ-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO CCC(C)(C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000309834799 528562879 /nfs/dbraw/zinc/56/28/79/528562879.db2.gz ZVFZITHBKLDHGW-ACCUITESSA-N 1 0 217.356 3.868 20 0 BHADRO CCC(C)(C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000309834800 388466989 /nfs/dbraw/zinc/46/69/89/388466989.db2.gz ZVFZITHBKLDHGW-QBFSEMIESA-N 1 0 217.356 3.868 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cccnc1 ZINC000309835081 168278266 /nfs/dbraw/zinc/27/82/66/168278266.db2.gz ZXYLCMSDOWZGLX-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cccnc1 ZINC000309835082 168276015 /nfs/dbraw/zinc/27/60/15/168276015.db2.gz ZXYLCMSDOWZGLX-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000309835146 388466459 /nfs/dbraw/zinc/46/64/59/388466459.db2.gz ZZRWWWPVLJDCNF-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000309835147 534258071 /nfs/dbraw/zinc/25/80/71/534258071.db2.gz ZZRWWWPVLJDCNF-VOAKCMCISA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000309835148 388466982 /nfs/dbraw/zinc/46/69/82/388466982.db2.gz ZZRWWWPVLJDCNF-XQHKEYJVSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000309835149 388466751 /nfs/dbraw/zinc/46/67/51/388466751.db2.gz ZZRWWWPVLJDCNF-YVECIDJPSA-N 1 0 241.444 3.685 20 0 BHADRO CCSc1cccc(C[NH2+]CC2CCC2)c1 ZINC000309835901 384657344 /nfs/dbraw/zinc/65/73/44/384657344.db2.gz BATIFEBHASVALH-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO CSC1(C[NH2+]CC2(C)CCC(C)CC2)CC1 ZINC000309836841 175450498 /nfs/dbraw/zinc/45/04/98/175450498.db2.gz BMQHKHQEIYTPKH-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000309838418 384434535 /nfs/dbraw/zinc/43/45/35/384434535.db2.gz BUGNBQFDRYVUGS-UHFFFAOYSA-N 1 0 221.319 3.595 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2occc2C)CC1 ZINC000309840100 384434710 /nfs/dbraw/zinc/43/47/10/384434710.db2.gz OHGUNHSFNUMPJU-JOCQHMNTSA-N 1 0 221.344 3.646 20 0 BHADRO CSC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC000309840367 533509650 /nfs/dbraw/zinc/50/96/50/533509650.db2.gz CWZNGBSELJWUOA-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CSc1ccc(C[NH2+]CCC=C(C)C)cc1 ZINC000309840769 384434697 /nfs/dbraw/zinc/43/46/97/384434697.db2.gz DBSHOZHVRWUHMT-UHFFFAOYSA-N 1 0 235.396 3.854 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)s1 ZINC000309841034 229594249 /nfs/dbraw/zinc/59/42/49/229594249.db2.gz DEQDIDXTLZXCDI-CHWSQXEVSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)s1 ZINC000309841035 534089792 /nfs/dbraw/zinc/08/97/92/534089792.db2.gz DEQDIDXTLZXCDI-OLZOCXBDSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000309841036 384444888 /nfs/dbraw/zinc/44/48/88/384444888.db2.gz DEQDIDXTLZXCDI-QWHCGFSZSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000309841037 534090914 /nfs/dbraw/zinc/09/09/14/534090914.db2.gz DEQDIDXTLZXCDI-STQMWFEESA-N 1 0 237.412 3.971 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)C)C(C)(C)C ZINC000309841307 384443548 /nfs/dbraw/zinc/44/35/48/384443548.db2.gz DHWFEFNVTFAGOJ-FRRDWIJNSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)C)C(C)(C)C ZINC000309841308 229594834 /nfs/dbraw/zinc/59/48/34/229594834.db2.gz DHWFEFNVTFAGOJ-JHJVBQTASA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@H]1C(C)C)C(C)(C)C ZINC000309841309 229594237 /nfs/dbraw/zinc/59/42/37/229594237.db2.gz DHWFEFNVTFAGOJ-RWMBFGLXSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)C(C)(C)C ZINC000309841310 384444600 /nfs/dbraw/zinc/44/46/00/384444600.db2.gz DHWFEFNVTFAGOJ-YNEHKIRRSA-N 1 0 243.460 3.788 20 0 BHADRO CCCC(CCC)[NH2+]CCCc1nccs1 ZINC000309842065 388466482 /nfs/dbraw/zinc/46/64/82/388466482.db2.gz DTZFZAMYVRLRKL-UHFFFAOYSA-N 1 0 240.416 3.634 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1nccs1 ZINC000309842067 491156977 /nfs/dbraw/zinc/15/69/77/491156977.db2.gz DUIMWALUSJFEKB-GRYCIOLGSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1nccs1 ZINC000309842068 491156944 /nfs/dbraw/zinc/15/69/44/491156944.db2.gz DUIMWALUSJFEKB-SDDRHHMPSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1nccs1 ZINC000309842069 491156920 /nfs/dbraw/zinc/15/69/20/491156920.db2.gz DUIMWALUSJFEKB-SRVKXCTJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1nccs1 ZINC000309842070 491156923 /nfs/dbraw/zinc/15/69/23/491156923.db2.gz DUIMWALUSJFEKB-WOPDTQHZSA-N 1 0 238.400 3.618 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CC1CCC1 ZINC000309842446 384664003 /nfs/dbraw/zinc/66/40/03/384664003.db2.gz DZJRRAUUDIOSIL-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000309842800 388466794 /nfs/dbraw/zinc/46/67/94/388466794.db2.gz FAHGFDKEVKWDHH-RFQIPJPRSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000309842806 533993601 /nfs/dbraw/zinc/99/36/01/533993601.db2.gz FAHGFDKEVKWDHH-XDQVBPFNSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000309842809 533991954 /nfs/dbraw/zinc/99/19/54/533991954.db2.gz FAHGFDKEVKWDHH-YIYPIFLZSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000309842810 388466888 /nfs/dbraw/zinc/46/68/88/388466888.db2.gz FAHGFDKEVKWDHH-ZOBORPQBSA-N 1 0 241.444 3.685 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000309842826 632675154 /nfs/dbraw/zinc/67/51/54/632675154.db2.gz FBCDPVDMWPKSIC-CHWSQXEVSA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000309842827 632675509 /nfs/dbraw/zinc/67/55/09/632675509.db2.gz FBCDPVDMWPKSIC-OLZOCXBDSA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000309842828 632674620 /nfs/dbraw/zinc/67/46/20/632674620.db2.gz FBCDPVDMWPKSIC-QWHCGFSZSA-N 1 0 241.444 3.710 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000309842829 634025208 /nfs/dbraw/zinc/02/52/08/634025208.db2.gz FBCDPVDMWPKSIC-STQMWFEESA-N 1 0 241.444 3.710 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)C2CCCCC2)CC1 ZINC000309843411 370268694 /nfs/dbraw/zinc/26/86/94/370268694.db2.gz FIOKGQJJZKOIDO-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)C2CCCCC2)CC1 ZINC000309843413 370268801 /nfs/dbraw/zinc/26/88/01/370268801.db2.gz FIOKGQJJZKOIDO-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000309843568 191067712 /nfs/dbraw/zinc/06/77/12/191067712.db2.gz FJBUTXPIFHVLIR-GHMZBOCLSA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000309843569 384665102 /nfs/dbraw/zinc/66/51/02/384665102.db2.gz FJBUTXPIFHVLIR-MNOVXSKESA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000309843570 384664798 /nfs/dbraw/zinc/66/47/98/384664798.db2.gz FJBUTXPIFHVLIR-QWRGUYRKSA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000309843572 384665170 /nfs/dbraw/zinc/66/51/70/384665170.db2.gz FJBUTXPIFHVLIR-WDEREUQCSA-N 1 0 241.375 3.807 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309844530 388466657 /nfs/dbraw/zinc/46/66/57/388466657.db2.gz FXVFMHJAQQQGPZ-AXFHLTTASA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000309844531 388467089 /nfs/dbraw/zinc/46/70/89/388467089.db2.gz FXVFMHJAQQQGPZ-DCAQKATOSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000309844532 388466826 /nfs/dbraw/zinc/46/68/26/388466826.db2.gz FXVFMHJAQQQGPZ-GARJFASQSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000309844533 388466972 /nfs/dbraw/zinc/46/69/72/388466972.db2.gz FXVFMHJAQQQGPZ-HBNTYKKESA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000309845657 487727041 /nfs/dbraw/zinc/72/70/41/487727041.db2.gz SXSZWYWDKRIISI-AVGNSLFASA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000309845658 490111625 /nfs/dbraw/zinc/11/16/25/490111625.db2.gz SXSZWYWDKRIISI-RWMBFGLXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000309845659 490111787 /nfs/dbraw/zinc/11/17/87/490111787.db2.gz SXSZWYWDKRIISI-XQQFMLRXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000309845660 490111758 /nfs/dbraw/zinc/11/17/58/490111758.db2.gz SXSZWYWDKRIISI-YNEHKIRRSA-N 1 0 229.383 3.929 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1Cl ZINC000309845808 384666606 /nfs/dbraw/zinc/66/66/06/384666606.db2.gz GKSHGVPXMXJXQD-NEPJUHHUSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1Cl ZINC000309845809 384667049 /nfs/dbraw/zinc/66/70/49/384667049.db2.gz GKSHGVPXMXJXQD-NWDGAFQWSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1Cl ZINC000309845810 384666833 /nfs/dbraw/zinc/66/68/33/384666833.db2.gz GKSHGVPXMXJXQD-RYUDHWBXSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1Cl ZINC000309845811 178626950 /nfs/dbraw/zinc/62/69/50/178626950.db2.gz GKSHGVPXMXJXQD-VXGBXAGGSA-N 1 0 241.737 3.629 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2csc(C)n2)CC1 ZINC000309846207 384444396 /nfs/dbraw/zinc/44/43/96/384444396.db2.gz UBADUCVIRURJQE-HAQNSBGRSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@](C)([NH2+]CCC1CC1)c1ccccc1 ZINC000309846359 633835558 /nfs/dbraw/zinc/83/55/58/633835558.db2.gz GUNBWERWRMKBGP-HNNXBMFYSA-N 1 0 217.356 3.702 20 0 BHADRO CC[C@@](C)([NH2+]CCC1CC1)c1ccccc1 ZINC000309846360 633836129 /nfs/dbraw/zinc/83/61/29/633836129.db2.gz GUNBWERWRMKBGP-OAHLLOKOSA-N 1 0 217.356 3.702 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000309846661 397869713 /nfs/dbraw/zinc/86/97/13/397869713.db2.gz GVIWWHHUVDZPLY-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000309846662 397870029 /nfs/dbraw/zinc/87/00/29/397870029.db2.gz GVIWWHHUVDZPLY-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CCC12CCC2)C(C)(C)C ZINC000309846663 397869582 /nfs/dbraw/zinc/86/95/82/397869582.db2.gz GVIWWHHUVDZPLY-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC12CCC2)C(C)(C)C ZINC000309846664 397870057 /nfs/dbraw/zinc/87/00/57/397870057.db2.gz GVIWWHHUVDZPLY-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000309846692 397869947 /nfs/dbraw/zinc/86/99/47/397869947.db2.gz GVWLPJMNSUQRKD-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000309847207 527999650 /nfs/dbraw/zinc/99/96/50/527999650.db2.gz HDXYVLLPBAXPMW-CYBMUJFWSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000309847208 528000497 /nfs/dbraw/zinc/00/04/97/528000497.db2.gz HDXYVLLPBAXPMW-ZDUSSCGKSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309848449 179541629 /nfs/dbraw/zinc/54/16/29/179541629.db2.gz HUXHYTGPMRIXCY-CYBMUJFWSA-N 1 0 235.396 3.521 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CCC12CCC2 ZINC000309848450 384873570 /nfs/dbraw/zinc/87/35/70/384873570.db2.gz HUXHYTGPMRIXCY-ZDUSSCGKSA-N 1 0 235.396 3.521 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000309848477 384667101 /nfs/dbraw/zinc/66/71/01/384667101.db2.gz HWCWYCCUFUZUJP-FPMFFAJLSA-N 1 0 235.396 3.540 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000309848478 384667248 /nfs/dbraw/zinc/66/72/48/384667248.db2.gz HWCWYCCUFUZUJP-IACUBPJLSA-N 1 0 235.396 3.540 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000309848479 384667502 /nfs/dbraw/zinc/66/75/02/384667502.db2.gz HWCWYCCUFUZUJP-KWCYVHTRSA-N 1 0 235.396 3.540 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000309848480 175552898 /nfs/dbraw/zinc/55/28/98/175552898.db2.gz HWCWYCCUFUZUJP-MRVWCRGKSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1cc(C[NH2+]Cc2cscc2C)c(C)o1 ZINC000309848918 633840799 /nfs/dbraw/zinc/84/07/99/633840799.db2.gz ICLKSDJSCONTSN-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000309849470 175924282 /nfs/dbraw/zinc/92/42/82/175924282.db2.gz IJRWCFIRXPBIOB-OCCSQVGLSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000309849471 384666665 /nfs/dbraw/zinc/66/66/65/384666665.db2.gz IJRWCFIRXPBIOB-TZMCWYRMSA-N 1 0 215.340 3.670 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC1(C)CCC1 ZINC000309851135 384445122 /nfs/dbraw/zinc/44/51/22/384445122.db2.gz XUJWVQHHVWRTIY-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC1(C)CCC1 ZINC000309851140 529227911 /nfs/dbraw/zinc/22/79/11/529227911.db2.gz XUJWVQHHVWRTIY-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000309851143 384444258 /nfs/dbraw/zinc/44/42/58/384444258.db2.gz XUJWVQHHVWRTIY-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000309851145 529227081 /nfs/dbraw/zinc/22/70/81/529227081.db2.gz XUJWVQHHVWRTIY-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000309851195 384443512 /nfs/dbraw/zinc/44/35/12/384443512.db2.gz IZIPTBOPEXHVQK-NEPJUHHUSA-N 1 0 223.360 3.687 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000309851196 384443850 /nfs/dbraw/zinc/44/38/50/384443850.db2.gz IZIPTBOPEXHVQK-NWDGAFQWSA-N 1 0 223.360 3.687 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000309851198 384444910 /nfs/dbraw/zinc/44/49/10/384444910.db2.gz IZIPTBOPEXHVQK-RYUDHWBXSA-N 1 0 223.360 3.687 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000309851199 528900535 /nfs/dbraw/zinc/90/05/35/528900535.db2.gz IZIPTBOPEXHVQK-VXGBXAGGSA-N 1 0 223.360 3.687 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C)(C)C2)c(C)c1 ZINC000309851805 229472090 /nfs/dbraw/zinc/47/20/90/229472090.db2.gz JCTUGULJLIXEEJ-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C1CC(C)(C)C1 ZINC000309852414 347187892 /nfs/dbraw/zinc/18/78/92/347187892.db2.gz JJHBLPLLJKBTKE-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)s1 ZINC000309853253 388467009 /nfs/dbraw/zinc/46/70/09/388467009.db2.gz JMMQXXBXRYCPHW-BNOWGMLFSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)s1 ZINC000309853259 388467032 /nfs/dbraw/zinc/46/70/32/388467032.db2.gz JMMQXXBXRYCPHW-IACUBPJLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCC2(C)CC2)c1 ZINC000309854084 384670443 /nfs/dbraw/zinc/67/04/43/384670443.db2.gz JTJZUBRZCDWWQY-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000309854149 388467101 /nfs/dbraw/zinc/46/71/01/388467101.db2.gz JWGRGBJCZIHTFP-MOENNCHZSA-N 1 0 235.396 3.858 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1ccc(F)cc1F ZINC000309855253 384669614 /nfs/dbraw/zinc/66/96/14/384669614.db2.gz KCTRQBGIELEXDR-CYBMUJFWSA-N 1 0 225.282 3.558 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1ccc(F)cc1F ZINC000309855254 384670566 /nfs/dbraw/zinc/67/05/66/384670566.db2.gz KCTRQBGIELEXDR-ZDUSSCGKSA-N 1 0 225.282 3.558 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000309855825 384669393 /nfs/dbraw/zinc/66/93/93/384669393.db2.gz KIGNQKJCGLMSIB-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000309855826 384673498 /nfs/dbraw/zinc/67/34/98/384673498.db2.gz KIGNQKJCGLMSIB-AVGNSLFASA-N 1 0 241.444 3.544 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000309855827 384875988 /nfs/dbraw/zinc/87/59/88/384875988.db2.gz KIGNQKJCGLMSIB-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000309855828 384673409 /nfs/dbraw/zinc/67/34/09/384673409.db2.gz KIGNQKJCGLMSIB-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCCSC1 ZINC000309855851 388466998 /nfs/dbraw/zinc/46/69/98/388466998.db2.gz KJGIHAVXRAJNBV-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000309855852 388466892 /nfs/dbraw/zinc/46/68/92/388466892.db2.gz KJGIHAVXRAJNBV-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309856354 388466740 /nfs/dbraw/zinc/46/67/40/388466740.db2.gz KNRAVDPPKJDPKZ-IPYPFGDCSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309856355 388466928 /nfs/dbraw/zinc/46/69/28/388466928.db2.gz KNRAVDPPKJDPKZ-KCQAQPDRSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000309856356 388467039 /nfs/dbraw/zinc/46/70/39/388467039.db2.gz KNRAVDPPKJDPKZ-VNHYZAJKSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309856357 388466938 /nfs/dbraw/zinc/46/69/38/388466938.db2.gz KNRAVDPPKJDPKZ-YDHLFZDLSA-N 1 0 217.356 3.753 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309857502 388466603 /nfs/dbraw/zinc/46/66/03/388466603.db2.gz LERHYZXRUGLSDT-AXFHLTTASA-N 1 0 239.325 3.988 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309857503 256610040 /nfs/dbraw/zinc/61/00/40/256610040.db2.gz LERHYZXRUGLSDT-DCAQKATOSA-N 1 0 239.325 3.988 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309857505 388467116 /nfs/dbraw/zinc/46/71/16/388467116.db2.gz LERHYZXRUGLSDT-GARJFASQSA-N 1 0 239.325 3.988 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309857507 388466340 /nfs/dbraw/zinc/46/63/40/388466340.db2.gz LERHYZXRUGLSDT-HBNTYKKESA-N 1 0 239.325 3.988 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000309860158 388466554 /nfs/dbraw/zinc/46/65/54/388466554.db2.gz MCIUZCNBGNJTPN-AAEUAGOBSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000309860161 388466286 /nfs/dbraw/zinc/46/62/86/388466286.db2.gz MCIUZCNBGNJTPN-DGCLKSJQSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000309860165 388467083 /nfs/dbraw/zinc/46/70/83/388467083.db2.gz MCIUZCNBGNJTPN-WCQYABFASA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000309860169 388466978 /nfs/dbraw/zinc/46/69/78/388466978.db2.gz MCIUZCNBGNJTPN-YPMHNXCESA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309861607 384672426 /nfs/dbraw/zinc/67/24/26/384672426.db2.gz MWJMHQSNJPXMLO-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309861608 384672285 /nfs/dbraw/zinc/67/22/85/384672285.db2.gz MWJMHQSNJPXMLO-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309861609 384673270 /nfs/dbraw/zinc/67/32/70/384673270.db2.gz MWJMHQSNJPXMLO-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000309861610 175569724 /nfs/dbraw/zinc/56/97/24/175569724.db2.gz MWJMHQSNJPXMLO-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000309861928 491157660 /nfs/dbraw/zinc/15/76/60/491157660.db2.gz MYCVSCDVRNEBBU-HTAVTVPLSA-N 1 0 231.330 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC000309861931 491157635 /nfs/dbraw/zinc/15/76/35/491157635.db2.gz MYCVSCDVRNEBBU-MCIGGMRASA-N 1 0 231.330 3.733 20 0 BHADRO CCC1(C[NH2+]C2CCSCC2)CCCCC1 ZINC000309865034 527745735 /nfs/dbraw/zinc/74/57/35/527745735.db2.gz OFAGHSAHZZBYEI-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000309865657 388466476 /nfs/dbraw/zinc/46/64/76/388466476.db2.gz OLGSIINWTFLSEU-AAEUAGOBSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000309865658 388466945 /nfs/dbraw/zinc/46/69/45/388466945.db2.gz OLGSIINWTFLSEU-DGCLKSJQSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000309865659 388466973 /nfs/dbraw/zinc/46/69/73/388466973.db2.gz OLGSIINWTFLSEU-WCQYABFASA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000309865660 533929195 /nfs/dbraw/zinc/92/91/95/533929195.db2.gz OLGSIINWTFLSEU-YPMHNXCESA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309866160 343071416 /nfs/dbraw/zinc/07/14/16/343071416.db2.gz OQRWKZDQLYKZGD-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309866164 343071101 /nfs/dbraw/zinc/07/11/01/343071101.db2.gz OQRWKZDQLYKZGD-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CCC1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000309867693 384449294 /nfs/dbraw/zinc/44/92/94/384449294.db2.gz PGJQEUGZNLEGAA-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO CS[C@@H](C[NH2+]C1CC(C(C)C)C1)C(C)(C)C ZINC000309868749 388467400 /nfs/dbraw/zinc/46/74/00/388467400.db2.gz PQIRBPNFZBRQLE-BPCQOVAHSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](C[NH2+]C1CC(C(C)C)C1)C(C)(C)C ZINC000309868750 229472847 /nfs/dbraw/zinc/47/28/47/229472847.db2.gz PQIRBPNFZBRQLE-WXRRBKDZSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](CNc1cc(C)cc[nH+]1)C(C)(C)C ZINC000309868758 388467763 /nfs/dbraw/zinc/46/77/63/388467763.db2.gz PQXUPNQGBDZVQA-LLVKDONJSA-N 1 0 238.400 3.580 20 0 BHADRO CS[C@@H](CNc1cc(C)cc[nH+]1)C(C)(C)C ZINC000309868759 388467944 /nfs/dbraw/zinc/46/79/44/388467944.db2.gz PQXUPNQGBDZVQA-NSHDSACASA-N 1 0 238.400 3.580 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]C(C)(C)CF ZINC000309869178 388467606 /nfs/dbraw/zinc/46/76/06/388467606.db2.gz PVBPWVPIKVAJEK-UHFFFAOYSA-N 1 0 243.753 3.795 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCCCF)c1 ZINC000309869321 487728554 /nfs/dbraw/zinc/72/85/54/487728554.db2.gz PYRYGSPTOLEKTF-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1C ZINC000309871092 175551693 /nfs/dbraw/zinc/55/16/93/175551693.db2.gz QREUCXONLDHLIU-KWCYVHTRSA-N 1 0 235.396 3.540 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000309871093 384680134 /nfs/dbraw/zinc/68/01/34/384680134.db2.gz QREUCXONLDHLIU-MRVWCRGKSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)s1 ZINC000309871094 384678772 /nfs/dbraw/zinc/67/87/72/384678772.db2.gz QRJHFGFLGSPGHT-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CC3)CC2)cc1Cl ZINC000309872156 370271083 /nfs/dbraw/zinc/27/10/83/370271083.db2.gz RAUFAQLQPIIHQD-UHFFFAOYSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000309872609 178066490 /nfs/dbraw/zinc/06/64/90/178066490.db2.gz RGCAGIIMNPXLKP-CHWSQXEVSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000309872610 178067800 /nfs/dbraw/zinc/06/78/00/178067800.db2.gz RGCAGIIMNPXLKP-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000309872611 178066737 /nfs/dbraw/zinc/06/67/37/178066737.db2.gz RGCAGIIMNPXLKP-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000309872612 178067769 /nfs/dbraw/zinc/06/77/69/178067769.db2.gz RGCAGIIMNPXLKP-STQMWFEESA-N 1 0 241.737 3.629 20 0 BHADRO CC[C@@H](N[C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000309874410 388467457 /nfs/dbraw/zinc/46/74/57/388467457.db2.gz RZWRFQQIMGOODM-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000309875462 633888597 /nfs/dbraw/zinc/88/85/97/633888597.db2.gz SMGBBDRNHFTYQS-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CSC1(C[NH2+]CCCCC2CCCC2)CC1 ZINC000309876350 533509558 /nfs/dbraw/zinc/50/95/58/533509558.db2.gz SUCSHLFMDLUHQB-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309879297 491157867 /nfs/dbraw/zinc/15/78/67/491157867.db2.gz URRFNUTZPFWTQI-QJPTWQEYSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309879298 491157889 /nfs/dbraw/zinc/15/78/89/491157889.db2.gz URRFNUTZPFWTQI-SDDRHHMPSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309879299 491157831 /nfs/dbraw/zinc/15/78/31/491157831.db2.gz URRFNUTZPFWTQI-SRVKXCTJSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309879300 491157852 /nfs/dbraw/zinc/15/78/52/491157852.db2.gz URRFNUTZPFWTQI-TUAOUCFPSA-N 1 0 233.346 3.979 20 0 BHADRO CS[C@H](C[NH2+]C(C1CC1)C1CC1)C(C)(C)C ZINC000309879558 326169715 /nfs/dbraw/zinc/16/97/15/326169715.db2.gz UUZPIGHRVXVQFG-GFCCVEGCSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@@H](C[NH2+]C(C1CC1)C1CC1)C(C)(C)C ZINC000309879559 326169711 /nfs/dbraw/zinc/16/97/11/326169711.db2.gz UUZPIGHRVXVQFG-LBPRGKRZSA-N 1 0 241.444 3.542 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309879667 634034005 /nfs/dbraw/zinc/03/40/05/634034005.db2.gz UXWQBQAGIFBBEI-DMDPSCGWSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309879671 634032830 /nfs/dbraw/zinc/03/28/30/634032830.db2.gz UXWQBQAGIFBBEI-LOWVWBTDSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309879679 711696843 /nfs/dbraw/zinc/69/68/43/711696843.db2.gz UXWQBQAGIFBBEI-WZRBSPASSA-N 1 0 235.396 3.858 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)c1ccoc1)C(C)(C)C ZINC000309880471 326173717 /nfs/dbraw/zinc/17/37/17/326173717.db2.gz VDBQJRMWLOWRAY-CMPLNLGQSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)c1ccoc1)C(C)(C)C ZINC000309880472 326173756 /nfs/dbraw/zinc/17/37/56/326173756.db2.gz VDBQJRMWLOWRAY-JQWIXIFHSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)c1ccoc1)C(C)(C)C ZINC000309880473 326173752 /nfs/dbraw/zinc/17/37/52/326173752.db2.gz VDBQJRMWLOWRAY-PWSUYJOCSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)c1ccoc1)C(C)(C)C ZINC000309880474 326173793 /nfs/dbraw/zinc/17/37/93/326173793.db2.gz VDBQJRMWLOWRAY-ZYHUDNBSSA-N 1 0 241.400 3.708 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]CCCCF ZINC000309880970 384461636 /nfs/dbraw/zinc/46/16/36/384461636.db2.gz VITAXUDJORBNPQ-UHFFFAOYSA-N 1 0 243.753 3.796 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309881927 491157532 /nfs/dbraw/zinc/15/75/32/491157532.db2.gz VWCRUYIMQRYRIO-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309881928 491157559 /nfs/dbraw/zinc/15/75/59/491157559.db2.gz VWCRUYIMQRYRIO-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309881929 491157501 /nfs/dbraw/zinc/15/75/01/491157501.db2.gz VWCRUYIMQRYRIO-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309881930 491157533 /nfs/dbraw/zinc/15/75/33/491157533.db2.gz VWCRUYIMQRYRIO-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO Cc1c[nH+]ccc1NC1CCC2(CC2)CC1 ZINC000309882585 384690909 /nfs/dbraw/zinc/69/09/09/384690909.db2.gz WFAZWCGBQOSFBF-UHFFFAOYSA-N 1 0 216.328 3.525 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1C ZINC000309882587 229473271 /nfs/dbraw/zinc/47/32/71/229473271.db2.gz WFDJMTYGCYYSPT-CORIIIEPSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1C ZINC000309882588 388468143 /nfs/dbraw/zinc/46/81/43/388468143.db2.gz WFDJMTYGCYYSPT-OSAQELSMSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1C ZINC000309882589 229473811 /nfs/dbraw/zinc/47/38/11/229473811.db2.gz WFDJMTYGCYYSPT-WHOFXGATSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1C ZINC000309882590 229473176 /nfs/dbraw/zinc/47/31/76/229473176.db2.gz WFDJMTYGCYYSPT-ZLDLUXBVSA-N 1 0 217.356 3.753 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCC1 ZINC000309882621 388467861 /nfs/dbraw/zinc/46/78/61/388467861.db2.gz WGNUOGQRDMXIRG-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCC1 ZINC000309882622 388467350 /nfs/dbraw/zinc/46/73/50/388467350.db2.gz WGNUOGQRDMXIRG-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309883492 370271949 /nfs/dbraw/zinc/27/19/49/370271949.db2.gz WWBYSMOBTNJGSB-WDNDVIMCSA-N 1 0 235.758 3.537 20 0 BHADRO CS[C@H](C[NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000309884372 388467408 /nfs/dbraw/zinc/46/74/08/388467408.db2.gz XJOSVBSJXMHUFR-CHWSQXEVSA-N 1 0 241.444 3.710 20 0 BHADRO CS[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C(C)(C)C ZINC000309884373 388467530 /nfs/dbraw/zinc/46/75/30/388467530.db2.gz XJOSVBSJXMHUFR-OLZOCXBDSA-N 1 0 241.444 3.710 20 0 BHADRO CS[C@H](C[NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000309884374 229473608 /nfs/dbraw/zinc/47/36/08/229473608.db2.gz XJOSVBSJXMHUFR-QWHCGFSZSA-N 1 0 241.444 3.710 20 0 BHADRO CS[C@@H](C[NH2+]C[C@H]1CC=CCC1)C(C)(C)C ZINC000309884375 388468026 /nfs/dbraw/zinc/46/80/26/388468026.db2.gz XJOSVBSJXMHUFR-STQMWFEESA-N 1 0 241.444 3.710 20 0 BHADRO CSC1(C[NH2+]CC2(CC(C)C)CCC2)CC1 ZINC000309884415 384692348 /nfs/dbraw/zinc/69/23/48/384692348.db2.gz XLJKOYYPWWKNBH-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@H]2CCCC[C@H]2C)CC1 ZINC000309885216 388467857 /nfs/dbraw/zinc/46/78/57/388467857.db2.gz XVJOXRNNWRCPNP-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@@H]2CCCC[C@H]2C)CC1 ZINC000309885218 388467538 /nfs/dbraw/zinc/46/75/38/388467538.db2.gz XVJOXRNNWRCPNP-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@H]2CCCC[C@@H]2C)CC1 ZINC000309885220 533509471 /nfs/dbraw/zinc/50/94/71/533509471.db2.gz XVJOXRNNWRCPNP-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000309885221 533510235 /nfs/dbraw/zinc/51/02/35/533510235.db2.gz XVJOXRNNWRCPNP-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1CC(F)(F)C1 ZINC000309885337 528630836 /nfs/dbraw/zinc/63/08/36/528630836.db2.gz XYLZFUPIHXTXDU-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000309885794 384888142 /nfs/dbraw/zinc/88/81/42/384888142.db2.gz YDSPZPGXVOVXPY-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000309885797 384692257 /nfs/dbraw/zinc/69/22/57/384692257.db2.gz YDSPZPGXVOVXPY-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000309886765 388467792 /nfs/dbraw/zinc/46/77/92/388467792.db2.gz YURIAOGPBXXOFQ-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309886769 533572398 /nfs/dbraw/zinc/57/23/98/533572398.db2.gz YURIAOGPBXXOFQ-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CSCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000309887785 633906575 /nfs/dbraw/zinc/90/65/75/633906575.db2.gz ZALMGXGEEZZIIZ-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309888488 388467610 /nfs/dbraw/zinc/46/76/10/388467610.db2.gz ZKIVCIYIZRUMJI-GRYCIOLGSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000309888489 533057306 /nfs/dbraw/zinc/05/73/06/533057306.db2.gz ZKIVCIYIZRUMJI-IJLUTSLNSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309888490 533057742 /nfs/dbraw/zinc/05/77/42/533057742.db2.gz ZKIVCIYIZRUMJI-QJPTWQEYSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000309888491 533061316 /nfs/dbraw/zinc/06/13/16/533061316.db2.gz ZKIVCIYIZRUMJI-SDDRHHMPSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309888492 533060047 /nfs/dbraw/zinc/06/00/47/533060047.db2.gz ZKIVCIYIZRUMJI-SRVKXCTJSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309888493 533057565 /nfs/dbraw/zinc/05/75/65/533057565.db2.gz ZKIVCIYIZRUMJI-TUAOUCFPSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309888494 384463009 /nfs/dbraw/zinc/46/30/09/384463009.db2.gz ZKIVCIYIZRUMJI-UTUOFQBUSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000309888495 384460532 /nfs/dbraw/zinc/46/05/32/384460532.db2.gz ZKIVCIYIZRUMJI-WOPDTQHZSA-N 1 0 235.396 3.715 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CCC2)cc1Cl ZINC000309889332 326174091 /nfs/dbraw/zinc/17/40/91/326174091.db2.gz ZREJFERWWPPRSI-SECBINFHSA-N 1 0 239.746 3.552 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CCC2)cc1Cl ZINC000309889333 326174074 /nfs/dbraw/zinc/17/40/74/326174074.db2.gz ZREJFERWWPPRSI-VIFPVBQESA-N 1 0 239.746 3.552 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1cscn1 ZINC000309890125 388468011 /nfs/dbraw/zinc/46/80/11/388468011.db2.gz CCQORHHCSVTKRP-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cccs1 ZINC000309890607 491157874 /nfs/dbraw/zinc/15/78/74/491157874.db2.gz CIFBZCIIZDCFMO-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO C[C@H]([NH2+]CCCOC(C)(C)C)c1cccs1 ZINC000309890608 491157837 /nfs/dbraw/zinc/15/78/37/491157837.db2.gz CIFBZCIIZDCFMO-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCC2)oc1C ZINC000309891784 490260091 /nfs/dbraw/zinc/26/00/91/490260091.db2.gz CVMHPLQHVDMMMU-GHMZBOCLSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CCC2)oc1C ZINC000309891785 490260151 /nfs/dbraw/zinc/26/01/51/490260151.db2.gz CVMHPLQHVDMMMU-MNOVXSKESA-N 1 0 221.344 3.736 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000309892568 384841023 /nfs/dbraw/zinc/84/10/23/384841023.db2.gz DGZNELRKDIJRPC-UHFFFAOYSA-N 1 0 237.412 3.933 20 0 BHADRO CSC1(C[NH2+]C2CCC3(CC3)CC2)CCC1 ZINC000309892960 384695392 /nfs/dbraw/zinc/69/53/92/384695392.db2.gz DLFJDEUIXRJTGV-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO CSCc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000309893682 384694589 /nfs/dbraw/zinc/69/45/89/384694589.db2.gz DUQZFWUDNQFGCA-GFCCVEGCSA-N 1 0 237.412 3.684 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000309893683 175531187 /nfs/dbraw/zinc/53/11/87/175531187.db2.gz DUQZFWUDNQFGCA-LBPRGKRZSA-N 1 0 237.412 3.684 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000309893911 175584286 /nfs/dbraw/zinc/58/42/86/175584286.db2.gz DZJRRAUUDIOSIL-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO Cc1cc(CC[NH2+]CC2(C)CC2)ccc1Cl ZINC000309895054 370273905 /nfs/dbraw/zinc/27/39/05/370273905.db2.gz FRBJGEGDIUBKDE-UHFFFAOYSA-N 1 0 237.774 3.581 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CC1CCCC1 ZINC000309898251 384468983 /nfs/dbraw/zinc/46/89/83/384468983.db2.gz GSCBDJUZKCWUIY-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000309898253 384468597 /nfs/dbraw/zinc/46/85/97/384468597.db2.gz GSCBDJUZKCWUIY-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000309899120 388468757 /nfs/dbraw/zinc/46/87/57/388468757.db2.gz YNNNLWHOUWHWLM-CYBMUJFWSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000309899121 388468521 /nfs/dbraw/zinc/46/85/21/388468521.db2.gz YNNNLWHOUWHWLM-ZDUSSCGKSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000309899449 370273645 /nfs/dbraw/zinc/27/36/45/370273645.db2.gz JVUWKQAIGXWJRY-JTQLQIEISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000309899450 370273498 /nfs/dbraw/zinc/27/34/98/370273498.db2.gz JVUWKQAIGXWJRY-SNVBAGLBSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309900620 529290466 /nfs/dbraw/zinc/29/04/66/529290466.db2.gz SVXKHPUCNFDPKQ-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309900621 388469011 /nfs/dbraw/zinc/46/90/11/388469011.db2.gz SVXKHPUCNFDPKQ-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309900622 529282960 /nfs/dbraw/zinc/28/29/60/529282960.db2.gz SVXKHPUCNFDPKQ-XQQFMLRXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309900623 388468447 /nfs/dbraw/zinc/46/84/47/388468447.db2.gz SVXKHPUCNFDPKQ-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000309900681 388468682 /nfs/dbraw/zinc/46/86/82/388468682.db2.gz VNBVEAQTBSTQBE-AGIUHOORSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000309900682 388468823 /nfs/dbraw/zinc/46/88/23/388468823.db2.gz VNBVEAQTBSTQBE-FRRDWIJNSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000309900683 229474353 /nfs/dbraw/zinc/47/43/53/229474353.db2.gz VNBVEAQTBSTQBE-JHJVBQTASA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000309900684 384468831 /nfs/dbraw/zinc/46/88/31/384468831.db2.gz VNBVEAQTBSTQBE-UPJWGTAASA-N 1 0 245.357 3.838 20 0 BHADRO CSCc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000309901942 343568146 /nfs/dbraw/zinc/56/81/46/343568146.db2.gz IDMZIAXHDUJINL-UHFFFAOYSA-N 1 0 237.412 3.685 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000309902313 634040325 /nfs/dbraw/zinc/04/03/25/634040325.db2.gz IILRIEXNEGKHGY-GYSYKLTISA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000309902315 633918569 /nfs/dbraw/zinc/91/85/69/633918569.db2.gz IILRIEXNEGKHGY-JTNHKYCSSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000309902318 633918482 /nfs/dbraw/zinc/91/84/82/633918482.db2.gz IILRIEXNEGKHGY-MISXGVKJSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000309902320 634039301 /nfs/dbraw/zinc/03/93/01/634039301.db2.gz IILRIEXNEGKHGY-WDMOLILDSA-N 1 0 235.396 3.858 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903384 491157989 /nfs/dbraw/zinc/15/79/89/491157989.db2.gz IXDZTRPRYAFSLQ-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903385 491157983 /nfs/dbraw/zinc/15/79/83/491157983.db2.gz IXDZTRPRYAFSLQ-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903386 491158010 /nfs/dbraw/zinc/15/80/10/491158010.db2.gz IXDZTRPRYAFSLQ-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C1CCC1 ZINC000309903387 491158005 /nfs/dbraw/zinc/15/80/05/491158005.db2.gz IXDZTRPRYAFSLQ-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCCC1CC1 ZINC000309903434 350825483 /nfs/dbraw/zinc/82/54/83/350825483.db2.gz IZLDDXYIUDRUIS-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000309903435 350825205 /nfs/dbraw/zinc/82/52/05/350825205.db2.gz IZLDDXYIUDRUIS-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000309906094 388468724 /nfs/dbraw/zinc/46/87/24/388468724.db2.gz KIBDEDHDONKBMM-CYUUQNCZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000309906095 388468917 /nfs/dbraw/zinc/46/89/17/388468917.db2.gz KIBDEDHDONKBMM-MXAVVETBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309906096 388468657 /nfs/dbraw/zinc/46/86/57/388468657.db2.gz KIBDEDHDONKBMM-NGFQHRJXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000309906097 229475016 /nfs/dbraw/zinc/47/50/16/229475016.db2.gz KIBDEDHDONKBMM-NMFUWQPSSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000309906437 388469186 /nfs/dbraw/zinc/46/91/86/388469186.db2.gz KJGIHAVXRAJNBV-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCCSC1 ZINC000309906438 229474374 /nfs/dbraw/zinc/47/43/74/229474374.db2.gz KJGIHAVXRAJNBV-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO CCSc1cccc(C[NH2+]C(C)(C)CF)c1 ZINC000309906480 384711381 /nfs/dbraw/zinc/71/13/81/384711381.db2.gz KLBPQQVIKSDEMH-UHFFFAOYSA-N 1 0 241.375 3.636 20 0 BHADRO CSCc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC000309909597 633930442 /nfs/dbraw/zinc/93/04/42/633930442.db2.gz LVRDDYSLPXRSKW-UHFFFAOYSA-N 1 0 235.396 3.605 20 0 BHADRO CCSCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309909889 259378680 /nfs/dbraw/zinc/37/86/80/259378680.db2.gz MANBVVLBUQAJMX-UHFFFAOYSA-N 1 0 237.412 3.573 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000309910718 384705188 /nfs/dbraw/zinc/70/51/88/384705188.db2.gz MNQZBCBQSUFIKL-GWCFXTLKSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000309910719 384706450 /nfs/dbraw/zinc/70/64/50/384706450.db2.gz MNQZBCBQSUFIKL-GXFFZTMASA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000309910720 384705316 /nfs/dbraw/zinc/70/53/16/384705316.db2.gz MNQZBCBQSUFIKL-MFKMUULPSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000309910721 384706569 /nfs/dbraw/zinc/70/65/69/384706569.db2.gz MNQZBCBQSUFIKL-ZWNOBZJWSA-N 1 0 235.396 3.858 20 0 BHADRO CCSc1cccc(C[NH2+]C2CCCC2)c1 ZINC000309911163 343568736 /nfs/dbraw/zinc/56/87/36/343568736.db2.gz MUTGJLJJWXUOJT-UHFFFAOYSA-N 1 0 235.396 3.831 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000309911164 384706323 /nfs/dbraw/zinc/70/63/23/384706323.db2.gz MUTLNQZRTNBNCZ-LLVKDONJSA-N 1 0 235.396 3.859 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000309911165 175584484 /nfs/dbraw/zinc/58/44/84/175584484.db2.gz MUTLNQZRTNBNCZ-NSHDSACASA-N 1 0 235.396 3.859 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309911901 384705799 /nfs/dbraw/zinc/70/57/99/384705799.db2.gz NDVWAGDFSHWGFP-FPMFFAJLSA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309911903 170643986 /nfs/dbraw/zinc/64/39/86/170643986.db2.gz NDVWAGDFSHWGFP-IACUBPJLSA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309911905 170643730 /nfs/dbraw/zinc/64/37/30/170643730.db2.gz NDVWAGDFSHWGFP-UBHSHLNASA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309911907 170643999 /nfs/dbraw/zinc/64/39/99/170643999.db2.gz NDVWAGDFSHWGFP-YUTCNCBUSA-N 1 0 241.444 3.686 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCC1CCC1 ZINC000309912518 711698861 /nfs/dbraw/zinc/69/88/61/711698861.db2.gz NLVAMCJXMGHROG-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000309912519 711698958 /nfs/dbraw/zinc/69/89/58/711698958.db2.gz NLVAMCJXMGHROG-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO CCSc1cccc(C[NH2+]C2(C)CCC2)c1 ZINC000309912874 384707734 /nfs/dbraw/zinc/70/77/34/384707734.db2.gz NQOILBOMZCUHRX-UHFFFAOYSA-N 1 0 235.396 3.831 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000309914203 533000904 /nfs/dbraw/zinc/00/09/04/533000904.db2.gz OJOMOXQQXSJPLF-NQBHXWOUSA-N 1 0 235.396 3.715 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000309914205 490143251 /nfs/dbraw/zinc/14/32/51/490143251.db2.gz OJOMOXQQXSJPLF-WZRBSPASSA-N 1 0 235.396 3.715 20 0 BHADRO CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000309914445 388469183 /nfs/dbraw/zinc/46/91/83/388469183.db2.gz ONDVYJPDHBDPDE-UHFFFAOYSA-N 1 0 217.356 3.542 20 0 BHADRO CSc1cccc(F)c1C[NH2+]C1CCCC1 ZINC000309914642 384708504 /nfs/dbraw/zinc/70/85/04/384708504.db2.gz OPVXHRRREQENLC-UHFFFAOYSA-N 1 0 239.359 3.580 20 0 BHADRO CCC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000309917376 634044138 /nfs/dbraw/zinc/04/41/38/634044138.db2.gz QEIPLNXDJPQAEG-UHFFFAOYSA-N 1 0 217.356 3.764 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000309917702 384722646 /nfs/dbraw/zinc/72/26/46/384722646.db2.gz QGAWWVXULHFTER-CYBMUJFWSA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2CC2(C)C)c1 ZINC000309917703 170655917 /nfs/dbraw/zinc/65/59/17/170655917.db2.gz QGAWWVXULHFTER-ZDUSSCGKSA-N 1 0 235.396 3.687 20 0 BHADRO CSC1(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CCC1 ZINC000309917715 322921790 /nfs/dbraw/zinc/92/17/90/322921790.db2.gz QGQPYRUIVSDCRV-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CCC1 ZINC000309917716 384471649 /nfs/dbraw/zinc/47/16/49/384471649.db2.gz QGQPYRUIVSDCRV-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CCC1 ZINC000309917717 384471926 /nfs/dbraw/zinc/47/19/26/384471926.db2.gz QGQPYRUIVSDCRV-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CCC1 ZINC000309917718 322921675 /nfs/dbraw/zinc/92/16/75/322921675.db2.gz QGQPYRUIVSDCRV-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CCSc1cccc(C[NH2+]CCCCF)c1 ZINC000309917753 384723338 /nfs/dbraw/zinc/72/33/38/384723338.db2.gz QIVPWKZZVFJJCF-UHFFFAOYSA-N 1 0 241.375 3.638 20 0 BHADRO CSc1cc(C)ccc1C[NH2+]CC1(C)CC1 ZINC000309920284 323082794 /nfs/dbraw/zinc/08/27/94/323082794.db2.gz RPQIVCUYQZNSPO-UHFFFAOYSA-N 1 0 235.396 3.607 20 0 BHADRO CCCc1csc(C[NH2+]CCCC(C)C)n1 ZINC000309920842 188000812 /nfs/dbraw/zinc/00/08/12/188000812.db2.gz RYZMLFUUBAQSHC-UHFFFAOYSA-N 1 0 240.416 3.621 20 0 BHADRO CCC[NH2+][C@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000309921361 259325288 /nfs/dbraw/zinc/32/52/88/259325288.db2.gz SGBOBBQDKDSMCZ-DZGCQCFKSA-N 1 0 217.356 3.620 20 0 BHADRO CCC[NH2+][C@@]1(c2cccc(C)c2)C[C@H]1CC ZINC000309921362 259325313 /nfs/dbraw/zinc/32/53/13/259325313.db2.gz SGBOBBQDKDSMCZ-HIFRSBDPSA-N 1 0 217.356 3.620 20 0 BHADRO CCC[NH2+][C@]1(c2cccc(C)c2)C[C@H]1CC ZINC000309921363 259325324 /nfs/dbraw/zinc/32/53/24/259325324.db2.gz SGBOBBQDKDSMCZ-UKRRQHHQSA-N 1 0 217.356 3.620 20 0 BHADRO CCC[NH2+][C@@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000309921364 259325287 /nfs/dbraw/zinc/32/52/87/259325287.db2.gz SGBOBBQDKDSMCZ-ZFWWWQNUSA-N 1 0 217.356 3.620 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000309922051 170656608 /nfs/dbraw/zinc/65/66/08/170656608.db2.gz SQEWMISEBDEGMZ-BXUZGUMPSA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309922053 384719703 /nfs/dbraw/zinc/71/97/03/384719703.db2.gz SQEWMISEBDEGMZ-FZMZJTMJSA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309922055 384718001 /nfs/dbraw/zinc/71/80/01/384718001.db2.gz SQEWMISEBDEGMZ-RISCZKNCSA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309922057 384719989 /nfs/dbraw/zinc/71/99/89/384719989.db2.gz SQEWMISEBDEGMZ-SMDDNHRTSA-N 1 0 235.396 3.687 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCC=C(C)C ZINC000309922752 388468570 /nfs/dbraw/zinc/46/85/70/388468570.db2.gz TUDWMABYCIUIQO-LLVKDONJSA-N 1 0 239.384 3.764 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCC=C(C)C ZINC000309922756 388468383 /nfs/dbraw/zinc/46/83/83/388468383.db2.gz TUDWMABYCIUIQO-NSHDSACASA-N 1 0 239.384 3.764 20 0 BHADRO CCSCc1ccnc(N[C@@H]2CC[C@@H]2C)c1 ZINC000309925844 633947225 /nfs/dbraw/zinc/94/72/25/633947225.db2.gz VEVPTTCYCWCJDP-CMPLNLGQSA-N 1 0 236.384 3.545 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccoc1 ZINC000309926618 633949068 /nfs/dbraw/zinc/94/90/68/633949068.db2.gz VMJYCJANKSYMOJ-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccoc1 ZINC000309926619 633949703 /nfs/dbraw/zinc/94/97/03/633949703.db2.gz VMJYCJANKSYMOJ-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO CSc1ccc(CC[NH2+]CC(C)(C)C)cc1 ZINC000309926630 388468495 /nfs/dbraw/zinc/46/84/95/388468495.db2.gz VMYLFRVYUSZVKA-UHFFFAOYSA-N 1 0 237.412 3.587 20 0 BHADRO CCSc1cccc(C[NH2+]C2CC(C)C2)c1 ZINC000309926667 384726244 /nfs/dbraw/zinc/72/62/44/384726244.db2.gz VOVWUKPSULQARJ-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO CCSc1cccc(C[NH2+]CC=C(C)C)c1 ZINC000309927827 388469023 /nfs/dbraw/zinc/46/90/23/388469023.db2.gz WFDHUUNSQFFUTA-UHFFFAOYSA-N 1 0 235.396 3.854 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1cncs1 ZINC000309929386 388468731 /nfs/dbraw/zinc/46/87/31/388468731.db2.gz XBZBJRWWGSTDCF-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000309931314 388468597 /nfs/dbraw/zinc/46/85/97/388468597.db2.gz YAVZTGWHCSCLSJ-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000309931317 388468743 /nfs/dbraw/zinc/46/87/43/388468743.db2.gz YAVZTGWHCSCLSJ-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000309931320 388468583 /nfs/dbraw/zinc/46/85/83/388468583.db2.gz YAVZTGWHCSCLSJ-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000309931323 388468996 /nfs/dbraw/zinc/46/89/96/388468996.db2.gz YAVZTGWHCSCLSJ-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccco1 ZINC000309933741 388468374 /nfs/dbraw/zinc/46/83/74/388468374.db2.gz ZADYGUJCFDMKPD-GFCCVEGCSA-N 1 0 221.344 3.728 20 0 BHADRO CSCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000309936247 633961060 /nfs/dbraw/zinc/96/10/60/633961060.db2.gz ZXOVVWFWTXOUMA-UHFFFAOYSA-N 1 0 237.412 3.685 20 0 BHADRO CSCc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000309936430 384925813 /nfs/dbraw/zinc/92/58/13/384925813.db2.gz ZZYZRNXQBSIKOD-UHFFFAOYSA-N 1 0 235.396 3.582 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(C)(C)C ZINC000309936954 259325320 /nfs/dbraw/zinc/32/53/20/259325320.db2.gz AGFXDTYXRSOXFR-AGIUHOORSA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(C)(C)C ZINC000309936956 259325343 /nfs/dbraw/zinc/32/53/43/259325343.db2.gz AGFXDTYXRSOXFR-AVGNSLFASA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(C)(C)C ZINC000309936959 259325344 /nfs/dbraw/zinc/32/53/44/259325344.db2.gz AGFXDTYXRSOXFR-UPJWGTAASA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(C)(C)C ZINC000309936961 259325300 /nfs/dbraw/zinc/32/53/00/259325300.db2.gz AGFXDTYXRSOXFR-XQQFMLRXSA-N 1 0 243.460 3.931 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000309938063 491158569 /nfs/dbraw/zinc/15/85/69/491158569.db2.gz ANHSVRNMPGPMTH-AHPWVWPOSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000309938065 491158580 /nfs/dbraw/zinc/15/85/80/491158580.db2.gz ANHSVRNMPGPMTH-NELGMTEASA-N 1 0 241.444 3.829 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000309938066 491158553 /nfs/dbraw/zinc/15/85/53/491158553.db2.gz ANHSVRNMPGPMTH-RJZJGCCBSA-N 1 0 241.444 3.829 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000309938068 491158545 /nfs/dbraw/zinc/15/85/45/491158545.db2.gz ANHSVRNMPGPMTH-ZIHBUVQPSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000309938445 384929424 /nfs/dbraw/zinc/92/94/24/384929424.db2.gz AQKIPZVVNYBVFS-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000309940830 347203729 /nfs/dbraw/zinc/20/37/29/347203729.db2.gz BNHQBAPCGUFZKS-GFCCVEGCSA-N 1 0 235.396 3.899 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000309940831 370276261 /nfs/dbraw/zinc/27/62/61/370276261.db2.gz BNHQBAPCGUFZKS-LBPRGKRZSA-N 1 0 235.396 3.899 20 0 BHADRO CCc1cccnc1N[C@@H]1CC=C(C)CC1 ZINC000309940882 323122246 /nfs/dbraw/zinc/12/22/46/323122246.db2.gz BOCZLUNNFJRFMG-CYBMUJFWSA-N 1 0 216.328 3.555 20 0 BHADRO CCc1cccnc1N[C@H]1CC=C(C)CC1 ZINC000309940884 323122248 /nfs/dbraw/zinc/12/22/48/323122248.db2.gz BOCZLUNNFJRFMG-ZDUSSCGKSA-N 1 0 216.328 3.555 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000309944558 634048261 /nfs/dbraw/zinc/04/82/61/634048261.db2.gz CUHGGXFPHIJQDM-JTQLQIEISA-N 1 0 241.762 3.718 20 0 BHADRO CCC[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000309944561 633967219 /nfs/dbraw/zinc/96/72/19/633967219.db2.gz CUHGGXFPHIJQDM-SNVBAGLBSA-N 1 0 241.762 3.718 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000309946260 528562841 /nfs/dbraw/zinc/56/28/41/528562841.db2.gz DMDCMGLFAAUVNC-LLVKDONJSA-N 1 0 223.335 3.707 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000309946261 388469541 /nfs/dbraw/zinc/46/95/41/388469541.db2.gz DMDCMGLFAAUVNC-NSHDSACASA-N 1 0 223.335 3.707 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309947795 388470198 /nfs/dbraw/zinc/47/01/98/388470198.db2.gz DYULTDKNXGRRDT-CYBMUJFWSA-N 1 0 219.372 3.643 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309947797 388469723 /nfs/dbraw/zinc/46/97/23/388469723.db2.gz DYULTDKNXGRRDT-ZDUSSCGKSA-N 1 0 219.372 3.643 20 0 BHADRO CCc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000309950451 343104407 /nfs/dbraw/zinc/10/44/07/343104407.db2.gz FVPKHOQBTYWVTI-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1csc(C[NH2+]C2(CC)CCC2)n1 ZINC000309951454 384737767 /nfs/dbraw/zinc/73/77/67/384737767.db2.gz GFRUMZKJQVUSGZ-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000309952621 343108329 /nfs/dbraw/zinc/10/83/29/343108329.db2.gz GVTUGTPFPUWHBZ-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CCc1ccc(C[NH2+]C(C(C)C)C(C)C)o1 ZINC000309954817 491158864 /nfs/dbraw/zinc/15/88/64/491158864.db2.gz HULMTXXSORQUDG-UHFFFAOYSA-N 1 0 223.360 3.612 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC23CCC3)s1 ZINC000309958021 384741060 /nfs/dbraw/zinc/74/10/60/384741060.db2.gz JNTLELVWMWFNDK-CYBMUJFWSA-N 1 0 235.396 3.733 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC23CCC3)s1 ZINC000309958022 171811558 /nfs/dbraw/zinc/81/15/58/171811558.db2.gz JNTLELVWMWFNDK-ZDUSSCGKSA-N 1 0 235.396 3.733 20 0 BHADRO C/C=C\C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000309960308 344151187 /nfs/dbraw/zinc/15/11/87/344151187.db2.gz KTCXSXYVKABGPL-PLNGDYQASA-N 1 0 217.356 3.518 20 0 BHADRO C/C=C/C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000309960309 344151165 /nfs/dbraw/zinc/15/11/65/344151165.db2.gz KTCXSXYVKABGPL-SNAWJCMRSA-N 1 0 217.356 3.518 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000309960463 633985841 /nfs/dbraw/zinc/98/58/41/633985841.db2.gz KWBKLKQFCIYSMY-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000309960663 491158428 /nfs/dbraw/zinc/15/84/28/491158428.db2.gz KYKFSTBXMPCQSK-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000309960664 491158427 /nfs/dbraw/zinc/15/84/27/491158427.db2.gz KYKFSTBXMPCQSK-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000309960666 491158412 /nfs/dbraw/zinc/15/84/12/491158412.db2.gz KYKFSTBXMPCQSK-NDBYEHHHSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000309960667 491158426 /nfs/dbraw/zinc/15/84/26/491158426.db2.gz KYKFSTBXMPCQSK-VOAKCMCISA-N 1 0 241.444 3.685 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000309963972 343114027 /nfs/dbraw/zinc/11/40/27/343114027.db2.gz MQRPZJDKVRABMF-FAAWYNLUSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000309963974 343114270 /nfs/dbraw/zinc/11/42/70/343114270.db2.gz MQRPZJDKVRABMF-GWQWAINWSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000309963975 343114356 /nfs/dbraw/zinc/11/43/56/343114356.db2.gz MQRPZJDKVRABMF-MPNWYJEXSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000309963977 347207638 /nfs/dbraw/zinc/20/76/38/347207638.db2.gz MQRPZJDKVRABMF-XYBNCVKDSA-N 1 0 215.340 3.694 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000309964257 384529638 /nfs/dbraw/zinc/52/96/38/384529638.db2.gz MSNCAQGKKFZPIP-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)s1 ZINC000309965011 388470072 /nfs/dbraw/zinc/47/00/72/388470072.db2.gz NAVWYIVDVNLBPZ-KBPBESRZSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)s1 ZINC000309965012 388470194 /nfs/dbraw/zinc/47/01/94/388470194.db2.gz NAVWYIVDVNLBPZ-KGLIPLIRSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)s1 ZINC000309965013 388469659 /nfs/dbraw/zinc/46/96/59/388469659.db2.gz NAVWYIVDVNLBPZ-UONOGXRCSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)s1 ZINC000309965014 388469512 /nfs/dbraw/zinc/46/95/12/388469512.db2.gz NAVWYIVDVNLBPZ-ZIAGYGMSSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1cccc(F)c1C[NH2+]CC(C)(C)C ZINC000309965600 388469971 /nfs/dbraw/zinc/46/99/71/388469971.db2.gz NGDOKQXPTPHVMW-UHFFFAOYSA-N 1 0 223.335 3.524 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000309967644 388469957 /nfs/dbraw/zinc/46/99/57/388469957.db2.gz OELCZPHENNBFGD-LLVKDONJSA-N 1 0 217.312 3.802 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000309967645 528547208 /nfs/dbraw/zinc/54/72/08/528547208.db2.gz OELCZPHENNBFGD-NSHDSACASA-N 1 0 217.312 3.802 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000309970582 388469902 /nfs/dbraw/zinc/46/99/02/388469902.db2.gz PHMDMYPKGLWRKZ-HLMASZERSA-N 1 0 241.444 3.997 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000309970584 388470273 /nfs/dbraw/zinc/47/02/73/388470273.db2.gz PHMDMYPKGLWRKZ-IHDARNGBSA-N 1 0 241.444 3.997 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000309970586 388469988 /nfs/dbraw/zinc/46/99/88/388469988.db2.gz PHMDMYPKGLWRKZ-QAMKJQMISA-N 1 0 241.444 3.997 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000309970588 384531343 /nfs/dbraw/zinc/53/13/43/384531343.db2.gz PHMDMYPKGLWRKZ-QJTIAFMVSA-N 1 0 241.444 3.997 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000309974435 323122860 /nfs/dbraw/zinc/12/28/60/323122860.db2.gz RQXCXCTUUZMOEE-UHFFFAOYSA-N 1 0 219.372 3.773 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000309975663 256528513 /nfs/dbraw/zinc/52/85/13/256528513.db2.gz SNLSLSZAWAMKFB-CHWSQXEVSA-N 1 0 247.423 3.780 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000309975664 384529415 /nfs/dbraw/zinc/52/94/15/384529415.db2.gz SNLSLSZAWAMKFB-OLZOCXBDSA-N 1 0 247.423 3.780 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000309975665 384529853 /nfs/dbraw/zinc/52/98/53/384529853.db2.gz SNLSLSZAWAMKFB-QWHCGFSZSA-N 1 0 247.423 3.780 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000309975666 256528191 /nfs/dbraw/zinc/52/81/91/256528191.db2.gz SNLSLSZAWAMKFB-STQMWFEESA-N 1 0 247.423 3.780 20 0 BHADRO CCCc1csc(C[NH2+][C@H](CC)C(C)C)n1 ZINC000309978965 384759504 /nfs/dbraw/zinc/75/95/04/384759504.db2.gz VICWUNZBVLMWNX-GFCCVEGCSA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1csc(C[NH2+][C@@H](CC)C(C)C)n1 ZINC000309978966 384758191 /nfs/dbraw/zinc/75/81/91/384758191.db2.gz VICWUNZBVLMWNX-LBPRGKRZSA-N 1 0 240.416 3.620 20 0 BHADRO FC(F)(F)CCC[NH2+]C/C=C\c1ccccc1 ZINC000309983049 388471329 /nfs/dbraw/zinc/47/13/29/388471329.db2.gz PSJXIKDBZFTGCC-YWEYNIOJSA-N 1 0 243.272 3.632 20 0 BHADRO CCc1cnc(C[NH2+]CCCCC(C)C)s1 ZINC000309987663 634038763 /nfs/dbraw/zinc/03/87/63/634038763.db2.gz ZEWTZYFBIBARIB-UHFFFAOYSA-N 1 0 240.416 3.621 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000309990527 171060461 /nfs/dbraw/zinc/06/04/61/171060461.db2.gz AVTZZFWMFBGLFT-MPKXVKKWSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000309990528 171045530 /nfs/dbraw/zinc/04/55/30/171045530.db2.gz AVTZZFWMFBGLFT-QKCSRTOESA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000309990529 171043516 /nfs/dbraw/zinc/04/35/16/171043516.db2.gz AVTZZFWMFBGLFT-SUHUHFCYSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000309990530 171061231 /nfs/dbraw/zinc/06/12/31/171061231.db2.gz AVTZZFWMFBGLFT-ZKYQVNSYSA-N 1 0 221.344 3.736 20 0 BHADRO CCC1(C[NH2+]Cc2ccoc2)CCCCC1 ZINC000309991162 634048657 /nfs/dbraw/zinc/04/86/57/634048657.db2.gz BCTJEJSWYQXMAC-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1sccc1OC ZINC000309991522 491159584 /nfs/dbraw/zinc/15/95/84/491159584.db2.gz BEZVKRZOCLNKOT-JTQLQIEISA-N 1 0 241.400 3.844 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1sccc1OC ZINC000309991523 491159639 /nfs/dbraw/zinc/15/96/39/491159639.db2.gz BEZVKRZOCLNKOT-SNVBAGLBSA-N 1 0 241.400 3.844 20 0 BHADRO CCC1CC([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000309993183 388471072 /nfs/dbraw/zinc/47/10/72/388471072.db2.gz BNKPIIIEUVTYJA-GCZXYKMCSA-N 1 0 233.380 3.612 20 0 BHADRO CCC1CC([NH2+][C@H]2CSc3ccccc32)C1 ZINC000309993184 388470805 /nfs/dbraw/zinc/47/08/05/388470805.db2.gz BNKPIIIEUVTYJA-XIVSLSHWSA-N 1 0 233.380 3.612 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCCSC1 ZINC000309993701 388471100 /nfs/dbraw/zinc/47/11/00/388471100.db2.gz BPYQBLAWQOZSRR-CYBMUJFWSA-N 1 0 243.460 3.936 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCCSC1 ZINC000309993702 388471077 /nfs/dbraw/zinc/47/10/77/388471077.db2.gz BPYQBLAWQOZSRR-ZDUSSCGKSA-N 1 0 243.460 3.936 20 0 BHADRO CCC1CC([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000309993749 527823755 /nfs/dbraw/zinc/82/37/55/527823755.db2.gz BRMNLJCEWMDCTD-KPPDAEKUSA-N 1 0 237.309 3.886 20 0 BHADRO CCC1CC([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000309993750 388471293 /nfs/dbraw/zinc/47/12/93/388471293.db2.gz BRMNLJCEWMDCTD-WHXUTIOJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000309994402 388470850 /nfs/dbraw/zinc/47/08/50/388470850.db2.gz BSTCMRBEMCZHMA-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000309994404 388470595 /nfs/dbraw/zinc/47/05/95/388470595.db2.gz BSTCMRBEMCZHMA-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000309994406 388471808 /nfs/dbraw/zinc/47/18/08/388471808.db2.gz BSTCMRBEMCZHMA-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000309994408 388471763 /nfs/dbraw/zinc/47/17/63/388471763.db2.gz BSTCMRBEMCZHMA-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO C[C@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000309994731 634055135 /nfs/dbraw/zinc/05/51/35/634055135.db2.gz QXIQHAPDWQINBS-KOTGUFOOSA-N 1 0 231.383 3.972 20 0 BHADRO C[C@@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000309994732 634055737 /nfs/dbraw/zinc/05/57/37/634055737.db2.gz QXIQHAPDWQINBS-MSKHEQNASA-N 1 0 231.383 3.972 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309994910 388472413 /nfs/dbraw/zinc/47/24/13/388472413.db2.gz BXRMXHUIPSLSMD-LLVKDONJSA-N 1 0 239.325 3.989 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309994911 388471959 /nfs/dbraw/zinc/47/19/59/388471959.db2.gz BXRMXHUIPSLSMD-NSHDSACASA-N 1 0 239.325 3.989 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000309995388 491159607 /nfs/dbraw/zinc/15/96/07/491159607.db2.gz BYANVTYTCAXGFH-DXTPNHAXSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C\C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000309995389 491159603 /nfs/dbraw/zinc/15/96/03/491159603.db2.gz BYANVTYTCAXGFH-HSBHDXMMSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000309995390 491159628 /nfs/dbraw/zinc/15/96/28/491159628.db2.gz BYANVTYTCAXGFH-LQPUYASZSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C/C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000309995391 491159630 /nfs/dbraw/zinc/15/96/30/491159630.db2.gz BYANVTYTCAXGFH-MASHWEEQSA-N 1 0 225.282 3.582 20 0 BHADRO CCC(CC)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309995408 388472305 /nfs/dbraw/zinc/47/23/05/388472305.db2.gz BYTGTTPOFLQCDY-CYBMUJFWSA-N 1 0 219.372 3.643 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309995409 388471930 /nfs/dbraw/zinc/47/19/30/388471930.db2.gz BYTGTTPOFLQCDY-ZDUSSCGKSA-N 1 0 219.372 3.643 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccccc1F ZINC000309995441 388472329 /nfs/dbraw/zinc/47/23/29/388472329.db2.gz CASMSDCMDIEZHW-LLVKDONJSA-N 1 0 223.335 3.697 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1ccccc1F ZINC000309995442 529668061 /nfs/dbraw/zinc/66/80/61/529668061.db2.gz CASMSDCMDIEZHW-NSHDSACASA-N 1 0 223.335 3.697 20 0 BHADRO CC[C@@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000309995443 388471787 /nfs/dbraw/zinc/47/17/87/388471787.db2.gz CATLQSWFZHEKPN-DNOWBOINSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000309995444 529180209 /nfs/dbraw/zinc/18/02/09/529180209.db2.gz CATLQSWFZHEKPN-OPFPJEHXSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309995703 388470959 /nfs/dbraw/zinc/47/09/59/388470959.db2.gz CBVUWKVNHHPCFA-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309995706 388470974 /nfs/dbraw/zinc/47/09/74/388470974.db2.gz CBVUWKVNHHPCFA-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309995710 388470882 /nfs/dbraw/zinc/47/08/82/388470882.db2.gz CBVUWKVNHHPCFA-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000309995712 388471185 /nfs/dbraw/zinc/47/11/85/388471185.db2.gz CBVUWKVNHHPCFA-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO CCC1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000309996274 385011111 /nfs/dbraw/zinc/01/11/11/385011111.db2.gz CEQIMROLYQCCAF-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccoc1C ZINC000309996453 491159648 /nfs/dbraw/zinc/15/96/48/491159648.db2.gz CGIOMCHVUNUKHC-NEPJUHHUSA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccoc1C ZINC000309996457 491159594 /nfs/dbraw/zinc/15/95/94/491159594.db2.gz CGIOMCHVUNUKHC-NWDGAFQWSA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccoc1C ZINC000309996461 491159596 /nfs/dbraw/zinc/15/95/96/491159596.db2.gz CGIOMCHVUNUKHC-RYUDHWBXSA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccoc1C ZINC000309996465 491159612 /nfs/dbraw/zinc/15/96/12/491159612.db2.gz CGIOMCHVUNUKHC-VXGBXAGGSA-N 1 0 223.360 3.892 20 0 BHADRO CCCCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000309996830 528215317 /nfs/dbraw/zinc/21/53/17/528215317.db2.gz CINBEMJLQDTMJM-UHFFFAOYSA-N 1 0 221.319 3.595 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000309996850 634056465 /nfs/dbraw/zinc/05/64/65/634056465.db2.gz CJBAKWYLXUVHFD-HSBZDZAISA-N 1 0 227.392 3.501 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000309996851 632692426 /nfs/dbraw/zinc/69/24/26/632692426.db2.gz CJBAKWYLXUVHFD-IYXRBSQSSA-N 1 0 227.392 3.501 20 0 BHADRO CCCCCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309997400 634056631 /nfs/dbraw/zinc/05/66/31/634056631.db2.gz CLJVIOGKDLFLLH-UHFFFAOYSA-N 1 0 240.778 3.713 20 0 BHADRO CCC(CC)C[NH2+]CCc1cccc(Cl)c1 ZINC000309997956 388472435 /nfs/dbraw/zinc/47/24/35/388472435.db2.gz CRPZNPFABJASKL-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC1 ZINC000309998190 491159664 /nfs/dbraw/zinc/15/96/64/491159664.db2.gz CVCQOJQGQQKMRL-CYBMUJFWSA-N 1 0 237.774 3.803 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC1 ZINC000309998191 491159659 /nfs/dbraw/zinc/15/96/59/491159659.db2.gz CVCQOJQGQQKMRL-ZDUSSCGKSA-N 1 0 237.774 3.803 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000309999218 388472455 /nfs/dbraw/zinc/47/24/55/388472455.db2.gz DFWWDQNOOKPCIP-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000309999219 388472273 /nfs/dbraw/zinc/47/22/73/388472273.db2.gz DFWWDQNOOKPCIP-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000309999221 528064852 /nfs/dbraw/zinc/06/48/52/528064852.db2.gz DFWWDQNOOKPCIP-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000309999223 388471939 /nfs/dbraw/zinc/47/19/39/388471939.db2.gz DFWWDQNOOKPCIP-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000309999267 528764780 /nfs/dbraw/zinc/76/47/80/528764780.db2.gz DGODYKUCHHFFNN-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000309999269 528764232 /nfs/dbraw/zinc/76/42/32/528764232.db2.gz DGODYKUCHHFFNN-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000309999270 528895144 /nfs/dbraw/zinc/89/51/44/528895144.db2.gz DGODYKUCHHFFNN-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000309999272 388471772 /nfs/dbraw/zinc/47/17/72/388471772.db2.gz DGODYKUCHHFFNN-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1sccc1OC ZINC000309999740 634060986 /nfs/dbraw/zinc/06/09/86/634060986.db2.gz DLTASGFHKNIUDZ-LLVKDONJSA-N 1 0 241.400 3.988 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1sccc1OC ZINC000309999741 634061905 /nfs/dbraw/zinc/06/19/05/634061905.db2.gz DLTASGFHKNIUDZ-NSHDSACASA-N 1 0 241.400 3.988 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000310000516 384777275 /nfs/dbraw/zinc/77/72/75/384777275.db2.gz DRIJOOJMBPNTEX-GXTWGEPZSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000310000517 384778386 /nfs/dbraw/zinc/77/83/86/384778386.db2.gz DRIJOOJMBPNTEX-JSGCOSHPSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000310000518 347217107 /nfs/dbraw/zinc/21/71/07/347217107.db2.gz DRIJOOJMBPNTEX-OCCSQVGLSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000310000519 347217029 /nfs/dbraw/zinc/21/70/29/347217029.db2.gz DRIJOOJMBPNTEX-TZMCWYRMSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000310000869 384777216 /nfs/dbraw/zinc/77/72/16/384777216.db2.gz DVELXUSSVDUECP-IHRRRGAJSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000310001035 384777788 /nfs/dbraw/zinc/77/77/88/384777788.db2.gz DVELXUSSVDUECP-MCIONIFRSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000310001039 384777523 /nfs/dbraw/zinc/77/75/23/384777523.db2.gz DVELXUSSVDUECP-MJBXVCDLSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000310001041 384777613 /nfs/dbraw/zinc/77/76/13/384777613.db2.gz DVELXUSSVDUECP-RDBSUJKOSA-N 1 0 221.319 3.618 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1occc1C ZINC000310001393 528896591 /nfs/dbraw/zinc/89/65/91/528896591.db2.gz DZRIAKSRROJBBW-AAEUAGOBSA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1occc1C ZINC000310001395 528764102 /nfs/dbraw/zinc/76/41/02/528764102.db2.gz DZRIAKSRROJBBW-DGCLKSJQSA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1occc1C ZINC000310001397 388471767 /nfs/dbraw/zinc/47/17/67/388471767.db2.gz DZRIAKSRROJBBW-WCQYABFASA-N 1 0 223.360 3.892 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1occc1C ZINC000310001398 528766409 /nfs/dbraw/zinc/76/64/09/528766409.db2.gz DZRIAKSRROJBBW-YPMHNXCESA-N 1 0 223.360 3.892 20 0 BHADRO CCCCCC[NH2+][C@](C)(CC)c1nccs1 ZINC000310001467 634063249 /nfs/dbraw/zinc/06/32/49/634063249.db2.gz FBJNJDUJIUUAKJ-CYBMUJFWSA-N 1 0 240.416 3.938 20 0 BHADRO CCCCCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000310001469 632691457 /nfs/dbraw/zinc/69/14/57/632691457.db2.gz FBJNJDUJIUUAKJ-ZDUSSCGKSA-N 1 0 240.416 3.938 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000310002291 384778052 /nfs/dbraw/zinc/77/80/52/384778052.db2.gz FGROGMKEMNBLHD-ILXRZTDVSA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000310002292 384778171 /nfs/dbraw/zinc/77/81/71/384778171.db2.gz FGROGMKEMNBLHD-KKUMJFAQSA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000310002293 384777585 /nfs/dbraw/zinc/77/75/85/384777585.db2.gz FGROGMKEMNBLHD-QLFBSQMISA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000310002294 171543243 /nfs/dbraw/zinc/54/32/43/171543243.db2.gz FGROGMKEMNBLHD-SOUVJXGZSA-N 1 0 215.340 3.526 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)CCC=C(C)C ZINC000310003242 388472216 /nfs/dbraw/zinc/47/22/16/388472216.db2.gz FOHHWFBLEJFYJY-AWEZNQCLSA-N 1 0 227.392 3.528 20 0 BHADRO CCCCOCC[NH2+][C@H](C)CCC=C(C)C ZINC000310003243 388472045 /nfs/dbraw/zinc/47/20/45/388472045.db2.gz FOHHWFBLEJFYJY-CQSZACIVSA-N 1 0 227.392 3.528 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000310003276 487902016 /nfs/dbraw/zinc/90/20/16/487902016.db2.gz FPJFXIGXNMBLFN-HUUCEWRRSA-N 1 0 217.356 3.711 20 0 BHADRO CCCCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000310003549 397874454 /nfs/dbraw/zinc/87/44/54/397874454.db2.gz FQNYYXDFIMCVQB-UHFFFAOYSA-N 1 0 238.400 3.611 20 0 BHADRO CCC(CC)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000310003684 491158968 /nfs/dbraw/zinc/15/89/68/491158968.db2.gz FTAGXKFSMONFGA-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H]([NH2+]CCCOC)C(C)(C)C ZINC000310003711 634062417 /nfs/dbraw/zinc/06/24/17/634062417.db2.gz FTOPFQVKYNJCMM-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCCC[C@H]([NH2+]CCCOC)C(C)(C)C ZINC000310003713 711702100 /nfs/dbraw/zinc/70/21/00/711702100.db2.gz FTOPFQVKYNJCMM-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)C(C)(C)C ZINC000310003736 384558536 /nfs/dbraw/zinc/55/85/36/384558536.db2.gz FTVCRHHXLVIKBO-RTBKNWGFSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C(C)(C)C ZINC000310003738 529680486 /nfs/dbraw/zinc/68/04/86/529680486.db2.gz FTVCRHHXLVIKBO-UDNWOFFPSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000310003740 384557411 /nfs/dbraw/zinc/55/74/11/384557411.db2.gz FTXBMBBZUXVAQW-MQYQWHSLSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000310003741 384555936 /nfs/dbraw/zinc/55/59/36/384555936.db2.gz FTXBMBBZUXVAQW-RFGFWPKPSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000310003743 384556067 /nfs/dbraw/zinc/55/60/67/384556067.db2.gz FTXBMBBZUXVAQW-YIYPIFLZSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000310003745 384557156 /nfs/dbraw/zinc/55/71/56/384557156.db2.gz FTXBMBBZUXVAQW-ZOBORPQBSA-N 1 0 241.444 3.685 20 0 BHADRO CCC1CC([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000310003790 527824006 /nfs/dbraw/zinc/82/40/06/527824006.db2.gz FVFXZCZMLFJCBB-MMWSSPAHSA-N 1 0 235.396 3.977 20 0 BHADRO CCC1CC([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000310003791 384558339 /nfs/dbraw/zinc/55/83/39/384558339.db2.gz FVFXZCZMLFJCBB-OVGLSYRBSA-N 1 0 235.396 3.977 20 0 BHADRO CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000310004005 323125172 /nfs/dbraw/zinc/12/51/72/323125172.db2.gz FWNOFTWVQXYLOH-SNPRPXQTSA-N 1 0 217.356 3.568 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCC1 ZINC000310004057 388472000 /nfs/dbraw/zinc/47/20/00/388472000.db2.gz FXZKOIVGACBCBW-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000310004058 527755262 /nfs/dbraw/zinc/75/52/62/527755262.db2.gz FXZKOIVGACBCBW-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC1 ZINC000310004059 527753316 /nfs/dbraw/zinc/75/33/16/527753316.db2.gz FXZKOIVGACBCBW-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000310004060 388472056 /nfs/dbraw/zinc/47/20/56/388472056.db2.gz FXZKOIVGACBCBW-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000310004473 384555892 /nfs/dbraw/zinc/55/58/92/384555892.db2.gz GBEKPSCINYFEOW-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000310004475 384556301 /nfs/dbraw/zinc/55/63/01/384556301.db2.gz GBEKPSCINYFEOW-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000310004476 384557855 /nfs/dbraw/zinc/55/78/55/384557855.db2.gz GBEKPSCINYFEOW-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000310004478 384557048 /nfs/dbraw/zinc/55/70/48/384557048.db2.gz GBEKPSCINYFEOW-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000310004597 529223304 /nfs/dbraw/zinc/22/33/04/529223304.db2.gz GBIWYZIDWOELPE-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000310004598 529231285 /nfs/dbraw/zinc/23/12/85/529231285.db2.gz GBIWYZIDWOELPE-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000310004599 384557487 /nfs/dbraw/zinc/55/74/87/384557487.db2.gz GBIWYZIDWOELPE-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000310004600 384777133 /nfs/dbraw/zinc/77/71/33/384777133.db2.gz GBIWYZIDWOELPE-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CC)C1)c1nc(C)cs1 ZINC000310005027 384780010 /nfs/dbraw/zinc/78/00/10/384780010.db2.gz GFMGXQQHBKIZFS-HTAVTVPLSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+]C1CC(CC)C1)c1nc(C)cs1 ZINC000310005028 384780957 /nfs/dbraw/zinc/78/09/57/384780957.db2.gz GFMGXQQHBKIZFS-MCIGGMRASA-N 1 0 238.400 3.681 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000310005132 491159070 /nfs/dbraw/zinc/15/90/70/491159070.db2.gz GHRJSNOMKQARFV-GFCCVEGCSA-N 1 0 220.360 3.539 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000310005135 491159067 /nfs/dbraw/zinc/15/90/67/491159067.db2.gz GHRJSNOMKQARFV-LBPRGKRZSA-N 1 0 220.360 3.539 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000310005257 634066952 /nfs/dbraw/zinc/06/69/52/634066952.db2.gz GJHWAGBQDASLTP-GFCCVEGCSA-N 1 0 223.360 3.689 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000310005258 634066706 /nfs/dbraw/zinc/06/67/06/634066706.db2.gz GJHWAGBQDASLTP-LBPRGKRZSA-N 1 0 223.360 3.689 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000310005424 634062489 /nfs/dbraw/zinc/06/24/89/634062489.db2.gz GKZPXRCLAMALHZ-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000310005425 634067369 /nfs/dbraw/zinc/06/73/69/634067369.db2.gz GKZPXRCLAMALHZ-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000310005426 634066946 /nfs/dbraw/zinc/06/69/46/634066946.db2.gz GKZPXRCLAMALHZ-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000310005427 634066619 /nfs/dbraw/zinc/06/66/19/634066619.db2.gz GKZPXRCLAMALHZ-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccccc1SC ZINC000310005481 388472223 /nfs/dbraw/zinc/47/22/23/388472223.db2.gz GNCNMGUSBILNTJ-GHMZBOCLSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccccc1SC ZINC000310005483 388471864 /nfs/dbraw/zinc/47/18/64/388471864.db2.gz GNCNMGUSBILNTJ-MNOVXSKESA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000310005878 388471758 /nfs/dbraw/zinc/47/17/58/388471758.db2.gz GRDFJWOABOMRDB-BFHYXJOUSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000310005879 529415154 /nfs/dbraw/zinc/41/51/54/529415154.db2.gz GRDFJWOABOMRDB-MCIONIFRSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000310005880 388471845 /nfs/dbraw/zinc/47/18/45/388471845.db2.gz GRDFJWOABOMRDB-MGPQQGTHSA-N 1 0 241.444 3.710 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000310006128 529415087 /nfs/dbraw/zinc/41/50/87/529415087.db2.gz GRDFJWOABOMRDB-MJBXVCDLSA-N 1 0 241.444 3.710 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000310006178 388473241 /nfs/dbraw/zinc/47/32/41/388473241.db2.gz GSPQGXZXOKZGIA-CHWSQXEVSA-N 1 0 227.367 3.685 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000310006179 388473009 /nfs/dbraw/zinc/47/30/09/388473009.db2.gz GSPQGXZXOKZGIA-OLZOCXBDSA-N 1 0 227.367 3.685 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000310006180 527753938 /nfs/dbraw/zinc/75/39/38/527753938.db2.gz GSPQGXZXOKZGIA-QWHCGFSZSA-N 1 0 227.367 3.685 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000310006181 388473066 /nfs/dbraw/zinc/47/30/66/388473066.db2.gz GSPQGXZXOKZGIA-STQMWFEESA-N 1 0 227.367 3.685 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C)sc1C)C(C)(C)C ZINC000310006192 347217677 /nfs/dbraw/zinc/21/76/77/347217677.db2.gz GTVUQLOBGXBYCE-GFCCVEGCSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C)sc1C)C(C)(C)C ZINC000310006193 384781822 /nfs/dbraw/zinc/78/18/22/384781822.db2.gz GTVUQLOBGXBYCE-LBPRGKRZSA-N 1 0 240.416 3.674 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCc1nccs1 ZINC000310006485 634068193 /nfs/dbraw/zinc/06/81/93/634068193.db2.gz GWJFUTJKDATRSN-GFCCVEGCSA-N 1 0 240.416 3.634 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCc1nccs1 ZINC000310006486 634068385 /nfs/dbraw/zinc/06/83/85/634068385.db2.gz GWJFUTJKDATRSN-LBPRGKRZSA-N 1 0 240.416 3.634 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000310006754 326179643 /nfs/dbraw/zinc/17/96/43/326179643.db2.gz HAISGPSPZNVEES-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000310006895 326179809 /nfs/dbraw/zinc/17/98/09/326179809.db2.gz HAISGPSPZNVEES-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000310006897 326179403 /nfs/dbraw/zinc/17/94/03/326179403.db2.gz HAISGPSPZNVEES-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000310006898 326179310 /nfs/dbraw/zinc/17/93/10/326179310.db2.gz HAISGPSPZNVEES-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1cccs1 ZINC000310006999 347217452 /nfs/dbraw/zinc/21/74/52/347217452.db2.gz HCHUQMBVDGYXCA-GFCCVEGCSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1cccs1 ZINC000310007000 384779452 /nfs/dbraw/zinc/77/94/52/384779452.db2.gz HCHUQMBVDGYXCA-LBPRGKRZSA-N 1 0 235.352 3.890 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000310007224 634067399 /nfs/dbraw/zinc/06/73/99/634067399.db2.gz HDKRUYDRFWFNJH-LLVKDONJSA-N 1 0 238.762 3.501 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000310007225 634066883 /nfs/dbraw/zinc/06/68/83/634066883.db2.gz HDKRUYDRFWFNJH-NSHDSACASA-N 1 0 238.762 3.501 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2ccoc2)CC1 ZINC000310007325 384779754 /nfs/dbraw/zinc/77/97/54/384779754.db2.gz HFOWQERJXULRRW-UHFFFAOYSA-N 1 0 221.344 3.728 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1csc(CC)n1 ZINC000310008063 385020283 /nfs/dbraw/zinc/02/02/83/385020283.db2.gz HNBIMUOPPNWAPP-JMEBYUIHSA-N 1 0 238.400 3.712 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000310008064 384779891 /nfs/dbraw/zinc/77/98/91/384779891.db2.gz HNBIMUOPPNWAPP-ZADCQDASSA-N 1 0 238.400 3.712 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCSCC1 ZINC000310008259 529336213 /nfs/dbraw/zinc/33/62/13/529336213.db2.gz HQFKUBPHXQMYFQ-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCSCC1 ZINC000310008260 529339937 /nfs/dbraw/zinc/33/99/37/529339937.db2.gz HQFKUBPHXQMYFQ-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCSCC1 ZINC000310008262 388473030 /nfs/dbraw/zinc/47/30/30/388473030.db2.gz HQFKUBPHXQMYFQ-SCRDCRAPSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCSCC1 ZINC000310008263 388472982 /nfs/dbraw/zinc/47/29/82/388472982.db2.gz HQFKUBPHXQMYFQ-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000310008266 491159038 /nfs/dbraw/zinc/15/90/38/491159038.db2.gz HQGDUQUUUAVQMQ-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCOC(C)(C)C ZINC000310008268 491159083 /nfs/dbraw/zinc/15/90/83/491159083.db2.gz HQGDUQUUUAVQMQ-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000310008269 491159059 /nfs/dbraw/zinc/15/90/59/491159059.db2.gz HQGDUQUUUAVQMQ-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCOC(C)(C)C ZINC000310008270 491159047 /nfs/dbraw/zinc/15/90/47/491159047.db2.gz HQGDUQUUUAVQMQ-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310008524 171466844 /nfs/dbraw/zinc/46/68/44/171466844.db2.gz HSZDAJBGWYUWJB-CMPLNLGQSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310008525 384780043 /nfs/dbraw/zinc/78/00/43/384780043.db2.gz HSZDAJBGWYUWJB-JQWIXIFHSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310008526 385021708 /nfs/dbraw/zinc/02/17/08/385021708.db2.gz HSZDAJBGWYUWJB-PWSUYJOCSA-N 1 0 241.400 3.689 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310008527 384780678 /nfs/dbraw/zinc/78/06/78/384780678.db2.gz HSZDAJBGWYUWJB-ZYHUDNBSSA-N 1 0 241.400 3.689 20 0 BHADRO CCC[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000310008556 388473133 /nfs/dbraw/zinc/47/31/33/388473133.db2.gz HTMNABYOVJPYDO-GFCCVEGCSA-N 1 0 223.335 3.537 20 0 BHADRO CCC[C@H](C)[NH2+]CCCc1ccccc1F ZINC000310008558 528064508 /nfs/dbraw/zinc/06/45/08/528064508.db2.gz HTMNABYOVJPYDO-LBPRGKRZSA-N 1 0 223.335 3.537 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCC1 ZINC000310008730 528855933 /nfs/dbraw/zinc/85/59/33/528855933.db2.gz HUTXXPGYHOCRDL-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CCSC1)C1CCC1 ZINC000310008731 388472639 /nfs/dbraw/zinc/47/26/39/388472639.db2.gz HUTXXPGYHOCRDL-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CCSC1)C1CCC1 ZINC000310008732 388472683 /nfs/dbraw/zinc/47/26/83/388472683.db2.gz HUTXXPGYHOCRDL-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H]1CCSC1)C1CCC1 ZINC000310008733 528855267 /nfs/dbraw/zinc/85/52/67/528855267.db2.gz HUTXXPGYHOCRDL-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000310009145 171286158 /nfs/dbraw/zinc/28/61/58/171286158.db2.gz HXERDLIVVXGFSF-JTQLQIEISA-N 1 0 240.416 3.711 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000310009147 384781773 /nfs/dbraw/zinc/78/17/73/384781773.db2.gz HXERDLIVVXGFSF-SNVBAGLBSA-N 1 0 240.416 3.711 20 0 BHADRO CC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000310009676 388473094 /nfs/dbraw/zinc/47/30/94/388473094.db2.gz IDCOKHWZEFCZEF-CYBMUJFWSA-N 1 0 217.356 3.540 20 0 BHADRO CC[C@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000310009677 388472771 /nfs/dbraw/zinc/47/27/71/388472771.db2.gz IDCOKHWZEFCZEF-ZDUSSCGKSA-N 1 0 217.356 3.540 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CCCSC1)C1CCC1 ZINC000310010536 384558053 /nfs/dbraw/zinc/55/80/53/384558053.db2.gz IKTQRXLZGOKBHJ-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CCCSC1)C1CCC1 ZINC000310010537 384555959 /nfs/dbraw/zinc/55/59/59/384555959.db2.gz IKTQRXLZGOKBHJ-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]([NH2+][C@H]1CCCSC1)C1CCC1 ZINC000310010538 384555973 /nfs/dbraw/zinc/55/59/73/384555973.db2.gz IKTQRXLZGOKBHJ-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H]1CCCSC1)C1CCC1 ZINC000310010539 384556955 /nfs/dbraw/zinc/55/69/55/384556955.db2.gz IKTQRXLZGOKBHJ-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000310010790 323082990 /nfs/dbraw/zinc/08/29/90/323082990.db2.gz INYIPLGDAQZANC-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000310010792 323125217 /nfs/dbraw/zinc/12/52/17/323125217.db2.gz INYIPLGDAQZANC-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000310010830 323125243 /nfs/dbraw/zinc/12/52/43/323125243.db2.gz IOICZKXWQNVCQL-NEPJUHHUSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000310010833 323125189 /nfs/dbraw/zinc/12/51/89/323125189.db2.gz IOICZKXWQNVCQL-NWDGAFQWSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000310010835 323125143 /nfs/dbraw/zinc/12/51/43/323125143.db2.gz IOICZKXWQNVCQL-RYUDHWBXSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000310010837 323125163 /nfs/dbraw/zinc/12/51/63/323125163.db2.gz IOICZKXWQNVCQL-VXGBXAGGSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)OC)c1ccsc1 ZINC000310011114 169399816 /nfs/dbraw/zinc/39/98/16/169399816.db2.gz IOWPYSSGEGDAES-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)OC)c1ccsc1 ZINC000310011115 169510238 /nfs/dbraw/zinc/51/02/38/169510238.db2.gz IOWPYSSGEGDAES-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000310011124 384782873 /nfs/dbraw/zinc/78/28/73/384782873.db2.gz IPCLKQKWYBJRRP-KBPBESRZSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000310011125 384783413 /nfs/dbraw/zinc/78/34/13/384783413.db2.gz IPCLKQKWYBJRRP-KGLIPLIRSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](F)CC)c1ccc(C)cc1 ZINC000310011126 384784424 /nfs/dbraw/zinc/78/44/24/384784424.db2.gz IPCLKQKWYBJRRP-UONOGXRCSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000310011127 384782899 /nfs/dbraw/zinc/78/28/99/384782899.db2.gz IPCLKQKWYBJRRP-ZIAGYGMSSA-N 1 0 223.335 3.784 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1(CC)CCOCC1 ZINC000310011564 634071511 /nfs/dbraw/zinc/07/15/11/634071511.db2.gz ITBDUTSDCMZGHJ-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1(CC)CCOCC1 ZINC000310011565 632693391 /nfs/dbraw/zinc/69/33/91/632693391.db2.gz ITBDUTSDCMZGHJ-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000310012663 384562055 /nfs/dbraw/zinc/56/20/55/384562055.db2.gz JGQAJSFWTKCCSM-NEPJUHHUSA-N 1 0 223.360 3.545 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000310012664 384560992 /nfs/dbraw/zinc/56/09/92/384560992.db2.gz JGQAJSFWTKCCSM-NWDGAFQWSA-N 1 0 223.360 3.545 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000310012666 384562115 /nfs/dbraw/zinc/56/21/15/384562115.db2.gz JGQAJSFWTKCCSM-RYUDHWBXSA-N 1 0 223.360 3.545 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000310012780 384562331 /nfs/dbraw/zinc/56/23/31/384562331.db2.gz JGQAJSFWTKCCSM-VXGBXAGGSA-N 1 0 223.360 3.545 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)F)CC1)c1cccs1 ZINC000310012807 170891501 /nfs/dbraw/zinc/89/15/01/170891501.db2.gz JHYAFTJHTRLSLD-SECBINFHSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)F)CC1)c1cccs1 ZINC000310012808 384784004 /nfs/dbraw/zinc/78/40/04/384784004.db2.gz JHYAFTJHTRLSLD-VIFPVBQESA-N 1 0 245.338 3.834 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000310013218 528062489 /nfs/dbraw/zinc/06/24/89/528062489.db2.gz JOXSLZRCZSBUHD-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000310013219 384561714 /nfs/dbraw/zinc/56/17/14/384561714.db2.gz JOXSLZRCZSBUHD-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CCCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000310013264 632695083 /nfs/dbraw/zinc/69/50/83/632695083.db2.gz JQMVXYCJZVMBNK-HNNXBMFYSA-N 1 0 217.356 3.628 20 0 BHADRO CCCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000310013265 632694731 /nfs/dbraw/zinc/69/47/31/632694731.db2.gz JQMVXYCJZVMBNK-OAHLLOKOSA-N 1 0 217.356 3.628 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000310013361 388472964 /nfs/dbraw/zinc/47/29/64/388472964.db2.gz JRDWFNZRLWHBQP-BPLDGKMQSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000310013362 529669116 /nfs/dbraw/zinc/66/91/16/529669116.db2.gz JRDWFNZRLWHBQP-QEJZJMRPSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000310013713 384777924 /nfs/dbraw/zinc/77/79/24/384777924.db2.gz JWLPLUQASNINHH-AWEZNQCLSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000310013716 384777829 /nfs/dbraw/zinc/77/78/29/384777829.db2.gz JWLPLUQASNINHH-CQSZACIVSA-N 1 0 217.356 3.918 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000310013882 388473130 /nfs/dbraw/zinc/47/31/30/388473130.db2.gz JYFKDSHGVFWRHA-AHPWVWPOSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000310013883 388473122 /nfs/dbraw/zinc/47/31/22/388473122.db2.gz JYFKDSHGVFWRHA-NELGMTEASA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000310013884 388472895 /nfs/dbraw/zinc/47/28/95/388472895.db2.gz JYFKDSHGVFWRHA-RJZJGCCBSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000310013885 388472628 /nfs/dbraw/zinc/47/26/28/388472628.db2.gz JYFKDSHGVFWRHA-ZIHBUVQPSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000310013905 388473233 /nfs/dbraw/zinc/47/32/33/388473233.db2.gz JYQDHLNVZILOQL-DZGCQCFKSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C)cc1C ZINC000310013906 388472918 /nfs/dbraw/zinc/47/29/18/388472918.db2.gz JYQDHLNVZILOQL-HIFRSBDPSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000310013907 529343954 /nfs/dbraw/zinc/34/39/54/529343954.db2.gz JYQDHLNVZILOQL-UKRRQHHQSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C)cc1C ZINC000310013908 388472759 /nfs/dbraw/zinc/47/27/59/388472759.db2.gz JYQDHLNVZILOQL-ZFWWWQNUSA-N 1 0 217.356 3.582 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1ccc(C)o1 ZINC000310014217 323126495 /nfs/dbraw/zinc/12/64/95/323126495.db2.gz KCQDDGMPWRLJPD-CYBMUJFWSA-N 1 0 223.360 3.689 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1ccc(C)o1 ZINC000310014218 323126482 /nfs/dbraw/zinc/12/64/82/323126482.db2.gz KCQDDGMPWRLJPD-ZDUSSCGKSA-N 1 0 223.360 3.689 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC000310014373 388473216 /nfs/dbraw/zinc/47/32/16/388473216.db2.gz KEVOSBSQAWHWKC-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1CCC(F)(F)CC1 ZINC000310014805 384561791 /nfs/dbraw/zinc/56/17/91/384561791.db2.gz KKYQBPQFYUEVKX-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1CCC(F)(F)CC1 ZINC000310014806 384561122 /nfs/dbraw/zinc/56/11/22/384561122.db2.gz KKYQBPQFYUEVKX-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)Cc2cccs2)C1 ZINC000310015421 527822819 /nfs/dbraw/zinc/82/28/19/527822819.db2.gz KQLRCXPFYQBXRA-HIFPTAJRSA-N 1 0 237.412 3.705 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)Cc2cccs2)C1 ZINC000310015422 388472676 /nfs/dbraw/zinc/47/26/76/388472676.db2.gz KQLRCXPFYQBXRA-PNESKVBLSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@](C)([NH2+]CCCSC)c1ccccc1 ZINC000310015488 711702273 /nfs/dbraw/zinc/70/22/73/711702273.db2.gz KRYFARCBPAWBOK-AWEZNQCLSA-N 1 0 237.412 3.655 20 0 BHADRO CC[C@@](C)([NH2+]CCCSC)c1ccccc1 ZINC000310015489 634077506 /nfs/dbraw/zinc/07/75/06/634077506.db2.gz KRYFARCBPAWBOK-CQSZACIVSA-N 1 0 237.412 3.655 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000310015568 634076181 /nfs/dbraw/zinc/07/61/81/634076181.db2.gz KSPRAZXYTQBCPW-LLVKDONJSA-N 1 0 238.762 3.501 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000310015569 634077086 /nfs/dbraw/zinc/07/70/86/634077086.db2.gz KSPRAZXYTQBCPW-NSHDSACASA-N 1 0 238.762 3.501 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCOC(C)(C)C ZINC000310016267 491160132 /nfs/dbraw/zinc/16/01/32/491160132.db2.gz LBHWHCAMQCRFAN-UHFFFAOYSA-N 1 0 229.408 3.750 20 0 BHADRO CCC1(C[NH2+]C2CCC3(CC3)CC2)CCC1 ZINC000310016695 384795997 /nfs/dbraw/zinc/79/59/97/384795997.db2.gz LDMBTCCJHINMHC-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000310016742 491160155 /nfs/dbraw/zinc/16/01/55/491160155.db2.gz LERRDQPPULAZLZ-BXKDBHETSA-N 1 0 239.746 3.552 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000310016743 491160199 /nfs/dbraw/zinc/16/01/99/491160199.db2.gz LERRDQPPULAZLZ-CABZTGNLSA-N 1 0 239.746 3.552 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000310016744 491160173 /nfs/dbraw/zinc/16/01/73/491160173.db2.gz LERRDQPPULAZLZ-JOYOIKCWSA-N 1 0 239.746 3.552 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000310016745 491160201 /nfs/dbraw/zinc/16/02/01/491160201.db2.gz LERRDQPPULAZLZ-SKDRFNHKSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000310017447 388473275 /nfs/dbraw/zinc/47/32/75/388473275.db2.gz LLIFOUWAVZATJJ-IHRRRGAJSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000310017448 388472998 /nfs/dbraw/zinc/47/29/98/388472998.db2.gz LLIFOUWAVZATJJ-MGPQQGTHSA-N 1 0 217.356 3.629 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC1 ZINC000310018233 343175435 /nfs/dbraw/zinc/17/54/35/343175435.db2.gz LWWYEGWJNVSRFQ-AWEZNQCLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC1 ZINC000310018234 343175181 /nfs/dbraw/zinc/17/51/81/343175181.db2.gz LWWYEGWJNVSRFQ-CQSZACIVSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000310018437 491160153 /nfs/dbraw/zinc/16/01/53/491160153.db2.gz LZDKOHWXXXFSQZ-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000310018439 491160141 /nfs/dbraw/zinc/16/01/41/491160141.db2.gz LZDKOHWXXXFSQZ-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000310018440 491160160 /nfs/dbraw/zinc/16/01/60/491160160.db2.gz LZDKOHWXXXFSQZ-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C(F)F)C1 ZINC000310018441 491160207 /nfs/dbraw/zinc/16/02/07/491160207.db2.gz LZDKOHWXXXFSQZ-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC1CC([NH2+]CCc2ccccc2Cl)C1 ZINC000310018485 384558730 /nfs/dbraw/zinc/55/87/30/384558730.db2.gz LZQMVDYQNSGIMK-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000310018607 167861014 /nfs/dbraw/zinc/86/10/14/167861014.db2.gz MBDRYXFKUDPKQR-DGMVEKRQSA-N 1 0 221.344 3.903 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1cc(C)oc1C ZINC000310018609 384787299 /nfs/dbraw/zinc/78/72/99/384787299.db2.gz MBDRYXFKUDPKQR-NNNHXZLVSA-N 1 0 221.344 3.903 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000310018611 384786011 /nfs/dbraw/zinc/78/60/11/384786011.db2.gz MBDRYXFKUDPKQR-SYTKJHMZSA-N 1 0 221.344 3.903 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1cc(C)oc1C ZINC000310018613 384786799 /nfs/dbraw/zinc/78/67/99/384786799.db2.gz MBDRYXFKUDPKQR-ZHRWSRJISA-N 1 0 221.344 3.903 20 0 BHADRO CC[C@](C)([NH2+]CCCCF)c1ccccc1 ZINC000310018651 711702172 /nfs/dbraw/zinc/70/21/72/711702172.db2.gz MCBMCWDZDLTNDL-AWEZNQCLSA-N 1 0 223.335 3.651 20 0 BHADRO CC[C@@](C)([NH2+]CCCCF)c1ccccc1 ZINC000310018653 711702259 /nfs/dbraw/zinc/70/22/59/711702259.db2.gz MCBMCWDZDLTNDL-CQSZACIVSA-N 1 0 223.335 3.651 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000310019400 384565767 /nfs/dbraw/zinc/56/57/67/384565767.db2.gz MKDCRCPAOTXKSY-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000310019401 384563835 /nfs/dbraw/zinc/56/38/35/384563835.db2.gz MKDCRCPAOTXKSY-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000310020045 388474184 /nfs/dbraw/zinc/47/41/84/388474184.db2.gz MTMRRKHWFQCEOX-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000310020046 529257974 /nfs/dbraw/zinc/25/79/74/529257974.db2.gz MTMRRKHWFQCEOX-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000310020047 388473556 /nfs/dbraw/zinc/47/35/56/388473556.db2.gz MTMRRKHWFQCEOX-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000310020048 384565596 /nfs/dbraw/zinc/56/55/96/384565596.db2.gz MTMRRKHWFQCEOX-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000310020649 634078626 /nfs/dbraw/zinc/07/86/26/634078626.db2.gz NDOVEYZAIJAYSC-GXSJLCMTSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000310020650 634078790 /nfs/dbraw/zinc/07/87/90/634078790.db2.gz NDOVEYZAIJAYSC-KOLCDFICSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000310020651 634079247 /nfs/dbraw/zinc/07/92/47/634079247.db2.gz NDOVEYZAIJAYSC-MWLCHTKSSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000310020653 632694480 /nfs/dbraw/zinc/69/44/80/632694480.db2.gz NDOVEYZAIJAYSC-ONGXEEELSA-N 1 0 238.762 3.501 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccoc1C ZINC000310021089 491160246 /nfs/dbraw/zinc/16/02/46/491160246.db2.gz NKBXEMRENWOCBW-BXUZGUMPSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccoc1C ZINC000310021090 491160229 /nfs/dbraw/zinc/16/02/29/491160229.db2.gz NKBXEMRENWOCBW-FZMZJTMJSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccoc1C ZINC000310021091 491160265 /nfs/dbraw/zinc/16/02/65/491160265.db2.gz NKBXEMRENWOCBW-RISCZKNCSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccoc1C ZINC000310021092 491160244 /nfs/dbraw/zinc/16/02/44/491160244.db2.gz NKBXEMRENWOCBW-SMDDNHRTSA-N 1 0 223.360 3.892 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1nc(C)cs1 ZINC000310022076 384789443 /nfs/dbraw/zinc/78/94/43/384789443.db2.gz NWEYPPGVRBYYDO-KXGXSXBTSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1nc(C)cs1 ZINC000310022077 385043881 /nfs/dbraw/zinc/04/38/81/385043881.db2.gz NWEYPPGVRBYYDO-NUGNTBJXSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1nc(C)cs1 ZINC000310022078 385043189 /nfs/dbraw/zinc/04/31/89/385043189.db2.gz NWEYPPGVRBYYDO-PDEGPIFNSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1nc(C)cs1 ZINC000310022079 385043504 /nfs/dbraw/zinc/04/35/04/385043504.db2.gz NWEYPPGVRBYYDO-ZDDJMSTPSA-N 1 0 238.400 3.537 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1(C(F)F)CC1 ZINC000310023347 168313738 /nfs/dbraw/zinc/31/37/38/168313738.db2.gz OGXSUGWQCSLFPA-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@]1(C[NH2+]C/C=C\c2ccccc2)CCCS1 ZINC000310023520 534176352 /nfs/dbraw/zinc/17/63/52/534176352.db2.gz UHSAZARLYPIBST-HMZQOCAUSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2)CCCS1 ZINC000310023521 388474119 /nfs/dbraw/zinc/47/41/19/388474119.db2.gz UHSAZARLYPIBST-ZHMISCPASA-N 1 0 247.407 3.575 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000310024424 711702218 /nfs/dbraw/zinc/70/22/18/711702218.db2.gz OQOVXMHICRWMNQ-LLVKDONJSA-N 1 0 216.328 3.619 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000310024427 632694727 /nfs/dbraw/zinc/69/47/27/632694727.db2.gz OQOVXMHICRWMNQ-NSHDSACASA-N 1 0 216.328 3.619 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310024430 388473983 /nfs/dbraw/zinc/47/39/83/388473983.db2.gz OQQRGTHFPXFLIA-DLOVCJGASA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310024431 529207201 /nfs/dbraw/zinc/20/72/01/529207201.db2.gz OQQRGTHFPXFLIA-MVWJERBFSA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310024432 529206927 /nfs/dbraw/zinc/20/69/27/529206927.db2.gz OQQRGTHFPXFLIA-WCQGTBRESA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310024669 388474169 /nfs/dbraw/zinc/47/41/69/388474169.db2.gz OQQRGTHFPXFLIA-ZMLRMANQSA-N 1 0 223.360 3.982 20 0 BHADRO CC[C@H]([NH2+]Cc1c(C)cccc1F)C(C)C ZINC000310024746 711702406 /nfs/dbraw/zinc/70/24/06/711702406.db2.gz OSLVBVVAGVEKOI-AWEZNQCLSA-N 1 0 223.335 3.658 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(C)cccc1F)C(C)C ZINC000310024747 711702184 /nfs/dbraw/zinc/70/21/84/711702184.db2.gz OSLVBVVAGVEKOI-CQSZACIVSA-N 1 0 223.335 3.658 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](CCOC)C(C)(C)C ZINC000310025036 528924357 /nfs/dbraw/zinc/92/43/57/528924357.db2.gz OUPJOKFTBWWCAC-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000310025037 388474182 /nfs/dbraw/zinc/47/41/82/388474182.db2.gz OUPJOKFTBWWCAC-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CCOC)C(C)(C)C ZINC000310025038 528106609 /nfs/dbraw/zinc/10/66/09/528106609.db2.gz OUPJOKFTBWWCAC-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000310025039 388474097 /nfs/dbraw/zinc/47/40/97/388474097.db2.gz OUPJOKFTBWWCAC-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000310025041 388474115 /nfs/dbraw/zinc/47/41/15/388474115.db2.gz OUSQRYMHVFLGGR-AWEZNQCLSA-N 1 0 221.344 3.819 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000310025042 388474022 /nfs/dbraw/zinc/47/40/22/388474022.db2.gz OUSQRYMHVFLGGR-CQSZACIVSA-N 1 0 221.344 3.819 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCOC(C)(C)C ZINC000310025185 326180044 /nfs/dbraw/zinc/18/00/44/326180044.db2.gz OWVPNJTYDIHKRN-UHFFFAOYSA-N 1 0 229.408 3.608 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CCSCC1 ZINC000310025337 388473822 /nfs/dbraw/zinc/47/38/22/388473822.db2.gz OZERICJDUCWLFS-CHWSQXEVSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1CCSCC1 ZINC000310025338 388474059 /nfs/dbraw/zinc/47/40/59/388474059.db2.gz OZERICJDUCWLFS-OLZOCXBDSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1CCSCC1 ZINC000310025339 388473896 /nfs/dbraw/zinc/47/38/96/388473896.db2.gz OZERICJDUCWLFS-QWHCGFSZSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1CCSCC1 ZINC000310025340 388474099 /nfs/dbraw/zinc/47/40/99/388474099.db2.gz OZERICJDUCWLFS-STQMWFEESA-N 1 0 243.460 3.934 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1CCSCC1 ZINC000310025359 491160275 /nfs/dbraw/zinc/16/02/75/491160275.db2.gz OZMNIZFIZRYUJM-UHFFFAOYSA-N 1 0 243.460 3.936 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000310025580 711702375 /nfs/dbraw/zinc/70/23/75/711702375.db2.gz PDJAHZXVNCAOHE-LLVKDONJSA-N 1 0 240.778 3.966 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000310025581 632694697 /nfs/dbraw/zinc/69/46/97/632694697.db2.gz PDJAHZXVNCAOHE-NSHDSACASA-N 1 0 240.778 3.966 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000310025636 487911141 /nfs/dbraw/zinc/91/11/41/487911141.db2.gz PEJGGXCYLZGAIO-NWANDNLSSA-N 1 0 217.356 3.711 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000310026159 711702429 /nfs/dbraw/zinc/70/24/29/711702429.db2.gz PJNYNJGFBYQPOB-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1CC1 ZINC000310026196 384571123 /nfs/dbraw/zinc/57/11/23/384571123.db2.gz PKMCOZISRFEDFJ-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1CC1 ZINC000310026197 384572998 /nfs/dbraw/zinc/57/29/98/384572998.db2.gz PKMCOZISRFEDFJ-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1CC1 ZINC000310026198 384570805 /nfs/dbraw/zinc/57/08/05/384570805.db2.gz PKMCOZISRFEDFJ-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1CC1 ZINC000310026200 388473847 /nfs/dbraw/zinc/47/38/47/388473847.db2.gz PKMCOZISRFEDFJ-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@H](OC)C(CC)CC ZINC000310026338 384790191 /nfs/dbraw/zinc/79/01/91/384790191.db2.gz PMJHYXGKTSTXSU-GXTWGEPZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@H](OC)C(CC)CC ZINC000310026339 388473681 /nfs/dbraw/zinc/47/36/81/388473681.db2.gz PMJHYXGKTSTXSU-JSGCOSHPSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@H](OC)C(CC)CC ZINC000310026340 528899449 /nfs/dbraw/zinc/89/94/49/528899449.db2.gz PMJHYXGKTSTXSU-OCCSQVGLSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@H](OC)C(CC)CC ZINC000310026341 388474180 /nfs/dbraw/zinc/47/41/80/388474180.db2.gz PMJHYXGKTSTXSU-TZMCWYRMSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CSc2ccccc21 ZINC000310026553 388473623 /nfs/dbraw/zinc/47/36/23/388473623.db2.gz PPGASWXUMWCVRS-AAEUAGOBSA-N 1 0 235.396 3.859 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CSc2ccccc21 ZINC000310026554 528877790 /nfs/dbraw/zinc/87/77/90/528877790.db2.gz PPGASWXUMWCVRS-DGCLKSJQSA-N 1 0 235.396 3.859 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CSc2ccccc21 ZINC000310026555 388473550 /nfs/dbraw/zinc/47/35/50/388473550.db2.gz PPGASWXUMWCVRS-WCQYABFASA-N 1 0 235.396 3.859 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CSc2ccccc21 ZINC000310026556 528879132 /nfs/dbraw/zinc/87/91/32/528879132.db2.gz PPGASWXUMWCVRS-YPMHNXCESA-N 1 0 235.396 3.859 20 0 BHADRO CC/C=C\CC[NH2+]C1(C(F)F)CCCCC1 ZINC000310026557 388474172 /nfs/dbraw/zinc/47/41/72/388474172.db2.gz PPGCKHCYMABVOV-ARJAWSKDSA-N 1 0 231.330 3.900 20 0 BHADRO CC/C=C/CC[NH2+]C1(C(F)F)CCCCC1 ZINC000310026558 388473560 /nfs/dbraw/zinc/47/35/60/388473560.db2.gz PPGCKHCYMABVOV-ONEGZZNKSA-N 1 0 231.330 3.900 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000310026804 388474024 /nfs/dbraw/zinc/47/40/24/388474024.db2.gz PSHZAVZOHJPEDQ-CMPLNLGQSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000310026805 388474005 /nfs/dbraw/zinc/47/40/05/388474005.db2.gz PSHZAVZOHJPEDQ-JQWIXIFHSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000310026806 528106011 /nfs/dbraw/zinc/10/60/11/528106011.db2.gz PSHZAVZOHJPEDQ-PWSUYJOCSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000310026807 388473690 /nfs/dbraw/zinc/47/36/90/388473690.db2.gz PSHZAVZOHJPEDQ-ZYHUDNBSSA-N 1 0 240.778 3.964 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000310027301 344509382 /nfs/dbraw/zinc/50/93/82/344509382.db2.gz PYJRVIRNCKIYEL-JLLWLGSASA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000310027302 171002334 /nfs/dbraw/zinc/00/23/34/171002334.db2.gz PYJRVIRNCKIYEL-MVWJERBFSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000310027303 384792215 /nfs/dbraw/zinc/79/22/15/384792215.db2.gz PYJRVIRNCKIYEL-WCQGTBRESA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000310027304 171003096 /nfs/dbraw/zinc/00/30/96/171003096.db2.gz PYJRVIRNCKIYEL-YUSALJHKSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1Nc1ccccn1 ZINC000310027611 343215309 /nfs/dbraw/zinc/21/53/09/343215309.db2.gz QBRHXLMZIWNYHQ-OLZOCXBDSA-N 1 0 218.344 3.852 20 0 BHADRO CCC[C@H]1CCCC[C@H]1Nc1ccccn1 ZINC000310027612 343215200 /nfs/dbraw/zinc/21/52/00/343215200.db2.gz QBRHXLMZIWNYHQ-QWHCGFSZSA-N 1 0 218.344 3.852 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1Nc1ccccn1 ZINC000310027614 343215329 /nfs/dbraw/zinc/21/53/29/343215329.db2.gz QBRHXLMZIWNYHQ-STQMWFEESA-N 1 0 218.344 3.852 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000310028982 632694488 /nfs/dbraw/zinc/69/44/88/632694488.db2.gz QNRHIPGEOYQXQH-CMPLNLGQSA-N 1 0 224.348 3.602 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000310028984 634091588 /nfs/dbraw/zinc/09/15/88/634091588.db2.gz QNRHIPGEOYQXQH-JQWIXIFHSA-N 1 0 224.348 3.602 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000310028986 634090903 /nfs/dbraw/zinc/09/09/03/634090903.db2.gz QNRHIPGEOYQXQH-PWSUYJOCSA-N 1 0 224.348 3.602 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000310028987 634092043 /nfs/dbraw/zinc/09/20/43/634092043.db2.gz QNRHIPGEOYQXQH-ZYHUDNBSSA-N 1 0 224.348 3.602 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2cscn2)CC1 ZINC000310029363 384792301 /nfs/dbraw/zinc/79/23/01/384792301.db2.gz QPVKODNLCPDTOV-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000310029381 528877872 /nfs/dbraw/zinc/87/78/72/528877872.db2.gz QPZLJLYWYQLBIW-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000310029383 384576178 /nfs/dbraw/zinc/57/61/78/384576178.db2.gz QPZLJLYWYQLBIW-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000310029515 384576522 /nfs/dbraw/zinc/57/65/22/384576522.db2.gz QPZLJLYWYQLBIW-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000310029516 384575462 /nfs/dbraw/zinc/57/54/62/384575462.db2.gz QPZLJLYWYQLBIW-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H](C)OC)C(C)(C)C ZINC000310030013 634088807 /nfs/dbraw/zinc/08/88/07/634088807.db2.gz QULABAMCGFBUBW-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H](C)OC)C(C)(C)C ZINC000310030014 634089097 /nfs/dbraw/zinc/08/90/97/634089097.db2.gz QULABAMCGFBUBW-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H](C)OC)C(C)(C)C ZINC000310030015 634089791 /nfs/dbraw/zinc/08/97/91/634089791.db2.gz QULABAMCGFBUBW-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H](C)OC)C(C)(C)C ZINC000310030016 634089334 /nfs/dbraw/zinc/08/93/34/634089334.db2.gz QULABAMCGFBUBW-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C1CC1 ZINC000310030063 634089103 /nfs/dbraw/zinc/08/91/03/634089103.db2.gz QVSGKQRATCXMQR-BXKDBHETSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C1CC1 ZINC000310030064 634088798 /nfs/dbraw/zinc/08/87/98/634088798.db2.gz QVSGKQRATCXMQR-CABZTGNLSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C1CC1 ZINC000310030065 632694836 /nfs/dbraw/zinc/69/48/36/632694836.db2.gz QVSGKQRATCXMQR-JOYOIKCWSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C1CC1 ZINC000310030066 632695121 /nfs/dbraw/zinc/69/51/21/632695121.db2.gz QVSGKQRATCXMQR-SKDRFNHKSA-N 1 0 238.762 3.574 20 0 BHADRO CCC(CC)C[NH2+]Cc1scnc1C1CC1 ZINC000310030635 491160386 /nfs/dbraw/zinc/16/03/86/491160386.db2.gz QZLJURWUTPIZCZ-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000310030696 487911273 /nfs/dbraw/zinc/91/12/73/487911273.db2.gz RAHZTMAPTNGFDO-KBPBESRZSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000310030698 487911504 /nfs/dbraw/zinc/91/15/04/487911504.db2.gz RAHZTMAPTNGFDO-KGLIPLIRSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000310030699 487911132 /nfs/dbraw/zinc/91/11/32/487911132.db2.gz RAHZTMAPTNGFDO-UONOGXRCSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000310030701 487911335 /nfs/dbraw/zinc/91/13/35/487911335.db2.gz RAHZTMAPTNGFDO-ZIAGYGMSSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)COC(C)C ZINC000310030709 388472212 /nfs/dbraw/zinc/47/22/12/388472212.db2.gz RAPPMADOUAFSGH-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)COC(C)C ZINC000310030711 388472409 /nfs/dbraw/zinc/47/24/09/388472409.db2.gz RAPPMADOUAFSGH-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000310031573 388473932 /nfs/dbraw/zinc/47/39/32/388473932.db2.gz UZGURHPFVRPNAK-MWGCNAMGSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000310031574 388474129 /nfs/dbraw/zinc/47/41/29/388474129.db2.gz UZGURHPFVRPNAK-WNTKCETOSA-N 1 0 229.367 3.726 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000310031974 529681410 /nfs/dbraw/zinc/68/14/10/529681410.db2.gz RIINTLLXOBRIKG-HTAVTVPLSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000310031975 384590785 /nfs/dbraw/zinc/59/07/85/384590785.db2.gz RIINTLLXOBRIKG-MCIGGMRASA-N 1 0 233.346 3.835 20 0 BHADRO CCC1(C[NH2+]Cc2ccco2)CCCCC1 ZINC000310032079 388473580 /nfs/dbraw/zinc/47/35/80/388473580.db2.gz RJTGAXGZYXMIDN-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000310032626 528893232 /nfs/dbraw/zinc/89/32/32/528893232.db2.gz ROCWOGJSMFMFRN-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000310032627 388474665 /nfs/dbraw/zinc/47/46/65/388474665.db2.gz ROCWOGJSMFMFRN-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCC(C)(C)COC ZINC000310032645 388474602 /nfs/dbraw/zinc/47/46/02/388474602.db2.gz RPAWQNZWIXRPEY-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCC(C)(C)COC ZINC000310032646 528893507 /nfs/dbraw/zinc/89/35/07/528893507.db2.gz RPAWQNZWIXRPEY-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCC1(C[NH2+]C2CC3(CCC3)C2)CCCC1 ZINC000310033068 527746228 /nfs/dbraw/zinc/74/62/28/527746228.db2.gz RTUBQAILIKAPEP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000310033118 388474639 /nfs/dbraw/zinc/47/46/39/388474639.db2.gz RVKSFGWDXFEFJW-JKOKRWQUSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000310033120 388474484 /nfs/dbraw/zinc/47/44/84/388474484.db2.gz RVKSFGWDXFEFJW-MPKXVKKWSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000310033431 388474629 /nfs/dbraw/zinc/47/46/29/388474629.db2.gz RZJJIADYRUDDLP-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000310033432 388474563 /nfs/dbraw/zinc/47/45/63/388474563.db2.gz RZJJIADYRUDDLP-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000310033433 529340057 /nfs/dbraw/zinc/34/00/57/529340057.db2.gz RZJJIADYRUDDLP-HOSYDEDBSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000310033434 388474634 /nfs/dbraw/zinc/47/46/34/388474634.db2.gz RZJJIADYRUDDLP-UMNHJUIQSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000310033439 528105396 /nfs/dbraw/zinc/10/53/96/528105396.db2.gz RZVNMUANFHBUGL-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000310033440 388474727 /nfs/dbraw/zinc/47/47/27/388474727.db2.gz RZVNMUANFHBUGL-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CCCCC[C@H]([NH2+]CCOCC)C(C)(C)C ZINC000310033778 632695998 /nfs/dbraw/zinc/69/59/98/632695998.db2.gz SEOCMVRCFSPYTI-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CCC(CC)[NH2+]CCCc1ccccc1F ZINC000310033785 528803881 /nfs/dbraw/zinc/80/38/81/528803881.db2.gz SEVDJLFPDFHGKF-UHFFFAOYSA-N 1 0 223.335 3.537 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000310034144 388474520 /nfs/dbraw/zinc/47/45/20/388474520.db2.gz SHQBAECTHMALJO-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000310034145 528782939 /nfs/dbraw/zinc/78/29/39/528782939.db2.gz SHQBAECTHMALJO-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000310034146 388473843 /nfs/dbraw/zinc/47/38/43/388473843.db2.gz SHQBAECTHMALJO-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000310034147 388474105 /nfs/dbraw/zinc/47/41/05/388474105.db2.gz SHQBAECTHMALJO-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CC)C1)c1ccccc1 ZINC000310034349 168512906 /nfs/dbraw/zinc/51/29/06/168512906.db2.gz SKQMFTBRHPAVHQ-PESDSKBTSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+]C1CC(CC)C1)c1ccccc1 ZINC000310034350 384801078 /nfs/dbraw/zinc/80/10/78/384801078.db2.gz SKQMFTBRHPAVHQ-ZALBZXLWSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000310034372 171515237 /nfs/dbraw/zinc/51/52/37/171515237.db2.gz SLJXEHWJDQFWDE-AWEZNQCLSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000310034373 384799284 /nfs/dbraw/zinc/79/92/84/384799284.db2.gz SLJXEHWJDQFWDE-CQSZACIVSA-N 1 0 217.356 3.916 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000310034476 529047699 /nfs/dbraw/zinc/04/76/99/529047699.db2.gz GZFSBJXYNVHXGT-AJHXJQRKSA-N 1 0 229.367 3.868 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000310034477 384590670 /nfs/dbraw/zinc/59/06/70/384590670.db2.gz GZFSBJXYNVHXGT-WUKHSURWSA-N 1 0 229.367 3.868 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1ccccc1 ZINC000310034628 384589614 /nfs/dbraw/zinc/58/96/14/384589614.db2.gz SMFGCUGCFZLNPG-AATRIKPKSA-N 1 0 217.356 3.868 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1ccccc1 ZINC000310034629 528790197 /nfs/dbraw/zinc/79/01/97/528790197.db2.gz SMFGCUGCFZLNPG-WAYWQWQTSA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)c1cc(F)ccc1F ZINC000310034766 634065122 /nfs/dbraw/zinc/06/51/22/634065122.db2.gz SNYAYBZBLOMEOF-GCLPIYDQSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@H]([NH2+]C/C=C\Cl)c1cc(F)ccc1F ZINC000310034767 632696902 /nfs/dbraw/zinc/69/69/02/632696902.db2.gz SNYAYBZBLOMEOF-RYBZSIHZSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)C(C)C ZINC000310034803 529591048 /nfs/dbraw/zinc/59/10/48/529591048.db2.gz SPTWTMHEQCLYHB-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)C(C)C ZINC000310034804 529156586 /nfs/dbraw/zinc/15/65/86/529156586.db2.gz SPTWTMHEQCLYHB-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000310034811 384594845 /nfs/dbraw/zinc/59/48/45/384594845.db2.gz SPWQPFGUYBOHIN-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000310034812 384593864 /nfs/dbraw/zinc/59/38/64/384593864.db2.gz SPWQPFGUYBOHIN-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000310034813 529338129 /nfs/dbraw/zinc/33/81/29/529338129.db2.gz SPWQPFGUYBOHIN-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000310034814 384594177 /nfs/dbraw/zinc/59/41/77/384594177.db2.gz SPWQPFGUYBOHIN-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H](C)C[NH2+]C1(c2ccccc2)CCC1 ZINC000310034859 384593493 /nfs/dbraw/zinc/59/34/93/384593493.db2.gz SQZUJVBPRYTFRL-CYBMUJFWSA-N 1 0 217.356 3.702 20 0 BHADRO CC[C@H](C)C[NH2+]C1(c2ccccc2)CCC1 ZINC000310034860 384595652 /nfs/dbraw/zinc/59/56/52/384595652.db2.gz SQZUJVBPRYTFRL-ZDUSSCGKSA-N 1 0 217.356 3.702 20 0 BHADRO CCC(CC)[C@H]([NH2+]CCF)c1ccccc1 ZINC000310034961 384594437 /nfs/dbraw/zinc/59/44/37/384594437.db2.gz SUCXFGVGPBSUDX-AWEZNQCLSA-N 1 0 223.335 3.723 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CCF)c1ccccc1 ZINC000310034962 384593314 /nfs/dbraw/zinc/59/33/14/384593314.db2.gz SUCXFGVGPBSUDX-CQSZACIVSA-N 1 0 223.335 3.723 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC000310035208 388474824 /nfs/dbraw/zinc/47/48/24/388474824.db2.gz MXOZQHLTEYLLIH-KRJYMIKXSA-N 1 0 229.367 3.868 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000310035441 634098121 /nfs/dbraw/zinc/09/81/21/634098121.db2.gz TYRDPCYKFSOOOM-LLVKDONJSA-N 1 0 240.778 3.712 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000310035442 634098383 /nfs/dbraw/zinc/09/83/83/634098383.db2.gz TYRDPCYKFSOOOM-NSHDSACASA-N 1 0 240.778 3.712 20 0 BHADRO CCC1CC([NH2+]CC(C)(C)c2cccs2)C1 ZINC000310035631 384591975 /nfs/dbraw/zinc/59/19/75/384591975.db2.gz UALKEQICRMQBMM-UHFFFAOYSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1C ZINC000310035907 388474537 /nfs/dbraw/zinc/47/45/37/388474537.db2.gz UGDDNPOCGLKVLM-NFAWXSAZSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000310035908 529344039 /nfs/dbraw/zinc/34/40/39/529344039.db2.gz UGDDNPOCGLKVLM-UMVBOHGHSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000310036319 388474567 /nfs/dbraw/zinc/47/45/67/388474567.db2.gz ZNPGTBPJODXVKA-IRHPPKKSSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000310036321 388474814 /nfs/dbraw/zinc/47/48/14/388474814.db2.gz ZNPGTBPJODXVKA-YOPWKTHZSA-N 1 0 229.367 3.726 20 0 BHADRO CCC1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000310036789 384802879 /nfs/dbraw/zinc/80/28/79/384802879.db2.gz UOIOKZQBXKVBGH-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C1CC(C(F)F)C1 ZINC000310036909 634065667 /nfs/dbraw/zinc/06/56/67/634065667.db2.gz UPTUHFLSWYKQSN-CXQJBGSLSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C1CC(C(F)F)C1 ZINC000310036910 632695925 /nfs/dbraw/zinc/69/59/25/632695925.db2.gz UPTUHFLSWYKQSN-MOENNCHZSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000310036947 388474608 /nfs/dbraw/zinc/47/46/08/388474608.db2.gz URDMTPKLWOISLP-BXUZGUMPSA-N 1 0 217.356 3.797 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000310036948 388474548 /nfs/dbraw/zinc/47/45/48/388474548.db2.gz URDMTPKLWOISLP-FZMZJTMJSA-N 1 0 217.356 3.797 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000310036949 384585402 /nfs/dbraw/zinc/58/54/02/384585402.db2.gz URDMTPKLWOISLP-RISCZKNCSA-N 1 0 217.356 3.797 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000310036950 529181864 /nfs/dbraw/zinc/18/18/64/529181864.db2.gz URDMTPKLWOISLP-SMDDNHRTSA-N 1 0 217.356 3.797 20 0 BHADRO CCC1(CC)CCC([NH2+]CC2(F)CC2)CC1 ZINC000310037103 323127520 /nfs/dbraw/zinc/12/75/20/323127520.db2.gz UUJUDUONHBAZGJ-UHFFFAOYSA-N 1 0 227.367 3.827 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC(C(F)F)CC1 ZINC000310037180 528104748 /nfs/dbraw/zinc/10/47/48/528104748.db2.gz UWKWEPTVJVHCIX-CXQJBGSLSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC(C(F)F)CC1 ZINC000310037181 384589806 /nfs/dbraw/zinc/58/98/06/384589806.db2.gz UWKWEPTVJVHCIX-MOENNCHZSA-N 1 0 233.346 3.979 20 0 BHADRO CCC(CC)[NH2+]Cc1c(F)cccc1SC ZINC000310037441 398052829 /nfs/dbraw/zinc/05/28/29/398052829.db2.gz VCUXFYZTLZWXPH-UHFFFAOYSA-N 1 0 241.375 3.826 20 0 BHADRO CC[C@@](C)([NH2+]CCCC(C)C)c1nccs1 ZINC000310037450 398052813 /nfs/dbraw/zinc/05/28/13/398052813.db2.gz VDGLDUGSBMAEKW-CYBMUJFWSA-N 1 0 240.416 3.794 20 0 BHADRO CC[C@](C)([NH2+]CCCC(C)C)c1nccs1 ZINC000310037451 398052693 /nfs/dbraw/zinc/05/26/93/398052693.db2.gz VDGLDUGSBMAEKW-ZDUSSCGKSA-N 1 0 240.416 3.794 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000310037564 528061938 /nfs/dbraw/zinc/06/19/38/528061938.db2.gz VGDDUZYEYPMSAE-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000310037565 384588742 /nfs/dbraw/zinc/58/87/42/384588742.db2.gz VGDDUZYEYPMSAE-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@](C)([NH2+]CC=C(C)C)c1ccccc1 ZINC000310037572 632696039 /nfs/dbraw/zinc/69/60/39/632696039.db2.gz VGFGGKMKZPBNDE-HNNXBMFYSA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@@](C)([NH2+]CC=C(C)C)c1ccccc1 ZINC000310037573 634064534 /nfs/dbraw/zinc/06/45/34/634064534.db2.gz VGFGGKMKZPBNDE-OAHLLOKOSA-N 1 0 217.356 3.868 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)C(C)(C)C)CCC1 ZINC000310037610 384590283 /nfs/dbraw/zinc/59/02/83/384590283.db2.gz VHONJIVIOJJRJX-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310037743 491159805 /nfs/dbraw/zinc/15/98/05/491159805.db2.gz VLDDMQYXYBGPQE-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000310037744 491159792 /nfs/dbraw/zinc/15/97/92/491159792.db2.gz VLDDMQYXYBGPQE-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C([NH2+][C@@H]1CC2CCC1CC2)C1CCCCC1 ZINC000310037969 411195709 /nfs/dbraw/zinc/19/57/09/411195709.db2.gz VQODZPAMMILPDP-PESDSKBTSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CC2CCC1CC2)C1CCCCC1 ZINC000310037970 411195646 /nfs/dbraw/zinc/19/56/46/411195646.db2.gz VQODZPAMMILPDP-ZALBZXLWSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C)cc1 ZINC000310038066 384806949 /nfs/dbraw/zinc/80/69/49/384806949.db2.gz VTEBKRIRINQXRB-GXTWGEPZSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccc(C)cc1 ZINC000310038067 384806469 /nfs/dbraw/zinc/80/64/69/384806469.db2.gz VTEBKRIRINQXRB-JSGCOSHPSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccc(C)cc1 ZINC000310038068 384806584 /nfs/dbraw/zinc/80/65/84/384806584.db2.gz VTEBKRIRINQXRB-OCCSQVGLSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(C)cc1 ZINC000310038069 170896538 /nfs/dbraw/zinc/89/65/38/170896538.db2.gz VTEBKRIRINQXRB-TZMCWYRMSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000310038074 529649840 /nfs/dbraw/zinc/64/98/40/529649840.db2.gz VTIYJICVBOFXEO-AAEUAGOBSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCSCC1)C(C)(C)C ZINC000310038075 529204864 /nfs/dbraw/zinc/20/48/64/529204864.db2.gz VTIYJICVBOFXEO-DGCLKSJQSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000310038076 384599237 /nfs/dbraw/zinc/59/92/37/384599237.db2.gz VTIYJICVBOFXEO-WCQYABFASA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCSCC1)C(C)(C)C ZINC000310038077 529664179 /nfs/dbraw/zinc/66/41/79/529664179.db2.gz VTIYJICVBOFXEO-YPMHNXCESA-N 1 0 243.460 3.932 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ncc(C)s1 ZINC000310038488 384599099 /nfs/dbraw/zinc/59/90/99/384599099.db2.gz WDDLAQXJQKXQST-GFCCVEGCSA-N 1 0 240.416 3.900 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ncc(C)s1 ZINC000310038489 384596708 /nfs/dbraw/zinc/59/67/08/384596708.db2.gz WDDLAQXJQKXQST-LBPRGKRZSA-N 1 0 240.416 3.900 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000310038522 384599080 /nfs/dbraw/zinc/59/90/80/384599080.db2.gz WERAYHXLXCSHBF-DGMVEKRQSA-N 1 0 238.400 3.849 20 0 BHADRO CC/C=C\CC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000310038523 384597803 /nfs/dbraw/zinc/59/78/03/384597803.db2.gz WERAYHXLXCSHBF-ZHRWSRJISA-N 1 0 238.400 3.849 20 0 BHADRO CCC(CC)C[NH2+]C1CCC(C(F)F)CC1 ZINC000310038643 384596511 /nfs/dbraw/zinc/59/65/11/384596511.db2.gz WHBATHVIRZDVND-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCCC(C)(C)COC ZINC000310038663 528922988 /nfs/dbraw/zinc/92/29/88/528922988.db2.gz WHRIBHSXYCBKCJ-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCC[C@H](CC)[NH2+]CCCC(C)(C)COC ZINC000310038664 384597817 /nfs/dbraw/zinc/59/78/17/384597817.db2.gz WHRIBHSXYCBKCJ-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1c(F)cccc1SC ZINC000310038735 384597894 /nfs/dbraw/zinc/59/78/94/384597894.db2.gz WJNYGJMQFNVCPL-JTQLQIEISA-N 1 0 241.375 3.683 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1c(F)cccc1SC ZINC000310038736 384597669 /nfs/dbraw/zinc/59/76/69/384597669.db2.gz WJNYGJMQFNVCPL-SNVBAGLBSA-N 1 0 241.375 3.683 20 0 BHADRO CCC(CC)C[NH2+]CC1CCC(F)(F)CC1 ZINC000310038910 384599283 /nfs/dbraw/zinc/59/92/83/384599283.db2.gz WNXLXZMDPXLLIC-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCOC(C)(C)C ZINC000310038977 323083059 /nfs/dbraw/zinc/08/30/59/323083059.db2.gz WPRVHZVYDBWZGN-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCOC(C)(C)C ZINC000310038978 323126918 /nfs/dbraw/zinc/12/69/18/323126918.db2.gz WPRVHZVYDBWZGN-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCOC(C)(C)C ZINC000310038979 323127040 /nfs/dbraw/zinc/12/70/40/323127040.db2.gz WPRVHZVYDBWZGN-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCOC(C)(C)C ZINC000310038980 323083040 /nfs/dbraw/zinc/08/30/40/323083040.db2.gz WPRVHZVYDBWZGN-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000310039013 347222544 /nfs/dbraw/zinc/22/25/44/347222544.db2.gz WQWPESRXMBJZNH-CHWSQXEVSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000310039014 347222549 /nfs/dbraw/zinc/22/25/49/347222549.db2.gz WQWPESRXMBJZNH-OLZOCXBDSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000310039015 171543459 /nfs/dbraw/zinc/54/34/59/171543459.db2.gz WQWPESRXMBJZNH-QWHCGFSZSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000310039016 171549567 /nfs/dbraw/zinc/54/95/67/171549567.db2.gz WQWPESRXMBJZNH-STQMWFEESA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000310039212 384597836 /nfs/dbraw/zinc/59/78/36/384597836.db2.gz WUQBKHNMJTZKNC-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000310039213 529312932 /nfs/dbraw/zinc/31/29/32/529312932.db2.gz WUQBKHNMJTZKNC-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000310039214 384599053 /nfs/dbraw/zinc/59/90/53/384599053.db2.gz WUQBKHNMJTZKNC-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000310039215 384599330 /nfs/dbraw/zinc/59/93/30/384599330.db2.gz WUQBKHNMJTZKNC-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000310039290 323127009 /nfs/dbraw/zinc/12/70/09/323127009.db2.gz WWXDVDQXSDHRKV-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000310039291 323126995 /nfs/dbraw/zinc/12/69/95/323126995.db2.gz WWXDVDQXSDHRKV-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000310039292 323127012 /nfs/dbraw/zinc/12/70/12/323127012.db2.gz WWXDVDQXSDHRKV-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000310039293 323126959 /nfs/dbraw/zinc/12/69/59/323126959.db2.gz WWXDVDQXSDHRKV-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000310039309 527822914 /nfs/dbraw/zinc/82/29/14/527822914.db2.gz WXGORCNHFUSDSQ-DNOWBOINSA-N 1 0 217.356 3.568 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000310039310 384596404 /nfs/dbraw/zinc/59/64/04/384596404.db2.gz WXGORCNHFUSDSQ-OPFPJEHXSA-N 1 0 217.356 3.568 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000310039340 384597827 /nfs/dbraw/zinc/59/78/27/384597827.db2.gz WXWYDQHRICALCD-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000310039341 384596369 /nfs/dbraw/zinc/59/63/69/384596369.db2.gz WXWYDQHRICALCD-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000310039342 528915465 /nfs/dbraw/zinc/91/54/65/528915465.db2.gz WXWYDQHRICALCD-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000310039343 528782142 /nfs/dbraw/zinc/78/21/42/528782142.db2.gz WXWYDQHRICALCD-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000310039402 529337971 /nfs/dbraw/zinc/33/79/71/529337971.db2.gz WZPGMDOJXZQYAR-GUTXKFCHSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000310039403 529344000 /nfs/dbraw/zinc/34/40/00/529344000.db2.gz WZPGMDOJXZQYAR-GZBFAFLISA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000310039404 384598074 /nfs/dbraw/zinc/59/80/74/384598074.db2.gz WZPGMDOJXZQYAR-NFAWXSAZSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000310039405 529344115 /nfs/dbraw/zinc/34/41/15/529344115.db2.gz WZPGMDOJXZQYAR-UMVBOHGHSA-N 1 0 217.356 3.834 20 0 BHADRO CCCCC[NH2+]C1(c2ccccc2F)CC1 ZINC000310039767 634103564 /nfs/dbraw/zinc/10/35/64/634103564.db2.gz XJFWVFQPUZNCEW-UHFFFAOYSA-N 1 0 221.319 3.595 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000310039964 384597794 /nfs/dbraw/zinc/59/77/94/384597794.db2.gz XMJJVBJEQRCNMM-AXFHLTTASA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000310039965 384598738 /nfs/dbraw/zinc/59/87/38/384598738.db2.gz XMJJVBJEQRCNMM-DCAQKATOSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000310039966 384597451 /nfs/dbraw/zinc/59/74/51/384597451.db2.gz XMJJVBJEQRCNMM-GARJFASQSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000310039967 529418324 /nfs/dbraw/zinc/41/83/24/529418324.db2.gz XMJJVBJEQRCNMM-HBNTYKKESA-N 1 0 239.325 3.989 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000310039968 384809134 /nfs/dbraw/zinc/80/91/34/384809134.db2.gz XMJSXNPYIGLTMG-PKSQDBQZSA-N 1 0 221.344 3.736 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000310039969 168513244 /nfs/dbraw/zinc/51/32/44/168513244.db2.gz XMJSXNPYIGLTMG-QFWMXSHPSA-N 1 0 221.344 3.736 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000310039986 384599488 /nfs/dbraw/zinc/59/94/88/384599488.db2.gz XMTJJBXLSJIRPN-CMPLNLGQSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000310039987 384596832 /nfs/dbraw/zinc/59/68/32/384596832.db2.gz XMTJJBXLSJIRPN-JQWIXIFHSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000310040210 347222422 /nfs/dbraw/zinc/22/24/22/347222422.db2.gz XQOZXHCAPSVHLD-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000310040211 529438328 /nfs/dbraw/zinc/43/83/28/529438328.db2.gz XQOZXHCAPSVHLD-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000310040212 384597982 /nfs/dbraw/zinc/59/79/82/384597982.db2.gz XQOZXHCAPSVHLD-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000310040213 384597625 /nfs/dbraw/zinc/59/76/25/384597625.db2.gz XQOZXHCAPSVHLD-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccsc1 ZINC000310040527 529018683 /nfs/dbraw/zinc/01/86/83/529018683.db2.gz XTHYUPUQZQWZSS-DMDPSCGWSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccsc1 ZINC000310040528 388474703 /nfs/dbraw/zinc/47/47/03/388474703.db2.gz XTHYUPUQZQWZSS-GMXVVIOVSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccsc1 ZINC000310040529 169512508 /nfs/dbraw/zinc/51/25/08/169512508.db2.gz XTHYUPUQZQWZSS-GVXVVHGQSA-N 1 0 241.400 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccsc1 ZINC000310040530 169512751 /nfs/dbraw/zinc/51/27/51/169512751.db2.gz XTHYUPUQZQWZSS-LOWVWBTDSA-N 1 0 241.400 3.602 20 0 BHADRO CC/C=C\CC[NH2+]C1(c2ccccc2)CC1 ZINC000310040703 388474541 /nfs/dbraw/zinc/47/45/41/388474541.db2.gz XUYUBLOOCFRXSC-ARJAWSKDSA-N 1 0 215.340 3.622 20 0 BHADRO CC/C=C/CC[NH2+]C1(c2ccccc2)CC1 ZINC000310040704 388474606 /nfs/dbraw/zinc/47/46/06/388474606.db2.gz XUYUBLOOCFRXSC-ONEGZZNKSA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000310040892 384597855 /nfs/dbraw/zinc/59/78/55/384597855.db2.gz XYMRQJDPMLGRCY-GMTAPVOTSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000310040893 529343996 /nfs/dbraw/zinc/34/39/96/529343996.db2.gz XYMRQJDPMLGRCY-MXWKQRLJSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000310040894 384601410 /nfs/dbraw/zinc/60/14/10/384601410.db2.gz XYMRQJDPMLGRCY-OUAUKWLOSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000310040895 384600670 /nfs/dbraw/zinc/60/06/70/384600670.db2.gz XYMRQJDPMLGRCY-VWYCJHECSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000310041083 384601180 /nfs/dbraw/zinc/60/11/80/384601180.db2.gz YFSHZBKQCWZQDN-DZGCQCFKSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000310041084 529375649 /nfs/dbraw/zinc/37/56/49/529375649.db2.gz YFSHZBKQCWZQDN-HIFRSBDPSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000310041085 384602615 /nfs/dbraw/zinc/60/26/15/384602615.db2.gz YFSHZBKQCWZQDN-UKRRQHHQSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000310041086 529181796 /nfs/dbraw/zinc/18/17/96/529181796.db2.gz YFSHZBKQCWZQDN-ZFWWWQNUSA-N 1 0 219.372 3.642 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCCSC1 ZINC000310041132 384601578 /nfs/dbraw/zinc/60/15/78/384601578.db2.gz YGSNNKQAEJXPDR-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000310041133 384601875 /nfs/dbraw/zinc/60/18/75/384601875.db2.gz YGSNNKQAEJXPDR-IHRRRGAJSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCCSC1 ZINC000310041134 384600311 /nfs/dbraw/zinc/60/03/11/384600311.db2.gz YGSNNKQAEJXPDR-MELADBBJSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000310041135 384600877 /nfs/dbraw/zinc/60/08/77/384600877.db2.gz YGSNNKQAEJXPDR-MJBXVCDLSA-N 1 0 243.460 3.934 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000310041192 384602263 /nfs/dbraw/zinc/60/22/63/384602263.db2.gz YJFUTCHHCXLQPX-JTQLQIEISA-N 1 0 234.368 3.747 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000310041193 528555651 /nfs/dbraw/zinc/55/56/51/528555651.db2.gz YJFUTCHHCXLQPX-SNVBAGLBSA-N 1 0 234.368 3.747 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000310041253 384602290 /nfs/dbraw/zinc/60/22/90/384602290.db2.gz YKYUJODAMKTAJF-GXTWGEPZSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000310041254 384600512 /nfs/dbraw/zinc/60/05/12/384600512.db2.gz YKYUJODAMKTAJF-JSGCOSHPSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000310041255 529370925 /nfs/dbraw/zinc/37/09/25/529370925.db2.gz YKYUJODAMKTAJF-OCCSQVGLSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC1(C)C)c1ccccc1 ZINC000310041256 384602489 /nfs/dbraw/zinc/60/24/89/384602489.db2.gz YKYUJODAMKTAJF-TZMCWYRMSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000310041404 384600741 /nfs/dbraw/zinc/60/07/41/384600741.db2.gz YPPSIEWCLYUOSY-GXTWGEPZSA-N 1 0 235.396 3.687 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000310041405 529250151 /nfs/dbraw/zinc/25/01/51/529250151.db2.gz YPPSIEWCLYUOSY-JSGCOSHPSA-N 1 0 235.396 3.687 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000310041406 384600193 /nfs/dbraw/zinc/60/01/93/384600193.db2.gz YPPSIEWCLYUOSY-OCCSQVGLSA-N 1 0 235.396 3.687 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000310041407 384601502 /nfs/dbraw/zinc/60/15/02/384601502.db2.gz YPPSIEWCLYUOSY-TZMCWYRMSA-N 1 0 235.396 3.687 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000310041584 634108176 /nfs/dbraw/zinc/10/81/76/634108176.db2.gz YTLLZNMEEXPPPD-KBPBESRZSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000310041585 634108840 /nfs/dbraw/zinc/10/88/40/634108840.db2.gz YTLLZNMEEXPPPD-KGLIPLIRSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000310041586 634108917 /nfs/dbraw/zinc/10/89/17/634108917.db2.gz YTLLZNMEEXPPPD-UONOGXRCSA-N 1 0 229.408 3.748 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000310041587 634108566 /nfs/dbraw/zinc/10/85/66/634108566.db2.gz YTLLZNMEEXPPPD-ZIAGYGMSSA-N 1 0 229.408 3.748 20 0 BHADRO CC[C@H](C)[NH2+]CCCc1ccc(C)cc1C ZINC000310041794 566323601 /nfs/dbraw/zinc/32/36/01/566323601.db2.gz YZQLHIJKPZVQDP-AWEZNQCLSA-N 1 0 219.372 3.624 20 0 BHADRO CC[C@@H](C)[NH2+]CCCc1ccc(C)cc1C ZINC000310041795 566323429 /nfs/dbraw/zinc/32/34/29/566323429.db2.gz YZQLHIJKPZVQDP-CQSZACIVSA-N 1 0 219.372 3.624 20 0 BHADRO CCCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000310041898 384600339 /nfs/dbraw/zinc/60/03/39/384600339.db2.gz ZCTKDFYSFCMFMB-AWEZNQCLSA-N 1 0 219.372 3.645 20 0 BHADRO CCCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000310041899 384602197 /nfs/dbraw/zinc/60/21/97/384602197.db2.gz ZCTKDFYSFCMFMB-CQSZACIVSA-N 1 0 219.372 3.645 20 0 BHADRO CCCC[NH2+]Cc1cccc(Cl)c1OCC ZINC000310042083 384601143 /nfs/dbraw/zinc/60/11/43/384601143.db2.gz ZEYGPMKZXAPEOW-UHFFFAOYSA-N 1 0 241.762 3.628 20 0 BHADRO CC1(CNc2ccnc3ccsc32)CC1 ZINC000310042233 168047831 /nfs/dbraw/zinc/04/78/31/168047831.db2.gz ZHQLVAIPLWWZAQ-UHFFFAOYSA-N 1 0 218.325 3.508 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000310042234 634107178 /nfs/dbraw/zinc/10/71/78/634107178.db2.gz ZHVIPVMEYOQPGI-BNQIPGGESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1CCCC1 ZINC000310042235 634107524 /nfs/dbraw/zinc/10/75/24/634107524.db2.gz ZHVIPVMEYOQPGI-DGLGBPBLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000310042236 634107711 /nfs/dbraw/zinc/10/77/11/634107711.db2.gz ZHVIPVMEYOQPGI-TYVCDUJCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)C1CCCC1 ZINC000310042237 634107429 /nfs/dbraw/zinc/10/74/29/634107429.db2.gz ZHVIPVMEYOQPGI-WZKVNAIUSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000310042487 388474600 /nfs/dbraw/zinc/47/46/00/388474600.db2.gz ZLBWQTYTXPYCNN-PSASIEDQSA-N 1 0 247.716 3.878 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000310042488 388474775 /nfs/dbraw/zinc/47/47/75/388474775.db2.gz ZLBWQTYTXPYCNN-SCZZXKLOSA-N 1 0 247.716 3.878 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000310042489 388474586 /nfs/dbraw/zinc/47/45/86/388474586.db2.gz ZLBWQTYTXPYCNN-WCBMZHEXSA-N 1 0 247.716 3.878 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000310042490 388474892 /nfs/dbraw/zinc/47/48/92/388474892.db2.gz ZLBWQTYTXPYCNN-WPRPVWTQSA-N 1 0 247.716 3.878 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000310042568 388474678 /nfs/dbraw/zinc/47/46/78/388474678.db2.gz ZNNPPBVDUVOZOU-GXTWGEPZSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000310042569 388474539 /nfs/dbraw/zinc/47/45/39/388474539.db2.gz ZNNPPBVDUVOZOU-JSGCOSHPSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000310042570 388474555 /nfs/dbraw/zinc/47/45/55/388474555.db2.gz ZNNPPBVDUVOZOU-OCCSQVGLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000310042571 388474643 /nfs/dbraw/zinc/47/46/43/388474643.db2.gz ZNNPPBVDUVOZOU-TZMCWYRMSA-N 1 0 237.774 3.661 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1scnc1C1CC1 ZINC000310042679 538111148 /nfs/dbraw/zinc/11/11/48/538111148.db2.gz ZOMPBYPLJSSBBU-UHFFFAOYSA-N 1 0 238.400 3.689 20 0 BHADRO CC[C@H](C[NH2+]C(C)(C)CC)c1ccccc1 ZINC000310042688 529360298 /nfs/dbraw/zinc/36/02/98/529360298.db2.gz ZOVZBIWLKGPSHC-CYBMUJFWSA-N 1 0 219.372 3.958 20 0 BHADRO CC[C@@H](C[NH2+]C(C)(C)CC)c1ccccc1 ZINC000310042689 388474690 /nfs/dbraw/zinc/47/46/90/388474690.db2.gz ZOVZBIWLKGPSHC-ZDUSSCGKSA-N 1 0 219.372 3.958 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]C2CC(CC)C2)cs1 ZINC000310042837 172003059 /nfs/dbraw/zinc/00/30/59/172003059.db2.gz ZTUTUYWDPPGLIC-KPPDAEKUSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+]C2CC(CC)C2)cs1 ZINC000310042838 172006322 /nfs/dbraw/zinc/00/63/22/172006322.db2.gz ZTUTUYWDPPGLIC-WHXUTIOJSA-N 1 0 238.400 3.545 20 0 BHADRO CCC1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000310042868 384817102 /nfs/dbraw/zinc/81/71/02/384817102.db2.gz ZUQCTQWTFXUCTN-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000310042880 388474571 /nfs/dbraw/zinc/47/45/71/388474571.db2.gz ZVHOELXNBKNYPD-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000310042881 388474553 /nfs/dbraw/zinc/47/45/53/388474553.db2.gz ZVHOELXNBKNYPD-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000310043025 538111114 /nfs/dbraw/zinc/11/11/14/538111114.db2.gz ZYZPOMPOEKJFJV-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000310043026 538111101 /nfs/dbraw/zinc/11/11/01/538111101.db2.gz ZYZPOMPOEKJFJV-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000310044160 388474724 /nfs/dbraw/zinc/47/47/24/388474724.db2.gz RMQYHZDOMNDKQJ-JKEYDSJLSA-N 1 0 249.423 3.821 20 0 BHADRO CCSCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000310044161 388474558 /nfs/dbraw/zinc/47/45/58/388474558.db2.gz RMQYHZDOMNDKQJ-YHAOYDPOSA-N 1 0 249.423 3.821 20 0 BHADRO CSCCCCC[NH2+]C/C=C\c1ccccc1 ZINC000310044982 229487179 /nfs/dbraw/zinc/48/71/79/229487179.db2.gz MJQJWOSXZCYLRC-FLIBITNWSA-N 1 0 249.423 3.823 20 0 BHADRO CC(C)C1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000310049085 388474743 /nfs/dbraw/zinc/47/47/43/388474743.db2.gz SMBGOHXVQPZFBJ-TWGQIWQCSA-N 1 0 229.367 3.726 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000310049270 634066846 /nfs/dbraw/zinc/06/68/46/634066846.db2.gz RBLHWKSLSQOIAN-DNWYELSFSA-N 1 0 247.407 3.574 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000310049271 634067468 /nfs/dbraw/zinc/06/74/68/634067468.db2.gz RBLHWKSLSQOIAN-OVUXIIJLSA-N 1 0 247.407 3.574 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000310058488 135447756 /nfs/dbraw/zinc/44/77/56/135447756.db2.gz DHMAGCQUOJVZCQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000310058489 358442922 /nfs/dbraw/zinc/44/29/22/358442922.db2.gz DHMAGCQUOJVZCQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000310058490 168991046 /nfs/dbraw/zinc/99/10/46/168991046.db2.gz DHMAGCQUOJVZCQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000310058491 358442835 /nfs/dbraw/zinc/44/28/35/358442835.db2.gz DHMAGCQUOJVZCQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1ccccn1 ZINC000310058722 229487321 /nfs/dbraw/zinc/48/73/21/229487321.db2.gz DWIYBXDGRQHUFN-KBPBESRZSA-N 1 0 230.355 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1ccccn1 ZINC000310058724 388475683 /nfs/dbraw/zinc/47/56/83/388475683.db2.gz DWIYBXDGRQHUFN-UONOGXRCSA-N 1 0 230.355 3.621 20 0 BHADRO CCSCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000310060660 387534273 /nfs/dbraw/zinc/53/42/73/387534273.db2.gz GAAZTUHWOWQDBG-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCC1CCCC1 ZINC000310060919 491159924 /nfs/dbraw/zinc/15/99/24/491159924.db2.gz PKQAWVOYOPGKIY-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000310060920 491159960 /nfs/dbraw/zinc/15/99/60/491159960.db2.gz PKQAWVOYOPGKIY-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000310062810 533712746 /nfs/dbraw/zinc/71/27/46/533712746.db2.gz AFLPKNLMTNNMPD-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000310062812 388474718 /nfs/dbraw/zinc/47/47/18/388474718.db2.gz AFLPKNLMTNNMPD-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000310062813 388474562 /nfs/dbraw/zinc/47/45/62/388474562.db2.gz AFLPKNLMTNNMPD-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000310062815 388474918 /nfs/dbraw/zinc/47/49/18/388474918.db2.gz AFLPKNLMTNNMPD-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CCSCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000310063243 529178100 /nfs/dbraw/zinc/17/81/00/529178100.db2.gz NOYMFMHLJIYBTK-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000310063244 388474928 /nfs/dbraw/zinc/47/49/28/388474928.db2.gz NOYMFMHLJIYBTK-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC[C@@H]3C)C2)cc1 ZINC000310063706 388475599 /nfs/dbraw/zinc/47/55/99/388475599.db2.gz AONPEYAUYHRHAD-HOJRLLLISA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC[C@H]3C)C2)cc1 ZINC000310063707 388475371 /nfs/dbraw/zinc/47/53/71/388475371.db2.gz AONPEYAUYHRHAD-KKOFPSKJSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC[C@@H]3C)C2)cc1 ZINC000310063708 388475239 /nfs/dbraw/zinc/47/52/39/388475239.db2.gz AONPEYAUYHRHAD-MFNGEMCRSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC[C@H]3C)C2)cc1 ZINC000310063709 388475842 /nfs/dbraw/zinc/47/58/42/388475842.db2.gz AONPEYAUYHRHAD-TWRYWWQQSA-N 1 0 229.367 3.629 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1ccccn1 ZINC000310066088 388475583 /nfs/dbraw/zinc/47/55/83/388475583.db2.gz DWIYBXDGRQHUFN-KGLIPLIRSA-N 1 0 230.355 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1ccccn1 ZINC000310066089 388475731 /nfs/dbraw/zinc/47/57/31/388475731.db2.gz DWIYBXDGRQHUFN-ZIAGYGMSSA-N 1 0 230.355 3.621 20 0 BHADRO CCSCCC[NH2+]Cc1coc2ccccc12 ZINC000310067088 387534730 /nfs/dbraw/zinc/53/47/30/387534730.db2.gz GVQOBLQVXMMRII-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000310071323 347225432 /nfs/dbraw/zinc/22/54/32/347225432.db2.gz AGERIJUBINLWAB-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000310071326 384821951 /nfs/dbraw/zinc/82/19/51/384821951.db2.gz AGERIJUBINLWAB-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC[C@@H]2C)C1 ZINC000310073141 388475462 /nfs/dbraw/zinc/47/54/62/388475462.db2.gz FCYNIVVEWSHXPW-USPMSXPRSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC[C@H]2C)C1 ZINC000310073142 388475518 /nfs/dbraw/zinc/47/55/18/388475518.db2.gz FCYNIVVEWSHXPW-UWLZSVRSSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000310073143 388475565 /nfs/dbraw/zinc/47/55/65/388475565.db2.gz FCYNIVVEWSHXPW-WLIAPVHPSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC[C@H]2C)C1 ZINC000310073144 229488340 /nfs/dbraw/zinc/48/83/40/229488340.db2.gz FCYNIVVEWSHXPW-WOICTCIZSA-N 1 0 229.367 3.629 20 0 BHADRO CCOC[C@H]([NH2+][C@@H]1C=CCCCCC1)C(C)C ZINC000310073367 388475348 /nfs/dbraw/zinc/47/53/48/388475348.db2.gz QBOBNRGDYHYLCV-CABCVRRESA-N 1 0 239.403 3.526 20 0 BHADRO CCOC[C@H]([NH2+][C@H]1C=CCCCCC1)C(C)C ZINC000310073369 388475531 /nfs/dbraw/zinc/47/55/31/388475531.db2.gz QBOBNRGDYHYLCV-GJZGRUSLSA-N 1 0 239.403 3.526 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H]1C=CCCCCC1)C(C)C ZINC000310073371 528898579 /nfs/dbraw/zinc/89/85/79/528898579.db2.gz QBOBNRGDYHYLCV-HUUCEWRRSA-N 1 0 239.403 3.526 20 0 BHADRO CCOC[C@@H]([NH2+][C@H]1C=CCCCCC1)C(C)C ZINC000310073373 528898892 /nfs/dbraw/zinc/89/88/92/528898892.db2.gz QBOBNRGDYHYLCV-LSDHHAIUSA-N 1 0 239.403 3.526 20 0 BHADRO CCOCC(C)(C)C[NH2+]C1CCCCCCC1 ZINC000310084641 634249869 /nfs/dbraw/zinc/24/98/69/634249869.db2.gz FZGDJXFZASUNTI-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000310085256 343262965 /nfs/dbraw/zinc/26/29/65/343262965.db2.gz MZTWEUPMACJCAM-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000310085257 343262890 /nfs/dbraw/zinc/26/28/90/343262890.db2.gz MZTWEUPMACJCAM-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000310090545 634324565 /nfs/dbraw/zinc/32/45/65/634324565.db2.gz JDGSCQDCDZECRT-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000310090546 634069585 /nfs/dbraw/zinc/06/95/85/634069585.db2.gz JDGSCQDCDZECRT-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000310090547 634325649 /nfs/dbraw/zinc/32/56/49/634325649.db2.gz JDGSCQDCDZECRT-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000310090548 634324049 /nfs/dbraw/zinc/32/40/49/634324049.db2.gz JDGSCQDCDZECRT-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000310090952 388475468 /nfs/dbraw/zinc/47/54/68/388475468.db2.gz RBQUXSSLIQUORV-BXKDBHETSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000310090953 388475299 /nfs/dbraw/zinc/47/52/99/388475299.db2.gz RBQUXSSLIQUORV-CABZTGNLSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000310090954 388475509 /nfs/dbraw/zinc/47/55/09/388475509.db2.gz RBQUXSSLIQUORV-JOYOIKCWSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000310090955 388475536 /nfs/dbraw/zinc/47/55/36/388475536.db2.gz RBQUXSSLIQUORV-SKDRFNHKSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000310091433 534263451 /nfs/dbraw/zinc/26/34/51/534263451.db2.gz RKQKNBUJVXEINQ-KMUNFCNLSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000310091435 398053113 /nfs/dbraw/zinc/05/31/13/398053113.db2.gz RKQKNBUJVXEINQ-ONERCXAPSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000310091438 398053286 /nfs/dbraw/zinc/05/32/86/398053286.db2.gz RKQKNBUJVXEINQ-VCTAVGKDSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000310091440 398053304 /nfs/dbraw/zinc/05/33/04/398053304.db2.gz RKQKNBUJVXEINQ-WKPIXPDZSA-N 1 0 233.330 3.665 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c(C)c1 ZINC000310091908 398053246 /nfs/dbraw/zinc/05/32/46/398053246.db2.gz FRGAQPHBQPHWJF-IPYPFGDCSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c(C)c1 ZINC000310091909 229600478 /nfs/dbraw/zinc/60/04/78/229600478.db2.gz FRGAQPHBQPHWJF-KCQAQPDRSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c(C)c1 ZINC000310091910 384633021 /nfs/dbraw/zinc/63/30/21/384633021.db2.gz FRGAQPHBQPHWJF-VNHYZAJKSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c(C)c1 ZINC000310091911 384631150 /nfs/dbraw/zinc/63/11/50/384631150.db2.gz FRGAQPHBQPHWJF-YDHLFZDLSA-N 1 0 249.423 3.706 20 0 BHADRO CCCC1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000310094164 388475886 /nfs/dbraw/zinc/47/58/86/388475886.db2.gz KPYSSIMUWAKQCO-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310096341 388475649 /nfs/dbraw/zinc/47/56/49/388475649.db2.gz VHKHNIFUQVSIQL-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310096343 388475859 /nfs/dbraw/zinc/47/58/59/388475859.db2.gz VHKHNIFUQVSIQL-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310096345 388475688 /nfs/dbraw/zinc/47/56/88/388475688.db2.gz VHKHNIFUQVSIQL-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310096347 388475836 /nfs/dbraw/zinc/47/58/36/388475836.db2.gz VHKHNIFUQVSIQL-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1 ZINC000310099991 388475825 /nfs/dbraw/zinc/47/58/25/388475825.db2.gz KFFYQSOJPOKNGV-HUBLWGQQSA-N 1 0 249.423 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000310099993 388475581 /nfs/dbraw/zinc/47/55/81/388475581.db2.gz KFFYQSOJPOKNGV-SLEUVZQESA-N 1 0 249.423 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1 ZINC000310099995 388475373 /nfs/dbraw/zinc/47/53/73/388475373.db2.gz KFFYQSOJPOKNGV-TYNCELHUSA-N 1 0 249.423 3.651 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000310099997 388475500 /nfs/dbraw/zinc/47/55/00/388475500.db2.gz KFFYQSOJPOKNGV-XUJVJEKNSA-N 1 0 249.423 3.651 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000310101649 384638055 /nfs/dbraw/zinc/63/80/55/384638055.db2.gz YASGUVVKSZUTFB-HUBLWGQQSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000310101652 384639335 /nfs/dbraw/zinc/63/93/35/384639335.db2.gz YASGUVVKSZUTFB-SLEUVZQESA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000310101655 229600832 /nfs/dbraw/zinc/60/08/32/229600832.db2.gz YASGUVVKSZUTFB-TYNCELHUSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000310101657 384638787 /nfs/dbraw/zinc/63/87/87/384638787.db2.gz YASGUVVKSZUTFB-XUJVJEKNSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000310109265 388475551 /nfs/dbraw/zinc/47/55/51/388475551.db2.gz DUWXDWWLLITGDV-BXUZGUMPSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000310109266 388475535 /nfs/dbraw/zinc/47/55/35/388475535.db2.gz DUWXDWWLLITGDV-FZMZJTMJSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000310109267 388475433 /nfs/dbraw/zinc/47/54/33/388475433.db2.gz DUWXDWWLLITGDV-RISCZKNCSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000310109268 229488147 /nfs/dbraw/zinc/48/81/47/229488147.db2.gz DUWXDWWLLITGDV-SMDDNHRTSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000310116801 229487983 /nfs/dbraw/zinc/48/79/83/229487983.db2.gz STXGBVIYIWRIJJ-KBPBESRZSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCSC2)cc1 ZINC000310116804 388476674 /nfs/dbraw/zinc/47/66/74/388476674.db2.gz STXGBVIYIWRIJJ-UONOGXRCSA-N 1 0 249.423 3.789 20 0 BHADRO COCCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000310119305 174203710 /nfs/dbraw/zinc/20/37/10/174203710.db2.gz ADYOVEZCNIYNAN-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO COCCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310119306 174202434 /nfs/dbraw/zinc/20/24/34/174202434.db2.gz ADYOVEZCNIYNAN-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1 ZINC000310120801 387533537 /nfs/dbraw/zinc/53/35/37/387533537.db2.gz UQGMOWCVHNYKTM-DZGCQCFKSA-N 1 0 249.423 3.871 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1 ZINC000310120804 387534644 /nfs/dbraw/zinc/53/46/44/387534644.db2.gz UQGMOWCVHNYKTM-HIFRSBDPSA-N 1 0 249.423 3.871 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1 ZINC000310120807 358442823 /nfs/dbraw/zinc/44/28/23/358442823.db2.gz UQGMOWCVHNYKTM-UKRRQHHQSA-N 1 0 249.423 3.871 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1 ZINC000310120810 387534985 /nfs/dbraw/zinc/53/49/85/387534985.db2.gz UQGMOWCVHNYKTM-ZFWWWQNUSA-N 1 0 249.423 3.871 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000310123475 388476354 /nfs/dbraw/zinc/47/63/54/388476354.db2.gz VRGRLDQHCSSKQI-DOMZBBRYSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1 ZINC000310123476 388476474 /nfs/dbraw/zinc/47/64/74/388476474.db2.gz VRGRLDQHCSSKQI-IUODEOHRSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000310123477 388476559 /nfs/dbraw/zinc/47/65/59/388476559.db2.gz VRGRLDQHCSSKQI-SWLSCSKDSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1 ZINC000310123478 528101454 /nfs/dbraw/zinc/10/14/54/528101454.db2.gz VRGRLDQHCSSKQI-WFASDCNBSA-N 1 0 249.423 3.651 20 0 BHADRO CCSCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000310124206 388476708 /nfs/dbraw/zinc/47/67/08/388476708.db2.gz CMPKOJSAHIKOBF-HNNXBMFYSA-N 1 0 249.423 3.789 20 0 BHADRO CCSCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000310124207 388476331 /nfs/dbraw/zinc/47/63/31/388476331.db2.gz CMPKOJSAHIKOBF-OAHLLOKOSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000310129271 635163642 /nfs/dbraw/zinc/16/36/42/635163642.db2.gz HEJDDUSVHOGHLU-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000310129273 635165252 /nfs/dbraw/zinc/16/52/52/635165252.db2.gz HEJDDUSVHOGHLU-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO CC(C)OCCCC[NH2+]CC(C(C)C)C(C)C ZINC000310133617 527929128 /nfs/dbraw/zinc/92/91/28/527929128.db2.gz ZXGYAEMCBNSNFF-UHFFFAOYSA-N 1 0 243.435 3.709 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000310135215 388476667 /nfs/dbraw/zinc/47/66/67/388476667.db2.gz BHICTZTXQJUSJB-WAZAZEMKSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000310135542 491160470 /nfs/dbraw/zinc/16/04/70/491160470.db2.gz BWQZYCPPHVMXCX-CHWSQXEVSA-N 1 0 239.309 3.915 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000310135544 491160468 /nfs/dbraw/zinc/16/04/68/491160468.db2.gz BWQZYCPPHVMXCX-OLZOCXBDSA-N 1 0 239.309 3.915 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000310135546 491160462 /nfs/dbraw/zinc/16/04/62/491160462.db2.gz BWQZYCPPHVMXCX-QWHCGFSZSA-N 1 0 239.309 3.915 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000310135548 491160459 /nfs/dbraw/zinc/16/04/59/491160459.db2.gz BWQZYCPPHVMXCX-STQMWFEESA-N 1 0 239.309 3.915 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCF)cc1F ZINC000310140983 384644939 /nfs/dbraw/zinc/64/49/39/384644939.db2.gz CZMNQRZTXROMBI-GFCCVEGCSA-N 1 0 241.325 3.925 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000310143058 634078179 /nfs/dbraw/zinc/07/81/79/634078179.db2.gz FHZYVEUHOWCBBZ-XUJLQICISA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000310143060 634078072 /nfs/dbraw/zinc/07/80/72/634078072.db2.gz FHZYVEUHOWCBBZ-ZBCRRDGASA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ncccc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000310143224 388476597 /nfs/dbraw/zinc/47/65/97/388476597.db2.gz FMBHTBZLTMIHQL-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000310144628 388476202 /nfs/dbraw/zinc/47/62/02/388476202.db2.gz NRJFUMLUVSYTSH-UHFFFAOYSA-N 1 0 241.325 3.879 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000310145457 388476497 /nfs/dbraw/zinc/47/64/97/388476497.db2.gz GGDMCUWYCNTKCT-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000310145458 388476579 /nfs/dbraw/zinc/47/65/79/388476579.db2.gz GGDMCUWYCNTKCT-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CCSCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000310150351 384863263 /nfs/dbraw/zinc/86/32/63/384863263.db2.gz FQAJRRHHFRKKMI-DOMZBBRYSA-N 1 0 249.423 3.968 20 0 BHADRO CCSCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000310150352 384861926 /nfs/dbraw/zinc/86/19/26/384861926.db2.gz FQAJRRHHFRKKMI-IUODEOHRSA-N 1 0 249.423 3.968 20 0 BHADRO CCSCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000310150353 384861737 /nfs/dbraw/zinc/86/17/37/384861737.db2.gz FQAJRRHHFRKKMI-SWLSCSKDSA-N 1 0 249.423 3.968 20 0 BHADRO CCSCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000310150354 384861992 /nfs/dbraw/zinc/86/19/92/384861992.db2.gz FQAJRRHHFRKKMI-WFASDCNBSA-N 1 0 249.423 3.968 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150564 491160549 /nfs/dbraw/zinc/16/05/49/491160549.db2.gz HYSJVLNRGQHURF-BXKDBHETSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150565 491160557 /nfs/dbraw/zinc/16/05/57/491160557.db2.gz HYSJVLNRGQHURF-CABZTGNLSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150566 491160551 /nfs/dbraw/zinc/16/05/51/491160551.db2.gz HYSJVLNRGQHURF-JOYOIKCWSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150567 491160543 /nfs/dbraw/zinc/16/05/43/491160543.db2.gz HYSJVLNRGQHURF-SKDRFNHKSA-N 1 0 243.272 3.664 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000310152064 527706197 /nfs/dbraw/zinc/70/61/97/527706197.db2.gz IPCKERPIERXMTC-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000310152065 388476441 /nfs/dbraw/zinc/47/64/41/388476441.db2.gz IPCKERPIERXMTC-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(C)cc1 ZINC000310152816 387534835 /nfs/dbraw/zinc/53/48/35/387534835.db2.gz IBJHTPPZADHQPP-AEGPPILISA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(C)cc1 ZINC000310152817 171549443 /nfs/dbraw/zinc/54/94/43/171549443.db2.gz IBJHTPPZADHQPP-QEJZJMRPSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(C)cc1 ZINC000310152818 387534469 /nfs/dbraw/zinc/53/44/69/387534469.db2.gz IBJHTPPZADHQPP-SNPRPXQTSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(C)cc1 ZINC000310152819 387534917 /nfs/dbraw/zinc/53/49/17/387534917.db2.gz IBJHTPPZADHQPP-VHDGCEQUSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1CCOCC1 ZINC000310158205 388476658 /nfs/dbraw/zinc/47/66/58/388476658.db2.gz PCATZIFFNXLNSZ-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC1CCOCC1 ZINC000310158207 529337435 /nfs/dbraw/zinc/33/74/35/529337435.db2.gz PCATZIFFNXLNSZ-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC1CCOCC1 ZINC000310158209 388476463 /nfs/dbraw/zinc/47/64/63/388476463.db2.gz PCATZIFFNXLNSZ-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC1CCOCC1 ZINC000310158211 529683674 /nfs/dbraw/zinc/68/36/74/529683674.db2.gz PCATZIFFNXLNSZ-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000310159425 388476631 /nfs/dbraw/zinc/47/66/31/388476631.db2.gz KTTZSYAPCDIEEX-IPYPFGDCSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000310159426 388476624 /nfs/dbraw/zinc/47/66/24/388476624.db2.gz KTTZSYAPCDIEEX-NFAWXSAZSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000310159427 388476588 /nfs/dbraw/zinc/47/65/88/388476588.db2.gz KTTZSYAPCDIEEX-UMVBOHGHSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000310159428 388476585 /nfs/dbraw/zinc/47/65/85/388476585.db2.gz KTTZSYAPCDIEEX-VNHYZAJKSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000310161344 384651617 /nfs/dbraw/zinc/65/16/17/384651617.db2.gz IQQDJPULBUAGQS-BXKDBHETSA-N 1 0 249.741 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000310161345 384650580 /nfs/dbraw/zinc/65/05/80/384650580.db2.gz IQQDJPULBUAGQS-CABZTGNLSA-N 1 0 249.741 3.974 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000310161346 384649009 /nfs/dbraw/zinc/64/90/09/384649009.db2.gz IQQDJPULBUAGQS-JOYOIKCWSA-N 1 0 249.741 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000310161347 384644914 /nfs/dbraw/zinc/64/49/14/384644914.db2.gz IQQDJPULBUAGQS-SKDRFNHKSA-N 1 0 249.741 3.974 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)c1cccc(C)c1 ZINC000310161959 384868979 /nfs/dbraw/zinc/86/89/79/384868979.db2.gz QLBJNVDPRNONOR-HNNXBMFYSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)c1cccc(C)c1 ZINC000310161960 384869860 /nfs/dbraw/zinc/86/98/60/384869860.db2.gz QLBJNVDPRNONOR-OAHLLOKOSA-N 1 0 249.423 3.931 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000310162039 541355352 /nfs/dbraw/zinc/35/53/52/541355352.db2.gz MKCWDVOOCJBUNR-AGIUHOORSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000310162040 541355347 /nfs/dbraw/zinc/35/53/47/541355347.db2.gz MKCWDVOOCJBUNR-FRRDWIJNSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000310162041 541355373 /nfs/dbraw/zinc/35/53/73/541355373.db2.gz MKCWDVOOCJBUNR-JHJVBQTASA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000310162042 541355317 /nfs/dbraw/zinc/35/53/17/541355317.db2.gz MKCWDVOOCJBUNR-UPJWGTAASA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C[NH2+]CCc2ccc(F)cc2)CCCC1 ZINC000310163094 635278864 /nfs/dbraw/zinc/27/88/64/635278864.db2.gz QUIMHENJCPHRNF-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCC[C@@H]2CC)CCCC1 ZINC000310163648 343358299 /nfs/dbraw/zinc/35/82/99/343358299.db2.gz MZCZNSMCGGPNCH-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCC[C@H]2CC)CCCC1 ZINC000310163649 343358184 /nfs/dbraw/zinc/35/81/84/343358184.db2.gz MZCZNSMCGGPNCH-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCC[C@@H]2CC)CCCC1 ZINC000310163650 343358290 /nfs/dbraw/zinc/35/82/90/343358290.db2.gz MZCZNSMCGGPNCH-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCC[C@H]2CC)CCCC1 ZINC000310163651 343358380 /nfs/dbraw/zinc/35/83/80/343358380.db2.gz MZCZNSMCGGPNCH-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(C)c1 ZINC000310165075 171540272 /nfs/dbraw/zinc/54/02/72/171540272.db2.gz RKJYDASDTRLCPJ-CABCVRRESA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSC1)c1cccc(C)c1 ZINC000310165076 384865953 /nfs/dbraw/zinc/86/59/53/384865953.db2.gz RKJYDASDTRLCPJ-GJZGRUSLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(C)c1 ZINC000310165077 384866613 /nfs/dbraw/zinc/86/66/13/384866613.db2.gz RKJYDASDTRLCPJ-HUUCEWRRSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(C)c1 ZINC000310165078 384866943 /nfs/dbraw/zinc/86/69/43/384866943.db2.gz RKJYDASDTRLCPJ-LSDHHAIUSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cc(C[NH2+]CCc2cccc(F)c2)cs1 ZINC000310168151 178023605 /nfs/dbraw/zinc/02/36/05/178023605.db2.gz KIVZOVDKISEQHP-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cnc2ccsc2c1 ZINC000310168876 384875623 /nfs/dbraw/zinc/87/56/23/384875623.db2.gz KMXVGSAFMHBUJQ-JBLDHEPKSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cnc2ccsc2c1 ZINC000310168882 384874824 /nfs/dbraw/zinc/87/48/24/384874824.db2.gz KMXVGSAFMHBUJQ-JFGNBEQYSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cnc2ccsc2c1 ZINC000310168890 384875315 /nfs/dbraw/zinc/87/53/15/384875315.db2.gz KMXVGSAFMHBUJQ-NHCYSSNCSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cnc2ccsc2c1 ZINC000310168897 384877504 /nfs/dbraw/zinc/87/75/04/384877504.db2.gz KMXVGSAFMHBUJQ-SCVCMEIPSA-N 1 0 246.379 3.745 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)CCO1 ZINC000310170926 411218629 /nfs/dbraw/zinc/21/86/29/411218629.db2.gz POWYTNUZNLCFMB-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)CCO1 ZINC000310170928 411218198 /nfs/dbraw/zinc/21/81/98/411218198.db2.gz POWYTNUZNLCFMB-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)CCO1 ZINC000310170930 411217848 /nfs/dbraw/zinc/21/78/48/411217848.db2.gz POWYTNUZNLCFMB-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)CCO1 ZINC000310170932 411218689 /nfs/dbraw/zinc/21/86/89/411218689.db2.gz POWYTNUZNLCFMB-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000310176076 634082658 /nfs/dbraw/zinc/08/26/58/634082658.db2.gz VNQICZYPJFHXKX-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000310176078 634082936 /nfs/dbraw/zinc/08/29/36/634082936.db2.gz VNQICZYPJFHXKX-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO C[C@@H]1SCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000310177636 411218127 /nfs/dbraw/zinc/21/81/27/411218127.db2.gz RXEVKQYIISFHPL-CMPLNLGQSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@@H]1SCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000310177637 411218032 /nfs/dbraw/zinc/21/80/32/411218032.db2.gz RXEVKQYIISFHPL-JQWIXIFHSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@H]1SCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000310177638 411218656 /nfs/dbraw/zinc/21/86/56/411218656.db2.gz RXEVKQYIISFHPL-PWSUYJOCSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@H]1SCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000310177639 411218017 /nfs/dbraw/zinc/21/80/17/411218017.db2.gz RXEVKQYIISFHPL-ZYHUDNBSSA-N 1 0 244.363 3.541 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000310183144 229492189 /nfs/dbraw/zinc/49/21/89/229492189.db2.gz XULZXVHQFGTVMO-GFCCVEGCSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000310183145 388477533 /nfs/dbraw/zinc/47/75/33/388477533.db2.gz XULZXVHQFGTVMO-LBPRGKRZSA-N 1 0 245.391 3.950 20 0 BHADRO CC1(C)CCC(C[NH2+]CCc2ccco2)CC1 ZINC000310190075 384890145 /nfs/dbraw/zinc/89/01/45/384890145.db2.gz YOXZFDDWCUAYOV-UHFFFAOYSA-N 1 0 235.371 3.628 20 0 BHADRO CC(C)(CCc1ccccc1)[NH2+]CCCCF ZINC000310194771 384658943 /nfs/dbraw/zinc/65/89/43/384658943.db2.gz FIOQGLARHGJBTN-UHFFFAOYSA-N 1 0 237.362 3.737 20 0 BHADRO COC1(C[NH2+][C@H](C)C2CCCCC2)CCCC1 ZINC000310198986 388477551 /nfs/dbraw/zinc/47/75/51/388477551.db2.gz AMRHMMKMDLQOTJ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)C2CCCCC2)CCCC1 ZINC000310198987 388477842 /nfs/dbraw/zinc/47/78/42/388477842.db2.gz AMRHMMKMDLQOTJ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000310203673 634091738 /nfs/dbraw/zinc/09/17/38/634091738.db2.gz BHTIVIDAYJVDJN-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000310203675 635389595 /nfs/dbraw/zinc/38/95/95/635389595.db2.gz BHTIVIDAYJVDJN-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1cccc(C)c1 ZINC000310205268 384901871 /nfs/dbraw/zinc/90/18/71/384901871.db2.gz INJPGZSVFYFXBO-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1cccc(C)c1 ZINC000310205270 347247559 /nfs/dbraw/zinc/24/75/59/347247559.db2.gz INJPGZSVFYFXBO-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310216950 384908447 /nfs/dbraw/zinc/90/84/47/384908447.db2.gz FFOIDPWYEANRQH-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310216952 388477544 /nfs/dbraw/zinc/47/75/44/388477544.db2.gz FFOIDPWYEANRQH-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310216954 229492197 /nfs/dbraw/zinc/49/21/97/229492197.db2.gz FFOIDPWYEANRQH-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310216957 256529157 /nfs/dbraw/zinc/52/91/57/256529157.db2.gz FFOIDPWYEANRQH-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc(C)c1 ZINC000310218471 384909718 /nfs/dbraw/zinc/90/97/18/384909718.db2.gz MIPWBWWLEADOOG-DZGCQCFKSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccc(C)c1 ZINC000310218472 384908544 /nfs/dbraw/zinc/90/85/44/384908544.db2.gz MIPWBWWLEADOOG-HIFRSBDPSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc(C)c1 ZINC000310218473 170901173 /nfs/dbraw/zinc/90/11/73/170901173.db2.gz MIPWBWWLEADOOG-UKRRQHHQSA-N 1 0 249.423 3.789 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc(C)c1 ZINC000310218474 384909394 /nfs/dbraw/zinc/90/93/94/384909394.db2.gz MIPWBWWLEADOOG-ZFWWWQNUSA-N 1 0 249.423 3.789 20 0 BHADRO FCCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000310221277 180926307 /nfs/dbraw/zinc/92/63/07/180926307.db2.gz NBHZWINSRVITTN-UHFFFAOYSA-N 1 0 249.251 3.545 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CCCCF ZINC000310224709 384911575 /nfs/dbraw/zinc/91/15/75/384911575.db2.gz GPPWFPKJVXWRMY-UHFFFAOYSA-N 1 0 235.302 3.581 20 0 BHADRO FCCCC[NH2+]Cc1cccc2ccccc21 ZINC000310225138 384912815 /nfs/dbraw/zinc/91/28/15/384912815.db2.gz OFDAQWOYWKPJBI-UHFFFAOYSA-N 1 0 231.314 3.679 20 0 BHADRO FCCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000310226515 384089043 /nfs/dbraw/zinc/08/90/43/384089043.db2.gz ORHRYYXGHNYUJM-UHFFFAOYSA-N 1 0 249.251 3.545 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000310227038 176237694 /nfs/dbraw/zinc/23/76/94/176237694.db2.gz YITWLUNBOXNFMJ-DAXOMENPSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000310227041 176218123 /nfs/dbraw/zinc/21/81/23/176218123.db2.gz YITWLUNBOXNFMJ-KCXAZCMYSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000310227044 176217780 /nfs/dbraw/zinc/21/77/80/176217780.db2.gz YITWLUNBOXNFMJ-UHOFOFEASA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000310227047 176237730 /nfs/dbraw/zinc/23/77/30/176237730.db2.gz YITWLUNBOXNFMJ-WQVCFCJDSA-N 1 0 229.367 3.842 20 0 BHADRO Cc1cc(NCCCCF)c2ccccc2[nH+]1 ZINC000310228599 178158824 /nfs/dbraw/zinc/15/88/24/178158824.db2.gz HCWYWXZHZVNJLL-UHFFFAOYSA-N 1 0 232.302 3.705 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccccc2F)cs1 ZINC000310232546 178023267 /nfs/dbraw/zinc/02/32/67/178023267.db2.gz ZKNIGILWADPVNT-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO FCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310232944 384917239 /nfs/dbraw/zinc/91/72/39/384917239.db2.gz QMXFUSKUNSZNSE-UHFFFAOYSA-N 1 0 249.251 3.545 20 0 BHADRO FCCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000310237327 387535803 /nfs/dbraw/zinc/53/58/03/387535803.db2.gz RYHQAWRKKQPHMB-LLVKDONJSA-N 1 0 249.251 3.629 20 0 BHADRO FCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000310237743 387535936 /nfs/dbraw/zinc/53/59/36/387535936.db2.gz RYHQAWRKKQPHMB-NSHDSACASA-N 1 0 249.251 3.629 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000310241160 384922408 /nfs/dbraw/zinc/92/24/08/384922408.db2.gz BOHYPTZUQQZOKU-ILDUYXDCSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000310241161 384724750 /nfs/dbraw/zinc/72/47/50/384724750.db2.gz BOHYPTZUQQZOKU-VQXHTEKXSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000310241178 529033146 /nfs/dbraw/zinc/03/31/46/529033146.db2.gz BOUIORHYUZCCPH-KBPBESRZSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000310241179 529031953 /nfs/dbraw/zinc/03/19/53/529031953.db2.gz BOUIORHYUZCCPH-KGLIPLIRSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000310241180 384732217 /nfs/dbraw/zinc/73/22/17/384732217.db2.gz BOUIORHYUZCCPH-UONOGXRCSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000310241181 384732792 /nfs/dbraw/zinc/73/27/92/384732792.db2.gz BOUIORHYUZCCPH-ZIAGYGMSSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000310242555 527178187 /nfs/dbraw/zinc/17/81/87/527178187.db2.gz BUNODQGKLVNJSI-AWEZNQCLSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000310242557 384733424 /nfs/dbraw/zinc/73/34/24/384733424.db2.gz BUNODQGKLVNJSI-CQSZACIVSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC1(OC)CCC1 ZINC000310244759 388479019 /nfs/dbraw/zinc/47/90/19/388479019.db2.gz JFJKJMVGDOFFHL-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(OC)CCC1 ZINC000310244760 256611604 /nfs/dbraw/zinc/61/16/04/256611604.db2.gz JFJKJMVGDOFFHL-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCC1(OC)CCC1 ZINC000310244761 388478858 /nfs/dbraw/zinc/47/88/58/388478858.db2.gz JFJKJMVGDOFFHL-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC1(OC)CCC1 ZINC000310244762 384731065 /nfs/dbraw/zinc/73/10/65/384731065.db2.gz JFJKJMVGDOFFHL-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cc1F ZINC000310246358 384723998 /nfs/dbraw/zinc/72/39/98/384723998.db2.gz CSIMOPGCXRJXHC-BXUZGUMPSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)cc1F ZINC000310246359 229602262 /nfs/dbraw/zinc/60/22/62/229602262.db2.gz CSIMOPGCXRJXHC-FZMZJTMJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1F ZINC000310246360 229602005 /nfs/dbraw/zinc/60/20/05/229602005.db2.gz CSIMOPGCXRJXHC-RISCZKNCSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cc1F ZINC000310246361 229601676 /nfs/dbraw/zinc/60/16/76/229601676.db2.gz CSIMOPGCXRJXHC-SMDDNHRTSA-N 1 0 235.346 3.973 20 0 BHADRO FCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000310246869 384724213 /nfs/dbraw/zinc/72/42/13/384724213.db2.gz VYOAMUBVYHDQHU-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000310246873 384723907 /nfs/dbraw/zinc/72/39/07/384723907.db2.gz VYOAMUBVYHDQHU-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000310251091 384727252 /nfs/dbraw/zinc/72/72/52/384727252.db2.gz FUSOYWMROGQJAW-CYBMUJFWSA-N 1 0 243.435 3.854 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000310251092 384728961 /nfs/dbraw/zinc/72/89/61/384728961.db2.gz FUSOYWMROGQJAW-ZDUSSCGKSA-N 1 0 243.435 3.854 20 0 BHADRO CCSCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000310253643 384928468 /nfs/dbraw/zinc/92/84/68/384928468.db2.gz XHDBDBBJKZLPNR-UHFFFAOYSA-N 1 0 249.423 3.584 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000310258571 528568662 /nfs/dbraw/zinc/56/86/62/528568662.db2.gz HEFYNECZFXBEPY-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000310258572 388478827 /nfs/dbraw/zinc/47/88/27/388478827.db2.gz HEFYNECZFXBEPY-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCSC(C)C)CC2 ZINC000310259006 384731088 /nfs/dbraw/zinc/73/10/88/384731088.db2.gz YYWBMVQNFKVKIN-HNNXBMFYSA-N 1 0 249.423 3.714 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCSC(C)C)CC2 ZINC000310259009 534451706 /nfs/dbraw/zinc/45/17/06/534451706.db2.gz YYWBMVQNFKVKIN-OAHLLOKOSA-N 1 0 249.423 3.714 20 0 BHADRO FCCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000310262056 384731286 /nfs/dbraw/zinc/73/12/86/384731286.db2.gz MAFVFHWPUUKYKJ-UHFFFAOYSA-N 1 0 231.314 3.679 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000310262474 386378228 /nfs/dbraw/zinc/37/82/28/386378228.db2.gz DFVPMYZYHFYQJH-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000310262475 388478221 /nfs/dbraw/zinc/47/82/21/388478221.db2.gz DFVPMYZYHFYQJH-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000310262476 388478867 /nfs/dbraw/zinc/47/88/67/388478867.db2.gz DFVPMYZYHFYQJH-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000310262477 388478214 /nfs/dbraw/zinc/47/82/14/388478214.db2.gz DFVPMYZYHFYQJH-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO CCC(CC)(CO)C[NH2+][C@H](C)CCC(C)(C)C ZINC000310262539 528707721 /nfs/dbraw/zinc/70/77/21/528707721.db2.gz DLMKWWRYRHZBIH-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCC(CC)(CO)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000310262540 388478898 /nfs/dbraw/zinc/47/88/98/388478898.db2.gz DLMKWWRYRHZBIH-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000310263272 388479016 /nfs/dbraw/zinc/47/90/16/388479016.db2.gz GSZBGTZZFAEZDQ-DYEKYZERSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000310263274 388478242 /nfs/dbraw/zinc/47/82/42/388478242.db2.gz GSZBGTZZFAEZDQ-MBNYWOFBSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000310263276 388478970 /nfs/dbraw/zinc/47/89/70/388478970.db2.gz GSZBGTZZFAEZDQ-OBJOEFQTSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000310263278 388479025 /nfs/dbraw/zinc/47/90/25/388479025.db2.gz GSZBGTZZFAEZDQ-SGMGOOAPSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)([NH2+]CCc1cccs1)c1ccccc1 ZINC000310263612 636006431 /nfs/dbraw/zinc/00/64/31/636006431.db2.gz LZQFGDZDSUTWEC-UHFFFAOYSA-N 1 0 245.391 3.816 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000310263776 533523253 /nfs/dbraw/zinc/52/32/53/533523253.db2.gz RBEGXPGLEUHFHK-WAZAZEMKSA-N 1 0 233.330 3.665 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000310274918 384930445 /nfs/dbraw/zinc/93/04/45/384930445.db2.gz JINHXYHSOYHDEY-KBPBESRZSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000310274919 388479627 /nfs/dbraw/zinc/47/96/27/388479627.db2.gz JINHXYHSOYHDEY-KGLIPLIRSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000310274920 388479842 /nfs/dbraw/zinc/47/98/42/388479842.db2.gz JINHXYHSOYHDEY-UONOGXRCSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000310274921 388479496 /nfs/dbraw/zinc/47/94/96/388479496.db2.gz JINHXYHSOYHDEY-ZIAGYGMSSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1ccc(C[NH2+]C(C2CCC2)C2CCC2)o1 ZINC000310279728 387537006 /nfs/dbraw/zinc/53/70/06/387537006.db2.gz VZWKXGHPMKMBIE-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000310281727 487588510 /nfs/dbraw/zinc/58/85/10/487588510.db2.gz XWOSIMZMYVAMOA-NXEZZACHSA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000310281728 487588736 /nfs/dbraw/zinc/58/87/36/487588736.db2.gz XWOSIMZMYVAMOA-UWVGGRQHSA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000310281729 487588999 /nfs/dbraw/zinc/58/89/99/487588999.db2.gz XWOSIMZMYVAMOA-VHSXEESVSA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000310281730 487588880 /nfs/dbraw/zinc/58/88/80/487588880.db2.gz XWOSIMZMYVAMOA-ZJUUUORDSA-N 1 0 238.375 3.624 20 0 BHADRO c1coc(C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000310282161 384748957 /nfs/dbraw/zinc/74/89/57/384748957.db2.gz PUGPSJWEYXXXHO-AWEZNQCLSA-N 1 0 233.355 3.872 20 0 BHADRO c1coc(C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000310282165 384749409 /nfs/dbraw/zinc/74/94/09/384749409.db2.gz PUGPSJWEYXXXHO-CQSZACIVSA-N 1 0 233.355 3.872 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC1(C)C ZINC000310282922 388479926 /nfs/dbraw/zinc/47/99/26/388479926.db2.gz LKKLSFKWTQGMFS-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCC1(C)C ZINC000310282923 388479609 /nfs/dbraw/zinc/47/96/09/388479609.db2.gz LKKLSFKWTQGMFS-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC1(C)C ZINC000310282924 229494578 /nfs/dbraw/zinc/49/45/78/229494578.db2.gz LKKLSFKWTQGMFS-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC1(C)C ZINC000310282925 388479803 /nfs/dbraw/zinc/47/98/03/388479803.db2.gz LKKLSFKWTQGMFS-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccc(F)cc2)cs1 ZINC000310283039 178023408 /nfs/dbraw/zinc/02/34/08/178023408.db2.gz LLZQJPMQBFRCMS-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO c1ccc2c(c1)ccnc2N1CCCCCC1 ZINC000310284060 323129976 /nfs/dbraw/zinc/12/99/76/323129976.db2.gz LPEGRSVWIRZRSQ-UHFFFAOYSA-N 1 0 226.323 3.615 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000310284315 487588606 /nfs/dbraw/zinc/58/86/06/487588606.db2.gz XFPFLJDCOMXPRP-XUWVNRHRSA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CCCCF)cc1 ZINC000310285564 526778531 /nfs/dbraw/zinc/77/85/31/526778531.db2.gz QKSYJLLXISDOLI-UHFFFAOYSA-N 1 0 237.362 3.823 20 0 BHADRO Cc1cnccc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000310289416 323129979 /nfs/dbraw/zinc/12/99/79/323129979.db2.gz IGMLHVLCXJUMIX-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000310289421 323129946 /nfs/dbraw/zinc/12/99/46/323129946.db2.gz IGMLHVLCXJUMIX-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1sccc1C[NH2+]CCCc1ccccc1 ZINC000310300424 388479755 /nfs/dbraw/zinc/47/97/55/388479755.db2.gz UESPMAUWINZGOC-UHFFFAOYSA-N 1 0 245.391 3.779 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000310303638 388479847 /nfs/dbraw/zinc/47/98/47/388479847.db2.gz CEJRIAWMADQDBB-DSJMHWKBSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000310303639 388479408 /nfs/dbraw/zinc/47/94/08/388479408.db2.gz CEJRIAWMADQDBB-HGTKMLMNSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000310303640 388479236 /nfs/dbraw/zinc/47/92/36/388479236.db2.gz CEJRIAWMADQDBB-IXYNUQLISA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000310303641 388479521 /nfs/dbraw/zinc/47/95/21/388479521.db2.gz CEJRIAWMADQDBB-KNCOVGOOSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)CCCO ZINC000310304270 384750183 /nfs/dbraw/zinc/75/01/83/384750183.db2.gz QGMNESSUHNMIGU-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC(C)(C)CCCO ZINC000310304272 384750499 /nfs/dbraw/zinc/75/04/99/384750499.db2.gz QGMNESSUHNMIGU-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO FCCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000310305117 180926534 /nfs/dbraw/zinc/92/65/34/180926534.db2.gz VFQZOFHLGUSVPR-HNNXBMFYSA-N 1 0 235.346 3.793 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000310305118 180926646 /nfs/dbraw/zinc/92/66/46/180926646.db2.gz VFQZOFHLGUSVPR-OAHLLOKOSA-N 1 0 235.346 3.793 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000310305329 386388074 /nfs/dbraw/zinc/38/80/74/386388074.db2.gz QSQZXCGKKSPCGQ-AWEZNQCLSA-N 1 0 243.435 3.996 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000310305331 527930537 /nfs/dbraw/zinc/93/05/37/527930537.db2.gz QSQZXCGKKSPCGQ-CQSZACIVSA-N 1 0 243.435 3.996 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310314672 533111561 /nfs/dbraw/zinc/11/15/61/533111561.db2.gz UUKZSVCPWWNXPF-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310314673 388480780 /nfs/dbraw/zinc/48/07/80/388480780.db2.gz UUKZSVCPWWNXPF-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000310316587 528913976 /nfs/dbraw/zinc/91/39/76/528913976.db2.gz FWNSIRSEJWWMKM-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000310316589 384767460 /nfs/dbraw/zinc/76/74/60/384767460.db2.gz FWNSIRSEJWWMKM-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000310317180 384767279 /nfs/dbraw/zinc/76/72/79/384767279.db2.gz GAPAKTGRYQIWML-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]CCCCF)cc1 ZINC000310319031 388480806 /nfs/dbraw/zinc/48/08/06/388480806.db2.gz YCPLODWXLRJWPF-UHFFFAOYSA-N 1 0 237.362 3.724 20 0 BHADRO Cc1ccc(C2CC([NH2+]CCCCF)C2)cc1 ZINC000310320811 259380942 /nfs/dbraw/zinc/38/09/42/259380942.db2.gz YPUWPZQUURLKRV-UHFFFAOYSA-N 1 0 235.346 3.580 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(F)ccc1OC ZINC000310324893 388481045 /nfs/dbraw/zinc/48/10/45/388481045.db2.gz AGUDFKKVPXJCHP-LLVKDONJSA-N 1 0 239.334 3.503 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(F)ccc1OC ZINC000310324896 388480945 /nfs/dbraw/zinc/48/09/45/388480945.db2.gz AGUDFKKVPXJCHP-NSHDSACASA-N 1 0 239.334 3.503 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCC1CCOCC1 ZINC000310325050 259381501 /nfs/dbraw/zinc/38/15/01/259381501.db2.gz KKNZARKBOCNCPO-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000310325906 388480826 /nfs/dbraw/zinc/48/08/26/388480826.db2.gz YRUYVPZBUSQBKW-KBPBESRZSA-N 1 0 249.785 3.585 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000310325908 388480755 /nfs/dbraw/zinc/48/07/55/388480755.db2.gz YRUYVPZBUSQBKW-KGLIPLIRSA-N 1 0 249.785 3.585 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000310325910 388480914 /nfs/dbraw/zinc/48/09/14/388480914.db2.gz YRUYVPZBUSQBKW-UONOGXRCSA-N 1 0 249.785 3.585 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000310325912 388480850 /nfs/dbraw/zinc/48/08/50/388480850.db2.gz YRUYVPZBUSQBKW-ZIAGYGMSSA-N 1 0 249.785 3.585 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000310326623 384984213 /nfs/dbraw/zinc/98/42/13/384984213.db2.gz KSVJUHLSLRFLGN-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000310326625 169510494 /nfs/dbraw/zinc/51/04/94/169510494.db2.gz KSVJUHLSLRFLGN-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000310326627 384982500 /nfs/dbraw/zinc/98/25/00/384982500.db2.gz KSVJUHLSLRFLGN-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000310326628 384982888 /nfs/dbraw/zinc/98/28/88/384982888.db2.gz KSVJUHLSLRFLGN-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000310330037 388480536 /nfs/dbraw/zinc/48/05/36/388480536.db2.gz AAAICKMADGDINC-FLRBZUCHSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000310330041 533722507 /nfs/dbraw/zinc/72/25/07/533722507.db2.gz AAAICKMADGDINC-QZLRTXKQSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000310330045 388480856 /nfs/dbraw/zinc/48/08/56/388480856.db2.gz AAAICKMADGDINC-TVRADYJESA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000310330048 388480735 /nfs/dbraw/zinc/48/07/35/388480735.db2.gz AAAICKMADGDINC-ZIULKBFBSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310334474 229498128 /nfs/dbraw/zinc/49/81/28/229498128.db2.gz AWWMNCIGKGIXFH-DZGCQCFKSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310334479 388480567 /nfs/dbraw/zinc/48/05/67/388480567.db2.gz AWWMNCIGKGIXFH-HIFRSBDPSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310334481 229498362 /nfs/dbraw/zinc/49/83/62/229498362.db2.gz AWWMNCIGKGIXFH-UKRRQHHQSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310334484 388480980 /nfs/dbraw/zinc/48/09/80/388480980.db2.gz AWWMNCIGKGIXFH-ZFWWWQNUSA-N 1 0 231.383 3.704 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000310334961 347265201 /nfs/dbraw/zinc/26/52/01/347265201.db2.gz BCAJSJCIVTWDGG-CABCVRRESA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000310334964 347265393 /nfs/dbraw/zinc/26/53/93/347265393.db2.gz BCAJSJCIVTWDGG-GJZGRUSLSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000310334968 187311988 /nfs/dbraw/zinc/31/19/88/187311988.db2.gz BCAJSJCIVTWDGG-HUUCEWRRSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000310334972 384985114 /nfs/dbraw/zinc/98/51/14/384985114.db2.gz BCAJSJCIVTWDGG-LSDHHAIUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCC2(C)C)o1 ZINC000310337312 384996104 /nfs/dbraw/zinc/99/61/04/384996104.db2.gz BTEUJLPGYVIMKD-MPKXVKKWSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC2(C)C)o1 ZINC000310337313 384994685 /nfs/dbraw/zinc/99/46/85/384994685.db2.gz BTEUJLPGYVIMKD-OSMZGAPFSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCC2(C)C)o1 ZINC000310337314 384995400 /nfs/dbraw/zinc/99/54/00/384995400.db2.gz BTEUJLPGYVIMKD-QKCSRTOESA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC2(C)C)o1 ZINC000310337315 384994070 /nfs/dbraw/zinc/99/40/70/384994070.db2.gz BTEUJLPGYVIMKD-SCDSUCTJSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1C ZINC000310339163 491161085 /nfs/dbraw/zinc/16/10/85/491161085.db2.gz NOZMRNDZTSXCFU-CYBMUJFWSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1C ZINC000310339166 491161084 /nfs/dbraw/zinc/16/10/84/491161084.db2.gz NOZMRNDZTSXCFU-ZDUSSCGKSA-N 1 0 239.309 3.581 20 0 BHADRO COC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC000310340053 229498487 /nfs/dbraw/zinc/49/84/87/229498487.db2.gz NVHUTNQINSJQJO-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000310342025 388480906 /nfs/dbraw/zinc/48/09/06/388480906.db2.gz MUWFVJIVJOSHEJ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000310342026 388480301 /nfs/dbraw/zinc/48/03/01/388480301.db2.gz MUWFVJIVJOSHEJ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000310342027 388480773 /nfs/dbraw/zinc/48/07/73/388480773.db2.gz MUWFVJIVJOSHEJ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000310342028 528568639 /nfs/dbraw/zinc/56/86/39/528568639.db2.gz MUWFVJIVJOSHEJ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)c(C)c1 ZINC000310342685 491161125 /nfs/dbraw/zinc/16/11/25/491161125.db2.gz OLMBTJAKZKYOSX-CYBMUJFWSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)c(C)c1 ZINC000310342877 491161124 /nfs/dbraw/zinc/16/11/24/491161124.db2.gz OLMBTJAKZKYOSX-ZDUSSCGKSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1ccccc1CNc1cc[nH+]c(C)c1Cl ZINC000310344811 179285363 /nfs/dbraw/zinc/28/53/63/179285363.db2.gz FSIBNZGQIDMPPR-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000310346740 491161132 /nfs/dbraw/zinc/16/11/32/491161132.db2.gz PMPMIMZJGLUHKS-CYBMUJFWSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000310346741 491161118 /nfs/dbraw/zinc/16/11/18/491161118.db2.gz PMPMIMZJGLUHKS-ZDUSSCGKSA-N 1 0 239.309 3.581 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000310346894 388480355 /nfs/dbraw/zinc/48/03/55/388480355.db2.gz FPEJBGDBPCSQGW-BPUTZDHNSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000310346895 527759428 /nfs/dbraw/zinc/75/94/28/527759428.db2.gz FPEJBGDBPCSQGW-CWRNSKLLSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000310346896 388480449 /nfs/dbraw/zinc/48/04/49/388480449.db2.gz FPEJBGDBPCSQGW-IMJJTQAJSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000310346897 527760157 /nfs/dbraw/zinc/76/01/57/527760157.db2.gz FPEJBGDBPCSQGW-NUEKZKHPSA-N 1 0 231.383 3.957 20 0 BHADRO CCOCC(C)(C)C[NH2+]CC1CCCCCC1 ZINC000310348264 256611768 /nfs/dbraw/zinc/61/17/68/256611768.db2.gz OOHVIXNMCHGNBI-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCF)C[C@@H](c2ccccc2)C1 ZINC000310348343 388480993 /nfs/dbraw/zinc/48/09/93/388480993.db2.gz FYUMQPFYHXLZJC-AEGPPILISA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCF)C1 ZINC000310348344 388480940 /nfs/dbraw/zinc/48/09/40/388480940.db2.gz FYUMQPFYHXLZJC-CFVMTHIKSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCF)C[C@H](c2ccccc2)C1 ZINC000310348345 388480662 /nfs/dbraw/zinc/48/06/62/388480662.db2.gz FYUMQPFYHXLZJC-NWANDNLSSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCF)C[C@@H](c2ccccc2)C1 ZINC000310348346 388481039 /nfs/dbraw/zinc/48/10/39/388481039.db2.gz FYUMQPFYHXLZJC-QEJZJMRPSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000310351364 384795585 /nfs/dbraw/zinc/79/55/85/384795585.db2.gz GZCTUSRGQAIEOQ-BLLLJJGKSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000310351365 384795577 /nfs/dbraw/zinc/79/55/77/384795577.db2.gz GZCTUSRGQAIEOQ-LRDDRELGSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000310351366 384794316 /nfs/dbraw/zinc/79/43/16/384794316.db2.gz GZCTUSRGQAIEOQ-MLGOLLRUSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000310351367 323083851 /nfs/dbraw/zinc/08/38/51/323083851.db2.gz GZCTUSRGQAIEOQ-WBMJQRKESA-N 1 0 225.335 3.728 20 0 BHADRO COC1(CC[NH2+]C2CCCCCCC2)CCC1 ZINC000310352153 634130985 /nfs/dbraw/zinc/13/09/85/634130985.db2.gz QWLANSKUFNCSBU-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)c2ccccc21 ZINC000310352555 176375192 /nfs/dbraw/zinc/37/51/92/176375192.db2.gz PSZAFSOFTFLPHC-BXKDBHETSA-N 1 0 243.272 3.777 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)c2ccccc21 ZINC000310352561 177330582 /nfs/dbraw/zinc/33/05/82/177330582.db2.gz PSZAFSOFTFLPHC-JOYOIKCWSA-N 1 0 243.272 3.777 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)c2ccccc21 ZINC000310352562 384144416 /nfs/dbraw/zinc/14/44/16/384144416.db2.gz PSZAFSOFTFLPHC-SKDRFNHKSA-N 1 0 243.272 3.777 20 0 BHADRO COC1(CC[NH2+]C(C)(C)CC(C)(C)C)CCC1 ZINC000310358466 388480832 /nfs/dbraw/zinc/48/08/32/388480832.db2.gz SPVHXZAYCVRICH-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CCOCC(C)(C)C[NH2+]CCC1CCCCC1 ZINC000310358582 388481279 /nfs/dbraw/zinc/48/12/79/388481279.db2.gz RTGOAZFKPSJTGQ-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@H]2C)C2CC2)cc1 ZINC000310360040 388481678 /nfs/dbraw/zinc/48/16/78/388481678.db2.gz JUEXQTDDYSAHSE-KCXAZCMYSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000310360041 385008553 /nfs/dbraw/zinc/00/85/53/385008553.db2.gz JUEXQTDDYSAHSE-MAZHCROVSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000310360042 388481879 /nfs/dbraw/zinc/48/18/79/388481879.db2.gz JUEXQTDDYSAHSE-RCBQFDQVSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C)C2CC2)cc1 ZINC000310360043 388481540 /nfs/dbraw/zinc/48/15/40/388481540.db2.gz JUEXQTDDYSAHSE-WQVCFCJDSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)o1 ZINC000310366285 370339975 /nfs/dbraw/zinc/33/99/75/370339975.db2.gz WEYKJVXTKRWUGY-GFCCVEGCSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C2CCCCC2)o1 ZINC000310366287 370339867 /nfs/dbraw/zinc/33/98/67/370339867.db2.gz WEYKJVXTKRWUGY-LBPRGKRZSA-N 1 0 235.371 3.894 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000310367362 388481309 /nfs/dbraw/zinc/48/13/09/388481309.db2.gz MNTKFMCGLJNEJR-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000310367363 529051563 /nfs/dbraw/zinc/05/15/63/529051563.db2.gz MNTKFMCGLJNEJR-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1CCC([NH2+]CCC2(OC)CCC2)CC1 ZINC000310371359 385016408 /nfs/dbraw/zinc/01/64/08/385016408.db2.gz XVCOOHNBSYBCJH-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000310373273 384804762 /nfs/dbraw/zinc/80/47/62/384804762.db2.gz OPIRGGURVZGLHS-DZGCQCFKSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000310373274 384804679 /nfs/dbraw/zinc/80/46/79/384804679.db2.gz OPIRGGURVZGLHS-HIFRSBDPSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000310373275 384803522 /nfs/dbraw/zinc/80/35/22/384803522.db2.gz OPIRGGURVZGLHS-UKRRQHHQSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000310373276 384802511 /nfs/dbraw/zinc/80/25/11/384802511.db2.gz OPIRGGURVZGLHS-ZFWWWQNUSA-N 1 0 231.383 3.786 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000310374877 491161211 /nfs/dbraw/zinc/16/12/11/491161211.db2.gz ZFZCQNXVIVDNIT-NEPJUHHUSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310374878 491161193 /nfs/dbraw/zinc/16/11/93/491161193.db2.gz ZFZCQNXVIVDNIT-NWDGAFQWSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000310374879 491161188 /nfs/dbraw/zinc/16/11/88/491161188.db2.gz ZFZCQNXVIVDNIT-RYUDHWBXSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310374880 491161175 /nfs/dbraw/zinc/16/11/75/491161175.db2.gz ZFZCQNXVIVDNIT-VXGBXAGGSA-N 1 0 239.309 3.833 20 0 BHADRO CCOC1(C[NH2+][C@@H](C)CCC(C)C)CCCC1 ZINC000310376237 385025259 /nfs/dbraw/zinc/02/52/59/385025259.db2.gz ZXNNRVBXYJMUJL-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC1(C[NH2+][C@H](C)CCC(C)C)CCCC1 ZINC000310376238 528472874 /nfs/dbraw/zinc/47/28/74/528472874.db2.gz ZXNNRVBXYJMUJL-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO COc1ccccc1C[NH2+]C(C)(C)C(C)(C)C ZINC000310378075 388481954 /nfs/dbraw/zinc/48/19/54/388481954.db2.gz GJKXHUDAKVLVKK-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO CC(C)SCC[NH2+]C1CC(c2ccccc2)C1 ZINC000310385167 528319324 /nfs/dbraw/zinc/31/93/24/528319324.db2.gz DMDUGXFKRXMQPW-UHFFFAOYSA-N 1 0 249.423 3.664 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310388620 388481690 /nfs/dbraw/zinc/48/16/90/388481690.db2.gz KPESVRYQSRYDNW-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310388622 388481738 /nfs/dbraw/zinc/48/17/38/388481738.db2.gz KPESVRYQSRYDNW-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310388972 388481975 /nfs/dbraw/zinc/48/19/75/388481975.db2.gz KPESVRYQSRYDNW-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310388974 388481977 /nfs/dbraw/zinc/48/19/77/388481977.db2.gz KPESVRYQSRYDNW-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]CC1(SC)CC1)c1cccc(C)c1 ZINC000310389331 385028007 /nfs/dbraw/zinc/02/80/07/385028007.db2.gz FSJXWJVZAYTFMU-AWEZNQCLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]CC1(SC)CC1)c1cccc(C)c1 ZINC000310389338 170892681 /nfs/dbraw/zinc/89/26/81/170892681.db2.gz FSJXWJVZAYTFMU-CQSZACIVSA-N 1 0 249.423 3.931 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000310389764 259382202 /nfs/dbraw/zinc/38/22/02/259382202.db2.gz RJBBNBFLPNTLIC-GFCCVEGCSA-N 1 0 246.379 3.575 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000310389765 259382285 /nfs/dbraw/zinc/38/22/85/259382285.db2.gz RJBBNBFLPNTLIC-LBPRGKRZSA-N 1 0 246.379 3.575 20 0 BHADRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395751 259382136 /nfs/dbraw/zinc/38/21/36/259382136.db2.gz FMQXLXCWNPABBN-KBPBESRZSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395752 259382121 /nfs/dbraw/zinc/38/21/21/259382121.db2.gz FMQXLXCWNPABBN-KGLIPLIRSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395753 343470423 /nfs/dbraw/zinc/47/04/23/343470423.db2.gz FMQXLXCWNPABBN-UONOGXRCSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395754 343470485 /nfs/dbraw/zinc/47/04/85/343470485.db2.gz FMQXLXCWNPABBN-ZIAGYGMSSA-N 1 0 242.451 3.520 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC2)C1 ZINC000310400094 229499872 /nfs/dbraw/zinc/49/98/72/229499872.db2.gz UHJUBCVKTNLBOR-BJJXKVORSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC2)C[C@@H](c2ccccc2)C1 ZINC000310400098 388481831 /nfs/dbraw/zinc/48/18/31/388481831.db2.gz UHJUBCVKTNLBOR-DUVNUKRYSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC2)C[C@H](c2ccccc2)C1 ZINC000310400102 388481455 /nfs/dbraw/zinc/48/14/55/388481455.db2.gz UHJUBCVKTNLBOR-JGGQBBKZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC2)C[C@@H](c2ccccc2)C1 ZINC000310400107 388481544 /nfs/dbraw/zinc/48/15/44/388481544.db2.gz UHJUBCVKTNLBOR-NOLJZWGESA-N 1 0 229.367 3.711 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310402200 259327543 /nfs/dbraw/zinc/32/75/43/259327543.db2.gz UUKZSVCPWWNXPF-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310402201 259327404 /nfs/dbraw/zinc/32/74/04/259327404.db2.gz UUKZSVCPWWNXPF-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000310402610 491161364 /nfs/dbraw/zinc/16/13/64/491161364.db2.gz HBHVQKMGCFIVEI-BFQNTYOBSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000310402612 491161360 /nfs/dbraw/zinc/16/13/60/491161360.db2.gz HBHVQKMGCFIVEI-HSMVNMDESA-N 1 0 229.367 3.871 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000310402615 491161357 /nfs/dbraw/zinc/16/13/57/491161357.db2.gz HBHVQKMGCFIVEI-WQGACYEGSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2ccccc21)C1CC1 ZINC000310402617 491161402 /nfs/dbraw/zinc/16/14/02/491161402.db2.gz HBHVQKMGCFIVEI-XHBSWPGZSA-N 1 0 229.367 3.871 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC1(C)C)CC2 ZINC000310403353 259327576 /nfs/dbraw/zinc/32/75/76/259327576.db2.gz VBVROBAUWRFRNE-CABCVRRESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC1(C)C)CC2 ZINC000310403356 259327531 /nfs/dbraw/zinc/32/75/31/259327531.db2.gz VBVROBAUWRFRNE-GJZGRUSLSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC1(C)C)CC2 ZINC000310403358 259327357 /nfs/dbraw/zinc/32/73/57/259327357.db2.gz VBVROBAUWRFRNE-HUUCEWRRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC1(C)C)CC2 ZINC000310403361 259327552 /nfs/dbraw/zinc/32/75/52/259327552.db2.gz VBVROBAUWRFRNE-LSDHHAIUSA-N 1 0 229.367 3.761 20 0 BHADRO CCOCC(C)(C)C[NH2+]C1CCC(CC)CC1 ZINC000310403713 259327523 /nfs/dbraw/zinc/32/75/23/259327523.db2.gz HKBUUFCPBGLLEE-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310409383 388482270 /nfs/dbraw/zinc/48/22/70/388482270.db2.gz WJSBJTSUKRSPCQ-BXKDBHETSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310409384 388482457 /nfs/dbraw/zinc/48/24/57/388482457.db2.gz WJSBJTSUKRSPCQ-CABZTGNLSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310409385 388482614 /nfs/dbraw/zinc/48/26/14/388482614.db2.gz WJSBJTSUKRSPCQ-JOYOIKCWSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310409386 534201422 /nfs/dbraw/zinc/20/14/22/534201422.db2.gz WJSBJTSUKRSPCQ-SKDRFNHKSA-N 1 0 243.272 3.594 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccccc1C1CC1 ZINC000310410248 347280125 /nfs/dbraw/zinc/28/01/25/347280125.db2.gz LRGJOBKFRMHRBJ-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000310411264 259327327 /nfs/dbraw/zinc/32/73/27/259327327.db2.gz OZABKRAVABGEPA-LLVKDONJSA-N 1 0 239.334 3.542 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000310411269 385044897 /nfs/dbraw/zinc/04/48/97/385044897.db2.gz OZABKRAVABGEPA-NSHDSACASA-N 1 0 239.334 3.542 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000310412672 529051255 /nfs/dbraw/zinc/05/12/55/529051255.db2.gz XCZVBELQFPJYIC-CABCVRRESA-N 1 0 229.367 3.916 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000310412674 388482791 /nfs/dbraw/zinc/48/27/91/388482791.db2.gz XCZVBELQFPJYIC-GJZGRUSLSA-N 1 0 229.367 3.916 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000310412676 388482986 /nfs/dbraw/zinc/48/29/86/388482986.db2.gz XCZVBELQFPJYIC-HUUCEWRRSA-N 1 0 229.367 3.916 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000310412678 388483151 /nfs/dbraw/zinc/48/31/51/388483151.db2.gz XCZVBELQFPJYIC-LSDHHAIUSA-N 1 0 229.367 3.916 20 0 BHADRO COCC1(C[NH2+]C2CCCCCCC2)CCC1 ZINC000310414889 632738787 /nfs/dbraw/zinc/73/87/87/632738787.db2.gz MWXCMIPZSIHDEE-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000310414954 385055878 /nfs/dbraw/zinc/05/58/78/385055878.db2.gz MXSKOKLPBFTZNL-AWEZNQCLSA-N 1 0 247.363 3.890 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000310414957 385056037 /nfs/dbraw/zinc/05/60/37/385056037.db2.gz MXSKOKLPBFTZNL-CQSZACIVSA-N 1 0 247.363 3.890 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000310415994 632739131 /nfs/dbraw/zinc/73/91/31/632739131.db2.gz PQMYRTROLMPHII-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000310415998 632738407 /nfs/dbraw/zinc/73/84/07/632738407.db2.gz PQMYRTROLMPHII-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000310416003 636008151 /nfs/dbraw/zinc/00/81/51/636008151.db2.gz PQMYRTROLMPHII-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000310416007 632738582 /nfs/dbraw/zinc/73/85/82/632738582.db2.gz PQMYRTROLMPHII-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000310416548 388482417 /nfs/dbraw/zinc/48/24/17/388482417.db2.gz NDUFHHXGUMMBRA-KBPBESRZSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000310416550 534450083 /nfs/dbraw/zinc/45/00/83/534450083.db2.gz NDUFHHXGUMMBRA-KGLIPLIRSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000310416552 388482847 /nfs/dbraw/zinc/48/28/47/388482847.db2.gz NDUFHHXGUMMBRA-UONOGXRCSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000310416555 388482307 /nfs/dbraw/zinc/48/23/07/388482307.db2.gz NDUFHHXGUMMBRA-ZIAGYGMSSA-N 1 0 235.371 3.892 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310417310 388483046 /nfs/dbraw/zinc/48/30/46/388483046.db2.gz PXLFTLHUNZOAIU-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](COC)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310417311 388483100 /nfs/dbraw/zinc/48/31/00/388483100.db2.gz PXLFTLHUNZOAIU-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310417313 529520422 /nfs/dbraw/zinc/52/04/22/529520422.db2.gz PXLFTLHUNZOAIU-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310417314 388482680 /nfs/dbraw/zinc/48/26/80/388482680.db2.gz PXLFTLHUNZOAIU-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cccc(CNc2cc[nH+]c(C)c2Cl)c1 ZINC000310420311 179102678 /nfs/dbraw/zinc/10/26/78/179102678.db2.gz QLMVRGZJFJCPMU-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO COc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cc1 ZINC000310420828 533656433 /nfs/dbraw/zinc/65/64/33/533656433.db2.gz OBSDIAFGFBHIQY-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000310421623 259327493 /nfs/dbraw/zinc/32/74/93/259327493.db2.gz ZBNRFDILZDFMOM-JPUFDJIESA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000310421627 259327539 /nfs/dbraw/zinc/32/75/39/259327539.db2.gz ZBNRFDILZDFMOM-JZURETHJSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000310421631 259327335 /nfs/dbraw/zinc/32/73/35/259327335.db2.gz ZBNRFDILZDFMOM-PWVHCVSASA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000310421636 259327489 /nfs/dbraw/zinc/32/74/89/259327489.db2.gz ZBNRFDILZDFMOM-WPSFFTEHSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1[nH+]ccc(N[C@H](C)c2ccccn2)c1Cl ZINC000310427740 180205890 /nfs/dbraw/zinc/20/58/90/180205890.db2.gz RYQSBUQZXFXQRW-SECBINFHSA-N 1 0 247.729 3.612 20 0 BHADRO Cc1[nH+]ccc(N[C@@H](C)c2ccccn2)c1Cl ZINC000310427741 180203882 /nfs/dbraw/zinc/20/38/82/180203882.db2.gz RYQSBUQZXFXQRW-VIFPVBQESA-N 1 0 247.729 3.612 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000310428786 370343902 /nfs/dbraw/zinc/34/39/02/370343902.db2.gz MQFDYMDOTKNVCW-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCCCC1(C)C ZINC000310428787 370344558 /nfs/dbraw/zinc/34/45/58/370344558.db2.gz MQFDYMDOTKNVCW-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)SCC[NH2+]Cc1cc2ccccc2o1 ZINC000310429243 167329791 /nfs/dbraw/zinc/32/97/91/167329791.db2.gz RBPPJUCHZHMBBK-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO Cc1ccc(CNc2cc[nH+]c(C)c2Cl)cc1 ZINC000310431800 385054408 /nfs/dbraw/zinc/05/44/08/385054408.db2.gz SVNWFEREXQQCEM-UHFFFAOYSA-N 1 0 246.741 3.964 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1OC)C1CCCCC1 ZINC000310435772 634148030 /nfs/dbraw/zinc/14/80/30/634148030.db2.gz UNDPYZAPDYEEOQ-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C1CCCCC1 ZINC000310435773 634148756 /nfs/dbraw/zinc/14/87/56/634148756.db2.gz UNDPYZAPDYEEOQ-RRFJBIMHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1OC)C1CCCCC1 ZINC000310435774 632740197 /nfs/dbraw/zinc/74/01/97/632740197.db2.gz UNDPYZAPDYEEOQ-SOUVJXGZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC)C1CCCCC1 ZINC000310435776 636048372 /nfs/dbraw/zinc/04/83/72/636048372.db2.gz UNDPYZAPDYEEOQ-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CCSCC[NH2+]Cc1ccc2ccccc2c1 ZINC000310437661 388482652 /nfs/dbraw/zinc/48/26/52/388482652.db2.gz VALUKTMHSXMGKD-UHFFFAOYSA-N 1 0 245.391 3.683 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000310455183 491161493 /nfs/dbraw/zinc/16/14/93/491161493.db2.gz CRRFVRMTLSYAQH-GRYCIOLGSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310455184 491161466 /nfs/dbraw/zinc/16/14/66/491161466.db2.gz CRRFVRMTLSYAQH-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310455185 491161454 /nfs/dbraw/zinc/16/14/54/491161454.db2.gz CRRFVRMTLSYAQH-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000310455186 491161439 /nfs/dbraw/zinc/16/14/39/491161439.db2.gz CRRFVRMTLSYAQH-WOPDTQHZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@H]1C ZINC000310456697 388483043 /nfs/dbraw/zinc/48/30/43/388483043.db2.gz WXSPECIARJHNRW-IPYPFGDCSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H]1C ZINC000310456698 533943322 /nfs/dbraw/zinc/94/33/22/533943322.db2.gz WXSPECIARJHNRW-NFAWXSAZSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H]1C ZINC000310456699 388483173 /nfs/dbraw/zinc/48/31/73/388483173.db2.gz WXSPECIARJHNRW-UMVBOHGHSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@H]1C ZINC000310456700 388482562 /nfs/dbraw/zinc/48/25/62/388482562.db2.gz WXSPECIARJHNRW-VNHYZAJKSA-N 1 0 231.383 3.598 20 0 BHADRO Cc1sccc1C[NH2+]CCc1cccc(C)c1 ZINC000310456981 229502299 /nfs/dbraw/zinc/50/22/99/229502299.db2.gz ZMGPVKHMQOYONO-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000310460685 491161512 /nfs/dbraw/zinc/16/15/12/491161512.db2.gz FDNSBSWURTWENS-ABAIWWIYSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000310460686 491161497 /nfs/dbraw/zinc/16/14/97/491161497.db2.gz FDNSBSWURTWENS-IAQYHMDHSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000310460687 491161519 /nfs/dbraw/zinc/16/15/19/491161519.db2.gz FDNSBSWURTWENS-NHYWBVRUSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000310460688 491161531 /nfs/dbraw/zinc/16/15/31/491161531.db2.gz FDNSBSWURTWENS-XHDPSFHLSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1cccnc1 ZINC000310461051 259327646 /nfs/dbraw/zinc/32/76/46/259327646.db2.gz FHACKABXPMMPMN-GFCCVEGCSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1cccnc1 ZINC000310461053 259327765 /nfs/dbraw/zinc/32/77/65/259327765.db2.gz FHACKABXPMMPMN-LBPRGKRZSA-N 1 0 234.387 3.805 20 0 BHADRO COCC1(C[NH2+][C@H](C)CCC(C)(C)C)CCC1 ZINC000310461471 174104608 /nfs/dbraw/zinc/10/46/08/174104608.db2.gz XZYLZXDFHHPYSL-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(C[NH2+][C@@H](C)CCC(C)(C)C)CCC1 ZINC000310461472 174103849 /nfs/dbraw/zinc/10/38/49/174103849.db2.gz XZYLZXDFHHPYSL-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000310466556 388483566 /nfs/dbraw/zinc/48/35/66/388483566.db2.gz ZSINXGXWEHJDOP-AVWBDOJWSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000310466557 388483871 /nfs/dbraw/zinc/48/38/71/388483871.db2.gz ZSINXGXWEHJDOP-KEPMVKOISA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1c(F)cccc1F ZINC000310466558 388483992 /nfs/dbraw/zinc/48/39/92/388483992.db2.gz ZSINXGXWEHJDOP-MPXOCVNLSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1c(F)cccc1F ZINC000310466559 384837840 /nfs/dbraw/zinc/83/78/40/384837840.db2.gz ZSINXGXWEHJDOP-ORXSELOVSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1ccco1 ZINC000310483090 387537677 /nfs/dbraw/zinc/53/76/77/387537677.db2.gz FEZNQSBAONMMDQ-LLVKDONJSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1ccco1 ZINC000310483091 387537650 /nfs/dbraw/zinc/53/76/50/387537650.db2.gz FEZNQSBAONMMDQ-NSHDSACASA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000310486135 388483478 /nfs/dbraw/zinc/48/34/78/388483478.db2.gz FYTLFZACPXPPNI-HGTKMLMNSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000310486136 388483855 /nfs/dbraw/zinc/48/38/55/388483855.db2.gz FYTLFZACPXPPNI-HLPPOEQASA-N 1 0 231.383 3.814 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000310486137 388483417 /nfs/dbraw/zinc/48/34/17/388483417.db2.gz FYTLFZACPXPPNI-IXYNUQLISA-N 1 0 231.383 3.814 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000310486138 388483533 /nfs/dbraw/zinc/48/35/33/388483533.db2.gz FYTLFZACPXPPNI-ORIJERBGSA-N 1 0 231.383 3.814 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)s1 ZINC000310486212 343509573 /nfs/dbraw/zinc/50/95/73/343509573.db2.gz GHILUUBBRNWWJL-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C)s1 ZINC000310486213 343509668 /nfs/dbraw/zinc/50/96/68/343509668.db2.gz GHILUUBBRNWWJL-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000310486745 388483982 /nfs/dbraw/zinc/48/39/82/388483982.db2.gz GQMKDNNSJVLJLP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000310486746 388483448 /nfs/dbraw/zinc/48/34/48/388483448.db2.gz GQMKDNNSJVLJLP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000310486747 388483562 /nfs/dbraw/zinc/48/35/62/388483562.db2.gz GQMKDNNSJVLJLP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000310486748 388483396 /nfs/dbraw/zinc/48/33/96/388483396.db2.gz GQMKDNNSJVLJLP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000310488019 634154658 /nfs/dbraw/zinc/15/46/58/634154658.db2.gz GLSSPCZROOTJSH-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000310488023 632748731 /nfs/dbraw/zinc/74/87/31/632748731.db2.gz GLSSPCZROOTJSH-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(F)ccc1OC ZINC000310489070 388483762 /nfs/dbraw/zinc/48/37/62/388483762.db2.gz FLYJOYGONCDPMQ-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CO[C@@](C)(C[NH2+][C@H](C)CCC(C)(C)C)C1CC1 ZINC000310489922 384838141 /nfs/dbraw/zinc/83/81/41/384838141.db2.gz FRMUYVDCYIYEIA-DOMZBBRYSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@](C)(C[NH2+][C@H](C)CCC(C)(C)C)C1CC1 ZINC000310489924 384839877 /nfs/dbraw/zinc/83/98/77/384839877.db2.gz FRMUYVDCYIYEIA-IUODEOHRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@](C)(C[NH2+][C@@H](C)CCC(C)(C)C)C1CC1 ZINC000310489926 385084315 /nfs/dbraw/zinc/08/43/15/385084315.db2.gz FRMUYVDCYIYEIA-SWLSCSKDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@](C)(C[NH2+][C@@H](C)CCC(C)(C)C)C1CC1 ZINC000310489928 384839449 /nfs/dbraw/zinc/83/94/49/384839449.db2.gz FRMUYVDCYIYEIA-WFASDCNBSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000310490114 491161710 /nfs/dbraw/zinc/16/17/10/491161710.db2.gz OBJBZCCWTADCFJ-GUTXKFCHSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000310490115 491161717 /nfs/dbraw/zinc/16/17/17/491161717.db2.gz OBJBZCCWTADCFJ-GZBFAFLISA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000310490116 491161714 /nfs/dbraw/zinc/16/17/14/491161714.db2.gz OBJBZCCWTADCFJ-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000310490117 491161708 /nfs/dbraw/zinc/16/17/08/491161708.db2.gz OBJBZCCWTADCFJ-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1F ZINC000310495039 388483521 /nfs/dbraw/zinc/48/35/21/388483521.db2.gz KBLNOLWIQTXIMO-YODMDTAWSA-N 1 0 233.330 3.665 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000310498045 323132503 /nfs/dbraw/zinc/13/25/03/323132503.db2.gz LFBWVTYYAKTTHY-NWANDNLSSA-N 1 0 247.407 3.557 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000310498046 256530789 /nfs/dbraw/zinc/53/07/89/256530789.db2.gz LFBWVTYYAKTTHY-VHDGCEQUSA-N 1 0 247.407 3.557 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1ccsc1C ZINC000310498376 384850199 /nfs/dbraw/zinc/85/01/99/384850199.db2.gz HHWUUKGBKZBRDC-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CC[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)OC ZINC000310501147 385095750 /nfs/dbraw/zinc/09/57/50/385095750.db2.gz REGDTECCZFFYFE-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C[NH2+]C1CCC2(CCCC2)CC1)OC ZINC000310501151 171437326 /nfs/dbraw/zinc/43/73/26/171437326.db2.gz REGDTECCZFFYFE-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCC(C)(C)C2)CCCC1 ZINC000310501784 388484211 /nfs/dbraw/zinc/48/42/11/388484211.db2.gz RHKPCAJZALHVKL-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCC(C)(C)C2)CCCC1 ZINC000310501785 388483996 /nfs/dbraw/zinc/48/39/96/388483996.db2.gz RHKPCAJZALHVKL-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000310505452 632750967 /nfs/dbraw/zinc/75/09/67/632750967.db2.gz SLHCMHJHAPDSJG-ADNDVJRGSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000310505453 632750185 /nfs/dbraw/zinc/75/01/85/632750185.db2.gz SLHCMHJHAPDSJG-FKFRUQKQSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccccc1 ZINC000310505454 632750008 /nfs/dbraw/zinc/75/00/08/632750008.db2.gz SLHCMHJHAPDSJG-QTISTPMNSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccccc1 ZINC000310505455 636236312 /nfs/dbraw/zinc/23/63/12/636236312.db2.gz SLHCMHJHAPDSJG-XCAIRMDXSA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000310505851 491161757 /nfs/dbraw/zinc/16/17/57/491161757.db2.gz KLRFAWLZJQTCMG-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(COC)CCC1 ZINC000310507226 388483704 /nfs/dbraw/zinc/48/37/04/388483704.db2.gz KVHIBMALFAOXLE-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(COC)CCC1 ZINC000310507227 388484076 /nfs/dbraw/zinc/48/40/76/388484076.db2.gz KVHIBMALFAOXLE-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(COC)CCC1 ZINC000310507228 388483836 /nfs/dbraw/zinc/48/38/36/388483836.db2.gz KVHIBMALFAOXLE-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(COC)CCC1 ZINC000310507229 529334870 /nfs/dbraw/zinc/33/48/70/529334870.db2.gz KVHIBMALFAOXLE-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310507356 386190426 /nfs/dbraw/zinc/19/04/26/386190426.db2.gz SZXLDDIQMZUJCM-GFCCVEGCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310507357 386191423 /nfs/dbraw/zinc/19/14/23/386191423.db2.gz SZXLDDIQMZUJCM-LBPRGKRZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc2c(c1)CCC2 ZINC000310509095 385097618 /nfs/dbraw/zinc/09/76/18/385097618.db2.gz JUCWDRYTBJYTGZ-GFCCVEGCSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc2c(c1)CCC2 ZINC000310509096 385096989 /nfs/dbraw/zinc/09/69/89/385096989.db2.gz JUCWDRYTBJYTGZ-LBPRGKRZSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)[C@@H]1C ZINC000310509908 533967597 /nfs/dbraw/zinc/96/75/97/533967597.db2.gz LJLKCDYBHHFAHK-AVRGHOLYSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)[C@H]1C ZINC000310509909 388484197 /nfs/dbraw/zinc/48/41/97/388484197.db2.gz LJLKCDYBHHFAHK-GUYJKWIASA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)[C@H]1C ZINC000310509910 388484225 /nfs/dbraw/zinc/48/42/25/388484225.db2.gz LJLKCDYBHHFAHK-KNPMLCFXSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)[C@@H]1C ZINC000310509911 388484179 /nfs/dbraw/zinc/48/41/79/388484179.db2.gz LJLKCDYBHHFAHK-MPTQWLOMSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@@H]1C ZINC000310513465 176424459 /nfs/dbraw/zinc/42/44/59/176424459.db2.gz LVUGRPURUAATLP-BHTHQVBYSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)[C@H]1C ZINC000310513470 385102071 /nfs/dbraw/zinc/10/20/71/385102071.db2.gz LVUGRPURUAATLP-KNPMLCFXSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@H]1C ZINC000310513475 385101584 /nfs/dbraw/zinc/10/15/84/385101584.db2.gz LVUGRPURUAATLP-KOZAUXTDSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)[C@@H]1C ZINC000310513480 385102065 /nfs/dbraw/zinc/10/20/65/385102065.db2.gz LVUGRPURUAATLP-MPTQWLOMSA-N 1 0 229.367 3.698 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C1 ZINC000310515133 411239958 /nfs/dbraw/zinc/23/99/58/411239958.db2.gz VEOCWBPVCWUZPY-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C1 ZINC000310515136 411239662 /nfs/dbraw/zinc/23/96/62/411239662.db2.gz VEOCWBPVCWUZPY-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C(C)(C)C)C1 ZINC000310515138 411239774 /nfs/dbraw/zinc/23/97/74/411239774.db2.gz VEOCWBPVCWUZPY-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C(C)(C)C)C1 ZINC000310515140 411240034 /nfs/dbraw/zinc/24/00/34/411240034.db2.gz VEOCWBPVCWUZPY-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000310519594 388483468 /nfs/dbraw/zinc/48/34/68/388483468.db2.gz NFJIKKURSQWKKC-DLVJRCHESA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000310519595 388483948 /nfs/dbraw/zinc/48/39/48/388483948.db2.gz NFJIKKURSQWKKC-MAGOMRGPSA-N 1 0 239.309 3.660 20 0 BHADRO CC[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)OC ZINC000310520941 529360640 /nfs/dbraw/zinc/36/06/40/529360640.db2.gz WSBFALMUCRJFMU-JXQTWKCFSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)OC ZINC000310520942 388483733 /nfs/dbraw/zinc/48/37/33/388483733.db2.gz WSBFALMUCRJFMU-RUXDESIVSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000310522263 388484698 /nfs/dbraw/zinc/48/46/98/388484698.db2.gz NWFXFGGPWQSLNK-GFCCVEGCSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000310522265 388484619 /nfs/dbraw/zinc/48/46/19/388484619.db2.gz NWFXFGGPWQSLNK-LBPRGKRZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529706 491161879 /nfs/dbraw/zinc/16/18/79/491161879.db2.gz YXFMDIAUWLSMQY-BXKDBHETSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529707 491161906 /nfs/dbraw/zinc/16/19/06/491161906.db2.gz YXFMDIAUWLSMQY-CABZTGNLSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529708 491161884 /nfs/dbraw/zinc/16/18/84/491161884.db2.gz YXFMDIAUWLSMQY-JOYOIKCWSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529709 491161893 /nfs/dbraw/zinc/16/18/93/491161893.db2.gz YXFMDIAUWLSMQY-SKDRFNHKSA-N 1 0 243.272 3.664 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]Cc1cccc(O)c1 ZINC000310530641 388484958 /nfs/dbraw/zinc/48/49/58/388484958.db2.gz ZCZJSSGCEYYYPT-UHFFFAOYSA-N 1 0 235.371 3.554 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000310532175 488099641 /nfs/dbraw/zinc/09/96/41/488099641.db2.gz ZOALVSCHFDXMPT-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000310532176 488099523 /nfs/dbraw/zinc/09/95/23/488099523.db2.gz ZOALVSCHFDXMPT-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000310532177 488099316 /nfs/dbraw/zinc/09/93/16/488099316.db2.gz ZOALVSCHFDXMPT-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000310532178 488099507 /nfs/dbraw/zinc/09/95/07/488099507.db2.gz ZOALVSCHFDXMPT-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)CCCC(C)C ZINC000310532289 343525759 /nfs/dbraw/zinc/52/57/59/343525759.db2.gz ZPWMCYFZTLXKBO-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)CCCC(C)C ZINC000310532290 343525839 /nfs/dbraw/zinc/52/58/39/343525839.db2.gz ZPWMCYFZTLXKBO-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537239 491161915 /nfs/dbraw/zinc/16/19/15/491161915.db2.gz BBBKZDNMJAOKNA-NXEZZACHSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537240 491161918 /nfs/dbraw/zinc/16/19/18/491161918.db2.gz BBBKZDNMJAOKNA-UWVGGRQHSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537241 491161913 /nfs/dbraw/zinc/16/19/13/491161913.db2.gz BBBKZDNMJAOKNA-VHSXEESVSA-N 1 0 243.272 3.664 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537242 491161910 /nfs/dbraw/zinc/16/19/10/491161910.db2.gz BBBKZDNMJAOKNA-ZJUUUORDSA-N 1 0 243.272 3.664 20 0 BHADRO CCOC1(C[NH2+][C@H](C)C2CCCC2)CCCC1 ZINC000310538047 388484881 /nfs/dbraw/zinc/48/48/81/388484881.db2.gz BGURWOZUZPYFML-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H](C)C2CCCC2)CCCC1 ZINC000310538049 388484665 /nfs/dbraw/zinc/48/46/65/388484665.db2.gz BGURWOZUZPYFML-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@H](C)C2CCCCC2)CCC1 ZINC000310539624 229503694 /nfs/dbraw/zinc/50/36/94/229503694.db2.gz BVKYQRPVKGYCNZ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@@H](C)C2CCCCC2)CCC1 ZINC000310539625 388484622 /nfs/dbraw/zinc/48/46/22/388484622.db2.gz BVKYQRPVKGYCNZ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000310542575 491161992 /nfs/dbraw/zinc/16/19/92/491161992.db2.gz CROSPWFDCFEALP-CYZMBNFOSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000310542576 491161960 /nfs/dbraw/zinc/16/19/60/491161960.db2.gz CROSPWFDCFEALP-DRZSPHRISA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000310542577 491161959 /nfs/dbraw/zinc/16/19/59/491161959.db2.gz CROSPWFDCFEALP-UHTWSYAYSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000310542578 491161983 /nfs/dbraw/zinc/16/19/83/491161983.db2.gz CROSPWFDCFEALP-WCFLWFBJSA-N 1 0 243.341 3.756 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000310545216 533070257 /nfs/dbraw/zinc/07/02/57/533070257.db2.gz DLJOQNLQDNEBCA-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000310545217 388484886 /nfs/dbraw/zinc/48/48/86/388484886.db2.gz DLJOQNLQDNEBCA-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000310545218 388484601 /nfs/dbraw/zinc/48/46/01/388484601.db2.gz DLJOQNLQDNEBCA-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000310545219 388485050 /nfs/dbraw/zinc/48/50/50/388485050.db2.gz DLJOQNLQDNEBCA-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2c(C)noc2C)CCC1 ZINC000310550816 632755741 /nfs/dbraw/zinc/75/57/41/632755741.db2.gz WJPRJNCMGDKFAG-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2c(C)noc2C)CCC1 ZINC000310550818 634160989 /nfs/dbraw/zinc/16/09/89/634160989.db2.gz WJPRJNCMGDKFAG-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000310551910 384872577 /nfs/dbraw/zinc/87/25/77/384872577.db2.gz UUYMQUHLPRQJMO-CYBMUJFWSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000310551915 384870407 /nfs/dbraw/zinc/87/04/07/384870407.db2.gz UUYMQUHLPRQJMO-ZDUSSCGKSA-N 1 0 239.334 3.503 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)C1CCCCC1)OC ZINC000310553777 388485284 /nfs/dbraw/zinc/48/52/84/388485284.db2.gz VKKVNECAGGPDEC-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)C1CCCCC1)OC ZINC000310553778 528694360 /nfs/dbraw/zinc/69/43/60/528694360.db2.gz VKKVNECAGGPDEC-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC1(C[NH2+]C2CCCCCC2)CCCC1 ZINC000310554276 388484616 /nfs/dbraw/zinc/48/46/16/388484616.db2.gz HLLRISRSFHOSQP-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO COC1(CC[NH2+][C@H](C)CCC(C)(C)C)CCC1 ZINC000310554594 229505847 /nfs/dbraw/zinc/50/58/47/229505847.db2.gz HOVILFVBAZRNQI-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC1(CC[NH2+][C@@H](C)CCC(C)(C)C)CCC1 ZINC000310554595 388485075 /nfs/dbraw/zinc/48/50/75/388485075.db2.gz HOVILFVBAZRNQI-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(F)cc1F ZINC000310555927 411242686 /nfs/dbraw/zinc/24/26/86/411242686.db2.gz YHJGTGBGQAHFKT-UHFFFAOYSA-N 1 0 241.325 3.879 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H]1C ZINC000310556420 323133340 /nfs/dbraw/zinc/13/33/40/323133340.db2.gz YNMJLYFBXWGQRU-IIRVCBMXSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H]1C ZINC000310556423 323133263 /nfs/dbraw/zinc/13/32/63/323133263.db2.gz YNMJLYFBXWGQRU-ZIQFBCGOSA-N 1 0 249.320 3.742 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000310556425 534447270 /nfs/dbraw/zinc/44/72/70/534447270.db2.gz YNNXRKQWRYOMOH-AWEZNQCLSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000310556426 388484462 /nfs/dbraw/zinc/48/44/62/388484462.db2.gz YNNXRKQWRYOMOH-CQSZACIVSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556768 491161971 /nfs/dbraw/zinc/16/19/71/491161971.db2.gz IMPXFSVVJJLJMP-GXSJLCMTSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556769 491161964 /nfs/dbraw/zinc/16/19/64/491161964.db2.gz IMPXFSVVJJLJMP-KOLCDFICSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556770 491161990 /nfs/dbraw/zinc/16/19/90/491161990.db2.gz IMPXFSVVJJLJMP-MWLCHTKSSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556771 491161953 /nfs/dbraw/zinc/16/19/53/491161953.db2.gz IMPXFSVVJJLJMP-ONGXEEELSA-N 1 0 243.297 3.735 20 0 BHADRO COCC1(C[NH2+]C(C)(C)CC(C)(C)C)CCC1 ZINC000310556884 411241997 /nfs/dbraw/zinc/24/19/97/411241997.db2.gz YTGHTMHSRXYSFM-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(O)cc1 ZINC000310558833 411242680 /nfs/dbraw/zinc/24/26/80/411242680.db2.gz JFAPIBZLBAYGIX-UHFFFAOYSA-N 1 0 235.371 3.554 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc1C ZINC000310563486 491162005 /nfs/dbraw/zinc/16/20/05/491162005.db2.gz KRQMRMVBMDFHMV-GUTXKFCHSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc1C ZINC000310563487 491162014 /nfs/dbraw/zinc/16/20/14/491162014.db2.gz KRQMRMVBMDFHMV-GZBFAFLISA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc1C ZINC000310563488 491162030 /nfs/dbraw/zinc/16/20/30/491162030.db2.gz KRQMRMVBMDFHMV-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc1C ZINC000310563489 491162034 /nfs/dbraw/zinc/16/20/34/491162034.db2.gz KRQMRMVBMDFHMV-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO CO[C@@](C)(C[NH2+]C1CCCCCCC1)C1CC1 ZINC000310565002 636264705 /nfs/dbraw/zinc/26/47/05/636264705.db2.gz XDBDFLNBDPDTGV-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@](C)(C[NH2+]C1CCCCCCC1)C1CC1 ZINC000310565004 632759669 /nfs/dbraw/zinc/75/96/69/632759669.db2.gz XDBDFLNBDPDTGV-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC3CCC2CC3)o1 ZINC000310569139 229505564 /nfs/dbraw/zinc/50/55/64/229505564.db2.gz NJPDXKOKFLBDBJ-ABXWRUBCSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)o1 ZINC000310569140 388484990 /nfs/dbraw/zinc/48/49/90/388484990.db2.gz NJPDXKOKFLBDBJ-BLYZHGLHSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)o1 ZINC000310569141 384884237 /nfs/dbraw/zinc/88/42/37/384884237.db2.gz NJPDXKOKFLBDBJ-GFJIZPEISA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)o1 ZINC000310569142 256530653 /nfs/dbraw/zinc/53/06/53/256530653.db2.gz NJPDXKOKFLBDBJ-RYSNWHEDSA-N 1 0 233.355 3.817 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCCC[C@@H]2C)CCCC1 ZINC000310570117 388485132 /nfs/dbraw/zinc/48/51/32/388485132.db2.gz NRIJLVPDVGLDCN-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCCC[C@H]2C)CCCC1 ZINC000310570122 388484500 /nfs/dbraw/zinc/48/45/00/388484500.db2.gz NRIJLVPDVGLDCN-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCCC[C@@H]2C)CCCC1 ZINC000310570126 528472376 /nfs/dbraw/zinc/47/23/76/528472376.db2.gz NRIJLVPDVGLDCN-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCCC[C@H]2C)CCCC1 ZINC000310570131 388484831 /nfs/dbraw/zinc/48/48/31/388484831.db2.gz NRIJLVPDVGLDCN-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000310575378 632760838 /nfs/dbraw/zinc/76/08/38/632760838.db2.gz LLRDOPPOHQKCLZ-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000310575379 632759647 /nfs/dbraw/zinc/75/96/47/632759647.db2.gz LLRDOPPOHQKCLZ-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000310575380 632760077 /nfs/dbraw/zinc/76/00/77/632760077.db2.gz LLRDOPPOHQKCLZ-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000310575381 632760992 /nfs/dbraw/zinc/76/09/92/632760992.db2.gz LLRDOPPOHQKCLZ-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000310576126 632759568 /nfs/dbraw/zinc/75/95/68/632759568.db2.gz AYQSFOBFEPMILY-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCC[C@H](C)C2)CCCC1 ZINC000310578275 388485553 /nfs/dbraw/zinc/48/55/53/388485553.db2.gz QFYSDMCEDMOUIO-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCCC1 ZINC000310578276 388485774 /nfs/dbraw/zinc/48/57/74/388485774.db2.gz QFYSDMCEDMOUIO-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCC[C@H](C)C2)CCCC1 ZINC000310578277 388485985 /nfs/dbraw/zinc/48/59/85/388485985.db2.gz QFYSDMCEDMOUIO-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCCC1 ZINC000310578278 528473324 /nfs/dbraw/zinc/47/33/24/528473324.db2.gz QFYSDMCEDMOUIO-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C[C@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000310579519 384884454 /nfs/dbraw/zinc/88/44/54/384884454.db2.gz OMGFESGVKTTXKU-AWEZNQCLSA-N 1 0 248.414 3.842 20 0 BHADRO CC(C)C[C@@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000310579520 384884121 /nfs/dbraw/zinc/88/41/21/384884121.db2.gz OMGFESGVKTTXKU-CQSZACIVSA-N 1 0 248.414 3.842 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C(C)(C)C)nc1 ZINC000310580613 388485599 /nfs/dbraw/zinc/48/55/99/388485599.db2.gz QXHBDXSIHCCMJA-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO c1ccc2ncc(C[NH2+]CCC3CCC3)cc2c1 ZINC000310581578 632759717 /nfs/dbraw/zinc/75/97/17/632759717.db2.gz VYAXESCXDLLJQP-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(OCC)CCCC1 ZINC000310582677 528923538 /nfs/dbraw/zinc/92/35/38/528923538.db2.gz RUVJBVNVMBCYRS-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(OCC)CCCC1 ZINC000310582678 388485798 /nfs/dbraw/zinc/48/57/98/388485798.db2.gz RUVJBVNVMBCYRS-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC1(C)CCC(C[NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000310584440 491162100 /nfs/dbraw/zinc/16/21/00/491162100.db2.gz UAJMBNQXUYGUMV-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC(C[NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000310584441 491162093 /nfs/dbraw/zinc/16/20/93/491162093.db2.gz UAJMBNQXUYGUMV-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310586067 491162111 /nfs/dbraw/zinc/16/21/11/491162111.db2.gz VRNVCYBGOYBISN-AGIUHOORSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000310586068 491162089 /nfs/dbraw/zinc/16/20/89/491162089.db2.gz VRNVCYBGOYBISN-AVGNSLFASA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310586069 491162108 /nfs/dbraw/zinc/16/21/08/491162108.db2.gz VRNVCYBGOYBISN-FRRDWIJNSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000310586070 491162099 /nfs/dbraw/zinc/16/20/99/491162099.db2.gz VRNVCYBGOYBISN-RWMBFGLXSA-N 1 0 245.357 3.979 20 0 BHADRO COC1CCC([NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000310588947 388485586 /nfs/dbraw/zinc/48/55/86/388485586.db2.gz XVAVUUNRGXKXGK-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)C1CCCCC1 ZINC000310591171 384893598 /nfs/dbraw/zinc/89/35/98/384893598.db2.gz ZJQBZNLKROPUCK-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)C1CCCCC1 ZINC000310591172 384894742 /nfs/dbraw/zinc/89/47/42/384894742.db2.gz ZJQBZNLKROPUCK-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C1CCCCC1 ZINC000310591173 384893805 /nfs/dbraw/zinc/89/38/05/384893805.db2.gz ZJQBZNLKROPUCK-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)C1CCCCC1 ZINC000310591174 256529967 /nfs/dbraw/zinc/52/99/67/256529967.db2.gz ZJQBZNLKROPUCK-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000310613862 528209358 /nfs/dbraw/zinc/20/93/58/528209358.db2.gz ACAHIUBLNPZNDX-DVOMOZLQSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000310613864 388487152 /nfs/dbraw/zinc/48/71/52/388487152.db2.gz ACAHIUBLNPZNDX-HEHGZKQESA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000310613866 388486927 /nfs/dbraw/zinc/48/69/27/388486927.db2.gz ACAHIUBLNPZNDX-WWGRRREGSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000310613868 388486434 /nfs/dbraw/zinc/48/64/34/388486434.db2.gz ACAHIUBLNPZNDX-XEZPLFJOSA-N 1 0 247.382 3.923 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000310623467 170313456 /nfs/dbraw/zinc/31/34/56/170313456.db2.gz CCHUIWSCWKIFHR-HNNXBMFYSA-N 1 0 249.398 3.851 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000310623469 170313729 /nfs/dbraw/zinc/31/37/29/170313729.db2.gz CCHUIWSCWKIFHR-OAHLLOKOSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cccc(C)c1 ZINC000310624116 388487023 /nfs/dbraw/zinc/48/70/23/388487023.db2.gz IMMCJCSHBPGJBL-ARFHVFGLSA-N 1 0 247.382 3.603 20 0 BHADRO CC(C)CCOCC[NH2+]C(C)(C)c1ccccc1 ZINC000310656374 256530438 /nfs/dbraw/zinc/53/04/38/256530438.db2.gz HYXLMMYRIVUDKY-UHFFFAOYSA-N 1 0 249.398 3.574 20 0 BHADRO Fc1ccccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310670721 388487601 /nfs/dbraw/zinc/48/76/01/388487601.db2.gz HVILPRZIASUBIV-UHFFFAOYSA-N 1 0 247.357 3.884 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1OC ZINC000310675669 385142200 /nfs/dbraw/zinc/14/22/00/385142200.db2.gz JGQQHRXRZARFEE-DZGCQCFKSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1OC ZINC000310675670 385139432 /nfs/dbraw/zinc/13/94/32/385139432.db2.gz JGQQHRXRZARFEE-HIFRSBDPSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1OC ZINC000310675671 385141923 /nfs/dbraw/zinc/14/19/23/385141923.db2.gz JGQQHRXRZARFEE-UKRRQHHQSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1OC ZINC000310675672 385141716 /nfs/dbraw/zinc/14/17/16/385141716.db2.gz JGQQHRXRZARFEE-ZFWWWQNUSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000310678023 411247270 /nfs/dbraw/zinc/24/72/70/411247270.db2.gz QHJFWTMHFFTQAQ-BXUZGUMPSA-N 1 0 248.370 3.831 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000310678024 411247058 /nfs/dbraw/zinc/24/70/58/411247058.db2.gz QHJFWTMHFFTQAQ-FZMZJTMJSA-N 1 0 248.370 3.831 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000310678025 411246994 /nfs/dbraw/zinc/24/69/94/411246994.db2.gz QHJFWTMHFFTQAQ-RISCZKNCSA-N 1 0 248.370 3.831 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000310678026 411247780 /nfs/dbraw/zinc/24/77/80/411247780.db2.gz QHJFWTMHFFTQAQ-SMDDNHRTSA-N 1 0 248.370 3.831 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000310690043 491162358 /nfs/dbraw/zinc/16/23/58/491162358.db2.gz QXGBGXIELMRARL-HSBZDZAISA-N 1 0 249.402 3.523 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000310690044 491162360 /nfs/dbraw/zinc/16/23/60/491162360.db2.gz QXGBGXIELMRARL-IYXRBSQSSA-N 1 0 249.402 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692721 385143837 /nfs/dbraw/zinc/14/38/37/385143837.db2.gz OIDPJSFFARHZQQ-DOMZBBRYSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692723 347301229 /nfs/dbraw/zinc/30/12/29/347301229.db2.gz OIDPJSFFARHZQQ-IUODEOHRSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692724 347301011 /nfs/dbraw/zinc/30/10/11/347301011.db2.gz OIDPJSFFARHZQQ-SWLSCSKDSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692726 385143954 /nfs/dbraw/zinc/14/39/54/385143954.db2.gz OIDPJSFFARHZQQ-WFASDCNBSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+]CC(O)(CC)CC)c1cccc(C)c1 ZINC000310694790 385144619 /nfs/dbraw/zinc/14/46/19/385144619.db2.gz PBEWHFVTLCRLFL-HNNXBMFYSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+]CC(O)(CC)CC)c1cccc(C)c1 ZINC000310694791 385144043 /nfs/dbraw/zinc/14/40/43/385144043.db2.gz PBEWHFVTLCRLFL-OAHLLOKOSA-N 1 0 249.398 3.587 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccc(-c2ccccc2)cc1 ZINC000310695103 388487720 /nfs/dbraw/zinc/48/77/20/388487720.db2.gz ZIFMAXXMMHNHCM-CYBMUJFWSA-N 1 0 243.325 3.974 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccc(-c2ccccc2)cc1 ZINC000310695104 388487621 /nfs/dbraw/zinc/48/76/21/388487621.db2.gz ZIFMAXXMMHNHCM-ZDUSSCGKSA-N 1 0 243.325 3.974 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000310704875 632889973 /nfs/dbraw/zinc/88/99/73/632889973.db2.gz YCYDVLGNUAPWJR-GDBMZVCRSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000310704878 632889867 /nfs/dbraw/zinc/88/98/67/632889867.db2.gz YCYDVLGNUAPWJR-GOEBONIOSA-N 1 0 249.398 3.669 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cncc2ccccc21 ZINC000310706807 636338633 /nfs/dbraw/zinc/33/86/33/636338633.db2.gz SLXWHKIZNWGNDZ-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000310706808 711672372 /nfs/dbraw/zinc/67/23/72/711672372.db2.gz SLXWHKIZNWGNDZ-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)c2ccccc2)o1 ZINC000310709470 384955767 /nfs/dbraw/zinc/95/57/67/384955767.db2.gz JWARRAOOXAJUOP-UHFFFAOYSA-N 1 0 243.350 3.867 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc2cnccc21 ZINC000310712532 632893692 /nfs/dbraw/zinc/89/36/92/632893692.db2.gz VHHVAQLPDATTGR-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc2cnccc21 ZINC000310712533 636340758 /nfs/dbraw/zinc/34/07/58/636340758.db2.gz VHHVAQLPDATTGR-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](CNc1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000310720328 487900600 /nfs/dbraw/zinc/90/06/00/487900600.db2.gz QQXGVDTZWPBQAE-CYBMUJFWSA-N 1 0 248.414 3.842 20 0 BHADRO C[C@@H](CNc1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000310720331 487476209 /nfs/dbraw/zinc/47/62/09/487476209.db2.gz QQXGVDTZWPBQAE-ZDUSSCGKSA-N 1 0 248.414 3.842 20 0 BHADRO Cc1ccoc1CNc1cc[nH+]c2ccccc12 ZINC000310720588 385150284 /nfs/dbraw/zinc/15/02/84/385150284.db2.gz AGDGEUSJMMKJLM-UHFFFAOYSA-N 1 0 238.290 3.748 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000310722127 388487431 /nfs/dbraw/zinc/48/74/31/388487431.db2.gz IZAWADRYTNAENF-HSBZDZAISA-N 1 0 249.402 3.523 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000310722128 388487727 /nfs/dbraw/zinc/48/77/27/388487727.db2.gz IZAWADRYTNAENF-IYXRBSQSSA-N 1 0 249.402 3.523 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310725641 256531818 /nfs/dbraw/zinc/53/18/18/256531818.db2.gz ZSXMOPQAXFHJQU-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310725642 384962775 /nfs/dbraw/zinc/96/27/75/384962775.db2.gz ZSXMOPQAXFHJQU-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000310734141 388488125 /nfs/dbraw/zinc/48/81/25/388488125.db2.gz FUMHFRXVAHUEAY-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO Cn1cccc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310737537 229510424 /nfs/dbraw/zinc/51/04/24/229510424.db2.gz AAFHQOICTUJLBU-HNNXBMFYSA-N 1 0 246.398 3.618 20 0 BHADRO Cn1cccc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310737539 229511036 /nfs/dbraw/zinc/51/10/36/229511036.db2.gz AAFHQOICTUJLBU-OAHLLOKOSA-N 1 0 246.398 3.618 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000310743441 388487495 /nfs/dbraw/zinc/48/74/95/388487495.db2.gz IENHQVMTBYNTOI-UHFFFAOYSA-N 1 0 243.350 3.803 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000310746036 188254733 /nfs/dbraw/zinc/25/47/33/188254733.db2.gz JBQWPPQINOAELM-BLLLJJGKSA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000310746320 188081424 /nfs/dbraw/zinc/08/14/24/188081424.db2.gz JBQWPPQINOAELM-LRDDRELGSA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000310746321 387539619 /nfs/dbraw/zinc/53/96/19/387539619.db2.gz JBQWPPQINOAELM-MLGOLLRUSA-N 1 0 246.398 3.670 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000310746322 188082288 /nfs/dbraw/zinc/08/22/88/188082288.db2.gz JBQWPPQINOAELM-WBMJQRKESA-N 1 0 246.398 3.670 20 0 BHADRO COC1(CC[NH2+][C@@H](C)c2cccc(C)c2)CCC1 ZINC000310769518 173991023 /nfs/dbraw/zinc/99/10/23/173991023.db2.gz CMQWFSRCWIKPTA-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(OC)cc1 ZINC000310784170 171543306 /nfs/dbraw/zinc/54/33/06/171543306.db2.gz CEJPOLRYXVJLTG-AVRGHOLYSA-N 1 0 247.382 3.780 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000310784174 385166994 /nfs/dbraw/zinc/16/69/94/385166994.db2.gz CEJPOLRYXVJLTG-GUYJKWIASA-N 1 0 247.382 3.780 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000310784178 385167037 /nfs/dbraw/zinc/16/70/37/385167037.db2.gz CEJPOLRYXVJLTG-GVAFMPQTSA-N 1 0 247.382 3.780 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(OC)cc1 ZINC000310784182 385165077 /nfs/dbraw/zinc/16/50/77/385165077.db2.gz CEJPOLRYXVJLTG-SHUKQUCYSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccccc1CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000310784973 487492134 /nfs/dbraw/zinc/49/21/34/487492134.db2.gz SHXJJKLMJFXVTM-CYBMUJFWSA-N 1 0 249.398 3.510 20 0 BHADRO COc1ccccc1CC[NH2+]C[C@H](C)C(C)(C)C ZINC000310784974 487492564 /nfs/dbraw/zinc/49/25/64/487492564.db2.gz SHXJJKLMJFXVTM-ZDUSSCGKSA-N 1 0 249.398 3.510 20 0 BHADRO Cc1ccncc1C[NH2+]CC1CCC(C)(C)CC1 ZINC000310788312 385169442 /nfs/dbraw/zinc/16/94/42/385169442.db2.gz UCSKAYFPVDMZKC-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000310789688 343576394 /nfs/dbraw/zinc/57/63/94/343576394.db2.gz AOZAVCOVXOOGPA-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO CCCCOCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000310798842 388488948 /nfs/dbraw/zinc/48/89/48/388488948.db2.gz SNPONEJTYRXAGY-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CCCCOCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000310798843 388488445 /nfs/dbraw/zinc/48/84/45/388488445.db2.gz SNPONEJTYRXAGY-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO c1ccc2c(C[NH+]3CCCCCC3)ccnc2c1 ZINC000310798869 323167064 /nfs/dbraw/zinc/16/70/64/323167064.db2.gz SOYYLQQSQATOTG-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000310800752 187824593 /nfs/dbraw/zinc/82/45/93/187824593.db2.gz DIQDYEHRLSOVGI-HNNXBMFYSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000310800753 187230192 /nfs/dbraw/zinc/23/01/92/187230192.db2.gz DIQDYEHRLSOVGI-OAHLLOKOSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)n1ccc(C[NH+]2CCCCCC2)n1 ZINC000310804132 259329003 /nfs/dbraw/zinc/32/90/03/259329003.db2.gz UJOQVYAHIWWAPP-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO CCCCc1oc2ccccc2c1C[NH2+]CCF ZINC000310805801 388488653 /nfs/dbraw/zinc/48/86/53/388488653.db2.gz ZNOIDYAZTMSPKZ-UHFFFAOYSA-N 1 0 249.329 3.835 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000310809072 636008498 /nfs/dbraw/zinc/00/84/98/636008498.db2.gz AVQAZTQWENNUIN-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)c1ccccc1 ZINC000310809075 711678378 /nfs/dbraw/zinc/67/83/78/711678378.db2.gz AVQAZTQWENNUIN-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000310809078 711678175 /nfs/dbraw/zinc/67/81/75/711678175.db2.gz AVQAZTQWENNUIN-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)c1ccccc1 ZINC000310809081 711678101 /nfs/dbraw/zinc/67/81/01/711678101.db2.gz AVQAZTQWENNUIN-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1C)C1CCCCC1 ZINC000310810419 343578333 /nfs/dbraw/zinc/57/83/33/343578333.db2.gz GDOQUCXGEGCWJO-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1C)C1CCCCC1 ZINC000310810420 347309236 /nfs/dbraw/zinc/30/92/36/347309236.db2.gz GDOQUCXGEGCWJO-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC(CC)(C[NH2+]Cc1cccc(C)c1C)OC ZINC000310811832 259329134 /nfs/dbraw/zinc/32/91/34/259329134.db2.gz CFAUWKHZEOYSSK-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310815509 324685009 /nfs/dbraw/zinc/68/50/09/324685009.db2.gz BZMQIWBXYHJLJC-QMCVQRASSA-N 1 0 243.394 3.704 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000310819678 259329148 /nfs/dbraw/zinc/32/91/48/259329148.db2.gz JPOXWLUZPHKGJH-CVEARBPZSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000310819679 259328913 /nfs/dbraw/zinc/32/89/13/259328913.db2.gz JPOXWLUZPHKGJH-HOTGVXAUSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000310819680 259328955 /nfs/dbraw/zinc/32/89/55/259328955.db2.gz JPOXWLUZPHKGJH-HZPDHXFCSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000310819681 259329098 /nfs/dbraw/zinc/32/90/98/259329098.db2.gz JPOXWLUZPHKGJH-JKSUJKDBSA-N 1 0 249.398 3.933 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000310834213 487588278 /nfs/dbraw/zinc/58/82/78/487588278.db2.gz HLGZECGFBCYWBS-NUEKZKHPSA-N 1 0 243.394 3.742 20 0 BHADRO CCC(CC)n1ccc(C[NH2+][C@H]2CCC2(C)C)n1 ZINC000310836134 259385280 /nfs/dbraw/zinc/38/52/80/259385280.db2.gz ZUPWNPLRWDMOJU-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)n1ccc(C[NH2+][C@@H]2CCC2(C)C)n1 ZINC000310836138 259385301 /nfs/dbraw/zinc/38/53/01/259385301.db2.gz ZUPWNPLRWDMOJU-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)OC ZINC000310836780 388488719 /nfs/dbraw/zinc/48/87/19/388488719.db2.gz MVNBONMDDBPTGR-BBRMVZONSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C(C)C)cc1)OC ZINC000310836784 529495715 /nfs/dbraw/zinc/49/57/15/529495715.db2.gz MVNBONMDDBPTGR-CJNGLKHVSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ccc(C(C)C)cc1)OC ZINC000310836786 388489017 /nfs/dbraw/zinc/48/90/17/388489017.db2.gz MVNBONMDDBPTGR-CZUORRHYSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)OC ZINC000310836789 385061390 /nfs/dbraw/zinc/06/13/90/385061390.db2.gz MVNBONMDDBPTGR-XJKSGUPXSA-N 1 0 249.398 3.886 20 0 BHADRO COCc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cc1 ZINC000310846274 229512469 /nfs/dbraw/zinc/51/24/69/229512469.db2.gz OPYMURZMULYOLG-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000310848978 388490211 /nfs/dbraw/zinc/49/02/11/388490211.db2.gz CRICRQYBATVPNP-HNNXBMFYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000310848992 528254999 /nfs/dbraw/zinc/25/49/99/528254999.db2.gz CRICRQYBATVPNP-OAHLLOKOSA-N 1 0 247.382 3.752 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000310865245 388489403 /nfs/dbraw/zinc/48/94/03/388489403.db2.gz OSOCCCKMZILGGD-BBRMVZONSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000310865246 388489461 /nfs/dbraw/zinc/48/94/61/388489461.db2.gz OSOCCCKMZILGGD-CJNGLKHVSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000310865247 388489946 /nfs/dbraw/zinc/48/99/46/388489946.db2.gz OSOCCCKMZILGGD-CZUORRHYSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000310865248 388490128 /nfs/dbraw/zinc/49/01/28/388490128.db2.gz OSOCCCKMZILGGD-XJKSGUPXSA-N 1 0 249.398 3.571 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H](CO)c1ccccc1 ZINC000310865567 388489552 /nfs/dbraw/zinc/48/95/52/388489552.db2.gz PPFAPAPOVOEDTL-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](CO)c1ccccc1 ZINC000310865569 388489683 /nfs/dbraw/zinc/48/96/83/388489683.db2.gz PPFAPAPOVOEDTL-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310876424 411288021 /nfs/dbraw/zinc/28/80/21/411288021.db2.gz SXZNZMKXWCBNJJ-DDHJSBNISA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000310876425 388489631 /nfs/dbraw/zinc/48/96/31/388489631.db2.gz SXZNZMKXWCBNJJ-MYZSUADSSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccc(OCC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000310888403 636685424 /nfs/dbraw/zinc/68/54/24/636685424.db2.gz JXBFGZGNADXFBU-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(OCC[C@H]2CCCC[N@H+]2C)cc1C ZINC000310888404 636684707 /nfs/dbraw/zinc/68/47/07/636684707.db2.gz JXBFGZGNADXFBU-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000310897363 388489610 /nfs/dbraw/zinc/48/96/10/388489610.db2.gz DQQDIROICMNVTI-PESDSKBTSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000310897373 259385900 /nfs/dbraw/zinc/38/59/00/259385900.db2.gz DQQDIROICMNVTI-ZALBZXLWSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000310900880 347325228 /nfs/dbraw/zinc/32/52/28/347325228.db2.gz FEEHLAYADNBYKC-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000310900883 347325179 /nfs/dbraw/zinc/32/51/79/347325179.db2.gz FEEHLAYADNBYKC-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CCC(CC)(C[NH2+]Cc1c(C)cccc1C)OC ZINC000310903188 388490009 /nfs/dbraw/zinc/49/00/09/388490009.db2.gz PKWJGFXAMGFQIF-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000310905974 347327194 /nfs/dbraw/zinc/32/71/94/347327194.db2.gz GEHIPVDAFVQBFH-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000310905975 347327237 /nfs/dbraw/zinc/32/72/37/347327237.db2.gz GEHIPVDAFVQBFH-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310914272 528598642 /nfs/dbraw/zinc/59/86/42/528598642.db2.gz IAQQRHSULSBKFS-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310914273 388489355 /nfs/dbraw/zinc/48/93/55/388489355.db2.gz IAQQRHSULSBKFS-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310914274 229513638 /nfs/dbraw/zinc/51/36/38/229513638.db2.gz IAQQRHSULSBKFS-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310914275 388490301 /nfs/dbraw/zinc/49/03/01/388490301.db2.gz IAQQRHSULSBKFS-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310917222 633016036 /nfs/dbraw/zinc/01/60/36/633016036.db2.gz IVNAJJDCQYYNFF-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310917223 633015245 /nfs/dbraw/zinc/01/52/45/633015245.db2.gz IVNAJJDCQYYNFF-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310917224 633015152 /nfs/dbraw/zinc/01/51/52/633015152.db2.gz IVNAJJDCQYYNFF-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccc(C)cc1C)OC ZINC000310918144 388489637 /nfs/dbraw/zinc/48/96/37/388489637.db2.gz RZDTUFSSTSQELQ-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO COC1(CC[NH2+][C@H](C)c2ccccc2C)CCC1 ZINC000310918966 536619361 /nfs/dbraw/zinc/61/93/61/536619361.db2.gz ZUAHLUFHOWDRLK-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO FCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000310926495 256533247 /nfs/dbraw/zinc/53/32/47/256533247.db2.gz KVFYYZVBDQSQRV-UHFFFAOYSA-N 1 0 249.373 3.691 20 0 BHADRO CCC[N@H+](CCC(=O)c1ccccc1)CC(C)C ZINC000310926716 385119353 /nfs/dbraw/zinc/11/93/53/385119353.db2.gz IDYULPXRVQZJQG-UHFFFAOYSA-N 1 0 247.382 3.627 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]1C ZINC000310931670 388490103 /nfs/dbraw/zinc/49/01/03/388490103.db2.gz LTOQGFUJOMTLNB-BXUZGUMPSA-N 1 0 243.350 3.883 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H]1C ZINC000310931671 388490116 /nfs/dbraw/zinc/49/01/16/388490116.db2.gz LTOQGFUJOMTLNB-FZMZJTMJSA-N 1 0 243.350 3.883 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@H]1CC[C@H]1C ZINC000310931672 388490306 /nfs/dbraw/zinc/49/03/06/388490306.db2.gz LTOQGFUJOMTLNB-RISCZKNCSA-N 1 0 243.350 3.883 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]1C ZINC000310931673 229514849 /nfs/dbraw/zinc/51/48/49/229514849.db2.gz LTOQGFUJOMTLNB-SMDDNHRTSA-N 1 0 243.350 3.883 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000310937149 633027530 /nfs/dbraw/zinc/02/75/30/633027530.db2.gz MZSIDEJUZQOXNG-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000310937154 636696814 /nfs/dbraw/zinc/69/68/14/636696814.db2.gz MZSIDEJUZQOXNG-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)COC)c1cccc(C)c1 ZINC000310940034 385246088 /nfs/dbraw/zinc/24/60/88/385246088.db2.gz KXMPNTWUISOLRP-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)COC)c1cccc(C)c1 ZINC000310940450 170892029 /nfs/dbraw/zinc/89/20/29/170892029.db2.gz KXMPNTWUISOLRP-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310954610 388490972 /nfs/dbraw/zinc/49/09/72/388490972.db2.gz SBLYQDIXZGCEKJ-DOMZBBRYSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310954612 388491274 /nfs/dbraw/zinc/49/12/74/388491274.db2.gz SBLYQDIXZGCEKJ-IUODEOHRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310954614 388490992 /nfs/dbraw/zinc/49/09/92/388490992.db2.gz SBLYQDIXZGCEKJ-SWLSCSKDSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310954616 388491082 /nfs/dbraw/zinc/49/10/82/388491082.db2.gz SBLYQDIXZGCEKJ-WFASDCNBSA-N 1 0 247.382 3.843 20 0 BHADRO CCC(CC)(C[NH2+]C[C@H](C)c1ccccc1)OC ZINC000310962894 388491428 /nfs/dbraw/zinc/49/14/28/388491428.db2.gz BFDNXVVGTXDSFZ-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCC(CC)(C[NH2+]C[C@@H](C)c1ccccc1)OC ZINC000310962895 388490757 /nfs/dbraw/zinc/49/07/57/388490757.db2.gz BFDNXVVGTXDSFZ-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310964058 388491038 /nfs/dbraw/zinc/49/10/38/388491038.db2.gz UNVZGOOLJSPWFN-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310964062 388491498 /nfs/dbraw/zinc/49/14/98/388491498.db2.gz UNVZGOOLJSPWFN-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000310964065 388491540 /nfs/dbraw/zinc/49/15/40/388491540.db2.gz UNVZGOOLJSPWFN-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000310964069 388491212 /nfs/dbraw/zinc/49/12/12/388491212.db2.gz UNVZGOOLJSPWFN-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000310972850 388491449 /nfs/dbraw/zinc/49/14/49/388491449.db2.gz WDMWRZYMTUPNAF-KOHJWAIASA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000310972852 388490995 /nfs/dbraw/zinc/49/09/95/388490995.db2.gz WDMWRZYMTUPNAF-QOZQQMKHSA-N 1 0 247.357 3.850 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000310983040 388491334 /nfs/dbraw/zinc/49/13/34/388491334.db2.gz YGHMKBVAXHVEQL-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000310983042 388491363 /nfs/dbraw/zinc/49/13/63/388491363.db2.gz YGHMKBVAXHVEQL-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000310983045 388490778 /nfs/dbraw/zinc/49/07/78/388490778.db2.gz YGHMKBVAXHVEQL-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000310983047 388491043 /nfs/dbraw/zinc/49/10/43/388491043.db2.gz YGHMKBVAXHVEQL-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000310983595 388490971 /nfs/dbraw/zinc/49/09/71/388490971.db2.gz YHSWJJWINCSHQA-HNNXBMFYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000310983599 388490821 /nfs/dbraw/zinc/49/08/21/388490821.db2.gz YHSWJJWINCSHQA-OAHLLOKOSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C)c1 ZINC000310986038 385267453 /nfs/dbraw/zinc/26/74/53/385267453.db2.gz YUDIWSWVWAOTRB-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C)c1 ZINC000310986039 171525564 /nfs/dbraw/zinc/52/55/64/171525564.db2.gz YUDIWSWVWAOTRB-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C)c1 ZINC000310986040 347336989 /nfs/dbraw/zinc/33/69/89/347336989.db2.gz YUDIWSWVWAOTRB-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C)c1 ZINC000310986041 385267169 /nfs/dbraw/zinc/26/71/69/385267169.db2.gz YUDIWSWVWAOTRB-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000310991417 388490795 /nfs/dbraw/zinc/49/07/95/388490795.db2.gz VRWAMIBSFMSMHR-CYBMUJFWSA-N 1 0 240.350 3.549 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CCCCF ZINC000310996083 172112731 /nfs/dbraw/zinc/11/27/31/172112731.db2.gz MDRRZIFRNSEOFZ-UHFFFAOYSA-N 1 0 249.329 3.835 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000310998518 326210230 /nfs/dbraw/zinc/21/02/30/326210230.db2.gz XCRSDDJZDXSGHZ-ZDUSSCGKSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C)cc1 ZINC000311001061 343618905 /nfs/dbraw/zinc/61/89/05/343618905.db2.gz XSZZIZKNKGHWFW-ZDUSSCGKSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000311011386 325120769 /nfs/dbraw/zinc/12/07/69/325120769.db2.gz RCXNOUBIDPEXGY-XLNGHYISSA-N 1 0 243.394 3.786 20 0 BHADRO Oc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000311016843 538112206 /nfs/dbraw/zinc/11/22/06/538112206.db2.gz STVAKMHCDNTISU-UHFFFAOYSA-N 1 0 245.366 3.548 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)CCC(C)(C)C)c1 ZINC000311022822 388492123 /nfs/dbraw/zinc/49/21/23/388492123.db2.gz VEWUEFYJRIXJHP-CYBMUJFWSA-N 1 0 249.398 4.000 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)CCC(C)(C)C)c1 ZINC000311022828 388492147 /nfs/dbraw/zinc/49/21/47/388492147.db2.gz VEWUEFYJRIXJHP-ZDUSSCGKSA-N 1 0 249.398 4.000 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000311027119 388490934 /nfs/dbraw/zinc/49/09/34/388490934.db2.gz DJCDMFGXPGISLU-CYBMUJFWSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000311027127 388490975 /nfs/dbraw/zinc/49/09/75/388490975.db2.gz DJCDMFGXPGISLU-ZDUSSCGKSA-N 1 0 249.398 3.572 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000311029406 388491903 /nfs/dbraw/zinc/49/19/03/388491903.db2.gz DQUCXKYKPCAUHT-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000311029408 388492678 /nfs/dbraw/zinc/49/26/78/388492678.db2.gz DQUCXKYKPCAUHT-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CCOCc1ccccc1C[NH2+]CC1(C)CCC1 ZINC000311042281 538112463 /nfs/dbraw/zinc/11/24/63/538112463.db2.gz FFCRTNZEGZSCGE-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO COc1ccccc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000311043266 229517410 /nfs/dbraw/zinc/51/74/10/229517410.db2.gz ZXSIBVSFSSNNRI-CYBMUJFWSA-N 1 0 249.398 4.000 20 0 BHADRO COc1ccccc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000311043268 229517706 /nfs/dbraw/zinc/51/77/06/229517706.db2.gz ZXSIBVSFSSNNRI-ZDUSSCGKSA-N 1 0 249.398 4.000 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc2c(c1)CCCC2 ZINC000311045525 229517888 /nfs/dbraw/zinc/51/78/88/229517888.db2.gz VYPVDYOFTKWQHM-CYBMUJFWSA-N 1 0 249.373 3.966 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc2c(c1)CCCC2 ZINC000311045527 229517097 /nfs/dbraw/zinc/51/70/97/229517097.db2.gz VYPVDYOFTKWQHM-ZDUSSCGKSA-N 1 0 249.373 3.966 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311054607 385297099 /nfs/dbraw/zinc/29/70/99/385297099.db2.gz XWFFXXFNYJSLQS-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311054608 385297499 /nfs/dbraw/zinc/29/74/99/385297499.db2.gz XWFFXXFNYJSLQS-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311054609 385296846 /nfs/dbraw/zinc/29/68/46/385296846.db2.gz XWFFXXFNYJSLQS-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311054610 385297713 /nfs/dbraw/zinc/29/77/13/385297713.db2.gz XWFFXXFNYJSLQS-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1cccc(O)c1 ZINC000311054730 388492035 /nfs/dbraw/zinc/49/20/35/388492035.db2.gz JADWZDIDCSXZBH-ITDKRANNSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1cccc(O)c1 ZINC000311054731 388492636 /nfs/dbraw/zinc/49/26/36/388492636.db2.gz JADWZDIDCSXZBH-NEQJSVFRSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1cccc(O)c1 ZINC000311054732 388492397 /nfs/dbraw/zinc/49/23/97/388492397.db2.gz JADWZDIDCSXZBH-OCLKLICZSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1cccc(O)c1 ZINC000311054733 388492107 /nfs/dbraw/zinc/49/21/07/388492107.db2.gz JADWZDIDCSXZBH-PIISCBOPSA-N 1 0 245.366 3.622 20 0 BHADRO CCCCOCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311059937 322942838 /nfs/dbraw/zinc/94/28/38/322942838.db2.gz JSPJGJUQJKVQNK-BBRMVZONSA-N 1 0 247.382 3.641 20 0 BHADRO CCCCOCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311059938 385176131 /nfs/dbraw/zinc/17/61/31/385176131.db2.gz JSPJGJUQJKVQNK-CJNGLKHVSA-N 1 0 247.382 3.641 20 0 BHADRO CCCCOCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311059939 322942780 /nfs/dbraw/zinc/94/27/80/322942780.db2.gz JSPJGJUQJKVQNK-CZUORRHYSA-N 1 0 247.382 3.641 20 0 BHADRO CCCCOCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311059940 385175691 /nfs/dbraw/zinc/17/56/91/385175691.db2.gz JSPJGJUQJKVQNK-XJKSGUPXSA-N 1 0 247.382 3.641 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000311070700 385301945 /nfs/dbraw/zinc/30/19/45/385301945.db2.gz CYKZNWAZLAYLSZ-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO c1coc(CC[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000311076551 388492127 /nfs/dbraw/zinc/49/21/27/388492127.db2.gz FCLFMMCJTBSVDC-HNNXBMFYSA-N 1 0 247.382 3.915 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000311076553 388492187 /nfs/dbraw/zinc/49/21/87/388492187.db2.gz FCLFMMCJTBSVDC-OAHLLOKOSA-N 1 0 247.382 3.915 20 0 BHADRO Cc1ccoc1C[NH2+]CCCCc1ccccc1 ZINC000311087329 370384557 /nfs/dbraw/zinc/38/45/57/370384557.db2.gz HILMMHZEWUJDCE-UHFFFAOYSA-N 1 0 243.350 3.701 20 0 BHADRO C1=CO[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000311099174 634215914 /nfs/dbraw/zinc/21/59/14/634215914.db2.gz JTUWGYRWSDTFCI-CABCVRRESA-N 1 0 249.398 3.772 20 0 BHADRO C1=CO[C@H](C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000311099176 633068156 /nfs/dbraw/zinc/06/81/56/633068156.db2.gz JTUWGYRWSDTFCI-GJZGRUSLSA-N 1 0 249.398 3.772 20 0 BHADRO C1=CO[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000311099178 639477647 /nfs/dbraw/zinc/47/76/47/639477647.db2.gz JTUWGYRWSDTFCI-HUUCEWRRSA-N 1 0 249.398 3.772 20 0 BHADRO C1=CO[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000311099181 639477254 /nfs/dbraw/zinc/47/72/54/639477254.db2.gz JTUWGYRWSDTFCI-LSDHHAIUSA-N 1 0 249.398 3.772 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000311101493 385191073 /nfs/dbraw/zinc/19/10/73/385191073.db2.gz SBLWHANKNOWHBA-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000311101495 385191853 /nfs/dbraw/zinc/19/18/53/385191853.db2.gz SBLWHANKNOWHBA-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112005 385320138 /nfs/dbraw/zinc/32/01/38/385320138.db2.gz MVAUUCMUMLXMHY-CHWSQXEVSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112006 385319947 /nfs/dbraw/zinc/31/99/47/385319947.db2.gz MVAUUCMUMLXMHY-OLZOCXBDSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112007 385317961 /nfs/dbraw/zinc/31/79/61/385317961.db2.gz MVAUUCMUMLXMHY-QWHCGFSZSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112008 385319982 /nfs/dbraw/zinc/31/99/82/385319982.db2.gz MVAUUCMUMLXMHY-STQMWFEESA-N 1 0 247.386 3.563 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccccc1C1CC1 ZINC000311120546 411316221 /nfs/dbraw/zinc/31/62/21/411316221.db2.gz OOOPUGRZYUZNKI-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2ccccc2C)CCCC1 ZINC000311120592 388493368 /nfs/dbraw/zinc/49/33/68/388493368.db2.gz YZDRAQUEMPITMJ-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO COC1(C[NH2+][C@H](C)c2ccccc2C)CCCC1 ZINC000311120593 385190336 /nfs/dbraw/zinc/19/03/36/385190336.db2.gz YZDRAQUEMPITMJ-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CC1(COC)CCC1)c1ccccc1 ZINC000311120695 385329314 /nfs/dbraw/zinc/32/93/14/385329314.db2.gz UIOBBAZOWSSMBI-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CC1(COC)CCC1)c1ccccc1 ZINC000311120696 170891728 /nfs/dbraw/zinc/89/17/28/170891728.db2.gz UIOBBAZOWSSMBI-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO COC1(CC[NH2+][C@@H](C)c2ccccc2C)CCC1 ZINC000311123340 385327188 /nfs/dbraw/zinc/32/71/88/385327188.db2.gz ZUAHLUFHOWDRLK-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1cc(C)c(C)cc1C)OC ZINC000311126242 388493144 /nfs/dbraw/zinc/49/31/44/388493144.db2.gz VITPQRZTKMFTKI-CABCVRRESA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1cc(C)c(C)cc1C)OC ZINC000311126243 388493580 /nfs/dbraw/zinc/49/35/80/388493580.db2.gz VITPQRZTKMFTKI-GJZGRUSLSA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1cc(C)c(C)cc1C)OC ZINC000311126244 388493503 /nfs/dbraw/zinc/49/35/03/388493503.db2.gz VITPQRZTKMFTKI-HUUCEWRRSA-N 1 0 249.398 3.687 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1cc(C)c(C)cc1C)OC ZINC000311126245 388493599 /nfs/dbraw/zinc/49/35/99/388493599.db2.gz VITPQRZTKMFTKI-LSDHHAIUSA-N 1 0 249.398 3.687 20 0 BHADRO COCC(C)(C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000311127371 388493332 /nfs/dbraw/zinc/49/33/32/388493332.db2.gz ZATRPUOIPUESDX-UHFFFAOYSA-N 1 0 249.398 3.572 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311128399 167225732 /nfs/dbraw/zinc/22/57/32/167225732.db2.gz ZEWRFQAWMUFJHT-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311128400 167224979 /nfs/dbraw/zinc/22/49/79/167224979.db2.gz ZEWRFQAWMUFJHT-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311128401 167222904 /nfs/dbraw/zinc/22/29/04/167222904.db2.gz ZEWRFQAWMUFJHT-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311128402 167222449 /nfs/dbraw/zinc/22/24/49/167222449.db2.gz ZEWRFQAWMUFJHT-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CC[C@H](C)OC)cc1 ZINC000311129783 388493389 /nfs/dbraw/zinc/49/33/89/388493389.db2.gz BWQFAYVCEOKNQC-KBPBESRZSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]CC[C@@H](C)OC)cc1 ZINC000311129784 388493520 /nfs/dbraw/zinc/49/35/20/388493520.db2.gz BWQFAYVCEOKNQC-KGLIPLIRSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CC[C@H](C)OC)cc1 ZINC000311129785 385192856 /nfs/dbraw/zinc/19/28/56/385192856.db2.gz BWQFAYVCEOKNQC-UONOGXRCSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)OC)cc1 ZINC000311129786 385193276 /nfs/dbraw/zinc/19/32/76/385193276.db2.gz BWQFAYVCEOKNQC-ZIAGYGMSSA-N 1 0 249.398 3.715 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccncc1)C1CCCCC1 ZINC000311139763 325235378 /nfs/dbraw/zinc/23/53/78/325235378.db2.gz FXCLCBKSOJNMPO-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1ccncc1 ZINC000311139764 325235294 /nfs/dbraw/zinc/23/52/94/325235294.db2.gz FXCLCBKSOJNMPO-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccnc1)C1CCCCC1 ZINC000311141930 385203535 /nfs/dbraw/zinc/20/35/35/385203535.db2.gz GJFQGFMZJROIOD-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccnc1)C1CCCCC1 ZINC000311141936 256534174 /nfs/dbraw/zinc/53/41/74/256534174.db2.gz GJFQGFMZJROIOD-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccnc1)C1CCCCC1 ZINC000311141942 385201306 /nfs/dbraw/zinc/20/13/06/385201306.db2.gz GJFQGFMZJROIOD-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1cccnc1 ZINC000311141948 385202635 /nfs/dbraw/zinc/20/26/35/385202635.db2.gz GJFQGFMZJROIOD-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCCC23CCCC3)on1 ZINC000311147300 178040765 /nfs/dbraw/zinc/04/07/65/178040765.db2.gz VECCISSMNRRHEZ-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCCC23CCCC3)on1 ZINC000311147301 178034104 /nfs/dbraw/zinc/03/41/04/178034104.db2.gz VECCISSMNRRHEZ-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)c1cn[nH]c1 ZINC000311154254 385340618 /nfs/dbraw/zinc/34/06/18/385340618.db2.gz WSCWZXLBKXSQKD-GXTWGEPZSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)c1cn[nH]c1 ZINC000311154256 385340684 /nfs/dbraw/zinc/34/06/84/385340684.db2.gz WSCWZXLBKXSQKD-JSGCOSHPSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)c1cn[nH]c1 ZINC000311154257 385341958 /nfs/dbraw/zinc/34/19/58/385341958.db2.gz WSCWZXLBKXSQKD-OCCSQVGLSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)c1cn[nH]c1 ZINC000311154258 385341584 /nfs/dbraw/zinc/34/15/84/385341584.db2.gz WSCWZXLBKXSQKD-TZMCWYRMSA-N 1 0 247.386 3.563 20 0 BHADRO Cn1ccc(C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000311162676 180704381 /nfs/dbraw/zinc/70/43/81/180704381.db2.gz YYMLVNCKQQGFAS-HNNXBMFYSA-N 1 0 246.398 3.618 20 0 BHADRO Cn1ccc(C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000311162677 180702754 /nfs/dbraw/zinc/70/27/54/180702754.db2.gz YYMLVNCKQQGFAS-OAHLLOKOSA-N 1 0 246.398 3.618 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000311165402 385344825 /nfs/dbraw/zinc/34/48/25/385344825.db2.gz NORZXABEGJSUSJ-IOASZLSFSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000311165403 385346375 /nfs/dbraw/zinc/34/63/75/385346375.db2.gz NORZXABEGJSUSJ-WOSRLPQWSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000311165404 174817765 /nfs/dbraw/zinc/81/77/65/174817765.db2.gz NORZXABEGJSUSJ-XJKCOSOUSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000311165405 385345296 /nfs/dbraw/zinc/34/52/96/385345296.db2.gz NORZXABEGJSUSJ-ZENOOKHLSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC1(C[NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000311172258 528472750 /nfs/dbraw/zinc/47/27/50/528472750.db2.gz RIIHIXKSIHEHCI-AWEZNQCLSA-N 1 0 247.382 3.687 20 0 BHADRO CCOC1(C[NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000311172259 397892443 /nfs/dbraw/zinc/89/24/43/397892443.db2.gz RIIHIXKSIHEHCI-CQSZACIVSA-N 1 0 247.382 3.687 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccn1)C1CCCCC1 ZINC000311172748 388493559 /nfs/dbraw/zinc/49/35/59/388493559.db2.gz RTOHNGHOYPADOQ-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccn1)C1CCCCC1 ZINC000311172749 229519989 /nfs/dbraw/zinc/51/99/89/229519989.db2.gz RTOHNGHOYPADOQ-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccn1)C1CCCCC1 ZINC000311172750 388493397 /nfs/dbraw/zinc/49/33/97/388493397.db2.gz RTOHNGHOYPADOQ-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1ccccn1 ZINC000311172751 388493241 /nfs/dbraw/zinc/49/32/41/388493241.db2.gz RTOHNGHOYPADOQ-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000311182359 388493255 /nfs/dbraw/zinc/49/32/55/388493255.db2.gz YRSVVMMOQQRWPD-KBPBESRZSA-N 1 0 249.398 3.886 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000311182360 533070484 /nfs/dbraw/zinc/07/04/84/533070484.db2.gz YRSVVMMOQQRWPD-KGLIPLIRSA-N 1 0 249.398 3.886 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000311182361 256534067 /nfs/dbraw/zinc/53/40/67/256534067.db2.gz YRSVVMMOQQRWPD-UONOGXRCSA-N 1 0 249.398 3.886 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000311182362 385220974 /nfs/dbraw/zinc/22/09/74/385220974.db2.gz YRSVVMMOQQRWPD-ZIAGYGMSSA-N 1 0 249.398 3.886 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000311189131 411327270 /nfs/dbraw/zinc/32/72/70/411327270.db2.gz BZQWZKSEALFTFD-LMOYCYGVSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000311189132 411326490 /nfs/dbraw/zinc/32/64/90/411326490.db2.gz BZQWZKSEALFTFD-NFFDBFGFSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000311189133 411327130 /nfs/dbraw/zinc/32/71/30/411327130.db2.gz BZQWZKSEALFTFD-RSUWNVLCSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000311189134 487753008 /nfs/dbraw/zinc/75/30/08/487753008.db2.gz BZQWZKSEALFTFD-WFGGJUAMSA-N 1 0 247.382 3.780 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000311189928 388494328 /nfs/dbraw/zinc/49/43/28/388494328.db2.gz CIALKYZLWDIBMD-CABCVRRESA-N 1 0 249.398 3.687 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000311189932 388494267 /nfs/dbraw/zinc/49/42/67/388494267.db2.gz CIALKYZLWDIBMD-GJZGRUSLSA-N 1 0 249.398 3.687 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000311189936 388494439 /nfs/dbraw/zinc/49/44/39/388494439.db2.gz CIALKYZLWDIBMD-HUUCEWRRSA-N 1 0 249.398 3.687 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000311189941 388494272 /nfs/dbraw/zinc/49/42/72/388494272.db2.gz CIALKYZLWDIBMD-LSDHHAIUSA-N 1 0 249.398 3.687 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccncc1)C1CCCCC1 ZINC000311196578 326213637 /nfs/dbraw/zinc/21/36/37/326213637.db2.gz FXCLCBKSOJNMPO-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccncc1)C1CCCCC1 ZINC000311196579 326213920 /nfs/dbraw/zinc/21/39/20/326213920.db2.gz FXCLCBKSOJNMPO-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCF)C[C@@H](c2ccccc2)C1 ZINC000311206816 259392209 /nfs/dbraw/zinc/39/22/09/259392209.db2.gz NCROPNBHNSPTLX-BPUTZDHNSA-N 1 0 249.373 3.908 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCF)C1 ZINC000311206817 259392287 /nfs/dbraw/zinc/39/22/87/259392287.db2.gz NCROPNBHNSPTLX-IMJJTQAJSA-N 1 0 249.373 3.908 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[C@H](c2ccccc2)C1 ZINC000311212602 388494119 /nfs/dbraw/zinc/49/41/19/388494119.db2.gz PYANZWSCFUBGLL-IAOVAPTHSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CC2)C[C@@H](c2ccccc2)C1 ZINC000311212603 388494783 /nfs/dbraw/zinc/49/47/83/388494783.db2.gz PYANZWSCFUBGLL-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[C@@H](c2ccccc2)C1 ZINC000311212604 533644131 /nfs/dbraw/zinc/64/41/31/533644131.db2.gz PYANZWSCFUBGLL-RRQGHBQHSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2CC2)C1 ZINC000311212605 388494250 /nfs/dbraw/zinc/49/42/50/388494250.db2.gz PYANZWSCFUBGLL-XKQJLSEDSA-N 1 0 243.394 3.958 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C(C)(C)C(C)(C)C ZINC000311214388 533387484 /nfs/dbraw/zinc/38/74/84/533387484.db2.gz MKZHLHHUTSGCDR-UHFFFAOYSA-N 1 0 249.398 3.918 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)c1ccccc1 ZINC000311224500 641323392 /nfs/dbraw/zinc/32/33/92/641323392.db2.gz QKMHIKDZYDLPHT-DXCHVLGVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC2CCC1CC2)c1ccccc1 ZINC000311224509 633085841 /nfs/dbraw/zinc/08/58/41/633085841.db2.gz QKMHIKDZYDLPHT-LYSZQXJVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000311224517 641322784 /nfs/dbraw/zinc/32/27/84/641322784.db2.gz QKMHIKDZYDLPHT-RKHAHWSXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000311224525 633085745 /nfs/dbraw/zinc/08/57/45/633085745.db2.gz QKMHIKDZYDLPHT-VFNXUKNFSA-N 1 0 243.394 3.958 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CC[C@H](C)OC)cc1 ZINC000311224923 136275839 /nfs/dbraw/zinc/27/58/39/136275839.db2.gz QNJYGUAAEDQEBT-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]CC[C@@H](C)OC)cc1 ZINC000311224924 136275714 /nfs/dbraw/zinc/27/57/14/136275714.db2.gz QNJYGUAAEDQEBT-CJNGLKHVSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CC[C@@H](C)OC)cc1 ZINC000311224925 136275748 /nfs/dbraw/zinc/27/57/48/136275748.db2.gz QNJYGUAAEDQEBT-CZUORRHYSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]CC[C@H](C)OC)cc1 ZINC000311224926 136275755 /nfs/dbraw/zinc/27/57/55/136275755.db2.gz QNJYGUAAEDQEBT-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000311230661 711683048 /nfs/dbraw/zinc/68/30/48/711683048.db2.gz QZCIIHOMQCCWMI-GOEBONIOSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000311230662 711683058 /nfs/dbraw/zinc/68/30/58/711683058.db2.gz QZCIIHOMQCCWMI-HOCLYGCPSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000311230663 711682938 /nfs/dbraw/zinc/68/29/38/711682938.db2.gz QZCIIHOMQCCWMI-ZBFHGGJFSA-N 1 0 249.398 3.621 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000311235160 491066872 /nfs/dbraw/zinc/06/68/72/491066872.db2.gz VNFCXCHRCCDODK-CYBMUJFWSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000311235161 566329594 /nfs/dbraw/zinc/32/95/94/566329594.db2.gz VNFCXCHRCCDODK-ZDUSSCGKSA-N 1 0 247.382 3.698 20 0 BHADRO CC[C@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC000311685210 487619152 /nfs/dbraw/zinc/61/91/52/487619152.db2.gz NEHDVOGQOAHRPE-AWEZNQCLSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC000311685214 487619481 /nfs/dbraw/zinc/61/94/81/487619481.db2.gz NEHDVOGQOAHRPE-CQSZACIVSA-N 1 0 244.338 3.532 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000311746316 633160227 /nfs/dbraw/zinc/16/02/27/633160227.db2.gz HXMKKHQWVHBJMH-LLVKDONJSA-N 1 0 238.375 3.604 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000311746317 633158519 /nfs/dbraw/zinc/15/85/19/633158519.db2.gz HXMKKHQWVHBJMH-NSHDSACASA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1oc(CC)nc1C ZINC000311748211 384019141 /nfs/dbraw/zinc/01/91/41/384019141.db2.gz IGAFZIYVBKWZKA-GFCCVEGCSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1oc(CC)nc1C ZINC000311748212 384017770 /nfs/dbraw/zinc/01/77/70/384017770.db2.gz IGAFZIYVBKWZKA-LBPRGKRZSA-N 1 0 238.375 3.604 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000311766962 346914076 /nfs/dbraw/zinc/91/40/76/346914076.db2.gz MAGPJYPDSPPZFF-JTQLQIEISA-N 1 0 238.375 3.596 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000311766963 346183424 /nfs/dbraw/zinc/18/34/24/346183424.db2.gz MAGPJYPDSPPZFF-SNVBAGLBSA-N 1 0 238.375 3.596 20 0 BHADRO CCCC(CCC)[NH2+]Cc1oc(CC)nc1C ZINC000311768052 388499820 /nfs/dbraw/zinc/49/98/20/388499820.db2.gz MENCQHFQKPACPT-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1oc(C)nc1C ZINC000311886242 346192679 /nfs/dbraw/zinc/19/26/79/346192679.db2.gz XMJQBTXJKGFRSU-CYBMUJFWSA-N 1 0 238.375 3.597 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1oc(C)nc1C ZINC000311886244 346192729 /nfs/dbraw/zinc/19/27/29/346192729.db2.gz XMJQBTXJKGFRSU-ZDUSSCGKSA-N 1 0 238.375 3.597 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312250023 538115522 /nfs/dbraw/zinc/11/55/22/538115522.db2.gz DEESBCDDEDRBHU-CYBMUJFWSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312250024 538115530 /nfs/dbraw/zinc/11/55/30/538115530.db2.gz DEESBCDDEDRBHU-ZDUSSCGKSA-N 1 0 239.334 3.503 20 0 BHADRO C/C=C\C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312555595 354979200 /nfs/dbraw/zinc/97/92/00/354979200.db2.gz HKKACLUCQLYCGR-IHWYPQMZSA-N 1 0 236.167 3.721 20 0 BHADRO C/C=C/C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312555597 346294077 /nfs/dbraw/zinc/29/40/77/346294077.db2.gz HKKACLUCQLYCGR-NSCUHMNNSA-N 1 0 236.167 3.721 20 0 BHADRO FCCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312603053 398308714 /nfs/dbraw/zinc/30/87/14/398308714.db2.gz OAJNJZPMJLAKMU-UHFFFAOYSA-N 1 0 242.146 3.504 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000312613351 384183198 /nfs/dbraw/zinc/18/31/98/384183198.db2.gz AJRYMWQKBIVNLN-SCZZXKLOSA-N 1 0 229.776 3.537 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccsc1Cl ZINC000312616066 386849391 /nfs/dbraw/zinc/84/93/91/386849391.db2.gz DFSMHEFMOVUFIF-MRVPVSSYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccsc1Cl ZINC000312616067 384188165 /nfs/dbraw/zinc/18/81/65/384188165.db2.gz DFSMHEFMOVUFIF-QMMMGPOBSA-N 1 0 217.765 3.537 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccsc1Cl ZINC000312684319 259324241 /nfs/dbraw/zinc/32/42/41/259324241.db2.gz NOVPJPHNDUNQHX-UHFFFAOYSA-N 1 0 239.718 3.536 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000312751291 384461419 /nfs/dbraw/zinc/46/14/19/384461419.db2.gz XAPHBFYSTGXBAR-DVVUODLYSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1sccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000312751293 322920663 /nfs/dbraw/zinc/92/06/63/322920663.db2.gz XAPHBFYSTGXBAR-MIMYLULJSA-N 1 0 241.787 3.680 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC000312974420 384973841 /nfs/dbraw/zinc/97/38/41/384973841.db2.gz KZGBYNSSXCVXPC-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC000312974422 384973656 /nfs/dbraw/zinc/97/36/56/384973656.db2.gz KZGBYNSSXCVXPC-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC000312974423 384973539 /nfs/dbraw/zinc/97/35/39/384973539.db2.gz KZGBYNSSXCVXPC-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC000312974424 384974640 /nfs/dbraw/zinc/97/46/40/384974640.db2.gz KZGBYNSSXCVXPC-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO C1=CCC([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000312980324 387474149 /nfs/dbraw/zinc/47/41/49/387474149.db2.gz ADKLNPQPRALKAV-AWEZNQCLSA-N 1 0 219.372 3.798 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000312980326 385015107 /nfs/dbraw/zinc/01/51/07/385015107.db2.gz ADKLNPQPRALKAV-CQSZACIVSA-N 1 0 219.372 3.798 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)c1ncc[nH]1 ZINC000312984014 634423224 /nfs/dbraw/zinc/42/32/24/634423224.db2.gz DYOXJJMMYVLKAX-CHWSQXEVSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CCCCC2)c1ncc[nH]1 ZINC000312984015 634421425 /nfs/dbraw/zinc/42/14/25/634421425.db2.gz DYOXJJMMYVLKAX-OLZOCXBDSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)c1ncc[nH]1 ZINC000312984016 634422220 /nfs/dbraw/zinc/42/22/20/634422220.db2.gz DYOXJJMMYVLKAX-QWHCGFSZSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)c1ncc[nH]1 ZINC000312984017 634423748 /nfs/dbraw/zinc/42/37/48/634423748.db2.gz DYOXJJMMYVLKAX-STQMWFEESA-N 1 0 247.386 3.563 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998876 410456201 /nfs/dbraw/zinc/45/62/01/410456201.db2.gz GYJGOVZCYYLOMH-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998877 410455088 /nfs/dbraw/zinc/45/50/88/410455088.db2.gz GYJGOVZCYYLOMH-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998879 409981148 /nfs/dbraw/zinc/98/11/48/409981148.db2.gz GYJGOVZCYYLOMH-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998881 410454938 /nfs/dbraw/zinc/45/49/38/410454938.db2.gz GYJGOVZCYYLOMH-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)c1cn[nH]c1 ZINC000313001071 410454811 /nfs/dbraw/zinc/45/48/11/410454811.db2.gz YELOJLPQZIOGEH-GXTWGEPZSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)c1cn[nH]c1 ZINC000313001073 410454587 /nfs/dbraw/zinc/45/45/87/410454587.db2.gz YELOJLPQZIOGEH-JSGCOSHPSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CCCCC2)c1cn[nH]c1 ZINC000313001074 410454711 /nfs/dbraw/zinc/45/47/11/410454711.db2.gz YELOJLPQZIOGEH-OCCSQVGLSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)c1cn[nH]c1 ZINC000313001076 410455711 /nfs/dbraw/zinc/45/57/11/410455711.db2.gz YELOJLPQZIOGEH-TZMCWYRMSA-N 1 0 247.386 3.563 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313002427 488181862 /nfs/dbraw/zinc/18/18/62/488181862.db2.gz JMLMWPPUIREOME-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313002429 488181945 /nfs/dbraw/zinc/18/19/45/488181945.db2.gz JMLMWPPUIREOME-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313002431 488182166 /nfs/dbraw/zinc/18/21/66/488182166.db2.gz JMLMWPPUIREOME-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313002432 488182113 /nfs/dbraw/zinc/18/21/13/488182113.db2.gz JMLMWPPUIREOME-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCOCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313005648 385106172 /nfs/dbraw/zinc/10/61/72/385106172.db2.gz LQASXCSMJZRLQW-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313005651 385106061 /nfs/dbraw/zinc/10/60/61/385106061.db2.gz LQASXCSMJZRLQW-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO C1C[C@@H]([NH2+][C@@H]2CCSC2)C2(C1)CCCCC2 ZINC000313006844 385109669 /nfs/dbraw/zinc/10/96/69/385109669.db2.gz MQLMGDXYONHTJJ-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C1C[C@H]([NH2+][C@@H]2CCSC2)C2(C1)CCCCC2 ZINC000313006847 385110670 /nfs/dbraw/zinc/11/06/70/385110670.db2.gz MQLMGDXYONHTJJ-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C1C[C@@H]([NH2+][C@H]2CCSC2)C2(C1)CCCCC2 ZINC000313006850 385109224 /nfs/dbraw/zinc/10/92/24/385109224.db2.gz MQLMGDXYONHTJJ-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C1C[C@H]([NH2+][C@H]2CCSC2)C2(C1)CCCCC2 ZINC000313006854 385107947 /nfs/dbraw/zinc/10/79/47/385107947.db2.gz MQLMGDXYONHTJJ-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCC23CCCCC3)c[nH]1 ZINC000313007523 491132910 /nfs/dbraw/zinc/13/29/10/491132910.db2.gz KCJBZLFKSXHKPZ-AWEZNQCLSA-N 1 0 232.371 3.607 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCC23CCCCC3)c[nH]1 ZINC000313007524 491132931 /nfs/dbraw/zinc/13/29/31/491132931.db2.gz KCJBZLFKSXHKPZ-CQSZACIVSA-N 1 0 232.371 3.607 20 0 BHADRO COCCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313014693 385147667 /nfs/dbraw/zinc/14/76/67/385147667.db2.gz SSWCXVYHGCQLKN-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO COCCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313014694 385147767 /nfs/dbraw/zinc/14/77/67/385147767.db2.gz SSWCXVYHGCQLKN-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313014737 385148714 /nfs/dbraw/zinc/14/87/14/385148714.db2.gz SZROWHPTIYDLMT-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313014738 256532729 /nfs/dbraw/zinc/53/27/29/256532729.db2.gz SZROWHPTIYDLMT-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313014739 385147417 /nfs/dbraw/zinc/14/74/17/385147417.db2.gz SZROWHPTIYDLMT-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313014741 385148125 /nfs/dbraw/zinc/14/81/25/385148125.db2.gz SZROWHPTIYDLMT-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313020355 259453378 /nfs/dbraw/zinc/45/33/78/259453378.db2.gz AKSTZILCVDMMQM-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313020363 385175777 /nfs/dbraw/zinc/17/57/77/385175777.db2.gz AKSTZILCVDMMQM-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CCCCC3)no1 ZINC000313030864 370564013 /nfs/dbraw/zinc/56/40/13/370564013.db2.gz BZDDMEPTXNITDB-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CCCCC3)no1 ZINC000313030865 370564520 /nfs/dbraw/zinc/56/45/20/370564520.db2.gz BZDDMEPTXNITDB-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CCCCC3)on1 ZINC000313031441 256534379 /nfs/dbraw/zinc/53/43/79/256534379.db2.gz CMTYKPFXQIKOTA-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CCCCC3)on1 ZINC000313031457 385221394 /nfs/dbraw/zinc/22/13/94/385221394.db2.gz CMTYKPFXQIKOTA-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCC23CCCCC3)o1 ZINC000313049602 487600070 /nfs/dbraw/zinc/60/00/70/487600070.db2.gz RJISURISADLRLY-CYBMUJFWSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCC23CCCCC3)o1 ZINC000313049610 487600244 /nfs/dbraw/zinc/60/02/44/487600244.db2.gz RJISURISADLRLY-ZDUSSCGKSA-N 1 0 248.370 3.576 20 0 BHADRO C1CC([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313050961 322945170 /nfs/dbraw/zinc/94/51/70/322945170.db2.gz ZKKZBKRBCGLWEG-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CC([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313050963 385271608 /nfs/dbraw/zinc/27/16/08/385271608.db2.gz ZKKZBKRBCGLWEG-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO CC[C@@H](O)[C@@H](CC)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000313093675 259330736 /nfs/dbraw/zinc/33/07/36/259330736.db2.gz BYQORLYLHAEPQJ-ARFHVFGLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H](O)[C@H](CC)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000313093677 259330787 /nfs/dbraw/zinc/33/07/87/259330787.db2.gz BYQORLYLHAEPQJ-HRCADAONSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000313093679 259331047 /nfs/dbraw/zinc/33/10/47/259331047.db2.gz BYQORLYLHAEPQJ-JYJNAYRXSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1cccc(C)c1)[C@@H](O)CC ZINC000313093681 259331044 /nfs/dbraw/zinc/33/10/44/259331044.db2.gz BYQORLYLHAEPQJ-XHSDSOJGSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)[C@@H](O)CC ZINC000313095735 383867235 /nfs/dbraw/zinc/86/72/35/383867235.db2.gz DCKUJTSRFMMNCE-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000313095737 383867020 /nfs/dbraw/zinc/86/70/20/383867020.db2.gz DCKUJTSRFMMNCE-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)[C@@H](O)CC ZINC000313095740 383866688 /nfs/dbraw/zinc/86/66/88/383866688.db2.gz DCKUJTSRFMMNCE-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000313095741 383867297 /nfs/dbraw/zinc/86/72/97/383867297.db2.gz DCKUJTSRFMMNCE-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCC23CCCCC3)ccn1 ZINC000313100232 411050267 /nfs/dbraw/zinc/05/02/67/411050267.db2.gz GQWGMLIFNVITAY-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCC23CCCCC3)ccn1 ZINC000313100234 411051292 /nfs/dbraw/zinc/05/12/92/411051292.db2.gz GQWGMLIFNVITAY-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)[C@@H](O)CC ZINC000313102519 383880805 /nfs/dbraw/zinc/88/08/05/383880805.db2.gz HIVVSZFUEYFBDG-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000313102520 383880174 /nfs/dbraw/zinc/88/01/74/383880174.db2.gz HIVVSZFUEYFBDG-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)[C@@H](O)CC ZINC000313102521 383879711 /nfs/dbraw/zinc/87/97/11/383879711.db2.gz HIVVSZFUEYFBDG-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000313102522 383879912 /nfs/dbraw/zinc/87/99/12/383879912.db2.gz HIVVSZFUEYFBDG-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1C)[C@@H](O)CC ZINC000313108407 383895071 /nfs/dbraw/zinc/89/50/71/383895071.db2.gz KKLRDUVGWLOWRU-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000313108411 256538541 /nfs/dbraw/zinc/53/85/41/256538541.db2.gz KKLRDUVGWLOWRU-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1C)[C@@H](O)CC ZINC000313108413 256538441 /nfs/dbraw/zinc/53/84/41/256538441.db2.gz KKLRDUVGWLOWRU-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000313108415 383896323 /nfs/dbraw/zinc/89/63/23/383896323.db2.gz KKLRDUVGWLOWRU-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)[C@H](O)CC)c1ccccc1 ZINC000313113142 383902807 /nfs/dbraw/zinc/90/28/07/383902807.db2.gz NFAQUIQSJHFVKD-HRCADAONSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)[C@@H](O)CC)c1ccccc1 ZINC000313113144 383903071 /nfs/dbraw/zinc/90/30/71/383903071.db2.gz NFAQUIQSJHFVKD-JYJNAYRXSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@H](O)CC)c1ccccc1 ZINC000313113146 383902869 /nfs/dbraw/zinc/90/28/69/383902869.db2.gz NFAQUIQSJHFVKD-OWCLPIDISA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@@H](O)CC)c1ccccc1 ZINC000313113148 383902466 /nfs/dbraw/zinc/90/24/66/383902466.db2.gz NFAQUIQSJHFVKD-PMPSAXMXSA-N 1 0 249.398 3.667 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313113337 383902555 /nfs/dbraw/zinc/90/25/55/383902555.db2.gz NDBCSCNGYNUJKI-CYBMUJFWSA-N 1 0 227.367 3.829 20 0 BHADRO FCCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313113339 383902010 /nfs/dbraw/zinc/90/20/10/383902010.db2.gz NDBCSCNGYNUJKI-ZDUSSCGKSA-N 1 0 227.367 3.829 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCCC23CCCCC3)nc1 ZINC000313117688 537821953 /nfs/dbraw/zinc/82/19/53/537821953.db2.gz PTAMUWIYVVWIQX-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCCC23CCCCC3)nc1 ZINC000313117695 537821455 /nfs/dbraw/zinc/82/14/55/537821455.db2.gz PTAMUWIYVVWIQX-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313119452 256539282 /nfs/dbraw/zinc/53/92/82/256539282.db2.gz QOZMLXZIVSAOKM-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313119460 383905869 /nfs/dbraw/zinc/90/58/69/383905869.db2.gz QOZMLXZIVSAOKM-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO c1cncc(C[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC000313121143 383910523 /nfs/dbraw/zinc/91/05/23/383910523.db2.gz RHAHZIIZMGWYJV-HNNXBMFYSA-N 1 0 244.382 3.674 20 0 BHADRO c1cncc(C[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC000313121145 383908799 /nfs/dbraw/zinc/90/87/99/383908799.db2.gz RHAHZIIZMGWYJV-OAHLLOKOSA-N 1 0 244.382 3.674 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1C)[C@@H](O)CC ZINC000313124174 383912761 /nfs/dbraw/zinc/91/27/61/383912761.db2.gz WWKJBOHMTVGTIX-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000313124177 383912138 /nfs/dbraw/zinc/91/21/38/383912138.db2.gz WWKJBOHMTVGTIX-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)[C@@H](O)CC ZINC000313124180 256539811 /nfs/dbraw/zinc/53/98/11/256539811.db2.gz WWKJBOHMTVGTIX-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000313124183 256539752 /nfs/dbraw/zinc/53/97/52/256539752.db2.gz WWKJBOHMTVGTIX-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H](O)[C@@H](CC)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000313137492 383927014 /nfs/dbraw/zinc/92/70/14/383927014.db2.gz GFORLFZYNJJARR-ARFHVFGLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H](O)[C@H](CC)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000313137493 383925310 /nfs/dbraw/zinc/92/53/10/383925310.db2.gz GFORLFZYNJJARR-HRCADAONSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000313137495 383924989 /nfs/dbraw/zinc/92/49/89/383924989.db2.gz GFORLFZYNJJARR-JYJNAYRXSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1)[C@@H](O)CC ZINC000313137496 383925574 /nfs/dbraw/zinc/92/55/74/383925574.db2.gz GFORLFZYNJJARR-XHSDSOJGSA-N 1 0 249.398 3.585 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CCCC(C)(C)C ZINC000313255076 370574412 /nfs/dbraw/zinc/57/44/12/370574412.db2.gz QQSGYKDLKSJNHE-UHFFFAOYSA-N 1 0 249.398 3.920 20 0 BHADRO COC[C@H]([NH2+]CCCC(C)(C)C)c1ccccc1 ZINC000313257782 322951814 /nfs/dbraw/zinc/95/18/14/322951814.db2.gz VUMZBHAABVGHDU-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO COC[C@@H]([NH2+]CCCC(C)(C)C)c1ccccc1 ZINC000313257784 384166721 /nfs/dbraw/zinc/16/67/21/384166721.db2.gz VUMZBHAABVGHDU-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000313262318 326260645 /nfs/dbraw/zinc/26/06/45/326260645.db2.gz BSTUBRZJFNELJW-YNEHKIRRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1c(F)cccc1F ZINC000313272256 370575602 /nfs/dbraw/zinc/57/56/02/370575602.db2.gz QKHHXASXCAOCRP-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1cccc(F)c1F ZINC000313273534 343976556 /nfs/dbraw/zinc/97/65/56/343976556.db2.gz RZFRPAKJYGQIGO-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC(C)(C)C ZINC000313276668 370576611 /nfs/dbraw/zinc/57/66/11/370576611.db2.gz YQSNIUHGTNUNBM-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC(C)(C)C ZINC000313276669 370576692 /nfs/dbraw/zinc/57/66/92/370576692.db2.gz YQSNIUHGTNUNBM-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000313280547 491054497 /nfs/dbraw/zinc/05/44/97/491054497.db2.gz JHKGIXWSKJHSPG-AWEZNQCLSA-N 1 0 246.398 3.875 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000313280548 491054493 /nfs/dbraw/zinc/05/44/93/491054493.db2.gz JHKGIXWSKJHSPG-CQSZACIVSA-N 1 0 246.398 3.875 20 0 BHADRO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccccc1 ZINC000313302223 256547052 /nfs/dbraw/zinc/54/70/52/256547052.db2.gz PNPJUCDVIDJAQX-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)C1CCCC1 ZINC000313385842 631253051 /nfs/dbraw/zinc/25/30/51/631253051.db2.gz HBOGPZZSCCOIRY-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)C1CCCC1 ZINC000313385844 631251208 /nfs/dbraw/zinc/25/12/08/631251208.db2.gz HBOGPZZSCCOIRY-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)C1CCCC1 ZINC000313385846 487825369 /nfs/dbraw/zinc/82/53/69/487825369.db2.gz HBOGPZZSCCOIRY-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)C1CCCC1 ZINC000313385848 487825548 /nfs/dbraw/zinc/82/55/48/487825548.db2.gz HBOGPZZSCCOIRY-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C1CCCC1 ZINC000313393826 259334255 /nfs/dbraw/zinc/33/42/55/259334255.db2.gz NEHQXIDOVLYOOQ-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C1CCCC1 ZINC000313393827 259334336 /nfs/dbraw/zinc/33/43/36/259334336.db2.gz NEHQXIDOVLYOOQ-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C1CCCC1 ZINC000313393828 259334544 /nfs/dbraw/zinc/33/45/44/259334544.db2.gz NEHQXIDOVLYOOQ-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C1CCCC1 ZINC000313393829 259334292 /nfs/dbraw/zinc/33/42/92/259334292.db2.gz NEHQXIDOVLYOOQ-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccccn1)C1CCCC1 ZINC000313394316 259334484 /nfs/dbraw/zinc/33/44/84/259334484.db2.gz GOMQXOQPPRQBEO-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccccn1)C1CCCC1 ZINC000313394321 259334257 /nfs/dbraw/zinc/33/42/57/259334257.db2.gz GOMQXOQPPRQBEO-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H]([NH2+]CCCCOCC)C1CCCC1 ZINC000313395473 259334432 /nfs/dbraw/zinc/33/44/32/259334432.db2.gz HTGDRSBQNZUVAS-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOCC)C1CCCC1 ZINC000313395476 259334510 /nfs/dbraw/zinc/33/45/10/259334510.db2.gz HTGDRSBQNZUVAS-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccncc1)C1CCCC1 ZINC000313397253 259334414 /nfs/dbraw/zinc/33/44/14/259334414.db2.gz ILOMWRZIWNYFCO-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccncc1)C1CCCC1 ZINC000313397254 384057236 /nfs/dbraw/zinc/05/72/36/384057236.db2.gz ILOMWRZIWNYFCO-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CCCC1 ZINC000313400988 259334337 /nfs/dbraw/zinc/33/43/37/259334337.db2.gz UKEMZBLMMRIOPR-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CCCC1 ZINC000313400991 259334562 /nfs/dbraw/zinc/33/45/62/259334562.db2.gz UKEMZBLMMRIOPR-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CCCC1 ZINC000313400993 259334456 /nfs/dbraw/zinc/33/44/56/259334456.db2.gz UKEMZBLMMRIOPR-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCCC1 ZINC000313400995 259334495 /nfs/dbraw/zinc/33/44/95/259334495.db2.gz UKEMZBLMMRIOPR-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000313401314 259334296 /nfs/dbraw/zinc/33/42/96/259334296.db2.gz UUBQTIKJUFQUNA-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000313401315 259334261 /nfs/dbraw/zinc/33/42/61/259334261.db2.gz UUBQTIKJUFQUNA-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000313401316 259334518 /nfs/dbraw/zinc/33/45/18/259334518.db2.gz UUBQTIKJUFQUNA-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000313401317 259334490 /nfs/dbraw/zinc/33/44/90/259334490.db2.gz UUBQTIKJUFQUNA-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnccc1C)C1CCCC1 ZINC000313405456 259334364 /nfs/dbraw/zinc/33/43/64/259334364.db2.gz BCPISBOVCQZHMJ-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnccc1C)C1CCCC1 ZINC000313405457 259334390 /nfs/dbraw/zinc/33/43/90/259334390.db2.gz BCPISBOVCQZHMJ-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccncc1)C1CCCC1 ZINC000313409535 259335103 /nfs/dbraw/zinc/33/51/03/259335103.db2.gz DMTLJMSKHBPHTA-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccncc1)C1CCCC1 ZINC000313409537 259335094 /nfs/dbraw/zinc/33/50/94/259335094.db2.gz DMTLJMSKHBPHTA-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccc(C)n1)C1CCCC1 ZINC000313409564 398309979 /nfs/dbraw/zinc/30/99/79/398309979.db2.gz DPLYACGRDGEYSY-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccc(C)n1)C1CCCC1 ZINC000313409566 398309969 /nfs/dbraw/zinc/30/99/69/398309969.db2.gz DPLYACGRDGEYSY-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccnc1)C1CCCC1 ZINC000313418059 487831076 /nfs/dbraw/zinc/83/10/76/487831076.db2.gz WQVXDDCHMUPTAE-HNNXBMFYSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccnc1)C1CCCC1 ZINC000313418061 487831132 /nfs/dbraw/zinc/83/11/32/487831132.db2.gz WQVXDDCHMUPTAE-OAHLLOKOSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccnc(C)c1)C1CCCC1 ZINC000313418320 384356326 /nfs/dbraw/zinc/35/63/26/384356326.db2.gz DMMUDEJRAUBKSQ-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccnc(C)c1)C1CCCC1 ZINC000313418321 384355960 /nfs/dbraw/zinc/35/59/60/384355960.db2.gz DMMUDEJRAUBKSQ-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]C1CC=CC1)C1CCCC1 ZINC000313419486 711724299 /nfs/dbraw/zinc/72/42/99/711724299.db2.gz YEXMBRLNEGZFKW-AWEZNQCLSA-N 1 0 207.361 3.654 20 0 BHADRO CCC[C@@H]([NH2+]C1CC=CC1)C1CCCC1 ZINC000313419487 711724060 /nfs/dbraw/zinc/72/40/60/711724060.db2.gz YEXMBRLNEGZFKW-CQSZACIVSA-N 1 0 207.361 3.654 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)nc1)C1CCCC1 ZINC000313419854 384355913 /nfs/dbraw/zinc/35/59/13/384355913.db2.gz QHYUTBJNVODZRE-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)nc1)C1CCCC1 ZINC000313419856 384356443 /nfs/dbraw/zinc/35/64/43/384356443.db2.gz QHYUTBJNVODZRE-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncccc1C)C1CCCC1 ZINC000313419913 384356403 /nfs/dbraw/zinc/35/64/03/384356403.db2.gz QOZZAYSPMRNMNH-HNNXBMFYSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncccc1C)C1CCCC1 ZINC000313419915 256547953 /nfs/dbraw/zinc/54/79/53/256547953.db2.gz QOZZAYSPMRNMNH-OAHLLOKOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]([NH2+]CCc1cccnc1)C1CCCC1 ZINC000313421319 384358520 /nfs/dbraw/zinc/35/85/20/384358520.db2.gz RNWJXTLTNIDMSM-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCc1cccnc1)C1CCCC1 ZINC000313421322 384358806 /nfs/dbraw/zinc/35/88/06/384358806.db2.gz RNWJXTLTNIDMSM-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)C1CCCC1 ZINC000313422336 259337063 /nfs/dbraw/zinc/33/70/63/259337063.db2.gz JFUWTJNHDTXSML-CYBMUJFWSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)C1CCCC1 ZINC000313422338 259336968 /nfs/dbraw/zinc/33/69/68/259336968.db2.gz JFUWTJNHDTXSML-ZDUSSCGKSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccccn1)C1CCCC1 ZINC000313425288 398231844 /nfs/dbraw/zinc/23/18/44/398231844.db2.gz XLQSCXNTYTVUAR-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccccn1)C1CCCC1 ZINC000313425289 398232304 /nfs/dbraw/zinc/23/23/04/398232304.db2.gz XLQSCXNTYTVUAR-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)C1CCCC1 ZINC000313427578 398232678 /nfs/dbraw/zinc/23/26/78/398232678.db2.gz LNNFBLYVFKXXLJ-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)C1CCCC1 ZINC000313427580 398232599 /nfs/dbraw/zinc/23/25/99/398232599.db2.gz LNNFBLYVFKXXLJ-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccncc1C)C1CCCC1 ZINC000313436515 370586201 /nfs/dbraw/zinc/58/62/01/370586201.db2.gz VTEAQGYHZRGEON-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccncc1C)C1CCCC1 ZINC000313436516 370586691 /nfs/dbraw/zinc/58/66/91/370586691.db2.gz VTEAQGYHZRGEON-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nccs1)C1CCCC1 ZINC000313455976 384396225 /nfs/dbraw/zinc/39/62/25/384396225.db2.gz BIFBVXINTWJCIP-GFCCVEGCSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1nccs1)C1CCCC1 ZINC000313455977 384396067 /nfs/dbraw/zinc/39/60/67/384396067.db2.gz BIFBVXINTWJCIP-LBPRGKRZSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]([NH2+]C1CCSCC1)C1CCCC1 ZINC000313458488 384399779 /nfs/dbraw/zinc/39/97/79/384399779.db2.gz DURZLHWNSCMQCX-AWEZNQCLSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@@H]([NH2+]C1CCSCC1)C1CCCC1 ZINC000313458490 383995664 /nfs/dbraw/zinc/99/56/64/383995664.db2.gz DURZLHWNSCMQCX-CQSZACIVSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000313461316 370587675 /nfs/dbraw/zinc/58/76/75/370587675.db2.gz NRYZYZOMDALQIJ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000313461322 370587858 /nfs/dbraw/zinc/58/78/58/370587858.db2.gz NRYZYZOMDALQIJ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000313467046 384402179 /nfs/dbraw/zinc/40/21/79/384402179.db2.gz LRLDDTBJIGDTCX-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000313467048 256549071 /nfs/dbraw/zinc/54/90/71/256549071.db2.gz LRLDDTBJIGDTCX-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000313467049 384403239 /nfs/dbraw/zinc/40/32/39/384403239.db2.gz LRLDDTBJIGDTCX-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000313467051 384402699 /nfs/dbraw/zinc/40/26/99/384402699.db2.gz LRLDDTBJIGDTCX-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC000313468890 384408146 /nfs/dbraw/zinc/40/81/46/384408146.db2.gz MSFOFXKMVKQHTA-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC000313468892 256549138 /nfs/dbraw/zinc/54/91/38/256549138.db2.gz MSFOFXKMVKQHTA-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cscn1)C1CCCC1 ZINC000313476055 384415115 /nfs/dbraw/zinc/41/51/15/384415115.db2.gz UHKGZWSGAJSFGO-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1cscn1)C1CCCC1 ZINC000313476057 384415652 /nfs/dbraw/zinc/41/56/52/384415652.db2.gz UHKGZWSGAJSFGO-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncs1)C1CCCC1 ZINC000313477393 384414870 /nfs/dbraw/zinc/41/48/70/384414870.db2.gz VJLLMESHBRPBBS-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncs1)C1CCCC1 ZINC000313477396 384415567 /nfs/dbraw/zinc/41/55/67/384415567.db2.gz VJLLMESHBRPBBS-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]([NH2+]CCC(F)(F)F)C1CCCC1 ZINC000313479619 322956947 /nfs/dbraw/zinc/95/69/47/322956947.db2.gz WWWBVLZLOLXSDJ-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@H]([NH2+]CCC(F)(F)F)C1CCCC1 ZINC000313479624 322956995 /nfs/dbraw/zinc/95/69/95/322956995.db2.gz WWWBVLZLOLXSDJ-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccncc1Cl ZINC000313479856 351364018 /nfs/dbraw/zinc/36/40/18/351364018.db2.gz JFIGOXXONWNUCM-UHFFFAOYSA-N 1 0 240.778 3.651 20 0 BHADRO CCC[C@H]([NH2+]CCCCCOC)C1CCCC1 ZINC000313483403 490331350 /nfs/dbraw/zinc/33/13/50/490331350.db2.gz ZYDHRCWPJVLSLT-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCOC)C1CCCC1 ZINC000313483405 256549335 /nfs/dbraw/zinc/54/93/35/256549335.db2.gz ZYDHRCWPJVLSLT-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H](O)c1ccccc1 ZINC000313558252 641569208 /nfs/dbraw/zinc/56/92/08/641569208.db2.gz LKYUBVUSCOULGS-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000313558253 634484921 /nfs/dbraw/zinc/48/49/21/634484921.db2.gz LKYUBVUSCOULGS-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000313806958 259365930 /nfs/dbraw/zinc/36/59/30/259365930.db2.gz AKFHZASYPZFQEC-UHFFFAOYSA-N 1 0 234.387 3.757 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)c(C)n1)C1CCC1 ZINC000313819424 259365958 /nfs/dbraw/zinc/36/59/58/259365958.db2.gz KFGQNXPBDVCDJX-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)C1CCC1 ZINC000313819428 259366003 /nfs/dbraw/zinc/36/60/03/259366003.db2.gz KFGQNXPBDVCDJX-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+]C2CCCCCC2)nc1C ZINC000313860859 259366144 /nfs/dbraw/zinc/36/61/44/259366144.db2.gz WFNNACCZQIQFHR-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC(C)C)nc1C ZINC000313877653 256600685 /nfs/dbraw/zinc/60/06/85/256600685.db2.gz BIWKYYDGAOILMG-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC(C)C)nc1C ZINC000313877658 384688139 /nfs/dbraw/zinc/68/81/39/384688139.db2.gz BIWKYYDGAOILMG-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)nc1C ZINC000313916300 384699268 /nfs/dbraw/zinc/69/92/68/384699268.db2.gz JWACVLNOBIIVCJ-DOMZBBRYSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)nc1C ZINC000313916301 384699199 /nfs/dbraw/zinc/69/91/99/384699199.db2.gz JWACVLNOBIIVCJ-IUODEOHRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)nc1C ZINC000313916302 384699445 /nfs/dbraw/zinc/69/94/45/384699445.db2.gz JWACVLNOBIIVCJ-SWLSCSKDSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)nc1C ZINC000313916303 384698104 /nfs/dbraw/zinc/69/81/04/384698104.db2.gz JWACVLNOBIIVCJ-WFASDCNBSA-N 1 0 246.398 3.613 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)C1CCCC1 ZINC000313917825 384699252 /nfs/dbraw/zinc/69/92/52/384699252.db2.gz KGPDTVVORPJZTH-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)C1CCCC1 ZINC000313917826 384698527 /nfs/dbraw/zinc/69/85/27/384698527.db2.gz KGPDTVVORPJZTH-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000313965845 384733123 /nfs/dbraw/zinc/73/31/23/384733123.db2.gz SHEXKUAKAMJPRZ-AWEZNQCLSA-N 1 0 234.387 3.757 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000313965846 384733112 /nfs/dbraw/zinc/73/31/12/384733112.db2.gz SHEXKUAKAMJPRZ-CQSZACIVSA-N 1 0 234.387 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCCCC2)nc1C ZINC000313966199 256600682 /nfs/dbraw/zinc/60/06/82/256600682.db2.gz SIYMMFZEXXVNFK-AWEZNQCLSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCCCC2)nc1C ZINC000313966201 384732951 /nfs/dbraw/zinc/73/29/51/384732951.db2.gz SIYMMFZEXXVNFK-CQSZACIVSA-N 1 0 246.398 3.757 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000314095478 633751151 /nfs/dbraw/zinc/75/11/51/633751151.db2.gz DFRNKFBPRFSFEH-CYBMUJFWSA-N 1 0 234.387 3.757 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000314095483 633749292 /nfs/dbraw/zinc/74/92/92/633749292.db2.gz DFRNKFBPRFSFEH-ZDUSSCGKSA-N 1 0 234.387 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cccs2)nc1C ZINC000314125467 384811921 /nfs/dbraw/zinc/81/19/21/384811921.db2.gz HSQODUZEPUENHQ-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)nc1C ZINC000314125470 384809193 /nfs/dbraw/zinc/80/91/93/384809193.db2.gz HSQODUZEPUENHQ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C)nc1C ZINC000314750249 386996840 /nfs/dbraw/zinc/99/68/40/386996840.db2.gz IRHKPKXSEJWZEH-GFCCVEGCSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)nc1C ZINC000314750260 256680114 /nfs/dbraw/zinc/68/01/14/256680114.db2.gz IRHKPKXSEJWZEH-LBPRGKRZSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC23CCC3)nc1C ZINC000314877698 387289855 /nfs/dbraw/zinc/28/98/55/387289855.db2.gz YSFSICYTGLRYQG-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC23CCC3)nc1C ZINC000314877699 518188832 /nfs/dbraw/zinc/18/88/32/518188832.db2.gz YSFSICYTGLRYQG-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)nc1C ZINC000314879081 387299175 /nfs/dbraw/zinc/29/91/75/387299175.db2.gz YWIHCMJNXNXXSL-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)nc1C ZINC000314879082 387298890 /nfs/dbraw/zinc/29/88/90/387298890.db2.gz YWIHCMJNXNXXSL-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO COC1(C[NH2+][C@@H]2CCC(C)(C)C2)CCCCC1 ZINC000318920980 259380455 /nfs/dbraw/zinc/38/04/55/259380455.db2.gz CXWSXBTXMYXSMO-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@H]2CCC(C)(C)C2)CCCCC1 ZINC000318920981 259380492 /nfs/dbraw/zinc/38/04/92/259380492.db2.gz CXWSXBTXMYXSMO-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1(OC)CCCCC1 ZINC000318926943 323136373 /nfs/dbraw/zinc/13/63/73/323136373.db2.gz DXMFMBTXGYLLEP-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(OC)CCCCC1 ZINC000318926944 323136350 /nfs/dbraw/zinc/13/63/50/323136350.db2.gz DXMFMBTXGYLLEP-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1(OC)CCCCC1 ZINC000318926945 323136311 /nfs/dbraw/zinc/13/63/11/323136311.db2.gz DXMFMBTXGYLLEP-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1(OC)CCCCC1 ZINC000318926946 323136334 /nfs/dbraw/zinc/13/63/34/323136334.db2.gz DXMFMBTXGYLLEP-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000318975982 259381128 /nfs/dbraw/zinc/38/11/28/259381128.db2.gz HQSLGHSGGMZNKG-CHWSQXEVSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000318975984 259381163 /nfs/dbraw/zinc/38/11/63/259381163.db2.gz HQSLGHSGGMZNKG-OLZOCXBDSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000318975985 259381130 /nfs/dbraw/zinc/38/11/30/259381130.db2.gz HQSLGHSGGMZNKG-QWHCGFSZSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000318975987 259381194 /nfs/dbraw/zinc/38/11/94/259381194.db2.gz HQSLGHSGGMZNKG-STQMWFEESA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000318981035 384983599 /nfs/dbraw/zinc/98/35/99/384983599.db2.gz INWNURPRXFNIJK-CHWSQXEVSA-N 1 0 246.398 3.668 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000318981036 384983574 /nfs/dbraw/zinc/98/35/74/384983574.db2.gz INWNURPRXFNIJK-OLZOCXBDSA-N 1 0 246.398 3.668 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000318981038 171361925 /nfs/dbraw/zinc/36/19/25/171361925.db2.gz INWNURPRXFNIJK-QWHCGFSZSA-N 1 0 246.398 3.668 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000318981040 171386322 /nfs/dbraw/zinc/38/63/22/171386322.db2.gz INWNURPRXFNIJK-STQMWFEESA-N 1 0 246.398 3.668 20 0 BHADRO COC1(C[NH2+][C@H](C)C2CCCC2)CCCCC1 ZINC000319075523 259383428 /nfs/dbraw/zinc/38/34/28/259383428.db2.gz RPRUMZFJPZENIT-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)C2CCCC2)CCCCC1 ZINC000319076288 259383433 /nfs/dbraw/zinc/38/34/33/259383433.db2.gz RPRUMZFJPZENIT-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2ccccc2)CCCCC1 ZINC000319103039 259384455 /nfs/dbraw/zinc/38/44/55/259384455.db2.gz XEZCYTMTYLFPFH-AWEZNQCLSA-N 1 0 247.382 3.687 20 0 BHADRO COC1(C[NH2+][C@H](C)c2ccccc2)CCCCC1 ZINC000319103040 259384606 /nfs/dbraw/zinc/38/46/06/259384606.db2.gz XEZCYTMTYLFPFH-CQSZACIVSA-N 1 0 247.382 3.687 20 0 BHADRO COC1(C[NH2+]CC2(C)CCCC2)CCCCC1 ZINC000319107120 259384680 /nfs/dbraw/zinc/38/46/80/259384680.db2.gz YHJCCJFNFPLWED-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC000319180207 259386461 /nfs/dbraw/zinc/38/64/61/259386461.db2.gz NEYXPNATWBTFSI-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC1(C[NH2+]CC2(OC)CCCCC2)CCC1 ZINC000319206081 385252643 /nfs/dbraw/zinc/25/26/43/385252643.db2.gz QQTGHZOCQZBWFP-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC000319212363 487746405 /nfs/dbraw/zinc/74/64/05/487746405.db2.gz RMEGDGIBTBUBGU-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+][C@H]2CCC[C@H](C)C2)CCCCC1 ZINC000319217790 397887194 /nfs/dbraw/zinc/88/71/94/397887194.db2.gz SIGSSHWLNWWMHT-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCCCC1 ZINC000319217791 397887547 /nfs/dbraw/zinc/88/75/47/397887547.db2.gz SIGSSHWLNWWMHT-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H]2CCC[C@H](C)C2)CCCCC1 ZINC000319217792 397886979 /nfs/dbraw/zinc/88/69/79/397886979.db2.gz SIGSSHWLNWWMHT-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCCCC1 ZINC000319217793 397887441 /nfs/dbraw/zinc/88/74/41/397887441.db2.gz SIGSSHWLNWWMHT-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+]CC2(OC)CCCCC2)CC1 ZINC000319224316 347335758 /nfs/dbraw/zinc/33/57/58/347335758.db2.gz UDEPVZJOWGMKKA-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+][C@H]2CCCC[C@@H]2C)CCCCC1 ZINC000319226100 259310687 /nfs/dbraw/zinc/31/06/87/259310687.db2.gz UKFIGMVGIIKMEL-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@H]2CCCC[C@H]2C)CCCCC1 ZINC000319226101 323084313 /nfs/dbraw/zinc/08/43/13/323084313.db2.gz UKFIGMVGIIKMEL-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H]2CCCC[C@@H]2C)CCCCC1 ZINC000319226102 323084307 /nfs/dbraw/zinc/08/43/07/323084307.db2.gz UKFIGMVGIIKMEL-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H]2CCCC[C@H]2C)CCCCC1 ZINC000319226103 323084353 /nfs/dbraw/zinc/08/43/53/323084353.db2.gz UKFIGMVGIIKMEL-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+]C2CCC(C)CC2)CCCCC1 ZINC000319243945 385276000 /nfs/dbraw/zinc/27/60/00/385276000.db2.gz XCJDMGHMICSWQD-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H]2CCCC2(C)C)CCCCC1 ZINC000319246845 347340442 /nfs/dbraw/zinc/34/04/42/347340442.db2.gz XOVPAJDSYSHHAM-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@H]2CCCC2(C)C)CCCCC1 ZINC000319246847 347340817 /nfs/dbraw/zinc/34/08/17/347340817.db2.gz XOVPAJDSYSHHAM-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+]C2CCCCCC2)CCCCC1 ZINC000319248641 347340826 /nfs/dbraw/zinc/34/08/26/347340826.db2.gz XVOZWAGQHFCFSC-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CCC1(C[NH2+]CC2(OC)CCCC2)CCCC1 ZINC000319307591 259389824 /nfs/dbraw/zinc/38/98/24/259389824.db2.gz LYKSSHZRTUHCLJ-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+]CCCC2CCCC2)CCCC1 ZINC000319344787 385343638 /nfs/dbraw/zinc/34/36/38/385343638.db2.gz RONLSUDBPNLIQS-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCCC1(C[NH2+]CC2(OC)CCCC2)CCC1 ZINC000319356054 385349843 /nfs/dbraw/zinc/34/98/43/385349843.db2.gz VBLXGUPWKQCJLI-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COC1(C[NH2+]CC(C)(C)C(C)(C)C)CCCC1 ZINC000319393983 350265316 /nfs/dbraw/zinc/26/53/16/350265316.db2.gz DVEHBAJJDHXPQD-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO COC1(C[NH2+][C@H]2CC[C@H](C)CC2)CCCCC1 ZINC000319508365 259397111 /nfs/dbraw/zinc/39/71/11/259397111.db2.gz XCJDMGHMICSWQD-HDJSIYSDSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCCC1 ZINC000319539603 259397853 /nfs/dbraw/zinc/39/78/53/259397853.db2.gz BDZAVBXPMQRDQM-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO COC1(C[NH2+][C@H](C)c2cccc(C)c2)CCCC1 ZINC000319539604 259397964 /nfs/dbraw/zinc/39/79/64/259397964.db2.gz BDZAVBXPMQRDQM-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO COC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CCCC1 ZINC000319541038 259397872 /nfs/dbraw/zinc/39/78/72/259397872.db2.gz BHWHQHJMDAJATQ-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO COC1(C[NH2+][C@H](C)c2ccc(C)cc2)CCCC1 ZINC000319541042 259397889 /nfs/dbraw/zinc/39/78/89/259397889.db2.gz BHWHQHJMDAJATQ-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000319598830 259399142 /nfs/dbraw/zinc/39/91/42/259399142.db2.gz VSKXNWAYRGTDBM-HWWQOWPSSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000319598838 259398805 /nfs/dbraw/zinc/39/88/05/259398805.db2.gz VSKXNWAYRGTDBM-MKBNYLNASA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000319598844 259398903 /nfs/dbraw/zinc/39/89/03/259398903.db2.gz VSKXNWAYRGTDBM-MQIPJXDCSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000319598853 259399137 /nfs/dbraw/zinc/39/91/37/259399137.db2.gz VSKXNWAYRGTDBM-OZVIIMIRSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000320365447 711782661 /nfs/dbraw/zinc/78/26/61/711782661.db2.gz DNODVAOQSSMPJC-LLVKDONJSA-N 1 0 240.778 3.664 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000320365448 711782600 /nfs/dbraw/zinc/78/26/00/711782600.db2.gz DNODVAOQSSMPJC-NSHDSACASA-N 1 0 240.778 3.664 20 0 BHADRO CCC[N@H+](Cc1cc(C)nc(Cl)c1)C(C)C ZINC000320372119 643709051 /nfs/dbraw/zinc/70/90/51/643709051.db2.gz FLFLECZKZKRSMO-UHFFFAOYSA-N 1 0 240.778 3.664 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)(C)C)cc(Cl)n1 ZINC000320573165 711935905 /nfs/dbraw/zinc/93/59/05/711935905.db2.gz NQEPNIOCDDYVIX-UHFFFAOYSA-N 1 0 240.778 3.521 20 0 BHADRO Cc1cc(C[N@@H+](C)CCC(C)C)cc(Cl)n1 ZINC000320648167 711785927 /nfs/dbraw/zinc/78/59/27/711785927.db2.gz VFTKQUINXONAHS-UHFFFAOYSA-N 1 0 240.778 3.521 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000320655158 636326089 /nfs/dbraw/zinc/32/60/89/636326089.db2.gz WADUYFXWGXQBEH-UHFFFAOYSA-N 1 0 240.778 3.664 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2C)c(C)o1 ZINC000320869381 386951364 /nfs/dbraw/zinc/95/13/64/386951364.db2.gz FTOQQHPFSAZVED-JTQLQIEISA-N 1 0 233.311 3.649 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2C)c(C)o1 ZINC000320869402 386951540 /nfs/dbraw/zinc/95/15/40/386951540.db2.gz FTOQQHPFSAZVED-SNVBAGLBSA-N 1 0 233.311 3.649 20 0 BHADRO Cc1occc1C[NH2+]CCC(C)(C)C1CC1 ZINC000320959395 323183813 /nfs/dbraw/zinc/18/38/13/323183813.db2.gz AIIKIJVXXBNSER-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000320960471 387816298 /nfs/dbraw/zinc/81/62/98/387816298.db2.gz AIMTVOWLKKVJOU-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000320960475 387817096 /nfs/dbraw/zinc/81/70/96/387817096.db2.gz AIMTVOWLKKVJOU-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)[C@@H]1C[C@@H]1C ZINC000321011485 387927268 /nfs/dbraw/zinc/92/72/68/387927268.db2.gz AATJROLNCXZLHF-BIMULSAOSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)[C@H]1C[C@H]1C ZINC000321011486 387925891 /nfs/dbraw/zinc/92/58/91/387925891.db2.gz AATJROLNCXZLHF-ICCXJUOJSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)[C@@H]1C[C@H]1C ZINC000321011487 387926348 /nfs/dbraw/zinc/92/63/48/387926348.db2.gz AATJROLNCXZLHF-WQAKAFBOSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)[C@H]1C[C@@H]1C ZINC000321011488 387927230 /nfs/dbraw/zinc/92/72/30/387927230.db2.gz AATJROLNCXZLHF-XDTLVQLUSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)[C@H]1C[C@H]1C ZINC000321031801 488125317 /nfs/dbraw/zinc/12/53/17/488125317.db2.gz DAFQXPMMWMKSKX-AAXDQBDMSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)[C@H]1C[C@@H]1C ZINC000321031802 488125291 /nfs/dbraw/zinc/12/52/91/488125291.db2.gz DAFQXPMMWMKSKX-LFSVMHDDSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)[C@@H]1C[C@H]1C ZINC000321031803 488125331 /nfs/dbraw/zinc/12/53/31/488125331.db2.gz DAFQXPMMWMKSKX-WFFHOREQSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)[C@@H]1C[C@@H]1C ZINC000321031805 488125542 /nfs/dbraw/zinc/12/55/42/488125542.db2.gz DAFQXPMMWMKSKX-YGNMPJRFSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1C[C@@H]1C ZINC000321044827 387936141 /nfs/dbraw/zinc/93/61/41/387936141.db2.gz FVQLHFRKKLSZGA-AHLTXXRQSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1C[C@@H]1C ZINC000321044828 387937215 /nfs/dbraw/zinc/93/72/15/387937215.db2.gz FVQLHFRKKLSZGA-DOERSZECSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1C[C@H]1C ZINC000321044830 387936277 /nfs/dbraw/zinc/93/62/77/387936277.db2.gz FVQLHFRKKLSZGA-RUZUBIRVSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1C[C@H]1C ZINC000321044831 259467427 /nfs/dbraw/zinc/46/74/27/259467427.db2.gz FVQLHFRKKLSZGA-VZZFWQQMSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1occc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000321047220 387937299 /nfs/dbraw/zinc/93/72/99/387937299.db2.gz JHCKXZAOQDYJGR-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000321051005 387939904 /nfs/dbraw/zinc/93/99/04/387939904.db2.gz GULQIRWZRZNAOK-AYZDXNEBSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000321051007 387938539 /nfs/dbraw/zinc/93/85/39/387938539.db2.gz GULQIRWZRZNAOK-GMZKHCIJSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000321051008 387939091 /nfs/dbraw/zinc/93/90/91/387939091.db2.gz GULQIRWZRZNAOK-KPHYFBGPSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000321051010 387940065 /nfs/dbraw/zinc/94/00/65/387940065.db2.gz GULQIRWZRZNAOK-OESUJAFSSA-N 1 0 241.444 3.542 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)[C@@H]1C[C@@H]1C ZINC000321078165 387942830 /nfs/dbraw/zinc/94/28/30/387942830.db2.gz LHGKRYVWFIVWLE-BIMULSAOSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)[C@H]1C[C@H]1C ZINC000321078168 387943172 /nfs/dbraw/zinc/94/31/72/387943172.db2.gz LHGKRYVWFIVWLE-ICCXJUOJSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)[C@@H]1C[C@H]1C ZINC000321078170 387943467 /nfs/dbraw/zinc/94/34/67/387943467.db2.gz LHGKRYVWFIVWLE-WQAKAFBOSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)[C@H]1C[C@@H]1C ZINC000321078172 259468337 /nfs/dbraw/zinc/46/83/37/259468337.db2.gz LHGKRYVWFIVWLE-XDTLVQLUSA-N 1 0 223.385 3.581 20 0 BHADRO CSCCCCCC[NH2+]Cc1ccoc1C ZINC000321121241 644070272 /nfs/dbraw/zinc/07/02/72/644070272.db2.gz VZIRHJGTMKQUDJ-UHFFFAOYSA-N 1 0 241.400 3.601 20 0 BHADRO Cc1occc1C[NH2+]CC(C)(C)C1CCC1 ZINC000321147943 259469847 /nfs/dbraw/zinc/46/98/47/259469847.db2.gz YZSPGSSPODSEKZ-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@@H]1C[C@H]1C ZINC000321148761 387951674 /nfs/dbraw/zinc/95/16/74/387951674.db2.gz VZTXAQYDMVIXIE-BSTOTGJRSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H]1C[C@H]1C ZINC000321148764 387951628 /nfs/dbraw/zinc/95/16/28/387951628.db2.gz VZTXAQYDMVIXIE-COMAGPEQSA-N 1 0 239.309 3.660 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccccc1C ZINC000321173876 179321787 /nfs/dbraw/zinc/32/17/87/179321787.db2.gz CWLCPYQPJFSQNI-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccccc1C ZINC000321173877 179338328 /nfs/dbraw/zinc/33/83/28/179338328.db2.gz CWLCPYQPJFSQNI-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)[C@H]1C[C@@H]1C ZINC000321176337 259470337 /nfs/dbraw/zinc/47/03/37/259470337.db2.gz ZAXHKFVLNWOXSY-SRVKXCTJSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)[C@@H]1C[C@@H]1C ZINC000321176338 387956994 /nfs/dbraw/zinc/95/69/94/387956994.db2.gz ZAXHKFVLNWOXSY-TUAOUCFPSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)[C@@H]1C[C@H]1C ZINC000321176339 387956680 /nfs/dbraw/zinc/95/66/80/387956680.db2.gz ZAXHKFVLNWOXSY-UTUOFQBUSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)[C@H]1C[C@H]1C ZINC000321176340 387956864 /nfs/dbraw/zinc/95/68/64/387956864.db2.gz ZAXHKFVLNWOXSY-WOPDTQHZSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000321177683 387956338 /nfs/dbraw/zinc/95/63/38/387956338.db2.gz DKSWQSMWCPGBJC-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000321177686 387957117 /nfs/dbraw/zinc/95/71/17/387957117.db2.gz DKSWQSMWCPGBJC-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1occc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000321212124 262812458 /nfs/dbraw/zinc/81/24/58/262812458.db2.gz IXHKGNSHHPAJCG-UHFFFAOYSA-N 1 0 245.366 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)C1CCCCC1 ZINC000321247056 387057657 /nfs/dbraw/zinc/05/76/57/387057657.db2.gz NVHVRFJGVBBAIJ-LLVKDONJSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000321247057 387057980 /nfs/dbraw/zinc/05/79/80/387057980.db2.gz NVHVRFJGVBBAIJ-NSHDSACASA-N 1 0 221.344 3.646 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)C(C)(C)C ZINC000321254355 259471521 /nfs/dbraw/zinc/47/15/21/259471521.db2.gz OYKBEYBGMQNXPQ-UHFFFAOYSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000321285355 387085958 /nfs/dbraw/zinc/08/59/58/387085958.db2.gz TXJWOBCXZFOSRU-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000321285357 357503379 /nfs/dbraw/zinc/50/33/79/357503379.db2.gz TXJWOBCXZFOSRU-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)cc(Cl)n1 ZINC000321299379 644122910 /nfs/dbraw/zinc/12/29/10/644122910.db2.gz KEGFJIMRMZOIQQ-LLVKDONJSA-N 1 0 240.778 3.520 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)cc(Cl)n1 ZINC000321299381 636619841 /nfs/dbraw/zinc/61/98/41/636619841.db2.gz KEGFJIMRMZOIQQ-NSHDSACASA-N 1 0 240.778 3.520 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000321305534 179196912 /nfs/dbraw/zinc/19/69/12/179196912.db2.gz VZOVSLJVVCGSIM-LBPRGKRZSA-N 1 0 229.323 3.747 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccoc1C ZINC000321305783 387093485 /nfs/dbraw/zinc/09/34/85/387093485.db2.gz WBKOGIFDJQDWMH-UHFFFAOYSA-N 1 0 209.333 3.646 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1ccccc1 ZINC000321328211 262762992 /nfs/dbraw/zinc/76/29/92/262762992.db2.gz YXOAEWXWEDHVRR-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000321332142 636636887 /nfs/dbraw/zinc/63/68/87/636636887.db2.gz PQVDBZUWRWVYMS-UHFFFAOYSA-N 1 0 240.778 3.665 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000321347752 636635716 /nfs/dbraw/zinc/63/57/16/636635716.db2.gz RSUFELTYMADAEN-JTQLQIEISA-N 1 0 240.778 3.521 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000321347756 636635628 /nfs/dbraw/zinc/63/56/28/636635628.db2.gz RSUFELTYMADAEN-SNVBAGLBSA-N 1 0 240.778 3.521 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1C[C@@H]1C ZINC000321349035 387127375 /nfs/dbraw/zinc/12/73/75/387127375.db2.gz BOUNQVADARAHOA-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1C[C@H]1C ZINC000321349037 387127043 /nfs/dbraw/zinc/12/70/43/387127043.db2.gz BOUNQVADARAHOA-JLLWLGSASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1C[C@H]1C ZINC000321349039 387125968 /nfs/dbraw/zinc/12/59/68/387125968.db2.gz BOUNQVADARAHOA-USWWRNFRSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1C[C@@H]1C ZINC000321349041 387125749 /nfs/dbraw/zinc/12/57/49/387125749.db2.gz BOUNQVADARAHOA-WCQGTBRESA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccco1)[C@@H]1C[C@H]1C ZINC000321361260 387135982 /nfs/dbraw/zinc/13/59/82/387135982.db2.gz CXYGTMLVTNAPMU-GBOPCIDUSA-N 1 0 235.371 3.625 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccco1)[C@@H]1C[C@@H]1C ZINC000321361262 387137067 /nfs/dbraw/zinc/13/70/67/387137067.db2.gz CXYGTMLVTNAPMU-MXYBEHONSA-N 1 0 235.371 3.625 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccco1)[C@H]1C[C@@H]1C ZINC000321361264 387136382 /nfs/dbraw/zinc/13/63/82/387136382.db2.gz CXYGTMLVTNAPMU-NEBZKDRISA-N 1 0 235.371 3.625 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccco1)[C@H]1C[C@H]1C ZINC000321361266 387137411 /nfs/dbraw/zinc/13/74/11/387137411.db2.gz CXYGTMLVTNAPMU-UXOAXIEHSA-N 1 0 235.371 3.625 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C)nc(Cl)c1 ZINC000321396552 644128680 /nfs/dbraw/zinc/12/86/80/644128680.db2.gz YYNSHNQFAKLSIU-UHFFFAOYSA-N 1 0 240.778 3.665 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000321457113 259473573 /nfs/dbraw/zinc/47/35/73/259473573.db2.gz BXKLRLBLVUHCBY-JTQLQIEISA-N 1 0 249.379 3.679 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000321457115 387208982 /nfs/dbraw/zinc/20/89/82/387208982.db2.gz BXKLRLBLVUHCBY-SNVBAGLBSA-N 1 0 249.379 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1C[C@H]1C ZINC000321465981 387229314 /nfs/dbraw/zinc/22/93/14/387229314.db2.gz HJYGMJFLXYNKRH-CHWFTXMASA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1C[C@@H]1C ZINC000321465984 387228395 /nfs/dbraw/zinc/22/83/95/387228395.db2.gz HJYGMJFLXYNKRH-VLEAKVRGSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1C[C@H]1C ZINC000321465985 387229774 /nfs/dbraw/zinc/22/97/74/387229774.db2.gz HJYGMJFLXYNKRH-ZNSHCXBVSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1C[C@@H]1C ZINC000321465988 387228952 /nfs/dbraw/zinc/22/89/52/387228952.db2.gz HJYGMJFLXYNKRH-ZRUFSTJUSA-N 1 0 239.309 3.660 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000321476580 387246614 /nfs/dbraw/zinc/24/66/14/387246614.db2.gz ILLVWOXQYYJVHG-CYBMUJFWSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000321476587 180542273 /nfs/dbraw/zinc/54/22/73/180542273.db2.gz ILLVWOXQYYJVHG-ZDUSSCGKSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CC(C)(C)C ZINC000321479192 518194382 /nfs/dbraw/zinc/19/43/82/518194382.db2.gz IRECIKYWIAQAFH-JTQLQIEISA-N 1 0 209.333 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CC(C)(C)C ZINC000321479193 387249524 /nfs/dbraw/zinc/24/95/24/387249524.db2.gz IRECIKYWIAQAFH-SNVBAGLBSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1occc1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000321487203 387231916 /nfs/dbraw/zinc/23/19/16/387231916.db2.gz JUEUFKHABHOAJN-CYBMUJFWSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1occc1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000321487206 387233525 /nfs/dbraw/zinc/23/35/25/387233525.db2.gz JUEUFKHABHOAJN-ZDUSSCGKSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1occc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000321487826 387265061 /nfs/dbraw/zinc/26/50/61/387265061.db2.gz FUIJTIGVLHWCCA-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1C[C@H]1C ZINC000321488429 259475003 /nfs/dbraw/zinc/47/50/03/259475003.db2.gz JVWYPBSLFOBLSN-AAXDQBDMSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1C[C@H]1C ZINC000321488431 387265428 /nfs/dbraw/zinc/26/54/28/387265428.db2.gz JVWYPBSLFOBLSN-RSLMWUCJSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1C[C@H]1C ZINC000321488433 387265110 /nfs/dbraw/zinc/26/51/10/387265110.db2.gz JVWYPBSLFOBLSN-URBCHYCLSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1C[C@H]1C ZINC000321488435 387267099 /nfs/dbraw/zinc/26/70/99/387267099.db2.gz JVWYPBSLFOBLSN-VCDKRKBESA-N 1 0 235.396 3.760 20 0 BHADRO Cc1occc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000321500661 387264850 /nfs/dbraw/zinc/26/48/50/387264850.db2.gz HABQOLKOCRUDMH-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1occc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000321500665 387266444 /nfs/dbraw/zinc/26/64/44/387266444.db2.gz HABQOLKOCRUDMH-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1C[C@H]1C ZINC000321505065 387267686 /nfs/dbraw/zinc/26/76/86/387267686.db2.gz HIOSWEUTDGSGGM-GRYCIOLGSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1C[C@H]1C ZINC000321505070 387268452 /nfs/dbraw/zinc/26/84/52/387268452.db2.gz HIOSWEUTDGSGGM-IJLUTSLNSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1C[C@H]1C ZINC000321505076 387267806 /nfs/dbraw/zinc/26/78/06/387267806.db2.gz HIOSWEUTDGSGGM-UTUOFQBUSA-N 1 0 237.412 3.660 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1C[C@H]1C ZINC000321505082 387267563 /nfs/dbraw/zinc/26/75/63/387267563.db2.gz HIOSWEUTDGSGGM-WOPDTQHZSA-N 1 0 237.412 3.660 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000321505873 387268381 /nfs/dbraw/zinc/26/83/81/387268381.db2.gz MEOBOLDTDCDNQP-GFCCVEGCSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000321505874 387268025 /nfs/dbraw/zinc/26/80/25/387268025.db2.gz MEOBOLDTDCDNQP-LBPRGKRZSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)c(C)o1 ZINC000321516684 387269440 /nfs/dbraw/zinc/26/94/40/387269440.db2.gz NMHNAANOHGLCFN-GMTLJSCSSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)c(C)o1 ZINC000321516686 387270703 /nfs/dbraw/zinc/27/07/03/387270703.db2.gz NMHNAANOHGLCFN-GOONRYMUSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)c(C)o1 ZINC000321516688 387270278 /nfs/dbraw/zinc/27/02/78/387270278.db2.gz NMHNAANOHGLCFN-UIMWLRQOSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)c(C)o1 ZINC000321516689 259475284 /nfs/dbraw/zinc/47/52/84/259475284.db2.gz NMHNAANOHGLCFN-UKKREREHSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000321569805 387278128 /nfs/dbraw/zinc/27/81/28/387278128.db2.gz NMTLUSUPYMPBNB-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCc2sccc21 ZINC000321569806 387277490 /nfs/dbraw/zinc/27/74/90/387277490.db2.gz NMTLUSUPYMPBNB-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000321575915 387278929 /nfs/dbraw/zinc/27/89/29/387278929.db2.gz NZSLNWLKRPDBTR-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000321575918 387278847 /nfs/dbraw/zinc/27/88/47/387278847.db2.gz NZSLNWLKRPDBTR-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000321584004 179181775 /nfs/dbraw/zinc/18/17/75/179181775.db2.gz VZOVSLJVVCGSIM-GFCCVEGCSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1cccs1 ZINC000321597758 357627126 /nfs/dbraw/zinc/62/71/26/357627126.db2.gz XNVSONOHDKSQPO-SECBINFHSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1cccs1 ZINC000321597760 387280970 /nfs/dbraw/zinc/28/09/70/387280970.db2.gz XNVSONOHDKSQPO-VIFPVBQESA-N 1 0 221.325 3.500 20 0 BHADRO Cc1occc1C[NH2+]CCC1=CCCCC1 ZINC000321599623 387281125 /nfs/dbraw/zinc/28/11/25/387281125.db2.gz XTWAENFLRWMYLV-UHFFFAOYSA-N 1 0 219.328 3.568 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000321607762 541387857 /nfs/dbraw/zinc/38/78/57/541387857.db2.gz QRXOODFTZDFMEM-JTQLQIEISA-N 1 0 233.286 3.578 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000321607763 541388081 /nfs/dbraw/zinc/38/80/81/541388081.db2.gz QRXOODFTZDFMEM-SNVBAGLBSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)s1 ZINC000321611586 387285524 /nfs/dbraw/zinc/28/55/24/387285524.db2.gz RDLUEIBTWUNYCA-BQSGVUBFSA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)s1 ZINC000321611588 387285819 /nfs/dbraw/zinc/28/58/19/387285819.db2.gz RDLUEIBTWUNYCA-IQOUGMIPSA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)s1 ZINC000321611590 387285281 /nfs/dbraw/zinc/28/52/81/387285281.db2.gz RDLUEIBTWUNYCA-JCRCQARHSA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)s1 ZINC000321611592 387285646 /nfs/dbraw/zinc/28/56/46/387285646.db2.gz RDLUEIBTWUNYCA-XVMOGABASA-N 1 0 237.412 3.622 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)Cc1ccccc1C ZINC000321612806 179288640 /nfs/dbraw/zinc/28/86/40/179288640.db2.gz REXZUZSGBNQOTL-CYBMUJFWSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)Cc1ccccc1C ZINC000321612809 179290627 /nfs/dbraw/zinc/29/06/27/179290627.db2.gz REXZUZSGBNQOTL-ZDUSSCGKSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1occc1C[NH2+]CC(C)(C)c1cccs1 ZINC000321612915 259475922 /nfs/dbraw/zinc/47/59/22/259475922.db2.gz RGACXNNVSGTUBL-UHFFFAOYSA-N 1 0 249.379 3.717 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccoc1C ZINC000321648009 387289603 /nfs/dbraw/zinc/28/96/03/387289603.db2.gz VIMWVZLYMOVVTN-GHMZBOCLSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccoc1C ZINC000321648012 387289486 /nfs/dbraw/zinc/28/94/86/387289486.db2.gz VIMWVZLYMOVVTN-MNOVXSKESA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccoc1C ZINC000321648014 387289901 /nfs/dbraw/zinc/28/99/01/387289901.db2.gz VIMWVZLYMOVVTN-QWRGUYRKSA-N 1 0 209.333 3.502 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccoc1C ZINC000321648018 259476719 /nfs/dbraw/zinc/47/67/19/259476719.db2.gz VIMWVZLYMOVVTN-WDEREUQCSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000321656475 537859046 /nfs/dbraw/zinc/85/90/46/537859046.db2.gz WGFWMNXCXWMBGJ-SNVBAGLBSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1occc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000321666760 387292074 /nfs/dbraw/zinc/29/20/74/387292074.db2.gz XFAPTQGZZAXVKI-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1C[C@@H]1C ZINC000321751537 259478630 /nfs/dbraw/zinc/47/86/30/259478630.db2.gz AZQLOFZICXKLMJ-CYDGBPFRSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1C[C@@H]1C ZINC000321751540 259478743 /nfs/dbraw/zinc/47/87/43/259478743.db2.gz AZQLOFZICXKLMJ-RVMXOQNASA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1C[C@H]1C ZINC000321751542 387299243 /nfs/dbraw/zinc/29/92/43/387299243.db2.gz AZQLOFZICXKLMJ-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1C[C@H]1C ZINC000321751545 387298505 /nfs/dbraw/zinc/29/85/05/387298505.db2.gz AZQLOFZICXKLMJ-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccs1)[C@@H]1C[C@H]1C ZINC000321776163 387303416 /nfs/dbraw/zinc/30/34/16/387303416.db2.gz GHRBJCAXPBXKPS-OXHZDVMGSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccs1)[C@H]1C[C@H]1C ZINC000321776164 259480154 /nfs/dbraw/zinc/48/01/54/259480154.db2.gz GHRBJCAXPBXKPS-RFHZTLPTSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccs1)[C@@H]1C[C@@H]1C ZINC000321776165 387303594 /nfs/dbraw/zinc/30/35/94/387303594.db2.gz GHRBJCAXPBXKPS-UNJBNNCHSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccs1)[C@H]1C[C@@H]1C ZINC000321776166 387303183 /nfs/dbraw/zinc/30/31/83/387303183.db2.gz GHRBJCAXPBXKPS-XCCSTKFXSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)[C@H]1C[C@H]1C ZINC000321881160 387310393 /nfs/dbraw/zinc/31/03/93/387310393.db2.gz JIGRXVKRLTVAIR-AGIUHOORSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)[C@H]1C[C@@H]1C ZINC000321881172 387310338 /nfs/dbraw/zinc/31/03/38/387310338.db2.gz JIGRXVKRLTVAIR-AVGNSLFASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)[C@@H]1C[C@H]1C ZINC000321881186 387310423 /nfs/dbraw/zinc/31/04/23/387310423.db2.gz JIGRXVKRLTVAIR-UPJWGTAASA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)[C@@H]1C[C@@H]1C ZINC000321881205 387310217 /nfs/dbraw/zinc/31/02/17/387310217.db2.gz JIGRXVKRLTVAIR-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000321905688 387315443 /nfs/dbraw/zinc/31/54/43/387315443.db2.gz ONJSHFZIBQUPBQ-MROQNXINSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000321905689 387315562 /nfs/dbraw/zinc/31/55/62/387315562.db2.gz ONJSHFZIBQUPBQ-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000321905691 259481916 /nfs/dbraw/zinc/48/19/16/259481916.db2.gz ONJSHFZIBQUPBQ-YVECIDJPSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000321905692 387315100 /nfs/dbraw/zinc/31/51/00/387315100.db2.gz ONJSHFZIBQUPBQ-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@@H]1C[C@H]1C ZINC000321914278 343633331 /nfs/dbraw/zinc/63/33/31/343633331.db2.gz QDRBDJVKNSCLPC-OXHZDVMGSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H]1C[C@H]1C ZINC000321914282 343633319 /nfs/dbraw/zinc/63/33/19/343633319.db2.gz QDRBDJVKNSCLPC-RFHZTLPTSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@@H]1C[C@@H]1C ZINC000321914283 343633060 /nfs/dbraw/zinc/63/30/60/343633060.db2.gz QDRBDJVKNSCLPC-UNJBNNCHSA-N 1 0 237.412 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H]1C[C@@H]1C ZINC000321914287 343633224 /nfs/dbraw/zinc/63/32/24/343633224.db2.gz QDRBDJVKNSCLPC-XCCSTKFXSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1C[C@H]1C ZINC000321982529 490313324 /nfs/dbraw/zinc/31/33/24/490313324.db2.gz CRUWGBRLRHXDPC-WTPMCQDGSA-N 1 0 249.320 3.742 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)[C@@H]1C[C@H]1C)SC ZINC000322005466 636792353 /nfs/dbraw/zinc/79/23/53/636792353.db2.gz HOZDUBPPZWPRMZ-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)SC ZINC000322005469 636791249 /nfs/dbraw/zinc/79/12/49/636791249.db2.gz HOZDUBPPZWPRMZ-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)[C@H]1C[C@@H]1C)SC ZINC000322005471 636791680 /nfs/dbraw/zinc/79/16/80/636791680.db2.gz HOZDUBPPZWPRMZ-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)[C@H]1C[C@H]1C)SC ZINC000322005474 636791382 /nfs/dbraw/zinc/79/13/82/636791382.db2.gz HOZDUBPPZWPRMZ-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1C[C@H]1C ZINC000322006485 387350461 /nfs/dbraw/zinc/35/04/61/387350461.db2.gz HSXVSDVBAQJAQR-FXPVBKGRSA-N 1 0 243.803 3.578 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1C[C@H]1C ZINC000322006486 259483322 /nfs/dbraw/zinc/48/33/22/259483322.db2.gz HSXVSDVBAQJAQR-KKZNHRDASA-N 1 0 243.803 3.578 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1C[C@H]1C ZINC000322006488 387349563 /nfs/dbraw/zinc/34/95/63/387349563.db2.gz HSXVSDVBAQJAQR-WCABBAIRSA-N 1 0 243.803 3.578 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1C[C@H]1C ZINC000322006489 387350381 /nfs/dbraw/zinc/35/03/81/387350381.db2.gz HSXVSDVBAQJAQR-YWVKMMECSA-N 1 0 243.803 3.578 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)[C@H]1C[C@H]1C ZINC000322028318 262815905 /nfs/dbraw/zinc/81/59/05/262815905.db2.gz LPROWQOEUCTRTQ-MHDGFBEUSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)[C@H]1C[C@H]1C ZINC000322028321 387856095 /nfs/dbraw/zinc/85/60/95/387856095.db2.gz LPROWQOEUCTRTQ-RFHZTLPTSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@H]1C[C@H]1C ZINC000322028323 387856360 /nfs/dbraw/zinc/85/63/60/387856360.db2.gz LPROWQOEUCTRTQ-UVLXDEKHSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@H]1C[C@H]1C ZINC000322028326 387855525 /nfs/dbraw/zinc/85/55/25/387855525.db2.gz LPROWQOEUCTRTQ-XWUBHJNHSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1C[C@H]1C ZINC000322047824 387014966 /nfs/dbraw/zinc/01/49/66/387014966.db2.gz AKBGSPQMQGYUON-KHQFGBGNSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1C[C@H]1C ZINC000322047828 387868172 /nfs/dbraw/zinc/86/81/72/387868172.db2.gz AKBGSPQMQGYUON-MRTMQBJTSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1C[C@H]1C ZINC000322047831 387867890 /nfs/dbraw/zinc/86/78/90/387867890.db2.gz AKBGSPQMQGYUON-NQMVMOMDSA-N 1 0 229.776 3.536 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1C[C@H]1C ZINC000322047833 259488327 /nfs/dbraw/zinc/48/83/27/259488327.db2.gz AKBGSPQMQGYUON-WEDXCCLWSA-N 1 0 229.776 3.536 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322104107 636798031 /nfs/dbraw/zinc/79/80/31/636798031.db2.gz YYYQXXYVDXZPQH-JHJVBQTASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322104109 636798111 /nfs/dbraw/zinc/79/81/11/636798111.db2.gz YYYQXXYVDXZPQH-UPJWGTAASA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322104111 636797361 /nfs/dbraw/zinc/79/73/61/636797361.db2.gz YYYQXXYVDXZPQH-XQQFMLRXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322104112 636797034 /nfs/dbraw/zinc/79/70/34/636797034.db2.gz YYYQXXYVDXZPQH-YNEHKIRRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)[C@H]1C[C@@H]1C ZINC000322107244 387895481 /nfs/dbraw/zinc/89/54/81/387895481.db2.gz ZPTZBSKGQMCNEA-DRZSPHRISA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)[C@@H]1C[C@H]1C ZINC000322107246 387895961 /nfs/dbraw/zinc/89/59/61/387895961.db2.gz ZPTZBSKGQMCNEA-RTXFEEFZSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)[C@@H]1C[C@@H]1C ZINC000322107249 387894542 /nfs/dbraw/zinc/89/45/42/387894542.db2.gz ZPTZBSKGQMCNEA-UHTWSYAYSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)[C@H]1C[C@H]1C ZINC000322107251 387894941 /nfs/dbraw/zinc/89/49/41/387894941.db2.gz ZPTZBSKGQMCNEA-WXHSDQCUSA-N 1 0 223.385 3.581 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1cccs1 ZINC000322120495 387915350 /nfs/dbraw/zinc/91/53/50/387915350.db2.gz CFGAADNEGZHDBW-KKOKHZNYSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1cccs1 ZINC000322120496 387917071 /nfs/dbraw/zinc/91/70/71/387917071.db2.gz CFGAADNEGZHDBW-QCNOEVLYSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)c1cccs1 ZINC000322120497 387916645 /nfs/dbraw/zinc/91/66/45/387916645.db2.gz CFGAADNEGZHDBW-USZNOCQGSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1cccs1 ZINC000322120498 387915339 /nfs/dbraw/zinc/91/53/39/387915339.db2.gz CFGAADNEGZHDBW-WYUUTHIRSA-N 1 0 223.385 3.833 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC000322224030 386048935 /nfs/dbraw/zinc/04/89/35/386048935.db2.gz BBOXSONWRBBDNS-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC000322224031 386048622 /nfs/dbraw/zinc/04/86/22/386048622.db2.gz BBOXSONWRBBDNS-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscc1C)C1CCC1 ZINC000322253157 388429178 /nfs/dbraw/zinc/42/91/78/388429178.db2.gz DSWHEDIATJQIFQ-CYBMUJFWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)C1CCC1 ZINC000322253159 388429366 /nfs/dbraw/zinc/42/93/66/388429366.db2.gz DSWHEDIATJQIFQ-ZDUSSCGKSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+]CCC1=CCCC1)C1CCC1 ZINC000322261185 388429286 /nfs/dbraw/zinc/42/92/86/388429286.db2.gz HFDITLOKTSFMPZ-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H]([NH2+]CCC1=CCCC1)C1CCC1 ZINC000322261186 388429533 /nfs/dbraw/zinc/42/95/33/388429533.db2.gz HFDITLOKTSFMPZ-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@@H]([NH2+]Cc1sccc1C)C1CCC1 ZINC000322274619 388429311 /nfs/dbraw/zinc/42/93/11/388429311.db2.gz LQDUWGRILXVJFT-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)C1CCC1 ZINC000322274620 388429912 /nfs/dbraw/zinc/42/99/12/388429912.db2.gz LQDUWGRILXVJFT-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(COC)c1)C1CCC1 ZINC000322288274 388430548 /nfs/dbraw/zinc/43/05/48/388430548.db2.gz PZSRJYUDLRLRAN-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(COC)c1)C1CCC1 ZINC000322288276 388430264 /nfs/dbraw/zinc/43/02/64/388430264.db2.gz PZSRJYUDLRLRAN-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCC1 ZINC000322288689 259704188 /nfs/dbraw/zinc/70/41/88/259704188.db2.gz QGMPLDYGOPGTBR-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCC1 ZINC000322288691 388430622 /nfs/dbraw/zinc/43/06/22/388430622.db2.gz QGMPLDYGOPGTBR-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCC1 ZINC000322288692 388430721 /nfs/dbraw/zinc/43/07/21/388430721.db2.gz QGMPLDYGOPGTBR-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCC1 ZINC000322288694 388430189 /nfs/dbraw/zinc/43/01/89/388430189.db2.gz QGMPLDYGOPGTBR-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+]CCC1(OC)CCC1)C1CCC1 ZINC000322302251 388430440 /nfs/dbraw/zinc/43/04/40/388430440.db2.gz VBYOUFCPVDMHAK-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]CCC1(OC)CCC1)C1CCC1 ZINC000322302252 388430606 /nfs/dbraw/zinc/43/06/06/388430606.db2.gz VBYOUFCPVDMHAK-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1COC)C1CCC1 ZINC000322304575 388431294 /nfs/dbraw/zinc/43/12/94/388431294.db2.gz VXEQIBWAEKUOBO-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1COC)C1CCC1 ZINC000322304577 386157638 /nfs/dbraw/zinc/15/76/38/386157638.db2.gz VXEQIBWAEKUOBO-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC000322312831 388431383 /nfs/dbraw/zinc/43/13/83/388431383.db2.gz ZGGYZKLLLOXKDJ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC000322312832 259704621 /nfs/dbraw/zinc/70/46/21/259704621.db2.gz ZGGYZKLLLOXKDJ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC000322312833 388431368 /nfs/dbraw/zinc/43/13/68/388431368.db2.gz ZGGYZKLLLOXKDJ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC000322312834 388431389 /nfs/dbraw/zinc/43/13/89/388431389.db2.gz ZGGYZKLLLOXKDJ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1C[C@H]1C ZINC000322322660 259422048 /nfs/dbraw/zinc/42/20/48/259422048.db2.gz IFIHUIBKKYXQIS-BZPMIXESSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1C[C@H]1C ZINC000322322661 386513386 /nfs/dbraw/zinc/51/33/86/386513386.db2.gz IFIHUIBKKYXQIS-DYEKYZERSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1C[C@H]1C ZINC000322322662 386513919 /nfs/dbraw/zinc/51/39/19/386513919.db2.gz IFIHUIBKKYXQIS-MBNYWOFBSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1C[C@H]1C ZINC000322322663 386513182 /nfs/dbraw/zinc/51/31/82/386513182.db2.gz IFIHUIBKKYXQIS-YRGRVCCFSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)[C@H]1C[C@H]1C ZINC000322330294 388431195 /nfs/dbraw/zinc/43/11/95/388431195.db2.gz MZXMKIDUHYASQR-DGTMBMJNSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)[C@H]1C[C@@H]1C ZINC000322330295 388431087 /nfs/dbraw/zinc/43/10/87/388431087.db2.gz MZXMKIDUHYASQR-NDKCEZKHSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)[C@@H]1C[C@H]1C ZINC000322330296 388431319 /nfs/dbraw/zinc/43/13/19/388431319.db2.gz MZXMKIDUHYASQR-RGDJUOJXSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)[C@@H]1C[C@@H]1C ZINC000322330297 388431497 /nfs/dbraw/zinc/43/14/97/388431497.db2.gz MZXMKIDUHYASQR-VJTDZRGJSA-N 1 0 241.444 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371861 388433308 /nfs/dbraw/zinc/43/33/08/388433308.db2.gz JQHQEPSSYVEPPP-AAEUAGOBSA-N 1 0 236.359 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371862 388433235 /nfs/dbraw/zinc/43/32/35/388433235.db2.gz JQHQEPSSYVEPPP-DGCLKSJQSA-N 1 0 236.359 3.602 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371863 259705664 /nfs/dbraw/zinc/70/56/64/259705664.db2.gz JQHQEPSSYVEPPP-WCQYABFASA-N 1 0 236.359 3.602 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371864 388433651 /nfs/dbraw/zinc/43/36/51/388433651.db2.gz JQHQEPSSYVEPPP-YPMHNXCESA-N 1 0 236.359 3.602 20 0 BHADRO CCC[C@H]([NH2+]CC1CCSCC1)C1CCC1 ZINC000322379503 259705565 /nfs/dbraw/zinc/70/55/65/259705565.db2.gz LHQGNDOCKAGEBX-AWEZNQCLSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCSCC1)C1CCC1 ZINC000322379505 388433599 /nfs/dbraw/zinc/43/35/99/388433599.db2.gz LHQGNDOCKAGEBX-CQSZACIVSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nc(C)cs1)C1CCC1 ZINC000322388743 388433260 /nfs/dbraw/zinc/43/32/60/388433260.db2.gz NWGLAJRXSOASTR-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]Cc1nc(C)cs1)C1CCC1 ZINC000322388744 388433102 /nfs/dbraw/zinc/43/31/02/388433102.db2.gz NWGLAJRXSOASTR-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CCOC)C1CCC1 ZINC000322395539 259335489 /nfs/dbraw/zinc/33/54/89/259335489.db2.gz QARTYMGWSBHNNE-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CCOC)C1CCC1 ZINC000322395540 259335421 /nfs/dbraw/zinc/33/54/21/259335421.db2.gz QARTYMGWSBHNNE-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(C)s1)C1CCC1 ZINC000322397456 259706485 /nfs/dbraw/zinc/70/64/85/259706485.db2.gz QRKLVNNJXOIIJG-CYBMUJFWSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(C)s1)C1CCC1 ZINC000322397457 259337296 /nfs/dbraw/zinc/33/72/96/259337296.db2.gz QRKLVNNJXOIIJG-ZDUSSCGKSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@@H]([NH2+]Cc1csc(C)n1)C1CCC1 ZINC000322402174 388434333 /nfs/dbraw/zinc/43/43/33/388434333.db2.gz SLIYLINSNRFLPK-CYBMUJFWSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]Cc1csc(C)n1)C1CCC1 ZINC000322402175 388434145 /nfs/dbraw/zinc/43/41/45/388434145.db2.gz SLIYLINSNRFLPK-ZDUSSCGKSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncc(C)s1)C1CCC1 ZINC000322411957 388434437 /nfs/dbraw/zinc/43/44/37/388434437.db2.gz WJYRFLSRTJFRHP-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncc(C)s1)C1CCC1 ZINC000322411958 388434304 /nfs/dbraw/zinc/43/43/04/388434304.db2.gz WJYRFLSRTJFRHP-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@@H]([NH2+]Cc1scnc1C)C1CCC1 ZINC000322415176 259707148 /nfs/dbraw/zinc/70/71/48/259707148.db2.gz XGVXTAHFWSMKBU-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+]Cc1scnc1C)C1CCC1 ZINC000322415178 388434165 /nfs/dbraw/zinc/43/41/65/388434165.db2.gz XGVXTAHFWSMKBU-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)C1CCC1 ZINC000322419709 636863414 /nfs/dbraw/zinc/86/34/14/636863414.db2.gz YRFKHVQKNFXVSF-IHRRRGAJSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)C1CCC1 ZINC000322419711 636862461 /nfs/dbraw/zinc/86/24/61/636862461.db2.gz YRFKHVQKNFXVSF-MCIONIFRSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)C1CCC1 ZINC000322419713 636863926 /nfs/dbraw/zinc/86/39/26/636863926.db2.gz YRFKHVQKNFXVSF-MJBXVCDLSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)C1CCC1 ZINC000322419715 636863139 /nfs/dbraw/zinc/86/31/39/636863139.db2.gz YRFKHVQKNFXVSF-RDBSUJKOSA-N 1 0 241.444 3.829 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC=CCC1)C1CCC1 ZINC000322470646 388435031 /nfs/dbraw/zinc/43/50/31/388435031.db2.gz OGYYJHWOEQEGFG-KBPBESRZSA-N 1 0 207.361 3.654 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC=CCC1)C1CCC1 ZINC000322470655 388435171 /nfs/dbraw/zinc/43/51/71/388435171.db2.gz OGYYJHWOEQEGFG-KGLIPLIRSA-N 1 0 207.361 3.654 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC=CCC1)C1CCC1 ZINC000322470665 259707455 /nfs/dbraw/zinc/70/74/55/259707455.db2.gz OGYYJHWOEQEGFG-UONOGXRCSA-N 1 0 207.361 3.654 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC=CCC1)C1CCC1 ZINC000322470674 388435008 /nfs/dbraw/zinc/43/50/08/388435008.db2.gz OGYYJHWOEQEGFG-ZIAGYGMSSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H](c1ccccc1)C1CC1)OC ZINC000322511234 259708799 /nfs/dbraw/zinc/70/87/99/259708799.db2.gz IXMYHMFGDVHWQI-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H](c1ccccc1)C1CC1)OC ZINC000322511236 259708369 /nfs/dbraw/zinc/70/83/69/259708369.db2.gz IXMYHMFGDVHWQI-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](c1ccccc1)C1CC1)OC ZINC000322511238 388437171 /nfs/dbraw/zinc/43/71/71/388437171.db2.gz IXMYHMFGDVHWQI-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](c1ccccc1)C1CC1)OC ZINC000322511240 259708620 /nfs/dbraw/zinc/70/86/20/259708620.db2.gz IXMYHMFGDVHWQI-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)s1)OC ZINC000322513091 259708843 /nfs/dbraw/zinc/70/88/43/259708843.db2.gz AUVRVWSPDOGNDI-AAEUAGOBSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(C)s1)OC ZINC000322513093 388436951 /nfs/dbraw/zinc/43/69/51/388436951.db2.gz AUVRVWSPDOGNDI-DGCLKSJQSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(C)s1)OC ZINC000322513094 388437222 /nfs/dbraw/zinc/43/72/22/388437222.db2.gz AUVRVWSPDOGNDI-WCQYABFASA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(C)s1)OC ZINC000322513095 259708860 /nfs/dbraw/zinc/70/88/60/259708860.db2.gz AUVRVWSPDOGNDI-YPMHNXCESA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H]1CCCC12CCCC2)OC ZINC000322518378 388436848 /nfs/dbraw/zinc/43/68/48/388436848.db2.gz KYHROEUTSOEHKQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H]1CCCC12CCCC2)OC ZINC000322518379 388437214 /nfs/dbraw/zinc/43/72/14/388437214.db2.gz KYHROEUTSOEHKQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@](C)(C[NH2+][C@H]1CCCC12CCCC2)OC ZINC000322518380 259708413 /nfs/dbraw/zinc/70/84/13/259708413.db2.gz KYHROEUTSOEHKQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H]1CCCC12CCCC2)OC ZINC000322518381 388437443 /nfs/dbraw/zinc/43/74/43/388437443.db2.gz KYHROEUTSOEHKQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H](CC)C2CCC2)CCCC1 ZINC000322527982 388438378 /nfs/dbraw/zinc/43/83/78/388438378.db2.gz LJILWHZAWQKHBX-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H](CC)C2CCC2)CCCC1 ZINC000322527983 388437962 /nfs/dbraw/zinc/43/79/62/388437962.db2.gz LJILWHZAWQKHBX-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)c2ccccc21)OC ZINC000322529319 259709336 /nfs/dbraw/zinc/70/93/36/259709336.db2.gz PBZPIMJNCMZMRA-APHBMKBZSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)c2ccccc21)OC ZINC000322529320 259709343 /nfs/dbraw/zinc/70/93/43/259709343.db2.gz PBZPIMJNCMZMRA-DAXOMENPSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)c2ccccc21)OC ZINC000322529321 388437936 /nfs/dbraw/zinc/43/79/36/388437936.db2.gz PBZPIMJNCMZMRA-UHOFOFEASA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@](C)(C[NH2+][C@H]1C[C@H](C)c2ccccc21)OC ZINC000322529322 323385339 /nfs/dbraw/zinc/38/53/39/323385339.db2.gz PBZPIMJNCMZMRA-VBNZEHGJSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cccnc1)C1CCC1 ZINC000322535339 388437850 /nfs/dbraw/zinc/43/78/50/388437850.db2.gz NINOEJJDGHNXBV-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cccnc1)C1CCC1 ZINC000322535347 388437673 /nfs/dbraw/zinc/43/76/73/388437673.db2.gz NINOEJJDGHNXBV-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)C1CCC1 ZINC000322535354 388437650 /nfs/dbraw/zinc/43/76/50/388437650.db2.gz NINOEJJDGHNXBV-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cccnc1)C1CCC1 ZINC000322535361 388438340 /nfs/dbraw/zinc/43/83/40/388438340.db2.gz NINOEJJDGHNXBV-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H](C)c1csc(C)c1)OC ZINC000322545024 259709788 /nfs/dbraw/zinc/70/97/88/259709788.db2.gz UIQIWRVCCOMOGO-AAEUAGOBSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)c1csc(C)c1)OC ZINC000322545026 259709693 /nfs/dbraw/zinc/70/96/93/259709693.db2.gz UIQIWRVCCOMOGO-DGCLKSJQSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)c1csc(C)c1)OC ZINC000322545027 259709633 /nfs/dbraw/zinc/70/96/33/259709633.db2.gz UIQIWRVCCOMOGO-WCQYABFASA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H](C)c1csc(C)c1)OC ZINC000322545028 388438009 /nfs/dbraw/zinc/43/80/09/388438009.db2.gz UIQIWRVCCOMOGO-YPMHNXCESA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@H](Nc1ccc(C[NH+](C)C)cc1)C1CCC1 ZINC000322551782 388438856 /nfs/dbraw/zinc/43/88/56/388438856.db2.gz QBLSTFVQJFONDC-INIZCTEOSA-N 1 0 246.398 3.739 20 0 BHADRO CC[C@@H](Nc1ccc(C[NH+](C)C)cc1)C1CCC1 ZINC000322551783 388438625 /nfs/dbraw/zinc/43/86/25/388438625.db2.gz QBLSTFVQJFONDC-MRXNPFEDSA-N 1 0 246.398 3.739 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccccn1)C1CCC1 ZINC000322552596 259709697 /nfs/dbraw/zinc/70/96/97/259709697.db2.gz QBRMXYIIBKTYKZ-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ccccn1)C1CCC1 ZINC000322552597 388439263 /nfs/dbraw/zinc/43/92/63/388439263.db2.gz QBRMXYIIBKTYKZ-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccccn1)C1CCC1 ZINC000322552599 388438901 /nfs/dbraw/zinc/43/89/01/388438901.db2.gz QBRMXYIIBKTYKZ-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccccn1)C1CCC1 ZINC000322552601 259709902 /nfs/dbraw/zinc/70/99/02/259709902.db2.gz QBRMXYIIBKTYKZ-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H](Nc1cccc(C[NH+](C)C)c1)C1CCC1 ZINC000322576397 386728355 /nfs/dbraw/zinc/72/83/55/386728355.db2.gz UAXXBIDKPGKPEP-INIZCTEOSA-N 1 0 246.398 3.739 20 0 BHADRO CC[C@@H](Nc1cccc(C[NH+](C)C)c1)C1CCC1 ZINC000322576398 386728119 /nfs/dbraw/zinc/72/81/19/386728119.db2.gz UAXXBIDKPGKPEP-MRXNPFEDSA-N 1 0 246.398 3.739 20 0 BHADRO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1cccs1 ZINC000322583639 259710605 /nfs/dbraw/zinc/71/06/05/259710605.db2.gz DMRDLEKVCFLZGY-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1cccs1 ZINC000322583640 388439851 /nfs/dbraw/zinc/43/98/51/388439851.db2.gz DMRDLEKVCFLZGY-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1cccs1 ZINC000322583642 388440011 /nfs/dbraw/zinc/44/00/11/388440011.db2.gz DMRDLEKVCFLZGY-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1cccs1 ZINC000322583644 388440320 /nfs/dbraw/zinc/44/03/20/388440320.db2.gz DMRDLEKVCFLZGY-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccncc1)C1CCC1 ZINC000322585384 488192467 /nfs/dbraw/zinc/19/24/67/488192467.db2.gz VFPXCBZPPJVKIO-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ccncc1)C1CCC1 ZINC000322585385 488192475 /nfs/dbraw/zinc/19/24/75/488192475.db2.gz VFPXCBZPPJVKIO-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1)C1CCC1 ZINC000322585386 488192799 /nfs/dbraw/zinc/19/27/99/488192799.db2.gz VFPXCBZPPJVKIO-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccncc1)C1CCC1 ZINC000322585387 488192461 /nfs/dbraw/zinc/19/24/61/488192461.db2.gz VFPXCBZPPJVKIO-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+]CCCCOC(C)C)C1CCC1 ZINC000322612152 388441215 /nfs/dbraw/zinc/44/12/15/388441215.db2.gz CPPRLQCSQZYHHP-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOC(C)C)C1CCC1 ZINC000322612153 388441410 /nfs/dbraw/zinc/44/14/10/388441410.db2.gz CPPRLQCSQZYHHP-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H](C)c1sccc1C)OC ZINC000322647370 388443317 /nfs/dbraw/zinc/44/33/17/388443317.db2.gz WBXYLDZHVWEOIL-AAEUAGOBSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)c1sccc1C)OC ZINC000322647371 388442959 /nfs/dbraw/zinc/44/29/59/388442959.db2.gz WBXYLDZHVWEOIL-DGCLKSJQSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)c1sccc1C)OC ZINC000322647372 259713202 /nfs/dbraw/zinc/71/32/02/259713202.db2.gz WBXYLDZHVWEOIL-WCQYABFASA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H](C)c1sccc1C)OC ZINC000322647373 388443132 /nfs/dbraw/zinc/44/31/32/388443132.db2.gz WBXYLDZHVWEOIL-YPMHNXCESA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccsc1 ZINC000322653906 388443054 /nfs/dbraw/zinc/44/30/54/388443054.db2.gz YIJAFFDLPCFIEE-CHWSQXEVSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccsc1 ZINC000322653909 388442720 /nfs/dbraw/zinc/44/27/20/388442720.db2.gz YIJAFFDLPCFIEE-OLZOCXBDSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccsc1 ZINC000322653911 388443038 /nfs/dbraw/zinc/44/30/38/388443038.db2.gz YIJAFFDLPCFIEE-QWHCGFSZSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccsc1 ZINC000322653914 388442676 /nfs/dbraw/zinc/44/26/76/388442676.db2.gz YIJAFFDLPCFIEE-STQMWFEESA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)C1CCC1 ZINC000322724929 388444918 /nfs/dbraw/zinc/44/49/18/388444918.db2.gz UPCFRFWFPABSIL-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)C1CCC1 ZINC000322724930 388445063 /nfs/dbraw/zinc/44/50/63/388445063.db2.gz UPCFRFWFPABSIL-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)C1CCC1 ZINC000322726897 388444963 /nfs/dbraw/zinc/44/49/63/388444963.db2.gz UZYRDSKHLYVOML-IHRRRGAJSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)C1CCC1 ZINC000322726898 388444948 /nfs/dbraw/zinc/44/49/48/388444948.db2.gz UZYRDSKHLYVOML-MCIONIFRSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)C1CCC1 ZINC000322726899 388444831 /nfs/dbraw/zinc/44/48/31/388444831.db2.gz UZYRDSKHLYVOML-MJBXVCDLSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)C1CCC1 ZINC000322726900 388445199 /nfs/dbraw/zinc/44/51/99/388445199.db2.gz UZYRDSKHLYVOML-RDBSUJKOSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1 ZINC000322782248 388446781 /nfs/dbraw/zinc/44/67/81/388446781.db2.gz LGWCTTVWBNXEQU-CABCVRRESA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1 ZINC000322782249 388446698 /nfs/dbraw/zinc/44/66/98/388446698.db2.gz LGWCTTVWBNXEQU-GJZGRUSLSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1 ZINC000322782250 388447200 /nfs/dbraw/zinc/44/72/00/388447200.db2.gz LGWCTTVWBNXEQU-HUUCEWRRSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1 ZINC000322782251 388447505 /nfs/dbraw/zinc/44/75/05/388447505.db2.gz LGWCTTVWBNXEQU-LSDHHAIUSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCCCCSC)C1CCC1 ZINC000322833727 388448856 /nfs/dbraw/zinc/44/88/56/388448856.db2.gz JPNPDBJDSOSBNW-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]([NH2+]CCCCCSC)C1CCC1 ZINC000322833728 388448730 /nfs/dbraw/zinc/44/87/30/388448730.db2.gz JPNPDBJDSOSBNW-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@@H]([NH2+]CCCC(F)(F)F)C1CCC1 ZINC000322836709 388448592 /nfs/dbraw/zinc/44/85/92/388448592.db2.gz KFBGWZQPOLDKQM-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@H]([NH2+]CCCC(F)(F)F)C1CCC1 ZINC000322836710 388448442 /nfs/dbraw/zinc/44/84/42/388448442.db2.gz KFBGWZQPOLDKQM-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@@H]([NH2+]CCCCSC)C1CCC1 ZINC000322871239 388449381 /nfs/dbraw/zinc/44/93/81/388449381.db2.gz WGBZPHFAKJUMRX-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@H]([NH2+]CCCCSC)C1CCC1 ZINC000322871240 388449034 /nfs/dbraw/zinc/44/90/34/388449034.db2.gz WGBZPHFAKJUMRX-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000322878991 488197275 /nfs/dbraw/zinc/19/72/75/488197275.db2.gz YCYDDSIOHGRLQW-NEPJUHHUSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCC1 ZINC000322878992 488197472 /nfs/dbraw/zinc/19/74/72/488197472.db2.gz YCYDDSIOHGRLQW-NWDGAFQWSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCC1 ZINC000322878993 488197286 /nfs/dbraw/zinc/19/72/86/488197286.db2.gz YCYDDSIOHGRLQW-RYUDHWBXSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000322878994 487826263 /nfs/dbraw/zinc/82/62/63/487826263.db2.gz YCYDDSIOHGRLQW-VXGBXAGGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@](C)(C[NH2+]CC[C@@H](C)c1ccccc1)OC ZINC000322980474 259308330 /nfs/dbraw/zinc/30/83/30/259308330.db2.gz ZAIXGJPTXRELBB-GDBMZVCRSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@](C)(C[NH2+]CC[C@H](C)c1ccccc1)OC ZINC000322980475 259308344 /nfs/dbraw/zinc/30/83/44/259308344.db2.gz ZAIXGJPTXRELBB-GOEBONIOSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@](C)(C[NH2+]CC[C@H](C)c1ccccc1)OC ZINC000322980476 259308090 /nfs/dbraw/zinc/30/80/90/259308090.db2.gz ZAIXGJPTXRELBB-HOCLYGCPSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@](C)(C[NH2+]CC[C@@H](C)c1ccccc1)OC ZINC000322980477 259308399 /nfs/dbraw/zinc/30/83/99/259308399.db2.gz ZAIXGJPTXRELBB-ZBFHGGJFSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+]CCCCc1ccccc1)C1CC1 ZINC000323743759 537903556 /nfs/dbraw/zinc/90/35/56/537903556.db2.gz QRFBHWDMMANQDR-INIZCTEOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]([NH2+]CCCCc1ccccc1)C1CC1 ZINC000323743760 537904118 /nfs/dbraw/zinc/90/41/18/537904118.db2.gz QRFBHWDMMANQDR-MRXNPFEDSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C1CC1 ZINC000323779162 640285868 /nfs/dbraw/zinc/28/58/68/640285868.db2.gz ZQOCJUUMZKAMKB-ABAIWWIYSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(F)c1)C1CC1 ZINC000323779163 711776969 /nfs/dbraw/zinc/77/69/69/711776969.db2.gz ZQOCJUUMZKAMKB-IAQYHMDHSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C1CC1 ZINC000323779164 640287069 /nfs/dbraw/zinc/28/70/69/640287069.db2.gz ZQOCJUUMZKAMKB-NHYWBVRUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C1CC1 ZINC000323779165 711776935 /nfs/dbraw/zinc/77/69/35/711776935.db2.gz ZQOCJUUMZKAMKB-XHDPSFHLSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC000323782585 537904313 /nfs/dbraw/zinc/90/43/13/537904313.db2.gz BIOVVYJNYHUYHY-AVVWSFFYSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC000323782586 537903652 /nfs/dbraw/zinc/90/36/52/537903652.db2.gz BIOVVYJNYHUYHY-BCLQGDPASA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000323784326 537903916 /nfs/dbraw/zinc/90/39/16/537903916.db2.gz BOYGXTUQYCOXLW-SEEARECTSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000323784328 537904302 /nfs/dbraw/zinc/90/43/02/537904302.db2.gz BOYGXTUQYCOXLW-ZUEPYMLJSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000323785026 386472429 /nfs/dbraw/zinc/47/24/29/386472429.db2.gz BUHUYNNAMYOPSY-CYBMUJFWSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000323785027 386472419 /nfs/dbraw/zinc/47/24/19/386472419.db2.gz BUHUYNNAMYOPSY-ZDUSSCGKSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC000323789336 487872888 /nfs/dbraw/zinc/87/28/88/487872888.db2.gz CRRVJLQQYLEERP-JTQLQIEISA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC000323789338 487873231 /nfs/dbraw/zinc/87/32/31/487873231.db2.gz CRRVJLQQYLEERP-SNVBAGLBSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000323802940 640560967 /nfs/dbraw/zinc/56/09/67/640560967.db2.gz GZLLRRHLZMBHNK-LLVKDONJSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000323802941 640561992 /nfs/dbraw/zinc/56/19/92/640561992.db2.gz GZLLRRHLZMBHNK-NSHDSACASA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000323861529 488225292 /nfs/dbraw/zinc/22/52/92/488225292.db2.gz JOIZINCTLMOGBL-LKFCYVNXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000323861530 488224988 /nfs/dbraw/zinc/22/49/88/488224988.db2.gz JOIZINCTLMOGBL-OTYXRUKQSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000323861531 488225165 /nfs/dbraw/zinc/22/51/65/488225165.db2.gz JOIZINCTLMOGBL-XPTSAGLGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000323861532 488225381 /nfs/dbraw/zinc/22/53/81/488225381.db2.gz JOIZINCTLMOGBL-YMTOWFKASA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccsc1 ZINC000323862521 487876363 /nfs/dbraw/zinc/87/63/63/487876363.db2.gz JVEHIXVPQOUZNZ-CHWSQXEVSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccsc1)C1CC1 ZINC000323862522 487876527 /nfs/dbraw/zinc/87/65/27/487876527.db2.gz JVEHIXVPQOUZNZ-OLZOCXBDSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccsc1 ZINC000323862525 487876584 /nfs/dbraw/zinc/87/65/84/487876584.db2.gz JVEHIXVPQOUZNZ-QWHCGFSZSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccsc1 ZINC000323862527 487876412 /nfs/dbraw/zinc/87/64/12/487876412.db2.gz JVEHIXVPQOUZNZ-STQMWFEESA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871865 388377797 /nfs/dbraw/zinc/37/77/97/388377797.db2.gz LTNWJABIPWIZHX-NOZJJQNGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871866 388377650 /nfs/dbraw/zinc/37/76/50/388377650.db2.gz LTNWJABIPWIZHX-RNCFNFMXSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871867 388376854 /nfs/dbraw/zinc/37/68/54/388376854.db2.gz LTNWJABIPWIZHX-TVQRCGJNSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871868 326411707 /nfs/dbraw/zinc/41/17/07/326411707.db2.gz LTNWJABIPWIZHX-ZANVPECISA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000323909788 488228843 /nfs/dbraw/zinc/22/88/43/488228843.db2.gz RXLUTZYGJFJZOQ-CVEARBPZSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000323909790 488228781 /nfs/dbraw/zinc/22/87/81/488228781.db2.gz RXLUTZYGJFJZOQ-HOTGVXAUSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000323909792 488228648 /nfs/dbraw/zinc/22/86/48/488228648.db2.gz RXLUTZYGJFJZOQ-HZPDHXFCSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000323909794 488228634 /nfs/dbraw/zinc/22/86/34/488228634.db2.gz RXLUTZYGJFJZOQ-JKSUJKDBSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1CC1 ZINC000323924724 566367939 /nfs/dbraw/zinc/36/79/39/566367939.db2.gz WELWVGFIGXKQCO-AVVWSFFYSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1CC1 ZINC000323924727 566367878 /nfs/dbraw/zinc/36/78/78/566367878.db2.gz WELWVGFIGXKQCO-BCLQGDPASA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)C1CC1 ZINC000323927535 537907571 /nfs/dbraw/zinc/90/75/71/537907571.db2.gz WXINNIUHNIXLJE-CYBMUJFWSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C(F)F)c1)C1CC1 ZINC000323927536 537908565 /nfs/dbraw/zinc/90/85/65/537908565.db2.gz WXINNIUHNIXLJE-ZDUSSCGKSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1csc(C)c1)C1CC1 ZINC000323932255 487879240 /nfs/dbraw/zinc/87/92/40/487879240.db2.gz YDTQQXPKYVTPGF-GWCFXTLKSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1csc(C)c1)C1CC1 ZINC000323932257 487880680 /nfs/dbraw/zinc/88/06/80/487880680.db2.gz YDTQQXPKYVTPGF-GXFFZTMASA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1csc(C)c1)C1CC1 ZINC000323932259 487880323 /nfs/dbraw/zinc/88/03/23/487880323.db2.gz YDTQQXPKYVTPGF-MFKMUULPSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1csc(C)c1)C1CC1 ZINC000323932260 487880487 /nfs/dbraw/zinc/88/04/87/487880487.db2.gz YDTQQXPKYVTPGF-ZWNOBZJWSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000323943813 323144870 /nfs/dbraw/zinc/14/48/70/323144870.db2.gz BCLDTTUBVSJCFN-GPANFISMSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000323943814 323144844 /nfs/dbraw/zinc/14/48/44/323144844.db2.gz BCLDTTUBVSJCFN-UYSNPLJNSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000323952367 323187968 /nfs/dbraw/zinc/18/79/68/323187968.db2.gz DANKRTSKBGNITG-INIZCTEOSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000323952368 323187902 /nfs/dbraw/zinc/18/79/02/323187902.db2.gz DANKRTSKBGNITG-MRXNPFEDSA-N 1 0 229.367 3.842 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000323971908 641337453 /nfs/dbraw/zinc/33/74/53/641337453.db2.gz IMBZPJPJCWXFIO-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000323971911 641337299 /nfs/dbraw/zinc/33/72/99/641337299.db2.gz IMBZPJPJCWXFIO-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc21)C1CC1 ZINC000323992157 537909234 /nfs/dbraw/zinc/90/92/34/537909234.db2.gz KQWRNIQDSWARLX-CVEARBPZSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2ccc(C)cc21)C1CC1 ZINC000323992158 537909816 /nfs/dbraw/zinc/90/98/16/537909816.db2.gz KQWRNIQDSWARLX-HOTGVXAUSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc21)C1CC1 ZINC000323992160 537910035 /nfs/dbraw/zinc/91/00/35/537910035.db2.gz KQWRNIQDSWARLX-HZPDHXFCSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)C1CC1 ZINC000323992162 537909597 /nfs/dbraw/zinc/90/95/97/537909597.db2.gz KQWRNIQDSWARLX-JKSUJKDBSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC000324001650 386960650 /nfs/dbraw/zinc/96/06/50/386960650.db2.gz MCALJLQEARWOIE-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000324001651 262766979 /nfs/dbraw/zinc/76/69/79/262766979.db2.gz MCALJLQEARWOIE-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000324001653 386959417 /nfs/dbraw/zinc/95/94/17/386959417.db2.gz MCALJLQEARWOIE-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC000324001654 386960349 /nfs/dbraw/zinc/96/03/49/386960349.db2.gz MCALJLQEARWOIE-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000324005301 388379231 /nfs/dbraw/zinc/37/92/31/388379231.db2.gz OBRYXQWRCNCJLL-HNNXBMFYSA-N 1 0 249.423 3.933 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000324005302 326412464 /nfs/dbraw/zinc/41/24/64/326412464.db2.gz OBRYXQWRCNCJLL-OAHLLOKOSA-N 1 0 249.423 3.933 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C1CC1 ZINC000324015819 386976571 /nfs/dbraw/zinc/97/65/71/386976571.db2.gz OZCVAYOEQFULAO-GXTWGEPZSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CSc2ccccc21)C1CC1 ZINC000324015820 386976288 /nfs/dbraw/zinc/97/62/88/386976288.db2.gz OZCVAYOEQFULAO-JSGCOSHPSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CC1 ZINC000324016134 262768030 /nfs/dbraw/zinc/76/80/30/262768030.db2.gz OZCVAYOEQFULAO-OCCSQVGLSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CC1 ZINC000324016136 386976447 /nfs/dbraw/zinc/97/64/47/386976447.db2.gz OZCVAYOEQFULAO-TZMCWYRMSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000324038467 386746477 /nfs/dbraw/zinc/74/64/77/386746477.db2.gz TXIBEVGTNBRBSZ-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000324038468 355959946 /nfs/dbraw/zinc/95/99/46/355959946.db2.gz TXIBEVGTNBRBSZ-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]([NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC000324051475 491084752 /nfs/dbraw/zinc/08/47/52/491084752.db2.gz VZEKNWHVUHXURO-CXSQMQJXSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H]([NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC000324051476 491084730 /nfs/dbraw/zinc/08/47/30/491084730.db2.gz VZEKNWHVUHXURO-DHINHOHASA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H]([NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC000324051478 491084677 /nfs/dbraw/zinc/08/46/77/491084677.db2.gz VZEKNWHVUHXURO-DIEDAUMRSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@@H]([NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC000324051480 491084700 /nfs/dbraw/zinc/08/47/00/491084700.db2.gz VZEKNWHVUHXURO-VGZDNEPHSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000324066003 386790932 /nfs/dbraw/zinc/79/09/32/386790932.db2.gz XWFDTRPZWGTGIA-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000324066005 356085532 /nfs/dbraw/zinc/08/55/32/356085532.db2.gz XWFDTRPZWGTGIA-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000324098261 326413055 /nfs/dbraw/zinc/41/30/55/326413055.db2.gz IPABPXWCAMCGAC-PEYYIBSZSA-N 1 0 247.382 3.927 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000324098263 388378984 /nfs/dbraw/zinc/37/89/84/388378984.db2.gz IPABPXWCAMCGAC-PJODQICGSA-N 1 0 247.382 3.927 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000324098264 388378957 /nfs/dbraw/zinc/37/89/57/388378957.db2.gz IPABPXWCAMCGAC-WPGHFRTFSA-N 1 0 247.382 3.927 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000324098266 323565913 /nfs/dbraw/zinc/56/59/13/323565913.db2.gz IPABPXWCAMCGAC-XFJVYGCCSA-N 1 0 247.382 3.927 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000324100274 323566786 /nfs/dbraw/zinc/56/67/86/323566786.db2.gz IYFIHZBRBHAFEV-BBRMVZONSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000324100275 323566782 /nfs/dbraw/zinc/56/67/82/323566782.db2.gz IYFIHZBRBHAFEV-CJNGLKHVSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000324100276 387270689 /nfs/dbraw/zinc/27/06/89/387270689.db2.gz IYFIHZBRBHAFEV-CZUORRHYSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000324100277 323566514 /nfs/dbraw/zinc/56/65/14/323566514.db2.gz IYFIHZBRBHAFEV-XJKSGUPXSA-N 1 0 231.383 3.814 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000324101387 487520696 /nfs/dbraw/zinc/52/06/96/487520696.db2.gz LKRBNBMJOPZGLJ-BLLLJJGKSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000324101389 487520366 /nfs/dbraw/zinc/52/03/66/487520366.db2.gz LKRBNBMJOPZGLJ-LRDDRELGSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000324101390 487520597 /nfs/dbraw/zinc/52/05/97/487520597.db2.gz LKRBNBMJOPZGLJ-MLGOLLRUSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000324101391 487520924 /nfs/dbraw/zinc/52/09/24/487520924.db2.gz LKRBNBMJOPZGLJ-WBMJQRKESA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCc2occc21)C1CC1 ZINC000324102566 487524924 /nfs/dbraw/zinc/52/49/24/487524924.db2.gz JUWWRDYWUKCOMZ-DZGCQCFKSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCc2occc21)C1CC1 ZINC000324102568 487524895 /nfs/dbraw/zinc/52/48/95/487524895.db2.gz JUWWRDYWUKCOMZ-HIFRSBDPSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2occc21)C1CC1 ZINC000324102570 487524920 /nfs/dbraw/zinc/52/49/20/487524920.db2.gz JUWWRDYWUKCOMZ-UKRRQHHQSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCc2occc21)C1CC1 ZINC000324102572 487524796 /nfs/dbraw/zinc/52/47/96/487524796.db2.gz JUWWRDYWUKCOMZ-ZFWWWQNUSA-N 1 0 233.355 3.681 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324105472 537909434 /nfs/dbraw/zinc/90/94/34/537909434.db2.gz MGQRTGMTCYZFJP-INIZCTEOSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000324105473 537910065 /nfs/dbraw/zinc/91/00/65/537910065.db2.gz MGQRTGMTCYZFJP-MRXNPFEDSA-N 1 0 247.382 3.528 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000324107897 388378361 /nfs/dbraw/zinc/37/83/61/388378361.db2.gz KIMMOVQCGAATHS-INIZCTEOSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000324107900 388378997 /nfs/dbraw/zinc/37/89/97/388378997.db2.gz KIMMOVQCGAATHS-MRXNPFEDSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324111265 491085675 /nfs/dbraw/zinc/08/56/75/491085675.db2.gz NSBMKGGEAOVOFP-BLLLJJGKSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324111266 491085717 /nfs/dbraw/zinc/08/57/17/491085717.db2.gz NSBMKGGEAOVOFP-LRDDRELGSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324111268 491085639 /nfs/dbraw/zinc/08/56/39/491085639.db2.gz NSBMKGGEAOVOFP-MLGOLLRUSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324111269 491085652 /nfs/dbraw/zinc/08/56/52/491085652.db2.gz NSBMKGGEAOVOFP-WBMJQRKESA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324112040 388378979 /nfs/dbraw/zinc/37/89/79/388378979.db2.gz LEQQBJXCEXRKTE-INIZCTEOSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324112042 326413040 /nfs/dbraw/zinc/41/30/40/326413040.db2.gz LEQQBJXCEXRKTE-MRXNPFEDSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000324120409 487532825 /nfs/dbraw/zinc/53/28/25/487532825.db2.gz GQHGJTPXVBEVKN-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000324120410 487533105 /nfs/dbraw/zinc/53/31/05/487533105.db2.gz GQHGJTPXVBEVKN-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC000324125018 171529879 /nfs/dbraw/zinc/52/98/79/171529879.db2.gz HJCQYZLVCJDWJI-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC000324125020 170901807 /nfs/dbraw/zinc/90/18/07/170901807.db2.gz HJCQYZLVCJDWJI-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000324130996 537911488 /nfs/dbraw/zinc/91/14/88/537911488.db2.gz IHDCQALMXLPUSR-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000324130999 537911054 /nfs/dbraw/zinc/91/10/54/537911054.db2.gz IHDCQALMXLPUSR-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C(C)C)C2CC2)cc(C)c1O ZINC000324158106 541306156 /nfs/dbraw/zinc/30/61/56/541306156.db2.gz ZHTLWLRKZIMXFZ-HNNXBMFYSA-N 1 0 247.382 3.533 20 0 BHADRO Cc1cc(C[NH2+][C@H](C(C)C)C2CC2)cc(C)c1O ZINC000324158107 537911449 /nfs/dbraw/zinc/91/14/49/537911449.db2.gz ZHTLWLRKZIMXFZ-OAHLLOKOSA-N 1 0 247.382 3.533 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000324169401 487550978 /nfs/dbraw/zinc/55/09/78/487550978.db2.gz VHQVBXXYKAEPOO-BLLLJJGKSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000324169403 487551303 /nfs/dbraw/zinc/55/13/03/487551303.db2.gz VHQVBXXYKAEPOO-LRDDRELGSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000324169405 487551276 /nfs/dbraw/zinc/55/12/76/487551276.db2.gz VHQVBXXYKAEPOO-MLGOLLRUSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000324169407 487551168 /nfs/dbraw/zinc/55/11/68/487551168.db2.gz VHQVBXXYKAEPOO-WBMJQRKESA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)[C@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000324179422 324130216 /nfs/dbraw/zinc/13/02/16/324130216.db2.gz WZJFLJOXHLIEAW-INIZCTEOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000324179424 324130199 /nfs/dbraw/zinc/13/01/99/324130199.db2.gz WZJFLJOXHLIEAW-MRXNPFEDSA-N 1 0 231.383 3.643 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324182730 361181006 /nfs/dbraw/zinc/18/10/06/361181006.db2.gz XPBRXHVQUDPOEC-INIZCTEOSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000324182733 361181300 /nfs/dbraw/zinc/18/13/00/361181300.db2.gz XPBRXHVQUDPOEC-MRXNPFEDSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000324206473 487557371 /nfs/dbraw/zinc/55/73/71/487557371.db2.gz CECLIHZBIHPUBX-INIZCTEOSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000324206474 487556623 /nfs/dbraw/zinc/55/66/23/487556623.db2.gz CECLIHZBIHPUBX-MRXNPFEDSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000324246360 323141997 /nfs/dbraw/zinc/14/19/97/323141997.db2.gz JQIANLRTPGKJNE-AAEUAGOBSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000324246943 323141986 /nfs/dbraw/zinc/14/19/86/323141986.db2.gz JQIANLRTPGKJNE-DGCLKSJQSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000324246944 323142026 /nfs/dbraw/zinc/14/20/26/323142026.db2.gz JQIANLRTPGKJNE-WCQYABFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000324246945 323142028 /nfs/dbraw/zinc/14/20/28/323142028.db2.gz JQIANLRTPGKJNE-YPMHNXCESA-N 1 0 245.357 3.836 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)cs1 ZINC000324249420 487563989 /nfs/dbraw/zinc/56/39/89/487563989.db2.gz KBHHDUNWSXLPGQ-NOZJJQNGSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)cs1 ZINC000324249422 487564070 /nfs/dbraw/zinc/56/40/70/487564070.db2.gz KBHHDUNWSXLPGQ-RNCFNFMXSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)cs1 ZINC000324249425 487564470 /nfs/dbraw/zinc/56/44/70/487564470.db2.gz KBHHDUNWSXLPGQ-TVQRCGJNSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)cs1 ZINC000324249426 487564439 /nfs/dbraw/zinc/56/44/39/487564439.db2.gz KBHHDUNWSXLPGQ-ZANVPECISA-N 1 0 238.400 3.537 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](CC)C2CC2)c1 ZINC000324255486 566369623 /nfs/dbraw/zinc/36/96/23/566369623.db2.gz BSHNEZSQOSPGBT-INIZCTEOSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](CC)C2CC2)c1 ZINC000324255493 566369094 /nfs/dbraw/zinc/36/90/94/566369094.db2.gz BSHNEZSQOSPGBT-MRXNPFEDSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000324255918 386833456 /nfs/dbraw/zinc/83/34/56/386833456.db2.gz BTTNIZMVXYQUQZ-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](CC)C1CC1 ZINC000324255920 262788028 /nfs/dbraw/zinc/78/80/28/262788028.db2.gz BTTNIZMVXYQUQZ-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H](CC)C1CC1 ZINC000324255924 386835269 /nfs/dbraw/zinc/83/52/69/386835269.db2.gz BTTNIZMVXYQUQZ-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000324255927 386835019 /nfs/dbraw/zinc/83/50/19/386835019.db2.gz BTTNIZMVXYQUQZ-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000324259235 326414474 /nfs/dbraw/zinc/41/44/74/326414474.db2.gz LJIWBFDUFULRHP-INIZCTEOSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000324259237 326414498 /nfs/dbraw/zinc/41/44/98/326414498.db2.gz LJIWBFDUFULRHP-MRXNPFEDSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000324269263 566368914 /nfs/dbraw/zinc/36/89/14/566368914.db2.gz NGUYESRPPCZUHG-HNNXBMFYSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000324269264 566368836 /nfs/dbraw/zinc/36/88/36/566368836.db2.gz NGUYESRPPCZUHG-OAHLLOKOSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000324273265 323144703 /nfs/dbraw/zinc/14/47/03/323144703.db2.gz OHFWSRZMHDFUJE-INIZCTEOSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000324273266 323144795 /nfs/dbraw/zinc/14/47/95/323144795.db2.gz OHFWSRZMHDFUJE-MRXNPFEDSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@H]([NH2+]CCSc1ccccc1)C1CC1 ZINC000324293681 388380853 /nfs/dbraw/zinc/38/08/53/388380853.db2.gz SIOHAWZOKWZWCM-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@@H]([NH2+]CCSc1ccccc1)C1CC1 ZINC000324293682 388380549 /nfs/dbraw/zinc/38/05/49/388380549.db2.gz SIOHAWZOKWZWCM-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000324299618 388380759 /nfs/dbraw/zinc/38/07/59/388380759.db2.gz UEWVOOIHQGJBHT-JCYILVPMSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000324299621 326414697 /nfs/dbraw/zinc/41/46/97/326414697.db2.gz UEWVOOIHQGJBHT-OFLPRAFFSA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000324302087 386842463 /nfs/dbraw/zinc/84/24/63/386842463.db2.gz KUICHPNVVFBTFF-INIZCTEOSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000324302089 386843998 /nfs/dbraw/zinc/84/39/98/386843998.db2.gz KUICHPNVVFBTFF-MRXNPFEDSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000324303902 326414678 /nfs/dbraw/zinc/41/46/78/326414678.db2.gz VAYULENMGYAIEY-INIZCTEOSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1coc2ccccc12)C1CC1 ZINC000324303903 326414732 /nfs/dbraw/zinc/41/47/32/326414732.db2.gz VAYULENMGYAIEY-MRXNPFEDSA-N 1 0 243.350 3.957 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CSCc2ccccc21)C1CC1 ZINC000324309944 566368999 /nfs/dbraw/zinc/36/89/99/566368999.db2.gz MLXVYCHIEZYKBS-CABCVRRESA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSCc2ccccc21)C1CC1 ZINC000324309945 566369426 /nfs/dbraw/zinc/36/94/26/566369426.db2.gz MLXVYCHIEZYKBS-GJZGRUSLSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CSCc2ccccc21)C1CC1 ZINC000324309946 566369546 /nfs/dbraw/zinc/36/95/46/566369546.db2.gz MLXVYCHIEZYKBS-HUUCEWRRSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSCc2ccccc21)C1CC1 ZINC000324309947 566368923 /nfs/dbraw/zinc/36/89/23/566368923.db2.gz MLXVYCHIEZYKBS-LSDHHAIUSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000324319545 566369006 /nfs/dbraw/zinc/36/90/06/566369006.db2.gz OCURPOYMLUBVTQ-CABCVRRESA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000324319549 566369563 /nfs/dbraw/zinc/36/95/63/566369563.db2.gz OCURPOYMLUBVTQ-GJZGRUSLSA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000324319554 566368811 /nfs/dbraw/zinc/36/88/11/566368811.db2.gz OCURPOYMLUBVTQ-HUUCEWRRSA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000324319557 566369107 /nfs/dbraw/zinc/36/91/07/566369107.db2.gz OCURPOYMLUBVTQ-LSDHHAIUSA-N 1 0 249.785 3.585 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000324327037 388382003 /nfs/dbraw/zinc/38/20/03/388382003.db2.gz ZLWSAOXYMTYHBQ-DLBZAZTESA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000324327038 388381725 /nfs/dbraw/zinc/38/17/25/388381725.db2.gz ZLWSAOXYMTYHBQ-IAGOWNOFSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000324327039 388381753 /nfs/dbraw/zinc/38/17/53/388381753.db2.gz ZLWSAOXYMTYHBQ-IRXDYDNUSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000324327040 388381512 /nfs/dbraw/zinc/38/15/12/388381512.db2.gz ZLWSAOXYMTYHBQ-SJORKVTESA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000324329103 487576356 /nfs/dbraw/zinc/57/63/56/487576356.db2.gz ZXKLYBMFMDMPHT-INIZCTEOSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000324329105 487575965 /nfs/dbraw/zinc/57/59/65/487575965.db2.gz ZXKLYBMFMDMPHT-MRXNPFEDSA-N 1 0 242.366 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1OC(C)C)C1CC1 ZINC000324334004 323228237 /nfs/dbraw/zinc/22/82/37/323228237.db2.gz QUSOSACYXFHVDI-HNNXBMFYSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1OC(C)C)C1CC1 ZINC000324334005 323228283 /nfs/dbraw/zinc/22/82/83/323228283.db2.gz QUSOSACYXFHVDI-OAHLLOKOSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CCc1ccco1)C1CC1 ZINC000324337004 487577871 /nfs/dbraw/zinc/57/78/71/487577871.db2.gz COSYJNFAQMDVJL-DOMZBBRYSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)CCc1ccco1)C1CC1 ZINC000324337006 487577776 /nfs/dbraw/zinc/57/77/76/487577776.db2.gz COSYJNFAQMDVJL-IUODEOHRSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)CCc1ccco1)C1CC1 ZINC000324337007 487577859 /nfs/dbraw/zinc/57/78/59/487577859.db2.gz COSYJNFAQMDVJL-SWLSCSKDSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CCc1ccco1)C1CC1 ZINC000324337008 487577878 /nfs/dbraw/zinc/57/78/78/487577878.db2.gz COSYJNFAQMDVJL-WFASDCNBSA-N 1 0 235.371 3.625 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)o1 ZINC000324345218 487578796 /nfs/dbraw/zinc/57/87/96/487578796.db2.gz FFGFMHRFTYWJIK-BXUZGUMPSA-N 1 0 221.344 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)o1 ZINC000324345219 487578744 /nfs/dbraw/zinc/57/87/44/487578744.db2.gz FFGFMHRFTYWJIK-FZMZJTMJSA-N 1 0 221.344 3.673 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)o1 ZINC000324345221 487578870 /nfs/dbraw/zinc/57/88/70/487578870.db2.gz FFGFMHRFTYWJIK-RISCZKNCSA-N 1 0 221.344 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)o1 ZINC000324345222 487578438 /nfs/dbraw/zinc/57/84/38/487578438.db2.gz FFGFMHRFTYWJIK-SMDDNHRTSA-N 1 0 221.344 3.673 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1F ZINC000324345895 364772589 /nfs/dbraw/zinc/77/25/89/364772589.db2.gz FKWRHBFVWAIGJR-HNNXBMFYSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1F ZINC000324345898 364772581 /nfs/dbraw/zinc/77/25/81/364772581.db2.gz FKWRHBFVWAIGJR-OAHLLOKOSA-N 1 0 235.346 3.658 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(OC(C)C)c1)C1CC1 ZINC000324361128 541393209 /nfs/dbraw/zinc/39/32/09/541393209.db2.gz VWVWLBYSPBDRSD-INIZCTEOSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(OC(C)C)c1)C1CC1 ZINC000324361129 541393101 /nfs/dbraw/zinc/39/31/01/541393101.db2.gz VWVWLBYSPBDRSD-MRXNPFEDSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1sccc1C)C1CC1 ZINC000324372674 487586873 /nfs/dbraw/zinc/58/68/73/487586873.db2.gz XTKZNADOPCIKTD-CMPLNLGQSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1sccc1C)C1CC1 ZINC000324372676 487586788 /nfs/dbraw/zinc/58/67/88/487586788.db2.gz XTKZNADOPCIKTD-JQWIXIFHSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1sccc1C)C1CC1 ZINC000324372678 487587127 /nfs/dbraw/zinc/58/71/27/487587127.db2.gz XTKZNADOPCIKTD-PWSUYJOCSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1sccc1C)C1CC1 ZINC000324372680 487586776 /nfs/dbraw/zinc/58/67/76/487586776.db2.gz XTKZNADOPCIKTD-ZYHUDNBSSA-N 1 0 223.385 3.896 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000324377805 387029082 /nfs/dbraw/zinc/02/90/82/387029082.db2.gz YNRIOAHTJCNDKI-INIZCTEOSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000324377807 387028850 /nfs/dbraw/zinc/02/88/50/387028850.db2.gz YNRIOAHTJCNDKI-MRXNPFEDSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000324390367 326415805 /nfs/dbraw/zinc/41/58/05/326415805.db2.gz AUNFSQWHNFLORT-CABCVRRESA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000324390368 398202909 /nfs/dbraw/zinc/20/29/09/398202909.db2.gz AUNFSQWHNFLORT-GJZGRUSLSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000324390369 398202948 /nfs/dbraw/zinc/20/29/48/398202948.db2.gz AUNFSQWHNFLORT-HUUCEWRRSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000324390370 326415801 /nfs/dbraw/zinc/41/58/01/326415801.db2.gz AUNFSQWHNFLORT-LSDHHAIUSA-N 1 0 233.330 3.591 20 0 BHADRO CCC(CC)n1ccc(C[NH2+][C@@H](CC)C2CC2)n1 ZINC000324395035 487522384 /nfs/dbraw/zinc/52/23/84/487522384.db2.gz BOYDYCWEOULRME-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)n1ccc(C[NH2+][C@H](CC)C2CC2)n1 ZINC000324395036 487599912 /nfs/dbraw/zinc/59/99/12/487599912.db2.gz BOYDYCWEOULRME-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CC1 ZINC000324422953 356332949 /nfs/dbraw/zinc/33/29/49/356332949.db2.gz GSDVMBYIYCHPFJ-DOTOQJQBSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CC1 ZINC000324422954 356332773 /nfs/dbraw/zinc/33/27/73/356332773.db2.gz GSDVMBYIYCHPFJ-NVXWUHKLSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CC1 ZINC000324422955 356332895 /nfs/dbraw/zinc/33/28/95/356332895.db2.gz GSDVMBYIYCHPFJ-RDJZCZTQSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CC1 ZINC000324422956 356332847 /nfs/dbraw/zinc/33/28/47/356332847.db2.gz GSDVMBYIYCHPFJ-WBVHZDCISA-N 1 0 243.394 3.885 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C(C)C)C2CC2)ccc1F ZINC000324471739 387838648 /nfs/dbraw/zinc/83/86/48/387838648.db2.gz ZZYKPNTXXQANSM-HNNXBMFYSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1cc(C[NH2+][C@H](C(C)C)C2CC2)ccc1F ZINC000324471740 387839936 /nfs/dbraw/zinc/83/99/36/387839936.db2.gz ZZYKPNTXXQANSM-OAHLLOKOSA-N 1 0 235.346 3.658 20 0 BHADRO CSCCCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000324474215 644525614 /nfs/dbraw/zinc/52/56/14/644525614.db2.gz AXVBVTAKVGOEKN-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000324474216 641875754 /nfs/dbraw/zinc/87/57/54/641875754.db2.gz AXVBVTAKVGOEKN-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000324489984 582583829 /nfs/dbraw/zinc/58/38/29/582583829.db2.gz DLFZZMIXVLVFLC-GWCFXTLKSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000324489985 582584037 /nfs/dbraw/zinc/58/40/37/582584037.db2.gz DLFZZMIXVLVFLC-GXFFZTMASA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000324489986 582584180 /nfs/dbraw/zinc/58/41/80/582584180.db2.gz DLFZZMIXVLVFLC-MFKMUULPSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000324489987 582583906 /nfs/dbraw/zinc/58/39/06/582583906.db2.gz DLFZZMIXVLVFLC-ZWNOBZJWSA-N 1 0 223.385 3.833 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)C1CC1 ZINC000324491594 387284377 /nfs/dbraw/zinc/28/43/77/387284377.db2.gz QFWQXRQZICCCSG-CVEARBPZSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)C1CC1 ZINC000324491595 387284437 /nfs/dbraw/zinc/28/44/37/387284437.db2.gz QFWQXRQZICCCSG-HOTGVXAUSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](CC)C1CC1 ZINC000324491596 387283638 /nfs/dbraw/zinc/28/36/38/387283638.db2.gz QFWQXRQZICCCSG-HZPDHXFCSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)Cc1ccccc1)C1CC1 ZINC000324491597 387283866 /nfs/dbraw/zinc/28/38/66/387283866.db2.gz QFWQXRQZICCCSG-JKSUJKDBSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000324498548 388382843 /nfs/dbraw/zinc/38/28/43/388382843.db2.gz RIWOPUJMIQJERG-BPNCWPANSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000324498549 388383390 /nfs/dbraw/zinc/38/33/90/388383390.db2.gz RIWOPUJMIQJERG-GDLCADMTSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000324498550 326416543 /nfs/dbraw/zinc/41/65/43/326416543.db2.gz RIWOPUJMIQJERG-HONMWMINSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000324498551 388383263 /nfs/dbraw/zinc/38/32/63/388383263.db2.gz RIWOPUJMIQJERG-SWHYSGLUSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508983 487623622 /nfs/dbraw/zinc/62/36/22/487623622.db2.gz TWBNYNDOKCBHPP-PELKAZGASA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508984 487623752 /nfs/dbraw/zinc/62/37/52/487623752.db2.gz TWBNYNDOKCBHPP-PRHODGIISA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508985 487623474 /nfs/dbraw/zinc/62/34/74/487623474.db2.gz TWBNYNDOKCBHPP-QPUJVOFHSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508986 487624068 /nfs/dbraw/zinc/62/40/68/487624068.db2.gz TWBNYNDOKCBHPP-UFBFGSQYSA-N 1 0 238.400 3.599 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC000324519007 487625177 /nfs/dbraw/zinc/62/51/77/487625177.db2.gz KBCMIRINZMZZSY-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CC1 ZINC000324519009 487624554 /nfs/dbraw/zinc/62/45/54/487624554.db2.gz KBCMIRINZMZZSY-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000324519011 487625169 /nfs/dbraw/zinc/62/51/69/487625169.db2.gz KBCMIRINZMZZSY-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000324519013 487625238 /nfs/dbraw/zinc/62/52/38/487625238.db2.gz KBCMIRINZMZZSY-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000324526356 641877992 /nfs/dbraw/zinc/87/79/92/641877992.db2.gz LKNDXZNREVPRRR-AAEUAGOBSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000324526357 641878701 /nfs/dbraw/zinc/87/87/01/641878701.db2.gz LKNDXZNREVPRRR-DGCLKSJQSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000324526358 641878513 /nfs/dbraw/zinc/87/85/13/641878513.db2.gz LKNDXZNREVPRRR-WCQYABFASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000324526359 641878950 /nfs/dbraw/zinc/87/89/50/641878950.db2.gz LKNDXZNREVPRRR-YPMHNXCESA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cc(C[NH2+][C@H](C(C)C)C2CC2)cs1 ZINC000324555268 487556085 /nfs/dbraw/zinc/55/60/85/487556085.db2.gz QROINGBDJUJLKM-CYBMUJFWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C(C)C)C2CC2)cs1 ZINC000324555270 487556006 /nfs/dbraw/zinc/55/60/06/487556006.db2.gz QROINGBDJUJLKM-ZDUSSCGKSA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccsc1)C1CC1 ZINC000324555811 487628866 /nfs/dbraw/zinc/62/88/66/487628866.db2.gz QUIGQEHNPMNXMY-GWCFXTLKSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccsc1)C1CC1 ZINC000324555812 487628857 /nfs/dbraw/zinc/62/88/57/487628857.db2.gz QUIGQEHNPMNXMY-GXFFZTMASA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)c1ccsc1)C1CC1 ZINC000324555813 487629203 /nfs/dbraw/zinc/62/92/03/487629203.db2.gz QUIGQEHNPMNXMY-MFKMUULPSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)c1ccsc1)C1CC1 ZINC000324555814 487629010 /nfs/dbraw/zinc/62/90/10/487629010.db2.gz QUIGQEHNPMNXMY-ZWNOBZJWSA-N 1 0 223.385 3.833 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccoc1 ZINC000324567141 388384288 /nfs/dbraw/zinc/38/42/88/388384288.db2.gz BUZXZLSCRWZZMF-HZMBPMFUSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccoc1 ZINC000324567142 388384933 /nfs/dbraw/zinc/38/49/33/388384933.db2.gz BUZXZLSCRWZZMF-IINYFYTJSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccoc1 ZINC000324567143 326417367 /nfs/dbraw/zinc/41/73/67/326417367.db2.gz BUZXZLSCRWZZMF-QMTHXVAHSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccoc1 ZINC000324567144 388384185 /nfs/dbraw/zinc/38/41/85/388384185.db2.gz BUZXZLSCRWZZMF-YGRLFVJLSA-N 1 0 219.328 3.509 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000324578643 326417491 /nfs/dbraw/zinc/41/74/91/326417491.db2.gz WWVLBSKYAGVCRY-CXOKCQFOSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000324579085 326417430 /nfs/dbraw/zinc/41/74/30/326417430.db2.gz WWVLBSKYAGVCRY-FSNWXROXSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000324579087 388385718 /nfs/dbraw/zinc/38/57/18/388385718.db2.gz WWVLBSKYAGVCRY-HWYHOQROSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000324579089 326417315 /nfs/dbraw/zinc/41/73/15/326417315.db2.gz WWVLBSKYAGVCRY-YXMGTMDOSA-N 1 0 229.367 3.724 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000324586266 487633448 /nfs/dbraw/zinc/63/34/48/487633448.db2.gz YMKICJAJUCAXOI-CYBMUJFWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324586268 487633171 /nfs/dbraw/zinc/63/31/71/487633171.db2.gz YMKICJAJUCAXOI-ZDUSSCGKSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cc(C[NH2+][C@H](C2CC2)C2CCC2)cs1 ZINC000324638980 387489073 /nfs/dbraw/zinc/48/90/73/387489073.db2.gz IDAULONCYJQRCJ-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cs1 ZINC000324638981 387489039 /nfs/dbraw/zinc/48/90/39/387489039.db2.gz IDAULONCYJQRCJ-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccco1 ZINC000324662712 387499154 /nfs/dbraw/zinc/49/91/54/387499154.db2.gz LJDLTZNIPLZMPM-HZMBPMFUSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccco1 ZINC000324662713 387498115 /nfs/dbraw/zinc/49/81/15/387498115.db2.gz LJDLTZNIPLZMPM-IINYFYTJSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccco1 ZINC000324662714 387498468 /nfs/dbraw/zinc/49/84/68/387498468.db2.gz LJDLTZNIPLZMPM-QMTHXVAHSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccco1 ZINC000324662715 387498744 /nfs/dbraw/zinc/49/87/44/387498744.db2.gz LJDLTZNIPLZMPM-YGRLFVJLSA-N 1 0 219.328 3.509 20 0 BHADRO CCC[C@H]([NH2+]C1CCC(OC)CC1)C1CCC1 ZINC000324683356 323260574 /nfs/dbraw/zinc/26/05/74/323260574.db2.gz RRIKNKBOKDPVPA-NRXISQOPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC(OC)CC1)C1CCC1 ZINC000324683358 323260661 /nfs/dbraw/zinc/26/06/61/323260661.db2.gz RRIKNKBOKDPVPA-YMAMQOFZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnn(C(C)C)c1)C1CCC1 ZINC000324690437 262794583 /nfs/dbraw/zinc/79/45/83/262794583.db2.gz URJSBPLQUGBEEK-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnn(C(C)C)c1)C1CCC1 ZINC000324690438 387503479 /nfs/dbraw/zinc/50/34/79/387503479.db2.gz URJSBPLQUGBEEK-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000324693660 323262736 /nfs/dbraw/zinc/26/27/36/323262736.db2.gz VTUJDJLEMCAPNQ-AYRXBEOTSA-N 1 0 239.403 3.501 20 0 BHADRO CCC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C1CCC1 ZINC000324693661 350311352 /nfs/dbraw/zinc/31/13/52/350311352.db2.gz VTUJDJLEMCAPNQ-HUBLWGQQSA-N 1 0 239.403 3.501 20 0 BHADRO CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000324693662 350311387 /nfs/dbraw/zinc/31/13/87/350311387.db2.gz VTUJDJLEMCAPNQ-JMSVASOKSA-N 1 0 239.403 3.501 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000324693663 323262772 /nfs/dbraw/zinc/26/27/72/323262772.db2.gz VTUJDJLEMCAPNQ-NEBZKDRISA-N 1 0 239.403 3.501 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncn1C(C)C)C1CCC1 ZINC000324697180 323262775 /nfs/dbraw/zinc/26/27/75/323262775.db2.gz WZIXNKDMYYCNNX-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncn1C(C)C)C1CCC1 ZINC000324697181 323262817 /nfs/dbraw/zinc/26/28/17/323262817.db2.gz WZIXNKDMYYCNNX-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)o1 ZINC000324709440 323268156 /nfs/dbraw/zinc/26/81/56/323268156.db2.gz BWVYPTUQQZALKJ-ABAIWWIYSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)o1 ZINC000324709443 323268035 /nfs/dbraw/zinc/26/80/35/323268035.db2.gz BWVYPTUQQZALKJ-IAQYHMDHSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)o1 ZINC000324709446 323268367 /nfs/dbraw/zinc/26/83/67/323268367.db2.gz BWVYPTUQQZALKJ-NHYWBVRUSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)o1 ZINC000324709450 323268206 /nfs/dbraw/zinc/26/82/06/323268206.db2.gz BWVYPTUQQZALKJ-XHDPSFHLSA-N 1 0 233.355 3.817 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)o1 ZINC000324713574 323269182 /nfs/dbraw/zinc/26/91/82/323269182.db2.gz CPUXQOVGUIGKAA-HNNXBMFYSA-N 1 0 233.355 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)o1 ZINC000324713575 323268957 /nfs/dbraw/zinc/26/89/57/323268957.db2.gz CPUXQOVGUIGKAA-OAHLLOKOSA-N 1 0 233.355 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCC1 ZINC000324716838 641986159 /nfs/dbraw/zinc/98/61/59/641986159.db2.gz DKNFXOBSWIKYHA-HNNXBMFYSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCC1 ZINC000324716840 641985730 /nfs/dbraw/zinc/98/57/30/641985730.db2.gz DKNFXOBSWIKYHA-OAHLLOKOSA-N 1 0 242.366 3.836 20 0 BHADRO Cc1cc(NC(C2CCC2)C2CCC2)cc[nH+]1 ZINC000324759865 350310531 /nfs/dbraw/zinc/31/05/31/350310531.db2.gz XXTXTDZVEVSVIY-UHFFFAOYSA-N 1 0 230.355 3.771 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324764294 642597592 /nfs/dbraw/zinc/59/75/92/642597592.db2.gz BECXKECMJSPQMM-CYBMUJFWSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000324764296 642598265 /nfs/dbraw/zinc/59/82/65/642598265.db2.gz BECXKECMJSPQMM-ZDUSSCGKSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324789570 323282906 /nfs/dbraw/zinc/28/29/06/323282906.db2.gz JMGPUOZWKSQFSV-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324789571 323282506 /nfs/dbraw/zinc/28/25/06/323282506.db2.gz JMGPUOZWKSQFSV-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO Clc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)o1 ZINC000324792729 323283785 /nfs/dbraw/zinc/28/37/85/323283785.db2.gz KMDOGXRMQCJNSK-CYBMUJFWSA-N 1 0 239.746 3.601 20 0 BHADRO Clc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)o1 ZINC000324792732 323283260 /nfs/dbraw/zinc/28/32/60/323283260.db2.gz KMDOGXRMQCJNSK-ZDUSSCGKSA-N 1 0 239.746 3.601 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000324799118 323284255 /nfs/dbraw/zinc/28/42/55/323284255.db2.gz OPESXZRNEYSCAI-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000324799119 323284023 /nfs/dbraw/zinc/28/40/23/323284023.db2.gz OPESXZRNEYSCAI-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000324799120 323284000 /nfs/dbraw/zinc/28/40/00/323284000.db2.gz OPESXZRNEYSCAI-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000324799121 323284184 /nfs/dbraw/zinc/28/41/84/323284184.db2.gz OPESXZRNEYSCAI-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C1CCC1 ZINC000324807741 487648868 /nfs/dbraw/zinc/64/88/68/487648868.db2.gz ORLROXWXKSIJOY-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C1CCC1 ZINC000324807742 487649492 /nfs/dbraw/zinc/64/94/92/487649492.db2.gz ORLROXWXKSIJOY-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C1CCC1 ZINC000324807743 487648735 /nfs/dbraw/zinc/64/87/35/487648735.db2.gz ORLROXWXKSIJOY-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C1CCC1 ZINC000324807744 487649485 /nfs/dbraw/zinc/64/94/85/487649485.db2.gz ORLROXWXKSIJOY-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccsc1 ZINC000324808203 387525942 /nfs/dbraw/zinc/52/59/42/387525942.db2.gz OTUZTGWCXAWMDW-HZMBPMFUSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccsc1 ZINC000324808204 387526363 /nfs/dbraw/zinc/52/63/63/387526363.db2.gz OTUZTGWCXAWMDW-IINYFYTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccsc1 ZINC000324808205 387526689 /nfs/dbraw/zinc/52/66/89/387526689.db2.gz OTUZTGWCXAWMDW-QMTHXVAHSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccsc1 ZINC000324808206 387525256 /nfs/dbraw/zinc/52/52/56/387525256.db2.gz OTUZTGWCXAWMDW-YGRLFVJLSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324812356 262795929 /nfs/dbraw/zinc/79/59/29/262795929.db2.gz PTMAGWZBIMFFBJ-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324812357 387527830 /nfs/dbraw/zinc/52/78/30/387527830.db2.gz PTMAGWZBIMFFBJ-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cccs1 ZINC000324813314 387524129 /nfs/dbraw/zinc/52/41/29/387524129.db2.gz QAQBDNDJNAPZDV-HZMBPMFUSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cccs1 ZINC000324813315 387524295 /nfs/dbraw/zinc/52/42/95/387524295.db2.gz QAQBDNDJNAPZDV-IINYFYTJSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cccs1 ZINC000324813316 387524325 /nfs/dbraw/zinc/52/43/25/387524325.db2.gz QAQBDNDJNAPZDV-QMTHXVAHSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cccs1 ZINC000324813317 262795955 /nfs/dbraw/zinc/79/59/55/262795955.db2.gz QAQBDNDJNAPZDV-YGRLFVJLSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)C1CCC1 ZINC000324821336 642770034 /nfs/dbraw/zinc/77/00/34/642770034.db2.gz SGHKDIPZQZEAEQ-CABCVRRESA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2cccnc21)C1CCC1 ZINC000324821337 642770970 /nfs/dbraw/zinc/77/09/70/642770970.db2.gz SGHKDIPZQZEAEQ-GJZGRUSLSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C1CCC1 ZINC000324821338 642769075 /nfs/dbraw/zinc/76/90/75/642769075.db2.gz SGHKDIPZQZEAEQ-HUUCEWRRSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)C1CCC1 ZINC000324821339 642770436 /nfs/dbraw/zinc/77/04/36/642770436.db2.gz SGHKDIPZQZEAEQ-LSDHHAIUSA-N 1 0 244.382 3.627 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000324826336 387530993 /nfs/dbraw/zinc/53/09/93/387530993.db2.gz UDRJCBBVCZBBFS-DOMZBBRYSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000324826337 387529807 /nfs/dbraw/zinc/52/98/07/387529807.db2.gz UDRJCBBVCZBBFS-IUODEOHRSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000324826338 387530411 /nfs/dbraw/zinc/53/04/11/387530411.db2.gz UDRJCBBVCZBBFS-SWLSCSKDSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000324826339 387529524 /nfs/dbraw/zinc/52/95/24/387529524.db2.gz UDRJCBBVCZBBFS-WFASDCNBSA-N 1 0 219.372 3.511 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCC1 ZINC000324838400 387533774 /nfs/dbraw/zinc/53/37/74/387533774.db2.gz CLVPTZIXMBGHQC-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCC1 ZINC000324838402 387533793 /nfs/dbraw/zinc/53/37/93/387533793.db2.gz CLVPTZIXMBGHQC-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCC1 ZINC000324838404 387535214 /nfs/dbraw/zinc/53/52/14/387535214.db2.gz CLVPTZIXMBGHQC-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCC1 ZINC000324838405 387534924 /nfs/dbraw/zinc/53/49/24/387534924.db2.gz CLVPTZIXMBGHQC-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cscn1)C1CCC1 ZINC000324843570 388124676 /nfs/dbraw/zinc/12/46/76/388124676.db2.gz XGPLCFWJQZKSPF-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cscn1)C1CCC1 ZINC000324843571 388124721 /nfs/dbraw/zinc/12/47/21/388124721.db2.gz XGPLCFWJQZKSPF-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cscn1)C1CCC1 ZINC000324843574 388124812 /nfs/dbraw/zinc/12/48/12/388124812.db2.gz XGPLCFWJQZKSPF-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cscn1)C1CCC1 ZINC000324843576 388125113 /nfs/dbraw/zinc/12/51/13/388125113.db2.gz XGPLCFWJQZKSPF-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CCC1 ZINC000324845887 387538215 /nfs/dbraw/zinc/53/82/15/387538215.db2.gz XQHZMIXWJMTJSB-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCCSC1)C1CCC1 ZINC000324845888 262796499 /nfs/dbraw/zinc/79/64/99/262796499.db2.gz XQHZMIXWJMTJSB-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCCSC1)C1CCC1 ZINC000324845891 387538337 /nfs/dbraw/zinc/53/83/37/387538337.db2.gz XQHZMIXWJMTJSB-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCCSC1)C1CCC1 ZINC000324845893 387538500 /nfs/dbraw/zinc/53/85/00/387538500.db2.gz XQHZMIXWJMTJSB-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)s1 ZINC000324845927 387539154 /nfs/dbraw/zinc/53/91/54/387539154.db2.gz XQTCKDGWBWRGKY-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)s1 ZINC000324845929 387538619 /nfs/dbraw/zinc/53/86/19/387538619.db2.gz XQTCKDGWBWRGKY-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C1CCC1 ZINC000324853671 262796824 /nfs/dbraw/zinc/79/68/24/262796824.db2.gz YWPAMERGQUNTGI-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C1CCC1 ZINC000324853672 398324173 /nfs/dbraw/zinc/32/41/73/398324173.db2.gz YWPAMERGQUNTGI-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C1CCC1 ZINC000324853675 262796805 /nfs/dbraw/zinc/79/68/05/262796805.db2.gz YWPAMERGQUNTGI-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C1CCC1 ZINC000324853677 398324015 /nfs/dbraw/zinc/32/40/15/398324015.db2.gz YWPAMERGQUNTGI-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCc2cccnc21)C1CCC1 ZINC000324875925 642876909 /nfs/dbraw/zinc/87/69/09/642876909.db2.gz CUGNSMHCDJRQBM-CABCVRRESA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCc2cccnc21)C1CCC1 ZINC000324875927 642876464 /nfs/dbraw/zinc/87/64/64/642876464.db2.gz CUGNSMHCDJRQBM-GJZGRUSLSA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCc2cccnc21)C1CCC1 ZINC000324875930 642876555 /nfs/dbraw/zinc/87/65/55/642876555.db2.gz CUGNSMHCDJRQBM-HUUCEWRRSA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCc2cccnc21)C1CCC1 ZINC000324875932 642876861 /nfs/dbraw/zinc/87/68/61/642876861.db2.gz CUGNSMHCDJRQBM-LSDHHAIUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1ccoc1 ZINC000324886083 350314891 /nfs/dbraw/zinc/31/48/91/350314891.db2.gz FKSXSAOGRIITGU-LLVKDONJSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1ccoc1 ZINC000324886085 350314599 /nfs/dbraw/zinc/31/45/99/350314599.db2.gz FKSXSAOGRIITGU-NSHDSACASA-N 1 0 233.355 3.899 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)C1CCC1 ZINC000324894853 323301056 /nfs/dbraw/zinc/30/10/56/323301056.db2.gz NAHFNALWVDVQCB-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)c1ccccc1)C1CCC1 ZINC000324894855 323300941 /nfs/dbraw/zinc/30/09/41/323300941.db2.gz NAHFNALWVDVQCB-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)C1CCC1 ZINC000324894857 323300823 /nfs/dbraw/zinc/30/08/23/323300823.db2.gz NAHFNALWVDVQCB-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)C1CCC1 ZINC000324894859 323301064 /nfs/dbraw/zinc/30/10/64/323301064.db2.gz NAHFNALWVDVQCB-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(CC)cn1)C1CCC1 ZINC000324902922 323301786 /nfs/dbraw/zinc/30/17/86/323301786.db2.gz OJEPVORXPUDISZ-INIZCTEOSA-N 1 0 246.398 3.702 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(CC)cn1)C1CCC1 ZINC000324902924 323301632 /nfs/dbraw/zinc/30/16/32/323301632.db2.gz OJEPVORXPUDISZ-MRXNPFEDSA-N 1 0 246.398 3.702 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324918031 356462805 /nfs/dbraw/zinc/46/28/05/356462805.db2.gz KXHARAWNVPCILC-BLLLJJGKSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000324918032 350312288 /nfs/dbraw/zinc/31/22/88/350312288.db2.gz KXHARAWNVPCILC-LRDDRELGSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324918033 350312301 /nfs/dbraw/zinc/31/23/01/350312301.db2.gz KXHARAWNVPCILC-MLGOLLRUSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000324918034 350312145 /nfs/dbraw/zinc/31/21/45/350312145.db2.gz KXHARAWNVPCILC-WBMJQRKESA-N 1 0 247.382 3.769 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccn(C(C)C)n1)C1CCC1 ZINC000324920183 323304150 /nfs/dbraw/zinc/30/41/50/323304150.db2.gz RQDXEZXLCJLBBF-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)C1CCC1 ZINC000324920185 323304287 /nfs/dbraw/zinc/30/42/87/323304287.db2.gz RQDXEZXLCJLBBF-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CCC1 ZINC000324930243 487642655 /nfs/dbraw/zinc/64/26/55/487642655.db2.gz NKLZWGJMSOIDJR-LLVKDONJSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(Cl)o1)C1CCC1 ZINC000324930245 487642721 /nfs/dbraw/zinc/64/27/21/487642721.db2.gz NKLZWGJMSOIDJR-NSHDSACASA-N 1 0 227.735 3.601 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324939566 386699899 /nfs/dbraw/zinc/69/98/99/386699899.db2.gz XARRJXQQBBKEIV-GWCFXTLKSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324939567 386700007 /nfs/dbraw/zinc/70/00/07/386700007.db2.gz XARRJXQQBBKEIV-GXFFZTMASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324939568 386699271 /nfs/dbraw/zinc/69/92/71/386699271.db2.gz XARRJXQQBBKEIV-MFKMUULPSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324939569 262798108 /nfs/dbraw/zinc/79/81/08/262798108.db2.gz XARRJXQQBBKEIV-ZWNOBZJWSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCC1 ZINC000324943224 386694718 /nfs/dbraw/zinc/69/47/18/386694718.db2.gz YDWOVKRJDZXGAB-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCC1 ZINC000324943225 262797425 /nfs/dbraw/zinc/79/74/25/262797425.db2.gz YDWOVKRJDZXGAB-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCC1 ZINC000324943226 386694740 /nfs/dbraw/zinc/69/47/40/386694740.db2.gz YDWOVKRJDZXGAB-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCC1 ZINC000324943227 386694763 /nfs/dbraw/zinc/69/47/63/386694763.db2.gz YDWOVKRJDZXGAB-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCC1 ZINC000324943300 386694504 /nfs/dbraw/zinc/69/45/04/386694504.db2.gz YHCXOPRKVWSJKF-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCC1 ZINC000324943301 386693804 /nfs/dbraw/zinc/69/38/04/386693804.db2.gz YHCXOPRKVWSJKF-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCC1 ZINC000324943302 386694311 /nfs/dbraw/zinc/69/43/11/386694311.db2.gz YHCXOPRKVWSJKF-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCC1 ZINC000324943303 386693893 /nfs/dbraw/zinc/69/38/93/386693893.db2.gz YHCXOPRKVWSJKF-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(COC)cc1)C1CCC1 ZINC000324965778 386703587 /nfs/dbraw/zinc/70/35/87/386703587.db2.gz YMTPYPPIXPZDGJ-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(COC)cc1)C1CCC1 ZINC000324965779 386702220 /nfs/dbraw/zinc/70/22/20/386702220.db2.gz YMTPYPPIXPZDGJ-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324973120 386707590 /nfs/dbraw/zinc/70/75/90/386707590.db2.gz QFTFSAWCHVZYBB-GDBMZVCRSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324973122 386706943 /nfs/dbraw/zinc/70/69/43/386706943.db2.gz QFTFSAWCHVZYBB-GOEBONIOSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H](C1CC1)C1CCC1 ZINC000324973124 262799329 /nfs/dbraw/zinc/79/93/29/262799329.db2.gz QFTFSAWCHVZYBB-HOCLYGCPSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H](C1CC1)C1CCC1 ZINC000324973125 386707786 /nfs/dbraw/zinc/70/77/86/386707786.db2.gz QFTFSAWCHVZYBB-ZBFHGGJFSA-N 1 0 245.366 3.825 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324974435 386705929 /nfs/dbraw/zinc/70/59/29/386705929.db2.gz PCXZKAFGJBUXDV-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324974436 386706012 /nfs/dbraw/zinc/70/60/12/386706012.db2.gz PCXZKAFGJBUXDV-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324974437 386706758 /nfs/dbraw/zinc/70/67/58/386706758.db2.gz PCXZKAFGJBUXDV-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324974438 386705921 /nfs/dbraw/zinc/70/59/21/386705921.db2.gz PCXZKAFGJBUXDV-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+]C(C1CCC1)C1CCC1 ZINC000324974958 388392143 /nfs/dbraw/zinc/39/21/43/388392143.db2.gz QTPXYJSRVAHVQW-RRFJBIMHSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+]C(C1CCC1)C1CCC1 ZINC000324975275 326419637 /nfs/dbraw/zinc/41/96/37/326419637.db2.gz QTPXYJSRVAHVQW-ZNMIVQPWSA-N 1 0 233.399 3.733 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCF)C1CCC1 ZINC000325034981 262800061 /nfs/dbraw/zinc/80/00/61/262800061.db2.gz NJWLPPNGDYFZBP-CYBMUJFWSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@H]([NH2+]CCCCCF)C1CCC1 ZINC000325034982 262799505 /nfs/dbraw/zinc/79/95/05/262799505.db2.gz NJWLPPNGDYFZBP-ZDUSSCGKSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC000325086939 487610619 /nfs/dbraw/zinc/61/06/19/487610619.db2.gz INUHCTRAWITFQA-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC000325086940 487610675 /nfs/dbraw/zinc/61/06/75/487610675.db2.gz INUHCTRAWITFQA-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000325086941 487611041 /nfs/dbraw/zinc/61/10/41/487611041.db2.gz INUHCTRAWITFQA-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000325086942 487610669 /nfs/dbraw/zinc/61/06/69/487610669.db2.gz INUHCTRAWITFQA-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC000325089920 487610471 /nfs/dbraw/zinc/61/04/71/487610471.db2.gz KMYNRULHYTVCNW-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000325089921 487610452 /nfs/dbraw/zinc/61/04/52/487610452.db2.gz KMYNRULHYTVCNW-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC000325089922 487610624 /nfs/dbraw/zinc/61/06/24/487610624.db2.gz KMYNRULHYTVCNW-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000325089923 487610697 /nfs/dbraw/zinc/61/06/97/487610697.db2.gz KMYNRULHYTVCNW-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000327621124 323202852 /nfs/dbraw/zinc/20/28/52/323202852.db2.gz MUQIWEIDPFEPKX-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000327621126 323202821 /nfs/dbraw/zinc/20/28/21/323202821.db2.gz MUQIWEIDPFEPKX-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000327981551 388398085 /nfs/dbraw/zinc/39/80/85/388398085.db2.gz IVOBZTIWICFFQR-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C1=CC[C@H]([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328054480 387823025 /nfs/dbraw/zinc/82/30/25/387823025.db2.gz ZYXXUGHOKYUTLW-KBPBESRZSA-N 1 0 219.372 3.798 20 0 BHADRO C1=CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328054481 323750765 /nfs/dbraw/zinc/75/07/65/323750765.db2.gz ZYXXUGHOKYUTLW-KGLIPLIRSA-N 1 0 219.372 3.798 20 0 BHADRO C1=CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328054482 323750856 /nfs/dbraw/zinc/75/08/56/323750856.db2.gz ZYXXUGHOKYUTLW-UONOGXRCSA-N 1 0 219.372 3.798 20 0 BHADRO C1=CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328054484 387823018 /nfs/dbraw/zinc/82/30/18/387823018.db2.gz ZYXXUGHOKYUTLW-ZIAGYGMSSA-N 1 0 219.372 3.798 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328056917 262901849 /nfs/dbraw/zinc/90/18/49/262901849.db2.gz ASVFCVYRUUQEQZ-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000328056920 387827371 /nfs/dbraw/zinc/82/73/71/387827371.db2.gz ASVFCVYRUUQEQZ-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328057958 387826980 /nfs/dbraw/zinc/82/69/80/387826980.db2.gz AUKFUBTWYPBPSB-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328057960 387826061 /nfs/dbraw/zinc/82/60/61/387826061.db2.gz AUKFUBTWYPBPSB-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO C([NH2+][C@H]1CCCC12CCCC2)C1CCCC1 ZINC000328066501 387846392 /nfs/dbraw/zinc/84/63/92/387846392.db2.gz CSAXNBNEYLPEGQ-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCCC2)C1CCCC1 ZINC000328066503 323763680 /nfs/dbraw/zinc/76/36/80/323763680.db2.gz CSAXNBNEYLPEGQ-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cccc(O)c1Cl ZINC000328078306 387865557 /nfs/dbraw/zinc/86/55/57/387865557.db2.gz BBEGPEMTZXOWPR-UHFFFAOYSA-N 1 0 241.762 3.714 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328080614 323773866 /nfs/dbraw/zinc/77/38/66/323773866.db2.gz GQEAJANGNCUMMW-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328080616 323774207 /nfs/dbraw/zinc/77/42/07/323774207.db2.gz GQEAJANGNCUMMW-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328080618 387863787 /nfs/dbraw/zinc/86/37/87/387863787.db2.gz GQEAJANGNCUMMW-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328080620 323773824 /nfs/dbraw/zinc/77/38/24/323773824.db2.gz GQEAJANGNCUMMW-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO COCCCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328101511 387871525 /nfs/dbraw/zinc/87/15/25/387871525.db2.gz LFPVGXKJVBLVDA-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO COCCCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328101512 262907766 /nfs/dbraw/zinc/90/77/66/262907766.db2.gz LFPVGXKJVBLVDA-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[NH2+][C@H]1CCCC12CCCC2)CC1CC1 ZINC000328116141 350374169 /nfs/dbraw/zinc/37/41/69/350374169.db2.gz PGDVRHLWANONLC-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(C[NH2+][C@@H]1CCCC12CCCC2)CC1CC1 ZINC000328116147 350374445 /nfs/dbraw/zinc/37/44/45/350374445.db2.gz PGDVRHLWANONLC-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO C1CCC2(C1)CCC[C@H]2[NH2+]C1CCSCC1 ZINC000328120657 200722247 /nfs/dbraw/zinc/72/22/47/200722247.db2.gz QVYSPGZNBPRMTD-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCC[C@@H]2[NH2+]C1CCSCC1 ZINC000328120659 188159532 /nfs/dbraw/zinc/15/95/32/188159532.db2.gz QVYSPGZNBPRMTD-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328124429 323806012 /nfs/dbraw/zinc/80/60/12/323806012.db2.gz SMBKUPYHRLWVRS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000328124432 323805935 /nfs/dbraw/zinc/80/59/35/323805935.db2.gz SMBKUPYHRLWVRS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000328125652 387911356 /nfs/dbraw/zinc/91/13/56/387911356.db2.gz TYQXLZPIUJYZGN-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000328125653 387910326 /nfs/dbraw/zinc/91/03/26/387910326.db2.gz TYQXLZPIUJYZGN-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000328125654 387910138 /nfs/dbraw/zinc/91/01/38/387910138.db2.gz TYQXLZPIUJYZGN-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000328125655 387910017 /nfs/dbraw/zinc/91/00/17/387910017.db2.gz TYQXLZPIUJYZGN-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000328126910 387911306 /nfs/dbraw/zinc/91/13/06/387911306.db2.gz UPCFURWEVZLQFH-AWEZNQCLSA-N 1 0 249.423 3.993 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000328126911 387911680 /nfs/dbraw/zinc/91/16/80/387911680.db2.gz UPCFURWEVZLQFH-CQSZACIVSA-N 1 0 249.423 3.993 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328127411 387911459 /nfs/dbraw/zinc/91/14/59/387911459.db2.gz UWJCIDDMFBRXQU-CYBMUJFWSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328127412 387911369 /nfs/dbraw/zinc/91/13/69/387911369.db2.gz UWJCIDDMFBRXQU-ZDUSSCGKSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)OCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328147943 167223929 /nfs/dbraw/zinc/22/39/29/167223929.db2.gz DLCKKMBYBUIKEO-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328147946 167222212 /nfs/dbraw/zinc/22/22/12/167222212.db2.gz DLCKKMBYBUIKEO-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000328149449 388549515 /nfs/dbraw/zinc/54/95/15/388549515.db2.gz DVRDQVPFDRPBOP-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000328149450 188081530 /nfs/dbraw/zinc/08/15/30/188081530.db2.gz DVRDQVPFDRPBOP-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000328149451 188437692 /nfs/dbraw/zinc/43/76/92/188437692.db2.gz DVRDQVPFDRPBOP-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C1CCC2(C1)CCC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000328149452 187392277 /nfs/dbraw/zinc/39/22/77/187392277.db2.gz DVRDQVPFDRPBOP-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCCC12CCCC2)C1(C2CC2)CC1 ZINC000328156705 386839725 /nfs/dbraw/zinc/83/97/25/386839725.db2.gz GXZPHHNKQNZMCY-AWEZNQCLSA-N 1 0 233.399 3.879 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCCC2)C1(C2CC2)CC1 ZINC000328156707 386839188 /nfs/dbraw/zinc/83/91/88/386839188.db2.gz GXZPHHNKQNZMCY-CQSZACIVSA-N 1 0 233.399 3.879 20 0 BHADRO CCCCOCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328160486 388558423 /nfs/dbraw/zinc/55/84/23/388558423.db2.gz HVNNDUSGJSPLAT-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCOCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328160487 386976091 /nfs/dbraw/zinc/97/60/91/386976091.db2.gz HVNNDUSGJSPLAT-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328177837 388582366 /nfs/dbraw/zinc/58/23/66/388582366.db2.gz MIRZJHZGYVOIMI-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328177838 388582064 /nfs/dbraw/zinc/58/20/64/388582064.db2.gz MIRZJHZGYVOIMI-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CCCS1 ZINC000328181158 363854682 /nfs/dbraw/zinc/85/46/82/363854682.db2.gz NIFNAAQVTUAIIM-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CCCS1 ZINC000328181160 388582285 /nfs/dbraw/zinc/58/22/85/388582285.db2.gz NIFNAAQVTUAIIM-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CCCS1 ZINC000328181162 388582338 /nfs/dbraw/zinc/58/23/38/388582338.db2.gz NIFNAAQVTUAIIM-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CCCS1 ZINC000328181164 188254861 /nfs/dbraw/zinc/25/48/61/188254861.db2.gz NIFNAAQVTUAIIM-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCC23CCCC3)cs1 ZINC000328187056 183351692 /nfs/dbraw/zinc/35/16/92/183351692.db2.gz OZCIZURCQGORFG-CYBMUJFWSA-N 1 0 235.396 3.951 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCC23CCCC3)cs1 ZINC000328187058 183353749 /nfs/dbraw/zinc/35/37/49/183353749.db2.gz OZCIZURCQGORFG-ZDUSSCGKSA-N 1 0 235.396 3.951 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc(O)c1Cl ZINC000328188038 324223684 /nfs/dbraw/zinc/22/36/84/324223684.db2.gz CEXDJTNQHGPCCF-LLVKDONJSA-N 1 0 241.762 3.714 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc(O)c1Cl ZINC000328188039 324224112 /nfs/dbraw/zinc/22/41/12/324224112.db2.gz CEXDJTNQHGPCCF-NSHDSACASA-N 1 0 241.762 3.714 20 0 BHADRO FC(F)(F)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328191438 324223499 /nfs/dbraw/zinc/22/34/99/324223499.db2.gz QHGSQUABQGJFSR-JTQLQIEISA-N 1 0 235.293 3.641 20 0 BHADRO FC(F)(F)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328191440 324224127 /nfs/dbraw/zinc/22/41/27/324224127.db2.gz QHGSQUABQGJFSR-SNVBAGLBSA-N 1 0 235.293 3.641 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328191964 388586068 /nfs/dbraw/zinc/58/60/68/388586068.db2.gz QJWMZHKUXRJMSG-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328191965 175454274 /nfs/dbraw/zinc/45/42/74/175454274.db2.gz QJWMZHKUXRJMSG-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328194671 633742235 /nfs/dbraw/zinc/74/22/35/633742235.db2.gz QZUAVWUJQDSCST-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000328194672 633741433 /nfs/dbraw/zinc/74/14/33/633741433.db2.gz QZUAVWUJQDSCST-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccn2)cc1 ZINC000328196410 537828510 /nfs/dbraw/zinc/82/85/10/537828510.db2.gz RPCCNZNEURBXMU-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccn2)cc1 ZINC000328196411 537828739 /nfs/dbraw/zinc/82/87/39/537828739.db2.gz RPCCNZNEURBXMU-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328207868 324239040 /nfs/dbraw/zinc/23/90/40/324239040.db2.gz VNZLUYLQXCYWFL-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328207869 324239223 /nfs/dbraw/zinc/23/92/23/324239223.db2.gz VNZLUYLQXCYWFL-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(C)(C)C ZINC000328214763 487630037 /nfs/dbraw/zinc/63/00/37/487630037.db2.gz JPPWLOSQGSKKLE-SECBINFHSA-N 1 0 241.762 3.570 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328222971 487632840 /nfs/dbraw/zinc/63/28/40/487632840.db2.gz APZKFFWWKWHNCG-AVGNSLFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328222972 487632958 /nfs/dbraw/zinc/63/29/58/487632958.db2.gz APZKFFWWKWHNCG-RWMBFGLXSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328222973 487632462 /nfs/dbraw/zinc/63/24/62/487632462.db2.gz APZKFFWWKWHNCG-XQQFMLRXSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328222974 487632341 /nfs/dbraw/zinc/63/23/41/487632341.db2.gz APZKFFWWKWHNCG-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO Cc1cc[nH+]c(NCCC(C)(C)C2CC2)c1 ZINC000328240157 324281169 /nfs/dbraw/zinc/28/11/69/324281169.db2.gz BBQPCDNJPTVYHO-UHFFFAOYSA-N 1 0 218.344 3.628 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)C1(C)CC1 ZINC000328242860 324305099 /nfs/dbraw/zinc/30/50/99/324305099.db2.gz BXNOULQOTJNSMG-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)C1(C)CC1 ZINC000328242862 324304863 /nfs/dbraw/zinc/30/48/63/324304863.db2.gz BXNOULQOTJNSMG-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1C ZINC000328258138 324336887 /nfs/dbraw/zinc/33/68/87/324336887.db2.gz QSOAGVPDUAFUOS-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cc1C ZINC000328258139 324336782 /nfs/dbraw/zinc/33/67/82/324336782.db2.gz QSOAGVPDUAFUOS-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1C ZINC000328258140 324336839 /nfs/dbraw/zinc/33/68/39/324336839.db2.gz QSOAGVPDUAFUOS-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)cc1C ZINC000328258141 324336910 /nfs/dbraw/zinc/33/69/10/324336910.db2.gz QSOAGVPDUAFUOS-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cccc(O)c1Cl ZINC000328260401 324339302 /nfs/dbraw/zinc/33/93/02/324339302.db2.gz MXJOGJFMHVOXII-UHFFFAOYSA-N 1 0 241.762 3.714 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328268659 324368096 /nfs/dbraw/zinc/36/80/96/324368096.db2.gz NDHRXGPDFQVBGN-AWEZNQCLSA-N 1 0 233.355 3.791 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328268661 324368127 /nfs/dbraw/zinc/36/81/27/324368127.db2.gz NDHRXGPDFQVBGN-CQSZACIVSA-N 1 0 233.355 3.791 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000328268949 324367543 /nfs/dbraw/zinc/36/75/43/324367543.db2.gz WPNUOIUWOMCAKI-UHFFFAOYSA-N 1 0 241.762 3.666 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(C)cc1 ZINC000328289363 363876263 /nfs/dbraw/zinc/87/62/63/363876263.db2.gz BESDFNSUABKFDB-CABCVRRESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(C)cc1 ZINC000328289364 388590072 /nfs/dbraw/zinc/59/00/72/388590072.db2.gz BESDFNSUABKFDB-GJZGRUSLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(C)cc1 ZINC000328289366 170910652 /nfs/dbraw/zinc/91/06/52/170910652.db2.gz BESDFNSUABKFDB-HUUCEWRRSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(C)cc1 ZINC000328289367 171540724 /nfs/dbraw/zinc/54/07/24/171540724.db2.gz BESDFNSUABKFDB-LSDHHAIUSA-N 1 0 247.382 3.603 20 0 BHADRO c1coc(CC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000328312181 388599251 /nfs/dbraw/zinc/59/92/51/388599251.db2.gz XFAUCHAOPCAMGC-AWEZNQCLSA-N 1 0 233.355 3.525 20 0 BHADRO c1coc(CC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000328312187 388599295 /nfs/dbraw/zinc/59/92/95/388599295.db2.gz XFAUCHAOPCAMGC-CQSZACIVSA-N 1 0 233.355 3.525 20 0 BHADRO CCC[NH+](CCC)Cc1cccc(O)c1Cl ZINC000328340187 388615196 /nfs/dbraw/zinc/61/51/96/388615196.db2.gz LYNSTRLURFEUMD-UHFFFAOYSA-N 1 0 241.762 3.668 20 0 BHADRO CCCCCC[NH2+]Cc1cccc(O)c1Cl ZINC000328379049 633760283 /nfs/dbraw/zinc/76/02/83/633760283.db2.gz RJZJSMFNRGHHFO-UHFFFAOYSA-N 1 0 241.762 3.716 20 0 BHADRO CC(C)(CC[NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000328401167 350400060 /nfs/dbraw/zinc/40/00/60/350400060.db2.gz DTNCOAXIOCRNAA-UHFFFAOYSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)OCC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000328401346 633763340 /nfs/dbraw/zinc/76/33/40/633763340.db2.gz RPBKKMORLDDFGH-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)OCC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000328401348 633762237 /nfs/dbraw/zinc/76/22/37/633762237.db2.gz RPBKKMORLDDFGH-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000328404329 324567898 /nfs/dbraw/zinc/56/78/98/324567898.db2.gz FHWRSLABRHBBKU-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000328408704 388642973 /nfs/dbraw/zinc/64/29/73/388642973.db2.gz GKTYUUBJAJAOPK-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000328408705 388642518 /nfs/dbraw/zinc/64/25/18/388642518.db2.gz GKTYUUBJAJAOPK-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(CC[NH2+]Cc1cccc(F)c1)C1CC1 ZINC000328426454 324567552 /nfs/dbraw/zinc/56/75/52/324567552.db2.gz LRFFVAGJGKCKIN-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000328444140 323241981 /nfs/dbraw/zinc/24/19/81/323241981.db2.gz NMBJXMWCXFCEIM-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000328444141 323241987 /nfs/dbraw/zinc/24/19/87/323241987.db2.gz NMBJXMWCXFCEIM-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000328444143 323242097 /nfs/dbraw/zinc/24/20/97/323242097.db2.gz NMBJXMWCXFCEIM-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000328444144 323241926 /nfs/dbraw/zinc/24/19/26/323241926.db2.gz NMBJXMWCXFCEIM-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCc3occc32)cs1 ZINC000328448080 178034139 /nfs/dbraw/zinc/03/41/39/178034139.db2.gz OPMWZKJJNBRUSG-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCc3occc32)cs1 ZINC000328448081 178039957 /nfs/dbraw/zinc/03/99/57/178039957.db2.gz OPMWZKJJNBRUSG-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc(O)c1Cl ZINC000328468197 388415550 /nfs/dbraw/zinc/41/55/50/388415550.db2.gz MGARYTKWJYNRFL-UHFFFAOYSA-N 1 0 241.762 3.524 20 0 BHADRO C[N@H+](Cc1cccc(O)c1Cl)CC(C)(C)C ZINC000328476057 388643632 /nfs/dbraw/zinc/64/36/32/388643632.db2.gz ONSGIUFUBPPMRW-UHFFFAOYSA-N 1 0 241.762 3.524 20 0 BHADRO CCC(CC)C[NH2+]Cc1cccc(O)c1Cl ZINC000328485072 388416493 /nfs/dbraw/zinc/41/64/93/388416493.db2.gz QURBLSUDMARCTP-UHFFFAOYSA-N 1 0 241.762 3.571 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc(O)c1Cl ZINC000328489679 323204161 /nfs/dbraw/zinc/20/41/61/323204161.db2.gz RYHCXNIOOCBUSK-UHFFFAOYSA-N 1 0 241.762 3.571 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccoc1 ZINC000328495759 356426471 /nfs/dbraw/zinc/42/64/71/356426471.db2.gz QCLIUYRHHUBRPL-LLVKDONJSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccoc1 ZINC000328495760 364859049 /nfs/dbraw/zinc/85/90/49/364859049.db2.gz QCLIUYRHHUBRPL-NSHDSACASA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1nccs1 ZINC000328542443 388645095 /nfs/dbraw/zinc/64/50/95/388645095.db2.gz JEYKNBADFGPTBL-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1nccs1 ZINC000328542444 388644987 /nfs/dbraw/zinc/64/49/87/388644987.db2.gz JEYKNBADFGPTBL-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cscn1 ZINC000328543286 350402270 /nfs/dbraw/zinc/40/22/70/350402270.db2.gz KFTGWRGSXZLZRV-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1cscn1 ZINC000328543287 350402325 /nfs/dbraw/zinc/40/23/25/350402325.db2.gz KFTGWRGSXZLZRV-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO Cc1ccoc1C[NH2+]CCC(C)(C)C1CC1 ZINC000328547375 388645329 /nfs/dbraw/zinc/64/53/29/388645329.db2.gz OVRXCXNYVUOLJF-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cncs1 ZINC000328552221 324570724 /nfs/dbraw/zinc/57/07/24/324570724.db2.gz VEEAZTYXVRCXRT-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1cncs1 ZINC000328552222 388645446 /nfs/dbraw/zinc/64/54/46/388645446.db2.gz VEEAZTYXVRCXRT-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C2CC2)s1 ZINC000328558722 324570646 /nfs/dbraw/zinc/57/06/46/324570646.db2.gz CVIJHAYGYHJOTM-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1cccc(NCCC(C)(C)C2CC2)[nH+]1 ZINC000328560628 179144253 /nfs/dbraw/zinc/14/42/53/179144253.db2.gz FURKDJJTYHGRLZ-UHFFFAOYSA-N 1 0 218.344 3.628 20 0 BHADRO CC(C)(CC[NH2+]Cc1cccs1)C1CC1 ZINC000328565529 388645654 /nfs/dbraw/zinc/64/56/54/388645654.db2.gz LQTDKRQFKHNDCH-UHFFFAOYSA-N 1 0 223.385 3.664 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000328566174 324570850 /nfs/dbraw/zinc/57/08/50/324570850.db2.gz MLZBCOHOBACNGX-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000328566175 388645645 /nfs/dbraw/zinc/64/56/45/388645645.db2.gz MLZBCOHOBACNGX-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000328566176 324571036 /nfs/dbraw/zinc/57/10/36/324571036.db2.gz MLZBCOHOBACNGX-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000328566177 388645712 /nfs/dbraw/zinc/64/57/12/388645712.db2.gz MLZBCOHOBACNGX-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccco1 ZINC000328568836 388645638 /nfs/dbraw/zinc/64/56/38/388645638.db2.gz PUBBDTPHTVVDIH-LLVKDONJSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccco1 ZINC000328568837 388645740 /nfs/dbraw/zinc/64/57/40/388645740.db2.gz PUBBDTPHTVVDIH-NSHDSACASA-N 1 0 221.344 3.757 20 0 BHADRO CC(C)(CC[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000328570984 324570714 /nfs/dbraw/zinc/57/07/14/324570714.db2.gz SDEZUIAFUCLLFB-CYBMUJFWSA-N 1 0 221.388 3.759 20 0 BHADRO CC(C)(CC[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000328570985 324570979 /nfs/dbraw/zinc/57/09/79/324570979.db2.gz SDEZUIAFUCLLFB-ZDUSSCGKSA-N 1 0 221.388 3.759 20 0 BHADRO CC(C)(C)CCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000330390390 386701564 /nfs/dbraw/zinc/70/15/64/386701564.db2.gz ONYPRLVANKNYMP-UHFFFAOYSA-N 1 0 240.391 3.640 20 0 BHADRO FC(F)(F)C1CC([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334167714 135324811 /nfs/dbraw/zinc/32/48/11/135324811.db2.gz AQSDLNRAAVAQRC-UHFFFAOYSA-N 1 0 247.304 3.640 20 0 BHADRO C[C@H](c1ccccn1)N1Cc2ccccc2[C@H]1C ZINC000334188859 352778588 /nfs/dbraw/zinc/77/85/88/352778588.db2.gz HJVCAEIFSQEMJZ-CHWSQXEVSA-N 1 0 238.334 3.719 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CCO1 ZINC000334198522 352790454 /nfs/dbraw/zinc/79/04/54/352790454.db2.gz MAGJKYKMCMGBGS-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCCCC2)CCO1 ZINC000334198524 352790882 /nfs/dbraw/zinc/79/08/82/352790882.db2.gz MAGJKYKMCMGBGS-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCCCC2)CCO1 ZINC000334198525 352790462 /nfs/dbraw/zinc/79/04/62/352790462.db2.gz MAGJKYKMCMGBGS-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCCCC2)CCO1 ZINC000334198526 352790825 /nfs/dbraw/zinc/79/08/25/352790825.db2.gz MAGJKYKMCMGBGS-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)o1 ZINC000334219868 352821884 /nfs/dbraw/zinc/82/18/84/352821884.db2.gz GCKJBSCYTVXXSB-GHMZBOCLSA-N 1 0 243.297 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)o1 ZINC000334219870 352822042 /nfs/dbraw/zinc/82/20/42/352822042.db2.gz GCKJBSCYTVXXSB-MNOVXSKESA-N 1 0 243.297 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)o1 ZINC000334219872 352822056 /nfs/dbraw/zinc/82/20/56/352822056.db2.gz GCKJBSCYTVXXSB-QWRGUYRKSA-N 1 0 243.297 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)o1 ZINC000334219873 352821849 /nfs/dbraw/zinc/82/18/49/352821849.db2.gz GCKJBSCYTVXXSB-WDEREUQCSA-N 1 0 243.297 3.817 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000334220185 352821864 /nfs/dbraw/zinc/82/18/64/352821864.db2.gz GPPRQQWGDDYOMY-GXTWGEPZSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000334220186 352821977 /nfs/dbraw/zinc/82/19/77/352821977.db2.gz GPPRQQWGDDYOMY-JSGCOSHPSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000334220187 352821924 /nfs/dbraw/zinc/82/19/24/352821924.db2.gz GPPRQQWGDDYOMY-OCCSQVGLSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000334220189 352822074 /nfs/dbraw/zinc/82/20/74/352822074.db2.gz GPPRQQWGDDYOMY-TZMCWYRMSA-N 1 0 236.359 3.556 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000334245234 352834590 /nfs/dbraw/zinc/83/45/90/352834590.db2.gz RRHKTXBMZIEBDY-NEPJUHHUSA-N 1 0 229.314 3.653 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000334245235 133592878 /nfs/dbraw/zinc/59/28/78/133592878.db2.gz RRHKTXBMZIEBDY-NWDGAFQWSA-N 1 0 229.314 3.653 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000334245236 352834874 /nfs/dbraw/zinc/83/48/74/352834874.db2.gz RRHKTXBMZIEBDY-RYUDHWBXSA-N 1 0 229.314 3.653 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000334245237 352834876 /nfs/dbraw/zinc/83/48/76/352834876.db2.gz RRHKTXBMZIEBDY-VXGBXAGGSA-N 1 0 229.314 3.653 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCCC23CCCC3)o1 ZINC000334248564 384409449 /nfs/dbraw/zinc/40/94/49/384409449.db2.gz QHAKFZUBXAPZRV-CYBMUJFWSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCCC23CCCC3)o1 ZINC000334248568 179611706 /nfs/dbraw/zinc/61/17/06/179611706.db2.gz QHAKFZUBXAPZRV-ZDUSSCGKSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1occc1CN[C@@H]1CSc2ccccc21 ZINC000334257970 352869098 /nfs/dbraw/zinc/86/90/98/352869098.db2.gz QZGGFSPJDACSNS-CYBMUJFWSA-N 1 0 245.347 3.525 20 0 BHADRO Cc1occc1CN[C@H]1CSc2ccccc21 ZINC000334257971 352868725 /nfs/dbraw/zinc/86/87/25/352868725.db2.gz QZGGFSPJDACSNS-ZDUSSCGKSA-N 1 0 245.347 3.525 20 0 BHADRO FC(F)(F)C1CC([NH2+][C@H]2CCC23CCCC3)C1 ZINC000334262161 352894877 /nfs/dbraw/zinc/89/48/77/352894877.db2.gz ZBXZGOQLXWONGM-ILDUYXDCSA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)C1CC([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000334262162 352894771 /nfs/dbraw/zinc/89/47/71/352894771.db2.gz ZBXZGOQLXWONGM-VQXHTEKXSA-N 1 0 247.304 3.640 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC(F)(F)CC2)o1 ZINC000334264356 352898632 /nfs/dbraw/zinc/89/86/32/352898632.db2.gz KYVMYOQZUVKVTM-JTQLQIEISA-N 1 0 243.297 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC(F)(F)CC2)o1 ZINC000334264358 352899029 /nfs/dbraw/zinc/89/90/29/352899029.db2.gz KYVMYOQZUVKVTM-SNVBAGLBSA-N 1 0 243.297 3.817 20 0 BHADRO c1cncc([C@H]2CCC[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000334276247 135332449 /nfs/dbraw/zinc/33/24/49/135332449.db2.gz CNHTXNLBZOOBDA-BBRMVZONSA-N 1 0 244.382 3.640 20 0 BHADRO c1cncc([C@@H]2CCC[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000334276251 135332882 /nfs/dbraw/zinc/33/28/82/135332882.db2.gz CNHTXNLBZOOBDA-CJNGLKHVSA-N 1 0 244.382 3.640 20 0 BHADRO c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CCCC3)C2)c1 ZINC000334276252 135333039 /nfs/dbraw/zinc/33/30/39/135333039.db2.gz CNHTXNLBZOOBDA-CZUORRHYSA-N 1 0 244.382 3.640 20 0 BHADRO c1cncc([C@H]2CCC[C@@H]([NH2+]C3CCCC3)C2)c1 ZINC000334276255 135332511 /nfs/dbraw/zinc/33/25/11/135332511.db2.gz CNHTXNLBZOOBDA-XJKSGUPXSA-N 1 0 244.382 3.640 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000334316678 136225447 /nfs/dbraw/zinc/22/54/47/136225447.db2.gz SWAKUHDHOKFPIG-LLVKDONJSA-N 1 0 229.314 3.653 20 0 BHADRO CC1=CC[C@H]([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000334316679 136225250 /nfs/dbraw/zinc/22/52/50/136225250.db2.gz SWAKUHDHOKFPIG-NSHDSACASA-N 1 0 229.314 3.653 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C(F)F)CC2)s1 ZINC000334329316 135354988 /nfs/dbraw/zinc/35/49/88/135354988.db2.gz NTXUQXPVWDRRQO-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)n1 ZINC000334344433 135365438 /nfs/dbraw/zinc/36/54/38/135365438.db2.gz NNPIEDLHMNWPOF-NEPJUHHUSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)n1 ZINC000334344434 135365393 /nfs/dbraw/zinc/36/53/93/135365393.db2.gz NNPIEDLHMNWPOF-NWDGAFQWSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)n1 ZINC000334344435 135364946 /nfs/dbraw/zinc/36/49/46/135364946.db2.gz NNPIEDLHMNWPOF-RYUDHWBXSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)n1 ZINC000334344436 135365257 /nfs/dbraw/zinc/36/52/57/135365257.db2.gz NNPIEDLHMNWPOF-VXGBXAGGSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)o1 ZINC000334442784 386062675 /nfs/dbraw/zinc/06/26/75/386062675.db2.gz CQGVJJLBVUSMMY-AAEUAGOBSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000334442786 386062686 /nfs/dbraw/zinc/06/26/86/386062686.db2.gz CQGVJJLBVUSMMY-DGCLKSJQSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)o1 ZINC000334442789 386063666 /nfs/dbraw/zinc/06/36/66/386063666.db2.gz CQGVJJLBVUSMMY-WCQYABFASA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000334442792 386062950 /nfs/dbraw/zinc/06/29/50/386062950.db2.gz CQGVJJLBVUSMMY-YPMHNXCESA-N 1 0 248.370 3.556 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccncc1F ZINC000334479491 386169445 /nfs/dbraw/zinc/16/94/45/386169445.db2.gz SCYAVOWDHAAPDL-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccncc1F ZINC000334479492 386168402 /nfs/dbraw/zinc/16/84/02/386168402.db2.gz SCYAVOWDHAAPDL-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO c1nc(C2CCC2)sc1C[N@@H+]1CCC12CCC2 ZINC000334483234 386324126 /nfs/dbraw/zinc/32/41/26/386324126.db2.gz XYFYCVRZYIYHBR-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccncc1F ZINC000334502957 353347906 /nfs/dbraw/zinc/34/79/06/353347906.db2.gz AZNYIGPHLFRQED-BXUZGUMPSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccncc1F ZINC000334502967 133657884 /nfs/dbraw/zinc/65/78/84/133657884.db2.gz AZNYIGPHLFRQED-FZMZJTMJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccncc1F ZINC000334502969 353348030 /nfs/dbraw/zinc/34/80/30/353348030.db2.gz AZNYIGPHLFRQED-RISCZKNCSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccncc1F ZINC000334502972 353348056 /nfs/dbraw/zinc/34/80/56/353348056.db2.gz AZNYIGPHLFRQED-SMDDNHRTSA-N 1 0 248.345 3.594 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(F)(F)C2)cs1 ZINC000334523024 353890830 /nfs/dbraw/zinc/89/08/30/353890830.db2.gz XIQNGYLFZYOAEU-MRVPVSSYSA-N 1 0 231.311 3.505 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(F)(F)C2)cs1 ZINC000334523025 353890962 /nfs/dbraw/zinc/89/09/62/353890962.db2.gz XIQNGYLFZYOAEU-QMMMGPOBSA-N 1 0 231.311 3.505 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000334531213 353909210 /nfs/dbraw/zinc/90/92/10/353909210.db2.gz MLEVQPFHHRUTEB-CABCVRRESA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000334531214 133688878 /nfs/dbraw/zinc/68/88/78/133688878.db2.gz MLEVQPFHHRUTEB-GJZGRUSLSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000334531215 353909698 /nfs/dbraw/zinc/90/96/98/353909698.db2.gz MLEVQPFHHRUTEB-HUUCEWRRSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000334531216 353909440 /nfs/dbraw/zinc/90/94/40/353909440.db2.gz MLEVQPFHHRUTEB-LSDHHAIUSA-N 1 0 249.398 3.567 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000334552165 353993381 /nfs/dbraw/zinc/99/33/81/353993381.db2.gz SKFFYKUSBKRHKR-BBRMVZONSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000334552166 353993421 /nfs/dbraw/zinc/99/34/21/353993421.db2.gz SKFFYKUSBKRHKR-CJNGLKHVSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000334552167 353993622 /nfs/dbraw/zinc/99/36/22/353993622.db2.gz SKFFYKUSBKRHKR-CZUORRHYSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000334552168 353993116 /nfs/dbraw/zinc/99/31/16/353993116.db2.gz SKFFYKUSBKRHKR-XJKSGUPXSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cncc(F)c1 ZINC000334590176 354220040 /nfs/dbraw/zinc/22/00/40/354220040.db2.gz GMYBSWLMHOHXNV-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cncc(F)c1 ZINC000334590182 354220137 /nfs/dbraw/zinc/22/01/37/354220137.db2.gz GMYBSWLMHOHXNV-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO C[C@@H]([NH3+])c1nc(C2CCCCCC2)cs1 ZINC000334602075 354280989 /nfs/dbraw/zinc/28/09/89/354280989.db2.gz JLDBMUMSOLWZKN-SECBINFHSA-N 1 0 224.373 3.601 20 0 BHADRO C[C@H]([NH3+])c1nc(C2CCCCCC2)cs1 ZINC000334602076 354281275 /nfs/dbraw/zinc/28/12/75/354281275.db2.gz JLDBMUMSOLWZKN-VIFPVBQESA-N 1 0 224.373 3.601 20 0 BHADRO Cc1ncc(C[NH2+]C2CCC3(CCCC3)CC2)o1 ZINC000334723887 385263249 /nfs/dbraw/zinc/26/32/49/385263249.db2.gz ISPCQRZWQIBXBH-UHFFFAOYSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCCC23CCCC3)o1 ZINC000334727186 385278602 /nfs/dbraw/zinc/27/86/02/385278602.db2.gz WBNMPCYMYAYQAI-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCCC23CCCC3)o1 ZINC000334727187 385282428 /nfs/dbraw/zinc/28/24/28/385282428.db2.gz WBNMPCYMYAYQAI-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ncc(C[NH2+][C@H]2CCCC23CCCCC3)o1 ZINC000334781021 135404461 /nfs/dbraw/zinc/40/44/61/135404461.db2.gz UICFMVSNNVPKNJ-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ncc(C[NH2+][C@@H]2CCCC23CCCCC3)o1 ZINC000334781023 384720607 /nfs/dbraw/zinc/72/06/07/384720607.db2.gz UICFMVSNNVPKNJ-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO FC(F)C1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000334786368 386846751 /nfs/dbraw/zinc/84/67/51/386846751.db2.gz PGRRBVNWFZOYMU-UHFFFAOYSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1nccs1 ZINC000334835270 388446795 /nfs/dbraw/zinc/44/67/95/388446795.db2.gz JVXUXFIBCYWFOS-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000334859743 386913730 /nfs/dbraw/zinc/91/37/30/386913730.db2.gz SBPOIPFPPDTNKT-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000334859744 386913260 /nfs/dbraw/zinc/91/32/60/386913260.db2.gz SBPOIPFPPDTNKT-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCC2)c1nccs1 ZINC000334865782 398236561 /nfs/dbraw/zinc/23/65/61/398236561.db2.gz AAALBSXBQDAEND-QWRGUYRKSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCC2)c1nccs1 ZINC000334865788 384593174 /nfs/dbraw/zinc/59/31/74/384593174.db2.gz AAALBSXBQDAEND-WDEREUQCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000334870640 386930758 /nfs/dbraw/zinc/93/07/58/386930758.db2.gz BKIFOTPTOAHHPA-FZMZJTMJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000334870642 386930571 /nfs/dbraw/zinc/93/05/71/386930571.db2.gz BKIFOTPTOAHHPA-SMDDNHRTSA-N 1 0 248.345 3.594 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000334964512 387044674 /nfs/dbraw/zinc/04/46/74/387044674.db2.gz SWXMNVRPJUTRIA-NEPJUHHUSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000334964828 387044963 /nfs/dbraw/zinc/04/49/63/387044963.db2.gz SWXMNVRPJUTRIA-NWDGAFQWSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000334964829 135851959 /nfs/dbraw/zinc/85/19/59/135851959.db2.gz SWXMNVRPJUTRIA-RYUDHWBXSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000334964830 387045633 /nfs/dbraw/zinc/04/56/33/387045633.db2.gz SWXMNVRPJUTRIA-VXGBXAGGSA-N 1 0 236.384 3.601 20 0 BHADRO C[C@@H](Nc1ccc2c(c1)CCN2)c1cccs1 ZINC000335054136 385953821 /nfs/dbraw/zinc/95/38/21/385953821.db2.gz LXZLQFYOGHKFKK-SNVBAGLBSA-N 1 0 244.363 3.889 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000335169014 354931253 /nfs/dbraw/zinc/93/12/53/354931253.db2.gz KIPKDJCHNMGIQE-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000335169017 354930811 /nfs/dbraw/zinc/93/08/11/354930811.db2.gz KIPKDJCHNMGIQE-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000335169018 354930856 /nfs/dbraw/zinc/93/08/56/354930856.db2.gz KIPKDJCHNMGIQE-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000335169019 354931486 /nfs/dbraw/zinc/93/14/86/354931486.db2.gz KIPKDJCHNMGIQE-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO c1sc(C[N@@H+]2CCCC23CCC3)nc1C1CC1 ZINC000335243919 355181158 /nfs/dbraw/zinc/18/11/58/355181158.db2.gz XQFJVSACXRABST-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000335247446 135981928 /nfs/dbraw/zinc/98/19/28/135981928.db2.gz ZLQTVIKOUHEIIC-HTAVTVPLSA-N 1 0 243.341 3.733 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000335247447 135982084 /nfs/dbraw/zinc/98/20/84/135982084.db2.gz ZLQTVIKOUHEIIC-MCIGGMRASA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277050 384707663 /nfs/dbraw/zinc/70/76/63/384707663.db2.gz GXUYYTCFOPMAGC-APPZFPTMSA-N 1 0 227.760 3.605 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277058 384708313 /nfs/dbraw/zinc/70/83/13/384708313.db2.gz GXUYYTCFOPMAGC-CBAPKCEASA-N 1 0 227.760 3.605 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277059 384705950 /nfs/dbraw/zinc/70/59/50/384705950.db2.gz GXUYYTCFOPMAGC-IONNQARKSA-N 1 0 227.760 3.605 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277061 384706316 /nfs/dbraw/zinc/70/63/16/384706316.db2.gz GXUYYTCFOPMAGC-VXNVDRBHSA-N 1 0 227.760 3.605 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278659 386159630 /nfs/dbraw/zinc/15/96/30/386159630.db2.gz LWWNXRFWSGWKPL-APPZFPTMSA-N 1 0 227.760 3.605 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278660 384712114 /nfs/dbraw/zinc/71/21/14/384712114.db2.gz LWWNXRFWSGWKPL-CBAPKCEASA-N 1 0 227.760 3.605 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278661 133823512 /nfs/dbraw/zinc/82/35/12/133823512.db2.gz LWWNXRFWSGWKPL-IONNQARKSA-N 1 0 227.760 3.605 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278662 384711909 /nfs/dbraw/zinc/71/19/09/384711909.db2.gz LWWNXRFWSGWKPL-VXNVDRBHSA-N 1 0 227.760 3.605 20 0 BHADRO Fc1cccc2c1SCC[C@H]2[NH2+][C@H]1CC12CC2 ZINC000335279078 384710983 /nfs/dbraw/zinc/71/09/83/384710983.db2.gz PJQCCNDFCVPGSV-NEPJUHHUSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000335279079 384712456 /nfs/dbraw/zinc/71/24/56/384712456.db2.gz PJQCCNDFCVPGSV-NWDGAFQWSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000335279080 384710928 /nfs/dbraw/zinc/71/09/28/384710928.db2.gz PJQCCNDFCVPGSV-RYUDHWBXSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000335279081 384710447 /nfs/dbraw/zinc/71/04/47/384710447.db2.gz PJQCCNDFCVPGSV-VXGBXAGGSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC3)CCS2 ZINC000335281862 136000302 /nfs/dbraw/zinc/00/03/02/136000302.db2.gz XKUDDSPVDLJGPQ-AAEUAGOBSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC3)CCS2 ZINC000335281863 136000409 /nfs/dbraw/zinc/00/04/09/136000409.db2.gz XKUDDSPVDLJGPQ-DGCLKSJQSA-N 1 0 249.354 3.505 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC3)CCS2 ZINC000335281864 136000064 /nfs/dbraw/zinc/00/00/64/136000064.db2.gz XKUDDSPVDLJGPQ-WCQYABFASA-N 1 0 249.354 3.505 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC3)CCS2 ZINC000335281865 136000347 /nfs/dbraw/zinc/00/03/47/136000347.db2.gz XKUDDSPVDLJGPQ-YPMHNXCESA-N 1 0 249.354 3.505 20 0 BHADRO Cc1ccsc1C[NH+]1CCC(C(F)F)CC1 ZINC000335313253 136031256 /nfs/dbraw/zinc/03/12/56/136031256.db2.gz QNJNLOMZVDQWDG-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)C1CCC(F)(F)CC1 ZINC000335373780 136084771 /nfs/dbraw/zinc/08/47/71/136084771.db2.gz MILDLVIHCYQOEK-GCVQQVDUSA-N 1 0 249.320 3.681 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)C1CCC(F)(F)CC1 ZINC000335373781 136084707 /nfs/dbraw/zinc/08/47/07/136084707.db2.gz MILDLVIHCYQOEK-OIKLOGQESA-N 1 0 249.320 3.681 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000335402075 136087178 /nfs/dbraw/zinc/08/71/78/136087178.db2.gz ZIIIYGDTYUBBCD-ADPBJBESSA-N 1 0 249.320 3.681 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000335402076 136087399 /nfs/dbraw/zinc/08/73/99/136087399.db2.gz ZIIIYGDTYUBBCD-POSLAHMBSA-N 1 0 249.320 3.681 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000335402077 136087529 /nfs/dbraw/zinc/08/75/29/136087529.db2.gz ZIIIYGDTYUBBCD-RSJDFQLWSA-N 1 0 249.320 3.681 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000335402078 136087251 /nfs/dbraw/zinc/08/72/51/136087251.db2.gz ZIIIYGDTYUBBCD-RUJICJSRSA-N 1 0 249.320 3.681 20 0 BHADRO c1nc(C2CC2)c(C[N@@H+]2CCCC23CCC3)s1 ZINC000335411622 636123813 /nfs/dbraw/zinc/12/38/13/636123813.db2.gz GCEOZKDKAIIVMI-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C3CCCC3)C2)o1 ZINC000335501520 386630213 /nfs/dbraw/zinc/63/02/13/386630213.db2.gz CNPQRKFOXXYADW-GXTWGEPZSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C3CCCC3)C2)o1 ZINC000335501521 386630695 /nfs/dbraw/zinc/63/06/95/386630695.db2.gz CNPQRKFOXXYADW-JSGCOSHPSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](C3CCCC3)C2)o1 ZINC000335501522 386630047 /nfs/dbraw/zinc/63/00/47/386630047.db2.gz CNPQRKFOXXYADW-OCCSQVGLSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](C3CCCC3)C2)o1 ZINC000335501523 386630239 /nfs/dbraw/zinc/63/02/39/386630239.db2.gz CNPQRKFOXXYADW-TZMCWYRMSA-N 1 0 248.370 3.556 20 0 BHADRO CS[C@H]1CC[C@@H]1Nc1ccc2c[nH+]ccc2c1 ZINC000335547068 136096810 /nfs/dbraw/zinc/09/68/10/136096810.db2.gz ZGQSWIKQYUBNGJ-KBPBESRZSA-N 1 0 244.363 3.541 20 0 BHADRO CS[C@H]1CC[C@H]1Nc1ccc2c[nH+]ccc2c1 ZINC000335547071 136096876 /nfs/dbraw/zinc/09/68/76/136096876.db2.gz ZGQSWIKQYUBNGJ-KGLIPLIRSA-N 1 0 244.363 3.541 20 0 BHADRO CS[C@@H]1CC[C@@H]1Nc1ccc2c[nH+]ccc2c1 ZINC000335547073 136096898 /nfs/dbraw/zinc/09/68/98/136096898.db2.gz ZGQSWIKQYUBNGJ-UONOGXRCSA-N 1 0 244.363 3.541 20 0 BHADRO CS[C@@H]1CC[C@H]1Nc1ccc2c[nH+]ccc2c1 ZINC000335547075 136097001 /nfs/dbraw/zinc/09/70/01/136097001.db2.gz ZGQSWIKQYUBNGJ-ZIAGYGMSSA-N 1 0 244.363 3.541 20 0 BHADRO O=C1CCC(C[N@@H+]2CCCC23CCCCC3)CC1 ZINC000335576752 136110974 /nfs/dbraw/zinc/11/09/74/136110974.db2.gz LQXISOJPAJLBQG-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1cncs1 ZINC000335603079 634497617 /nfs/dbraw/zinc/49/76/17/634497617.db2.gz OVVOZHGXPXGBCD-CMPLNLGQSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1cncs1 ZINC000335603080 634497326 /nfs/dbraw/zinc/49/73/26/634497326.db2.gz OVVOZHGXPXGBCD-JQWIXIFHSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1cncs1 ZINC000335603081 634495719 /nfs/dbraw/zinc/49/57/19/634495719.db2.gz OVVOZHGXPXGBCD-PWSUYJOCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1cncs1 ZINC000335603082 634496328 /nfs/dbraw/zinc/49/63/28/634496328.db2.gz OVVOZHGXPXGBCD-ZYHUDNBSSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccco1 ZINC000335606446 384380577 /nfs/dbraw/zinc/38/05/77/384380577.db2.gz NFIDYXPZXXABJW-SECBINFHSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccco1 ZINC000335606449 384381956 /nfs/dbraw/zinc/38/19/56/384381956.db2.gz NFIDYXPZXXABJW-VIFPVBQESA-N 1 0 229.270 3.508 20 0 BHADRO Cc1cscc1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000335607048 384378303 /nfs/dbraw/zinc/37/83/03/384378303.db2.gz PMTKWYGPFMUTIK-CHWSQXEVSA-N 1 0 244.363 3.613 20 0 BHADRO Cc1cscc1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000335607049 384378430 /nfs/dbraw/zinc/37/84/30/384378430.db2.gz PMTKWYGPFMUTIK-OLZOCXBDSA-N 1 0 244.363 3.613 20 0 BHADRO Cc1cscc1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000335607050 384378939 /nfs/dbraw/zinc/37/89/39/384378939.db2.gz PMTKWYGPFMUTIK-QWHCGFSZSA-N 1 0 244.363 3.613 20 0 BHADRO Cc1cscc1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000335607051 384378165 /nfs/dbraw/zinc/37/81/65/384378165.db2.gz PMTKWYGPFMUTIK-STQMWFEESA-N 1 0 244.363 3.613 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607834 384386349 /nfs/dbraw/zinc/38/63/49/384386349.db2.gz NDPYTXWFOBQVJT-NXEZZACHSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607835 384386771 /nfs/dbraw/zinc/38/67/71/384386771.db2.gz NDPYTXWFOBQVJT-UWVGGRQHSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607836 384386502 /nfs/dbraw/zinc/38/65/02/384386502.db2.gz NDPYTXWFOBQVJT-VHSXEESVSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607837 384387016 /nfs/dbraw/zinc/38/70/16/384387016.db2.gz NDPYTXWFOBQVJT-ZJUUUORDSA-N 1 0 229.270 3.508 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607854 384385883 /nfs/dbraw/zinc/38/58/83/384385883.db2.gz UCWRKKIGVFPYAT-GXSJLCMTSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607856 384386710 /nfs/dbraw/zinc/38/67/10/384386710.db2.gz UCWRKKIGVFPYAT-KOLCDFICSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607857 175912359 /nfs/dbraw/zinc/91/23/59/175912359.db2.gz UCWRKKIGVFPYAT-MWLCHTKSSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607858 384387732 /nfs/dbraw/zinc/38/77/32/384387732.db2.gz UCWRKKIGVFPYAT-ONGXEEELSA-N 1 0 245.338 3.977 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000335620663 384397583 /nfs/dbraw/zinc/39/75/83/384397583.db2.gz KZOMYJZWPVJCDH-CXQJBGSLSA-N 1 0 229.314 3.509 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000335620664 384398763 /nfs/dbraw/zinc/39/87/63/384398763.db2.gz KZOMYJZWPVJCDH-MOENNCHZSA-N 1 0 229.314 3.509 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000335620751 384398947 /nfs/dbraw/zinc/39/89/47/384398947.db2.gz WKECSEJUPLIBSE-CXQJBGSLSA-N 1 0 229.314 3.509 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000335620752 384397723 /nfs/dbraw/zinc/39/77/23/384397723.db2.gz WKECSEJUPLIBSE-MOENNCHZSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000335753903 355392911 /nfs/dbraw/zinc/39/29/11/355392911.db2.gz BKIFOTPTOAHHPA-BXUZGUMPSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000335753904 355392938 /nfs/dbraw/zinc/39/29/38/355392938.db2.gz BKIFOTPTOAHHPA-RISCZKNCSA-N 1 0 248.345 3.594 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000335762300 187231431 /nfs/dbraw/zinc/23/14/31/187231431.db2.gz VOXZRILKTGOZJO-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO FC1(F)CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000335918629 384700984 /nfs/dbraw/zinc/70/09/84/384700984.db2.gz SWYDMGMIAYLEOX-UHFFFAOYSA-N 1 0 249.688 3.601 20 0 BHADRO Cc1cnc([C@@H](C)[NH+]2CCC3(CCCC3)CC2)o1 ZINC000335946422 134020412 /nfs/dbraw/zinc/02/04/12/134020412.db2.gz NDXUZSNWFVZBDY-CYBMUJFWSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cnc([C@H](C)[NH+]2CCC3(CCCC3)CC2)o1 ZINC000335946423 134020322 /nfs/dbraw/zinc/02/03/22/134020322.db2.gz NDXUZSNWFVZBDY-ZDUSSCGKSA-N 1 0 248.370 3.700 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1nccc2ccccc21 ZINC000336003897 136263412 /nfs/dbraw/zinc/26/34/12/136263412.db2.gz YEEDSRCXGIHNNE-GFCCVEGCSA-N 1 0 240.350 3.828 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1nccc2ccccc21 ZINC000336003898 136263409 /nfs/dbraw/zinc/26/34/09/136263409.db2.gz YEEDSRCXGIHNNE-LBPRGKRZSA-N 1 0 240.350 3.828 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336086776 134076864 /nfs/dbraw/zinc/07/68/64/134076864.db2.gz ZEQXPSJSDWZEQY-BBRMVZONSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336086777 134077160 /nfs/dbraw/zinc/07/71/60/134077160.db2.gz ZEQXPSJSDWZEQY-CJNGLKHVSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336086778 134077178 /nfs/dbraw/zinc/07/71/78/134077178.db2.gz ZEQXPSJSDWZEQY-CZUORRHYSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336086779 134077107 /nfs/dbraw/zinc/07/71/07/134077107.db2.gz ZEQXPSJSDWZEQY-XJKSGUPXSA-N 1 0 238.334 3.590 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CCCC3(CCCC3)C2)o1 ZINC000336181362 134119843 /nfs/dbraw/zinc/11/98/43/134119843.db2.gz YMMGXYGHSCNHGF-CYBMUJFWSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CCCC3(CCCC3)C2)o1 ZINC000336181363 134120038 /nfs/dbraw/zinc/12/00/38/134120038.db2.gz YMMGXYGHSCNHGF-ZDUSSCGKSA-N 1 0 248.370 3.700 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CC1CC(F)(F)C1 ZINC000336199592 134128449 /nfs/dbraw/zinc/12/84/49/134128449.db2.gz MJAXSCDYRNZQEK-JTQLQIEISA-N 1 0 237.293 3.609 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CC1CC(F)(F)C1 ZINC000336199593 134128359 /nfs/dbraw/zinc/12/83/59/134128359.db2.gz MJAXSCDYRNZQEK-SNVBAGLBSA-N 1 0 237.293 3.609 20 0 BHADRO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000336213462 134135554 /nfs/dbraw/zinc/13/55/54/134135554.db2.gz ZNDRFFHQXWSIOO-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccco1 ZINC000336213463 134135448 /nfs/dbraw/zinc/13/54/48/134135448.db2.gz ZNDRFFHQXWSIOO-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO FC(F)(F)C1CC([NH2+][C@H]2CCCC23CCC3)C1 ZINC000336219097 134138315 /nfs/dbraw/zinc/13/83/15/134138315.db2.gz IWQMKFDAYVABNM-ILDUYXDCSA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)C1CC([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000336219098 134138292 /nfs/dbraw/zinc/13/82/92/134138292.db2.gz IWQMKFDAYVABNM-VQXHTEKXSA-N 1 0 247.304 3.640 20 0 BHADRO Cc1cc(C[NH+]2CCC(C(F)F)CC2)cs1 ZINC000336221146 177987055 /nfs/dbraw/zinc/98/70/55/177987055.db2.gz HTGQOMDUWPVJKS-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1sccc1C[NH+]1CCC(C(F)F)CC1 ZINC000336322655 387149974 /nfs/dbraw/zinc/14/99/74/387149974.db2.gz XENZCHGQXXXSJZ-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000336346522 387175801 /nfs/dbraw/zinc/17/58/01/387175801.db2.gz RHMRGTYDWSSVEQ-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000336346523 387175667 /nfs/dbraw/zinc/17/56/67/387175667.db2.gz RHMRGTYDWSSVEQ-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CCC3(C2)CCCCC3)o1 ZINC000336352336 385148505 /nfs/dbraw/zinc/14/85/05/385148505.db2.gz ITODSKPXZZMNMT-CYBMUJFWSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CCC3(C2)CCCCC3)o1 ZINC000336352338 385148278 /nfs/dbraw/zinc/14/82/78/385148278.db2.gz ITODSKPXZZMNMT-ZDUSSCGKSA-N 1 0 248.370 3.700 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1nccs1 ZINC000336607738 397951785 /nfs/dbraw/zinc/95/17/85/397951785.db2.gz JVXUXFIBCYWFOS-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cscn1 ZINC000336607798 397951658 /nfs/dbraw/zinc/95/16/58/397951658.db2.gz WPZFWALGUWOGRU-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cscn1 ZINC000336607799 397951590 /nfs/dbraw/zinc/95/15/90/397951590.db2.gz WPZFWALGUWOGRU-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000336634773 169269758 /nfs/dbraw/zinc/26/97/58/169269758.db2.gz QUMYTAVPAPSUIV-UHFFFAOYSA-N 1 0 224.156 3.555 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC2)c2ccsc2S1 ZINC000336643329 386247863 /nfs/dbraw/zinc/24/78/63/386247863.db2.gz CBULLXOCNRBKDM-KCJUWKMLSA-N 1 0 239.409 3.816 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC2)c2ccsc2S1 ZINC000336643332 386248249 /nfs/dbraw/zinc/24/82/49/386248249.db2.gz CBULLXOCNRBKDM-LDYMZIIASA-N 1 0 239.409 3.816 20 0 BHADRO Cc1cc(C[NH2+]Cc2cccc(C)c2)cs1 ZINC000336643489 179096003 /nfs/dbraw/zinc/09/60/03/179096003.db2.gz AWKMHLRBESHGMZ-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336644185 177207459 /nfs/dbraw/zinc/20/74/59/177207459.db2.gz CAGSNLUXQDWSQI-DRABBMOASA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336644191 176425886 /nfs/dbraw/zinc/42/58/86/176425886.db2.gz CAGSNLUXQDWSQI-FIXIBIHLSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336644192 386592716 /nfs/dbraw/zinc/59/27/16/386592716.db2.gz CAGSNLUXQDWSQI-FKGLVLAHSA-N 1 0 215.340 3.623 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336644193 177195934 /nfs/dbraw/zinc/19/59/34/177195934.db2.gz CAGSNLUXQDWSQI-JLUCKKNBSA-N 1 0 215.340 3.623 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)C(C)(C)C ZINC000336644440 386587900 /nfs/dbraw/zinc/58/79/00/386587900.db2.gz AKYPKNKWEQXDCV-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)C(C)(C)C ZINC000336644443 386587670 /nfs/dbraw/zinc/58/76/70/386587670.db2.gz AKYPKNKWEQXDCV-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000336644890 176420414 /nfs/dbraw/zinc/42/04/14/176420414.db2.gz CPMSIZSJGFLGGW-ABAIWWIYSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000336644896 176375364 /nfs/dbraw/zinc/37/53/64/176375364.db2.gz CPMSIZSJGFLGGW-IAQYHMDHSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000336644897 177369727 /nfs/dbraw/zinc/36/97/27/177369727.db2.gz CPMSIZSJGFLGGW-NHYWBVRUSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000336644898 177331241 /nfs/dbraw/zinc/33/12/41/177331241.db2.gz CPMSIZSJGFLGGW-XHDPSFHLSA-N 1 0 215.340 3.625 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(C(C)C)CC2)CS1 ZINC000336644975 386602488 /nfs/dbraw/zinc/60/24/88/386602488.db2.gz ALYHMJKSPVMCPM-CHWSQXEVSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C(C)C)CC2)CS1 ZINC000336644980 187992647 /nfs/dbraw/zinc/99/26/47/187992647.db2.gz ALYHMJKSPVMCPM-OLZOCXBDSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC2(C(C)C)CC2)CS1 ZINC000336644981 386601996 /nfs/dbraw/zinc/60/19/96/386601996.db2.gz ALYHMJKSPVMCPM-QWHCGFSZSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC2(C(C)C)CC2)CS1 ZINC000336644982 386602734 /nfs/dbraw/zinc/60/27/34/386602734.db2.gz ALYHMJKSPVMCPM-STQMWFEESA-N 1 0 241.444 3.542 20 0 BHADRO Cc1sccc1C[NH2+]Cc1cccc(C)c1 ZINC000336645757 179094951 /nfs/dbraw/zinc/09/49/51/179094951.db2.gz DELRZNNDJBLEEK-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CCSCC[N@H+](Cc1cccs1)C(C)C ZINC000336645808 386254285 /nfs/dbraw/zinc/25/42/85/386254285.db2.gz JADQJGOYCMLWGK-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO CC[C@H]([NH2+]CCCSC)c1cccc(C)c1 ZINC000336645817 171520815 /nfs/dbraw/zinc/52/08/15/171520815.db2.gz DGBJSMOTGKTLOI-AWEZNQCLSA-N 1 0 237.412 3.789 20 0 BHADRO CC[C@@H]([NH2+]CCCSC)c1cccc(C)c1 ZINC000336645859 386607528 /nfs/dbraw/zinc/60/75/28/386607528.db2.gz DGBJSMOTGKTLOI-CQSZACIVSA-N 1 0 237.412 3.789 20 0 BHADRO CSCCC[N@H+](Cc1cccs1)C(C)C ZINC000336646012 386254926 /nfs/dbraw/zinc/25/49/26/386254926.db2.gz JQEQJGSXUDCTCH-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336647123 386641772 /nfs/dbraw/zinc/64/17/72/386641772.db2.gz FGUIZBBGNUZBTJ-GYSYKLTISA-N 1 0 235.396 3.576 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336647126 386644305 /nfs/dbraw/zinc/64/43/05/386644305.db2.gz FGUIZBBGNUZBTJ-JTNHKYCSSA-N 1 0 235.396 3.576 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336647127 175564119 /nfs/dbraw/zinc/56/41/19/175564119.db2.gz FGUIZBBGNUZBTJ-MISXGVKJSA-N 1 0 235.396 3.576 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336647128 386644630 /nfs/dbraw/zinc/64/46/30/386644630.db2.gz FGUIZBBGNUZBTJ-WDMOLILDSA-N 1 0 235.396 3.576 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccc(C)c1 ZINC000336647188 386649905 /nfs/dbraw/zinc/64/99/05/386649905.db2.gz FIGYDDCTPCKKGI-PESDSKBTSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1cccc(C)c1 ZINC000336647194 386648640 /nfs/dbraw/zinc/64/86/40/386648640.db2.gz FIGYDDCTPCKKGI-ZALBZXLWSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccs1 ZINC000336647403 386671107 /nfs/dbraw/zinc/67/11/07/386671107.db2.gz DZPASAWQCMTPCP-NXEZZACHSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1cccs1 ZINC000336647406 386669224 /nfs/dbraw/zinc/66/92/24/386669224.db2.gz DZPASAWQCMTPCP-UWVGGRQHSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccs1 ZINC000336647407 386669021 /nfs/dbraw/zinc/66/90/21/386669021.db2.gz DZPASAWQCMTPCP-VHSXEESVSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccs1 ZINC000336647408 171523011 /nfs/dbraw/zinc/52/30/11/171523011.db2.gz DZPASAWQCMTPCP-ZJUUUORDSA-N 1 0 215.337 3.537 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cs1 ZINC000336647765 178035345 /nfs/dbraw/zinc/03/53/45/178035345.db2.gz FSQLEGTZTZOUMT-COPLHBTASA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cs1 ZINC000336647776 178035459 /nfs/dbraw/zinc/03/54/59/178035459.db2.gz FSQLEGTZTZOUMT-JTNHKYCSSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cs1 ZINC000336647778 178034951 /nfs/dbraw/zinc/03/49/51/178034951.db2.gz FSQLEGTZTZOUMT-MISXGVKJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cs1 ZINC000336647779 178035654 /nfs/dbraw/zinc/03/56/54/178035654.db2.gz FSQLEGTZTZOUMT-UHIISALHSA-N 1 0 237.412 3.971 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC1CC1)c1ccoc1 ZINC000336647886 350565684 /nfs/dbraw/zinc/56/56/84/350565684.db2.gz CHFHOXZFUYAQLB-AWEZNQCLSA-N 1 0 221.344 3.757 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC1CC1)c1ccoc1 ZINC000336647887 386679408 /nfs/dbraw/zinc/67/94/08/386679408.db2.gz CHFHOXZFUYAQLB-CQSZACIVSA-N 1 0 221.344 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000336647937 350565749 /nfs/dbraw/zinc/56/57/49/350565749.db2.gz FXXCSCOHAFXILC-AAEUAGOBSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000336647947 188256249 /nfs/dbraw/zinc/25/62/49/188256249.db2.gz FXXCSCOHAFXILC-DGCLKSJQSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000336647948 386682757 /nfs/dbraw/zinc/68/27/57/386682757.db2.gz FXXCSCOHAFXILC-WCQYABFASA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000336647950 350565477 /nfs/dbraw/zinc/56/54/77/350565477.db2.gz FXXCSCOHAFXILC-YPMHNXCESA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccsc1Cl ZINC000336648068 384573791 /nfs/dbraw/zinc/57/37/91/384573791.db2.gz GGFCXRLXPRCDGR-SECBINFHSA-N 1 0 249.832 3.633 20 0 BHADRO CC[N@H+](Cc1nc(C)sc1C)CC(C)(C)C ZINC000336648087 169934753 /nfs/dbraw/zinc/93/47/53/169934753.db2.gz GAXAKGCJSSCHST-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccsc1Cl ZINC000336648092 386679565 /nfs/dbraw/zinc/67/95/65/386679565.db2.gz GGFCXRLXPRCDGR-VIFPVBQESA-N 1 0 249.832 3.633 20 0 BHADRO Cc1csc(C(C)(C)[NH2+]CCCC(C)C)n1 ZINC000336648370 386695319 /nfs/dbraw/zinc/69/53/19/386695319.db2.gz COBVLYFGFBQJIO-UHFFFAOYSA-N 1 0 240.416 3.712 20 0 BHADRO C1=C(CC[NH2+]C2CCC3(CC3)CC2)CCC1 ZINC000336649074 385586350 /nfs/dbraw/zinc/58/63/50/385586350.db2.gz CZOCAGCMKGAWSN-UHFFFAOYSA-N 1 0 219.372 3.799 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CC2)c2ccsc2S1 ZINC000336650046 386263018 /nfs/dbraw/zinc/26/30/18/386263018.db2.gz SJLKFNBUMRNYNA-KCJUWKMLSA-N 1 0 239.409 3.673 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC2)c2ccsc2S1 ZINC000336650051 176375750 /nfs/dbraw/zinc/37/57/50/176375750.db2.gz SJLKFNBUMRNYNA-LDYMZIIASA-N 1 0 239.409 3.673 20 0 BHADRO CSCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000336650153 175487866 /nfs/dbraw/zinc/48/78/66/175487866.db2.gz ABCJVHGBIOKUTC-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000336650165 175487929 /nfs/dbraw/zinc/48/79/29/175487929.db2.gz ABCJVHGBIOKUTC-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CCC(CC)C[NH2+]Cc1csc(C)c1 ZINC000336650222 537820742 /nfs/dbraw/zinc/82/07/42/537820742.db2.gz AHCPBARDNLTSKG-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC[N@H+](Cc1ccsc1Cl)C(C)C ZINC000336650544 350574742 /nfs/dbraw/zinc/57/47/42/350574742.db2.gz IOAJDVOWLIZLLG-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000336651325 167138240 /nfs/dbraw/zinc/13/82/40/167138240.db2.gz FDEHCEZDPFPZLB-SECBINFHSA-N 1 0 221.275 3.631 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000336651326 167132347 /nfs/dbraw/zinc/13/23/47/167132347.db2.gz FDEHCEZDPFPZLB-VIFPVBQESA-N 1 0 221.275 3.631 20 0 BHADRO c1cc(CC[NH2+]C2CCC3(CC3)CC2)cs1 ZINC000336651463 183338155 /nfs/dbraw/zinc/33/81/55/183338155.db2.gz FFHAALDAKUDIKB-UHFFFAOYSA-N 1 0 235.396 3.603 20 0 BHADRO Cc1sc(C[NH2+][C@@H](C)C(C)C)nc1C(C)C ZINC000336651534 385627153 /nfs/dbraw/zinc/62/71/53/385627153.db2.gz FGVPABBXKHJVQS-JTQLQIEISA-N 1 0 240.416 3.709 20 0 BHADRO Cc1sc(C[NH2+][C@H](C)C(C)C)nc1C(C)C ZINC000336651543 385627076 /nfs/dbraw/zinc/62/70/76/385627076.db2.gz FGVPABBXKHJVQS-SNVBAGLBSA-N 1 0 240.416 3.709 20 0 BHADRO CC1(CC[NH2+]Cc2ccsc2Cl)CC1 ZINC000336651587 168019785 /nfs/dbraw/zinc/01/97/85/168019785.db2.gz JWALJRDRWYCCPJ-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc2occc2c1 ZINC000336652403 385650119 /nfs/dbraw/zinc/65/01/19/385650119.db2.gz FSQGCCFMENFYKF-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO Cc1cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000336652576 178018435 /nfs/dbraw/zinc/01/84/35/178018435.db2.gz INWLMOXLQLMBEY-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000336652577 178018589 /nfs/dbraw/zinc/01/85/89/178018589.db2.gz INWLMOXLQLMBEY-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000336652578 178035821 /nfs/dbraw/zinc/03/58/21/178035821.db2.gz INWLMOXLQLMBEY-YABSGUDNSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C(C)(C)C)cn1 ZINC000336652663 386967521 /nfs/dbraw/zinc/96/75/21/386967521.db2.gz CTGVDHDUEHQALS-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO CCSCC[NH2+]CCCCC(C)(C)C ZINC000336653025 385653962 /nfs/dbraw/zinc/65/39/62/385653962.db2.gz KZQIBNVARCJGNH-UHFFFAOYSA-N 1 0 217.422 3.546 20 0 BHADRO CC(C)(CF)[NH2+]Cc1csc2ccccc12 ZINC000336653550 385683783 /nfs/dbraw/zinc/68/37/83/385683783.db2.gz GCTWBPYRVXYFBK-UHFFFAOYSA-N 1 0 237.343 3.739 20 0 BHADRO COC1(CC[NH2+][C@@H]2CCCC(C)(C)C2)CCC1 ZINC000336653651 384632699 /nfs/dbraw/zinc/63/26/99/384632699.db2.gz FKDACKVWSZRSGP-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@H]2CCCC(C)(C)C2)CCC1 ZINC000336653654 385698931 /nfs/dbraw/zinc/69/89/31/385698931.db2.gz FKDACKVWSZRSGP-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)C[N@H+](Cc1ccco1)C(C)C ZINC000336653861 386271770 /nfs/dbraw/zinc/27/17/70/386271770.db2.gz YXFXHOFEEVBXDH-GFCCVEGCSA-N 1 0 209.333 3.536 20 0 BHADRO CC[C@H](C)C[N@H+](Cc1ccco1)C(C)C ZINC000336653862 171279268 /nfs/dbraw/zinc/27/92/68/171279268.db2.gz YXFXHOFEEVBXDH-LBPRGKRZSA-N 1 0 209.333 3.536 20 0 BHADRO CC[N@H+](Cc1sc(C)nc1C)CC(C)(C)C ZINC000336653976 350420781 /nfs/dbraw/zinc/42/07/81/350420781.db2.gz JTDXNJOJQFSRJS-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCCF)c2ccccc21 ZINC000336653977 176374809 /nfs/dbraw/zinc/37/48/09/176374809.db2.gz JTMFWTCTAZRUFN-BXUZGUMPSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCCCF)c2ccccc21 ZINC000336653998 177369251 /nfs/dbraw/zinc/36/92/51/177369251.db2.gz JTMFWTCTAZRUFN-FZMZJTMJSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCCF)c2ccccc21 ZINC000336653999 385720264 /nfs/dbraw/zinc/72/02/64/385720264.db2.gz JTMFWTCTAZRUFN-RISCZKNCSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCCCF)c2ccccc21 ZINC000336654000 177331481 /nfs/dbraw/zinc/33/14/81/177331481.db2.gz JTMFWTCTAZRUFN-SMDDNHRTSA-N 1 0 221.319 3.574 20 0 BHADRO CSCCCC[NH2+]Cc1ccsc1Cl ZINC000336654136 385721251 /nfs/dbraw/zinc/72/12/51/385721251.db2.gz MHIPUZYVCBHYPQ-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CC(C)C1(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336655476 385759400 /nfs/dbraw/zinc/75/94/00/385759400.db2.gz HKLYLGRIBHSUOC-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000336655764 176217463 /nfs/dbraw/zinc/21/74/63/176217463.db2.gz LBQGTPAJEIBQOW-KGYLQXTDSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000336655767 176237621 /nfs/dbraw/zinc/23/76/21/176237621.db2.gz LBQGTPAJEIBQOW-RAIGVLPGSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000336655771 176237353 /nfs/dbraw/zinc/23/73/53/176237353.db2.gz LBQGTPAJEIBQOW-RTXFEEFZSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000336655773 176217855 /nfs/dbraw/zinc/21/78/55/176217855.db2.gz LBQGTPAJEIBQOW-WXHSDQCUSA-N 1 0 233.380 3.612 20 0 BHADRO CCC1([NH2+]Cc2ccsc2Cl)CCC1 ZINC000336655933 385776441 /nfs/dbraw/zinc/77/64/41/385776441.db2.gz OAOQYTNWRFDLCD-UHFFFAOYSA-N 1 0 229.776 3.824 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCCCF ZINC000336656089 168314133 /nfs/dbraw/zinc/31/41/33/168314133.db2.gz OGEGIZAYNBHZKX-UHFFFAOYSA-N 1 0 203.345 3.542 20 0 BHADRO CSCCCCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336656093 175474132 /nfs/dbraw/zinc/47/41/32/175474132.db2.gz AIULEADOUJBNNB-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336656094 175473809 /nfs/dbraw/zinc/47/38/09/175473809.db2.gz AIULEADOUJBNNB-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336656095 488112721 /nfs/dbraw/zinc/11/27/21/488112721.db2.gz AIULEADOUJBNNB-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336656096 398143799 /nfs/dbraw/zinc/14/37/99/398143799.db2.gz AIULEADOUJBNNB-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSC1(C[NH2+]CC2(CC(C)C)CC2)CCC1 ZINC000336656190 388459806 /nfs/dbraw/zinc/45/98/06/388459806.db2.gz AKMNYJHCEKOJGX-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1scnc1C1CC1 ZINC000336656357 537819544 /nfs/dbraw/zinc/81/95/44/537819544.db2.gz HUGZODYXMRYLPW-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO CCC[N@H+](CC)Cc1ccsc1Cl ZINC000336656473 169129585 /nfs/dbraw/zinc/12/95/85/169129585.db2.gz QLHHCDSQXUPBHH-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CCC[N@@H+](Cc1sc(C)nc1C)CC(C)C ZINC000336656501 169181521 /nfs/dbraw/zinc/18/15/21/169181521.db2.gz LIUZXAHERWGFLY-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000336656562 385784697 /nfs/dbraw/zinc/78/46/97/385784697.db2.gz LNEPOWWCSCXBMN-NEPJUHHUSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000336656564 385784684 /nfs/dbraw/zinc/78/46/84/385784684.db2.gz LNEPOWWCSCXBMN-NWDGAFQWSA-N 1 0 221.344 3.502 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000336656668 385785905 /nfs/dbraw/zinc/78/59/05/385785905.db2.gz LQGFFYJCVQQAKK-CYBMUJFWSA-N 1 0 235.396 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000336656811 187305250 /nfs/dbraw/zinc/30/52/50/187305250.db2.gz LQGFFYJCVQQAKK-ZDUSSCGKSA-N 1 0 235.396 3.687 20 0 BHADRO CO[C@H](C)CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000336656882 385815905 /nfs/dbraw/zinc/81/59/05/385815905.db2.gz MKSNVYODIFPEBY-GFCCVEGCSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000336656915 385816526 /nfs/dbraw/zinc/81/65/26/385816526.db2.gz MKSNVYODIFPEBY-LBPRGKRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H](C)c1cccs1 ZINC000336656975 167323062 /nfs/dbraw/zinc/32/30/62/167323062.db2.gz AODFYFJYNFGEBA-LLVKDONJSA-N 1 0 243.441 3.883 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000336656980 167323309 /nfs/dbraw/zinc/32/33/09/167323309.db2.gz AODFYFJYNFGEBA-NSHDSACASA-N 1 0 243.441 3.883 20 0 BHADRO COC1(CC[NH2+]C2CCC(C)(C)CC2)CCC1 ZINC000336657667 388072501 /nfs/dbraw/zinc/07/25/01/388072501.db2.gz MZUFRRDTDCMGLA-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000336657915 388073417 /nfs/dbraw/zinc/07/34/17/388073417.db2.gz ODHWZVURWDHLRG-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000336657916 388073725 /nfs/dbraw/zinc/07/37/25/388073725.db2.gz ODHWZVURWDHLRG-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000336657952 388073859 /nfs/dbraw/zinc/07/38/59/388073859.db2.gz OFJVVORLGUDWJE-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000336657953 388073039 /nfs/dbraw/zinc/07/30/39/388073039.db2.gz OFJVVORLGUDWJE-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c(C)o1 ZINC000336658112 178255810 /nfs/dbraw/zinc/25/58/10/178255810.db2.gz IMIYKCNWVRNNHH-GCDPNZCJSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c(C)o1 ZINC000336658119 178255273 /nfs/dbraw/zinc/25/52/73/178255273.db2.gz IMIYKCNWVRNNHH-GEEFMHANSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c(C)o1 ZINC000336658120 178256393 /nfs/dbraw/zinc/25/63/93/178256393.db2.gz IMIYKCNWVRNNHH-RTOGKPCTSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)c(C)o1 ZINC000336658121 178254895 /nfs/dbraw/zinc/25/48/95/178254895.db2.gz IMIYKCNWVRNNHH-WQURNTSKSA-N 1 0 221.344 3.592 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCCC(C)C ZINC000336658182 384675584 /nfs/dbraw/zinc/67/55/84/384675584.db2.gz IOZCRESORKPBST-GFCCVEGCSA-N 1 0 223.360 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCCC(C)C ZINC000336658195 384677425 /nfs/dbraw/zinc/67/74/25/384677425.db2.gz IOZCRESORKPBST-LBPRGKRZSA-N 1 0 223.360 3.892 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000336658207 168147831 /nfs/dbraw/zinc/14/78/31/168147831.db2.gz MNJWWBKOMHICMK-HMILFGGKSA-N 1 0 215.340 3.623 20 0 BHADRO CC1CC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000336658208 168148498 /nfs/dbraw/zinc/14/84/98/168148498.db2.gz MNJWWBKOMHICMK-KBMVZVDUSA-N 1 0 215.340 3.623 20 0 BHADRO CC1CC([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000336658209 168147860 /nfs/dbraw/zinc/14/78/60/168147860.db2.gz MNJWWBKOMHICMK-NMADNCOTSA-N 1 0 215.340 3.623 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000336658210 168148151 /nfs/dbraw/zinc/14/81/51/168148151.db2.gz MNJWWBKOMHICMK-ZCUCKVSOSA-N 1 0 215.340 3.623 20 0 BHADRO CCC[N@@H+](Cc1nc(C)sc1C)CC(C)C ZINC000336659130 169181914 /nfs/dbraw/zinc/18/19/14/169181914.db2.gz MTNCHJFWOZNKDS-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000336659489 388085632 /nfs/dbraw/zinc/08/56/32/388085632.db2.gz BYKKDYDUGOTOQL-JTQLQIEISA-N 1 0 235.293 3.641 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000336659507 388460180 /nfs/dbraw/zinc/46/01/80/388460180.db2.gz BYKKDYDUGOTOQL-SNVBAGLBSA-N 1 0 235.293 3.641 20 0 BHADRO COC1(CC[NH2+]CCC2CCCCC2)CCC1 ZINC000336659932 388460627 /nfs/dbraw/zinc/46/06/27/388460627.db2.gz QMRHGLFQDOTROR-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCc1cnc(C[NH2+]C(C)(C)C(C)(C)C)s1 ZINC000336659950 171913507 /nfs/dbraw/zinc/91/35/07/171913507.db2.gz AXFOTKQWSSXXME-UHFFFAOYSA-N 1 0 240.416 3.620 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336659973 388086675 /nfs/dbraw/zinc/08/66/75/388086675.db2.gz AZUJYLANFBIHNT-ORHYLEIMSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000336659975 388086900 /nfs/dbraw/zinc/08/69/00/388086900.db2.gz AZUJYLANFBIHNT-YIZWMMSDSA-N 1 0 235.396 3.725 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+]CCC1CC1 ZINC000336660356 537819526 /nfs/dbraw/zinc/81/95/26/537819526.db2.gz BHKMSQFWRWCZEL-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO Cc1occc1C[NH2+]Cc1cccc(Cl)c1 ZINC000336662519 388260516 /nfs/dbraw/zinc/26/05/16/388260516.db2.gz DIFAZBOEPOOQAE-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc(C)c1 ZINC000336662554 361898109 /nfs/dbraw/zinc/89/81/09/361898109.db2.gz OOWMFEOKVVAFDC-GXTWGEPZSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)SC)c1cccc(C)c1 ZINC000336662557 171527579 /nfs/dbraw/zinc/52/75/79/171527579.db2.gz OOWMFEOKVVAFDC-JSGCOSHPSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc(C)c1 ZINC000336662558 188337444 /nfs/dbraw/zinc/33/74/44/188337444.db2.gz OOWMFEOKVVAFDC-OCCSQVGLSA-N 1 0 237.412 3.787 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccc(C)c1 ZINC000336662559 170898440 /nfs/dbraw/zinc/89/84/40/170898440.db2.gz OOWMFEOKVVAFDC-TZMCWYRMSA-N 1 0 237.412 3.787 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000336662776 388261319 /nfs/dbraw/zinc/26/13/19/388261319.db2.gz VGGLTZIBURFWMK-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000336662777 388261347 /nfs/dbraw/zinc/26/13/47/388261347.db2.gz VGGLTZIBURFWMK-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336662778 174690526 /nfs/dbraw/zinc/69/05/26/174690526.db2.gz VGGLTZIBURFWMK-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336662780 388261322 /nfs/dbraw/zinc/26/13/22/388261322.db2.gz VGGLTZIBURFWMK-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ncc(C[N@@H+](C)C2CCCCCC2)s1 ZINC000336662865 180137038 /nfs/dbraw/zinc/13/70/38/180137038.db2.gz CWORNHIXDWITRM-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CC(C)SCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000336662925 167329366 /nfs/dbraw/zinc/32/93/66/167329366.db2.gz ACUJUCXRGNWRQI-GFCCVEGCSA-N 1 0 235.396 3.705 20 0 BHADRO CC(C)SCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000336662964 167328932 /nfs/dbraw/zinc/32/89/32/167328932.db2.gz ACUJUCXRGNWRQI-LBPRGKRZSA-N 1 0 235.396 3.705 20 0 BHADRO Cc1ccncc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000336662967 179486442 /nfs/dbraw/zinc/48/64/42/179486442.db2.gz WIJGTSUWNAXJMZ-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@H](C)c1cccs1 ZINC000336663089 386283229 /nfs/dbraw/zinc/28/32/29/386283229.db2.gz DYWRNKUQHCLSLF-LLVKDONJSA-N 1 0 241.400 3.556 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000336663139 173936798 /nfs/dbraw/zinc/93/67/98/173936798.db2.gz DYWRNKUQHCLSLF-NSHDSACASA-N 1 0 241.400 3.556 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336663469 167325914 /nfs/dbraw/zinc/32/59/14/167325914.db2.gz CQSBWJYPHNJDNX-AWEZNQCLSA-N 1 0 235.396 3.575 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336663478 167327093 /nfs/dbraw/zinc/32/70/93/167327093.db2.gz CQSBWJYPHNJDNX-CQSZACIVSA-N 1 0 235.396 3.575 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336663700 537816186 /nfs/dbraw/zinc/81/61/86/537816186.db2.gz KYEXAKARWWDVRO-JTQLQIEISA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336663709 537815594 /nfs/dbraw/zinc/81/55/94/537815594.db2.gz KYEXAKARWWDVRO-SNVBAGLBSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCc2occc21 ZINC000336663871 187817786 /nfs/dbraw/zinc/81/77/86/187817786.db2.gz LAGXCPRWYWXUKE-CYBMUJFWSA-N 1 0 219.328 3.603 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCc2occc21 ZINC000336663876 386762011 /nfs/dbraw/zinc/76/20/11/386762011.db2.gz LAGXCPRWYWXUKE-ZDUSSCGKSA-N 1 0 219.328 3.603 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000336664062 176217862 /nfs/dbraw/zinc/21/78/62/176217862.db2.gz CZZKBSKFZOMDDZ-ADEWGFFLSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000336664067 176237479 /nfs/dbraw/zinc/23/74/79/176237479.db2.gz CZZKBSKFZOMDDZ-JLLWLGSASA-N 1 0 221.369 3.514 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000336664068 176217747 /nfs/dbraw/zinc/21/77/47/176217747.db2.gz CZZKBSKFZOMDDZ-USWWRNFRSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000336664069 176237626 /nfs/dbraw/zinc/23/76/26/176237626.db2.gz CZZKBSKFZOMDDZ-YUSALJHKSA-N 1 0 221.369 3.514 20 0 BHADRO CCC[N@@H+](Cc1nc(C)c(C)s1)CC(C)C ZINC000336665378 169181449 /nfs/dbraw/zinc/18/14/49/169181449.db2.gz PMFXSQVXNDZQRQ-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccc(Cl)cc1 ZINC000336665482 167330344 /nfs/dbraw/zinc/33/03/44/167330344.db2.gz DITWCXXUDLKDIV-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000336666444 168021141 /nfs/dbraw/zinc/02/11/41/168021141.db2.gz VROASDVHRNHTKX-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC(C)SCC[N@H+](Cc1ccco1)C(C)C ZINC000336666852 167323469 /nfs/dbraw/zinc/32/34/69/167323469.db2.gz MGXWFMWJEMQHIT-UHFFFAOYSA-N 1 0 241.400 3.632 20 0 BHADRO Cc1ccccc1C[N@@H+](C)CCSC(C)C ZINC000336666951 179270358 /nfs/dbraw/zinc/27/03/58/179270358.db2.gz NYTXPVMAAOOYLN-UHFFFAOYSA-N 1 0 237.412 3.568 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CCC1CC1)C1CC1 ZINC000336667642 177047276 /nfs/dbraw/zinc/04/72/76/177047276.db2.gz MLVHQVOXDMMNPS-LLVKDONJSA-N 1 0 219.328 3.605 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CCC1CC1)C1CC1 ZINC000336667644 176031133 /nfs/dbraw/zinc/03/11/33/176031133.db2.gz MLVHQVOXDMMNPS-NSHDSACASA-N 1 0 219.328 3.605 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CC=CCC2)cs1 ZINC000336667744 178023444 /nfs/dbraw/zinc/02/34/44/178023444.db2.gz DWEOIUJXEGCGHB-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CC=CCC2)cs1 ZINC000336667761 178024250 /nfs/dbraw/zinc/02/42/50/178024250.db2.gz DWEOIUJXEGCGHB-LBPRGKRZSA-N 1 0 221.369 3.502 20 0 BHADRO CCSCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000336667834 386785109 /nfs/dbraw/zinc/78/51/09/386785109.db2.gz QMCXIABZGGDACV-AWEZNQCLSA-N 1 0 237.412 3.789 20 0 BHADRO CCSCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000336667835 386785298 /nfs/dbraw/zinc/78/52/98/386785298.db2.gz QMCXIABZGGDACV-CQSZACIVSA-N 1 0 237.412 3.789 20 0 BHADRO CC(C)CC1(C[NH2+]C[C@H]2CCSC2)CCC1 ZINC000336668567 386792689 /nfs/dbraw/zinc/79/26/89/386792689.db2.gz MOGPCXJRKZYGPT-CYBMUJFWSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)CC1(C[NH2+]C[C@@H]2CCSC2)CCC1 ZINC000336668569 166784258 /nfs/dbraw/zinc/78/42/58/166784258.db2.gz MOGPCXJRKZYGPT-ZDUSSCGKSA-N 1 0 241.444 3.546 20 0 BHADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC1 ZINC000336668760 175121766 /nfs/dbraw/zinc/12/17/66/175121766.db2.gz GHDLQAZSUAJETF-SECBINFHSA-N 1 0 239.746 3.552 20 0 BHADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC1 ZINC000336668762 175122836 /nfs/dbraw/zinc/12/28/36/175122836.db2.gz GHDLQAZSUAJETF-VIFPVBQESA-N 1 0 239.746 3.552 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccsc1Cl ZINC000336669355 350865075 /nfs/dbraw/zinc/86/50/75/350865075.db2.gz XSBRDDZVNHWDCG-SECBINFHSA-N 1 0 229.776 3.537 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000336669356 386800138 /nfs/dbraw/zinc/80/01/38/386800138.db2.gz XSBRDDZVNHWDCG-VIFPVBQESA-N 1 0 229.776 3.537 20 0 BHADRO FC(F)(F)C1(C[NH2+]Cc2cccs2)CCC1 ZINC000336669504 388461435 /nfs/dbraw/zinc/46/14/35/388461435.db2.gz HGCDBFKMCGPNSY-UHFFFAOYSA-N 1 0 249.301 3.570 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000336669721 384798972 /nfs/dbraw/zinc/79/89/72/384798972.db2.gz MXRHYKBVCTUKPF-CYBMUJFWSA-N 1 0 243.753 3.986 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC000336669725 386312947 /nfs/dbraw/zinc/31/29/47/386312947.db2.gz VIMCLGPWWJVVTK-HNNXBMFYSA-N 1 0 215.340 3.624 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC000336669758 386313207 /nfs/dbraw/zinc/31/32/07/386313207.db2.gz VIMCLGPWWJVVTK-OAHLLOKOSA-N 1 0 215.340 3.624 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1cccc(F)c1 ZINC000336670215 170893829 /nfs/dbraw/zinc/89/38/29/170893829.db2.gz RQOJBFZDYDWPLM-CYBMUJFWSA-N 1 0 227.298 3.616 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1cccc(F)c1 ZINC000336670221 386802710 /nfs/dbraw/zinc/80/27/10/386802710.db2.gz RQOJBFZDYDWPLM-ZDUSSCGKSA-N 1 0 227.298 3.616 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000336670308 171031772 /nfs/dbraw/zinc/03/17/72/171031772.db2.gz ADLWOQDRHWMTAS-BZPMIXESSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000336670309 171050319 /nfs/dbraw/zinc/05/03/19/171050319.db2.gz ADLWOQDRHWMTAS-OUCADQQQSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000336670316 171049743 /nfs/dbraw/zinc/04/97/43/171049743.db2.gz ADLWOQDRHWMTAS-SCRDCRAPSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000336670318 171031907 /nfs/dbraw/zinc/03/19/07/171031907.db2.gz ADLWOQDRHWMTAS-YRGRVCCFSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(C)s1 ZINC000336670384 171274703 /nfs/dbraw/zinc/27/47/03/171274703.db2.gz GKFXSKIMBJQGJS-JTQLQIEISA-N 1 0 211.374 3.534 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C)s1 ZINC000336670386 386315441 /nfs/dbraw/zinc/31/54/41/386315441.db2.gz GKFXSKIMBJQGJS-SNVBAGLBSA-N 1 0 211.374 3.534 20 0 BHADRO CSCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336670528 175487854 /nfs/dbraw/zinc/48/78/54/175487854.db2.gz RXJBOCYSHQXRAN-BXUZGUMPSA-N 1 0 235.396 3.578 20 0 BHADRO CSCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336670530 386805256 /nfs/dbraw/zinc/80/52/56/386805256.db2.gz RXJBOCYSHQXRAN-FZMZJTMJSA-N 1 0 235.396 3.578 20 0 BHADRO CSCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336670532 386805032 /nfs/dbraw/zinc/80/50/32/386805032.db2.gz RXJBOCYSHQXRAN-RISCZKNCSA-N 1 0 235.396 3.578 20 0 BHADRO CSCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336670534 175487874 /nfs/dbraw/zinc/48/78/74/175487874.db2.gz RXJBOCYSHQXRAN-SMDDNHRTSA-N 1 0 235.396 3.578 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1ccc(C)cc1 ZINC000336670571 384820289 /nfs/dbraw/zinc/82/02/89/384820289.db2.gz RYQPRWORMSPXBT-AWEZNQCLSA-N 1 0 223.335 3.785 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1ccc(C)cc1 ZINC000336670578 384818891 /nfs/dbraw/zinc/81/88/91/384818891.db2.gz RYQPRWORMSPXBT-CQSZACIVSA-N 1 0 223.335 3.785 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@H+](C)CCC2CC2)s1 ZINC000336670850 386315056 /nfs/dbraw/zinc/31/50/56/386315056.db2.gz YBGJQEDUTBGURJ-JTQLQIEISA-N 1 0 238.400 3.553 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC2CC2)s1 ZINC000336670851 386315922 /nfs/dbraw/zinc/31/59/22/386315922.db2.gz YBGJQEDUTBGURJ-SNVBAGLBSA-N 1 0 238.400 3.553 20 0 BHADRO CC[N@H+](Cc1nc(C)sc1C)[C@@H](C)C(C)C ZINC000336671146 350435236 /nfs/dbraw/zinc/43/52/36/350435236.db2.gz JCOLTFSEBWIKHT-JTQLQIEISA-N 1 0 240.416 3.626 20 0 BHADRO CC[N@H+](Cc1nc(C)sc1C)[C@H](C)C(C)C ZINC000336671147 350435024 /nfs/dbraw/zinc/43/50/24/350435024.db2.gz JCOLTFSEBWIKHT-SNVBAGLBSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1occc1C[N@@H+](C)C1CCCCCC1 ZINC000336671176 386318255 /nfs/dbraw/zinc/31/82/55/386318255.db2.gz JFJXTTNLVZFGNY-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000336671523 175379697 /nfs/dbraw/zinc/37/96/97/175379697.db2.gz GZRARWRKCVFUMC-GXSJLCMTSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000336671534 175379777 /nfs/dbraw/zinc/37/97/77/175379777.db2.gz GZRARWRKCVFUMC-KOLCDFICSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000336671535 175379418 /nfs/dbraw/zinc/37/94/18/175379418.db2.gz GZRARWRKCVFUMC-MWLCHTKSSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000336671536 175380744 /nfs/dbraw/zinc/38/07/44/175380744.db2.gz GZRARWRKCVFUMC-ONGXEEELSA-N 1 0 239.384 3.596 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCC23CCCC3)CCC1 ZINC000336671851 386814573 /nfs/dbraw/zinc/81/45/73/386814573.db2.gz IMCYGKZJGMPRMO-GFCCVEGCSA-N 1 0 225.351 3.581 20 0 BHADRO FC1(CC[NH2+][C@H]2CCC23CCCC3)CCC1 ZINC000336671871 386815499 /nfs/dbraw/zinc/81/54/99/386815499.db2.gz IMCYGKZJGMPRMO-LBPRGKRZSA-N 1 0 225.351 3.581 20 0 BHADRO CC(C)C[NH2+]Cc1cscc1C(F)(F)F ZINC000336672018 167010791 /nfs/dbraw/zinc/01/07/91/167010791.db2.gz GKACHGIFNHOKJH-UHFFFAOYSA-N 1 0 237.290 3.513 20 0 BHADRO CC(C)(C)CC[NH2+]CC1(C(F)(F)F)CCC1 ZINC000336672039 166570960 /nfs/dbraw/zinc/57/09/60/166570960.db2.gz NVXIFCUDNPFXJB-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO CCCC[NH2+][C@H](CCC)c1ccsc1 ZINC000336672624 386827518 /nfs/dbraw/zinc/82/75/18/386827518.db2.gz ZZFYQEMPJNMKBO-GFCCVEGCSA-N 1 0 211.374 3.979 20 0 BHADRO CCCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000336672625 386826659 /nfs/dbraw/zinc/82/66/59/386826659.db2.gz ZZFYQEMPJNMKBO-LBPRGKRZSA-N 1 0 211.374 3.979 20 0 BHADRO CSCCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336672664 386820650 /nfs/dbraw/zinc/82/06/50/386820650.db2.gz BJJWSTLEIJDKJQ-DOMZBBRYSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336672668 175475919 /nfs/dbraw/zinc/47/59/19/175475919.db2.gz BJJWSTLEIJDKJQ-IUODEOHRSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336672669 386822213 /nfs/dbraw/zinc/82/22/13/386822213.db2.gz BJJWSTLEIJDKJQ-SWLSCSKDSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336672670 175475811 /nfs/dbraw/zinc/47/58/11/175475811.db2.gz BJJWSTLEIJDKJQ-WFASDCNBSA-N 1 0 249.423 3.968 20 0 BHADRO Cc1sccc1C[NH2+]CC1(C)CCCC1 ZINC000336672728 386820253 /nfs/dbraw/zinc/82/02/53/386820253.db2.gz GLKWZBJERDIBSK-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CCC[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336673031 169284174 /nfs/dbraw/zinc/28/41/74/169284174.db2.gz NVWIFQSWPISTPR-PSASIEDQSA-N 1 0 227.398 3.673 20 0 BHADRO CCC[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000336673034 169292389 /nfs/dbraw/zinc/29/23/89/169292389.db2.gz NVWIFQSWPISTPR-SCZZXKLOSA-N 1 0 227.398 3.673 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000336673286 168287714 /nfs/dbraw/zinc/28/77/14/168287714.db2.gz KORXTZUIACJQOP-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000336673508 350871342 /nfs/dbraw/zinc/87/13/42/350871342.db2.gz UABOWBRCUDWBJN-AAEUAGOBSA-N 1 0 235.396 3.904 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000336673517 191125139 /nfs/dbraw/zinc/12/51/39/191125139.db2.gz UABOWBRCUDWBJN-DGCLKSJQSA-N 1 0 235.396 3.904 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000336673518 187306310 /nfs/dbraw/zinc/30/63/10/187306310.db2.gz UABOWBRCUDWBJN-WCQYABFASA-N 1 0 235.396 3.904 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000336673519 167937786 /nfs/dbraw/zinc/93/77/86/167937786.db2.gz UABOWBRCUDWBJN-YPMHNXCESA-N 1 0 235.396 3.904 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)CC(C)C ZINC000336673654 386833316 /nfs/dbraw/zinc/83/33/16/386833316.db2.gz AZUKMRCYONQHLP-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)CC(C)C ZINC000336673659 386833611 /nfs/dbraw/zinc/83/36/11/386833611.db2.gz AZUKMRCYONQHLP-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccccc1Cl ZINC000336673796 167329888 /nfs/dbraw/zinc/32/98/88/167329888.db2.gz GTJWVAPEJVRJOU-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1)c1cccs1 ZINC000336673989 187393753 /nfs/dbraw/zinc/39/37/53/187393753.db2.gz ACDNFNLAZSJDNF-UHFFFAOYSA-N 1 0 237.393 3.835 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCC1(F)CCC1 ZINC000336674115 192069402 /nfs/dbraw/zinc/06/94/02/192069402.db2.gz ACNCTWYRUSHWGA-GFCCVEGCSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCC1(F)CCC1 ZINC000336674126 191125162 /nfs/dbraw/zinc/12/51/62/191125162.db2.gz ACNCTWYRUSHWGA-LBPRGKRZSA-N 1 0 215.356 3.541 20 0 BHADRO CC1(C)CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000336674320 386842548 /nfs/dbraw/zinc/84/25/48/386842548.db2.gz UMSITCMBZMHBRY-CYBMUJFWSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000336674324 386843658 /nfs/dbraw/zinc/84/36/58/386843658.db2.gz UMSITCMBZMHBRY-ZDUSSCGKSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cccc(C)c1 ZINC000336674646 385077708 /nfs/dbraw/zinc/07/77/08/385077708.db2.gz UXSXVJLNUQCZIR-HNNXBMFYSA-N 1 0 217.356 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cccc(C)c1 ZINC000336674670 386848093 /nfs/dbraw/zinc/84/80/93/386848093.db2.gz UXSXVJLNUQCZIR-OAHLLOKOSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1ccoc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000336674712 388462685 /nfs/dbraw/zinc/46/26/85/388462685.db2.gz BYGSUTLICRQXCK-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)C(C)C)CCC1 ZINC000336675014 386849588 /nfs/dbraw/zinc/84/95/88/386849588.db2.gz HEQBJTUNOFXDIV-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+]C1CCC2(CC2)CC1 ZINC000336675030 386846989 /nfs/dbraw/zinc/84/69/89/386846989.db2.gz PDVPMLBNSFIQCC-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC23CCC3)CCC1 ZINC000336675374 385596809 /nfs/dbraw/zinc/59/68/09/385596809.db2.gz BJVTZTFBPHJQHP-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC23CCC3)CCC1 ZINC000336675416 385596452 /nfs/dbraw/zinc/59/64/52/385596452.db2.gz BJVTZTFBPHJQHP-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccsc1 ZINC000336675619 385596530 /nfs/dbraw/zinc/59/65/30/385596530.db2.gz AKXQNPKAUSXIMV-GHMZBOCLSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccsc1 ZINC000336675704 176908853 /nfs/dbraw/zinc/90/88/53/176908853.db2.gz AKXQNPKAUSXIMV-MNOVXSKESA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccsc1 ZINC000336675705 385597704 /nfs/dbraw/zinc/59/77/04/385597704.db2.gz AKXQNPKAUSXIMV-QWRGUYRKSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccsc1 ZINC000336675706 385597807 /nfs/dbraw/zinc/59/78/07/385597807.db2.gz AKXQNPKAUSXIMV-WDEREUQCSA-N 1 0 223.385 3.977 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000336676044 385602062 /nfs/dbraw/zinc/60/20/62/385602062.db2.gz BHFUAALCJSUFNU-LLVKDONJSA-N 1 0 241.400 3.636 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CCC1CC1 ZINC000336676150 176032957 /nfs/dbraw/zinc/03/29/57/176032957.db2.gz CHGSHSLLSGZCID-JTQLQIEISA-N 1 0 209.358 3.541 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CCC1CC1 ZINC000336676151 177048953 /nfs/dbraw/zinc/04/89/53/177048953.db2.gz CHGSHSLLSGZCID-SNVBAGLBSA-N 1 0 209.358 3.541 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000336676722 385604982 /nfs/dbraw/zinc/60/49/82/385604982.db2.gz BHFUAALCJSUFNU-NSHDSACASA-N 1 0 241.400 3.636 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC000336677212 171365781 /nfs/dbraw/zinc/36/57/81/171365781.db2.gz DEFQUESMZDIANT-GXSJLCMTSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1csc(C)c1 ZINC000336677214 385609322 /nfs/dbraw/zinc/60/93/22/385609322.db2.gz DEFQUESMZDIANT-KOLCDFICSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC000336677216 384923266 /nfs/dbraw/zinc/92/32/66/384923266.db2.gz DEFQUESMZDIANT-MWLCHTKSSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1csc(C)c1 ZINC000336677218 171389359 /nfs/dbraw/zinc/38/93/59/171389359.db2.gz DEFQUESMZDIANT-ONGXEEELSA-N 1 0 211.374 3.581 20 0 BHADRO CC[N@H+](Cc1nc(C)c(C)s1)CC(C)(C)C ZINC000336677237 350438704 /nfs/dbraw/zinc/43/87/04/350438704.db2.gz WBIDEQPTFZEJNC-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000336677313 169365322 /nfs/dbraw/zinc/36/53/22/169365322.db2.gz NPXFYIZRKJZECT-SNVBAGLBSA-N 1 0 238.400 3.641 20 0 BHADRO CC1(C[NH2+]CCc2cccc(Cl)c2)CCC1 ZINC000336677419 168041386 /nfs/dbraw/zinc/04/13/86/168041386.db2.gz BNSLITPISWSXPN-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(F)c1 ZINC000336677823 385610550 /nfs/dbraw/zinc/61/05/50/385610550.db2.gz WIXJMVZJIVFFOM-BPNCWPANSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(F)c1 ZINC000336677830 385611444 /nfs/dbraw/zinc/61/14/44/385611444.db2.gz WIXJMVZJIVFFOM-DDTOSNHZSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(F)c1 ZINC000336677831 385612065 /nfs/dbraw/zinc/61/20/65/385612065.db2.gz WIXJMVZJIVFFOM-LEWSCRJBSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(F)c1 ZINC000336677832 385610719 /nfs/dbraw/zinc/61/07/19/385610719.db2.gz WIXJMVZJIVFFOM-SWHYSGLUSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccco1 ZINC000336678104 385616379 /nfs/dbraw/zinc/61/63/79/385616379.db2.gz CFUUNUJOPWICGA-BDAKNGLRSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000336678107 385616358 /nfs/dbraw/zinc/61/63/58/385616358.db2.gz CFUUNUJOPWICGA-DTWKUNHWSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000336678108 385615506 /nfs/dbraw/zinc/61/55/06/385615506.db2.gz CFUUNUJOPWICGA-IUCAKERBSA-N 1 0 235.249 3.661 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccco1 ZINC000336678109 385615760 /nfs/dbraw/zinc/61/57/60/385615760.db2.gz CFUUNUJOPWICGA-RKDXNWHRSA-N 1 0 235.249 3.661 20 0 BHADRO CSC1(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000336678649 385619380 /nfs/dbraw/zinc/61/93/80/385619380.db2.gz CUIKIFGWDHJOKO-BXUZGUMPSA-N 1 0 247.407 3.720 20 0 BHADRO CSC1(C[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000336678654 385615849 /nfs/dbraw/zinc/61/58/49/385615849.db2.gz CUIKIFGWDHJOKO-FZMZJTMJSA-N 1 0 247.407 3.720 20 0 BHADRO CSC1(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000336678657 175453977 /nfs/dbraw/zinc/45/39/77/175453977.db2.gz CUIKIFGWDHJOKO-RISCZKNCSA-N 1 0 247.407 3.720 20 0 BHADRO CSC1(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000336678659 385617658 /nfs/dbraw/zinc/61/76/58/385617658.db2.gz CUIKIFGWDHJOKO-SMDDNHRTSA-N 1 0 247.407 3.720 20 0 BHADRO CC1(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000336678663 168043018 /nfs/dbraw/zinc/04/30/18/168043018.db2.gz BYDUPEMXWSEPPF-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccsc2C)s1 ZINC000336678793 385616889 /nfs/dbraw/zinc/61/68/89/385616889.db2.gz IJGYGXTWOZRFMK-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO COCCC1(C[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000336679458 174156418 /nfs/dbraw/zinc/15/64/18/174156418.db2.gz ASESJMZEAAVSJS-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC1CCC(C)(C[NH2+]Cc2ccco2)CC1 ZINC000336679462 168150316 /nfs/dbraw/zinc/15/03/16/168150316.db2.gz AKGDFJJNCYTUSA-UHFFFAOYSA-N 1 0 221.344 3.586 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000336679463 174155658 /nfs/dbraw/zinc/15/56/58/174155658.db2.gz ASESJMZEAAVSJS-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC1)c1cccc(C)c1 ZINC000336679771 171548831 /nfs/dbraw/zinc/54/88/31/171548831.db2.gz XCKPDTUEOGLSNK-KBPBESRZSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC1)c1cccc(C)c1 ZINC000336679796 388462613 /nfs/dbraw/zinc/46/26/13/388462613.db2.gz XCKPDTUEOGLSNK-KGLIPLIRSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C)c1 ZINC000336679797 170914055 /nfs/dbraw/zinc/91/40/55/170914055.db2.gz XCKPDTUEOGLSNK-UONOGXRCSA-N 1 0 235.396 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C)c1 ZINC000336679799 365350679 /nfs/dbraw/zinc/35/06/79/365350679.db2.gz XCKPDTUEOGLSNK-ZIAGYGMSSA-N 1 0 235.396 3.541 20 0 BHADRO Cc1cc(C[NH2+]CC2CCC(C)CC2)cs1 ZINC000336679836 178020237 /nfs/dbraw/zinc/02/02/37/178020237.db2.gz XERNHSDHCFKDEW-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336680253 385629258 /nfs/dbraw/zinc/62/92/58/385629258.db2.gz XOWWFTMDYWDVMI-COPLHBTASA-N 1 0 235.396 3.576 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336680257 175524729 /nfs/dbraw/zinc/52/47/29/175524729.db2.gz XOWWFTMDYWDVMI-MJVIPROJSA-N 1 0 235.396 3.576 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336680713 385632316 /nfs/dbraw/zinc/63/23/16/385632316.db2.gz XOWWFTMDYWDVMI-SUNKGSAMSA-N 1 0 235.396 3.576 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336680714 385632249 /nfs/dbraw/zinc/63/22/49/385632249.db2.gz XOWWFTMDYWDVMI-UHIISALHSA-N 1 0 235.396 3.576 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1cccc(C)c1 ZINC000336680815 170892700 /nfs/dbraw/zinc/89/27/00/170892700.db2.gz BIBXEDZLOAUTSI-GFCCVEGCSA-N 1 0 245.288 3.988 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1cccc(C)c1 ZINC000336680857 385635301 /nfs/dbraw/zinc/63/53/01/385635301.db2.gz BIBXEDZLOAUTSI-LBPRGKRZSA-N 1 0 245.288 3.988 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC2(C)C)c(C)o1 ZINC000336681305 178258247 /nfs/dbraw/zinc/25/82/47/178258247.db2.gz YCWXHYPJJMPHGF-GWCFXTLKSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)o1 ZINC000336681316 178253068 /nfs/dbraw/zinc/25/30/68/178253068.db2.gz YCWXHYPJJMPHGF-GXFFZTMASA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c(C)o1 ZINC000336681317 178232445 /nfs/dbraw/zinc/23/24/45/178232445.db2.gz YCWXHYPJJMPHGF-MFKMUULPSA-N 1 0 221.344 3.736 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000336681423 385634413 /nfs/dbraw/zinc/63/44/13/385634413.db2.gz DQUJOKCQIHDELQ-CABCVRRESA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000336681426 169511379 /nfs/dbraw/zinc/51/13/79/169511379.db2.gz DQUJOKCQIHDELQ-GJZGRUSLSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000336681427 385079893 /nfs/dbraw/zinc/07/98/93/385079893.db2.gz DQUJOKCQIHDELQ-HUUCEWRRSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000336681428 169401061 /nfs/dbraw/zinc/40/10/61/169401061.db2.gz DQUJOKCQIHDELQ-LSDHHAIUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2ccco2)CC1 ZINC000336681710 385634806 /nfs/dbraw/zinc/63/48/06/385634806.db2.gz CZPONBSIGAIMBV-UHFFFAOYSA-N 1 0 221.344 3.728 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)o1 ZINC000336681797 178231596 /nfs/dbraw/zinc/23/15/96/178231596.db2.gz YCWXHYPJJMPHGF-ZWNOBZJWSA-N 1 0 221.344 3.736 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)COCC)c1ccsc1 ZINC000336682028 385638520 /nfs/dbraw/zinc/63/85/20/385638520.db2.gz DESOYHHBRVBSRX-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)COCC)c1ccsc1 ZINC000336682039 385639654 /nfs/dbraw/zinc/63/96/54/385639654.db2.gz DESOYHHBRVBSRX-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)COCC)c1ccsc1 ZINC000336682040 385639555 /nfs/dbraw/zinc/63/95/55/385639555.db2.gz DESOYHHBRVBSRX-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)COCC)c1ccsc1 ZINC000336682041 385638607 /nfs/dbraw/zinc/63/86/07/385638607.db2.gz DESOYHHBRVBSRX-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO Cc1cc(C[NH2+]CCC2CCCC2)cs1 ZINC000336682151 178020466 /nfs/dbraw/zinc/02/04/66/178020466.db2.gz JFBGJPJGXIPYFD-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1nc(C[N@@H+](CC(C)C)C(C)C)c(C)s1 ZINC000336682275 386339738 /nfs/dbraw/zinc/33/97/38/386339738.db2.gz RFRYZZDKZBLMPF-UHFFFAOYSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1sccc1C[NH2+]CCc1cccc(F)c1 ZINC000336682323 385642798 /nfs/dbraw/zinc/64/27/98/385642798.db2.gz DXBWVVQTWFAIDE-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccsc1C ZINC000336682774 385641684 /nfs/dbraw/zinc/64/16/84/385641684.db2.gz IPKAEZMNHMUBPN-NXEZZACHSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccsc1C ZINC000336682779 171389376 /nfs/dbraw/zinc/38/93/76/171389376.db2.gz IPKAEZMNHMUBPN-UWVGGRQHSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccsc1C ZINC000336682782 171366009 /nfs/dbraw/zinc/36/60/09/171366009.db2.gz IPKAEZMNHMUBPN-VHSXEESVSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccsc1C ZINC000336682785 385641834 /nfs/dbraw/zinc/64/18/34/385641834.db2.gz IPKAEZMNHMUBPN-ZJUUUORDSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)CCc1ccco1 ZINC000336682800 388462738 /nfs/dbraw/zinc/46/27/38/388462738.db2.gz FDEOYEBESKMXFT-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000336682809 388462705 /nfs/dbraw/zinc/46/27/05/388462705.db2.gz FDEOYEBESKMXFT-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccsc1Cl ZINC000336682881 385645649 /nfs/dbraw/zinc/64/56/49/385645649.db2.gz IRWSIWQTEAFXFR-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccsc1Cl ZINC000336682882 175656780 /nfs/dbraw/zinc/65/67/80/175656780.db2.gz IRWSIWQTEAFXFR-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)cs1 ZINC000336683286 178033607 /nfs/dbraw/zinc/03/36/07/178033607.db2.gz JTGOQQGZIXIFLE-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC(C)(C)C2)cs1 ZINC000336683288 178038811 /nfs/dbraw/zinc/03/88/11/178038811.db2.gz JTGOQQGZIXIFLE-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO c1csc(C[NH2+]CCC2CCCCCC2)n1 ZINC000336683679 385668607 /nfs/dbraw/zinc/66/86/07/385668607.db2.gz SKQSJSXJSHSRPH-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CC(C)SCC[NH2+]C(C1CCC1)C1CCC1 ZINC000336683692 167330391 /nfs/dbraw/zinc/33/03/91/167330391.db2.gz ZIGUPWVCKNRRPT-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CCCCF)C1 ZINC000336683770 179256319 /nfs/dbraw/zinc/25/63/19/179256319.db2.gz FJNJGHJOHJKHRJ-UHFFFAOYSA-N 1 0 235.346 3.580 20 0 BHADRO CC(C)SCC[NH2+]Cc1sccc1Cl ZINC000336684995 167331800 /nfs/dbraw/zinc/33/18/00/167331800.db2.gz KCCJNXMVWMXMFK-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000336685043 385681202 /nfs/dbraw/zinc/68/12/02/385681202.db2.gz IJRWCFIRXPBIOB-GXTWGEPZSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000336685069 385682572 /nfs/dbraw/zinc/68/25/72/385682572.db2.gz IJRWCFIRXPBIOB-JSGCOSHPSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC000336685438 387580924 /nfs/dbraw/zinc/58/09/24/387580924.db2.gz DIDYRMQKRCSCJP-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC000336685448 387580394 /nfs/dbraw/zinc/58/03/94/387580394.db2.gz DIDYRMQKRCSCJP-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCCO1 ZINC000336685449 387580680 /nfs/dbraw/zinc/58/06/80/387580680.db2.gz DIDYRMQKRCSCJP-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCCO1 ZINC000336685451 387580359 /nfs/dbraw/zinc/58/03/59/387580359.db2.gz DIDYRMQKRCSCJP-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1nc(C[NH2+]CC(C)(C)C(C)(C)C)cs1 ZINC000336685916 385697622 /nfs/dbraw/zinc/69/76/22/385697622.db2.gz SSQGPHNPBSFIJT-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H]1C ZINC000336686227 385702442 /nfs/dbraw/zinc/70/24/42/385702442.db2.gz DPKWDJAMIHVGEQ-HZMBPMFUSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCSC(C)C)s1 ZINC000336686269 385703496 /nfs/dbraw/zinc/70/34/96/385703496.db2.gz KYLCXVKEDBNICI-LLVKDONJSA-N 1 0 243.441 3.849 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCSC(C)C)s1 ZINC000336686275 385701983 /nfs/dbraw/zinc/70/19/83/385701983.db2.gz KYLCXVKEDBNICI-NSHDSACASA-N 1 0 243.441 3.849 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]1C ZINC000336686278 385698272 /nfs/dbraw/zinc/69/82/72/385698272.db2.gz DPKWDJAMIHVGEQ-IINYFYTJSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]1C ZINC000336686281 385698341 /nfs/dbraw/zinc/69/83/41/385698341.db2.gz DPKWDJAMIHVGEQ-QMTHXVAHSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@H]1C ZINC000336686287 385697298 /nfs/dbraw/zinc/69/72/98/385697298.db2.gz DPKWDJAMIHVGEQ-YGRLFVJLSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1nc(C[NH2+]C[C@@H](C)CC(C)C)sc1C ZINC000336687371 385152980 /nfs/dbraw/zinc/15/29/80/385152980.db2.gz VDCCDDAQCDPJMC-JTQLQIEISA-N 1 0 240.416 3.532 20 0 BHADRO Cc1nc(C[NH2+]C[C@H](C)CC(C)C)sc1C ZINC000336687374 398190245 /nfs/dbraw/zinc/19/02/45/398190245.db2.gz VDCCDDAQCDPJMC-SNVBAGLBSA-N 1 0 240.416 3.532 20 0 BHADRO c1csc(C[NH2+]CCCC2CCCCC2)n1 ZINC000336687383 388462572 /nfs/dbraw/zinc/46/25/72/388462572.db2.gz VEPZMJISMQGNKR-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CC1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336687399 168163287 /nfs/dbraw/zinc/16/32/87/168163287.db2.gz JHPHPOGBUPAMLC-UHFFFAOYSA-N 1 0 221.388 3.878 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCCC23CCCC3)c[nH]1 ZINC000336687687 183353117 /nfs/dbraw/zinc/35/31/17/183353117.db2.gz GRACIFUAMXYWIX-AWEZNQCLSA-N 1 0 232.371 3.607 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCCC23CCCC3)c[nH]1 ZINC000336687697 183351337 /nfs/dbraw/zinc/35/13/37/183351337.db2.gz GRACIFUAMXYWIX-CQSZACIVSA-N 1 0 232.371 3.607 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1sccc1Cl ZINC000336688039 167986206 /nfs/dbraw/zinc/98/62/06/167986206.db2.gz NDBQNUJNFOJROS-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC000336688041 192069423 /nfs/dbraw/zinc/06/94/23/192069423.db2.gz NDBQNUJNFOJROS-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO Clc1ccc([C@H](CC2CC2)[NH2+]C2CC2)cc1 ZINC000336688510 385711540 /nfs/dbraw/zinc/71/15/40/385711540.db2.gz JUIJVVAWZWIQFD-AWEZNQCLSA-N 1 0 235.758 3.933 20 0 BHADRO Clc1ccc([C@@H](CC2CC2)[NH2+]C2CC2)cc1 ZINC000336688511 385165586 /nfs/dbraw/zinc/16/55/86/385165586.db2.gz JUIJVVAWZWIQFD-CQSZACIVSA-N 1 0 235.758 3.933 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000336688627 175380393 /nfs/dbraw/zinc/38/03/93/175380393.db2.gz JYCKPLNNIWIRNN-DCAQKATOSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000336688628 175380707 /nfs/dbraw/zinc/38/07/07/175380707.db2.gz JYCKPLNNIWIRNN-GARJFASQSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000336688629 175380589 /nfs/dbraw/zinc/38/05/89/175380589.db2.gz JYCKPLNNIWIRNN-OUAUKWLOSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000336688630 175380530 /nfs/dbraw/zinc/38/05/30/175380530.db2.gz JYCKPLNNIWIRNN-VWYCJHECSA-N 1 0 239.384 3.596 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccsc1Cl ZINC000336688895 167331956 /nfs/dbraw/zinc/33/19/56/167331956.db2.gz NUXQSRAVNAWZCM-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSc1ccc(C[NH2+]CCC2(C)CC2)cc1 ZINC000336689440 385710543 /nfs/dbraw/zinc/71/05/43/385710543.db2.gz KDCAKFASIOYOQX-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000336689582 175380179 /nfs/dbraw/zinc/38/01/79/175380179.db2.gz KDHFONNHUXWOBX-JTQLQIEISA-N 1 0 239.384 3.598 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000336689617 175380003 /nfs/dbraw/zinc/38/00/03/175380003.db2.gz KDHFONNHUXWOBX-SNVBAGLBSA-N 1 0 239.384 3.598 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1nc(C)sc1C ZINC000336689677 171278278 /nfs/dbraw/zinc/27/82/78/171278278.db2.gz ZWARMXTZQAHOIE-JTQLQIEISA-N 1 0 240.416 3.628 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1nc(C)sc1C ZINC000336689858 386354420 /nfs/dbraw/zinc/35/44/20/386354420.db2.gz ZWARMXTZQAHOIE-SNVBAGLBSA-N 1 0 240.416 3.628 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000336689914 385718312 /nfs/dbraw/zinc/71/83/12/385718312.db2.gz KGFMHFLWNCWGPY-LLVKDONJSA-N 1 0 241.375 3.538 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000336689931 385719044 /nfs/dbraw/zinc/71/90/44/385719044.db2.gz KGFMHFLWNCWGPY-NSHDSACASA-N 1 0 241.375 3.538 20 0 BHADRO Cc1sccc1C[NH2+]CCCC(C)C ZINC000336690238 385725380 /nfs/dbraw/zinc/72/53/80/385725380.db2.gz OMLYBXBCVFZANW-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO Cc1nc(C[N@@H+](C)C2CCCCC2)c(C)s1 ZINC000336690262 386370998 /nfs/dbraw/zinc/37/09/98/386370998.db2.gz APZUCQSWXQBTLY-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)C)cs1 ZINC000336690311 178020612 /nfs/dbraw/zinc/02/06/12/178020612.db2.gz OYJGHGOHJXFZCR-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CCSCCC[NH2+]Cc1sccc1Cl ZINC000336691152 385727640 /nfs/dbraw/zinc/72/76/40/385727640.db2.gz PFOXMPVGXHGYRR-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC000336691472 350448019 /nfs/dbraw/zinc/44/80/19/350448019.db2.gz BLFBEEFWUSVKGM-GFCCVEGCSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC000336691475 386360546 /nfs/dbraw/zinc/36/05/46/386360546.db2.gz BLFBEEFWUSVKGM-LBPRGKRZSA-N 1 0 238.400 3.524 20 0 BHADRO FCCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000336691679 388463897 /nfs/dbraw/zinc/46/38/97/388463897.db2.gz KRQMUXCQIYDLNU-CYBMUJFWSA-N 1 0 241.737 3.667 20 0 BHADRO FCCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000336691688 388463523 /nfs/dbraw/zinc/46/35/23/388463523.db2.gz KRQMUXCQIYDLNU-ZDUSSCGKSA-N 1 0 241.737 3.667 20 0 BHADRO Clc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000336691710 385248686 /nfs/dbraw/zinc/24/86/86/385248686.db2.gz KSQBJEOTSJJGMK-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336692296 176020348 /nfs/dbraw/zinc/02/03/48/176020348.db2.gz DPAFKXBWGBELQQ-DZGCQCFKSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336692359 177039174 /nfs/dbraw/zinc/03/91/74/177039174.db2.gz DPAFKXBWGBELQQ-HIFRSBDPSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336692361 177039443 /nfs/dbraw/zinc/03/94/43/177039443.db2.gz DPAFKXBWGBELQQ-UKRRQHHQSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336692364 176020475 /nfs/dbraw/zinc/02/04/75/176020475.db2.gz DPAFKXBWGBELQQ-ZFWWWQNUSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1sccc1C[NH2+]CCC(C)(C)C ZINC000336692440 385734178 /nfs/dbraw/zinc/73/41/78/385734178.db2.gz QJLOOFAUGGOQQB-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC(C)[N@H+](CCC1CC1)Cc1cccs1 ZINC000336692884 386366238 /nfs/dbraw/zinc/36/62/38/386366238.db2.gz ANQIEUATVXOBMI-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO c1csc(C[N@@H+](CCC2CC2)C2CC2)c1 ZINC000336693145 386366280 /nfs/dbraw/zinc/36/62/80/386366280.db2.gz BVDNAQZQQHMWTI-UHFFFAOYSA-N 1 0 221.369 3.513 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1cccc(C)c1 ZINC000336693243 385737105 /nfs/dbraw/zinc/73/71/05/385737105.db2.gz NILQOQCLEBVGRE-AWEZNQCLSA-N 1 0 203.329 3.588 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000336693352 386365410 /nfs/dbraw/zinc/36/54/10/386365410.db2.gz JFHKHUVGHKAHGO-GXTWGEPZSA-N 1 0 245.366 3.521 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000336693366 386366959 /nfs/dbraw/zinc/36/69/59/386366959.db2.gz JFHKHUVGHKAHGO-JSGCOSHPSA-N 1 0 245.366 3.521 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000336693370 386366332 /nfs/dbraw/zinc/36/63/32/386366332.db2.gz JFHKHUVGHKAHGO-OCCSQVGLSA-N 1 0 245.366 3.521 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000336693372 386365597 /nfs/dbraw/zinc/36/55/97/386365597.db2.gz JFHKHUVGHKAHGO-TZMCWYRMSA-N 1 0 245.366 3.521 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1cccc(C)c1 ZINC000336693382 170889616 /nfs/dbraw/zinc/88/96/16/170889616.db2.gz NILQOQCLEBVGRE-CQSZACIVSA-N 1 0 203.329 3.588 20 0 BHADRO Cc1nc(C[N@@H+](C(C)C)C2CCC2)c(C)s1 ZINC000336693426 386366178 /nfs/dbraw/zinc/36/61/78/386366178.db2.gz CVPUQXRRUKVOEC-UHFFFAOYSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000336693503 388463429 /nfs/dbraw/zinc/46/34/29/388463429.db2.gz LEFJEPPIKRDXAB-CYBMUJFWSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCCC1(C)C ZINC000336693505 180543898 /nfs/dbraw/zinc/54/38/98/180543898.db2.gz LEFJEPPIKRDXAB-ZDUSSCGKSA-N 1 0 221.344 3.646 20 0 BHADRO CC(C)SCC[NH2+]Cc1coc2ccccc12 ZINC000336693870 167332789 /nfs/dbraw/zinc/33/27/89/167332789.db2.gz ICXAOEYKMULBRA-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO FC1(CC[NH2+]Cc2ccccc2Cl)CCC1 ZINC000336693923 388463845 /nfs/dbraw/zinc/46/38/45/388463845.db2.gz YGAOGCINPQCVCP-UHFFFAOYSA-N 1 0 241.737 3.712 20 0 BHADRO CC[C@H]([NH2+]CC(C)C)c1cccc(C)c1 ZINC000336694892 385742169 /nfs/dbraw/zinc/74/21/69/385742169.db2.gz NRTCUMUVWHREGL-AWEZNQCLSA-N 1 0 205.345 3.692 20 0 BHADRO CC[C@@H]([NH2+]CC(C)C)c1cccc(C)c1 ZINC000336694898 385742562 /nfs/dbraw/zinc/74/25/62/385742562.db2.gz NRTCUMUVWHREGL-CQSZACIVSA-N 1 0 205.345 3.692 20 0 BHADRO CCCC[N@H+](Cc1nc(C)sc1C)C1CC1 ZINC000336694971 386370162 /nfs/dbraw/zinc/37/01/62/386370162.db2.gz FLOAOXKBOYINFI-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H]1C ZINC000336695750 388463335 /nfs/dbraw/zinc/46/33/35/388463335.db2.gz ILTTVNXIMAMFAM-OXHZDVMGSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@@H]1C ZINC000336695787 388463574 /nfs/dbraw/zinc/46/35/74/388463574.db2.gz ILTTVNXIMAMFAM-RFHZTLPTSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H]1C ZINC000336695790 388463834 /nfs/dbraw/zinc/46/38/34/388463834.db2.gz ILTTVNXIMAMFAM-WVWOOGAGSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@H]1C ZINC000336695794 388463400 /nfs/dbraw/zinc/46/34/00/388463400.db2.gz ILTTVNXIMAMFAM-XWUBHJNHSA-N 1 0 247.407 3.858 20 0 BHADRO CC(C)CCC[NH2+]CC1(C(F)(F)F)CCC1 ZINC000336696760 385746163 /nfs/dbraw/zinc/74/61/63/385746163.db2.gz YYOJOXDPGGXGFT-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO CSc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000336696778 385292397 /nfs/dbraw/zinc/29/23/97/385292397.db2.gz MATJCJUBBKPPLV-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO CC[N@H+](Cc1nc(C)sc1C)C1CCCC1 ZINC000336696881 350451986 /nfs/dbraw/zinc/45/19/86/350451986.db2.gz HNEBKDKIVOEKSA-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO FCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000336696953 180934078 /nfs/dbraw/zinc/93/40/78/180934078.db2.gz MDNDFGGLZSHATA-CYBMUJFWSA-N 1 0 241.737 3.740 20 0 BHADRO FCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000336696954 398197968 /nfs/dbraw/zinc/19/79/68/398197968.db2.gz MDNDFGGLZSHATA-ZDUSSCGKSA-N 1 0 241.737 3.740 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CCC2CC2)cs1 ZINC000336697354 183364067 /nfs/dbraw/zinc/36/40/67/183364067.db2.gz OGYKUVLSOYLUAO-CYBMUJFWSA-N 1 0 221.369 3.685 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CCC12CCC2 ZINC000336697472 490268878 /nfs/dbraw/zinc/26/88/78/490268878.db2.gz ZENZIFBKVNVMBG-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CCC12CCC2 ZINC000336697474 490269065 /nfs/dbraw/zinc/26/90/65/490269065.db2.gz ZENZIFBKVNVMBG-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CCC2CC2)cs1 ZINC000336697548 183360927 /nfs/dbraw/zinc/36/09/27/183360927.db2.gz OGYKUVLSOYLUAO-ZDUSSCGKSA-N 1 0 221.369 3.685 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCF)c2ccccc21 ZINC000336697755 176232969 /nfs/dbraw/zinc/23/29/69/176232969.db2.gz IZPGOYIRSBKNAH-DOMZBBRYSA-N 1 0 235.346 3.964 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCF)c2ccccc21 ZINC000336697813 176212428 /nfs/dbraw/zinc/21/24/28/176212428.db2.gz IZPGOYIRSBKNAH-IUODEOHRSA-N 1 0 235.346 3.964 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCCF)c2ccccc21 ZINC000336697816 177193321 /nfs/dbraw/zinc/19/33/21/177193321.db2.gz IZPGOYIRSBKNAH-SWLSCSKDSA-N 1 0 235.346 3.964 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCCF)c2ccccc21 ZINC000336697818 177204449 /nfs/dbraw/zinc/20/44/49/177204449.db2.gz IZPGOYIRSBKNAH-WFASDCNBSA-N 1 0 235.346 3.964 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000336697880 388464311 /nfs/dbraw/zinc/46/43/11/388464311.db2.gz JAIMTISZTDETAW-JTQLQIEISA-N 1 0 249.276 3.799 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000336697911 385755253 /nfs/dbraw/zinc/75/52/53/385755253.db2.gz JAIMTISZTDETAW-SNVBAGLBSA-N 1 0 249.276 3.799 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1csc(C)c1 ZINC000336698740 168310882 /nfs/dbraw/zinc/31/08/82/168310882.db2.gz VQTGWVXRMPNIAI-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000336698966 180542419 /nfs/dbraw/zinc/54/24/19/180542419.db2.gz MZGCHBGNKPZVTH-CYBMUJFWSA-N 1 0 221.344 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000336698968 385751940 /nfs/dbraw/zinc/75/19/40/385751940.db2.gz MZGCHBGNKPZVTH-ZDUSSCGKSA-N 1 0 221.344 3.646 20 0 BHADRO C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000336699454 385755124 /nfs/dbraw/zinc/75/51/24/385755124.db2.gz ZTQYKDLOOHRUBM-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000336699560 187818421 /nfs/dbraw/zinc/81/84/21/187818421.db2.gz ZTQYKDLOOHRUBM-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000336699562 388464396 /nfs/dbraw/zinc/46/43/96/388464396.db2.gz ZTQYKDLOOHRUBM-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000336699564 388464389 /nfs/dbraw/zinc/46/43/89/388464389.db2.gz ZTQYKDLOOHRUBM-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2CCC2CC2)c1 ZINC000336700020 386387228 /nfs/dbraw/zinc/38/72/28/386387228.db2.gz YHZYVXFORPVLJF-GFCCVEGCSA-N 1 0 221.369 3.685 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2CCC2CC2)c1 ZINC000336700023 386387613 /nfs/dbraw/zinc/38/76/13/386387613.db2.gz YHZYVXFORPVLJF-LBPRGKRZSA-N 1 0 221.369 3.685 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000336700303 398240010 /nfs/dbraw/zinc/24/00/10/398240010.db2.gz NKQBCQGLPNJNPH-LLVKDONJSA-N 1 0 241.400 3.690 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000336700310 398240086 /nfs/dbraw/zinc/24/00/86/398240086.db2.gz NKQBCQGLPNJNPH-NSHDSACASA-N 1 0 241.400 3.690 20 0 BHADRO Cc1nc(C)c(C[NH+]2[C@H](C)CCC[C@H]2C)s1 ZINC000336700745 386400477 /nfs/dbraw/zinc/40/04/77/386400477.db2.gz LGIJECDXDWITNE-NXEZZACHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C)c(C[NH+]2[C@@H](C)CCC[C@@H]2C)s1 ZINC000336700749 386400418 /nfs/dbraw/zinc/40/04/18/386400418.db2.gz LGIJECDXDWITNE-UWVGGRQHSA-N 1 0 238.400 3.523 20 0 BHADRO CCCC[N@H+](Cc1sc(C)nc1C)C1CC1 ZINC000336700850 386400972 /nfs/dbraw/zinc/40/09/72/386400972.db2.gz LJSVTOIPTRBHNN-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1cccs1 ZINC000336702509 388465685 /nfs/dbraw/zinc/46/56/85/388465685.db2.gz ZEDPDYOPHCRNDC-JTQLQIEISA-N 1 0 215.337 3.539 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1cccs1 ZINC000336702523 385770072 /nfs/dbraw/zinc/77/00/72/385770072.db2.gz ZEDPDYOPHCRNDC-SNVBAGLBSA-N 1 0 215.337 3.539 20 0 BHADRO CSCc1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000336702557 388465676 /nfs/dbraw/zinc/46/56/76/388465676.db2.gz OEAUXNCRLMERJM-GFCCVEGCSA-N 1 0 237.412 3.684 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000336702588 388465491 /nfs/dbraw/zinc/46/54/91/388465491.db2.gz OEAUXNCRLMERJM-LBPRGKRZSA-N 1 0 237.412 3.684 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCc2ccccc21 ZINC000336702673 167333293 /nfs/dbraw/zinc/33/32/93/167333293.db2.gz LLDXXJPGLCEHME-HNNXBMFYSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000336702686 167331673 /nfs/dbraw/zinc/33/16/73/167331673.db2.gz LLDXXJPGLCEHME-OAHLLOKOSA-N 1 0 249.423 3.795 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336702994 168353051 /nfs/dbraw/zinc/35/30/51/168353051.db2.gz BBMYYHIOSVQIMM-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336702995 168349701 /nfs/dbraw/zinc/34/97/01/168349701.db2.gz BBMYYHIOSVQIMM-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000336703679 386389312 /nfs/dbraw/zinc/38/93/12/386389312.db2.gz HBZHOQGSSBASBW-CYBMUJFWSA-N 1 0 248.414 3.788 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000336703741 171278787 /nfs/dbraw/zinc/27/87/87/171278787.db2.gz HBZHOQGSSBASBW-ZDUSSCGKSA-N 1 0 248.414 3.788 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cccc(C)n1 ZINC000336703751 168350558 /nfs/dbraw/zinc/35/05/58/168350558.db2.gz BTTVHUBRKORMTR-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO CSc1cccc(F)c1C[NH2+][C@@H](C)C(C)C ZINC000336704200 385782659 /nfs/dbraw/zinc/78/26/59/385782659.db2.gz OYFMVSOCXCLVLN-JTQLQIEISA-N 1 0 241.375 3.682 20 0 BHADRO CSc1cccc(F)c1C[NH2+][C@H](C)C(C)C ZINC000336704204 385783071 /nfs/dbraw/zinc/78/30/71/385783071.db2.gz OYFMVSOCXCLVLN-SNVBAGLBSA-N 1 0 241.375 3.682 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336704309 385785145 /nfs/dbraw/zinc/78/51/45/385785145.db2.gz PBAJJZSMHKYLMK-CHWSQXEVSA-N 1 0 247.423 3.638 20 0 BHADRO Cc1nc(C)c(C[N@H+]2CCCCC[C@@H]2C)s1 ZINC000336704336 386392070 /nfs/dbraw/zinc/39/20/70/386392070.db2.gz RXDKYXDRDSOARD-JTQLQIEISA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C)c(C[N@H+]2CCCCC[C@H]2C)s1 ZINC000336704338 386392289 /nfs/dbraw/zinc/39/22/89/386392289.db2.gz RXDKYXDRDSOARD-SNVBAGLBSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C[N@H+]2CCCCC[C@@H]2C)c(C)s1 ZINC000336704369 386392270 /nfs/dbraw/zinc/39/22/70/386392270.db2.gz UYFJAJGJAPEMOV-JTQLQIEISA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C[N@H+]2CCCCC[C@H]2C)c(C)s1 ZINC000336704370 386392786 /nfs/dbraw/zinc/39/27/86/386392786.db2.gz UYFJAJGJAPEMOV-SNVBAGLBSA-N 1 0 238.400 3.524 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336704396 385785664 /nfs/dbraw/zinc/78/56/64/385785664.db2.gz PBAJJZSMHKYLMK-OLZOCXBDSA-N 1 0 247.423 3.638 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336704397 385784830 /nfs/dbraw/zinc/78/48/30/385784830.db2.gz PBAJJZSMHKYLMK-QWHCGFSZSA-N 1 0 247.423 3.638 20 0 BHADRO CSCCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336704398 385784854 /nfs/dbraw/zinc/78/48/54/385784854.db2.gz PBAJJZSMHKYLMK-STQMWFEESA-N 1 0 247.423 3.638 20 0 BHADRO CC1(C[NH2+]CCC2=CCCCC2)CCC1 ZINC000336704421 537830344 /nfs/dbraw/zinc/83/03/44/537830344.db2.gz QSFCBSZDZXRCTP-UHFFFAOYSA-N 1 0 207.361 3.657 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000336704456 351069846 /nfs/dbraw/zinc/06/98/46/351069846.db2.gz LZSGVXDIMBJUIV-BXUZGUMPSA-N 1 0 247.407 3.654 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000336704478 351068676 /nfs/dbraw/zinc/06/86/76/351068676.db2.gz LZSGVXDIMBJUIV-FZMZJTMJSA-N 1 0 247.407 3.654 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000336704482 351069577 /nfs/dbraw/zinc/06/95/77/351069577.db2.gz LZSGVXDIMBJUIV-RISCZKNCSA-N 1 0 247.407 3.654 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000336704484 385785724 /nfs/dbraw/zinc/78/57/24/385785724.db2.gz LZSGVXDIMBJUIV-SMDDNHRTSA-N 1 0 247.407 3.654 20 0 BHADRO CCC(CC)C[N@H+](Cc1cccnc1)C(C)C ZINC000336704916 168350336 /nfs/dbraw/zinc/35/03/36/168350336.db2.gz DBLBTGVEXUPHBX-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO CC[N@H+](CCC1CC1)[C@H](C)c1cccc(O)c1 ZINC000336705500 386395481 /nfs/dbraw/zinc/39/54/81/386395481.db2.gz AYVKVDQOVSCCGO-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO CC[N@H+](CCC1CC1)[C@@H](C)c1cccc(O)c1 ZINC000336705502 386395030 /nfs/dbraw/zinc/39/50/30/386395030.db2.gz AYVKVDQOVSCCGO-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO CSC1(C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC000336705614 351071792 /nfs/dbraw/zinc/07/17/92/351071792.db2.gz CFKBUCGSHRNCFH-UITAMQMPSA-N 1 0 247.407 3.575 20 0 BHADRO Cc1occc1C[NH2+]C1CCC(C)(C)CC1 ZINC000336705865 385790497 /nfs/dbraw/zinc/79/04/97/385790497.db2.gz PPIDMYDOPCHHKJ-UHFFFAOYSA-N 1 0 221.344 3.646 20 0 BHADRO C([NH2+]C(C1CCC1)C1CCC1)C1(C2CC2)CC1 ZINC000336705963 188438113 /nfs/dbraw/zinc/43/81/13/188438113.db2.gz MSUSZZVXMXNJQT-UHFFFAOYSA-N 1 0 233.399 3.735 20 0 BHADRO FCCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000336706156 385791614 /nfs/dbraw/zinc/79/16/14/385791614.db2.gz RIOSIVCXDVUDAT-GFCCVEGCSA-N 1 0 227.348 3.539 20 0 BHADRO FCCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000336706157 385792820 /nfs/dbraw/zinc/79/28/20/385792820.db2.gz RIOSIVCXDVUDAT-LBPRGKRZSA-N 1 0 227.348 3.539 20 0 BHADRO Cc1sccc1C[NH2+]CCc1ccccc1F ZINC000336706640 180564386 /nfs/dbraw/zinc/56/43/86/180564386.db2.gz LLJPARIVYHPBAT-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO c1ccc([C@@H]2CSCC[N@H+]2CCC2CC2)cc1 ZINC000336707268 386411546 /nfs/dbraw/zinc/41/15/46/386411546.db2.gz MMZUNIFRJXBYSA-HNNXBMFYSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2CSCC[N@H+]2CCC2CC2)cc1 ZINC000336707429 386410437 /nfs/dbraw/zinc/41/04/37/386410437.db2.gz MMZUNIFRJXBYSA-OAHLLOKOSA-N 1 0 247.407 3.577 20 0 BHADRO Cc1occc1C[NH2+]CC1CCCCCC1 ZINC000336708278 388466674 /nfs/dbraw/zinc/46/66/74/388466674.db2.gz QSOMODXYLDUVKX-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO Cc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)s1 ZINC000336708503 386416012 /nfs/dbraw/zinc/41/60/12/386416012.db2.gz UWAMUBXJVTWORR-AOOOYVTPSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[NH+]2[C@H](C)CCC[C@H]2C)c(C)s1 ZINC000336708506 386413581 /nfs/dbraw/zinc/41/35/81/386413581.db2.gz UWAMUBXJVTWORR-NXEZZACHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)s1 ZINC000336708508 386415102 /nfs/dbraw/zinc/41/51/02/386415102.db2.gz UWAMUBXJVTWORR-UWVGGRQHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCSC(C)C)s1 ZINC000336708933 386419227 /nfs/dbraw/zinc/41/92/27/386419227.db2.gz SOEBAUAQANLDDJ-UHFFFAOYSA-N 1 0 243.441 3.630 20 0 BHADRO FC1(F)CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000336709417 385796043 /nfs/dbraw/zinc/79/60/43/385796043.db2.gz RFNAABZPOLUIHF-UHFFFAOYSA-N 1 0 245.338 3.663 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000336709603 167936160 /nfs/dbraw/zinc/93/61/60/167936160.db2.gz OOZOHJFKVOWHHR-HNNXBMFYSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000336709615 187231056 /nfs/dbraw/zinc/23/10/56/187231056.db2.gz OOZOHJFKVOWHHR-OAHLLOKOSA-N 1 0 229.367 3.842 20 0 BHADRO Cc1nc(C[N@@H+](C(C)C)C2CCC2)sc1C ZINC000336710486 386426663 /nfs/dbraw/zinc/42/66/63/386426663.db2.gz ZEWNIPGHIOUODG-UHFFFAOYSA-N 1 0 238.400 3.523 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000336710583 168351136 /nfs/dbraw/zinc/35/11/36/168351136.db2.gz LHOVSZPQQSGRBZ-CYBMUJFWSA-N 1 0 236.359 3.556 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000336710686 168351632 /nfs/dbraw/zinc/35/16/32/168351632.db2.gz LHOVSZPQQSGRBZ-ZDUSSCGKSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1ccsc1C[N@@H+](C)CCSC(C)C ZINC000336710972 386427761 /nfs/dbraw/zinc/42/77/61/386427761.db2.gz UBEKFMJGEYOLNN-UHFFFAOYSA-N 1 0 243.441 3.630 20 0 BHADRO CC[N@H+](Cc1cccc(C)n1)C1CCCCC1 ZINC000336711603 350459306 /nfs/dbraw/zinc/45/93/06/350459306.db2.gz RKAHNCPAXUDTBC-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1sccc1C[NH2+]CC1(C(C)C)CC1 ZINC000336711604 385798175 /nfs/dbraw/zinc/79/81/75/385798175.db2.gz UJWVTQRGCUKJLQ-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)s1 ZINC000336711843 388466477 /nfs/dbraw/zinc/46/64/77/388466477.db2.gz SIGMPTLLUOCDIZ-JTQLQIEISA-N 1 0 245.338 3.724 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)s1 ZINC000336711853 385803358 /nfs/dbraw/zinc/80/33/58/385803358.db2.gz SIGMPTLLUOCDIZ-SNVBAGLBSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(C)s1 ZINC000336712478 178255685 /nfs/dbraw/zinc/25/56/85/178255685.db2.gz UYWGNRYVUWRIOA-DFAYQTQMSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c(C)s1 ZINC000336712484 178260193 /nfs/dbraw/zinc/26/01/93/178260193.db2.gz UYWGNRYVUWRIOA-DVYJOKAKSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(C)s1 ZINC000336712487 178258307 /nfs/dbraw/zinc/25/83/07/178258307.db2.gz UYWGNRYVUWRIOA-FWDPORAESA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(C)s1 ZINC000336712489 178256355 /nfs/dbraw/zinc/25/63/55/178256355.db2.gz UYWGNRYVUWRIOA-GMOODISLSA-N 1 0 223.385 3.814 20 0 BHADRO Cc1cccc(C[N@@H+](C)C2CCCCCC2)n1 ZINC000336712719 179064666 /nfs/dbraw/zinc/06/46/66/179064666.db2.gz OPKRAFAUOFJBQR-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1sccc1C[NH2+]CCC1=CCCC1 ZINC000336712895 398205141 /nfs/dbraw/zinc/20/51/41/398205141.db2.gz VHJMWIXPVCFIMA-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO CC[N@H+](CCSC(C)C)Cc1cccs1 ZINC000336713019 386429473 /nfs/dbraw/zinc/42/94/73/386429473.db2.gz VHYGHKIVZFGMEF-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CCC[C@@H]1C ZINC000336713070 180566027 /nfs/dbraw/zinc/56/60/27/180566027.db2.gz VIWSXJUUKPSZFK-CMPLNLGQSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000336713073 385803274 /nfs/dbraw/zinc/80/32/74/385803274.db2.gz VIWSXJUUKPSZFK-JQWIXIFHSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CCC[C@H]1C ZINC000336713077 385803590 /nfs/dbraw/zinc/80/35/90/385803590.db2.gz VIWSXJUUKPSZFK-PWSUYJOCSA-N 1 0 223.385 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CCC[C@H]1C ZINC000336713080 180565493 /nfs/dbraw/zinc/56/54/93/180565493.db2.gz VIWSXJUUKPSZFK-ZYHUDNBSSA-N 1 0 223.385 3.582 20 0 BHADRO CCSCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000336713164 385807593 /nfs/dbraw/zinc/80/75/93/385807593.db2.gz VKDUZMQNQFHRAI-GFCCVEGCSA-N 1 0 241.425 3.542 20 0 BHADRO CCSCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000336713188 385807718 /nfs/dbraw/zinc/80/77/18/385807718.db2.gz VKDUZMQNQFHRAI-LBPRGKRZSA-N 1 0 241.425 3.542 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCC2)cs1 ZINC000336713232 178021334 /nfs/dbraw/zinc/02/13/34/178021334.db2.gz VLABJNMNDQRSJL-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(C)c1 ZINC000336713867 398240886 /nfs/dbraw/zinc/24/08/86/398240886.db2.gz ROCKEVPGCKBRGJ-CABCVRRESA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C)c1 ZINC000336713868 398240870 /nfs/dbraw/zinc/24/08/70/398240870.db2.gz ROCKEVPGCKBRGJ-GJZGRUSLSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(C)c1 ZINC000336713869 170900376 /nfs/dbraw/zinc/90/03/76/170900376.db2.gz ROCKEVPGCKBRGJ-HUUCEWRRSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C)c1 ZINC000336713870 398240864 /nfs/dbraw/zinc/24/08/64/398240864.db2.gz ROCKEVPGCKBRGJ-LSDHHAIUSA-N 1 0 249.423 3.931 20 0 BHADRO CC(C)SCC[NH2+]Cc1cccc(Cl)c1 ZINC000336714869 167330165 /nfs/dbraw/zinc/33/01/65/167330165.db2.gz WKOLGZXENNSVGT-UHFFFAOYSA-N 1 0 243.803 3.571 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000336715002 388467604 /nfs/dbraw/zinc/46/76/04/388467604.db2.gz VERGWFMOMPUQSI-CKYFFXLPSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000336715034 180941490 /nfs/dbraw/zinc/94/14/90/180941490.db2.gz VERGWFMOMPUQSI-FOGDFJRCSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000336715035 388467782 /nfs/dbraw/zinc/46/77/82/388467782.db2.gz VERGWFMOMPUQSI-JFGNBEQYSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000336715037 388467761 /nfs/dbraw/zinc/46/77/61/388467761.db2.gz VERGWFMOMPUQSI-SCVCMEIPSA-N 1 0 239.359 3.606 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCC1(C)CC1 ZINC000336715202 179037248 /nfs/dbraw/zinc/03/72/48/179037248.db2.gz VLMCKJWGECJFPP-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000336715439 180565512 /nfs/dbraw/zinc/56/55/12/180565512.db2.gz WPGHKGZFNOVAJY-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCCC1(C)C ZINC000336715442 388468232 /nfs/dbraw/zinc/46/82/32/388468232.db2.gz WPGHKGZFNOVAJY-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1OC ZINC000336715535 388467469 /nfs/dbraw/zinc/46/74/69/388467469.db2.gz SPKIZTQMSLUQKO-FPMFFAJLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1OC ZINC000336715541 388467556 /nfs/dbraw/zinc/46/75/56/388467556.db2.gz SPKIZTQMSLUQKO-KWCYVHTRSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1OC ZINC000336715542 171549943 /nfs/dbraw/zinc/54/99/43/171549943.db2.gz SPKIZTQMSLUQKO-UBHSHLNASA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1OC ZINC000336715544 388468241 /nfs/dbraw/zinc/46/82/41/388468241.db2.gz SPKIZTQMSLUQKO-XBFCOCLRSA-N 1 0 233.355 3.534 20 0 BHADRO Clc1ccsc1C[NH2+]CCC1=CCCC1 ZINC000336716023 385813516 /nfs/dbraw/zinc/81/35/16/385813516.db2.gz WUYXZIWSTYPNOS-UHFFFAOYSA-N 1 0 241.787 3.992 20 0 BHADRO CC[NH+](CC)Cc1csc2ccccc12 ZINC000336716101 169791657 /nfs/dbraw/zinc/79/16/57/169791657.db2.gz XEMXVQNVUUJFIW-UHFFFAOYSA-N 1 0 219.353 3.743 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000336716598 167323049 /nfs/dbraw/zinc/32/30/49/167323049.db2.gz UBYHAXGWTVCILO-HNNXBMFYSA-N 1 0 249.423 3.747 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000336716611 167323671 /nfs/dbraw/zinc/32/36/71/167323671.db2.gz UBYHAXGWTVCILO-OAHLLOKOSA-N 1 0 249.423 3.747 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000336716825 388467734 /nfs/dbraw/zinc/46/77/34/388467734.db2.gz XNLDBFVHWOVYNO-FPMFFAJLSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000336716827 388467843 /nfs/dbraw/zinc/46/78/43/388467843.db2.gz XNLDBFVHWOVYNO-KWCYVHTRSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000336716828 388467634 /nfs/dbraw/zinc/46/76/34/388467634.db2.gz XNLDBFVHWOVYNO-UBHSHLNASA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000336716829 171550047 /nfs/dbraw/zinc/55/00/47/171550047.db2.gz XNLDBFVHWOVYNO-XBFCOCLRSA-N 1 0 203.329 3.526 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCCC23CCCC3)co1 ZINC000336717289 183353593 /nfs/dbraw/zinc/35/35/93/183353593.db2.gz QKEHWUXXWLLOAU-AWEZNQCLSA-N 1 0 233.355 3.872 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCCC23CCCC3)co1 ZINC000336717291 183352576 /nfs/dbraw/zinc/35/25/76/183352576.db2.gz QKEHWUXXWLLOAU-CQSZACIVSA-N 1 0 233.355 3.872 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000336717343 385837641 /nfs/dbraw/zinc/83/76/41/385837641.db2.gz WRBRXXMDFLXODM-LLVKDONJSA-N 1 0 229.314 3.510 20 0 BHADRO FC1(F)CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000336717344 385837258 /nfs/dbraw/zinc/83/72/58/385837258.db2.gz WRBRXXMDFLXODM-NSHDSACASA-N 1 0 229.314 3.510 20 0 BHADRO CCC1(C[NH2+]Cc2csc(C)c2)CCC1 ZINC000336717704 385169906 /nfs/dbraw/zinc/16/99/06/385169906.db2.gz YEQFMDBCGMZJJQ-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1cccc(C)c1 ZINC000336717746 171533057 /nfs/dbraw/zinc/53/30/57/171533057.db2.gz UTAGNTPWYKRZJY-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(C)c1 ZINC000336717807 385841117 /nfs/dbraw/zinc/84/11/17/385841117.db2.gz UTAGNTPWYKRZJY-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO Cc1sccc1C[NH2+]CCc1ccc(F)cc1 ZINC000336718804 385845832 /nfs/dbraw/zinc/84/58/32/385845832.db2.gz RDTHQRDFXSKSMB-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cc(C[NH2+]Cc2cscc2C)cs1 ZINC000336719158 178029583 /nfs/dbraw/zinc/02/95/83/178029583.db2.gz YWMWCYCECZOPJN-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000336719668 387579693 /nfs/dbraw/zinc/57/96/93/387579693.db2.gz VXSNPXRWPCTRRS-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000336719669 387579656 /nfs/dbraw/zinc/57/96/56/387579656.db2.gz VXSNPXRWPCTRRS-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)s1 ZINC000336719928 385864914 /nfs/dbraw/zinc/86/49/14/385864914.db2.gz YLSJILDZIQZSHO-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)s1 ZINC000336719934 385866974 /nfs/dbraw/zinc/86/69/74/385866974.db2.gz YLSJILDZIQZSHO-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000336721356 175584447 /nfs/dbraw/zinc/58/44/47/175584447.db2.gz ZNEPOXIGEAYSQK-GHMZBOCLSA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000336721357 175584765 /nfs/dbraw/zinc/58/47/65/175584765.db2.gz ZNEPOXIGEAYSQK-MNOVXSKESA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]CC[C@H](C)F ZINC000336721358 385908647 /nfs/dbraw/zinc/90/86/47/385908647.db2.gz ZNEPOXIGEAYSQK-QWRGUYRKSA-N 1 0 241.375 3.807 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000336721359 385908971 /nfs/dbraw/zinc/90/89/71/385908971.db2.gz ZNEPOXIGEAYSQK-WDEREUQCSA-N 1 0 241.375 3.807 20 0 BHADRO C[C@H]([NH2+]C1C(C)(C)C1(C)C)C1CCSCC1 ZINC000336721876 385996449 /nfs/dbraw/zinc/99/64/49/385996449.db2.gz ANJJDBRYJPSASX-JTQLQIEISA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]([NH2+]C1C(C)(C)C1(C)C)C1CCSCC1 ZINC000336721879 386000764 /nfs/dbraw/zinc/00/07/64/386000764.db2.gz ANJJDBRYJPSASX-SNVBAGLBSA-N 1 0 241.444 3.542 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CCC2CC2)cs1 ZINC000336722086 180037432 /nfs/dbraw/zinc/03/74/32/180037432.db2.gz AOYQTFLBTUZRKT-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CCC2CC2)cs1 ZINC000336722100 180051896 /nfs/dbraw/zinc/05/18/96/180051896.db2.gz AOYQTFLBTUZRKT-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cs1 ZINC000336722106 180036720 /nfs/dbraw/zinc/03/67/20/180036720.db2.gz AOYQTFLBTUZRKT-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CCC2CC2)cs1 ZINC000336722107 180052084 /nfs/dbraw/zinc/05/20/84/180052084.db2.gz AOYQTFLBTUZRKT-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO CCSCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000336722407 386159970 /nfs/dbraw/zinc/15/99/70/386159970.db2.gz YDZZYWKRUKFLLX-UHFFFAOYSA-N 1 0 249.379 3.584 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1cccs1 ZINC000336722796 386158704 /nfs/dbraw/zinc/15/87/04/386158704.db2.gz AWWDADHOVJBKAN-GHMZBOCLSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1cccs1 ZINC000336722801 386160360 /nfs/dbraw/zinc/16/03/60/386160360.db2.gz AWWDADHOVJBKAN-MNOVXSKESA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1cccs1 ZINC000336722803 386160065 /nfs/dbraw/zinc/16/00/65/386160065.db2.gz AWWDADHOVJBKAN-QWRGUYRKSA-N 1 0 235.352 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1cccs1 ZINC000336722804 175776611 /nfs/dbraw/zinc/77/66/11/175776611.db2.gz AWWDADHOVJBKAN-WDEREUQCSA-N 1 0 235.352 3.623 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCc2ccco2)cs1 ZINC000336722862 178037350 /nfs/dbraw/zinc/03/73/50/178037350.db2.gz YIPSPPKRTAXLOF-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCc2ccco2)cs1 ZINC000336722865 178029880 /nfs/dbraw/zinc/02/98/80/178029880.db2.gz YIPSPPKRTAXLOF-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO CC[C@H](NCc1cscn1)c1cccc(C)c1 ZINC000336722926 386228929 /nfs/dbraw/zinc/22/89/29/386228929.db2.gz YMLSWVTYBGUNND-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO Clc1sccc1C[NH2+]CC1(C2CC2)CC1 ZINC000336723783 386644995 /nfs/dbraw/zinc/64/49/95/386644995.db2.gz FQSUAVZUXUDRHG-UHFFFAOYSA-N 1 0 241.787 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(OC)cc1 ZINC000336724147 385612401 /nfs/dbraw/zinc/61/24/01/385612401.db2.gz ZGWQNYFGTIYFRJ-BYCMXARLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(OC)cc1 ZINC000336724148 385613352 /nfs/dbraw/zinc/61/33/52/385613352.db2.gz ZGWQNYFGTIYFRJ-CQDKDKBSSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(OC)cc1 ZINC000336724151 385612739 /nfs/dbraw/zinc/61/27/39/385612739.db2.gz ZGWQNYFGTIYFRJ-TUKIKUTGSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(OC)cc1 ZINC000336724152 385612667 /nfs/dbraw/zinc/61/26/67/385612667.db2.gz ZGWQNYFGTIYFRJ-UGFHNGPFSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000336724232 176236859 /nfs/dbraw/zinc/23/68/59/176236859.db2.gz ZINOMLXAGQKXDS-BXKDBHETSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000336724239 177195263 /nfs/dbraw/zinc/19/52/63/177195263.db2.gz ZINOMLXAGQKXDS-CABZTGNLSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000336724240 177207267 /nfs/dbraw/zinc/20/72/67/177207267.db2.gz ZINOMLXAGQKXDS-JOYOIKCWSA-N 1 0 243.272 3.594 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000336724242 176216849 /nfs/dbraw/zinc/21/68/49/176216849.db2.gz ZINOMLXAGQKXDS-SKDRFNHKSA-N 1 0 243.272 3.594 20 0 BHADRO CC(C)SCC[N@H+](Cc1ccccc1)C1CC1 ZINC000336726382 167324317 /nfs/dbraw/zinc/32/43/17/167324317.db2.gz YSZWLSUKTQILEH-UHFFFAOYSA-N 1 0 249.423 3.793 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000336727712 385998746 /nfs/dbraw/zinc/99/87/46/385998746.db2.gz CDXJMRKPJZVUQG-GFCCVEGCSA-N 1 0 221.344 3.903 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000336727722 188256000 /nfs/dbraw/zinc/25/60/00/188256000.db2.gz CDXJMRKPJZVUQG-LBPRGKRZSA-N 1 0 221.344 3.903 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](CC)c1nccs1 ZINC000336727956 351546794 /nfs/dbraw/zinc/54/67/94/351546794.db2.gz HQDZQOWWHOMUQU-GZTOBOFZSA-N 1 0 224.373 3.540 20 0 BHADRO CC/C=C\CC[NH2+][C@H](CC)c1nccs1 ZINC000336727962 351546926 /nfs/dbraw/zinc/54/69/26/351546926.db2.gz HQDZQOWWHOMUQU-ISALQUGTSA-N 1 0 224.373 3.540 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000336728101 167889421 /nfs/dbraw/zinc/88/94/21/167889421.db2.gz CHBKRZXXQKICBE-GFCCVEGCSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CSc3ccccc32)C1 ZINC000336728102 386048469 /nfs/dbraw/zinc/04/84/69/386048469.db2.gz CHBKRZXXQKICBE-LBPRGKRZSA-N 1 0 233.380 3.612 20 0 BHADRO CC1(CC[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000336728422 168020009 /nfs/dbraw/zinc/02/00/09/168020009.db2.gz CNSQLHAHBDMEKC-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](F)CC)c1ccccc1 ZINC000336728504 487658613 /nfs/dbraw/zinc/65/86/13/487658613.db2.gz HFBCHIVKKGAAOB-KBPBESRZSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](F)CC)c1ccccc1 ZINC000336728509 386077032 /nfs/dbraw/zinc/07/70/32/386077032.db2.gz HFBCHIVKKGAAOB-KGLIPLIRSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](F)CC)c1ccccc1 ZINC000336728512 386077374 /nfs/dbraw/zinc/07/73/74/386077374.db2.gz HFBCHIVKKGAAOB-UONOGXRCSA-N 1 0 223.335 3.866 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](F)CC)c1ccccc1 ZINC000336728515 386077539 /nfs/dbraw/zinc/07/75/39/386077539.db2.gz HFBCHIVKKGAAOB-ZIAGYGMSSA-N 1 0 223.335 3.866 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC12CCCC2 ZINC000336728912 398008689 /nfs/dbraw/zinc/00/86/89/398008689.db2.gz CULUVJQDSQABLI-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC12CCCC2 ZINC000336728913 386088693 /nfs/dbraw/zinc/08/86/93/386088693.db2.gz CULUVJQDSQABLI-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC12CCCC2 ZINC000336728914 386089335 /nfs/dbraw/zinc/08/93/35/386089335.db2.gz CULUVJQDSQABLI-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC12CCCC2 ZINC000336728915 386088742 /nfs/dbraw/zinc/08/87/42/386088742.db2.gz CULUVJQDSQABLI-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cnc2ccccc2c1 ZINC000336729039 387583211 /nfs/dbraw/zinc/58/32/11/387583211.db2.gz OAHIQIDYXRROJR-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)c2ccccc21 ZINC000336729387 176422308 /nfs/dbraw/zinc/42/23/08/176422308.db2.gz XIZKOURHKDVVST-JMSVASOKSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)c2ccccc21 ZINC000336729388 176376357 /nfs/dbraw/zinc/37/63/57/176376357.db2.gz XIZKOURHKDVVST-LALPHHSUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)c2ccccc21 ZINC000336729389 176375920 /nfs/dbraw/zinc/37/59/20/176375920.db2.gz XIZKOURHKDVVST-TYNCELHUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)c2ccccc21 ZINC000336729390 386110246 /nfs/dbraw/zinc/11/02/46/386110246.db2.gz XIZKOURHKDVVST-XUJVJEKNSA-N 1 0 247.407 3.720 20 0 BHADRO Cc1cccc(C[NH2+]CCC2(C)CC2)c1C ZINC000336729661 179090116 /nfs/dbraw/zinc/09/01/16/179090116.db2.gz HXNQZMWYMVALOJ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000336730592 168444324 /nfs/dbraw/zinc/44/43/24/168444324.db2.gz IKKOHDMZZQKEKJ-MOKVOYLWSA-N 1 0 241.444 3.831 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000336730594 386284999 /nfs/dbraw/zinc/28/49/99/386284999.db2.gz IKKOHDMZZQKEKJ-ROKHWSDSSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1nc(C)cs1 ZINC000336731800 386325172 /nfs/dbraw/zinc/32/51/72/386325172.db2.gz JAURQAKHNKGZJB-LLVKDONJSA-N 1 0 238.400 3.681 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1nc(C)cs1 ZINC000336731801 386323783 /nfs/dbraw/zinc/32/37/83/386323783.db2.gz JAURQAKHNKGZJB-NSHDSACASA-N 1 0 238.400 3.681 20 0 BHADRO CC/C=C\CC[NH2+][C@](C)(CC)c1nccs1 ZINC000336732175 167859809 /nfs/dbraw/zinc/85/98/09/167859809.db2.gz JFOAAIKRGOIXFG-FMFIFOJESA-N 1 0 238.400 3.714 20 0 BHADRO CC/C=C\CC[NH2+][C@@](C)(CC)c1nccs1 ZINC000336732190 386373949 /nfs/dbraw/zinc/37/39/49/386373949.db2.gz JFOAAIKRGOIXFG-FWWRYZNZSA-N 1 0 238.400 3.714 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)o1 ZINC000336732424 386398161 /nfs/dbraw/zinc/39/81/61/386398161.db2.gz FTYYDDLQBTYUFB-AAEUAGOBSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)o1 ZINC000336732426 386397275 /nfs/dbraw/zinc/39/72/75/386397275.db2.gz FTYYDDLQBTYUFB-DGCLKSJQSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)o1 ZINC000336732430 386400787 /nfs/dbraw/zinc/40/07/87/386400787.db2.gz FTYYDDLQBTYUFB-WCQYABFASA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)o1 ZINC000336732432 386401478 /nfs/dbraw/zinc/40/14/78/386401478.db2.gz FTYYDDLQBTYUFB-YPMHNXCESA-N 1 0 219.328 3.571 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000336732718 167889351 /nfs/dbraw/zinc/88/93/51/167889351.db2.gz GAKUYSYPBWPYEW-GFCCVEGCSA-N 1 0 235.396 3.904 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000336732719 167889048 /nfs/dbraw/zinc/88/90/48/167889048.db2.gz GAKUYSYPBWPYEW-LBPRGKRZSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)c2ccccc21 ZINC000336732800 386408235 /nfs/dbraw/zinc/40/82/35/386408235.db2.gz ZVGYNHSTONOILP-JMSVASOKSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)c2ccccc21 ZINC000336732802 176379562 /nfs/dbraw/zinc/37/95/62/176379562.db2.gz ZVGYNHSTONOILP-LALPHHSUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)c2ccccc21 ZINC000336732804 176378609 /nfs/dbraw/zinc/37/86/09/176378609.db2.gz ZVGYNHSTONOILP-TYNCELHUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)c2ccccc21 ZINC000336732809 386425401 /nfs/dbraw/zinc/42/54/01/386425401.db2.gz ZVGYNHSTONOILP-XUJVJEKNSA-N 1 0 247.407 3.720 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1nccs1 ZINC000336733020 386439131 /nfs/dbraw/zinc/43/91/31/386439131.db2.gz JVWNHXROHJGLJD-AXFHLTTASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1nccs1 ZINC000336733021 386439684 /nfs/dbraw/zinc/43/96/84/386439684.db2.gz JVWNHXROHJGLJD-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1nccs1 ZINC000336733022 386440485 /nfs/dbraw/zinc/44/04/85/386440485.db2.gz JVWNHXROHJGLJD-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1nccs1 ZINC000336733023 386440298 /nfs/dbraw/zinc/44/02/98/386440298.db2.gz JVWNHXROHJGLJD-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO CSC1(C[NH2+]CCCCC(C)(C)C)CC1 ZINC000336733066 386434982 /nfs/dbraw/zinc/43/49/82/386434982.db2.gz MAKMSQICTBNFEV-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO FC1(CC[NH2+]Cc2cc(Cl)cs2)CCC1 ZINC000336733190 386447490 /nfs/dbraw/zinc/44/74/90/386447490.db2.gz MEODFOIULHSXNT-UHFFFAOYSA-N 1 0 247.766 3.773 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CCC1 ZINC000336733290 176838701 /nfs/dbraw/zinc/83/87/01/176838701.db2.gz GNVPPWOJNCWHCT-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CCC1 ZINC000336733291 386514430 /nfs/dbraw/zinc/51/44/30/386514430.db2.gz GNVPPWOJNCWHCT-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000336734663 385672620 /nfs/dbraw/zinc/67/26/20/385672620.db2.gz LADZYFONROCVEN-GCZXYKMCSA-N 1 0 235.396 3.904 20 0 BHADRO CCC1CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000336734664 385672106 /nfs/dbraw/zinc/67/21/06/385672106.db2.gz LADZYFONROCVEN-XIVSLSHWSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1nccs1 ZINC000336734726 385678760 /nfs/dbraw/zinc/67/87/60/385678760.db2.gz LCTIQDCZHNLRRR-LLVKDONJSA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@H]([NH2+]C1CC2(CCC2)C1)c1nccs1 ZINC000336734728 385678682 /nfs/dbraw/zinc/67/86/82/385678682.db2.gz LCTIQDCZHNLRRR-NSHDSACASA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1cc(F)ccc1F ZINC000336734895 385687445 /nfs/dbraw/zinc/68/74/45/385687445.db2.gz LEZFDNKKWCXZHW-CYBMUJFWSA-N 1 0 225.282 3.558 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1cc(F)ccc1F ZINC000336734898 385687413 /nfs/dbraw/zinc/68/74/13/385687413.db2.gz LEZFDNKKWCXZHW-ZDUSSCGKSA-N 1 0 225.282 3.558 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](CC)OC)c1ccsc1 ZINC000336735071 385692550 /nfs/dbraw/zinc/69/25/50/385692550.db2.gz LMSFKAAQPOCSKN-CHWSQXEVSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](CC)OC)c1ccsc1 ZINC000336735072 385692612 /nfs/dbraw/zinc/69/26/12/385692612.db2.gz LMSFKAAQPOCSKN-OLZOCXBDSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](CC)OC)c1ccsc1 ZINC000336735073 385692677 /nfs/dbraw/zinc/69/26/77/385692677.db2.gz LMSFKAAQPOCSKN-QWHCGFSZSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](CC)OC)c1ccsc1 ZINC000336735074 385691821 /nfs/dbraw/zinc/69/18/21/385691821.db2.gz LMSFKAAQPOCSKN-STQMWFEESA-N 1 0 241.400 3.604 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CCC2(CC2)CC1 ZINC000336735937 188344566 /nfs/dbraw/zinc/34/45/66/188344566.db2.gz IJPIKBSNQUDBSN-GFCCVEGCSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CCC2(CC2)CC1 ZINC000336735938 385722948 /nfs/dbraw/zinc/72/29/48/385722948.db2.gz IJPIKBSNQUDBSN-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000336736104 176118849 /nfs/dbraw/zinc/11/88/49/176118849.db2.gz IOGDFTAOWMSJJA-CHWSQXEVSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000336736111 176138400 /nfs/dbraw/zinc/13/84/00/176138400.db2.gz IOGDFTAOWMSJJA-OLZOCXBDSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000336736112 177119600 /nfs/dbraw/zinc/11/96/00/177119600.db2.gz IOGDFTAOWMSJJA-QWHCGFSZSA-N 1 0 227.367 3.685 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000336736113 177133291 /nfs/dbraw/zinc/13/32/91/177133291.db2.gz IOGDFTAOWMSJJA-STQMWFEESA-N 1 0 227.367 3.685 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C)c(C)s1)C(C)(C)C ZINC000336736170 351925809 /nfs/dbraw/zinc/92/58/09/351925809.db2.gz MJXULIGFCLHGPF-LLVKDONJSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C)c(C)s1)C(C)(C)C ZINC000336736172 385741256 /nfs/dbraw/zinc/74/12/56/385741256.db2.gz MJXULIGFCLHGPF-NSHDSACASA-N 1 0 240.416 3.674 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000336736806 398068396 /nfs/dbraw/zinc/06/83/96/398068396.db2.gz JCCXHQBTMCZBHC-GHMZBOCLSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000336736807 398068217 /nfs/dbraw/zinc/06/82/17/398068217.db2.gz JCCXHQBTMCZBHC-MNOVXSKESA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000336736808 398068621 /nfs/dbraw/zinc/06/86/21/398068621.db2.gz JCCXHQBTMCZBHC-QWRGUYRKSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000336736809 187483254 /nfs/dbraw/zinc/48/32/54/187483254.db2.gz JCCXHQBTMCZBHC-WDEREUQCSA-N 1 0 238.400 3.545 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCC1)c1ccsc1 ZINC000336736992 169399269 /nfs/dbraw/zinc/39/92/69/169399269.db2.gz PRHRHMDQBUTGPS-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[C@H]([NH2+]CC1CCC1)c1ccsc1 ZINC000336736994 169510133 /nfs/dbraw/zinc/51/01/33/169510133.db2.gz PRHRHMDQBUTGPS-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000336737336 636004298 /nfs/dbraw/zinc/00/42/98/636004298.db2.gz ZQSDBWMGBHFKEY-AWEZNQCLSA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000336737338 635255444 /nfs/dbraw/zinc/25/54/44/635255444.db2.gz ZQSDBWMGBHFKEY-CQSZACIVSA-N 1 0 247.382 3.576 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000336737429 351935244 /nfs/dbraw/zinc/93/52/44/351935244.db2.gz NMEPDAVCIOGPFR-GHMZBOCLSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000336737430 351935361 /nfs/dbraw/zinc/93/53/61/351935361.db2.gz NMEPDAVCIOGPFR-MNOVXSKESA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000336737431 351935132 /nfs/dbraw/zinc/93/51/32/351935132.db2.gz NMEPDAVCIOGPFR-QWRGUYRKSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000336737636 168991822 /nfs/dbraw/zinc/99/18/22/168991822.db2.gz NMEPDAVCIOGPFR-WDEREUQCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000336737651 171342808 /nfs/dbraw/zinc/34/28/08/171342808.db2.gz NOQDYVGTRJGASU-JTQLQIEISA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000336737652 385810131 /nfs/dbraw/zinc/81/01/31/385810131.db2.gz NOQDYVGTRJGASU-SNVBAGLBSA-N 1 0 221.319 3.591 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000336737748 385818909 /nfs/dbraw/zinc/81/89/09/385818909.db2.gz NVQKHKDLMQSCEZ-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000336737749 385819010 /nfs/dbraw/zinc/81/90/10/385819010.db2.gz NVQKHKDLMQSCEZ-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO CC1(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000336738128 168021168 /nfs/dbraw/zinc/02/11/68/168021168.db2.gz KAYSEGRDHPNGKR-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCCC1(C[NH2+]CC2(SC)CCC2)CCC1 ZINC000336738348 385836674 /nfs/dbraw/zinc/83/66/74/385836674.db2.gz OCHAWZGOSOCFDS-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CCC1(C)CCC([NH2+]CC2(SC)CC2)CC1 ZINC000336738359 490301390 /nfs/dbraw/zinc/30/13/90/490301390.db2.gz ODDMZMPZBAMCFM-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC2(C)C)oc1C ZINC000336738902 178249773 /nfs/dbraw/zinc/24/97/73/178249773.db2.gz KRQCLPXIUQDLDB-CMPLNLGQSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)oc1C ZINC000336738904 178248490 /nfs/dbraw/zinc/24/84/90/178248490.db2.gz KRQCLPXIUQDLDB-JQWIXIFHSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)oc1C ZINC000336738906 178225864 /nfs/dbraw/zinc/22/58/64/178225864.db2.gz KRQCLPXIUQDLDB-PWSUYJOCSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)oc1C ZINC000336738908 178227714 /nfs/dbraw/zinc/22/77/14/178227714.db2.gz KRQCLPXIUQDLDB-ZYHUDNBSSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCSC(C)C)oc1C ZINC000336738976 178225350 /nfs/dbraw/zinc/22/53/50/178225350.db2.gz KTMAKCTTWFNGKV-LLVKDONJSA-N 1 0 241.400 3.689 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCSC(C)C)oc1C ZINC000336738985 178248619 /nfs/dbraw/zinc/24/86/19/178248619.db2.gz KTMAKCTTWFNGKV-NSHDSACASA-N 1 0 241.400 3.689 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)o1 ZINC000336739255 386876404 /nfs/dbraw/zinc/87/64/04/386876404.db2.gz LCCXDVVGLFNWMA-LLVKDONJSA-N 1 0 225.307 3.521 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)o1 ZINC000336739259 386877306 /nfs/dbraw/zinc/87/73/06/386877306.db2.gz LCCXDVVGLFNWMA-NSHDSACASA-N 1 0 225.307 3.521 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)s1 ZINC000336739472 386881085 /nfs/dbraw/zinc/88/10/85/386881085.db2.gz PDQQJWZMEMOFFZ-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC2(C)C)oc1C ZINC000336739610 178258065 /nfs/dbraw/zinc/25/80/65/178258065.db2.gz LMAQBYNEHQHIAC-GWCFXTLKSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC2(C)C)oc1C ZINC000336739611 178252940 /nfs/dbraw/zinc/25/29/40/178252940.db2.gz LMAQBYNEHQHIAC-GXFFZTMASA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC2(C)C)oc1C ZINC000336739612 178233384 /nfs/dbraw/zinc/23/33/84/178233384.db2.gz LMAQBYNEHQHIAC-MFKMUULPSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)oc1C ZINC000336739613 178231571 /nfs/dbraw/zinc/23/15/71/178231571.db2.gz LMAQBYNEHQHIAC-ZWNOBZJWSA-N 1 0 221.344 3.736 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cs1 ZINC000336739694 386893890 /nfs/dbraw/zinc/89/38/90/386893890.db2.gz LPNNMJAYUJXNPC-DCAQKATOSA-N 1 0 238.400 3.573 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cs1 ZINC000336739697 386894582 /nfs/dbraw/zinc/89/45/82/386894582.db2.gz LPNNMJAYUJXNPC-GARJFASQSA-N 1 0 238.400 3.573 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cs1 ZINC000336739703 386896071 /nfs/dbraw/zinc/89/60/71/386896071.db2.gz LPNNMJAYUJXNPC-OUAUKWLOSA-N 1 0 238.400 3.573 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cs1 ZINC000336739704 386896720 /nfs/dbraw/zinc/89/67/20/386896720.db2.gz LPNNMJAYUJXNPC-VWYCJHECSA-N 1 0 238.400 3.573 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc(C)sc1C ZINC000336739720 168318145 /nfs/dbraw/zinc/31/81/45/168318145.db2.gz PJGTYHLDOMXXJY-UHFFFAOYSA-N 1 0 240.416 3.818 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336739811 385784363 /nfs/dbraw/zinc/78/43/63/385784363.db2.gz PMTARJOZOOSLND-BFHYXJOUSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336739812 385783526 /nfs/dbraw/zinc/78/35/26/385783526.db2.gz PMTARJOZOOSLND-MCIONIFRSA-N 1 0 235.396 3.725 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000336739898 385790111 /nfs/dbraw/zinc/79/01/11/385790111.db2.gz LTGUZOCSWZWQBE-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000336739899 385788434 /nfs/dbraw/zinc/78/84/34/385788434.db2.gz LTGUZOCSWZWQBE-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(Cl)cn1 ZINC000336739900 385788767 /nfs/dbraw/zinc/78/87/67/385788767.db2.gz LTGUZOCSWZWQBE-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000336739901 176909164 /nfs/dbraw/zinc/90/91/64/176909164.db2.gz LTGUZOCSWZWQBE-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ncc(C)s1 ZINC000336740063 168315620 /nfs/dbraw/zinc/31/56/20/168315620.db2.gz PREWIZRTAQNVJV-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO CCC(CC)[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000336740096 168389465 /nfs/dbraw/zinc/38/94/65/168389465.db2.gz PTNLWNMSSVDOLJ-UHFFFAOYSA-N 1 0 240.416 3.853 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1nc(C(C)C)cs1 ZINC000336740119 171058571 /nfs/dbraw/zinc/05/85/71/171058571.db2.gz PVQRSXMZJJRLRK-GHMZBOCLSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1nc(C(C)C)cs1 ZINC000336740120 171043523 /nfs/dbraw/zinc/04/35/23/171043523.db2.gz PVQRSXMZJJRLRK-MNOVXSKESA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1nc(C(C)C)cs1 ZINC000336740121 385793927 /nfs/dbraw/zinc/79/39/27/385793927.db2.gz PVQRSXMZJJRLRK-QWRGUYRKSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1nc(C(C)C)cs1 ZINC000336740122 385792141 /nfs/dbraw/zinc/79/21/41/385792141.db2.gz PVQRSXMZJJRLRK-WDEREUQCSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC1)CCC2 ZINC000336740128 385793571 /nfs/dbraw/zinc/79/35/71/385793571.db2.gz PWKYPJNEWCXWLO-HNNXBMFYSA-N 1 0 215.340 3.515 20 0 BHADRO Cc1sc(C[NH2+]C2CCCC2)nc1C(C)C ZINC000336740231 385800669 /nfs/dbraw/zinc/80/06/69/385800669.db2.gz MFTGJBBIGBGDKR-UHFFFAOYSA-N 1 0 238.400 3.607 20 0 BHADRO Clc1sccc1C[NH2+][C@H]1CC12CCCC2 ZINC000336740262 386479814 /nfs/dbraw/zinc/47/98/14/386479814.db2.gz UBSOTFGTYAMRBA-JTQLQIEISA-N 1 0 241.787 3.824 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000336740263 385789420 /nfs/dbraw/zinc/78/94/20/385789420.db2.gz UBSOTFGTYAMRBA-SNVBAGLBSA-N 1 0 241.787 3.824 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CC1(C)C ZINC000336740576 385808238 /nfs/dbraw/zinc/80/82/38/385808238.db2.gz MLKIRFAYYTXTOP-AAEUAGOBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CC1(C)C ZINC000336740577 385808192 /nfs/dbraw/zinc/80/81/92/385808192.db2.gz MLKIRFAYYTXTOP-DGCLKSJQSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CC1(C)C ZINC000336740578 398121845 /nfs/dbraw/zinc/12/18/45/398121845.db2.gz MLKIRFAYYTXTOP-WCQYABFASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CC1(C)C ZINC000336740579 398121800 /nfs/dbraw/zinc/12/18/00/398121800.db2.gz MLKIRFAYYTXTOP-YPMHNXCESA-N 1 0 221.388 3.591 20 0 BHADRO Cc1ccc(C[NH2+]CCC2(C)CC2)c(C)c1 ZINC000336740738 385811464 /nfs/dbraw/zinc/81/14/64/385811464.db2.gz QKIFDYKPTRIRGV-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CC1(CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000336740840 168020910 /nfs/dbraw/zinc/02/09/10/168020910.db2.gz MONCHFNRFIHLKJ-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000336740973 168020180 /nfs/dbraw/zinc/02/01/80/168020180.db2.gz MTYXPNJTMFZFPN-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1nc(C)cs1 ZINC000336741066 385847744 /nfs/dbraw/zinc/84/77/44/385847744.db2.gz QQFYXGYHTVYKAG-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1nc(C)cs1 ZINC000336741067 385847849 /nfs/dbraw/zinc/84/78/49/385847849.db2.gz QQFYXGYHTVYKAG-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cs1 ZINC000336741368 385862951 /nfs/dbraw/zinc/86/29/51/385862951.db2.gz NGPBJSXTZUXFMG-DCAQKATOSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cs1 ZINC000336741579 385870165 /nfs/dbraw/zinc/87/01/65/385870165.db2.gz NGPBJSXTZUXFMG-GARJFASQSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cs1 ZINC000336741580 385870376 /nfs/dbraw/zinc/87/03/76/385870376.db2.gz NGPBJSXTZUXFMG-OUAUKWLOSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cs1 ZINC000336741581 385870816 /nfs/dbraw/zinc/87/08/16/385870816.db2.gz NGPBJSXTZUXFMG-VWYCJHECSA-N 1 0 238.400 3.716 20 0 BHADRO CC1(CC[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000336741791 168020736 /nfs/dbraw/zinc/02/07/36/168020736.db2.gz NMMPRKORUBPQTR-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000336741973 385919666 /nfs/dbraw/zinc/91/96/66/385919666.db2.gz ROSFUUGIEZWSSG-JTQLQIEISA-N 1 0 240.416 3.853 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000336741974 169370948 /nfs/dbraw/zinc/37/09/48/169370948.db2.gz ROSFUUGIEZWSSG-SNVBAGLBSA-N 1 0 240.416 3.853 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CC2)ccc1Cl ZINC000336742102 178020096 /nfs/dbraw/zinc/02/00/96/178020096.db2.gz WINFROJEXPXNOW-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336742485 179551355 /nfs/dbraw/zinc/55/13/55/179551355.db2.gz OEKNCWOWZGXAMV-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336742486 386179268 /nfs/dbraw/zinc/17/92/68/386179268.db2.gz OEKNCWOWZGXAMV-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CC1)c1ccsc1 ZINC000336743023 169399895 /nfs/dbraw/zinc/39/98/95/169399895.db2.gz XMCMCKXVCNAPBN-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CC1)c1ccsc1 ZINC000336743024 386283405 /nfs/dbraw/zinc/28/34/05/386283405.db2.gz XMCMCKXVCNAPBN-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000336743248 386370140 /nfs/dbraw/zinc/37/01/40/386370140.db2.gz OVXHSRGIOFUOJM-FPMFFAJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000336743249 178896647 /nfs/dbraw/zinc/89/66/47/178896647.db2.gz OVXHSRGIOFUOJM-IACUBPJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000336743250 386374536 /nfs/dbraw/zinc/37/45/36/386374536.db2.gz OVXHSRGIOFUOJM-UBHSHLNASA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000336743251 386373018 /nfs/dbraw/zinc/37/30/18/386373018.db2.gz OVXHSRGIOFUOJM-YUTCNCBUSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000336743256 179197423 /nfs/dbraw/zinc/19/74/23/179197423.db2.gz OWGZLXQVQLPHGT-FPMFFAJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000336743257 179197412 /nfs/dbraw/zinc/19/74/12/179197412.db2.gz OWGZLXQVQLPHGT-IACUBPJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000336743258 179197963 /nfs/dbraw/zinc/19/79/63/179197963.db2.gz OWGZLXQVQLPHGT-UBHSHLNASA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000336743259 179197639 /nfs/dbraw/zinc/19/76/39/179197639.db2.gz OWGZLXQVQLPHGT-YUTCNCBUSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CCC2)C2CCC2)o1 ZINC000336743304 386367428 /nfs/dbraw/zinc/36/74/28/386367428.db2.gz TVWOSUSYMYIFIO-AWEZNQCLSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CCC2)C2CCC2)o1 ZINC000336743305 386367954 /nfs/dbraw/zinc/36/79/54/386367954.db2.gz TVWOSUSYMYIFIO-CQSZACIVSA-N 1 0 219.328 3.571 20 0 BHADRO CSc1ccc(C[NH2+]CC2(C)CCC2)s1 ZINC000336743561 175575280 /nfs/dbraw/zinc/57/52/80/175575280.db2.gz YHACSVPIUURCJJ-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(F)cc1 ZINC000336744117 386799004 /nfs/dbraw/zinc/79/90/04/386799004.db2.gz PVBNKAZZBATBET-LLVKDONJSA-N 1 0 221.319 3.667 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(F)cc1 ZINC000336744126 487830458 /nfs/dbraw/zinc/83/04/58/487830458.db2.gz PVBNKAZZBATBET-NSHDSACASA-N 1 0 221.319 3.667 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000336744219 386806450 /nfs/dbraw/zinc/80/64/50/386806450.db2.gz PWZLMZMCODCDSL-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000336744220 386805355 /nfs/dbraw/zinc/80/53/55/386805355.db2.gz PWZLMZMCODCDSL-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000336744221 180542778 /nfs/dbraw/zinc/54/27/78/180542778.db2.gz PWZLMZMCODCDSL-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000336744222 386805491 /nfs/dbraw/zinc/80/54/91/386805491.db2.gz PWZLMZMCODCDSL-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1cccs1 ZINC000336744462 386857600 /nfs/dbraw/zinc/85/76/00/386857600.db2.gz UZMODFBSDRQJSS-UHFFFAOYSA-N 1 0 235.352 3.674 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)c1nc(C)cs1 ZINC000336744471 170893275 /nfs/dbraw/zinc/89/32/75/170893275.db2.gz UZZXXEXHECAIAA-LLVKDONJSA-N 1 0 244.379 3.632 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)c1nc(C)cs1 ZINC000336744473 386857471 /nfs/dbraw/zinc/85/74/71/386857471.db2.gz UZZXXEXHECAIAA-NSHDSACASA-N 1 0 244.379 3.632 20 0 BHADRO FC1(CC[NH2+]Cc2sccc2Cl)CCC1 ZINC000336744740 386876580 /nfs/dbraw/zinc/87/65/80/386876580.db2.gz ZWJBNQMOOYHEPV-UHFFFAOYSA-N 1 0 247.766 3.773 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000336744750 386877795 /nfs/dbraw/zinc/87/77/95/386877795.db2.gz VEZABOGQPFHXDB-JTQLQIEISA-N 1 0 238.400 3.609 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000336744751 169369168 /nfs/dbraw/zinc/36/91/68/169369168.db2.gz VEZABOGQPFHXDB-SNVBAGLBSA-N 1 0 238.400 3.609 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)C1)c1ccsc1 ZINC000336744963 169510001 /nfs/dbraw/zinc/51/00/01/169510001.db2.gz ABLQRIRRHGKGQI-GDKBPFBDSA-N 1 0 223.385 3.977 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)C1)c1ccsc1 ZINC000336744966 169399930 /nfs/dbraw/zinc/39/99/30/169399930.db2.gz ABLQRIRRHGKGQI-KGPNIALWSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccs1 ZINC000336745179 176828266 /nfs/dbraw/zinc/82/82/66/176828266.db2.gz AZJRQGOLBKCYGO-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccs1 ZINC000336745180 386881565 /nfs/dbraw/zinc/88/15/65/386881565.db2.gz AZJRQGOLBKCYGO-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC2)C2CCCC2)o1 ZINC000336745246 386984192 /nfs/dbraw/zinc/98/41/92/386984192.db2.gz VMDGKUCTQBUZKH-AWEZNQCLSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC2)C2CCCC2)o1 ZINC000336745247 386985601 /nfs/dbraw/zinc/98/56/01/386985601.db2.gz VMDGKUCTQBUZKH-CQSZACIVSA-N 1 0 219.328 3.571 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000336745304 171032282 /nfs/dbraw/zinc/03/22/82/171032282.db2.gz VQJWUGKHHIMHFJ-BNOWGMLFSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000336745618 171050227 /nfs/dbraw/zinc/05/02/27/171050227.db2.gz VQJWUGKHHIMHFJ-IACUBPJLSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccoc1 ZINC000336745619 171032660 /nfs/dbraw/zinc/03/26/60/171032660.db2.gz VQJWUGKHHIMHFJ-MRVWCRGKSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000336745620 171050481 /nfs/dbraw/zinc/05/04/81/171050481.db2.gz VQJWUGKHHIMHFJ-YUTCNCBUSA-N 1 0 221.344 3.584 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1C ZINC000336745660 387005573 /nfs/dbraw/zinc/00/55/73/387005573.db2.gz VTZWFLHHQDXGTL-GXTWGEPZSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1C ZINC000336745661 387005668 /nfs/dbraw/zinc/00/56/68/387005668.db2.gz VTZWFLHHQDXGTL-JSGCOSHPSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1C ZINC000336745662 352733548 /nfs/dbraw/zinc/73/35/48/352733548.db2.gz VTZWFLHHQDXGTL-OCCSQVGLSA-N 1 0 221.344 3.646 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1C ZINC000336745663 170970764 /nfs/dbraw/zinc/97/07/64/170970764.db2.gz VTZWFLHHQDXGTL-TZMCWYRMSA-N 1 0 221.344 3.646 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000336745709 352732998 /nfs/dbraw/zinc/73/29/98/352732998.db2.gz VXTGEKVPTOTOCR-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000336745710 352733028 /nfs/dbraw/zinc/73/30/28/352733028.db2.gz VXTGEKVPTOTOCR-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000336745711 352733006 /nfs/dbraw/zinc/73/30/06/352733006.db2.gz VXTGEKVPTOTOCR-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000336745712 352733051 /nfs/dbraw/zinc/73/30/51/352733051.db2.gz VXTGEKVPTOTOCR-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000336746473 398189239 /nfs/dbraw/zinc/18/92/39/398189239.db2.gz WKKAHWYZNJIVSO-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC12CCCC2 ZINC000336746474 398189045 /nfs/dbraw/zinc/18/90/45/398189045.db2.gz WKKAHWYZNJIVSO-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)s1 ZINC000336746827 178899844 /nfs/dbraw/zinc/89/98/44/178899844.db2.gz BZWMBWUMBDPJAX-AXFHLTTASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)s1 ZINC000336746835 178899274 /nfs/dbraw/zinc/89/92/74/178899274.db2.gz BZWMBWUMBDPJAX-DCAQKATOSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)s1 ZINC000336746838 385962596 /nfs/dbraw/zinc/96/25/96/385962596.db2.gz BZWMBWUMBDPJAX-GARJFASQSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)s1 ZINC000336746840 385963138 /nfs/dbraw/zinc/96/31/38/385963138.db2.gz BZWMBWUMBDPJAX-HBNTYKKESA-N 1 0 227.348 3.598 20 0 BHADRO CC(C)c1csc(C[NH2+]C2CC(C)(C)C2)n1 ZINC000336747018 167653448 /nfs/dbraw/zinc/65/34/48/167653448.db2.gz RRGGRBRZYAZBKS-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(C)CC2)oc1C ZINC000336747059 178223809 /nfs/dbraw/zinc/22/38/09/178223809.db2.gz RTEWBLXIXBSDIC-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(C)CC2)oc1C ZINC000336747060 178246561 /nfs/dbraw/zinc/24/65/61/178246561.db2.gz RTEWBLXIXBSDIC-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336747208 537836708 /nfs/dbraw/zinc/83/67/08/537836708.db2.gz XBXXHUBWWJDPTQ-NXEZZACHSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336747210 537835478 /nfs/dbraw/zinc/83/54/78/537835478.db2.gz XBXXHUBWWJDPTQ-UWVGGRQHSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336747214 537835358 /nfs/dbraw/zinc/83/53/58/537835358.db2.gz XBXXHUBWWJDPTQ-VHSXEESVSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336747217 537836503 /nfs/dbraw/zinc/83/65/03/537836503.db2.gz XBXXHUBWWJDPTQ-ZJUUUORDSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H]2CC[C@H]2CC)cs1 ZINC000336747255 172007662 /nfs/dbraw/zinc/00/76/62/172007662.db2.gz XDLLYJRZGSBBNK-AXFHLTTASA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H]2CC[C@@H]2CC)cs1 ZINC000336747256 172007527 /nfs/dbraw/zinc/00/75/27/172007527.db2.gz XDLLYJRZGSBBNK-DCAQKATOSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]2CC)cs1 ZINC000336747257 172006935 /nfs/dbraw/zinc/00/69/35/172006935.db2.gz XDLLYJRZGSBBNK-GARJFASQSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]2CC)cs1 ZINC000336747258 172007759 /nfs/dbraw/zinc/00/77/59/172007759.db2.gz XDLLYJRZGSBBNK-HBNTYKKESA-N 1 0 238.400 3.545 20 0 BHADRO c1csc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000336747265 183519461 /nfs/dbraw/zinc/51/94/61/183519461.db2.gz CFVFYOVIYSAQCI-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000336747392 175887627 /nfs/dbraw/zinc/88/76/27/175887627.db2.gz RZDCTWSONIGTGV-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000336747393 188346342 /nfs/dbraw/zinc/34/63/42/188346342.db2.gz RZDCTWSONIGTGV-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000336747394 385972508 /nfs/dbraw/zinc/97/25/08/385972508.db2.gz RZDCTWSONIGTGV-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000336747395 385972247 /nfs/dbraw/zinc/97/22/47/385972247.db2.gz RZDCTWSONIGTGV-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000336747423 168020590 /nfs/dbraw/zinc/02/05/90/168020590.db2.gz SBWHERITVIFXGY-UHFFFAOYSA-N 1 0 241.737 3.759 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)s1 ZINC000336747565 385978048 /nfs/dbraw/zinc/97/80/48/385978048.db2.gz XHCYWOYQNIEUPE-KBPBESRZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)s1 ZINC000336747569 178635610 /nfs/dbraw/zinc/63/56/10/178635610.db2.gz XHCYWOYQNIEUPE-KGLIPLIRSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)s1 ZINC000336747573 385978434 /nfs/dbraw/zinc/97/84/34/385978434.db2.gz XHCYWOYQNIEUPE-UONOGXRCSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)s1 ZINC000336747576 385978603 /nfs/dbraw/zinc/97/86/03/385978603.db2.gz XHCYWOYQNIEUPE-ZIAGYGMSSA-N 1 0 235.396 3.725 20 0 BHADRO CC(C)c1cnc(C[NH2+]CCC2(C)CC2)s1 ZINC000336747819 398196529 /nfs/dbraw/zinc/19/65/29/398196529.db2.gz SGCJDYNYMISLKU-UHFFFAOYSA-N 1 0 238.400 3.546 20 0 BHADRO Cc1ccnc(NCC2(C(F)F)CC2)c1Cl ZINC000336748112 398197364 /nfs/dbraw/zinc/19/73/64/398197364.db2.gz XUGVDCGEBYQDMH-UHFFFAOYSA-N 1 0 246.688 3.501 20 0 BHADRO CC[C@@H](Nc1cc(C2CC2)ccn1)C(C)C ZINC000336748118 352938289 /nfs/dbraw/zinc/93/82/89/352938289.db2.gz XUPKDLAOYVGNTM-CYBMUJFWSA-N 1 0 218.344 3.806 20 0 BHADRO CCC1(C)CCC([NH2+]CCCCF)CC1 ZINC000336748467 398198531 /nfs/dbraw/zinc/19/85/31/398198531.db2.gz CUKHUENERXLBEX-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO c1cc(C[NH2+]C2CCC3(CC3)CC2)cs1 ZINC000336749145 183348680 /nfs/dbraw/zinc/34/86/80/183348680.db2.gz DZBVSRHLWHPSOR-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)CCC2CC2)CC1 ZINC000336749641 385996529 /nfs/dbraw/zinc/99/65/29/385996529.db2.gz FCNHREWCWVWPLX-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000336749642 384684298 /nfs/dbraw/zinc/68/42/98/384684298.db2.gz FCNHREWCWVWPLX-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000336749763 385999013 /nfs/dbraw/zinc/99/90/13/385999013.db2.gz YYLLPEVOOKPPEB-SREVYHEPSA-N 1 0 238.400 3.633 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)s1 ZINC000336750082 386000963 /nfs/dbraw/zinc/00/09/63/386000963.db2.gz UPFHMWKYKQQOCM-DCAQKATOSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)s1 ZINC000336750083 386001294 /nfs/dbraw/zinc/00/12/94/386001294.db2.gz UPFHMWKYKQQOCM-GARJFASQSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)s1 ZINC000336750085 386000678 /nfs/dbraw/zinc/00/06/78/386000678.db2.gz UPFHMWKYKQQOCM-OUAUKWLOSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)s1 ZINC000336750087 386001037 /nfs/dbraw/zinc/00/10/37/386001037.db2.gz UPFHMWKYKQQOCM-VWYCJHECSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000336750938 180542764 /nfs/dbraw/zinc/54/27/64/180542764.db2.gz VCPKYQYRGWWSTD-AAEUAGOBSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336750939 398203224 /nfs/dbraw/zinc/20/32/24/398203224.db2.gz VCPKYQYRGWWSTD-DGCLKSJQSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000336750943 180542763 /nfs/dbraw/zinc/54/27/63/180542763.db2.gz VCPKYQYRGWWSTD-WCQYABFASA-N 1 0 221.344 3.504 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000336750947 180542303 /nfs/dbraw/zinc/54/23/03/180542303.db2.gz VCPKYQYRGWWSTD-YPMHNXCESA-N 1 0 221.344 3.504 20 0 BHADRO CCC(C)(C)CC[NH2+]C(C)(C)c1nccs1 ZINC000336751212 168275743 /nfs/dbraw/zinc/27/57/43/168275743.db2.gz CCALNVQZUXOWRU-UHFFFAOYSA-N 1 0 240.416 3.794 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CC1)c1ccoc1 ZINC000336751503 384731462 /nfs/dbraw/zinc/73/14/62/384731462.db2.gz GKFQLQLJMCIWQR-CYBMUJFWSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CC1)c1ccoc1 ZINC000336751504 353060547 /nfs/dbraw/zinc/06/05/47/353060547.db2.gz GKFQLQLJMCIWQR-ZDUSSCGKSA-N 1 0 207.317 3.509 20 0 BHADRO Cc1occc1C[NH2+]CC1CCC(C)CC1 ZINC000336751685 386011569 /nfs/dbraw/zinc/01/15/69/386011569.db2.gz CKNOFYHAXNPQIS-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccsc1 ZINC000336752230 386015680 /nfs/dbraw/zinc/01/56/80/386015680.db2.gz VQTRTEBCAIJUMN-MRVPVSSYSA-N 1 0 249.301 3.741 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccsc1 ZINC000336752231 386015641 /nfs/dbraw/zinc/01/56/41/386015641.db2.gz VQTRTEBCAIJUMN-QMMMGPOBSA-N 1 0 249.301 3.741 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000336752528 411514362 /nfs/dbraw/zinc/51/43/62/411514362.db2.gz VUAVYNMNVUFEHQ-LLVKDONJSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000336752535 384768743 /nfs/dbraw/zinc/76/87/43/384768743.db2.gz VUAVYNMNVUFEHQ-NSHDSACASA-N 1 0 219.328 3.571 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1C(C)(C)C1(C)C ZINC000336753066 176926511 /nfs/dbraw/zinc/92/65/11/176926511.db2.gz WEXPGQMUBKTQLR-AXFHLTTASA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1C(C)(C)C1(C)C ZINC000336753068 398205998 /nfs/dbraw/zinc/20/59/98/398205998.db2.gz WEXPGQMUBKTQLR-DCAQKATOSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1C(C)(C)C1(C)C ZINC000336753070 398205804 /nfs/dbraw/zinc/20/58/04/398205804.db2.gz WEXPGQMUBKTQLR-GARJFASQSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1C(C)(C)C1(C)C ZINC000336753071 176901932 /nfs/dbraw/zinc/90/19/32/176901932.db2.gz WEXPGQMUBKTQLR-HBNTYKKESA-N 1 0 227.367 3.537 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)CCC1CC1 ZINC000336753287 386024197 /nfs/dbraw/zinc/02/41/97/386024197.db2.gz HNCLCKNATUTJAL-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)CCC1CC1 ZINC000336753288 386024238 /nfs/dbraw/zinc/02/42/38/386024238.db2.gz HNCLCKNATUTJAL-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)s1 ZINC000336753324 386022650 /nfs/dbraw/zinc/02/26/50/386022650.db2.gz HOAUFRNRZKPONY-CMPLNLGQSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)s1 ZINC000336753326 178621226 /nfs/dbraw/zinc/62/12/26/178621226.db2.gz HOAUFRNRZKPONY-JQWIXIFHSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)s1 ZINC000336753328 386024182 /nfs/dbraw/zinc/02/41/82/386024182.db2.gz HOAUFRNRZKPONY-PWSUYJOCSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)s1 ZINC000336753330 386023492 /nfs/dbraw/zinc/02/34/92/386023492.db2.gz HOAUFRNRZKPONY-ZYHUDNBSSA-N 1 0 223.385 3.581 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1cccs1 ZINC000336754279 176839817 /nfs/dbraw/zinc/83/98/17/176839817.db2.gz IDYJJPUFKRHBHM-JTQLQIEISA-N 1 0 227.348 3.681 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1cccs1 ZINC000336754282 386439688 /nfs/dbraw/zinc/43/96/88/386439688.db2.gz IDYJJPUFKRHBHM-SNVBAGLBSA-N 1 0 227.348 3.681 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@@H]2CCC2(C)C)s1 ZINC000336754286 188000232 /nfs/dbraw/zinc/00/02/32/188000232.db2.gz WWSIDXZDVGKLLL-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@H]2CCC2(C)C)s1 ZINC000336754295 187311420 /nfs/dbraw/zinc/31/14/20/187311420.db2.gz WWSIDXZDVGKLLL-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC2(C)C)cs1 ZINC000336754727 386524943 /nfs/dbraw/zinc/52/49/43/386524943.db2.gz XDJGHNWXRXIZOH-GXSJLCMTSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CC2(C)C)cs1 ZINC000336754728 386525884 /nfs/dbraw/zinc/52/58/84/386525884.db2.gz XDJGHNWXRXIZOH-KOLCDFICSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cs1 ZINC000336754729 386526388 /nfs/dbraw/zinc/52/63/88/386526388.db2.gz XDJGHNWXRXIZOH-MWLCHTKSSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+][C@H]2CC2(C)C)cs1 ZINC000336754730 386526437 /nfs/dbraw/zinc/52/64/37/386526437.db2.gz XDJGHNWXRXIZOH-ONGXEEELSA-N 1 0 238.400 3.716 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCC(C)C ZINC000336755519 180542832 /nfs/dbraw/zinc/54/28/32/180542832.db2.gz IYRRHZRCCYPBFR-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCC(C)C ZINC000336755522 386532086 /nfs/dbraw/zinc/53/20/86/386532086.db2.gz IYRRHZRCCYPBFR-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000336756478 179555396 /nfs/dbraw/zinc/55/53/96/179555396.db2.gz JLHGDGVISSUNIH-AXFHLTTASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000336756481 384851686 /nfs/dbraw/zinc/85/16/86/384851686.db2.gz JLHGDGVISSUNIH-DCAQKATOSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000336756485 386569294 /nfs/dbraw/zinc/56/92/94/386569294.db2.gz JLHGDGVISSUNIH-GARJFASQSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000336756488 386568192 /nfs/dbraw/zinc/56/81/92/386568192.db2.gz JLHGDGVISSUNIH-HBNTYKKESA-N 1 0 227.348 3.598 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CCC1(C)CC1 ZINC000336756530 386555838 /nfs/dbraw/zinc/55/58/38/386555838.db2.gz YOQQBAKIYCUTKA-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CCC1(C)CC1 ZINC000336756540 386568183 /nfs/dbraw/zinc/56/81/83/386568183.db2.gz YOQQBAKIYCUTKA-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(CC[NH2+]Cc2ccccc2Cl)CC1 ZINC000336757261 168020898 /nfs/dbraw/zinc/02/08/98/168020898.db2.gz JYVYLUHCIZIBIH-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CCC(F)(F)CC1 ZINC000336757913 386612814 /nfs/dbraw/zinc/61/28/14/386612814.db2.gz ZGRHHVOHCWOWPH-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CCC(F)(F)CC1 ZINC000336757914 188348073 /nfs/dbraw/zinc/34/80/73/188348073.db2.gz ZGRHHVOHCWOWPH-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000336759053 168022858 /nfs/dbraw/zinc/02/28/58/168022858.db2.gz ZWHINOQMRNBTSB-CHWSQXEVSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000336759054 168021701 /nfs/dbraw/zinc/02/17/01/168021701.db2.gz ZWHINOQMRNBTSB-OLZOCXBDSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000336759055 168021381 /nfs/dbraw/zinc/02/13/81/168021381.db2.gz ZWHINOQMRNBTSB-QWHCGFSZSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000336759057 168022202 /nfs/dbraw/zinc/02/22/02/168022202.db2.gz ZWHINOQMRNBTSB-STQMWFEESA-N 1 0 227.367 3.685 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCC1(F)CCC1 ZINC000336759114 188001012 /nfs/dbraw/zinc/00/10/12/188001012.db2.gz ZYCBMDXQKMGPLQ-SECBINFHSA-N 1 0 241.272 3.589 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCC1(F)CCC1 ZINC000336759125 386650295 /nfs/dbraw/zinc/65/02/95/386650295.db2.gz ZYCBMDXQKMGPLQ-VIFPVBQESA-N 1 0 241.272 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CC1(C)C ZINC000336759198 386651759 /nfs/dbraw/zinc/65/17/59/386651759.db2.gz ZZYNANGRZPSLQD-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CC1(C)C ZINC000336759199 386653090 /nfs/dbraw/zinc/65/30/90/386653090.db2.gz ZZYNANGRZPSLQD-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CC1(C)C ZINC000336759200 386653309 /nfs/dbraw/zinc/65/33/09/386653309.db2.gz ZZYNANGRZPSLQD-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CC1(C)C ZINC000336759201 176829025 /nfs/dbraw/zinc/82/90/25/176829025.db2.gz ZZYNANGRZPSLQD-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CCC[NH2+]CC1(C2CC2)CCC1 ZINC000336759306 166810834 /nfs/dbraw/zinc/81/08/34/166810834.db2.gz LCXRFLWXVLJHMC-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO CC(C)CSCC[NH2+][C@H](C)CCC1CC1 ZINC000336760134 386699909 /nfs/dbraw/zinc/69/99/09/386699909.db2.gz LZCCSIYUJGVDGH-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCC[NH2+][C@@H](C)CCC1CC1 ZINC000336760135 187311718 /nfs/dbraw/zinc/31/17/18/187311718.db2.gz LZCCSIYUJGVDGH-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000336760268 386706959 /nfs/dbraw/zinc/70/69/59/386706959.db2.gz LRFYADZXOHIOOC-GXSJLCMTSA-N 1 0 229.364 3.764 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000336760272 171474994 /nfs/dbraw/zinc/47/49/94/171474994.db2.gz LRFYADZXOHIOOC-KOLCDFICSA-N 1 0 229.364 3.764 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000336760273 386709555 /nfs/dbraw/zinc/70/95/55/386709555.db2.gz LRFYADZXOHIOOC-MWLCHTKSSA-N 1 0 229.364 3.764 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000336760274 386710547 /nfs/dbraw/zinc/71/05/47/386710547.db2.gz LRFYADZXOHIOOC-ONGXEEELSA-N 1 0 229.364 3.764 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CCCC(C)C)cs1 ZINC000336760800 172002265 /nfs/dbraw/zinc/00/22/65/172002265.db2.gz JXHFAUOJTWLIFC-LLVKDONJSA-N 1 0 240.416 3.792 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CCCC(C)C)cs1 ZINC000336760805 172005447 /nfs/dbraw/zinc/00/54/47/172005447.db2.gz JXHFAUOJTWLIFC-NSHDSACASA-N 1 0 240.416 3.792 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336761759 170628787 /nfs/dbraw/zinc/62/87/87/170628787.db2.gz KTIMLPGWYNZHNN-CHWSQXEVSA-N 1 0 247.423 3.638 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336761760 386801635 /nfs/dbraw/zinc/80/16/35/386801635.db2.gz KTIMLPGWYNZHNN-OLZOCXBDSA-N 1 0 247.423 3.638 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336761761 170628872 /nfs/dbraw/zinc/62/88/72/170628872.db2.gz KTIMLPGWYNZHNN-QWHCGFSZSA-N 1 0 247.423 3.638 20 0 BHADRO CCSCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336761762 386804318 /nfs/dbraw/zinc/80/43/18/386804318.db2.gz KTIMLPGWYNZHNN-STQMWFEESA-N 1 0 247.423 3.638 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccsc1)C(F)(F)F ZINC000336762751 188172376 /nfs/dbraw/zinc/17/23/76/188172376.db2.gz OMWUKACWTBVEFU-HTQZYQBOSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccsc1 ZINC000336762752 385143938 /nfs/dbraw/zinc/14/39/38/385143938.db2.gz OMWUKACWTBVEFU-JGVFFNPUSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccsc1)C(F)(F)F ZINC000336762753 386940363 /nfs/dbraw/zinc/94/03/63/386940363.db2.gz OMWUKACWTBVEFU-SFYZADRCSA-N 1 0 237.290 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)C(F)(F)F ZINC000336762754 386940824 /nfs/dbraw/zinc/94/08/24/386940824.db2.gz OMWUKACWTBVEFU-YUMQZZPRSA-N 1 0 237.290 3.597 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cs1 ZINC000336764248 172006849 /nfs/dbraw/zinc/00/68/49/172006849.db2.gz NCWKRWNWGAXZLZ-GXSJLCMTSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cs1 ZINC000336764249 172002690 /nfs/dbraw/zinc/00/26/90/172002690.db2.gz NCWKRWNWGAXZLZ-KOLCDFICSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cs1 ZINC000336764250 172002473 /nfs/dbraw/zinc/00/24/73/172002473.db2.gz NCWKRWNWGAXZLZ-MWLCHTKSSA-N 1 0 238.400 3.545 20 0 BHADRO CCc1nc([C@H](C)[NH2+][C@H]2CCC2(C)C)cs1 ZINC000336764251 172007567 /nfs/dbraw/zinc/00/75/67/172007567.db2.gz NCWKRWNWGAXZLZ-ONGXEEELSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000336764711 171298239 /nfs/dbraw/zinc/29/82/39/171298239.db2.gz QDQIBNXEHILKPB-AVGNSLFASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000336764712 171298655 /nfs/dbraw/zinc/29/86/55/171298655.db2.gz QDQIBNXEHILKPB-RWMBFGLXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000336764713 171295911 /nfs/dbraw/zinc/29/59/11/171295911.db2.gz QDQIBNXEHILKPB-XQQFMLRXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000336764714 171295631 /nfs/dbraw/zinc/29/56/31/171295631.db2.gz QDQIBNXEHILKPB-YNEHKIRRSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)c(C)s1 ZINC000336765166 178223772 /nfs/dbraw/zinc/22/37/72/178223772.db2.gz QSPOWWSSDHJMGQ-PSASIEDQSA-N 1 0 229.364 3.764 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H](C)F)c(C)s1 ZINC000336765168 178248751 /nfs/dbraw/zinc/24/87/51/178248751.db2.gz QSPOWWSSDHJMGQ-SCZZXKLOSA-N 1 0 229.364 3.764 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H](C)F)c(C)s1 ZINC000336765169 178223992 /nfs/dbraw/zinc/22/39/92/178223992.db2.gz QSPOWWSSDHJMGQ-WCBMZHEXSA-N 1 0 229.364 3.764 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H](C)F)c(C)s1 ZINC000336765170 178249321 /nfs/dbraw/zinc/24/93/21/178249321.db2.gz QSPOWWSSDHJMGQ-WPRPVWTQSA-N 1 0 229.364 3.764 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1(SC)CC1 ZINC000336765815 168314168 /nfs/dbraw/zinc/31/41/68/168314168.db2.gz REXFDGXMEKCNMY-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000336766021 179552417 /nfs/dbraw/zinc/55/24/17/179552417.db2.gz RTWVPCUAJFTPDI-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000336766029 179554630 /nfs/dbraw/zinc/55/46/30/179554630.db2.gz RTWVPCUAJFTPDI-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CC(C)CSCCC[NH2+]CC1(C)CCC1 ZINC000336767357 136275976 /nfs/dbraw/zinc/27/59/76/136275976.db2.gz SYWYVZRFPHHMFA-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CC1(CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000336767756 168020399 /nfs/dbraw/zinc/02/03/99/168020399.db2.gz UAZCRAQIVVLJDN-UHFFFAOYSA-N 1 0 223.747 3.620 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336767865 385930154 /nfs/dbraw/zinc/93/01/54/385930154.db2.gz SUYLVYZNAZNTRQ-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336767866 385930135 /nfs/dbraw/zinc/93/01/35/385930135.db2.gz SUYLVYZNAZNTRQ-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336767867 385929764 /nfs/dbraw/zinc/92/97/64/385929764.db2.gz SUYLVYZNAZNTRQ-SRVKXCTJSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336767868 170643456 /nfs/dbraw/zinc/64/34/56/170643456.db2.gz SUYLVYZNAZNTRQ-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C)C1(C)CC1 ZINC000336768915 188012407 /nfs/dbraw/zinc/01/24/07/188012407.db2.gz VBROTMPKZLBHTO-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C)C1(C)CC1 ZINC000336768916 188184489 /nfs/dbraw/zinc/18/44/89/188184489.db2.gz VBROTMPKZLBHTO-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CCCc1csc(C[NH2+][C@H](C)[C@H](C)CC)n1 ZINC000336768999 385975027 /nfs/dbraw/zinc/97/50/27/385975027.db2.gz RIBUWHJKYXFTTR-GHMZBOCLSA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1csc(C[NH2+][C@@H](C)[C@H](C)CC)n1 ZINC000336769000 385975202 /nfs/dbraw/zinc/97/52/02/385975202.db2.gz RIBUWHJKYXFTTR-MNOVXSKESA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1csc(C[NH2+][C@@H](C)[C@@H](C)CC)n1 ZINC000336769001 385974252 /nfs/dbraw/zinc/97/42/52/385974252.db2.gz RIBUWHJKYXFTTR-QWRGUYRKSA-N 1 0 240.416 3.620 20 0 BHADRO CCCc1csc(C[NH2+][C@H](C)[C@@H](C)CC)n1 ZINC000336769002 385976379 /nfs/dbraw/zinc/97/63/79/385976379.db2.gz RIBUWHJKYXFTTR-WDEREUQCSA-N 1 0 240.416 3.620 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccs1 ZINC000336769542 385982137 /nfs/dbraw/zinc/98/21/37/385982137.db2.gz UZWZJQPBTBCYCD-MRVPVSSYSA-N 1 0 237.290 3.569 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccs1 ZINC000336769555 385980861 /nfs/dbraw/zinc/98/08/61/385980861.db2.gz UZWZJQPBTBCYCD-QMMMGPOBSA-N 1 0 237.290 3.569 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336771868 386066230 /nfs/dbraw/zinc/06/62/30/386066230.db2.gz XPYBQBNHBDQEGP-CMPLNLGQSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336771870 386067481 /nfs/dbraw/zinc/06/74/81/386067481.db2.gz XPYBQBNHBDQEGP-JQWIXIFHSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336771872 179806847 /nfs/dbraw/zinc/80/68/47/179806847.db2.gz XPYBQBNHBDQEGP-PWSUYJOCSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336771875 386067072 /nfs/dbraw/zinc/06/70/72/386067072.db2.gz XPYBQBNHBDQEGP-ZYHUDNBSSA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000336774865 187828596 /nfs/dbraw/zinc/82/85/96/187828596.db2.gz ZYQCFVMBXFNMDY-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000336774867 323084950 /nfs/dbraw/zinc/08/49/50/323084950.db2.gz ZYQCFVMBXFNMDY-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO CC1(C[NH2+]CCc2ccccc2Cl)CCC1 ZINC000336775799 537846429 /nfs/dbraw/zinc/84/64/29/537846429.db2.gz CSLYYPAKCZQDCC-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO Cc1occc1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000336776279 386393012 /nfs/dbraw/zinc/39/30/12/386393012.db2.gz FINSJYXLYRUCDF-GHMZBOCLSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000336776280 386392640 /nfs/dbraw/zinc/39/26/40/386392640.db2.gz FINSJYXLYRUCDF-QWRGUYRKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000336776281 386397018 /nfs/dbraw/zinc/39/70/18/386397018.db2.gz FINSJYXLYRUCDF-YABSGUDNSA-N 1 0 221.344 3.502 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000336776335 168281565 /nfs/dbraw/zinc/28/15/65/168281565.db2.gz FORDXORAGNDNDS-UHFFFAOYSA-N 1 0 240.416 3.792 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000336776724 386406181 /nfs/dbraw/zinc/40/61/81/386406181.db2.gz GLNBOSLQRHHLIG-MRVPVSSYSA-N 1 0 249.301 3.655 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000336776725 188006340 /nfs/dbraw/zinc/00/63/40/188006340.db2.gz GLNBOSLQRHHLIG-QMMMGPOBSA-N 1 0 249.301 3.655 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000336776779 168157148 /nfs/dbraw/zinc/15/71/48/168157148.db2.gz GPYHGIPPEJOITL-JXQTWKCFSA-N 1 0 221.388 3.735 20 0 BHADRO CC1CCC(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000336776780 168156065 /nfs/dbraw/zinc/15/60/65/168156065.db2.gz GPYHGIPPEJOITL-RUXDESIVSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000336777278 487778903 /nfs/dbraw/zinc/77/89/03/487778903.db2.gz HXRHEPMBLBOZHP-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000336777279 353489724 /nfs/dbraw/zinc/48/97/24/353489724.db2.gz HXRHEPMBLBOZHP-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCC2CC2)o1 ZINC000336777730 386431008 /nfs/dbraw/zinc/43/10/08/386431008.db2.gz JJFIXFDWSKUVGK-LLVKDONJSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCC2CC2)o1 ZINC000336777731 386430148 /nfs/dbraw/zinc/43/01/48/386430148.db2.gz JJFIXFDWSKUVGK-NSHDSACASA-N 1 0 221.344 3.510 20 0 BHADRO CCSc1cccc(C[NH2+]CCC2CC2)c1 ZINC000336777781 537847631 /nfs/dbraw/zinc/84/76/31/537847631.db2.gz JNBCGECUOLJLIO-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCC1 ZINC000336778437 168044880 /nfs/dbraw/zinc/04/48/80/168044880.db2.gz LJLKXFYAPPFSFJ-CHWSQXEVSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCC1 ZINC000336778438 168046770 /nfs/dbraw/zinc/04/67/70/168046770.db2.gz LJLKXFYAPPFSFJ-OLZOCXBDSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCC1 ZINC000336778439 168045346 /nfs/dbraw/zinc/04/53/46/168045346.db2.gz LJLKXFYAPPFSFJ-QWHCGFSZSA-N 1 0 227.367 3.685 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCC1 ZINC000336778440 168047135 /nfs/dbraw/zinc/04/71/35/168047135.db2.gz LJLKXFYAPPFSFJ-STQMWFEESA-N 1 0 227.367 3.685 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CCC1 ZINC000336778521 179224311 /nfs/dbraw/zinc/22/43/11/179224311.db2.gz LNRPJPUCJYCBGC-BXUZGUMPSA-N 1 0 215.340 3.685 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CCC1 ZINC000336778522 179222774 /nfs/dbraw/zinc/22/27/74/179222774.db2.gz LNRPJPUCJYCBGC-FZMZJTMJSA-N 1 0 215.340 3.685 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCC1 ZINC000336778523 179224783 /nfs/dbraw/zinc/22/47/83/179224783.db2.gz LNRPJPUCJYCBGC-RISCZKNCSA-N 1 0 215.340 3.685 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCC1 ZINC000336778524 179222564 /nfs/dbraw/zinc/22/25/64/179222564.db2.gz LNRPJPUCJYCBGC-SMDDNHRTSA-N 1 0 215.340 3.685 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccccn1 ZINC000336778662 168277821 /nfs/dbraw/zinc/27/78/21/168277821.db2.gz LYNNRWIQNOZVDM-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccccn1 ZINC000336778663 168275670 /nfs/dbraw/zinc/27/56/70/168275670.db2.gz LYNNRWIQNOZVDM-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000336779006 386486000 /nfs/dbraw/zinc/48/60/00/386486000.db2.gz MYTHBITYUNQVTR-COPLHBTASA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000336779007 386486450 /nfs/dbraw/zinc/48/64/50/386486450.db2.gz MYTHBITYUNQVTR-JTNHKYCSSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000336779008 386484885 /nfs/dbraw/zinc/48/48/85/386484885.db2.gz MYTHBITYUNQVTR-MISXGVKJSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000336779009 386485986 /nfs/dbraw/zinc/48/59/86/386485986.db2.gz MYTHBITYUNQVTR-UHIISALHSA-N 1 0 221.344 3.502 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000336779024 386485186 /nfs/dbraw/zinc/48/51/86/386485186.db2.gz MZSJGDVDDRWXTA-LLVKDONJSA-N 1 0 241.400 3.690 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000336779025 170628845 /nfs/dbraw/zinc/62/88/45/170628845.db2.gz MZSJGDVDDRWXTA-NSHDSACASA-N 1 0 241.400 3.690 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000336779043 177193606 /nfs/dbraw/zinc/19/36/06/177193606.db2.gz NBDJCHBWZIUQHZ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000336779044 177204859 /nfs/dbraw/zinc/20/48/59/177204859.db2.gz NBDJCHBWZIUQHZ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000336779045 176232864 /nfs/dbraw/zinc/23/28/64/176232864.db2.gz NBDJCHBWZIUQHZ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000336779046 176211841 /nfs/dbraw/zinc/21/18/41/176211841.db2.gz NBDJCHBWZIUQHZ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000336779205 353540450 /nfs/dbraw/zinc/54/04/50/353540450.db2.gz NLNUJYRRUQHWLC-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000336779206 353540546 /nfs/dbraw/zinc/54/05/46/353540546.db2.gz NLNUJYRRUQHWLC-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO CCCc1csc(C[NH2+]C2(C)CCCC2)n1 ZINC000336779471 386507863 /nfs/dbraw/zinc/50/78/63/386507863.db2.gz OJPSGELOULBTKN-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336779513 176237182 /nfs/dbraw/zinc/23/71/82/176237182.db2.gz ONRFMMZINLWPGU-GMSGAONNSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336779514 177207195 /nfs/dbraw/zinc/20/71/95/177207195.db2.gz ONRFMMZINLWPGU-OIBJUYFYSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336779515 176217923 /nfs/dbraw/zinc/21/79/23/176217923.db2.gz ONRFMMZINLWPGU-XCBNKYQSSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336779516 177195653 /nfs/dbraw/zinc/19/56/53/177195653.db2.gz ONRFMMZINLWPGU-XVKPBYJWSA-N 1 0 249.301 3.655 20 0 BHADRO CCSc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000336779703 170656113 /nfs/dbraw/zinc/65/61/13/170656113.db2.gz PHMNOXXXZIFNGC-UHFFFAOYSA-N 1 0 235.396 3.688 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@H](C)C1 ZINC000336779730 176232823 /nfs/dbraw/zinc/23/28/23/176232823.db2.gz PKQJAIVPFXCPDF-BZPMIXESSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000336779731 177355778 /nfs/dbraw/zinc/35/57/78/177355778.db2.gz PKQJAIVPFXCPDF-DYEKYZERSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000336779732 177356917 /nfs/dbraw/zinc/35/69/17/177356917.db2.gz PKQJAIVPFXCPDF-MBNYWOFBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@H](C)C1 ZINC000336779733 176212520 /nfs/dbraw/zinc/21/25/20/176212520.db2.gz PKQJAIVPFXCPDF-YRGRVCCFSA-N 1 0 221.388 3.733 20 0 BHADRO CCCc1csc(C[NH2+]CC(C)(C)CC)n1 ZINC000336779956 188176830 /nfs/dbraw/zinc/17/68/30/188176830.db2.gz PXJNUXNZVDVHLL-UHFFFAOYSA-N 1 0 240.416 3.621 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336780437 353589237 /nfs/dbraw/zinc/58/92/37/353589237.db2.gz RIBJRMWZKIKUOY-CYBMUJFWSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336780438 353589293 /nfs/dbraw/zinc/58/92/93/353589293.db2.gz RIBJRMWZKIKUOY-ZDUSSCGKSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2occc2c1 ZINC000336780606 168299388 /nfs/dbraw/zinc/29/93/88/168299388.db2.gz RUQQHNGGSZJLLG-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO Cc1occc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000336781196 386585951 /nfs/dbraw/zinc/58/59/51/386585951.db2.gz UBADPYCGQABKDB-GHMZBOCLSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000336781197 386586640 /nfs/dbraw/zinc/58/66/40/386586640.db2.gz UBADPYCGQABKDB-QWRGUYRKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000336781198 386587301 /nfs/dbraw/zinc/58/73/01/386587301.db2.gz UBADPYCGQABKDB-YABSGUDNSA-N 1 0 221.344 3.502 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000336781385 386585788 /nfs/dbraw/zinc/58/57/88/386585788.db2.gz UMZOYNQCUHRXHN-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CCSCC[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000336781386 386585764 /nfs/dbraw/zinc/58/57/64/386585764.db2.gz UMZOYNQCUHRXHN-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000336781430 168045088 /nfs/dbraw/zinc/04/50/88/168045088.db2.gz USKGWEUMTDVXSZ-CYBMUJFWSA-N 1 0 235.758 3.717 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000336781431 168046544 /nfs/dbraw/zinc/04/65/44/168046544.db2.gz USKGWEUMTDVXSZ-ZDUSSCGKSA-N 1 0 235.758 3.717 20 0 BHADRO CCc1ccc(C[NH2+]C2CC3(CCC3)C2)s1 ZINC000336781721 171804174 /nfs/dbraw/zinc/80/41/74/171804174.db2.gz VKGPCCNTRRHSAT-UHFFFAOYSA-N 1 0 235.396 3.733 20 0 BHADRO CC1(C)CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000336781792 398255922 /nfs/dbraw/zinc/25/59/22/398255922.db2.gz VQZHVKIJDVNVMP-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1(C)CC1 ZINC000336782006 386625353 /nfs/dbraw/zinc/62/53/53/386625353.db2.gz WKHNXBLBMOADSR-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1(C)CC1 ZINC000336782007 386625117 /nfs/dbraw/zinc/62/51/17/386625117.db2.gz WKHNXBLBMOADSR-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000336782209 176212528 /nfs/dbraw/zinc/21/25/28/176212528.db2.gz WYNHVYRNZTWBKN-HBIQZDMRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000336782210 177193674 /nfs/dbraw/zinc/19/36/74/177193674.db2.gz WYNHVYRNZTWBKN-WNYYMSAVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000336782211 177204448 /nfs/dbraw/zinc/20/44/48/177204448.db2.gz WYNHVYRNZTWBKN-XKGSQUFQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000336782212 176232860 /nfs/dbraw/zinc/23/28/60/176232860.db2.gz WYNHVYRNZTWBKN-YYJSSNLHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782545 177123339 /nfs/dbraw/zinc/12/33/39/177123339.db2.gz YADCDWWGDLFYFM-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782546 177136515 /nfs/dbraw/zinc/13/65/15/177136515.db2.gz YADCDWWGDLFYFM-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782547 176143211 /nfs/dbraw/zinc/14/32/11/176143211.db2.gz YADCDWWGDLFYFM-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782548 176122504 /nfs/dbraw/zinc/12/25/04/176122504.db2.gz YADCDWWGDLFYFM-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782578 176206155 /nfs/dbraw/zinc/20/61/55/176206155.db2.gz YCFOXYMSUPESFQ-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782579 176227041 /nfs/dbraw/zinc/22/70/41/176227041.db2.gz YCFOXYMSUPESFQ-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782580 177190711 /nfs/dbraw/zinc/19/07/11/177190711.db2.gz YCFOXYMSUPESFQ-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000336782581 177202612 /nfs/dbraw/zinc/20/26/12/177202612.db2.gz YCFOXYMSUPESFQ-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C[C@H]1C ZINC000336782712 176234101 /nfs/dbraw/zinc/23/41/01/176234101.db2.gz YOPDKJBURXPUKO-MQYQWHSLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C[C@@H]1C ZINC000336782713 177335111 /nfs/dbraw/zinc/33/51/11/177335111.db2.gz YOPDKJBURXPUKO-RFGFWPKPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C[C@H]1C ZINC000336782714 176233927 /nfs/dbraw/zinc/23/39/27/176233927.db2.gz YOPDKJBURXPUKO-YIYPIFLZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C[C@@H]1C ZINC000336782715 177333425 /nfs/dbraw/zinc/33/34/25/177333425.db2.gz YOPDKJBURXPUKO-ZOBORPQBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)C1CC1 ZINC000336783191 175907608 /nfs/dbraw/zinc/90/76/08/175907608.db2.gz ZQYONQOTMRRNDT-SSDOTTSWSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]([NH2+]Cc1cscc1C(F)(F)F)C1CC1 ZINC000336783192 488014560 /nfs/dbraw/zinc/01/45/60/488014560.db2.gz ZQYONQOTMRRNDT-ZETCQYMHSA-N 1 0 249.301 3.655 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)o1 ZINC000336783198 488013408 /nfs/dbraw/zinc/01/34/08/488013408.db2.gz ZRSXFHPWUHIYPI-LLVKDONJSA-N 1 0 221.344 3.683 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC2(C)CC2)o1 ZINC000336783199 488012734 /nfs/dbraw/zinc/01/27/34/488012734.db2.gz ZRSXFHPWUHIYPI-NSHDSACASA-N 1 0 221.344 3.683 20 0 BHADRO CC1CC([NH2+]Cc2cc(F)c(Cl)cc2F)C1 ZINC000336783233 168146420 /nfs/dbraw/zinc/14/64/20/168146420.db2.gz ZVCGKLWSCCAOGY-UHFFFAOYSA-N 1 0 245.700 3.506 20 0 BHADRO Cc1ccc(C)n1C1CC[NH+](CCC2CC2)CC1 ZINC000336783709 386506758 /nfs/dbraw/zinc/50/67/58/386506758.db2.gz GCLVKHJVFSQRML-UHFFFAOYSA-N 1 0 246.398 3.542 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC000336783896 175348791 /nfs/dbraw/zinc/34/87/91/175348791.db2.gz IETWPRRRMZSTKR-HNNXBMFYSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC000336783897 175354322 /nfs/dbraw/zinc/35/43/22/175354322.db2.gz IETWPRRRMZSTKR-OAHLLOKOSA-N 1 0 245.366 3.632 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000336784783 386511797 /nfs/dbraw/zinc/51/17/97/386511797.db2.gz XIAHIWAGAPPYOK-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000336784784 386511625 /nfs/dbraw/zinc/51/16/25/386511625.db2.gz XIAHIWAGAPPYOK-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(C)cc1 ZINC000336786671 171516085 /nfs/dbraw/zinc/51/60/85/171516085.db2.gz CLNGUHIKVRDHJM-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(C)cc1 ZINC000336786672 387002955 /nfs/dbraw/zinc/00/29/55/387002955.db2.gz CLNGUHIKVRDHJM-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000336786999 170352117 /nfs/dbraw/zinc/35/21/17/170352117.db2.gz CZIDNFJQQOHPHR-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](CC)c1ccccc1 ZINC000336787000 170352173 /nfs/dbraw/zinc/35/21/73/170352173.db2.gz CZIDNFJQQOHPHR-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO c1ccc2ncc(C[NH+]3CCCCCC3)cc2c1 ZINC000336787407 387016463 /nfs/dbraw/zinc/01/64/63/387016463.db2.gz DWSFSFRYZIDNIE-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000336787588 169554227 /nfs/dbraw/zinc/55/42/27/169554227.db2.gz MJLCXILRCXSRCJ-CVEARBPZSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000336787589 387018871 /nfs/dbraw/zinc/01/88/71/387018871.db2.gz MJLCXILRCXSRCJ-HOTGVXAUSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000336787590 387019263 /nfs/dbraw/zinc/01/92/63/387019263.db2.gz MJLCXILRCXSRCJ-HZPDHXFCSA-N 1 0 249.398 3.587 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000336787591 387019086 /nfs/dbraw/zinc/01/90/86/387019086.db2.gz MJLCXILRCXSRCJ-JKSUJKDBSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)c1cccc(C)c1 ZINC000336787724 387021765 /nfs/dbraw/zinc/02/17/65/387021765.db2.gz MNJCEWKSBFNWMW-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)c1cccc(C)c1 ZINC000336787725 387021020 /nfs/dbraw/zinc/02/10/20/387021020.db2.gz MNJCEWKSBFNWMW-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO CC[C@H]([NH2+]CC1(OC)CCC1)c1cccc(C)c1 ZINC000336788554 387061663 /nfs/dbraw/zinc/06/16/63/387061663.db2.gz PSQBBFCGZUIBJZ-HNNXBMFYSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1cccc(C)c1 ZINC000336788555 387062909 /nfs/dbraw/zinc/06/29/09/387062909.db2.gz PSQBBFCGZUIBJZ-OAHLLOKOSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C)c1 ZINC000336788715 356693910 /nfs/dbraw/zinc/69/39/10/356693910.db2.gz QNLPMUDZTXSHOR-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C)c1 ZINC000336788716 387066624 /nfs/dbraw/zinc/06/66/24/387066624.db2.gz QNLPMUDZTXSHOR-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C)c1 ZINC000336788717 170899534 /nfs/dbraw/zinc/89/95/34/170899534.db2.gz QNLPMUDZTXSHOR-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C)c1 ZINC000336788719 387065793 /nfs/dbraw/zinc/06/57/93/387065793.db2.gz QNLPMUDZTXSHOR-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000336788966 365376636 /nfs/dbraw/zinc/37/66/36/365376636.db2.gz IAQLDFMBVHEZHQ-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000336788967 388470691 /nfs/dbraw/zinc/47/06/91/388470691.db2.gz IAQLDFMBVHEZHQ-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000336788968 388470927 /nfs/dbraw/zinc/47/09/27/388470927.db2.gz IAQLDFMBVHEZHQ-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000336788969 388471328 /nfs/dbraw/zinc/47/13/28/388471328.db2.gz IAQLDFMBVHEZHQ-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000336789110 387112309 /nfs/dbraw/zinc/11/23/09/387112309.db2.gz IGJSCIDBQYHTNN-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000336789111 387113481 /nfs/dbraw/zinc/11/34/81/387113481.db2.gz IGJSCIDBQYHTNN-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336789339 170314152 /nfs/dbraw/zinc/31/41/52/170314152.db2.gz IYJVUXZWWJDZKW-DOMZBBRYSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336789340 170313854 /nfs/dbraw/zinc/31/38/54/170313854.db2.gz IYJVUXZWWJDZKW-IUODEOHRSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336789341 170314144 /nfs/dbraw/zinc/31/41/44/170314144.db2.gz IYJVUXZWWJDZKW-SWLSCSKDSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336789342 170313855 /nfs/dbraw/zinc/31/38/55/170313855.db2.gz IYJVUXZWWJDZKW-WFASDCNBSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)c1cccc(C)c1 ZINC000336789882 171520133 /nfs/dbraw/zinc/52/01/33/171520133.db2.gz VGUGSZQADNLDMD-INIZCTEOSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)c1cccc(C)c1 ZINC000336789883 387572984 /nfs/dbraw/zinc/57/29/84/387572984.db2.gz VGUGSZQADNLDMD-MRXNPFEDSA-N 1 0 249.398 3.851 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1cccc(C)c1 ZINC000336789892 171523639 /nfs/dbraw/zinc/52/36/39/171523639.db2.gz VIFJGOMVIIYOND-INIZCTEOSA-N 1 0 243.350 3.871 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1cccc(C)c1 ZINC000336789993 388471095 /nfs/dbraw/zinc/47/10/95/388471095.db2.gz VIFJGOMVIIYOND-MRXNPFEDSA-N 1 0 243.350 3.871 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)COC)c1ccccc1 ZINC000336790124 169510213 /nfs/dbraw/zinc/51/02/13/169510213.db2.gz KRDFQOHJFQMEGS-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)COC)c1ccccc1 ZINC000336790125 169399679 /nfs/dbraw/zinc/39/96/79/169399679.db2.gz KRDFQOHJFQMEGS-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1coc2ccccc12 ZINC000336790517 387785529 /nfs/dbraw/zinc/78/55/29/387785529.db2.gz LNEGNEHFURJPIX-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO CC[C@H]([NH2+]CC(CC)(CC)OC)c1ccccc1 ZINC000336790923 387826626 /nfs/dbraw/zinc/82/66/26/387826626.db2.gz MJZWQGWNNFGBNH-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)OC)c1ccccc1 ZINC000336790928 387827761 /nfs/dbraw/zinc/82/77/61/387827761.db2.gz MJZWQGWNNFGBNH-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1cccc(C)c1 ZINC000336791181 387968171 /nfs/dbraw/zinc/96/81/71/387968171.db2.gz ZQBWKWDKDMURRN-JYJNAYRXSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1cccc(C)c1 ZINC000336791185 387971320 /nfs/dbraw/zinc/97/13/20/387971320.db2.gz ZQBWKWDKDMURRN-OAGGEKHMSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1cccc(C)c1 ZINC000336791187 387976873 /nfs/dbraw/zinc/97/68/73/387976873.db2.gz ZQBWKWDKDMURRN-PMPSAXMXSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1cccc(C)c1 ZINC000336791189 636726750 /nfs/dbraw/zinc/72/67/50/636726750.db2.gz ZQBWKWDKDMURRN-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1cccnc1 ZINC000336791230 388471075 /nfs/dbraw/zinc/47/10/75/388471075.db2.gz MWCFIXAZOFIBEW-CYBMUJFWSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1cccnc1 ZINC000336791235 388471267 /nfs/dbraw/zinc/47/12/67/388471267.db2.gz MWCFIXAZOFIBEW-ZDUSSCGKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCc2ccco2)c2ccccc21 ZINC000336791409 177331816 /nfs/dbraw/zinc/33/18/16/177331816.db2.gz NJSULSLCEZQGSI-BLLLJJGKSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCc2ccco2)c2ccccc21 ZINC000336791410 177370380 /nfs/dbraw/zinc/37/03/80/177370380.db2.gz NJSULSLCEZQGSI-LRDDRELGSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)c2ccccc21 ZINC000336791411 176376479 /nfs/dbraw/zinc/37/64/79/176376479.db2.gz NJSULSLCEZQGSI-MLGOLLRUSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccco2)c2ccccc21 ZINC000336791412 176421704 /nfs/dbraw/zinc/42/17/04/176421704.db2.gz NJSULSLCEZQGSI-WBMJQRKESA-N 1 0 241.334 3.660 20 0 BHADRO CCCC[C@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000336792887 169011981 /nfs/dbraw/zinc/01/19/81/169011981.db2.gz UQBSPLRLDYRXGR-HNNXBMFYSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000336792888 168973463 /nfs/dbraw/zinc/97/34/63/168973463.db2.gz UQBSPLRLDYRXGR-OAHLLOKOSA-N 1 0 249.398 3.669 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000336793062 359289551 /nfs/dbraw/zinc/28/95/51/359289551.db2.gz VHDBENXGGXFPRA-CABCVRRESA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000336793063 167936620 /nfs/dbraw/zinc/93/66/20/167936620.db2.gz VHDBENXGGXFPRA-GJZGRUSLSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000336793064 188084441 /nfs/dbraw/zinc/08/44/41/188084441.db2.gz VHDBENXGGXFPRA-HUUCEWRRSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000336793065 387157834 /nfs/dbraw/zinc/15/78/34/387157834.db2.gz VHDBENXGGXFPRA-LSDHHAIUSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(OC)cc1 ZINC000336793819 359293655 /nfs/dbraw/zinc/29/36/55/359293655.db2.gz YNAMXHSMTBFDIU-CABCVRRESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(OC)cc1 ZINC000336793820 171547308 /nfs/dbraw/zinc/54/73/08/171547308.db2.gz YNAMXHSMTBFDIU-GJZGRUSLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(OC)cc1 ZINC000336793821 359293753 /nfs/dbraw/zinc/29/37/53/359293753.db2.gz YNAMXHSMTBFDIU-HUUCEWRRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(OC)cc1 ZINC000336793822 387171644 /nfs/dbraw/zinc/17/16/44/387171644.db2.gz YNAMXHSMTBFDIU-LSDHHAIUSA-N 1 0 247.382 3.925 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000336794207 168973517 /nfs/dbraw/zinc/97/35/17/168973517.db2.gz AFNCEPZCCOEPFB-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H]([NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000336794208 168973315 /nfs/dbraw/zinc/97/33/15/168973315.db2.gz AFNCEPZCCOEPFB-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000336794209 169011343 /nfs/dbraw/zinc/01/13/43/169011343.db2.gz AFNCEPZCCOEPFB-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H]([NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000336794210 169012195 /nfs/dbraw/zinc/01/21/95/169012195.db2.gz AFNCEPZCCOEPFB-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000336794313 387184395 /nfs/dbraw/zinc/18/43/95/387184395.db2.gz BEKFKFZZSFBVMU-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000336794314 387184798 /nfs/dbraw/zinc/18/47/98/387184798.db2.gz BEKFKFZZSFBVMU-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000336794315 174690040 /nfs/dbraw/zinc/69/00/40/174690040.db2.gz BEKFKFZZSFBVMU-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000336794316 387184724 /nfs/dbraw/zinc/18/47/24/387184724.db2.gz BEKFKFZZSFBVMU-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]C[C@@H](CC)OC)cc1 ZINC000336794442 387187045 /nfs/dbraw/zinc/18/70/45/387187045.db2.gz CBKUTUVYBFJFBZ-CVEARBPZSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+]C[C@H](CC)OC)cc1 ZINC000336794443 387185953 /nfs/dbraw/zinc/18/59/53/387185953.db2.gz CBKUTUVYBFJFBZ-HOTGVXAUSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]C[C@@H](CC)OC)cc1 ZINC000336794444 387188126 /nfs/dbraw/zinc/18/81/26/387188126.db2.gz CBKUTUVYBFJFBZ-HZPDHXFCSA-N 1 0 249.398 3.715 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+]C[C@H](CC)OC)cc1 ZINC000336794445 387188080 /nfs/dbraw/zinc/18/80/80/387188080.db2.gz CBKUTUVYBFJFBZ-JKSUJKDBSA-N 1 0 249.398 3.715 20 0 BHADRO COC1(CC[NH2+][C@H](C)c2cccc(C)c2)CCC1 ZINC000336794513 387182549 /nfs/dbraw/zinc/18/25/49/387182549.db2.gz CMQWFSRCWIKPTA-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CCC1(OC)CCC1)c1ccccc1 ZINC000336794700 387191696 /nfs/dbraw/zinc/19/16/96/387191696.db2.gz DZONYKFZXMJPCC-HNNXBMFYSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H]([NH2+]CCC1(OC)CCC1)c1ccccc1 ZINC000336794701 387193452 /nfs/dbraw/zinc/19/34/52/387193452.db2.gz DZONYKFZXMJPCC-OAHLLOKOSA-N 1 0 247.382 3.687 20 0 BHADRO COC1(CC[NH2+][C@@H](C)c2ccc(C)cc2)CCC1 ZINC000336795049 387203769 /nfs/dbraw/zinc/20/37/69/387203769.db2.gz HLPGJEOQDICLNL-AWEZNQCLSA-N 1 0 247.382 3.605 20 0 BHADRO COC1(CC[NH2+][C@H](C)c2ccc(C)cc2)CCC1 ZINC000336795050 173991427 /nfs/dbraw/zinc/99/14/27/173991427.db2.gz HLPGJEOQDICLNL-CQSZACIVSA-N 1 0 247.382 3.605 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000336795941 387221383 /nfs/dbraw/zinc/22/13/83/387221383.db2.gz OJFXWKZNYFGXDK-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000336795942 168481779 /nfs/dbraw/zinc/48/17/79/168481779.db2.gz OJFXWKZNYFGXDK-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)OC ZINC000336796182 387227537 /nfs/dbraw/zinc/22/75/37/387227537.db2.gz QIMLZRKWTINMMA-IOASZLSFSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C)c2ccccc21)OC ZINC000336796183 387228240 /nfs/dbraw/zinc/22/82/40/387228240.db2.gz QIMLZRKWTINMMA-WOSRLPQWSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)OC ZINC000336796184 387227921 /nfs/dbraw/zinc/22/79/21/387227921.db2.gz QIMLZRKWTINMMA-XJKCOSOUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H](C)c2ccccc21)OC ZINC000336796185 171440499 /nfs/dbraw/zinc/44/04/99/171440499.db2.gz QIMLZRKWTINMMA-ZENOOKHLSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H]([NH2+]CC1(OC)CCCC1)c1ccccc1 ZINC000336796777 387246969 /nfs/dbraw/zinc/24/69/69/387246969.db2.gz VSOYUIKVQVIHLH-HNNXBMFYSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H]([NH2+]CC1(OC)CCCC1)c1ccccc1 ZINC000336796778 170891326 /nfs/dbraw/zinc/89/13/26/170891326.db2.gz VSOYUIKVQVIHLH-OAHLLOKOSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC(C)C)c1ccccc1)OC ZINC000336797026 387258544 /nfs/dbraw/zinc/25/85/44/387258544.db2.gz YCBZAXCPDOVZIV-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC(C)C)c1ccccc1)OC ZINC000336797027 387258460 /nfs/dbraw/zinc/25/84/60/387258460.db2.gz YCBZAXCPDOVZIV-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C[NH2+][C@H](CC(C)C)c1ccccc1)OC ZINC000336797028 171440426 /nfs/dbraw/zinc/44/04/26/171440426.db2.gz YCBZAXCPDOVZIV-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC(C)C)c1ccccc1)OC ZINC000336797029 387256895 /nfs/dbraw/zinc/25/68/95/387256895.db2.gz YCBZAXCPDOVZIV-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)C2CC2)o1 ZINC000336884808 388471066 /nfs/dbraw/zinc/47/10/66/388471066.db2.gz CGLXSGOERXFJGI-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO CSC1(C[NH2+]CCC(C)(C)C2CC2)CCC1 ZINC000336885647 175450584 /nfs/dbraw/zinc/45/05/84/175450584.db2.gz DJSNJCBRZSDHGU-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccsc1)C1CC1 ZINC000336887103 206038592 /nfs/dbraw/zinc/03/85/92/206038592.db2.gz HOGDCYYGQGTQBK-UHFFFAOYSA-N 1 0 223.385 3.664 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)ccn1)c1ccccc1 ZINC000336892929 388438695 /nfs/dbraw/zinc/43/86/95/388438695.db2.gz KHGDVHQKSLAQSC-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)ccn1)c1ccccc1 ZINC000336892930 364791663 /nfs/dbraw/zinc/79/16/63/364791663.db2.gz KHGDVHQKSLAQSC-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC(C)(CC[NH2+]CC1(C)CCC1)C1CC1 ZINC000336894894 168040938 /nfs/dbraw/zinc/04/09/38/168040938.db2.gz XTKHYZMVVFZESG-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000336895523 398218248 /nfs/dbraw/zinc/21/82/48/398218248.db2.gz MZNPZJIOPWLNJU-CABCVRRESA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000336895525 398217975 /nfs/dbraw/zinc/21/79/75/398217975.db2.gz MZNPZJIOPWLNJU-GJZGRUSLSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000336895526 398218275 /nfs/dbraw/zinc/21/82/75/398218275.db2.gz MZNPZJIOPWLNJU-HUUCEWRRSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000336895527 169512241 /nfs/dbraw/zinc/51/22/41/169512241.db2.gz MZNPZJIOPWLNJU-LSDHHAIUSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C)c1 ZINC000336903783 365381863 /nfs/dbraw/zinc/38/18/63/365381863.db2.gz VJGKEAXZLMVHPA-CABCVRRESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C)c1 ZINC000336903785 388472253 /nfs/dbraw/zinc/47/22/53/388472253.db2.gz VJGKEAXZLMVHPA-GJZGRUSLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C)c1 ZINC000336903788 365382197 /nfs/dbraw/zinc/38/21/97/365382197.db2.gz VJGKEAXZLMVHPA-HUUCEWRRSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C)c1 ZINC000336903790 388472410 /nfs/dbraw/zinc/47/24/10/388472410.db2.gz VJGKEAXZLMVHPA-LSDHHAIUSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000336923239 386555972 /nfs/dbraw/zinc/55/59/72/386555972.db2.gz IYSZOKGBBHRIET-LLVKDONJSA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cc[nH+]c(NC[C@H]2CCCC(F)(F)C2)c1 ZINC000336923240 386556520 /nfs/dbraw/zinc/55/65/20/386556520.db2.gz IYSZOKGBBHRIET-NSHDSACASA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cccc(NC[C@@H]2CCCC(F)(F)C2)[nH+]1 ZINC000336958020 179146089 /nfs/dbraw/zinc/14/60/89/179146089.db2.gz YIDZQAFKPNTVKX-LLVKDONJSA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cccc(NC[C@H]2CCCC(F)(F)C2)[nH+]1 ZINC000336958021 179148177 /nfs/dbraw/zinc/14/81/77/179148177.db2.gz YIDZQAFKPNTVKX-NSHDSACASA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cccc(NCC2CCC(F)(F)CC2)[nH+]1 ZINC000336980586 179143349 /nfs/dbraw/zinc/14/33/49/179143349.db2.gz CPXASAHUEVDAJD-UHFFFAOYSA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cc[nH+]c(NCC2CCC(F)(F)CC2)c1 ZINC000336988476 386570969 /nfs/dbraw/zinc/57/09/69/386570969.db2.gz JATZAWNIKLDPJK-UHFFFAOYSA-N 1 0 240.297 3.627 20 0 BHADRO C[N@H+](CCCC(C)(C)C)Cc1ccoc1 ZINC000337121369 386613504 /nfs/dbraw/zinc/61/35/04/386613504.db2.gz AGLYWIGIKJNHCH-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO Cc1ncc(C[N@@H+](C)C[C@H](C)CC(C)C)s1 ZINC000337123794 180137973 /nfs/dbraw/zinc/13/79/73/180137973.db2.gz CKTLYFUQXBWURD-LLVKDONJSA-N 1 0 240.416 3.566 20 0 BHADRO Cc1ncc(C[N@@H+](C)C[C@@H](C)CC(C)C)s1 ZINC000337123795 180137573 /nfs/dbraw/zinc/13/75/73/180137573.db2.gz CKTLYFUQXBWURD-NSHDSACASA-N 1 0 240.416 3.566 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337125620 176074255 /nfs/dbraw/zinc/07/42/55/176074255.db2.gz FFFWEEIZYNSBEZ-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337125621 177076798 /nfs/dbraw/zinc/07/67/98/177076798.db2.gz FFFWEEIZYNSBEZ-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO C[N@H+](CCCC(C)(C)C)Cc1ccco1 ZINC000337128165 386615687 /nfs/dbraw/zinc/61/56/87/386615687.db2.gz HYIJWIHTHNVPEJ-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO CCC[NH+](CCC)Cc1cnc2ccccc2c1 ZINC000337129010 169151467 /nfs/dbraw/zinc/15/14/67/169151467.db2.gz IMUMQKVQFVOPNA-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cnc2ccccc2c1 ZINC000337131316 177187473 /nfs/dbraw/zinc/18/74/73/177187473.db2.gz AACGDESWCOOEMV-BETUJISGSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cnc2ccccc2c1 ZINC000337131319 176200325 /nfs/dbraw/zinc/20/03/25/176200325.db2.gz AACGDESWCOOEMV-CHWSQXEVSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cnc2ccccc2c1 ZINC000337131321 177200331 /nfs/dbraw/zinc/20/03/31/177200331.db2.gz AACGDESWCOOEMV-STQMWFEESA-N 1 0 240.350 3.608 20 0 BHADRO C[N@H+](Cc1cnc2ccccc2c1)CC(C)(C)C ZINC000337134472 386621804 /nfs/dbraw/zinc/62/18/04/386621804.db2.gz LSXNIJQVVBQIAI-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCC[N@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000337136320 169179992 /nfs/dbraw/zinc/17/99/92/169179992.db2.gz NDEBGPLCJIBVFJ-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[N@@H+](Cc1cnc2ccccc2c1)CC(C)C ZINC000337138563 169929766 /nfs/dbraw/zinc/92/97/66/169929766.db2.gz QSAAEVFSUAYYNA-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337138671 350559296 /nfs/dbraw/zinc/55/92/96/350559296.db2.gz PFUZGYDRUOQATI-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337140586 167369617 /nfs/dbraw/zinc/36/96/17/167369617.db2.gz UKQYUXRXJICRON-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337140588 386622804 /nfs/dbraw/zinc/62/28/04/386622804.db2.gz UKQYUXRXJICRON-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337142123 386624981 /nfs/dbraw/zinc/62/49/81/386624981.db2.gz SYEWINDLSKODOH-HNNXBMFYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000337142124 350560126 /nfs/dbraw/zinc/56/01/26/350560126.db2.gz SYEWINDLSKODOH-OAHLLOKOSA-N 1 0 240.350 3.609 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337142525 169364529 /nfs/dbraw/zinc/36/45/29/169364529.db2.gz XDMLCNBHLAEVFH-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337142526 386626312 /nfs/dbraw/zinc/62/63/12/386626312.db2.gz XDMLCNBHLAEVFH-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO Cc1ncc(C[N@H+](C)CCCC(C)(C)C)s1 ZINC000337142852 180138641 /nfs/dbraw/zinc/13/86/41/180138641.db2.gz USKBZCLTUAEURT-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CC[N@H+](Cc1ccnn1C(C)C)C1CCCCC1 ZINC000337143926 350560268 /nfs/dbraw/zinc/56/02/68/350560268.db2.gz WANDAEPKWIULCA-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000337164554 191136143 /nfs/dbraw/zinc/13/61/43/191136143.db2.gz XUZWWTVQFIWBSQ-KBPBESRZSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000337164556 188361704 /nfs/dbraw/zinc/36/17/04/188361704.db2.gz XUZWWTVQFIWBSQ-UONOGXRCSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CCCC(C)(C)C ZINC000337167746 176034704 /nfs/dbraw/zinc/03/47/04/176034704.db2.gz AZGVGGRKTJDABN-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](Cc1cccnc1)C1CC1 ZINC000337168181 191136290 /nfs/dbraw/zinc/13/62/90/191136290.db2.gz BINQTQKEGPUHTQ-AWEZNQCLSA-N 1 0 246.398 3.728 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](Cc1cccnc1)C1CC1 ZINC000337168182 188185348 /nfs/dbraw/zinc/18/53/48/188185348.db2.gz BINQTQKEGPUHTQ-CQSZACIVSA-N 1 0 246.398 3.728 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCCC(C)(C)C ZINC000337168901 177044677 /nfs/dbraw/zinc/04/46/77/177044677.db2.gz BWGQKWFZQCFOTE-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCCC(C)(C)C ZINC000337168902 176028891 /nfs/dbraw/zinc/02/88/91/176028891.db2.gz BWGQKWFZQCFOTE-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO COC1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC000337169723 174021710 /nfs/dbraw/zinc/02/17/10/174021710.db2.gz DTOROPJAJINAID-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H](C)CC(C)C)n1 ZINC000337171290 179066161 /nfs/dbraw/zinc/06/61/61/179066161.db2.gz DOGMJLAGOZQVSP-CYBMUJFWSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H](C)CC(C)C)n1 ZINC000337171291 179065285 /nfs/dbraw/zinc/06/52/85/179065285.db2.gz DOGMJLAGOZQVSP-ZDUSSCGKSA-N 1 0 234.387 3.504 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H](C)CC(C)C ZINC000337172961 350561192 /nfs/dbraw/zinc/56/11/92/350561192.db2.gz GWAWZAWVGVFAHO-AWEZNQCLSA-N 1 0 234.387 3.586 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H](C)CC(C)C ZINC000337172962 350561053 /nfs/dbraw/zinc/56/10/53/350561053.db2.gz GWAWZAWVGVFAHO-CQSZACIVSA-N 1 0 234.387 3.586 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000337176449 386636519 /nfs/dbraw/zinc/63/65/19/386636519.db2.gz IYZAAOAYICDQKK-KBPBESRZSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000337176450 191136003 /nfs/dbraw/zinc/13/60/03/191136003.db2.gz IYZAAOAYICDQKK-KGLIPLIRSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000337176451 191136266 /nfs/dbraw/zinc/13/62/66/191136266.db2.gz IYZAAOAYICDQKK-UONOGXRCSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000337176452 386637386 /nfs/dbraw/zinc/63/73/86/386637386.db2.gz IYZAAOAYICDQKK-ZIAGYGMSSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)[NH+](Cc1cnc2ccccc2c1)C(C)C ZINC000337176705 188013151 /nfs/dbraw/zinc/01/31/51/188013151.db2.gz JCEZCZBDMDSQNX-UHFFFAOYSA-N 1 0 242.366 3.854 20 0 BHADRO CC[N@H+](Cc1cnc2ccccc2c1)C1CCC1 ZINC000337177624 350560923 /nfs/dbraw/zinc/56/09/23/350560923.db2.gz KDSKCZIWORBBET-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC(C)(C)CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000337178999 386635232 /nfs/dbraw/zinc/63/52/32/386635232.db2.gz KVWQFUVKQIEYHZ-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](Cc1ccncc1)C1CC1 ZINC000337179011 188361196 /nfs/dbraw/zinc/36/11/96/188361196.db2.gz KWQUAAJWWCXVIH-AWEZNQCLSA-N 1 0 246.398 3.728 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](Cc1ccncc1)C1CC1 ZINC000337179012 187323974 /nfs/dbraw/zinc/32/39/74/187323974.db2.gz KWQUAAJWWCXVIH-CQSZACIVSA-N 1 0 246.398 3.728 20 0 BHADRO CC[N@H+](CCCC(C)(C)C)Cc1ccccn1 ZINC000337179699 386636446 /nfs/dbraw/zinc/63/64/46/386636446.db2.gz LREQFISPHXADOV-UHFFFAOYSA-N 1 0 234.387 3.730 20 0 BHADRO Cc1cccc(C[N@H+](C)CCCC(C)(C)C)n1 ZINC000337179980 179065475 /nfs/dbraw/zinc/06/54/75/179065475.db2.gz LQDOYXMOGJYAMY-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO CC[N@H+](CCCC(C)(C)C)Cc1ccncc1 ZINC000337182273 386652293 /nfs/dbraw/zinc/65/22/93/386652293.db2.gz NBYCAEXDKGAHKS-UHFFFAOYSA-N 1 0 234.387 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H](C)CC(C)C ZINC000337183123 350563157 /nfs/dbraw/zinc/56/31/57/350563157.db2.gz NLFVWPBAJZYIKO-AWEZNQCLSA-N 1 0 234.387 3.586 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H](C)CC(C)C ZINC000337183124 169925234 /nfs/dbraw/zinc/92/52/34/169925234.db2.gz NLFVWPBAJZYIKO-CQSZACIVSA-N 1 0 234.387 3.586 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](Cc1ccccn1)C1CC1 ZINC000337183611 188361538 /nfs/dbraw/zinc/36/15/38/188361538.db2.gz NVCRMBLKEIFBAB-AWEZNQCLSA-N 1 0 246.398 3.728 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](Cc1ccccn1)C1CC1 ZINC000337183612 187324107 /nfs/dbraw/zinc/32/41/07/187324107.db2.gz NVCRMBLKEIFBAB-CQSZACIVSA-N 1 0 246.398 3.728 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccnn1C(C)C ZINC000337184077 386655715 /nfs/dbraw/zinc/65/57/15/386655715.db2.gz NPOUJTAKZDREOP-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccnn1C(C)C ZINC000337184079 350562768 /nfs/dbraw/zinc/56/27/68/350562768.db2.gz NPOUJTAKZDREOP-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000337184126 188185677 /nfs/dbraw/zinc/18/56/77/188185677.db2.gz OAISTXSKCAQZFV-KBPBESRZSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000337184128 187323923 /nfs/dbraw/zinc/32/39/23/187323923.db2.gz OAISTXSKCAQZFV-KGLIPLIRSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000337184129 386654390 /nfs/dbraw/zinc/65/43/90/386654390.db2.gz OAISTXSKCAQZFV-UONOGXRCSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000337184130 188361518 /nfs/dbraw/zinc/36/15/18/188361518.db2.gz OAISTXSKCAQZFV-ZIAGYGMSSA-N 1 0 234.387 3.757 20 0 BHADRO Cc1ncsc1C[N@H+](C)CCCC(C)(C)C ZINC000337185091 180313861 /nfs/dbraw/zinc/31/38/61/180313861.db2.gz OBURDJRBXLJLLE-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337185726 168287407 /nfs/dbraw/zinc/28/74/07/168287407.db2.gz OYTDYFBSFWIYFA-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CCCC(C)(C)C ZINC000337189381 176025722 /nfs/dbraw/zinc/02/57/22/176025722.db2.gz RLUVZJIETFKWAF-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CC(C)(C)CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000337190618 386642563 /nfs/dbraw/zinc/64/25/63/386642563.db2.gz SRYQAQSTOBOZIG-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337190732 386642054 /nfs/dbraw/zinc/64/20/54/386642054.db2.gz RXQBITZZQRLCBM-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000337190733 171274533 /nfs/dbraw/zinc/27/45/33/171274533.db2.gz RXQBITZZQRLCBM-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)(C)CCC[N@H+](Cc1ccncc1)C1CC1 ZINC000337190960 386641299 /nfs/dbraw/zinc/64/12/99/386641299.db2.gz SWPQQAIIUPIHKW-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000337197938 187323857 /nfs/dbraw/zinc/32/38/57/187323857.db2.gz ZEVZOTOEVNGLCK-GDBMZVCRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000337197939 188362097 /nfs/dbraw/zinc/36/20/97/188362097.db2.gz ZEVZOTOEVNGLCK-GOEBONIOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000337197940 386648883 /nfs/dbraw/zinc/64/88/83/386648883.db2.gz ZEVZOTOEVNGLCK-HOCLYGCPSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000337197941 386649596 /nfs/dbraw/zinc/64/95/96/386649596.db2.gz ZEVZOTOEVNGLCK-ZBFHGGJFSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000337198701 166561558 /nfs/dbraw/zinc/56/15/58/166561558.db2.gz ZWFZASBGBOJUKY-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000337198702 386647805 /nfs/dbraw/zinc/64/78/05/386647805.db2.gz ZWFZASBGBOJUKY-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@H]1CCCCC1(C)C ZINC000337210265 388850405 /nfs/dbraw/zinc/85/04/05/388850405.db2.gz TVRCIVNIUYYHCR-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@H]1CCCCC1(C)C ZINC000337210267 388850458 /nfs/dbraw/zinc/85/04/58/388850458.db2.gz TVRCIVNIUYYHCR-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1cc(C[NH+]2Cc3ccccc3C2)c(C)s1 ZINC000337221390 178009059 /nfs/dbraw/zinc/00/90/59/178009059.db2.gz MHUMSEGIAQZPCY-UHFFFAOYSA-N 1 0 243.375 3.881 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H](C)CC(C)C ZINC000337246553 386675502 /nfs/dbraw/zinc/67/55/02/386675502.db2.gz OQWZDESXECRBPN-CYBMUJFWSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC000337246554 386675973 /nfs/dbraw/zinc/67/59/73/386675973.db2.gz OQWZDESXECRBPN-ZDUSSCGKSA-N 1 0 234.387 3.504 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CCC1(C)CC1 ZINC000337250671 386679481 /nfs/dbraw/zinc/67/94/81/386679481.db2.gz KCDQXRMFGWCNNJ-UHFFFAOYSA-N 1 0 247.382 3.537 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000337253958 168150600 /nfs/dbraw/zinc/15/06/00/168150600.db2.gz MBTBLGSVYRQEAD-SHARSMKWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000337253959 168150989 /nfs/dbraw/zinc/15/09/89/168150989.db2.gz MBTBLGSVYRQEAD-SLTAFYQDSA-N 1 0 241.419 3.606 20 0 BHADRO C[N@H+](CCSC1CCCCC1)C1CCC1 ZINC000337257685 386692587 /nfs/dbraw/zinc/69/25/87/386692587.db2.gz ULNKGLSKGDKARS-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CCSCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000337264996 170629375 /nfs/dbraw/zinc/62/93/75/170629375.db2.gz TUGJPRSQUKYESF-CABCVRRESA-N 1 0 249.423 3.523 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000337264997 386694339 /nfs/dbraw/zinc/69/43/39/386694339.db2.gz TUGJPRSQUKYESF-GJZGRUSLSA-N 1 0 249.423 3.523 20 0 BHADRO CCSCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000337264998 386694782 /nfs/dbraw/zinc/69/47/82/386694782.db2.gz TUGJPRSQUKYESF-HUUCEWRRSA-N 1 0 249.423 3.523 20 0 BHADRO CCSCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000337264999 170628751 /nfs/dbraw/zinc/62/87/51/170628751.db2.gz TUGJPRSQUKYESF-LSDHHAIUSA-N 1 0 249.423 3.523 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337265216 188361661 /nfs/dbraw/zinc/36/16/61/188361661.db2.gz UACWSJICRASQER-GDBMZVCRSA-N 1 0 244.382 3.664 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337265217 187498401 /nfs/dbraw/zinc/49/84/01/187498401.db2.gz UACWSJICRASQER-GOEBONIOSA-N 1 0 244.382 3.664 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337265218 188014712 /nfs/dbraw/zinc/01/47/12/188014712.db2.gz UACWSJICRASQER-HOCLYGCPSA-N 1 0 244.382 3.664 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337265219 187498249 /nfs/dbraw/zinc/49/82/49/187498249.db2.gz UACWSJICRASQER-ZBFHGGJFSA-N 1 0 244.382 3.664 20 0 BHADRO Cc1ccncc1C[N@H+](C)CCCC(C)(C)C ZINC000337266399 386693559 /nfs/dbraw/zinc/69/35/59/386693559.db2.gz ZDVAUKDQJZHBLN-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC(F)(F)CC2)o1 ZINC000337279760 386699733 /nfs/dbraw/zinc/69/97/33/386699733.db2.gz GSJGDSZKZTVVOT-UHFFFAOYSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccoc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000337280128 386697222 /nfs/dbraw/zinc/69/72/22/386697222.db2.gz HCPDXLGEEIZSFF-UHFFFAOYSA-N 1 0 243.297 3.503 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000337294997 385589172 /nfs/dbraw/zinc/58/91/72/385589172.db2.gz IIMBXRFCOQVBLF-AWEZNQCLSA-N 1 0 246.398 3.525 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000337294998 169366455 /nfs/dbraw/zinc/36/64/55/169366455.db2.gz IIMBXRFCOQVBLF-CQSZACIVSA-N 1 0 246.398 3.525 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)CC ZINC000337309352 385592719 /nfs/dbraw/zinc/59/27/19/385592719.db2.gz ZDCLBRKQDBGBOI-GXTWGEPZSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)CC ZINC000337309353 385592775 /nfs/dbraw/zinc/59/27/75/385592775.db2.gz ZDCLBRKQDBGBOI-JSGCOSHPSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)CC ZINC000337309354 385592684 /nfs/dbraw/zinc/59/26/84/385592684.db2.gz ZDCLBRKQDBGBOI-OCCSQVGLSA-N 1 0 235.371 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)CC ZINC000337309355 385593298 /nfs/dbraw/zinc/59/32/98/385593298.db2.gz ZDCLBRKQDBGBOI-TZMCWYRMSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000337315878 385595464 /nfs/dbraw/zinc/59/54/64/385595464.db2.gz KCPNTRVXWJCPBG-AWEZNQCLSA-N 1 0 246.398 3.758 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000337315879 169366398 /nfs/dbraw/zinc/36/63/98/169366398.db2.gz KCPNTRVXWJCPBG-CQSZACIVSA-N 1 0 246.398 3.758 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333511 385601302 /nfs/dbraw/zinc/60/13/02/385601302.db2.gz JTLQPCVSBNKFSH-DZGCQCFKSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333512 166592454 /nfs/dbraw/zinc/59/24/54/166592454.db2.gz JTLQPCVSBNKFSH-HIFRSBDPSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333513 385602050 /nfs/dbraw/zinc/60/20/50/385602050.db2.gz JTLQPCVSBNKFSH-UKRRQHHQSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333514 385601462 /nfs/dbraw/zinc/60/14/62/385601462.db2.gz JTLQPCVSBNKFSH-ZFWWWQNUSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000337336707 385607606 /nfs/dbraw/zinc/60/76/06/385607606.db2.gz NUACKYVBCMHZCG-GFCCVEGCSA-N 1 0 234.387 3.540 20 0 BHADRO CC[C@H](C)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000337336708 171317648 /nfs/dbraw/zinc/31/76/48/171317648.db2.gz NUACKYVBCMHZCG-LBPRGKRZSA-N 1 0 234.387 3.540 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000337342846 385610626 /nfs/dbraw/zinc/61/06/26/385610626.db2.gz WSABWYIMJCKGJP-CYBMUJFWSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000337342847 171317669 /nfs/dbraw/zinc/31/76/69/171317669.db2.gz WSABWYIMJCKGJP-ZDUSSCGKSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COC(C)C)c1ccc(C)cc1 ZINC000337342919 350575564 /nfs/dbraw/zinc/57/55/64/350575564.db2.gz RTZHNBXYHBHSKB-GDBMZVCRSA-N 1 0 249.398 3.849 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COC(C)C)c1ccc(C)cc1 ZINC000337342925 350575331 /nfs/dbraw/zinc/57/53/31/350575331.db2.gz RTZHNBXYHBHSKB-GOEBONIOSA-N 1 0 249.398 3.849 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COC(C)C)c1ccc(C)cc1 ZINC000337342926 385610590 /nfs/dbraw/zinc/61/05/90/385610590.db2.gz RTZHNBXYHBHSKB-HOCLYGCPSA-N 1 0 249.398 3.849 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COC(C)C)c1ccc(C)cc1 ZINC000337342928 385610562 /nfs/dbraw/zinc/61/05/62/385610562.db2.gz RTZHNBXYHBHSKB-ZBFHGGJFSA-N 1 0 249.398 3.849 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000337344453 170907079 /nfs/dbraw/zinc/90/70/79/170907079.db2.gz UADHMSAAOARNTF-DZGCQCFKSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000337344454 385611616 /nfs/dbraw/zinc/61/16/16/385611616.db2.gz UADHMSAAOARNTF-HIFRSBDPSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000337344455 170912556 /nfs/dbraw/zinc/91/25/56/170912556.db2.gz UADHMSAAOARNTF-UKRRQHHQSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000337344456 171537481 /nfs/dbraw/zinc/53/74/81/171537481.db2.gz UADHMSAAOARNTF-ZFWWWQNUSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000337346905 169403157 /nfs/dbraw/zinc/40/31/57/169403157.db2.gz WXLLPIRHEMJFFE-GDBMZVCRSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000337346906 385612368 /nfs/dbraw/zinc/61/23/68/385612368.db2.gz WXLLPIRHEMJFFE-GOEBONIOSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000337346907 385612448 /nfs/dbraw/zinc/61/24/48/385612448.db2.gz WXLLPIRHEMJFFE-HOCLYGCPSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000337346908 385612912 /nfs/dbraw/zinc/61/29/12/385612912.db2.gz WXLLPIRHEMJFFE-ZBFHGGJFSA-N 1 0 249.398 3.931 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH2+]C1CCC1 ZINC000337349453 183379792 /nfs/dbraw/zinc/37/97/92/183379792.db2.gz PQJNLJRSKAFQAL-UHFFFAOYSA-N 1 0 227.307 3.589 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC23CCC3)s1 ZINC000337364479 385624642 /nfs/dbraw/zinc/62/46/42/385624642.db2.gz AUPALRUEJQLUFV-BXUZGUMPSA-N 1 0 249.423 3.910 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC23CCC3)s1 ZINC000337364480 385623867 /nfs/dbraw/zinc/62/38/67/385623867.db2.gz AUPALRUEJQLUFV-FZMZJTMJSA-N 1 0 249.423 3.910 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCC23CCC3)s1 ZINC000337364481 385625225 /nfs/dbraw/zinc/62/52/25/385625225.db2.gz AUPALRUEJQLUFV-RISCZKNCSA-N 1 0 249.423 3.910 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC23CCC3)s1 ZINC000337364482 385625518 /nfs/dbraw/zinc/62/55/18/385625518.db2.gz AUPALRUEJQLUFV-SMDDNHRTSA-N 1 0 249.423 3.910 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337372070 385626658 /nfs/dbraw/zinc/62/66/58/385626658.db2.gz ACFBGQMTJBYBCO-GFCCVEGCSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337372071 385626894 /nfs/dbraw/zinc/62/68/94/385626894.db2.gz ACFBGQMTJBYBCO-LBPRGKRZSA-N 1 0 247.386 3.591 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337376705 385630186 /nfs/dbraw/zinc/63/01/86/385630186.db2.gz ASQDSFYDSKVCKY-GXTWGEPZSA-N 1 0 245.391 3.756 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337376707 385629542 /nfs/dbraw/zinc/62/95/42/385629542.db2.gz ASQDSFYDSKVCKY-JSGCOSHPSA-N 1 0 245.391 3.756 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337376709 385629664 /nfs/dbraw/zinc/62/96/64/385629664.db2.gz ASQDSFYDSKVCKY-OCCSQVGLSA-N 1 0 245.391 3.756 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337376711 385630745 /nfs/dbraw/zinc/63/07/45/385630745.db2.gz ASQDSFYDSKVCKY-TZMCWYRMSA-N 1 0 245.391 3.756 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC23CCC3)c1 ZINC000337377427 175287537 /nfs/dbraw/zinc/28/75/37/175287537.db2.gz BIMSIWHIFZJNQC-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337377428 175287750 /nfs/dbraw/zinc/28/77/50/175287750.db2.gz BIMSIWHIFZJNQC-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337377429 175293579 /nfs/dbraw/zinc/29/35/79/175293579.db2.gz BIMSIWHIFZJNQC-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC23CCC3)c1 ZINC000337377430 175293217 /nfs/dbraw/zinc/29/32/17/175293217.db2.gz BIMSIWHIFZJNQC-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337377865 187498473 /nfs/dbraw/zinc/49/84/73/187498473.db2.gz BKHMMQJQGRAYKP-AWEZNQCLSA-N 1 0 247.407 3.701 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337377894 187324519 /nfs/dbraw/zinc/32/45/19/187324519.db2.gz BKHMMQJQGRAYKP-CQSZACIVSA-N 1 0 247.407 3.701 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCC3)c(C)c1 ZINC000337380719 385621599 /nfs/dbraw/zinc/62/15/99/385621599.db2.gz DHTNLSFSKKAEST-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)c(C)c1 ZINC000337380720 385621875 /nfs/dbraw/zinc/62/18/75/385621875.db2.gz DHTNLSFSKKAEST-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000337383776 385638284 /nfs/dbraw/zinc/63/82/84/385638284.db2.gz ZWSLESWJXGKDGJ-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000337383777 171348136 /nfs/dbraw/zinc/34/81/36/171348136.db2.gz ZWSLESWJXGKDGJ-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000337383778 171346455 /nfs/dbraw/zinc/34/64/55/171346455.db2.gz ZWSLESWJXGKDGJ-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000337383779 385636747 /nfs/dbraw/zinc/63/67/47/385636747.db2.gz ZWSLESWJXGKDGJ-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1(COC)CCC1 ZINC000337394941 168314093 /nfs/dbraw/zinc/31/40/93/168314093.db2.gz PCFUANSULRKPQT-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1F ZINC000337401104 178632777 /nfs/dbraw/zinc/63/27/77/178632777.db2.gz PPYXZSLNXLKZPK-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000337401105 178624866 /nfs/dbraw/zinc/62/48/66/178624866.db2.gz PPYXZSLNXLKZPK-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO c1ccc(C2(C[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337401871 183387653 /nfs/dbraw/zinc/38/76/53/183387653.db2.gz QDOBBOWHUNENMZ-HNNXBMFYSA-N 1 0 241.378 3.641 20 0 BHADRO c1ccc(C2(C[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337401872 183387758 /nfs/dbraw/zinc/38/77/58/183387758.db2.gz QDOBBOWHUNENMZ-OAHLLOKOSA-N 1 0 241.378 3.641 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000337404876 385650834 /nfs/dbraw/zinc/65/08/34/385650834.db2.gz RPKYHQAARRVLPM-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337404879 385651331 /nfs/dbraw/zinc/65/13/31/385651331.db2.gz RPKYHQAARRVLPM-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC23CCC3)ccc1F ZINC000337413540 178039678 /nfs/dbraw/zinc/03/96/78/178039678.db2.gz XSOPRVLTVTZWLV-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC23CCC3)ccc1F ZINC000337413541 178034099 /nfs/dbraw/zinc/03/40/99/178034099.db2.gz XSOPRVLTVTZWLV-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337422762 385654727 /nfs/dbraw/zinc/65/47/27/385654727.db2.gz RLKQNSQEFXQTCM-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337422780 385654988 /nfs/dbraw/zinc/65/49/88/385654988.db2.gz RLKQNSQEFXQTCM-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337422782 180917673 /nfs/dbraw/zinc/91/76/73/180917673.db2.gz RLKQNSQEFXQTCM-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337422783 385655679 /nfs/dbraw/zinc/65/56/79/385655679.db2.gz RLKQNSQEFXQTCM-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C3CC3)CC2)oc1C ZINC000337422997 178223109 /nfs/dbraw/zinc/22/31/09/178223109.db2.gz GEMCBVHSUMBTRK-LLVKDONJSA-N 1 0 233.355 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)oc1C ZINC000337422999 178247425 /nfs/dbraw/zinc/24/74/25/178247425.db2.gz GEMCBVHSUMBTRK-NSHDSACASA-N 1 0 233.355 3.737 20 0 BHADRO Cc1ccc(CN2CCCC[C@@H]2C(F)F)s1 ZINC000337423491 385656022 /nfs/dbraw/zinc/65/60/22/385656022.db2.gz XOBSIFXGEQJWKE-LLVKDONJSA-N 1 0 245.338 3.676 20 0 BHADRO Cc1ccc(CN2CCCC[C@H]2C(F)F)s1 ZINC000337423493 385655273 /nfs/dbraw/zinc/65/52/73/385655273.db2.gz XOBSIFXGEQJWKE-NSHDSACASA-N 1 0 245.338 3.676 20 0 BHADRO c1ccc(CC2([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337423576 183390443 /nfs/dbraw/zinc/39/04/43/183390443.db2.gz GIBMWBRZGLVVGA-HNNXBMFYSA-N 1 0 241.378 3.684 20 0 BHADRO c1ccc(CC2([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337423578 183390121 /nfs/dbraw/zinc/39/01/21/183390121.db2.gz GIBMWBRZGLVVGA-OAHLLOKOSA-N 1 0 241.378 3.684 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccsc2)oc1C ZINC000337452071 178227720 /nfs/dbraw/zinc/22/77/20/178227720.db2.gz IENURQMLZGGFKW-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccsc2)oc1C ZINC000337452095 178249401 /nfs/dbraw/zinc/24/94/01/178249401.db2.gz IENURQMLZGGFKW-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C(C)C)CC2)oc1C ZINC000337455913 178221932 /nfs/dbraw/zinc/22/19/32/178221932.db2.gz JEMZXTIESXJRGW-GFCCVEGCSA-N 1 0 235.371 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C(C)C)CC2)oc1C ZINC000337455929 178245759 /nfs/dbraw/zinc/24/57/59/178245759.db2.gz JEMZXTIESXJRGW-LBPRGKRZSA-N 1 0 235.371 3.983 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1SC ZINC000337460833 385669049 /nfs/dbraw/zinc/66/90/49/385669049.db2.gz KDYQDYWXPYNDDG-LLVKDONJSA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1SC ZINC000337460838 171307393 /nfs/dbraw/zinc/30/73/93/171307393.db2.gz KDYQDYWXPYNDDG-NSHDSACASA-N 1 0 223.385 3.639 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC23CCC3)o1 ZINC000337465514 188186811 /nfs/dbraw/zinc/18/68/11/188186811.db2.gz LTKUPENUPLGYRM-DOMZBBRYSA-N 1 0 247.382 3.831 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC23CCC3)o1 ZINC000337465515 187324410 /nfs/dbraw/zinc/32/44/10/187324410.db2.gz LTKUPENUPLGYRM-IUODEOHRSA-N 1 0 247.382 3.831 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC23CCC3)o1 ZINC000337465516 178538440 /nfs/dbraw/zinc/53/84/40/178538440.db2.gz LTKUPENUPLGYRM-SWLSCSKDSA-N 1 0 247.382 3.831 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC23CCC3)o1 ZINC000337465517 385671644 /nfs/dbraw/zinc/67/16/44/385671644.db2.gz LTKUPENUPLGYRM-WFASDCNBSA-N 1 0 247.382 3.831 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC2CCCC2)no1 ZINC000337470785 178224657 /nfs/dbraw/zinc/22/46/57/178224657.db2.gz VZKGIWZUYCKNSF-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC2CCCC2)no1 ZINC000337470786 178247581 /nfs/dbraw/zinc/24/75/81/178247581.db2.gz VZKGIWZUYCKNSF-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337472796 385676397 /nfs/dbraw/zinc/67/63/97/385676397.db2.gz OCZQXCNIKAOZOV-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337472797 385676981 /nfs/dbraw/zinc/67/69/81/385676981.db2.gz OCZQXCNIKAOZOV-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474740 170909861 /nfs/dbraw/zinc/90/98/61/170909861.db2.gz OPEOIRANKZVKOH-CHWSQXEVSA-N 1 0 248.370 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474746 350588428 /nfs/dbraw/zinc/58/84/28/350588428.db2.gz OPEOIRANKZVKOH-OLZOCXBDSA-N 1 0 248.370 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474749 385678844 /nfs/dbraw/zinc/67/88/44/385678844.db2.gz OPEOIRANKZVKOH-QWHCGFSZSA-N 1 0 248.370 3.665 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474752 385679437 /nfs/dbraw/zinc/67/94/37/385679437.db2.gz OPEOIRANKZVKOH-STQMWFEESA-N 1 0 248.370 3.665 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)oc1C ZINC000337475667 178256133 /nfs/dbraw/zinc/25/61/33/178256133.db2.gz OWQRDTXLTXHISF-BDAKNGLRSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)oc1C ZINC000337475668 178230678 /nfs/dbraw/zinc/23/06/78/178230678.db2.gz OWQRDTXLTXHISF-DTWKUNHWSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)oc1C ZINC000337475671 178252429 /nfs/dbraw/zinc/25/24/29/178252429.db2.gz OWQRDTXLTXHISF-IUCAKERBSA-N 1 0 249.276 3.888 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)oc1C ZINC000337475673 178233392 /nfs/dbraw/zinc/23/33/92/178233392.db2.gz OWQRDTXLTXHISF-RKDXNWHRSA-N 1 0 249.276 3.888 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CCC12CCC2 ZINC000337475764 183438698 /nfs/dbraw/zinc/43/86/98/183438698.db2.gz OYHOSNSGTCWZDY-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CCC12CCC2 ZINC000337475770 183439395 /nfs/dbraw/zinc/43/93/95/183439395.db2.gz OYHOSNSGTCWZDY-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337477000 180962298 /nfs/dbraw/zinc/96/22/98/180962298.db2.gz PIFOUVOACNMDML-AWEZNQCLSA-N 1 0 245.341 3.737 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337477004 180963111 /nfs/dbraw/zinc/96/31/11/180963111.db2.gz PIFOUVOACNMDML-CQSZACIVSA-N 1 0 245.341 3.737 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337482924 183389645 /nfs/dbraw/zinc/38/96/45/183389645.db2.gz RIGIMMBKTXMCAG-AWEZNQCLSA-N 1 0 227.351 3.598 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337482927 183389405 /nfs/dbraw/zinc/38/94/05/183389405.db2.gz RIGIMMBKTXMCAG-CQSZACIVSA-N 1 0 227.351 3.598 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337483525 183335400 /nfs/dbraw/zinc/33/54/00/183335400.db2.gz RNRCIIZEYDLMCY-INIZCTEOSA-N 1 0 241.378 3.986 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337483528 183334160 /nfs/dbraw/zinc/33/41/60/183334160.db2.gz RNRCIIZEYDLMCY-MRXNPFEDSA-N 1 0 241.378 3.986 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337484698 385672098 /nfs/dbraw/zinc/67/20/98/385672098.db2.gz RWLDPBZLWXJAHK-CABCVRRESA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337484699 385672972 /nfs/dbraw/zinc/67/29/72/385672972.db2.gz RWLDPBZLWXJAHK-GJZGRUSLSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337484700 385671982 /nfs/dbraw/zinc/67/19/82/385671982.db2.gz RWLDPBZLWXJAHK-HUUCEWRRSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337484701 385671699 /nfs/dbraw/zinc/67/16/99/385671699.db2.gz RWLDPBZLWXJAHK-LSDHHAIUSA-N 1 0 245.341 3.735 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000337488680 592536713 /nfs/dbraw/zinc/53/67/13/592536713.db2.gz UPVRLFGUEDYGNG-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000337488681 592536697 /nfs/dbraw/zinc/53/66/97/592536697.db2.gz UPVRLFGUEDYGNG-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000337488682 592536908 /nfs/dbraw/zinc/53/69/08/592536908.db2.gz UPVRLFGUEDYGNG-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000337488683 171928579 /nfs/dbraw/zinc/92/85/79/171928579.db2.gz UPVRLFGUEDYGNG-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000337490040 385688415 /nfs/dbraw/zinc/68/84/15/385688415.db2.gz VMZOHUPONZZIAZ-SNPRPXQTSA-N 1 0 233.399 3.878 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000337490041 385687525 /nfs/dbraw/zinc/68/75/25/385687525.db2.gz VMZOHUPONZZIAZ-YUELXQCFSA-N 1 0 233.399 3.878 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337491391 385687142 /nfs/dbraw/zinc/68/71/42/385687142.db2.gz WJZAZHXJLDNWNV-HNNXBMFYSA-N 1 0 229.367 3.671 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337491392 385687370 /nfs/dbraw/zinc/68/73/70/385687370.db2.gz WJZAZHXJLDNWNV-OAHLLOKOSA-N 1 0 229.367 3.671 20 0 BHADRO Fc1ccccc1C1([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337494748 181010222 /nfs/dbraw/zinc/01/02/22/181010222.db2.gz XUWAUGOGYOOFGK-AWEZNQCLSA-N 1 0 245.341 3.737 20 0 BHADRO Fc1ccccc1C1([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337494749 181010182 /nfs/dbraw/zinc/01/01/82/181010182.db2.gz XUWAUGOGYOOFGK-CQSZACIVSA-N 1 0 245.341 3.737 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337495153 188186413 /nfs/dbraw/zinc/18/64/13/188186413.db2.gz YAFAQHGPWMGVJI-AWEZNQCLSA-N 1 0 247.407 3.831 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337495154 385683600 /nfs/dbraw/zinc/68/36/00/385683600.db2.gz YAFAQHGPWMGVJI-CQSZACIVSA-N 1 0 247.407 3.831 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337496618 385683658 /nfs/dbraw/zinc/68/36/58/385683658.db2.gz YQYXYLAEZCWPGI-CVEARBPZSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337496630 385684250 /nfs/dbraw/zinc/68/42/50/385684250.db2.gz YQYXYLAEZCWPGI-HOTGVXAUSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337496637 183443065 /nfs/dbraw/zinc/44/30/65/183443065.db2.gz YQYXYLAEZCWPGI-HZPDHXFCSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337496650 385685143 /nfs/dbraw/zinc/68/51/43/385685143.db2.gz YQYXYLAEZCWPGI-JKSUJKDBSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000337497339 385686369 /nfs/dbraw/zinc/68/63/69/385686369.db2.gz YYWUYKFKZKSPJV-CABCVRRESA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000337497341 385685587 /nfs/dbraw/zinc/68/55/87/385685587.db2.gz YYWUYKFKZKSPJV-HUUCEWRRSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C(F)F)CC2)oc1C ZINC000337498220 178223299 /nfs/dbraw/zinc/22/32/99/178223299.db2.gz ZJKNOXPZMQENMD-SECBINFHSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C(F)F)CC2)oc1C ZINC000337498230 178245011 /nfs/dbraw/zinc/24/50/11/178245011.db2.gz ZJKNOXPZMQENMD-VIFPVBQESA-N 1 0 243.297 3.592 20 0 BHADRO Fc1cccc(C2([NH2+][C@H]3CCC34CCC4)CC2)c1 ZINC000337498699 385685753 /nfs/dbraw/zinc/68/57/53/385685753.db2.gz ZOZUZEAFTWAGRW-AWEZNQCLSA-N 1 0 245.341 3.737 20 0 BHADRO Fc1cccc(C2([NH2+][C@@H]3CCC34CCC4)CC2)c1 ZINC000337498700 385685703 /nfs/dbraw/zinc/68/57/03/385685703.db2.gz ZOZUZEAFTWAGRW-CQSZACIVSA-N 1 0 245.341 3.737 20 0 BHADRO CC[N@H+](Cc1ccccc1Cl)C(C)C ZINC000337502059 350590054 /nfs/dbraw/zinc/59/00/54/350590054.db2.gz LKYWBHOVXBHKHT-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000337504736 350590790 /nfs/dbraw/zinc/59/07/90/350590790.db2.gz OXXOADRKSIOFSI-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337509150 385691135 /nfs/dbraw/zinc/69/11/35/385691135.db2.gz HSGODXZXGPDVNN-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337509152 385690297 /nfs/dbraw/zinc/69/02/97/385690297.db2.gz HSGODXZXGPDVNN-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337515817 175177925 /nfs/dbraw/zinc/17/79/25/175177925.db2.gz LTHOPUBJRWEFRE-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337515818 175177444 /nfs/dbraw/zinc/17/74/44/175177444.db2.gz LTHOPUBJRWEFRE-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337515819 175189817 /nfs/dbraw/zinc/18/98/17/175189817.db2.gz LTHOPUBJRWEFRE-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337515820 175190207 /nfs/dbraw/zinc/19/02/07/175190207.db2.gz LTHOPUBJRWEFRE-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC12CCC2 ZINC000337516706 385700660 /nfs/dbraw/zinc/70/06/60/385700660.db2.gz MCLUBWUMPYYULA-DOMZBBRYSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC12CCC2 ZINC000337516707 385699100 /nfs/dbraw/zinc/69/91/00/385699100.db2.gz MCLUBWUMPYYULA-IUODEOHRSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC12CCC2 ZINC000337516708 175774020 /nfs/dbraw/zinc/77/40/20/175774020.db2.gz MCLUBWUMPYYULA-SWLSCSKDSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCC12CCC2 ZINC000337516709 385699732 /nfs/dbraw/zinc/69/97/32/385699732.db2.gz MCLUBWUMPYYULA-WFASDCNBSA-N 1 0 247.357 3.679 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC12CCC2 ZINC000337521164 385702694 /nfs/dbraw/zinc/70/26/94/385702694.db2.gz PJRCDQBYRDTDBI-GDBMZVCRSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+][C@@H]1CCC12CCC2 ZINC000337521165 385701993 /nfs/dbraw/zinc/70/19/93/385701993.db2.gz PJRCDQBYRDTDBI-GOEBONIOSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1CCC12CCC2 ZINC000337521166 183446365 /nfs/dbraw/zinc/44/63/65/183446365.db2.gz PJRCDQBYRDTDBI-HOCLYGCPSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC12CCC2 ZINC000337521167 183445399 /nfs/dbraw/zinc/44/53/99/183445399.db2.gz PJRCDQBYRDTDBI-ZBFHGGJFSA-N 1 0 241.378 3.639 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCC(C)(C)C2)no1 ZINC000337529183 178232746 /nfs/dbraw/zinc/23/27/46/178232746.db2.gz CFFHOAUDEILRCV-NEPJUHHUSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)no1 ZINC000337529184 178253588 /nfs/dbraw/zinc/25/35/88/178253588.db2.gz CFFHOAUDEILRCV-NWDGAFQWSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCCC(C)(C)C2)no1 ZINC000337529185 178258712 /nfs/dbraw/zinc/25/87/12/178258712.db2.gz CFFHOAUDEILRCV-RYUDHWBXSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC(C)(C)C2)no1 ZINC000337529186 178231626 /nfs/dbraw/zinc/23/16/26/178231626.db2.gz CFFHOAUDEILRCV-VXGBXAGGSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337531051 170751871 /nfs/dbraw/zinc/75/18/71/170751871.db2.gz DDFCNWMIEZBFMU-LLVKDONJSA-N 1 0 248.345 3.628 20 0 BHADRO CC[C@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337531055 171340230 /nfs/dbraw/zinc/34/02/30/171340230.db2.gz DDFCNWMIEZBFMU-NSHDSACASA-N 1 0 248.345 3.628 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337533557 385697350 /nfs/dbraw/zinc/69/73/50/385697350.db2.gz WPDIJDAQWFJONI-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337533565 170546109 /nfs/dbraw/zinc/54/61/09/170546109.db2.gz WPDIJDAQWFJONI-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337548546 385706051 /nfs/dbraw/zinc/70/60/51/385706051.db2.gz NAWQSHUWVSNHGL-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337548548 180916425 /nfs/dbraw/zinc/91/64/25/180916425.db2.gz NAWQSHUWVSNHGL-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc(OC)c1 ZINC000337560635 385710922 /nfs/dbraw/zinc/71/09/22/385710922.db2.gz UYWXUTIYUDNDGY-KCXAZCMYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc(OC)c1 ZINC000337560637 385710959 /nfs/dbraw/zinc/71/09/59/385710959.db2.gz UYWXUTIYUDNDGY-RCBQFDQVSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc(OC)c1 ZINC000337560639 385709849 /nfs/dbraw/zinc/70/98/49/385709849.db2.gz UYWXUTIYUDNDGY-UHOFOFEASA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc(OC)c1 ZINC000337560640 171540379 /nfs/dbraw/zinc/54/03/79/171540379.db2.gz UYWXUTIYUDNDGY-VBNZEHGJSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCC(C)(C)CC2)no1 ZINC000337560645 178222875 /nfs/dbraw/zinc/22/28/75/178222875.db2.gz UZXFQQQGDHYFHR-LLVKDONJSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCC(C)(C)CC2)no1 ZINC000337560646 178245110 /nfs/dbraw/zinc/24/51/10/178245110.db2.gz UZXFQQQGDHYFHR-NSHDSACASA-N 1 0 236.359 3.602 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccco1 ZINC000337563361 176838457 /nfs/dbraw/zinc/83/84/57/176838457.db2.gz WSORFMBLZXNZKB-JTQLQIEISA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccco1 ZINC000337563362 175869646 /nfs/dbraw/zinc/86/96/46/175869646.db2.gz WSORFMBLZXNZKB-SNVBAGLBSA-N 1 0 243.297 3.756 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cnn1C(C)C ZINC000337563932 385710344 /nfs/dbraw/zinc/71/03/44/385710344.db2.gz XCNHWMMVAHJUKO-HUBLWGQQSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cnn1C(C)C ZINC000337563935 385710525 /nfs/dbraw/zinc/71/05/25/385710525.db2.gz XCNHWMMVAHJUKO-SLEUVZQESA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cnn1C(C)C ZINC000337563936 385709830 /nfs/dbraw/zinc/70/98/30/385709830.db2.gz XCNHWMMVAHJUKO-TYNCELHUSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cnn1C(C)C ZINC000337563939 385710373 /nfs/dbraw/zinc/71/03/73/385710373.db2.gz XCNHWMMVAHJUKO-XUJVJEKNSA-N 1 0 249.402 3.612 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2cc(C)on2)CC1 ZINC000337564921 385710551 /nfs/dbraw/zinc/71/05/51/385710551.db2.gz XMCOFAQKVAMXKK-HIFPTAJRSA-N 1 0 236.359 3.602 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2cc(C)on2)CC1 ZINC000337564924 385711230 /nfs/dbraw/zinc/71/12/30/385711230.db2.gz XMCOFAQKVAMXKK-PNESKVBLSA-N 1 0 236.359 3.602 20 0 BHADRO Clc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000337616353 385730477 /nfs/dbraw/zinc/73/04/77/385730477.db2.gz BAOWOKFRNRQDTR-UHFFFAOYSA-N 1 0 241.787 3.528 20 0 BHADRO CCC1(C)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000337628425 385730294 /nfs/dbraw/zinc/73/02/94/385730294.db2.gz BQZWPVSJPBYODJ-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1(C)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000337628428 385730609 /nfs/dbraw/zinc/73/06/09/385730609.db2.gz BQZWPVSJPBYODJ-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1CCC([N@H+](C)CCc2ccncc2)CC1 ZINC000337631133 385730438 /nfs/dbraw/zinc/73/04/38/385730438.db2.gz ONPVLVZBJBAAOV-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1ccc(C)n1C1CC[NH+](CCC(C)C)CC1 ZINC000337632811 178510569 /nfs/dbraw/zinc/51/05/69/178510569.db2.gz ALCBLDUQXQWGES-UHFFFAOYSA-N 1 0 248.414 3.788 20 0 BHADRO CC(C)=CC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000337634419 385733336 /nfs/dbraw/zinc/73/33/36/385733336.db2.gz BGIXOJNDTGTEEP-UHFFFAOYSA-N 1 0 246.398 3.708 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000337650787 183372969 /nfs/dbraw/zinc/37/29/69/183372969.db2.gz LASXTJONWMBXEF-AHLTXXRQSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000337650796 183373125 /nfs/dbraw/zinc/37/31/25/183373125.db2.gz LASXTJONWMBXEF-VZZFWQQMSA-N 1 0 247.407 3.904 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)o1 ZINC000337652747 178253538 /nfs/dbraw/zinc/25/35/38/178253538.db2.gz MCKYVIYDJQJCLK-MMMKDXCPSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)o1 ZINC000337652748 178252994 /nfs/dbraw/zinc/25/29/94/178252994.db2.gz MCKYVIYDJQJCLK-OBCWZRDOSA-N 1 0 233.355 3.736 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccncc1 ZINC000337991669 385870519 /nfs/dbraw/zinc/87/05/19/385870519.db2.gz ZPDNGDIEJDZMGW-HRCADAONSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccncc1 ZINC000337991671 385870327 /nfs/dbraw/zinc/87/03/27/385870327.db2.gz ZPDNGDIEJDZMGW-JYJNAYRXSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccncc1 ZINC000337991673 385870560 /nfs/dbraw/zinc/87/05/60/385870560.db2.gz ZPDNGDIEJDZMGW-OWCLPIDISA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccncc1 ZINC000337991675 171549445 /nfs/dbraw/zinc/54/94/45/171549445.db2.gz ZPDNGDIEJDZMGW-PMPSAXMXSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccc(O)c1 ZINC000337996467 385871774 /nfs/dbraw/zinc/87/17/74/385871774.db2.gz PIHSEADTPNYFDT-IUIKQTSFSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccc(O)c1 ZINC000337996469 176902631 /nfs/dbraw/zinc/90/26/31/176902631.db2.gz PIHSEADTPNYFDT-KNXALSJPSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1cccc(O)c1 ZINC000337996472 176927061 /nfs/dbraw/zinc/92/70/61/176927061.db2.gz PIHSEADTPNYFDT-UVBJJODRSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccc(O)c1 ZINC000337996475 176926997 /nfs/dbraw/zinc/92/69/97/176926997.db2.gz PIHSEADTPNYFDT-XZJROXQQSA-N 1 0 245.366 3.622 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338005092 183372922 /nfs/dbraw/zinc/37/29/22/183372922.db2.gz WBSYSKPVIQUHHM-AEGPPILISA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338005094 183372869 /nfs/dbraw/zinc/37/28/69/183372869.db2.gz WBSYSKPVIQUHHM-QEJZJMRPSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338005098 183373205 /nfs/dbraw/zinc/37/32/05/183373205.db2.gz WBSYSKPVIQUHHM-SNPRPXQTSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338005101 183373121 /nfs/dbraw/zinc/37/31/21/183373121.db2.gz WBSYSKPVIQUHHM-VHDGCEQUSA-N 1 0 245.366 3.825 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338005648 385877545 /nfs/dbraw/zinc/87/75/45/385877545.db2.gz XJZDOXDMQZDANC-CHWSQXEVSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338005649 385877992 /nfs/dbraw/zinc/87/79/92/385877992.db2.gz XJZDOXDMQZDANC-OLZOCXBDSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338005650 385877012 /nfs/dbraw/zinc/87/70/12/385877012.db2.gz XJZDOXDMQZDANC-QWHCGFSZSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338005651 180916991 /nfs/dbraw/zinc/91/69/91/180916991.db2.gz XJZDOXDMQZDANC-STQMWFEESA-N 1 0 243.341 3.733 20 0 BHADRO CCC1(C)CCC([NH2+]CCCOC(F)F)CC1 ZINC000338007096 385876969 /nfs/dbraw/zinc/87/69/69/385876969.db2.gz ISNFNSLAGDCKAH-UHFFFAOYSA-N 1 0 249.345 3.564 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CC[C@@H]1C1CCC1)CC2 ZINC000338010772 385879731 /nfs/dbraw/zinc/87/97/31/385879731.db2.gz CUIWTGIVDYAKTA-CABCVRRESA-N 1 0 233.399 3.878 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CC[C@H]1C1CCC1)CC2 ZINC000338010774 188187901 /nfs/dbraw/zinc/18/79/01/188187901.db2.gz CUIWTGIVDYAKTA-GJZGRUSLSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CC[C@@H]1C1CCC1)CC2 ZINC000338010776 385879721 /nfs/dbraw/zinc/87/97/21/385879721.db2.gz CUIWTGIVDYAKTA-HUUCEWRRSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CC[C@H]1C1CCC1)CC2 ZINC000338010778 385878926 /nfs/dbraw/zinc/87/89/26/385878926.db2.gz CUIWTGIVDYAKTA-LSDHHAIUSA-N 1 0 233.399 3.878 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338011942 385879360 /nfs/dbraw/zinc/87/93/60/385879360.db2.gz KHOLZNRYTBGRIZ-NEPJUHHUSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338011944 350660733 /nfs/dbraw/zinc/66/07/33/350660733.db2.gz KHOLZNRYTBGRIZ-NWDGAFQWSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338011946 350661007 /nfs/dbraw/zinc/66/10/07/350661007.db2.gz KHOLZNRYTBGRIZ-RYUDHWBXSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338011947 385879525 /nfs/dbraw/zinc/87/95/25/385879525.db2.gz KHOLZNRYTBGRIZ-VXGBXAGGSA-N 1 0 238.350 3.696 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000338016395 385873067 /nfs/dbraw/zinc/87/30/67/385873067.db2.gz KQANVJVWKGQFIW-GHMZBOCLSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000338016406 385873583 /nfs/dbraw/zinc/87/35/83/385873583.db2.gz KQANVJVWKGQFIW-MNOVXSKESA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000338016408 385874083 /nfs/dbraw/zinc/87/40/83/385874083.db2.gz KQANVJVWKGQFIW-QWRGUYRKSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000338017658 385873007 /nfs/dbraw/zinc/87/30/07/385873007.db2.gz KQANVJVWKGQFIW-WDEREUQCSA-N 1 0 249.320 3.540 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1ccncc1F ZINC000338019105 175861034 /nfs/dbraw/zinc/86/10/34/175861034.db2.gz OSLWUYPUSRJJTP-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1ccncc1F ZINC000338019108 385874885 /nfs/dbraw/zinc/87/48/85/385874885.db2.gz OSLWUYPUSRJJTP-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO COC[C@@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000338026109 385876606 /nfs/dbraw/zinc/87/66/06/385876606.db2.gz ZYAJVMSIMIJDCK-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC[C@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000338026111 385877417 /nfs/dbraw/zinc/87/74/17/385877417.db2.gz ZYAJVMSIMIJDCK-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338032535 385882709 /nfs/dbraw/zinc/88/27/09/385882709.db2.gz WMHXSWIADHCXEI-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccncc1F ZINC000338032536 385882811 /nfs/dbraw/zinc/88/28/11/385882811.db2.gz WMHXSWIADHCXEI-NWDGAFQWSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338032537 385882545 /nfs/dbraw/zinc/88/25/45/385882545.db2.gz WMHXSWIADHCXEI-RYUDHWBXSA-N 1 0 244.313 3.633 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccccc1 ZINC000338032905 385883298 /nfs/dbraw/zinc/88/32/98/385883298.db2.gz WMHXSWIADHCXEI-VXGBXAGGSA-N 1 0 244.313 3.633 20 0 BHADRO COCC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000338190215 174337727 /nfs/dbraw/zinc/33/77/27/174337727.db2.gz GZFKXCFXXBKGFN-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000338190216 174339954 /nfs/dbraw/zinc/33/99/54/174339954.db2.gz GZFKXCFXXBKGFN-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC[N@H+](Cc1csc2ccccc12)C1CC1 ZINC000338203254 350673038 /nfs/dbraw/zinc/67/30/38/350673038.db2.gz GNOLUYUYKIDTIK-UHFFFAOYSA-N 1 0 231.364 3.886 20 0 BHADRO C[N@@H+](Cc1ccoc1)C[C@@H]1CCCC(F)(F)C1 ZINC000338234784 385932056 /nfs/dbraw/zinc/93/20/56/385932056.db2.gz BDRZTGFBKQOYPC-LLVKDONJSA-N 1 0 243.297 3.537 20 0 BHADRO C[N@@H+](Cc1ccoc1)C[C@H]1CCCC(F)(F)C1 ZINC000338234788 385930345 /nfs/dbraw/zinc/93/03/45/385930345.db2.gz BDRZTGFBKQOYPC-NSHDSACASA-N 1 0 243.297 3.537 20 0 BHADRO Cc1cccc(C[N@@H+](C)CCSC(C)C)c1 ZINC000338236325 179067896 /nfs/dbraw/zinc/06/78/96/179067896.db2.gz ZNMJYURZQAZWCQ-UHFFFAOYSA-N 1 0 237.412 3.568 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCSC(C)C)cc1 ZINC000338236941 385931838 /nfs/dbraw/zinc/93/18/38/385931838.db2.gz PKINMHLMGWDKFJ-UHFFFAOYSA-N 1 0 237.412 3.568 20 0 BHADRO CC[N@H+](CCSC(C)C)Cc1ccccc1 ZINC000338262118 385943180 /nfs/dbraw/zinc/94/31/80/385943180.db2.gz FISADVMHHBCPFP-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO CC(C)SCC[N@H+](C)C1CCC(C)CC1 ZINC000338264355 168158175 /nfs/dbraw/zinc/15/81/75/168158175.db2.gz MTTVCGHRWIEHLC-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO FC1(F)CCC[C@@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000338270552 385935230 /nfs/dbraw/zinc/93/52/30/385935230.db2.gz IBZOKKPEQUMGQB-GFCCVEGCSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CCC[C@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000338270553 385936091 /nfs/dbraw/zinc/93/60/91/385936091.db2.gz IBZOKKPEQUMGQB-LBPRGKRZSA-N 1 0 243.341 3.688 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000338276304 167326896 /nfs/dbraw/zinc/32/68/96/167326896.db2.gz CUEMBYLJUKNVTG-CYBMUJFWSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000338276310 167325133 /nfs/dbraw/zinc/32/51/33/167325133.db2.gz CUEMBYLJUKNVTG-ZDUSSCGKSA-N 1 0 241.444 3.640 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)CCSC(C)C ZINC000338282046 385947971 /nfs/dbraw/zinc/94/79/71/385947971.db2.gz PTBUYBJMUYLBPL-GFCCVEGCSA-N 1 0 249.489 3.592 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)CCSC(C)C ZINC000338282100 170642991 /nfs/dbraw/zinc/64/29/91/170642991.db2.gz PTBUYBJMUYLBPL-LBPRGKRZSA-N 1 0 249.489 3.592 20 0 BHADRO FC1(F)CCC[C@@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000338284242 385948491 /nfs/dbraw/zinc/94/84/91/385948491.db2.gz QLMMGEHOIJZCJN-GFCCVEGCSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CCC[C@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000338284244 385947877 /nfs/dbraw/zinc/94/78/77/385947877.db2.gz QLMMGEHOIJZCJN-LBPRGKRZSA-N 1 0 243.341 3.688 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338295873 167325619 /nfs/dbraw/zinc/32/56/19/167325619.db2.gz JDIDUZXCFMSGJZ-KBPBESRZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338295874 167325423 /nfs/dbraw/zinc/32/54/23/167325423.db2.gz JDIDUZXCFMSGJZ-KGLIPLIRSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338295875 167326876 /nfs/dbraw/zinc/32/68/76/167326876.db2.gz JDIDUZXCFMSGJZ-UONOGXRCSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)SCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338295876 167324991 /nfs/dbraw/zinc/32/49/91/167324991.db2.gz JDIDUZXCFMSGJZ-ZIAGYGMSSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)SCC[NH+]1CCC2(CCCC2)CC1 ZINC000338309553 167324694 /nfs/dbraw/zinc/32/46/94/167324694.db2.gz VRUQMVAYXGZXJF-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CC(C)SCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000338315530 167328709 /nfs/dbraw/zinc/32/87/09/167328709.db2.gz LBDGZCVKXUGIIB-CYBMUJFWSA-N 1 0 249.423 3.575 20 0 BHADRO CC(C)SCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000338315542 167328823 /nfs/dbraw/zinc/32/88/23/167328823.db2.gz LBDGZCVKXUGIIB-ZDUSSCGKSA-N 1 0 249.423 3.575 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338337759 385970778 /nfs/dbraw/zinc/97/07/78/385970778.db2.gz BQNMJVYLIDPUCP-GFCCVEGCSA-N 1 0 237.318 3.507 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338337761 385969606 /nfs/dbraw/zinc/96/96/06/385969606.db2.gz BQNMJVYLIDPUCP-LBPRGKRZSA-N 1 0 237.318 3.507 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CCC2CC2)CC1 ZINC000338339605 168088669 /nfs/dbraw/zinc/08/86/69/168088669.db2.gz CODBGSKEQCVTNA-UHFFFAOYSA-N 1 0 231.339 3.559 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nccs1 ZINC000338340305 385970770 /nfs/dbraw/zinc/97/07/70/385970770.db2.gz ABVWBMPFHIUJAJ-LLVKDONJSA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nccs1 ZINC000338340306 385971430 /nfs/dbraw/zinc/97/14/30/385971430.db2.gz ABVWBMPFHIUJAJ-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCc1ccncc1 ZINC000338341245 385971688 /nfs/dbraw/zinc/97/16/88/385971688.db2.gz FZOBBHHRPIHQLM-AWEZNQCLSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCc1ccncc1 ZINC000338341246 385969816 /nfs/dbraw/zinc/96/98/16/385969816.db2.gz FZOBBHHRPIHQLM-CQSZACIVSA-N 1 0 246.398 3.525 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC2CCC2)CC1 ZINC000338343757 168088253 /nfs/dbraw/zinc/08/82/53/168088253.db2.gz VILJDAHFKHCJFW-UHFFFAOYSA-N 1 0 231.339 3.559 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)C2CCCCC2)n1 ZINC000338345060 179070240 /nfs/dbraw/zinc/07/02/40/179070240.db2.gz QJQQHTHQNRJLKT-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)C2CCCCC2)n1 ZINC000338345062 179070123 /nfs/dbraw/zinc/07/01/23/179070123.db2.gz QJQQHTHQNRJLKT-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000338363425 385986888 /nfs/dbraw/zinc/98/68/88/385986888.db2.gz GYXJNASTRHDNHA-GHMZBOCLSA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000338363428 385987117 /nfs/dbraw/zinc/98/71/17/385987117.db2.gz GYXJNASTRHDNHA-MNOVXSKESA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000338363429 385988604 /nfs/dbraw/zinc/98/86/04/385988604.db2.gz GYXJNASTRHDNHA-QWRGUYRKSA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000338363431 385987909 /nfs/dbraw/zinc/98/79/09/385987909.db2.gz GYXJNASTRHDNHA-WDEREUQCSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1ccncc1F ZINC000338374232 188017511 /nfs/dbraw/zinc/01/75/11/188017511.db2.gz UGPDZSKBPKAGGD-NEPJUHHUSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)c1ccncc1F ZINC000338374234 385984468 /nfs/dbraw/zinc/98/44/68/385984468.db2.gz UGPDZSKBPKAGGD-NWDGAFQWSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1ccncc1F ZINC000338374235 188366805 /nfs/dbraw/zinc/36/68/05/188366805.db2.gz UGPDZSKBPKAGGD-RYUDHWBXSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1ccncc1F ZINC000338374236 188016779 /nfs/dbraw/zinc/01/67/79/188016779.db2.gz UGPDZSKBPKAGGD-VXGBXAGGSA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccncc1F ZINC000338375172 385983524 /nfs/dbraw/zinc/98/35/24/385983524.db2.gz VFPXPNSKTZYZHI-LLVKDONJSA-N 1 0 238.350 3.698 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccncc1F ZINC000338375173 385983126 /nfs/dbraw/zinc/98/31/26/385983126.db2.gz VFPXPNSKTZYZHI-NSHDSACASA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338375944 385984309 /nfs/dbraw/zinc/98/43/09/385984309.db2.gz XFCCEWWQUVDPPD-GFCCVEGCSA-N 1 0 219.328 3.557 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338375945 171317592 /nfs/dbraw/zinc/31/75/92/171317592.db2.gz XFCCEWWQUVDPPD-LBPRGKRZSA-N 1 0 219.328 3.557 20 0 BHADRO CC(C)SCC[N@H+](CC1CCC1)C(C)C ZINC000338376941 167322513 /nfs/dbraw/zinc/32/25/13/167322513.db2.gz SEWDRAYYUNAQJN-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000338382628 167324299 /nfs/dbraw/zinc/32/42/99/167324299.db2.gz XQJTVZIDYBGFKA-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000338385732 167323165 /nfs/dbraw/zinc/32/31/65/167323165.db2.gz PSFMNZRHCINNHU-GFCCVEGCSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000338385737 167323812 /nfs/dbraw/zinc/32/38/12/167323812.db2.gz PSFMNZRHCINNHU-LBPRGKRZSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)C[N@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000338387554 350681758 /nfs/dbraw/zinc/68/17/58/350681758.db2.gz OVJNGXBNBJYFCV-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC000338391779 350682347 /nfs/dbraw/zinc/68/23/47/350682347.db2.gz LBAOYCKYJOJBDO-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000338393083 350682661 /nfs/dbraw/zinc/68/26/61/350682661.db2.gz LRKMGQBHPAWDIP-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO COc1ccc(C[N@H+](C)C2CCC(C)CC2)cc1 ZINC000338394364 175094768 /nfs/dbraw/zinc/09/47/68/175094768.db2.gz MJBIDJVECSCYCN-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)CCCNc1cccc(C[NH+](C)C)c1 ZINC000338423266 388475082 /nfs/dbraw/zinc/47/50/82/388475082.db2.gz JVRWUALIUHJYMS-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO CC1(C)SC[C@H]1Nc1ccc2ccccc2n1 ZINC000338423946 187242652 /nfs/dbraw/zinc/24/26/52/187242652.db2.gz USSREXKFPVGZNZ-GFCCVEGCSA-N 1 0 244.363 3.541 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000338433754 166816847 /nfs/dbraw/zinc/81/68/47/166816847.db2.gz AHTDAMVBCOYMQH-HNNXBMFYSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000338433755 166816032 /nfs/dbraw/zinc/81/60/32/166816032.db2.gz AHTDAMVBCOYMQH-OAHLLOKOSA-N 1 0 247.382 3.795 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CCCC(C)C)cn1 ZINC000338434632 323104917 /nfs/dbraw/zinc/10/49/17/323104917.db2.gz GOILQLNGJMPWLD-UHFFFAOYSA-N 1 0 234.387 3.651 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000338437474 386002778 /nfs/dbraw/zinc/00/27/78/386002778.db2.gz SCSYQTYGPKCSSI-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000338437476 166814470 /nfs/dbraw/zinc/81/44/70/166814470.db2.gz SCSYQTYGPKCSSI-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO COCCC1(C[NH2+]CCCC(C)C)CCCC1 ZINC000338444081 174154074 /nfs/dbraw/zinc/15/40/74/174154074.db2.gz HCNDPQHALGXZDC-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)C)c1c(C)noc1C ZINC000338444155 386011122 /nfs/dbraw/zinc/01/11/22/386011122.db2.gz LQOJWMYWBSQODZ-CYBMUJFWSA-N 1 0 238.375 3.768 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)C)c1c(C)noc1C ZINC000338444157 386010752 /nfs/dbraw/zinc/01/07/52/386010752.db2.gz LQOJWMYWBSQODZ-ZDUSSCGKSA-N 1 0 238.375 3.768 20 0 BHADRO COC1CCC(CC[NH2+]CCCC(C)C)CC1 ZINC000338447018 174019564 /nfs/dbraw/zinc/01/95/64/174019564.db2.gz PQCSYSPZVYXCHS-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000338453132 386007995 /nfs/dbraw/zinc/00/79/95/386007995.db2.gz HTQHNPDPVJHQOC-INIZCTEOSA-N 1 0 248.414 3.847 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000338453133 386009769 /nfs/dbraw/zinc/00/97/69/386009769.db2.gz HTQHNPDPVJHQOC-MRXNPFEDSA-N 1 0 248.414 3.847 20 0 BHADRO CCOCCC1(C[NH2+]CCCC(C)C)CCC1 ZINC000338454188 188189734 /nfs/dbraw/zinc/18/97/34/188189734.db2.gz HRNQASXRYJOXKO-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000338456791 386008634 /nfs/dbraw/zinc/00/86/34/386008634.db2.gz MDJHHJCNJQGHJA-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000338456801 386007717 /nfs/dbraw/zinc/00/77/17/386007717.db2.gz MDJHHJCNJQGHJA-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO COC1CCC(C)(C[NH2+]CCCC(C)C)CC1 ZINC000338461250 174020124 /nfs/dbraw/zinc/02/01/24/174020124.db2.gz YQTJQGUIZITGKM-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[NH2+]CCCNc1ccccc1 ZINC000338461744 166813247 /nfs/dbraw/zinc/81/32/47/166813247.db2.gz PWYPDWZUVJATLD-UHFFFAOYSA-N 1 0 234.387 3.514 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+]CCCC(C)C ZINC000338462104 179221639 /nfs/dbraw/zinc/22/16/39/179221639.db2.gz RMELJFXJGHHLCW-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+]CCCC(C)C ZINC000338462105 179221577 /nfs/dbraw/zinc/22/15/77/179221577.db2.gz RMELJFXJGHHLCW-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO CSCCC[N@H+](C)Cc1sccc1Cl ZINC000338540826 386048200 /nfs/dbraw/zinc/04/82/00/386048200.db2.gz QXMWRIVZMWBYKB-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCCC12CCC2 ZINC000338542828 386035632 /nfs/dbraw/zinc/03/56/32/386035632.db2.gz GCAQZQYIUMXFNG-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CC1=CCC[N@H+](Cc2sccc2Cl)C1 ZINC000338543129 168100646 /nfs/dbraw/zinc/10/06/46/168100646.db2.gz XQFJQAWWWDJTGI-UHFFFAOYSA-N 1 0 227.760 3.554 20 0 BHADRO CCC[N@H+](Cc1sccc1Cl)C1CC1 ZINC000338546313 169181814 /nfs/dbraw/zinc/18/18/14/169181814.db2.gz FOBVGNLSLKDVMX-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2sccc2Cl)[C@H]1C ZINC000338546351 386038204 /nfs/dbraw/zinc/03/82/04/386038204.db2.gz GHKSXNHLRHMBCT-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1sccc1Cl ZINC000338546352 177169226 /nfs/dbraw/zinc/16/92/26/177169226.db2.gz GHKSXNHLRHMBCT-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[N@H+](Cc2sccc2Cl)[C@H]1C ZINC000338546353 177169088 /nfs/dbraw/zinc/16/90/88/177169088.db2.gz GHKSXNHLRHMBCT-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2sccc2Cl)[C@@H]1C ZINC000338546354 176179023 /nfs/dbraw/zinc/17/90/23/176179023.db2.gz GHKSXNHLRHMBCT-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO CO[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000338546627 386038988 /nfs/dbraw/zinc/03/89/88/386038988.db2.gz OCAXXHILNLPCEZ-IIAWOOMASA-N 1 0 247.382 3.637 20 0 BHADRO CO[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000338546628 386039285 /nfs/dbraw/zinc/03/92/85/386039285.db2.gz OCAXXHILNLPCEZ-IJEWVQPXSA-N 1 0 247.382 3.637 20 0 BHADRO CO[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000338546629 386036897 /nfs/dbraw/zinc/03/68/97/386036897.db2.gz OCAXXHILNLPCEZ-LZWOXQAQSA-N 1 0 247.382 3.637 20 0 BHADRO CO[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000338546630 174861509 /nfs/dbraw/zinc/86/15/09/174861509.db2.gz OCAXXHILNLPCEZ-OFQRWUPVSA-N 1 0 247.382 3.637 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCC12CCC2 ZINC000338547172 386042392 /nfs/dbraw/zinc/04/23/92/386042392.db2.gz MFPBYFMUFBSBIT-UHFFFAOYSA-N 1 0 227.760 3.530 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1sccc1Cl ZINC000338548699 350694988 /nfs/dbraw/zinc/69/49/88/350694988.db2.gz WXRPMRJTUWLEFR-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1sccc1Cl ZINC000338548800 177187031 /nfs/dbraw/zinc/18/70/31/177187031.db2.gz YKPXZVQOASFEIK-DTORHVGOSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1sccc1Cl ZINC000338548801 177199816 /nfs/dbraw/zinc/19/98/16/177199816.db2.gz YKPXZVQOASFEIK-IUCAKERBSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1sccc1Cl ZINC000338548802 176199990 /nfs/dbraw/zinc/19/99/90/176199990.db2.gz YKPXZVQOASFEIK-RKDXNWHRSA-N 1 0 229.776 3.774 20 0 BHADRO CC[N@H+](Cc1sccc1Cl)C1CCC1 ZINC000338549305 350694717 /nfs/dbraw/zinc/69/47/17/350694717.db2.gz QDTBFQRGUPBGOX-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CO[C@@H](C[N@H+](C(C)C)C1CCC1)c1ccccc1 ZINC000338567351 386054659 /nfs/dbraw/zinc/05/46/59/386054659.db2.gz MNUCFLIROLTUSB-INIZCTEOSA-N 1 0 247.382 3.637 20 0 BHADRO CO[C@H](C[N@H+](C(C)C)C1CCC1)c1ccccc1 ZINC000338567352 386052783 /nfs/dbraw/zinc/05/27/83/386052783.db2.gz MNUCFLIROLTUSB-MRXNPFEDSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338686059 386102389 /nfs/dbraw/zinc/10/23/89/386102389.db2.gz CHAYJPUCRKXMGF-APHBMKBZSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@H]1C[C@H]1c1ccccc1 ZINC000338686060 386102414 /nfs/dbraw/zinc/10/24/14/386102414.db2.gz CHAYJPUCRKXMGF-MAZHCROVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338686061 386101669 /nfs/dbraw/zinc/10/16/69/386101669.db2.gz CHAYJPUCRKXMGF-VBNZEHGJSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338692163 386106873 /nfs/dbraw/zinc/10/68/73/386106873.db2.gz IOHQUWKFYIVMFV-APHBMKBZSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@H]1C[C@H]1c1ccccc1 ZINC000338692166 386107057 /nfs/dbraw/zinc/10/70/57/386107057.db2.gz IOHQUWKFYIVMFV-MAZHCROVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338692169 176880757 /nfs/dbraw/zinc/88/07/57/176880757.db2.gz IOHQUWKFYIVMFV-VBNZEHGJSA-N 1 0 241.334 3.561 20 0 BHADRO c1cncc(C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000338725200 386123152 /nfs/dbraw/zinc/12/31/52/386123152.db2.gz RVROLVJLZLXTNA-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO Cc1cc(C[NH+]2CCC3(CCCCC3)CC2)on1 ZINC000338729181 386123593 /nfs/dbraw/zinc/12/35/93/386123593.db2.gz UDIWRZNKZKBAAP-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO C[C@@H](F)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000338748930 386125579 /nfs/dbraw/zinc/12/55/79/386125579.db2.gz DKJZFJMFUAMLPH-SECBINFHSA-N 1 0 236.265 3.534 20 0 BHADRO C[C@H](F)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000338748931 386126074 /nfs/dbraw/zinc/12/60/74/386126074.db2.gz DKJZFJMFUAMLPH-VIFPVBQESA-N 1 0 236.265 3.534 20 0 BHADRO FC(F)C1(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338775025 180899298 /nfs/dbraw/zinc/89/92/98/180899298.db2.gz WCXVAXTWMXFIGW-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338777652 386129814 /nfs/dbraw/zinc/12/98/14/386129814.db2.gz ATRPZFVAPLSAJX-BPLDGKMQSA-N 1 0 249.423 3.521 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338777654 386129117 /nfs/dbraw/zinc/12/91/17/386129117.db2.gz ATRPZFVAPLSAJX-VHDGCEQUSA-N 1 0 249.423 3.521 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338777655 386130782 /nfs/dbraw/zinc/13/07/82/386130782.db2.gz ATRPZFVAPLSAJX-YUELXQCFSA-N 1 0 249.423 3.521 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000338781142 388477422 /nfs/dbraw/zinc/47/74/22/388477422.db2.gz PEZUYKIZWNXGHA-KBPBESRZSA-N 1 0 247.407 3.548 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000338781144 388477399 /nfs/dbraw/zinc/47/73/99/388477399.db2.gz PEZUYKIZWNXGHA-KGLIPLIRSA-N 1 0 247.407 3.548 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000338781147 388476763 /nfs/dbraw/zinc/47/67/63/388476763.db2.gz PEZUYKIZWNXGHA-UONOGXRCSA-N 1 0 247.407 3.548 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000338781149 388477225 /nfs/dbraw/zinc/47/72/25/388477225.db2.gz PEZUYKIZWNXGHA-ZIAGYGMSSA-N 1 0 247.407 3.548 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338782008 386138768 /nfs/dbraw/zinc/13/87/68/386138768.db2.gz DBTNGFQUZLZZFC-CTHBEMJXSA-N 1 0 249.423 3.520 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338782009 386139202 /nfs/dbraw/zinc/13/92/02/386139202.db2.gz DBTNGFQUZLZZFC-MXYBEHONSA-N 1 0 249.423 3.520 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338782010 386139214 /nfs/dbraw/zinc/13/92/14/386139214.db2.gz DBTNGFQUZLZZFC-MYZSUADSSA-N 1 0 249.423 3.520 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338792663 386143248 /nfs/dbraw/zinc/14/32/48/386143248.db2.gz UMLZZCSYITXXEH-AEGPPILISA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338792664 176835383 /nfs/dbraw/zinc/83/53/83/176835383.db2.gz UMLZZCSYITXXEH-CFVMTHIKSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338792665 386141784 /nfs/dbraw/zinc/14/17/84/386141784.db2.gz UMLZZCSYITXXEH-NWANDNLSSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338792666 386142986 /nfs/dbraw/zinc/14/29/86/386142986.db2.gz UMLZZCSYITXXEH-QEJZJMRPSA-N 1 0 229.367 3.568 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](CCC(C)C)C2CC2)c1 ZINC000338797910 386137273 /nfs/dbraw/zinc/13/72/73/386137273.db2.gz ZHNTVCNERMIALN-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H](CCC(C)C)C2CC2)c1 ZINC000338797911 386137243 /nfs/dbraw/zinc/13/72/43/386137243.db2.gz ZHNTVCNERMIALN-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000338883961 386173696 /nfs/dbraw/zinc/17/36/96/386173696.db2.gz NABYFPNONKHESU-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000338883962 386175052 /nfs/dbraw/zinc/17/50/52/386175052.db2.gz NABYFPNONKHESU-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000338883963 386173456 /nfs/dbraw/zinc/17/34/56/386173456.db2.gz NABYFPNONKHESU-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000338883965 386174080 /nfs/dbraw/zinc/17/40/80/386174080.db2.gz NABYFPNONKHESU-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000338885910 386174346 /nfs/dbraw/zinc/17/43/46/386174346.db2.gz WXPNSLRTRCGELK-UHFFFAOYSA-N 1 0 234.387 3.745 20 0 BHADRO COC1(CC[N@H+](C)[C@@H](C)c2ccccc2)CCC1 ZINC000338890646 386169642 /nfs/dbraw/zinc/16/96/42/386169642.db2.gz VQXNIRRHQSJEEK-AWEZNQCLSA-N 1 0 247.382 3.639 20 0 BHADRO COC1(CC[N@H+](C)[C@H](C)c2ccccc2)CCC1 ZINC000338890647 386168264 /nfs/dbraw/zinc/16/82/64/386168264.db2.gz VQXNIRRHQSJEEK-CQSZACIVSA-N 1 0 247.382 3.639 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCC(C)CC2)nc1 ZINC000338890914 386169634 /nfs/dbraw/zinc/16/96/34/386169634.db2.gz XAMVPLGXQBMKPP-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)C1CCCC1 ZINC000338891713 179895957 /nfs/dbraw/zinc/89/59/57/179895957.db2.gz IDBPYQLHBYVOMW-UHFFFAOYSA-N 1 0 246.398 3.888 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(COC)cc1 ZINC000338895561 386170126 /nfs/dbraw/zinc/17/01/26/386170126.db2.gz OUIUFAKEFINZFB-INIZCTEOSA-N 1 0 247.382 3.598 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(COC)cc1 ZINC000338895562 350718404 /nfs/dbraw/zinc/71/84/04/350718404.db2.gz 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/nfs/dbraw/zinc/19/81/12/386198112.db2.gz NHMSDTXMEJMERX-AWEZNQCLSA-N 1 0 247.382 3.598 20 0 BHADRO COCc1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1 ZINC000338998523 386196961 /nfs/dbraw/zinc/19/69/61/386196961.db2.gz NHMSDTXMEJMERX-CQSZACIVSA-N 1 0 247.382 3.598 20 0 BHADRO CC[N@H+](Cc1ccc(C(C)C)nc1C)C1CCC1 ZINC000339000626 350725648 /nfs/dbraw/zinc/72/56/48/350725648.db2.gz BQFMVCBUHIWTPS-UHFFFAOYSA-N 1 0 246.398 3.888 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)on1 ZINC000339004602 386201026 /nfs/dbraw/zinc/20/10/26/386201026.db2.gz AOIWPHDGIXJVDA-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)on1 ZINC000339004605 386200501 /nfs/dbraw/zinc/20/05/01/386200501.db2.gz AOIWPHDGIXJVDA-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC(C)(C)CC2)nc1 ZINC000339004760 386201137 /nfs/dbraw/zinc/20/11/37/386201137.db2.gz FODXNFVBQGUYRR-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)nc1 ZINC000339005082 386200304 /nfs/dbraw/zinc/20/03/04/386200304.db2.gz IHGOOBIRUAYSJC-KBPBESRZSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)nc1 ZINC000339005083 386201855 /nfs/dbraw/zinc/20/18/55/386201855.db2.gz IHGOOBIRUAYSJC-KGLIPLIRSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)nc1 ZINC000339005084 386200849 /nfs/dbraw/zinc/20/08/49/386200849.db2.gz IHGOOBIRUAYSJC-UONOGXRCSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)nc1 ZINC000339005085 386200111 /nfs/dbraw/zinc/20/01/11/386200111.db2.gz IHGOOBIRUAYSJC-ZIAGYGMSSA-N 1 0 246.398 3.655 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000339005102 350725673 /nfs/dbraw/zinc/72/56/73/350725673.db2.gz JXUNYBQUUXOOEU-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@H+](C)C1CCC1 ZINC000339006028 350725634 /nfs/dbraw/zinc/72/56/34/350725634.db2.gz OELDIZKFXQOQCC-UHFFFAOYSA-N 1 0 246.398 3.752 20 0 BHADRO Cc1ccc(C[N@@H+](CCC(C)C)C2CC2)o1 ZINC000339006850 386204853 /nfs/dbraw/zinc/20/48/53/386204853.db2.gz FMDHOLXUDHRKMH-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO COC1(CC[N@@H+]2Cc3ccccc3[C@H]2C)CCC1 ZINC000339009799 386210903 /nfs/dbraw/zinc/21/09/03/386210903.db2.gz KDUXGWPTNSVOFZ-CYBMUJFWSA-N 1 0 245.366 3.522 20 0 BHADRO COC1(CC[N@@H+]2Cc3ccccc3[C@@H]2C)CCC1 ZINC000339009801 386210796 /nfs/dbraw/zinc/21/07/96/386210796.db2.gz KDUXGWPTNSVOFZ-ZDUSSCGKSA-N 1 0 245.366 3.522 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]1C ZINC000339010081 350727188 /nfs/dbraw/zinc/72/71/88/350727188.db2.gz ILHTXOBXJHIDNW-CYBMUJFWSA-N 1 0 246.398 3.752 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]1C ZINC000339010084 350727277 /nfs/dbraw/zinc/72/72/77/350727277.db2.gz ILHTXOBXJHIDNW-ZDUSSCGKSA-N 1 0 246.398 3.752 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000339010718 386209733 /nfs/dbraw/zinc/20/97/33/386209733.db2.gz JVDMHKBPBUBLSB-BETUJISGSA-N 1 0 246.398 3.601 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000339010722 179895055 /nfs/dbraw/zinc/89/50/55/179895055.db2.gz JVDMHKBPBUBLSB-CHWSQXEVSA-N 1 0 246.398 3.601 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000339010726 386208871 /nfs/dbraw/zinc/20/88/71/386208871.db2.gz JVDMHKBPBUBLSB-STQMWFEESA-N 1 0 246.398 3.601 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@](C)(CC)C2)nc1 ZINC000339010857 386209321 /nfs/dbraw/zinc/20/93/21/386209321.db2.gz XIJDRXMNQMQFSH-INIZCTEOSA-N 1 0 246.398 3.656 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@](C)(CC)C2)nc1 ZINC000339010859 386209046 /nfs/dbraw/zinc/20/90/46/386209046.db2.gz XIJDRXMNQMQFSH-MRXNPFEDSA-N 1 0 246.398 3.656 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000339010952 386208639 /nfs/dbraw/zinc/20/86/39/386208639.db2.gz NNTMTQQKPFMMJB-GXTWGEPZSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000339010954 386210567 /nfs/dbraw/zinc/21/05/67/386210567.db2.gz NNTMTQQKPFMMJB-JSGCOSHPSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000339010956 386209556 /nfs/dbraw/zinc/20/95/56/386209556.db2.gz NNTMTQQKPFMMJB-OCCSQVGLSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000339010957 386209441 /nfs/dbraw/zinc/20/94/41/386209441.db2.gz NNTMTQQKPFMMJB-TZMCWYRMSA-N 1 0 246.398 3.744 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C[C@H](C)CC)nc1 ZINC000339011878 386208766 /nfs/dbraw/zinc/20/87/66/386208766.db2.gz VRUIWJJRNVZXDF-CYBMUJFWSA-N 1 0 234.387 3.512 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C[C@@H](C)CC)nc1 ZINC000339011879 386210125 /nfs/dbraw/zinc/21/01/25/386210125.db2.gz VRUIWJJRNVZXDF-ZDUSSCGKSA-N 1 0 234.387 3.512 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CCC12CCC2 ZINC000339013621 386212974 /nfs/dbraw/zinc/21/29/74/386212974.db2.gz OECHPFXWEKOFMX-UHFFFAOYSA-N 1 0 244.382 3.642 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC(CC)(CC)C2)nc1 ZINC000339014506 386213104 /nfs/dbraw/zinc/21/31/04/386213104.db2.gz PGGGYCBKRZPYJS-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1CCC(C)(C)C1 ZINC000339016231 386211746 /nfs/dbraw/zinc/21/17/46/386211746.db2.gz ZZDMOCXQMSQNBK-UHFFFAOYSA-N 1 0 246.398 3.745 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339017598 386212085 /nfs/dbraw/zinc/21/20/85/386212085.db2.gz QMIYXIFSJSFUPI-AWEZNQCLSA-N 1 0 246.398 3.745 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339017599 171011007 /nfs/dbraw/zinc/01/10/07/171011007.db2.gz QMIYXIFSJSFUPI-CQSZACIVSA-N 1 0 246.398 3.745 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000339017956 386212783 /nfs/dbraw/zinc/21/27/83/386212783.db2.gz PYAXTNLRFNLFNL-BETUJISGSA-N 1 0 246.398 3.886 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000339017957 386211827 /nfs/dbraw/zinc/21/18/27/386211827.db2.gz PYAXTNLRFNLFNL-CHWSQXEVSA-N 1 0 246.398 3.886 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000339017958 386213486 /nfs/dbraw/zinc/21/34/86/386213486.db2.gz PYAXTNLRFNLFNL-STQMWFEESA-N 1 0 246.398 3.886 20 0 BHADRO CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000339029333 168823350 /nfs/dbraw/zinc/82/33/50/168823350.db2.gz NIKRKTRANCCXND-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO CC[N@H+](Cc1cc(Cl)ccc1OC)C(C)C ZINC000339031295 350728331 /nfs/dbraw/zinc/72/83/31/350728331.db2.gz DSHAJJVTKGNNBB-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO COC1(CC[N@H+](C(C)C)C2CCCC2)CCC1 ZINC000339031361 386218109 /nfs/dbraw/zinc/21/81/09/386218109.db2.gz GORJAHZVBAFQGM-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000339031660 386216876 /nfs/dbraw/zinc/21/68/76/386216876.db2.gz PNBUXSQNQDRQKL-GFCCVEGCSA-N 1 0 234.387 3.744 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000339031662 171308552 /nfs/dbraw/zinc/30/85/52/171308552.db2.gz PNBUXSQNQDRQKL-LBPRGKRZSA-N 1 0 234.387 3.744 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H]2C=CCCCCC2)n1 ZINC000339038282 179068519 /nfs/dbraw/zinc/06/85/19/179068519.db2.gz HKCNKASCVPVMJX-INIZCTEOSA-N 1 0 244.382 3.711 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H]2C=CCCCCC2)n1 ZINC000339038283 179070563 /nfs/dbraw/zinc/07/05/63/179070563.db2.gz HKCNKASCVPVMJX-MRXNPFEDSA-N 1 0 244.382 3.711 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)CCC1CC1 ZINC000339044175 386219231 /nfs/dbraw/zinc/21/92/31/386219231.db2.gz LASCCYDAJZELDL-UHFFFAOYSA-N 1 0 246.398 3.745 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)nc1 ZINC000339051007 386225513 /nfs/dbraw/zinc/22/55/13/386225513.db2.gz PZPGUFZZQQMHIS-KBPBESRZSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)nc1 ZINC000339051008 386223859 /nfs/dbraw/zinc/22/38/59/386223859.db2.gz PZPGUFZZQQMHIS-KGLIPLIRSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)nc1 ZINC000339051009 386225425 /nfs/dbraw/zinc/22/54/25/386225425.db2.gz PZPGUFZZQQMHIS-UONOGXRCSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)nc1 ZINC000339051010 386225721 /nfs/dbraw/zinc/22/57/21/386225721.db2.gz PZPGUFZZQQMHIS-ZIAGYGMSSA-N 1 0 246.398 3.512 20 0 BHADRO CC1=CC[N@H+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000339058369 168116305 /nfs/dbraw/zinc/11/63/05/168116305.db2.gz ZZKAYDDBSDEIMG-UHFFFAOYSA-N 1 0 244.382 3.665 20 0 BHADRO CC[N@H+](Cc1ccncc1)[C@H]1C=CCCCCC1 ZINC000339059915 350730649 /nfs/dbraw/zinc/73/06/49/350730649.db2.gz BXQJTTWZEFETBR-INIZCTEOSA-N 1 0 244.382 3.792 20 0 BHADRO CC[N@H+](Cc1ccncc1)[C@@H]1C=CCCCCC1 ZINC000339059916 350730300 /nfs/dbraw/zinc/73/03/00/350730300.db2.gz BXQJTTWZEFETBR-MRXNPFEDSA-N 1 0 244.382 3.792 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(COC)cc1 ZINC000339062481 386230642 /nfs/dbraw/zinc/23/06/42/386230642.db2.gz FJHXJQDYXJTMFV-BBRMVZONSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(COC)cc1 ZINC000339062482 386230651 /nfs/dbraw/zinc/23/06/51/386230651.db2.gz FJHXJQDYXJTMFV-CJNGLKHVSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(COC)cc1 ZINC000339062483 171037352 /nfs/dbraw/zinc/03/73/52/171037352.db2.gz FJHXJQDYXJTMFV-CZUORRHYSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(COC)cc1 ZINC000339062484 171055001 /nfs/dbraw/zinc/05/50/01/171055001.db2.gz FJHXJQDYXJTMFV-XJKSGUPXSA-N 1 0 247.382 3.596 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC1)CCC2 ZINC000339066641 386233643 /nfs/dbraw/zinc/23/36/43/386233643.db2.gz HEZCLXJAVZFKKG-BLLLJJGKSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC1)CCC2 ZINC000339066642 386232495 /nfs/dbraw/zinc/23/24/95/386232495.db2.gz HEZCLXJAVZFKKG-LRDDRELGSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC1)CCC2 ZINC000339066643 386231615 /nfs/dbraw/zinc/23/16/15/386231615.db2.gz HEZCLXJAVZFKKG-MLGOLLRUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC1)CCC2 ZINC000339066644 386233266 /nfs/dbraw/zinc/23/32/66/386233266.db2.gz HEZCLXJAVZFKKG-WBMJQRKESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)CCC2 ZINC000339068800 386233193 /nfs/dbraw/zinc/23/31/93/386233193.db2.gz QJIKACYAFILIJS-DUVNUKRYSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H]1C)CCC2 ZINC000339068801 386232255 /nfs/dbraw/zinc/23/22/55/386232255.db2.gz QJIKACYAFILIJS-IVMMDQJWSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]1C)CCC2 ZINC000339068802 386232836 /nfs/dbraw/zinc/23/28/36/386232836.db2.gz QJIKACYAFILIJS-JGGQBBKZSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]1C)CCC2 ZINC000339068803 386233786 /nfs/dbraw/zinc/23/37/86/386233786.db2.gz QJIKACYAFILIJS-XNRPHZJLSA-N 1 0 229.367 3.618 20 0 BHADRO CSCCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000339075580 386238395 /nfs/dbraw/zinc/23/83/95/386238395.db2.gz PMFUMSRMNPGWOY-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CSCCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000339075581 386238711 /nfs/dbraw/zinc/23/87/11/386238711.db2.gz PMFUMSRMNPGWOY-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000339076629 386238147 /nfs/dbraw/zinc/23/81/47/386238147.db2.gz VWLHQGGDVLMTCJ-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000339076630 386238582 /nfs/dbraw/zinc/23/85/82/386238582.db2.gz VWLHQGGDVLMTCJ-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000339076631 386238120 /nfs/dbraw/zinc/23/81/20/386238120.db2.gz VWLHQGGDVLMTCJ-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000339076632 386238974 /nfs/dbraw/zinc/23/89/74/386238974.db2.gz VWLHQGGDVLMTCJ-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000339089939 169176277 /nfs/dbraw/zinc/17/62/77/169176277.db2.gz DYSQFFSIOBBQAJ-BXUZGUMPSA-N 1 0 233.355 3.777 20 0 BHADRO CCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000339089942 169175526 /nfs/dbraw/zinc/17/55/26/169175526.db2.gz DYSQFFSIOBBQAJ-RISCZKNCSA-N 1 0 233.355 3.777 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000339116528 176229054 /nfs/dbraw/zinc/22/90/54/176229054.db2.gz OIHAWUPKBBMICJ-DOMZBBRYSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000339116529 176207540 /nfs/dbraw/zinc/20/75/40/176207540.db2.gz OIHAWUPKBBMICJ-IUODEOHRSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000339116530 177191736 /nfs/dbraw/zinc/19/17/36/177191736.db2.gz OIHAWUPKBBMICJ-SWLSCSKDSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000339116531 177203607 /nfs/dbraw/zinc/20/36/07/177203607.db2.gz OIHAWUPKBBMICJ-WFASDCNBSA-N 1 0 242.366 3.788 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)nc1 ZINC000339120561 386249427 /nfs/dbraw/zinc/24/94/27/386249427.db2.gz RNRCZMMBWUHWCK-HZSPNIEDSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)nc1 ZINC000339120562 386250298 /nfs/dbraw/zinc/25/02/98/386250298.db2.gz RNRCZMMBWUHWCK-MCIONIFRSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)nc1 ZINC000339120563 386250061 /nfs/dbraw/zinc/25/00/61/386250061.db2.gz RNRCZMMBWUHWCK-MGPQQGTHSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)nc1 ZINC000339120564 386250015 /nfs/dbraw/zinc/25/00/15/386250015.db2.gz RNRCZMMBWUHWCK-RDBSUJKOSA-N 1 0 246.398 3.510 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000339123777 179895840 /nfs/dbraw/zinc/89/58/40/179895840.db2.gz JYVDSKBAFPPIKN-BLLLJJGKSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000339123778 179895471 /nfs/dbraw/zinc/89/54/71/179895471.db2.gz JYVDSKBAFPPIKN-LRDDRELGSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000339123779 386252080 /nfs/dbraw/zinc/25/20/80/386252080.db2.gz JYVDSKBAFPPIKN-MLGOLLRUSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000339123780 386251839 /nfs/dbraw/zinc/25/18/39/386251839.db2.gz JYVDSKBAFPPIKN-WBMJQRKESA-N 1 0 246.398 3.792 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000339124152 177191057 /nfs/dbraw/zinc/19/10/57/177191057.db2.gz LEKNIBQVZUTPOT-GXTWGEPZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000339124154 177204061 /nfs/dbraw/zinc/20/40/61/177204061.db2.gz LEKNIBQVZUTPOT-JSGCOSHPSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000339124156 176228475 /nfs/dbraw/zinc/22/84/75/176228475.db2.gz LEKNIBQVZUTPOT-OCCSQVGLSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000339124158 176207450 /nfs/dbraw/zinc/20/74/50/176207450.db2.gz LEKNIBQVZUTPOT-TZMCWYRMSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC000339127042 177203512 /nfs/dbraw/zinc/20/35/12/177203512.db2.gz AIPYNMSSBLBXNP-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC000339127043 177191327 /nfs/dbraw/zinc/19/13/27/177191327.db2.gz AIPYNMSSBLBXNP-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC000339127044 176207592 /nfs/dbraw/zinc/20/75/92/176207592.db2.gz AIPYNMSSBLBXNP-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC000339127045 176228495 /nfs/dbraw/zinc/22/84/95/176228495.db2.gz AIPYNMSSBLBXNP-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO CCc1ccc(C[N@H+](CC2CCC2)C(C)C)nc1 ZINC000339129113 386253313 /nfs/dbraw/zinc/25/33/13/386253313.db2.gz DGUXWVRVPWKYPL-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC1(C)C ZINC000339134398 386264644 /nfs/dbraw/zinc/26/46/44/386264644.db2.gz VHRLYQBMYVHWOF-HNNXBMFYSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000339134402 386265059 /nfs/dbraw/zinc/26/50/59/386265059.db2.gz VHRLYQBMYVHWOF-OAHLLOKOSA-N 1 0 246.398 3.744 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)nc1 ZINC000339142830 386260908 /nfs/dbraw/zinc/26/09/08/386260908.db2.gz ABGLXVPVMFYXNX-HNNXBMFYSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)nc1 ZINC000339142831 386262006 /nfs/dbraw/zinc/26/20/06/386262006.db2.gz ABGLXVPVMFYXNX-OAHLLOKOSA-N 1 0 246.398 3.655 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000339149386 386273758 /nfs/dbraw/zinc/27/37/58/386273758.db2.gz WQVKOMPAYCDDAK-AWEZNQCLSA-N 1 0 249.402 3.620 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000339149387 386272727 /nfs/dbraw/zinc/27/27/27/386272727.db2.gz WQVKOMPAYCDDAK-CQSZACIVSA-N 1 0 249.402 3.620 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339155285 168100519 /nfs/dbraw/zinc/10/05/19/168100519.db2.gz QVWCSHCRIANNRQ-UHFFFAOYSA-N 1 0 244.382 3.665 20 0 BHADRO CC[C@H]([NH2+]Cc1conc1C)c1ccc(C)cc1 ZINC000339163683 388480167 /nfs/dbraw/zinc/48/01/67/388480167.db2.gz FFNLYOIBKCKETI-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1conc1C)c1ccc(C)cc1 ZINC000339163706 365451419 /nfs/dbraw/zinc/45/14/19/365451419.db2.gz FFNLYOIBKCKETI-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO Cc1sccc1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000339171523 386274335 /nfs/dbraw/zinc/27/43/35/386274335.db2.gz JNVCSABCHBKLAF-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH+]1CCCC1 ZINC000339174245 183334109 /nfs/dbraw/zinc/33/41/09/183334109.db2.gz ROWCCEVSGRGULJ-UHFFFAOYSA-N 1 0 215.340 3.550 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]Cc2ccoc2)c1 ZINC000339207011 188257373 /nfs/dbraw/zinc/25/73/73/188257373.db2.gz ZOBBKGQULBIGLU-UHFFFAOYSA-N 1 0 235.714 3.531 20 0 BHADRO CCc1ccc(C[NH+](C2CCC2)C2CCC2)nc1 ZINC000339216447 386303546 /nfs/dbraw/zinc/30/35/46/386303546.db2.gz WGQBRMYKDONPJE-UHFFFAOYSA-N 1 0 244.382 3.551 20 0 BHADRO CCc1nocc1C[NH2+]CCCCC(C)(C)C ZINC000339227654 172100519 /nfs/dbraw/zinc/10/05/19/172100519.db2.gz AGLDEFWCTKIGJS-UHFFFAOYSA-N 1 0 238.375 3.543 20 0 BHADRO Cc1nocc1C[NH2+]C(CC(C)C)CC(C)C ZINC000339228054 388480841 /nfs/dbraw/zinc/48/08/41/388480841.db2.gz CRPPXQPYQPEOMG-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cc(C[NH+]2CCC(C)(C)CC2)c(C)s1 ZINC000339258491 386331703 /nfs/dbraw/zinc/33/17/03/386331703.db2.gz RZCUIPOBSUCBLM-UHFFFAOYSA-N 1 0 237.412 3.987 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)(C)C)c(C)s1 ZINC000339259043 386331446 /nfs/dbraw/zinc/33/14/46/386331446.db2.gz YHZZSMHUUKPIFX-UHFFFAOYSA-N 1 0 225.401 3.843 20 0 BHADRO C[N@H+](Cc1cccc2cccnc21)CC(C)(C)C ZINC000339260410 386330589 /nfs/dbraw/zinc/33/05/89/386330589.db2.gz YDNFTJCSYUNVFP-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CSCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339267461 175486741 /nfs/dbraw/zinc/48/67/41/175486741.db2.gz GMSMXPMAJRWRIC-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO CSC[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339267552 386327597 /nfs/dbraw/zinc/32/75/97/386327597.db2.gz BQUJROHESWMIBC-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO CSC[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339267553 386327723 /nfs/dbraw/zinc/32/77/23/386327723.db2.gz BQUJROHESWMIBC-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CC[N@H+]1CC=C(c2c[nH]c3cc(C)ccc23)CC1 ZINC000339283119 350746163 /nfs/dbraw/zinc/74/61/63/350746163.db2.gz MRLYKSOSWMASBO-UHFFFAOYSA-N 1 0 240.350 3.585 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+][C@H]1CCSC1 ZINC000339287736 183334121 /nfs/dbraw/zinc/33/41/21/183334121.db2.gz YPPCIASSLHIIMA-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CCSC1 ZINC000339287737 183335240 /nfs/dbraw/zinc/33/52/40/183335240.db2.gz YPPCIASSLHIIMA-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]CC2(C)CC2)c1 ZINC000339290620 178064392 /nfs/dbraw/zinc/06/43/92/178064392.db2.gz KZCGVHFMSPMWGT-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO CCc1nocc1C[NH2+]CC(CC)(CC)CC ZINC000339297546 172098328 /nfs/dbraw/zinc/09/83/28/172098328.db2.gz VUBSNIICUWHLAM-UHFFFAOYSA-N 1 0 238.375 3.543 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1C ZINC000339299932 388481007 /nfs/dbraw/zinc/48/10/07/388481007.db2.gz XHNUBMFZXMOPGO-AAEUAGOBSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1C ZINC000339299933 171001834 /nfs/dbraw/zinc/00/18/34/171001834.db2.gz XHNUBMFZXMOPGO-DGCLKSJQSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1C ZINC000339299935 388481072 /nfs/dbraw/zinc/48/10/72/388481072.db2.gz XHNUBMFZXMOPGO-WCQYABFASA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1C ZINC000339299936 170990503 /nfs/dbraw/zinc/99/05/03/170990503.db2.gz XHNUBMFZXMOPGO-YPMHNXCESA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000339304632 388481699 /nfs/dbraw/zinc/48/16/99/388481699.db2.gz PNUFVJOKJWYICP-LLVKDONJSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000339304633 388481052 /nfs/dbraw/zinc/48/10/52/388481052.db2.gz PNUFVJOKJWYICP-NSHDSACASA-N 1 0 245.338 3.724 20 0 BHADRO Cc1sccc1C[NH2+]CC1(C2CC2)CCC1 ZINC000339314061 384985310 /nfs/dbraw/zinc/98/53/10/384985310.db2.gz GRDILFSGQMPJND-UHFFFAOYSA-N 1 0 235.396 3.726 20 0 BHADRO Cc1sccc1CNc1cc(C)cc(C)[nH+]1 ZINC000339318753 388482070 /nfs/dbraw/zinc/48/20/70/388482070.db2.gz VGEMBDBIBSNFGJ-UHFFFAOYSA-N 1 0 232.352 3.680 20 0 BHADRO Cc1sccc1C[NH2+]CCSCC(C)C ZINC000339326900 384983823 /nfs/dbraw/zinc/98/38/23/384983823.db2.gz UJLNXZAMGVUMSV-UHFFFAOYSA-N 1 0 243.441 3.535 20 0 BHADRO Cc1sccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000339328125 388482647 /nfs/dbraw/zinc/48/26/47/388482647.db2.gz ORBWJERVOFUDRG-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1nocc1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000339354034 386388574 /nfs/dbraw/zinc/38/85/74/386388574.db2.gz DYPGUYFPFUPQOB-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)CCC1CC1 ZINC000339361140 384990290 /nfs/dbraw/zinc/99/02/90/384990290.db2.gz YXTAQYWYRJLCJV-JTQLQIEISA-N 1 0 223.385 3.725 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)CCC1CC1 ZINC000339361141 384988193 /nfs/dbraw/zinc/98/81/93/384988193.db2.gz YXTAQYWYRJLCJV-SNVBAGLBSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1nocc1C[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000339364230 386386431 /nfs/dbraw/zinc/38/64/31/386386431.db2.gz FQEBYYBAOLEJQU-LLVKDONJSA-N 1 0 238.375 3.535 20 0 BHADRO Cc1nocc1C[NH2+]CC[C@H](C)CC(C)(C)C ZINC000339364233 386387432 /nfs/dbraw/zinc/38/74/32/386387432.db2.gz FQEBYYBAOLEJQU-NSHDSACASA-N 1 0 238.375 3.535 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccsc1C ZINC000339371118 187657132 /nfs/dbraw/zinc/65/71/32/187657132.db2.gz FTEKALOITQAGQO-UHFFFAOYSA-N 1 0 209.358 3.502 20 0 BHADRO Cc1sccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000339371222 180565752 /nfs/dbraw/zinc/56/57/52/180565752.db2.gz DZMMIZYBHXYFQY-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1sccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000339371223 388482560 /nfs/dbraw/zinc/48/25/60/388482560.db2.gz DZMMIZYBHXYFQY-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1sccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000339376041 388482782 /nfs/dbraw/zinc/48/27/82/388482782.db2.gz QBDAJVPSCSKOSF-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000339399065 187743044 /nfs/dbraw/zinc/74/30/44/187743044.db2.gz FHPGEXWEUHCRPD-CHWSQXEVSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000339399066 384990478 /nfs/dbraw/zinc/99/04/78/384990478.db2.gz FHPGEXWEUHCRPD-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000339399067 384988367 /nfs/dbraw/zinc/98/83/67/384988367.db2.gz FHPGEXWEUHCRPD-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000339399068 384993084 /nfs/dbraw/zinc/99/30/84/384993084.db2.gz FHPGEXWEUHCRPD-STQMWFEESA-N 1 0 241.737 3.629 20 0 BHADRO FCCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339407182 398156948 /nfs/dbraw/zinc/15/69/48/398156948.db2.gz JNWIOXARVZFZSV-UHFFFAOYSA-N 1 0 235.346 3.793 20 0 BHADRO Cc1nocc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000339407215 384996420 /nfs/dbraw/zinc/99/64/20/384996420.db2.gz JYAUGUMLFKLXHG-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1nocc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000339407216 385000524 /nfs/dbraw/zinc/00/05/24/385000524.db2.gz JYAUGUMLFKLXHG-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO c1cc(C[NH2+]Cc2cc3ccccc3s2)c[nH]1 ZINC000339415661 386418118 /nfs/dbraw/zinc/41/81/18/386418118.db2.gz JDJQKUHKSLHGQE-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000339447138 176864251 /nfs/dbraw/zinc/86/42/51/176864251.db2.gz XLIQZEMXJWCAKI-APHBMKBZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000339447140 386433111 /nfs/dbraw/zinc/43/31/11/386433111.db2.gz XLIQZEMXJWCAKI-MAZHCROVSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000339447141 386433757 /nfs/dbraw/zinc/43/37/57/386433757.db2.gz XLIQZEMXJWCAKI-RCBQFDQVSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000339447142 176864427 /nfs/dbraw/zinc/86/44/27/176864427.db2.gz XLIQZEMXJWCAKI-VBNZEHGJSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@]1(C[NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000339451720 386436358 /nfs/dbraw/zinc/43/63/58/386436358.db2.gz WIAQNWFKQYVOQG-CVEARBPZSA-N 1 0 241.334 3.563 20 0 BHADRO C[C@@]1(C[NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000339451721 386436446 /nfs/dbraw/zinc/43/64/46/386436446.db2.gz WIAQNWFKQYVOQG-HOTGVXAUSA-N 1 0 241.334 3.563 20 0 BHADRO C[C@]1(C[NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000339451724 386435772 /nfs/dbraw/zinc/43/57/72/386435772.db2.gz WIAQNWFKQYVOQG-HZPDHXFCSA-N 1 0 241.334 3.563 20 0 BHADRO C[C@]1(C[NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000339451726 386436748 /nfs/dbraw/zinc/43/67/48/386436748.db2.gz WIAQNWFKQYVOQG-JKSUJKDBSA-N 1 0 241.334 3.563 20 0 BHADRO CCc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cn1 ZINC000339463334 171804100 /nfs/dbraw/zinc/80/41/00/171804100.db2.gz CEUGMPVEMLIDNP-UHFFFAOYSA-N 1 0 246.398 3.558 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)o1 ZINC000339463351 388483636 /nfs/dbraw/zinc/48/36/36/388483636.db2.gz CQCNLYBFUHIAEI-UHFFFAOYSA-N 1 0 221.344 3.502 20 0 BHADRO C[C@@H](F)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000339482719 384998534 /nfs/dbraw/zinc/99/85/34/384998534.db2.gz FXKIVHGEMLGXCS-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H](F)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000339482727 384999636 /nfs/dbraw/zinc/99/96/36/384999636.db2.gz FXKIVHGEMLGXCS-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CC[C@@H](C)F ZINC000339483554 172111874 /nfs/dbraw/zinc/11/18/74/172111874.db2.gz AHDMNJGAQZOXQK-LLVKDONJSA-N 1 0 249.329 3.833 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+]CC[C@H](C)F ZINC000339483555 172113211 /nfs/dbraw/zinc/11/32/11/172113211.db2.gz AHDMNJGAQZOXQK-NSHDSACASA-N 1 0 249.329 3.833 20 0 BHADRO CCSc1cccc(C[NH2+]CC[C@@H](C)F)c1 ZINC000339487465 385003060 /nfs/dbraw/zinc/00/30/60/385003060.db2.gz VQISCKWLFOLMPI-LLVKDONJSA-N 1 0 241.375 3.636 20 0 BHADRO CCSc1cccc(C[NH2+]CC[C@H](C)F)c1 ZINC000339487467 385002398 /nfs/dbraw/zinc/00/23/98/385002398.db2.gz VQISCKWLFOLMPI-NSHDSACASA-N 1 0 241.375 3.636 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1csc2ccccc12 ZINC000339489729 385004216 /nfs/dbraw/zinc/00/42/16/385004216.db2.gz UJCSQHGICVNGTF-JTQLQIEISA-N 1 0 237.343 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1csc2ccccc12 ZINC000339489730 385004575 /nfs/dbraw/zinc/00/45/75/385004575.db2.gz UJCSQHGICVNGTF-SNVBAGLBSA-N 1 0 237.343 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000339490413 386450574 /nfs/dbraw/zinc/45/05/74/386450574.db2.gz VYFOQYYNYFOMFL-SECBINFHSA-N 1 0 249.251 3.543 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000339490421 386452224 /nfs/dbraw/zinc/45/22/24/386452224.db2.gz VYFOQYYNYFOMFL-VIFPVBQESA-N 1 0 249.251 3.543 20 0 BHADRO C[C@@H](F)CC[NH2+]CC1CCC(C)(C)CC1 ZINC000339495199 385007299 /nfs/dbraw/zinc/00/72/99/385007299.db2.gz YIYVZDVOYLKCJV-LLVKDONJSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](F)CC[NH2+]CC1CCC(C)(C)CC1 ZINC000339495201 385006713 /nfs/dbraw/zinc/00/67/13/385006713.db2.gz YIYVZDVOYLKCJV-NSHDSACASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000339498049 175789529 /nfs/dbraw/zinc/78/95/29/175789529.db2.gz MTNJXZFXJURPST-SECBINFHSA-N 1 0 249.251 3.543 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000339498054 176740028 /nfs/dbraw/zinc/74/00/28/176740028.db2.gz MTNJXZFXJURPST-VIFPVBQESA-N 1 0 249.251 3.543 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000339498093 386445611 /nfs/dbraw/zinc/44/56/11/386445611.db2.gz XMZPNXSWSBOYSA-SECBINFHSA-N 1 0 249.251 3.543 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000339498097 386445042 /nfs/dbraw/zinc/44/50/42/386445042.db2.gz XMZPNXSWSBOYSA-VIFPVBQESA-N 1 0 249.251 3.543 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CC[C@H](C)F ZINC000339499159 386448038 /nfs/dbraw/zinc/44/80/38/386448038.db2.gz WJPBQJFIGDEGGX-JTQLQIEISA-N 1 0 235.302 3.579 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CC[C@@H](C)F ZINC000339499164 386451228 /nfs/dbraw/zinc/45/12/28/386451228.db2.gz WJPBQJFIGDEGGX-SNVBAGLBSA-N 1 0 235.302 3.579 20 0 BHADRO CC(C)c1ncc(C[NH2+]C2(C(C)C)CC2)s1 ZINC000339500567 385006249 /nfs/dbraw/zinc/00/62/49/385006249.db2.gz BSAREVZIHTUYQO-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+]C2(C(C)C)CC2)s1 ZINC000339500867 188191981 /nfs/dbraw/zinc/19/19/81/188191981.db2.gz CIPFENOSXWOVIR-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000339502515 385004742 /nfs/dbraw/zinc/00/47/42/385004742.db2.gz CEFTWKVQNHGERP-AWEZNQCLSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000339502516 170889934 /nfs/dbraw/zinc/88/99/34/170889934.db2.gz CEFTWKVQNHGERP-CQSZACIVSA-N 1 0 217.356 3.916 20 0 BHADRO Cc1cc(C[NH2+]C2(C(C)C)CC2)c(C)s1 ZINC000339503656 188368372 /nfs/dbraw/zinc/36/83/72/188368372.db2.gz GDEVULCNDHWSBM-UHFFFAOYSA-N 1 0 223.385 3.643 20 0 BHADRO CC(C)c1nc(C[NH2+]C2(C(C)C)CC2)cs1 ZINC000339503953 385009508 /nfs/dbraw/zinc/00/95/08/385009508.db2.gz JOZOUFHKQZQJHW-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)C1([NH2+]Cc2ccsc2Cl)CC1 ZINC000339504333 388483747 /nfs/dbraw/zinc/48/37/47/388483747.db2.gz HZJJVEIUCHZXSI-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc3occc3c2)CC1 ZINC000339504899 166751908 /nfs/dbraw/zinc/75/19/08/166751908.db2.gz LVVWRSOORUEJRK-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CC(C)C1([NH2+]Cc2coc3ccccc23)CC1 ZINC000339508250 385009264 /nfs/dbraw/zinc/00/92/64/385009264.db2.gz SWZFWZSMCSAURT-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CSc1ccc(C[NH2+]C2(C(C)C)CC2)cc1 ZINC000339509708 385011090 /nfs/dbraw/zinc/01/10/90/385011090.db2.gz ZYMGQSUCIHBRFR-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO CC(C)C1([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000339510599 166751363 /nfs/dbraw/zinc/75/13/63/166751363.db2.gz VMXNWWAQCBSKNJ-UHFFFAOYSA-N 1 0 247.313 3.850 20 0 BHADRO CC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000339514343 168042837 /nfs/dbraw/zinc/04/28/37/168042837.db2.gz NEXLKXKTTJFPQO-CABCVRRESA-N 1 0 229.367 3.570 20 0 BHADRO CC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000339514354 168042128 /nfs/dbraw/zinc/04/21/28/168042128.db2.gz NEXLKXKTTJFPQO-GJZGRUSLSA-N 1 0 229.367 3.570 20 0 BHADRO CC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000339514358 168042778 /nfs/dbraw/zinc/04/27/78/168042778.db2.gz NEXLKXKTTJFPQO-HUUCEWRRSA-N 1 0 229.367 3.570 20 0 BHADRO CC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000339514363 168042673 /nfs/dbraw/zinc/04/26/73/168042673.db2.gz NEXLKXKTTJFPQO-LSDHHAIUSA-N 1 0 229.367 3.570 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000339518402 386463065 /nfs/dbraw/zinc/46/30/65/386463065.db2.gz OKZWHVUMLWXGJF-HNNXBMFYSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000339518410 386461329 /nfs/dbraw/zinc/46/13/29/386461329.db2.gz OKZWHVUMLWXGJF-OAHLLOKOSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000339520335 386465645 /nfs/dbraw/zinc/46/56/45/386465645.db2.gz YBCZHPKABFDYCX-HNNXBMFYSA-N 1 0 229.367 3.842 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000339520336 386465426 /nfs/dbraw/zinc/46/54/26/386465426.db2.gz YBCZHPKABFDYCX-OAHLLOKOSA-N 1 0 229.367 3.842 20 0 BHADRO Cc1ccsc1CNc1cc2c(c[nH+]1)CCC2 ZINC000339552571 386462793 /nfs/dbraw/zinc/46/27/93/386462793.db2.gz CSWSOEPKBAZCOH-UHFFFAOYSA-N 1 0 244.363 3.552 20 0 BHADRO Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)s1 ZINC000339556058 386464968 /nfs/dbraw/zinc/46/49/68/386464968.db2.gz QPBWPVSUSHVVKF-UHFFFAOYSA-N 1 0 244.363 3.552 20 0 BHADRO CCc1ccc(C[NH2+]CCC(C)(C)C2CC2)cn1 ZINC000339566490 171804343 /nfs/dbraw/zinc/80/43/43/171804343.db2.gz DIXGEFMICDWTMY-UHFFFAOYSA-N 1 0 246.398 3.560 20 0 BHADRO CC(C)(CC[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000339567232 188368848 /nfs/dbraw/zinc/36/88/48/188368848.db2.gz GHCPBOTWPMYCIS-ARJAWSKDSA-N 1 0 244.382 3.511 20 0 BHADRO CC(C)(CC[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000339567233 386480368 /nfs/dbraw/zinc/48/03/68/386480368.db2.gz GHCPBOTWPMYCIS-ONEGZZNKSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC2(C)C)o1 ZINC000339576520 388485142 /nfs/dbraw/zinc/48/51/42/388485142.db2.gz JFALOBDVQKTTMO-GFCCVEGCSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC2(C)C)o1 ZINC000339576521 388486243 /nfs/dbraw/zinc/48/62/43/388486243.db2.gz JFALOBDVQKTTMO-LBPRGKRZSA-N 1 0 221.344 3.504 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000339577751 350765657 /nfs/dbraw/zinc/76/56/57/350765657.db2.gz PRGJLRCHQNSRKZ-FOSCPCJNSA-N 1 0 244.382 3.511 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000339577752 350765629 /nfs/dbraw/zinc/76/56/29/350765629.db2.gz PRGJLRCHQNSRKZ-MBVDDHJVSA-N 1 0 244.382 3.511 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000339577753 167914140 /nfs/dbraw/zinc/91/41/40/167914140.db2.gz PRGJLRCHQNSRKZ-RGDDUWESSA-N 1 0 244.382 3.511 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000339577754 350765381 /nfs/dbraw/zinc/76/53/81/350765381.db2.gz PRGJLRCHQNSRKZ-XVWMLYKFSA-N 1 0 244.382 3.511 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCCC2(C)C)cn1 ZINC000339578186 386472985 /nfs/dbraw/zinc/47/29/85/386472985.db2.gz XUGNFVNEVOIOIG-AWEZNQCLSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCCC2(C)C)cn1 ZINC000339578188 171807326 /nfs/dbraw/zinc/80/73/26/171807326.db2.gz XUGNFVNEVOIOIG-CQSZACIVSA-N 1 0 246.398 3.560 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339585716 386488462 /nfs/dbraw/zinc/48/84/62/386488462.db2.gz ZOSGWOMIHSKYKE-KBPBESRZSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H]1F ZINC000339585717 386489081 /nfs/dbraw/zinc/48/90/81/386489081.db2.gz ZOSGWOMIHSKYKE-KGLIPLIRSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339585718 386487584 /nfs/dbraw/zinc/48/75/84/386487584.db2.gz ZOSGWOMIHSKYKE-UONOGXRCSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339585719 386488476 /nfs/dbraw/zinc/48/84/76/386488476.db2.gz ZOSGWOMIHSKYKE-ZIAGYGMSSA-N 1 0 247.313 3.721 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000339599396 176207559 /nfs/dbraw/zinc/20/75/59/176207559.db2.gz IPTHPTBJICICBY-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000339599397 176228678 /nfs/dbraw/zinc/22/86/78/176228678.db2.gz IPTHPTBJICICBY-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000339599398 177203951 /nfs/dbraw/zinc/20/39/51/177203951.db2.gz IPTHPTBJICICBY-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000339599399 177191751 /nfs/dbraw/zinc/19/17/51/177191751.db2.gz IPTHPTBJICICBY-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO C[N@H+](Cc1c(F)cccc1F)CC1(C)CCC1 ZINC000339601870 386482424 /nfs/dbraw/zinc/48/24/24/386482424.db2.gz NKBWELMFPQLUBW-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1cc(C[N@H+]2CC=C(C)CC2)c(C)s1 ZINC000339622300 168115286 /nfs/dbraw/zinc/11/52/86/168115286.db2.gz GSQKASFNWZMPDH-UHFFFAOYSA-N 1 0 221.369 3.517 20 0 BHADRO CSc1ccc(C[N@H+]2CC=C(C)CC2)cc1 ZINC000339625550 386491591 /nfs/dbraw/zinc/49/15/91/386491591.db2.gz JWNZQCHXFFABAT-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CCCC[N@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000339643119 386501465 /nfs/dbraw/zinc/50/14/65/386501465.db2.gz CRLMUGAGSXQQBB-DZGCQCFKSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cnc[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000339643121 386502909 /nfs/dbraw/zinc/50/29/09/386502909.db2.gz CRLMUGAGSXQQBB-HIFRSBDPSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000339643122 386504005 /nfs/dbraw/zinc/50/40/05/386504005.db2.gz CRLMUGAGSXQQBB-UKRRQHHQSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cnc[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000339643124 386501555 /nfs/dbraw/zinc/50/15/55/386501555.db2.gz CRLMUGAGSXQQBB-ZFWWWQNUSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1ncccn1 ZINC000339646822 350771335 /nfs/dbraw/zinc/77/13/35/350771335.db2.gz JIMYEPZABKADCL-AWEZNQCLSA-N 1 0 249.402 3.657 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1ncccn1 ZINC000339646823 350771380 /nfs/dbraw/zinc/77/13/80/350771380.db2.gz JIMYEPZABKADCL-CQSZACIVSA-N 1 0 249.402 3.657 20 0 BHADRO Cc1cc(Cl)ccc1CN1CCC[C@@H]1CF ZINC000339666682 178066453 /nfs/dbraw/zinc/06/64/53/178066453.db2.gz IQCHVOPDUJYUKB-CYBMUJFWSA-N 1 0 241.737 3.582 20 0 BHADRO Cc1cc(Cl)ccc1CN1CCC[C@H]1CF ZINC000339666683 178066757 /nfs/dbraw/zinc/06/67/57/178066757.db2.gz IQCHVOPDUJYUKB-ZDUSSCGKSA-N 1 0 241.737 3.582 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000339667536 386511153 /nfs/dbraw/zinc/51/11/53/386511153.db2.gz SNSNYKOHSVXCJH-GFCCVEGCSA-N 1 0 249.354 3.835 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000339667537 386512190 /nfs/dbraw/zinc/51/21/90/386512190.db2.gz SNSNYKOHSVXCJH-LBPRGKRZSA-N 1 0 249.354 3.835 20 0 BHADRO CC(C)[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000339719646 386530666 /nfs/dbraw/zinc/53/06/66/386530666.db2.gz NFNOAORIMKSXNQ-UHFFFAOYSA-N 1 0 223.747 3.713 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000339733797 386550919 /nfs/dbraw/zinc/55/09/19/386550919.db2.gz KUSJMJWTVICXAA-GDBMZVCRSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000339733798 386550640 /nfs/dbraw/zinc/55/06/40/386550640.db2.gz KUSJMJWTVICXAA-GOEBONIOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000339733799 386551016 /nfs/dbraw/zinc/55/10/16/386551016.db2.gz KUSJMJWTVICXAA-HOCLYGCPSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000339733800 386550355 /nfs/dbraw/zinc/55/03/55/386550355.db2.gz KUSJMJWTVICXAA-ZBFHGGJFSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000339734746 179076819 /nfs/dbraw/zinc/07/68/19/179076819.db2.gz ZPNKLYVNTYCMSL-GDBMZVCRSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000339734747 179076042 /nfs/dbraw/zinc/07/60/42/179076042.db2.gz ZPNKLYVNTYCMSL-GOEBONIOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000339734748 179076514 /nfs/dbraw/zinc/07/65/14/179076514.db2.gz ZPNKLYVNTYCMSL-HOCLYGCPSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000339734749 179077142 /nfs/dbraw/zinc/07/71/42/179077142.db2.gz ZPNKLYVNTYCMSL-ZBFHGGJFSA-N 1 0 244.382 3.545 20 0 BHADRO C[C@H](SCC[NH+](C)C)c1ccccc1Cl ZINC000339744191 177026843 /nfs/dbraw/zinc/02/68/43/177026843.db2.gz ZWMIEJDRWDGXHK-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO C[C@@H](SCC[NH+](C)C)c1ccccc1Cl ZINC000339744192 176008334 /nfs/dbraw/zinc/00/83/34/176008334.db2.gz ZWMIEJDRWDGXHK-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO C[C@H](SCC[NH+](C)C)c1cccc(Cl)c1 ZINC000339745614 177027021 /nfs/dbraw/zinc/02/70/21/177027021.db2.gz YCJNAOPPXJKYBX-JTQLQIEISA-N 1 0 243.803 3.696 20 0 BHADRO C[C@@H](SCC[NH+](C)C)c1cccc(Cl)c1 ZINC000339745615 176008489 /nfs/dbraw/zinc/00/84/89/176008489.db2.gz YCJNAOPPXJKYBX-SNVBAGLBSA-N 1 0 243.803 3.696 20 0 BHADRO C[N@H+](Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000339863225 386716437 /nfs/dbraw/zinc/71/64/37/386716437.db2.gz RGMJAXCCXWBDCO-UHFFFAOYSA-N 1 0 243.272 3.690 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)c1)C1CCC1 ZINC000339864157 350848658 /nfs/dbraw/zinc/84/86/58/350848658.db2.gz ANJDRRWAJJNXAT-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO Fc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000339868851 386726773 /nfs/dbraw/zinc/72/67/73/386726773.db2.gz ZSQUNMHKDPSLJH-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccncc1F ZINC000340162281 175873059 /nfs/dbraw/zinc/87/30/59/175873059.db2.gz GLSXJAJGQIQTET-GFCCVEGCSA-N 1 0 248.345 3.762 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccncc1F ZINC000340162287 385812847 /nfs/dbraw/zinc/81/28/47/385812847.db2.gz GLSXJAJGQIQTET-LBPRGKRZSA-N 1 0 248.345 3.762 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340165507 170382917 /nfs/dbraw/zinc/38/29/17/170382917.db2.gz UGIZQJSCUOICOQ-CYBMUJFWSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340165508 170381335 /nfs/dbraw/zinc/38/13/35/170381335.db2.gz UGIZQJSCUOICOQ-ZDUSSCGKSA-N 1 0 247.382 3.641 20 0 BHADRO CC(C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340168628 167138530 /nfs/dbraw/zinc/13/85/30/167138530.db2.gz UPUPPCFFSCQIIY-LLVKDONJSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340168629 167132749 /nfs/dbraw/zinc/13/27/49/167132749.db2.gz UPUPPCFFSCQIIY-NSHDSACASA-N 1 0 203.329 3.623 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 ZINC000340172043 388488436 /nfs/dbraw/zinc/48/84/36/388488436.db2.gz AQIDOWYBPRPIAK-LLVKDONJSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 ZINC000340172044 388488529 /nfs/dbraw/zinc/48/85/29/388488529.db2.gz AQIDOWYBPRPIAK-NSHDSACASA-N 1 0 215.340 3.625 20 0 BHADRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1(C)CC1 ZINC000340172067 541406709 /nfs/dbraw/zinc/40/67/09/541406709.db2.gz BEAQMPWLUMNQOT-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1(C)CC1 ZINC000340172068 176881346 /nfs/dbraw/zinc/88/13/46/176881346.db2.gz BEAQMPWLUMNQOT-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000340172480 385819764 /nfs/dbraw/zinc/81/97/64/385819764.db2.gz ADXONCLJXIKQNC-AWEZNQCLSA-N 1 0 229.323 3.563 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000340172481 385818946 /nfs/dbraw/zinc/81/89/46/385818946.db2.gz ADXONCLJXIKQNC-CQSZACIVSA-N 1 0 229.323 3.563 20 0 BHADRO CSCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340177183 385040504 /nfs/dbraw/zinc/04/05/04/385040504.db2.gz BKWKIKGVKXBGAN-LLVKDONJSA-N 1 0 235.396 3.578 20 0 BHADRO CSCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340177187 175498636 /nfs/dbraw/zinc/49/86/36/175498636.db2.gz BKWKIKGVKXBGAN-NSHDSACASA-N 1 0 235.396 3.578 20 0 BHADRO Cc1cccc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000340187834 179074037 /nfs/dbraw/zinc/07/40/37/179074037.db2.gz CSHUGPJSBQMNNJ-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO C[C@H](c1cccnc1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340187976 177044405 /nfs/dbraw/zinc/04/44/05/177044405.db2.gz BOKBTDLPGFLENJ-CYBMUJFWSA-N 1 0 244.382 3.821 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340187978 176028553 /nfs/dbraw/zinc/02/85/53/176028553.db2.gz BOKBTDLPGFLENJ-ZDUSSCGKSA-N 1 0 244.382 3.821 20 0 BHADRO Cc1ccncc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340188139 385845604 /nfs/dbraw/zinc/84/56/04/385845604.db2.gz GXLMWQKZLHIKOV-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340189839 170369135 /nfs/dbraw/zinc/36/91/35/170369135.db2.gz ZYYUXQJEIZPKSR-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340189840 170369280 /nfs/dbraw/zinc/36/92/80/170369280.db2.gz ZYYUXQJEIZPKSR-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@H](c1ccccn1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191239 177043868 /nfs/dbraw/zinc/04/38/68/177043868.db2.gz OZQWYIHDNVAXOA-CYBMUJFWSA-N 1 0 244.382 3.821 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191240 176028347 /nfs/dbraw/zinc/02/83/47/176028347.db2.gz OZQWYIHDNVAXOA-ZDUSSCGKSA-N 1 0 244.382 3.821 20 0 BHADRO Cc1ccc(C[N@H+]2CC=C(C(C)(C)C)CC2)nc1 ZINC000340191688 385868233 /nfs/dbraw/zinc/86/82/33/385868233.db2.gz UGXUILUZSIIXDT-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CC[N@H+](Cc1ccc(F)c2cccnc12)C(C)C ZINC000340212880 352057390 /nfs/dbraw/zinc/05/73/90/352057390.db2.gz ALHDNFDZUPSLJT-UHFFFAOYSA-N 1 0 246.329 3.604 20 0 BHADRO Cc1cc(C)c(C[N@H+](C)Cc2ccoc2)c(C)c1 ZINC000340213574 352058566 /nfs/dbraw/zinc/05/85/66/352058566.db2.gz AYFAEFIAHLVXEF-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340223194 174385136 /nfs/dbraw/zinc/38/51/36/174385136.db2.gz TXFYRFUMSCQWFC-CHWSQXEVSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340223195 174385334 /nfs/dbraw/zinc/38/53/34/174385334.db2.gz TXFYRFUMSCQWFC-OLZOCXBDSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340223196 174408534 /nfs/dbraw/zinc/40/85/34/174408534.db2.gz TXFYRFUMSCQWFC-QWHCGFSZSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340223197 174407387 /nfs/dbraw/zinc/40/73/87/174407387.db2.gz TXFYRFUMSCQWFC-STQMWFEESA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340223800 174818324 /nfs/dbraw/zinc/81/83/24/174818324.db2.gz ZTCWPIJAROZJJE-CHWSQXEVSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340223801 386014611 /nfs/dbraw/zinc/01/46/11/386014611.db2.gz ZTCWPIJAROZJJE-OLZOCXBDSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340223802 174691241 /nfs/dbraw/zinc/69/12/41/174691241.db2.gz ZTCWPIJAROZJJE-QWHCGFSZSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340223803 386014433 /nfs/dbraw/zinc/01/44/33/386014433.db2.gz ZTCWPIJAROZJJE-STQMWFEESA-N 1 0 247.382 3.640 20 0 BHADRO Oc1cccc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000340224221 183291904 /nfs/dbraw/zinc/29/19/04/183291904.db2.gz YHONOXAEHOBEEN-HNNXBMFYSA-N 1 0 245.366 3.595 20 0 BHADRO Oc1cccc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000340224222 183291309 /nfs/dbraw/zinc/29/13/09/183291309.db2.gz YHONOXAEHOBEEN-OAHLLOKOSA-N 1 0 245.366 3.595 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340231440 386044725 /nfs/dbraw/zinc/04/47/25/386044725.db2.gz PPPWXHOJXFXCFP-CHWSQXEVSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340231441 386043316 /nfs/dbraw/zinc/04/33/16/386043316.db2.gz PPPWXHOJXFXCFP-OLZOCXBDSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340231442 170448300 /nfs/dbraw/zinc/44/83/00/170448300.db2.gz PPPWXHOJXFXCFP-QWHCGFSZSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340231444 386043805 /nfs/dbraw/zinc/04/38/05/386043805.db2.gz PPPWXHOJXFXCFP-STQMWFEESA-N 1 0 247.382 3.640 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCCCC3)nc1 ZINC000340235623 386055236 /nfs/dbraw/zinc/05/52/36/386055236.db2.gz IZPHIQFZNYMJAT-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC23CCCCC3)n1 ZINC000340237887 179074060 /nfs/dbraw/zinc/07/40/60/179074060.db2.gz UDUGYGDDNINOGH-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCCC12CCCCC2 ZINC000340239805 386069759 /nfs/dbraw/zinc/06/97/59/386069759.db2.gz RCIYMFLSXNOSAW-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340243336 175487662 /nfs/dbraw/zinc/48/76/62/175487662.db2.gz FEZHAJXYHWWHCO-GFCCVEGCSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340243339 386077993 /nfs/dbraw/zinc/07/79/93/386077993.db2.gz FEZHAJXYHWWHCO-LBPRGKRZSA-N 1 0 249.423 3.968 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1c(C)noc1C ZINC000340243484 170891922 /nfs/dbraw/zinc/89/19/22/170891922.db2.gz QONHEDNOJIGTMN-GFCCVEGCSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1c(C)noc1C ZINC000340243485 386081520 /nfs/dbraw/zinc/08/15/20/386081520.db2.gz QONHEDNOJIGTMN-LBPRGKRZSA-N 1 0 236.359 3.522 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340245752 386092730 /nfs/dbraw/zinc/09/27/30/386092730.db2.gz SWKFUSZKSXXNHD-NEPJUHHUSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340245762 386091830 /nfs/dbraw/zinc/09/18/30/386091830.db2.gz SWKFUSZKSXXNHD-NWDGAFQWSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340245764 386091290 /nfs/dbraw/zinc/09/12/90/386091290.db2.gz SWKFUSZKSXXNHD-RYUDHWBXSA-N 1 0 249.423 3.966 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340245766 386093643 /nfs/dbraw/zinc/09/36/43/386093643.db2.gz SWKFUSZKSXXNHD-VXGBXAGGSA-N 1 0 249.423 3.966 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340247174 171461081 /nfs/dbraw/zinc/46/10/81/171461081.db2.gz IOQJDVXOOOIYON-BLLLJJGKSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340247175 170848393 /nfs/dbraw/zinc/84/83/93/170848393.db2.gz IOQJDVXOOOIYON-LRDDRELGSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340247176 386095558 /nfs/dbraw/zinc/09/55/58/386095558.db2.gz IOQJDVXOOOIYON-MLGOLLRUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340247177 386095423 /nfs/dbraw/zinc/09/54/23/386095423.db2.gz IOQJDVXOOOIYON-WBMJQRKESA-N 1 0 247.382 3.640 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340253619 168443975 /nfs/dbraw/zinc/44/39/75/168443975.db2.gz AIMOCFALWZJWCP-JVWICGRDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340253620 386123565 /nfs/dbraw/zinc/12/35/65/386123565.db2.gz AIMOCFALWZJWCP-OWYJLGKBSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@]1(C)CCCO1 ZINC000340261468 386145595 /nfs/dbraw/zinc/14/55/95/386145595.db2.gz VIUQYAUFIBEKAH-DOMZBBRYSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@]1(C)CCCO1 ZINC000340261469 386145185 /nfs/dbraw/zinc/14/51/85/386145185.db2.gz VIUQYAUFIBEKAH-IUODEOHRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@]1(C)CCCO1 ZINC000340261471 386144912 /nfs/dbraw/zinc/14/49/12/386144912.db2.gz VIUQYAUFIBEKAH-SWLSCSKDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@]1(C)CCCO1 ZINC000340261473 386144739 /nfs/dbraw/zinc/14/47/39/386144739.db2.gz VIUQYAUFIBEKAH-WFASDCNBSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340270205 173944174 /nfs/dbraw/zinc/94/41/74/173944174.db2.gz ZYLCJHVLWCDPLP-GFCCVEGCSA-N 1 0 247.382 3.640 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340270208 386173865 /nfs/dbraw/zinc/17/38/65/386173865.db2.gz ZYLCJHVLWCDPLP-LBPRGKRZSA-N 1 0 247.382 3.640 20 0 BHADRO C[N@H+](CC1(C)CCC1)[C@H]1CCc2ccccc21 ZINC000340275643 172640062 /nfs/dbraw/zinc/64/00/62/172640062.db2.gz BSWCTFOGYGLFRR-HNNXBMFYSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](CC1(C)CCC1)[C@@H]1CCc2ccccc21 ZINC000340275646 386185973 /nfs/dbraw/zinc/18/59/73/386185973.db2.gz BSWCTFOGYGLFRR-OAHLLOKOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CC1(C)CCC1)[C@H](C)c1cccc(O)c1 ZINC000340276801 386188422 /nfs/dbraw/zinc/18/84/22/386188422.db2.gz AOVKPBLFCBAJBW-CYBMUJFWSA-N 1 0 247.382 3.965 20 0 BHADRO CC[N@H+](CC1(C)CCC1)[C@@H](C)c1cccc(O)c1 ZINC000340276802 386187735 /nfs/dbraw/zinc/18/77/35/386187735.db2.gz AOVKPBLFCBAJBW-ZDUSSCGKSA-N 1 0 247.382 3.965 20 0 BHADRO C[N@@H+](Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 ZINC000340281096 386198563 /nfs/dbraw/zinc/19/85/63/386198563.db2.gz VFEVCIJINZXCJO-CYBMUJFWSA-N 1 0 239.309 3.554 20 0 BHADRO C[N@@H+](Cc1ccccc1)C[C@H]1CCC(F)(F)C1 ZINC000340281113 386198392 /nfs/dbraw/zinc/19/83/92/386198392.db2.gz VFEVCIJINZXCJO-ZDUSSCGKSA-N 1 0 239.309 3.554 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CCC(F)(F)C1)C1(C)CC1 ZINC000340283300 386195243 /nfs/dbraw/zinc/19/52/43/386195243.db2.gz YXVBVYXHLIDJRX-GHMZBOCLSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CCC(F)(F)C1)C1(C)CC1 ZINC000340283304 386198454 /nfs/dbraw/zinc/19/84/54/386198454.db2.gz YXVBVYXHLIDJRX-MNOVXSKESA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CCC(F)(F)C1)C1(C)CC1 ZINC000340283306 386198422 /nfs/dbraw/zinc/19/84/22/386198422.db2.gz YXVBVYXHLIDJRX-QWRGUYRKSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CCC(F)(F)C1)C1(C)CC1 ZINC000340283308 386198095 /nfs/dbraw/zinc/19/80/95/386198095.db2.gz YXVBVYXHLIDJRX-WDEREUQCSA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](Cc1ccc(F)c(F)c1)CC1(C)CCC1 ZINC000340284649 172850875 /nfs/dbraw/zinc/85/08/75/172850875.db2.gz QNVXAJZBHVCSRL-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC1(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CCC1 ZINC000340284843 168026956 /nfs/dbraw/zinc/02/69/56/168026956.db2.gz BRQOFUWVYXOCHC-CHWSQXEVSA-N 1 0 239.428 3.537 20 0 BHADRO CC1(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CCC1 ZINC000340284860 168026460 /nfs/dbraw/zinc/02/64/60/168026460.db2.gz BRQOFUWVYXOCHC-OLZOCXBDSA-N 1 0 239.428 3.537 20 0 BHADRO CC1(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CCC1 ZINC000340284863 168026539 /nfs/dbraw/zinc/02/65/39/168026539.db2.gz BRQOFUWVYXOCHC-QWHCGFSZSA-N 1 0 239.428 3.537 20 0 BHADRO CC1(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CCC1 ZINC000340284867 168027186 /nfs/dbraw/zinc/02/71/86/168027186.db2.gz BRQOFUWVYXOCHC-STQMWFEESA-N 1 0 239.428 3.537 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CC1(C)CCC1 ZINC000340287646 177036474 /nfs/dbraw/zinc/03/64/74/177036474.db2.gz WQCSTSOIOJGLCR-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1(C)CCC1 ZINC000340287647 176018129 /nfs/dbraw/zinc/01/81/29/176018129.db2.gz WQCSTSOIOJGLCR-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO CC1(C[N@H+](Cc2cccs2)C2CC2)CCC1 ZINC000340287819 168024383 /nfs/dbraw/zinc/02/43/83/168024383.db2.gz MGBQEULRHJPUTM-UHFFFAOYSA-N 1 0 235.396 3.903 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1(C)CCC1 ZINC000340289772 177048421 /nfs/dbraw/zinc/04/84/21/177048421.db2.gz QOUBCYZOYVNDCU-LLVKDONJSA-N 1 0 223.385 3.931 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1(C)CCC1 ZINC000340289778 176033358 /nfs/dbraw/zinc/03/33/58/176033358.db2.gz QOUBCYZOYVNDCU-NSHDSACASA-N 1 0 223.385 3.931 20 0 BHADRO CC[N@H+](Cc1cccs1)CC1(C)CCC1 ZINC000340289993 352157361 /nfs/dbraw/zinc/15/73/61/352157361.db2.gz LZCUOYJUSNACMH-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000340291435 177047860 /nfs/dbraw/zinc/04/78/60/177047860.db2.gz QDBJPVROZGSZHT-GHMZBOCLSA-N 1 0 243.297 3.708 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000340291449 177048132 /nfs/dbraw/zinc/04/81/32/177048132.db2.gz QDBJPVROZGSZHT-MNOVXSKESA-N 1 0 243.297 3.708 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000340291453 176031018 /nfs/dbraw/zinc/03/10/18/176031018.db2.gz QDBJPVROZGSZHT-QWRGUYRKSA-N 1 0 243.297 3.708 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000340291455 176031295 /nfs/dbraw/zinc/03/12/95/176031295.db2.gz QDBJPVROZGSZHT-WDEREUQCSA-N 1 0 243.297 3.708 20 0 BHADRO COc1ccc(C[N@H+](C)CC2(C)CCC2)cc1C ZINC000340291458 386224956 /nfs/dbraw/zinc/22/49/56/386224956.db2.gz WKJDKOHGCOVKTR-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)CC1(C)CCC1 ZINC000340292352 386225114 /nfs/dbraw/zinc/22/51/14/386225114.db2.gz UEDHGCYFIPQKDH-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)CC1(C)CCC1 ZINC000340292367 398083926 /nfs/dbraw/zinc/08/39/26/398083926.db2.gz UEDHGCYFIPQKDH-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cccc(C2CC2)c1 ZINC000340295694 385046907 /nfs/dbraw/zinc/04/69/07/385046907.db2.gz PSULVLAJRJMVGG-LLVKDONJSA-N 1 0 215.340 3.767 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cccc(C2CC2)c1 ZINC000340295697 385046882 /nfs/dbraw/zinc/04/68/82/385046882.db2.gz PSULVLAJRJMVGG-NSHDSACASA-N 1 0 215.340 3.767 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000340301062 171295761 /nfs/dbraw/zinc/29/57/61/171295761.db2.gz FDEJOYISVHQDIU-QJPTWQEYSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000340301063 171298028 /nfs/dbraw/zinc/29/80/28/171298028.db2.gz FDEJOYISVHQDIU-SDDRHHMPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000340301064 171298755 /nfs/dbraw/zinc/29/87/55/171298755.db2.gz FDEJOYISVHQDIU-SRVKXCTJSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000340301065 171295373 /nfs/dbraw/zinc/29/53/73/171295373.db2.gz FDEJOYISVHQDIU-TUAOUCFPSA-N 1 0 238.350 3.696 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340310175 386281995 /nfs/dbraw/zinc/28/19/95/386281995.db2.gz RRYIGMKVKRFAJW-NEPJUHHUSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340310176 386282711 /nfs/dbraw/zinc/28/27/11/386282711.db2.gz RRYIGMKVKRFAJW-NWDGAFQWSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340310177 386282496 /nfs/dbraw/zinc/28/24/96/386282496.db2.gz RRYIGMKVKRFAJW-RYUDHWBXSA-N 1 0 249.423 3.966 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340310178 386282221 /nfs/dbraw/zinc/28/22/21/386282221.db2.gz RRYIGMKVKRFAJW-VXGBXAGGSA-N 1 0 249.423 3.966 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000340311970 398086013 /nfs/dbraw/zinc/08/60/13/398086013.db2.gz KPOKXAGDUSBZFD-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000340311971 398085790 /nfs/dbraw/zinc/08/57/90/398085790.db2.gz KPOKXAGDUSBZFD-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340362233 167244094 /nfs/dbraw/zinc/24/40/94/167244094.db2.gz XSCREGDWSKLVMH-CYBMUJFWSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340362234 167245217 /nfs/dbraw/zinc/24/52/17/167245217.db2.gz XSCREGDWSKLVMH-ZDUSSCGKSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340365376 386502126 /nfs/dbraw/zinc/50/21/26/386502126.db2.gz KQIONESEEFNVEV-FRRDWIJNSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340365377 174845583 /nfs/dbraw/zinc/84/55/83/174845583.db2.gz KQIONESEEFNVEV-JHJVBQTASA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340365378 386503206 /nfs/dbraw/zinc/50/32/06/386503206.db2.gz KQIONESEEFNVEV-RWMBFGLXSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340365379 174851297 /nfs/dbraw/zinc/85/12/97/174851297.db2.gz KQIONESEEFNVEV-YNEHKIRRSA-N 1 0 247.382 3.638 20 0 BHADRO FC(F)C1(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340378426 180899797 /nfs/dbraw/zinc/89/97/97/180899797.db2.gz OISMYTHMKHUKAF-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC(F)C1(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340378427 180899432 /nfs/dbraw/zinc/89/94/32/180899432.db2.gz OISMYTHMKHUKAF-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340387883 180942830 /nfs/dbraw/zinc/94/28/30/180942830.db2.gz CEAORYATIYADRV-AGIUHOORSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340387892 385054827 /nfs/dbraw/zinc/05/48/27/385054827.db2.gz CEAORYATIYADRV-FRRDWIJNSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340387895 180942350 /nfs/dbraw/zinc/94/23/50/180942350.db2.gz CEAORYATIYADRV-JHJVBQTASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340387899 385053456 /nfs/dbraw/zinc/05/34/56/385053456.db2.gz CEAORYATIYADRV-UPJWGTAASA-N 1 0 225.351 3.580 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)OC ZINC000340388630 386630733 /nfs/dbraw/zinc/63/07/33/386630733.db2.gz MWXUBSFPANLSTG-BLLLJJGKSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C2CC2)c1)OC ZINC000340389412 386635413 /nfs/dbraw/zinc/63/54/13/386635413.db2.gz MWXUBSFPANLSTG-LRDDRELGSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1cccc(C2CC2)c1)OC ZINC000340389413 171440474 /nfs/dbraw/zinc/44/04/74/171440474.db2.gz MWXUBSFPANLSTG-MLGOLLRUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1cccc(C2CC2)c1)OC ZINC000340389414 386634085 /nfs/dbraw/zinc/63/40/85/386634085.db2.gz MWXUBSFPANLSTG-WBMJQRKESA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cccc(C2CC2)c1 ZINC000340389420 175873866 /nfs/dbraw/zinc/87/38/66/175873866.db2.gz NCABBBPULMKJQR-GFCCVEGCSA-N 1 0 235.346 3.964 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cccc(C2CC2)c1 ZINC000340389421 398102933 /nfs/dbraw/zinc/10/29/33/398102933.db2.gz NCABBBPULMKJQR-LBPRGKRZSA-N 1 0 235.346 3.964 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000340418453 386787703 /nfs/dbraw/zinc/78/77/03/386787703.db2.gz HVCVGXWMJOCGNH-USPMSXPRSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000340418458 179684762 /nfs/dbraw/zinc/68/47/62/179684762.db2.gz HVCVGXWMJOCGNH-UWLZSVRSSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000340418462 386788401 /nfs/dbraw/zinc/78/84/01/386788401.db2.gz HVCVGXWMJOCGNH-WLIAPVHPSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000340418464 179686397 /nfs/dbraw/zinc/68/63/97/179686397.db2.gz HVCVGXWMJOCGNH-WOICTCIZSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000340422629 386804548 /nfs/dbraw/zinc/80/45/48/386804548.db2.gz IANJHXHEDJZTHE-USPMSXPRSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422631 386804078 /nfs/dbraw/zinc/80/40/78/386804078.db2.gz IANJHXHEDJZTHE-UWLZSVRSSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422633 386803731 /nfs/dbraw/zinc/80/37/31/386803731.db2.gz IANJHXHEDJZTHE-WLIAPVHPSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000340422635 386804473 /nfs/dbraw/zinc/80/44/73/386804473.db2.gz IANJHXHEDJZTHE-WOICTCIZSA-N 1 0 244.382 3.619 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)C1(C)CC1 ZINC000340424788 175906094 /nfs/dbraw/zinc/90/60/94/175906094.db2.gz IEXRIQQBVCXXHN-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)C1(C)CC1 ZINC000340424789 386804447 /nfs/dbraw/zinc/80/44/47/386804447.db2.gz IEXRIQQBVCXXHN-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC([NH2+]Cc2coc3ccccc23)C1 ZINC000340430937 385063085 /nfs/dbraw/zinc/06/30/85/385063085.db2.gz AJEURYCIRURTDX-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000340439362 174094171 /nfs/dbraw/zinc/09/41/71/174094171.db2.gz LJZSXNRAYJBJOL-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO COCC1(CC[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000340439363 174095758 /nfs/dbraw/zinc/09/57/58/174095758.db2.gz LJZSXNRAYJBJOL-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)C[C@H]1c1ccccc1)C1(C)CC1 ZINC000340440674 386887482 /nfs/dbraw/zinc/88/74/82/386887482.db2.gz RCKJBMATCYUJQE-JLJPHGGASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000340440675 176872008 /nfs/dbraw/zinc/87/20/08/176872008.db2.gz RCKJBMATCYUJQE-LXZKKBNFSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1(C)CC1 ZINC000340440676 386885754 /nfs/dbraw/zinc/88/57/54/386885754.db2.gz RCKJBMATCYUJQE-QRTARXTBSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000340440677 386887522 /nfs/dbraw/zinc/88/75/22/386887522.db2.gz RCKJBMATCYUJQE-YSVLISHTSA-N 1 0 243.394 3.958 20 0 BHADRO COC1(CC[NH2+][C@H](C)CC2CCCC2)CCC1 ZINC000340442413 173991019 /nfs/dbraw/zinc/99/10/19/173991019.db2.gz AIVNXVTYQZVHSH-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@@H](C)CC2CCCC2)CCC1 ZINC000340442415 386896455 /nfs/dbraw/zinc/89/64/55/386896455.db2.gz AIVNXVTYQZVHSH-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340442740 171341040 /nfs/dbraw/zinc/34/10/40/171341040.db2.gz DBCBYWFJEFMDNJ-AEGPPILISA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340442744 171342512 /nfs/dbraw/zinc/34/25/12/171342512.db2.gz DBCBYWFJEFMDNJ-CFVMTHIKSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340442750 171340991 /nfs/dbraw/zinc/34/09/91/171340991.db2.gz DBCBYWFJEFMDNJ-NWANDNLSSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340442753 171342454 /nfs/dbraw/zinc/34/24/54/171342454.db2.gz DBCBYWFJEFMDNJ-QEJZJMRPSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340444311 171058655 /nfs/dbraw/zinc/05/86/55/171058655.db2.gz CTSBOFGYDYFXRM-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340444313 386893990 /nfs/dbraw/zinc/89/39/90/386893990.db2.gz CTSBOFGYDYFXRM-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340444316 171043875 /nfs/dbraw/zinc/04/38/75/171043875.db2.gz CTSBOFGYDYFXRM-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340444319 171648959 /nfs/dbraw/zinc/64/89/59/171648959.db2.gz CTSBOFGYDYFXRM-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO CC1CC([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000340445169 168145066 /nfs/dbraw/zinc/14/50/66/168145066.db2.gz OUEYXFNMBBLCFZ-AHNOJICISA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)C1 ZINC000340445171 168144883 /nfs/dbraw/zinc/14/48/83/168144883.db2.gz OUEYXFNMBBLCFZ-DISOXQEGSA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000340445173 168147297 /nfs/dbraw/zinc/14/72/97/168147297.db2.gz OUEYXFNMBBLCFZ-GDVJOBBMSA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000340445174 168147135 /nfs/dbraw/zinc/14/71/35/168147135.db2.gz OUEYXFNMBBLCFZ-UAOKOLBASA-N 1 0 229.367 3.568 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)CCC(C)C)CCC1 ZINC000340447427 174094806 /nfs/dbraw/zinc/09/48/06/174094806.db2.gz VWQLWOQWAVBHPC-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(CC[NH2+][C@H](C)CCC(C)C)CCC1 ZINC000340447429 174096051 /nfs/dbraw/zinc/09/60/51/174096051.db2.gz VWQLWOQWAVBHPC-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cccnc1 ZINC000340449791 385788936 /nfs/dbraw/zinc/78/89/36/385788936.db2.gz DYIGXFGEAXEVBO-LMWSTFAQSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cccnc1 ZINC000340449792 385788529 /nfs/dbraw/zinc/78/85/29/385788529.db2.gz DYIGXFGEAXEVBO-XGNXJENSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1nccs1 ZINC000340452530 388491165 /nfs/dbraw/zinc/49/11/65/388491165.db2.gz SCPUDSNQVJHUCC-KPPDAEKUSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1nccs1 ZINC000340452531 176826381 /nfs/dbraw/zinc/82/63/81/176826381.db2.gz SCPUDSNQVJHUCC-WHXUTIOJSA-N 1 0 238.400 3.618 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000340454913 385827350 /nfs/dbraw/zinc/82/73/50/385827350.db2.gz SXKWSNZIROKHEX-DZGCQCFKSA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000340454914 385827868 /nfs/dbraw/zinc/82/78/68/385827868.db2.gz SXKWSNZIROKHEX-HIFRSBDPSA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000340454915 385827857 /nfs/dbraw/zinc/82/78/57/385827857.db2.gz SXKWSNZIROKHEX-UKRRQHHQSA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000340454916 385827898 /nfs/dbraw/zinc/82/78/98/385827898.db2.gz SXKWSNZIROKHEX-ZFWWWQNUSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccncc1 ZINC000340455127 175857558 /nfs/dbraw/zinc/85/75/58/175857558.db2.gz UCOSACRBUNTPFT-LMWSTFAQSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccncc1 ZINC000340455128 176827150 /nfs/dbraw/zinc/82/71/50/176827150.db2.gz UCOSACRBUNTPFT-XGNXJENSSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]1C ZINC000340456200 388491028 /nfs/dbraw/zinc/49/10/28/388491028.db2.gz VWPLQROWWBQQOY-GYSYKLTISA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)[C@@H]1C ZINC000340456204 176377945 /nfs/dbraw/zinc/37/79/45/176377945.db2.gz VWPLQROWWBQQOY-JTNHKYCSSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)[C@H]1C ZINC000340456205 388491015 /nfs/dbraw/zinc/49/10/15/388491015.db2.gz VWPLQROWWBQQOY-SUNKGSAMSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)[C@H]1C ZINC000340456206 388490615 /nfs/dbraw/zinc/49/06/15/388490615.db2.gz VWPLQROWWBQQOY-UHIISALHSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000340456768 388490547 /nfs/dbraw/zinc/49/05/47/388490547.db2.gz AGZJRDSGKVALON-CMPLNLGQSA-N 1 0 239.359 3.561 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000340456770 388491210 /nfs/dbraw/zinc/49/12/10/388491210.db2.gz AGZJRDSGKVALON-JQWIXIFHSA-N 1 0 239.359 3.561 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000340456771 388491004 /nfs/dbraw/zinc/49/10/04/388491004.db2.gz AGZJRDSGKVALON-PWSUYJOCSA-N 1 0 239.359 3.561 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000340456773 388491084 /nfs/dbraw/zinc/49/10/84/388491084.db2.gz AGZJRDSGKVALON-ZYHUDNBSSA-N 1 0 239.359 3.561 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](C)F)CCC2 ZINC000340457295 385836025 /nfs/dbraw/zinc/83/60/25/385836025.db2.gz AQIAIFRMSUGQHC-DOMZBBRYSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)F)CCC2 ZINC000340457296 178955995 /nfs/dbraw/zinc/95/59/95/178955995.db2.gz AQIAIFRMSUGQHC-IUODEOHRSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)F)CCC2 ZINC000340457297 178955773 /nfs/dbraw/zinc/95/57/73/178955773.db2.gz AQIAIFRMSUGQHC-SWLSCSKDSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H](C)F)CCC2 ZINC000340457299 188213221 /nfs/dbraw/zinc/21/32/21/188213221.db2.gz AQIAIFRMSUGQHC-WFASDCNBSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC[C@H](C)F)C2CCC2)o1 ZINC000340457605 385830073 /nfs/dbraw/zinc/83/00/73/385830073.db2.gz FSLKZGDEZOUXQO-HZMBPMFUSA-N 1 0 239.334 3.767 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC[C@H](C)F)C2CCC2)o1 ZINC000340457606 385829908 /nfs/dbraw/zinc/82/99/08/385829908.db2.gz FSLKZGDEZOUXQO-IINYFYTJSA-N 1 0 239.334 3.767 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC[C@@H](C)F)C2CCC2)o1 ZINC000340457607 385829280 /nfs/dbraw/zinc/82/92/80/385829280.db2.gz FSLKZGDEZOUXQO-QMTHXVAHSA-N 1 0 239.334 3.767 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC[C@@H](C)F)C2CCC2)o1 ZINC000340457608 385829623 /nfs/dbraw/zinc/82/96/23/385829623.db2.gz FSLKZGDEZOUXQO-YGRLFVJLSA-N 1 0 239.334 3.767 20 0 BHADRO CCC1CC([NH2+]Cc2coc3ccccc23)C1 ZINC000340458045 385831177 /nfs/dbraw/zinc/83/11/77/385831177.db2.gz XJAHXWCTZPNVIQ-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000340458122 176741531 /nfs/dbraw/zinc/74/15/31/176741531.db2.gz CAOUZNRQVOZPDL-HUBLWGQQSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000340458124 176741410 /nfs/dbraw/zinc/74/14/10/176741410.db2.gz CAOUZNRQVOZPDL-SLEUVZQESA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000340458126 385831796 /nfs/dbraw/zinc/83/17/96/385831796.db2.gz CAOUZNRQVOZPDL-TYNCELHUSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000340458128 385831837 /nfs/dbraw/zinc/83/18/37/385831837.db2.gz CAOUZNRQVOZPDL-XUJVJEKNSA-N 1 0 235.346 3.963 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccccc1F ZINC000340458989 385065143 /nfs/dbraw/zinc/06/51/43/385065143.db2.gz FBDJXYSLHHDFIA-GWCFXTLKSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1F ZINC000340459008 385068297 /nfs/dbraw/zinc/06/82/97/385068297.db2.gz FBDJXYSLHHDFIA-GXFFZTMASA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccccc1F ZINC000340459011 385068157 /nfs/dbraw/zinc/06/81/57/385068157.db2.gz FBDJXYSLHHDFIA-MFKMUULPSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccccc1F ZINC000340459016 385067758 /nfs/dbraw/zinc/06/77/58/385067758.db2.gz FBDJXYSLHHDFIA-ZWNOBZJWSA-N 1 0 227.298 3.615 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC[C@H](C)F)c1ccccn1 ZINC000340459178 385843546 /nfs/dbraw/zinc/84/35/46/385843546.db2.gz GAGQNVSHAZXUCV-GXTWGEPZSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC[C@H](C)F)c1ccccn1 ZINC000340459192 385843610 /nfs/dbraw/zinc/84/36/10/385843610.db2.gz GAGQNVSHAZXUCV-JSGCOSHPSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC[C@@H](C)F)c1ccccn1 ZINC000340459197 188212856 /nfs/dbraw/zinc/21/28/56/188212856.db2.gz GAGQNVSHAZXUCV-OCCSQVGLSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC[C@@H](C)F)c1ccccn1 ZINC000340459200 385842720 /nfs/dbraw/zinc/84/27/20/385842720.db2.gz GAGQNVSHAZXUCV-TZMCWYRMSA-N 1 0 238.350 3.507 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000340460308 385838318 /nfs/dbraw/zinc/83/83/18/385838318.db2.gz MYRVMAKMIWJXFC-NEPJUHHUSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1nccc2ccccc21 ZINC000340460310 385838938 /nfs/dbraw/zinc/83/89/38/385838938.db2.gz MYRVMAKMIWJXFC-NWDGAFQWSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000340460312 385839852 /nfs/dbraw/zinc/83/98/52/385839852.db2.gz MYRVMAKMIWJXFC-RYUDHWBXSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000340460314 385838827 /nfs/dbraw/zinc/83/88/27/385838827.db2.gz MYRVMAKMIWJXFC-VXGBXAGGSA-N 1 0 246.329 3.634 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000340460637 167294178 /nfs/dbraw/zinc/29/41/78/167294178.db2.gz ONAFIXSDWXEZSA-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000340460641 167294163 /nfs/dbraw/zinc/29/41/63/167294163.db2.gz ONAFIXSDWXEZSA-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C)c1 ZINC000340461875 388491129 /nfs/dbraw/zinc/49/11/29/388491129.db2.gz MYLHXAYOJXXFOU-GXTWGEPZSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1cccc(C)c1 ZINC000340461877 171522818 /nfs/dbraw/zinc/52/28/18/171522818.db2.gz MYLHXAYOJXXFOU-JSGCOSHPSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccc(C)c1 ZINC000340461879 385064389 /nfs/dbraw/zinc/06/43/89/385064389.db2.gz MYLHXAYOJXXFOU-OCCSQVGLSA-N 1 0 223.335 3.784 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccc(C)c1 ZINC000340461880 385065338 /nfs/dbraw/zinc/06/53/38/385065338.db2.gz MYLHXAYOJXXFOU-TZMCWYRMSA-N 1 0 223.335 3.784 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000340462843 176740985 /nfs/dbraw/zinc/74/09/85/176740985.db2.gz QLDWATAFANLSFT-COPLHBTASA-N 1 0 221.319 3.573 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000340463422 388490951 /nfs/dbraw/zinc/49/09/51/388490951.db2.gz QLDWATAFANLSFT-MJVIPROJSA-N 1 0 221.319 3.573 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000340463430 176742217 /nfs/dbraw/zinc/74/22/17/176742217.db2.gz QLDWATAFANLSFT-SUNKGSAMSA-N 1 0 221.319 3.573 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000340463433 388491257 /nfs/dbraw/zinc/49/12/57/388491257.db2.gz QLDWATAFANLSFT-UHIISALHSA-N 1 0 221.319 3.573 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464414 385855906 /nfs/dbraw/zinc/85/59/06/385855906.db2.gz OSQZLOPFKUZQEZ-HTQZYQBOSA-N 1 0 249.251 3.503 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc(F)c(F)c(F)c1 ZINC000340464415 176741890 /nfs/dbraw/zinc/74/18/90/176741890.db2.gz OSQZLOPFKUZQEZ-JGVFFNPUSA-N 1 0 249.251 3.503 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464416 385855412 /nfs/dbraw/zinc/85/54/12/385855412.db2.gz OSQZLOPFKUZQEZ-SFYZADRCSA-N 1 0 249.251 3.503 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464417 385856073 /nfs/dbraw/zinc/85/60/73/385856073.db2.gz OSQZLOPFKUZQEZ-YUMQZZPRSA-N 1 0 249.251 3.503 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000340464999 385856739 /nfs/dbraw/zinc/85/67/39/385856739.db2.gz JTQDKHXESZPXPB-NEPJUHHUSA-N 1 0 235.346 3.574 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc2c(c1)CCC2 ZINC000340465000 385858018 /nfs/dbraw/zinc/85/80/18/385858018.db2.gz JTQDKHXESZPXPB-NWDGAFQWSA-N 1 0 235.346 3.574 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000340465002 385856749 /nfs/dbraw/zinc/85/67/49/385856749.db2.gz JTQDKHXESZPXPB-RYUDHWBXSA-N 1 0 235.346 3.574 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000340465004 385857834 /nfs/dbraw/zinc/85/78/34/385857834.db2.gz JTQDKHXESZPXPB-VXGBXAGGSA-N 1 0 235.346 3.574 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1 ZINC000340465587 388490719 /nfs/dbraw/zinc/49/07/19/388490719.db2.gz KWLCRQIARGQPET-GWCFXTLKSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1 ZINC000340465588 388490819 /nfs/dbraw/zinc/49/08/19/388490819.db2.gz KWLCRQIARGQPET-GXFFZTMASA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1 ZINC000340465589 388490707 /nfs/dbraw/zinc/49/07/07/388490707.db2.gz KWLCRQIARGQPET-MFKMUULPSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1 ZINC000340465590 388490781 /nfs/dbraw/zinc/49/07/81/388490781.db2.gz KWLCRQIARGQPET-ZWNOBZJWSA-N 1 0 227.298 3.615 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000340465612 388490823 /nfs/dbraw/zinc/49/08/23/388490823.db2.gz LMTRMUYKTMFFNV-HTQZYQBOSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1csc(Cl)c1 ZINC000340465613 388491269 /nfs/dbraw/zinc/49/12/69/388491269.db2.gz LMTRMUYKTMFFNV-JGVFFNPUSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000340465614 388491228 /nfs/dbraw/zinc/49/12/28/388491228.db2.gz LMTRMUYKTMFFNV-SFYZADRCSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000340465615 388490681 /nfs/dbraw/zinc/49/06/81/388490681.db2.gz LMTRMUYKTMFFNV-YUMQZZPRSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000340465616 385851818 /nfs/dbraw/zinc/85/18/18/385851818.db2.gz LNKXGOPUSXJSPH-NEPJUHHUSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc2ccccc2n1 ZINC000340465617 385852044 /nfs/dbraw/zinc/85/20/44/385852044.db2.gz LNKXGOPUSXJSPH-NWDGAFQWSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000340465618 385851267 /nfs/dbraw/zinc/85/12/67/385851267.db2.gz LNKXGOPUSXJSPH-RYUDHWBXSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000340465619 175790849 /nfs/dbraw/zinc/79/08/49/175790849.db2.gz LNKXGOPUSXJSPH-VXGBXAGGSA-N 1 0 246.329 3.634 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cc(F)ccc1F ZINC000340466449 385853542 /nfs/dbraw/zinc/85/35/42/385853542.db2.gz VVGPBKFTTLOJLQ-NOZJJQNGSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cc(F)ccc1F ZINC000340466450 398126861 /nfs/dbraw/zinc/12/68/61/398126861.db2.gz VVGPBKFTTLOJLQ-RNCFNFMXSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cc(F)ccc1F ZINC000340466451 398126951 /nfs/dbraw/zinc/12/69/51/398126951.db2.gz VVGPBKFTTLOJLQ-TVQRCGJNSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1cc(F)ccc1F ZINC000340466452 398127113 /nfs/dbraw/zinc/12/71/13/398127113.db2.gz VVGPBKFTTLOJLQ-ZANVPECISA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000340466501 385853162 /nfs/dbraw/zinc/85/31/62/385853162.db2.gz ZROMVJACMHKPJD-CMPLNLGQSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000340466502 385853647 /nfs/dbraw/zinc/85/36/47/385853647.db2.gz ZROMVJACMHKPJD-JQWIXIFHSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000340466503 385853769 /nfs/dbraw/zinc/85/37/69/385853769.db2.gz ZROMVJACMHKPJD-PWSUYJOCSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000340466505 385853361 /nfs/dbraw/zinc/85/33/61/385853361.db2.gz ZROMVJACMHKPJD-ZYHUDNBSSA-N 1 0 239.334 3.631 20 0 BHADRO CCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340466817 168721719 /nfs/dbraw/zinc/72/17/19/168721719.db2.gz NJRSIJBXPFCPHX-AWEZNQCLSA-N 1 0 233.355 3.549 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340466818 168720642 /nfs/dbraw/zinc/72/06/42/168720642.db2.gz NJRSIJBXPFCPHX-CQSZACIVSA-N 1 0 233.355 3.549 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000340466930 385854693 /nfs/dbraw/zinc/85/46/93/385854693.db2.gz FSTBCWFTNLOVMU-HZMBPMFUSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000340466932 385854504 /nfs/dbraw/zinc/85/45/04/385854504.db2.gz FSTBCWFTNLOVMU-IINYFYTJSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000340466933 385854479 /nfs/dbraw/zinc/85/44/79/385854479.db2.gz FSTBCWFTNLOVMU-QMTHXVAHSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000340466935 385854726 /nfs/dbraw/zinc/85/47/26/385854726.db2.gz FSTBCWFTNLOVMU-YGRLFVJLSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000340467150 385860623 /nfs/dbraw/zinc/86/06/23/385860623.db2.gz OZVLQVPOEAWDRC-HZMBPMFUSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000340467152 176740840 /nfs/dbraw/zinc/74/08/40/176740840.db2.gz OZVLQVPOEAWDRC-IINYFYTJSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000340467153 175789857 /nfs/dbraw/zinc/78/98/57/175789857.db2.gz OZVLQVPOEAWDRC-QMTHXVAHSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000340467154 385861192 /nfs/dbraw/zinc/86/11/92/385861192.db2.gz OZVLQVPOEAWDRC-YGRLFVJLSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000340467299 385861528 /nfs/dbraw/zinc/86/15/28/385861528.db2.gz GOWYRUSCDYSMNJ-DOMZBBRYSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000340467300 385861240 /nfs/dbraw/zinc/86/12/40/385861240.db2.gz GOWYRUSCDYSMNJ-IUODEOHRSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000340467301 385860716 /nfs/dbraw/zinc/86/07/16/385860716.db2.gz GOWYRUSCDYSMNJ-SWLSCSKDSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000340467302 176741927 /nfs/dbraw/zinc/74/19/27/176741927.db2.gz GOWYRUSCDYSMNJ-WFASDCNBSA-N 1 0 235.346 3.792 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)F)c1ccsc1 ZINC000340467648 385064863 /nfs/dbraw/zinc/06/48/63/385064863.db2.gz PMWCWKBFHSAJSR-CMPLNLGQSA-N 1 0 229.364 3.927 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)F)c1ccsc1 ZINC000340467655 385065070 /nfs/dbraw/zinc/06/50/70/385065070.db2.gz PMWCWKBFHSAJSR-JQWIXIFHSA-N 1 0 229.364 3.927 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)F)c1ccsc1 ZINC000340467657 385066502 /nfs/dbraw/zinc/06/65/02/385066502.db2.gz PMWCWKBFHSAJSR-PWSUYJOCSA-N 1 0 229.364 3.927 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)F)c1ccsc1 ZINC000340467660 385064808 /nfs/dbraw/zinc/06/48/08/385064808.db2.gz PMWCWKBFHSAJSR-ZYHUDNBSSA-N 1 0 229.364 3.927 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1cccc(F)c1 ZINC000340468422 385066131 /nfs/dbraw/zinc/06/61/31/385066131.db2.gz TWWBOJRGXIYZGD-GWCFXTLKSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccc(F)c1 ZINC000340468423 170896550 /nfs/dbraw/zinc/89/65/50/170896550.db2.gz TWWBOJRGXIYZGD-GXFFZTMASA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccc(F)c1 ZINC000340468424 171522524 /nfs/dbraw/zinc/52/25/24/171522524.db2.gz TWWBOJRGXIYZGD-MFKMUULPSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccc(F)c1 ZINC000340468425 385066172 /nfs/dbraw/zinc/06/61/72/385066172.db2.gz TWWBOJRGXIYZGD-ZWNOBZJWSA-N 1 0 227.298 3.615 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340468940 171390924 /nfs/dbraw/zinc/39/09/24/171390924.db2.gz GVWUDLKWTFQWTK-HUBLWGQQSA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340468941 171390345 /nfs/dbraw/zinc/39/03/45/171390345.db2.gz GVWUDLKWTFQWTK-SLEUVZQESA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340468942 171367032 /nfs/dbraw/zinc/36/70/32/171367032.db2.gz GVWUDLKWTFQWTK-YWPYICTPSA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340468943 171367710 /nfs/dbraw/zinc/36/77/10/171367710.db2.gz GVWUDLKWTFQWTK-ZOWXZIJZSA-N 1 0 247.382 3.794 20 0 BHADRO CCC1(C)CCC([NH2+]CC[C@H](C)F)CC1 ZINC000340469842 385066754 /nfs/dbraw/zinc/06/67/54/385066754.db2.gz YLSCFXRYHDOGNE-HIFPTAJRSA-N 1 0 215.356 3.683 20 0 BHADRO CCC1(C)CCC([NH2+]CC[C@@H](C)F)CC1 ZINC000340469843 385066205 /nfs/dbraw/zinc/06/62/05/385066205.db2.gz YLSCFXRYHDOGNE-PNESKVBLSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340470573 385871027 /nfs/dbraw/zinc/87/10/27/385871027.db2.gz PYQFWDMOCIQUOJ-NEPJUHHUSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C2CC2)c1 ZINC000340470574 385870478 /nfs/dbraw/zinc/87/04/78/385870478.db2.gz PYQFWDMOCIQUOJ-NWDGAFQWSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340470578 176741335 /nfs/dbraw/zinc/74/13/35/176741335.db2.gz PYQFWDMOCIQUOJ-RYUDHWBXSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340470583 385870871 /nfs/dbraw/zinc/87/08/71/385870871.db2.gz PYQFWDMOCIQUOJ-VXGBXAGGSA-N 1 0 235.346 3.963 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC[C@H](C)F)C1 ZINC000340470808 179256297 /nfs/dbraw/zinc/25/62/97/179256297.db2.gz RFYVAACWAMHVEA-HSBZDZAISA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC[C@@H](C)F)C1 ZINC000340470809 179256318 /nfs/dbraw/zinc/25/63/18/179256318.db2.gz RFYVAACWAMHVEA-IYXRBSQSSA-N 1 0 235.346 3.579 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000340471300 175789749 /nfs/dbraw/zinc/78/97/49/175789749.db2.gz VQMRAUJHAYHNGA-NXEZZACHSA-N 1 0 237.309 3.538 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000340471306 388490907 /nfs/dbraw/zinc/49/09/07/388490907.db2.gz VQMRAUJHAYHNGA-UWVGGRQHSA-N 1 0 237.309 3.538 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)C1CCC(F)(F)CC1 ZINC000340471307 388490730 /nfs/dbraw/zinc/49/07/30/388490730.db2.gz VQMRAUJHAYHNGA-VHSXEESVSA-N 1 0 237.309 3.538 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000340471309 388491071 /nfs/dbraw/zinc/49/10/71/388491071.db2.gz VQMRAUJHAYHNGA-ZJUUUORDSA-N 1 0 237.309 3.538 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]C2(C(C)C)CC2)s1 ZINC000340476732 388490853 /nfs/dbraw/zinc/49/08/53/388490853.db2.gz BLXFEIMDGAXEGS-JTQLQIEISA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]C2(C(C)C)CC2)s1 ZINC000340476733 179919129 /nfs/dbraw/zinc/91/91/29/179919129.db2.gz BLXFEIMDGAXEGS-SNVBAGLBSA-N 1 0 238.400 3.599 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1ccc(OC)cc1 ZINC000340477734 385880462 /nfs/dbraw/zinc/88/04/62/385880462.db2.gz HNLBALHYOSNFSB-HNNXBMFYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1ccc(OC)cc1 ZINC000340477736 170889817 /nfs/dbraw/zinc/88/98/17/170889817.db2.gz HNLBALHYOSNFSB-OAHLLOKOSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C(C)C)CC2)c(C)o1 ZINC000340478466 178222863 /nfs/dbraw/zinc/22/28/63/178222863.db2.gz LIRUFSBCCNWQCO-LLVKDONJSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C(C)C)CC2)c(C)o1 ZINC000340478470 178245491 /nfs/dbraw/zinc/24/54/91/178245491.db2.gz LIRUFSBCCNWQCO-NSHDSACASA-N 1 0 221.344 3.736 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000340478533 385881714 /nfs/dbraw/zinc/88/17/14/385881714.db2.gz KGAPMGNNFFAXFV-HNNXBMFYSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000340478534 385881640 /nfs/dbraw/zinc/88/16/40/385881640.db2.gz KGAPMGNNFFAXFV-OAHLLOKOSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1ccccc1OC ZINC000340479009 385895360 /nfs/dbraw/zinc/89/53/60/385895360.db2.gz OLRQKKHKPNOYPP-AWEZNQCLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1ccccc1OC ZINC000340479016 170889526 /nfs/dbraw/zinc/88/95/26/170889526.db2.gz OLRQKKHKPNOYPP-CQSZACIVSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1c([C@@H](C)[NH2+]C2(C(C)C)CC2)cnn1C(C)C ZINC000340479085 385888188 /nfs/dbraw/zinc/88/81/88/385888188.db2.gz OYVQKLLBUZBLGH-GFCCVEGCSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+]C2(C(C)C)CC2)cnn1C(C)C ZINC000340479087 385887840 /nfs/dbraw/zinc/88/78/40/385887840.db2.gz OYVQKLLBUZBLGH-LBPRGKRZSA-N 1 0 249.402 3.612 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340479225 385887759 /nfs/dbraw/zinc/88/77/59/385887759.db2.gz LAQSVWNXJLCEQQ-AWEZNQCLSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340479226 385888411 /nfs/dbraw/zinc/88/84/11/385888411.db2.gz LAQSVWNXJLCEQQ-CQSZACIVSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000340479862 385070024 /nfs/dbraw/zinc/07/00/24/385070024.db2.gz NNMPSBMMXCZQOR-GFCCVEGCSA-N 1 0 235.396 3.904 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000340479873 385891900 /nfs/dbraw/zinc/89/19/00/385891900.db2.gz NNMPSBMMXCZQOR-LBPRGKRZSA-N 1 0 235.396 3.904 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1cccc(OC)c1 ZINC000340479979 385892056 /nfs/dbraw/zinc/89/20/56/385892056.db2.gz VZCNNVOCEJZRNO-HNNXBMFYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1cccc(OC)c1 ZINC000340479983 170889529 /nfs/dbraw/zinc/88/95/29/170889529.db2.gz VZCNNVOCEJZRNO-OAHLLOKOSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C(C)C)CC2)oc1C ZINC000340480372 178223048 /nfs/dbraw/zinc/22/30/48/178223048.db2.gz YHJGJAPTZWCHSU-LLVKDONJSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C(C)C)CC2)oc1C ZINC000340480373 178245555 /nfs/dbraw/zinc/24/55/55/178245555.db2.gz YHJGJAPTZWCHSU-NSHDSACASA-N 1 0 221.344 3.736 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000340480463 385893870 /nfs/dbraw/zinc/89/38/70/385893870.db2.gz ZJQITUUVWOTXBI-HNNXBMFYSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340480464 385894487 /nfs/dbraw/zinc/89/44/87/385894487.db2.gz ZJQITUUVWOTXBI-OAHLLOKOSA-N 1 0 245.366 3.548 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000340483085 183428759 /nfs/dbraw/zinc/42/87/59/183428759.db2.gz DIKKWRAHELBYNE-HRCADAONSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000340483088 385901965 /nfs/dbraw/zinc/90/19/65/385901965.db2.gz DIKKWRAHELBYNE-JYJNAYRXSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000340483090 385901622 /nfs/dbraw/zinc/90/16/22/385901622.db2.gz DIKKWRAHELBYNE-OWCLPIDISA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000340483091 385902199 /nfs/dbraw/zinc/90/21/99/385902199.db2.gz DIKKWRAHELBYNE-PMPSAXMXSA-N 1 0 241.378 3.712 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340494051 187525718 /nfs/dbraw/zinc/52/57/18/187525718.db2.gz ARTIYFZUJKXFIM-HNNXBMFYSA-N 1 0 245.366 3.716 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340494054 188038146 /nfs/dbraw/zinc/03/81/46/188038146.db2.gz ARTIYFZUJKXFIM-OAHLLOKOSA-N 1 0 245.366 3.716 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1ccncc1F ZINC000340494538 385980455 /nfs/dbraw/zinc/98/04/55/385980455.db2.gz DDUALOKGQFLUMR-LLVKDONJSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccncc1F ZINC000340494540 166742419 /nfs/dbraw/zinc/74/24/19/166742419.db2.gz DDUALOKGQFLUMR-NSHDSACASA-N 1 0 238.350 3.554 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1cn[nH]c1)CC(C)(C)C ZINC000340494611 176629655 /nfs/dbraw/zinc/62/96/55/176629655.db2.gz FLZLXRLQKLRTLG-NEPJUHHUSA-N 1 0 237.391 3.523 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)c1cn[nH]c1)CC(C)(C)C ZINC000340494614 385980906 /nfs/dbraw/zinc/98/09/06/385980906.db2.gz FLZLXRLQKLRTLG-NWDGAFQWSA-N 1 0 237.391 3.523 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1cn[nH]c1)CC(C)(C)C ZINC000340494615 385982486 /nfs/dbraw/zinc/98/24/86/385982486.db2.gz FLZLXRLQKLRTLG-RYUDHWBXSA-N 1 0 237.391 3.523 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1cn[nH]c1 ZINC000340494616 385982386 /nfs/dbraw/zinc/98/23/86/385982386.db2.gz FLZLXRLQKLRTLG-VXGBXAGGSA-N 1 0 237.391 3.523 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccccc1 ZINC000340495114 385074306 /nfs/dbraw/zinc/07/43/06/385074306.db2.gz DMHGGOSYGSLAOH-CABCVRRESA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccccc1 ZINC000340495117 385074169 /nfs/dbraw/zinc/07/41/69/385074169.db2.gz DMHGGOSYGSLAOH-GJZGRUSLSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccccc1 ZINC000340495119 385074387 /nfs/dbraw/zinc/07/43/87/385074387.db2.gz DMHGGOSYGSLAOH-HUUCEWRRSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)C(C)(C)O)c1ccccc1 ZINC000340495121 169513349 /nfs/dbraw/zinc/51/33/49/169513349.db2.gz DMHGGOSYGSLAOH-LSDHHAIUSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccccc1 ZINC000340499149 385078098 /nfs/dbraw/zinc/07/80/98/385078098.db2.gz YDIRFWZZMAJJCF-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccccc1 ZINC000340499150 169511281 /nfs/dbraw/zinc/51/12/81/169511281.db2.gz YDIRFWZZMAJJCF-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccccc1 ZINC000340499151 385077805 /nfs/dbraw/zinc/07/78/05/385077805.db2.gz YDIRFWZZMAJJCF-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccccc1 ZINC000340499152 385076994 /nfs/dbraw/zinc/07/69/94/385076994.db2.gz YDIRFWZZMAJJCF-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C)CC2)no1 ZINC000340499804 178257289 /nfs/dbraw/zinc/25/72/89/178257289.db2.gz SKLIZLIVJKNWGB-DRZSPHRISA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)CC2)no1 ZINC000340499809 178254112 /nfs/dbraw/zinc/25/41/12/178254112.db2.gz SKLIZLIVJKNWGB-KGYLQXTDSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)CC2)no1 ZINC000340499814 178254632 /nfs/dbraw/zinc/25/46/32/178254632.db2.gz SKLIZLIVJKNWGB-WCFLWFBJSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)CC2)no1 ZINC000340499819 178258126 /nfs/dbraw/zinc/25/81/26/178258126.db2.gz SKLIZLIVJKNWGB-WXHSDQCUSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1cccc(C)c1 ZINC000340499977 388491690 /nfs/dbraw/zinc/49/16/90/388491690.db2.gz CLSPTVZEDHYGPT-CABCVRRESA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1cccc(C)c1 ZINC000340499978 385077010 /nfs/dbraw/zinc/07/70/10/385077010.db2.gz CLSPTVZEDHYGPT-GJZGRUSLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1cccc(C)c1 ZINC000340499979 343717868 /nfs/dbraw/zinc/71/78/68/343717868.db2.gz CLSPTVZEDHYGPT-HUUCEWRRSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1cccc(C)c1)C(C)(C)O ZINC000340499980 171546348 /nfs/dbraw/zinc/54/63/48/171546348.db2.gz CLSPTVZEDHYGPT-LSDHHAIUSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(C)cc1 ZINC000340501404 385079455 /nfs/dbraw/zinc/07/94/55/385079455.db2.gz UIVFKLUCWURQHC-CABCVRRESA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(C)cc1 ZINC000340501406 385080859 /nfs/dbraw/zinc/08/08/59/385080859.db2.gz UIVFKLUCWURQHC-GJZGRUSLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(C)cc1 ZINC000340501408 343717611 /nfs/dbraw/zinc/71/76/11/343717611.db2.gz UIVFKLUCWURQHC-HUUCEWRRSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1)C(C)(C)O ZINC000340501410 385081628 /nfs/dbraw/zinc/08/16/28/385081628.db2.gz UIVFKLUCWURQHC-LSDHHAIUSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340501997 188270202 /nfs/dbraw/zinc/27/02/02/188270202.db2.gz VWZQEXRXCCHECB-INIZCTEOSA-N 1 0 245.366 3.716 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340501999 188097439 /nfs/dbraw/zinc/09/74/39/188097439.db2.gz VWZQEXRXCCHECB-MRXNPFEDSA-N 1 0 245.366 3.716 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000340506308 168021945 /nfs/dbraw/zinc/02/19/45/168021945.db2.gz LKENWFXJWCBQRS-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340506310 168021441 /nfs/dbraw/zinc/02/14/41/168021441.db2.gz LKENWFXJWCBQRS-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000340509487 168455364 /nfs/dbraw/zinc/45/53/64/168455364.db2.gz RHVQPQJXSZMFHI-GFCCVEGCSA-N 1 0 249.402 3.809 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000340509489 386067042 /nfs/dbraw/zinc/06/70/42/386067042.db2.gz RHVQPQJXSZMFHI-LBPRGKRZSA-N 1 0 249.402 3.809 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340509960 168022092 /nfs/dbraw/zinc/02/20/92/168022092.db2.gz GNKMACWRPQWNQS-AWEZNQCLSA-N 1 0 245.366 3.549 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340509973 168022008 /nfs/dbraw/zinc/02/20/08/168022008.db2.gz GNKMACWRPQWNQS-CQSZACIVSA-N 1 0 245.366 3.549 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000340514070 386089510 /nfs/dbraw/zinc/08/95/10/386089510.db2.gz GMSPGDMFMSIMMQ-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000340514072 179499561 /nfs/dbraw/zinc/49/95/61/179499561.db2.gz GMSPGDMFMSIMMQ-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc(C)on2)CCCC1 ZINC000340517661 386095102 /nfs/dbraw/zinc/09/51/02/386095102.db2.gz FDQVFDHSWMYWMM-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc(C)on2)CCCC1 ZINC000340517664 386096351 /nfs/dbraw/zinc/09/63/51/386096351.db2.gz FDQVFDHSWMYWMM-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccccn1 ZINC000340519519 187394380 /nfs/dbraw/zinc/39/43/80/187394380.db2.gz MFGPOCDECMQSDH-CHWSQXEVSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000340519520 388491679 /nfs/dbraw/zinc/49/16/79/388491679.db2.gz MFGPOCDECMQSDH-OLZOCXBDSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccccn1 ZINC000340519521 385084319 /nfs/dbraw/zinc/08/43/19/385084319.db2.gz MFGPOCDECMQSDH-QWHCGFSZSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000340519522 176859304 /nfs/dbraw/zinc/85/93/04/176859304.db2.gz MFGPOCDECMQSDH-STQMWFEESA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1nccs1 ZINC000340520786 188257612 /nfs/dbraw/zinc/25/76/12/188257612.db2.gz YEBPDNCDDSZQBF-GHMZBOCLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1nccs1 ZINC000340520787 385084945 /nfs/dbraw/zinc/08/49/45/385084945.db2.gz YEBPDNCDDSZQBF-MNOVXSKESA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1nccs1 ZINC000340520788 385085060 /nfs/dbraw/zinc/08/50/60/385085060.db2.gz YEBPDNCDDSZQBF-QWRGUYRKSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1nccs1 ZINC000340520789 385083274 /nfs/dbraw/zinc/08/32/74/385083274.db2.gz YEBPDNCDDSZQBF-WDEREUQCSA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340521365 188572284 /nfs/dbraw/zinc/57/22/84/188572284.db2.gz VRWKLPBQECVELX-DOMZBBRYSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340521784 188214396 /nfs/dbraw/zinc/21/43/96/188214396.db2.gz VRWKLPBQECVELX-IUODEOHRSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340521785 187526498 /nfs/dbraw/zinc/52/64/98/187526498.db2.gz VRWKLPBQECVELX-SWLSCSKDSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340521786 187862928 /nfs/dbraw/zinc/86/29/28/187862928.db2.gz VRWKLPBQECVELX-WFASDCNBSA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000340521821 171541118 /nfs/dbraw/zinc/54/11/18/171541118.db2.gz FZQHCFUAWIEORC-HZSPNIEDSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000340522509 386116975 /nfs/dbraw/zinc/11/69/75/386116975.db2.gz IOPXAKWXRWBKRA-KAOXEZKKSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2F)c2ccccc21 ZINC000340522535 386117170 /nfs/dbraw/zinc/11/71/70/386117170.db2.gz IOPXAKWXRWBKRA-KJEVXHAQSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2F)c2ccccc21 ZINC000340522536 386116562 /nfs/dbraw/zinc/11/65/62/386116562.db2.gz IOPXAKWXRWBKRA-QZKOUSHUSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000340522537 386116134 /nfs/dbraw/zinc/11/61/34/386116134.db2.gz IOPXAKWXRWBKRA-RABLLNBGSA-N 1 0 233.330 3.715 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000340523074 386116848 /nfs/dbraw/zinc/11/68/48/386116848.db2.gz MZVPBYLDUJXDLR-ILXRZTDVSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000340523075 386118053 /nfs/dbraw/zinc/11/80/53/386118053.db2.gz MZVPBYLDUJXDLR-KKUMJFAQSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000340523076 386116004 /nfs/dbraw/zinc/11/60/04/386116004.db2.gz MZVPBYLDUJXDLR-QLFBSQMISA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000340523077 386118073 /nfs/dbraw/zinc/11/80/73/386118073.db2.gz MZVPBYLDUJXDLR-SOUVJXGZSA-N 1 0 235.346 3.926 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000340524709 386135695 /nfs/dbraw/zinc/13/56/95/386135695.db2.gz FTTPDXKSXNRTDE-GRYCIOLGSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000340524711 386135567 /nfs/dbraw/zinc/13/55/67/386135567.db2.gz FTTPDXKSXNRTDE-IJLUTSLNSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000340524713 388491803 /nfs/dbraw/zinc/49/18/03/388491803.db2.gz FTTPDXKSXNRTDE-UTUOFQBUSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000340524715 180942427 /nfs/dbraw/zinc/94/24/27/180942427.db2.gz FTTPDXKSXNRTDE-WOPDTQHZSA-N 1 0 239.359 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccccc1 ZINC000340524740 386136204 /nfs/dbraw/zinc/13/62/04/386136204.db2.gz GBMDRDYAOBDFNW-HZSPNIEDSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340524742 386134674 /nfs/dbraw/zinc/13/46/74/386134674.db2.gz GBMDRDYAOBDFNW-IHRRRGAJSA-N 1 0 221.319 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000340524745 386136043 /nfs/dbraw/zinc/13/60/43/386136043.db2.gz AVNOGOVPJWMMAV-KDDOJWQBSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(F)c(F)c1 ZINC000340524746 386135644 /nfs/dbraw/zinc/13/56/44/386135644.db2.gz AVNOGOVPJWMMAV-LJUAHTATSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(F)c(F)c1 ZINC000340524747 176921429 /nfs/dbraw/zinc/92/14/29/176921429.db2.gz AVNOGOVPJWMMAV-QWRKXWFKSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000340524748 386135380 /nfs/dbraw/zinc/13/53/80/386135380.db2.gz AVNOGOVPJWMMAV-RLCGTCKNSA-N 1 0 243.272 3.506 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340524750 388491723 /nfs/dbraw/zinc/49/17/23/388491723.db2.gz GBMDRDYAOBDFNW-MELADBBJSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000340524752 388491595 /nfs/dbraw/zinc/49/15/95/388491595.db2.gz GBMDRDYAOBDFNW-RDBSUJKOSA-N 1 0 221.319 3.618 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000340524759 386136182 /nfs/dbraw/zinc/13/61/82/386136182.db2.gz GHLFQBVWXHQIBX-BZUAXINKSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000340524761 188394192 /nfs/dbraw/zinc/39/41/92/188394192.db2.gz GHLFQBVWXHQIBX-OAGGEKHMSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000340524764 386135777 /nfs/dbraw/zinc/13/57/77/386135777.db2.gz GHLFQBVWXHQIBX-OWCLPIDISA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000340524766 386134625 /nfs/dbraw/zinc/13/46/25/386134625.db2.gz GHLFQBVWXHQIBX-PMPSAXMXSA-N 1 0 247.357 3.934 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340525405 171540781 /nfs/dbraw/zinc/54/07/81/171540781.db2.gz HLFDXADLZYJSSS-HZSPNIEDSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340525406 386127158 /nfs/dbraw/zinc/12/71/58/386127158.db2.gz HLFDXADLZYJSSS-IHRRRGAJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340525407 386126926 /nfs/dbraw/zinc/12/69/26/386126926.db2.gz HLFDXADLZYJSSS-MELADBBJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340525408 386125869 /nfs/dbraw/zinc/12/58/69/386125869.db2.gz HLFDXADLZYJSSS-RDBSUJKOSA-N 1 0 239.309 3.757 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000340525459 386127079 /nfs/dbraw/zinc/12/70/79/386127079.db2.gz KPPFYEUPTGRSSD-ILXRZTDVSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000340525460 386126829 /nfs/dbraw/zinc/12/68/29/386126829.db2.gz KPPFYEUPTGRSSD-KFWWJZLASA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000340525461 386127246 /nfs/dbraw/zinc/12/72/46/386127246.db2.gz KPPFYEUPTGRSSD-QLFBSQMISA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000340525462 386125930 /nfs/dbraw/zinc/12/59/30/386125930.db2.gz KPPFYEUPTGRSSD-RBSFLKMASA-N 1 0 233.330 3.544 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c(C)s1 ZINC000340525838 178258807 /nfs/dbraw/zinc/25/88/07/178258807.db2.gz LQQVFZUYFKVYAD-BIMULSAOSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c(C)s1 ZINC000340525839 178253784 /nfs/dbraw/zinc/25/37/84/178253784.db2.gz LQQVFZUYFKVYAD-TVYUQYBPSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2F)c(C)s1 ZINC000340525840 178257899 /nfs/dbraw/zinc/25/78/99/178257899.db2.gz LQQVFZUYFKVYAD-XDTLVQLUSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2F)c(C)s1 ZINC000340525841 178253932 /nfs/dbraw/zinc/25/39/32/178253932.db2.gz LQQVFZUYFKVYAD-ZWKOPEQDSA-N 1 0 241.375 3.906 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000340525892 386131005 /nfs/dbraw/zinc/13/10/05/386131005.db2.gz NPGYTZQBVCNASL-ILXRZTDVSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000340525893 171549000 /nfs/dbraw/zinc/54/90/00/171549000.db2.gz NPGYTZQBVCNASL-KKUMJFAQSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000340525894 386130808 /nfs/dbraw/zinc/13/08/08/386130808.db2.gz NPGYTZQBVCNASL-QLFBSQMISA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000340525895 386128752 /nfs/dbraw/zinc/12/87/52/386128752.db2.gz NPGYTZQBVCNASL-SOUVJXGZSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)s1 ZINC000340525940 385084244 /nfs/dbraw/zinc/08/42/44/385084244.db2.gz OJBYJYYRBMCELT-AXFHLTTASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2F)s1 ZINC000340525942 386129012 /nfs/dbraw/zinc/12/90/12/386129012.db2.gz OJBYJYYRBMCELT-DCAQKATOSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)s1 ZINC000340525943 385083468 /nfs/dbraw/zinc/08/34/68/385083468.db2.gz OJBYJYYRBMCELT-GARJFASQSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2F)s1 ZINC000340525945 386130965 /nfs/dbraw/zinc/13/09/65/386130965.db2.gz OJBYJYYRBMCELT-HBNTYKKESA-N 1 0 227.348 3.598 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccccc1F ZINC000340530255 386144309 /nfs/dbraw/zinc/14/43/09/386144309.db2.gz MFIYQCIHGRQWRS-HZSPNIEDSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccccc1F ZINC000340530257 386144949 /nfs/dbraw/zinc/14/49/49/386144949.db2.gz MFIYQCIHGRQWRS-IHRRRGAJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1F ZINC000340530262 386146180 /nfs/dbraw/zinc/14/61/80/386146180.db2.gz MFIYQCIHGRQWRS-MELADBBJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1F ZINC000340530265 386144421 /nfs/dbraw/zinc/14/44/21/386144421.db2.gz MFIYQCIHGRQWRS-RDBSUJKOSA-N 1 0 239.309 3.757 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340530281 386146362 /nfs/dbraw/zinc/14/63/62/386146362.db2.gz YRQSZGLGKWYTRP-AWEZNQCLSA-N 1 0 245.366 3.549 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340530286 386144823 /nfs/dbraw/zinc/14/48/23/386144823.db2.gz YRQSZGLGKWYTRP-CQSZACIVSA-N 1 0 245.366 3.549 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCC1 ZINC000340530328 168046409 /nfs/dbraw/zinc/04/64/09/168046409.db2.gz ZEFAPKNCWCDOLE-AWEZNQCLSA-N 1 0 245.366 3.549 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCC1 ZINC000340530331 168044896 /nfs/dbraw/zinc/04/48/96/168044896.db2.gz ZEFAPKNCWCDOLE-CQSZACIVSA-N 1 0 245.366 3.549 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000340532560 386157047 /nfs/dbraw/zinc/15/70/47/386157047.db2.gz RPKORRUCPYDISL-KDDOJWQBSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000340532563 386156606 /nfs/dbraw/zinc/15/66/06/386156606.db2.gz RPKORRUCPYDISL-LJUAHTATSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000340532564 386155591 /nfs/dbraw/zinc/15/55/91/386155591.db2.gz RPKORRUCPYDISL-QWRKXWFKSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000340532567 386155325 /nfs/dbraw/zinc/15/53/25/386155325.db2.gz RPKORRUCPYDISL-RLCGTCKNSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340532910 176131865 /nfs/dbraw/zinc/13/18/65/176131865.db2.gz HNGUKUVQDJYTGM-BYCMXARLSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340532911 176151592 /nfs/dbraw/zinc/15/15/92/176151592.db2.gz HNGUKUVQDJYTGM-DFBGVHRSSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340532912 176150605 /nfs/dbraw/zinc/15/06/05/176150605.db2.gz HNGUKUVQDJYTGM-KCPJHIHWSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340532913 176132985 /nfs/dbraw/zinc/13/29/85/176132985.db2.gz HNGUKUVQDJYTGM-UGFHNGPFSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cc(F)cc(F)c1 ZINC000340533752 386155955 /nfs/dbraw/zinc/15/59/55/386155955.db2.gz XKIIVYPEPVIAPA-AQUOVQTQSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cc(F)cc(F)c1 ZINC000340533759 176923001 /nfs/dbraw/zinc/92/30/01/176923001.db2.gz XKIIVYPEPVIAPA-CKLFPEKLSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1cc(F)cc(F)c1 ZINC000340533762 386155624 /nfs/dbraw/zinc/15/56/24/386155624.db2.gz XKIIVYPEPVIAPA-HJIKLVIJSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cc(F)cc(F)c1 ZINC000340533765 386156634 /nfs/dbraw/zinc/15/66/34/386156634.db2.gz XKIIVYPEPVIAPA-ZEGGKSINSA-N 1 0 243.272 3.506 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)[C@]2(C)CCCO2)CCC1 ZINC000340538845 168600846 /nfs/dbraw/zinc/60/08/46/168600846.db2.gz WUYBPZPPCYXDPJ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H](C)[C@]2(C)CCCO2)CCC1 ZINC000340538847 386173265 /nfs/dbraw/zinc/17/32/65/386173265.db2.gz WUYBPZPPCYXDPJ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)CCC1 ZINC000340538848 386173886 /nfs/dbraw/zinc/17/38/86/386173886.db2.gz WUYBPZPPCYXDPJ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H](C)[C@@]2(C)CCCO2)CCC1 ZINC000340538850 386173607 /nfs/dbraw/zinc/17/36/07/386173607.db2.gz WUYBPZPPCYXDPJ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cc(C)on2)CCC1 ZINC000340538852 168601001 /nfs/dbraw/zinc/60/10/01/168601001.db2.gz WZMIQSCYXRZKDH-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cc(C)on2)CCC1 ZINC000340538854 386174950 /nfs/dbraw/zinc/17/49/50/386174950.db2.gz WZMIQSCYXRZKDH-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)C1)c1ccncc1 ZINC000340580450 386275457 /nfs/dbraw/zinc/27/54/57/386275457.db2.gz SDEWTTNMCWHLKA-GUTXKFCHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccncc1 ZINC000340580451 386275065 /nfs/dbraw/zinc/27/50/65/386275065.db2.gz SDEWTTNMCWHLKA-IPYPFGDCSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccncc1 ZINC000340580452 386274838 /nfs/dbraw/zinc/27/48/38/386274838.db2.gz 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PILOUMISTVEMDZ-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO CCSCC[N@H+](C)Cc1ccccc1Cl ZINC000340762177 386766450 /nfs/dbraw/zinc/76/64/50/386766450.db2.gz UWFXCPUHOIMUOE-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO CCSCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000340762186 170630827 /nfs/dbraw/zinc/63/08/27/170630827.db2.gz UYGIPVDQSGQHKT-UHFFFAOYSA-N 1 0 243.803 3.525 20 0 BHADRO CSCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000340811662 175494925 /nfs/dbraw/zinc/49/49/25/175494925.db2.gz FFVDENHOVRZTKK-UHFFFAOYSA-N 1 0 249.423 3.537 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000340841292 352677910 /nfs/dbraw/zinc/67/79/10/352677910.db2.gz FNYJLUYWRHBBFY-CYBMUJFWSA-N 1 0 248.370 3.707 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000340841293 386786518 /nfs/dbraw/zinc/78/65/18/386786518.db2.gz FNYJLUYWRHBBFY-ZDUSSCGKSA-N 1 0 248.370 3.707 20 0 BHADRO CSCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000340844353 386775826 /nfs/dbraw/zinc/77/58/26/386775826.db2.gz WPPMWOUVZBHYOM-KBPBESRZSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000340844355 386775750 /nfs/dbraw/zinc/77/57/50/386775750.db2.gz WPPMWOUVZBHYOM-KGLIPLIRSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000340844356 386774984 /nfs/dbraw/zinc/77/49/84/386774984.db2.gz WPPMWOUVZBHYOM-UONOGXRCSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000340844358 386775263 /nfs/dbraw/zinc/77/52/63/386775263.db2.gz WPPMWOUVZBHYOM-ZIAGYGMSSA-N 1 0 249.423 3.536 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000340846253 386774068 /nfs/dbraw/zinc/77/40/68/386774068.db2.gz JIDVOXCNFZOKKA-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC000340853763 352678569 /nfs/dbraw/zinc/67/85/69/352678569.db2.gz SNMZETCMKZROHR-CABCVRRESA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC000340853764 386789431 /nfs/dbraw/zinc/78/94/31/386789431.db2.gz SNMZETCMKZROHR-GJZGRUSLSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC000340853765 386788961 /nfs/dbraw/zinc/78/89/61/386788961.db2.gz SNMZETCMKZROHR-HUUCEWRRSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC000340853766 386789619 /nfs/dbraw/zinc/78/96/19/386789619.db2.gz SNMZETCMKZROHR-LSDHHAIUSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000340874401 352679131 /nfs/dbraw/zinc/67/91/31/352679131.db2.gz INSMQMBLGYXMCH-GFCCVEGCSA-N 1 0 248.370 3.564 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000340899991 177115316 /nfs/dbraw/zinc/11/53/16/177115316.db2.gz PCJNTWPIPKKPSO-NEPJUHHUSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ncc(C2CC2)o1 ZINC000340899992 177115026 /nfs/dbraw/zinc/11/50/26/177115026.db2.gz PCJNTWPIPKKPSO-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000340899993 177130559 /nfs/dbraw/zinc/13/05/59/177130559.db2.gz PCJNTWPIPKKPSO-RYUDHWBXSA-N 1 0 248.370 3.563 20 0 BHADRO CCC1(C)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340908726 386808781 /nfs/dbraw/zinc/80/87/81/386808781.db2.gz USNOINZXHGJZMB-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000340912872 386811624 /nfs/dbraw/zinc/81/16/24/386811624.db2.gz VRKVLZWNRBSBJN-CYBMUJFWSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000340912874 386810874 /nfs/dbraw/zinc/81/08/74/386810874.db2.gz VRKVLZWNRBSBJN-ZDUSSCGKSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC000340945803 386804523 /nfs/dbraw/zinc/80/45/23/386804523.db2.gz YWRCGZAHNIAYHQ-HRCADAONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC000340945806 171524902 /nfs/dbraw/zinc/52/49/02/171524902.db2.gz YWRCGZAHNIAYHQ-JYJNAYRXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccccc1 ZINC000340945808 386804236 /nfs/dbraw/zinc/80/42/36/386804236.db2.gz YWRCGZAHNIAYHQ-OWCLPIDISA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC000340945811 386804333 /nfs/dbraw/zinc/80/43/33/386804333.db2.gz YWRCGZAHNIAYHQ-PMPSAXMXSA-N 1 0 247.382 3.542 20 0 BHADRO CCSCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000340949988 386804860 /nfs/dbraw/zinc/80/48/60/386804860.db2.gz MEISMLIWOYZOCO-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000340953304 386804277 /nfs/dbraw/zinc/80/42/77/386804277.db2.gz QGWYMKDGDSEODH-AWEZNQCLSA-N 1 0 249.423 3.537 20 0 BHADRO CCSCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000340953307 386804695 /nfs/dbraw/zinc/80/46/95/386804695.db2.gz QGWYMKDGDSEODH-CQSZACIVSA-N 1 0 249.423 3.537 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCc2ccsc2C1 ZINC000341007828 179275867 /nfs/dbraw/zinc/27/58/67/179275867.db2.gz JNCIPENRJOGAIY-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO Cc1cccc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000341015558 179082577 /nfs/dbraw/zinc/08/25/77/179082577.db2.gz RFJOEJCAMUYDHT-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000341212833 386855555 /nfs/dbraw/zinc/85/55/55/386855555.db2.gz QULZDIXLQRRDCK-CMPLNLGQSA-N 1 0 245.288 3.926 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000341212859 386855471 /nfs/dbraw/zinc/85/54/71/386855471.db2.gz QULZDIXLQRRDCK-JQWIXIFHSA-N 1 0 245.288 3.926 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000341212865 386855931 /nfs/dbraw/zinc/85/59/31/386855931.db2.gz QULZDIXLQRRDCK-PWSUYJOCSA-N 1 0 245.288 3.926 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000341212870 386855940 /nfs/dbraw/zinc/85/59/40/386855940.db2.gz QULZDIXLQRRDCK-ZYHUDNBSSA-N 1 0 245.288 3.926 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000341232044 168276115 /nfs/dbraw/zinc/27/61/15/168276115.db2.gz YTIQIQKESLSHPW-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](CCO)c1ccccc1 ZINC000341232045 168278008 /nfs/dbraw/zinc/27/80/08/168278008.db2.gz YTIQIQKESLSHPW-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@H](CC)c1ccncc1 ZINC000341289376 386879056 /nfs/dbraw/zinc/87/90/56/386879056.db2.gz GSGHGWCVMLKJSD-IDTUSYRASA-N 1 0 232.371 3.821 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000341289387 386880087 /nfs/dbraw/zinc/88/00/87/386880087.db2.gz GSGHGWCVMLKJSD-XHPSBEMXSA-N 1 0 232.371 3.821 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccc(F)cn1 ZINC000341293423 168315465 /nfs/dbraw/zinc/31/54/65/168315465.db2.gz WVORSMSBHNRPTI-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CC/C=C/CC[N@H+](Cc1cccnc1)C(C)C ZINC000341294270 386863797 /nfs/dbraw/zinc/86/37/97/386863797.db2.gz KBNNIMGMBPTMFF-AATRIKPKSA-N 1 0 232.371 3.648 20 0 BHADRO CC/C=C\CC[N@H+](Cc1cccnc1)C(C)C ZINC000341294271 386864252 /nfs/dbraw/zinc/86/42/52/386864252.db2.gz KBNNIMGMBPTMFF-WAYWQWQTSA-N 1 0 232.371 3.648 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000341315386 386893349 /nfs/dbraw/zinc/89/33/49/386893349.db2.gz HXVMDQJNUFWOQR-PLNGDYQASA-N 1 0 244.338 3.616 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000341318458 386878773 /nfs/dbraw/zinc/87/87/73/386878773.db2.gz MGPSADKERKGDIX-SREVYHEPSA-N 1 0 246.398 3.541 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000341318461 386878733 /nfs/dbraw/zinc/87/87/33/386878733.db2.gz MGPSADKERKGDIX-VOTSOKGWSA-N 1 0 246.398 3.541 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+]CC1(C)CC1 ZINC000341318990 175582890 /nfs/dbraw/zinc/58/28/90/175582890.db2.gz XRWXIFIDQQRYGQ-GFCCVEGCSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+]CC1(C)CC1 ZINC000341318992 386879379 /nfs/dbraw/zinc/87/93/79/386879379.db2.gz XRWXIFIDQQRYGQ-LBPRGKRZSA-N 1 0 249.423 3.729 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCC[C@@H](SC)C1 ZINC000341320417 386879926 /nfs/dbraw/zinc/87/99/26/386879926.db2.gz PISMGFFBBWWWPW-DSYXLKISSA-N 1 0 227.417 3.560 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCC[C@H](SC)C1 ZINC000341320428 386878381 /nfs/dbraw/zinc/87/83/81/386878381.db2.gz PISMGFFBBWWWPW-IHVVCDCBSA-N 1 0 227.417 3.560 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCC[C@@H](SC)C1 ZINC000341320437 386879369 /nfs/dbraw/zinc/87/93/69/386879369.db2.gz PISMGFFBBWWWPW-MUBLQREKSA-N 1 0 227.417 3.560 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCC[C@H](SC)C1 ZINC000341320441 386879835 /nfs/dbraw/zinc/87/98/35/386879835.db2.gz PISMGFFBBWWWPW-ZFDPJTLLSA-N 1 0 227.417 3.560 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](CCO)c1ccccc1 ZINC000341403409 386903234 /nfs/dbraw/zinc/90/32/34/386903234.db2.gz UVKLKMRXELBHSB-INIZCTEOSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC(CCC)[NH2+][C@H](CCO)c1ccccc1 ZINC000341403417 386904461 /nfs/dbraw/zinc/90/44/61/386904461.db2.gz UVKLKMRXELBHSB-MRXNPFEDSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)(C)C[C@@H]([NH2+]CCF)c1ccc(F)cc1 ZINC000341450298 386905848 /nfs/dbraw/zinc/90/58/48/386905848.db2.gz IWJASILJWXBRLT-CYBMUJFWSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)(C)C[C@H]([NH2+]CCF)c1ccc(F)cc1 ZINC000341450299 386905586 /nfs/dbraw/zinc/90/55/86/386905586.db2.gz IWJASILJWXBRLT-ZDUSSCGKSA-N 1 0 241.325 3.862 20 0 BHADRO Fc1ccccc1-c1ccc(C[NH2+]C2CCC2)o1 ZINC000341455227 181008895 /nfs/dbraw/zinc/00/88/95/181008895.db2.gz DOWBSANAHMMZAG-UHFFFAOYSA-N 1 0 245.297 3.728 20 0 BHADRO Cc1occc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000341496979 386914864 /nfs/dbraw/zinc/91/48/64/386914864.db2.gz JCXARPFFKBKXMX-UHFFFAOYSA-N 1 0 241.334 3.624 20 0 BHADRO C[C@H](CSCc1ccccc1C1CC1)[NH+](C)C ZINC000341527674 386920403 /nfs/dbraw/zinc/92/04/03/386920403.db2.gz BSKHHDNXSRTMBW-GFCCVEGCSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@@H](CSCc1ccccc1C1CC1)[NH+](C)C ZINC000341527686 175764616 /nfs/dbraw/zinc/76/46/16/175764616.db2.gz BSKHHDNXSRTMBW-LBPRGKRZSA-N 1 0 249.423 3.747 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000341540700 386923096 /nfs/dbraw/zinc/92/30/96/386923096.db2.gz DLYYKMZJXZRKNQ-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000341540703 386923491 /nfs/dbraw/zinc/92/34/91/386923491.db2.gz DLYYKMZJXZRKNQ-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000341540705 386922933 /nfs/dbraw/zinc/92/29/33/386922933.db2.gz DLYYKMZJXZRKNQ-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000341540707 386922433 /nfs/dbraw/zinc/92/24/33/386922433.db2.gz DLYYKMZJXZRKNQ-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO CC1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341541944 168041479 /nfs/dbraw/zinc/04/14/79/168041479.db2.gz GPJOLRLOSOQNDF-UHFFFAOYSA-N 1 0 249.320 3.745 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000341562271 386918245 /nfs/dbraw/zinc/91/82/45/386918245.db2.gz FEYFCOGXQVHJBL-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO C[N@H+](CCCSCc1ccccc1)C1CCC1 ZINC000341573699 386939180 /nfs/dbraw/zinc/93/91/80/386939180.db2.gz JFLKRHPJYLLPIA-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2)s1 ZINC000341577836 386925970 /nfs/dbraw/zinc/92/59/70/386925970.db2.gz OIMHPNORPWDNGV-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO CC[NH+](CC)CCCSCc1ccccc1 ZINC000341596183 386929777 /nfs/dbraw/zinc/92/97/77/386929777.db2.gz DVGUICHDYDHODS-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCCSCc1ccccc1 ZINC000341598402 177109525 /nfs/dbraw/zinc/10/95/25/177109525.db2.gz YLNAWZIKCNUYQJ-AWEZNQCLSA-N 1 0 249.423 3.794 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCCSCc1ccccc1 ZINC000341598407 176109398 /nfs/dbraw/zinc/10/93/98/176109398.db2.gz YLNAWZIKCNUYQJ-CQSZACIVSA-N 1 0 249.423 3.794 20 0 BHADRO CC[N@H+](CCCSCc1ccccc1)C1CC1 ZINC000341603655 386931977 /nfs/dbraw/zinc/93/19/77/386931977.db2.gz OBNPPLRFNJUCCO-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000341631588 386944768 /nfs/dbraw/zinc/94/47/68/386944768.db2.gz QSHBFOIKOFSYRK-AWEZNQCLSA-N 1 0 235.371 3.926 20 0 BHADRO CCCC[NH2+][C@H](CC)c1ccccc1OCC ZINC000341631592 168876937 /nfs/dbraw/zinc/87/69/37/168876937.db2.gz QSHBFOIKOFSYRK-CQSZACIVSA-N 1 0 235.371 3.926 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]CC1CCC1 ZINC000341654717 386951277 /nfs/dbraw/zinc/95/12/77/386951277.db2.gz GHFHOKGXPFLZDO-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC1CCC1 ZINC000341654718 386951214 /nfs/dbraw/zinc/95/12/14/386951214.db2.gz GHFHOKGXPFLZDO-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]CCC1CC1 ZINC000341657238 386950349 /nfs/dbraw/zinc/95/03/49/386950349.db2.gz KKBMKOCPQUYSAW-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@@H](CC)[NH2+]CCC1CC1 ZINC000341657240 386951320 /nfs/dbraw/zinc/95/13/20/386951320.db2.gz KKBMKOCPQUYSAW-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000341662086 171317332 /nfs/dbraw/zinc/31/73/32/171317332.db2.gz SUIYGYPUHNWFFF-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000341662088 386940468 /nfs/dbraw/zinc/94/04/68/386940468.db2.gz SUIYGYPUHNWFFF-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000341662089 171317817 /nfs/dbraw/zinc/31/78/17/171317817.db2.gz SUIYGYPUHNWFFF-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000341662090 386939034 /nfs/dbraw/zinc/93/90/34/386939034.db2.gz SUIYGYPUHNWFFF-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1CC1 ZINC000341684627 538033339 /nfs/dbraw/zinc/03/33/39/538033339.db2.gz PMFOWDQTOKXLAK-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1CC1 ZINC000341684632 538033253 /nfs/dbraw/zinc/03/32/53/538033253.db2.gz PMFOWDQTOKXLAK-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000341685146 386951052 /nfs/dbraw/zinc/95/10/52/386951052.db2.gz QYLPCYHNGZWYMH-GDBMZVCRSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000341685151 386950956 /nfs/dbraw/zinc/95/09/56/386950956.db2.gz QYLPCYHNGZWYMH-GOEBONIOSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000341685153 386949847 /nfs/dbraw/zinc/94/98/47/386949847.db2.gz QYLPCYHNGZWYMH-HOCLYGCPSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000341685155 180984484 /nfs/dbraw/zinc/98/44/84/180984484.db2.gz QYLPCYHNGZWYMH-ZBFHGGJFSA-N 1 0 245.341 3.901 20 0 BHADRO CCOCC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000341686824 386949682 /nfs/dbraw/zinc/94/96/82/386949682.db2.gz WJUZHOUKBFSODK-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000341686825 170414949 /nfs/dbraw/zinc/41/49/49/170414949.db2.gz WJUZHOUKBFSODK-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000341705383 174249571 /nfs/dbraw/zinc/24/95/71/174249571.db2.gz NVLIHKPMSPXSLS-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000341705384 174251391 /nfs/dbraw/zinc/25/13/91/174251391.db2.gz NVLIHKPMSPXSLS-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000341707923 168046688 /nfs/dbraw/zinc/04/66/88/168046688.db2.gz SIJVJICMHDWUOF-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000341707924 168044950 /nfs/dbraw/zinc/04/49/50/168044950.db2.gz SIJVJICMHDWUOF-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC(F)(F)CC2)o1 ZINC000341710425 386954814 /nfs/dbraw/zinc/95/48/14/386954814.db2.gz HZOIAHMYTLWDPS-UHFFFAOYSA-N 1 0 243.297 3.510 20 0 BHADRO Cc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000341718559 179090119 /nfs/dbraw/zinc/09/01/19/179090119.db2.gz ZKPJWYRZKNPQQP-UHFFFAOYSA-N 1 0 239.309 3.663 20 0 BHADRO Cc1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000341720078 179281709 /nfs/dbraw/zinc/28/17/09/179281709.db2.gz XZVAKOQTRHYVNK-UHFFFAOYSA-N 1 0 239.309 3.663 20 0 BHADRO FC(F)CN(Cc1ccccc1)CC1CCC1 ZINC000341750077 386959477 /nfs/dbraw/zinc/95/94/77/386959477.db2.gz JZSLKNVDJBHZKX-UHFFFAOYSA-N 1 0 239.309 3.554 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCC1 ZINC000341758845 180984538 /nfs/dbraw/zinc/98/45/38/180984538.db2.gz DQVDAUNELLMXFK-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCC1 ZINC000341758847 386961158 /nfs/dbraw/zinc/96/11/58/386961158.db2.gz DQVDAUNELLMXFK-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCC2 ZINC000341786844 386966538 /nfs/dbraw/zinc/96/65/38/386966538.db2.gz TUQJQJBGOGVZRO-INIZCTEOSA-N 1 0 229.367 3.939 20 0 BHADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCC2 ZINC000341787045 167625170 /nfs/dbraw/zinc/62/51/70/167625170.db2.gz TUQJQJBGOGVZRO-MRXNPFEDSA-N 1 0 229.367 3.939 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC000341806357 167369409 /nfs/dbraw/zinc/36/94/09/167369409.db2.gz GWILTQVKMSZMEM-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC000341806359 386970622 /nfs/dbraw/zinc/97/06/22/386970622.db2.gz GWILTQVKMSZMEM-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000341811703 167368565 /nfs/dbraw/zinc/36/85/65/167368565.db2.gz VSJXRLKCKBNSHS-LLVKDONJSA-N 1 0 248.395 3.773 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000341811704 386974253 /nfs/dbraw/zinc/97/42/53/386974253.db2.gz VSJXRLKCKBNSHS-NSHDSACASA-N 1 0 248.395 3.773 20 0 BHADRO FCCCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000341829807 386969055 /nfs/dbraw/zinc/96/90/55/386969055.db2.gz DKYGEHJHPAUOBE-UHFFFAOYSA-N 1 0 235.346 3.791 20 0 BHADRO Cc1ccccc1C[N@H+](C)CCCCCF ZINC000341831334 179269590 /nfs/dbraw/zinc/26/95/90/179269590.db2.gz IPDQTUAKNQRIAM-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO CC[N@H+](CCCCCF)Cc1cccs1 ZINC000341833503 386970666 /nfs/dbraw/zinc/97/06/66/386970666.db2.gz DQNWLSJVJODJFE-UHFFFAOYSA-N 1 0 229.364 3.710 20 0 BHADRO CC1CCC([N@H+](C)CCCCCF)CC1 ZINC000341833710 168157737 /nfs/dbraw/zinc/15/77/37/168157737.db2.gz PMEVUKKFBUIXBC-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000341834208 168829052 /nfs/dbraw/zinc/82/90/52/168829052.db2.gz IJMXXQJQYQOMCJ-UHFFFAOYSA-N 1 0 234.387 3.542 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(C)(C)C)on1 ZINC000341834308 178266796 /nfs/dbraw/zinc/26/67/96/178266796.db2.gz RXBXEJGMIHVRML-GFCCVEGCSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(C)(C)C)on1 ZINC000341834310 178240730 /nfs/dbraw/zinc/24/07/30/178240730.db2.gz RXBXEJGMIHVRML-LBPRGKRZSA-N 1 0 236.359 3.556 20 0 BHADRO FCCCCC[N@H+](Cc1cccs1)C1CC1 ZINC000341835106 386970976 /nfs/dbraw/zinc/97/09/76/386970976.db2.gz LJUDYOXTQFNNHP-UHFFFAOYSA-N 1 0 241.375 3.852 20 0 BHADRO Cc1ccsc1C[N@H+](C)CCCCCF ZINC000341835752 386972341 /nfs/dbraw/zinc/97/23/41/386972341.db2.gz PNKWZGGGDVMAQX-UHFFFAOYSA-N 1 0 229.364 3.628 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)c(C)s1 ZINC000341835956 386972559 /nfs/dbraw/zinc/97/25/59/386972559.db2.gz LBLPHXOQQCIFRO-LLVKDONJSA-N 1 0 225.401 3.841 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c(C)s1 ZINC000341835959 386972012 /nfs/dbraw/zinc/97/20/12/386972012.db2.gz LBLPHXOQQCIFRO-NSHDSACASA-N 1 0 225.401 3.841 20 0 BHADRO CC[N@H+](CCCCCF)Cc1ccccc1 ZINC000341837444 386977446 /nfs/dbraw/zinc/97/74/46/386977446.db2.gz VLNHNSCCMAVURM-UHFFFAOYSA-N 1 0 223.335 3.648 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCCCC2)on1 ZINC000341841262 386976644 /nfs/dbraw/zinc/97/66/44/386976644.db2.gz RDKRPMROTRNFAN-UHFFFAOYSA-N 1 0 236.359 3.526 20 0 BHADRO CCCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000341847490 386980105 /nfs/dbraw/zinc/98/01/05/386980105.db2.gz XRVMCDNGFMSRNO-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCCCCF ZINC000341874009 386981355 /nfs/dbraw/zinc/98/13/55/386981355.db2.gz IBGVARFLSNZQMG-CYBMUJFWSA-N 1 0 235.346 3.573 20 0 BHADRO C[C@H]1Cc2ccccc2C[N@@H+]1CCCCCF ZINC000341874010 177389720 /nfs/dbraw/zinc/38/97/20/177389720.db2.gz IBGVARFLSNZQMG-ZDUSSCGKSA-N 1 0 235.346 3.573 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC000341875600 386983023 /nfs/dbraw/zinc/98/30/23/386983023.db2.gz WWMRFGHRYJJQNE-CHWSQXEVSA-N 1 0 247.423 3.732 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC000341875606 386982147 /nfs/dbraw/zinc/98/21/47/386982147.db2.gz WWMRFGHRYJJQNE-OLZOCXBDSA-N 1 0 247.423 3.732 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC000341875607 386982585 /nfs/dbraw/zinc/98/25/85/386982585.db2.gz WWMRFGHRYJJQNE-QWHCGFSZSA-N 1 0 247.423 3.732 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC000341875609 386982384 /nfs/dbraw/zinc/98/23/84/386982384.db2.gz WWMRFGHRYJJQNE-STQMWFEESA-N 1 0 247.423 3.732 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCCCF)s1 ZINC000341878429 187356264 /nfs/dbraw/zinc/35/62/64/187356264.db2.gz UKEXICPPMALWLF-UHFFFAOYSA-N 1 0 229.364 3.628 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000341880033 386985690 /nfs/dbraw/zinc/98/56/90/386985690.db2.gz ZCIYRGRJKPSIPM-AWEZNQCLSA-N 1 0 221.319 3.573 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000341880034 386985651 /nfs/dbraw/zinc/98/56/51/386985651.db2.gz ZCIYRGRJKPSIPM-CQSZACIVSA-N 1 0 221.319 3.573 20 0 BHADRO CCS[C@@H]1CCCC[N@H+](CCCCCF)C1 ZINC000341890800 386983568 /nfs/dbraw/zinc/98/35/68/386983568.db2.gz MVMLFCAPSUZBDP-CYBMUJFWSA-N 1 0 247.423 3.734 20 0 BHADRO CCS[C@H]1CCCC[N@H+](CCCCCF)C1 ZINC000341890803 386983655 /nfs/dbraw/zinc/98/36/55/386983655.db2.gz MVMLFCAPSUZBDP-ZDUSSCGKSA-N 1 0 247.423 3.734 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CCCCCF ZINC000341893717 386995458 /nfs/dbraw/zinc/99/54/58/386995458.db2.gz SICGAAJYOFPZRV-GFCCVEGCSA-N 1 0 221.319 3.703 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CCCCCF ZINC000341893718 386994639 /nfs/dbraw/zinc/99/46/39/386994639.db2.gz SICGAAJYOFPZRV-LBPRGKRZSA-N 1 0 221.319 3.703 20 0 BHADRO CCCCOC1CC[NH+](CCC(C)(C)C)CC1 ZINC000341897030 386995236 /nfs/dbraw/zinc/99/52/36/386995236.db2.gz PWQFEQZCERTKNJ-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCCF)CC12CCC2 ZINC000341902588 176168317 /nfs/dbraw/zinc/16/83/17/176168317.db2.gz FUHMRXQDSJYRQN-CYBMUJFWSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@H]1CC[N@H+](CCCCCF)CC12CCC2 ZINC000341902589 177160341 /nfs/dbraw/zinc/16/03/41/177160341.db2.gz FUHMRXQDSJYRQN-ZDUSSCGKSA-N 1 0 227.367 3.638 20 0 BHADRO FCCCCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000341902669 386987166 /nfs/dbraw/zinc/98/71/66/386987166.db2.gz AWULEEOQCGJTDZ-UHFFFAOYSA-N 1 0 247.357 3.674 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000341904254 171367810 /nfs/dbraw/zinc/36/78/10/171367810.db2.gz YJHOZOWEWIKXAO-GUTXKFCHSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000341904256 171366637 /nfs/dbraw/zinc/36/66/37/171366637.db2.gz YJHOZOWEWIKXAO-GZBFAFLISA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000341904257 171390629 /nfs/dbraw/zinc/39/06/29/171390629.db2.gz YJHOZOWEWIKXAO-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000341904258 171391373 /nfs/dbraw/zinc/39/13/73/171391373.db2.gz YJHOZOWEWIKXAO-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000341905658 166572539 /nfs/dbraw/zinc/57/25/39/166572539.db2.gz GNJRTXQDNLQULA-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000341905659 386988505 /nfs/dbraw/zinc/98/85/05/386988505.db2.gz GNJRTXQDNLQULA-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000341908634 177208048 /nfs/dbraw/zinc/20/80/48/177208048.db2.gz MMEZHZDYVDDCJJ-KBPBESRZSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000341908635 176238139 /nfs/dbraw/zinc/23/81/39/176238139.db2.gz MMEZHZDYVDDCJJ-KGLIPLIRSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@H]1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000341908636 177196684 /nfs/dbraw/zinc/19/66/84/177196684.db2.gz MMEZHZDYVDDCJJ-UONOGXRCSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC000341908637 176218834 /nfs/dbraw/zinc/21/88/34/176218834.db2.gz MMEZHZDYVDDCJJ-ZIAGYGMSSA-N 1 0 227.367 3.638 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CCC(C)(C)C)cn1 ZINC000341908898 386990423 /nfs/dbraw/zinc/99/04/23/386990423.db2.gz GQWLWWAIPPUNQQ-GFCCVEGCSA-N 1 0 237.391 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CCC(C)(C)C)cn1 ZINC000341908899 167757821 /nfs/dbraw/zinc/75/78/21/167757821.db2.gz GQWLWWAIPPUNQQ-LBPRGKRZSA-N 1 0 237.391 3.551 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)CCCCCF ZINC000341909198 386990859 /nfs/dbraw/zinc/99/08/59/386990859.db2.gz OLJNFKFDBQOOMY-GFCCVEGCSA-N 1 0 235.412 3.590 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)CCCCCF ZINC000341909199 386990546 /nfs/dbraw/zinc/99/05/46/386990546.db2.gz OLJNFKFDBQOOMY-LBPRGKRZSA-N 1 0 235.412 3.590 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CCC(C)(C)C)cn1 ZINC000341911955 188218098 /nfs/dbraw/zinc/21/80/98/188218098.db2.gz OVZATULKPIZKTE-UHFFFAOYSA-N 1 0 234.387 3.651 20 0 BHADRO c1ccc(C2=CCC[N@@H+](CC3CCC3)C2)cc1 ZINC000341971744 387010085 /nfs/dbraw/zinc/01/00/85/387010085.db2.gz FCXMGIATHAOMIF-UHFFFAOYSA-N 1 0 227.351 3.576 20 0 BHADRO CSCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341983720 411504092 /nfs/dbraw/zinc/50/40/92/411504092.db2.gz UTHLQBDNWPZVDX-UHFFFAOYSA-N 1 0 247.407 3.529 20 0 BHADRO CCSCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341992898 385914608 /nfs/dbraw/zinc/91/46/08/385914608.db2.gz QRVVCINTQNIPQG-UHFFFAOYSA-N 1 0 247.407 3.529 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000342001104 387014042 /nfs/dbraw/zinc/01/40/42/387014042.db2.gz ZAUJRFAFFYEUGD-HNNXBMFYSA-N 1 0 233.330 3.524 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000342001106 387013623 /nfs/dbraw/zinc/01/36/23/387013623.db2.gz ZAUJRFAFFYEUGD-OAHLLOKOSA-N 1 0 233.330 3.524 20 0 BHADRO c1ccc(C2=CCC[N@@H+](CCC3CC3)C2)cc1 ZINC000342015539 188399325 /nfs/dbraw/zinc/39/93/25/188399325.db2.gz LACDCUPQOLKGFL-UHFFFAOYSA-N 1 0 227.351 3.576 20 0 BHADRO Cc1cccc(C[N@H+]2CCCC[C@H]2CC(C)C)n1 ZINC000342034000 179074531 /nfs/dbraw/zinc/07/45/31/179074531.db2.gz DOTCRLZDFLKCTH-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccc(C[N@H+]2CCCC[C@@H]2CC(C)C)n1 ZINC000342034001 179072969 /nfs/dbraw/zinc/07/29/69/179072969.db2.gz DOTCRLZDFLKCTH-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCSc1ccccc1 ZINC000342034808 177186473 /nfs/dbraw/zinc/18/64/73/177186473.db2.gz FOZDUHJBWRBTRY-BETUJISGSA-N 1 0 235.396 3.652 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCSc1ccccc1 ZINC000342034810 176200012 /nfs/dbraw/zinc/20/00/12/176200012.db2.gz FOZDUHJBWRBTRY-CHWSQXEVSA-N 1 0 235.396 3.652 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCSc1ccccc1 ZINC000342034811 177199040 /nfs/dbraw/zinc/19/90/40/177199040.db2.gz FOZDUHJBWRBTRY-STQMWFEESA-N 1 0 235.396 3.652 20 0 BHADRO CC(C)SCC[NH2+]Cc1ccc2occc2c1 ZINC000342081333 167330905 /nfs/dbraw/zinc/33/09/05/167330905.db2.gz ZMEIENPKZUNZGL-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO CO[C@H](C)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342096765 385927202 /nfs/dbraw/zinc/92/72/02/385927202.db2.gz JFTBXEMJJREFRY-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H](C)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342096769 385926809 /nfs/dbraw/zinc/92/68/09/385926809.db2.gz JFTBXEMJJREFRY-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342101398 174247171 /nfs/dbraw/zinc/24/71/71/174247171.db2.gz QSYWHQLETGFAMP-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000342102539 167330584 /nfs/dbraw/zinc/33/05/84/167330584.db2.gz LCRBQHYDMLYWKC-CABCVRRESA-N 1 0 249.423 3.521 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000342102541 167330380 /nfs/dbraw/zinc/33/03/80/167330380.db2.gz LCRBQHYDMLYWKC-GJZGRUSLSA-N 1 0 249.423 3.521 20 0 BHADRO CC(C)SCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000342102543 167329779 /nfs/dbraw/zinc/32/97/79/167329779.db2.gz LCRBQHYDMLYWKC-HUUCEWRRSA-N 1 0 249.423 3.521 20 0 BHADRO CC(C)SCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000342102545 167329754 /nfs/dbraw/zinc/32/97/54/167329754.db2.gz LCRBQHYDMLYWKC-LSDHHAIUSA-N 1 0 249.423 3.521 20 0 BHADRO C[N@H+](CCCCCF)Cc1cc(F)cc(F)c1 ZINC000342120780 385931993 /nfs/dbraw/zinc/93/19/93/385931993.db2.gz FIYUEQZYNXDFEP-UHFFFAOYSA-N 1 0 245.288 3.536 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000342122759 385932998 /nfs/dbraw/zinc/93/29/98/385932998.db2.gz GGOSSIYKIYCGKV-AWEZNQCLSA-N 1 0 247.382 3.795 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000342122760 385931532 /nfs/dbraw/zinc/93/15/32/385931532.db2.gz GGOSSIYKIYCGKV-CQSZACIVSA-N 1 0 247.382 3.795 20 0 BHADRO C[N@H+](CCCCCF)Cc1cccc2[nH]ccc21 ZINC000342131069 411504557 /nfs/dbraw/zinc/50/45/57/411504557.db2.gz PORYUHMQXUFITD-UHFFFAOYSA-N 1 0 248.345 3.740 20 0 BHADRO CCOCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342152473 385946262 /nfs/dbraw/zinc/94/62/62/385946262.db2.gz BAGWMTKXULVBMF-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)[N@H+](CCCCCF)CC1CCC1 ZINC000342181003 187356501 /nfs/dbraw/zinc/35/65/01/187356501.db2.gz YVCWFPOGUYKYCP-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000342181512 385939433 /nfs/dbraw/zinc/93/94/33/385939433.db2.gz BXFARKGBIRLLTB-NQHOJNORSA-N 1 0 218.344 3.508 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000342181513 385940561 /nfs/dbraw/zinc/94/05/61/385940561.db2.gz BXFARKGBIRLLTB-VQTKUKTRSA-N 1 0 218.344 3.508 20 0 BHADRO Cc1cc(C[NH2+]CCC2(F)CCC2)ccc1F ZINC000342199144 178020395 /nfs/dbraw/zinc/02/03/95/178020395.db2.gz DBAXNOXMNFTJAK-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO FC1(CC[NH2+]Cc2ccc3occc3c2)CCC1 ZINC000342199283 180913660 /nfs/dbraw/zinc/91/36/60/180913660.db2.gz DVVMPWJCUGBXMJ-UHFFFAOYSA-N 1 0 247.313 3.805 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000342201538 385957949 /nfs/dbraw/zinc/95/79/49/385957949.db2.gz KMFNPEPGONHXOX-NQHOJNORSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000342201545 385956427 /nfs/dbraw/zinc/95/64/27/385956427.db2.gz KMFNPEPGONHXOX-RDFMZFSFSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000342201547 385955377 /nfs/dbraw/zinc/95/53/77/385955377.db2.gz KMFNPEPGONHXOX-VQTKUKTRSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000342201548 385956756 /nfs/dbraw/zinc/95/67/56/385956756.db2.gz KMFNPEPGONHXOX-XGACYXMMSA-N 1 0 207.361 3.607 20 0 BHADRO Cc1ccc(C[NH2+]CCC2(F)CCC2)cc1F ZINC000342203121 178604333 /nfs/dbraw/zinc/60/43/33/178604333.db2.gz HJTQDONLCYWDFX-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO FC1(CC[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000342212325 385959938 /nfs/dbraw/zinc/95/99/38/385959938.db2.gz NLVUOWCEHLRTQL-XBXARRHUSA-N 1 0 233.330 3.572 20 0 BHADRO FC1(CC[NH2+]C/C=C\c2ccccc2)CCC1 ZINC000342212337 180912660 /nfs/dbraw/zinc/91/26/60/180912660.db2.gz NLVUOWCEHLRTQL-YWEYNIOJSA-N 1 0 233.330 3.572 20 0 BHADRO CC/C=C\CC[NH+]1CCC(OCCCC)CC1 ZINC000342214758 385960456 /nfs/dbraw/zinc/96/04/56/385960456.db2.gz NMHUCJDCAZGRTK-ALCCZGGFSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C/CC[NH+]1CCC(OCCCC)CC1 ZINC000342214760 385959648 /nfs/dbraw/zinc/95/96/48/385959648.db2.gz NMHUCJDCAZGRTK-FNORWQNLSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1cccs1 ZINC000342215613 385959777 /nfs/dbraw/zinc/95/97/77/385959777.db2.gz FBTRLOVYSVEFCV-PLNGDYQASA-N 1 0 209.358 3.536 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1cccs1 ZINC000342215615 385960498 /nfs/dbraw/zinc/96/04/98/385960498.db2.gz FBTRLOVYSVEFCV-SNAWJCMRSA-N 1 0 209.358 3.536 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000342216211 352740601 /nfs/dbraw/zinc/74/06/01/352740601.db2.gz PTPOQMXLKFTTCQ-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000342216221 188218402 /nfs/dbraw/zinc/21/84/02/188218402.db2.gz PTPOQMXLKFTTCQ-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO FC1(CC[NH2+]Cc2coc3ccccc23)CCC1 ZINC000342219783 385963650 /nfs/dbraw/zinc/96/36/50/385963650.db2.gz KCWULVDXOFXRPF-UHFFFAOYSA-N 1 0 247.313 3.805 20 0 BHADRO FC1(CC[NH2+]Cc2cccc3cc[nH]c32)CCC1 ZINC000342219977 385963210 /nfs/dbraw/zinc/96/32/10/385963210.db2.gz SLVHYFRXEBQHAT-UHFFFAOYSA-N 1 0 246.329 3.540 20 0 BHADRO FCC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000342221194 385963036 /nfs/dbraw/zinc/96/30/36/385963036.db2.gz KSTLERBNUPINNB-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000342221197 385962854 /nfs/dbraw/zinc/96/28/54/385962854.db2.gz KSTLERBNUPINNB-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO FC1(CC[NH2+]Cc2cc3ccccc3o2)CCC1 ZINC000342222469 385962078 /nfs/dbraw/zinc/96/20/78/385962078.db2.gz LQIAUJVKCSRBRA-UHFFFAOYSA-N 1 0 247.313 3.805 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000342223429 352741139 /nfs/dbraw/zinc/74/11/39/352741139.db2.gz HRPURECYFHNPJU-AWEZNQCLSA-N 1 0 247.313 3.850 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000342223434 187356653 /nfs/dbraw/zinc/35/66/53/187356653.db2.gz HRPURECYFHNPJU-CQSZACIVSA-N 1 0 247.313 3.850 20 0 BHADRO FC1(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000342225285 135253138 /nfs/dbraw/zinc/25/31/38/135253138.db2.gz NQJSSWTVPCSEBL-CABCVRRESA-N 1 0 247.357 3.662 20 0 BHADRO FC1(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000342225286 135253017 /nfs/dbraw/zinc/25/30/17/135253017.db2.gz NQJSSWTVPCSEBL-GJZGRUSLSA-N 1 0 247.357 3.662 20 0 BHADRO FC1(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000342225287 135253173 /nfs/dbraw/zinc/25/31/73/135253173.db2.gz NQJSSWTVPCSEBL-HUUCEWRRSA-N 1 0 247.357 3.662 20 0 BHADRO FC1(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000342225288 135253051 /nfs/dbraw/zinc/25/30/51/135253051.db2.gz NQJSSWTVPCSEBL-LSDHHAIUSA-N 1 0 247.357 3.662 20 0 BHADRO CC/C=C/CC[N@H+](Cc1ccco1)C(C)C ZINC000342227060 135253922 /nfs/dbraw/zinc/25/39/22/135253922.db2.gz CAIUSHLNBIFTOP-AATRIKPKSA-N 1 0 221.344 3.846 20 0 BHADRO CC/C=C\CC[N@H+](Cc1ccco1)C(C)C ZINC000342227061 135253486 /nfs/dbraw/zinc/25/34/86/135253486.db2.gz CAIUSHLNBIFTOP-WAYWQWQTSA-N 1 0 221.344 3.846 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCC2(F)CCC2)c1 ZINC000342227913 135253909 /nfs/dbraw/zinc/25/39/09/135253909.db2.gz LFQSUVMKMYHESM-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO FC1(CC[NH2+]Cc2cccc3[nH]ccc32)CCC1 ZINC000342228631 135253603 /nfs/dbraw/zinc/25/36/03/135253603.db2.gz YVRYJBLHICVEIA-UHFFFAOYSA-N 1 0 246.329 3.540 20 0 BHADRO CC/C=C\CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000342233149 135254770 /nfs/dbraw/zinc/25/47/70/135254770.db2.gz OVFYNXZPOHUBEX-SREVYHEPSA-N 1 0 239.403 3.622 20 0 BHADRO CC/C=C/CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000342233151 135254318 /nfs/dbraw/zinc/25/43/18/135254318.db2.gz OVFYNXZPOHUBEX-VOTSOKGWSA-N 1 0 239.403 3.622 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]CCC1(F)CCC1 ZINC000342233961 135254536 /nfs/dbraw/zinc/25/45/36/135254536.db2.gz PVJBUQTUWVJDKA-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]CCC1(F)CCC1 ZINC000342238116 135255569 /nfs/dbraw/zinc/25/55/69/135255569.db2.gz XLBGDFAXXTXUFQ-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@H](C)c1ccco1 ZINC000342242826 346557711 /nfs/dbraw/zinc/55/77/11/346557711.db2.gz VTWSZKBZPQRRIT-FOQNGQEVSA-N 1 0 207.317 3.629 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000342251062 343726751 /nfs/dbraw/zinc/72/67/51/343726751.db2.gz QOCABTLUSXSOPN-FOSCPCJNSA-N 1 0 232.371 3.518 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000342251078 343726770 /nfs/dbraw/zinc/72/67/70/343726770.db2.gz QOCABTLUSXSOPN-XVWMLYKFSA-N 1 0 232.371 3.518 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000342255321 365540872 /nfs/dbraw/zinc/54/08/72/365540872.db2.gz XMZHUAGOEROQEW-CFHLNLSMSA-N 1 0 233.355 3.741 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000342255322 365540923 /nfs/dbraw/zinc/54/09/23/365540923.db2.gz XMZHUAGOEROQEW-SZZPACECSA-N 1 0 233.355 3.741 20 0 BHADRO CSCCCSCC[NH+](C(C)C)C(C)C ZINC000342264516 135259550 /nfs/dbraw/zinc/25/95/50/135259550.db2.gz IHQZKKSLIGXWEM-UHFFFAOYSA-N 1 0 249.489 3.592 20 0 BHADRO CC(C)[NH+](CCSCC1CCC1)C(C)C ZINC000342265339 535071695 /nfs/dbraw/zinc/07/16/95/535071695.db2.gz LZSLNZJSZSWZQF-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H](C)SCC[NH+](C(C)C)C(C)C ZINC000342266806 135259541 /nfs/dbraw/zinc/25/95/41/135259541.db2.gz PZOFVMDCYAZYHD-GFCCVEGCSA-N 1 0 217.422 3.637 20 0 BHADRO CC[C@H](C)SCC[NH+](C(C)C)C(C)C ZINC000342266808 135259687 /nfs/dbraw/zinc/25/96/87/135259687.db2.gz PZOFVMDCYAZYHD-LBPRGKRZSA-N 1 0 217.422 3.637 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342270240 135259457 /nfs/dbraw/zinc/25/94/57/135259457.db2.gz APYPJFLIKCMSCY-NEPJUHHUSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342270242 135259673 /nfs/dbraw/zinc/25/96/73/135259673.db2.gz APYPJFLIKCMSCY-NWDGAFQWSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342270244 135259382 /nfs/dbraw/zinc/25/93/82/135259382.db2.gz APYPJFLIKCMSCY-RYUDHWBXSA-N 1 0 247.313 3.721 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342270248 135259841 /nfs/dbraw/zinc/25/98/41/135259841.db2.gz APYPJFLIKCMSCY-VXGBXAGGSA-N 1 0 247.313 3.721 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000342275199 135260492 /nfs/dbraw/zinc/26/04/92/135260492.db2.gz AOXICCDGOXRMTI-NEPJUHHUSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000342275200 135260631 /nfs/dbraw/zinc/26/06/31/135260631.db2.gz AOXICCDGOXRMTI-NWDGAFQWSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000342275201 135260674 /nfs/dbraw/zinc/26/06/74/135260674.db2.gz AOXICCDGOXRMTI-RYUDHWBXSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000342275202 135260462 /nfs/dbraw/zinc/26/04/62/135260462.db2.gz AOXICCDGOXRMTI-VXGBXAGGSA-N 1 0 249.354 3.882 20 0 BHADRO CSc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000342331783 385966809 /nfs/dbraw/zinc/96/68/09/385966809.db2.gz GZGRRMUYDQNUNY-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000342333448 352744386 /nfs/dbraw/zinc/74/43/86/352744386.db2.gz MMEDWDAHYQUSJZ-LBPRGKRZSA-N 1 0 235.396 3.783 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCSC ZINC000342337125 135264963 /nfs/dbraw/zinc/26/49/63/135264963.db2.gz KFGOKTMWBDFIJZ-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCSC ZINC000342337126 135265494 /nfs/dbraw/zinc/26/54/94/135265494.db2.gz KFGOKTMWBDFIJZ-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO Cc1cccc(C[NH+]2CC(C)(C)CC(C)(C)C2)n1 ZINC000342340795 135265098 /nfs/dbraw/zinc/26/50/98/135265098.db2.gz SIOJPJKRXHOMGM-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO COc1ccccc1[C@H](CC(C)C)[NH2+]C(C)C ZINC000342341437 537108062 /nfs/dbraw/zinc/10/80/62/537108062.db2.gz QOIRZWPAXZZMFO-AWEZNQCLSA-N 1 0 235.371 3.780 20 0 BHADRO COc1ccccc1[C@@H](CC(C)C)[NH2+]C(C)C ZINC000342341438 135264934 /nfs/dbraw/zinc/26/49/34/135264934.db2.gz QOIRZWPAXZZMFO-CQSZACIVSA-N 1 0 235.371 3.780 20 0 BHADRO CC[N@H+](CCCC1CCCC1)Cc1ccccn1 ZINC000342352764 135260995 /nfs/dbraw/zinc/26/09/95/135260995.db2.gz AULIHDJDJBQCDA-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO Cc1ccncc1C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342360511 135263007 /nfs/dbraw/zinc/26/30/07/135263007.db2.gz WSKJGMBPHBILDG-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@H+](CCC(C)(C)CC)Cc1ccccn1 ZINC000342372805 135268464 /nfs/dbraw/zinc/26/84/64/135268464.db2.gz JRKOJSOWUJLCBQ-UHFFFAOYSA-N 1 0 234.387 3.730 20 0 BHADRO Cc1ccc(C[NH+]2CC(C)(C)CC(C)(C)C2)nc1 ZINC000342379323 135269274 /nfs/dbraw/zinc/26/92/74/135269274.db2.gz SFRWKMUFKCHBSQ-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000342423981 135267530 /nfs/dbraw/zinc/26/75/30/135267530.db2.gz SFWCRDQUKOTKQZ-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000342423982 135267786 /nfs/dbraw/zinc/26/77/86/135267786.db2.gz SFWCRDQUKOTKQZ-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000342423983 536129547 /nfs/dbraw/zinc/12/95/47/536129547.db2.gz SFWCRDQUKOTKQZ-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000342423984 536130019 /nfs/dbraw/zinc/13/00/19/536130019.db2.gz SFWCRDQUKOTKQZ-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000342435240 135273995 /nfs/dbraw/zinc/27/39/95/135273995.db2.gz WWSRPPSABQOQGZ-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000342435242 135274131 /nfs/dbraw/zinc/27/41/31/135274131.db2.gz WWSRPPSABQOQGZ-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000342435244 135273990 /nfs/dbraw/zinc/27/39/90/135273990.db2.gz WWSRPPSABQOQGZ-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000342435247 135273860 /nfs/dbraw/zinc/27/38/60/135273860.db2.gz WWSRPPSABQOQGZ-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000342455077 135276237 /nfs/dbraw/zinc/27/62/37/135276237.db2.gz CVPCUXWZIHNOEC-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000342455078 135276403 /nfs/dbraw/zinc/27/64/03/135276403.db2.gz CVPCUXWZIHNOEC-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000342455079 135276284 /nfs/dbraw/zinc/27/62/84/135276284.db2.gz CVPCUXWZIHNOEC-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000342455080 135276299 /nfs/dbraw/zinc/27/62/99/135276299.db2.gz CVPCUXWZIHNOEC-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO CCC1CC([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000342578429 135292224 /nfs/dbraw/zinc/29/22/24/135292224.db2.gz OOASWTRAQABFEB-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000342582079 535913746 /nfs/dbraw/zinc/91/37/46/535913746.db2.gz FYGZUTQXEMOXBH-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000342582081 535701333 /nfs/dbraw/zinc/70/13/33/535701333.db2.gz FYGZUTQXEMOXBH-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000342582083 135292508 /nfs/dbraw/zinc/29/25/08/135292508.db2.gz FYGZUTQXEMOXBH-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000342582084 135292485 /nfs/dbraw/zinc/29/24/85/135292485.db2.gz FYGZUTQXEMOXBH-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000342588187 135293444 /nfs/dbraw/zinc/29/34/44/135293444.db2.gz BXSBQHOLTVCNDB-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)CCC(C)(C)C)n1 ZINC000342588322 538049794 /nfs/dbraw/zinc/04/97/94/538049794.db2.gz DBNSOORJWQYVEA-CYBMUJFWSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)CCC(C)(C)C)n1 ZINC000342588323 538050556 /nfs/dbraw/zinc/05/05/56/538050556.db2.gz DBNSOORJWQYVEA-ZDUSSCGKSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342591012 135293504 /nfs/dbraw/zinc/29/35/04/135293504.db2.gz DDTDNSVKKJMKDT-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342591014 135293693 /nfs/dbraw/zinc/29/36/93/135293693.db2.gz DDTDNSVKKJMKDT-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342591016 135293894 /nfs/dbraw/zinc/29/38/94/135293894.db2.gz DDTDNSVKKJMKDT-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342591017 135293794 /nfs/dbraw/zinc/29/37/94/135293794.db2.gz DDTDNSVKKJMKDT-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000342596957 135301061 /nfs/dbraw/zinc/30/10/61/135301061.db2.gz HQCDSLCCRDRPEE-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000342596958 135300891 /nfs/dbraw/zinc/30/08/91/135300891.db2.gz HQCDSLCCRDRPEE-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000342596960 135301379 /nfs/dbraw/zinc/30/13/79/135301379.db2.gz HQCDSLCCRDRPEE-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000342596961 135301014 /nfs/dbraw/zinc/30/10/14/135301014.db2.gz HQCDSLCCRDRPEE-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC1(C)C ZINC000342599767 135300794 /nfs/dbraw/zinc/30/07/94/135300794.db2.gz FWYBXTCWBCBRBH-KBPBESRZSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC1(C)C ZINC000342599768 135301459 /nfs/dbraw/zinc/30/14/59/135301459.db2.gz FWYBXTCWBCBRBH-KGLIPLIRSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC1(C)C ZINC000342599769 135300963 /nfs/dbraw/zinc/30/09/63/135300963.db2.gz FWYBXTCWBCBRBH-UONOGXRCSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC1(C)C ZINC000342599770 135301253 /nfs/dbraw/zinc/30/12/53/135301253.db2.gz FWYBXTCWBCBRBH-ZIAGYGMSSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342603092 135302147 /nfs/dbraw/zinc/30/21/47/135302147.db2.gz XLIWIIPVDAZDFA-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342603093 135301855 /nfs/dbraw/zinc/30/18/55/135301855.db2.gz XLIWIIPVDAZDFA-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342603095 135301766 /nfs/dbraw/zinc/30/17/66/135301766.db2.gz XLIWIIPVDAZDFA-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342603098 135301727 /nfs/dbraw/zinc/30/17/27/135301727.db2.gz XLIWIIPVDAZDFA-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000342608038 135303276 /nfs/dbraw/zinc/30/32/76/135303276.db2.gz SJAYXNSPAIAZMY-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000342608039 135302642 /nfs/dbraw/zinc/30/26/42/135302642.db2.gz SJAYXNSPAIAZMY-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000342608041 535510380 /nfs/dbraw/zinc/51/03/80/535510380.db2.gz SJAYXNSPAIAZMY-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000342608043 535507439 /nfs/dbraw/zinc/50/74/39/535507439.db2.gz SJAYXNSPAIAZMY-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCC1CC([NH2+][C@H]2CCOc3c(C)cccc32)C1 ZINC000342615815 135296230 /nfs/dbraw/zinc/29/62/30/135296230.db2.gz NOHNCTLIYXYEQV-PIMMBPRGSA-N 1 0 245.366 3.597 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCOc3c(C)cccc32)C1 ZINC000342615816 135295851 /nfs/dbraw/zinc/29/58/51/135295851.db2.gz NOHNCTLIYXYEQV-SSDMNJCBSA-N 1 0 245.366 3.597 20 0 BHADRO CCOCc1ccccc1C[NH2+]C1CC(CC)C1 ZINC000342615851 135295856 /nfs/dbraw/zinc/29/58/56/135295856.db2.gz NBBIYABHWSIHSO-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000342616046 135295882 /nfs/dbraw/zinc/29/58/82/135295882.db2.gz OQOBWDQUJQFNNL-LDZOIKDWSA-N 1 0 229.367 3.842 20 0 BHADRO CCC1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000342616049 135295838 /nfs/dbraw/zinc/29/58/38/135295838.db2.gz OQOBWDQUJQFNNL-PXCJXSSVSA-N 1 0 229.367 3.842 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000342626262 135297613 /nfs/dbraw/zinc/29/76/13/135297613.db2.gz MMPIOXGBGBCAID-HNNXBMFYSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000342626264 135297777 /nfs/dbraw/zinc/29/77/77/135297777.db2.gz MMPIOXGBGBCAID-OAHLLOKOSA-N 1 0 247.382 3.501 20 0 BHADRO CC/C=C\CC[NH2+][C@H](CC)c1c(C)noc1C ZINC000342628688 343730730 /nfs/dbraw/zinc/73/07/30/343730730.db2.gz GVROQXPCQUOSOS-MEJMFZKBSA-N 1 0 236.359 3.688 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000342628689 343731019 /nfs/dbraw/zinc/73/10/19/343731019.db2.gz GVROQXPCQUOSOS-WSROAFLRSA-N 1 0 236.359 3.688 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000342629948 135297292 /nfs/dbraw/zinc/29/72/92/135297292.db2.gz CXOFOAOZFKNTJZ-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO CCOCc1ccc(C[NH2+]C2CC(CC)C2)cc1 ZINC000342634497 535715264 /nfs/dbraw/zinc/71/52/64/535715264.db2.gz YPMRNEBRLVONKZ-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO CC/C=C\CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000342635237 535245526 /nfs/dbraw/zinc/24/55/26/535245526.db2.gz PUZGDROBQYABOX-FJOGCWAESA-N 1 0 238.400 3.535 20 0 BHADRO CC/C=C\CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000342635238 535245206 /nfs/dbraw/zinc/24/52/06/535245206.db2.gz PUZGDROBQYABOX-FOQNGQEVSA-N 1 0 238.400 3.535 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000342637321 535326020 /nfs/dbraw/zinc/32/60/20/535326020.db2.gz OJMWMIWEFKRAMK-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000342637322 535608130 /nfs/dbraw/zinc/60/81/30/535608130.db2.gz OJMWMIWEFKRAMK-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)Cc2ccoc2)c1 ZINC000342639857 135299374 /nfs/dbraw/zinc/29/93/74/135299374.db2.gz WJQYCAUVBOOGFX-CYBMUJFWSA-N 1 0 229.323 3.781 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)Cc2ccoc2)c1 ZINC000342639860 135299219 /nfs/dbraw/zinc/29/92/19/135299219.db2.gz WJQYCAUVBOOGFX-ZDUSSCGKSA-N 1 0 229.323 3.781 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000342644355 135300458 /nfs/dbraw/zinc/30/04/58/135300458.db2.gz RWPAKRBPDXCATB-SREVYHEPSA-N 1 0 232.371 3.571 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000342644368 135300524 /nfs/dbraw/zinc/30/05/24/135300524.db2.gz RWPAKRBPDXCATB-VOTSOKGWSA-N 1 0 232.371 3.571 20 0 BHADRO Cc1cccc(C[N@@H+](C(C)C)C2CCCC2)n1 ZINC000342644470 135300338 /nfs/dbraw/zinc/30/03/38/135300338.db2.gz SHDQSHFKCROUGI-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1ccncc1CC ZINC000342655373 135307904 /nfs/dbraw/zinc/30/79/04/135307904.db2.gz GXUBVYKPJMHHPL-FMFIFOJESA-N 1 0 232.371 3.651 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1ccncc1CC ZINC000342655397 135307760 /nfs/dbraw/zinc/30/77/60/135307760.db2.gz GXUBVYKPJMHHPL-FWWRYZNZSA-N 1 0 232.371 3.651 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1ccncc1CC ZINC000342655400 535233137 /nfs/dbraw/zinc/23/31/37/535233137.db2.gz GXUBVYKPJMHHPL-KTRBRXNASA-N 1 0 232.371 3.651 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1ccncc1CC ZINC000342655403 135308078 /nfs/dbraw/zinc/30/80/78/135308078.db2.gz GXUBVYKPJMHHPL-YBJDMEARSA-N 1 0 232.371 3.651 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CC)C1)c1ccc(OC)cc1 ZINC000342661192 136223432 /nfs/dbraw/zinc/22/34/32/136223432.db2.gz GYPUQGKSRVUTCX-LDZOIKDWSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+]C1CC(CC)C1)c1ccc(OC)cc1 ZINC000342661195 136223620 /nfs/dbraw/zinc/22/36/20/136223620.db2.gz GYPUQGKSRVUTCX-PXCJXSSVSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCOc2ccccc21 ZINC000342663720 135308587 /nfs/dbraw/zinc/30/85/87/135308587.db2.gz BEWGCKMGMUFQMZ-DZGCQCFKSA-N 1 0 245.366 3.679 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCOc2ccccc21 ZINC000342663721 135308373 /nfs/dbraw/zinc/30/83/73/135308373.db2.gz BEWGCKMGMUFQMZ-HIFRSBDPSA-N 1 0 245.366 3.679 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCOc2ccccc21 ZINC000342663722 135308549 /nfs/dbraw/zinc/30/85/49/135308549.db2.gz BEWGCKMGMUFQMZ-UKRRQHHQSA-N 1 0 245.366 3.679 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCOc2ccccc21 ZINC000342663723 135308841 /nfs/dbraw/zinc/30/88/41/135308841.db2.gz BEWGCKMGMUFQMZ-ZFWWWQNUSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000342678816 535610084 /nfs/dbraw/zinc/61/00/84/535610084.db2.gz MOJDJAAXXHMKJD-AAEUAGOBSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000342678817 535325633 /nfs/dbraw/zinc/32/56/33/535325633.db2.gz MOJDJAAXXHMKJD-DGCLKSJQSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000342678818 535610967 /nfs/dbraw/zinc/61/09/67/535610967.db2.gz MOJDJAAXXHMKJD-WCQYABFASA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000342678819 535326245 /nfs/dbraw/zinc/32/62/45/535326245.db2.gz MOJDJAAXXHMKJD-YPMHNXCESA-N 1 0 236.359 3.556 20 0 BHADRO CCC1CC([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000342687032 135305403 /nfs/dbraw/zinc/30/54/03/135305403.db2.gz QYYUOSUUHPYPDN-PIMMBPRGSA-N 1 0 245.366 3.679 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000342687033 135305679 /nfs/dbraw/zinc/30/56/79/135305679.db2.gz QYYUOSUUHPYPDN-SSDMNJCBSA-N 1 0 245.366 3.679 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)CCC(C)(C)C)c1 ZINC000342687797 388498625 /nfs/dbraw/zinc/49/86/25/388498625.db2.gz KFVLHDSIRMWMKI-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)CCC(C)(C)C)c1 ZINC000342687798 179672631 /nfs/dbraw/zinc/67/26/31/179672631.db2.gz KFVLHDSIRMWMKI-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO CCC1CC([NH2+]Cc2nccc3ccccc32)C1 ZINC000342692084 135305331 /nfs/dbraw/zinc/30/53/31/135305331.db2.gz XEUPKOOJYXJFSL-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1CC([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000342692406 135305339 /nfs/dbraw/zinc/30/53/39/135305339.db2.gz YMRNCDBXWGYXPY-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000342701251 135306882 /nfs/dbraw/zinc/30/68/82/135306882.db2.gz RCQGIUSGFOFCDL-KBPBESRZSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000342701252 135306978 /nfs/dbraw/zinc/30/69/78/135306978.db2.gz RCQGIUSGFOFCDL-KGLIPLIRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000342701253 135307341 /nfs/dbraw/zinc/30/73/41/135307341.db2.gz RCQGIUSGFOFCDL-UONOGXRCSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000342701254 135307061 /nfs/dbraw/zinc/30/70/61/135307061.db2.gz RCQGIUSGFOFCDL-ZIAGYGMSSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[N@H+](CC)Cc1nc(C2CC2)cs1 ZINC000342701440 135307393 /nfs/dbraw/zinc/30/73/93/135307393.db2.gz YSFYQLLGLOPJLN-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CC(C)[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000342701960 135307618 /nfs/dbraw/zinc/30/76/18/135307618.db2.gz CIBNOAMGISZFKJ-UHFFFAOYSA-N 1 0 223.747 3.713 20 0 BHADRO CCC1CC([NH2+]Cc2cccc3cccnc32)C1 ZINC000342703526 135312312 /nfs/dbraw/zinc/31/23/12/135312312.db2.gz VSTACWNYMPWJQX-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1CC([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000342708543 135312715 /nfs/dbraw/zinc/31/27/15/135312715.db2.gz KYWHLLSPRNYMKE-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)Cc1ccco1 ZINC000342708899 135312931 /nfs/dbraw/zinc/31/29/31/135312931.db2.gz DQXIVPURQSAJFI-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO C[N@H+](Cc1ccoc1)Cc1cccc(Cl)c1 ZINC000342709061 135313054 /nfs/dbraw/zinc/31/30/54/135313054.db2.gz IVEQZIRDLVQCMA-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(F)cn1 ZINC000342710865 135313134 /nfs/dbraw/zinc/31/31/34/135313134.db2.gz PTERBRWISZIATN-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(F)cn1 ZINC000342710900 135312786 /nfs/dbraw/zinc/31/27/86/135312786.db2.gz PTERBRWISZIATN-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000342711543 135313427 /nfs/dbraw/zinc/31/34/27/135313427.db2.gz WZKBNUNUUBVJHW-KOHJWAIASA-N 1 0 245.366 3.548 20 0 BHADRO CCC1CC([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000342711546 135313800 /nfs/dbraw/zinc/31/38/00/135313800.db2.gz WZKBNUNUUBVJHW-QOZQQMKHSA-N 1 0 245.366 3.548 20 0 BHADRO CCC1CC([NH2+]C[C@@H](c2cccnc2)C(C)C)C1 ZINC000342712262 135313686 /nfs/dbraw/zinc/31/36/86/135313686.db2.gz RADZNQFWIFFMRO-AVVWSFFYSA-N 1 0 246.398 3.599 20 0 BHADRO CCC1CC([NH2+]C[C@H](c2cccnc2)C(C)C)C1 ZINC000342712263 135313510 /nfs/dbraw/zinc/31/35/10/135313510.db2.gz RADZNQFWIFFMRO-BCLQGDPASA-N 1 0 246.398 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2c(C)cccc2C)o1 ZINC000342717863 135313408 /nfs/dbraw/zinc/31/34/08/135313408.db2.gz NFWRCMZGRUXATH-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CCC[NH+](CCC)Cc1nc(C2CC2)cs1 ZINC000342721294 135315037 /nfs/dbraw/zinc/31/50/37/135315037.db2.gz ZFDIXEYMGCKUSU-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)Cc2ccoc2)cc1 ZINC000342732610 135316499 /nfs/dbraw/zinc/31/64/99/135316499.db2.gz KIUJEOHVNRTVTD-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[C@H]([NH2+]C1CC(CC)C1)c1c(C)noc1C ZINC000342734793 135316235 /nfs/dbraw/zinc/31/62/35/135316235.db2.gz OJUXWKIESAHXPJ-BPCQOVAHSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CC)C1)c1c(C)noc1C ZINC000342734801 135316697 /nfs/dbraw/zinc/31/66/97/135316697.db2.gz OJUXWKIESAHXPJ-WXRRBKDZSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735840 135316546 /nfs/dbraw/zinc/31/65/46/135316546.db2.gz PPKSSDHCPKSKOZ-NEPJUHHUSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735842 535932085 /nfs/dbraw/zinc/93/20/85/535932085.db2.gz PPKSSDHCPKSKOZ-NWDGAFQWSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735846 135316542 /nfs/dbraw/zinc/31/65/42/135316542.db2.gz PPKSSDHCPKSKOZ-RYUDHWBXSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735849 535808179 /nfs/dbraw/zinc/80/81/79/535808179.db2.gz PPKSSDHCPKSKOZ-VXGBXAGGSA-N 1 0 236.359 3.521 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000342748089 535355062 /nfs/dbraw/zinc/35/50/62/535355062.db2.gz IGSSLQQKCCVZMM-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000342766842 535631624 /nfs/dbraw/zinc/63/16/24/535631624.db2.gz XXGCTFQLZZGKKU-JTQLQIEISA-N 1 0 238.400 3.641 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000342766843 135326395 /nfs/dbraw/zinc/32/63/95/135326395.db2.gz XXGCTFQLZZGKKU-SNVBAGLBSA-N 1 0 238.400 3.641 20 0 BHADRO CC[N@H+](Cc1cn(C(C)C)nc1C)C1CCCC1 ZINC000342821356 352864843 /nfs/dbraw/zinc/86/48/43/352864843.db2.gz MQUNJROULVUBAN-UHFFFAOYSA-N 1 0 249.402 3.537 20 0 BHADRO CC[N@H+](CCCc1ccc(C)nc1)C1CCCC1 ZINC000342833411 352834420 /nfs/dbraw/zinc/83/44/20/352834420.db2.gz AAGUTLWFLQSYDW-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO CC[N@H+](Cc1sccc1OC)C1CCCC1 ZINC000342833949 352835052 /nfs/dbraw/zinc/83/50/52/352835052.db2.gz CVPRRZDFAKRPIZ-UHFFFAOYSA-N 1 0 239.384 3.521 20 0 BHADRO c1coc(C[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000342844583 352872450 /nfs/dbraw/zinc/87/24/50/352872450.db2.gz ZOYDLXDVVFFGSV-UHFFFAOYSA-N 1 0 239.318 3.569 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000342850165 352874530 /nfs/dbraw/zinc/87/45/30/352874530.db2.gz LPCXMGFKYQEMNP-BNOWGMLFSA-N 1 0 233.355 3.633 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000342850166 352874452 /nfs/dbraw/zinc/87/44/52/352874452.db2.gz LPCXMGFKYQEMNP-UBHSHLNASA-N 1 0 233.355 3.633 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000342850167 352874193 /nfs/dbraw/zinc/87/41/93/352874193.db2.gz LPCXMGFKYQEMNP-XBFCOCLRSA-N 1 0 233.355 3.633 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000342850168 352874562 /nfs/dbraw/zinc/87/45/62/352874562.db2.gz LPCXMGFKYQEMNP-YUTCNCBUSA-N 1 0 233.355 3.633 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H]2C(C)C)cc1 ZINC000342862016 352879127 /nfs/dbraw/zinc/87/91/27/352879127.db2.gz PLBHXCRTUUJTJL-AWEZNQCLSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)cc1 ZINC000342862017 352879253 /nfs/dbraw/zinc/87/92/53/352879253.db2.gz PLBHXCRTUUJTJL-CQSZACIVSA-N 1 0 235.396 3.639 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1coc2ccccc12 ZINC000342863192 352880687 /nfs/dbraw/zinc/88/06/87/352880687.db2.gz WDANEPDMFOZEGE-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1coc2ccccc12 ZINC000342863193 352880754 /nfs/dbraw/zinc/88/07/54/352880754.db2.gz WDANEPDMFOZEGE-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000342863514 352881575 /nfs/dbraw/zinc/88/15/75/352881575.db2.gz XWMBKZYZZWOBRW-AWEZNQCLSA-N 1 0 247.313 3.802 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000342863515 352881847 /nfs/dbraw/zinc/88/18/47/352881847.db2.gz XWMBKZYZZWOBRW-CQSZACIVSA-N 1 0 247.313 3.802 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000342909952 135334354 /nfs/dbraw/zinc/33/43/54/135334354.db2.gz JVYOXDIMLQJNRC-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000342909953 135334526 /nfs/dbraw/zinc/33/45/26/135334526.db2.gz JVYOXDIMLQJNRC-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000342912047 135333849 /nfs/dbraw/zinc/33/38/49/135333849.db2.gz PAZZZLFHDUDUPH-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000342912051 135333930 /nfs/dbraw/zinc/33/39/30/135333930.db2.gz PAZZZLFHDUDUPH-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000342912052 135334498 /nfs/dbraw/zinc/33/44/98/135334498.db2.gz PAZZZLFHDUDUPH-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000342912053 135334211 /nfs/dbraw/zinc/33/42/11/135334211.db2.gz PAZZZLFHDUDUPH-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCC2(CCC2)C1 ZINC000342936042 135336571 /nfs/dbraw/zinc/33/65/71/135336571.db2.gz CZBDVNJKPPKTRT-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CSc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000342994666 135343026 /nfs/dbraw/zinc/34/30/26/135343026.db2.gz AJFLXRMFWJFHOT-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000342997192 135343745 /nfs/dbraw/zinc/34/37/45/135343745.db2.gz CPZOKDKQROLOQX-HNNXBMFYSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000342997195 135343732 /nfs/dbraw/zinc/34/37/32/135343732.db2.gz CPZOKDKQROLOQX-OAHLLOKOSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000343006786 135344325 /nfs/dbraw/zinc/34/43/25/135344325.db2.gz KKMRUCWIOXKCRF-HNNXBMFYSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000343006787 135344375 /nfs/dbraw/zinc/34/43/75/135344375.db2.gz KKMRUCWIOXKCRF-OAHLLOKOSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000343011159 135344377 /nfs/dbraw/zinc/34/43/77/135344377.db2.gz TXFBZGVBFJAAQL-HNNXBMFYSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000343011160 135344322 /nfs/dbraw/zinc/34/43/22/135344322.db2.gz TXFBZGVBFJAAQL-OAHLLOKOSA-N 1 0 233.330 3.590 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC2(C)C)c(C)s1 ZINC000343048134 352934822 /nfs/dbraw/zinc/93/48/22/352934822.db2.gz NFDQCKNUPFICSN-UHFFFAOYSA-N 1 0 223.385 3.739 20 0 BHADRO CC1([NH2+]Cc2cc3cc(F)ccc3o2)CCCC1 ZINC000343089359 352957739 /nfs/dbraw/zinc/95/77/39/352957739.db2.gz CLJJZMGXQZZRBZ-UHFFFAOYSA-N 1 0 247.313 3.994 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000343093528 352959576 /nfs/dbraw/zinc/95/95/76/352959576.db2.gz XAMVSKBYPPAEMV-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CC2 ZINC000343093529 352959518 /nfs/dbraw/zinc/95/95/18/352959518.db2.gz XAMVSKBYPPAEMV-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC000343096522 352962108 /nfs/dbraw/zinc/96/21/08/352962108.db2.gz RARROIHDYNDMCZ-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)CC2 ZINC000343096525 352962045 /nfs/dbraw/zinc/96/20/45/352962045.db2.gz RARROIHDYNDMCZ-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO CC(C)C[N@H+](Cc1cscn1)C1CCCC1 ZINC000343100008 135354583 /nfs/dbraw/zinc/35/45/83/135354583.db2.gz AWXDWCRGTGZDIV-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000343100036 534653640 /nfs/dbraw/zinc/65/36/40/534653640.db2.gz BLGDWBLELGBPNV-GFCCVEGCSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000343100037 135354876 /nfs/dbraw/zinc/35/48/76/135354876.db2.gz BLGDWBLELGBPNV-LBPRGKRZSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[N@H+](CCc1ccccn1)C1CCCC1 ZINC000343105884 352972356 /nfs/dbraw/zinc/97/23/56/352972356.db2.gz WUGCMONUOACFFI-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO Cn1ccc(C[NH2+]C2CCC(C(C)(C)C)CC2)c1 ZINC000343195686 386238436 /nfs/dbraw/zinc/23/84/36/386238436.db2.gz QVLKCVZICPVJIS-UHFFFAOYSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC1CCC(C)CC1 ZINC000343240452 386534658 /nfs/dbraw/zinc/53/46/58/386534658.db2.gz DKEJYCBUTKMRLC-MOKVOYLWSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC1CCC(C)CC1 ZINC000343240455 135458498 /nfs/dbraw/zinc/45/84/98/135458498.db2.gz DKEJYCBUTKMRLC-ROKHWSDSSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(C)CC1)c1ccncc1 ZINC000343255412 353251783 /nfs/dbraw/zinc/25/17/83/353251783.db2.gz HAYWTQSMUGCQRZ-XUJLQICISA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(C)CC1)c1ccncc1 ZINC000343255413 353251755 /nfs/dbraw/zinc/25/17/55/353251755.db2.gz HAYWTQSMUGCQRZ-ZBCRRDGASA-N 1 0 246.398 3.949 20 0 BHADRO C[N@@H+](Cc1cccnc1)CC1CCC(C)(C)CC1 ZINC000343282977 353348010 /nfs/dbraw/zinc/34/80/10/353348010.db2.gz LVCDNTHSWXYQMI-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO CCC[N@H+](Cc1ccn(C(CC)CC)n1)C1CC1 ZINC000343387791 353875729 /nfs/dbraw/zinc/87/57/29/353875729.db2.gz OWCSIGQRHULIMS-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCC1 ZINC000343440201 133681139 /nfs/dbraw/zinc/68/11/39/133681139.db2.gz ISZNFYGKILHFJN-UHFFFAOYSA-N 1 0 243.272 3.656 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000343472067 388499788 /nfs/dbraw/zinc/49/97/88/388499788.db2.gz QMPVUCUHMPPFHF-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000343472076 388500487 /nfs/dbraw/zinc/50/04/87/388500487.db2.gz QMPVUCUHMPPFHF-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CC[C@H](C)N1c1cc[nH+]c2ccccc21 ZINC000343475149 353901792 /nfs/dbraw/zinc/90/17/92/353901792.db2.gz RCWONGAYPOIYGX-RYUDHWBXSA-N 1 0 226.323 3.612 20 0 BHADRO C[C@@H]1CC[C@H](C)N1c1cc[nH+]c2ccccc21 ZINC000343475150 353901885 /nfs/dbraw/zinc/90/18/85/353901885.db2.gz RCWONGAYPOIYGX-TXEJJXNPSA-N 1 0 226.323 3.612 20 0 BHADRO C[C@@H]1CC[C@@H](C)N1c1cc[nH+]c2ccccc21 ZINC000343475151 353902051 /nfs/dbraw/zinc/90/20/51/353902051.db2.gz RCWONGAYPOIYGX-VXGBXAGGSA-N 1 0 226.323 3.612 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000343477679 353903256 /nfs/dbraw/zinc/90/32/56/353903256.db2.gz WVUPTYKCSGJKOG-IOASZLSFSA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000343477688 353903485 /nfs/dbraw/zinc/90/34/85/353903485.db2.gz WVUPTYKCSGJKOG-WWGRRREGSA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000343477691 353903190 /nfs/dbraw/zinc/90/31/90/353903190.db2.gz WVUPTYKCSGJKOG-XEZPLFJOSA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@H](CC)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000343477695 353903141 /nfs/dbraw/zinc/90/31/41/353903141.db2.gz WVUPTYKCSGJKOG-ZENOOKHLSA-N 1 0 249.398 3.713 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000343502372 353915482 /nfs/dbraw/zinc/91/54/82/353915482.db2.gz CZBRPFSGOGSKNA-GHMZBOCLSA-N 1 0 238.375 3.596 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000343502373 353915192 /nfs/dbraw/zinc/91/51/92/353915192.db2.gz CZBRPFSGOGSKNA-MNOVXSKESA-N 1 0 238.375 3.596 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000343502374 353915324 /nfs/dbraw/zinc/91/53/24/353915324.db2.gz CZBRPFSGOGSKNA-QWRGUYRKSA-N 1 0 238.375 3.596 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000343502375 353915113 /nfs/dbraw/zinc/91/51/13/353915113.db2.gz CZBRPFSGOGSKNA-WDEREUQCSA-N 1 0 238.375 3.596 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000343507274 353922231 /nfs/dbraw/zinc/92/22/31/353922231.db2.gz GWGIJHLQSNJPAY-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000343507293 353922268 /nfs/dbraw/zinc/92/22/68/353922268.db2.gz GWGIJHLQSNJPAY-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000343507299 353922183 /nfs/dbraw/zinc/92/21/83/353922183.db2.gz GWGIJHLQSNJPAY-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000343507302 353922227 /nfs/dbraw/zinc/92/22/27/353922227.db2.gz GWGIJHLQSNJPAY-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO CN(CC(F)F)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343518267 136230987 /nfs/dbraw/zinc/23/09/87/136230987.db2.gz AXJBODXNMSKIFV-LLVKDONJSA-N 1 0 245.700 3.524 20 0 BHADRO CN(CC(F)F)[C@H]1CCc2ccc(Cl)cc21 ZINC000343518279 136230645 /nfs/dbraw/zinc/23/06/45/136230645.db2.gz AXJBODXNMSKIFV-NSHDSACASA-N 1 0 245.700 3.524 20 0 BHADRO Cc1nn(C(C)C)cc1C[N@H+](C(C)C)C1CCC1 ZINC000343520096 353926438 /nfs/dbraw/zinc/92/64/38/353926438.db2.gz AQGQAAOPYKEGLV-UHFFFAOYSA-N 1 0 249.402 3.535 20 0 BHADRO Cc1nn(C(C)C)cc1C[N@@H+]1CCCCC[C@H]1C ZINC000343521444 136230999 /nfs/dbraw/zinc/23/09/99/136230999.db2.gz CYNVNJDHHUNTOF-CYBMUJFWSA-N 1 0 249.402 3.537 20 0 BHADRO Cc1nn(C(C)C)cc1C[N@@H+]1CCCCC[C@@H]1C ZINC000343521446 136231025 /nfs/dbraw/zinc/23/10/25/136231025.db2.gz CYNVNJDHHUNTOF-ZDUSSCGKSA-N 1 0 249.402 3.537 20 0 BHADRO CCCC[N@H+](Cc1cn(C(C)C)nc1C)C1CC1 ZINC000343521565 136231015 /nfs/dbraw/zinc/23/10/15/136231015.db2.gz VFBQJJSUZCLERS-UHFFFAOYSA-N 1 0 249.402 3.537 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccnc1 ZINC000343560432 353934162 /nfs/dbraw/zinc/93/41/62/353934162.db2.gz YPABWZYOFWHGPS-DZKIICNBSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccnc1 ZINC000343560434 353934181 /nfs/dbraw/zinc/93/41/81/353934181.db2.gz YPABWZYOFWHGPS-FMKPAKJESA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cccnc1 ZINC000343560437 353934178 /nfs/dbraw/zinc/93/41/78/353934178.db2.gz YPABWZYOFWHGPS-LZWOXQAQSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cccnc1 ZINC000343560439 353934419 /nfs/dbraw/zinc/93/44/19/353934419.db2.gz YPABWZYOFWHGPS-YCPHGPKFSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000343569325 353936647 /nfs/dbraw/zinc/93/66/47/353936647.db2.gz JKNKENKLDXKYSX-HNNXBMFYSA-N 1 0 249.402 3.537 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000343569326 353936539 /nfs/dbraw/zinc/93/65/39/353936539.db2.gz JKNKENKLDXKYSX-OAHLLOKOSA-N 1 0 249.402 3.537 20 0 BHADRO CC[C@@]1(C)CCN(c2cc(C)nc(C(C)C)n2)C1 ZINC000343588357 353940995 /nfs/dbraw/zinc/94/09/95/353940995.db2.gz DTTFVQWHBYCKRK-HNNXBMFYSA-N 1 0 247.386 3.535 20 0 BHADRO CC[C@]1(C)CCN(c2cc(C)nc(C(C)C)n2)C1 ZINC000343588358 353940987 /nfs/dbraw/zinc/94/09/87/353940987.db2.gz DTTFVQWHBYCKRK-OAHLLOKOSA-N 1 0 247.386 3.535 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)cn1 ZINC000343590668 353941695 /nfs/dbraw/zinc/94/16/95/353941695.db2.gz GVEYXUGVVKJSLA-HZSPNIEDSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)cn1 ZINC000343590669 133697941 /nfs/dbraw/zinc/69/79/41/133697941.db2.gz GVEYXUGVVKJSLA-IHRRRGAJSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)cn1 ZINC000343590670 353941947 /nfs/dbraw/zinc/94/19/47/353941947.db2.gz GVEYXUGVVKJSLA-MELADBBJSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)cn1 ZINC000343590671 353941832 /nfs/dbraw/zinc/94/18/32/353941832.db2.gz GVEYXUGVVKJSLA-RDBSUJKOSA-N 1 0 249.402 3.551 20 0 BHADRO Cc1nn(C(C)C)cc1C[N@H+](C)C1(C)CCCC1 ZINC000343597154 353930295 /nfs/dbraw/zinc/93/02/95/353930295.db2.gz KNZWMIJJKXOQFK-UHFFFAOYSA-N 1 0 249.402 3.537 20 0 BHADRO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1cccc(C)c1 ZINC000343616194 353945726 /nfs/dbraw/zinc/94/57/26/353945726.db2.gz DYPZBHCBJCFMHX-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1cccc(C)c1 ZINC000343616197 353945714 /nfs/dbraw/zinc/94/57/14/353945714.db2.gz DYPZBHCBJCFMHX-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1cccc(C)c1 ZINC000343616199 353945690 /nfs/dbraw/zinc/94/56/90/353945690.db2.gz DYPZBHCBJCFMHX-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1cccc(C)c1 ZINC000343616201 353945864 /nfs/dbraw/zinc/94/58/64/353945864.db2.gz DYPZBHCBJCFMHX-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1ccccc1C ZINC000343633083 353948701 /nfs/dbraw/zinc/94/87/01/353948701.db2.gz ZQXRYSZWGQTFAG-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1ccccc1C ZINC000343633084 353948857 /nfs/dbraw/zinc/94/88/57/353948857.db2.gz ZQXRYSZWGQTFAG-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1ccccc1C ZINC000343633085 353948754 /nfs/dbraw/zinc/94/87/54/353948754.db2.gz ZQXRYSZWGQTFAG-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1ccccc1C ZINC000343633086 133699980 /nfs/dbraw/zinc/69/99/80/133699980.db2.gz ZQXRYSZWGQTFAG-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1occc1C[NH2+]Cc1coc2ccccc12 ZINC000343636212 353949497 /nfs/dbraw/zinc/94/94/97/353949497.db2.gz IHYDLRXWRVMNPX-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO CSCCC[N@H+](C)Cc1ccsc1Cl ZINC000343671978 133699075 /nfs/dbraw/zinc/69/90/75/133699075.db2.gz GASWLRGKHCXTTN-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO CSCCC[N@H+](C)Cc1coc2ccccc12 ZINC000343674294 353961056 /nfs/dbraw/zinc/96/10/56/353961056.db2.gz IQNNROFOOYEDKS-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO CSCCC[N@H+](C)Cc1cc(C)sc1C ZINC000343687319 353963634 /nfs/dbraw/zinc/96/36/34/353963634.db2.gz XUDFRRGAAFMYCI-UHFFFAOYSA-N 1 0 243.441 3.550 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000343715048 353957066 /nfs/dbraw/zinc/95/70/66/353957066.db2.gz BDKHNMWJMKYTKF-HGTKMLMNSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000343715049 353957262 /nfs/dbraw/zinc/95/72/62/353957262.db2.gz BDKHNMWJMKYTKF-KNCOVGOOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000343715050 353957326 /nfs/dbraw/zinc/95/73/26/353957326.db2.gz BDKHNMWJMKYTKF-ORIJERBGSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000343715051 353957194 /nfs/dbraw/zinc/95/71/94/353957194.db2.gz BDKHNMWJMKYTKF-RZLSGREXSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1(C)CC1 ZINC000343733066 353989417 /nfs/dbraw/zinc/98/94/17/353989417.db2.gz AOPUCABXKUMKSE-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1(C)CC1 ZINC000343733067 353989438 /nfs/dbraw/zinc/98/94/38/353989438.db2.gz AOPUCABXKUMKSE-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)[NH+](Cc1nc(C2CC2)cs1)C(C)C ZINC000343737662 353968536 /nfs/dbraw/zinc/96/85/36/353968536.db2.gz RMEKUYAYCUYYBS-UHFFFAOYSA-N 1 0 238.400 3.639 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000343827994 354016761 /nfs/dbraw/zinc/01/67/61/354016761.db2.gz FVBBRMSOMAVHKJ-GXTWGEPZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000343827996 354016484 /nfs/dbraw/zinc/01/64/84/354016484.db2.gz FVBBRMSOMAVHKJ-JSGCOSHPSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000343827997 135701747 /nfs/dbraw/zinc/70/17/47/135701747.db2.gz FVBBRMSOMAVHKJ-OCCSQVGLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000343827998 135701697 /nfs/dbraw/zinc/70/16/97/135701697.db2.gz FVBBRMSOMAVHKJ-TZMCWYRMSA-N 1 0 232.371 3.619 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000343834979 135707722 /nfs/dbraw/zinc/70/77/22/135707722.db2.gz MKQIQYFKUICODX-KYEXWDHISA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000343834980 135708176 /nfs/dbraw/zinc/70/81/76/135708176.db2.gz MKQIQYFKUICODX-QVHKTLOISA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000343834982 354034732 /nfs/dbraw/zinc/03/47/32/354034732.db2.gz MKQIQYFKUICODX-RGCMKSIDSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000343834984 354034769 /nfs/dbraw/zinc/03/47/69/354034769.db2.gz MKQIQYFKUICODX-RMRHIDDWSA-N 1 0 235.371 3.625 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000343838189 354036162 /nfs/dbraw/zinc/03/61/62/354036162.db2.gz JPTYZVZWDPVVID-FPMFFAJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000343838190 135708695 /nfs/dbraw/zinc/70/86/95/135708695.db2.gz JPTYZVZWDPVVID-IACUBPJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000343838191 354036071 /nfs/dbraw/zinc/03/60/71/354036071.db2.gz JPTYZVZWDPVVID-UBHSHLNASA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000343838192 354035780 /nfs/dbraw/zinc/03/57/80/354035780.db2.gz JPTYZVZWDPVVID-YUTCNCBUSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000343844370 354020445 /nfs/dbraw/zinc/02/04/45/354020445.db2.gz VEVBVCNMUGDHJG-GLWUULTISA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000343845403 135703521 /nfs/dbraw/zinc/70/35/21/135703521.db2.gz VEVBVCNMUGDHJG-QRJNDHJOSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C3CC(C)C3)cc2c1C ZINC000343848529 135703117 /nfs/dbraw/zinc/70/31/17/135703117.db2.gz DZFABWZEJHOFHS-UHFFFAOYSA-N 1 0 242.366 3.673 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccncc1 ZINC000343858446 365634463 /nfs/dbraw/zinc/63/44/63/365634463.db2.gz KGCKDTJDTGAGFW-CLWVCHIJSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccncc1 ZINC000343858447 365634436 /nfs/dbraw/zinc/63/44/36/365634436.db2.gz KGCKDTJDTGAGFW-UGQVUOCMSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccncc1 ZINC000343858448 365634740 /nfs/dbraw/zinc/63/47/40/365634740.db2.gz KGCKDTJDTGAGFW-XOUADPBQSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cncc(C)c2)s1 ZINC000343867180 354027218 /nfs/dbraw/zinc/02/72/18/354027218.db2.gz USOYJILZXYKHDY-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)s1 ZINC000343867191 354027136 /nfs/dbraw/zinc/02/71/36/354027136.db2.gz USOYJILZXYKHDY-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC23CCC(CC2)C3)c1 ZINC000343870002 354028120 /nfs/dbraw/zinc/02/81/20/354028120.db2.gz XCOFQJDHDNKFKT-HLIUYOAVSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC23CCC(CC2)C3)c1 ZINC000343870013 354028300 /nfs/dbraw/zinc/02/83/00/354028300.db2.gz XCOFQJDHDNKFKT-VQCLRJIVSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cc[nH+]c(NCC2(C(F)(F)F)CCC2)c1 ZINC000343905655 354035800 /nfs/dbraw/zinc/03/58/00/354035800.db2.gz BJISTQJYWDFXHK-UHFFFAOYSA-N 1 0 244.260 3.535 20 0 BHADRO Cc1cccc(NCC2(C(F)(F)F)CCC2)[nH+]1 ZINC000343923556 354042994 /nfs/dbraw/zinc/04/29/94/354042994.db2.gz WCKSHICMLCWHLC-UHFFFAOYSA-N 1 0 244.260 3.535 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)CC1 ZINC000343939057 354048557 /nfs/dbraw/zinc/04/85/57/354048557.db2.gz UVYWVSBCPKTQAK-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)CC1 ZINC000343939058 354048690 /nfs/dbraw/zinc/04/86/90/354048690.db2.gz UVYWVSBCPKTQAK-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)CC1 ZINC000343939059 354048569 /nfs/dbraw/zinc/04/85/69/354048569.db2.gz UVYWVSBCPKTQAK-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)CC1 ZINC000343939060 354048245 /nfs/dbraw/zinc/04/82/45/354048245.db2.gz UVYWVSBCPKTQAK-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO Cc1ccncc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000343953704 354071221 /nfs/dbraw/zinc/07/12/21/354071221.db2.gz MPUCPWPCKWYKKF-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO CC(C)CC1(C)CC[NH+](Cc2cccnc2)CC1 ZINC000343955413 354071587 /nfs/dbraw/zinc/07/15/87/354071587.db2.gz BYAINMZCQJWGSC-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC[C@@H]2C)c2ccccc21 ZINC000343981221 388504147 /nfs/dbraw/zinc/50/41/47/388504147.db2.gz JUVUHMHMIVHVEF-FDRIWYBQSA-N 1 0 247.407 3.576 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CSC[C@H]2C)c2ccccc21 ZINC000343981222 388503475 /nfs/dbraw/zinc/50/34/75/388503475.db2.gz JUVUHMHMIVHVEF-FIXIBIHLSA-N 1 0 247.407 3.576 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC[C@H]2C)c2ccccc21 ZINC000343981223 388503518 /nfs/dbraw/zinc/50/35/18/388503518.db2.gz JUVUHMHMIVHVEF-HKCMKHECSA-N 1 0 247.407 3.576 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CSC[C@@H]2C)c2ccccc21 ZINC000343981224 388503347 /nfs/dbraw/zinc/50/33/47/388503347.db2.gz JUVUHMHMIVHVEF-PKIAMQTDSA-N 1 0 247.407 3.576 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000343981297 354057878 /nfs/dbraw/zinc/05/78/78/354057878.db2.gz IGLDZZYGLLLKMY-UHFFFAOYSA-N 1 0 235.302 3.850 20 0 BHADRO CC(C)CC1(C)CC[NH+](Cc2ccncc2)CC1 ZINC000343991049 354063106 /nfs/dbraw/zinc/06/31/06/354063106.db2.gz LCMULGJVADRASM-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)CC1(C)CC[NH+](Cc2ccccn2)CC1 ZINC000344001366 354066979 /nfs/dbraw/zinc/06/69/79/354066979.db2.gz ZBGLYEBPTZZTIB-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccncc1Cl ZINC000344009446 354114849 /nfs/dbraw/zinc/11/48/49/354114849.db2.gz ASSIMMDAUHNKPX-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(C)s1 ZINC000344016798 354079915 /nfs/dbraw/zinc/07/99/15/354079915.db2.gz NINICSHBVISMDU-CYBMUJFWSA-N 1 0 235.396 3.597 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c(C)s1 ZINC000344016807 354080209 /nfs/dbraw/zinc/08/02/09/354080209.db2.gz NINICSHBVISMDU-ZDUSSCGKSA-N 1 0 235.396 3.597 20 0 BHADRO CCC(CC)[N@H+](CC)CCc1csc(C)n1 ZINC000344017964 354080602 /nfs/dbraw/zinc/08/06/02/354080602.db2.gz FFUCSLSQFBVIPO-UHFFFAOYSA-N 1 0 240.416 3.505 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(C)nc1C ZINC000344024429 354085347 /nfs/dbraw/zinc/08/53/47/354085347.db2.gz IGSVFDBRDGMMTM-UHFFFAOYSA-N 1 0 234.387 3.709 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1nc(C)c(C)s1 ZINC000344027279 354088884 /nfs/dbraw/zinc/08/88/84/354088884.db2.gz KWCJWLSETMYWQB-UHFFFAOYSA-N 1 0 240.416 3.770 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1nc2ccccc2[nH]1 ZINC000344028258 354090257 /nfs/dbraw/zinc/09/02/57/354090257.db2.gz MPULZHSMIRRISX-UHFFFAOYSA-N 1 0 245.370 3.573 20 0 BHADRO CCc1nc(C[N@@H+](CC)C(CC)CC)cs1 ZINC000344028260 354090539 /nfs/dbraw/zinc/09/05/39/354090539.db2.gz MRGKMIRLGCGZIZ-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ncc(Cl)s1 ZINC000344030165 354093071 /nfs/dbraw/zinc/09/30/71/354093071.db2.gz NXPBLPRLFDBJSH-UHFFFAOYSA-N 1 0 246.807 3.807 20 0 BHADRO CCc1noc(C)c1C[N@@H+](CC)C(CC)CC ZINC000344033882 354097777 /nfs/dbraw/zinc/09/77/77/354097777.db2.gz GAMHCCUGRFOVTF-UHFFFAOYSA-N 1 0 238.375 3.556 20 0 BHADRO Cc1cccc(C[N@@H+](C(C)C)C2CCCCC2)n1 ZINC000344034327 354099176 /nfs/dbraw/zinc/09/91/76/354099176.db2.gz PKYYFUQFIKKSIN-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC000344035377 354100929 /nfs/dbraw/zinc/10/09/29/354100929.db2.gz RYARQZWNHKCTBZ-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CSCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344035480 354100883 /nfs/dbraw/zinc/10/08/83/354100883.db2.gz RKYYLOPKQKPQME-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CSCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344035481 354100829 /nfs/dbraw/zinc/10/08/29/354100829.db2.gz RKYYLOPKQKPQME-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO CC(C)[N@H+](CCc1cccnc1)C1CCCCC1 ZINC000344039245 354104903 /nfs/dbraw/zinc/10/49/03/354104903.db2.gz VMBZQTOHSXMCIN-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1sc(C)nc1C ZINC000344045012 354082830 /nfs/dbraw/zinc/08/28/30/354082830.db2.gz XYUBCOOSXKNNJZ-UHFFFAOYSA-N 1 0 240.416 3.770 20 0 BHADRO CCC(CC)[N@H+](CC)CCCc1ccncc1 ZINC000344047007 354120965 /nfs/dbraw/zinc/12/09/65/354120965.db2.gz YCVXFAGMVVESOR-UHFFFAOYSA-N 1 0 234.387 3.525 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344049481 354122140 /nfs/dbraw/zinc/12/21/40/354122140.db2.gz KUDDFVWLQZIELN-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344049482 354122145 /nfs/dbraw/zinc/12/21/45/354122145.db2.gz KUDDFVWLQZIELN-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344049483 354122090 /nfs/dbraw/zinc/12/20/90/354122090.db2.gz KUDDFVWLQZIELN-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344049485 354122439 /nfs/dbraw/zinc/12/24/39/354122439.db2.gz KUDDFVWLQZIELN-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1nc(C)sc1C ZINC000344050080 354123295 /nfs/dbraw/zinc/12/32/95/354123295.db2.gz ZOQVCUCQVDIQAI-UHFFFAOYSA-N 1 0 240.416 3.770 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344055935 354126920 /nfs/dbraw/zinc/12/69/20/354126920.db2.gz LGQAFQCGLKLFFI-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344055938 354126529 /nfs/dbraw/zinc/12/65/29/354126529.db2.gz LGQAFQCGLKLFFI-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344055941 354126337 /nfs/dbraw/zinc/12/63/37/354126337.db2.gz LGQAFQCGLKLFFI-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344055944 354126362 /nfs/dbraw/zinc/12/63/62/354126362.db2.gz LGQAFQCGLKLFFI-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)CCC2 ZINC000344071943 354132436 /nfs/dbraw/zinc/13/24/36/354132436.db2.gz UZHIXWSONOZHPL-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CC1CCC1)CCC2 ZINC000344071944 354132477 /nfs/dbraw/zinc/13/24/77/354132477.db2.gz UZHIXWSONOZHPL-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)c2ccccc21 ZINC000344078619 388504493 /nfs/dbraw/zinc/50/44/93/388504493.db2.gz NWQSSSQTHLZYIC-DDTOSNHZSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CSC2(C)C)c2ccccc21 ZINC000344078620 388504739 /nfs/dbraw/zinc/50/47/39/388504739.db2.gz NWQSSSQTHLZYIC-HONMWMINSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CSC2(C)C)c2ccccc21 ZINC000344078621 388504808 /nfs/dbraw/zinc/50/48/08/388504808.db2.gz NWQSSSQTHLZYIC-LERXQTSPSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)c2ccccc21 ZINC000344078622 388504870 /nfs/dbraw/zinc/50/48/70/388504870.db2.gz NWQSSSQTHLZYIC-SWHYSGLUSA-N 1 0 247.407 3.719 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccccc1N(C)C ZINC000344116917 535244635 /nfs/dbraw/zinc/24/46/35/535244635.db2.gz OHKPETCRVQYHDI-SREVYHEPSA-N 1 0 246.398 3.541 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccccc1N(C)C ZINC000344116918 354142734 /nfs/dbraw/zinc/14/27/34/354142734.db2.gz OHKPETCRVQYHDI-VOTSOKGWSA-N 1 0 246.398 3.541 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)c2ccccc21 ZINC000344119060 354143407 /nfs/dbraw/zinc/14/34/07/354143407.db2.gz VZLUPXGOIXABTC-BLTAXRJOSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)c2ccccc21 ZINC000344119066 354143722 /nfs/dbraw/zinc/14/37/22/354143722.db2.gz VZLUPXGOIXABTC-FJJYHAOUSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)c2ccccc21 ZINC000344119068 354143164 /nfs/dbraw/zinc/14/31/64/354143164.db2.gz VZLUPXGOIXABTC-YXMPFFBPSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)c2ccccc21 ZINC000344119070 354143344 /nfs/dbraw/zinc/14/33/44/354143344.db2.gz VZLUPXGOIXABTC-ZAZJYDDPSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000344166224 135750611 /nfs/dbraw/zinc/75/06/11/135750611.db2.gz KFDPHPOOKOKIJB-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000344166225 135750225 /nfs/dbraw/zinc/75/02/25/135750225.db2.gz KFDPHPOOKOKIJB-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000344166226 354169945 /nfs/dbraw/zinc/16/99/45/354169945.db2.gz KFDPHPOOKOKIJB-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000344166227 354169745 /nfs/dbraw/zinc/16/97/45/354169745.db2.gz KFDPHPOOKOKIJB-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344174584 354173091 /nfs/dbraw/zinc/17/30/91/354173091.db2.gz VVTNSNXAENKJCL-GXTWGEPZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344174585 354172941 /nfs/dbraw/zinc/17/29/41/354172941.db2.gz VVTNSNXAENKJCL-JSGCOSHPSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344174586 354172986 /nfs/dbraw/zinc/17/29/86/354172986.db2.gz VVTNSNXAENKJCL-OCCSQVGLSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344174587 354173223 /nfs/dbraw/zinc/17/32/23/354173223.db2.gz VVTNSNXAENKJCL-TZMCWYRMSA-N 1 0 232.371 3.511 20 0 BHADRO C[N@H+](CCCC1CCCCC1)Cc1ccncc1 ZINC000344187222 354178257 /nfs/dbraw/zinc/17/82/57/354178257.db2.gz NPGKTUSMUYRVTJ-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC(C)(C)C2)cn1 ZINC000344187393 538097655 /nfs/dbraw/zinc/09/76/55/538097655.db2.gz GOQIOBMWMPLQIL-AWEZNQCLSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)C2)cn1 ZINC000344187394 538097696 /nfs/dbraw/zinc/09/76/96/538097696.db2.gz GOQIOBMWMPLQIL-CQSZACIVSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCCc2occc2C1 ZINC000344197918 354161343 /nfs/dbraw/zinc/16/13/43/354161343.db2.gz IUBQDGKHDWDJOB-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000344202004 354162161 /nfs/dbraw/zinc/16/21/61/354162161.db2.gz BELPNPJQKLXYKY-BMFZPTHFSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000344202005 354162167 /nfs/dbraw/zinc/16/21/67/354162167.db2.gz BELPNPJQKLXYKY-BPUTZDHNSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000344202006 354162294 /nfs/dbraw/zinc/16/22/94/354162294.db2.gz BELPNPJQKLXYKY-IMJJTQAJSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000344202007 354162553 /nfs/dbraw/zinc/16/25/53/354162553.db2.gz BELPNPJQKLXYKY-KBMXLJTQSA-N 1 0 246.398 3.949 20 0 BHADRO Oc1ccc(C2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000344205966 354163608 /nfs/dbraw/zinc/16/36/08/354163608.db2.gz DOLNANOKBWWROX-UHFFFAOYSA-N 1 0 245.366 3.561 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344213865 354166057 /nfs/dbraw/zinc/16/60/57/354166057.db2.gz OFXWQQQEQTVUTC-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344213866 354165564 /nfs/dbraw/zinc/16/55/64/354165564.db2.gz OFXWQQQEQTVUTC-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344213867 354165715 /nfs/dbraw/zinc/16/57/15/354165715.db2.gz OFXWQQQEQTVUTC-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344213868 354165677 /nfs/dbraw/zinc/16/56/77/354165677.db2.gz OFXWQQQEQTVUTC-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCc3occc3C2)c1 ZINC000344234289 354185460 /nfs/dbraw/zinc/18/54/60/354185460.db2.gz IYBGXPSFYZPUMY-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCc3occc3C2)cc1 ZINC000344234343 354185747 /nfs/dbraw/zinc/18/57/47/354185747.db2.gz JEXVPXIEQBYAGE-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2c1cccc2C ZINC000344235077 354186188 /nfs/dbraw/zinc/18/61/88/354186188.db2.gz QIOLQPAECCUFRL-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000344235088 354186216 /nfs/dbraw/zinc/18/62/16/354186216.db2.gz QIOLQPAECCUFRL-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCCc2occc2C1 ZINC000344237094 354186467 /nfs/dbraw/zinc/18/64/67/354186467.db2.gz AGZDVBOIFYJPEC-CYBMUJFWSA-N 1 0 241.334 3.789 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCCc2occc2C1 ZINC000344237105 354186224 /nfs/dbraw/zinc/18/62/24/354186224.db2.gz AGZDVBOIFYJPEC-ZDUSSCGKSA-N 1 0 241.334 3.789 20 0 BHADRO c1ccc(SCC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000344244935 354188967 /nfs/dbraw/zinc/18/89/67/354188967.db2.gz IBKDNRAHIFDPKI-UHFFFAOYSA-N 1 0 247.407 3.655 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)CCC2 ZINC000344271689 354196445 /nfs/dbraw/zinc/19/64/45/354196445.db2.gz AHSNWGSVGRWJFG-GDBMZVCRSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)CCC2 ZINC000344271722 135756190 /nfs/dbraw/zinc/75/61/90/135756190.db2.gz AHSNWGSVGRWJFG-GOEBONIOSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC=CCC1)CCC2 ZINC000344271725 135755970 /nfs/dbraw/zinc/75/59/70/135755970.db2.gz AHSNWGSVGRWJFG-HOCLYGCPSA-N 1 0 245.341 3.901 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC=CCC1)CCC2 ZINC000344271727 354196110 /nfs/dbraw/zinc/19/61/10/354196110.db2.gz AHSNWGSVGRWJFG-ZBFHGGJFSA-N 1 0 245.341 3.901 20 0 BHADRO c1cc2c(o1)CCC[N@@H+](CCC1CCCC1)C2 ZINC000344275628 354197975 /nfs/dbraw/zinc/19/79/75/354197975.db2.gz NQKPKZTYOFTKCE-UHFFFAOYSA-N 1 0 233.355 3.608 20 0 BHADRO c1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000344278122 354200150 /nfs/dbraw/zinc/20/01/50/354200150.db2.gz XBEHFLODLJSHEE-CVEARBPZSA-N 1 0 241.334 3.706 20 0 BHADRO c1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)co1 ZINC000344278123 354200008 /nfs/dbraw/zinc/20/00/08/354200008.db2.gz XBEHFLODLJSHEE-HOTGVXAUSA-N 1 0 241.334 3.706 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000344278124 135756602 /nfs/dbraw/zinc/75/66/02/135756602.db2.gz XBEHFLODLJSHEE-HZPDHXFCSA-N 1 0 241.334 3.706 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)co1 ZINC000344278125 135756444 /nfs/dbraw/zinc/75/64/44/135756444.db2.gz XBEHFLODLJSHEE-JKSUJKDBSA-N 1 0 241.334 3.706 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)CCC2 ZINC000344301207 538100408 /nfs/dbraw/zinc/10/04/08/538100408.db2.gz RKBNMRJIPBPCHL-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)CCC2 ZINC000344301208 538100424 /nfs/dbraw/zinc/10/04/24/538100424.db2.gz RKBNMRJIPBPCHL-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344304842 354215261 /nfs/dbraw/zinc/21/52/61/354215261.db2.gz OBEMUFHIZIXYQW-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344304846 354215612 /nfs/dbraw/zinc/21/56/12/354215612.db2.gz OBEMUFHIZIXYQW-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000344323845 354247482 /nfs/dbraw/zinc/24/74/82/354247482.db2.gz MGIUKFHGVLDRSE-HZSPNIEDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000344323847 354247398 /nfs/dbraw/zinc/24/73/98/354247398.db2.gz MGIUKFHGVLDRSE-MCIONIFRSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000344323849 354247637 /nfs/dbraw/zinc/24/76/37/354247637.db2.gz MGIUKFHGVLDRSE-MGPQQGTHSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000344323852 354247711 /nfs/dbraw/zinc/24/77/11/354247711.db2.gz MGIUKFHGVLDRSE-RDBSUJKOSA-N 1 0 232.371 3.511 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344350803 135766256 /nfs/dbraw/zinc/76/62/56/135766256.db2.gz MBCNRZAMZROSKS-BFHYXJOUSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344350806 354240294 /nfs/dbraw/zinc/24/02/94/354240294.db2.gz MBCNRZAMZROSKS-HZSPNIEDSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344350808 354240527 /nfs/dbraw/zinc/24/05/27/354240527.db2.gz MBCNRZAMZROSKS-MELADBBJSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344350809 354240322 /nfs/dbraw/zinc/24/03/22/354240322.db2.gz MBCNRZAMZROSKS-MGPQQGTHSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000344357342 136231957 /nfs/dbraw/zinc/23/19/57/136231957.db2.gz UOULMWXSQASAMS-BFHYXJOUSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)o1 ZINC000344357343 136231754 /nfs/dbraw/zinc/23/17/54/136231754.db2.gz UOULMWXSQASAMS-HZSPNIEDSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000344357344 136231688 /nfs/dbraw/zinc/23/16/88/136231688.db2.gz UOULMWXSQASAMS-MELADBBJSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC000344357345 136231703 /nfs/dbraw/zinc/23/17/03/136231703.db2.gz UOULMWXSQASAMS-MGPQQGTHSA-N 1 0 233.355 3.646 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@@H]1CC=CCC1 ZINC000344359853 136231741 /nfs/dbraw/zinc/23/17/41/136231741.db2.gz YXXDZXBJLLMTIZ-GDBMZVCRSA-N 1 0 241.378 3.662 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@H]1CC=CCC1 ZINC000344359867 136231720 /nfs/dbraw/zinc/23/17/20/136231720.db2.gz YXXDZXBJLLMTIZ-GOEBONIOSA-N 1 0 241.378 3.662 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@H]1CC=CCC1 ZINC000344359869 136231955 /nfs/dbraw/zinc/23/19/55/136231955.db2.gz YXXDZXBJLLMTIZ-HOCLYGCPSA-N 1 0 241.378 3.662 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@@H]1CC=CCC1 ZINC000344359873 136231843 /nfs/dbraw/zinc/23/18/43/136231843.db2.gz YXXDZXBJLLMTIZ-ZBFHGGJFSA-N 1 0 241.378 3.662 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000344370859 354246204 /nfs/dbraw/zinc/24/62/04/354246204.db2.gz NUMVZBMHEPXGTJ-DZGCQCFKSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000344370860 135767480 /nfs/dbraw/zinc/76/74/80/135767480.db2.gz NUMVZBMHEPXGTJ-HIFRSBDPSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000344370861 354246349 /nfs/dbraw/zinc/24/63/49/354246349.db2.gz NUMVZBMHEPXGTJ-UKRRQHHQSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000344370862 354246269 /nfs/dbraw/zinc/24/62/69/354246269.db2.gz NUMVZBMHEPXGTJ-ZFWWWQNUSA-N 1 0 246.398 3.696 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000344407381 135768967 /nfs/dbraw/zinc/76/89/67/135768967.db2.gz JFVYZWWYZQJCGQ-LLVKDONJSA-N 1 0 247.313 3.708 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000344407384 354251189 /nfs/dbraw/zinc/25/11/89/354251189.db2.gz JFVYZWWYZQJCGQ-NSHDSACASA-N 1 0 247.313 3.708 20 0 BHADRO CO[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000344411215 536515084 /nfs/dbraw/zinc/51/50/84/536515084.db2.gz RNGITRSLHPALBH-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000344411217 388506863 /nfs/dbraw/zinc/50/68/63/388506863.db2.gz RNGITRSLHPALBH-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000344411218 388506779 /nfs/dbraw/zinc/50/67/79/388506779.db2.gz RNGITRSLHPALBH-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000344411219 388507046 /nfs/dbraw/zinc/50/70/46/388507046.db2.gz RNGITRSLHPALBH-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2)cc(C)c1F ZINC000344455541 135772032 /nfs/dbraw/zinc/77/20/32/135772032.db2.gz UBJBQGABCSXQFZ-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2)cc(C)c1F ZINC000344455548 354263431 /nfs/dbraw/zinc/26/34/31/354263431.db2.gz UBJBQGABCSXQFZ-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc(Cl)ccc1C[N@H+](C)Cc1ccco1 ZINC000344456773 354264026 /nfs/dbraw/zinc/26/40/26/354264026.db2.gz BIMJWCSAQWRLAL-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000344466361 354266285 /nfs/dbraw/zinc/26/62/85/354266285.db2.gz AFOHGFOLVORDCK-HNNXBMFYSA-N 1 0 215.340 3.548 20 0 BHADRO CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000344466367 354266088 /nfs/dbraw/zinc/26/60/88/354266088.db2.gz AFOHGFOLVORDCK-OAHLLOKOSA-N 1 0 215.340 3.548 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@@H]1CCC(C)(C)C1 ZINC000344499916 354289141 /nfs/dbraw/zinc/28/91/41/354289141.db2.gz PZQOAQNPMSKUDW-GFCCVEGCSA-N 1 0 223.385 3.759 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@H]1CCC(C)(C)C1 ZINC000344499917 354289350 /nfs/dbraw/zinc/28/93/50/354289350.db2.gz PZQOAQNPMSKUDW-LBPRGKRZSA-N 1 0 223.385 3.759 20 0 BHADRO Cc1cc(Cl)ccc1C[N@@H+](C)C1CCC1 ZINC000344502425 354289647 /nfs/dbraw/zinc/28/96/47/354289647.db2.gz UJJROLYVXWEYBH-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO C[N@H+](Cc1cccs1)[C@@H]1CCC(C)(C)C1 ZINC000344506126 354290554 /nfs/dbraw/zinc/29/05/54/354290554.db2.gz XSXGTGLYTAGZLE-LLVKDONJSA-N 1 0 223.385 3.759 20 0 BHADRO C[N@H+](Cc1cccs1)[C@H]1CCC(C)(C)C1 ZINC000344506128 354290790 /nfs/dbraw/zinc/29/07/90/354290790.db2.gz XSXGTGLYTAGZLE-NSHDSACASA-N 1 0 223.385 3.759 20 0 BHADRO Cc1cc(Cl)ccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000344524135 354278843 /nfs/dbraw/zinc/27/88/43/354278843.db2.gz SXZOFHSEEQNDHS-UHFFFAOYSA-N 1 0 248.757 3.609 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000344548468 365704089 /nfs/dbraw/zinc/70/40/89/365704089.db2.gz JUDZNYYCCQGJEE-BFJAYTPKSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000344548469 365704113 /nfs/dbraw/zinc/70/41/13/365704113.db2.gz JUDZNYYCCQGJEE-IOASZLSFSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000344548470 365704056 /nfs/dbraw/zinc/70/40/56/365704056.db2.gz JUDZNYYCCQGJEE-XNISGKROSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccncc1 ZINC000344554601 354292831 /nfs/dbraw/zinc/29/28/31/354292831.db2.gz QDWGRHGTMBWEJQ-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccncc1 ZINC000344554602 354292904 /nfs/dbraw/zinc/29/29/04/354292904.db2.gz QDWGRHGTMBWEJQ-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000344576839 350596050 /nfs/dbraw/zinc/59/60/50/350596050.db2.gz CRYJIIGFQCZOLR-SNPRPXQTSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000344576840 365705305 /nfs/dbraw/zinc/70/53/05/365705305.db2.gz CRYJIIGFQCZOLR-YUELXQCFSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+]Cc1sccc1C)c1ccncc1 ZINC000344578456 354309698 /nfs/dbraw/zinc/30/96/98/354309698.db2.gz FDQJPWAQIGQORO-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1sccc1C)c1ccncc1 ZINC000344578457 354309516 /nfs/dbraw/zinc/30/95/16/354309516.db2.gz FDQJPWAQIGQORO-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)c1)c1ccncc1 ZINC000344583619 354311145 /nfs/dbraw/zinc/31/11/45/354311145.db2.gz LVCDZLPYDWFRRU-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1ccncc1 ZINC000344583622 354310989 /nfs/dbraw/zinc/31/09/89/354310989.db2.gz LVCDZLPYDWFRRU-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)s1)c1ccncc1 ZINC000344589679 354321401 /nfs/dbraw/zinc/32/14/01/354321401.db2.gz VNFKPQCYQDVZJO-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1ccncc1 ZINC000344589680 354321234 /nfs/dbraw/zinc/32/12/34/354321234.db2.gz VNFKPQCYQDVZJO-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1C)c1ccncc1 ZINC000344591192 354321244 /nfs/dbraw/zinc/32/12/44/354321244.db2.gz YOCINWDPWADTGR-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1C)c1ccncc1 ZINC000344591194 354321667 /nfs/dbraw/zinc/32/16/67/354321667.db2.gz YOCINWDPWADTGR-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccs2)o1 ZINC000344594413 354322901 /nfs/dbraw/zinc/32/29/01/354322901.db2.gz BMKWOGTXXIGRIY-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2cccs2)o1 ZINC000344594414 354322914 /nfs/dbraw/zinc/32/29/14/354322914.db2.gz BMKWOGTXXIGRIY-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2)o1 ZINC000344599996 354323742 /nfs/dbraw/zinc/32/37/42/354323742.db2.gz DUZGWMYDNWSBOM-CYBMUJFWSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2)o1 ZINC000344599997 135786635 /nfs/dbraw/zinc/78/66/35/135786635.db2.gz DUZGWMYDNWSBOM-ZDUSSCGKSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1csc(C[NH2+]Cc2csc(C)c2)c1 ZINC000344604635 388507712 /nfs/dbraw/zinc/50/77/12/388507712.db2.gz AXLBQOYHQGWSOE-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO C[C@H](CSC1CCC(C)(C)CC1)[NH+](C)C ZINC000344605978 354325049 /nfs/dbraw/zinc/32/50/49/354325049.db2.gz IJMUOUIYBSXDHH-LLVKDONJSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H](CSC1CCC(C)(C)CC1)[NH+](C)C ZINC000344605979 354324969 /nfs/dbraw/zinc/32/49/69/354324969.db2.gz IJMUOUIYBSXDHH-NSHDSACASA-N 1 0 229.433 3.639 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000344607872 365712854 /nfs/dbraw/zinc/71/28/54/365712854.db2.gz GRERJKXZSCYXCT-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000344607873 388507909 /nfs/dbraw/zinc/50/79/09/388507909.db2.gz GRERJKXZSCYXCT-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000344610810 388507775 /nfs/dbraw/zinc/50/77/75/388507775.db2.gz LLXJAIQDMBFZMK-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000344611550 188085195 /nfs/dbraw/zinc/08/51/95/188085195.db2.gz LLXJAIQDMBFZMK-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO Cc1csc(C[NH2+]Cc2sccc2C)c1 ZINC000344612630 388507887 /nfs/dbraw/zinc/50/78/87/388507887.db2.gz OAVFLABQGPUORA-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO CC(C)[N@H+](CCSc1ccccc1)C1CC1 ZINC000344612702 354325808 /nfs/dbraw/zinc/32/58/08/354325808.db2.gz WUUWSUDQTXFICW-UHFFFAOYSA-N 1 0 235.396 3.652 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000344613430 388507949 /nfs/dbraw/zinc/50/79/49/388507949.db2.gz OWZKJMLYVJZYDT-LLVKDONJSA-N 1 0 247.363 3.613 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000344613431 388507838 /nfs/dbraw/zinc/50/78/38/388507838.db2.gz OWZKJMLYVJZYDT-NSHDSACASA-N 1 0 247.363 3.613 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cc(C)cs2)o1 ZINC000344617219 171808892 /nfs/dbraw/zinc/80/88/92/171808892.db2.gz URARUXKPQIXIHJ-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000344617330 188084906 /nfs/dbraw/zinc/08/49/06/188084906.db2.gz VAHWVYHFOBQRJC-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000344617331 388507731 /nfs/dbraw/zinc/50/77/31/388507731.db2.gz VAHWVYHFOBQRJC-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)o1 ZINC000344620200 354327458 /nfs/dbraw/zinc/32/74/58/354327458.db2.gz JHFZZHPHGKECFS-DYEKYZERSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)o1 ZINC000344620204 354327691 /nfs/dbraw/zinc/32/76/91/354327691.db2.gz JHFZZHPHGKECFS-MBNYWOFBSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C)C2)o1 ZINC000344620205 354327648 /nfs/dbraw/zinc/32/76/48/354327648.db2.gz JHFZZHPHGKECFS-OBJOEFQTSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)o1 ZINC000344620206 354327296 /nfs/dbraw/zinc/32/72/96/354327296.db2.gz JHFZZHPHGKECFS-SGMGOOAPSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccsc2C)c1 ZINC000344620555 188256908 /nfs/dbraw/zinc/25/69/08/188256908.db2.gz JGIQGZLXTCCPHC-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)s2)c1 ZINC000344620839 398082016 /nfs/dbraw/zinc/08/20/16/398082016.db2.gz YMBXKASKIFYWGG-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000344620887 388507826 /nfs/dbraw/zinc/50/78/26/388507826.db2.gz YSYKHXLGMVDNIR-UHFFFAOYSA-N 1 0 241.743 3.593 20 0 BHADRO Cc1csc(C[NH2+]C2CCC(C)CC2)c1 ZINC000344620909 388507658 /nfs/dbraw/zinc/50/76/58/388507658.db2.gz ZCSBSNSGARAHHY-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccsc2)o1 ZINC000344631296 354330288 /nfs/dbraw/zinc/33/02/88/354330288.db2.gz QVDGCHBMTBQJID-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccsc2)o1 ZINC000344631297 354330795 /nfs/dbraw/zinc/33/07/95/354330795.db2.gz QVDGCHBMTBQJID-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C)o2)o1 ZINC000344632887 354331503 /nfs/dbraw/zinc/33/15/03/354331503.db2.gz STSIFWZAVVCJCE-LLVKDONJSA-N 1 0 247.338 3.600 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C)o2)o1 ZINC000344632893 354331479 /nfs/dbraw/zinc/33/14/79/354331479.db2.gz STSIFWZAVVCJCE-NSHDSACASA-N 1 0 247.338 3.600 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2occc2C)o1 ZINC000344634068 354331331 /nfs/dbraw/zinc/33/13/31/354331331.db2.gz TWSIGIUNWTUZKO-GFCCVEGCSA-N 1 0 247.338 3.600 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]Cc2occc2C)o1 ZINC000344634069 354331336 /nfs/dbraw/zinc/33/13/36/354331336.db2.gz TWSIGIUNWTUZKO-LBPRGKRZSA-N 1 0 247.338 3.600 20 0 BHADRO c1coc(C[NH2+]C2(Cc3ccccc3)CCC2)c1 ZINC000344655044 354338797 /nfs/dbraw/zinc/33/87/97/354338797.db2.gz FEDXGJBOIYMEHH-UHFFFAOYSA-N 1 0 241.334 3.535 20 0 BHADRO Cc1ncn(C/C=C\c2ccc(Cl)cc2)c1C ZINC000344673655 388509290 /nfs/dbraw/zinc/50/92/90/388509290.db2.gz LQMZJEVYCNPNFR-ARJAWSKDSA-N 1 0 246.741 3.867 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000344674660 354344026 /nfs/dbraw/zinc/34/40/26/354344026.db2.gz HOJWVDKQMNNUIF-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000344674661 354344056 /nfs/dbraw/zinc/34/40/56/354344056.db2.gz HOJWVDKQMNNUIF-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CCCCC[N@H+](Cc1cncc(F)c1)C(C)C ZINC000344685008 354333298 /nfs/dbraw/zinc/33/32/98/354333298.db2.gz YMYJGEIVFCVOTQ-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO CC1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000344688037 354334455 /nfs/dbraw/zinc/33/44/55/354334455.db2.gz CMLLFJZIAHFFIP-UHFFFAOYSA-N 1 0 241.334 3.836 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CC2CC2)o1 ZINC000344738346 490385004 /nfs/dbraw/zinc/38/50/04/490385004.db2.gz CWTVGPGIHKMMQZ-NEPJUHHUSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)CC2CC2)o1 ZINC000344738348 490385196 /nfs/dbraw/zinc/38/51/96/490385196.db2.gz CWTVGPGIHKMMQZ-NWDGAFQWSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)CC2CC2)o1 ZINC000344738349 178537557 /nfs/dbraw/zinc/53/75/57/178537557.db2.gz CWTVGPGIHKMMQZ-RYUDHWBXSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)CC2CC2)o1 ZINC000344738350 490385278 /nfs/dbraw/zinc/38/52/78/490385278.db2.gz CWTVGPGIHKMMQZ-VXGBXAGGSA-N 1 0 235.371 3.687 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)CC1CCCC1 ZINC000344749537 354350087 /nfs/dbraw/zinc/35/00/87/354350087.db2.gz OKRNQGYZJIYUOR-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000344749538 354349887 /nfs/dbraw/zinc/34/98/87/354349887.db2.gz OKRNQGYZJIYUOR-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CC1CCCC1 ZINC000344749539 135791761 /nfs/dbraw/zinc/79/17/61/135791761.db2.gz OKRNQGYZJIYUOR-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)CC1CCCC1 ZINC000344749540 354350098 /nfs/dbraw/zinc/35/00/98/354350098.db2.gz OKRNQGYZJIYUOR-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)Cc2ccncc2)CC1 ZINC000344765587 535322438 /nfs/dbraw/zinc/32/24/38/535322438.db2.gz COOPTCIHZQJOTG-HLIUYOAVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@H](C)Cc2ccncc2)CC1 ZINC000344765589 354356650 /nfs/dbraw/zinc/35/66/50/354356650.db2.gz COOPTCIHZQJOTG-VQCLRJIVSA-N 1 0 246.398 3.571 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)o1 ZINC000344766000 354356566 /nfs/dbraw/zinc/35/65/66/354356566.db2.gz BFRLFLKTBACUAG-JTQLQIEISA-N 1 0 243.297 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)o1 ZINC000344766001 354356658 /nfs/dbraw/zinc/35/66/58/354356658.db2.gz BFRLFLKTBACUAG-SNVBAGLBSA-N 1 0 243.297 3.510 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+]C1CCC(C)(C)CC1 ZINC000344776316 135795354 /nfs/dbraw/zinc/79/53/54/135795354.db2.gz PLSNPMJRIYDERQ-CYBMUJFWSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+]C1CCC(C)(C)CC1 ZINC000344776317 354362821 /nfs/dbraw/zinc/36/28/21/354362821.db2.gz PLSNPMJRIYDERQ-ZDUSSCGKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1CCC(C)(C)CC1 ZINC000344832132 386755713 /nfs/dbraw/zinc/75/57/13/386755713.db2.gz CFKRIYAVKSWLEO-GFCCVEGCSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1CCC(C)(C)CC1 ZINC000344832180 135800113 /nfs/dbraw/zinc/80/01/13/135800113.db2.gz CFKRIYAVKSWLEO-LBPRGKRZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(Cl)c1 ZINC000344844010 135801220 /nfs/dbraw/zinc/80/12/20/135801220.db2.gz YGKSTXUOWMDVRA-LLVKDONJSA-N 1 0 249.741 3.654 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(Cl)c1 ZINC000344844013 386759917 /nfs/dbraw/zinc/75/99/17/386759917.db2.gz YGKSTXUOWMDVRA-NSHDSACASA-N 1 0 249.741 3.654 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000344871007 135804116 /nfs/dbraw/zinc/80/41/16/135804116.db2.gz FGPUBCHZNQZPQK-COMQUAJESA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000344871008 386785865 /nfs/dbraw/zinc/78/58/65/386785865.db2.gz FGPUBCHZNQZPQK-JHJVBQTASA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000344871009 386786014 /nfs/dbraw/zinc/78/60/14/386786014.db2.gz FGPUBCHZNQZPQK-SFDCQRBFSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000344871010 135804088 /nfs/dbraw/zinc/80/40/88/135804088.db2.gz FGPUBCHZNQZPQK-UPJWGTAASA-N 1 0 235.371 3.625 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccoc2)c(C)c1 ZINC000344871040 386785988 /nfs/dbraw/zinc/78/59/88/386785988.db2.gz FKPWBJWUJZCUTH-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)Cc2ccoc2)c(C)c1 ZINC000344871042 386786924 /nfs/dbraw/zinc/78/69/24/386786924.db2.gz FKPWBJWUJZCUTH-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO CC1(C)C[NH+](Cc2ccco2)CC(C)(C)C1 ZINC000344881751 386789649 /nfs/dbraw/zinc/78/96/49/386789649.db2.gz HVHWDIZZHSXLSM-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)Cc2ccoc2)s1 ZINC000344901395 386797049 /nfs/dbraw/zinc/79/70/49/386797049.db2.gz SBYYJLMMLMKBGL-LLVKDONJSA-N 1 0 249.379 3.624 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)Cc2ccoc2)s1 ZINC000344901403 135805925 /nfs/dbraw/zinc/80/59/25/135805925.db2.gz SBYYJLMMLMKBGL-NSHDSACASA-N 1 0 249.379 3.624 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000344934162 135807630 /nfs/dbraw/zinc/80/76/30/135807630.db2.gz VDKGSMODNADQKQ-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000344934163 386810036 /nfs/dbraw/zinc/81/00/36/386810036.db2.gz VDKGSMODNADQKQ-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000344934164 386809590 /nfs/dbraw/zinc/80/95/90/386809590.db2.gz VDKGSMODNADQKQ-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000344934165 386810177 /nfs/dbraw/zinc/81/01/77/386810177.db2.gz VDKGSMODNADQKQ-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000344958227 354383203 /nfs/dbraw/zinc/38/32/03/354383203.db2.gz SCWFSCYRVVUOSI-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000344958229 354383479 /nfs/dbraw/zinc/38/34/79/354383479.db2.gz SCWFSCYRVVUOSI-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000344985571 354388518 /nfs/dbraw/zinc/38/85/18/354388518.db2.gz GZVDYJQNSNGDON-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000344985577 354388855 /nfs/dbraw/zinc/38/88/55/354388855.db2.gz GZVDYJQNSNGDON-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C3CC3)CCC2)o1 ZINC000345022034 388510017 /nfs/dbraw/zinc/51/00/17/388510017.db2.gz QIALTVWXXATQIN-UHFFFAOYSA-N 1 0 233.355 3.512 20 0 BHADRO C[C@@H]1[C@H]([NH2+]Cc2ccoc2)C[C@H]1c1ccccc1 ZINC000345042458 398272852 /nfs/dbraw/zinc/27/28/52/398272852.db2.gz NHJKQWSRMKQCMQ-APHBMKBZSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccoc1 ZINC000345042459 398272570 /nfs/dbraw/zinc/27/25/70/398272570.db2.gz NHJKQWSRMKQCMQ-MAZHCROVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000345042460 398272890 /nfs/dbraw/zinc/27/28/90/398272890.db2.gz NHJKQWSRMKQCMQ-RCBQFDQVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@@H]1[C@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000345042461 398272785 /nfs/dbraw/zinc/27/27/85/398272785.db2.gz NHJKQWSRMKQCMQ-VBNZEHGJSA-N 1 0 241.334 3.561 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000345093652 385993843 /nfs/dbraw/zinc/99/38/43/385993843.db2.gz UNOGXJSLMATUPY-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)nc1 ZINC000345097367 388510812 /nfs/dbraw/zinc/51/08/12/388510812.db2.gz LMEVHVBNWVCZKS-DVOMOZLQSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)nc1 ZINC000345097378 388511377 /nfs/dbraw/zinc/51/13/77/388511377.db2.gz LMEVHVBNWVCZKS-HEHGZKQESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)nc1 ZINC000345097384 388511052 /nfs/dbraw/zinc/51/10/52/388511052.db2.gz LMEVHVBNWVCZKS-WOSRLPQWSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)nc1 ZINC000345097402 171810350 /nfs/dbraw/zinc/81/03/50/171810350.db2.gz LMEVHVBNWVCZKS-XJKCOSOUSA-N 1 0 246.398 3.558 20 0 BHADRO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)cc1 ZINC000345099864 385997948 /nfs/dbraw/zinc/99/79/48/385997948.db2.gz SUPWWSDHOUOKOC-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000345203279 386057593 /nfs/dbraw/zinc/05/75/93/386057593.db2.gz COGOZRKLIUBCNR-JTQLQIEISA-N 1 0 225.282 3.512 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cnn1C(C)C ZINC000345306884 386097887 /nfs/dbraw/zinc/09/78/87/386097887.db2.gz UITTZCVWADFEGA-DYEKYZERSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cnn1C(C)C ZINC000345306885 135895727 /nfs/dbraw/zinc/89/57/27/135895727.db2.gz UITTZCVWADFEGA-MBNYWOFBSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cnn1C(C)C ZINC000345306886 386097826 /nfs/dbraw/zinc/09/78/26/386097826.db2.gz UITTZCVWADFEGA-OBJOEFQTSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cnn1C(C)C ZINC000345306887 386097621 /nfs/dbraw/zinc/09/76/21/386097621.db2.gz UITTZCVWADFEGA-SGMGOOAPSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CC2CCCC2)cnn1C(C)C ZINC000345315260 386104283 /nfs/dbraw/zinc/10/42/83/386104283.db2.gz QUENFDPEVPDBPH-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@H](C)[NH2+]CC2CCCC2)cnn1C(C)C ZINC000345315262 386103532 /nfs/dbraw/zinc/10/35/32/386103532.db2.gz QUENFDPEVPDBPH-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353320 383950431 /nfs/dbraw/zinc/95/04/31/383950431.db2.gz KCIBIVJSDAYSFG-NEPJUHHUSA-N 1 0 249.402 3.551 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353322 177330571 /nfs/dbraw/zinc/33/05/71/177330571.db2.gz KCIBIVJSDAYSFG-NWDGAFQWSA-N 1 0 249.402 3.551 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353324 177368609 /nfs/dbraw/zinc/36/86/09/177368609.db2.gz KCIBIVJSDAYSFG-RYUDHWBXSA-N 1 0 249.402 3.551 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353325 176374666 /nfs/dbraw/zinc/37/46/66/176374666.db2.gz KCIBIVJSDAYSFG-VXGBXAGGSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000345354470 388513000 /nfs/dbraw/zinc/51/30/00/388513000.db2.gz LLIUAXKBSOHXGE-BFHYXJOUSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000345354471 388513597 /nfs/dbraw/zinc/51/35/97/388513597.db2.gz LLIUAXKBSOHXGE-IHRRRGAJSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000345354472 388514172 /nfs/dbraw/zinc/51/41/72/388514172.db2.gz LLIUAXKBSOHXGE-MELADBBJSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000345354473 388514128 /nfs/dbraw/zinc/51/41/28/388514128.db2.gz LLIUAXKBSOHXGE-MJBXVCDLSA-N 1 0 249.402 3.693 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000345364690 354635289 /nfs/dbraw/zinc/63/52/89/354635289.db2.gz FDTDJIWIAZZWBH-LLVKDONJSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1occc1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345364691 133763716 /nfs/dbraw/zinc/76/37/16/133763716.db2.gz FDTDJIWIAZZWBH-NSHDSACASA-N 1 0 247.313 3.620 20 0 BHADRO c1cc(C[NH2+]C2CCC3(CCCCC3)CC2)c[nH]1 ZINC000345429181 354655436 /nfs/dbraw/zinc/65/54/36/354655436.db2.gz JFJOEMCMENLRMG-UHFFFAOYSA-N 1 0 246.398 3.997 20 0 BHADRO COC(C)(C)CC[N@H+](Cc1ccccc1)C(C)C ZINC000345781691 354763107 /nfs/dbraw/zinc/76/31/07/354763107.db2.gz ZQKOZOUBALCUNF-UHFFFAOYSA-N 1 0 249.398 3.712 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000345789896 135472072 /nfs/dbraw/zinc/47/20/72/135472072.db2.gz HOVGZIWWASQDCD-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000345789913 388515250 /nfs/dbraw/zinc/51/52/50/388515250.db2.gz HOVGZIWWASQDCD-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(F)cc1F ZINC000345809027 344516344 /nfs/dbraw/zinc/51/63/44/344516344.db2.gz JNAWMPPLFPPJDB-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(F)cc1F ZINC000345809028 344516510 /nfs/dbraw/zinc/51/65/10/344516510.db2.gz JNAWMPPLFPPJDB-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cc(F)ccc1F ZINC000345812793 365918297 /nfs/dbraw/zinc/91/82/97/365918297.db2.gz GOZCUROKTWVMEE-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cc(F)ccc1F ZINC000345812794 365919198 /nfs/dbraw/zinc/91/91/98/365919198.db2.gz GOZCUROKTWVMEE-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000345817159 388515745 /nfs/dbraw/zinc/51/57/45/388515745.db2.gz ONBFVICROPREGN-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000345817160 388515432 /nfs/dbraw/zinc/51/54/32/388515432.db2.gz ONBFVICROPREGN-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000345842397 386121701 /nfs/dbraw/zinc/12/17/01/386121701.db2.gz IRQGCGJMTMQVPE-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000345842399 386121742 /nfs/dbraw/zinc/12/17/42/386121742.db2.gz IRQGCGJMTMQVPE-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000345842400 386121838 /nfs/dbraw/zinc/12/18/38/386121838.db2.gz IRQGCGJMTMQVPE-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000345842401 386124633 /nfs/dbraw/zinc/12/46/33/386124633.db2.gz IRQGCGJMTMQVPE-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000345843941 388517354 /nfs/dbraw/zinc/51/73/54/388517354.db2.gz GSKRNOWTHSPIDU-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000345843943 388517319 /nfs/dbraw/zinc/51/73/19/388517319.db2.gz GSKRNOWTHSPIDU-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)n1 ZINC000345877844 354794679 /nfs/dbraw/zinc/79/46/79/354794679.db2.gz YNNZLASXBYRMQO-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H](CC(C)C)C2)n1 ZINC000345877846 354795475 /nfs/dbraw/zinc/79/54/75/354795475.db2.gz YNNZLASXBYRMQO-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccncc1 ZINC000346044923 354843432 /nfs/dbraw/zinc/84/34/32/354843432.db2.gz JRGYPQLTHQPWHQ-KBPBESRZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccncc1 ZINC000346044924 354843357 /nfs/dbraw/zinc/84/33/57/354843357.db2.gz JRGYPQLTHQPWHQ-KGLIPLIRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccncc1 ZINC000346044926 354843645 /nfs/dbraw/zinc/84/36/45/354843645.db2.gz JRGYPQLTHQPWHQ-UONOGXRCSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccncc1 ZINC000346044927 354843609 /nfs/dbraw/zinc/84/36/09/354843609.db2.gz JRGYPQLTHQPWHQ-ZIAGYGMSSA-N 1 0 232.371 3.701 20 0 BHADRO Cc1c[nH+]ccc1N(C)Cc1cccc(Cl)c1 ZINC000346109325 386150754 /nfs/dbraw/zinc/15/07/54/386150754.db2.gz ZLZXFMAOXPWBEE-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1c[nH+]ccc1N(C)Cc1ccccc1Cl ZINC000346116916 179703889 /nfs/dbraw/zinc/70/38/89/179703889.db2.gz KMGCDJRGTROQLS-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1c[nH+]ccc1N(C)Cc1ccc(Cl)cc1 ZINC000346124016 386157656 /nfs/dbraw/zinc/15/76/56/386157656.db2.gz WBEIMGZPZSMVME-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO CC(C)c1cnc(C[N@@H+](C)[C@H](C)C(C)C)s1 ZINC000346129784 187362736 /nfs/dbraw/zinc/36/27/36/187362736.db2.gz HJSRQEFLIAPACN-LLVKDONJSA-N 1 0 240.416 3.743 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccnc1 ZINC000346129805 386163047 /nfs/dbraw/zinc/16/30/47/386163047.db2.gz LSLAVXBYBRQAGA-CABCVRRESA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccnc1 ZINC000346129807 187873010 /nfs/dbraw/zinc/87/30/10/187873010.db2.gz LSLAVXBYBRQAGA-GJZGRUSLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccnc1 ZINC000346129809 386163627 /nfs/dbraw/zinc/16/36/27/386163627.db2.gz LSLAVXBYBRQAGA-HUUCEWRRSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccnc1 ZINC000346129811 386163961 /nfs/dbraw/zinc/16/39/61/386163961.db2.gz LSLAVXBYBRQAGA-LSDHHAIUSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000346132462 354869989 /nfs/dbraw/zinc/86/99/89/354869989.db2.gz LPZJZZKELMPJOF-LLVKDONJSA-N 1 0 238.400 3.641 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccoc1 ZINC000346133075 177079624 /nfs/dbraw/zinc/07/96/24/177079624.db2.gz MDJXACBVKWXMQH-GXTWGEPZSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)Cc1ccoc1 ZINC000346133076 177085158 /nfs/dbraw/zinc/08/51/58/177085158.db2.gz MDJXACBVKWXMQH-JSGCOSHPSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)Cc1ccoc1 ZINC000346133077 176084278 /nfs/dbraw/zinc/08/42/78/176084278.db2.gz MDJXACBVKWXMQH-OCCSQVGLSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccoc1 ZINC000346133078 176075290 /nfs/dbraw/zinc/07/52/90/176075290.db2.gz MDJXACBVKWXMQH-TZMCWYRMSA-N 1 0 221.344 3.538 20 0 BHADRO CC[N@H+](Cc1cc(C)c2ncccc2c1)C1CC1 ZINC000346138206 354870054 /nfs/dbraw/zinc/87/00/54/354870054.db2.gz TTZMHRNIWDDIIK-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)c2ncccc2c1 ZINC000346139135 169129379 /nfs/dbraw/zinc/12/93/79/169129379.db2.gz KMYLPOSFHCWPIA-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000346159486 169365657 /nfs/dbraw/zinc/36/56/57/169365657.db2.gz VLEXXOMMHHHUFA-LLVKDONJSA-N 1 0 240.416 3.887 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000346159488 386171872 /nfs/dbraw/zinc/17/18/72/386171872.db2.gz VLEXXOMMHHHUFA-NSHDSACASA-N 1 0 240.416 3.887 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)CC(C)(C)C)s1 ZINC000346162000 386171472 /nfs/dbraw/zinc/17/14/72/386171472.db2.gz YDHTXSKYUMNZCX-UHFFFAOYSA-N 1 0 240.416 3.744 20 0 BHADRO CCC[N@@H+](Cc1ncc(CC)s1)CC(C)C ZINC000346166743 169180294 /nfs/dbraw/zinc/18/02/94/169180294.db2.gz GEQDYFNFGACXDZ-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000346167435 168288704 /nfs/dbraw/zinc/28/87/04/168288704.db2.gz KIKKFRSTMWLPJE-UHFFFAOYSA-N 1 0 240.416 3.887 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C)cc2cccnc12 ZINC000346169724 386172697 /nfs/dbraw/zinc/17/26/97/386172697.db2.gz MXQJOPJGUNVLAU-CYBMUJFWSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C)cc2cccnc12 ZINC000346169725 386172762 /nfs/dbraw/zinc/17/27/62/386172762.db2.gz MXQJOPJGUNVLAU-ZDUSSCGKSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1cc(Cl)ccc1CN1CCC=C(F)C1 ZINC000346175781 178066393 /nfs/dbraw/zinc/06/63/93/178066393.db2.gz CSYWCWDKJWUDEF-UHFFFAOYSA-N 1 0 239.721 3.708 20 0 BHADRO CC[N@H+](Cc1cc(C)c2ncccc2c1)C(C)C ZINC000346187518 386181050 /nfs/dbraw/zinc/18/10/50/386181050.db2.gz WXHMIROVZWYDDB-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO CCc1cnc(C[N@@H+](CC)C[C@H](C)CC)s1 ZINC000346188153 386182300 /nfs/dbraw/zinc/18/23/00/386182300.db2.gz UWGKHLOZBRVFKQ-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CCc1cnc(C[N@@H+](CC)C[C@@H](C)CC)s1 ZINC000346188155 386181453 /nfs/dbraw/zinc/18/14/53/386181453.db2.gz UWGKHLOZBRVFKQ-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000346188891 386180832 /nfs/dbraw/zinc/18/08/32/386180832.db2.gz YFSRGXWJJOAPHB-CYBMUJFWSA-N 1 0 242.366 3.774 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000346188892 171308445 /nfs/dbraw/zinc/30/84/45/171308445.db2.gz YFSRGXWJJOAPHB-ZDUSSCGKSA-N 1 0 242.366 3.774 20 0 BHADRO CCc1cnc(C[N@@H+](CC)[C@H](C)C(C)C)s1 ZINC000346189849 354875866 /nfs/dbraw/zinc/87/58/66/354875866.db2.gz ZSEDMCXZHDFILH-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CCc1cnc(C[N@@H+](CC)[C@@H](C)C(C)C)s1 ZINC000346189850 354876167 /nfs/dbraw/zinc/87/61/67/354876167.db2.gz ZSEDMCXZHDFILH-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2C)n1 ZINC000346194236 179066576 /nfs/dbraw/zinc/06/65/76/179066576.db2.gz XZUSXCDKTZYVAY-DZGCQCFKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2C)n1 ZINC000346194238 179065110 /nfs/dbraw/zinc/06/51/10/179065110.db2.gz XZUSXCDKTZYVAY-HIFRSBDPSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2C)n1 ZINC000346194239 179066557 /nfs/dbraw/zinc/06/65/57/179066557.db2.gz XZUSXCDKTZYVAY-UKRRQHHQSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000346194241 179067286 /nfs/dbraw/zinc/06/72/86/179067286.db2.gz XZUSXCDKTZYVAY-ZFWWWQNUSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC[C@H]1C ZINC000346215278 354873369 /nfs/dbraw/zinc/87/33/69/354873369.db2.gz ZYZWJISTNJLLIM-CABCVRRESA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC[C@@H]1C ZINC000346215279 354873329 /nfs/dbraw/zinc/87/33/29/354873329.db2.gz ZYZWJISTNJLLIM-GJZGRUSLSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H]1CCCC[C@H]1C ZINC000346215280 354873734 /nfs/dbraw/zinc/87/37/34/354873734.db2.gz ZYZWJISTNJLLIM-HUUCEWRRSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H]1CCCC[C@@H]1C ZINC000346215281 354873499 /nfs/dbraw/zinc/87/34/99/354873499.db2.gz ZYZWJISTNJLLIM-LSDHHAIUSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCC2)cc2cccnc12 ZINC000346215571 386173697 /nfs/dbraw/zinc/17/36/97/386173697.db2.gz KMPJSAIGSPQJBZ-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)C)cc2cccnc12 ZINC000346223766 386176023 /nfs/dbraw/zinc/17/60/23/386176023.db2.gz UMHBRRVOJXWSLM-UHFFFAOYSA-N 1 0 242.366 3.631 20 0 BHADRO CC[N@H+](Cc1ncc(C(C)C)s1)C1CCC1 ZINC000346233830 354875276 /nfs/dbraw/zinc/87/52/76/354875276.db2.gz ZNIOKOOGVJOGGK-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC12CCC(CC1)C2 ZINC000346272730 386187051 /nfs/dbraw/zinc/18/70/51/386187051.db2.gz HLPUKRHEVUEPAL-UNXYVOJBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC12CCC(CC1)C2 ZINC000346272733 386187023 /nfs/dbraw/zinc/18/70/23/386187023.db2.gz HLPUKRHEVUEPAL-VOMCLLRMSA-N 1 0 249.320 3.887 20 0 BHADRO CCC[N@H+](CC)Cc1cc(-c2ccccc2)no1 ZINC000346288173 169130228 /nfs/dbraw/zinc/13/02/28/169130228.db2.gz FAHUGODJFXXUJN-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)sc1C ZINC000346319329 354894950 /nfs/dbraw/zinc/89/49/50/354894950.db2.gz RGIFNCOMOALFPM-UHFFFAOYSA-N 1 0 211.374 3.597 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccsc2)CC(C)(C)C1 ZINC000346331652 354898849 /nfs/dbraw/zinc/89/88/49/354898849.db2.gz LWLKQDLSURGBEY-LLVKDONJSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)CC(C)(C)C1 ZINC000346331655 354898997 /nfs/dbraw/zinc/89/89/97/354898997.db2.gz LWLKQDLSURGBEY-NSHDSACASA-N 1 0 223.385 3.616 20 0 BHADRO CCC[N@H+](CC)Cc1cc(F)cc2cccnc21 ZINC000346336247 354899737 /nfs/dbraw/zinc/89/97/37/354899737.db2.gz MRBPNIYYYQLVOO-UHFFFAOYSA-N 1 0 246.329 3.606 20 0 BHADRO CC(C)CC[N@H+](Cc1ccco1)C(C)C ZINC000346339202 386195418 /nfs/dbraw/zinc/19/54/18/386195418.db2.gz PIMLQWNOQQGQSX-UHFFFAOYSA-N 1 0 209.333 3.536 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(F)c2cccnc12 ZINC000346349922 354887451 /nfs/dbraw/zinc/88/74/51/354887451.db2.gz ZYKIRTSZDSKBDI-UHFFFAOYSA-N 1 0 246.329 3.606 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(SC)cc1 ZINC000346351670 354888387 /nfs/dbraw/zinc/88/83/87/354888387.db2.gz NZTVXFNAUFUDQR-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO CCC[N@H+](CC)Cc1nc2ccccc2s1 ZINC000346351894 354888208 /nfs/dbraw/zinc/88/82/08/354888208.db2.gz XNGLNFRAPXVPAR-UHFFFAOYSA-N 1 0 234.368 3.528 20 0 BHADRO CCC(CC)[N@H+](CC[C@@H]1CCCO1)CC(C)C ZINC000346378846 354904926 /nfs/dbraw/zinc/90/49/26/354904926.db2.gz FUZROQJCEPEQBX-HNNXBMFYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)[N@H+](CC[C@H]1CCCO1)CC(C)C ZINC000346378848 354905154 /nfs/dbraw/zinc/90/51/54/354905154.db2.gz FUZROQJCEPEQBX-OAHLLOKOSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000346417860 135925970 /nfs/dbraw/zinc/92/59/70/135925970.db2.gz VZZYHSBORFCMIR-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[N@H+](CC[C@@H]1CCCO1)CC(C)(C)C ZINC000346420706 354922836 /nfs/dbraw/zinc/92/28/36/354922836.db2.gz ZKVRWVKXFRWNNO-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)C[N@H+](CC[C@H]1CCCO1)CC(C)(C)C ZINC000346420707 354923390 /nfs/dbraw/zinc/92/33/90/354923390.db2.gz ZKVRWVKXFRWNNO-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1occc1C[N@H+](C)CCc1ccc(C)cc1 ZINC000346425688 354926832 /nfs/dbraw/zinc/92/68/32/354926832.db2.gz LZTZHYJKEMLMDK-UHFFFAOYSA-N 1 0 243.350 3.571 20 0 BHADRO Cc1ccc(C[N@H+](C)CCc2ccc(C)cc2)o1 ZINC000346428428 354928459 /nfs/dbraw/zinc/92/84/59/354928459.db2.gz VSWWRHZWVPZGTI-UHFFFAOYSA-N 1 0 243.350 3.571 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2ccccn2)CC1 ZINC000346461401 354965715 /nfs/dbraw/zinc/96/57/15/354965715.db2.gz AQRXRKPGQGRQHZ-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2ccncc2)CC1 ZINC000346472054 354955151 /nfs/dbraw/zinc/95/51/51/354955151.db2.gz APKDKFYANILADF-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2cccnc2)CC1 ZINC000346481894 354957942 /nfs/dbraw/zinc/95/79/42/354957942.db2.gz GQJWNVWMZMNJFZ-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCC1(CC)CCC[N@H+](CCCF)CC1 ZINC000346504770 354962366 /nfs/dbraw/zinc/96/23/66/354962366.db2.gz OIIIKPCZMARBMS-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000346515548 535124131 /nfs/dbraw/zinc/12/41/31/535124131.db2.gz YLELQNQZTLVSAA-CABCVRRESA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000346515549 354958629 /nfs/dbraw/zinc/95/86/29/354958629.db2.gz YLELQNQZTLVSAA-GJZGRUSLSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000346515550 354958776 /nfs/dbraw/zinc/95/87/76/354958776.db2.gz YLELQNQZTLVSAA-HUUCEWRRSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000346515551 135935342 /nfs/dbraw/zinc/93/53/42/135935342.db2.gz YLELQNQZTLVSAA-LSDHHAIUSA-N 1 0 239.403 3.600 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000346516305 354973827 /nfs/dbraw/zinc/97/38/27/354973827.db2.gz CRTOURKGCNJVLU-CHWSQXEVSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000346516306 354973347 /nfs/dbraw/zinc/97/33/47/354973347.db2.gz CRTOURKGCNJVLU-OLZOCXBDSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000346516307 354973643 /nfs/dbraw/zinc/97/36/43/354973643.db2.gz CRTOURKGCNJVLU-QWHCGFSZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000346516308 536106383 /nfs/dbraw/zinc/10/63/83/536106383.db2.gz CRTOURKGCNJVLU-STQMWFEESA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)CCC2CC2)cn1 ZINC000346522591 354974334 /nfs/dbraw/zinc/97/43/34/354974334.db2.gz KVJCMYIRMOHHBB-CHWSQXEVSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)CCC2CC2)cn1 ZINC000346522594 354974603 /nfs/dbraw/zinc/97/46/03/354974603.db2.gz KVJCMYIRMOHHBB-OLZOCXBDSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cn1 ZINC000346522596 535065874 /nfs/dbraw/zinc/06/58/74/535065874.db2.gz KVJCMYIRMOHHBB-QWHCGFSZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)CCC2CC2)cn1 ZINC000346522599 354974765 /nfs/dbraw/zinc/97/47/65/354974765.db2.gz KVJCMYIRMOHHBB-STQMWFEESA-N 1 0 249.402 3.693 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H](C)CCC1CC1)C(C)C ZINC000346528340 535611532 /nfs/dbraw/zinc/61/15/32/535611532.db2.gz OSWYLOBASKCUGQ-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H](C)CCC1CC1)C(C)C ZINC000346528341 354977436 /nfs/dbraw/zinc/97/74/36/354977436.db2.gz OSWYLOBASKCUGQ-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@H](C)CCC1CC1)C(C)C ZINC000346528342 354977593 /nfs/dbraw/zinc/97/75/93/354977593.db2.gz OSWYLOBASKCUGQ-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H](C)CCC1CC1)C(C)C ZINC000346528343 354977667 /nfs/dbraw/zinc/97/76/67/354977667.db2.gz OSWYLOBASKCUGQ-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000346547326 354982762 /nfs/dbraw/zinc/98/27/62/354982762.db2.gz AIMNBFMZKNYQOT-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000346547329 354983028 /nfs/dbraw/zinc/98/30/28/354983028.db2.gz AIMNBFMZKNYQOT-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000346547331 354982685 /nfs/dbraw/zinc/98/26/85/354982685.db2.gz AIMNBFMZKNYQOT-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000346547333 354982859 /nfs/dbraw/zinc/98/28/59/354982859.db2.gz AIMNBFMZKNYQOT-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000346557054 354967659 /nfs/dbraw/zinc/96/76/59/354967659.db2.gz KUWHZOTUMYUZOC-BHPKHCPMSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000346557056 354967198 /nfs/dbraw/zinc/96/71/98/354967198.db2.gz KUWHZOTUMYUZOC-COMQUAJESA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000346557058 354967496 /nfs/dbraw/zinc/96/74/96/354967496.db2.gz KUWHZOTUMYUZOC-CXTNEJHOSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000346557060 354967708 /nfs/dbraw/zinc/96/77/08/354967708.db2.gz KUWHZOTUMYUZOC-OSFYFWSMSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560665 354968372 /nfs/dbraw/zinc/96/83/72/354968372.db2.gz JPAALTWYISZWSM-CPCISQLKSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560666 354968166 /nfs/dbraw/zinc/96/81/66/354968166.db2.gz JPAALTWYISZWSM-HQJQHLMTSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560667 354968412 /nfs/dbraw/zinc/96/84/12/354968412.db2.gz JPAALTWYISZWSM-RDDDGLTNSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560668 354968541 /nfs/dbraw/zinc/96/85/41/354968541.db2.gz JPAALTWYISZWSM-WRWORJQWSA-N 1 0 243.272 3.553 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000346562764 354969269 /nfs/dbraw/zinc/96/92/69/354969269.db2.gz KZRUPLXTQQXRSR-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000346562765 354969622 /nfs/dbraw/zinc/96/96/22/354969622.db2.gz KZRUPLXTQQXRSR-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000346562766 135937747 /nfs/dbraw/zinc/93/77/47/135937747.db2.gz KZRUPLXTQQXRSR-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000346562767 354969529 /nfs/dbraw/zinc/96/95/29/354969529.db2.gz KZRUPLXTQQXRSR-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H]1CCC(C)(C)C1)C(C)C ZINC000346565410 354970185 /nfs/dbraw/zinc/97/01/85/354970185.db2.gz SLDXFZBUVFGEIJ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H]1CCC(C)(C)C1)C(C)C ZINC000346565412 354970391 /nfs/dbraw/zinc/97/03/91/354970391.db2.gz SLDXFZBUVFGEIJ-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@H]1CCC(C)(C)C1)C(C)C ZINC000346565413 354970414 /nfs/dbraw/zinc/97/04/14/354970414.db2.gz SLDXFZBUVFGEIJ-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H]1CCC(C)(C)C1)C(C)C ZINC000346565415 354970225 /nfs/dbraw/zinc/97/02/25/354970225.db2.gz SLDXFZBUVFGEIJ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC1(C)C)c1ccccn1 ZINC000346566362 354970332 /nfs/dbraw/zinc/97/03/32/354970332.db2.gz FOJSOHNXNGQZHA-KBPBESRZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccn1 ZINC000346566363 354970295 /nfs/dbraw/zinc/97/02/95/354970295.db2.gz FOJSOHNXNGQZHA-KGLIPLIRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccn1 ZINC000346566364 354970629 /nfs/dbraw/zinc/97/06/29/354970629.db2.gz FOJSOHNXNGQZHA-UONOGXRCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccn1 ZINC000346566365 354970548 /nfs/dbraw/zinc/97/05/48/354970548.db2.gz FOJSOHNXNGQZHA-ZIAGYGMSSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC1(C)C ZINC000346568784 354971070 /nfs/dbraw/zinc/97/10/70/354971070.db2.gz ROLKXZVUDXDFMV-DZGCQCFKSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC1(C)C ZINC000346568785 354971052 /nfs/dbraw/zinc/97/10/52/354971052.db2.gz ROLKXZVUDXDFMV-HIFRSBDPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC1(C)C ZINC000346568786 135938495 /nfs/dbraw/zinc/93/84/95/135938495.db2.gz ROLKXZVUDXDFMV-UKRRQHHQSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC1(C)C ZINC000346568787 354971310 /nfs/dbraw/zinc/97/13/10/354971310.db2.gz ROLKXZVUDXDFMV-ZFWWWQNUSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccncc1 ZINC000346572115 354972787 /nfs/dbraw/zinc/97/27/87/354972787.db2.gz ZWEDGSLZLJVTBD-BFJAYTPKSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)c1ccncc1 ZINC000346572116 354973041 /nfs/dbraw/zinc/97/30/41/354973041.db2.gz ZWEDGSLZLJVTBD-DARAHFNDSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)c1ccncc1 ZINC000346572118 354972931 /nfs/dbraw/zinc/97/29/31/354972931.db2.gz ZWEDGSLZLJVTBD-LQKXBSAESA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)c1ccncc1 ZINC000346572120 354972748 /nfs/dbraw/zinc/97/27/48/354972748.db2.gz ZWEDGSLZLJVTBD-LUYZLQTOSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572168 354972984 /nfs/dbraw/zinc/97/29/84/354972984.db2.gz ZAVXNWVYOKKNDY-ABAIWWIYSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572170 354972791 /nfs/dbraw/zinc/97/27/91/354972791.db2.gz ZAVXNWVYOKKNDY-IAQYHMDHSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572172 354972974 /nfs/dbraw/zinc/97/29/74/354972974.db2.gz ZAVXNWVYOKKNDY-NHYWBVRUSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572174 354972990 /nfs/dbraw/zinc/97/29/90/354972990.db2.gz ZAVXNWVYOKKNDY-XHDPSFHLSA-N 1 0 240.350 3.684 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(OC)c1 ZINC000346575438 135944047 /nfs/dbraw/zinc/94/40/47/135944047.db2.gz OMRRRTZJPNUMSM-KBPBESRZSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(OC)c1 ZINC000346575439 354998484 /nfs/dbraw/zinc/99/84/84/354998484.db2.gz OMRRRTZJPNUMSM-KGLIPLIRSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc(OC)c1 ZINC000346575440 535932389 /nfs/dbraw/zinc/93/23/89/535932389.db2.gz OMRRRTZJPNUMSM-UONOGXRCSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc(OC)c1 ZINC000346575441 354998508 /nfs/dbraw/zinc/99/85/08/354998508.db2.gz OMRRRTZJPNUMSM-ZIAGYGMSSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC1(C)C)CCCO2 ZINC000346584169 355001435 /nfs/dbraw/zinc/00/14/35/355001435.db2.gz XASIDSDPXPIBBQ-DZGCQCFKSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC1(C)C)CCCO2 ZINC000346584173 135945075 /nfs/dbraw/zinc/94/50/75/135945075.db2.gz XASIDSDPXPIBBQ-HIFRSBDPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC1(C)C)CCCO2 ZINC000346584176 355001349 /nfs/dbraw/zinc/00/13/49/355001349.db2.gz XASIDSDPXPIBBQ-UKRRQHHQSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC1(C)C)CCCO2 ZINC000346584178 355001317 /nfs/dbraw/zinc/00/13/17/355001317.db2.gz XASIDSDPXPIBBQ-ZFWWWQNUSA-N 1 0 245.366 3.597 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000346594400 354987730 /nfs/dbraw/zinc/98/77/30/354987730.db2.gz CBTBZWJJMUPXIC-LMWSTFAQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000346594405 135941794 /nfs/dbraw/zinc/94/17/94/135941794.db2.gz CBTBZWJJMUPXIC-XGNXJENSSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000346611477 354992680 /nfs/dbraw/zinc/99/26/80/354992680.db2.gz ZGNICNGDUFFVES-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000346611479 135943186 /nfs/dbraw/zinc/94/31/86/135943186.db2.gz ZGNICNGDUFFVES-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000346611480 354992469 /nfs/dbraw/zinc/99/24/69/354992469.db2.gz ZGNICNGDUFFVES-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000346611482 354992612 /nfs/dbraw/zinc/99/26/12/354992612.db2.gz ZGNICNGDUFFVES-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346626786 354996868 /nfs/dbraw/zinc/99/68/68/354996868.db2.gz RBHNDSAYXSWVSW-GXTWGEPZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346626788 536107051 /nfs/dbraw/zinc/10/70/51/536107051.db2.gz RBHNDSAYXSWVSW-JSGCOSHPSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346626789 354996577 /nfs/dbraw/zinc/99/65/77/354996577.db2.gz RBHNDSAYXSWVSW-OCCSQVGLSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346626792 354996511 /nfs/dbraw/zinc/99/65/11/354996511.db2.gz RBHNDSAYXSWVSW-TZMCWYRMSA-N 1 0 246.398 3.873 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000346631170 354998479 /nfs/dbraw/zinc/99/84/79/354998479.db2.gz LJWYYVPBTWUSJG-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000346631171 354998348 /nfs/dbraw/zinc/99/83/48/354998348.db2.gz LJWYYVPBTWUSJG-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000346631173 354998273 /nfs/dbraw/zinc/99/82/73/354998273.db2.gz LJWYYVPBTWUSJG-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000346631176 354998300 /nfs/dbraw/zinc/99/83/00/354998300.db2.gz LJWYYVPBTWUSJG-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1cccc(C[N@H+](C)CCC2CCCCC2)n1 ZINC000346641402 355016467 /nfs/dbraw/zinc/01/64/67/355016467.db2.gz KGTUCKVJDXISEA-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1cccc(C[NH+]2CCC(C(C)(C)C)CC2)n1 ZINC000346644263 355017293 /nfs/dbraw/zinc/01/72/93/355017293.db2.gz ORTXWAHJUBVXOA-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)C[N@H+](CCc1ccncc1)C1CCCC1 ZINC000346729520 355088498 /nfs/dbraw/zinc/08/84/98/355088498.db2.gz FPXWYIUBSMIHLM-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CCCSCC[C@H]1CCC[N@@H+]1C ZINC000346744874 355090901 /nfs/dbraw/zinc/09/09/01/355090901.db2.gz LZEISIPRDZFIPE-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)CCCSCC[C@@H]1CCC[N@@H+]1C ZINC000346744879 355091064 /nfs/dbraw/zinc/09/10/64/355091064.db2.gz LZEISIPRDZFIPE-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2C(C)(C)C2(C)C)cn1 ZINC000346795614 355107553 /nfs/dbraw/zinc/10/75/53/355107553.db2.gz NPRFXNJNYSOSHB-GFCCVEGCSA-N 1 0 246.398 3.550 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)cn1 ZINC000346795616 135971480 /nfs/dbraw/zinc/97/14/80/135971480.db2.gz NPRFXNJNYSOSHB-LBPRGKRZSA-N 1 0 246.398 3.550 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000346796419 135971475 /nfs/dbraw/zinc/97/14/75/135971475.db2.gz PKFQPVISLAJPMJ-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000346796422 135971446 /nfs/dbraw/zinc/97/14/46/135971446.db2.gz PKFQPVISLAJPMJ-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000346796424 355107537 /nfs/dbraw/zinc/10/75/37/355107537.db2.gz PKFQPVISLAJPMJ-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C)nc1 ZINC000346796427 355107267 /nfs/dbraw/zinc/10/72/67/355107267.db2.gz PKFQPVISLAJPMJ-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCOC2CCC2)cc1 ZINC000346835496 355131790 /nfs/dbraw/zinc/13/17/90/355131790.db2.gz ZNQBNEVDOMKCSU-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCOC2CCC2)cc1 ZINC000346835497 355131416 /nfs/dbraw/zinc/13/14/16/355131416.db2.gz ZNQBNEVDOMKCSU-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)c1cccs1)c1ccccn1 ZINC000346869652 355158234 /nfs/dbraw/zinc/15/82/34/355158234.db2.gz NTIHTIHPTPVXAF-LLVKDONJSA-N 1 0 246.379 3.729 20 0 BHADRO C[C@H]([NH2+]C(C)(C)c1cccs1)c1ccccn1 ZINC000346869655 355157861 /nfs/dbraw/zinc/15/78/61/355157861.db2.gz NTIHTIHPTPVXAF-NSHDSACASA-N 1 0 246.379 3.729 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)c1cccs1)c1cccnc1 ZINC000346880755 355144162 /nfs/dbraw/zinc/14/41/62/355144162.db2.gz JRFGUBUYPQSXPK-LLVKDONJSA-N 1 0 246.379 3.729 20 0 BHADRO C[C@H]([NH2+]C(C)(C)c1cccs1)c1cccnc1 ZINC000346880756 355143784 /nfs/dbraw/zinc/14/37/84/355143784.db2.gz JRFGUBUYPQSXPK-NSHDSACASA-N 1 0 246.379 3.729 20 0 BHADRO CC(C)[C@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000346887795 355145829 /nfs/dbraw/zinc/14/58/29/355145829.db2.gz QKQRLZYVNKWKLX-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000346887796 355145506 /nfs/dbraw/zinc/14/55/06/355145506.db2.gz QKQRLZYVNKWKLX-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000346899782 355148622 /nfs/dbraw/zinc/14/86/22/355148622.db2.gz FXXTZVUXZRQJKH-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000346899785 355148392 /nfs/dbraw/zinc/14/83/92/355148392.db2.gz FXXTZVUXZRQJKH-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@H]([NH2+]CCOC1CCC1)c1ccc(C)cc1 ZINC000346910420 355151176 /nfs/dbraw/zinc/15/11/76/355151176.db2.gz QRUYZPQDJXGQQS-INIZCTEOSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(C)cc1 ZINC000346910427 535803887 /nfs/dbraw/zinc/80/38/87/535803887.db2.gz QRUYZPQDJXGQQS-MRXNPFEDSA-N 1 0 247.382 3.605 20 0 BHADRO c1cncc([C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000346968611 355173871 /nfs/dbraw/zinc/17/38/71/355173871.db2.gz LEJLVOWLAHLCNA-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cncc([C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000346968612 355174093 /nfs/dbraw/zinc/17/40/93/355174093.db2.gz LEJLVOWLAHLCNA-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972103 355208401 /nfs/dbraw/zinc/20/84/01/355208401.db2.gz GZUXZBFDIIRQFY-GDBMZVCRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972108 355208489 /nfs/dbraw/zinc/20/84/89/355208489.db2.gz GZUXZBFDIIRQFY-GOEBONIOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346972112 355208132 /nfs/dbraw/zinc/20/81/32/355208132.db2.gz GZUXZBFDIIRQFY-HOCLYGCPSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346972116 355208469 /nfs/dbraw/zinc/20/84/69/355208469.db2.gz GZUXZBFDIIRQFY-ZBFHGGJFSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346977597 355210625 /nfs/dbraw/zinc/21/06/25/355210625.db2.gz KANAKPOKNHGTRI-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346977599 355211959 /nfs/dbraw/zinc/21/19/59/355211959.db2.gz KANAKPOKNHGTRI-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO c1cncc([C@@H]2CCC[N@H+]2CCC2CCCC2)c1 ZINC000346981193 355183745 /nfs/dbraw/zinc/18/37/45/355183745.db2.gz NDEBLHHTAHVNFZ-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cncc([C@H]2CCC[N@H+]2CCC2CCCC2)c1 ZINC000346981198 355183831 /nfs/dbraw/zinc/18/38/31/355183831.db2.gz NDEBLHHTAHVNFZ-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346987903 355188496 /nfs/dbraw/zinc/18/84/96/355188496.db2.gz FVGFMVFMSODWSM-ABCZVMIZSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346987926 355188499 /nfs/dbraw/zinc/18/84/99/355188499.db2.gz FVGFMVFMSODWSM-BWPKMQGJSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346987929 355188493 /nfs/dbraw/zinc/18/84/93/355188493.db2.gz FVGFMVFMSODWSM-JZIMQPMSSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346987931 355188606 /nfs/dbraw/zinc/18/86/06/355188606.db2.gz FVGFMVFMSODWSM-NHZBNJEXSA-N 1 0 230.355 3.575 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccn1 ZINC000346988612 355188696 /nfs/dbraw/zinc/18/86/96/355188696.db2.gz SDMVGHCRLSYBTM-BYNSBNAKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccccn1 ZINC000346988613 355188551 /nfs/dbraw/zinc/18/85/51/355188551.db2.gz SDMVGHCRLSYBTM-GBJTYRQASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccccn1 ZINC000346988615 355188512 /nfs/dbraw/zinc/18/85/12/355188512.db2.gz SDMVGHCRLSYBTM-LJISPDSOSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccn1 ZINC000346988617 135987195 /nfs/dbraw/zinc/98/71/95/135987195.db2.gz SDMVGHCRLSYBTM-ZQDZILKHSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346997320 355194928 /nfs/dbraw/zinc/19/49/28/355194928.db2.gz YLKOQDVAAKLRTN-AWEZNQCLSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346997321 355195515 /nfs/dbraw/zinc/19/55/15/355195515.db2.gz YLKOQDVAAKLRTN-CQSZACIVSA-N 1 0 232.371 3.655 20 0 BHADRO Fc1cncc(C[N@@H+]2CCCC23CCCCC3)c1 ZINC000346999249 355197079 /nfs/dbraw/zinc/19/70/79/355197079.db2.gz PWWFZPQFZAMQTE-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)cc1)CC1CCC1 ZINC000347076194 386216946 /nfs/dbraw/zinc/21/69/46/386216946.db2.gz MNHURTGRFPQRIN-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[N@@H+]1CCCC2(CCC2)C1 ZINC000347080050 386240224 /nfs/dbraw/zinc/24/02/24/386240224.db2.gz INGSKJVKYKGCEL-HNNXBMFYSA-N 1 0 241.378 3.592 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[N@@H+]1CCCC2(CCC2)C1 ZINC000347080054 386240646 /nfs/dbraw/zinc/24/06/46/386240646.db2.gz INGSKJVKYKGCEL-OAHLLOKOSA-N 1 0 241.378 3.592 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](C[C@@H]1Cc3ccccc31)C2 ZINC000347116661 386235695 /nfs/dbraw/zinc/23/56/95/386235695.db2.gz WSJVWWOBHOKAKL-KRWDZBQOSA-N 1 0 249.357 3.651 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](C[C@H]1Cc3ccccc31)C2 ZINC000347116662 386234284 /nfs/dbraw/zinc/23/42/84/386234284.db2.gz WSJVWWOBHOKAKL-QGZVFWFLSA-N 1 0 249.357 3.651 20 0 BHADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2CCCC2)C1 ZINC000347177867 386268539 /nfs/dbraw/zinc/26/85/39/386268539.db2.gz XMQFLMHJTWFSHD-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2CCCC2)C1 ZINC000347177873 386269942 /nfs/dbraw/zinc/26/99/42/386269942.db2.gz XMQFLMHJTWFSHD-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2CCCC2)C1 ZINC000347177879 386268553 /nfs/dbraw/zinc/26/85/53/386268553.db2.gz XMQFLMHJTWFSHD-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2CCCC2)C1 ZINC000347177886 386269341 /nfs/dbraw/zinc/26/93/41/386269341.db2.gz XMQFLMHJTWFSHD-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000347178190 386270908 /nfs/dbraw/zinc/27/09/08/386270908.db2.gz YIHVYFNHUUMDIA-BMFZPTHFSA-N 1 0 242.366 3.573 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000347178197 386268789 /nfs/dbraw/zinc/26/87/89/386268789.db2.gz YIHVYFNHUUMDIA-FVQBIDKESA-N 1 0 242.366 3.573 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000347178201 386270353 /nfs/dbraw/zinc/27/03/53/386270353.db2.gz YIHVYFNHUUMDIA-KBMXLJTQSA-N 1 0 242.366 3.573 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000347178208 386269651 /nfs/dbraw/zinc/26/96/51/386269651.db2.gz YIHVYFNHUUMDIA-VNQPRFMTSA-N 1 0 242.366 3.573 20 0 BHADRO CC/C=C/CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347189985 386254442 /nfs/dbraw/zinc/25/44/42/386254442.db2.gz GQHPIHZDVABYKD-ATQQARJTSA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C\CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347189997 386256357 /nfs/dbraw/zinc/25/63/57/386256357.db2.gz GQHPIHZDVABYKD-PJFORWJISA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C\CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347190000 386254606 /nfs/dbraw/zinc/25/46/06/386254606.db2.gz GQHPIHZDVABYKD-RCELQXLSSA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C/CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347190002 386256026 /nfs/dbraw/zinc/25/60/26/386256026.db2.gz GQHPIHZDVABYKD-SBAHZNLJSA-N 1 0 244.382 3.821 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347192871 386258765 /nfs/dbraw/zinc/25/87/65/386258765.db2.gz IGCWDFCCBZHMLR-GUTXKFCHSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347192872 386258591 /nfs/dbraw/zinc/25/85/91/386258591.db2.gz IGCWDFCCBZHMLR-GZBFAFLISA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347192876 386258692 /nfs/dbraw/zinc/25/86/92/386258692.db2.gz IGCWDFCCBZHMLR-KCQAQPDRSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347192877 386258528 /nfs/dbraw/zinc/25/85/28/386258528.db2.gz IGCWDFCCBZHMLR-YDHLFZDLSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347212214 386283794 /nfs/dbraw/zinc/28/37/94/386283794.db2.gz VMVONALTLUAVPW-GDBMZVCRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347212216 386284933 /nfs/dbraw/zinc/28/49/33/386284933.db2.gz VMVONALTLUAVPW-GOEBONIOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347212217 386285578 /nfs/dbraw/zinc/28/55/78/386285578.db2.gz 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239.403 3.599 20 0 BHADRO FCCCCCN1Cc2cccc(Cl)c2C1 ZINC000347467234 386416850 /nfs/dbraw/zinc/41/68/50/386416850.db2.gz RGWDEWNTUIJBFJ-UHFFFAOYSA-N 1 0 241.737 3.795 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CC(C)C ZINC000347507914 386427268 /nfs/dbraw/zinc/42/72/68/386427268.db2.gz UJBIULSUNJMMOM-DZGCQCFKSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)CC(C)C ZINC000347507917 133837470 /nfs/dbraw/zinc/83/74/70/133837470.db2.gz UJBIULSUNJMMOM-HIFRSBDPSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CC(C)C ZINC000347507919 386426744 /nfs/dbraw/zinc/42/67/44/386426744.db2.gz UJBIULSUNJMMOM-UKRRQHHQSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)CC(C)C ZINC000347507921 386426827 /nfs/dbraw/zinc/42/68/27/386426827.db2.gz UJBIULSUNJMMOM-ZFWWWQNUSA-N 1 0 247.382 3.843 20 0 BHADRO CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347535249 386443943 /nfs/dbraw/zinc/44/39/43/386443943.db2.gz HFFJWBARMUOPSK-UHFFFAOYSA-N 1 0 246.329 3.506 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246.398 3.655 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc2occc2c1 ZINC000347590036 355248511 /nfs/dbraw/zinc/24/85/11/355248511.db2.gz AGZJSYZPOPSJMY-LLVKDONJSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc2occc2c1 ZINC000347590040 355248156 /nfs/dbraw/zinc/24/81/56/355248156.db2.gz AGZJSYZPOPSJMY-NSHDSACASA-N 1 0 229.323 3.663 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc2occc2c1 ZINC000347593052 355250154 /nfs/dbraw/zinc/25/01/54/355250154.db2.gz QXBVXJHNZDROQU-LLVKDONJSA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc2occc2c1 ZINC000347593053 355250305 /nfs/dbraw/zinc/25/03/05/355250305.db2.gz QXBVXJHNZDROQU-NSHDSACASA-N 1 0 217.312 3.663 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc2occc2c1 ZINC000347593061 355250091 /nfs/dbraw/zinc/25/00/91/355250091.db2.gz QYLHWWZUJPBVPQ-GFCCVEGCSA-N 1 0 231.339 3.909 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc2occc2c1 ZINC000347593062 355249786 /nfs/dbraw/zinc/24/97/86/355249786.db2.gz QYLHWWZUJPBVPQ-LBPRGKRZSA-N 1 0 231.339 3.909 20 0 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246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCC(C)CC2)cn1 ZINC000347601939 355252766 /nfs/dbraw/zinc/25/27/66/355252766.db2.gz BLBWRNOCZXBYJZ-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO CCC[N@H+](Cc1ccc2occc2c1)C1CC1 ZINC000347605724 355233241 /nfs/dbraw/zinc/23/32/41/355233241.db2.gz GANIZTPGKIPXQX-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO CCc1ccc(C[N@H+](C)CC2CCCCC2)cn1 ZINC000347613848 355235574 /nfs/dbraw/zinc/23/55/74/355235574.db2.gz PDMKHCBNZUKJCW-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO C[N@H+](CCCCCF)C1CCC(F)(F)CC1 ZINC000347615888 135991553 /nfs/dbraw/zinc/99/15/53/135991553.db2.gz LBVMPQGWHXRLRY-UHFFFAOYSA-N 1 0 237.309 3.636 20 0 BHADRO CCC[N@@H+](Cc1ccc(CC)nc1)CC(C)C ZINC000347617400 355236595 /nfs/dbraw/zinc/23/65/95/355236595.db2.gz SUCVBEBRTDLUAR-UHFFFAOYSA-N 1 0 234.387 3.512 20 0 BHADRO CCc1ccc(C[N@H+](CC(C)C)C(C)C)cn1 ZINC000347620013 355237202 /nfs/dbraw/zinc/23/72/02/355237202.db2.gz XKJVTWRTFAUYAD-UHFFFAOYSA-N 1 0 234.387 3.510 20 0 BHADRO 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CSC1(C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000347652637 136001689 /nfs/dbraw/zinc/00/16/89/136001689.db2.gz NHGQZBCETRZHNN-CQSZACIVSA-N 1 0 247.407 3.719 20 0 BHADRO CCCC[N@H+](C)Cc1ccc2occc2c1 ZINC000347655932 136002114 /nfs/dbraw/zinc/00/21/14/136002114.db2.gz RZDPWIBNGAPMGH-UHFFFAOYSA-N 1 0 217.312 3.665 20 0 BHADRO CCC[N@H+](CC)Cc1ccc2occc2c1 ZINC000347656620 136001953 /nfs/dbraw/zinc/00/19/53/136001953.db2.gz SUKVYCSZGTXOHD-UHFFFAOYSA-N 1 0 217.312 3.665 20 0 BHADRO CCc1ccc(C[N@H+](CCC(C)C)C2CC2)cn1 ZINC000347656955 538622369 /nfs/dbraw/zinc/62/23/69/538622369.db2.gz UHMKXRGMKJTMNN-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1ccc2occc2c1 ZINC000347659667 136002694 /nfs/dbraw/zinc/00/26/94/136002694.db2.gz ZEMDKTNYIOUPMS-UHFFFAOYSA-N 1 0 241.290 3.658 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000347660736 136002428 /nfs/dbraw/zinc/00/24/28/136002428.db2.gz YBCLHOVRTFCAAY-DZKIICNBSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000347660738 136002611 /nfs/dbraw/zinc/00/26/11/136002611.db2.gz YBCLHOVRTFCAAY-LZWOXQAQSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](CCOC)c1ccccc1 ZINC000347660740 535942550 /nfs/dbraw/zinc/94/25/50/535942550.db2.gz YBCLHOVRTFCAAY-OFQRWUPVSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](CCOC)c1ccccc1 ZINC000347660742 136002336 /nfs/dbraw/zinc/00/23/36/136002336.db2.gz YBCLHOVRTFCAAY-SQWLQELKSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc2occc2c1 ZINC000347666908 355257558 /nfs/dbraw/zinc/25/75/58/355257558.db2.gz GBEJRVSIIQXSIH-UHFFFAOYSA-N 1 0 217.312 3.521 20 0 BHADRO Cc1ccccc1SCCC[NH+]1CCCC1 ZINC000347667492 355257497 /nfs/dbraw/zinc/25/74/97/355257497.db2.gz GFRMGCXORNFSIG-UHFFFAOYSA-N 1 0 235.396 3.573 20 0 BHADRO CCc1ccc(C[NH+](CC(C)C)CC(C)C)cn1 ZINC000347667866 355257487 /nfs/dbraw/zinc/25/74/87/355257487.db2.gz DPIYPRUSLNYRFJ-UHFFFAOYSA-N 1 0 248.414 3.758 20 0 BHADRO C[N@@H+](Cc1ccc2occc2c1)CC1CCC1 ZINC000347669256 355259051 /nfs/dbraw/zinc/25/90/51/355259051.db2.gz FYTSZGBROSAOGW-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CC[N@H+](Cc1ccc2occc2c1)C(C)C ZINC000347670389 355259374 /nfs/dbraw/zinc/25/93/74/355259374.db2.gz KLFXTDNFAMGVGI-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347670596 355259863 /nfs/dbraw/zinc/25/98/63/355259863.db2.gz KYNSAPJXZCGGQW-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2occc2c1 ZINC000347681371 176073411 /nfs/dbraw/zinc/07/34/11/176073411.db2.gz WLSLFQVJPWREQA-GFCCVEGCSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc2occc2c1 ZINC000347681374 177077857 /nfs/dbraw/zinc/07/78/57/177077857.db2.gz WLSLFQVJPWREQA-LBPRGKRZSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347683330 355267614 /nfs/dbraw/zinc/26/76/14/355267614.db2.gz ZOVVVLVMNJNZEU-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347683331 355267480 /nfs/dbraw/zinc/26/74/80/355267480.db2.gz ZOVVVLVMNJNZEU-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO c1cc2cc(C[NH+]3CCCCCC3)ccc2o1 ZINC000347683360 355263207 /nfs/dbraw/zinc/26/32/07/355263207.db2.gz NMJPGZREOHZOBD-UHFFFAOYSA-N 1 0 229.323 3.809 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccccc1 ZINC000347710543 535807691 /nfs/dbraw/zinc/80/76/91/535807691.db2.gz XDBUZSMCCIOVHR-CABCVRRESA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccccc1 ZINC000347710747 136002539 /nfs/dbraw/zinc/00/25/39/136002539.db2.gz XDBUZSMCCIOVHR-GJZGRUSLSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1ccccc1 ZINC000347710749 136002598 /nfs/dbraw/zinc/00/25/98/136002598.db2.gz XDBUZSMCCIOVHR-HUUCEWRRSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1ccccc1 ZINC000347710750 136002504 /nfs/dbraw/zinc/00/25/04/136002504.db2.gz XDBUZSMCCIOVHR-LSDHHAIUSA-N 1 0 249.398 3.523 20 0 BHADRO 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ZINC000347848168 136012465 /nfs/dbraw/zinc/01/24/65/136012465.db2.gz AHYPTYZPGQOPQE-MRXNPFEDSA-N 1 0 246.398 3.799 20 0 BHADRO CCc1ccc(C[N@@H+](CC)[C@H](C)C(C)C)cn1 ZINC000347850547 536172196 /nfs/dbraw/zinc/17/21/96/536172196.db2.gz NVLIPSSCEIKDJA-CYBMUJFWSA-N 1 0 234.387 3.510 20 0 BHADRO CCc1ccc(C[N@@H+](CC)[C@@H](C)C(C)C)cn1 ZINC000347850548 536172420 /nfs/dbraw/zinc/17/24/20/536172420.db2.gz NVLIPSSCEIKDJA-ZDUSSCGKSA-N 1 0 234.387 3.510 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@H](C4CC4)C3)ccc2o1 ZINC000347850883 136012238 /nfs/dbraw/zinc/01/22/38/136012238.db2.gz GFAYSXIYHNXVEZ-HNNXBMFYSA-N 1 0 241.334 3.665 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@@H](C4CC4)C3)ccc2o1 ZINC000347850885 136012217 /nfs/dbraw/zinc/01/22/17/136012217.db2.gz GFAYSXIYHNXVEZ-OAHLLOKOSA-N 1 0 241.334 3.665 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C[C@H](C)CC)cn1 ZINC000347852681 536173223 /nfs/dbraw/zinc/17/32/23/536173223.db2.gz JFEFHKOUGPECAN-CYBMUJFWSA-N 1 0 234.387 3.512 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C[C@@H](C)CC)cn1 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ZINC000347860959 136293290 /nfs/dbraw/zinc/29/32/90/136293290.db2.gz SWHPZFQSYZDQRH-AWEZNQCLSA-N 1 0 246.398 3.656 20 0 BHADRO CCc1ccc(C[N@H+]2CCC[C@@H](CC)CC2)cn1 ZINC000347860960 136293088 /nfs/dbraw/zinc/29/30/88/136293088.db2.gz SWHPZFQSYZDQRH-CQSZACIVSA-N 1 0 246.398 3.656 20 0 BHADRO CC1=CC[N@H+](Cc2ccc3occc3c2)CC1 ZINC000347861874 136293249 /nfs/dbraw/zinc/29/32/49/136293249.db2.gz VKXKBZGARPZGQV-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO CSC1(C[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000347862569 136293133 /nfs/dbraw/zinc/29/31/33/136293133.db2.gz LQUBSDHOPZBOTP-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@](C)(CC)C2)cn1 ZINC000347862659 136293518 /nfs/dbraw/zinc/29/35/18/136293518.db2.gz MAFCNLWBEISMPS-INIZCTEOSA-N 1 0 246.398 3.656 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@](C)(CC)C2)cn1 ZINC000347862661 136293085 /nfs/dbraw/zinc/29/30/85/136293085.db2.gz MAFCNLWBEISMPS-MRXNPFEDSA-N 1 0 246.398 3.656 20 0 BHADRO CC[N@H+](Cc1ccc2occc2c1)C1CCC1 ZINC000347862827 136293079 /nfs/dbraw/zinc/29/30/79/136293079.db2.gz WLKZFHAPJRIUKI-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO Cc1ccc(C[NH2+]CCCC2CCCCC2)cn1 ZINC000347865826 135482393 /nfs/dbraw/zinc/48/23/93/135482393.db2.gz BJFBEIPWNBUMSQ-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO c1cc2cc(C[N@@H+]3CCC4(CCC4)C3)ccc2o1 ZINC000347869014 136016617 /nfs/dbraw/zinc/01/66/17/136016617.db2.gz QXHTZDZBDXUYLE-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000347875623 136016991 /nfs/dbraw/zinc/01/69/91/136016991.db2.gz WPUMJTAGELOCSZ-CHWSQXEVSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000347875625 136017135 /nfs/dbraw/zinc/01/71/35/136017135.db2.gz WPUMJTAGELOCSZ-OLZOCXBDSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000347875626 136016999 /nfs/dbraw/zinc/01/69/99/136016999.db2.gz WPUMJTAGELOCSZ-QWHCGFSZSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000347875627 136016871 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136018183 /nfs/dbraw/zinc/01/81/83/136018183.db2.gz GEFVVCFMSBSQEC-VXGBXAGGSA-N 1 0 229.323 3.806 20 0 BHADRO c1cncc(CC[NH2+]CCCC2CCCCC2)c1 ZINC000347914447 388524625 /nfs/dbraw/zinc/52/46/25/388524625.db2.gz CCGPLSFLZVJUSA-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)[C@H]1C ZINC000347914654 136018035 /nfs/dbraw/zinc/01/80/35/136018035.db2.gz HPWOXUATWDDFSP-NEPJUHHUSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc2occc2c1 ZINC000347914655 136018443 /nfs/dbraw/zinc/01/84/43/136018443.db2.gz HPWOXUATWDDFSP-NWDGAFQWSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc3occc3c2)[C@H]1C ZINC000347914656 136018441 /nfs/dbraw/zinc/01/84/41/136018441.db2.gz HPWOXUATWDDFSP-RYUDHWBXSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)[C@@H]1C ZINC000347914657 136018387 /nfs/dbraw/zinc/01/83/87/136018387.db2.gz HPWOXUATWDDFSP-VXGBXAGGSA-N 1 0 229.323 3.663 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)cn1 ZINC000347915784 136018413 /nfs/dbraw/zinc/01/84/13/136018413.db2.gz INAWZBJRWURGSZ-KBPBESRZSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)cn1 ZINC000347915788 536178899 /nfs/dbraw/zinc/17/88/99/536178899.db2.gz INAWZBJRWURGSZ-KGLIPLIRSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)cn1 ZINC000347915791 136018052 /nfs/dbraw/zinc/01/80/52/136018052.db2.gz INAWZBJRWURGSZ-UONOGXRCSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)cn1 ZINC000347915795 136018337 /nfs/dbraw/zinc/01/83/37/136018337.db2.gz INAWZBJRWURGSZ-ZIAGYGMSSA-N 1 0 246.398 3.512 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc(C)c1O ZINC000347921472 136018670 /nfs/dbraw/zinc/01/86/70/136018670.db2.gz QIZDAECIJJMHHN-CYBMUJFWSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc(C)c1O ZINC000347921480 136018713 /nfs/dbraw/zinc/01/87/13/136018713.db2.gz QIZDAECIJJMHHN-ZDUSSCGKSA-N 1 0 247.382 3.629 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000347925841 537797529 /nfs/dbraw/zinc/79/75/29/537797529.db2.gz SFPOCPNLGUPDAA-INIZCTEOSA-N 1 0 246.398 3.959 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000347925842 537797472 /nfs/dbraw/zinc/79/74/72/537797472.db2.gz SFPOCPNLGUPDAA-MRXNPFEDSA-N 1 0 246.398 3.959 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347935174 136019067 /nfs/dbraw/zinc/01/90/67/136019067.db2.gz ZQCJYLDLPYLGHT-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347935177 136019034 /nfs/dbraw/zinc/01/90/34/136019034.db2.gz ZQCJYLDLPYLGHT-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO c1ccc(CC[NH2+]CCCC2CCCCC2)nc1 ZINC000347950654 388525625 /nfs/dbraw/zinc/52/56/25/388525625.db2.gz IVAXGJQQMGQNOB-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc2occc2c1 ZINC000347962952 136017900 /nfs/dbraw/zinc/01/79/00/136017900.db2.gz QINBUOGUZPHMQD-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc2occc2c1 ZINC000347962957 535202260 /nfs/dbraw/zinc/20/22/60/535202260.db2.gz QINBUOGUZPHMQD-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000347964867 535023511 /nfs/dbraw/zinc/02/35/11/535023511.db2.gz LNCKXOVZPKBZSH-UHFFFAOYSA-N 1 0 227.298 3.712 20 0 BHADRO FC(F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000347964905 136017870 /nfs/dbraw/zinc/01/78/70/136017870.db2.gz DAUKQAWWARRHMF-UHFFFAOYSA-N 1 0 225.282 3.610 20 0 BHADRO CC[N@H+](Cc1cccc(C(F)F)c1)C(C)C ZINC000347967548 136017497 /nfs/dbraw/zinc/01/74/97/136017497.db2.gz PBOLOTHDDMTOMV-UHFFFAOYSA-N 1 0 227.298 3.855 20 0 BHADRO CC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000347970161 136017985 /nfs/dbraw/zinc/01/79/85/136017985.db2.gz MCVWMIYZEUPGDB-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000347973414 136022481 /nfs/dbraw/zinc/02/24/81/136022481.db2.gz QZRLEWBZACMAMZ-LLVKDONJSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000347973415 136022676 /nfs/dbraw/zinc/02/26/76/136022676.db2.gz QZRLEWBZACMAMZ-NSHDSACASA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000347973481 136022921 /nfs/dbraw/zinc/02/29/21/136022921.db2.gz RKXDIGLVZANPBP-LLVKDONJSA-N 1 0 239.309 3.999 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000347973485 136022896 /nfs/dbraw/zinc/02/28/96/136022896.db2.gz RKXDIGLVZANPBP-NSHDSACASA-N 1 0 239.309 3.999 20 0 BHADRO CC(C)[N@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000347976020 535094679 /nfs/dbraw/zinc/09/46/79/535094679.db2.gz XSAKETXYPZZWQE-UHFFFAOYSA-N 1 0 239.309 3.997 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000348023265 136022648 /nfs/dbraw/zinc/02/26/48/136022648.db2.gz AITYWXISOGSZHF-JTQLQIEISA-N 1 0 227.298 3.855 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000348023267 136022560 /nfs/dbraw/zinc/02/25/60/136022560.db2.gz AITYWXISOGSZHF-SNVBAGLBSA-N 1 0 227.298 3.855 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000348027711 136026801 /nfs/dbraw/zinc/02/68/01/136026801.db2.gz GALGMIVKVYVTOC-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO CC1=CC[N@H+](Cc2cccc(C(F)F)c2)CC1 ZINC000348044560 136029388 /nfs/dbraw/zinc/02/93/88/136029388.db2.gz ZZRVKOXALBUBMC-UHFFFAOYSA-N 1 0 237.293 3.776 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)[C@@H]1C ZINC000348044992 136029753 /nfs/dbraw/zinc/02/97/53/136029753.db2.gz CGAQQGBGQAYPSK-GHMZBOCLSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348045000 136029662 /nfs/dbraw/zinc/02/96/62/136029662.db2.gz CGAQQGBGQAYPSK-MNOVXSKESA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348045008 136029581 /nfs/dbraw/zinc/02/95/81/136029581.db2.gz CGAQQGBGQAYPSK-QWRGUYRKSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000348045012 136029764 /nfs/dbraw/zinc/02/97/64/136029764.db2.gz CGAQQGBGQAYPSK-WDEREUQCSA-N 1 0 239.309 3.855 20 0 BHADRO CC[N@H+](Cc1cccc(C(F)F)c1)C1CCC1 ZINC000348047994 136030152 /nfs/dbraw/zinc/03/01/52/136030152.db2.gz MLFWJFBEFOCVHT-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C(F)F)c1 ZINC000348049053 136030524 /nfs/dbraw/zinc/03/05/24/136030524.db2.gz IKFYQLOGOJYPRQ-PHIMTYICSA-N 1 0 239.309 3.997 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCOc2ccccc21 ZINC000348053091 136031474 /nfs/dbraw/zinc/03/14/74/136031474.db2.gz HPQYYDVIIXCWIA-BPLDGKMQSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCOc2ccccc21 ZINC000348053099 136031343 /nfs/dbraw/zinc/03/13/43/136031343.db2.gz HPQYYDVIIXCWIA-SNPRPXQTSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCOc2ccccc21 ZINC000348053102 535823787 /nfs/dbraw/zinc/82/37/87/535823787.db2.gz HPQYYDVIIXCWIA-VHDGCEQUSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCOc2ccccc21 ZINC000348053105 535824973 /nfs/dbraw/zinc/82/49/73/535824973.db2.gz HPQYYDVIIXCWIA-YUELXQCFSA-N 1 0 245.366 3.679 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000348053126 136031689 /nfs/dbraw/zinc/03/16/89/136031689.db2.gz ZWZCCCXZVIAHCF-DOMZBBRYSA-N 1 0 244.382 3.569 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348053129 136031612 /nfs/dbraw/zinc/03/16/12/136031612.db2.gz ZWZCCCXZVIAHCF-IUODEOHRSA-N 1 0 244.382 3.569 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348053131 136031487 /nfs/dbraw/zinc/03/14/87/136031487.db2.gz ZWZCCCXZVIAHCF-SWLSCSKDSA-N 1 0 244.382 3.569 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000348053134 136031647 /nfs/dbraw/zinc/03/16/47/136031647.db2.gz ZWZCCCXZVIAHCF-WFASDCNBSA-N 1 0 244.382 3.569 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cccc(C(F)F)c1 ZINC000348054308 136031407 /nfs/dbraw/zinc/03/14/07/136031407.db2.gz XNHQYZLHQOVDEZ-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)c(C)o1 ZINC000348056266 136031748 /nfs/dbraw/zinc/03/17/48/136031748.db2.gz LRMMQQURZYEHOY-PSOPSSQASA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)c(C)o1 ZINC000348056268 136031948 /nfs/dbraw/zinc/03/19/48/136031948.db2.gz LRMMQQURZYEHOY-VZJVUDMVSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)c(C)o1 ZINC000348056270 136032000 /nfs/dbraw/zinc/03/20/00/136032000.db2.gz LRMMQQURZYEHOY-XEGUGMAKSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)c(C)o1 ZINC000348056271 136032108 /nfs/dbraw/zinc/03/21/08/136032108.db2.gz LRMMQQURZYEHOY-ZBINZKHDSA-N 1 0 233.355 3.736 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000348060582 136024187 /nfs/dbraw/zinc/02/41/87/136024187.db2.gz UEHNGGIIEUXWOJ-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000348060583 136024343 /nfs/dbraw/zinc/02/43/43/136024343.db2.gz UEHNGGIIEUXWOJ-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000348060584 536099544 /nfs/dbraw/zinc/09/95/44/536099544.db2.gz UEHNGGIIEUXWOJ-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000348060585 136024111 /nfs/dbraw/zinc/02/41/11/136024111.db2.gz UEHNGGIIEUXWOJ-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000348060827 136024193 /nfs/dbraw/zinc/02/41/93/136024193.db2.gz VGPOMOZHWYWVCS-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000348060828 136024114 /nfs/dbraw/zinc/02/41/14/136024114.db2.gz VGPOMOZHWYWVCS-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000348060864 536101335 /nfs/dbraw/zinc/10/13/35/536101335.db2.gz VGPOMOZHWYWVCS-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000348060870 136024477 /nfs/dbraw/zinc/02/44/77/136024477.db2.gz VGPOMOZHWYWVCS-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO C[N@@H+](Cc1cccc(C(F)F)c1)CC1CCC1 ZINC000348060929 136024167 /nfs/dbraw/zinc/02/41/67/136024167.db2.gz SHZZEHIFKJEWJW-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)c(C)o1 ZINC000348069403 136026362 /nfs/dbraw/zinc/02/63/62/136026362.db2.gz CEGPBYWWUMPWOI-APPZFPTMSA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)c(C)o1 ZINC000348069406 136026380 /nfs/dbraw/zinc/02/63/80/136026380.db2.gz CEGPBYWWUMPWOI-CBAPKCEASA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)c(C)o1 ZINC000348069408 136026458 /nfs/dbraw/zinc/02/64/58/136026458.db2.gz CEGPBYWWUMPWOI-IONNQARKSA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)c(C)o1 ZINC000348069410 136026425 /nfs/dbraw/zinc/02/64/25/136026425.db2.gz CEGPBYWWUMPWOI-VXNVDRBHSA-N 1 0 249.276 3.745 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000348070001 136026574 /nfs/dbraw/zinc/02/65/74/136026574.db2.gz HYWRSZWMHWKYIY-BMFZPTHFSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000348070294 136026460 /nfs/dbraw/zinc/02/64/60/136026460.db2.gz HYWRSZWMHWKYIY-FVQBIDKESA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000348070297 136026384 /nfs/dbraw/zinc/02/63/84/136026384.db2.gz HYWRSZWMHWKYIY-KBMXLJTQSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000348070304 136026325 /nfs/dbraw/zinc/02/63/25/136026325.db2.gz HYWRSZWMHWKYIY-VNQPRFMTSA-N 1 0 246.398 3.599 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CC[C@@H]1CC ZINC000348072195 136033564 /nfs/dbraw/zinc/03/35/64/136033564.db2.gz ACSYUHPBUBADMV-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@H]1CC[C@H]1CC ZINC000348072196 136033640 /nfs/dbraw/zinc/03/36/40/136033640.db2.gz ACSYUHPBUBADMV-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@H]1CC ZINC000348072197 136033594 /nfs/dbraw/zinc/03/35/94/136033594.db2.gz ACSYUHPBUBADMV-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H]1CC ZINC000348072198 136033533 /nfs/dbraw/zinc/03/35/33/136033533.db2.gz ACSYUHPBUBADMV-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000348073777 136033965 /nfs/dbraw/zinc/03/39/65/136033965.db2.gz ZUBFORPOPOHABX-BBRMVZONSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000348073780 535823713 /nfs/dbraw/zinc/82/37/13/535823713.db2.gz ZUBFORPOPOHABX-CJNGLKHVSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000348073781 136034130 /nfs/dbraw/zinc/03/41/30/136034130.db2.gz ZUBFORPOPOHABX-CZUORRHYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000348073783 536101247 /nfs/dbraw/zinc/10/12/47/536101247.db2.gz ZUBFORPOPOHABX-XJKSGUPXSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000348075958 535823659 /nfs/dbraw/zinc/82/36/59/535823659.db2.gz FQTLYCPRSJIOTA-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000348075960 136034120 /nfs/dbraw/zinc/03/41/20/136034120.db2.gz FQTLYCPRSJIOTA-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000348075961 536101042 /nfs/dbraw/zinc/10/10/42/536101042.db2.gz FQTLYCPRSJIOTA-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000348075962 136033849 /nfs/dbraw/zinc/03/38/49/136033849.db2.gz FQTLYCPRSJIOTA-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000348081955 136034342 /nfs/dbraw/zinc/03/43/42/136034342.db2.gz ILDZFWXLZUFKOF-CVEARBPZSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000348081956 136034609 /nfs/dbraw/zinc/03/46/09/136034609.db2.gz ILDZFWXLZUFKOF-HOTGVXAUSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000348081958 136034507 /nfs/dbraw/zinc/03/45/07/136034507.db2.gz ILDZFWXLZUFKOF-HZPDHXFCSA-N 1 0 247.382 3.501 20 0 BHADRO CCOCc1ccc(C[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000348081959 136034655 /nfs/dbraw/zinc/03/46/55/136034655.db2.gz ILDZFWXLZUFKOF-JKSUJKDBSA-N 1 0 247.382 3.501 20 0 BHADRO CN(Cc1ccoc1)Cc1ccccc1Cl ZINC000348084803 136034877 /nfs/dbraw/zinc/03/48/77/136034877.db2.gz SJIJFQXGXYCYDY-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccc(OC)cc1 ZINC000348090559 535948415 /nfs/dbraw/zinc/94/84/15/535948415.db2.gz WDAVIZZSBRBGJF-KCXAZCMYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccc(OC)cc1 ZINC000348090560 136035190 /nfs/dbraw/zinc/03/51/90/136035190.db2.gz WDAVIZZSBRBGJF-RCBQFDQVSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccc(OC)cc1 ZINC000348090561 535940462 /nfs/dbraw/zinc/94/04/62/535940462.db2.gz WDAVIZZSBRBGJF-UHOFOFEASA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccc(OC)cc1 ZINC000348090562 535940657 /nfs/dbraw/zinc/94/06/57/535940657.db2.gz WDAVIZZSBRBGJF-VBNZEHGJSA-N 1 0 247.382 3.925 20 0 BHADRO c1cc(CC[NH2+]CCCC2CCCCC2)ccn1 ZINC000348099213 388525962 /nfs/dbraw/zinc/52/59/62/388525962.db2.gz WJPVLXAYDOYVHP-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000348102160 136036719 /nfs/dbraw/zinc/03/67/19/136036719.db2.gz MGBLUKBIDZXRMJ-DAXOMENPSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000348102161 136036841 /nfs/dbraw/zinc/03/68/41/136036841.db2.gz MGBLUKBIDZXRMJ-KCXAZCMYSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000348102162 535823862 /nfs/dbraw/zinc/82/38/62/535823862.db2.gz MGBLUKBIDZXRMJ-UHOFOFEASA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000348102163 535824922 /nfs/dbraw/zinc/82/49/22/535824922.db2.gz MGBLUKBIDZXRMJ-WQVCFCJDSA-N 1 0 229.367 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348108105 386468313 /nfs/dbraw/zinc/46/83/13/386468313.db2.gz XEQANCWWHVDLMQ-IKGGRYGDSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348108106 386467981 /nfs/dbraw/zinc/46/79/81/386467981.db2.gz XEQANCWWHVDLMQ-IXDOHACOSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348108107 386468479 /nfs/dbraw/zinc/46/84/79/386468479.db2.gz XEQANCWWHVDLMQ-ULQDDVLXSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348108108 183442209 /nfs/dbraw/zinc/44/22/09/183442209.db2.gz XEQANCWWHVDLMQ-YESZJQIVSA-N 1 0 241.378 3.842 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000348154510 178255405 /nfs/dbraw/zinc/25/54/05/178255405.db2.gz WIKXMOPYMLGWHL-BKDNQFJXSA-N 1 0 245.338 3.669 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000348154511 178259745 /nfs/dbraw/zinc/25/97/45/178259745.db2.gz WIKXMOPYMLGWHL-SWPVVBRQSA-N 1 0 245.338 3.669 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)F)c(C)s1 ZINC000348154512 178255637 /nfs/dbraw/zinc/25/56/37/178255637.db2.gz WIKXMOPYMLGWHL-WHGOUJPWSA-N 1 0 245.338 3.669 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]2C(F)F)c(C)s1 ZINC000348154513 178259199 /nfs/dbraw/zinc/25/91/99/178259199.db2.gz WIKXMOPYMLGWHL-XROYCOCOSA-N 1 0 245.338 3.669 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(C)sc1C ZINC000348166997 136042056 /nfs/dbraw/zinc/04/20/56/136042056.db2.gz MBILIUAHBZHSTE-JTQLQIEISA-N 1 0 225.401 3.843 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)sc1C ZINC000348167000 535493202 /nfs/dbraw/zinc/49/32/02/535493202.db2.gz MBILIUAHBZHSTE-SNVBAGLBSA-N 1 0 225.401 3.843 20 0 BHADRO Fc1cccc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348168559 136042138 /nfs/dbraw/zinc/04/21/38/136042138.db2.gz MUZVPRZNPUWORA-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO C[N@@H+](Cc1cccc(Cl)c1)CC1CCC1 ZINC000348169368 136042121 /nfs/dbraw/zinc/04/21/21/136042121.db2.gz VHQWQWWUPJHCQG-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348171768 383930242 /nfs/dbraw/zinc/93/02/42/383930242.db2.gz VUXKOWZWVCCCFX-DCAQKATOSA-N 1 0 245.338 3.833 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348171770 136042480 /nfs/dbraw/zinc/04/24/80/136042480.db2.gz VUXKOWZWVCCCFX-GARJFASQSA-N 1 0 245.338 3.833 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348171771 136042980 /nfs/dbraw/zinc/04/29/80/136042980.db2.gz VUXKOWZWVCCCFX-OUAUKWLOSA-N 1 0 245.338 3.833 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348171772 136042662 /nfs/dbraw/zinc/04/26/62/136042662.db2.gz VUXKOWZWVCCCFX-VWYCJHECSA-N 1 0 245.338 3.833 20 0 BHADRO c1csc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348172562 136042957 /nfs/dbraw/zinc/04/29/57/136042957.db2.gz YRKSLSHTQYUDBI-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348172570 136042910 /nfs/dbraw/zinc/04/29/10/136042910.db2.gz YUIMAMMUJQJKKO-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348174192 136042961 /nfs/dbraw/zinc/04/29/61/136042961.db2.gz BGLHFNQSYGFKEK-ARJAWSKDSA-N 1 0 207.361 3.609 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348174200 136042908 /nfs/dbraw/zinc/04/29/08/136042908.db2.gz BGLHFNQSYGFKEK-ONEGZZNKSA-N 1 0 207.361 3.609 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348175809 136042677 /nfs/dbraw/zinc/04/26/77/136042677.db2.gz FWTXQNLUXUWEPU-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO c1cc2cc(C[N@@H+]3CCCC4(CC4)C3)ccc2o1 ZINC000348176920 136042798 /nfs/dbraw/zinc/04/27/98/136042798.db2.gz WRENFCXBEMCPMT-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348177740 136043158 /nfs/dbraw/zinc/04/31/58/136043158.db2.gz HGTQGQJVKHDDLH-UHFFFAOYSA-N 1 0 229.367 3.761 20 0 BHADRO Fc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348177758 136043097 /nfs/dbraw/zinc/04/30/97/136043097.db2.gz HKYPHAZOJDSLNN-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO Cc1cc(C[N@H+](C)CC2CCC2)c(C)s1 ZINC000348178381 136043377 /nfs/dbraw/zinc/04/33/77/136043377.db2.gz CACWHYXCJUASJF-UHFFFAOYSA-N 1 0 223.385 3.597 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCCC2(CCC2)C1 ZINC000348180047 136043459 /nfs/dbraw/zinc/04/34/59/136043459.db2.gz JTTDGXSVSXUHFG-UHFFFAOYSA-N 1 0 249.320 3.985 20 0 BHADRO C[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CC1(C)C ZINC000348183274 136043993 /nfs/dbraw/zinc/04/39/93/136043993.db2.gz UPRFJSIIYDGLLL-GFCCVEGCSA-N 1 0 239.309 3.855 20 0 BHADRO C[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CC1(C)C ZINC000348183275 488094905 /nfs/dbraw/zinc/09/49/05/488094905.db2.gz UPRFJSIIYDGLLL-LBPRGKRZSA-N 1 0 239.309 3.855 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)ccc2o1 ZINC000348184770 136044079 /nfs/dbraw/zinc/04/40/79/136044079.db2.gz IKGHAQUILXXPHF-DZGCQCFKSA-N 1 0 241.334 3.807 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)ccc2o1 ZINC000348184771 136043708 /nfs/dbraw/zinc/04/37/08/136043708.db2.gz IKGHAQUILXXPHF-HIFRSBDPSA-N 1 0 241.334 3.807 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@H]4CCC[C@H]43)ccc2o1 ZINC000348184772 136044003 /nfs/dbraw/zinc/04/40/03/136044003.db2.gz IKGHAQUILXXPHF-UKRRQHHQSA-N 1 0 241.334 3.807 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)ccc2o1 ZINC000348184773 136044198 /nfs/dbraw/zinc/04/41/98/136044198.db2.gz IKGHAQUILXXPHF-ZFWWWQNUSA-N 1 0 241.334 3.807 20 0 BHADRO c1cc(CCC[N@@H+]2CCCC3(CCC3)C2)cs1 ZINC000348192601 136049695 /nfs/dbraw/zinc/04/96/95/136049695.db2.gz IERYDQFZMREEQN-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CSc1ccc(C[N@H+](C)CC2CCC2)cc1 ZINC000348206885 136054141 /nfs/dbraw/zinc/05/41/41/136054141.db2.gz MPAFSEJZPRUYHX-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cn1 ZINC000348217221 136046601 /nfs/dbraw/zinc/04/66/01/136046601.db2.gz FTZYJVKSCLRIRU-AWEZNQCLSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cn1 ZINC000348217223 136046888 /nfs/dbraw/zinc/04/68/88/136046888.db2.gz FTZYJVKSCLRIRU-CQSZACIVSA-N 1 0 246.398 3.512 20 0 BHADRO CSC1(C[N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC000348219560 136047088 /nfs/dbraw/zinc/04/70/88/136047088.db2.gz ZZCRRZPFVQYCFH-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO COC1(C[NH2+]CCCC2CCCCC2)CCC1 ZINC000348219854 388526438 /nfs/dbraw/zinc/52/64/38/388526438.db2.gz MSRUOHRCEPBVAB-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ccncc1CCC[NH2+]CC(C)(C)C(C)C ZINC000348222254 136047684 /nfs/dbraw/zinc/04/76/84/136047684.db2.gz GEQROGCSHLMQBZ-UHFFFAOYSA-N 1 0 248.414 3.594 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000348231787 136060614 /nfs/dbraw/zinc/06/06/14/136060614.db2.gz XALDPJCNDPDYQW-DVOMOZLQSA-N 1 0 244.382 3.712 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000348231789 136060647 /nfs/dbraw/zinc/06/06/47/136060647.db2.gz XALDPJCNDPDYQW-IOASZLSFSA-N 1 0 244.382 3.712 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000348231791 136060937 /nfs/dbraw/zinc/06/09/37/136060937.db2.gz XALDPJCNDPDYQW-WWGRRREGSA-N 1 0 244.382 3.712 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000348231793 136060595 /nfs/dbraw/zinc/06/05/95/136060595.db2.gz XALDPJCNDPDYQW-XJKCOSOUSA-N 1 0 244.382 3.712 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCCC(C)(C)C2)cn1 ZINC000348231856 136060883 /nfs/dbraw/zinc/06/08/83/136060883.db2.gz XJDMBTJQBZPSRA-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO CCC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348235408 136061248 /nfs/dbraw/zinc/06/12/48/136061248.db2.gz ATMYNVJSMZYPHK-CABCVRRESA-N 1 0 229.367 3.570 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348235411 136061441 /nfs/dbraw/zinc/06/14/41/136061441.db2.gz ATMYNVJSMZYPHK-GJZGRUSLSA-N 1 0 229.367 3.570 20 0 BHADRO CCC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348235415 136061103 /nfs/dbraw/zinc/06/11/03/136061103.db2.gz ATMYNVJSMZYPHK-HUUCEWRRSA-N 1 0 229.367 3.570 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348235419 136061090 /nfs/dbraw/zinc/06/10/90/136061090.db2.gz ATMYNVJSMZYPHK-LSDHHAIUSA-N 1 0 229.367 3.570 20 0 BHADRO C[N@@H+](Cc1ccccc1Cl)CC1CCC1 ZINC000348236718 136061617 /nfs/dbraw/zinc/06/16/17/136061617.db2.gz PAJVBTSTPAMXLR-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000348247177 136056888 /nfs/dbraw/zinc/05/68/88/136056888.db2.gz SDXWVCNRBUCFHR-PSASIEDQSA-N 1 0 249.301 3.521 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000348247179 136057005 /nfs/dbraw/zinc/05/70/05/136057005.db2.gz SDXWVCNRBUCFHR-SCZZXKLOSA-N 1 0 249.301 3.521 20 0 BHADRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000348247180 136056853 /nfs/dbraw/zinc/05/68/53/136056853.db2.gz SDXWVCNRBUCFHR-WCBMZHEXSA-N 1 0 249.301 3.521 20 0 BHADRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000348247182 136056543 /nfs/dbraw/zinc/05/65/43/136056543.db2.gz SDXWVCNRBUCFHR-WPRPVWTQSA-N 1 0 249.301 3.521 20 0 BHADRO CSCCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348249112 136057014 /nfs/dbraw/zinc/05/70/14/136057014.db2.gz UOJCATWOKFSDFI-CABCVRRESA-N 1 0 249.423 3.523 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348249114 136057052 /nfs/dbraw/zinc/05/70/52/136057052.db2.gz UOJCATWOKFSDFI-GJZGRUSLSA-N 1 0 249.423 3.523 20 0 BHADRO CSCCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348249116 136056581 /nfs/dbraw/zinc/05/65/81/136056581.db2.gz UOJCATWOKFSDFI-HUUCEWRRSA-N 1 0 249.423 3.523 20 0 BHADRO CSCCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348249120 136056745 /nfs/dbraw/zinc/05/67/45/136056745.db2.gz UOJCATWOKFSDFI-LSDHHAIUSA-N 1 0 249.423 3.523 20 0 BHADRO C1=C(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000348251937 136057559 /nfs/dbraw/zinc/05/75/59/136057559.db2.gz ALMNPLHRBTYHMC-DLBZAZTESA-N 1 0 241.378 3.880 20 0 BHADRO C1=C(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000348251938 136057259 /nfs/dbraw/zinc/05/72/59/136057259.db2.gz ALMNPLHRBTYHMC-IAGOWNOFSA-N 1 0 241.378 3.880 20 0 BHADRO C1=C(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000348251939 136057467 /nfs/dbraw/zinc/05/74/67/136057467.db2.gz ALMNPLHRBTYHMC-IRXDYDNUSA-N 1 0 241.378 3.880 20 0 BHADRO C1=C(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000348251940 136057291 /nfs/dbraw/zinc/05/72/91/136057291.db2.gz ALMNPLHRBTYHMC-SJORKVTESA-N 1 0 241.378 3.880 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(CC)nc1 ZINC000348252451 136057207 /nfs/dbraw/zinc/05/72/07/136057207.db2.gz BUHVHOSKVNQNDH-INIZCTEOSA-N 1 0 246.398 3.799 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC)nc1 ZINC000348252452 535409250 /nfs/dbraw/zinc/40/92/50/535409250.db2.gz BUHVHOSKVNQNDH-MRXNPFEDSA-N 1 0 246.398 3.799 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc(OC)c1 ZINC000348254735 136057340 /nfs/dbraw/zinc/05/73/40/136057340.db2.gz IJMYOMSUFHANEC-CABCVRRESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc(OC)c1 ZINC000348254739 136057414 /nfs/dbraw/zinc/05/74/14/136057414.db2.gz IJMYOMSUFHANEC-GJZGRUSLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(OC)c1 ZINC000348254742 535808080 /nfs/dbraw/zinc/80/80/80/535808080.db2.gz IJMYOMSUFHANEC-HUUCEWRRSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(OC)c1 ZINC000348254745 535932926 /nfs/dbraw/zinc/93/29/26/535932926.db2.gz IJMYOMSUFHANEC-LSDHHAIUSA-N 1 0 247.382 3.925 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000348260303 536180117 /nfs/dbraw/zinc/18/01/17/536180117.db2.gz IWQAFWQQHXABQM-CYBMUJFWSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000348260304 136057930 /nfs/dbraw/zinc/05/79/30/136057930.db2.gz IWQAFWQQHXABQM-ZDUSSCGKSA-N 1 0 246.398 3.512 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000348260718 136058023 /nfs/dbraw/zinc/05/80/23/136058023.db2.gz ODZBIVDYXHMWCP-GDBMZVCRSA-N 1 0 241.378 3.570 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000348260719 136057816 /nfs/dbraw/zinc/05/78/16/136057816.db2.gz ODZBIVDYXHMWCP-GOEBONIOSA-N 1 0 241.378 3.570 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000348260720 136057697 /nfs/dbraw/zinc/05/76/97/136057697.db2.gz ODZBIVDYXHMWCP-HOCLYGCPSA-N 1 0 241.378 3.570 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000348260721 136057731 /nfs/dbraw/zinc/05/77/31/136057731.db2.gz ODZBIVDYXHMWCP-ZBFHGGJFSA-N 1 0 241.378 3.570 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000348262501 136057611 /nfs/dbraw/zinc/05/76/11/136057611.db2.gz OOFGKPNCCXTZPS-CYBMUJFWSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)cn1 ZINC000348262502 136057647 /nfs/dbraw/zinc/05/76/47/136057647.db2.gz OOFGKPNCCXTZPS-ZDUSSCGKSA-N 1 0 246.398 3.512 20 0 BHADRO C[N@H+](CCCC1CCCC1)Cc1ccco1 ZINC000348273299 536329033 /nfs/dbraw/zinc/32/90/33/536329033.db2.gz FOHNRUSXPKLMRG-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[N@H+](C)Cc2cccnc2)C1 ZINC000348274964 136059396 /nfs/dbraw/zinc/05/93/96/136059396.db2.gz IONBBUJEQYGQDS-CABCVRRESA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H]1CCC[C@@H](CC[N@H+](C)Cc2cccnc2)C1 ZINC000348274965 136059129 /nfs/dbraw/zinc/05/91/29/136059129.db2.gz IONBBUJEQYGQDS-GJZGRUSLSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@@H]1CCC[C@H](CC[N@H+](C)Cc2cccnc2)C1 ZINC000348274966 136059406 /nfs/dbraw/zinc/05/94/06/136059406.db2.gz IONBBUJEQYGQDS-HUUCEWRRSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H]1CCC[C@H](CC[N@H+](C)Cc2cccnc2)C1 ZINC000348274967 136059386 /nfs/dbraw/zinc/05/93/86/136059386.db2.gz IONBBUJEQYGQDS-LSDHHAIUSA-N 1 0 246.398 3.730 20 0 BHADRO CSCCC[N@H+](C)Cc1ccc2occc2c1 ZINC000348285559 136060422 /nfs/dbraw/zinc/06/04/22/136060422.db2.gz RNQOFSGEPMYWFC-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO FCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348285589 136060520 /nfs/dbraw/zinc/06/05/20/136060520.db2.gz SCOWZRIDUFDVBR-UHFFFAOYSA-N 1 0 235.346 3.520 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cnn1C(C)C ZINC000348295126 136063055 /nfs/dbraw/zinc/06/30/55/136063055.db2.gz SCTXZJZUJLBJOG-BXUZGUMPSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H]2CCC2(C)C)cnn1C(C)C ZINC000348295128 136062846 /nfs/dbraw/zinc/06/28/46/136062846.db2.gz SCTXZJZUJLBJOG-FZMZJTMJSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@H]2CCC2(C)C)cnn1C(C)C ZINC000348295130 136062826 /nfs/dbraw/zinc/06/28/26/136062826.db2.gz SCTXZJZUJLBJOG-RISCZKNCSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H]2CCC2(C)C)cnn1C(C)C ZINC000348295131 136062891 /nfs/dbraw/zinc/06/28/91/136062891.db2.gz SCTXZJZUJLBJOG-SMDDNHRTSA-N 1 0 249.402 3.612 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348297607 136062924 /nfs/dbraw/zinc/06/29/24/136062924.db2.gz BVFRGFOGZDWDCG-GRYCIOLGSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348297608 136063283 /nfs/dbraw/zinc/06/32/83/136063283.db2.gz BVFRGFOGZDWDCG-SDDRHHMPSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348297609 136063364 /nfs/dbraw/zinc/06/33/64/136063364.db2.gz BVFRGFOGZDWDCG-SRVKXCTJSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348297611 136063623 /nfs/dbraw/zinc/06/36/23/136063623.db2.gz BVFRGFOGZDWDCG-WOPDTQHZSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000348299243 136063403 /nfs/dbraw/zinc/06/34/03/136063403.db2.gz FHQBWXPXDWKUQT-BBRMVZONSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000348299245 136063350 /nfs/dbraw/zinc/06/33/50/136063350.db2.gz FHQBWXPXDWKUQT-CJNGLKHVSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000348299246 136063250 /nfs/dbraw/zinc/06/32/50/136063250.db2.gz FHQBWXPXDWKUQT-CZUORRHYSA-N 1 0 229.367 3.842 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000348299247 536099467 /nfs/dbraw/zinc/09/94/67/536099467.db2.gz FHQBWXPXDWKUQT-XJKSGUPXSA-N 1 0 229.367 3.842 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348299276 136063693 /nfs/dbraw/zinc/06/36/93/136063693.db2.gz FNYCXEMYLLYXGM-DLBZAZTESA-N 1 0 241.378 3.842 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348299278 136063320 /nfs/dbraw/zinc/06/33/20/136063320.db2.gz FNYCXEMYLLYXGM-IAGOWNOFSA-N 1 0 241.378 3.842 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348299279 136063549 /nfs/dbraw/zinc/06/35/49/136063549.db2.gz FNYCXEMYLLYXGM-IRXDYDNUSA-N 1 0 241.378 3.842 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348299280 136063622 /nfs/dbraw/zinc/06/36/22/136063622.db2.gz FNYCXEMYLLYXGM-SJORKVTESA-N 1 0 241.378 3.842 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000348302784 136064708 /nfs/dbraw/zinc/06/47/08/136064708.db2.gz NADBSUFHZOXKMR-BPLDGKMQSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000348302785 136064748 /nfs/dbraw/zinc/06/47/48/136064748.db2.gz NADBSUFHZOXKMR-SNPRPXQTSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000348302786 535823781 /nfs/dbraw/zinc/82/37/81/535823781.db2.gz NADBSUFHZOXKMR-VHDGCEQUSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000348302787 535824950 /nfs/dbraw/zinc/82/49/50/535824950.db2.gz NADBSUFHZOXKMR-YUELXQCFSA-N 1 0 245.366 3.597 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348302799 136064630 /nfs/dbraw/zinc/06/46/30/136064630.db2.gz NCJOBZXFYXIOIG-FPMFFAJLSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348302800 136064783 /nfs/dbraw/zinc/06/47/83/136064783.db2.gz NCJOBZXFYXIOIG-KWCYVHTRSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348302801 136064873 /nfs/dbraw/zinc/06/48/73/136064873.db2.gz NCJOBZXFYXIOIG-UBHSHLNASA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348302802 136064944 /nfs/dbraw/zinc/06/49/44/136064944.db2.gz NCJOBZXFYXIOIG-XBFCOCLRSA-N 1 0 247.407 3.904 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000348308663 136066828 /nfs/dbraw/zinc/06/68/28/136066828.db2.gz PAIMDDQWZYYDPI-BBRMVZONSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C)cn1 ZINC000348308665 136066539 /nfs/dbraw/zinc/06/65/39/136066539.db2.gz PAIMDDQWZYYDPI-CJNGLKHVSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)cn1 ZINC000348308667 136066783 /nfs/dbraw/zinc/06/67/83/136066783.db2.gz PAIMDDQWZYYDPI-CZUORRHYSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cn1 ZINC000348309087 136066731 /nfs/dbraw/zinc/06/67/31/136066731.db2.gz PAIMDDQWZYYDPI-XJKSGUPXSA-N 1 0 246.398 3.655 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310428 136066916 /nfs/dbraw/zinc/06/69/16/136066916.db2.gz BZXXQPBCZYPYMV-FWDPORAESA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310429 136067269 /nfs/dbraw/zinc/06/72/69/136067269.db2.gz BZXXQPBCZYPYMV-GMOODISLSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310431 136067257 /nfs/dbraw/zinc/06/72/57/136067257.db2.gz BZXXQPBCZYPYMV-IYYTYJHQSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310432 136067028 /nfs/dbraw/zinc/06/70/28/136067028.db2.gz BZXXQPBCZYPYMV-PLMOITTCSA-N 1 0 243.272 3.506 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccccc1F ZINC000348310723 136067188 /nfs/dbraw/zinc/06/71/88/136067188.db2.gz SVQSXSVKZRDQJN-ADEWGFFLSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000348310732 136066947 /nfs/dbraw/zinc/06/69/47/136066947.db2.gz SVQSXSVKZRDQJN-DLOVCJGASA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccccc1F ZINC000348310745 136067039 /nfs/dbraw/zinc/06/70/39/136067039.db2.gz SVQSXSVKZRDQJN-USWWRNFRSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000348310755 136067145 /nfs/dbraw/zinc/06/71/45/136067145.db2.gz SVQSXSVKZRDQJN-ZMLRMANQSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000348311109 136067071 /nfs/dbraw/zinc/06/70/71/136067071.db2.gz CQAFGZSKGPKXFU-IHRRRGAJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000348311111 535940190 /nfs/dbraw/zinc/94/01/90/535940190.db2.gz CQAFGZSKGPKXFU-MCIONIFRSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000348311113 535940685 /nfs/dbraw/zinc/94/06/85/535940685.db2.gz CQAFGZSKGPKXFU-MJBXVCDLSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000348311114 136066914 /nfs/dbraw/zinc/06/69/14/136066914.db2.gz CQAFGZSKGPKXFU-RDBSUJKOSA-N 1 0 239.309 3.757 20 0 BHADRO COCCCC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000348312204 536884619 /nfs/dbraw/zinc/88/46/19/536884619.db2.gz FKMXRKBWIAIMCB-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCCC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000348312206 136067363 /nfs/dbraw/zinc/06/73/63/136067363.db2.gz FKMXRKBWIAIMCB-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC1(C)C)c1cccnc1 ZINC000348313061 136067654 /nfs/dbraw/zinc/06/76/54/136067654.db2.gz UZCCTPDNZZTGJC-KBPBESRZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccnc1 ZINC000348313064 136067552 /nfs/dbraw/zinc/06/75/52/136067552.db2.gz UZCCTPDNZZTGJC-KGLIPLIRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccnc1 ZINC000348313066 136067535 /nfs/dbraw/zinc/06/75/35/136067535.db2.gz UZCCTPDNZZTGJC-UONOGXRCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccnc1 ZINC000348313068 535225573 /nfs/dbraw/zinc/22/55/73/535225573.db2.gz UZCCTPDNZZTGJC-ZIAGYGMSSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(C)c1 ZINC000348313525 136067979 /nfs/dbraw/zinc/06/79/79/136067979.db2.gz AKIBHUDMVACLGU-ILXRZTDVSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(C)c1 ZINC000348313527 535940830 /nfs/dbraw/zinc/94/08/30/535940830.db2.gz AKIBHUDMVACLGU-KFWWJZLASA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(C)c1 ZINC000348313529 136068102 /nfs/dbraw/zinc/06/81/02/136068102.db2.gz AKIBHUDMVACLGU-KKUMJFAQSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(C)c1 ZINC000348313532 535940725 /nfs/dbraw/zinc/94/07/25/535940725.db2.gz AKIBHUDMVACLGU-ZNMIVQPWSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348314588 136067842 /nfs/dbraw/zinc/06/78/42/136067842.db2.gz SPCXULAGGZAWFJ-GRYCIOLGSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348314589 136067880 /nfs/dbraw/zinc/06/78/80/136067880.db2.gz SPCXULAGGZAWFJ-SDDRHHMPSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348314590 136067733 /nfs/dbraw/zinc/06/77/33/136067733.db2.gz SPCXULAGGZAWFJ-SRVKXCTJSA-N 1 0 243.272 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348314591 136067798 /nfs/dbraw/zinc/06/77/98/136067798.db2.gz SPCXULAGGZAWFJ-WOPDTQHZSA-N 1 0 243.272 3.520 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(F)c1 ZINC000348314896 136067927 /nfs/dbraw/zinc/06/79/27/136067927.db2.gz HSKFHSWOQORRBG-LLVKDONJSA-N 1 0 239.309 3.759 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(F)c1 ZINC000348314897 136067901 /nfs/dbraw/zinc/06/79/01/136067901.db2.gz HSKFHSWOQORRBG-NSHDSACASA-N 1 0 239.309 3.759 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccccc1F ZINC000348315723 136068126 /nfs/dbraw/zinc/06/81/26/136068126.db2.gz COKDYMUXRVTAJE-LLVKDONJSA-N 1 0 239.309 3.759 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccccc1F ZINC000348315725 136068308 /nfs/dbraw/zinc/06/83/08/136068308.db2.gz COKDYMUXRVTAJE-NSHDSACASA-N 1 0 239.309 3.759 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCc3ccccc32)CCC1 ZINC000348316712 136068284 /nfs/dbraw/zinc/06/82/84/136068284.db2.gz DLVHCZXBINOLQX-HNNXBMFYSA-N 1 0 247.357 3.936 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCc3ccccc32)CCC1 ZINC000348316715 136068149 /nfs/dbraw/zinc/06/81/49/136068149.db2.gz DLVHCZXBINOLQX-OAHLLOKOSA-N 1 0 247.357 3.936 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCc3occc32)CCC1 ZINC000348316749 136068142 /nfs/dbraw/zinc/06/81/42/136068142.db2.gz DMTHCMWWMGIZET-GFCCVEGCSA-N 1 0 237.318 3.529 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCc3occc32)CCC1 ZINC000348316751 136068479 /nfs/dbraw/zinc/06/84/79/136068479.db2.gz DMTHCMWWMGIZET-LBPRGKRZSA-N 1 0 237.318 3.529 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)CCC2 ZINC000348316800 136068335 /nfs/dbraw/zinc/06/83/35/136068335.db2.gz DPQKMMVREGFQRO-IIAWOOMASA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](F)C1)CCC2 ZINC000348316803 136068482 /nfs/dbraw/zinc/06/84/82/136068482.db2.gz DPQKMMVREGFQRO-IJEWVQPXSA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](F)C1)CCC2 ZINC000348316807 136068381 /nfs/dbraw/zinc/06/83/81/136068381.db2.gz DPQKMMVREGFQRO-OFQRWUPVSA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)CCC2 ZINC000348316810 136068495 /nfs/dbraw/zinc/06/84/95/136068495.db2.gz DPQKMMVREGFQRO-SQWLQELKSA-N 1 0 247.357 3.853 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(F)cc1 ZINC000348317239 136068764 /nfs/dbraw/zinc/06/87/64/136068764.db2.gz JHSXOXVDHKBOHL-IHRRRGAJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(F)cc1 ZINC000348317241 535940444 /nfs/dbraw/zinc/94/04/44/535940444.db2.gz JHSXOXVDHKBOHL-MCIONIFRSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(F)cc1 ZINC000348317242 535940794 /nfs/dbraw/zinc/94/07/94/535940794.db2.gz JHSXOXVDHKBOHL-MJBXVCDLSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(F)cc1 ZINC000348317244 136068572 /nfs/dbraw/zinc/06/85/72/136068572.db2.gz JHSXOXVDHKBOHL-RDBSUJKOSA-N 1 0 239.309 3.757 20 0 BHADRO COCCCC[C@H]([NH2+]CC(C)C)c1ccccc1 ZINC000348317679 536884889 /nfs/dbraw/zinc/88/48/89/536884889.db2.gz KSDGQWWPEQNNIB-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO COCCCC[C@@H]([NH2+]CC(C)C)c1ccccc1 ZINC000348317680 136068791 /nfs/dbraw/zinc/06/87/91/136068791.db2.gz KSDGQWWPEQNNIB-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348318316 136068620 /nfs/dbraw/zinc/06/86/20/136068620.db2.gz XKRNNLFNVZMHTP-AGIUHOORSA-N 1 0 239.309 3.771 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348318322 136068705 /nfs/dbraw/zinc/06/87/05/136068705.db2.gz XKRNNLFNVZMHTP-AVGNSLFASA-N 1 0 239.309 3.771 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348318324 136068969 /nfs/dbraw/zinc/06/89/69/136068969.db2.gz XKRNNLFNVZMHTP-FRRDWIJNSA-N 1 0 239.309 3.771 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348318328 136068849 /nfs/dbraw/zinc/06/88/49/136068849.db2.gz XKRNNLFNVZMHTP-RWMBFGLXSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000348318587 536099764 /nfs/dbraw/zinc/09/97/64/536099764.db2.gz YTGWVIMGWORMBS-DZGCQCFKSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000348318588 136068958 /nfs/dbraw/zinc/06/89/58/136068958.db2.gz YTGWVIMGWORMBS-HIFRSBDPSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000348318590 136068557 /nfs/dbraw/zinc/06/85/57/136068557.db2.gz YTGWVIMGWORMBS-UKRRQHHQSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000348318592 136068771 /nfs/dbraw/zinc/06/87/71/136068771.db2.gz YTGWVIMGWORMBS-ZFWWWQNUSA-N 1 0 240.350 3.513 20 0 BHADRO COCC(C)(C)CCC[NH2+]C1CCC(C)CC1 ZINC000348318858 536785160 /nfs/dbraw/zinc/78/51/60/536785160.db2.gz GCMJIERMVDDVKV-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(F)c(F)c1 ZINC000348318940 136068937 /nfs/dbraw/zinc/06/89/37/136068937.db2.gz KWZFIGKNRSKEMN-GDPRMGEGSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(F)c(F)c1 ZINC000348318941 136068874 /nfs/dbraw/zinc/06/88/74/136068874.db2.gz KWZFIGKNRSKEMN-INTQDDNPSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(F)c(F)c1 ZINC000348318943 136068745 /nfs/dbraw/zinc/06/87/45/136068745.db2.gz KWZFIGKNRSKEMN-JMJZKYOTSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(F)c(F)c1 ZINC000348318944 136068953 /nfs/dbraw/zinc/06/89/53/136068953.db2.gz KWZFIGKNRSKEMN-LSJOCFKGSA-N 1 0 243.272 3.506 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(F)CCC2)oc1C ZINC000348320108 136069271 /nfs/dbraw/zinc/06/92/71/136069271.db2.gz LWOUUQOIDFOMQF-LLVKDONJSA-N 1 0 239.334 3.829 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(F)CCC2)oc1C ZINC000348320109 136069376 /nfs/dbraw/zinc/06/93/76/136069376.db2.gz LWOUUQOIDFOMQF-NSHDSACASA-N 1 0 239.334 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc(C)c1 ZINC000348320409 136069193 /nfs/dbraw/zinc/06/91/93/136069193.db2.gz ZWAYVJRCZQASNA-AGIUHOORSA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000348320410 136069005 /nfs/dbraw/zinc/06/90/05/136069005.db2.gz ZWAYVJRCZQASNA-AVGNSLFASA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc(C)c1 ZINC000348320411 136069339 /nfs/dbraw/zinc/06/93/39/136069339.db2.gz ZWAYVJRCZQASNA-FRRDWIJNSA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000348320412 136069182 /nfs/dbraw/zinc/06/91/82/136069182.db2.gz ZWAYVJRCZQASNA-RWMBFGLXSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000348321481 136069277 /nfs/dbraw/zinc/06/92/77/136069277.db2.gz HMWIPNOVCVZTGW-FUUBYGMNSA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000348321483 136069132 /nfs/dbraw/zinc/06/91/32/136069132.db2.gz HMWIPNOVCVZTGW-GQKFXUNGSA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000348321484 136069539 /nfs/dbraw/zinc/06/95/39/136069539.db2.gz HMWIPNOVCVZTGW-PIOWNMBXSA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000348321485 136069449 /nfs/dbraw/zinc/06/94/49/136069449.db2.gz HMWIPNOVCVZTGW-RAFNIBEQSA-N 1 0 247.357 3.721 20 0 BHADRO FC1(CC[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC000348323094 136069422 /nfs/dbraw/zinc/06/94/22/136069422.db2.gz JGSKUCRSDZSHQE-AWEZNQCLSA-N 1 0 233.330 3.546 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC000348323097 136069743 /nfs/dbraw/zinc/06/97/43/136069743.db2.gz JGSKUCRSDZSHQE-CQSZACIVSA-N 1 0 233.330 3.546 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(F)CCC2)c(C)o1 ZINC000348327434 136070737 /nfs/dbraw/zinc/07/07/37/136070737.db2.gz OGGSPOAEDKHMEU-LLVKDONJSA-N 1 0 239.334 3.829 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(F)CCC2)c(C)o1 ZINC000348327438 136070918 /nfs/dbraw/zinc/07/09/18/136070918.db2.gz OGGSPOAEDKHMEU-NSHDSACASA-N 1 0 239.334 3.829 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(F)c1F ZINC000348329348 136071246 /nfs/dbraw/zinc/07/12/46/136071246.db2.gz QTWJAFKCWSMJSK-AEJSXWLSSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(F)c1F ZINC000348329350 136071440 /nfs/dbraw/zinc/07/14/40/136071440.db2.gz QTWJAFKCWSMJSK-GUBZILKMSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(F)c1F ZINC000348329352 136071401 /nfs/dbraw/zinc/07/14/01/136071401.db2.gz QTWJAFKCWSMJSK-IVZWLZJFSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(F)c1F ZINC000348329354 136071139 /nfs/dbraw/zinc/07/11/39/136071139.db2.gz QTWJAFKCWSMJSK-LPEHRKFASA-N 1 0 243.272 3.506 20 0 BHADRO FC(F)C1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000348329789 136064692 /nfs/dbraw/zinc/06/46/92/136064692.db2.gz RJXDQMQPKNUGMC-UHFFFAOYSA-N 1 0 249.320 3.682 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000348330192 535940495 /nfs/dbraw/zinc/94/04/95/535940495.db2.gz RZKKHGYJIKJMKG-GYSYKLTISA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccccc1F ZINC000348330193 136074480 /nfs/dbraw/zinc/07/44/80/136074480.db2.gz RZKKHGYJIKJMKG-MJVIPROJSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000348330194 136074647 /nfs/dbraw/zinc/07/46/47/136074647.db2.gz RZKKHGYJIKJMKG-SUNKGSAMSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1F ZINC000348330195 535940679 /nfs/dbraw/zinc/94/06/79/535940679.db2.gz RZKKHGYJIKJMKG-WDMOLILDSA-N 1 0 239.309 3.757 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000348330589 136074688 /nfs/dbraw/zinc/07/46/88/136074688.db2.gz SVDKXBURECLKED-ILXRZTDVSA-N 1 0 233.330 3.618 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000348330590 136074502 /nfs/dbraw/zinc/07/45/02/136074502.db2.gz SVDKXBURECLKED-KFWWJZLASA-N 1 0 233.330 3.618 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000348330591 136074778 /nfs/dbraw/zinc/07/47/78/136074778.db2.gz SVDKXBURECLKED-QLFBSQMISA-N 1 0 233.330 3.618 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000348330592 136074555 /nfs/dbraw/zinc/07/45/55/136074555.db2.gz SVDKXBURECLKED-RBSFLKMASA-N 1 0 233.330 3.618 20 0 BHADRO COCCCC[C@H]([NH2+]C(C)C)c1ccccc1 ZINC000348331731 536884275 /nfs/dbraw/zinc/88/42/75/536884275.db2.gz RSEVWFAKJGWMTD-HNNXBMFYSA-N 1 0 235.371 3.542 20 0 BHADRO COCCCC[C@@H]([NH2+]C(C)C)c1ccccc1 ZINC000348331732 136075036 /nfs/dbraw/zinc/07/50/36/136075036.db2.gz RSEVWFAKJGWMTD-OAHLLOKOSA-N 1 0 235.371 3.542 20 0 BHADRO CC1=CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000348332546 136075335 /nfs/dbraw/zinc/07/53/35/136075335.db2.gz AUISJSAMYAUSPB-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO CCCC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000348333227 136075224 /nfs/dbraw/zinc/07/52/24/136075224.db2.gz YCSTWVOWTFUWPE-INIZCTEOSA-N 1 0 249.398 3.934 20 0 BHADRO CCCC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000348333228 535295508 /nfs/dbraw/zinc/29/55/08/535295508.db2.gz YCSTWVOWTFUWPE-MRXNPFEDSA-N 1 0 249.398 3.934 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc2c(c1)CCC2 ZINC000348334519 136075804 /nfs/dbraw/zinc/07/58/04/136075804.db2.gz PQJNBWSDHBQUGC-IUIKQTSFSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc2c(c1)CCC2 ZINC000348334520 136075779 /nfs/dbraw/zinc/07/57/79/136075779.db2.gz PQJNBWSDHBQUGC-KNXALSJPSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc2c(c1)CCC2 ZINC000348334521 136075681 /nfs/dbraw/zinc/07/56/81/136075681.db2.gz PQJNBWSDHBQUGC-UVBJJODRSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc2c(c1)CCC2 ZINC000348334522 136075897 /nfs/dbraw/zinc/07/58/97/136075897.db2.gz PQJNBWSDHBQUGC-XZJROXQQSA-N 1 0 247.357 3.717 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000348341652 136071408 /nfs/dbraw/zinc/07/14/08/136071408.db2.gz YTWYZNYBKSQXFL-FMKPAKJESA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000348341653 136071421 /nfs/dbraw/zinc/07/14/21/136071421.db2.gz YTWYZNYBKSQXFL-IIAWOOMASA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000348341654 136071366 /nfs/dbraw/zinc/07/13/66/136071366.db2.gz YTWYZNYBKSQXFL-IJEWVQPXSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000348341655 136071275 /nfs/dbraw/zinc/07/12/75/136071275.db2.gz YTWYZNYBKSQXFL-YCPHGPKFSA-N 1 0 247.357 3.934 20 0 BHADRO c1cc2cc(C[N@@H+]3CCCC34CCC4)ccc2o1 ZINC000348349562 136071866 /nfs/dbraw/zinc/07/18/66/136071866.db2.gz BOKJIUXUDWENPU-UHFFFAOYSA-N 1 0 241.334 3.951 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)cn1 ZINC000348350470 136072007 /nfs/dbraw/zinc/07/20/07/136072007.db2.gz CHBMLPUPJPWRPZ-HNNXBMFYSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)cn1 ZINC000348350471 136071892 /nfs/dbraw/zinc/07/18/92/136071892.db2.gz CHBMLPUPJPWRPZ-OAHLLOKOSA-N 1 0 246.398 3.655 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc(C)cc1 ZINC000348351838 136072178 /nfs/dbraw/zinc/07/21/78/136072178.db2.gz YKAOPORVNZFSBU-AGIUHOORSA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000348351841 136072212 /nfs/dbraw/zinc/07/22/12/136072212.db2.gz YKAOPORVNZFSBU-AVGNSLFASA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc(C)cc1 ZINC000348351845 136072016 /nfs/dbraw/zinc/07/20/16/136072016.db2.gz YKAOPORVNZFSBU-FRRDWIJNSA-N 1 0 239.309 3.689 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000348351850 136071899 /nfs/dbraw/zinc/07/18/99/136071899.db2.gz YKAOPORVNZFSBU-RWMBFGLXSA-N 1 0 239.309 3.689 20 0 BHADRO C[N@H+](Cc1ccc2occc2c1)[C@H]1CC1(C)C ZINC000348358231 536473826 /nfs/dbraw/zinc/47/38/26/536473826.db2.gz QGGNVTIOHVBJGW-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO C[N@H+](Cc1ccc2occc2c1)[C@@H]1CC1(C)C ZINC000348358233 536473944 /nfs/dbraw/zinc/47/39/44/536473944.db2.gz QGGNVTIOHVBJGW-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCC3)cc(C)c1O ZINC000348359391 136072838 /nfs/dbraw/zinc/07/28/38/136072838.db2.gz SULYSCCFUNRQPN-UHFFFAOYSA-N 1 0 245.366 3.528 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348360334 136072743 /nfs/dbraw/zinc/07/27/43/136072743.db2.gz VFZBJJRXEKMZAZ-HNNXBMFYSA-N 1 0 244.382 3.713 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348360361 136072410 /nfs/dbraw/zinc/07/24/10/136072410.db2.gz VFZBJJRXEKMZAZ-OAHLLOKOSA-N 1 0 244.382 3.713 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1c(C)noc1C ZINC000348383192 535948466 /nfs/dbraw/zinc/94/84/66/535948466.db2.gz SRSIVWIYVZFHRF-AGIUHOORSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1c(C)noc1C ZINC000348383195 136074191 /nfs/dbraw/zinc/07/41/91/136074191.db2.gz SRSIVWIYVZFHRF-AVGNSLFASA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1c(C)noc1C ZINC000348383197 535940555 /nfs/dbraw/zinc/94/05/55/535940555.db2.gz SRSIVWIYVZFHRF-FRRDWIJNSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1c(C)noc1C ZINC000348383199 535940381 /nfs/dbraw/zinc/94/03/81/535940381.db2.gz SRSIVWIYVZFHRF-RWMBFGLXSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1c(C)noc1C ZINC000348387116 537897254 /nfs/dbraw/zinc/89/72/54/537897254.db2.gz YOPJCIWTWOBLFJ-HZSPNIEDSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1c(C)noc1C ZINC000348387118 537897137 /nfs/dbraw/zinc/89/71/37/537897137.db2.gz YOPJCIWTWOBLFJ-IHRRRGAJSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1c(C)noc1C ZINC000348387121 537896874 /nfs/dbraw/zinc/89/68/74/537896874.db2.gz YOPJCIWTWOBLFJ-MELADBBJSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1c(C)noc1C ZINC000348387123 537896669 /nfs/dbraw/zinc/89/66/69/537896669.db2.gz YOPJCIWTWOBLFJ-RDBSUJKOSA-N 1 0 248.370 3.521 20 0 BHADRO FC1(CC[NH2+]C(C2CCC2)C2CCC2)CCC1 ZINC000348389809 136075992 /nfs/dbraw/zinc/07/59/92/136075992.db2.gz HQLFRKIHOILEHS-UHFFFAOYSA-N 1 0 239.378 3.827 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cc(F)ccc1F ZINC000348391294 136076305 /nfs/dbraw/zinc/07/63/05/136076305.db2.gz HYQDNBBLPKDWDI-ATZCPNFKSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cc(F)ccc1F ZINC000348391297 136076373 /nfs/dbraw/zinc/07/63/73/136076373.db2.gz HYQDNBBLPKDWDI-IQJOONFLSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cc(F)ccc1F ZINC000348391300 136076426 /nfs/dbraw/zinc/07/64/26/136076426.db2.gz HYQDNBBLPKDWDI-NGZCFLSTSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cc(F)ccc1F ZINC000348391304 136076160 /nfs/dbraw/zinc/07/61/60/136076160.db2.gz HYQDNBBLPKDWDI-QXEWZRGKSA-N 1 0 243.272 3.506 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(C)cc1 ZINC000348392801 136076088 /nfs/dbraw/zinc/07/60/88/136076088.db2.gz IWEVRNAXVGGBRN-ILXRZTDVSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(C)cc1 ZINC000348392802 535940518 /nfs/dbraw/zinc/94/05/18/535940518.db2.gz IWEVRNAXVGGBRN-KFWWJZLASA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(C)cc1 ZINC000348392803 136076274 /nfs/dbraw/zinc/07/62/74/136076274.db2.gz IWEVRNAXVGGBRN-KKUMJFAQSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(C)cc1 ZINC000348392804 535940546 /nfs/dbraw/zinc/94/05/46/535940546.db2.gz IWEVRNAXVGGBRN-ZNMIVQPWSA-N 1 0 235.346 3.926 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000348392904 136076422 /nfs/dbraw/zinc/07/64/22/136076422.db2.gz JEWXTAOCLWJVTI-IPYPFGDCSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000348392906 136076295 /nfs/dbraw/zinc/07/62/95/136076295.db2.gz JEWXTAOCLWJVTI-NFAWXSAZSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000348392908 136076239 /nfs/dbraw/zinc/07/62/39/136076239.db2.gz JEWXTAOCLWJVTI-UMVBOHGHSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000348392911 136076298 /nfs/dbraw/zinc/07/62/98/136076298.db2.gz JEWXTAOCLWJVTI-VNHYZAJKSA-N 1 0 233.330 3.544 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000348399114 535357672 /nfs/dbraw/zinc/35/76/72/535357672.db2.gz ABLVGPLHNYDARJ-INIZCTEOSA-N 1 0 244.382 3.879 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348399116 535358117 /nfs/dbraw/zinc/35/81/17/535358117.db2.gz ABLVGPLHNYDARJ-MRXNPFEDSA-N 1 0 244.382 3.879 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000348402790 535353869 /nfs/dbraw/zinc/35/38/69/535353869.db2.gz GCTCWYTZXYJZFD-HNNXBMFYSA-N 1 0 246.398 3.959 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348402792 535354042 /nfs/dbraw/zinc/35/40/42/535354042.db2.gz GCTCWYTZXYJZFD-OAHLLOKOSA-N 1 0 246.398 3.959 20 0 BHADRO CCc1ccc(C[N@H+](CC2CCC2)C(C)C)cn1 ZINC000348403779 536172459 /nfs/dbraw/zinc/17/24/59/536172459.db2.gz HFDAZUBICAOVCT-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cn1 ZINC000348404376 536180211 /nfs/dbraw/zinc/18/02/11/536180211.db2.gz FJOIZCRPUFISET-HZSPNIEDSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cn1 ZINC000348404378 536180193 /nfs/dbraw/zinc/18/01/93/536180193.db2.gz FJOIZCRPUFISET-MCIONIFRSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cn1 ZINC000348404379 536179869 /nfs/dbraw/zinc/17/98/69/536179869.db2.gz FJOIZCRPUFISET-MGPQQGTHSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cn1 ZINC000348404380 536179714 /nfs/dbraw/zinc/17/97/14/536179714.db2.gz FJOIZCRPUFISET-RDBSUJKOSA-N 1 0 246.398 3.510 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(F)cc1F ZINC000348407865 136077041 /nfs/dbraw/zinc/07/70/41/136077041.db2.gz NIVCSSLZIJBKPU-ATZCPNFKSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(F)cc1F ZINC000348407867 136076927 /nfs/dbraw/zinc/07/69/27/136076927.db2.gz NIVCSSLZIJBKPU-IQJOONFLSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(F)cc1F ZINC000348407869 136076925 /nfs/dbraw/zinc/07/69/25/136076925.db2.gz NIVCSSLZIJBKPU-NGZCFLSTSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(F)cc1F ZINC000348407870 136076987 /nfs/dbraw/zinc/07/69/87/136076987.db2.gz NIVCSSLZIJBKPU-QXEWZRGKSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CCC(F)(F)CC1 ZINC000348407966 136077249 /nfs/dbraw/zinc/07/72/49/136077249.db2.gz NNJRBFDXKLXWJX-DLOVCJGASA-N 1 0 249.320 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CCC(F)(F)CC1 ZINC000348407973 136077056 /nfs/dbraw/zinc/07/70/56/136077056.db2.gz NNJRBFDXKLXWJX-MVWJERBFSA-N 1 0 249.320 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CCC(F)(F)CC1 ZINC000348407976 136077003 /nfs/dbraw/zinc/07/70/03/136077003.db2.gz NNJRBFDXKLXWJX-WCQGTBRESA-N 1 0 249.320 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CCC(F)(F)CC1 ZINC000348407979 136077160 /nfs/dbraw/zinc/07/71/60/136077160.db2.gz NNJRBFDXKLXWJX-ZMLRMANQSA-N 1 0 249.320 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000348417585 535823813 /nfs/dbraw/zinc/82/38/13/535823813.db2.gz ISKZEEGZMKFFNZ-BYCMXARLSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000348417589 535824887 /nfs/dbraw/zinc/82/48/87/535824887.db2.gz ISKZEEGZMKFFNZ-DFBGVHRSSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000348417591 136077902 /nfs/dbraw/zinc/07/79/02/136077902.db2.gz ISKZEEGZMKFFNZ-KCPJHIHWSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000348417593 136077971 /nfs/dbraw/zinc/07/79/71/136077971.db2.gz ISKZEEGZMKFFNZ-UGFHNGPFSA-N 1 0 245.366 3.548 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000348426815 136078291 /nfs/dbraw/zinc/07/82/91/136078291.db2.gz VDNBHPSKCLPSEV-INIZCTEOSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000348426817 136078392 /nfs/dbraw/zinc/07/83/92/136078392.db2.gz VDNBHPSKCLPSEV-MRXNPFEDSA-N 1 0 241.378 3.986 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)o1 ZINC000348436521 136078750 /nfs/dbraw/zinc/07/87/50/136078750.db2.gz XJWFVUPKRKEBAE-LLVKDONJSA-N 1 0 239.334 3.775 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)o1 ZINC000348436523 136078549 /nfs/dbraw/zinc/07/85/49/136078549.db2.gz XJWFVUPKRKEBAE-NSHDSACASA-N 1 0 239.334 3.775 20 0 BHADRO c1coc(C2=CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000348639484 136114785 /nfs/dbraw/zinc/11/47/85/136114785.db2.gz YRZWAOZUMYFWCX-AWEZNQCLSA-N 1 0 243.350 3.725 20 0 BHADRO c1coc(C2=CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000348639485 136114840 /nfs/dbraw/zinc/11/48/40/136114840.db2.gz YRZWAOZUMYFWCX-CQSZACIVSA-N 1 0 243.350 3.725 20 0 BHADRO Cc1cccc(CCC[NH2+]C[C@@H](C)CC(C)C)n1 ZINC000348674468 136113627 /nfs/dbraw/zinc/11/36/27/136113627.db2.gz OESONAJOQGIRCA-AWEZNQCLSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1cccc(CCC[NH2+]C[C@H](C)CC(C)C)n1 ZINC000348674477 136113506 /nfs/dbraw/zinc/11/35/06/136113506.db2.gz OESONAJOQGIRCA-CQSZACIVSA-N 1 0 248.414 3.594 20 0 BHADRO CC1(C[N@@H+]2CCC=C(c3ccco3)C2)CCC1 ZINC000348677899 136113558 /nfs/dbraw/zinc/11/35/58/136113558.db2.gz WQPXDNUBHSXMEF-UHFFFAOYSA-N 1 0 231.339 3.559 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C(F)(F)F)C2)o1 ZINC000348694977 136116044 /nfs/dbraw/zinc/11/60/44/136116044.db2.gz ILHYQIXVYDQDEM-IDKOKCKLSA-N 1 0 247.260 3.580 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(F)(F)F)C2)o1 ZINC000348694980 136115765 /nfs/dbraw/zinc/11/57/65/136115765.db2.gz ILHYQIXVYDQDEM-XNWIYYODSA-N 1 0 247.260 3.580 20 0 BHADRO c1oc2ccccc2c1C[NH+]1CC(C2CCC2)C1 ZINC000348699027 136115810 /nfs/dbraw/zinc/11/58/10/136115810.db2.gz ACIUWZKMBNYAPQ-UHFFFAOYSA-N 1 0 241.334 3.665 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000348708884 136116690 /nfs/dbraw/zinc/11/66/90/136116690.db2.gz AEVLOBFJVDETCZ-ABAIWWIYSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000348708885 136117164 /nfs/dbraw/zinc/11/71/64/136117164.db2.gz AEVLOBFJVDETCZ-IAQYHMDHSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000348708886 136116639 /nfs/dbraw/zinc/11/66/39/136116639.db2.gz AEVLOBFJVDETCZ-NHYWBVRUSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000348708887 136117022 /nfs/dbraw/zinc/11/70/22/136117022.db2.gz AEVLOBFJVDETCZ-XHDPSFHLSA-N 1 0 245.366 3.635 20 0 BHADRO CSc1ccc(C[NH+]2CC(C3CCC3)C2)cc1 ZINC000348710716 136117008 /nfs/dbraw/zinc/11/70/08/136117008.db2.gz PLUCPWCXNIWSDE-UHFFFAOYSA-N 1 0 247.407 3.640 20 0 BHADRO c1cc2cc(C[NH+]3CC(C4CCC4)C3)ccc2o1 ZINC000348713171 136293994 /nfs/dbraw/zinc/29/39/94/136293994.db2.gz KANOIPXNWCQEKA-UHFFFAOYSA-N 1 0 241.334 3.665 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000348807572 136239396 /nfs/dbraw/zinc/23/93/96/136239396.db2.gz JIPOLCQFYXHVPO-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000348807575 535410418 /nfs/dbraw/zinc/41/04/18/535410418.db2.gz JIPOLCQFYXHVPO-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000348814162 136299043 /nfs/dbraw/zinc/29/90/43/136299043.db2.gz ZMOHNLBWMIUITD-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000348814163 535410386 /nfs/dbraw/zinc/41/03/86/535410386.db2.gz ZMOHNLBWMIUITD-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000348818809 535409780 /nfs/dbraw/zinc/40/97/80/535409780.db2.gz HVEBHOVKRPZGBJ-CYBMUJFWSA-N 1 0 248.370 3.707 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000348822008 535410023 /nfs/dbraw/zinc/41/00/23/535410023.db2.gz MRAWTGOJGRCPFU-CABCVRRESA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000348822010 136299245 /nfs/dbraw/zinc/29/92/45/136299245.db2.gz MRAWTGOJGRCPFU-GJZGRUSLSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000348822011 535410497 /nfs/dbraw/zinc/41/04/97/535410497.db2.gz MRAWTGOJGRCPFU-HUUCEWRRSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000348822013 136299470 /nfs/dbraw/zinc/29/94/70/136299470.db2.gz MRAWTGOJGRCPFU-LSDHHAIUSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000348823072 136299945 /nfs/dbraw/zinc/29/99/45/136299945.db2.gz SJWWMKLBDPSBSO-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000348823073 535410392 /nfs/dbraw/zinc/41/03/92/535410392.db2.gz SJWWMKLBDPSBSO-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC(CC)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000348831986 136303610 /nfs/dbraw/zinc/30/36/10/136303610.db2.gz HLTZMEFJIYXYGY-UHFFFAOYSA-N 1 0 238.375 3.552 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccco2)C1 ZINC000348832920 538003395 /nfs/dbraw/zinc/00/33/95/538003395.db2.gz KKPGURGBPYKLIA-BBRMVZONSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccco2)C1 ZINC000348832921 538001981 /nfs/dbraw/zinc/00/19/81/538001981.db2.gz KKPGURGBPYKLIA-CJNGLKHVSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccco2)C1 ZINC000348832922 538002713 /nfs/dbraw/zinc/00/27/13/538002713.db2.gz KKPGURGBPYKLIA-CZUORRHYSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccco2)C1 ZINC000348832923 538003634 /nfs/dbraw/zinc/00/36/34/538003634.db2.gz KKPGURGBPYKLIA-XJKSGUPXSA-N 1 0 241.334 3.863 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000348835309 535609035 /nfs/dbraw/zinc/60/90/35/535609035.db2.gz TWZNGXHLMLSPBF-AWEZNQCLSA-N 1 0 244.382 3.607 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000348835310 535326679 /nfs/dbraw/zinc/32/66/79/535326679.db2.gz TWZNGXHLMLSPBF-CQSZACIVSA-N 1 0 244.382 3.607 20 0 BHADRO c1cncc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000348895247 136303775 /nfs/dbraw/zinc/30/37/75/136303775.db2.gz RABXKGDGVSEYIG-GDBMZVCRSA-N 1 0 242.366 3.575 20 0 BHADRO c1cncc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000348895249 136303850 /nfs/dbraw/zinc/30/38/50/136303850.db2.gz RABXKGDGVSEYIG-GOEBONIOSA-N 1 0 242.366 3.575 20 0 BHADRO c1cncc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000348895251 136303950 /nfs/dbraw/zinc/30/39/50/136303950.db2.gz RABXKGDGVSEYIG-HOCLYGCPSA-N 1 0 242.366 3.575 20 0 BHADRO c1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000348895252 136303943 /nfs/dbraw/zinc/30/39/43/136303943.db2.gz RABXKGDGVSEYIG-ZBFHGGJFSA-N 1 0 242.366 3.575 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H]1CCCC[C@H]1C ZINC000348933307 136309689 /nfs/dbraw/zinc/30/96/89/136309689.db2.gz IHCMWNYZYQXFBE-GDBMZVCRSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H]1CCCC[C@@H]1C ZINC000348933308 136309484 /nfs/dbraw/zinc/30/94/84/136309484.db2.gz IHCMWNYZYQXFBE-GOEBONIOSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCCC[C@@H]1C ZINC000348933309 136309563 /nfs/dbraw/zinc/30/95/63/136309563.db2.gz IHCMWNYZYQXFBE-HOCLYGCPSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCCC[C@H]1C ZINC000348933310 136309272 /nfs/dbraw/zinc/30/92/72/136309272.db2.gz IHCMWNYZYQXFBE-ZBFHGGJFSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)CCC[NH+]1CCC(c2ccncc2)CC1 ZINC000348934449 136309634 /nfs/dbraw/zinc/30/96/34/136309634.db2.gz MZEKMWUFXTWPSP-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000348934836 535610688 /nfs/dbraw/zinc/61/06/88/535610688.db2.gz ODHZVJISJLLSMF-DZGCQCFKSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000348934845 535325230 /nfs/dbraw/zinc/32/52/30/535325230.db2.gz ODHZVJISJLLSMF-HIFRSBDPSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000348934847 535325728 /nfs/dbraw/zinc/32/57/28/535325728.db2.gz ODHZVJISJLLSMF-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000348934851 535609587 /nfs/dbraw/zinc/60/95/87/535609587.db2.gz ODHZVJISJLLSMF-ZFWWWQNUSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[N@H+](CCc1ccccn1)CC1(C)CCC1 ZINC000349034007 538067541 /nfs/dbraw/zinc/06/75/41/538067541.db2.gz BRXCQKQAYQMGJL-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC1(C)C([NH2+]C2CCC(C(F)F)CC2)C1(C)C ZINC000349157674 136328029 /nfs/dbraw/zinc/32/80/29/136328029.db2.gz ZHLPKZQBDWUVOK-UHFFFAOYSA-N 1 0 245.357 3.835 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000349198713 136331371 /nfs/dbraw/zinc/33/13/71/136331371.db2.gz BRJXQKWMAKIQFF-GUTXKFCHSA-N 1 0 247.382 3.558 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000349198715 136331482 /nfs/dbraw/zinc/33/14/82/136331482.db2.gz BRJXQKWMAKIQFF-GZBFAFLISA-N 1 0 247.382 3.558 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000349198716 136331409 /nfs/dbraw/zinc/33/14/09/136331409.db2.gz BRJXQKWMAKIQFF-NFAWXSAZSA-N 1 0 247.382 3.558 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000349198718 136331258 /nfs/dbraw/zinc/33/12/58/136331258.db2.gz BRJXQKWMAKIQFF-UMVBOHGHSA-N 1 0 247.382 3.558 20 0 BHADRO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCC(C)(C)C1 ZINC000349199947 136331442 /nfs/dbraw/zinc/33/14/42/136331442.db2.gz YUSRYMSDVHNGMA-GFCCVEGCSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCC(C)(C)C1 ZINC000349199949 136331336 /nfs/dbraw/zinc/33/13/36/136331336.db2.gz YUSRYMSDVHNGMA-LBPRGKRZSA-N 1 0 248.370 3.563 20 0 BHADRO CSCCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000349210799 136331887 /nfs/dbraw/zinc/33/18/87/136331887.db2.gz VEZARSCINZYHJX-GXTWGEPZSA-N 1 0 249.423 3.886 20 0 BHADRO CSCCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000349210805 136331826 /nfs/dbraw/zinc/33/18/26/136331826.db2.gz VEZARSCINZYHJX-JSGCOSHPSA-N 1 0 249.423 3.886 20 0 BHADRO CSCCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000349210807 136332172 /nfs/dbraw/zinc/33/21/72/136332172.db2.gz VEZARSCINZYHJX-OCCSQVGLSA-N 1 0 249.423 3.886 20 0 BHADRO CSCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000349210809 136331986 /nfs/dbraw/zinc/33/19/86/136331986.db2.gz VEZARSCINZYHJX-TZMCWYRMSA-N 1 0 249.423 3.886 20 0 BHADRO CC[C@H]([NH2+]CCC(O)(CC)CC)c1ccccc1 ZINC000349213273 535899085 /nfs/dbraw/zinc/89/90/85/535899085.db2.gz KEBHCOVZIGIDGV-HNNXBMFYSA-N 1 0 249.398 3.669 20 0 BHADRO CC[C@@H]([NH2+]CCC(O)(CC)CC)c1ccccc1 ZINC000349213281 535803318 /nfs/dbraw/zinc/80/33/18/535803318.db2.gz KEBHCOVZIGIDGV-OAHLLOKOSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H](C)C[N@H+](Cc1cccnc1)C(C)C ZINC000349234685 355372341 /nfs/dbraw/zinc/37/23/41/355372341.db2.gz AVMJFIWZSFJCIM-AWEZNQCLSA-N 1 0 234.387 3.728 20 0 BHADRO CCC[C@@H](C)C[N@H+](Cc1cccnc1)C(C)C ZINC000349234686 355371933 /nfs/dbraw/zinc/37/19/33/355371933.db2.gz AVMJFIWZSFJCIM-CQSZACIVSA-N 1 0 234.387 3.728 20 0 BHADRO CC(C)[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000349235340 355373147 /nfs/dbraw/zinc/37/31/47/355373147.db2.gz BZKLBUOJOFIEDQ-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1ccon1 ZINC000349246051 136332616 /nfs/dbraw/zinc/33/26/16/136332616.db2.gz SILYKBYLMDBVJD-LLVKDONJSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1ccon1 ZINC000349246052 136332777 /nfs/dbraw/zinc/33/27/77/136332777.db2.gz SILYKBYLMDBVJD-NSHDSACASA-N 1 0 236.359 3.542 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000349249314 136333259 /nfs/dbraw/zinc/33/32/59/136333259.db2.gz TZTORSQFHAWLSQ-GXTWGEPZSA-N 1 0 247.382 3.558 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000349249315 136333225 /nfs/dbraw/zinc/33/32/25/136333225.db2.gz TZTORSQFHAWLSQ-JSGCOSHPSA-N 1 0 247.382 3.558 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000349249316 136332968 /nfs/dbraw/zinc/33/29/68/136332968.db2.gz TZTORSQFHAWLSQ-OCCSQVGLSA-N 1 0 247.382 3.558 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000349249317 136333321 /nfs/dbraw/zinc/33/33/21/136333321.db2.gz TZTORSQFHAWLSQ-TZMCWYRMSA-N 1 0 247.382 3.558 20 0 BHADRO CC(C)CCC[N@H+](Cc1cccnc1)C(C)C ZINC000349272756 136333490 /nfs/dbraw/zinc/33/34/90/136333490.db2.gz DJDGTPYGFGRVOX-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO CC(C)[N@@H+](Cc1cccnc1)C[C@H]1CC=CCC1 ZINC000349275756 535108618 /nfs/dbraw/zinc/10/86/18/535108618.db2.gz IRBMGTXFJMBWKW-HNNXBMFYSA-N 1 0 244.382 3.648 20 0 BHADRO CC(C)[N@@H+](Cc1cccnc1)C[C@@H]1CC=CCC1 ZINC000349275757 535108315 /nfs/dbraw/zinc/10/83/15/535108315.db2.gz IRBMGTXFJMBWKW-OAHLLOKOSA-N 1 0 244.382 3.648 20 0 BHADRO CC[C@H]([NH2+]C1CC(OC(C)C)C1)c1ccccc1 ZINC000349345718 136342616 /nfs/dbraw/zinc/34/26/16/136342616.db2.gz VZCMDBHMRMZTDG-GPANFISMSA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@@H]([NH2+]C1CC(OC(C)C)C1)c1ccccc1 ZINC000349345719 136342899 /nfs/dbraw/zinc/34/28/99/136342899.db2.gz VZCMDBHMRMZTDG-UYSNPLJNSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CCC1 ZINC000349375493 136343896 /nfs/dbraw/zinc/34/38/96/136343896.db2.gz CEMMMYAKVMSELT-HNNXBMFYSA-N 1 0 229.367 3.823 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CCC1 ZINC000349375494 136343848 /nfs/dbraw/zinc/34/38/48/136343848.db2.gz CEMMMYAKVMSELT-OAHLLOKOSA-N 1 0 229.367 3.823 20 0 BHADRO CC(C)OC1CC([NH2+]C2CCC(C)(C)CC2)C1 ZINC000349378696 136343540 /nfs/dbraw/zinc/34/35/40/136343540.db2.gz MJDWYRADHOHVET-UHFFFAOYSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2CCC2)C2CCC2)o1 ZINC000349468671 136743744 /nfs/dbraw/zinc/74/37/44/136743744.db2.gz ZDIAKERBPFHHRQ-HNNXBMFYSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2CCC2)C2CCC2)o1 ZINC000349468672 355386523 /nfs/dbraw/zinc/38/65/23/355386523.db2.gz ZDIAKERBPFHHRQ-OAHLLOKOSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC(C)C2)C2CCC2)o1 ZINC000349491236 386850223 /nfs/dbraw/zinc/85/02/23/386850223.db2.gz CTOWWEAEWFYWOP-JHANDDDOSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC(C)C2)C2CCC2)o1 ZINC000349491237 386849763 /nfs/dbraw/zinc/84/97/63/386849763.db2.gz CTOWWEAEWFYWOP-KHXKVGHRSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCC2CC2)C2CCC2)o1 ZINC000349491817 537892263 /nfs/dbraw/zinc/89/22/63/537892263.db2.gz FMKPMBJPPQTPJC-HNNXBMFYSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCC2CC2)C2CCC2)o1 ZINC000349491818 537892046 /nfs/dbraw/zinc/89/20/46/537892046.db2.gz FMKPMBJPPQTPJC-OAHLLOKOSA-N 1 0 233.355 3.819 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccnc1 ZINC000349494311 386852329 /nfs/dbraw/zinc/85/23/29/386852329.db2.gz IYEVZWHQAUIZNQ-KBPBESRZSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccnc1 ZINC000349494312 386851632 /nfs/dbraw/zinc/85/16/32/386851632.db2.gz IYEVZWHQAUIZNQ-KGLIPLIRSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccnc1 ZINC000349494313 386852583 /nfs/dbraw/zinc/85/25/83/386852583.db2.gz IYEVZWHQAUIZNQ-UONOGXRCSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccnc1 ZINC000349494314 386853021 /nfs/dbraw/zinc/85/30/21/386853021.db2.gz IYEVZWHQAUIZNQ-ZIAGYGMSSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2(C)CC2)C2CCC2)o1 ZINC000349513279 386857683 /nfs/dbraw/zinc/85/76/83/386857683.db2.gz IVKZYSFOQAJANJ-AWEZNQCLSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2(C)CC2)C2CCC2)o1 ZINC000349513280 386857678 /nfs/dbraw/zinc/85/76/78/386857678.db2.gz IVKZYSFOQAJANJ-CQSZACIVSA-N 1 0 233.355 3.819 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2sccc2C)o1 ZINC000349518032 136352217 /nfs/dbraw/zinc/35/22/17/136352217.db2.gz AEBHRNHZFSLHTC-UHFFFAOYSA-N 1 0 249.379 3.844 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC(C)CC2)o1 ZINC000349519814 136352234 /nfs/dbraw/zinc/35/22/34/136352234.db2.gz FOOZSBGSKNUHOC-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO COc1ccccc1C[N@H+](C)C1CCC(C)CC1 ZINC000349541021 386858314 /nfs/dbraw/zinc/85/83/14/386858314.db2.gz AUJMWZOZXBWPEW-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C1CCC(C)CC1 ZINC000349542203 386860794 /nfs/dbraw/zinc/86/07/94/386860794.db2.gz LMSUNGSASNRUFH-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccsc1C[N@@H+](C)Cc1ccsc1 ZINC000349543488 386865687 /nfs/dbraw/zinc/86/56/87/386865687.db2.gz GOJHCYWIAIXLGV-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2C)o1 ZINC000349543560 386862661 /nfs/dbraw/zinc/86/26/61/386862661.db2.gz QOCSXDWOBRDEOM-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CC1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000349543714 386865820 /nfs/dbraw/zinc/86/58/20/386865820.db2.gz RXVJDNDOBTZZKX-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccoc2)c(C)c1 ZINC000349544319 386865010 /nfs/dbraw/zinc/86/50/10/386865010.db2.gz VUGGYCFRBLWGHU-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000349546081 386869525 /nfs/dbraw/zinc/86/95/25/386869525.db2.gz TXJDPKZEVGMHKP-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO CCc1ccc(C[N@@H+](CC)Cc2cccs2)o1 ZINC000349547042 386869763 /nfs/dbraw/zinc/86/97/63/386869763.db2.gz YCMMWTRRKXTSST-UHFFFAOYSA-N 1 0 249.379 3.926 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)nc1 ZINC000349560738 136352447 /nfs/dbraw/zinc/35/24/47/136352447.db2.gz CXENUFSDFOFKRV-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)nc1 ZINC000349560739 538096578 /nfs/dbraw/zinc/09/65/78/538096578.db2.gz CXENUFSDFOFKRV-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccsc2)ccc1F ZINC000349561871 488132823 /nfs/dbraw/zinc/13/28/23/488132823.db2.gz ITWASLQYBSZSIW-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1cccc(F)c1 ZINC000349563391 488133081 /nfs/dbraw/zinc/13/30/81/488133081.db2.gz OCKRLZODIAHELA-UHFFFAOYSA-N 1 0 247.313 3.749 20 0 BHADRO CC[N@H+](Cc1ccsc1)Cc1cccc(F)c1 ZINC000349565319 488133038 /nfs/dbraw/zinc/13/30/38/488133038.db2.gz VUCXBSKSEZJBSU-UHFFFAOYSA-N 1 0 249.354 3.909 20 0 BHADRO CC1CCC([N@H+](C)Cc2ccc(Cl)o2)CC1 ZINC000349578933 168159456 /nfs/dbraw/zinc/15/94/56/168159456.db2.gz TVWMROZXROTUJE-UHFFFAOYSA-N 1 0 241.762 3.944 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccoc2)o1 ZINC000349656275 386909933 /nfs/dbraw/zinc/90/99/33/386909933.db2.gz VVYPWWMGQHLFEI-BXUZGUMPSA-N 1 0 245.322 3.628 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccoc2)o1 ZINC000349656276 386909533 /nfs/dbraw/zinc/90/95/33/386909533.db2.gz VVYPWWMGQHLFEI-FZMZJTMJSA-N 1 0 245.322 3.628 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccoc2)o1 ZINC000349656277 386910511 /nfs/dbraw/zinc/91/05/11/386910511.db2.gz VVYPWWMGQHLFEI-RISCZKNCSA-N 1 0 245.322 3.628 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccoc2)o1 ZINC000349656279 386910024 /nfs/dbraw/zinc/91/00/24/386910024.db2.gz VVYPWWMGQHLFEI-SMDDNHRTSA-N 1 0 245.322 3.628 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cncs2)CC1 ZINC000349677886 355409338 /nfs/dbraw/zinc/40/93/38/355409338.db2.gz HEWSZRCZSMZKEF-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cscn2)CC1 ZINC000349679721 355409942 /nfs/dbraw/zinc/40/99/42/355409942.db2.gz NGCPRMAMIZSAFM-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC000349697128 355413125 /nfs/dbraw/zinc/41/31/25/355413125.db2.gz CIQSDUSKFGSEMK-AAEUAGOBSA-N 1 0 223.385 3.759 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC000349697129 355413232 /nfs/dbraw/zinc/41/32/32/355413232.db2.gz CIQSDUSKFGSEMK-DGCLKSJQSA-N 1 0 223.385 3.759 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC000349697130 355413329 /nfs/dbraw/zinc/41/33/29/355413329.db2.gz CIQSDUSKFGSEMK-WCQYABFASA-N 1 0 223.385 3.759 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC000349697131 355413589 /nfs/dbraw/zinc/41/35/89/355413589.db2.gz CIQSDUSKFGSEMK-YPMHNXCESA-N 1 0 223.385 3.759 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000349698856 355413350 /nfs/dbraw/zinc/41/33/50/355413350.db2.gz HNWREGAANZILQH-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO CCC1CCC([N@H+](C)Cc2nccs2)CC1 ZINC000349705763 355415906 /nfs/dbraw/zinc/41/59/06/355415906.db2.gz JDUGFLZXAFLKAO-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cccnc2C)CC1 ZINC000349707516 355416101 /nfs/dbraw/zinc/41/61/01/355416101.db2.gz ORENCRDUPGBJPX-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC1CCC([N@H+](C)Cc2ccco2)CC1 ZINC000349707768 355416085 /nfs/dbraw/zinc/41/60/85/355416085.db2.gz PYNFHJGLWGBGBS-UHFFFAOYSA-N 1 0 221.344 3.680 20 0 BHADRO CCC1CCC([N@H+](C)Cc2ccc(C)cn2)CC1 ZINC000349707791 355415752 /nfs/dbraw/zinc/41/57/52/355415752.db2.gz QKPPVJMPDVLUKY-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000349708196 355415955 /nfs/dbraw/zinc/41/59/55/355415955.db2.gz QOIKBBLPHGDVRK-AAEUAGOBSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000349708197 355415631 /nfs/dbraw/zinc/41/56/31/355415631.db2.gz QOIKBBLPHGDVRK-DGCLKSJQSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000349708198 355416069 /nfs/dbraw/zinc/41/60/69/355416069.db2.gz QOIKBBLPHGDVRK-WCQYABFASA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000349708199 355415918 /nfs/dbraw/zinc/41/59/18/355415918.db2.gz QOIKBBLPHGDVRK-YPMHNXCESA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)o1 ZINC000349710105 355415796 /nfs/dbraw/zinc/41/57/96/355415796.db2.gz UPZNZTPRHXYYGI-AAEUAGOBSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000349710107 355415693 /nfs/dbraw/zinc/41/56/93/355415693.db2.gz UPZNZTPRHXYYGI-DGCLKSJQSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000349710108 355415819 /nfs/dbraw/zinc/41/58/19/355415819.db2.gz UPZNZTPRHXYYGI-WCQYABFASA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000349710110 355415592 /nfs/dbraw/zinc/41/55/92/355415592.db2.gz UPZNZTPRHXYYGI-YPMHNXCESA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCC2)nc1 ZINC000349728370 355421138 /nfs/dbraw/zinc/42/11/38/355421138.db2.gz CMVLWZJZQRLBON-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC(C)c1ncc(C[N@H+](C)C2CCCC2)s1 ZINC000349747226 355422562 /nfs/dbraw/zinc/42/25/62/355422562.db2.gz JAEVKRHDPAJHCG-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO C[N@H+](Cc1cc2cc(F)ccc2o1)C1CCCC1 ZINC000349748547 355422617 /nfs/dbraw/zinc/42/26/17/355422617.db2.gz OCSPVBCONXZCIP-UHFFFAOYSA-N 1 0 247.313 3.946 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)o1 ZINC000349749308 355422458 /nfs/dbraw/zinc/42/24/58/355422458.db2.gz PZRCYMMLODNAEE-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)o1 ZINC000349749309 355421980 /nfs/dbraw/zinc/42/19/80/355421980.db2.gz PZRCYMMLODNAEE-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000349756925 355461311 /nfs/dbraw/zinc/46/13/11/355461311.db2.gz JDDNSJFJSDZLME-CYUUQNCZSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000349756926 133912050 /nfs/dbraw/zinc/91/20/50/133912050.db2.gz JDDNSJFJSDZLME-PMOUVXMZSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000349756927 355461226 /nfs/dbraw/zinc/46/12/26/355461226.db2.gz JDDNSJFJSDZLME-REBRKWNGSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000349756928 355461458 /nfs/dbraw/zinc/46/14/58/355461458.db2.gz JDDNSJFJSDZLME-UQOMUDLDSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CC2(C)C)C2CCC2)o1 ZINC000349759810 355427422 /nfs/dbraw/zinc/42/74/22/355427422.db2.gz RXPOQOAAABMOTF-KBPBESRZSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CC2(C)C)C2CCC2)o1 ZINC000349759811 355427555 /nfs/dbraw/zinc/42/75/55/355427555.db2.gz RXPOQOAAABMOTF-KGLIPLIRSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC2(C)C)C2CCC2)o1 ZINC000349759812 355427590 /nfs/dbraw/zinc/42/75/90/355427590.db2.gz RXPOQOAAABMOTF-UONOGXRCSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC2(C)C)C2CCC2)o1 ZINC000349759813 355427651 /nfs/dbraw/zinc/42/76/51/355427651.db2.gz RXPOQOAAABMOTF-ZIAGYGMSSA-N 1 0 233.355 3.817 20 0 BHADRO C[N@H+](Cc1coc2ccccc12)C1CCCC1 ZINC000349764292 355439116 /nfs/dbraw/zinc/43/91/16/355439116.db2.gz MJPPNJBXGNLVJC-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccoc1 ZINC000349765885 355441499 /nfs/dbraw/zinc/44/14/99/355441499.db2.gz VGHKIZJJYHDYKA-LLVKDONJSA-N 1 0 233.286 3.612 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccoc1 ZINC000349765886 355441457 /nfs/dbraw/zinc/44/14/57/355441457.db2.gz VGHKIZJJYHDYKA-NSHDSACASA-N 1 0 233.286 3.612 20 0 BHADRO CC[N@H+](Cc1cc2cc(F)ccc2o1)C(C)C ZINC000349792785 355463995 /nfs/dbraw/zinc/46/39/95/355463995.db2.gz ZXRXFVFAFZSPCW-UHFFFAOYSA-N 1 0 235.302 3.802 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1CC1 ZINC000349798107 355465206 /nfs/dbraw/zinc/46/52/06/355465206.db2.gz DJAYDFXKYJYERI-HNNXBMFYSA-N 1 0 229.367 3.680 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1CC1 ZINC000349798108 355465082 /nfs/dbraw/zinc/46/50/82/355465082.db2.gz DJAYDFXKYJYERI-OAHLLOKOSA-N 1 0 229.367 3.680 20 0 BHADRO CC[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000349799790 355464854 /nfs/dbraw/zinc/46/48/54/355464854.db2.gz AWXMWVLNTFHMLM-UHFFFAOYSA-N 1 0 233.286 3.537 20 0 BHADRO CC[N@H+](Cc1c(C)oc2ccccc21)C(C)C ZINC000349800486 355465286 /nfs/dbraw/zinc/46/52/86/355465286.db2.gz DVKDBMPNYDTCRB-UHFFFAOYSA-N 1 0 231.339 3.972 20 0 BHADRO CC(C)(CF)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000349801555 355464926 /nfs/dbraw/zinc/46/49/26/355464926.db2.gz MAIQSRHLZOMTRC-UHFFFAOYSA-N 1 0 249.251 3.543 20 0 BHADRO CC[N@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000349802642 355466233 /nfs/dbraw/zinc/46/62/33/355466233.db2.gz WMKSFNJDFUFSCR-UHFFFAOYSA-N 1 0 217.312 3.501 20 0 BHADRO CC(C)(CF)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000349811476 355468024 /nfs/dbraw/zinc/46/80/24/355468024.db2.gz GWMYXKKOYWEUTI-UHFFFAOYSA-N 1 0 249.251 3.543 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1Cl)C(C)C ZINC000349815406 355467629 /nfs/dbraw/zinc/46/76/29/355467629.db2.gz AVLYMZIXBLENFN-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CC(C)[NH+](CCSCCCCF)C(C)C ZINC000349817937 355469408 /nfs/dbraw/zinc/46/94/08/355469408.db2.gz DMIRELBWGONFCO-UHFFFAOYSA-N 1 0 235.412 3.588 20 0 BHADRO CC(C)[NH+](CCSCC[C@@H](C)F)C(C)C ZINC000349818947 355469496 /nfs/dbraw/zinc/46/94/96/355469496.db2.gz NHLLTMZYRPPKJY-GFCCVEGCSA-N 1 0 235.412 3.587 20 0 BHADRO CC(C)[NH+](CCSCC[C@H](C)F)C(C)C ZINC000349818948 355469198 /nfs/dbraw/zinc/46/91/98/355469198.db2.gz NHLLTMZYRPPKJY-LBPRGKRZSA-N 1 0 235.412 3.587 20 0 BHADRO CCc1ccc(C[N@H+](Cc2ccco2)C(C)C)o1 ZINC000349820571 355469558 /nfs/dbraw/zinc/46/95/58/355469558.db2.gz WMABMUCKKQFBLM-UHFFFAOYSA-N 1 0 247.338 3.846 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccon1 ZINC000349829136 355486993 /nfs/dbraw/zinc/48/69/93/355486993.db2.gz BVAYDIUTKJPRNH-GRYCIOLGSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccon1 ZINC000349829137 355486786 /nfs/dbraw/zinc/48/67/86/355486786.db2.gz BVAYDIUTKJPRNH-SDDRHHMPSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccon1 ZINC000349829138 355486611 /nfs/dbraw/zinc/48/66/11/355486611.db2.gz BVAYDIUTKJPRNH-SRVKXCTJSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccon1 ZINC000349829140 355486876 /nfs/dbraw/zinc/48/68/76/355486876.db2.gz BVAYDIUTKJPRNH-WOPDTQHZSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000349830268 355487940 /nfs/dbraw/zinc/48/79/40/355487940.db2.gz GJUZDNASRBYHTE-UHFFFAOYSA-N 1 0 247.313 3.829 20 0 BHADRO CC(C)[N@@H+](Cc1ccco1)C[C@H]1CC=CCC1 ZINC000349830523 355487765 /nfs/dbraw/zinc/48/77/65/355487765.db2.gz HOEFVBKMSPQTKF-AWEZNQCLSA-N 1 0 233.355 3.846 20 0 BHADRO CC(C)[N@@H+](Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000349830526 355487749 /nfs/dbraw/zinc/48/77/49/355487749.db2.gz HOEFVBKMSPQTKF-CQSZACIVSA-N 1 0 233.355 3.846 20 0 BHADRO CC(C)C[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000349830706 355487676 /nfs/dbraw/zinc/48/76/76/355487676.db2.gz IPOOTQUEIMKNIY-UHFFFAOYSA-N 1 0 240.416 3.528 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831829 355488085 /nfs/dbraw/zinc/48/80/85/355488085.db2.gz ILIIASNVJKNHDS-GRYCIOLGSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831831 355487914 /nfs/dbraw/zinc/48/79/14/355487914.db2.gz ILIIASNVJKNHDS-IJLUTSLNSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831832 355487873 /nfs/dbraw/zinc/48/78/73/355487873.db2.gz ILIIASNVJKNHDS-UTUOFQBUSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831834 355487625 /nfs/dbraw/zinc/48/76/25/355487625.db2.gz ILIIASNVJKNHDS-WOPDTQHZSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[N@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000349833247 355489196 /nfs/dbraw/zinc/48/91/96/355489196.db2.gz RYSKOAXBCDBTMZ-UHFFFAOYSA-N 1 0 247.313 3.829 20 0 BHADRO Cc1ccccc1C[N@@H+](Cc1ccco1)C(C)C ZINC000349834866 355489878 /nfs/dbraw/zinc/48/98/78/355489878.db2.gz ZORJRYGSYPQYTJ-UHFFFAOYSA-N 1 0 243.350 3.999 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H](C)c1ccon1 ZINC000349838077 355490732 /nfs/dbraw/zinc/49/07/32/355490732.db2.gz WWKBVIJMLGJYRW-NEPJUHHUSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CCCC1)c1ccon1 ZINC000349838078 355491131 /nfs/dbraw/zinc/49/11/31/355491131.db2.gz WWKBVIJMLGJYRW-NWDGAFQWSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@@H](C)c1ccon1 ZINC000349838079 355490867 /nfs/dbraw/zinc/49/08/67/355490867.db2.gz WWKBVIJMLGJYRW-RYUDHWBXSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H](C)c1ccon1 ZINC000349838080 355490790 /nfs/dbraw/zinc/49/07/90/355490790.db2.gz WWKBVIJMLGJYRW-VXGBXAGGSA-N 1 0 236.359 3.684 20 0 BHADRO Cc1cccc(C[N@@H+](Cc2ccco2)C(C)C)c1 ZINC000349841148 355491822 /nfs/dbraw/zinc/49/18/22/355491822.db2.gz UUHDITOFKYGWKI-UHFFFAOYSA-N 1 0 243.350 3.999 20 0 BHADRO COc1ccc2oc(C[N@H+](C)CC(C)C)cc2c1 ZINC000349852607 355483475 /nfs/dbraw/zinc/48/34/75/355483475.db2.gz DNSMXUDDOYGZED-UHFFFAOYSA-N 1 0 247.338 3.529 20 0 BHADRO CC(C)C[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000349854306 355496281 /nfs/dbraw/zinc/49/62/81/355496281.db2.gz NXANPWVXMNNRNU-UHFFFAOYSA-N 1 0 235.302 3.660 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H](C)c2ccon2)CC1 ZINC000349859993 133921936 /nfs/dbraw/zinc/92/19/36/133921936.db2.gz ZFMIEUJKOARBAT-DCBWTQNWSA-N 1 0 236.359 3.684 20 0 BHADRO CCC1(C)CCC([NH2+][C@H](C)c2ccon2)CC1 ZINC000349859994 355506265 /nfs/dbraw/zinc/50/62/65/355506265.db2.gz ZFMIEUJKOARBAT-LKSINWNRSA-N 1 0 236.359 3.684 20 0 BHADRO CC(C)C[N@H+](C)Cc1coc2ccccc12 ZINC000349862808 355512280 /nfs/dbraw/zinc/51/22/80/355512280.db2.gz ZNYSMMGWTGAYTL-UHFFFAOYSA-N 1 0 217.312 3.521 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+](C)CC(C)C ZINC000349870236 355512811 /nfs/dbraw/zinc/51/28/11/355512811.db2.gz AXSXOQSNJJLWNC-UHFFFAOYSA-N 1 0 231.339 3.829 20 0 BHADRO CCC[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000349871364 355513950 /nfs/dbraw/zinc/51/39/50/355513950.db2.gz FVGJPLAHWAWWGY-UHFFFAOYSA-N 1 0 217.312 3.583 20 0 BHADRO CO[C@@H](C)CC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000349908175 536871641 /nfs/dbraw/zinc/87/16/41/536871641.db2.gz URBQLYDJVWPNNA-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CO[C@@H](C)CC[NH2+]C[C@H](C)CC1CCCCC1 ZINC000349908176 355524162 /nfs/dbraw/zinc/52/41/62/355524162.db2.gz URBQLYDJVWPNNA-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CO[C@H](C)CC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000349908177 355523723 /nfs/dbraw/zinc/52/37/23/355523723.db2.gz URBQLYDJVWPNNA-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CO[C@H](C)CC[NH2+]C[C@H](C)CC1CCCCC1 ZINC000349908178 355523891 /nfs/dbraw/zinc/52/38/91/355523891.db2.gz URBQLYDJVWPNNA-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC2CC2)C2CC2)o1 ZINC000349921432 355527815 /nfs/dbraw/zinc/52/78/15/355527815.db2.gz RMSGLEOAKPHLAO-ABAIWWIYSA-N 1 0 245.366 3.777 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC2CC2)C2CC2)o1 ZINC000349921434 355527752 /nfs/dbraw/zinc/52/77/52/355527752.db2.gz RMSGLEOAKPHLAO-IAQYHMDHSA-N 1 0 245.366 3.777 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC2CC2)C2CC2)o1 ZINC000349921436 355527592 /nfs/dbraw/zinc/52/75/92/355527592.db2.gz RMSGLEOAKPHLAO-NHYWBVRUSA-N 1 0 245.366 3.777 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC2CC2)C2CC2)o1 ZINC000349921438 355527721 /nfs/dbraw/zinc/52/77/21/355527721.db2.gz RMSGLEOAKPHLAO-XHDPSFHLSA-N 1 0 245.366 3.777 20 0 BHADRO CC1CCC([N@H+](Cc2cccn2C)C2CC2)CC1 ZINC000349922549 355528532 /nfs/dbraw/zinc/52/85/32/355528532.db2.gz XTBJZOXMRGVSGY-UHFFFAOYSA-N 1 0 246.398 3.568 20 0 BHADRO CC1CCC([N@H+](Cc2ccn(C)c2)C2CC2)CC1 ZINC000349941554 355532830 /nfs/dbraw/zinc/53/28/30/355532830.db2.gz ARRGRMAZJCAZRS-UHFFFAOYSA-N 1 0 246.398 3.568 20 0 BHADRO CC(C)CC[N@H+](Cc1ccsc1)C1CC1 ZINC000349943679 358000955 /nfs/dbraw/zinc/00/09/55/358000955.db2.gz IXHJQWJAQOBXET-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO Cc1ccoc1C[N@@H+](CCC(C)C)C1CC1 ZINC000349944230 636539495 /nfs/dbraw/zinc/53/94/95/636539495.db2.gz KCYZQUXZPPPLLA-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO CC1CCC([N@H+](Cc2ccco2)C2CC2)CC1 ZINC000349945422 355533513 /nfs/dbraw/zinc/53/35/13/355533513.db2.gz OBRJZHSCHDMVEQ-UHFFFAOYSA-N 1 0 233.355 3.823 20 0 BHADRO Cc1ccncc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000349954078 355535293 /nfs/dbraw/zinc/53/52/93/355535293.db2.gz HFHMODCPDNIPQC-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cncc(C[NH+]2CCC(C(C)(C)C)CC2)c1 ZINC000349957053 355536590 /nfs/dbraw/zinc/53/65/90/355536590.db2.gz YHQNUNOHYVOHFV-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000350002048 355573612 /nfs/dbraw/zinc/57/36/12/355573612.db2.gz LLLRQLFCWDVWPU-HNNXBMFYSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000350002049 355573279 /nfs/dbraw/zinc/57/32/79/355573279.db2.gz LLLRQLFCWDVWPU-OAHLLOKOSA-N 1 0 241.334 3.707 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccsc1 ZINC000350015023 355575819 /nfs/dbraw/zinc/57/58/19/355575819.db2.gz KDLYJTWLQJYUSP-JTQLQIEISA-N 1 0 249.404 3.929 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccsc1 ZINC000350015024 355575993 /nfs/dbraw/zinc/57/59/93/355575993.db2.gz KDLYJTWLQJYUSP-SNVBAGLBSA-N 1 0 249.404 3.929 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccs1 ZINC000350019110 355577131 /nfs/dbraw/zinc/57/71/31/355577131.db2.gz UAZYGALVZHVXFJ-JTQLQIEISA-N 1 0 249.404 3.929 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccs1 ZINC000350019112 355576689 /nfs/dbraw/zinc/57/66/89/355576689.db2.gz UAZYGALVZHVXFJ-SNVBAGLBSA-N 1 0 249.404 3.929 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)o1 ZINC000350036682 136353127 /nfs/dbraw/zinc/35/31/27/136353127.db2.gz PMKBLWFQQICPGL-LLVKDONJSA-N 1 0 247.363 3.769 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)o1 ZINC000350036683 136353246 /nfs/dbraw/zinc/35/32/46/136353246.db2.gz PMKBLWFQQICPGL-NSHDSACASA-N 1 0 247.363 3.769 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000350051605 136353626 /nfs/dbraw/zinc/35/36/26/136353626.db2.gz HDWROZCNSPIWRF-LLVKDONJSA-N 1 0 247.363 3.769 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000350051606 136353504 /nfs/dbraw/zinc/35/35/04/136353504.db2.gz HDWROZCNSPIWRF-NSHDSACASA-N 1 0 247.363 3.769 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000350052923 136353635 /nfs/dbraw/zinc/35/36/35/136353635.db2.gz LIFDVTHNMFYFSS-UHFFFAOYSA-N 1 0 247.313 3.613 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)c(F)c2)o1 ZINC000350052926 136353363 /nfs/dbraw/zinc/35/33/63/136353363.db2.gz LJJWCSREZGVBGE-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2C)o1 ZINC000350073398 136354325 /nfs/dbraw/zinc/35/43/25/136354325.db2.gz JRHNQWGGGQQWNI-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000350079928 355581071 /nfs/dbraw/zinc/58/10/71/355581071.db2.gz WKIJWVRNQAYQFG-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1sccc1C[N@@H+](C)Cc1ccccc1 ZINC000350096733 355594869 /nfs/dbraw/zinc/59/48/69/355594869.db2.gz DVLIALQLGREGCI-UHFFFAOYSA-N 1 0 231.364 3.689 20 0 BHADRO Cc1sccc1C[N@@H+]1CCc2ccccc2C1 ZINC000350101042 355600759 /nfs/dbraw/zinc/60/07/59/355600759.db2.gz VHHIYVBSBVNTKK-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CSc1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000350101474 355600660 /nfs/dbraw/zinc/60/06/60/355600660.db2.gz WVUHRRFUAUELRZ-UHFFFAOYSA-N 1 0 247.363 3.634 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000350122145 355607866 /nfs/dbraw/zinc/60/78/66/355607866.db2.gz LJDPXLFXOBHXGA-AWEZNQCLSA-N 1 0 246.379 3.722 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000350122152 355608279 /nfs/dbraw/zinc/60/82/79/355608279.db2.gz LJDPXLFXOBHXGA-CQSZACIVSA-N 1 0 246.379 3.722 20 0 BHADRO CCC[N@@H+](Cc1ccsc1C)CC1CC1 ZINC000350123206 355607822 /nfs/dbraw/zinc/60/78/22/355607822.db2.gz OGHSKJYAJVIHDL-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1sccc1C[N@@H+](C)C1CCCCC1 ZINC000350145855 355615517 /nfs/dbraw/zinc/61/55/17/355615517.db2.gz IYGKTLHXEGAREB-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO Cc1sccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000350145895 133941639 /nfs/dbraw/zinc/94/16/39/133941639.db2.gz JRVKRVPEMQOODU-GHMZBOCLSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000350145896 355615616 /nfs/dbraw/zinc/61/56/16/355615616.db2.gz JRVKRVPEMQOODU-PHIMTYICSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000350145897 355615585 /nfs/dbraw/zinc/61/55/85/355615585.db2.gz JRVKRVPEMQOODU-QWRGUYRKSA-N 1 0 223.385 3.534 20 0 BHADRO CCC[NH+](CCC)Cc1ccsc1C ZINC000350146707 355615413 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/nfs/dbraw/zinc/97/69/66/355976966.db2.gz UTWSHOMIDLAETH-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1sccc1C[NH+]1Cc2ccccc2C1 ZINC000351477402 136245930 /nfs/dbraw/zinc/24/59/30/136245930.db2.gz QSOOCMXHIALEGH-UHFFFAOYSA-N 1 0 229.348 3.572 20 0 BHADRO CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1c(C)noc1C ZINC000351492343 356001733 /nfs/dbraw/zinc/00/17/33/356001733.db2.gz JDJYHGWPZBCRNI-CYBMUJFWSA-N 1 0 248.370 3.665 20 0 BHADRO CC[C@H]([NH2+]C1CC2(CCC2)C1)c1c(C)noc1C ZINC000351492344 356001845 /nfs/dbraw/zinc/00/18/45/356001845.db2.gz JDJYHGWPZBCRNI-ZDUSSCGKSA-N 1 0 248.370 3.665 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccsc1C ZINC000351499845 535355452 /nfs/dbraw/zinc/35/54/52/535355452.db2.gz CVUWJXIBGCTGOE-UHFFFAOYSA-N 1 0 211.374 3.677 20 0 BHADRO c1ccc(C2(C[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000351520821 133972998 /nfs/dbraw/zinc/97/29/98/133972998.db2.gz YPQQTNVRKVPHDL-UHFFFAOYSA-N 1 0 241.378 3.641 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000351580943 535411043 /nfs/dbraw/zinc/41/10/43/535411043.db2.gz MOFUKQYOKBTOQR-GFCCVEGCSA-N 1 0 238.400 3.606 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000351580944 136369245 /nfs/dbraw/zinc/36/92/45/136369245.db2.gz MOFUKQYOKBTOQR-LBPRGKRZSA-N 1 0 238.400 3.606 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cccnc2C)CC1 ZINC000351584754 356021335 /nfs/dbraw/zinc/02/13/35/356021335.db2.gz WOWFWRMTCKVWDA-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1nocc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000351590039 356024537 /nfs/dbraw/zinc/02/45/37/356024537.db2.gz PTNNEXKLEUBRLM-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1sccc1C[N@H+]1CCCCC[C@H]1C ZINC000351590096 356024516 /nfs/dbraw/zinc/02/45/16/356024516.db2.gz QNRDUCZLGNVIBR-LLVKDONJSA-N 1 0 223.385 3.821 20 0 BHADRO Cc1sccc1C[N@H+]1CCCCC[C@@H]1C ZINC000351590097 356024573 /nfs/dbraw/zinc/02/45/73/356024573.db2.gz QNRDUCZLGNVIBR-NSHDSACASA-N 1 0 223.385 3.821 20 0 BHADRO CCC[N@@H+](Cc1ccsc1)CC(C)C ZINC000351599625 136247670 /nfs/dbraw/zinc/24/76/70/136247670.db2.gz BMNVIJIWKCZODO-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CCC[N@@H+](Cc1cnc(CC)s1)CC(C)C ZINC000351604259 136369876 /nfs/dbraw/zinc/36/98/76/136369876.db2.gz SRYAHFRCVPUIDG-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Cc1ncccc1C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000351605106 136369679 /nfs/dbraw/zinc/36/96/79/136369679.db2.gz NDINBGVMVWUJPS-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCC[N@@H+](Cc1csc(CC)n1)CC(C)C ZINC000351605392 136369721 /nfs/dbraw/zinc/36/97/21/136369721.db2.gz ZJZCPOZUCLUNTR-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Cc1sccc1C[N@@H+]1CCc2ccsc2C1 ZINC000351608605 136370107 /nfs/dbraw/zinc/37/01/07/136370107.db2.gz PVRNHCAUWBMXER-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO Cc1ncccc1C[NH+]1CCC(C)(C(C)C)CC1 ZINC000351612377 356028346 /nfs/dbraw/zinc/02/83/46/356028346.db2.gz WFBHFNLFKHJQJZ-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1sccc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000351619121 136248014 /nfs/dbraw/zinc/24/80/14/136248014.db2.gz FTBWFKJGWQSPBC-JTQLQIEISA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000351619122 136248268 /nfs/dbraw/zinc/24/82/68/136248268.db2.gz FTBWFKJGWQSPBC-SNVBAGLBSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cc(Cl)cc(C[N@@H+](C)C2CCC2)c1 ZINC000351620840 136248087 /nfs/dbraw/zinc/24/80/87/136248087.db2.gz SDXKQPVCTBUKIR-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000351620871 136248277 /nfs/dbraw/zinc/24/82/77/136248277.db2.gz SMDKHSSJJLAGJN-GHMZBOCLSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000351620872 136247858 /nfs/dbraw/zinc/24/78/58/136247858.db2.gz SMDKHSSJJLAGJN-MNOVXSKESA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000351620873 136248053 /nfs/dbraw/zinc/24/80/53/136248053.db2.gz SMDKHSSJJLAGJN-QWRGUYRKSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000351620874 136247846 /nfs/dbraw/zinc/24/78/46/136247846.db2.gz SMDKHSSJJLAGJN-WDEREUQCSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[NH+](CC1CC1)CC1CC1 ZINC000351621509 136247908 /nfs/dbraw/zinc/24/79/08/136247908.db2.gz ZCFHKRUTSVMIRJ-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO CSCC[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000351621942 136248727 /nfs/dbraw/zinc/24/87/27/136248727.db2.gz AOXRNLLDHQRCIX-UHFFFAOYSA-N 1 0 249.423 3.749 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000351625443 136248836 /nfs/dbraw/zinc/24/88/36/136248836.db2.gz YSMGVBIRKWXKFU-GHMZBOCLSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000351625444 136248786 /nfs/dbraw/zinc/24/87/86/136248786.db2.gz YSMGVBIRKWXKFU-MNOVXSKESA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000351625445 136248928 /nfs/dbraw/zinc/24/89/28/136248928.db2.gz YSMGVBIRKWXKFU-QWRGUYRKSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000351625446 136248658 /nfs/dbraw/zinc/24/86/58/136248658.db2.gz YSMGVBIRKWXKFU-WDEREUQCSA-N 1 0 223.385 3.677 20 0 BHADRO CC[N@H+](CCc1ccncc1)[C@@H]1CCCC[C@H]1C ZINC000351627561 136248674 /nfs/dbraw/zinc/24/86/74/136248674.db2.gz GSMFNQYNLPEZEM-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccncc1)[C@@H]1CCCC[C@@H]1C ZINC000351627562 136248722 /nfs/dbraw/zinc/24/87/22/136248722.db2.gz GSMFNQYNLPEZEM-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccncc1)[C@H]1CCCC[C@@H]1C ZINC000351627563 136248606 /nfs/dbraw/zinc/24/86/06/136248606.db2.gz GSMFNQYNLPEZEM-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccncc1)[C@H]1CCCC[C@H]1C ZINC000351627564 136248663 /nfs/dbraw/zinc/24/86/63/136248663.db2.gz GSMFNQYNLPEZEM-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CSCC[C@H](C)[N@H+](C)Cc1ccsc1C ZINC000351641847 356041120 /nfs/dbraw/zinc/04/11/20/356041120.db2.gz RKPALRRYJMCTPW-JTQLQIEISA-N 1 0 243.441 3.630 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)Cc1ccsc1C ZINC000351641848 356040819 /nfs/dbraw/zinc/04/08/19/356040819.db2.gz RKPALRRYJMCTPW-SNVBAGLBSA-N 1 0 243.441 3.630 20 0 BHADRO Cc1sccc1C[N@@H+](C(C)C)C1CCC1 ZINC000351643869 356042426 /nfs/dbraw/zinc/04/24/26/356042426.db2.gz JPPFXDKUBGHTHH-UHFFFAOYSA-N 1 0 223.385 3.819 20 0 BHADRO CC[N@H+](CCc1cccs1)Cc1occc1C ZINC000351645873 356043380 /nfs/dbraw/zinc/04/33/80/356043380.db2.gz YLWLKVCXUMHEED-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000351651767 136249167 /nfs/dbraw/zinc/24/91/67/136249167.db2.gz RITIHLXBAGBCCC-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CC[N@H+](CCc1cccs1)Cc1ccc(C)o1 ZINC000351657643 356046708 /nfs/dbraw/zinc/04/67/08/356046708.db2.gz CEBRDLYGWNADGR-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2ccsc2C)C1 ZINC000351685056 356057164 /nfs/dbraw/zinc/05/71/64/356057164.db2.gz AWRSXLDOHQWSOW-CYBMUJFWSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccsc2C)C1 ZINC000351685057 356057397 /nfs/dbraw/zinc/05/73/97/356057397.db2.gz AWRSXLDOHQWSOW-ZDUSSCGKSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1n[nH]cc1C[N@@H+](CCC(C)C)C1CCCC1 ZINC000351697654 356061461 /nfs/dbraw/zinc/06/14/61/356061461.db2.gz YFNSFQWDAPFXOL-UHFFFAOYSA-N 1 0 249.402 3.509 20 0 BHADRO C[C@@H](F)CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000351720529 356070217 /nfs/dbraw/zinc/07/02/17/356070217.db2.gz POPFCKDIWMZPBV-GHMZBOCLSA-N 1 0 225.307 3.553 20 0 BHADRO C[C@@H](F)CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000351720530 356070543 /nfs/dbraw/zinc/07/05/43/356070543.db2.gz POPFCKDIWMZPBV-MNOVXSKESA-N 1 0 225.307 3.553 20 0 BHADRO C[C@H](F)CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000351720531 356070625 /nfs/dbraw/zinc/07/06/25/356070625.db2.gz POPFCKDIWMZPBV-QWRGUYRKSA-N 1 0 225.307 3.553 20 0 BHADRO C[C@H](c1ccco1)[N@@H+](CC[C@H](C)F)C1CC1 ZINC000351720532 356070597 /nfs/dbraw/zinc/07/05/97/356070597.db2.gz POPFCKDIWMZPBV-WDEREUQCSA-N 1 0 225.307 3.553 20 0 BHADRO CCC(CC)[N@@H+](Cc1conc1C)CC(C)C ZINC000351721488 356071173 /nfs/dbraw/zinc/07/11/73/356071173.db2.gz SIGQAGBXCAVDPF-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO C[N@H+](CCCCF)Cc1ccc(Cl)c(F)c1 ZINC000351729080 536334762 /nfs/dbraw/zinc/33/47/62/536334762.db2.gz CPNNXVWQDKMZKE-UHFFFAOYSA-N 1 0 247.716 3.661 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000351730489 136250312 /nfs/dbraw/zinc/25/03/12/136250312.db2.gz OXWFETKHCLWUMY-SECBINFHSA-N 1 0 247.716 3.659 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000351730490 136250325 /nfs/dbraw/zinc/25/03/25/136250325.db2.gz OXWFETKHCLWUMY-VIFPVBQESA-N 1 0 247.716 3.659 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cc(F)c(F)c(F)c1 ZINC000351736848 356075465 /nfs/dbraw/zinc/07/54/65/356075465.db2.gz RXIGCRJKBHDUCW-MRVPVSSYSA-N 1 0 249.251 3.504 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cc(F)c(F)c(F)c1 ZINC000351736850 356075270 /nfs/dbraw/zinc/07/52/70/356075270.db2.gz RXIGCRJKBHDUCW-QMMMGPOBSA-N 1 0 249.251 3.504 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCCF)c1ccccn1 ZINC000351739351 356076677 /nfs/dbraw/zinc/07/66/77/356076677.db2.gz ZZDWVUQZRWJCOC-AWEZNQCLSA-N 1 0 238.350 3.508 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCCF)c1ccccn1 ZINC000351739352 356076273 /nfs/dbraw/zinc/07/62/73/356076273.db2.gz ZZDWVUQZRWJCOC-CQSZACIVSA-N 1 0 238.350 3.508 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000351772867 356083687 /nfs/dbraw/zinc/08/36/87/356083687.db2.gz AALWPBINFZSLFX-LLVKDONJSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000351772868 356083791 /nfs/dbraw/zinc/08/37/91/356083791.db2.gz AALWPBINFZSLFX-NSHDSACASA-N 1 0 223.385 3.677 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000351794717 136370430 /nfs/dbraw/zinc/37/04/30/136370430.db2.gz FYZKOPSESKQXBQ-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000351794719 136370443 /nfs/dbraw/zinc/37/04/43/136370443.db2.gz FYZKOPSESKQXBQ-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1conc1C ZINC000351808720 356088651 /nfs/dbraw/zinc/08/86/51/356088651.db2.gz KJXSRZLVVKOBJL-AWEZNQCLSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1conc1C ZINC000351808722 535122790 /nfs/dbraw/zinc/12/27/90/535122790.db2.gz KJXSRZLVVKOBJL-CQSZACIVSA-N 1 0 236.359 3.528 20 0 BHADRO CCC1(CC)CC[NH+](CCCCF)CC1 ZINC000351818257 136255794 /nfs/dbraw/zinc/25/57/94/136255794.db2.gz YPLCOGKNIOYIGX-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@@H](C)Cc1ccsc1 ZINC000351819865 356090042 /nfs/dbraw/zinc/09/00/42/356090042.db2.gz MFMWQLVGZSRYMX-NEPJUHHUSA-N 1 0 243.391 3.749 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@H](C)Cc1ccsc1 ZINC000351819866 356089653 /nfs/dbraw/zinc/08/96/53/356089653.db2.gz MFMWQLVGZSRYMX-NWDGAFQWSA-N 1 0 243.391 3.749 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@@H](C)Cc1ccsc1 ZINC000351819867 133986054 /nfs/dbraw/zinc/98/60/54/133986054.db2.gz MFMWQLVGZSRYMX-RYUDHWBXSA-N 1 0 243.391 3.749 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@H](C)Cc1ccsc1 ZINC000351819868 356089286 /nfs/dbraw/zinc/08/92/86/356089286.db2.gz MFMWQLVGZSRYMX-VXGBXAGGSA-N 1 0 243.391 3.749 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1ccccc1C ZINC000351842850 356096219 /nfs/dbraw/zinc/09/62/19/356096219.db2.gz AFNDFSMJHXIUAY-CYBMUJFWSA-N 1 0 223.335 3.565 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1ccccc1C ZINC000351842851 356095958 /nfs/dbraw/zinc/09/59/58/356095958.db2.gz AFNDFSMJHXIUAY-ZDUSSCGKSA-N 1 0 223.335 3.565 20 0 BHADRO Cc1ccccc1C[N@@H+](CC[C@@H](C)F)C1CC1 ZINC000351843228 133986464 /nfs/dbraw/zinc/98/64/64/133986464.db2.gz CSLINGZCCFIDOR-CYBMUJFWSA-N 1 0 235.346 3.708 20 0 BHADRO Cc1ccccc1C[N@@H+](CC[C@H](C)F)C1CC1 ZINC000351843229 356095704 /nfs/dbraw/zinc/09/57/04/356095704.db2.gz CSLINGZCCFIDOR-ZDUSSCGKSA-N 1 0 235.346 3.708 20 0 BHADRO CC1CCC([N@H+](CCCCF)C2CC2)CC1 ZINC000351843378 356096262 /nfs/dbraw/zinc/09/62/62/356096262.db2.gz DSNUCKGVXBPPAX-UHFFFAOYSA-N 1 0 227.367 3.779 20 0 BHADRO CC[N@H+](CCCCF)Cc1ccccc1C ZINC000351843407 356095733 /nfs/dbraw/zinc/09/57/33/356095733.db2.gz DYWKNLSNVNSRBG-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO CC(C)[N@H+](CC[C@@H](C)F)Cc1cccs1 ZINC000351843611 535074414 /nfs/dbraw/zinc/07/44/14/535074414.db2.gz GWMDNTJFXGYMTP-LLVKDONJSA-N 1 0 229.364 3.707 20 0 BHADRO CC(C)[N@H+](CC[C@H](C)F)Cc1cccs1 ZINC000351843613 535073745 /nfs/dbraw/zinc/07/37/45/535073745.db2.gz GWMDNTJFXGYMTP-NSHDSACASA-N 1 0 229.364 3.707 20 0 BHADRO CC(C)[N@H+](CC[C@@H](C)F)Cc1ccccc1F ZINC000351844521 535073825 /nfs/dbraw/zinc/07/38/25/535073825.db2.gz LTARGMPACYPIKT-GFCCVEGCSA-N 1 0 241.325 3.784 20 0 BHADRO CC(C)[N@H+](CC[C@H](C)F)Cc1ccccc1F ZINC000351844522 535074424 /nfs/dbraw/zinc/07/44/24/535074424.db2.gz LTARGMPACYPIKT-LBPRGKRZSA-N 1 0 241.325 3.784 20 0 BHADRO CC(C)[N@H+](CCCCF)Cc1ccccc1F ZINC000351844685 535052319 /nfs/dbraw/zinc/05/23/19/535052319.db2.gz MVPRHXVEPTUBSV-UHFFFAOYSA-N 1 0 241.325 3.786 20 0 BHADRO Cc1ccccc1C[N@H+](CCCCF)C1CC1 ZINC000351845295 136257324 /nfs/dbraw/zinc/25/73/24/136257324.db2.gz RYJGWBZQKAQLGB-UHFFFAOYSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000351845308 136257010 /nfs/dbraw/zinc/25/70/10/136257010.db2.gz SDNBCSLVOHGGDB-BXUZGUMPSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000351845309 136257400 /nfs/dbraw/zinc/25/74/00/136257400.db2.gz SDNBCSLVOHGGDB-FZMZJTMJSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000351845310 136257203 /nfs/dbraw/zinc/25/72/03/136257203.db2.gz SDNBCSLVOHGGDB-RISCZKNCSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000351845311 136257341 /nfs/dbraw/zinc/25/73/41/136257341.db2.gz SDNBCSLVOHGGDB-SMDDNHRTSA-N 1 0 239.309 3.711 20 0 BHADRO CC(C)[N@H+](CCCCF)Cc1cccs1 ZINC000351845527 535053148 /nfs/dbraw/zinc/05/31/48/535053148.db2.gz SSEIHVPFRBDFPA-UHFFFAOYSA-N 1 0 229.364 3.708 20 0 BHADRO C[C@H](F)CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000351845529 136257104 /nfs/dbraw/zinc/25/71/04/136257104.db2.gz SUSUUUUGDMINRW-CPCZMJQVSA-N 1 0 227.367 3.778 20 0 BHADRO C[C@@H](F)CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000351845530 136256991 /nfs/dbraw/zinc/25/69/91/136256991.db2.gz SUSUUUUGDMINRW-OTTFEQOBSA-N 1 0 227.367 3.778 20 0 BHADRO C[N@H+](CCCCF)Cc1cccc(Cl)c1 ZINC000351852708 536334379 /nfs/dbraw/zinc/33/43/79/536334379.db2.gz KYQSJQRMAGIJOJ-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000351854509 136257987 /nfs/dbraw/zinc/25/79/87/136257987.db2.gz GVWPAQJUBRGDRT-CMPLNLGQSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000351854511 136257952 /nfs/dbraw/zinc/25/79/52/136257952.db2.gz GVWPAQJUBRGDRT-JQWIXIFHSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000351854512 136258193 /nfs/dbraw/zinc/25/81/93/136258193.db2.gz GVWPAQJUBRGDRT-PWSUYJOCSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000351854514 136258235 /nfs/dbraw/zinc/25/82/35/136258235.db2.gz GVWPAQJUBRGDRT-ZYHUDNBSSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000351854548 136258424 /nfs/dbraw/zinc/25/84/24/136258424.db2.gz DYUFKKSXUDYMON-NXEZZACHSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000351854554 136258197 /nfs/dbraw/zinc/25/81/97/136258197.db2.gz DYUFKKSXUDYMON-UWVGGRQHSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@H](C)F ZINC000351854555 136258287 /nfs/dbraw/zinc/25/82/87/136258287.db2.gz DYUFKKSXUDYMON-VHSXEESVSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000351854556 136258360 /nfs/dbraw/zinc/25/83/60/136258360.db2.gz DYUFKKSXUDYMON-ZJUUUORDSA-N 1 0 245.288 3.706 20 0 BHADRO CC(C)[N@H+](CCCCF)Cc1ccccc1 ZINC000351860363 356097803 /nfs/dbraw/zinc/09/78/03/356097803.db2.gz PYMPDFHJCKLOOW-UHFFFAOYSA-N 1 0 223.335 3.647 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000351860749 356098159 /nfs/dbraw/zinc/09/81/59/356098159.db2.gz YOYDJOSELRSVPU-JTQLQIEISA-N 1 0 229.726 3.520 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000351860750 356098184 /nfs/dbraw/zinc/09/81/84/356098184.db2.gz YOYDJOSELRSVPU-SNVBAGLBSA-N 1 0 229.726 3.520 20 0 BHADRO C[C@@H](F)CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000351861625 356099261 /nfs/dbraw/zinc/09/92/61/356099261.db2.gz NBEADYKMEUBSFJ-GFCCVEGCSA-N 1 0 239.334 3.772 20 0 BHADRO C[C@H](F)CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000351861626 356099491 /nfs/dbraw/zinc/09/94/91/356099491.db2.gz NBEADYKMEUBSFJ-LBPRGKRZSA-N 1 0 239.334 3.772 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000351862966 356100915 /nfs/dbraw/zinc/10/09/15/356100915.db2.gz PULSMDOTZSTPIJ-GHMZBOCLSA-N 1 0 227.298 3.567 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000351862967 356100582 /nfs/dbraw/zinc/10/05/82/356100582.db2.gz PULSMDOTZSTPIJ-MNOVXSKESA-N 1 0 227.298 3.567 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000351862968 356100925 /nfs/dbraw/zinc/10/09/25/356100925.db2.gz PULSMDOTZSTPIJ-QWRGUYRKSA-N 1 0 227.298 3.567 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+](C)CC[C@H](C)F ZINC000351862969 356100424 /nfs/dbraw/zinc/10/04/24/356100424.db2.gz PULSMDOTZSTPIJ-WDEREUQCSA-N 1 0 227.298 3.567 20 0 BHADRO CC(C)[N@H+](CC[C@@H](C)F)Cc1ccccc1 ZINC000351864561 356100223 /nfs/dbraw/zinc/10/02/23/356100223.db2.gz YMGBVFCUUVJVPR-CYBMUJFWSA-N 1 0 223.335 3.645 20 0 BHADRO CC(C)[N@H+](CC[C@H](C)F)Cc1ccccc1 ZINC000351864562 356100244 /nfs/dbraw/zinc/10/02/44/356100244.db2.gz YMGBVFCUUVJVPR-ZDUSSCGKSA-N 1 0 223.335 3.645 20 0 BHADRO C[C@H](F)CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000351867220 356102837 /nfs/dbraw/zinc/10/28/37/356102837.db2.gz CFKXGUUKYNYEBC-BLLLJJGKSA-N 1 0 247.357 3.886 20 0 BHADRO C[C@H](F)CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000351867221 356102827 /nfs/dbraw/zinc/10/28/27/356102827.db2.gz CFKXGUUKYNYEBC-LRDDRELGSA-N 1 0 247.357 3.886 20 0 BHADRO C[C@@H](F)CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000351867222 356102818 /nfs/dbraw/zinc/10/28/18/356102818.db2.gz CFKXGUUKYNYEBC-MLGOLLRUSA-N 1 0 247.357 3.886 20 0 BHADRO C[C@@H](F)CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000351867223 356102787 /nfs/dbraw/zinc/10/27/87/356102787.db2.gz CFKXGUUKYNYEBC-WBMJQRKESA-N 1 0 247.357 3.886 20 0 BHADRO FCCCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000351869355 136259175 /nfs/dbraw/zinc/25/91/75/136259175.db2.gz HUHROBZPSNCMMR-INIZCTEOSA-N 1 0 247.357 3.888 20 0 BHADRO FCCCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000351869356 136259077 /nfs/dbraw/zinc/25/90/77/136259077.db2.gz HUHROBZPSNCMMR-MRXNPFEDSA-N 1 0 247.357 3.888 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCCCF ZINC000351870407 534955743 /nfs/dbraw/zinc/95/57/43/534955743.db2.gz MJNKIJLKUCATBP-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCCF ZINC000351870408 534924927 /nfs/dbraw/zinc/92/49/27/534924927.db2.gz MJNKIJLKUCATBP-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO C[N@H+](CCCCF)C1CCC(C)(C)CC1 ZINC000351871276 136260413 /nfs/dbraw/zinc/26/04/13/136260413.db2.gz SABWWTSLZWAVFQ-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H](F)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000351871583 386797762 /nfs/dbraw/zinc/79/77/62/386797762.db2.gz UOSWITCMXOGMQA-LLVKDONJSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@H](F)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000351871584 386797864 /nfs/dbraw/zinc/79/78/64/386797864.db2.gz UOSWITCMXOGMQA-NSHDSACASA-N 1 0 215.356 3.635 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@@H](C)c1cccc(O)c1 ZINC000351872235 356105648 /nfs/dbraw/zinc/10/56/48/356105648.db2.gz DBGXBSAXMHUOBY-NEPJUHHUSA-N 1 0 239.334 3.523 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@H](C)c1cccc(O)c1 ZINC000351872236 356105627 /nfs/dbraw/zinc/10/56/27/356105627.db2.gz DBGXBSAXMHUOBY-NWDGAFQWSA-N 1 0 239.334 3.523 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@@H](C)c1cccc(O)c1 ZINC000351872237 356106092 /nfs/dbraw/zinc/10/60/92/356106092.db2.gz DBGXBSAXMHUOBY-RYUDHWBXSA-N 1 0 239.334 3.523 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@H](C)c1cccc(O)c1 ZINC000351872238 133988143 /nfs/dbraw/zinc/98/81/43/133988143.db2.gz DBGXBSAXMHUOBY-VXGBXAGGSA-N 1 0 239.334 3.523 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000351874887 136261364 /nfs/dbraw/zinc/26/13/64/136261364.db2.gz ATIQSXFMCSBYDZ-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1F ZINC000351874901 136261361 /nfs/dbraw/zinc/26/13/61/136261361.db2.gz BDNAWDABYFIYFD-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Clc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000351876750 136261715 /nfs/dbraw/zinc/26/17/15/136261715.db2.gz FSUWWWGTVYRBCI-UHFFFAOYSA-N 1 0 235.758 3.716 20 0 BHADRO COCc1cccc(C[N@H+](CC(C)C)C(C)C)c1 ZINC000351878018 136261851 /nfs/dbraw/zinc/26/18/51/136261851.db2.gz QTXNKUHKLASRCW-UHFFFAOYSA-N 1 0 249.398 3.699 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CC3)C2)cc2c1CCC2 ZINC000351878827 136261889 /nfs/dbraw/zinc/26/18/89/136261889.db2.gz HNFINZRTUNSWTQ-UHFFFAOYSA-N 1 0 241.378 3.551 20 0 BHADRO COc1ccsc1C[N@H+](CC(C)C)C(C)C ZINC000351885919 356139466 /nfs/dbraw/zinc/13/94/66/356139466.db2.gz ARCWZMHFOMSGMB-UHFFFAOYSA-N 1 0 241.400 3.623 20 0 BHADRO CCc1ncc(C[N@H+](CC(C)C)C(C)C)s1 ZINC000351887392 356146943 /nfs/dbraw/zinc/14/69/43/356146943.db2.gz FUKPTTIVZKSJAI-UHFFFAOYSA-N 1 0 240.416 3.572 20 0 BHADRO CC(C)[N@H+](CC[C@@H](C)F)Cc1cccc(F)c1 ZINC000351887446 356146473 /nfs/dbraw/zinc/14/64/73/356146473.db2.gz BQEGFLJRTWADCE-GFCCVEGCSA-N 1 0 241.325 3.784 20 0 BHADRO CC(C)[N@H+](CC[C@H](C)F)Cc1cccc(F)c1 ZINC000351887448 356146894 /nfs/dbraw/zinc/14/68/94/356146894.db2.gz BQEGFLJRTWADCE-LBPRGKRZSA-N 1 0 241.325 3.784 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000351891013 356155564 /nfs/dbraw/zinc/15/55/64/356155564.db2.gz LKOBZSBVQDERFR-CVEARBPZSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000351891015 356155877 /nfs/dbraw/zinc/15/58/77/356155877.db2.gz LKOBZSBVQDERFR-HOTGVXAUSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000351891017 356155691 /nfs/dbraw/zinc/15/56/91/356155691.db2.gz LKOBZSBVQDERFR-HZPDHXFCSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000351891019 356155683 /nfs/dbraw/zinc/15/56/83/356155683.db2.gz LKOBZSBVQDERFR-JKSUJKDBSA-N 1 0 241.378 3.666 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1C ZINC000351891392 356156497 /nfs/dbraw/zinc/15/64/97/356156497.db2.gz MAJHGMVXCWJCKE-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000351892237 356158841 /nfs/dbraw/zinc/15/88/41/356158841.db2.gz MQOWCSYVWBOINS-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1C ZINC000351895520 356164491 /nfs/dbraw/zinc/16/44/91/356164491.db2.gz SXQLRJBSCIFJLU-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)c(C)c1 ZINC000351896155 356165498 /nfs/dbraw/zinc/16/54/98/356165498.db2.gz VWAUGZWNZGXZFN-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000351896716 356166760 /nfs/dbraw/zinc/16/67/60/356166760.db2.gz FFHKWPQLATWLMH-JTQLQIEISA-N 1 0 229.726 3.520 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000351896717 356166594 /nfs/dbraw/zinc/16/65/94/356166594.db2.gz FFHKWPQLATWLMH-SNVBAGLBSA-N 1 0 229.726 3.520 20 0 BHADRO CC(C)[N@H+](CCCCF)Cc1cccc(F)c1 ZINC000351901641 356173199 /nfs/dbraw/zinc/17/31/99/356173199.db2.gz HPDLMXZJIOACTM-UHFFFAOYSA-N 1 0 241.325 3.786 20 0 BHADRO C[N@H+](CCCCF)Cc1ccc(Cl)cc1 ZINC000351905356 356179896 /nfs/dbraw/zinc/17/98/96/356179896.db2.gz JVLHNMVCZVSGAU-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO FCCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000351905368 356179856 /nfs/dbraw/zinc/17/98/56/356179856.db2.gz JXVASEIZXPMCFX-UHFFFAOYSA-N 1 0 239.309 3.540 20 0 BHADRO CC(C)[N@H+](CCCCF)Cc1ccc(F)cc1 ZINC000351908999 356183542 /nfs/dbraw/zinc/18/35/42/356183542.db2.gz NUELYYYKIISHAS-UHFFFAOYSA-N 1 0 241.325 3.786 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCCCF ZINC000351914231 356198156 /nfs/dbraw/zinc/19/81/56/356198156.db2.gz VZKMOOZWQGMNAN-JTQLQIEISA-N 1 0 245.288 3.707 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@H+](C)CCCCF ZINC000351914232 356198590 /nfs/dbraw/zinc/19/85/90/356198590.db2.gz VZKMOOZWQGMNAN-SNVBAGLBSA-N 1 0 245.288 3.707 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000351915634 356205218 /nfs/dbraw/zinc/20/52/18/356205218.db2.gz PUFOKTAVFLCTET-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000351932063 134012436 /nfs/dbraw/zinc/01/24/36/134012436.db2.gz PKWQKGGQHUMNIM-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C(C)(C)CF ZINC000351932523 134014153 /nfs/dbraw/zinc/01/41/53/134014153.db2.gz UBSIOLHMJSXIKK-UHFFFAOYSA-N 1 0 235.302 3.579 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1F ZINC000351940721 134014675 /nfs/dbraw/zinc/01/46/75/134014675.db2.gz HWNLIXIDHRNFQJ-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Clc1ccccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000351940811 134014891 /nfs/dbraw/zinc/01/48/91/134014891.db2.gz IWIIXBDLQYXYLN-UHFFFAOYSA-N 1 0 235.758 3.716 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000351940923 134014805 /nfs/dbraw/zinc/01/48/05/134014805.db2.gz KNZKPEXNKCCYLV-GXTWGEPZSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000351940924 134014632 /nfs/dbraw/zinc/01/46/32/134014632.db2.gz KNZKPEXNKCCYLV-JSGCOSHPSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000351940925 134014844 /nfs/dbraw/zinc/01/48/44/134014844.db2.gz KNZKPEXNKCCYLV-OCCSQVGLSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000351940926 134014545 /nfs/dbraw/zinc/01/45/45/134014545.db2.gz KNZKPEXNKCCYLV-TZMCWYRMSA-N 1 0 245.366 3.779 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CCCC2(CC2)C1 ZINC000351941300 134014997 /nfs/dbraw/zinc/01/49/97/134014997.db2.gz PDZNKKSHXRXESI-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CCCC2(CC2)C1 ZINC000351941478 134024863 /nfs/dbraw/zinc/02/48/63/134024863.db2.gz RIQZDLMEZVBXGW-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CC3)C2)c(C)s1 ZINC000351941653 134025112 /nfs/dbraw/zinc/02/51/12/134025112.db2.gz USUIMAZEHCPVGN-UHFFFAOYSA-N 1 0 235.396 3.741 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000351941984 134024999 /nfs/dbraw/zinc/02/49/99/134024999.db2.gz ZFYWXJWFJBKUMI-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO CSc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000351946635 134015622 /nfs/dbraw/zinc/01/56/22/134015622.db2.gz GFIBIGYEKJEWNU-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000351947036 134015083 /nfs/dbraw/zinc/01/50/83/134015083.db2.gz LOBFKAFMCHIQPH-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CC(C)(CF)[NH2+]Cc1ccccc1C(F)(F)F ZINC000351948174 134015818 /nfs/dbraw/zinc/01/58/18/134015818.db2.gz YXSRMRRDYODMMA-UHFFFAOYSA-N 1 0 249.251 3.543 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000351963296 134024390 /nfs/dbraw/zinc/02/43/90/134024390.db2.gz CNOFGANDXOHMIK-JTQLQIEISA-N 1 0 227.735 3.555 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000351963297 134024670 /nfs/dbraw/zinc/02/46/70/134024670.db2.gz CNOFGANDXOHMIK-SNVBAGLBSA-N 1 0 227.735 3.555 20 0 BHADRO C[N@H+](CCCCc1ccccc1)Cc1ccoc1 ZINC000351971895 536341789 /nfs/dbraw/zinc/34/17/89/536341789.db2.gz GVCDTQKQVWTLCQ-UHFFFAOYSA-N 1 0 243.350 3.734 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCCF ZINC000351987562 134025890 /nfs/dbraw/zinc/02/58/90/134025890.db2.gz WQYLNNNNMYVZNP-HNNXBMFYSA-N 1 0 235.346 3.573 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCCF ZINC000351987563 134026135 /nfs/dbraw/zinc/02/61/35/134026135.db2.gz WQYLNNNNMYVZNP-OAHLLOKOSA-N 1 0 235.346 3.573 20 0 BHADRO CCSc1cccc(C[N@H+](CC)C2CC2)c1 ZINC000351987810 134026521 /nfs/dbraw/zinc/02/65/21/134026521.db2.gz AVVIVKNXOMTOOJ-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CC[N@H+](Cc1ncc(Cl)s1)[C@H](C)C(C)C ZINC000351988949 535392507 /nfs/dbraw/zinc/39/25/07/535392507.db2.gz NXHZRKPDHRPZPO-SECBINFHSA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1ncc(Cl)s1)[C@@H](C)C(C)C ZINC000351988950 535392701 /nfs/dbraw/zinc/39/27/01/535392701.db2.gz NXHZRKPDHRPZPO-VIFPVBQESA-N 1 0 246.807 3.663 20 0 BHADRO CCCCN(Cc1ncc(Cl)s1)C1CC1 ZINC000351989601 134026851 /nfs/dbraw/zinc/02/68/51/134026851.db2.gz VHBOOGHVZJMJRP-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ncc(Cl)s1 ZINC000351993521 535511434 /nfs/dbraw/zinc/51/14/34/535511434.db2.gz AUKAPZWEALXOSA-SECBINFHSA-N 1 0 246.807 3.665 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ncc(Cl)s1 ZINC000351993522 134032819 /nfs/dbraw/zinc/03/28/19/134032819.db2.gz AUKAPZWEALXOSA-VIFPVBQESA-N 1 0 246.807 3.665 20 0 BHADRO CCSc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000351996456 134033087 /nfs/dbraw/zinc/03/30/87/134033087.db2.gz PBIAQIIUFLHXOQ-GFCCVEGCSA-N 1 0 235.396 3.783 20 0 BHADRO CCSc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000351996457 134033259 /nfs/dbraw/zinc/03/32/59/134033259.db2.gz PBIAQIIUFLHXOQ-LBPRGKRZSA-N 1 0 235.396 3.783 20 0 BHADRO CCSc1cccc(C[NH+](CC)CC)c1 ZINC000351997200 134033215 /nfs/dbraw/zinc/03/32/15/134033215.db2.gz RXHUGKCHFZMNDO-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO CCSc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000352001998 134025160 /nfs/dbraw/zinc/02/51/60/134025160.db2.gz JDDIQTTXSPFRBY-GFCCVEGCSA-N 1 0 235.396 3.640 20 0 BHADRO CCSc1cccc(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000352001999 134024947 /nfs/dbraw/zinc/02/49/47/134024947.db2.gz JDDIQTTXSPFRBY-LBPRGKRZSA-N 1 0 235.396 3.640 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@@H](c2ccco2)C1 ZINC000352002643 134034066 /nfs/dbraw/zinc/03/40/66/134034066.db2.gz HZEQZHJERGGSSM-CHWSQXEVSA-N 1 0 239.334 3.802 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@H](c2ccco2)C1 ZINC000352002644 134033575 /nfs/dbraw/zinc/03/35/75/134033575.db2.gz HZEQZHJERGGSSM-OLZOCXBDSA-N 1 0 239.334 3.802 20 0 BHADRO C[C@H]1CC[N@H+](CCCCF)[C@@H](c2ccco2)C1 ZINC000352002645 134033835 /nfs/dbraw/zinc/03/38/35/134033835.db2.gz HZEQZHJERGGSSM-QWHCGFSZSA-N 1 0 239.334 3.802 20 0 BHADRO C[C@H]1CC[N@H+](CCCCF)[C@H](c2ccco2)C1 ZINC000352002646 134034073 /nfs/dbraw/zinc/03/40/73/134034073.db2.gz HZEQZHJERGGSSM-STQMWFEESA-N 1 0 239.334 3.802 20 0 BHADRO CCSc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000352002788 134033598 /nfs/dbraw/zinc/03/35/98/134033598.db2.gz NVRWOMPZUHFFLS-UHFFFAOYSA-N 1 0 247.407 3.927 20 0 BHADRO CCSc1cccc(C[N@H+](C)CC2CC2)c1 ZINC000352003099 134033976 /nfs/dbraw/zinc/03/39/76/134033976.db2.gz OSOHIEBWOAPVEA-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CCC[N@H+](C)Cc1cccc(SCC)c1 ZINC000352003996 134034354 /nfs/dbraw/zinc/03/43/54/134034354.db2.gz UQQCGKFPFJMEQR-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000352004194 134034499 /nfs/dbraw/zinc/03/44/99/134034499.db2.gz OPZYTJIWHRNFAC-AGIUHOORSA-N 1 0 239.334 3.801 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000352004195 134034613 /nfs/dbraw/zinc/03/46/13/134034613.db2.gz OPZYTJIWHRNFAC-AVGNSLFASA-N 1 0 239.334 3.801 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000352004196 134034311 /nfs/dbraw/zinc/03/43/11/134034311.db2.gz OPZYTJIWHRNFAC-FRRDWIJNSA-N 1 0 239.334 3.801 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000352004197 134034814 /nfs/dbraw/zinc/03/48/14/134034814.db2.gz OPZYTJIWHRNFAC-RWMBFGLXSA-N 1 0 239.334 3.801 20 0 BHADRO CCC[N@@H+](Cc1ncc(Cl)s1)CC(C)C ZINC000352011082 134035522 /nfs/dbraw/zinc/03/55/22/134035522.db2.gz OGXPAAZEXRJEKV-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H](C)F)s1 ZINC000352014498 134035759 /nfs/dbraw/zinc/03/57/59/134035759.db2.gz NIGHCOSDTMLESD-PSASIEDQSA-N 1 0 244.379 3.501 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H](C)F)s1 ZINC000352014503 134035796 /nfs/dbraw/zinc/03/57/96/134035796.db2.gz NIGHCOSDTMLESD-SCZZXKLOSA-N 1 0 244.379 3.501 20 0 BHADRO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H](C)F)s1 ZINC000352014505 134035938 /nfs/dbraw/zinc/03/59/38/134035938.db2.gz NIGHCOSDTMLESD-WCBMZHEXSA-N 1 0 244.379 3.501 20 0 BHADRO Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H](C)F)s1 ZINC000352014506 134036157 /nfs/dbraw/zinc/03/61/57/134036157.db2.gz NIGHCOSDTMLESD-WPRPVWTQSA-N 1 0 244.379 3.501 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CCCCF)s1 ZINC000352015210 134035852 /nfs/dbraw/zinc/03/58/52/134035852.db2.gz PNNUQDDEPOGAJS-GFCCVEGCSA-N 1 0 241.375 3.943 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCCF)s1 ZINC000352015213 134035736 /nfs/dbraw/zinc/03/57/36/134035736.db2.gz PNNUQDDEPOGAJS-LBPRGKRZSA-N 1 0 241.375 3.943 20 0 BHADRO FCCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000352015726 134036991 /nfs/dbraw/zinc/03/69/91/134036991.db2.gz RQOICBIGUCJTGW-CYBMUJFWSA-N 1 0 239.334 3.946 20 0 BHADRO FCCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000352015727 134036479 /nfs/dbraw/zinc/03/64/79/134036479.db2.gz RQOICBIGUCJTGW-ZDUSSCGKSA-N 1 0 239.334 3.946 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1cc2ccccc2o1 ZINC000352015881 134036661 /nfs/dbraw/zinc/03/66/61/134036661.db2.gz SRVFTDPSCNMVJF-LLVKDONJSA-N 1 0 235.302 3.613 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1cc2ccccc2o1 ZINC000352015882 134036303 /nfs/dbraw/zinc/03/63/03/134036303.db2.gz SRVFTDPSCNMVJF-NSHDSACASA-N 1 0 235.302 3.613 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC[C@H](C)F)s1 ZINC000352016740 134036733 /nfs/dbraw/zinc/03/67/33/134036733.db2.gz ZKTMBTNVVYRMKU-CMPLNLGQSA-N 1 0 241.375 3.942 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H](C)F)s1 ZINC000352016741 134036924 /nfs/dbraw/zinc/03/69/24/134036924.db2.gz ZKTMBTNVVYRMKU-JQWIXIFHSA-N 1 0 241.375 3.942 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H](C)F)s1 ZINC000352016742 134036635 /nfs/dbraw/zinc/03/66/35/134036635.db2.gz ZKTMBTNVVYRMKU-PWSUYJOCSA-N 1 0 241.375 3.942 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H](C)F)s1 ZINC000352016743 134036334 /nfs/dbraw/zinc/03/63/34/134036334.db2.gz ZKTMBTNVVYRMKU-ZYHUDNBSSA-N 1 0 241.375 3.942 20 0 BHADRO C[N@H+](CCCCF)Cc1ccc(F)cc1Cl ZINC000352024256 536334846 /nfs/dbraw/zinc/33/48/46/536334846.db2.gz FGWKQNMLEUXHOE-UHFFFAOYSA-N 1 0 247.716 3.661 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000352024797 134041891 /nfs/dbraw/zinc/04/18/91/134041891.db2.gz IYKTUMUFFBBXEJ-AWEZNQCLSA-N 1 0 225.351 3.558 20 0 BHADRO FCCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000352024798 134041851 /nfs/dbraw/zinc/04/18/51/134041851.db2.gz IYKTUMUFFBBXEJ-CQSZACIVSA-N 1 0 225.351 3.558 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000352024850 387008986 /nfs/dbraw/zinc/00/89/86/387008986.db2.gz JPHOYEICEJKTBZ-KBPBESRZSA-N 1 0 225.351 3.557 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000352024851 387009029 /nfs/dbraw/zinc/00/90/29/387009029.db2.gz JPHOYEICEJKTBZ-KGLIPLIRSA-N 1 0 225.351 3.557 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000352024852 387009153 /nfs/dbraw/zinc/00/91/53/387009153.db2.gz JPHOYEICEJKTBZ-UONOGXRCSA-N 1 0 225.351 3.557 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000352024853 387008969 /nfs/dbraw/zinc/00/89/69/387008969.db2.gz JPHOYEICEJKTBZ-ZIAGYGMSSA-N 1 0 225.351 3.557 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000352030496 134044562 /nfs/dbraw/zinc/04/45/62/134044562.db2.gz WJWZESWRBWCMMT-SECBINFHSA-N 1 0 247.716 3.659 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000352030497 134045119 /nfs/dbraw/zinc/04/51/19/134045119.db2.gz WJWZESWRBWCMMT-VIFPVBQESA-N 1 0 247.716 3.659 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000352043841 134045470 /nfs/dbraw/zinc/04/54/70/134045470.db2.gz GPFZFKLBQOZVBD-NEPJUHHUSA-N 1 0 225.307 3.555 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000352043842 134045332 /nfs/dbraw/zinc/04/53/32/134045332.db2.gz GPFZFKLBQOZVBD-NWDGAFQWSA-N 1 0 225.307 3.555 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000352043843 134045785 /nfs/dbraw/zinc/04/57/85/134045785.db2.gz GPFZFKLBQOZVBD-RYUDHWBXSA-N 1 0 225.307 3.555 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000352043844 134045692 /nfs/dbraw/zinc/04/56/92/134045692.db2.gz GPFZFKLBQOZVBD-VXGBXAGGSA-N 1 0 225.307 3.555 20 0 BHADRO CCc1ccc([C@@H]2CCC[N@@H+]2CC[C@H](C)F)o1 ZINC000352063163 134054423 /nfs/dbraw/zinc/05/44/23/134054423.db2.gz MJCIINRYJMBDFK-AAEUAGOBSA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H](C)F)o1 ZINC000352063165 134054448 /nfs/dbraw/zinc/05/44/48/134054448.db2.gz MJCIINRYJMBDFK-DGCLKSJQSA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@H]2CCC[N@@H+]2CC[C@H](C)F)o1 ZINC000352063167 134054564 /nfs/dbraw/zinc/05/45/64/134054564.db2.gz MJCIINRYJMBDFK-WCQYABFASA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H](C)F)o1 ZINC000352063168 134054321 /nfs/dbraw/zinc/05/43/21/134054321.db2.gz MJCIINRYJMBDFK-YPMHNXCESA-N 1 0 239.334 3.727 20 0 BHADRO Cc1[nH+]ccc(N(C)[C@@H](C)C(C)C)c1Cl ZINC000352067652 134054915 /nfs/dbraw/zinc/05/49/15/134054915.db2.gz DWPLYRFJTIUZKF-JTQLQIEISA-N 1 0 226.751 3.524 20 0 BHADRO Cc1[nH+]ccc(N(C)[C@H](C)C(C)C)c1Cl ZINC000352067655 134054884 /nfs/dbraw/zinc/05/48/84/134054884.db2.gz DWPLYRFJTIUZKF-SNVBAGLBSA-N 1 0 226.751 3.524 20 0 BHADRO Cc1[nH+]ccc(N2CCC[C@@H]2C(C)C)c1Cl ZINC000352078457 134057753 /nfs/dbraw/zinc/05/77/53/134057753.db2.gz YIZJGQCJZSMWFU-LLVKDONJSA-N 1 0 238.762 3.668 20 0 BHADRO Cc1[nH+]ccc(N2CCC[C@H]2C(C)C)c1Cl ZINC000352078458 134057855 /nfs/dbraw/zinc/05/78/55/134057855.db2.gz YIZJGQCJZSMWFU-NSHDSACASA-N 1 0 238.762 3.668 20 0 BHADRO Cc1[nH+]ccc(N2CCC[C@H](C)CC2)c1Cl ZINC000352081668 134060863 /nfs/dbraw/zinc/06/08/63/134060863.db2.gz GMXMTAKFYJLIQU-JTQLQIEISA-N 1 0 238.762 3.670 20 0 BHADRO Cc1[nH+]ccc(N2CCC[C@@H](C)CC2)c1Cl ZINC000352081669 134061214 /nfs/dbraw/zinc/06/12/14/134061214.db2.gz GMXMTAKFYJLIQU-SNVBAGLBSA-N 1 0 238.762 3.670 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000352097013 134063544 /nfs/dbraw/zinc/06/35/44/134063544.db2.gz MHNBFNXWMQAXKO-GHMZBOCLSA-N 1 0 227.298 3.567 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000352097014 134063499 /nfs/dbraw/zinc/06/34/99/134063499.db2.gz MHNBFNXWMQAXKO-MNOVXSKESA-N 1 0 227.298 3.567 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000352097015 134063695 /nfs/dbraw/zinc/06/36/95/134063695.db2.gz MHNBFNXWMQAXKO-QWRGUYRKSA-N 1 0 227.298 3.567 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H](C)F ZINC000352097017 134063388 /nfs/dbraw/zinc/06/33/88/134063388.db2.gz MHNBFNXWMQAXKO-WDEREUQCSA-N 1 0 227.298 3.567 20 0 BHADRO CCC[N@H+](CCCCF)Cc1ccccc1 ZINC000352097661 134064183 /nfs/dbraw/zinc/06/41/83/134064183.db2.gz VDUCDGHYDYXMDR-UHFFFAOYSA-N 1 0 223.335 3.648 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccccc1Cl ZINC000352101549 134067453 /nfs/dbraw/zinc/06/74/53/134067453.db2.gz AMBDUZDHYNWILI-JTQLQIEISA-N 1 0 229.726 3.520 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccccc1Cl ZINC000352101550 134067563 /nfs/dbraw/zinc/06/75/63/134067563.db2.gz AMBDUZDHYNWILI-SNVBAGLBSA-N 1 0 229.726 3.520 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000352101839 134067954 /nfs/dbraw/zinc/06/79/54/134067954.db2.gz FSBSALADLIKCNJ-GHMZBOCLSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000352101840 134068108 /nfs/dbraw/zinc/06/81/08/134068108.db2.gz FSBSALADLIKCNJ-MNOVXSKESA-N 1 0 227.348 3.633 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000352101841 134068242 /nfs/dbraw/zinc/06/82/42/134068242.db2.gz FSBSALADLIKCNJ-QWRGUYRKSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000352101842 134067840 /nfs/dbraw/zinc/06/78/40/134067840.db2.gz FSBSALADLIKCNJ-WDEREUQCSA-N 1 0 227.348 3.633 20 0 BHADRO C[C@@H](F)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000352101917 134068102 /nfs/dbraw/zinc/06/81/02/134068102.db2.gz HDLHABZEYXPIDX-LLVKDONJSA-N 1 0 239.309 3.538 20 0 BHADRO C[C@H](F)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000352101918 134068263 /nfs/dbraw/zinc/06/82/63/134068263.db2.gz HDLHABZEYXPIDX-NSHDSACASA-N 1 0 239.309 3.538 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000352102344 134067806 /nfs/dbraw/zinc/06/78/06/134067806.db2.gz MBLINIMTWSMUQV-BXUZGUMPSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000352102345 134068245 /nfs/dbraw/zinc/06/82/45/134068245.db2.gz MBLINIMTWSMUQV-FZMZJTMJSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000352102346 134068233 /nfs/dbraw/zinc/06/82/33/134068233.db2.gz MBLINIMTWSMUQV-RISCZKNCSA-N 1 0 239.309 3.711 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000352102347 134067920 /nfs/dbraw/zinc/06/79/20/134067920.db2.gz MBLINIMTWSMUQV-SMDDNHRTSA-N 1 0 239.309 3.711 20 0 BHADRO C[N@H+](CCCCF)Cc1ccccc1Cl ZINC000352102903 536334613 /nfs/dbraw/zinc/33/46/13/536334613.db2.gz UVLRKWMCWYKULK-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO C[C@@H](F)CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000352102915 134067823 /nfs/dbraw/zinc/06/78/23/134067823.db2.gz VCRFBNGZBYOFGV-LLVKDONJSA-N 1 0 239.309 3.538 20 0 BHADRO C[C@H](F)CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000352102916 134067897 /nfs/dbraw/zinc/06/78/97/134067897.db2.gz VCRFBNGZBYOFGV-NSHDSACASA-N 1 0 239.309 3.538 20 0 BHADRO FCCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000352103095 134068164 /nfs/dbraw/zinc/06/81/64/134068164.db2.gz YGSNESJHHCMPAA-UHFFFAOYSA-N 1 0 239.309 3.540 20 0 BHADRO FCCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000352103229 134067880 /nfs/dbraw/zinc/06/78/80/134067880.db2.gz YWEQBXGNWVSCOI-UHFFFAOYSA-N 1 0 239.309 3.540 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000352113765 134068411 /nfs/dbraw/zinc/06/84/11/134068411.db2.gz NLDUEDNQZJKBCB-GXTWGEPZSA-N 1 0 221.319 3.572 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000352113766 134068439 /nfs/dbraw/zinc/06/84/39/134068439.db2.gz NLDUEDNQZJKBCB-JSGCOSHPSA-N 1 0 221.319 3.572 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000352113767 134068573 /nfs/dbraw/zinc/06/85/73/134068573.db2.gz NLDUEDNQZJKBCB-OCCSQVGLSA-N 1 0 221.319 3.572 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000352113768 134068499 /nfs/dbraw/zinc/06/84/99/134068499.db2.gz NLDUEDNQZJKBCB-TZMCWYRMSA-N 1 0 221.319 3.572 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000352113969 134068502 /nfs/dbraw/zinc/06/85/02/134068502.db2.gz QORUWTFNSUBPNN-NXEZZACHSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000352113970 134068381 /nfs/dbraw/zinc/06/83/81/134068381.db2.gz QORUWTFNSUBPNN-UWVGGRQHSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H](C)F ZINC000352113971 134068673 /nfs/dbraw/zinc/06/86/73/134068673.db2.gz QORUWTFNSUBPNN-VHSXEESVSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000352113972 134068441 /nfs/dbraw/zinc/06/84/41/134068441.db2.gz QORUWTFNSUBPNN-ZJUUUORDSA-N 1 0 245.288 3.706 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000352114392 134068377 /nfs/dbraw/zinc/06/83/77/134068377.db2.gz XSINHZIXZIKBNZ-MRVPVSSYSA-N 1 0 235.755 3.581 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000352114393 134068680 /nfs/dbraw/zinc/06/86/80/134068680.db2.gz XSINHZIXZIKBNZ-QMMMGPOBSA-N 1 0 235.755 3.581 20 0 BHADRO CC[N@H+](CCCCF)Cc1c(F)cccc1F ZINC000352123182 134074809 /nfs/dbraw/zinc/07/48/09/134074809.db2.gz LBLYLLQYEVASSN-UHFFFAOYSA-N 1 0 245.288 3.536 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CCCCF)C1 ZINC000352123697 134074785 /nfs/dbraw/zinc/07/47/85/134074785.db2.gz PYLDPUZIHNUKCY-AWEZNQCLSA-N 1 0 235.346 3.534 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352123698 134074789 /nfs/dbraw/zinc/07/47/89/134074789.db2.gz PYLDPUZIHNUKCY-CQSZACIVSA-N 1 0 235.346 3.534 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352124476 134074734 /nfs/dbraw/zinc/07/47/34/134074734.db2.gz ZMACNDSMIBFHEB-KBPBESRZSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352124477 134074914 /nfs/dbraw/zinc/07/49/14/134074914.db2.gz ZMACNDSMIBFHEB-KGLIPLIRSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352124478 134075089 /nfs/dbraw/zinc/07/50/89/134075089.db2.gz ZMACNDSMIBFHEB-UONOGXRCSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352124479 134075022 /nfs/dbraw/zinc/07/50/22/134075022.db2.gz ZMACNDSMIBFHEB-ZIAGYGMSSA-N 1 0 235.346 3.532 20 0 BHADRO C[C@H](c1cccnc1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000352174385 177044995 /nfs/dbraw/zinc/04/49/95/177044995.db2.gz AVZQOUNCYLRAIY-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000352174386 176028898 /nfs/dbraw/zinc/02/88/98/176028898.db2.gz AVZQOUNCYLRAIY-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000352176185 177043771 /nfs/dbraw/zinc/04/37/71/177043771.db2.gz LRSIKGGUEFMDNO-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000352176186 176027683 /nfs/dbraw/zinc/02/76/83/176027683.db2.gz LRSIKGGUEFMDNO-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)SCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352176999 136263532 /nfs/dbraw/zinc/26/35/32/136263532.db2.gz WYTXRVOGWWSCPT-UHFFFAOYSA-N 1 0 241.444 3.640 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCC(C)C)cn1 ZINC000352242895 134118309 /nfs/dbraw/zinc/11/83/09/134118309.db2.gz TVOCZWBEXFOILJ-CYBMUJFWSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCC(C)C)cn1 ZINC000352242896 134118117 /nfs/dbraw/zinc/11/81/17/134118117.db2.gz TVOCZWBEXFOILJ-ZDUSSCGKSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2cccs2)cn1 ZINC000352242977 134118673 /nfs/dbraw/zinc/11/86/73/134118673.db2.gz VAPYRJVRZXBRNX-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2cccs2)cn1 ZINC000352242978 134118736 /nfs/dbraw/zinc/11/87/36/134118736.db2.gz VAPYRJVRZXBRNX-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO c1csc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000352243166 134118702 /nfs/dbraw/zinc/11/87/02/134118702.db2.gz XWCWGQOAKIBIKT-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000352245539 134118512 /nfs/dbraw/zinc/11/85/12/134118512.db2.gz ILQVTNHHESNOIW-DVOMOZLQSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cn1 ZINC000352245540 134118556 /nfs/dbraw/zinc/11/85/56/134118556.db2.gz ILQVTNHHESNOIW-HEHGZKQESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cn1 ZINC000352245541 134118666 /nfs/dbraw/zinc/11/86/66/134118666.db2.gz ILQVTNHHESNOIW-WOSRLPQWSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cn1 ZINC000352245542 134118631 /nfs/dbraw/zinc/11/86/31/134118631.db2.gz ILQVTNHHESNOIW-XJKCOSOUSA-N 1 0 246.398 3.558 20 0 BHADRO CCC[N@@H+](Cc1c[nH]nc1C)CC1CCCCC1 ZINC000352246673 134118773 /nfs/dbraw/zinc/11/87/73/134118773.db2.gz RLTOMPXDZWHJNF-UHFFFAOYSA-N 1 0 249.402 3.510 20 0 BHADRO c1cc2cc(C[NH2+]Cc3ccccc3)ccc2o1 ZINC000352252393 134119014 /nfs/dbraw/zinc/11/90/14/134119014.db2.gz YOJLVJYGLOAODW-UHFFFAOYSA-N 1 0 237.302 3.723 20 0 BHADRO CCc1ccc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000352257018 134119245 /nfs/dbraw/zinc/11/92/45/134119245.db2.gz OIIIXROVCALVDM-UHFFFAOYSA-N 1 0 244.382 3.624 20 0 BHADRO CCc1ccc(C[NH2+]CCCC2CCCC2)cn1 ZINC000352257746 134119766 /nfs/dbraw/zinc/11/97/66/134119766.db2.gz WXBKIXHECJIADB-UHFFFAOYSA-N 1 0 246.398 3.704 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000352266798 134128974 /nfs/dbraw/zinc/12/89/74/134128974.db2.gz PBMAWTGWGCOMAY-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCCC2(CC2)C1 ZINC000352278497 134129446 /nfs/dbraw/zinc/12/94/46/134129446.db2.gz BJOSBNHGYKSFKX-UHFFFAOYSA-N 1 0 241.444 3.642 20 0 BHADRO c1cc(CCC[N@@H+]2CCCC3(CC3)C2)cs1 ZINC000352279884 134129702 /nfs/dbraw/zinc/12/97/02/134129702.db2.gz NCDOMVNFUVXDDK-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO c1ccc(SCC[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000352280340 134129875 /nfs/dbraw/zinc/12/98/75/134129875.db2.gz PYJARCVAQXEXFE-UHFFFAOYSA-N 1 0 247.407 3.655 20 0 BHADRO Cn1ccc(C[N@H+](CC2CCCCC2)C2CC2)c1 ZINC000352298123 134139693 /nfs/dbraw/zinc/13/96/93/134139693.db2.gz TUHCDEQQHYLLDZ-UHFFFAOYSA-N 1 0 246.398 3.570 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000352319595 387077865 /nfs/dbraw/zinc/07/78/65/387077865.db2.gz JWOLFXBOBCYRLD-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000352327948 387078839 /nfs/dbraw/zinc/07/88/39/387078839.db2.gz FPKMIXRBABUETE-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000352337908 387093807 /nfs/dbraw/zinc/09/38/07/387093807.db2.gz MIEPFIKOLZVMDU-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC(C)(C)C2)s1 ZINC000352345519 387093083 /nfs/dbraw/zinc/09/30/83/387093083.db2.gz MLKPKCPAJQNIBM-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000352351661 180219058 /nfs/dbraw/zinc/21/90/58/180219058.db2.gz ZEAKSGYZUCEOHM-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000352351664 180218470 /nfs/dbraw/zinc/21/84/70/180218470.db2.gz ZEAKSGYZUCEOHM-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO FCCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000352371688 387116362 /nfs/dbraw/zinc/11/63/62/387116362.db2.gz LEQLYNQCGAGVMU-UHFFFAOYSA-N 1 0 233.330 3.525 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC[C@@H](C)F)CC1 ZINC000352371774 168089882 /nfs/dbraw/zinc/08/98/82/168089882.db2.gz LQEBANUEMZYQOO-GFCCVEGCSA-N 1 0 237.318 3.507 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC[C@H](C)F)CC1 ZINC000352371775 168089955 /nfs/dbraw/zinc/08/99/55/168089955.db2.gz LQEBANUEMZYQOO-LBPRGKRZSA-N 1 0 237.318 3.507 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000352372010 387116187 /nfs/dbraw/zinc/11/61/87/387116187.db2.gz NVFZWUZATFZDLA-CYBMUJFWSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000352372011 387116584 /nfs/dbraw/zinc/11/65/84/387116584.db2.gz NVFZWUZATFZDLA-ZDUSSCGKSA-N 1 0 233.330 3.524 20 0 BHADRO C[N@H+](Cc1ccc2ncccc2c1)CC(C)(C)C ZINC000352372572 387117208 /nfs/dbraw/zinc/11/72/08/387117208.db2.gz UGNXZKJIPQRTDX-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000352392448 356336985 /nfs/dbraw/zinc/33/69/85/356336985.db2.gz UDUDSJNDXSNCFE-JTQLQIEISA-N 1 0 240.416 3.770 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000352392449 356336477 /nfs/dbraw/zinc/33/64/77/356336477.db2.gz UDUDSJNDXSNCFE-SNVBAGLBSA-N 1 0 240.416 3.770 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCc1csc(C)n1 ZINC000352393277 356336799 /nfs/dbraw/zinc/33/67/99/356336799.db2.gz ZTNROTFMYZWGLH-LLVKDONJSA-N 1 0 240.416 3.505 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCc1csc(C)n1 ZINC000352393279 356336899 /nfs/dbraw/zinc/33/68/99/356336899.db2.gz ZTNROTFMYZWGLH-NSHDSACASA-N 1 0 240.416 3.505 20 0 BHADRO C[N@H+](CCCCF)Cc1ccc(F)c(Cl)c1 ZINC000352402987 387147905 /nfs/dbraw/zinc/14/79/05/387147905.db2.gz RCZDLTWBZPIPRB-UHFFFAOYSA-N 1 0 247.716 3.661 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000352403707 387148484 /nfs/dbraw/zinc/14/84/84/387148484.db2.gz XADGRBJWNNVUFY-SECBINFHSA-N 1 0 247.716 3.659 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000352403708 387148360 /nfs/dbraw/zinc/14/83/60/387148360.db2.gz XADGRBJWNNVUFY-VIFPVBQESA-N 1 0 247.716 3.659 20 0 BHADRO CCC1(CC)CCC[N@H+](CCCCOC)CC1 ZINC000352406590 387166038 /nfs/dbraw/zinc/16/60/38/387166038.db2.gz MRLMDTWVHJWMRW-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000352410890 356341554 /nfs/dbraw/zinc/34/15/54/356341554.db2.gz TZYITGVPBSXPCP-CYBMUJFWSA-N 1 0 234.387 3.709 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000352410891 356341339 /nfs/dbraw/zinc/34/13/39/356341339.db2.gz TZYITGVPBSXPCP-ZDUSSCGKSA-N 1 0 234.387 3.709 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000352410954 356341811 /nfs/dbraw/zinc/34/18/11/356341811.db2.gz UYUUORZZDQHAPN-LLVKDONJSA-N 1 0 236.359 3.563 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000352410955 356341390 /nfs/dbraw/zinc/34/13/90/356341390.db2.gz UYUUORZZDQHAPN-NSHDSACASA-N 1 0 236.359 3.563 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1csc(CC)n1 ZINC000352413757 356341851 /nfs/dbraw/zinc/34/18/51/356341851.db2.gz BNNFLGLGSSNWON-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1csc(CC)n1 ZINC000352413758 356341624 /nfs/dbraw/zinc/34/16/24/356341624.db2.gz BNNFLGLGSSNWON-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC000352416431 356342586 /nfs/dbraw/zinc/34/25/86/356342586.db2.gz ULUMDFVTIXWNEW-JTQLQIEISA-N 1 0 240.416 3.770 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC000352416432 356342993 /nfs/dbraw/zinc/34/29/93/356342993.db2.gz ULUMDFVTIXWNEW-SNVBAGLBSA-N 1 0 240.416 3.770 20 0 BHADRO CC[N@H+](CCCCF)Cc1c[nH]c2ccccc12 ZINC000352420235 387179418 /nfs/dbraw/zinc/17/94/18/387179418.db2.gz AMIXUAOGAHTQIE-UHFFFAOYSA-N 1 0 248.345 3.740 20 0 BHADRO C[C@@H](F)CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000352420996 387183393 /nfs/dbraw/zinc/18/33/93/387183393.db2.gz JCUQBJYIAGGJSH-SECBINFHSA-N 1 0 247.716 3.659 20 0 BHADRO C[C@H](F)CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000352420997 387183197 /nfs/dbraw/zinc/18/31/97/387183197.db2.gz JCUQBJYIAGGJSH-VIFPVBQESA-N 1 0 247.716 3.659 20 0 BHADRO CSc1ccccc1C[N@H+](C)CCCCF ZINC000352421591 387185160 /nfs/dbraw/zinc/18/51/60/387185160.db2.gz MHGMMSQOJLSLGJ-UHFFFAOYSA-N 1 0 241.375 3.590 20 0 BHADRO CSc1ccccc1C[N@H+](C)CC[C@@H](C)F ZINC000352421635 387185446 /nfs/dbraw/zinc/18/54/46/387185446.db2.gz MTKWLIDVSIWVPY-LLVKDONJSA-N 1 0 241.375 3.588 20 0 BHADRO CSc1ccccc1C[N@H+](C)CC[C@H](C)F ZINC000352421636 387185581 /nfs/dbraw/zinc/18/55/81/387185581.db2.gz MTKWLIDVSIWVPY-NSHDSACASA-N 1 0 241.375 3.588 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1nc(C)sc1C ZINC000352421777 356346943 /nfs/dbraw/zinc/34/69/43/356346943.db2.gz FERRYKAGAIXTJL-JTQLQIEISA-N 1 0 240.416 3.770 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1nc(C)sc1C ZINC000352421778 356346668 /nfs/dbraw/zinc/34/66/68/356346668.db2.gz FERRYKAGAIXTJL-SNVBAGLBSA-N 1 0 240.416 3.770 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1c[nH]c2ccccc12 ZINC000352422018 387187864 /nfs/dbraw/zinc/18/78/64/387187864.db2.gz PBKBFGVSWHIYAY-GFCCVEGCSA-N 1 0 248.345 3.738 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1c[nH]c2ccccc12 ZINC000352422019 387187531 /nfs/dbraw/zinc/18/75/31/387187531.db2.gz PBKBFGVSWHIYAY-LBPRGKRZSA-N 1 0 248.345 3.738 20 0 BHADRO C[N@H+](CCCCF)Cc1cc(Cl)ccc1F ZINC000352422509 387187996 /nfs/dbraw/zinc/18/79/96/387187996.db2.gz SFVLHKVBHNSTTQ-UHFFFAOYSA-N 1 0 247.716 3.661 20 0 BHADRO c1cc(C[NH2+]Cc2ccc3sccc3c2)c[nH]1 ZINC000352447668 183352769 /nfs/dbraw/zinc/35/27/69/183352769.db2.gz NDKSHRDRROKABZ-UHFFFAOYSA-N 1 0 242.347 3.519 20 0 BHADRO CC(C)COc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000352458398 387224051 /nfs/dbraw/zinc/22/40/51/387224051.db2.gz JZIADGMFHNCWTI-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CCC2 ZINC000352487926 387248604 /nfs/dbraw/zinc/24/86/04/387248604.db2.gz KCYYCKZQERJNCP-INIZCTEOSA-N 1 0 229.367 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CCC2 ZINC000352487927 387248431 /nfs/dbraw/zinc/24/84/31/387248431.db2.gz KCYYCKZQERJNCP-MRXNPFEDSA-N 1 0 229.367 3.905 20 0 BHADRO c1coc(C2=CCC[N@@H+](CC3CCCC3)C2)c1 ZINC000352543513 370688585 /nfs/dbraw/zinc/68/85/85/370688585.db2.gz GBSLGAGBJGYPET-UHFFFAOYSA-N 1 0 231.339 3.559 20 0 BHADRO c1coc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000352545360 387306529 /nfs/dbraw/zinc/30/65/29/387306529.db2.gz WWHBYCJHTPBNNZ-UHFFFAOYSA-N 1 0 239.318 3.569 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352545375 169367021 /nfs/dbraw/zinc/36/70/21/169367021.db2.gz XBFBNUURESMXNE-GFCCVEGCSA-N 1 0 219.328 3.557 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352545376 387308097 /nfs/dbraw/zinc/30/80/97/387308097.db2.gz XBFBNUURESMXNE-LBPRGKRZSA-N 1 0 219.328 3.557 20 0 BHADRO CCc1nc(C)ccc1OCc1ccccc1 ZINC000352547995 356377673 /nfs/dbraw/zinc/37/76/73/356377673.db2.gz MBGVQJFIFLMCBA-UHFFFAOYSA-N 1 0 227.307 3.531 20 0 BHADRO CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000352550491 356377983 /nfs/dbraw/zinc/37/79/83/356377983.db2.gz NVZVSYSQGKOMHH-AWEZNQCLSA-N 1 0 239.309 3.568 20 0 BHADRO CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000352550492 356377764 /nfs/dbraw/zinc/37/77/64/356377764.db2.gz NVZVSYSQGKOMHH-CQSZACIVSA-N 1 0 239.309 3.568 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570860 370687871 /nfs/dbraw/zinc/68/78/71/370687871.db2.gz NBIZEVYXKXAZTD-ARJAWSKDSA-N 1 0 231.339 3.725 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570861 370689021 /nfs/dbraw/zinc/68/90/21/370689021.db2.gz NBIZEVYXKXAZTD-ONEGZZNKSA-N 1 0 231.339 3.725 20 0 BHADRO Cc1ccc(F)cc1C[NH+]1CCC2(CCC2)C1 ZINC000352606458 398321669 /nfs/dbraw/zinc/32/16/69/398321669.db2.gz XTIAXBFCLDPSFD-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C)C1)CCC2 ZINC000352608053 398321888 /nfs/dbraw/zinc/32/18/88/398321888.db2.gz DPCDBSDIKWLNFP-LDZOIKDWSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)C1)CCC2 ZINC000352608054 178950716 /nfs/dbraw/zinc/95/07/16/178950716.db2.gz DPCDBSDIKWLNFP-PXCJXSSVSA-N 1 0 229.367 3.761 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1C)C1CCC1 ZINC000352608226 169901994 /nfs/dbraw/zinc/90/19/94/169901994.db2.gz HKRRVFRMKHRBSS-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000352612780 178686712 /nfs/dbraw/zinc/68/67/12/178686712.db2.gz RGVHQAAROIJVNS-RYUDHWBXSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(F)cc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352612782 387364607 /nfs/dbraw/zinc/36/46/07/387364607.db2.gz RGVHQAAROIJVNS-TXEJJXNPSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(F)cc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000352612784 178686669 /nfs/dbraw/zinc/68/66/69/178686669.db2.gz RGVHQAAROIJVNS-VXGBXAGGSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CCCC1(C)C ZINC000352618953 387384684 /nfs/dbraw/zinc/38/46/84/387384684.db2.gz WPWVALWGWLSEKC-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000352619035 387385945 /nfs/dbraw/zinc/38/59/45/387385945.db2.gz XUMCYYNRTJMWGO-GFCCVEGCSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000352619036 387384383 /nfs/dbraw/zinc/38/43/83/387384383.db2.gz XUMCYYNRTJMWGO-LBPRGKRZSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000352641567 387403599 /nfs/dbraw/zinc/40/35/99/387403599.db2.gz BNZRGMQMRMBKMF-HNNXBMFYSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000352641568 387403091 /nfs/dbraw/zinc/40/30/91/387403091.db2.gz BNZRGMQMRMBKMF-OAHLLOKOSA-N 1 0 233.355 3.743 20 0 BHADRO CC1CCC(C[N@H+](C)Cc2ccoc2)CC1 ZINC000352644420 168153720 /nfs/dbraw/zinc/15/37/20/168153720.db2.gz OSRKXHBWXZFPAZ-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000352646785 387406025 /nfs/dbraw/zinc/40/60/25/387406025.db2.gz XHQVDQSJMHBKHO-HNNXBMFYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000352646786 387406675 /nfs/dbraw/zinc/40/66/75/387406675.db2.gz XHQVDQSJMHBKHO-OAHLLOKOSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2ccoc2)c1C ZINC000352647307 179069806 /nfs/dbraw/zinc/06/98/06/179069806.db2.gz YTWZZTOXWIELLV-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cc(C)c(C[N@H+](C)Cc2ccoc2)cc1C ZINC000352648003 387405819 /nfs/dbraw/zinc/40/58/19/387405819.db2.gz CFRDUMFOPPAATL-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CCCc1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000352649431 387405046 /nfs/dbraw/zinc/40/50/46/387405046.db2.gz KXAWPLXRGIYZHX-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccoc2)cc1C ZINC000352649693 387406647 /nfs/dbraw/zinc/40/66/47/387406647.db2.gz MZRSXUYDXRDPNR-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ccoc1 ZINC000352649938 387407919 /nfs/dbraw/zinc/40/79/19/387407919.db2.gz RIPZHJISVHPWOL-IHWYPQMZSA-N 1 0 245.297 3.564 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ccoc1 ZINC000352649939 387407943 /nfs/dbraw/zinc/40/79/43/387407943.db2.gz RIPZHJISVHPWOL-NSCUHMNNSA-N 1 0 245.297 3.564 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000352651031 356395392 /nfs/dbraw/zinc/39/53/92/356395392.db2.gz CXXKIXRKZWEKDJ-BZPMIXESSA-N 1 0 233.355 3.777 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000352651032 356395257 /nfs/dbraw/zinc/39/52/57/356395257.db2.gz CXXKIXRKZWEKDJ-OUCADQQQSA-N 1 0 233.355 3.777 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000352651033 356395186 /nfs/dbraw/zinc/39/51/86/356395186.db2.gz CXXKIXRKZWEKDJ-SCRDCRAPSA-N 1 0 233.355 3.777 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000352651034 356395749 /nfs/dbraw/zinc/39/57/49/356395749.db2.gz CXXKIXRKZWEKDJ-YRGRVCCFSA-N 1 0 233.355 3.777 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000352651521 356395913 /nfs/dbraw/zinc/39/59/13/356395913.db2.gz BDIHGBVXTAOFGH-CYBMUJFWSA-N 1 0 229.323 3.807 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000352651522 387412258 /nfs/dbraw/zinc/41/22/58/387412258.db2.gz BDIHGBVXTAOFGH-ZDUSSCGKSA-N 1 0 229.323 3.807 20 0 BHADRO C[N@@H+](Cc1ccoc1)Cc1cc2ccccc2o1 ZINC000352652045 387412284 /nfs/dbraw/zinc/41/22/84/387412284.db2.gz KXBWDGDDFBLLPW-UHFFFAOYSA-N 1 0 241.290 3.658 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000352652279 387414660 /nfs/dbraw/zinc/41/46/60/387414660.db2.gz NFVHXRFZEGAARU-AWEZNQCLSA-N 1 0 228.339 3.542 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000352652280 356395789 /nfs/dbraw/zinc/39/57/89/356395789.db2.gz NFVHXRFZEGAARU-CQSZACIVSA-N 1 0 228.339 3.542 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccoc2)c(C)s1 ZINC000352652678 387414471 /nfs/dbraw/zinc/41/44/71/387414471.db2.gz QIWIBNYWKYBBFD-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO C[N@H+](Cc1ccoc1)Cc1coc2ccccc12 ZINC000352653074 387414523 /nfs/dbraw/zinc/41/45/23/387414523.db2.gz UJFYFVUVUBAOHC-UHFFFAOYSA-N 1 0 241.290 3.658 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000352654078 356396329 /nfs/dbraw/zinc/39/63/29/356396329.db2.gz HMLJROWHRHKEJQ-CYBMUJFWSA-N 1 0 228.339 3.542 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000352654079 387416053 /nfs/dbraw/zinc/41/60/53/387416053.db2.gz HMLJROWHRHKEJQ-ZDUSSCGKSA-N 1 0 228.339 3.542 20 0 BHADRO C[N@@H+](Cc1ccoc1)CC1CCCCCC1 ZINC000352654149 387417271 /nfs/dbraw/zinc/41/72/71/387417271.db2.gz HVLHIWDPSAMFPA-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000352654375 356396653 /nfs/dbraw/zinc/39/66/53/356396653.db2.gz KWUZCUWJKOWDOF-CYBMUJFWSA-N 1 0 247.313 3.946 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000352654376 387419308 /nfs/dbraw/zinc/41/93/08/387419308.db2.gz KWUZCUWJKOWDOF-ZDUSSCGKSA-N 1 0 247.313 3.946 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cnc(C(C)C)s1 ZINC000352655587 356396466 /nfs/dbraw/zinc/39/64/66/356396466.db2.gz SYJPPEWNCBJAPY-LLVKDONJSA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cnc(C(C)C)s1 ZINC000352655588 387418211 /nfs/dbraw/zinc/41/82/11/387418211.db2.gz SYJPPEWNCBJAPY-NSHDSACASA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000352656056 387420892 /nfs/dbraw/zinc/42/08/92/387420892.db2.gz XUCCKMAZLXMAFL-HNNXBMFYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000352656059 356396746 /nfs/dbraw/zinc/39/67/46/356396746.db2.gz XUCCKMAZLXMAFL-OAHLLOKOSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000352669702 387432541 /nfs/dbraw/zinc/43/25/41/387432541.db2.gz AUZSHMKAVTWUPC-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000352670993 179068355 /nfs/dbraw/zinc/06/83/55/179068355.db2.gz HGZQWEFSEWUQHB-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000352671000 387431946 /nfs/dbraw/zinc/43/19/46/387431946.db2.gz HIFNSFJQLVMYGV-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(C)cc1C ZINC000352672735 387432419 /nfs/dbraw/zinc/43/24/19/387432419.db2.gz MCOJECREOREXJT-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccoc2C)cc1 ZINC000352675636 387432321 /nfs/dbraw/zinc/43/23/21/387432321.db2.gz RVHMEXAIISBZHS-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000352679331 387434225 /nfs/dbraw/zinc/43/42/25/387434225.db2.gz YYXSNKFVVUKBEZ-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1ccc(F)cc1C[N@H+](C)CCC(F)(F)F ZINC000352695007 387440150 /nfs/dbraw/zinc/44/01/50/387440150.db2.gz WVBUQVGKWXAOHN-UHFFFAOYSA-N 1 0 249.251 3.518 20 0 BHADRO CC1(CC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352706701 168020548 /nfs/dbraw/zinc/02/05/48/168020548.db2.gz PWAKVHFSZBHPAC-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CC34CCCC4)ccc2o1 ZINC000352714876 183374618 /nfs/dbraw/zinc/37/46/18/183374618.db2.gz YAADCUJFPDBUJN-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC34CCCC4)ccc2o1 ZINC000352714877 183374885 /nfs/dbraw/zinc/37/48/85/183374885.db2.gz YAADCUJFPDBUJN-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000352718109 387460983 /nfs/dbraw/zinc/46/09/83/387460983.db2.gz FYTZKVWILGUNNI-CMPLNLGQSA-N 1 0 239.746 3.698 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000352718110 387460489 /nfs/dbraw/zinc/46/04/89/387460489.db2.gz FYTZKVWILGUNNI-ZYHUDNBSSA-N 1 0 239.746 3.698 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000352725104 387463292 /nfs/dbraw/zinc/46/32/92/387463292.db2.gz LSZBWGQRLYLJEE-DOMZBBRYSA-N 1 0 233.355 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000352725105 387463030 /nfs/dbraw/zinc/46/30/30/387463030.db2.gz LSZBWGQRLYLJEE-IUODEOHRSA-N 1 0 233.355 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000352725106 387462597 /nfs/dbraw/zinc/46/25/97/387462597.db2.gz LSZBWGQRLYLJEE-SWLSCSKDSA-N 1 0 233.355 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000352725107 387463226 /nfs/dbraw/zinc/46/32/26/387463226.db2.gz LSZBWGQRLYLJEE-WFASDCNBSA-N 1 0 233.355 3.607 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C)C1 ZINC000352735478 387465141 /nfs/dbraw/zinc/46/51/41/387465141.db2.gz CHZJGYYJQGWRBV-LLVKDONJSA-N 1 0 229.323 3.583 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C)C1 ZINC000352735479 387464970 /nfs/dbraw/zinc/46/49/70/387464970.db2.gz CHZJGYYJQGWRBV-NSHDSACASA-N 1 0 229.323 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352735763 176213607 /nfs/dbraw/zinc/21/36/07/176213607.db2.gz DICHLCTUGLLOBG-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352735764 177205539 /nfs/dbraw/zinc/20/55/39/177205539.db2.gz DICHLCTUGLLOBG-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352735765 176233571 /nfs/dbraw/zinc/23/35/71/176233571.db2.gz DICHLCTUGLLOBG-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352735766 177193629 /nfs/dbraw/zinc/19/36/29/177193629.db2.gz DICHLCTUGLLOBG-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cn1 ZINC000352738522 171810763 /nfs/dbraw/zinc/81/07/63/171810763.db2.gz ULAZGMNYMUXOTI-DVOMOZLQSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cn1 ZINC000352738523 171811087 /nfs/dbraw/zinc/81/10/87/171811087.db2.gz ULAZGMNYMUXOTI-HEHGZKQESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cn1 ZINC000352738524 387465041 /nfs/dbraw/zinc/46/50/41/387465041.db2.gz ULAZGMNYMUXOTI-WOSRLPQWSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cn1 ZINC000352738525 387465159 /nfs/dbraw/zinc/46/51/59/387465159.db2.gz ULAZGMNYMUXOTI-XJKCOSOUSA-N 1 0 246.398 3.558 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1ccc2occc2c1 ZINC000352741359 171466251 /nfs/dbraw/zinc/46/62/51/171466251.db2.gz DVLFFZYBHMRNJW-CYBMUJFWSA-N 1 0 249.379 3.664 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1ccc2occc2c1 ZINC000352741361 170853482 /nfs/dbraw/zinc/85/34/82/170853482.db2.gz DVLFFZYBHMRNJW-ZDUSSCGKSA-N 1 0 249.379 3.664 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)cn1 ZINC000352741961 387461993 /nfs/dbraw/zinc/46/19/93/387461993.db2.gz KKEYTXSQMNYTLO-BBRMVZONSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cn1 ZINC000352741962 387463062 /nfs/dbraw/zinc/46/30/62/387463062.db2.gz KKEYTXSQMNYTLO-CJNGLKHVSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cn1 ZINC000352741963 387462892 /nfs/dbraw/zinc/46/28/92/387462892.db2.gz KKEYTXSQMNYTLO-CZUORRHYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cn1 ZINC000352741964 171811125 /nfs/dbraw/zinc/81/11/25/171811125.db2.gz KKEYTXSQMNYTLO-XJKSGUPXSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)cn1 ZINC000352744198 387469278 /nfs/dbraw/zinc/46/92/78/387469278.db2.gz ZCDSUABARZPKBC-HNNXBMFYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)cn1 ZINC000352744199 171809657 /nfs/dbraw/zinc/80/96/57/171809657.db2.gz ZCDSUABARZPKBC-OAHLLOKOSA-N 1 0 246.398 3.702 20 0 BHADRO Cc1[nH+]ccc(N2CCC(C)(C)CC2)c1Cl ZINC000352746030 132249338 /nfs/dbraw/zinc/24/93/38/132249338.db2.gz OAJJQWIHBRZRKR-UHFFFAOYSA-N 1 0 238.762 3.670 20 0 BHADRO CCc1ccc(C[NH2+]CC2(CC(C)C)CC2)cn1 ZINC000352746523 387469298 /nfs/dbraw/zinc/46/92/98/387469298.db2.gz BNKNDCBILHEOLM-UHFFFAOYSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCC(C)(C)C)cn1 ZINC000352747154 387472282 /nfs/dbraw/zinc/47/22/82/387472282.db2.gz DIBPLWWVAORNRH-CYBMUJFWSA-N 1 0 248.414 3.948 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCC(C)(C)C)cn1 ZINC000352747155 387471195 /nfs/dbraw/zinc/47/11/95/387471195.db2.gz DIBPLWWVAORNRH-ZDUSSCGKSA-N 1 0 248.414 3.948 20 0 BHADRO CSCCCC[NH2+]Cc1ccc2occc2c1 ZINC000352747693 387472625 /nfs/dbraw/zinc/47/26/25/387472625.db2.gz GDIDXYCIIKJJGT-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C[C@H](C)CC)cn1 ZINC000352747717 387471589 /nfs/dbraw/zinc/47/15/89/387471589.db2.gz GHCVRTBHCKJRFH-CHWSQXEVSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)CC)cn1 ZINC000352747720 387472219 /nfs/dbraw/zinc/47/22/19/387472219.db2.gz GHCVRTBHCKJRFH-OLZOCXBDSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)CC)cn1 ZINC000352747723 387471041 /nfs/dbraw/zinc/47/10/41/387471041.db2.gz GHCVRTBHCKJRFH-QWHCGFSZSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)CC)cn1 ZINC000352747981 387472647 /nfs/dbraw/zinc/47/26/47/387472647.db2.gz GHCVRTBHCKJRFH-STQMWFEESA-N 1 0 234.387 3.558 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352749701 356410274 /nfs/dbraw/zinc/41/02/74/356410274.db2.gz OCYJCQMBOUIPJK-CYBMUJFWSA-N 1 0 229.323 3.569 20 0 BHADRO CC1(C)C[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352749702 187370628 /nfs/dbraw/zinc/37/06/28/187370628.db2.gz OCYJCQMBOUIPJK-ZDUSSCGKSA-N 1 0 229.323 3.569 20 0 BHADRO CC(C)C1(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352751348 387471748 /nfs/dbraw/zinc/47/17/48/387471748.db2.gz UHQSGIWLDVYWOK-UHFFFAOYSA-N 1 0 243.350 3.959 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CCC(C)CC2)cn1 ZINC000352753034 171803976 /nfs/dbraw/zinc/80/39/76/171803976.db2.gz CJJYLKFVNLLPHC-UHFFFAOYSA-N 1 0 246.398 3.702 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(CC)nc2)CCC1 ZINC000352754482 387472605 /nfs/dbraw/zinc/47/26/05/387472605.db2.gz IVXCCEYJXISTDW-UHFFFAOYSA-N 1 0 246.398 3.704 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000352754879 176150660 /nfs/dbraw/zinc/15/06/60/176150660.db2.gz KSDNPMQZKPWQHN-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000352754881 177127137 /nfs/dbraw/zinc/12/71/37/177127137.db2.gz KSDNPMQZKPWQHN-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000352755068 176131904 /nfs/dbraw/zinc/13/19/04/176131904.db2.gz KSDNPMQZKPWQHN-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000352755074 177142988 /nfs/dbraw/zinc/14/29/88/177142988.db2.gz KSDNPMQZKPWQHN-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C(C)(C)C)cn1 ZINC000352756020 171809925 /nfs/dbraw/zinc/80/99/25/171809925.db2.gz AKPVTKUGIAYYPH-AWEZNQCLSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C(C)(C)C)cn1 ZINC000352756021 387472049 /nfs/dbraw/zinc/47/20/49/387472049.db2.gz AKPVTKUGIAYYPH-CQSZACIVSA-N 1 0 234.387 3.558 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CC=CCC3)ccc2o1 ZINC000352756909 188231991 /nfs/dbraw/zinc/23/19/91/188231991.db2.gz SFSOQFGAUZEYOI-AWEZNQCLSA-N 1 0 227.307 3.631 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC=CCC3)ccc2o1 ZINC000352756910 188592878 /nfs/dbraw/zinc/59/28/78/188592878.db2.gz SFSOQFGAUZEYOI-CQSZACIVSA-N 1 0 227.307 3.631 20 0 BHADRO CCC1([NH2+]Cc2ccc3occc3c2)CCC1 ZINC000352760271 387467791 /nfs/dbraw/zinc/46/77/91/387467791.db2.gz AZMNDXRGUFEENZ-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3C=CCCC3)ccc2o1 ZINC000352760933 387467357 /nfs/dbraw/zinc/46/73/57/387467357.db2.gz BPDYHBCOBBUJJX-AWEZNQCLSA-N 1 0 227.307 3.631 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3C=CCCC3)ccc2o1 ZINC000352760934 387466121 /nfs/dbraw/zinc/46/61/21/387466121.db2.gz BPDYHBCOBBUJJX-CQSZACIVSA-N 1 0 227.307 3.631 20 0 BHADRO CCc1ccc(C[NH2+]CC2(C)CCCCC2)cn1 ZINC000352761059 387467051 /nfs/dbraw/zinc/46/70/51/387467051.db2.gz TWVXLCXKGHVGPF-UHFFFAOYSA-N 1 0 246.398 3.704 20 0 BHADRO c1cc2cc(C[NH2+]CC3(C4CC4)CC3)ccc2o1 ZINC000352761678 183374829 /nfs/dbraw/zinc/37/48/29/183374829.db2.gz YGHIRWZMAOMIBN-UHFFFAOYSA-N 1 0 241.334 3.713 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(C)n1 ZINC000352761940 387466461 /nfs/dbraw/zinc/46/64/61/387466461.db2.gz VTVUYVGLAOMRST-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(C)n1 ZINC000352761941 356410110 /nfs/dbraw/zinc/41/01/10/356410110.db2.gz VTVUYVGLAOMRST-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC1(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352764076 168478476 /nfs/dbraw/zinc/47/84/76/168478476.db2.gz APNYFAOPCIWHGU-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cn1 ZINC000352766484 387470474 /nfs/dbraw/zinc/47/04/74/387470474.db2.gz XHTPCPJWXCADHC-DZGCQCFKSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cn1 ZINC000352766485 387470201 /nfs/dbraw/zinc/47/02/01/387470201.db2.gz XHTPCPJWXCADHC-HIFRSBDPSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)cn1 ZINC000352766486 171807657 /nfs/dbraw/zinc/80/76/57/171807657.db2.gz XHTPCPJWXCADHC-UKRRQHHQSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cn1 ZINC000352766487 387468867 /nfs/dbraw/zinc/46/88/67/387468867.db2.gz XHTPCPJWXCADHC-ZFWWWQNUSA-N 1 0 246.398 3.560 20 0 BHADRO CC1(C[NH2+]Cc2ccc3occc3c2)CCC1 ZINC000352767533 168044145 /nfs/dbraw/zinc/04/41/45/168044145.db2.gz MITVJNCNKOUXSN-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CCc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000352767605 387469310 /nfs/dbraw/zinc/46/93/10/387469310.db2.gz MYNJXVBHZCOSGF-CHWSQXEVSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000352769406 387468924 /nfs/dbraw/zinc/46/89/24/387468924.db2.gz MYNJXVBHZCOSGF-STQMWFEESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000352769407 387469403 /nfs/dbraw/zinc/46/94/03/387469403.db2.gz MYNJXVBHZCOSGF-VIKVFOODSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC(C)(C)CC2)cn1 ZINC000352773120 171803306 /nfs/dbraw/zinc/80/33/06/171803306.db2.gz QEIAVFAWZFKZGT-UHFFFAOYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCCC2(C)C)cn1 ZINC000352777843 171811931 /nfs/dbraw/zinc/81/19/31/171811931.db2.gz VDJIKYBXUYBRDN-HNNXBMFYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)cn1 ZINC000352777844 387474385 /nfs/dbraw/zinc/47/43/85/387474385.db2.gz VDJIKYBXUYBRDN-OAHLLOKOSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cn1 ZINC000352778570 387476719 /nfs/dbraw/zinc/47/67/19/387476719.db2.gz VRJNNJHVEMXYJO-DVOMOZLQSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cn1 ZINC000352778571 387477019 /nfs/dbraw/zinc/47/70/19/387477019.db2.gz VRJNNJHVEMXYJO-HEHGZKQESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cn1 ZINC000352778572 387476111 /nfs/dbraw/zinc/47/61/11/387476111.db2.gz VRJNNJHVEMXYJO-WOSRLPQWSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cn1 ZINC000352778573 387476781 /nfs/dbraw/zinc/47/67/81/387476781.db2.gz VRJNNJHVEMXYJO-XJKCOSOUSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cn1 ZINC000352780137 171804716 /nfs/dbraw/zinc/80/47/16/171804716.db2.gz NSMXLDGTODMXLN-CHWSQXEVSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000352780138 171804927 /nfs/dbraw/zinc/80/49/27/171804927.db2.gz NSMXLDGTODMXLN-STQMWFEESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000352780139 387478036 /nfs/dbraw/zinc/47/80/36/387478036.db2.gz NSMXLDGTODMXLN-VIKVFOODSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cn1 ZINC000352780665 387478740 /nfs/dbraw/zinc/47/87/40/387478740.db2.gz PRGRBIVVHWLWKO-KBPBESRZSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cn1 ZINC000352780666 171806910 /nfs/dbraw/zinc/80/69/10/171806910.db2.gz PRGRBIVVHWLWKO-KGLIPLIRSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cn1 ZINC000352780667 171807614 /nfs/dbraw/zinc/80/76/14/171807614.db2.gz PRGRBIVVHWLWKO-UONOGXRCSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000352780668 387479332 /nfs/dbraw/zinc/47/93/32/387479332.db2.gz PRGRBIVVHWLWKO-ZIAGYGMSSA-N 1 0 246.398 3.560 20 0 BHADRO CCc1ccc(C[NH2+]CC2(CC)CCCC2)cn1 ZINC000352781340 387477924 /nfs/dbraw/zinc/47/79/24/387477924.db2.gz ZCHJWIFBYSJUJQ-UHFFFAOYSA-N 1 0 246.398 3.704 20 0 BHADRO c1cc2cc(C[NH2+]Cc3ccsc3)ccc2o1 ZINC000352781488 183374783 /nfs/dbraw/zinc/37/47/83/183374783.db2.gz ZNZLKKJADOSRFN-UHFFFAOYSA-N 1 0 243.331 3.784 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC=C(F)C1 ZINC000352781793 179318893 /nfs/dbraw/zinc/31/88/93/179318893.db2.gz ZTNGHORTEYLFST-GFCCVEGCSA-N 1 0 219.303 3.615 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC=C(F)C1 ZINC000352781794 179333749 /nfs/dbraw/zinc/33/37/49/179333749.db2.gz ZTNGHORTEYLFST-LBPRGKRZSA-N 1 0 219.303 3.615 20 0 BHADRO CC(C)[NH+](Cc1ccn(C2CCCC2)n1)C(C)C ZINC000352782435 387478832 /nfs/dbraw/zinc/47/88/32/387478832.db2.gz DOBNRMARXYCOLK-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO Cc1cc(C[NH+](C(C)C)C(C)C)c(C)s1 ZINC000352782967 177968156 /nfs/dbraw/zinc/96/81/56/177968156.db2.gz GWHFORIEWCMNST-UHFFFAOYSA-N 1 0 225.401 3.984 20 0 BHADRO FC1=CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000352783329 387481021 /nfs/dbraw/zinc/48/10/21/387481021.db2.gz JIJJNPQRHHBVOJ-HNNXBMFYSA-N 1 0 231.314 3.623 20 0 BHADRO FC1=CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000352783331 387480884 /nfs/dbraw/zinc/48/08/84/387480884.db2.gz JIJJNPQRHHBVOJ-OAHLLOKOSA-N 1 0 231.314 3.623 20 0 BHADRO CCC1(C[NH2+]C2CC(OC(C)(C)C)C2)CCC1 ZINC000352789866 387486846 /nfs/dbraw/zinc/48/68/46/387486846.db2.gz PSDWTIGBSAMHLD-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](CC)C2)cn1 ZINC000352792095 387488387 /nfs/dbraw/zinc/48/83/87/387488387.db2.gz RMDQWMLXAGKHJT-BBRMVZONSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](CC)C2)cn1 ZINC000352792096 387487944 /nfs/dbraw/zinc/48/79/44/387487944.db2.gz RMDQWMLXAGKHJT-CJNGLKHVSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)cn1 ZINC000352792097 171810090 /nfs/dbraw/zinc/81/00/90/171810090.db2.gz RMDQWMLXAGKHJT-CZUORRHYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](CC)C2)cn1 ZINC000352792098 387487831 /nfs/dbraw/zinc/48/78/31/387487831.db2.gz RMDQWMLXAGKHJT-XJKSGUPXSA-N 1 0 246.398 3.702 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC000352797638 177101082 /nfs/dbraw/zinc/10/10/82/177101082.db2.gz JHHKCCYVBNDGGM-JTQLQIEISA-N 1 0 227.735 3.555 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC000352798074 176101170 /nfs/dbraw/zinc/10/11/70/176101170.db2.gz JHHKCCYVBNDGGM-SNVBAGLBSA-N 1 0 227.735 3.555 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc2occc2c1 ZINC000352798080 176613476 /nfs/dbraw/zinc/61/34/76/176613476.db2.gz XRQSLHILFFLRIQ-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc2occc2c1 ZINC000352798081 387490117 /nfs/dbraw/zinc/49/01/17/387490117.db2.gz XRQSLHILFFLRIQ-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)CC2)s1 ZINC000352799256 387489182 /nfs/dbraw/zinc/48/91/82/387489182.db2.gz LXVYNTDLUDLFHC-LLVKDONJSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)CC2)s1 ZINC000352799257 387488986 /nfs/dbraw/zinc/48/89/86/387488986.db2.gz LXVYNTDLUDLFHC-NSHDSACASA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000352799268 179542811 /nfs/dbraw/zinc/54/28/11/179542811.db2.gz LYZQFNWDKVWWQO-LLVKDONJSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@H](C)CC1 ZINC000352799269 387489964 /nfs/dbraw/zinc/48/99/64/387489964.db2.gz LYZQFNWDKVWWQO-NSHDSACASA-N 1 0 223.385 3.679 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000352800084 176101093 /nfs/dbraw/zinc/10/10/93/176101093.db2.gz GREFRZMAAPQROL-LLVKDONJSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000352800093 177101533 /nfs/dbraw/zinc/10/15/33/177101533.db2.gz GREFRZMAAPQROL-NSHDSACASA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC000352801214 177102417 /nfs/dbraw/zinc/10/24/17/177102417.db2.gz RZLUXFISOWUFGS-NSHDSACASA-N 1 0 239.309 3.587 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000352804107 176100730 /nfs/dbraw/zinc/10/07/30/176100730.db2.gz ZKILZSHTSHWUGB-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000352804114 177102276 /nfs/dbraw/zinc/10/22/76/177102276.db2.gz ZKILZSHTSHWUGB-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000352807113 176101897 /nfs/dbraw/zinc/10/18/97/176101897.db2.gz WESRBBHOUUGDGD-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000352807115 177101968 /nfs/dbraw/zinc/10/19/68/177101968.db2.gz WESRBBHOUUGDGD-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@H+](Cc1cccc(COC)c1)[C@@H](C)C(C)C ZINC000352816594 356421995 /nfs/dbraw/zinc/42/19/95/356421995.db2.gz OYUQMXOWBXZDFN-AWEZNQCLSA-N 1 0 249.398 3.699 20 0 BHADRO CC[N@H+](Cc1cccc(COC)c1)[C@H](C)C(C)C ZINC000352816597 356422450 /nfs/dbraw/zinc/42/24/50/356422450.db2.gz OYUQMXOWBXZDFN-CQSZACIVSA-N 1 0 249.398 3.699 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC(CC)CC2)cn1 ZINC000352818637 387515533 /nfs/dbraw/zinc/51/55/33/387515533.db2.gz OEAJXHJHEIJBKN-UHFFFAOYSA-N 1 0 246.398 3.702 20 0 BHADRO Cn1ccc(C[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000352821530 387518800 /nfs/dbraw/zinc/51/88/00/387518800.db2.gz HGJLZMBUVNOQQT-UHFFFAOYSA-N 1 0 246.398 3.618 20 0 BHADRO CCOCCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000352822875 170372097 /nfs/dbraw/zinc/37/20/97/170372097.db2.gz HVGXQCMWJNUVSP-AWEZNQCLSA-N 1 0 247.382 3.639 20 0 BHADRO CCOCCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000352822876 170371780 /nfs/dbraw/zinc/37/17/80/170371780.db2.gz HVGXQCMWJNUVSP-CQSZACIVSA-N 1 0 247.382 3.639 20 0 BHADRO CCc1ccc(C[NH2+]CC2CCC(C)CC2)cn1 ZINC000352825590 171804941 /nfs/dbraw/zinc/80/49/41/171804941.db2.gz SPQABZLGEBKRNW-UHFFFAOYSA-N 1 0 246.398 3.560 20 0 BHADRO Cc1[nH+]ccc(N2CCCC(C)(C)C2)c1Cl ZINC000352827418 132249610 /nfs/dbraw/zinc/24/96/10/132249610.db2.gz KUUVGEHDZDVHRL-UHFFFAOYSA-N 1 0 238.762 3.670 20 0 BHADRO CSCCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000352831668 386677384 /nfs/dbraw/zinc/67/73/84/386677384.db2.gz MNJIWUCTGLGAPC-CYBMUJFWSA-N 1 0 249.423 3.965 20 0 BHADRO CSCCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000352831676 386676617 /nfs/dbraw/zinc/67/66/17/386676617.db2.gz MNJIWUCTGLGAPC-ZDUSSCGKSA-N 1 0 249.423 3.965 20 0 BHADRO CC(C)OCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000352834833 167229175 /nfs/dbraw/zinc/22/91/75/167229175.db2.gz XDBNWPMXPPPARR-AWEZNQCLSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)OCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000352834834 167228277 /nfs/dbraw/zinc/22/82/77/167228277.db2.gz XDBNWPMXPPPARR-CQSZACIVSA-N 1 0 247.382 3.637 20 0 BHADRO Cn1cccc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352836073 386681991 /nfs/dbraw/zinc/68/19/91/386681991.db2.gz JMIAGYSGXCMWGI-UHFFFAOYSA-N 1 0 246.398 3.618 20 0 BHADRO Cc1cc(Cl)cc(CN2CCC=C(F)C2)c1 ZINC000352836827 178063897 /nfs/dbraw/zinc/06/38/97/178063897.db2.gz ANOFIGLYQXINFV-UHFFFAOYSA-N 1 0 239.721 3.708 20 0 BHADRO CC1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352848037 168163031 /nfs/dbraw/zinc/16/30/31/168163031.db2.gz IDXWWGYKVRKVIM-UHFFFAOYSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1[nH+]ccc(N2Cc3ccccc3C2)c1Cl ZINC000352850351 180195580 /nfs/dbraw/zinc/19/55/80/180195580.db2.gz SLXKLRDBTARBPN-UHFFFAOYSA-N 1 0 244.725 3.564 20 0 BHADRO CCSCCC[NH2+]Cc1ccc2occc2c1 ZINC000352853081 170628891 /nfs/dbraw/zinc/62/88/91/170628891.db2.gz KTZBHXWYZFFHKS-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO Cc1sccc1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000352855231 386759983 /nfs/dbraw/zinc/75/99/83/386759983.db2.gz BOZLUYNXIZEVDP-CYBMUJFWSA-N 1 0 235.396 3.845 20 0 BHADRO Cc1sccc1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000352855233 386760268 /nfs/dbraw/zinc/76/02/68/386760268.db2.gz BOZLUYNXIZEVDP-ZDUSSCGKSA-N 1 0 235.396 3.845 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000352866460 386785435 /nfs/dbraw/zinc/78/54/35/386785435.db2.gz LIAQDNSTUAKREG-GFCCVEGCSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000352866461 386784428 /nfs/dbraw/zinc/78/44/28/386784428.db2.gz LIAQDNSTUAKREG-LBPRGKRZSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000352867334 386788141 /nfs/dbraw/zinc/78/81/41/386788141.db2.gz QHLCADQULXCBBD-LLVKDONJSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000352867335 386786854 /nfs/dbraw/zinc/78/68/54/386786854.db2.gz QHLCADQULXCBBD-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352872520 386806095 /nfs/dbraw/zinc/80/60/95/386806095.db2.gz QTUJBQQQRLSXQR-GXTWGEPZSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352872521 180944825 /nfs/dbraw/zinc/94/48/25/180944825.db2.gz QTUJBQQQRLSXQR-JSGCOSHPSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352872522 386804832 /nfs/dbraw/zinc/80/48/32/386804832.db2.gz QTUJBQQQRLSXQR-OCCSQVGLSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352872523 180942359 /nfs/dbraw/zinc/94/23/59/180942359.db2.gz QTUJBQQQRLSXQR-TZMCWYRMSA-N 1 0 239.378 3.970 20 0 BHADRO C[N@@H+]1CC[C@@H](CSC2CCC(C)(C)CC2)C1 ZINC000352902780 173117209 /nfs/dbraw/zinc/11/72/09/173117209.db2.gz QSPIUGNEXSMIKM-GFCCVEGCSA-N 1 0 241.444 3.640 20 0 BHADRO C[N@@H+]1CC[C@H](CSC2CCC(C)(C)CC2)C1 ZINC000352902790 173147533 /nfs/dbraw/zinc/14/75/33/173147533.db2.gz QSPIUGNEXSMIKM-LBPRGKRZSA-N 1 0 241.444 3.640 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2[nH]ncc2C)CC1 ZINC000352904548 386955957 /nfs/dbraw/zinc/95/59/57/386955957.db2.gz UEAKZZQWPLGUOP-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO CC(C)n1nccc1C[NH2+]CC1(C)CCCCC1 ZINC000352909129 167792274 /nfs/dbraw/zinc/79/22/74/167792274.db2.gz YHUZOCSIQHPVLC-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)OC1CC([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000352909526 167940354 /nfs/dbraw/zinc/94/03/54/167940354.db2.gz MFSQOZUGEKGBIY-HIFPTAJRSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)(C)OC1CC([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000352909528 356644129 /nfs/dbraw/zinc/64/41/29/356644129.db2.gz MFSQOZUGEKGBIY-PNESKVBLSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cccc(CCC[NH2+]C2CCCCCC2)n1 ZINC000352916015 179054086 /nfs/dbraw/zinc/05/40/86/179054086.db2.gz RCMZIQPNFIQBKO-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)nc1 ZINC000352917417 386966874 /nfs/dbraw/zinc/96/68/74/386966874.db2.gz XPEGDNHWMLLBPJ-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)s1 ZINC000352925643 386968040 /nfs/dbraw/zinc/96/80/40/386968040.db2.gz NGVYMBYTJIFTRX-AWEZNQCLSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000352925644 386969794 /nfs/dbraw/zinc/96/97/94/386969794.db2.gz NGVYMBYTJIFTRX-CQSZACIVSA-N 1 0 235.396 3.821 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC000352926392 176100447 /nfs/dbraw/zinc/10/04/47/176100447.db2.gz OQGBZGBUCVXOKZ-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)[C@H]1C ZINC000352926393 386969266 /nfs/dbraw/zinc/96/92/66/386969266.db2.gz OQGBZGBUCVXOKZ-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2c(F)cccc2F)[C@H]1C ZINC000352926394 177099103 /nfs/dbraw/zinc/09/91/03/177099103.db2.gz OQGBZGBUCVXOKZ-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC000352926395 177100151 /nfs/dbraw/zinc/10/01/51/177100151.db2.gz OQGBZGBUCVXOKZ-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC000352926407 176101931 /nfs/dbraw/zinc/10/19/31/176101931.db2.gz OZSSHADIMCWXDE-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000352926408 386967890 /nfs/dbraw/zinc/96/78/90/386967890.db2.gz OZSSHADIMCWXDE-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000352926409 177102185 /nfs/dbraw/zinc/10/21/85/177102185.db2.gz OZSSHADIMCWXDE-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000352926410 177102428 /nfs/dbraw/zinc/10/24/28/177102428.db2.gz OZSSHADIMCWXDE-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC000352926496 176099392 /nfs/dbraw/zinc/09/93/92/176099392.db2.gz PSNGJMKLWROQGU-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000352926497 386969370 /nfs/dbraw/zinc/96/93/70/386969370.db2.gz PSNGJMKLWROQGU-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000352926498 177099161 /nfs/dbraw/zinc/09/91/61/177099161.db2.gz PSNGJMKLWROQGU-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000352926499 177100550 /nfs/dbraw/zinc/10/05/50/177100550.db2.gz PSNGJMKLWROQGU-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000352927250 386969333 /nfs/dbraw/zinc/96/93/33/386969333.db2.gz VNEJVCAOUMQSLG-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000352927251 386967985 /nfs/dbraw/zinc/96/79/85/386967985.db2.gz VNEJVCAOUMQSLG-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000352927252 386968023 /nfs/dbraw/zinc/96/80/23/386968023.db2.gz VNEJVCAOUMQSLG-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000352927253 386968187 /nfs/dbraw/zinc/96/81/87/386968187.db2.gz VNEJVCAOUMQSLG-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000352927461 176101353 /nfs/dbraw/zinc/10/13/53/176101353.db2.gz XPBRFBJRGCMEME-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000352927462 386968506 /nfs/dbraw/zinc/96/85/06/386968506.db2.gz XPBRFBJRGCMEME-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000352927463 177101634 /nfs/dbraw/zinc/10/16/34/177101634.db2.gz XPBRFBJRGCMEME-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000352927464 177102420 /nfs/dbraw/zinc/10/24/20/177102420.db2.gz XPBRFBJRGCMEME-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)[C@@H]1C ZINC000352927821 176101394 /nfs/dbraw/zinc/10/13/94/176101394.db2.gz YQCZFCLGCKSZAG-CHWSQXEVSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)[C@H]1C ZINC000352927822 386968135 /nfs/dbraw/zinc/96/81/35/386968135.db2.gz YQCZFCLGCKSZAG-OLZOCXBDSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000352927823 177102321 /nfs/dbraw/zinc/10/23/21/177102321.db2.gz YQCZFCLGCKSZAG-QWHCGFSZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)[C@H]1C ZINC000352927824 177101262 /nfs/dbraw/zinc/10/12/62/177101262.db2.gz YQCZFCLGCKSZAG-STQMWFEESA-N 1 0 242.366 3.788 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000352928023 168129204 /nfs/dbraw/zinc/12/92/04/168129204.db2.gz ALINMCLNLFRVDC-CMPLNLGQSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000352928028 168130912 /nfs/dbraw/zinc/13/09/12/168130912.db2.gz ALINMCLNLFRVDC-JQWIXIFHSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000352928029 168125698 /nfs/dbraw/zinc/12/56/98/168125698.db2.gz ALINMCLNLFRVDC-PWSUYJOCSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000352928031 168123659 /nfs/dbraw/zinc/12/36/59/168123659.db2.gz ALINMCLNLFRVDC-ZYHUDNBSSA-N 1 0 243.341 3.614 20 0 BHADRO CC1(C[NH2+]C/C=C/c2ccncc2)CCCCC1 ZINC000352929141 168040052 /nfs/dbraw/zinc/04/00/52/168040052.db2.gz BNKNRKFTLVCENB-AATRIKPKSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C[NH2+]C/C=C\c2ccncc2)CCCCC1 ZINC000352929142 168040877 /nfs/dbraw/zinc/04/08/77/168040877.db2.gz BNKNRKFTLVCENB-WAYWQWQTSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC2(C)C)cc1F ZINC000352933460 386972339 /nfs/dbraw/zinc/97/23/39/386972339.db2.gz CKOHAUDXFVPIOF-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000352935195 356645448 /nfs/dbraw/zinc/64/54/48/356645448.db2.gz NKTPKZGFZXKWNY-UHFFFAOYSA-N 1 0 247.313 3.946 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000352935895 386971682 /nfs/dbraw/zinc/97/16/82/386971682.db2.gz RVDDRCCIYHBZKJ-CYBMUJFWSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000352935896 386970312 /nfs/dbraw/zinc/97/03/12/386970312.db2.gz RVDDRCCIYHBZKJ-ZDUSSCGKSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000352935947 386972070 /nfs/dbraw/zinc/97/20/70/386972070.db2.gz SMNYDOGKZMIOCU-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC2(C)C)o1 ZINC000352936067 177351234 /nfs/dbraw/zinc/35/12/34/177351234.db2.gz SXFFHCFBMPKXMU-AAEUAGOBSA-N 1 0 233.355 3.777 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC2(C)C)o1 ZINC000352936068 187207216 /nfs/dbraw/zinc/20/72/16/187207216.db2.gz SXFFHCFBMPKXMU-DGCLKSJQSA-N 1 0 233.355 3.777 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC2(C)C)o1 ZINC000352936069 386970711 /nfs/dbraw/zinc/97/07/11/386970711.db2.gz SXFFHCFBMPKXMU-WCQYABFASA-N 1 0 233.355 3.777 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC2(C)C)o1 ZINC000352936070 386970220 /nfs/dbraw/zinc/97/02/20/386970220.db2.gz SXFFHCFBMPKXMU-YPMHNXCESA-N 1 0 233.355 3.777 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)[C@@H]1C ZINC000352936191 176101990 /nfs/dbraw/zinc/10/19/90/176101990.db2.gz VZUHIQMIPOMLOS-CHWSQXEVSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)[C@H]1C ZINC000352936192 386972272 /nfs/dbraw/zinc/97/22/72/386972272.db2.gz VZUHIQMIPOMLOS-OLZOCXBDSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000352936193 177101202 /nfs/dbraw/zinc/10/12/02/177101202.db2.gz VZUHIQMIPOMLOS-QWHCGFSZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)[C@H]1C ZINC000352936194 177101090 /nfs/dbraw/zinc/10/10/90/177101090.db2.gz VZUHIQMIPOMLOS-STQMWFEESA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccsc1C ZINC000352946566 386974215 /nfs/dbraw/zinc/97/42/15/386974215.db2.gz MOPKIEQZGBAXKL-GWCFXTLKSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccsc1C ZINC000352946568 171156579 /nfs/dbraw/zinc/15/65/79/171156579.db2.gz MOPKIEQZGBAXKL-GXFFZTMASA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccsc1C ZINC000352946569 386975013 /nfs/dbraw/zinc/97/50/13/386975013.db2.gz MOPKIEQZGBAXKL-MFKMUULPSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccsc1C ZINC000352946571 171160517 /nfs/dbraw/zinc/16/05/17/171160517.db2.gz MOPKIEQZGBAXKL-ZWNOBZJWSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000352948518 386973601 /nfs/dbraw/zinc/97/36/01/386973601.db2.gz ULGKLNPQNZAQEG-LLVKDONJSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1sccc1C[N@H+]1CCCC[C@H](C)C1 ZINC000352948520 386973277 /nfs/dbraw/zinc/97/32/77/386973277.db2.gz ULGKLNPQNZAQEG-NSHDSACASA-N 1 0 223.385 3.679 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccsc1C ZINC000352954480 386973723 /nfs/dbraw/zinc/97/37/23/386973723.db2.gz SJEXNQAOWBHJSA-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)o1 ZINC000352959935 386976642 /nfs/dbraw/zinc/97/66/42/386976642.db2.gz BRIOUERDKZDUQC-HNNXBMFYSA-N 1 0 233.355 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)o1 ZINC000352959942 386976843 /nfs/dbraw/zinc/97/68/43/386976843.db2.gz BRIOUERDKZDUQC-OAHLLOKOSA-N 1 0 233.355 3.607 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1coc2ccccc12 ZINC000352960186 356645987 /nfs/dbraw/zinc/64/59/87/356645987.db2.gz CPRBOGOYTDXPGX-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC000352960301 176101518 /nfs/dbraw/zinc/10/15/18/176101518.db2.gz DXXJTCRROTWELI-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@H]1C ZINC000352960303 177101254 /nfs/dbraw/zinc/10/12/54/177101254.db2.gz DXXJTCRROTWELI-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(F)c1F ZINC000352960305 177102231 /nfs/dbraw/zinc/10/22/31/177102231.db2.gz DXXJTCRROTWELI-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC2(C)C)ccc1F ZINC000352961753 386977032 /nfs/dbraw/zinc/97/70/32/386977032.db2.gz JENOTYNQVOFYMT-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)[C@@H]1C ZINC000352962837 176100763 /nfs/dbraw/zinc/10/07/63/176100763.db2.gz OFOFGSAHGDFFMA-NXEZZACHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)[C@H]1C ZINC000352962840 177102008 /nfs/dbraw/zinc/10/20/08/177102008.db2.gz OFOFGSAHGDFFMA-UWVGGRQHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000352962844 177102625 /nfs/dbraw/zinc/10/26/25/177102625.db2.gz OFOFGSAHGDFFMA-VHSXEESVSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)[C@H]1C ZINC000352962852 386976880 /nfs/dbraw/zinc/97/68/80/386976880.db2.gz OFOFGSAHGDFFMA-ZJUUUORDSA-N 1 0 227.735 3.553 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)s1 ZINC000352963436 178570418 /nfs/dbraw/zinc/57/04/18/178570418.db2.gz PBYPGBINDWLORN-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)s1 ZINC000352963441 386976816 /nfs/dbraw/zinc/97/68/16/386976816.db2.gz PBYPGBINDWLORN-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000352963445 178568115 /nfs/dbraw/zinc/56/81/15/178568115.db2.gz PBYPGBINDWLORN-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)s1 ZINC000352963450 386976784 /nfs/dbraw/zinc/97/67/84/386976784.db2.gz PBYPGBINDWLORN-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC000352963608 176099599 /nfs/dbraw/zinc/09/95/99/176099599.db2.gz QAVXAQJUGHYNSR-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000352963609 386976347 /nfs/dbraw/zinc/97/63/47/386976347.db2.gz QAVXAQJUGHYNSR-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000352963614 177099636 /nfs/dbraw/zinc/09/96/36/177099636.db2.gz QAVXAQJUGHYNSR-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000352963617 177099569 /nfs/dbraw/zinc/09/95/69/177099569.db2.gz QAVXAQJUGHYNSR-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000352964245 167902815 /nfs/dbraw/zinc/90/28/15/167902815.db2.gz SFTFJIHOQYZPAN-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CC(C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000352970395 167139517 /nfs/dbraw/zinc/13/95/17/167139517.db2.gz UVTQICBFQTVBKZ-HNNXBMFYSA-N 1 0 233.330 3.760 20 0 BHADRO CC(C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000352970396 167135298 /nfs/dbraw/zinc/13/52/98/167135298.db2.gz UVTQICBFQTVBKZ-OAHLLOKOSA-N 1 0 233.330 3.760 20 0 BHADRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccoc1 ZINC000352975382 386981895 /nfs/dbraw/zinc/98/18/95/386981895.db2.gz UUWIQQBMIUQXQB-UHFFFAOYSA-N 1 0 249.741 3.608 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353036277 176118242 /nfs/dbraw/zinc/11/82/42/176118242.db2.gz QYWLGTHXPKOMIR-GHMZBOCLSA-N 1 0 249.320 3.745 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353036287 176138573 /nfs/dbraw/zinc/13/85/73/176138573.db2.gz QYWLGTHXPKOMIR-MNOVXSKESA-N 1 0 249.320 3.745 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353036291 177133663 /nfs/dbraw/zinc/13/36/63/177133663.db2.gz QYWLGTHXPKOMIR-QWRGUYRKSA-N 1 0 249.320 3.745 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353036292 177119475 /nfs/dbraw/zinc/11/94/75/177119475.db2.gz QYWLGTHXPKOMIR-WDEREUQCSA-N 1 0 249.320 3.745 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000353048415 387033475 /nfs/dbraw/zinc/03/34/75/387033475.db2.gz ANQFKXNTKPHYCU-UHFFFAOYSA-N 1 0 247.304 3.641 20 0 BHADRO CCCN(CC(F)F)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353055743 169109268 /nfs/dbraw/zinc/10/92/68/169109268.db2.gz HGFGYHYXUACQMM-CHWSQXEVSA-N 1 0 239.309 3.520 20 0 BHADRO CCC(CC)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000353062747 168360055 /nfs/dbraw/zinc/36/00/55/168360055.db2.gz KNMJNABSQSVYAZ-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO CSCc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000353064736 387035384 /nfs/dbraw/zinc/03/53/84/387035384.db2.gz RCLFKYAIMJBTBP-DOMZBBRYSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000353064737 387034731 /nfs/dbraw/zinc/03/47/31/387034731.db2.gz RCLFKYAIMJBTBP-IUODEOHRSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000353064739 387034365 /nfs/dbraw/zinc/03/43/65/387034365.db2.gz RCLFKYAIMJBTBP-SWLSCSKDSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000353064741 387035087 /nfs/dbraw/zinc/03/50/87/387035087.db2.gz RCLFKYAIMJBTBP-WFASDCNBSA-N 1 0 249.423 3.828 20 0 BHADRO CC1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000353080176 168162314 /nfs/dbraw/zinc/16/23/14/168162314.db2.gz BEQYKROWIKUJRH-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CCc1ccc(CNc2cc(C3CC3)ccn2)o1 ZINC000353081006 387103536 /nfs/dbraw/zinc/10/35/36/387103536.db2.gz NINCFNLVQNBONX-UHFFFAOYSA-N 1 0 242.322 3.727 20 0 BHADRO CCC[C@H](C)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000353082759 387113102 /nfs/dbraw/zinc/11/31/02/387113102.db2.gz GQMPGLIOANBNBZ-AWEZNQCLSA-N 1 0 246.398 3.529 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000353082760 169358572 /nfs/dbraw/zinc/35/85/72/169358572.db2.gz GQMPGLIOANBNBZ-CQSZACIVSA-N 1 0 246.398 3.529 20 0 BHADRO c1cc(C2CC2)cc(NC[C@H]2CC=CCC2)n1 ZINC000353084528 188061236 /nfs/dbraw/zinc/06/12/36/188061236.db2.gz UBCCMQKVSUTHMZ-LBPRGKRZSA-N 1 0 228.339 3.727 20 0 BHADRO CC(C)CCC[NH2+]CC1(c2ccccn2)CCC1 ZINC000353085916 387111887 /nfs/dbraw/zinc/11/18/87/387111887.db2.gz IKAAITGCHVFUJI-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO FC(F)(F)C1(C[NH2+]C[C@@H]2CC=CCC2)CCC1 ZINC000353093394 387115040 /nfs/dbraw/zinc/11/50/40/387115040.db2.gz HJUGVXBDLIJNDE-LLVKDONJSA-N 1 0 247.304 3.665 20 0 BHADRO FC(F)(F)C1(C[NH2+]C[C@H]2CC=CCC2)CCC1 ZINC000353093395 387114840 /nfs/dbraw/zinc/11/48/40/387114840.db2.gz HJUGVXBDLIJNDE-NSHDSACASA-N 1 0 247.304 3.665 20 0 BHADRO CSCc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000353096619 386280262 /nfs/dbraw/zinc/28/02/62/386280262.db2.gz ZGLAISOUSAMAQR-UHFFFAOYSA-N 1 0 249.423 3.829 20 0 BHADRO FC(F)(F)C1(C[NH2+]Cc2ccccc2)CCC1 ZINC000353100451 386615368 /nfs/dbraw/zinc/61/53/68/386615368.db2.gz URGKMCBGVYCCEX-UHFFFAOYSA-N 1 0 243.272 3.509 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1ccoc1 ZINC000353102678 398015282 /nfs/dbraw/zinc/01/52/82/398015282.db2.gz PKPUASAKSGQZBI-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000353115916 179346762 /nfs/dbraw/zinc/34/67/62/179346762.db2.gz FRSMXTQEZIMHHZ-AWEZNQCLSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000353115924 179327923 /nfs/dbraw/zinc/32/79/23/179327923.db2.gz FRSMXTQEZIMHHZ-CQSZACIVSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1cc2cc(C[NH2+]CC3(C)CCC3)ccc2[nH]1 ZINC000353117726 538735372 /nfs/dbraw/zinc/73/53/72/538735372.db2.gz JXHUNENZSWLHGN-UHFFFAOYSA-N 1 0 242.366 3.756 20 0 BHADRO CCC1(C)CC[NH+](Cc2occc2C)CC1 ZINC000353128165 387142082 /nfs/dbraw/zinc/14/20/82/387142082.db2.gz QSURFCBAILGWCW-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC000353132050 387141039 /nfs/dbraw/zinc/14/10/39/387141039.db2.gz ZWFOFQKALUNIFE-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO Cc1noc(C)c1C(C)(C)[NH2+]CCCC(C)C ZINC000353132804 397962588 /nfs/dbraw/zinc/96/25/88/397962588.db2.gz CVXCSPXKAHHRKJ-UHFFFAOYSA-N 1 0 238.375 3.552 20 0 BHADRO Cn1ccc(C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000353133690 387141897 /nfs/dbraw/zinc/14/18/97/387141897.db2.gz FOCKHUGRIDZEJB-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CC[C@@H](C)C3)ccc2[nH]1 ZINC000353134045 178294512 /nfs/dbraw/zinc/29/45/12/178294512.db2.gz GZDPFYOZHUGUFD-ABAIWWIYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H](C)C3)ccc2[nH]1 ZINC000353134336 178293922 /nfs/dbraw/zinc/29/39/22/178293922.db2.gz GZDPFYOZHUGUFD-IAQYHMDHSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CC[C@H](C)C3)ccc2[nH]1 ZINC000353134341 178294036 /nfs/dbraw/zinc/29/40/36/178294036.db2.gz GZDPFYOZHUGUFD-NHYWBVRUSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CC[C@H](C)C3)ccc2[nH]1 ZINC000353134343 178294801 /nfs/dbraw/zinc/29/48/01/178294801.db2.gz GZDPFYOZHUGUFD-XHDPSFHLSA-N 1 0 242.366 3.755 20 0 BHADRO c1coc(C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000353137042 387142449 /nfs/dbraw/zinc/14/24/49/387142449.db2.gz LTYUILVVMLPSGC-UHFFFAOYSA-N 1 0 233.355 3.826 20 0 BHADRO Cn1cccc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000353144076 386649597 /nfs/dbraw/zinc/64/95/97/386649597.db2.gz IEMKDJUPZLESGX-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000353145615 387145586 /nfs/dbraw/zinc/14/55/86/387145586.db2.gz WOPHHICBRXAJAY-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@H]2CC=CCC2)cn1 ZINC000353162884 386627823 /nfs/dbraw/zinc/62/78/23/386627823.db2.gz BCTLMKUSBAGUDM-AWEZNQCLSA-N 1 0 244.382 3.571 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@@H]2CC=CCC2)cn1 ZINC000353162885 178452826 /nfs/dbraw/zinc/45/28/26/178452826.db2.gz BCTLMKUSBAGUDM-CQSZACIVSA-N 1 0 244.382 3.571 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353184362 386211387 /nfs/dbraw/zinc/21/13/87/386211387.db2.gz AUFRDHLSSLDJJC-ITKZLYELSA-N 1 0 243.354 3.570 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353184365 386211178 /nfs/dbraw/zinc/21/11/78/386211178.db2.gz AUFRDHLSSLDJJC-QMAVJUDZSA-N 1 0 243.354 3.570 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353184368 386209817 /nfs/dbraw/zinc/20/98/17/386209817.db2.gz AUFRDHLSSLDJJC-RXNFCKPNSA-N 1 0 243.354 3.570 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353184369 167846915 /nfs/dbraw/zinc/84/69/15/167846915.db2.gz AUFRDHLSSLDJJC-ZYOFXKKJSA-N 1 0 243.354 3.570 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000353192088 387151995 /nfs/dbraw/zinc/15/19/95/387151995.db2.gz BAEFERGDXFNCAJ-BXUZGUMPSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000353192089 387152956 /nfs/dbraw/zinc/15/29/56/387152956.db2.gz BAEFERGDXFNCAJ-FZMZJTMJSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000353192090 387152368 /nfs/dbraw/zinc/15/23/68/387152368.db2.gz BAEFERGDXFNCAJ-RISCZKNCSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000353192091 387152710 /nfs/dbraw/zinc/15/27/10/387152710.db2.gz BAEFERGDXFNCAJ-SMDDNHRTSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)C1CCC(C)CC1 ZINC000353195773 385695310 /nfs/dbraw/zinc/69/53/10/385695310.db2.gz DQIIFBXECNEGLA-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000353203260 387156504 /nfs/dbraw/zinc/15/65/04/387156504.db2.gz LMIJTXJZZHXYIZ-GWCFXTLKSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000353203261 387155069 /nfs/dbraw/zinc/15/50/69/387155069.db2.gz LMIJTXJZZHXYIZ-GXFFZTMASA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000353203262 387155260 /nfs/dbraw/zinc/15/52/60/387155260.db2.gz LMIJTXJZZHXYIZ-MFKMUULPSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000353203263 387156253 /nfs/dbraw/zinc/15/62/53/387156253.db2.gz LMIJTXJZZHXYIZ-ZWNOBZJWSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000353204542 398109711 /nfs/dbraw/zinc/10/97/11/398109711.db2.gz NHHGWABZLSERPB-LLVKDONJSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1sccc1C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000353204543 180563974 /nfs/dbraw/zinc/56/39/74/180563974.db2.gz NHHGWABZLSERPB-NSHDSACASA-N 1 0 235.396 3.821 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2cccnc2)CC1 ZINC000353205053 387158033 /nfs/dbraw/zinc/15/80/33/387158033.db2.gz DFZPGQCFGFLZGE-UHFFFAOYSA-N 1 0 246.398 3.920 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000353205114 168455999 /nfs/dbraw/zinc/45/59/99/168455999.db2.gz FAGBQWYFAUCUKL-UHFFFAOYSA-N 1 0 234.387 3.853 20 0 BHADRO CCC1(CC)CCC([NH2+]C2CCOCC2)CC1 ZINC000353207661 387157764 /nfs/dbraw/zinc/15/77/64/387157764.db2.gz JLJCNRNEMHTBEI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2ccccn2)CC1 ZINC000353210676 387157927 /nfs/dbraw/zinc/15/79/27/387157927.db2.gz QTFDINQVINSMHP-UHFFFAOYSA-N 1 0 246.398 3.920 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000353212433 387158639 /nfs/dbraw/zinc/15/86/39/387158639.db2.gz XGEZFAUNZRZZBJ-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1C ZINC000353212957 179221182 /nfs/dbraw/zinc/22/11/82/179221182.db2.gz YNJSEVJLMJASOC-CQDKDKBSSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1C ZINC000353212958 179220934 /nfs/dbraw/zinc/22/09/34/179220934.db2.gz YNJSEVJLMJASOC-DFBGVHRSSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1C ZINC000353212959 179220733 /nfs/dbraw/zinc/22/07/33/179220733.db2.gz YNJSEVJLMJASOC-GLQYFDAESA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC[C@H]1C ZINC000353212960 179221100 /nfs/dbraw/zinc/22/11/00/179221100.db2.gz YNJSEVJLMJASOC-UGFHNGPFSA-N 1 0 245.366 3.597 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2ccncc2)CC1 ZINC000353212979 168455424 /nfs/dbraw/zinc/45/54/24/168455424.db2.gz YXBGXLSDYMSAKK-UHFFFAOYSA-N 1 0 246.398 3.920 20 0 BHADRO Cc1sccc1C[N@@H+]1CCCC12CCC2 ZINC000353226212 386549728 /nfs/dbraw/zinc/54/97/28/386549728.db2.gz FZMXXWZLTKEREF-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO Cc1sccc1C[N@@H+](C)C1(C)CCCC1 ZINC000353227091 387160395 /nfs/dbraw/zinc/16/03/95/387160395.db2.gz FSCQKIJLWXTHSN-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353231388 386794455 /nfs/dbraw/zinc/79/44/55/386794455.db2.gz JFLGSVVHCXPGDX-GXTWGEPZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCC12CCCC2 ZINC000353231391 386794515 /nfs/dbraw/zinc/79/45/15/386794515.db2.gz JFLGSVVHCXPGDX-JSGCOSHPSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC12CCCC2 ZINC000353231392 386792274 /nfs/dbraw/zinc/79/22/74/386792274.db2.gz JFLGSVVHCXPGDX-OCCSQVGLSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353231394 386792861 /nfs/dbraw/zinc/79/28/61/386792861.db2.gz JFLGSVVHCXPGDX-TZMCWYRMSA-N 1 0 233.355 3.523 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353233592 179500612 /nfs/dbraw/zinc/50/06/12/179500612.db2.gz NIJSVJXVHKDLHJ-DZGCQCFKSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353233598 387164655 /nfs/dbraw/zinc/16/46/55/387164655.db2.gz NIJSVJXVHKDLHJ-HIFRSBDPSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353233600 179496829 /nfs/dbraw/zinc/49/68/29/179496829.db2.gz NIJSVJXVHKDLHJ-UKRRQHHQSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353233602 387163078 /nfs/dbraw/zinc/16/30/78/387163078.db2.gz NIJSVJXVHKDLHJ-ZFWWWQNUSA-N 1 0 244.382 3.763 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353235296 168365072 /nfs/dbraw/zinc/36/50/72/168365072.db2.gz JJFBUSOKJVERNB-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353235297 168363528 /nfs/dbraw/zinc/36/35/28/168363528.db2.gz JJFBUSOKJVERNB-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1sccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000353256646 387165831 /nfs/dbraw/zinc/16/58/31/387165831.db2.gz IGWZFLUAYASUDJ-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1nccc2ccccc21 ZINC000353259414 387166065 /nfs/dbraw/zinc/16/60/65/387166065.db2.gz ADXFIMHTBGUFCF-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1nccc2ccccc21 ZINC000353259417 176836077 /nfs/dbraw/zinc/83/60/77/176836077.db2.gz ADXFIMHTBGUFCF-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO CSc1ccc(N[C@@H]2CCC23CCCC3)nc1 ZINC000353265725 188061306 /nfs/dbraw/zinc/06/13/06/188061306.db2.gz AQZASLOYXJIHSO-GFCCVEGCSA-N 1 0 248.395 3.938 20 0 BHADRO CC[N@@H+](Cc1ccsc1C)CC1CCC1 ZINC000353268521 134118305 /nfs/dbraw/zinc/11/83/05/134118305.db2.gz RKRVJDCFAGSEPB-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)C1CCC(F)(F)CC1 ZINC000353272102 387169273 /nfs/dbraw/zinc/16/92/73/387169273.db2.gz NYHRYONUIHWHQP-JTQLQIEISA-N 1 0 243.297 3.583 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)C1CCC(F)(F)CC1 ZINC000353272103 387167522 /nfs/dbraw/zinc/16/75/22/387167522.db2.gz NYHRYONUIHWHQP-SNVBAGLBSA-N 1 0 243.297 3.583 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)no1 ZINC000353279877 178256363 /nfs/dbraw/zinc/25/63/63/178256363.db2.gz YPPOGZBLRAGSMT-IGQOVBAYSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)no1 ZINC000353279878 178255614 /nfs/dbraw/zinc/25/56/14/178255614.db2.gz YPPOGZBLRAGSMT-REWJHTLYSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)no1 ZINC000353279879 178255458 /nfs/dbraw/zinc/25/54/58/178255458.db2.gz YPPOGZBLRAGSMT-RFQIPJPRSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)no1 ZINC000353279880 178254757 /nfs/dbraw/zinc/25/47/57/178254757.db2.gz YPPOGZBLRAGSMT-XDQVBPFNSA-N 1 0 248.370 3.602 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1nccc2ccccc21 ZINC000353280055 387171318 /nfs/dbraw/zinc/17/13/18/387171318.db2.gz ZLJVKFMZVWNAGI-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1nccc2ccccc21 ZINC000353280056 387172143 /nfs/dbraw/zinc/17/21/43/387172143.db2.gz ZLJVKFMZVWNAGI-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO Cc1sccc1C[N@H+](CC1CC1)C1CCC1 ZINC000353282784 387170294 /nfs/dbraw/zinc/17/02/94/387170294.db2.gz LQJOFZNJWVJUPE-UHFFFAOYSA-N 1 0 235.396 3.821 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000353284940 387173445 /nfs/dbraw/zinc/17/34/45/387173445.db2.gz GEZCJWOQDSXNHY-NEPJUHHUSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000353284941 171362222 /nfs/dbraw/zinc/36/22/22/171362222.db2.gz GEZCJWOQDSXNHY-NWDGAFQWSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000353284942 171386407 /nfs/dbraw/zinc/38/64/07/171386407.db2.gz GEZCJWOQDSXNHY-RYUDHWBXSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000353284943 387174308 /nfs/dbraw/zinc/17/43/08/387174308.db2.gz GEZCJWOQDSXNHY-VXGBXAGGSA-N 1 0 221.344 3.679 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000353286368 168085639 /nfs/dbraw/zinc/08/56/39/168085639.db2.gz LMZVZEUEAUONDW-UHFFFAOYSA-N 1 0 221.369 3.599 20 0 BHADRO Cc1sccc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000353286612 187207777 /nfs/dbraw/zinc/20/77/77/187207777.db2.gz MNUQKCMJONIIEJ-UHFFFAOYSA-N 1 0 243.375 3.881 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccc(C)s2)o1 ZINC000353287845 387174885 /nfs/dbraw/zinc/17/48/85/387174885.db2.gz SQQRJAQKNJFPRN-UHFFFAOYSA-N 1 0 249.379 3.844 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000353291202 183373640 /nfs/dbraw/zinc/37/36/40/183373640.db2.gz NGDUUQQTAFIQID-DZGCQCFKSA-N 1 0 245.366 3.969 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000353291203 183372804 /nfs/dbraw/zinc/37/28/04/183372804.db2.gz NGDUUQQTAFIQID-HIFRSBDPSA-N 1 0 245.366 3.969 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000353291204 183372925 /nfs/dbraw/zinc/37/29/25/183372925.db2.gz NGDUUQQTAFIQID-UKRRQHHQSA-N 1 0 245.366 3.969 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000353291205 183373024 /nfs/dbraw/zinc/37/30/24/183373024.db2.gz NGDUUQQTAFIQID-ZFWWWQNUSA-N 1 0 245.366 3.969 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)C1CC1 ZINC000353301574 350832509 /nfs/dbraw/zinc/83/25/09/350832509.db2.gz AXPLFLOTRZYGSY-CABCVRRESA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)C1CC1 ZINC000353301575 386632358 /nfs/dbraw/zinc/63/23/58/386632358.db2.gz AXPLFLOTRZYGSY-GJZGRUSLSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)C1CC1 ZINC000353301576 170910592 /nfs/dbraw/zinc/91/05/92/170910592.db2.gz AXPLFLOTRZYGSY-HUUCEWRRSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)C1CC1 ZINC000353301577 386631646 /nfs/dbraw/zinc/63/16/46/386631646.db2.gz AXPLFLOTRZYGSY-LSDHHAIUSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)C(C)C ZINC000353304766 350835587 /nfs/dbraw/zinc/83/55/87/350835587.db2.gz LGVIPZHZZQSSJT-CABCVRRESA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)C(C)C ZINC000353304772 386652154 /nfs/dbraw/zinc/65/21/54/386652154.db2.gz LGVIPZHZZQSSJT-GJZGRUSLSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)C(C)C ZINC000353304773 170910457 /nfs/dbraw/zinc/91/04/57/170910457.db2.gz LGVIPZHZZQSSJT-HUUCEWRRSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)C(C)C ZINC000353304774 171542077 /nfs/dbraw/zinc/54/20/77/171542077.db2.gz LGVIPZHZZQSSJT-LSDHHAIUSA-N 1 0 247.382 3.843 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)C1CCC(F)(F)CC1 ZINC000353317368 387178087 /nfs/dbraw/zinc/17/80/87/387178087.db2.gz WPSVKUNVWHHAQF-JTQLQIEISA-N 1 0 243.297 3.583 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)C1CCC(F)(F)CC1 ZINC000353317369 387179330 /nfs/dbraw/zinc/17/93/30/387179330.db2.gz WPSVKUNVWHHAQF-SNVBAGLBSA-N 1 0 243.297 3.583 20 0 BHADRO COCc1cccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000353321450 387181291 /nfs/dbraw/zinc/18/12/91/387181291.db2.gz QLNHMKKQIBUFMX-KBPBESRZSA-N 1 0 247.382 3.596 20 0 BHADRO COCc1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000353321451 387180312 /nfs/dbraw/zinc/18/03/12/387180312.db2.gz QLNHMKKQIBUFMX-OKILXGFUSA-N 1 0 247.382 3.596 20 0 BHADRO COCc1cccc(C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000353321452 386778796 /nfs/dbraw/zinc/77/87/96/386778796.db2.gz QLNHMKKQIBUFMX-ZIAGYGMSSA-N 1 0 247.382 3.596 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1N(C)C ZINC000353329527 177132262 /nfs/dbraw/zinc/13/22/62/177132262.db2.gz IMUCJXNZZSQQDS-KBPBESRZSA-N 1 0 246.398 3.516 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1N(C)C ZINC000353329529 177116971 /nfs/dbraw/zinc/11/69/71/177116971.db2.gz IMUCJXNZZSQQDS-OKILXGFUSA-N 1 0 246.398 3.516 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1N(C)C ZINC000353329530 176116152 /nfs/dbraw/zinc/11/61/52/176116152.db2.gz IMUCJXNZZSQQDS-ZIAGYGMSSA-N 1 0 246.398 3.516 20 0 BHADRO COc1c2ccccc2oc1C[NH2+][C@H](C)C(C)C ZINC000353335454 387182466 /nfs/dbraw/zinc/18/24/66/387182466.db2.gz QTSGHKMGQKYPSY-LLVKDONJSA-N 1 0 247.338 3.576 20 0 BHADRO COc1c2ccccc2oc1C[NH2+][C@@H](C)C(C)C ZINC000353335455 387183659 /nfs/dbraw/zinc/18/36/59/387183659.db2.gz QTSGHKMGQKYPSY-NSHDSACASA-N 1 0 247.338 3.576 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353340944 171390769 /nfs/dbraw/zinc/39/07/69/171390769.db2.gz DWXWZDVZXYNKDJ-CORIIIEPSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353340954 171367471 /nfs/dbraw/zinc/36/74/71/171367471.db2.gz DWXWZDVZXYNKDJ-LNSITVRQSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353340963 171366706 /nfs/dbraw/zinc/36/67/06/171366706.db2.gz DWXWZDVZXYNKDJ-NJZAAPMLSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353340970 171391619 /nfs/dbraw/zinc/39/16/19/171391619.db2.gz DWXWZDVZXYNKDJ-WHOFXGATSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000353347335 387184880 /nfs/dbraw/zinc/18/48/80/387184880.db2.gz CIAYGOLWTZVYFL-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C(C)(C)C ZINC000353351101 179220626 /nfs/dbraw/zinc/22/06/26/179220626.db2.gz MJHVYEZEZKYDDC-GXTWGEPZSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C(C)(C)C ZINC000353351102 179221661 /nfs/dbraw/zinc/22/16/61/179221661.db2.gz MJHVYEZEZKYDDC-JSGCOSHPSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C(C)(C)C ZINC000353351103 179220616 /nfs/dbraw/zinc/22/06/16/179220616.db2.gz MJHVYEZEZKYDDC-OCCSQVGLSA-N 1 0 247.382 3.843 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C(C)(C)C ZINC000353351105 179221637 /nfs/dbraw/zinc/22/16/37/179221637.db2.gz MJHVYEZEZKYDDC-TZMCWYRMSA-N 1 0 247.382 3.843 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cnccc2C)CC1 ZINC000353361525 168516557 /nfs/dbraw/zinc/51/65/57/168516557.db2.gz BFUSFSMMPAYELF-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C1CCCCCC1 ZINC000353362194 387186500 /nfs/dbraw/zinc/18/65/00/387186500.db2.gz FPOGNMSYPQCICM-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000353381387 387192696 /nfs/dbraw/zinc/19/26/96/387192696.db2.gz NPBNZZJOUAPUFI-INIZCTEOSA-N 1 0 246.398 3.587 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000353381388 356710396 /nfs/dbraw/zinc/71/03/96/356710396.db2.gz NPBNZZJOUAPUFI-MRXNPFEDSA-N 1 0 246.398 3.587 20 0 BHADRO c1cc2cccc(C[NH+]3Cc4ccccc4C3)c2[nH]1 ZINC000353381923 183447513 /nfs/dbraw/zinc/44/75/13/183447513.db2.gz BDQPTEWJHRZHCJ-UHFFFAOYSA-N 1 0 248.329 3.684 20 0 BHADRO Cc1ccncc1C[NH+](CC(C)C)CC(C)C ZINC000353383737 179480803 /nfs/dbraw/zinc/48/08/03/179480803.db2.gz SLSRDVNXHOPUHL-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000353389548 179084430 /nfs/dbraw/zinc/08/44/30/179084430.db2.gz WJRAUNLKWKKKHE-UHFFFAOYSA-N 1 0 223.319 3.511 20 0 BHADRO Clc1ccc(CN2Cc3ccccc3C2)cc1 ZINC000353393322 387195593 /nfs/dbraw/zinc/19/55/93/387195593.db2.gz JCYIRYJUXVLWFX-UHFFFAOYSA-N 1 0 243.737 3.856 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)o1 ZINC000353395454 387195474 /nfs/dbraw/zinc/19/54/74/387195474.db2.gz PJWHCFGGNFJOBX-CYBMUJFWSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)o1 ZINC000353395455 387194593 /nfs/dbraw/zinc/19/45/93/387194593.db2.gz PJWHCFGGNFJOBX-ZDUSSCGKSA-N 1 0 241.334 3.707 20 0 BHADRO Clc1cccc(CN2Cc3ccccc3C2)c1 ZINC000353395519 387195929 /nfs/dbraw/zinc/19/59/29/387195929.db2.gz QHEMYCDHYSIPMZ-UHFFFAOYSA-N 1 0 243.737 3.856 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000353403943 538740970 /nfs/dbraw/zinc/74/09/70/538740970.db2.gz NXYSNDDVEUVPQD-HZSPNIEDSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353403944 538740262 /nfs/dbraw/zinc/74/02/62/538740262.db2.gz NXYSNDDVEUVPQD-IHRRRGAJSA-N 1 0 249.402 3.665 20 0 BHADRO c1oc2ccccc2c1C[NH+]1Cc2ccccc2C1 ZINC000353404068 387195391 /nfs/dbraw/zinc/19/53/91/387195391.db2.gz LVQPDWPVCMYPND-UHFFFAOYSA-N 1 0 249.313 3.949 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353404234 538739527 /nfs/dbraw/zinc/73/95/27/538739527.db2.gz NXYSNDDVEUVPQD-MELADBBJSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000353404239 538739308 /nfs/dbraw/zinc/73/93/08/538739308.db2.gz NXYSNDDVEUVPQD-RDBSUJKOSA-N 1 0 249.402 3.665 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000353407308 387195652 /nfs/dbraw/zinc/19/56/52/387195652.db2.gz RVFLPMHWXSTZSI-CYBMUJFWSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000353407313 387194232 /nfs/dbraw/zinc/19/42/32/387194232.db2.gz RVFLPMHWXSTZSI-ZDUSSCGKSA-N 1 0 241.334 3.707 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccsc1 ZINC000353408560 387197796 /nfs/dbraw/zinc/19/77/96/387197796.db2.gz UABNQCGLLNCBJY-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccsc1 ZINC000353408561 387197322 /nfs/dbraw/zinc/19/73/22/387197322.db2.gz UABNQCGLLNCBJY-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO Cc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000353408718 179276558 /nfs/dbraw/zinc/27/65/58/179276558.db2.gz UZDJZIQFJBPBSY-UHFFFAOYSA-N 1 0 223.319 3.511 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000353412016 387198025 /nfs/dbraw/zinc/19/80/25/387198025.db2.gz ZISJXTSITDMFIQ-HRDQMINSSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000353412017 387197273 /nfs/dbraw/zinc/19/72/73/387197273.db2.gz ZISJXTSITDMFIQ-QRMWWUJWSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCCc2ccccc2C1 ZINC000353416174 387197458 /nfs/dbraw/zinc/19/74/58/387197458.db2.gz LVEKVBGBTYEWPH-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO c1cc(C[NH+]2CCC3(CCCC3)CC2)cs1 ZINC000353416652 183339533 /nfs/dbraw/zinc/33/95/33/183339533.db2.gz PMKRZMWWEATKAS-UHFFFAOYSA-N 1 0 235.396 3.904 20 0 BHADRO c1cc(C[N@@H+]2CCCc3ccccc3C2)cs1 ZINC000353418280 387197905 /nfs/dbraw/zinc/19/79/05/387197905.db2.gz CDJUNINTWVJHEH-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCc3ccccc3C2)o1 ZINC000353419218 487662067 /nfs/dbraw/zinc/66/20/67/487662067.db2.gz BFZSYNNADCZFTR-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)o1 ZINC000353419929 386126248 /nfs/dbraw/zinc/12/62/48/386126248.db2.gz DWLJAIHEKSOFRS-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO Cc1ccoc1C[NH+]1CCC2(CCCC2)CC1 ZINC000353421957 387198516 /nfs/dbraw/zinc/19/85/16/387198516.db2.gz MAHLQRKEOUMXGR-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO Cc1ccc(CCC[N@@H+](CC(C)C)C(C)C)cn1 ZINC000353436642 387201380 /nfs/dbraw/zinc/20/13/80/387201380.db2.gz IBTPHYFKSKRNNK-UHFFFAOYSA-N 1 0 248.414 3.689 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000353437942 170369650 /nfs/dbraw/zinc/36/96/50/170369650.db2.gz GEAPHYWVJAODQI-INIZCTEOSA-N 1 0 249.398 3.852 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000353437946 170369473 /nfs/dbraw/zinc/36/94/73/170369473.db2.gz GEAPHYWVJAODQI-MRXNPFEDSA-N 1 0 249.398 3.852 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000353440537 398045720 /nfs/dbraw/zinc/04/57/20/398045720.db2.gz KWQFHKQDQRNUEM-CYBMUJFWSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000353440538 398045756 /nfs/dbraw/zinc/04/57/56/398045756.db2.gz KWQFHKQDQRNUEM-ZDUSSCGKSA-N 1 0 221.344 3.599 20 0 BHADRO Cn1ccc(C[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000353440665 386687837 /nfs/dbraw/zinc/68/78/37/386687837.db2.gz ZQQJKOIBSFSEDH-UHFFFAOYSA-N 1 0 246.398 3.570 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C)(C)CC2)s1 ZINC000353442177 387202205 /nfs/dbraw/zinc/20/22/05/387202205.db2.gz OOVIXOZPOISRRK-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353442954 642842628 /nfs/dbraw/zinc/84/26/28/642842628.db2.gz DOSQHFXYYBQLLV-GXTWGEPZSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353442956 642842278 /nfs/dbraw/zinc/84/22/78/642842278.db2.gz DOSQHFXYYBQLLV-JSGCOSHPSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353442958 642842294 /nfs/dbraw/zinc/84/22/94/642842294.db2.gz DOSQHFXYYBQLLV-OCCSQVGLSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353442960 642842322 /nfs/dbraw/zinc/84/23/22/642842322.db2.gz DOSQHFXYYBQLLV-TZMCWYRMSA-N 1 0 249.402 3.593 20 0 BHADRO CCC[N@H+](CCCc1ccc(C)nc1)CC(C)C ZINC000353443417 169156703 /nfs/dbraw/zinc/15/67/03/169156703.db2.gz BUYAXWOPWZRDPH-UHFFFAOYSA-N 1 0 248.414 3.691 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cnccc1C ZINC000353444675 168350146 /nfs/dbraw/zinc/35/01/46/168350146.db2.gz CCQNJHVVGYZTGF-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000353444730 387201181 /nfs/dbraw/zinc/20/11/81/387201181.db2.gz CIFZWLMKEDDXHR-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000353444732 387202846 /nfs/dbraw/zinc/20/28/46/387202846.db2.gz CIFZWLMKEDDXHR-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO CC1(C)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000353445859 356711355 /nfs/dbraw/zinc/71/13/55/356711355.db2.gz IYPLDLJRMGHGSJ-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO c1cc(C[N@@H+](CC2CC2)C2CCCCC2)co1 ZINC000353446680 183338642 /nfs/dbraw/zinc/33/86/42/183338642.db2.gz KAGQIOVUHSUAJH-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO CC[N@H+](CCCc1ccc(C)nc1)[C@@H](C)C(C)C ZINC000353448005 387205263 /nfs/dbraw/zinc/20/52/63/387205263.db2.gz MIQUEEGJYDFEOJ-HNNXBMFYSA-N 1 0 248.414 3.689 20 0 BHADRO CC[N@H+](CCCc1ccc(C)nc1)[C@H](C)C(C)C ZINC000353448008 387204272 /nfs/dbraw/zinc/20/42/72/387204272.db2.gz MIQUEEGJYDFEOJ-OAHLLOKOSA-N 1 0 248.414 3.689 20 0 BHADRO Cc1ccncc1C[N@@H+](C(C)C)C1CCCC1 ZINC000353449374 387204614 /nfs/dbraw/zinc/20/46/14/387204614.db2.gz QFZSGEWORTTXAE-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCCCC[N@H+](Cc1cnccc1C)C(C)C ZINC000353450964 387205203 /nfs/dbraw/zinc/20/52/03/387205203.db2.gz VZIQEXOOAPTCLM-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)o1 ZINC000353451766 387205014 /nfs/dbraw/zinc/20/50/14/387205014.db2.gz YFBXMGCQYCYGEJ-CYBMUJFWSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)o1 ZINC000353451767 387205004 /nfs/dbraw/zinc/20/50/04/387205004.db2.gz YFBXMGCQYCYGEJ-ZDUSSCGKSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000353452293 387205098 /nfs/dbraw/zinc/20/50/98/387205098.db2.gz VTCSRLHXQUMKNK-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000353452296 179483747 /nfs/dbraw/zinc/48/37/47/179483747.db2.gz VTCSRLHXQUMKNK-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccncc1C[N@@H+](CC(C)C)C1CCCC1 ZINC000353453313 387204633 /nfs/dbraw/zinc/20/46/33/387204633.db2.gz ZBKAKOFUOFIPRQ-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000353453677 385682773 /nfs/dbraw/zinc/68/27/73/385682773.db2.gz GNCUBZUAWHMMDG-CYBMUJFWSA-N 1 0 229.323 3.515 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000353453678 385682648 /nfs/dbraw/zinc/68/26/48/385682648.db2.gz GNCUBZUAWHMMDG-ZDUSSCGKSA-N 1 0 229.323 3.515 20 0 BHADRO CC1(C)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000353454265 356711545 /nfs/dbraw/zinc/71/15/45/356711545.db2.gz JCQDOTUGWCQFIV-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000353455682 134163749 /nfs/dbraw/zinc/16/37/49/134163749.db2.gz ROYLFYALNBQKDB-GFCCVEGCSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000353455683 535075533 /nfs/dbraw/zinc/07/55/33/535075533.db2.gz ROYLFYALNBQKDB-LBPRGKRZSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353457010 642843366 /nfs/dbraw/zinc/84/33/66/642843366.db2.gz XZSQGGHHFHIUOT-GXTWGEPZSA-N 1 0 249.402 3.592 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353457011 642843729 /nfs/dbraw/zinc/84/37/29/642843729.db2.gz XZSQGGHHFHIUOT-JSGCOSHPSA-N 1 0 249.402 3.592 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353457012 642843496 /nfs/dbraw/zinc/84/34/96/642843496.db2.gz XZSQGGHHFHIUOT-OCCSQVGLSA-N 1 0 249.402 3.592 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353457013 642843053 /nfs/dbraw/zinc/84/30/53/642843053.db2.gz XZSQGGHHFHIUOT-TZMCWYRMSA-N 1 0 249.402 3.592 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000353459701 538743248 /nfs/dbraw/zinc/74/32/48/538743248.db2.gz ICENBFHOUFCMFO-FPMFFAJLSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000353459702 538744123 /nfs/dbraw/zinc/74/41/23/538744123.db2.gz ICENBFHOUFCMFO-IACUBPJLSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000353459703 538744487 /nfs/dbraw/zinc/74/44/87/538744487.db2.gz ICENBFHOUFCMFO-UBHSHLNASA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000353459704 538744297 /nfs/dbraw/zinc/74/42/97/538744297.db2.gz ICENBFHOUFCMFO-YUTCNCBUSA-N 1 0 233.355 3.681 20 0 BHADRO CC1(C)CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000353459752 356711383 /nfs/dbraw/zinc/71/13/83/356711383.db2.gz IREGQEGEKFBOCO-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO COCc1cccc(C[N@@H+]2CCCCC[C@@H]2C)c1 ZINC000353463948 387208158 /nfs/dbraw/zinc/20/81/58/387208158.db2.gz OEADIWYYJGYRRB-AWEZNQCLSA-N 1 0 247.382 3.598 20 0 BHADRO COCc1cccc(C[N@@H+]2CCCCC[C@H]2C)c1 ZINC000353463951 387206394 /nfs/dbraw/zinc/20/63/94/387206394.db2.gz OEADIWYYJGYRRB-CQSZACIVSA-N 1 0 247.382 3.598 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000353472958 176064114 /nfs/dbraw/zinc/06/41/14/176064114.db2.gz RCMJPFPPCFXTGY-LLVKDONJSA-N 1 0 209.358 3.513 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000353472959 177070564 /nfs/dbraw/zinc/07/05/64/177070564.db2.gz RCMJPFPPCFXTGY-NSHDSACASA-N 1 0 209.358 3.513 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353499150 642857812 /nfs/dbraw/zinc/85/78/12/642857812.db2.gz TUYYJCFZFDPIFG-CYBMUJFWSA-N 1 0 249.402 3.593 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353499151 642858153 /nfs/dbraw/zinc/85/81/53/642858153.db2.gz TUYYJCFZFDPIFG-ZDUSSCGKSA-N 1 0 249.402 3.593 20 0 BHADRO COc1ccsc1C[N@@H+]1CCCCC[C@H]1C ZINC000353505681 175376801 /nfs/dbraw/zinc/37/68/01/175376801.db2.gz LJNBOMBFCOQZJD-LLVKDONJSA-N 1 0 239.384 3.521 20 0 BHADRO COc1ccsc1C[N@@H+]1CCCCC[C@@H]1C ZINC000353505682 175377389 /nfs/dbraw/zinc/37/73/89/175377389.db2.gz LJNBOMBFCOQZJD-NSHDSACASA-N 1 0 239.384 3.521 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccs1 ZINC000353508096 176063810 /nfs/dbraw/zinc/06/38/10/176063810.db2.gz PQLIIBQBSIRCEI-LLVKDONJSA-N 1 0 209.358 3.513 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccs1 ZINC000353508097 177070263 /nfs/dbraw/zinc/07/02/63/177070263.db2.gz PQLIIBQBSIRCEI-NSHDSACASA-N 1 0 209.358 3.513 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1cccc(C)c1 ZINC000353510867 366789453 /nfs/dbraw/zinc/78/94/53/366789453.db2.gz AGLFOFDPPYUBJC-CVEARBPZSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1cccc(C)c1 ZINC000353510868 171528038 /nfs/dbraw/zinc/52/80/38/171528038.db2.gz AGLFOFDPPYUBJC-HOTGVXAUSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1cccc(C)c1 ZINC000353510869 170898745 /nfs/dbraw/zinc/89/87/45/170898745.db2.gz AGLFOFDPPYUBJC-HZPDHXFCSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1cccc(C)c1 ZINC000353510871 388542188 /nfs/dbraw/zinc/54/21/88/388542188.db2.gz AGLFOFDPPYUBJC-JKSUJKDBSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccncc1 ZINC000353514623 538746650 /nfs/dbraw/zinc/74/66/50/538746650.db2.gz CMCGPEFESQXXLW-ILXRZTDVSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccncc1 ZINC000353514630 538747045 /nfs/dbraw/zinc/74/70/45/538747045.db2.gz CMCGPEFESQXXLW-KKUMJFAQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccncc1 ZINC000353514631 538746366 /nfs/dbraw/zinc/74/63/66/538746366.db2.gz CMCGPEFESQXXLW-QLFBSQMISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccncc1 ZINC000353514632 538747042 /nfs/dbraw/zinc/74/70/42/538747042.db2.gz CMCGPEFESQXXLW-SOUVJXGZSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000353515288 387219666 /nfs/dbraw/zinc/21/96/66/387219666.db2.gz DMEFGJQZVWTLQH-JTQLQIEISA-N 1 0 223.385 3.677 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000353515289 387221761 /nfs/dbraw/zinc/22/17/61/387221761.db2.gz DMEFGJQZVWTLQH-SNVBAGLBSA-N 1 0 223.385 3.677 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@H](C)c1ncc[nH]1 ZINC000353516261 538747267 /nfs/dbraw/zinc/74/72/67/538747267.db2.gz GKCJNZOPIPWLOH-CHWSQXEVSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353516262 538747388 /nfs/dbraw/zinc/74/73/88/538747388.db2.gz GKCJNZOPIPWLOH-OLZOCXBDSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CCCCC1)c1ncc[nH]1 ZINC000353516263 538746622 /nfs/dbraw/zinc/74/66/22/538746622.db2.gz GKCJNZOPIPWLOH-QWHCGFSZSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353516265 538746824 /nfs/dbraw/zinc/74/68/24/538746824.db2.gz GKCJNZOPIPWLOH-STQMWFEESA-N 1 0 249.402 3.809 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353517476 642863654 /nfs/dbraw/zinc/86/36/54/642863654.db2.gz IWAABDGUAVOEGP-GXTWGEPZSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353517479 642863837 /nfs/dbraw/zinc/86/38/37/642863837.db2.gz IWAABDGUAVOEGP-JSGCOSHPSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353517481 642863711 /nfs/dbraw/zinc/86/37/11/642863711.db2.gz IWAABDGUAVOEGP-OCCSQVGLSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353517483 642863747 /nfs/dbraw/zinc/86/37/47/642863747.db2.gz IWAABDGUAVOEGP-TZMCWYRMSA-N 1 0 249.402 3.736 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1ccsc1C ZINC000353520938 387221803 /nfs/dbraw/zinc/22/18/03/387221803.db2.gz QAVNCWHCSIPGGL-GFCCVEGCSA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1ccsc1C ZINC000353520939 387221208 /nfs/dbraw/zinc/22/12/08/387221208.db2.gz QAVNCWHCSIPGGL-LBPRGKRZSA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccsc1C ZINC000353522039 387221875 /nfs/dbraw/zinc/22/18/75/387221875.db2.gz UADWMUAJBPUUJS-GWCFXTLKSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccsc1C ZINC000353522046 171053074 /nfs/dbraw/zinc/05/30/74/171053074.db2.gz UADWMUAJBPUUJS-GXFFZTMASA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccsc1C ZINC000353522048 387219967 /nfs/dbraw/zinc/21/99/67/387219967.db2.gz UADWMUAJBPUUJS-MFKMUULPSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccsc1C ZINC000353522050 171038183 /nfs/dbraw/zinc/03/81/83/171038183.db2.gz UADWMUAJBPUUJS-ZWNOBZJWSA-N 1 0 223.385 3.819 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353529575 642867737 /nfs/dbraw/zinc/86/77/37/642867737.db2.gz QPOKQUYMDUSVFZ-AAEUAGOBSA-N 1 0 249.402 3.592 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353529576 642867380 /nfs/dbraw/zinc/86/73/80/642867380.db2.gz QPOKQUYMDUSVFZ-DGCLKSJQSA-N 1 0 249.402 3.592 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353529577 642866369 /nfs/dbraw/zinc/86/63/69/642866369.db2.gz QPOKQUYMDUSVFZ-WCQYABFASA-N 1 0 249.402 3.592 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353529578 642867542 /nfs/dbraw/zinc/86/75/42/642867542.db2.gz QPOKQUYMDUSVFZ-YPMHNXCESA-N 1 0 249.402 3.592 20 0 BHADRO C[C@H](CF)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000353530940 387223730 /nfs/dbraw/zinc/22/37/30/387223730.db2.gz NKZHUUDOVKPWQO-KPPDAEKUSA-N 1 0 241.737 3.534 20 0 BHADRO C[C@@H](CF)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000353530952 387223319 /nfs/dbraw/zinc/22/33/19/387223319.db2.gz NKZHUUDOVKPWQO-WHXUTIOJSA-N 1 0 241.737 3.534 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000353533159 168285808 /nfs/dbraw/zinc/28/58/08/168285808.db2.gz XNAUEVBWHKMKID-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ncc[nH]2)CCCC1 ZINC000353541915 538748428 /nfs/dbraw/zinc/74/84/28/538748428.db2.gz KCSKCYFZUXTVEW-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ncc[nH]2)CCCC1 ZINC000353541916 538748906 /nfs/dbraw/zinc/74/89/06/538748906.db2.gz KCSKCYFZUXTVEW-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(C)(C)C ZINC000353544037 386784460 /nfs/dbraw/zinc/78/44/60/386784460.db2.gz ABDOWAOCIVYFHJ-UHFFFAOYSA-N 1 0 238.375 3.552 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000353545109 387225467 /nfs/dbraw/zinc/22/54/67/387225467.db2.gz RAQDELCBZWVHBX-AWEZNQCLSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000353545111 387226361 /nfs/dbraw/zinc/22/63/61/387226361.db2.gz RAQDELCBZWVHBX-CQSZACIVSA-N 1 0 235.396 3.679 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)sc1C ZINC000353546913 168286313 /nfs/dbraw/zinc/28/63/13/168286313.db2.gz XSNSGGKBIOTYHZ-UHFFFAOYSA-N 1 0 225.401 3.985 20 0 BHADRO Cc1sccc1C[N@@H+]1CCCc2occc2C1 ZINC000353548929 387228291 /nfs/dbraw/zinc/22/82/91/387228291.db2.gz IBVBTVSWEWARPY-UHFFFAOYSA-N 1 0 247.363 3.598 20 0 BHADRO Cc1sccc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000353554218 387228578 /nfs/dbraw/zinc/22/85/78/387228578.db2.gz IVELWJNJGDJXMH-CYBMUJFWSA-N 1 0 235.396 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000353554219 387227657 /nfs/dbraw/zinc/22/76/57/387227657.db2.gz IVELWJNJGDJXMH-ZDUSSCGKSA-N 1 0 235.396 3.677 20 0 BHADRO CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)CC1CC1 ZINC000353554394 356713315 /nfs/dbraw/zinc/71/33/15/356713315.db2.gz KCNFJMAGGPLZFC-BXUZGUMPSA-N 1 0 233.355 3.635 20 0 BHADRO CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)CC1CC1 ZINC000353554395 356712986 /nfs/dbraw/zinc/71/29/86/356712986.db2.gz KCNFJMAGGPLZFC-FZMZJTMJSA-N 1 0 233.355 3.635 20 0 BHADRO CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)CC1CC1 ZINC000353554396 356713965 /nfs/dbraw/zinc/71/39/65/356713965.db2.gz KCNFJMAGGPLZFC-RISCZKNCSA-N 1 0 233.355 3.635 20 0 BHADRO CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)CC1CC1 ZINC000353554397 356714032 /nfs/dbraw/zinc/71/40/32/356714032.db2.gz KCNFJMAGGPLZFC-SMDDNHRTSA-N 1 0 233.355 3.635 20 0 BHADRO CC[N@@H+](Cc1ccc(SC)cc1)CC1CC1 ZINC000353554427 356714225 /nfs/dbraw/zinc/71/42/25/356714225.db2.gz KNNSKFMNFGRGPH-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CC[N@@H+](Cc1c(C)oc2ccccc21)CC1CC1 ZINC000353556581 356713953 /nfs/dbraw/zinc/71/39/53/356713953.db2.gz RXTSLLUHECWEHT-UHFFFAOYSA-N 1 0 243.350 3.973 20 0 BHADRO Cc1cccc(C[N@@H+](CC(C)C)CC(C)(C)C)n1 ZINC000353556804 179071725 /nfs/dbraw/zinc/07/17/25/179071725.db2.gz DDHHBFWSWIWUAW-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO Cc1sccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000353558838 387230283 /nfs/dbraw/zinc/23/02/83/387230283.db2.gz YFPWBXSHNXRCLC-AWEZNQCLSA-N 1 0 247.407 3.821 20 0 BHADRO Cc1sccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000353558841 387229750 /nfs/dbraw/zinc/22/97/50/387229750.db2.gz YFPWBXSHNXRCLC-CQSZACIVSA-N 1 0 247.407 3.821 20 0 BHADRO CC[N@@H+](Cc1cc(C)sc1C)CC1CC1 ZINC000353560441 356713073 /nfs/dbraw/zinc/71/30/73/356713073.db2.gz HZLNUCFNMAIETN-UHFFFAOYSA-N 1 0 223.385 3.597 20 0 BHADRO C[C@H](Nc1cc(C2CC2)ccn1)c1ccco1 ZINC000353562032 385857935 /nfs/dbraw/zinc/85/79/35/385857935.db2.gz QSTJLGONRDQQAR-JTQLQIEISA-N 1 0 228.295 3.725 20 0 BHADRO C[C@@H](Nc1cc(C2CC2)ccn1)c1ccco1 ZINC000353562040 385857625 /nfs/dbraw/zinc/85/76/25/385857625.db2.gz QSTJLGONRDQQAR-SNVBAGLBSA-N 1 0 228.295 3.725 20 0 BHADRO c1coc(C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000353564016 387231140 /nfs/dbraw/zinc/23/11/40/387231140.db2.gz NVTAJKZGDGFNLK-UHFFFAOYSA-N 1 0 233.355 3.826 20 0 BHADRO c1cncc(C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000353568292 385946764 /nfs/dbraw/zinc/94/67/64/385946764.db2.gz TWCRFUCACWVBNR-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO Cn1cccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000353569136 387233992 /nfs/dbraw/zinc/23/39/92/387233992.db2.gz NKMHZFLLQGIWRM-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO CC[N@@H+](Cc1cc2cc(F)ccc2o1)CC1CC1 ZINC000353569147 356713670 /nfs/dbraw/zinc/71/36/70/356713670.db2.gz NLZFVLQXEUOJIS-UHFFFAOYSA-N 1 0 247.313 3.804 20 0 BHADRO Cn1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000353571153 387232358 /nfs/dbraw/zinc/23/23/58/387232358.db2.gz RCMVBVLJWJSJTN-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CCC2CCCC2)cn1 ZINC000353571199 187209782 /nfs/dbraw/zinc/20/97/82/187209782.db2.gz OTUDVISMNDERAJ-UHFFFAOYSA-N 1 0 246.398 3.795 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1csc(C(C)C)n1 ZINC000353579834 168288515 /nfs/dbraw/zinc/28/85/15/168288515.db2.gz XKLMFIHKSUZPGY-UHFFFAOYSA-N 1 0 240.416 3.887 20 0 BHADRO CC[N@@H+](Cc1coc2ccccc12)CC1CC1 ZINC000353584387 169933059 /nfs/dbraw/zinc/93/30/59/169933059.db2.gz GKFYNKGUWBYHFY-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2ccsc2)C1 ZINC000353586558 387235951 /nfs/dbraw/zinc/23/59/51/387235951.db2.gz DMJPFACEMBTYIK-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO Cc1cc(C[N@@H+]2CCC(C)(C)C2)c(C)s1 ZINC000353588071 387236029 /nfs/dbraw/zinc/23/60/29/387236029.db2.gz LCTXCUCUJQAFEM-UHFFFAOYSA-N 1 0 223.385 3.597 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]1C ZINC000353589655 386256459 /nfs/dbraw/zinc/25/64/59/386256459.db2.gz RWAQXWLUFPWIKL-LLVKDONJSA-N 1 0 229.323 3.726 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1C ZINC000353589656 386257688 /nfs/dbraw/zinc/25/76/88/386257688.db2.gz RWAQXWLUFPWIKL-NSHDSACASA-N 1 0 229.323 3.726 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000353593020 187373245 /nfs/dbraw/zinc/37/32/45/187373245.db2.gz VIIHOTBZCWTVJF-GFCCVEGCSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000353593022 187209697 /nfs/dbraw/zinc/20/96/97/187209697.db2.gz VIIHOTBZCWTVJF-LBPRGKRZSA-N 1 0 223.385 3.616 20 0 BHADRO CC1(C)CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000353593122 356714763 /nfs/dbraw/zinc/71/47/63/356714763.db2.gz WVNRKXSTVFRQCP-UHFFFAOYSA-N 1 0 247.313 3.804 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000353593141 177110248 /nfs/dbraw/zinc/11/02/48/177110248.db2.gz XHTZERJIQXJUBH-JTQLQIEISA-N 1 0 243.272 3.690 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000353593142 176110899 /nfs/dbraw/zinc/11/08/99/176110899.db2.gz XHTZERJIQXJUBH-SNVBAGLBSA-N 1 0 243.272 3.690 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C(C2CCC2)C2CCC2)no1 ZINC000353598344 178223170 /nfs/dbraw/zinc/22/31/70/178223170.db2.gz SWNDVOZMPXYEAF-LLVKDONJSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C(C2CCC2)C2CCC2)no1 ZINC000353598345 178245142 /nfs/dbraw/zinc/24/51/42/178245142.db2.gz SWNDVOZMPXYEAF-NSHDSACASA-N 1 0 248.370 3.602 20 0 BHADRO Cc1sccc1C[NH+](C1CCC1)C1CCC1 ZINC000353598451 387238022 /nfs/dbraw/zinc/23/80/22/387238022.db2.gz VVRDGVQFZIOLBK-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000353607683 387240156 /nfs/dbraw/zinc/24/01/56/387240156.db2.gz PUTNKRSLLSEDCT-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000353607685 387240870 /nfs/dbraw/zinc/24/08/70/387240870.db2.gz PUTNKRSLLSEDCT-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000353607856 188061736 /nfs/dbraw/zinc/06/17/36/188061736.db2.gz BRDNKCVDJQZIJS-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CC1(C)CC[N@H+](Cc2coc3ccccc23)C1 ZINC000353608359 356714686 /nfs/dbraw/zinc/71/46/86/356714686.db2.gz GMKVVZFSLQRMRU-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H]1C ZINC000353608439 352530898 /nfs/dbraw/zinc/53/08/98/352530898.db2.gz HRXBPQRCYZGKFR-AWEZNQCLSA-N 1 0 234.387 3.519 20 0 BHADRO CC(C)CCn1cccc1C[N@@H+]1CCC[C@H]1C ZINC000353608440 352531495 /nfs/dbraw/zinc/53/14/95/352531495.db2.gz HRXBPQRCYZGKFR-CQSZACIVSA-N 1 0 234.387 3.519 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2ccc(C)o2)C1 ZINC000353608844 387241562 /nfs/dbraw/zinc/24/15/62/387241562.db2.gz JDFHRPNSIHPZTD-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO CC[N@@H+](Cc1ccccn1)CC1CCC(C)CC1 ZINC000353611265 352547565 /nfs/dbraw/zinc/54/75/65/352547565.db2.gz BOLAHJWOQOOJOD-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000353612099 188396574 /nfs/dbraw/zinc/39/65/74/188396574.db2.gz HKLAUMYDRQUTCY-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000353612100 386554566 /nfs/dbraw/zinc/55/45/66/386554566.db2.gz HKLAUMYDRQUTCY-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000353612101 179467749 /nfs/dbraw/zinc/46/77/49/179467749.db2.gz HKLAUMYDRQUTCY-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000353612102 386555408 /nfs/dbraw/zinc/55/54/08/386555408.db2.gz HKLAUMYDRQUTCY-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC(C)(C)C2)o1 ZINC000353612726 177351466 /nfs/dbraw/zinc/35/14/66/177351466.db2.gz KKSUTRGJLYQSGP-AAEUAGOBSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC(C)(C)C2)o1 ZINC000353612728 387241788 /nfs/dbraw/zinc/24/17/88/387241788.db2.gz KKSUTRGJLYQSGP-DGCLKSJQSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC(C)(C)C2)o1 ZINC000353612729 188234739 /nfs/dbraw/zinc/23/47/39/188234739.db2.gz KKSUTRGJLYQSGP-WCQYABFASA-N 1 0 233.355 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC(C)(C)C2)o1 ZINC000353612731 387240768 /nfs/dbraw/zinc/24/07/68/387240768.db2.gz KKSUTRGJLYQSGP-YPMHNXCESA-N 1 0 233.355 3.635 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2occc2C)C1 ZINC000353614648 386582813 /nfs/dbraw/zinc/58/28/13/386582813.db2.gz TXOOQXUDFQRTKE-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000353615928 176110164 /nfs/dbraw/zinc/11/01/64/176110164.db2.gz XLJGYUHTJHKMTF-LLVKDONJSA-N 1 0 231.364 3.886 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000353615941 177109955 /nfs/dbraw/zinc/10/99/55/177109955.db2.gz XLJGYUHTJHKMTF-NSHDSACASA-N 1 0 231.364 3.886 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000353618814 387242502 /nfs/dbraw/zinc/24/25/02/387242502.db2.gz BJISJDVEMVFRJR-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccncc1C[N@@H+](C)CC1CCC(C)CC1 ZINC000353618868 188234970 /nfs/dbraw/zinc/23/49/70/188234970.db2.gz CAIVNSVMQBNFKX-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000353619521 387242684 /nfs/dbraw/zinc/24/26/84/387242684.db2.gz CKAWVLFIIAIGSJ-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000353619523 174712676 /nfs/dbraw/zinc/71/26/76/174712676.db2.gz CKAWVLFIIAIGSJ-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000353619525 387244036 /nfs/dbraw/zinc/24/40/36/387244036.db2.gz CKAWVLFIIAIGSJ-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000353619527 387242635 /nfs/dbraw/zinc/24/26/35/387242635.db2.gz CKAWVLFIIAIGSJ-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000353619619 171381599 /nfs/dbraw/zinc/38/15/99/171381599.db2.gz WIYUFNHCLNJWAH-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000353619621 387243708 /nfs/dbraw/zinc/24/37/08/387243708.db2.gz WIYUFNHCLNJWAH-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000353619622 387243907 /nfs/dbraw/zinc/24/39/07/387243907.db2.gz WIYUFNHCLNJWAH-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000353619624 387242615 /nfs/dbraw/zinc/24/26/15/387242615.db2.gz WIYUFNHCLNJWAH-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cnccc1C ZINC000353620313 387243666 /nfs/dbraw/zinc/24/36/66/387243666.db2.gz XWFNHIGHCYMVHK-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cnccc1C ZINC000353620314 387242829 /nfs/dbraw/zinc/24/28/29/387242829.db2.gz XWFNHIGHCYMVHK-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cnccc1C ZINC000353620315 387243701 /nfs/dbraw/zinc/24/37/01/387243701.db2.gz XWFNHIGHCYMVHK-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cnccc1C ZINC000353620316 387243028 /nfs/dbraw/zinc/24/30/28/387243028.db2.gz XWFNHIGHCYMVHK-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000353625307 168304833 /nfs/dbraw/zinc/30/48/33/168304833.db2.gz OEEVAWZVOCBSOY-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000353625309 168305504 /nfs/dbraw/zinc/30/55/04/168305504.db2.gz OEEVAWZVOCBSOY-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(CCC[N@H+]2CCCCC[C@@H]2C)cn1 ZINC000353626740 387244705 /nfs/dbraw/zinc/24/47/05/387244705.db2.gz QSJKZIYXIPUQIK-HNNXBMFYSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1ccc(CCC[N@H+]2CCCCC[C@H]2C)cn1 ZINC000353626743 387246087 /nfs/dbraw/zinc/24/60/87/387246087.db2.gz QSJKZIYXIPUQIK-OAHLLOKOSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC23CCC(CC2)C3)c1 ZINC000353628659 387244810 /nfs/dbraw/zinc/24/48/10/387244810.db2.gz BMDYZRCFLOAMSB-HLIUYOAVSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC23CCC(CC2)C3)c1 ZINC000353628660 387246203 /nfs/dbraw/zinc/24/62/03/387246203.db2.gz BMDYZRCFLOAMSB-VQCLRJIVSA-N 1 0 244.382 3.621 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000353635502 384535896 /nfs/dbraw/zinc/53/58/96/384535896.db2.gz ZSPFWVCINAPGPI-CVEARBPZSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000353635508 171556250 /nfs/dbraw/zinc/55/62/50/171556250.db2.gz ZSPFWVCINAPGPI-HOTGVXAUSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000353635512 344986697 /nfs/dbraw/zinc/98/66/97/344986697.db2.gz ZSPFWVCINAPGPI-HZPDHXFCSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1cccc(C)c1 ZINC000353635515 171556480 /nfs/dbraw/zinc/55/64/80/171556480.db2.gz ZSPFWVCINAPGPI-JKSUJKDBSA-N 1 0 249.398 3.587 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000353641522 387244596 /nfs/dbraw/zinc/24/45/96/387244596.db2.gz FMVASTMDBABOEP-HNNXBMFYSA-N 1 0 241.334 3.659 20 0 BHADRO c1coc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000353641523 387244678 /nfs/dbraw/zinc/24/46/78/387244678.db2.gz FMVASTMDBABOEP-OAHLLOKOSA-N 1 0 241.334 3.659 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)o1 ZINC000353643673 387248329 /nfs/dbraw/zinc/24/83/29/387248329.db2.gz AXYOJAWTHIJEBV-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCCc1ccc(C)nc1 ZINC000353646312 171277737 /nfs/dbraw/zinc/27/77/37/171277737.db2.gz DHKQWGHODDFNGS-AWEZNQCLSA-N 1 0 248.414 3.691 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCCc1ccc(C)nc1 ZINC000353646313 387247333 /nfs/dbraw/zinc/24/73/33/387247333.db2.gz DHKQWGHODDFNGS-CQSZACIVSA-N 1 0 248.414 3.691 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CCC12CCC2 ZINC000353646970 387247671 /nfs/dbraw/zinc/24/76/71/387247671.db2.gz KKDGHULTJTVKHK-UHFFFAOYSA-N 1 0 241.334 3.870 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000353647225 167304536 /nfs/dbraw/zinc/30/45/36/167304536.db2.gz GNSGNMVHJLZQOS-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC23CCC3)o1 ZINC000353647813 177352089 /nfs/dbraw/zinc/35/20/89/177352089.db2.gz MIBKKLGDJHXEDL-AAEUAGOBSA-N 1 0 231.339 3.531 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC23CCC3)o1 ZINC000353647814 387248185 /nfs/dbraw/zinc/24/81/85/387248185.db2.gz MIBKKLGDJHXEDL-DGCLKSJQSA-N 1 0 231.339 3.531 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC23CCC3)o1 ZINC000353647817 387249135 /nfs/dbraw/zinc/24/91/35/387249135.db2.gz MIBKKLGDJHXEDL-WCQYABFASA-N 1 0 231.339 3.531 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC23CCC3)o1 ZINC000353647820 387249087 /nfs/dbraw/zinc/24/90/87/387249087.db2.gz MIBKKLGDJHXEDL-YPMHNXCESA-N 1 0 231.339 3.531 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000353648026 179516148 /nfs/dbraw/zinc/51/61/48/179516148.db2.gz NVEBOAHVNXOANP-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO 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CC[C@H](C)[C@@H](C)[N@H+](Cc1cnccc1C)C1CC1 ZINC000353655236 171362004 /nfs/dbraw/zinc/36/20/04/171362004.db2.gz XIVOEARFAQBQGH-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cnccc1C)C1CC1 ZINC000353655237 171386385 /nfs/dbraw/zinc/38/63/85/171386385.db2.gz XIVOEARFAQBQGH-JSGCOSHPSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cnccc1C)C1CC1 ZINC000353655238 387250594 /nfs/dbraw/zinc/25/05/94/387250594.db2.gz XIVOEARFAQBQGH-OCCSQVGLSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cnccc1C)C1CC1 ZINC000353655239 387249956 /nfs/dbraw/zinc/24/99/56/387249956.db2.gz XIVOEARFAQBQGH-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cnccc1C ZINC000353656718 387251463 /nfs/dbraw/zinc/25/14/63/387251463.db2.gz MBRNSAVKCBWZDI-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cnccc1C ZINC000353656720 356716042 /nfs/dbraw/zinc/71/60/42/356716042.db2.gz MBRNSAVKCBWZDI-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO 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538762099 /nfs/dbraw/zinc/76/20/99/538762099.db2.gz RUMOQAPHUJQFSP-SECBINFHSA-N 1 0 243.335 3.798 20 0 BHADRO C[C@H](Nc1csc2ccccc12)c1ncc[nH]1 ZINC000353684354 538762073 /nfs/dbraw/zinc/76/20/73/538762073.db2.gz RUMOQAPHUJQFSP-VIFPVBQESA-N 1 0 243.335 3.798 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000353684360 387257511 /nfs/dbraw/zinc/25/75/11/387257511.db2.gz RWMJFVSZRFMOAM-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CCn1cccc1C[N@H+](C)Cc1sccc1C ZINC000353686304 172203698 /nfs/dbraw/zinc/20/36/98/172203698.db2.gz WXEKMEYXAMRNNA-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000353690857 188062058 /nfs/dbraw/zinc/06/20/58/188062058.db2.gz SFEIOCAQEDFXBW-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000353691116 538765369 /nfs/dbraw/zinc/76/53/69/538765369.db2.gz SSVHPEANNPXDEE-GFCCVEGCSA-N 1 0 249.402 3.809 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000353691119 538766350 /nfs/dbraw/zinc/76/63/50/538766350.db2.gz SSVHPEANNPXDEE-LBPRGKRZSA-N 1 0 249.402 3.809 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000353691835 387259323 /nfs/dbraw/zinc/25/93/23/387259323.db2.gz UTFKCOKXPOAKEB-CQSZACIVSA-N 1 0 221.344 3.600 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CCC2(CCC2)C1 ZINC000353692578 387257699 /nfs/dbraw/zinc/25/76/99/387257699.db2.gz WCNRJWNUGXKXHE-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)o1 ZINC000353696786 356716246 /nfs/dbraw/zinc/71/62/46/356716246.db2.gz BUZQHPILABEVIW-CYBMUJFWSA-N 1 0 221.344 3.743 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)o1 ZINC000353696788 387261078 /nfs/dbraw/zinc/26/10/78/387261078.db2.gz BUZQHPILABEVIW-ZDUSSCGKSA-N 1 0 221.344 3.743 20 0 BHADRO Cc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1F ZINC000353701841 387261618 /nfs/dbraw/zinc/26/16/18/387261618.db2.gz HQMXRYFPIZNGSB-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO CCc1oc2ccccc2c1C[N@H+](C)C1CCC1 ZINC000353702073 172112748 /nfs/dbraw/zinc/11/27/48/172112748.db2.gz HWTQUAIESACMHM-UHFFFAOYSA-N 1 0 243.350 3.980 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2occc2C)C1 ZINC000353702443 387261359 /nfs/dbraw/zinc/26/13/59/387261359.db2.gz JAZFXBCRYXUXPV-CQSZACIVSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)c(C)c1 ZINC000353702643 178566277 /nfs/dbraw/zinc/56/62/77/178566277.db2.gz JWNRURDETUXWMF-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO c1cc(C[N@@H+]2CCC3(CCC3)C2)cc2c1CCC2 ZINC000353702814 183368450 /nfs/dbraw/zinc/36/84/50/183368450.db2.gz KJTMYNJJFCBRSX-UHFFFAOYSA-N 1 0 241.378 3.551 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2occc2C)CC1 ZINC000353704077 356716574 /nfs/dbraw/zinc/71/65/74/356716574.db2.gz BMUCXMKVQXKVES-CYBMUJFWSA-N 1 0 221.344 3.600 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2occc2C)CC1 ZINC000353704078 387260681 /nfs/dbraw/zinc/26/06/81/387260681.db2.gz BMUCXMKVQXKVES-ZDUSSCGKSA-N 1 0 221.344 3.600 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccsc2)C1 ZINC000353710846 387263623 /nfs/dbraw/zinc/26/36/23/387263623.db2.gz UEMKBPYZIRPQPM-CYBMUJFWSA-N 1 0 223.385 3.760 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2ccsc2)C1 ZINC000353710849 171199535 /nfs/dbraw/zinc/19/95/35/171199535.db2.gz UEMKBPYZIRPQPM-ZDUSSCGKSA-N 1 0 223.385 3.760 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000353710877 187208908 /nfs/dbraw/zinc/20/89/08/187208908.db2.gz ICUNYWWTZWOLCU-GXTWGEPZSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000353710879 177351214 /nfs/dbraw/zinc/35/12/14/177351214.db2.gz ICUNYWWTZWOLCU-JSGCOSHPSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000353710881 387262876 /nfs/dbraw/zinc/26/28/76/387262876.db2.gz ICUNYWWTZWOLCU-OCCSQVGLSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000353710883 387264028 /nfs/dbraw/zinc/26/40/28/387264028.db2.gz ICUNYWWTZWOLCU-TZMCWYRMSA-N 1 0 245.366 3.779 20 0 BHADRO CC1(C)C[N@@H+](CC2(C)CCC2)[C@H]1c1ccncc1 ZINC000353712274 168023886 /nfs/dbraw/zinc/02/38/86/168023886.db2.gz ITWJZFBLILFBMG-AWEZNQCLSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@@H+](CC2(C)CCC2)[C@@H]1c1ccncc1 ZINC000353712275 168023962 /nfs/dbraw/zinc/02/39/62/168023962.db2.gz ITWJZFBLILFBMG-CQSZACIVSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(C)o2)CC1 ZINC000353713003 356716294 /nfs/dbraw/zinc/71/62/94/356716294.db2.gz PJENUDFIELJZJV-CYBMUJFWSA-N 1 0 221.344 3.600 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(C)o2)CC1 ZINC000353713005 387263265 /nfs/dbraw/zinc/26/32/65/387263265.db2.gz PJENUDFIELJZJV-ZDUSSCGKSA-N 1 0 221.344 3.600 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000353714977 356716361 /nfs/dbraw/zinc/71/63/61/356716361.db2.gz SIFGUIFOEHKENH-GFCCVEGCSA-N 1 0 223.385 3.760 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000353714985 387263505 /nfs/dbraw/zinc/26/35/05/387263505.db2.gz SIFGUIFOEHKENH-LBPRGKRZSA-N 1 0 223.385 3.760 20 0 BHADRO CC(C)OCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000353719442 167209033 /nfs/dbraw/zinc/20/90/33/167209033.db2.gz XUUBDESGLNKMOK-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cn1 ZINC000353743888 387266691 /nfs/dbraw/zinc/26/66/91/387266691.db2.gz DXMQNGRIEUOTLS-UHFFFAOYSA-N 1 0 234.387 3.558 20 0 BHADRO Cc1cccc(C[N@H+](C)CC2CCCCCC2)n1 ZINC000353744571 386721983 /nfs/dbraw/zinc/72/19/83/386721983.db2.gz FTFZIQNAZOJAAS-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CCc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)cn1 ZINC000353746066 387268133 /nfs/dbraw/zinc/26/81/33/387268133.db2.gz KRSHFIFRFSEAAP-HNNXBMFYSA-N 1 0 246.398 3.510 20 0 BHADRO CCc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)cn1 ZINC000353746067 387268276 /nfs/dbraw/zinc/26/82/76/387268276.db2.gz KRSHFIFRFSEAAP-OAHLLOKOSA-N 1 0 246.398 3.510 20 0 BHADRO Cc1cccc(C[N@@H+](C)CC2CCC(C)CC2)n1 ZINC000353747588 179064124 /nfs/dbraw/zinc/06/41/24/179064124.db2.gz OUGVPSQCNNOQSN-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C2CCC(C)(C)CC2)n1 ZINC000353747683 179063852 /nfs/dbraw/zinc/06/38/52/179063852.db2.gz GCCUIWNLMMZQLC-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@H+]1CCCC[C@H]1CC(C)C ZINC000353748922 180219051 /nfs/dbraw/zinc/21/90/51/180219051.db2.gz TYYXGXIDEJYKRX-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000353748923 180219235 /nfs/dbraw/zinc/21/92/35/180219235.db2.gz TYYXGXIDEJYKRX-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO CCC1CCC([NH2+]Cc2ccnn2C(C)C)CC1 ZINC000353751870 388543491 /nfs/dbraw/zinc/54/34/91/388543491.db2.gz KSSBXWDCLCQDNW-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cccc(C)n2)CC1 ZINC000353756058 387269744 /nfs/dbraw/zinc/26/97/44/387269744.db2.gz VDQDRQVUYUUTKI-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)c(F)c1)C1CCC1 ZINC000353766826 187547740 /nfs/dbraw/zinc/54/77/40/187547740.db2.gz IXPHXQUAEKGJTK-UHFFFAOYSA-N 1 0 239.309 3.728 20 0 BHADRO CC(C)[N@H+](Cc1ccccc1F)C1CCC1 ZINC000353773156 188234482 /nfs/dbraw/zinc/23/44/82/188234482.db2.gz AKNUKFMVIJGJBK-UHFFFAOYSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000353773816 387271943 /nfs/dbraw/zinc/27/19/43/387271943.db2.gz DXXLWYXDKBTNEE-BIGNPOOSSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000353773817 387271913 /nfs/dbraw/zinc/27/19/13/387271913.db2.gz DXXLWYXDKBTNEE-HERUPUMHSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000353773818 387272504 /nfs/dbraw/zinc/27/25/04/387272504.db2.gz DXXLWYXDKBTNEE-IIMNLJJBSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000353773819 387271684 /nfs/dbraw/zinc/27/16/84/387271684.db2.gz DXXLWYXDKBTNEE-QCZZGDTMSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)[N@H+](Cc1c(F)cccc1F)C1CCC1 ZINC000353775819 188061525 /nfs/dbraw/zinc/06/15/25/188061525.db2.gz PEILBLZQENXEKC-UHFFFAOYSA-N 1 0 239.309 3.728 20 0 BHADRO CC(C)[N@H+](Cc1cccc2cc[nH]c21)C1CCC1 ZINC000353782294 353353641 /nfs/dbraw/zinc/35/36/41/353353641.db2.gz SJDJOHSRULNTEC-UHFFFAOYSA-N 1 0 242.366 3.931 20 0 BHADRO CC(C)[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000353783889 387274769 /nfs/dbraw/zinc/27/47/69/387274769.db2.gz YPFLHIHRPMZJFC-UHFFFAOYSA-N 1 0 221.319 3.589 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)C3(C)CC3)ccc2[nH]1 ZINC000353787728 353408523 /nfs/dbraw/zinc/40/85/23/353408523.db2.gz AYEWVBBKBJLIKJ-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H](C)C3(C)CC3)ccc2[nH]1 ZINC000353787733 353402758 /nfs/dbraw/zinc/40/27/58/353402758.db2.gz AYEWVBBKBJLIKJ-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccccc1C[N@@H+](C(C)C)C1CCC1 ZINC000353788564 179267810 /nfs/dbraw/zinc/26/78/10/179267810.db2.gz CKYRQEZODAUXQJ-UHFFFAOYSA-N 1 0 217.356 3.758 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000353791947 176237756 /nfs/dbraw/zinc/23/77/56/176237756.db2.gz GXWIDASZUVPPPD-KMUNFCNLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000353791948 176218012 /nfs/dbraw/zinc/21/80/12/176218012.db2.gz GXWIDASZUVPPPD-ONERCXAPSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000353791950 176237689 /nfs/dbraw/zinc/23/76/89/176237689.db2.gz GXWIDASZUVPPPD-VCTAVGKDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000353791952 176217841 /nfs/dbraw/zinc/21/78/41/176217841.db2.gz GXWIDASZUVPPPD-WKPIXPDZSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000353794719 176237632 /nfs/dbraw/zinc/23/76/32/176237632.db2.gz LIFHUAHPKQGOAV-KMUNFCNLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000353794720 176217631 /nfs/dbraw/zinc/21/76/31/176217631.db2.gz LIFHUAHPKQGOAV-ONERCXAPSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000353794722 176237372 /nfs/dbraw/zinc/23/73/72/176237372.db2.gz LIFHUAHPKQGOAV-VCTAVGKDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000353794724 176217904 /nfs/dbraw/zinc/21/79/04/176217904.db2.gz LIFHUAHPKQGOAV-WKPIXPDZSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CCC3(C)C)ccc2[nH]1 ZINC000353796152 353504918 /nfs/dbraw/zinc/50/49/18/353504918.db2.gz NZOBXWGTCQSKIH-HNNXBMFYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CCC3(C)C)ccc2[nH]1 ZINC000353796153 353504925 /nfs/dbraw/zinc/50/49/25/353504925.db2.gz NZOBXWGTCQSKIH-OAHLLOKOSA-N 1 0 242.366 3.755 20 0 BHADRO CC(C)[N@H+](Cc1cccc(F)c1F)C1CCC1 ZINC000353796669 387276341 /nfs/dbraw/zinc/27/63/41/387276341.db2.gz OXMYYLXDCSDGGA-UHFFFAOYSA-N 1 0 239.309 3.728 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)C3CCC3)ccc2[nH]1 ZINC000353797169 178294399 /nfs/dbraw/zinc/29/43/99/178294399.db2.gz QQHPLZVWSPEIOJ-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H](C)C3CCC3)ccc2[nH]1 ZINC000353797170 178294997 /nfs/dbraw/zinc/29/49/97/178294997.db2.gz QQHPLZVWSPEIOJ-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+]C3CC(C)(C)C3)ccc2[nH]1 ZINC000353797586 178294298 /nfs/dbraw/zinc/29/42/98/178294298.db2.gz RPOUMDDGXSBSDM-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CCOc1cccc(C[N@H+](C(C)C)C2CCC2)c1 ZINC000353798032 353516177 /nfs/dbraw/zinc/51/61/77/353516177.db2.gz SRXMSYMWDMXOPT-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)[N@H+](Cc1cc(F)cc(F)c1)C1CCC1 ZINC000353798499 387277532 /nfs/dbraw/zinc/27/75/32/387277532.db2.gz VKWWZYOULREKQB-UHFFFAOYSA-N 1 0 239.309 3.728 20 0 BHADRO CC[N@H+](Cc1cc(C)sc1C)C1CCC1 ZINC000353799293 356719600 /nfs/dbraw/zinc/71/96/00/356719600.db2.gz ANAMURUCBIDRDA-UHFFFAOYSA-N 1 0 223.385 3.739 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(OC)cc1 ZINC000353799294 353560092 /nfs/dbraw/zinc/56/00/92/353560092.db2.gz AORDEZYXBSLTDJ-KCXAZCMYSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(OC)cc1 ZINC000353799295 353560302 /nfs/dbraw/zinc/56/03/02/353560302.db2.gz AORDEZYXBSLTDJ-MAZHCROVSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(OC)cc1 ZINC000353799296 135576136 /nfs/dbraw/zinc/57/61/36/135576136.db2.gz AORDEZYXBSLTDJ-RCBQFDQVSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(OC)cc1 ZINC000353799297 353561138 /nfs/dbraw/zinc/56/11/38/353561138.db2.gz AORDEZYXBSLTDJ-WQVCFCJDSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000353799678 387278206 /nfs/dbraw/zinc/27/82/06/387278206.db2.gz BKVYREXLDITDMP-NEPJUHHUSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000353799679 387276513 /nfs/dbraw/zinc/27/65/13/387276513.db2.gz BKVYREXLDITDMP-NWDGAFQWSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000353799680 171381575 /nfs/dbraw/zinc/38/15/75/171381575.db2.gz BKVYREXLDITDMP-RYUDHWBXSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000353799681 387276279 /nfs/dbraw/zinc/27/62/79/387276279.db2.gz BKVYREXLDITDMP-VXGBXAGGSA-N 1 0 238.400 3.544 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C ZINC000353799690 178948676 /nfs/dbraw/zinc/94/86/76/178948676.db2.gz BOICXDUYJVRRIU-CFVMTHIKSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[C@@H]1C ZINC000353799691 387277282 /nfs/dbraw/zinc/27/72/82/387277282.db2.gz BOICXDUYJVRRIU-QEJZJMRPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[C@H]1C ZINC000353799692 387276757 /nfs/dbraw/zinc/27/67/57/387276757.db2.gz BOICXDUYJVRRIU-SNPRPXQTSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]1C ZINC000353799693 387277487 /nfs/dbraw/zinc/27/74/87/387277487.db2.gz BOICXDUYJVRRIU-YUELXQCFSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C)CCC2 ZINC000353799720 178957072 /nfs/dbraw/zinc/95/70/72/178957072.db2.gz BWGMPRFTWQWFJE-APHBMKBZSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C)CCC2 ZINC000353799721 387276477 /nfs/dbraw/zinc/27/64/77/387276477.db2.gz BWGMPRFTWQWFJE-DAXOMENPSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H]1C)CCC2 ZINC000353799722 387278040 /nfs/dbraw/zinc/27/80/40/387278040.db2.gz BWGMPRFTWQWFJE-UHOFOFEASA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H]1C)CCC2 ZINC000353799723 178957333 /nfs/dbraw/zinc/95/73/33/178957333.db2.gz BWGMPRFTWQWFJE-VBNZEHGJSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc2ccccc2n1 ZINC000353800729 387276663 /nfs/dbraw/zinc/27/66/63/387276663.db2.gz YYJVWFLIYBPVAD-DYEKYZERSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc2ccccc2n1 ZINC000353800730 387276405 /nfs/dbraw/zinc/27/64/05/387276405.db2.gz YYJVWFLIYBPVAD-MBNYWOFBSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc2ccccc2n1 ZINC000353800731 135584813 /nfs/dbraw/zinc/58/48/13/135584813.db2.gz YYJVWFLIYBPVAD-OBJOEFQTSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc2ccccc2n1 ZINC000353800732 398251303 /nfs/dbraw/zinc/25/13/03/398251303.db2.gz YYJVWFLIYBPVAD-SGMGOOAPSA-N 1 0 240.350 3.684 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CCC2)o1 ZINC000353800887 387277623 /nfs/dbraw/zinc/27/76/23/387277623.db2.gz BTOHDIJLWFBMKJ-PSOPSSQASA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@H]2C)C2CCC2)o1 ZINC000353800893 387277772 /nfs/dbraw/zinc/27/77/72/387277772.db2.gz BTOHDIJLWFBMKJ-RIEGTJTDSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C)C2CCC2)o1 ZINC000353800895 178911977 /nfs/dbraw/zinc/91/19/77/178911977.db2.gz BTOHDIJLWFBMKJ-VZJVUDMVSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C)C2CCC2)o1 ZINC000353800897 178910941 /nfs/dbraw/zinc/91/09/41/178910941.db2.gz BTOHDIJLWFBMKJ-WDBKCZKBSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)C(C)C)ccc2[nH]1 ZINC000353801781 178294962 /nfs/dbraw/zinc/29/49/62/178294962.db2.gz GPRVWJRKSKMTTF-GFCCVEGCSA-N 1 0 230.355 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H](C)C(C)C)ccc2[nH]1 ZINC000353801782 178294595 /nfs/dbraw/zinc/29/45/95/178294595.db2.gz GPRVWJRKSKMTTF-LBPRGKRZSA-N 1 0 230.355 3.610 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000353801990 387277604 /nfs/dbraw/zinc/27/76/04/387277604.db2.gz HCPVZMYLLZGNEM-CYBMUJFWSA-N 1 0 237.412 3.568 20 0 BHADRO CSCC[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000353801992 387277675 /nfs/dbraw/zinc/27/76/75/387277675.db2.gz HCPVZMYLLZGNEM-ZDUSSCGKSA-N 1 0 237.412 3.568 20 0 BHADRO CC[N@H+](Cc1ccc(C)c(F)c1)C1CCC1 ZINC000353802732 356719217 /nfs/dbraw/zinc/71/92/17/356719217.db2.gz INCJXOBSJCHJDF-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO CC[N@H+](Cc1cccc2cc[nH]c21)C1CCC1 ZINC000353802775 356719238 /nfs/dbraw/zinc/71/92/38/356719238.db2.gz IXLLOVLNOAEOQK-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000353803363 387277821 /nfs/dbraw/zinc/27/78/21/387277821.db2.gz KKUWNNNNACYFBM-CYBMUJFWSA-N 1 0 237.412 3.568 20 0 BHADRO CSCC[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000353803364 387277321 /nfs/dbraw/zinc/27/73/21/387277321.db2.gz KKUWNNNNACYFBM-ZDUSSCGKSA-N 1 0 237.412 3.568 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1)C1CCC1 ZINC000353803604 356719677 /nfs/dbraw/zinc/71/96/77/356719677.db2.gz KRIIEEZZFXPCQB-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(OC)c1 ZINC000353805155 387277544 /nfs/dbraw/zinc/27/75/44/387277544.db2.gz NVBAJPRTCKCGRH-BYCMXARLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(OC)c1 ZINC000353805156 171549370 /nfs/dbraw/zinc/54/93/70/171549370.db2.gz NVBAJPRTCKCGRH-CQDKDKBSSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(OC)c1 ZINC000353805157 171542716 /nfs/dbraw/zinc/54/27/16/171542716.db2.gz NVBAJPRTCKCGRH-TUKIKUTGSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(OC)c1 ZINC000353805158 171549539 /nfs/dbraw/zinc/54/95/39/171549539.db2.gz NVBAJPRTCKCGRH-UGFHNGPFSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000353807839 171381719 /nfs/dbraw/zinc/38/17/19/171381719.db2.gz RWOYOQDRAQSLDC-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000353807840 387277144 /nfs/dbraw/zinc/27/71/44/387277144.db2.gz RWOYOQDRAQSLDC-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000353807841 387278159 /nfs/dbraw/zinc/27/81/59/387278159.db2.gz RWOYOQDRAQSLDC-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000353807842 387276807 /nfs/dbraw/zinc/27/68/07/387276807.db2.gz RWOYOQDRAQSLDC-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccc(C[N@@H+](C(C)C)C2CCC2)c1 ZINC000353807965 188234957 /nfs/dbraw/zinc/23/49/57/188234957.db2.gz KPYULFBYDBENIW-UHFFFAOYSA-N 1 0 217.356 3.758 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccn1 ZINC000353810394 386644369 /nfs/dbraw/zinc/64/43/69/386644369.db2.gz VQTXLCVHIFSDIN-GUTXKFCHSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccn1 ZINC000353810395 386643393 /nfs/dbraw/zinc/64/33/93/386643393.db2.gz VQTXLCVHIFSDIN-IPYPFGDCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccn1 ZINC000353810396 528574406 /nfs/dbraw/zinc/57/44/06/528574406.db2.gz VQTXLCVHIFSDIN-NFAWXSAZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccn1 ZINC000353810397 135658909 /nfs/dbraw/zinc/65/89/09/135658909.db2.gz VQTXLCVHIFSDIN-YDHLFZDLSA-N 1 0 232.371 3.557 20 0 BHADRO CC[N@H+](Cc1csc(C(C)C)n1)C1CCC1 ZINC000353813024 356720764 /nfs/dbraw/zinc/72/07/64/356720764.db2.gz HEFLQIIUDIPRGA-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000353813734 387280480 /nfs/dbraw/zinc/28/04/80/387280480.db2.gz ZEOKHCFYXNTBSU-BIGNPOOSSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000353813736 387279511 /nfs/dbraw/zinc/27/95/11/387279511.db2.gz ZEOKHCFYXNTBSU-HERUPUMHSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000353813738 387280805 /nfs/dbraw/zinc/28/08/05/387280805.db2.gz ZEOKHCFYXNTBSU-IIMNLJJBSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000353813739 171542434 /nfs/dbraw/zinc/54/24/34/171542434.db2.gz ZEOKHCFYXNTBSU-QCZZGDTMSA-N 1 0 239.309 3.804 20 0 BHADRO CC[N@H+](Cc1cc2cc(F)ccc2o1)C1CCC1 ZINC000353813826 356720721 /nfs/dbraw/zinc/72/07/21/356720721.db2.gz HWNGZOGBHVFECV-UHFFFAOYSA-N 1 0 247.313 3.946 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(C)ccc1OC ZINC000353816714 387280089 /nfs/dbraw/zinc/28/00/89/387280089.db2.gz FQUGWKDVJOEMJL-AEGPPILISA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(C)ccc1OC ZINC000353816715 353777470 /nfs/dbraw/zinc/77/74/70/353777470.db2.gz FQUGWKDVJOEMJL-QEJZJMRPSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(C)ccc1OC ZINC000353816716 535948068 /nfs/dbraw/zinc/94/80/68/535948068.db2.gz FQUGWKDVJOEMJL-SNPRPXQTSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(C)ccc1OC ZINC000353816732 353777504 /nfs/dbraw/zinc/77/75/04/353777504.db2.gz FQUGWKDVJOEMJL-VHDGCEQUSA-N 1 0 247.382 3.843 20 0 BHADRO CC[N@H+](Cc1cccc2cccnc21)C1CCC1 ZINC000353816979 386677745 /nfs/dbraw/zinc/67/77/45/386677745.db2.gz GAOIBXHHYFPREP-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)CC3CC3)ccc2[nH]1 ZINC000353817045 178294029 /nfs/dbraw/zinc/29/40/29/178294029.db2.gz GCAVKJIXOCFKPP-LLVKDONJSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H](C)CC3CC3)ccc2[nH]1 ZINC000353817049 178294230 /nfs/dbraw/zinc/29/42/30/178294230.db2.gz GCAVKJIXOCFKPP-NSHDSACASA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000353817091 171381842 /nfs/dbraw/zinc/38/18/42/171381842.db2.gz GDXFOOWAENLCAY-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000353817095 387280822 /nfs/dbraw/zinc/28/08/22/387280822.db2.gz GDXFOOWAENLCAY-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000353817097 387280049 /nfs/dbraw/zinc/28/00/49/387280049.db2.gz GDXFOOWAENLCAY-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000353817100 387279837 /nfs/dbraw/zinc/27/98/37/387279837.db2.gz GDXFOOWAENLCAY-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)cc1F)C1CCC1 ZINC000353817248 188061938 /nfs/dbraw/zinc/06/19/38/188061938.db2.gz SWZDPLIHNCXOIA-UHFFFAOYSA-N 1 0 239.309 3.728 20 0 BHADRO CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000353817817 356721361 /nfs/dbraw/zinc/72/13/61/356721361.db2.gz GLHIOIIWPBHKQY-BXUZGUMPSA-N 1 0 233.355 3.777 20 0 BHADRO CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CCC1 ZINC000353817818 356721781 /nfs/dbraw/zinc/72/17/81/356721781.db2.gz GLHIOIIWPBHKQY-FZMZJTMJSA-N 1 0 233.355 3.777 20 0 BHADRO CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000353817819 356721435 /nfs/dbraw/zinc/72/14/35/356721435.db2.gz GLHIOIIWPBHKQY-RISCZKNCSA-N 1 0 233.355 3.777 20 0 BHADRO CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CCC1 ZINC000353817820 356721150 /nfs/dbraw/zinc/72/11/50/356721150.db2.gz GLHIOIIWPBHKQY-SMDDNHRTSA-N 1 0 233.355 3.777 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H]1C)CCCO2 ZINC000353817836 387280200 /nfs/dbraw/zinc/28/02/00/387280200.db2.gz GPWWFJWJDONSIV-AEGPPILISA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C)CCCO2 ZINC000353817837 387280802 /nfs/dbraw/zinc/28/08/02/387280802.db2.gz GPWWFJWJDONSIV-BPLDGKMQSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C)CCCO2 ZINC000353817838 387280840 /nfs/dbraw/zinc/28/08/40/387280840.db2.gz GPWWFJWJDONSIV-NWANDNLSSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H]1C)CCCO2 ZINC000353817839 178957122 /nfs/dbraw/zinc/95/71/22/178957122.db2.gz GPWWFJWJDONSIV-VHDGCEQUSA-N 1 0 245.366 3.597 20 0 BHADRO CC[N@H+](Cc1ccc(F)cc1C)C1CCC1 ZINC000353818538 356721620 /nfs/dbraw/zinc/72/16/20/356721620.db2.gz IAEFOKLHOCECDO-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO CC[N@H+](Cc1ccc(SC)cc1)C1CCC1 ZINC000353821306 356721972 /nfs/dbraw/zinc/72/19/72/356721972.db2.gz JYDHYKDTBMAUQN-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000353821476 176218247 /nfs/dbraw/zinc/21/82/47/176218247.db2.gz SGTDOLNYQXOVOT-KGYLQXTDSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000353821477 176237612 /nfs/dbraw/zinc/23/76/12/176237612.db2.gz SGTDOLNYQXOVOT-RAIGVLPGSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000353821478 176237646 /nfs/dbraw/zinc/23/76/46/176237646.db2.gz SGTDOLNYQXOVOT-RTXFEEFZSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000353821479 176217835 /nfs/dbraw/zinc/21/78/35/176217835.db2.gz SGTDOLNYQXOVOT-WXHSDQCUSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1n[nH]cc1C[N@H+]1CCCCC[C@H]1CC(C)C ZINC000353823096 353809532 /nfs/dbraw/zinc/80/95/32/353809532.db2.gz LVCFZHWLQRRCFN-HNNXBMFYSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1n[nH]cc1C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000353823097 353809474 /nfs/dbraw/zinc/80/94/74/353809474.db2.gz LVCFZHWLQRRCFN-OAHLLOKOSA-N 1 0 249.402 3.509 20 0 BHADRO CC[N@H+](Cc1ccc2ncccc2c1)C1CCC1 ZINC000353824757 356721881 /nfs/dbraw/zinc/72/18/81/356721881.db2.gz MZAQNOXAAVRXNB-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[N@H+](Cc1cccc2[nH]ccc21)C1CCC1 ZINC000353826096 356721940 /nfs/dbraw/zinc/72/19/40/356721940.db2.gz YFLJQDHTMOKFAU-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000353826268 387282663 /nfs/dbraw/zinc/28/26/63/387282663.db2.gz YVTZABHHLKMKTC-CYBMUJFWSA-N 1 0 237.412 3.568 20 0 BHADRO CSCC[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000353826269 387281519 /nfs/dbraw/zinc/28/15/19/387281519.db2.gz YVTZABHHLKMKTC-ZDUSSCGKSA-N 1 0 237.412 3.568 20 0 BHADRO CC[N@H+](Cc1cnc(C(C)C)s1)C1CCC1 ZINC000353826357 353824832 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ZINC000353847228 177260377 /nfs/dbraw/zinc/26/03/77/177260377.db2.gz SALZIUCSEQTRJP-QWRGUYRKSA-N 1 0 247.313 3.660 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)o2)C1 ZINC000353848878 354161655 /nfs/dbraw/zinc/16/16/55/354161655.db2.gz WZVQGDNUTGYJNB-NXEZZACHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)o2)C1 ZINC000353848885 354162456 /nfs/dbraw/zinc/16/24/56/354162456.db2.gz WZVQGDNUTGYJNB-UWVGGRQHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000353848886 354162637 /nfs/dbraw/zinc/16/26/37/354162637.db2.gz WZVQGDNUTGYJNB-VHSXEESVSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)o2)C1 ZINC000353848888 354162601 /nfs/dbraw/zinc/16/26/01/354162601.db2.gz WZVQGDNUTGYJNB-ZJUUUORDSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000353849686 354185304 /nfs/dbraw/zinc/18/53/04/354185304.db2.gz YNKXSJXPQXXYCN-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000353849687 354185800 /nfs/dbraw/zinc/18/58/00/354185800.db2.gz YNKXSJXPQXXYCN-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000353849688 354185339 /nfs/dbraw/zinc/18/53/39/354185339.db2.gz YNKXSJXPQXXYCN-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000353849689 354185409 /nfs/dbraw/zinc/18/54/09/354185409.db2.gz YNKXSJXPQXXYCN-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000353853310 387284092 /nfs/dbraw/zinc/28/40/92/387284092.db2.gz FEXYDLWOAUFIDT-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000353853311 387284191 /nfs/dbraw/zinc/28/41/91/387284191.db2.gz FEXYDLWOAUFIDT-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000353853312 354291201 /nfs/dbraw/zinc/29/12/01/354291201.db2.gz FEXYDLWOAUFIDT-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000353853313 354291461 /nfs/dbraw/zinc/29/14/61/354291461.db2.gz FEXYDLWOAUFIDT-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO CC1=CC[N@H+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000353853905 168115088 /nfs/dbraw/zinc/11/50/88/168115088.db2.gz HFGKZCSPWQOABM-UHFFFAOYSA-N 1 0 245.297 3.724 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC000353854360 176197544 /nfs/dbraw/zinc/19/75/44/176197544.db2.gz JQSOIISVHSRXBH-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC000353854361 177184249 /nfs/dbraw/zinc/18/42/49/177184249.db2.gz JQSOIISVHSRXBH-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC000353854362 177197958 /nfs/dbraw/zinc/19/79/58/177197958.db2.gz JQSOIISVHSRXBH-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc(F)c1F ZINC000353854363 177185135 /nfs/dbraw/zinc/18/51/35/177185135.db2.gz JQSOIISVHSRXBH-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[NH+](Cc2coc3ccccc23)C[C@@H]1C ZINC000353854572 177270152 /nfs/dbraw/zinc/27/01/52/177270152.db2.gz KNSZZSRJDIINEO-RYUDHWBXSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1C ZINC000353854573 176311147 /nfs/dbraw/zinc/31/11/47/176311147.db2.gz KNSZZSRJDIINEO-TXEJJXNPSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@@H]1C[NH+](Cc2coc3ccccc23)C[C@H]1C ZINC000353854574 176311017 /nfs/dbraw/zinc/31/10/17/176311017.db2.gz KNSZZSRJDIINEO-VXGBXAGGSA-N 1 0 229.323 3.521 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000353855265 387284937 /nfs/dbraw/zinc/28/49/37/387284937.db2.gz CFGOPBGWHOUTLH-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000353855266 387283990 /nfs/dbraw/zinc/28/39/90/387283990.db2.gz CFGOPBGWHOUTLH-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000353855608 387284893 /nfs/dbraw/zinc/28/48/93/387284893.db2.gz DYCYIIMQVOPEQP-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000353855609 168455533 /nfs/dbraw/zinc/45/55/33/168455533.db2.gz DYCYIIMQVOPEQP-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000353855610 387284820 /nfs/dbraw/zinc/28/48/20/387284820.db2.gz DYCYIIMQVOPEQP-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000353855611 387285001 /nfs/dbraw/zinc/28/50/01/387285001.db2.gz DYCYIIMQVOPEQP-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000353857880 176197244 /nfs/dbraw/zinc/19/72/44/176197244.db2.gz SXCVGFBPLPCGAF-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000353857881 177183123 /nfs/dbraw/zinc/18/31/23/177183123.db2.gz SXCVGFBPLPCGAF-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000353857882 177197838 /nfs/dbraw/zinc/19/78/38/177197838.db2.gz SXCVGFBPLPCGAF-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000353857883 177185256 /nfs/dbraw/zinc/18/52/56/177185256.db2.gz SXCVGFBPLPCGAF-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)s1 ZINC000353857889 387287606 /nfs/dbraw/zinc/28/76/06/387287606.db2.gz SXNBCQNZEIOBAD-GHMZBOCLSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)s1 ZINC000353857890 387288432 /nfs/dbraw/zinc/28/84/32/387288432.db2.gz SXNBCQNZEIOBAD-MNOVXSKESA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)s1 ZINC000353857891 387287923 /nfs/dbraw/zinc/28/79/23/387287923.db2.gz SXNBCQNZEIOBAD-QWRGUYRKSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)s1 ZINC000353857892 387284072 /nfs/dbraw/zinc/28/40/72/387284072.db2.gz SXNBCQNZEIOBAD-WDEREUQCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cccc(CCC[NH2+][C@@H](C)CCC(C)C)n1 ZINC000353858726 179056472 /nfs/dbraw/zinc/05/64/72/179056472.db2.gz UNBOISAVZKSLBC-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccc(CCC[NH2+][C@H](C)CCC(C)C)n1 ZINC000353858727 179056609 /nfs/dbraw/zinc/05/66/09/179056609.db2.gz UNBOISAVZKSLBC-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000353862640 176197958 /nfs/dbraw/zinc/19/79/58/176197958.db2.gz DSQOCXAEUISUAQ-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000353862641 177183089 /nfs/dbraw/zinc/18/30/89/177183089.db2.gz DSQOCXAEUISUAQ-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000353862642 177198474 /nfs/dbraw/zinc/19/84/74/177198474.db2.gz DSQOCXAEUISUAQ-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(F)ccc1F ZINC000353862643 177184804 /nfs/dbraw/zinc/18/48/04/177184804.db2.gz DSQOCXAEUISUAQ-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2ccco2)C1 ZINC000353862922 387286935 /nfs/dbraw/zinc/28/69/35/387286935.db2.gz FIKPFIJRWGQKAM-AWEZNQCLSA-N 1 0 221.344 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BHADRO CCC1(CC)CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000353880444 387289891 /nfs/dbraw/zinc/28/98/91/387289891.db2.gz YRZTYUNOLWEFEY-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC[N@H+](Cc1coc2ccccc12)C1CCC1 ZINC000353881054 356723428 /nfs/dbraw/zinc/72/34/28/356723428.db2.gz PMNGKZOVYDYFOA-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)o1 ZINC000353883863 387290101 /nfs/dbraw/zinc/29/01/01/387290101.db2.gz VRKZFVJXWATPPR-NEPJUHHUSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)o1 ZINC000353883864 387290093 /nfs/dbraw/zinc/29/00/93/387290093.db2.gz VRKZFVJXWATPPR-NWDGAFQWSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)o1 ZINC000353883865 387290381 /nfs/dbraw/zinc/29/03/81/387290381.db2.gz VRKZFVJXWATPPR-RYUDHWBXSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)o1 ZINC000353883866 387289784 /nfs/dbraw/zinc/28/97/84/387289784.db2.gz VRKZFVJXWATPPR-VXGBXAGGSA-N 1 0 221.344 3.599 20 0 BHADRO 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227.735 3.553 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H]2C(C)C)o1 ZINC000353893691 355090460 /nfs/dbraw/zinc/09/04/60/355090460.db2.gz BAWMJOANXPCBBH-AWEZNQCLSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(C)C)o1 ZINC000353893692 355090314 /nfs/dbraw/zinc/09/03/14/355090314.db2.gz BAWMJOANXPCBBH-CQSZACIVSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)o1 ZINC000353896418 355148893 /nfs/dbraw/zinc/14/88/93/355148893.db2.gz HGAQSDKQNGOLJQ-DZGCQCFKSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)o1 ZINC000353896434 355149800 /nfs/dbraw/zinc/14/98/00/355149800.db2.gz HGAQSDKQNGOLJQ-HIFRSBDPSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)o1 ZINC000353896464 355155260 /nfs/dbraw/zinc/15/52/60/355155260.db2.gz HGAQSDKQNGOLJQ-UKRRQHHQSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000353896486 355156439 /nfs/dbraw/zinc/15/64/39/355156439.db2.gz HGAQSDKQNGOLJQ-ZFWWWQNUSA-N 1 0 233.355 3.743 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000353898013 387287200 /nfs/dbraw/zinc/28/72/00/387287200.db2.gz JIIQDEHYGCMFMX-CYBMUJFWSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000353898014 387288102 /nfs/dbraw/zinc/28/81/02/387288102.db2.gz JIIQDEHYGCMFMX-ZDUSSCGKSA-N 1 0 223.385 3.759 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000353899580 179516310 /nfs/dbraw/zinc/51/63/10/179516310.db2.gz LXAIRVPDIJYSBR-INIZCTEOSA-N 1 0 245.366 3.910 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000353899581 387294979 /nfs/dbraw/zinc/29/49/79/387294979.db2.gz LXAIRVPDIJYSBR-MRXNPFEDSA-N 1 0 245.366 3.910 20 0 BHADRO Cc1ccoc1C[N@H+]1CCCC[C@@H]1C(C)C ZINC000353900254 387294807 /nfs/dbraw/zinc/29/48/07/387294807.db2.gz NZWMLDBLVYPLCI-CYBMUJFWSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@H+]1CCCC[C@H]1C(C)C ZINC000353900255 387294105 /nfs/dbraw/zinc/29/41/05/387294105.db2.gz NZWMLDBLVYPLCI-ZDUSSCGKSA-N 1 0 221.344 3.599 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000353900860 386257525 /nfs/dbraw/zinc/25/75/25/386257525.db2.gz PSJQMGNJMQVUSV-HNNXBMFYSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000353900861 386257150 /nfs/dbraw/zinc/25/71/50/386257150.db2.gz PSJQMGNJMQVUSV-OAHLLOKOSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000353901010 387293990 /nfs/dbraw/zinc/29/39/90/387293990.db2.gz PBXONUYMDYMMNY-INIZCTEOSA-N 1 0 245.366 3.910 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)o1 ZINC000353901012 387294031 /nfs/dbraw/zinc/29/40/31/387294031.db2.gz PBXONUYMDYMMNY-MRXNPFEDSA-N 1 0 245.366 3.910 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)s1 ZINC000353901739 387294054 /nfs/dbraw/zinc/29/40/54/387294054.db2.gz SDQOPBHWAKGTAR-GHMZBOCLSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000353901744 387294221 /nfs/dbraw/zinc/29/42/21/387294221.db2.gz SDQOPBHWAKGTAR-MNOVXSKESA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)s1 ZINC000353901745 387293901 /nfs/dbraw/zinc/29/39/01/387293901.db2.gz SDQOPBHWAKGTAR-QWRGUYRKSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)s1 ZINC000353901746 387295319 /nfs/dbraw/zinc/29/53/19/387295319.db2.gz SDQOPBHWAKGTAR-WDEREUQCSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccoc1C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000353904003 387293539 /nfs/dbraw/zinc/29/35/39/387293539.db2.gz XETXCQXFHVCSMA-AAEUAGOBSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000353904004 387294388 /nfs/dbraw/zinc/29/43/88/387294388.db2.gz XETXCQXFHVCSMA-DGCLKSJQSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000353904005 387295267 /nfs/dbraw/zinc/29/52/67/387295267.db2.gz XETXCQXFHVCSMA-WCQYABFASA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000353904009 387294965 /nfs/dbraw/zinc/29/49/65/387294965.db2.gz XETXCQXFHVCSMA-YPMHNXCESA-N 1 0 221.344 3.599 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000353907159 387294537 /nfs/dbraw/zinc/29/45/37/387294537.db2.gz CCINTDLOXJEOCF-INIZCTEOSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000353907161 387293934 /nfs/dbraw/zinc/29/39/34/387293934.db2.gz CCINTDLOXJEOCF-MRXNPFEDSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2nccs2)C1 ZINC000353908709 387294209 /nfs/dbraw/zinc/29/42/09/387294209.db2.gz CYYAYVSLKUBEBN-CYBMUJFWSA-N 1 0 238.400 3.545 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2nccs2)C1 ZINC000353908710 387294662 /nfs/dbraw/zinc/29/46/62/387294662.db2.gz CYYAYVSLKUBEBN-ZDUSSCGKSA-N 1 0 238.400 3.545 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2cccnc2C)C1 ZINC000353910159 387297510 /nfs/dbraw/zinc/29/75/10/387297510.db2.gz FOKHEIVZANCKFN-INIZCTEOSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2cccnc2C)C1 ZINC000353910163 387297049 /nfs/dbraw/zinc/29/70/49/387297049.db2.gz FOKHEIVZANCKFN-MRXNPFEDSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(C)s1 ZINC000353920989 178007857 /nfs/dbraw/zinc/00/78/57/178007857.db2.gz BRPLSMPQTKRSQW-BETUJISGSA-N 1 0 235.396 3.597 20 0 BHADRO Cc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(C)s1 ZINC000353920990 178008512 /nfs/dbraw/zinc/00/85/12/178008512.db2.gz BRPLSMPQTKRSQW-CHWSQXEVSA-N 1 0 235.396 3.597 20 0 BHADRO Cc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(C)s1 ZINC000353920991 178005425 /nfs/dbraw/zinc/00/54/25/178005425.db2.gz BRPLSMPQTKRSQW-STQMWFEESA-N 1 0 235.396 3.597 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000353924240 176197658 /nfs/dbraw/zinc/19/76/58/176197658.db2.gz PVHVQAPKZSSCRJ-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000353924246 177183209 /nfs/dbraw/zinc/18/32/09/177183209.db2.gz PVHVQAPKZSSCRJ-MNOVXSKESA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000353924253 177198125 /nfs/dbraw/zinc/19/81/25/177198125.db2.gz PVHVQAPKZSSCRJ-QWRGUYRKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(F)cc1F ZINC000353924262 177184613 /nfs/dbraw/zinc/18/46/13/177184613.db2.gz PVHVQAPKZSSCRJ-WDEREUQCSA-N 1 0 239.309 3.585 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000353930431 387300068 /nfs/dbraw/zinc/30/00/68/387300068.db2.gz FRRVFLZSEYSIOQ-CABCVRRESA-N 1 0 249.423 3.793 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000353930432 387300204 /nfs/dbraw/zinc/30/02/04/387300204.db2.gz FRRVFLZSEYSIOQ-GJZGRUSLSA-N 1 0 249.423 3.793 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000353930433 387300329 /nfs/dbraw/zinc/30/03/29/387300329.db2.gz FRRVFLZSEYSIOQ-HUUCEWRRSA-N 1 0 249.423 3.793 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000353930434 387299928 /nfs/dbraw/zinc/29/99/28/387299928.db2.gz FRRVFLZSEYSIOQ-LSDHHAIUSA-N 1 0 249.423 3.793 20 0 BHADRO CC(C)n1nccc1C[NH2+]CCCC1CCCC1 ZINC000353930667 384547886 /nfs/dbraw/zinc/54/78/86/384547886.db2.gz HIBIPAACLGZGDQ-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000353930826 176198034 /nfs/dbraw/zinc/19/80/34/176198034.db2.gz SQVXGEWKYPSQMX-CHWSQXEVSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000353930828 177183625 /nfs/dbraw/zinc/18/36/25/177183625.db2.gz SQVXGEWKYPSQMX-OLZOCXBDSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc2cc[nH]c21 ZINC000353930838 177185282 /nfs/dbraw/zinc/18/52/82/177185282.db2.gz SQVXGEWKYPSQMX-QWHCGFSZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000353930844 177198183 /nfs/dbraw/zinc/19/81/83/177198183.db2.gz SQVXGEWKYPSQMX-STQMWFEESA-N 1 0 242.366 3.788 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC2CC2)o1 ZINC000353931584 136300979 /nfs/dbraw/zinc/30/09/79/136300979.db2.gz IZFMMGDYKWKJRU-BXUZGUMPSA-N 1 0 233.355 3.771 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC2CC2)o1 ZINC000353931585 136300968 /nfs/dbraw/zinc/30/09/68/136300968.db2.gz IZFMMGDYKWKJRU-FZMZJTMJSA-N 1 0 233.355 3.771 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC2CC2)o1 ZINC000353931586 136301276 /nfs/dbraw/zinc/30/12/76/136301276.db2.gz IZFMMGDYKWKJRU-RISCZKNCSA-N 1 0 233.355 3.771 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC2CC2)o1 ZINC000353931587 136300987 /nfs/dbraw/zinc/30/09/87/136300987.db2.gz IZFMMGDYKWKJRU-SMDDNHRTSA-N 1 0 233.355 3.771 20 0 BHADRO Cc1ccc(CCC[NH2+][C@@H](C)CCC(C)C)cn1 ZINC000353931631 187373468 /nfs/dbraw/zinc/37/34/68/187373468.db2.gz JKNQJQWZJQUYTF-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(CCC[NH2+][C@H](C)CCC(C)C)cn1 ZINC000353931632 387299494 /nfs/dbraw/zinc/29/94/94/387299494.db2.gz JKNQJQWZJQUYTF-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCc1cccc(F)c1C[NH2+]Cc1ccsc1 ZINC000353932103 387300196 /nfs/dbraw/zinc/30/01/96/387300196.db2.gz LRZINSNSAYIUAL-UHFFFAOYSA-N 1 0 249.354 3.739 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000353934759 170640881 /nfs/dbraw/zinc/64/08/81/170640881.db2.gz RIDRJDWEHZNJCJ-CYBMUJFWSA-N 1 0 237.412 3.650 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353934760 387302374 /nfs/dbraw/zinc/30/23/74/387302374.db2.gz RIDRJDWEHZNJCJ-ZDUSSCGKSA-N 1 0 237.412 3.650 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000353936030 179385340 /nfs/dbraw/zinc/38/53/40/179385340.db2.gz ZIQNXEZJVJSYSN-GFCCVEGCSA-N 1 0 246.398 3.550 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000353936031 179382275 /nfs/dbraw/zinc/38/22/75/179382275.db2.gz ZIQNXEZJVJSYSN-LBPRGKRZSA-N 1 0 246.398 3.550 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1ccccn1 ZINC000353943338 387301197 /nfs/dbraw/zinc/30/11/97/387301197.db2.gz IAEHKSYGVFRWHG-NEPJUHHUSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C1C(C)(C)C1(C)C ZINC000353943339 387302497 /nfs/dbraw/zinc/30/24/97/387302497.db2.gz IAEHKSYGVFRWHG-NWDGAFQWSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1ccccn1 ZINC000353943340 355366336 /nfs/dbraw/zinc/36/63/36/355366336.db2.gz IAEHKSYGVFRWHG-RYUDHWBXSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1C(C)(C)C1(C)C)c1ccccn1 ZINC000353943342 355366402 /nfs/dbraw/zinc/36/64/02/355366402.db2.gz IAEHKSYGVFRWHG-VXGBXAGGSA-N 1 0 246.398 3.803 20 0 BHADRO CSCc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000353949145 175531520 /nfs/dbraw/zinc/53/15/20/175531520.db2.gz ZWFYGCCPOQHYGM-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000353949146 387303274 /nfs/dbraw/zinc/30/32/74/387303274.db2.gz ZWFYGCCPOQHYGM-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccco1 ZINC000353949245 387303190 /nfs/dbraw/zinc/30/31/90/387303190.db2.gz AQRWWOCNRLIKBA-SECBINFHSA-N 1 0 247.260 3.663 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccco1 ZINC000353949246 387303372 /nfs/dbraw/zinc/30/33/72/387303372.db2.gz AQRWWOCNRLIKBA-VIFPVBQESA-N 1 0 247.260 3.663 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@H]2CCC23CCC3)CCC1 ZINC000353954008 133902146 /nfs/dbraw/zinc/90/21/46/133902146.db2.gz HTRSKFIKKQKKEC-JTQLQIEISA-N 1 0 247.304 3.641 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@@H]2CCC23CCC3)CCC1 ZINC000353954009 355409795 /nfs/dbraw/zinc/40/97/95/355409795.db2.gz HTRSKFIKKQKKEC-SNVBAGLBSA-N 1 0 247.304 3.641 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000353970100 180218340 /nfs/dbraw/zinc/21/83/40/180218340.db2.gz BUHIVTNWBLHGKU-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000353970101 180218224 /nfs/dbraw/zinc/21/82/24/180218224.db2.gz BUHIVTNWBLHGKU-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCCC12CCCCC2 ZINC000353971282 180219311 /nfs/dbraw/zinc/21/93/11/180219311.db2.gz JKKXAMOXXBMIIE-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000353971880 387305422 /nfs/dbraw/zinc/30/54/22/387305422.db2.gz MKUDHPHCPVBOGQ-JTQLQIEISA-N 1 0 247.304 3.641 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000353971881 387305017 /nfs/dbraw/zinc/30/50/17/387305017.db2.gz MKUDHPHCPVBOGQ-SNVBAGLBSA-N 1 0 247.304 3.641 20 0 BHADRO C1CC(C([NH2+][C@H]2CCC23CCC3)C2CCC2)C1 ZINC000353977101 187209780 /nfs/dbraw/zinc/20/97/80/187209780.db2.gz ZGCVUBBNSXDCMN-AWEZNQCLSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC(C([NH2+][C@@H]2CCC23CCC3)C2CCC2)C1 ZINC000353977104 187721572 /nfs/dbraw/zinc/72/15/72/187721572.db2.gz ZGCVUBBNSXDCMN-CQSZACIVSA-N 1 0 233.399 3.878 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000353977823 355715241 /nfs/dbraw/zinc/71/52/41/355715241.db2.gz JNIOQDSPNNNGDC-CYBMUJFWSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000353977824 355715132 /nfs/dbraw/zinc/71/51/32/355715132.db2.gz JNIOQDSPNNNGDC-ZDUSSCGKSA-N 1 0 221.344 3.538 20 0 BHADRO c1ccc([C@@H]2[N@H+](CC3CC3)CC23CCC3)cc1 ZINC000353985513 387306917 /nfs/dbraw/zinc/30/69/17/387306917.db2.gz CRPGTENOUMOWPX-HNNXBMFYSA-N 1 0 227.351 3.624 20 0 BHADRO c1ccc([C@H]2[N@H+](CC3CC3)CC23CCC3)cc1 ZINC000353985514 355739570 /nfs/dbraw/zinc/73/95/70/355739570.db2.gz CRPGTENOUMOWPX-OAHLLOKOSA-N 1 0 227.351 3.624 20 0 BHADRO CSCc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000353987120 387307066 /nfs/dbraw/zinc/30/70/66/387307066.db2.gz NFLZMYHRJZDFAS-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000353987121 387307487 /nfs/dbraw/zinc/30/74/87/387307487.db2.gz NFLZMYHRJZDFAS-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000353994376 175530991 /nfs/dbraw/zinc/53/09/91/175530991.db2.gz BAVKZPLCSOQUOS-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000353994377 387307151 /nfs/dbraw/zinc/30/71/51/387307151.db2.gz BAVKZPLCSOQUOS-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cccnc1C ZINC000353998354 387308919 /nfs/dbraw/zinc/30/89/19/387308919.db2.gz UFNUFCWKQKSJJT-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cccnc1C ZINC000353998355 355797097 /nfs/dbraw/zinc/79/70/97/355797097.db2.gz UFNUFCWKQKSJJT-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cccnc1C ZINC000353998356 355797360 /nfs/dbraw/zinc/79/73/60/355797360.db2.gz UFNUFCWKQKSJJT-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccnc1C ZINC000353998357 355797563 /nfs/dbraw/zinc/79/75/63/355797563.db2.gz UFNUFCWKQKSJJT-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000354007113 356728759 /nfs/dbraw/zinc/72/87/59/356728759.db2.gz BHNKWCXVXAICPW-CHWSQXEVSA-N 1 0 221.344 3.709 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000354007114 356728505 /nfs/dbraw/zinc/72/85/05/356728505.db2.gz BHNKWCXVXAICPW-OLZOCXBDSA-N 1 0 221.344 3.709 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000354007115 356728676 /nfs/dbraw/zinc/72/86/76/356728676.db2.gz BHNKWCXVXAICPW-QWHCGFSZSA-N 1 0 221.344 3.709 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000354007116 356728776 /nfs/dbraw/zinc/72/87/76/356728776.db2.gz BHNKWCXVXAICPW-STQMWFEESA-N 1 0 221.344 3.709 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000354009064 168305905 /nfs/dbraw/zinc/30/59/05/168305905.db2.gz KRIUOTQDUCQSKB-CYBMUJFWSA-N 1 0 221.344 3.680 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000354009066 168303688 /nfs/dbraw/zinc/30/36/88/168303688.db2.gz KRIUOTQDUCQSKB-ZDUSSCGKSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)C[N@H+](Cc1ccn(C)c1)CC(C)(C)C ZINC000354012330 356729232 /nfs/dbraw/zinc/72/92/32/356729232.db2.gz YTWACXDWAGBYOA-UHFFFAOYSA-N 1 0 236.403 3.529 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354016472 177045761 /nfs/dbraw/zinc/04/57/61/177045761.db2.gz ZVBMVCIPIQBAMY-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354016473 176029850 /nfs/dbraw/zinc/02/98/50/176029850.db2.gz ZVBMVCIPIQBAMY-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354016474 177169847 /nfs/dbraw/zinc/16/98/47/177169847.db2.gz ZVBMVCIPIQBAMY-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354016475 176030613 /nfs/dbraw/zinc/03/06/13/176030613.db2.gz ZVBMVCIPIQBAMY-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cccc(C)c1 ZINC000354018426 388543528 /nfs/dbraw/zinc/54/35/28/388543528.db2.gz PYVWMSPRWGEKNC-AEGPPILISA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccc(C)c1 ZINC000354018427 388543431 /nfs/dbraw/zinc/54/34/31/388543431.db2.gz PYVWMSPRWGEKNC-QEJZJMRPSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cccc(C)c1 ZINC000354018428 388544169 /nfs/dbraw/zinc/54/41/69/388544169.db2.gz PYVWMSPRWGEKNC-SNPRPXQTSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccc(C)c1 ZINC000354018429 388543450 /nfs/dbraw/zinc/54/34/50/388543450.db2.gz PYVWMSPRWGEKNC-VHDGCEQUSA-N 1 0 249.423 3.787 20 0 BHADRO Cc1cc(C)c(C[N@H+](C)Cc2ccc[nH]2)cc1C ZINC000354025711 387313778 /nfs/dbraw/zinc/31/37/78/387313778.db2.gz IETDFLAFFKMJJW-UHFFFAOYSA-N 1 0 242.366 3.572 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2CCC(C)C)nc1 ZINC000354025724 387313111 /nfs/dbraw/zinc/31/31/11/387313111.db2.gz ILFBRPSGUULXEU-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2CCC(C)C)nc1 ZINC000354025725 387313225 /nfs/dbraw/zinc/31/32/25/387313225.db2.gz ILFBRPSGUULXEU-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000354025793 180220396 /nfs/dbraw/zinc/22/03/96/180220396.db2.gz JMDOJZNJUOULOQ-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000354025794 180218227 /nfs/dbraw/zinc/21/82/27/180218227.db2.gz JMDOJZNJUOULOQ-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cc(C)c(C[N@H+](C)Cc2ccc[nH]2)c(C)c1 ZINC000354026265 387314118 /nfs/dbraw/zinc/31/41/18/387314118.db2.gz QEISMGNPFZNULV-UHFFFAOYSA-N 1 0 242.366 3.572 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000354030049 387316045 /nfs/dbraw/zinc/31/60/45/387316045.db2.gz RIVKOAIDKUVZJB-DZGCQCFKSA-N 1 0 248.345 3.616 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000354030050 187374615 /nfs/dbraw/zinc/37/46/15/187374615.db2.gz RIVKOAIDKUVZJB-HIFRSBDPSA-N 1 0 248.345 3.616 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000354030051 387315498 /nfs/dbraw/zinc/31/54/98/387315498.db2.gz RIVKOAIDKUVZJB-UKRRQHHQSA-N 1 0 248.345 3.616 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000354030052 187721702 /nfs/dbraw/zinc/72/17/02/187721702.db2.gz RIVKOAIDKUVZJB-ZFWWWQNUSA-N 1 0 248.345 3.616 20 0 BHADRO Fc1ccc(C2=CC[C@H]([NH2+]C3CCC3)CC2)cc1 ZINC000354030606 180962823 /nfs/dbraw/zinc/96/28/23/180962823.db2.gz VUGWVEVGADLTNO-INIZCTEOSA-N 1 0 245.341 3.904 20 0 BHADRO Fc1ccc(C2=CC[C@@H]([NH2+]C3CCC3)CC2)cc1 ZINC000354030607 180962335 /nfs/dbraw/zinc/96/23/35/180962335.db2.gz VUGWVEVGADLTNO-MRXNPFEDSA-N 1 0 245.341 3.904 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000354034888 387317323 /nfs/dbraw/zinc/31/73/23/387317323.db2.gz UOBGUXIZGLCITB-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000354034889 169373197 /nfs/dbraw/zinc/37/31/97/169373197.db2.gz UOBGUXIZGLCITB-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000354034890 169374191 /nfs/dbraw/zinc/37/41/91/169374191.db2.gz UOBGUXIZGLCITB-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000354034891 387318253 /nfs/dbraw/zinc/31/82/53/387318253.db2.gz UOBGUXIZGLCITB-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354042257 177043697 /nfs/dbraw/zinc/04/36/97/177043697.db2.gz MAYOBFYRJKHOTJ-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354042258 176027443 /nfs/dbraw/zinc/02/74/43/176027443.db2.gz MAYOBFYRJKHOTJ-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354042259 177170162 /nfs/dbraw/zinc/17/01/62/177170162.db2.gz MAYOBFYRJKHOTJ-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354042260 176027813 /nfs/dbraw/zinc/02/78/13/176027813.db2.gz MAYOBFYRJKHOTJ-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000354044544 356729328 /nfs/dbraw/zinc/72/93/28/356729328.db2.gz JPKPXTZEQDNPKE-CYBMUJFWSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000354044545 387320307 /nfs/dbraw/zinc/32/03/07/387320307.db2.gz JPKPXTZEQDNPKE-ZDUSSCGKSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccsc1 ZINC000354045177 170701632 /nfs/dbraw/zinc/70/16/32/170701632.db2.gz RCWGFJRHMSEHEM-LLVKDONJSA-N 1 0 211.374 3.616 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccsc1 ZINC000354045178 171278494 /nfs/dbraw/zinc/27/84/94/171278494.db2.gz RCWGFJRHMSEHEM-NSHDSACASA-N 1 0 211.374 3.616 20 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3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000354078204 387327271 /nfs/dbraw/zinc/32/72/71/387327271.db2.gz ORFJZKYDAVPACE-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000354097064 387329789 /nfs/dbraw/zinc/32/97/89/387329789.db2.gz MWVQBUSZAPACCA-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000354097065 387330516 /nfs/dbraw/zinc/33/05/16/387330516.db2.gz MWVQBUSZAPACCA-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000354100366 386592052 /nfs/dbraw/zinc/59/20/52/386592052.db2.gz LMUDIDJEZPTQNV-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000354100367 386591467 /nfs/dbraw/zinc/59/14/67/386591467.db2.gz LMUDIDJEZPTQNV-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354100415 171200532 /nfs/dbraw/zinc/20/05/32/171200532.db2.gz MGBUIKTVWSYUFP-LBPRGKRZSA-N 1 0 227.735 3.555 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000354101297 387329306 /nfs/dbraw/zinc/32/93/06/387329306.db2.gz SGRYIHNVDLNZHB-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000354101298 387330375 /nfs/dbraw/zinc/33/03/75/387330375.db2.gz SGRYIHNVDLNZHB-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000354106731 387329846 /nfs/dbraw/zinc/32/98/46/387329846.db2.gz LHWVUZYMTCKIOE-CYBMUJFWSA-N 1 0 241.334 3.665 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000354106732 387329523 /nfs/dbraw/zinc/32/95/23/387329523.db2.gz LHWVUZYMTCKIOE-ZDUSSCGKSA-N 1 0 241.334 3.665 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2ccc(C)s2)C1 ZINC000354107093 171713760 /nfs/dbraw/zinc/71/37/60/171713760.db2.gz NNHRJTHGAZHPHQ-CYBMUJFWSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C)s2)C1 ZINC000354107094 171201138 /nfs/dbraw/zinc/20/11/38/171201138.db2.gz NNHRJTHGAZHPHQ-ZDUSSCGKSA-N 1 0 223.385 3.679 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000354107111 175517465 /nfs/dbraw/zinc/51/74/65/175517465.db2.gz NTINRGPDQGRKGI-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000354107112 387332752 /nfs/dbraw/zinc/33/27/52/387332752.db2.gz NTINRGPDQGRKGI-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC1(OC)CCC1 ZINC000354109658 168315151 /nfs/dbraw/zinc/31/51/51/168315151.db2.gz MZOQODRYNFYFDQ-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000354111821 387332271 /nfs/dbraw/zinc/33/22/71/387332271.db2.gz VKVAQTCQSIFUQF-CYBMUJFWSA-N 1 0 221.344 3.600 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000354111822 387331435 /nfs/dbraw/zinc/33/14/35/387331435.db2.gz VKVAQTCQSIFUQF-ZDUSSCGKSA-N 1 0 221.344 3.600 20 0 BHADRO CCSCC[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000354118999 387331396 /nfs/dbraw/zinc/33/13/96/387331396.db2.gz YMIRJCOPFOGDIL-CABCVRRESA-N 1 0 249.423 3.523 20 0 BHADRO CCSCC[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000354119000 387331931 /nfs/dbraw/zinc/33/19/31/387331931.db2.gz YMIRJCOPFOGDIL-GJZGRUSLSA-N 1 0 249.423 3.523 20 0 BHADRO CCSCC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000354119001 387331682 /nfs/dbraw/zinc/33/16/82/387331682.db2.gz YMIRJCOPFOGDIL-HUUCEWRRSA-N 1 0 249.423 3.523 20 0 BHADRO CCSCC[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000354119002 387332035 /nfs/dbraw/zinc/33/20/35/387332035.db2.gz YMIRJCOPFOGDIL-LSDHHAIUSA-N 1 0 249.423 3.523 20 0 BHADRO c1coc(C[N@@H+]2CCCC23CCCCC3)c1 ZINC000354130505 387334474 /nfs/dbraw/zinc/33/44/74/387334474.db2.gz KXMRSCBDBWLBHU-UHFFFAOYSA-N 1 0 219.328 3.578 20 0 BHADRO CC[C@@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354130612 132269192 /nfs/dbraw/zinc/26/91/92/132269192.db2.gz BAUFUAFWFUZCCA-LLVKDONJSA-N 1 0 238.762 3.670 20 0 BHADRO CC[C@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354130624 132269399 /nfs/dbraw/zinc/26/93/99/132269399.db2.gz BAUFUAFWFUZCCA-NSHDSACASA-N 1 0 238.762 3.670 20 0 BHADRO CC[C@]1(C)CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354155239 385792028 /nfs/dbraw/zinc/79/20/28/385792028.db2.gz JXWVURJFVPZYGO-CYBMUJFWSA-N 1 0 238.762 3.670 20 0 BHADRO CC[C@@]1(C)CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000354155240 171202217 /nfs/dbraw/zinc/20/22/17/171202217.db2.gz JXWVURJFVPZYGO-ZDUSSCGKSA-N 1 0 238.762 3.670 20 0 BHADRO Cc1[nH+]ccc(N(C)[C@@H](C)C2(C)CC2)c1Cl ZINC000354166899 191140360 /nfs/dbraw/zinc/14/03/60/191140360.db2.gz ZKVYBGJXOCVATB-JTQLQIEISA-N 1 0 238.762 3.668 20 0 BHADRO Cc1[nH+]ccc(N(C)[C@H](C)C2(C)CC2)c1Cl ZINC000354166900 385832633 /nfs/dbraw/zinc/83/26/33/385832633.db2.gz ZKVYBGJXOCVATB-SNVBAGLBSA-N 1 0 238.762 3.668 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1cccnc1 ZINC000354167190 387340561 /nfs/dbraw/zinc/34/05/61/387340561.db2.gz WJTIQQNMSSYYRS-NEPJUHHUSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C1C(C)(C)C1(C)C ZINC000354167191 387340722 /nfs/dbraw/zinc/34/07/22/387340722.db2.gz WJTIQQNMSSYYRS-NWDGAFQWSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1cccnc1 ZINC000354167192 387341478 /nfs/dbraw/zinc/34/14/78/387341478.db2.gz WJTIQQNMSSYYRS-RYUDHWBXSA-N 1 0 246.398 3.803 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1C(C)(C)C1(C)C)c1cccnc1 ZINC000354167193 387340358 /nfs/dbraw/zinc/34/03/58/387340358.db2.gz WJTIQQNMSSYYRS-VXGBXAGGSA-N 1 0 246.398 3.803 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@@H](C)F ZINC000354201246 168314160 /nfs/dbraw/zinc/31/41/60/168314160.db2.gz VFOAQNDFIBMTDS-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@H](C)F ZINC000354201247 168315233 /nfs/dbraw/zinc/31/52/33/168315233.db2.gz VFOAQNDFIBMTDS-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000354304587 171115543 /nfs/dbraw/zinc/11/55/43/171115543.db2.gz OJWKGUJMSBDXFN-APHBMKBZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000354304591 171125998 /nfs/dbraw/zinc/12/59/98/171125998.db2.gz OJWKGUJMSBDXFN-DAXOMENPSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000354304593 171115870 /nfs/dbraw/zinc/11/58/70/171115870.db2.gz OJWKGUJMSBDXFN-MAZHCROVSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000354304596 171126515 /nfs/dbraw/zinc/12/65/15/171126515.db2.gz OJWKGUJMSBDXFN-WQVCFCJDSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)n1nccc1C[NH2+]C1(C)CCC(C)CC1 ZINC000354332080 168152450 /nfs/dbraw/zinc/15/24/50/168152450.db2.gz GVHIBOGHDDUZNV-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000354334383 387362300 /nfs/dbraw/zinc/36/23/00/387362300.db2.gz NCQKDVJXQUHJCG-DZGCQCFKSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000354334385 387362421 /nfs/dbraw/zinc/36/24/21/387362421.db2.gz NCQKDVJXQUHJCG-HIFRSBDPSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000354334386 387362305 /nfs/dbraw/zinc/36/23/05/387362305.db2.gz NCQKDVJXQUHJCG-UKRRQHHQSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000354334387 387361932 /nfs/dbraw/zinc/36/19/32/387361932.db2.gz NCQKDVJXQUHJCG-ZFWWWQNUSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CCCCC(C)(C)C ZINC000354335378 387361018 /nfs/dbraw/zinc/36/10/18/387361018.db2.gz RIASLHWBZPVALQ-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C2CCC2)o1 ZINC000354398155 387370644 /nfs/dbraw/zinc/37/06/44/387370644.db2.gz FUUFJCDZMDPOIS-AAEUAGOBSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C2CCC2)o1 ZINC000354398166 387370564 /nfs/dbraw/zinc/37/05/64/387370564.db2.gz FUUFJCDZMDPOIS-DGCLKSJQSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C2CCC2)o1 ZINC000354398167 387369263 /nfs/dbraw/zinc/36/92/63/387369263.db2.gz FUUFJCDZMDPOIS-WCQYABFASA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C2CCC2)o1 ZINC000354398169 187210122 /nfs/dbraw/zinc/21/01/22/187210122.db2.gz FUUFJCDZMDPOIS-YPMHNXCESA-N 1 0 235.371 3.687 20 0 BHADRO CC(C)n1nccc1C[NH2+]C1CCC(C)(C)CC1 ZINC000354398273 388544203 /nfs/dbraw/zinc/54/42/03/388544203.db2.gz GEMOZUOLTWRXTC-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1(C[NH2+]Cc2ccnn2C(C)C)CCCC1 ZINC000354453671 168479645 /nfs/dbraw/zinc/47/96/45/168479645.db2.gz DSZRNICEVPGSEA-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1ccncc1C[NH2+]CC1(CC(C)C)CCC1 ZINC000354456875 179486621 /nfs/dbraw/zinc/48/66/21/179486621.db2.gz HYLQJVUNKBWPAG-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC(C)(C)CC(C)C ZINC000354458197 388545400 /nfs/dbraw/zinc/54/54/00/388545400.db2.gz JHUBRWBWCCUECO-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2cnccc2C)CC1 ZINC000354458458 387379588 /nfs/dbraw/zinc/37/95/88/387379588.db2.gz GGCRLDFSIYAJFH-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cnccc1C ZINC000354459053 168315839 /nfs/dbraw/zinc/31/58/39/168315839.db2.gz JYSCITAYZGLJAZ-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cncnc1 ZINC000354476433 356739523 /nfs/dbraw/zinc/73/95/23/356739523.db2.gz KKZBWRSTAIHMRB-AWEZNQCLSA-N 1 0 249.402 3.657 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cncnc1 ZINC000354476436 356739540 /nfs/dbraw/zinc/73/95/40/356739540.db2.gz KKZBWRSTAIHMRB-CQSZACIVSA-N 1 0 249.402 3.657 20 0 BHADRO CCCC1(C[NH2+]Cc2ccnn2C(C)C)CCC1 ZINC000354486890 384554346 /nfs/dbraw/zinc/55/43/46/384554346.db2.gz YRKJJSQVXWPAIC-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1ccncc1C[NH2+]CCCCC1CCCC1 ZINC000354492196 387383979 /nfs/dbraw/zinc/38/39/79/387383979.db2.gz DQGYPCFDRMVBIO-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354513759 171295314 /nfs/dbraw/zinc/29/53/14/171295314.db2.gz ZFMSXMRPQJRZJR-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354513771 397960236 /nfs/dbraw/zinc/96/02/36/397960236.db2.gz ZFMSXMRPQJRZJR-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354513774 397960503 /nfs/dbraw/zinc/96/05/03/397960503.db2.gz ZFMSXMRPQJRZJR-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354513784 171297940 /nfs/dbraw/zinc/29/79/40/171297940.db2.gz ZFMSXMRPQJRZJR-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)CCC1CCCC1 ZINC000354517520 387386514 /nfs/dbraw/zinc/38/65/14/387386514.db2.gz YBWGTOWSKURDIY-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)CCC1CCCC1 ZINC000354517522 387387980 /nfs/dbraw/zinc/38/79/80/387387980.db2.gz YBWGTOWSKURDIY-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cc(Cl)cc(CN2CCC[C@@H]2CF)c1 ZINC000354518499 178063228 /nfs/dbraw/zinc/06/32/28/178063228.db2.gz AYTYOXRBLPGWQR-CYBMUJFWSA-N 1 0 241.737 3.582 20 0 BHADRO Cc1cc(Cl)cc(CN2CCC[C@H]2CF)c1 ZINC000354518507 178062932 /nfs/dbraw/zinc/06/29/32/178062932.db2.gz AYTYOXRBLPGWQR-ZDUSSCGKSA-N 1 0 241.737 3.582 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1CF ZINC000354520335 387387353 /nfs/dbraw/zinc/38/73/53/387387353.db2.gz HYQYDPJRGHJLMW-GFCCVEGCSA-N 1 0 247.313 3.675 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1CF ZINC000354520337 387386392 /nfs/dbraw/zinc/38/63/92/387386392.db2.gz HYQYDPJRGHJLMW-LBPRGKRZSA-N 1 0 247.313 3.675 20 0 BHADRO Cc1sccc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000354524020 387388852 /nfs/dbraw/zinc/38/88/52/387388852.db2.gz FHFBXRHYDVLDCJ-CYBMUJFWSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1sccc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000354524021 387390679 /nfs/dbraw/zinc/39/06/79/387390679.db2.gz FHFBXRHYDVLDCJ-ZDUSSCGKSA-N 1 0 235.396 3.679 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)o1 ZINC000354529991 385628931 /nfs/dbraw/zinc/62/89/31/385628931.db2.gz UPSUVQZMMUKFRE-LLVKDONJSA-N 1 0 239.746 3.555 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)o1 ZINC000354529995 385628655 /nfs/dbraw/zinc/62/86/55/385628655.db2.gz UPSUVQZMMUKFRE-NSHDSACASA-N 1 0 239.746 3.555 20 0 BHADRO C[C@H](CCC1CC1)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532190 385631657 /nfs/dbraw/zinc/63/16/57/385631657.db2.gz AICABCUVZWNIGV-LLVKDONJSA-N 1 0 230.355 3.561 20 0 BHADRO C[C@@H](CCC1CC1)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532191 175662703 /nfs/dbraw/zinc/66/27/03/175662703.db2.gz AICABCUVZWNIGV-NSHDSACASA-N 1 0 230.355 3.561 20 0 BHADRO c1[nH+]c(N[C@H]2CCC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354532603 387391369 /nfs/dbraw/zinc/39/13/69/387391369.db2.gz BWGHVYXIEMZWTO-CABCVRRESA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@H]2CCC[C@H]2C2CC2)cc2c1CCC2 ZINC000354532606 387391286 /nfs/dbraw/zinc/39/12/86/387391286.db2.gz BWGHVYXIEMZWTO-GJZGRUSLSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CCC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354532608 387392115 /nfs/dbraw/zinc/39/21/15/387392115.db2.gz BWGHVYXIEMZWTO-HUUCEWRRSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CCC[C@H]2C2CC2)cc2c1CCC2 ZINC000354532611 387391855 /nfs/dbraw/zinc/39/18/55/387391855.db2.gz BWGHVYXIEMZWTO-LSDHHAIUSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@H]2CC[C@@H]2C2CCC2)cc2c1CCC2 ZINC000354538302 387392575 /nfs/dbraw/zinc/39/25/75/387392575.db2.gz MDLADXVQDMNOPU-CABCVRRESA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@H]2CC[C@H]2C2CCC2)cc2c1CCC2 ZINC000354538303 183534751 /nfs/dbraw/zinc/53/47/51/183534751.db2.gz MDLADXVQDMNOPU-GJZGRUSLSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CC[C@@H]2C2CCC2)cc2c1CCC2 ZINC000354538304 387392396 /nfs/dbraw/zinc/39/23/96/387392396.db2.gz MDLADXVQDMNOPU-HUUCEWRRSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CC[C@H]2C2CCC2)cc2c1CCC2 ZINC000354538305 387391990 /nfs/dbraw/zinc/39/19/90/387391990.db2.gz MDLADXVQDMNOPU-LSDHHAIUSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(NC2CCC3(CC3)CC2)cc2c1CCC2 ZINC000354540708 387392672 /nfs/dbraw/zinc/39/26/72/387392672.db2.gz NJWHSTAGIVBDLV-UHFFFAOYSA-N 1 0 242.366 3.705 20 0 BHADRO CSC1(C[NH2+]C[C@H]2CCCC2(C)C)CCC1 ZINC000354592097 388545227 /nfs/dbraw/zinc/54/52/27/388545227.db2.gz CEVYFBFBKBXBIC-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSC1(C[NH2+]C[C@@H]2CCCC2(C)C)CCC1 ZINC000354592110 388545065 /nfs/dbraw/zinc/54/50/65/388545065.db2.gz CEVYFBFBKBXBIC-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1ccncc1C[NH+]1CCC(C)(C(C)C)CC1 ZINC000354629690 387407407 /nfs/dbraw/zinc/40/74/07/387407407.db2.gz KGQSGDGSHBPEMS-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1cccnc1 ZINC000354630494 179049196 /nfs/dbraw/zinc/04/91/96/179049196.db2.gz BZMOFTRLUBFEAA-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000354630497 179049856 /nfs/dbraw/zinc/04/98/56/179049856.db2.gz BZMOFTRLUBFEAA-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cncs1 ZINC000354634882 179049243 /nfs/dbraw/zinc/04/92/43/179049243.db2.gz IBALHVRVFIPYQJ-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1cncs1 ZINC000354634883 179049861 /nfs/dbraw/zinc/04/98/61/179049861.db2.gz IBALHVRVFIPYQJ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccccn1 ZINC000354646339 179049137 /nfs/dbraw/zinc/04/91/37/179049137.db2.gz SIHBMYFQPBWYHR-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccccn1 ZINC000354646341 179049354 /nfs/dbraw/zinc/04/93/54/179049354.db2.gz SIHBMYFQPBWYHR-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cnccc2C)CC1 ZINC000354651508 385614153 /nfs/dbraw/zinc/61/41/53/385614153.db2.gz PPWACGCENRUUAP-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccncc1 ZINC000354653461 179049639 /nfs/dbraw/zinc/04/96/39/179049639.db2.gz ZHQGFJNZJMLOHF-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccncc1 ZINC000354653462 179049086 /nfs/dbraw/zinc/04/90/86/179049086.db2.gz ZHQGFJNZJMLOHF-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CC1(C)C[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000354681941 188237124 /nfs/dbraw/zinc/23/71/24/188237124.db2.gz ZTNXAPXOGYUFPC-ZDUSSCGKSA-N 1 0 230.286 3.584 20 0 BHADRO CC(C)[N@H+](CCCCOC(C)(C)C)C1CCC1 ZINC000354727987 188236848 /nfs/dbraw/zinc/23/68/48/188236848.db2.gz HQONOZJAJYKQNE-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)c1ccncc1 ZINC000354782312 168276439 /nfs/dbraw/zinc/27/64/39/168276439.db2.gz KZIDPXNFZYADGU-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000354782321 168276720 /nfs/dbraw/zinc/27/67/20/168276720.db2.gz KZIDPXNFZYADGU-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354807024 387431202 /nfs/dbraw/zinc/43/12/02/387431202.db2.gz NPKIOOOUUAYPIF-CABCVRRESA-N 1 0 249.398 3.712 20 0 BHADRO CC[C@H](C)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354807025 171307490 /nfs/dbraw/zinc/30/74/90/171307490.db2.gz NPKIOOOUUAYPIF-GJZGRUSLSA-N 1 0 249.398 3.712 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000354807026 387431762 /nfs/dbraw/zinc/43/17/62/387431762.db2.gz NPKIOOOUUAYPIF-HUUCEWRRSA-N 1 0 249.398 3.712 20 0 BHADRO CC[C@H](C)[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000354807027 171307323 /nfs/dbraw/zinc/30/73/23/171307323.db2.gz NPKIOOOUUAYPIF-LSDHHAIUSA-N 1 0 249.398 3.712 20 0 BHADRO C[C@@H]([N@H+](C)CCCCOC(C)(C)C)C1(C)CC1 ZINC000354839779 387435973 /nfs/dbraw/zinc/43/59/73/387435973.db2.gz QUSJURNMIAAVIU-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]([N@H+](C)CCCCOC(C)(C)C)C1(C)CC1 ZINC000354839782 387435653 /nfs/dbraw/zinc/43/56/53/387435653.db2.gz QUSJURNMIAAVIU-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354860395 166936814 /nfs/dbraw/zinc/93/68/14/166936814.db2.gz LVQOFZAQGABWEY-HNNXBMFYSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)C[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000354860398 356745337 /nfs/dbraw/zinc/74/53/37/356745337.db2.gz LVQOFZAQGABWEY-OAHLLOKOSA-N 1 0 249.398 3.570 20 0 BHADRO C[C@H]1CCC[N@H+](CCCCOC(C)(C)C)CC1 ZINC000354861197 177098148 /nfs/dbraw/zinc/09/81/48/177098148.db2.gz GFFIBVOBVFJFAT-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)CC1 ZINC000354861199 176098075 /nfs/dbraw/zinc/09/80/75/176098075.db2.gz GFFIBVOBVFJFAT-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)Cc1ccccc1 ZINC000354861850 387438090 /nfs/dbraw/zinc/43/80/90/387438090.db2.gz HGTWDJGDUUWHKU-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCC[C@@H](C)O ZINC000354863520 387438139 /nfs/dbraw/zinc/43/81/39/387438139.db2.gz JLBFZXPWNCNQKM-GDBMZVCRSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCC[C@H](C)O ZINC000354863521 387438685 /nfs/dbraw/zinc/43/86/85/387438685.db2.gz JLBFZXPWNCNQKM-GOEBONIOSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC[C@H](C)O ZINC000354863524 356745356 /nfs/dbraw/zinc/74/53/56/356745356.db2.gz JLBFZXPWNCNQKM-HOCLYGCPSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC[C@@H](C)O ZINC000354863525 356745588 /nfs/dbraw/zinc/74/55/88/356745588.db2.gz JLBFZXPWNCNQKM-ZBFHGGJFSA-N 1 0 249.398 3.621 20 0 BHADRO CC[N@H+](CC[C@H](C)OCc1ccccc1)C(C)C ZINC000354871005 385772199 /nfs/dbraw/zinc/77/21/99/385772199.db2.gz LLVHYGVPINLPJQ-HNNXBMFYSA-N 1 0 249.398 3.712 20 0 BHADRO CC[N@H+](CC[C@@H](C)OCc1ccccc1)C(C)C ZINC000354871006 385771563 /nfs/dbraw/zinc/77/15/63/385771563.db2.gz LLVHYGVPINLPJQ-OAHLLOKOSA-N 1 0 249.398 3.712 20 0 BHADRO CCC[N@H+](CC)CC[C@H](C)OCc1ccccc1 ZINC000354871563 169123399 /nfs/dbraw/zinc/12/33/99/169123399.db2.gz MZNUUAIBSNIGLC-HNNXBMFYSA-N 1 0 249.398 3.714 20 0 BHADRO CCC[N@H+](CC)CC[C@@H](C)OCc1ccccc1 ZINC000354871564 169123006 /nfs/dbraw/zinc/12/30/06/169123006.db2.gz MZNUUAIBSNIGLC-OAHLLOKOSA-N 1 0 249.398 3.714 20 0 BHADRO CC(C)(C)OCCCC[NH+]1Cc2ccccc2C1 ZINC000354885724 387442729 /nfs/dbraw/zinc/44/27/29/387442729.db2.gz VFYFXVXITNQTAB-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000354900333 387444436 /nfs/dbraw/zinc/44/44/36/387444436.db2.gz BRQMDXHRERLOOU-CYBMUJFWSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000354900342 387445357 /nfs/dbraw/zinc/44/53/57/387445357.db2.gz BRQMDXHRERLOOU-ZDUSSCGKSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000354902110 387444647 /nfs/dbraw/zinc/44/46/47/387444647.db2.gz DPIXZVKGGFVDRZ-GFCCVEGCSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)o1 ZINC000354902112 387444763 /nfs/dbraw/zinc/44/47/63/387444763.db2.gz DPIXZVKGGFVDRZ-LBPRGKRZSA-N 1 0 233.355 3.600 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccsc2)CC12CCC2 ZINC000354907239 176178348 /nfs/dbraw/zinc/17/83/48/176178348.db2.gz DJSMZCLQUNFYCN-GFCCVEGCSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccsc2)CC12CCC2 ZINC000354907252 177166821 /nfs/dbraw/zinc/16/68/21/177166821.db2.gz DJSMZCLQUNFYCN-LBPRGKRZSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccs2)CC12CCC2 ZINC000354909121 176176131 /nfs/dbraw/zinc/17/61/31/176176131.db2.gz RJZOABVLKSMDEY-GFCCVEGCSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccs2)CC12CCC2 ZINC000354909124 177165571 /nfs/dbraw/zinc/16/55/71/177165571.db2.gz RJZOABVLKSMDEY-LBPRGKRZSA-N 1 0 235.396 3.760 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000354915550 384566599 /nfs/dbraw/zinc/56/65/99/384566599.db2.gz FLEFAVGIRYPNDK-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000354915553 384566898 /nfs/dbraw/zinc/56/68/98/384566898.db2.gz FLEFAVGIRYPNDK-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000354915558 384568151 /nfs/dbraw/zinc/56/81/51/384568151.db2.gz FLEFAVGIRYPNDK-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000354915562 167794801 /nfs/dbraw/zinc/79/48/01/167794801.db2.gz FLEFAVGIRYPNDK-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CSCc1cccc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000354922299 175532553 /nfs/dbraw/zinc/53/25/53/175532553.db2.gz MAPFBNZDMBSBKA-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000354922305 387449917 /nfs/dbraw/zinc/44/99/17/387449917.db2.gz MAPFBNZDMBSBKA-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO Cc1ccc(CCC[NH2+]CC(C)(C)C(C)C)cn1 ZINC000354924433 387450094 /nfs/dbraw/zinc/45/00/94/387450094.db2.gz OPZVUGXRUGMFAP-UHFFFAOYSA-N 1 0 248.414 3.594 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000354929923 167794614 /nfs/dbraw/zinc/79/46/14/167794614.db2.gz WTBCBERLGAJFSV-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000354929924 384568463 /nfs/dbraw/zinc/56/84/63/384568463.db2.gz WTBCBERLGAJFSV-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000354931724 387448999 /nfs/dbraw/zinc/44/89/99/387448999.db2.gz CBGYWJQDXLZSFQ-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000354988256 356747263 /nfs/dbraw/zinc/74/72/63/356747263.db2.gz MWKFAQTXRAYPOQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000354988257 167930438 /nfs/dbraw/zinc/93/04/38/167930438.db2.gz MWKFAQTXRAYPOQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000354988258 356747318 /nfs/dbraw/zinc/74/73/18/356747318.db2.gz MWKFAQTXRAYPOQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000354988259 349907390 /nfs/dbraw/zinc/90/73/90/349907390.db2.gz MWKFAQTXRAYPOQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC000354990330 387460003 /nfs/dbraw/zinc/46/00/03/387460003.db2.gz ROCREPLXYBYAHO-BYNQJWBRSA-N 1 0 233.355 3.776 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC000354990331 177187406 /nfs/dbraw/zinc/18/74/06/177187406.db2.gz ROCREPLXYBYAHO-NMKXLXIOSA-N 1 0 233.355 3.776 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC000354990337 177186949 /nfs/dbraw/zinc/18/69/49/177186949.db2.gz ROCREPLXYBYAHO-NRWUCQMLSA-N 1 0 233.355 3.776 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC000354990339 177200253 /nfs/dbraw/zinc/20/02/53/177200253.db2.gz ROCREPLXYBYAHO-UHXUPSOCSA-N 1 0 233.355 3.776 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccccc1Cl ZINC000354990446 176200096 /nfs/dbraw/zinc/20/00/96/176200096.db2.gz CAZHZGDBNHXQKU-GHMZBOCLSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccccc1Cl ZINC000354990447 177187755 /nfs/dbraw/zinc/18/77/55/177187755.db2.gz CAZHZGDBNHXQKU-PHIMTYICSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccccc1Cl ZINC000354990448 177199843 /nfs/dbraw/zinc/19/98/43/177199843.db2.gz CAZHZGDBNHXQKU-QWRGUYRKSA-N 1 0 223.747 3.713 20 0 BHADRO Cc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1F ZINC000354990804 387459471 /nfs/dbraw/zinc/45/94/71/387459471.db2.gz CUKNBVPXVJIARW-RYUDHWBXSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000354990805 387460550 /nfs/dbraw/zinc/46/05/50/387460550.db2.gz CUKNBVPXVJIARW-TXEJJXNPSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1F ZINC000354990806 387459371 /nfs/dbraw/zinc/45/93/71/387459371.db2.gz CUKNBVPXVJIARW-VXGBXAGGSA-N 1 0 221.319 3.507 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1coc2ccccc12 ZINC000354991444 177200147 /nfs/dbraw/zinc/20/01/47/177200147.db2.gz HESKKXUVLUBRIG-RYUDHWBXSA-N 1 0 229.323 3.806 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1coc2ccccc12 ZINC000354991445 177187323 /nfs/dbraw/zinc/18/73/23/177187323.db2.gz HESKKXUVLUBRIG-TXEJJXNPSA-N 1 0 229.323 3.806 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1coc2ccccc12 ZINC000354991451 176200279 /nfs/dbraw/zinc/20/02/79/176200279.db2.gz HESKKXUVLUBRIG-VXGBXAGGSA-N 1 0 229.323 3.806 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc2cc[nH]c21 ZINC000354992042 177199883 /nfs/dbraw/zinc/19/98/83/177199883.db2.gz JERMXVMWPHMPSP-RYUDHWBXSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2cc[nH]c21 ZINC000354992043 177187558 /nfs/dbraw/zinc/18/75/58/177187558.db2.gz JERMXVMWPHMPSP-TXEJJXNPSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc2cc[nH]c21 ZINC000354992044 176199639 /nfs/dbraw/zinc/19/96/39/176199639.db2.gz JERMXVMWPHMPSP-VXGBXAGGSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc2ccccc2o1 ZINC000354992688 177199496 /nfs/dbraw/zinc/19/94/96/177199496.db2.gz MHHNJRDCKJQZQS-RYUDHWBXSA-N 1 0 229.323 3.806 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2ccccc2o1 ZINC000354992690 177186153 /nfs/dbraw/zinc/18/61/53/177186153.db2.gz MHHNJRDCKJQZQS-TXEJJXNPSA-N 1 0 229.323 3.806 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2ccccc2o1 ZINC000354992692 176199907 /nfs/dbraw/zinc/19/99/07/176199907.db2.gz MHHNJRDCKJQZQS-VXGBXAGGSA-N 1 0 229.323 3.806 20 0 BHADRO Cc1ccc(F)c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000354993388 387461902 /nfs/dbraw/zinc/46/19/02/387461902.db2.gz ONDBFQUSMJYHLI-RYUDHWBXSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(F)c(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000354993390 387461724 /nfs/dbraw/zinc/46/17/24/387461724.db2.gz ONDBFQUSMJYHLI-TXEJJXNPSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1ccc(F)c(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000354993393 387461121 /nfs/dbraw/zinc/46/11/21/387461121.db2.gz ONDBFQUSMJYHLI-VXGBXAGGSA-N 1 0 221.319 3.507 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(Cl)cc1 ZINC000354993990 176200295 /nfs/dbraw/zinc/20/02/95/176200295.db2.gz QKHYCBSTSXMWJP-GHMZBOCLSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(Cl)cc1 ZINC000354993991 177187368 /nfs/dbraw/zinc/18/73/68/177187368.db2.gz QKHYCBSTSXMWJP-PHIMTYICSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(Cl)cc1 ZINC000354993993 177199409 /nfs/dbraw/zinc/19/94/09/177199409.db2.gz QKHYCBSTSXMWJP-QWRGUYRKSA-N 1 0 223.747 3.713 20 0 BHADRO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000354993994 178009514 /nfs/dbraw/zinc/00/95/14/178009514.db2.gz QKTLNWDYHOPWKV-AOOOYVTPSA-N 1 0 223.385 3.738 20 0 BHADRO Cc1cc(C[NH+]2[C@H](C)CC[C@H]2C)c(C)s1 ZINC000354994003 178010182 /nfs/dbraw/zinc/01/01/82/178010182.db2.gz QKTLNWDYHOPWKV-NXEZZACHSA-N 1 0 223.385 3.738 20 0 BHADRO Cc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)s1 ZINC000354994005 178009443 /nfs/dbraw/zinc/00/94/43/178009443.db2.gz QKTLNWDYHOPWKV-UWVGGRQHSA-N 1 0 223.385 3.738 20 0 BHADRO CSc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000354994587 175575522 /nfs/dbraw/zinc/57/55/22/175575522.db2.gz RMJJMOOVSYWEOP-RYUDHWBXSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000354994591 175575378 /nfs/dbraw/zinc/57/53/78/175575378.db2.gz RMJJMOOVSYWEOP-TXEJJXNPSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000354994593 385853417 /nfs/dbraw/zinc/85/34/17/385853417.db2.gz RMJJMOOVSYWEOP-VXGBXAGGSA-N 1 0 235.396 3.781 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(Cl)c1 ZINC000354994716 176200464 /nfs/dbraw/zinc/20/04/64/176200464.db2.gz SLJKWRGLPPHCHD-GHMZBOCLSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(Cl)c1 ZINC000354994718 177187415 /nfs/dbraw/zinc/18/74/15/177187415.db2.gz SLJKWRGLPPHCHD-PHIMTYICSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(Cl)c1 ZINC000354994719 177200405 /nfs/dbraw/zinc/20/04/05/177200405.db2.gz SLJKWRGLPPHCHD-QWRGUYRKSA-N 1 0 223.747 3.713 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2cc(F)ccc2o1 ZINC000354995299 176200009 /nfs/dbraw/zinc/20/00/09/176200009.db2.gz UDYDNQBJZQZSSX-GHMZBOCLSA-N 1 0 247.313 3.945 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000354995304 177186233 /nfs/dbraw/zinc/18/62/33/177186233.db2.gz UDYDNQBJZQZSSX-PHIMTYICSA-N 1 0 247.313 3.945 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc2cc(F)ccc2o1 ZINC000354995306 177199364 /nfs/dbraw/zinc/19/93/64/177199364.db2.gz UDYDNQBJZQZSSX-QWRGUYRKSA-N 1 0 247.313 3.945 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2ncccc2c1 ZINC000354996008 177187869 /nfs/dbraw/zinc/18/78/69/177187869.db2.gz WCOFWMOQSQDKEK-BETUJISGSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2ncccc2c1 ZINC000354996009 176199940 /nfs/dbraw/zinc/19/99/40/176199940.db2.gz WCOFWMOQSQDKEK-CHWSQXEVSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc2ncccc2c1 ZINC000354996010 177200296 /nfs/dbraw/zinc/20/02/96/177200296.db2.gz WCOFWMOQSQDKEK-STQMWFEESA-N 1 0 240.350 3.608 20 0 BHADRO Cc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1F ZINC000354996609 178009820 /nfs/dbraw/zinc/00/98/20/178009820.db2.gz XQYYCWIXPVUNLC-RYUDHWBXSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1F ZINC000354996611 178009932 /nfs/dbraw/zinc/00/99/32/178009932.db2.gz XQYYCWIXPVUNLC-TXEJJXNPSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1F ZINC000354996613 178009078 /nfs/dbraw/zinc/00/90/78/178009078.db2.gz XQYYCWIXPVUNLC-VXGBXAGGSA-N 1 0 221.319 3.507 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1c(F)cccc1F ZINC000355035840 387468549 /nfs/dbraw/zinc/46/85/49/387468549.db2.gz IOKAGFNKTUSTNA-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1cccc2c1OCC[C@@H]2[NH2+]CCC(C)(C)C ZINC000355055583 179220856 /nfs/dbraw/zinc/22/08/56/179220856.db2.gz QPZBSKRXPICFHT-AWEZNQCLSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+]CCC(C)(C)C ZINC000355055599 179221588 /nfs/dbraw/zinc/22/15/88/179221588.db2.gz QPZBSKRXPICFHT-CQSZACIVSA-N 1 0 247.382 3.844 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cccc(F)c1F ZINC000355060909 387472611 /nfs/dbraw/zinc/47/26/11/387472611.db2.gz OLJMOOAIIXVOBX-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(F)cc1F)C1(C)CC1 ZINC000355075363 387475804 /nfs/dbraw/zinc/47/58/04/387475804.db2.gz BHVJPGKQCURJAO-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1F)C1(C)CC1 ZINC000355075364 387474516 /nfs/dbraw/zinc/47/45/16/387474516.db2.gz BHVJPGKQCURJAO-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000355077586 178085932 /nfs/dbraw/zinc/08/59/32/178085932.db2.gz GKCUZBBSOFLYCD-GFCCVEGCSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000355077600 178084875 /nfs/dbraw/zinc/08/48/75/178084875.db2.gz GKCUZBBSOFLYCD-LBPRGKRZSA-N 1 0 235.346 3.755 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000355077912 171014829 /nfs/dbraw/zinc/01/48/29/171014829.db2.gz HFVWLKOMFXCLEU-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000355077914 387473912 /nfs/dbraw/zinc/47/39/12/387473912.db2.gz HFVWLKOMFXCLEU-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc(F)ccc1F)C1(C)CC1 ZINC000355078600 387474923 /nfs/dbraw/zinc/47/49/23/387474923.db2.gz ILPQWTOYFGWFTF-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1F)C1(C)CC1 ZINC000355078976 387474473 /nfs/dbraw/zinc/47/44/73/387474473.db2.gz ILPQWTOYFGWFTF-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000355079023 175074669 /nfs/dbraw/zinc/07/46/69/175074669.db2.gz JCGMCAXMCJQNPS-CYBMUJFWSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000355079024 175074972 /nfs/dbraw/zinc/07/49/72/175074972.db2.gz JCGMCAXMCJQNPS-ZDUSSCGKSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1C ZINC000355079498 187211854 /nfs/dbraw/zinc/21/18/54/187211854.db2.gz KJGVZQWMCVTTGM-CYBMUJFWSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1C ZINC000355079499 175096515 /nfs/dbraw/zinc/09/65/15/175096515.db2.gz KJGVZQWMCVTTGM-ZDUSSCGKSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000355079725 171012533 /nfs/dbraw/zinc/01/25/33/171012533.db2.gz LNONDKINIJIBQT-LLVKDONJSA-N 1 0 247.313 3.804 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000355079726 387478097 /nfs/dbraw/zinc/47/80/97/387478097.db2.gz LNONDKINIJIBQT-NSHDSACASA-N 1 0 247.313 3.804 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000355080152 179068724 /nfs/dbraw/zinc/06/87/24/179068724.db2.gz LTFWKNQTRLICKV-CYBMUJFWSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000355080154 179068343 /nfs/dbraw/zinc/06/83/43/179068343.db2.gz LTFWKNQTRLICKV-ZDUSSCGKSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000355080274 171011443 /nfs/dbraw/zinc/01/14/43/171011443.db2.gz MXXDQKDHBHCKMG-GFCCVEGCSA-N 1 0 223.385 3.597 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000355080275 387476654 /nfs/dbraw/zinc/47/66/54/387476654.db2.gz MXXDQKDHBHCKMG-LBPRGKRZSA-N 1 0 223.385 3.597 20 0 BHADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccsc2)C1 ZINC000355080368 177314817 /nfs/dbraw/zinc/31/48/17/177314817.db2.gz FEHPXUCLQWMMNN-GRYCIOLGSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccsc2)C1 ZINC000355080370 176365706 /nfs/dbraw/zinc/36/57/06/176365706.db2.gz FEHPXUCLQWMMNN-IJLUTSLNSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccsc2)C1 ZINC000355080372 387478457 /nfs/dbraw/zinc/47/84/57/387478457.db2.gz FEHPXUCLQWMMNN-UTUOFQBUSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccsc2)C1 ZINC000355080373 177314330 /nfs/dbraw/zinc/31/43/30/177314330.db2.gz FEHPXUCLQWMMNN-WOPDTQHZSA-N 1 0 223.385 3.615 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000355080870 387478078 /nfs/dbraw/zinc/47/80/78/387478078.db2.gz NDZHARUARONRDV-CYBMUJFWSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000355080871 387478365 /nfs/dbraw/zinc/47/83/65/387478365.db2.gz NDZHARUARONRDV-ZDUSSCGKSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1F ZINC000355080880 387478277 /nfs/dbraw/zinc/47/82/77/387478277.db2.gz NHAKBWAEWBYWGG-GFCCVEGCSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1F ZINC000355080881 387477847 /nfs/dbraw/zinc/47/78/47/387477847.db2.gz NHAKBWAEWBYWGG-LBPRGKRZSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(C)s1 ZINC000355080903 387477244 /nfs/dbraw/zinc/47/72/44/387477244.db2.gz NOVYKHLHJIHNIQ-GFCCVEGCSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(C)s1 ZINC000355080904 387477405 /nfs/dbraw/zinc/47/74/05/387477405.db2.gz NOVYKHLHJIHNIQ-LBPRGKRZSA-N 1 0 237.412 3.985 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc2cc[nH]c21)C1(C)CC1 ZINC000355083774 387477634 /nfs/dbraw/zinc/47/76/34/387477634.db2.gz TZCVJPPOEJIHLD-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc2cc[nH]c21)C1(C)CC1 ZINC000355083775 387477077 /nfs/dbraw/zinc/47/70/77/387477077.db2.gz TZCVJPPOEJIHLD-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000355083952 387476959 /nfs/dbraw/zinc/47/69/59/387476959.db2.gz VCPBCCDZZZUQDH-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000355083955 387478021 /nfs/dbraw/zinc/47/80/21/387478021.db2.gz VCPBCCDZZZUQDH-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000355084834 387476466 /nfs/dbraw/zinc/47/64/66/387476466.db2.gz ITEGIQQQEIHCBT-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000355084836 387477154 /nfs/dbraw/zinc/47/71/54/387477154.db2.gz ITEGIQQQEIHCBT-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000355088948 179270121 /nfs/dbraw/zinc/27/01/21/179270121.db2.gz OZNCYRROELGITK-CYBMUJFWSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000355088949 179270062 /nfs/dbraw/zinc/27/00/62/179270062.db2.gz OZNCYRROELGITK-ZDUSSCGKSA-N 1 0 217.356 3.615 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000355088992 387478140 /nfs/dbraw/zinc/47/81/40/387478140.db2.gz PIANDWKJTKTSIB-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000355088993 387477539 /nfs/dbraw/zinc/47/75/39/387477539.db2.gz PIANDWKJTKTSIB-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000355090122 387477926 /nfs/dbraw/zinc/47/79/26/387477926.db2.gz RMYONFDJRNUAED-GFCCVEGCSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000355090123 387478193 /nfs/dbraw/zinc/47/81/93/387478193.db2.gz RMYONFDJRNUAED-LBPRGKRZSA-N 1 0 235.346 3.755 20 0 BHADRO C[C@H]([N@H+](C)Cc1c(F)cccc1F)C1(C)CC1 ZINC000355093474 387480267 /nfs/dbraw/zinc/48/02/67/387480267.db2.gz XJFGYCUYZAOYOQ-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1c(F)cccc1F)C1(C)CC1 ZINC000355093476 387479728 /nfs/dbraw/zinc/47/97/28/387479728.db2.gz XJFGYCUYZAOYOQ-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc(F)cc(F)c1)C1(C)CC1 ZINC000355093501 387479140 /nfs/dbraw/zinc/47/91/40/387479140.db2.gz XLCXNFNJFAQPKM-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc(F)cc(F)c1)C1(C)CC1 ZINC000355093502 387479570 /nfs/dbraw/zinc/47/95/70/387479570.db2.gz XLCXNFNJFAQPKM-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@@H](C)[C@H](C)C2)c1Cl ZINC000355095342 132270918 /nfs/dbraw/zinc/27/09/18/132270918.db2.gz NJEHXXCJKLCNRF-NXEZZACHSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@H](C)[C@@H](C)C2)c1Cl ZINC000355095346 132270776 /nfs/dbraw/zinc/27/07/76/132270776.db2.gz NJEHXXCJKLCNRF-UWVGGRQHSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@H](C)[C@H](C)C2)c1Cl ZINC000355095349 132270946 /nfs/dbraw/zinc/27/09/46/132270946.db2.gz NJEHXXCJKLCNRF-VHSXEESVSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@@H](C)[C@@H](C)C2)c1Cl ZINC000355095359 132270678 /nfs/dbraw/zinc/27/06/78/132270678.db2.gz NJEHXXCJKLCNRF-ZJUUUORDSA-N 1 0 238.762 3.526 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@@H](C)C1 ZINC000355103188 176177472 /nfs/dbraw/zinc/17/74/72/176177472.db2.gz DQOBTCFRQAKLHJ-NEPJUHHUSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccsc2)C[C@H](C)C1 ZINC000355103202 177166300 /nfs/dbraw/zinc/16/63/00/177166300.db2.gz DQOBTCFRQAKLHJ-NWDGAFQWSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H](C)C1 ZINC000355103209 177310596 /nfs/dbraw/zinc/31/05/96/177310596.db2.gz DQOBTCFRQAKLHJ-RYUDHWBXSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccsc2)C1 ZINC000355103210 176178243 /nfs/dbraw/zinc/17/82/43/176178243.db2.gz DQOBTCFRQAKLHJ-VXGBXAGGSA-N 1 0 223.385 3.616 20 0 BHADRO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c(C)c1Cl ZINC000355108231 171056271 /nfs/dbraw/zinc/05/62/71/171056271.db2.gz OWHQRULKWVITSQ-GXSJLCMTSA-N 1 0 238.762 3.811 20 0 BHADRO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c(C)c1Cl ZINC000355108241 411301558 /nfs/dbraw/zinc/30/15/58/411301558.db2.gz OWHQRULKWVITSQ-KOLCDFICSA-N 1 0 238.762 3.811 20 0 BHADRO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(C)c1Cl ZINC000355108244 171039212 /nfs/dbraw/zinc/03/92/12/171039212.db2.gz OWHQRULKWVITSQ-MWLCHTKSSA-N 1 0 238.762 3.811 20 0 BHADRO CC[C@H]1CC[C@H](C)N1c1cc[nH+]c(C)c1Cl ZINC000355108247 411301736 /nfs/dbraw/zinc/30/17/36/411301736.db2.gz OWHQRULKWVITSQ-ONGXEEELSA-N 1 0 238.762 3.811 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1F ZINC000355108713 411301611 /nfs/dbraw/zinc/30/16/11/411301611.db2.gz OTTARPBAYIJDAF-GFCCVEGCSA-N 1 0 235.346 3.755 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1F ZINC000355108715 411301574 /nfs/dbraw/zinc/30/15/74/411301574.db2.gz OTTARPBAYIJDAF-LBPRGKRZSA-N 1 0 235.346 3.755 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@@H]1C ZINC000355112192 176173970 /nfs/dbraw/zinc/17/39/70/176173970.db2.gz NJASYTQWAPAAKU-GHMZBOCLSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C ZINC000355112200 385909521 /nfs/dbraw/zinc/90/95/21/385909521.db2.gz NJASYTQWAPAAKU-MNOVXSKESA-N 1 0 247.313 3.802 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C ZINC000355112204 177163894 /nfs/dbraw/zinc/16/38/94/177163894.db2.gz NJASYTQWAPAAKU-QWRGUYRKSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000355112212 177162980 /nfs/dbraw/zinc/16/29/80/177162980.db2.gz NJASYTQWAPAAKU-WDEREUQCSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2coc3ccccc23)[C@H]1C ZINC000355116047 398331518 /nfs/dbraw/zinc/33/15/18/398331518.db2.gz RZKPXFKHAHQYJS-NEPJUHHUSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1coc2ccccc12 ZINC000355116048 177166606 /nfs/dbraw/zinc/16/66/06/177166606.db2.gz RZKPXFKHAHQYJS-NWDGAFQWSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H]1CC[N@H+](Cc2coc3ccccc23)[C@H]1C ZINC000355116049 177167166 /nfs/dbraw/zinc/16/71/66/177167166.db2.gz RZKPXFKHAHQYJS-RYUDHWBXSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2coc3ccccc23)[C@@H]1C ZINC000355116055 176177767 /nfs/dbraw/zinc/17/77/67/176177767.db2.gz RZKPXFKHAHQYJS-VXGBXAGGSA-N 1 0 229.323 3.663 20 0 BHADRO CC1(CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000355120141 168019904 /nfs/dbraw/zinc/01/99/04/168019904.db2.gz GAWGHJHKFLTBHG-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CC1(CC[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000355120270 168020174 /nfs/dbraw/zinc/02/01/74/168020174.db2.gz GLCLACIAMZNRMD-UHFFFAOYSA-N 1 0 247.313 3.852 20 0 BHADRO CC1(CC[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000355120973 168019954 /nfs/dbraw/zinc/01/99/54/168019954.db2.gz KJOUULMZLGRINN-IHWYPQMZSA-N 1 0 233.330 3.619 20 0 BHADRO CC1(CC[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000355120974 168020481 /nfs/dbraw/zinc/02/04/81/168020481.db2.gz KJOUULMZLGRINN-NSCUHMNNSA-N 1 0 233.330 3.619 20 0 BHADRO CC1(CC[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000355121149 168020955 /nfs/dbraw/zinc/02/09/55/168020955.db2.gz HDUYCAHEXUESDA-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC1(CC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000355122484 168020967 /nfs/dbraw/zinc/02/09/67/168020967.db2.gz JQIVVOWQTQGNHQ-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO COC1CCC(C)(C[NH2+]CCC(C)(C)C)CC1 ZINC000355124664 174020063 /nfs/dbraw/zinc/02/00/63/174020063.db2.gz OXDGMTPUGNUAOV-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)C[NH2+]CC1(C)CCC(OC)CC1 ZINC000355124971 387483300 /nfs/dbraw/zinc/48/33/00/387483300.db2.gz PJRSYQDFKMCPKG-NFOMZHRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC1(C)CCC(OC)CC1 ZINC000355124973 169359026 /nfs/dbraw/zinc/35/90/26/169359026.db2.gz PJRSYQDFKMCPKG-WLYUNCDWSA-N 1 0 241.419 3.608 20 0 BHADRO C[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CC1(C)C ZINC000355125315 387482138 /nfs/dbraw/zinc/48/21/38/387482138.db2.gz PZKFPBGQZXBPNM-GFCCVEGCSA-N 1 0 239.309 3.855 20 0 BHADRO C[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CC1(C)C ZINC000355125328 387483028 /nfs/dbraw/zinc/48/30/28/387483028.db2.gz PZKFPBGQZXBPNM-LBPRGKRZSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)C1CCC(F)(F)CC1 ZINC000355126325 387482198 /nfs/dbraw/zinc/48/21/98/387482198.db2.gz FCKVRNPHEMQVLQ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)C1CCC(F)(F)CC1 ZINC000355126343 398331524 /nfs/dbraw/zinc/33/15/24/398331524.db2.gz FCKVRNPHEMQVLQ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+]CCC1(C)CC1)Cc1ccccc1 ZINC000355126410 387482672 /nfs/dbraw/zinc/48/26/72/387482672.db2.gz FKCOXXWRWWDRMM-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@@H](C[NH2+]CCC1(C)CC1)Cc1ccccc1 ZINC000355126411 387483706 /nfs/dbraw/zinc/48/37/06/387483706.db2.gz FKCOXXWRWWDRMM-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO CC1(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000355129828 168020839 /nfs/dbraw/zinc/02/08/39/168020839.db2.gz XEWQAUSSVQAJPS-CABCVRRESA-N 1 0 229.367 3.570 20 0 BHADRO CC1(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000355129829 168020842 /nfs/dbraw/zinc/02/08/42/168020842.db2.gz XEWQAUSSVQAJPS-GJZGRUSLSA-N 1 0 229.367 3.570 20 0 BHADRO CC1(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355129830 168020722 /nfs/dbraw/zinc/02/07/22/168020722.db2.gz XEWQAUSSVQAJPS-HUUCEWRRSA-N 1 0 229.367 3.570 20 0 BHADRO CC1(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355129831 168020665 /nfs/dbraw/zinc/02/06/65/168020665.db2.gz XEWQAUSSVQAJPS-LSDHHAIUSA-N 1 0 229.367 3.570 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]CCC1(C)CC1 ZINC000355130606 176724237 /nfs/dbraw/zinc/72/42/37/176724237.db2.gz JWPIDLPYPGQSEG-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]CCC1(C)CC1 ZINC000355130608 387485535 /nfs/dbraw/zinc/48/55/35/387485535.db2.gz JWPIDLPYPGQSEG-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CCC(CC)C[NH2+]CC1(C)CCC(OC)CC1 ZINC000355131465 168360815 /nfs/dbraw/zinc/36/08/15/168360815.db2.gz ZAQORJZHJHEDFC-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000355132253 387485297 /nfs/dbraw/zinc/48/52/97/387485297.db2.gz JNTGFWBCUTUFCW-NEPJUHHUSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000355132254 387484548 /nfs/dbraw/zinc/48/45/48/387484548.db2.gz JNTGFWBCUTUFCW-NWDGAFQWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000355132255 387484674 /nfs/dbraw/zinc/48/46/74/387484674.db2.gz JNTGFWBCUTUFCW-RYUDHWBXSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000355132256 385927204 /nfs/dbraw/zinc/92/72/04/385927204.db2.gz JNTGFWBCUTUFCW-VXGBXAGGSA-N 1 0 235.396 3.639 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CCC1(C)CC1 ZINC000355132563 167309524 /nfs/dbraw/zinc/30/95/24/167309524.db2.gz MORRRABRPKMSDD-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC1(CC[NH2+]CCCCOc2ccccc2)CC1 ZINC000355132792 168020034 /nfs/dbraw/zinc/02/00/34/168020034.db2.gz MWZARCTUCHBRIV-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)C2(C)CCCC2)cn1 ZINC000355132978 387484900 /nfs/dbraw/zinc/48/49/00/387484900.db2.gz ATNKENRLKWKFCT-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)c(C)s1 ZINC000355136587 178000814 /nfs/dbraw/zinc/00/08/14/178000814.db2.gz PKHNBMXRQHKWIP-GXSJLCMTSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(C)s1 ZINC000355136591 387484314 /nfs/dbraw/zinc/48/43/14/387484314.db2.gz PKHNBMXRQHKWIP-KOLCDFICSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c(C)s1 ZINC000355136594 178001166 /nfs/dbraw/zinc/00/11/66/178001166.db2.gz PKHNBMXRQHKWIP-MWLCHTKSSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c(C)s1 ZINC000355136597 178001484 /nfs/dbraw/zinc/00/14/84/178001484.db2.gz PKHNBMXRQHKWIP-ONGXEEELSA-N 1 0 223.385 3.595 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)o1 ZINC000355137065 387485569 /nfs/dbraw/zinc/48/55/69/387485569.db2.gz QMQHHVDFAUVDRT-BYNQJWBRSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)o1 ZINC000355137069 387484597 /nfs/dbraw/zinc/48/45/97/387484597.db2.gz QMQHHVDFAUVDRT-NMKXLXIOSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)o1 ZINC000355137070 177163470 /nfs/dbraw/zinc/16/34/70/177163470.db2.gz QMQHHVDFAUVDRT-OPDFLTKYSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)o1 ZINC000355137072 177164205 /nfs/dbraw/zinc/16/42/05/177164205.db2.gz QMQHHVDFAUVDRT-SFTQSGBHSA-N 1 0 233.355 3.633 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CCC2(C)CC2)cc1 ZINC000355137336 167295096 /nfs/dbraw/zinc/29/50/96/167295096.db2.gz QQUBOVKXRSKOQN-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC2(C)CC2)o1 ZINC000355140204 177351725 /nfs/dbraw/zinc/35/17/25/177351725.db2.gz UNCJEWAROQCAOR-AAEUAGOBSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC2(C)CC2)o1 ZINC000355140211 411312663 /nfs/dbraw/zinc/31/26/63/411312663.db2.gz UNCJEWAROQCAOR-DGCLKSJQSA-N 1 0 233.355 3.683 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC2(C)CC2)o1 ZINC000355140213 411313074 /nfs/dbraw/zinc/31/30/74/411313074.db2.gz UNCJEWAROQCAOR-WCQYABFASA-N 1 0 233.355 3.683 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC2(C)CC2)o1 ZINC000355140215 411313025 /nfs/dbraw/zinc/31/30/25/411313025.db2.gz UNCJEWAROQCAOR-YPMHNXCESA-N 1 0 233.355 3.683 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CCC2(C)CC2)c1 ZINC000355148162 167307112 /nfs/dbraw/zinc/30/71/12/167307112.db2.gz IATGRHREEDNVPY-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)C1C(C)(C)C1(C)C ZINC000355155573 387490416 /nfs/dbraw/zinc/49/04/16/387490416.db2.gz QGIGTQMUJYVLTB-SECBINFHSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)C1C(C)(C)C1(C)C ZINC000355155574 387489347 /nfs/dbraw/zinc/48/93/47/387489347.db2.gz QGIGTQMUJYVLTB-VIFPVBQESA-N 1 0 245.357 3.692 20 0 BHADRO CC1(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000355156055 168019992 /nfs/dbraw/zinc/01/99/92/168019992.db2.gz MTAQLMBJIJJWHW-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CC1(C)CCC(C[NH2+]CC2(C(F)F)CC2)CC1 ZINC000355157175 387490288 /nfs/dbraw/zinc/49/02/88/387490288.db2.gz RXHBJVJPASSCDY-UHFFFAOYSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCC1(C)CC1 ZINC000355162477 387489784 /nfs/dbraw/zinc/48/97/84/387489784.db2.gz WUYVJBVZRUSAER-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1(C)CC1 ZINC000355162478 387489407 /nfs/dbraw/zinc/48/94/07/387489407.db2.gz WUYVJBVZRUSAER-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000355164953 166899041 /nfs/dbraw/zinc/89/90/41/166899041.db2.gz LJNLEPZNULLXFX-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000355164964 356751660 /nfs/dbraw/zinc/75/16/60/356751660.db2.gz LJNLEPZNULLXFX-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000355165824 398108394 /nfs/dbraw/zinc/10/83/94/398108394.db2.gz LTLJCYOQOHJQOC-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000355165826 398108583 /nfs/dbraw/zinc/10/85/83/398108583.db2.gz LTLJCYOQOHJQOC-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO CC1(CC[NH2+]Cc2coc3ccccc23)CC1 ZINC000355171258 168020193 /nfs/dbraw/zinc/02/01/93/168020193.db2.gz WSABPHZVONBUSM-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC1(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000355175263 168020317 /nfs/dbraw/zinc/02/03/17/168020317.db2.gz LXFJSRBJCRWHNM-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000355179231 387494278 /nfs/dbraw/zinc/49/42/78/387494278.db2.gz VRRCBGSKVIHSGC-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000355179232 356751897 /nfs/dbraw/zinc/75/18/97/356751897.db2.gz VRRCBGSKVIHSGC-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000355190654 387494517 /nfs/dbraw/zinc/49/45/17/387494517.db2.gz AFBZSHAVWOSIKR-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO Cc1ncccc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000355197773 180219537 /nfs/dbraw/zinc/21/95/37/180219537.db2.gz MNCNDKYRHPUFMS-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO C[N@H+](CCC1CC1)Cc1coc2ccccc12 ZINC000355203921 398332083 /nfs/dbraw/zinc/33/20/83/398332083.db2.gz FYUGGIGLCZDGRT-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000355206379 387497660 /nfs/dbraw/zinc/49/76/60/387497660.db2.gz ALQGOQJGSGNHIX-HNNXBMFYSA-N 1 0 232.371 3.626 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000355206382 387498286 /nfs/dbraw/zinc/49/82/86/387498286.db2.gz ALQGOQJGSGNHIX-OAHLLOKOSA-N 1 0 232.371 3.626 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000355206555 387497386 /nfs/dbraw/zinc/49/73/86/387497386.db2.gz BOPFCGXSHGIXKD-HNNXBMFYSA-N 1 0 232.371 3.626 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000355206556 387497442 /nfs/dbraw/zinc/49/74/42/387497442.db2.gz BOPFCGXSHGIXKD-OAHLLOKOSA-N 1 0 232.371 3.626 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000355206908 387498140 /nfs/dbraw/zinc/49/81/40/387498140.db2.gz CMSZXBANJHTQPM-AWEZNQCLSA-N 1 0 249.402 3.571 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000355206909 387496205 /nfs/dbraw/zinc/49/62/05/387496205.db2.gz CMSZXBANJHTQPM-CQSZACIVSA-N 1 0 249.402 3.571 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccn(C)c1 ZINC000355206958 387497982 /nfs/dbraw/zinc/49/79/82/387497982.db2.gz DCDRISSUNSRWLH-HNNXBMFYSA-N 1 0 234.387 3.570 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccn(C)c1 ZINC000355206959 168740594 /nfs/dbraw/zinc/74/05/94/168740594.db2.gz DCDRISSUNSRWLH-OAHLLOKOSA-N 1 0 234.387 3.570 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCC2CC2)o1 ZINC000355207015 387496992 /nfs/dbraw/zinc/49/69/92/387496992.db2.gz DRADRJSHEAIYSS-BXUZGUMPSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC2CC2)o1 ZINC000355207022 177352095 /nfs/dbraw/zinc/35/20/95/177352095.db2.gz DRADRJSHEAIYSS-FZMZJTMJSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC2CC2)o1 ZINC000355207024 387497064 /nfs/dbraw/zinc/49/70/64/387497064.db2.gz DRADRJSHEAIYSS-RISCZKNCSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCC2CC2)o1 ZINC000355207027 387497556 /nfs/dbraw/zinc/49/75/56/387497556.db2.gz DRADRJSHEAIYSS-SMDDNHRTSA-N 1 0 233.355 3.635 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)s1 ZINC000355207754 387496759 /nfs/dbraw/zinc/49/67/59/387496759.db2.gz YFRLORRAIUYMIQ-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+](C)CCC1CC1 ZINC000355209790 385975375 /nfs/dbraw/zinc/97/53/75/385975375.db2.gz KIJKEFNRHJCFGX-UHFFFAOYSA-N 1 0 243.350 3.973 20 0 BHADRO CSc1ccc(C[N@H+](C)CCC2CC2)cc1 ZINC000355210799 188236497 /nfs/dbraw/zinc/23/64/97/188236497.db2.gz LYFGFTRAPVJIQG-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc2cc(F)ccc2o1 ZINC000355210976 387498093 /nfs/dbraw/zinc/49/80/93/387498093.db2.gz SVWFECVJVHOOEZ-UHFFFAOYSA-N 1 0 247.313 3.804 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1cccc(C)n1 ZINC000355211496 538789429 /nfs/dbraw/zinc/78/94/29/538789429.db2.gz CLPCOVNMQFWCTH-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc2ccccc2o1 ZINC000355211952 387497453 /nfs/dbraw/zinc/49/74/53/387497453.db2.gz URAAOOLAHGUWGX-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CCCC3(CCC3)C2)CC1 ZINC000355213058 188063932 /nfs/dbraw/zinc/06/39/32/188063932.db2.gz KUNTTYWDWKXYCJ-AWEZNQCLSA-N 1 0 219.372 3.609 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CCCC3(CCC3)C2)CC1 ZINC000355213061 387497376 /nfs/dbraw/zinc/49/73/76/387497376.db2.gz KUNTTYWDWKXYCJ-CQSZACIVSA-N 1 0 219.372 3.609 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000355214137 387496727 /nfs/dbraw/zinc/49/67/27/387496727.db2.gz XFQQPIHSIQETOE-CVEARBPZSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]2c2ccccc2)o1 ZINC000355214140 178555118 /nfs/dbraw/zinc/55/51/18/178555118.db2.gz XFQQPIHSIQETOE-HOTGVXAUSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000355214143 387498517 /nfs/dbraw/zinc/49/85/17/387498517.db2.gz XFQQPIHSIQETOE-HZPDHXFCSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000355214146 387497634 /nfs/dbraw/zinc/49/76/34/387497634.db2.gz XFQQPIHSIQETOE-JKSUJKDBSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000355217525 387498257 /nfs/dbraw/zinc/49/82/57/387498257.db2.gz XFRTVLLUKZOMQT-CABCVRRESA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000355217526 387498161 /nfs/dbraw/zinc/49/81/61/387498161.db2.gz XFRTVLLUKZOMQT-GJZGRUSLSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355217527 387498071 /nfs/dbraw/zinc/49/80/71/387498071.db2.gz XFRTVLLUKZOMQT-HUUCEWRRSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000355218491 387497718 /nfs/dbraw/zinc/49/77/18/387497718.db2.gz XFRTVLLUKZOMQT-LSDHHAIUSA-N 1 0 241.334 3.576 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000355218750 387499196 /nfs/dbraw/zinc/49/91/96/387499196.db2.gz YNDGFZZPHSPJAK-HNNXBMFYSA-N 1 0 232.371 3.626 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000355218755 168740050 /nfs/dbraw/zinc/74/00/50/168740050.db2.gz YNDGFZZPHSPJAK-OAHLLOKOSA-N 1 0 232.371 3.626 20 0 BHADRO Clc1ccc(C[N@@H+]2CCCC3(CCC3)C2)o1 ZINC000355219004 387499211 /nfs/dbraw/zinc/49/92/11/387499211.db2.gz LNXNWBZYBGEMFM-UHFFFAOYSA-N 1 0 239.746 3.699 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000355220315 387499608 /nfs/dbraw/zinc/49/96/08/387499608.db2.gz KTGBJTMLWNRCPM-DLBZAZTESA-N 1 0 237.346 3.675 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355220330 387499753 /nfs/dbraw/zinc/49/97/53/387499753.db2.gz KTGBJTMLWNRCPM-IAGOWNOFSA-N 1 0 237.346 3.675 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@H]1C[C@H]1c1ccccc1 ZINC000355220332 387500213 /nfs/dbraw/zinc/50/02/13/387500213.db2.gz KTGBJTMLWNRCPM-IRXDYDNUSA-N 1 0 237.346 3.675 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000355220333 387500102 /nfs/dbraw/zinc/50/01/02/387500102.db2.gz KTGBJTMLWNRCPM-SJORKVTESA-N 1 0 237.346 3.675 20 0 BHADRO Cc1cc(C[N@H+](C)CCC2CC2)c(C)s1 ZINC000355221534 387499621 /nfs/dbraw/zinc/49/96/21/387499621.db2.gz MSOODIVKYLFZFE-UHFFFAOYSA-N 1 0 223.385 3.597 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC3(CCC3)C2)o1 ZINC000355224148 387499991 /nfs/dbraw/zinc/49/99/91/387499991.db2.gz QJPMNAQEQBHKJX-UHFFFAOYSA-N 1 0 233.355 3.608 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCC3)C2)cs1 ZINC000355225345 183340304 /nfs/dbraw/zinc/34/03/04/183340304.db2.gz RZQQHJARAYWMRE-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000355227981 387500517 /nfs/dbraw/zinc/50/05/17/387500517.db2.gz VVILCCYUIVMWQN-GFCCVEGCSA-N 1 0 238.400 3.688 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000355227982 387500321 /nfs/dbraw/zinc/50/03/21/387500321.db2.gz VVILCCYUIVMWQN-LBPRGKRZSA-N 1 0 238.400 3.688 20 0 BHADRO CC(C)CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000355250730 387506277 /nfs/dbraw/zinc/50/62/77/387506277.db2.gz GBOXMYSRSBNWKW-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO Fc1ccccc1C[N@H+](CC1CC1)C1CCC1 ZINC000355253445 181011743 /nfs/dbraw/zinc/01/17/43/181011743.db2.gz LAKLNDQXJCVESQ-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO CC(C)CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000355254291 387505024 /nfs/dbraw/zinc/50/50/24/387505024.db2.gz MWWQJIGXLGSGFX-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000355255024 387505757 /nfs/dbraw/zinc/50/57/57/387505757.db2.gz OCIPUELRUFSMBW-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)CCCCOC(C)(C)C ZINC000355278302 387511395 /nfs/dbraw/zinc/51/13/95/387511395.db2.gz KSAQOCSRSOVGOP-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)CCCCOC(C)(C)C ZINC000355278303 387512040 /nfs/dbraw/zinc/51/20/40/387512040.db2.gz KSAQOCSRSOVGOP-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1scnc1C1CC1 ZINC000355288219 538793559 /nfs/dbraw/zinc/79/35/59/538793559.db2.gz XFFIIPYFKOWZSZ-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCCc1csc(C[N@H+](C)C(C)(C)CC)n1 ZINC000355291804 188237062 /nfs/dbraw/zinc/23/70/62/188237062.db2.gz NWFKZJUUDBBCLU-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CC(C)[NH+](CCCCOC(C)(C)C)C(C)C ZINC000355294979 187375236 /nfs/dbraw/zinc/37/52/36/187375236.db2.gz QJTCSSBNMCISJB-UHFFFAOYSA-N 1 0 229.408 3.701 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000355336495 384592014 /nfs/dbraw/zinc/59/20/14/384592014.db2.gz VMRJXVBXIDSKLF-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000355350162 384594540 /nfs/dbraw/zinc/59/45/40/384594540.db2.gz OERSOVPWTSLLDT-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000355350163 171538468 /nfs/dbraw/zinc/53/84/68/171538468.db2.gz OERSOVPWTSLLDT-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000355350166 384594169 /nfs/dbraw/zinc/59/41/69/384594169.db2.gz OERSOVPWTSLLDT-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000355350169 384593947 /nfs/dbraw/zinc/59/39/47/384593947.db2.gz OERSOVPWTSLLDT-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@](C)(F)C1 ZINC000355358415 387526230 /nfs/dbraw/zinc/52/62/30/387526230.db2.gz XUJQWULSDSFIBQ-HNNXBMFYSA-N 1 0 247.313 3.675 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000355358416 387524836 /nfs/dbraw/zinc/52/48/36/387524836.db2.gz XUJQWULSDSFIBQ-OAHLLOKOSA-N 1 0 247.313 3.675 20 0 BHADRO CSCC[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000355376085 387528049 /nfs/dbraw/zinc/52/80/49/387528049.db2.gz GXEZOSHNASHILS-UHFFFAOYSA-N 1 0 249.423 3.531 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1ccccn1 ZINC000355409894 168150412 /nfs/dbraw/zinc/15/04/12/168150412.db2.gz GBFPAJGXUATPKM-BBBYJDLNSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1ccccn1 ZINC000355409895 168150267 /nfs/dbraw/zinc/15/02/67/168150267.db2.gz GBFPAJGXUATPKM-NPCAHTBFSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1ncccc1C[NH2+]CC1(C)CCC(C)CC1 ZINC000355415477 180220357 /nfs/dbraw/zinc/22/03/57/180220357.db2.gz PYEBSTURYZQPOS-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCC(C)CC2)nc1 ZINC000355418274 187723437 /nfs/dbraw/zinc/72/34/37/187723437.db2.gz LGXRPPLIEMJGLA-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CC1(C)CCC(C)CC1 ZINC000355418559 179487095 /nfs/dbraw/zinc/48/70/95/179487095.db2.gz JWVFUGCCQZZOJB-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CCC(C)CC2)cn1 ZINC000355422344 538793537 /nfs/dbraw/zinc/79/35/37/538793537.db2.gz QBQQONKNLWXDRJ-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355476513 387542028 /nfs/dbraw/zinc/54/20/28/387542028.db2.gz UFBHJGJRYLEACI-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355476514 350328344 /nfs/dbraw/zinc/32/83/44/350328344.db2.gz UFBHJGJRYLEACI-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO CC1CC([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000355478940 168147824 /nfs/dbraw/zinc/14/78/24/168147824.db2.gz YGGZQTNRCWHDBU-JHANDDDOSA-N 1 0 233.330 3.591 20 0 BHADRO CC1CC([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000355478941 168148300 /nfs/dbraw/zinc/14/83/00/168148300.db2.gz YGGZQTNRCWHDBU-KHXKVGHRSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC000355478961 387541523 /nfs/dbraw/zinc/54/15/23/387541523.db2.gz YKXFQLGQNDIPOB-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC000355478962 387541801 /nfs/dbraw/zinc/54/18/01/387541801.db2.gz YKXFQLGQNDIPOB-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC000355478964 176897581 /nfs/dbraw/zinc/89/75/81/176897581.db2.gz YKXFQLGQNDIPOB-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC000355478965 176923132 /nfs/dbraw/zinc/92/31/32/176923132.db2.gz YKXFQLGQNDIPOB-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CCC2 ZINC000355488234 387541353 /nfs/dbraw/zinc/54/13/53/387541353.db2.gz USDAWLOBIMGXPQ-HNNXBMFYSA-N 1 0 233.330 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CCC2 ZINC000355488235 387541000 /nfs/dbraw/zinc/54/10/00/387541000.db2.gz USDAWLOBIMGXPQ-OAHLLOKOSA-N 1 0 233.330 3.735 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355488972 176613656 /nfs/dbraw/zinc/61/36/56/176613656.db2.gz WFAAWMAJHSTPLB-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355488973 387542057 /nfs/dbraw/zinc/54/20/57/387542057.db2.gz WFAAWMAJHSTPLB-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355488974 387541861 /nfs/dbraw/zinc/54/18/61/387541861.db2.gz WFAAWMAJHSTPLB-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355488975 387541842 /nfs/dbraw/zinc/54/18/42/387541842.db2.gz WFAAWMAJHSTPLB-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355492356 167386070 /nfs/dbraw/zinc/38/60/70/167386070.db2.gz GXCWTLJRFKDFJX-ABAIWWIYSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355492357 167384106 /nfs/dbraw/zinc/38/41/06/167384106.db2.gz GXCWTLJRFKDFJX-IAQYHMDHSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355492358 188064020 /nfs/dbraw/zinc/06/40/20/188064020.db2.gz GXCWTLJRFKDFJX-NHYWBVRUSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355492359 187375310 /nfs/dbraw/zinc/37/53/10/187375310.db2.gz GXCWTLJRFKDFJX-XHDPSFHLSA-N 1 0 235.346 3.837 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cccc2[nH]ccc21 ZINC000355499322 387542829 /nfs/dbraw/zinc/54/28/29/387542829.db2.gz BQTGXBKPJOCJHV-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(C)s1 ZINC000355503244 387544259 /nfs/dbraw/zinc/54/42/59/387544259.db2.gz FGKMUKRVOHXCKL-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cccc2cc[nH]c21 ZINC000355512179 387545761 /nfs/dbraw/zinc/54/57/61/387545761.db2.gz NXTUGVHWUUDUEA-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(Cl)o1 ZINC000355513015 387545959 /nfs/dbraw/zinc/54/59/59/387545959.db2.gz MQYTXWPWILVSGX-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccsc2)CC1(C)C ZINC000355513052 176177785 /nfs/dbraw/zinc/17/77/85/176177785.db2.gz MYNMXFYFKBTWQM-LLVKDONJSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccsc2)CC1(C)C ZINC000355513054 177167342 /nfs/dbraw/zinc/16/73/42/177167342.db2.gz MYNMXFYFKBTWQM-NSHDSACASA-N 1 0 223.385 3.616 20 0 BHADRO CCC(CC)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000355521349 168360691 /nfs/dbraw/zinc/36/06/91/168360691.db2.gz YWFUNTFKOKPBNY-UHFFFAOYSA-N 1 0 234.387 3.651 20 0 BHADRO CC[N@@H+](Cc1cc(F)ccc1F)CC1CCC1 ZINC000355575664 356764598 /nfs/dbraw/zinc/76/45/98/356764598.db2.gz AROIZRJLKGFNHU-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000355580638 387554476 /nfs/dbraw/zinc/55/44/76/387554476.db2.gz HEULANQQEHPJFW-DZGCQCFKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000355580642 387553995 /nfs/dbraw/zinc/55/39/95/387553995.db2.gz HEULANQQEHPJFW-HIFRSBDPSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000355580645 387554221 /nfs/dbraw/zinc/55/42/21/387554221.db2.gz HEULANQQEHPJFW-UKRRQHHQSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000355580649 387553972 /nfs/dbraw/zinc/55/39/72/387553972.db2.gz HEULANQQEHPJFW-ZFWWWQNUSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@@H+](Cc1ccc(C)s1)CC1CCC1 ZINC000355581699 356765569 /nfs/dbraw/zinc/76/55/69/356765569.db2.gz JYCRCYMYZDZFBC-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO C[N@H+](C/C=C\c1ccncc1)[C@@H]1CCC(C)(C)C1 ZINC000355583853 387554907 /nfs/dbraw/zinc/55/49/07/387554907.db2.gz NNKCLYQLXQIWJG-FOSCPCJNSA-N 1 0 244.382 3.605 20 0 BHADRO C[N@H+](C/C=C/c1ccncc1)[C@@H]1CCC(C)(C)C1 ZINC000355583871 387554581 /nfs/dbraw/zinc/55/45/81/387554581.db2.gz NNKCLYQLXQIWJG-MBVDDHJVSA-N 1 0 244.382 3.605 20 0 BHADRO C[N@H+](C/C=C/c1ccncc1)[C@H]1CCC(C)(C)C1 ZINC000355583873 387555003 /nfs/dbraw/zinc/55/50/03/387555003.db2.gz NNKCLYQLXQIWJG-RGDDUWESSA-N 1 0 244.382 3.605 20 0 BHADRO C[N@H+](C/C=C\c1ccncc1)[C@H]1CCC(C)(C)C1 ZINC000355583875 387555060 /nfs/dbraw/zinc/55/50/60/387555060.db2.gz NNKCLYQLXQIWJG-XVWMLYKFSA-N 1 0 244.382 3.605 20 0 BHADRO CC[N@@H+](Cc1sccc1C)CC1CCC1 ZINC000355584966 356765646 /nfs/dbraw/zinc/76/56/46/356765646.db2.gz QSRHGEQBIRARDU-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CC1(C[NH2+]CCCc2ccccc2F)CCC1 ZINC000355585601 538796296 /nfs/dbraw/zinc/79/62/96/538796296.db2.gz QZHKSLYGHAFHRT-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000355590298 387554829 /nfs/dbraw/zinc/55/48/29/387554829.db2.gz ZTONCIHPTCTBNC-GFCCVEGCSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000355590299 387554669 /nfs/dbraw/zinc/55/46/69/387554669.db2.gz ZTONCIHPTCTBNC-LBPRGKRZSA-N 1 0 221.344 3.599 20 0 BHADRO CC[N@@H+](Cc1cccc(F)c1F)CC1CCC1 ZINC000355599695 411303545 /nfs/dbraw/zinc/30/35/45/411303545.db2.gz DCRYJHSSMBBNBM-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@H+](CC1CCC1)[C@H](C)Cc1ccsc1 ZINC000355600403 411303422 /nfs/dbraw/zinc/30/34/22/411303422.db2.gz FRYLUNMQEPIGQO-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO CC[N@H+](CC1CCC1)[C@@H](C)Cc1ccsc1 ZINC000355600407 411303412 /nfs/dbraw/zinc/30/34/12/411303412.db2.gz FRYLUNMQEPIGQO-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000355600871 397915122 /nfs/dbraw/zinc/91/51/22/397915122.db2.gz FZOMXGSNVFCKRK-DZGCQCFKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000355600872 397915277 /nfs/dbraw/zinc/91/52/77/397915277.db2.gz FZOMXGSNVFCKRK-HIFRSBDPSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000355600873 397915267 /nfs/dbraw/zinc/91/52/67/397915267.db2.gz FZOMXGSNVFCKRK-UKRRQHHQSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000355600874 397915150 /nfs/dbraw/zinc/91/51/50/397915150.db2.gz FZOMXGSNVFCKRK-ZFWWWQNUSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@@H+](Cc1cccc2[nH]ccc21)CC1CCC1 ZINC000355604607 397915299 /nfs/dbraw/zinc/91/52/99/397915299.db2.gz HSSVFWFNZQUIMG-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@@H+](Cc1ccc(F)c(F)c1)CC1CCC1 ZINC000355604773 397915289 /nfs/dbraw/zinc/91/52/89/397915289.db2.gz HYOGJKSREJIWKI-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@@H+](Cc1ccc(F)cc1F)CC1CCC1 ZINC000355608487 387557418 /nfs/dbraw/zinc/55/74/18/387557418.db2.gz PAQJHVRUKJZZQI-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@@H+](Cc1cc(F)cc(F)c1)CC1CCC1 ZINC000355611117 356766682 /nfs/dbraw/zinc/76/66/82/356766682.db2.gz VDAPWGLYMPXRFQ-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@@H+](Cc1c(F)cccc1F)CC1CCC1 ZINC000355612856 356766886 /nfs/dbraw/zinc/76/68/86/356766886.db2.gz UTFBLDZESIJZSQ-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)o1)CC1CCC1 ZINC000355613749 356766671 /nfs/dbraw/zinc/76/66/71/356766671.db2.gz YKJXDVAYJPXIJP-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO CC[N@@H+](Cc1cccc2cc[nH]c21)CC1CCC1 ZINC000355613863 356766592 /nfs/dbraw/zinc/76/65/92/356766592.db2.gz YUSWGJIOKCTLBL-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cn1 ZINC000355653028 387561310 /nfs/dbraw/zinc/56/13/10/387561310.db2.gz FBJYRNWTACJXNC-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000355653089 178567414 /nfs/dbraw/zinc/56/74/14/178567414.db2.gz FBJYRNWTACJXNC-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000355657382 178027834 /nfs/dbraw/zinc/02/78/34/178027834.db2.gz ABPJPXFLMXWCGU-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000355658411 387563102 /nfs/dbraw/zinc/56/31/02/387563102.db2.gz XDJWXMYWPNOAES-GFCCVEGCSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000355658414 387563306 /nfs/dbraw/zinc/56/33/06/387563306.db2.gz XDJWXMYWPNOAES-LBPRGKRZSA-N 1 0 221.344 3.538 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000355661089 387563780 /nfs/dbraw/zinc/56/37/80/387563780.db2.gz RHFQENUEUQHTPY-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000355661090 387563251 /nfs/dbraw/zinc/56/32/51/387563251.db2.gz RHFQENUEUQHTPY-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)nc1 ZINC000355662634 386620602 /nfs/dbraw/zinc/62/06/02/386620602.db2.gz SNONEZZZPANYEE-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)nc1 ZINC000355662655 386620494 /nfs/dbraw/zinc/62/04/94/386620494.db2.gz SNONEZZZPANYEE-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000355667980 387564120 /nfs/dbraw/zinc/56/41/20/387564120.db2.gz LTKHMBACCXJRTB-HNNXBMFYSA-N 1 0 215.340 3.548 20 0 BHADRO CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000355667990 387564651 /nfs/dbraw/zinc/56/46/51/387564651.db2.gz LTKHMBACCXJRTB-OAHLLOKOSA-N 1 0 215.340 3.548 20 0 BHADRO Cc1[nH+]ccc(N2CCCC[C@H](C)C2)c1Cl ZINC000355673394 387563757 /nfs/dbraw/zinc/56/37/57/387563757.db2.gz OWHHYKYQPRJQBU-JTQLQIEISA-N 1 0 238.762 3.670 20 0 BHADRO Cc1[nH+]ccc(N2CCCC[C@@H](C)C2)c1Cl ZINC000355673400 187212391 /nfs/dbraw/zinc/21/23/91/187212391.db2.gz OWHHYKYQPRJQBU-SNVBAGLBSA-N 1 0 238.762 3.670 20 0 BHADRO Cc1ccc(C[N@H+](CC2CC2)C2CCC2)s1 ZINC000355675826 387566084 /nfs/dbraw/zinc/56/60/84/387566084.db2.gz FORBEQAWNVEEJS-UHFFFAOYSA-N 1 0 235.396 3.821 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000355678706 187723520 /nfs/dbraw/zinc/72/35/20/187723520.db2.gz HJMHAWVKENNLER-CYBMUJFWSA-N 1 0 241.419 3.701 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000355678707 387566463 /nfs/dbraw/zinc/56/64/63/387566463.db2.gz HJMHAWVKENNLER-ZDUSSCGKSA-N 1 0 241.419 3.701 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000355682336 387566675 /nfs/dbraw/zinc/56/66/75/387566675.db2.gz PGFVLHVXBZTSNH-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000355682337 387566438 /nfs/dbraw/zinc/56/64/38/387566438.db2.gz PGFVLHVXBZTSNH-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO Cc1ccccc1C1CC[NH+](C(C)C)CC1 ZINC000355683667 179256329 /nfs/dbraw/zinc/25/63/29/179256329.db2.gz STDMDAGMTMHLCQ-UHFFFAOYSA-N 1 0 217.356 3.583 20 0 BHADRO CC(C)COC1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000355685418 167023749 /nfs/dbraw/zinc/02/37/49/167023749.db2.gz WWAINSPMTRPJHN-AWEZNQCLSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)COC1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000355685420 167023025 /nfs/dbraw/zinc/02/30/25/167023025.db2.gz WWAINSPMTRPJHN-CQSZACIVSA-N 1 0 241.419 3.558 20 0 BHADRO c1cc(Oc2ccccc2)oc1C[NH2+]C1CCC1 ZINC000355687882 397917530 /nfs/dbraw/zinc/91/75/30/397917530.db2.gz YSIBQBXBCHWZFM-UHFFFAOYSA-N 1 0 243.306 3.714 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000355690905 397917490 /nfs/dbraw/zinc/91/74/90/397917490.db2.gz CUGODJLVWFDOEC-UHFFFAOYSA-N 1 0 217.356 3.697 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000355691200 397918382 /nfs/dbraw/zinc/91/83/82/397918382.db2.gz DVTYTDUUVRGTSU-JTQLQIEISA-N 1 0 235.352 3.843 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000355691201 397918032 /nfs/dbraw/zinc/91/80/32/397918032.db2.gz DVTYTDUUVRGTSU-SNVBAGLBSA-N 1 0 235.352 3.843 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000355691742 397918236 /nfs/dbraw/zinc/91/82/36/397918236.db2.gz IXEOFLOTIKJLBP-BXUZGUMPSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000355691743 397918217 /nfs/dbraw/zinc/91/82/17/397918217.db2.gz IXEOFLOTIKJLBP-FZMZJTMJSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000355691744 397918224 /nfs/dbraw/zinc/91/82/24/397918224.db2.gz IXEOFLOTIKJLBP-RISCZKNCSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000355691745 397918096 /nfs/dbraw/zinc/91/80/96/397918096.db2.gz IXEOFLOTIKJLBP-SMDDNHRTSA-N 1 0 221.344 3.599 20 0 BHADRO CCCO[C@H]1CCC[N@@H+]([C@H](C)CC(C)C)CC1 ZINC000355693500 397918008 /nfs/dbraw/zinc/91/80/08/397918008.db2.gz YERXHJWBWMGQRG-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)CC(C)C)CC1 ZINC000355693501 169312939 /nfs/dbraw/zinc/31/29/39/169312939.db2.gz YERXHJWBWMGQRG-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)CC(C)C)CC1 ZINC000355693502 169311541 /nfs/dbraw/zinc/31/15/41/169311541.db2.gz YERXHJWBWMGQRG-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CC(C)C)CC1 ZINC000355693503 169312199 /nfs/dbraw/zinc/31/21/99/169312199.db2.gz YERXHJWBWMGQRG-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO c1cc(C[N@@H+](CC2CC2)C2CCC2)cs1 ZINC000355722064 183337651 /nfs/dbraw/zinc/33/76/51/183337651.db2.gz BCOYLBIENRDDSJ-UHFFFAOYSA-N 1 0 221.369 3.513 20 0 BHADRO Cc1ccoc1C[N@H+](CC1CC1)CC1CCC1 ZINC000355723492 179514272 /nfs/dbraw/zinc/51/42/72/179514272.db2.gz CTUTVZNELJWSGT-UHFFFAOYSA-N 1 0 233.355 3.600 20 0 BHADRO Clc1ccc(C[N@H+](CC2CC2)C2CCC2)o1 ZINC000355725828 387570975 /nfs/dbraw/zinc/57/09/75/387570975.db2.gz HCAWJNXIPDSLDF-UHFFFAOYSA-N 1 0 239.746 3.698 20 0 BHADRO c1cc(C[N@H+](CC2CC2)CC2CCC2)cs1 ZINC000355726512 183338797 /nfs/dbraw/zinc/33/87/97/183338797.db2.gz IAOMNKCUKOGWAP-UHFFFAOYSA-N 1 0 235.396 3.760 20 0 BHADRO CCc1ccc(C[N@H+](CC2CC2)C2CCC2)o1 ZINC000355728542 387574090 /nfs/dbraw/zinc/57/40/90/387574090.db2.gz KHTKTEIXWAKJIC-UHFFFAOYSA-N 1 0 233.355 3.607 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1cc2cccc(F)c2o1 ZINC000355734569 387574013 /nfs/dbraw/zinc/57/40/13/387574013.db2.gz NACDNEKYKROKBX-SECBINFHSA-N 1 0 239.265 3.582 20 0 BHADRO C[C@H]([NH2+]CCCF)c1cc2cccc(F)c2o1 ZINC000355734571 387573571 /nfs/dbraw/zinc/57/35/71/387573571.db2.gz NACDNEKYKROKBX-VIFPVBQESA-N 1 0 239.265 3.582 20 0 BHADRO Cc1ccc(C[N@H+](CC2CC2)CC2CCC2)o1 ZINC000355735170 387573667 /nfs/dbraw/zinc/57/36/67/387573667.db2.gz RTCXXPIQRMHIAT-UHFFFAOYSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c(C)n1 ZINC000355735456 387573844 /nfs/dbraw/zinc/57/38/44/387573844.db2.gz DECGDIWVUVXEFU-JMSVASOKSA-N 1 0 246.398 3.565 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c(C)n1 ZINC000355735459 387572650 /nfs/dbraw/zinc/57/26/50/387572650.db2.gz DECGDIWVUVXEFU-LALPHHSUSA-N 1 0 246.398 3.565 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c(C)n1 ZINC000355735461 387573580 /nfs/dbraw/zinc/57/35/80/387573580.db2.gz DECGDIWVUVXEFU-TYNCELHUSA-N 1 0 246.398 3.565 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c(C)n1 ZINC000355735463 387572830 /nfs/dbraw/zinc/57/28/30/387572830.db2.gz DECGDIWVUVXEFU-XUJVJEKNSA-N 1 0 246.398 3.565 20 0 BHADRO Fc1cccc(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000355735737 387573630 /nfs/dbraw/zinc/57/36/30/387573630.db2.gz SVKKYNWWZXINPI-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO c1csc(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000355741055 387575466 /nfs/dbraw/zinc/57/54/66/387575466.db2.gz YYDNADKTXGFCCD-UHFFFAOYSA-N 1 0 221.369 3.513 20 0 BHADRO CCSCC[NH2+]Cc1oc2ccccc2c1C ZINC000355745502 387575580 /nfs/dbraw/zinc/57/55/80/387575580.db2.gz GZCHARTUNGMJFZ-UHFFFAOYSA-N 1 0 249.379 3.584 20 0 BHADRO C[N@H+](CCc1ccccc1Cl)Cc1ccco1 ZINC000355748773 387576875 /nfs/dbraw/zinc/57/68/75/387576875.db2.gz JFNGCJYYNQAEKH-UHFFFAOYSA-N 1 0 249.741 3.608 20 0 BHADRO C[N@H+](CCc1ccccc1Cl)Cc1ccoc1 ZINC000355763043 397918962 /nfs/dbraw/zinc/91/89/62/397918962.db2.gz UNSQADADGRMULE-UHFFFAOYSA-N 1 0 249.741 3.608 20 0 BHADRO C[C@H]1c2ccccc2CC[N@H+]1CCC(F)(F)F ZINC000355876388 387587437 /nfs/dbraw/zinc/58/74/37/387587437.db2.gz AKYDOWVWZSVHTF-JTQLQIEISA-N 1 0 243.272 3.558 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@H+]1CCC(F)(F)F ZINC000355876389 387587909 /nfs/dbraw/zinc/58/79/09/387587909.db2.gz AKYDOWVWZSVHTF-SNVBAGLBSA-N 1 0 243.272 3.558 20 0 BHADRO FC(F)(F)CC[N@H+](Cc1cccs1)C1CC1 ZINC000355881401 387589777 /nfs/dbraw/zinc/58/97/77/387589777.db2.gz PWAHGQHDCBFIPX-UHFFFAOYSA-N 1 0 249.301 3.665 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000355882062 387589209 /nfs/dbraw/zinc/58/92/09/387589209.db2.gz ROMBMRLFFHIMAB-GFCCVEGCSA-N 1 0 247.304 3.761 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000355882076 387590101 /nfs/dbraw/zinc/59/01/01/387590101.db2.gz ROMBMRLFFHIMAB-LBPRGKRZSA-N 1 0 247.304 3.761 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CC1CCC(C)CC1 ZINC000355909555 168154205 /nfs/dbraw/zinc/15/42/05/168154205.db2.gz URVRVPZXGBJXHO-SHARSMKWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CC1CCC(C)CC1 ZINC000355909557 168153635 /nfs/dbraw/zinc/15/36/35/168153635.db2.gz URVRVPZXGBJXHO-SLTAFYQDSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000355912338 179069724 /nfs/dbraw/zinc/06/97/24/179069724.db2.gz LRBMMTWHUUSVLJ-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000355912349 179070296 /nfs/dbraw/zinc/07/02/96/179070296.db2.gz LRBMMTWHUUSVLJ-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](C(C)C)C1 ZINC000355914792 179348608 /nfs/dbraw/zinc/34/86/08/179348608.db2.gz OARDGIGSKUJCAA-KBPBESRZSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](C(C)C)C1 ZINC000355914836 179349208 /nfs/dbraw/zinc/34/92/08/179349208.db2.gz OARDGIGSKUJCAA-KGLIPLIRSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C(C)C)C1 ZINC000355914843 179331986 /nfs/dbraw/zinc/33/19/86/179331986.db2.gz OARDGIGSKUJCAA-UONOGXRCSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C(C)C)C1 ZINC000355914846 179330005 /nfs/dbraw/zinc/33/00/05/179330005.db2.gz OARDGIGSKUJCAA-ZIAGYGMSSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccs2)n1 ZINC000355915743 179069626 /nfs/dbraw/zinc/06/96/26/179069626.db2.gz PIZDZWHGLWEUGS-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccs2)n1 ZINC000355915747 179070283 /nfs/dbraw/zinc/07/02/83/179070283.db2.gz PIZDZWHGLWEUGS-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CCOc1ccccc1C1=CC[N@@H+](C(C)C)CC1 ZINC000355917910 387595931 /nfs/dbraw/zinc/59/59/31/387595931.db2.gz UFMZXKLIEAMCRZ-UHFFFAOYSA-N 1 0 245.366 3.583 20 0 BHADRO Fc1ccccc1C[NH+](C1CCC1)C1CCC1 ZINC000355918567 181011463 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CSc1ccc(C[N@@H+]2CCC23CCC3)s1 ZINC000356129507 387617784 /nfs/dbraw/zinc/61/77/84/387617784.db2.gz CHKVRFSEPQEHEP-UHFFFAOYSA-N 1 0 239.409 3.598 20 0 BHADRO CC[N@H+](Cc1ccc(SC)s1)C1CCC1 ZINC000356137937 356789765 /nfs/dbraw/zinc/78/97/65/356789765.db2.gz QVPKBMXNDVPZKJ-UHFFFAOYSA-N 1 0 241.425 3.844 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H]2C2CCC2)CCC1 ZINC000356232084 387632306 /nfs/dbraw/zinc/63/23/06/387632306.db2.gz OHTCQPLIWHBGCJ-CYBMUJFWSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H]2C2CCC2)CCC1 ZINC000356232085 387631270 /nfs/dbraw/zinc/63/12/70/387631270.db2.gz OHTCQPLIWHBGCJ-ZDUSSCGKSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cscc1C(F)(F)F ZINC000356232955 176110048 /nfs/dbraw/zinc/11/00/48/176110048.db2.gz QMQVMSGCNDBUOI-MRVPVSSYSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cscc1C(F)(F)F ZINC000356232956 177110842 /nfs/dbraw/zinc/11/08/42/177110842.db2.gz QMQVMSGCNDBUOI-QMMMGPOBSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)Cc1c(F)cccc1F 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ZINC000356268904 387635827 /nfs/dbraw/zinc/63/58/27/387635827.db2.gz FJHDDGSQYDWOBV-HZPDHXFCSA-N 1 0 241.334 3.706 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)co1 ZINC000356268907 387636181 /nfs/dbraw/zinc/63/61/81/387636181.db2.gz FJHDDGSQYDWOBV-JKSUJKDBSA-N 1 0 241.334 3.706 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000356270871 387635320 /nfs/dbraw/zinc/63/53/20/387635320.db2.gz BHPMMXDNMSASHG-AWEZNQCLSA-N 1 0 247.407 3.821 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000356270877 386230432 /nfs/dbraw/zinc/23/04/32/386230432.db2.gz BHPMMXDNMSASHG-CQSZACIVSA-N 1 0 247.407 3.821 20 0 BHADRO CC1(C2CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000356272262 168014945 /nfs/dbraw/zinc/01/49/45/168014945.db2.gz BTHVJPSSIJDTRO-UHFFFAOYSA-N 1 0 235.396 3.760 20 0 BHADRO CCc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000356272452 387635694 /nfs/dbraw/zinc/63/56/94/387635694.db2.gz CHKXCMGDVXUHAZ-HNNXBMFYSA-N 1 0 245.366 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000356272456 387635331 /nfs/dbraw/zinc/63/53/31/387635331.db2.gz CHKXCMGDVXUHAZ-OAHLLOKOSA-N 1 0 245.366 3.607 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000356277860 387638231 /nfs/dbraw/zinc/63/82/31/387638231.db2.gz IBPKCEDTYXPANW-AWEZNQCLSA-N 1 0 247.407 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000356279036 387637153 /nfs/dbraw/zinc/63/71/53/387637153.db2.gz IBPKCEDTYXPANW-CQSZACIVSA-N 1 0 247.407 3.821 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C)(C3CC3)CC2)o1 ZINC000356279096 387638758 /nfs/dbraw/zinc/63/87/58/387638758.db2.gz ISSXVVCRWFBPMQ-UHFFFAOYSA-N 1 0 233.355 3.600 20 0 BHADRO Fc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000356283390 181012260 /nfs/dbraw/zinc/01/22/60/181012260.db2.gz NNICTJNQZXRRLS-HNNXBMFYSA-N 1 0 245.341 3.590 20 0 BHADRO Fc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000356283391 181012033 /nfs/dbraw/zinc/01/20/33/181012033.db2.gz NNICTJNQZXRRLS-OAHLLOKOSA-N 1 0 245.341 3.590 20 0 BHADRO Fc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000356286099 387637443 /nfs/dbraw/zinc/63/74/43/387637443.db2.gz RQAOFKAUFJLHIQ-HNNXBMFYSA-N 1 0 245.341 3.590 20 0 BHADRO Fc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000356286100 387637353 /nfs/dbraw/zinc/63/73/53/387637353.db2.gz RQAOFKAUFJLHIQ-OAHLLOKOSA-N 1 0 245.341 3.590 20 0 BHADRO Cc1ccoc1C[NH+]1CCC(C)(C2CC2)CC1 ZINC000356290252 386258026 /nfs/dbraw/zinc/25/80/26/386258026.db2.gz ZAKPEITXPCLREA-UHFFFAOYSA-N 1 0 233.355 3.600 20 0 BHADRO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356293594 387640896 /nfs/dbraw/zinc/64/08/96/387640896.db2.gz LGGGMXSSOUZSNA-HNNXBMFYSA-N 1 0 245.341 3.590 20 0 BHADRO Fc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356293598 387640872 /nfs/dbraw/zinc/64/08/72/387640872.db2.gz LGGGMXSSOUZSNA-OAHLLOKOSA-N 1 0 245.341 3.590 20 0 BHADRO CSC1(C[N@H+](CC2CC2)C2CCC2)CCC1 ZINC000356293879 387639949 /nfs/dbraw/zinc/63/99/49/387639949.db2.gz FXHHGQUIIDSSPD-UHFFFAOYSA-N 1 0 239.428 3.537 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000356312100 387642590 /nfs/dbraw/zinc/64/25/90/387642590.db2.gz OYWIRMYWLBJZAH-AEGPPILISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000356312104 387642945 /nfs/dbraw/zinc/64/29/45/387642945.db2.gz OYWIRMYWLBJZAH-QEJZJMRPSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000356312108 387642452 /nfs/dbraw/zinc/64/24/52/387642452.db2.gz OYWIRMYWLBJZAH-SNPRPXQTSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000356312110 386309515 /nfs/dbraw/zinc/30/95/15/386309515.db2.gz OYWIRMYWLBJZAH-VHDGCEQUSA-N 1 0 246.398 3.867 20 0 BHADRO CSC1(C[N@@H+]2Cc3ccc(C)cc3C2)CCC1 ZINC000356314683 387642721 /nfs/dbraw/zinc/64/27/21/387642721.db2.gz GPEPCQRSUUUZLT-UHFFFAOYSA-N 1 0 247.407 3.596 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)c1cccc(C)c1)OC ZINC000356332121 388548872 /nfs/dbraw/zinc/54/88/72/388548872.db2.gz JLOXCSNCPGGKNB-CVEARBPZSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CC)c1cccc(C)c1)OC ZINC000356332122 169386113 /nfs/dbraw/zinc/38/61/13/169386113.db2.gz JLOXCSNCPGGKNB-HOTGVXAUSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)c1cccc(C)c1)OC ZINC000356332123 388548809 /nfs/dbraw/zinc/54/88/09/388548809.db2.gz JLOXCSNCPGGKNB-HZPDHXFCSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CC)c1cccc(C)c1)OC ZINC000356332511 169385626 /nfs/dbraw/zinc/38/56/26/169385626.db2.gz JLOXCSNCPGGKNB-JKSUJKDBSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000356332540 169499419 /nfs/dbraw/zinc/49/94/19/169499419.db2.gz JOCBQTGAHMVFMM-CABCVRRESA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000356332542 169385577 /nfs/dbraw/zinc/38/55/77/169385577.db2.gz JOCBQTGAHMVFMM-GJZGRUSLSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)c1ccccc1)OC ZINC000356332543 169499486 /nfs/dbraw/zinc/49/94/86/169499486.db2.gz JOCBQTGAHMVFMM-HUUCEWRRSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CC)c1ccccc1)OC ZINC000356332544 169386020 /nfs/dbraw/zinc/38/60/20/169386020.db2.gz JOCBQTGAHMVFMM-LSDHHAIUSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@](C)(CC)C(=O)Nc1ccc(C)nc1C ZINC000356367811 411377661 /nfs/dbraw/zinc/37/76/61/411377661.db2.gz XHXZWHPXWYQCLB-HNNXBMFYSA-N 1 0 248.370 3.853 20 0 BHADRO CCC[C@@](C)(CC)C(=O)Nc1ccc(C)nc1C ZINC000356367815 411377793 /nfs/dbraw/zinc/37/77/93/411377793.db2.gz XHXZWHPXWYQCLB-OAHLLOKOSA-N 1 0 248.370 3.853 20 0 BHADRO CSC1(C[N@@H+]2CC3(CCC3)C[C@H]2C)CCC1 ZINC000356385489 387651181 /nfs/dbraw/zinc/65/11/81/387651181.db2.gz FDZOFZIKDXHQPG-GFCCVEGCSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@@H+]2CC3(CCC3)C[C@@H]2C)CCC1 ZINC000356385492 387651641 /nfs/dbraw/zinc/65/16/41/387651641.db2.gz FDZOFZIKDXHQPG-LBPRGKRZSA-N 1 0 239.428 3.537 20 0 BHADRO CSC1(C[N@H+](C)[C@@H]2CCC(C)(C)C2)CCC1 ZINC000356397367 387654449 /nfs/dbraw/zinc/65/44/49/387654449.db2.gz QGIYIROITNWLBJ-GFCCVEGCSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@H+](C)[C@H]2CCC(C)(C)C2)CCC1 ZINC000356397368 387653417 /nfs/dbraw/zinc/65/34/17/387653417.db2.gz QGIYIROITNWLBJ-LBPRGKRZSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@@H+]2CCCC3(CCC3)C2)CCC1 ZINC000356399799 387653165 /nfs/dbraw/zinc/65/31/65/387653165.db2.gz UASRQBQXZGSMDX-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CSC1(C[N@H+](CC2CCC2)C(C)C)CCC1 ZINC000356401370 386450674 /nfs/dbraw/zinc/45/06/74/386450674.db2.gz WITXQQAFIXUCKR-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H]2CC2(C)C)s1 ZINC000356402930 387652956 /nfs/dbraw/zinc/65/29/56/387652956.db2.gz ZOIQBFQKDBCVOA-JTQLQIEISA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H]2CC2(C)C)s1 ZINC000356402938 387653902 /nfs/dbraw/zinc/65/39/02/387653902.db2.gz ZOIQBFQKDBCVOA-SNVBAGLBSA-N 1 0 241.425 3.700 20 0 BHADRO CSC1(C[N@H+](C)C[C@@H]2CC=CCC2)CCC1 ZINC000356407522 387656533 /nfs/dbraw/zinc/65/65/33/387656533.db2.gz HJVNFCRBGPFGOE-CYBMUJFWSA-N 1 0 239.428 3.560 20 0 BHADRO CSC1(C[N@H+](C)C[C@H]2CC=CCC2)CCC1 ZINC000356407523 387656349 /nfs/dbraw/zinc/65/63/49/387656349.db2.gz HJVNFCRBGPFGOE-ZDUSSCGKSA-N 1 0 239.428 3.560 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@H+](C)Cc2ccncc2)C1 ZINC000356408259 168130038 /nfs/dbraw/zinc/13/00/38/168130038.db2.gz IIFVKCSNTIHVBJ-BBRMVZONSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)Cc2ccncc2)C1 ZINC000356408261 168125874 /nfs/dbraw/zinc/12/58/74/168125874.db2.gz IIFVKCSNTIHVBJ-CJNGLKHVSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)Cc2ccncc2)C1 ZINC000356408263 168123002 /nfs/dbraw/zinc/12/30/02/168123002.db2.gz IIFVKCSNTIHVBJ-CZUORRHYSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)Cc2ccncc2)C1 ZINC000356408264 168127603 /nfs/dbraw/zinc/12/76/03/168127603.db2.gz IIFVKCSNTIHVBJ-XJKSGUPXSA-N 1 0 244.382 3.506 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2n[nH]cc2C)CC1 ZINC000356418767 387655563 /nfs/dbraw/zinc/65/55/63/387655563.db2.gz GOFAIEKBKBEPAU-UHFFFAOYSA-N 1 0 249.402 3.510 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(CC)nc1 ZINC000356500899 356797694 /nfs/dbraw/zinc/79/76/94/356797694.db2.gz FIKGOHGHGNQPBJ-CYBMUJFWSA-N 1 0 234.387 3.655 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(CC)nc1 ZINC000356500900 356797483 /nfs/dbraw/zinc/79/74/83/356797483.db2.gz FIKGOHGHGNQPBJ-ZDUSSCGKSA-N 1 0 234.387 3.655 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ncc(CC)s1 ZINC000356512839 356797732 /nfs/dbraw/zinc/79/77/32/356797732.db2.gz BQVOWEGDELVKTN-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ncc(CC)s1 ZINC000356512840 356797608 /nfs/dbraw/zinc/79/76/08/356797608.db2.gz BQVOWEGDELVKTN-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000356520706 356798314 /nfs/dbraw/zinc/79/83/14/356798314.db2.gz ISJYAAUNPDISCY-LLVKDONJSA-N 1 0 209.333 3.599 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000356520707 356798513 /nfs/dbraw/zinc/79/85/13/356798513.db2.gz ISJYAAUNPDISCY-NSHDSACASA-N 1 0 209.333 3.599 20 0 BHADRO CC1CCC(C[NH+]2CC3(CCC3(F)F)C2)CC1 ZINC000356521477 168153714 /nfs/dbraw/zinc/15/37/14/168153714.db2.gz HLOULNXRGZYEQK-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cnc(CC)s1 ZINC000356524897 356798344 /nfs/dbraw/zinc/79/83/44/356798344.db2.gz NFBPMWOXVMDXSJ-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cnc(CC)s1 ZINC000356524904 356798263 /nfs/dbraw/zinc/79/82/63/356798263.db2.gz NFBPMWOXVMDXSJ-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000356668135 387694717 /nfs/dbraw/zinc/69/47/17/387694717.db2.gz CMHRDCZCPQJSOX-BZPMIXESSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000356668149 387694512 /nfs/dbraw/zinc/69/45/12/387694512.db2.gz CMHRDCZCPQJSOX-MYZSUADSSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000356668152 179497490 /nfs/dbraw/zinc/49/74/90/179497490.db2.gz CMHRDCZCPQJSOX-OBJOEFQTSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000356668155 179497105 /nfs/dbraw/zinc/49/71/05/179497105.db2.gz CMHRDCZCPQJSOX-OSRDXIQISA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccnc1 ZINC000356671440 176902399 /nfs/dbraw/zinc/90/23/99/176902399.db2.gz GNJCPSOSVWDFFH-DSJMHWKBSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccnc1 ZINC000356671444 387696537 /nfs/dbraw/zinc/69/65/37/387696537.db2.gz GNJCPSOSVWDFFH-KNCOVGOOSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccnc1 ZINC000356671465 176902808 /nfs/dbraw/zinc/90/28/08/176902808.db2.gz GNJCPSOSVWDFFH-RZLSGREXSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccnc1 ZINC000356671468 176902932 /nfs/dbraw/zinc/90/29/32/176902932.db2.gz GNJCPSOSVWDFFH-TTZDDIAXSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000356678525 179499919 /nfs/dbraw/zinc/49/99/19/179499919.db2.gz NSEVYNXBZNXBEY-FPMFFAJLSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000356678534 387699343 /nfs/dbraw/zinc/69/93/43/387699343.db2.gz NSEVYNXBZNXBEY-KWCYVHTRSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000356678536 387699163 /nfs/dbraw/zinc/69/91/63/387699163.db2.gz NSEVYNXBZNXBEY-UBHSHLNASA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000356678538 387699015 /nfs/dbraw/zinc/69/90/15/387699015.db2.gz NSEVYNXBZNXBEY-XBFCOCLRSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000356699676 387704437 /nfs/dbraw/zinc/70/44/37/387704437.db2.gz PEEWYFGSVFEQJT-KBPBESRZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000356699679 179500542 /nfs/dbraw/zinc/50/05/42/179500542.db2.gz PEEWYFGSVFEQJT-KGLIPLIRSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000356699680 387703318 /nfs/dbraw/zinc/70/33/18/387703318.db2.gz PEEWYFGSVFEQJT-UONOGXRCSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000356699683 387704566 /nfs/dbraw/zinc/70/45/66/387704566.db2.gz PEEWYFGSVFEQJT-ZIAGYGMSSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000356707381 171536928 /nfs/dbraw/zinc/53/69/28/171536928.db2.gz YCFFRXJHTQQMKH-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000356707392 171538304 /nfs/dbraw/zinc/53/83/04/171538304.db2.gz YCFFRXJHTQQMKH-CWRNSKLLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000356707398 388550608 /nfs/dbraw/zinc/55/06/08/388550608.db2.gz YCFFRXJHTQQMKH-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000356707411 388550728 /nfs/dbraw/zinc/55/07/28/388550728.db2.gz YCFFRXJHTQQMKH-VNQPRFMTSA-N 1 0 247.382 3.685 20 0 BHADRO CCC1(C)CCC([NH2+]CC2(OC)CCC2)CC1 ZINC000356774505 168443504 /nfs/dbraw/zinc/44/35/04/168443504.db2.gz LHFMEFTWTPZSLG-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@H](C)CCC2CCCC2)CCC1 ZINC000356781922 174003929 /nfs/dbraw/zinc/00/39/29/174003929.db2.gz QGHIAKAYGAPOFU-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)CCC2CCCC2)CCC1 ZINC000356781923 187213806 /nfs/dbraw/zinc/21/38/06/187213806.db2.gz QGHIAKAYGAPOFU-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000356843376 356806502 /nfs/dbraw/zinc/80/65/02/356806502.db2.gz GZZAOENWSVXPRL-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]Cc1cccs1 ZINC000356843377 356806314 /nfs/dbraw/zinc/80/63/14/356806314.db2.gz GZZAOENWSVXPRL-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000356862341 387733604 /nfs/dbraw/zinc/73/36/04/387733604.db2.gz ZMMHZUPGJXEZCZ-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000356862343 356807396 /nfs/dbraw/zinc/80/73/96/356807396.db2.gz ZMMHZUPGJXEZCZ-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000356863713 187376718 /nfs/dbraw/zinc/37/67/18/187376718.db2.gz BRCHTQCECZPWTC-KBPBESRZSA-N 1 0 236.403 3.576 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000356863714 187551934 /nfs/dbraw/zinc/55/19/34/187551934.db2.gz BRCHTQCECZPWTC-KGLIPLIRSA-N 1 0 236.403 3.576 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000356863715 387736423 /nfs/dbraw/zinc/73/64/23/387736423.db2.gz BRCHTQCECZPWTC-UONOGXRCSA-N 1 0 236.403 3.576 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000356863716 187376953 /nfs/dbraw/zinc/37/69/53/187376953.db2.gz BRCHTQCECZPWTC-ZIAGYGMSSA-N 1 0 236.403 3.576 20 0 BHADRO Fc1ccc(C2([NH2+]Cc3ccsc3)CC2)cc1 ZINC000356867522 387736225 /nfs/dbraw/zinc/73/62/25/387736225.db2.gz OUBHULRSFPGPKC-UHFFFAOYSA-N 1 0 247.338 3.666 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000356907520 387743507 /nfs/dbraw/zinc/74/35/07/387743507.db2.gz XHXWMHIVECOFKV-AVGNSLFASA-N 1 0 237.391 3.521 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000356907521 188238723 /nfs/dbraw/zinc/23/87/23/188238723.db2.gz XHXWMHIVECOFKV-RWMBFGLXSA-N 1 0 237.391 3.521 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000356907522 187377072 /nfs/dbraw/zinc/37/70/72/187377072.db2.gz XHXWMHIVECOFKV-XQQFMLRXSA-N 1 0 237.391 3.521 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000356907523 384568051 /nfs/dbraw/zinc/56/80/51/384568051.db2.gz XHXWMHIVECOFKV-YNEHKIRRSA-N 1 0 237.391 3.521 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccco2)ccc1Cl ZINC000356908284 387744905 /nfs/dbraw/zinc/74/49/05/387744905.db2.gz BTUPZCTYPVEQOG-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000356956550 176117343 /nfs/dbraw/zinc/11/73/43/176117343.db2.gz MEVGRBOXJCPXSZ-CHWSQXEVSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000356956552 176137540 /nfs/dbraw/zinc/13/75/40/176137540.db2.gz MEVGRBOXJCPXSZ-OLZOCXBDSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000356956553 177119339 /nfs/dbraw/zinc/11/93/39/177119339.db2.gz MEVGRBOXJCPXSZ-QWHCGFSZSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCC[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000356956556 177132939 /nfs/dbraw/zinc/13/29/39/177132939.db2.gz MEVGRBOXJCPXSZ-STQMWFEESA-N 1 0 221.344 3.538 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccc[nH]2)ccc1Cl ZINC000356971729 387757373 /nfs/dbraw/zinc/75/73/73/387757373.db2.gz AOEDVQOZHARNPT-UHFFFAOYSA-N 1 0 248.757 3.609 20 0 BHADRO Cc1cnc([C@@H](C)[N@H+](C)CC2CCCCC2)o1 ZINC000356975126 387756371 /nfs/dbraw/zinc/75/63/71/387756371.db2.gz JNJJDTHNDCAGFA-GFCCVEGCSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@H+](C)CC2CCCCC2)o1 ZINC000356975128 387757744 /nfs/dbraw/zinc/75/77/44/387757744.db2.gz JNJJDTHNDCAGFA-LBPRGKRZSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC000356975426 356811332 /nfs/dbraw/zinc/81/13/32/356811332.db2.gz BBASLZYEWOMNAV-CHWSQXEVSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC000356975430 387757402 /nfs/dbraw/zinc/75/74/02/387757402.db2.gz BBASLZYEWOMNAV-OLZOCXBDSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000356975434 356810972 /nfs/dbraw/zinc/81/09/72/356810972.db2.gz BBASLZYEWOMNAV-QWHCGFSZSA-N 1 0 236.359 3.556 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000356975438 387756138 /nfs/dbraw/zinc/75/61/38/387756138.db2.gz BBASLZYEWOMNAV-STQMWFEESA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCC2)ccc1Cl ZINC000356977598 387759770 /nfs/dbraw/zinc/75/97/70/387759770.db2.gz YABOUHJCVDREII-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356985215 387759790 /nfs/dbraw/zinc/75/97/90/387759790.db2.gz NOQGEVOXMCRKSD-CHWSQXEVSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356985217 387759215 /nfs/dbraw/zinc/75/92/15/387759215.db2.gz NOQGEVOXMCRKSD-OLZOCXBDSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356985218 387759487 /nfs/dbraw/zinc/75/94/87/387759487.db2.gz NOQGEVOXMCRKSD-QWHCGFSZSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356985220 387759963 /nfs/dbraw/zinc/75/99/63/387759963.db2.gz NOQGEVOXMCRKSD-STQMWFEESA-N 1 0 236.359 3.556 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[C@@H](C)C1 ZINC000356988179 356811232 /nfs/dbraw/zinc/81/12/32/356811232.db2.gz QJVKHVVSOQNXHQ-GDBMZVCRSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[C@H](C)C1 ZINC000356988180 169926243 /nfs/dbraw/zinc/92/62/43/169926243.db2.gz QJVKHVVSOQNXHQ-GOEBONIOSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H]1CCC[C@H](C)C1 ZINC000356988182 169925412 /nfs/dbraw/zinc/92/54/12/169925412.db2.gz QJVKHVVSOQNXHQ-HOCLYGCPSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H]1CCC[C@@H](C)C1 ZINC000356988183 169925809 /nfs/dbraw/zinc/92/58/09/169925809.db2.gz QJVKHVVSOQNXHQ-ZBFHGGJFSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@@H](C)C1 ZINC000356994972 356812136 /nfs/dbraw/zinc/81/21/36/356812136.db2.gz ZZGTZPWIGLLFBE-CABCVRRESA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@H](C)C1 ZINC000356994974 356812015 /nfs/dbraw/zinc/81/20/15/356812015.db2.gz ZZGTZPWIGLLFBE-GJZGRUSLSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[C@@H](C)C1 ZINC000356994977 356811995 /nfs/dbraw/zinc/81/19/95/356811995.db2.gz ZZGTZPWIGLLFBE-HUUCEWRRSA-N 1 0 246.398 3.730 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[C@H](C)C1 ZINC000356994980 356812074 /nfs/dbraw/zinc/81/20/74/356812074.db2.gz ZZGTZPWIGLLFBE-LSDHHAIUSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000356996093 176117578 /nfs/dbraw/zinc/11/75/78/176117578.db2.gz HLSNCTSOVNFSKI-CHWSQXEVSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000356996094 176137502 /nfs/dbraw/zinc/13/75/02/176137502.db2.gz HLSNCTSOVNFSKI-OLZOCXBDSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000356996095 177119105 /nfs/dbraw/zinc/11/91/05/177119105.db2.gz HLSNCTSOVNFSKI-QWHCGFSZSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCC[C@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000356996096 177133494 /nfs/dbraw/zinc/13/34/94/177133494.db2.gz HLSNCTSOVNFSKI-STQMWFEESA-N 1 0 221.344 3.538 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccoc2)ccc1Cl ZINC000356998194 387762116 /nfs/dbraw/zinc/76/21/16/387762116.db2.gz SUDURHUMKGSOEG-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356999311 386682930 /nfs/dbraw/zinc/68/29/30/386682930.db2.gz JZTLATYBIMOVGW-GFCCVEGCSA-N 1 0 236.359 3.556 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356999312 386681857 /nfs/dbraw/zinc/68/18/57/386681857.db2.gz JZTLATYBIMOVGW-LBPRGKRZSA-N 1 0 236.359 3.556 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000357009528 386689323 /nfs/dbraw/zinc/68/93/23/386689323.db2.gz KDYXYBAFVBRUPC-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000357009532 386690246 /nfs/dbraw/zinc/69/02/46/386690246.db2.gz KDYXYBAFVBRUPC-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+]2CCCC(C)(C)CC2)o1 ZINC000357011009 386687831 /nfs/dbraw/zinc/68/78/31/386687831.db2.gz XFJNAORKNONVJV-GFCCVEGCSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CCCC(C)(C)CC2)o1 ZINC000357011010 386688655 /nfs/dbraw/zinc/68/86/55/386688655.db2.gz XFJNAORKNONVJV-LBPRGKRZSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000357012420 179065534 /nfs/dbraw/zinc/06/55/34/179065534.db2.gz YWCJHCHISDCFOI-DZGCQCFKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000357012421 179066148 /nfs/dbraw/zinc/06/61/48/179066148.db2.gz YWCJHCHISDCFOI-HIFRSBDPSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000357012422 179067801 /nfs/dbraw/zinc/06/78/01/179067801.db2.gz YWCJHCHISDCFOI-UKRRQHHQSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H]2CCC[C@H](C)C2)n1 ZINC000357012423 179066850 /nfs/dbraw/zinc/06/68/50/179066850.db2.gz YWCJHCHISDCFOI-ZFWWWQNUSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2CCC2)c(C)s1 ZINC000357025922 386691449 /nfs/dbraw/zinc/69/14/49/386691449.db2.gz QJKBKBPYBWJIGE-LLVKDONJSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2CCC2)c(C)s1 ZINC000357026267 386692861 /nfs/dbraw/zinc/69/28/61/386692861.db2.gz QJKBKBPYBWJIGE-NSHDSACASA-N 1 0 237.412 3.985 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)Cc1cc(F)ccc1F ZINC000357028296 386696956 /nfs/dbraw/zinc/69/69/56/386696956.db2.gz UHBSHIPIXXHFFL-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)Cc1cc(F)ccc1F ZINC000357028297 384744943 /nfs/dbraw/zinc/74/49/43/384744943.db2.gz UHBSHIPIXXHFFL-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)Cc1cccc(F)c1F ZINC000357029777 386697049 /nfs/dbraw/zinc/69/70/49/386697049.db2.gz XDOLMPWCPABSLC-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)Cc1cccc(F)c1F ZINC000357029778 386697772 /nfs/dbraw/zinc/69/77/72/386697772.db2.gz XDOLMPWCPABSLC-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)CSCc1ccc(-n2ccnc2)cc1 ZINC000357033783 386697496 /nfs/dbraw/zinc/69/74/96/386697496.db2.gz GSFPGQFCLAIQSE-UHFFFAOYSA-N 1 0 246.379 3.762 20 0 BHADRO CC[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000357040751 170140799 /nfs/dbraw/zinc/14/07/99/170140799.db2.gz OMFVVHFAWXPQLD-JTQLQIEISA-N 1 0 246.379 3.789 20 0 BHADRO CC[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000357040754 170159242 /nfs/dbraw/zinc/15/92/42/170159242.db2.gz OMFVVHFAWXPQLD-SNVBAGLBSA-N 1 0 246.379 3.789 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000357048669 386703472 /nfs/dbraw/zinc/70/34/72/386703472.db2.gz XEHKPCWKAFSSQZ-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000357048672 386704101 /nfs/dbraw/zinc/70/41/01/386704101.db2.gz XEHKPCWKAFSSQZ-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)c(C)s1 ZINC000357111558 386721607 /nfs/dbraw/zinc/72/16/07/386721607.db2.gz RXRMZBGCIHTGMD-LLVKDONJSA-N 1 0 237.412 3.987 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)CC2)c(C)s1 ZINC000357111559 386719549 /nfs/dbraw/zinc/71/95/49/386719549.db2.gz RXRMZBGCIHTGMD-NSHDSACASA-N 1 0 237.412 3.987 20 0 BHADRO Cc1[nH+]ccc(N(C)Cc2ccccc2)c1Cl ZINC000357306119 188239580 /nfs/dbraw/zinc/23/95/80/188239580.db2.gz OBJRBXWWSVPRGX-UHFFFAOYSA-N 1 0 246.741 3.680 20 0 BHADRO Cc1[nH+]ccc(N2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000357324292 132273232 /nfs/dbraw/zinc/27/32/32/132273232.db2.gz PHPGBFATCRKWCI-AOOOYVTPSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC000357324294 132273585 /nfs/dbraw/zinc/27/35/85/132273585.db2.gz PHPGBFATCRKWCI-NXEZZACHSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC000357324296 132273515 /nfs/dbraw/zinc/27/35/15/132273515.db2.gz PHPGBFATCRKWCI-UWVGGRQHSA-N 1 0 238.762 3.526 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000357363149 386770276 /nfs/dbraw/zinc/77/02/76/386770276.db2.gz IDXQJUPYOFDYMF-DOMZBBRYSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000357363150 386771181 /nfs/dbraw/zinc/77/11/81/386771181.db2.gz IDXQJUPYOFDYMF-IUODEOHRSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000357363151 171285597 /nfs/dbraw/zinc/28/55/97/171285597.db2.gz IDXQJUPYOFDYMF-SWLSCSKDSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000357363152 171284606 /nfs/dbraw/zinc/28/46/06/171284606.db2.gz IDXQJUPYOFDYMF-WFASDCNBSA-N 1 0 249.423 3.653 20 0 BHADRO CCO[C@H](CC[NH2+]C[C@@H](C)CC)C1CCCC1 ZINC000357370906 386770280 /nfs/dbraw/zinc/77/02/80/386770280.db2.gz QNDRZRCFDNPWGL-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CCO[C@@H](CC[NH2+]C[C@H](C)CC)C1CCCC1 ZINC000357370908 170478494 /nfs/dbraw/zinc/47/84/94/170478494.db2.gz QNDRZRCFDNPWGL-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CCO[C@H](CC[NH2+]C[C@H](C)CC)C1CCCC1 ZINC000357370911 386770700 /nfs/dbraw/zinc/77/07/00/386770700.db2.gz QNDRZRCFDNPWGL-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CCO[C@@H](CC[NH2+]C[C@@H](C)CC)C1CCCC1 ZINC000357370913 386769755 /nfs/dbraw/zinc/76/97/55/386769755.db2.gz QNDRZRCFDNPWGL-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000357389050 168277209 /nfs/dbraw/zinc/27/72/09/168277209.db2.gz JYRVVYFYNNLAJZ-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](C)CC ZINC000357418542 386780273 /nfs/dbraw/zinc/78/02/73/386780273.db2.gz SFZZOSRKLUKRRQ-DOMZBBRYSA-N 1 0 247.382 3.708 20 0 BHADRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H](C)CC ZINC000357418543 386778917 /nfs/dbraw/zinc/77/89/17/386778917.db2.gz SFZZOSRKLUKRRQ-IUODEOHRSA-N 1 0 247.382 3.708 20 0 BHADRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](C)CC ZINC000357418544 384519240 /nfs/dbraw/zinc/51/92/40/384519240.db2.gz SFZZOSRKLUKRRQ-SWLSCSKDSA-N 1 0 247.382 3.708 20 0 BHADRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](C)CC ZINC000357418545 171869285 /nfs/dbraw/zinc/86/92/85/171869285.db2.gz SFZZOSRKLUKRRQ-WFASDCNBSA-N 1 0 247.382 3.708 20 0 BHADRO CCCc1nc(C[N@H+](C)[C@H](C)C(C)C)cs1 ZINC000357488528 384904816 /nfs/dbraw/zinc/90/48/16/384904816.db2.gz TWLNGDGYVIKEDF-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CCCc1nc(C[N@H+](C)[C@@H](C)C(C)C)cs1 ZINC000357488547 384905003 /nfs/dbraw/zinc/90/50/03/384905003.db2.gz TWLNGDGYVIKEDF-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO CCN(CCc1cccs1)c1cc[nH+]c(C)c1 ZINC000357506633 386795725 /nfs/dbraw/zinc/79/57/25/386795725.db2.gz CVBZTDPFRRLRMK-UHFFFAOYSA-N 1 0 246.379 3.521 20 0 BHADRO Cc1cc(C[N@@H+](CC(C)C)C2CC2)c(C)s1 ZINC000357521831 397937289 /nfs/dbraw/zinc/93/72/89/397937289.db2.gz IQMGQHBTQQBFJG-UHFFFAOYSA-N 1 0 237.412 3.985 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc(C)c(C)s1 ZINC000357525605 171037293 /nfs/dbraw/zinc/03/72/93/171037293.db2.gz DVUGZDUTRXZHRR-BXKDBHETSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C)c(C)s1 ZINC000357525608 171053517 /nfs/dbraw/zinc/05/35/17/171053517.db2.gz DVUGZDUTRXZHRR-JOYOIKCWSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1 ZINC000357526526 171037363 /nfs/dbraw/zinc/03/73/63/171037363.db2.gz GJQVUOJCUBYUAG-BXUZGUMPSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1 ZINC000357526527 397937652 /nfs/dbraw/zinc/93/76/52/397937652.db2.gz GJQVUOJCUBYUAG-FZMZJTMJSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1 ZINC000357526528 397937251 /nfs/dbraw/zinc/93/72/51/397937251.db2.gz GJQVUOJCUBYUAG-RISCZKNCSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1 ZINC000357526529 171053956 /nfs/dbraw/zinc/05/39/56/171053956.db2.gz GJQVUOJCUBYUAG-SMDDNHRTSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1N(C)C ZINC000357529247 171053474 /nfs/dbraw/zinc/05/34/74/171053474.db2.gz NBUVWPGZWWZMKD-DZGCQCFKSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1N(C)C ZINC000357529252 385038159 /nfs/dbraw/zinc/03/81/59/385038159.db2.gz NBUVWPGZWWZMKD-HIFRSBDPSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1N(C)C ZINC000357529256 171038168 /nfs/dbraw/zinc/03/81/68/171038168.db2.gz NBUVWPGZWWZMKD-UKRRQHHQSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1N(C)C ZINC000357529259 385039290 /nfs/dbraw/zinc/03/92/90/385039290.db2.gz NBUVWPGZWWZMKD-ZFWWWQNUSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1F ZINC000357548232 386802111 /nfs/dbraw/zinc/80/21/11/386802111.db2.gz CFFXBOOVDFKPTD-AAEUAGOBSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1F ZINC000357548234 171038307 /nfs/dbraw/zinc/03/83/07/171038307.db2.gz CFFXBOOVDFKPTD-DGCLKSJQSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1F ZINC000357548235 171054736 /nfs/dbraw/zinc/05/47/36/171054736.db2.gz CFFXBOOVDFKPTD-WCQYABFASA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1F ZINC000357548236 385062861 /nfs/dbraw/zinc/06/28/61/385062861.db2.gz CFFXBOOVDFKPTD-YPMHNXCESA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1sc(C)nc1C ZINC000357548834 171038318 /nfs/dbraw/zinc/03/83/18/171038318.db2.gz BQJAXCMQBMEJEW-BXKDBHETSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1sc(C)nc1C ZINC000357548835 386803285 /nfs/dbraw/zinc/80/32/85/386803285.db2.gz BQJAXCMQBMEJEW-CABZTGNLSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1sc(C)nc1C ZINC000357548837 171053349 /nfs/dbraw/zinc/05/33/49/171053349.db2.gz BQJAXCMQBMEJEW-JOYOIKCWSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1sc(C)nc1C ZINC000357548838 386803270 /nfs/dbraw/zinc/80/32/70/386803270.db2.gz BQJAXCMQBMEJEW-SKDRFNHKSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc2ccccc2o1 ZINC000357550601 386805334 /nfs/dbraw/zinc/80/53/34/386805334.db2.gz GPGMZTALMWJNRH-NEPJUHHUSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2ccccc2o1 ZINC000357550603 171054703 /nfs/dbraw/zinc/05/47/03/171054703.db2.gz GPGMZTALMWJNRH-NWDGAFQWSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc2ccccc2o1 ZINC000357550604 386805255 /nfs/dbraw/zinc/80/52/55/386805255.db2.gz GPGMZTALMWJNRH-RYUDHWBXSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc2ccccc2o1 ZINC000357550605 171039300 /nfs/dbraw/zinc/03/93/00/171039300.db2.gz GPGMZTALMWJNRH-VXGBXAGGSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(COC)c1 ZINC000357553979 386805509 /nfs/dbraw/zinc/80/55/09/386805509.db2.gz QTAJALUNVANPPM-BBRMVZONSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(COC)c1 ZINC000357553981 386805020 /nfs/dbraw/zinc/80/50/20/386805020.db2.gz QTAJALUNVANPPM-CJNGLKHVSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(COC)c1 ZINC000357553983 171037858 /nfs/dbraw/zinc/03/78/58/171037858.db2.gz QTAJALUNVANPPM-CZUORRHYSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(COC)c1 ZINC000357553984 171055216 /nfs/dbraw/zinc/05/52/16/171055216.db2.gz QTAJALUNVANPPM-XJKSGUPXSA-N 1 0 247.382 3.596 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc(C)sc1C ZINC000357557230 171039191 /nfs/dbraw/zinc/03/91/91/171039191.db2.gz WVMKLZBJOLZXSQ-BXKDBHETSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc(C)sc1C ZINC000357557231 386806511 /nfs/dbraw/zinc/80/65/11/386806511.db2.gz WVMKLZBJOLZXSQ-CABZTGNLSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C)sc1C ZINC000357557232 171053742 /nfs/dbraw/zinc/05/37/42/171053742.db2.gz WVMKLZBJOLZXSQ-JOYOIKCWSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc(C)sc1C ZINC000357557233 386806119 /nfs/dbraw/zinc/80/61/19/386806119.db2.gz WVMKLZBJOLZXSQ-SKDRFNHKSA-N 1 0 238.400 3.523 20 0 BHADRO CCOCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000357598025 170373820 /nfs/dbraw/zinc/37/38/20/170373820.db2.gz QUHJVRAKPZGFNQ-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000357598038 170373508 /nfs/dbraw/zinc/37/35/08/170373508.db2.gz QUHJVRAKPZGFNQ-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO Cc1occc1C[N@H+](C)CCC1CCCC1 ZINC000357610745 386815137 /nfs/dbraw/zinc/81/51/37/386815137.db2.gz YEWLWPUAGUHKAB-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000357611296 168275537 /nfs/dbraw/zinc/27/55/37/168275537.db2.gz FNODPXLVKPHQPX-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000357611298 168275394 /nfs/dbraw/zinc/27/53/94/168275394.db2.gz FNODPXLVKPHQPX-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC2CCCC2)on1 ZINC000357612061 178240384 /nfs/dbraw/zinc/24/03/84/178240384.db2.gz VFGKOKIKGWZNKF-AWEZNQCLSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CCC2CCCC2)on1 ZINC000357612070 178267039 /nfs/dbraw/zinc/26/70/39/178267039.db2.gz VFGKOKIKGWZNKF-CQSZACIVSA-N 1 0 248.370 3.700 20 0 BHADRO CCC(C)(C)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000357613712 168277159 /nfs/dbraw/zinc/27/71/59/168277159.db2.gz OSUKYWNFWFEQHT-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CCOCCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000357626131 170372095 /nfs/dbraw/zinc/37/20/95/170372095.db2.gz XOLQYPIGYPOKGQ-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO CC[N@H+](CCCSC)Cc1ccccc1C ZINC000357635535 487771355 /nfs/dbraw/zinc/77/13/55/487771355.db2.gz FHFVHVGSWBYNMY-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C(C)C)c(C)s1 ZINC000357652677 386821112 /nfs/dbraw/zinc/82/11/12/386821112.db2.gz GAJVSLRGRKCMKP-AWEZNQCLSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c(C)s1 ZINC000357652680 386822506 /nfs/dbraw/zinc/82/25/06/386822506.db2.gz GAJVSLRGRKCMKP-CQSZACIVSA-N 1 0 237.412 3.985 20 0 BHADRO CCC[N@H+](CCCSC)Cc1ccccc1 ZINC000357658192 169155332 /nfs/dbraw/zinc/15/53/32/169155332.db2.gz CBTWZZZJWIYLNE-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO CSCCC[N@H+](Cc1ccccc1)C(C)C ZINC000357661450 386821927 /nfs/dbraw/zinc/82/19/27/386821927.db2.gz HNLAACKSJSAADG-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC2CCCC2)o1 ZINC000357675602 386824161 /nfs/dbraw/zinc/82/41/61/386824161.db2.gz OWYZQAZYQKAAOB-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1cc(N2CCCC3(CCCC3)C2)cc[nH+]1 ZINC000357681873 132274456 /nfs/dbraw/zinc/27/44/56/132274456.db2.gz JKFSKALDFVOOJL-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO Cc1cc(N2CC=C(C(C)(C)C)CC2)cc[nH+]1 ZINC000357689125 132274479 /nfs/dbraw/zinc/27/44/79/132274479.db2.gz YBZQECAPBOVNSI-UHFFFAOYSA-N 1 0 230.355 3.573 20 0 BHADRO Cc1cc(N2CCC3(CCCC3)CC2)cc[nH+]1 ZINC000357694195 132274515 /nfs/dbraw/zinc/27/45/15/132274515.db2.gz GQVAVMZRRGWQPD-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO CC(F)(F)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000357703921 487916897 /nfs/dbraw/zinc/91/68/97/487916897.db2.gz DSGWFNGAUYLQRW-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000357704962 487916720 /nfs/dbraw/zinc/91/67/20/487916720.db2.gz FZCZZCDZDZKGHZ-UHFFFAOYSA-N 1 0 239.309 3.699 20 0 BHADRO c1ccc2c(c1)C[NH+](CCC1CCCC1)C2 ZINC000357706232 386832304 /nfs/dbraw/zinc/83/23/04/386832304.db2.gz HTYHMDGVWURDLU-UHFFFAOYSA-N 1 0 215.340 3.583 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357713793 388553823 /nfs/dbraw/zinc/55/38/23/388553823.db2.gz TZULZURTPCYGFP-UHFFFAOYSA-N 1 0 239.309 3.699 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1coc2ccccc12 ZINC000357718031 388552543 /nfs/dbraw/zinc/55/25/43/388552543.db2.gz SXFAMSSTMDSUJT-UHFFFAOYSA-N 1 0 239.265 3.568 20 0 BHADRO CC(F)(F)CC[NH2+]C1CCC(C)(C)CC1 ZINC000357719026 384683079 /nfs/dbraw/zinc/68/30/79/384683079.db2.gz YBVBKGDHJPUQDE-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)(F)F)cc1 ZINC000357719532 384683423 /nfs/dbraw/zinc/68/34/23/384683423.db2.gz ZWXWSOOWOSFCTN-UHFFFAOYSA-N 1 0 245.338 3.543 20 0 BHADRO CC(C)OCCC[N@H+](C)CC1CCC(C)CC1 ZINC000357723626 168151879 /nfs/dbraw/zinc/15/18/79/168151879.db2.gz AIDFMZYSSLXCKP-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(C)s1 ZINC000357727398 386835016 /nfs/dbraw/zinc/83/50/16/386835016.db2.gz HBGQIVQVIXJGAW-CMPLNLGQSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C)s1 ZINC000357727400 386834002 /nfs/dbraw/zinc/83/40/02/386834002.db2.gz HBGQIVQVIXJGAW-JQWIXIFHSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C)s1 ZINC000357727402 177989819 /nfs/dbraw/zinc/98/98/19/177989819.db2.gz HBGQIVQVIXJGAW-PWSUYJOCSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(C)s1 ZINC000357727404 386833252 /nfs/dbraw/zinc/83/32/52/386833252.db2.gz HBGQIVQVIXJGAW-ZYHUDNBSSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC3(C2)CCCCC3)n1 ZINC000357765910 179074461 /nfs/dbraw/zinc/07/44/61/179074461.db2.gz SYAGJESREDQQPO-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCCC(C)(C)CC1 ZINC000357778083 177045237 /nfs/dbraw/zinc/04/52/37/177045237.db2.gz GYXREDPOFVSVPJ-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCCC(C)(C)CC1 ZINC000357778084 176029163 /nfs/dbraw/zinc/02/91/63/176029163.db2.gz GYXREDPOFVSVPJ-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cc(C)ccc1OC ZINC000357779813 171347799 /nfs/dbraw/zinc/34/77/99/171347799.db2.gz SYNSKDYQXWMZOB-GXTWGEPZSA-N 1 0 235.371 3.843 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000357779814 171345879 /nfs/dbraw/zinc/34/58/79/171345879.db2.gz SYNSKDYQXWMZOB-JSGCOSHPSA-N 1 0 235.371 3.843 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000357779815 171544244 /nfs/dbraw/zinc/54/42/44/171544244.db2.gz SYNSKDYQXWMZOB-OCCSQVGLSA-N 1 0 235.371 3.843 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000357779816 170757871 /nfs/dbraw/zinc/75/78/71/170757871.db2.gz SYNSKDYQXWMZOB-TZMCWYRMSA-N 1 0 235.371 3.843 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cc(C)ccc1OC ZINC000357780898 386843137 /nfs/dbraw/zinc/84/31/37/386843137.db2.gz YXMOIJKYSKFIRG-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cc(C)ccc1OC ZINC000357780899 386843707 /nfs/dbraw/zinc/84/37/07/386843707.db2.gz YXMOIJKYSKFIRG-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@H]([NH2+]CC(C)C)c1cc(C)ccc1OC ZINC000357782299 386843792 /nfs/dbraw/zinc/84/37/92/386843792.db2.gz DRUYODQULPJVGW-AWEZNQCLSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@@H]([NH2+]CC(C)C)c1cc(C)ccc1OC ZINC000357782302 386844058 /nfs/dbraw/zinc/84/40/58/386844058.db2.gz DRUYODQULPJVGW-CQSZACIVSA-N 1 0 235.371 3.700 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cc(C)ccc1OC ZINC000357782346 386844099 /nfs/dbraw/zinc/84/40/99/386844099.db2.gz FFKCMTWDQSUVRE-HNNXBMFYSA-N 1 0 247.382 3.987 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cc(C)ccc1OC ZINC000357782348 386842626 /nfs/dbraw/zinc/84/26/26/386842626.db2.gz FFKCMTWDQSUVRE-OAHLLOKOSA-N 1 0 247.382 3.987 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000357803036 179500223 /nfs/dbraw/zinc/50/02/23/179500223.db2.gz ZUMXWLBEARGMQV-AOLWHUPESA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000357803041 384075661 /nfs/dbraw/zinc/07/56/61/384075661.db2.gz ZUMXWLBEARGMQV-ATVPRXPUSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000357803043 384074702 /nfs/dbraw/zinc/07/47/02/384074702.db2.gz ZUMXWLBEARGMQV-OEYIWLLWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000357803050 179501041 /nfs/dbraw/zinc/50/10/41/179501041.db2.gz ZUMXWLBEARGMQV-ZGMNHVEMSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1(C)CC1 ZINC000357805177 386848320 /nfs/dbraw/zinc/84/83/20/386848320.db2.gz XYWMJPYHPXHIAL-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1(C)CC1 ZINC000357805240 386849058 /nfs/dbraw/zinc/84/90/58/386849058.db2.gz XYWMJPYHPXHIAL-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO CC[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000357814496 386847570 /nfs/dbraw/zinc/84/75/70/386847570.db2.gz XLGXHJCKXPPQGS-UHFFFAOYSA-N 1 0 229.367 3.725 20 0 BHADRO CCC1(C)CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000357858053 168444972 /nfs/dbraw/zinc/44/49/72/168444972.db2.gz WLENZZQHPFKSPP-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C)CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000357858056 168444124 /nfs/dbraw/zinc/44/41/24/168444124.db2.gz WLENZZQHPFKSPP-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cccc(NCC2(c3ccccc3)CC2)[nH+]1 ZINC000357892191 179144321 /nfs/dbraw/zinc/14/43/21/179144321.db2.gz SLVXBKXNYKQOFY-UHFFFAOYSA-N 1 0 238.334 3.534 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000357989746 386876506 /nfs/dbraw/zinc/87/65/06/386876506.db2.gz HBBXLGXSKOBBPP-BFVZDQMLSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000357989758 386876520 /nfs/dbraw/zinc/87/65/20/386876520.db2.gz HBBXLGXSKOBBPP-BHDSKKPTSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000357989763 386875982 /nfs/dbraw/zinc/87/59/82/386875982.db2.gz HBBXLGXSKOBBPP-RBZYPMLTSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000357989767 386877063 /nfs/dbraw/zinc/87/70/63/386877063.db2.gz HBBXLGXSKOBBPP-RULNRJAQSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]CC1CCCC1)c1cccc(OC)c1 ZINC000357991938 386876912 /nfs/dbraw/zinc/87/69/12/386876912.db2.gz KCNCXIKPLBOJRQ-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCC1)c1cccc(OC)c1 ZINC000357991940 384498802 /nfs/dbraw/zinc/49/88/02/384498802.db2.gz KCNCXIKPLBOJRQ-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000358006044 386879820 /nfs/dbraw/zinc/87/98/20/386879820.db2.gz OVSRCLOJGVEBTR-AWEZNQCLSA-N 1 0 247.382 3.926 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000358006046 386879735 /nfs/dbraw/zinc/87/97/35/386879735.db2.gz OVSRCLOJGVEBTR-CQSZACIVSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000358008000 386878358 /nfs/dbraw/zinc/87/83/58/386878358.db2.gz AENKUXAAVZGJFF-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000358008002 386878893 /nfs/dbraw/zinc/87/88/93/386878893.db2.gz AENKUXAAVZGJFF-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000358008022 386879671 /nfs/dbraw/zinc/87/96/71/386879671.db2.gz ANDSHAYRHOEDHZ-BDJLRTHQSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000358008025 386879456 /nfs/dbraw/zinc/87/94/56/386879456.db2.gz ANDSHAYRHOEDHZ-BZNIZROVSA-N 1 0 241.334 3.611 20 0 BHADRO Cc1occc1C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000358008027 386878924 /nfs/dbraw/zinc/87/89/24/386878924.db2.gz ANDSHAYRHOEDHZ-MEDUHNTESA-N 1 0 241.334 3.611 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000358008030 386879778 /nfs/dbraw/zinc/87/97/78/386879778.db2.gz ANDSHAYRHOEDHZ-ZBEGNZNMSA-N 1 0 241.334 3.611 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000358009340 386879335 /nfs/dbraw/zinc/87/93/35/386879335.db2.gz VMQMZQZFFUTDJV-BFVZDQMLSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000358009342 386878659 /nfs/dbraw/zinc/87/86/59/386878659.db2.gz VMQMZQZFFUTDJV-BHDSKKPTSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000358009343 386879583 /nfs/dbraw/zinc/87/95/83/386879583.db2.gz VMQMZQZFFUTDJV-RBZYPMLTSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000358009345 386878594 /nfs/dbraw/zinc/87/85/94/386878594.db2.gz VMQMZQZFFUTDJV-RULNRJAQSA-N 1 0 239.309 3.662 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1C ZINC000358013201 386879760 /nfs/dbraw/zinc/87/97/60/386879760.db2.gz JFULIWZEKJBKHT-INIZCTEOSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1C ZINC000358013203 386878771 /nfs/dbraw/zinc/87/87/71/386878771.db2.gz JFULIWZEKJBKHT-MRXNPFEDSA-N 1 0 243.350 3.699 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(C)(C)C ZINC000358013819 386879522 /nfs/dbraw/zinc/87/95/22/386879522.db2.gz CHGMISNSGUTPPF-AWEZNQCLSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(C)(C)C ZINC000358013821 386878975 /nfs/dbraw/zinc/87/89/75/386878975.db2.gz CHGMISNSGUTPPF-CQSZACIVSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1cccc(OC)c1 ZINC000358014191 386878808 /nfs/dbraw/zinc/87/88/08/386878808.db2.gz KCVBYOZMKAUDEO-AWEZNQCLSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1cccc(OC)c1 ZINC000358014195 386878530 /nfs/dbraw/zinc/87/85/30/386878530.db2.gz KCVBYOZMKAUDEO-CQSZACIVSA-N 1 0 235.371 3.782 20 0 BHADRO CCOCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000358014356 711952166 /nfs/dbraw/zinc/95/21/66/711952166.db2.gz GCMQOBPZHYGGAP-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCOCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000358014357 711952240 /nfs/dbraw/zinc/95/22/40/711952240.db2.gz GCMQOBPZHYGGAP-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C)CCCO2 ZINC000358024540 384534215 /nfs/dbraw/zinc/53/42/15/384534215.db2.gz QXYLQFYSSQQDSY-AWEZNQCLSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C)CCCO2 ZINC000358024541 178954989 /nfs/dbraw/zinc/95/49/89/178954989.db2.gz QXYLQFYSSQQDSY-CQSZACIVSA-N 1 0 247.382 3.844 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000358024756 386881375 /nfs/dbraw/zinc/88/13/75/386881375.db2.gz ZHSAACJSESNNEB-MDZLAQPJSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358024758 176397327 /nfs/dbraw/zinc/39/73/27/176397327.db2.gz ZHSAACJSESNNEB-NQBHXWOUSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358024760 386881172 /nfs/dbraw/zinc/88/11/72/386881172.db2.gz ZHSAACJSESNNEB-NTZNESFSSA-N 1 0 233.355 3.539 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000358024762 176398073 /nfs/dbraw/zinc/39/80/73/176398073.db2.gz ZHSAACJSESNNEB-WZRBSPASSA-N 1 0 233.355 3.539 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000358026797 178228343 /nfs/dbraw/zinc/22/83/43/178228343.db2.gz VFEIKWGROFDHQS-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000358026805 178251491 /nfs/dbraw/zinc/25/14/91/178251491.db2.gz VFEIKWGROFDHQS-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO CSc1ccccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000358027792 175583099 /nfs/dbraw/zinc/58/30/99/175583099.db2.gz CUZZQZZJCPLLOB-RYUDHWBXSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000358027804 384531864 /nfs/dbraw/zinc/53/18/64/384531864.db2.gz CUZZQZZJCPLLOB-TXEJJXNPSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000358027813 384532035 /nfs/dbraw/zinc/53/20/35/384532035.db2.gz CUZZQZZJCPLLOB-VXGBXAGGSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000358027952 386881729 /nfs/dbraw/zinc/88/17/29/386881729.db2.gz DLLYTZGRCKRMTK-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO CSc1ccccc1C[N@H+]1CC=C(C)CC1 ZINC000358030250 386881494 /nfs/dbraw/zinc/88/14/94/386881494.db2.gz GKSZGGCAGZETQM-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CSc1ccccc1C[N@H+](C)CCC1CC1 ZINC000358035997 386883890 /nfs/dbraw/zinc/88/38/90/386883890.db2.gz ONUGTXPZEKCWNJ-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000358037559 386883518 /nfs/dbraw/zinc/88/35/18/386883518.db2.gz QWFWDRDSJXUNBS-NEPJUHHUSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000358037560 386883483 /nfs/dbraw/zinc/88/34/83/386883483.db2.gz QWFWDRDSJXUNBS-NWDGAFQWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000358037561 386883649 /nfs/dbraw/zinc/88/36/49/386883649.db2.gz QWFWDRDSJXUNBS-RYUDHWBXSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000358037562 386883366 /nfs/dbraw/zinc/88/33/66/386883366.db2.gz QWFWDRDSJXUNBS-VXGBXAGGSA-N 1 0 235.396 3.639 20 0 BHADRO CSCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000358037729 386884184 /nfs/dbraw/zinc/88/41/84/386884184.db2.gz MRZZVDNIRCNZSE-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO CSCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000358037732 386883560 /nfs/dbraw/zinc/88/35/60/386883560.db2.gz MRZZVDNIRCNZSE-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000358039478 386883043 /nfs/dbraw/zinc/88/30/43/386883043.db2.gz AJJLVKGHXDMIQK-GXTWGEPZSA-N 1 0 245.366 3.991 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000358039489 386884118 /nfs/dbraw/zinc/88/41/18/386884118.db2.gz AJJLVKGHXDMIQK-JSGCOSHPSA-N 1 0 245.366 3.991 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000358039491 188423244 /nfs/dbraw/zinc/42/32/44/188423244.db2.gz AJJLVKGHXDMIQK-OCCSQVGLSA-N 1 0 245.366 3.991 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000358039493 187214090 /nfs/dbraw/zinc/21/40/90/187214090.db2.gz AJJLVKGHXDMIQK-TZMCWYRMSA-N 1 0 245.366 3.991 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1SC ZINC000358042202 169129525 /nfs/dbraw/zinc/12/95/25/169129525.db2.gz YQFCFXAXJALHIJ-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO CSc1ccccc1C[N@H+](C(C)C)C1CC1 ZINC000358044333 386882742 /nfs/dbraw/zinc/88/27/42/386882742.db2.gz GBKHSDIMZKRUNY-UHFFFAOYSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000358047561 386883612 /nfs/dbraw/zinc/88/36/12/386883612.db2.gz KOIBLGYTRZDURN-GFCCVEGCSA-N 1 0 235.396 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000358047562 386883852 /nfs/dbraw/zinc/88/38/52/386883852.db2.gz KOIBLGYTRZDURN-LBPRGKRZSA-N 1 0 235.396 3.783 20 0 BHADRO CSc1ccccc1C[NH+]1CCC(C)CC1 ZINC000358049839 386886190 /nfs/dbraw/zinc/88/61/90/386886190.db2.gz OSVLTFINJCKQGS-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CC[N@H+](Cc1ccccc1SC)C(C)C ZINC000358053615 356859186 /nfs/dbraw/zinc/85/91/86/356859186.db2.gz VUSMNMGXIDYRNO-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc(OC)c1 ZINC000358054937 386885792 /nfs/dbraw/zinc/88/57/92/386885792.db2.gz ATTAYKZYWYFGBB-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(OC)c1 ZINC000358054938 356859483 /nfs/dbraw/zinc/85/94/83/356859483.db2.gz ATTAYKZYWYFGBB-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000358054939 386885050 /nfs/dbraw/zinc/88/50/50/386885050.db2.gz ATTAYKZYWYFGBB-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000358054940 356859469 /nfs/dbraw/zinc/85/94/69/356859469.db2.gz ATTAYKZYWYFGBB-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1SC ZINC000358055989 356859151 /nfs/dbraw/zinc/85/91/51/356859151.db2.gz BAGHDWZWMJVUBU-CYBMUJFWSA-N 1 0 235.396 3.783 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccccc1SC ZINC000358055990 386886671 /nfs/dbraw/zinc/88/66/71/386886671.db2.gz BAGHDWZWMJVUBU-ZDUSSCGKSA-N 1 0 235.396 3.783 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(OC)c1 ZINC000358056474 356859294 /nfs/dbraw/zinc/85/92/94/356859294.db2.gz DEBPYCZYGZPPMS-GDBMZVCRSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(OC)c1 ZINC000358056478 356859228 /nfs/dbraw/zinc/85/92/28/356859228.db2.gz DEBPYCZYGZPPMS-GOEBONIOSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(OC)c1 ZINC000358056480 384618387 /nfs/dbraw/zinc/61/83/87/384618387.db2.gz DEBPYCZYGZPPMS-HOCLYGCPSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(OC)c1 ZINC000358056492 171540178 /nfs/dbraw/zinc/54/01/78/171540178.db2.gz DEBPYCZYGZPPMS-ZBFHGGJFSA-N 1 0 245.366 3.845 20 0 BHADRO CC(C)Sc1ccc(C[NH+]2CCCC2)cc1 ZINC000358058167 167336599 /nfs/dbraw/zinc/33/65/99/167336599.db2.gz CHCUEMSHUYLMKB-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CCC[N@H+](Cc1ccccc1SC)C1CC1 ZINC000358059364 169179901 /nfs/dbraw/zinc/17/99/01/169179901.db2.gz DZMADAKRWMAEPM-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC12CCC2 ZINC000358061298 386886596 /nfs/dbraw/zinc/88/65/96/386886596.db2.gz HKEGDTATMYDLFW-UHFFFAOYSA-N 1 0 233.380 3.537 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCCC1(C)C ZINC000358061343 386886217 /nfs/dbraw/zinc/88/62/17/386886217.db2.gz HZDUJGRKVAPQTL-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000358063154 386885221 /nfs/dbraw/zinc/88/52/21/386885221.db2.gz JIRGFUDREPZQFK-GFCCVEGCSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000358063157 386885254 /nfs/dbraw/zinc/88/52/54/386885254.db2.gz JIRGFUDREPZQFK-LBPRGKRZSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccccc1C[N@H+](C)CC1CCC1 ZINC000358064170 386886159 /nfs/dbraw/zinc/88/61/59/386886159.db2.gz KZUWZBSKOHNCFC-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000358066302 386887847 /nfs/dbraw/zinc/88/78/47/386887847.db2.gz UGLFKDIRQMEPDG-CYBMUJFWSA-N 1 0 247.407 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000358066303 386888091 /nfs/dbraw/zinc/88/80/91/386888091.db2.gz UGLFKDIRQMEPDG-ZDUSSCGKSA-N 1 0 247.407 3.640 20 0 BHADRO CC[N@@H+](Cc1ccccc1SC)CC1CC1 ZINC000358066907 356859487 /nfs/dbraw/zinc/85/94/87/356859487.db2.gz OLPKQGLJWGZMBX-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC(C)(C)C1 ZINC000358069045 386888814 /nfs/dbraw/zinc/88/88/14/386888814.db2.gz RMQDEJNHWKHREA-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CC(C)Sc1ccc(C[N@H+](C)C2CC2)cc1 ZINC000358071253 167337601 /nfs/dbraw/zinc/33/76/01/167337601.db2.gz WWBPKVMMPKYRMW-UHFFFAOYSA-N 1 0 235.396 3.781 20 0 BHADRO CC[N@H+](Cc1ccccc1SC)C1CCC1 ZINC000358072682 356860723 /nfs/dbraw/zinc/86/07/23/356860723.db2.gz YVAJXXCHYNUMGA-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CCC[C@H]([NH2+]C1CCC1)c1ccc(OC)cc1 ZINC000358079637 169509674 /nfs/dbraw/zinc/50/96/74/169509674.db2.gz GZEBEPDJHIVXRL-HNNXBMFYSA-N 1 0 233.355 3.679 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC1)c1ccc(OC)cc1 ZINC000358079638 169399530 /nfs/dbraw/zinc/39/95/30/169399530.db2.gz GZEBEPDJHIVXRL-OAHLLOKOSA-N 1 0 233.355 3.679 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000358082868 386889343 /nfs/dbraw/zinc/88/93/43/386889343.db2.gz OBMPSTGKLQFLAB-HRDQMINSSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000358082869 386887862 /nfs/dbraw/zinc/88/78/62/386887862.db2.gz OBMPSTGKLQFLAB-QRMWWUJWSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCC1)CCCO2 ZINC000358087669 177883115 /nfs/dbraw/zinc/88/31/15/177883115.db2.gz XPXXBLRVEYAFRP-HNNXBMFYSA-N 1 0 245.366 3.659 20 0 BHADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCC1)CCCO2 ZINC000358087672 187214330 /nfs/dbraw/zinc/21/43/30/187214330.db2.gz XPXXBLRVEYAFRP-OAHLLOKOSA-N 1 0 245.366 3.659 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1cc(C)ccc1OC ZINC000358088389 386890118 /nfs/dbraw/zinc/89/01/18/386890118.db2.gz AQFWQBVIYRJVEM-AWEZNQCLSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1cc(C)ccc1OC ZINC000358088391 170889416 /nfs/dbraw/zinc/88/94/16/170889416.db2.gz AQFWQBVIYRJVEM-CQSZACIVSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC1)CCCO2 ZINC000358095504 178286437 /nfs/dbraw/zinc/28/64/37/178286437.db2.gz KVVYTMAVSMWYGN-HNNXBMFYSA-N 1 0 245.366 3.659 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC1)CCCO2 ZINC000358095513 178287701 /nfs/dbraw/zinc/28/77/01/178287701.db2.gz KVVYTMAVSMWYGN-OAHLLOKOSA-N 1 0 245.366 3.659 20 0 BHADRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000358129700 386896924 /nfs/dbraw/zinc/89/69/24/386896924.db2.gz MDZLDODIGLONBH-DOMZBBRYSA-N 1 0 247.382 3.707 20 0 BHADRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C(C)C ZINC000358129702 384686767 /nfs/dbraw/zinc/68/67/67/384686767.db2.gz MDZLDODIGLONBH-IUODEOHRSA-N 1 0 247.382 3.707 20 0 BHADRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000358129707 171869121 /nfs/dbraw/zinc/86/91/21/171869121.db2.gz MDZLDODIGLONBH-SWLSCSKDSA-N 1 0 247.382 3.707 20 0 BHADRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000358129710 384686795 /nfs/dbraw/zinc/68/67/95/384686795.db2.gz MDZLDODIGLONBH-WFASDCNBSA-N 1 0 247.382 3.707 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000358138966 188067347 /nfs/dbraw/zinc/06/73/47/188067347.db2.gz JUSWNIJCLGVXIO-GXTWGEPZSA-N 1 0 245.366 3.536 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000358138967 187214702 /nfs/dbraw/zinc/21/47/02/187214702.db2.gz JUSWNIJCLGVXIO-JSGCOSHPSA-N 1 0 245.366 3.536 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000358138968 356861391 /nfs/dbraw/zinc/86/13/91/356861391.db2.gz JUSWNIJCLGVXIO-OCCSQVGLSA-N 1 0 245.366 3.536 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000358138969 356861368 /nfs/dbraw/zinc/86/13/68/356861368.db2.gz JUSWNIJCLGVXIO-TZMCWYRMSA-N 1 0 245.366 3.536 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccccn1 ZINC000358145218 384698876 /nfs/dbraw/zinc/69/88/76/384698876.db2.gz ZFOLAYXTMXPZQN-CHWSQXEVSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccn1 ZINC000358145219 384698553 /nfs/dbraw/zinc/69/85/53/384698553.db2.gz ZFOLAYXTMXPZQN-OLZOCXBDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccn1 ZINC000358145220 384699089 /nfs/dbraw/zinc/69/90/89/384699089.db2.gz ZFOLAYXTMXPZQN-QWHCGFSZSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccn1 ZINC000358145221 384700025 /nfs/dbraw/zinc/70/00/25/384700025.db2.gz ZFOLAYXTMXPZQN-STQMWFEESA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000358148756 384696230 /nfs/dbraw/zinc/69/62/30/384696230.db2.gz GTUWFWCGTYJJQK-CVEARBPZSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000358148761 384697400 /nfs/dbraw/zinc/69/74/00/384697400.db2.gz GTUWFWCGTYJJQK-HOTGVXAUSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000358148764 170921064 /nfs/dbraw/zinc/92/10/64/170921064.db2.gz GTUWFWCGTYJJQK-HZPDHXFCSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(C)cc1 ZINC000358148766 171555948 /nfs/dbraw/zinc/55/59/48/171555948.db2.gz GTUWFWCGTYJJQK-JKSUJKDBSA-N 1 0 249.398 3.587 20 0 BHADRO CCC1(C[NH2+]Cc2ccncc2)CCCCC1 ZINC000358150417 386900979 /nfs/dbraw/zinc/90/09/79/386900979.db2.gz ADAAZDZXMHYBLD-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cccc(OC)c1 ZINC000358167139 538838546 /nfs/dbraw/zinc/83/85/46/538838546.db2.gz AGDVZZMKPUOITG-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cccc(OC)c1 ZINC000358167140 538838017 /nfs/dbraw/zinc/83/80/17/538838017.db2.gz AGDVZZMKPUOITG-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CCC1(C[NH2+]Cc2ccccn2)CCCCC1 ZINC000358168052 386904940 /nfs/dbraw/zinc/90/49/40/386904940.db2.gz PYFXLUVTVMNRRN-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO CCC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC000358169927 386905745 /nfs/dbraw/zinc/90/57/45/386905745.db2.gz ROWIUMQZUQKDCU-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@H](O)CC)c1ccccc1 ZINC000358170177 169510485 /nfs/dbraw/zinc/51/04/85/169510485.db2.gz QQLHAGHYQLCCKN-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@@H](O)CC)c1ccccc1 ZINC000358170178 388555071 /nfs/dbraw/zinc/55/50/71/388555071.db2.gz QQLHAGHYQLCCKN-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@H](O)CC)c1ccccc1 ZINC000358170179 169401292 /nfs/dbraw/zinc/40/12/92/169401292.db2.gz QQLHAGHYQLCCKN-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccccc1 ZINC000358170180 388554354 /nfs/dbraw/zinc/55/43/54/388554354.db2.gz QQLHAGHYQLCCKN-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)C1)c1ccc(OC)cc1 ZINC000358180703 169399699 /nfs/dbraw/zinc/39/96/99/169399699.db2.gz BGHDOPVEUMJCPX-LDZOIKDWSA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)C1)c1ccc(OC)cc1 ZINC000358180705 386909020 /nfs/dbraw/zinc/90/90/20/386909020.db2.gz BGHDOPVEUMJCPX-PXCJXSSVSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc2ccccc2n1 ZINC000358181557 384760273 /nfs/dbraw/zinc/76/02/73/384760273.db2.gz BJZZIQLXLIJSQG-GFCCVEGCSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1ccc2ccccc2n1 ZINC000358181560 384758929 /nfs/dbraw/zinc/75/89/29/384758929.db2.gz BJZZIQLXLIJSQG-LBPRGKRZSA-N 1 0 240.350 3.686 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cc(F)ccc1F ZINC000358183973 386908425 /nfs/dbraw/zinc/90/84/25/386908425.db2.gz FIWVIYQURIIXLJ-CYBMUJFWSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cc(F)ccc1F ZINC000358183974 386909846 /nfs/dbraw/zinc/90/98/46/386909846.db2.gz FIWVIYQURIIXLJ-ZDUSSCGKSA-N 1 0 239.309 3.806 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)C1)CCCO2 ZINC000358184812 178951318 /nfs/dbraw/zinc/95/13/18/178951318.db2.gz GOOUSSOFTAFHRJ-PIMMBPRGSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C)C1)CCCO2 ZINC000358184813 384759626 /nfs/dbraw/zinc/75/96/26/384759626.db2.gz GOOUSSOFTAFHRJ-SSDMNJCBSA-N 1 0 245.366 3.597 20 0 BHADRO CCC[C@H]([NH2+]CCC1CC1)c1ccc(OC)cc1 ZINC000358185347 538838978 /nfs/dbraw/zinc/83/89/78/538838978.db2.gz HEZOQJQZCGDLII-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CC1)c1ccc(OC)cc1 ZINC000358185348 538839087 /nfs/dbraw/zinc/83/90/87/538839087.db2.gz HEZOQJQZCGDLII-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cccc(OC)c1 ZINC000358188073 386910849 /nfs/dbraw/zinc/91/08/49/386910849.db2.gz KVCQCVKVPVAQMY-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccc(OC)c1 ZINC000358188075 386911630 /nfs/dbraw/zinc/91/16/30/386911630.db2.gz KVCQCVKVPVAQMY-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cc(F)ccc1F ZINC000358191347 386911036 /nfs/dbraw/zinc/91/10/36/386911036.db2.gz OXSCCSJRZUVEQB-AWEZNQCLSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cc(F)ccc1F ZINC000358191350 386910896 /nfs/dbraw/zinc/91/08/96/386910896.db2.gz OXSCCSJRZUVEQB-CQSZACIVSA-N 1 0 239.309 3.806 20 0 BHADRO CC1CC([NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000358191930 168147217 /nfs/dbraw/zinc/14/72/17/168147217.db2.gz PMNNDUHPCHZINC-GCZXYKMCSA-N 1 0 233.355 3.681 20 0 BHADRO CC1CC([NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000358191933 168148080 /nfs/dbraw/zinc/14/80/80/168148080.db2.gz PMNNDUHPCHZINC-XIVSLSHWSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1cc(C)ccc1OC ZINC000358192859 538839112 /nfs/dbraw/zinc/83/91/12/538839112.db2.gz QOZPEAKFQQYNMP-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1cc(C)ccc1OC ZINC000358192860 538839394 /nfs/dbraw/zinc/83/93/94/538839394.db2.gz QOZPEAKFQQYNMP-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccc(OC)c1 ZINC000358193144 386910690 /nfs/dbraw/zinc/91/06/90/386910690.db2.gz AFUIWNYANIUKAH-ABIUDSBCSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1cccc(OC)c1 ZINC000358193145 171515428 /nfs/dbraw/zinc/51/54/28/171515428.db2.gz AFUIWNYANIUKAH-HGMXIMQMSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000358194151 384778843 /nfs/dbraw/zinc/77/88/43/384778843.db2.gz BHQADOCNUBLXGQ-MRVPVSSYSA-N 1 0 243.272 3.555 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000358194155 384779760 /nfs/dbraw/zinc/77/97/60/384779760.db2.gz BHQADOCNUBLXGQ-QMMMGPOBSA-N 1 0 243.272 3.555 20 0 BHADRO CC[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1F ZINC000358194260 386911483 /nfs/dbraw/zinc/91/14/83/386911483.db2.gz BRKQGJIWGOHDBC-AWEZNQCLSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1F ZINC000358194264 386911535 /nfs/dbraw/zinc/91/15/35/386911535.db2.gz BRKQGJIWGOHDBC-CQSZACIVSA-N 1 0 239.309 3.806 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC1)CCC2 ZINC000358195278 386911961 /nfs/dbraw/zinc/91/19/61/386911961.db2.gz CSBLINYQVNSKTP-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC1)CCC2 ZINC000358195279 386911410 /nfs/dbraw/zinc/91/14/10/386911410.db2.gz CSBLINYQVNSKTP-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)CCC2 ZINC000358196569 538839142 /nfs/dbraw/zinc/83/91/42/538839142.db2.gz WNUITSNDNPCSGQ-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)CCC2 ZINC000358196571 538839353 /nfs/dbraw/zinc/83/93/53/538839353.db2.gz WNUITSNDNPCSGQ-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000358198688 171298600 /nfs/dbraw/zinc/29/86/00/171298600.db2.gz HEZVDOVESMLYCW-FPMFFAJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000358198691 171295852 /nfs/dbraw/zinc/29/58/52/171295852.db2.gz HEZVDOVESMLYCW-IACUBPJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000358198694 171298298 /nfs/dbraw/zinc/29/82/98/171298298.db2.gz HEZVDOVESMLYCW-UBHSHLNASA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000358198697 171295037 /nfs/dbraw/zinc/29/50/37/171295037.db2.gz HEZVDOVESMLYCW-YUTCNCBUSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1cc(C)ccc1OC ZINC000358198841 386913927 /nfs/dbraw/zinc/91/39/27/386913927.db2.gz ZHMUPKNESPWHHS-AWEZNQCLSA-N 1 0 247.382 3.844 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1cc(C)ccc1OC ZINC000358198844 386912661 /nfs/dbraw/zinc/91/26/61/386912661.db2.gz ZHMUPKNESPWHHS-CQSZACIVSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC(C)C1 ZINC000358199000 178948794 /nfs/dbraw/zinc/94/87/94/178948794.db2.gz ZZLIASQAIMUHDK-PIMMBPRGSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC(C)C1 ZINC000358199002 178948721 /nfs/dbraw/zinc/94/87/21/178948721.db2.gz ZZLIASQAIMUHDK-SSDMNJCBSA-N 1 0 245.366 3.597 20 0 BHADRO CC1(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000358201351 386913272 /nfs/dbraw/zinc/91/32/72/386913272.db2.gz KJJJHCWSLOBBGN-GFCCVEGCSA-N 1 0 233.355 3.683 20 0 BHADRO CC1(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000358201352 191975896 /nfs/dbraw/zinc/97/58/96/191975896.db2.gz KJJJHCWSLOBBGN-LBPRGKRZSA-N 1 0 233.355 3.683 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1F ZINC000358202102 386913772 /nfs/dbraw/zinc/91/37/72/386913772.db2.gz MBCPAEFGHQWVGU-CYBMUJFWSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1F ZINC000358202103 386912563 /nfs/dbraw/zinc/91/25/63/386912563.db2.gz MBCPAEFGHQWVGU-ZDUSSCGKSA-N 1 0 239.309 3.806 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(C)CC1 ZINC000358202768 386913568 /nfs/dbraw/zinc/91/35/68/386913568.db2.gz NCRMKOXTSAZTRU-AWEZNQCLSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(C)CC1 ZINC000358203263 386913289 /nfs/dbraw/zinc/91/32/89/386913289.db2.gz NCRMKOXTSAZTRU-CQSZACIVSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000358203870 179223959 /nfs/dbraw/zinc/22/39/59/179223959.db2.gz OPWBZQRLOAUYRH-BZPMIXESSA-N 1 0 247.407 3.638 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCSC1 ZINC000358203872 179224254 /nfs/dbraw/zinc/22/42/54/179224254.db2.gz OPWBZQRLOAUYRH-DYEKYZERSA-N 1 0 247.407 3.638 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCSC1 ZINC000358203885 179224533 /nfs/dbraw/zinc/22/45/33/179224533.db2.gz OPWBZQRLOAUYRH-MBNYWOFBSA-N 1 0 247.407 3.638 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCSC1 ZINC000358203887 179223686 /nfs/dbraw/zinc/22/36/86/179223686.db2.gz OPWBZQRLOAUYRH-YRGRVCCFSA-N 1 0 247.407 3.638 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)C1)c1cc(C)ccc1OC ZINC000358204531 386913101 /nfs/dbraw/zinc/91/31/01/386913101.db2.gz PFVYLCKQCCINNS-PIMMBPRGSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)C1)c1cc(C)ccc1OC ZINC000358204532 386914221 /nfs/dbraw/zinc/91/42/21/386914221.db2.gz PFVYLCKQCCINNS-SSDMNJCBSA-N 1 0 247.382 3.843 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1(C)CC1)c1ccccn1 ZINC000358205052 386912689 /nfs/dbraw/zinc/91/26/89/386912689.db2.gz QNWDCPHLZVNRBM-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1(C)CC1)c1ccccn1 ZINC000358205054 188067473 /nfs/dbraw/zinc/06/74/73/188067473.db2.gz QNWDCPHLZVNRBM-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]CCC2CC2)C1 ZINC000358206965 538839098 /nfs/dbraw/zinc/83/90/98/538839098.db2.gz SZFVYASBDZVVSJ-CYBMUJFWSA-N 1 0 233.355 3.683 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]CCC2CC2)C1 ZINC000358206966 538839462 /nfs/dbraw/zinc/83/94/62/538839462.db2.gz SZFVYASBDZVVSJ-ZDUSSCGKSA-N 1 0 233.355 3.683 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC1)CCCO2 ZINC000358208504 386913443 /nfs/dbraw/zinc/91/34/43/386913443.db2.gz VHMFPNYBFOSBKR-AWEZNQCLSA-N 1 0 245.366 3.598 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC1)CCCO2 ZINC000358208505 178954784 /nfs/dbraw/zinc/95/47/84/178954784.db2.gz VHMFPNYBFOSBKR-CQSZACIVSA-N 1 0 245.366 3.598 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CC1)c1ccc(OC)cc1 ZINC000358208631 386914142 /nfs/dbraw/zinc/91/41/42/386914142.db2.gz WLZVWSXAQSHDCA-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CC1)c1ccc(OC)cc1 ZINC000358208632 169399981 /nfs/dbraw/zinc/39/99/81/169399981.db2.gz WLZVWSXAQSHDCA-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(C)CC1 ZINC000358208633 179223224 /nfs/dbraw/zinc/22/32/24/179223224.db2.gz WMRTUNSGZBQPKH-GXTWGEPZSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(C)CC1 ZINC000358208634 179221867 /nfs/dbraw/zinc/22/18/67/179221867.db2.gz WMRTUNSGZBQPKH-JSGCOSHPSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(C)CC1 ZINC000358208635 179223545 /nfs/dbraw/zinc/22/35/45/179223545.db2.gz WMRTUNSGZBQPKH-OCCSQVGLSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(C)CC1 ZINC000358208636 179224473 /nfs/dbraw/zinc/22/44/73/179224473.db2.gz WMRTUNSGZBQPKH-TZMCWYRMSA-N 1 0 229.367 3.933 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cccc(OC)c1 ZINC000358214364 171518602 /nfs/dbraw/zinc/51/86/02/171518602.db2.gz CBXLQTQWJBZONB-HNNXBMFYSA-N 1 0 233.355 3.536 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cccc(OC)c1 ZINC000358214365 386914070 /nfs/dbraw/zinc/91/40/70/386914070.db2.gz CBXLQTQWJBZONB-OAHLLOKOSA-N 1 0 233.355 3.536 20 0 BHADRO CCC[C@H]([NH2+]CC1CCC1)c1ccc(OC)cc1 ZINC000358220569 386915816 /nfs/dbraw/zinc/91/58/16/386915816.db2.gz LLMUIUHZWXGVRJ-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCC1)c1ccc(OC)cc1 ZINC000358220574 169399846 /nfs/dbraw/zinc/39/98/46/169399846.db2.gz LLMUIUHZWXGVRJ-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1cc(F)ccc1F ZINC000358223686 386915963 /nfs/dbraw/zinc/91/59/63/386915963.db2.gz OZNSTKRDWIOZLG-AWEZNQCLSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1cc(F)ccc1F ZINC000358223688 386915593 /nfs/dbraw/zinc/91/55/93/386915593.db2.gz OZNSTKRDWIOZLG-CQSZACIVSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1F ZINC000358223948 386915422 /nfs/dbraw/zinc/91/54/22/386915422.db2.gz PZIUHNAHCSUIQH-AWEZNQCLSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1F ZINC000358223949 386915288 /nfs/dbraw/zinc/91/52/88/386915288.db2.gz PZIUHNAHCSUIQH-CQSZACIVSA-N 1 0 239.309 3.806 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]CC2CCC2)C1 ZINC000358224519 386914804 /nfs/dbraw/zinc/91/48/04/386914804.db2.gz RAUTYLCSMYLOBK-CYBMUJFWSA-N 1 0 233.355 3.683 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]CC2CCC2)C1 ZINC000358224520 188240908 /nfs/dbraw/zinc/24/09/08/188240908.db2.gz RAUTYLCSMYLOBK-ZDUSSCGKSA-N 1 0 233.355 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000358238018 170913805 /nfs/dbraw/zinc/91/38/05/170913805.db2.gz CUCSUPATKYDSDK-CVEARBPZSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000358238035 171548983 /nfs/dbraw/zinc/54/89/83/171548983.db2.gz CUCSUPATKYDSDK-HOTGVXAUSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000358238037 356863641 /nfs/dbraw/zinc/86/36/41/356863641.db2.gz CUCSUPATKYDSDK-HZPDHXFCSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000358238039 386916878 /nfs/dbraw/zinc/91/68/78/386916878.db2.gz CUCSUPATKYDSDK-JKSUJKDBSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)CCC[C@@H]([NH2+]C[C@@H](C)O)c1ccccc1 ZINC000358238995 386916842 /nfs/dbraw/zinc/91/68/42/386916842.db2.gz GPIYXZDJWLHLNS-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000358238996 386917734 /nfs/dbraw/zinc/91/77/34/386917734.db2.gz GPIYXZDJWLHLNS-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000358238997 166825027 /nfs/dbraw/zinc/82/50/27/166825027.db2.gz GPIYXZDJWLHLNS-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H]([NH2+]C[C@@H](C)O)c1ccccc1 ZINC000358238998 166824215 /nfs/dbraw/zinc/82/42/15/166824215.db2.gz GPIYXZDJWLHLNS-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1(C)CC1 ZINC000358251818 386920301 /nfs/dbraw/zinc/92/03/01/386920301.db2.gz RORAYTOMYBVREP-ABAIWWIYSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1(C)CC1 ZINC000358251819 386919960 /nfs/dbraw/zinc/91/99/60/386919960.db2.gz RORAYTOMYBVREP-IAQYHMDHSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1(C)CC1 ZINC000358251821 176922338 /nfs/dbraw/zinc/92/23/38/176922338.db2.gz RORAYTOMYBVREP-NHYWBVRUSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1(C)CC1 ZINC000358251822 176897723 /nfs/dbraw/zinc/89/77/23/176897723.db2.gz RORAYTOMYBVREP-XHDPSFHLSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCC1 ZINC000358269336 386923055 /nfs/dbraw/zinc/92/30/55/386923055.db2.gz UQOXPEABVJIHEA-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCC1 ZINC000358269338 175926125 /nfs/dbraw/zinc/92/61/25/175926125.db2.gz UQOXPEABVJIHEA-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCC1 ZINC000358269342 384879213 /nfs/dbraw/zinc/87/92/13/384879213.db2.gz UQOXPEABVJIHEA-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCC1 ZINC000358269347 384878785 /nfs/dbraw/zinc/87/87/85/384878785.db2.gz UQOXPEABVJIHEA-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000358272366 386926026 /nfs/dbraw/zinc/92/60/26/386926026.db2.gz ZPEZLCVDGDKMRJ-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000358272367 168600965 /nfs/dbraw/zinc/60/09/65/168600965.db2.gz ZPEZLCVDGDKMRJ-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(OC)cc1 ZINC000358287082 356866004 /nfs/dbraw/zinc/86/60/04/356866004.db2.gz ILALOJPMSYJJOJ-GDBMZVCRSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(OC)cc1 ZINC000358287083 170913003 /nfs/dbraw/zinc/91/30/03/170913003.db2.gz ILALOJPMSYJJOJ-GOEBONIOSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(OC)cc1 ZINC000358287084 386927375 /nfs/dbraw/zinc/92/73/75/386927375.db2.gz ILALOJPMSYJJOJ-HOCLYGCPSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(OC)cc1 ZINC000358287086 386927565 /nfs/dbraw/zinc/92/75/65/386927565.db2.gz ILALOJPMSYJJOJ-ZBFHGGJFSA-N 1 0 245.366 3.845 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000358301297 386931145 /nfs/dbraw/zinc/93/11/45/386931145.db2.gz QKDIZZBVATVALT-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000358301298 386931212 /nfs/dbraw/zinc/93/12/12/386931212.db2.gz QKDIZZBVATVALT-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000358301299 386930674 /nfs/dbraw/zinc/93/06/74/386930674.db2.gz QKDIZZBVATVALT-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000358301300 386930375 /nfs/dbraw/zinc/93/03/75/386930375.db2.gz QKDIZZBVATVALT-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000358304471 386931442 /nfs/dbraw/zinc/93/14/42/386931442.db2.gz XPKNJDWMWWHMSS-FEWQNLEASA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000358304473 386930886 /nfs/dbraw/zinc/93/08/86/386930886.db2.gz XPKNJDWMWWHMSS-FGZQJIAISA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000358304474 386931079 /nfs/dbraw/zinc/93/10/79/386931079.db2.gz XPKNJDWMWWHMSS-JLVJUDLZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000358304476 386930045 /nfs/dbraw/zinc/93/00/45/386930045.db2.gz XPKNJDWMWWHMSS-LQULJDIASA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H](C)C1CCC1)OC ZINC000358338282 168405359 /nfs/dbraw/zinc/40/53/59/168405359.db2.gz GWLWSSJNNIDKKD-DOMZBBRYSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H](C)C1CCC1)OC ZINC000358338285 168399437 /nfs/dbraw/zinc/39/94/37/168399437.db2.gz GWLWSSJNNIDKKD-IUODEOHRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)C1CCC1)OC ZINC000358338289 384997106 /nfs/dbraw/zinc/99/71/06/384997106.db2.gz GWLWSSJNNIDKKD-SWLSCSKDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H](C)C1CCC1)OC ZINC000358338292 384998359 /nfs/dbraw/zinc/99/83/59/384998359.db2.gz GWLWSSJNNIDKKD-WFASDCNBSA-N 1 0 241.419 3.606 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000358339681 175563959 /nfs/dbraw/zinc/56/39/59/175563959.db2.gz JRUKYMQEIXBVLP-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000358339682 175564294 /nfs/dbraw/zinc/56/42/94/175564294.db2.gz JRUKYMQEIXBVLP-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000358339683 386937544 /nfs/dbraw/zinc/93/75/44/386937544.db2.gz JRUKYMQEIXBVLP-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000358339684 386936368 /nfs/dbraw/zinc/93/63/68/386936368.db2.gz JRUKYMQEIXBVLP-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)C1(C)CC1)OC ZINC000358340948 168399526 /nfs/dbraw/zinc/39/95/26/168399526.db2.gz NCLGWWVNASKEAY-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H](C)C1(C)CC1)OC ZINC000358340949 386936787 /nfs/dbraw/zinc/93/67/87/386936787.db2.gz NCLGWWVNASKEAY-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H](C)C1(C)CC1)OC ZINC000358340951 386932794 /nfs/dbraw/zinc/93/27/94/386932794.db2.gz NCLGWWVNASKEAY-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H](C)C1(C)CC1)OC ZINC000358340953 168399202 /nfs/dbraw/zinc/39/92/02/168399202.db2.gz NCLGWWVNASKEAY-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO CC1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000358350093 168165364 /nfs/dbraw/zinc/16/53/64/168165364.db2.gz FIIQHRCMSGBVDT-MOQPWLNLSA-N 1 0 244.382 3.701 20 0 BHADRO CC1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000358350094 168164143 /nfs/dbraw/zinc/16/41/43/168164143.db2.gz FIIQHRCMSGBVDT-VDSRIPIWSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358354432 171391231 /nfs/dbraw/zinc/39/12/31/171391231.db2.gz LKEJWLNVYBJFFA-HUBLWGQQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358354434 171390484 /nfs/dbraw/zinc/39/04/84/171390484.db2.gz LKEJWLNVYBJFFA-SLEUVZQESA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358354436 171366777 /nfs/dbraw/zinc/36/67/77/171366777.db2.gz LKEJWLNVYBJFFA-YWPYICTPSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358354438 171366238 /nfs/dbraw/zinc/36/62/38/171366238.db2.gz LKEJWLNVYBJFFA-ZOWXZIJZSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC23CCC(CC2)C3)o1 ZINC000358364018 191069546 /nfs/dbraw/zinc/06/95/46/191069546.db2.gz FUDALJLSVNCDIR-DNOWBOINSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC23CCC(CC2)C3)o1 ZINC000358364021 178888971 /nfs/dbraw/zinc/88/89/71/178888971.db2.gz FUDALJLSVNCDIR-OPFPJEHXSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000358364294 386941300 /nfs/dbraw/zinc/94/13/00/386941300.db2.gz HYVWMKBXNOKHPY-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000358364295 179672192 /nfs/dbraw/zinc/67/21/92/179672192.db2.gz HYVWMKBXNOKHPY-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C1CCCC1 ZINC000358368760 176891735 /nfs/dbraw/zinc/89/17/35/176891735.db2.gz PNACAQCWHXMKOW-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C1CCCC1 ZINC000358368761 386943408 /nfs/dbraw/zinc/94/34/08/386943408.db2.gz PNACAQCWHXMKOW-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C1CCCC1 ZINC000358368762 386943865 /nfs/dbraw/zinc/94/38/65/386943865.db2.gz PNACAQCWHXMKOW-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C1CCCC1 ZINC000358368763 386943092 /nfs/dbraw/zinc/94/30/92/386943092.db2.gz PNACAQCWHXMKOW-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000358369370 171115629 /nfs/dbraw/zinc/11/56/29/171115629.db2.gz QXWZJTWENMNHNB-APHBMKBZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000358369826 171125800 /nfs/dbraw/zinc/12/58/00/171125800.db2.gz QXWZJTWENMNHNB-DAXOMENPSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000358369827 171115167 /nfs/dbraw/zinc/11/51/67/171115167.db2.gz QXWZJTWENMNHNB-MAZHCROVSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000358369828 171126187 /nfs/dbraw/zinc/12/61/87/171126187.db2.gz QXWZJTWENMNHNB-WQVCFCJDSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000358374717 176124495 /nfs/dbraw/zinc/12/44/95/176124495.db2.gz OYOITAUNDAOBJX-DAXOMENPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000358374718 176145015 /nfs/dbraw/zinc/14/50/15/176145015.db2.gz OYOITAUNDAOBJX-KCXAZCMYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000358374719 176144552 /nfs/dbraw/zinc/14/45/52/176144552.db2.gz OYOITAUNDAOBJX-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000358374720 176124081 /nfs/dbraw/zinc/12/40/81/176124081.db2.gz OYOITAUNDAOBJX-WQVCFCJDSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375670 176088207 /nfs/dbraw/zinc/08/82/07/176088207.db2.gz HDXAVPQFUNBVDQ-DAXOMENPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375671 176082121 /nfs/dbraw/zinc/08/21/21/176082121.db2.gz HDXAVPQFUNBVDQ-KCXAZCMYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375672 176081529 /nfs/dbraw/zinc/08/15/29/176081529.db2.gz HDXAVPQFUNBVDQ-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375673 176089328 /nfs/dbraw/zinc/08/93/28/176089328.db2.gz HDXAVPQFUNBVDQ-WQVCFCJDSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375774 386944820 /nfs/dbraw/zinc/94/48/20/386944820.db2.gz HMMREWQZFYVVAB-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375782 188240862 /nfs/dbraw/zinc/24/08/62/188240862.db2.gz HMMREWQZFYVVAB-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375785 386945004 /nfs/dbraw/zinc/94/50/04/386945004.db2.gz HMMREWQZFYVVAB-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375787 187379516 /nfs/dbraw/zinc/37/95/16/187379516.db2.gz HMMREWQZFYVVAB-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000358375880 386945724 /nfs/dbraw/zinc/94/57/24/386945724.db2.gz QONWPQADKZMKPN-HLIUYOAVSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000358375882 386944757 /nfs/dbraw/zinc/94/47/57/386944757.db2.gz QONWPQADKZMKPN-VQCLRJIVSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)C2C(C)(C)C2(C)C)c1 ZINC000358379259 386945875 /nfs/dbraw/zinc/94/58/75/386945875.db2.gz WCNPHNUXCCRZFI-GFCCVEGCSA-N 1 0 246.398 3.550 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)c1 ZINC000358379263 386945316 /nfs/dbraw/zinc/94/53/16/386945316.db2.gz WCNPHNUXCCRZFI-LBPRGKRZSA-N 1 0 246.398 3.550 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358379654 386944963 /nfs/dbraw/zinc/94/49/63/386944963.db2.gz KOXPHZIBSAIBLO-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358379656 386945509 /nfs/dbraw/zinc/94/55/09/386945509.db2.gz KOXPHZIBSAIBLO-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1c(C)noc1C ZINC000358381031 170913604 /nfs/dbraw/zinc/91/36/04/170913604.db2.gz YMKKLIBHHGDGPP-CHWSQXEVSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1c(C)noc1C)C1CC1 ZINC000358381032 386944833 /nfs/dbraw/zinc/94/48/33/386944833.db2.gz YMKKLIBHHGDGPP-OLZOCXBDSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1c(C)noc1C ZINC000358381033 171546699 /nfs/dbraw/zinc/54/66/99/171546699.db2.gz YMKKLIBHHGDGPP-QWHCGFSZSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1c(C)noc1C ZINC000358381034 386945821 /nfs/dbraw/zinc/94/58/21/386945821.db2.gz YMKKLIBHHGDGPP-STQMWFEESA-N 1 0 236.359 3.521 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000358388909 386947262 /nfs/dbraw/zinc/94/72/62/386947262.db2.gz VZULDEPIPRMVMC-AWEZNQCLSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000358388911 386947553 /nfs/dbraw/zinc/94/75/53/386947553.db2.gz VZULDEPIPRMVMC-CQSZACIVSA-N 1 0 232.371 3.615 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1cccc(OC)c1 ZINC000358390441 386947151 /nfs/dbraw/zinc/94/71/51/386947151.db2.gz DJNRCCIGEJCXHE-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1cccc(OC)c1 ZINC000358390443 386947184 /nfs/dbraw/zinc/94/71/84/386947184.db2.gz DJNRCCIGEJCXHE-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1cccc(OC)c1 ZINC000358390636 171517632 /nfs/dbraw/zinc/51/76/32/171517632.db2.gz DVQZIOSXJJEMCC-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1cccc(OC)c1 ZINC000358390638 386948147 /nfs/dbraw/zinc/94/81/47/386948147.db2.gz DVQZIOSXJJEMCC-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000358392861 538842421 /nfs/dbraw/zinc/84/24/21/538842421.db2.gz ZDQOYJCAZNELCQ-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000358392865 538842461 /nfs/dbraw/zinc/84/24/61/538842461.db2.gz ZDQOYJCAZNELCQ-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000358397631 386946975 /nfs/dbraw/zinc/94/69/75/386946975.db2.gz JYBQAXJUZLBXQF-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000358397633 386947046 /nfs/dbraw/zinc/94/70/46/386947046.db2.gz JYBQAXJUZLBXQF-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO CC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC1 ZINC000358403204 538842828 /nfs/dbraw/zinc/84/28/28/538842828.db2.gz OCDKQBKLSTYBQC-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000358403205 538842750 /nfs/dbraw/zinc/84/27/50/538842750.db2.gz OCDKQBKLSTYBQC-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000358403833 386950739 /nfs/dbraw/zinc/95/07/39/386950739.db2.gz PPUPPPULZSHAIG-AWEZNQCLSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000358403834 386950804 /nfs/dbraw/zinc/95/08/04/386950804.db2.gz PPUPPPULZSHAIG-CQSZACIVSA-N 1 0 246.398 3.867 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1N(C)C ZINC000358408060 386952077 /nfs/dbraw/zinc/95/20/77/386952077.db2.gz ULSVYIQPUPMEEJ-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccccc1N(C)C ZINC000358408061 176835306 /nfs/dbraw/zinc/83/53/06/176835306.db2.gz ULSVYIQPUPMEEJ-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@@H](CSCc1ccccc1Cl)[NH+](C)C ZINC000358506153 385260684 /nfs/dbraw/zinc/26/06/84/385260684.db2.gz BQMRVDUDFRRRTG-JTQLQIEISA-N 1 0 243.803 3.523 20 0 BHADRO C[C@H](CSCc1ccccc1Cl)[NH+](C)C ZINC000358506161 385260701 /nfs/dbraw/zinc/26/07/01/385260701.db2.gz BQMRVDUDFRRRTG-SNVBAGLBSA-N 1 0 243.803 3.523 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000358515593 356870379 /nfs/dbraw/zinc/87/03/79/356870379.db2.gz ZMVBPILAVWFPMB-KBPBESRZSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000358515594 356870559 /nfs/dbraw/zinc/87/05/59/356870559.db2.gz ZMVBPILAVWFPMB-KGLIPLIRSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000358515595 356870412 /nfs/dbraw/zinc/87/04/12/356870412.db2.gz ZMVBPILAVWFPMB-UONOGXRCSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000358515596 356870477 /nfs/dbraw/zinc/87/04/77/356870477.db2.gz ZMVBPILAVWFPMB-ZIAGYGMSSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000358515605 171927435 /nfs/dbraw/zinc/92/74/35/171927435.db2.gz ZQUFIOGZWOBKKW-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]Cc1cccs1 ZINC000358515606 356870448 /nfs/dbraw/zinc/87/04/48/356870448.db2.gz ZQUFIOGZWOBKKW-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000358515714 356869965 /nfs/dbraw/zinc/86/99/65/356869965.db2.gz NHTBBUBQCVMVRY-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000358515715 356870667 /nfs/dbraw/zinc/87/06/67/356870667.db2.gz NHTBBUBQCVMVRY-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CC[N@@H+](Cc1cc(C)sc1C)CC(C)C ZINC000358585455 356871985 /nfs/dbraw/zinc/87/19/85/356871985.db2.gz GXCDOEYXHLVQAA-UHFFFAOYSA-N 1 0 225.401 3.843 20 0 BHADRO CC(C)[NH+](CCSCCC1CC1)C(C)C ZINC000358791565 188240320 /nfs/dbraw/zinc/24/03/20/188240320.db2.gz PSDKNVGVYPAGQV-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO Cc1ccnc(N(Cc2ccccc2)C2CC2)c1 ZINC000358837208 384187832 /nfs/dbraw/zinc/18/78/32/384187832.db2.gz HFMFDBPUTXQBDC-UHFFFAOYSA-N 1 0 238.334 3.559 20 0 BHADRO C[C@@H](CSCc1ccc(Cl)cc1)[NH+](C)C ZINC000358849907 387023530 /nfs/dbraw/zinc/02/35/30/387023530.db2.gz FCSVVYOWSUVFNH-JTQLQIEISA-N 1 0 243.803 3.523 20 0 BHADRO C[C@H](CSCc1ccc(Cl)cc1)[NH+](C)C ZINC000358849908 387023378 /nfs/dbraw/zinc/02/33/78/387023378.db2.gz FCSVVYOWSUVFNH-SNVBAGLBSA-N 1 0 243.803 3.523 20 0 BHADRO C[C@H](CS[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000358862145 176008449 /nfs/dbraw/zinc/00/84/49/176008449.db2.gz HNXCBPAEKGDHSA-GHMZBOCLSA-N 1 0 241.375 3.570 20 0 BHADRO C[C@H](CS[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000358862147 177026840 /nfs/dbraw/zinc/02/68/40/177026840.db2.gz HNXCBPAEKGDHSA-MNOVXSKESA-N 1 0 241.375 3.570 20 0 BHADRO C[C@@H](CS[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000358862150 177027437 /nfs/dbraw/zinc/02/74/37/177027437.db2.gz HNXCBPAEKGDHSA-QWRGUYRKSA-N 1 0 241.375 3.570 20 0 BHADRO C[C@@H](SC[C@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000358862152 387025792 /nfs/dbraw/zinc/02/57/92/387025792.db2.gz HNXCBPAEKGDHSA-WDEREUQCSA-N 1 0 241.375 3.570 20 0 BHADRO C[C@@H](CSCc1cccc(Cl)c1)[NH+](C)C ZINC000358883075 387028661 /nfs/dbraw/zinc/02/86/61/387028661.db2.gz MDBIZCUVUYJBJA-JTQLQIEISA-N 1 0 243.803 3.523 20 0 BHADRO C[C@H](CSCc1cccc(Cl)c1)[NH+](C)C ZINC000358883077 387029425 /nfs/dbraw/zinc/02/94/25/387029425.db2.gz MDBIZCUVUYJBJA-SNVBAGLBSA-N 1 0 243.803 3.523 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000358886748 187215118 /nfs/dbraw/zinc/21/51/18/187215118.db2.gz MUZYFZATLHLXAK-HNNXBMFYSA-N 1 0 245.366 3.846 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000358886749 187215815 /nfs/dbraw/zinc/21/58/15/187215815.db2.gz MUZYFZATLHLXAK-OAHLLOKOSA-N 1 0 245.366 3.846 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000358887387 387028892 /nfs/dbraw/zinc/02/88/92/387028892.db2.gz OPBUZLZYEBAYQH-HNNXBMFYSA-N 1 0 245.366 3.765 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000358887390 187215614 /nfs/dbraw/zinc/21/56/14/187215614.db2.gz OPBUZLZYEBAYQH-OAHLLOKOSA-N 1 0 245.366 3.765 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000358888050 387029203 /nfs/dbraw/zinc/02/92/03/387029203.db2.gz QMIAXYRSFCVZKJ-HNNXBMFYSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000358888053 188068632 /nfs/dbraw/zinc/06/86/32/188068632.db2.gz QMIAXYRSFCVZKJ-OAHLLOKOSA-N 1 0 233.330 3.759 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1cccc(OC)c1 ZINC000358890473 387029442 /nfs/dbraw/zinc/02/94/42/387029442.db2.gz XIZZBVOKTIPIKM-HNNXBMFYSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1cccc(OC)c1 ZINC000358890474 387028959 /nfs/dbraw/zinc/02/89/59/387028959.db2.gz XIZZBVOKTIPIKM-OAHLLOKOSA-N 1 0 233.355 3.702 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000358890513 387029056 /nfs/dbraw/zinc/02/90/56/387029056.db2.gz XYJYNJMKUALQBQ-HNNXBMFYSA-N 1 0 245.366 3.765 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000358890514 387028524 /nfs/dbraw/zinc/02/85/24/387028524.db2.gz XYJYNJMKUALQBQ-OAHLLOKOSA-N 1 0 245.366 3.765 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000358896739 188068389 /nfs/dbraw/zinc/06/83/89/188068389.db2.gz CYFUUHFHKBKPEK-HNNXBMFYSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000358896741 387029152 /nfs/dbraw/zinc/02/91/52/387029152.db2.gz CYFUUHFHKBKPEK-OAHLLOKOSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358896797 387029764 /nfs/dbraw/zinc/02/97/64/387029764.db2.gz DBYHWVYQNLFPLR-CYBMUJFWSA-N 1 0 233.355 3.849 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000358896800 188068465 /nfs/dbraw/zinc/06/84/65/188068465.db2.gz DBYHWVYQNLFPLR-ZDUSSCGKSA-N 1 0 233.355 3.849 20 0 BHADRO CCCc1nc(C[N@H+](C)C(C)(C)CC)cs1 ZINC000358925211 387033677 /nfs/dbraw/zinc/03/36/77/387033677.db2.gz RBSRPHUZGNVMCB-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CC(C)C[N@H+](CCc1cccnc1)C1CCCC1 ZINC000358968981 356880910 /nfs/dbraw/zinc/88/09/10/356880910.db2.gz AQZNZMJICNEPSH-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO CCC1CCC([N@H+](C)CCc2cccnc2)CC1 ZINC000358969464 387040278 /nfs/dbraw/zinc/04/02/78/387040278.db2.gz AZWRJXGWDOSPOT-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO CC1(CC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000358976549 168021369 /nfs/dbraw/zinc/02/13/69/168021369.db2.gz CRMGUNABPRSWCX-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000358976553 168022030 /nfs/dbraw/zinc/02/20/30/168022030.db2.gz CRMGUNABPRSWCX-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(CC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000358980315 168022562 /nfs/dbraw/zinc/02/25/62/168022562.db2.gz HJWYFFRYVQFNBX-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000358980318 168022287 /nfs/dbraw/zinc/02/22/87/168022287.db2.gz HJWYFFRYVQFNBX-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000358981583 166600589 /nfs/dbraw/zinc/60/05/89/166600589.db2.gz OBTILFDGRKOCKS-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000358981586 387040649 /nfs/dbraw/zinc/04/06/49/387040649.db2.gz OBTILFDGRKOCKS-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]([NH2+]CCC1(C)CC1)c1ccc(OC)cc1 ZINC000358986165 387041795 /nfs/dbraw/zinc/04/17/95/387041795.db2.gz LPJVQXNDPVYZBW-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCC1(C)CC1)c1ccc(OC)cc1 ZINC000358986173 387041329 /nfs/dbraw/zinc/04/13/29/387041329.db2.gz LPJVQXNDPVYZBW-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC1(C)CC1 ZINC000358988051 188068532 /nfs/dbraw/zinc/06/85/32/188068532.db2.gz PMOKZVRHOHGMQT-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000358988052 387042364 /nfs/dbraw/zinc/04/23/64/387042364.db2.gz PMOKZVRHOHGMQT-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000358988053 387041942 /nfs/dbraw/zinc/04/19/42/387041942.db2.gz PMOKZVRHOHGMQT-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1(C)CC1 ZINC000358988054 174871831 /nfs/dbraw/zinc/87/18/31/174871831.db2.gz PMOKZVRHOHGMQT-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000358988067 387041821 /nfs/dbraw/zinc/04/18/21/387041821.db2.gz PQGWPFCBLCBPJB-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000358988068 387041398 /nfs/dbraw/zinc/04/13/98/387041398.db2.gz PQGWPFCBLCBPJB-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]CCC1(C)CC1)c1cccc(OC)c1 ZINC000358990217 387042089 /nfs/dbraw/zinc/04/20/89/387042089.db2.gz OHVCGLMIOXQDFO-HNNXBMFYSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCC1(C)CC1)c1cccc(OC)c1 ZINC000358990219 387041438 /nfs/dbraw/zinc/04/14/38/387041438.db2.gz OHVCGLMIOXQDFO-OAHLLOKOSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cc(F)cc(F)c1 ZINC000358990416 387041995 /nfs/dbraw/zinc/04/19/95/387041995.db2.gz OXSVGEHWFCTETM-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cc(F)cc(F)c1 ZINC000358990420 387042472 /nfs/dbraw/zinc/04/24/72/387042472.db2.gz OXSVGEHWFCTETM-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000358992812 168022426 /nfs/dbraw/zinc/02/24/26/168022426.db2.gz RCKWQCOWWPNWKQ-AWEZNQCLSA-N 1 0 245.366 3.680 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000358992820 168021453 /nfs/dbraw/zinc/02/14/53/168021453.db2.gz RCKWQCOWWPNWKQ-CQSZACIVSA-N 1 0 245.366 3.680 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000358993004 175286419 /nfs/dbraw/zinc/28/64/19/175286419.db2.gz RNEQZKVZKMKNOJ-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000358993020 175293047 /nfs/dbraw/zinc/29/30/47/175293047.db2.gz RNEQZKVZKMKNOJ-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC1(C)CC1 ZINC000358993068 179215050 /nfs/dbraw/zinc/21/50/50/179215050.db2.gz AOBDFSDWFOEQQL-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC1(C)CC1 ZINC000358993077 179216599 /nfs/dbraw/zinc/21/65/99/179216599.db2.gz AOBDFSDWFOEQQL-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1(C)CC1)c1cccnc1 ZINC000358993161 387041971 /nfs/dbraw/zinc/04/19/71/387041971.db2.gz SAAUNWXXWLNTER-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1(C)CC1)c1cccnc1 ZINC000358993165 387042351 /nfs/dbraw/zinc/04/23/51/387042351.db2.gz SAAUNWXXWLNTER-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C[NH2+]Cc1ccncc1)C1=CCCCC1 ZINC000358994416 188067859 /nfs/dbraw/zinc/06/78/59/188067859.db2.gz QOGLCLVJPHWGEP-UHFFFAOYSA-N 1 0 244.382 3.698 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000358995314 179320385 /nfs/dbraw/zinc/32/03/85/179320385.db2.gz DDJNTOLCSREGQL-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000358995315 179337816 /nfs/dbraw/zinc/33/78/16/179337816.db2.gz DDJNTOLCSREGQL-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(F)c(F)c1 ZINC000358995481 176840311 /nfs/dbraw/zinc/84/03/11/176840311.db2.gz ZCPLWNGSGPIFKO-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(F)c(F)c1 ZINC000358995483 387042163 /nfs/dbraw/zinc/04/21/63/387042163.db2.gz ZCPLWNGSGPIFKO-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000358996136 387042236 /nfs/dbraw/zinc/04/22/36/387042236.db2.gz VYQQFWDTDBLCRM-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000358996138 175188640 /nfs/dbraw/zinc/18/86/40/175188640.db2.gz VYQQFWDTDBLCRM-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2(C(F)F)CC2)c1 ZINC000358996331 179180347 /nfs/dbraw/zinc/18/03/47/179180347.db2.gz DSDKDCFKFAHFLY-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2(C(F)F)CC2)c1 ZINC000358996332 179194468 /nfs/dbraw/zinc/19/44/68/179194468.db2.gz DSDKDCFKFAHFLY-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1N(C)C ZINC000358998113 387042417 /nfs/dbraw/zinc/04/24/17/387042417.db2.gz GBGQRTCKGCFEEG-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccccc1N(C)C ZINC000358998114 176840712 /nfs/dbraw/zinc/84/07/12/176840712.db2.gz GBGQRTCKGCFEEG-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1cccc(F)c1 ZINC000359000683 387043032 /nfs/dbraw/zinc/04/30/32/387043032.db2.gz KJFKQVFIYGASKI-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1cccc(F)c1 ZINC000359000684 387043017 /nfs/dbraw/zinc/04/30/17/387043017.db2.gz KJFKQVFIYGASKI-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccccc1F ZINC000359001108 387043488 /nfs/dbraw/zinc/04/34/88/387043488.db2.gz KQFDOVLCTMLRTO-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1ccccc1F ZINC000359001109 387043172 /nfs/dbraw/zinc/04/31/72/387043172.db2.gz KQFDOVLCTMLRTO-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccc(F)cc1 ZINC000359001172 387043444 /nfs/dbraw/zinc/04/34/44/387043444.db2.gz LEYVUTIVQPLJIS-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1ccc(F)cc1 ZINC000359001173 387043773 /nfs/dbraw/zinc/04/37/73/387043773.db2.gz LEYVUTIVQPLJIS-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C(F)F)CC2)o1 ZINC000359001630 387043398 /nfs/dbraw/zinc/04/33/98/387043398.db2.gz MTRWUHORZFULAH-SECBINFHSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C(F)F)CC2)o1 ZINC000359001631 171839187 /nfs/dbraw/zinc/83/91/87/171839187.db2.gz MTRWUHORZFULAH-VIFPVBQESA-N 1 0 243.297 3.538 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(C)CC1)CC2 ZINC000359002627 387043617 /nfs/dbraw/zinc/04/36/17/387043617.db2.gz LZPUHNNYSKMRBQ-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1(C)CC1)CC2 ZINC000359002631 387043330 /nfs/dbraw/zinc/04/33/30/387043330.db2.gz LZPUHNNYSKMRBQ-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cccc(F)c1F ZINC000359003330 387043656 /nfs/dbraw/zinc/04/36/56/387043656.db2.gz NONJIDMJZQQZSP-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccc(F)c1F ZINC000359003331 387043266 /nfs/dbraw/zinc/04/32/66/387043266.db2.gz NONJIDMJZQQZSP-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(F)cc1F ZINC000359003422 387043778 /nfs/dbraw/zinc/04/37/78/387043778.db2.gz OAPFRJVDYSQJCQ-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(F)cc1F ZINC000359003425 387043127 /nfs/dbraw/zinc/04/31/27/387043127.db2.gz OAPFRJVDYSQJCQ-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CC[C@H]([NH2+]CCC1(C)CC1)c1ccccc1OC ZINC000359003879 387043166 /nfs/dbraw/zinc/04/31/66/387043166.db2.gz ORLIWIRLEUBBHG-AWEZNQCLSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1OC ZINC000359003881 170893690 /nfs/dbraw/zinc/89/36/90/170893690.db2.gz ORLIWIRLEUBBHG-CQSZACIVSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000359003904 175344719 /nfs/dbraw/zinc/34/47/19/175344719.db2.gz OUXQAEXGHGAFLC-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000359003907 175350533 /nfs/dbraw/zinc/35/05/33/175350533.db2.gz OUXQAEXGHGAFLC-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C(F)F)CC2)c(C)o1 ZINC000359005441 178221709 /nfs/dbraw/zinc/22/17/09/178221709.db2.gz WELSFGCJECCRNG-SECBINFHSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C(F)F)CC2)c(C)o1 ZINC000359005442 178246033 /nfs/dbraw/zinc/24/60/33/178246033.db2.gz WELSFGCJECCRNG-VIFPVBQESA-N 1 0 243.297 3.592 20 0 BHADRO CC1(CC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000359005638 538848030 /nfs/dbraw/zinc/84/80/30/538848030.db2.gz REYMVTBYMVALOI-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000359005639 541485676 /nfs/dbraw/zinc/48/56/76/541485676.db2.gz REYMVTBYMVALOI-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CCC2(C)CC2)cnn1C(C)C ZINC000359005640 387043230 /nfs/dbraw/zinc/04/32/30/387043230.db2.gz REYYIZCTVQWOKF-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@H](C)[NH2+]CCC2(C)CC2)cnn1C(C)C ZINC000359005641 384409426 /nfs/dbraw/zinc/40/94/26/384409426.db2.gz REYYIZCTVQWOKF-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccccc1 ZINC000359005898 387043518 /nfs/dbraw/zinc/04/35/18/387043518.db2.gz WUWNNRSFYCMMIA-GFCCVEGCSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)F)CC1)c1ccccc1 ZINC000359005899 171517526 /nfs/dbraw/zinc/51/75/26/171517526.db2.gz WUWNNRSFYCMMIA-LBPRGKRZSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cc(F)ccc1F ZINC000359006585 487784027 /nfs/dbraw/zinc/78/40/27/487784027.db2.gz XZQFLHDGURXAAF-JTQLQIEISA-N 1 0 239.309 3.806 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cc(F)ccc1F ZINC000359006586 384411937 /nfs/dbraw/zinc/41/19/37/384411937.db2.gz XZQFLHDGURXAAF-SNVBAGLBSA-N 1 0 239.309 3.806 20 0 BHADRO CCC[C@@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000359008824 169399399 /nfs/dbraw/zinc/39/93/99/169399399.db2.gz YEQKWNPXTRUYKP-CYBMUJFWSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000359008825 397946493 /nfs/dbraw/zinc/94/64/93/397946493.db2.gz YEQKWNPXTRUYKP-ZDUSSCGKSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1(C)CC1 ZINC000359022053 387044988 /nfs/dbraw/zinc/04/49/88/387044988.db2.gz WGQXJFAAYIALHZ-ABAIWWIYSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1(C)CC1 ZINC000359022056 387045042 /nfs/dbraw/zinc/04/50/42/387045042.db2.gz WGQXJFAAYIALHZ-IAQYHMDHSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1(C)CC1 ZINC000359022059 387044898 /nfs/dbraw/zinc/04/48/98/387044898.db2.gz WGQXJFAAYIALHZ-NHYWBVRUSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1(C)CC1 ZINC000359022064 176897566 /nfs/dbraw/zinc/89/75/66/176897566.db2.gz WGQXJFAAYIALHZ-XHDPSFHLSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1ccncc1 ZINC000359025846 168150726 /nfs/dbraw/zinc/15/07/26/168150726.db2.gz CTULBEXIERFZAK-BBBYJDLNSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1ccncc1 ZINC000359025851 168150161 /nfs/dbraw/zinc/15/01/61/168150161.db2.gz CTULBEXIERFZAK-NPCAHTBFSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000359033019 356882240 /nfs/dbraw/zinc/88/22/40/356882240.db2.gz TYMGKIUIISIDNZ-CVEARBPZSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000359033020 171548290 /nfs/dbraw/zinc/54/82/90/171548290.db2.gz TYMGKIUIISIDNZ-HOTGVXAUSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000359033021 356882360 /nfs/dbraw/zinc/88/23/60/356882360.db2.gz TYMGKIUIISIDNZ-HZPDHXFCSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000359033022 387047412 /nfs/dbraw/zinc/04/74/12/387047412.db2.gz TYMGKIUIISIDNZ-JKSUJKDBSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1cccnc1 ZINC000359033187 168150076 /nfs/dbraw/zinc/15/00/76/168150076.db2.gz GUKATLXBWLFSBW-BBBYJDLNSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1cccnc1 ZINC000359033188 168150973 /nfs/dbraw/zinc/15/09/73/168150973.db2.gz GUKATLXBWLFSBW-NPCAHTBFSA-N 1 0 246.398 3.949 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000359041836 174260375 /nfs/dbraw/zinc/26/03/75/174260375.db2.gz ZDYUYOFSZZGAFB-SHARSMKWSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000359041837 174263118 /nfs/dbraw/zinc/26/31/18/174263118.db2.gz ZDYUYOFSZZGAFB-SLTAFYQDSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359043606 188240979 /nfs/dbraw/zinc/24/09/79/188240979.db2.gz DZUUYPHQGGKOAX-FMKPAKJESA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359043607 387050055 /nfs/dbraw/zinc/05/00/55/387050055.db2.gz DZUUYPHQGGKOAX-IIAWOOMASA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359043608 384464218 /nfs/dbraw/zinc/46/42/18/384464218.db2.gz DZUUYPHQGGKOAX-IJEWVQPXSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359043614 384463504 /nfs/dbraw/zinc/46/35/04/384463504.db2.gz DZUUYPHQGGKOAX-YCPHGPKFSA-N 1 0 246.398 3.805 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)c1cccnc1 ZINC000359050443 387051154 /nfs/dbraw/zinc/05/11/54/387051154.db2.gz UCYMESOBZXKMRK-DZKIICNBSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359050445 169510813 /nfs/dbraw/zinc/51/08/13/169510813.db2.gz UCYMESOBZXKMRK-FMKPAKJESA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)C1)c1cccnc1 ZINC000359050446 387050918 /nfs/dbraw/zinc/05/09/18/387050918.db2.gz UCYMESOBZXKMRK-LZWOXQAQSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000359050448 387050974 /nfs/dbraw/zinc/05/09/74/387050974.db2.gz UCYMESOBZXKMRK-YCPHGPKFSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1 ZINC000359070083 387053352 /nfs/dbraw/zinc/05/33/52/387053352.db2.gz NOTQKHCTZPZEOX-GFCCVEGCSA-N 1 0 246.398 3.723 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1 ZINC000359070084 387051780 /nfs/dbraw/zinc/05/17/80/387051780.db2.gz NOTQKHCTZPZEOX-LBPRGKRZSA-N 1 0 246.398 3.723 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)cn1 ZINC000359071633 387052327 /nfs/dbraw/zinc/05/23/27/387052327.db2.gz LVPMYHWPASNBHK-HZSPNIEDSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)cn1 ZINC000359071634 387052286 /nfs/dbraw/zinc/05/22/86/387052286.db2.gz LVPMYHWPASNBHK-MCIONIFRSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)cn1 ZINC000359072102 167754010 /nfs/dbraw/zinc/75/40/10/167754010.db2.gz LVPMYHWPASNBHK-MGPQQGTHSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)cn1 ZINC000359072107 167757583 /nfs/dbraw/zinc/75/75/83/167757583.db2.gz LVPMYHWPASNBHK-RDBSUJKOSA-N 1 0 249.402 3.551 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000359078936 179495688 /nfs/dbraw/zinc/49/56/88/179495688.db2.gz FDMYNQWMCQAROZ-GFCCVEGCSA-N 1 0 246.398 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000359078937 387052204 /nfs/dbraw/zinc/05/22/04/387052204.db2.gz FDMYNQWMCQAROZ-LBPRGKRZSA-N 1 0 246.398 3.723 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000359100748 169198375 /nfs/dbraw/zinc/19/83/75/169198375.db2.gz PPLLAQBUCYLPRF-LLVKDONJSA-N 1 0 209.358 3.603 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000359100751 169200121 /nfs/dbraw/zinc/20/01/21/169200121.db2.gz PPLLAQBUCYLPRF-NSHDSACASA-N 1 0 209.358 3.603 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359289850 387078878 /nfs/dbraw/zinc/07/88/78/387078878.db2.gz BECFGGMCLOIIDD-DOMZBBRYSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359289871 387079294 /nfs/dbraw/zinc/07/92/94/387079294.db2.gz BECFGGMCLOIIDD-IUODEOHRSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359289875 387078911 /nfs/dbraw/zinc/07/89/11/387078911.db2.gz BECFGGMCLOIIDD-SWLSCSKDSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccoc1C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359289878 387078713 /nfs/dbraw/zinc/07/87/13/387078713.db2.gz BECFGGMCLOIIDD-WFASDCNBSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000359301467 387081312 /nfs/dbraw/zinc/08/13/12/387081312.db2.gz NIVXSOKAEGHJAL-DOMZBBRYSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000359301469 387081474 /nfs/dbraw/zinc/08/14/74/387081474.db2.gz NIVXSOKAEGHJAL-IUODEOHRSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000359301470 387081789 /nfs/dbraw/zinc/08/17/89/387081789.db2.gz NIVXSOKAEGHJAL-SWLSCSKDSA-N 1 0 233.355 3.600 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000359301472 387080436 /nfs/dbraw/zinc/08/04/36/387080436.db2.gz NIVXSOKAEGHJAL-WFASDCNBSA-N 1 0 233.355 3.600 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCCC1)c1cccnc1 ZINC000359302050 187380188 /nfs/dbraw/zinc/38/01/88/187380188.db2.gz DSFWVBSJCVYANJ-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCCC1)c1cccnc1 ZINC000359302055 387080667 /nfs/dbraw/zinc/08/06/67/387080667.db2.gz DSFWVBSJCVYANJ-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1occc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000359304417 387082499 /nfs/dbraw/zinc/08/24/99/387082499.db2.gz GXPNNHMANRMVNI-AWEZNQCLSA-N 1 0 247.363 3.890 20 0 BHADRO Cc1occc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000359304426 387082797 /nfs/dbraw/zinc/08/27/97/387082797.db2.gz GXPNNHMANRMVNI-CQSZACIVSA-N 1 0 247.363 3.890 20 0 BHADRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000359309434 177196768 /nfs/dbraw/zinc/19/67/68/177196768.db2.gz RDCJCAPXWLAFPA-GXTWGEPZSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000359309438 177208452 /nfs/dbraw/zinc/20/84/52/177208452.db2.gz RDCJCAPXWLAFPA-JSGCOSHPSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000359309441 176238069 /nfs/dbraw/zinc/23/80/69/176238069.db2.gz RDCJCAPXWLAFPA-OCCSQVGLSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000359309446 176218896 /nfs/dbraw/zinc/21/88/96/176218896.db2.gz RDCJCAPXWLAFPA-TZMCWYRMSA-N 1 0 235.396 3.760 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000359315928 356888065 /nfs/dbraw/zinc/88/80/65/356888065.db2.gz GACGSXYBJMTMCJ-JVWICGRDSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000359315930 171926799 /nfs/dbraw/zinc/92/67/99/171926799.db2.gz GACGSXYBJMTMCJ-OWYJLGKBSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000359316243 177196472 /nfs/dbraw/zinc/19/64/72/177196472.db2.gz YRUZCHCCYWQRET-GXTWGEPZSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000359316246 177208587 /nfs/dbraw/zinc/20/85/87/177208587.db2.gz YRUZCHCCYWQRET-JSGCOSHPSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000359316248 176238812 /nfs/dbraw/zinc/23/88/12/176238812.db2.gz YRUZCHCCYWQRET-OCCSQVGLSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000359316254 176218889 /nfs/dbraw/zinc/21/88/89/176218889.db2.gz YRUZCHCCYWQRET-TZMCWYRMSA-N 1 0 235.396 3.760 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000359327784 387084257 /nfs/dbraw/zinc/08/42/57/387084257.db2.gz XGXNPNASOJZMEW-KFWWJZLASA-N 1 0 247.407 3.621 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000359327785 387085603 /nfs/dbraw/zinc/08/56/03/387085603.db2.gz XGXNPNASOJZMEW-RBSFLKMASA-N 1 0 247.407 3.621 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000359327787 387084622 /nfs/dbraw/zinc/08/46/22/387084622.db2.gz XGXNPNASOJZMEW-RRFJBIMHSA-N 1 0 247.407 3.621 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000359327788 175550924 /nfs/dbraw/zinc/55/09/24/175550924.db2.gz XGXNPNASOJZMEW-ZNMIVQPWSA-N 1 0 247.407 3.621 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000359333779 356888262 /nfs/dbraw/zinc/88/82/62/356888262.db2.gz BNGVLKRIHHNZDP-NEPJUHHUSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000359333781 356888222 /nfs/dbraw/zinc/88/82/22/356888222.db2.gz BNGVLKRIHHNZDP-NWDGAFQWSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000359333783 356888156 /nfs/dbraw/zinc/88/81/56/356888156.db2.gz BNGVLKRIHHNZDP-RYUDHWBXSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000359333785 356888246 /nfs/dbraw/zinc/88/82/46/356888246.db2.gz BNGVLKRIHHNZDP-VXGBXAGGSA-N 1 0 244.338 3.649 20 0 BHADRO CCCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000359359037 387091867 /nfs/dbraw/zinc/09/18/67/387091867.db2.gz ATPLFIFJOXJNFX-AWEZNQCLSA-N 1 0 233.355 3.680 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000359359039 387090516 /nfs/dbraw/zinc/09/05/16/387090516.db2.gz ATPLFIFJOXJNFX-CQSZACIVSA-N 1 0 233.355 3.680 20 0 BHADRO CCCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000359360061 387091399 /nfs/dbraw/zinc/09/13/99/387091399.db2.gz FQZSTCMFVLVVJE-AWEZNQCLSA-N 1 0 233.355 3.598 20 0 BHADRO CCCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000359360062 387091813 /nfs/dbraw/zinc/09/18/13/387091813.db2.gz FQZSTCMFVLVVJE-CQSZACIVSA-N 1 0 233.355 3.598 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1cccc(OC)c1 ZINC000359363298 387091260 /nfs/dbraw/zinc/09/12/60/387091260.db2.gz AYHNAFWPFBVWDR-HNNXBMFYSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1cccc(OC)c1 ZINC000359363299 387090972 /nfs/dbraw/zinc/09/09/72/387090972.db2.gz AYHNAFWPFBVWDR-OAHLLOKOSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CC)c1ccc(OC)cc1 ZINC000359365618 387091189 /nfs/dbraw/zinc/09/11/89/387091189.db2.gz RJEQHRZMKCKDHE-DOMZBBRYSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CC)c1ccc(OC)cc1 ZINC000359365619 169403667 /nfs/dbraw/zinc/40/36/67/169403667.db2.gz RJEQHRZMKCKDHE-IUODEOHRSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CC)c1ccc(OC)cc1 ZINC000359365620 169401972 /nfs/dbraw/zinc/40/19/72/169401972.db2.gz RJEQHRZMKCKDHE-SWLSCSKDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CC)c1ccc(OC)cc1 ZINC000359365621 387090715 /nfs/dbraw/zinc/09/07/15/387090715.db2.gz RJEQHRZMKCKDHE-WFASDCNBSA-N 1 0 235.371 3.925 20 0 BHADRO CC(C)CCC[C@H]([NH2+]CCCO)c1ccccc1 ZINC000359365703 166824463 /nfs/dbraw/zinc/82/44/63/166824463.db2.gz SLBSOVFUHCWZCD-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)CCC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC000359365705 166822933 /nfs/dbraw/zinc/82/29/33/166822933.db2.gz SLBSOVFUHCWZCD-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC(C)C ZINC000359367712 387091284 /nfs/dbraw/zinc/09/12/84/387091284.db2.gz DQDQUTQRCZEZOI-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC(C)C ZINC000359367715 178948378 /nfs/dbraw/zinc/94/83/78/178948378.db2.gz DQDQUTQRCZEZOI-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO CCC[C@H]([NH2+]CC(C)C)c1ccc(OC)cc1 ZINC000359369460 169509981 /nfs/dbraw/zinc/50/99/81/169509981.db2.gz JXROKPWZGJLYEU-HNNXBMFYSA-N 1 0 235.371 3.782 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)C)c1ccc(OC)cc1 ZINC000359369461 169399907 /nfs/dbraw/zinc/39/99/07/169399907.db2.gz JXROKPWZGJLYEU-OAHLLOKOSA-N 1 0 235.371 3.782 20 0 BHADRO CCCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000359371703 168876532 /nfs/dbraw/zinc/87/65/32/168876532.db2.gz QXEAVFWCOVSJLN-AWEZNQCLSA-N 1 0 233.355 3.598 20 0 BHADRO CCCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000359371704 387093596 /nfs/dbraw/zinc/09/35/96/387093596.db2.gz QXEAVFWCOVSJLN-CQSZACIVSA-N 1 0 233.355 3.598 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000359372693 179339425 /nfs/dbraw/zinc/33/94/25/179339425.db2.gz BUMQPQGNLWYDMN-QLFBSQMISA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000359372694 179338989 /nfs/dbraw/zinc/33/89/89/179338989.db2.gz BUMQPQGNLWYDMN-SOUVJXGZSA-N 1 0 247.382 3.603 20 0 BHADRO CCCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000359373132 387092977 /nfs/dbraw/zinc/09/29/77/387092977.db2.gz UIOZQAQFEVOKKC-HNNXBMFYSA-N 1 0 247.382 3.907 20 0 BHADRO CCCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000359373134 387093460 /nfs/dbraw/zinc/09/34/60/387093460.db2.gz UIOZQAQFEVOKKC-OAHLLOKOSA-N 1 0 247.382 3.907 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(C)C)CCCO2 ZINC000359374595 387092886 /nfs/dbraw/zinc/09/28/86/387092886.db2.gz CAJYNDPOYVXLMY-HNNXBMFYSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(C)C)CCCO2 ZINC000359374596 387093145 /nfs/dbraw/zinc/09/31/45/387093145.db2.gz CAJYNDPOYVXLMY-OAHLLOKOSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc([C@H](CCC(C)C)[NH2+]C2CC2)cc1 ZINC000359375302 487787019 /nfs/dbraw/zinc/78/70/19/487787019.db2.gz YPVPXWHFTJBKTI-INIZCTEOSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](CCC(C)C)[NH2+]C2CC2)cc1 ZINC000359375303 175178432 /nfs/dbraw/zinc/17/84/32/175178432.db2.gz YPVPXWHFTJBKTI-MRXNPFEDSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]C2CCCC2)C1 ZINC000359375881 487787044 /nfs/dbraw/zinc/78/70/44/487787044.db2.gz GNDHRZZXOTWSTK-CYBMUJFWSA-N 1 0 233.355 3.825 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCCC2)C1 ZINC000359375882 187380465 /nfs/dbraw/zinc/38/04/65/187380465.db2.gz GNDHRZZXOTWSTK-ZDUSSCGKSA-N 1 0 233.355 3.825 20 0 BHADRO COc1ccc2oc([C@H](C)[NH2+]C3CC3)c(C)c2c1 ZINC000359376750 175230807 /nfs/dbraw/zinc/23/08/07/175230807.db2.gz KVRLNYPCFZDKBG-JTQLQIEISA-N 1 0 245.322 3.563 20 0 BHADRO COc1ccc2oc([C@@H](C)[NH2+]C3CC3)c(C)c2c1 ZINC000359376751 175231524 /nfs/dbraw/zinc/23/15/24/175231524.db2.gz KVRLNYPCFZDKBG-SNVBAGLBSA-N 1 0 245.322 3.563 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000359378452 387094455 /nfs/dbraw/zinc/09/44/55/387094455.db2.gz MDOCIVMWQIKAPO-GFCCVEGCSA-N 1 0 238.334 3.562 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000359378453 387094162 /nfs/dbraw/zinc/09/41/62/387094162.db2.gz MDOCIVMWQIKAPO-LBPRGKRZSA-N 1 0 238.334 3.562 20 0 BHADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)C)CCCO2 ZINC000359381204 177882870 /nfs/dbraw/zinc/88/28/70/177882870.db2.gz PSWSDXGFZHXLSU-HNNXBMFYSA-N 1 0 247.382 3.763 20 0 BHADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(C)C)CCCO2 ZINC000359381208 387094732 /nfs/dbraw/zinc/09/47/32/387094732.db2.gz PSWSDXGFZHXLSU-OAHLLOKOSA-N 1 0 247.382 3.763 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)C)CCCO2 ZINC000359387277 178286582 /nfs/dbraw/zinc/28/65/82/178286582.db2.gz WMVQNQAODKLNRD-HNNXBMFYSA-N 1 0 247.382 3.763 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)C)CCCO2 ZINC000359387280 178287992 /nfs/dbraw/zinc/28/79/92/178287992.db2.gz WMVQNQAODKLNRD-OAHLLOKOSA-N 1 0 247.382 3.763 20 0 BHADRO Cc1c[nH+]ccc1N1CCc2sccc2[C@H]1C ZINC000359423566 132276376 /nfs/dbraw/zinc/27/63/76/132276376.db2.gz CCTSQARLNDCHNQ-LLVKDONJSA-N 1 0 244.363 3.575 20 0 BHADRO Cc1c[nH+]ccc1N1CCc2sccc2[C@@H]1C ZINC000359423569 132276617 /nfs/dbraw/zinc/27/66/17/132276617.db2.gz CCTSQARLNDCHNQ-NSHDSACASA-N 1 0 244.363 3.575 20 0 BHADRO c1csc(CNc2cc3c(c[nH+]2)CCCC3)c1 ZINC000359464947 387106627 /nfs/dbraw/zinc/10/66/27/387106627.db2.gz FIMYQPPHTGXSGN-UHFFFAOYSA-N 1 0 244.363 3.634 20 0 BHADRO Cc1c[nH+]ccc1N1CCC2(CCCC2)CC1 ZINC000359475659 132276394 /nfs/dbraw/zinc/27/63/94/132276394.db2.gz AXVSYLLLXUXORB-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO Cc1cccc([C@H](C)N2CCC=C(F)C2)c1 ZINC000359513454 179193162 /nfs/dbraw/zinc/19/31/62/179193162.db2.gz GSSRLNKNJGMWGD-LBPRGKRZSA-N 1 0 219.303 3.615 20 0 BHADRO FC1=CCC[N@H+](CCCC2CCCC2)C1 ZINC000359514768 387116411 /nfs/dbraw/zinc/11/64/11/387116411.db2.gz LKPIGYYOXRMTDF-UHFFFAOYSA-N 1 0 211.324 3.516 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000359516566 132276583 /nfs/dbraw/zinc/27/65/83/132276583.db2.gz LJOAOGVKVMRFHD-INIZCTEOSA-N 1 0 242.366 3.717 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@]2(CC=CCC2)C1 ZINC000359516567 132276614 /nfs/dbraw/zinc/27/66/14/132276614.db2.gz LJOAOGVKVMRFHD-MRXNPFEDSA-N 1 0 242.366 3.717 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC=C(F)C1 ZINC000359517572 356890237 /nfs/dbraw/zinc/89/02/37/356890237.db2.gz XEMHCFHVBHNLGT-AWEZNQCLSA-N 1 0 219.303 3.697 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC=C(F)C1 ZINC000359517574 387115507 /nfs/dbraw/zinc/11/55/07/387115507.db2.gz XEMHCFHVBHNLGT-CQSZACIVSA-N 1 0 219.303 3.697 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359538409 176238203 /nfs/dbraw/zinc/23/82/03/176238203.db2.gz AYJKVZBUPZRADD-FMKPAKJESA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359538411 176219076 /nfs/dbraw/zinc/21/90/76/176219076.db2.gz AYJKVZBUPZRADD-IIAWOOMASA-N 1 0 244.382 3.655 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000359552690 387121290 /nfs/dbraw/zinc/12/12/90/387121290.db2.gz GNEHWECCFWQEOX-CORIIIEPSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000359552691 387121645 /nfs/dbraw/zinc/12/16/45/387121645.db2.gz GNEHWECCFWQEOX-OSAQELSMSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000359552692 387121724 /nfs/dbraw/zinc/12/17/24/387121724.db2.gz GNEHWECCFWQEOX-WHOFXGATSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000359552693 387122114 /nfs/dbraw/zinc/12/21/14/387122114.db2.gz GNEHWECCFWQEOX-ZLDLUXBVSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1c[nH+]ccc1N1CC=C(C(C)(C)C)CC1 ZINC000359552903 132276599 /nfs/dbraw/zinc/27/65/99/132276599.db2.gz PIBFFIUPQFGXBR-UHFFFAOYSA-N 1 0 230.355 3.573 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359554735 176238210 /nfs/dbraw/zinc/23/82/10/176238210.db2.gz JNDSOACGIJKEFI-FMKPAKJESA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359554736 176218355 /nfs/dbraw/zinc/21/83/55/176218355.db2.gz JNDSOACGIJKEFI-IIAWOOMASA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359554738 176029954 /nfs/dbraw/zinc/02/99/54/176029954.db2.gz JNDSOACGIJKEFI-IJEWVQPXSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359554739 176030597 /nfs/dbraw/zinc/03/05/97/176030597.db2.gz JNDSOACGIJKEFI-YCPHGPKFSA-N 1 0 244.382 3.655 20 0 BHADRO CC1=CC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000359575210 168116267 /nfs/dbraw/zinc/11/62/67/168116267.db2.gz COKVRYSSLSTDHX-UHFFFAOYSA-N 1 0 237.293 3.776 20 0 BHADRO C[C@@]1(F)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000359583359 490127747 /nfs/dbraw/zinc/12/77/47/490127747.db2.gz PHWROKSWQFEDNS-CYBMUJFWSA-N 1 0 243.272 3.558 20 0 BHADRO C[C@]1(F)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000359583360 387128344 /nfs/dbraw/zinc/12/83/44/387128344.db2.gz PHWROKSWQFEDNS-ZDUSSCGKSA-N 1 0 243.272 3.558 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000359592919 166939114 /nfs/dbraw/zinc/93/91/14/166939114.db2.gz AIESROZQIUYHEC-UHFFFAOYSA-N 1 0 227.298 3.712 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)F)cc1)C1CCC1 ZINC000359594233 356891505 /nfs/dbraw/zinc/89/15/05/356891505.db2.gz CJAVGJJUMIVXRD-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2CCC23CCC3)cc1 ZINC000359600094 384290134 /nfs/dbraw/zinc/29/01/34/384290134.db2.gz MLOPVCVGIIQIIP-UHFFFAOYSA-N 1 0 237.293 3.753 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000359641102 387138226 /nfs/dbraw/zinc/13/82/26/387138226.db2.gz MGVDCZPREKJZTK-SECBINFHSA-N 1 0 249.276 3.799 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000359641103 387138261 /nfs/dbraw/zinc/13/82/61/387138261.db2.gz MGVDCZPREKJZTK-VIFPVBQESA-N 1 0 249.276 3.799 20 0 BHADRO Cc1c[nH+]ccc1N1CCC(C)(C(C)C)CC1 ZINC000359650076 132276870 /nfs/dbraw/zinc/27/68/70/132276870.db2.gz OHUYSJHHHFRHLD-UHFFFAOYSA-N 1 0 232.371 3.653 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000359702571 387149574 /nfs/dbraw/zinc/14/95/74/387149574.db2.gz ZPXWCNXSTKMKOU-UHFFFAOYSA-N 1 0 233.286 3.628 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359711420 387152577 /nfs/dbraw/zinc/15/25/77/387152577.db2.gz DXKWQFXXIGVHRK-LLVKDONJSA-N 1 0 246.741 3.586 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359711424 387152636 /nfs/dbraw/zinc/15/26/36/387152636.db2.gz DXKWQFXXIGVHRK-NSHDSACASA-N 1 0 246.741 3.586 20 0 BHADRO Cc1c[nH+]ccc1N1CCCC2(CCCC2)C1 ZINC000359725721 132277131 /nfs/dbraw/zinc/27/71/31/132277131.db2.gz ZMVZFUIDZWDVTM-UHFFFAOYSA-N 1 0 230.355 3.551 20 0 BHADRO c1coc(C[NH+](CCC2CC2)Cc2ccco2)c1 ZINC000359842781 387176385 /nfs/dbraw/zinc/17/63/85/387176385.db2.gz XAPQRXLQZGDZAP-UHFFFAOYSA-N 1 0 245.322 3.675 20 0 BHADRO Fc1ccc(C[N@H+](CCC2CC2)C2CC2)cc1 ZINC000359843540 387175168 /nfs/dbraw/zinc/17/51/68/387175168.db2.gz MLGVBULELDDXKL-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCCCC2)c(C)n1 ZINC000359849014 387175924 /nfs/dbraw/zinc/17/59/24/387175924.db2.gz RSHDOZUMJPIFFU-UHFFFAOYSA-N 1 0 246.398 3.711 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCC2)c(C)n1 ZINC000359849292 387176527 /nfs/dbraw/zinc/17/65/27/387176527.db2.gz UHCNFSJGBXWFBE-UHFFFAOYSA-N 1 0 246.398 3.853 20 0 BHADRO Fc1cccc(C[N@H+](CCC2CC2)C2CC2)c1 ZINC000359850081 387176774 /nfs/dbraw/zinc/17/67/74/387176774.db2.gz JBMBYSHUHKUNEQ-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccc(C)nc1C ZINC000359852865 168349924 /nfs/dbraw/zinc/34/99/24/168349924.db2.gz YZJUDYLNSBQEAK-UHFFFAOYSA-N 1 0 248.414 3.957 20 0 BHADRO Cc1ccc(C[NH+](CC(C)C)CC(C)C)c(C)n1 ZINC000359852883 487790737 /nfs/dbraw/zinc/79/07/37/487790737.db2.gz ZPJZWNVHIGRIEV-UHFFFAOYSA-N 1 0 248.414 3.812 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](CCC1CC1)C2 ZINC000359854226 487790450 /nfs/dbraw/zinc/79/04/50/487790450.db2.gz HIVYWSKHOVAXRR-HNNXBMFYSA-N 1 0 219.372 3.609 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](CCC1CC1)C2 ZINC000359854301 487790738 /nfs/dbraw/zinc/79/07/38/487790738.db2.gz HIVYWSKHOVAXRR-OAHLLOKOSA-N 1 0 219.372 3.609 20 0 BHADRO Fc1ccccc1C[N@H+](CCC1CC1)C1CC1 ZINC000359854751 181012195 /nfs/dbraw/zinc/01/21/95/181012195.db2.gz QMVJTBDJPAKISV-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC(C)(C)CC2)c(C)n1 ZINC000359855779 487790317 /nfs/dbraw/zinc/79/03/17/487790317.db2.gz KOWNSAVLZUBDMO-UHFFFAOYSA-N 1 0 246.398 3.711 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)CC1 ZINC000359857075 397959433 /nfs/dbraw/zinc/95/94/33/397959433.db2.gz NAHPGCGXFRFUFW-HNNXBMFYSA-N 1 0 246.398 3.711 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)CC1 ZINC000359857077 356895777 /nfs/dbraw/zinc/89/57/77/356895777.db2.gz NAHPGCGXFRFUFW-OAHLLOKOSA-N 1 0 246.398 3.711 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)c(C)n1 ZINC000359857687 384555579 /nfs/dbraw/zinc/55/55/79/384555579.db2.gz OIYPUFJGXMULBE-HNNXBMFYSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)c(C)n1 ZINC000359857692 384557002 /nfs/dbraw/zinc/55/70/02/384557002.db2.gz OIYPUFJGXMULBE-OAHLLOKOSA-N 1 0 246.398 3.566 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000359858239 397959318 /nfs/dbraw/zinc/95/93/18/397959318.db2.gz QZGFHQMDRBVFMV-INIZCTEOSA-N 1 0 246.398 3.853 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000359858240 356896167 /nfs/dbraw/zinc/89/61/67/356896167.db2.gz QZGFHQMDRBVFMV-MRXNPFEDSA-N 1 0 246.398 3.853 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359859636 397959524 /nfs/dbraw/zinc/95/95/24/397959524.db2.gz USZGKUQYFYIHDG-MRXNPFEDSA-N 1 0 246.398 3.711 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H]2C(C)C)c(C)n1 ZINC000359861768 387179675 /nfs/dbraw/zinc/17/96/75/387179675.db2.gz ZVKBFHQYSRTAGR-INIZCTEOSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(C)C)c(C)n1 ZINC000359861769 387179027 /nfs/dbraw/zinc/17/90/27/387179027.db2.gz ZVKBFHQYSRTAGR-MRXNPFEDSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c(C)n1 ZINC000359887800 387184915 /nfs/dbraw/zinc/18/49/15/387184915.db2.gz QLMRDUJQJJDWRH-GXTWGEPZSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c(C)n1 ZINC000359887802 387183873 /nfs/dbraw/zinc/18/38/73/387183873.db2.gz QLMRDUJQJJDWRH-JSGCOSHPSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c(C)n1 ZINC000359887804 387184813 /nfs/dbraw/zinc/18/48/13/387184813.db2.gz QLMRDUJQJJDWRH-OCCSQVGLSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c(C)n1 ZINC000359887805 387184712 /nfs/dbraw/zinc/18/47/12/387184712.db2.gz QLMRDUJQJJDWRH-TZMCWYRMSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c(C)n1 ZINC000359888820 387183524 /nfs/dbraw/zinc/18/35/24/387183524.db2.gz VYKKBGZMWBLNPT-HNNXBMFYSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c(C)n1 ZINC000359888822 387184412 /nfs/dbraw/zinc/18/44/12/387184412.db2.gz VYKKBGZMWBLNPT-OAHLLOKOSA-N 1 0 246.398 3.709 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359900446 387185532 /nfs/dbraw/zinc/18/55/32/387185532.db2.gz NKZIGWVSFMEKNZ-UHFFFAOYSA-N 1 0 246.398 3.711 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359905343 387188458 /nfs/dbraw/zinc/18/84/58/387188458.db2.gz UAPOJWUITABWBH-HNNXBMFYSA-N 1 0 246.398 3.711 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359905345 387188387 /nfs/dbraw/zinc/18/83/87/387188387.db2.gz UAPOJWUITABWBH-OAHLLOKOSA-N 1 0 246.398 3.711 20 0 BHADRO FCCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000359980307 387204516 /nfs/dbraw/zinc/20/45/16/387204516.db2.gz CBIBTGZNRMSIQO-UHFFFAOYSA-N 1 0 236.265 3.536 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000359982461 171299259 /nfs/dbraw/zinc/29/92/59/171299259.db2.gz XDBGETUBNBUTFB-AAEUAGOBSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000359982462 490131584 /nfs/dbraw/zinc/13/15/84/490131584.db2.gz XDBGETUBNBUTFB-DGCLKSJQSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(F)cn1 ZINC000359982463 171296452 /nfs/dbraw/zinc/29/64/52/171296452.db2.gz XDBGETUBNBUTFB-WCQYABFASA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000359982464 490131942 /nfs/dbraw/zinc/13/19/42/490131942.db2.gz XDBGETUBNBUTFB-YPMHNXCESA-N 1 0 238.350 3.525 20 0 BHADRO Cc1cccc(NCCCc2ccccc2F)[nH+]1 ZINC000360051608 179144418 /nfs/dbraw/zinc/14/44/18/179144418.db2.gz FLJNDCRELMGOEA-UHFFFAOYSA-N 1 0 244.313 3.574 20 0 BHADRO Cc1n[nH]cc1C[NH2+][C@H](C)CCC1CCCCC1 ZINC000360054921 397960095 /nfs/dbraw/zinc/96/00/95/397960095.db2.gz QSOKKKVSCLUPSB-GFCCVEGCSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1n[nH]cc1C[NH2+][C@@H](C)CCC1CCCCC1 ZINC000360054922 188241328 /nfs/dbraw/zinc/24/13/28/188241328.db2.gz QSOKKKVSCLUPSB-LBPRGKRZSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2CC(C)C)c(C)n1 ZINC000360065018 387222940 /nfs/dbraw/zinc/22/29/40/387222940.db2.gz XTXYKYNTNOSZCW-INIZCTEOSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2CC(C)C)c(C)n1 ZINC000360065019 178569862 /nfs/dbraw/zinc/56/98/62/178569862.db2.gz XTXYKYNTNOSZCW-MRXNPFEDSA-N 1 0 246.398 3.709 20 0 BHADRO CCC[N@@H+](Cc1ccc(C)nc1C)CC(C)C ZINC000360072709 169175057 /nfs/dbraw/zinc/17/50/57/169175057.db2.gz RCOSITBLNPOOSV-UHFFFAOYSA-N 1 0 234.387 3.566 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000360074298 397962492 /nfs/dbraw/zinc/96/24/92/397962492.db2.gz YYOVIMOENFXCKT-UHFFFAOYSA-N 1 0 246.398 3.711 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CCC[C@H]2C2CC2)[nH]1 ZINC000360078462 183341452 /nfs/dbraw/zinc/34/14/52/183341452.db2.gz WLOUNRLTPSXBFB-INIZCTEOSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CCC[C@@H]2C2CC2)[nH]1 ZINC000360078468 183342110 /nfs/dbraw/zinc/34/21/10/183342110.db2.gz WLOUNRLTPSXBFB-MRXNPFEDSA-N 1 0 240.350 3.542 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)nc1C)C(C)(C)C ZINC000360123373 171530084 /nfs/dbraw/zinc/53/00/84/171530084.db2.gz OWZOCADJCHQHCN-AWEZNQCLSA-N 1 0 234.387 3.613 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1C)C(C)(C)C ZINC000360123377 356902727 /nfs/dbraw/zinc/90/27/27/356902727.db2.gz OWZOCADJCHQHCN-CQSZACIVSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(C)n1 ZINC000360138317 387232162 /nfs/dbraw/zinc/23/21/62/387232162.db2.gz CFLFUIVRYRPNNF-ATCWAGBWSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(C)n1 ZINC000360138318 178602566 /nfs/dbraw/zinc/60/25/66/178602566.db2.gz CFLFUIVRYRPNNF-RYUDHWBXSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c(C)n1 ZINC000360138319 387231757 /nfs/dbraw/zinc/23/17/57/387231757.db2.gz CFLFUIVRYRPNNF-VXGBXAGGSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c(C)n1 ZINC000360150854 387234443 /nfs/dbraw/zinc/23/44/43/387234443.db2.gz UBVUQIIJCBBJKN-CHWSQXEVSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000360150856 387233196 /nfs/dbraw/zinc/23/31/96/387233196.db2.gz UBVUQIIJCBBJKN-OLZOCXBDSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC000360151098 387234139 /nfs/dbraw/zinc/23/41/39/387234139.db2.gz UBVUQIIJCBBJKN-QWHCGFSZSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000360151099 387234297 /nfs/dbraw/zinc/23/42/97/387234297.db2.gz UBVUQIIJCBBJKN-STQMWFEESA-N 1 0 246.398 3.566 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000360154433 167310970 /nfs/dbraw/zinc/31/09/70/167310970.db2.gz RTTIKECNEWXMFG-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000360154434 167310700 /nfs/dbraw/zinc/31/07/00/167310700.db2.gz RTTIKECNEWXMFG-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000360220040 387246661 /nfs/dbraw/zinc/24/66/61/387246661.db2.gz GLUNTZLHMYLXQO-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000360220041 174706621 /nfs/dbraw/zinc/70/66/21/174706621.db2.gz GLUNTZLHMYLXQO-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000360220043 387245258 /nfs/dbraw/zinc/24/52/58/387245258.db2.gz GLUNTZLHMYLXQO-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000360220044 387246514 /nfs/dbraw/zinc/24/65/14/387246514.db2.gz GLUNTZLHMYLXQO-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CC(C)CCC[C@@H]([NH2+][C@H](C)CO)c1ccccc1 ZINC000360232629 387247294 /nfs/dbraw/zinc/24/72/94/387247294.db2.gz BMSFBTQCVLRCBA-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@@H]([NH2+][C@@H](C)CO)c1ccccc1 ZINC000360232630 387247663 /nfs/dbraw/zinc/24/76/63/387247663.db2.gz BMSFBTQCVLRCBA-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H]([NH2+][C@@H](C)CO)c1ccccc1 ZINC000360232631 387247925 /nfs/dbraw/zinc/24/79/25/387247925.db2.gz BMSFBTQCVLRCBA-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[C@H]([NH2+][C@H](C)CO)c1ccccc1 ZINC000360232632 387248542 /nfs/dbraw/zinc/24/85/42/387248542.db2.gz BMSFBTQCVLRCBA-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1cc2c(s1)CCC2 ZINC000360236324 387247970 /nfs/dbraw/zinc/24/79/70/387247970.db2.gz ZZDLKDSSANNWFQ-JTQLQIEISA-N 1 0 247.363 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1cc2c(s1)CCC2 ZINC000360236325 387247568 /nfs/dbraw/zinc/24/75/68/387247568.db2.gz ZZDLKDSSANNWFQ-SNVBAGLBSA-N 1 0 247.363 3.681 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](CCO)c1ccccc1 ZINC000360240401 356903867 /nfs/dbraw/zinc/90/38/67/356903867.db2.gz UYCHWOKVQYSOEB-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](CCO)c1ccccc1 ZINC000360240402 356903818 /nfs/dbraw/zinc/90/38/18/356903818.db2.gz UYCHWOKVQYSOEB-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c(C)n1 ZINC000360242513 387251126 /nfs/dbraw/zinc/25/11/26/387251126.db2.gz OVHCVDAVNYKZBA-HNNXBMFYSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c(C)n1 ZINC000360242514 387250352 /nfs/dbraw/zinc/25/03/52/387250352.db2.gz OVHCVDAVNYKZBA-OAHLLOKOSA-N 1 0 246.398 3.566 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1)c1cccc(OC)c1 ZINC000360242569 387249442 /nfs/dbraw/zinc/24/94/42/387249442.db2.gz PIWUDBURCBICQW-HNNXBMFYSA-N 1 0 245.322 3.529 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(OC)c1 ZINC000360242570 356903724 /nfs/dbraw/zinc/90/37/24/356903724.db2.gz PIWUDBURCBICQW-OAHLLOKOSA-N 1 0 245.322 3.529 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c(C)n1 ZINC000360249424 387249419 /nfs/dbraw/zinc/24/94/19/387249419.db2.gz MCBQXHZFVLSELL-GFCCVEGCSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c(C)n1 ZINC000360249425 387249492 /nfs/dbraw/zinc/24/94/92/387249492.db2.gz MCBQXHZFVLSELL-LBPRGKRZSA-N 1 0 246.398 3.566 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000360285679 387257643 /nfs/dbraw/zinc/25/76/43/387257643.db2.gz LBIUJDQJXIVYLE-INIZCTEOSA-N 1 0 229.367 3.550 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000360285681 356904560 /nfs/dbraw/zinc/90/45/60/356904560.db2.gz LBIUJDQJXIVYLE-MRXNPFEDSA-N 1 0 229.367 3.550 20 0 BHADRO CCc1ccc(CC[N@H+](C)Cc2ccoc2)cc1 ZINC000360287016 387257104 /nfs/dbraw/zinc/25/71/04/387257104.db2.gz QVYSEAYMGVQFQH-UHFFFAOYSA-N 1 0 243.350 3.517 20 0 BHADRO c1ccc2c(c1)C[NH+](Cc1ccc3c(c1)CCC3)C2 ZINC000360287753 387256730 /nfs/dbraw/zinc/25/67/30/387256730.db2.gz XWNFKCOXDAWFBF-UHFFFAOYSA-N 1 0 249.357 3.691 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000360288049 356904818 /nfs/dbraw/zinc/90/48/18/356904818.db2.gz ZZLIHXIJLDYDGS-UHFFFAOYSA-N 1 0 229.367 3.550 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC000360329092 356905785 /nfs/dbraw/zinc/90/57/85/356905785.db2.gz JWPNDLXDOJCJOF-GDBMZVCRSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC000360329096 387264149 /nfs/dbraw/zinc/26/41/49/387264149.db2.gz JWPNDLXDOJCJOF-GOEBONIOSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nc1C ZINC000360329097 387264053 /nfs/dbraw/zinc/26/40/53/387264053.db2.gz JWPNDLXDOJCJOF-HOCLYGCPSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nc1C ZINC000360329099 170967312 /nfs/dbraw/zinc/96/73/12/170967312.db2.gz JWPNDLXDOJCJOF-ZBFHGGJFSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C)n1 ZINC000360329176 387264542 /nfs/dbraw/zinc/26/45/42/387264542.db2.gz KLGGKXNGMVSQTH-AXAPSJFSSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C)n1 ZINC000360329177 387264413 /nfs/dbraw/zinc/26/44/13/387264413.db2.gz KLGGKXNGMVSQTH-DETPVDSQSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C)n1 ZINC000360329178 387263521 /nfs/dbraw/zinc/26/35/21/387263521.db2.gz KLGGKXNGMVSQTH-NORZTCDRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)n1 ZINC000360329179 387263874 /nfs/dbraw/zinc/26/38/74/387263874.db2.gz KLGGKXNGMVSQTH-PVXIVEMSSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)n1 ZINC000360329797 387264255 /nfs/dbraw/zinc/26/42/55/387264255.db2.gz PPXVOTARCJBEKR-BFQNTYOBSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c(C)n1 ZINC000360329798 387264331 /nfs/dbraw/zinc/26/43/31/387264331.db2.gz PPXVOTARCJBEKR-HWWQOWPSSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c(C)n1 ZINC000360329799 178625884 /nfs/dbraw/zinc/62/58/84/178625884.db2.gz PPXVOTARCJBEKR-MQIPJXDCSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c(C)n1 ZINC000360329800 178626829 /nfs/dbraw/zinc/62/68/29/178626829.db2.gz PPXVOTARCJBEKR-XHBSWPGZSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c(C)n1 ZINC000360329947 387263642 /nfs/dbraw/zinc/26/36/42/387263642.db2.gz QELJCYHDONAABM-GFCCVEGCSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c(C)n1 ZINC000360329948 387265344 /nfs/dbraw/zinc/26/53/44/387265344.db2.gz QELJCYHDONAABM-LBPRGKRZSA-N 1 0 246.398 3.566 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360330032 387266562 /nfs/dbraw/zinc/26/65/62/387266562.db2.gz RBRDMHFHRQOTQK-AAEUAGOBSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360330033 356905726 /nfs/dbraw/zinc/90/57/26/356905726.db2.gz RBRDMHFHRQOTQK-DGCLKSJQSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360330034 387265179 /nfs/dbraw/zinc/26/51/79/387265179.db2.gz RBRDMHFHRQOTQK-WCQYABFASA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360330035 356906073 /nfs/dbraw/zinc/90/60/73/356906073.db2.gz RBRDMHFHRQOTQK-YPMHNXCESA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360336171 387266518 /nfs/dbraw/zinc/26/65/18/387266518.db2.gz IXYHFOUHGHNBEI-CYBMUJFWSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000360336172 167893878 /nfs/dbraw/zinc/89/38/78/167893878.db2.gz IXYHFOUHGHNBEI-ZDUSSCGKSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000360337664 176072955 /nfs/dbraw/zinc/07/29/55/176072955.db2.gz SQZFGSYRVPABIF-CYBMUJFWSA-N 1 0 229.367 3.550 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000360337667 177077632 /nfs/dbraw/zinc/07/76/32/177077632.db2.gz SQZFGSYRVPABIF-ZDUSSCGKSA-N 1 0 229.367 3.550 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCCC2(C)C)c(C)n1 ZINC000360340444 387267869 /nfs/dbraw/zinc/26/78/69/387267869.db2.gz ZUHJDQKHOLFSRO-HNNXBMFYSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)c(C)n1 ZINC000360340445 178624438 /nfs/dbraw/zinc/62/44/38/178624438.db2.gz ZUHJDQKHOLFSRO-OAHLLOKOSA-N 1 0 246.398 3.757 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000360345338 387268435 /nfs/dbraw/zinc/26/84/35/387268435.db2.gz LGOVXGROORYOTH-INIZCTEOSA-N 1 0 246.398 3.853 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000360345339 387268080 /nfs/dbraw/zinc/26/80/80/387268080.db2.gz LGOVXGROORYOTH-MRXNPFEDSA-N 1 0 246.398 3.853 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCO2)cc1 ZINC000360434574 387284005 /nfs/dbraw/zinc/28/40/05/387284005.db2.gz ZKLCXZKODBZPDV-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCO2)cc1 ZINC000360434575 387284444 /nfs/dbraw/zinc/28/44/44/387284444.db2.gz ZKLCXZKODBZPDV-IJEWVQPXSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCO2)cc1 ZINC000360434576 178894965 /nfs/dbraw/zinc/89/49/65/178894965.db2.gz ZKLCXZKODBZPDV-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCO2)cc1 ZINC000360434577 387283863 /nfs/dbraw/zinc/28/38/63/387283863.db2.gz ZKLCXZKODBZPDV-YCPHGPKFSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCc2ccncc2)C1 ZINC000360436091 176121377 /nfs/dbraw/zinc/12/13/77/176121377.db2.gz HBAZYJFOVWZBAZ-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCCc2ccncc2)C1 ZINC000360436092 177120459 /nfs/dbraw/zinc/12/04/59/177120459.db2.gz HBAZYJFOVWZBAZ-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCCc2ccncc2)C1 ZINC000360436093 177133954 /nfs/dbraw/zinc/13/39/54/177133954.db2.gz HBAZYJFOVWZBAZ-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCCc2ccncc2)C1 ZINC000360436094 176140401 /nfs/dbraw/zinc/14/04/01/176140401.db2.gz HBAZYJFOVWZBAZ-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCCc2ccncc2)C1 ZINC000360437447 171199491 /nfs/dbraw/zinc/19/94/91/171199491.db2.gz MOEBZRLKBDWNGK-INIZCTEOSA-N 1 0 246.398 3.526 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCCc2ccncc2)C1 ZINC000360437448 387284353 /nfs/dbraw/zinc/28/43/53/387284353.db2.gz MOEBZRLKBDWNGK-MRXNPFEDSA-N 1 0 246.398 3.526 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000360437633 188243192 /nfs/dbraw/zinc/24/31/92/188243192.db2.gz NJGNBCYJSHKVQI-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000360437634 387284775 /nfs/dbraw/zinc/28/47/75/387284775.db2.gz NJGNBCYJSHKVQI-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000360437825 187381353 /nfs/dbraw/zinc/38/13/53/187381353.db2.gz OELMUUBQFHJCAW-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000360437826 387283742 /nfs/dbraw/zinc/28/37/42/387283742.db2.gz OELMUUBQFHJCAW-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)CC[N@H+](CCCc1ccncc1)C1CC1 ZINC000360438072 538862379 /nfs/dbraw/zinc/86/23/79/538862379.db2.gz PQLLQTUARIJQAN-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CCCc2ccncc2)C1 ZINC000360448839 177114931 /nfs/dbraw/zinc/11/49/31/177114931.db2.gz QLFRGFAUPVLDGZ-CABCVRRESA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CCCc2ccncc2)C1 ZINC000360448840 177130000 /nfs/dbraw/zinc/13/00/00/177130000.db2.gz QLFRGFAUPVLDGZ-GJZGRUSLSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CCCc2ccncc2)C1 ZINC000360448841 176114358 /nfs/dbraw/zinc/11/43/58/176114358.db2.gz QLFRGFAUPVLDGZ-HUUCEWRRSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCCc1ccncc1 ZINC000360448842 177115223 /nfs/dbraw/zinc/11/52/23/177115223.db2.gz QLFRGFAUPVLDGZ-LSDHHAIUSA-N 1 0 246.398 3.525 20 0 BHADRO CC1(C)CCC[N@H+](CCCc2ccncc2)CC1 ZINC000360449583 387287225 /nfs/dbraw/zinc/28/72/25/387287225.db2.gz SKNLRRUXZNYVMS-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC(C)[N@H+](CCCc1ccncc1)C1CCCC1 ZINC000360450544 187380968 /nfs/dbraw/zinc/38/09/68/187380968.db2.gz WOTZLHPIPQSUFV-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000360453525 387285847 /nfs/dbraw/zinc/28/58/47/387285847.db2.gz FASWAIOCDZMGAY-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000360453526 387289483 /nfs/dbraw/zinc/28/94/83/387289483.db2.gz FASWAIOCDZMGAY-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CCC1(CC)CC[N@H+](CCCc2ccncc2)C1 ZINC000360455235 387288702 /nfs/dbraw/zinc/28/87/02/387288702.db2.gz MODJYMBRQUYUEQ-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCc2ccncc2)CC1 ZINC000360457620 385177856 /nfs/dbraw/zinc/17/78/56/385177856.db2.gz WIZLMIOPOSRULA-HNNXBMFYSA-N 1 0 246.398 3.526 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCc2ccncc2)CC1 ZINC000360457621 170975206 /nfs/dbraw/zinc/97/52/06/170975206.db2.gz WIZLMIOPOSRULA-OAHLLOKOSA-N 1 0 246.398 3.526 20 0 BHADRO CCC1(C)CC[NH+](CCCc2ccncc2)CC1 ZINC000360457889 387288451 /nfs/dbraw/zinc/28/84/51/387288451.db2.gz WWIZSDCAHXSCKC-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@H](C)C3CC3)cc2c1C ZINC000360481971 177512106 /nfs/dbraw/zinc/51/21/06/177512106.db2.gz ISWSGTJGRBXZDN-GFCCVEGCSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)C3CC3)cc2c1C ZINC000360481972 385202199 /nfs/dbraw/zinc/20/21/99/385202199.db2.gz ISWSGTJGRBXZDN-LBPRGKRZSA-N 1 0 242.366 3.673 20 0 BHADRO CC[C@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000360516115 387302699 /nfs/dbraw/zinc/30/26/99/387302699.db2.gz DAAVSKYTKPTILZ-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000360516117 387302386 /nfs/dbraw/zinc/30/23/86/387302386.db2.gz DAAVSKYTKPTILZ-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360645307 387326756 /nfs/dbraw/zinc/32/67/56/387326756.db2.gz DCRPBYLLKBOAPH-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360645308 387326615 /nfs/dbraw/zinc/32/66/15/387326615.db2.gz DCRPBYLLKBOAPH-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360659205 387331045 /nfs/dbraw/zinc/33/10/45/387331045.db2.gz XMQKMXKOMMUYQG-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360659206 387330465 /nfs/dbraw/zinc/33/04/65/387330465.db2.gz XMQKMXKOMMUYQG-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360662343 356909055 /nfs/dbraw/zinc/90/90/55/356909055.db2.gz GCDKIRVHYBOZHY-CABCVRRESA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360662348 387330156 /nfs/dbraw/zinc/33/01/56/387330156.db2.gz GCDKIRVHYBOZHY-GJZGRUSLSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360662350 167986933 /nfs/dbraw/zinc/98/69/33/167986933.db2.gz GCDKIRVHYBOZHY-HUUCEWRRSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)C[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360662352 387330420 /nfs/dbraw/zinc/33/04/20/387330420.db2.gz GCDKIRVHYBOZHY-LSDHHAIUSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)c1ccccc1 ZINC000360700548 387339749 /nfs/dbraw/zinc/33/97/49/387339749.db2.gz CHBBTYWPVPJTNH-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)c1ccccc1 ZINC000360700549 171536626 /nfs/dbraw/zinc/53/66/26/171536626.db2.gz CHBBTYWPVPJTNH-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)nc2)CCCCC1 ZINC000360711225 644005925 /nfs/dbraw/zinc/00/59/25/644005925.db2.gz DFKHNZVSYBXFPB-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO c1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000360726457 387341747 /nfs/dbraw/zinc/34/17/47/387341747.db2.gz QULFEFLRCBFECK-UHFFFAOYSA-N 1 0 249.357 3.734 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)cn1 ZINC000360729291 538865874 /nfs/dbraw/zinc/86/58/74/538865874.db2.gz OKZOGCHYLXQISV-BBRMVZONSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)cn1 ZINC000360729294 538865778 /nfs/dbraw/zinc/86/57/78/538865778.db2.gz OKZOGCHYLXQISV-CJNGLKHVSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)cn1 ZINC000360729295 538865824 /nfs/dbraw/zinc/86/58/24/538865824.db2.gz OKZOGCHYLXQISV-CZUORRHYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)cn1 ZINC000360729296 538865899 /nfs/dbraw/zinc/86/58/99/538865899.db2.gz OKZOGCHYLXQISV-XJKSGUPXSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000360773277 180221131 /nfs/dbraw/zinc/22/11/31/180221131.db2.gz QSSDXUQSVBWYPF-GUTXKFCHSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000360773278 180220553 /nfs/dbraw/zinc/22/05/53/180220553.db2.gz QSSDXUQSVBWYPF-IPYPFGDCSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360773279 180220687 /nfs/dbraw/zinc/22/06/87/180220687.db2.gz QSSDXUQSVBWYPF-NFAWXSAZSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360773280 180221179 /nfs/dbraw/zinc/22/11/79/180221179.db2.gz QSSDXUQSVBWYPF-YDHLFZDLSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)cn1 ZINC000360773779 585024811 /nfs/dbraw/zinc/02/48/11/585024811.db2.gz URONHGKQUIGDDR-BJJXKVORSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000360773780 585024822 /nfs/dbraw/zinc/02/48/22/585024822.db2.gz URONHGKQUIGDDR-INWMFGNUSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 ZINC000360773781 585024818 /nfs/dbraw/zinc/02/48/18/585024818.db2.gz URONHGKQUIGDDR-NOLJZWGESA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 ZINC000360773782 585024799 /nfs/dbraw/zinc/02/47/99/585024799.db2.gz URONHGKQUIGDDR-XPKDYRNWSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000360782373 387350535 /nfs/dbraw/zinc/35/05/35/387350535.db2.gz OQFBRZSMVROBTN-CFVMTHIKSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360782375 387350102 /nfs/dbraw/zinc/35/01/02/387350102.db2.gz OQFBRZSMVROBTN-QEJZJMRPSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000360782378 179488163 /nfs/dbraw/zinc/48/81/63/179488163.db2.gz OQFBRZSMVROBTN-SNPRPXQTSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360782379 387350841 /nfs/dbraw/zinc/35/08/41/387350841.db2.gz OQFBRZSMVROBTN-YUELXQCFSA-N 1 0 246.398 3.552 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360870678 176214695 /nfs/dbraw/zinc/21/46/95/176214695.db2.gz HWPKISZMCWVREP-DAXOMENPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360870679 176234550 /nfs/dbraw/zinc/23/45/50/176234550.db2.gz HWPKISZMCWVREP-KCXAZCMYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360870680 176233866 /nfs/dbraw/zinc/23/38/66/176233866.db2.gz HWPKISZMCWVREP-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360870681 176213897 /nfs/dbraw/zinc/21/38/97/176213897.db2.gz HWPKISZMCWVREP-WQVCFCJDSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1cc(N2CCC[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000360872065 178116103 /nfs/dbraw/zinc/11/61/03/178116103.db2.gz LQLQYIHYBKGSTK-LLVKDONJSA-N 1 0 244.313 3.671 20 0 BHADRO Cc1cc(N2CCC[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000360872068 178115408 /nfs/dbraw/zinc/11/54/08/178115408.db2.gz LQLQYIHYBKGSTK-NSHDSACASA-N 1 0 244.313 3.671 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccoc1 ZINC000360882336 387361705 /nfs/dbraw/zinc/36/17/05/387361705.db2.gz DEQJJMIQEITBFW-AWEZNQCLSA-N 1 0 243.350 3.590 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccoc1 ZINC000360882337 387362472 /nfs/dbraw/zinc/36/24/72/387362472.db2.gz DEQJJMIQEITBFW-CQSZACIVSA-N 1 0 243.350 3.590 20 0 BHADRO CCCc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000360883774 387361499 /nfs/dbraw/zinc/36/14/99/387361499.db2.gz LUYYYVKIYCGLIC-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO CC1(C)CCC[N@@H+]1CCCc1ccsc1 ZINC000360896520 356912592 /nfs/dbraw/zinc/91/25/92/356912592.db2.gz HCKWNUOUQXUPOG-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CCC[N@H+](CCCc1ccsc1)C1CC1 ZINC000360904567 169156673 /nfs/dbraw/zinc/15/66/73/169156673.db2.gz SVJADKLZMZELHV-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCO2)c1 ZINC000360933718 179197917 /nfs/dbraw/zinc/19/79/17/179197917.db2.gz UTTBFSRLIRYMNF-IJEWVQPXSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCO2)c1 ZINC000360933719 179196415 /nfs/dbraw/zinc/19/64/15/179196415.db2.gz UTTBFSRLIRYMNF-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC000360963434 487608996 /nfs/dbraw/zinc/60/89/96/487608996.db2.gz BVAYUYOARIXLOP-HOTGVXAUSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1nn(C(C)C)cc1C[NH2+]C1CCCCCC1 ZINC000360963710 387375283 /nfs/dbraw/zinc/37/52/83/387375283.db2.gz FVFZPTRATPMZSN-UHFFFAOYSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C)cn1 ZINC000360964428 387376039 /nfs/dbraw/zinc/37/60/39/387376039.db2.gz RMHHUWKCVWASQF-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H]2CC(C)C)cn1 ZINC000360964574 387375271 /nfs/dbraw/zinc/37/52/71/387375271.db2.gz UZEZKECFMJFQAQ-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(C)C)cn1 ZINC000360964575 387375728 /nfs/dbraw/zinc/37/57/28/387375728.db2.gz UZEZKECFMJFQAQ-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C2CCCC2)cn1 ZINC000360965630 387378231 /nfs/dbraw/zinc/37/82/31/387378231.db2.gz HHRZUWOIWIRFRQ-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO c1cc(CCC[NH+]2Cc3ccccc3C2)cs1 ZINC000360965755 387377694 /nfs/dbraw/zinc/37/76/94/387377694.db2.gz JLCDHYFVBODQQD-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO CC[N@H+](CCCc1ccsc1)C1CCC1 ZINC000360966769 387378424 /nfs/dbraw/zinc/37/84/24/387378424.db2.gz UOGYUWHLLKSULO-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CCC1CCC([N@H+](C)Cc2ccc(C)nc2)CC1 ZINC000360967052 387376867 /nfs/dbraw/zinc/37/68/67/387376867.db2.gz UPQPESSXHXAZHC-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC(C)(C)CC2)cn1 ZINC000360967222 387378035 /nfs/dbraw/zinc/37/80/35/387378035.db2.gz WALWXBWTOMVFNO-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000360967255 387378381 /nfs/dbraw/zinc/37/83/81/387378381.db2.gz WNZDRRIQQUPZAE-INIZCTEOSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000360967256 387377741 /nfs/dbraw/zinc/37/77/41/387377741.db2.gz WNZDRRIQQUPZAE-MRXNPFEDSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)cn1 ZINC000360967259 387377004 /nfs/dbraw/zinc/37/70/04/387377004.db2.gz WPRMGRDJJFDUOF-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@@H]([N@H+](C)CCCc1ccsc1)C1(C)CC1 ZINC000360970872 387377915 /nfs/dbraw/zinc/37/79/15/387377915.db2.gz VRGJIBNKHIGDSN-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]([N@H+](C)CCCc1ccsc1)C1(C)CC1 ZINC000360970873 176743484 /nfs/dbraw/zinc/74/34/84/176743484.db2.gz VRGJIBNKHIGDSN-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360973209 387377337 /nfs/dbraw/zinc/37/73/37/387377337.db2.gz ANUFNODASDVRQH-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360973210 387377985 /nfs/dbraw/zinc/37/79/85/387377985.db2.gz ANUFNODASDVRQH-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCCc1ccsc1 ZINC000360973705 177199178 /nfs/dbraw/zinc/19/91/78/177199178.db2.gz ARJZGYCQEKJPIL-RYUDHWBXSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCCc1ccsc1 ZINC000360973706 177186627 /nfs/dbraw/zinc/18/66/27/177186627.db2.gz ARJZGYCQEKJPIL-TXEJJXNPSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCCc1ccsc1 ZINC000360973707 176199995 /nfs/dbraw/zinc/19/99/95/176199995.db2.gz ARJZGYCQEKJPIL-VXGBXAGGSA-N 1 0 223.385 3.554 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCCCC3)cn1 ZINC000360974973 387379177 /nfs/dbraw/zinc/37/91/77/387379177.db2.gz LIAASUJARWMLET-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)cn1 ZINC000360975287 387377949 /nfs/dbraw/zinc/37/79/49/387377949.db2.gz NQPAWVJESAZYLV-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](CC(C)C)C2)cn1 ZINC000360975288 387378074 /nfs/dbraw/zinc/37/80/74/387378074.db2.gz NQPAWVJESAZYLV-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO c1cc(CCC[N@@H+]2CCC3(CCC3)C2)cs1 ZINC000360975494 183335564 /nfs/dbraw/zinc/33/55/64/183335564.db2.gz PEGDWXNJUUZRGL-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO Cc1ccc(C[N@H+]2CC=C(C(C)(C)C)CC2)cn1 ZINC000360983067 387380777 /nfs/dbraw/zinc/38/07/77/387380777.db2.gz LWBXCBPOKFXKCK-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360983588 387379769 /nfs/dbraw/zinc/37/97/69/387379769.db2.gz ORSLGFNKPJXJMD-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360983589 169373095 /nfs/dbraw/zinc/37/30/95/169373095.db2.gz ORSLGFNKPJXJMD-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360983590 169374656 /nfs/dbraw/zinc/37/46/56/169374656.db2.gz ORSLGFNKPJXJMD-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360983591 387380935 /nfs/dbraw/zinc/38/09/35/387380935.db2.gz ORSLGFNKPJXJMD-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccc(C)nc1 ZINC000360983935 168351158 /nfs/dbraw/zinc/35/11/58/168351158.db2.gz OUHFZBAGCJTRAT-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C(C)C)CC2)cn1 ZINC000360984013 387382306 /nfs/dbraw/zinc/38/23/06/387382306.db2.gz PMTNKACMMNVVRO-INIZCTEOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)cn1 ZINC000360984014 387382161 /nfs/dbraw/zinc/38/21/61/387382161.db2.gz PMTNKACMMNVVRO-MRXNPFEDSA-N 1 0 246.398 3.648 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984486 387382148 /nfs/dbraw/zinc/38/21/48/387382148.db2.gz QTFKAAMDBFWRDK-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984488 387382915 /nfs/dbraw/zinc/38/29/15/387382915.db2.gz QTFKAAMDBFWRDK-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984490 387381906 /nfs/dbraw/zinc/38/19/06/387381906.db2.gz QTFKAAMDBFWRDK-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984492 387382738 /nfs/dbraw/zinc/38/27/38/387382738.db2.gz QTFKAAMDBFWRDK-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984861 171381557 /nfs/dbraw/zinc/38/15/57/171381557.db2.gz SDGBSTRSSJJXDY-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984862 387383882 /nfs/dbraw/zinc/38/38/82/387383882.db2.gz SDGBSTRSSJJXDY-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984864 387382283 /nfs/dbraw/zinc/38/22/83/387382283.db2.gz SDGBSTRSSJJXDY-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000360984866 385493491 /nfs/dbraw/zinc/49/34/91/385493491.db2.gz SDGBSTRSSJJXDY-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(C)nc1 ZINC000360984962 387382888 /nfs/dbraw/zinc/38/28/88/387382888.db2.gz SSGDJHGTUSRKSS-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC2CCCCC2)cn1 ZINC000360985754 187381932 /nfs/dbraw/zinc/38/19/32/187381932.db2.gz XPOZSAKEMDCDFB-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2CCC(C)C)cn1 ZINC000360986057 387382932 /nfs/dbraw/zinc/38/29/32/387382932.db2.gz YYFBQSGAYRLNMO-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2CCC(C)C)cn1 ZINC000360986059 387382945 /nfs/dbraw/zinc/38/29/45/387382945.db2.gz YYFBQSGAYRLNMO-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(C)nc1)C1CC1 ZINC000360987765 171361959 /nfs/dbraw/zinc/36/19/59/171361959.db2.gz UHEDMAUKQGNGIC-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(C)nc1)C1CC1 ZINC000360987766 171386172 /nfs/dbraw/zinc/38/61/72/171386172.db2.gz UHEDMAUKQGNGIC-JSGCOSHPSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(C)nc1)C1CC1 ZINC000360987767 170788506 /nfs/dbraw/zinc/78/85/06/170788506.db2.gz UHEDMAUKQGNGIC-OCCSQVGLSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(C)nc1)C1CC1 ZINC000360987768 387382086 /nfs/dbraw/zinc/38/20/86/387382086.db2.gz UHEDMAUKQGNGIC-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](O)CC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000360994025 171560744 /nfs/dbraw/zinc/56/07/44/171560744.db2.gz BBVKBXPDRLOZBS-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@H](O)CC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000360994027 387382362 /nfs/dbraw/zinc/38/23/62/387382362.db2.gz BBVKBXPDRLOZBS-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@H](O)CC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000360994028 356914219 /nfs/dbraw/zinc/91/42/19/356914219.db2.gz BBVKBXPDRLOZBS-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@H](O)CC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000360994029 356914132 /nfs/dbraw/zinc/91/41/32/356914132.db2.gz BBVKBXPDRLOZBS-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360995753 187382619 /nfs/dbraw/zinc/38/26/19/187382619.db2.gz JJHRHTLFAAWXTH-DZGCQCFKSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360995755 167937446 /nfs/dbraw/zinc/93/74/46/167937446.db2.gz JJHRHTLFAAWXTH-HIFRSBDPSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360995757 187555462 /nfs/dbraw/zinc/55/54/62/187555462.db2.gz JJHRHTLFAAWXTH-UKRRQHHQSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360995759 346380359 /nfs/dbraw/zinc/38/03/59/346380359.db2.gz JJHRHTLFAAWXTH-ZFWWWQNUSA-N 1 0 245.366 3.548 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCCCF)C2CCC2)o1 ZINC000360997004 387384429 /nfs/dbraw/zinc/38/44/29/387384429.db2.gz MIQPSSXYPZRBHV-AWEZNQCLSA-N 1 0 239.334 3.769 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCCCF)C2CCC2)o1 ZINC000360997005 387385639 /nfs/dbraw/zinc/38/56/39/387385639.db2.gz MIQPSSXYPZRBHV-CQSZACIVSA-N 1 0 239.334 3.769 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1C[C@@H]1c1ccccc1 ZINC000360998649 387385615 /nfs/dbraw/zinc/38/56/15/387385615.db2.gz QEJBRNLOJQMMEK-AEGPPILISA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1C[C@H]1c1ccccc1 ZINC000360998650 387385186 /nfs/dbraw/zinc/38/51/86/387385186.db2.gz QEJBRNLOJQMMEK-CFVMTHIKSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1C[C@@H]1c1ccccc1 ZINC000360998651 385497519 /nfs/dbraw/zinc/49/75/19/385497519.db2.gz QEJBRNLOJQMMEK-NWANDNLSSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1C[C@H]1c1ccccc1 ZINC000360998652 385498651 /nfs/dbraw/zinc/49/86/51/385498651.db2.gz QEJBRNLOJQMMEK-QEJZJMRPSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc2ccccc2n1 ZINC000360999508 387384821 /nfs/dbraw/zinc/38/48/21/387384821.db2.gz UNKXRCFXHNJYCA-GFCCVEGCSA-N 1 0 246.329 3.635 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc2ccccc2n1 ZINC000360999509 176843328 /nfs/dbraw/zinc/84/33/28/176843328.db2.gz UNKXRCFXHNJYCA-LBPRGKRZSA-N 1 0 246.329 3.635 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]CCCCF)C1 ZINC000361000253 188425609 /nfs/dbraw/zinc/42/56/09/188425609.db2.gz YJMPCAGRKBTSGB-GFCCVEGCSA-N 1 0 239.334 3.632 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]CCCCF)C1 ZINC000361000254 188070698 /nfs/dbraw/zinc/07/06/98/188070698.db2.gz YJMPCAGRKBTSGB-LBPRGKRZSA-N 1 0 239.334 3.632 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1nccc2ccccc21 ZINC000361001262 175874057 /nfs/dbraw/zinc/87/40/57/175874057.db2.gz DWZZKMQUTGSHBP-GFCCVEGCSA-N 1 0 246.329 3.635 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1nccc2ccccc21 ZINC000361001263 387386015 /nfs/dbraw/zinc/38/60/15/387386015.db2.gz DWZZKMQUTGSHBP-LBPRGKRZSA-N 1 0 246.329 3.635 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCF)CCC2 ZINC000361003749 187300954 /nfs/dbraw/zinc/30/09/54/187300954.db2.gz PNEZPQRWPVGLTG-HNNXBMFYSA-N 1 0 235.346 3.712 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCF)CCC2 ZINC000361003750 385505966 /nfs/dbraw/zinc/50/59/66/385505966.db2.gz PNEZPQRWPVGLTG-OAHLLOKOSA-N 1 0 235.346 3.712 20 0 BHADRO FCCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000361004606 387384363 /nfs/dbraw/zinc/38/43/63/387384363.db2.gz ROUQLASRBVRGCH-AWEZNQCLSA-N 1 0 239.309 3.542 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000361004608 387385370 /nfs/dbraw/zinc/38/53/70/387385370.db2.gz ROUQLASRBVRGCH-CQSZACIVSA-N 1 0 239.309 3.542 20 0 BHADRO FCCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000361005069 385502349 /nfs/dbraw/zinc/50/23/49/385502349.db2.gz TYJBJRYNABPWFO-AWEZNQCLSA-N 1 0 239.309 3.542 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000361005070 385501380 /nfs/dbraw/zinc/50/13/80/385501380.db2.gz TYJBJRYNABPWFO-CQSZACIVSA-N 1 0 239.309 3.542 20 0 BHADRO CCc1ncc(C[N@@H+](CC)CC(C)(C)C)s1 ZINC000361008237 188243348 /nfs/dbraw/zinc/24/33/48/188243348.db2.gz DGLZTOQWRLZOJP-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC[N@H+](Cc1ccsc1)CC(C)(C)C ZINC000361011785 356914959 /nfs/dbraw/zinc/91/49/59/356914959.db2.gz VLHGFFRSDOYQDS-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CO[C@@H](C)CC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000361012667 174688982 /nfs/dbraw/zinc/68/89/82/174688982.db2.gz KSXMNLFBYDBPHV-CABCVRRESA-N 1 0 241.419 3.774 20 0 BHADRO CO[C@@H](C)CC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000361012668 387386726 /nfs/dbraw/zinc/38/67/26/387386726.db2.gz KSXMNLFBYDBPHV-GJZGRUSLSA-N 1 0 241.419 3.774 20 0 BHADRO CO[C@H](C)CC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000361012669 387387543 /nfs/dbraw/zinc/38/75/43/387387543.db2.gz KSXMNLFBYDBPHV-HUUCEWRRSA-N 1 0 241.419 3.774 20 0 BHADRO CO[C@H](C)CC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000361012671 174816627 /nfs/dbraw/zinc/81/66/27/174816627.db2.gz KSXMNLFBYDBPHV-LSDHHAIUSA-N 1 0 241.419 3.774 20 0 BHADRO CCc1nc(C[N@@H+](CC)CC(C)(C)C)cs1 ZINC000361015253 356915381 /nfs/dbraw/zinc/91/53/81/356915381.db2.gz AEYXJBSEACDAJE-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CCc1cnc(C[N@@H+](CC)CC(C)(C)C)s1 ZINC000361018128 356915077 /nfs/dbraw/zinc/91/50/77/356915077.db2.gz QSKDKIJCWSOHAR-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Cc1ccsc1C[N@@H+](C)CC1(C)CCC1 ZINC000361018186 387390594 /nfs/dbraw/zinc/39/05/94/387390594.db2.gz QYFSSNCCIWJIJD-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCc2ccsc2)o1 ZINC000361019705 387389191 /nfs/dbraw/zinc/38/91/91/387389191.db2.gz BQGHBABILZWLLU-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO CC(C)[N@H+](CCCc1ccsc1)C1CC1 ZINC000361019886 187382179 /nfs/dbraw/zinc/38/21/79/187382179.db2.gz DNOSTHAGDNFUGX-UHFFFAOYSA-N 1 0 223.385 3.554 20 0 BHADRO CCc1ccc(C[N@@H+](CC)CC(C)(C)C)cn1 ZINC000361020824 387389899 /nfs/dbraw/zinc/38/98/99/387389899.db2.gz AJOXZRYAJSMNOL-UHFFFAOYSA-N 1 0 234.387 3.512 20 0 BHADRO Cc1occc1C[N@H+](C)CCCc1ccsc1 ZINC000361020914 385512762 /nfs/dbraw/zinc/51/27/62/385512762.db2.gz RGSYUTOZIOORCP-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCCc1ccsc1 ZINC000361021943 177048067 /nfs/dbraw/zinc/04/80/67/177048067.db2.gz ZTTYBMJHBJYVQH-GFCCVEGCSA-N 1 0 249.379 3.967 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCCc1ccsc1 ZINC000361021944 176031733 /nfs/dbraw/zinc/03/17/33/176031733.db2.gz ZTTYBMJHBJYVQH-LBPRGKRZSA-N 1 0 249.379 3.967 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000361029164 176072140 /nfs/dbraw/zinc/07/21/40/176072140.db2.gz HZKDZIQXAVJELK-GFCCVEGCSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000361029165 177075570 /nfs/dbraw/zinc/07/55/70/177075570.db2.gz HZKDZIQXAVJELK-LBPRGKRZSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000361037717 177071543 /nfs/dbraw/zinc/07/15/43/177071543.db2.gz MRGOYIJZTWWCSM-JTQLQIEISA-N 1 0 227.735 3.555 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000361037722 176065138 /nfs/dbraw/zinc/06/51/38/176065138.db2.gz MRGOYIJZTWWCSM-SNVBAGLBSA-N 1 0 227.735 3.555 20 0 BHADRO Cc1ccc(C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000361056014 397972588 /nfs/dbraw/zinc/97/25/88/397972588.db2.gz GQHGJOHLNFTEKX-UHFFFAOYSA-N 1 0 246.398 3.616 20 0 BHADRO CCCCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000361061109 397973770 /nfs/dbraw/zinc/97/37/70/397973770.db2.gz YRPUXZKTZZBMFZ-UHFFFAOYSA-N 1 0 246.398 3.760 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000361073579 387398153 /nfs/dbraw/zinc/39/81/53/387398153.db2.gz LJWUXHCGAOOZPI-CYBMUJFWSA-N 1 0 246.398 3.616 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000361073580 171278760 /nfs/dbraw/zinc/27/87/60/171278760.db2.gz LJWUXHCGAOOZPI-ZDUSSCGKSA-N 1 0 246.398 3.616 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000361106190 387401612 /nfs/dbraw/zinc/40/16/12/387401612.db2.gz DQMPDCZMQGBBKD-UHFFFAOYSA-N 1 0 223.319 3.511 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](Cc1cccs1)C2 ZINC000361107442 387401185 /nfs/dbraw/zinc/40/11/85/387401185.db2.gz ALMXGEZGRHPQCX-UHFFFAOYSA-N 1 0 229.348 3.572 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361108391 387400312 /nfs/dbraw/zinc/40/03/12/387400312.db2.gz CDVBSDWPCVIWLD-IOASZLSFSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361108393 387400293 /nfs/dbraw/zinc/40/02/93/387400293.db2.gz CDVBSDWPCVIWLD-WOSRLPQWSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361108395 174845214 /nfs/dbraw/zinc/84/52/14/174845214.db2.gz CDVBSDWPCVIWLD-XJKCOSOUSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361108398 385554101 /nfs/dbraw/zinc/55/41/01/385554101.db2.gz CDVBSDWPCVIWLD-ZENOOKHLSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccsc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361109867 188070706 /nfs/dbraw/zinc/07/07/06/188070706.db2.gz FYHCCVAMBAGSOD-UHFFFAOYSA-N 1 0 243.375 3.881 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](CC1(C)CCC1)C2 ZINC000361111647 387400912 /nfs/dbraw/zinc/40/09/12/387400912.db2.gz ULOOXXPPRVATKN-UHFFFAOYSA-N 1 0 215.340 3.501 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CCC[C@H](C)O ZINC000361112032 387403605 /nfs/dbraw/zinc/40/36/05/387403605.db2.gz WOGPPVWGNRRUHP-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CCC[C@H](C)O ZINC000361112033 387402968 /nfs/dbraw/zinc/40/29/68/387402968.db2.gz WOGPPVWGNRRUHP-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CCC[C@@H](C)O ZINC000361112034 387403347 /nfs/dbraw/zinc/40/33/47/387403347.db2.gz WOGPPVWGNRRUHP-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CCC[C@@H](C)O ZINC000361112035 387402965 /nfs/dbraw/zinc/40/29/65/387402965.db2.gz WOGPPVWGNRRUHP-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO Cc1ccc2c(c1)CN(Cc1ccsc1)C2 ZINC000361114324 387403726 /nfs/dbraw/zinc/40/37/26/387403726.db2.gz RPOOJZMUOBXFRS-UHFFFAOYSA-N 1 0 229.348 3.572 20 0 BHADRO Cc1ccc(C[N@@H+]2Cc3ccc(C)cc3C2)s1 ZINC000361114558 187382314 /nfs/dbraw/zinc/38/23/14/187382314.db2.gz SVNARFPABDTZBU-UHFFFAOYSA-N 1 0 243.375 3.881 20 0 BHADRO CCc1ccc(CN2Cc3ccc(C)cc3C2)o1 ZINC000361115397 387403922 /nfs/dbraw/zinc/40/39/22/387403922.db2.gz XHQXGUOAGQTXCO-UHFFFAOYSA-N 1 0 241.334 3.666 20 0 BHADRO CC1=C(C)C[N@H+](Cc2scnc2C2CC2)CC1 ZINC000361128244 538868250 /nfs/dbraw/zinc/86/82/50/538868250.db2.gz RPKPROHMMVFCES-UHFFFAOYSA-N 1 0 248.395 3.563 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000361137022 168278246 /nfs/dbraw/zinc/27/82/46/168278246.db2.gz UBNNKGORVKLMLM-LLVKDONJSA-N 1 0 238.350 3.698 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000361137023 168276357 /nfs/dbraw/zinc/27/63/57/168276357.db2.gz UBNNKGORVKLMLM-NSHDSACASA-N 1 0 238.350 3.698 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(C)(C)C ZINC000361174471 356918879 /nfs/dbraw/zinc/91/88/79/356918879.db2.gz BWHKJFHDDOIWAJ-BXUZGUMPSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(C)(C)C ZINC000361174472 171539120 /nfs/dbraw/zinc/53/91/20/171539120.db2.gz BWHKJFHDDOIWAJ-FZMZJTMJSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(C)(C)C ZINC000361174473 387410674 /nfs/dbraw/zinc/41/06/74/387410674.db2.gz BWHKJFHDDOIWAJ-RISCZKNCSA-N 1 0 249.402 3.569 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(C)(C)C ZINC000361174474 170908322 /nfs/dbraw/zinc/90/83/22/170908322.db2.gz BWHKJFHDDOIWAJ-SMDDNHRTSA-N 1 0 249.402 3.569 20 0 BHADRO c1[nH+]c(N[C@H]2CCC23CCC3)cc2c1CCCC2 ZINC000361177214 387411306 /nfs/dbraw/zinc/41/13/06/387411306.db2.gz KHIDFQGGCFWGSJ-AWEZNQCLSA-N 1 0 242.366 3.705 20 0 BHADRO c1[nH+]c(N[C@@H]2CCC23CCC3)cc2c1CCCC2 ZINC000361177215 183535924 /nfs/dbraw/zinc/53/59/24/183535924.db2.gz KHIDFQGGCFWGSJ-CQSZACIVSA-N 1 0 242.366 3.705 20 0 BHADRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccco1 ZINC000361184981 387412883 /nfs/dbraw/zinc/41/28/83/387412883.db2.gz ARAIPGVOMPQVOR-LLVKDONJSA-N 1 0 242.322 3.727 20 0 BHADRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccco1 ZINC000361184982 176932023 /nfs/dbraw/zinc/93/20/23/176932023.db2.gz ARAIPGVOMPQVOR-NSHDSACASA-N 1 0 242.322 3.727 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1OC)C(C)C ZINC000361251294 356923429 /nfs/dbraw/zinc/92/34/29/356923429.db2.gz WHQKSJORJAVTLY-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000361261084 387426573 /nfs/dbraw/zinc/42/65/73/387426573.db2.gz IRZSGYKGXCXMDZ-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000361261086 387426966 /nfs/dbraw/zinc/42/69/66/387426966.db2.gz IRZSGYKGXCXMDZ-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000361290071 384355783 /nfs/dbraw/zinc/35/57/83/384355783.db2.gz RSMVARHAWDQWSR-CVEARBPZSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000361290076 384353561 /nfs/dbraw/zinc/35/35/61/384353561.db2.gz RSMVARHAWDQWSR-HOTGVXAUSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361290083 384354169 /nfs/dbraw/zinc/35/41/69/384354169.db2.gz RSMVARHAWDQWSR-HZPDHXFCSA-N 1 0 241.334 3.576 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000361290087 384355169 /nfs/dbraw/zinc/35/51/69/384355169.db2.gz RSMVARHAWDQWSR-JKSUJKDBSA-N 1 0 241.334 3.576 20 0 BHADRO CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000361316047 168188134 /nfs/dbraw/zinc/18/81/34/168188134.db2.gz OBYSCGCDCLQPTH-HNNXBMFYSA-N 1 0 233.330 3.545 20 0 BHADRO CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000361316051 168186138 /nfs/dbraw/zinc/18/61/38/168186138.db2.gz OBYSCGCDCLQPTH-OAHLLOKOSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](O)CCC(C)C)c1ccccc1 ZINC000361320539 356926465 /nfs/dbraw/zinc/92/64/65/356926465.db2.gz IRVOUFFELSRPAN-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](O)CCC(C)C)c1ccccc1 ZINC000361320540 170898351 /nfs/dbraw/zinc/89/83/51/170898351.db2.gz IRVOUFFELSRPAN-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO C[N@H+](Cc1ccoc1)[C@H]1CCc2ccc(F)cc21 ZINC000361321984 387438725 /nfs/dbraw/zinc/43/87/25/387438725.db2.gz RXZSVOISVJKHLG-HNNXBMFYSA-N 1 0 245.297 3.538 20 0 BHADRO C[N@H+](Cc1ccoc1)[C@@H]1CCc2ccc(F)cc21 ZINC000361321985 387440250 /nfs/dbraw/zinc/44/02/50/387440250.db2.gz RXZSVOISVJKHLG-OAHLLOKOSA-N 1 0 245.297 3.538 20 0 BHADRO C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000361324672 176103701 /nfs/dbraw/zinc/10/37/01/176103701.db2.gz IYNFTGUIMWVSNV-ABAIWWIYSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000361324673 176103109 /nfs/dbraw/zinc/10/31/09/176103109.db2.gz IYNFTGUIMWVSNV-IAQYHMDHSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000361324674 177105111 /nfs/dbraw/zinc/10/51/11/177105111.db2.gz IYNFTGUIMWVSNV-NHYWBVRUSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000361324675 177103380 /nfs/dbraw/zinc/10/33/80/177103380.db2.gz IYNFTGUIMWVSNV-XHDPSFHLSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccc(OC)c1 ZINC000361384065 356929771 /nfs/dbraw/zinc/92/97/71/356929771.db2.gz BLEFKEAVEVIMBV-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1cccc(OC)c1 ZINC000361384067 171536499 /nfs/dbraw/zinc/53/64/99/171536499.db2.gz BLEFKEAVEVIMBV-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1cccc(OC)c1 ZINC000361384068 346469930 /nfs/dbraw/zinc/46/99/30/346469930.db2.gz BLEFKEAVEVIMBV-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1cccc(OC)c1 ZINC000361384072 171544307 /nfs/dbraw/zinc/54/43/07/171544307.db2.gz BLEFKEAVEVIMBV-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1 ZINC000361386714 169401816 /nfs/dbraw/zinc/40/18/16/169401816.db2.gz NZJSAWKLBGCGTP-CVEARBPZSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1 ZINC000361386715 169511543 /nfs/dbraw/zinc/51/15/43/169511543.db2.gz NZJSAWKLBGCGTP-HOTGVXAUSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1 ZINC000361386716 388560423 /nfs/dbraw/zinc/56/04/23/388560423.db2.gz NZJSAWKLBGCGTP-HZPDHXFCSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1 ZINC000361386717 388560428 /nfs/dbraw/zinc/56/04/28/388560428.db2.gz NZJSAWKLBGCGTP-JKSUJKDBSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](O)[C@@H](C)CC)c1ccccc1 ZINC000361387497 169511649 /nfs/dbraw/zinc/51/16/49/169511649.db2.gz YCZPFKRURIACCI-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](O)[C@@H](C)CC)c1ccccc1 ZINC000361387498 387452193 /nfs/dbraw/zinc/45/21/93/387452193.db2.gz YCZPFKRURIACCI-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](O)[C@H](C)CC)c1ccccc1 ZINC000361387499 169511452 /nfs/dbraw/zinc/51/14/52/169511452.db2.gz YCZPFKRURIACCI-KBMXLJTQSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](O)[C@H](C)CC)c1ccccc1 ZINC000361387500 387453211 /nfs/dbraw/zinc/45/32/11/387453211.db2.gz YCZPFKRURIACCI-VNQPRFMTSA-N 1 0 249.398 3.524 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000361388227 387452163 /nfs/dbraw/zinc/45/21/63/387452163.db2.gz DIUQFTKYGYENRD-KKUMJFAQSA-N 1 0 229.367 3.520 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000361388228 387453175 /nfs/dbraw/zinc/45/31/75/387453175.db2.gz DIUQFTKYGYENRD-RRFJBIMHSA-N 1 0 229.367 3.520 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000361388229 387452865 /nfs/dbraw/zinc/45/28/65/387452865.db2.gz DIUQFTKYGYENRD-SOUVJXGZSA-N 1 0 229.367 3.520 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000361388230 387451869 /nfs/dbraw/zinc/45/18/69/387451869.db2.gz DIUQFTKYGYENRD-ZNMIVQPWSA-N 1 0 229.367 3.520 20 0 BHADRO c1ccc([C@H]2C[C@@H]2[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000361392215 387454381 /nfs/dbraw/zinc/45/43/81/387454381.db2.gz SEUGKFANIVVSOW-CVEARBPZSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000361392216 387455538 /nfs/dbraw/zinc/45/55/38/387455538.db2.gz SEUGKFANIVVSOW-HOTGVXAUSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@H]2C[C@H]2[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000361392218 387455310 /nfs/dbraw/zinc/45/53/10/387455310.db2.gz SEUGKFANIVVSOW-HZPDHXFCSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@@H]2C[C@H]2[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000361392220 387455484 /nfs/dbraw/zinc/45/54/84/387455484.db2.gz SEUGKFANIVVSOW-JKSUJKDBSA-N 1 0 241.378 3.809 20 0 BHADRO Cc1ccc2c(c1)C[N@H+]([C@H]1C[C@@H]1c1ccccc1)C2 ZINC000361396415 387455143 /nfs/dbraw/zinc/45/51/43/387455143.db2.gz UAOYYPPFEJKKGE-MSOLQXFVSA-N 1 0 249.357 3.867 20 0 BHADRO Cc1ccc2c(c1)C[N@H+]([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000361396420 387454399 /nfs/dbraw/zinc/45/43/99/387454399.db2.gz UAOYYPPFEJKKGE-QZTJIDSGSA-N 1 0 249.357 3.867 20 0 BHADRO Cc1ccc2c(c1)C[N@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000361396423 387454451 /nfs/dbraw/zinc/45/44/51/387454451.db2.gz UAOYYPPFEJKKGE-ROUUACIJSA-N 1 0 249.357 3.867 20 0 BHADRO Cc1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]1c1ccccc1)C2 ZINC000361396425 387453753 /nfs/dbraw/zinc/45/37/53/387453753.db2.gz UAOYYPPFEJKKGE-ZWKOTPCHSA-N 1 0 249.357 3.867 20 0 BHADRO C[N@H+](CC1CCC1)[C@H]1CCc2ccc(F)cc21 ZINC000361398904 387453764 /nfs/dbraw/zinc/45/37/64/387453764.db2.gz BUJAZJGVFXAOMI-HNNXBMFYSA-N 1 0 233.330 3.545 20 0 BHADRO C[N@H+](CC1CCC1)[C@@H]1CCc2ccc(F)cc21 ZINC000361398905 387454829 /nfs/dbraw/zinc/45/48/29/387454829.db2.gz BUJAZJGVFXAOMI-OAHLLOKOSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000361399874 387455501 /nfs/dbraw/zinc/45/55/01/387455501.db2.gz JWZRLCHJIRPRHP-NEPJUHHUSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc2c(c1)COC2 ZINC000361399875 387454494 /nfs/dbraw/zinc/45/44/94/387454494.db2.gz JWZRLCHJIRPRHP-NWDGAFQWSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000361399876 387454033 /nfs/dbraw/zinc/45/40/33/387454033.db2.gz JWZRLCHJIRPRHP-RYUDHWBXSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000361399877 387454836 /nfs/dbraw/zinc/45/48/36/387454836.db2.gz JWZRLCHJIRPRHP-VXGBXAGGSA-N 1 0 245.366 3.556 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1cnccc1C ZINC000361422777 168276848 /nfs/dbraw/zinc/27/68/48/168276848.db2.gz PCACTEPKQRGTRL-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1ccncc1C[N@H+](C)CCCC1CCCC1 ZINC000361425547 187382131 /nfs/dbraw/zinc/38/21/31/187382131.db2.gz NVGVSCRYBUJHSN-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO C[N@H+](CCCc1ccncc1)[C@H]1CCC(C)(C)C1 ZINC000361467099 387466154 /nfs/dbraw/zinc/46/61/54/387466154.db2.gz BBBSVFLHUJMCAT-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO C[N@H+](CCCc1ccncc1)[C@@H]1CCC(C)(C)C1 ZINC000361467103 387467007 /nfs/dbraw/zinc/46/70/07/387467007.db2.gz BBBSVFLHUJMCAT-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(C)n1 ZINC000361469397 387465711 /nfs/dbraw/zinc/46/57/11/387465711.db2.gz MFAQYBKJOZQQEQ-HNNXBMFYSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(C)n1 ZINC000361469398 387465675 /nfs/dbraw/zinc/46/56/75/387465675.db2.gz MFAQYBKJOZQQEQ-OAHLLOKOSA-N 1 0 246.398 3.709 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)CC1CCC1 ZINC000361482321 387470395 /nfs/dbraw/zinc/47/03/95/387470395.db2.gz WTGMLFDFQTVEED-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CN(Cc1ccco1)Cc1ccsc1Cl ZINC000361482809 387469452 /nfs/dbraw/zinc/46/94/52/387469452.db2.gz BJAHYPFKGQKCCC-UHFFFAOYSA-N 1 0 241.743 3.627 20 0 BHADRO CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000361492083 168184061 /nfs/dbraw/zinc/18/40/61/168184061.db2.gz DAUWSPCNLCFCQJ-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000361495763 176073258 /nfs/dbraw/zinc/07/32/58/176073258.db2.gz GVQROTMHXUOMSZ-SECBINFHSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000361495764 177076578 /nfs/dbraw/zinc/07/65/78/177076578.db2.gz GVQROTMHXUOMSZ-VIFPVBQESA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000361497965 176102170 /nfs/dbraw/zinc/10/21/70/176102170.db2.gz QVUPLEYRICUORY-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000361497966 177100992 /nfs/dbraw/zinc/10/09/92/177100992.db2.gz QVUPLEYRICUORY-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccsc1Cl ZINC000361502491 387473569 /nfs/dbraw/zinc/47/35/69/387473569.db2.gz XGMLMRPKIKAAEO-MRVPVSSYSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccsc1Cl ZINC000361502492 387473371 /nfs/dbraw/zinc/47/33/71/387473371.db2.gz XGMLMRPKIKAAEO-QMMMGPOBSA-N 1 0 229.776 3.632 20 0 BHADRO C[N@@H+](Cc1ccsc1Cl)CC1CCC1 ZINC000361509092 387477871 /nfs/dbraw/zinc/47/78/71/387477871.db2.gz SVBNQEZWGWOVNB-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CCC[N@H+](Cc1ccsc1Cl)C1CC1 ZINC000361509327 169179862 /nfs/dbraw/zinc/17/98/62/169179862.db2.gz UJTMFORXXLDEMD-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CC(C)[N@H+](Cc1ccsc1Cl)C1CC1 ZINC000361509699 387477414 /nfs/dbraw/zinc/47/74/14/387477414.db2.gz DMLZUKFGLMBTRI-UHFFFAOYSA-N 1 0 229.776 3.774 20 0 BHADRO CC[N@H+](Cc1ccncc1Cl)CC(C)(C)C ZINC000361519308 356932062 /nfs/dbraw/zinc/93/20/62/356932062.db2.gz NGADEMIVKHFVEK-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1C)CC(C)(C)C ZINC000361519930 169905679 /nfs/dbraw/zinc/90/56/79/169905679.db2.gz RHWSROMVKILZBJ-UHFFFAOYSA-N 1 0 234.387 3.566 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000361542741 188336886 /nfs/dbraw/zinc/33/68/86/188336886.db2.gz GMNCHLYXYMIIEU-JTQLQIEISA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000361542742 384856668 /nfs/dbraw/zinc/85/66/68/384856668.db2.gz GMNCHLYXYMIIEU-SNVBAGLBSA-N 1 0 229.776 3.632 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccsc1Cl ZINC000361542868 387485823 /nfs/dbraw/zinc/48/58/23/387485823.db2.gz HYFYHOIHXWNSDM-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)n1 ZINC000361544654 179077860 /nfs/dbraw/zinc/07/78/60/179077860.db2.gz WLVXPNCQKLFZAC-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000361544655 179073480 /nfs/dbraw/zinc/07/34/80/179073480.db2.gz WLVXPNCQKLFZAC-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1 ZINC000361547460 387485320 /nfs/dbraw/zinc/48/53/20/387485320.db2.gz GCXBIKLVNOJLIS-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000361547461 384868317 /nfs/dbraw/zinc/86/83/17/384868317.db2.gz GCXBIKLVNOJLIS-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CC[N@@H+](Cc1ccsc1Cl)CC1CC1 ZINC000361550701 356932675 /nfs/dbraw/zinc/93/26/75/356932675.db2.gz GRPCOPWMTWRHHG-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC[N@H+](Cc1ccsc1Cl)C1CCC1 ZINC000361551251 346579008 /nfs/dbraw/zinc/57/90/08/346579008.db2.gz VCJYAZQZGCQUHJ-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000361551929 387486637 /nfs/dbraw/zinc/48/66/37/387486637.db2.gz XTUQVILHXCDITF-JTQLQIEISA-N 1 0 229.776 3.776 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000361551930 356932712 /nfs/dbraw/zinc/93/27/12/356932712.db2.gz XTUQVILHXCDITF-SNVBAGLBSA-N 1 0 229.776 3.776 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccsc1Cl ZINC000361552245 356932539 /nfs/dbraw/zinc/93/25/39/356932539.db2.gz KBXMNAWUIAFCRN-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccsc1Cl ZINC000361556549 177187237 /nfs/dbraw/zinc/18/72/37/177187237.db2.gz IGRGRBPGJTUKLB-DTORHVGOSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccsc1Cl ZINC000361556550 177200243 /nfs/dbraw/zinc/20/02/43/177200243.db2.gz IGRGRBPGJTUKLB-IUCAKERBSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccsc1Cl ZINC000361556551 176200487 /nfs/dbraw/zinc/20/04/87/176200487.db2.gz IGRGRBPGJTUKLB-RKDXNWHRSA-N 1 0 229.776 3.774 20 0 BHADRO Clc1sccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000361556873 387487908 /nfs/dbraw/zinc/48/79/08/387487908.db2.gz MDNXDHVPQJKLGV-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361558861 346584021 /nfs/dbraw/zinc/58/40/21/346584021.db2.gz YWFRNADRXKFPGO-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccsc1Cl ZINC000361575410 177166643 /nfs/dbraw/zinc/16/66/43/177166643.db2.gz BMLXESIHNZXKKS-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccsc2Cl)[C@H]1C ZINC000361575412 177167523 /nfs/dbraw/zinc/16/75/23/177167523.db2.gz BMLXESIHNZXKKS-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccsc2Cl)[C@@H]1C ZINC000361575413 176177586 /nfs/dbraw/zinc/17/75/86/176177586.db2.gz BMLXESIHNZXKKS-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO CC/C=C\CC[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361584309 387502850 /nfs/dbraw/zinc/50/28/50/387502850.db2.gz DWROASGOVRGPMY-PLNGDYQASA-N 1 0 215.340 3.667 20 0 BHADRO CC/C=C/CC[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361584310 387500592 /nfs/dbraw/zinc/50/05/92/387500592.db2.gz DWROASGOVRGPMY-SNAWJCMRSA-N 1 0 215.340 3.667 20 0 BHADRO c1ccc(CCC[NH2+]CCC2CCCCC2)nc1 ZINC000361592081 183391851 /nfs/dbraw/zinc/39/18/51/183391851.db2.gz AKHJCRLRNGMRJS-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO Clc1sccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000361592304 387504339 /nfs/dbraw/zinc/50/43/39/387504339.db2.gz BPPLIIOUJYNQDS-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000361637108 385059802 /nfs/dbraw/zinc/05/98/02/385059802.db2.gz JMMWTQPARYVXIE-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO CC[N@H+](CCCF)Cc1ccc(Cl)cc1 ZINC000361637527 387512863 /nfs/dbraw/zinc/51/28/63/387512863.db2.gz KKVQGWGMZMYYBP-UHFFFAOYSA-N 1 0 229.726 3.522 20 0 BHADRO C[N@H+](CCCF)Cc1ccc2ccccc2c1 ZINC000361639650 385063179 /nfs/dbraw/zinc/06/31/79/385063179.db2.gz PRGKIFNQSDRBEK-UHFFFAOYSA-N 1 0 231.314 3.631 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2ccccn2)CC1 ZINC000361642252 387516282 /nfs/dbraw/zinc/51/62/82/387516282.db2.gz IHFPXQOMYLVFJG-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2ccncc2)CC1 ZINC000361643245 387516886 /nfs/dbraw/zinc/51/68/86/387516886.db2.gz MBIHQWMSWBLCRV-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[N@H+](CCCF)Cc1ccccc1 ZINC000361645070 356935502 /nfs/dbraw/zinc/93/55/02/356935502.db2.gz BYCAPVCCUCLNPK-UHFFFAOYSA-N 1 0 223.335 3.504 20 0 BHADRO C[N@H+](CCCC1CCCC1)Cc1ccoc1 ZINC000361645871 387516591 /nfs/dbraw/zinc/51/65/91/387516591.db2.gz TZQIVASOBBXDTD-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC000361648536 387518533 /nfs/dbraw/zinc/51/85/33/387518533.db2.gz SCGDRNFOOLASAS-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC[N@H+](Cc1cc(OC)ccc1Cl)C(C)C ZINC000361691296 356936455 /nfs/dbraw/zinc/93/64/55/356936455.db2.gz CIIDNNUTPXLJTN-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccco2)o1 ZINC000361714111 387525514 /nfs/dbraw/zinc/52/55/14/387525514.db2.gz NBULHFKFHLCVKU-AAEUAGOBSA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccco2)o1 ZINC000361714112 387525330 /nfs/dbraw/zinc/52/53/30/387525330.db2.gz NBULHFKFHLCVKU-DGCLKSJQSA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccco2)o1 ZINC000361714113 387524730 /nfs/dbraw/zinc/52/47/30/387524730.db2.gz NBULHFKFHLCVKU-WCQYABFASA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccco2)o1 ZINC000361714114 188071814 /nfs/dbraw/zinc/07/18/14/188071814.db2.gz NBULHFKFHLCVKU-YPMHNXCESA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccsc1)C2 ZINC000361724185 188071941 /nfs/dbraw/zinc/07/19/41/188071941.db2.gz BAHPBQGXVYXNPT-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCCCC2)cn1 ZINC000361729569 538871975 /nfs/dbraw/zinc/87/19/75/538871975.db2.gz OXBPLYLIAAJZHP-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO Cc1ccc2c(c1)CC[N@@H+](Cc1cccs1)C2 ZINC000361735673 187383229 /nfs/dbraw/zinc/38/32/29/187383229.db2.gz TXAQVZSGHJXOJF-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000361806247 387538147 /nfs/dbraw/zinc/53/81/47/387538147.db2.gz GINIRRQAIINMJN-BMFZPTHFSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccccc1 ZINC000361806248 387537600 /nfs/dbraw/zinc/53/76/00/387537600.db2.gz GINIRRQAIINMJN-FVQBIDKESA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000361806249 385286473 /nfs/dbraw/zinc/28/64/73/385286473.db2.gz GINIRRQAIINMJN-IMJJTQAJSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccccc1 ZINC000361806250 385285704 /nfs/dbraw/zinc/28/57/04/385285704.db2.gz GINIRRQAIINMJN-NUEKZKHPSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(C)cc1 ZINC000361806616 170900508 /nfs/dbraw/zinc/90/05/08/170900508.db2.gz KUHOYPZXAJVVPG-CVEARBPZSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(C)cc1 ZINC000361806617 384818912 /nfs/dbraw/zinc/81/89/12/384818912.db2.gz KUHOYPZXAJVVPG-HOTGVXAUSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(C)cc1 ZINC000361806618 384818757 /nfs/dbraw/zinc/81/87/57/384818757.db2.gz KUHOYPZXAJVVPG-HZPDHXFCSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(C)cc1 ZINC000361806619 171524975 /nfs/dbraw/zinc/52/49/75/171524975.db2.gz KUHOYPZXAJVVPG-JKSUJKDBSA-N 1 0 249.398 3.707 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccccc1 ZINC000361806926 384819507 /nfs/dbraw/zinc/81/95/07/384819507.db2.gz PVHZNNIQHCAILC-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccccc1 ZINC000361806927 384820665 /nfs/dbraw/zinc/82/06/65/384820665.db2.gz PVHZNNIQHCAILC-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccccc1 ZINC000361806928 384819381 /nfs/dbraw/zinc/81/93/81/384819381.db2.gz PVHZNNIQHCAILC-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccccc1 ZINC000361806929 169510862 /nfs/dbraw/zinc/51/08/62/169510862.db2.gz PVHZNNIQHCAILC-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO c1csc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000361831338 387540401 /nfs/dbraw/zinc/54/04/01/387540401.db2.gz VPBSZRIGYAVEFM-AWEZNQCLSA-N 1 0 229.348 3.695 20 0 BHADRO c1csc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000361831339 387540426 /nfs/dbraw/zinc/54/04/26/387540426.db2.gz VPBSZRIGYAVEFM-CQSZACIVSA-N 1 0 229.348 3.695 20 0 BHADRO Cc1nn(C(C)C)cc1C[NH2+]C1(C)CCCCC1 ZINC000361895356 187731439 /nfs/dbraw/zinc/73/14/39/187731439.db2.gz WLQTUWQWVIXJHS-UHFFFAOYSA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000361924099 387551900 /nfs/dbraw/zinc/55/19/00/387551900.db2.gz GAKMANJZKVOJCE-BBRMVZONSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccoc1)c1ccccc1 ZINC000361924102 387552413 /nfs/dbraw/zinc/55/24/13/387552413.db2.gz GAKMANJZKVOJCE-CJNGLKHVSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccoc1)c1ccccc1 ZINC000361924103 356939350 /nfs/dbraw/zinc/93/93/50/356939350.db2.gz GAKMANJZKVOJCE-CZUORRHYSA-N 1 0 243.350 3.952 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000361924104 170908227 /nfs/dbraw/zinc/90/82/27/170908227.db2.gz GAKMANJZKVOJCE-XJKSGUPXSA-N 1 0 243.350 3.952 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361924203 387551573 /nfs/dbraw/zinc/55/15/73/387551573.db2.gz GARWRXSENAHSCB-ABCZVMIZSA-N 1 0 245.366 3.716 20 0 BHADRO CC/C=C\CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361924204 387552815 /nfs/dbraw/zinc/55/28/15/387552815.db2.gz GARWRXSENAHSCB-JZIMQPMSSA-N 1 0 245.366 3.716 20 0 BHADRO COC1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000361925464 174021437 /nfs/dbraw/zinc/02/14/37/174021437.db2.gz OTNBEXFMXRBKDR-HLIUYOAVSA-N 1 0 247.382 3.542 20 0 BHADRO COC1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000361925467 174021848 /nfs/dbraw/zinc/02/18/48/174021848.db2.gz OTNBEXFMXRBKDR-VQCLRJIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1ccccc1 ZINC000361926468 387551663 /nfs/dbraw/zinc/55/16/63/387551663.db2.gz KJKIIVPFGKLJFD-CHWSQXEVSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccccc1 ZINC000361926502 387552664 /nfs/dbraw/zinc/55/26/64/387552664.db2.gz KJKIIVPFGKLJFD-OLZOCXBDSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000361926503 387551619 /nfs/dbraw/zinc/55/16/19/387551619.db2.gz KJKIIVPFGKLJFD-QWHCGFSZSA-N 1 0 229.323 3.561 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccccc1 ZINC000361926504 175776787 /nfs/dbraw/zinc/77/67/87/175776787.db2.gz KJKIIVPFGKLJFD-STQMWFEESA-N 1 0 229.323 3.561 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccc(C)cc1 ZINC000361943490 387554594 /nfs/dbraw/zinc/55/45/94/387554594.db2.gz BRDGHVCFYWRRRD-KKUMJFAQSA-N 1 0 249.423 3.930 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccc(C)cc1 ZINC000361943495 171542416 /nfs/dbraw/zinc/54/24/16/171542416.db2.gz BRDGHVCFYWRRRD-RRFJBIMHSA-N 1 0 249.423 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccc(C)cc1 ZINC000361943496 171549463 /nfs/dbraw/zinc/54/94/63/171549463.db2.gz BRDGHVCFYWRRRD-SOUVJXGZSA-N 1 0 249.423 3.930 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccc(C)cc1 ZINC000361943497 171542727 /nfs/dbraw/zinc/54/27/27/171542727.db2.gz BRDGHVCFYWRRRD-ZNMIVQPWSA-N 1 0 249.423 3.930 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000361944567 387554430 /nfs/dbraw/zinc/55/44/30/387554430.db2.gz ILUKWYYQQDZTHT-QLFBSQMISA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000361944568 387554106 /nfs/dbraw/zinc/55/41/06/387554106.db2.gz ILUKWYYQQDZTHT-RBSFLKMASA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000361944569 387553550 /nfs/dbraw/zinc/55/35/50/387553550.db2.gz ILUKWYYQQDZTHT-RRFJBIMHSA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000361944570 387553614 /nfs/dbraw/zinc/55/36/14/387553614.db2.gz ILUKWYYQQDZTHT-SOUVJXGZSA-N 1 0 247.407 3.548 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000361979830 356939965 /nfs/dbraw/zinc/93/99/65/356939965.db2.gz BUMUOPPPXUJHKD-NFAWXSAZSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000361979831 171002418 /nfs/dbraw/zinc/00/24/18/171002418.db2.gz BUMUOPPPXUJHKD-UMVBOHGHSA-N 1 0 249.402 3.693 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000361983010 387557379 /nfs/dbraw/zinc/55/73/79/387557379.db2.gz SNVPQXKZKSPWMK-GFCCVEGCSA-N 1 0 249.423 3.995 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000361983011 175572246 /nfs/dbraw/zinc/57/22/46/175572246.db2.gz SNVPQXKZKSPWMK-LBPRGKRZSA-N 1 0 249.423 3.995 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC2CCC1CC2 ZINC000361999401 387560166 /nfs/dbraw/zinc/56/01/66/387560166.db2.gz XJEFODUATRWFFZ-UHFFFAOYSA-N 1 0 235.293 3.593 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000362029431 397979148 /nfs/dbraw/zinc/97/91/48/397979148.db2.gz SZXWRAUJCKHUGB-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000362029432 397979295 /nfs/dbraw/zinc/97/92/95/397979295.db2.gz SZXWRAUJCKHUGB-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1ccc(C)n1C1CC[NH+](CC2CCC2)CC1 ZINC000362169411 387579875 /nfs/dbraw/zinc/57/98/75/387579875.db2.gz HBYTXPUUUNGFFQ-UHFFFAOYSA-N 1 0 246.398 3.542 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000362259754 387590337 /nfs/dbraw/zinc/59/03/37/387590337.db2.gz UXRRQMFNGMOFGR-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000362259755 387590998 /nfs/dbraw/zinc/59/09/98/387590998.db2.gz UXRRQMFNGMOFGR-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO c1oc2ccccc2c1C[NH+]1CC2(C1)CCCC2 ZINC000362307786 387595206 /nfs/dbraw/zinc/59/52/06/387595206.db2.gz AKJJSGWCIQVXOI-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO c1cc2c(cccc2C[NH+]2CC3(C2)CCCC3)[nH]1 ZINC000362308341 183340332 /nfs/dbraw/zinc/34/03/32/183340332.db2.gz HUTDCLNMCNTVDL-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO c1cc2cccc(C[NH+]3CC4(C3)CCCC4)c2[nH]1 ZINC000362323923 183339023 /nfs/dbraw/zinc/33/90/23/183339023.db2.gz OEYHPASHUQKYDH-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000362384496 387606493 /nfs/dbraw/zinc/60/64/93/387606493.db2.gz GQASPILYKRYDMZ-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO C[N@H+](Cc1ccco1)C1CC(c2ccccc2)C1 ZINC000362385639 387605567 /nfs/dbraw/zinc/60/55/67/387605567.db2.gz DGNIQXFTNKOSKX-UHFFFAOYSA-N 1 0 241.334 3.658 20 0 BHADRO CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000362431243 169206832 /nfs/dbraw/zinc/20/68/32/169206832.db2.gz RXHAEASJNIIXLD-AAEUAGOBSA-N 1 0 221.344 3.771 20 0 BHADRO CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362431247 169204705 /nfs/dbraw/zinc/20/47/05/169204705.db2.gz RXHAEASJNIIXLD-DGCLKSJQSA-N 1 0 221.344 3.771 20 0 BHADRO CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362431250 169207519 /nfs/dbraw/zinc/20/75/19/169207519.db2.gz RXHAEASJNIIXLD-WCQYABFASA-N 1 0 221.344 3.771 20 0 BHADRO CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000362431253 169205338 /nfs/dbraw/zinc/20/53/38/169205338.db2.gz RXHAEASJNIIXLD-YPMHNXCESA-N 1 0 221.344 3.771 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c(C)s1 ZINC000362443180 178007877 /nfs/dbraw/zinc/00/78/77/178007877.db2.gz YFMKADATXHSCGM-GHMZBOCLSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000362443181 178007881 /nfs/dbraw/zinc/00/78/81/178007881.db2.gz YFMKADATXHSCGM-MNOVXSKESA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(C)s1 ZINC000362443182 178005075 /nfs/dbraw/zinc/00/50/75/178005075.db2.gz YFMKADATXHSCGM-QWRGUYRKSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(C)s1 ZINC000362443183 178005610 /nfs/dbraw/zinc/00/56/10/178005610.db2.gz YFMKADATXHSCGM-WDEREUQCSA-N 1 0 237.412 3.985 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000362446964 387614220 /nfs/dbraw/zinc/61/42/20/387614220.db2.gz JGPMHUNWXLORIP-INIZCTEOSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000362446965 387614324 /nfs/dbraw/zinc/61/43/24/387614324.db2.gz JGPMHUNWXLORIP-MRXNPFEDSA-N 1 0 246.398 3.792 20 0 BHADRO C[C@H]1CC[N@H+](CCC2CC2)[C@@H](c2ccco2)C1 ZINC000362447905 177158213 /nfs/dbraw/zinc/15/82/13/177158213.db2.gz LYQWAAWSZDQMRX-GXTWGEPZSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@H]1CC[N@H+](CCC2CC2)[C@H](c2ccco2)C1 ZINC000362447921 177158942 /nfs/dbraw/zinc/15/89/42/177158942.db2.gz LYQWAAWSZDQMRX-JSGCOSHPSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@H](c2ccco2)C1 ZINC000362447924 176168687 /nfs/dbraw/zinc/16/86/87/176168687.db2.gz LYQWAAWSZDQMRX-OCCSQVGLSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@@H](c2ccco2)C1 ZINC000362447926 176169100 /nfs/dbraw/zinc/16/91/00/176169100.db2.gz LYQWAAWSZDQMRX-TZMCWYRMSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC000362448471 176109782 /nfs/dbraw/zinc/10/97/82/176109782.db2.gz MZFKXKJOCOYBDB-DOMZBBRYSA-N 1 0 215.340 3.548 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000362448476 176110739 /nfs/dbraw/zinc/11/07/39/176110739.db2.gz MZFKXKJOCOYBDB-IUODEOHRSA-N 1 0 215.340 3.548 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000362448477 177111765 /nfs/dbraw/zinc/11/17/65/177111765.db2.gz MZFKXKJOCOYBDB-SWLSCSKDSA-N 1 0 215.340 3.548 20 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BHADRO CSCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000362462857 175479611 /nfs/dbraw/zinc/47/96/11/175479611.db2.gz CBHYDUABUAHFQE-ZDUSSCGKSA-N 1 0 237.412 3.741 20 0 BHADRO CSCCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000362464360 387616883 /nfs/dbraw/zinc/61/68/83/387616883.db2.gz NILOYQWYRPLQRN-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000362465960 387616119 /nfs/dbraw/zinc/61/61/19/387616119.db2.gz WTXNHTMCWFRLQG-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000362465962 387615716 /nfs/dbraw/zinc/61/57/16/387615716.db2.gz WTXNHTMCWFRLQG-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CSCCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000362466783 387615476 /nfs/dbraw/zinc/61/54/76/387615476.db2.gz ZUBCIIJNDAAMNL-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCCSC)C1CC1 ZINC000362466785 387616264 /nfs/dbraw/zinc/61/62/64/387616264.db2.gz ZXGHONXOPAROBD-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCCSC)C1CC1 ZINC000362466786 171362242 /nfs/dbraw/zinc/36/22/42/171362242.db2.gz ZXGHONXOPAROBD-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCCSC)C1CC1 ZINC000362466787 171385892 /nfs/dbraw/zinc/38/58/92/171385892.db2.gz ZXGHONXOPAROBD-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCCSC)C1CC1 ZINC000362466788 387617221 /nfs/dbraw/zinc/61/72/21/387617221.db2.gz ZXGHONXOPAROBD-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO CSCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000362481202 387617927 /nfs/dbraw/zinc/61/79/27/387617927.db2.gz DDEREGXLBIJIFV-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000362482365 387619108 /nfs/dbraw/zinc/61/91/08/387619108.db2.gz CYEYMJYYSMJPNP-AWEZNQCLSA-N 1 0 239.428 3.562 20 0 BHADRO CSCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000362482370 387618445 /nfs/dbraw/zinc/61/84/45/387618445.db2.gz CYEYMJYYSMJPNP-CQSZACIVSA-N 1 0 239.428 3.562 20 0 BHADRO CCC1(CC)CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000362507303 387620290 /nfs/dbraw/zinc/62/02/90/387620290.db2.gz DRRDECIBIOFERY-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CCC1(CC)CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000362509240 387623516 /nfs/dbraw/zinc/62/35/16/387623516.db2.gz IJXLRSACNXHLIH-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Fc1cc(Cl)cc(CN2CCC23CCC3)c1 ZINC000362511392 387623219 /nfs/dbraw/zinc/62/32/19/387623219.db2.gz NGTPGSYWKSLGJR-UHFFFAOYSA-N 1 0 239.721 3.608 20 0 BHADRO CCC1(CC)CC[NH+](Cc2ccco2)CC1 ZINC000362512338 387622988 /nfs/dbraw/zinc/62/29/88/387622988.db2.gz QHVRHUMOHKQRRF-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO CCC1(CC)CC[NH+](CCCSC)CC1 ZINC000362577377 387634508 /nfs/dbraw/zinc/63/45/08/387634508.db2.gz AIMCCCSPKKZUKB-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CC(C)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362578436 387633830 /nfs/dbraw/zinc/63/38/30/387633830.db2.gz DYKQKQLHQYDDEU-UHFFFAOYSA-N 1 0 239.309 3.553 20 0 BHADRO CCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362588829 169191313 /nfs/dbraw/zinc/19/13/13/169191313.db2.gz MGYZPKUATILFEJ-UHFFFAOYSA-N 1 0 239.309 3.554 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000362597467 387637729 /nfs/dbraw/zinc/63/77/29/387637729.db2.gz XTWKBVHCCNVIFM-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO c1cc(C2CC[NH+](CCC3CC3)CC2)cs1 ZINC000362600102 183337030 /nfs/dbraw/zinc/33/70/30/183337030.db2.gz FLPMGUQLMOULQD-UHFFFAOYSA-N 1 0 235.396 3.728 20 0 BHADRO CCCC[NH+]1CCC(c2ccsc2)CC1 ZINC000362601305 168829134 /nfs/dbraw/zinc/82/91/34/168829134.db2.gz IMHACYHNASTRFY-UHFFFAOYSA-N 1 0 223.385 3.728 20 0 BHADRO Cc1cc(N2CCC=C(F)C2)c2ccccc2[nH+]1 ZINC000362642022 132281616 /nfs/dbraw/zinc/28/16/16/132281616.db2.gz GTBAAABDUWMGGH-UHFFFAOYSA-N 1 0 242.297 3.607 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC=C(F)C3)c2c1 ZINC000362649272 132281883 /nfs/dbraw/zinc/28/18/83/132281883.db2.gz PKWSOCAIGYOEPJ-UHFFFAOYSA-N 1 0 242.297 3.607 20 0 BHADRO c1cc(C2CC[NH+](CC3CCC3)CC2)cs1 ZINC000362655485 183335738 /nfs/dbraw/zinc/33/57/38/183335738.db2.gz IWZUSFYGVJKIHT-UHFFFAOYSA-N 1 0 235.396 3.728 20 0 BHADRO Cc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362912614 179281482 /nfs/dbraw/zinc/28/14/82/179281482.db2.gz HHQKMQZTKZOLDZ-UHFFFAOYSA-N 1 0 229.367 3.807 20 0 BHADRO COc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362912710 175262957 /nfs/dbraw/zinc/26/29/57/175262957.db2.gz IIDFMZUMWNIWSZ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Fc1ccccc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000362913073 181011376 /nfs/dbraw/zinc/01/13/76/181011376.db2.gz KRQFODUHIQWLJI-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362913942 387671400 /nfs/dbraw/zinc/67/14/00/387671400.db2.gz QKEFLDFMXWWUOJ-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362913943 384994326 /nfs/dbraw/zinc/99/43/26/384994326.db2.gz QKEFLDFMXWWUOJ-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO Fc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362914642 387671879 /nfs/dbraw/zinc/67/18/79/387671879.db2.gz VMMJNRQYDLSHIA-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO c1ccc(CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362919237 183392975 /nfs/dbraw/zinc/39/29/75/183392975.db2.gz RPXPEYRCJBDCLO-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO Fc1cccc(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362921230 387671736 /nfs/dbraw/zinc/67/17/36/387671736.db2.gz AXUWRWWADWGSEK-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CC3)CC2)ccc1F ZINC000362923216 178018983 /nfs/dbraw/zinc/01/89/83/178018983.db2.gz IYBOITGTWFHTQZ-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO COc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362923242 175329227 /nfs/dbraw/zinc/32/92/27/175329227.db2.gz JEUHKJMNZSSLMC-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1F ZINC000362923624 387671883 /nfs/dbraw/zinc/67/18/83/387671883.db2.gz LARIYDGDRUZHNB-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO COc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362924809 175105735 /nfs/dbraw/zinc/10/57/35/175105735.db2.gz ADBZZLLZDZYVEA-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO FC1(F)CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362924896 180916219 /nfs/dbraw/zinc/91/62/19/180916219.db2.gz QMUAUFWUXUFPRD-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO CCCCOCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362925127 384996221 /nfs/dbraw/zinc/99/62/21/384996221.db2.gz RCUQODPGLNTILK-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Fc1ccc(CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362925807 387673489 /nfs/dbraw/zinc/67/34/89/387673489.db2.gz VESRRRATCIYDST-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362925838 180967642 /nfs/dbraw/zinc/96/76/42/180967642.db2.gz VQAUSHODOQERSB-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO CCC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362926990 387675258 /nfs/dbraw/zinc/67/52/58/387675258.db2.gz FOAHJSSRFVKKBE-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCC1 ZINC000362927935 168042380 /nfs/dbraw/zinc/04/23/80/168042380.db2.gz NEMOOYYWCOLBOQ-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO Fc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362929687 181011132 /nfs/dbraw/zinc/01/11/32/181011132.db2.gz GKSZLHJDENNJAU-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362929970 387673923 /nfs/dbraw/zinc/67/39/23/387673923.db2.gz ILOUKXDKMKXBTA-UHFFFAOYSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362930728 179089820 /nfs/dbraw/zinc/08/98/20/179089820.db2.gz NJEKBJMYEWPIAQ-UHFFFAOYSA-N 1 0 229.367 3.807 20 0 BHADRO CC(C)OCCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362932553 167207543 /nfs/dbraw/zinc/20/75/43/167207543.db2.gz WWPPWUYIHULBDO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C([NH2+]C1CCC2(CC2)CC1)C1(C2CC2)CCC1 ZINC000362932657 387675041 /nfs/dbraw/zinc/67/50/41/387675041.db2.gz XXXGZOOAYNNNEP-UHFFFAOYSA-N 1 0 233.399 3.879 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362950151 387676879 /nfs/dbraw/zinc/67/68/79/387676879.db2.gz YISJYVYJYLNMFE-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362950152 169373163 /nfs/dbraw/zinc/37/31/63/169373163.db2.gz YISJYVYJYLNMFE-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362950153 169374563 /nfs/dbraw/zinc/37/45/63/169374563.db2.gz YISJYVYJYLNMFE-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362950154 387677878 /nfs/dbraw/zinc/67/78/78/387677878.db2.gz YISJYVYJYLNMFE-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H]2CCC(C)C)n1 ZINC000362950364 179077306 /nfs/dbraw/zinc/07/73/06/179077306.db2.gz BIGPVBACGZJYGS-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H]2CCC(C)C)n1 ZINC000362950365 179077560 /nfs/dbraw/zinc/07/75/60/179077560.db2.gz BIGPVBACGZJYGS-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000362953909 387677680 /nfs/dbraw/zinc/67/76/80/387677680.db2.gz DMATXLQIPJCOEF-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000362953910 387676338 /nfs/dbraw/zinc/67/63/38/387676338.db2.gz DMATXLQIPJCOEF-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC000362955458 387680582 /nfs/dbraw/zinc/68/05/82/387680582.db2.gz QUZVMGKQQPZUDK-CYBMUJFWSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC000362955459 387679387 /nfs/dbraw/zinc/67/93/87/387679387.db2.gz QUZVMGKQQPZUDK-ZDUSSCGKSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362962733 387680675 /nfs/dbraw/zinc/68/06/75/387680675.db2.gz GJBXVAADBJSHFK-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000362962734 387679161 /nfs/dbraw/zinc/67/91/61/387679161.db2.gz GJBXVAADBJSHFK-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000362974754 388561412 /nfs/dbraw/zinc/56/14/12/388561412.db2.gz BRHYQJMFGDYZRW-BPUTZDHNSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000362974755 171525515 /nfs/dbraw/zinc/52/55/15/171525515.db2.gz BRHYQJMFGDYZRW-CWRNSKLLSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000362974756 171528221 /nfs/dbraw/zinc/52/82/21/171528221.db2.gz BRHYQJMFGDYZRW-KBMXLJTQSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+][C@@H](CC)c1ccccc1)OC ZINC000362974757 388561777 /nfs/dbraw/zinc/56/17/77/388561777.db2.gz BRHYQJMFGDYZRW-VNQPRFMTSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(C)(C)C)no1 ZINC000362987765 178266726 /nfs/dbraw/zinc/26/67/26/178266726.db2.gz ZMUPBHJQFLGZIH-CYBMUJFWSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(C)(C)C)no1 ZINC000362987766 178240795 /nfs/dbraw/zinc/24/07/95/178240795.db2.gz ZMUPBHJQFLGZIH-ZDUSSCGKSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC2CCCC2)no1 ZINC000363254518 178241219 /nfs/dbraw/zinc/24/12/19/178241219.db2.gz HHFZNSFFRHTODR-HNNXBMFYSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CCC2CCCC2)no1 ZINC000363254519 178266587 /nfs/dbraw/zinc/26/65/87/178266587.db2.gz HHFZNSFFRHTODR-OAHLLOKOSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cnc([C@H]2CCCC[N@H+]2CC(C)C)s1 ZINC000363472550 384585008 /nfs/dbraw/zinc/58/50/08/384585008.db2.gz RJOAOHALQOWIKI-GFCCVEGCSA-N 1 0 238.400 3.635 20 0 BHADRO Cc1cnc([C@@H]2CCCC[N@H+]2CC(C)C)s1 ZINC000363472551 384586943 /nfs/dbraw/zinc/58/69/43/384586943.db2.gz RJOAOHALQOWIKI-LBPRGKRZSA-N 1 0 238.400 3.635 20 0 BHADRO CC(C)=CC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000363669181 384675174 /nfs/dbraw/zinc/67/51/74/384675174.db2.gz CVXDNMGIPFOUQX-UHFFFAOYSA-N 1 0 244.382 3.536 20 0 BHADRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000363675382 384686724 /nfs/dbraw/zinc/68/67/24/384686724.db2.gz OFIMYQPWHRNYER-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000363675389 174745492 /nfs/dbraw/zinc/74/54/92/174745492.db2.gz OFIMYQPWHRNYER-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000363675391 384686919 /nfs/dbraw/zinc/68/69/19/384686919.db2.gz OFIMYQPWHRNYER-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000363675399 384685252 /nfs/dbraw/zinc/68/52/52/384685252.db2.gz OFIMYQPWHRNYER-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2CC2CCCCCC2)n1 ZINC000363993706 183326975 /nfs/dbraw/zinc/32/69/75/183326975.db2.gz ARSFALIIHVFHHZ-CQSZACIVSA-N 1 0 247.386 3.517 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCCC1)C1CC1 ZINC000364281358 385321843 /nfs/dbraw/zinc/32/18/43/385321843.db2.gz BCZOLAPUROYFAX-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCCC1)C1CC1 ZINC000364281360 176917930 /nfs/dbraw/zinc/91/79/30/176917930.db2.gz BCZOLAPUROYFAX-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCCC1)C1CC1 ZINC000364281361 175912164 /nfs/dbraw/zinc/91/21/64/175912164.db2.gz BCZOLAPUROYFAX-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCCC1)C1CC1 ZINC000364281363 175922162 /nfs/dbraw/zinc/92/21/62/175922162.db2.gz BCZOLAPUROYFAX-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364741385 385508176 /nfs/dbraw/zinc/50/81/76/385508176.db2.gz PWCMGTXHXGCFFH-INIZCTEOSA-N 1 0 247.382 3.506 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364741388 385509483 /nfs/dbraw/zinc/50/94/83/385509483.db2.gz PWCMGTXHXGCFFH-MRXNPFEDSA-N 1 0 247.382 3.506 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000364853023 347570401 /nfs/dbraw/zinc/57/04/01/347570401.db2.gz FBLCPRVCLFHNCA-CHWSQXEVSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000364853024 347570346 /nfs/dbraw/zinc/57/03/46/347570346.db2.gz FBLCPRVCLFHNCA-OLZOCXBDSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000364853025 385528668 /nfs/dbraw/zinc/52/86/68/385528668.db2.gz FBLCPRVCLFHNCA-QWHCGFSZSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000364853026 188354576 /nfs/dbraw/zinc/35/45/76/188354576.db2.gz FBLCPRVCLFHNCA-STQMWFEESA-N 1 0 247.386 3.515 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC2(CCCO2)CC1 ZINC000364954217 385547454 /nfs/dbraw/zinc/54/74/54/385547454.db2.gz SIEKQZIMFXETNC-NFOMZHRRSA-N 1 0 239.403 3.647 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC2(CCCO2)CC1 ZINC000364954218 169378688 /nfs/dbraw/zinc/37/86/88/169378688.db2.gz SIEKQZIMFXETNC-WLYUNCDWSA-N 1 0 239.403 3.647 20 0 BHADRO Fc1ccc(C[N@@H+]2CCCC23CCCCC3)nc1 ZINC000364958227 385547862 /nfs/dbraw/zinc/54/78/62/385547862.db2.gz XCPULHAPKMNFOR-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO CC[N@H+](C1CCCC1)[C@H]1CCCc2cccnc21 ZINC000364997405 592730426 /nfs/dbraw/zinc/73/04/26/592730426.db2.gz CJTYHPKFZRAZEK-HNNXBMFYSA-N 1 0 244.382 3.724 20 0 BHADRO CC[N@H+](C1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000364997406 592730441 /nfs/dbraw/zinc/73/04/41/592730441.db2.gz CJTYHPKFZRAZEK-OAHLLOKOSA-N 1 0 244.382 3.724 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2[C@H]2CCC(C)(C)C2)no1 ZINC000365043859 178266274 /nfs/dbraw/zinc/26/62/74/178266274.db2.gz MEKSJVWZNBGOEF-GXTWGEPZSA-N 1 0 248.370 3.699 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2CCC(C)(C)C2)no1 ZINC000365043864 178240319 /nfs/dbraw/zinc/24/03/19/178240319.db2.gz MEKSJVWZNBGOEF-JSGCOSHPSA-N 1 0 248.370 3.699 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCC(C)(C)C2)no1 ZINC000365043865 178241437 /nfs/dbraw/zinc/24/14/37/178241437.db2.gz MEKSJVWZNBGOEF-OCCSQVGLSA-N 1 0 248.370 3.699 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2CCC(C)(C)C2)no1 ZINC000365043867 178265407 /nfs/dbraw/zinc/26/54/07/178265407.db2.gz MEKSJVWZNBGOEF-TZMCWYRMSA-N 1 0 248.370 3.699 20 0 BHADRO C[C@@H]([NH2+]C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000365143146 388564681 /nfs/dbraw/zinc/56/46/81/388564681.db2.gz MICMKYQXAFUYLE-FKTZTGRPSA-N 1 0 241.787 3.646 20 0 BHADRO C[C@H]([NH2+]C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000365143147 388564716 /nfs/dbraw/zinc/56/47/16/388564716.db2.gz MICMKYQXAFUYLE-UJNFCWOMSA-N 1 0 241.787 3.646 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000365207194 168203178 /nfs/dbraw/zinc/20/31/78/168203178.db2.gz RVCSRXPHUGPXRQ-INIZCTEOSA-N 1 0 245.366 3.501 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000365207195 168201939 /nfs/dbraw/zinc/20/19/39/168201939.db2.gz RVCSRXPHUGPXRQ-MRXNPFEDSA-N 1 0 245.366 3.501 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000365475868 386117474 /nfs/dbraw/zinc/11/74/74/386117474.db2.gz DSEDNHYHYIDHMO-GFCCVEGCSA-N 1 0 238.400 3.860 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000365475875 168662065 /nfs/dbraw/zinc/66/20/65/168662065.db2.gz DSEDNHYHYIDHMO-LBPRGKRZSA-N 1 0 238.400 3.860 20 0 BHADRO C([C@H]1CCSC1)[N@@H+]1CCCC12CCCCC2 ZINC000365502520 386133895 /nfs/dbraw/zinc/13/38/95/386133895.db2.gz CUZWMVQASKDLJC-CYBMUJFWSA-N 1 0 239.428 3.538 20 0 BHADRO C([C@@H]1CCSC1)[N@@H+]1CCCC12CCCCC2 ZINC000365502521 386133763 /nfs/dbraw/zinc/13/37/63/386133763.db2.gz CUZWMVQASKDLJC-ZDUSSCGKSA-N 1 0 239.428 3.538 20 0 BHADRO Cc1oncc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000365811561 385799217 /nfs/dbraw/zinc/79/92/17/385799217.db2.gz CPPXAHNQTUUWOI-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1oncc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000365811562 385798608 /nfs/dbraw/zinc/79/86/08/385798608.db2.gz CPPXAHNQTUUWOI-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCCC3)c(C)n1 ZINC000366118537 386093551 /nfs/dbraw/zinc/09/35/51/386093551.db2.gz LCHQDZGQALLHSA-UHFFFAOYSA-N 1 0 244.382 3.607 20 0 BHADRO CCCCC[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000366214375 386189855 /nfs/dbraw/zinc/18/98/55/386189855.db2.gz OMOGKUKGNRVEIR-UHFFFAOYSA-N 1 0 248.370 3.652 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000366233319 188367491 /nfs/dbraw/zinc/36/74/91/188367491.db2.gz PPINTUYTGQFEMQ-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000366233323 171342962 /nfs/dbraw/zinc/34/29/62/171342962.db2.gz PPINTUYTGQFEMQ-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CC(C)[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000366432559 167140260 /nfs/dbraw/zinc/14/02/60/167140260.db2.gz BISIQGODQXUZJE-HNNXBMFYSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000366432560 167133926 /nfs/dbraw/zinc/13/39/26/167133926.db2.gz BISIQGODQXUZJE-OAHLLOKOSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[N@@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000366626978 385828088 /nfs/dbraw/zinc/82/80/88/385828088.db2.gz CPJILVNLCVAAAY-GFCCVEGCSA-N 1 0 238.400 3.779 20 0 BHADRO CCCC[N@@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000366626983 385828503 /nfs/dbraw/zinc/82/85/03/385828503.db2.gz CPJILVNLCVAAAY-LBPRGKRZSA-N 1 0 238.400 3.779 20 0 BHADRO Cc1cnc(C[N@@H+]2CCC3(C2)CCCCCC3)o1 ZINC000366645972 411459738 /nfs/dbraw/zinc/45/97/38/411459738.db2.gz UZNGGZPHKYILQQ-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000366674221 167137263 /nfs/dbraw/zinc/13/72/63/167137263.db2.gz ZEBKEMWTTGAQCT-AULYBMBSSA-N 1 0 223.747 3.584 20 0 BHADRO FC(F)(F)CCCC[NH+]1CCC2(CC2)CC1 ZINC000366687849 180879769 /nfs/dbraw/zinc/87/97/69/180879769.db2.gz RHPIWNGKKIIQOI-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO Cc1cnc(C[N@@H+]2CCCC23CCCCCC3)o1 ZINC000366695220 386718591 /nfs/dbraw/zinc/71/85/91/386718591.db2.gz MGAAENNNLNHLNK-UHFFFAOYSA-N 1 0 248.370 3.672 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCCCCC3)no1 ZINC000366695832 177988639 /nfs/dbraw/zinc/98/86/39/177988639.db2.gz NJOPQKUZSNMGDU-UHFFFAOYSA-N 1 0 248.370 3.672 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccco2)C1 ZINC000367002304 355239421 /nfs/dbraw/zinc/23/94/21/355239421.db2.gz ACLGNSCXJUAVKA-HDJSIYSDSA-N 1 0 241.334 3.624 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000367187318 171347345 /nfs/dbraw/zinc/34/73/45/171347345.db2.gz OUBIUYSXFBRVDR-CHIMOYNISA-N 1 0 239.309 3.599 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000367187319 387446906 /nfs/dbraw/zinc/44/69/06/387446906.db2.gz OUBIUYSXFBRVDR-GLXFQSAKSA-N 1 0 239.309 3.599 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccoc1 ZINC000367195930 387505513 /nfs/dbraw/zinc/50/55/13/387505513.db2.gz OZVJHQWPIWZAAP-DAXOMENPSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccoc1 ZINC000367195931 387505783 /nfs/dbraw/zinc/50/57/83/387505783.db2.gz OZVJHQWPIWZAAP-RCBQFDQVSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CCCCF ZINC000367216786 387593521 /nfs/dbraw/zinc/59/35/21/387593521.db2.gz HBXKRQVLGPSPAN-NEPJUHHUSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1CCCCF ZINC000367216787 177339248 /nfs/dbraw/zinc/33/92/48/177339248.db2.gz HBXKRQVLGPSPAN-NWDGAFQWSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCCCF ZINC000367216788 177375725 /nfs/dbraw/zinc/37/57/25/177375725.db2.gz HBXKRQVLGPSPAN-RYUDHWBXSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1CCCCF ZINC000367216789 187212163 /nfs/dbraw/zinc/21/21/63/187212163.db2.gz HBXKRQVLGPSPAN-VXGBXAGGSA-N 1 0 241.375 3.676 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CCCCF)CC1 ZINC000367216929 168087907 /nfs/dbraw/zinc/08/79/07/168087907.db2.gz HNDGPNUXTRAFLW-UHFFFAOYSA-N 1 0 237.318 3.509 20 0 BHADRO FCCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000367217199 387594793 /nfs/dbraw/zinc/59/47/93/387594793.db2.gz KBMRGHCXOXTNBV-UHFFFAOYSA-N 1 0 239.359 3.587 20 0 BHADRO C[C@@H](F)CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000367217911 387597497 /nfs/dbraw/zinc/59/74/97/387597497.db2.gz PHVFBXVANWUBRU-LLVKDONJSA-N 1 0 239.359 3.585 20 0 BHADRO C[C@H](F)CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000367217913 387597513 /nfs/dbraw/zinc/59/75/13/387597513.db2.gz PHVFBXVANWUBRU-NSHDSACASA-N 1 0 239.359 3.585 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000367260886 168392512 /nfs/dbraw/zinc/39/25/12/168392512.db2.gz SXBPHAPBGNRLOT-BBRMVZONSA-N 1 0 246.398 3.886 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367260887 168392706 /nfs/dbraw/zinc/39/27/06/168392706.db2.gz SXBPHAPBGNRLOT-CJNGLKHVSA-N 1 0 246.398 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367260888 168390614 /nfs/dbraw/zinc/39/06/14/168390614.db2.gz SXBPHAPBGNRLOT-CZUORRHYSA-N 1 0 246.398 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000367260889 168390901 /nfs/dbraw/zinc/39/09/01/168390901.db2.gz SXBPHAPBGNRLOT-XJKSGUPXSA-N 1 0 246.398 3.886 20 0 BHADRO CC(C)(C)CCC[NH2+]C1CC(c2ccccn2)C1 ZINC000367377265 166561475 /nfs/dbraw/zinc/56/14/75/166561475.db2.gz ISXCTWDVEDPKHB-UHFFFAOYSA-N 1 0 246.398 3.744 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H]1c1ccccc1F ZINC000367458657 387713097 /nfs/dbraw/zinc/71/30/97/387713097.db2.gz NCFUKXGWEIWDFH-AWEZNQCLSA-N 1 0 239.309 3.712 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000367458658 387713694 /nfs/dbraw/zinc/71/36/94/387713694.db2.gz NCFUKXGWEIWDFH-CQSZACIVSA-N 1 0 239.309 3.712 20 0 BHADRO Cc1cc([C@@H]2CC[N@H+](CCCCF)C2)cs1 ZINC000367525175 178240928 /nfs/dbraw/zinc/24/09/28/178240928.db2.gz RKQROHNUMKAGKN-GFCCVEGCSA-N 1 0 241.375 3.596 20 0 BHADRO Cc1cc([C@H]2CC[N@H+](CCCCF)C2)cs1 ZINC000367525176 178268106 /nfs/dbraw/zinc/26/81/06/178268106.db2.gz RKQROHNUMKAGKN-LBPRGKRZSA-N 1 0 241.375 3.596 20 0 BHADRO C[C@@H](F)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000367539970 387720619 /nfs/dbraw/zinc/72/06/19/387720619.db2.gz GOMHKUPZWCRLBF-LLVKDONJSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@H](F)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000367539971 387720940 /nfs/dbraw/zinc/72/09/40/387720940.db2.gz GOMHKUPZWCRLBF-NSHDSACASA-N 1 0 241.375 3.676 20 0 BHADRO C[N@H+](CCCCF)C1CC(c2ccccc2)C1 ZINC000367539973 387721964 /nfs/dbraw/zinc/72/19/64/387721964.db2.gz GOTTVTWWBLPUPQ-UHFFFAOYSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](F)CC[N@H+](C)C1CC(c2ccccc2)C1 ZINC000367540352 387721891 /nfs/dbraw/zinc/72/18/91/387721891.db2.gz KWKKYRBOAGYBND-GRTSSRMGSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@@H](F)CC[N@H+](C)C1CC(c2ccccc2)C1 ZINC000367540353 387721703 /nfs/dbraw/zinc/72/17/03/387721703.db2.gz KWKKYRBOAGYBND-LRVUVFPRSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCF ZINC000367544523 177375808 /nfs/dbraw/zinc/37/58/08/177375808.db2.gz MUHLDLBGMQOYKJ-AAEUAGOBSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCCCF ZINC000367544524 176384179 /nfs/dbraw/zinc/38/41/79/176384179.db2.gz MUHLDLBGMQOYKJ-DGCLKSJQSA-N 1 0 241.375 3.676 20 0 BHADRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCCCF ZINC000367544525 177339416 /nfs/dbraw/zinc/33/94/16/177339416.db2.gz MUHLDLBGMQOYKJ-WCQYABFASA-N 1 0 241.375 3.676 20 0 BHADRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCF ZINC000367544526 387725087 /nfs/dbraw/zinc/72/50/87/387725087.db2.gz MUHLDLBGMQOYKJ-YPMHNXCESA-N 1 0 241.375 3.676 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000367554353 398340482 /nfs/dbraw/zinc/34/04/82/398340482.db2.gz UJFQHATXUGSSCQ-LLVKDONJSA-N 1 0 227.348 3.635 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000367554354 398340500 /nfs/dbraw/zinc/34/05/00/398340500.db2.gz UJFQHATXUGSSCQ-NSHDSACASA-N 1 0 227.348 3.635 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367595569 187384046 /nfs/dbraw/zinc/38/40/46/187384046.db2.gz BTBPSWZAQGYSDC-AWEZNQCLSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367595570 187898588 /nfs/dbraw/zinc/89/85/88/187898588.db2.gz BTBPSWZAQGYSDC-CQSZACIVSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367608625 171388564 /nfs/dbraw/zinc/38/85/64/171388564.db2.gz SIJFFWUVMUBSPQ-KBPBESRZSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367608626 385507644 /nfs/dbraw/zinc/50/76/44/385507644.db2.gz SIJFFWUVMUBSPQ-KGLIPLIRSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367608627 171365003 /nfs/dbraw/zinc/36/50/03/171365003.db2.gz SIJFFWUVMUBSPQ-UONOGXRCSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367608628 385507525 /nfs/dbraw/zinc/50/75/25/385507525.db2.gz SIJFFWUVMUBSPQ-ZIAGYGMSSA-N 1 0 246.398 3.528 20 0 BHADRO c1c[nH]c([C@@H]([NH2+]C2CCCC2)C2CCCCC2)n1 ZINC000367617445 183327679 /nfs/dbraw/zinc/32/76/79/183327679.db2.gz NFLGBQULBHGELY-AWEZNQCLSA-N 1 0 247.386 3.563 20 0 BHADRO c1c[nH]c([C@H]([NH2+]C2CCCC2)C2CCCCC2)n1 ZINC000367617446 183327000 /nfs/dbraw/zinc/32/70/00/183327000.db2.gz NFLGBQULBHGELY-CQSZACIVSA-N 1 0 247.386 3.563 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)C(C)(C)C ZINC000367712558 175868525 /nfs/dbraw/zinc/86/85/25/175868525.db2.gz LEHHRTLSDQWCPD-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)C(C)(C)C ZINC000367712559 176837773 /nfs/dbraw/zinc/83/77/73/176837773.db2.gz LEHHRTLSDQWCPD-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@H]([NH2+]CC1(c2ccccn2)CCC1)C(C)C ZINC000367713254 387747455 /nfs/dbraw/zinc/74/74/55/387747455.db2.gz REUCNOBMWGJABI-AWEZNQCLSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)C(C)C ZINC000367713255 387745947 /nfs/dbraw/zinc/74/59/47/387745947.db2.gz REUCNOBMWGJABI-CQSZACIVSA-N 1 0 246.398 3.528 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367713792 387747509 /nfs/dbraw/zinc/74/75/09/387747509.db2.gz VXQNZTOGEBIDNJ-AWEZNQCLSA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(c2ccccn2)CCC1 ZINC000367713793 169378144 /nfs/dbraw/zinc/37/81/44/169378144.db2.gz VXQNZTOGEBIDNJ-CQSZACIVSA-N 1 0 246.398 3.672 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367722673 168352314 /nfs/dbraw/zinc/35/23/14/168352314.db2.gz BPLLONUIRKUUAS-AWEZNQCLSA-N 1 0 249.402 3.600 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367722674 168350048 /nfs/dbraw/zinc/35/00/48/168350048.db2.gz BPLLONUIRKUUAS-CQSZACIVSA-N 1 0 249.402 3.600 20 0 BHADRO Cc1c[nH+]ccc1N1Cc2cccc(Cl)c2C1 ZINC000367925609 386918387 /nfs/dbraw/zinc/91/83/87/386918387.db2.gz HADPGGXIGZCSFD-UHFFFAOYSA-N 1 0 244.725 3.564 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC000367956843 183348098 /nfs/dbraw/zinc/34/80/98/183348098.db2.gz NZHPNRYLOYNBHG-CZUORRHYSA-N 1 0 240.350 3.542 20 0 BHADRO CC[N@H+](C)[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000367983726 386925690 /nfs/dbraw/zinc/92/56/90/386925690.db2.gz QKPUHEXOHBVEJP-CYBMUJFWSA-N 1 0 240.350 3.761 20 0 BHADRO CC[N@H+](C)[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000367983727 386926808 /nfs/dbraw/zinc/92/68/08/386926808.db2.gz QKPUHEXOHBVEJP-ZDUSSCGKSA-N 1 0 240.350 3.761 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCCCC2)no1 ZINC000367985989 178256409 /nfs/dbraw/zinc/25/64/09/178256409.db2.gz GVUXDZYLVLFYMD-CORIIIEPSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C2CCCCC2)no1 ZINC000367985990 178259674 /nfs/dbraw/zinc/25/96/74/178259674.db2.gz GVUXDZYLVLFYMD-LNSITVRQSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C2CCCCC2)no1 ZINC000367985991 178255985 /nfs/dbraw/zinc/25/59/85/178255985.db2.gz GVUXDZYLVLFYMD-NJZAAPMLSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]2C2CCCCC2)no1 ZINC000367985993 178259729 /nfs/dbraw/zinc/25/97/29/178259729.db2.gz GVUXDZYLVLFYMD-WHOFXGATSA-N 1 0 248.370 3.602 20 0 BHADRO c1ccc(C2CC([NH2+]C3CCCCCC3)C2)nc1 ZINC000368013756 183389652 /nfs/dbraw/zinc/38/96/52/183389652.db2.gz CKENNGDOQACYSO-UHFFFAOYSA-N 1 0 244.382 3.640 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000368019115 386930191 /nfs/dbraw/zinc/93/01/91/386930191.db2.gz RFGUZWJDDGHYEC-NFOMZHRRSA-N 1 0 246.398 3.886 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000368019116 386931708 /nfs/dbraw/zinc/93/17/08/386931708.db2.gz RFGUZWJDDGHYEC-WLYUNCDWSA-N 1 0 246.398 3.886 20 0 BHADRO CC(C)(C)CC[NH2+]CC1(c2ccccn2)CCC1 ZINC000368046841 386935583 /nfs/dbraw/zinc/93/55/83/386935583.db2.gz ZYPPMIJBQDYFTD-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO CC(C)C(C)(C)C[NH2+]C1CC(c2ccccn2)C1 ZINC000368046995 386935662 /nfs/dbraw/zinc/93/56/62/386935662.db2.gz ZKHNXNCNSIAQKB-UHFFFAOYSA-N 1 0 246.398 3.599 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000368052879 187384024 /nfs/dbraw/zinc/38/40/24/187384024.db2.gz ZSTWHDCOXLIQCT-GXTWGEPZSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000368052880 187385021 /nfs/dbraw/zinc/38/50/21/187385021.db2.gz ZSTWHDCOXLIQCT-JSGCOSHPSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000368052881 356964816 /nfs/dbraw/zinc/96/48/16/356964816.db2.gz ZSTWHDCOXLIQCT-OCCSQVGLSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000368052882 356964979 /nfs/dbraw/zinc/96/49/79/356964979.db2.gz ZSTWHDCOXLIQCT-TZMCWYRMSA-N 1 0 247.386 3.515 20 0 BHADRO CC[N@@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1 ZINC000368118396 170017440 /nfs/dbraw/zinc/01/74/40/170017440.db2.gz KNFWOTGAQVJMBL-GFCCVEGCSA-N 1 0 239.309 3.509 20 0 BHADRO CC[N@@H+]1CC[C@@H](Cc2ccc(C(F)F)cc2)C1 ZINC000368118397 170009952 /nfs/dbraw/zinc/00/99/52/170009952.db2.gz KNFWOTGAQVJMBL-LBPRGKRZSA-N 1 0 239.309 3.509 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000368136204 169358023 /nfs/dbraw/zinc/35/80/23/169358023.db2.gz TYOLYAGPRXVDEZ-BXUZGUMPSA-N 1 0 249.402 3.600 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000368136205 384271424 /nfs/dbraw/zinc/27/14/24/384271424.db2.gz TYOLYAGPRXVDEZ-FZMZJTMJSA-N 1 0 249.402 3.600 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000368136206 169358223 /nfs/dbraw/zinc/35/82/23/169358223.db2.gz TYOLYAGPRXVDEZ-RISCZKNCSA-N 1 0 249.402 3.600 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000368136207 384271068 /nfs/dbraw/zinc/27/10/68/384271068.db2.gz TYOLYAGPRXVDEZ-SMDDNHRTSA-N 1 0 249.402 3.600 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCCC23CCCC3)no1 ZINC000368183164 178039808 /nfs/dbraw/zinc/03/98/08/178039808.db2.gz FXWIRAIRBNUEQC-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCCC23CCCC3)no1 ZINC000368183165 178033773 /nfs/dbraw/zinc/03/37/73/178033773.db2.gz FXWIRAIRBNUEQC-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(c2ncccc2C)CC1 ZINC000368258413 168989980 /nfs/dbraw/zinc/98/99/80/168989980.db2.gz GWJWWIRJTSMAEO-AWEZNQCLSA-N 1 0 246.398 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(c2ncccc2C)CC1 ZINC000368258414 356967731 /nfs/dbraw/zinc/96/77/31/356967731.db2.gz GWJWWIRJTSMAEO-CQSZACIVSA-N 1 0 246.398 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(c2ncccc2C)CC1 ZINC000368287776 386956463 /nfs/dbraw/zinc/95/64/63/386956463.db2.gz HAWVNNMMHRHZBD-AWEZNQCLSA-N 1 0 246.398 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(c2ncccc2C)CC1 ZINC000368287777 169378391 /nfs/dbraw/zinc/37/83/91/169378391.db2.gz HAWVNNMMHRHZBD-CQSZACIVSA-N 1 0 246.398 3.590 20 0 BHADRO Cc1cc(C[N@@H+]2CCC3(C2)CCCCCC3)no1 ZINC000368399282 386969123 /nfs/dbraw/zinc/96/91/23/386969123.db2.gz XDWDSZFZZSLNBE-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000368417370 386970664 /nfs/dbraw/zinc/97/06/64/386970664.db2.gz RNIMTNKXYOGRGO-CYBMUJFWSA-N 1 0 238.400 3.779 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000368526245 168064512 /nfs/dbraw/zinc/06/45/12/168064512.db2.gz HLHOXPLXDGRIGG-DZGCQCFKSA-N 1 0 244.382 3.640 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000368526252 168064248 /nfs/dbraw/zinc/06/42/48/168064248.db2.gz HLHOXPLXDGRIGG-HIFRSBDPSA-N 1 0 244.382 3.640 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000368526253 168063637 /nfs/dbraw/zinc/06/36/37/168063637.db2.gz HLHOXPLXDGRIGG-UKRRQHHQSA-N 1 0 244.382 3.640 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000368526255 168064841 /nfs/dbraw/zinc/06/48/41/168064841.db2.gz HLHOXPLXDGRIGG-ZFWWWQNUSA-N 1 0 244.382 3.640 20 0 BHADRO CC(C)[NH2+][C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000368613478 167136423 /nfs/dbraw/zinc/13/64/23/167136423.db2.gz JUEVSKTWFGOPAG-XYPYZODXSA-N 1 0 241.737 3.723 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000369386438 387040539 /nfs/dbraw/zinc/04/05/39/387040539.db2.gz ARNBCCRTIUJBKO-LLVKDONJSA-N 1 0 241.425 3.556 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000369386439 387041420 /nfs/dbraw/zinc/04/14/20/387041420.db2.gz ARNBCCRTIUJBKO-NSHDSACASA-N 1 0 241.425 3.556 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000369589790 387055770 /nfs/dbraw/zinc/05/57/70/387055770.db2.gz BXSDRUMMPKQUNA-AWEZNQCLSA-N 1 0 236.359 3.700 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000369589791 387055414 /nfs/dbraw/zinc/05/54/14/387055414.db2.gz BXSDRUMMPKQUNA-CQSZACIVSA-N 1 0 236.359 3.700 20 0 BHADRO Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CCCC2)C1 ZINC000369703290 387063637 /nfs/dbraw/zinc/06/36/37/387063637.db2.gz AWLFDBODPSLHQG-AULYBMBSSA-N 1 0 233.330 3.604 20 0 BHADRO Clc1cccc([C@H]2C[C@H]([NH2+]CC3CC3)C2)c1 ZINC000369715485 398249669 /nfs/dbraw/zinc/24/96/69/398249669.db2.gz UAZVFJLCHURXTL-MQMHXKEQSA-N 1 0 235.758 3.586 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1cccnc1 ZINC000369756388 387067610 /nfs/dbraw/zinc/06/76/10/387067610.db2.gz FDQUAOWNIVFBAK-APHBMKBZSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1cccnc1 ZINC000369756389 387066930 /nfs/dbraw/zinc/06/69/30/387066930.db2.gz FDQUAOWNIVFBAK-MAZHCROVSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000369756390 387066879 /nfs/dbraw/zinc/06/68/79/387066879.db2.gz FDQUAOWNIVFBAK-RCBQFDQVSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000369756391 387068461 /nfs/dbraw/zinc/06/84/61/387068461.db2.gz FDQUAOWNIVFBAK-VBNZEHGJSA-N 1 0 244.382 3.701 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCCC2(CC2)C1 ZINC000369974992 387079415 /nfs/dbraw/zinc/07/94/15/387079415.db2.gz QFQKBNLTMCDPGZ-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO CO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC000369992511 387083025 /nfs/dbraw/zinc/08/30/25/387083025.db2.gz CPUKASOANIQIHH-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC000369992512 387081390 /nfs/dbraw/zinc/08/13/90/387081390.db2.gz CPUKASOANIQIHH-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC000369992513 387082132 /nfs/dbraw/zinc/08/21/32/387082132.db2.gz CPUKASOANIQIHH-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC000369992514 174746365 /nfs/dbraw/zinc/74/63/65/174746365.db2.gz CPUKASOANIQIHH-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO C1=C(CC[NH2+]C2CCC3(CCCO3)CC2)CCC1 ZINC000370006596 387081628 /nfs/dbraw/zinc/08/16/28/387081628.db2.gz JBEMWKIVOLCANY-UHFFFAOYSA-N 1 0 249.398 3.568 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000370007188 187222740 /nfs/dbraw/zinc/22/27/40/187222740.db2.gz KIMOYIXQDZRQIN-NFOMZHRRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000370007208 387082041 /nfs/dbraw/zinc/08/20/41/387082041.db2.gz KIMOYIXQDZRQIN-WLYUNCDWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370511871 169191886 /nfs/dbraw/zinc/19/18/86/169191886.db2.gz BNSNJJFEHHYQAE-CYBMUJFWSA-N 1 0 244.338 3.765 20 0 BHADRO CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370511872 169191741 /nfs/dbraw/zinc/19/17/41/169191741.db2.gz BNSNJJFEHHYQAE-ZDUSSCGKSA-N 1 0 244.338 3.765 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000370549272 177046356 /nfs/dbraw/zinc/04/63/56/177046356.db2.gz YMCPXOAINRKJNL-BMFZPTHFSA-N 1 0 244.382 3.797 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000370549273 177046181 /nfs/dbraw/zinc/04/61/81/177046181.db2.gz YMCPXOAINRKJNL-FVQBIDKESA-N 1 0 244.382 3.797 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000370549274 177046737 /nfs/dbraw/zinc/04/67/37/177046737.db2.gz YMCPXOAINRKJNL-KBMXLJTQSA-N 1 0 244.382 3.797 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000370549275 177046276 /nfs/dbraw/zinc/04/62/76/177046276.db2.gz YMCPXOAINRKJNL-VNQPRFMTSA-N 1 0 244.382 3.797 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370586962 387127535 /nfs/dbraw/zinc/12/75/35/387127535.db2.gz BSZXVOOUXZUUEO-GDBMZVCRSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000370586963 387127667 /nfs/dbraw/zinc/12/76/67/387127667.db2.gz BSZXVOOUXZUUEO-GOEBONIOSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000370586964 387127632 /nfs/dbraw/zinc/12/76/32/387127632.db2.gz BSZXVOOUXZUUEO-HOCLYGCPSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370586965 387128751 /nfs/dbraw/zinc/12/87/51/387128751.db2.gz BSZXVOOUXZUUEO-ZBFHGGJFSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000370619638 171345904 /nfs/dbraw/zinc/34/59/04/171345904.db2.gz CWSSPLDVTVZTJR-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000370619639 170757385 /nfs/dbraw/zinc/75/73/85/170757385.db2.gz CWSSPLDVTVZTJR-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000370619640 170758484 /nfs/dbraw/zinc/75/84/84/170758484.db2.gz CWSSPLDVTVZTJR-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000370619641 171349046 /nfs/dbraw/zinc/34/90/46/171349046.db2.gz CWSSPLDVTVZTJR-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000370740468 387139230 /nfs/dbraw/zinc/13/92/30/387139230.db2.gz OUBIUYSXFBRVDR-FDMSEYEVSA-N 1 0 239.309 3.599 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000370740469 171339144 /nfs/dbraw/zinc/33/91/44/171339144.db2.gz OUBIUYSXFBRVDR-VOIZVOFFSA-N 1 0 239.309 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000370744026 357028066 /nfs/dbraw/zinc/02/80/66/357028066.db2.gz ZZIFZXYFQYZPPT-NFOMZHRRSA-N 1 0 246.398 3.742 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000370744027 387138617 /nfs/dbraw/zinc/13/86/17/387138617.db2.gz ZZIFZXYFQYZPPT-WLYUNCDWSA-N 1 0 246.398 3.742 20 0 BHADRO Cc1noc(C)c1C[N@@H+]1CCCC12CCCCC2 ZINC000371168016 387159610 /nfs/dbraw/zinc/15/96/10/387159610.db2.gz ZMCRUECINRBGDQ-UHFFFAOYSA-N 1 0 248.370 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208943 387174508 /nfs/dbraw/zinc/17/45/08/387174508.db2.gz KHJOIGUWPXESKM-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208945 171344387 /nfs/dbraw/zinc/34/43/87/171344387.db2.gz KHJOIGUWPXESKM-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CCC(CC)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371282258 168389771 /nfs/dbraw/zinc/38/97/71/168389771.db2.gz YMJGCEOTUJLTSP-UHFFFAOYSA-N 1 0 244.338 3.620 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371288043 169371005 /nfs/dbraw/zinc/37/10/05/169371005.db2.gz AOVXASBOPVLMAI-GFCCVEGCSA-N 1 0 244.338 3.620 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371288045 387186517 /nfs/dbraw/zinc/18/65/17/387186517.db2.gz AOVXASBOPVLMAI-LBPRGKRZSA-N 1 0 244.338 3.620 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)s1 ZINC000371331910 387194456 /nfs/dbraw/zinc/19/44/56/387194456.db2.gz LQLDQGXLWBOZAV-GFCCVEGCSA-N 1 0 247.363 3.639 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)s1 ZINC000371331911 387193444 /nfs/dbraw/zinc/19/34/44/387193444.db2.gz LQLDQGXLWBOZAV-LBPRGKRZSA-N 1 0 247.363 3.639 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]c2)cc1 ZINC000371394849 387204695 /nfs/dbraw/zinc/20/46/95/387204695.db2.gz AYNGRMMUQDSFRW-INIZCTEOSA-N 1 0 240.350 3.660 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]c2)cc1 ZINC000371394850 387204586 /nfs/dbraw/zinc/20/45/86/387204586.db2.gz AYNGRMMUQDSFRW-MRXNPFEDSA-N 1 0 240.350 3.660 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371546465 387230066 /nfs/dbraw/zinc/23/00/66/387230066.db2.gz MBJSANKYWOPRDS-CVEARBPZSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000371546466 387229886 /nfs/dbraw/zinc/22/98/86/387229886.db2.gz MBJSANKYWOPRDS-HOTGVXAUSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371546467 168721599 /nfs/dbraw/zinc/72/15/99/168721599.db2.gz MBJSANKYWOPRDS-HZPDHXFCSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000371546468 387229984 /nfs/dbraw/zinc/22/99/84/387229984.db2.gz MBJSANKYWOPRDS-JKSUJKDBSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(C2CC[NH+](CC(C)(C)C)CC2)cn1 ZINC000371680612 387239764 /nfs/dbraw/zinc/23/97/64/387239764.db2.gz KNZWFCUTDRFRSU-UHFFFAOYSA-N 1 0 246.398 3.616 20 0 BHADRO Cc1ccc(C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000371743851 178512894 /nfs/dbraw/zinc/51/28/94/178512894.db2.gz MXJSGQQSFMOKFF-UHFFFAOYSA-N 1 0 244.382 3.512 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000371803059 188247680 /nfs/dbraw/zinc/24/76/80/188247680.db2.gz NZCAVVAQKJGPJB-KBPBESRZSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000371803060 357051505 /nfs/dbraw/zinc/05/15/05/357051505.db2.gz NZCAVVAQKJGPJB-KGLIPLIRSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000371803061 387251756 /nfs/dbraw/zinc/25/17/56/387251756.db2.gz NZCAVVAQKJGPJB-UONOGXRCSA-N 1 0 247.386 3.515 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000371803062 357051707 /nfs/dbraw/zinc/05/17/07/357051707.db2.gz NZCAVVAQKJGPJB-ZIAGYGMSSA-N 1 0 247.386 3.515 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1/C=C/c1cccs1 ZINC000372028740 387265195 /nfs/dbraw/zinc/26/51/95/387265195.db2.gz YSZDOVZIFAPGOQ-NNNHXZLVSA-N 1 0 239.359 3.585 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1/C=C/c1cccs1 ZINC000372028741 387264812 /nfs/dbraw/zinc/26/48/12/387264812.db2.gz YSZDOVZIFAPGOQ-SYTKJHMZSA-N 1 0 239.359 3.585 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000372044877 387267171 /nfs/dbraw/zinc/26/71/71/387267171.db2.gz YFQYGPPMHUGYEP-AAOUONPWSA-N 1 0 236.384 3.636 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000372044878 387267117 /nfs/dbraw/zinc/26/71/17/387267117.db2.gz YFQYGPPMHUGYEP-PCAWENJQSA-N 1 0 236.384 3.636 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000372059386 387269290 /nfs/dbraw/zinc/26/92/90/387269290.db2.gz CXAKCNKYHZMVGS-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000372059387 387268970 /nfs/dbraw/zinc/26/89/70/387268970.db2.gz CXAKCNKYHZMVGS-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000372059388 171345651 /nfs/dbraw/zinc/34/56/51/171345651.db2.gz CXAKCNKYHZMVGS-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000372059389 171349005 /nfs/dbraw/zinc/34/90/05/171349005.db2.gz CXAKCNKYHZMVGS-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000372124675 387273121 /nfs/dbraw/zinc/27/31/21/387273121.db2.gz RNIMTNKXYOGRGO-ZDUSSCGKSA-N 1 0 238.400 3.779 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000372131956 387276425 /nfs/dbraw/zinc/27/64/25/387276425.db2.gz MEKWFKVVXCXKBL-LLVKDONJSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000372131957 387273479 /nfs/dbraw/zinc/27/34/79/387273479.db2.gz MEKWFKVVXCXKBL-NSHDSACASA-N 1 0 235.293 3.593 20 0 BHADRO c1cc2c(cccc2C[NH2+]C23CCC(CC2)C3)[nH]1 ZINC000372347552 183348300 /nfs/dbraw/zinc/34/83/00/183348300.db2.gz KVWDQQXMBMQYNM-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000372451320 168352742 /nfs/dbraw/zinc/35/27/42/168352742.db2.gz KFBYCNYOLHLTQI-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000372451321 168350801 /nfs/dbraw/zinc/35/08/01/168350801.db2.gz KFBYCNYOLHLTQI-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000372452152 168352045 /nfs/dbraw/zinc/35/20/45/168352045.db2.gz WGJNXFMPXVYPGB-AWEZNQCLSA-N 1 0 236.359 3.556 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000372452153 168350524 /nfs/dbraw/zinc/35/05/24/168350524.db2.gz WGJNXFMPXVYPGB-CQSZACIVSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc([C@@H]2CCC[N@H+]2CCCC(C)C)no1 ZINC000372461492 178241515 /nfs/dbraw/zinc/24/15/15/178241515.db2.gz CPNIYNYKRHTDAF-AWEZNQCLSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1cc([C@H]2CCC[N@H+]2CCCC(C)C)no1 ZINC000372461495 178265923 /nfs/dbraw/zinc/26/59/23/178265923.db2.gz CPNIYNYKRHTDAF-CQSZACIVSA-N 1 0 236.359 3.556 20 0 BHADRO Cc1oncc1C[N@@H+]1CCCC12CCCCCC2 ZINC000372462709 387304269 /nfs/dbraw/zinc/30/42/69/387304269.db2.gz ISEGQXYLLBVZKI-UHFFFAOYSA-N 1 0 248.370 3.672 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)C(C)(C)C ZINC000372696870 411185862 /nfs/dbraw/zinc/18/58/62/411185862.db2.gz QYUPBZRLMDGHHU-DNOWBOINSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(C)(C)C ZINC000372696875 176829285 /nfs/dbraw/zinc/82/92/85/176829285.db2.gz QYUPBZRLMDGHHU-OPFPJEHXSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000372697682 168360241 /nfs/dbraw/zinc/36/02/41/168360241.db2.gz UWIFGPTUCZYFOR-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000372901122 384536610 /nfs/dbraw/zinc/53/66/10/384536610.db2.gz PSZBAWHJHSRMQJ-CHWSQXEVSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000372901143 384536717 /nfs/dbraw/zinc/53/67/17/384536717.db2.gz PSZBAWHJHSRMQJ-OLZOCXBDSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000372901145 384536648 /nfs/dbraw/zinc/53/66/48/384536648.db2.gz PSZBAWHJHSRMQJ-QWHCGFSZSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000372901147 384536234 /nfs/dbraw/zinc/53/62/34/384536234.db2.gz PSZBAWHJHSRMQJ-STQMWFEESA-N 1 0 241.737 3.535 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCCC12CCC2 ZINC000373104519 398012861 /nfs/dbraw/zinc/01/28/61/398012861.db2.gz PERLVFXMDAFZFJ-UHFFFAOYSA-N 1 0 235.293 3.738 20 0 BHADRO CC/C=C/CC[NH+]1CCC(c2ccccn2)CC1 ZINC000373343909 167842180 /nfs/dbraw/zinc/84/21/80/167842180.db2.gz FYQHKRRVECDJTL-ONEGZZNKSA-N 1 0 244.382 3.617 20 0 BHADRO CC/C=C/CC[N@H+]1CC=C(c2cccnc2)CC1 ZINC000373352979 387360232 /nfs/dbraw/zinc/36/02/32/387360232.db2.gz HQMDPFIYXKVOSG-ONEGZZNKSA-N 1 0 242.366 3.527 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@H]1c1ccsc1 ZINC000373522372 387377459 /nfs/dbraw/zinc/37/74/59/387377459.db2.gz MZOHJLBHFNAJLX-AWEZNQCLSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@@H]1c1ccsc1 ZINC000373522373 387377306 /nfs/dbraw/zinc/37/73/06/387377306.db2.gz MZOHJLBHFNAJLX-CQSZACIVSA-N 1 0 244.363 3.793 20 0 BHADRO Cc1cc([C@@H]2CC[N@H+](Cc3ccco3)C2)cs1 ZINC000373570306 178241883 /nfs/dbraw/zinc/24/18/83/178241883.db2.gz YYWSXMUPPZQKOS-GFCCVEGCSA-N 1 0 247.363 3.639 20 0 BHADRO Cc1cc([C@H]2CC[N@H+](Cc3ccco3)C2)cs1 ZINC000373570307 178268356 /nfs/dbraw/zinc/26/83/56/178268356.db2.gz YYWSXMUPPZQKOS-LBPRGKRZSA-N 1 0 247.363 3.639 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000373688586 387388565 /nfs/dbraw/zinc/38/85/65/387388565.db2.gz TYZUOLPMBFSPAK-GFCCVEGCSA-N 1 0 238.400 3.716 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000373688587 387387747 /nfs/dbraw/zinc/38/77/47/387387747.db2.gz TYZUOLPMBFSPAK-LBPRGKRZSA-N 1 0 238.400 3.716 20 0 BHADRO Cc1cc(C=C2CC[NH+](CC(C)(C)C)CC2)no1 ZINC000374260525 387435954 /nfs/dbraw/zinc/43/59/54/387435954.db2.gz WUNBCQWVLBLANS-UHFFFAOYSA-N 1 0 248.370 3.508 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000374342264 167326911 /nfs/dbraw/zinc/32/69/11/167326911.db2.gz PYQUMJWEBKDSFC-LBPRGKRZSA-N 1 0 239.384 3.558 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374485738 168393137 /nfs/dbraw/zinc/39/31/37/168393137.db2.gz FIDQGKJHLDOOKL-GDBMZVCRSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374485742 168392871 /nfs/dbraw/zinc/39/28/71/168392871.db2.gz FIDQGKJHLDOOKL-GOEBONIOSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374485744 168391755 /nfs/dbraw/zinc/39/17/55/168391755.db2.gz FIDQGKJHLDOOKL-HOCLYGCPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374485745 168391535 /nfs/dbraw/zinc/39/15/35/168391535.db2.gz FIDQGKJHLDOOKL-ZBFHGGJFSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374497956 387461441 /nfs/dbraw/zinc/46/14/41/387461441.db2.gz SQCKKVOPYVUBAN-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374497958 387461539 /nfs/dbraw/zinc/46/15/39/387461539.db2.gz SQCKKVOPYVUBAN-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374497960 387461840 /nfs/dbraw/zinc/46/18/40/387461840.db2.gz SQCKKVOPYVUBAN-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374497961 384559791 /nfs/dbraw/zinc/55/97/91/384559791.db2.gz SQCKKVOPYVUBAN-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374691643 357165969 /nfs/dbraw/zinc/16/59/69/357165969.db2.gz DUXJOCRELJMYOH-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](OC)CC1 ZINC000374691649 357166121 /nfs/dbraw/zinc/16/61/21/357166121.db2.gz DUXJOCRELJMYOH-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374691651 171597861 /nfs/dbraw/zinc/59/78/61/171597861.db2.gz DUXJOCRELJMYOH-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](OC)CC1 ZINC000374691654 387481609 /nfs/dbraw/zinc/48/16/09/387481609.db2.gz DUXJOCRELJMYOH-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](Cc2ccco2)CC1 ZINC000374994518 168090277 /nfs/dbraw/zinc/09/02/77/168090277.db2.gz LOOOAPPKKWSKQF-UHFFFAOYSA-N 1 0 243.306 3.552 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000375015120 169357964 /nfs/dbraw/zinc/35/79/64/169357964.db2.gz CDKTVFLNEBIDIG-BXUZGUMPSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000375015122 387506121 /nfs/dbraw/zinc/50/61/21/387506121.db2.gz CDKTVFLNEBIDIG-FZMZJTMJSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000375015125 169357414 /nfs/dbraw/zinc/35/74/14/169357414.db2.gz CDKTVFLNEBIDIG-RISCZKNCSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000375015126 387506149 /nfs/dbraw/zinc/50/61/49/387506149.db2.gz CDKTVFLNEBIDIG-SMDDNHRTSA-N 1 0 236.359 3.556 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000375020676 169358332 /nfs/dbraw/zinc/35/83/32/169358332.db2.gz NICVFZKBHFNTOX-NEPJUHHUSA-N 1 0 238.400 3.716 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000375020677 387505974 /nfs/dbraw/zinc/50/59/74/387505974.db2.gz NICVFZKBHFNTOX-NWDGAFQWSA-N 1 0 238.400 3.716 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000375020679 387505784 /nfs/dbraw/zinc/50/57/84/387505784.db2.gz NICVFZKBHFNTOX-RYUDHWBXSA-N 1 0 238.400 3.716 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000375020681 169357681 /nfs/dbraw/zinc/35/76/81/169357681.db2.gz NICVFZKBHFNTOX-VXGBXAGGSA-N 1 0 238.400 3.716 20 0 BHADRO Fc1ccc(C[N@@H+]2CCCC23CCCCC3)cn1 ZINC000375286783 387521152 /nfs/dbraw/zinc/52/11/52/387521152.db2.gz LRRKMZSYHRYJFV-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO Cc1oncc1C[N@@H+]1CCC2(C1)CCCCCC2 ZINC000375344390 180554594 /nfs/dbraw/zinc/55/45/94/180554594.db2.gz DWMWXZCUCWTFCK-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO C1=C(C[N@@H+]2CCCC23CCCCCC3)COCC1 ZINC000375357047 387531959 /nfs/dbraw/zinc/53/19/59/387531959.db2.gz PVBLCSNLEPJCNR-UHFFFAOYSA-N 1 0 249.398 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000375697166 387569039 /nfs/dbraw/zinc/56/90/39/387569039.db2.gz LUYZZHWXQARDDF-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000375697167 387569467 /nfs/dbraw/zinc/56/94/67/387569467.db2.gz LUYZZHWXQARDDF-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000375697168 168744268 /nfs/dbraw/zinc/74/42/68/168744268.db2.gz LUYZZHWXQARDDF-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000375697170 384089134 /nfs/dbraw/zinc/08/91/34/384089134.db2.gz LUYZZHWXQARDDF-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO c1coc([C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000375833795 387585801 /nfs/dbraw/zinc/58/58/01/387585801.db2.gz VGIMKUMILCXQQI-CYBMUJFWSA-N 1 0 219.328 3.749 20 0 BHADRO c1coc([C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000375833796 183511651 /nfs/dbraw/zinc/51/16/51/183511651.db2.gz VGIMKUMILCXQQI-ZDUSSCGKSA-N 1 0 219.328 3.749 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000376131956 357195881 /nfs/dbraw/zinc/19/58/81/357195881.db2.gz QBTLZRALKIRKNC-AWEZNQCLSA-N 1 0 246.398 3.672 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000376131957 168948012 /nfs/dbraw/zinc/94/80/12/168948012.db2.gz QBTLZRALKIRKNC-CQSZACIVSA-N 1 0 246.398 3.672 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccoc1 ZINC000376151469 387611070 /nfs/dbraw/zinc/61/10/70/387611070.db2.gz OZVJHQWPIWZAAP-JQRITLKVSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccoc1 ZINC000376151470 387611564 /nfs/dbraw/zinc/61/15/64/387611564.db2.gz OZVJHQWPIWZAAP-UWTIGNOOSA-N 1 0 241.334 3.876 20 0 BHADRO CCCCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376954467 387681616 /nfs/dbraw/zinc/68/16/16/387681616.db2.gz LCCIVRGAOINYCB-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000377125857 387691408 /nfs/dbraw/zinc/69/14/08/387691408.db2.gz JCRFGECAWWFLBQ-AWEZNQCLSA-N 1 0 239.309 3.712 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000377125858 387693622 /nfs/dbraw/zinc/69/36/22/387693622.db2.gz JCRFGECAWWFLBQ-CQSZACIVSA-N 1 0 239.309 3.712 20 0 BHADRO Cc1cc(N2Cc3cccc(Cl)c3C2)cc[nH+]1 ZINC000377138677 178122723 /nfs/dbraw/zinc/12/27/23/178122723.db2.gz FPDZCIRJLFZXES-UHFFFAOYSA-N 1 0 244.725 3.564 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CCCC23CCC3)[nH]1 ZINC000377200869 183339175 /nfs/dbraw/zinc/33/91/75/183339175.db2.gz BIHKYSUPZLCONG-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO CCC(C)(C)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000377206842 168281605 /nfs/dbraw/zinc/28/16/05/168281605.db2.gz AEEOXZUOMOKGQU-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000377694061 357237579 /nfs/dbraw/zinc/23/75/79/357237579.db2.gz KVGGORDCHHBCHZ-CABCVRRESA-N 1 0 244.382 3.797 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000377694063 387739433 /nfs/dbraw/zinc/73/94/33/387739433.db2.gz KVGGORDCHHBCHZ-GJZGRUSLSA-N 1 0 244.382 3.797 20 0 BHADRO CC1(C)CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccncc2)C1 ZINC000377694065 357237457 /nfs/dbraw/zinc/23/74/57/357237457.db2.gz KVGGORDCHHBCHZ-HUUCEWRRSA-N 1 0 244.382 3.797 20 0 BHADRO CC1(C)CC[C@H]([N@@H+]2CCC[C@@H]2c2ccncc2)C1 ZINC000377694068 188079042 /nfs/dbraw/zinc/07/90/42/188079042.db2.gz KVGGORDCHHBCHZ-LSDHHAIUSA-N 1 0 244.382 3.797 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377714663 387744485 /nfs/dbraw/zinc/74/44/85/387744485.db2.gz BTCKJZSWHOSKPI-GHMZBOCLSA-N 1 0 235.293 3.593 20 0 BHADRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1CC(C)C ZINC000377851300 387751614 /nfs/dbraw/zinc/75/16/14/387751614.db2.gz JIECYSAKTGKRIF-AWEZNQCLSA-N 1 0 249.402 3.600 20 0 BHADRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1CC(C)C ZINC000377851301 387752760 /nfs/dbraw/zinc/75/27/60/387752760.db2.gz JIECYSAKTGKRIF-CQSZACIVSA-N 1 0 249.402 3.600 20 0 BHADRO CC(C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000377951729 136322945 /nfs/dbraw/zinc/32/29/45/136322945.db2.gz VZBJOLMTNFFNOB-KXUCPTDWSA-N 1 0 243.803 3.892 20 0 BHADRO CC(C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000377951740 136322876 /nfs/dbraw/zinc/32/28/76/136322876.db2.gz VZBJOLMTNFFNOB-LPEHRKFASA-N 1 0 243.803 3.892 20 0 BHADRO Cc1cc(C=C2CC[NH+](CCC(C)C)CC2)no1 ZINC000378184233 387770335 /nfs/dbraw/zinc/77/03/35/387770335.db2.gz RTVAJGMOEZHFKT-UHFFFAOYSA-N 1 0 248.370 3.508 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000378186718 387770341 /nfs/dbraw/zinc/77/03/41/387770341.db2.gz WWOZPMHUDBEKKW-GFCCVEGCSA-N 1 0 248.370 3.508 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000378186719 171279946 /nfs/dbraw/zinc/27/99/46/171279946.db2.gz WWOZPMHUDBEKKW-LBPRGKRZSA-N 1 0 248.370 3.508 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000378338130 168350831 /nfs/dbraw/zinc/35/08/31/168350831.db2.gz RYLCWOCOQUJFPW-GFCCVEGCSA-N 1 0 238.400 3.716 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000378338135 168352357 /nfs/dbraw/zinc/35/23/57/168352357.db2.gz RYLCWOCOQUJFPW-LBPRGKRZSA-N 1 0 238.400 3.716 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)n1 ZINC000378339688 187227639 /nfs/dbraw/zinc/22/76/39/187227639.db2.gz XZVFPOMPEZZKCR-CHWSQXEVSA-N 1 0 248.395 3.636 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)n1 ZINC000378339690 387776955 /nfs/dbraw/zinc/77/69/55/387776955.db2.gz XZVFPOMPEZZKCR-OLZOCXBDSA-N 1 0 248.395 3.636 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)n1 ZINC000378339693 188079311 /nfs/dbraw/zinc/07/93/11/188079311.db2.gz XZVFPOMPEZZKCR-QWHCGFSZSA-N 1 0 248.395 3.636 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)n1 ZINC000378339696 387776488 /nfs/dbraw/zinc/77/64/88/387776488.db2.gz XZVFPOMPEZZKCR-STQMWFEESA-N 1 0 248.395 3.636 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2CCCC2CCCC2)n1 ZINC000378434718 183327192 /nfs/dbraw/zinc/32/71/92/183327192.db2.gz LMNKROAGCIBXDB-CQSZACIVSA-N 1 0 247.386 3.517 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2CCC2)CC1 ZINC000378661406 346799278 /nfs/dbraw/zinc/79/92/78/346799278.db2.gz BSJYIRGSOFUEGS-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)C2CCC2)CC1 ZINC000378661407 346799423 /nfs/dbraw/zinc/79/94/23/346799423.db2.gz BSJYIRGSOFUEGS-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC)c1ccccc1 ZINC000378661944 346799735 /nfs/dbraw/zinc/79/97/35/346799735.db2.gz CBXQETZCZULSJK-MRVWCRGKSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000378663076 346797730 /nfs/dbraw/zinc/79/77/30/346797730.db2.gz AYUKYVPUDWSGCM-UHFFFAOYSA-N 1 0 235.758 3.681 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+]CC[C@H](C)F ZINC000378663151 346797412 /nfs/dbraw/zinc/79/74/12/346797412.db2.gz CZAIZWCBCISQIH-JTQLQIEISA-N 1 0 243.753 3.740 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+]CC[C@@H](C)F ZINC000378663152 346797401 /nfs/dbraw/zinc/79/74/01/346797401.db2.gz CZAIZWCBCISQIH-SNVBAGLBSA-N 1 0 243.753 3.740 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)s1 ZINC000378664118 371012059 /nfs/dbraw/zinc/01/20/59/371012059.db2.gz DUYDDHYVHGKVKJ-NXEZZACHSA-N 1 0 229.364 3.709 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@H](C)F)s1 ZINC000378664119 371012567 /nfs/dbraw/zinc/01/25/67/371012567.db2.gz DUYDDHYVHGKVKJ-UWVGGRQHSA-N 1 0 229.364 3.709 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)s1 ZINC000378664120 371012157 /nfs/dbraw/zinc/01/21/57/371012157.db2.gz DUYDDHYVHGKVKJ-VHSXEESVSA-N 1 0 229.364 3.709 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)s1 ZINC000378664121 371012537 /nfs/dbraw/zinc/01/25/37/371012537.db2.gz DUYDDHYVHGKVKJ-ZJUUUORDSA-N 1 0 229.364 3.709 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000378664597 356640307 /nfs/dbraw/zinc/64/03/07/356640307.db2.gz FGROGMKEMNBLHD-RRFJBIMHSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1 ZINC000378666052 385457499 /nfs/dbraw/zinc/45/74/99/385457499.db2.gz GINRHMZTBXNBHZ-GGVZMXCHSA-N 1 0 245.700 3.644 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1 ZINC000378666053 385457998 /nfs/dbraw/zinc/45/79/98/385457998.db2.gz GINRHMZTBXNBHZ-SWPVVBRQSA-N 1 0 245.700 3.644 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000378666833 385458437 /nfs/dbraw/zinc/45/84/37/385458437.db2.gz GYAYUPGCHWMXSY-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378668971 388481748 /nfs/dbraw/zinc/48/17/48/388481748.db2.gz INJLBFOSIIKVCB-MKPLZMMCSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1cscc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378669042 712357117 /nfs/dbraw/zinc/35/71/17/712357117.db2.gz INJLBFOSIIKVCB-XRNSZHNASA-N 1 0 241.787 3.680 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378674732 346802219 /nfs/dbraw/zinc/80/22/19/346802219.db2.gz NTFZDGOJROPOTQ-FQUUOJAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378674733 346802153 /nfs/dbraw/zinc/80/21/53/346802153.db2.gz NTFZDGOJROPOTQ-RQJABVFESA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378674734 346802107 /nfs/dbraw/zinc/80/21/07/346802107.db2.gz NTFZDGOJROPOTQ-XJFOESAGSA-N 1 0 209.377 3.589 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H]1OC ZINC000378675975 712356823 /nfs/dbraw/zinc/35/68/23/712356823.db2.gz PDRHVZUQVSVALB-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)o1 ZINC000378676159 346802838 /nfs/dbraw/zinc/80/28/38/346802838.db2.gz PJEVOTXAULGPSO-IJLUTSLNSA-N 1 0 225.307 3.519 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)o1 ZINC000378676160 346802898 /nfs/dbraw/zinc/80/28/98/346802898.db2.gz PJEVOTXAULGPSO-QJPTWQEYSA-N 1 0 225.307 3.519 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000378677286 346802706 /nfs/dbraw/zinc/80/27/06/346802706.db2.gz QRJSDEGBYLCAIP-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000378680394 346805590 /nfs/dbraw/zinc/80/55/90/346805590.db2.gz VJAVIBFMVKQCTM-AVGNSLFASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000378680395 346805516 /nfs/dbraw/zinc/80/55/16/346805516.db2.gz VJAVIBFMVKQCTM-JHJVBQTASA-N 1 0 209.377 3.733 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378680497 712357507 /nfs/dbraw/zinc/35/75/07/712357507.db2.gz VMASLBGPXWMYPH-DCAQKATOSA-N 1 0 219.319 3.589 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378680500 712357330 /nfs/dbraw/zinc/35/73/30/712357330.db2.gz VMASLBGPXWMYPH-VWYCJHECSA-N 1 0 219.319 3.589 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000378681147 346805687 /nfs/dbraw/zinc/80/56/87/346805687.db2.gz WIKXMOPYMLGWHL-GGVZMXCHSA-N 1 0 245.338 3.669 20 0 BHADRO CSc1ccc(C[NH2+]C2(C(C)C)CC2)s1 ZINC000378681980 346805885 /nfs/dbraw/zinc/80/58/85/346805885.db2.gz XKBWBQJBVJLXKI-UHFFFAOYSA-N 1 0 241.425 3.748 20 0 BHADRO CCc1cccc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000378683841 388482479 /nfs/dbraw/zinc/48/24/79/388482479.db2.gz ZOSIUJFNQCZPTR-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]CC2CCC2)c1 ZINC000378684074 345460774 /nfs/dbraw/zinc/46/07/74/345460774.db2.gz ZZNMLJZYNAFPMT-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378684701 346808004 /nfs/dbraw/zinc/80/80/04/346808004.db2.gz BSTUBRZJFNELJW-XQQFMLRXSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000378686752 346806485 /nfs/dbraw/zinc/80/64/85/346806485.db2.gz FLIWUNSGXPXKQK-CLRIEMFWSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@@H](C[NH2+]Cc1ccc(C(C)C)cc1)OC ZINC000378687163 346806321 /nfs/dbraw/zinc/80/63/21/346806321.db2.gz FTRRHZSIEDCXNM-INIZCTEOSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@H](C[NH2+]Cc1ccc(C(C)C)cc1)OC ZINC000378687164 346806341 /nfs/dbraw/zinc/80/63/41/346806341.db2.gz FTRRHZSIEDCXNM-MRXNPFEDSA-N 1 0 249.398 3.715 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000378687167 346806850 /nfs/dbraw/zinc/80/68/50/346806850.db2.gz FTTPDXKSXNRTDE-QJPTWQEYSA-N 1 0 239.359 3.606 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000378687168 346806503 /nfs/dbraw/zinc/80/65/03/346806503.db2.gz FTTPDXKSXNRTDE-SDDRHHMPSA-N 1 0 239.359 3.606 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1C)OC ZINC000378690263 346809887 /nfs/dbraw/zinc/80/98/87/346809887.db2.gz IBCVGWZIBFRALG-CABCVRRESA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1C)OC ZINC000378690264 346810320 /nfs/dbraw/zinc/81/03/20/346810320.db2.gz IBCVGWZIBFRALG-GJZGRUSLSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1C)OC ZINC000378690265 346809949 /nfs/dbraw/zinc/80/99/49/346809949.db2.gz IBCVGWZIBFRALG-HUUCEWRRSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1C)OC ZINC000378690266 346809974 /nfs/dbraw/zinc/80/99/74/346809974.db2.gz IBCVGWZIBFRALG-LSDHHAIUSA-N 1 0 249.398 3.769 20 0 BHADRO CCc1ccc(C[NH2+]C2(C(C)C)CC2)s1 ZINC000378692872 346808073 /nfs/dbraw/zinc/80/80/73/346808073.db2.gz JOUPBIWCEMDUHX-UHFFFAOYSA-N 1 0 223.385 3.589 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1C)OC ZINC000378694531 388482967 /nfs/dbraw/zinc/48/29/67/388482967.db2.gz KHYHVASUGYMFIU-CABCVRRESA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1C)OC ZINC000378694532 388482085 /nfs/dbraw/zinc/48/20/85/388482085.db2.gz KHYHVASUGYMFIU-GJZGRUSLSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1C)OC ZINC000378694533 388482279 /nfs/dbraw/zinc/48/22/79/388482279.db2.gz KHYHVASUGYMFIU-HUUCEWRRSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1C)OC ZINC000378694534 388482775 /nfs/dbraw/zinc/48/27/75/388482775.db2.gz KHYHVASUGYMFIU-LSDHHAIUSA-N 1 0 249.398 3.769 20 0 BHADRO CCc1ccc(C[NH2+]C2(C(C)C)CC2)cc1 ZINC000378694556 346809523 /nfs/dbraw/zinc/80/95/23/346809523.db2.gz KIPKUHJEQYZCAN-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO CCC[C@@H](C[NH2+]Cc1c(C)cc(C)cc1C)OC ZINC000378695895 346809347 /nfs/dbraw/zinc/80/93/47/346809347.db2.gz KYDUDFLYDVJMOD-HNNXBMFYSA-N 1 0 249.398 3.517 20 0 BHADRO CCC[C@H](C[NH2+]Cc1c(C)cc(C)cc1C)OC ZINC000378695898 346809053 /nfs/dbraw/zinc/80/90/53/346809053.db2.gz KYDUDFLYDVJMOD-OAHLLOKOSA-N 1 0 249.398 3.517 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378698228 346810247 /nfs/dbraw/zinc/81/02/47/346810247.db2.gz MAGHKGNXXWQUOO-LOWDOPEQSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378698229 346809996 /nfs/dbraw/zinc/80/99/96/346809996.db2.gz MAGHKGNXXWQUOO-LPWJVIDDSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378698230 346810001 /nfs/dbraw/zinc/81/00/01/346810001.db2.gz MAGHKGNXXWQUOO-MROQNXINSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378698231 346810311 /nfs/dbraw/zinc/81/03/11/346810311.db2.gz MAGHKGNXXWQUOO-NDBYEHHHSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000378698232 346809937 /nfs/dbraw/zinc/80/99/37/346809937.db2.gz MAGHKGNXXWQUOO-RNJOBUHISA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378698233 346810295 /nfs/dbraw/zinc/81/02/95/346810295.db2.gz MAGHKGNXXWQUOO-WUHRBBMRSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378698234 346810297 /nfs/dbraw/zinc/81/02/97/346810297.db2.gz MAGHKGNXXWQUOO-YVECIDJPSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378698235 346809984 /nfs/dbraw/zinc/80/99/84/346809984.db2.gz MAGHKGNXXWQUOO-ZDEQEGDKSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCF ZINC000378711992 346812311 /nfs/dbraw/zinc/81/23/11/346812311.db2.gz UMYKPURTRKQIKB-MCIONIFRSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCF ZINC000378711993 346812620 /nfs/dbraw/zinc/81/26/20/346812620.db2.gz UMYKPURTRKQIKB-MGPQQGTHSA-N 1 0 229.383 3.787 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1cc(C)cc(C)c1)OC ZINC000378713701 346813474 /nfs/dbraw/zinc/81/34/74/346813474.db2.gz WIXZZMWBIFSALP-GDBMZVCRSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1cc(C)cc(C)c1)OC ZINC000378713702 346813542 /nfs/dbraw/zinc/81/35/42/346813542.db2.gz WIXZZMWBIFSALP-GOEBONIOSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(C)cc(C)c1)OC ZINC000378713703 346813612 /nfs/dbraw/zinc/81/36/12/346813612.db2.gz WIXZZMWBIFSALP-HOCLYGCPSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1cc(C)cc(C)c1)OC ZINC000378713704 346813345 /nfs/dbraw/zinc/81/33/45/346813345.db2.gz WIXZZMWBIFSALP-ZBFHGGJFSA-N 1 0 249.398 3.769 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@@H]2C(F)F)CCCCCC1 ZINC000378714324 346813244 /nfs/dbraw/zinc/81/32/44/346813244.db2.gz XDPQLCHNOJUWOH-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000378714482 388484796 /nfs/dbraw/zinc/48/47/96/388484796.db2.gz XIMIUPSUBGIGKH-NNYUYHANSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000378714483 488101290 /nfs/dbraw/zinc/10/12/90/488101290.db2.gz XIMIUPSUBGIGKH-YFKTTZPYSA-N 1 0 221.369 3.587 20 0 BHADRO CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378715375 346814317 /nfs/dbraw/zinc/81/43/17/346814317.db2.gz YKZMCYJNAUNDNM-KXUCPTDWSA-N 1 0 243.803 3.893 20 0 BHADRO CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378715376 346814209 /nfs/dbraw/zinc/81/42/09/346814209.db2.gz YKZMCYJNAUNDNM-LPEHRKFASA-N 1 0 243.803 3.893 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000378715725 356685215 /nfs/dbraw/zinc/68/52/15/356685215.db2.gz YYBYCCDAMYYJEG-LOWDOPEQSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000378715726 346814211 /nfs/dbraw/zinc/81/42/11/346814211.db2.gz YYBYCCDAMYYJEG-LPWJVIDDSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000378715727 346814476 /nfs/dbraw/zinc/81/44/76/346814476.db2.gz YYBYCCDAMYYJEG-NDBYEHHHSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000378715728 346814228 /nfs/dbraw/zinc/81/42/28/346814228.db2.gz YYBYCCDAMYYJEG-RNJOBUHISA-N 1 0 215.356 3.681 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378721556 712358506 /nfs/dbraw/zinc/35/85/06/712358506.db2.gz GLHUHLFZLDTBOR-FQUUOJAGSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378721557 712357999 /nfs/dbraw/zinc/35/79/99/712357999.db2.gz GLHUHLFZLDTBOR-RQJABVFESA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378721558 712358529 /nfs/dbraw/zinc/35/85/29/712358529.db2.gz GLHUHLFZLDTBOR-XJFOESAGSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2F)c(C)s1 ZINC000378723401 346817993 /nfs/dbraw/zinc/81/79/93/346817993.db2.gz HJKQRGKSGUJEEP-CHWSQXEVSA-N 1 0 241.375 3.735 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378723425 346817722 /nfs/dbraw/zinc/81/77/22/346817722.db2.gz HKDMEJDREQRBHE-IVZWLZJFSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378723426 346817696 /nfs/dbraw/zinc/81/76/96/346817696.db2.gz HKDMEJDREQRBHE-OPRDCNLKSA-N 1 0 241.272 3.588 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000378723475 712358462 /nfs/dbraw/zinc/35/84/62/712358462.db2.gz HNRVXFDSBLWWHO-HXASAQQASA-N 1 0 235.758 3.665 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378724432 346817986 /nfs/dbraw/zinc/81/79/86/346817986.db2.gz CPURNJFHMMVSCQ-BTFPBAQTSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378724433 356693072 /nfs/dbraw/zinc/69/30/72/356693072.db2.gz CPURNJFHMMVSCQ-LXFSFDBISA-N 1 0 221.388 3.733 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC[C@@H](C(C)C)C1)OC ZINC000378726009 346816184 /nfs/dbraw/zinc/81/61/84/346816184.db2.gz BBEBJKJIKNBPBI-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1)OC ZINC000378726010 346816024 /nfs/dbraw/zinc/81/60/24/346816024.db2.gz BBEBJKJIKNBPBI-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC[C@H](C(C)C)C1)OC ZINC000378726012 346815901 /nfs/dbraw/zinc/81/59/01/346815901.db2.gz BBEBJKJIKNBPBI-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC[C@H](C(C)C)C1)OC ZINC000378726013 346816243 /nfs/dbraw/zinc/81/62/43/346816243.db2.gz BBEBJKJIKNBPBI-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1sccc1CNC1(C(F)F)CCCC1 ZINC000378728647 385479130 /nfs/dbraw/zinc/47/91/30/385479130.db2.gz CFDNZHFSSSUYDL-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000378730556 346819593 /nfs/dbraw/zinc/81/95/93/346819593.db2.gz AQERFHUBVIFVJS-JTQLQIEISA-N 1 0 243.391 3.883 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000378730558 346819944 /nfs/dbraw/zinc/81/99/44/346819944.db2.gz AQERFHUBVIFVJS-SNVBAGLBSA-N 1 0 243.391 3.883 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378730595 346819432 /nfs/dbraw/zinc/81/94/32/346819432.db2.gz AQYUHHHKASLFKJ-CYBMUJFWSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378730596 346819851 /nfs/dbraw/zinc/81/98/51/346819851.db2.gz AQYUHHHKASLFKJ-ZDUSSCGKSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)C1CCC([NH2+]CC[C@H](C)F)CC1 ZINC000378733119 346820701 /nfs/dbraw/zinc/82/07/01/346820701.db2.gz BMGUBAXBKYUSEH-HIFPTAJRSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC000378733120 346820507 /nfs/dbraw/zinc/82/05/07/346820507.db2.gz BMGUBAXBKYUSEH-PNESKVBLSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1CCCC1(C)C ZINC000378737220 388490324 /nfs/dbraw/zinc/49/03/24/388490324.db2.gz NLWZYHPYXUDHBI-GFCCVEGCSA-N 1 0 221.344 3.504 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1CCCC1(C)C ZINC000378737221 388490006 /nfs/dbraw/zinc/49/00/06/388490006.db2.gz NLWZYHPYXUDHBI-LBPRGKRZSA-N 1 0 221.344 3.504 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000378737304 346818537 /nfs/dbraw/zinc/81/85/37/346818537.db2.gz HBNUZLGQEHIUJD-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](F)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000378737305 346818481 /nfs/dbraw/zinc/81/84/81/346818481.db2.gz HBNUZLGQEHIUJD-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](F)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000378737306 346818635 /nfs/dbraw/zinc/81/86/35/346818635.db2.gz HBNUZLGQEHIUJD-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000378737307 346818970 /nfs/dbraw/zinc/81/89/70/346818970.db2.gz HBNUZLGQEHIUJD-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCC1 ZINC000378738591 346819840 /nfs/dbraw/zinc/81/98/40/346819840.db2.gz OAMOUIQEUAMHGJ-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCC1 ZINC000378738594 346819765 /nfs/dbraw/zinc/81/97/65/346819765.db2.gz OAMOUIQEUAMHGJ-TUAOUCFPSA-N 1 0 231.330 3.589 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000378738747 346819918 /nfs/dbraw/zinc/81/99/18/346819918.db2.gz HVVSGQTZZHDWJP-AGIUHOORSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000378738750 346819759 /nfs/dbraw/zinc/81/97/59/346819759.db2.gz HVVSGQTZZHDWJP-FRRDWIJNSA-N 1 0 225.351 3.580 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000378739692 356694185 /nfs/dbraw/zinc/69/41/85/356694185.db2.gz IJFUEHNUYVYRSN-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000378740135 345549322 /nfs/dbraw/zinc/54/93/22/345549322.db2.gz OSYDRBYLNNJKMX-UHFFFAOYSA-N 1 0 245.700 3.536 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000378741999 346821169 /nfs/dbraw/zinc/82/11/69/346821169.db2.gz PRRRTBPAQAJFPB-NXEZZACHSA-N 1 0 247.766 3.772 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378742005 346821690 /nfs/dbraw/zinc/82/16/90/346821690.db2.gz PRUOXGOQVPALSH-RYUDHWBXSA-N 1 0 233.346 3.690 20 0 BHADRO CCC[C@@H](C[NH2+]C(CC(C)C)CC(C)C)OC ZINC000378743244 346821701 /nfs/dbraw/zinc/82/17/01/346821701.db2.gz KCJMDQVBAJQHIJ-HNNXBMFYSA-N 1 0 243.435 3.852 20 0 BHADRO CCC[C@H](C[NH2+]C(CC(C)C)CC(C)C)OC ZINC000378743248 346821682 /nfs/dbraw/zinc/82/16/82/346821682.db2.gz KCJMDQVBAJQHIJ-OAHLLOKOSA-N 1 0 243.435 3.852 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000378743617 346821301 /nfs/dbraw/zinc/82/13/01/346821301.db2.gz KITCBUVOGWTYMQ-PKSQDBQZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000378743619 346821026 /nfs/dbraw/zinc/82/10/26/346821026.db2.gz KITCBUVOGWTYMQ-QFWMXSHPSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1sccc1C[NH2+]CCSC(C)(C)C ZINC000378746848 712358876 /nfs/dbraw/zinc/35/88/76/712358876.db2.gz MFZFXGHZAMQDIT-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378747447 346822278 /nfs/dbraw/zinc/82/22/78/346822278.db2.gz SAZIKSQZNHOQEP-FQUUOJAGSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378747461 346822273 /nfs/dbraw/zinc/82/22/73/346822273.db2.gz SAZIKSQZNHOQEP-IGQOVBAYSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378747463 346822027 /nfs/dbraw/zinc/82/20/27/346822027.db2.gz SAZIKSQZNHOQEP-RQJABVFESA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378747465 346822046 /nfs/dbraw/zinc/82/20/46/346822046.db2.gz SAZIKSQZNHOQEP-XJFOESAGSA-N 1 0 223.404 3.979 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000378748053 346823072 /nfs/dbraw/zinc/82/30/72/346823072.db2.gz MWVCQOTZHCBYCM-GFCCVEGCSA-N 1 0 223.385 3.664 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000378748055 346823063 /nfs/dbraw/zinc/82/30/63/346823063.db2.gz MWVCQOTZHCBYCM-LBPRGKRZSA-N 1 0 223.385 3.664 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)OC ZINC000378748457 388495232 /nfs/dbraw/zinc/49/52/32/388495232.db2.gz NBTKUWXJRONBDX-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000378748459 388495814 /nfs/dbraw/zinc/49/58/14/388495814.db2.gz NBTKUWXJRONBDX-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)OC ZINC000378748461 388495426 /nfs/dbraw/zinc/49/54/26/388495426.db2.gz NBTKUWXJRONBDX-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000378748462 388495102 /nfs/dbraw/zinc/49/51/02/388495102.db2.gz NBTKUWXJRONBDX-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C[NH2+]CC1CCC(C)(C)CC1)OC ZINC000378750415 346822374 /nfs/dbraw/zinc/82/23/74/346822374.db2.gz OFRNFUYNXFMWIB-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C[NH2+]CC1CCC(C)(C)CC1)OC ZINC000378750416 346822228 /nfs/dbraw/zinc/82/22/28/346822228.db2.gz OFRNFUYNXFMWIB-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000378750883 346827022 /nfs/dbraw/zinc/82/70/22/346827022.db2.gz UTNMOCVYYNANNW-LSDHHAIUSA-N 1 0 217.356 3.712 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378751461 712359218 /nfs/dbraw/zinc/35/92/18/712359218.db2.gz VBOQFGVXNFTCQV-GHMZBOCLSA-N 1 0 241.375 3.536 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378751462 712358808 /nfs/dbraw/zinc/35/88/08/712358808.db2.gz VBOQFGVXNFTCQV-MNOVXSKESA-N 1 0 241.375 3.536 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378751463 712358786 /nfs/dbraw/zinc/35/87/86/712358786.db2.gz VBOQFGVXNFTCQV-QWRGUYRKSA-N 1 0 241.375 3.536 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378751464 712359132 /nfs/dbraw/zinc/35/91/32/712359132.db2.gz VBOQFGVXNFTCQV-WDEREUQCSA-N 1 0 241.375 3.536 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378751999 346827355 /nfs/dbraw/zinc/82/73/55/346827355.db2.gz VKQGLWIWOMCYCG-BARDWOONSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378752000 346827271 /nfs/dbraw/zinc/82/72/71/346827271.db2.gz VKQGLWIWOMCYCG-BYNSBNAKSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378752001 346827360 /nfs/dbraw/zinc/82/73/60/346827360.db2.gz VKQGLWIWOMCYCG-LXTVHRRPSA-N 1 0 221.388 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378752002 346827216 /nfs/dbraw/zinc/82/72/16/346827216.db2.gz VKQGLWIWOMCYCG-XQLPTFJDSA-N 1 0 221.388 3.900 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000378752357 712359205 /nfs/dbraw/zinc/35/92/05/712359205.db2.gz POKLXPQIFRESIX-LLVKDONJSA-N 1 0 221.319 3.727 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCCC1 ZINC000378752358 712359079 /nfs/dbraw/zinc/35/90/79/712359079.db2.gz POKLXPQIFRESIX-NSHDSACASA-N 1 0 221.319 3.727 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000378752490 346826983 /nfs/dbraw/zinc/82/69/83/346826983.db2.gz VUXKOWZWVCCCFX-AXFHLTTASA-N 1 0 245.338 3.833 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCCCF ZINC000378753115 356979144 /nfs/dbraw/zinc/97/91/44/356979144.db2.gz WELCHXUIGYTXKW-UHFFFAOYSA-N 1 0 223.335 3.569 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000378753798 346823773 /nfs/dbraw/zinc/82/37/73/346823773.db2.gz QPEQUBGFJUAQRF-NOZJJQNGSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000378753807 346824008 /nfs/dbraw/zinc/82/40/08/346824008.db2.gz QPEQUBGFJUAQRF-RNCFNFMXSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000378753809 346824125 /nfs/dbraw/zinc/82/41/25/346824125.db2.gz QPEQUBGFJUAQRF-TVQRCGJNSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000378753810 346823979 /nfs/dbraw/zinc/82/39/79/346823979.db2.gz QPEQUBGFJUAQRF-ZANVPECISA-N 1 0 241.737 3.665 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000378755147 346825058 /nfs/dbraw/zinc/82/50/58/346825058.db2.gz RPSIHPDTLLPDMJ-CYBMUJFWSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000378755149 346825191 /nfs/dbraw/zinc/82/51/91/346825191.db2.gz RPSIHPDTLLPDMJ-ZDUSSCGKSA-N 1 0 221.388 3.591 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378756812 346824800 /nfs/dbraw/zinc/82/48/00/346824800.db2.gz YNMSOJJVQBHVEH-LOWDOPEQSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378756813 346824779 /nfs/dbraw/zinc/82/47/79/346824779.db2.gz YNMSOJJVQBHVEH-QNWHQSFQSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378756814 346825648 /nfs/dbraw/zinc/82/56/48/346825648.db2.gz YNMSOJJVQBHVEH-RNJOBUHISA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378756815 346825590 /nfs/dbraw/zinc/82/55/90/346825590.db2.gz YNMSOJJVQBHVEH-UMSGYPCISA-N 1 0 241.444 3.542 20 0 BHADRO CCC[C@@H](C[NH2+]CC1CCCCCCC1)OC ZINC000378757670 712361010 /nfs/dbraw/zinc/36/10/10/712361010.db2.gz UBZMMOSYFPRRCH-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H](C[NH2+]CC1CCCCCCC1)OC ZINC000378757672 712361300 /nfs/dbraw/zinc/36/13/00/712361300.db2.gz UBZMMOSYFPRRCH-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccoc1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000378757810 487665579 /nfs/dbraw/zinc/66/55/79/487665579.db2.gz ZCAZXFNCZBZOQL-UHFFFAOYSA-N 1 0 221.344 3.502 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CCC(C)C)C1CC1)OC ZINC000378758544 371019257 /nfs/dbraw/zinc/01/92/57/371019257.db2.gz UREHKVHLLCQYPC-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CCC(C)C)C1CC1)OC ZINC000378758545 371019067 /nfs/dbraw/zinc/01/90/67/371019067.db2.gz UREHKVHLLCQYPC-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CCC(C)C)C1CC1)OC ZINC000378758546 371018932 /nfs/dbraw/zinc/01/89/32/371018932.db2.gz UREHKVHLLCQYPC-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CCC(C)C)C1CC1)OC ZINC000378758547 371019052 /nfs/dbraw/zinc/01/90/52/371019052.db2.gz UREHKVHLLCQYPC-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000378760369 346827245 /nfs/dbraw/zinc/82/72/45/346827245.db2.gz VRBKFKMYJYMPCJ-DRZSPHRISA-N 1 0 235.396 3.753 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000378760372 346827268 /nfs/dbraw/zinc/82/72/68/346827268.db2.gz VRBKFKMYJYMPCJ-WXHSDQCUSA-N 1 0 235.396 3.753 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)C)OC ZINC000378765315 346829349 /nfs/dbraw/zinc/82/93/49/346829349.db2.gz XYCLQQXZLLACGS-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)C)OC ZINC000378765316 346829000 /nfs/dbraw/zinc/82/90/00/346829000.db2.gz XYCLQQXZLLACGS-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)C)OC ZINC000378765318 346829173 /nfs/dbraw/zinc/82/91/73/346829173.db2.gz XYCLQQXZLLACGS-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)C)OC ZINC000378765320 346829189 /nfs/dbraw/zinc/82/91/89/346829189.db2.gz XYCLQQXZLLACGS-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000378767933 346827005 /nfs/dbraw/zinc/82/70/05/346827005.db2.gz DMHIHUJIALPYJH-VHDGCEQUSA-N 1 0 217.356 3.711 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCC1CC1 ZINC000378767990 388500230 /nfs/dbraw/zinc/50/02/30/388500230.db2.gz DOOIOYGJQQKMLU-UHFFFAOYSA-N 1 0 217.356 3.620 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000378768658 346827348 /nfs/dbraw/zinc/82/73/48/346827348.db2.gz ZGJXBNVCFPDMHG-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378769414 346827735 /nfs/dbraw/zinc/82/77/35/346827735.db2.gz FCUKTSDMVKTMDD-LOWDOPEQSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378769415 346827760 /nfs/dbraw/zinc/82/77/60/346827760.db2.gz FCUKTSDMVKTMDD-QNWHQSFQSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378769416 346827754 /nfs/dbraw/zinc/82/77/54/346827754.db2.gz FCUKTSDMVKTMDD-RNJOBUHISA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)(C)C ZINC000378769417 346827581 /nfs/dbraw/zinc/82/75/81/346827581.db2.gz FCUKTSDMVKTMDD-UMSGYPCISA-N 1 0 209.377 3.589 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378771196 397829487 /nfs/dbraw/zinc/82/94/87/397829487.db2.gz FWNOFTWVQXYLOH-QEJZJMRPSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000378771931 346829878 /nfs/dbraw/zinc/82/98/78/346829878.db2.gz CLWKENNISHGQTA-CYBMUJFWSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000378771932 346830156 /nfs/dbraw/zinc/83/01/56/346830156.db2.gz CLWKENNISHGQTA-ZDUSSCGKSA-N 1 0 217.356 3.834 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000378772258 346831817 /nfs/dbraw/zinc/83/18/17/346831817.db2.gz CTQZHDHEWNFUKF-BFHYXJOUSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000378772259 346831457 /nfs/dbraw/zinc/83/14/57/346831457.db2.gz CTQZHDHEWNFUKF-MCIONIFRSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000378772260 346831433 /nfs/dbraw/zinc/83/14/33/346831433.db2.gz CTQZHDHEWNFUKF-MELADBBJSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000378772261 346831908 /nfs/dbraw/zinc/83/19/08/346831908.db2.gz CTQZHDHEWNFUKF-RDBSUJKOSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]1F ZINC000378772786 346831803 /nfs/dbraw/zinc/83/18/03/346831803.db2.gz CXIIUCHUEHCTEH-TUAOUCFPSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]1F ZINC000378772788 346831894 /nfs/dbraw/zinc/83/18/94/346831894.db2.gz CXIIUCHUEHCTEH-UTUOFQBUSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(F)F)C1CCCCC1 ZINC000378773407 346831822 /nfs/dbraw/zinc/83/18/22/346831822.db2.gz DBXKKZXCSYVOMS-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]([NH2+]CC(C)(F)F)C1CCCCC1 ZINC000378773408 346831466 /nfs/dbraw/zinc/83/14/66/346831466.db2.gz DBXKKZXCSYVOMS-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000378776323 346830137 /nfs/dbraw/zinc/83/01/37/346830137.db2.gz FKBVNNXMWVCUOM-LLVKDONJSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000378776324 346830003 /nfs/dbraw/zinc/83/00/03/346830003.db2.gz FKBVNNXMWVCUOM-NSHDSACASA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cncs2)CC1 ZINC000378776663 346830055 /nfs/dbraw/zinc/83/00/55/346830055.db2.gz HRQQYJNOPCTVQR-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cncs2)CC1 ZINC000378776664 346829864 /nfs/dbraw/zinc/82/98/64/346829864.db2.gz HRQQYJNOPCTVQR-SRVKXCTJSA-N 1 0 238.400 3.763 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[C@H](C)F ZINC000378776759 357160926 /nfs/dbraw/zinc/16/09/26/357160926.db2.gz FNCZJSXVNUOHRM-AVGNSLFASA-N 1 0 217.372 3.785 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[C@H](C)F ZINC000378776763 346829888 /nfs/dbraw/zinc/82/98/88/346829888.db2.gz FNCZJSXVNUOHRM-RWMBFGLXSA-N 1 0 217.372 3.785 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[C@@H](C)F ZINC000378776764 346830052 /nfs/dbraw/zinc/83/00/52/346830052.db2.gz FNCZJSXVNUOHRM-XQQFMLRXSA-N 1 0 217.372 3.785 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000378776766 346829971 /nfs/dbraw/zinc/82/99/71/346829971.db2.gz FNCZJSXVNUOHRM-YNEHKIRRSA-N 1 0 217.372 3.785 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378779394 346830593 /nfs/dbraw/zinc/83/05/93/346830593.db2.gz IVWBJBCGWAUWGM-MEBFFEOJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378779399 346830828 /nfs/dbraw/zinc/83/08/28/346830828.db2.gz IVWBJBCGWAUWGM-QSLWVIQJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378779400 346830662 /nfs/dbraw/zinc/83/06/62/346830662.db2.gz IVWBJBCGWAUWGM-VJTDZRGJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378779403 346830812 /nfs/dbraw/zinc/83/08/12/346830812.db2.gz IVWBJBCGWAUWGM-YHQUGGNUSA-N 1 0 209.377 3.589 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000378779964 346830814 /nfs/dbraw/zinc/83/08/14/346830814.db2.gz FLIWUNSGXPXKQK-PQAZSJQKSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CCCCCC1 ZINC000378782223 346834061 /nfs/dbraw/zinc/83/40/61/346834061.db2.gz FYDCKTANRQZSEG-FPMFFAJLSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CCCCCC1 ZINC000378782224 346834067 /nfs/dbraw/zinc/83/40/67/346834067.db2.gz FYDCKTANRQZSEG-KWCYVHTRSA-N 1 0 227.367 3.826 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)s1 ZINC000378782333 345559439 /nfs/dbraw/zinc/55/94/39/345559439.db2.gz OJBYJYYRBMCELT-MXWKQRLJSA-N 1 0 227.348 3.598 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378783416 346834246 /nfs/dbraw/zinc/83/42/46/346834246.db2.gz IPGYJUPBKGEPCY-CYBMUJFWSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378783417 345559416 /nfs/dbraw/zinc/55/94/16/345559416.db2.gz IPGYJUPBKGEPCY-ZDUSSCGKSA-N 1 0 209.377 3.900 20 0 BHADRO C[C@@H]([NH2+]CC(C)(F)F)[C@@H](C)C1CCCCC1 ZINC000378784919 346832417 /nfs/dbraw/zinc/83/24/17/346832417.db2.gz JHFXULNINANYBN-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]CC(C)(F)F)[C@@H](C)C1CCCCC1 ZINC000378784920 346832462 /nfs/dbraw/zinc/83/24/62/346832462.db2.gz JHFXULNINANYBN-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]CC(C)(F)F)C1CCCCC1 ZINC000378784921 346832341 /nfs/dbraw/zinc/83/23/41/346832341.db2.gz JHFXULNINANYBN-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CC(C)(F)F)[C@H](C)C1CCCCC1 ZINC000378784922 346832432 /nfs/dbraw/zinc/83/24/32/346832432.db2.gz JHFXULNINANYBN-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378785132 346832683 /nfs/dbraw/zinc/83/26/83/346832683.db2.gz KXIKUUYKYQOLPO-BJDJZHNGSA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378785134 346832408 /nfs/dbraw/zinc/83/24/08/346832408.db2.gz KXIKUUYKYQOLPO-RHYQMDGZSA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378785136 346832494 /nfs/dbraw/zinc/83/24/94/346832494.db2.gz KXIKUUYKYQOLPO-USZNOCQGSA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378785137 346832623 /nfs/dbraw/zinc/83/26/23/346832623.db2.gz KXIKUUYKYQOLPO-WYUUTHIRSA-N 1 0 233.346 3.690 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000378787381 346832504 /nfs/dbraw/zinc/83/25/04/346832504.db2.gz HGRDUIPQASIOBP-FPMFFAJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000378787382 346832309 /nfs/dbraw/zinc/83/23/09/346832309.db2.gz HGRDUIPQASIOBP-KWCYVHTRSA-N 1 0 221.319 3.536 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000378789018 346833373 /nfs/dbraw/zinc/83/33/73/346833373.db2.gz MPDMSSADZCUJBR-CHWSQXEVSA-N 1 0 225.351 3.580 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378790098 388505072 /nfs/dbraw/zinc/50/50/72/388505072.db2.gz IADJLOPFHSPZEY-GARJFASQSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378790099 388505340 /nfs/dbraw/zinc/50/53/40/388505340.db2.gz IADJLOPFHSPZEY-OUAUKWLOSA-N 1 0 227.348 3.598 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1Cl ZINC000378792071 346834273 /nfs/dbraw/zinc/83/42/73/346834273.db2.gz QVUQQGPRQJPOGW-BIMULSAOSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1Cl ZINC000378792073 346833888 /nfs/dbraw/zinc/83/38/88/346833888.db2.gz QVUQQGPRQJPOGW-WQAKAFBOSA-N 1 0 241.737 3.881 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378792858 346834695 /nfs/dbraw/zinc/83/46/95/346834695.db2.gz OQFKJYKXDAFLGB-BFHYXJOUSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378792859 346834558 /nfs/dbraw/zinc/83/45/58/346834558.db2.gz OQFKJYKXDAFLGB-MJBXVCDLSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378793000 345572956 /nfs/dbraw/zinc/57/29/56/345572956.db2.gz REZFMYKINCIBRT-MEBFFEOJSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378793001 346834603 /nfs/dbraw/zinc/83/46/03/346834603.db2.gz REZFMYKINCIBRT-RGDJUOJXSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378793002 345572940 /nfs/dbraw/zinc/57/29/40/345572940.db2.gz REZFMYKINCIBRT-RKQHYHRCSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378793004 346834565 /nfs/dbraw/zinc/83/45/65/346834565.db2.gz REZFMYKINCIBRT-VJTDZRGJSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000378793515 345572768 /nfs/dbraw/zinc/57/27/68/345572768.db2.gz PADKOFJMJNTCNB-CYUUQNCZSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000378793516 345572957 /nfs/dbraw/zinc/57/29/57/345572957.db2.gz PADKOFJMJNTCNB-MXAVVETBSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000378793517 345572879 /nfs/dbraw/zinc/57/28/79/345572879.db2.gz PADKOFJMJNTCNB-NGFQHRJXSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000378793518 345572936 /nfs/dbraw/zinc/57/29/36/345572936.db2.gz PADKOFJMJNTCNB-NMFUWQPSSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000378793626 388506650 /nfs/dbraw/zinc/50/66/50/388506650.db2.gz OOBWQYFJUXJEPI-BPCQOVAHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000378793627 388506693 /nfs/dbraw/zinc/50/66/93/388506693.db2.gz OOBWQYFJUXJEPI-WXRRBKDZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](NCC(C)(F)F)c1ccc(Cl)cc1 ZINC000378794514 345572717 /nfs/dbraw/zinc/57/27/17/345572717.db2.gz PHNROMDYVJXSFY-MRVPVSSYSA-N 1 0 233.689 3.646 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C1(C(C)C)CC1 ZINC000378795744 385512493 /nfs/dbraw/zinc/51/24/93/385512493.db2.gz QGMXTXRVAWXKEB-GFCCVEGCSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C1(C(C)C)CC1 ZINC000378795751 388503817 /nfs/dbraw/zinc/50/38/17/388503817.db2.gz QGMXTXRVAWXKEB-LBPRGKRZSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2nccs2)CC1 ZINC000378795880 346835322 /nfs/dbraw/zinc/83/53/22/346835322.db2.gz QLDTYUOBXBWCHA-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2nccs2)CC1 ZINC000378795881 346835237 /nfs/dbraw/zinc/83/52/37/346835237.db2.gz QLDTYUOBXBWCHA-SRVKXCTJSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000378796214 346835467 /nfs/dbraw/zinc/83/54/67/346835467.db2.gz QMDPTIPTESTFGC-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000378796216 346835507 /nfs/dbraw/zinc/83/55/07/346835507.db2.gz QMDPTIPTESTFGC-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000378796217 346835172 /nfs/dbraw/zinc/83/51/72/346835172.db2.gz QMDPTIPTESTFGC-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000378796220 346835541 /nfs/dbraw/zinc/83/55/41/346835541.db2.gz QMDPTIPTESTFGC-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378796415 346835193 /nfs/dbraw/zinc/83/51/93/346835193.db2.gz SGZFXZGWIWPHGQ-MGYRSQIZSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378796416 346834980 /nfs/dbraw/zinc/83/49/80/346834980.db2.gz SGZFXZGWIWPHGQ-YOMYCBHVSA-N 1 0 221.388 3.589 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000378796665 346835565 /nfs/dbraw/zinc/83/55/65/346835565.db2.gz QXCAFQRAEUJEOH-JHJVBQTASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000378796666 346835457 /nfs/dbraw/zinc/83/54/57/346835457.db2.gz QXCAFQRAEUJEOH-UPJWGTAASA-N 1 0 225.351 3.580 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CC1CCC1 ZINC000378797320 346836183 /nfs/dbraw/zinc/83/61/83/346836183.db2.gz RHPBDQCVEQXKJD-UHFFFAOYSA-N 1 0 217.356 3.620 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CC(C)(F)F ZINC000378798791 346836319 /nfs/dbraw/zinc/83/63/19/346836319.db2.gz SEVVWCBRIZVHNO-UHFFFAOYSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000378799998 346836894 /nfs/dbraw/zinc/83/68/94/346836894.db2.gz TYDCJGIIVZMYTH-IKWCTNDRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000378799999 346837019 /nfs/dbraw/zinc/83/70/19/346837019.db2.gz TYDCJGIIVZMYTH-WTIISPKJSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000378800000 346836831 /nfs/dbraw/zinc/83/68/31/346836831.db2.gz TYDCJGIIVZMYTH-XVSSEFHLSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000378800001 346837428 /nfs/dbraw/zinc/83/74/28/346837428.db2.gz TYDCJGIIVZMYTH-YWPUVAFDSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000378800557 345575706 /nfs/dbraw/zinc/57/57/06/345575706.db2.gz UGUYLBMUMWBRCJ-AAEUAGOBSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000378800558 345575455 /nfs/dbraw/zinc/57/54/55/345575455.db2.gz UGUYLBMUMWBRCJ-DGCLKSJQSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000378800561 345575623 /nfs/dbraw/zinc/57/56/23/345575623.db2.gz UGUYLBMUMWBRCJ-WCQYABFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000378800563 345575599 /nfs/dbraw/zinc/57/55/99/345575599.db2.gz UGUYLBMUMWBRCJ-YPMHNXCESA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC(C)(F)F ZINC000378800918 346837921 /nfs/dbraw/zinc/83/79/21/346837921.db2.gz UNDGRZMDHIOADR-GHMZBOCLSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC(C)(F)F ZINC000378800919 346838127 /nfs/dbraw/zinc/83/81/27/346838127.db2.gz UNDGRZMDHIOADR-MNOVXSKESA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC(C)(F)F ZINC000378800920 346837952 /nfs/dbraw/zinc/83/79/52/346837952.db2.gz UNDGRZMDHIOADR-QWRGUYRKSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC(C)(F)F ZINC000378800926 346837718 /nfs/dbraw/zinc/83/77/18/346837718.db2.gz UNDGRZMDHIOADR-WDEREUQCSA-N 1 0 221.335 3.692 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)s1 ZINC000378802352 345575986 /nfs/dbraw/zinc/57/59/86/345575986.db2.gz UXLCHTAIDSLAGJ-UHFFFAOYSA-N 1 0 237.412 3.971 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[C@@H](C)F ZINC000378803138 346838337 /nfs/dbraw/zinc/83/83/37/346838337.db2.gz WDFDDSBRIWWORM-LOWDOPEQSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[C@H](C)F ZINC000378803139 346838863 /nfs/dbraw/zinc/83/88/63/346838863.db2.gz WDFDDSBRIWWORM-RVMXOQNASA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@@H](C)F ZINC000378803140 346838897 /nfs/dbraw/zinc/83/88/97/346838897.db2.gz WDFDDSBRIWWORM-UMSGYPCISA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@H](C)F ZINC000378803141 346838476 /nfs/dbraw/zinc/83/84/76/346838476.db2.gz WDFDDSBRIWWORM-WUHRBBMRSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](C[NH2+][C@H]1CSC[C@H]1C)C1CCCCC1 ZINC000378804315 346838900 /nfs/dbraw/zinc/83/89/00/346838900.db2.gz WXGMERUMGBOPCS-BZPMIXESSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](C[NH2+][C@H]1CSC[C@@H]1C)C1CCCCC1 ZINC000378804317 346838404 /nfs/dbraw/zinc/83/84/04/346838404.db2.gz WXGMERUMGBOPCS-DYEKYZERSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)C1CCCCC1 ZINC000378804319 346838921 /nfs/dbraw/zinc/83/89/21/346838921.db2.gz WXGMERUMGBOPCS-MBNYWOFBSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CSC[C@H]1C)C1CCCCC1 ZINC000378804321 346838682 /nfs/dbraw/zinc/83/86/82/346838682.db2.gz WXGMERUMGBOPCS-YRGRVCCFSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000378806238 345575883 /nfs/dbraw/zinc/57/58/83/345575883.db2.gz YFCDJKFEYZRGKN-CYBMUJFWSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000378806239 345576092 /nfs/dbraw/zinc/57/60/92/345576092.db2.gz YFCDJKFEYZRGKN-ZDUSSCGKSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000378806591 488106172 /nfs/dbraw/zinc/10/61/72/488106172.db2.gz XIMIUPSUBGIGKH-KXNHARMFSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000378806607 488106092 /nfs/dbraw/zinc/10/60/92/488106092.db2.gz XIMIUPSUBGIGKH-WRWGMCAJSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000378808428 371020273 /nfs/dbraw/zinc/02/02/73/371020273.db2.gz XELSTLRVIKCLSE-BIMULSAOSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000378808430 371020301 /nfs/dbraw/zinc/02/03/01/371020301.db2.gz XELSTLRVIKCLSE-WQAKAFBOSA-N 1 0 241.737 3.881 20 0 BHADRO CC(C)C1([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000378808460 346839684 /nfs/dbraw/zinc/83/96/84/346839684.db2.gz ZZAHVHZPMJDBDJ-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000378808462 346839575 /nfs/dbraw/zinc/83/95/75/346839575.db2.gz ZZAHVHZPMJDBDJ-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000378809685 345853236 /nfs/dbraw/zinc/85/32/36/345853236.db2.gz ZHBRLRKBFHQPQM-CHWSQXEVSA-N 1 0 213.340 3.580 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000378810169 712362639 /nfs/dbraw/zinc/36/26/39/712362639.db2.gz YAUCFDKWLYVQQW-DRZSPHRISA-N 1 0 241.444 3.542 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)s1 ZINC000378811869 371021784 /nfs/dbraw/zinc/02/17/84/371021784.db2.gz ZMIQGTHABNNVHH-JLLWLGSASA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)s1 ZINC000378811870 371021457 /nfs/dbraw/zinc/02/14/57/371021457.db2.gz ZMIQGTHABNNVHH-WCQGTBRESA-N 1 0 241.375 3.852 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)s1)OC ZINC000378812531 346840967 /nfs/dbraw/zinc/84/09/67/346840967.db2.gz ACWJATHSXOKFGB-NEPJUHHUSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)s1)OC ZINC000378812543 346841227 /nfs/dbraw/zinc/84/12/27/346841227.db2.gz ACWJATHSXOKFGB-NWDGAFQWSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)s1)OC ZINC000378812544 346841182 /nfs/dbraw/zinc/84/11/82/346841182.db2.gz ACWJATHSXOKFGB-RYUDHWBXSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C)s1)OC ZINC000378812545 346840975 /nfs/dbraw/zinc/84/09/75/346840975.db2.gz ACWJATHSXOKFGB-VXGBXAGGSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000378814457 388510340 /nfs/dbraw/zinc/51/03/40/388510340.db2.gz BAAUMZKHCYCARN-GARJFASQSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000378814459 388510389 /nfs/dbraw/zinc/51/03/89/388510389.db2.gz BAAUMZKHCYCARN-HBNTYKKESA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccs1 ZINC000378814461 346839627 /nfs/dbraw/zinc/83/96/27/346839627.db2.gz BAAUMZKHCYCARN-MXWKQRLJSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccs1 ZINC000378814463 346839697 /nfs/dbraw/zinc/83/96/97/346839697.db2.gz BAAUMZKHCYCARN-VWYCJHECSA-N 1 0 227.348 3.679 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000378816190 346839967 /nfs/dbraw/zinc/83/99/67/346839967.db2.gz BXAADIHFKVDZJY-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378817757 388511001 /nfs/dbraw/zinc/51/10/01/388511001.db2.gz LBVFJHGAFWGJHJ-FRRDWIJNSA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378817758 388510382 /nfs/dbraw/zinc/51/03/82/388510382.db2.gz LBVFJHGAFWGJHJ-RWMBFGLXSA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378817759 346840295 /nfs/dbraw/zinc/84/02/95/346840295.db2.gz LBVFJHGAFWGJHJ-UPJWGTAASA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378817760 346840344 /nfs/dbraw/zinc/84/03/44/346840344.db2.gz LBVFJHGAFWGJHJ-XQQFMLRXSA-N 1 0 213.340 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c(C)s1 ZINC000378818668 346840473 /nfs/dbraw/zinc/84/04/73/346840473.db2.gz LQQVFZUYFKVYAD-JIMOISOXSA-N 1 0 241.375 3.906 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000378820039 346841891 /nfs/dbraw/zinc/84/18/91/346841891.db2.gz DSXYXJYIBGYJAM-SNPRPXQTSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000378820681 346842195 /nfs/dbraw/zinc/84/21/95/346842195.db2.gz MQBUIIDISZXCCK-PQAZSJQKSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378822496 346842940 /nfs/dbraw/zinc/84/29/40/346842940.db2.gz NMIBHKIKLJYCAD-MEBFFEOJSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378822497 346843045 /nfs/dbraw/zinc/84/30/45/346843045.db2.gz NMIBHKIKLJYCAD-PEBLQZBPSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378822498 346842597 /nfs/dbraw/zinc/84/25/97/346842597.db2.gz NMIBHKIKLJYCAD-RKQHYHRCSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378822499 346842781 /nfs/dbraw/zinc/84/27/81/346842781.db2.gz NMIBHKIKLJYCAD-ZUWCUPBKSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000378822841 385528396 /nfs/dbraw/zinc/52/83/96/385528396.db2.gz GBMDRDYAOBDFNW-BFHYXJOUSA-N 1 0 221.319 3.618 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CCCC12CCCC2)OC ZINC000378823745 388514229 /nfs/dbraw/zinc/51/42/29/388514229.db2.gz GLZHUVHMPQJXFR-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCCC12CCCC2)OC ZINC000378823746 388514898 /nfs/dbraw/zinc/51/48/98/388514898.db2.gz GLZHUVHMPQJXFR-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)OC ZINC000378823747 388514642 /nfs/dbraw/zinc/51/46/42/388514642.db2.gz GLZHUVHMPQJXFR-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCCC12CCCC2)OC ZINC000378823748 388514447 /nfs/dbraw/zinc/51/44/47/388514447.db2.gz GLZHUVHMPQJXFR-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)s1 ZINC000378824263 346842929 /nfs/dbraw/zinc/84/29/29/346842929.db2.gz OJBYJYYRBMCELT-OUAUKWLOSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000378824649 346842686 /nfs/dbraw/zinc/84/26/86/346842686.db2.gz GXJZJFCKZDWXAF-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378825432 346842600 /nfs/dbraw/zinc/84/26/00/346842600.db2.gz OXUUCKQQALGZRM-UPJWGTAASA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378825433 346843049 /nfs/dbraw/zinc/84/30/49/346843049.db2.gz OXUUCKQQALGZRM-XQQFMLRXSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378825862 346843025 /nfs/dbraw/zinc/84/30/25/346843025.db2.gz PDKGERAPAQJZAM-FPMFFAJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378825863 346843004 /nfs/dbraw/zinc/84/30/04/346843004.db2.gz PDKGERAPAQJZAM-KWCYVHTRSA-N 1 0 221.319 3.536 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378827059 346841025 /nfs/dbraw/zinc/84/10/25/346841025.db2.gz PTFHZOYLXUOZGI-IGQOVBAYSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378827060 346841218 /nfs/dbraw/zinc/84/12/18/346841218.db2.gz PTFHZOYLXUOZGI-XDQVBPFNSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378827062 346841377 /nfs/dbraw/zinc/84/13/77/346841377.db2.gz PTFHZOYLXUOZGI-XJFOESAGSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378827064 346841266 /nfs/dbraw/zinc/84/12/66/346841266.db2.gz PTFHZOYLXUOZGI-ZOBORPQBSA-N 1 0 227.367 3.681 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378828631 346842305 /nfs/dbraw/zinc/84/23/05/346842305.db2.gz IUUDFBPOHJDVHZ-FVCCEPFGSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378828633 346842031 /nfs/dbraw/zinc/84/20/31/346842031.db2.gz IUUDFBPOHJDVHZ-LOWDOPEQSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378828634 346842301 /nfs/dbraw/zinc/84/23/01/346842301.db2.gz IUUDFBPOHJDVHZ-LPWJVIDDSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378828635 346842079 /nfs/dbraw/zinc/84/20/79/346842079.db2.gz IUUDFBPOHJDVHZ-MROQNXINSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378828636 346842068 /nfs/dbraw/zinc/84/20/68/346842068.db2.gz IUUDFBPOHJDVHZ-QNWHQSFQSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378828637 346842047 /nfs/dbraw/zinc/84/20/47/346842047.db2.gz IUUDFBPOHJDVHZ-RVMXOQNASA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000378828639 346842041 /nfs/dbraw/zinc/84/20/41/346842041.db2.gz IUUDFBPOHJDVHZ-XQHKEYJVSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000378828641 346841831 /nfs/dbraw/zinc/84/18/31/346841831.db2.gz IUUDFBPOHJDVHZ-ZDEQEGDKSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1Cl ZINC000378829094 346841996 /nfs/dbraw/zinc/84/19/96/346841996.db2.gz QVUQQGPRQJPOGW-JIMOISOXSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1Cl ZINC000378829096 346842284 /nfs/dbraw/zinc/84/22/84/346842284.db2.gz QVUQQGPRQJPOGW-TVYUQYBPSA-N 1 0 241.737 3.881 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000378832084 346843387 /nfs/dbraw/zinc/84/33/87/346843387.db2.gz KNOLIGSVDCPKHV-FRRDWIJNSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000378832085 346843618 /nfs/dbraw/zinc/84/36/18/346843618.db2.gz KNOLIGSVDCPKHV-RWMBFGLXSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCC[C@H]1F ZINC000378834873 346843307 /nfs/dbraw/zinc/84/33/07/346843307.db2.gz UTOQQSILQJIIOB-BNOWGMLFSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCC[C@H]1F ZINC000378834874 346843757 /nfs/dbraw/zinc/84/37/57/346843757.db2.gz UTOQQSILQJIIOB-YUTCNCBUSA-N 1 0 227.367 3.826 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1Cl ZINC000378836237 346843691 /nfs/dbraw/zinc/84/36/91/346843691.db2.gz MLORLOBYFLTRRH-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1Cl ZINC000378836239 346843871 /nfs/dbraw/zinc/84/38/71/346843871.db2.gz MLORLOBYFLTRRH-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000378839494 346844390 /nfs/dbraw/zinc/84/43/90/346844390.db2.gz XELSTLRVIKCLSE-JIMOISOXSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000378839495 346844190 /nfs/dbraw/zinc/84/41/90/346844190.db2.gz XELSTLRVIKCLSE-TVYUQYBPSA-N 1 0 241.737 3.881 20 0 BHADRO CCC[C@@H](C[NH2+]C1CCCCCCC1)OC ZINC000378845309 712362510 /nfs/dbraw/zinc/36/25/10/712362510.db2.gz RKYGVSGYAMAURH-AWEZNQCLSA-N 1 0 227.392 3.504 20 0 BHADRO CCC[C@H](C[NH2+]C1CCCCCCC1)OC ZINC000378845310 712362675 /nfs/dbraw/zinc/36/26/75/712362675.db2.gz RKYGVSGYAMAURH-CQSZACIVSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000378846260 357392679 /nfs/dbraw/zinc/39/26/79/357392679.db2.gz SLLBJSJRYAMCFL-DGAVXFQQSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000378846261 346845095 /nfs/dbraw/zinc/84/50/95/346845095.db2.gz SLLBJSJRYAMCFL-FQUUOJAGSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000378846262 346845329 /nfs/dbraw/zinc/84/53/29/346845329.db2.gz SLLBJSJRYAMCFL-RQJABVFESA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000378846263 346845301 /nfs/dbraw/zinc/84/53/01/346845301.db2.gz SLLBJSJRYAMCFL-SYQHCUMBSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000378846548 345667360 /nfs/dbraw/zinc/66/73/60/345667360.db2.gz AEFJNBZMGILOHQ-LLVKDONJSA-N 1 0 233.380 3.832 20 0 BHADRO CC[C@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000378846549 345667247 /nfs/dbraw/zinc/66/72/47/345667247.db2.gz AEFJNBZMGILOHQ-NSHDSACASA-N 1 0 233.380 3.832 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1cscn1 ZINC000378846562 346845467 /nfs/dbraw/zinc/84/54/67/346845467.db2.gz AEWREDPNZAVECH-GHMZBOCLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cscn1 ZINC000378846563 346845134 /nfs/dbraw/zinc/84/51/34/346845134.db2.gz AEWREDPNZAVECH-MNOVXSKESA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cscn1 ZINC000378846564 346845496 /nfs/dbraw/zinc/84/54/96/346845496.db2.gz AEWREDPNZAVECH-QWRGUYRKSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1cscn1 ZINC000378846565 346845289 /nfs/dbraw/zinc/84/52/89/346845289.db2.gz AEWREDPNZAVECH-WDEREUQCSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC000378846766 346845324 /nfs/dbraw/zinc/84/53/24/346845324.db2.gz AHBGHMKWMPBWRK-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC000378846767 346845087 /nfs/dbraw/zinc/84/50/87/346845087.db2.gz AHBGHMKWMPBWRK-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC000378846768 346845403 /nfs/dbraw/zinc/84/54/03/346845403.db2.gz AHBGHMKWMPBWRK-XQQFMLRXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC000378846769 346845170 /nfs/dbraw/zinc/84/51/70/346845170.db2.gz AHBGHMKWMPBWRK-YNEHKIRRSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C1CC1 ZINC000378847443 346845455 /nfs/dbraw/zinc/84/54/55/346845455.db2.gz AUOMCGRHZZTLSE-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC1(C)C)C1CC1 ZINC000378847446 346845146 /nfs/dbraw/zinc/84/51/46/346845146.db2.gz AUOMCGRHZZTLSE-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CC1 ZINC000378847448 346845400 /nfs/dbraw/zinc/84/54/00/346845400.db2.gz AUOMCGRHZZTLSE-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CC1 ZINC000378847451 346845435 /nfs/dbraw/zinc/84/54/35/346845435.db2.gz AUOMCGRHZZTLSE-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(CC[NH2+]C1CC(C)(C)C1)C1CC1 ZINC000378847748 346845298 /nfs/dbraw/zinc/84/52/98/346845298.db2.gz BCEQXJXSJPSYOX-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C2CCCCCCC2)CC1 ZINC000378848279 712366466 /nfs/dbraw/zinc/36/64/66/712366466.db2.gz BOAIEICDHROLME-UHFFFAOYSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](CC)CC1)C1CC1 ZINC000378849132 346846728 /nfs/dbraw/zinc/84/67/28/346846728.db2.gz COQHFIRFMPZCCL-MRVWCRGKSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](CC)CC1)C1CC1 ZINC000378849133 346846735 /nfs/dbraw/zinc/84/67/35/346846735.db2.gz COQHFIRFMPZCCL-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO Clc1ccsc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000378849241 346846589 /nfs/dbraw/zinc/84/65/89/346846589.db2.gz UXLBLMCKOLRBND-UWVGGRQHSA-N 1 0 241.787 3.537 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378849390 346846444 /nfs/dbraw/zinc/84/64/44/346846444.db2.gz CUYOWVIYBXTUKH-LLVKDONJSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378849393 346846893 /nfs/dbraw/zinc/84/68/93/346846893.db2.gz CUYOWVIYBXTUKH-NSHDSACASA-N 1 0 223.385 3.896 20 0 BHADRO CC(C)C1([NH2+]CCC2CCCCC2)CC1 ZINC000378850165 346846776 /nfs/dbraw/zinc/84/67/76/346846776.db2.gz DOEYOOPUNVEJBN-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)C1CCC1 ZINC000378850356 345669333 /nfs/dbraw/zinc/66/93/33/345669333.db2.gz DSUZBEKEYUZUJH-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)C1CCC1 ZINC000378850357 345669082 /nfs/dbraw/zinc/66/90/82/345669082.db2.gz DSUZBEKEYUZUJH-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)C[C@@H](C)CC)OC ZINC000378850411 346846860 /nfs/dbraw/zinc/84/68/60/346846860.db2.gz VMJZPAIATQBVKF-BFHYXJOUSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)C[C@H](C)CC)OC ZINC000378850413 346846732 /nfs/dbraw/zinc/84/67/32/346846732.db2.gz VMJZPAIATQBVKF-HZSPNIEDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)C[C@@H](C)CC)OC ZINC000378850414 346846523 /nfs/dbraw/zinc/84/65/23/346846523.db2.gz VMJZPAIATQBVKF-MELADBBJSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)C[C@H](C)CC)OC ZINC000378850415 346846559 /nfs/dbraw/zinc/84/65/59/346846559.db2.gz VMJZPAIATQBVKF-MGPQQGTHSA-N 1 0 229.408 3.606 20 0 BHADRO Clc1csc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000378850452 346846913 /nfs/dbraw/zinc/84/69/13/346846913.db2.gz VMQULRZXXDNBTP-CABZTGNLSA-N 1 0 241.787 3.537 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)c1cccs1)OC ZINC000378850854 346846650 /nfs/dbraw/zinc/84/66/50/346846650.db2.gz VSCCNWOYKJLQEQ-NEPJUHHUSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CC)c1cccs1)OC ZINC000378850856 346846533 /nfs/dbraw/zinc/84/65/33/346846533.db2.gz VSCCNWOYKJLQEQ-NWDGAFQWSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CC)c1cccs1)OC ZINC000378850858 346846631 /nfs/dbraw/zinc/84/66/31/346846631.db2.gz VSCCNWOYKJLQEQ-RYUDHWBXSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)c1cccs1)OC ZINC000378850859 346846902 /nfs/dbraw/zinc/84/69/02/346846902.db2.gz VSCCNWOYKJLQEQ-VXGBXAGGSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000378850872 346846856 /nfs/dbraw/zinc/84/68/56/346846856.db2.gz FGVVMKQZTAIRQH-JTQLQIEISA-N 1 0 227.298 3.686 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000378850874 346846772 /nfs/dbraw/zinc/84/67/72/346846772.db2.gz FGVVMKQZTAIRQH-SNVBAGLBSA-N 1 0 227.298 3.686 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000378850975 345669244 /nfs/dbraw/zinc/66/92/44/345669244.db2.gz FJVVFKQSMMQVIU-CHWSQXEVSA-N 1 0 223.404 3.837 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000378850977 345668989 /nfs/dbraw/zinc/66/89/89/345668989.db2.gz FJVVFKQSMMQVIU-OLZOCXBDSA-N 1 0 223.404 3.837 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000378850978 345669197 /nfs/dbraw/zinc/66/91/97/345669197.db2.gz FJVVFKQSMMQVIU-QWHCGFSZSA-N 1 0 223.404 3.837 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000378850979 345669290 /nfs/dbraw/zinc/66/92/90/345669290.db2.gz FJVVFKQSMMQVIU-STQMWFEESA-N 1 0 223.404 3.837 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000378851046 345669167 /nfs/dbraw/zinc/66/91/67/345669167.db2.gz FMWZVEXSURRQGR-CLRIEMFWSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000378851048 345669195 /nfs/dbraw/zinc/66/91/95/345669195.db2.gz FMWZVEXSURRQGR-HOAMVYINSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000378851050 345669128 /nfs/dbraw/zinc/66/91/28/345669128.db2.gz FMWZVEXSURRQGR-NWINJMCUSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000378851051 345669084 /nfs/dbraw/zinc/66/90/84/345669084.db2.gz FMWZVEXSURRQGR-PQAZSJQKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CCC1 ZINC000378851723 346846783 /nfs/dbraw/zinc/84/67/83/346846783.db2.gz GCOCENKMMYSHRB-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C1CCC1 ZINC000378851724 346846528 /nfs/dbraw/zinc/84/65/28/346846528.db2.gz GCOCENKMMYSHRB-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)C1CCC1 ZINC000378851726 346846911 /nfs/dbraw/zinc/84/69/11/346846911.db2.gz GCOCENKMMYSHRB-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CCC1 ZINC000378851727 346846390 /nfs/dbraw/zinc/84/63/90/346846390.db2.gz GCOCENKMMYSHRB-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[NH2+]C(C)(C)c1ccccc1C ZINC000378851993 346846819 /nfs/dbraw/zinc/84/68/19/346846819.db2.gz GNCSFZZBULZNLO-UHFFFAOYSA-N 1 0 205.345 3.620 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H](C)F ZINC000378853925 346844895 /nfs/dbraw/zinc/84/48/95/346844895.db2.gz IHUHXKLGBCDFAI-QJPTWQEYSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H](C)F ZINC000378853927 346844274 /nfs/dbraw/zinc/84/42/74/346844274.db2.gz IHUHXKLGBCDFAI-SDDRHHMPSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H](C)F ZINC000378853928 346844284 /nfs/dbraw/zinc/84/42/84/346844284.db2.gz IHUHXKLGBCDFAI-SRVKXCTJSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H](C)F ZINC000378853930 346844536 /nfs/dbraw/zinc/84/45/36/346844536.db2.gz IHUHXKLGBCDFAI-TUAOUCFPSA-N 1 0 203.345 3.539 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000378854327 346844295 /nfs/dbraw/zinc/84/42/95/346844295.db2.gz IUFRXFICEDUXAQ-NOZJJQNGSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000378854329 346844847 /nfs/dbraw/zinc/84/48/47/346844847.db2.gz IUFRXFICEDUXAQ-RNCFNFMXSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000378854334 346844482 /nfs/dbraw/zinc/84/44/82/346844482.db2.gz IUFRXFICEDUXAQ-TVQRCGJNSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000378854336 346844700 /nfs/dbraw/zinc/84/47/00/346844700.db2.gz IUFRXFICEDUXAQ-ZANVPECISA-N 1 0 241.737 3.665 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C2(C(C)C)CC2)c1 ZINC000378855065 346844261 /nfs/dbraw/zinc/84/42/61/346844261.db2.gz JLWJVMMKBAQRQP-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000378855282 346844300 /nfs/dbraw/zinc/84/43/00/346844300.db2.gz JPZZLXUUTNMNHQ-DOMZBBRYSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000378855283 346844564 /nfs/dbraw/zinc/84/45/64/346844564.db2.gz JPZZLXUUTNMNHQ-IUODEOHRSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000378855284 346844425 /nfs/dbraw/zinc/84/44/25/346844425.db2.gz JPZZLXUUTNMNHQ-SWLSCSKDSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000378855285 346844853 /nfs/dbraw/zinc/84/48/53/346844853.db2.gz JPZZLXUUTNMNHQ-WFASDCNBSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)C1CCCCC1 ZINC000378856141 346849617 /nfs/dbraw/zinc/84/96/17/346849617.db2.gz YFEJUOHOIORZRV-MCIONIFRSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)C1CCCCC1 ZINC000378856142 346849505 /nfs/dbraw/zinc/84/95/05/346849505.db2.gz YFEJUOHOIORZRV-RDBSUJKOSA-N 1 0 227.367 3.826 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCCF ZINC000378857383 712363397 /nfs/dbraw/zinc/36/33/97/712363397.db2.gz LOAGBZRFWOQAGZ-LLVKDONJSA-N 1 0 227.298 3.534 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCF ZINC000378857387 712363592 /nfs/dbraw/zinc/36/35/92/712363592.db2.gz LOAGBZRFWOQAGZ-NSHDSACASA-N 1 0 227.298 3.534 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000378857578 346849705 /nfs/dbraw/zinc/84/97/05/346849705.db2.gz LQXAAJTZUNEYRK-UHFFFAOYSA-N 1 0 223.385 3.662 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000378857686 712363124 /nfs/dbraw/zinc/36/31/24/712363124.db2.gz LUEQDNLOXKZZAU-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC1CC1 ZINC000378857687 712363442 /nfs/dbraw/zinc/36/34/42/712363442.db2.gz LUEQDNLOXKZZAU-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(F)F ZINC000378858236 346847116 /nfs/dbraw/zinc/84/71/16/346847116.db2.gz MHYOZQLBNNQNAG-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(F)F ZINC000378858237 346847223 /nfs/dbraw/zinc/84/72/23/346847223.db2.gz MHYOZQLBNNQNAG-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(F)F ZINC000378858238 346847636 /nfs/dbraw/zinc/84/76/36/346847636.db2.gz MHYOZQLBNNQNAG-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(F)F ZINC000378858239 346847155 /nfs/dbraw/zinc/84/71/55/346847155.db2.gz MHYOZQLBNNQNAG-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)c1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC000378858279 345691044 /nfs/dbraw/zinc/69/10/44/345691044.db2.gz MKFIXPRFYRTSBL-GFCCVEGCSA-N 1 0 223.335 3.648 20 0 BHADRO CC(C)c1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC000378858280 345690988 /nfs/dbraw/zinc/69/09/88/345690988.db2.gz MKFIXPRFYRTSBL-LBPRGKRZSA-N 1 0 223.335 3.648 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000378858775 712363331 /nfs/dbraw/zinc/36/33/31/712363331.db2.gz MYDBSFWEAUJSRC-GHMZBOCLSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000378858778 712363580 /nfs/dbraw/zinc/36/35/80/712363580.db2.gz MYDBSFWEAUJSRC-MNOVXSKESA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@H](C)F ZINC000378858779 712363649 /nfs/dbraw/zinc/36/36/49/712363649.db2.gz MYDBSFWEAUJSRC-QWRGUYRKSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000378858780 712363374 /nfs/dbraw/zinc/36/33/74/712363374.db2.gz MYDBSFWEAUJSRC-WDEREUQCSA-N 1 0 227.298 3.533 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C(C)(C)C ZINC000378858876 346847559 /nfs/dbraw/zinc/84/75/59/346847559.db2.gz NARNTYBURSINTQ-UNXYVOJBSA-N 1 0 211.393 3.835 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C(C)(C)C ZINC000378858877 346847568 /nfs/dbraw/zinc/84/75/68/346847568.db2.gz NARNTYBURSINTQ-VOMCLLRMSA-N 1 0 211.393 3.835 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000378859067 346847682 /nfs/dbraw/zinc/84/76/82/346847682.db2.gz NGXAFWAYWGLTOM-NXEZZACHSA-N 1 0 241.375 3.636 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000378859069 346847062 /nfs/dbraw/zinc/84/70/62/346847062.db2.gz NGXAFWAYWGLTOM-UWVGGRQHSA-N 1 0 241.375 3.636 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc2c(s1)CCC2 ZINC000378859070 346847673 /nfs/dbraw/zinc/84/76/73/346847673.db2.gz NGXAFWAYWGLTOM-VHSXEESVSA-N 1 0 241.375 3.636 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000378859072 346847657 /nfs/dbraw/zinc/84/76/57/346847657.db2.gz NGXAFWAYWGLTOM-ZJUUUORDSA-N 1 0 241.375 3.636 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000378859332 346847079 /nfs/dbraw/zinc/84/70/79/346847079.db2.gz NLWHUNDKNICODN-NEPJUHHUSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000378859333 346847357 /nfs/dbraw/zinc/84/73/57/346847357.db2.gz NLWHUNDKNICODN-NWDGAFQWSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000378859334 346847208 /nfs/dbraw/zinc/84/72/08/346847208.db2.gz NLWHUNDKNICODN-RYUDHWBXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000378859335 346847250 /nfs/dbraw/zinc/84/72/50/346847250.db2.gz NLWHUNDKNICODN-VXGBXAGGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)CCC1CCCC1 ZINC000378860080 346848314 /nfs/dbraw/zinc/84/83/14/346848314.db2.gz OENRUHJBEXCPRK-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC[C@H](C)F ZINC000378860081 346847830 /nfs/dbraw/zinc/84/78/30/346847830.db2.gz OENRUHJBEXCPRK-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)CCC1CCCC1 ZINC000378860082 346848142 /nfs/dbraw/zinc/84/81/42/346848142.db2.gz OENRUHJBEXCPRK-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)CCC1CCCC1 ZINC000378860083 346848068 /nfs/dbraw/zinc/84/80/68/346848068.db2.gz OENRUHJBEXCPRK-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000378860602 346848131 /nfs/dbraw/zinc/84/81/31/346848131.db2.gz PFBCYQBMPSCMPG-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000378860603 346848100 /nfs/dbraw/zinc/84/81/00/346848100.db2.gz PFBCYQBMPSCMPG-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000378860604 346848336 /nfs/dbraw/zinc/84/83/36/346848336.db2.gz PFBCYQBMPSCMPG-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000378860605 346847915 /nfs/dbraw/zinc/84/79/15/346847915.db2.gz PFBCYQBMPSCMPG-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000378860728 346847936 /nfs/dbraw/zinc/84/79/36/346847936.db2.gz PMCSYHUHBXQFEH-JXQTWKCFSA-N 1 0 223.404 3.835 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000378860729 346848161 /nfs/dbraw/zinc/84/81/61/346848161.db2.gz PMCSYHUHBXQFEH-RUXDESIVSA-N 1 0 223.404 3.835 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000378861084 388525446 /nfs/dbraw/zinc/52/54/46/388525446.db2.gz QGGGKNKWJYMXJX-AGIUHOORSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000378861085 388526167 /nfs/dbraw/zinc/52/61/67/388526167.db2.gz QGGGKNKWJYMXJX-FRRDWIJNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000378861086 388525948 /nfs/dbraw/zinc/52/59/48/388525948.db2.gz QGGGKNKWJYMXJX-JHJVBQTASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000378861087 388525790 /nfs/dbraw/zinc/52/57/90/388525790.db2.gz QGGGKNKWJYMXJX-UPJWGTAASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+]CC2CCCC2)C1 ZINC000378861287 346848369 /nfs/dbraw/zinc/84/83/69/346848369.db2.gz QSOORPIOVWATDM-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000378861311 346848294 /nfs/dbraw/zinc/84/82/94/346848294.db2.gz QTSDHNPLAVKMPX-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000378861312 346848332 /nfs/dbraw/zinc/84/83/32/346848332.db2.gz QTSDHNPLAVKMPX-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000378861406 385543362 /nfs/dbraw/zinc/54/33/62/385543362.db2.gz RAECPABEVNUHLO-AGIUHOORSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000378861407 388525686 /nfs/dbraw/zinc/52/56/86/388525686.db2.gz RAECPABEVNUHLO-FRRDWIJNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000378861408 388525964 /nfs/dbraw/zinc/52/59/64/388525964.db2.gz RAECPABEVNUHLO-JHJVBQTASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000378861409 388525485 /nfs/dbraw/zinc/52/54/85/388525485.db2.gz RAECPABEVNUHLO-UPJWGTAASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378861492 712364134 /nfs/dbraw/zinc/36/41/34/712364134.db2.gz RDBAFRLTRVPSBY-GFCCVEGCSA-N 1 0 221.319 3.751 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378861493 712364052 /nfs/dbraw/zinc/36/40/52/712364052.db2.gz RDBAFRLTRVPSBY-LBPRGKRZSA-N 1 0 221.319 3.751 20 0 BHADRO CC(C)(C)C1CC([NH2+]C2CC(C)(C)C2)C1 ZINC000378862053 346847910 /nfs/dbraw/zinc/84/79/10/346847910.db2.gz SECMWSXRIXTXJO-UHFFFAOYSA-N 1 0 209.377 3.589 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378862119 712364058 /nfs/dbraw/zinc/36/40/58/712364058.db2.gz SHCHEPYCXKOWRJ-NEPJUHHUSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378862120 712364025 /nfs/dbraw/zinc/36/40/25/712364025.db2.gz SHCHEPYCXKOWRJ-NWDGAFQWSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378862121 712364345 /nfs/dbraw/zinc/36/43/45/712364345.db2.gz SHCHEPYCXKOWRJ-RYUDHWBXSA-N 1 0 223.335 3.973 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378862122 712364258 /nfs/dbraw/zinc/36/42/58/712364258.db2.gz SHCHEPYCXKOWRJ-VXGBXAGGSA-N 1 0 223.335 3.973 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378862513 712364221 /nfs/dbraw/zinc/36/42/21/712364221.db2.gz TVJYMYRICHDGIO-LLVKDONJSA-N 1 0 223.335 3.973 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378862514 712364020 /nfs/dbraw/zinc/36/40/20/712364020.db2.gz TVJYMYRICHDGIO-NSHDSACASA-N 1 0 223.335 3.973 20 0 BHADRO CCCC1CCC([NH2+]CC[C@H](C)F)CC1 ZINC000378862668 346847893 /nfs/dbraw/zinc/84/78/93/346847893.db2.gz UCGGCUOJPBXCSW-HIFPTAJRSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC000378862669 346848341 /nfs/dbraw/zinc/84/83/41/346848341.db2.gz UCGGCUOJPBXCSW-PNESKVBLSA-N 1 0 215.356 3.683 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000378862715 712365085 /nfs/dbraw/zinc/36/50/85/712365085.db2.gz UERNLEVUWPEXNU-DMLGSKKGSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000378862716 712364599 /nfs/dbraw/zinc/36/45/99/712364599.db2.gz UERNLEVUWPEXNU-QDYJBQRPSA-N 1 0 221.319 3.583 20 0 BHADRO CC[C@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000378862877 346848595 /nfs/dbraw/zinc/84/85/95/346848595.db2.gz UMOVQFHHJMVSIF-CHWSQXEVSA-N 1 0 223.335 3.518 20 0 BHADRO CC[C@@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000378862878 346849068 /nfs/dbraw/zinc/84/90/68/346849068.db2.gz UMOVQFHHJMVSIF-OLZOCXBDSA-N 1 0 223.335 3.518 20 0 BHADRO CC[C@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000378862879 346848856 /nfs/dbraw/zinc/84/88/56/346848856.db2.gz UMOVQFHHJMVSIF-QWHCGFSZSA-N 1 0 223.335 3.518 20 0 BHADRO CC[C@@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000378862880 346849062 /nfs/dbraw/zinc/84/90/62/346849062.db2.gz UMOVQFHHJMVSIF-STQMWFEESA-N 1 0 223.335 3.518 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000378862999 346849050 /nfs/dbraw/zinc/84/90/50/346849050.db2.gz URKUJSHYYPZAGT-IJLUTSLNSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000378863000 346848608 /nfs/dbraw/zinc/84/86/08/346848608.db2.gz URKUJSHYYPZAGT-SRVKXCTJSA-N 1 0 237.774 3.974 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cncs1 ZINC000378863072 346848872 /nfs/dbraw/zinc/84/88/72/346848872.db2.gz UVAKCWXEKUDNRJ-KPPDAEKUSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cncs1 ZINC000378863073 346849111 /nfs/dbraw/zinc/84/91/11/346849111.db2.gz UVAKCWXEKUDNRJ-WHXUTIOJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1(C)CC1 ZINC000378863852 345690852 /nfs/dbraw/zinc/69/08/52/345690852.db2.gz WHSYQYPCOCDHSR-UNXYVOJBSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1(C)CC1 ZINC000378863853 345691037 /nfs/dbraw/zinc/69/10/37/345691037.db2.gz WHSYQYPCOCDHSR-VOMCLLRMSA-N 1 0 209.377 3.589 20 0 BHADRO CCC1(C)CCC([NH2+]CC(C)(F)F)CC1 ZINC000378864087 345691055 /nfs/dbraw/zinc/69/10/55/345691055.db2.gz WUZYGHVDNZQFFT-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000378864369 346848644 /nfs/dbraw/zinc/84/86/44/346848644.db2.gz XFPTVFQXUIIUMR-GHMZBOCLSA-N 1 0 243.753 3.609 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000378864370 346848949 /nfs/dbraw/zinc/84/89/49/346848949.db2.gz XFPTVFQXUIIUMR-MNOVXSKESA-N 1 0 243.753 3.609 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000378864371 346848687 /nfs/dbraw/zinc/84/86/87/346848687.db2.gz XFPTVFQXUIIUMR-QWRGUYRKSA-N 1 0 243.753 3.609 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H](C)F ZINC000378864372 346848841 /nfs/dbraw/zinc/84/88/41/346848841.db2.gz XFPTVFQXUIIUMR-WDEREUQCSA-N 1 0 243.753 3.609 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000378864828 712365028 /nfs/dbraw/zinc/36/50/28/712365028.db2.gz YCXOBWIFRDJWHY-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1CCC1 ZINC000378864829 712364802 /nfs/dbraw/zinc/36/48/02/712364802.db2.gz YCXOBWIFRDJWHY-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccco1 ZINC000378864983 388526604 /nfs/dbraw/zinc/52/66/04/388526604.db2.gz YIXMKBUYCNSXSF-UNXYVOJBSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccco1 ZINC000378864984 388526796 /nfs/dbraw/zinc/52/67/96/388526796.db2.gz YIXMKBUYCNSXSF-VOMCLLRMSA-N 1 0 221.344 3.755 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCC23CCC3)C1 ZINC000378865219 346849863 /nfs/dbraw/zinc/84/98/63/346849863.db2.gz YVWZFIPNWGSEKD-BPCQOVAHSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCC23CCC3)C1 ZINC000378865220 346849724 /nfs/dbraw/zinc/84/97/24/346849724.db2.gz YVWZFIPNWGSEKD-WXRRBKDZSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000378865433 346849439 /nfs/dbraw/zinc/84/94/39/346849439.db2.gz ZIYDSJKLDDDSLZ-AGIUHOORSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000378865434 346849729 /nfs/dbraw/zinc/84/97/29/346849729.db2.gz ZIYDSJKLDDDSLZ-FRRDWIJNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000378865435 346849733 /nfs/dbraw/zinc/84/97/33/346849733.db2.gz ZIYDSJKLDDDSLZ-JHJVBQTASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000378865436 346849842 /nfs/dbraw/zinc/84/98/42/346849842.db2.gz ZIYDSJKLDDDSLZ-UPJWGTAASA-N 1 0 209.377 3.589 20 0 BHADRO CC(F)(F)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000378865646 346849786 /nfs/dbraw/zinc/84/97/86/346849786.db2.gz ZVHCYPMYTGXWJC-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cccc(O)c1Cl ZINC000378866219 388527116 /nfs/dbraw/zinc/52/71/16/388527116.db2.gz BFHUTGHBYBEKIJ-UHFFFAOYSA-N 1 0 241.762 3.570 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC(C)C ZINC000378867041 712365468 /nfs/dbraw/zinc/36/54/68/712365468.db2.gz DETBZRIRZFVVNS-GFCCVEGCSA-N 1 0 223.335 3.831 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC(C)C ZINC000378867042 712365515 /nfs/dbraw/zinc/36/55/15/712365515.db2.gz DETBZRIRZFVVNS-LBPRGKRZSA-N 1 0 223.335 3.831 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC000378867962 345688053 /nfs/dbraw/zinc/68/80/53/345688053.db2.gz GMBKSRFMAIBWTL-HZSPNIEDSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC000378867963 345688216 /nfs/dbraw/zinc/68/82/16/345688216.db2.gz GMBKSRFMAIBWTL-IHRRRGAJSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC000378867964 345688169 /nfs/dbraw/zinc/68/81/69/345688169.db2.gz GMBKSRFMAIBWTL-MELADBBJSA-N 1 0 229.383 3.929 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC000378867965 345688114 /nfs/dbraw/zinc/68/81/14/345688114.db2.gz GMBKSRFMAIBWTL-RDBSUJKOSA-N 1 0 229.383 3.929 20 0 BHADRO Cc1sccc1C[NH2+]C(C(C)C)C(C)C ZINC000378868576 388529573 /nfs/dbraw/zinc/52/95/73/388529573.db2.gz HWYXGKPTXYGMGF-UHFFFAOYSA-N 1 0 225.401 3.827 20 0 BHADRO Cc1cccc(C[NH2+]C2(C(C)C)CC2)c1C ZINC000378869473 388530583 /nfs/dbraw/zinc/53/05/83/388530583.db2.gz JZKKQLICAFDAPM-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1cc2ccccc2s1 ZINC000378871275 346851585 /nfs/dbraw/zinc/85/15/85/346851585.db2.gz OGEHNRFNWPTQOD-JTQLQIEISA-N 1 0 237.343 3.739 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1cc2ccccc2s1 ZINC000378871276 346851018 /nfs/dbraw/zinc/85/10/18/346851018.db2.gz OGEHNRFNWPTQOD-SNVBAGLBSA-N 1 0 237.343 3.739 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C)C(C)C ZINC000378871323 346851415 /nfs/dbraw/zinc/85/14/15/346851415.db2.gz OIWZUYQWRSWASD-UHFFFAOYSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000378875308 346852012 /nfs/dbraw/zinc/85/20/12/346852012.db2.gz YTOYWDFOZQAJLF-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000378875584 388530529 /nfs/dbraw/zinc/53/05/29/388530529.db2.gz ZLCWYIPIAOJPJC-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000378876891 346851903 /nfs/dbraw/zinc/85/19/03/346851903.db2.gz BHICTZTXQJUSJB-DWZYQQQCSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000378876892 346852024 /nfs/dbraw/zinc/85/20/24/346852024.db2.gz BHICTZTXQJUSJB-FDEJFUCISA-N 1 0 233.330 3.665 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378878816 346852099 /nfs/dbraw/zinc/85/20/99/346852099.db2.gz DDCCLXNQPRZXJV-OYNZBZHQSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378878817 346852283 /nfs/dbraw/zinc/85/22/83/346852283.db2.gz DDCCLXNQPRZXJV-XABYNWHXSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378878818 346852005 /nfs/dbraw/zinc/85/20/05/346852005.db2.gz DDCCLXNQPRZXJV-YOENINGUSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1F ZINC000378884342 346852902 /nfs/dbraw/zinc/85/29/02/346852902.db2.gz KBLNOLWIQTXIMO-WJNVRWDZSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1F ZINC000378884343 346853084 /nfs/dbraw/zinc/85/30/84/346853084.db2.gz KBLNOLWIQTXIMO-ZSEWYUTFSA-N 1 0 233.330 3.665 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378885136 346853118 /nfs/dbraw/zinc/85/31/18/346853118.db2.gz KTLYPEGCSPXVGO-ORQFMDKSSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378885137 346852857 /nfs/dbraw/zinc/85/28/57/346852857.db2.gz KTLYPEGCSPXVGO-PQEBFOHHSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378885138 346852968 /nfs/dbraw/zinc/85/29/68/346852968.db2.gz KTLYPEGCSPXVGO-RKTXRCNFSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378885139 346852961 /nfs/dbraw/zinc/85/29/61/346852961.db2.gz KTLYPEGCSPXVGO-SVGFKBNWSA-N 1 0 241.378 3.842 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)o1 ZINC000378886734 346852650 /nfs/dbraw/zinc/85/26/50/346852650.db2.gz MCKYVIYDJQJCLK-DWZYQQQCSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)o1 ZINC000378886735 346852853 /nfs/dbraw/zinc/85/28/53/346852853.db2.gz MCKYVIYDJQJCLK-FDEJFUCISA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)o1 ZINC000378886736 346853018 /nfs/dbraw/zinc/85/30/18/346853018.db2.gz MCKYVIYDJQJCLK-WAZAZEMKSA-N 1 0 233.355 3.736 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000378891604 346854965 /nfs/dbraw/zinc/85/49/65/346854965.db2.gz RBEGXPGLEUHFHK-DWZYQQQCSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000378891605 346855054 /nfs/dbraw/zinc/85/50/54/346855054.db2.gz RBEGXPGLEUHFHK-FDEJFUCISA-N 1 0 233.330 3.665 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378894185 346855656 /nfs/dbraw/zinc/85/56/56/346855656.db2.gz SXZNZMKXWCBNJJ-NEBZKDRISA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378894187 346855457 /nfs/dbraw/zinc/85/54/57/346855457.db2.gz SXZNZMKXWCBNJJ-UXOAXIEHSA-N 1 0 245.366 3.534 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC000378898725 346856469 /nfs/dbraw/zinc/85/64/69/346856469.db2.gz BIMLANSNOIYGET-ILXRZTDVSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000378924460 346860485 /nfs/dbraw/zinc/86/04/85/346860485.db2.gz RPFAZQVRFNJYPS-AAXDQBDMSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000378924461 346860100 /nfs/dbraw/zinc/86/01/00/346860100.db2.gz RPFAZQVRFNJYPS-LFSVMHDDSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000378924462 346860382 /nfs/dbraw/zinc/86/03/82/346860382.db2.gz RPFAZQVRFNJYPS-VCDKRKBESA-N 1 0 221.369 3.587 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000378925052 346860851 /nfs/dbraw/zinc/86/08/51/346860851.db2.gz SCZFGKQXJDXLKE-MIMYLULJSA-N 1 0 241.787 3.680 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000378926447 384604111 /nfs/dbraw/zinc/60/41/11/384604111.db2.gz SOHRZPHENUMHSA-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000378926448 388544941 /nfs/dbraw/zinc/54/49/41/388544941.db2.gz SOHRZPHENUMHSA-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378930130 346861969 /nfs/dbraw/zinc/86/19/69/346861969.db2.gz XIMIUPSUBGIGKH-USZNOCQGSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378930131 346862027 /nfs/dbraw/zinc/86/20/27/346862027.db2.gz XIMIUPSUBGIGKH-WHOHXGKFSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378930132 346862216 /nfs/dbraw/zinc/86/22/16/346862216.db2.gz XIMIUPSUBGIGKH-WISYIIOYSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378930133 346862153 /nfs/dbraw/zinc/86/21/53/346862153.db2.gz XIMIUPSUBGIGKH-WYUUTHIRSA-N 1 0 221.369 3.587 20 0 BHADRO Cc1csc(C[NH2+]C2CCCCCC2)c1 ZINC000378952086 388561535 /nfs/dbraw/zinc/56/15/35/388561535.db2.gz QGKQJULIWHWKCX-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378954921 346865317 /nfs/dbraw/zinc/86/53/17/346865317.db2.gz LFBWVTYYAKTTHY-SNPRPXQTSA-N 1 0 247.407 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378958721 346865896 /nfs/dbraw/zinc/86/58/96/346865896.db2.gz ONQLIUQOJKSZMO-VOAKCMCISA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378958964 346865853 /nfs/dbraw/zinc/86/58/53/346865853.db2.gz ONQLIUQOJKSZMO-XQHKEYJVSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000378958965 346865910 /nfs/dbraw/zinc/86/59/10/346865910.db2.gz ONQLIUQOJKSZMO-YVECIDJPSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000378965601 346867671 /nfs/dbraw/zinc/86/76/71/346867671.db2.gz UHQLLHJIBFLSLV-FVCCEPFGSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000378965602 346867740 /nfs/dbraw/zinc/86/77/40/346867740.db2.gz UHQLLHJIBFLSLV-NDBYEHHHSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000378965603 346867471 /nfs/dbraw/zinc/86/74/71/346867471.db2.gz UHQLLHJIBFLSLV-RNJOBUHISA-N 1 0 235.396 3.896 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000378967184 346867559 /nfs/dbraw/zinc/86/75/59/346867559.db2.gz VVHGYYWIGOXPKE-SWHYSGLUSA-N 1 0 235.396 3.589 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H]1CCn2ccnc21 ZINC000378998833 712367626 /nfs/dbraw/zinc/36/76/26/712367626.db2.gz APYODZQKJXOQTN-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H]1CCn2ccnc21 ZINC000378998834 712367830 /nfs/dbraw/zinc/36/78/30/712367830.db2.gz APYODZQKJXOQTN-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)c2nccn21 ZINC000379004386 712368110 /nfs/dbraw/zinc/36/81/10/712368110.db2.gz DCBBPZPFOZVRDD-GXTWGEPZSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)c2nccn21 ZINC000379004387 712367972 /nfs/dbraw/zinc/36/79/72/712367972.db2.gz DCBBPZPFOZVRDD-JSGCOSHPSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)c2nccn21 ZINC000379004388 712367790 /nfs/dbraw/zinc/36/77/90/712367790.db2.gz DCBBPZPFOZVRDD-OCCSQVGLSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)c2nccn21 ZINC000379004389 712367525 /nfs/dbraw/zinc/36/75/25/712367525.db2.gz DCBBPZPFOZVRDD-TZMCWYRMSA-N 1 0 247.386 3.591 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000379008953 346883519 /nfs/dbraw/zinc/88/35/19/346883519.db2.gz JPQWHWOYTGSCKH-HZSPNIEDSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000379008954 346883717 /nfs/dbraw/zinc/88/37/17/346883717.db2.gz JPQWHWOYTGSCKH-IHRRRGAJSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000379008955 346883798 /nfs/dbraw/zinc/88/37/98/346883798.db2.gz JPQWHWOYTGSCKH-MELADBBJSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000379008956 346883582 /nfs/dbraw/zinc/88/35/82/346883582.db2.gz JPQWHWOYTGSCKH-RDBSUJKOSA-N 1 0 249.402 3.695 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCCC2(C)C)nc1 ZINC000379024027 346888182 /nfs/dbraw/zinc/88/81/82/346888182.db2.gz BTHHHSKABJZLPA-HNNXBMFYSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)nc1 ZINC000379024028 346888187 /nfs/dbraw/zinc/88/81/87/346888187.db2.gz BTHHHSKABJZLPA-OAHLLOKOSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2CCCCC2)nc1 ZINC000379030111 346893689 /nfs/dbraw/zinc/89/36/89/346893689.db2.gz CQSQREYVDGKHGZ-ZDUSSCGKSA-N 1 0 246.398 3.702 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000379037554 346894974 /nfs/dbraw/zinc/89/49/74/346894974.db2.gz HDFGWHQAAZRSJJ-GFCCVEGCSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000379037555 346895360 /nfs/dbraw/zinc/89/53/60/346895360.db2.gz HDFGWHQAAZRSJJ-LBPRGKRZSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000379039477 345778268 /nfs/dbraw/zinc/77/82/68/345778268.db2.gz HQDCVNWTNGWLLS-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000379039478 346896887 /nfs/dbraw/zinc/89/68/87/346896887.db2.gz HQDCVNWTNGWLLS-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO C[C@@H](Nc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000379043789 712368779 /nfs/dbraw/zinc/36/87/79/712368779.db2.gz DYLPQBIHXXBDRT-CYBMUJFWSA-N 1 0 244.382 3.887 20 0 BHADRO C[C@H](Nc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000379043790 712368812 /nfs/dbraw/zinc/36/88/12/712368812.db2.gz DYLPQBIHXXBDRT-ZDUSSCGKSA-N 1 0 244.382 3.887 20 0 BHADRO Cc1csc(C[NH2+]CC2CCCCC2)c1 ZINC000379044673 345775768 /nfs/dbraw/zinc/77/57/68/345775768.db2.gz JFWNBQNPUPLILP-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000379045006 384935714 /nfs/dbraw/zinc/93/57/14/384935714.db2.gz JIDJVXYXGBDZGI-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000379045007 384936590 /nfs/dbraw/zinc/93/65/90/384936590.db2.gz JIDJVXYXGBDZGI-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cs1 ZINC000379051856 346936325 /nfs/dbraw/zinc/93/63/25/346936325.db2.gz LTXMESUICGAXOW-AAEUAGOBSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)cs1 ZINC000379051857 346936343 /nfs/dbraw/zinc/93/63/43/346936343.db2.gz LTXMESUICGAXOW-DGCLKSJQSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)cs1 ZINC000379051859 346935921 /nfs/dbraw/zinc/93/59/21/346935921.db2.gz LTXMESUICGAXOW-WCQYABFASA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cs1 ZINC000379051860 346936118 /nfs/dbraw/zinc/93/61/18/346936118.db2.gz LTXMESUICGAXOW-YPMHNXCESA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000379070639 347057360 /nfs/dbraw/zinc/05/73/60/347057360.db2.gz TYKQAWRQRFFGKQ-AAEUAGOBSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000379070641 347060554 /nfs/dbraw/zinc/06/05/54/347060554.db2.gz TYKQAWRQRFFGKQ-DGCLKSJQSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000379070642 347060490 /nfs/dbraw/zinc/06/04/90/347060490.db2.gz TYKQAWRQRFFGKQ-WCQYABFASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000379070643 347061911 /nfs/dbraw/zinc/06/19/11/347061911.db2.gz TYKQAWRQRFFGKQ-YPMHNXCESA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+]CCCC(C)C)c1 ZINC000379088621 350514493 /nfs/dbraw/zinc/51/44/93/350514493.db2.gz CXQNMVDTFNQBNG-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CSC1(C[NH2+][C@H](C)C2CCC2)CCCCC1 ZINC000379097186 712369606 /nfs/dbraw/zinc/36/96/06/712369606.db2.gz LVVRCTWCKAOWDP-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)C2CCC2)CCCCC1 ZINC000379097187 712369459 /nfs/dbraw/zinc/36/94/59/712369459.db2.gz LVVRCTWCKAOWDP-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000379116486 386524248 /nfs/dbraw/zinc/52/42/48/386524248.db2.gz KUYXFYJFHOZEBB-DVOMOZLQSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)nc1 ZINC000379116487 386523623 /nfs/dbraw/zinc/52/36/23/386523623.db2.gz KUYXFYJFHOZEBB-HEHGZKQESA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)nc1 ZINC000379116489 386523322 /nfs/dbraw/zinc/52/33/22/386523322.db2.gz KUYXFYJFHOZEBB-WOSRLPQWSA-N 1 0 246.398 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)nc1 ZINC000379116490 386522077 /nfs/dbraw/zinc/52/20/77/386522077.db2.gz KUYXFYJFHOZEBB-XJKCOSOUSA-N 1 0 246.398 3.558 20 0 BHADRO Cc1csc(C[NH2+]CC2(C)CCCC2)c1 ZINC000379119206 712369970 /nfs/dbraw/zinc/36/99/70/712369970.db2.gz LIGYPNCQQBMLMT-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1csc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000379119303 353581544 /nfs/dbraw/zinc/58/15/44/353581544.db2.gz LJTBLBURZAWKND-IMRBUKKESA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000379119306 353581896 /nfs/dbraw/zinc/58/18/96/353581896.db2.gz LJTBLBURZAWKND-RYUDHWBXSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000379119308 353582159 /nfs/dbraw/zinc/58/21/59/353582159.db2.gz LJTBLBURZAWKND-VXGBXAGGSA-N 1 0 237.412 3.971 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000379126370 353614995 /nfs/dbraw/zinc/61/49/95/353614995.db2.gz RFXOZGBNWGYSFU-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000379126371 353614883 /nfs/dbraw/zinc/61/48/83/353614883.db2.gz RFXOZGBNWGYSFU-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000379133618 353663791 /nfs/dbraw/zinc/66/37/91/353663791.db2.gz PZGOHXCEYWUJDH-JTQLQIEISA-N 1 0 237.393 3.969 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000379133619 353663700 /nfs/dbraw/zinc/66/37/00/353663700.db2.gz PZGOHXCEYWUJDH-SNVBAGLBSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000379133926 353657468 /nfs/dbraw/zinc/65/74/68/353657468.db2.gz QDLBCYOINQDVPT-FRRDWIJNSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000379133928 353657411 /nfs/dbraw/zinc/65/74/11/353657411.db2.gz QDLBCYOINQDVPT-JHJVBQTASA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000379133929 353657643 /nfs/dbraw/zinc/65/76/43/353657643.db2.gz QDLBCYOINQDVPT-RWMBFGLXSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000379133931 353657507 /nfs/dbraw/zinc/65/75/07/353657507.db2.gz QDLBCYOINQDVPT-YNEHKIRRSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000379154851 353829316 /nfs/dbraw/zinc/82/93/16/353829316.db2.gz WMUHQVNREBIOOJ-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000379154852 353829095 /nfs/dbraw/zinc/82/90/95/353829095.db2.gz WMUHQVNREBIOOJ-PJXYFTJBSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000379154853 353829012 /nfs/dbraw/zinc/82/90/12/353829012.db2.gz WMUHQVNREBIOOJ-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000379157462 388591974 /nfs/dbraw/zinc/59/19/74/388591974.db2.gz XDRAWQIAHFWLGG-AAEUAGOBSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c1 ZINC000379157463 388591469 /nfs/dbraw/zinc/59/14/69/388591469.db2.gz XDRAWQIAHFWLGG-DGCLKSJQSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000379157464 388591885 /nfs/dbraw/zinc/59/18/85/388591885.db2.gz XDRAWQIAHFWLGG-WCQYABFASA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c1 ZINC000379157465 388591538 /nfs/dbraw/zinc/59/15/38/388591538.db2.gz XDRAWQIAHFWLGG-YPMHNXCESA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000379159619 355728177 /nfs/dbraw/zinc/72/81/77/355728177.db2.gz XRPRWGQDKMCDEJ-MPKXVKKWSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000379159620 355728048 /nfs/dbraw/zinc/72/80/48/355728048.db2.gz XRPRWGQDKMCDEJ-SCDSUCTJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000379159621 355728366 /nfs/dbraw/zinc/72/83/66/355728366.db2.gz XRPRWGQDKMCDEJ-VHRBIJSZSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000379159622 355728239 /nfs/dbraw/zinc/72/82/39/355728239.db2.gz XRPRWGQDKMCDEJ-ZKYQVNSYSA-N 1 0 237.412 3.971 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@H](OC)c1ccccc1 ZINC000379160960 355808515 /nfs/dbraw/zinc/80/85/15/355808515.db2.gz LXWGTAWCCBWGKR-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@@H](OC)c1ccccc1 ZINC000379160961 355808478 /nfs/dbraw/zinc/80/84/78/355808478.db2.gz LXWGTAWCCBWGKR-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000379167742 356413399 /nfs/dbraw/zinc/41/33/99/356413399.db2.gz JRONKXGBNHYSJT-UHFFFAOYSA-N 1 0 249.251 3.759 20 0 BHADRO CC(C)c1ccc(C[NH2+]CCC(C)(F)F)cc1 ZINC000379169251 356428084 /nfs/dbraw/zinc/42/80/84/356428084.db2.gz KELVVGDNAVVRQT-UHFFFAOYSA-N 1 0 241.325 3.945 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)c1c(F)cccc1F ZINC000379171795 356428422 /nfs/dbraw/zinc/42/84/22/356428422.db2.gz LFTMRRIARCIKOQ-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)c1c(F)cccc1F ZINC000379171796 356428185 /nfs/dbraw/zinc/42/81/85/356428185.db2.gz LFTMRRIARCIKOQ-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(C)(F)F)c(C)c1 ZINC000379189028 388596405 /nfs/dbraw/zinc/59/64/05/388596405.db2.gz STLUQUCORKSKCV-UHFFFAOYSA-N 1 0 241.325 3.747 20 0 BHADRO CCOCC(C)(C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000379197071 356432242 /nfs/dbraw/zinc/43/22/42/356432242.db2.gz GGFPLMAVJJWSRR-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000379199667 356430282 /nfs/dbraw/zinc/43/02/82/356430282.db2.gz YBIHOACMZANJNO-GFCCVEGCSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000379199670 356430142 /nfs/dbraw/zinc/43/01/42/356430142.db2.gz YBIHOACMZANJNO-LBPRGKRZSA-N 1 0 241.325 3.999 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379247519 712371694 /nfs/dbraw/zinc/37/16/94/712371694.db2.gz CAHNORDOLJNSSC-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379247520 712371719 /nfs/dbraw/zinc/37/17/19/712371719.db2.gz CAHNORDOLJNSSC-RRFJBIMHSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379247521 712371750 /nfs/dbraw/zinc/37/17/50/712371750.db2.gz CAHNORDOLJNSSC-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379247524 712371648 /nfs/dbraw/zinc/37/16/48/712371648.db2.gz CAHNORDOLJNSSC-ZNMIVQPWSA-N 1 0 241.419 3.893 20 0 BHADRO Cc1csc(C[NH2+]Cc2cc(C)ccc2C)c1 ZINC000379249394 356438273 /nfs/dbraw/zinc/43/82/73/356438273.db2.gz BIEPQLNEIDECNN-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000379249511 345385801 /nfs/dbraw/zinc/38/58/01/345385801.db2.gz DFSLZQFDLIHXTR-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000379249512 356438171 /nfs/dbraw/zinc/43/81/71/356438171.db2.gz DFSLZQFDLIHXTR-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CO[C@H](C[NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000379249962 356437876 /nfs/dbraw/zinc/43/78/76/356437876.db2.gz BNWDIQTWIUNILA-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000379249963 356438240 /nfs/dbraw/zinc/43/82/40/356438240.db2.gz BNWDIQTWIUNILA-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H]1CCCCO1 ZINC000379251253 538976727 /nfs/dbraw/zinc/97/67/27/538976727.db2.gz FOADZBLINVQDNU-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H]1CCCCO1 ZINC000379251254 538976372 /nfs/dbraw/zinc/97/63/72/538976372.db2.gz FOADZBLINVQDNU-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@H]1CCCCO1 ZINC000379251255 538976720 /nfs/dbraw/zinc/97/67/20/538976720.db2.gz FOADZBLINVQDNU-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H]1CCCCO1 ZINC000379251256 538976409 /nfs/dbraw/zinc/97/64/09/538976409.db2.gz FOADZBLINVQDNU-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000379253828 371063967 /nfs/dbraw/zinc/06/39/67/371063967.db2.gz DGMKZTQXAABGHR-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000379254957 538976731 /nfs/dbraw/zinc/97/67/31/538976731.db2.gz IITQDKPPXYQFMO-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000379254958 538976586 /nfs/dbraw/zinc/97/65/86/538976586.db2.gz IITQDKPPXYQFMO-LZWOXQAQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000379254959 538976387 /nfs/dbraw/zinc/97/63/87/538976387.db2.gz IITQDKPPXYQFMO-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000379254960 538976711 /nfs/dbraw/zinc/97/67/11/538976711.db2.gz IITQDKPPXYQFMO-SQWLQELKSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000379257494 356438261 /nfs/dbraw/zinc/43/82/61/356438261.db2.gz FZMUTPIJXMGTAF-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCC(C)(F)F ZINC000379258724 345802941 /nfs/dbraw/zinc/80/29/41/345802941.db2.gz LAITTZNSSBHIRR-MRVPVSSYSA-N 1 0 247.251 3.742 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCC(C)(F)F ZINC000379258725 345803326 /nfs/dbraw/zinc/80/33/26/345803326.db2.gz LAITTZNSSBHIRR-QMMMGPOBSA-N 1 0 247.251 3.742 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@H]1CCCCO1 ZINC000379260575 388602637 /nfs/dbraw/zinc/60/26/37/388602637.db2.gz MGUWDEPVPZAPGV-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@@H]1CCCCO1 ZINC000379260576 388602075 /nfs/dbraw/zinc/60/20/75/388602075.db2.gz MGUWDEPVPZAPGV-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@@H]1CCCCO1 ZINC000379260577 388602042 /nfs/dbraw/zinc/60/20/42/388602042.db2.gz MGUWDEPVPZAPGV-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@H]1CCCCO1 ZINC000379260578 388602714 /nfs/dbraw/zinc/60/27/14/388602714.db2.gz MGUWDEPVPZAPGV-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000379260838 371063911 /nfs/dbraw/zinc/06/39/11/371063911.db2.gz HGPKHQMATQKXJT-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1csc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000379260839 371064096 /nfs/dbraw/zinc/06/40/96/371064096.db2.gz HGPKHQMATQKXJT-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CCCCO1 ZINC000379262071 538976678 /nfs/dbraw/zinc/97/66/78/538976678.db2.gz NPIZTHCTZNGGCJ-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CCCCO1 ZINC000379262072 538976361 /nfs/dbraw/zinc/97/63/61/538976361.db2.gz NPIZTHCTZNGGCJ-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CCCCO1 ZINC000379262073 538976815 /nfs/dbraw/zinc/97/68/15/538976815.db2.gz NPIZTHCTZNGGCJ-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CCCCO1 ZINC000379262074 538976621 /nfs/dbraw/zinc/97/66/21/538976621.db2.gz NPIZTHCTZNGGCJ-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)cc2C)c1 ZINC000379263058 356437332 /nfs/dbraw/zinc/43/73/32/356437332.db2.gz ILBHKKDZJYPCTJ-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1csc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000379263382 371065061 /nfs/dbraw/zinc/06/50/61/371065061.db2.gz INZDWZOAOGEYTC-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO Cc1csc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000379263388 371065468 /nfs/dbraw/zinc/06/54/68/371065468.db2.gz INZDWZOAOGEYTC-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000379265523 356439677 /nfs/dbraw/zinc/43/96/77/356439677.db2.gz JPQVECQXORRZDH-GHMZBOCLSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000379265524 356439550 /nfs/dbraw/zinc/43/95/50/356439550.db2.gz JPQVECQXORRZDH-MNOVXSKESA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000379265525 356439904 /nfs/dbraw/zinc/43/99/04/356439904.db2.gz JPQVECQXORRZDH-QWRGUYRKSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000379265526 356439896 /nfs/dbraw/zinc/43/98/96/356439896.db2.gz JPQVECQXORRZDH-WDEREUQCSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000379266894 356440066 /nfs/dbraw/zinc/44/00/66/356440066.db2.gz RRKQKOSJXKBZJD-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000379266895 356439662 /nfs/dbraw/zinc/43/96/62/356439662.db2.gz RRKQKOSJXKBZJD-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000379266896 356439732 /nfs/dbraw/zinc/43/97/32/356439732.db2.gz RRKQKOSJXKBZJD-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000379266897 356439882 /nfs/dbraw/zinc/43/98/82/356439882.db2.gz RRKQKOSJXKBZJD-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000379267191 538976457 /nfs/dbraw/zinc/97/64/57/538976457.db2.gz SDDFUFUEGCTKRW-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)cc1 ZINC000379267193 538976446 /nfs/dbraw/zinc/97/64/46/538976446.db2.gz SDDFUFUEGCTKRW-LZWOXQAQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)cc1 ZINC000379267195 538976373 /nfs/dbraw/zinc/97/63/73/538976373.db2.gz SDDFUFUEGCTKRW-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)cc1 ZINC000379267196 538976709 /nfs/dbraw/zinc/97/67/09/538976709.db2.gz SDDFUFUEGCTKRW-SQWLQELKSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(F)F)cc1Cl ZINC000379269041 356440788 /nfs/dbraw/zinc/44/07/88/356440788.db2.gz TYZQRHUISJXGJI-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379269791 388604516 /nfs/dbraw/zinc/60/45/16/388604516.db2.gz UUMADULWDMUCFF-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1csc(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000379269844 356440533 /nfs/dbraw/zinc/44/05/33/356440533.db2.gz LNIARMNQBXFPRR-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379269989 388604931 /nfs/dbraw/zinc/60/49/31/388604931.db2.gz UUMADULWDMUCFF-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379269993 388605016 /nfs/dbraw/zinc/60/50/16/388605016.db2.gz UUMADULWDMUCFF-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379270002 387535983 /nfs/dbraw/zinc/53/59/83/387535983.db2.gz UUMADULWDMUCFF-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000379270980 356440909 /nfs/dbraw/zinc/44/09/09/356440909.db2.gz VSJKBUGGWIDFHQ-GFCCVEGCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000379270981 356440637 /nfs/dbraw/zinc/44/06/37/356440637.db2.gz VSJKBUGGWIDFHQ-LBPRGKRZSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000379271270 356440559 /nfs/dbraw/zinc/44/05/59/356440559.db2.gz MGXLTBFKPCQILH-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CC(F)(F)CC[NH2+]CC1CCC(C)(C)CC1 ZINC000379274626 356438139 /nfs/dbraw/zinc/43/81/39/356438139.db2.gz YLIRBKCCSXAZJZ-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(C)(F)F)CC1 ZINC000379274864 387536441 /nfs/dbraw/zinc/53/64/41/387536441.db2.gz YPMBALGSXXJHMZ-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)CC1 ZINC000379274865 388604262 /nfs/dbraw/zinc/60/42/62/388604262.db2.gz YPMBALGSXXJHMZ-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(C)(F)F)CC1 ZINC000379274866 388604743 /nfs/dbraw/zinc/60/47/43/388604743.db2.gz YPMBALGSXXJHMZ-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)CC1 ZINC000379274867 388605021 /nfs/dbraw/zinc/60/50/21/388605021.db2.gz YPMBALGSXXJHMZ-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)c1cccs1 ZINC000379277630 356438707 /nfs/dbraw/zinc/43/87/07/356438707.db2.gz AWRQBXKZMCRFMY-SECBINFHSA-N 1 0 233.327 3.834 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)c1cccs1 ZINC000379277633 356439263 /nfs/dbraw/zinc/43/92/63/356439263.db2.gz AWRQBXKZMCRFMY-VIFPVBQESA-N 1 0 233.327 3.834 20 0 BHADRO CO[C@@H](C[NH2+]CC1(C)CCCC1)c1ccccc1 ZINC000379282191 712372194 /nfs/dbraw/zinc/37/21/94/712372194.db2.gz RDTXFLPRKKEWSC-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CO[C@H](C[NH2+]CC1(C)CCCC1)c1ccccc1 ZINC000379282192 712372362 /nfs/dbraw/zinc/37/23/62/712372362.db2.gz RDTXFLPRKKEWSC-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000379289976 356442549 /nfs/dbraw/zinc/44/25/49/356442549.db2.gz JEBTUJKYEHXYRE-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000379289977 356442127 /nfs/dbraw/zinc/44/21/27/356442127.db2.gz JEBTUJKYEHXYRE-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC(CCC)[NH2+]CCC(C)(F)F ZINC000379291026 356443569 /nfs/dbraw/zinc/44/35/69/356443569.db2.gz JWUFADVPVSAZNF-UHFFFAOYSA-N 1 0 207.308 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)cs1 ZINC000379293196 356443727 /nfs/dbraw/zinc/44/37/27/356443727.db2.gz WEXPIPJEIBXZDY-LLVKDONJSA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)cs1 ZINC000379293197 356443197 /nfs/dbraw/zinc/44/31/97/356443197.db2.gz WEXPIPJEIBXZDY-NSHDSACASA-N 1 0 211.374 3.725 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1cc(C)cs1 ZINC000379295935 356443407 /nfs/dbraw/zinc/44/34/07/356443407.db2.gz XIXZSWRIXZATEC-JTQLQIEISA-N 1 0 211.374 3.582 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1cc(C)cs1 ZINC000379295937 356443470 /nfs/dbraw/zinc/44/34/70/356443470.db2.gz XIXZSWRIXZATEC-SNVBAGLBSA-N 1 0 211.374 3.582 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC(C)(F)F ZINC000379302048 712373144 /nfs/dbraw/zinc/37/31/44/712373144.db2.gz PWSAQIUSODWVEG-JTQLQIEISA-N 1 0 207.308 3.590 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC(C)(F)F ZINC000379302049 711799379 /nfs/dbraw/zinc/79/93/79/711799379.db2.gz PWSAQIUSODWVEG-SNVBAGLBSA-N 1 0 207.308 3.590 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cs1)C(C)C ZINC000379302162 342700759 /nfs/dbraw/zinc/70/07/59/342700759.db2.gz ZNQLCCIERKWPNU-GFCCVEGCSA-N 1 0 211.374 3.581 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)C(C)C ZINC000379302163 342700691 /nfs/dbraw/zinc/70/06/91/342700691.db2.gz ZNQLCCIERKWPNU-LBPRGKRZSA-N 1 0 211.374 3.581 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000379304330 356440351 /nfs/dbraw/zinc/44/03/51/356440351.db2.gz RUTQAUNDKJUDQK-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000379304331 356440700 /nfs/dbraw/zinc/44/07/00/356440700.db2.gz RUTQAUNDKJUDQK-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000379305759 356440680 /nfs/dbraw/zinc/44/06/80/356440680.db2.gz UFJYIPPZJVMGLI-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000379305760 356440670 /nfs/dbraw/zinc/44/06/70/356440670.db2.gz UFJYIPPZJVMGLI-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000379305761 356440723 /nfs/dbraw/zinc/44/07/23/356440723.db2.gz UFJYIPPZJVMGLI-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000379305762 356440771 /nfs/dbraw/zinc/44/07/71/356440771.db2.gz UFJYIPPZJVMGLI-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000379307340 356440892 /nfs/dbraw/zinc/44/08/92/356440892.db2.gz VZKZMUBMMYHFKN-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CC[NH2+]CC1CCCCCC1 ZINC000379308015 356441121 /nfs/dbraw/zinc/44/11/21/356441121.db2.gz WSNCNVSLBVQALJ-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC(C)(F)F ZINC000379309491 712372978 /nfs/dbraw/zinc/37/29/78/712372978.db2.gz YPHMWPMJQPQPSA-LLVKDONJSA-N 1 0 221.335 3.980 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC(C)(F)F ZINC000379309492 712373000 /nfs/dbraw/zinc/37/30/00/712373000.db2.gz YPHMWPMJQPQPSA-NSHDSACASA-N 1 0 221.335 3.980 20 0 BHADRO CCCCC[NH2+]Cc1sccc1Cl ZINC000379342163 356447846 /nfs/dbraw/zinc/44/78/46/356447846.db2.gz CFVRZBHBHKBROD-UHFFFAOYSA-N 1 0 217.765 3.681 20 0 BHADRO CCCC[N@H+](C)Cc1cscc1Cl ZINC000379372587 584129304 /nfs/dbraw/zinc/12/93/04/584129304.db2.gz JRFVZSUWINBFHI-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CC[N@H+](Cc1cscc1Cl)C(C)C ZINC000379382538 712379781 /nfs/dbraw/zinc/37/97/81/712379781.db2.gz JBUHDQJPHCUUBA-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO C[C@@H](N(C)C/C(Cl)=C\Cl)C(C)(C)C ZINC000379387071 712380840 /nfs/dbraw/zinc/38/08/40/712380840.db2.gz ZWYSJXNGENTDLL-GTUWVTDSSA-N 1 0 224.175 3.672 20 0 BHADRO C[C@H](N(C)C/C(Cl)=C/Cl)C(C)(C)C ZINC000379387072 712381032 /nfs/dbraw/zinc/38/10/32/712381032.db2.gz ZWYSJXNGENTDLL-HWPCKVLBSA-N 1 0 224.175 3.672 20 0 BHADRO C[C@@H](N(C)C/C(Cl)=C/Cl)C(C)(C)C ZINC000379387073 712380715 /nfs/dbraw/zinc/38/07/15/712380715.db2.gz ZWYSJXNGENTDLL-WSQKDGNHSA-N 1 0 224.175 3.672 20 0 BHADRO CC[N@H+](C/C(Cl)=C/Cl)[C@H](C)C(C)C ZINC000379387193 711800991 /nfs/dbraw/zinc/80/09/91/711800991.db2.gz GVVZYZXEWBPUAH-WPVMNKCKSA-N 1 0 224.175 3.672 20 0 BHADRO CCN(C/C(Cl)=C\Cl)CC(C)(C)C ZINC000379392480 712381650 /nfs/dbraw/zinc/38/16/50/712381650.db2.gz RZGGPYNBFSSBQN-RMKNXTFCSA-N 1 0 224.175 3.673 20 0 BHADRO CCN(C/C(Cl)=C/Cl)CC(C)(C)C ZINC000379392481 712381362 /nfs/dbraw/zinc/38/13/62/712381362.db2.gz RZGGPYNBFSSBQN-TWGQIWQCSA-N 1 0 224.175 3.673 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccsc1Cl ZINC000379411776 356955136 /nfs/dbraw/zinc/95/51/36/356955136.db2.gz IVOGKBYCQDFUTG-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccsc1Cl ZINC000379412380 357004359 /nfs/dbraw/zinc/00/43/59/357004359.db2.gz JZXRCLIPDROEFZ-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CCC1CC([NH2+]CCSc2ccccc2)C1 ZINC000379428960 358484200 /nfs/dbraw/zinc/48/42/00/358484200.db2.gz DFZYKLKARCLRCF-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000379430789 358480110 /nfs/dbraw/zinc/48/01/10/358480110.db2.gz FBSPUBCIKZYVIO-GUTXKFCHSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000379430791 358480098 /nfs/dbraw/zinc/48/00/98/358480098.db2.gz FBSPUBCIKZYVIO-GZBFAFLISA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000379430792 358480194 /nfs/dbraw/zinc/48/01/94/358480194.db2.gz FBSPUBCIKZYVIO-NFAWXSAZSA-N 1 0 217.356 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000379430794 358480046 /nfs/dbraw/zinc/48/00/46/358480046.db2.gz FBSPUBCIKZYVIO-UMVBOHGHSA-N 1 0 217.356 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000379430932 538976924 /nfs/dbraw/zinc/97/69/24/538976924.db2.gz FEICQTGZFNRUDA-KBPBESRZSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000379430941 538977245 /nfs/dbraw/zinc/97/72/45/538977245.db2.gz FEICQTGZFNRUDA-KGLIPLIRSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000379430942 538977149 /nfs/dbraw/zinc/97/71/49/538977149.db2.gz FEICQTGZFNRUDA-UONOGXRCSA-N 1 0 219.372 3.643 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000379430943 538976920 /nfs/dbraw/zinc/97/69/20/538976920.db2.gz FEICQTGZFNRUDA-ZIAGYGMSSA-N 1 0 219.372 3.643 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1(C(F)(F)F)CC1 ZINC000379434950 358485550 /nfs/dbraw/zinc/48/55/50/358485550.db2.gz GUIHJSICOWDNNY-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1(C(F)(F)F)CC1 ZINC000379434971 358485232 /nfs/dbraw/zinc/48/52/32/358485232.db2.gz GUIHJSICOWDNNY-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC1)CCC2 ZINC000379440863 358493370 /nfs/dbraw/zinc/49/33/70/358493370.db2.gz JTXVUROMAIAQID-AWEZNQCLSA-N 1 0 235.758 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1CCC1)CCC2 ZINC000379440880 358492887 /nfs/dbraw/zinc/49/28/87/358492887.db2.gz JTXVUROMAIAQID-CQSZACIVSA-N 1 0 235.758 3.860 20 0 BHADRO FC1(F)CC(C[NH2+]CC2CCCCCC2)C1 ZINC000379453039 358488601 /nfs/dbraw/zinc/48/86/01/358488601.db2.gz LLPXRZQANHJRSH-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000379453750 358488567 /nfs/dbraw/zinc/48/85/67/358488567.db2.gz LXQOWOMKDTZYNV-GXTWGEPZSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000379453753 358488448 /nfs/dbraw/zinc/48/84/48/358488448.db2.gz LXQOWOMKDTZYNV-JSGCOSHPSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000379453755 358488499 /nfs/dbraw/zinc/48/84/99/358488499.db2.gz LXQOWOMKDTZYNV-OCCSQVGLSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000379453756 358488440 /nfs/dbraw/zinc/48/84/40/358488440.db2.gz LXQOWOMKDTZYNV-TZMCWYRMSA-N 1 0 235.758 3.618 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000379455408 712384809 /nfs/dbraw/zinc/38/48/09/712384809.db2.gz MZBIYZVMOUJQSK-CHWSQXEVSA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000379455409 712385169 /nfs/dbraw/zinc/38/51/69/712385169.db2.gz MZBIYZVMOUJQSK-OLZOCXBDSA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000379455410 712384852 /nfs/dbraw/zinc/38/48/52/712384852.db2.gz MZBIYZVMOUJQSK-QWHCGFSZSA-N 1 0 223.360 3.769 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000379455411 712384892 /nfs/dbraw/zinc/38/48/92/712384892.db2.gz MZBIYZVMOUJQSK-STQMWFEESA-N 1 0 223.360 3.769 20 0 BHADRO CCC1CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000379464059 358499978 /nfs/dbraw/zinc/49/99/78/358499978.db2.gz VVUICRKGMVRMMQ-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000379464233 358499964 /nfs/dbraw/zinc/49/99/64/358499964.db2.gz VYBPUXKNNAUWEB-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000379464234 358500151 /nfs/dbraw/zinc/50/01/51/358500151.db2.gz VYBPUXKNNAUWEB-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000379464235 358500144 /nfs/dbraw/zinc/50/01/44/358500144.db2.gz VYBPUXKNNAUWEB-TUAOUCFPSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000379464236 358500040 /nfs/dbraw/zinc/50/00/40/358500040.db2.gz VYBPUXKNNAUWEB-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000379466816 538977572 /nfs/dbraw/zinc/97/75/72/538977572.db2.gz YDBICXVWOMOIDU-GFCCVEGCSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000379466817 538977900 /nfs/dbraw/zinc/97/79/00/538977900.db2.gz YDBICXVWOMOIDU-LBPRGKRZSA-N 1 0 231.330 3.734 20 0 BHADRO C=Cc1ccc(CC[NH2+]C(CC)CC)cc1 ZINC000379467345 358500188 /nfs/dbraw/zinc/50/01/88/358500188.db2.gz YMWPPVMTRLWROI-UHFFFAOYSA-N 1 0 217.356 3.650 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C/C=C\Cl)c(C)s1 ZINC000379487687 712386033 /nfs/dbraw/zinc/38/60/33/712386033.db2.gz CGPLKGCEELMHSG-WBSSQXGSSA-N 1 0 229.776 3.768 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C/C=C\Cl)c(C)s1 ZINC000379487694 712386019 /nfs/dbraw/zinc/38/60/19/712386019.db2.gz CGPLKGCEELMHSG-XRVBUDJMSA-N 1 0 229.776 3.768 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000379487904 343565280 /nfs/dbraw/zinc/56/52/80/343565280.db2.gz KOCQYBZOVBEWBY-XOULXFPDSA-N 1 0 209.720 3.567 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1sccc1Cl ZINC000379492806 358498176 /nfs/dbraw/zinc/49/81/76/358498176.db2.gz SWPKVZBIGMTEDN-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)CCC[NH2+]Cc1sccc1Cl ZINC000379492826 358498061 /nfs/dbraw/zinc/49/80/61/358498061.db2.gz SXXNDMMNQPVIMU-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000379503508 712386107 /nfs/dbraw/zinc/38/61/07/712386107.db2.gz MHYAITIEHNVSFN-MRVPVSSYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1sccc1Cl ZINC000379503510 712386076 /nfs/dbraw/zinc/38/60/76/712386076.db2.gz MHYAITIEHNVSFN-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1sccc1Cl ZINC000379513051 358530864 /nfs/dbraw/zinc/53/08/64/358530864.db2.gz UOIIVJWXTPMGEB-SECBINFHSA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1sccc1Cl ZINC000379513052 358530596 /nfs/dbraw/zinc/53/05/96/358530596.db2.gz UOIIVJWXTPMGEB-VIFPVBQESA-N 1 0 231.792 3.783 20 0 BHADRO CC(C)([NH2+]Cc1sccc1Cl)C1CC1 ZINC000379515322 358533527 /nfs/dbraw/zinc/53/35/27/358533527.db2.gz XDUWMJYXOGVYBS-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO Clc1ccsc1C[NH2+]CCC1CCC1 ZINC000379517544 712387226 /nfs/dbraw/zinc/38/72/26/712387226.db2.gz ZQMSWWAWKCSLBD-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCSC(C)(C)C ZINC000379527172 712386973 /nfs/dbraw/zinc/38/69/73/712386973.db2.gz RMSLVORNIMDGPQ-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCSC(C)(C)C ZINC000379527173 712387153 /nfs/dbraw/zinc/38/71/53/712387153.db2.gz RMSLVORNIMDGPQ-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCSC(C)(C)C ZINC000379527178 712387083 /nfs/dbraw/zinc/38/70/83/712387083.db2.gz RMSLVORNIMDGPQ-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCSC(C)(C)C ZINC000379527179 712387040 /nfs/dbraw/zinc/38/70/40/712387040.db2.gz RMSLVORNIMDGPQ-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)c1ccsc1 ZINC000379566739 359546035 /nfs/dbraw/zinc/54/60/35/359546035.db2.gz IPOBYFIKSAJDCV-LLVKDONJSA-N 1 0 221.369 3.899 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)c1ccsc1 ZINC000379566741 359545780 /nfs/dbraw/zinc/54/57/80/359545780.db2.gz IPOBYFIKSAJDCV-NSHDSACASA-N 1 0 221.369 3.899 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC1=CCCCC1 ZINC000379566802 359546149 /nfs/dbraw/zinc/54/61/49/359546149.db2.gz IVPQHJKYNQNQHT-CYBMUJFWSA-N 1 0 233.355 3.691 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC1=CCCCC1 ZINC000379566805 359546134 /nfs/dbraw/zinc/54/61/34/359546134.db2.gz IVPQHJKYNQNQHT-ZDUSSCGKSA-N 1 0 233.355 3.691 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCCF ZINC000379567081 359546082 /nfs/dbraw/zinc/54/60/82/359546082.db2.gz DFKVGYKOTNGKSN-NEPJUHHUSA-N 1 0 203.345 3.541 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCCF ZINC000379567083 359545813 /nfs/dbraw/zinc/54/58/13/359545813.db2.gz DFKVGYKOTNGKSN-NWDGAFQWSA-N 1 0 203.345 3.541 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCCF ZINC000379567085 359546222 /nfs/dbraw/zinc/54/62/22/359546222.db2.gz DFKVGYKOTNGKSN-RYUDHWBXSA-N 1 0 203.345 3.541 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCCF ZINC000379567087 359545903 /nfs/dbraw/zinc/54/59/03/359545903.db2.gz DFKVGYKOTNGKSN-VXGBXAGGSA-N 1 0 203.345 3.541 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCSC ZINC000379568041 359555437 /nfs/dbraw/zinc/55/54/37/359555437.db2.gz FBXWTPGVWLGDDK-NEPJUHHUSA-N 1 0 217.422 3.544 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCSC ZINC000379568044 359555517 /nfs/dbraw/zinc/55/55/17/359555517.db2.gz FBXWTPGVWLGDDK-NWDGAFQWSA-N 1 0 217.422 3.544 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCSC ZINC000379568045 359555146 /nfs/dbraw/zinc/55/51/46/359555146.db2.gz FBXWTPGVWLGDDK-RYUDHWBXSA-N 1 0 217.422 3.544 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCSC ZINC000379568047 359555561 /nfs/dbraw/zinc/55/55/61/359555561.db2.gz FBXWTPGVWLGDDK-VXGBXAGGSA-N 1 0 217.422 3.544 20 0 BHADRO Clc1ccc(C[NH2+]CC2=CCCCC2)o1 ZINC000379568623 387587599 /nfs/dbraw/zinc/58/75/99/387587599.db2.gz MTHRQHNKRNUFBN-UHFFFAOYSA-N 1 0 225.719 3.523 20 0 BHADRO Cc1sccc1C[NH2+]CC1=CCCCC1 ZINC000379569833 387586924 /nfs/dbraw/zinc/58/69/24/387586924.db2.gz OUYGQTKOQMAPHM-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)c1cccs1 ZINC000379571715 359549042 /nfs/dbraw/zinc/54/90/42/359549042.db2.gz RHYIHHLIHLIVJD-LLVKDONJSA-N 1 0 221.369 3.899 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)c1cccs1 ZINC000379571716 359549048 /nfs/dbraw/zinc/54/90/48/359549048.db2.gz RHYIHHLIHLIVJD-NSHDSACASA-N 1 0 221.369 3.899 20 0 BHADRO Cc1ccsc1C[NH2+]CC1=CCCCC1 ZINC000379571835 359549028 /nfs/dbraw/zinc/54/90/28/359549028.db2.gz RTZSIHOYKGGTSQ-UHFFFAOYSA-N 1 0 221.369 3.647 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)C(C)(C)C ZINC000379574677 359549321 /nfs/dbraw/zinc/54/93/21/359549321.db2.gz JLNMAHOHVDLAKN-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)C(C)(C)C ZINC000379574678 359549008 /nfs/dbraw/zinc/54/90/08/359549008.db2.gz JLNMAHOHVDLAKN-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCCC1)c1ccc(F)cn1 ZINC000379575141 359549062 /nfs/dbraw/zinc/54/90/62/359549062.db2.gz XNAYXENUVQMIJG-AWEZNQCLSA-N 1 0 248.345 3.762 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCCC1)c1ccc(F)cn1 ZINC000379575142 359549279 /nfs/dbraw/zinc/54/92/79/359549279.db2.gz XNAYXENUVQMIJG-CQSZACIVSA-N 1 0 248.345 3.762 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)SC ZINC000379576169 359550278 /nfs/dbraw/zinc/55/02/78/359550278.db2.gz NJCATPJDQKRLSK-QJPTWQEYSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)SC ZINC000379576172 359550359 /nfs/dbraw/zinc/55/03/59/359550359.db2.gz NJCATPJDQKRLSK-SDDRHHMPSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)SC ZINC000379576175 359550556 /nfs/dbraw/zinc/55/05/56/359550556.db2.gz NJCATPJDQKRLSK-SRVKXCTJSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)SC ZINC000379576186 359550080 /nfs/dbraw/zinc/55/00/80/359550080.db2.gz NJCATPJDQKRLSK-TUAOUCFPSA-N 1 0 217.422 3.542 20 0 BHADRO c1cc2c(cccc2C[NH2+]CC2=CCCCC2)[nH]1 ZINC000379577003 359550034 /nfs/dbraw/zinc/55/00/34/359550034.db2.gz BHFMKEBOJOWSJA-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCCC2)o1 ZINC000379579175 359552855 /nfs/dbraw/zinc/55/28/55/359552855.db2.gz HAVPUURZJMCAKY-GFCCVEGCSA-N 1 0 219.328 3.739 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2=CCCCC2)o1 ZINC000379579178 359552876 /nfs/dbraw/zinc/55/28/76/359552876.db2.gz HAVPUURZJMCAKY-LBPRGKRZSA-N 1 0 219.328 3.739 20 0 BHADRO c1cc2ccc(C[NH2+]CC3=CCCCC3)cc2[nH]1 ZINC000379579452 359552425 /nfs/dbraw/zinc/55/24/25/359552425.db2.gz HQOINMQSOFESIH-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO Clc1sccc1C[NH2+]CCC1CCC1 ZINC000379579525 712389118 /nfs/dbraw/zinc/38/91/18/712389118.db2.gz WSNBJKICOCHVTQ-UHFFFAOYSA-N 1 0 229.776 3.681 20 0 BHADRO CCCCC[NH2+]Cc1ccc(SC)s1 ZINC000379579737 359552994 /nfs/dbraw/zinc/55/29/94/359552994.db2.gz XGHDGVYDBLIALR-UHFFFAOYSA-N 1 0 229.414 3.750 20 0 BHADRO CSc1ccc(C[NH2+]C2(C)CCC2)s1 ZINC000379580223 359552966 /nfs/dbraw/zinc/55/29/66/359552966.db2.gz YOBLJANAXWDPEH-UHFFFAOYSA-N 1 0 227.398 3.502 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1=CCCCC1 ZINC000379581069 398154935 /nfs/dbraw/zinc/15/49/35/398154935.db2.gz KPTXZLQKUSMYJX-HNNXBMFYSA-N 1 0 242.366 3.549 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]CC1=CCCCC1 ZINC000379581070 398155614 /nfs/dbraw/zinc/15/56/14/398155614.db2.gz KPTXZLQKUSMYJX-OAHLLOKOSA-N 1 0 242.366 3.549 20 0 BHADRO c1cc2cccc(C[NH2+]CC3=CCCCC3)c2[nH]1 ZINC000379581112 359553864 /nfs/dbraw/zinc/55/38/64/359553864.db2.gz KTIWVZMZPLTQHQ-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO c1cc2cc(C[NH2+]CC3=CCCCC3)ccc2[nH]1 ZINC000379581551 359553904 /nfs/dbraw/zinc/55/39/04/359553904.db2.gz LXUVHXCYEHDSOI-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)c1cccc(O)c1 ZINC000379587267 359560481 /nfs/dbraw/zinc/56/04/81/359560481.db2.gz LTPJMUDLWBKRIJ-GFCCVEGCSA-N 1 0 231.339 3.543 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)c1cccc(O)c1 ZINC000379587268 359561210 /nfs/dbraw/zinc/56/12/10/359561210.db2.gz LTPJMUDLWBKRIJ-LBPRGKRZSA-N 1 0 231.339 3.543 20 0 BHADRO C[C@@H]([NH2+]Cc1cscc1Cl)C1(C)CC1 ZINC000379589214 712389845 /nfs/dbraw/zinc/38/98/45/712389845.db2.gz VBCXWNHWSWMINO-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1cscc1Cl)C1(C)CC1 ZINC000379589216 712389796 /nfs/dbraw/zinc/38/97/96/712389796.db2.gz VBCXWNHWSWMINO-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1(C)CC1 ZINC000379593289 711804423 /nfs/dbraw/zinc/80/44/23/711804423.db2.gz BNCFUUUIOYTAHQ-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)cs1)C1(C)CC1 ZINC000379593290 712389809 /nfs/dbraw/zinc/38/98/09/712389809.db2.gz BNCFUUUIOYTAHQ-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO Cl/C=C/C[NH2+][C@H](c1cccs1)C1CC1 ZINC000379594344 712389727 /nfs/dbraw/zinc/38/97/27/712389727.db2.gz COHKCHVAQUBANO-GSQGTZRGSA-N 1 0 227.760 3.541 20 0 BHADRO Cl/C=C/C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000379594345 711804442 /nfs/dbraw/zinc/80/44/42/711804442.db2.gz COHKCHVAQUBANO-SZHMKSFOSA-N 1 0 227.760 3.541 20 0 BHADRO Cl/C=C\C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000379594346 711804418 /nfs/dbraw/zinc/80/44/18/711804418.db2.gz COHKCHVAQUBANO-WPPTZLTKSA-N 1 0 227.760 3.541 20 0 BHADRO Cl/C=C\C[NH2+][C@H](c1cccs1)C1CC1 ZINC000379594347 711804427 /nfs/dbraw/zinc/80/44/27/711804427.db2.gz COHKCHVAQUBANO-ZYVOWACSSA-N 1 0 227.760 3.541 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1cccs1 ZINC000379599528 359567958 /nfs/dbraw/zinc/56/79/58/359567958.db2.gz JPHIWGYVRRWJEZ-UHFFFAOYSA-N 1 0 211.374 3.619 20 0 BHADRO CC(C)c1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC000379603848 712390454 /nfs/dbraw/zinc/39/04/54/712390454.db2.gz BKWWEGBAMXRTDV-BAQGIRSFSA-N 1 0 223.747 3.652 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379604253 343582213 /nfs/dbraw/zinc/58/22/13/343582213.db2.gz OYCLHEITNPEWCU-IHWYPQMZSA-N 1 0 230.138 3.659 20 0 BHADRO C/C=C/C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379604254 343582235 /nfs/dbraw/zinc/58/22/35/343582235.db2.gz OYCLHEITNPEWCU-NSCUHMNNSA-N 1 0 230.138 3.659 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C/C=C\Cl ZINC000379605288 712390399 /nfs/dbraw/zinc/39/03/99/712390399.db2.gz PRYQTUWROABLOH-SGLQCISKSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C/C=C/Cl ZINC000379605289 712390485 /nfs/dbraw/zinc/39/04/85/712390485.db2.gz PRYQTUWROABLOH-UEUGTDCTSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C/C=C\Cl ZINC000379605291 712390392 /nfs/dbraw/zinc/39/03/92/712390392.db2.gz PRYQTUWROABLOH-WZFVEOJDSA-N 1 0 215.768 3.687 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C/C=C/Cl ZINC000379605292 712390424 /nfs/dbraw/zinc/39/04/24/712390424.db2.gz PRYQTUWROABLOH-YRCSQKNFSA-N 1 0 215.768 3.687 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)s1 ZINC000379606499 359565281 /nfs/dbraw/zinc/56/52/81/359565281.db2.gz QRLDEMCAIYZIFI-UHFFFAOYSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccsc1Cl ZINC000379609427 359566939 /nfs/dbraw/zinc/56/69/39/359566939.db2.gz SAZJGDPELMTOEJ-UHFFFAOYSA-N 1 0 229.776 3.847 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C(C)(C)C(F)F ZINC000379609470 538107938 /nfs/dbraw/zinc/10/79/38/538107938.db2.gz SEIRTFOQDBEHQX-SECBINFHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)[NH2+]C(C)(C)C(F)F ZINC000379609471 538107949 /nfs/dbraw/zinc/10/79/49/538107949.db2.gz SEIRTFOQDBEHQX-VIFPVBQESA-N 1 0 207.308 3.589 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000379609851 359566888 /nfs/dbraw/zinc/56/68/88/359566888.db2.gz SNXQOGXOULHYST-SECBINFHSA-N 1 0 231.792 3.926 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000379609856 359566008 /nfs/dbraw/zinc/56/60/08/359566008.db2.gz SNXQOGXOULHYST-VIFPVBQESA-N 1 0 231.792 3.926 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccsc1C ZINC000379610689 359566833 /nfs/dbraw/zinc/56/68/33/359566833.db2.gz TVWURRSCLNOHRY-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO CCSCCC[NH2+]Cc1cscc1Cl ZINC000379614845 343584567 /nfs/dbraw/zinc/58/45/67/343584567.db2.gz YATCAKKVEIQBBK-UHFFFAOYSA-N 1 0 249.832 3.634 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cscc1Cl ZINC000379620464 538978602 /nfs/dbraw/zinc/97/86/02/538978602.db2.gz DSBDTQQKXDISMF-UHFFFAOYSA-N 1 0 229.776 3.847 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000379626371 359571131 /nfs/dbraw/zinc/57/11/31/359571131.db2.gz KFRYJFKGHSLTNS-AXFHLTTASA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000379626381 359571318 /nfs/dbraw/zinc/57/13/18/359571318.db2.gz KFRYJFKGHSLTNS-HBNTYKKESA-N 1 0 209.358 3.587 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cccs1 ZINC000379626466 359570976 /nfs/dbraw/zinc/57/09/76/359570976.db2.gz KIOIEJOQZUQMRI-UHFFFAOYSA-N 1 0 211.374 3.662 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000379644150 712390941 /nfs/dbraw/zinc/39/09/41/712390941.db2.gz UKLQEAJORYBYIW-KSHIFHCESA-N 1 0 223.747 3.652 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000379644153 712390769 /nfs/dbraw/zinc/39/07/69/712390769.db2.gz UKLQEAJORYBYIW-NJHLSQGMSA-N 1 0 223.747 3.652 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000379652484 538108396 /nfs/dbraw/zinc/10/83/96/538108396.db2.gz GVBHEONNMLKINK-CKYFFXLPSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccsc1 ZINC000379652485 538108398 /nfs/dbraw/zinc/10/83/98/538108398.db2.gz GVBHEONNMLKINK-FOGDFJRCSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000379652486 538108418 /nfs/dbraw/zinc/10/84/18/538108418.db2.gz GVBHEONNMLKINK-HOSYDEDBSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000379652490 538979376 /nfs/dbraw/zinc/97/93/76/538979376.db2.gz GVBHEONNMLKINK-UMNHJUIQSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cscc1Cl ZINC000379652846 711805941 /nfs/dbraw/zinc/80/59/41/711805941.db2.gz HIVXBSNSLYWLNM-MRVPVSSYSA-N 1 0 229.776 3.680 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cscc1Cl ZINC000379652847 711805995 /nfs/dbraw/zinc/80/59/95/711805995.db2.gz HIVXBSNSLYWLNM-QMMMGPOBSA-N 1 0 229.776 3.680 20 0 BHADRO CSc1ccc(C[NH2+]C2CCCC2)s1 ZINC000379654164 359575223 /nfs/dbraw/zinc/57/52/23/359575223.db2.gz IRTWGLVJIYQDIJ-UHFFFAOYSA-N 1 0 227.398 3.502 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cscc1Cl ZINC000379665270 711807478 /nfs/dbraw/zinc/80/74/78/711807478.db2.gz VTBOTEBQWVDZKH-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCCCS1 ZINC000379681517 359736749 /nfs/dbraw/zinc/73/67/49/359736749.db2.gz RFHABBFLBAZVHY-AJHXJQRKSA-N 1 0 247.407 3.575 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCCCS1 ZINC000379681518 359736733 /nfs/dbraw/zinc/73/67/33/359736733.db2.gz RFHABBFLBAZVHY-WUKHSURWSA-N 1 0 247.407 3.575 20 0 BHADRO CCC1([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000379712252 361346296 /nfs/dbraw/zinc/34/62/96/361346296.db2.gz DMIWVXDBAXKFMP-UHFFFAOYSA-N 1 0 233.355 3.506 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000379712437 361346648 /nfs/dbraw/zinc/34/66/48/361346648.db2.gz DQGHZJDEXJVPJS-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000379712438 361346629 /nfs/dbraw/zinc/34/66/29/361346629.db2.gz DQGHZJDEXJVPJS-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(CC)CC2)cc1 ZINC000379712498 361346801 /nfs/dbraw/zinc/34/68/01/361346801.db2.gz DUFPOEYGXPFZMJ-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCC1([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000379716688 361352275 /nfs/dbraw/zinc/35/22/75/361352275.db2.gz NYHBLYGPURJWOH-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CCC1([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000379719659 361356651 /nfs/dbraw/zinc/35/66/51/361356651.db2.gz XNJDOXPXNHHTJB-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CCC1([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000379720878 361358289 /nfs/dbraw/zinc/35/82/89/361358289.db2.gz BSRWJPPNYROHFK-UHFFFAOYSA-N 1 0 225.282 3.656 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000379721804 361358195 /nfs/dbraw/zinc/35/81/95/361358195.db2.gz HACWANJLPYECLE-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000379721842 361358004 /nfs/dbraw/zinc/35/80/04/361358004.db2.gz HDNAYLYCALEDAX-UHFFFAOYSA-N 1 0 229.323 3.773 20 0 BHADRO CCC1([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000379722510 361359648 /nfs/dbraw/zinc/35/96/48/361359648.db2.gz JMWAMGRIFXBBCZ-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2csc3ccccc23)CC1 ZINC000379723446 361360311 /nfs/dbraw/zinc/36/03/11/361360311.db2.gz NSBADDUHZQQREK-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000379727425 361363245 /nfs/dbraw/zinc/36/32/45/361363245.db2.gz XVKBCEUHCDTTGQ-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000379728452 361366798 /nfs/dbraw/zinc/36/67/98/361366798.db2.gz CAEIIGYOVOTJTL-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000379728648 361367628 /nfs/dbraw/zinc/36/76/28/361367628.db2.gz DBLVSEJNYGXMBV-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000379728701 361367974 /nfs/dbraw/zinc/36/79/74/361367974.db2.gz DKSQHAKWPPSFTE-CYBMUJFWSA-N 1 0 243.435 3.854 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000379728702 361367734 /nfs/dbraw/zinc/36/77/34/361367734.db2.gz DKSQHAKWPPSFTE-ZDUSSCGKSA-N 1 0 243.435 3.854 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000379729370 361367726 /nfs/dbraw/zinc/36/77/26/361367726.db2.gz HUNGLYQHBIQULA-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000379729483 398164056 /nfs/dbraw/zinc/16/40/56/398164056.db2.gz INVFGGFJIGPNBM-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CCC1([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000379729577 361369784 /nfs/dbraw/zinc/36/97/84/361369784.db2.gz IYRGMCVYIQLZQK-UHFFFAOYSA-N 1 0 215.340 3.596 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000379730748 361369882 /nfs/dbraw/zinc/36/98/82/361369882.db2.gz OTFQKJCXAWXQRB-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000379730759 361369560 /nfs/dbraw/zinc/36/95/60/361369560.db2.gz OURNRVNOACUDKN-UHFFFAOYSA-N 1 0 227.710 3.511 20 0 BHADRO CCC1([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000379731620 361370184 /nfs/dbraw/zinc/37/01/84/361370184.db2.gz UUWVEOIZQLZDHE-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CCC1([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000379731621 361370244 /nfs/dbraw/zinc/37/02/44/361370244.db2.gz UUWVEOIZQLZDHE-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)CCC(C)(C)C ZINC000379732048 411318782 /nfs/dbraw/zinc/31/87/82/411318782.db2.gz WYMAYTJYGCFACX-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000379732049 411318681 /nfs/dbraw/zinc/31/86/81/411318681.db2.gz WYMAYTJYGCFACX-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000379734233 637342381 /nfs/dbraw/zinc/34/23/81/637342381.db2.gz DGLYSEKUDOTCJE-UHFFFAOYSA-N 1 0 239.309 3.902 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(C(C)C)CC2)cc1 ZINC000379734376 491079736 /nfs/dbraw/zinc/07/97/36/491079736.db2.gz DPVFHKIFRXHWEJ-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)C1([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000379734776 361374631 /nfs/dbraw/zinc/37/46/31/361374631.db2.gz GNFKKLGAEOJPID-AWEZNQCLSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C1([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000379734778 361374562 /nfs/dbraw/zinc/37/45/62/361374562.db2.gz GNFKKLGAEOJPID-CQSZACIVSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000379735368 398163902 /nfs/dbraw/zinc/16/39/02/398163902.db2.gz IVDWGSSJPISMLY-AAEUAGOBSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000379735369 398163916 /nfs/dbraw/zinc/16/39/16/398163916.db2.gz IVDWGSSJPISMLY-DGCLKSJQSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000379735370 398164142 /nfs/dbraw/zinc/16/41/42/398164142.db2.gz IVDWGSSJPISMLY-WCQYABFASA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000379735371 398164008 /nfs/dbraw/zinc/16/40/08/398164008.db2.gz IVDWGSSJPISMLY-YPMHNXCESA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C1([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000379736363 398164116 /nfs/dbraw/zinc/16/41/16/398164116.db2.gz ALUZGMIAZCOPRJ-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO CC(C)C1([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000379736558 411319986 /nfs/dbraw/zinc/31/99/86/411319986.db2.gz OCVVTOBHZZVKLM-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000379737056 388255588 /nfs/dbraw/zinc/25/55/88/388255588.db2.gz QAPBRCHEBXPIFT-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000379737234 388255758 /nfs/dbraw/zinc/25/57/58/388255758.db2.gz QZNAVGQZIDJCAM-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000379737308 398163961 /nfs/dbraw/zinc/16/39/61/398163961.db2.gz RGUPKDZUDFISON-UHFFFAOYSA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2(C(C)C)CC2)cc1 ZINC000379738231 361382065 /nfs/dbraw/zinc/38/20/65/361382065.db2.gz UXZAELAIHRYUKL-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000379741048 361390333 /nfs/dbraw/zinc/39/03/33/361390333.db2.gz KCHSJXXDJMVQRN-DZGCQCFKSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000379741049 361390425 /nfs/dbraw/zinc/39/04/25/361390425.db2.gz KCHSJXXDJMVQRN-HIFRSBDPSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000379741050 361390340 /nfs/dbraw/zinc/39/03/40/361390340.db2.gz KCHSJXXDJMVQRN-UKRRQHHQSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000379741051 361390433 /nfs/dbraw/zinc/39/04/33/361390433.db2.gz KCHSJXXDJMVQRN-ZFWWWQNUSA-N 1 0 231.383 3.958 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(CC)CC2)c1 ZINC000379741161 361390394 /nfs/dbraw/zinc/39/03/94/361390394.db2.gz NCKLTVJPUDWOLA-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CC(C)C1([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000379741875 343609512 /nfs/dbraw/zinc/60/95/12/343609512.db2.gz MHORWNBCUNPNKU-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000379742011 361390268 /nfs/dbraw/zinc/39/02/68/361390268.db2.gz PXUIDHODCRTKGH-UHFFFAOYSA-N 1 0 233.355 3.506 20 0 BHADRO CCC1([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000379742252 361391813 /nfs/dbraw/zinc/39/18/13/361391813.db2.gz QLUIXYDDJAJXFY-UHFFFAOYSA-N 1 0 243.272 3.738 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000379744521 398164106 /nfs/dbraw/zinc/16/41/06/398164106.db2.gz QLMOBUJPGLZYIA-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000379744829 361422001 /nfs/dbraw/zinc/42/20/01/361422001.db2.gz RPZLEFPTLNFMPG-AXFHLTTASA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000379744830 361422208 /nfs/dbraw/zinc/42/22/08/361422208.db2.gz RPZLEFPTLNFMPG-DCAQKATOSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000379744831 361421672 /nfs/dbraw/zinc/42/16/72/361421672.db2.gz RPZLEFPTLNFMPG-MXWKQRLJSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000379744832 361421335 /nfs/dbraw/zinc/42/13/35/361421335.db2.gz RPZLEFPTLNFMPG-VWYCJHECSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750115 361488910 /nfs/dbraw/zinc/48/89/10/361488910.db2.gz JSLXJKKKELYLGX-BXKDBHETSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750116 361488359 /nfs/dbraw/zinc/48/83/59/361488359.db2.gz JSLXJKKKELYLGX-CABZTGNLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750117 361488537 /nfs/dbraw/zinc/48/85/37/361488537.db2.gz JSLXJKKKELYLGX-JOYOIKCWSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750118 361488596 /nfs/dbraw/zinc/48/85/96/361488596.db2.gz JSLXJKKKELYLGX-SKDRFNHKSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000379753323 361782363 /nfs/dbraw/zinc/78/23/63/361782363.db2.gz BNJBJKRPENCGJO-JMSVASOKSA-N 1 0 249.423 3.966 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000379753326 361781905 /nfs/dbraw/zinc/78/19/05/361781905.db2.gz BNJBJKRPENCGJO-LALPHHSUSA-N 1 0 249.423 3.966 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000379753327 361782141 /nfs/dbraw/zinc/78/21/41/361782141.db2.gz BNJBJKRPENCGJO-YWPYICTPSA-N 1 0 249.423 3.966 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000379753328 361781882 /nfs/dbraw/zinc/78/18/82/361781882.db2.gz BNJBJKRPENCGJO-ZOWXZIJZSA-N 1 0 249.423 3.966 20 0 BHADRO Cc1cc(C[NH2+]CCCc2ccccc2)cs1 ZINC000379754324 361834190 /nfs/dbraw/zinc/83/41/90/361834190.db2.gz RMCHDFQFWBFQMJ-UHFFFAOYSA-N 1 0 245.391 3.779 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000379754998 361846175 /nfs/dbraw/zinc/84/61/75/361846175.db2.gz TZJLEPFLHLWPAO-BPUTZDHNSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000379755000 361845551 /nfs/dbraw/zinc/84/55/51/361845551.db2.gz TZJLEPFLHLWPAO-CWRNSKLLSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000379755002 361845507 /nfs/dbraw/zinc/84/55/07/361845507.db2.gz TZJLEPFLHLWPAO-KBMXLJTQSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000379755003 361845997 /nfs/dbraw/zinc/84/59/97/361845997.db2.gz TZJLEPFLHLWPAO-VNQPRFMTSA-N 1 0 231.383 3.814 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)C1CCCCC1 ZINC000379755312 361844933 /nfs/dbraw/zinc/84/49/33/361844933.db2.gz UNBYFGLYKYZLJZ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000379755313 361844615 /nfs/dbraw/zinc/84/46/15/361844615.db2.gz UNBYFGLYKYZLJZ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000379767572 363895168 /nfs/dbraw/zinc/89/51/68/363895168.db2.gz LCANKZLECJTCGW-CWRNSKLLSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000379767573 363895104 /nfs/dbraw/zinc/89/51/04/363895104.db2.gz LCANKZLECJTCGW-FVQBIDKESA-N 1 0 231.383 3.958 20 0 BHADRO CCC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000379767574 363895154 /nfs/dbraw/zinc/89/51/54/363895154.db2.gz LCANKZLECJTCGW-NUEKZKHPSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000379767575 363895703 /nfs/dbraw/zinc/89/57/03/363895703.db2.gz LCANKZLECJTCGW-VNQPRFMTSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc2ccccc2o1 ZINC000379770177 364826554 /nfs/dbraw/zinc/82/65/54/364826554.db2.gz QDWOXNMIEKHMIV-GMXVVIOVSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc2ccccc2o1 ZINC000379770178 364826037 /nfs/dbraw/zinc/82/60/37/364826037.db2.gz QDWOXNMIEKHMIV-GVXVVHGQSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc2ccccc2o1 ZINC000379770179 364826416 /nfs/dbraw/zinc/82/64/16/364826416.db2.gz QDWOXNMIEKHMIV-MDZLAQPJSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc2ccccc2o1 ZINC000379770180 364826280 /nfs/dbraw/zinc/82/62/80/364826280.db2.gz QDWOXNMIEKHMIV-NTZNESFSSA-N 1 0 229.323 3.882 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000379771177 364935574 /nfs/dbraw/zinc/93/55/74/364935574.db2.gz QSOBWOPYIBYHSS-GFCCVEGCSA-N 1 0 239.309 3.902 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000379771180 364934977 /nfs/dbraw/zinc/93/49/77/364934977.db2.gz QSOBWOPYIBYHSS-LBPRGKRZSA-N 1 0 239.309 3.902 20 0 BHADRO C1=C(C[NH2+][C@H]2CCOC3(CCCC3)C2)CCCC1 ZINC000379774007 712398190 /nfs/dbraw/zinc/39/81/90/712398190.db2.gz SRKKERNTLFWOBV-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO C1=C(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CCCC1 ZINC000379774008 712398185 /nfs/dbraw/zinc/39/81/85/712398185.db2.gz SRKKERNTLFWOBV-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000379775052 365175447 /nfs/dbraw/zinc/17/54/47/365175447.db2.gz AOJMLHYDONXKAU-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000379775053 365175286 /nfs/dbraw/zinc/17/52/86/365175286.db2.gz AOJMLHYDONXKAU-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1Cl ZINC000379777751 712399124 /nfs/dbraw/zinc/39/91/24/712399124.db2.gz ATFLXEKEDGWSRR-BREBYQMCSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000379777753 712399099 /nfs/dbraw/zinc/39/90/99/712399099.db2.gz ATFLXEKEDGWSRR-CWSCBRNRSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1Cl ZINC000379777754 712398747 /nfs/dbraw/zinc/39/87/47/712398747.db2.gz ATFLXEKEDGWSRR-GIPNMCIBSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000379777757 712398735 /nfs/dbraw/zinc/39/87/35/712398735.db2.gz ATFLXEKEDGWSRR-OPQQBVKSSA-N 1 0 223.747 3.789 20 0 BHADRO CCSCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000379781124 365258174 /nfs/dbraw/zinc/25/81/74/365258174.db2.gz CHGKEVYFBBWJLQ-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000379781125 365258417 /nfs/dbraw/zinc/25/84/17/365258417.db2.gz CHGKEVYFBBWJLQ-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000379781127 365258124 /nfs/dbraw/zinc/25/81/24/365258124.db2.gz CHGKEVYFBBWJLQ-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000379781130 365258127 /nfs/dbraw/zinc/25/81/27/365258127.db2.gz CHGKEVYFBBWJLQ-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCCF)s1 ZINC000379781662 712399125 /nfs/dbraw/zinc/39/91/25/712399125.db2.gz MVDYWPBPBJVHAL-LLVKDONJSA-N 1 0 229.364 3.847 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCCF)s1 ZINC000379781673 712398995 /nfs/dbraw/zinc/39/89/95/712398995.db2.gz MVDYWPBPBJVHAL-NSHDSACASA-N 1 0 229.364 3.847 20 0 BHADRO CC(C)C(C[NH2+][C@@H]1CC=CCC1)C(C)C ZINC000379782027 365258848 /nfs/dbraw/zinc/25/88/48/365258848.db2.gz NJRIRMXFSQSLSG-CYBMUJFWSA-N 1 0 209.377 3.613 20 0 BHADRO CC(C)C(C[NH2+][C@H]1CC=CCC1)C(C)C ZINC000379782032 365258550 /nfs/dbraw/zinc/25/85/50/365258550.db2.gz NJRIRMXFSQSLSG-ZDUSSCGKSA-N 1 0 209.377 3.613 20 0 BHADRO CCc1ccccc1C[NH2+]Cc1csc(C)c1 ZINC000379783777 365265357 /nfs/dbraw/zinc/26/53/57/365265357.db2.gz YFQZPWQYRTVIJX-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccs1 ZINC000379784054 365268264 /nfs/dbraw/zinc/26/82/64/365268264.db2.gz DNWUODUEWLPMKQ-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1cccs1 ZINC000379784062 365267696 /nfs/dbraw/zinc/26/76/96/365267696.db2.gz DNWUODUEWLPMKQ-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccs1 ZINC000379784064 365267238 /nfs/dbraw/zinc/26/72/38/365267238.db2.gz DNWUODUEWLPMKQ-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccs1 ZINC000379784072 365267374 /nfs/dbraw/zinc/26/73/74/365267374.db2.gz DNWUODUEWLPMKQ-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO CCSCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000379787927 365270583 /nfs/dbraw/zinc/27/05/83/365270583.db2.gz COTYKLYFFXTIPT-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000379787931 365270552 /nfs/dbraw/zinc/27/05/52/365270552.db2.gz COTYKLYFFXTIPT-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379788732 365271746 /nfs/dbraw/zinc/27/17/46/365271746.db2.gz DNJXVRFXNAQBME-AAEUAGOBSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379788734 365271712 /nfs/dbraw/zinc/27/17/12/365271712.db2.gz DNJXVRFXNAQBME-DGCLKSJQSA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379788736 365272201 /nfs/dbraw/zinc/27/22/01/365272201.db2.gz DNJXVRFXNAQBME-WCQYABFASA-N 1 0 229.433 3.542 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379788737 365272239 /nfs/dbraw/zinc/27/22/39/365272239.db2.gz DNJXVRFXNAQBME-YPMHNXCESA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C(C[NH2+]C(C)(C)C1CC1)C(C)C ZINC000379791459 365271903 /nfs/dbraw/zinc/27/19/03/365271903.db2.gz GCIQDDDWQYTFEX-UHFFFAOYSA-N 1 0 211.393 3.693 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000379793018 365273681 /nfs/dbraw/zinc/27/36/81/365273681.db2.gz HGQNUZNOTKBATE-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000379793020 365273720 /nfs/dbraw/zinc/27/37/20/365273720.db2.gz HGQNUZNOTKBATE-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000379793022 365272666 /nfs/dbraw/zinc/27/26/66/365272666.db2.gz HGQNUZNOTKBATE-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000379793024 365273728 /nfs/dbraw/zinc/27/37/28/365273728.db2.gz HGQNUZNOTKBATE-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC000379798971 538459187 /nfs/dbraw/zinc/45/91/87/538459187.db2.gz MJQCPATWOSHILK-AWEZNQCLSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC000379798972 538459174 /nfs/dbraw/zinc/45/91/74/538459174.db2.gz MJQCPATWOSHILK-CQSZACIVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)SCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000379803106 365274745 /nfs/dbraw/zinc/27/47/45/365274745.db2.gz LBOFCNKLBPZTJW-ITGUQSILSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000379803120 365274939 /nfs/dbraw/zinc/27/49/39/365274939.db2.gz LBOFCNKLBPZTJW-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000379803123 365274591 /nfs/dbraw/zinc/27/45/91/365274591.db2.gz LBOFCNKLBPZTJW-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC1(C)CC1)C1CC1 ZINC000379805106 365274631 /nfs/dbraw/zinc/27/46/31/365274631.db2.gz UPONWSVQFNZCPN-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC1(C)CC1)C1CC1 ZINC000379805107 365275056 /nfs/dbraw/zinc/27/50/56/365275056.db2.gz UPONWSVQFNZCPN-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO CSCCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000379808101 365276878 /nfs/dbraw/zinc/27/68/78/365276878.db2.gz XSJFFKGQSMZNNL-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000379808103 365276959 /nfs/dbraw/zinc/27/69/59/365276959.db2.gz XSJFFKGQSMZNNL-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO CC(C)SCC[NH2+]C(C)(C)CC(C)(C)C ZINC000379808829 365276451 /nfs/dbraw/zinc/27/64/51/365276451.db2.gz NJYVUTQGOLZACF-UHFFFAOYSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cccc(F)c1F ZINC000379809403 365277720 /nfs/dbraw/zinc/27/77/20/365277720.db2.gz OVPPJHIVAAWUCV-UHFFFAOYSA-N 1 0 241.325 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379809699 365278020 /nfs/dbraw/zinc/27/80/20/365278020.db2.gz ZCPWLKOBYNVALO-AWEZNQCLSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379809700 365278395 /nfs/dbraw/zinc/27/83/95/365278395.db2.gz ZCPWLKOBYNVALO-CQSZACIVSA-N 1 0 209.377 3.757 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1ccccc1 ZINC000379812856 365278227 /nfs/dbraw/zinc/27/82/27/365278227.db2.gz AYWMLWPKMPECAI-UHFFFAOYSA-N 1 0 205.345 3.702 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)C1CCCCCC1 ZINC000379813834 365277708 /nfs/dbraw/zinc/27/77/08/365277708.db2.gz PNCVZRQZKNFFGK-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)C1CCCCCC1 ZINC000379813838 365277738 /nfs/dbraw/zinc/27/77/38/365277738.db2.gz PNCVZRQZKNFFGK-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCF)CC1 ZINC000379817731 365280485 /nfs/dbraw/zinc/28/04/85/365280485.db2.gz RFZGICGHHFUEHO-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCF)CC1 ZINC000379817732 365279498 /nfs/dbraw/zinc/27/94/98/365279498.db2.gz RFZGICGHHFUEHO-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCF)CC1 ZINC000379817733 365279176 /nfs/dbraw/zinc/27/91/76/365279176.db2.gz RFZGICGHHFUEHO-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCF)CC1 ZINC000379817734 365280504 /nfs/dbraw/zinc/28/05/04/365280504.db2.gz RFZGICGHHFUEHO-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000379825870 365283354 /nfs/dbraw/zinc/28/33/54/365283354.db2.gz WGWKIVKAIRVQSG-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000379825871 365283258 /nfs/dbraw/zinc/28/32/58/365283258.db2.gz WGWKIVKAIRVQSG-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+]CCC1=CCCC1)C(C)(C)C ZINC000379826803 538460989 /nfs/dbraw/zinc/46/09/89/538460989.db2.gz WVWYZJNLHNBFOL-GFCCVEGCSA-N 1 0 209.377 3.759 20 0 BHADRO C[C@@H](C[NH2+]CCC1=CCCC1)C(C)(C)C ZINC000379826806 538980733 /nfs/dbraw/zinc/98/07/33/538980733.db2.gz WVWYZJNLHNBFOL-LBPRGKRZSA-N 1 0 209.377 3.759 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC2(C)C)c(C)s1 ZINC000379829904 365285061 /nfs/dbraw/zinc/28/50/61/365285061.db2.gz ZPQYHELYAQJTRN-GFCCVEGCSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC2(C)C)c(C)s1 ZINC000379829905 365285301 /nfs/dbraw/zinc/28/53/01/365285301.db2.gz ZPQYHELYAQJTRN-LBPRGKRZSA-N 1 0 223.385 3.643 20 0 BHADRO CCCC(CCC)[NH2+]CC1(CC)CCOCC1 ZINC000379831881 365287269 /nfs/dbraw/zinc/28/72/69/365287269.db2.gz XWCOUBJHXQRAQQ-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1C ZINC000379832319 538980958 /nfs/dbraw/zinc/98/09/58/538980958.db2.gz BVUGAQXWIVOFSH-CYBMUJFWSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1C ZINC000379832321 538981069 /nfs/dbraw/zinc/98/10/69/538981069.db2.gz BVUGAQXWIVOFSH-ZDUSSCGKSA-N 1 0 239.309 3.581 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000379833474 365291118 /nfs/dbraw/zinc/29/11/18/365291118.db2.gz ZAMHXJQROVRZTH-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000379833476 365290672 /nfs/dbraw/zinc/29/06/72/365290672.db2.gz ZAMHXJQROVRZTH-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCS[C@H]2C)c2ccccc21 ZINC000379838285 538981238 /nfs/dbraw/zinc/98/12/38/538981238.db2.gz FTZDAZHEDJLLEY-BVIHXZOGSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCS[C@@H]2C)c2ccccc21 ZINC000379838295 538981171 /nfs/dbraw/zinc/98/11/71/538981171.db2.gz FTZDAZHEDJLLEY-FIXIBIHLSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCS[C@@H]2C)c2ccccc21 ZINC000379838299 538981110 /nfs/dbraw/zinc/98/11/10/538981110.db2.gz FTZDAZHEDJLLEY-FKGLVLAHSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCS[C@H]2C)c2ccccc21 ZINC000379838644 538980743 /nfs/dbraw/zinc/98/07/43/538980743.db2.gz FTZDAZHEDJLLEY-PKIAMQTDSA-N 1 0 247.407 3.719 20 0 BHADRO CCSCC[NH2+]C1CCC(C(C)C)CC1 ZINC000379844422 365313977 /nfs/dbraw/zinc/31/39/77/365313977.db2.gz DROQQTIPFWMEAL-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000379845341 712616561 /nfs/dbraw/zinc/61/65/61/712616561.db2.gz HSXPSNJQQLVBAX-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000379845344 712616454 /nfs/dbraw/zinc/61/64/54/712616454.db2.gz HSXPSNJQQLVBAX-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](C[NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000379856518 712617279 /nfs/dbraw/zinc/61/72/79/712617279.db2.gz CFDHRTVEBDSYMD-LLVKDONJSA-N 1 0 231.449 3.790 20 0 BHADRO C[C@@H](C[NH2+]CCSC(C)(C)C)C(C)(C)C ZINC000379856526 712617323 /nfs/dbraw/zinc/61/73/23/712617323.db2.gz CFDHRTVEBDSYMD-NSHDSACASA-N 1 0 231.449 3.790 20 0 BHADRO CCOC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC000379857624 365321993 /nfs/dbraw/zinc/32/19/93/365321993.db2.gz NBSJWMACUOBVRT-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000379858544 365322894 /nfs/dbraw/zinc/32/28/94/365322894.db2.gz NIFXHGLBSLXBKN-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000379858546 365323313 /nfs/dbraw/zinc/32/33/13/365323313.db2.gz NIFXHGLBSLXBKN-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2)cs1 ZINC000379862380 365329255 /nfs/dbraw/zinc/32/92/55/365329255.db2.gz KVAWSLNXKGAHEM-GFCCVEGCSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2)cs1 ZINC000379862383 365330608 /nfs/dbraw/zinc/33/06/08/365330608.db2.gz KVAWSLNXKGAHEM-LBPRGKRZSA-N 1 0 245.391 3.950 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)OC ZINC000379870760 365330637 /nfs/dbraw/zinc/33/06/37/365330637.db2.gz XMGZFQRYDCKMLM-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCCC12CCCC2)OC ZINC000379870762 365330191 /nfs/dbraw/zinc/33/01/91/365330191.db2.gz XMGZFQRYDCKMLM-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)OC ZINC000379870764 365330451 /nfs/dbraw/zinc/33/04/51/365330451.db2.gz XMGZFQRYDCKMLM-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)OC ZINC000379870766 365330915 /nfs/dbraw/zinc/33/09/15/365330915.db2.gz XMGZFQRYDCKMLM-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000379876451 365335064 /nfs/dbraw/zinc/33/50/64/365335064.db2.gz ALHOXFWNDNMOAV-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000379876452 365335221 /nfs/dbraw/zinc/33/52/21/365335221.db2.gz ALHOXFWNDNMOAV-IJLUTSLNSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000379876453 365334852 /nfs/dbraw/zinc/33/48/52/365334852.db2.gz ALHOXFWNDNMOAV-UTUOFQBUSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000379876454 365335077 /nfs/dbraw/zinc/33/50/77/365335077.db2.gz ALHOXFWNDNMOAV-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000379877793 365335309 /nfs/dbraw/zinc/33/53/09/365335309.db2.gz AZAJKRIPFOOTJZ-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC1(C)CC1 ZINC000379877794 365335193 /nfs/dbraw/zinc/33/51/93/365335193.db2.gz AZAJKRIPFOOTJZ-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CSC1(C[NH2+]CCCCC(C)C)CCC1 ZINC000379878212 712619968 /nfs/dbraw/zinc/61/99/68/712619968.db2.gz UNTLLQGQNWLTKA-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC1CCC([NH2+]C[C@H](OC)C(C)C)CC1 ZINC000379878591 365335084 /nfs/dbraw/zinc/33/50/84/365335084.db2.gz AGXCNIPGPWIOON-NRXISQOPSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H](OC)C(C)C)CC1 ZINC000379878801 365335052 /nfs/dbraw/zinc/33/50/52/365335052.db2.gz AGXCNIPGPWIOON-YMAMQOFZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(C[NH2+]CC2CCCCC2)cs1 ZINC000379887026 365336112 /nfs/dbraw/zinc/33/61/12/365336112.db2.gz YMEDERPNEXKFDE-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCCCF)C2CC2)cc1 ZINC000379887916 365336122 /nfs/dbraw/zinc/33/61/22/365336122.db2.gz DWPAMUFKPJZIDY-HNNXBMFYSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCCCF)C2CC2)cc1 ZINC000379887917 365336501 /nfs/dbraw/zinc/33/65/01/365336501.db2.gz DWPAMUFKPJZIDY-OAHLLOKOSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)c1ccsc1 ZINC000379889893 398175513 /nfs/dbraw/zinc/17/55/13/398175513.db2.gz ZVJUDLAFLIGVTE-SECBINFHSA-N 1 0 237.393 3.969 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)c1ccsc1 ZINC000379889896 398175160 /nfs/dbraw/zinc/17/51/60/398175160.db2.gz ZVJUDLAFLIGVTE-VIFPVBQESA-N 1 0 237.393 3.969 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CCCCF)c1 ZINC000379891632 365338083 /nfs/dbraw/zinc/33/80/83/365338083.db2.gz GCRDSKKFKJEDRA-AWEZNQCLSA-N 1 0 237.362 3.655 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CCCCF)c1 ZINC000379891637 365338565 /nfs/dbraw/zinc/33/85/65/365338565.db2.gz GCRDSKKFKJEDRA-CQSZACIVSA-N 1 0 237.362 3.655 20 0 BHADRO Cc1sccc1C[NH2+]CC1CCCCC1 ZINC000379898140 365406908 /nfs/dbraw/zinc/40/69/08/365406908.db2.gz CLDMYLHXHKWXAI-UHFFFAOYSA-N 1 0 223.385 3.726 20 0 BHADRO Cc1sccc1C[NH2+]C1CCCCCC1 ZINC000379900809 365438634 /nfs/dbraw/zinc/43/86/34/365438634.db2.gz FNIKCSLIKLKQSC-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379902971 365475222 /nfs/dbraw/zinc/47/52/22/365475222.db2.gz GQDIUPPHPHTOTQ-PELKAZGASA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379902973 365474979 /nfs/dbraw/zinc/47/49/79/365474979.db2.gz GQDIUPPHPHTOTQ-PRHODGIISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379902974 365475004 /nfs/dbraw/zinc/47/50/04/365475004.db2.gz GQDIUPPHPHTOTQ-QPUJVOFHSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000379902975 365474642 /nfs/dbraw/zinc/47/46/42/365474642.db2.gz GQDIUPPHPHTOTQ-UFBFGSQYSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000379906148 365525198 /nfs/dbraw/zinc/52/51/98/365525198.db2.gz KEIZFXVWOFIBHS-GBIKHYSHSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000379906150 365524708 /nfs/dbraw/zinc/52/47/08/365524708.db2.gz KEIZFXVWOFIBHS-KWBADKCTSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000379906151 365524415 /nfs/dbraw/zinc/52/44/15/365524415.db2.gz KEIZFXVWOFIBHS-NRUUGDAUSA-N 1 0 223.747 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000379906152 365524623 /nfs/dbraw/zinc/52/46/23/365524623.db2.gz KEIZFXVWOFIBHS-OUJBWJOFSA-N 1 0 223.747 3.789 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC000379907015 365525938 /nfs/dbraw/zinc/52/59/38/365525938.db2.gz KNFDLVYECMMLTD-CHWSQXEVSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC000379907016 365525767 /nfs/dbraw/zinc/52/57/67/365525767.db2.gz KNFDLVYECMMLTD-OLZOCXBDSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC000379907017 365526303 /nfs/dbraw/zinc/52/63/03/365526303.db2.gz KNFDLVYECMMLTD-QWHCGFSZSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC000379907018 365526145 /nfs/dbraw/zinc/52/61/45/365526145.db2.gz KNFDLVYECMMLTD-STQMWFEESA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CC(C)(C)C1 ZINC000379912053 538981363 /nfs/dbraw/zinc/98/13/63/538981363.db2.gz MYSOIYGXTJOKCR-GRYCIOLGSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)CC(C)(C)C1 ZINC000379912054 538981482 /nfs/dbraw/zinc/98/14/82/538981482.db2.gz MYSOIYGXTJOKCR-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)CC(C)(C)C1 ZINC000379912056 538981383 /nfs/dbraw/zinc/98/13/83/538981383.db2.gz MYSOIYGXTJOKCR-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)CC(C)(C)C1 ZINC000379912057 538981654 /nfs/dbraw/zinc/98/16/54/538981654.db2.gz MYSOIYGXTJOKCR-WOPDTQHZSA-N 1 0 245.357 3.979 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000379914486 584883110 /nfs/dbraw/zinc/88/31/10/584883110.db2.gz AVXJQURZXDTULL-CFHLNLSMSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000379914487 584883138 /nfs/dbraw/zinc/88/31/38/584883138.db2.gz AVXJQURZXDTULL-GFUIURDCSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000379914488 584883032 /nfs/dbraw/zinc/88/30/32/584883032.db2.gz AVXJQURZXDTULL-SZZPACECSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000379914489 584883068 /nfs/dbraw/zinc/88/30/68/584883068.db2.gz AVXJQURZXDTULL-URWSZGRFSA-N 1 0 203.329 3.530 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000379914514 365670181 /nfs/dbraw/zinc/67/01/81/365670181.db2.gz AXFQPWVIOQRDKA-AVGNSLFASA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000379914516 365670630 /nfs/dbraw/zinc/67/06/30/365670630.db2.gz AXFQPWVIOQRDKA-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000379914517 365670189 /nfs/dbraw/zinc/67/01/89/365670189.db2.gz AXFQPWVIOQRDKA-XQQFMLRXSA-N 1 0 229.433 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000379914518 365670887 /nfs/dbraw/zinc/67/08/87/365670887.db2.gz AXFQPWVIOQRDKA-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(C)(C)C ZINC000379915522 365678726 /nfs/dbraw/zinc/67/87/26/365678726.db2.gz BUGQRHIBDGADHZ-AGIUHOORSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(C)(C)C ZINC000379915523 365678684 /nfs/dbraw/zinc/67/86/84/365678684.db2.gz BUGQRHIBDGADHZ-AVGNSLFASA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)(C)C ZINC000379915526 365679561 /nfs/dbraw/zinc/67/95/61/365679561.db2.gz BUGQRHIBDGADHZ-UPJWGTAASA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(C)(C)C ZINC000379915533 365678673 /nfs/dbraw/zinc/67/86/73/365678673.db2.gz BUGQRHIBDGADHZ-XQQFMLRXSA-N 1 0 209.377 3.589 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)C(C)(C)C)CCC1 ZINC000379915582 343653463 /nfs/dbraw/zinc/65/34/63/343653463.db2.gz PDAUCGFIFBEKRE-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)C(C)(C)C)CCC1 ZINC000379915583 343653490 /nfs/dbraw/zinc/65/34/90/343653490.db2.gz PDAUCGFIFBEKRE-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000379915787 365682154 /nfs/dbraw/zinc/68/21/54/365682154.db2.gz BZUNUWNAWCQEKV-UHFFFAOYSA-N 1 0 223.747 3.719 20 0 BHADRO COC1(CC[NH2+][C@H]2CCCCC[C@@H]2C)CCC1 ZINC000379916137 398174595 /nfs/dbraw/zinc/17/45/95/398174595.db2.gz OLPPUIPLMLVHCV-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@H]2CCCCC[C@H]2C)CCC1 ZINC000379916140 398174569 /nfs/dbraw/zinc/17/45/69/398174569.db2.gz OLPPUIPLMLVHCV-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@@H]2CCCCC[C@@H]2C)CCC1 ZINC000379916141 398174575 /nfs/dbraw/zinc/17/45/75/398174575.db2.gz OLPPUIPLMLVHCV-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@@H]2CCCCC[C@H]2C)CCC1 ZINC000379916143 398174337 /nfs/dbraw/zinc/17/43/37/398174337.db2.gz OLPPUIPLMLVHCV-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[NH2+][C@](C)(CC)c1nccs1 ZINC000379916184 365673714 /nfs/dbraw/zinc/67/37/14/365673714.db2.gz CJCUUEQGOHKYHT-GFCCVEGCSA-N 1 0 226.389 3.548 20 0 BHADRO CCCCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000379916187 365673328 /nfs/dbraw/zinc/67/33/28/365673328.db2.gz CJCUUEQGOHKYHT-LBPRGKRZSA-N 1 0 226.389 3.548 20 0 BHADRO CCc1ccc(C[NH2+]CCC2(C)CC2)s1 ZINC000379916985 365688072 /nfs/dbraw/zinc/68/80/72/365688072.db2.gz DDEIHGBMLVZKQF-UHFFFAOYSA-N 1 0 223.385 3.590 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000379922096 365737062 /nfs/dbraw/zinc/73/70/62/365737062.db2.gz ILPISYTXGRJLOH-CYDGBPFRSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000379922097 365737201 /nfs/dbraw/zinc/73/72/01/365737201.db2.gz ILPISYTXGRJLOH-RVMXOQNASA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000379922099 365737065 /nfs/dbraw/zinc/73/70/65/365737065.db2.gz ILPISYTXGRJLOH-WUHRBBMRSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000379922104 365736903 /nfs/dbraw/zinc/73/69/03/365736903.db2.gz ILPISYTXGRJLOH-ZDEQEGDKSA-N 1 0 215.356 3.681 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+]C1CCC1 ZINC000379923504 365751101 /nfs/dbraw/zinc/75/11/01/365751101.db2.gz JOBSZVYJVNJUKF-UHFFFAOYSA-N 1 0 223.747 3.545 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000379924757 365751604 /nfs/dbraw/zinc/75/16/04/365751604.db2.gz KKTHGOSGSUWDAJ-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000379924758 365751778 /nfs/dbraw/zinc/75/17/78/365751778.db2.gz KKTHGOSGSUWDAJ-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+][C@@H](C)CF)C1 ZINC000379929024 398242806 /nfs/dbraw/zinc/24/28/06/398242806.db2.gz NELDSTQUDRRQPR-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+][C@@H](C)CF)C1 ZINC000379929030 398242797 /nfs/dbraw/zinc/24/27/97/398242797.db2.gz NELDSTQUDRRQPR-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000379929966 538982420 /nfs/dbraw/zinc/98/24/20/538982420.db2.gz UHLCFXDJHIRIBI-AAEUAGOBSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000379929970 538982275 /nfs/dbraw/zinc/98/22/75/538982275.db2.gz UHLCFXDJHIRIBI-DGCLKSJQSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000379929971 538982290 /nfs/dbraw/zinc/98/22/90/538982290.db2.gz UHLCFXDJHIRIBI-WCQYABFASA-N 1 0 239.309 3.833 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000379929974 538982380 /nfs/dbraw/zinc/98/23/80/538982380.db2.gz UHLCFXDJHIRIBI-YPMHNXCESA-N 1 0 239.309 3.833 20 0 BHADRO C[C@H]([NH2+]CCCCF)C1CCCCCC1 ZINC000379930935 365743091 /nfs/dbraw/zinc/74/30/91/365743091.db2.gz WAKDJWJROSNXHF-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000379931316 365744557 /nfs/dbraw/zinc/74/45/57/365744557.db2.gz OOUYOBIUZKYXSE-UHFFFAOYSA-N 1 0 205.345 3.620 20 0 BHADRO CS[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC000379931608 365744212 /nfs/dbraw/zinc/74/42/12/365744212.db2.gz OWPHFMUANVZLFT-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC000379931610 365744168 /nfs/dbraw/zinc/74/41/68/365744168.db2.gz OWPHFMUANVZLFT-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000379933204 365744182 /nfs/dbraw/zinc/74/41/82/365744182.db2.gz PSWRAFYAAMABGJ-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000379933205 365744533 /nfs/dbraw/zinc/74/45/33/365744533.db2.gz PSWRAFYAAMABGJ-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000379933207 365744063 /nfs/dbraw/zinc/74/40/63/365744063.db2.gz PSWRAFYAAMABGJ-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000379933209 365744502 /nfs/dbraw/zinc/74/45/02/365744502.db2.gz PSWRAFYAAMABGJ-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000379938779 538982125 /nfs/dbraw/zinc/98/21/25/538982125.db2.gz WUCRUGQLDVYKEW-GFCCVEGCSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000379938781 538981878 /nfs/dbraw/zinc/98/18/78/538981878.db2.gz WUCRUGQLDVYKEW-LBPRGKRZSA-N 1 0 239.309 3.581 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000379942015 398243370 /nfs/dbraw/zinc/24/33/70/398243370.db2.gz XRFUDCHTOXJNIG-ABAIWWIYSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000379942016 398243496 /nfs/dbraw/zinc/24/34/96/398243496.db2.gz XRFUDCHTOXJNIG-IAQYHMDHSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000379942020 398243489 /nfs/dbraw/zinc/24/34/89/398243489.db2.gz XRFUDCHTOXJNIG-NHYWBVRUSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000379942021 398243335 /nfs/dbraw/zinc/24/33/35/398243335.db2.gz XRFUDCHTOXJNIG-XHDPSFHLSA-N 1 0 247.407 3.548 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(F)ccc1OC ZINC000379943359 365755519 /nfs/dbraw/zinc/75/55/19/365755519.db2.gz YISLDIJPVKCNIT-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)CC(F)(F)F ZINC000379944666 365755628 /nfs/dbraw/zinc/75/56/28/365755628.db2.gz QFMMYDMXKKGPIC-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)CC(F)(F)F ZINC000379944675 365756004 /nfs/dbraw/zinc/75/60/04/365756004.db2.gz QFMMYDMXKKGPIC-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1Cl ZINC000379945209 365757258 /nfs/dbraw/zinc/75/72/58/365757258.db2.gz IWCNVWTWHGYDLX-GWCFXTLKSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1Cl ZINC000379945210 365757204 /nfs/dbraw/zinc/75/72/04/365757204.db2.gz IWCNVWTWHGYDLX-GXFFZTMASA-N 1 0 223.747 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1Cl ZINC000379945211 365757711 /nfs/dbraw/zinc/75/77/11/365757711.db2.gz IWCNVWTWHGYDLX-MFKMUULPSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1Cl ZINC000379945212 365756870 /nfs/dbraw/zinc/75/68/70/365756870.db2.gz IWCNVWTWHGYDLX-ZWNOBZJWSA-N 1 0 223.747 3.537 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000379945574 365756787 /nfs/dbraw/zinc/75/67/87/365756787.db2.gz QPKSRDYVRGROHF-GFCCVEGCSA-N 1 0 211.393 3.837 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000379945577 365757356 /nfs/dbraw/zinc/75/73/56/365757356.db2.gz QPKSRDYVRGROHF-LBPRGKRZSA-N 1 0 211.393 3.837 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]CCC(C)(C)C ZINC000379946488 365756888 /nfs/dbraw/zinc/75/68/88/365756888.db2.gz QYZORUVTVIZXFT-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]CCC(C)(C)C ZINC000379946490 365757696 /nfs/dbraw/zinc/75/76/96/365757696.db2.gz QYZORUVTVIZXFT-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CCSCCC[NH2+][C@H](C)CC1CCCC1 ZINC000379947141 365756802 /nfs/dbraw/zinc/75/68/02/365756802.db2.gz RIKPKMWRFAHUCR-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CC1CCCC1 ZINC000379947142 365756806 /nfs/dbraw/zinc/75/68/06/365756806.db2.gz RIKPKMWRFAHUCR-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@H](F)C1 ZINC000379948981 365760376 /nfs/dbraw/zinc/76/03/76/365760376.db2.gz SFARQXFLRSNZNE-CYDGBPFRSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000379948984 365760372 /nfs/dbraw/zinc/76/03/72/365760372.db2.gz SFARQXFLRSNZNE-QNWHQSFQSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000379948987 365760476 /nfs/dbraw/zinc/76/04/76/365760476.db2.gz SFARQXFLRSNZNE-RNJOBUHISA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000379948998 365760457 /nfs/dbraw/zinc/76/04/57/365760457.db2.gz SFARQXFLRSNZNE-ZDEQEGDKSA-N 1 0 215.356 3.681 20 0 BHADRO c1cc(CC[NH2+]C(C2CCC2)C2CCC2)cs1 ZINC000379951483 365761912 /nfs/dbraw/zinc/76/19/12/365761912.db2.gz JENIDRMBQYJZNF-UHFFFAOYSA-N 1 0 249.423 3.849 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC(F)(F)F ZINC000379951587 538982769 /nfs/dbraw/zinc/98/27/69/538982769.db2.gz TVYRCTIVKIBWAX-UHFFFAOYSA-N 1 0 225.298 3.745 20 0 BHADRO CCc1ccc(C[NH2+]CCC=C(C)C)s1 ZINC000379952474 541459906 /nfs/dbraw/zinc/45/99/06/541459906.db2.gz UFNGVYFWCGVCPK-UHFFFAOYSA-N 1 0 223.385 3.756 20 0 BHADRO CCCCCC[NH2+]C1CCC2(CC2)CC1 ZINC000379952611 712636167 /nfs/dbraw/zinc/63/61/67/712636167.db2.gz UICZJESVNQDEDD-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CCC(CC)[NH2+]C1CCC(C(F)F)CC1 ZINC000379957138 365762891 /nfs/dbraw/zinc/76/28/91/365762891.db2.gz VSRYIOKVQPVOKT-UHFFFAOYSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000379957905 365762616 /nfs/dbraw/zinc/76/26/16/365762616.db2.gz KFQPUUMXONKEPE-UHFFFAOYSA-N 1 0 241.325 3.879 20 0 BHADRO CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000379958370 365764460 /nfs/dbraw/zinc/76/44/60/365764460.db2.gz WFQPDPRJQAQYCX-UHFFFAOYSA-N 1 0 237.290 3.657 20 0 BHADRO C1=CO[C@H](C[NH2+]CC2CCCCCCC2)CC1 ZINC000379961045 712636769 /nfs/dbraw/zinc/63/67/69/712636769.db2.gz BWLYTAZLISBYLW-HNNXBMFYSA-N 1 0 237.387 3.629 20 0 BHADRO C1=CO[C@@H](C[NH2+]CC2CCCCCCC2)CC1 ZINC000379961056 712636965 /nfs/dbraw/zinc/63/69/65/712636965.db2.gz BWLYTAZLISBYLW-OAHLLOKOSA-N 1 0 237.387 3.629 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCSC(C)C)C1 ZINC000379963767 365767644 /nfs/dbraw/zinc/76/76/44/365767644.db2.gz NLHUUYGTHAEAMK-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCSC(C)C)C1 ZINC000379963768 365767073 /nfs/dbraw/zinc/76/70/73/365767073.db2.gz NLHUUYGTHAEAMK-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCSC(C)C)C1 ZINC000379963769 365767586 /nfs/dbraw/zinc/76/75/86/365767586.db2.gz NLHUUYGTHAEAMK-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCSC(C)C)C1 ZINC000379963771 365767913 /nfs/dbraw/zinc/76/79/13/365767913.db2.gz NLHUUYGTHAEAMK-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(F)c1 ZINC000379964860 712637106 /nfs/dbraw/zinc/63/71/06/712637106.db2.gz FXEALCDRMCKHLJ-CABCVRRESA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(F)c1 ZINC000379964864 712637004 /nfs/dbraw/zinc/63/70/04/712637004.db2.gz FXEALCDRMCKHLJ-GJZGRUSLSA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(F)c1 ZINC000379964867 712637090 /nfs/dbraw/zinc/63/70/90/712637090.db2.gz FXEALCDRMCKHLJ-HUUCEWRRSA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(F)c1 ZINC000379964870 712637099 /nfs/dbraw/zinc/63/70/99/712637099.db2.gz FXEALCDRMCKHLJ-LSDHHAIUSA-N 1 0 249.329 3.559 20 0 BHADRO CCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000379965622 365767513 /nfs/dbraw/zinc/76/75/13/365767513.db2.gz YSKZWTXKDBQEPQ-UHFFFAOYSA-N 1 0 244.165 3.982 20 0 BHADRO FC(F)(F)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000379966103 365769083 /nfs/dbraw/zinc/76/90/83/365769083.db2.gz LTJKYWBZNKPCON-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000379968252 365783352 /nfs/dbraw/zinc/78/33/52/365783352.db2.gz ZXKWSEPGUQLUSQ-SECBINFHSA-N 1 0 246.181 3.924 20 0 BHADRO CC[C@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000379968256 365783515 /nfs/dbraw/zinc/78/35/15/365783515.db2.gz ZXKWSEPGUQLUSQ-VIFPVBQESA-N 1 0 246.181 3.924 20 0 BHADRO CCSCCC[NH2+][C@H](C)CCC=C(C)C ZINC000379968318 365782907 /nfs/dbraw/zinc/78/29/07/365782907.db2.gz ZYRHZWKBVNGSQH-CYBMUJFWSA-N 1 0 229.433 3.854 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000379968321 365783503 /nfs/dbraw/zinc/78/35/03/365783503.db2.gz ZYRHZWKBVNGSQH-ZDUSSCGKSA-N 1 0 229.433 3.854 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]C/C=C\Cl)c1 ZINC000379968411 712640947 /nfs/dbraw/zinc/64/09/47/712640947.db2.gz AAQNDQYOTGWNPE-YVMONPNESA-N 1 0 223.747 3.572 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000379968428 365783058 /nfs/dbraw/zinc/78/30/58/365783058.db2.gz AAZBKDLOSFFYMU-QJPTWQEYSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000379968434 365783536 /nfs/dbraw/zinc/78/35/36/365783536.db2.gz AAZBKDLOSFFYMU-SDDRHHMPSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000379968440 365783481 /nfs/dbraw/zinc/78/34/81/365783481.db2.gz AAZBKDLOSFFYMU-SRVKXCTJSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000379968442 365783314 /nfs/dbraw/zinc/78/33/14/365783314.db2.gz AAZBKDLOSFFYMU-TUAOUCFPSA-N 1 0 231.449 3.788 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000379969868 365782983 /nfs/dbraw/zinc/78/29/83/365782983.db2.gz AVDYXSKGHXCZNI-NXEZZACHSA-N 1 0 243.441 3.994 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000379969898 365783510 /nfs/dbraw/zinc/78/35/10/365783510.db2.gz AVDYXSKGHXCZNI-UWVGGRQHSA-N 1 0 243.441 3.994 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000379969901 365785192 /nfs/dbraw/zinc/78/51/92/365785192.db2.gz AVDYXSKGHXCZNI-VHSXEESVSA-N 1 0 243.441 3.994 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000379969904 365784912 /nfs/dbraw/zinc/78/49/12/365784912.db2.gz AVDYXSKGHXCZNI-ZJUUUORDSA-N 1 0 243.441 3.994 20 0 BHADRO CCCC[C@@H]([NH2+]CCCCF)C1CCC1 ZINC000379970293 365784744 /nfs/dbraw/zinc/78/47/44/365784744.db2.gz AXNMUDSHMMBLPQ-CYBMUJFWSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@H]([NH2+]CCCCF)C1CCC1 ZINC000379970299 365784736 /nfs/dbraw/zinc/78/47/36/365784736.db2.gz AXNMUDSHMMBLPQ-ZDUSSCGKSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccco1 ZINC000379972461 365768913 /nfs/dbraw/zinc/76/89/13/365768913.db2.gz BUBAIQMCEIAFRC-NEPJUHHUSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccco1 ZINC000379972463 365769065 /nfs/dbraw/zinc/76/90/65/365769065.db2.gz BUBAIQMCEIAFRC-NWDGAFQWSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccco1 ZINC000379972464 365769181 /nfs/dbraw/zinc/76/91/81/365769181.db2.gz BUBAIQMCEIAFRC-RYUDHWBXSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccco1 ZINC000379972465 365769223 /nfs/dbraw/zinc/76/92/23/365769223.db2.gz BUBAIQMCEIAFRC-VXGBXAGGSA-N 1 0 209.333 3.584 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@@H]1SC ZINC000379972617 365769154 /nfs/dbraw/zinc/76/91/54/365769154.db2.gz BXBBRMKWKZXIGC-AVGNSLFASA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@H]1SC ZINC000379972620 365769355 /nfs/dbraw/zinc/76/93/55/365769355.db2.gz BXBBRMKWKZXIGC-RWMBFGLXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]1SC ZINC000379972627 365769267 /nfs/dbraw/zinc/76/92/67/365769267.db2.gz BXBBRMKWKZXIGC-XQQFMLRXSA-N 1 0 229.433 3.829 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]1SC ZINC000379972629 365769312 /nfs/dbraw/zinc/76/93/12/365769312.db2.gz BXBBRMKWKZXIGC-YNEHKIRRSA-N 1 0 229.433 3.829 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000379973468 365770472 /nfs/dbraw/zinc/77/04/72/365770472.db2.gz CITOIPVTGGDTIC-NSHDSACASA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000379975672 365772714 /nfs/dbraw/zinc/77/27/14/365772714.db2.gz DDQPNGVRYSAJQE-AAEUAGOBSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000379975677 365772058 /nfs/dbraw/zinc/77/20/58/365772058.db2.gz DDQPNGVRYSAJQE-DGCLKSJQSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000379975680 365771801 /nfs/dbraw/zinc/77/18/01/365771801.db2.gz DDQPNGVRYSAJQE-WCQYABFASA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000379975682 365772069 /nfs/dbraw/zinc/77/20/69/365772069.db2.gz DDQPNGVRYSAJQE-YPMHNXCESA-N 1 0 223.747 3.618 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C(C)C)s1 ZINC000379976550 365772412 /nfs/dbraw/zinc/77/24/12/365772412.db2.gz DTYPWJNTBCLWMV-UHFFFAOYSA-N 1 0 225.401 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1 ZINC000379976721 712643353 /nfs/dbraw/zinc/64/33/53/712643353.db2.gz RTQQSRGJAFJJKR-CABCVRRESA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1 ZINC000379976726 712643387 /nfs/dbraw/zinc/64/33/87/712643387.db2.gz RTQQSRGJAFJJKR-GJZGRUSLSA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1 ZINC000379976732 712643403 /nfs/dbraw/zinc/64/34/03/712643403.db2.gz RTQQSRGJAFJJKR-HUUCEWRRSA-N 1 0 249.329 3.559 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1 ZINC000379976735 712643340 /nfs/dbraw/zinc/64/33/40/712643340.db2.gz RTQQSRGJAFJJKR-LSDHHAIUSA-N 1 0 249.329 3.559 20 0 BHADRO CCC1CC([NH2+]CCc2ccc(Cl)s2)C1 ZINC000379976872 365772266 /nfs/dbraw/zinc/77/22/66/365772266.db2.gz DWHGQBZLRUHRKF-UHFFFAOYSA-N 1 0 243.803 3.722 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000379976970 365772027 /nfs/dbraw/zinc/77/20/27/365772027.db2.gz FARWXTOIPYSFAW-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO C1=CO[C@H](C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000379977935 712643557 /nfs/dbraw/zinc/64/35/57/712643557.db2.gz TYBXDDDCFPAUGQ-HNNXBMFYSA-N 1 0 249.398 3.772 20 0 BHADRO C1=CO[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000379977936 712643667 /nfs/dbraw/zinc/64/36/67/712643667.db2.gz TYBXDDDCFPAUGQ-OAHLLOKOSA-N 1 0 249.398 3.772 20 0 BHADRO Clc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000379982927 365779428 /nfs/dbraw/zinc/77/94/28/365779428.db2.gz IKQFYMRBGKDWRH-ONGXEEELSA-N 1 0 241.787 3.537 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000379986948 712644132 /nfs/dbraw/zinc/64/41/32/712644132.db2.gz MCBOUVDKTWMUON-HNNXBMFYSA-N 1 0 239.403 3.730 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000379986949 712644257 /nfs/dbraw/zinc/64/42/57/712644257.db2.gz MCBOUVDKTWMUON-OAHLLOKOSA-N 1 0 239.403 3.730 20 0 BHADRO CSCC[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000379992631 712645115 /nfs/dbraw/zinc/64/51/15/712645115.db2.gz YNRMDZBOZAVVIH-GFCCVEGCSA-N 1 0 231.449 3.646 20 0 BHADRO CSCC[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000379992637 712645136 /nfs/dbraw/zinc/64/51/36/712645136.db2.gz YNRMDZBOZAVVIH-LBPRGKRZSA-N 1 0 231.449 3.646 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000379995761 365786297 /nfs/dbraw/zinc/78/62/97/365786297.db2.gz JFACWUBHPSJBCH-AVGNSLFASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000379995762 365786628 /nfs/dbraw/zinc/78/66/28/365786628.db2.gz JFACWUBHPSJBCH-RWMBFGLXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000379995763 365786569 /nfs/dbraw/zinc/78/65/69/365786569.db2.gz JFACWUBHPSJBCH-XQQFMLRXSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000379995765 365786447 /nfs/dbraw/zinc/78/64/47/365786447.db2.gz JFACWUBHPSJBCH-YNEHKIRRSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+]CCSC(C)C)CC1 ZINC000379996011 365788025 /nfs/dbraw/zinc/78/80/25/365788025.db2.gz IJBSPCGKVBXOEN-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO Clc1sccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000379996498 365788009 /nfs/dbraw/zinc/78/80/09/365788009.db2.gz JTKCWJPEKPYZBB-QWRGUYRKSA-N 1 0 241.787 3.537 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000379998398 365789719 /nfs/dbraw/zinc/78/97/19/365789719.db2.gz LBDWDXMDSLHQBT-IGQOVBAYSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000379998400 397940012 /nfs/dbraw/zinc/94/00/12/397940012.db2.gz LBDWDXMDSLHQBT-REWJHTLYSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000379998401 365789344 /nfs/dbraw/zinc/78/93/44/365789344.db2.gz LBDWDXMDSLHQBT-RFQIPJPRSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000379998403 365789009 /nfs/dbraw/zinc/78/90/09/365789009.db2.gz LBDWDXMDSLHQBT-XDQVBPFNSA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000380001266 365792600 /nfs/dbraw/zinc/79/26/00/365792600.db2.gz MXKWGZFVQRTPAM-BFHYXJOUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000380001273 365791979 /nfs/dbraw/zinc/79/19/79/365791979.db2.gz MXKWGZFVQRTPAM-IHRRRGAJSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000380001274 365792182 /nfs/dbraw/zinc/79/21/82/365792182.db2.gz MXKWGZFVQRTPAM-MELADBBJSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000380001277 365791990 /nfs/dbraw/zinc/79/19/90/365791990.db2.gz MXKWGZFVQRTPAM-MJBXVCDLSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000380001362 365792249 /nfs/dbraw/zinc/79/22/49/365792249.db2.gz MYRDRIWSJAGAPI-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000380001366 365792582 /nfs/dbraw/zinc/79/25/82/365792582.db2.gz MYRDRIWSJAGAPI-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000380001371 365792385 /nfs/dbraw/zinc/79/23/85/365792385.db2.gz MYRDRIWSJAGAPI-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000380001372 365792372 /nfs/dbraw/zinc/79/23/72/365792372.db2.gz MYRDRIWSJAGAPI-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000380002148 365795320 /nfs/dbraw/zinc/79/53/20/365795320.db2.gz NPKPGVFSMXZNOP-CHWSQXEVSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000380002406 365794687 /nfs/dbraw/zinc/79/46/87/365794687.db2.gz NPKPGVFSMXZNOP-OLZOCXBDSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000380002407 365794900 /nfs/dbraw/zinc/79/49/00/365794900.db2.gz NPKPGVFSMXZNOP-QWHCGFSZSA-N 1 0 229.433 3.831 20 0 BHADRO CCCCC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000380002408 365794693 /nfs/dbraw/zinc/79/46/93/365794693.db2.gz NPKPGVFSMXZNOP-STQMWFEESA-N 1 0 229.433 3.831 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000380002881 398180663 /nfs/dbraw/zinc/18/06/63/398180663.db2.gz NWWBQJBBPJCBJX-JXQTWKCFSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CC2CCC1CC2 ZINC000380002883 398180704 /nfs/dbraw/zinc/18/07/04/398180704.db2.gz NWWBQJBBPJCBJX-RUXDESIVSA-N 1 0 209.377 3.591 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000380004241 712651846 /nfs/dbraw/zinc/65/18/46/712651846.db2.gz OMXYLCYCLMNRCR-CHWSQXEVSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000380004245 712651916 /nfs/dbraw/zinc/65/19/16/712651916.db2.gz OMXYLCYCLMNRCR-OLZOCXBDSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000380004252 712651901 /nfs/dbraw/zinc/65/19/01/712651901.db2.gz OMXYLCYCLMNRCR-QWHCGFSZSA-N 1 0 209.377 3.878 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000380004261 712651851 /nfs/dbraw/zinc/65/18/51/712651851.db2.gz OMXYLCYCLMNRCR-STQMWFEESA-N 1 0 209.377 3.878 20 0 BHADRO COc1cccc(C[NH2+]C(C)(C)C(C)(C)C)c1 ZINC000380004916 365795088 /nfs/dbraw/zinc/79/50/88/365795088.db2.gz YZXWRJGZNGZNLI-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccoc1C ZINC000380005577 712669708 /nfs/dbraw/zinc/66/97/08/712669708.db2.gz PBRGRKRMOIGVOX-LLVKDONJSA-N 1 0 209.333 3.646 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccoc1C ZINC000380005587 712669626 /nfs/dbraw/zinc/66/96/26/712669626.db2.gz PBRGRKRMOIGVOX-NSHDSACASA-N 1 0 209.333 3.646 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCCSC ZINC000380006462 365796786 /nfs/dbraw/zinc/79/67/86/365796786.db2.gz PHYVUOBCBJRKIL-CHWSQXEVSA-N 1 0 231.449 3.934 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCCSC ZINC000380006474 365796234 /nfs/dbraw/zinc/79/62/34/365796234.db2.gz PHYVUOBCBJRKIL-OLZOCXBDSA-N 1 0 231.449 3.934 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCCSC ZINC000380006488 365796217 /nfs/dbraw/zinc/79/62/17/365796217.db2.gz PHYVUOBCBJRKIL-QWHCGFSZSA-N 1 0 231.449 3.934 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCCSC ZINC000380006499 342906998 /nfs/dbraw/zinc/90/69/98/342906998.db2.gz PHYVUOBCBJRKIL-STQMWFEESA-N 1 0 231.449 3.934 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1C ZINC000380007198 712669693 /nfs/dbraw/zinc/66/96/93/712669693.db2.gz DNVHTDXSEDMECN-GDBMZVCRSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1C ZINC000380007201 712669752 /nfs/dbraw/zinc/66/97/52/712669752.db2.gz DNVHTDXSEDMECN-GOEBONIOSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1C ZINC000380007203 712669706 /nfs/dbraw/zinc/66/97/06/712669706.db2.gz DNVHTDXSEDMECN-HOCLYGCPSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1C ZINC000380007204 712669594 /nfs/dbraw/zinc/66/95/94/712669594.db2.gz DNVHTDXSEDMECN-ZBFHGGJFSA-N 1 0 245.366 3.647 20 0 BHADRO Cc1sccc1C[NH2+]CCc1ccccc1C ZINC000380007454 365796195 /nfs/dbraw/zinc/79/61/95/365796195.db2.gz ZQZUULPIWOBYQV-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000380008901 712669674 /nfs/dbraw/zinc/66/96/74/712669674.db2.gz ACFCNNJCJQCWJT-HUBLWGQQSA-N 1 0 249.423 3.966 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000380008905 712669685 /nfs/dbraw/zinc/66/96/85/712669685.db2.gz ACFCNNJCJQCWJT-SLEUVZQESA-N 1 0 249.423 3.966 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000380008908 712669751 /nfs/dbraw/zinc/66/97/51/712669751.db2.gz ACFCNNJCJQCWJT-TYNCELHUSA-N 1 0 249.423 3.966 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000380008911 712669603 /nfs/dbraw/zinc/66/96/03/712669603.db2.gz ACFCNNJCJQCWJT-XUJVJEKNSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CCCCC1(C)C ZINC000380014566 365806585 /nfs/dbraw/zinc/80/65/85/365806585.db2.gz MUGAIAOYROUTCY-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CCCCC1(C)C ZINC000380014567 365806411 /nfs/dbraw/zinc/80/64/11/365806411.db2.gz MUGAIAOYROUTCY-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000380017315 365808039 /nfs/dbraw/zinc/80/80/39/365808039.db2.gz UQHGEXOOGHJEMP-CMPLNLGQSA-N 1 0 227.348 3.537 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000380017317 365808139 /nfs/dbraw/zinc/80/81/39/365808139.db2.gz UQHGEXOOGHJEMP-JQWIXIFHSA-N 1 0 227.348 3.537 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000380017319 365808192 /nfs/dbraw/zinc/80/81/92/365808192.db2.gz UQHGEXOOGHJEMP-PWSUYJOCSA-N 1 0 227.348 3.537 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000380017320 365808135 /nfs/dbraw/zinc/80/81/35/365808135.db2.gz UQHGEXOOGHJEMP-ZYHUDNBSSA-N 1 0 227.348 3.537 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C2CC=CC2)C1 ZINC000380017535 538983752 /nfs/dbraw/zinc/98/37/52/538983752.db2.gz NMNRDPJKQPSPMA-GFCCVEGCSA-N 1 0 207.361 3.511 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C2CC=CC2)C1 ZINC000380017538 538983654 /nfs/dbraw/zinc/98/36/54/538983654.db2.gz NMNRDPJKQPSPMA-LBPRGKRZSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000380018171 365810880 /nfs/dbraw/zinc/81/08/80/365810880.db2.gz VDXMMKQEXFAESA-DYEKYZERSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000380018175 365810967 /nfs/dbraw/zinc/81/09/67/365810967.db2.gz VDXMMKQEXFAESA-MBNYWOFBSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000380018178 365810997 /nfs/dbraw/zinc/81/09/97/365810997.db2.gz VDXMMKQEXFAESA-OBJOEFQTSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000380018184 365810568 /nfs/dbraw/zinc/81/05/68/365810568.db2.gz VDXMMKQEXFAESA-SGMGOOAPSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)sc1C)C1CC1 ZINC000380018953 538983886 /nfs/dbraw/zinc/98/38/86/538983886.db2.gz VLJVOZVSRCCSKL-CYBMUJFWSA-N 1 0 223.385 3.643 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)sc1C)C1CC1 ZINC000380018954 538983539 /nfs/dbraw/zinc/98/35/39/538983539.db2.gz VLJVOZVSRCCSKL-ZDUSSCGKSA-N 1 0 223.385 3.643 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C1CC(C(C)C)C1 ZINC000380019575 365810831 /nfs/dbraw/zinc/81/08/31/365810831.db2.gz VSWVFLXMKIUOGF-ABXWRUBCSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(C)C)C1 ZINC000380019579 365811055 /nfs/dbraw/zinc/81/10/55/365811055.db2.gz VSWVFLXMKIUOGF-BLYZHGLHSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C1CC(C(C)C)C1 ZINC000380019587 365811077 /nfs/dbraw/zinc/81/10/77/365811077.db2.gz VSWVFLXMKIUOGF-GFJIZPEISA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(C)C)C1 ZINC000380019589 365811068 /nfs/dbraw/zinc/81/10/68/365811068.db2.gz VSWVFLXMKIUOGF-RYSNWHEDSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(C)c1 ZINC000380021011 712672122 /nfs/dbraw/zinc/67/21/22/712672122.db2.gz PJEJVBMRZYIHOM-CVEARBPZSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(C)c1 ZINC000380021012 712672111 /nfs/dbraw/zinc/67/21/11/712672111.db2.gz PJEJVBMRZYIHOM-HOTGVXAUSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(C)c1 ZINC000380021013 712672113 /nfs/dbraw/zinc/67/21/13/712672113.db2.gz PJEJVBMRZYIHOM-HZPDHXFCSA-N 1 0 245.366 3.728 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(C)c1 ZINC000380021015 712672112 /nfs/dbraw/zinc/67/21/12/712672112.db2.gz PJEJVBMRZYIHOM-JKSUJKDBSA-N 1 0 245.366 3.728 20 0 BHADRO FCCCC[NH2+]CCCC1CCCCC1 ZINC000380021601 342945559 /nfs/dbraw/zinc/94/55/59/342945559.db2.gz WPYIYVBMVRXTMJ-UHFFFAOYSA-N 1 0 215.356 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccsc1 ZINC000380023308 712672568 /nfs/dbraw/zinc/67/25/68/712672568.db2.gz OQBKDOXFVLWHEL-BIMULSAOSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccsc1 ZINC000380023309 712672551 /nfs/dbraw/zinc/67/25/51/712672551.db2.gz OQBKDOXFVLWHEL-TVYUQYBPSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccsc1 ZINC000380023310 712672546 /nfs/dbraw/zinc/67/25/46/712672546.db2.gz OQBKDOXFVLWHEL-XDTLVQLUSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccsc1 ZINC000380023311 712672552 /nfs/dbraw/zinc/67/25/52/712672552.db2.gz OQBKDOXFVLWHEL-ZWKOPEQDSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc21 ZINC000380025356 712673172 /nfs/dbraw/zinc/67/31/72/712673172.db2.gz UGSQWSFGLJNMIH-DVOMOZLQSA-N 1 0 243.350 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc21 ZINC000380025357 712673173 /nfs/dbraw/zinc/67/31/73/712673173.db2.gz UGSQWSFGLJNMIH-IOASZLSFSA-N 1 0 243.350 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc21 ZINC000380025358 712673175 /nfs/dbraw/zinc/67/31/75/712673175.db2.gz UGSQWSFGLJNMIH-WWGRRREGSA-N 1 0 243.350 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc21 ZINC000380025362 712672986 /nfs/dbraw/zinc/67/29/86/712672986.db2.gz UGSQWSFGLJNMIH-XJKCOSOUSA-N 1 0 243.350 3.517 20 0 BHADRO CC[C@@H]([NH2+]CCCSCC(C)C)C(C)C ZINC000380025950 365813429 /nfs/dbraw/zinc/81/34/29/365813429.db2.gz YNKYKAVSSTZSJD-CYBMUJFWSA-N 1 0 231.449 3.790 20 0 BHADRO CC[C@H]([NH2+]CCCSCC(C)C)C(C)C ZINC000380025951 365813836 /nfs/dbraw/zinc/81/38/36/365813836.db2.gz YNKYKAVSSTZSJD-ZDUSSCGKSA-N 1 0 231.449 3.790 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000380029172 365814474 /nfs/dbraw/zinc/81/44/74/365814474.db2.gz PSWHRQCQARDBQU-CMPLNLGQSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000380029174 365814556 /nfs/dbraw/zinc/81/45/56/365814556.db2.gz PSWHRQCQARDBQU-JQWIXIFHSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000380029181 365815007 /nfs/dbraw/zinc/81/50/07/365815007.db2.gz PSWHRQCQARDBQU-PWSUYJOCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000380029183 365814915 /nfs/dbraw/zinc/81/49/15/365814915.db2.gz PSWHRQCQARDBQU-ZYHUDNBSSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000380033438 488168309 /nfs/dbraw/zinc/16/83/09/488168309.db2.gz HAXMLIDLCZNKMO-OCVGTWLNSA-N 1 0 229.367 3.834 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C1CCC1 ZINC000380040581 365824232 /nfs/dbraw/zinc/82/42/32/365824232.db2.gz UGDGBEILUTVUIN-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C1CCC1 ZINC000380040583 365823817 /nfs/dbraw/zinc/82/38/17/365823817.db2.gz UGDGBEILUTVUIN-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000380043153 365823862 /nfs/dbraw/zinc/82/38/62/365823862.db2.gz SMUWIRWLXAZGMX-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000380043154 365824139 /nfs/dbraw/zinc/82/41/39/365824139.db2.gz SMUWIRWLXAZGMX-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000380044590 365824943 /nfs/dbraw/zinc/82/49/43/365824943.db2.gz VKXHPLSNQUVYST-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000380044594 365825260 /nfs/dbraw/zinc/82/52/60/365825260.db2.gz VKXHPLSNQUVYST-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccccn1 ZINC000380060829 365835767 /nfs/dbraw/zinc/83/57/67/365835767.db2.gz YDMMUAZMXBGUNU-GFCCVEGCSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccccn1 ZINC000380060832 365834954 /nfs/dbraw/zinc/83/49/54/365834954.db2.gz YDMMUAZMXBGUNU-LBPRGKRZSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CCCCCC1 ZINC000380064310 365837446 /nfs/dbraw/zinc/83/74/46/365837446.db2.gz BQSRIHRDLAAQMY-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CCCCCC1 ZINC000380064316 365837240 /nfs/dbraw/zinc/83/72/40/365837240.db2.gz BQSRIHRDLAAQMY-MBNYWOFBSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000380064663 343063158 /nfs/dbraw/zinc/06/31/58/343063158.db2.gz BRWINJQNCOKGSP-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000380064664 365836654 /nfs/dbraw/zinc/83/66/54/365836654.db2.gz BRWINJQNCOKGSP-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000380064980 365837524 /nfs/dbraw/zinc/83/75/24/365837524.db2.gz BUSCLIUFROWBIO-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCC(F)(F)C1 ZINC000380064983 365837251 /nfs/dbraw/zinc/83/72/51/365837251.db2.gz BUSCLIUFROWBIO-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCCCF)CC1 ZINC000380066142 365838479 /nfs/dbraw/zinc/83/84/79/365838479.db2.gz CAIHJPDZTKTVAH-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCCCF)CC1 ZINC000380066146 365838329 /nfs/dbraw/zinc/83/83/29/365838329.db2.gz CAIHJPDZTKTVAH-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000380067236 365839409 /nfs/dbraw/zinc/83/94/09/365839409.db2.gz CHIHNOLKLKPSGN-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1ccsc1CC[NH2+]CCCC(C)C ZINC000380068755 365848457 /nfs/dbraw/zinc/84/84/57/365848457.db2.gz CPIMXFRLPCEIGX-UHFFFAOYSA-N 1 0 225.401 3.625 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccsc1 ZINC000380071739 538984073 /nfs/dbraw/zinc/98/40/73/538984073.db2.gz DLEYRQABHKJEMG-UHFFFAOYSA-N 1 0 237.290 3.569 20 0 BHADRO Clc1cscc1C[NH2+]C12CCC(CC1)C2 ZINC000380074707 712684758 /nfs/dbraw/zinc/68/47/58/712684758.db2.gz OXVYNLAWNYUGSM-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075620 538984787 /nfs/dbraw/zinc/98/47/87/538984787.db2.gz FFXOYFOKXADWEM-PSASIEDQSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075621 538984761 /nfs/dbraw/zinc/98/47/61/538984761.db2.gz FFXOYFOKXADWEM-SCZZXKLOSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075623 538984881 /nfs/dbraw/zinc/98/48/81/538984881.db2.gz FFXOYFOKXADWEM-WCBMZHEXSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075628 538984663 /nfs/dbraw/zinc/98/46/63/538984663.db2.gz FFXOYFOKXADWEM-WPRPVWTQSA-N 1 0 231.311 3.587 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000380075711 538984549 /nfs/dbraw/zinc/98/45/49/538984549.db2.gz CXYHSUHVRCQZSJ-CHWSQXEVSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000380075712 538984861 /nfs/dbraw/zinc/98/48/61/538984861.db2.gz CXYHSUHVRCQZSJ-OLZOCXBDSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000380075714 538984955 /nfs/dbraw/zinc/98/49/55/538984955.db2.gz CXYHSUHVRCQZSJ-QWHCGFSZSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000380075716 538984515 /nfs/dbraw/zinc/98/45/15/538984515.db2.gz CXYHSUHVRCQZSJ-STQMWFEESA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000380077084 488171314 /nfs/dbraw/zinc/17/13/14/488171314.db2.gz FQFBKOODISHDFQ-IGQOVBAYSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000380077087 488171396 /nfs/dbraw/zinc/17/13/96/488171396.db2.gz FQFBKOODISHDFQ-MQYQWHSLSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000380077174 365853840 /nfs/dbraw/zinc/85/38/40/365853840.db2.gz FRGOECQOVDYZBC-GFCCVEGCSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000380077176 365854275 /nfs/dbraw/zinc/85/42/75/365854275.db2.gz FRGOECQOVDYZBC-LBPRGKRZSA-N 1 0 215.356 3.683 20 0 BHADRO CCC(C)(C)C[NH2+]C1CCC2(CC2)CC1 ZINC000380077179 365853959 /nfs/dbraw/zinc/85/39/59/365853959.db2.gz FRJBPQHWBHOXMP-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CC1CCC1 ZINC000380080233 538984918 /nfs/dbraw/zinc/98/49/18/538984918.db2.gz GGRIPJKLSMNNEV-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CCC1CC1 ZINC000380080239 538984911 /nfs/dbraw/zinc/98/49/11/538984911.db2.gz GGRIPJKLSMNNEV-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)CC1CCC1 ZINC000380080240 538984996 /nfs/dbraw/zinc/98/49/96/538984996.db2.gz GGRIPJKLSMNNEV-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)CC1CCC1 ZINC000380080242 538984754 /nfs/dbraw/zinc/98/47/54/538984754.db2.gz GGRIPJKLSMNNEV-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CCC([NH2+]CC2(OC)CCCC2)CC1 ZINC000380081486 365867543 /nfs/dbraw/zinc/86/75/43/365867543.db2.gz DWFXHUADWJSQED-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000380081495 365867146 /nfs/dbraw/zinc/86/71/46/365867146.db2.gz GNCKOASTRKRRPD-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000380081507 365866865 /nfs/dbraw/zinc/86/68/65/365866865.db2.gz GNCKOASTRKRRPD-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000380081514 365867281 /nfs/dbraw/zinc/86/72/81/365867281.db2.gz GNCKOASTRKRRPD-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000380081518 365867522 /nfs/dbraw/zinc/86/75/22/365867522.db2.gz GNCKOASTRKRRPD-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000380083727 365867185 /nfs/dbraw/zinc/86/71/85/365867185.db2.gz GXZFPYXOMPOKBM-GXTWGEPZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000380083735 365867001 /nfs/dbraw/zinc/86/70/01/365867001.db2.gz GXZFPYXOMPOKBM-JSGCOSHPSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000380083744 365866816 /nfs/dbraw/zinc/86/68/16/365866816.db2.gz GXZFPYXOMPOKBM-OCCSQVGLSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000380083753 365866806 /nfs/dbraw/zinc/86/68/06/365866806.db2.gz GXZFPYXOMPOKBM-TZMCWYRMSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1ccsc1 ZINC000380084852 365867010 /nfs/dbraw/zinc/86/70/10/365867010.db2.gz HGYFPLOFQABSIQ-GFCCVEGCSA-N 1 0 223.385 3.625 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1ccsc1 ZINC000380084854 365866739 /nfs/dbraw/zinc/86/67/39/365866739.db2.gz HGYFPLOFQABSIQ-LBPRGKRZSA-N 1 0 223.385 3.625 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000380086034 538984896 /nfs/dbraw/zinc/98/48/96/538984896.db2.gz FQSOYICUGUISCG-AAEUAGOBSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000380086035 538984694 /nfs/dbraw/zinc/98/46/94/538984694.db2.gz FQSOYICUGUISCG-DGCLKSJQSA-N 1 0 239.309 3.833 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000380086038 538985051 /nfs/dbraw/zinc/98/50/51/538985051.db2.gz FQSOYICUGUISCG-WCQYABFASA-N 1 0 239.309 3.833 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000380086040 538984683 /nfs/dbraw/zinc/98/46/83/538984683.db2.gz FQSOYICUGUISCG-YPMHNXCESA-N 1 0 239.309 3.833 20 0 BHADRO Cc1cc2ncn(CCCCCF)c2cc1C ZINC000380088211 365874277 /nfs/dbraw/zinc/87/42/77/365874277.db2.gz UGZOAOVBBFZFLJ-UHFFFAOYSA-N 1 0 234.318 3.793 20 0 BHADRO C[C@@H](CF)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000380088986 365874557 /nfs/dbraw/zinc/87/45/57/365874557.db2.gz IJQZUTUWYUITKQ-UNXYVOJBSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CF)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000380088987 365873701 /nfs/dbraw/zinc/87/37/01/365873701.db2.gz IJQZUTUWYUITKQ-VOMCLLRMSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC(C)C)cs1 ZINC000380089787 365863777 /nfs/dbraw/zinc/86/37/77/365863777.db2.gz MSTPDQXEABXKCF-LLVKDONJSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000380089789 365863478 /nfs/dbraw/zinc/86/34/78/365863478.db2.gz MSTPDQXEABXKCF-NSHDSACASA-N 1 0 225.401 3.971 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1cccc(O)c1)C(C)C ZINC000380091519 488174592 /nfs/dbraw/zinc/17/45/92/488174592.db2.gz UXNXBGGMFDXUFN-GFCCVEGCSA-N 1 0 235.371 3.723 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1cccc(O)c1)C(C)C ZINC000380091520 488174564 /nfs/dbraw/zinc/17/45/64/488174564.db2.gz UXNXBGGMFDXUFN-LBPRGKRZSA-N 1 0 235.371 3.723 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C/C=C\Cl)c1C ZINC000380093862 712685512 /nfs/dbraw/zinc/68/55/12/712685512.db2.gz JRNUGGHVAFGDDQ-JECSTDCCSA-N 1 0 223.747 3.707 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C/C=C\Cl)c1C ZINC000380093872 712685593 /nfs/dbraw/zinc/68/55/93/712685593.db2.gz JRNUGGHVAFGDDQ-VVEJJEBESA-N 1 0 223.747 3.707 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000380094733 712685722 /nfs/dbraw/zinc/68/57/22/712685722.db2.gz JYQSWFPDIKKDJL-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000380094735 712685694 /nfs/dbraw/zinc/68/56/94/712685694.db2.gz JYQSWFPDIKKDJL-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000380094738 712685490 /nfs/dbraw/zinc/68/54/90/712685490.db2.gz JYQSWFPDIKKDJL-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000380094743 712685461 /nfs/dbraw/zinc/68/54/61/712685461.db2.gz JYQSWFPDIKKDJL-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2cscc2Cl)C1 ZINC000380096006 538985135 /nfs/dbraw/zinc/98/51/35/538985135.db2.gz KHHCMLZDAQKERA-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)(C)C)s1 ZINC000380096791 365878134 /nfs/dbraw/zinc/87/81/34/365878134.db2.gz ONFWHPCVGZPGOU-UHFFFAOYSA-N 1 0 225.401 3.971 20 0 BHADRO CC(C)CC1(C[NH2+]CC2(C)CC2)CCC1 ZINC000380097759 365878041 /nfs/dbraw/zinc/87/80/41/365878041.db2.gz KUHITBRUPYDHHT-UHFFFAOYSA-N 1 0 209.377 3.593 20 0 BHADRO CC(C)CC1(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000380098785 365879742 /nfs/dbraw/zinc/87/97/42/365879742.db2.gz LAOKWDOSKMTNPG-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC1(C)C ZINC000380100751 365880609 /nfs/dbraw/zinc/88/06/09/365880609.db2.gz LSWUSKXTSVFVJS-PSASIEDQSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000380100756 365881080 /nfs/dbraw/zinc/88/10/80/365881080.db2.gz LSWUSKXTSVFVJS-SCZZXKLOSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC1(C)C ZINC000380100764 365880842 /nfs/dbraw/zinc/88/08/42/365880842.db2.gz LSWUSKXTSVFVJS-WCBMZHEXSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000380100765 365880766 /nfs/dbraw/zinc/88/07/66/365880766.db2.gz LSWUSKXTSVFVJS-WPRPVWTQSA-N 1 0 243.803 3.926 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCS[C@H]2C)c(C)c1 ZINC000380103356 538985114 /nfs/dbraw/zinc/98/51/14/538985114.db2.gz JGYZBBQFLWEPMX-DZGCQCFKSA-N 1 0 249.423 3.595 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCS[C@@H]2C)c(C)c1 ZINC000380103361 538985101 /nfs/dbraw/zinc/98/51/01/538985101.db2.gz JGYZBBQFLWEPMX-HIFRSBDPSA-N 1 0 249.423 3.595 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCS[C@@H]2C)c(C)c1 ZINC000380103363 538985587 /nfs/dbraw/zinc/98/55/87/538985587.db2.gz JGYZBBQFLWEPMX-UKRRQHHQSA-N 1 0 249.423 3.595 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCS[C@H]2C)c(C)c1 ZINC000380103675 538985524 /nfs/dbraw/zinc/98/55/24/538985524.db2.gz JGYZBBQFLWEPMX-ZFWWWQNUSA-N 1 0 249.423 3.595 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCCC1)C1CC1 ZINC000380104202 365880857 /nfs/dbraw/zinc/88/08/57/365880857.db2.gz MRERVDUNYXZHDD-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCCC1)C1CC1 ZINC000380104205 365880449 /nfs/dbraw/zinc/88/04/49/365880449.db2.gz MRERVDUNYXZHDD-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)s1 ZINC000380105045 538985155 /nfs/dbraw/zinc/98/51/55/538985155.db2.gz MXJWSWRTDARQKQ-CHWSQXEVSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)s1 ZINC000380105047 538985132 /nfs/dbraw/zinc/98/51/32/538985132.db2.gz MXJWSWRTDARQKQ-OLZOCXBDSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)s1 ZINC000380105049 538985238 /nfs/dbraw/zinc/98/52/38/538985238.db2.gz MXJWSWRTDARQKQ-QWHCGFSZSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)s1 ZINC000380105051 538985593 /nfs/dbraw/zinc/98/55/93/538985593.db2.gz MXJWSWRTDARQKQ-STQMWFEESA-N 1 0 223.385 3.581 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000380105913 538985371 /nfs/dbraw/zinc/98/53/71/538985371.db2.gz NCRGKFPOMCZXPK-LLVKDONJSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000380105920 538985304 /nfs/dbraw/zinc/98/53/04/538985304.db2.gz NCRGKFPOMCZXPK-NSHDSACASA-N 1 0 219.319 3.733 20 0 BHADRO CSCCCCCC[NH2+]CC1(C)CCC1 ZINC000380107952 712687691 /nfs/dbraw/zinc/68/76/91/712687691.db2.gz RCVDCXUOWADWJT-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380108430 343099927 /nfs/dbraw/zinc/09/99/27/343099927.db2.gz NOBXIVWTYLWRLT-CHWSQXEVSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000380108432 365885504 /nfs/dbraw/zinc/88/55/04/365885504.db2.gz NOBXIVWTYLWRLT-OLZOCXBDSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380108435 365885131 /nfs/dbraw/zinc/88/51/31/365885131.db2.gz NOBXIVWTYLWRLT-QWHCGFSZSA-N 1 0 209.377 3.878 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000380108436 365885121 /nfs/dbraw/zinc/88/51/21/365885121.db2.gz NOBXIVWTYLWRLT-STQMWFEESA-N 1 0 209.377 3.878 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC1CCC1 ZINC000380109683 712687281 /nfs/dbraw/zinc/68/72/81/712687281.db2.gz NVKKYRFDFVYVLZ-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC1CCC1 ZINC000380109684 712687458 /nfs/dbraw/zinc/68/74/58/712687458.db2.gz NVKKYRFDFVYVLZ-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC1CCC1 ZINC000380109688 712687363 /nfs/dbraw/zinc/68/73/63/712687363.db2.gz NVKKYRFDFVYVLZ-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC1CCC1 ZINC000380109689 712687726 /nfs/dbraw/zinc/68/77/26/712687726.db2.gz NVKKYRFDFVYVLZ-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000380109862 365886014 /nfs/dbraw/zinc/88/60/14/365886014.db2.gz NXWIDLARQIKNTP-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000380109867 365885359 /nfs/dbraw/zinc/88/53/59/365885359.db2.gz NXWIDLARQIKNTP-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CC=CC1 ZINC000380110243 538985423 /nfs/dbraw/zinc/98/54/23/538985423.db2.gz NYVJZZSJLQCGIU-CHWSQXEVSA-N 1 0 209.377 3.755 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1CC=CC1 ZINC000380110245 538985565 /nfs/dbraw/zinc/98/55/65/538985565.db2.gz NYVJZZSJLQCGIU-OLZOCXBDSA-N 1 0 209.377 3.755 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CC=CC1 ZINC000380110246 538985357 /nfs/dbraw/zinc/98/53/57/538985357.db2.gz NYVJZZSJLQCGIU-QWHCGFSZSA-N 1 0 209.377 3.755 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CC=CC1 ZINC000380110247 538985358 /nfs/dbraw/zinc/98/53/58/538985358.db2.gz NYVJZZSJLQCGIU-STQMWFEESA-N 1 0 209.377 3.755 20 0 BHADRO CC1CC([NH2+]CCC2=CCCCCC2)C1 ZINC000380110946 365886482 /nfs/dbraw/zinc/88/64/82/365886482.db2.gz OENAENGXEPWJHR-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)CCC2CC2)C1 ZINC000380113015 365889282 /nfs/dbraw/zinc/88/92/82/365889282.db2.gz ORINORRJBRJQCJ-LMWSTFAQSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)CCC2CC2)C1 ZINC000380113028 365889089 /nfs/dbraw/zinc/88/90/89/365889089.db2.gz ORINORRJBRJQCJ-XGNXJENSSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CCC1(C)C ZINC000380113214 365889315 /nfs/dbraw/zinc/88/93/15/365889315.db2.gz OTQKCTPBAGBYBL-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CCC1(C)C ZINC000380113230 365889537 /nfs/dbraw/zinc/88/95/37/365889537.db2.gz OTQKCTPBAGBYBL-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000380114098 365889462 /nfs/dbraw/zinc/88/94/62/365889462.db2.gz SSAHYLXTGUOEFR-GRYCIOLGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000380114099 365889333 /nfs/dbraw/zinc/88/93/33/365889333.db2.gz SSAHYLXTGUOEFR-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000380114101 365889064 /nfs/dbraw/zinc/88/90/64/365889064.db2.gz SSAHYLXTGUOEFR-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000380114106 365889099 /nfs/dbraw/zinc/88/90/99/365889099.db2.gz SSAHYLXTGUOEFR-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000380115738 365896299 /nfs/dbraw/zinc/89/62/99/365896299.db2.gz PKRQDXYTYNCXMC-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000380115746 365896648 /nfs/dbraw/zinc/89/66/48/365896648.db2.gz PKRQDXYTYNCXMC-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)([NH2+][C@@H]1CCCC(C)(C)C1)C(F)F ZINC000380118183 538985606 /nfs/dbraw/zinc/98/56/06/538985606.db2.gz PUZSHKXTVRWCNH-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)([NH2+][C@H]1CCCC(C)(C)C1)C(F)F ZINC000380118186 538985488 /nfs/dbraw/zinc/98/54/88/538985488.db2.gz PUZSHKXTVRWCNH-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)C[NH2+]C1CCC(F)(F)CC1 ZINC000380118808 538673148 /nfs/dbraw/zinc/67/31/48/538673148.db2.gz PXVTVKOWJODXOR-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000380121838 712688051 /nfs/dbraw/zinc/68/80/51/712688051.db2.gz QQLSASJMHBUTLM-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000380121841 712688480 /nfs/dbraw/zinc/68/84/80/712688480.db2.gz QQLSASJMHBUTLM-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380121842 712688390 /nfs/dbraw/zinc/68/83/90/712688390.db2.gz QQLSASJMHBUTLM-UTUOFQBUSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380121844 712688215 /nfs/dbraw/zinc/68/82/15/712688215.db2.gz QQLSASJMHBUTLM-WOPDTQHZSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)C1CCCCC1 ZINC000380124689 365890624 /nfs/dbraw/zinc/89/06/24/365890624.db2.gz RKKMCPPFNXETCL-GFCCVEGCSA-N 1 0 211.393 3.839 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)C1CCCCC1 ZINC000380124696 365890963 /nfs/dbraw/zinc/89/09/63/365890963.db2.gz RKKMCPPFNXETCL-LBPRGKRZSA-N 1 0 211.393 3.839 20 0 BHADRO CC(C)C(C)(C)[NH2+]CCC1CCCCC1 ZINC000380125418 343681925 /nfs/dbraw/zinc/68/19/25/343681925.db2.gz RRJBWJBEMXMJCR-UHFFFAOYSA-N 1 0 211.393 3.981 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000380129703 343681710 /nfs/dbraw/zinc/68/17/10/343681710.db2.gz SOKLPLLTIKBRTE-CYBMUJFWSA-N 1 0 209.377 3.757 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000380129704 343682013 /nfs/dbraw/zinc/68/20/13/343682013.db2.gz SOKLPLLTIKBRTE-ZDUSSCGKSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000380130706 365904260 /nfs/dbraw/zinc/90/42/60/365904260.db2.gz STJSDDGIWGNDPW-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000380130796 365904073 /nfs/dbraw/zinc/90/40/73/365904073.db2.gz STJSDDGIWGNDPW-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000380130797 365904059 /nfs/dbraw/zinc/90/40/59/365904059.db2.gz STJSDDGIWGNDPW-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000380130802 365903975 /nfs/dbraw/zinc/90/39/75/365903975.db2.gz STJSDDGIWGNDPW-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1occc1C ZINC000380132730 365906127 /nfs/dbraw/zinc/90/61/27/365906127.db2.gz XATZLTNTKKFOOH-GFCCVEGCSA-N 1 0 209.333 3.646 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1occc1C ZINC000380132735 365905707 /nfs/dbraw/zinc/90/57/07/365905707.db2.gz XATZLTNTKKFOOH-LBPRGKRZSA-N 1 0 209.333 3.646 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000380138120 365913551 /nfs/dbraw/zinc/91/35/51/365913551.db2.gz UZYORIFOSMLYSZ-GRYCIOLGSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000380138125 365913308 /nfs/dbraw/zinc/91/33/08/365913308.db2.gz UZYORIFOSMLYSZ-IJLUTSLNSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000380138128 365913412 /nfs/dbraw/zinc/91/34/12/365913412.db2.gz UZYORIFOSMLYSZ-UTUOFQBUSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000380138135 365913742 /nfs/dbraw/zinc/91/37/42/365913742.db2.gz UZYORIFOSMLYSZ-WOPDTQHZSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CSC1)c1cccs1 ZINC000380138432 538985892 /nfs/dbraw/zinc/98/58/92/538985892.db2.gz VBPOPVPJPFNAJN-LLVKDONJSA-N 1 0 241.425 3.540 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CSC1)c1cccs1 ZINC000380138441 538985933 /nfs/dbraw/zinc/98/59/33/538985933.db2.gz VBPOPVPJPFNAJN-NSHDSACASA-N 1 0 241.425 3.540 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1CCCCC1 ZINC000380144579 365976215 /nfs/dbraw/zinc/97/62/15/365976215.db2.gz WNEOAAOSJYZFKM-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1CCCCC1 ZINC000380144583 365975786 /nfs/dbraw/zinc/97/57/86/365975786.db2.gz WNEOAAOSJYZFKM-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2sccc2Cl)C1 ZINC000380147267 343683627 /nfs/dbraw/zinc/68/36/27/343683627.db2.gz WZSMRBOFBQARTB-UHFFFAOYSA-N 1 0 243.803 3.927 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC1(C)C ZINC000380147913 712699742 /nfs/dbraw/zinc/69/97/42/712699742.db2.gz XCWBVMLVGXVSAB-GHMZBOCLSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC1(C)C ZINC000380147914 712699812 /nfs/dbraw/zinc/69/98/12/712699812.db2.gz XCWBVMLVGXVSAB-MNOVXSKESA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCC1(C)C ZINC000380147916 712699814 /nfs/dbraw/zinc/69/98/14/712699814.db2.gz XCWBVMLVGXVSAB-QWRGUYRKSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCC1(C)C ZINC000380147917 712699958 /nfs/dbraw/zinc/69/99/58/712699958.db2.gz XCWBVMLVGXVSAB-WDEREUQCSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C1CC(C)C1 ZINC000380148295 347316485 /nfs/dbraw/zinc/31/64/85/347316485.db2.gz AADYWXGAOADILZ-LXVYMNJGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C1CC(C)C1 ZINC000380148297 347316597 /nfs/dbraw/zinc/31/65/97/347316597.db2.gz AADYWXGAOADILZ-MBHSVXNSSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000380149174 344700560 /nfs/dbraw/zinc/70/05/60/344700560.db2.gz XIXLGZWYZCIGQX-HZSPNIEDSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000380149186 343506389 /nfs/dbraw/zinc/50/63/89/343506389.db2.gz XIXLGZWYZCIGQX-IHRRRGAJSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000380149197 343514334 /nfs/dbraw/zinc/51/43/34/343514334.db2.gz XIXLGZWYZCIGQX-MELADBBJSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380149200 343516768 /nfs/dbraw/zinc/51/67/68/343516768.db2.gz XIXLGZWYZCIGQX-RDBSUJKOSA-N 1 0 209.377 3.900 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C2(C)CC2)c(C)s1 ZINC000380149633 712700317 /nfs/dbraw/zinc/70/03/17/712700317.db2.gz XMMITRJOEMRQRT-LLVKDONJSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C2(C)CC2)c(C)s1 ZINC000380149650 712700297 /nfs/dbraw/zinc/70/02/97/712700297.db2.gz XMMITRJOEMRQRT-NSHDSACASA-N 1 0 223.385 3.643 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CC1CCCC1 ZINC000380150052 345041369 /nfs/dbraw/zinc/04/13/69/345041369.db2.gz XNWLQACFNYBBJW-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CC1CCCC1 ZINC000380150059 345270944 /nfs/dbraw/zinc/27/09/44/345270944.db2.gz XNWLQACFNYBBJW-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CCC(C)(C)CC[NH2+]C(C1CC1)C1CC1 ZINC000380151001 343684007 /nfs/dbraw/zinc/68/40/07/343684007.db2.gz XTVNRFCXHVWTNZ-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)C1CC1 ZINC000380151042 346502635 /nfs/dbraw/zinc/50/26/35/346502635.db2.gz XUBZHSPRODQMAS-LXVYMNJGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)C1CC1 ZINC000380151046 344701902 /nfs/dbraw/zinc/70/19/02/344701902.db2.gz XUBZHSPRODQMAS-MBHSVXNSSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C)CC([NH2+]CCc2ccc(Cl)s2)C1 ZINC000380151531 346516628 /nfs/dbraw/zinc/51/66/28/346516628.db2.gz AUEXIJIRKHYPJK-UHFFFAOYSA-N 1 0 243.803 3.722 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000380151648 346517540 /nfs/dbraw/zinc/51/75/40/346517540.db2.gz XWLOZRKSYQDORC-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000380151650 346517702 /nfs/dbraw/zinc/51/77/02/346517702.db2.gz XWLOZRKSYQDORC-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)C1(C)CC1 ZINC000380151912 712700480 /nfs/dbraw/zinc/70/04/80/712700480.db2.gz XZHORPPHDQDHQN-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)C1(C)CC1 ZINC000380151915 712700506 /nfs/dbraw/zinc/70/05/06/712700506.db2.gz XZHORPPHDQDHQN-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)C1(C)CC1 ZINC000380151920 712700488 /nfs/dbraw/zinc/70/04/88/712700488.db2.gz XZHORPPHDQDHQN-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)C1(C)CC1 ZINC000380152370 712700503 /nfs/dbraw/zinc/70/05/03/712700503.db2.gz XZHORPPHDQDHQN-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000380152793 346530391 /nfs/dbraw/zinc/53/03/91/346530391.db2.gz YDRKZXGQNHOGSV-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000380152797 346529877 /nfs/dbraw/zinc/52/98/77/346529877.db2.gz YDRKZXGQNHOGSV-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000380152803 346530327 /nfs/dbraw/zinc/53/03/27/346530327.db2.gz YDRKZXGQNHOGSV-MBNYWOFBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000380152807 346530427 /nfs/dbraw/zinc/53/04/27/346530427.db2.gz YDRKZXGQNHOGSV-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)([NH2+]CCC1CCCCC1)C(F)F ZINC000380153553 538986553 /nfs/dbraw/zinc/98/65/53/538986553.db2.gz YIJWYRQQBMDJMB-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C(C)(C)C)CS1 ZINC000380153825 343684321 /nfs/dbraw/zinc/68/43/21/343684321.db2.gz YKMXDSGDJFWYTC-UTUOFQBUSA-N 1 0 229.433 3.541 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C(C)(C)C)CS1 ZINC000380153827 343684047 /nfs/dbraw/zinc/68/40/47/343684047.db2.gz YKMXDSGDJFWYTC-WOPDTQHZSA-N 1 0 229.433 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)s1 ZINC000380153900 346539268 /nfs/dbraw/zinc/53/92/68/346539268.db2.gz YLJSTANWGBZPAU-JTQLQIEISA-N 1 0 221.369 3.650 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)s1 ZINC000380153908 346539383 /nfs/dbraw/zinc/53/93/83/346539383.db2.gz YLJSTANWGBZPAU-SNVBAGLBSA-N 1 0 221.369 3.650 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000380158267 350421872 /nfs/dbraw/zinc/42/18/72/350421872.db2.gz ZVACFRRVLZHQGG-NXEZZACHSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000380158268 350422146 /nfs/dbraw/zinc/42/21/46/350422146.db2.gz ZVACFRRVLZHQGG-UWVGGRQHSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000380158274 350421882 /nfs/dbraw/zinc/42/18/82/350421882.db2.gz ZVACFRRVLZHQGG-VHSXEESVSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000380158278 350421961 /nfs/dbraw/zinc/42/19/61/350421961.db2.gz ZVACFRRVLZHQGG-ZJUUUORDSA-N 1 0 241.425 3.601 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ncc(Cl)s1 ZINC000380158728 350617773 /nfs/dbraw/zinc/61/77/73/350617773.db2.gz ZZPMMYSCEWNBEQ-UHFFFAOYSA-N 1 0 246.807 3.712 20 0 BHADRO CC(C)([NH2+]CC1CCCCCC1)C(F)F ZINC000380158730 538986595 /nfs/dbraw/zinc/98/65/95/538986595.db2.gz ZZSWNERQQUYDMZ-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCSC(C)(C)C ZINC000380158910 712702156 /nfs/dbraw/zinc/70/21/56/712702156.db2.gz AZGBVHJAIXDWQJ-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCSC(C)(C)C ZINC000380158911 712702153 /nfs/dbraw/zinc/70/21/53/712702153.db2.gz AZGBVHJAIXDWQJ-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CCSCC[NH2+][C@@H](C)CC1CCCCC1 ZINC000380159208 343239422 /nfs/dbraw/zinc/23/94/22/343239422.db2.gz AEZRTCMHXOGEKC-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@H](C[NH2+]C1CC(C)(C)C1)C(C)(C)C ZINC000380159379 343271916 /nfs/dbraw/zinc/27/19/16/343271916.db2.gz BBOCVZWQWRDUSG-LLVKDONJSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+]C1CC(C)(C)C1)C(C)(C)C ZINC000380159381 343272005 /nfs/dbraw/zinc/27/20/05/343272005.db2.gz BBOCVZWQWRDUSG-NSHDSACASA-N 1 0 229.433 3.542 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)CC2CC2)s1 ZINC000380160245 345227970 /nfs/dbraw/zinc/22/79/70/345227970.db2.gz ANUMPBJOTIASKL-SECBINFHSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)CC2CC2)s1 ZINC000380160246 345227777 /nfs/dbraw/zinc/22/77/77/345227777.db2.gz ANUMPBJOTIASKL-VIFPVBQESA-N 1 0 241.425 3.748 20 0 BHADRO CCCC[C@H]([NH2+]C1CCCC1)C1CCC1 ZINC000380160870 346032866 /nfs/dbraw/zinc/03/28/66/346032866.db2.gz BILCHTXOUHHEHB-AWEZNQCLSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@@H]([NH2+]C1CCCC1)C1CCC1 ZINC000380160871 346033024 /nfs/dbraw/zinc/03/30/24/346033024.db2.gz BILCHTXOUHHEHB-CQSZACIVSA-N 1 0 209.377 3.878 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000380161368 346168089 /nfs/dbraw/zinc/16/80/89/346168089.db2.gz BKQBYRCZZLKCPJ-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000380161369 346168084 /nfs/dbraw/zinc/16/80/84/346168084.db2.gz BKQBYRCZZLKCPJ-IHRRRGAJSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000380161370 346167943 /nfs/dbraw/zinc/16/79/43/346167943.db2.gz BKQBYRCZZLKCPJ-MELADBBJSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000380161371 346168087 /nfs/dbraw/zinc/16/80/87/346168087.db2.gz BKQBYRCZZLKCPJ-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC(F)F)C(C)(C)C ZINC000380162240 541460474 /nfs/dbraw/zinc/46/04/74/541460474.db2.gz BPZVFPUTNDOIOY-JTQLQIEISA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC(F)F)C(C)(C)C ZINC000380162242 541460447 /nfs/dbraw/zinc/46/04/47/541460447.db2.gz BPZVFPUTNDOIOY-SNVBAGLBSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000380162248 346270551 /nfs/dbraw/zinc/27/05/51/346270551.db2.gz BQCGBKFXCPFAJI-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000380162250 346270723 /nfs/dbraw/zinc/27/07/23/346270723.db2.gz BQCGBKFXCPFAJI-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000380162253 346270638 /nfs/dbraw/zinc/27/06/38/346270638.db2.gz BQCGBKFXCPFAJI-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000380162254 346270797 /nfs/dbraw/zinc/27/07/97/346270797.db2.gz BQCGBKFXCPFAJI-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[C@H](F)C1 ZINC000380162268 346268745 /nfs/dbraw/zinc/26/87/45/346268745.db2.gz CBAMIQPQVWRJFT-CYDGBPFRSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000380162277 346268827 /nfs/dbraw/zinc/26/88/27/346268827.db2.gz CBAMIQPQVWRJFT-LOWDOPEQSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000380162302 346270555 /nfs/dbraw/zinc/27/05/55/346270555.db2.gz CBAMIQPQVWRJFT-RNJOBUHISA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000380162341 367146857 /nfs/dbraw/zinc/14/68/57/367146857.db2.gz CBAMIQPQVWRJFT-RVMXOQNASA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380162584 346296290 /nfs/dbraw/zinc/29/62/90/346296290.db2.gz BRRZWLHOHPXCTL-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000380162585 346296317 /nfs/dbraw/zinc/29/63/17/346296317.db2.gz BRRZWLHOHPXCTL-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccccc1Cl ZINC000380163162 346322703 /nfs/dbraw/zinc/32/27/03/346322703.db2.gz BTUJMMQIRCFGRK-UHFFFAOYSA-N 1 0 223.747 3.786 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000380164973 344704255 /nfs/dbraw/zinc/70/42/55/344704255.db2.gz CFLIJMMIKSEXBR-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000380164979 346386045 /nfs/dbraw/zinc/38/60/45/346386045.db2.gz CFLIJMMIKSEXBR-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000380164985 346385981 /nfs/dbraw/zinc/38/59/81/346385981.db2.gz CFLIJMMIKSEXBR-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000380164997 346385863 /nfs/dbraw/zinc/38/58/63/346385863.db2.gz CFLIJMMIKSEXBR-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000380166203 346448684 /nfs/dbraw/zinc/44/86/84/346448684.db2.gz CNCRBJTWKFLOBC-GXTWGEPZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000380166205 346448828 /nfs/dbraw/zinc/44/88/28/346448828.db2.gz CNCRBJTWKFLOBC-JSGCOSHPSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)CCC2CC2)CC1 ZINC000380166688 346494363 /nfs/dbraw/zinc/49/43/63/346494363.db2.gz CNCRBJTWKFLOBC-OCCSQVGLSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)CCC2CC2)CC1 ZINC000380166691 346494144 /nfs/dbraw/zinc/49/41/44/346494144.db2.gz CNCRBJTWKFLOBC-TZMCWYRMSA-N 1 0 207.361 3.654 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000380167424 398189891 /nfs/dbraw/zinc/18/98/91/398189891.db2.gz FHYCNISBWNGPGE-DXTPNHAXSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C\C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000380167427 398189788 /nfs/dbraw/zinc/18/97/88/398189788.db2.gz FHYCNISBWNGPGE-HSBHDXMMSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000380167428 397775927 /nfs/dbraw/zinc/77/59/27/397775927.db2.gz FHYCNISBWNGPGE-LQPUYASZSA-N 1 0 223.747 3.957 20 0 BHADRO C/C=C/C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000380167429 398190049 /nfs/dbraw/zinc/19/00/49/398190049.db2.gz FHYCNISBWNGPGE-MASHWEEQSA-N 1 0 223.747 3.957 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000380168397 346715293 /nfs/dbraw/zinc/71/52/93/346715293.db2.gz CXLFRDXWWNMPPH-BFHYXJOUSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000380168405 346715507 /nfs/dbraw/zinc/71/55/07/346715507.db2.gz CXLFRDXWWNMPPH-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO Clc1cscc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000380169443 398189700 /nfs/dbraw/zinc/18/97/00/398189700.db2.gz GNPIAZWRFYIQES-ONGXEEELSA-N 1 0 241.787 3.537 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000380169634 346793835 /nfs/dbraw/zinc/79/38/35/346793835.db2.gz DGOWMOZYXKATIY-NXEZZACHSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000380169636 346794014 /nfs/dbraw/zinc/79/40/14/346794014.db2.gz DGOWMOZYXKATIY-UWVGGRQHSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000380170109 346984366 /nfs/dbraw/zinc/98/43/66/346984366.db2.gz DGOWMOZYXKATIY-VHSXEESVSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000380170114 346984930 /nfs/dbraw/zinc/98/49/30/346984930.db2.gz DGOWMOZYXKATIY-ZJUUUORDSA-N 1 0 241.425 3.748 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000380170186 346983768 /nfs/dbraw/zinc/98/37/68/346983768.db2.gz DHWULQGKGRYBBD-IGQOVBAYSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000380170189 346984387 /nfs/dbraw/zinc/98/43/87/346984387.db2.gz DHWULQGKGRYBBD-REWJHTLYSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000380170192 346984878 /nfs/dbraw/zinc/98/48/78/346984878.db2.gz DHWULQGKGRYBBD-RFQIPJPRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000380170196 347132671 /nfs/dbraw/zinc/13/26/71/347132671.db2.gz DHWULQGKGRYBBD-XDQVBPFNSA-N 1 0 209.377 3.589 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000380170365 712705548 /nfs/dbraw/zinc/70/55/48/712705548.db2.gz DLFQZAJCDPQHON-CKYFFXLPSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000380170367 712705441 /nfs/dbraw/zinc/70/54/41/712705441.db2.gz DLFQZAJCDPQHON-HOSYDEDBSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000380170370 712705444 /nfs/dbraw/zinc/70/54/44/712705444.db2.gz DLFQZAJCDPQHON-JBLDHEPKSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000380170373 712705582 /nfs/dbraw/zinc/70/55/82/712705582.db2.gz DLFQZAJCDPQHON-JFGNBEQYSA-N 1 0 241.425 3.601 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000380170952 347181405 /nfs/dbraw/zinc/18/14/05/347181405.db2.gz DMJDHTRYSNQANE-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000380170954 347181161 /nfs/dbraw/zinc/18/11/61/347181161.db2.gz DMJDHTRYSNQANE-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000380170966 347181348 /nfs/dbraw/zinc/18/13/48/347181348.db2.gz DMJDHTRYSNQANE-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000380170982 347178695 /nfs/dbraw/zinc/17/86/95/347178695.db2.gz DMJDHTRYSNQANE-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000380172176 712705783 /nfs/dbraw/zinc/70/57/83/712705783.db2.gz NEYJITPQLOUBET-IFUGULHKSA-N 1 0 232.371 3.517 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000380172178 712705858 /nfs/dbraw/zinc/70/58/58/712705858.db2.gz NEYJITPQLOUBET-ITDIGPHOSA-N 1 0 232.371 3.517 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000380172179 712705797 /nfs/dbraw/zinc/70/57/97/712705797.db2.gz NEYJITPQLOUBET-IXPVHAAZSA-N 1 0 232.371 3.517 20 0 BHADRO Cc1cc(N(C)C)ccc1N[C@@H]1C[C@H](C)[C@H]1C ZINC000380172182 712705736 /nfs/dbraw/zinc/70/57/36/712705736.db2.gz NEYJITPQLOUBET-JVLSTEMRSA-N 1 0 232.371 3.517 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000380172678 352563053 /nfs/dbraw/zinc/56/30/53/352563053.db2.gz ILARMWRGUXNRPT-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000380172681 352563299 /nfs/dbraw/zinc/56/32/99/352563299.db2.gz ILARMWRGUXNRPT-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000380174143 360765112 /nfs/dbraw/zinc/76/51/12/360765112.db2.gz IXOSETSFAAYUMV-CYDGBPFRSA-N 1 0 229.433 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000380174147 360765063 /nfs/dbraw/zinc/76/50/63/360765063.db2.gz IXOSETSFAAYUMV-RVMXOQNASA-N 1 0 229.433 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000380174148 360764667 /nfs/dbraw/zinc/76/46/67/360764667.db2.gz IXOSETSFAAYUMV-WUHRBBMRSA-N 1 0 229.433 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000380174149 360764765 /nfs/dbraw/zinc/76/47/65/360764765.db2.gz IXOSETSFAAYUMV-ZDEQEGDKSA-N 1 0 229.433 3.541 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1cccs1 ZINC000380174428 367151495 /nfs/dbraw/zinc/15/14/95/367151495.db2.gz FEJWRYLPGLVTHA-JTQLQIEISA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cccs1 ZINC000380174456 361342766 /nfs/dbraw/zinc/34/27/66/361342766.db2.gz FEJWRYLPGLVTHA-SNVBAGLBSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000380174687 361356631 /nfs/dbraw/zinc/35/66/31/361356631.db2.gz FFOLQFZLWUYEKL-DYEKYZERSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H]1C[C@H]1C ZINC000380174690 361356258 /nfs/dbraw/zinc/35/62/58/361356258.db2.gz FFOLQFZLWUYEKL-MBNYWOFBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000380174691 361356310 /nfs/dbraw/zinc/35/63/10/361356310.db2.gz FFOLQFZLWUYEKL-OBJOEFQTSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000380174693 361356233 /nfs/dbraw/zinc/35/62/33/361356233.db2.gz FFOLQFZLWUYEKL-SGMGOOAPSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000380177116 359546167 /nfs/dbraw/zinc/54/61/67/359546167.db2.gz FLSKFRDEUHVCHR-UHFFFAOYSA-N 1 0 205.345 3.519 20 0 BHADRO CCCC(CCC)[NH2+]CC1CC(F)(F)C1 ZINC000380178318 347541747 /nfs/dbraw/zinc/54/17/47/347541747.db2.gz FSGDPNKELRVXCP-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000380179374 712706233 /nfs/dbraw/zinc/70/62/33/712706233.db2.gz FVWLLPSQNZHCDL-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000380179376 712706295 /nfs/dbraw/zinc/70/62/95/712706295.db2.gz FVWLLPSQNZHCDL-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000380179378 712706252 /nfs/dbraw/zinc/70/62/52/712706252.db2.gz FVWLLPSQNZHCDL-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000380179390 712706290 /nfs/dbraw/zinc/70/62/90/712706290.db2.gz FVWLLPSQNZHCDL-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](F)CC ZINC000380190015 346507443 /nfs/dbraw/zinc/50/74/43/346507443.db2.gz OMHCHHGJEOKOBN-AGIUHOORSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](F)CC ZINC000380190043 367154231 /nfs/dbraw/zinc/15/42/31/367154231.db2.gz OMHCHHGJEOKOBN-FRRDWIJNSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](F)CC ZINC000380190053 344710263 /nfs/dbraw/zinc/71/02/63/344710263.db2.gz OMHCHHGJEOKOBN-JHJVBQTASA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](F)CC ZINC000380190056 367154836 /nfs/dbraw/zinc/15/48/36/367154836.db2.gz OMHCHHGJEOKOBN-UPJWGTAASA-N 1 0 215.356 3.683 20 0 BHADRO CSc1ccc(C[NH2+]C2CCCCC2)s1 ZINC000380191227 384600700 /nfs/dbraw/zinc/60/07/00/384600700.db2.gz HKIITXMEJRIQDT-UHFFFAOYSA-N 1 0 241.425 3.892 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H](C)CC ZINC000380193951 346544225 /nfs/dbraw/zinc/54/42/25/346544225.db2.gz QGNBFOAHWIZLFZ-IVZWLZJFSA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000380193952 346544397 /nfs/dbraw/zinc/54/43/97/346544397.db2.gz QGNBFOAHWIZLFZ-KXUCPTDWSA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H](C)CC ZINC000380193958 346544375 /nfs/dbraw/zinc/54/43/75/346544375.db2.gz QGNBFOAHWIZLFZ-LPEHRKFASA-N 1 0 225.298 3.742 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000380193959 346544279 /nfs/dbraw/zinc/54/42/79/346544279.db2.gz QGNBFOAHWIZLFZ-OPRDCNLKSA-N 1 0 225.298 3.742 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1CC1 ZINC000380197522 346601606 /nfs/dbraw/zinc/60/16/06/346601606.db2.gz SJWBACIJURXWBD-DHZHZOJOSA-N 1 0 235.758 3.743 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000380202259 346704764 /nfs/dbraw/zinc/70/47/64/346704764.db2.gz UMWGXDOSDCTGJK-GXSJLCMTSA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000380202270 346703795 /nfs/dbraw/zinc/70/37/95/346703795.db2.gz UMWGXDOSDCTGJK-KOLCDFICSA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000380202276 346704173 /nfs/dbraw/zinc/70/41/73/346704173.db2.gz UMWGXDOSDCTGJK-MWLCHTKSSA-N 1 0 243.803 3.722 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000380202280 385309349 /nfs/dbraw/zinc/30/93/49/385309349.db2.gz UMWGXDOSDCTGJK-ONGXEEELSA-N 1 0 243.803 3.722 20 0 BHADRO CCCC[C@H]([NH2+]C1CC(C)C1)C1CCC1 ZINC000380202485 346711201 /nfs/dbraw/zinc/71/12/01/346711201.db2.gz UUTPWNVZCFZYBF-UBHUBRDASA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H]([NH2+]C1CC(C)C1)C1CCC1 ZINC000380202487 346711144 /nfs/dbraw/zinc/71/11/44/346711144.db2.gz UUTPWNVZCFZYBF-UXUKBGGZSA-N 1 0 209.377 3.733 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000380206579 346853121 /nfs/dbraw/zinc/85/31/21/346853121.db2.gz WPDZTTWLYGHCCC-GFUIURDCSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000380206587 343692834 /nfs/dbraw/zinc/69/28/34/343692834.db2.gz WPDZTTWLYGHCCC-SZZPACECSA-N 1 0 203.329 3.530 20 0 BHADRO Clc1cscc1C[NH2+]C[C@H]1CC=CCC1 ZINC000380206606 712725057 /nfs/dbraw/zinc/72/50/57/712725057.db2.gz WPRXTEAAWLXXDL-JTQLQIEISA-N 1 0 241.787 3.847 20 0 BHADRO Clc1cscc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000380206607 712725045 /nfs/dbraw/zinc/72/50/45/712725045.db2.gz WPRXTEAAWLXXDL-SNVBAGLBSA-N 1 0 241.787 3.847 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)SC ZINC000380209282 712725608 /nfs/dbraw/zinc/72/56/08/712725608.db2.gz XZOWQYFLLPCBHU-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)SC ZINC000380209289 712725626 /nfs/dbraw/zinc/72/56/26/712725626.db2.gz XZOWQYFLLPCBHU-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)SC ZINC000380209295 712725622 /nfs/dbraw/zinc/72/56/22/712725622.db2.gz XZOWQYFLLPCBHU-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)SC ZINC000380209302 712725607 /nfs/dbraw/zinc/72/56/07/712725607.db2.gz XZOWQYFLLPCBHU-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO C(CC1CCOCC1)[NH2+]C1CCCCCCC1 ZINC000380210317 712725845 /nfs/dbraw/zinc/72/58/45/712725845.db2.gz HNYMADXJWWVWHR-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000380214298 344722496 /nfs/dbraw/zinc/72/24/96/344722496.db2.gz HWQGZDYQDVPHHB-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000380214301 347192385 /nfs/dbraw/zinc/19/23/85/347192385.db2.gz HWQGZDYQDVPHHB-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)s1 ZINC000380218279 367155972 /nfs/dbraw/zinc/15/59/72/367155972.db2.gz ISNKDDBUPWCWBB-GXSJLCMTSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000380218290 367155532 /nfs/dbraw/zinc/15/55/32/367155532.db2.gz ISNKDDBUPWCWBB-KOLCDFICSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)s1 ZINC000380218294 344221705 /nfs/dbraw/zinc/22/17/05/344221705.db2.gz ISNKDDBUPWCWBB-MWLCHTKSSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)s1 ZINC000380218318 344241500 /nfs/dbraw/zinc/24/15/00/344241500.db2.gz ISNKDDBUPWCWBB-ONGXEEELSA-N 1 0 241.425 3.748 20 0 BHADRO CCCC(CCC)[NH2+]CC1(C(F)F)CC1 ZINC000380218528 345245875 /nfs/dbraw/zinc/24/58/75/345245875.db2.gz IVZFHMMBVVIJRP-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1 ZINC000380220381 346370773 /nfs/dbraw/zinc/37/07/73/346370773.db2.gz JCPNZTGEVKZQPN-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC1(C)CC1 ZINC000380221113 346427594 /nfs/dbraw/zinc/42/75/94/346427594.db2.gz JGWHKVICBFFDET-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC1(C)CC1 ZINC000380221114 346427737 /nfs/dbraw/zinc/42/77/37/346427737.db2.gz JGWHKVICBFFDET-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)c(C)s1 ZINC000380222701 346527861 /nfs/dbraw/zinc/52/78/61/346527861.db2.gz JOWQMJRATFABET-UHFFFAOYSA-N 1 0 225.401 3.889 20 0 BHADRO Cc1ccccc1C[NH2+]C(C)(C)C(C)C ZINC000380222878 367157755 /nfs/dbraw/zinc/15/77/55/367157755.db2.gz JRBMIIWDKZTGDR-UHFFFAOYSA-N 1 0 205.345 3.519 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000380225909 346735427 /nfs/dbraw/zinc/73/54/27/346735427.db2.gz KGAALMOQZMLCMT-AGIUHOORSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)C1CC1 ZINC000380225914 367157528 /nfs/dbraw/zinc/15/75/28/367157528.db2.gz KGAALMOQZMLCMT-FRRDWIJNSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC[C@H]1C)C1CC1 ZINC000380225916 367157772 /nfs/dbraw/zinc/15/77/72/367157772.db2.gz KGAALMOQZMLCMT-JHJVBQTASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000380225917 367157339 /nfs/dbraw/zinc/15/73/39/367157339.db2.gz KGAALMOQZMLCMT-UPJWGTAASA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000380226178 712833298 /nfs/dbraw/zinc/83/32/98/712833298.db2.gz KJKDCBCKRHMQRE-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000380226184 712833268 /nfs/dbraw/zinc/83/32/68/712833268.db2.gz KJKDCBCKRHMQRE-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000380226186 712833282 /nfs/dbraw/zinc/83/32/82/712833282.db2.gz KJKDCBCKRHMQRE-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000380226189 712833276 /nfs/dbraw/zinc/83/32/76/712833276.db2.gz KJKDCBCKRHMQRE-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC[C@H]1C)C(C)(C)C ZINC000380227027 346801263 /nfs/dbraw/zinc/80/12/63/346801263.db2.gz KKKVRQOPTHHSNF-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC[C@H]1C)C(C)(C)C ZINC000380227028 346801233 /nfs/dbraw/zinc/80/12/33/346801233.db2.gz KKKVRQOPTHHSNF-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)C(C)(C)C ZINC000380227029 346800994 /nfs/dbraw/zinc/80/09/94/346800994.db2.gz KKKVRQOPTHHSNF-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC[C@@H]1C)C(C)(C)C ZINC000380227030 346800973 /nfs/dbraw/zinc/80/09/73/346800973.db2.gz KKKVRQOPTHHSNF-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000380227075 712833528 /nfs/dbraw/zinc/83/35/28/712833528.db2.gz KNBJYBKVZCBLHK-CZXHOFHRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1[C@H](C)CC[C@H]1C ZINC000380227076 712833491 /nfs/dbraw/zinc/83/34/91/712833491.db2.gz KNBJYBKVZCBLHK-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000380227077 712833488 /nfs/dbraw/zinc/83/34/88/712833488.db2.gz KNBJYBKVZCBLHK-KZVDOYCCSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000380227078 712833447 /nfs/dbraw/zinc/83/34/47/712833447.db2.gz KNBJYBKVZCBLHK-SDDRHHMPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)CC[NH2+]C1(C(F)F)CCCC1 ZINC000380227702 538115640 /nfs/dbraw/zinc/11/56/40/538115640.db2.gz KPULYGABVHTKHE-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCF ZINC000380229688 346866418 /nfs/dbraw/zinc/86/64/18/346866418.db2.gz KRCVPORIBSCIGP-PKNBQFBNSA-N 1 0 241.737 3.693 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000380231432 367157702 /nfs/dbraw/zinc/15/77/02/367157702.db2.gz YFPFMWQWQWYILJ-KGLIPLIRSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000380231435 367157024 /nfs/dbraw/zinc/15/70/24/367157024.db2.gz YFPFMWQWQWYILJ-ZIAGYGMSSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000380231996 346887789 /nfs/dbraw/zinc/88/77/89/346887789.db2.gz LOJDVEKSQRLUMW-GHMZBOCLSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000380232001 346887781 /nfs/dbraw/zinc/88/77/81/346887781.db2.gz LOJDVEKSQRLUMW-MNOVXSKESA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000380232003 346888172 /nfs/dbraw/zinc/88/81/72/346888172.db2.gz LOJDVEKSQRLUMW-QWRGUYRKSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000380232006 346887960 /nfs/dbraw/zinc/88/79/60/346887960.db2.gz LOJDVEKSQRLUMW-WDEREUQCSA-N 1 0 223.385 3.581 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCCF)C1 ZINC000380232047 346887927 /nfs/dbraw/zinc/88/79/27/346887927.db2.gz LOTPXBVNTVEHLP-CHWSQXEVSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCCCF)C1 ZINC000380232052 367157199 /nfs/dbraw/zinc/15/71/99/367157199.db2.gz LOTPXBVNTVEHLP-OLZOCXBDSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCCF)C1 ZINC000380232054 367157747 /nfs/dbraw/zinc/15/77/47/367157747.db2.gz LOTPXBVNTVEHLP-QWHCGFSZSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCCCF)C1 ZINC000380232061 367157555 /nfs/dbraw/zinc/15/75/55/367157555.db2.gz LOTPXBVNTVEHLP-STQMWFEESA-N 1 0 215.356 3.541 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000380232250 346889627 /nfs/dbraw/zinc/88/96/27/346889627.db2.gz LRBVSXYDUKBELW-KPPDAEKUSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000380232253 346889691 /nfs/dbraw/zinc/88/96/91/346889691.db2.gz LRBVSXYDUKBELW-WHXUTIOJSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000380233418 344728876 /nfs/dbraw/zinc/72/88/76/344728876.db2.gz LVSJSVQRVPWWFI-GFCCVEGCSA-N 1 0 243.803 3.926 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000380233428 346911749 /nfs/dbraw/zinc/91/17/49/346911749.db2.gz LVSJSVQRVPWWFI-LBPRGKRZSA-N 1 0 243.803 3.926 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380234378 367157883 /nfs/dbraw/zinc/15/78/83/367157883.db2.gz SDAONAATZLTJJE-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000380234382 346959759 /nfs/dbraw/zinc/95/97/59/346959759.db2.gz SDAONAATZLTJJE-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCCF)s1 ZINC000380239026 356427587 /nfs/dbraw/zinc/42/75/87/356427587.db2.gz MYTRFWCXMJIJRH-JTQLQIEISA-N 1 0 229.364 3.711 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCCF)s1 ZINC000380239032 356427680 /nfs/dbraw/zinc/42/76/80/356427680.db2.gz MYTRFWCXMJIJRH-SNVBAGLBSA-N 1 0 229.364 3.711 20 0 BHADRO CCOC1(C[NH2+]C2CCC(C)CC2)CCCC1 ZINC000380239887 365831537 /nfs/dbraw/zinc/83/15/37/365831537.db2.gz VBQXKGJEIRTVHX-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1 ZINC000380249462 712846083 /nfs/dbraw/zinc/84/60/83/712846083.db2.gz OWLYHJXBOWEOLK-ANRVEHPFSA-N 1 0 241.787 3.812 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000380249464 712846176 /nfs/dbraw/zinc/84/61/76/712846176.db2.gz OWLYHJXBOWEOLK-GJQXAKHRSA-N 1 0 241.787 3.812 20 0 BHADRO CC(C)C1CC([NH2+]CCSC(C)(C)C)C1 ZINC000380253718 712847169 /nfs/dbraw/zinc/84/71/69/712847169.db2.gz PURRNAIQIJRFMS-UHFFFAOYSA-N 1 0 229.433 3.542 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000380254310 366805273 /nfs/dbraw/zinc/80/52/73/366805273.db2.gz PXOUQBZZTDLQRE-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000380254315 366805782 /nfs/dbraw/zinc/80/57/82/366805782.db2.gz PXOUQBZZTDLQRE-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000380254317 366805861 /nfs/dbraw/zinc/80/58/61/366805861.db2.gz PXOUQBZZTDLQRE-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000380254323 366805929 /nfs/dbraw/zinc/80/59/29/366805929.db2.gz PXOUQBZZTDLQRE-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)=CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000380255022 366900920 /nfs/dbraw/zinc/90/09/20/366900920.db2.gz QAOKZKDDYALJID-KBPBESRZSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000380255029 366901156 /nfs/dbraw/zinc/90/11/56/366901156.db2.gz QAOKZKDDYALJID-KGLIPLIRSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000380255034 366901275 /nfs/dbraw/zinc/90/12/75/366901275.db2.gz QAOKZKDDYALJID-UONOGXRCSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000380255037 366901427 /nfs/dbraw/zinc/90/14/27/366901427.db2.gz QAOKZKDDYALJID-ZIAGYGMSSA-N 1 0 207.361 3.535 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000380258242 538987728 /nfs/dbraw/zinc/98/77/28/538987728.db2.gz QVDXWVPULJLLLA-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000380258251 538987857 /nfs/dbraw/zinc/98/78/57/538987857.db2.gz QVDXWVPULJLLLA-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCC1CCCC1 ZINC000380258254 538988076 /nfs/dbraw/zinc/98/80/76/538988076.db2.gz QVDXWVPULJLLLA-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCC1CCCC1 ZINC000380258255 538987893 /nfs/dbraw/zinc/98/78/93/538987893.db2.gz QVDXWVPULJLLLA-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C([NH2+]Cc1ccc(Cl)o1)C(C)C ZINC000380259759 538987986 /nfs/dbraw/zinc/98/79/86/538987986.db2.gz RDHKYDUXISWVAT-UHFFFAOYSA-N 1 0 229.751 3.703 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C/C=C\Cl ZINC000380259799 712849004 /nfs/dbraw/zinc/84/90/04/712849004.db2.gz REHNRKMRTFUSKV-DAGBOUIGSA-N 1 0 241.787 3.812 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C/C=C/Cl ZINC000380259800 712848739 /nfs/dbraw/zinc/84/87/39/712848739.db2.gz REHNRKMRTFUSKV-VHODGJRUSA-N 1 0 241.787 3.812 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCCCF ZINC000380265741 344023725 /nfs/dbraw/zinc/02/37/25/344023725.db2.gz UCAGAJLSKRZITE-UHFFFAOYSA-N 1 0 217.372 3.787 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)CC1CC1)C(C)(C)C ZINC000380266594 367166878 /nfs/dbraw/zinc/16/68/78/367166878.db2.gz UJNLZTBJPQLRJS-CMPLNLGQSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)CC1CC1)C(C)(C)C ZINC000380266595 344738053 /nfs/dbraw/zinc/73/80/53/344738053.db2.gz UJNLZTBJPQLRJS-JQWIXIFHSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)CC1CC1)C(C)(C)C ZINC000380266599 367166364 /nfs/dbraw/zinc/16/63/64/367166364.db2.gz UJNLZTBJPQLRJS-PWSUYJOCSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)CC1CC1)C(C)(C)C ZINC000380266600 367166408 /nfs/dbraw/zinc/16/64/08/367166408.db2.gz UJNLZTBJPQLRJS-ZYHUDNBSSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CCC(C)CC1 ZINC000380269439 367168013 /nfs/dbraw/zinc/16/80/13/367168013.db2.gz VKXHPLSNQUVYST-LXVYMNJGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CCC(C)CC1 ZINC000380269448 367168241 /nfs/dbraw/zinc/16/82/41/367168241.db2.gz VKXHPLSNQUVYST-MBHSVXNSSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000380270021 367167944 /nfs/dbraw/zinc/16/79/44/367167944.db2.gz VTEHKGPLGPQPSD-UHFFFAOYSA-N 1 0 225.763 3.864 20 0 BHADRO C[Si](C)(C)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000380270438 712857053 /nfs/dbraw/zinc/85/70/53/712857053.db2.gz VXIRXAQHQAMDFC-GFCCVEGCSA-N 1 0 239.460 3.666 20 0 BHADRO C[Si](C)(C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000380270439 712856941 /nfs/dbraw/zinc/85/69/41/712856941.db2.gz VXIRXAQHQAMDFC-LBPRGKRZSA-N 1 0 239.460 3.666 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)C(C)(C)C)C(C)(C)C ZINC000380270845 367168467 /nfs/dbraw/zinc/16/84/67/367168467.db2.gz WAYPBJGZDRDOMW-GHMZBOCLSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)C(C)(C)C)C(C)(C)C ZINC000380270848 367167882 /nfs/dbraw/zinc/16/78/82/367167882.db2.gz WAYPBJGZDRDOMW-MNOVXSKESA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C(C)(C)C ZINC000380270850 367168442 /nfs/dbraw/zinc/16/84/42/367168442.db2.gz WAYPBJGZDRDOMW-QWRGUYRKSA-N 1 0 231.449 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)C(C)(C)C)C(C)(C)C ZINC000380270855 345246260 /nfs/dbraw/zinc/24/62/60/345246260.db2.gz WAYPBJGZDRDOMW-WDEREUQCSA-N 1 0 231.449 3.788 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000380271664 345247030 /nfs/dbraw/zinc/24/70/30/345247030.db2.gz WJWHAMUBNNLITG-CYBMUJFWSA-N 1 0 227.417 3.608 20 0 BHADRO CSCCCCC[NH2+][C@H]1CC=C(C)CC1 ZINC000380271665 345247812 /nfs/dbraw/zinc/24/78/12/345247812.db2.gz WJWHAMUBNNLITG-ZDUSSCGKSA-N 1 0 227.417 3.608 20 0 BHADRO CS[C@H](C[NH2+]Cc1cccs1)C(C)(C)C ZINC000380271900 367167607 /nfs/dbraw/zinc/16/76/07/367167607.db2.gz WMGIMFJTOROQRF-LLVKDONJSA-N 1 0 243.441 3.615 20 0 BHADRO CS[C@@H](C[NH2+]Cc1cccs1)C(C)(C)C ZINC000380271901 367168446 /nfs/dbraw/zinc/16/84/46/367168446.db2.gz WMGIMFJTOROQRF-NSHDSACASA-N 1 0 243.441 3.615 20 0 BHADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)CF ZINC000380273250 367169667 /nfs/dbraw/zinc/16/96/67/367169667.db2.gz WYPWMZOJJCMBTH-BDAKNGLRSA-N 1 0 249.782 3.670 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000380273258 344744238 /nfs/dbraw/zinc/74/42/38/344744238.db2.gz WYPWMZOJJCMBTH-DTWKUNHWSA-N 1 0 249.782 3.670 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000380273298 367168912 /nfs/dbraw/zinc/16/89/12/367168912.db2.gz WYPWMZOJJCMBTH-IUCAKERBSA-N 1 0 249.782 3.670 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000380273303 345256160 /nfs/dbraw/zinc/25/61/60/345256160.db2.gz WYPWMZOJJCMBTH-RKDXNWHRSA-N 1 0 249.782 3.670 20 0 BHADRO CC(C)(CF)[NH2+]CC1CCC(C)(C)CC1 ZINC000380273897 367168986 /nfs/dbraw/zinc/16/89/86/367168986.db2.gz XCCSKGJEJPXBLC-UHFFFAOYSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000380274593 367168852 /nfs/dbraw/zinc/16/88/52/367168852.db2.gz XLGFYPZXIVSZSU-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000380279125 345276497 /nfs/dbraw/zinc/27/64/97/345276497.db2.gz YNCNAFZPDHYXFY-AGIUHOORSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000380279126 345276691 /nfs/dbraw/zinc/27/66/91/345276691.db2.gz YNCNAFZPDHYXFY-FRRDWIJNSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000380279127 345276664 /nfs/dbraw/zinc/27/66/64/345276664.db2.gz YNCNAFZPDHYXFY-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000380279128 345276445 /nfs/dbraw/zinc/27/64/45/345276445.db2.gz YNCNAFZPDHYXFY-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000380280842 538988481 /nfs/dbraw/zinc/98/84/81/538988481.db2.gz YXRMSAAGSRHOST-AVGNSLFASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000380280844 538988756 /nfs/dbraw/zinc/98/87/56/538988756.db2.gz YXRMSAAGSRHOST-RWMBFGLXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000380280845 538988800 /nfs/dbraw/zinc/98/88/00/538988800.db2.gz YXRMSAAGSRHOST-XQQFMLRXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000380280849 538988608 /nfs/dbraw/zinc/98/86/08/538988608.db2.gz YXRMSAAGSRHOST-YNEHKIRRSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000380290212 367172336 /nfs/dbraw/zinc/17/23/36/367172336.db2.gz BJKHRLKIHHUJAM-JTQLQIEISA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000380290216 367172789 /nfs/dbraw/zinc/17/27/89/367172789.db2.gz BJKHRLKIHHUJAM-SNVBAGLBSA-N 1 0 223.385 3.896 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCC1(C)CC1 ZINC000380290272 367172878 /nfs/dbraw/zinc/17/28/78/367172878.db2.gz BJQDYBBNWHNKFD-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000380290286 367172868 /nfs/dbraw/zinc/17/28/68/367172868.db2.gz BJQDYBBNWHNKFD-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCC1(C)CC1 ZINC000380290299 345324794 /nfs/dbraw/zinc/32/47/94/345324794.db2.gz BJQDYBBNWHNKFD-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000380290309 345322786 /nfs/dbraw/zinc/32/27/86/345322786.db2.gz BJQDYBBNWHNKFD-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000380294505 345444658 /nfs/dbraw/zinc/44/46/58/345444658.db2.gz CITOIPVTGGDTIC-LLVKDONJSA-N 1 0 203.329 3.526 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CCC2)CCCC1 ZINC000380296134 345545321 /nfs/dbraw/zinc/54/53/21/345545321.db2.gz CSSCWIQCDKIMEA-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CCC2)CCCC1 ZINC000380296144 367172860 /nfs/dbraw/zinc/17/28/60/367172860.db2.gz CSSCWIQCDKIMEA-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000380299418 367174180 /nfs/dbraw/zinc/17/41/80/367174180.db2.gz DIJOZQYKFDXDBC-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000380299423 345583625 /nfs/dbraw/zinc/58/36/25/345583625.db2.gz DIJOZQYKFDXDBC-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000380299427 345583624 /nfs/dbraw/zinc/58/36/24/345583624.db2.gz DIJOZQYKFDXDBC-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000380299434 345592057 /nfs/dbraw/zinc/59/20/57/345592057.db2.gz DIJOZQYKFDXDBC-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO CSc1ccc(C[NH2+]C2(C)CCCC2)s1 ZINC000380300482 367174123 /nfs/dbraw/zinc/17/41/23/367174123.db2.gz DMMHQRQLHCYTRL-UHFFFAOYSA-N 1 0 241.425 3.892 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC000380301132 345921454 /nfs/dbraw/zinc/92/14/54/345921454.db2.gz DRXKCBKAAUYLOM-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC000380301134 345921277 /nfs/dbraw/zinc/92/12/77/345921277.db2.gz DRXKCBKAAUYLOM-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC000380301466 345924026 /nfs/dbraw/zinc/92/40/26/345924026.db2.gz DRXKCBKAAUYLOM-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC000380301470 345924095 /nfs/dbraw/zinc/92/40/95/345924095.db2.gz DRXKCBKAAUYLOM-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CCC(CC)C[NH2+]C/C=C\c1ccccc1 ZINC000380304981 345975739 /nfs/dbraw/zinc/97/57/39/345975739.db2.gz XLHXMUUWDYEORZ-FLIBITNWSA-N 1 0 217.356 3.726 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000380305964 345994283 /nfs/dbraw/zinc/99/42/83/345994283.db2.gz FOFWJMFEQHOPFO-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000380305965 345994188 /nfs/dbraw/zinc/99/41/88/345994188.db2.gz FOFWJMFEQHOPFO-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000380305970 345994246 /nfs/dbraw/zinc/99/42/46/345994246.db2.gz FOFWJMFEQHOPFO-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000380305974 367175861 /nfs/dbraw/zinc/17/58/61/367175861.db2.gz FOFWJMFEQHOPFO-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC000380306342 367175636 /nfs/dbraw/zinc/17/56/36/367175636.db2.gz FSDLMOFWSWOIPI-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC000380306602 346065363 /nfs/dbraw/zinc/06/53/63/346065363.db2.gz FSDLMOFWSWOIPI-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)C ZINC000380306603 346065477 /nfs/dbraw/zinc/06/54/77/346065477.db2.gz FSDLMOFWSWOIPI-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(C)C ZINC000380306604 346065574 /nfs/dbraw/zinc/06/55/74/346065574.db2.gz FSDLMOFWSWOIPI-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000380306919 367175625 /nfs/dbraw/zinc/17/56/25/367175625.db2.gz FWBADQIHAHGGDT-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)(C)C ZINC000380306923 344841189 /nfs/dbraw/zinc/84/11/89/344841189.db2.gz FWBADQIHAHGGDT-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)(C)C ZINC000380306924 367175691 /nfs/dbraw/zinc/17/56/91/367175691.db2.gz FWBADQIHAHGGDT-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000380306926 367175164 /nfs/dbraw/zinc/17/51/64/367175164.db2.gz FWBADQIHAHGGDT-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO Cc1cc(C[NH2+]CCC2(C)CC2)c(C)s1 ZINC000380307428 367175113 /nfs/dbraw/zinc/17/51/13/367175113.db2.gz FZNWIQHCFLIZTP-UHFFFAOYSA-N 1 0 223.385 3.645 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC12CCCC2 ZINC000380312879 538988483 /nfs/dbraw/zinc/98/84/83/538988483.db2.gz HTINCLZDEQDRIM-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCC12CCCC2 ZINC000380312895 538988351 /nfs/dbraw/zinc/98/83/51/538988351.db2.gz HTINCLZDEQDRIM-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)CF)C1 ZINC000380313034 367175267 /nfs/dbraw/zinc/17/52/67/367175267.db2.gz HXSJPKKQBADYFM-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)CF)C1 ZINC000380313035 367175755 /nfs/dbraw/zinc/17/57/55/367175755.db2.gz HXSJPKKQBADYFM-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)CF)C1 ZINC000380313036 367175887 /nfs/dbraw/zinc/17/58/87/367175887.db2.gz HXSJPKKQBADYFM-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)CF)C1 ZINC000380313037 367175590 /nfs/dbraw/zinc/17/55/90/367175590.db2.gz HXSJPKKQBADYFM-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CC1=CC[C@H]([NH2+]CCC2=CCCC2)CC1 ZINC000380313038 367175533 /nfs/dbraw/zinc/17/55/33/367175533.db2.gz HXURIHOJZOZRAD-AWEZNQCLSA-N 1 0 205.345 3.575 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCC2=CCCC2)CC1 ZINC000380313048 346314370 /nfs/dbraw/zinc/31/43/70/346314370.db2.gz HXURIHOJZOZRAD-CQSZACIVSA-N 1 0 205.345 3.575 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2ccccc2)C1 ZINC000380316156 346354064 /nfs/dbraw/zinc/35/40/64/346354064.db2.gz IYNXLTMCKBSSQI-DCBWTQNWSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)C1CCSCC1 ZINC000380316563 367176973 /nfs/dbraw/zinc/17/69/73/367176973.db2.gz JBSQARATTGQDMB-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)C1CCSCC1 ZINC000380316565 367176022 /nfs/dbraw/zinc/17/60/22/367176022.db2.gz JBSQARATTGQDMB-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCCC1(F)F ZINC000380316764 538989064 /nfs/dbraw/zinc/98/90/64/538989064.db2.gz JDEPPERJKQDXRO-GHMZBOCLSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCCC1(F)F ZINC000380316767 538989261 /nfs/dbraw/zinc/98/92/61/538989261.db2.gz JDEPPERJKQDXRO-MNOVXSKESA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCCC1(F)F ZINC000380316770 538989355 /nfs/dbraw/zinc/98/93/55/538989355.db2.gz JDEPPERJKQDXRO-QWRGUYRKSA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCCC1(F)F ZINC000380316771 538989383 /nfs/dbraw/zinc/98/93/83/538989383.db2.gz JDEPPERJKQDXRO-WDEREUQCSA-N 1 0 219.319 3.733 20 0 BHADRO CCC(CC)C[NH2+]C(C)(C)CC(F)(F)F ZINC000380317175 538988739 /nfs/dbraw/zinc/98/87/39/538988739.db2.gz JHLFQEYZQQSGCM-UHFFFAOYSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC1(C[NH2+][C@H](C)CCC2CC2)CC1 ZINC000380319987 367176865 /nfs/dbraw/zinc/17/68/65/367176865.db2.gz KCVRPEWUPNWVEH-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000380319988 367176359 /nfs/dbraw/zinc/17/63/59/367176359.db2.gz KCVRPEWUPNWVEH-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO CCCCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000380322161 346407694 /nfs/dbraw/zinc/40/76/94/346407694.db2.gz KSKKJNGOIDITLN-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CCCCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000380322162 344854454 /nfs/dbraw/zinc/85/44/54/344854454.db2.gz KSKKJNGOIDITLN-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)CC(C)C)s1 ZINC000380322923 344852871 /nfs/dbraw/zinc/85/28/71/344852871.db2.gz LAVTWKZFGFSNSZ-JTQLQIEISA-N 1 0 243.441 3.994 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)CC(C)C)s1 ZINC000380322926 367178417 /nfs/dbraw/zinc/17/84/17/367178417.db2.gz LAVTWKZFGFSNSZ-SNVBAGLBSA-N 1 0 243.441 3.994 20 0 BHADRO CCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000380323370 346419199 /nfs/dbraw/zinc/41/91/99/346419199.db2.gz LCJPQDZTKWFXRL-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000380324845 367178550 /nfs/dbraw/zinc/17/85/50/367178550.db2.gz LQIBMKYRERWYJU-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000380324848 367178104 /nfs/dbraw/zinc/17/81/04/367178104.db2.gz LQIBMKYRERWYJU-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@H](F)C1 ZINC000380324852 367178139 /nfs/dbraw/zinc/17/81/39/367178139.db2.gz LQIBMKYRERWYJU-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000380324854 367178448 /nfs/dbraw/zinc/17/84/48/367178448.db2.gz LQIBMKYRERWYJU-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000380325448 346439281 /nfs/dbraw/zinc/43/92/81/346439281.db2.gz LUPZTBSKQKANNR-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000380325449 346439545 /nfs/dbraw/zinc/43/95/45/346439545.db2.gz LUPZTBSKQKANNR-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380327280 367178097 /nfs/dbraw/zinc/17/80/97/367178097.db2.gz MPNXOFHDGJJEDA-RFGFWPKPSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380327281 367178238 /nfs/dbraw/zinc/17/82/38/367178238.db2.gz MPNXOFHDGJJEDA-RQJABVFESA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380327282 367178454 /nfs/dbraw/zinc/17/84/54/367178454.db2.gz MPNXOFHDGJJEDA-XJFOESAGSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000380327283 367177632 /nfs/dbraw/zinc/17/76/32/367177632.db2.gz MPNXOFHDGJJEDA-ZOBORPQBSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000380327363 346466715 /nfs/dbraw/zinc/46/67/15/346466715.db2.gz MQFLGUDEQRQHFV-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000380327364 346466852 /nfs/dbraw/zinc/46/68/52/346466852.db2.gz MQFLGUDEQRQHFV-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CSc1ccc(C[NH2+]CCC2CCC2)s1 ZINC000380328200 712886754 /nfs/dbraw/zinc/88/67/54/712886754.db2.gz MXTADOFFVNACTK-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000380328935 487471555 /nfs/dbraw/zinc/47/15/55/487471555.db2.gz NHJXRIFVCJFPJR-GHMZBOCLSA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000380328936 487471690 /nfs/dbraw/zinc/47/16/90/487471690.db2.gz NHJXRIFVCJFPJR-MNOVXSKESA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000380328937 487471482 /nfs/dbraw/zinc/47/14/82/487471482.db2.gz NHJXRIFVCJFPJR-QWRGUYRKSA-N 1 0 209.333 3.736 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000380328938 487471751 /nfs/dbraw/zinc/47/17/51/487471751.db2.gz NHJXRIFVCJFPJR-WDEREUQCSA-N 1 0 209.333 3.736 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000380330446 367182503 /nfs/dbraw/zinc/18/25/03/367182503.db2.gz NXIMGQRADSNVJF-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000380330447 367182659 /nfs/dbraw/zinc/18/26/59/367182659.db2.gz NXIMGQRADSNVJF-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000380330448 367182567 /nfs/dbraw/zinc/18/25/67/367182567.db2.gz NXIMGQRADSNVJF-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000380330449 367182973 /nfs/dbraw/zinc/18/29/73/367182973.db2.gz NXIMGQRADSNVJF-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)(C)C(C)(C)CNc1ccccn1 ZINC000380330653 346545072 /nfs/dbraw/zinc/54/50/72/346545072.db2.gz OBSDXKLPKJOABV-UHFFFAOYSA-N 1 0 206.333 3.566 20 0 BHADRO CSc1ccc(C[NH2+]CCCC2CC2)s1 ZINC000380332292 346613505 /nfs/dbraw/zinc/61/35/05/346613505.db2.gz OPUVFSZDADKSIC-UHFFFAOYSA-N 1 0 241.425 3.750 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)C ZINC000380332995 346666210 /nfs/dbraw/zinc/66/62/10/346666210.db2.gz OWZRTQWZZXOQGG-GHMZBOCLSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)C ZINC000380332999 346672111 /nfs/dbraw/zinc/67/21/11/346672111.db2.gz OWZRTQWZZXOQGG-MNOVXSKESA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)C ZINC000380333006 346671993 /nfs/dbraw/zinc/67/19/93/346671993.db2.gz OWZRTQWZZXOQGG-QWRGUYRKSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)C ZINC000380333007 346671787 /nfs/dbraw/zinc/67/17/87/346671787.db2.gz OWZRTQWZZXOQGG-WDEREUQCSA-N 1 0 219.319 3.589 20 0 BHADRO CSCCC[NH2+]CCCC1CCCCC1 ZINC000380334636 367184056 /nfs/dbraw/zinc/18/40/56/367184056.db2.gz PPMVKCJNQUUITM-UHFFFAOYSA-N 1 0 229.433 3.690 20 0 BHADRO CSC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC000380335167 346834233 /nfs/dbraw/zinc/83/42/33/346834233.db2.gz PVGOJNMTGRHNFA-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC000380335170 346831689 /nfs/dbraw/zinc/83/16/89/346831689.db2.gz PVGOJNMTGRHNFA-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000380336017 367183445 /nfs/dbraw/zinc/18/34/45/367183445.db2.gz QASGJLHIKQIZCH-AVGNSLFASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000380336019 367183452 /nfs/dbraw/zinc/18/34/52/367183452.db2.gz QASGJLHIKQIZCH-RWMBFGLXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000380336020 367183683 /nfs/dbraw/zinc/18/36/83/367183683.db2.gz QASGJLHIKQIZCH-XQQFMLRXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000380336022 367184162 /nfs/dbraw/zinc/18/41/62/367184162.db2.gz QASGJLHIKQIZCH-YNEHKIRRSA-N 1 0 209.377 3.589 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000380338630 346890197 /nfs/dbraw/zinc/89/01/97/346890197.db2.gz QZCMEYSBNZYPAD-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000380338634 346890226 /nfs/dbraw/zinc/89/02/26/346890226.db2.gz QZCMEYSBNZYPAD-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000380338635 346890123 /nfs/dbraw/zinc/89/01/23/346890123.db2.gz QZCMEYSBNZYPAD-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000380338643 346890237 /nfs/dbraw/zinc/89/02/37/346890237.db2.gz QZCMEYSBNZYPAD-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C/C=C\Cl ZINC000380339594 712888185 /nfs/dbraw/zinc/88/81/85/712888185.db2.gz REHNRKMRTFUSKV-NVDWLVSRSA-N 1 0 241.787 3.812 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C/C=C/Cl ZINC000380339595 712888362 /nfs/dbraw/zinc/88/83/62/712888362.db2.gz REHNRKMRTFUSKV-YVFTVSHDSA-N 1 0 241.787 3.812 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000380339647 346900995 /nfs/dbraw/zinc/90/09/95/346900995.db2.gz RGMQHTCJLFFNBJ-CHWSQXEVSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000380339648 384315707 /nfs/dbraw/zinc/31/57/07/384315707.db2.gz RGMQHTCJLFFNBJ-OLZOCXBDSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000380339649 346901297 /nfs/dbraw/zinc/90/12/97/346901297.db2.gz RGMQHTCJLFFNBJ-QWHCGFSZSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000380339650 346901108 /nfs/dbraw/zinc/90/11/08/346901108.db2.gz RGMQHTCJLFFNBJ-STQMWFEESA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000380341300 367188458 /nfs/dbraw/zinc/18/84/58/367188458.db2.gz RSSSHIHBGGWFJU-DLOVCJGASA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000380341301 346979156 /nfs/dbraw/zinc/97/91/56/346979156.db2.gz RSSSHIHBGGWFJU-MVWJERBFSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000380341303 346979132 /nfs/dbraw/zinc/97/91/32/346979132.db2.gz RSSSHIHBGGWFJU-WCQGTBRESA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000380341304 346979212 /nfs/dbraw/zinc/97/92/12/346979212.db2.gz RSSSHIHBGGWFJU-ZMLRMANQSA-N 1 0 221.369 3.587 20 0 BHADRO CCSCC[NH2+]CC(C)(C)C1CCCC1 ZINC000380341315 346979189 /nfs/dbraw/zinc/97/91/89/346979189.db2.gz RSUTUXOQJIWCCQ-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](F)CC ZINC000380343649 367188862 /nfs/dbraw/zinc/18/88/62/367188862.db2.gz SJYGDRBVUSQEDD-AGIUHOORSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](F)CC ZINC000380343654 367188426 /nfs/dbraw/zinc/18/84/26/367188426.db2.gz SJYGDRBVUSQEDD-FRRDWIJNSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](F)CC ZINC000380343656 367188162 /nfs/dbraw/zinc/18/81/62/367188162.db2.gz SJYGDRBVUSQEDD-JHJVBQTASA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](F)CC ZINC000380343657 367188742 /nfs/dbraw/zinc/18/87/42/367188742.db2.gz SJYGDRBVUSQEDD-UPJWGTAASA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C)C(C)(C)C ZINC000380344390 347187742 /nfs/dbraw/zinc/18/77/42/347187742.db2.gz SQVJTNKURAFVQA-GFCCVEGCSA-N 1 0 231.449 3.790 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C)C(C)(C)C ZINC000380344391 347187268 /nfs/dbraw/zinc/18/72/68/347187268.db2.gz SQVJTNKURAFVQA-LBPRGKRZSA-N 1 0 231.449 3.790 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000380345103 487471687 /nfs/dbraw/zinc/47/16/87/487471687.db2.gz SWDQCELSKHBNNU-BFHYXJOUSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000380345104 487471433 /nfs/dbraw/zinc/47/14/33/487471433.db2.gz SWDQCELSKHBNNU-MCIONIFRSA-N 1 0 209.377 3.591 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000380346492 367188595 /nfs/dbraw/zinc/18/85/95/367188595.db2.gz UCGNWYXSXKVFGF-FRRDWIJNSA-N 1 0 227.417 3.605 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000380346502 353332680 /nfs/dbraw/zinc/33/26/80/353332680.db2.gz UCGNWYXSXKVFGF-JHJVBQTASA-N 1 0 227.417 3.605 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000380346508 367188765 /nfs/dbraw/zinc/18/87/65/367188765.db2.gz UCGNWYXSXKVFGF-RWMBFGLXSA-N 1 0 227.417 3.605 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000380346511 367188830 /nfs/dbraw/zinc/18/88/30/367188830.db2.gz UCGNWYXSXKVFGF-YNEHKIRRSA-N 1 0 227.417 3.605 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(SC)CC1 ZINC000380347071 367188811 /nfs/dbraw/zinc/18/88/11/367188811.db2.gz UGGYHWAJXLDSRB-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(SC)CC1 ZINC000380347072 367188341 /nfs/dbraw/zinc/18/83/41/367188341.db2.gz UGGYHWAJXLDSRB-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(SC)CC1 ZINC000380347073 367188802 /nfs/dbraw/zinc/18/88/02/367188802.db2.gz UGGYHWAJXLDSRB-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(SC)CC1 ZINC000380347074 367188799 /nfs/dbraw/zinc/18/87/99/367188799.db2.gz UGGYHWAJXLDSRB-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC1(C)CC1 ZINC000380352498 712892436 /nfs/dbraw/zinc/89/24/36/712892436.db2.gz VRSCDSAQRGZHRT-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC1(C)CC1 ZINC000380352501 712892379 /nfs/dbraw/zinc/89/23/79/712892379.db2.gz VRSCDSAQRGZHRT-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000380352759 712892355 /nfs/dbraw/zinc/89/23/55/712892355.db2.gz VUESEDKQTPNEAG-LLVKDONJSA-N 1 0 231.449 3.932 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000380352760 712892069 /nfs/dbraw/zinc/89/20/69/712892069.db2.gz VUESEDKQTPNEAG-NSHDSACASA-N 1 0 231.449 3.932 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000380356331 344888768 /nfs/dbraw/zinc/88/87/68/344888768.db2.gz WXSKLLUMABBDEE-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000380356333 367190217 /nfs/dbraw/zinc/19/02/17/367190217.db2.gz WXSKLLUMABBDEE-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000380356338 367190085 /nfs/dbraw/zinc/19/00/85/367190085.db2.gz WXSKLLUMABBDEE-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000380356345 367189780 /nfs/dbraw/zinc/18/97/80/367189780.db2.gz WXSKLLUMABBDEE-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO CCCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000380359490 360619011 /nfs/dbraw/zinc/61/90/11/360619011.db2.gz XQTWHFQVVLUEEJ-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC(F)(F)F ZINC000380360263 344891041 /nfs/dbraw/zinc/89/10/41/344891041.db2.gz YCWSJVNTVFKKGF-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC(F)(F)F ZINC000380360279 344890858 /nfs/dbraw/zinc/89/08/58/344890858.db2.gz YCWSJVNTVFKKGF-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC(F)(F)F ZINC000380360280 367192300 /nfs/dbraw/zinc/19/23/00/367192300.db2.gz YCWSJVNTVFKKGF-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC(F)(F)F ZINC000380360281 367191836 /nfs/dbraw/zinc/19/18/36/367191836.db2.gz YCWSJVNTVFKKGF-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000380361179 360635832 /nfs/dbraw/zinc/63/58/32/360635832.db2.gz YOMQOAROOSEDTC-LLVKDONJSA-N 1 0 209.308 3.585 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000380361180 360635258 /nfs/dbraw/zinc/63/52/58/360635258.db2.gz YOMQOAROOSEDTC-NSHDSACASA-N 1 0 209.308 3.585 20 0 BHADRO CCC[C@@H]([NH2+]CC(F)F)C1CCCCC1 ZINC000380361570 538989630 /nfs/dbraw/zinc/98/96/30/538989630.db2.gz YTDVOBHULGBKEU-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H]([NH2+]CC(F)F)C1CCCCC1 ZINC000380361572 538990011 /nfs/dbraw/zinc/99/00/11/538990011.db2.gz YTDVOBHULGBKEU-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)C([NH2+][C@@H]1CCC12CCC2)C(C)C ZINC000380362012 487472455 /nfs/dbraw/zinc/47/24/55/487472455.db2.gz YXYQCTAKIWBKKA-GFCCVEGCSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C([NH2+][C@H]1CCC12CCC2)C(C)C ZINC000380362013 487472365 /nfs/dbraw/zinc/47/23/65/487472365.db2.gz YXYQCTAKIWBKKA-LBPRGKRZSA-N 1 0 209.377 3.589 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000380362258 360755339 /nfs/dbraw/zinc/75/53/39/360755339.db2.gz YYSUWHAARGDZST-CHWSQXEVSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000380362259 360755197 /nfs/dbraw/zinc/75/51/97/360755197.db2.gz YYSUWHAARGDZST-OLZOCXBDSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000380362260 360755380 /nfs/dbraw/zinc/75/53/80/360755380.db2.gz YYSUWHAARGDZST-QWHCGFSZSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000380362261 360755346 /nfs/dbraw/zinc/75/53/46/360755346.db2.gz YYSUWHAARGDZST-STQMWFEESA-N 1 0 227.417 3.607 20 0 BHADRO CC(C)C(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000380362712 367191796 /nfs/dbraw/zinc/19/17/96/367191796.db2.gz ZFOYRWOFZOFKMS-LLVKDONJSA-N 1 0 225.401 3.703 20 0 BHADRO CC(C)C(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000380362713 367192137 /nfs/dbraw/zinc/19/21/37/367192137.db2.gz ZFOYRWOFZOFKMS-NSHDSACASA-N 1 0 225.401 3.703 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc(F)c1 ZINC000380525113 367228404 /nfs/dbraw/zinc/22/84/04/367228404.db2.gz BIOUJDLHSXMBHO-MFKMUULPSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1 ZINC000380525117 349198708 /nfs/dbraw/zinc/19/87/08/349198708.db2.gz BIOUJDLHSXMBHO-ZWNOBZJWSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H]1C ZINC000380526636 712901275 /nfs/dbraw/zinc/90/12/75/712901275.db2.gz BVKFDHNNNAUNCU-GYSYKLTISA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]1C ZINC000380526637 712901241 /nfs/dbraw/zinc/90/12/41/712901241.db2.gz BVKFDHNNNAUNCU-JTNHKYCSSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]1C ZINC000380526643 712901429 /nfs/dbraw/zinc/90/14/29/712901429.db2.gz BVKFDHNNNAUNCU-MISXGVKJSA-N 1 0 237.774 3.659 20 0 BHADRO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@@H]1C ZINC000380526650 712901311 /nfs/dbraw/zinc/90/13/11/712901311.db2.gz BVKFDHNNNAUNCU-WDMOLILDSA-N 1 0 237.774 3.659 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCSC(C)C ZINC000380528403 367229574 /nfs/dbraw/zinc/22/95/74/367229574.db2.gz CKZYKULJGDFZLZ-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCSC(C)C)C1 ZINC000380545901 367236869 /nfs/dbraw/zinc/23/68/69/367236869.db2.gz IJTBIELGBISAAG-GXTWGEPZSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCSC(C)C)C1 ZINC000380545902 356475480 /nfs/dbraw/zinc/47/54/80/356475480.db2.gz IJTBIELGBISAAG-JSGCOSHPSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCSC(C)C)C1 ZINC000380545908 367236642 /nfs/dbraw/zinc/23/66/42/367236642.db2.gz IJTBIELGBISAAG-OCCSQVGLSA-N 1 0 241.444 3.710 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCSC(C)C)C1 ZINC000380545911 367236851 /nfs/dbraw/zinc/23/68/51/367236851.db2.gz IJTBIELGBISAAG-TZMCWYRMSA-N 1 0 241.444 3.710 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(C)c1 ZINC000380552712 356683175 /nfs/dbraw/zinc/68/31/75/356683175.db2.gz KFNKXNKRCOIGRN-CORIIIEPSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(C)c1 ZINC000380552713 356683322 /nfs/dbraw/zinc/68/33/22/356683322.db2.gz KFNKXNKRCOIGRN-OSAQELSMSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(C)c1 ZINC000380552715 356682938 /nfs/dbraw/zinc/68/29/38/356682938.db2.gz KFNKXNKRCOIGRN-WHOFXGATSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c(C)c1 ZINC000380552716 349258019 /nfs/dbraw/zinc/25/80/19/349258019.db2.gz KFNKXNKRCOIGRN-ZLDLUXBVSA-N 1 0 217.356 3.753 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000380559313 367243316 /nfs/dbraw/zinc/24/33/16/367243316.db2.gz LOXJOESWMIAURH-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000380559314 367243038 /nfs/dbraw/zinc/24/30/38/367243038.db2.gz LOXJOESWMIAURH-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC1(C)C ZINC000380578966 367247166 /nfs/dbraw/zinc/24/71/66/367247166.db2.gz PNTSTBKLAJUISY-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC1(C)C ZINC000380578967 367246694 /nfs/dbraw/zinc/24/66/94/367246694.db2.gz PNTSTBKLAJUISY-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C[N@H+]2C[C@H](C)CC2(C)C)cc(C)c1O ZINC000380590227 359407471 /nfs/dbraw/zinc/40/74/71/359407471.db2.gz DAHUBYZVNUQRHP-LLVKDONJSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)cc(C)c1O ZINC000380590232 367248475 /nfs/dbraw/zinc/24/84/75/367248475.db2.gz DAHUBYZVNUQRHP-NSHDSACASA-N 1 0 247.382 3.629 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1F ZINC000380590998 712901929 /nfs/dbraw/zinc/90/19/29/712901929.db2.gz SBVLSHRJKBVPHW-COPLHBTASA-N 1 0 221.319 3.583 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1F ZINC000380590999 712901930 /nfs/dbraw/zinc/90/19/30/712901930.db2.gz SBVLSHRJKBVPHW-MJVIPROJSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1F ZINC000380591003 712901973 /nfs/dbraw/zinc/90/19/73/712901973.db2.gz SBVLSHRJKBVPHW-SUNKGSAMSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1F ZINC000380591005 712901960 /nfs/dbraw/zinc/90/19/60/712901960.db2.gz SBVLSHRJKBVPHW-UHIISALHSA-N 1 0 221.319 3.583 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000380601715 367252236 /nfs/dbraw/zinc/25/22/36/367252236.db2.gz VLQUGNNQLDFCHL-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000380601717 367252747 /nfs/dbraw/zinc/25/27/47/367252747.db2.gz VLQUGNNQLDFCHL-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000380601720 367252711 /nfs/dbraw/zinc/25/27/11/367252711.db2.gz VLQUGNNQLDFCHL-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000380601722 352554432 /nfs/dbraw/zinc/55/44/32/352554432.db2.gz VLQUGNNQLDFCHL-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC2(C)C)c(C)c1 ZINC000380606074 367253596 /nfs/dbraw/zinc/25/35/96/367253596.db2.gz WNYDTMQFCCTWLA-AWEZNQCLSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)c(C)c1 ZINC000380606080 367253574 /nfs/dbraw/zinc/25/35/74/367253574.db2.gz WNYDTMQFCCTWLA-CQSZACIVSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000380611309 367259880 /nfs/dbraw/zinc/25/98/80/367259880.db2.gz YFAVSSNRSGGSDH-MWODSPESSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000380611310 367260111 /nfs/dbraw/zinc/26/01/11/367260111.db2.gz YFAVSSNRSGGSDH-RVBZMBCESA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1Cl ZINC000380611311 367260436 /nfs/dbraw/zinc/26/04/36/367260436.db2.gz YFAVSSNRSGGSDH-VYUIOLGVSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1Cl ZINC000380611312 367259992 /nfs/dbraw/zinc/25/99/92/367259992.db2.gz YFAVSSNRSGGSDH-ZDMBXUJBSA-N 1 0 241.737 3.928 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000380666818 347208990 /nfs/dbraw/zinc/20/89/90/347208990.db2.gz JMZGPOMPHXKAHA-HNNXBMFYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000380666820 347210185 /nfs/dbraw/zinc/21/01/85/347210185.db2.gz JMZGPOMPHXKAHA-OAHLLOKOSA-N 1 0 247.382 3.752 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)n1)CC(C)(C)C ZINC000380668106 712902316 /nfs/dbraw/zinc/90/23/16/712902316.db2.gz AEICNTQNBPSOGY-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000380669718 367276212 /nfs/dbraw/zinc/27/62/12/367276212.db2.gz KTLSGHPLTBXOES-DOMZBBRYSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000380669719 367276456 /nfs/dbraw/zinc/27/64/56/367276456.db2.gz KTLSGHPLTBXOES-IUODEOHRSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000380669720 367276357 /nfs/dbraw/zinc/27/63/57/367276357.db2.gz KTLSGHPLTBXOES-SWLSCSKDSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000380669721 367276303 /nfs/dbraw/zinc/27/63/03/367276303.db2.gz KTLSGHPLTBXOES-WFASDCNBSA-N 1 0 247.382 3.843 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000380671934 347221809 /nfs/dbraw/zinc/22/18/09/347221809.db2.gz BPCGCSHSEQPVST-CYBMUJFWSA-N 1 0 235.396 3.557 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000380671936 347221600 /nfs/dbraw/zinc/22/16/00/347221600.db2.gz BPCGCSHSEQPVST-ZDUSSCGKSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@H]([NH2+]CCCCCCO)c1cccc(C)c1 ZINC000380674711 712902253 /nfs/dbraw/zinc/90/22/53/712902253.db2.gz NFPHHJQVLGHMOA-INIZCTEOSA-N 1 0 249.398 3.588 20 0 BHADRO CC[C@@H]([NH2+]CCCCCCO)c1cccc(C)c1 ZINC000380674713 712902271 /nfs/dbraw/zinc/90/22/71/712902271.db2.gz NFPHHJQVLGHMOA-MRXNPFEDSA-N 1 0 249.398 3.588 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000380690720 367279882 /nfs/dbraw/zinc/27/98/82/367279882.db2.gz IPVWDFOTDFXBBR-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000380690728 367279659 /nfs/dbraw/zinc/27/96/59/367279659.db2.gz IPVWDFOTDFXBBR-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)nc1)CC(C)(C)C ZINC000380701340 712902608 /nfs/dbraw/zinc/90/26/08/712902608.db2.gz KXWLUTWSQGKRFS-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380719391 367285210 /nfs/dbraw/zinc/28/52/10/367285210.db2.gz GMAKREKORHACSF-PESDSKBTSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380719395 367285752 /nfs/dbraw/zinc/28/57/52/367285752.db2.gz GMAKREKORHACSF-ZALBZXLWSA-N 1 0 247.357 3.850 20 0 BHADRO Fc1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000380728869 367286684 /nfs/dbraw/zinc/28/66/84/367286684.db2.gz IOJVJEYJLWHHHG-UHFFFAOYSA-N 1 0 247.357 3.884 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000380736604 712902775 /nfs/dbraw/zinc/90/27/75/712902775.db2.gz JRDSXKSXZIWASH-BBRMVZONSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@H]2CC[C@H]2C)c1 ZINC000380736605 712902735 /nfs/dbraw/zinc/90/27/35/712902735.db2.gz JRDSXKSXZIWASH-CJNGLKHVSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000380736606 712902891 /nfs/dbraw/zinc/90/28/91/712902891.db2.gz JRDSXKSXZIWASH-CZUORRHYSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000380736607 712902800 /nfs/dbraw/zinc/90/28/00/712902800.db2.gz JRDSXKSXZIWASH-XJKSGUPXSA-N 1 0 246.398 3.739 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000380756747 367296872 /nfs/dbraw/zinc/29/68/72/367296872.db2.gz OKUNQXXWPHVPQR-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000380756749 367296910 /nfs/dbraw/zinc/29/69/10/367296910.db2.gz OKUNQXXWPHVPQR-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO c1ccc(CC2CC[NH+](CCC3CC3)CC2)cc1 ZINC000380772242 367300369 /nfs/dbraw/zinc/30/03/69/367300369.db2.gz TXEHQJVCDJUREH-UHFFFAOYSA-N 1 0 243.394 3.741 20 0 BHADRO Cc1cc(F)ccc1C[NH+]1CCCCCC1 ZINC000380776851 347303595 /nfs/dbraw/zinc/30/35/95/347303595.db2.gz ARQLGQQKVRRMDE-UHFFFAOYSA-N 1 0 221.319 3.510 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCSC(C)C)c1 ZINC000380783100 367302331 /nfs/dbraw/zinc/30/23/31/367302331.db2.gz CGCMFWFHYIDSOI-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cs1 ZINC000380788531 367304402 /nfs/dbraw/zinc/30/44/02/367304402.db2.gz DLYIAPSTBYGGKP-MPKXVKKWSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000380788533 367304677 /nfs/dbraw/zinc/30/46/77/367304677.db2.gz DLYIAPSTBYGGKP-SCDSUCTJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000380788536 367304993 /nfs/dbraw/zinc/30/49/93/367304993.db2.gz DLYIAPSTBYGGKP-VHRBIJSZSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cs1 ZINC000380788537 367305390 /nfs/dbraw/zinc/30/53/90/367305390.db2.gz DLYIAPSTBYGGKP-ZKYQVNSYSA-N 1 0 237.412 3.971 20 0 BHADRO CC(C)C1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000380794578 538992889 /nfs/dbraw/zinc/99/28/89/538992889.db2.gz MSRBVSDKBWGNER-UHFFFAOYSA-N 1 0 246.398 3.634 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1F ZINC000380797052 367305130 /nfs/dbraw/zinc/30/51/30/367305130.db2.gz GSNZYDATEBOWHP-GWCFXTLKSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1F ZINC000380797055 367304854 /nfs/dbraw/zinc/30/48/54/367304854.db2.gz GSNZYDATEBOWHP-GXFFZTMASA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1F ZINC000380797057 367304497 /nfs/dbraw/zinc/30/44/97/367304497.db2.gz GSNZYDATEBOWHP-MFKMUULPSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1F ZINC000380797059 367304657 /nfs/dbraw/zinc/30/46/57/367304657.db2.gz GSNZYDATEBOWHP-ZWNOBZJWSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCSC(C)C)C1CC1 ZINC000380802886 367306703 /nfs/dbraw/zinc/30/67/03/367306703.db2.gz HTAKRQRQVVWGOB-AWEZNQCLSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCSC(C)C)C1CC1 ZINC000380802888 367306139 /nfs/dbraw/zinc/30/61/39/367306139.db2.gz HTAKRQRQVVWGOB-CQSZACIVSA-N 1 0 243.460 3.932 20 0 BHADRO Cc1ccc(C[NH2+]CCSC(C)C)cc1C ZINC000380807239 367306398 /nfs/dbraw/zinc/30/63/98/367306398.db2.gz ITTPIVSACQXLLF-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000380813614 347336654 /nfs/dbraw/zinc/33/66/54/347336654.db2.gz KMDXXAUDEYCEAS-GWCFXTLKSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000380813616 347337203 /nfs/dbraw/zinc/33/72/03/347337203.db2.gz KMDXXAUDEYCEAS-GXFFZTMASA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCC2(C)C)s1 ZINC000380813619 347336791 /nfs/dbraw/zinc/33/67/91/347336791.db2.gz KMDXXAUDEYCEAS-MFKMUULPSA-N 1 0 237.412 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC2(C)C)s1 ZINC000380813620 347336626 /nfs/dbraw/zinc/33/66/26/347336626.db2.gz KMDXXAUDEYCEAS-ZWNOBZJWSA-N 1 0 237.412 3.766 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000380835011 367314753 /nfs/dbraw/zinc/31/47/53/367314753.db2.gz RARBGUHRZPDQFT-CHWSQXEVSA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000380835012 367314894 /nfs/dbraw/zinc/31/48/94/367314894.db2.gz RARBGUHRZPDQFT-OLZOCXBDSA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000380835014 367314392 /nfs/dbraw/zinc/31/43/92/367314392.db2.gz RARBGUHRZPDQFT-QWHCGFSZSA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000380835016 367315313 /nfs/dbraw/zinc/31/53/13/367315313.db2.gz RARBGUHRZPDQFT-STQMWFEESA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000380839081 367316889 /nfs/dbraw/zinc/31/68/89/367316889.db2.gz SVLAODYUGIRHTL-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000380839084 367315945 /nfs/dbraw/zinc/31/59/45/367315945.db2.gz SVLAODYUGIRHTL-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000380840799 367316189 /nfs/dbraw/zinc/31/61/89/367316189.db2.gz UGXMNNBOOVSTTN-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000380840810 367317015 /nfs/dbraw/zinc/31/70/15/367317015.db2.gz UGXMNNBOOVSTTN-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000380840812 367316977 /nfs/dbraw/zinc/31/69/77/367316977.db2.gz UGXMNNBOOVSTTN-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000380840813 367316552 /nfs/dbraw/zinc/31/65/52/367316552.db2.gz UGXMNNBOOVSTTN-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000380885055 710593206 /nfs/dbraw/zinc/59/32/06/710593206.db2.gz AIQBFRFUSGBZNY-JCYILVPMSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000380885056 710593397 /nfs/dbraw/zinc/59/33/97/710593397.db2.gz AIQBFRFUSGBZNY-OFLPRAFFSA-N 1 0 243.394 3.788 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000380979096 367330319 /nfs/dbraw/zinc/33/03/19/367330319.db2.gz ARAVZSNUUGNNIB-HZSPNIEDSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000380979098 367329834 /nfs/dbraw/zinc/32/98/34/367329834.db2.gz ARAVZSNUUGNNIB-IHRRRGAJSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000380979099 367330793 /nfs/dbraw/zinc/33/07/93/367330793.db2.gz ARAVZSNUUGNNIB-MELADBBJSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000380979100 367330301 /nfs/dbraw/zinc/33/03/01/367330301.db2.gz ARAVZSNUUGNNIB-RDBSUJKOSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)CC[NH2+]C1(C)CCC(F)(F)CC1 ZINC000380985629 538993704 /nfs/dbraw/zinc/99/37/04/538993704.db2.gz BTHDZYUDHNCMKG-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(Cl)n1 ZINC000380987196 710596641 /nfs/dbraw/zinc/59/66/41/710596641.db2.gz DHZSWAGUAOOLOY-LLVKDONJSA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccc(Cl)n1 ZINC000380987205 710597593 /nfs/dbraw/zinc/59/75/93/710597593.db2.gz DHZSWAGUAOOLOY-NSHDSACASA-N 1 0 240.778 3.746 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000381005754 367333323 /nfs/dbraw/zinc/33/33/23/367333323.db2.gz OSKGUMSVPNWLAU-XABYNWHXSA-N 1 0 245.366 3.534 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000381012723 350375702 /nfs/dbraw/zinc/37/57/02/350375702.db2.gz ABCTUYDLEIHORP-NEPJUHHUSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381012724 350375779 /nfs/dbraw/zinc/37/57/79/350375779.db2.gz ABCTUYDLEIHORP-NWDGAFQWSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000381012726 350380742 /nfs/dbraw/zinc/38/07/42/350380742.db2.gz ABCTUYDLEIHORP-RYUDHWBXSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381012728 350380731 /nfs/dbraw/zinc/38/07/31/350380731.db2.gz ABCTUYDLEIHORP-VXGBXAGGSA-N 1 0 243.460 3.932 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000381022343 538993700 /nfs/dbraw/zinc/99/37/00/538993700.db2.gz AMTONIALKITZSG-LLVKDONJSA-N 1 0 245.700 3.617 20 0 BHADRO FC1(F)CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000381022345 538993999 /nfs/dbraw/zinc/99/39/99/538993999.db2.gz AMTONIALKITZSG-NSHDSACASA-N 1 0 245.700 3.617 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381022678 367336247 /nfs/dbraw/zinc/33/62/47/367336247.db2.gz ARADZMRESNCWPC-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381022679 367337034 /nfs/dbraw/zinc/33/70/34/367337034.db2.gz ARADZMRESNCWPC-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381022680 367336910 /nfs/dbraw/zinc/33/69/10/367336910.db2.gz ARADZMRESNCWPC-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381022681 367336530 /nfs/dbraw/zinc/33/65/30/367336530.db2.gz ARADZMRESNCWPC-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381023289 710597166 /nfs/dbraw/zinc/59/71/66/710597166.db2.gz AUIAMYPPAUVUKJ-JMCQJSRRSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381023291 710597891 /nfs/dbraw/zinc/59/78/91/710597891.db2.gz AUIAMYPPAUVUKJ-JVXZTZIISA-N 1 0 245.700 3.506 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381023292 710597137 /nfs/dbraw/zinc/59/71/37/710597137.db2.gz AUIAMYPPAUVUKJ-KRTXAFLBSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381023293 710597408 /nfs/dbraw/zinc/59/74/08/710597408.db2.gz AUIAMYPPAUVUKJ-MADCSZMMSA-N 1 0 245.700 3.506 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000381030969 538993734 /nfs/dbraw/zinc/99/37/34/538993734.db2.gz AIGSSTJDOLSDAD-KBPBESRZSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000381030971 538994269 /nfs/dbraw/zinc/99/42/69/538994269.db2.gz AIGSSTJDOLSDAD-KGLIPLIRSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000381030980 538994080 /nfs/dbraw/zinc/99/40/80/538994080.db2.gz AIGSSTJDOLSDAD-UONOGXRCSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000381030984 538994129 /nfs/dbraw/zinc/99/41/29/538994129.db2.gz AIGSSTJDOLSDAD-ZIAGYGMSSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000381034894 538994783 /nfs/dbraw/zinc/99/47/83/538994783.db2.gz BBCOHPHGWYTSSM-NEPJUHHUSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000381034896 538994288 /nfs/dbraw/zinc/99/42/88/538994288.db2.gz BBCOHPHGWYTSSM-NWDGAFQWSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000381034898 538994726 /nfs/dbraw/zinc/99/47/26/538994726.db2.gz BBCOHPHGWYTSSM-RYUDHWBXSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000381034905 538994485 /nfs/dbraw/zinc/99/44/85/538994485.db2.gz BBCOHPHGWYTSSM-VXGBXAGGSA-N 1 0 231.330 3.899 20 0 BHADRO C[C@@]12C[C@@H]1CCC[C@H]2[NH2+]CC1CC(C)(C)C1 ZINC000381035023 343823478 /nfs/dbraw/zinc/82/34/78/343823478.db2.gz BDDSLBVJWCLVTP-GZBFAFLISA-N 1 0 221.388 3.591 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CC(C)(C)C1 ZINC000381035024 343823681 /nfs/dbraw/zinc/82/36/81/343823681.db2.gz BDDSLBVJWCLVTP-NFAWXSAZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381035046 343823433 /nfs/dbraw/zinc/82/34/33/343823433.db2.gz CLNQVNIAEJUQHI-CHWSQXEVSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381035047 343823551 /nfs/dbraw/zinc/82/35/51/343823551.db2.gz CLNQVNIAEJUQHI-OLZOCXBDSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381035048 343823666 /nfs/dbraw/zinc/82/36/66/343823666.db2.gz CLNQVNIAEJUQHI-QWHCGFSZSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381035050 343823611 /nfs/dbraw/zinc/82/36/11/343823611.db2.gz CLNQVNIAEJUQHI-STQMWFEESA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000381036209 343829033 /nfs/dbraw/zinc/82/90/33/343829033.db2.gz CSLKVISSOCWXLN-KBPBESRZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000381036210 343829645 /nfs/dbraw/zinc/82/96/45/343829645.db2.gz CSLKVISSOCWXLN-KGLIPLIRSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCCF ZINC000381036212 343829627 /nfs/dbraw/zinc/82/96/27/343829627.db2.gz CSLKVISSOCWXLN-UONOGXRCSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCCF ZINC000381036213 343829792 /nfs/dbraw/zinc/82/97/92/343829792.db2.gz CSLKVISSOCWXLN-ZIAGYGMSSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(C(F)F)C1 ZINC000381036793 710598707 /nfs/dbraw/zinc/59/87/07/710598707.db2.gz CUWGMKSUDOCVMM-KPPDAEKUSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(C(F)F)C1 ZINC000381036794 710598602 /nfs/dbraw/zinc/59/86/02/710598602.db2.gz CUWGMKSUDOCVMM-WHXUTIOJSA-N 1 0 233.346 3.835 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCC(C)C)cc1 ZINC000381040103 367340776 /nfs/dbraw/zinc/34/07/76/367340776.db2.gz CCIAPQFYDUXGOB-AWEZNQCLSA-N 1 0 219.372 3.734 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCC(C)C)cc1 ZINC000381040108 367340789 /nfs/dbraw/zinc/34/07/89/367340789.db2.gz CCIAPQFYDUXGOB-CQSZACIVSA-N 1 0 219.372 3.734 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CC1 ZINC000381040151 343869266 /nfs/dbraw/zinc/86/92/66/343869266.db2.gz DMRRISNKUGOURK-IHRRRGAJSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CC1 ZINC000381040153 343869188 /nfs/dbraw/zinc/86/91/88/343869188.db2.gz DMRRISNKUGOURK-MCIONIFRSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CC1 ZINC000381040154 343869128 /nfs/dbraw/zinc/86/91/28/343869128.db2.gz DMRRISNKUGOURK-MJBXVCDLSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CC1 ZINC000381040156 343869104 /nfs/dbraw/zinc/86/91/04/343869104.db2.gz DMRRISNKUGOURK-RDBSUJKOSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000381044630 343886334 /nfs/dbraw/zinc/88/63/34/343886334.db2.gz CYYBZWKTEJABAV-BZPMIXESSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000381044671 367341244 /nfs/dbraw/zinc/34/12/44/367341244.db2.gz CYYBZWKTEJABAV-DYEKYZERSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000381044673 367341292 /nfs/dbraw/zinc/34/12/92/367341292.db2.gz CYYBZWKTEJABAV-MBNYWOFBSA-N 1 0 217.356 3.772 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000381044684 367340782 /nfs/dbraw/zinc/34/07/82/367340782.db2.gz CYYBZWKTEJABAV-YRGRVCCFSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCC2CC2)CS1 ZINC000381045312 367342708 /nfs/dbraw/zinc/34/27/08/367342708.db2.gz FNCMYNSZQHVRSI-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC2CC2)CS1 ZINC000381045317 343887501 /nfs/dbraw/zinc/88/75/01/343887501.db2.gz FNCMYNSZQHVRSI-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCC2CC2)CS1 ZINC000381045320 367342813 /nfs/dbraw/zinc/34/28/13/367342813.db2.gz FNCMYNSZQHVRSI-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC2CC2)CS1 ZINC000381045322 367342107 /nfs/dbraw/zinc/34/21/07/367342107.db2.gz FNCMYNSZQHVRSI-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)=CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381045434 367341990 /nfs/dbraw/zinc/34/19/90/367341990.db2.gz FNWJZIDNZLPHIG-UHFFFAOYSA-N 1 0 235.758 3.885 20 0 BHADRO CC(C)C([NH2+]Cc1ccncc1Cl)C(C)C ZINC000381045898 538994666 /nfs/dbraw/zinc/99/46/66/538994666.db2.gz FOQWCJLBNXSVAB-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CC(C)C[C@H]([NH2+]C/C=C/Cl)c1ccccn1 ZINC000381046075 710600154 /nfs/dbraw/zinc/60/01/54/710600154.db2.gz FQMOUGOHHZUFCX-IYNGYCSASA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@@H]([NH2+]C/C=C\Cl)c1ccccn1 ZINC000381046079 710600055 /nfs/dbraw/zinc/60/00/55/710600055.db2.gz FQMOUGOHHZUFCX-SCXUMTSISA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@H]([NH2+]C/C=C\Cl)c1ccccn1 ZINC000381046081 710600174 /nfs/dbraw/zinc/60/01/74/710600174.db2.gz FQMOUGOHHZUFCX-VGVVRCBHSA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@@H]([NH2+]C/C=C/Cl)c1ccccn1 ZINC000381046088 710599619 /nfs/dbraw/zinc/59/96/19/710599619.db2.gz FQMOUGOHHZUFCX-VUDGCMKMSA-N 1 0 238.762 3.511 20 0 BHADRO CC1(C[NH2+]C2CC(F)(F)C2)CCCCCC1 ZINC000381046391 343891175 /nfs/dbraw/zinc/89/11/75/343891175.db2.gz DJCFGRHWJSXONJ-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO C[C@H](CNc1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC000381051898 538994656 /nfs/dbraw/zinc/99/46/56/538994656.db2.gz RHVUKUJORYSWMV-CYBMUJFWSA-N 1 0 248.414 3.842 20 0 BHADRO C[C@@H](CNc1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC000381051901 538994750 /nfs/dbraw/zinc/99/47/50/538994750.db2.gz RHVUKUJORYSWMV-ZDUSSCGKSA-N 1 0 248.414 3.842 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000381072986 367346639 /nfs/dbraw/zinc/34/66/39/367346639.db2.gz DDCCLXNQPRZXJV-WXYCVUISSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(F)c(Cl)c1 ZINC000381078593 343940920 /nfs/dbraw/zinc/94/09/20/343940920.db2.gz QTUVQHXGFFAHBW-SECBINFHSA-N 1 0 247.716 3.879 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(F)c(Cl)c1 ZINC000381078598 343940841 /nfs/dbraw/zinc/94/08/41/343940841.db2.gz QTUVQHXGFFAHBW-VIFPVBQESA-N 1 0 247.716 3.879 20 0 BHADRO CCSCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381085227 367348724 /nfs/dbraw/zinc/34/87/24/367348724.db2.gz SQBFYZSNMRJQRV-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CCSCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381085254 367349136 /nfs/dbraw/zinc/34/91/36/367349136.db2.gz SQBFYZSNMRJQRV-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO Cc1ccoc1C[NH2+]CC1CCCCCC1 ZINC000381094420 367350397 /nfs/dbraw/zinc/35/03/97/367350397.db2.gz WCCWYHRNJXEAPM-UHFFFAOYSA-N 1 0 221.344 3.648 20 0 BHADRO CCC[N@@H+](Cc1ccnc(Cl)c1)CC(C)C ZINC000381101201 711512383 /nfs/dbraw/zinc/51/23/83/711512383.db2.gz XWPDPBANBUGRKV-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cccc(C)c1)OC ZINC000381101586 367349951 /nfs/dbraw/zinc/34/99/51/367349951.db2.gz AKONJRLYVFOBQM-DZKIICNBSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cccc(C)c1)OC ZINC000381101593 367350323 /nfs/dbraw/zinc/35/03/23/367350323.db2.gz AKONJRLYVFOBQM-LZWOXQAQSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cccc(C)c1)OC ZINC000381101594 367350875 /nfs/dbraw/zinc/35/08/75/367350875.db2.gz AKONJRLYVFOBQM-OFQRWUPVSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cccc(C)c1)OC ZINC000381101596 367350750 /nfs/dbraw/zinc/35/07/50/367350750.db2.gz AKONJRLYVFOBQM-SQWLQELKSA-N 1 0 249.398 3.707 20 0 BHADRO Cc1cc(C[NH2+]CCSC(C)(C)C)cs1 ZINC000381102230 710602002 /nfs/dbraw/zinc/60/20/02/710602002.db2.gz AQCKKNCTFOBYAP-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381114717 343984580 /nfs/dbraw/zinc/98/45/80/343984580.db2.gz GUVIXFLSMTWNJY-LLVKDONJSA-N 1 0 237.412 3.761 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381114719 343984656 /nfs/dbraw/zinc/98/46/56/343984656.db2.gz GUVIXFLSMTWNJY-NSHDSACASA-N 1 0 237.412 3.761 20 0 BHADRO CC(C)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000381117008 398193330 /nfs/dbraw/zinc/19/33/30/398193330.db2.gz HOKYQFVMBRWPSF-CABCVRRESA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000381117010 398193232 /nfs/dbraw/zinc/19/32/32/398193232.db2.gz HOKYQFVMBRWPSF-GJZGRUSLSA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000381117013 398193441 /nfs/dbraw/zinc/19/34/41/398193441.db2.gz HOKYQFVMBRWPSF-HUUCEWRRSA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000381117014 398193464 /nfs/dbraw/zinc/19/34/64/398193464.db2.gz HOKYQFVMBRWPSF-LSDHHAIUSA-N 1 0 217.356 3.711 20 0 BHADRO CC(C)c1nc(C[NH2+][C@@H]2CCC2(C)C)cs1 ZINC000381118686 367353073 /nfs/dbraw/zinc/35/30/73/367353073.db2.gz HZGODUIHRDVPBM-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1nc(C[NH2+][C@H]2CCC2(C)C)cs1 ZINC000381118698 367353137 /nfs/dbraw/zinc/35/31/37/367353137.db2.gz HZGODUIHRDVPBM-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO C([NH2+]C1CCC2(CCCCC2)CC1)C1CC1 ZINC000381119082 367353669 /nfs/dbraw/zinc/35/36/69/367353669.db2.gz IDTQAJPYAAVNLC-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc(C)c1C ZINC000381120276 367353240 /nfs/dbraw/zinc/35/32/40/367353240.db2.gz IJLHMQVEBYFTDV-UHFFFAOYSA-N 1 0 217.356 3.749 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000381125456 538994909 /nfs/dbraw/zinc/99/49/09/538994909.db2.gz JIQJNCYRHAXIKH-CHWSQXEVSA-N 1 0 218.344 3.545 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000381125462 538995358 /nfs/dbraw/zinc/99/53/58/538995358.db2.gz JIQJNCYRHAXIKH-OLZOCXBDSA-N 1 0 218.344 3.545 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000381125480 538995173 /nfs/dbraw/zinc/99/51/73/538995173.db2.gz JIQJNCYRHAXIKH-QWHCGFSZSA-N 1 0 218.344 3.545 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000381125493 538995101 /nfs/dbraw/zinc/99/51/01/538995101.db2.gz JIQJNCYRHAXIKH-STQMWFEESA-N 1 0 218.344 3.545 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCCF)C[C@@H]1C ZINC000381125680 367353168 /nfs/dbraw/zinc/35/31/68/367353168.db2.gz JJNFHHQSWOGDSF-IHRRRGAJSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCCF)C[C@H]1C ZINC000381125683 343988302 /nfs/dbraw/zinc/98/83/02/343988302.db2.gz JJNFHHQSWOGDSF-MCIONIFRSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCCF)C[C@@H]1C ZINC000381125684 343988394 /nfs/dbraw/zinc/98/83/94/343988394.db2.gz JJNFHHQSWOGDSF-MJBXVCDLSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCCF)C[C@H]1C ZINC000381125693 355837629 /nfs/dbraw/zinc/83/76/29/355837629.db2.gz JJNFHHQSWOGDSF-RDBSUJKOSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000381127013 367352897 /nfs/dbraw/zinc/35/28/97/367352897.db2.gz JQECZYDMXOIINU-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000381129057 384265808 /nfs/dbraw/zinc/26/58/08/384265808.db2.gz KEWJNFHWOAOHLK-LLVKDONJSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000381129061 384265790 /nfs/dbraw/zinc/26/57/90/384265790.db2.gz KEWJNFHWOAOHLK-NSHDSACASA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)([NH2+]C[Si](C)(C)C)c1ccc(F)cc1 ZINC000381129676 710603668 /nfs/dbraw/zinc/60/36/68/710603668.db2.gz KJGIVIPVHKZGEB-UHFFFAOYSA-N 1 0 239.410 3.528 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000381130756 367354856 /nfs/dbraw/zinc/35/48/56/367354856.db2.gz KQHFHDURGKORPG-CABCVRRESA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000381130768 367354440 /nfs/dbraw/zinc/35/44/40/367354440.db2.gz KQHFHDURGKORPG-GJZGRUSLSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000381130770 367354457 /nfs/dbraw/zinc/35/44/57/367354457.db2.gz KQHFHDURGKORPG-HUUCEWRRSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000381130779 367355139 /nfs/dbraw/zinc/35/51/39/367355139.db2.gz KQHFHDURGKORPG-LSDHHAIUSA-N 1 0 221.388 3.901 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)cc1F ZINC000381132482 344001231 /nfs/dbraw/zinc/00/12/31/344001231.db2.gz LAQMOUIOOHUKRN-UHFFFAOYSA-N 1 0 223.335 3.658 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCCF)c1ccoc1 ZINC000381134156 344002271 /nfs/dbraw/zinc/00/22/71/344002271.db2.gz LJYVIRRYVYIYND-CYBMUJFWSA-N 1 0 227.323 3.706 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCCF)c1ccoc1 ZINC000381134157 344002370 /nfs/dbraw/zinc/00/23/70/344002370.db2.gz LJYVIRRYVYIYND-ZDUSSCGKSA-N 1 0 227.323 3.706 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1)OC ZINC000381138130 367355049 /nfs/dbraw/zinc/35/50/49/367355049.db2.gz IQKPQJOBMPNXEW-DZKIICNBSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1)OC ZINC000381138582 410042035 /nfs/dbraw/zinc/04/20/35/410042035.db2.gz IQKPQJOBMPNXEW-LZWOXQAQSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1)OC ZINC000381138583 410041696 /nfs/dbraw/zinc/04/16/96/410041696.db2.gz IQKPQJOBMPNXEW-OFQRWUPVSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1)OC ZINC000381138584 410041853 /nfs/dbraw/zinc/04/18/53/410041853.db2.gz IQKPQJOBMPNXEW-SQWLQELKSA-N 1 0 249.398 3.707 20 0 BHADRO CC(C)C1CCC([NH2+]C(C)(C)C(F)F)CC1 ZINC000381139911 538995351 /nfs/dbraw/zinc/99/53/51/538995351.db2.gz MIZPNGGEPCJKGU-UHFFFAOYSA-N 1 0 233.346 3.835 20 0 BHADRO C(CC1CC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000381141475 384307581 /nfs/dbraw/zinc/30/75/81/384307581.db2.gz MSTDAECDNPAOIQ-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(CC1CC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381141904 367356869 /nfs/dbraw/zinc/35/68/69/367356869.db2.gz MSTDAECDNPAOIQ-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000381143351 367356051 /nfs/dbraw/zinc/35/60/51/367356051.db2.gz NAVAZNOMQZYMQQ-AWEZNQCLSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000381143353 367356133 /nfs/dbraw/zinc/35/61/33/367356133.db2.gz NAVAZNOMQZYMQQ-CQSZACIVSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000381143871 367356118 /nfs/dbraw/zinc/35/61/18/367356118.db2.gz NEOFYJGRZCWQTB-UHFFFAOYSA-N 1 0 241.737 3.665 20 0 BHADRO CC(C)CC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000381146993 631262806 /nfs/dbraw/zinc/26/28/06/631262806.db2.gz NZPXWKKDKTYXEG-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COC(C)C)s1 ZINC000381152297 710605553 /nfs/dbraw/zinc/60/55/53/710605553.db2.gz PHDVOZZTIYVKPZ-CMPLNLGQSA-N 1 0 241.400 3.521 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COC(C)C)s1 ZINC000381152298 710605824 /nfs/dbraw/zinc/60/58/24/710605824.db2.gz PHDVOZZTIYVKPZ-JQWIXIFHSA-N 1 0 241.400 3.521 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)COC(C)C)s1 ZINC000381152304 710605774 /nfs/dbraw/zinc/60/57/74/710605774.db2.gz PHDVOZZTIYVKPZ-PWSUYJOCSA-N 1 0 241.400 3.521 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COC(C)C)s1 ZINC000381152310 710605399 /nfs/dbraw/zinc/60/53/99/710605399.db2.gz PHDVOZZTIYVKPZ-ZYHUDNBSSA-N 1 0 241.400 3.521 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC(C)(C)C1)C(F)(F)F ZINC000381152839 367355965 /nfs/dbraw/zinc/35/59/65/367355965.db2.gz PIPBZYGMAGTSMF-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC(C)(C)C1)C(F)(F)F ZINC000381152840 367355960 /nfs/dbraw/zinc/35/59/60/367355960.db2.gz PIPBZYGMAGTSMF-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381158033 367357801 /nfs/dbraw/zinc/35/78/01/367357801.db2.gz QQCPXEWTQILZDV-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381158035 367357804 /nfs/dbraw/zinc/35/78/04/367357804.db2.gz QQCPXEWTQILZDV-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381158039 367357840 /nfs/dbraw/zinc/35/78/40/367357840.db2.gz QQCPXEWTQILZDV-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381158040 367357652 /nfs/dbraw/zinc/35/76/52/367357652.db2.gz QQCPXEWTQILZDV-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C1CCC(F)(F)CC1 ZINC000381158264 367357699 /nfs/dbraw/zinc/35/76/99/367357699.db2.gz QTTYROQLCBFYQS-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C1CCC(F)(F)CC1 ZINC000381158266 367357554 /nfs/dbraw/zinc/35/75/54/367357554.db2.gz QTTYROQLCBFYQS-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381162602 367357497 /nfs/dbraw/zinc/35/74/97/367357497.db2.gz RRGYGWWIDIPYPM-KPPDAEKUSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381162605 344072882 /nfs/dbraw/zinc/07/28/82/344072882.db2.gz RRGYGWWIDIPYPM-WHXUTIOJSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000381167087 710607041 /nfs/dbraw/zinc/60/70/41/710607041.db2.gz SPGBLSHHTVCVHA-JTQLQIEISA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@H](C)C2(C)CC2)s1 ZINC000381167091 710607159 /nfs/dbraw/zinc/60/71/59/710607159.db2.gz SPGBLSHHTVCVHA-SNVBAGLBSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1cc(C[NH2+]C(C(C)C)C(C)C)cs1 ZINC000381170691 398230261 /nfs/dbraw/zinc/23/02/61/398230261.db2.gz CCXPJXYWMABLOL-UHFFFAOYSA-N 1 0 225.401 3.827 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1ccccc1F ZINC000381173005 344102758 /nfs/dbraw/zinc/10/27/58/344102758.db2.gz UOMBBSKMLIAATP-UHFFFAOYSA-N 1 0 221.319 3.617 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000381173578 344105032 /nfs/dbraw/zinc/10/50/32/344105032.db2.gz URBJSZCTOUSRPZ-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000381173584 344104525 /nfs/dbraw/zinc/10/45/25/344104525.db2.gz URBJSZCTOUSRPZ-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CC1(C[NH2+]CCc2ccc(Cl)cc2)CCC1 ZINC000381174996 344107719 /nfs/dbraw/zinc/10/77/19/344107719.db2.gz UZMUFJIBQIWBTB-UHFFFAOYSA-N 1 0 237.774 3.662 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000381177295 538995574 /nfs/dbraw/zinc/99/55/74/538995574.db2.gz VKRBNQUXIUJJTL-GHMZBOCLSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000381177297 538995462 /nfs/dbraw/zinc/99/54/62/538995462.db2.gz VKRBNQUXIUJJTL-MNOVXSKESA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000381177300 538995711 /nfs/dbraw/zinc/99/57/11/538995711.db2.gz VKRBNQUXIUJJTL-QWRGUYRKSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000381177302 538995567 /nfs/dbraw/zinc/99/55/67/538995567.db2.gz VKRBNQUXIUJJTL-WDEREUQCSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000381179198 367359981 /nfs/dbraw/zinc/35/99/81/367359981.db2.gz VVBJYOKTHQJSNL-HZSPNIEDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000381179202 367359665 /nfs/dbraw/zinc/35/96/65/367359665.db2.gz VVBJYOKTHQJSNL-IHRRRGAJSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000381179203 367359851 /nfs/dbraw/zinc/35/98/51/367359851.db2.gz VVBJYOKTHQJSNL-MELADBBJSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000381179204 367359840 /nfs/dbraw/zinc/35/98/40/367359840.db2.gz VVBJYOKTHQJSNL-RDBSUJKOSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1csc(C2CC2)n1 ZINC000381179970 367360638 /nfs/dbraw/zinc/36/06/38/367360638.db2.gz VZYYWTSDVVRBIB-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CC[N@H+](CCC(=O)c1ccccc1)CC(C)(C)C ZINC000381180065 344122736 /nfs/dbraw/zinc/12/27/36/344122736.db2.gz QLUTYRWTIWJJLB-UHFFFAOYSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000381181156 710606422 /nfs/dbraw/zinc/60/64/22/710606422.db2.gz WLDWBEVKFJQCOS-JTQLQIEISA-N 1 0 240.778 3.507 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000381181157 710607121 /nfs/dbraw/zinc/60/71/21/710607121.db2.gz WLDWBEVKFJQCOS-SNVBAGLBSA-N 1 0 240.778 3.507 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000381181988 710607250 /nfs/dbraw/zinc/60/72/50/710607250.db2.gz WRZRFWFOHFQLBM-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000381181992 710606611 /nfs/dbraw/zinc/60/66/11/710606611.db2.gz WRZRFWFOHFQLBM-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)(C)C)cs1 ZINC000381183456 367360511 /nfs/dbraw/zinc/36/05/11/367360511.db2.gz RPRWUAIGKMWQAD-UHFFFAOYSA-N 1 0 225.401 3.972 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000381184542 344131339 /nfs/dbraw/zinc/13/13/39/344131339.db2.gz XEZSORPZTPMZBT-MQYQWHSLSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000381184545 367360237 /nfs/dbraw/zinc/36/02/37/367360237.db2.gz XEZSORPZTPMZBT-RFGFWPKPSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000381184547 367360074 /nfs/dbraw/zinc/36/00/74/367360074.db2.gz XEZSORPZTPMZBT-YIYPIFLZSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000381184555 367360507 /nfs/dbraw/zinc/36/05/07/367360507.db2.gz XEZSORPZTPMZBT-ZOBORPQBSA-N 1 0 227.367 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C(C(C)C)C(C)C)s1 ZINC000381191674 538996178 /nfs/dbraw/zinc/99/61/78/538996178.db2.gz YWSOIMGELRQZEY-JTQLQIEISA-N 1 0 240.416 3.783 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C(C(C)C)C(C)C)s1 ZINC000381191677 538996013 /nfs/dbraw/zinc/99/60/13/538996013.db2.gz YWSOIMGELRQZEY-SNVBAGLBSA-N 1 0 240.416 3.783 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CS1 ZINC000381194098 367361047 /nfs/dbraw/zinc/36/10/47/367361047.db2.gz ZNMYKWQFNLOJQX-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CS1 ZINC000381194100 367361162 /nfs/dbraw/zinc/36/11/62/367361162.db2.gz ZNMYKWQFNLOJQX-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CS1 ZINC000381194101 367361512 /nfs/dbraw/zinc/36/15/12/367361512.db2.gz ZNMYKWQFNLOJQX-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CS1 ZINC000381194102 367362007 /nfs/dbraw/zinc/36/20/07/367362007.db2.gz ZNMYKWQFNLOJQX-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000381195933 367361183 /nfs/dbraw/zinc/36/11/83/367361183.db2.gz ZWWJPABKQUHJDK-DMDPSCGWSA-N 1 0 237.774 3.689 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000381195937 367360965 /nfs/dbraw/zinc/36/09/65/367360965.db2.gz ZWWJPABKQUHJDK-LOWVWBTDSA-N 1 0 237.774 3.689 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000381195940 367361137 /nfs/dbraw/zinc/36/11/37/367361137.db2.gz ZWWJPABKQUHJDK-NQBHXWOUSA-N 1 0 237.774 3.689 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000381195947 367361394 /nfs/dbraw/zinc/36/13/94/367361394.db2.gz ZWWJPABKQUHJDK-WZRBSPASSA-N 1 0 237.774 3.689 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000381196229 344173498 /nfs/dbraw/zinc/17/34/98/344173498.db2.gz AFBVFVCLQBBVCS-REBRKWNGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000381196230 344173318 /nfs/dbraw/zinc/17/33/18/344173318.db2.gz AFBVFVCLQBBVCS-RZFFKMDDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000381196235 344173259 /nfs/dbraw/zinc/17/32/59/344173259.db2.gz AFBVFVCLQBBVCS-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000381196239 344173408 /nfs/dbraw/zinc/17/34/08/344173408.db2.gz AFBVFVCLQBBVCS-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000381196287 344173399 /nfs/dbraw/zinc/17/33/99/344173399.db2.gz DRRFWFXGUTYGKC-LLVKDONJSA-N 1 0 223.360 3.983 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000381196296 344174165 /nfs/dbraw/zinc/17/41/65/344174165.db2.gz DRRFWFXGUTYGKC-NSHDSACASA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc(C[NH2+]C/C=C/c2ccccc2)cs1 ZINC000381196952 367361306 /nfs/dbraw/zinc/36/13/06/367361306.db2.gz VEUVYYDMKSQGIH-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO Cc1cc(C[NH2+]C/C=C\c2ccccc2)cs1 ZINC000381196955 367361010 /nfs/dbraw/zinc/36/10/10/367361010.db2.gz VEUVYYDMKSQGIH-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000381197860 367363133 /nfs/dbraw/zinc/36/31/33/367363133.db2.gz DXFHHOGBFOCQBU-NEPJUHHUSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000381197863 367363455 /nfs/dbraw/zinc/36/34/55/367363455.db2.gz DXFHHOGBFOCQBU-NWDGAFQWSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000381197866 367362626 /nfs/dbraw/zinc/36/26/26/367362626.db2.gz DXFHHOGBFOCQBU-RYUDHWBXSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000381197867 367362731 /nfs/dbraw/zinc/36/27/31/367362731.db2.gz DXFHHOGBFOCQBU-VXGBXAGGSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC(C)C)oc1C ZINC000381198720 367363087 /nfs/dbraw/zinc/36/30/87/367363087.db2.gz AQPAELZCZUFZLT-GFCCVEGCSA-N 1 0 223.360 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC(C)C)oc1C ZINC000381198723 367363258 /nfs/dbraw/zinc/36/32/58/367363258.db2.gz AQPAELZCZUFZLT-LBPRGKRZSA-N 1 0 223.360 3.983 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000381199412 367363398 /nfs/dbraw/zinc/36/33/98/367363398.db2.gz ARZVHCTXALLNFN-CHWSQXEVSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000381199414 367362832 /nfs/dbraw/zinc/36/28/32/367362832.db2.gz ARZVHCTXALLNFN-OLZOCXBDSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000381199415 367362877 /nfs/dbraw/zinc/36/28/77/367362877.db2.gz ARZVHCTXALLNFN-QWHCGFSZSA-N 1 0 229.383 3.931 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000381199417 367363291 /nfs/dbraw/zinc/36/32/91/367363291.db2.gz ARZVHCTXALLNFN-STQMWFEESA-N 1 0 229.383 3.931 20 0 BHADRO CCCC[NH2+]CCCSc1ccc(F)cc1 ZINC000381200075 710608521 /nfs/dbraw/zinc/60/85/21/710608521.db2.gz BZDPERCRXFLQOK-UHFFFAOYSA-N 1 0 241.375 3.698 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381200907 344186640 /nfs/dbraw/zinc/18/66/40/344186640.db2.gz BRORJAVTCOSHFX-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000381200915 367362738 /nfs/dbraw/zinc/36/27/38/367362738.db2.gz BRORJAVTCOSHFX-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381200916 367362903 /nfs/dbraw/zinc/36/29/03/367362903.db2.gz BRORJAVTCOSHFX-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000381200921 367363140 /nfs/dbraw/zinc/36/31/40/367363140.db2.gz BRORJAVTCOSHFX-RDBSUJKOSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H](C[NH2+]C1CCSCC1)C1CCCCC1 ZINC000381203837 344484619 /nfs/dbraw/zinc/48/46/19/344484619.db2.gz FSFYBAQLLUZSAK-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](C[NH2+]C1CCSCC1)C1CCCCC1 ZINC000381203838 344484499 /nfs/dbraw/zinc/48/44/99/344484499.db2.gz FSFYBAQLLUZSAK-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CC1(C)CC1 ZINC000381205565 710609650 /nfs/dbraw/zinc/60/96/50/710609650.db2.gz GFOWJQKZHZOIOJ-UHFFFAOYSA-N 1 0 217.356 3.700 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CCC(C)(C)C1 ZINC000381206454 344193200 /nfs/dbraw/zinc/19/32/00/344193200.db2.gz GIXHAAADKSSXFR-COMQUAJESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@]12C[C@@H]1CCC[C@H]2[NH2+][C@H]1CCC(C)(C)C1 ZINC000381206457 344193123 /nfs/dbraw/zinc/19/31/23/344193123.db2.gz GIXHAAADKSSXFR-RMRHIDDWSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(Cl)c(F)c1 ZINC000381207978 384895229 /nfs/dbraw/zinc/89/52/29/384895229.db2.gz DENOYDHFCURGGG-SECBINFHSA-N 1 0 247.716 3.879 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(Cl)c(F)c1 ZINC000381207981 384895036 /nfs/dbraw/zinc/89/50/36/384895036.db2.gz DENOYDHFCURGGG-VIFPVBQESA-N 1 0 247.716 3.879 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCOC(C)(C)C ZINC000381208042 367364672 /nfs/dbraw/zinc/36/46/72/367364672.db2.gz GPQVSAUZEVLZNF-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCOC(C)(C)C ZINC000381208047 367365278 /nfs/dbraw/zinc/36/52/78/367365278.db2.gz GPQVSAUZEVLZNF-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1C ZINC000381209010 710609233 /nfs/dbraw/zinc/60/92/33/710609233.db2.gz GUWOSUHORFDHKI-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1C ZINC000381209015 710609605 /nfs/dbraw/zinc/60/96/05/710609605.db2.gz GUWOSUHORFDHKI-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1(C)CC1 ZINC000381209920 710609068 /nfs/dbraw/zinc/60/90/68/710609068.db2.gz GYKDOXHURRRUFH-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1(C)CC1 ZINC000381209921 710608820 /nfs/dbraw/zinc/60/88/20/710608820.db2.gz GYKDOXHURRRUFH-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)C ZINC000381213700 344204825 /nfs/dbraw/zinc/20/48/25/344204825.db2.gz HQAZXWHKRRRLHC-BXUZGUMPSA-N 1 0 217.356 3.556 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)C ZINC000381213702 344205012 /nfs/dbraw/zinc/20/50/12/344205012.db2.gz HQAZXWHKRRRLHC-FZMZJTMJSA-N 1 0 217.356 3.556 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)C ZINC000381213703 344204833 /nfs/dbraw/zinc/20/48/33/344204833.db2.gz HQAZXWHKRRRLHC-RISCZKNCSA-N 1 0 217.356 3.556 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)C ZINC000381213705 344204784 /nfs/dbraw/zinc/20/47/84/344204784.db2.gz HQAZXWHKRRRLHC-SMDDNHRTSA-N 1 0 217.356 3.556 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381216829 367364917 /nfs/dbraw/zinc/36/49/17/367364917.db2.gz IDMLENQCSBUHJR-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000381216837 367365138 /nfs/dbraw/zinc/36/51/38/367365138.db2.gz IDMLENQCSBUHJR-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381217654 367366432 /nfs/dbraw/zinc/36/64/32/367366432.db2.gz IHBXVKGZBRLFIH-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381217665 344207207 /nfs/dbraw/zinc/20/72/07/344207207.db2.gz IHBXVKGZBRLFIH-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000381217672 344207223 /nfs/dbraw/zinc/20/72/23/344207223.db2.gz IHBXVKGZBRLFIH-NDBYEHHHSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000381217678 344207115 /nfs/dbraw/zinc/20/71/15/344207115.db2.gz IHBXVKGZBRLFIH-VOAKCMCISA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1(C(F)F)CC1 ZINC000381218191 367366804 /nfs/dbraw/zinc/36/68/04/367366804.db2.gz IJIZLDCQRWFAFU-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1(C(F)F)CC1 ZINC000381218194 367366575 /nfs/dbraw/zinc/36/65/75/367366575.db2.gz IJIZLDCQRWFAFU-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1(C(F)F)CC1 ZINC000381218198 367366881 /nfs/dbraw/zinc/36/68/81/367366881.db2.gz IJIZLDCQRWFAFU-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1(C(F)F)CC1 ZINC000381218201 367365957 /nfs/dbraw/zinc/36/59/57/367365957.db2.gz IJIZLDCQRWFAFU-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000381220609 538996496 /nfs/dbraw/zinc/99/64/96/538996496.db2.gz IRIANERQRDIRCS-NXEZZACHSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000381220610 538996746 /nfs/dbraw/zinc/99/67/46/538996746.db2.gz IRIANERQRDIRCS-UWVGGRQHSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)s1 ZINC000381220611 541461227 /nfs/dbraw/zinc/46/12/27/541461227.db2.gz IRIANERQRDIRCS-VHSXEESVSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)s1 ZINC000381220612 541460888 /nfs/dbraw/zinc/46/08/88/541460888.db2.gz IRIANERQRDIRCS-ZJUUUORDSA-N 1 0 240.416 3.784 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000381221494 344211159 /nfs/dbraw/zinc/21/11/59/344211159.db2.gz IWEIQULFZAHOKT-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000381221497 344211254 /nfs/dbraw/zinc/21/12/54/344211254.db2.gz IWEIQULFZAHOKT-MCIONIFRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000381221499 344211144 /nfs/dbraw/zinc/21/11/44/344211144.db2.gz IWEIQULFZAHOKT-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000381221500 344211225 /nfs/dbraw/zinc/21/12/25/344211225.db2.gz IWEIQULFZAHOKT-RDBSUJKOSA-N 1 0 221.388 3.733 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)C(C)C)cc1 ZINC000381222203 344212868 /nfs/dbraw/zinc/21/28/68/344212868.db2.gz IZGFIFMVAUIRGX-CYBMUJFWSA-N 1 0 217.356 3.506 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)C(C)C)cc1 ZINC000381222206 367366666 /nfs/dbraw/zinc/36/66/66/367366666.db2.gz IZGFIFMVAUIRGX-ZDUSSCGKSA-N 1 0 217.356 3.506 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC1(C)C)C(F)(F)F ZINC000381222730 344213426 /nfs/dbraw/zinc/21/34/26/344213426.db2.gz JCGOIKBEYNTMFH-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC1(C)C)C(F)(F)F ZINC000381222731 344213783 /nfs/dbraw/zinc/21/37/83/344213783.db2.gz JCGOIKBEYNTMFH-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccccc1C)OC ZINC000381224813 344215116 /nfs/dbraw/zinc/21/51/16/344215116.db2.gz RAOUEYCJSYJMMH-BJJXKVORSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccccc1C)OC ZINC000381224817 344214990 /nfs/dbraw/zinc/21/49/90/344214990.db2.gz RAOUEYCJSYJMMH-DUVNUKRYSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccccc1C)OC ZINC000381224819 344217776 /nfs/dbraw/zinc/21/77/76/344217776.db2.gz RAOUEYCJSYJMMH-JGGQBBKZSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccccc1C)OC ZINC000381224820 344217897 /nfs/dbraw/zinc/21/78/97/344217897.db2.gz RAOUEYCJSYJMMH-NOLJZWGESA-N 1 0 249.398 3.707 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)C1CC1 ZINC000381226446 367368199 /nfs/dbraw/zinc/36/81/99/367368199.db2.gz IMLBUEICGYDVRL-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)C1CC1 ZINC000381226449 367367638 /nfs/dbraw/zinc/36/76/38/367367638.db2.gz IMLBUEICGYDVRL-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)C1CC1 ZINC000381226454 367367435 /nfs/dbraw/zinc/36/74/35/367367435.db2.gz IMLBUEICGYDVRL-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)C1CC1 ZINC000381226457 367368091 /nfs/dbraw/zinc/36/80/91/367368091.db2.gz IMLBUEICGYDVRL-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(OC)cc1Cl ZINC000381227196 344219937 /nfs/dbraw/zinc/21/99/37/344219937.db2.gz KCQLBGOHJNKCRB-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(F)c(C)c2)cs1 ZINC000381227789 367368114 /nfs/dbraw/zinc/36/81/14/367368114.db2.gz ACMIMEOKOBBDEI-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381228982 344221489 /nfs/dbraw/zinc/22/14/89/344221489.db2.gz KKXQNTWOYURCJU-HTQZYQBOSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381228983 344221578 /nfs/dbraw/zinc/22/15/78/344221578.db2.gz KKXQNTWOYURCJU-JGVFFNPUSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381228993 367367527 /nfs/dbraw/zinc/36/75/27/367367527.db2.gz KKXQNTWOYURCJU-SFYZADRCSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381228994 367367279 /nfs/dbraw/zinc/36/72/79/367367279.db2.gz KKXQNTWOYURCJU-YUMQZZPRSA-N 1 0 249.301 3.513 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000381229641 344222430 /nfs/dbraw/zinc/22/24/30/344222430.db2.gz KQADNPJFAHIGTD-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000381229644 344222527 /nfs/dbraw/zinc/22/25/27/344222527.db2.gz KQADNPJFAHIGTD-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000381229662 367367952 /nfs/dbraw/zinc/36/79/52/367367952.db2.gz KQADNPJFAHIGTD-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000381229665 367368218 /nfs/dbraw/zinc/36/82/18/367368218.db2.gz KQADNPJFAHIGTD-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000381230147 344225061 /nfs/dbraw/zinc/22/50/61/344225061.db2.gz KRXVMRRXXSEJAP-GHMZBOCLSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000381230148 344225011 /nfs/dbraw/zinc/22/50/11/344225011.db2.gz KRXVMRRXXSEJAP-MNOVXSKESA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000381230149 344225233 /nfs/dbraw/zinc/22/52/33/344225233.db2.gz KRXVMRRXXSEJAP-QWRGUYRKSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000381230150 344224960 /nfs/dbraw/zinc/22/49/60/344224960.db2.gz KRXVMRRXXSEJAP-WDEREUQCSA-N 1 0 240.778 3.678 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000381231496 344226330 /nfs/dbraw/zinc/22/63/30/344226330.db2.gz KZRLHDPMHZSXHB-BBNOBNGHSA-N 1 0 221.388 3.591 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000381231499 344226284 /nfs/dbraw/zinc/22/62/84/344226284.db2.gz KZRLHDPMHZSXHB-CXTZMWEQSA-N 1 0 221.388 3.591 20 0 BHADRO CC1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000381231503 344226213 /nfs/dbraw/zinc/22/62/13/344226213.db2.gz KZRLHDPMHZSXHB-FWIFWCIWSA-N 1 0 221.388 3.591 20 0 BHADRO CC1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000381231505 344226516 /nfs/dbraw/zinc/22/65/16/344226516.db2.gz KZRLHDPMHZSXHB-VHMBPLKRSA-N 1 0 221.388 3.591 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCCF)cc1C ZINC000381233726 367367581 /nfs/dbraw/zinc/36/75/81/367367581.db2.gz KDUHKQRZAZFARG-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCCF)cc1C ZINC000381233730 367367630 /nfs/dbraw/zinc/36/76/30/367367630.db2.gz KDUHKQRZAZFARG-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381235284 367369257 /nfs/dbraw/zinc/36/92/57/367369257.db2.gz LURCFIYNAYPKCL-NEPJUHHUSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381235286 367368416 /nfs/dbraw/zinc/36/84/16/367368416.db2.gz LURCFIYNAYPKCL-NWDGAFQWSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381235289 367368741 /nfs/dbraw/zinc/36/87/41/367368741.db2.gz LURCFIYNAYPKCL-RYUDHWBXSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381235292 367368858 /nfs/dbraw/zinc/36/88/58/367368858.db2.gz LURCFIYNAYPKCL-VXGBXAGGSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000381235759 538996883 /nfs/dbraw/zinc/99/68/83/538996883.db2.gz LWUQPBBLEQCQNZ-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000381235760 541328353 /nfs/dbraw/zinc/32/83/53/541328353.db2.gz LWUQPBBLEQCQNZ-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000381235761 538996644 /nfs/dbraw/zinc/99/66/44/538996644.db2.gz LWUQPBBLEQCQNZ-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCCC[C@H]1C ZINC000381235764 538996780 /nfs/dbraw/zinc/99/67/80/538996780.db2.gz LWUQPBBLEQCQNZ-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000381235766 538996859 /nfs/dbraw/zinc/99/68/59/538996859.db2.gz LWVYPVDQDUWVKS-NXEZZACHSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccs1 ZINC000381235767 538996813 /nfs/dbraw/zinc/99/68/13/538996813.db2.gz LWVYPVDQDUWVKS-UWVGGRQHSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccs1 ZINC000381235769 538996743 /nfs/dbraw/zinc/99/67/43/538996743.db2.gz LWVYPVDQDUWVKS-VHSXEESVSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000381235770 538996881 /nfs/dbraw/zinc/99/68/81/538996881.db2.gz LWVYPVDQDUWVKS-ZJUUUORDSA-N 1 0 245.338 3.977 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000381235773 367368520 /nfs/dbraw/zinc/36/85/20/367368520.db2.gz LXBSNKUDWROLBU-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000381235774 367368616 /nfs/dbraw/zinc/36/86/16/367368616.db2.gz LXBSNKUDWROLBU-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000381235780 367368432 /nfs/dbraw/zinc/36/84/32/367368432.db2.gz LXBSNKUDWROLBU-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000381235783 367368545 /nfs/dbraw/zinc/36/85/45/367368545.db2.gz LXBSNKUDWROLBU-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H]1C ZINC000381236487 367368468 /nfs/dbraw/zinc/36/84/68/367368468.db2.gz LZRUGXAHXLZPFZ-GYSYKLTISA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)[C@@H]1C ZINC000381236488 367369192 /nfs/dbraw/zinc/36/91/92/367369192.db2.gz LZRUGXAHXLZPFZ-JTNHKYCSSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)[C@H]1C ZINC000381236489 367369227 /nfs/dbraw/zinc/36/92/27/367369227.db2.gz LZRUGXAHXLZPFZ-SUNKGSAMSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)[C@H]1C ZINC000381236490 367368710 /nfs/dbraw/zinc/36/87/10/367368710.db2.gz LZRUGXAHXLZPFZ-UHIISALHSA-N 1 0 237.774 3.517 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000381237813 355956010 /nfs/dbraw/zinc/95/60/10/355956010.db2.gz MGRNBVMJXFGXGY-DBIOUOCHSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000381237817 367369110 /nfs/dbraw/zinc/36/91/10/367369110.db2.gz MGRNBVMJXFGXGY-RCWTZXSCSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000381237820 367369200 /nfs/dbraw/zinc/36/92/00/367369200.db2.gz MGRNBVMJXFGXGY-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000381237821 367369427 /nfs/dbraw/zinc/36/94/27/367369427.db2.gz MGRNBVMJXFGXGY-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381239193 367368571 /nfs/dbraw/zinc/36/85/71/367368571.db2.gz MQIVBYWRQNJSSO-GHMZBOCLSA-N 1 0 237.774 3.821 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381239197 344241532 /nfs/dbraw/zinc/24/15/32/344241532.db2.gz MQIVBYWRQNJSSO-MNOVXSKESA-N 1 0 237.774 3.821 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381239200 367368806 /nfs/dbraw/zinc/36/88/06/367368806.db2.gz MQIVBYWRQNJSSO-QWRGUYRKSA-N 1 0 237.774 3.821 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381239209 367368986 /nfs/dbraw/zinc/36/89/86/367368986.db2.gz MQIVBYWRQNJSSO-WDEREUQCSA-N 1 0 237.774 3.821 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1F ZINC000381240320 367369301 /nfs/dbraw/zinc/36/93/01/367369301.db2.gz AENQXDRUTQOIHU-GHMZBOCLSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1F ZINC000381240324 367369341 /nfs/dbraw/zinc/36/93/41/367369341.db2.gz AENQXDRUTQOIHU-MNOVXSKESA-N 1 0 227.298 3.533 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1F ZINC000381240327 344247694 /nfs/dbraw/zinc/24/76/94/344247694.db2.gz AENQXDRUTQOIHU-QWRGUYRKSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1F ZINC000381240328 344247668 /nfs/dbraw/zinc/24/76/68/344247668.db2.gz AENQXDRUTQOIHU-WDEREUQCSA-N 1 0 227.298 3.533 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C(F)F)CC1 ZINC000381241114 367368458 /nfs/dbraw/zinc/36/84/58/367368458.db2.gz NDAUDLWQEBEAAS-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C(F)F)CC1 ZINC000381241116 367369451 /nfs/dbraw/zinc/36/94/51/367369451.db2.gz NDAUDLWQEBEAAS-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000381242519 538996647 /nfs/dbraw/zinc/99/66/47/538996647.db2.gz NMLGJLILKIBYFV-GWCFXTLKSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000381242526 538996811 /nfs/dbraw/zinc/99/68/11/538996811.db2.gz NMLGJLILKIBYFV-GXFFZTMASA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000381242530 538996916 /nfs/dbraw/zinc/99/69/16/538996916.db2.gz NMLGJLILKIBYFV-MFKMUULPSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000381242533 538996840 /nfs/dbraw/zinc/99/68/40/538996840.db2.gz NMLGJLILKIBYFV-ZWNOBZJWSA-N 1 0 221.344 3.502 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000381243095 367370779 /nfs/dbraw/zinc/37/07/79/367370779.db2.gz NPWUKISPPMWMTP-UHFFFAOYSA-N 1 0 217.356 3.749 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC(C)C)oc1C ZINC000381243775 344258331 /nfs/dbraw/zinc/25/83/31/344258331.db2.gz NULWYSARRAZRFE-NEPJUHHUSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC(C)C)oc1C ZINC000381243785 367371113 /nfs/dbraw/zinc/37/11/13/367371113.db2.gz NULWYSARRAZRFE-NWDGAFQWSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC(C)C)oc1C ZINC000381243786 367370889 /nfs/dbraw/zinc/37/08/89/367370889.db2.gz NULWYSARRAZRFE-RYUDHWBXSA-N 1 0 223.360 3.982 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC(C)C)oc1C ZINC000381243787 367370495 /nfs/dbraw/zinc/37/04/95/367370495.db2.gz NULWYSARRAZRFE-VXGBXAGGSA-N 1 0 223.360 3.982 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381247510 367370359 /nfs/dbraw/zinc/37/03/59/367370359.db2.gz OODMXCYQQAOSKR-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381247512 367370133 /nfs/dbraw/zinc/37/01/33/367370133.db2.gz OODMXCYQQAOSKR-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381247515 344274622 /nfs/dbraw/zinc/27/46/22/344274622.db2.gz OODMXCYQQAOSKR-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381247516 344274584 /nfs/dbraw/zinc/27/45/84/344274584.db2.gz OODMXCYQQAOSKR-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000381249462 344278044 /nfs/dbraw/zinc/27/80/44/344278044.db2.gz OZRKOWVSUUTZRG-UHFFFAOYSA-N 1 0 249.301 3.655 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000381252250 344285435 /nfs/dbraw/zinc/28/54/35/344285435.db2.gz PTTXPWNJJBAJII-JHJVBQTASA-N 1 0 227.367 3.541 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000381252251 344285500 /nfs/dbraw/zinc/28/55/00/344285500.db2.gz PTTXPWNJJBAJII-UPJWGTAASA-N 1 0 227.367 3.541 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000381252252 344285634 /nfs/dbraw/zinc/28/56/34/344285634.db2.gz PTTXPWNJJBAJII-XQQFMLRXSA-N 1 0 227.367 3.541 20 0 BHADRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000381252254 344285657 /nfs/dbraw/zinc/28/56/57/344285657.db2.gz PTTXPWNJJBAJII-YNEHKIRRSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381252333 367369977 /nfs/dbraw/zinc/36/99/77/367369977.db2.gz PVLJVBUHHLPPKB-GHMZBOCLSA-N 1 0 237.774 3.821 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381252334 367370576 /nfs/dbraw/zinc/37/05/76/367370576.db2.gz PVLJVBUHHLPPKB-MNOVXSKESA-N 1 0 237.774 3.821 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381252336 367370944 /nfs/dbraw/zinc/37/09/44/367370944.db2.gz PVLJVBUHHLPPKB-QWRGUYRKSA-N 1 0 237.774 3.821 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381252339 367370428 /nfs/dbraw/zinc/37/04/28/367370428.db2.gz PVLJVBUHHLPPKB-WDEREUQCSA-N 1 0 237.774 3.821 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381254696 538997353 /nfs/dbraw/zinc/99/73/53/538997353.db2.gz QLIMQFWFGRXOBA-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381254697 538997446 /nfs/dbraw/zinc/99/74/46/538997446.db2.gz QLIMQFWFGRXOBA-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381254699 538997187 /nfs/dbraw/zinc/99/71/87/538997187.db2.gz QLIMQFWFGRXOBA-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000381254703 538997265 /nfs/dbraw/zinc/99/72/65/538997265.db2.gz QLIMQFWFGRXOBA-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1(C)CC1 ZINC000381255090 710612114 /nfs/dbraw/zinc/61/21/14/710612114.db2.gz QNVHBSDPKZKYST-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1(C)CC1 ZINC000381255091 710613122 /nfs/dbraw/zinc/61/31/22/710613122.db2.gz QNVHBSDPKZKYST-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000381257261 344304704 /nfs/dbraw/zinc/30/47/04/344304704.db2.gz RALUHLIHXHLVQJ-NEPJUHHUSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000381257262 344304670 /nfs/dbraw/zinc/30/46/70/344304670.db2.gz RALUHLIHXHLVQJ-NWDGAFQWSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000381257263 344304625 /nfs/dbraw/zinc/30/46/25/344304625.db2.gz RALUHLIHXHLVQJ-RYUDHWBXSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000381257264 344304880 /nfs/dbraw/zinc/30/48/80/344304880.db2.gz RALUHLIHXHLVQJ-VXGBXAGGSA-N 1 0 229.314 3.510 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000381260624 367371540 /nfs/dbraw/zinc/37/15/40/367371540.db2.gz RWJPOGSFYMLEDV-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000381260625 367372141 /nfs/dbraw/zinc/37/21/41/367372141.db2.gz RWJPOGSFYMLEDV-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000381260626 367371895 /nfs/dbraw/zinc/37/18/95/367371895.db2.gz RWJPOGSFYMLEDV-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000381260627 367371382 /nfs/dbraw/zinc/37/13/82/367371382.db2.gz RWJPOGSFYMLEDV-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000381261212 710613312 /nfs/dbraw/zinc/61/33/12/710613312.db2.gz SCQAYTCURJNGPT-CYBMUJFWSA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]C1CCCCCCC1 ZINC000381261213 710612869 /nfs/dbraw/zinc/61/28/69/710612869.db2.gz SCQAYTCURJNGPT-ZDUSSCGKSA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000381262493 710614462 /nfs/dbraw/zinc/61/44/62/710614462.db2.gz SJSWZQQPJJZXJQ-GXTWGEPZSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000381262495 710615229 /nfs/dbraw/zinc/61/52/29/710615229.db2.gz SJSWZQQPJJZXJQ-JSGCOSHPSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000381262496 710615024 /nfs/dbraw/zinc/61/50/24/710615024.db2.gz SJSWZQQPJJZXJQ-OCCSQVGLSA-N 1 0 217.356 3.556 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@H]1C[C@H]1C ZINC000381262498 710614537 /nfs/dbraw/zinc/61/45/37/710614537.db2.gz SJSWZQQPJJZXJQ-TZMCWYRMSA-N 1 0 217.356 3.556 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1c(F)cccc1Cl ZINC000381263781 344334847 /nfs/dbraw/zinc/33/48/47/344334847.db2.gz STKJNFLERKYPOM-GUBZILKMSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1c(F)cccc1Cl ZINC000381263783 344338453 /nfs/dbraw/zinc/33/84/53/344338453.db2.gz STKJNFLERKYPOM-KXUCPTDWSA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1c(F)cccc1Cl ZINC000381263784 344339114 /nfs/dbraw/zinc/33/91/14/344339114.db2.gz STKJNFLERKYPOM-LPEHRKFASA-N 1 0 241.737 3.786 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1c(F)cccc1Cl ZINC000381263785 344339133 /nfs/dbraw/zinc/33/91/33/344339133.db2.gz STKJNFLERKYPOM-UTLUCORTSA-N 1 0 241.737 3.786 20 0 BHADRO CC(C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000381265370 367372465 /nfs/dbraw/zinc/37/24/65/367372465.db2.gz TZCIRGROAGOPRO-HNNXBMFYSA-N 1 0 217.356 3.773 20 0 BHADRO CC(C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000381265371 367371937 /nfs/dbraw/zinc/37/19/37/367371937.db2.gz TZCIRGROAGOPRO-OAHLLOKOSA-N 1 0 217.356 3.773 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2cccs2)c(C)o1 ZINC000381265831 710614361 /nfs/dbraw/zinc/61/43/61/710614361.db2.gz UAFOKSWBWANYPY-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2cccs2)c(C)o1 ZINC000381265837 710614829 /nfs/dbraw/zinc/61/48/29/710614829.db2.gz UAFOKSWBWANYPY-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccccc1C ZINC000381266332 398326387 /nfs/dbraw/zinc/32/63/87/398326387.db2.gz QMDWRSNAFXADSC-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccccc1C ZINC000381266333 398326311 /nfs/dbraw/zinc/32/63/11/398326311.db2.gz QMDWRSNAFXADSC-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO C1CC([C@H]2CC[C@@H]2[NH2+]C2CCCCCC2)C1 ZINC000381268162 367372400 /nfs/dbraw/zinc/37/24/00/367372400.db2.gz UTJXJVLMVQCWRS-CABCVRRESA-N 1 0 221.388 3.878 20 0 BHADRO C1CC([C@@H]2CC[C@@H]2[NH2+]C2CCCCCC2)C1 ZINC000381268164 367371929 /nfs/dbraw/zinc/37/19/29/367371929.db2.gz UTJXJVLMVQCWRS-GJZGRUSLSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC([C@H]2CC[C@H]2[NH2+]C2CCCCCC2)C1 ZINC000381268165 367372019 /nfs/dbraw/zinc/37/20/19/367372019.db2.gz UTJXJVLMVQCWRS-HUUCEWRRSA-N 1 0 221.388 3.878 20 0 BHADRO C1CC([C@@H]2CC[C@H]2[NH2+]C2CCCCCC2)C1 ZINC000381268167 367371904 /nfs/dbraw/zinc/37/19/04/367371904.db2.gz UTJXJVLMVQCWRS-LSDHHAIUSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000381268505 384931925 /nfs/dbraw/zinc/93/19/25/384931925.db2.gz UVTZQEGUMYCPIK-ILDUYXDCSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000381268511 367371651 /nfs/dbraw/zinc/37/16/51/367371651.db2.gz UVTZQEGUMYCPIK-VQXHTEKXSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000381270550 344483089 /nfs/dbraw/zinc/48/30/89/344483089.db2.gz VLVRNPXDQYPLHG-CHWSQXEVSA-N 1 0 221.388 3.759 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000381270551 344481696 /nfs/dbraw/zinc/48/16/96/344481696.db2.gz VLVRNPXDQYPLHG-OLZOCXBDSA-N 1 0 221.388 3.759 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000381270552 344481934 /nfs/dbraw/zinc/48/19/34/344481934.db2.gz VLVRNPXDQYPLHG-QWHCGFSZSA-N 1 0 221.388 3.759 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000381270553 344481821 /nfs/dbraw/zinc/48/18/21/344481821.db2.gz VLVRNPXDQYPLHG-STQMWFEESA-N 1 0 221.388 3.759 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)o1 ZINC000381271811 344490583 /nfs/dbraw/zinc/49/05/83/344490583.db2.gz RWEXHCOWRGRRJA-BDJLRTHQSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)o1 ZINC000381271812 344490455 /nfs/dbraw/zinc/49/04/55/344490455.db2.gz RWEXHCOWRGRRJA-BZNIZROVSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)o1 ZINC000381271813 344490128 /nfs/dbraw/zinc/49/01/28/344490128.db2.gz RWEXHCOWRGRRJA-MEDUHNTESA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)o1 ZINC000381271815 344490588 /nfs/dbraw/zinc/49/05/88/344490588.db2.gz RWEXHCOWRGRRJA-ZBEGNZNMSA-N 1 0 241.334 3.926 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@@H]1C ZINC000381272050 344491486 /nfs/dbraw/zinc/49/14/86/344491486.db2.gz VVGKKULGSYJIPH-AGIUHOORSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@@H]1C ZINC000381272052 344491416 /nfs/dbraw/zinc/49/14/16/344491416.db2.gz VVGKKULGSYJIPH-FRRDWIJNSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@H]1C ZINC000381272053 344491322 /nfs/dbraw/zinc/49/13/22/344491322.db2.gz VVGKKULGSYJIPH-JHJVBQTASA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@H]1C ZINC000381272055 344491334 /nfs/dbraw/zinc/49/13/34/344491334.db2.gz VVGKKULGSYJIPH-UPJWGTAASA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+]CCC(C)(C)O)cc1 ZINC000381272234 344492408 /nfs/dbraw/zinc/49/24/08/344492408.db2.gz RZPYZBQEMOOKEE-CYBMUJFWSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCS[C@@H]1C)C1CCCCC1 ZINC000381272235 538997136 /nfs/dbraw/zinc/99/71/36/538997136.db2.gz VYJVNLMMDFOJLM-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCS[C@H]1C)C1CCCCC1 ZINC000381272236 538997050 /nfs/dbraw/zinc/99/70/50/538997050.db2.gz VYJVNLMMDFOJLM-DYEKYZERSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+]CCC(C)(C)O)cc1 ZINC000381272237 344492236 /nfs/dbraw/zinc/49/22/36/344492236.db2.gz RZPYZBQEMOOKEE-ZDUSSCGKSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCS[C@H]1C)C1CCCCC1 ZINC000381272238 538997229 /nfs/dbraw/zinc/99/72/29/538997229.db2.gz VYJVNLMMDFOJLM-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCS[C@@H]1C)C1CCCCC1 ZINC000381272240 538997059 /nfs/dbraw/zinc/99/70/59/538997059.db2.gz VYJVNLMMDFOJLM-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccnc1Cl ZINC000381275801 710616138 /nfs/dbraw/zinc/61/61/38/710616138.db2.gz WXANODWADZSYFO-LLVKDONJSA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccnc1Cl ZINC000381275805 710616309 /nfs/dbraw/zinc/61/63/09/710616309.db2.gz WXANODWADZSYFO-NSHDSACASA-N 1 0 240.778 3.746 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000381276073 344509983 /nfs/dbraw/zinc/50/99/83/344509983.db2.gz WYTFXWPQELQGLN-AGIUHOORSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381276074 344509995 /nfs/dbraw/zinc/50/99/95/344509995.db2.gz WYTFXWPQELQGLN-FRRDWIJNSA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000381276075 344509956 /nfs/dbraw/zinc/50/99/56/344509956.db2.gz WYTFXWPQELQGLN-JHJVBQTASA-N 1 0 243.460 3.788 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000381276076 344510113 /nfs/dbraw/zinc/51/01/13/344510113.db2.gz WYTFXWPQELQGLN-UPJWGTAASA-N 1 0 243.460 3.788 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2nc(C)cs2)CCC1 ZINC000381277274 361288792 /nfs/dbraw/zinc/28/87/92/361288792.db2.gz XFIMRJFHKHWGFM-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2nc(C)cs2)CCC1 ZINC000381277275 361288971 /nfs/dbraw/zinc/28/89/71/361288971.db2.gz XFIMRJFHKHWGFM-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CCCC1CC1 ZINC000381278589 538997414 /nfs/dbraw/zinc/99/74/14/538997414.db2.gz XNHLSHLCSMRAJT-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CCCC1CC1 ZINC000381278597 538997171 /nfs/dbraw/zinc/99/71/71/538997171.db2.gz XNHLSHLCSMRAJT-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(C)cc1C ZINC000381278769 367372970 /nfs/dbraw/zinc/37/29/70/367372970.db2.gz XOUWWCAZEXGFLS-UHFFFAOYSA-N 1 0 217.356 3.749 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000381280416 710616561 /nfs/dbraw/zinc/61/65/61/710616561.db2.gz XZICZSMWYYFMFI-JTQLQIEISA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@H](C)C2(C)CC2)s1 ZINC000381280417 710615508 /nfs/dbraw/zinc/61/55/08/710615508.db2.gz XZICZSMWYYFMFI-SNVBAGLBSA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000381281245 367375055 /nfs/dbraw/zinc/37/50/55/367375055.db2.gz YFSXKMUSGNUHPT-FVCCEPFGSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H]1CSC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000381281248 367374264 /nfs/dbraw/zinc/37/42/64/367374264.db2.gz YFSXKMUSGNUHPT-MROQNXINSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000381281252 367374740 /nfs/dbraw/zinc/37/47/40/367374740.db2.gz YFSXKMUSGNUHPT-NDBYEHHHSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H]1CSC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000381281254 367375013 /nfs/dbraw/zinc/37/50/13/367375013.db2.gz YFSXKMUSGNUHPT-VOAKCMCISA-N 1 0 241.444 3.542 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000381283451 710616546 /nfs/dbraw/zinc/61/65/46/710616546.db2.gz YWRMMUCONWBCBG-CYBMUJFWSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000381283463 710615632 /nfs/dbraw/zinc/61/56/32/710615632.db2.gz YWRMMUCONWBCBG-ZDUSSCGKSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000381283901 367375159 /nfs/dbraw/zinc/37/51/59/367375159.db2.gz VRWAMIBSFMSMHR-ZDUSSCGKSA-N 1 0 240.350 3.549 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)c1cccs1 ZINC000381285555 367374402 /nfs/dbraw/zinc/37/44/02/367374402.db2.gz ZLJMMLKMDXPLBZ-UHFFFAOYSA-N 1 0 237.412 3.804 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381286133 538997738 /nfs/dbraw/zinc/99/77/38/538997738.db2.gz ZPAGLCIPYKBYDR-QJPTWQEYSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381286134 538467305 /nfs/dbraw/zinc/46/73/05/538467305.db2.gz ZPAGLCIPYKBYDR-SDDRHHMPSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381286135 538467213 /nfs/dbraw/zinc/46/72/13/538467213.db2.gz ZPAGLCIPYKBYDR-SRVKXCTJSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381286140 538997804 /nfs/dbraw/zinc/99/78/04/538997804.db2.gz ZPAGLCIPYKBYDR-TUAOUCFPSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC000381286984 367375042 /nfs/dbraw/zinc/37/50/42/367375042.db2.gz MSYMYDJQLSHMJB-CHWSQXEVSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C)c1 ZINC000381286985 367374977 /nfs/dbraw/zinc/37/49/77/367374977.db2.gz MSYMYDJQLSHMJB-OLZOCXBDSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC000381286986 367374598 /nfs/dbraw/zinc/37/45/98/367374598.db2.gz MSYMYDJQLSHMJB-QWHCGFSZSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C)c1 ZINC000381286987 398043919 /nfs/dbraw/zinc/04/39/19/398043919.db2.gz MSYMYDJQLSHMJB-STQMWFEESA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(SC)CC1 ZINC000381291113 367376052 /nfs/dbraw/zinc/37/60/52/367376052.db2.gz DCUGSLCXRSYHFS-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000381291115 367376058 /nfs/dbraw/zinc/37/60/58/367376058.db2.gz DCUGSLCXRSYHFS-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000381291119 367376230 /nfs/dbraw/zinc/37/62/30/367376230.db2.gz DCUGSLCXRSYHFS-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(SC)CC1 ZINC000381291121 367376106 /nfs/dbraw/zinc/37/61/06/367376106.db2.gz DCUGSLCXRSYHFS-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)s1 ZINC000381291167 367376327 /nfs/dbraw/zinc/37/63/27/367376327.db2.gz DDNXEDXPCMVTFH-AXFHLTTASA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)s1 ZINC000381291168 367376023 /nfs/dbraw/zinc/37/60/23/367376023.db2.gz DDNXEDXPCMVTFH-DCAQKATOSA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)s1 ZINC000381291169 367376150 /nfs/dbraw/zinc/37/61/50/367376150.db2.gz DDNXEDXPCMVTFH-GARJFASQSA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)s1 ZINC000381291170 367376088 /nfs/dbraw/zinc/37/60/88/367376088.db2.gz DDNXEDXPCMVTFH-HBNTYKKESA-N 1 0 241.375 3.852 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)cc1 ZINC000381292753 344492400 /nfs/dbraw/zinc/49/24/00/344492400.db2.gz XSZZIZKNKGHWFW-CYBMUJFWSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)cn1 ZINC000381293016 367376096 /nfs/dbraw/zinc/37/60/96/367376096.db2.gz FCEICGDBKLBXHI-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)cn1 ZINC000381293020 367376302 /nfs/dbraw/zinc/37/63/02/367376302.db2.gz FCEICGDBKLBXHI-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000381294514 488117658 /nfs/dbraw/zinc/11/76/58/488117658.db2.gz FVMGAYMAPVCPCX-CYBMUJFWSA-N 1 0 219.372 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000381294515 488118027 /nfs/dbraw/zinc/11/80/27/488118027.db2.gz FVMGAYMAPVCPCX-ZDUSSCGKSA-N 1 0 219.372 3.562 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CC1)Sc1ccccc1 ZINC000381295567 367376289 /nfs/dbraw/zinc/37/62/89/367376289.db2.gz GFRSQYGSTSAJFJ-GFCCVEGCSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CC1)Sc1ccccc1 ZINC000381295573 367376197 /nfs/dbraw/zinc/37/61/97/367376197.db2.gz GFRSQYGSTSAJFJ-LBPRGKRZSA-N 1 0 235.396 3.557 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)C1CCC1 ZINC000381295616 367376172 /nfs/dbraw/zinc/37/61/72/367376172.db2.gz GGMVNPYDVXREEO-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)C1CCC1 ZINC000381295617 367375805 /nfs/dbraw/zinc/37/58/05/367375805.db2.gz GGMVNPYDVXREEO-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC2CCC2)cs1 ZINC000381295757 398250286 /nfs/dbraw/zinc/25/02/86/398250286.db2.gz PGYHPGSPVCWPLO-JTQLQIEISA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC2CCC2)cs1 ZINC000381295758 398250211 /nfs/dbraw/zinc/25/02/11/398250211.db2.gz PGYHPGSPVCWPLO-SNVBAGLBSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CCSCC1 ZINC000381296950 367376880 /nfs/dbraw/zinc/37/68/80/367376880.db2.gz GVGRUKGGQGRKHZ-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CCSCC1 ZINC000381296952 367377100 /nfs/dbraw/zinc/37/71/00/367377100.db2.gz GVGRUKGGQGRKHZ-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CCSCC1 ZINC000381296960 345260996 /nfs/dbraw/zinc/26/09/96/345260996.db2.gz GVGRUKGGQGRKHZ-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CCSCC1 ZINC000381296962 385181476 /nfs/dbraw/zinc/18/14/76/385181476.db2.gz GVGRUKGGQGRKHZ-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381297743 367377269 /nfs/dbraw/zinc/37/72/69/367377269.db2.gz HERQLEWRURICHU-GFCCVEGCSA-N 1 0 243.753 3.913 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381297744 367376701 /nfs/dbraw/zinc/37/67/01/367376701.db2.gz HERQLEWRURICHU-LBPRGKRZSA-N 1 0 243.753 3.913 20 0 BHADRO C[C@H]([NH2+]CCCc1ccsc1)C1CCCC1 ZINC000381298013 367377025 /nfs/dbraw/zinc/37/70/25/367377025.db2.gz HFWLVHFSHUPENA-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000381298169 367377255 /nfs/dbraw/zinc/37/72/55/367377255.db2.gz HGRLBFPLCUBFNT-KBPBESRZSA-N 1 0 223.335 3.721 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000381298171 367376962 /nfs/dbraw/zinc/37/69/62/367376962.db2.gz HGRLBFPLCUBFNT-KGLIPLIRSA-N 1 0 223.335 3.721 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000381298172 367377182 /nfs/dbraw/zinc/37/71/82/367377182.db2.gz HGRLBFPLCUBFNT-UONOGXRCSA-N 1 0 223.335 3.721 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000381298173 367376603 /nfs/dbraw/zinc/37/66/03/367376603.db2.gz HGRLBFPLCUBFNT-ZIAGYGMSSA-N 1 0 223.335 3.721 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000381298295 367376498 /nfs/dbraw/zinc/37/64/98/367376498.db2.gz HIZWEZPMUHQCHJ-HTAVTVPLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000381298297 367376512 /nfs/dbraw/zinc/37/65/12/367376512.db2.gz HIZWEZPMUHQCHJ-MCIGGMRASA-N 1 0 231.330 3.733 20 0 BHADRO CCC(CC)([NH2+]CCF)c1ccc(Cl)cc1 ZINC000381298845 367376663 /nfs/dbraw/zinc/37/66/63/367376663.db2.gz HLZJBWWMBBALFQ-UHFFFAOYSA-N 1 0 243.753 3.914 20 0 BHADRO CCCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000381299573 345265715 /nfs/dbraw/zinc/26/57/15/345265715.db2.gz HRSDIFXLCARKKY-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000381299574 345265578 /nfs/dbraw/zinc/26/55/78/345265578.db2.gz HRSDIFXLCARKKY-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1csc2ccccc12 ZINC000381299884 710619086 /nfs/dbraw/zinc/61/90/86/710619086.db2.gz HVOAJUQZXHTJQK-JTQLQIEISA-N 1 0 231.364 3.962 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1csc2ccccc12 ZINC000381299889 710619115 /nfs/dbraw/zinc/61/91/15/710619115.db2.gz HVOAJUQZXHTJQK-SNVBAGLBSA-N 1 0 231.364 3.962 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000381300354 710618603 /nfs/dbraw/zinc/61/86/03/710618603.db2.gz HZZSNRNZMTWHND-UHFFFAOYSA-N 1 0 223.335 3.841 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CC)C1 ZINC000381301105 367376754 /nfs/dbraw/zinc/37/67/54/367376754.db2.gz IIQVHJGPZPHCBZ-CLRIEMFWSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC(CC)C1 ZINC000381301106 367376656 /nfs/dbraw/zinc/37/66/56/367376656.db2.gz IIQVHJGPZPHCBZ-HOAMVYINSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC(CC)C1 ZINC000381301107 367376943 /nfs/dbraw/zinc/37/69/43/367376943.db2.gz IIQVHJGPZPHCBZ-NWINJMCUSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]C1CC(CC)C1 ZINC000381301108 367376812 /nfs/dbraw/zinc/37/68/12/367376812.db2.gz IIQVHJGPZPHCBZ-PQAZSJQKSA-N 1 0 241.444 3.829 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCCC1 ZINC000381301431 345270271 /nfs/dbraw/zinc/27/02/71/345270271.db2.gz IKXYNPDMNHYULK-CYBMUJFWSA-N 1 0 217.356 3.897 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCCC1 ZINC000381301436 367376479 /nfs/dbraw/zinc/37/64/79/367376479.db2.gz IKXYNPDMNHYULK-ZDUSSCGKSA-N 1 0 217.356 3.897 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C1CC(C(F)F)C1 ZINC000381301814 710618200 /nfs/dbraw/zinc/61/82/00/710618200.db2.gz IRBSJEKQYDHAMY-UNXYVOJBSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C1CC(C(F)F)C1 ZINC000381301815 710618613 /nfs/dbraw/zinc/61/86/13/710618613.db2.gz IRBSJEKQYDHAMY-VOMCLLRMSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000381302070 367376769 /nfs/dbraw/zinc/37/67/69/367376769.db2.gz RBBOGRPSJYELOZ-GXTWGEPZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000381302071 367376791 /nfs/dbraw/zinc/37/67/91/367376791.db2.gz RBBOGRPSJYELOZ-JSGCOSHPSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](OC)[C@H](C)CC ZINC000381302072 367377264 /nfs/dbraw/zinc/37/72/64/367377264.db2.gz RBBOGRPSJYELOZ-OCCSQVGLSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000381302073 367376922 /nfs/dbraw/zinc/37/69/22/367376922.db2.gz RBBOGRPSJYELOZ-TZMCWYRMSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000381302926 345273473 /nfs/dbraw/zinc/27/34/73/345273473.db2.gz IWKQNFHBBGONFI-AVGNSLFASA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000381302928 345273581 /nfs/dbraw/zinc/27/35/81/345273581.db2.gz IWKQNFHBBGONFI-RWMBFGLXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000381302929 345273517 /nfs/dbraw/zinc/27/35/17/345273517.db2.gz IWKQNFHBBGONFI-XQQFMLRXSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000381302931 345273580 /nfs/dbraw/zinc/27/35/80/345273580.db2.gz IWKQNFHBBGONFI-YNEHKIRRSA-N 1 0 229.383 3.929 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccoc1C ZINC000381306414 538997709 /nfs/dbraw/zinc/99/77/09/538997709.db2.gz JZUHAXHBJHGGNS-BXUZGUMPSA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccoc1C ZINC000381306415 538997642 /nfs/dbraw/zinc/99/76/42/538997642.db2.gz JZUHAXHBJHGGNS-FZMZJTMJSA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccoc1C ZINC000381306416 538997829 /nfs/dbraw/zinc/99/78/29/538997829.db2.gz JZUHAXHBJHGGNS-RISCZKNCSA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccoc1C ZINC000381306417 538997704 /nfs/dbraw/zinc/99/77/04/538997704.db2.gz JZUHAXHBJHGGNS-SMDDNHRTSA-N 1 0 223.360 3.892 20 0 BHADRO COCc1cccc(C[NH2+]C(C)(C)C(C)(C)C)c1 ZINC000381307259 345281396 /nfs/dbraw/zinc/28/13/96/345281396.db2.gz CCCZITINQDSWTG-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCSCC2)[C@H]1C ZINC000381307354 345281256 /nfs/dbraw/zinc/28/12/56/345281256.db2.gz KEFCSIVPIAKANE-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CCSCC2)[C@H]1C ZINC000381307356 345281205 /nfs/dbraw/zinc/28/12/05/345281205.db2.gz KEFCSIVPIAKANE-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CCSCC2)[C@@H]1C ZINC000381307357 345280949 /nfs/dbraw/zinc/28/09/49/345280949.db2.gz KEFCSIVPIAKANE-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCSCC2)[C@@H]1C ZINC000381307360 345281226 /nfs/dbraw/zinc/28/12/26/345281226.db2.gz KEFCSIVPIAKANE-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C3CC3)CC2)c(C)s1 ZINC000381307692 367378295 /nfs/dbraw/zinc/37/82/95/367378295.db2.gz KHJMQUKBGZHNAE-JTQLQIEISA-N 1 0 235.396 3.958 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C3CC3)CC2)c(C)s1 ZINC000381307697 367377852 /nfs/dbraw/zinc/37/78/52/367377852.db2.gz KHJMQUKBGZHNAE-SNVBAGLBSA-N 1 0 235.396 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000381307956 367377796 /nfs/dbraw/zinc/37/77/96/367377796.db2.gz LKAOBAKYHOIOCW-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000381307957 367378680 /nfs/dbraw/zinc/37/86/80/367378680.db2.gz LKAOBAKYHOIOCW-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000381307958 367378182 /nfs/dbraw/zinc/37/81/82/367378182.db2.gz LKAOBAKYHOIOCW-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000381307959 367378736 /nfs/dbraw/zinc/37/87/36/367378736.db2.gz LKAOBAKYHOIOCW-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO CCC1CC([NH2+][C@@H](CC(F)(F)F)C(C)C)C1 ZINC000381311303 345292014 /nfs/dbraw/zinc/29/20/14/345292014.db2.gz AFSXQMDIMDPRIX-ILDUYXDCSA-N 1 0 237.309 3.742 20 0 BHADRO CCC1CC([NH2+][C@H](CC(F)(F)F)C(C)C)C1 ZINC000381311305 367378163 /nfs/dbraw/zinc/37/81/63/367378163.db2.gz AFSXQMDIMDPRIX-VQXHTEKXSA-N 1 0 237.309 3.742 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)OCC ZINC000381311352 367377787 /nfs/dbraw/zinc/37/77/87/367377787.db2.gz LPIOQJXEGOUBLN-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)OCC ZINC000381311355 367378539 /nfs/dbraw/zinc/37/85/39/367378539.db2.gz LPIOQJXEGOUBLN-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)OCC ZINC000381311357 367378089 /nfs/dbraw/zinc/37/80/89/367378089.db2.gz LPIOQJXEGOUBLN-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)OCC ZINC000381311358 345291730 /nfs/dbraw/zinc/29/17/30/345291730.db2.gz LPIOQJXEGOUBLN-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381311678 538997763 /nfs/dbraw/zinc/99/77/63/538997763.db2.gz AJRNBPCPAKYCLK-QJPTWQEYSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381311683 538467283 /nfs/dbraw/zinc/46/72/83/538467283.db2.gz AJRNBPCPAKYCLK-SDDRHHMPSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381311684 538467152 /nfs/dbraw/zinc/46/71/52/538467152.db2.gz AJRNBPCPAKYCLK-SRVKXCTJSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381311687 538997858 /nfs/dbraw/zinc/99/78/58/538997858.db2.gz AJRNBPCPAKYCLK-TUAOUCFPSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cccc(CSC)c1 ZINC000381312111 345291937 /nfs/dbraw/zinc/29/19/37/345291937.db2.gz AMJQRPODZQAFSO-GFCCVEGCSA-N 1 0 237.412 3.685 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cccc(CSC)c1 ZINC000381312116 367380002 /nfs/dbraw/zinc/38/00/02/367380002.db2.gz AMJQRPODZQAFSO-LBPRGKRZSA-N 1 0 237.412 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CC1 ZINC000381312344 367379714 /nfs/dbraw/zinc/37/97/14/367379714.db2.gz APUTXEDVXKTQBZ-GXTWGEPZSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](c1cccs1)C1CC1)C1CC1 ZINC000381312346 367380111 /nfs/dbraw/zinc/38/01/11/367380111.db2.gz APUTXEDVXKTQBZ-JSGCOSHPSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](c1cccs1)C1CC1)C1CC1 ZINC000381312348 367379788 /nfs/dbraw/zinc/37/97/88/367379788.db2.gz APUTXEDVXKTQBZ-OCCSQVGLSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CC1 ZINC000381312349 367379706 /nfs/dbraw/zinc/37/97/06/367379706.db2.gz APUTXEDVXKTQBZ-TZMCWYRMSA-N 1 0 235.396 3.977 20 0 BHADRO CSCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000381312377 344495154 /nfs/dbraw/zinc/49/51/54/344495154.db2.gz AQHJWOZBEFECIC-CYBMUJFWSA-N 1 0 241.400 3.710 20 0 BHADRO CSCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000381312379 344495229 /nfs/dbraw/zinc/49/52/29/344495229.db2.gz AQHJWOZBEFECIC-ZDUSSCGKSA-N 1 0 241.400 3.710 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000381312720 367379998 /nfs/dbraw/zinc/37/99/98/367379998.db2.gz AQYIVBGAFBVQHN-AAEUAGOBSA-N 1 0 235.396 3.544 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000381312729 367379884 /nfs/dbraw/zinc/37/98/84/367379884.db2.gz AQYIVBGAFBVQHN-DGCLKSJQSA-N 1 0 235.396 3.544 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000381312736 367379889 /nfs/dbraw/zinc/37/98/89/367379889.db2.gz AQYIVBGAFBVQHN-WCQYABFASA-N 1 0 235.396 3.544 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000381312739 367380019 /nfs/dbraw/zinc/38/00/19/367380019.db2.gz AQYIVBGAFBVQHN-YPMHNXCESA-N 1 0 235.396 3.544 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000381313390 367380085 /nfs/dbraw/zinc/38/00/85/367380085.db2.gz MEJNRDISVOZIGN-JTQLQIEISA-N 1 0 235.758 3.933 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000381313393 367379508 /nfs/dbraw/zinc/37/95/08/367379508.db2.gz MEJNRDISVOZIGN-SNVBAGLBSA-N 1 0 235.758 3.933 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)C2CCCC2)CC1 ZINC000381313590 345295157 /nfs/dbraw/zinc/29/51/57/345295157.db2.gz AXDJXNDVYNSDAB-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000381313651 710620577 /nfs/dbraw/zinc/62/05/77/710620577.db2.gz AXUQTGUYNWSZEP-GFCCVEGCSA-N 1 0 240.778 3.712 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000381313652 710620095 /nfs/dbraw/zinc/62/00/95/710620095.db2.gz AXUQTGUYNWSZEP-LBPRGKRZSA-N 1 0 240.778 3.712 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC000381313794 367379640 /nfs/dbraw/zinc/37/96/40/367379640.db2.gz MILDWWLHHKOUIN-GFCCVEGCSA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@H]([NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC000381313797 367380055 /nfs/dbraw/zinc/38/00/55/367380055.db2.gz MILDWWLHHKOUIN-LBPRGKRZSA-N 1 0 240.778 3.649 20 0 BHADRO CC1CC([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000381315453 345298000 /nfs/dbraw/zinc/29/80/00/345298000.db2.gz SAZLNINIYZPWGA-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CC([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000381315454 345297873 /nfs/dbraw/zinc/29/78/73/345297873.db2.gz SAZLNINIYZPWGA-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000381316567 710623118 /nfs/dbraw/zinc/62/31/18/710623118.db2.gz NJYMXWVNCNJNKJ-IMRBUKKESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]C1CCC2(CC2)CC1 ZINC000381316568 710622735 /nfs/dbraw/zinc/62/27/35/710622735.db2.gz NJYMXWVNCNJNKJ-RYUDHWBXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]C1CCC2(CC2)CC1 ZINC000381316569 710623123 /nfs/dbraw/zinc/62/31/23/710623123.db2.gz NJYMXWVNCNJNKJ-VXGBXAGGSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](CF)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000381316993 345301863 /nfs/dbraw/zinc/30/18/63/345301863.db2.gz NLMNQCZWVYEFSW-CBZQXFMTSA-N 1 0 241.737 3.534 20 0 BHADRO C[C@@H](CF)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000381316994 345301847 /nfs/dbraw/zinc/30/18/47/345301847.db2.gz NLMNQCZWVYEFSW-FJJSSXBZSA-N 1 0 241.737 3.534 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000381317131 367379733 /nfs/dbraw/zinc/37/97/33/367379733.db2.gz NMJSRIASNGPKAB-MBJXGIAVSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000381317141 367379524 /nfs/dbraw/zinc/37/95/24/367379524.db2.gz NMJSRIASNGPKAB-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000381317145 345301587 /nfs/dbraw/zinc/30/15/87/345301587.db2.gz NMJSRIASNGPKAB-QSLWVIQJSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000381317146 345301434 /nfs/dbraw/zinc/30/14/34/345301434.db2.gz NMJSRIASNGPKAB-RKQHYHRCSA-N 1 0 241.444 3.685 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCCC2)oc1C ZINC000381317982 345304651 /nfs/dbraw/zinc/30/46/51/345304651.db2.gz NTTQNGWPRQOEDK-LLVKDONJSA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCCC2)oc1C ZINC000381317983 345304609 /nfs/dbraw/zinc/30/46/09/345304609.db2.gz NTTQNGWPRQOEDK-NSHDSACASA-N 1 0 221.344 3.737 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)C2)ccc1F ZINC000381318189 367379546 /nfs/dbraw/zinc/37/95/46/367379546.db2.gz NVFWKIWZUWKHHY-DMLGSKKGSA-N 1 0 221.319 3.583 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)[C@@H]1C ZINC000381319628 367379710 /nfs/dbraw/zinc/37/97/10/367379710.db2.gz OGMVLFWAKMFORK-MQYQWHSLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)[C@H]1C ZINC000381319630 367380099 /nfs/dbraw/zinc/38/00/99/367380099.db2.gz OGMVLFWAKMFORK-RFGFWPKPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H]1C ZINC000381319634 367379617 /nfs/dbraw/zinc/37/96/17/367379617.db2.gz OGMVLFWAKMFORK-YIYPIFLZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@H]1C ZINC000381319636 367379778 /nfs/dbraw/zinc/37/97/78/367379778.db2.gz OGMVLFWAKMFORK-ZOBORPQBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000381320338 367381605 /nfs/dbraw/zinc/38/16/05/367381605.db2.gz OMKGAWRJPAPEPU-BDAKNGLRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1c(F)cccc1Cl ZINC000381320339 367380832 /nfs/dbraw/zinc/38/08/32/367380832.db2.gz OMKGAWRJPAPEPU-DTWKUNHWSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000381320340 367381057 /nfs/dbraw/zinc/38/10/57/367381057.db2.gz OMKGAWRJPAPEPU-IUCAKERBSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000381320341 345309896 /nfs/dbraw/zinc/30/98/96/345309896.db2.gz OMKGAWRJPAPEPU-RKDXNWHRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000381320913 345311094 /nfs/dbraw/zinc/31/10/94/345311094.db2.gz OSRQBTLELBICTP-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000381320918 345311185 /nfs/dbraw/zinc/31/11/85/345311185.db2.gz OSRQBTLELBICTP-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000381320921 345311347 /nfs/dbraw/zinc/31/13/47/345311347.db2.gz OSRQBTLELBICTP-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000381320924 345311055 /nfs/dbraw/zinc/31/10/55/345311055.db2.gz OSRQBTLELBICTP-ZRUFSTJUSA-N 1 0 237.309 3.599 20 0 BHADRO CCc1ccc(C[NH2+]CCC2(F)CCC2)s1 ZINC000381321363 367380773 /nfs/dbraw/zinc/38/07/73/367380773.db2.gz OWZBUBUBNLNQQB-UHFFFAOYSA-N 1 0 241.375 3.682 20 0 BHADRO CC1(C[NH2+]C2CC(C(F)F)C2)CCCCC1 ZINC000381322112 710621405 /nfs/dbraw/zinc/62/14/05/710621405.db2.gz PDAFHBYVYOHXQH-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2(C)CC2)oc1C ZINC000381322203 710621490 /nfs/dbraw/zinc/62/14/90/710621490.db2.gz PGHURHOFHSYZPS-CMPLNLGQSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)oc1C ZINC000381322204 710621295 /nfs/dbraw/zinc/62/12/95/710621295.db2.gz PGHURHOFHSYZPS-JQWIXIFHSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)oc1C ZINC000381322205 710621194 /nfs/dbraw/zinc/62/11/94/710621194.db2.gz PGHURHOFHSYZPS-PWSUYJOCSA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)oc1C ZINC000381322206 710621123 /nfs/dbraw/zinc/62/11/23/710621123.db2.gz PGHURHOFHSYZPS-ZYHUDNBSSA-N 1 0 221.344 3.736 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000381323595 367381659 /nfs/dbraw/zinc/38/16/59/367381659.db2.gz PWONKLUKIOQESC-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000381323596 367381402 /nfs/dbraw/zinc/38/14/02/367381402.db2.gz PWONKLUKIOQESC-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000381323600 367381017 /nfs/dbraw/zinc/38/10/17/367381017.db2.gz PWONKLUKIOQESC-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000381323602 367381308 /nfs/dbraw/zinc/38/13/08/367381308.db2.gz PWONKLUKIOQESC-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000381324105 367380810 /nfs/dbraw/zinc/38/08/10/367380810.db2.gz ALVKSHHWQQEPTF-GFCCVEGCSA-N 1 0 237.412 3.828 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000381324107 367381515 /nfs/dbraw/zinc/38/15/15/367381515.db2.gz ALVKSHHWQQEPTF-LBPRGKRZSA-N 1 0 237.412 3.828 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000381324111 367380804 /nfs/dbraw/zinc/38/08/04/367380804.db2.gz AMTAJBLRSQGDEA-CYBMUJFWSA-N 1 0 235.758 3.762 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000381324113 367380780 /nfs/dbraw/zinc/38/07/80/367380780.db2.gz AMTAJBLRSQGDEA-ZDUSSCGKSA-N 1 0 235.758 3.762 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000381324234 538998462 /nfs/dbraw/zinc/99/84/62/538998462.db2.gz QCRWLEQXFRRINE-JTQLQIEISA-N 1 0 238.400 3.767 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000381324236 538467400 /nfs/dbraw/zinc/46/74/00/538467400.db2.gz QCRWLEQXFRRINE-SNVBAGLBSA-N 1 0 238.400 3.767 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1CC ZINC000381324349 345323501 /nfs/dbraw/zinc/32/35/01/345323501.db2.gz QFSQOEKZEHZNFF-RFQIPJPRSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1CC ZINC000381324351 345323466 /nfs/dbraw/zinc/32/34/66/345323466.db2.gz QFSQOEKZEHZNFF-XDQVBPFNSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1CC ZINC000381324353 345323190 /nfs/dbraw/zinc/32/31/90/345323190.db2.gz QFSQOEKZEHZNFF-YIYPIFLZSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1CC ZINC000381324355 345322986 /nfs/dbraw/zinc/32/29/86/345322986.db2.gz QFSQOEKZEHZNFF-ZOBORPQBSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCCC1)C1CC1 ZINC000381325006 345326910 /nfs/dbraw/zinc/32/69/10/345326910.db2.gz QOPWTEVZFOCBDF-GFCCVEGCSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCCC1)C1CC1 ZINC000381325008 345327100 /nfs/dbraw/zinc/32/71/00/345327100.db2.gz QOPWTEVZFOCBDF-LBPRGKRZSA-N 1 0 221.388 3.901 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)(C)C)cc(C)c1O ZINC000381326031 384228716 /nfs/dbraw/zinc/22/87/16/384228716.db2.gz HGJIJRMRGPVZRV-UHFFFAOYSA-N 1 0 249.398 3.923 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cs1 ZINC000381326195 367381712 /nfs/dbraw/zinc/38/17/12/367381712.db2.gz ACILYILUAWTGGS-LLVKDONJSA-N 1 0 235.396 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)cs1 ZINC000381326196 367381026 /nfs/dbraw/zinc/38/10/26/367381026.db2.gz ACILYILUAWTGGS-NSHDSACASA-N 1 0 235.396 3.897 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC1CCC1 ZINC000381326441 367380815 /nfs/dbraw/zinc/38/08/15/367380815.db2.gz RGUGIBFNPDTVJU-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC1CCC1 ZINC000381326451 367381137 /nfs/dbraw/zinc/38/11/37/367381137.db2.gz RGUGIBFNPDTVJU-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000381329772 384243591 /nfs/dbraw/zinc/24/35/91/384243591.db2.gz SQWSRAOTUWUBMQ-GHMZBOCLSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H]([NH2+]CC1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000381329773 345339506 /nfs/dbraw/zinc/33/95/06/345339506.db2.gz SQWSRAOTUWUBMQ-MNOVXSKESA-N 1 0 237.774 3.832 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1CC1 ZINC000381329774 345339481 /nfs/dbraw/zinc/33/94/81/345339481.db2.gz SQWSRAOTUWUBMQ-QWRGUYRKSA-N 1 0 237.774 3.832 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000381329775 345339510 /nfs/dbraw/zinc/33/95/10/345339510.db2.gz SQWSRAOTUWUBMQ-WDEREUQCSA-N 1 0 237.774 3.832 20 0 BHADRO CCC(CC)(C[NH2+]Cc1cc(C)cc(C)c1)OC ZINC000381332198 367382763 /nfs/dbraw/zinc/38/27/63/367382763.db2.gz ILPZJPDTERYFLJ-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO CSCCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381332910 367382590 /nfs/dbraw/zinc/38/25/90/367382590.db2.gz BYKSOPAUFWCLFS-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CSCCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381332912 367382712 /nfs/dbraw/zinc/38/27/12/367382712.db2.gz BYKSOPAUFWCLFS-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2csc(C)c2)o1 ZINC000381332927 398252441 /nfs/dbraw/zinc/25/24/41/398252441.db2.gz BZGCOSFMYZDUDK-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2csc(C)c2)o1 ZINC000381332928 398252528 /nfs/dbraw/zinc/25/25/28/398252528.db2.gz BZGCOSFMYZDUDK-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000381334142 367383065 /nfs/dbraw/zinc/38/30/65/367383065.db2.gz UZKQWUDXOLBNOS-DGTMBMJNSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000381334145 367382225 /nfs/dbraw/zinc/38/22/25/367382225.db2.gz UZKQWUDXOLBNOS-KSTCHIGDSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000381334149 367382951 /nfs/dbraw/zinc/38/29/51/367382951.db2.gz UZKQWUDXOLBNOS-POQQGIQPSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000381334152 367382446 /nfs/dbraw/zinc/38/24/46/367382446.db2.gz UZKQWUDXOLBNOS-RGDJUOJXSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000381335443 710623794 /nfs/dbraw/zinc/62/37/94/710623794.db2.gz VMXANVXGHANCKP-CKYFFXLPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000381335447 710624306 /nfs/dbraw/zinc/62/43/06/710624306.db2.gz VMXANVXGHANCKP-FOGDFJRCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000381335455 710623865 /nfs/dbraw/zinc/62/38/65/710623865.db2.gz VMXANVXGHANCKP-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000381335456 710624395 /nfs/dbraw/zinc/62/43/95/710624395.db2.gz VMXANVXGHANCKP-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000381336216 367383350 /nfs/dbraw/zinc/38/33/50/367383350.db2.gz VTBZZPIHYYBUAV-UHFFFAOYSA-N 1 0 240.416 3.775 20 0 BHADRO C[C@H](C[NH2+]CCC1CC1)c1cccc(Cl)c1 ZINC000381336235 538998235 /nfs/dbraw/zinc/99/82/35/538998235.db2.gz VTNCNDJMLVIRLQ-LLVKDONJSA-N 1 0 237.774 3.833 20 0 BHADRO C[C@@H](C[NH2+]CCC1CC1)c1cccc(Cl)c1 ZINC000381336236 538998707 /nfs/dbraw/zinc/99/87/07/538998707.db2.gz VTNCNDJMLVIRLQ-NSHDSACASA-N 1 0 237.774 3.833 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000381336739 538998848 /nfs/dbraw/zinc/99/88/48/538998848.db2.gz VZIPHNXCKADOJF-CHWSQXEVSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000381336741 538998962 /nfs/dbraw/zinc/99/89/62/538998962.db2.gz VZIPHNXCKADOJF-OLZOCXBDSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000381336743 538998631 /nfs/dbraw/zinc/99/86/31/538998631.db2.gz VZIPHNXCKADOJF-QWHCGFSZSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000381336746 538998524 /nfs/dbraw/zinc/99/85/24/538998524.db2.gz VZIPHNXCKADOJF-STQMWFEESA-N 1 0 241.444 3.546 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)cc2C)cs1 ZINC000381337066 345386349 /nfs/dbraw/zinc/38/63/49/345386349.db2.gz ASNICTVVRDRZTH-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1occc1C ZINC000381337495 345387148 /nfs/dbraw/zinc/38/71/48/345387148.db2.gz WGPWOWYITZZSQR-CYBMUJFWSA-N 1 0 221.344 3.813 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1occc1C ZINC000381337496 345387187 /nfs/dbraw/zinc/38/71/87/345387187.db2.gz WGPWOWYITZZSQR-ZDUSSCGKSA-N 1 0 221.344 3.813 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000381340350 710623813 /nfs/dbraw/zinc/62/38/13/710623813.db2.gz XIWOGRUCEUGSIX-CKYFFXLPSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000381340351 710624353 /nfs/dbraw/zinc/62/43/53/710624353.db2.gz XIWOGRUCEUGSIX-FOGDFJRCSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000381340352 710624153 /nfs/dbraw/zinc/62/41/53/710624153.db2.gz XIWOGRUCEUGSIX-JFGNBEQYSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000381340355 710623951 /nfs/dbraw/zinc/62/39/51/710623951.db2.gz XIWOGRUCEUGSIX-SCVCMEIPSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381340881 367384121 /nfs/dbraw/zinc/38/41/21/367384121.db2.gz XOWDXVKWSOMBOB-GFCCVEGCSA-N 1 0 243.753 3.913 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000381340883 367384394 /nfs/dbraw/zinc/38/43/94/367384394.db2.gz XOWDXVKWSOMBOB-LBPRGKRZSA-N 1 0 243.753 3.913 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCC2)ccc1F ZINC000381341216 345407048 /nfs/dbraw/zinc/40/70/48/345407048.db2.gz XRNOEMYZZWAFGL-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCC2)ccc1F ZINC000381341218 345407132 /nfs/dbraw/zinc/40/71/32/345407132.db2.gz XRNOEMYZZWAFGL-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)s1 ZINC000381343959 710625465 /nfs/dbraw/zinc/62/54/65/710625465.db2.gz YHVWYNUJUXUUCO-PSASIEDQSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)s1 ZINC000381343961 710625631 /nfs/dbraw/zinc/62/56/31/710625631.db2.gz YHVWYNUJUXUUCO-SCZZXKLOSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)s1 ZINC000381343962 710624809 /nfs/dbraw/zinc/62/48/09/710624809.db2.gz YHVWYNUJUXUUCO-WCBMZHEXSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)s1 ZINC000381343963 710625508 /nfs/dbraw/zinc/62/55/08/710625508.db2.gz YHVWYNUJUXUUCO-WPRPVWTQSA-N 1 0 238.400 3.599 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C=CCCC2)C1 ZINC000381344378 367383884 /nfs/dbraw/zinc/38/38/84/367383884.db2.gz YKFHMKOXKFMIRY-AEGPPILISA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2C=CCCC2)C1 ZINC000381344380 345420941 /nfs/dbraw/zinc/42/09/41/345420941.db2.gz YKFHMKOXKFMIRY-CFVMTHIKSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2C=CCCC2)C1 ZINC000381344384 345421377 /nfs/dbraw/zinc/42/13/77/345421377.db2.gz YKFHMKOXKFMIRY-NWANDNLSSA-N 1 0 219.372 3.677 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C=CCCC2)C1 ZINC000381344385 345421327 /nfs/dbraw/zinc/42/13/27/345421327.db2.gz YKFHMKOXKFMIRY-QEJZJMRPSA-N 1 0 219.372 3.677 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]CC(C(C)C)C(C)C)OC ZINC000381344836 538109461 /nfs/dbraw/zinc/10/94/61/538109461.db2.gz CPFIMSUIHHTNPC-DZGCQCFKSA-N 1 0 243.435 3.565 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]CC(C(C)C)C(C)C)OC ZINC000381344842 367384285 /nfs/dbraw/zinc/38/42/85/367384285.db2.gz CPFIMSUIHHTNPC-HIFRSBDPSA-N 1 0 243.435 3.565 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]CC(C(C)C)C(C)C)OC ZINC000381344843 367384235 /nfs/dbraw/zinc/38/42/35/367384235.db2.gz CPFIMSUIHHTNPC-UKRRQHHQSA-N 1 0 243.435 3.565 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]CC(C(C)C)C(C)C)OC ZINC000381344844 367383888 /nfs/dbraw/zinc/38/38/88/367383888.db2.gz CPFIMSUIHHTNPC-ZFWWWQNUSA-N 1 0 243.435 3.565 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000381344866 367383966 /nfs/dbraw/zinc/38/39/66/367383966.db2.gz YQPDDQNOWOBYRK-JTQLQIEISA-N 1 0 235.758 3.933 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000381344867 367384311 /nfs/dbraw/zinc/38/43/11/367384311.db2.gz YQPDDQNOWOBYRK-SNVBAGLBSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CC)OC ZINC000381346885 367383935 /nfs/dbraw/zinc/38/39/35/367383935.db2.gz DEHDJPDZQIJRQA-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1CC)OC ZINC000381346887 367384221 /nfs/dbraw/zinc/38/42/21/367384221.db2.gz DEHDJPDZQIJRQA-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CC)OC ZINC000381346889 345429897 /nfs/dbraw/zinc/42/98/97/345429897.db2.gz DEHDJPDZQIJRQA-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CC)OC ZINC000381346891 345429911 /nfs/dbraw/zinc/42/99/11/345429911.db2.gz DEHDJPDZQIJRQA-YJNKXOJESA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc([C@@H]([NH2+]CCF)C(C)(C)C)c1 ZINC000381349329 345436880 /nfs/dbraw/zinc/43/68/80/345436880.db2.gz BHIDACRKMLHDLM-CYBMUJFWSA-N 1 0 223.335 3.641 20 0 BHADRO Cc1cccc([C@H]([NH2+]CCF)C(C)(C)C)c1 ZINC000381349333 345436576 /nfs/dbraw/zinc/43/65/76/345436576.db2.gz BHIDACRKMLHDLM-ZDUSSCGKSA-N 1 0 223.335 3.641 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2occc2C)cs1 ZINC000381349452 367385812 /nfs/dbraw/zinc/38/58/12/367385812.db2.gz HOSCDIJZVRFDHM-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2occc2C)cs1 ZINC000381349453 367385731 /nfs/dbraw/zinc/38/57/31/367385731.db2.gz HOSCDIJZVRFDHM-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCC1 ZINC000381350038 538998904 /nfs/dbraw/zinc/99/89/04/538998904.db2.gz BLIIIVSJXPETKE-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000381350047 538998614 /nfs/dbraw/zinc/99/86/14/538998614.db2.gz BLIIIVSJXPETKE-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCC1 ZINC000381350050 538998899 /nfs/dbraw/zinc/99/88/99/538998899.db2.gz BLIIIVSJXPETKE-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000381350053 538998955 /nfs/dbraw/zinc/99/89/55/538998955.db2.gz BLIIIVSJXPETKE-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H](C)[C@@H](C)OC ZINC000381350304 538998709 /nfs/dbraw/zinc/99/87/09/538998709.db2.gz BNKTYMXDTOQZQM-BFHYXJOUSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)[C@H](C)OC ZINC000381350331 538998536 /nfs/dbraw/zinc/99/85/36/538998536.db2.gz BNKTYMXDTOQZQM-IHRRRGAJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H](C)[C@H](C)OC ZINC000381350339 538998882 /nfs/dbraw/zinc/99/88/82/538998882.db2.gz BNKTYMXDTOQZQM-MELADBBJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)[C@@H](C)OC ZINC000381350351 538998858 /nfs/dbraw/zinc/99/88/58/538998858.db2.gz BNKTYMXDTOQZQM-MJBXVCDLSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[C@@H](C)C1 ZINC000381351159 367385378 /nfs/dbraw/zinc/38/53/78/367385378.db2.gz AVPAPGSECQTWEM-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCC[C@@H](C)C1 ZINC000381351161 367385542 /nfs/dbraw/zinc/38/55/42/367385542.db2.gz AVPAPGSECQTWEM-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000381351162 367385767 /nfs/dbraw/zinc/38/57/67/367385767.db2.gz BUSGDWYQRDQJJH-NEPJUHHUSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000381351203 345440827 /nfs/dbraw/zinc/44/08/27/345440827.db2.gz AWQNLRRVMHQJIS-CYBMUJFWSA-N 1 0 217.356 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000381351204 345440958 /nfs/dbraw/zinc/44/09/58/345440958.db2.gz AWQNLRRVMHQJIS-ZDUSSCGKSA-N 1 0 217.356 3.836 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CCC(F)(F)CC1 ZINC000381351373 538998973 /nfs/dbraw/zinc/99/89/73/538998973.db2.gz AZLLXDLEHJSESK-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CCC(F)(F)CC1 ZINC000381351380 538998997 /nfs/dbraw/zinc/99/89/97/538998997.db2.gz AZLLXDLEHJSESK-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CSC1)c1cc2ccccc2s1 ZINC000381351440 538998495 /nfs/dbraw/zinc/99/84/95/538998495.db2.gz BAJAIGXANGIIRT-SECBINFHSA-N 1 0 249.404 3.667 20 0 BHADRO C[C@H]([NH2+]C1CSC1)c1cc2ccccc2s1 ZINC000381351441 538998797 /nfs/dbraw/zinc/99/87/97/538998797.db2.gz BAJAIGXANGIIRT-VIFPVBQESA-N 1 0 249.404 3.667 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000381351527 345444461 /nfs/dbraw/zinc/44/44/61/345444461.db2.gz BUSGDWYQRDQJJH-NWDGAFQWSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000381351534 345444418 /nfs/dbraw/zinc/44/44/18/345444418.db2.gz BUSGDWYQRDQJJH-RYUDHWBXSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000381351535 345444569 /nfs/dbraw/zinc/44/45/69/345444569.db2.gz BUSGDWYQRDQJJH-VXGBXAGGSA-N 1 0 221.344 3.502 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000381351552 384448023 /nfs/dbraw/zinc/44/80/23/384448023.db2.gz BTOMUOHVHLBQON-GFCCVEGCSA-N 1 0 221.344 3.586 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000381351554 367385547 /nfs/dbraw/zinc/38/55/47/367385547.db2.gz BTOMUOHVHLBQON-LBPRGKRZSA-N 1 0 221.344 3.586 20 0 BHADRO CCC(CC)(CC)C[NH2+]C1CC(C(F)F)C1 ZINC000381352660 710626399 /nfs/dbraw/zinc/62/63/99/710626399.db2.gz CEMKDBKAIZNGJR-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000381353418 367385553 /nfs/dbraw/zinc/38/55/53/367385553.db2.gz CDYYSPITHGJSMP-RYPNDVFKSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000381353419 367385248 /nfs/dbraw/zinc/38/52/48/367385248.db2.gz CDYYSPITHGJSMP-UXXRCYHCSA-N 1 0 221.388 3.591 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000381353539 367386788 /nfs/dbraw/zinc/38/67/88/367386788.db2.gz BXSVYVISXZKJSS-GFCCVEGCSA-N 1 0 233.380 3.658 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000381353553 367387013 /nfs/dbraw/zinc/38/70/13/367387013.db2.gz BXSVYVISXZKJSS-LBPRGKRZSA-N 1 0 233.380 3.658 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000381353940 367386624 /nfs/dbraw/zinc/38/66/24/367386624.db2.gz CPJCZHIMYRZKME-HNNXBMFYSA-N 1 0 217.356 3.918 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000381353948 367386935 /nfs/dbraw/zinc/38/69/35/367386935.db2.gz CPJCZHIMYRZKME-OAHLLOKOSA-N 1 0 217.356 3.918 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381354573 345459646 /nfs/dbraw/zinc/45/96/46/345459646.db2.gz CTOSWIHKZZQVTF-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381354574 345459790 /nfs/dbraw/zinc/45/97/90/345459790.db2.gz CTOSWIHKZZQVTF-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381354575 345459722 /nfs/dbraw/zinc/45/97/22/345459722.db2.gz CTOSWIHKZZQVTF-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(C(F)F)CC1 ZINC000381354579 367386521 /nfs/dbraw/zinc/38/65/21/367386521.db2.gz CTOSWIHKZZQVTF-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc(SC[C@@H](C)[NH2+]CC(C)C)cc1 ZINC000381354841 367386484 /nfs/dbraw/zinc/38/64/84/367386484.db2.gz CDCOTSUIDWEVJR-CYBMUJFWSA-N 1 0 237.412 3.721 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]CC(C)C)cc1 ZINC000381354842 367386424 /nfs/dbraw/zinc/38/64/24/367386424.db2.gz CDCOTSUIDWEVJR-ZDUSSCGKSA-N 1 0 237.412 3.721 20 0 BHADRO CC(C)c1nc([C@H](C)[NH2+]C2CC=CC2)cs1 ZINC000381355515 538998743 /nfs/dbraw/zinc/99/87/43/538998743.db2.gz CQYMUZOSTGKCEJ-JTQLQIEISA-N 1 0 236.384 3.636 20 0 BHADRO CC(C)c1nc([C@@H](C)[NH2+]C2CC=CC2)cs1 ZINC000381355516 538998731 /nfs/dbraw/zinc/99/87/31/538998731.db2.gz CQYMUZOSTGKCEJ-SNVBAGLBSA-N 1 0 236.384 3.636 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cncs1)C1CCC1 ZINC000381356090 367386562 /nfs/dbraw/zinc/38/65/62/367386562.db2.gz DEKQESIRFYUGMO-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cncs1)C1CCC1 ZINC000381356094 367386947 /nfs/dbraw/zinc/38/69/47/367386947.db2.gz DEKQESIRFYUGMO-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)C1CC1 ZINC000381356849 487504922 /nfs/dbraw/zinc/50/49/22/487504922.db2.gz CLMGUTPBMSDKBG-BNOWGMLFSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)C1CC1 ZINC000381356850 487505070 /nfs/dbraw/zinc/50/50/70/487505070.db2.gz CLMGUTPBMSDKBG-KWCYVHTRSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CC1 ZINC000381356853 487505447 /nfs/dbraw/zinc/50/54/47/487505447.db2.gz CLMGUTPBMSDKBG-MRVWCRGKSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)C1CC1 ZINC000381356854 488175779 /nfs/dbraw/zinc/17/57/79/488175779.db2.gz CLMGUTPBMSDKBG-XBFCOCLRSA-N 1 0 227.367 3.541 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000381356855 345475534 /nfs/dbraw/zinc/47/55/34/345475534.db2.gz CLMJLFHQQUAVHO-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000381356856 345475513 /nfs/dbraw/zinc/47/55/13/345475513.db2.gz CLMJLFHQQUAVHO-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C2CC2)CC1 ZINC000381357821 398253199 /nfs/dbraw/zinc/25/31/99/398253199.db2.gz COUCNLJVGKPGGX-GXTWGEPZSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C2CC2)CC1 ZINC000381357829 398253204 /nfs/dbraw/zinc/25/32/04/398253204.db2.gz COUCNLJVGKPGGX-JSGCOSHPSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C2CC2)CC1 ZINC000381357830 398253212 /nfs/dbraw/zinc/25/32/12/398253212.db2.gz COUCNLJVGKPGGX-OCCSQVGLSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C2CC2)CC1 ZINC000381357837 345475497 /nfs/dbraw/zinc/47/54/97/345475497.db2.gz COUCNLJVGKPGGX-TZMCWYRMSA-N 1 0 219.372 3.511 20 0 BHADRO CCC1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000381357874 538999349 /nfs/dbraw/zinc/99/93/49/538999349.db2.gz DEKNBEHRPFPVPY-HTAVTVPLSA-N 1 0 231.330 3.733 20 0 BHADRO CCC1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000381357880 538999245 /nfs/dbraw/zinc/99/92/45/538999245.db2.gz DEKNBEHRPFPVPY-MCIGGMRASA-N 1 0 231.330 3.733 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccc(C)c(F)c2)cs1 ZINC000381358914 367387954 /nfs/dbraw/zinc/38/79/54/367387954.db2.gz GSRHPAZQNIZISU-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(CSC)cc1 ZINC000381358956 345483302 /nfs/dbraw/zinc/48/33/02/345483302.db2.gz FCAIAHNISZOZPD-GFCCVEGCSA-N 1 0 237.412 3.685 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(CSC)cc1 ZINC000381358958 345483829 /nfs/dbraw/zinc/48/38/29/345483829.db2.gz FCAIAHNISZOZPD-LBPRGKRZSA-N 1 0 237.412 3.685 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1cccc(C)c1 ZINC000381359197 345493281 /nfs/dbraw/zinc/49/32/81/345493281.db2.gz FDBHZWNRYIWDOI-UHFFFAOYSA-N 1 0 219.372 3.563 20 0 BHADRO CC[C@@H](F)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000381359360 345492085 /nfs/dbraw/zinc/49/20/85/345492085.db2.gz FFXSEUVLGZDHBM-GFCCVEGCSA-N 1 0 241.737 3.667 20 0 BHADRO CC[C@H](F)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000381359361 345491983 /nfs/dbraw/zinc/49/19/83/345491983.db2.gz FFXSEUVLGZDHBM-LBPRGKRZSA-N 1 0 241.737 3.667 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)C(C)(C)OC ZINC000381359916 345505187 /nfs/dbraw/zinc/50/51/87/345505187.db2.gz FJJKTJQNKBSOTO-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)C(C)(C)OC ZINC000381359918 345505087 /nfs/dbraw/zinc/50/50/87/345505087.db2.gz FJJKTJQNKBSOTO-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)c1ccco1)C(C)(C)C ZINC000381363403 345537843 /nfs/dbraw/zinc/53/78/43/345537843.db2.gz GCKSUPJKAXCBHP-CMPLNLGQSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)c1ccco1)C(C)(C)C ZINC000381363412 345531658 /nfs/dbraw/zinc/53/16/58/345531658.db2.gz GCKSUPJKAXCBHP-JQWIXIFHSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)c1ccco1)C(C)(C)C ZINC000381363417 345531713 /nfs/dbraw/zinc/53/17/13/345531713.db2.gz GCKSUPJKAXCBHP-PWSUYJOCSA-N 1 0 241.400 3.708 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)c1ccco1)C(C)(C)C ZINC000381363419 345531422 /nfs/dbraw/zinc/53/14/22/345531422.db2.gz GCKSUPJKAXCBHP-ZYHUDNBSSA-N 1 0 241.400 3.708 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCCc1ccsc1 ZINC000381364548 367388682 /nfs/dbraw/zinc/38/86/82/367388682.db2.gz DSPUAYOEBVBLAH-CYBMUJFWSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCCc1ccsc1 ZINC000381364558 367388591 /nfs/dbraw/zinc/38/85/91/367388591.db2.gz DSPUAYOEBVBLAH-ZDUSSCGKSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccccc1SC ZINC000381364758 367389048 /nfs/dbraw/zinc/38/90/48/367389048.db2.gz GNCNMGUSBILNTJ-QWRGUYRKSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccccc1SC ZINC000381364764 345542626 /nfs/dbraw/zinc/54/26/26/345542626.db2.gz GNCNMGUSBILNTJ-WDEREUQCSA-N 1 0 241.375 3.807 20 0 BHADRO COc1ccsc1C[NH2+]CC(C)(C)C(C)C ZINC000381364833 367389000 /nfs/dbraw/zinc/38/90/00/367389000.db2.gz GNUVXCLGAXKHJV-UHFFFAOYSA-N 1 0 241.400 3.529 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C1CC1 ZINC000381366134 345556737 /nfs/dbraw/zinc/55/67/37/345556737.db2.gz GXRCRENCLDSVHO-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000381366135 345556783 /nfs/dbraw/zinc/55/67/83/345556783.db2.gz GXRCRENCLDSVHO-MHEUCROKSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000381366136 345556716 /nfs/dbraw/zinc/55/67/16/345556716.db2.gz GXRCRENCLDSVHO-MYPMTAMASA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000381366137 345556682 /nfs/dbraw/zinc/55/66/82/345556682.db2.gz GXRCRENCLDSVHO-NGFQHRJXSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)C1CCCCC1 ZINC000381366155 345557654 /nfs/dbraw/zinc/55/76/54/345557654.db2.gz GYAHGAZBFDCLSN-AWEZNQCLSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)C1CCCCC1 ZINC000381366157 345557463 /nfs/dbraw/zinc/55/74/63/345557463.db2.gz GYAHGAZBFDCLSN-CQSZACIVSA-N 1 0 221.388 3.878 20 0 BHADRO C(CC1CCC1)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000381366779 710628657 /nfs/dbraw/zinc/62/86/57/710628657.db2.gz GJQLAQBIQFDASN-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000381366783 710628445 /nfs/dbraw/zinc/62/84/45/710628445.db2.gz GJQLAQBIQFDASN-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000381366785 710628239 /nfs/dbraw/zinc/62/82/39/710628239.db2.gz GJQLAQBIQFDASN-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCC1)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000381366786 710628309 /nfs/dbraw/zinc/62/83/09/710628309.db2.gz GJQLAQBIQFDASN-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CCC[C@H](C)C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000381367305 345561337 /nfs/dbraw/zinc/56/13/37/345561337.db2.gz HECATDLYDDIKDT-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000381367306 345562106 /nfs/dbraw/zinc/56/21/06/345562106.db2.gz HECATDLYDDIKDT-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000381367324 710628035 /nfs/dbraw/zinc/62/80/35/710628035.db2.gz HFDWGSREULKMAF-JHJVBQTASA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000381367325 710628291 /nfs/dbraw/zinc/62/82/91/710628291.db2.gz HFDWGSREULKMAF-UPJWGTAASA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@H](C)C1 ZINC000381367326 710628665 /nfs/dbraw/zinc/62/86/65/710628665.db2.gz HFDWGSREULKMAF-XQQFMLRXSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000381367327 710628600 /nfs/dbraw/zinc/62/86/00/710628600.db2.gz HFDWGSREULKMAF-YNEHKIRRSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]C1CCC(C)(C)CC1)OC ZINC000381367830 345571082 /nfs/dbraw/zinc/57/10/82/345571082.db2.gz ILIJFDMNIYFHGH-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]C1CCC(C)(C)CC1)OC ZINC000381367831 345571109 /nfs/dbraw/zinc/57/11/09/345571109.db2.gz ILIJFDMNIYFHGH-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]C1CCC(C)(C)CC1)OC ZINC000381367832 345571306 /nfs/dbraw/zinc/57/13/06/345571306.db2.gz ILIJFDMNIYFHGH-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]C1CCC(C)(C)CC1)OC ZINC000381367834 367388622 /nfs/dbraw/zinc/38/86/22/367388622.db2.gz ILIJFDMNIYFHGH-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000381367940 345571903 /nfs/dbraw/zinc/57/19/03/345571903.db2.gz GSIXXPOILGNSBG-NGFQHRJXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000381367943 345572316 /nfs/dbraw/zinc/57/23/16/345572316.db2.gz GSIXXPOILGNSBG-NMFUWQPSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000381367947 345572312 /nfs/dbraw/zinc/57/23/12/345572312.db2.gz GSIXXPOILGNSBG-REBRKWNGSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000381367948 345572198 /nfs/dbraw/zinc/57/21/98/345572198.db2.gz GSIXXPOILGNSBG-RZFFKMDDSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCCC1 ZINC000381369220 367389221 /nfs/dbraw/zinc/38/92/21/367389221.db2.gz HSQJQUUFUHYYKK-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1CCCC1 ZINC000381369230 367388771 /nfs/dbraw/zinc/38/87/71/367388771.db2.gz HSQJQUUFUHYYKK-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CCCC1 ZINC000381369236 345580952 /nfs/dbraw/zinc/58/09/52/345580952.db2.gz HSQJQUUFUHYYKK-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CCCC1 ZINC000381369237 345580611 /nfs/dbraw/zinc/58/06/11/345580611.db2.gz HSQJQUUFUHYYKK-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000381369467 367388703 /nfs/dbraw/zinc/38/87/03/367388703.db2.gz HWYOPWSNVLHDIY-AWEZNQCLSA-N 1 0 215.340 3.670 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000381369475 345581160 /nfs/dbraw/zinc/58/11/60/345581160.db2.gz HWYOPWSNVLHDIY-CQSZACIVSA-N 1 0 215.340 3.670 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC000381369816 345583551 /nfs/dbraw/zinc/58/35/51/345583551.db2.gz HEVGEVOKVKMQPM-GHMZBOCLSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC000381369822 345584309 /nfs/dbraw/zinc/58/43/09/345584309.db2.gz HEVGEVOKVKMQPM-MNOVXSKESA-N 1 0 235.293 3.521 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC000381369823 345584447 /nfs/dbraw/zinc/58/44/47/345584447.db2.gz HEVGEVOKVKMQPM-QWRGUYRKSA-N 1 0 235.293 3.521 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC000381369825 345584072 /nfs/dbraw/zinc/58/40/72/345584072.db2.gz HEVGEVOKVKMQPM-WDEREUQCSA-N 1 0 235.293 3.521 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC000381369993 710629404 /nfs/dbraw/zinc/62/94/04/710629404.db2.gz IAUSOXYZLCBSCT-DZGCQCFKSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1c(C)cccc1C ZINC000381369994 710629245 /nfs/dbraw/zinc/62/92/45/710629245.db2.gz IAUSOXYZLCBSCT-HIFRSBDPSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC000381369995 710629391 /nfs/dbraw/zinc/62/93/91/710629391.db2.gz IAUSOXYZLCBSCT-UKRRQHHQSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1c(C)cccc1C ZINC000381369997 710629428 /nfs/dbraw/zinc/62/94/28/710629428.db2.gz IAUSOXYZLCBSCT-ZFWWWQNUSA-N 1 0 217.356 3.582 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C)n2)cs1 ZINC000381370283 345582940 /nfs/dbraw/zinc/58/29/40/345582940.db2.gz MKOOVMBPSZAUET-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(C)n2)cs1 ZINC000381370285 367389377 /nfs/dbraw/zinc/38/93/77/367389377.db2.gz MKOOVMBPSZAUET-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCC2CC2)c1 ZINC000381372398 345632411 /nfs/dbraw/zinc/63/24/11/345632411.db2.gz ITSVJVPUZKMTNU-UHFFFAOYSA-N 1 0 217.356 3.620 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000381373069 367390553 /nfs/dbraw/zinc/39/05/53/367390553.db2.gz IZANUUKFMIZYJY-COPLHBTASA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000381373080 345646806 /nfs/dbraw/zinc/64/68/06/345646806.db2.gz IZANUUKFMIZYJY-JTNHKYCSSA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000381373081 345646733 /nfs/dbraw/zinc/64/67/33/345646733.db2.gz IZANUUKFMIZYJY-MISXGVKJSA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000381373082 345646918 /nfs/dbraw/zinc/64/69/18/345646918.db2.gz IZANUUKFMIZYJY-UHIISALHSA-N 1 0 235.396 3.543 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381373755 710629496 /nfs/dbraw/zinc/62/94/96/710629496.db2.gz NILJXMWQEFEYBL-GXSJLCMTSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381373756 710629982 /nfs/dbraw/zinc/62/99/82/710629982.db2.gz NILJXMWQEFEYBL-KOLCDFICSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381373758 710629659 /nfs/dbraw/zinc/62/96/59/710629659.db2.gz NILJXMWQEFEYBL-MWLCHTKSSA-N 1 0 243.441 3.849 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381373759 710629109 /nfs/dbraw/zinc/62/91/09/710629109.db2.gz NILJXMWQEFEYBL-ONGXEEELSA-N 1 0 243.441 3.849 20 0 BHADRO CCC(CC)[NH2+]CC[C@H](OC)C(CC)CC ZINC000381374330 367390314 /nfs/dbraw/zinc/39/03/14/367390314.db2.gz JFENIJVKLWVAQF-AWEZNQCLSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)[NH2+]CC[C@@H](OC)C(CC)CC ZINC000381374335 367390456 /nfs/dbraw/zinc/39/04/56/367390456.db2.gz JFENIJVKLWVAQF-CQSZACIVSA-N 1 0 229.408 3.606 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000381374958 710629766 /nfs/dbraw/zinc/62/97/66/710629766.db2.gz JJYDGOFMIIANNU-HZSPNIEDSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000381374959 710629530 /nfs/dbraw/zinc/62/95/30/710629530.db2.gz JJYDGOFMIIANNU-IHRRRGAJSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000381374960 710629905 /nfs/dbraw/zinc/62/99/05/710629905.db2.gz JJYDGOFMIIANNU-MELADBBJSA-N 1 0 241.444 3.710 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000381374961 710629984 /nfs/dbraw/zinc/62/99/84/710629984.db2.gz JJYDGOFMIIANNU-RDBSUJKOSA-N 1 0 241.444 3.710 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CCC2CC2)s1 ZINC000381375518 538999278 /nfs/dbraw/zinc/99/92/78/538999278.db2.gz IVZJPAPIIIAPSW-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CCC2CC2)s1 ZINC000381375519 538999219 /nfs/dbraw/zinc/99/92/19/538999219.db2.gz IVZJPAPIIIAPSW-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)s1 ZINC000381375521 538999344 /nfs/dbraw/zinc/99/93/44/538999344.db2.gz IVZJPAPIIIAPSW-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CCC2CC2)s1 ZINC000381375523 538999445 /nfs/dbraw/zinc/99/94/45/538999445.db2.gz IVZJPAPIIIAPSW-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC000381375753 345693816 /nfs/dbraw/zinc/69/38/16/345693816.db2.gz JTHHLBDKJGLTAZ-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CCC[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC000381375754 345693641 /nfs/dbraw/zinc/69/36/41/345693641.db2.gz JTHHLBDKJGLTAZ-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[C@@H](C)C1 ZINC000381375987 345699032 /nfs/dbraw/zinc/69/90/32/345699032.db2.gz IYLAQURLLFOIDK-ITGUQSILSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC([NH2+]CCC2(F)CCC2)C[C@@H](C)C1 ZINC000381375989 345699670 /nfs/dbraw/zinc/69/96/70/345699670.db2.gz IYLAQURLLFOIDK-RYUDHWBXSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]1CC([NH2+]CCC2(F)CCC2)C[C@H](C)C1 ZINC000381375998 345699682 /nfs/dbraw/zinc/69/96/82/345699682.db2.gz IYLAQURLLFOIDK-VXGBXAGGSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CCC1 ZINC000381376388 538999442 /nfs/dbraw/zinc/99/94/42/538999442.db2.gz JXXBLPYWMKVGMZ-CYZMBNFOSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CCC1 ZINC000381376390 538999324 /nfs/dbraw/zinc/99/93/24/538999324.db2.gz JXXBLPYWMKVGMZ-DRZSPHRISA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CCC1 ZINC000381376392 538999379 /nfs/dbraw/zinc/99/93/79/538999379.db2.gz JXXBLPYWMKVGMZ-UHTWSYAYSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CCC1 ZINC000381376393 538999261 /nfs/dbraw/zinc/99/92/61/538999261.db2.gz JXXBLPYWMKVGMZ-WCFLWFBJSA-N 1 0 241.444 3.685 20 0 BHADRO C(CSC1CCCCC1)[NH2+]C1(C2CC2)CC1 ZINC000381377712 367390421 /nfs/dbraw/zinc/39/04/21/367390421.db2.gz JNTWFNXNFMKOQP-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000381377981 367390425 /nfs/dbraw/zinc/39/04/25/367390425.db2.gz KHGMMALAOMKJIS-HSBZDZAISA-N 1 0 241.444 3.688 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000381377982 367390387 /nfs/dbraw/zinc/39/03/87/367390387.db2.gz KHGMMALAOMKJIS-IYXRBSQSSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381378630 367391536 /nfs/dbraw/zinc/39/15/36/367391536.db2.gz ORIVAPIAOJXDFW-CMPLNLGQSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381378632 367391843 /nfs/dbraw/zinc/39/18/43/367391843.db2.gz ORIVAPIAOJXDFW-JQWIXIFHSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)c1csc(C)c1 ZINC000381378633 367391928 /nfs/dbraw/zinc/39/19/28/367391928.db2.gz ORIVAPIAOJXDFW-PWSUYJOCSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)c1csc(C)c1 ZINC000381378634 367391449 /nfs/dbraw/zinc/39/14/49/367391449.db2.gz ORIVAPIAOJXDFW-ZYHUDNBSSA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC1(C)C ZINC000381379536 538999453 /nfs/dbraw/zinc/99/94/53/538999453.db2.gz KXLYMWSEUWJZOL-NEPJUHHUSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC1(C)C ZINC000381379538 538999554 /nfs/dbraw/zinc/99/95/54/538999554.db2.gz KXLYMWSEUWJZOL-NWDGAFQWSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC1(C)C ZINC000381379544 538999173 /nfs/dbraw/zinc/99/91/73/538999173.db2.gz KXLYMWSEUWJZOL-RYUDHWBXSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CC1(C)C ZINC000381379548 538999484 /nfs/dbraw/zinc/99/94/84/538999484.db2.gz KXLYMWSEUWJZOL-VXGBXAGGSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000381379597 345762444 /nfs/dbraw/zinc/76/24/44/345762444.db2.gz KYBNJLFADRAUHK-CFVMTHIKSA-N 1 0 217.356 3.711 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]CCC1CCCCC1)OC ZINC000381379606 367391343 /nfs/dbraw/zinc/39/13/43/367391343.db2.gz LEIKKPCSOBCLGP-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]CCC1CCCCC1)OC ZINC000381379608 367391376 /nfs/dbraw/zinc/39/13/76/367391376.db2.gz LEIKKPCSOBCLGP-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000381379609 367391441 /nfs/dbraw/zinc/39/14/41/367391441.db2.gz KYBNJLFADRAUHK-NWANDNLSSA-N 1 0 217.356 3.711 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]CCC1CCCCC1)OC ZINC000381379610 367391407 /nfs/dbraw/zinc/39/14/07/367391407.db2.gz LEIKKPCSOBCLGP-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]CCC1CCCCC1)OC ZINC000381379611 367391692 /nfs/dbraw/zinc/39/16/92/367391692.db2.gz LEIKKPCSOBCLGP-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cs1 ZINC000381380156 367391633 /nfs/dbraw/zinc/39/16/33/367391633.db2.gz LGZLNXBTVCTUJE-GHMZBOCLSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cs1 ZINC000381380157 367391427 /nfs/dbraw/zinc/39/14/27/367391427.db2.gz LGZLNXBTVCTUJE-QWRGUYRKSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cs1 ZINC000381380158 367391740 /nfs/dbraw/zinc/39/17/40/367391740.db2.gz LGZLNXBTVCTUJE-YABSGUDNSA-N 1 0 237.412 3.971 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000381380672 538999425 /nfs/dbraw/zinc/99/94/25/538999425.db2.gz KLEDUDXEFKZRBM-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381380677 538999233 /nfs/dbraw/zinc/99/92/33/538999233.db2.gz KLEDUDXEFKZRBM-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381380678 538999142 /nfs/dbraw/zinc/99/91/42/538999142.db2.gz KLEDUDXEFKZRBM-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000381380681 538999328 /nfs/dbraw/zinc/99/93/28/538999328.db2.gz KLEDUDXEFKZRBM-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1(C(F)F)CC1)C1CCCCC1 ZINC000381381137 345764012 /nfs/dbraw/zinc/76/40/12/345764012.db2.gz LGLXIKFNCHUYIZ-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+]C1(C(F)F)CC1)C1CCCCC1 ZINC000381381138 345764265 /nfs/dbraw/zinc/76/42/65/345764265.db2.gz LGLXIKFNCHUYIZ-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381381319 710630564 /nfs/dbraw/zinc/63/05/64/710630564.db2.gz LJDSFDJXZYNYED-JTQLQIEISA-N 1 0 240.778 3.569 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381381322 710630302 /nfs/dbraw/zinc/63/03/02/710630302.db2.gz LJDSFDJXZYNYED-SNVBAGLBSA-N 1 0 240.778 3.569 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000381381712 710630671 /nfs/dbraw/zinc/63/06/71/710630671.db2.gz LLFLIEMWJKHBMZ-GHMZBOCLSA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000381381714 710630293 /nfs/dbraw/zinc/63/02/93/710630293.db2.gz LLFLIEMWJKHBMZ-MNOVXSKESA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000381381718 710631043 /nfs/dbraw/zinc/63/10/43/710631043.db2.gz LLFLIEMWJKHBMZ-QWRGUYRKSA-N 1 0 241.400 3.689 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000381381720 710631031 /nfs/dbraw/zinc/63/10/31/710631031.db2.gz LLFLIEMWJKHBMZ-WDEREUQCSA-N 1 0 241.400 3.689 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)CCC)cc1 ZINC000381383552 344499765 /nfs/dbraw/zinc/49/97/65/344499765.db2.gz LXVJSXHAHFWSTB-CYBMUJFWSA-N 1 0 219.372 3.917 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)CCC)cc1 ZINC000381383554 344499596 /nfs/dbraw/zinc/49/95/96/344499596.db2.gz LXVJSXHAHFWSTB-ZDUSSCGKSA-N 1 0 219.372 3.917 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cnccc2C)cs1 ZINC000381384094 367391617 /nfs/dbraw/zinc/39/16/17/367391617.db2.gz PZCVUEBFRPAUIR-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cnccc2C)cs1 ZINC000381384095 345776484 /nfs/dbraw/zinc/77/64/84/345776484.db2.gz PZCVUEBFRPAUIR-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381384420 710630991 /nfs/dbraw/zinc/63/09/91/710630991.db2.gz LNDUSRRWBZSOHE-GWCFXTLKSA-N 1 0 235.396 3.515 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381384422 710630885 /nfs/dbraw/zinc/63/08/85/710630885.db2.gz LNDUSRRWBZSOHE-GXFFZTMASA-N 1 0 235.396 3.515 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381384427 710631087 /nfs/dbraw/zinc/63/10/87/710631087.db2.gz LNDUSRRWBZSOHE-MFKMUULPSA-N 1 0 235.396 3.515 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000381384430 710630802 /nfs/dbraw/zinc/63/08/02/710630802.db2.gz LNDUSRRWBZSOHE-ZWNOBZJWSA-N 1 0 235.396 3.515 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccncc1Cl ZINC000381385259 367391698 /nfs/dbraw/zinc/39/16/98/367391698.db2.gz LTJPBUDUJLOUDX-UHFFFAOYSA-N 1 0 240.778 3.649 20 0 BHADRO CCc1ccccc1C[NH2+]C1CC(CC)C1 ZINC000381385271 367391997 /nfs/dbraw/zinc/39/19/97/367391997.db2.gz MMDXKLQEOTUEEZ-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](F)CC)cc1 ZINC000381386404 345787801 /nfs/dbraw/zinc/78/78/01/345787801.db2.gz MWHBWZVOOUVRKD-SMDDNHRTSA-N 1 0 223.335 3.648 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)C[C@@H](C)CC ZINC000381387586 367392914 /nfs/dbraw/zinc/39/29/14/367392914.db2.gz NCCKLGOTCDUJGW-BFHYXJOUSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)C[C@H](C)CC ZINC000381387587 367392951 /nfs/dbraw/zinc/39/29/51/367392951.db2.gz NCCKLGOTCDUJGW-HZSPNIEDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)C[C@@H](C)CC ZINC000381387588 367392713 /nfs/dbraw/zinc/39/27/13/367392713.db2.gz NCCKLGOTCDUJGW-MELADBBJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)C[C@H](C)CC ZINC000381387589 367392799 /nfs/dbraw/zinc/39/27/99/367392799.db2.gz NCCKLGOTCDUJGW-MGPQQGTHSA-N 1 0 229.408 3.606 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381387776 710630957 /nfs/dbraw/zinc/63/09/57/710630957.db2.gz NEJWAXYZUWZGTA-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381387801 710630330 /nfs/dbraw/zinc/63/03/30/710630330.db2.gz NEJWAXYZUWZGTA-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381387819 710631049 /nfs/dbraw/zinc/63/10/49/710631049.db2.gz NEJWAXYZUWZGTA-XQQFMLRXSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381387822 710630262 /nfs/dbraw/zinc/63/02/62/710630262.db2.gz NEJWAXYZUWZGTA-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)s1 ZINC000381388089 538999825 /nfs/dbraw/zinc/99/98/25/538999825.db2.gz MRSZBWHIZSAHLD-NXEZZACHSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)s1 ZINC000381388091 538999749 /nfs/dbraw/zinc/99/97/49/538999749.db2.gz MRSZBWHIZSAHLD-UWVGGRQHSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)s1 ZINC000381388096 538999645 /nfs/dbraw/zinc/99/96/45/538999645.db2.gz MRSZBWHIZSAHLD-VHSXEESVSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)s1 ZINC000381388098 538999985 /nfs/dbraw/zinc/99/99/85/538999985.db2.gz MRSZBWHIZSAHLD-ZJUUUORDSA-N 1 0 245.338 3.895 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000381389689 345791503 /nfs/dbraw/zinc/79/15/03/345791503.db2.gz NSKCXBLXNFKNKX-FQKPHLNHSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000381389692 345791802 /nfs/dbraw/zinc/79/18/02/345791802.db2.gz NSKCXBLXNFKNKX-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000381389694 345791758 /nfs/dbraw/zinc/79/17/58/345791758.db2.gz NSKCXBLXNFKNKX-QMIVOQANSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000381389697 345791685 /nfs/dbraw/zinc/79/16/85/345791685.db2.gz NSKCXBLXNFKNKX-RYPNDVFKSA-N 1 0 221.388 3.733 20 0 BHADRO CCCc1csc(C[NH2+]CC(CC)CC)n1 ZINC000381390259 538999790 /nfs/dbraw/zinc/99/97/90/538999790.db2.gz NXPUTJBMDHXYFH-UHFFFAOYSA-N 1 0 240.416 3.621 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccsc1 ZINC000381391378 367392435 /nfs/dbraw/zinc/39/24/35/367392435.db2.gz NLZRAHKTPNGPET-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)CCC1CC1 ZINC000381391388 367392466 /nfs/dbraw/zinc/39/24/66/367392466.db2.gz NLZRAHKTPNGPET-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccsc1 ZINC000381391396 367393039 /nfs/dbraw/zinc/39/30/39/367393039.db2.gz NLZRAHKTPNGPET-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)Cc1ccsc1 ZINC000381391408 367392985 /nfs/dbraw/zinc/39/29/85/367392985.db2.gz NLZRAHKTPNGPET-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]CC1CCCCCC1)OC ZINC000381391756 367392904 /nfs/dbraw/zinc/39/29/04/367392904.db2.gz NUSMVQOORLBIQA-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]CC1CCCCCC1)OC ZINC000381391757 367393042 /nfs/dbraw/zinc/39/30/42/367393042.db2.gz NUSMVQOORLBIQA-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]CC1CCCCCC1)OC ZINC000381391759 367392823 /nfs/dbraw/zinc/39/28/23/367392823.db2.gz NUSMVQOORLBIQA-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]CC1CCCCCC1)OC ZINC000381391760 367392957 /nfs/dbraw/zinc/39/29/57/367392957.db2.gz NUSMVQOORLBIQA-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000381393257 367392884 /nfs/dbraw/zinc/39/28/84/367392884.db2.gz NYMAMMIIGMOBCU-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000381393258 367392412 /nfs/dbraw/zinc/39/24/12/367392412.db2.gz NYMAMMIIGMOBCU-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000381393259 367393894 /nfs/dbraw/zinc/39/38/94/367393894.db2.gz NYMAMMIIGMOBCU-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000381393260 367393902 /nfs/dbraw/zinc/39/39/02/367393902.db2.gz NYMAMMIIGMOBCU-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C=CCCC2)cc1Cl ZINC000381394252 345795882 /nfs/dbraw/zinc/79/58/82/345795882.db2.gz PBAAGMSXRNDNJG-CYBMUJFWSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C=CCCC2)cc1Cl ZINC000381394259 367393925 /nfs/dbraw/zinc/39/39/25/367393925.db2.gz PBAAGMSXRNDNJG-ZDUSSCGKSA-N 1 0 235.758 3.847 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1ccc(SC)cc1 ZINC000381395104 367394131 /nfs/dbraw/zinc/39/41/31/367394131.db2.gz PJSMXUKQFQFTEH-GFCCVEGCSA-N 1 0 237.412 3.729 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1ccc(SC)cc1 ZINC000381395106 345796829 /nfs/dbraw/zinc/79/68/29/345796829.db2.gz PJSMXUKQFQFTEH-LBPRGKRZSA-N 1 0 237.412 3.729 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC23CCC3)CCCC1 ZINC000381395461 345796882 /nfs/dbraw/zinc/79/68/82/345796882.db2.gz PLSBDYHBPPUVSJ-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC23CCC3)CCCC1 ZINC000381395462 345796826 /nfs/dbraw/zinc/79/68/26/345796826.db2.gz PLSBDYHBPPUVSJ-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000381395733 710631566 /nfs/dbraw/zinc/63/15/66/710631566.db2.gz ABVWIHIEWIEITO-LLVKDONJSA-N 1 0 238.762 3.502 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000381395736 710631866 /nfs/dbraw/zinc/63/18/66/710631866.db2.gz ABVWIHIEWIEITO-NSHDSACASA-N 1 0 238.762 3.502 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000381396157 710631975 /nfs/dbraw/zinc/63/19/75/710631975.db2.gz PQNJMCUSBSOBRE-AVGNSLFASA-N 1 0 222.376 3.880 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000381396163 710632022 /nfs/dbraw/zinc/63/20/22/710632022.db2.gz PQNJMCUSBSOBRE-RWMBFGLXSA-N 1 0 222.376 3.880 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000381396165 710631371 /nfs/dbraw/zinc/63/13/71/710631371.db2.gz PQNJMCUSBSOBRE-XQQFMLRXSA-N 1 0 222.376 3.880 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000381396166 710631696 /nfs/dbraw/zinc/63/16/96/710631696.db2.gz PQNJMCUSBSOBRE-YNEHKIRRSA-N 1 0 222.376 3.880 20 0 BHADRO CC1(C[NH2+][C@@H]2CC3CCC2CC3)CCCC1 ZINC000381396322 710631362 /nfs/dbraw/zinc/63/13/62/710631362.db2.gz AFUDINAHOFVDHN-JXQTWKCFSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CC3CCC2CC3)CCCC1 ZINC000381396323 710632348 /nfs/dbraw/zinc/63/23/48/710632348.db2.gz AFUDINAHOFVDHN-RUXDESIVSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccco1 ZINC000381397062 345799054 /nfs/dbraw/zinc/79/90/54/345799054.db2.gz PXOHPKHFJILBMQ-CHWSQXEVSA-N 1 0 223.360 3.627 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccco1 ZINC000381397063 345799372 /nfs/dbraw/zinc/79/93/72/345799372.db2.gz PXOHPKHFJILBMQ-OLZOCXBDSA-N 1 0 223.360 3.627 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccco1 ZINC000381397064 345799539 /nfs/dbraw/zinc/79/95/39/345799539.db2.gz PXOHPKHFJILBMQ-QWHCGFSZSA-N 1 0 223.360 3.627 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccco1 ZINC000381397065 345798851 /nfs/dbraw/zinc/79/88/51/345798851.db2.gz PXOHPKHFJILBMQ-STQMWFEESA-N 1 0 223.360 3.627 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000381397296 711912076 /nfs/dbraw/zinc/91/20/76/711912076.db2.gz ALLLZUYJCJPGCU-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000381397300 710632092 /nfs/dbraw/zinc/63/20/92/710632092.db2.gz ALLLZUYJCJPGCU-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000381397968 345801094 /nfs/dbraw/zinc/80/10/94/345801094.db2.gz APJYBQANSTYTCJ-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000381397970 345801183 /nfs/dbraw/zinc/80/11/83/345801183.db2.gz APJYBQANSTYTCJ-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000381397973 345801120 /nfs/dbraw/zinc/80/11/20/345801120.db2.gz APJYBQANSTYTCJ-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000381397974 345800630 /nfs/dbraw/zinc/80/06/30/345800630.db2.gz APJYBQANSTYTCJ-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000381398016 345800904 /nfs/dbraw/zinc/80/09/04/345800904.db2.gz QDSXNNVHTPSXFM-JKOKRWQUSA-N 1 0 237.774 3.974 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000381398018 345800953 /nfs/dbraw/zinc/80/09/53/345800953.db2.gz QDSXNNVHTPSXFM-MPKXVKKWSA-N 1 0 237.774 3.974 20 0 BHADRO CCC[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000381398922 487506830 /nfs/dbraw/zinc/50/68/30/487506830.db2.gz QKFRYOFRLYUFQA-CMPYXILNSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000381398927 487506548 /nfs/dbraw/zinc/50/65/48/487506548.db2.gz QKFRYOFRLYUFQA-FZDNWWAKSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000381398930 488196683 /nfs/dbraw/zinc/19/66/83/488196683.db2.gz QKFRYOFRLYUFQA-YBEMTRGBSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000381398931 487506530 /nfs/dbraw/zinc/50/65/30/487506530.db2.gz QKFRYOFRLYUFQA-YPDDLIOESA-N 1 0 217.356 3.868 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000381400089 367393915 /nfs/dbraw/zinc/39/39/15/367393915.db2.gz QUAKGCQFTWZPBB-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCC1 ZINC000381400103 538999975 /nfs/dbraw/zinc/99/99/75/538999975.db2.gz QUDFHTPTRPCPLL-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCC1 ZINC000381400105 538999657 /nfs/dbraw/zinc/99/96/57/538999657.db2.gz QUDFHTPTRPCPLL-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCC1 ZINC000381400111 538999725 /nfs/dbraw/zinc/99/97/25/538999725.db2.gz QUDFHTPTRPCPLL-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCC1 ZINC000381400114 538999867 /nfs/dbraw/zinc/99/98/67/538999867.db2.gz QUDFHTPTRPCPLL-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(SC)cc2)C1 ZINC000381400209 345803521 /nfs/dbraw/zinc/80/35/21/345803521.db2.gz QVRIXVVMYSYZJJ-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000381401255 345804349 /nfs/dbraw/zinc/80/43/49/345804349.db2.gz AJDCMXBUEXYPGS-CHWSQXEVSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000381401259 345804108 /nfs/dbraw/zinc/80/41/08/345804108.db2.gz AJDCMXBUEXYPGS-OLZOCXBDSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000381401261 367395578 /nfs/dbraw/zinc/39/55/78/367395578.db2.gz AJDCMXBUEXYPGS-QWHCGFSZSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000381401262 367395424 /nfs/dbraw/zinc/39/54/24/367395424.db2.gz AJDCMXBUEXYPGS-STQMWFEESA-N 1 0 237.412 3.971 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1cccc(Cl)c1 ZINC000381402135 367394738 /nfs/dbraw/zinc/39/47/38/367394738.db2.gz RIZOURRFAXOIFC-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1ccc(C)cc1 ZINC000381402194 344502713 /nfs/dbraw/zinc/50/27/13/344502713.db2.gz RJJZBOZYNWPXFV-UHFFFAOYSA-N 1 0 219.372 3.563 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cs1 ZINC000381402487 398256005 /nfs/dbraw/zinc/25/60/05/398256005.db2.gz VPWZHQJIXOIBLL-HOSYDEDBSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cs1 ZINC000381402493 398255619 /nfs/dbraw/zinc/25/56/19/398255619.db2.gz VPWZHQJIXOIBLL-JBLDHEPKSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cs1 ZINC000381402494 398255663 /nfs/dbraw/zinc/25/56/63/398255663.db2.gz VPWZHQJIXOIBLL-NHCYSSNCSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cs1 ZINC000381402497 398255752 /nfs/dbraw/zinc/25/57/52/398255752.db2.gz VPWZHQJIXOIBLL-UMNHJUIQSA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000381402924 367395615 /nfs/dbraw/zinc/39/56/15/367395615.db2.gz QCKRRVXRZGKQNN-AJNGGQMLSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+][C@@H](CC)C[C@@H](C)CC)OC ZINC000381402925 367395125 /nfs/dbraw/zinc/39/51/25/367395125.db2.gz QCKRRVXRZGKQNN-LJISPDSOSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+][C@@H](CC)C[C@@H](C)CC)OC ZINC000381402926 367395411 /nfs/dbraw/zinc/39/54/11/367395411.db2.gz QCKRRVXRZGKQNN-XGUBFFRZSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000381402928 367394957 /nfs/dbraw/zinc/39/49/57/367394957.db2.gz QCKRRVXRZGKQNN-ZQDZILKHSA-N 1 0 243.435 3.852 20 0 BHADRO CCC1(C[NH2+]CC2(SC)CC2)CCCCC1 ZINC000381403139 367395658 /nfs/dbraw/zinc/39/56/58/367395658.db2.gz RPEBCZNUNJZHEN-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381403322 367395267 /nfs/dbraw/zinc/39/52/67/367395267.db2.gz RRISDWFNGKPILU-MRVPVSSYSA-N 1 0 247.716 3.896 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381403324 367395278 /nfs/dbraw/zinc/39/52/78/367395278.db2.gz RRISDWFNGKPILU-QMMMGPOBSA-N 1 0 247.716 3.896 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C1CCC(C(C)C)CC1 ZINC000381403830 345805565 /nfs/dbraw/zinc/80/55/65/345805565.db2.gz RUKYOCVCVZTCIN-CLRIEMFWSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]C1CCC(C(C)C)CC1 ZINC000381403831 345805147 /nfs/dbraw/zinc/80/51/47/345805147.db2.gz RUKYOCVCVZTCIN-HOAMVYINSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C1CCC(C(C)C)CC1 ZINC000381403832 345805577 /nfs/dbraw/zinc/80/55/77/345805577.db2.gz RUKYOCVCVZTCIN-NWINJMCUSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]C1CCC(C(C)C)CC1 ZINC000381403836 345805601 /nfs/dbraw/zinc/80/56/01/345805601.db2.gz RUKYOCVCVZTCIN-PQAZSJQKSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000381403844 538999599 /nfs/dbraw/zinc/99/95/99/538999599.db2.gz RVGBYRJJCMIPHK-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000381403846 539000399 /nfs/dbraw/zinc/00/03/99/539000399.db2.gz RVGBYRJJCMIPHK-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000381403848 539000439 /nfs/dbraw/zinc/00/04/39/539000439.db2.gz RVGBYRJJCMIPHK-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000381403850 539000418 /nfs/dbraw/zinc/00/04/18/539000418.db2.gz RVGBYRJJCMIPHK-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CSc2ccccc21)C1CC1 ZINC000381403916 345805405 /nfs/dbraw/zinc/80/54/05/345805405.db2.gz RYERHGUQJNFKRI-CHWSQXEVSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CSc2ccccc21)C1CC1 ZINC000381403917 345805737 /nfs/dbraw/zinc/80/57/37/345805737.db2.gz RYERHGUQJNFKRI-OLZOCXBDSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSc2ccccc21)C1CC1 ZINC000381403920 345805542 /nfs/dbraw/zinc/80/55/42/345805542.db2.gz RYERHGUQJNFKRI-QWHCGFSZSA-N 1 0 233.380 3.612 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSc2ccccc21)C1CC1 ZINC000381403921 345805143 /nfs/dbraw/zinc/80/51/43/345805143.db2.gz RYERHGUQJNFKRI-STQMWFEESA-N 1 0 233.380 3.612 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)CC1CCC1)C(C)(C)C ZINC000381403922 344502903 /nfs/dbraw/zinc/50/29/03/344502903.db2.gz RYFWGUKUSZILJK-AAEUAGOBSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)CC1CCC1)C(C)(C)C ZINC000381403923 344502561 /nfs/dbraw/zinc/50/25/61/344502561.db2.gz RYFWGUKUSZILJK-DGCLKSJQSA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)CC1CCC1)C(C)(C)C ZINC000381403925 344501085 /nfs/dbraw/zinc/50/10/85/344501085.db2.gz RYFWGUKUSZILJK-WCQYABFASA-N 1 0 243.460 3.932 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)CC1CCC1)C(C)(C)C ZINC000381403926 344501658 /nfs/dbraw/zinc/50/16/58/344501658.db2.gz RYFWGUKUSZILJK-YPMHNXCESA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)OC ZINC000381404152 367395224 /nfs/dbraw/zinc/39/52/24/367395224.db2.gz QIKKKMDUFZGLQK-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)OC ZINC000381404153 367395056 /nfs/dbraw/zinc/39/50/56/367395056.db2.gz QIKKKMDUFZGLQK-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)OC ZINC000381404154 367395024 /nfs/dbraw/zinc/39/50/24/367395024.db2.gz QIKKKMDUFZGLQK-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)OC ZINC000381404155 367395405 /nfs/dbraw/zinc/39/54/05/367395405.db2.gz QIKKKMDUFZGLQK-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000381404468 345805152 /nfs/dbraw/zinc/80/51/52/345805152.db2.gz SBSHUCWXHCWCIZ-MQYQWHSLSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000381404470 345805267 /nfs/dbraw/zinc/80/52/67/345805267.db2.gz SBSHUCWXHCWCIZ-RFGFWPKPSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000381404471 345805411 /nfs/dbraw/zinc/80/54/11/345805411.db2.gz SBSHUCWXHCWCIZ-RQJABVFESA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000381404474 345805679 /nfs/dbraw/zinc/80/56/79/345805679.db2.gz SBSHUCWXHCWCIZ-SYQHCUMBSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(Cl)o1 ZINC000381404513 487507014 /nfs/dbraw/zinc/50/70/14/487507014.db2.gz QZBORFXVUVVGTK-CDMKHQONSA-N 1 0 239.746 3.601 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(Cl)o1 ZINC000381404516 487506497 /nfs/dbraw/zinc/50/64/97/487506497.db2.gz QZBORFXVUVVGTK-XWIASGKRSA-N 1 0 239.746 3.601 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1c(F)cccc1SC ZINC000381405040 367395167 /nfs/dbraw/zinc/39/51/67/367395167.db2.gz SFDSBZIRGWIATK-JTQLQIEISA-N 1 0 241.375 3.826 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1c(F)cccc1SC ZINC000381405042 367394810 /nfs/dbraw/zinc/39/48/10/367394810.db2.gz SFDSBZIRGWIATK-SNVBAGLBSA-N 1 0 241.375 3.826 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCSC(C)C)cs1 ZINC000381405247 367395182 /nfs/dbraw/zinc/39/51/82/367395182.db2.gz WJUAXLXWOFLKHU-LLVKDONJSA-N 1 0 243.441 3.849 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCSC(C)C)cs1 ZINC000381405248 367394710 /nfs/dbraw/zinc/39/47/10/367394710.db2.gz WJUAXLXWOFLKHU-NSHDSACASA-N 1 0 243.441 3.849 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381405793 367394763 /nfs/dbraw/zinc/39/47/63/367394763.db2.gz SHVIUJJAQVSUKH-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381405808 367395534 /nfs/dbraw/zinc/39/55/34/367395534.db2.gz SHVIUJJAQVSUKH-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381405814 367394988 /nfs/dbraw/zinc/39/49/88/367394988.db2.gz SHVIUJJAQVSUKH-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381405819 367394865 /nfs/dbraw/zinc/39/48/65/367394865.db2.gz SHVIUJJAQVSUKH-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO CCSCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381406849 367395133 /nfs/dbraw/zinc/39/51/33/367395133.db2.gz WTGGBPNNGNEBFZ-LLVKDONJSA-N 1 0 243.441 3.850 20 0 BHADRO CCSCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381406850 367395373 /nfs/dbraw/zinc/39/53/73/367395373.db2.gz WTGGBPNNGNEBFZ-NSHDSACASA-N 1 0 243.441 3.850 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000381408628 345809040 /nfs/dbraw/zinc/80/90/40/345809040.db2.gz TXUPVMWNXBQIET-GFCCVEGCSA-N 1 0 237.412 3.828 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000381408636 345809432 /nfs/dbraw/zinc/80/94/32/345809432.db2.gz TXUPVMWNXBQIET-LBPRGKRZSA-N 1 0 237.412 3.828 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000381409298 345809360 /nfs/dbraw/zinc/80/93/60/345809360.db2.gz UADPWSWQOSGYSR-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000381409355 345809074 /nfs/dbraw/zinc/80/90/74/345809074.db2.gz UDAAWBSWSZHEKY-REBRKWNGSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000381409356 345809474 /nfs/dbraw/zinc/80/94/74/345809474.db2.gz UDAAWBSWSZHEKY-RZFFKMDDSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000381409357 345810454 /nfs/dbraw/zinc/81/04/54/345810454.db2.gz UDAAWBSWSZHEKY-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000381409358 345809984 /nfs/dbraw/zinc/80/99/84/345809984.db2.gz UDAAWBSWSZHEKY-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C(C2CC2)C2CC2)cs1 ZINC000381409565 367396748 /nfs/dbraw/zinc/39/67/48/367396748.db2.gz XMHVYXSJPKBQGL-JTQLQIEISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cs1 ZINC000381409566 367396929 /nfs/dbraw/zinc/39/69/29/367396929.db2.gz XMHVYXSJPKBQGL-SNVBAGLBSA-N 1 0 235.396 3.896 20 0 BHADRO CSC1(C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000381410618 367396586 /nfs/dbraw/zinc/39/65/86/367396586.db2.gz XRPYTUVZIIYKJE-JTQLQIEISA-N 1 0 241.425 3.603 20 0 BHADRO CSC1(C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000381410620 367396285 /nfs/dbraw/zinc/39/62/85/367396285.db2.gz XRPYTUVZIIYKJE-SNVBAGLBSA-N 1 0 241.425 3.603 20 0 BHADRO CC(C)([NH2+]CC1CCC(C)(C)CC1)C(F)F ZINC000381410624 539000169 /nfs/dbraw/zinc/00/01/69/539000169.db2.gz SPJYRMRIMPQIRE-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCS2)cs1 ZINC000381410695 367396822 /nfs/dbraw/zinc/39/68/22/367396822.db2.gz XSVZGXXVRUKNLN-CMPLNLGQSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCS2)cs1 ZINC000381410697 367396735 /nfs/dbraw/zinc/39/67/35/367396735.db2.gz XSVZGXXVRUKNLN-JQWIXIFHSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cs1 ZINC000381410698 367396696 /nfs/dbraw/zinc/39/66/96/367396696.db2.gz XSVZGXXVRUKNLN-PWSUYJOCSA-N 1 0 241.425 3.603 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCS2)cs1 ZINC000381410699 367396291 /nfs/dbraw/zinc/39/62/91/367396291.db2.gz XSVZGXXVRUKNLN-ZYHUDNBSSA-N 1 0 241.425 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COC(C)C)c1cccs1 ZINC000381410716 367396953 /nfs/dbraw/zinc/39/69/53/367396953.db2.gz UIYGRFSNCWLJMD-NEPJUHHUSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COC(C)C)c1cccs1 ZINC000381410719 367396947 /nfs/dbraw/zinc/39/69/47/367396947.db2.gz UIYGRFSNCWLJMD-NWDGAFQWSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COC(C)C)c1cccs1 ZINC000381410725 345811565 /nfs/dbraw/zinc/81/15/65/345811565.db2.gz UIYGRFSNCWLJMD-RYUDHWBXSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COC(C)C)c1cccs1 ZINC000381410730 367396873 /nfs/dbraw/zinc/39/68/73/367396873.db2.gz UIYGRFSNCWLJMD-VXGBXAGGSA-N 1 0 241.400 3.602 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H](C)C(F)(F)F ZINC000381410737 367396945 /nfs/dbraw/zinc/39/69/45/367396945.db2.gz UJFZJECKNMRICM-JTQLQIEISA-N 1 0 239.325 3.991 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H](C)C(F)(F)F ZINC000381410739 367396912 /nfs/dbraw/zinc/39/69/12/367396912.db2.gz UJFZJECKNMRICM-SNVBAGLBSA-N 1 0 239.325 3.991 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC(F)(F)F)C(C)C)C1CC1 ZINC000381410804 345811829 /nfs/dbraw/zinc/81/18/29/345811829.db2.gz ULMGPXVORMKZMI-GHMZBOCLSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC(F)(F)F)C(C)C)C1CC1 ZINC000381410805 345811950 /nfs/dbraw/zinc/81/19/50/345811950.db2.gz ULMGPXVORMKZMI-MNOVXSKESA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC(F)(F)F)C(C)C)C1CC1 ZINC000381410806 345811575 /nfs/dbraw/zinc/81/15/75/345811575.db2.gz ULMGPXVORMKZMI-QWRGUYRKSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H]([NH2+][C@H](CC(F)(F)F)C(C)C)C1CC1 ZINC000381410808 345811864 /nfs/dbraw/zinc/81/18/64/345811864.db2.gz ULMGPXVORMKZMI-WDEREUQCSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)c1ncc(C[NH2+]C(C)(C)C(C)C)s1 ZINC000381410957 367396892 /nfs/dbraw/zinc/39/68/92/367396892.db2.gz SRKJJZVTFIFVTG-UHFFFAOYSA-N 1 0 240.416 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381411311 345813271 /nfs/dbraw/zinc/81/32/71/345813271.db2.gz UOZUVYXYKPIULV-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381411312 345813203 /nfs/dbraw/zinc/81/32/03/345813203.db2.gz UOZUVYXYKPIULV-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381411313 345813198 /nfs/dbraw/zinc/81/31/98/345813198.db2.gz UOZUVYXYKPIULV-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000381411315 345813279 /nfs/dbraw/zinc/81/32/79/345813279.db2.gz UOZUVYXYKPIULV-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CS[C@H](C[NH2+][C@H](C(C)C)C1CC1)C(C)(C)C ZINC000381411990 345813399 /nfs/dbraw/zinc/81/33/99/345813399.db2.gz UWPKTUNEUFFBOZ-CHWSQXEVSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C(C)C)C1CC1)C(C)(C)C ZINC000381411995 345813293 /nfs/dbraw/zinc/81/32/93/345813293.db2.gz UWPKTUNEUFFBOZ-OLZOCXBDSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C(C)C)C1CC1)C(C)(C)C ZINC000381411998 345813350 /nfs/dbraw/zinc/81/33/50/345813350.db2.gz UWPKTUNEUFFBOZ-QWHCGFSZSA-N 1 0 243.460 3.788 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)C(C)(C)C ZINC000381412000 345813353 /nfs/dbraw/zinc/81/33/53/345813353.db2.gz UWPKTUNEUFFBOZ-STQMWFEESA-N 1 0 243.460 3.788 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)cs1 ZINC000381412744 710633906 /nfs/dbraw/zinc/63/39/06/710633906.db2.gz YHLNNWHTDSUSON-CMPLNLGQSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)cs1 ZINC000381412746 710634374 /nfs/dbraw/zinc/63/43/74/710634374.db2.gz YHLNNWHTDSUSON-JQWIXIFHSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccco2)cs1 ZINC000381412747 710634420 /nfs/dbraw/zinc/63/44/20/710634420.db2.gz YHLNNWHTDSUSON-PWSUYJOCSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)cs1 ZINC000381412749 710634399 /nfs/dbraw/zinc/63/43/99/710634399.db2.gz YHLNNWHTDSUSON-ZYHUDNBSSA-N 1 0 249.379 3.931 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(F)(F)F)cs1 ZINC000381413259 367397713 /nfs/dbraw/zinc/39/77/13/367397713.db2.gz YLSQYIFXVIKFFP-MRVPVSSYSA-N 1 0 237.290 3.660 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(F)(F)F)cs1 ZINC000381413261 367397612 /nfs/dbraw/zinc/39/76/12/367397612.db2.gz YLSQYIFXVIKFFP-QMMMGPOBSA-N 1 0 237.290 3.660 20 0 BHADRO Cc1cc(C[NH2+]Cc2ccoc2C)c(C)s1 ZINC000381414407 539000296 /nfs/dbraw/zinc/00/02/96/539000296.db2.gz VOVVIHXCNJYXBD-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000381415227 345825953 /nfs/dbraw/zinc/82/59/53/345825953.db2.gz UPIBTXPMSDHXDK-AGIUHOORSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000381415235 367397543 /nfs/dbraw/zinc/39/75/43/367397543.db2.gz UPIBTXPMSDHXDK-FRRDWIJNSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000381415236 367398188 /nfs/dbraw/zinc/39/81/88/367398188.db2.gz UPIBTXPMSDHXDK-JHJVBQTASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000381415244 367398386 /nfs/dbraw/zinc/39/83/86/367398386.db2.gz UPIBTXPMSDHXDK-UPJWGTAASA-N 1 0 237.412 3.705 20 0 BHADRO CCC1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000381415306 367398249 /nfs/dbraw/zinc/39/82/49/367398249.db2.gz VVLXQGQLKKVAOU-UHFFFAOYSA-N 1 0 227.367 3.827 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000381416383 367397535 /nfs/dbraw/zinc/39/75/35/367397535.db2.gz WFTZIINBTFUUIP-KBPBESRZSA-N 1 0 243.460 3.931 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000381416387 367398180 /nfs/dbraw/zinc/39/81/80/367398180.db2.gz WFTZIINBTFUUIP-KGLIPLIRSA-N 1 0 243.460 3.931 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000381416394 367398315 /nfs/dbraw/zinc/39/83/15/367398315.db2.gz WFTZIINBTFUUIP-UONOGXRCSA-N 1 0 243.460 3.931 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C(CC(C)C)CC(C)C ZINC000381416396 367397836 /nfs/dbraw/zinc/39/78/36/367397836.db2.gz WFTZIINBTFUUIP-ZIAGYGMSSA-N 1 0 243.460 3.931 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000381417544 345837896 /nfs/dbraw/zinc/83/78/96/345837896.db2.gz WLZKYCITHFZYRS-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000381417545 345837745 /nfs/dbraw/zinc/83/77/45/345837745.db2.gz WLZKYCITHFZYRS-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000381417607 345836593 /nfs/dbraw/zinc/83/65/93/345836593.db2.gz WMWXKOKVBLEOJR-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000381417609 345836509 /nfs/dbraw/zinc/83/65/09/345836509.db2.gz WMWXKOKVBLEOJR-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000381417611 538109756 /nfs/dbraw/zinc/10/97/56/538109756.db2.gz WMWXKOKVBLEOJR-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000381417612 538109775 /nfs/dbraw/zinc/10/97/75/538109775.db2.gz WMWXKOKVBLEOJR-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CC1CC(C)(C)C1 ZINC000381419498 345842539 /nfs/dbraw/zinc/84/25/39/345842539.db2.gz VLVSFYFANIJPEX-LLVKDONJSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CC1CC(C)(C)C1 ZINC000381419506 367399248 /nfs/dbraw/zinc/39/92/48/367399248.db2.gz VLVSFYFANIJPEX-NSHDSACASA-N 1 0 237.412 3.705 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000381419603 710634410 /nfs/dbraw/zinc/63/44/10/710634410.db2.gz WXLFUWFKHINVEJ-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000381419604 710634559 /nfs/dbraw/zinc/63/45/59/710634559.db2.gz WXLFUWFKHINVEJ-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000381421054 367399653 /nfs/dbraw/zinc/39/96/53/367399653.db2.gz VVMTZZZRRYFLNB-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000381421058 367399778 /nfs/dbraw/zinc/39/97/78/367399778.db2.gz VVMTZZZRRYFLNB-OUCADQQQSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000381421059 367398997 /nfs/dbraw/zinc/39/89/97/367398997.db2.gz VVMTZZZRRYFLNB-SCRDCRAPSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000381421061 367399796 /nfs/dbraw/zinc/39/97/96/367399796.db2.gz VVMTZZZRRYFLNB-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)OC ZINC000381421394 345845561 /nfs/dbraw/zinc/84/55/61/345845561.db2.gz UHCGNGDSJZTHDP-APIJFGDWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)OC ZINC000381421395 345845397 /nfs/dbraw/zinc/84/53/97/345845397.db2.gz UHCGNGDSJZTHDP-KBXIAJHMSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)OC ZINC000381421396 345845581 /nfs/dbraw/zinc/84/55/81/345845581.db2.gz UHCGNGDSJZTHDP-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)OC ZINC000381421397 345845750 /nfs/dbraw/zinc/84/57/50/345845750.db2.gz UHCGNGDSJZTHDP-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000381422277 345846262 /nfs/dbraw/zinc/84/62/62/345846262.db2.gz XOWXLVLDKJWWTP-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000381422278 345846575 /nfs/dbraw/zinc/84/65/75/345846575.db2.gz XOWXLVLDKJWWTP-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000381422279 345846276 /nfs/dbraw/zinc/84/62/76/345846276.db2.gz XOWXLVLDKJWWTP-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000381422280 345846353 /nfs/dbraw/zinc/84/63/53/345846353.db2.gz XOWXLVLDKJWWTP-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)C1CCCCC1)OC ZINC000381422634 367400452 /nfs/dbraw/zinc/40/04/52/367400452.db2.gz UKPAJUUHGYXGJY-GUTXKFCHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)C1CCCCC1)OC ZINC000381422635 367400280 /nfs/dbraw/zinc/40/02/80/367400280.db2.gz UKPAJUUHGYXGJY-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)C1CCCCC1)OC ZINC000381422636 367400161 /nfs/dbraw/zinc/40/01/61/367400161.db2.gz UKPAJUUHGYXGJY-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)C1CCCCC1)OC ZINC000381422637 367400368 /nfs/dbraw/zinc/40/03/68/367400368.db2.gz UKPAJUUHGYXGJY-YDHLFZDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000381423457 367400938 /nfs/dbraw/zinc/40/09/38/367400938.db2.gz XZHBTRLPOUXTPV-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCCC(F)(F)F ZINC000381423458 367400894 /nfs/dbraw/zinc/40/08/94/367400894.db2.gz XZHBTRLPOUXTPV-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000381423460 367400881 /nfs/dbraw/zinc/40/08/81/367400881.db2.gz XZHBTRLPOUXTPV-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCCC(F)(F)F ZINC000381423461 357031363 /nfs/dbraw/zinc/03/13/63/357031363.db2.gz XZHBTRLPOUXTPV-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](F)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381425892 357050267 /nfs/dbraw/zinc/05/02/67/357050267.db2.gz YSHHNUBFPYFHJS-GFCCVEGCSA-N 1 0 241.737 3.667 20 0 BHADRO CC[C@H](F)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381425893 367400012 /nfs/dbraw/zinc/40/00/12/367400012.db2.gz YSHHNUBFPYFHJS-LBPRGKRZSA-N 1 0 241.737 3.667 20 0 BHADRO CSC1(C[NH2+]CCCC2CCCCC2)CC1 ZINC000381426721 345854372 /nfs/dbraw/zinc/85/43/72/345854372.db2.gz ZAEGPYLUISMPMV-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)CCC1CC1 ZINC000381427280 345856005 /nfs/dbraw/zinc/85/60/05/345856005.db2.gz ZGIHBIMSOMIOQD-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)CCC1CC1 ZINC000381427281 345856235 /nfs/dbraw/zinc/85/62/35/345856235.db2.gz ZGIHBIMSOMIOQD-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)CCC1CC1 ZINC000381427282 345855963 /nfs/dbraw/zinc/85/59/63/345855963.db2.gz ZGIHBIMSOMIOQD-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CCC1CC1 ZINC000381427284 345856302 /nfs/dbraw/zinc/85/63/02/345856302.db2.gz ZGIHBIMSOMIOQD-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CCCC(CCC)[NH2+]CCc1ccc(C)o1 ZINC000381427323 357067427 /nfs/dbraw/zinc/06/74/27/357067427.db2.gz ZHOYTCGIKCYBKF-UHFFFAOYSA-N 1 0 223.360 3.689 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CC(F)(F)C1 ZINC000381427828 367400817 /nfs/dbraw/zinc/40/08/17/367400817.db2.gz ZLRNTWSLTHHAQW-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000381427829 367400051 /nfs/dbraw/zinc/40/00/51/367400051.db2.gz ZLRNTWSLTHHAQW-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000381427830 367400798 /nfs/dbraw/zinc/40/07/98/367400798.db2.gz ZLRNTWSLTHHAQW-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000381427831 367400396 /nfs/dbraw/zinc/40/03/96/367400396.db2.gz ZLRNTWSLTHHAQW-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO COc1ccsc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000381428485 710634969 /nfs/dbraw/zinc/63/49/69/710634969.db2.gz ZRJKEKMWCVJYTA-JTQLQIEISA-N 1 0 241.400 3.529 20 0 BHADRO COc1ccsc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000381428486 710635352 /nfs/dbraw/zinc/63/53/52/710635352.db2.gz ZRJKEKMWCVJYTA-SNVBAGLBSA-N 1 0 241.400 3.529 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C12CCC(CC1)C2 ZINC000381429493 710635524 /nfs/dbraw/zinc/63/55/24/710635524.db2.gz BDGMAZQIAGCQAA-FEWQNLEASA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C12CCC(CC1)C2 ZINC000381429494 710635273 /nfs/dbraw/zinc/63/52/73/710635273.db2.gz BDGMAZQIAGCQAA-FGZQJIAISA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C12CCC(CC1)C2 ZINC000381429497 710634859 /nfs/dbraw/zinc/63/48/59/710634859.db2.gz BDGMAZQIAGCQAA-JLVJUDLZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C12CCC(CC1)C2 ZINC000381429500 710635258 /nfs/dbraw/zinc/63/52/58/710635258.db2.gz BDGMAZQIAGCQAA-LQULJDIASA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)CCC(F)(F)F ZINC000381430251 357091444 /nfs/dbraw/zinc/09/14/44/357091444.db2.gz WNMXOTOIUXAVNV-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000381430252 345866463 /nfs/dbraw/zinc/86/64/63/345866463.db2.gz WNMXOTOIUXAVNV-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)CCC1CC1 ZINC000381430254 357090955 /nfs/dbraw/zinc/09/09/55/357090955.db2.gz WNMXOTOIUXAVNV-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000381430255 345866181 /nfs/dbraw/zinc/86/61/81/345866181.db2.gz WNMXOTOIUXAVNV-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC12CCC2 ZINC000381430341 345867393 /nfs/dbraw/zinc/86/73/93/345867393.db2.gz BJBPSWJKNDMBDZ-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC12CCC2 ZINC000381430429 367401630 /nfs/dbraw/zinc/40/16/30/367401630.db2.gz BJBPSWJKNDMBDZ-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC12CCC2 ZINC000381430435 367401944 /nfs/dbraw/zinc/40/19/44/367401944.db2.gz BJBPSWJKNDMBDZ-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC12CCC2 ZINC000381430477 367402322 /nfs/dbraw/zinc/40/23/22/367402322.db2.gz BJBPSWJKNDMBDZ-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO CCCCCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000381431149 710636627 /nfs/dbraw/zinc/63/66/27/710636627.db2.gz BNQCUKPKDLZPCR-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000381431151 710636077 /nfs/dbraw/zinc/63/60/77/710636077.db2.gz BNQCUKPKDLZPCR-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000381431917 367403107 /nfs/dbraw/zinc/40/31/07/367403107.db2.gz BRJNDRRWHLRXIW-CHWSQXEVSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000381431918 367403289 /nfs/dbraw/zinc/40/32/89/367403289.db2.gz BRJNDRRWHLRXIW-OLZOCXBDSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000381431919 367402846 /nfs/dbraw/zinc/40/28/46/367402846.db2.gz BRJNDRRWHLRXIW-QWHCGFSZSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000381431920 367402924 /nfs/dbraw/zinc/40/29/24/367402924.db2.gz BRJNDRRWHLRXIW-STQMWFEESA-N 1 0 235.396 3.768 20 0 BHADRO CCCc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000381432157 344505546 /nfs/dbraw/zinc/50/55/46/344505546.db2.gz BTXPSLRLVMZPBR-UHFFFAOYSA-N 1 0 219.372 3.917 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000381435839 710636417 /nfs/dbraw/zinc/63/64/17/710636417.db2.gz CPQAMAMWCCBWNS-LLVKDONJSA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000381435840 710636696 /nfs/dbraw/zinc/63/66/96/710636696.db2.gz CPQAMAMWCCBWNS-NSHDSACASA-N 1 0 238.762 3.742 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cc2c(s1)CCC2 ZINC000381436558 367402879 /nfs/dbraw/zinc/40/28/79/367402879.db2.gz CXAJITMQOJFQFR-NOZJJQNGSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc2c(s1)CCC2 ZINC000381436564 367403600 /nfs/dbraw/zinc/40/36/00/367403600.db2.gz CXAJITMQOJFQFR-RNCFNFMXSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cc2c(s1)CCC2 ZINC000381436913 367403001 /nfs/dbraw/zinc/40/30/01/367403001.db2.gz CXAJITMQOJFQFR-TVQRCGJNSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc2c(s1)CCC2 ZINC000381436914 367403163 /nfs/dbraw/zinc/40/31/63/367403163.db2.gz CXAJITMQOJFQFR-ZANVPECISA-N 1 0 235.396 3.686 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381436932 710636243 /nfs/dbraw/zinc/63/62/43/710636243.db2.gz CXHJRPJMUUMWEN-GHMZBOCLSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381436933 710636181 /nfs/dbraw/zinc/63/61/81/710636181.db2.gz CXHJRPJMUUMWEN-MNOVXSKESA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381436934 710636241 /nfs/dbraw/zinc/63/62/41/710636241.db2.gz CXHJRPJMUUMWEN-QWRGUYRKSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000381436935 710636719 /nfs/dbraw/zinc/63/67/19/710636719.db2.gz CXHJRPJMUUMWEN-WDEREUQCSA-N 1 0 240.778 3.568 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)CCC1CC1 ZINC000381436944 345891443 /nfs/dbraw/zinc/89/14/43/345891443.db2.gz CYCLVYFPYQBVCO-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)CCC1CC1 ZINC000381436945 345891634 /nfs/dbraw/zinc/89/16/34/345891634.db2.gz CYCLVYFPYQBVCO-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000381437863 539000758 /nfs/dbraw/zinc/00/07/58/539000758.db2.gz DCWMPEOWMNNQGL-SECBINFHSA-N 1 0 239.325 3.847 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C(F)(F)F)C(C)(C)C ZINC000381437876 539000615 /nfs/dbraw/zinc/00/06/15/539000615.db2.gz DCWMPEOWMNNQGL-VIFPVBQESA-N 1 0 239.325 3.847 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)OC ZINC000381437965 367402800 /nfs/dbraw/zinc/40/28/00/367402800.db2.gz XQBIVPRBHFRBFB-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCCC1(C)C)OC ZINC000381437967 367402886 /nfs/dbraw/zinc/40/28/86/367402886.db2.gz XQBIVPRBHFRBFB-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCCC1(C)C)OC ZINC000381437971 367402946 /nfs/dbraw/zinc/40/29/46/367402946.db2.gz XQBIVPRBHFRBFB-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCCCC1(C)C)OC ZINC000381437972 367403228 /nfs/dbraw/zinc/40/32/28/367403228.db2.gz XQBIVPRBHFRBFB-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCc1cccs1 ZINC000381438060 345897057 /nfs/dbraw/zinc/89/70/57/345897057.db2.gz DGCZTFIIGZWWNQ-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCc1cccs1 ZINC000381438065 345897068 /nfs/dbraw/zinc/89/70/68/345897068.db2.gz DGCZTFIIGZWWNQ-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000381438215 345898316 /nfs/dbraw/zinc/89/83/16/345898316.db2.gz YKRAWBMRLRIDSO-MQYQWHSLSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000381438216 345898321 /nfs/dbraw/zinc/89/83/21/345898321.db2.gz YKRAWBMRLRIDSO-RFGFWPKPSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000381438217 345898323 /nfs/dbraw/zinc/89/83/23/345898323.db2.gz YKRAWBMRLRIDSO-YIYPIFLZSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000381438218 345898224 /nfs/dbraw/zinc/89/82/24/345898224.db2.gz YKRAWBMRLRIDSO-ZOBORPQBSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]C1CCCCCCC1)OC ZINC000381439741 710636472 /nfs/dbraw/zinc/63/64/72/710636472.db2.gz YCCGZOQALGZOPG-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]C1CCCCCCC1)OC ZINC000381439743 710636124 /nfs/dbraw/zinc/63/61/24/710636124.db2.gz YCCGZOQALGZOPG-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]C1CCCCCCC1)OC ZINC000381439744 710636833 /nfs/dbraw/zinc/63/68/33/710636833.db2.gz YCCGZOQALGZOPG-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]C1CCCCCCC1)OC ZINC000381439746 710636055 /nfs/dbraw/zinc/63/60/55/710636055.db2.gz YCCGZOQALGZOPG-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000381440780 345907600 /nfs/dbraw/zinc/90/76/00/345907600.db2.gz DXSPLNBUSUVFKO-DBIOUOCHSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000381440781 345908036 /nfs/dbraw/zinc/90/80/36/345908036.db2.gz DXSPLNBUSUVFKO-RCWTZXSCSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000381440782 345907548 /nfs/dbraw/zinc/90/75/48/345907548.db2.gz DXSPLNBUSUVFKO-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000381440783 345907941 /nfs/dbraw/zinc/90/79/41/345907941.db2.gz DXSPLNBUSUVFKO-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO CC1(C)CC(C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000381440871 345910183 /nfs/dbraw/zinc/91/01/83/345910183.db2.gz FAILRLRZFUBBPW-UHFFFAOYSA-N 1 0 221.388 3.735 20 0 BHADRO Cc1cc(C[NH2+]Cc2cc(C)cc(C)c2)cs1 ZINC000381442749 398257834 /nfs/dbraw/zinc/25/78/34/398257834.db2.gz YTMZOWHWMMIYEX-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381443698 710637171 /nfs/dbraw/zinc/63/71/71/710637171.db2.gz FJVQPQCWIBNHJT-HSOILSAZSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381443700 710637582 /nfs/dbraw/zinc/63/75/82/710637582.db2.gz FJVQPQCWIBNHJT-YVNMAJEFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@]1([NH2+]C/C=C/Cl)CCCc2ccccc21 ZINC000381444657 712395863 /nfs/dbraw/zinc/39/58/63/712395863.db2.gz FLWWZQFJAUGYIK-AZWQULSGSA-N 1 0 235.758 3.580 20 0 BHADRO C[C@]1([NH2+]C/C=C\Cl)CCCc2ccccc21 ZINC000381444658 710637700 /nfs/dbraw/zinc/63/77/00/710637700.db2.gz FLWWZQFJAUGYIK-MFNCVGGLSA-N 1 0 235.758 3.580 20 0 BHADRO C[C@]1([NH2+]C/C=C/Cl)CCCc2ccccc21 ZINC000381444659 710637684 /nfs/dbraw/zinc/63/76/84/710637684.db2.gz FLWWZQFJAUGYIK-SEIPJRMCSA-N 1 0 235.758 3.580 20 0 BHADRO C[C@@]1([NH2+]C/C=C\Cl)CCCc2ccccc21 ZINC000381444660 710637645 /nfs/dbraw/zinc/63/76/45/710637645.db2.gz FLWWZQFJAUGYIK-XTXQVDMPSA-N 1 0 235.758 3.580 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000381445866 345917678 /nfs/dbraw/zinc/91/76/78/345917678.db2.gz FSLWBEJBBBHRLH-CHWSQXEVSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000381445874 345917861 /nfs/dbraw/zinc/91/78/61/345917861.db2.gz FSLWBEJBBBHRLH-OLZOCXBDSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000381445879 538110354 /nfs/dbraw/zinc/11/03/54/538110354.db2.gz FSLWBEJBBBHRLH-QWHCGFSZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000381445881 538110403 /nfs/dbraw/zinc/11/04/03/538110403.db2.gz FSLWBEJBBBHRLH-STQMWFEESA-N 1 0 229.383 3.931 20 0 BHADRO CCCc1csc(C[NH2+]C(C)(CC)CC)n1 ZINC000381445908 357173839 /nfs/dbraw/zinc/17/38/39/357173839.db2.gz FUDSYYDFEWTOGP-UHFFFAOYSA-N 1 0 240.416 3.764 20 0 BHADRO CC(C)(C[NH2+]CC1(F)CC1)C1CCCCC1 ZINC000381446906 345919885 /nfs/dbraw/zinc/91/98/85/345919885.db2.gz FWXZDSAUHALYLZ-UHFFFAOYSA-N 1 0 227.367 3.685 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@H](C)F)c1C ZINC000381447910 367406486 /nfs/dbraw/zinc/40/64/86/367406486.db2.gz GKRLDMATFJNYIY-AAEUAGOBSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)F)c1C ZINC000381447912 367406632 /nfs/dbraw/zinc/40/66/32/367406632.db2.gz GKRLDMATFJNYIY-DGCLKSJQSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@H](C)F)c1C ZINC000381447922 367406009 /nfs/dbraw/zinc/40/60/09/367406009.db2.gz GKRLDMATFJNYIY-WCQYABFASA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@@H](C)F)c1C ZINC000381447923 367406564 /nfs/dbraw/zinc/40/65/64/367406564.db2.gz GKRLDMATFJNYIY-YPMHNXCESA-N 1 0 223.335 3.702 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)CS1 ZINC000381448452 367406359 /nfs/dbraw/zinc/40/63/59/367406359.db2.gz GGGDJLMMAOHMCF-AGIUHOORSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)CS1 ZINC000381448454 367405858 /nfs/dbraw/zinc/40/58/58/367405858.db2.gz GGGDJLMMAOHMCF-AVGNSLFASA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)CS1 ZINC000381448455 367406298 /nfs/dbraw/zinc/40/62/98/367406298.db2.gz GGGDJLMMAOHMCF-FRRDWIJNSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)CS1 ZINC000381448458 367406517 /nfs/dbraw/zinc/40/65/17/367406517.db2.gz GGGDJLMMAOHMCF-RWMBFGLXSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000381449148 539000852 /nfs/dbraw/zinc/00/08/52/539000852.db2.gz GLFHFBVJYODLPI-BPLDGKMQSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000381449150 539000788 /nfs/dbraw/zinc/00/07/88/539000788.db2.gz GLFHFBVJYODLPI-SNPRPXQTSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000381449153 539000544 /nfs/dbraw/zinc/00/05/44/539000544.db2.gz GLFHFBVJYODLPI-VHDGCEQUSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000381449158 539000481 /nfs/dbraw/zinc/00/04/81/539000481.db2.gz GLFHFBVJYODLPI-YUELXQCFSA-N 1 0 217.356 3.772 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000381453106 367408113 /nfs/dbraw/zinc/40/81/13/367408113.db2.gz IEWLZDKKNYULKP-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000381453107 367407823 /nfs/dbraw/zinc/40/78/23/367407823.db2.gz IEWLZDKKNYULKP-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)C([NH2+]CCCc1ccsc1)C(C)C ZINC000381453731 539001124 /nfs/dbraw/zinc/00/11/24/539001124.db2.gz HOCBHZQLAUNSFH-UHFFFAOYSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)(C)CCCC[NH2+]C1CC(C(F)F)C1 ZINC000381455712 710638682 /nfs/dbraw/zinc/63/86/82/710638682.db2.gz IHGBCCJBAMBIGI-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000381456077 344507301 /nfs/dbraw/zinc/50/73/01/344507301.db2.gz JKYOBSIHIJIDQZ-LLVKDONJSA-N 1 0 223.335 3.565 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)C)c1ccc(F)cc1 ZINC000381456089 344507440 /nfs/dbraw/zinc/50/74/40/344507440.db2.gz JKYOBSIHIJIDQZ-NSHDSACASA-N 1 0 223.335 3.565 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000381456368 345938259 /nfs/dbraw/zinc/93/82/59/345938259.db2.gz INHQBUNCRPNRQZ-HNNXBMFYSA-N 1 0 215.340 3.583 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000381456369 345938047 /nfs/dbraw/zinc/93/80/47/345938047.db2.gz INHQBUNCRPNRQZ-OAHLLOKOSA-N 1 0 215.340 3.583 20 0 BHADRO CC(C)(C)SCC[NH2+]C1CCC2(CC2)CC1 ZINC000381456972 710638600 /nfs/dbraw/zinc/63/86/00/710638600.db2.gz ISNWDFSYRJZUKE-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000381458154 367409734 /nfs/dbraw/zinc/40/97/34/367409734.db2.gz IZFWVKGNEMGQNV-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000381458162 367409079 /nfs/dbraw/zinc/40/90/79/367409079.db2.gz IZFWVKGNEMGQNV-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458316 398253567 /nfs/dbraw/zinc/25/35/67/398253567.db2.gz JAHXRETVHVBTBH-BAABZTOOSA-N 1 0 235.758 3.957 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458320 398258103 /nfs/dbraw/zinc/25/81/03/398258103.db2.gz JAHXRETVHVBTBH-HSWBROFVSA-N 1 0 235.758 3.957 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458322 398258158 /nfs/dbraw/zinc/25/81/58/398258158.db2.gz JAHXRETVHVBTBH-PYLYLYNFSA-N 1 0 235.758 3.957 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458326 398258287 /nfs/dbraw/zinc/25/82/87/398258287.db2.gz JAHXRETVHVBTBH-SFAKSCPVSA-N 1 0 235.758 3.957 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)CC(F)(F)F ZINC000381459000 367409164 /nfs/dbraw/zinc/40/91/64/367409164.db2.gz KJSWAPODJCCVBL-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)CC(F)(F)F ZINC000381459003 367409130 /nfs/dbraw/zinc/40/91/30/367409130.db2.gz KJSWAPODJCCVBL-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC1CCCC1 ZINC000381459005 345943012 /nfs/dbraw/zinc/94/30/12/345943012.db2.gz KJSWAPODJCCVBL-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)CC(F)(F)F ZINC000381459012 367409070 /nfs/dbraw/zinc/40/90/70/367409070.db2.gz KJSWAPODJCCVBL-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC(C)(C)C(F)(F)F ZINC000381459232 367408692 /nfs/dbraw/zinc/40/86/92/367408692.db2.gz JFLRFVHNLJNPDV-JTQLQIEISA-N 1 0 239.325 3.847 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC(C)(C)C(F)(F)F ZINC000381459234 345942721 /nfs/dbraw/zinc/94/27/21/345942721.db2.gz JFLRFVHNLJNPDV-SNVBAGLBSA-N 1 0 239.325 3.847 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381459791 345944150 /nfs/dbraw/zinc/94/41/50/345944150.db2.gz KQJSYAMOJONDKO-CYBMUJFWSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000381459795 367409749 /nfs/dbraw/zinc/40/97/49/367409749.db2.gz KQJSYAMOJONDKO-ZDUSSCGKSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000381460594 345946670 /nfs/dbraw/zinc/94/66/70/345946670.db2.gz JOAMEMVNYHDBJT-CHWSQXEVSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000381460600 345946376 /nfs/dbraw/zinc/94/63/76/345946376.db2.gz JOAMEMVNYHDBJT-OLZOCXBDSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000381460601 345946309 /nfs/dbraw/zinc/94/63/09/345946309.db2.gz JOAMEMVNYHDBJT-QWHCGFSZSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000381460602 345946584 /nfs/dbraw/zinc/94/65/84/345946584.db2.gz JOAMEMVNYHDBJT-STQMWFEESA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C1CC(F)(F)C1 ZINC000381460930 345946066 /nfs/dbraw/zinc/94/60/66/345946066.db2.gz JQOZNAKWCSLDAP-UHFFFAOYSA-N 1 0 233.346 3.835 20 0 BHADRO CC1(C)CCC(C[NH2+]C2CC(F)(F)C2)CC1 ZINC000381462302 345949728 /nfs/dbraw/zinc/94/97/28/345949728.db2.gz LKIJTHOJVSCEFX-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000381462485 345949074 /nfs/dbraw/zinc/94/90/74/345949074.db2.gz LNFUCFAVBIIHGH-BDAKNGLRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)c(Cl)c1 ZINC000381462488 345954105 /nfs/dbraw/zinc/95/41/05/345954105.db2.gz LNFUCFAVBIIHGH-DTWKUNHWSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000381462490 345953789 /nfs/dbraw/zinc/95/37/89/345953789.db2.gz LNFUCFAVBIIHGH-IUCAKERBSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000381462491 345953717 /nfs/dbraw/zinc/95/37/17/345953717.db2.gz LNFUCFAVBIIHGH-RKDXNWHRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)C)Cc1cccs1 ZINC000381462894 367410758 /nfs/dbraw/zinc/41/07/58/367410758.db2.gz LOYDVJWYIHZPEN-GFCCVEGCSA-N 1 0 239.428 3.953 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)C)Cc1cccs1 ZINC000381462895 367410998 /nfs/dbraw/zinc/41/09/98/367410998.db2.gz LOYDVJWYIHZPEN-LBPRGKRZSA-N 1 0 239.428 3.953 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1 ZINC000381462959 710640221 /nfs/dbraw/zinc/64/02/21/710640221.db2.gz KFRYVTAWHDWKBS-SYAFZNNESA-N 1 0 241.737 3.865 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1 ZINC000381462961 710640349 /nfs/dbraw/zinc/64/03/49/710640349.db2.gz KFRYVTAWHDWKBS-UJYKQDJBSA-N 1 0 241.737 3.865 20 0 BHADRO CC(C)[C@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1 ZINC000381462962 710640303 /nfs/dbraw/zinc/64/03/03/710640303.db2.gz KFRYVTAWHDWKBS-UTPRNQHHSA-N 1 0 241.737 3.865 20 0 BHADRO CC(C)[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1 ZINC000381462963 710639615 /nfs/dbraw/zinc/63/96/15/710639615.db2.gz KFRYVTAWHDWKBS-ZHAHRWAOSA-N 1 0 241.737 3.865 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccnc(Cl)c1 ZINC000381463676 710640198 /nfs/dbraw/zinc/64/01/98/710640198.db2.gz LXACMQPKUZPPSL-GXSJLCMTSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccnc(Cl)c1 ZINC000381463677 710639996 /nfs/dbraw/zinc/63/99/96/710639996.db2.gz LXACMQPKUZPPSL-KOLCDFICSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccnc(Cl)c1 ZINC000381463678 710639648 /nfs/dbraw/zinc/63/96/48/710639648.db2.gz LXACMQPKUZPPSL-MWLCHTKSSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccnc(Cl)c1 ZINC000381463679 710639835 /nfs/dbraw/zinc/63/98/35/710639835.db2.gz LXACMQPKUZPPSL-ONGXEEELSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000381464035 367410799 /nfs/dbraw/zinc/41/07/99/367410799.db2.gz KROPSPSPJSGCIT-MQYQWHSLSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000381464039 367410986 /nfs/dbraw/zinc/41/09/86/367410986.db2.gz KROPSPSPJSGCIT-RFGFWPKPSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000381464046 345965703 /nfs/dbraw/zinc/96/57/03/345965703.db2.gz KROPSPSPJSGCIT-YIYPIFLZSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000381464047 345965716 /nfs/dbraw/zinc/96/57/16/345965716.db2.gz KROPSPSPJSGCIT-ZOBORPQBSA-N 1 0 227.367 3.683 20 0 BHADRO C([NH2+][C@H]1CCC12CCCC2)C1CCCCC1 ZINC000381464769 345968957 /nfs/dbraw/zinc/96/89/57/345968957.db2.gz KWELLZXUETZLIJ-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C([NH2+][C@@H]1CCC12CCCC2)C1CCCCC1 ZINC000381464774 345968620 /nfs/dbraw/zinc/96/86/20/345968620.db2.gz KWELLZXUETZLIJ-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CC1([NH2+]Cc2ccc(C(F)(F)F)s2)CCC1 ZINC000381464797 344509445 /nfs/dbraw/zinc/50/94/45/344509445.db2.gz KWVSEYQLXDVHDW-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1CC2(CCC2)C1 ZINC000381465212 367410921 /nfs/dbraw/zinc/41/09/21/367410921.db2.gz MHQRUBCSACZVLY-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1CC2(CCC2)C1 ZINC000381465213 367410534 /nfs/dbraw/zinc/41/05/34/367410534.db2.gz MHQRUBCSACZVLY-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000381466266 367410484 /nfs/dbraw/zinc/41/04/84/367410484.db2.gz MPQWHYBVENTEPJ-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000381466267 367410591 /nfs/dbraw/zinc/41/05/91/367410591.db2.gz MPQWHYBVENTEPJ-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCCC[C@@H]2C)s1 ZINC000381467007 539001094 /nfs/dbraw/zinc/00/10/94/539001094.db2.gz LJJPTDJGXNTZAJ-CMPLNLGQSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCCC[C@@H]2C)s1 ZINC000381467009 539001020 /nfs/dbraw/zinc/00/10/20/539001020.db2.gz LJJPTDJGXNTZAJ-JQWIXIFHSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@H]2CCCCC[C@H]2C)s1 ZINC000381467010 539001288 /nfs/dbraw/zinc/00/12/88/539001288.db2.gz LJJPTDJGXNTZAJ-PWSUYJOCSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cnc(C[NH2+][C@@H]2CCCCC[C@H]2C)s1 ZINC000381467011 539001062 /nfs/dbraw/zinc/00/10/62/539001062.db2.gz LJJPTDJGXNTZAJ-ZYHUDNBSSA-N 1 0 238.400 3.510 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000381467044 345980425 /nfs/dbraw/zinc/98/04/25/345980425.db2.gz LKFHGGRODHGGMU-KBPBESRZSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000381467045 345980236 /nfs/dbraw/zinc/98/02/36/345980236.db2.gz LKFHGGRODHGGMU-KGLIPLIRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000381467046 345980619 /nfs/dbraw/zinc/98/06/19/345980619.db2.gz LKFHGGRODHGGMU-UONOGXRCSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000381467047 345980438 /nfs/dbraw/zinc/98/04/38/345980438.db2.gz LKFHGGRODHGGMU-ZIAGYGMSSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000381467531 367410784 /nfs/dbraw/zinc/41/07/84/367410784.db2.gz LOLLRYGDDBISFR-UHFFFAOYSA-N 1 0 217.356 3.702 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000381467895 539001336 /nfs/dbraw/zinc/00/13/36/539001336.db2.gz LRQGLZICHBSXFH-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000381467901 539001363 /nfs/dbraw/zinc/00/13/63/539001363.db2.gz LRQGLZICHBSXFH-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCC1(F)F ZINC000381468889 539001791 /nfs/dbraw/zinc/00/17/91/539001791.db2.gz NMYQKFBXWNRORE-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC1(F)F ZINC000381468890 539001683 /nfs/dbraw/zinc/00/16/83/539001683.db2.gz NMYQKFBXWNRORE-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC1(F)F ZINC000381468891 539001811 /nfs/dbraw/zinc/00/18/11/539001811.db2.gz NMYQKFBXWNRORE-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCC1(F)F ZINC000381468892 539001513 /nfs/dbraw/zinc/00/15/13/539001513.db2.gz NMYQKFBXWNRORE-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381469396 367414063 /nfs/dbraw/zinc/41/40/63/367414063.db2.gz MCXQZGFECSRZIU-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000381469406 367413910 /nfs/dbraw/zinc/41/39/10/367413910.db2.gz MCXQZGFECSRZIU-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381469408 367413664 /nfs/dbraw/zinc/41/36/64/367413664.db2.gz MCXQZGFECSRZIU-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000381469409 367414074 /nfs/dbraw/zinc/41/40/74/367414074.db2.gz MCXQZGFECSRZIU-RDBSUJKOSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@H](C)F ZINC000381469635 345994243 /nfs/dbraw/zinc/99/42/43/345994243.db2.gz MECARDJJHVGCMB-XJFOESAGSA-N 1 0 229.383 3.785 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000381469708 367413756 /nfs/dbraw/zinc/41/37/56/367413756.db2.gz NVIQXJTZJAIOGP-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000381469709 367413636 /nfs/dbraw/zinc/41/36/36/367413636.db2.gz NVIQXJTZJAIOGP-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000381469710 367413589 /nfs/dbraw/zinc/41/35/89/367413589.db2.gz NVIQXJTZJAIOGP-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000381469711 367413769 /nfs/dbraw/zinc/41/37/69/367413769.db2.gz NVIQXJTZJAIOGP-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](C)C(F)(F)F ZINC000381470144 345997765 /nfs/dbraw/zinc/99/77/65/345997765.db2.gz OBFSJTCKAJTRCS-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H](C)C(F)(F)F ZINC000381470145 345997913 /nfs/dbraw/zinc/99/79/13/345997913.db2.gz OBFSJTCKAJTRCS-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H](C)C(F)(F)F ZINC000381470146 345997769 /nfs/dbraw/zinc/99/77/69/345997769.db2.gz OBFSJTCKAJTRCS-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC1CCCC1)C(F)(F)F ZINC000381470148 345997864 /nfs/dbraw/zinc/99/78/64/345997864.db2.gz OBFSJTCKAJTRCS-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CCCc1ccc(C[NH2+]C2CC(C)C2)cc1 ZINC000381470852 539001654 /nfs/dbraw/zinc/00/16/54/539001654.db2.gz OJOLCSFWGRUFEA-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000381470921 345999068 /nfs/dbraw/zinc/99/90/68/345999068.db2.gz OLMZJUNDURDGQY-AAEUAGOBSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000381470922 345998926 /nfs/dbraw/zinc/99/89/26/345998926.db2.gz OLMZJUNDURDGQY-DGCLKSJQSA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000381470923 345998865 /nfs/dbraw/zinc/99/88/65/345998865.db2.gz OLMZJUNDURDGQY-WCQYABFASA-N 1 0 235.396 3.540 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000381470924 345999107 /nfs/dbraw/zinc/99/91/07/345999107.db2.gz OLMZJUNDURDGQY-YPMHNXCESA-N 1 0 235.396 3.540 20 0 BHADRO C[C@H]([NH2+]C(C)(C)C(F)F)C1CCCCCC1 ZINC000381471236 539001520 /nfs/dbraw/zinc/00/15/20/539001520.db2.gz OOJXXVXPZDGALO-JTQLQIEISA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)C(F)F)C1CCCCCC1 ZINC000381471238 539001665 /nfs/dbraw/zinc/00/16/65/539001665.db2.gz OOJXXVXPZDGALO-SNVBAGLBSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)(C)C1)Cc1cccs1 ZINC000381471369 346005697 /nfs/dbraw/zinc/00/56/97/346005697.db2.gz ORDXHUXEOWYNBZ-LLVKDONJSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)(C)C1)Cc1cccs1 ZINC000381471370 346005808 /nfs/dbraw/zinc/00/58/08/346005808.db2.gz ORDXHUXEOWYNBZ-NSHDSACASA-N 1 0 237.412 3.705 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)n1 ZINC000381471392 539001688 /nfs/dbraw/zinc/00/16/88/539001688.db2.gz MTORGLUWHSSXDY-QJPTWQEYSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)n1 ZINC000381471393 539001615 /nfs/dbraw/zinc/00/16/15/539001615.db2.gz MTORGLUWHSSXDY-SDDRHHMPSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)n1 ZINC000381471394 539001885 /nfs/dbraw/zinc/00/18/85/539001885.db2.gz MTORGLUWHSSXDY-SRVKXCTJSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)n1 ZINC000381471395 539001617 /nfs/dbraw/zinc/00/16/17/539001617.db2.gz MTORGLUWHSSXDY-TUAOUCFPSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCC2)cc(C)c1F ZINC000381471710 367413782 /nfs/dbraw/zinc/41/37/82/367413782.db2.gz OWLOXHPYGCOOTF-LLVKDONJSA-N 1 0 221.319 3.646 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCC2)cc(C)c1F ZINC000381471713 367413709 /nfs/dbraw/zinc/41/37/09/367413709.db2.gz OWLOXHPYGCOOTF-NSHDSACASA-N 1 0 221.319 3.646 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1(C)CC1 ZINC000381472144 710642773 /nfs/dbraw/zinc/64/27/73/710642773.db2.gz NAUOZTAEYMVYIN-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1(C)CC1 ZINC000381472145 710642415 /nfs/dbraw/zinc/64/24/15/710642415.db2.gz NAUOZTAEYMVYIN-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC23CCCC3)CCCC1 ZINC000381472277 367413614 /nfs/dbraw/zinc/41/36/14/367413614.db2.gz NDLVPTBVPMZWME-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CC1(C[NH2+][C@H]2CCC23CCCC3)CCCC1 ZINC000381472284 346009465 /nfs/dbraw/zinc/00/94/65/346009465.db2.gz NDLVPTBVPMZWME-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C12CCC(CC1)C2 ZINC000381472938 710642311 /nfs/dbraw/zinc/64/23/11/710642311.db2.gz PIEUJUADRWMZKG-DCBWTQNWSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C12CCC(CC1)C2 ZINC000381472939 710642085 /nfs/dbraw/zinc/64/20/85/710642085.db2.gz PIEUJUADRWMZKG-LKSINWNRSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H]1C[C@@]1([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000381473048 367414435 /nfs/dbraw/zinc/41/44/35/367414435.db2.gz NGZKGOATZNXIEY-GWCFXTLKSA-N 1 0 241.737 3.524 20 0 BHADRO C[C@H]1C[C@]1([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000381473050 367415057 /nfs/dbraw/zinc/41/50/57/367415057.db2.gz NGZKGOATZNXIEY-GXFFZTMASA-N 1 0 241.737 3.524 20 0 BHADRO C[C@@H]1C[C@@]1([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000381473052 367415199 /nfs/dbraw/zinc/41/51/99/367415199.db2.gz NGZKGOATZNXIEY-MFKMUULPSA-N 1 0 241.737 3.524 20 0 BHADRO C[C@@H]1C[C@]1([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000381473055 367415359 /nfs/dbraw/zinc/41/53/59/367415359.db2.gz NGZKGOATZNXIEY-ZWNOBZJWSA-N 1 0 241.737 3.524 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC1CC(C)(C)C1 ZINC000381473205 346013886 /nfs/dbraw/zinc/01/38/86/346013886.db2.gz PMIRKTXEKFTZNQ-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC1CC(C)(C)C1 ZINC000381473206 346013779 /nfs/dbraw/zinc/01/37/79/346013779.db2.gz PMIRKTXEKFTZNQ-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CCCc1csc(C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000381473555 367415419 /nfs/dbraw/zinc/41/54/19/367415419.db2.gz POKMCMIKGADZPU-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381474688 367415020 /nfs/dbraw/zinc/41/50/20/367415020.db2.gz CZBACWHDVSEBBH-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381474689 346027013 /nfs/dbraw/zinc/02/70/13/346027013.db2.gz CZBACWHDVSEBBH-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381474690 346026917 /nfs/dbraw/zinc/02/69/17/346026917.db2.gz CZBACWHDVSEBBH-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381474691 346026700 /nfs/dbraw/zinc/02/67/00/346026700.db2.gz CZBACWHDVSEBBH-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381474954 539001878 /nfs/dbraw/zinc/00/18/78/539001878.db2.gz QDPFJZFKEPFWFD-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381474955 539001620 /nfs/dbraw/zinc/00/16/20/539001620.db2.gz QDPFJZFKEPFWFD-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381474958 539001442 /nfs/dbraw/zinc/00/14/42/539001442.db2.gz QDPFJZFKEPFWFD-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381474961 539001626 /nfs/dbraw/zinc/00/16/26/539001626.db2.gz QDPFJZFKEPFWFD-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](C[NH2+]CCCCF)CC1CCCCC1 ZINC000381474999 346026266 /nfs/dbraw/zinc/02/62/66/346026266.db2.gz NSDXNKLHMJLMKJ-CYBMUJFWSA-N 1 0 229.383 3.932 20 0 BHADRO C[C@H](C[NH2+]CCCCF)CC1CCCCC1 ZINC000381475008 367414734 /nfs/dbraw/zinc/41/47/34/367414734.db2.gz NSDXNKLHMJLMKJ-ZDUSSCGKSA-N 1 0 229.383 3.932 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(CF)cc1)C(C)(C)C ZINC000381475055 710642603 /nfs/dbraw/zinc/64/26/03/710642603.db2.gz NTDSGENRWQPIPJ-LLVKDONJSA-N 1 0 223.335 3.680 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H](C)c1ccccc1 ZINC000381475564 367414998 /nfs/dbraw/zinc/41/49/98/367414998.db2.gz QLCCBQMHJKFMEF-DYEKYZERSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H](C)c1ccccc1 ZINC000381475567 367414609 /nfs/dbraw/zinc/41/46/09/367414609.db2.gz QLCCBQMHJKFMEF-MBNYWOFBSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000381475574 367414425 /nfs/dbraw/zinc/41/44/25/367414425.db2.gz QLCCBQMHJKFMEF-OBJOEFQTSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000381475580 367415326 /nfs/dbraw/zinc/41/53/26/367415326.db2.gz QLCCBQMHJKFMEF-SGMGOOAPSA-N 1 0 217.356 3.567 20 0 BHADRO CC1(C)CCC(C[NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000381475640 367415176 /nfs/dbraw/zinc/41/51/76/367415176.db2.gz QMCHCJBDIQLGIN-CHWSQXEVSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC(C[NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000381475641 367415583 /nfs/dbraw/zinc/41/55/83/367415583.db2.gz QMCHCJBDIQLGIN-OLZOCXBDSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC(C[NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000381475644 367414748 /nfs/dbraw/zinc/41/47/48/367414748.db2.gz QMCHCJBDIQLGIN-QWHCGFSZSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC(C[NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000381475648 367415243 /nfs/dbraw/zinc/41/52/43/367415243.db2.gz QMCHCJBDIQLGIN-STQMWFEESA-N 1 0 227.367 3.683 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1occc1C ZINC000381475707 367415572 /nfs/dbraw/zinc/41/55/72/367415572.db2.gz QNRFTFVWVNLXGN-AAEUAGOBSA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1occc1C ZINC000381475708 346026848 /nfs/dbraw/zinc/02/68/48/346026848.db2.gz QNRFTFVWVNLXGN-DGCLKSJQSA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1occc1C ZINC000381475713 346026770 /nfs/dbraw/zinc/02/67/70/346026770.db2.gz QNRFTFVWVNLXGN-WCQYABFASA-N 1 0 223.360 3.892 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1occc1C ZINC000381475715 346027011 /nfs/dbraw/zinc/02/70/11/346027011.db2.gz QNRFTFVWVNLXGN-YPMHNXCESA-N 1 0 223.360 3.892 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC(C)(C)C(F)(F)F ZINC000381476332 487509693 /nfs/dbraw/zinc/50/96/93/487509693.db2.gz QWCLTVLBXUUWAS-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)C(F)(F)F ZINC000381476333 487509649 /nfs/dbraw/zinc/50/96/49/487509649.db2.gz QWCLTVLBXUUWAS-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000381476855 710643781 /nfs/dbraw/zinc/64/37/81/710643781.db2.gz RDFUNIOOJBLGDR-FPMFFAJLSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000381476856 710643671 /nfs/dbraw/zinc/64/36/71/710643671.db2.gz RDFUNIOOJBLGDR-IACUBPJLSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000381476857 710643232 /nfs/dbraw/zinc/64/32/32/710643232.db2.gz RDFUNIOOJBLGDR-UBHSHLNASA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000381476858 710643584 /nfs/dbraw/zinc/64/35/84/710643584.db2.gz RDFUNIOOJBLGDR-YUTCNCBUSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@@H](N[C@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476883 346028992 /nfs/dbraw/zinc/02/89/92/346028992.db2.gz REIASZURSSLBHU-BBBLOLIVSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476884 346029165 /nfs/dbraw/zinc/02/91/65/346029165.db2.gz REIASZURSSLBHU-KXUCPTDWSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H](N[C@@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476885 346028920 /nfs/dbraw/zinc/02/89/20/346028920.db2.gz REIASZURSSLBHU-OPRDCNLKSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476886 346029054 /nfs/dbraw/zinc/02/90/54/346029054.db2.gz REIASZURSSLBHU-UTLUCORTSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccnc(Cl)c1 ZINC000381478056 710644042 /nfs/dbraw/zinc/64/40/42/710644042.db2.gz RPTSUGIXUQXNJG-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccnc(Cl)c1 ZINC000381478058 710643828 /nfs/dbraw/zinc/64/38/28/710643828.db2.gz RPTSUGIXUQXNJG-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000381478089 367414795 /nfs/dbraw/zinc/41/47/95/367414795.db2.gz RQIXXQBVWYOYKG-BDAKNGLRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(Cl)c(F)c1 ZINC000381478090 367414560 /nfs/dbraw/zinc/41/45/60/367414560.db2.gz RQIXXQBVWYOYKG-DTWKUNHWSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000381478091 367415593 /nfs/dbraw/zinc/41/55/93/367415593.db2.gz RQIXXQBVWYOYKG-IUCAKERBSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000381478093 367415157 /nfs/dbraw/zinc/41/51/57/367415157.db2.gz RQIXXQBVWYOYKG-RKDXNWHRSA-N 1 0 247.716 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccoc1 ZINC000381479029 346031368 /nfs/dbraw/zinc/03/13/68/346031368.db2.gz RYVVTRGIPIAMNO-BBCYWQGDSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccoc1 ZINC000381479030 346030969 /nfs/dbraw/zinc/03/09/69/346030969.db2.gz RYVVTRGIPIAMNO-DLOFLVKXSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccoc1 ZINC000381479031 346030795 /nfs/dbraw/zinc/03/07/95/346030795.db2.gz RYVVTRGIPIAMNO-MLCFOIATSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccoc1 ZINC000381479032 346030955 /nfs/dbraw/zinc/03/09/55/346030955.db2.gz RYVVTRGIPIAMNO-NPZBDFSRSA-N 1 0 219.328 3.509 20 0 BHADRO FC(F)C1([NH2+]C[C@@H]2CC=CCC2)CCCC1 ZINC000381479248 539001535 /nfs/dbraw/zinc/00/15/35/539001535.db2.gz BZEFFECMOGXOCD-LLVKDONJSA-N 1 0 229.314 3.510 20 0 BHADRO FC(F)C1([NH2+]C[C@H]2CC=CCC2)CCCC1 ZINC000381479249 539001642 /nfs/dbraw/zinc/00/16/42/539001642.db2.gz BZEFFECMOGXOCD-NSHDSACASA-N 1 0 229.314 3.510 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]C/C=C/Cl)cc1 ZINC000381479459 710643930 /nfs/dbraw/zinc/64/39/30/710643930.db2.gz SCJQWYZTNUTLLC-BJMVGYQFSA-N 1 0 237.774 3.826 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]C/C=C\Cl)cc1 ZINC000381479469 710644138 /nfs/dbraw/zinc/64/41/38/710644138.db2.gz SCJQWYZTNUTLLC-YHYXMXQVSA-N 1 0 237.774 3.826 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1CCCC1 ZINC000381481418 367416732 /nfs/dbraw/zinc/41/67/32/367416732.db2.gz SUORKASCPXHZOL-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1CCCC1 ZINC000381481425 367416141 /nfs/dbraw/zinc/41/61/41/367416141.db2.gz SUORKASCPXHZOL-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1F ZINC000381481746 367416742 /nfs/dbraw/zinc/41/67/42/367416742.db2.gz SXXMGIVWVYKFTO-JTQLQIEISA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1F ZINC000381481759 367416706 /nfs/dbraw/zinc/41/67/06/367416706.db2.gz SXXMGIVWVYKFTO-SNVBAGLBSA-N 1 0 221.319 3.665 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000381483225 367417052 /nfs/dbraw/zinc/41/70/52/367417052.db2.gz UERWXSDTLMXVJF-NGFQHRJXSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000381483226 367417028 /nfs/dbraw/zinc/41/70/28/367417028.db2.gz UERWXSDTLMXVJF-NMFUWQPSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000381483227 367415975 /nfs/dbraw/zinc/41/59/75/367415975.db2.gz UERWXSDTLMXVJF-REBRKWNGSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000381483228 367415935 /nfs/dbraw/zinc/41/59/35/367415935.db2.gz UERWXSDTLMXVJF-RZFFKMDDSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000381483342 539002133 /nfs/dbraw/zinc/00/21/33/539002133.db2.gz UGHXTSXRXFPFIQ-GFCCVEGCSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000381483344 539002309 /nfs/dbraw/zinc/00/23/09/539002309.db2.gz UGHXTSXRXFPFIQ-LBPRGKRZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+]C1CSC1)c1csc2ccccc12 ZINC000381484751 710644942 /nfs/dbraw/zinc/64/49/42/710644942.db2.gz UTMCETNISCAUQH-SECBINFHSA-N 1 0 249.404 3.667 20 0 BHADRO C[C@H]([NH2+]C1CSC1)c1csc2ccccc12 ZINC000381484753 710644340 /nfs/dbraw/zinc/64/43/40/710644340.db2.gz UTMCETNISCAUQH-VIFPVBQESA-N 1 0 249.404 3.667 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381484849 539002407 /nfs/dbraw/zinc/00/24/07/539002407.db2.gz UWDHCRBVADWERP-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381484850 539001978 /nfs/dbraw/zinc/00/19/78/539001978.db2.gz UWDHCRBVADWERP-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000381484851 539002004 /nfs/dbraw/zinc/00/20/04/539002004.db2.gz UWDHCRBVADWERP-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000381484852 539002229 /nfs/dbraw/zinc/00/22/29/539002229.db2.gz UWDHCRBVADWERP-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000381485758 346035900 /nfs/dbraw/zinc/03/59/00/346035900.db2.gz IILRIEXNEGKHGY-COPLHBTASA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000381485759 346035921 /nfs/dbraw/zinc/03/59/21/346035921.db2.gz IILRIEXNEGKHGY-MJVIPROJSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000381485760 346035986 /nfs/dbraw/zinc/03/59/86/346035986.db2.gz IILRIEXNEGKHGY-SUNKGSAMSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000381485761 346035944 /nfs/dbraw/zinc/03/59/44/346035944.db2.gz IILRIEXNEGKHGY-UHIISALHSA-N 1 0 235.396 3.858 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CCC1 ZINC000381486232 346035772 /nfs/dbraw/zinc/03/57/72/346035772.db2.gz VKCBBFWYWPAQAC-CYUUQNCZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C1CCC1 ZINC000381486233 346035821 /nfs/dbraw/zinc/03/58/21/346035821.db2.gz VKCBBFWYWPAQAC-PMOUVXMZSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CCC1 ZINC000381486234 346035963 /nfs/dbraw/zinc/03/59/63/346035963.db2.gz VKCBBFWYWPAQAC-SPWCGHHHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CCC1 ZINC000381486235 346035970 /nfs/dbraw/zinc/03/59/70/346035970.db2.gz VKCBBFWYWPAQAC-ZGKBOVNRSA-N 1 0 221.388 3.733 20 0 BHADRO FC(F)C1CCC([NH2+]CCC2CCC2)CC1 ZINC000381486724 710644915 /nfs/dbraw/zinc/64/49/15/710644915.db2.gz JGCKUJQZYNPRMW-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000381487359 357353119 /nfs/dbraw/zinc/35/31/19/357353119.db2.gz GPOPPKKKRWIPAK-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000381487361 367417970 /nfs/dbraw/zinc/41/79/70/367417970.db2.gz GPOPPKKKRWIPAK-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCCc1csc(C[NH2+]C(C)(C)C(C)C)n1 ZINC000381487858 367417476 /nfs/dbraw/zinc/41/74/76/367417476.db2.gz WBFANTYUMYAQHR-UHFFFAOYSA-N 1 0 240.416 3.620 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CC2CCC1CC2 ZINC000381488734 398259811 /nfs/dbraw/zinc/25/98/11/398259811.db2.gz GVYSLQWLHADKNB-USPMSXPRSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CC2CCC1CC2 ZINC000381488735 398259638 /nfs/dbraw/zinc/25/96/38/398259638.db2.gz GVYSLQWLHADKNB-UWLZSVRSSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)[C@H]1CC2CCC1CC2 ZINC000381488736 398259681 /nfs/dbraw/zinc/25/96/81/398259681.db2.gz GVYSLQWLHADKNB-WLIAPVHPSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CC2CCC1CC2 ZINC000381488737 398259793 /nfs/dbraw/zinc/25/97/93/398259793.db2.gz GVYSLQWLHADKNB-WOICTCIZSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC12CCCC2 ZINC000381488926 346038396 /nfs/dbraw/zinc/03/83/96/346038396.db2.gz WQRLOLGRMNVTTL-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CC12CCCC2 ZINC000381488927 346038654 /nfs/dbraw/zinc/03/86/54/346038654.db2.gz WQRLOLGRMNVTTL-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CC12CCCC2 ZINC000381488928 346038558 /nfs/dbraw/zinc/03/85/58/346038558.db2.gz WQRLOLGRMNVTTL-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CC12CCCC2 ZINC000381488929 346038542 /nfs/dbraw/zinc/03/85/42/346038542.db2.gz WQRLOLGRMNVTTL-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000381490318 346046005 /nfs/dbraw/zinc/04/60/05/346046005.db2.gz XGGBAYMYYHLUNW-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000381490319 346046231 /nfs/dbraw/zinc/04/62/31/346046231.db2.gz XGGBAYMYYHLUNW-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000381490320 346039928 /nfs/dbraw/zinc/03/99/28/346039928.db2.gz XGGBAYMYYHLUNW-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000381490321 346040167 /nfs/dbraw/zinc/04/01/67/346040167.db2.gz XGGBAYMYYHLUNW-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccs1 ZINC000381490738 346047443 /nfs/dbraw/zinc/04/74/43/346047443.db2.gz HIFFYRQVPZUVEX-NXEZZACHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccs1 ZINC000381490739 346047213 /nfs/dbraw/zinc/04/72/13/346047213.db2.gz HIFFYRQVPZUVEX-UWVGGRQHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccs1 ZINC000381490740 346047406 /nfs/dbraw/zinc/04/74/06/346047406.db2.gz HIFFYRQVPZUVEX-VHSXEESVSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccs1 ZINC000381490741 357355793 /nfs/dbraw/zinc/35/57/93/357355793.db2.gz HIFFYRQVPZUVEX-ZJUUUORDSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381491106 367417629 /nfs/dbraw/zinc/41/76/29/367417629.db2.gz HKSKZACEURLLRW-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381491107 367417553 /nfs/dbraw/zinc/41/75/53/367417553.db2.gz HKSKZACEURLLRW-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381491108 367418111 /nfs/dbraw/zinc/41/81/11/367418111.db2.gz HKSKZACEURLLRW-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381491109 367418323 /nfs/dbraw/zinc/41/83/23/367418323.db2.gz HKSKZACEURLLRW-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)C(F)(F)F ZINC000381491209 346059324 /nfs/dbraw/zinc/05/93/24/346059324.db2.gz XUUPLCPMXHHWFS-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)C(F)(F)F ZINC000381491210 346059398 /nfs/dbraw/zinc/05/93/98/346059398.db2.gz XUUPLCPMXHHWFS-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(F)(F)F ZINC000381491211 346059445 /nfs/dbraw/zinc/05/94/45/346059445.db2.gz XUUPLCPMXHHWFS-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(F)(F)F ZINC000381491212 346059248 /nfs/dbraw/zinc/05/92/48/346059248.db2.gz XUUPLCPMXHHWFS-ZRUFSTJUSA-N 1 0 237.309 3.599 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1csc(C)c1)OC ZINC000381491947 346068419 /nfs/dbraw/zinc/06/84/19/346068419.db2.gz QRLCKQMQFWMIKB-AAEUAGOBSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1csc(C)c1)OC ZINC000381491948 346068188 /nfs/dbraw/zinc/06/81/88/346068188.db2.gz QRLCKQMQFWMIKB-DGCLKSJQSA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1csc(C)c1)OC ZINC000381491949 346068319 /nfs/dbraw/zinc/06/83/19/346068319.db2.gz QRLCKQMQFWMIKB-WCQYABFASA-N 1 0 241.400 3.522 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1csc(C)c1)OC ZINC000381491950 346068133 /nfs/dbraw/zinc/06/81/33/346068133.db2.gz QRLCKQMQFWMIKB-YPMHNXCESA-N 1 0 241.400 3.522 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CCSCC1 ZINC000381492324 367417977 /nfs/dbraw/zinc/41/79/77/367417977.db2.gz YNROPOSTEWQJGV-AAEUAGOBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CCSCC1 ZINC000381492325 367417906 /nfs/dbraw/zinc/41/79/06/367417906.db2.gz YNROPOSTEWQJGV-DGCLKSJQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CCSCC1 ZINC000381492326 367417645 /nfs/dbraw/zinc/41/76/45/367417645.db2.gz YNROPOSTEWQJGV-WCQYABFASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CCSCC1 ZINC000381492327 367418234 /nfs/dbraw/zinc/41/82/34/367418234.db2.gz YNROPOSTEWQJGV-YPMHNXCESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000381493569 398257314 /nfs/dbraw/zinc/25/73/14/398257314.db2.gz IEFUBCMCSQRTSQ-GHMZBOCLSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000381493570 398257333 /nfs/dbraw/zinc/25/73/33/398257333.db2.gz IEFUBCMCSQRTSQ-MNOVXSKESA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000381493572 398257339 /nfs/dbraw/zinc/25/73/39/398257339.db2.gz IEFUBCMCSQRTSQ-QWRGUYRKSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000381493575 398257309 /nfs/dbraw/zinc/25/73/09/398257309.db2.gz IEFUBCMCSQRTSQ-WDEREUQCSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000381493955 367419560 /nfs/dbraw/zinc/41/95/60/367419560.db2.gz ZMARZIFNVJGKCW-GHMZBOCLSA-N 1 0 237.774 3.974 20 0 BHADRO C[C@H]([NH2+]C1CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000381493957 367419713 /nfs/dbraw/zinc/41/97/13/367419713.db2.gz ZMARZIFNVJGKCW-MNOVXSKESA-N 1 0 237.774 3.974 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC1 ZINC000381493962 367419507 /nfs/dbraw/zinc/41/95/07/367419507.db2.gz ZMARZIFNVJGKCW-QWRGUYRKSA-N 1 0 237.774 3.974 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000381493963 367419349 /nfs/dbraw/zinc/41/93/49/367419349.db2.gz ZMARZIFNVJGKCW-WDEREUQCSA-N 1 0 237.774 3.974 20 0 BHADRO CC1(C)CC([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000381494521 538467921 /nfs/dbraw/zinc/46/79/21/538467921.db2.gz ZTRVPPMWGDHKAT-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1scnc1C ZINC000381495064 367419647 /nfs/dbraw/zinc/41/96/47/367419647.db2.gz AXLADXFPKMAYHK-GHMZBOCLSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1scnc1C ZINC000381495067 367419305 /nfs/dbraw/zinc/41/93/05/367419305.db2.gz AXLADXFPKMAYHK-MNOVXSKESA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1scnc1C ZINC000381495069 367419582 /nfs/dbraw/zinc/41/95/82/367419582.db2.gz AXLADXFPKMAYHK-QWRGUYRKSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1scnc1C ZINC000381495075 346109628 /nfs/dbraw/zinc/10/96/28/346109628.db2.gz AXLADXFPKMAYHK-WDEREUQCSA-N 1 0 240.416 3.756 20 0 BHADRO FC1(F)CC(C[NH2+]CCC2CCCCC2)C1 ZINC000381495092 346109965 /nfs/dbraw/zinc/10/99/65/346109965.db2.gz MARPVNUYZFGIFD-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000381495247 710646805 /nfs/dbraw/zinc/64/68/05/710646805.db2.gz BRAWXTPHCLMFLG-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000381495250 710646100 /nfs/dbraw/zinc/64/61/00/710646100.db2.gz BRAWXTPHCLMFLG-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000381495255 710646778 /nfs/dbraw/zinc/64/67/78/710646778.db2.gz BRAWXTPHCLMFLG-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000381495262 710646264 /nfs/dbraw/zinc/64/62/64/710646264.db2.gz BRAWXTPHCLMFLG-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO FCCCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000381495951 367419360 /nfs/dbraw/zinc/41/93/60/367419360.db2.gz BXHLVXFADHPVKS-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CC[C@@H](C)F)c1 ZINC000381496019 346113030 /nfs/dbraw/zinc/11/30/30/346113030.db2.gz BUNXKYAXSABZAJ-GFCCVEGCSA-N 1 0 223.335 3.568 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CC[C@H](C)F)c1 ZINC000381496027 346113546 /nfs/dbraw/zinc/11/35/46/346113546.db2.gz BUNXKYAXSABZAJ-LBPRGKRZSA-N 1 0 223.335 3.568 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCc2cccs2)CC1 ZINC000381496547 346125210 /nfs/dbraw/zinc/12/52/10/346125210.db2.gz OCCJXIYTUKDICC-CYBMUJFWSA-N 1 0 235.396 3.769 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCc2cccs2)CC1 ZINC000381496548 346125229 /nfs/dbraw/zinc/12/52/29/346125229.db2.gz OCCJXIYTUKDICC-ZDUSSCGKSA-N 1 0 235.396 3.769 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000381496588 710647392 /nfs/dbraw/zinc/64/73/92/710647392.db2.gz BZCDIWYPYFLLJP-UNXYVOJBSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000381496589 710647765 /nfs/dbraw/zinc/64/77/65/710647765.db2.gz BZCDIWYPYFLLJP-VOMCLLRMSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000381496774 710649163 /nfs/dbraw/zinc/64/91/63/710649163.db2.gz BIVVEIYBIJBCPR-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCC1 ZINC000381497128 346138015 /nfs/dbraw/zinc/13/80/15/346138015.db2.gz ITQOOZDXXUUSFH-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000381497129 346138315 /nfs/dbraw/zinc/13/83/15/346138315.db2.gz ITQOOZDXXUUSFH-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000381497130 346138291 /nfs/dbraw/zinc/13/82/91/346138291.db2.gz ITQOOZDXXUUSFH-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCC1 ZINC000381497132 367419376 /nfs/dbraw/zinc/41/93/76/367419376.db2.gz ITQOOZDXXUUSFH-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C(C[NH2+]C1CC2(CCC2)C1)CC1CCCC1 ZINC000381497367 367419101 /nfs/dbraw/zinc/41/91/01/367419101.db2.gz CADJPLCUJUVJHW-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000381497981 367419167 /nfs/dbraw/zinc/41/91/67/367419167.db2.gz OHMAIOUQYPZQNT-CHWFTXMASA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000381497982 367419223 /nfs/dbraw/zinc/41/92/23/367419223.db2.gz OHMAIOUQYPZQNT-GWOFURMSSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000381497983 367419623 /nfs/dbraw/zinc/41/96/23/367419623.db2.gz OHMAIOUQYPZQNT-LNFKQOIKSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000381497984 367419667 /nfs/dbraw/zinc/41/96/67/367419667.db2.gz OHMAIOUQYPZQNT-ZRUFSTJUSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@H](C)C1(C)CC1 ZINC000381498178 710646165 /nfs/dbraw/zinc/64/61/65/710646165.db2.gz COMAAHANXJNACN-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C1(C)CC1 ZINC000381498180 710646152 /nfs/dbraw/zinc/64/61/52/710646152.db2.gz COMAAHANXJNACN-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C1(C)CC1 ZINC000381498182 710645839 /nfs/dbraw/zinc/64/58/39/710645839.db2.gz COMAAHANXJNACN-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H](C)C1(C)CC1 ZINC000381498184 710646066 /nfs/dbraw/zinc/64/60/66/710646066.db2.gz COMAAHANXJNACN-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO Clc1ccccc1C[NH2+]C12CCC(CC1)C2 ZINC000381498380 710647397 /nfs/dbraw/zinc/64/73/97/710647397.db2.gz BVOJDZROXKBCIM-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCC1 ZINC000381498808 346162214 /nfs/dbraw/zinc/16/22/14/346162214.db2.gz OLVYNHJGXQVZBP-LUAWRHEFSA-N 1 0 235.758 3.885 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCC1 ZINC000381498813 346162598 /nfs/dbraw/zinc/16/25/98/346162598.db2.gz OLVYNHJGXQVZBP-PKNBQFBNSA-N 1 0 235.758 3.885 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000381498929 346163237 /nfs/dbraw/zinc/16/32/37/346163237.db2.gz OMNJRTPEBCSFCJ-DCAQKATOSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C(F)(F)F ZINC000381498943 367420385 /nfs/dbraw/zinc/42/03/85/367420385.db2.gz OMNJRTPEBCSFCJ-GARJFASQSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000381498946 367420408 /nfs/dbraw/zinc/42/04/08/367420408.db2.gz OMNJRTPEBCSFCJ-OUAUKWLOSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C(F)(F)F ZINC000381498949 367420449 /nfs/dbraw/zinc/42/04/49/367420449.db2.gz OMNJRTPEBCSFCJ-VWYCJHECSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000381499214 367420444 /nfs/dbraw/zinc/42/04/44/367420444.db2.gz CUGIHPQRWCLUTD-MPKXVKKWSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000381499250 367420370 /nfs/dbraw/zinc/42/03/70/367420370.db2.gz CUGIHPQRWCLUTD-QKCSRTOESA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000381499253 346161880 /nfs/dbraw/zinc/16/18/80/346161880.db2.gz CUGIHPQRWCLUTD-SUHUHFCYSA-N 1 0 237.412 3.766 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000381499257 346161884 /nfs/dbraw/zinc/16/18/84/346161884.db2.gz CUGIHPQRWCLUTD-ZKYQVNSYSA-N 1 0 237.412 3.766 20 0 BHADRO Clc1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000381499581 710647698 /nfs/dbraw/zinc/64/76/98/710647698.db2.gz CBPSVNHJVZSLQR-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO CCC(CC)C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000381499603 346163897 /nfs/dbraw/zinc/16/38/97/346163897.db2.gz CVBWGYSGFNBYKG-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO CCSc1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000381499628 346163909 /nfs/dbraw/zinc/16/39/09/346163909.db2.gz CVGODXGZPXVEHM-GFCCVEGCSA-N 1 0 237.412 3.933 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000381499629 346163665 /nfs/dbraw/zinc/16/36/65/346163665.db2.gz CVGODXGZPXVEHM-LBPRGKRZSA-N 1 0 237.412 3.933 20 0 BHADRO CCC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC000381499816 346164661 /nfs/dbraw/zinc/16/46/61/346164661.db2.gz CZADQTOKZPIXLG-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000381501135 367420503 /nfs/dbraw/zinc/42/05/03/367420503.db2.gz PACRRTNIZGWMOK-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CCC1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000381501677 367420281 /nfs/dbraw/zinc/42/02/81/367420281.db2.gz GSFFLOIZPKZKRX-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCCC(C)C ZINC000381502354 367420360 /nfs/dbraw/zinc/42/03/60/367420360.db2.gz PVFYAFWZDPIICF-LLVKDONJSA-N 1 0 241.400 3.844 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCCC(C)C ZINC000381502355 367420361 /nfs/dbraw/zinc/42/03/61/367420361.db2.gz PVFYAFWZDPIICF-NSHDSACASA-N 1 0 241.400 3.844 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000381502869 539001992 /nfs/dbraw/zinc/00/19/92/539001992.db2.gz HQWBKHLXTYZNSC-DOMZBBRYSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000381502870 539002094 /nfs/dbraw/zinc/00/20/94/539002094.db2.gz HQWBKHLXTYZNSC-IUODEOHRSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000381502871 539002123 /nfs/dbraw/zinc/00/21/23/539002123.db2.gz HQWBKHLXTYZNSC-SWLSCSKDSA-N 1 0 217.356 3.527 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000381502872 539002060 /nfs/dbraw/zinc/00/20/60/539002060.db2.gz HQWBKHLXTYZNSC-WFASDCNBSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000381503642 346171682 /nfs/dbraw/zinc/17/16/82/346171682.db2.gz IOZPDLHHJAOTMF-GMTAPVOTSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000381503644 346171696 /nfs/dbraw/zinc/17/16/96/346171696.db2.gz IOZPDLHHJAOTMF-MXWKQRLJSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000381503647 346171764 /nfs/dbraw/zinc/17/17/64/346171764.db2.gz IOZPDLHHJAOTMF-OUAUKWLOSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000381503648 346171863 /nfs/dbraw/zinc/17/18/63/346171863.db2.gz IOZPDLHHJAOTMF-VWYCJHECSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000381506095 367421575 /nfs/dbraw/zinc/42/15/75/367421575.db2.gz PZQWMPWAYYBGCN-MQMHXKEQSA-N 1 0 237.774 3.832 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000381506976 539002639 /nfs/dbraw/zinc/00/26/39/539002639.db2.gz QCXDOUSWLZGAGK-KBPBESRZSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000381506986 539002717 /nfs/dbraw/zinc/00/27/17/539002717.db2.gz QCXDOUSWLZGAGK-KGLIPLIRSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000381506991 539002661 /nfs/dbraw/zinc/00/26/61/539002661.db2.gz QCXDOUSWLZGAGK-UONOGXRCSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000381506995 539002676 /nfs/dbraw/zinc/00/26/76/539002676.db2.gz QCXDOUSWLZGAGK-ZIAGYGMSSA-N 1 0 221.344 3.502 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000381507073 367421461 /nfs/dbraw/zinc/42/14/61/367421461.db2.gz QDFRQZLEYSTFHN-AEGPPILISA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000381507078 346205335 /nfs/dbraw/zinc/20/53/35/346205335.db2.gz QDFRQZLEYSTFHN-CFVMTHIKSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000381507085 367421556 /nfs/dbraw/zinc/42/15/56/367421556.db2.gz QDFRQZLEYSTFHN-NWANDNLSSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000381507097 346205139 /nfs/dbraw/zinc/20/51/39/346205139.db2.gz QDFRQZLEYSTFHN-QEJZJMRPSA-N 1 0 219.372 3.511 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1(C)CCC1 ZINC000381507889 346207348 /nfs/dbraw/zinc/20/73/48/346207348.db2.gz QHFPDZQWIOQNTA-QBFSEMIESA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000381508986 357384975 /nfs/dbraw/zinc/38/49/75/357384975.db2.gz NFNGXXXRLRGWGC-CMPLNLGQSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000381508994 346210618 /nfs/dbraw/zinc/21/06/18/346210618.db2.gz NFNGXXXRLRGWGC-JQWIXIFHSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000381508995 346210653 /nfs/dbraw/zinc/21/06/53/346210653.db2.gz NFNGXXXRLRGWGC-PWSUYJOCSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000381508997 346210404 /nfs/dbraw/zinc/21/04/04/346210404.db2.gz NFNGXXXRLRGWGC-ZYHUDNBSSA-N 1 0 227.298 3.533 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000381509402 367422050 /nfs/dbraw/zinc/42/20/50/367422050.db2.gz QPPURPZNAOJXMJ-AVGNSLFASA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000381509405 367422092 /nfs/dbraw/zinc/42/20/92/367422092.db2.gz QPPURPZNAOJXMJ-RWMBFGLXSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000381509407 367421469 /nfs/dbraw/zinc/42/14/69/367421469.db2.gz QPPURPZNAOJXMJ-XQQFMLRXSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000381509409 367422189 /nfs/dbraw/zinc/42/21/89/367422189.db2.gz QPPURPZNAOJXMJ-YNEHKIRRSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](C[NH2+]C1CC=CC1)c1cccc(Cl)c1 ZINC000381510946 539002703 /nfs/dbraw/zinc/00/27/03/539002703.db2.gz PLEWGLQPLXPZFS-LLVKDONJSA-N 1 0 235.758 3.752 20 0 BHADRO C[C@@H](C[NH2+]C1CC=CC1)c1cccc(Cl)c1 ZINC000381510947 539002543 /nfs/dbraw/zinc/00/25/43/539002543.db2.gz PLEWGLQPLXPZFS-NSHDSACASA-N 1 0 235.758 3.752 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000381512362 367421313 /nfs/dbraw/zinc/42/13/13/367421313.db2.gz RLXLZQGMHQFFIA-GFCCVEGCSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000381512366 346220682 /nfs/dbraw/zinc/22/06/82/346220682.db2.gz RLXLZQGMHQFFIA-LBPRGKRZSA-N 1 0 241.444 3.546 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c(C)s1 ZINC000381513037 539002838 /nfs/dbraw/zinc/00/28/38/539002838.db2.gz RQXCRQAXDJHRNO-LLVKDONJSA-N 1 0 245.338 3.642 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC(F)(F)C2)c(C)s1 ZINC000381513040 539002610 /nfs/dbraw/zinc/00/26/10/539002610.db2.gz RQXCRQAXDJHRNO-NSHDSACASA-N 1 0 245.338 3.642 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000381513367 344515273 /nfs/dbraw/zinc/51/52/73/344515273.db2.gz RSTPVCLXEFIMHY-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000381513368 344515267 /nfs/dbraw/zinc/51/52/67/344515267.db2.gz RSTPVCLXEFIMHY-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000381513369 344515412 /nfs/dbraw/zinc/51/54/12/344515412.db2.gz RSTPVCLXEFIMHY-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000381513370 344515323 /nfs/dbraw/zinc/51/53/23/344515323.db2.gz RSTPVCLXEFIMHY-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1ccco1 ZINC000381513907 346224939 /nfs/dbraw/zinc/22/49/39/346224939.db2.gz RVUCOUSFFFQRBS-CHWSQXEVSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1ccco1 ZINC000381513908 346224955 /nfs/dbraw/zinc/22/49/55/346224955.db2.gz RVUCOUSFFFQRBS-OLZOCXBDSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1ccco1 ZINC000381513909 346225413 /nfs/dbraw/zinc/22/54/13/346225413.db2.gz RVUCOUSFFFQRBS-QWHCGFSZSA-N 1 0 223.360 3.830 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccco1 ZINC000381513910 346225597 /nfs/dbraw/zinc/22/55/97/346225597.db2.gz RVUCOUSFFFQRBS-STQMWFEESA-N 1 0 223.360 3.830 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000381514496 367423309 /nfs/dbraw/zinc/42/33/09/367423309.db2.gz RYANKCYZURFBOA-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000381514497 346226718 /nfs/dbraw/zinc/22/67/18/346226718.db2.gz RYANKCYZURFBOA-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000381514498 346226612 /nfs/dbraw/zinc/22/66/12/346226612.db2.gz RYANKCYZURFBOA-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000381514499 346226668 /nfs/dbraw/zinc/22/66/68/346226668.db2.gz RYANKCYZURFBOA-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000381515409 539002608 /nfs/dbraw/zinc/00/26/08/539002608.db2.gz SDZCDPBJBMTTPN-BEAPCOKYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000381515413 539002557 /nfs/dbraw/zinc/00/25/57/539002557.db2.gz SDZCDPBJBMTTPN-FAAHXZRKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000381515415 539002916 /nfs/dbraw/zinc/00/29/16/539002916.db2.gz SDZCDPBJBMTTPN-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000381515416 539002822 /nfs/dbraw/zinc/00/28/22/539002822.db2.gz SDZCDPBJBMTTPN-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)C1CC1)C1CCCCC1 ZINC000381516260 487510534 /nfs/dbraw/zinc/51/05/34/487510534.db2.gz QTDPCCNAZBNDRQ-GFCCVEGCSA-N 1 0 223.404 3.981 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)C1CC1)C1CCCCC1 ZINC000381516265 487510632 /nfs/dbraw/zinc/51/06/32/487510632.db2.gz QTDPCCNAZBNDRQ-LBPRGKRZSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000381516397 367423213 /nfs/dbraw/zinc/42/32/13/367423213.db2.gz QXJKPKXBAVDSOL-JTQLQIEISA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000381516399 367423159 /nfs/dbraw/zinc/42/31/59/367423159.db2.gz QXJKPKXBAVDSOL-SNVBAGLBSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000381517048 539002877 /nfs/dbraw/zinc/00/28/77/539002877.db2.gz SNFKFLXYZCFRLG-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000381517050 539002792 /nfs/dbraw/zinc/00/27/92/539002792.db2.gz SNFKFLXYZCFRLG-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000381517052 539002752 /nfs/dbraw/zinc/00/27/52/539002752.db2.gz SNFKFLXYZCFRLG-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000381517055 539002773 /nfs/dbraw/zinc/00/27/73/539002773.db2.gz SNFKFLXYZCFRLG-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC(C)(C)C1 ZINC000381517061 367423020 /nfs/dbraw/zinc/42/30/20/367423020.db2.gz SNOQDRCNKHMWAO-LPWJVIDDSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC(C)(C)C1 ZINC000381517063 367423539 /nfs/dbraw/zinc/42/35/39/367423539.db2.gz SNOQDRCNKHMWAO-NDBYEHHHSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)CC(C)(C)C1 ZINC000381517065 367423039 /nfs/dbraw/zinc/42/30/39/367423039.db2.gz SNOQDRCNKHMWAO-VOAKCMCISA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)CC(C)(C)C1 ZINC000381517067 367423487 /nfs/dbraw/zinc/42/34/87/367423487.db2.gz SNOQDRCNKHMWAO-XQHKEYJVSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000381517149 367423610 /nfs/dbraw/zinc/42/36/10/367423610.db2.gz SOWXJQRAMOFDSO-CYBMUJFWSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000381517152 367423363 /nfs/dbraw/zinc/42/33/63/367423363.db2.gz SOWXJQRAMOFDSO-ZDUSSCGKSA-N 1 0 237.774 3.963 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCCCC1 ZINC000381517179 367423048 /nfs/dbraw/zinc/42/30/48/367423048.db2.gz SPQNZDAGOYCWGY-LLVKDONJSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCCCC1 ZINC000381517180 367423240 /nfs/dbraw/zinc/42/32/40/367423240.db2.gz SPQNZDAGOYCWGY-NSHDSACASA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(C)(C)C ZINC000381517424 346231637 /nfs/dbraw/zinc/23/16/37/346231637.db2.gz SRHUEDSJKRTIFT-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(C)(C)C ZINC000381517433 346231807 /nfs/dbraw/zinc/23/18/07/346231807.db2.gz SRHUEDSJKRTIFT-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000381517442 346231704 /nfs/dbraw/zinc/23/17/04/346231704.db2.gz SRJACTBIRMKCNV-AGIUHOORSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000381517443 346231843 /nfs/dbraw/zinc/23/18/43/346231843.db2.gz SRJACTBIRMKCNV-FRRDWIJNSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000381517444 346231678 /nfs/dbraw/zinc/23/16/78/346231678.db2.gz SRJACTBIRMKCNV-JHJVBQTASA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000381517445 346232198 /nfs/dbraw/zinc/23/21/98/346232198.db2.gz SRJACTBIRMKCNV-UPJWGTAASA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000381517897 346234423 /nfs/dbraw/zinc/23/44/23/346234423.db2.gz SULJTBMDPZTHRF-GHMZBOCLSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000381517901 346234519 /nfs/dbraw/zinc/23/45/19/346234519.db2.gz SULJTBMDPZTHRF-MNOVXSKESA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000381517902 346234408 /nfs/dbraw/zinc/23/44/08/346234408.db2.gz SULJTBMDPZTHRF-QWRGUYRKSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000381517903 346234214 /nfs/dbraw/zinc/23/42/14/346234214.db2.gz SULJTBMDPZTHRF-WDEREUQCSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CF)[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000381518266 367422756 /nfs/dbraw/zinc/42/27/56/367422756.db2.gz SXSZWYWDKRIISI-AGIUHOORSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CF)[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000381518267 367422985 /nfs/dbraw/zinc/42/29/85/367422985.db2.gz SXSZWYWDKRIISI-FRRDWIJNSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CF)[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000381518286 346235663 /nfs/dbraw/zinc/23/56/63/346235663.db2.gz SXSZWYWDKRIISI-JHJVBQTASA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CF)[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000381518297 398045373 /nfs/dbraw/zinc/04/53/73/398045373.db2.gz SXSZWYWDKRIISI-UPJWGTAASA-N 1 0 229.383 3.929 20 0 BHADRO Cc1cc(C[NH2+]C[C@H]2CCCC2(F)F)cs1 ZINC000381518402 367422696 /nfs/dbraw/zinc/42/26/96/367422696.db2.gz MDFVMCONVGKVOF-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)cs1 ZINC000381518404 367423056 /nfs/dbraw/zinc/42/30/56/367423056.db2.gz MDFVMCONVGKVOF-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc(CC[NH2+][C@H]2CC[C@@H]2C)ccc1Cl ZINC000381519167 710650562 /nfs/dbraw/zinc/65/05/62/710650562.db2.gz TZEWXXUQRVDSBN-HZMBPMFUSA-N 1 0 237.774 3.579 20 0 BHADRO Cc1cc(CC[NH2+][C@@H]2CC[C@@H]2C)ccc1Cl ZINC000381519509 710650303 /nfs/dbraw/zinc/65/03/03/710650303.db2.gz TZEWXXUQRVDSBN-IINYFYTJSA-N 1 0 237.774 3.579 20 0 BHADRO Cc1cc(CC[NH2+][C@@H]2CC[C@H]2C)ccc1Cl ZINC000381519511 710650420 /nfs/dbraw/zinc/65/04/20/710650420.db2.gz TZEWXXUQRVDSBN-QMTHXVAHSA-N 1 0 237.774 3.579 20 0 BHADRO Cc1cc(CC[NH2+][C@H]2CC[C@H]2C)ccc1Cl ZINC000381519513 710649908 /nfs/dbraw/zinc/64/99/08/710649908.db2.gz TZEWXXUQRVDSBN-YGRLFVJLSA-N 1 0 237.774 3.579 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000381519593 346237993 /nfs/dbraw/zinc/23/79/93/346237993.db2.gz UCBXGPFJXUCRQW-DBIOUOCHSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000381519594 346237943 /nfs/dbraw/zinc/23/79/43/346237943.db2.gz UCBXGPFJXUCRQW-MMWGEVLESA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000381519595 346238029 /nfs/dbraw/zinc/23/80/29/346238029.db2.gz UCBXGPFJXUCRQW-YTWAJWBKSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000381519596 346238001 /nfs/dbraw/zinc/23/80/01/346238001.db2.gz UCBXGPFJXUCRQW-ZDCRXTMVSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000381520241 367423405 /nfs/dbraw/zinc/42/34/05/367423405.db2.gz UIIPQJSWRMRNHD-AWEZNQCLSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)CSCCC[NH2+][C@H](C(C)C)C1CC1 ZINC000381520250 367423113 /nfs/dbraw/zinc/42/31/13/367423113.db2.gz UIIPQJSWRMRNHD-CQSZACIVSA-N 1 0 243.460 3.790 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000381520438 367424245 /nfs/dbraw/zinc/42/42/45/367424245.db2.gz UMLMNKDQCJXGAZ-UHFFFAOYSA-N 1 0 247.716 3.754 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000381520757 346241908 /nfs/dbraw/zinc/24/19/08/346241908.db2.gz XDNQXIQIEVCYFN-BXUZGUMPSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000381520758 346241832 /nfs/dbraw/zinc/24/18/32/346241832.db2.gz XDNQXIQIEVCYFN-FZMZJTMJSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000381520760 346241883 /nfs/dbraw/zinc/24/18/83/346241883.db2.gz XDNQXIQIEVCYFN-RISCZKNCSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000381520766 346241829 /nfs/dbraw/zinc/24/18/29/346241829.db2.gz XDNQXIQIEVCYFN-SMDDNHRTSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C([NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC000381521130 710650162 /nfs/dbraw/zinc/65/01/62/710650162.db2.gz UTBMBNHUQLDPMF-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)NC1(C(F)F)CC1 ZINC000381521190 346241228 /nfs/dbraw/zinc/24/12/28/346241228.db2.gz UUONIMWHKXDHHS-MNOVXSKESA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)NC1(C(F)F)CC1 ZINC000381521191 346241063 /nfs/dbraw/zinc/24/10/63/346241063.db2.gz UUONIMWHKXDHHS-QWRGUYRKSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)NC1(C(F)F)CC1 ZINC000381521192 346241039 /nfs/dbraw/zinc/24/10/39/346241039.db2.gz UUONIMWHKXDHHS-WDEREUQCSA-N 1 0 233.346 3.835 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381522604 367424083 /nfs/dbraw/zinc/42/40/83/367424083.db2.gz VFEFQWPNUGMHLP-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381522608 367424438 /nfs/dbraw/zinc/42/44/38/367424438.db2.gz VFEFQWPNUGMHLP-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000381523136 346244960 /nfs/dbraw/zinc/24/49/60/346244960.db2.gz VJFIKEAVVBYYMG-NXEZZACHSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000381523137 346244867 /nfs/dbraw/zinc/24/48/67/346244867.db2.gz VJFIKEAVVBYYMG-UWVGGRQHSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000381523138 346244714 /nfs/dbraw/zinc/24/47/14/346244714.db2.gz VJFIKEAVVBYYMG-VHSXEESVSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000381523139 346244901 /nfs/dbraw/zinc/24/49/01/346244901.db2.gz VJFIKEAVVBYYMG-ZJUUUORDSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000381523190 710649793 /nfs/dbraw/zinc/64/97/93/710649793.db2.gz VKBRMNAGABFKHS-UNXYVOJBSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000381523191 710650370 /nfs/dbraw/zinc/65/03/70/710650370.db2.gz VKBRMNAGABFKHS-VOMCLLRMSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2C)CS1 ZINC000381523561 346245816 /nfs/dbraw/zinc/24/58/16/346245816.db2.gz VQFQSBGQPOOVPD-CRWXNKLISA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2C)CS1 ZINC000381523562 346246259 /nfs/dbraw/zinc/24/62/59/346246259.db2.gz VQFQSBGQPOOVPD-MQYQWHSLSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)CS1 ZINC000381523563 346246231 /nfs/dbraw/zinc/24/62/31/346246231.db2.gz VQFQSBGQPOOVPD-RFGFWPKPSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)CS1 ZINC000381523564 346245997 /nfs/dbraw/zinc/24/59/97/346245997.db2.gz VQFQSBGQPOOVPD-XUXIUFHCSA-N 1 0 241.444 3.542 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C(C)C)C2CC2)c(C)s1 ZINC000381524050 539003079 /nfs/dbraw/zinc/00/30/79/539003079.db2.gz VVJIPKMRSDYTKE-AWEZNQCLSA-N 1 0 237.412 3.889 20 0 BHADRO Cc1cc(C[NH2+][C@H](C(C)C)C2CC2)c(C)s1 ZINC000381524058 539003085 /nfs/dbraw/zinc/00/30/85/539003085.db2.gz VVJIPKMRSDYTKE-CQSZACIVSA-N 1 0 237.412 3.889 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000381524561 346248459 /nfs/dbraw/zinc/24/84/59/346248459.db2.gz VZXHXOZFUDQGJU-FRRDWIJNSA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000381524562 346248546 /nfs/dbraw/zinc/24/85/46/346248546.db2.gz VZXHXOZFUDQGJU-JHJVBQTASA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000381524563 346248405 /nfs/dbraw/zinc/24/84/05/346248405.db2.gz VZXHXOZFUDQGJU-RWMBFGLXSA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000381524564 346248531 /nfs/dbraw/zinc/24/85/31/346248531.db2.gz VZXHXOZFUDQGJU-YNEHKIRRSA-N 1 0 235.396 3.807 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000381524580 346248456 /nfs/dbraw/zinc/24/84/56/346248456.db2.gz WAKOVTNGUYSXIR-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000381524581 346248613 /nfs/dbraw/zinc/24/86/13/346248613.db2.gz WAKOVTNGUYSXIR-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381525244 367424644 /nfs/dbraw/zinc/42/46/44/367424644.db2.gz NUTFNXMHKJEMLR-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000381525246 367424591 /nfs/dbraw/zinc/42/45/91/367424591.db2.gz NUTFNXMHKJEMLR-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381525247 367424230 /nfs/dbraw/zinc/42/42/30/367424230.db2.gz NUTFNXMHKJEMLR-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000381525248 367424697 /nfs/dbraw/zinc/42/46/97/367424697.db2.gz NUTFNXMHKJEMLR-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)([NH2+]C/C=C\Cl)c1ccc(F)c(F)c1 ZINC000381525720 710651485 /nfs/dbraw/zinc/65/14/85/710651485.db2.gz WMRFVUTYOOINCO-UTCJRWHESA-N 1 0 245.700 3.542 20 0 BHADRO CC(C)=CC[NH2+]C/C(C)=C\c1ccccc1 ZINC000381525780 346251354 /nfs/dbraw/zinc/25/13/54/346251354.db2.gz WOQNJUZFJILPAB-KAMYIIQDSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000381526064 367424213 /nfs/dbraw/zinc/42/42/13/367424213.db2.gz WRKHADIKADKCBN-GFCCVEGCSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000381526065 367424544 /nfs/dbraw/zinc/42/45/44/367424544.db2.gz WRKHADIKADKCBN-LBPRGKRZSA-N 1 0 239.428 3.951 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000381526983 487511621 /nfs/dbraw/zinc/51/16/21/487511621.db2.gz XFSNIUZSSIWBSF-ZIAGYGMSSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000381527674 346255120 /nfs/dbraw/zinc/25/51/20/346255120.db2.gz XNEQMYXRXODXGK-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000381527675 346254954 /nfs/dbraw/zinc/25/49/54/346254954.db2.gz XNEQMYXRXODXGK-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CS1 ZINC000381527960 346255605 /nfs/dbraw/zinc/25/56/05/346255605.db2.gz XQFBZVWXOVYRQJ-FQUUOJAGSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)CS1 ZINC000381527961 346255663 /nfs/dbraw/zinc/25/56/63/346255663.db2.gz XQFBZVWXOVYRQJ-RFGFWPKPSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CS1 ZINC000381527962 346255850 /nfs/dbraw/zinc/25/58/50/346255850.db2.gz XQFBZVWXOVYRQJ-RQJABVFESA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CS1 ZINC000381527963 346255755 /nfs/dbraw/zinc/25/57/55/346255755.db2.gz XQFBZVWXOVYRQJ-XUXIUFHCSA-N 1 0 241.444 3.685 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000381528250 346257956 /nfs/dbraw/zinc/25/79/56/346257956.db2.gz XUAFZLAYMIEORU-BFHYXJOUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000381528251 346257916 /nfs/dbraw/zinc/25/79/16/346257916.db2.gz XUAFZLAYMIEORU-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000381528252 346258096 /nfs/dbraw/zinc/25/80/96/346258096.db2.gz XUAFZLAYMIEORU-MELADBBJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000381528253 346258132 /nfs/dbraw/zinc/25/81/32/346258132.db2.gz XUAFZLAYMIEORU-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)[C@H]1C ZINC000381528708 367424373 /nfs/dbraw/zinc/42/43/73/367424373.db2.gz XYCYOFLDTHPVMU-AGIUHOORSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)[C@H]1C ZINC000381528709 367424340 /nfs/dbraw/zinc/42/43/40/367424340.db2.gz XYCYOFLDTHPVMU-FRRDWIJNSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)[C@@H]1C ZINC000381528710 367424596 /nfs/dbraw/zinc/42/45/96/367424596.db2.gz XYCYOFLDTHPVMU-JHJVBQTASA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)[C@@H]1C ZINC000381528711 367424602 /nfs/dbraw/zinc/42/46/02/367424602.db2.gz XYCYOFLDTHPVMU-UPJWGTAASA-N 1 0 227.367 3.683 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381530065 367425810 /nfs/dbraw/zinc/42/58/10/367425810.db2.gz PDLOPFWGWNVYLV-PPWQZUPISA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381530067 367425462 /nfs/dbraw/zinc/42/54/62/367425462.db2.gz PDLOPFWGWNVYLV-URGYJCLVSA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381530070 367425429 /nfs/dbraw/zinc/42/54/29/367425429.db2.gz PDLOPFWGWNVYLV-VXGQWTEUSA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381530071 367425422 /nfs/dbraw/zinc/42/54/22/367425422.db2.gz PDLOPFWGWNVYLV-XSCHDIRWSA-N 1 0 247.382 3.892 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000381530514 539003302 /nfs/dbraw/zinc/00/33/02/539003302.db2.gz YUTVOIPKKLXIOS-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000381530522 539003282 /nfs/dbraw/zinc/00/32/82/539003282.db2.gz YUTVOIPKKLXIOS-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000381530524 539003123 /nfs/dbraw/zinc/00/31/23/539003123.db2.gz YUTVOIPKKLXIOS-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000381530526 539003280 /nfs/dbraw/zinc/00/32/80/539003280.db2.gz YUTVOIPKKLXIOS-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000381530961 346265510 /nfs/dbraw/zinc/26/55/10/346265510.db2.gz YZXAHBKUMZFMPC-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000381530962 346265566 /nfs/dbraw/zinc/26/55/66/346265566.db2.gz YZXAHBKUMZFMPC-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H](F)C2)CCCCCC1 ZINC000381530970 346265407 /nfs/dbraw/zinc/26/54/07/346265407.db2.gz ZAHGJDQYHCWMBM-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H](F)C2)CCCCCC1 ZINC000381530971 346265268 /nfs/dbraw/zinc/26/52/68/346265268.db2.gz ZAHGJDQYHCWMBM-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H](F)C2)CCCCCC1 ZINC000381530972 346265215 /nfs/dbraw/zinc/26/52/15/346265215.db2.gz ZAHGJDQYHCWMBM-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H](F)C2)CCCCCC1 ZINC000381530973 346265306 /nfs/dbraw/zinc/26/53/06/346265306.db2.gz ZAHGJDQYHCWMBM-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000381531318 346266405 /nfs/dbraw/zinc/26/64/05/346266405.db2.gz ZDUHYCLNXBCTBB-GHMZBOCLSA-N 1 0 239.325 3.988 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000381531319 346266111 /nfs/dbraw/zinc/26/61/11/346266111.db2.gz ZDUHYCLNXBCTBB-MNOVXSKESA-N 1 0 239.325 3.988 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000381531320 346266279 /nfs/dbraw/zinc/26/62/79/346266279.db2.gz ZDUHYCLNXBCTBB-QWRGUYRKSA-N 1 0 239.325 3.988 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000381531321 346266386 /nfs/dbraw/zinc/26/63/86/346266386.db2.gz ZDUHYCLNXBCTBB-WDEREUQCSA-N 1 0 239.325 3.988 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000381531342 346266409 /nfs/dbraw/zinc/26/64/09/346266409.db2.gz ZEOPQQMETNHGCK-BNOWGMLFSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000381531343 346266320 /nfs/dbraw/zinc/26/63/20/346266320.db2.gz ZEOPQQMETNHGCK-KWCYVHTRSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000381531344 346265929 /nfs/dbraw/zinc/26/59/29/346265929.db2.gz ZEOPQQMETNHGCK-MRVWCRGKSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000381531345 346266361 /nfs/dbraw/zinc/26/63/61/346266361.db2.gz ZEOPQQMETNHGCK-XBFCOCLRSA-N 1 0 237.412 3.703 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C(C)C)cs1 ZINC000381531387 367425472 /nfs/dbraw/zinc/42/54/72/367425472.db2.gz ASQRUOZZMJGAHJ-CMPLNLGQSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C(C)C)cs1 ZINC000381531388 367425866 /nfs/dbraw/zinc/42/58/66/367425866.db2.gz ASQRUOZZMJGAHJ-JQWIXIFHSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C(C)C)cs1 ZINC000381531389 367426025 /nfs/dbraw/zinc/42/60/25/367426025.db2.gz ASQRUOZZMJGAHJ-PWSUYJOCSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)cs1 ZINC000381531390 367425942 /nfs/dbraw/zinc/42/59/42/367425942.db2.gz ASQRUOZZMJGAHJ-ZYHUDNBSSA-N 1 0 225.401 3.999 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000381531600 539003122 /nfs/dbraw/zinc/00/31/22/539003122.db2.gz ZICVLUSSQDOCPK-CABCVRRESA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000381531601 539003249 /nfs/dbraw/zinc/00/32/49/539003249.db2.gz ZICVLUSSQDOCPK-GJZGRUSLSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000381531602 539003035 /nfs/dbraw/zinc/00/30/35/539003035.db2.gz ZICVLUSSQDOCPK-HUUCEWRRSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000381531603 539003478 /nfs/dbraw/zinc/00/34/78/539003478.db2.gz ZICVLUSSQDOCPK-LSDHHAIUSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC2CC2)cs1 ZINC000381533126 357380779 /nfs/dbraw/zinc/38/07/79/357380779.db2.gz BFHXYEVPDWPAJX-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC2CC2)cs1 ZINC000381533128 367426141 /nfs/dbraw/zinc/42/61/41/367426141.db2.gz BFHXYEVPDWPAJX-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000381533162 367426204 /nfs/dbraw/zinc/42/62/04/367426204.db2.gz DBPGLMKIAKFCQO-RFGFWPKPSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000381533164 367425675 /nfs/dbraw/zinc/42/56/75/367425675.db2.gz DBPGLMKIAKFCQO-RQJABVFESA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000381533166 367425903 /nfs/dbraw/zinc/42/59/03/367425903.db2.gz DBPGLMKIAKFCQO-XJFOESAGSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000381533168 367425997 /nfs/dbraw/zinc/42/59/97/367425997.db2.gz DBPGLMKIAKFCQO-ZOBORPQBSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C1CCSCC1 ZINC000381533913 346281784 /nfs/dbraw/zinc/28/17/84/346281784.db2.gz DLGVGNHVCFZECH-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000381534689 346285232 /nfs/dbraw/zinc/28/52/32/346285232.db2.gz GIVCNYDJQZOOGC-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000381534690 346284898 /nfs/dbraw/zinc/28/48/98/346284898.db2.gz GIVCNYDJQZOOGC-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CC[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000381534838 367425969 /nfs/dbraw/zinc/42/59/69/367425969.db2.gz DYDYOVIWBGDPQO-JTQLQIEISA-N 1 0 243.753 3.800 20 0 BHADRO CC[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000381534839 367426120 /nfs/dbraw/zinc/42/61/20/367426120.db2.gz DYDYOVIWBGDPQO-SNVBAGLBSA-N 1 0 243.753 3.800 20 0 BHADRO CCSc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000381535969 346291293 /nfs/dbraw/zinc/29/12/93/346291293.db2.gz FLSJGXKOABZMLC-UHFFFAOYSA-N 1 0 237.412 3.934 20 0 BHADRO CC(C)C1(C[NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000381536631 398262676 /nfs/dbraw/zinc/26/26/76/398262676.db2.gz BZYLTWMCJUEEEG-GFCCVEGCSA-N 1 0 245.357 3.838 20 0 BHADRO CC(C)C1(C[NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000381536632 398262652 /nfs/dbraw/zinc/26/26/52/398262652.db2.gz BZYLTWMCJUEEEG-LBPRGKRZSA-N 1 0 245.357 3.838 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCCC2(F)F)CCCC1 ZINC000381536992 710652178 /nfs/dbraw/zinc/65/21/78/710652178.db2.gz CAOKBEPCLLNMBZ-GFCCVEGCSA-N 1 0 245.357 3.982 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCCC2(F)F)CCCC1 ZINC000381536993 710652197 /nfs/dbraw/zinc/65/21/97/710652197.db2.gz CAOKBEPCLLNMBZ-LBPRGKRZSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000381536999 367427671 /nfs/dbraw/zinc/42/76/71/367427671.db2.gz CBAPUSOFCDPTDR-CYBMUJFWSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000381537000 367427378 /nfs/dbraw/zinc/42/73/78/367427378.db2.gz CBAPUSOFCDPTDR-ZDUSSCGKSA-N 1 0 245.357 3.982 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCOC(C)(C)C ZINC000381537645 346294258 /nfs/dbraw/zinc/29/42/58/346294258.db2.gz GJBAVMRZWJEGEY-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCOC(C)(C)C ZINC000381537646 346294450 /nfs/dbraw/zinc/29/44/50/346294450.db2.gz GJBAVMRZWJEGEY-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCOC(C)(C)C ZINC000381537647 346294440 /nfs/dbraw/zinc/29/44/40/346294440.db2.gz GJBAVMRZWJEGEY-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCOC(C)(C)C ZINC000381537648 346294116 /nfs/dbraw/zinc/29/41/16/346294116.db2.gz GJBAVMRZWJEGEY-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCC[C@@H]2C2CC2)CCC1 ZINC000381538186 346297777 /nfs/dbraw/zinc/29/77/77/346297777.db2.gz HLKHAOVBQOWEIG-CABCVRRESA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCC[C@H]2C2CC2)CCC1 ZINC000381538187 346297857 /nfs/dbraw/zinc/29/78/57/346297857.db2.gz HLKHAOVBQOWEIG-GJZGRUSLSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)CCC1 ZINC000381538188 346297608 /nfs/dbraw/zinc/29/76/08/346297608.db2.gz HLKHAOVBQOWEIG-HUUCEWRRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCC[C@H]2C2CC2)CCC1 ZINC000381538189 346297638 /nfs/dbraw/zinc/29/76/38/346297638.db2.gz HLKHAOVBQOWEIG-LSDHHAIUSA-N 1 0 219.372 3.655 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000381538727 398262506 /nfs/dbraw/zinc/26/25/06/398262506.db2.gz RGZPHVJMFVVROF-USPMSXPRSA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000381538728 398262781 /nfs/dbraw/zinc/26/27/81/398262781.db2.gz RGZPHVJMFVVROF-UWLZSVRSSA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000381538730 398262473 /nfs/dbraw/zinc/26/24/73/398262473.db2.gz RGZPHVJMFVVROF-WLIAPVHPSA-N 1 0 247.382 3.892 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000381538732 398262672 /nfs/dbraw/zinc/26/26/72/398262672.db2.gz RGZPHVJMFVVROF-WOICTCIZSA-N 1 0 247.382 3.892 20 0 BHADRO CCCC[C@@H]([NH2+]CCC(F)(F)F)C1CCC1 ZINC000381538986 367427888 /nfs/dbraw/zinc/42/78/88/367427888.db2.gz GXGBAHFORTZNLU-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CCCC[C@H]([NH2+]CCC(F)(F)F)C1CCC1 ZINC000381538988 367427732 /nfs/dbraw/zinc/42/77/32/367427732.db2.gz GXGBAHFORTZNLU-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000381540171 346301021 /nfs/dbraw/zinc/30/10/21/346301021.db2.gz HIXXMQKUVVPDLR-GFCCVEGCSA-N 1 0 237.412 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000381540173 346301050 /nfs/dbraw/zinc/30/10/50/346301050.db2.gz HIXXMQKUVVPDLR-LBPRGKRZSA-N 1 0 237.412 3.767 20 0 BHADRO CCCCCC[NH2+][C@@H](CC)c1ccncc1 ZINC000381540197 712396106 /nfs/dbraw/zinc/39/61/06/712396106.db2.gz HJOCZCSTNJZGOA-AWEZNQCLSA-N 1 0 220.360 3.703 20 0 BHADRO CCCCCC[NH2+][C@H](CC)c1ccncc1 ZINC000381540198 710653097 /nfs/dbraw/zinc/65/30/97/710653097.db2.gz HJOCZCSTNJZGOA-CQSZACIVSA-N 1 0 220.360 3.703 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000381540224 367427480 /nfs/dbraw/zinc/42/74/80/367427480.db2.gz CWFXIDHUEDACGE-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000381540228 367427777 /nfs/dbraw/zinc/42/77/77/367427777.db2.gz CWFXIDHUEDACGE-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000381540232 367427196 /nfs/dbraw/zinc/42/71/96/367427196.db2.gz CWFXIDHUEDACGE-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000381540238 346301042 /nfs/dbraw/zinc/30/10/42/346301042.db2.gz CWFXIDHUEDACGE-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000381540510 710652547 /nfs/dbraw/zinc/65/25/47/710652547.db2.gz HPLHGIOGHWDNOH-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000381540511 710652726 /nfs/dbraw/zinc/65/27/26/710652726.db2.gz HPLHGIOGHWDNOH-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000381540513 710652961 /nfs/dbraw/zinc/65/29/61/710652961.db2.gz HPLHGIOGHWDNOH-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000381540514 710652736 /nfs/dbraw/zinc/65/27/36/710652736.db2.gz HPLHGIOGHWDNOH-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381541284 367427723 /nfs/dbraw/zinc/42/77/23/367427723.db2.gz DBIMTPFZCGXAAF-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381541285 367427244 /nfs/dbraw/zinc/42/72/44/367427244.db2.gz DBIMTPFZCGXAAF-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381541286 367427780 /nfs/dbraw/zinc/42/77/80/367427780.db2.gz DBIMTPFZCGXAAF-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381541287 367427413 /nfs/dbraw/zinc/42/74/13/367427413.db2.gz DBIMTPFZCGXAAF-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(CC)[NH2+]C/C(C)=C/c1ccccc1 ZINC000381541788 357436945 /nfs/dbraw/zinc/43/69/45/357436945.db2.gz IFPQEWMNOKBVQN-ACCUITESSA-N 1 0 217.356 3.868 20 0 BHADRO CCC(CC)[NH2+]C/C(C)=C\c1ccccc1 ZINC000381541789 357437789 /nfs/dbraw/zinc/43/77/89/357437789.db2.gz IFPQEWMNOKBVQN-QBFSEMIESA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000381542288 367427128 /nfs/dbraw/zinc/42/71/28/367427128.db2.gz IMYOCGZIPIPXMS-REBRKWNGSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000381542289 367427297 /nfs/dbraw/zinc/42/72/97/367427297.db2.gz IMYOCGZIPIPXMS-RZFFKMDDSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000381542291 367427622 /nfs/dbraw/zinc/42/76/22/367427622.db2.gz IMYOCGZIPIPXMS-UNQGMJICSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000381542292 367427689 /nfs/dbraw/zinc/42/76/89/367427689.db2.gz IMYOCGZIPIPXMS-UQOMUDLDSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000381543068 346314238 /nfs/dbraw/zinc/31/42/38/346314238.db2.gz IWOTWIKNUXSPQZ-CMPLNLGQSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000381543069 346314352 /nfs/dbraw/zinc/31/43/52/346314352.db2.gz IWOTWIKNUXSPQZ-JQWIXIFHSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000381543070 346314215 /nfs/dbraw/zinc/31/42/15/346314215.db2.gz IWOTWIKNUXSPQZ-PWSUYJOCSA-N 1 0 227.298 3.533 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000381543071 346314463 /nfs/dbraw/zinc/31/44/63/346314463.db2.gz IWOTWIKNUXSPQZ-ZYHUDNBSSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)cs1 ZINC000381543388 346313439 /nfs/dbraw/zinc/31/34/39/346313439.db2.gz DNHNMUOKCPHACI-CDMKHQONSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)cs1 ZINC000381543392 346313372 /nfs/dbraw/zinc/31/33/72/346313372.db2.gz DNHNMUOKCPHACI-GAFUQQFSSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)cs1 ZINC000381543395 346313456 /nfs/dbraw/zinc/31/34/56/346313456.db2.gz DNHNMUOKCPHACI-SUZMYJTESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)cs1 ZINC000381543396 346313786 /nfs/dbraw/zinc/31/37/86/346313786.db2.gz DNHNMUOKCPHACI-XHVZSJERSA-N 1 0 223.385 3.896 20 0 BHADRO FC1(F)CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000381543735 539003708 /nfs/dbraw/zinc/00/37/08/539003708.db2.gz JSNGFGJAPQLLPB-JTQLQIEISA-N 1 0 245.700 3.617 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000381543736 582902125 /nfs/dbraw/zinc/90/21/25/582902125.db2.gz JSNGFGJAPQLLPB-SNVBAGLBSA-N 1 0 245.700 3.617 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000381543939 346316537 /nfs/dbraw/zinc/31/65/37/346316537.db2.gz JHPHPOGBUPAMLC-JOCQHMNTSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381544957 346318760 /nfs/dbraw/zinc/31/87/60/346318760.db2.gz SPCCPJIYPGXUQK-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381544959 346318812 /nfs/dbraw/zinc/31/88/12/346318812.db2.gz SPCCPJIYPGXUQK-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381544961 346318806 /nfs/dbraw/zinc/31/88/06/346318806.db2.gz SPCCPJIYPGXUQK-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381544965 346318691 /nfs/dbraw/zinc/31/86/91/346318691.db2.gz SPCCPJIYPGXUQK-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000381545141 385308729 /nfs/dbraw/zinc/30/87/29/385308729.db2.gz DYVIFUZSIXIEBS-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000381545142 385307288 /nfs/dbraw/zinc/30/72/88/385307288.db2.gz DYVIFUZSIXIEBS-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)C(C)C)cc1 ZINC000381545227 385307072 /nfs/dbraw/zinc/30/70/72/385307072.db2.gz JYLMJVVAOPKSCF-GFCCVEGCSA-N 1 0 237.412 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H](C)C(C)C)cc1 ZINC000381545228 346319523 /nfs/dbraw/zinc/31/95/23/346319523.db2.gz JYLMJVVAOPKSCF-LBPRGKRZSA-N 1 0 237.412 3.585 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)C(C)C ZINC000381547130 710654738 /nfs/dbraw/zinc/65/47/38/710654738.db2.gz KWXNSHGKAACHQL-GFCCVEGCSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)C(C)C ZINC000381547131 710654683 /nfs/dbraw/zinc/65/46/83/710654683.db2.gz KWXNSHGKAACHQL-LBPRGKRZSA-N 1 0 240.778 3.568 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000381547272 367428602 /nfs/dbraw/zinc/42/86/02/367428602.db2.gz KZHFMFYUQCTLHN-DNOWBOINSA-N 1 0 217.356 3.834 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000381547273 367428239 /nfs/dbraw/zinc/42/82/39/367428239.db2.gz KZHFMFYUQCTLHN-OPFPJEHXSA-N 1 0 217.356 3.834 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000381547685 710655036 /nfs/dbraw/zinc/65/50/36/710655036.db2.gz LDLXZXBTILAZSV-BZTHDZJNSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000381547687 710654808 /nfs/dbraw/zinc/65/48/08/710654808.db2.gz LDLXZXBTILAZSV-NNZPWHBESA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000381547689 710655074 /nfs/dbraw/zinc/65/50/74/710655074.db2.gz LDLXZXBTILAZSV-RUOPDXTDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000381547691 710654872 /nfs/dbraw/zinc/65/48/72/710654872.db2.gz LDLXZXBTILAZSV-UWMJVVDFSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381548672 367428414 /nfs/dbraw/zinc/42/84/14/367428414.db2.gz FOKWITUJQWDSQJ-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381548678 367428715 /nfs/dbraw/zinc/42/87/15/367428715.db2.gz FOKWITUJQWDSQJ-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381548679 367428761 /nfs/dbraw/zinc/42/87/61/367428761.db2.gz FOKWITUJQWDSQJ-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381548681 367428850 /nfs/dbraw/zinc/42/88/50/367428850.db2.gz FOKWITUJQWDSQJ-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000381548684 367428844 /nfs/dbraw/zinc/42/88/44/367428844.db2.gz FOMCOCVPEQBYOC-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000381548686 367428824 /nfs/dbraw/zinc/42/88/24/367428824.db2.gz FOMCOCVPEQBYOC-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381548689 346324817 /nfs/dbraw/zinc/32/48/17/346324817.db2.gz FOMCOCVPEQBYOC-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381548690 346324744 /nfs/dbraw/zinc/32/47/44/346324744.db2.gz FOMCOCVPEQBYOC-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1CC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000381548841 346325630 /nfs/dbraw/zinc/32/56/30/346325630.db2.gz LQSZCKQLKTUDQE-KSDPFWLUSA-N 1 0 221.388 3.733 20 0 BHADRO CCC1CC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000381548842 346325489 /nfs/dbraw/zinc/32/54/89/346325489.db2.gz LQSZCKQLKTUDQE-PEGGXJLSSA-N 1 0 221.388 3.733 20 0 BHADRO CCC1CC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000381548843 346325439 /nfs/dbraw/zinc/32/54/39/346325439.db2.gz LQSZCKQLKTUDQE-QFSHSQKFSA-N 1 0 221.388 3.733 20 0 BHADRO CCC1CC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000381548844 346325563 /nfs/dbraw/zinc/32/55/63/346325563.db2.gz LQSZCKQLKTUDQE-VSSFCTHRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCC2(F)F)CCCC1 ZINC000381549746 710653720 /nfs/dbraw/zinc/65/37/20/710653720.db2.gz UJXWDBLYJWTNAT-LLVKDONJSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCC2(F)F)CCCC1 ZINC000381549756 711669901 /nfs/dbraw/zinc/66/99/01/711669901.db2.gz UJXWDBLYJWTNAT-NSHDSACASA-N 1 0 231.330 3.592 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000381549766 367428517 /nfs/dbraw/zinc/42/85/17/367428517.db2.gz MDQJKKDBFOGFCB-DMOGRIERSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000381549776 346330811 /nfs/dbraw/zinc/33/08/11/346330811.db2.gz MDQJKKDBFOGFCB-JYBOHDQNSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000381549778 346330493 /nfs/dbraw/zinc/33/04/93/346330493.db2.gz MDQJKKDBFOGFCB-QKEWWQLBSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000381549779 346330787 /nfs/dbraw/zinc/33/07/87/346330787.db2.gz MDQJKKDBFOGFCB-QYNFOATHSA-N 1 0 233.346 3.835 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]C[C@@H]1CCSC1 ZINC000381549795 367428577 /nfs/dbraw/zinc/42/85/77/367428577.db2.gz MEAUHBSUMHRSIH-KBPBESRZSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]C[C@@H]1CCSC1 ZINC000381549796 367428896 /nfs/dbraw/zinc/42/88/96/367428896.db2.gz MEAUHBSUMHRSIH-KGLIPLIRSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]C[C@H]1CCSC1 ZINC000381549797 367428463 /nfs/dbraw/zinc/42/84/63/367428463.db2.gz MEAUHBSUMHRSIH-UONOGXRCSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]C[C@H]1CCSC1 ZINC000381549798 367428906 /nfs/dbraw/zinc/42/89/06/367428906.db2.gz MEAUHBSUMHRSIH-ZIAGYGMSSA-N 1 0 243.460 3.936 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381550177 346330292 /nfs/dbraw/zinc/33/02/92/346330292.db2.gz MKDZGLXCINYLRX-GWCFXTLKSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381550178 346330750 /nfs/dbraw/zinc/33/07/50/346330750.db2.gz MKDZGLXCINYLRX-GXFFZTMASA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381550180 346330655 /nfs/dbraw/zinc/33/06/55/346330655.db2.gz MKDZGLXCINYLRX-MFKMUULPSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381550182 346330690 /nfs/dbraw/zinc/33/06/90/346330690.db2.gz MKDZGLXCINYLRX-ZWNOBZJWSA-N 1 0 241.737 3.757 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)OCC ZINC000381551089 367428792 /nfs/dbraw/zinc/42/87/92/367428792.db2.gz MSYAYSOSBBGOBW-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)OCC ZINC000381551091 367428469 /nfs/dbraw/zinc/42/84/69/367428469.db2.gz MSYAYSOSBBGOBW-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)OCC ZINC000381551092 367428911 /nfs/dbraw/zinc/42/89/11/367428911.db2.gz MSYAYSOSBBGOBW-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)OCC ZINC000381551096 367428812 /nfs/dbraw/zinc/42/88/12/367428812.db2.gz MSYAYSOSBBGOBW-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000381553163 710653540 /nfs/dbraw/zinc/65/35/40/710653540.db2.gz NNFNYFIUEWYSNM-UHFFFAOYSA-N 1 0 240.778 3.712 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000381554790 346339746 /nfs/dbraw/zinc/33/97/46/346339746.db2.gz OGURCXRUWNUKPU-UHFFFAOYSA-N 1 0 235.758 3.681 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccco1)C1CCC1 ZINC000381555764 346341833 /nfs/dbraw/zinc/34/18/33/346341833.db2.gz OWIUSYKTAKNZEY-AWEZNQCLSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccco1)C1CCC1 ZINC000381555765 346341344 /nfs/dbraw/zinc/34/13/44/346341344.db2.gz OWIUSYKTAKNZEY-CQSZACIVSA-N 1 0 221.344 3.728 20 0 BHADRO CCCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000381556715 367430217 /nfs/dbraw/zinc/43/02/17/367430217.db2.gz PIQFIJUKEBSIGM-HNNXBMFYSA-N 1 0 219.372 3.643 20 0 BHADRO CCCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000381556721 367430300 /nfs/dbraw/zinc/43/03/00/367430300.db2.gz PIQFIJUKEBSIGM-OAHLLOKOSA-N 1 0 219.372 3.643 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000381559039 346349222 /nfs/dbraw/zinc/34/92/22/346349222.db2.gz QJKPYNGNWBIONV-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000381559040 346349273 /nfs/dbraw/zinc/34/92/73/346349273.db2.gz QJKPYNGNWBIONV-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000381559042 346349328 /nfs/dbraw/zinc/34/93/28/346349328.db2.gz QJKPYNGNWBIONV-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000381559043 346349349 /nfs/dbraw/zinc/34/93/49/346349349.db2.gz QJKPYNGNWBIONV-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)COC(C)C ZINC000381559095 346349392 /nfs/dbraw/zinc/34/93/92/346349392.db2.gz QLJSGRLPMRQKCI-KBPBESRZSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)COC(C)C ZINC000381559097 346348560 /nfs/dbraw/zinc/34/85/60/346348560.db2.gz QLJSGRLPMRQKCI-KGLIPLIRSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)COC(C)C ZINC000381559098 346348828 /nfs/dbraw/zinc/34/88/28/346348828.db2.gz QLJSGRLPMRQKCI-UONOGXRCSA-N 1 0 229.408 3.748 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)COC(C)C ZINC000381559099 346348529 /nfs/dbraw/zinc/34/85/29/346348529.db2.gz QLJSGRLPMRQKCI-ZIAGYGMSSA-N 1 0 229.408 3.748 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CC3)CC2)ccc1Cl ZINC000381559657 346350025 /nfs/dbraw/zinc/35/00/25/346350025.db2.gz QQHNZPXDQPUDLC-UHFFFAOYSA-N 1 0 235.758 3.681 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1csc(C)c1 ZINC000381559973 367431098 /nfs/dbraw/zinc/43/10/98/367431098.db2.gz GVZYAQYJQDNQNC-UHFFFAOYSA-N 1 0 211.374 3.725 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000381560383 539003813 /nfs/dbraw/zinc/00/38/13/539003813.db2.gz QXLFROXECZINQR-BYCMXARLSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000381560384 539003886 /nfs/dbraw/zinc/00/38/86/539003886.db2.gz QXLFROXECZINQR-DFBGVHRSSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000381560388 539003665 /nfs/dbraw/zinc/00/36/65/539003665.db2.gz QXLFROXECZINQR-KCPJHIHWSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000381560389 539003647 /nfs/dbraw/zinc/00/36/47/539003647.db2.gz QXLFROXECZINQR-UGFHNGPFSA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)C1CCCCC1 ZINC000381560511 344521558 /nfs/dbraw/zinc/52/15/58/344521558.db2.gz RAZIWGAJBMETTM-BFHYXJOUSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)C1CCCCC1 ZINC000381560512 344521413 /nfs/dbraw/zinc/52/14/13/344521413.db2.gz RAZIWGAJBMETTM-IHRRRGAJSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1SC)C1CCCCC1 ZINC000381560804 344521345 /nfs/dbraw/zinc/52/13/45/344521345.db2.gz RAZIWGAJBMETTM-MELADBBJSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C1CCCCC1 ZINC000381560805 344521336 /nfs/dbraw/zinc/52/13/36/344521336.db2.gz RAZIWGAJBMETTM-MJBXVCDLSA-N 1 0 241.444 3.829 20 0 BHADRO CCSc1cccc(C[NH2+]C2CC=CC2)c1 ZINC000381560853 539003900 /nfs/dbraw/zinc/00/39/00/539003900.db2.gz RCNGYHIOZQBQJK-UHFFFAOYSA-N 1 0 233.380 3.607 20 0 BHADRO CCC(CC)[NH2+][C@@H]1COc2cccc(Cl)c21 ZINC000381561942 367430945 /nfs/dbraw/zinc/43/09/45/367430945.db2.gz RPRNPKGDFJAXRD-LLVKDONJSA-N 1 0 239.746 3.552 20 0 BHADRO CCC(CC)[NH2+][C@H]1COc2cccc(Cl)c21 ZINC000381561945 367430717 /nfs/dbraw/zinc/43/07/17/367430717.db2.gz RPRNPKGDFJAXRD-NSHDSACASA-N 1 0 239.746 3.552 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCC2)cs1 ZINC000381563555 398264251 /nfs/dbraw/zinc/26/42/51/398264251.db2.gz IINLDHNQXOKWPE-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CCC2)cs1 ZINC000381563560 398264196 /nfs/dbraw/zinc/26/41/96/398264196.db2.gz IINLDHNQXOKWPE-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCC2)cs1 ZINC000381563566 398264259 /nfs/dbraw/zinc/26/42/59/398264259.db2.gz IINLDHNQXOKWPE-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cs1 ZINC000381563569 398264090 /nfs/dbraw/zinc/26/40/90/398264090.db2.gz IINLDHNQXOKWPE-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000381564062 346357178 /nfs/dbraw/zinc/35/71/78/346357178.db2.gz SLRPGDIGOPVRHF-MPKXVKKWSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000381564065 346357676 /nfs/dbraw/zinc/35/76/76/346357676.db2.gz SLRPGDIGOPVRHF-OSMZGAPFSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000381564066 346357289 /nfs/dbraw/zinc/35/72/89/346357289.db2.gz SLRPGDIGOPVRHF-QKCSRTOESA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000381564067 357504079 /nfs/dbraw/zinc/50/40/79/357504079.db2.gz SLRPGDIGOPVRHF-SCDSUCTJSA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000381564987 539003614 /nfs/dbraw/zinc/00/36/14/539003614.db2.gz RYMFMOGEOPFVQC-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000381564988 539003592 /nfs/dbraw/zinc/00/35/92/539003592.db2.gz RYMFMOGEOPFVQC-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO CCCC1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000381565257 357506374 /nfs/dbraw/zinc/50/63/74/357506374.db2.gz TWSSOFVNGTXDHD-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)C(F)(F)F)CC1 ZINC000381565438 346361264 /nfs/dbraw/zinc/36/12/64/346361264.db2.gz TYLZLPILCAKWLN-KPPDAEKUSA-N 1 0 237.309 3.743 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)C(F)(F)F)CC1 ZINC000381565439 346361281 /nfs/dbraw/zinc/36/12/81/346361281.db2.gz TYLZLPILCAKWLN-WHXUTIOJSA-N 1 0 237.309 3.743 20 0 BHADRO CCC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC000381566087 346363337 /nfs/dbraw/zinc/36/33/37/346363337.db2.gz UIZZYWDNECROHC-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000381566136 344520317 /nfs/dbraw/zinc/52/03/17/344520317.db2.gz UMXRNBHKDSUUHW-UHFFFAOYSA-N 1 0 221.319 3.595 20 0 BHADRO CCCCCC[NH2+]CC1(OC)CCCCC1 ZINC000381566750 710657036 /nfs/dbraw/zinc/65/70/36/710657036.db2.gz UXIHJHIJSNCCSG-UHFFFAOYSA-N 1 0 227.392 3.506 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000381566763 346365908 /nfs/dbraw/zinc/36/59/08/346365908.db2.gz UXWQBQAGIFBBEI-GMXVVIOVSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000381566764 346365706 /nfs/dbraw/zinc/36/57/06/346365706.db2.gz UXWQBQAGIFBBEI-GVXVVHGQSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000381566765 346365851 /nfs/dbraw/zinc/36/58/51/346365851.db2.gz UXWQBQAGIFBBEI-MDZLAQPJSA-N 1 0 235.396 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000381566766 346366029 /nfs/dbraw/zinc/36/60/29/346366029.db2.gz UXWQBQAGIFBBEI-NTZNESFSSA-N 1 0 235.396 3.858 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)s1 ZINC000381567741 539004209 /nfs/dbraw/zinc/00/42/09/539004209.db2.gz UEFXHLATUQKZOF-SECBINFHSA-N 1 0 245.338 3.588 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)s1 ZINC000381567742 539003928 /nfs/dbraw/zinc/00/39/28/539003928.db2.gz UEFXHLATUQKZOF-VIFPVBQESA-N 1 0 245.338 3.588 20 0 BHADRO CCCCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000381567941 367430898 /nfs/dbraw/zinc/43/08/98/367430898.db2.gz VMGZQMFWTDTDTQ-UHFFFAOYSA-N 1 0 221.319 3.595 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C(C)(C)C)o1 ZINC000381570243 346371605 /nfs/dbraw/zinc/37/16/05/346371605.db2.gz VOKJBWWYVTWMED-UHFFFAOYSA-N 1 0 223.360 3.756 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381570507 367431142 /nfs/dbraw/zinc/43/11/42/367431142.db2.gz WWZAGTFAEJHLOF-YNEHKIRRSA-N 1 0 223.404 3.837 20 0 BHADRO CC[C@H](C[NH2+]C(C)(C)CF)c1ccccc1 ZINC000381570556 346372635 /nfs/dbraw/zinc/37/26/35/346372635.db2.gz WXTONAIPKUWROW-GFCCVEGCSA-N 1 0 223.335 3.518 20 0 BHADRO CC[C@@H](C[NH2+]C(C)(C)CF)c1ccccc1 ZINC000381570557 346372595 /nfs/dbraw/zinc/37/25/95/346372595.db2.gz WXTONAIPKUWROW-LBPRGKRZSA-N 1 0 223.335 3.518 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000381571412 710656000 /nfs/dbraw/zinc/65/60/00/710656000.db2.gz XJWCRPRJZXVIFR-CLRIEMFWSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000381571414 710655866 /nfs/dbraw/zinc/65/58/66/710655866.db2.gz XJWCRPRJZXVIFR-HOAMVYINSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000381571416 710655759 /nfs/dbraw/zinc/65/57/59/710655759.db2.gz XJWCRPRJZXVIFR-NWINJMCUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000381571418 710655905 /nfs/dbraw/zinc/65/59/05/710655905.db2.gz XJWCRPRJZXVIFR-PQAZSJQKSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000381571711 367430516 /nfs/dbraw/zinc/43/05/16/367430516.db2.gz XMTJJBXLSJIRPN-PWSUYJOCSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000381571712 367431386 /nfs/dbraw/zinc/43/13/86/367431386.db2.gz XMTJJBXLSJIRPN-ZYHUDNBSSA-N 1 0 241.375 3.807 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccccc1F ZINC000381572120 346374016 /nfs/dbraw/zinc/37/40/16/346374016.db2.gz WJVGATXARFESIK-UHFFFAOYSA-N 1 0 223.335 3.740 20 0 BHADRO CCCC1(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000381572403 346373654 /nfs/dbraw/zinc/37/36/54/346373654.db2.gz XYAHOEATWWERCW-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1(C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000381572404 346373867 /nfs/dbraw/zinc/37/38/67/346373867.db2.gz XYAHOEATWWERCW-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000381572408 346373979 /nfs/dbraw/zinc/37/39/79/346373979.db2.gz XYAHOEATWWERCW-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000381572410 346373839 /nfs/dbraw/zinc/37/38/39/346373839.db2.gz XYAHOEATWWERCW-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(CC)[NH2+]CC[C@H]1CCCCO1 ZINC000381572466 346373824 /nfs/dbraw/zinc/37/38/24/346373824.db2.gz YBBUWYKJVNRDOF-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCC(CC)(CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000381572467 346373976 /nfs/dbraw/zinc/37/39/76/346373976.db2.gz YBBUWYKJVNRDOF-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381573191 710656422 /nfs/dbraw/zinc/65/64/22/710656422.db2.gz YMZAKLNSLBCJRE-BPCQOVAHSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381573192 710655674 /nfs/dbraw/zinc/65/56/74/710655674.db2.gz YMZAKLNSLBCJRE-WXRRBKDZSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000381573647 346375228 /nfs/dbraw/zinc/37/52/28/346375228.db2.gz YSIIAOJQXKGYMP-NOZJJQNGSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000381573648 346375202 /nfs/dbraw/zinc/37/52/02/346375202.db2.gz YSIIAOJQXKGYMP-RNCFNFMXSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000381573650 346375177 /nfs/dbraw/zinc/37/51/77/346375177.db2.gz YSIIAOJQXKGYMP-TVQRCGJNSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000381573652 346375311 /nfs/dbraw/zinc/37/53/11/346375311.db2.gz YSIIAOJQXKGYMP-ZANVPECISA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000381574132 539003905 /nfs/dbraw/zinc/00/39/05/539003905.db2.gz XOBBXQOKYIXFEY-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000381574133 538111204 /nfs/dbraw/zinc/11/12/04/538111204.db2.gz XOBBXQOKYIXFEY-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000381574134 539004210 /nfs/dbraw/zinc/00/42/10/539004210.db2.gz XOBBXQOKYIXFEY-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000381574135 539004208 /nfs/dbraw/zinc/00/42/08/539004208.db2.gz XOBBXQOKYIXFEY-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccco1 ZINC000381574152 346376859 /nfs/dbraw/zinc/37/68/59/346376859.db2.gz ZADYGUJCFDMKPD-LBPRGKRZSA-N 1 0 221.344 3.728 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381574574 346376947 /nfs/dbraw/zinc/37/69/47/346376947.db2.gz ZDCGGAJWGDMEDD-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381574575 346376799 /nfs/dbraw/zinc/37/67/99/346376799.db2.gz ZDCGGAJWGDMEDD-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381574577 346376583 /nfs/dbraw/zinc/37/65/83/346376583.db2.gz ZDCGGAJWGDMEDD-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381574578 346376792 /nfs/dbraw/zinc/37/67/92/346376792.db2.gz ZDCGGAJWGDMEDD-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000381574719 367432084 /nfs/dbraw/zinc/43/20/84/367432084.db2.gz ZFVFFEPITJTIGA-IHRRRGAJSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000381574720 367432470 /nfs/dbraw/zinc/43/24/70/367432470.db2.gz ZFVFFEPITJTIGA-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000381575342 367431991 /nfs/dbraw/zinc/43/19/91/367431991.db2.gz ZMWIDFAUJUVOQE-CHWSQXEVSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000381575343 367431997 /nfs/dbraw/zinc/43/19/97/367431997.db2.gz ZMWIDFAUJUVOQE-OLZOCXBDSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000381575346 367431908 /nfs/dbraw/zinc/43/19/08/367431908.db2.gz ZMWIDFAUJUVOQE-QWHCGFSZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000381575348 367432290 /nfs/dbraw/zinc/43/22/90/367432290.db2.gz ZMWIDFAUJUVOQE-STQMWFEESA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ncsc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000381575661 367431822 /nfs/dbraw/zinc/43/18/22/367431822.db2.gz ZRTXPLRVSVURBO-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000381575719 367432322 /nfs/dbraw/zinc/43/23/22/367432322.db2.gz ZTUJADOGZIHRGT-NEPJUHHUSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000381575721 367432168 /nfs/dbraw/zinc/43/21/68/367432168.db2.gz ZTUJADOGZIHRGT-NWDGAFQWSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000381575722 367431794 /nfs/dbraw/zinc/43/17/94/367431794.db2.gz ZTUJADOGZIHRGT-RYUDHWBXSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000381575724 367432380 /nfs/dbraw/zinc/43/23/80/367432380.db2.gz ZTUJADOGZIHRGT-VXGBXAGGSA-N 1 0 237.412 3.971 20 0 BHADRO CCc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000381577408 346381225 /nfs/dbraw/zinc/38/12/25/346381225.db2.gz CSVLLAKXNBCIRP-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000381578934 367431788 /nfs/dbraw/zinc/43/17/88/367431788.db2.gz BIIIIVXJRZVRCN-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000381578944 367431825 /nfs/dbraw/zinc/43/18/25/367431825.db2.gz BIIIIVXJRZVRCN-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000381578946 346382605 /nfs/dbraw/zinc/38/26/05/346382605.db2.gz BIIIIVXJRZVRCN-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000381578947 346382872 /nfs/dbraw/zinc/38/28/72/346382872.db2.gz BIIIIVXJRZVRCN-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000381579486 346383502 /nfs/dbraw/zinc/38/35/02/346383502.db2.gz DVISSUUAIGVCSZ-GFCCVEGCSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000381579487 346383551 /nfs/dbraw/zinc/38/35/51/346383551.db2.gz DVISSUUAIGVCSZ-LBPRGKRZSA-N 1 0 231.330 3.734 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCc1nccs1 ZINC000381580391 367432161 /nfs/dbraw/zinc/43/21/61/367432161.db2.gz FDEVQCRAOXCJQZ-GFCCVEGCSA-N 1 0 240.416 3.634 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCc1nccs1 ZINC000381580392 367432153 /nfs/dbraw/zinc/43/21/53/367432153.db2.gz FDEVQCRAOXCJQZ-LBPRGKRZSA-N 1 0 240.416 3.634 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000381580516 367431843 /nfs/dbraw/zinc/43/18/43/367431843.db2.gz FGWDGKNITWWGIS-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000381580518 367432357 /nfs/dbraw/zinc/43/23/57/367432357.db2.gz FGWDGKNITWWGIS-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000381581934 487513632 /nfs/dbraw/zinc/51/36/32/487513632.db2.gz AYGPJECUEUVWPU-IMRBUKKESA-N 1 0 235.758 3.537 20 0 BHADRO CC1(C)CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000381583137 367433384 /nfs/dbraw/zinc/43/33/84/367433384.db2.gz CBWIEEIIFQNFIC-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000381583139 367433143 /nfs/dbraw/zinc/43/31/43/367433143.db2.gz CBWIEEIIFQNFIC-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cs1 ZINC000381586019 398265433 /nfs/dbraw/zinc/26/54/33/398265433.db2.gz KNSUVIWOOCOCNW-GXSJLCMTSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)cs1 ZINC000381586027 398265134 /nfs/dbraw/zinc/26/51/34/398265134.db2.gz KNSUVIWOOCOCNW-KOLCDFICSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cs1 ZINC000381586028 398265105 /nfs/dbraw/zinc/26/51/05/398265105.db2.gz KNSUVIWOOCOCNW-MWLCHTKSSA-N 1 0 245.338 3.895 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)cs1 ZINC000381586029 398265192 /nfs/dbraw/zinc/26/51/92/398265192.db2.gz KNSUVIWOOCOCNW-ONGXEEELSA-N 1 0 245.338 3.895 20 0 BHADRO CSCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000381586257 344524044 /nfs/dbraw/zinc/52/40/44/344524044.db2.gz HSSMAOGWJDQFIA-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]CCC2CC2)s1 ZINC000381586301 539004197 /nfs/dbraw/zinc/00/41/97/539004197.db2.gz CZWYLLXPAZKSLA-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000381587415 346391339 /nfs/dbraw/zinc/39/13/39/346391339.db2.gz IDOHEFBJCPLLLM-NEPJUHHUSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000381587416 346391024 /nfs/dbraw/zinc/39/10/24/346391024.db2.gz IDOHEFBJCPLLLM-NWDGAFQWSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000381587418 346391043 /nfs/dbraw/zinc/39/10/43/346391043.db2.gz IDOHEFBJCPLLLM-RYUDHWBXSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000381587421 367433211 /nfs/dbraw/zinc/43/32/11/367433211.db2.gz IDOHEFBJCPLLLM-VXGBXAGGSA-N 1 0 223.335 3.565 20 0 BHADRO CCC1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000381588178 367433199 /nfs/dbraw/zinc/43/31/99/367433199.db2.gz DALJNENHMODOLN-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000381588179 367433266 /nfs/dbraw/zinc/43/32/66/367433266.db2.gz DALJNENHMODOLN-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381588219 367433288 /nfs/dbraw/zinc/43/32/88/367433288.db2.gz DBEMAAJSLNTNIG-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381588220 367433357 /nfs/dbraw/zinc/43/33/57/367433357.db2.gz DBEMAAJSLNTNIG-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCOC(C)C ZINC000381588587 346392201 /nfs/dbraw/zinc/39/22/01/346392201.db2.gz INKXXEKJZTVGTD-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCOC(C)C ZINC000381588589 346391906 /nfs/dbraw/zinc/39/19/06/346391906.db2.gz INKXXEKJZTVGTD-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCOC(C)C ZINC000381588592 346392227 /nfs/dbraw/zinc/39/22/27/346392227.db2.gz INKXXEKJZTVGTD-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCOC(C)C ZINC000381588593 346391795 /nfs/dbraw/zinc/39/17/95/346391795.db2.gz INKXXEKJZTVGTD-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381588694 346392255 /nfs/dbraw/zinc/39/22/55/346392255.db2.gz DBEMAAJSLNTNIG-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381588695 346391946 /nfs/dbraw/zinc/39/19/46/346391946.db2.gz DBEMAAJSLNTNIG-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CSCc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000381588781 367432795 /nfs/dbraw/zinc/43/27/95/367432795.db2.gz IQGRIBINQKNORE-UHFFFAOYSA-N 1 0 237.412 3.685 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000381590082 367435076 /nfs/dbraw/zinc/43/50/76/367435076.db2.gz JCSYDMKGWIGGFT-KBPBESRZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000381590083 367435010 /nfs/dbraw/zinc/43/50/10/367435010.db2.gz JCSYDMKGWIGGFT-KGLIPLIRSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000381590085 367434057 /nfs/dbraw/zinc/43/40/57/367434057.db2.gz JCSYDMKGWIGGFT-UONOGXRCSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000381590086 367434298 /nfs/dbraw/zinc/43/42/98/367434298.db2.gz JCSYDMKGWIGGFT-ZIAGYGMSSA-N 1 0 235.396 3.725 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000381591964 367434268 /nfs/dbraw/zinc/43/42/68/367434268.db2.gz JWGRGBJCZIHTFP-CXQJBGSLSA-N 1 0 235.396 3.858 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)cnc1Cl ZINC000381593300 710660043 /nfs/dbraw/zinc/66/00/43/710660043.db2.gz IAGVIRANDBPYBO-UHFFFAOYSA-N 1 0 240.778 3.568 20 0 BHADRO Clc1ccc(C2([NH2+]CCC3CC3)CC2)cc1 ZINC000381593410 367434942 /nfs/dbraw/zinc/43/49/42/367434942.db2.gz KOHGMPNHEBEQEE-UHFFFAOYSA-N 1 0 235.758 3.719 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)C1CCCCC1 ZINC000381596398 346400344 /nfs/dbraw/zinc/40/03/44/346400344.db2.gz LVWAAAOLZDNMRH-GFCCVEGCSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)C1CCCCC1 ZINC000381596406 367434791 /nfs/dbraw/zinc/43/47/91/367434791.db2.gz LVWAAAOLZDNMRH-LBPRGKRZSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000381597141 367434217 /nfs/dbraw/zinc/43/42/17/367434217.db2.gz MDVWTQYELIDTOP-CTHBEMJXSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000381597142 367433916 /nfs/dbraw/zinc/43/39/16/367433916.db2.gz MDVWTQYELIDTOP-DDHJSBNISA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000381597150 367434241 /nfs/dbraw/zinc/43/42/41/367434241.db2.gz MDVWTQYELIDTOP-MYZSUADSSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000381597152 367434029 /nfs/dbraw/zinc/43/40/29/367434029.db2.gz MDVWTQYELIDTOP-NZBPQXDJSA-N 1 0 217.356 3.567 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC12CCC2)SC ZINC000381597551 710659990 /nfs/dbraw/zinc/65/99/90/710659990.db2.gz MFVBILBCCOIMJS-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC12CCC2)SC ZINC000381597552 710660124 /nfs/dbraw/zinc/66/01/24/710660124.db2.gz MFVBILBCCOIMJS-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO FC(F)(F)CC[NH2+]CCCC1CCCCC1 ZINC000381597808 346403663 /nfs/dbraw/zinc/40/36/63/346403663.db2.gz MJVMJNYTLHNKEY-UHFFFAOYSA-N 1 0 237.309 3.889 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC2(C)C)cs1 ZINC000381598811 367435057 /nfs/dbraw/zinc/43/50/57/367435057.db2.gz MTAHLZCAEYJCHO-CMPLNLGQSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)cs1 ZINC000381598812 367434692 /nfs/dbraw/zinc/43/46/92/367434692.db2.gz MTAHLZCAEYJCHO-JQWIXIFHSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)cs1 ZINC000381598813 367434155 /nfs/dbraw/zinc/43/41/55/367434155.db2.gz MTAHLZCAEYJCHO-PWSUYJOCSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)cs1 ZINC000381598814 346405421 /nfs/dbraw/zinc/40/54/21/346405421.db2.gz MTAHLZCAEYJCHO-ZYHUDNBSSA-N 1 0 223.385 3.753 20 0 BHADRO CSC1(C[NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC000381599135 367436286 /nfs/dbraw/zinc/43/62/86/367436286.db2.gz MVIUITNQNPFWCD-CHWSQXEVSA-N 1 0 243.460 3.932 20 0 BHADRO CSC1(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC000381599136 367436491 /nfs/dbraw/zinc/43/64/91/367436491.db2.gz MVIUITNQNPFWCD-OLZOCXBDSA-N 1 0 243.460 3.932 20 0 BHADRO CSC1(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC000381599137 367436136 /nfs/dbraw/zinc/43/61/36/367436136.db2.gz MVIUITNQNPFWCD-QWHCGFSZSA-N 1 0 243.460 3.932 20 0 BHADRO CSC1(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC000381599138 367435944 /nfs/dbraw/zinc/43/59/44/367435944.db2.gz MVIUITNQNPFWCD-STQMWFEESA-N 1 0 243.460 3.932 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)s1 ZINC000381600843 346406194 /nfs/dbraw/zinc/40/61/94/346406194.db2.gz GYTKSWZOEAIDGV-BQSGVUBFSA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)s1 ZINC000381600844 346406317 /nfs/dbraw/zinc/40/63/17/346406317.db2.gz GYTKSWZOEAIDGV-IQOUGMIPSA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)s1 ZINC000381600845 346406332 /nfs/dbraw/zinc/40/63/32/346406332.db2.gz GYTKSWZOEAIDGV-IUCKATPISA-N 1 0 237.412 3.622 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)s1 ZINC000381600846 346406247 /nfs/dbraw/zinc/40/62/47/346406247.db2.gz GYTKSWZOEAIDGV-JYYRZZBQSA-N 1 0 237.412 3.622 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000381601684 539004806 /nfs/dbraw/zinc/00/48/06/539004806.db2.gz OBBZKWBQPBCTCQ-GHMZBOCLSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000381601686 539004561 /nfs/dbraw/zinc/00/45/61/539004561.db2.gz OBBZKWBQPBCTCQ-MNOVXSKESA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000381601690 539004823 /nfs/dbraw/zinc/00/48/23/539004823.db2.gz OBBZKWBQPBCTCQ-QWRGUYRKSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000381601692 538111391 /nfs/dbraw/zinc/11/13/91/538111391.db2.gz OBBZKWBQPBCTCQ-WDEREUQCSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCSC ZINC000381601753 367436478 /nfs/dbraw/zinc/43/64/78/367436478.db2.gz OCYGREYSOBPHKK-BFHYXJOUSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCSC ZINC000381601757 367436315 /nfs/dbraw/zinc/43/63/15/367436315.db2.gz OCYGREYSOBPHKK-MCIONIFRSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCSC ZINC000381601758 367436386 /nfs/dbraw/zinc/43/63/86/367436386.db2.gz OCYGREYSOBPHKK-MGPQQGTHSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCSC ZINC000381601759 367436309 /nfs/dbraw/zinc/43/63/09/367436309.db2.gz OCYGREYSOBPHKK-MJBXVCDLSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)=CC[NH2+]Cc1cscc1C(F)(F)F ZINC000381602090 357710352 /nfs/dbraw/zinc/71/03/52/357710352.db2.gz NJRDAMYYCYWWNG-UHFFFAOYSA-N 1 0 249.301 3.823 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000381602565 346409019 /nfs/dbraw/zinc/40/90/19/346409019.db2.gz NLXGKFRQXOLPTI-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000381602569 346408644 /nfs/dbraw/zinc/40/86/44/346408644.db2.gz NLXGKFRQXOLPTI-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000381602572 346408864 /nfs/dbraw/zinc/40/88/64/346408864.db2.gz NLXGKFRQXOLPTI-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000381602573 346408747 /nfs/dbraw/zinc/40/87/47/346408747.db2.gz NLXGKFRQXOLPTI-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381603653 346413424 /nfs/dbraw/zinc/41/34/24/346413424.db2.gz OYWASHBRZSMWLE-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381603654 346413773 /nfs/dbraw/zinc/41/37/73/346413773.db2.gz OYWASHBRZSMWLE-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381603655 346413720 /nfs/dbraw/zinc/41/37/20/346413720.db2.gz OYWASHBRZSMWLE-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000381603656 346413433 /nfs/dbraw/zinc/41/34/33/346413433.db2.gz OYWASHBRZSMWLE-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000381607069 539004897 /nfs/dbraw/zinc/00/48/97/539004897.db2.gz QQORDXFCAZTRNA-DXTPNHAXSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C\C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000381607070 539004597 /nfs/dbraw/zinc/00/45/97/539004597.db2.gz QQORDXFCAZTRNA-HSBHDXMMSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000381607071 539004543 /nfs/dbraw/zinc/00/45/43/539004543.db2.gz QQORDXFCAZTRNA-LQPUYASZSA-N 1 0 225.282 3.582 20 0 BHADRO C/C=C/C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000381607072 539004835 /nfs/dbraw/zinc/00/48/35/539004835.db2.gz QQORDXFCAZTRNA-MASHWEEQSA-N 1 0 225.282 3.582 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000381609821 367437556 /nfs/dbraw/zinc/43/75/56/367437556.db2.gz OXPIYWZUOJGUOD-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381609822 367437848 /nfs/dbraw/zinc/43/78/48/367437848.db2.gz OXPIYWZUOJGUOD-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000381609825 367437636 /nfs/dbraw/zinc/43/76/36/367437636.db2.gz OXPIYWZUOJGUOD-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000381609834 367437724 /nfs/dbraw/zinc/43/77/24/367437724.db2.gz OXPIYWZUOJGUOD-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000381610443 367437539 /nfs/dbraw/zinc/43/75/39/367437539.db2.gz TVKHSAJUXVJJJA-UHFFFAOYSA-N 1 0 219.372 3.828 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000381610987 346427624 /nfs/dbraw/zinc/42/76/24/346427624.db2.gz SFLKVRIDUSXEEA-GFCCVEGCSA-N 1 0 231.330 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000381610988 346427726 /nfs/dbraw/zinc/42/77/26/346427726.db2.gz SFLKVRIDUSXEEA-LBPRGKRZSA-N 1 0 231.330 3.877 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000381612350 367438043 /nfs/dbraw/zinc/43/80/43/367438043.db2.gz SSTPSJDKSSUZMX-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000381612353 367437434 /nfs/dbraw/zinc/43/74/34/367437434.db2.gz SSTPSJDKSSUZMX-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000381612355 367438086 /nfs/dbraw/zinc/43/80/86/367438086.db2.gz SSTPSJDKSSUZMX-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000381612358 367437371 /nfs/dbraw/zinc/43/73/71/367437371.db2.gz SSTPSJDKSSUZMX-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCCC1 ZINC000381612929 346431515 /nfs/dbraw/zinc/43/15/15/346431515.db2.gz PMUPAIFUWUVXAT-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCCC1 ZINC000381612934 367437443 /nfs/dbraw/zinc/43/74/43/367437443.db2.gz PMUPAIFUWUVXAT-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCCC1 ZINC000381612937 367437987 /nfs/dbraw/zinc/43/79/87/367437987.db2.gz PMUPAIFUWUVXAT-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCCC1 ZINC000381612942 367437585 /nfs/dbraw/zinc/43/75/85/367437585.db2.gz PMUPAIFUWUVXAT-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCC2CCCC2)CC1 ZINC000381613867 367439336 /nfs/dbraw/zinc/43/93/36/367439336.db2.gz UFIZQGGPWLOCJO-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCC2CCCC2)CC1 ZINC000381613868 367439291 /nfs/dbraw/zinc/43/92/91/367439291.db2.gz UFIZQGGPWLOCJO-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC000381615588 710661651 /nfs/dbraw/zinc/66/16/51/710661651.db2.gz VDRPTVJBYCFEDR-CEOUIICOSA-N 1 0 235.758 3.788 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC000381615589 710661856 /nfs/dbraw/zinc/66/18/56/710661856.db2.gz VDRPTVJBYCFEDR-DFGFTWQDSA-N 1 0 235.758 3.788 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC000381615590 710661687 /nfs/dbraw/zinc/66/16/87/710661687.db2.gz VDRPTVJBYCFEDR-MDDUGHTDSA-N 1 0 235.758 3.788 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC000381615591 710661890 /nfs/dbraw/zinc/66/18/90/710661890.db2.gz VDRPTVJBYCFEDR-RXTQTKKPSA-N 1 0 235.758 3.788 20 0 BHADRO Fc1cccc(C[NH2+]C2(C3CC3)CC2)c1Cl ZINC000381617667 346442666 /nfs/dbraw/zinc/44/26/66/346442666.db2.gz WHYRCKYCHUFKTD-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000381618541 710662898 /nfs/dbraw/zinc/66/28/98/710662898.db2.gz XDOQZTUYNOAKSD-LOWDOPEQSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000381618542 710663336 /nfs/dbraw/zinc/66/33/36/710663336.db2.gz XDOQZTUYNOAKSD-QNWHQSFQSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000381618641 710662358 /nfs/dbraw/zinc/66/23/58/710662358.db2.gz XDOQZTUYNOAKSD-RNJOBUHISA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000381618642 710663258 /nfs/dbraw/zinc/66/32/58/710663258.db2.gz XDOQZTUYNOAKSD-UMSGYPCISA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000381619796 367439381 /nfs/dbraw/zinc/43/93/81/367439381.db2.gz YFELWEADPAXAEN-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000381619797 357734741 /nfs/dbraw/zinc/73/47/41/357734741.db2.gz YFELWEADPAXAEN-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000381619798 367438950 /nfs/dbraw/zinc/43/89/50/367438950.db2.gz YFELWEADPAXAEN-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000381619799 346449421 /nfs/dbraw/zinc/44/94/21/346449421.db2.gz YFELWEADPAXAEN-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1cccs1 ZINC000381619849 710662217 /nfs/dbraw/zinc/66/22/17/710662217.db2.gz YJCMHRMETZMDNS-GHMZBOCLSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1cccs1 ZINC000381619850 710663195 /nfs/dbraw/zinc/66/31/95/710663195.db2.gz YJCMHRMETZMDNS-MNOVXSKESA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccs1 ZINC000381619851 710662680 /nfs/dbraw/zinc/66/26/80/710662680.db2.gz YJCMHRMETZMDNS-QWRGUYRKSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccs1 ZINC000381619852 710663334 /nfs/dbraw/zinc/66/33/34/710663334.db2.gz YJCMHRMETZMDNS-WDEREUQCSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1cccs1 ZINC000381619867 397769423 /nfs/dbraw/zinc/76/94/23/397769423.db2.gz YKNDGUBJTVKOEN-JTQLQIEISA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccs1 ZINC000381619868 397769544 /nfs/dbraw/zinc/76/95/44/397769544.db2.gz YKNDGUBJTVKOEN-SNVBAGLBSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000381619971 367439435 /nfs/dbraw/zinc/43/94/35/367439435.db2.gz YLVZSLRQGWTAGQ-NEBZKDRISA-N 1 0 217.356 3.567 20 0 BHADRO FC1(F)CCCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000381620351 346455860 /nfs/dbraw/zinc/45/58/60/346455860.db2.gz YTTDBRJHQMUEPR-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000381620352 346455568 /nfs/dbraw/zinc/45/55/68/346455568.db2.gz YTTDBRJHQMUEPR-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381620451 367440700 /nfs/dbraw/zinc/44/07/00/367440700.db2.gz ROZVASPIDDOYRA-GFCCVEGCSA-N 1 0 241.400 3.524 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381620452 367440565 /nfs/dbraw/zinc/44/05/65/367440565.db2.gz ROZVASPIDDOYRA-LBPRGKRZSA-N 1 0 241.400 3.524 20 0 BHADRO Clc1cccc(C[NH2+]C23CCC(CC2)C3)c1 ZINC000381621153 710662849 /nfs/dbraw/zinc/66/28/49/710662849.db2.gz ZREYYCGFAOEANO-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO FC1(F)CCC([NH2+]C2CCCCCC2)CC1 ZINC000381621410 367440706 /nfs/dbraw/zinc/44/07/06/367440706.db2.gz ZWIOBVRJEWDCSP-UHFFFAOYSA-N 1 0 231.330 3.877 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381621535 346458115 /nfs/dbraw/zinc/45/81/15/346458115.db2.gz ZZGQSRZYMZYWCG-HSOILSAZSA-N 1 0 237.309 3.886 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381621536 346458121 /nfs/dbraw/zinc/45/81/21/346458121.db2.gz ZZGQSRZYMZYWCG-YVNMAJEFSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000381621723 539005135 /nfs/dbraw/zinc/00/51/35/539005135.db2.gz AHOPCOOLXXEHEJ-JHJVBQTASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000381621725 539005074 /nfs/dbraw/zinc/00/50/74/539005074.db2.gz AHOPCOOLXXEHEJ-UPJWGTAASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000381621726 539005223 /nfs/dbraw/zinc/00/52/23/539005223.db2.gz AHOPCOOLXXEHEJ-XQQFMLRXSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000381621728 539005179 /nfs/dbraw/zinc/00/51/79/539005179.db2.gz AHOPCOOLXXEHEJ-YNEHKIRRSA-N 1 0 237.412 3.705 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cs1 ZINC000381622235 367440024 /nfs/dbraw/zinc/44/00/24/367440024.db2.gz SJVYCTJAGPHPOB-CMPLNLGQSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC2(C)C)cs1 ZINC000381622236 367440489 /nfs/dbraw/zinc/44/04/89/367440489.db2.gz SJVYCTJAGPHPOB-JQWIXIFHSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cs1 ZINC000381622237 367440789 /nfs/dbraw/zinc/44/07/89/367440789.db2.gz SJVYCTJAGPHPOB-PWSUYJOCSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)cs1 ZINC000381622238 367440441 /nfs/dbraw/zinc/44/04/41/367440441.db2.gz SJVYCTJAGPHPOB-ZYHUDNBSSA-N 1 0 223.385 3.896 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cccnc1Cl ZINC000381622776 710663212 /nfs/dbraw/zinc/66/32/12/710663212.db2.gz FBAXCOFQWXBFFZ-UHFFFAOYSA-N 1 0 240.778 3.649 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cs1 ZINC000381624633 367440663 /nfs/dbraw/zinc/44/06/63/367440663.db2.gz TWLXKIFKTBWASE-GXSJLCMTSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CC2CC2)cs1 ZINC000381624634 367440147 /nfs/dbraw/zinc/44/01/47/367440147.db2.gz TWLXKIFKTBWASE-KOLCDFICSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CC2CC2)cs1 ZINC000381624635 367440678 /nfs/dbraw/zinc/44/06/78/367440678.db2.gz TWLXKIFKTBWASE-MWLCHTKSSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CC2CC2)cs1 ZINC000381624636 367440599 /nfs/dbraw/zinc/44/05/99/367440599.db2.gz TWLXKIFKTBWASE-ONGXEEELSA-N 1 0 223.385 3.896 20 0 BHADRO FC1(CC[NH2+]C2CCCCCCC2)CCC1 ZINC000381625341 710663154 /nfs/dbraw/zinc/66/31/54/710663154.db2.gz JJRBKTNYKRGMLZ-UHFFFAOYSA-N 1 0 227.367 3.971 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H](C)CF ZINC000381626883 367440187 /nfs/dbraw/zinc/44/01/87/367440187.db2.gz LSXCHPJWLNFPQS-BRNRAETOSA-N 1 0 241.737 3.691 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H](C)CF ZINC000381626884 346475151 /nfs/dbraw/zinc/47/51/51/346475151.db2.gz LSXCHPJWLNFPQS-HUYFXPKMSA-N 1 0 241.737 3.691 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc(Cl)cs1 ZINC000381628763 367441630 /nfs/dbraw/zinc/44/16/30/367441630.db2.gz LBPSQSKQDURAMB-UHFFFAOYSA-N 1 0 231.792 3.926 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cs1 ZINC000381629112 367441737 /nfs/dbraw/zinc/44/17/37/367441737.db2.gz UYULLUARWZBTTE-CDMKHQONSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cs1 ZINC000381629117 367441825 /nfs/dbraw/zinc/44/18/25/367441825.db2.gz UYULLUARWZBTTE-GAFUQQFSSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cs1 ZINC000381629119 346481187 /nfs/dbraw/zinc/48/11/87/346481187.db2.gz UYULLUARWZBTTE-SUZMYJTESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cs1 ZINC000381629483 367441697 /nfs/dbraw/zinc/44/16/97/367441697.db2.gz UYULLUARWZBTTE-XHVZSJERSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2scnc2C)CC1 ZINC000381632234 367442242 /nfs/dbraw/zinc/44/22/42/367442242.db2.gz RMNGGAQJTINTRP-HAQNSBGRSA-N 1 0 238.400 3.510 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C2CC2)cs1 ZINC000381632910 398267875 /nfs/dbraw/zinc/26/78/75/398267875.db2.gz VPFTYDUUCBSZQM-GXSJLCMTSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C2CC2)cs1 ZINC000381632911 398267684 /nfs/dbraw/zinc/26/76/84/398267684.db2.gz VPFTYDUUCBSZQM-KOLCDFICSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)cs1 ZINC000381632912 398267877 /nfs/dbraw/zinc/26/78/77/398267877.db2.gz VPFTYDUUCBSZQM-MWLCHTKSSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C2CC2)cs1 ZINC000381632913 398268186 /nfs/dbraw/zinc/26/81/86/398268186.db2.gz VPFTYDUUCBSZQM-ONGXEEELSA-N 1 0 223.385 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CCC2)cs1 ZINC000381636747 367441966 /nfs/dbraw/zinc/44/19/66/367441966.db2.gz WLDONJLCGLYYAH-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CCC2)cs1 ZINC000381637282 346501414 /nfs/dbraw/zinc/50/14/14/346501414.db2.gz WLDONJLCGLYYAH-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC23CCCC3)s1 ZINC000381648765 539005980 /nfs/dbraw/zinc/00/59/80/539005980.db2.gz CLPDGHMGZPIEEH-CYBMUJFWSA-N 1 0 235.396 3.733 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC23CCCC3)s1 ZINC000381648766 539005653 /nfs/dbraw/zinc/00/56/53/539005653.db2.gz CLPDGHMGZPIEEH-ZDUSSCGKSA-N 1 0 235.396 3.733 20 0 BHADRO C1=C(CC[NH2+]C[C@@H]2CCSC2)CCCCC1 ZINC000381649715 346550578 /nfs/dbraw/zinc/55/05/78/346550578.db2.gz RKLDGKJCWCYDOA-AWEZNQCLSA-N 1 0 239.428 3.610 20 0 BHADRO C1=C(CC[NH2+]C[C@H]2CCSC2)CCCCC1 ZINC000381649717 346550543 /nfs/dbraw/zinc/55/05/43/346550543.db2.gz RKLDGKJCWCYDOA-CQSZACIVSA-N 1 0 239.428 3.610 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)cs1 ZINC000381650807 346554532 /nfs/dbraw/zinc/55/45/32/346554532.db2.gz YORMOPWYGAFTAZ-AAEUAGOBSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cs1 ZINC000381650808 346554972 /nfs/dbraw/zinc/55/49/72/346554972.db2.gz YORMOPWYGAFTAZ-DGCLKSJQSA-N 1 0 221.369 3.816 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)cs1 ZINC000381650809 346554854 /nfs/dbraw/zinc/55/48/54/346554854.db2.gz YORMOPWYGAFTAZ-WCQYABFASA-N 1 0 221.369 3.816 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)cs1 ZINC000381650811 346554892 /nfs/dbraw/zinc/55/48/92/346554892.db2.gz YORMOPWYGAFTAZ-YPMHNXCESA-N 1 0 221.369 3.816 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000381650835 367442712 /nfs/dbraw/zinc/44/27/12/367442712.db2.gz YPRAJJPHXAPNJZ-CHWSQXEVSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000381650837 367443392 /nfs/dbraw/zinc/44/33/92/367443392.db2.gz YPRAJJPHXAPNJZ-OLZOCXBDSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000381650838 367442932 /nfs/dbraw/zinc/44/29/32/367442932.db2.gz YPRAJJPHXAPNJZ-QWHCGFSZSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000381650839 367442936 /nfs/dbraw/zinc/44/29/36/367442936.db2.gz YPRAJJPHXAPNJZ-STQMWFEESA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000381650903 346555669 /nfs/dbraw/zinc/55/56/69/346555669.db2.gz YQVHTBOKWIOKIB-GFCCVEGCSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000381650904 346555484 /nfs/dbraw/zinc/55/54/84/346555484.db2.gz YQVHTBOKWIOKIB-LBPRGKRZSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC000381658337 710668825 /nfs/dbraw/zinc/66/88/25/710668825.db2.gz FRTORCAETWWOPT-NEPJUHHUSA-N 1 0 223.335 3.680 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC000381658346 710669186 /nfs/dbraw/zinc/66/91/86/710669186.db2.gz FRTORCAETWWOPT-NWDGAFQWSA-N 1 0 223.335 3.680 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC000381658361 710668926 /nfs/dbraw/zinc/66/89/26/710668926.db2.gz FRTORCAETWWOPT-RYUDHWBXSA-N 1 0 223.335 3.680 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC000381658367 710668649 /nfs/dbraw/zinc/66/86/49/710668649.db2.gz FRTORCAETWWOPT-VXGBXAGGSA-N 1 0 223.335 3.680 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000381659821 367444887 /nfs/dbraw/zinc/44/48/87/367444887.db2.gz JLWYYOOVLDZYRM-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000381659842 367444377 /nfs/dbraw/zinc/44/43/77/367444377.db2.gz JLWYYOOVLDZYRM-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000381660050 346605853 /nfs/dbraw/zinc/60/58/53/346605853.db2.gz FWUWBFIXXVVZOM-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000381660051 346605713 /nfs/dbraw/zinc/60/57/13/346605713.db2.gz FWUWBFIXXVVZOM-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000381660052 346605767 /nfs/dbraw/zinc/60/57/67/346605767.db2.gz FWUWBFIXXVVZOM-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000381660054 346606048 /nfs/dbraw/zinc/60/60/48/346606048.db2.gz FWUWBFIXXVVZOM-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(C)(CC)[NH2+]CCc1ccc(C)cc1 ZINC000381664309 539005937 /nfs/dbraw/zinc/00/59/37/539005937.db2.gz GOSQGSQCOIVVCZ-UHFFFAOYSA-N 1 0 219.372 3.706 20 0 BHADRO CC1(C)CC([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000381664495 367446413 /nfs/dbraw/zinc/44/64/13/367446413.db2.gz GPXJZQGSRRVORH-CYBMUJFWSA-N 1 0 235.396 3.977 20 0 BHADRO CC1(C)CC([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000381664502 367446275 /nfs/dbraw/zinc/44/62/75/367446275.db2.gz GPXJZQGSRRVORH-ZDUSSCGKSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccsc1 ZINC000381676578 367446216 /nfs/dbraw/zinc/44/62/16/367446216.db2.gz LRKOTYQWJHCIRW-GXSJLCMTSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000381676587 367446075 /nfs/dbraw/zinc/44/60/75/367446075.db2.gz LRKOTYQWJHCIRW-KOLCDFICSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccsc1 ZINC000381676591 367446102 /nfs/dbraw/zinc/44/61/02/367446102.db2.gz LRKOTYQWJHCIRW-MWLCHTKSSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000381676603 367446034 /nfs/dbraw/zinc/44/60/34/367446034.db2.gz LRKOTYQWJHCIRW-ONGXEEELSA-N 1 0 245.338 3.834 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381679822 346661875 /nfs/dbraw/zinc/66/18/75/346661875.db2.gz MCGQNCXDHUWBLI-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381679827 367445910 /nfs/dbraw/zinc/44/59/10/367445910.db2.gz MCGQNCXDHUWBLI-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000381685340 346673626 /nfs/dbraw/zinc/67/36/26/346673626.db2.gz MSWYIIKIIYBKKE-CYBMUJFWSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000381685341 346673622 /nfs/dbraw/zinc/67/36/22/346673622.db2.gz MSWYIIKIIYBKKE-ZDUSSCGKSA-N 1 0 245.357 3.982 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381688352 398254654 /nfs/dbraw/zinc/25/46/54/398254654.db2.gz FBFYRKBAFBDJDY-GXSJLCMTSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381688353 398254852 /nfs/dbraw/zinc/25/48/52/398254852.db2.gz FBFYRKBAFBDJDY-KOLCDFICSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381688354 398269640 /nfs/dbraw/zinc/26/96/40/398269640.db2.gz FBFYRKBAFBDJDY-MWLCHTKSSA-N 1 0 211.374 3.896 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381688355 398269612 /nfs/dbraw/zinc/26/96/12/398269612.db2.gz FBFYRKBAFBDJDY-ONGXEEELSA-N 1 0 211.374 3.896 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381688711 367447391 /nfs/dbraw/zinc/44/73/91/367447391.db2.gz NETJKOMFXONZSP-AGIUHOORSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381688712 367447687 /nfs/dbraw/zinc/44/76/87/367447687.db2.gz NETJKOMFXONZSP-FRRDWIJNSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381688713 367446977 /nfs/dbraw/zinc/44/69/77/367446977.db2.gz NETJKOMFXONZSP-JHJVBQTASA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381688714 367447188 /nfs/dbraw/zinc/44/71/88/367447188.db2.gz NETJKOMFXONZSP-UPJWGTAASA-N 1 0 245.357 3.838 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1 ZINC000381693387 367447725 /nfs/dbraw/zinc/44/77/25/367447725.db2.gz NUVCYNTVMLISMF-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1 ZINC000381693391 357431554 /nfs/dbraw/zinc/43/15/54/357431554.db2.gz NUVCYNTVMLISMF-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000381693508 367447728 /nfs/dbraw/zinc/44/77/28/367447728.db2.gz GXQOGSWDIVTNFA-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000381693509 367447383 /nfs/dbraw/zinc/44/73/83/367447383.db2.gz GXQOGSWDIVTNFA-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000381693512 346697547 /nfs/dbraw/zinc/69/75/47/346697547.db2.gz GXQOGSWDIVTNFA-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000381693519 367446967 /nfs/dbraw/zinc/44/69/67/367446967.db2.gz GXQOGSWDIVTNFA-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CCC1(F)CCC1 ZINC000381694994 539005657 /nfs/dbraw/zinc/00/56/57/539005657.db2.gz HGBYLZRFUYUAPI-LLVKDONJSA-N 1 0 241.375 3.551 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CCC1(F)CCC1 ZINC000381695010 539005955 /nfs/dbraw/zinc/00/59/55/539005955.db2.gz HGBYLZRFUYUAPI-NSHDSACASA-N 1 0 241.375 3.551 20 0 BHADRO CCSCC[NH2+]CC(C)(C)C1=CCCCC1 ZINC000381696691 367447761 /nfs/dbraw/zinc/44/77/61/367447761.db2.gz HRLGOYTXKKDPRB-UHFFFAOYSA-N 1 0 241.444 3.856 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381698169 346705488 /nfs/dbraw/zinc/70/54/88/346705488.db2.gz OLNWKIQOIDAHBX-AGIUHOORSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381698172 346704999 /nfs/dbraw/zinc/70/49/99/346704999.db2.gz OLNWKIQOIDAHBX-FRRDWIJNSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381698173 346705463 /nfs/dbraw/zinc/70/54/63/346705463.db2.gz OLNWKIQOIDAHBX-JHJVBQTASA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381698174 346705063 /nfs/dbraw/zinc/70/50/63/346705063.db2.gz OLNWKIQOIDAHBX-UPJWGTAASA-N 1 0 245.357 3.838 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)s1 ZINC000381698899 346708762 /nfs/dbraw/zinc/70/87/62/346708762.db2.gz OOCQYFBMSJMZHP-JTQLQIEISA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)s1 ZINC000381698908 367449002 /nfs/dbraw/zinc/44/90/02/367449002.db2.gz OOCQYFBMSJMZHP-SNVBAGLBSA-N 1 0 245.338 3.582 20 0 BHADRO CCCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381699579 346710567 /nfs/dbraw/zinc/71/05/67/346710567.db2.gz GTICBBPUYMBTAS-LLVKDONJSA-N 1 0 211.374 3.897 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381699589 367448598 /nfs/dbraw/zinc/44/85/98/367448598.db2.gz GTICBBPUYMBTAS-NSHDSACASA-N 1 0 211.374 3.897 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381700587 367448932 /nfs/dbraw/zinc/44/89/32/367448932.db2.gz OSFFHXNYQXZDEU-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381700588 367449057 /nfs/dbraw/zinc/44/90/57/367449057.db2.gz OSFFHXNYQXZDEU-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)C)cs1 ZINC000381702151 346713196 /nfs/dbraw/zinc/71/31/96/346713196.db2.gz HDZSJDBQUSUGJS-LLVKDONJSA-N 1 0 211.374 3.753 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)C)cs1 ZINC000381702152 346713322 /nfs/dbraw/zinc/71/33/22/346713322.db2.gz HDZSJDBQUSUGJS-NSHDSACASA-N 1 0 211.374 3.753 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381704975 398254624 /nfs/dbraw/zinc/25/46/24/398254624.db2.gz PLSOFFONIMBKAL-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381704977 398269758 /nfs/dbraw/zinc/26/97/58/398269758.db2.gz PLSOFFONIMBKAL-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381704978 398269578 /nfs/dbraw/zinc/26/95/78/398269578.db2.gz PLSOFFONIMBKAL-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381704981 398269704 /nfs/dbraw/zinc/26/97/04/398269704.db2.gz PLSOFFONIMBKAL-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381706440 367448635 /nfs/dbraw/zinc/44/86/35/367448635.db2.gz JJDNDUBVGOVSAH-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000381706473 367448855 /nfs/dbraw/zinc/44/88/55/367448855.db2.gz JJDNDUBVGOVSAH-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381711393 710682239 /nfs/dbraw/zinc/68/22/39/710682239.db2.gz KENGZDZDQYKUJK-QTAHKJALSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381711394 710682587 /nfs/dbraw/zinc/68/25/87/710682587.db2.gz KENGZDZDQYKUJK-UZEXVOJHSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381711395 710681976 /nfs/dbraw/zinc/68/19/76/710681976.db2.gz KENGZDZDQYKUJK-VOBJUBJWSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381711396 710682874 /nfs/dbraw/zinc/68/28/74/710682874.db2.gz KENGZDZDQYKUJK-ZYGVAYEYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381713062 346735934 /nfs/dbraw/zinc/73/59/34/346735934.db2.gz KQHCPTZNVNSYMZ-GHMZBOCLSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381713063 346735964 /nfs/dbraw/zinc/73/59/64/346735964.db2.gz KQHCPTZNVNSYMZ-MNOVXSKESA-N 1 0 235.758 3.575 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381713064 346736315 /nfs/dbraw/zinc/73/63/15/346736315.db2.gz KQHCPTZNVNSYMZ-QWRGUYRKSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381713065 346736176 /nfs/dbraw/zinc/73/61/76/346736176.db2.gz KQHCPTZNVNSYMZ-WDEREUQCSA-N 1 0 235.758 3.575 20 0 BHADRO CC1(C)CC([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000381714597 367450167 /nfs/dbraw/zinc/45/01/67/367450167.db2.gz KWHSNIBOOBQMEW-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C1 ZINC000381716204 367450253 /nfs/dbraw/zinc/45/02/53/367450253.db2.gz LFCDPUUFXCDXTK-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000381716207 367450055 /nfs/dbraw/zinc/45/00/55/367450055.db2.gz LFCDPUUFXCDXTK-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1 ZINC000381716213 346739479 /nfs/dbraw/zinc/73/94/79/346739479.db2.gz LFCDPUUFXCDXTK-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000381716218 367450702 /nfs/dbraw/zinc/45/07/02/367450702.db2.gz LFCDPUUFXCDXTK-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H](C)CF ZINC000381720296 367449832 /nfs/dbraw/zinc/44/98/32/367449832.db2.gz LSXCHPJWLNFPQS-PFEDMVJOSA-N 1 0 241.737 3.691 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H](C)CF ZINC000381720301 367450419 /nfs/dbraw/zinc/45/04/19/367450419.db2.gz LSXCHPJWLNFPQS-ZJRUKIMVSA-N 1 0 241.737 3.691 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381722122 352984370 /nfs/dbraw/zinc/98/43/70/352984370.db2.gz RSGNZFYENMUNOC-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381722123 352984039 /nfs/dbraw/zinc/98/40/39/352984039.db2.gz RSGNZFYENMUNOC-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381722124 346751635 /nfs/dbraw/zinc/75/16/35/346751635.db2.gz RSGNZFYENMUNOC-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381722125 346751654 /nfs/dbraw/zinc/75/16/54/346751654.db2.gz RSGNZFYENMUNOC-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381722627 367451088 /nfs/dbraw/zinc/45/10/88/367451088.db2.gz MCNWTKULORUIPE-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381722632 367451188 /nfs/dbraw/zinc/45/11/88/367451188.db2.gz MCNWTKULORUIPE-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381722638 367451302 /nfs/dbraw/zinc/45/13/02/367451302.db2.gz MCNWTKULORUIPE-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381722645 367451797 /nfs/dbraw/zinc/45/17/97/367451797.db2.gz MCNWTKULORUIPE-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C[C@H]1C ZINC000381722718 367451830 /nfs/dbraw/zinc/45/18/30/367451830.db2.gz RTBZUQRHKFHJAX-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C[C@H]1C ZINC000381722721 353036522 /nfs/dbraw/zinc/03/65/22/353036522.db2.gz RTBZUQRHKFHJAX-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C[C@@H]1C ZINC000381722722 367452133 /nfs/dbraw/zinc/45/21/33/367452133.db2.gz RTBZUQRHKFHJAX-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C[C@@H]1C ZINC000381722725 346752286 /nfs/dbraw/zinc/75/22/86/346752286.db2.gz RTBZUQRHKFHJAX-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000381722763 710683422 /nfs/dbraw/zinc/68/34/22/710683422.db2.gz RTEOMIXPMFAJBR-FIYWTHMPSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000381722765 710684241 /nfs/dbraw/zinc/68/42/41/710684241.db2.gz RTEOMIXPMFAJBR-IFWUJCSASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000381722770 710684090 /nfs/dbraw/zinc/68/40/90/710684090.db2.gz RTEOMIXPMFAJBR-TUUUFIMRSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000381722772 710683426 /nfs/dbraw/zinc/68/34/26/710683426.db2.gz RTEOMIXPMFAJBR-TYUFSLCMSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000381724401 367451197 /nfs/dbraw/zinc/45/11/97/367451197.db2.gz KCYHJDABNNZFOB-CYBMUJFWSA-N 1 0 246.398 3.569 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000381724403 367452120 /nfs/dbraw/zinc/45/21/20/367452120.db2.gz KCYHJDABNNZFOB-ZDUSSCGKSA-N 1 0 246.398 3.569 20 0 BHADRO C/C=C\C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000381726585 398270227 /nfs/dbraw/zinc/27/02/27/398270227.db2.gz MRKJYRSWLSAVEE-FOSCPCJNSA-N 1 0 217.356 3.940 20 0 BHADRO C/C=C/C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000381726586 398270201 /nfs/dbraw/zinc/27/02/01/398270201.db2.gz MRKJYRSWLSAVEE-MBVDDHJVSA-N 1 0 217.356 3.940 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000381726588 398270187 /nfs/dbraw/zinc/27/01/87/398270187.db2.gz MRKJYRSWLSAVEE-RGDDUWESSA-N 1 0 217.356 3.940 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000381726589 398270117 /nfs/dbraw/zinc/27/01/17/398270117.db2.gz MRKJYRSWLSAVEE-XVWMLYKFSA-N 1 0 217.356 3.940 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)o1 ZINC000381730464 367451255 /nfs/dbraw/zinc/45/12/55/367451255.db2.gz SMXQQLRRCBLJON-GHMZBOCLSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)o1 ZINC000381730482 367451442 /nfs/dbraw/zinc/45/14/42/367451442.db2.gz SMXQQLRRCBLJON-MNOVXSKESA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)o1 ZINC000381730486 367451139 /nfs/dbraw/zinc/45/11/39/367451139.db2.gz SMXQQLRRCBLJON-QWRGUYRKSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)o1 ZINC000381730489 367451456 /nfs/dbraw/zinc/45/14/56/367451456.db2.gz SMXQQLRRCBLJON-WDEREUQCSA-N 1 0 243.297 3.674 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381731469 367453454 /nfs/dbraw/zinc/45/34/54/367453454.db2.gz SQDDJUAQCQJJRB-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000381731471 367452934 /nfs/dbraw/zinc/45/29/34/367452934.db2.gz SQDDJUAQCQJJRB-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381731473 367452709 /nfs/dbraw/zinc/45/27/09/367452709.db2.gz SQDDJUAQCQJJRB-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000381731475 367453615 /nfs/dbraw/zinc/45/36/15/367453615.db2.gz SQDDJUAQCQJJRB-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CCc1ccc(C[NH2+]C23CCC(CC2)C3)s1 ZINC000381731816 710688885 /nfs/dbraw/zinc/68/88/85/710688885.db2.gz NONHTDWIFIPOIN-UHFFFAOYSA-N 1 0 235.396 3.733 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCSCC1 ZINC000381732461 367452546 /nfs/dbraw/zinc/45/25/46/367452546.db2.gz NRKIDPJABBXLFI-LLVKDONJSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCSCC1 ZINC000381732674 367453410 /nfs/dbraw/zinc/45/34/10/367453410.db2.gz NRKIDPJABBXLFI-NSHDSACASA-N 1 0 241.444 3.544 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCSC2)CCCCCC1 ZINC000381734369 487655892 /nfs/dbraw/zinc/65/58/92/487655892.db2.gz OCBWHOXKXCZRRH-CYBMUJFWSA-N 1 0 241.444 3.690 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCSC2)CCCCCC1 ZINC000381734380 367453619 /nfs/dbraw/zinc/45/36/19/367453619.db2.gz OCBWHOXKXCZRRH-ZDUSSCGKSA-N 1 0 241.444 3.690 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000381738027 355371974 /nfs/dbraw/zinc/37/19/74/355371974.db2.gz LSBXZRTXXIRLAF-GXSJLCMTSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381738028 346778923 /nfs/dbraw/zinc/77/89/23/346778923.db2.gz LSBXZRTXXIRLAF-KOLCDFICSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000381738029 346778681 /nfs/dbraw/zinc/77/86/81/346778681.db2.gz LSBXZRTXXIRLAF-MWLCHTKSSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381738030 346778795 /nfs/dbraw/zinc/77/87/95/346778795.db2.gz LSBXZRTXXIRLAF-ONGXEEELSA-N 1 0 211.374 3.753 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000381750818 346812257 /nfs/dbraw/zinc/81/22/57/346812257.db2.gz REPKMKXAFBJWJI-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000381751017 367454480 /nfs/dbraw/zinc/45/44/80/367454480.db2.gz REPKMKXAFBJWJI-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000381751021 367454297 /nfs/dbraw/zinc/45/42/97/367454297.db2.gz REPKMKXAFBJWJI-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000381751025 346811888 /nfs/dbraw/zinc/81/18/88/346811888.db2.gz REPKMKXAFBJWJI-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)CCC=C(C)C ZINC000381753362 346817876 /nfs/dbraw/zinc/81/78/76/346817876.db2.gz RPXBBAAVFBFBKI-CYBMUJFWSA-N 1 0 227.392 3.526 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)CCC=C(C)C ZINC000381753363 346817946 /nfs/dbraw/zinc/81/79/46/346817946.db2.gz RPXBBAAVFBFBKI-ZDUSSCGKSA-N 1 0 227.392 3.526 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000381758680 367453956 /nfs/dbraw/zinc/45/39/56/367453956.db2.gz SXBFUNGKKPNZBZ-DOMZBBRYSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000381758684 367454557 /nfs/dbraw/zinc/45/45/57/367454557.db2.gz SXBFUNGKKPNZBZ-IUODEOHRSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000381758687 367454566 /nfs/dbraw/zinc/45/45/66/367454566.db2.gz SXBFUNGKKPNZBZ-SWLSCSKDSA-N 1 0 217.356 3.916 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000381758690 367455804 /nfs/dbraw/zinc/45/58/04/367455804.db2.gz SXBFUNGKKPNZBZ-WFASDCNBSA-N 1 0 217.356 3.916 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000381762583 367455735 /nfs/dbraw/zinc/45/57/35/367455735.db2.gz UJVFGDUATKWTCU-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000381762585 367455216 /nfs/dbraw/zinc/45/52/16/367455216.db2.gz UJVFGDUATKWTCU-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)C(C)(C)C ZINC000381764788 367455538 /nfs/dbraw/zinc/45/55/38/367455538.db2.gz UXJOYBCTAYACAG-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(C)(C)C ZINC000381764799 367455552 /nfs/dbraw/zinc/45/55/52/367455552.db2.gz UXJOYBCTAYACAG-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@@H]1CC1(C)C ZINC000381766516 346843893 /nfs/dbraw/zinc/84/38/93/346843893.db2.gz VGOIWEYYBUXCLO-AVGNSLFASA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CC1(C)C ZINC000381766519 367455021 /nfs/dbraw/zinc/45/50/21/367455021.db2.gz VGOIWEYYBUXCLO-RWMBFGLXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@H]1CC1(C)C ZINC000381766521 367455459 /nfs/dbraw/zinc/45/54/59/367455459.db2.gz VGOIWEYYBUXCLO-XQQFMLRXSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@H]1CC1(C)C ZINC000381766523 367455062 /nfs/dbraw/zinc/45/50/62/367455062.db2.gz VGOIWEYYBUXCLO-YNEHKIRRSA-N 1 0 221.388 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000381768536 367455157 /nfs/dbraw/zinc/45/51/57/367455157.db2.gz VSPLWYFDDJIFPB-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000381768540 367455789 /nfs/dbraw/zinc/45/57/89/367455789.db2.gz VSPLWYFDDJIFPB-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000381768553 367455520 /nfs/dbraw/zinc/45/55/20/367455520.db2.gz VSPLWYFDDJIFPB-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000381768555 367455622 /nfs/dbraw/zinc/45/56/22/367455622.db2.gz VSPLWYFDDJIFPB-MJBXVCDLSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](OC)C(C)C)CC1 ZINC000381769904 398271490 /nfs/dbraw/zinc/27/14/90/398271490.db2.gz JFPRMASNAUJFJC-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](OC)C(C)C)CC1 ZINC000381769905 398271479 /nfs/dbraw/zinc/27/14/79/398271479.db2.gz JFPRMASNAUJFJC-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](OC)C(C)C)CC1 ZINC000381769906 398271484 /nfs/dbraw/zinc/27/14/84/398271484.db2.gz JFPRMASNAUJFJC-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](OC)C(C)C)CC1 ZINC000381769907 398271511 /nfs/dbraw/zinc/27/15/11/398271511.db2.gz JFPRMASNAUJFJC-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381770480 367455721 /nfs/dbraw/zinc/45/57/21/367455721.db2.gz YIGZXPZEPGQING-AAEUAGOBSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1 ZINC000381770482 346850476 /nfs/dbraw/zinc/85/04/76/346850476.db2.gz YIGZXPZEPGQING-DGCLKSJQSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1 ZINC000381770483 346850157 /nfs/dbraw/zinc/85/01/57/346850157.db2.gz YIGZXPZEPGQING-WCQYABFASA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381770485 346850304 /nfs/dbraw/zinc/85/03/04/346850304.db2.gz YIGZXPZEPGQING-YPMHNXCESA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC000381774174 346850854 /nfs/dbraw/zinc/85/08/54/346850854.db2.gz WOULGSZBWVXHIQ-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[C@@H](C)C1 ZINC000381774176 367456312 /nfs/dbraw/zinc/45/63/12/367456312.db2.gz WOULGSZBWVXHIQ-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO CO[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)C(C)C ZINC000381777900 367456938 /nfs/dbraw/zinc/45/69/38/367456938.db2.gz KQLHJAIZAZWYAB-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)C(C)C ZINC000381777903 367456206 /nfs/dbraw/zinc/45/62/06/367456206.db2.gz KQLHJAIZAZWYAB-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)C(C)C ZINC000381777905 367456591 /nfs/dbraw/zinc/45/65/91/367456591.db2.gz KQLHJAIZAZWYAB-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)C(C)C ZINC000381777908 367456571 /nfs/dbraw/zinc/45/65/71/367456571.db2.gz KQLHJAIZAZWYAB-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccoc1 ZINC000381783008 346859242 /nfs/dbraw/zinc/85/92/42/346859242.db2.gz YFXMOLIAFYILOO-DCBWTQNWSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccoc1 ZINC000381783009 346859517 /nfs/dbraw/zinc/85/95/17/346859517.db2.gz YFXMOLIAFYILOO-LKSINWNRSA-N 1 0 219.328 3.511 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]C2CCCC2)s1 ZINC000381791667 367457872 /nfs/dbraw/zinc/45/78/72/367457872.db2.gz AAVPOZOTOAQUJF-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CC2)cs1 ZINC000381792985 367457781 /nfs/dbraw/zinc/45/77/81/367457781.db2.gz SNMCXKPKIZWVHS-JTQLQIEISA-N 1 0 209.358 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)cs1 ZINC000381792990 367458383 /nfs/dbraw/zinc/45/83/83/367458383.db2.gz SNMCXKPKIZWVHS-SNVBAGLBSA-N 1 0 209.358 3.507 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+]CC2CCC2)s1 ZINC000381803600 367459712 /nfs/dbraw/zinc/45/97/12/367459712.db2.gz FCLVFURWTJNLRT-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)o2)CC1 ZINC000381812206 367459413 /nfs/dbraw/zinc/45/94/13/367459413.db2.gz HZDMMCPKHDVAOY-JOCQHMNTSA-N 1 0 221.344 3.646 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1csc(C)c1 ZINC000381837433 367462281 /nfs/dbraw/zinc/46/22/81/367462281.db2.gz YDRCSDPITFRODL-LLVKDONJSA-N 1 0 209.358 3.673 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381837436 367461977 /nfs/dbraw/zinc/46/19/77/367461977.db2.gz YDRCSDPITFRODL-NSHDSACASA-N 1 0 209.358 3.673 20 0 BHADRO CCCC(CCC)[NH2+]CCC1(OC)CCC1 ZINC000381842475 357940692 /nfs/dbraw/zinc/94/06/92/357940692.db2.gz CILVOYJHARBPFQ-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000381842741 367462401 /nfs/dbraw/zinc/46/24/01/367462401.db2.gz UWCHUFZQUAHPNJ-CYBMUJFWSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000381842742 367462274 /nfs/dbraw/zinc/46/22/74/367462274.db2.gz UWCHUFZQUAHPNJ-ZDUSSCGKSA-N 1 0 227.392 3.504 20 0 BHADRO Fc1cc(C[NH2+]C2(C3CC3)CC2)ccc1Cl ZINC000381848441 367462063 /nfs/dbraw/zinc/46/20/63/367462063.db2.gz RYCQQJMWBFBAPW-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381859217 367463652 /nfs/dbraw/zinc/46/36/52/367463652.db2.gz IOJZKXAIWSGLNZ-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381859219 367463304 /nfs/dbraw/zinc/46/33/04/367463304.db2.gz IOJZKXAIWSGLNZ-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381859221 367463584 /nfs/dbraw/zinc/46/35/84/367463584.db2.gz IOJZKXAIWSGLNZ-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381859229 367463842 /nfs/dbraw/zinc/46/38/42/367463842.db2.gz IOJZKXAIWSGLNZ-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000381860946 367464063 /nfs/dbraw/zinc/46/40/63/367464063.db2.gz DKTRJQVTRZHYIB-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000381860951 367464179 /nfs/dbraw/zinc/46/41/79/367464179.db2.gz DKTRJQVTRZHYIB-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000381860959 367463701 /nfs/dbraw/zinc/46/37/01/367463701.db2.gz DKTRJQVTRZHYIB-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000381860965 367463834 /nfs/dbraw/zinc/46/38/34/367463834.db2.gz DKTRJQVTRZHYIB-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1CC2CCC1CC2 ZINC000381862283 398255343 /nfs/dbraw/zinc/25/53/43/398255343.db2.gz ITUVHFGVWGTZOW-ABXWRUBCSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@H]1CC2CCC1CC2 ZINC000381862288 398255360 /nfs/dbraw/zinc/25/53/60/398255360.db2.gz ITUVHFGVWGTZOW-BLYZHGLHSA-N 1 0 227.367 3.541 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1CC2CCC1CC2 ZINC000381862292 398255162 /nfs/dbraw/zinc/25/51/62/398255162.db2.gz ITUVHFGVWGTZOW-GFJIZPEISA-N 1 0 227.367 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H]1CC2CCC1CC2 ZINC000381862298 398280368 /nfs/dbraw/zinc/28/03/68/398280368.db2.gz ITUVHFGVWGTZOW-RYSNWHEDSA-N 1 0 227.367 3.541 20 0 BHADRO CCC(CC)(CC)[NH2+]CCC1(OC)CCC1 ZINC000381863711 367464167 /nfs/dbraw/zinc/46/41/67/367464167.db2.gz IWEXKYPRKKASOR-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC000381873620 346901731 /nfs/dbraw/zinc/90/17/31/346901731.db2.gz ZISYITSCDJAHHE-HAQNSBGRSA-N 1 0 238.400 3.510 20 0 BHADRO FC(F)(F)C1CC([NH2+]C2CCCCCC2)C1 ZINC000381874569 367465377 /nfs/dbraw/zinc/46/53/77/367465377.db2.gz ZRTKNOJJAXCJEC-UHFFFAOYSA-N 1 0 235.293 3.640 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1C)C(C)C ZINC000381915175 367469738 /nfs/dbraw/zinc/46/97/38/367469738.db2.gz NQBNOQZCDDKXPN-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1C)C(C)C ZINC000381915178 367470258 /nfs/dbraw/zinc/47/02/58/367470258.db2.gz NQBNOQZCDDKXPN-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1C)C(C)C ZINC000381915180 367470102 /nfs/dbraw/zinc/47/01/02/367470102.db2.gz NQBNOQZCDDKXPN-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1C)C(C)C ZINC000381915183 367470109 /nfs/dbraw/zinc/47/01/09/367470109.db2.gz NQBNOQZCDDKXPN-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381917676 367469489 /nfs/dbraw/zinc/46/94/89/367469489.db2.gz NVVMLWNHZMRSEM-GMZKHCIJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381917678 367470091 /nfs/dbraw/zinc/47/00/91/367470091.db2.gz NVVMLWNHZMRSEM-HRDMENRUSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381917680 367470001 /nfs/dbraw/zinc/47/00/01/367470001.db2.gz NVVMLWNHZMRSEM-LFSIAQGGSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381917681 367470136 /nfs/dbraw/zinc/47/01/36/367470136.db2.gz NVVMLWNHZMRSEM-OESUJAFSSA-N 1 0 209.377 3.589 20 0 BHADRO CO[C@H](C[NH2+][C@H](c1ccccc1)C(C)C)C(C)C ZINC000381924711 367471098 /nfs/dbraw/zinc/47/10/98/367471098.db2.gz PRZZDAQJGHTXGT-CVEARBPZSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@@H](C[NH2+][C@H](c1ccccc1)C(C)C)C(C)C ZINC000381924713 367470983 /nfs/dbraw/zinc/47/09/83/367470983.db2.gz PRZZDAQJGHTXGT-HOTGVXAUSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@H](C[NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000381924714 367471026 /nfs/dbraw/zinc/47/10/26/367471026.db2.gz PRZZDAQJGHTXGT-HZPDHXFCSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000381924716 367471827 /nfs/dbraw/zinc/47/18/27/367471827.db2.gz PRZZDAQJGHTXGT-JKSUJKDBSA-N 1 0 249.398 3.644 20 0 BHADRO FC(F)(F)CCCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381931158 367473086 /nfs/dbraw/zinc/47/30/86/367473086.db2.gz QAXVOESCJWQXQA-HTAVTVPLSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381931159 367472526 /nfs/dbraw/zinc/47/25/26/367472526.db2.gz QAXVOESCJWQXQA-MCIGGMRASA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CC2CCC1CC2 ZINC000381933752 539008003 /nfs/dbraw/zinc/00/80/03/539008003.db2.gz RLTHFILEAUOGFO-CLTVBZQCSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000381933754 539008101 /nfs/dbraw/zinc/00/81/01/539008101.db2.gz RLTHFILEAUOGFO-LFUGVXIPSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CC2CCC1CC2 ZINC000381933756 539008152 /nfs/dbraw/zinc/00/81/52/539008152.db2.gz RLTHFILEAUOGFO-LPXQKFACSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000381933759 539008120 /nfs/dbraw/zinc/00/81/20/539008120.db2.gz RLTHFILEAUOGFO-XZNOPERXSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H]1C ZINC000381941814 355758712 /nfs/dbraw/zinc/75/87/12/355758712.db2.gz QXMJXMKRKXXHTH-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H]1C ZINC000381941822 367473981 /nfs/dbraw/zinc/47/39/81/367473981.db2.gz QXMJXMKRKXXHTH-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H]1C ZINC000381941824 367474197 /nfs/dbraw/zinc/47/41/97/367474197.db2.gz QXMJXMKRKXXHTH-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@H]1C ZINC000381941826 367474349 /nfs/dbraw/zinc/47/43/49/367474349.db2.gz QXMJXMKRKXXHTH-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CC2CCC1CC2 ZINC000381945101 710759511 /nfs/dbraw/zinc/75/95/11/710759511.db2.gz RIUOSCCGUUUETJ-BOTWNGJGSA-N 1 0 227.779 3.543 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CC2CCC1CC2 ZINC000381945111 710759587 /nfs/dbraw/zinc/75/95/87/710759587.db2.gz RIUOSCCGUUUETJ-IEWUOUGZSA-N 1 0 227.779 3.543 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CC2CCC1CC2 ZINC000381945114 710759747 /nfs/dbraw/zinc/75/97/47/710759747.db2.gz RIUOSCCGUUUETJ-JITVNENASA-N 1 0 227.779 3.543 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CC2CCC1CC2 ZINC000381945117 710760203 /nfs/dbraw/zinc/76/02/03/710760203.db2.gz RIUOSCCGUUUETJ-QGKZUZAMSA-N 1 0 227.779 3.543 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381950102 367473954 /nfs/dbraw/zinc/47/39/54/367473954.db2.gz RZTOXOJSHQYDQD-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381950105 355959756 /nfs/dbraw/zinc/95/97/56/355959756.db2.gz RZTOXOJSHQYDQD-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381950107 367473952 /nfs/dbraw/zinc/47/39/52/367473952.db2.gz RZTOXOJSHQYDQD-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381950108 367474074 /nfs/dbraw/zinc/47/40/74/367474074.db2.gz RZTOXOJSHQYDQD-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381953386 346965233 /nfs/dbraw/zinc/96/52/33/346965233.db2.gz SNXOCYXOVSOKOJ-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381953633 367474234 /nfs/dbraw/zinc/47/42/34/367474234.db2.gz SNXOCYXOVSOKOJ-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381953634 367474434 /nfs/dbraw/zinc/47/44/34/367474434.db2.gz SNXOCYXOVSOKOJ-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381953635 367474000 /nfs/dbraw/zinc/47/40/00/367474000.db2.gz SNXOCYXOVSOKOJ-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000381967756 346981100 /nfs/dbraw/zinc/98/11/00/346981100.db2.gz AWSDGZWNWIJTPP-HRDYMLBCSA-N 1 0 229.776 3.503 20 0 BHADRO CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000381967758 346981444 /nfs/dbraw/zinc/98/14/44/346981444.db2.gz AWSDGZWNWIJTPP-XHNCKOQMSA-N 1 0 229.776 3.503 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000381970465 346988076 /nfs/dbraw/zinc/98/80/76/346988076.db2.gz BUVOAZIHHPDUML-RGDJUOJXSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381970468 346987906 /nfs/dbraw/zinc/98/79/06/346987906.db2.gz BUVOAZIHHPDUML-RKQHYHRCSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381970477 367475705 /nfs/dbraw/zinc/47/57/05/367475705.db2.gz BUVOAZIHHPDUML-XWSJDDSLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000381970478 367475282 /nfs/dbraw/zinc/47/52/82/367475282.db2.gz BUVOAZIHHPDUML-ZLCQRPCESA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)C(C[NH2+]C[C@H]1CCCC1(F)F)C(C)C ZINC000381972611 367475691 /nfs/dbraw/zinc/47/56/91/367475691.db2.gz VUTOANJMEIONRN-GFCCVEGCSA-N 1 0 247.373 3.940 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H]1CCCC1(F)F)C(C)C ZINC000381972619 367474960 /nfs/dbraw/zinc/47/49/60/367474960.db2.gz VUTOANJMEIONRN-LBPRGKRZSA-N 1 0 247.373 3.940 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000381973242 398291114 /nfs/dbraw/zinc/29/11/14/398291114.db2.gz CQGZWOCCCPCHDM-UHFFFAOYSA-N 1 0 237.774 3.927 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCOCc1ccccc1 ZINC000381975435 346997983 /nfs/dbraw/zinc/99/79/83/346997983.db2.gz LKQGDXWYHYSCOI-CABCVRRESA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCOCc1ccccc1 ZINC000381975438 346997968 /nfs/dbraw/zinc/99/79/68/346997968.db2.gz LKQGDXWYHYSCOI-GJZGRUSLSA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCOCc1ccccc1 ZINC000381975439 346998100 /nfs/dbraw/zinc/99/81/00/346998100.db2.gz LKQGDXWYHYSCOI-HUUCEWRRSA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCOCc1ccccc1 ZINC000381975441 346998023 /nfs/dbraw/zinc/99/80/23/346998023.db2.gz LKQGDXWYHYSCOI-LSDHHAIUSA-N 1 0 249.398 3.618 20 0 BHADRO CC(C)CSCCC[NH2+]C1(C(C)C)CC1 ZINC000381976742 347003304 /nfs/dbraw/zinc/00/33/04/347003304.db2.gz AKIYNNNPYAGILJ-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc(O)c1Cl ZINC000381977644 367475537 /nfs/dbraw/zinc/47/55/37/367475537.db2.gz APDWYEMBZQDYAZ-JTQLQIEISA-N 1 0 241.762 3.524 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc(O)c1Cl ZINC000381977647 347006665 /nfs/dbraw/zinc/00/66/65/347006665.db2.gz APDWYEMBZQDYAZ-SNVBAGLBSA-N 1 0 241.762 3.524 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000381978187 710763299 /nfs/dbraw/zinc/76/32/99/710763299.db2.gz AMAKXUHYFYNWPY-ORHYLEIMSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000381978188 710762669 /nfs/dbraw/zinc/76/26/69/710762669.db2.gz AMAKXUHYFYNWPY-YIZWMMSDSA-N 1 0 235.396 3.725 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000381979226 710762922 /nfs/dbraw/zinc/76/29/22/710762922.db2.gz DUTMUOZYBNTWMK-GHMZBOCLSA-N 1 0 241.375 3.536 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000381979228 710762652 /nfs/dbraw/zinc/76/26/52/710762652.db2.gz DUTMUOZYBNTWMK-MNOVXSKESA-N 1 0 241.375 3.536 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000381979232 710762477 /nfs/dbraw/zinc/76/24/77/710762477.db2.gz DUTMUOZYBNTWMK-QWRGUYRKSA-N 1 0 241.375 3.536 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000381979234 710762790 /nfs/dbraw/zinc/76/27/90/710762790.db2.gz DUTMUOZYBNTWMK-WDEREUQCSA-N 1 0 241.375 3.536 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCC2(C)C)C1 ZINC000382005123 367478606 /nfs/dbraw/zinc/47/86/06/367478606.db2.gz ATYIEVCXPMHPDA-HTAVTVPLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCC2(C)C)C1 ZINC000382005128 367478457 /nfs/dbraw/zinc/47/84/57/367478457.db2.gz ATYIEVCXPMHPDA-MCIGGMRASA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000382007781 367478113 /nfs/dbraw/zinc/47/81/13/367478113.db2.gz BRONSMANCYXJNA-IKWCTNDRSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000382007783 367478700 /nfs/dbraw/zinc/47/87/00/367478700.db2.gz BRONSMANCYXJNA-WTIISPKJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000382007785 367478622 /nfs/dbraw/zinc/47/86/22/367478622.db2.gz BRONSMANCYXJNA-XVSSEFHLSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000382007787 367478638 /nfs/dbraw/zinc/47/86/38/367478638.db2.gz BRONSMANCYXJNA-YWPUVAFDSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000382008762 710765002 /nfs/dbraw/zinc/76/50/02/710765002.db2.gz CCJFPWPTNLPYPI-JTQLQIEISA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000382008768 710765935 /nfs/dbraw/zinc/76/59/35/710765935.db2.gz CCJFPWPTNLPYPI-SNVBAGLBSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)CC2CC2)CC1 ZINC000382018020 367478302 /nfs/dbraw/zinc/47/83/02/367478302.db2.gz PBXVKZXBNXZNHW-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)CC2CC2)CC1 ZINC000382018023 367478062 /nfs/dbraw/zinc/47/80/62/367478062.db2.gz PBXVKZXBNXZNHW-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1CCCCC1(F)F ZINC000382021868 367480304 /nfs/dbraw/zinc/48/03/04/367480304.db2.gz AULXEBDSXZBRGI-GFCCVEGCSA-N 1 0 233.346 3.838 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382021870 367479751 /nfs/dbraw/zinc/47/97/51/367479751.db2.gz AULXEBDSXZBRGI-LBPRGKRZSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)CC1 ZINC000382022441 347068397 /nfs/dbraw/zinc/06/83/97/347068397.db2.gz QWRWWKZAHHUUSP-YEORSEQZSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000382024014 367480184 /nfs/dbraw/zinc/48/01/84/367480184.db2.gz AEKSXFTYMSUEBC-WDNDVIMCSA-N 1 0 235.758 3.537 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382025133 710766926 /nfs/dbraw/zinc/76/69/26/710766926.db2.gz RSHOYBSIJQHYHZ-IJLUTSLNSA-N 1 0 247.423 3.777 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382025135 710767173 /nfs/dbraw/zinc/76/71/73/710767173.db2.gz RSHOYBSIJQHYHZ-QJPTWQEYSA-N 1 0 247.423 3.777 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C/C=C/Cl ZINC000382028145 710766694 /nfs/dbraw/zinc/76/66/94/710766694.db2.gz SRXFNBAKZHBIIE-RMKNXTFCSA-N 1 0 223.747 3.572 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C/C=C\Cl ZINC000382028147 710767291 /nfs/dbraw/zinc/76/72/91/710767291.db2.gz SRXFNBAKZHBIIE-TWGQIWQCSA-N 1 0 223.747 3.572 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382029500 347081193 /nfs/dbraw/zinc/08/11/93/347081193.db2.gz TWKJAXMPKSKTKA-IJLUTSLNSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382029515 367479651 /nfs/dbraw/zinc/47/96/51/367479651.db2.gz TWKJAXMPKSKTKA-QJPTWQEYSA-N 1 0 241.375 3.988 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382040403 347095956 /nfs/dbraw/zinc/09/59/56/347095956.db2.gz XKGWELPSUJCBMR-CYZMBNFOSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382040404 347095904 /nfs/dbraw/zinc/09/59/04/347095904.db2.gz XKGWELPSUJCBMR-RAIGVLPGSA-N 1 0 241.375 3.549 20 0 BHADRO CCSCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382041560 367481672 /nfs/dbraw/zinc/48/16/72/367481672.db2.gz DJXHJEBGWJBESQ-ABXWRUBCSA-N 1 0 241.444 3.544 20 0 BHADRO CCSCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382041570 367481192 /nfs/dbraw/zinc/48/11/92/367481192.db2.gz DJXHJEBGWJBESQ-BLYZHGLHSA-N 1 0 241.444 3.544 20 0 BHADRO CCSCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382041573 357337056 /nfs/dbraw/zinc/33/70/56/357337056.db2.gz DJXHJEBGWJBESQ-GFJIZPEISA-N 1 0 241.444 3.544 20 0 BHADRO CCSCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382041575 367481219 /nfs/dbraw/zinc/48/12/19/367481219.db2.gz DJXHJEBGWJBESQ-RYSNWHEDSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@H]1CC2CCC1CC2 ZINC000382043454 367481274 /nfs/dbraw/zinc/48/12/74/367481274.db2.gz DQXXOOXPNQJOEJ-QGWICBSBSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000382043457 367481819 /nfs/dbraw/zinc/48/18/19/367481819.db2.gz DQXXOOXPNQJOEJ-UMAWHMLESA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CC2CCC1CC2 ZINC000382043458 367480956 /nfs/dbraw/zinc/48/09/56/367480956.db2.gz DQXXOOXPNQJOEJ-WRXUVALTSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC2CCC1CC2)C1CC1 ZINC000382043459 367482098 /nfs/dbraw/zinc/48/20/98/367482098.db2.gz DQXXOOXPNQJOEJ-XDYOQJMGSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@@H]1CC2CCC1CC2 ZINC000382044926 398300677 /nfs/dbraw/zinc/30/06/77/398300677.db2.gz DWRLJQDBIBVLAN-CLTVBZQCSA-N 1 0 219.372 3.509 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@H]1CC2CCC1CC2 ZINC000382044943 398300696 /nfs/dbraw/zinc/30/06/96/398300696.db2.gz DWRLJQDBIBVLAN-LFUGVXIPSA-N 1 0 219.372 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@@H]1CC2CCC1CC2 ZINC000382044945 398300769 /nfs/dbraw/zinc/30/07/69/398300769.db2.gz DWRLJQDBIBVLAN-LPXQKFACSA-N 1 0 219.372 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@H]1CC2CCC1CC2 ZINC000382044946 398300774 /nfs/dbraw/zinc/30/07/74/398300774.db2.gz DWRLJQDBIBVLAN-XZNOPERXSA-N 1 0 219.372 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cscn1 ZINC000382047816 357341835 /nfs/dbraw/zinc/34/18/35/357341835.db2.gz CLLUDTCSZQDMFZ-KPPDAEKUSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cscn1 ZINC000382047824 347104783 /nfs/dbraw/zinc/10/47/83/347104783.db2.gz CLLUDTCSZQDMFZ-WHXUTIOJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382048856 367481425 /nfs/dbraw/zinc/48/14/25/367481425.db2.gz CXIIUCHUEHCTEH-GRYCIOLGSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382048857 367482021 /nfs/dbraw/zinc/48/20/21/367482021.db2.gz CXIIUCHUEHCTEH-SDDRHHMPSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CC[C@@H](C)F ZINC000382048874 367481896 /nfs/dbraw/zinc/48/18/96/367481896.db2.gz CXJRKDUXWPSSLF-GFCCVEGCSA-N 1 0 223.335 3.568 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CC[C@H](C)F ZINC000382048877 367481756 /nfs/dbraw/zinc/48/17/56/367481756.db2.gz CXJRKDUXWPSSLF-LBPRGKRZSA-N 1 0 223.335 3.568 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382049036 374182458 /nfs/dbraw/zinc/18/24/58/374182458.db2.gz CZEAGCPIHFHCEL-JHJVBQTASA-N 1 0 215.356 3.826 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382049039 374182058 /nfs/dbraw/zinc/18/20/58/374182058.db2.gz CZEAGCPIHFHCEL-YNEHKIRRSA-N 1 0 215.356 3.826 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382049505 347078142 /nfs/dbraw/zinc/07/81/42/347078142.db2.gz FMALXWJWMIBJPS-GMZKHCIJSA-N 1 0 241.444 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382049507 347078113 /nfs/dbraw/zinc/07/81/13/347078113.db2.gz FMALXWJWMIBJPS-HRDMENRUSA-N 1 0 241.444 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382049508 347078647 /nfs/dbraw/zinc/07/86/47/347078647.db2.gz FMALXWJWMIBJPS-LFSIAQGGSA-N 1 0 241.444 3.542 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382049509 347078253 /nfs/dbraw/zinc/07/82/53/347078253.db2.gz FMALXWJWMIBJPS-OESUJAFSSA-N 1 0 241.444 3.542 20 0 BHADRO CSCCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382051239 347078373 /nfs/dbraw/zinc/07/83/73/347078373.db2.gz FQZVOUOPGGOLCE-ABXWRUBCSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382051244 347078631 /nfs/dbraw/zinc/07/86/31/347078631.db2.gz FQZVOUOPGGOLCE-BLYZHGLHSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382051246 347078422 /nfs/dbraw/zinc/07/84/22/347078422.db2.gz FQZVOUOPGGOLCE-GFJIZPEISA-N 1 0 241.444 3.544 20 0 BHADRO CSCCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382051248 347078662 /nfs/dbraw/zinc/07/86/62/347078662.db2.gz FQZVOUOPGGOLCE-RYSNWHEDSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C[NH2+]CCc1cc2ccccc2s1 ZINC000382051704 367481621 /nfs/dbraw/zinc/48/16/21/367481621.db2.gz APJXTVOORPMNFM-UHFFFAOYSA-N 1 0 233.380 3.689 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000382052603 367482969 /nfs/dbraw/zinc/48/29/69/367482969.db2.gz AQTOOLXDVNCODT-UHFFFAOYSA-N 1 0 227.298 3.544 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000382058993 347120348 /nfs/dbraw/zinc/12/03/48/347120348.db2.gz CAAMEBOUUUURGP-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000382058994 347120000 /nfs/dbraw/zinc/12/00/00/347120000.db2.gz CAAMEBOUUUURGP-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(C)n1)c1ccsc1 ZINC000382061400 367482683 /nfs/dbraw/zinc/48/26/83/367482683.db2.gz ARQNKSGCVJFLGK-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccsc1 ZINC000382061404 367482507 /nfs/dbraw/zinc/48/25/07/367482507.db2.gz ARQNKSGCVJFLGK-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC(F)(F)CC[NH2+]C1CCCCCCC1 ZINC000382061791 710770409 /nfs/dbraw/zinc/77/04/09/710770409.db2.gz CPGQIDJPUIPIIV-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO CC(C)(CC[NH2+]C1CCCCC1)C1CC1 ZINC000382064528 367482631 /nfs/dbraw/zinc/48/26/31/367482631.db2.gz QPXZRWVDIGESEN-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1csc(C[NH2+]C[C@H](C)CC(C)C)c1 ZINC000382068607 367482224 /nfs/dbraw/zinc/48/22/24/367482224.db2.gz FGSKPTLOZSZREO-LLVKDONJSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H](C)CC(C)C)c1 ZINC000382068611 367482607 /nfs/dbraw/zinc/48/26/07/367482607.db2.gz FGSKPTLOZSZREO-NSHDSACASA-N 1 0 225.401 3.828 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccsc1 ZINC000382070812 398304396 /nfs/dbraw/zinc/30/43/96/398304396.db2.gz CDSDZKXVAVMLEF-GWCFXTLKSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccsc1 ZINC000382070814 398304173 /nfs/dbraw/zinc/30/41/73/398304173.db2.gz CDSDZKXVAVMLEF-GXFFZTMASA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccsc1 ZINC000382070817 398304249 /nfs/dbraw/zinc/30/42/49/398304249.db2.gz CDSDZKXVAVMLEF-MFKMUULPSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccsc1 ZINC000382070824 398304463 /nfs/dbraw/zinc/30/44/63/398304463.db2.gz CDSDZKXVAVMLEF-ZWNOBZJWSA-N 1 0 223.385 3.835 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000382071807 347133826 /nfs/dbraw/zinc/13/38/26/347133826.db2.gz GEEAOYSNSVVKRK-CMPLNLGQSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000382071808 347133776 /nfs/dbraw/zinc/13/37/76/347133776.db2.gz GEEAOYSNSVVKRK-JQWIXIFHSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000382071809 347133811 /nfs/dbraw/zinc/13/38/11/347133811.db2.gz GEEAOYSNSVVKRK-PWSUYJOCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000382071811 347133551 /nfs/dbraw/zinc/13/35/51/347133551.db2.gz GEEAOYSNSVVKRK-ZYHUDNBSSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000382072554 367484601 /nfs/dbraw/zinc/48/46/01/367484601.db2.gz ZKOSJIRTNLVNJK-JCYILVPMSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000382072555 367483863 /nfs/dbraw/zinc/48/38/63/367483863.db2.gz ZKOSJIRTNLVNJK-OFLPRAFFSA-N 1 0 243.394 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000382073067 398304324 /nfs/dbraw/zinc/30/43/24/398304324.db2.gz HHTPNKMLEVVSNW-AZNFHQGKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000382073078 398304308 /nfs/dbraw/zinc/30/43/08/398304308.db2.gz HHTPNKMLEVVSNW-CSHXNDRBSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000382073082 398304245 /nfs/dbraw/zinc/30/42/45/398304245.db2.gz HHTPNKMLEVVSNW-IVCMEMIISA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000382073088 398304191 /nfs/dbraw/zinc/30/41/91/398304191.db2.gz HHTPNKMLEVVSNW-JXIHMDKWSA-N 1 0 221.388 3.589 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)c1ccsc1 ZINC000382073286 367483819 /nfs/dbraw/zinc/48/38/19/367483819.db2.gz CPLKILIOXNHGTN-LLVKDONJSA-N 1 0 215.337 3.539 20 0 BHADRO CC[C@H]([NH2+]CCCCF)c1ccsc1 ZINC000382073288 367484021 /nfs/dbraw/zinc/48/40/21/367484021.db2.gz CPLKILIOXNHGTN-NSHDSACASA-N 1 0 215.337 3.539 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382074125 347188411 /nfs/dbraw/zinc/18/84/11/347188411.db2.gz HLKDTTFSOXYVEF-AYZDXNEBSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382074128 347188692 /nfs/dbraw/zinc/18/86/92/347188692.db2.gz HLKDTTFSOXYVEF-CJQNXBEJSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382074130 347188564 /nfs/dbraw/zinc/18/85/64/347188564.db2.gz HLKDTTFSOXYVEF-KPHYFBGPSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382074131 347188490 /nfs/dbraw/zinc/18/84/90/347188490.db2.gz HLKDTTFSOXYVEF-XPXVYLNCSA-N 1 0 241.444 3.542 20 0 BHADRO CCSCCC[NH2+][C@H](CC)c1ccsc1 ZINC000382074803 367483740 /nfs/dbraw/zinc/48/37/40/367483740.db2.gz CXFHMAMLGDZACP-GFCCVEGCSA-N 1 0 243.441 3.932 20 0 BHADRO CCSCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000382074818 367483705 /nfs/dbraw/zinc/48/37/05/367483705.db2.gz CXFHMAMLGDZACP-LBPRGKRZSA-N 1 0 243.441 3.932 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000382076198 398255948 /nfs/dbraw/zinc/25/59/48/398255948.db2.gz HFEZAEGKZGRGBJ-LLVKDONJSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1csc(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000382076202 398255966 /nfs/dbraw/zinc/25/59/66/398255966.db2.gz HFEZAEGKZGRGBJ-NSHDSACASA-N 1 0 225.401 3.828 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000382076236 398304128 /nfs/dbraw/zinc/30/41/28/398304128.db2.gz HFLGYSMKMZQNQX-GFCCVEGCSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000382076246 398304287 /nfs/dbraw/zinc/30/42/87/398304287.db2.gz HFLGYSMKMZQNQX-LBPRGKRZSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C(C)(C)C ZINC000382076305 367484238 /nfs/dbraw/zinc/48/42/38/367484238.db2.gz HOWQJLNVQYDTEJ-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C(C)(C)C ZINC000382076306 367484312 /nfs/dbraw/zinc/48/43/12/367484312.db2.gz HOWQJLNVQYDTEJ-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C(C)(C)C ZINC000382076307 367484616 /nfs/dbraw/zinc/48/46/16/367484616.db2.gz HOWQJLNVQYDTEJ-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C(C)(C)C ZINC000382076308 367484177 /nfs/dbraw/zinc/48/41/77/367484177.db2.gz HOWQJLNVQYDTEJ-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccsc1 ZINC000382080322 367484403 /nfs/dbraw/zinc/48/44/03/367484403.db2.gz FDHHWUSJXCHHNM-CMPLNLGQSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC)c1ccsc1 ZINC000382080328 367484034 /nfs/dbraw/zinc/48/40/34/367484034.db2.gz FDHHWUSJXCHHNM-JQWIXIFHSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccsc1 ZINC000382080329 367483652 /nfs/dbraw/zinc/48/36/52/367483652.db2.gz FDHHWUSJXCHHNM-PWSUYJOCSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC)c1ccsc1 ZINC000382080330 367484321 /nfs/dbraw/zinc/48/43/21/367484321.db2.gz FDHHWUSJXCHHNM-ZYHUDNBSSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccsc1 ZINC000382082493 397868196 /nfs/dbraw/zinc/86/81/96/397868196.db2.gz FPGQFWPLCZFQHR-GWCFXTLKSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccsc1 ZINC000382082498 398304779 /nfs/dbraw/zinc/30/47/79/398304779.db2.gz FPGQFWPLCZFQHR-GXFFZTMASA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccsc1 ZINC000382082504 398304932 /nfs/dbraw/zinc/30/49/32/398304932.db2.gz FPGQFWPLCZFQHR-MFKMUULPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccsc1 ZINC000382082506 398304903 /nfs/dbraw/zinc/30/49/03/398304903.db2.gz FPGQFWPLCZFQHR-ZWNOBZJWSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccsc1 ZINC000382084043 347148573 /nfs/dbraw/zinc/14/85/73/347148573.db2.gz FXMSLGZEEWRMLQ-CYBMUJFWSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccsc1 ZINC000382084056 367483949 /nfs/dbraw/zinc/48/39/49/367483949.db2.gz FXMSLGZEEWRMLQ-ZDUSSCGKSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000382084219 367484066 /nfs/dbraw/zinc/48/40/66/367484066.db2.gz JFUZZCGLGNQAQX-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000382084220 367484608 /nfs/dbraw/zinc/48/46/08/367484608.db2.gz JFUZZCGLGNQAQX-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCC1 ZINC000382084684 367483942 /nfs/dbraw/zinc/48/39/42/367483942.db2.gz IJUTVAAMEWPZGT-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCC1 ZINC000382084685 367484459 /nfs/dbraw/zinc/48/44/59/367484459.db2.gz IJUTVAAMEWPZGT-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CCC1 ZINC000382084686 367483764 /nfs/dbraw/zinc/48/37/64/367483764.db2.gz IJUTVAAMEWPZGT-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CCC1 ZINC000382084687 367483884 /nfs/dbraw/zinc/48/38/84/367483884.db2.gz IJUTVAAMEWPZGT-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1csc(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000382085442 347148097 /nfs/dbraw/zinc/14/80/97/347148097.db2.gz JTKPCOKYROMGKV-UHFFFAOYSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000382085632 710775223 /nfs/dbraw/zinc/77/52/23/710775223.db2.gz FXRPAUTZVRZZDA-CQAJOBRHSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000382085641 710775395 /nfs/dbraw/zinc/77/53/95/710775395.db2.gz FXRPAUTZVRZZDA-NAPUDNINSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382085644 710775708 /nfs/dbraw/zinc/77/57/08/710775708.db2.gz FXRPAUTZVRZZDA-QKBYSORXSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382085647 710774568 /nfs/dbraw/zinc/77/45/68/710774568.db2.gz FXRPAUTZVRZZDA-RLHNMQKVSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CC1)c1ccsc1 ZINC000382086080 367484412 /nfs/dbraw/zinc/48/44/12/367484412.db2.gz GIHMHNACIRDZMB-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CC1)c1ccsc1 ZINC000382086083 367484451 /nfs/dbraw/zinc/48/44/51/367484451.db2.gz GIHMHNACIRDZMB-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382087269 367484157 /nfs/dbraw/zinc/48/41/57/367484157.db2.gz IQDRXTTYDSUNCY-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382087271 367484433 /nfs/dbraw/zinc/48/44/33/367484433.db2.gz IQDRXTTYDSUNCY-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382087272 367483548 /nfs/dbraw/zinc/48/35/48/367483548.db2.gz IQDRXTTYDSUNCY-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382087273 367484484 /nfs/dbraw/zinc/48/44/84/367484484.db2.gz IQDRXTTYDSUNCY-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccsc1 ZINC000382088216 347151658 /nfs/dbraw/zinc/15/16/58/347151658.db2.gz GTLWHEPZVPNTFF-NEPJUHHUSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccsc1 ZINC000382088218 347151815 /nfs/dbraw/zinc/15/18/15/347151815.db2.gz GTLWHEPZVPNTFF-NWDGAFQWSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccsc1 ZINC000382088220 347152196 /nfs/dbraw/zinc/15/21/96/347152196.db2.gz GTLWHEPZVPNTFF-RYUDHWBXSA-N 1 0 223.385 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccsc1 ZINC000382088221 347151684 /nfs/dbraw/zinc/15/16/84/347151684.db2.gz GTLWHEPZVPNTFF-VXGBXAGGSA-N 1 0 223.385 3.835 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)CC1 ZINC000382091680 398255970 /nfs/dbraw/zinc/25/59/70/398255970.db2.gz LLNSJUYBALMVSM-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(F)F)CC1 ZINC000382091681 398255870 /nfs/dbraw/zinc/25/58/70/398255870.db2.gz LLNSJUYBALMVSM-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCC(C)(F)F)CC1 ZINC000382091682 398256066 /nfs/dbraw/zinc/25/60/66/398256066.db2.gz LLNSJUYBALMVSM-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)CC1 ZINC000382091683 398255798 /nfs/dbraw/zinc/25/57/98/398255798.db2.gz LLNSJUYBALMVSM-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000382093519 398303627 /nfs/dbraw/zinc/30/36/27/398303627.db2.gz HTKZLOKFDBCPGG-CMPLNLGQSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382093520 398303787 /nfs/dbraw/zinc/30/37/87/398303787.db2.gz HTKZLOKFDBCPGG-JQWIXIFHSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382093523 398303733 /nfs/dbraw/zinc/30/37/33/398303733.db2.gz HTKZLOKFDBCPGG-PWSUYJOCSA-N 1 0 211.374 3.977 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000382093524 398303802 /nfs/dbraw/zinc/30/38/02/398303802.db2.gz HTKZLOKFDBCPGG-ZYHUDNBSSA-N 1 0 211.374 3.977 20 0 BHADRO C(CC1CCC1)[NH2+][C@H]1CCCC12CCCC2 ZINC000382093971 710775338 /nfs/dbraw/zinc/77/53/38/710775338.db2.gz ZRBFGFKBRYNKPG-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(CC1CCC1)[NH2+][C@@H]1CCCC12CCCC2 ZINC000382093972 710774597 /nfs/dbraw/zinc/77/45/97/710774597.db2.gz ZRBFGFKBRYNKPG-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO Cc1sccc1C[NH2+]CCC(C)(C)C1CC1 ZINC000382093981 367485371 /nfs/dbraw/zinc/48/53/71/367485371.db2.gz ZRDJPRWEHFEARQ-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000382095568 710774921 /nfs/dbraw/zinc/77/49/21/710774921.db2.gz HVPDVBUAGMINCA-AMHPFXDVSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000382095569 710775387 /nfs/dbraw/zinc/77/53/87/710775387.db2.gz HVPDVBUAGMINCA-DMVUBFGOSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000382095571 710775186 /nfs/dbraw/zinc/77/51/86/710775186.db2.gz HVPDVBUAGMINCA-FZXGMECOSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000382095572 710775135 /nfs/dbraw/zinc/77/51/35/710775135.db2.gz HVPDVBUAGMINCA-MICXKLAISA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]([NH2+]CCCCCOC)c1ccsc1 ZINC000382095843 347160915 /nfs/dbraw/zinc/16/09/15/347160915.db2.gz IDHQDFBDFCVCEG-CYBMUJFWSA-N 1 0 241.400 3.606 20 0 BHADRO CC[C@H]([NH2+]CCCCCOC)c1ccsc1 ZINC000382095852 367485830 /nfs/dbraw/zinc/48/58/30/367485830.db2.gz IDHQDFBDFCVCEG-ZDUSSCGKSA-N 1 0 241.400 3.606 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CC2CCC1CC2 ZINC000382096672 710776960 /nfs/dbraw/zinc/77/69/60/710776960.db2.gz IBMCZAXXCRLWQQ-BPCQOVAHSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000382096674 710776860 /nfs/dbraw/zinc/77/68/60/710776860.db2.gz IBMCZAXXCRLWQQ-WXRRBKDZSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000382096677 710776132 /nfs/dbraw/zinc/77/61/32/710776132.db2.gz IBMOFPLRCIIORC-JXQTWKCFSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000382096680 710776694 /nfs/dbraw/zinc/77/66/94/710776694.db2.gz IBMOFPLRCIIORC-RUXDESIVSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)C1([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000382099209 398305498 /nfs/dbraw/zinc/30/54/98/398305498.db2.gz FWJBIBPIDURVES-CYBMUJFWSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C1([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000382099210 398305451 /nfs/dbraw/zinc/30/54/51/398305451.db2.gz FWJBIBPIDURVES-ZDUSSCGKSA-N 1 0 217.356 3.568 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccccc2)CC1 ZINC000382100075 347166037 /nfs/dbraw/zinc/16/60/37/347166037.db2.gz GGISQPUUQIAFND-GFCCVEGCSA-N 1 0 203.329 3.526 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000382100080 347165540 /nfs/dbraw/zinc/16/55/40/347165540.db2.gz GGISQPUUQIAFND-LBPRGKRZSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000382100777 347171301 /nfs/dbraw/zinc/17/13/01/347171301.db2.gz GPRYMUBOPNSNTF-HLTSFMKQSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000382100778 357354125 /nfs/dbraw/zinc/35/41/25/357354125.db2.gz GPRYMUBOPNSNTF-YIZRAAEISA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000382102298 347172623 /nfs/dbraw/zinc/17/26/23/347172623.db2.gz HATZHKFPCLWTRB-BIMULSAOSA-N 1 0 241.737 3.881 20 0 BHADRO C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCCC1 ZINC000382102390 367485413 /nfs/dbraw/zinc/48/54/13/367485413.db2.gz HCFCDXGDAZDRQA-RRFJBIMHSA-N 1 0 221.388 3.735 20 0 BHADRO C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCCC1 ZINC000382102392 367486049 /nfs/dbraw/zinc/48/60/49/367486049.db2.gz HCFCDXGDAZDRQA-ZNMIVQPWSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1ccsc1 ZINC000382105410 367485742 /nfs/dbraw/zinc/48/57/42/367485742.db2.gz JWIRBDDZONAPEV-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1ccsc1 ZINC000382105411 367486088 /nfs/dbraw/zinc/48/60/88/367486088.db2.gz JWIRBDDZONAPEV-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]Cc1cnccc1C)c1ccsc1 ZINC000382107173 367487545 /nfs/dbraw/zinc/48/75/45/367487545.db2.gz KDZGAOUKNRFSBB-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnccc1C)c1ccsc1 ZINC000382107175 367487413 /nfs/dbraw/zinc/48/74/13/367487413.db2.gz KDZGAOUKNRFSBB-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC(C)C1([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000382107203 347181077 /nfs/dbraw/zinc/18/10/77/347181077.db2.gz IVMCXUASHGZZPG-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccsc1 ZINC000382109439 347183600 /nfs/dbraw/zinc/18/36/00/347183600.db2.gz KPBKNEQTMOPSMQ-CHWSQXEVSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccsc1 ZINC000382109440 347183568 /nfs/dbraw/zinc/18/35/68/347183568.db2.gz KPBKNEQTMOPSMQ-OLZOCXBDSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccsc1 ZINC000382109441 347183775 /nfs/dbraw/zinc/18/37/75/347183775.db2.gz KPBKNEQTMOPSMQ-QWHCGFSZSA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccsc1 ZINC000382109442 347183540 /nfs/dbraw/zinc/18/35/40/347183540.db2.gz KPBKNEQTMOPSMQ-STQMWFEESA-N 1 0 221.369 3.898 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000382110040 367487334 /nfs/dbraw/zinc/48/73/34/367487334.db2.gz QRPAMHJMELNTCB-ATGSNQNLSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000382110041 367487533 /nfs/dbraw/zinc/48/75/33/367487533.db2.gz QRPAMHJMELNTCB-REBRKWNGSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000382110043 367487670 /nfs/dbraw/zinc/48/76/70/367487670.db2.gz QRPAMHJMELNTCB-RZFFKMDDSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1CC(C(C)(C)C)C1 ZINC000382110927 367486989 /nfs/dbraw/zinc/48/69/89/367486989.db2.gz QXUYLRDEVAHUJU-IDKOKCKLSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1CC(C(C)(C)C)C1 ZINC000382110928 367486943 /nfs/dbraw/zinc/48/69/43/367486943.db2.gz QXUYLRDEVAHUJU-XNWIYYODSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccsc1 ZINC000382111011 367487404 /nfs/dbraw/zinc/48/74/04/367487404.db2.gz KUXLBGVYBZDKIE-GHMZBOCLSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccsc1 ZINC000382111012 367487128 /nfs/dbraw/zinc/48/71/28/367487128.db2.gz KUXLBGVYBZDKIE-MNOVXSKESA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccsc1 ZINC000382111013 367486915 /nfs/dbraw/zinc/48/69/15/367486915.db2.gz KUXLBGVYBZDKIE-QWRGUYRKSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccsc1 ZINC000382111014 367487044 /nfs/dbraw/zinc/48/70/44/367487044.db2.gz KUXLBGVYBZDKIE-WDEREUQCSA-N 1 0 209.358 3.587 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382111309 367486754 /nfs/dbraw/zinc/48/67/54/367486754.db2.gz KNOLIGSVDCPKHV-UPJWGTAASA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382111310 367487071 /nfs/dbraw/zinc/48/70/71/367487071.db2.gz KNOLIGSVDCPKHV-XQQFMLRXSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@H]2CC=CCC2)C1 ZINC000382111818 347332029 /nfs/dbraw/zinc/33/20/29/347332029.db2.gz KSNGGPJHGVDAGC-HSBZDZAISA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000382111822 347332162 /nfs/dbraw/zinc/33/21/62/347332162.db2.gz KSNGGPJHGVDAGC-IYXRBSQSSA-N 1 0 221.388 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C1(C)CC1 ZINC000382111900 367487358 /nfs/dbraw/zinc/48/73/58/367487358.db2.gz KTEONNRGNYCZDJ-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)C1(C)CC1 ZINC000382111903 367486765 /nfs/dbraw/zinc/48/67/65/367486765.db2.gz KTEONNRGNYCZDJ-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C1(C)CC1 ZINC000382111906 367487612 /nfs/dbraw/zinc/48/76/12/367487612.db2.gz KTEONNRGNYCZDJ-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C1(C)CC1 ZINC000382111909 367487573 /nfs/dbraw/zinc/48/75/73/367487573.db2.gz KTEONNRGNYCZDJ-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC1CCC([NH2+]CC(C)(F)F)CC1 ZINC000382112611 367486760 /nfs/dbraw/zinc/48/67/60/367486760.db2.gz LBDGVYUMTYNAMX-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](F)CC[NH2+]CC1(C)CCCCCC1 ZINC000382113382 384675392 /nfs/dbraw/zinc/67/53/92/384675392.db2.gz RNZWDVFCIRTEDS-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H](F)CC[NH2+]CC1(C)CCCCCC1 ZINC000382113384 384677469 /nfs/dbraw/zinc/67/74/69/384677469.db2.gz RNZWDVFCIRTEDS-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccsc1 ZINC000382113645 367487053 /nfs/dbraw/zinc/48/70/53/367487053.db2.gz LJKOFCVXAVKBKC-GWCFXTLKSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccsc1 ZINC000382113646 367487447 /nfs/dbraw/zinc/48/74/47/367487447.db2.gz LJKOFCVXAVKBKC-GXFFZTMASA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccsc1 ZINC000382113648 367488447 /nfs/dbraw/zinc/48/84/47/367488447.db2.gz LJKOFCVXAVKBKC-MFKMUULPSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccsc1 ZINC000382113654 347188389 /nfs/dbraw/zinc/18/83/89/347188389.db2.gz LJKOFCVXAVKBKC-ZWNOBZJWSA-N 1 0 223.385 3.977 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c(C)s1 ZINC000382114836 347332093 /nfs/dbraw/zinc/33/20/93/347332093.db2.gz LQQVFZUYFKVYAD-WQAKAFBOSA-N 1 0 241.375 3.906 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2ccc(Cl)o2)C1 ZINC000382115750 347191732 /nfs/dbraw/zinc/19/17/32/347191732.db2.gz MDAHVPMHGOKKJN-UHFFFAOYSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CC[C@@H](C)F ZINC000382117187 367488737 /nfs/dbraw/zinc/48/87/37/367488737.db2.gz MKUFDUWNFAEHAZ-GFCCVEGCSA-N 1 0 217.372 3.785 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CC[C@H](C)F ZINC000382117191 347191456 /nfs/dbraw/zinc/19/14/56/347191456.db2.gz MKUFDUWNFAEHAZ-LBPRGKRZSA-N 1 0 217.372 3.785 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000382117454 347191243 /nfs/dbraw/zinc/19/12/43/347191243.db2.gz MQBUIIDISZXCCK-CLRIEMFWSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccsc1 ZINC000382117654 367488899 /nfs/dbraw/zinc/48/88/99/367488899.db2.gz MAPZMDTZLLGLPL-ADEWGFFLSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccsc1 ZINC000382117655 367488731 /nfs/dbraw/zinc/48/87/31/367488731.db2.gz MAPZMDTZLLGLPL-DLOVCJGASA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccsc1 ZINC000382117657 367488637 /nfs/dbraw/zinc/48/86/37/367488637.db2.gz MAPZMDTZLLGLPL-USWWRNFRSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccsc1 ZINC000382117658 367488363 /nfs/dbraw/zinc/48/83/63/367488363.db2.gz MAPZMDTZLLGLPL-ZMLRMANQSA-N 1 0 209.358 3.587 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccsc1 ZINC000382122936 367488317 /nfs/dbraw/zinc/48/83/17/367488317.db2.gz NDANBDSOOGOKGT-DRZSPHRISA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000382122938 367488954 /nfs/dbraw/zinc/48/89/54/367488954.db2.gz NDANBDSOOGOKGT-RTXFEEFZSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccsc1 ZINC000382122940 367488266 /nfs/dbraw/zinc/48/82/66/367488266.db2.gz NDANBDSOOGOKGT-UHTWSYAYSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccsc1 ZINC000382122942 367488684 /nfs/dbraw/zinc/48/86/84/367488684.db2.gz NDANBDSOOGOKGT-WXHSDQCUSA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC1(C)C ZINC000382126684 347192323 /nfs/dbraw/zinc/19/23/23/347192323.db2.gz VOMBROAXJGKTQM-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC1(C)C ZINC000382126685 347192126 /nfs/dbraw/zinc/19/21/26/347192126.db2.gz VOMBROAXJGKTQM-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC1(C)C ZINC000382126686 347192067 /nfs/dbraw/zinc/19/20/67/347192067.db2.gz VOMBROAXJGKTQM-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC1(C)C ZINC000382126687 347192227 /nfs/dbraw/zinc/19/22/27/347192227.db2.gz VOMBROAXJGKTQM-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1ccsc1 ZINC000382126891 357360817 /nfs/dbraw/zinc/36/08/17/357360817.db2.gz NWPKROCQOFTOMU-GFCCVEGCSA-N 1 0 211.374 3.979 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000382126893 367488297 /nfs/dbraw/zinc/48/82/97/367488297.db2.gz NWPKROCQOFTOMU-LBPRGKRZSA-N 1 0 211.374 3.979 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1ccsc1 ZINC000382126931 710797904 /nfs/dbraw/zinc/79/79/04/710797904.db2.gz NXAYRMUDLQOZAH-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1ccsc1 ZINC000382126933 710798138 /nfs/dbraw/zinc/79/81/38/710798138.db2.gz NXAYRMUDLQOZAH-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccsc1 ZINC000382127580 367488856 /nfs/dbraw/zinc/48/88/56/367488856.db2.gz OAKQIQPMVMYOGB-NEPJUHHUSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccsc1 ZINC000382127581 367489471 /nfs/dbraw/zinc/48/94/71/367489471.db2.gz OAKQIQPMVMYOGB-NWDGAFQWSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccsc1 ZINC000382127582 367489456 /nfs/dbraw/zinc/48/94/56/367489456.db2.gz OAKQIQPMVMYOGB-RYUDHWBXSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccsc1 ZINC000382127583 367489681 /nfs/dbraw/zinc/48/96/81/367489681.db2.gz OAKQIQPMVMYOGB-VXGBXAGGSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C(C)C ZINC000382127888 367489712 /nfs/dbraw/zinc/48/97/12/367489712.db2.gz MIELHHOVBWOAED-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C(C)C ZINC000382127889 367489612 /nfs/dbraw/zinc/48/96/12/367489612.db2.gz MIELHHOVBWOAED-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C(C)C ZINC000382127890 367489808 /nfs/dbraw/zinc/48/98/08/367489808.db2.gz MIELHHOVBWOAED-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C(C)C ZINC000382127891 367489930 /nfs/dbraw/zinc/48/99/30/367489930.db2.gz MIELHHOVBWOAED-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000382128646 367489958 /nfs/dbraw/zinc/48/99/58/367489958.db2.gz MJNNCSTWEYQJPA-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000382128647 367489864 /nfs/dbraw/zinc/48/98/64/367489864.db2.gz MJNNCSTWEYQJPA-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000382128648 367489565 /nfs/dbraw/zinc/48/95/65/367489565.db2.gz MJNNCSTWEYQJPA-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000382128650 367489962 /nfs/dbraw/zinc/48/99/62/367489962.db2.gz MJNNCSTWEYQJPA-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CC2CCC1CC2 ZINC000382128773 398305942 /nfs/dbraw/zinc/30/59/42/398305942.db2.gz MLHZXYNRGLPQIR-HBIQZDMRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CC2CCC1CC2 ZINC000382128774 398305899 /nfs/dbraw/zinc/30/58/99/398305899.db2.gz MLHZXYNRGLPQIR-WNYYMSAVSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CC2CCC1CC2 ZINC000382128775 398305849 /nfs/dbraw/zinc/30/58/49/398305849.db2.gz MLHZXYNRGLPQIR-XKGSQUFQSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CC2CCC1CC2 ZINC000382128776 398306044 /nfs/dbraw/zinc/30/60/44/398306044.db2.gz MLHZXYNRGLPQIR-YYJSSNLHSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2(C(C)C)CC2)c(C)s1 ZINC000382129176 398305792 /nfs/dbraw/zinc/30/57/92/398305792.db2.gz WHBJFGXZODZCLY-SECBINFHSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2(C(C)C)CC2)c(C)s1 ZINC000382129178 398305880 /nfs/dbraw/zinc/30/58/80/398305880.db2.gz WHBJFGXZODZCLY-VIFPVBQESA-N 1 0 238.400 3.599 20 0 BHADRO Fc1cccc(CC[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000382129803 710798180 /nfs/dbraw/zinc/79/81/80/710798180.db2.gz NVIXIRXMEPOHJL-XUJLQICISA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CC[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000382129804 710797851 /nfs/dbraw/zinc/79/78/51/710797851.db2.gz NVIXIRXMEPOHJL-ZBCRRDGASA-N 1 0 247.357 3.537 20 0 BHADRO CC[C@@H]([NH2+]CC1CCCC1)c1ccsc1 ZINC000382134074 367489869 /nfs/dbraw/zinc/48/98/69/367489869.db2.gz PJBWMQPODWENAI-CYBMUJFWSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CC1CCCC1)c1ccsc1 ZINC000382134075 367489822 /nfs/dbraw/zinc/48/98/22/367489822.db2.gz PJBWMQPODWENAI-ZDUSSCGKSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccsc1 ZINC000382134781 367489607 /nfs/dbraw/zinc/48/96/07/367489607.db2.gz PLXGHZMQIAMMMJ-LLVKDONJSA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)c1ccsc1 ZINC000382134782 367489525 /nfs/dbraw/zinc/48/95/25/367489525.db2.gz PLXGHZMQIAMMMJ-NSHDSACASA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccsc1 ZINC000382136796 367489857 /nfs/dbraw/zinc/48/98/57/367489857.db2.gz PVEHGJVCAUIUMX-GFCCVEGCSA-N 1 0 209.358 3.755 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccsc1 ZINC000382136799 367489951 /nfs/dbraw/zinc/48/99/51/367489951.db2.gz PVEHGJVCAUIUMX-LBPRGKRZSA-N 1 0 209.358 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000382138701 398307046 /nfs/dbraw/zinc/30/70/46/398307046.db2.gz QDSCATVPJBDEDH-GHMZBOCLSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000382138704 398307428 /nfs/dbraw/zinc/30/74/28/398307428.db2.gz QDSCATVPJBDEDH-MNOVXSKESA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000382138707 398307251 /nfs/dbraw/zinc/30/72/51/398307251.db2.gz QDSCATVPJBDEDH-QWRGUYRKSA-N 1 0 245.338 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000382138710 398307026 /nfs/dbraw/zinc/30/70/26/398307026.db2.gz QDSCATVPJBDEDH-WDEREUQCSA-N 1 0 245.338 3.977 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@H]1CC2CCC1CC2 ZINC000382139086 398307292 /nfs/dbraw/zinc/30/72/92/398307292.db2.gz NLKOPSAGFHUQKP-BNQIPGGESA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CC2CCC1CC2 ZINC000382139088 398307435 /nfs/dbraw/zinc/30/74/35/398307435.db2.gz NLKOPSAGFHUQKP-DGLGBPBLSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)[C@H]1CC2CCC1CC2 ZINC000382139089 398307164 /nfs/dbraw/zinc/30/71/64/398307164.db2.gz NLKOPSAGFHUQKP-TYVCDUJCSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)[C@@H]1CC2CCC1CC2 ZINC000382139090 398307085 /nfs/dbraw/zinc/30/70/85/398307085.db2.gz NLKOPSAGFHUQKP-WZKVNAIUSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccsc1 ZINC000382140621 367489694 /nfs/dbraw/zinc/48/96/94/367489694.db2.gz QOMNVGMYYWCKBW-CYBMUJFWSA-N 1 0 235.396 3.979 20 0 BHADRO CC[C@H]([NH2+]CC1(C2CC2)CC1)c1ccsc1 ZINC000382140624 367489868 /nfs/dbraw/zinc/48/98/68/367489868.db2.gz QOMNVGMYYWCKBW-ZDUSSCGKSA-N 1 0 235.396 3.979 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000382141209 367489828 /nfs/dbraw/zinc/48/98/28/367489828.db2.gz ARTSBUFQWDYUIY-MBNYWOFBSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000382141212 367489662 /nfs/dbraw/zinc/48/96/62/367489662.db2.gz ARTSBUFQWDYUIY-OUCADQQQSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000382141216 367489519 /nfs/dbraw/zinc/48/95/19/367489519.db2.gz ARTSBUFQWDYUIY-SGMGOOAPSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000382141228 384706493 /nfs/dbraw/zinc/70/64/93/384706493.db2.gz ARTSBUFQWDYUIY-YRGRVCCFSA-N 1 0 237.412 3.971 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000382142822 710800077 /nfs/dbraw/zinc/80/00/77/710800077.db2.gz NBAFGZMYGASZPD-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000382142824 710799330 /nfs/dbraw/zinc/79/93/30/710799330.db2.gz NBAFGZMYGASZPD-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000382142825 710799791 /nfs/dbraw/zinc/79/97/91/710799791.db2.gz NBAFGZMYGASZPD-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000382142827 710800016 /nfs/dbraw/zinc/80/00/16/710800016.db2.gz NBAFGZMYGASZPD-SDDRHHMPSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccoc1 ZINC000382143291 367490824 /nfs/dbraw/zinc/49/08/24/367490824.db2.gz NGJDCYRWAXDEEN-PKSQDBQZSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccoc1 ZINC000382143294 367490962 /nfs/dbraw/zinc/49/09/62/367490962.db2.gz NGJDCYRWAXDEEN-QFWMXSHPSA-N 1 0 221.344 3.755 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382144536 367490955 /nfs/dbraw/zinc/49/09/55/367490955.db2.gz NMIBHKIKLJYCAD-KSTCHIGDSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382144550 367491090 /nfs/dbraw/zinc/49/10/90/367491090.db2.gz NMIBHKIKLJYCAD-MRTXSQPYSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382144580 367490550 /nfs/dbraw/zinc/49/05/50/367490550.db2.gz NMIBHKIKLJYCAD-POQQGIQPSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382144608 367490901 /nfs/dbraw/zinc/49/09/01/367490901.db2.gz NMIBHKIKLJYCAD-ZSLBOAEBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)[C@H]1CC2CCC1CC2 ZINC000382144784 398307438 /nfs/dbraw/zinc/30/74/38/398307438.db2.gz NXHDYVQXZMWMKO-GALLPEHLSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)[C@@H]1CC2CCC1CC2 ZINC000382144787 398307051 /nfs/dbraw/zinc/30/70/51/398307051.db2.gz NXHDYVQXZMWMKO-LLGZUXRYSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)[C@H]1CC2CCC1CC2 ZINC000382144788 398307023 /nfs/dbraw/zinc/30/70/23/398307023.db2.gz NXHDYVQXZMWMKO-VYESFELBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CC2CCC1CC2 ZINC000382144792 398307339 /nfs/dbraw/zinc/30/73/39/398307339.db2.gz NXHDYVQXZMWMKO-WPPJOMGTSA-N 1 0 221.388 3.591 20 0 BHADRO C([NH2+][C@@H]1CC2CCC1CC2)C(C1CC1)C1CC1 ZINC000382144955 710799912 /nfs/dbraw/zinc/79/99/12/710799912.db2.gz RGWUHIUTGIVGSK-HFLCMSJXSA-N 1 0 233.399 3.591 20 0 BHADRO C([NH2+][C@H]1CC2CCC1CC2)C(C1CC1)C1CC1 ZINC000382144957 710799163 /nfs/dbraw/zinc/79/91/63/710799163.db2.gz RGWUHIUTGIVGSK-INORYPFCSA-N 1 0 233.399 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000382145793 398307419 /nfs/dbraw/zinc/30/74/19/398307419.db2.gz NZQOFFQLFLHDNS-ABXWRUBCSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@H]1CC2CCC1CC2 ZINC000382145794 398307003 /nfs/dbraw/zinc/30/70/03/398307003.db2.gz NZQOFFQLFLHDNS-BLYZHGLHSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@H]1CC2CCC1CC2 ZINC000382145795 398307288 /nfs/dbraw/zinc/30/72/88/398307288.db2.gz NZQOFFQLFLHDNS-GFJIZPEISA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000382145797 398307160 /nfs/dbraw/zinc/30/71/60/398307160.db2.gz NZQOFFQLFLHDNS-RYSNWHEDSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC(C)(F)F ZINC000382147421 347202046 /nfs/dbraw/zinc/20/20/46/347202046.db2.gz CMTZLJJIGARNRG-GHMZBOCLSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC(C)(F)F ZINC000382147422 347201935 /nfs/dbraw/zinc/20/19/35/347201935.db2.gz CMTZLJJIGARNRG-MNOVXSKESA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC(C)(F)F ZINC000382147423 347202465 /nfs/dbraw/zinc/20/24/65/347202465.db2.gz CMTZLJJIGARNRG-QWRGUYRKSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC(C)(F)F ZINC000382147424 347202401 /nfs/dbraw/zinc/20/24/01/347202401.db2.gz CMTZLJJIGARNRG-WDEREUQCSA-N 1 0 221.335 3.836 20 0 BHADRO CC(C)C1([NH2+]Cc2ccccc2Cl)CC1 ZINC000382147608 398256088 /nfs/dbraw/zinc/25/60/88/398256088.db2.gz OLDLXORZKCRABY-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000382148384 347202469 /nfs/dbraw/zinc/20/24/69/347202469.db2.gz OPXRMAQOZSWXII-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000382148385 347203216 /nfs/dbraw/zinc/20/32/16/347203216.db2.gz OPXRMAQOZSWXII-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000382148386 347203274 /nfs/dbraw/zinc/20/32/74/347203274.db2.gz OPXRMAQOZSWXII-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000382148387 347203263 /nfs/dbraw/zinc/20/32/63/347203263.db2.gz OPXRMAQOZSWXII-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382149060 367490659 /nfs/dbraw/zinc/49/06/59/367490659.db2.gz OXUUCKQQALGZRM-FRRDWIJNSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382149063 367490474 /nfs/dbraw/zinc/49/04/74/367490474.db2.gz OXUUCKQQALGZRM-RWMBFGLXSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000382150166 347201231 /nfs/dbraw/zinc/20/12/31/347201231.db2.gz PEISKUZBFSWGOG-JTQLQIEISA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000382150167 347201336 /nfs/dbraw/zinc/20/13/36/347201336.db2.gz PEISKUZBFSWGOG-SNVBAGLBSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382151727 367490648 /nfs/dbraw/zinc/49/06/48/367490648.db2.gz PTFHZOYLXUOZGI-CRWXNKLISA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382151729 367490771 /nfs/dbraw/zinc/49/07/71/367490771.db2.gz PTFHZOYLXUOZGI-DGAVXFQQSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382151736 347202801 /nfs/dbraw/zinc/20/28/01/347202801.db2.gz PTFHZOYLXUOZGI-MQYQWHSLSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382151742 367490885 /nfs/dbraw/zinc/49/08/85/367490885.db2.gz PTFHZOYLXUOZGI-SYQHCUMBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+]CC(C)(F)F)C1CCCCCC1 ZINC000382151756 367490422 /nfs/dbraw/zinc/49/04/22/367490422.db2.gz PTKARAUITLNISW-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]([NH2+]CC(C)(F)F)C1CCCCCC1 ZINC000382151757 367490450 /nfs/dbraw/zinc/49/04/50/367490450.db2.gz PTKARAUITLNISW-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC1(C)CCC(C[NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000382152177 367491096 /nfs/dbraw/zinc/49/10/96/367491096.db2.gz PXEKIGVAPMAJCU-OLZOCXBDSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1cccs1 ZINC000382156028 347431651 /nfs/dbraw/zinc/43/16/51/347431651.db2.gz RHJTYCWXZQCDJQ-LLVKDONJSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1cccs1 ZINC000382156034 347431657 /nfs/dbraw/zinc/43/16/57/347431657.db2.gz RHJTYCWXZQCDJQ-NSHDSACASA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccsc1 ZINC000382156614 367492235 /nfs/dbraw/zinc/49/22/35/367492235.db2.gz TWIKOYJGDQANOM-DRZSPHRISA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccsc1 ZINC000382156618 367492162 /nfs/dbraw/zinc/49/21/62/367492162.db2.gz TWIKOYJGDQANOM-KGYLQXTDSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccsc1 ZINC000382156619 347204948 /nfs/dbraw/zinc/20/49/48/347204948.db2.gz TWIKOYJGDQANOM-WCFLWFBJSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccsc1 ZINC000382156620 347204986 /nfs/dbraw/zinc/20/49/86/347204986.db2.gz TWIKOYJGDQANOM-WXHSDQCUSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1CCCCC1(F)F ZINC000382157122 367491756 /nfs/dbraw/zinc/49/17/56/367491756.db2.gz OVAATFJCTLENNQ-GFCCVEGCSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382157140 367492315 /nfs/dbraw/zinc/49/23/15/367492315.db2.gz OVAATFJCTLENNQ-LBPRGKRZSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000382157482 347205775 /nfs/dbraw/zinc/20/57/75/347205775.db2.gz ROZTVRJXLBRXQW-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000382157483 347205630 /nfs/dbraw/zinc/20/56/30/347205630.db2.gz ROZTVRJXLBRXQW-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000382157484 347205691 /nfs/dbraw/zinc/20/56/91/347205691.db2.gz ROZTVRJXLBRXQW-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000382157485 347205377 /nfs/dbraw/zinc/20/53/77/347205377.db2.gz ROZTVRJXLBRXQW-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000382157548 347207673 /nfs/dbraw/zinc/20/76/73/347207673.db2.gz RTUOXJOAICPXOK-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000382158490 367491402 /nfs/dbraw/zinc/49/14/02/367491402.db2.gz RZWGZWZKQKZDMJ-BNOWGMLFSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000382158493 347477906 /nfs/dbraw/zinc/47/79/06/347477906.db2.gz RZWGZWZKQKZDMJ-FPMFFAJLSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000382158497 347477792 /nfs/dbraw/zinc/47/77/92/347477792.db2.gz RZWGZWZKQKZDMJ-KWCYVHTRSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000382158498 367491977 /nfs/dbraw/zinc/49/19/77/367491977.db2.gz RZWGZWZKQKZDMJ-YUTCNCBUSA-N 1 0 221.319 3.536 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000382158532 367492341 /nfs/dbraw/zinc/49/23/41/367492341.db2.gz SARHWGMQGHHASC-GFCCVEGCSA-N 1 0 217.356 3.871 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000382158533 367491455 /nfs/dbraw/zinc/49/14/55/367491455.db2.gz SARHWGMQGHHASC-LBPRGKRZSA-N 1 0 217.356 3.871 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000382158623 487532612 /nfs/dbraw/zinc/53/26/12/487532612.db2.gz SCZFGKQXJDXLKE-GDPRMGEGSA-N 1 0 241.787 3.680 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000382159168 710801220 /nfs/dbraw/zinc/80/12/20/710801220.db2.gz SEURZRZATKCDAS-GHMZBOCLSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000382159202 710801275 /nfs/dbraw/zinc/80/12/75/710801275.db2.gz SEURZRZATKCDAS-MNOVXSKESA-N 1 0 221.319 3.583 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1cncs1 ZINC000382159231 367492247 /nfs/dbraw/zinc/49/22/47/367492247.db2.gz SFEOCDWHBIWCCU-GHMZBOCLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cncs1 ZINC000382159235 367492293 /nfs/dbraw/zinc/49/22/93/367492293.db2.gz SFEOCDWHBIWCCU-MNOVXSKESA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cncs1 ZINC000382159239 367491917 /nfs/dbraw/zinc/49/19/17/367491917.db2.gz SFEOCDWHBIWCCU-QWRGUYRKSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1cncs1 ZINC000382159241 367492027 /nfs/dbraw/zinc/49/20/27/367492027.db2.gz SFEOCDWHBIWCCU-WDEREUQCSA-N 1 0 238.400 3.620 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)s1 ZINC000382159297 347478093 /nfs/dbraw/zinc/47/80/93/347478093.db2.gz SFSPVPIFFWQYAZ-LLVKDONJSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)s1 ZINC000382159311 347478259 /nfs/dbraw/zinc/47/82/59/347478259.db2.gz SFSPVPIFFWQYAZ-NSHDSACASA-N 1 0 223.385 3.896 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000382159586 710800710 /nfs/dbraw/zinc/80/07/10/710800710.db2.gz STRGFIGIWBBEMC-JXQTWKCFSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000382159588 710800991 /nfs/dbraw/zinc/80/09/91/710800991.db2.gz STRGFIGIWBBEMC-RUXDESIVSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000382160070 367492134 /nfs/dbraw/zinc/49/21/34/367492134.db2.gz SLLBJSJRYAMCFL-RFQIPJPRSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000382160087 367491881 /nfs/dbraw/zinc/49/18/81/367491881.db2.gz SLLBJSJRYAMCFL-XDQVBPFNSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000382160088 367492263 /nfs/dbraw/zinc/49/22/63/367492263.db2.gz SLLBJSJRYAMCFL-YIYPIFLZSA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000382160089 367492337 /nfs/dbraw/zinc/49/23/37/367492337.db2.gz SLLBJSJRYAMCFL-ZOBORPQBSA-N 1 0 227.367 3.683 20 0 BHADRO Fc1ccc(CC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000382163417 710800897 /nfs/dbraw/zinc/80/08/97/710800897.db2.gz UBCVZUDZUJODPW-XUJLQICISA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccc(CC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000382163420 710800830 /nfs/dbraw/zinc/80/08/30/710800830.db2.gz UBCVZUDZUJODPW-ZBCRRDGASA-N 1 0 247.357 3.537 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000382163575 367492241 /nfs/dbraw/zinc/49/22/41/367492241.db2.gz UFYRGCMQDQIHHF-GFCCVEGCSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000382163577 367491836 /nfs/dbraw/zinc/49/18/36/367491836.db2.gz UFYRGCMQDQIHHF-LBPRGKRZSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1CCC1 ZINC000382164659 347210318 /nfs/dbraw/zinc/21/03/18/347210318.db2.gz UNOWMAJOCZPCEZ-PKSQDBQZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1CCC1 ZINC000382164663 347209991 /nfs/dbraw/zinc/20/99/91/347209991.db2.gz UNOWMAJOCZPCEZ-QFWMXSHPSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccs1 ZINC000382164704 367492322 /nfs/dbraw/zinc/49/23/22/367492322.db2.gz UODAYNBWUUHANV-RWMBFGLXSA-N 1 0 235.396 3.835 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000382165561 710802787 /nfs/dbraw/zinc/80/27/87/710802787.db2.gz USJPXMCOFAOQKJ-LLVKDONJSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000382165564 710802988 /nfs/dbraw/zinc/80/29/88/710802988.db2.gz USJPXMCOFAOQKJ-NSHDSACASA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+]C1CC=CC1)c1ccsc1 ZINC000382165782 398256074 /nfs/dbraw/zinc/25/60/74/398256074.db2.gz VGZHSCYFXITMBU-GFCCVEGCSA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@H]([NH2+]C1CC=CC1)c1ccsc1 ZINC000382165784 398256079 /nfs/dbraw/zinc/25/60/79/398256079.db2.gz VGZHSCYFXITMBU-LBPRGKRZSA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccsc1 ZINC000382166695 397916199 /nfs/dbraw/zinc/91/61/99/397916199.db2.gz VKVOUUQTJJKOMW-ADEWGFFLSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccsc1 ZINC000382166697 397915987 /nfs/dbraw/zinc/91/59/87/397915987.db2.gz VKVOUUQTJJKOMW-DLOVCJGASA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccsc1 ZINC000382166698 397915578 /nfs/dbraw/zinc/91/55/78/397915578.db2.gz VKVOUUQTJJKOMW-USWWRNFRSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccsc1 ZINC000382166704 397916221 /nfs/dbraw/zinc/91/62/21/397916221.db2.gz VKVOUUQTJJKOMW-ZMLRMANQSA-N 1 0 241.425 3.683 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000382167787 348435566 /nfs/dbraw/zinc/43/55/66/348435566.db2.gz VMXCAJRZEDKMLF-QJPTWQEYSA-N 1 0 203.345 3.539 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)F ZINC000382167788 348435252 /nfs/dbraw/zinc/43/52/52/348435252.db2.gz VMXCAJRZEDKMLF-SDDRHHMPSA-N 1 0 203.345 3.539 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@H](C)F ZINC000382167789 347209812 /nfs/dbraw/zinc/20/98/12/347209812.db2.gz VMXCAJRZEDKMLF-SRVKXCTJSA-N 1 0 203.345 3.539 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)F ZINC000382167791 348435276 /nfs/dbraw/zinc/43/52/76/348435276.db2.gz VMXCAJRZEDKMLF-TUAOUCFPSA-N 1 0 203.345 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000382167798 710802134 /nfs/dbraw/zinc/80/21/34/710802134.db2.gz VNAYFQAXTHGGQF-IGQOVBAYSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000382167799 710802535 /nfs/dbraw/zinc/80/25/35/710802535.db2.gz VNAYFQAXTHGGQF-REWJHTLYSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000382167800 710801973 /nfs/dbraw/zinc/80/19/73/710801973.db2.gz VNAYFQAXTHGGQF-RFQIPJPRSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000382167801 710802709 /nfs/dbraw/zinc/80/27/09/710802709.db2.gz VNAYFQAXTHGGQF-XDQVBPFNSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)C1([NH2+]Cc2sccc2Cl)CC1 ZINC000382168647 410992511 /nfs/dbraw/zinc/99/25/11/410992511.db2.gz VPXWEWSQKGHESH-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1ccccc1C ZINC000382168694 367492928 /nfs/dbraw/zinc/49/29/28/367492928.db2.gz VSMKEXZLYIFUTR-UHFFFAOYSA-N 1 0 217.356 3.786 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](CC)c1ccsc1 ZINC000382169160 367493513 /nfs/dbraw/zinc/49/35/13/367493513.db2.gz VXHKPWSBZSZIEW-NEPJUHHUSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)CSC)c1ccsc1 ZINC000382169162 367492901 /nfs/dbraw/zinc/49/29/01/367492901.db2.gz VXHKPWSBZSZIEW-NWDGAFQWSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](CC)c1ccsc1 ZINC000382169164 367493472 /nfs/dbraw/zinc/49/34/72/367493472.db2.gz VXHKPWSBZSZIEW-RYUDHWBXSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](CC)c1ccsc1 ZINC000382169167 367493173 /nfs/dbraw/zinc/49/31/73/367493173.db2.gz VXHKPWSBZSZIEW-VXGBXAGGSA-N 1 0 243.441 3.930 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382170229 367493082 /nfs/dbraw/zinc/49/30/82/367493082.db2.gz WFDGZLNYAJLDLZ-DGAVXFQQSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382170231 367493062 /nfs/dbraw/zinc/49/30/62/367493062.db2.gz WFDGZLNYAJLDLZ-FQUUOJAGSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382170234 367493688 /nfs/dbraw/zinc/49/36/88/367493688.db2.gz WFDGZLNYAJLDLZ-RQJABVFESA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000382170242 367493224 /nfs/dbraw/zinc/49/32/24/367493224.db2.gz WFDGZLNYAJLDLZ-SYQHCUMBSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C1CC([NH2+]CC2(C)CCC2)C1 ZINC000382171206 347214057 /nfs/dbraw/zinc/21/40/57/347214057.db2.gz WLIRBRZCUHHEDG-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccsc1 ZINC000382173044 367493358 /nfs/dbraw/zinc/49/33/58/367493358.db2.gz WNXWTSOXUGVTFN-SECBINFHSA-N 1 0 237.290 3.741 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccsc1 ZINC000382173047 367493889 /nfs/dbraw/zinc/49/38/89/367493889.db2.gz WNXWTSOXUGVTFN-VIFPVBQESA-N 1 0 237.290 3.741 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)c1ccsc1 ZINC000382173051 367493102 /nfs/dbraw/zinc/49/31/02/367493102.db2.gz WNZZDOHSQILUQE-GFCCVEGCSA-N 1 0 243.441 3.932 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)c1ccsc1 ZINC000382173052 367493528 /nfs/dbraw/zinc/49/35/28/367493528.db2.gz WNZZDOHSQILUQE-LBPRGKRZSA-N 1 0 243.441 3.932 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000382173487 367493443 /nfs/dbraw/zinc/49/34/43/367493443.db2.gz LVWGVYGOIZFSMF-LLVKDONJSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000382173490 367493798 /nfs/dbraw/zinc/49/37/98/367493798.db2.gz LVWGVYGOIZFSMF-NSHDSACASA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000382174105 367493571 /nfs/dbraw/zinc/49/35/71/367493571.db2.gz XICFZVFQCOFJSG-GFCCVEGCSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000382174107 347212540 /nfs/dbraw/zinc/21/25/40/347212540.db2.gz XICFZVFQCOFJSG-LBPRGKRZSA-N 1 0 223.404 3.981 20 0 BHADRO CC(C)C(C[NH2+]CCC(C)(F)F)C(C)C ZINC000382174739 398256087 /nfs/dbraw/zinc/25/60/87/398256087.db2.gz MJCXGXAAKYHWEA-UHFFFAOYSA-N 1 0 221.335 3.550 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccsc1C)C(C)(C)C ZINC000382174756 367493669 /nfs/dbraw/zinc/49/36/69/367493669.db2.gz XLNQRSYDSURJIZ-GFCCVEGCSA-N 1 0 225.401 3.971 20 0 BHADRO CC[C@H]([NH2+]Cc1ccsc1C)C(C)(C)C ZINC000382174766 367493151 /nfs/dbraw/zinc/49/31/51/367493151.db2.gz XLNQRSYDSURJIZ-LBPRGKRZSA-N 1 0 225.401 3.971 20 0 BHADRO CCC1CCC([NH2+]C2(C(C)C)CC2)CC1 ZINC000382175017 347216975 /nfs/dbraw/zinc/21/69/75/347216975.db2.gz XPKBACZVFCBCNR-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)c1ccsc1 ZINC000382175426 367493290 /nfs/dbraw/zinc/49/32/90/367493290.db2.gz WXBSVYBVPYIRQF-JTQLQIEISA-N 1 0 233.327 3.834 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)c1ccsc1 ZINC000382175428 347216838 /nfs/dbraw/zinc/21/68/38/347216838.db2.gz WXBSVYBVPYIRQF-SNVBAGLBSA-N 1 0 233.327 3.834 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC=CC1 ZINC000382175979 710806311 /nfs/dbraw/zinc/80/63/11/710806311.db2.gz XWRNFWFQCMFGCU-LLVKDONJSA-N 1 0 219.303 3.503 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC=CC1 ZINC000382175981 710805159 /nfs/dbraw/zinc/80/51/59/710805159.db2.gz XWRNFWFQCMFGCU-NSHDSACASA-N 1 0 219.303 3.503 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2CC(C)C2)c1 ZINC000382176200 367493788 /nfs/dbraw/zinc/49/37/88/367493788.db2.gz YBJWNQKBZPRACH-UHFFFAOYSA-N 1 0 223.747 3.537 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccco1 ZINC000382177868 397917878 /nfs/dbraw/zinc/91/78/78/397917878.db2.gz YMYFZDXNVIICQM-NEPJUHHUSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccco1 ZINC000382177871 397917852 /nfs/dbraw/zinc/91/78/52/397917852.db2.gz YMYFZDXNVIICQM-NWDGAFQWSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccco1 ZINC000382177874 398255925 /nfs/dbraw/zinc/25/59/25/398255925.db2.gz YMYFZDXNVIICQM-RYUDHWBXSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccco1 ZINC000382177876 397917955 /nfs/dbraw/zinc/91/79/55/397917955.db2.gz YMYFZDXNVIICQM-VXGBXAGGSA-N 1 0 221.344 3.757 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CC2CCCC2)CC1 ZINC000382178006 347216082 /nfs/dbraw/zinc/21/60/82/347216082.db2.gz YNSCJRQIIIUXAU-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000382178009 347215842 /nfs/dbraw/zinc/21/58/42/347215842.db2.gz YNSCJRQIIIUXAU-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC1)c1ccsc1 ZINC000382178241 367494470 /nfs/dbraw/zinc/49/44/70/367494470.db2.gz XHYPISDCULVKTP-GFCCVEGCSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC1)c1ccsc1 ZINC000382178248 367494498 /nfs/dbraw/zinc/49/44/98/367494498.db2.gz XHYPISDCULVKTP-LBPRGKRZSA-N 1 0 223.385 3.979 20 0 BHADRO CC(C)C1([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000382179095 348723625 /nfs/dbraw/zinc/72/36/25/348723625.db2.gz YVUURYIDQMHJDJ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2F)ccc1Cl ZINC000382181948 348726063 /nfs/dbraw/zinc/72/60/63/348726063.db2.gz ZRQIHLQFUFMTPJ-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO Fc1ccccc1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382182484 710805883 /nfs/dbraw/zinc/80/58/83/710805883.db2.gz WULRSOWBJJUWKC-LDZOIKDWSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000382182485 710805706 /nfs/dbraw/zinc/80/57/06/710805706.db2.gz WULRSOWBJJUWKC-PXCJXSSVSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)[C@H]1CC2CCC1CC2 ZINC000382183596 367494567 /nfs/dbraw/zinc/49/45/67/367494567.db2.gz QRKAIIURGXOICN-HROAXKMESA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)[C@@H]1CC2CCC1CC2 ZINC000382183612 367495372 /nfs/dbraw/zinc/49/53/72/367495372.db2.gz QRKAIIURGXOICN-MFSIZMQVSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)[C@@H]1CC2CCC1CC2 ZINC000382183616 367494453 /nfs/dbraw/zinc/49/44/53/367494453.db2.gz QRKAIIURGXOICN-RVNJSBCLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)[C@H]1CC2CCC1CC2 ZINC000382183619 367494645 /nfs/dbraw/zinc/49/46/45/367494645.db2.gz QRKAIIURGXOICN-USQGSHGKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1csc(Cl)c1 ZINC000382185902 367496198 /nfs/dbraw/zinc/49/61/98/367496198.db2.gz BAMGRHNQKGLAEH-FKTZTGRPSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1csc(Cl)c1 ZINC000382185903 367496496 /nfs/dbraw/zinc/49/64/96/367496496.db2.gz BAMGRHNQKGLAEH-QNSHHTMESA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1csc(Cl)c1 ZINC000382185904 367496011 /nfs/dbraw/zinc/49/60/11/367496011.db2.gz BAMGRHNQKGLAEH-SFGNSQDASA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1csc(Cl)c1 ZINC000382185905 367495865 /nfs/dbraw/zinc/49/58/65/367495865.db2.gz BAMGRHNQKGLAEH-UJNFCWOMSA-N 1 0 247.766 3.943 20 0 BHADRO CCC[N@H+](Cc1cccc(O)c1Cl)C(C)C ZINC000382187922 487532731 /nfs/dbraw/zinc/53/27/31/487532731.db2.gz HGLMCOCGFMOHGV-UHFFFAOYSA-N 1 0 241.762 3.666 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CC2CCC1CC2 ZINC000382187972 398255951 /nfs/dbraw/zinc/25/59/51/398255951.db2.gz QYGXQAJGNBTQSU-IKWCTNDRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CC2CCC1CC2 ZINC000382187978 397920463 /nfs/dbraw/zinc/92/04/63/397920463.db2.gz QYGXQAJGNBTQSU-WTIISPKJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CC2CCC1CC2 ZINC000382187979 397920431 /nfs/dbraw/zinc/92/04/31/397920431.db2.gz QYGXQAJGNBTQSU-XVSSEFHLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CC2CCC1CC2 ZINC000382187981 397920366 /nfs/dbraw/zinc/92/03/66/397920366.db2.gz QYGXQAJGNBTQSU-YWPUVAFDSA-N 1 0 245.357 3.836 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000382190730 367496521 /nfs/dbraw/zinc/49/65/21/367496521.db2.gz CHHJBOJYBODKJI-GHMZBOCLSA-N 1 0 247.766 3.772 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC)c1ccc(F)cc1 ZINC000382196204 367496818 /nfs/dbraw/zinc/49/68/18/367496818.db2.gz IMPRAQGLWZWUMG-LERXQTSPSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)c1ccsc1 ZINC000382196260 367496112 /nfs/dbraw/zinc/49/61/12/367496112.db2.gz ZUXLYHIULFLMKY-CYBMUJFWSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)c1ccsc1 ZINC000382196261 367496368 /nfs/dbraw/zinc/49/63/68/367496368.db2.gz ZUXLYHIULFLMKY-ZDUSSCGKSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)C)c1ccsc1 ZINC000382197170 367498227 /nfs/dbraw/zinc/49/82/27/367498227.db2.gz ZZWZJHAYHCNQCJ-GFCCVEGCSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H]([NH2+]CCC(C)C)c1ccsc1 ZINC000382197171 367497572 /nfs/dbraw/zinc/49/75/72/367497572.db2.gz ZZWZJHAYHCNQCJ-LBPRGKRZSA-N 1 0 211.374 3.835 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000382198194 711541444 /nfs/dbraw/zinc/54/14/44/711541444.db2.gz YUFLDGQSAKHDIX-BZTHDZJNSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000382198196 711541397 /nfs/dbraw/zinc/54/13/97/711541397.db2.gz YUFLDGQSAKHDIX-IIZVFWCOSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CC2CCC1CC2 ZINC000382203049 398255842 /nfs/dbraw/zinc/25/58/42/398255842.db2.gz SAFLSTYCDYZMIV-BNQIPGGESA-N 1 0 233.355 3.584 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CC2CCC1CC2 ZINC000382203051 398256100 /nfs/dbraw/zinc/25/61/00/398256100.db2.gz SAFLSTYCDYZMIV-DGLGBPBLSA-N 1 0 233.355 3.584 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@H]1CC2CCC1CC2 ZINC000382203052 397921822 /nfs/dbraw/zinc/92/18/22/397921822.db2.gz SAFLSTYCDYZMIV-TYVCDUJCSA-N 1 0 233.355 3.584 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CC2CCC1CC2 ZINC000382203053 397921326 /nfs/dbraw/zinc/92/13/26/397921326.db2.gz SAFLSTYCDYZMIV-WZKVNAIUSA-N 1 0 233.355 3.584 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382205381 367498499 /nfs/dbraw/zinc/49/84/99/367498499.db2.gz SFLWNQKTEPSFSA-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382205388 347232707 /nfs/dbraw/zinc/23/27/07/347232707.db2.gz SFLWNQKTEPSFSA-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382205389 347232620 /nfs/dbraw/zinc/23/26/20/347232620.db2.gz SFLWNQKTEPSFSA-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382205390 347232616 /nfs/dbraw/zinc/23/26/16/347232616.db2.gz SFLWNQKTEPSFSA-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CC2CCC1CC2 ZINC000382207182 397920851 /nfs/dbraw/zinc/92/08/51/397920851.db2.gz SHPATICJLHOHDV-CHQKBHSXSA-N 1 0 233.399 3.900 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)[C@H]1CC2CCC1CC2 ZINC000382207183 397921526 /nfs/dbraw/zinc/92/15/26/397921526.db2.gz SHPATICJLHOHDV-NXSPZCGBSA-N 1 0 233.399 3.900 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CC2CCC1CC2 ZINC000382207184 397921531 /nfs/dbraw/zinc/92/15/31/397921531.db2.gz SHPATICJLHOHDV-VLSVSDDBSA-N 1 0 233.399 3.900 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CC2CCC1CC2 ZINC000382207187 397921006 /nfs/dbraw/zinc/92/10/06/397921006.db2.gz SHPATICJLHOHDV-WVTZPBJPSA-N 1 0 233.399 3.900 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H](C)F ZINC000382210789 367498348 /nfs/dbraw/zinc/49/83/48/367498348.db2.gz HATGJCHBKLBFKI-QJPTWQEYSA-N 1 0 203.345 3.539 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H](C)F ZINC000382210797 367497869 /nfs/dbraw/zinc/49/78/69/367497869.db2.gz HATGJCHBKLBFKI-SDDRHHMPSA-N 1 0 203.345 3.539 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H](C)F ZINC000382210809 367498331 /nfs/dbraw/zinc/49/83/31/367498331.db2.gz HATGJCHBKLBFKI-SRVKXCTJSA-N 1 0 203.345 3.539 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H](C)F ZINC000382210838 367498650 /nfs/dbraw/zinc/49/86/50/367498650.db2.gz HATGJCHBKLBFKI-TUAOUCFPSA-N 1 0 203.345 3.539 20 0 BHADRO Cc1csc(C[NH2+]CCC(C)(C)C)c1 ZINC000382215684 367499551 /nfs/dbraw/zinc/49/95/51/367499551.db2.gz XHWZVYZRNPGFHT-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCCC2(F)F)CCC1 ZINC000382217575 398049604 /nfs/dbraw/zinc/04/96/04/398049604.db2.gz UAUQREAUQZGPAB-LLVKDONJSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCCC2(F)F)CCC1 ZINC000382217585 397922985 /nfs/dbraw/zinc/92/29/85/397922985.db2.gz UAUQREAUQZGPAB-NSHDSACASA-N 1 0 231.330 3.592 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382219292 367499393 /nfs/dbraw/zinc/49/93/93/367499393.db2.gz UFTPNFVSTKLIMI-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382219295 367500060 /nfs/dbraw/zinc/50/00/60/367500060.db2.gz UFTPNFVSTKLIMI-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382219296 367500259 /nfs/dbraw/zinc/50/02/59/367500259.db2.gz UFTPNFVSTKLIMI-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382219298 367499649 /nfs/dbraw/zinc/49/96/49/367499649.db2.gz UFTPNFVSTKLIMI-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)[C@@H]1CC2CCC1CC2 ZINC000382225759 349280590 /nfs/dbraw/zinc/28/05/90/349280590.db2.gz USVKNGQKPHLPNM-CLTVBZQCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)[C@H]1CC2CCC1CC2 ZINC000382225765 349280375 /nfs/dbraw/zinc/28/03/75/349280375.db2.gz USVKNGQKPHLPNM-LFUGVXIPSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@@H]1CC2CCC1CC2 ZINC000382225767 349280259 /nfs/dbraw/zinc/28/02/59/349280259.db2.gz USVKNGQKPHLPNM-LPXQKFACSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@H]1CC2CCC1CC2 ZINC000382225768 349280628 /nfs/dbraw/zinc/28/06/28/349280628.db2.gz USVKNGQKPHLPNM-XZNOPERXSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000382229240 347240512 /nfs/dbraw/zinc/24/05/12/347240512.db2.gz RMVVDPPEMCOGPD-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000382229242 367499905 /nfs/dbraw/zinc/49/99/05/367499905.db2.gz RMVVDPPEMCOGPD-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000382229243 367500033 /nfs/dbraw/zinc/50/00/33/367500033.db2.gz RMVVDPPEMCOGPD-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000382229244 367499507 /nfs/dbraw/zinc/49/95/07/367499507.db2.gz RMVVDPPEMCOGPD-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000382231692 367499456 /nfs/dbraw/zinc/49/94/56/367499456.db2.gz DDIRAAHVPBWTGH-GFCCVEGCSA-N 1 0 221.369 3.502 20 0 BHADRO Cc1csc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000382231696 367499590 /nfs/dbraw/zinc/49/95/90/367499590.db2.gz DDIRAAHVPBWTGH-LBPRGKRZSA-N 1 0 221.369 3.502 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@@H]1CC2CCC1CC2 ZINC000382231956 367501951 /nfs/dbraw/zinc/50/19/51/367501951.db2.gz VJDRHWXGIIBIPJ-CLTVBZQCSA-N 1 0 233.355 3.584 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@H]1CC2CCC1CC2 ZINC000382231960 367501004 /nfs/dbraw/zinc/50/10/04/367501004.db2.gz VJDRHWXGIIBIPJ-LFUGVXIPSA-N 1 0 233.355 3.584 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CC2CCC1CC2 ZINC000382231962 367501179 /nfs/dbraw/zinc/50/11/79/367501179.db2.gz VJDRHWXGIIBIPJ-LPXQKFACSA-N 1 0 233.355 3.584 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@H]1CC2CCC1CC2 ZINC000382231963 367501688 /nfs/dbraw/zinc/50/16/88/367501688.db2.gz VJDRHWXGIIBIPJ-XZNOPERXSA-N 1 0 233.355 3.584 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)cc2)c1 ZINC000382240036 347244725 /nfs/dbraw/zinc/24/47/25/347244725.db2.gz GEKWMPMMHQDAAA-UHFFFAOYSA-N 1 0 231.364 3.655 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCC(C)(F)F)C1 ZINC000382240336 347245042 /nfs/dbraw/zinc/24/50/42/347245042.db2.gz GERJCICVFHPKOE-CMPLNLGQSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCC(C)(F)F)C1 ZINC000382240358 367501763 /nfs/dbraw/zinc/50/17/63/367501763.db2.gz GERJCICVFHPKOE-JQWIXIFHSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCC(C)(F)F)C1 ZINC000382240610 367500918 /nfs/dbraw/zinc/50/09/18/367500918.db2.gz GERJCICVFHPKOE-PWSUYJOCSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCC(C)(F)F)C1 ZINC000382240611 367501903 /nfs/dbraw/zinc/50/19/03/367501903.db2.gz GERJCICVFHPKOE-ZYHUDNBSSA-N 1 0 231.330 3.614 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000382250253 397926552 /nfs/dbraw/zinc/92/65/52/397926552.db2.gz IWLBYEWLGHACCX-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000382250255 397926614 /nfs/dbraw/zinc/92/66/14/397926614.db2.gz IWLBYEWLGHACCX-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CCCC1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000382255976 347252193 /nfs/dbraw/zinc/25/21/93/347252193.db2.gz WCNBBUYDSVLUKS-QQFIATSDSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382258433 367501614 /nfs/dbraw/zinc/50/16/14/367501614.db2.gz XUXXFZPNFZMKKN-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382258439 367501624 /nfs/dbraw/zinc/50/16/24/367501624.db2.gz XUXXFZPNFZMKKN-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382258440 367501270 /nfs/dbraw/zinc/50/12/70/367501270.db2.gz XUXXFZPNFZMKKN-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382258442 347251377 /nfs/dbraw/zinc/25/13/77/347251377.db2.gz XUXXFZPNFZMKKN-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000382259504 367501098 /nfs/dbraw/zinc/50/10/98/367501098.db2.gz KUPBZCDGDMNWFR-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000382260114 367501916 /nfs/dbraw/zinc/50/19/16/367501916.db2.gz WZSQKVFFTBKZQL-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCCC12CCCC2 ZINC000382260115 367501448 /nfs/dbraw/zinc/50/14/48/367501448.db2.gz WZSQKVFFTBKZQL-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000382266503 367502505 /nfs/dbraw/zinc/50/25/05/367502505.db2.gz DMKQAHJGNCHRME-GFCCVEGCSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000382266505 367502692 /nfs/dbraw/zinc/50/26/92/367502692.db2.gz DMKQAHJGNCHRME-LBPRGKRZSA-N 1 0 239.309 3.520 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000382268598 367502774 /nfs/dbraw/zinc/50/27/74/367502774.db2.gz MJLOFXYIAVBOAS-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000382268599 347254353 /nfs/dbraw/zinc/25/43/53/347254353.db2.gz MJLOFXYIAVBOAS-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000382268607 367502707 /nfs/dbraw/zinc/50/27/07/367502707.db2.gz MJLOFXYIAVBOAS-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000382268608 367502681 /nfs/dbraw/zinc/50/26/81/367502681.db2.gz MJLOFXYIAVBOAS-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000382274235 367502789 /nfs/dbraw/zinc/50/27/89/367502789.db2.gz BXAADIHFKVDZJY-QWHCGFSZSA-N 1 0 241.737 3.629 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382280324 367503017 /nfs/dbraw/zinc/50/30/17/367503017.db2.gz ZIZGXQOZVWVVRQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000382280327 367502935 /nfs/dbraw/zinc/50/29/35/367502935.db2.gz ZIZGXQOZVWVVRQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000382280333 347259216 /nfs/dbraw/zinc/25/92/16/347259216.db2.gz ZIZGXQOZVWVVRQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382280336 367503233 /nfs/dbraw/zinc/50/32/33/367503233.db2.gz ZIZGXQOZVWVVRQ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)s1 ZINC000382281305 367504006 /nfs/dbraw/zinc/50/40/06/367504006.db2.gz JBQBBJQLPBCRDN-IJLUTSLNSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)s1 ZINC000382281322 367504211 /nfs/dbraw/zinc/50/42/11/367504211.db2.gz JBQBBJQLPBCRDN-QJPTWQEYSA-N 1 0 241.375 3.988 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000382281354 397880204 /nfs/dbraw/zinc/88/02/04/397880204.db2.gz JBZFYQBKUASLTA-UHFFFAOYSA-N 1 0 225.763 3.927 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC(C)(F)F ZINC000382286594 367504196 /nfs/dbraw/zinc/50/41/96/367504196.db2.gz PXKRRGMRUWKTFU-JTQLQIEISA-N 1 0 207.308 3.590 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC(C)(F)F ZINC000382286596 367504197 /nfs/dbraw/zinc/50/41/97/367504197.db2.gz PXKRRGMRUWKTFU-SNVBAGLBSA-N 1 0 207.308 3.590 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382287672 539008699 /nfs/dbraw/zinc/00/86/99/539008699.db2.gz KDHSPOOAMNDAPF-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382287678 539008517 /nfs/dbraw/zinc/00/85/17/539008517.db2.gz KDHSPOOAMNDAPF-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2(C)CCC2)c1 ZINC000382288592 367504103 /nfs/dbraw/zinc/50/41/03/367504103.db2.gz KHZLVXFMRBGKAG-UHFFFAOYSA-N 1 0 223.747 3.681 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000382288673 347262206 /nfs/dbraw/zinc/26/22/06/347262206.db2.gz KJTKGVCZTHSHPV-BFHYXJOUSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000382288674 347262172 /nfs/dbraw/zinc/26/21/72/347262172.db2.gz KJTKGVCZTHSHPV-MJBXVCDLSA-N 1 0 221.388 3.591 20 0 BHADRO CC(F)(F)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000382303329 367505746 /nfs/dbraw/zinc/50/57/46/367505746.db2.gz NZRFUMKZWASHJA-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CSCCC[NH2+]C(C)(C)c1ccccc1C ZINC000382304512 367505159 /nfs/dbraw/zinc/50/51/59/367505159.db2.gz OJGYYRKZAMNMRT-UHFFFAOYSA-N 1 0 237.412 3.573 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)c1ccccc1C ZINC000382305108 347268522 /nfs/dbraw/zinc/26/85/22/347268522.db2.gz OODQWSVIPKPUCD-GFCCVEGCSA-N 1 0 223.335 3.568 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)c1ccccc1C ZINC000382305109 347268543 /nfs/dbraw/zinc/26/85/43/347268543.db2.gz OODQWSVIPKPUCD-LBPRGKRZSA-N 1 0 223.335 3.568 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CC[C@H]1C1CC1)C1CC1 ZINC000382306002 347267345 /nfs/dbraw/zinc/26/73/45/347267345.db2.gz OVSOASMKRICFGS-KBPBESRZSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000382306003 347267753 /nfs/dbraw/zinc/26/77/53/347267753.db2.gz OVSOASMKRICFGS-KGLIPLIRSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CC1 ZINC000382306004 347267378 /nfs/dbraw/zinc/26/73/78/347267378.db2.gz OVSOASMKRICFGS-UONOGXRCSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000382306005 347267410 /nfs/dbraw/zinc/26/74/10/347267410.db2.gz OVSOASMKRICFGS-ZIAGYGMSSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC000382308695 397935096 /nfs/dbraw/zinc/93/50/96/397935096.db2.gz PLHNXWIYZDSMRT-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC000382308696 397935123 /nfs/dbraw/zinc/93/51/23/397935123.db2.gz PLHNXWIYZDSMRT-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC000382308698 397934992 /nfs/dbraw/zinc/93/49/92/397934992.db2.gz PLHNXWIYZDSMRT-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC000382308700 397935089 /nfs/dbraw/zinc/93/50/89/397935089.db2.gz PLHNXWIYZDSMRT-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000382311160 397881352 /nfs/dbraw/zinc/88/13/52/397881352.db2.gz QDDAMTSOOOWFBU-JTQLQIEISA-N 1 0 241.762 3.522 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000382311161 397881405 /nfs/dbraw/zinc/88/14/05/397881405.db2.gz QDDAMTSOOOWFBU-SNVBAGLBSA-N 1 0 241.762 3.522 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000382312065 712396567 /nfs/dbraw/zinc/39/65/67/712396567.db2.gz UKOACBJISBOMQW-ABXWRUBCSA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382312067 711659578 /nfs/dbraw/zinc/65/95/78/711659578.db2.gz UKOACBJISBOMQW-BLYZHGLHSA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382312070 711659682 /nfs/dbraw/zinc/65/96/82/711659682.db2.gz UKOACBJISBOMQW-GFJIZPEISA-N 1 0 241.444 3.686 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000382312072 711659550 /nfs/dbraw/zinc/65/95/50/711659550.db2.gz UKOACBJISBOMQW-RYSNWHEDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000382315382 367506816 /nfs/dbraw/zinc/50/68/16/367506816.db2.gz RKJPJXYTGSHGRO-GFCCVEGCSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000382315384 367506828 /nfs/dbraw/zinc/50/68/28/367506828.db2.gz RKJPJXYTGSHGRO-LBPRGKRZSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000382316093 487538955 /nfs/dbraw/zinc/53/89/55/487538955.db2.gz RPFAZQVRFNJYPS-DJIHRAIXSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000382316118 487539111 /nfs/dbraw/zinc/53/91/11/487539111.db2.gz RPFAZQVRFNJYPS-DNIRFERGSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000382316126 487539019 /nfs/dbraw/zinc/53/90/19/487539019.db2.gz RPFAZQVRFNJYPS-LYIQGSDWSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1Cl ZINC000382317004 347273539 /nfs/dbraw/zinc/27/35/39/347273539.db2.gz RVUITFVQVNGIAZ-ARENWVFISA-N 1 0 245.700 3.644 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1Cl ZINC000382317005 347273124 /nfs/dbraw/zinc/27/31/24/347273124.db2.gz RVUITFVQVNGIAZ-HDBBIHSSSA-N 1 0 245.700 3.644 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000382319484 367507438 /nfs/dbraw/zinc/50/74/38/367507438.db2.gz ZCEAJULXOHGMFG-GFCCVEGCSA-N 1 0 231.364 3.907 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000382319486 367507935 /nfs/dbraw/zinc/50/79/35/367507935.db2.gz ZCEAJULXOHGMFG-LBPRGKRZSA-N 1 0 231.364 3.907 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000382319654 347276510 /nfs/dbraw/zinc/27/65/10/347276510.db2.gz STGPLJZNNWYMTQ-ZRZGDYATSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C1([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000382323079 367507734 /nfs/dbraw/zinc/50/77/34/367507734.db2.gz UKORXBOQIPMUEG-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC(C)(F)F ZINC000382324261 711666121 /nfs/dbraw/zinc/66/61/21/711666121.db2.gz UUFKKGJNHLVAGM-JTQLQIEISA-N 1 0 207.308 3.590 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC(C)(F)F ZINC000382324618 711666142 /nfs/dbraw/zinc/66/61/42/711666142.db2.gz UUFKKGJNHLVAGM-SNVBAGLBSA-N 1 0 207.308 3.590 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)F)C[C@@H]1C ZINC000382326541 347278642 /nfs/dbraw/zinc/27/86/42/347278642.db2.gz VHNKJJVGLPTIMX-FQUUOJAGSA-N 1 0 229.383 3.785 20 0 BHADRO CC(C)[C@H]1CC[C@@H]([NH2+]CC[C@H](C)F)C[C@@H]1C ZINC000382326544 347278611 /nfs/dbraw/zinc/27/86/11/347278611.db2.gz VHNKJJVGLPTIMX-IGQOVBAYSA-N 1 0 229.383 3.785 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)F)C[C@H]1C ZINC000382326546 347278628 /nfs/dbraw/zinc/27/86/28/347278628.db2.gz VHNKJJVGLPTIMX-RQJABVFESA-N 1 0 229.383 3.785 20 0 BHADRO CC(C)[C@H]1CC[C@@H]([NH2+]CC[C@H](C)F)C[C@H]1C ZINC000382326550 367507826 /nfs/dbraw/zinc/50/78/26/367507826.db2.gz VHNKJJVGLPTIMX-XJFOESAGSA-N 1 0 229.383 3.785 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382327438 487761711 /nfs/dbraw/zinc/76/17/11/487761711.db2.gz VLSMPKHXYDPKHC-IGQOVBAYSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382327439 487761646 /nfs/dbraw/zinc/76/16/46/487761646.db2.gz VLSMPKHXYDPKHC-XDQVBPFNSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382327446 487761617 /nfs/dbraw/zinc/76/16/17/487761617.db2.gz VLSMPKHXYDPKHC-XJFOESAGSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000382327449 487761664 /nfs/dbraw/zinc/76/16/64/487761664.db2.gz VLSMPKHXYDPKHC-ZOBORPQBSA-N 1 0 227.367 3.826 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000382333321 350107610 /nfs/dbraw/zinc/10/76/10/350107610.db2.gz XFYYDYFYSJRRBE-GWCFXTLKSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000382333331 350107693 /nfs/dbraw/zinc/10/76/93/350107693.db2.gz XFYYDYFYSJRRBE-GXFFZTMASA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000382333332 350107593 /nfs/dbraw/zinc/10/75/93/350107593.db2.gz XFYYDYFYSJRRBE-MFKMUULPSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000382333333 350107440 /nfs/dbraw/zinc/10/74/40/350107440.db2.gz XFYYDYFYSJRRBE-ZWNOBZJWSA-N 1 0 223.747 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccsc1 ZINC000382340942 367509402 /nfs/dbraw/zinc/50/94/02/367509402.db2.gz ZSGFZBXRARDFBC-MVWJERBFSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccsc1 ZINC000382340998 367508795 /nfs/dbraw/zinc/50/87/95/367508795.db2.gz ZSGFZBXRARDFBC-YUSALJHKSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000382348762 367510871 /nfs/dbraw/zinc/51/08/71/367510871.db2.gz GBMDRDYAOBDFNW-MCIONIFRSA-N 1 0 221.319 3.618 20 0 BHADRO FCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000382355555 367511114 /nfs/dbraw/zinc/51/11/14/367511114.db2.gz HISLDLDQBDCGHE-JTQLQIEISA-N 1 0 248.128 3.540 20 0 BHADRO FCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000382355562 367511065 /nfs/dbraw/zinc/51/10/65/367511065.db2.gz HISLDLDQBDCGHE-SNVBAGLBSA-N 1 0 248.128 3.540 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000382356137 711498433 /nfs/dbraw/zinc/49/84/33/711498433.db2.gz IFLZGNQLMIHWQH-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000382356138 711498420 /nfs/dbraw/zinc/49/84/20/711498420.db2.gz IFLZGNQLMIHWQH-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000382356140 711498469 /nfs/dbraw/zinc/49/84/69/711498469.db2.gz IFLZGNQLMIHWQH-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000382356142 711498443 /nfs/dbraw/zinc/49/84/43/711498443.db2.gz IFLZGNQLMIHWQH-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C(C)(C)C(F)F ZINC000382357634 585037131 /nfs/dbraw/zinc/03/71/31/585037131.db2.gz KGTYBDJZLHHLIO-SECBINFHSA-N 1 0 221.335 3.835 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C(C)(C)C(F)F ZINC000382357635 585037140 /nfs/dbraw/zinc/03/71/40/585037140.db2.gz KGTYBDJZLHHLIO-VIFPVBQESA-N 1 0 221.335 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(Cl)s1 ZINC000382371671 367512487 /nfs/dbraw/zinc/51/24/87/367512487.db2.gz GPRYMUBOPNSNTF-HRDYMLBCSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(Cl)s1 ZINC000382371674 367512033 /nfs/dbraw/zinc/51/20/33/367512033.db2.gz GPRYMUBOPNSNTF-XHNCKOQMSA-N 1 0 247.766 3.943 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1F ZINC000382372334 397942127 /nfs/dbraw/zinc/94/21/27/397942127.db2.gz GXJZJFCKZDWXAF-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382372359 386141280 /nfs/dbraw/zinc/14/12/80/386141280.db2.gz GXLUZDPELYHTAQ-KGYLQXTDSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382372386 386141823 /nfs/dbraw/zinc/14/18/23/386141823.db2.gz GXLUZDPELYHTAQ-WCFLWFBJSA-N 1 0 241.375 3.549 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000382375994 367511931 /nfs/dbraw/zinc/51/19/31/367511931.db2.gz HVVSGQTZZHDWJP-XQQFMLRXSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000382375996 367512161 /nfs/dbraw/zinc/51/21/61/367512161.db2.gz HVVSGQTZZHDWJP-YNEHKIRRSA-N 1 0 225.351 3.580 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000382380493 711560178 /nfs/dbraw/zinc/56/01/78/711560178.db2.gz JHSDIQPINNXHNE-LLVKDONJSA-N 1 0 241.375 3.538 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000382380494 711560006 /nfs/dbraw/zinc/56/00/06/711560006.db2.gz JHSDIQPINNXHNE-NSHDSACASA-N 1 0 241.375 3.538 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1F ZINC000382383072 397944621 /nfs/dbraw/zinc/94/46/21/397944621.db2.gz KBRSUIMNEVXVJC-AEJSXWLSSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1F ZINC000382383073 397944910 /nfs/dbraw/zinc/94/49/10/397944910.db2.gz KBRSUIMNEVXVJC-BBBLOLIVSA-N 1 0 241.272 3.588 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCSC(C)C ZINC000382385812 367513567 /nfs/dbraw/zinc/51/35/67/367513567.db2.gz MYRGJAMHXZORGI-CYBMUJFWSA-N 1 0 229.433 3.853 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCSC(C)C ZINC000382385813 367513491 /nfs/dbraw/zinc/51/34/91/367513491.db2.gz MYRGJAMHXZORGI-ZDUSSCGKSA-N 1 0 229.433 3.853 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382390487 367513433 /nfs/dbraw/zinc/51/34/33/367513433.db2.gz LZRNQLFFUYCWLM-IACUBPJLSA-N 1 0 221.388 3.591 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382390488 367513398 /nfs/dbraw/zinc/51/33/98/367513398.db2.gz LZRNQLFFUYCWLM-YUTCNCBUSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CCCCF)C1 ZINC000382395865 367515310 /nfs/dbraw/zinc/51/53/10/367515310.db2.gz ZUBGTRJQWQUVSU-CHWSQXEVSA-N 1 0 215.356 3.542 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CCCCF)C1 ZINC000382395867 367515164 /nfs/dbraw/zinc/51/51/64/367515164.db2.gz ZUBGTRJQWQUVSU-OLZOCXBDSA-N 1 0 215.356 3.542 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CCCCF)C1 ZINC000382395870 367514365 /nfs/dbraw/zinc/51/43/65/367514365.db2.gz ZUBGTRJQWQUVSU-QWHCGFSZSA-N 1 0 215.356 3.542 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CCCCF)C1 ZINC000382395873 367514457 /nfs/dbraw/zinc/51/44/57/367514457.db2.gz ZUBGTRJQWQUVSU-STQMWFEESA-N 1 0 215.356 3.542 20 0 BHADRO CC(F)(F)C[NH2+]CC1(C)CCCCCC1 ZINC000382398273 350510744 /nfs/dbraw/zinc/51/07/44/350510744.db2.gz OXEJZNHKOCAHKY-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCC[C@H]1F ZINC000382398943 367515897 /nfs/dbraw/zinc/51/58/97/367515897.db2.gz PCWTWWNFQVQFPS-LOWDOPEQSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000382398944 347310785 /nfs/dbraw/zinc/31/07/85/347310785.db2.gz PCWTWWNFQVQFPS-LPWJVIDDSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000382398945 347311103 /nfs/dbraw/zinc/31/11/03/347311103.db2.gz PCWTWWNFQVQFPS-RVMXOQNASA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@H]1F ZINC000382398946 347311105 /nfs/dbraw/zinc/31/11/05/347311105.db2.gz PCWTWWNFQVQFPS-XQHKEYJVSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000382398953 347310680 /nfs/dbraw/zinc/31/06/80/347310680.db2.gz PDKGERAPAQJZAM-BNOWGMLFSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000382398957 367515825 /nfs/dbraw/zinc/51/58/25/367515825.db2.gz PDKGERAPAQJZAM-YUTCNCBUSA-N 1 0 221.319 3.536 20 0 BHADRO CC[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC000382399453 347310698 /nfs/dbraw/zinc/31/06/98/347310698.db2.gz PIHVMJDYYWFDJR-AWEZNQCLSA-N 1 0 239.790 3.907 20 0 BHADRO CC[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC000382399456 347311090 /nfs/dbraw/zinc/31/10/90/347311090.db2.gz PIHVMJDYYWFDJR-CQSZACIVSA-N 1 0 239.790 3.907 20 0 BHADRO Cc1ccc(C[NH2+]C2(C(C)C)CC2)c(C)c1 ZINC000382401820 367516457 /nfs/dbraw/zinc/51/64/57/367516457.db2.gz QKEBWHYDQINAIB-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CCSCC[NH2+]C(C)(C)c1ccccc1C ZINC000382402376 367516159 /nfs/dbraw/zinc/51/61/59/367516159.db2.gz QPBILLWSUBJGNW-UHFFFAOYSA-N 1 0 237.412 3.573 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382402400 367516651 /nfs/dbraw/zinc/51/66/51/367516651.db2.gz QPGPYWBQRYXFDW-WXHSDQCUSA-N 1 0 235.396 3.753 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382403907 367515891 /nfs/dbraw/zinc/51/58/91/367515891.db2.gz REZFMYKINCIBRT-MQLXINIDSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382403908 347315149 /nfs/dbraw/zinc/31/51/49/347315149.db2.gz REZFMYKINCIBRT-POQQGIQPSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382403909 347315081 /nfs/dbraw/zinc/31/50/81/347315081.db2.gz REZFMYKINCIBRT-XGFWRYKXSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382403910 347315187 /nfs/dbraw/zinc/31/51/87/347315187.db2.gz REZFMYKINCIBRT-ZSLBOAEBSA-N 1 0 227.367 3.681 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000382406067 367516365 /nfs/dbraw/zinc/51/63/65/367516365.db2.gz SAIPGIVOZAKKNT-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CC(F)(F)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000382406081 367516690 /nfs/dbraw/zinc/51/66/90/367516690.db2.gz SAIPGIVOZAKKNT-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382407831 367515903 /nfs/dbraw/zinc/51/59/03/367515903.db2.gz SNZNDKOMUSQALY-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382407837 367515805 /nfs/dbraw/zinc/51/58/05/367515805.db2.gz SNZNDKOMUSQALY-USWWRNFRSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000382411140 367517891 /nfs/dbraw/zinc/51/78/91/367517891.db2.gz UMOBUWWSABVJGX-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000382411179 367517617 /nfs/dbraw/zinc/51/76/17/367517617.db2.gz UNCYXADLIZYANC-NOZJJQNGSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000382411180 367517800 /nfs/dbraw/zinc/51/78/00/367517800.db2.gz UNCYXADLIZYANC-RNCFNFMXSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000382411183 367517880 /nfs/dbraw/zinc/51/78/80/367517880.db2.gz UNCYXADLIZYANC-TVQRCGJNSA-N 1 0 241.737 3.665 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000382411185 367517460 /nfs/dbraw/zinc/51/74/60/367517460.db2.gz UNCYXADLIZYANC-ZANVPECISA-N 1 0 241.737 3.665 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382411968 397947043 /nfs/dbraw/zinc/94/70/43/397947043.db2.gz UTOQQSILQJIIOB-FPMFFAJLSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000382411973 397947085 /nfs/dbraw/zinc/94/70/85/397947085.db2.gz UTOQQSILQJIIOB-KWCYVHTRSA-N 1 0 227.367 3.826 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000382413158 367517399 /nfs/dbraw/zinc/51/73/99/367517399.db2.gz VEWLJBNNIDNLIT-YIFLHPOLSA-N 1 0 227.367 3.826 20 0 BHADRO CC(C)[C@H](C[NH2+]CCCCF)c1ccccc1 ZINC000382413701 367517725 /nfs/dbraw/zinc/51/77/25/367517725.db2.gz JTUFYQQBBJYPQF-HNNXBMFYSA-N 1 0 237.362 3.766 20 0 BHADRO CC(C)[C@@H](C[NH2+]CCCCF)c1ccccc1 ZINC000382413710 367517882 /nfs/dbraw/zinc/51/78/82/367517882.db2.gz JTUFYQQBBJYPQF-OAHLLOKOSA-N 1 0 237.362 3.766 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382414054 367519375 /nfs/dbraw/zinc/51/93/75/367519375.db2.gz VLSMPKHXYDPKHC-CRWXNKLISA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382414055 367518340 /nfs/dbraw/zinc/51/83/40/367518340.db2.gz VLSMPKHXYDPKHC-DGAVXFQQSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382414056 367518402 /nfs/dbraw/zinc/51/84/02/367518402.db2.gz VLSMPKHXYDPKHC-MQYQWHSLSA-N 1 0 227.367 3.826 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382414057 367518625 /nfs/dbraw/zinc/51/86/25/367518625.db2.gz VLSMPKHXYDPKHC-SYQHCUMBSA-N 1 0 227.367 3.826 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)SC ZINC000382419383 710971960 /nfs/dbraw/zinc/97/19/60/710971960.db2.gz WOHGRCWHEMEWMY-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000382426352 367519888 /nfs/dbraw/zinc/51/98/88/367519888.db2.gz YIPTUVVCIYGXDY-HZSPNIEDSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000382426359 367519971 /nfs/dbraw/zinc/51/99/71/367519971.db2.gz YIPTUVVCIYGXDY-MCIONIFRSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000382426367 367520536 /nfs/dbraw/zinc/52/05/36/367520536.db2.gz YIPTUVVCIYGXDY-MGPQQGTHSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000382426373 347332867 /nfs/dbraw/zinc/33/28/67/347332867.db2.gz YIPTUVVCIYGXDY-RDBSUJKOSA-N 1 0 221.388 3.591 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)s1 ZINC000382429866 367521350 /nfs/dbraw/zinc/52/13/50/367521350.db2.gz ZMIQGTHABNNVHH-ADEWGFFLSA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)s1 ZINC000382429873 367521367 /nfs/dbraw/zinc/52/13/67/367521367.db2.gz ZMIQGTHABNNVHH-ZMLRMANQSA-N 1 0 241.375 3.852 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2F)ccc1Cl ZINC000382430219 367522973 /nfs/dbraw/zinc/52/29/73/367522973.db2.gz ZRQIHLQFUFMTPJ-OLZOCXBDSA-N 1 0 241.737 3.629 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)OC ZINC000382431042 367522803 /nfs/dbraw/zinc/52/28/03/367522803.db2.gz ZVSPKYINRDBXJT-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)OC ZINC000382431045 367523547 /nfs/dbraw/zinc/52/35/47/367523547.db2.gz ZVSPKYINRDBXJT-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)OC ZINC000382431048 367523031 /nfs/dbraw/zinc/52/30/31/367523031.db2.gz ZVSPKYINRDBXJT-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)OC ZINC000382431051 367523338 /nfs/dbraw/zinc/52/33/38/367523338.db2.gz ZVSPKYINRDBXJT-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CSCCCCCC[NH2+]C1CC(C)(C)C1 ZINC000382438341 711478589 /nfs/dbraw/zinc/47/85/89/711478589.db2.gz QRMGUTLVWDXTFA-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1(C(C)C)CC1 ZINC000382439164 367523276 /nfs/dbraw/zinc/52/32/76/367523276.db2.gz RSKHDDVFRXCOQR-UHFFFAOYSA-N 1 0 237.774 3.927 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000382475110 711910514 /nfs/dbraw/zinc/91/05/14/711910514.db2.gz GQZSCIOOKSVYEQ-BXUZGUMPSA-N 1 0 249.423 3.966 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000382475111 711910509 /nfs/dbraw/zinc/91/05/09/711910509.db2.gz GQZSCIOOKSVYEQ-FZMZJTMJSA-N 1 0 249.423 3.966 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000382475112 711910512 /nfs/dbraw/zinc/91/05/12/711910512.db2.gz GQZSCIOOKSVYEQ-RISCZKNCSA-N 1 0 249.423 3.966 20 0 BHADRO CCC1([NH2+]Cc2cccc3cc[nH]c32)CCCC1 ZINC000382531804 367533612 /nfs/dbraw/zinc/53/36/12/367533612.db2.gz AQBDIGLACWVPDU-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CCC1([NH2+]Cc2ccsc2)CCCC1 ZINC000382532558 367533821 /nfs/dbraw/zinc/53/38/21/367533821.db2.gz ATPAWQGPEGGLSX-UHFFFAOYSA-N 1 0 209.358 3.561 20 0 BHADRO CCC1([NH2+]CCc2cccs2)CCCC1 ZINC000382537247 711679530 /nfs/dbraw/zinc/67/95/30/711679530.db2.gz BZXWTJQFFBJAPC-UHFFFAOYSA-N 1 0 223.385 3.603 20 0 BHADRO CCC1([NH2+]Cc2ccsc2C)CCCC1 ZINC000382542059 367535571 /nfs/dbraw/zinc/53/55/71/367535571.db2.gz DQWANJKRNLOMBF-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CCC1([NH2+]Cc2cccc(C)c2)CCCC1 ZINC000382543853 367535939 /nfs/dbraw/zinc/53/59/39/367535939.db2.gz CCXZZJPGBLRNBS-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)cc2C)CCCC1 ZINC000382545068 367535919 /nfs/dbraw/zinc/53/59/19/367535919.db2.gz COXQDUOAXPWVKZ-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CCC1([NH2+]Cc2cc(F)ccc2C)CCCC1 ZINC000382545949 367535959 /nfs/dbraw/zinc/53/59/59/367535959.db2.gz DALOKUHQZIPWJI-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CCC1([NH2+]CC2CCCCC2)CCCC1 ZINC000382546051 367536277 /nfs/dbraw/zinc/53/62/77/367536277.db2.gz FVWVXQVRXGSKCO-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CCc1ccc(C[NH2+]C2(CC)CCCC2)o1 ZINC000382546776 367536034 /nfs/dbraw/zinc/53/60/34/367536034.db2.gz DLFNBWXOZFVLHP-UHFFFAOYSA-N 1 0 221.344 3.654 20 0 BHADRO CCC1([NH2+]CCSC(C)(C)C)CCCC1 ZINC000382548637 710972516 /nfs/dbraw/zinc/97/25/16/710972516.db2.gz FDOBGFCFZQGMGK-UHFFFAOYSA-N 1 0 229.433 3.831 20 0 BHADRO CCC1([NH2+]Cc2cc(C)ccc2F)CCCC1 ZINC000382550727 367537065 /nfs/dbraw/zinc/53/70/65/367537065.db2.gz FXVOZVIOQNTTEO-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)cc2)CCCC1 ZINC000382553003 367538950 /nfs/dbraw/zinc/53/89/50/367538950.db2.gz GVIAKDLGSVJTNP-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO CCc1ncc(C[NH2+]C2(CC)CCCC2)s1 ZINC000382554266 357915405 /nfs/dbraw/zinc/91/54/05/357915405.db2.gz HLUFHPVLQSRYMG-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCC1([NH2+]Cc2ccccc2OC)CCCC1 ZINC000382554695 357915463 /nfs/dbraw/zinc/91/54/63/357915463.db2.gz HSRQLANGRIUNBG-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCC1([NH2+]Cc2sccc2C)CCCC1 ZINC000382555338 367538695 /nfs/dbraw/zinc/53/86/95/367538695.db2.gz IDLJAYZIKWZKAO-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CCC1([NH2+]Cc2ccc(OC)cc2)CCCC1 ZINC000382555507 367538523 /nfs/dbraw/zinc/53/85/23/367538523.db2.gz IGYVKSDSBCBMFE-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCC1([NH2+]Cc2ccncc2Cl)CCCC1 ZINC000382557090 347359041 /nfs/dbraw/zinc/35/90/41/347359041.db2.gz IZZLHDMXVBRQTP-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCC1([NH2+]Cc2cccc(OC)c2)CCCC1 ZINC000382557322 367538603 /nfs/dbraw/zinc/53/86/03/367538603.db2.gz JDLCABRODSTRDT-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO CCC1([NH2+]C[C@@H](C)C(C)(C)C)CCCC1 ZINC000382559686 397958018 /nfs/dbraw/zinc/95/80/18/397958018.db2.gz LBVHALHZEAOZFS-GFCCVEGCSA-N 1 0 211.393 3.981 20 0 BHADRO CCC1([NH2+]C[C@H](C)C(C)(C)C)CCCC1 ZINC000382559689 397957787 /nfs/dbraw/zinc/95/77/87/397957787.db2.gz LBVHALHZEAOZFS-LBPRGKRZSA-N 1 0 211.393 3.981 20 0 BHADRO CCC1([NH2+]Cc2ccccc2F)CCCC1 ZINC000382560030 367540159 /nfs/dbraw/zinc/54/01/59/367540159.db2.gz KKUAUYFBUZNCDU-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO CCC1([NH2+]Cc2cccc(F)c2)CCCC1 ZINC000382561659 367539679 /nfs/dbraw/zinc/53/96/79/367539679.db2.gz LJSJVCAYKUIYBY-UHFFFAOYSA-N 1 0 221.319 3.638 20 0 BHADRO CCC1([NH2+]Cc2cccc3[nH]ccc32)CCCC1 ZINC000382563707 367540725 /nfs/dbraw/zinc/54/07/25/367540725.db2.gz MTAYKCVVFPOQIT-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CCC1([NH2+]Cc2ccc3[nH]ccc3c2)CCCC1 ZINC000382563735 367541422 /nfs/dbraw/zinc/54/14/22/367541422.db2.gz MULKSVJNJBUXQV-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CCC1([NH2+]Cc2sc(C)nc2C)CCCC1 ZINC000382565480 367541408 /nfs/dbraw/zinc/54/14/08/367541408.db2.gz NVPJVDHMGZECSN-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CCOc1ccc(C[NH2+]C2(CC)CCCC2)cc1 ZINC000382566538 367541498 /nfs/dbraw/zinc/54/14/98/367541498.db2.gz OFBRVEPJZADQJQ-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO CCC1([NH2+]CCSC(F)(F)F)CCCC1 ZINC000382568871 710972536 /nfs/dbraw/zinc/97/25/36/710972536.db2.gz PWIWIKKUEXJAJY-UHFFFAOYSA-N 1 0 241.322 3.552 20 0 BHADRO CCC1([NH2+]C/C(Cl)=C/Cl)CCCC1 ZINC000382570341 711452866 /nfs/dbraw/zinc/45/28/66/711452866.db2.gz QBISCCXXVYRIAS-CLFYSBASSA-N 1 0 222.159 3.618 20 0 BHADRO CCC1([NH2+]C/C(Cl)=C\Cl)CCCC1 ZINC000382570342 711452818 /nfs/dbraw/zinc/45/28/18/711452818.db2.gz QBISCCXXVYRIAS-VQHVLOKHSA-N 1 0 222.159 3.618 20 0 BHADRO CCC1([NH2+]Cc2cc(C)ccc2OC)CCCC1 ZINC000382570785 367542580 /nfs/dbraw/zinc/54/25/80/367542580.db2.gz QERJCOCJLNILBK-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)o2)CCCC1 ZINC000382570878 367541725 /nfs/dbraw/zinc/54/17/25/367541725.db2.gz RCQGCWFPIZQALA-UHFFFAOYSA-N 1 0 227.735 3.745 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(C)c2)CCCC1 ZINC000382570893 367542209 /nfs/dbraw/zinc/54/22/09/367542209.db2.gz RCUPFCYICRNJLZ-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO CCC1([NH2+]CCCc2ccccc2)CCCC1 ZINC000382571526 367541830 /nfs/dbraw/zinc/54/18/30/367541830.db2.gz RLZLWAMANCTHDA-UHFFFAOYSA-N 1 0 231.383 3.932 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)s2)CCCC1 ZINC000382571995 367542037 /nfs/dbraw/zinc/54/20/37/367542037.db2.gz RVJAMGAOBDKXQH-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CCC1([NH2+]CCc2ccccc2)CCCC1 ZINC000382572504 367541889 /nfs/dbraw/zinc/54/18/89/367541889.db2.gz SEXMGSCBMCNCAT-UHFFFAOYSA-N 1 0 217.356 3.542 20 0 BHADRO CCC1([NH2+]Cc2ccccc2C)CCCC1 ZINC000382572816 367541954 /nfs/dbraw/zinc/54/19/54/367541954.db2.gz SHMKHZAISKGBSO-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO CCC1([NH2+]C[C@@H]2CC=CCC2)CCCC1 ZINC000382575154 367543971 /nfs/dbraw/zinc/54/39/71/367543971.db2.gz SZPRSMQKEVIXNK-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CCC1([NH2+]C[C@H]2CC=CCC2)CCCC1 ZINC000382575155 367543179 /nfs/dbraw/zinc/54/31/79/367543179.db2.gz SZPRSMQKEVIXNK-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CCC1([NH2+]Cc2ccc(COC)cc2)CCCC1 ZINC000382581610 367545387 /nfs/dbraw/zinc/54/53/87/367545387.db2.gz VXAZCAOEDRPXLV-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCC1([NH2+]Cc2csc(C)c2)CCCC1 ZINC000382581875 367544678 /nfs/dbraw/zinc/54/46/78/367544678.db2.gz WAETZJFWWNILQN-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CCC1([NH2+]Cc2ccc3cc[nH]c3c2)CCCC1 ZINC000382582431 397961857 /nfs/dbraw/zinc/96/18/57/397961857.db2.gz WHBHJEZLYWKACZ-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO CCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC000382582827 367545489 /nfs/dbraw/zinc/54/54/89/367545489.db2.gz YSXHHYGPJDYSIC-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC000382582828 367545591 /nfs/dbraw/zinc/54/55/91/367545591.db2.gz YSXHHYGPJDYSIC-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCc1nc(C[NH2+]C2(CC)CCCC2)cs1 ZINC000382582906 357919428 /nfs/dbraw/zinc/91/94/28/357919428.db2.gz YUUKSNBHZWJHQE-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCC1([NH2+]Cc2cccs2)CCCC1 ZINC000382587348 367544958 /nfs/dbraw/zinc/54/49/58/367544958.db2.gz XUHXYMWVXBOASH-UHFFFAOYSA-N 1 0 209.358 3.561 20 0 BHADRO CCC1([NH2+]CCC2CCCC2)CCCC1 ZINC000382591288 367546840 /nfs/dbraw/zinc/54/68/40/367546840.db2.gz ZEEULNOIWBAEAW-UHFFFAOYSA-N 1 0 209.377 3.879 20 0 BHADRO CCC1([NH2+]Cc2cccc(F)c2F)CCCC1 ZINC000382592979 367546802 /nfs/dbraw/zinc/54/68/02/367546802.db2.gz DURYJBNWCGGMIP-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC1([NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC000382592985 367546427 /nfs/dbraw/zinc/54/64/27/367546427.db2.gz DVVOZXLUBZKYBU-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC000382597030 367546552 /nfs/dbraw/zinc/54/65/52/367546552.db2.gz JRXNBIHONJTGSX-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC1([NH2+]CCc2ccc(OC)cc2)CCCC1 ZINC000382598435 367546304 /nfs/dbraw/zinc/54/63/04/367546304.db2.gz LDSFTPNTNWJYJU-UHFFFAOYSA-N 1 0 247.382 3.550 20 0 BHADRO CCC1([NH2+]Cc2ccc(C#N)cc2C)CCCC1 ZINC000382600735 350891826 /nfs/dbraw/zinc/89/18/26/350891826.db2.gz OBJNTFQZIUYMLE-UHFFFAOYSA-N 1 0 242.366 3.679 20 0 BHADRO CCC1([NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC000382604767 367548735 /nfs/dbraw/zinc/54/87/35/367548735.db2.gz RSMKKXSGMPUPBC-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC1([NH2+]CCCOc2ccccc2)CCCC1 ZINC000382608519 367547876 /nfs/dbraw/zinc/54/78/76/367547876.db2.gz WSGWGARPJWZZHH-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC000382609002 367548706 /nfs/dbraw/zinc/54/87/06/367548706.db2.gz XAXVXQMEAFYXBU-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CCC1([NH2+]CCOCc2ccccc2)CCCC1 ZINC000382609614 397965262 /nfs/dbraw/zinc/96/52/62/397965262.db2.gz XXZCBBVDKPJMCQ-UHFFFAOYSA-N 1 0 247.382 3.516 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000382678045 350946506 /nfs/dbraw/zinc/94/65/06/350946506.db2.gz AIHJFNBLNLROBG-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000382679844 367553485 /nfs/dbraw/zinc/55/34/85/367553485.db2.gz LGJQMTJYBKOXKV-CHWSQXEVSA-N 1 0 235.371 3.725 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000382679845 367553097 /nfs/dbraw/zinc/55/30/97/367553097.db2.gz LGJQMTJYBKOXKV-OLZOCXBDSA-N 1 0 235.371 3.725 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000382679854 367553340 /nfs/dbraw/zinc/55/33/40/367553340.db2.gz LGJQMTJYBKOXKV-QWHCGFSZSA-N 1 0 235.371 3.725 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000382679858 367553656 /nfs/dbraw/zinc/55/36/56/367553656.db2.gz LGJQMTJYBKOXKV-STQMWFEESA-N 1 0 235.371 3.725 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C1CCCC1 ZINC000382772876 397979882 /nfs/dbraw/zinc/97/98/82/397979882.db2.gz AAZMYQYELRLODC-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C1CCCC1 ZINC000382772877 397979827 /nfs/dbraw/zinc/97/98/27/397979827.db2.gz AAZMYQYELRLODC-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C1CCCC1 ZINC000382772878 397979815 /nfs/dbraw/zinc/97/98/15/397979815.db2.gz AAZMYQYELRLODC-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C1CCCC1 ZINC000382772879 397979500 /nfs/dbraw/zinc/97/95/00/397979500.db2.gz AAZMYQYELRLODC-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000382778120 367555744 /nfs/dbraw/zinc/55/57/44/367555744.db2.gz DMJUITFMPKAQDT-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000382778121 367556260 /nfs/dbraw/zinc/55/62/60/367556260.db2.gz DMJUITFMPKAQDT-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000382778122 367556650 /nfs/dbraw/zinc/55/66/50/367556650.db2.gz DMJUITFMPKAQDT-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000382778123 367556699 /nfs/dbraw/zinc/55/66/99/367556699.db2.gz DMJUITFMPKAQDT-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000382783268 367555621 /nfs/dbraw/zinc/55/56/21/367555621.db2.gz IFDLRFCKSJHGNN-AYRXBEOTSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000382783269 367556181 /nfs/dbraw/zinc/55/61/81/367556181.db2.gz IFDLRFCKSJHGNN-HUBLWGQQSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000382783270 367556125 /nfs/dbraw/zinc/55/61/25/367556125.db2.gz IFDLRFCKSJHGNN-JMSVASOKSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000382783271 367556160 /nfs/dbraw/zinc/55/61/60/367556160.db2.gz IFDLRFCKSJHGNN-NEBZKDRISA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCC1 ZINC000382790947 367558060 /nfs/dbraw/zinc/55/80/60/367558060.db2.gz PNBXRJLGNFGYQY-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CCCC1 ZINC000382790948 367557611 /nfs/dbraw/zinc/55/76/11/367557611.db2.gz PNBXRJLGNFGYQY-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000382790950 367558097 /nfs/dbraw/zinc/55/80/97/367558097.db2.gz PNBXRJLGNFGYQY-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000382790953 367558147 /nfs/dbraw/zinc/55/81/47/367558147.db2.gz PNBXRJLGNFGYQY-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000382792994 367557522 /nfs/dbraw/zinc/55/75/22/367557522.db2.gz QQVMSTQIFMMHCH-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000382792995 367557632 /nfs/dbraw/zinc/55/76/32/367557632.db2.gz QQVMSTQIFMMHCH-RBSFLKMASA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000382792996 347418490 /nfs/dbraw/zinc/41/84/90/347418490.db2.gz QQVMSTQIFMMHCH-RRFJBIMHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000382792997 347418646 /nfs/dbraw/zinc/41/86/46/347418646.db2.gz QQVMSTQIFMMHCH-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC)CC1)C1CCCC1 ZINC000382795947 367557970 /nfs/dbraw/zinc/55/79/70/367557970.db2.gz UJZVPMMSJAAULC-NRXISQOPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC)CC1)C1CCCC1 ZINC000382795952 367557468 /nfs/dbraw/zinc/55/74/68/367557468.db2.gz UJZVPMMSJAAULC-YMAMQOFZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccoc1)C1CCCC1 ZINC000382808713 367559322 /nfs/dbraw/zinc/55/93/22/367559322.db2.gz IKTXNPFZOPPVCH-BXUZGUMPSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccoc1)C1CCCC1 ZINC000382808714 367559326 /nfs/dbraw/zinc/55/93/26/367559326.db2.gz IKTXNPFZOPPVCH-FZMZJTMJSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccoc1)C1CCCC1 ZINC000382808716 367559150 /nfs/dbraw/zinc/55/91/50/367559150.db2.gz IKTXNPFZOPPVCH-RISCZKNCSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccoc1)C1CCCC1 ZINC000382808717 367559554 /nfs/dbraw/zinc/55/95/54/367559554.db2.gz IKTXNPFZOPPVCH-SMDDNHRTSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)C1CCCC1 ZINC000382812341 367560855 /nfs/dbraw/zinc/56/08/55/367560855.db2.gz QWBZEPSYQWXQBG-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)C1CCCC1 ZINC000382812342 367560525 /nfs/dbraw/zinc/56/05/25/367560525.db2.gz QWBZEPSYQWXQBG-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cncs1)C1CCCC1 ZINC000382815553 367560639 /nfs/dbraw/zinc/56/06/39/367560639.db2.gz AXGUXPNEVQJHRS-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncs1)C1CCCC1 ZINC000382815554 367560568 /nfs/dbraw/zinc/56/05/68/367560568.db2.gz AXGUXPNEVQJHRS-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncs1)C1CCCC1 ZINC000382815555 367560950 /nfs/dbraw/zinc/56/09/50/367560950.db2.gz AXGUXPNEVQJHRS-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cncs1)C1CCCC1 ZINC000382815556 367561131 /nfs/dbraw/zinc/56/11/31/367561131.db2.gz AXGUXPNEVQJHRS-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+]Cc1cncn1C(C)C)C1CCCC1 ZINC000382819437 367561035 /nfs/dbraw/zinc/56/10/35/367561035.db2.gz JVJLAYSDNFIREA-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncn1C(C)C)C1CCCC1 ZINC000382819438 367560644 /nfs/dbraw/zinc/56/06/44/367560644.db2.gz JVJLAYSDNFIREA-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)C1CCCC1 ZINC000382824575 367562467 /nfs/dbraw/zinc/56/24/67/367562467.db2.gz SSVGSKWTOPPONT-DOMZBBRYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)C1CCCC1 ZINC000382824576 367562169 /nfs/dbraw/zinc/56/21/69/367562169.db2.gz SSVGSKWTOPPONT-IUODEOHRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)C1CCCC1 ZINC000382824577 367562373 /nfs/dbraw/zinc/56/23/73/367562373.db2.gz SSVGSKWTOPPONT-SWLSCSKDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)C1CCCC1 ZINC000382824578 367562358 /nfs/dbraw/zinc/56/23/58/367562358.db2.gz SSVGSKWTOPPONT-WFASDCNBSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+]Cc1cnn(C(C)C)c1)C1CCCC1 ZINC000382827380 367562204 /nfs/dbraw/zinc/56/22/04/367562204.db2.gz WVEBWSVCVYYPJP-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnn(C(C)C)c1)C1CCCC1 ZINC000382827381 367562251 /nfs/dbraw/zinc/56/22/51/367562251.db2.gz WVEBWSVCVYYPJP-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cscn1)C1CCCC1 ZINC000382830098 367561714 /nfs/dbraw/zinc/56/17/14/367561714.db2.gz ZAWSPQDBMZJOFL-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cscn1)C1CCCC1 ZINC000382830099 367562415 /nfs/dbraw/zinc/56/24/15/367562415.db2.gz ZAWSPQDBMZJOFL-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cscn1)C1CCCC1 ZINC000382830101 367562511 /nfs/dbraw/zinc/56/25/11/367562511.db2.gz ZAWSPQDBMZJOFL-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cscn1)C1CCCC1 ZINC000382830103 367561746 /nfs/dbraw/zinc/56/17/46/367561746.db2.gz ZAWSPQDBMZJOFL-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO CC(C)c1cccc(N[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000382831834 367562347 /nfs/dbraw/zinc/56/23/47/367562347.db2.gz JOILYFWUZCTCCW-BBRMVZONSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1cccc(N[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000382831836 367561627 /nfs/dbraw/zinc/56/16/27/367561627.db2.gz JOILYFWUZCTCCW-CJNGLKHVSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1cccc(N[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000382831838 367562306 /nfs/dbraw/zinc/56/23/06/367562306.db2.gz JOILYFWUZCTCCW-CZUORRHYSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1cccc(N[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000382831840 367562533 /nfs/dbraw/zinc/56/25/33/367562533.db2.gz JOILYFWUZCTCCW-XJKSGUPXSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1ccc(N[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000382837295 367561814 /nfs/dbraw/zinc/56/18/14/367561814.db2.gz PYFCULFEIGFUGI-BBRMVZONSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1ccc(N[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000382837296 367561967 /nfs/dbraw/zinc/56/19/67/367561967.db2.gz PYFCULFEIGFUGI-CJNGLKHVSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1ccc(N[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000382837297 367562502 /nfs/dbraw/zinc/56/25/02/367562502.db2.gz PYFCULFEIGFUGI-CZUORRHYSA-N 1 0 246.398 3.562 20 0 BHADRO CC(C)c1ccc(N[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000382837298 367562191 /nfs/dbraw/zinc/56/21/91/367562191.db2.gz PYFCULFEIGFUGI-XJKSGUPXSA-N 1 0 246.398 3.562 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000382880507 367564858 /nfs/dbraw/zinc/56/48/58/367564858.db2.gz GOBFRRBFDMLRBV-GHMZBOCLSA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000382880508 367564900 /nfs/dbraw/zinc/56/49/00/367564900.db2.gz GOBFRRBFDMLRBV-MNOVXSKESA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000382880509 367564896 /nfs/dbraw/zinc/56/48/96/367564896.db2.gz GOBFRRBFDMLRBV-QWRGUYRKSA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000382880510 367564790 /nfs/dbraw/zinc/56/47/90/367564790.db2.gz GOBFRRBFDMLRBV-WDEREUQCSA-N 1 0 249.379 3.587 20 0 BHADRO CCCC1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000382982201 367579703 /nfs/dbraw/zinc/57/97/03/367579703.db2.gz FVAPYFBFKZNAST-TWGQIWQCSA-N 1 0 229.367 3.870 20 0 BHADRO CCC1(C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC000383007660 367584287 /nfs/dbraw/zinc/58/42/87/367584287.db2.gz BFAWNUBMUGADKL-POHAHGRESA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1 ZINC000383007757 367583966 /nfs/dbraw/zinc/58/39/66/367583966.db2.gz FDCSELFVXWTPGD-OFSNVTPPSA-N 1 0 243.272 3.630 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1 ZINC000383007759 347541613 /nfs/dbraw/zinc/54/16/13/347541613.db2.gz FDCSELFVXWTPGD-UIJKISKDSA-N 1 0 243.272 3.630 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCCOC(C)C)C1CC1 ZINC000383025210 367586576 /nfs/dbraw/zinc/58/65/76/367586576.db2.gz VNCNNRJORQBWAZ-HNNXBMFYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCCOC(C)C)C1CC1 ZINC000383025212 367586660 /nfs/dbraw/zinc/58/66/60/367586660.db2.gz VNCNNRJORQBWAZ-OAHLLOKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC000383029640 710841356 /nfs/dbraw/zinc/84/13/56/710841356.db2.gz CKQBNWPKWFWIGI-LLVKDONJSA-N 1 0 238.375 3.740 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC000383029642 710841754 /nfs/dbraw/zinc/84/17/54/710841754.db2.gz CKQBNWPKWFWIGI-NSHDSACASA-N 1 0 238.375 3.740 20 0 BHADRO FC1(F)CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000383030824 398257079 /nfs/dbraw/zinc/25/70/79/398257079.db2.gz CXVPDZDWOJZTQB-NEPJUHHUSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000383030836 398257096 /nfs/dbraw/zinc/25/70/96/398257096.db2.gz CXVPDZDWOJZTQB-NWDGAFQWSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000383030840 398257051 /nfs/dbraw/zinc/25/70/51/398257051.db2.gz CXVPDZDWOJZTQB-RYUDHWBXSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000383030852 397997164 /nfs/dbraw/zinc/99/71/64/397997164.db2.gz CXVPDZDWOJZTQB-VXGBXAGGSA-N 1 0 243.341 3.877 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000383067002 397998057 /nfs/dbraw/zinc/99/80/57/397998057.db2.gz DYXXOHJYPAFOBA-GFCCVEGCSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000383067004 397997548 /nfs/dbraw/zinc/99/75/48/397997548.db2.gz DYXXOHJYPAFOBA-LBPRGKRZSA-N 1 0 249.379 3.760 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCCO1 ZINC000383077139 644535645 /nfs/dbraw/zinc/53/56/45/644535645.db2.gz HNMQDSOUOJXVDI-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCCO1 ZINC000383077143 644535585 /nfs/dbraw/zinc/53/55/85/644535585.db2.gz HNMQDSOUOJXVDI-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCCO1 ZINC000383077150 644535480 /nfs/dbraw/zinc/53/54/80/644535480.db2.gz HNMQDSOUOJXVDI-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCCO1 ZINC000383077152 644536140 /nfs/dbraw/zinc/53/61/40/644536140.db2.gz HNMQDSOUOJXVDI-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000383079141 644535748 /nfs/dbraw/zinc/53/57/48/644535748.db2.gz IGXRTVUPJTXKBT-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000383079143 644536034 /nfs/dbraw/zinc/53/60/34/644536034.db2.gz IGXRTVUPJTXKBT-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000383079147 644536111 /nfs/dbraw/zinc/53/61/11/644536111.db2.gz IGXRTVUPJTXKBT-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000383079148 541513723 /nfs/dbraw/zinc/51/37/23/541513723.db2.gz IGXRTVUPJTXKBT-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC(C)(C)C1 ZINC000383090426 367594217 /nfs/dbraw/zinc/59/42/17/367594217.db2.gz BXTGKBSREAPXEJ-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CC(C)(C)C1 ZINC000383090427 367595215 /nfs/dbraw/zinc/59/52/15/367595215.db2.gz BXTGKBSREAPXEJ-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CC(C)(C)C1 ZINC000383090428 367595232 /nfs/dbraw/zinc/59/52/32/367595232.db2.gz BXTGKBSREAPXEJ-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CC(C)(C)C1 ZINC000383090430 367594582 /nfs/dbraw/zinc/59/45/82/367594582.db2.gz BXTGKBSREAPXEJ-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CC1CC(F)(F)C1 ZINC000383094410 367594274 /nfs/dbraw/zinc/59/42/74/367594274.db2.gz AAVQNEHQYFUPOO-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCCC23CCCC3)cs1 ZINC000383101225 367596852 /nfs/dbraw/zinc/59/68/52/367596852.db2.gz BWEWAEUSMXQMKY-AWEZNQCLSA-N 1 0 249.423 3.993 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCCC23CCCC3)cs1 ZINC000383101226 367596307 /nfs/dbraw/zinc/59/63/07/367596307.db2.gz BWEWAEUSMXQMKY-CQSZACIVSA-N 1 0 249.423 3.993 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383110705 367596218 /nfs/dbraw/zinc/59/62/18/367596218.db2.gz HUGNQWDFMHKZNT-CYBMUJFWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383110707 367597445 /nfs/dbraw/zinc/59/74/45/367597445.db2.gz HUGNQWDFMHKZNT-ZDUSSCGKSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(CC)(CC)[NH2+]CC1CC(F)(F)C1 ZINC000383112322 367597271 /nfs/dbraw/zinc/59/72/71/367597271.db2.gz ABJYQUXLRLKWEX-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1csc(C[NH2+]Cc2cc(C)cc(C)c2)c1 ZINC000383116593 367597933 /nfs/dbraw/zinc/59/79/33/367597933.db2.gz SDYVBEVGGDJUFC-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCCC1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000383125425 367599744 /nfs/dbraw/zinc/59/97/44/367599744.db2.gz CEXZVSMGQWINNO-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000383126727 367599342 /nfs/dbraw/zinc/59/93/42/367599342.db2.gz UOGHBCQRDKQOFN-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCCOCC1CC1 ZINC000383127374 367599791 /nfs/dbraw/zinc/59/97/91/367599791.db2.gz HWWWYPYHEIDTAA-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCCOCC1CC1 ZINC000383127378 367599525 /nfs/dbraw/zinc/59/95/25/367599525.db2.gz HWWWYPYHEIDTAA-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1F ZINC000383133562 367599073 /nfs/dbraw/zinc/59/90/73/367599073.db2.gz DIDVNKBODZGHNY-SECBINFHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1F ZINC000383133563 347802645 /nfs/dbraw/zinc/80/26/45/347802645.db2.gz DIDVNKBODZGHNY-VIFPVBQESA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@H]1CCCCO1 ZINC000383134814 710977675 /nfs/dbraw/zinc/97/76/75/710977675.db2.gz WAOLQCPTEUBLJR-DZGCQCFKSA-N 1 0 239.403 3.647 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@@H]1CCCCO1 ZINC000383134840 710978024 /nfs/dbraw/zinc/97/80/24/710978024.db2.gz WAOLQCPTEUBLJR-HIFRSBDPSA-N 1 0 239.403 3.647 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@H]1CCCCO1 ZINC000383134844 710977905 /nfs/dbraw/zinc/97/79/05/710977905.db2.gz WAOLQCPTEUBLJR-UKRRQHHQSA-N 1 0 239.403 3.647 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@@H]1CCCCO1 ZINC000383134858 710977253 /nfs/dbraw/zinc/97/72/53/710977253.db2.gz WAOLQCPTEUBLJR-ZFWWWQNUSA-N 1 0 239.403 3.647 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cc(C)cs2)cc1 ZINC000383135944 367599568 /nfs/dbraw/zinc/59/95/68/367599568.db2.gz WGIYUXQDGQAVHP-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000383140176 367600644 /nfs/dbraw/zinc/60/06/44/367600644.db2.gz MGTJSVIEEGXHLF-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC(C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000383140177 367600526 /nfs/dbraw/zinc/60/05/26/367600526.db2.gz MGTJSVIEEGXHLF-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383155311 367602717 /nfs/dbraw/zinc/60/27/17/367602717.db2.gz OZUCEQKWVMGRFR-CMPLNLGQSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383155312 367602145 /nfs/dbraw/zinc/60/21/45/367602145.db2.gz OZUCEQKWVMGRFR-JQWIXIFHSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383155313 367602164 /nfs/dbraw/zinc/60/21/64/367602164.db2.gz OZUCEQKWVMGRFR-PWSUYJOCSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383155314 367602759 /nfs/dbraw/zinc/60/27/59/367602759.db2.gz OZUCEQKWVMGRFR-ZYHUDNBSSA-N 1 0 243.341 3.614 20 0 BHADRO CC(C)C1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000383156449 367603052 /nfs/dbraw/zinc/60/30/52/367603052.db2.gz PGXBYKHWFFFFOV-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H](C[NH2+]C1CCC(CCC)CC1)OC ZINC000383158399 367603002 /nfs/dbraw/zinc/60/30/02/367603002.db2.gz HRPUWHKAVDDMKE-NRXISQOPSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+]C1CCC(CCC)CC1)OC ZINC000383158409 367602766 /nfs/dbraw/zinc/60/27/66/367602766.db2.gz HRPUWHKAVDDMKE-YMAMQOFZSA-N 1 0 241.419 3.750 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000383170467 367603814 /nfs/dbraw/zinc/60/38/14/367603814.db2.gz GTZLOEPPFSPGLJ-LLVKDONJSA-N 1 0 241.325 3.945 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000383170470 367604323 /nfs/dbraw/zinc/60/43/23/367604323.db2.gz GTZLOEPPFSPGLJ-NSHDSACASA-N 1 0 241.325 3.945 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383177209 367603565 /nfs/dbraw/zinc/60/35/65/367603565.db2.gz MEYSLMQTIRDIQN-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383177212 367603766 /nfs/dbraw/zinc/60/37/66/367603766.db2.gz MEYSLMQTIRDIQN-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383177214 367604493 /nfs/dbraw/zinc/60/44/93/367604493.db2.gz MEYSLMQTIRDIQN-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383177216 367603857 /nfs/dbraw/zinc/60/38/57/367603857.db2.gz MEYSLMQTIRDIQN-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccccc1F)C1CC1 ZINC000383193564 367605716 /nfs/dbraw/zinc/60/57/16/367605716.db2.gz SKSUOAZHHHTVNC-UHFFFAOYSA-N 1 0 235.346 3.742 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383198969 367605958 /nfs/dbraw/zinc/60/59/58/367605958.db2.gz YOMXRRLEHYFLKK-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383198970 367605599 /nfs/dbraw/zinc/60/55/99/367605599.db2.gz YOMXRRLEHYFLKK-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383198971 367605037 /nfs/dbraw/zinc/60/50/37/367605037.db2.gz YOMXRRLEHYFLKK-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383198972 367605192 /nfs/dbraw/zinc/60/51/92/367605192.db2.gz YOMXRRLEHYFLKK-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CC(C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000383204068 367607154 /nfs/dbraw/zinc/60/71/54/367607154.db2.gz ZUKXFYPILTWZNY-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)Cc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000383207929 367607258 /nfs/dbraw/zinc/60/72/58/367607258.db2.gz WZSVGFZDKJBXTO-CYBMUJFWSA-N 1 0 237.362 3.895 20 0 BHADRO CC(C)Cc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000383207955 367606993 /nfs/dbraw/zinc/60/69/93/367606993.db2.gz WZSVGFZDKJBXTO-ZDUSSCGKSA-N 1 0 237.362 3.895 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccn2)s1 ZINC000383217714 711476386 /nfs/dbraw/zinc/47/63/86/711476386.db2.gz YQGFWHIPXJMYEY-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccn2)s1 ZINC000383217749 711476473 /nfs/dbraw/zinc/47/64/73/711476473.db2.gz YQGFWHIPXJMYEY-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)C1CCCCCC1 ZINC000383222948 367608603 /nfs/dbraw/zinc/60/86/03/367608603.db2.gz SDRXTMOOODULQL-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCCCC1 ZINC000383224499 347998400 /nfs/dbraw/zinc/99/84/00/347998400.db2.gz SLUDBZHGZUOAGT-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CC1CC(F)(F)C1)C1CCCCC1 ZINC000383224500 347998389 /nfs/dbraw/zinc/99/83/89/347998389.db2.gz SLUDBZHGZUOAGT-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)c2ccccc21 ZINC000383232895 367608754 /nfs/dbraw/zinc/60/87/54/367608754.db2.gz CGBKRJPMTZIPPW-DVOMOZLQSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)c2ccccc21 ZINC000383232896 367608383 /nfs/dbraw/zinc/60/83/83/367608383.db2.gz CGBKRJPMTZIPPW-IOASZLSFSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)c2ccccc21 ZINC000383232897 367608322 /nfs/dbraw/zinc/60/83/22/367608322.db2.gz CGBKRJPMTZIPPW-WWGRRREGSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)c2ccccc21 ZINC000383232899 367608660 /nfs/dbraw/zinc/60/86/60/367608660.db2.gz CGBKRJPMTZIPPW-XJKCOSOUSA-N 1 0 227.351 3.933 20 0 BHADRO CCOCC(C)(C)C[NH2+]C1CCC(C)(C)CC1 ZINC000383234802 367608118 /nfs/dbraw/zinc/60/81/18/367608118.db2.gz CMXGJTPTNNGPAB-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C[NH2+]C[C@H](C)C1CCCCC1)OC ZINC000383236134 398011745 /nfs/dbraw/zinc/01/17/45/398011745.db2.gz VEFCZGQRSPWERU-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C[NH2+]C[C@@H](C)C1CCCCC1)OC ZINC000383236137 398012276 /nfs/dbraw/zinc/01/22/76/398012276.db2.gz VEFCZGQRSPWERU-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C[NH2+]C[C@@H](C)C1CCCCC1)OC ZINC000383236139 398011797 /nfs/dbraw/zinc/01/17/97/398011797.db2.gz VEFCZGQRSPWERU-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C[NH2+]C[C@H](C)C1CCCCC1)OC ZINC000383236141 398012077 /nfs/dbraw/zinc/01/20/77/398012077.db2.gz VEFCZGQRSPWERU-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000383237054 710978784 /nfs/dbraw/zinc/97/87/84/710978784.db2.gz VKDLJJRLGWSCLE-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000383237055 710979356 /nfs/dbraw/zinc/97/93/56/710979356.db2.gz VKDLJJRLGWSCLE-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000383237056 710978496 /nfs/dbraw/zinc/97/84/96/710978496.db2.gz VKDLJJRLGWSCLE-RWMBFGLXSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000383237057 710978848 /nfs/dbraw/zinc/97/88/48/710978848.db2.gz VKDLJJRLGWSCLE-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)OC ZINC000383242195 367608365 /nfs/dbraw/zinc/60/83/65/367608365.db2.gz ZPANQAWKWIHUTA-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)OC ZINC000383242202 367608730 /nfs/dbraw/zinc/60/87/30/367608730.db2.gz ZPANQAWKWIHUTA-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)OC ZINC000383242221 367608110 /nfs/dbraw/zinc/60/81/10/367608110.db2.gz ZPANQAWKWIHUTA-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)OC ZINC000383242229 367607892 /nfs/dbraw/zinc/60/78/92/367607892.db2.gz ZPANQAWKWIHUTA-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)c2ccccc21 ZINC000383247758 367609820 /nfs/dbraw/zinc/60/98/20/367609820.db2.gz QKTJNPMRILSDOX-GWCFXTLKSA-N 1 0 239.309 3.870 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)c2ccccc21 ZINC000383247777 367609802 /nfs/dbraw/zinc/60/98/02/367609802.db2.gz QKTJNPMRILSDOX-GXFFZTMASA-N 1 0 239.309 3.870 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)c2ccccc21 ZINC000383247780 367609380 /nfs/dbraw/zinc/60/93/80/367609380.db2.gz QKTJNPMRILSDOX-MFKMUULPSA-N 1 0 239.309 3.870 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)c2ccccc21 ZINC000383247789 367609651 /nfs/dbraw/zinc/60/96/51/367609651.db2.gz QKTJNPMRILSDOX-ZWNOBZJWSA-N 1 0 239.309 3.870 20 0 BHADRO CCC[C@]1([NH2+]CC2CCCCCC2)CCOC1 ZINC000383248050 367609727 /nfs/dbraw/zinc/60/97/27/367609727.db2.gz QMOUHDHTZJBKIL-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC[C@@]1([NH2+]CC2CCCCCC2)CCOC1 ZINC000383248052 367609109 /nfs/dbraw/zinc/60/91/09/367609109.db2.gz QMOUHDHTZJBKIL-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000383263534 367609241 /nfs/dbraw/zinc/60/92/41/367609241.db2.gz GJJQDPXAWGCXSG-DRPJVOAASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000383263537 367609403 /nfs/dbraw/zinc/60/94/03/367609403.db2.gz GJJQDPXAWGCXSG-OJLVUWQFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000383263539 367609580 /nfs/dbraw/zinc/60/95/80/367609580.db2.gz GJJQDPXAWGCXSG-UKMLZYKCSA-N 1 0 229.367 3.568 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1ccccc1C1CC1 ZINC000383284306 398257270 /nfs/dbraw/zinc/25/72/70/398257270.db2.gz YXJANBOSCQVEAG-UHFFFAOYSA-N 1 0 239.309 3.699 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000383296721 367610773 /nfs/dbraw/zinc/61/07/73/367610773.db2.gz LASXTJONWMBXEF-ASEORRQLSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000383296722 367611046 /nfs/dbraw/zinc/61/10/46/367611046.db2.gz LASXTJONWMBXEF-GHYVTOPFSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000383296723 367612486 /nfs/dbraw/zinc/61/24/86/367612486.db2.gz LASXTJONWMBXEF-IGHBBLSQSA-N 1 0 247.407 3.904 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000383299453 487602333 /nfs/dbraw/zinc/60/23/33/487602333.db2.gz LODDDZKBPHIUNB-AGIUHOORSA-N 1 0 249.423 3.804 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383308749 398257563 /nfs/dbraw/zinc/25/75/63/398257563.db2.gz VFTXMWQXCRSIHV-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383308752 398257329 /nfs/dbraw/zinc/25/73/29/398257329.db2.gz VFTXMWQXCRSIHV-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383308755 398016328 /nfs/dbraw/zinc/01/63/28/398016328.db2.gz VFTXMWQXCRSIHV-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383308765 398016320 /nfs/dbraw/zinc/01/63/20/398016320.db2.gz VFTXMWQXCRSIHV-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000383317707 367612000 /nfs/dbraw/zinc/61/20/00/367612000.db2.gz BQYXIECTFSGMFI-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000383317710 367612172 /nfs/dbraw/zinc/61/21/72/367612172.db2.gz BQYXIECTFSGMFI-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000383356435 348436691 /nfs/dbraw/zinc/43/66/91/348436691.db2.gz VOQQAUDLUQTUOM-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000383356436 348436922 /nfs/dbraw/zinc/43/69/22/348436922.db2.gz VOQQAUDLUQTUOM-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000383359644 367617123 /nfs/dbraw/zinc/61/71/23/367617123.db2.gz SDHQDBCUROTOFM-BFQNTYOBSA-N 1 0 229.367 3.624 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000383359646 367616920 /nfs/dbraw/zinc/61/69/20/367616920.db2.gz SDHQDBCUROTOFM-MKBNYLNASA-N 1 0 229.367 3.624 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000383359648 367616889 /nfs/dbraw/zinc/61/68/89/367616889.db2.gz SDHQDBCUROTOFM-MQIPJXDCSA-N 1 0 229.367 3.624 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000383359649 367616815 /nfs/dbraw/zinc/61/68/15/367616815.db2.gz SDHQDBCUROTOFM-WQGACYEGSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000383363083 367616326 /nfs/dbraw/zinc/61/63/26/367616326.db2.gz UDHUNRVHBIWRSE-DZKIICNBSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000383363084 367617148 /nfs/dbraw/zinc/61/71/48/367617148.db2.gz UDHUNRVHBIWRSE-IJEWVQPXSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000383363086 367616705 /nfs/dbraw/zinc/61/67/05/367616705.db2.gz UDHUNRVHBIWRSE-OFQRWUPVSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000383363087 367617060 /nfs/dbraw/zinc/61/70/60/367617060.db2.gz UDHUNRVHBIWRSE-YCPHGPKFSA-N 1 0 231.383 3.704 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367052 367616978 /nfs/dbraw/zinc/61/69/78/367616978.db2.gz VMPQJEKTASCMIY-NOZJJQNGSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367054 367616355 /nfs/dbraw/zinc/61/63/55/367616355.db2.gz VMPQJEKTASCMIY-RNCFNFMXSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367063 348466360 /nfs/dbraw/zinc/46/63/60/348466360.db2.gz VMPQJEKTASCMIY-TVQRCGJNSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367065 348466288 /nfs/dbraw/zinc/46/62/88/348466288.db2.gz VMPQJEKTASCMIY-ZANVPECISA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000383377632 367617804 /nfs/dbraw/zinc/61/78/04/367617804.db2.gz ACPVVDYVARAKOD-CABCVRRESA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000383377636 367618116 /nfs/dbraw/zinc/61/81/16/367618116.db2.gz ACPVVDYVARAKOD-GJZGRUSLSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000383377641 367617958 /nfs/dbraw/zinc/61/79/58/367617958.db2.gz ACPVVDYVARAKOD-HUUCEWRRSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000383377645 367618513 /nfs/dbraw/zinc/61/85/13/367618513.db2.gz ACPVVDYVARAKOD-LSDHHAIUSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC1(C)C ZINC000383380373 711657815 /nfs/dbraw/zinc/65/78/15/711657815.db2.gz FGSLRMVKIXCPTO-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC1(C)C ZINC000383380374 711657742 /nfs/dbraw/zinc/65/77/42/711657742.db2.gz FGSLRMVKIXCPTO-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC1(C)C ZINC000383380375 711657753 /nfs/dbraw/zinc/65/77/53/711657753.db2.gz FGSLRMVKIXCPTO-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC1(C)C ZINC000383380376 711657786 /nfs/dbraw/zinc/65/77/86/711657786.db2.gz FGSLRMVKIXCPTO-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)c(F)c1 ZINC000383381887 367617867 /nfs/dbraw/zinc/61/78/67/367617867.db2.gz BPGKEDWFYKNGEW-NOZJJQNGSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)c(F)c1 ZINC000383381889 367618434 /nfs/dbraw/zinc/61/84/34/367618434.db2.gz BPGKEDWFYKNGEW-RNCFNFMXSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)c(F)c1 ZINC000383381898 348537014 /nfs/dbraw/zinc/53/70/14/348537014.db2.gz BPGKEDWFYKNGEW-TVQRCGJNSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)c(F)c1 ZINC000383381900 348536769 /nfs/dbraw/zinc/53/67/69/348536769.db2.gz BPGKEDWFYKNGEW-ZANVPECISA-N 1 0 239.309 3.804 20 0 BHADRO COCCC(C)(C)C[NH2+]CC(C(C)C)C(C)C ZINC000383385969 367618317 /nfs/dbraw/zinc/61/83/17/367618317.db2.gz HYZCCCSBMZUYSF-UHFFFAOYSA-N 1 0 243.435 3.567 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1 ZINC000383419292 710981695 /nfs/dbraw/zinc/98/16/95/710981695.db2.gz XZTVZLFEIIWGTB-CQDKDKBSSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1 ZINC000383419293 710981304 /nfs/dbraw/zinc/98/13/04/710981304.db2.gz XZTVZLFEIIWGTB-DFBGVHRSSA-N 1 0 235.346 3.911 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1 ZINC000383419294 710981846 /nfs/dbraw/zinc/98/18/46/710981846.db2.gz XZTVZLFEIIWGTB-GLQYFDAESA-N 1 0 235.346 3.911 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000383434354 348635320 /nfs/dbraw/zinc/63/53/20/348635320.db2.gz CNDJUJHKJVUIKP-KKUMJFAQSA-N 1 0 242.451 3.520 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000383434358 367621930 /nfs/dbraw/zinc/62/19/30/367621930.db2.gz CNDJUJHKJVUIKP-RRFJBIMHSA-N 1 0 242.451 3.520 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000383434362 367622247 /nfs/dbraw/zinc/62/22/47/367622247.db2.gz CNDJUJHKJVUIKP-SOUVJXGZSA-N 1 0 242.451 3.520 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000383434381 367621640 /nfs/dbraw/zinc/62/16/40/367621640.db2.gz CNDJUJHKJVUIKP-ZNMIVQPWSA-N 1 0 242.451 3.520 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450763 367623049 /nfs/dbraw/zinc/62/30/49/367623049.db2.gz CERPOZMLAAGIQP-DZGCQCFKSA-N 1 0 245.366 3.932 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450764 367623088 /nfs/dbraw/zinc/62/30/88/367623088.db2.gz CERPOZMLAAGIQP-HIFRSBDPSA-N 1 0 245.366 3.932 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450765 367623251 /nfs/dbraw/zinc/62/32/51/367623251.db2.gz CERPOZMLAAGIQP-UKRRQHHQSA-N 1 0 245.366 3.932 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450766 367623576 /nfs/dbraw/zinc/62/35/76/367623576.db2.gz CERPOZMLAAGIQP-ZFWWWQNUSA-N 1 0 245.366 3.932 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478145 367626068 /nfs/dbraw/zinc/62/60/68/367626068.db2.gz RGKFFGFHDGMIQQ-BXKDBHETSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478150 367625899 /nfs/dbraw/zinc/62/58/99/367625899.db2.gz RGKFFGFHDGMIQQ-CABZTGNLSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478154 367626262 /nfs/dbraw/zinc/62/62/62/367626262.db2.gz RGKFFGFHDGMIQQ-JOYOIKCWSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478156 367625855 /nfs/dbraw/zinc/62/58/55/367625855.db2.gz RGKFFGFHDGMIQQ-SKDRFNHKSA-N 1 0 239.309 3.804 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000383479084 711483240 /nfs/dbraw/zinc/48/32/40/711483240.db2.gz RQLNVFWZIPVWHI-HNNXBMFYSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000383479085 711483042 /nfs/dbraw/zinc/48/30/42/711483042.db2.gz RQLNVFWZIPVWHI-OAHLLOKOSA-N 1 0 229.367 3.842 20 0 BHADRO c1cc(C[NH+]2CCCCCC2)cc2c1CCC2 ZINC000383481280 367626029 /nfs/dbraw/zinc/62/60/29/367626029.db2.gz SHIDPBUYFIZNRV-UHFFFAOYSA-N 1 0 229.367 3.551 20 0 BHADRO COCC1(C[NH2+][C@@H](C)CCCC(C)C)CCC1 ZINC000383486654 367627831 /nfs/dbraw/zinc/62/78/31/367627831.db2.gz BRIJIEWVJVAFBH-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(C[NH2+][C@H](C)CCCC(C)C)CCC1 ZINC000383486655 367627749 /nfs/dbraw/zinc/62/77/49/367627749.db2.gz BRIJIEWVJVAFBH-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000383496032 487629796 /nfs/dbraw/zinc/62/97/96/487629796.db2.gz DDVWUEYZESIWJQ-ARLBYUKCSA-N 1 0 229.367 3.834 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000383517434 539011951 /nfs/dbraw/zinc/01/19/51/539011951.db2.gz MRAQVFZBFFTKPL-KBPBESRZSA-N 1 0 247.407 3.753 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000383517448 539011976 /nfs/dbraw/zinc/01/19/76/539011976.db2.gz MRAQVFZBFFTKPL-KGLIPLIRSA-N 1 0 247.407 3.753 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000383517462 539011894 /nfs/dbraw/zinc/01/18/94/539011894.db2.gz MRAQVFZBFFTKPL-UONOGXRCSA-N 1 0 247.407 3.753 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000383517465 539011885 /nfs/dbraw/zinc/01/18/85/539011885.db2.gz MRAQVFZBFFTKPL-ZIAGYGMSSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)OC ZINC000383568336 367641478 /nfs/dbraw/zinc/64/14/78/367641478.db2.gz BRAHUOKIRTVGPA-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)OC ZINC000383568338 367641174 /nfs/dbraw/zinc/64/11/74/367641174.db2.gz BRAHUOKIRTVGPA-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)OC ZINC000383568343 367640899 /nfs/dbraw/zinc/64/08/99/367640899.db2.gz BRAHUOKIRTVGPA-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)OC ZINC000383568344 367641169 /nfs/dbraw/zinc/64/11/69/367641169.db2.gz BRAHUOKIRTVGPA-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(CC[NH2+][C@@H](C)CCCC(C)C)CCC1 ZINC000383568701 349044476 /nfs/dbraw/zinc/04/44/76/349044476.db2.gz BSHMXSVDZODVNQ-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO COC1(CC[NH2+][C@H](C)CCCC(C)C)CCC1 ZINC000383568705 367640685 /nfs/dbraw/zinc/64/06/85/367640685.db2.gz BSHMXSVDZODVNQ-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000383569463 367640585 /nfs/dbraw/zinc/64/05/85/367640585.db2.gz JTZNTLUTEHHZIM-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000383569465 367641221 /nfs/dbraw/zinc/64/12/21/367641221.db2.gz JTZNTLUTEHHZIM-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000383569469 367640972 /nfs/dbraw/zinc/64/09/72/367640972.db2.gz JTZNTLUTEHHZIM-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000383569472 367640781 /nfs/dbraw/zinc/64/07/81/367640781.db2.gz JTZNTLUTEHHZIM-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C[NH2+]CCc2ccccc2F)CCCC1 ZINC000383580330 710982748 /nfs/dbraw/zinc/98/27/48/710982748.db2.gz FDHQKHGZQLMRCT-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000383663597 367647777 /nfs/dbraw/zinc/64/77/77/367647777.db2.gz MHAVIRPHNBFNBY-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000383663598 367647139 /nfs/dbraw/zinc/64/71/39/367647139.db2.gz MHAVIRPHNBFNBY-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000383663599 349276477 /nfs/dbraw/zinc/27/64/77/349276477.db2.gz MHAVIRPHNBFNBY-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000383663600 349276256 /nfs/dbraw/zinc/27/62/56/349276256.db2.gz MHAVIRPHNBFNBY-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+]C2CCC(C)(C)CC2)CCCC1 ZINC000383664536 367647288 /nfs/dbraw/zinc/64/72/88/367647288.db2.gz MQEHCLAUTYNDKM-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cc(F)ccc1F ZINC000383671174 398258576 /nfs/dbraw/zinc/25/85/76/398258576.db2.gz LVCDSEZOUICZAX-UHFFFAOYSA-N 1 0 241.325 3.879 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000383674350 710985579 /nfs/dbraw/zinc/98/55/79/710985579.db2.gz PAOOCMRPKZBFOR-AWEZNQCLSA-N 1 0 241.419 3.894 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000383674361 710985596 /nfs/dbraw/zinc/98/55/96/710985596.db2.gz PAOOCMRPKZBFOR-CQSZACIVSA-N 1 0 241.419 3.894 20 0 BHADRO C1=CC[C@@H](CNc2ccc3c(c2)CCCO3)CC1 ZINC000383677597 710985584 /nfs/dbraw/zinc/98/55/84/710985584.db2.gz YAJHRBJBYKZSMV-CYBMUJFWSA-N 1 0 243.350 3.780 20 0 BHADRO C1=CC[C@H](CNc2ccc3c(c2)CCCO3)CC1 ZINC000383677598 710985501 /nfs/dbraw/zinc/98/55/01/710985501.db2.gz YAJHRBJBYKZSMV-ZDUSSCGKSA-N 1 0 243.350 3.780 20 0 BHADRO CCCC[C@H](CCC)[NH2+]CCC1CCOCC1 ZINC000383696676 538470446 /nfs/dbraw/zinc/47/04/46/538470446.db2.gz UWKLMIAMMGGMJY-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]CCC1CCOCC1 ZINC000383696678 541514193 /nfs/dbraw/zinc/51/41/93/541514193.db2.gz UWKLMIAMMGGMJY-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO FCCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000383736976 367650132 /nfs/dbraw/zinc/65/01/32/367650132.db2.gz HTSGCCCPCDORHC-AWEZNQCLSA-N 1 0 239.309 3.616 20 0 BHADRO FCCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000383736984 367650237 /nfs/dbraw/zinc/65/02/37/367650237.db2.gz HTSGCCCPCDORHC-CQSZACIVSA-N 1 0 239.309 3.616 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000383767405 367653391 /nfs/dbraw/zinc/65/33/91/367653391.db2.gz GALWAEPVNWADOV-KBPBESRZSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000383767419 367652937 /nfs/dbraw/zinc/65/29/37/367652937.db2.gz GALWAEPVNWADOV-KGLIPLIRSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000383767441 367653333 /nfs/dbraw/zinc/65/33/33/367653333.db2.gz GALWAEPVNWADOV-UONOGXRCSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000383767442 367652835 /nfs/dbraw/zinc/65/28/35/367652835.db2.gz GALWAEPVNWADOV-ZIAGYGMSSA-N 1 0 233.355 3.646 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000383788094 367653508 /nfs/dbraw/zinc/65/35/08/367653508.db2.gz LCBGSIOMEMVHPY-BLLLJJGKSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000383788100 367653597 /nfs/dbraw/zinc/65/35/97/367653597.db2.gz LCBGSIOMEMVHPY-LRDDRELGSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000383788105 367652896 /nfs/dbraw/zinc/65/28/96/367652896.db2.gz LCBGSIOMEMVHPY-MLGOLLRUSA-N 1 0 225.335 3.728 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000383788110 367652932 /nfs/dbraw/zinc/65/29/32/367652932.db2.gz LCBGSIOMEMVHPY-WBMJQRKESA-N 1 0 225.335 3.728 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000383817140 541514805 /nfs/dbraw/zinc/51/48/05/541514805.db2.gz HBEYWMKVFMOLIO-CYBMUJFWSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000383817141 541514291 /nfs/dbraw/zinc/51/42/91/541514291.db2.gz HBEYWMKVFMOLIO-ZDUSSCGKSA-N 1 0 239.309 3.581 20 0 BHADRO CCOC1(C[NH2+][C@@H]2CCCC2(C)C)CCCC1 ZINC000383823419 367654702 /nfs/dbraw/zinc/65/47/02/367654702.db2.gz HTSYYMIGHVZLRC-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@H]2CCCC2(C)C)CCCC1 ZINC000383823423 367654496 /nfs/dbraw/zinc/65/44/96/367654496.db2.gz HTSYYMIGHVZLRC-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000383831450 367655867 /nfs/dbraw/zinc/65/58/67/367655867.db2.gz XVPWKKTYSCBDHP-AEGPPILISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000383831451 367655727 /nfs/dbraw/zinc/65/57/27/367655727.db2.gz XVPWKKTYSCBDHP-CFVMTHIKSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000383831452 367655821 /nfs/dbraw/zinc/65/58/21/367655821.db2.gz XVPWKKTYSCBDHP-NWANDNLSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000383831454 367655739 /nfs/dbraw/zinc/65/57/39/367655739.db2.gz XVPWKKTYSCBDHP-QEJZJMRPSA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000383848283 367655900 /nfs/dbraw/zinc/65/59/00/367655900.db2.gz LKWWCXDUNBFYJF-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000383848287 367655904 /nfs/dbraw/zinc/65/59/04/367655904.db2.gz LKWWCXDUNBFYJF-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000383848289 367655780 /nfs/dbraw/zinc/65/57/80/367655780.db2.gz LKWWCXDUNBFYJF-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000383848314 367655849 /nfs/dbraw/zinc/65/58/49/367655849.db2.gz LKWWCXDUNBFYJF-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCC(=O)C(C)(C)C ZINC000383851379 710965398 /nfs/dbraw/zinc/96/53/98/710965398.db2.gz QGMGVBPHZOJVPI-CYBMUJFWSA-N 1 0 247.382 3.685 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCC(=O)C(C)(C)C ZINC000383851380 710965514 /nfs/dbraw/zinc/96/55/14/710965514.db2.gz QGMGVBPHZOJVPI-ZDUSSCGKSA-N 1 0 247.382 3.685 20 0 BHADRO CCC1(C[NH2+]C2CCCCCC2)CCOCC1 ZINC000383895466 367658278 /nfs/dbraw/zinc/65/82/78/367658278.db2.gz MPHLAYQZBZVBLT-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCC(C)C)CCOCC1 ZINC000383901383 367658891 /nfs/dbraw/zinc/65/88/91/367658891.db2.gz NQOMVNGHWUIBRW-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCC(C)C)CCOCC1 ZINC000383901384 367658610 /nfs/dbraw/zinc/65/86/10/367658610.db2.gz NQOMVNGHWUIBRW-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccncc1 ZINC000383901480 367658376 /nfs/dbraw/zinc/65/83/76/367658376.db2.gz WPTWZASXPDEONV-GFCCVEGCSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccncc1 ZINC000383901490 367658910 /nfs/dbraw/zinc/65/89/10/367658910.db2.gz WPTWZASXPDEONV-LBPRGKRZSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)SCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000383918505 367659812 /nfs/dbraw/zinc/65/98/12/367659812.db2.gz ZGEASUBDTNUPIG-HNNXBMFYSA-N 1 0 249.423 3.869 20 0 BHADRO CC(C)SCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000383918511 367659659 /nfs/dbraw/zinc/65/96/59/367659659.db2.gz ZGEASUBDTNUPIG-OAHLLOKOSA-N 1 0 249.423 3.869 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000383927608 355791219 /nfs/dbraw/zinc/79/12/19/355791219.db2.gz BCOICJNUMOHNLG-CYBMUJFWSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)C1CCCCC1 ZINC000383927633 355791193 /nfs/dbraw/zinc/79/11/93/355791193.db2.gz BCOICJNUMOHNLG-ZDUSSCGKSA-N 1 0 235.371 3.894 20 0 BHADRO Oc1cccc(C[NH2+]CC2CCCCCCC2)c1 ZINC000383930413 710986518 /nfs/dbraw/zinc/98/65/18/710986518.db2.gz JJUYMMDJXCZMBZ-UHFFFAOYSA-N 1 0 247.382 3.842 20 0 BHADRO CCOC1(C[NH2+]C[C@@H](C)C(C)(C)C)CCCC1 ZINC000383956368 398053021 /nfs/dbraw/zinc/05/30/21/398053021.db2.gz HEBSLJZIHUXNHM-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOC1(C[NH2+]C[C@H](C)C(C)(C)C)CCCC1 ZINC000383956369 398053122 /nfs/dbraw/zinc/05/31/22/398053122.db2.gz HEBSLJZIHUXNHM-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000383963756 487684167 /nfs/dbraw/zinc/68/41/67/487684167.db2.gz HWLIDFVLQQQXMO-GFCCVEGCSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000383963757 487684352 /nfs/dbraw/zinc/68/43/52/487684352.db2.gz HWLIDFVLQQQXMO-LBPRGKRZSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000383971773 367665581 /nfs/dbraw/zinc/66/55/81/367665581.db2.gz ISCRRCOUDWOQNY-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000383971776 367665068 /nfs/dbraw/zinc/66/50/68/367665068.db2.gz ISCRRCOUDWOQNY-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1(OC)CCC1 ZINC000383971779 367665357 /nfs/dbraw/zinc/66/53/57/367665357.db2.gz ISCRRCOUDWOQNY-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000383971781 367664861 /nfs/dbraw/zinc/66/48/61/367664861.db2.gz ISCRRCOUDWOQNY-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000383980010 355847514 /nfs/dbraw/zinc/84/75/14/355847514.db2.gz RWGNCDCPDGDHBF-CYBMUJFWSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000383980012 355847345 /nfs/dbraw/zinc/84/73/45/355847345.db2.gz RWGNCDCPDGDHBF-ZDUSSCGKSA-N 1 0 247.382 3.698 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000383993558 539012166 /nfs/dbraw/zinc/01/21/66/539012166.db2.gz LYDQUBLFPLEZOA-AGIUHOORSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000383993560 539012593 /nfs/dbraw/zinc/01/25/93/539012593.db2.gz LYDQUBLFPLEZOA-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000383993567 539012307 /nfs/dbraw/zinc/01/23/07/539012307.db2.gz LYDQUBLFPLEZOA-UPJWGTAASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000383993569 635265597 /nfs/dbraw/zinc/26/55/97/635265597.db2.gz LYDQUBLFPLEZOA-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO CCOC1(C[NH2+][C@H](C)CC2CCC2)CCCC1 ZINC000384005871 398055651 /nfs/dbraw/zinc/05/56/51/398055651.db2.gz NPBAUYWLRQOWNK-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H](C)CC2CCC2)CCCC1 ZINC000384005873 398102704 /nfs/dbraw/zinc/10/27/04/398102704.db2.gz NPBAUYWLRQOWNK-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000384006513 367667776 /nfs/dbraw/zinc/66/77/76/367667776.db2.gz XFQNYXCKTYSRTG-INIZCTEOSA-N 1 0 247.382 3.697 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000384006518 367668003 /nfs/dbraw/zinc/66/80/03/367668003.db2.gz XFQNYXCKTYSRTG-MRXNPFEDSA-N 1 0 247.382 3.697 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000384015580 539012381 /nfs/dbraw/zinc/01/23/81/539012381.db2.gz PBGPAUMJPGPZQT-AAEUAGOBSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000384015584 539012143 /nfs/dbraw/zinc/01/21/43/539012143.db2.gz PBGPAUMJPGPZQT-DGCLKSJQSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000384015586 539012311 /nfs/dbraw/zinc/01/23/11/539012311.db2.gz PBGPAUMJPGPZQT-WCQYABFASA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000384015587 539012360 /nfs/dbraw/zinc/01/23/60/539012360.db2.gz PBGPAUMJPGPZQT-YPMHNXCESA-N 1 0 239.309 3.568 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000384019381 539012313 /nfs/dbraw/zinc/01/23/13/539012313.db2.gz PQDNIFCYRZKSJI-CYBMUJFWSA-N 1 0 239.309 3.526 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000384019389 539012309 /nfs/dbraw/zinc/01/23/09/539012309.db2.gz PQDNIFCYRZKSJI-ZDUSSCGKSA-N 1 0 239.309 3.526 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1C ZINC000384023933 367667930 /nfs/dbraw/zinc/66/79/30/367667930.db2.gz ABICHTGFOASINL-HNNXBMFYSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1C ZINC000384023939 367667770 /nfs/dbraw/zinc/66/77/70/367667770.db2.gz ABICHTGFOASINL-OAHLLOKOSA-N 1 0 249.423 3.536 20 0 BHADRO CC(C)OCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000384044411 367669583 /nfs/dbraw/zinc/66/95/83/367669583.db2.gz VRDONIOEIHLVHF-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000384044415 367669159 /nfs/dbraw/zinc/66/91/59/367669159.db2.gz VRDONIOEIHLVHF-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000384046615 367669119 /nfs/dbraw/zinc/66/91/19/367669119.db2.gz RDBGLGALPHSBHJ-AVVWSFFYSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000384046617 367670058 /nfs/dbraw/zinc/67/00/58/367670058.db2.gz RDBGLGALPHSBHJ-BCLQGDPASA-N 1 0 229.367 3.663 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000384048872 539012275 /nfs/dbraw/zinc/01/22/75/539012275.db2.gz RJFZNTVDVVNTKK-BPCQOVAHSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000384048879 539012120 /nfs/dbraw/zinc/01/21/20/539012120.db2.gz RJFZNTVDVVNTKK-WXRRBKDZSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000384072082 367670688 /nfs/dbraw/zinc/67/06/88/367670688.db2.gz OXKNMBGHGWXASV-AWEZNQCLSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000384072083 367671248 /nfs/dbraw/zinc/67/12/48/367671248.db2.gz OXKNMBGHGWXASV-CQSZACIVSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000384072430 367671155 /nfs/dbraw/zinc/67/11/55/367671155.db2.gz OZJPSPPPLMFWKX-AWEZNQCLSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCSC1 ZINC000384072431 367670837 /nfs/dbraw/zinc/67/08/37/367670837.db2.gz OZJPSPPPLMFWKX-CQSZACIVSA-N 1 0 249.423 3.536 20 0 BHADRO CC(C)SCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000384077898 367671294 /nfs/dbraw/zinc/67/12/94/367671294.db2.gz SGUSBXIDNKPHRK-DOMZBBRYSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000384077900 367670765 /nfs/dbraw/zinc/67/07/65/367670765.db2.gz SGUSBXIDNKPHRK-IUODEOHRSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000384077903 367671000 /nfs/dbraw/zinc/67/10/00/367671000.db2.gz SGUSBXIDNKPHRK-SWLSCSKDSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)SCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000384077905 367670657 /nfs/dbraw/zinc/67/06/57/367670657.db2.gz SGUSBXIDNKPHRK-WFASDCNBSA-N 1 0 249.423 3.966 20 0 BHADRO COC1(CC[NH2+]CC2CCCCCC2)CCC1 ZINC000384080004 350181052 /nfs/dbraw/zinc/18/10/52/350181052.db2.gz XGBAFDCRZPBMRD-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)C([NH2+][C@@H]1CCCc2occc21)C(C)C ZINC000384080893 539012606 /nfs/dbraw/zinc/01/26/06/539012606.db2.gz SWKDMKWLBGQDPB-CYBMUJFWSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C([NH2+][C@H]1CCCc2occc21)C(C)C ZINC000384080897 539012348 /nfs/dbraw/zinc/01/23/48/539012348.db2.gz SWKDMKWLBGQDPB-ZDUSSCGKSA-N 1 0 235.371 3.927 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCCSC2)c(C)c1 ZINC000384091234 367670647 /nfs/dbraw/zinc/67/06/47/367670647.db2.gz WFQZNBSSOHSCKF-AWEZNQCLSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2CCCSC2)c(C)c1 ZINC000384091235 367670951 /nfs/dbraw/zinc/67/09/51/367670951.db2.gz WFQZNBSSOHSCKF-CQSZACIVSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000384092703 367670706 /nfs/dbraw/zinc/67/07/06/367670706.db2.gz WRVLSLVDVZIEKJ-AWEZNQCLSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000384092706 367670698 /nfs/dbraw/zinc/67/06/98/367670698.db2.gz WRVLSLVDVZIEKJ-CQSZACIVSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H]2CCCSC2)c1C ZINC000384092707 367672308 /nfs/dbraw/zinc/67/23/08/367672308.db2.gz WSCDZHXOPROJMI-AWEZNQCLSA-N 1 0 249.423 3.536 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H]2CCCSC2)c1C ZINC000384092708 367672470 /nfs/dbraw/zinc/67/24/70/367672470.db2.gz WSCDZHXOPROJMI-CQSZACIVSA-N 1 0 249.423 3.536 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384098856 367672040 /nfs/dbraw/zinc/67/20/40/367672040.db2.gz YVUZSKKTYINZGN-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384098860 350194986 /nfs/dbraw/zinc/19/49/86/350194986.db2.gz YVUZSKKTYINZGN-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384098861 350194896 /nfs/dbraw/zinc/19/48/96/350194896.db2.gz YVUZSKKTYINZGN-XJFOESAGSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384098862 350195241 /nfs/dbraw/zinc/19/52/41/350195241.db2.gz YVUZSKKTYINZGN-ZOBORPQBSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000384103972 367671984 /nfs/dbraw/zinc/67/19/84/367671984.db2.gz BKQSGVKJOUFIDN-AWEZNQCLSA-N 1 0 229.367 3.868 20 0 BHADRO CC(C)([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000384103976 367672386 /nfs/dbraw/zinc/67/23/86/367672386.db2.gz BKQSGVKJOUFIDN-CQSZACIVSA-N 1 0 229.367 3.868 20 0 BHADRO CC(C)C([NH2+]CCc1ccccc1F)C(C)C ZINC000384109224 539012205 /nfs/dbraw/zinc/01/22/05/539012205.db2.gz XTBMGPOJHWGYDN-UHFFFAOYSA-N 1 0 237.362 3.638 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCc1ccco1)C1CC1 ZINC000384114710 367672341 /nfs/dbraw/zinc/67/23/41/367672341.db2.gz FKISHLVWDUWIJK-HNNXBMFYSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCc1ccco1)C1CC1 ZINC000384114715 367672399 /nfs/dbraw/zinc/67/23/99/367672399.db2.gz FKISHLVWDUWIJK-OAHLLOKOSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CCCC1 ZINC000384115836 367672412 /nfs/dbraw/zinc/67/24/12/367672412.db2.gz IGBYHSDJUBAKFR-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCSC1)C1CCCC1 ZINC000384115837 350209456 /nfs/dbraw/zinc/20/94/56/350209456.db2.gz IGBYHSDJUBAKFR-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCSC1)C1CCCC1 ZINC000384115838 350209238 /nfs/dbraw/zinc/20/92/38/350209238.db2.gz IGBYHSDJUBAKFR-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCSC1)C1CCCC1 ZINC000384115839 350209462 /nfs/dbraw/zinc/20/94/62/350209462.db2.gz IGBYHSDJUBAKFR-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC1CCOCC1 ZINC000384125581 367673202 /nfs/dbraw/zinc/67/32/02/367673202.db2.gz IDSZVLKSQQBXGJ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC1CCOCC1 ZINC000384125585 367673229 /nfs/dbraw/zinc/67/32/29/367673229.db2.gz IDSZVLKSQQBXGJ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000384131016 710989178 /nfs/dbraw/zinc/98/91/78/710989178.db2.gz JYFDEEVEIBOVAQ-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000384131433 710642108 /nfs/dbraw/zinc/64/21/08/710642108.db2.gz JYFDEEVEIBOVAQ-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C)CCOCC1 ZINC000384152298 367672558 /nfs/dbraw/zinc/67/25/58/367672558.db2.gz QIHOSEWQIXRISU-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C)CCOCC1 ZINC000384152299 367673346 /nfs/dbraw/zinc/67/33/46/367673346.db2.gz QIHOSEWQIXRISU-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000384157188 367673448 /nfs/dbraw/zinc/67/34/48/367673448.db2.gz RRSXIFWPEQBLOZ-KPFVRQRISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000384157193 367672850 /nfs/dbraw/zinc/67/28/50/367672850.db2.gz RRSXIFWPEQBLOZ-MVKMKZAISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000384157200 367673338 /nfs/dbraw/zinc/67/33/38/367673338.db2.gz RRSXIFWPEQBLOZ-POOIEITISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000384157205 367673275 /nfs/dbraw/zinc/67/32/75/367673275.db2.gz RRSXIFWPEQBLOZ-PYNQCMFNSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000384313683 367684630 /nfs/dbraw/zinc/68/46/30/367684630.db2.gz MZDWWJWQNHEXLP-ABAIWWIYSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000384313686 367684380 /nfs/dbraw/zinc/68/43/80/367684380.db2.gz MZDWWJWQNHEXLP-IAQYHMDHSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000384313688 367684239 /nfs/dbraw/zinc/68/42/39/367684239.db2.gz MZDWWJWQNHEXLP-NHYWBVRUSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000384313690 367683978 /nfs/dbraw/zinc/68/39/78/367683978.db2.gz MZDWWJWQNHEXLP-XHDPSFHLSA-N 1 0 247.382 3.629 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000384403733 367688972 /nfs/dbraw/zinc/68/89/72/367688972.db2.gz DAVPNRYLMDFPPK-HZSPNIEDSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000384403734 367688791 /nfs/dbraw/zinc/68/87/91/367688791.db2.gz DAVPNRYLMDFPPK-MCIONIFRSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000384403735 367689515 /nfs/dbraw/zinc/68/95/15/367689515.db2.gz DAVPNRYLMDFPPK-MGPQQGTHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000384403736 350317193 /nfs/dbraw/zinc/31/71/93/350317193.db2.gz DAVPNRYLMDFPPK-RDBSUJKOSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1cccc(C[NH2+]Cc2cccc(C)c2F)c1 ZINC000384407309 367690137 /nfs/dbraw/zinc/69/01/37/367690137.db2.gz DNQLSMDWVXBMER-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000384421342 710993151 /nfs/dbraw/zinc/99/31/51/710993151.db2.gz AFCFDBYJDVZPAY-ABAIWWIYSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000384421345 710992702 /nfs/dbraw/zinc/99/27/02/710992702.db2.gz AFCFDBYJDVZPAY-IAQYHMDHSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000384421348 710992432 /nfs/dbraw/zinc/99/24/32/710992432.db2.gz AFCFDBYJDVZPAY-NHYWBVRUSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000384421349 710993207 /nfs/dbraw/zinc/99/32/07/710993207.db2.gz AFCFDBYJDVZPAY-XHDPSFHLSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1COCc2ccccc21 ZINC000384470392 367692264 /nfs/dbraw/zinc/69/22/64/367692264.db2.gz RFWMDXSNOFSFBR-DOMZBBRYSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1COCc2ccccc21 ZINC000384470393 367692231 /nfs/dbraw/zinc/69/22/31/367692231.db2.gz RFWMDXSNOFSFBR-IUODEOHRSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1COCc2ccccc21 ZINC000384470394 367692612 /nfs/dbraw/zinc/69/26/12/367692612.db2.gz RFWMDXSNOFSFBR-SWLSCSKDSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1COCc2ccccc21 ZINC000384470395 367692626 /nfs/dbraw/zinc/69/26/26/367692626.db2.gz RFWMDXSNOFSFBR-WFASDCNBSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384474560 367693060 /nfs/dbraw/zinc/69/30/60/367693060.db2.gz UQOJCSXRHCCJCA-BYCMXARLSA-N 1 0 246.398 3.546 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384474561 367692290 /nfs/dbraw/zinc/69/22/90/367692290.db2.gz UQOJCSXRHCCJCA-DFBGVHRSSA-N 1 0 246.398 3.546 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384474562 367692944 /nfs/dbraw/zinc/69/29/44/367692944.db2.gz UQOJCSXRHCCJCA-KCPJHIHWSA-N 1 0 246.398 3.546 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384474563 367692715 /nfs/dbraw/zinc/69/27/15/367692715.db2.gz UQOJCSXRHCCJCA-UGFHNGPFSA-N 1 0 246.398 3.546 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)CC(C)(C)C ZINC000384483007 367692959 /nfs/dbraw/zinc/69/29/59/367692959.db2.gz ZPMNRCVFJFPKOP-CHWSQXEVSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000384483009 367693029 /nfs/dbraw/zinc/69/30/29/367693029.db2.gz ZPMNRCVFJFPKOP-OLZOCXBDSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000384483010 367692646 /nfs/dbraw/zinc/69/26/46/367692646.db2.gz ZPMNRCVFJFPKOP-QWHCGFSZSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000384483011 367692574 /nfs/dbraw/zinc/69/25/74/367692574.db2.gz ZPMNRCVFJFPKOP-STQMWFEESA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000384483224 367692420 /nfs/dbraw/zinc/69/24/20/367692420.db2.gz ZTHCTAMQKTUNKZ-BXUZGUMPSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2O ZINC000384483225 367692551 /nfs/dbraw/zinc/69/25/51/367692551.db2.gz ZTHCTAMQKTUNKZ-FZMZJTMJSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2O ZINC000384483226 367692675 /nfs/dbraw/zinc/69/26/75/367692675.db2.gz ZTHCTAMQKTUNKZ-RISCZKNCSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000384483227 367693054 /nfs/dbraw/zinc/69/30/54/367693054.db2.gz ZTHCTAMQKTUNKZ-SMDDNHRTSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000384495324 367693704 /nfs/dbraw/zinc/69/37/04/367693704.db2.gz ALAYHCJESAPNRW-FVCCEPFGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000384495326 367694276 /nfs/dbraw/zinc/69/42/76/367694276.db2.gz ALAYHCJESAPNRW-NDBYEHHHSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000384495327 367693905 /nfs/dbraw/zinc/69/39/05/367693905.db2.gz ALAYHCJESAPNRW-QNWHQSFQSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000384495328 367693742 /nfs/dbraw/zinc/69/37/42/367693742.db2.gz ALAYHCJESAPNRW-RNJOBUHISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000384495330 367693916 /nfs/dbraw/zinc/69/39/16/367693916.db2.gz ALAYHCJESAPNRW-YVECIDJPSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1csc(C[NH2+]Cc2cccc(C)c2F)c1 ZINC000384496083 367694157 /nfs/dbraw/zinc/69/41/57/367694157.db2.gz NPHAKEDZLICULX-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)CC(C)(C)C)cs1 ZINC000384522722 367696551 /nfs/dbraw/zinc/69/65/51/367696551.db2.gz BHFWTOGUEIOPFN-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)CC(C)(C)C)cs1 ZINC000384522723 367696517 /nfs/dbraw/zinc/69/65/17/367696517.db2.gz BHFWTOGUEIOPFN-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCSC1 ZINC000384524340 367697340 /nfs/dbraw/zinc/69/73/40/367697340.db2.gz KWBNMCYFVLTBEC-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCSC1 ZINC000384524341 367697789 /nfs/dbraw/zinc/69/77/89/367697789.db2.gz KWBNMCYFVLTBEC-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCSC1 ZINC000384524343 367697646 /nfs/dbraw/zinc/69/76/46/367697646.db2.gz KWBNMCYFVLTBEC-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCSC1 ZINC000384524345 367697987 /nfs/dbraw/zinc/69/79/87/367697987.db2.gz KWBNMCYFVLTBEC-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ncc(Cl)s1 ZINC000384531905 367697813 /nfs/dbraw/zinc/69/78/13/367697813.db2.gz MLTWNUQNRLBQNU-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ncc(Cl)s1 ZINC000384531907 367697477 /nfs/dbraw/zinc/69/74/77/367697477.db2.gz MLTWNUQNRLBQNU-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO CC1([NH2+]Cc2cnc3ccccc3c2)CCCC1 ZINC000384533292 710916070 /nfs/dbraw/zinc/91/60/70/710916070.db2.gz WCXFNSUIRUEPJO-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1F ZINC000384534245 367698112 /nfs/dbraw/zinc/69/81/12/367698112.db2.gz MTYKBPRTLZJZAZ-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1F ZINC000384534247 367697947 /nfs/dbraw/zinc/69/79/47/367697947.db2.gz MTYKBPRTLZJZAZ-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000384535287 367697136 /nfs/dbraw/zinc/69/71/36/367697136.db2.gz DEXAQNYRKDMECV-HLPPOEQASA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000384535289 367697199 /nfs/dbraw/zinc/69/71/99/367697199.db2.gz DEXAQNYRKDMECV-ORIJERBGSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000384535291 367697690 /nfs/dbraw/zinc/69/76/90/367697690.db2.gz DEXAQNYRKDMECV-RZLSGREXSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000384535292 367697856 /nfs/dbraw/zinc/69/78/56/367697856.db2.gz DEXAQNYRKDMECV-TTZDDIAXSA-N 1 0 247.382 3.520 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)c1nccs1 ZINC000384538538 350372953 /nfs/dbraw/zinc/37/29/53/350372953.db2.gz DPICFTCAVFMXTI-GHMZBOCLSA-N 1 0 240.416 3.661 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)c1nccs1 ZINC000384538540 367698633 /nfs/dbraw/zinc/69/86/33/367698633.db2.gz DPICFTCAVFMXTI-MNOVXSKESA-N 1 0 240.416 3.661 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)c1nccs1 ZINC000384538541 367698753 /nfs/dbraw/zinc/69/87/53/367698753.db2.gz DPICFTCAVFMXTI-QWRGUYRKSA-N 1 0 240.416 3.661 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)c1nccs1 ZINC000384538543 367699058 /nfs/dbraw/zinc/69/90/58/367699058.db2.gz DPICFTCAVFMXTI-WDEREUQCSA-N 1 0 240.416 3.661 20 0 BHADRO Cc1cccc(C[NH2+]CCc2cccs2)c1F ZINC000384541971 367699167 /nfs/dbraw/zinc/69/91/67/367699167.db2.gz OKFLIIBGKPFPIC-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(F)(F)F)c1F ZINC000384548689 367698439 /nfs/dbraw/zinc/69/84/39/367698439.db2.gz PROWYMVBMOQPOV-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO CCc1cnc(C[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000384551305 367699097 /nfs/dbraw/zinc/69/90/97/367699097.db2.gz GFYBWOMLQLVRDX-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1cnc(C[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000384551306 367698513 /nfs/dbraw/zinc/69/85/13/367698513.db2.gz GFYBWOMLQLVRDX-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cscn1 ZINC000384558240 367700285 /nfs/dbraw/zinc/70/02/85/367700285.db2.gz RMLZTGMTXCFZRN-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cscn1 ZINC000384558252 367700296 /nfs/dbraw/zinc/70/02/96/367700296.db2.gz RMLZTGMTXCFZRN-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cscn1 ZINC000384558253 367699941 /nfs/dbraw/zinc/69/99/41/367699941.db2.gz RMLZTGMTXCFZRN-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cscn1 ZINC000384558254 367699995 /nfs/dbraw/zinc/69/99/95/367699995.db2.gz RMLZTGMTXCFZRN-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO Cc1cccc(C[NH2+]CCc2ccsc2)c1F ZINC000384572649 367702127 /nfs/dbraw/zinc/70/21/27/367702127.db2.gz VGUBSXFHDVUAIW-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000384579176 367702338 /nfs/dbraw/zinc/70/23/38/367702338.db2.gz KIAWVNCOWPJNED-SECBINFHSA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000384579186 367701764 /nfs/dbraw/zinc/70/17/64/367701764.db2.gz KIAWVNCOWPJNED-VIFPVBQESA-N 1 0 240.416 3.674 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)n1 ZINC000384583886 367702951 /nfs/dbraw/zinc/70/29/51/367702951.db2.gz LDIGVOYJHKISNA-GXSJLCMTSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)n1 ZINC000384583887 367702574 /nfs/dbraw/zinc/70/25/74/367702574.db2.gz LDIGVOYJHKISNA-KOLCDFICSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)n1 ZINC000384583888 367702653 /nfs/dbraw/zinc/70/26/53/367702653.db2.gz LDIGVOYJHKISNA-MWLCHTKSSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)n1 ZINC000384583889 367703480 /nfs/dbraw/zinc/70/34/80/367703480.db2.gz LDIGVOYJHKISNA-ONGXEEELSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)cs1 ZINC000384593093 367705581 /nfs/dbraw/zinc/70/55/81/367705581.db2.gz ZWZHONMULKUUBQ-NXEZZACHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)cs1 ZINC000384593094 367706567 /nfs/dbraw/zinc/70/65/67/367706567.db2.gz ZWZHONMULKUUBQ-UWVGGRQHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)cs1 ZINC000384593095 367705931 /nfs/dbraw/zinc/70/59/31/367705931.db2.gz ZWZHONMULKUUBQ-VHSXEESVSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)cs1 ZINC000384593096 367705836 /nfs/dbraw/zinc/70/58/36/367705836.db2.gz ZWZHONMULKUUBQ-ZJUUUORDSA-N 1 0 240.416 3.927 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000384608053 367707099 /nfs/dbraw/zinc/70/70/99/367707099.db2.gz GVLVIXICCOMLKV-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000384608060 367706941 /nfs/dbraw/zinc/70/69/41/367706941.db2.gz GVLVIXICCOMLKV-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000384608062 367707120 /nfs/dbraw/zinc/70/71/20/367707120.db2.gz GVLVIXICCOMLKV-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000384608064 367707035 /nfs/dbraw/zinc/70/70/35/367707035.db2.gz GVLVIXICCOMLKV-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C)CC(C)(C)C ZINC000384614519 367708704 /nfs/dbraw/zinc/70/87/04/367708704.db2.gz PHDOXGYTCZHAOX-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000384614520 367708764 /nfs/dbraw/zinc/70/87/64/367708764.db2.gz PHDOXGYTCZHAOX-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000384633644 367710109 /nfs/dbraw/zinc/71/01/09/367710109.db2.gz RPDHJNAOIZLNPI-GXSJLCMTSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000384633646 367710582 /nfs/dbraw/zinc/71/05/82/367710582.db2.gz RPDHJNAOIZLNPI-KOLCDFICSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000384633647 367710689 /nfs/dbraw/zinc/71/06/89/367710689.db2.gz RPDHJNAOIZLNPI-MWLCHTKSSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000384633648 367710394 /nfs/dbraw/zinc/71/03/94/367710394.db2.gz RPDHJNAOIZLNPI-ONGXEEELSA-N 1 0 240.416 3.927 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccncc1Cl ZINC000384645398 367711672 /nfs/dbraw/zinc/71/16/72/367711672.db2.gz MDUCFYACTPDESN-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccncc1Cl ZINC000384645402 367712234 /nfs/dbraw/zinc/71/22/34/367712234.db2.gz MDUCFYACTPDESN-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC1(F)F ZINC000384646226 367711982 /nfs/dbraw/zinc/71/19/82/367711982.db2.gz MHLKRLHTZMWOGS-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000384646227 367711933 /nfs/dbraw/zinc/71/19/33/367711933.db2.gz MHLKRLHTZMWOGS-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000384646228 367711532 /nfs/dbraw/zinc/71/15/32/367711532.db2.gz MHLKRLHTZMWOGS-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC1(F)F ZINC000384646229 367711887 /nfs/dbraw/zinc/71/18/87/367711887.db2.gz MHLKRLHTZMWOGS-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1nc(C[NH2+][C@H](C)CC(C)(C)C)sc1C ZINC000384646831 367712033 /nfs/dbraw/zinc/71/20/33/367712033.db2.gz MJVLHWRLWXTLMF-SECBINFHSA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(C[NH2+][C@@H](C)CC(C)(C)C)sc1C ZINC000384646844 367711487 /nfs/dbraw/zinc/71/14/87/367711487.db2.gz MJVLHWRLWXTLMF-VIFPVBQESA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(-c2ccc(C[NH2+]C(C)C)cc2)cs1 ZINC000384698949 367717497 /nfs/dbraw/zinc/71/74/97/367717497.db2.gz JXUDGWZGOIEBTE-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc(C)oc1C ZINC000384699972 367717326 /nfs/dbraw/zinc/71/73/26/367717326.db2.gz AJTBADFEZGHBSV-JMEBYUIHSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000384699973 350476364 /nfs/dbraw/zinc/47/63/64/350476364.db2.gz AJTBADFEZGHBSV-MLRMMBSGSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc(C)oc1C ZINC000384699974 350476930 /nfs/dbraw/zinc/47/69/30/350476930.db2.gz AJTBADFEZGHBSV-XUIVZRPNSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000384699975 350476381 /nfs/dbraw/zinc/47/63/81/350476381.db2.gz AJTBADFEZGHBSV-ZADCQDASSA-N 1 0 207.317 3.513 20 0 BHADRO C/C=C\C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000384703342 350483542 /nfs/dbraw/zinc/48/35/42/350483542.db2.gz BMLMOONBHBLVAN-IHWYPQMZSA-N 1 0 235.758 3.752 20 0 BHADRO C/C=C/C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000384703367 398123967 /nfs/dbraw/zinc/12/39/67/398123967.db2.gz BMLMOONBHBLVAN-NSCUHMNNSA-N 1 0 235.758 3.752 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(C)c1 ZINC000384706952 367717929 /nfs/dbraw/zinc/71/79/29/367717929.db2.gz CLIOMUIXTYQSFU-DZGCQCFKSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1cccc(C)c1 ZINC000384706953 367717951 /nfs/dbraw/zinc/71/79/51/367717951.db2.gz CLIOMUIXTYQSFU-HIFRSBDPSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1cccc(C)c1 ZINC000384706954 367718166 /nfs/dbraw/zinc/71/81/66/367718166.db2.gz CLIOMUIXTYQSFU-UKRRQHHQSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(C)c1 ZINC000384706955 367717843 /nfs/dbraw/zinc/71/78/43/367717843.db2.gz CLIOMUIXTYQSFU-ZFWWWQNUSA-N 1 0 249.398 3.585 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000384709140 367719063 /nfs/dbraw/zinc/71/90/63/367719063.db2.gz CXXFTKKWUVBBPM-GZTOBOFZSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc(C)s1 ZINC000384709145 367719249 /nfs/dbraw/zinc/71/92/49/367719249.db2.gz CXXFTKKWUVBBPM-ISALQUGTSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc(C)s1 ZINC000384709146 367719311 /nfs/dbraw/zinc/71/93/11/367719311.db2.gz CXXFTKKWUVBBPM-MVIFTORASA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000384709147 367719542 /nfs/dbraw/zinc/71/95/42/367719542.db2.gz CXXFTKKWUVBBPM-QRGHLMKCSA-N 1 0 209.358 3.673 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1nccs1 ZINC000384709838 367719496 /nfs/dbraw/zinc/71/94/96/367719496.db2.gz GFSLIZSZPFRWKE-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1nccs1 ZINC000384709839 367719116 /nfs/dbraw/zinc/71/91/16/367719116.db2.gz GFSLIZSZPFRWKE-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1nccs1 ZINC000384709840 367718795 /nfs/dbraw/zinc/71/87/95/367718795.db2.gz GFSLIZSZPFRWKE-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1nccs1 ZINC000384709841 367719006 /nfs/dbraw/zinc/71/90/06/367719006.db2.gz GFSLIZSZPFRWKE-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000384712789 541515585 /nfs/dbraw/zinc/51/55/85/541515585.db2.gz DYPTVHMGBNZOHR-CFHLNLSMSA-N 1 0 233.355 3.701 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000384712799 541515480 /nfs/dbraw/zinc/51/54/80/541515480.db2.gz DYPTVHMGBNZOHR-GFUIURDCSA-N 1 0 233.355 3.701 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000384712802 541515651 /nfs/dbraw/zinc/51/56/51/541515651.db2.gz DYPTVHMGBNZOHR-SZZPACECSA-N 1 0 233.355 3.701 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000384712803 541515420 /nfs/dbraw/zinc/51/54/20/541515420.db2.gz DYPTVHMGBNZOHR-URWSZGRFSA-N 1 0 233.355 3.701 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCCC(F)(F)F ZINC000384713899 367719127 /nfs/dbraw/zinc/71/91/27/367719127.db2.gz GXXUDPXICCUSRZ-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCCC(F)(F)F ZINC000384713900 367718995 /nfs/dbraw/zinc/71/89/95/367718995.db2.gz GXXUDPXICCUSRZ-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1sccc1C ZINC000384726044 367722694 /nfs/dbraw/zinc/72/26/94/367722694.db2.gz IHSHEHAKBAWXIG-GZTOBOFZSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1sccc1C ZINC000384726055 367722230 /nfs/dbraw/zinc/72/22/30/367722230.db2.gz IHSHEHAKBAWXIG-ISALQUGTSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1sccc1C ZINC000384726067 367722423 /nfs/dbraw/zinc/72/24/23/367722423.db2.gz IHSHEHAKBAWXIG-MVIFTORASA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1sccc1C ZINC000384726080 367721643 /nfs/dbraw/zinc/72/16/43/367721643.db2.gz IHSHEHAKBAWXIG-QRGHLMKCSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC)c1cccs1 ZINC000384730446 367722557 /nfs/dbraw/zinc/72/25/57/367722557.db2.gz JLQVSXNJQTVMST-GZTOBOFZSA-N 1 0 209.358 3.755 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000384734643 541515459 /nfs/dbraw/zinc/51/54/59/541515459.db2.gz BVRZCFPZRMSBEK-FSIBCCDJSA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000384734644 541515638 /nfs/dbraw/zinc/51/56/38/541515638.db2.gz BVRZCFPZRMSBEK-HMDXOVGESA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000384734645 541515470 /nfs/dbraw/zinc/51/54/70/541515470.db2.gz BVRZCFPZRMSBEK-UMBAGQNISA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000384734647 541515608 /nfs/dbraw/zinc/51/56/08/541515608.db2.gz BVRZCFPZRMSBEK-XOULXFPDSA-N 1 0 241.281 3.515 20 0 BHADRO CC/C=C/C[NH2+][C@H](CC)c1ccsc1 ZINC000384738931 367725426 /nfs/dbraw/zinc/72/54/26/367725426.db2.gz LKMPCFABVXSPFW-BTDICHCPSA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC)c1ccsc1 ZINC000384738932 367724679 /nfs/dbraw/zinc/72/46/79/367724679.db2.gz LKMPCFABVXSPFW-FJOGCWAESA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C\C[NH2+][C@H](CC)c1ccsc1 ZINC000384738935 367725275 /nfs/dbraw/zinc/72/52/75/367725275.db2.gz LKMPCFABVXSPFW-FOQNGQEVSA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C/C[NH2+][C@@H](CC)c1ccsc1 ZINC000384738939 367725635 /nfs/dbraw/zinc/72/56/35/367725635.db2.gz LKMPCFABVXSPFW-FYJFLYSWSA-N 1 0 209.358 3.755 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC1CCSCC1 ZINC000384746677 367724827 /nfs/dbraw/zinc/72/48/27/367724827.db2.gz MDXHDVBVDLWYCZ-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC1CCSCC1 ZINC000384746678 367725677 /nfs/dbraw/zinc/72/56/77/367725677.db2.gz MDXHDVBVDLWYCZ-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO C/C=C\C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000384753396 344103942 /nfs/dbraw/zinc/10/39/42/344103942.db2.gz OTMZFUHTDLWCNC-AKGUPNBXSA-N 1 0 239.409 3.839 20 0 BHADRO C/C=C/C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000384753398 344103956 /nfs/dbraw/zinc/10/39/56/344103956.db2.gz OTMZFUHTDLWCNC-NCDNIOQDSA-N 1 0 239.409 3.839 20 0 BHADRO C/C=C\C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000384753399 344103924 /nfs/dbraw/zinc/10/39/24/344103924.db2.gz OTMZFUHTDLWCNC-QLCCLCOCSA-N 1 0 239.409 3.839 20 0 BHADRO C/C=C/C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000384753400 344103833 /nfs/dbraw/zinc/10/38/33/344103833.db2.gz OTMZFUHTDLWCNC-UEVFTQGLSA-N 1 0 239.409 3.839 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000384760886 541515768 /nfs/dbraw/zinc/51/57/68/541515768.db2.gz AMPSFMVPKFAKDF-DOGVGXBMSA-N 1 0 245.322 3.668 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000384760887 541515898 /nfs/dbraw/zinc/51/58/98/541515898.db2.gz AMPSFMVPKFAKDF-SGUJLRQBSA-N 1 0 245.322 3.668 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000384760888 541515513 /nfs/dbraw/zinc/51/55/13/541515513.db2.gz AMPSFMVPKFAKDF-WYGGZMRJSA-N 1 0 245.322 3.668 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000384760890 541515708 /nfs/dbraw/zinc/51/57/08/541515708.db2.gz AMPSFMVPKFAKDF-ZWNMCFTASA-N 1 0 245.322 3.668 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384763837 710995822 /nfs/dbraw/zinc/99/58/22/710995822.db2.gz OJXJPMNMDWZWTJ-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384763838 710996259 /nfs/dbraw/zinc/99/62/59/710996259.db2.gz OJXJPMNMDWZWTJ-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384763840 710996078 /nfs/dbraw/zinc/99/60/78/710996078.db2.gz OJXJPMNMDWZWTJ-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384763841 710996586 /nfs/dbraw/zinc/99/65/86/710996586.db2.gz OJXJPMNMDWZWTJ-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000384763878 710996931 /nfs/dbraw/zinc/99/69/31/710996931.db2.gz OKGIVRHNFTZZBY-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000384763881 710995826 /nfs/dbraw/zinc/99/58/26/710995826.db2.gz OKGIVRHNFTZZBY-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000384763883 710995504 /nfs/dbraw/zinc/99/55/04/710995504.db2.gz OKGIVRHNFTZZBY-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000384763885 710956117 /nfs/dbraw/zinc/95/61/17/710956117.db2.gz OKGIVRHNFTZZBY-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000384802388 344162946 /nfs/dbraw/zinc/16/29/46/344162946.db2.gz YJVGBMUARMGQGS-FSIBCCDJSA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000384802389 344162803 /nfs/dbraw/zinc/16/28/03/344162803.db2.gz YJVGBMUARMGQGS-HMDXOVGESA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000384802390 344162740 /nfs/dbraw/zinc/16/27/40/344162740.db2.gz YJVGBMUARMGQGS-UMBAGQNISA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000384802391 344162666 /nfs/dbraw/zinc/16/26/66/344162666.db2.gz YJVGBMUARMGQGS-XOULXFPDSA-N 1 0 232.352 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1C ZINC000384802854 367734531 /nfs/dbraw/zinc/73/45/31/367734531.db2.gz YOXLORYLVWBJMS-KBPBESRZSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1C ZINC000384802855 367733625 /nfs/dbraw/zinc/73/36/25/367733625.db2.gz YOXLORYLVWBJMS-KGLIPLIRSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1C ZINC000384802856 367734213 /nfs/dbraw/zinc/73/42/13/367734213.db2.gz YOXLORYLVWBJMS-UONOGXRCSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1C ZINC000384802857 367734647 /nfs/dbraw/zinc/73/46/47/367734647.db2.gz YOXLORYLVWBJMS-ZIAGYGMSSA-N 1 0 249.398 3.504 20 0 BHADRO CSC1(C[NH2+][C@H](C)CC(C)(C)C)CCC1 ZINC000384804522 367736029 /nfs/dbraw/zinc/73/60/29/367736029.db2.gz UDUUJBACMBUCHJ-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CC(C)(C)C)CCC1 ZINC000384804737 367735600 /nfs/dbraw/zinc/73/56/00/367735600.db2.gz UDUUJBACMBUCHJ-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)CC(F)(F)F ZINC000384811541 367736118 /nfs/dbraw/zinc/73/61/18/367736118.db2.gz VAMZDQRAGIEMGP-BDAKNGLRSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(C)(C)C ZINC000384811542 367735328 /nfs/dbraw/zinc/73/53/28/367735328.db2.gz VAMZDQRAGIEMGP-DTWKUNHWSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)CC(F)(F)F ZINC000384811544 367735149 /nfs/dbraw/zinc/73/51/49/367735149.db2.gz VAMZDQRAGIEMGP-IUCAKERBSA-N 1 0 225.298 3.742 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)CC(F)(F)F ZINC000384811546 367735567 /nfs/dbraw/zinc/73/55/67/367735567.db2.gz VAMZDQRAGIEMGP-RKDXNWHRSA-N 1 0 225.298 3.742 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000384817355 541515350 /nfs/dbraw/zinc/51/53/50/541515350.db2.gz DLDOTMYITPZYFR-FSIBCCDJSA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000384817357 541515658 /nfs/dbraw/zinc/51/56/58/541515658.db2.gz DLDOTMYITPZYFR-HMDXOVGESA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000384817358 541515596 /nfs/dbraw/zinc/51/55/96/541515596.db2.gz DLDOTMYITPZYFR-UMBAGQNISA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000384817359 541515285 /nfs/dbraw/zinc/51/52/85/541515285.db2.gz DLDOTMYITPZYFR-XOULXFPDSA-N 1 0 241.281 3.515 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384818408 712700246 /nfs/dbraw/zinc/70/02/46/712700246.db2.gz VZIVDAARNDYROS-NXEZZACHSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384818411 712700243 /nfs/dbraw/zinc/70/02/43/712700243.db2.gz VZIVDAARNDYROS-UWVGGRQHSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384818616 710996520 /nfs/dbraw/zinc/99/65/20/710996520.db2.gz VZIVDAARNDYROS-VHSXEESVSA-N 1 0 238.375 3.767 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384818617 710997232 /nfs/dbraw/zinc/99/72/32/710997232.db2.gz VZIVDAARNDYROS-ZJUUUORDSA-N 1 0 238.375 3.767 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCc1ccsc1 ZINC000384828561 367739229 /nfs/dbraw/zinc/73/92/29/367739229.db2.gz XNILJPKFKCSUFN-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCc1ccsc1 ZINC000384828562 367738520 /nfs/dbraw/zinc/73/85/20/367738520.db2.gz XNILJPKFKCSUFN-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000384832257 541515617 /nfs/dbraw/zinc/51/56/17/541515617.db2.gz HAIHBZYZAITXHU-FSIBCCDJSA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000384832258 541515788 /nfs/dbraw/zinc/51/57/88/541515788.db2.gz HAIHBZYZAITXHU-HMDXOVGESA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000384832268 541515725 /nfs/dbraw/zinc/51/57/25/541515725.db2.gz HAIHBZYZAITXHU-UMBAGQNISA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000384832269 541515429 /nfs/dbraw/zinc/51/54/29/541515429.db2.gz HAIHBZYZAITXHU-XOULXFPDSA-N 1 0 241.281 3.515 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000384832856 541515333 /nfs/dbraw/zinc/51/53/33/541515333.db2.gz HEIOAOXSFJJODA-ITKZLYELSA-N 1 0 229.323 3.968 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000384832862 541515467 /nfs/dbraw/zinc/51/54/67/541515467.db2.gz HEIOAOXSFJJODA-QMAVJUDZSA-N 1 0 229.323 3.968 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000384833114 541515342 /nfs/dbraw/zinc/51/53/42/541515342.db2.gz HEIOAOXSFJJODA-RXNFCKPNSA-N 1 0 229.323 3.968 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000384833116 541515689 /nfs/dbraw/zinc/51/56/89/541515689.db2.gz HEIOAOXSFJJODA-ZYOFXKKJSA-N 1 0 229.323 3.968 20 0 BHADRO CSCCCCC[NH2+][C@H](C)CC(C)(C)C ZINC000384835282 367740552 /nfs/dbraw/zinc/74/05/52/367740552.db2.gz YPPYVFHRIBOJCH-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000384835283 367739686 /nfs/dbraw/zinc/73/96/86/367739686.db2.gz YPPYVFHRIBOJCH-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000384836046 344169652 /nfs/dbraw/zinc/16/96/52/344169652.db2.gz HUWWVQMMSURNQZ-IHWYPQMZSA-N 1 0 247.235 3.510 20 0 BHADRO C/C=C/C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000384836047 344169502 /nfs/dbraw/zinc/16/95/02/344169502.db2.gz HUWWVQMMSURNQZ-NSCUHMNNSA-N 1 0 247.235 3.510 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCc1cccs1 ZINC000384838002 367740173 /nfs/dbraw/zinc/74/01/73/367740173.db2.gz ZDEQZDKPHXNMJD-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCc1cccs1 ZINC000384838014 367740267 /nfs/dbraw/zinc/74/02/67/367740267.db2.gz ZDEQZDKPHXNMJD-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CC(C)(C)C ZINC000384843451 367741481 /nfs/dbraw/zinc/74/14/81/367741481.db2.gz AEUPBERROTYTGD-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CC(C)(C)C ZINC000384843459 367741982 /nfs/dbraw/zinc/74/19/82/367741982.db2.gz AEUPBERROTYTGD-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000384847161 541515813 /nfs/dbraw/zinc/51/58/13/541515813.db2.gz KEMGCTIPKHHAHV-INQOVCNISA-N 1 0 229.367 3.879 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000384847162 541515732 /nfs/dbraw/zinc/51/57/32/541515732.db2.gz KEMGCTIPKHHAHV-REUDQUMMSA-N 1 0 229.367 3.879 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000384847163 541515276 /nfs/dbraw/zinc/51/52/76/541515276.db2.gz KEMGCTIPKHHAHV-TWTBHFKPSA-N 1 0 229.367 3.879 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000384847164 541515548 /nfs/dbraw/zinc/51/55/48/541515548.db2.gz KEMGCTIPKHHAHV-UVCACSLRSA-N 1 0 229.367 3.879 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(C)cc1 ZINC000384854091 367744303 /nfs/dbraw/zinc/74/43/03/367744303.db2.gz CESDRHTYSOMKET-BFJAYTPKSA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccc(C)cc1 ZINC000384854092 367745102 /nfs/dbraw/zinc/74/51/02/367745102.db2.gz CESDRHTYSOMKET-DARAHFNDSA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(C)cc1 ZINC000384854093 367744946 /nfs/dbraw/zinc/74/49/46/367744946.db2.gz CESDRHTYSOMKET-LQKXBSAESA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C)cc1 ZINC000384854094 367744196 /nfs/dbraw/zinc/74/41/96/367744196.db2.gz CESDRHTYSOMKET-LUYZLQTOSA-N 1 0 247.382 3.602 20 0 BHADRO CC/C=C\C[NH2+]C1CC(c2ccccc2F)C1 ZINC000384862074 367746632 /nfs/dbraw/zinc/74/66/32/367746632.db2.gz DPCDWBDJMYBGEF-UTCJRWHESA-N 1 0 233.330 3.628 20 0 BHADRO CC/C=C/C[NH2+]C1CC(c2ccccc2F)C1 ZINC000384862078 350603260 /nfs/dbraw/zinc/60/32/60/350603260.db2.gz DPCDWBDJMYBGEF-ZZXKWVIFSA-N 1 0 233.330 3.628 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)CC(C)(C)C ZINC000384864973 367745750 /nfs/dbraw/zinc/74/57/50/367745750.db2.gz FCGQIAYNQOUYHR-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)CC(C)(C)C ZINC000384864974 367746599 /nfs/dbraw/zinc/74/65/99/367746599.db2.gz FCGQIAYNQOUYHR-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)CC(C)(C)C ZINC000384864975 367745594 /nfs/dbraw/zinc/74/55/94/367745594.db2.gz FCGQIAYNQOUYHR-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)CC(C)(C)C ZINC000384864976 367746438 /nfs/dbraw/zinc/74/64/38/367746438.db2.gz FCGQIAYNQOUYHR-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC000384869318 367748024 /nfs/dbraw/zinc/74/80/24/367748024.db2.gz FWBMWOHVJHKCIC-JTQLQIEISA-N 1 0 211.374 3.662 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC000384869320 367747910 /nfs/dbraw/zinc/74/79/10/367747910.db2.gz FWBMWOHVJHKCIC-SNVBAGLBSA-N 1 0 211.374 3.662 20 0 BHADRO CCSCCC[NH2+][C@H](C)CC(C)(C)C ZINC000384878941 367748513 /nfs/dbraw/zinc/74/85/13/367748513.db2.gz HXVIQCQMKYLDRR-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000384878942 367748754 /nfs/dbraw/zinc/74/87/54/367748754.db2.gz HXVIQCQMKYLDRR-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000384879368 539012951 /nfs/dbraw/zinc/01/29/51/539012951.db2.gz QKCYAWUVQHWOMC-FSIBCCDJSA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000384879369 539013184 /nfs/dbraw/zinc/01/31/84/539013184.db2.gz QKCYAWUVQHWOMC-HMDXOVGESA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000384879370 539013267 /nfs/dbraw/zinc/01/32/67/539013267.db2.gz QKCYAWUVQHWOMC-UMBAGQNISA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000384879371 539013205 /nfs/dbraw/zinc/01/32/05/539013205.db2.gz QKCYAWUVQHWOMC-XOULXFPDSA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000384884604 367750026 /nfs/dbraw/zinc/75/00/26/367750026.db2.gz RUDHIDRAZOJZIX-IHWYPQMZSA-N 1 0 247.235 3.510 20 0 BHADRO C/C=C/C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000384884605 367750810 /nfs/dbraw/zinc/75/08/10/367750810.db2.gz RUDHIDRAZOJZIX-NSCUHMNNSA-N 1 0 247.235 3.510 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000384887751 398115375 /nfs/dbraw/zinc/11/53/75/398115375.db2.gz SOBKZHJPUVIOFP-DHCBQETCSA-N 1 0 229.367 3.792 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000384887752 398115207 /nfs/dbraw/zinc/11/52/07/398115207.db2.gz SOBKZHJPUVIOFP-ITDFMYJTSA-N 1 0 229.367 3.792 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000384887755 398115966 /nfs/dbraw/zinc/11/59/66/398115966.db2.gz SOBKZHJPUVIOFP-OOPCZODUSA-N 1 0 229.367 3.792 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000384887757 398116073 /nfs/dbraw/zinc/11/60/73/398116073.db2.gz SOBKZHJPUVIOFP-SCOBNMCVSA-N 1 0 229.367 3.792 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000384892677 367752231 /nfs/dbraw/zinc/75/22/31/367752231.db2.gz LGUQMSGPEGUNBV-BFJAYTPKSA-N 1 0 247.382 3.683 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1 ZINC000384892678 367751935 /nfs/dbraw/zinc/75/19/35/367751935.db2.gz LGUQMSGPEGUNBV-DARAHFNDSA-N 1 0 247.382 3.683 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1 ZINC000384892679 367752437 /nfs/dbraw/zinc/75/24/37/367752437.db2.gz LGUQMSGPEGUNBV-LQKXBSAESA-N 1 0 247.382 3.683 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000384892680 367752411 /nfs/dbraw/zinc/75/24/11/367752411.db2.gz LGUQMSGPEGUNBV-LUYZLQTOSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccco1 ZINC000384892726 367752190 /nfs/dbraw/zinc/75/21/90/367752190.db2.gz LHPKOALWKJGNHX-GHMZBOCLSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccco1 ZINC000384892727 367751710 /nfs/dbraw/zinc/75/17/10/367751710.db2.gz LHPKOALWKJGNHX-MNOVXSKESA-N 1 0 209.333 3.755 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccco1 ZINC000384892728 367752026 /nfs/dbraw/zinc/75/20/26/367752026.db2.gz LHPKOALWKJGNHX-QWRGUYRKSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccco1 ZINC000384892729 367751734 /nfs/dbraw/zinc/75/17/34/367751734.db2.gz LHPKOALWKJGNHX-WDEREUQCSA-N 1 0 209.333 3.755 20 0 BHADRO CC/C=C\C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000384904583 367754760 /nfs/dbraw/zinc/75/47/60/367754760.db2.gz OTHWXGJQHZKDNP-ARJAWSKDSA-N 1 0 233.330 3.628 20 0 BHADRO CC/C=C/C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000384904584 367754517 /nfs/dbraw/zinc/75/45/17/367754517.db2.gz OTHWXGJQHZKDNP-ONEGZZNKSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccco1 ZINC000384904730 367754856 /nfs/dbraw/zinc/75/48/56/367754856.db2.gz BTMYRQSDJDEIDL-LLVKDONJSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccco1 ZINC000384904731 367754807 /nfs/dbraw/zinc/75/48/07/367754807.db2.gz BTMYRQSDJDEIDL-NSHDSACASA-N 1 0 221.344 3.757 20 0 BHADRO C1=C(CC[NH2+]CC2CCSCC2)CCCC1 ZINC000384909132 398260488 /nfs/dbraw/zinc/26/04/88/398260488.db2.gz BJKSZWYCRPADDG-UHFFFAOYSA-N 1 0 239.428 3.610 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000384914590 367756104 /nfs/dbraw/zinc/75/61/04/367756104.db2.gz YWKWHRFMSPXHMM-LWTINBJPSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)CCCC(F)(F)F ZINC000384914607 367756447 /nfs/dbraw/zinc/75/64/47/367756447.db2.gz YWKWHRFMSPXHMM-ORAHPGNNSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)CCCC(F)(F)F ZINC000384914610 367756263 /nfs/dbraw/zinc/75/62/63/367756263.db2.gz YWKWHRFMSPXHMM-UMCURTJPSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000384914612 367755931 /nfs/dbraw/zinc/75/59/31/367755931.db2.gz YWKWHRFMSPXHMM-YEZKRMTDSA-N 1 0 223.282 3.663 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917327 398260635 /nfs/dbraw/zinc/26/06/35/398260635.db2.gz ZHCYGXHLZHFNHF-FSIBCCDJSA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917328 398117894 /nfs/dbraw/zinc/11/78/94/398117894.db2.gz ZHCYGXHLZHFNHF-HMDXOVGESA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917329 398117832 /nfs/dbraw/zinc/11/78/32/398117832.db2.gz ZHCYGXHLZHFNHF-UMBAGQNISA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917330 398117773 /nfs/dbraw/zinc/11/77/73/398117773.db2.gz ZHCYGXHLZHFNHF-XOULXFPDSA-N 1 0 243.272 3.932 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000384918892 710999967 /nfs/dbraw/zinc/99/99/67/710999967.db2.gz QWXCGBUONJIABN-JTQLQIEISA-N 1 0 217.422 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C)CC(C)(C)C ZINC000384918897 711000595 /nfs/dbraw/zinc/00/05/95/711000595.db2.gz QWXCGBUONJIABN-SNVBAGLBSA-N 1 0 217.422 3.542 20 0 BHADRO CC/C=C\C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000384918898 367757590 /nfs/dbraw/zinc/75/75/90/367757590.db2.gz QWZFCIOXXGUYQJ-ARJAWSKDSA-N 1 0 233.330 3.628 20 0 BHADRO CC/C=C/C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000384918908 367757090 /nfs/dbraw/zinc/75/70/90/367757090.db2.gz QWZFCIOXXGUYQJ-ONEGZZNKSA-N 1 0 233.330 3.628 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918954 539012929 /nfs/dbraw/zinc/01/29/29/539012929.db2.gz ZLQWUZQNHXLNSG-FSIBCCDJSA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918955 539013027 /nfs/dbraw/zinc/01/30/27/539013027.db2.gz ZLQWUZQNHXLNSG-HMDXOVGESA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918960 539012899 /nfs/dbraw/zinc/01/28/99/539012899.db2.gz ZLQWUZQNHXLNSG-UMBAGQNISA-N 1 0 243.272 3.932 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918963 539013136 /nfs/dbraw/zinc/01/31/36/539013136.db2.gz ZLQWUZQNHXLNSG-XOULXFPDSA-N 1 0 243.272 3.932 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1cccnc1 ZINC000384924172 367758395 /nfs/dbraw/zinc/75/83/95/367758395.db2.gz GZSKCFYVIVTRNJ-GFCCVEGCSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1cccnc1 ZINC000384924175 367758616 /nfs/dbraw/zinc/75/86/16/367758616.db2.gz GZSKCFYVIVTRNJ-LBPRGKRZSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)CCCC(C)C ZINC000384931851 367760647 /nfs/dbraw/zinc/76/06/47/367760647.db2.gz INSNJWTWBRZQHR-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H](C)CCCC(C)C ZINC000384931855 367760156 /nfs/dbraw/zinc/76/01/56/367760156.db2.gz INSNJWTWBRZQHR-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(C)c1 ZINC000384934818 367760721 /nfs/dbraw/zinc/76/07/21/367760721.db2.gz SXOQFZQQOGUFQN-HLPPOEQASA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(C)c1 ZINC000384934823 367760346 /nfs/dbraw/zinc/76/03/46/367760346.db2.gz SXOQFZQQOGUFQN-ORIJERBGSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(C)c1 ZINC000384934824 367760509 /nfs/dbraw/zinc/76/05/09/367760509.db2.gz SXOQFZQQOGUFQN-RZLSGREXSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(C)c1 ZINC000384934825 367760625 /nfs/dbraw/zinc/76/06/25/367760625.db2.gz SXOQFZQQOGUFQN-TTZDDIAXSA-N 1 0 247.382 3.520 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000384936885 367761769 /nfs/dbraw/zinc/76/17/69/367761769.db2.gz TXCAMUVQRPWHIN-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000384936886 367761414 /nfs/dbraw/zinc/76/14/14/367761414.db2.gz TXCAMUVQRPWHIN-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000384936887 367761114 /nfs/dbraw/zinc/76/11/14/367761114.db2.gz TXCAMUVQRPWHIN-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccncc1 ZINC000384936888 367761306 /nfs/dbraw/zinc/76/13/06/367761306.db2.gz TXCAMUVQRPWHIN-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000384937905 367761465 /nfs/dbraw/zinc/76/14/65/367761465.db2.gz DPURCXBUCINVJP-ARJAWSKDSA-N 1 0 241.334 3.514 20 0 BHADRO C/C=C/C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000384937907 344270562 /nfs/dbraw/zinc/27/05/62/344270562.db2.gz DPURCXBUCINVJP-ONEGZZNKSA-N 1 0 241.334 3.514 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccccc1 ZINC000384953755 367763633 /nfs/dbraw/zinc/76/36/33/367763633.db2.gz GMPBXPNHIWNIRU-DZGCQCFKSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccccc1 ZINC000384953757 367764119 /nfs/dbraw/zinc/76/41/19/367764119.db2.gz GMPBXPNHIWNIRU-HIFRSBDPSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccccc1 ZINC000384953758 367764141 /nfs/dbraw/zinc/76/41/41/367764141.db2.gz GMPBXPNHIWNIRU-UKRRQHHQSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccccc1 ZINC000384953760 367763997 /nfs/dbraw/zinc/76/39/97/367763997.db2.gz GMPBXPNHIWNIRU-ZFWWWQNUSA-N 1 0 249.398 3.667 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1cncs1 ZINC000384955352 367764129 /nfs/dbraw/zinc/76/41/29/367764129.db2.gz MJTXGLJCMQSYOA-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1cncs1 ZINC000384955355 367763776 /nfs/dbraw/zinc/76/37/76/367763776.db2.gz MJTXGLJCMQSYOA-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(C)c1 ZINC000384962553 367766049 /nfs/dbraw/zinc/76/60/49/367766049.db2.gz HLQQKINAAHISFI-KBPBESRZSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c(C)c1 ZINC000384962554 367766513 /nfs/dbraw/zinc/76/65/13/367766513.db2.gz HLQQKINAAHISFI-KGLIPLIRSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(C)c1 ZINC000384962555 367766965 /nfs/dbraw/zinc/76/69/65/367766965.db2.gz HLQQKINAAHISFI-UONOGXRCSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c(C)c1 ZINC000384962556 367766528 /nfs/dbraw/zinc/76/65/28/367766528.db2.gz HLQQKINAAHISFI-ZIAGYGMSSA-N 1 0 249.398 3.504 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cccs1 ZINC000384963134 367766668 /nfs/dbraw/zinc/76/66/68/367766668.db2.gz WZGMFLQRYWPOTR-JTQLQIEISA-N 1 0 211.374 3.662 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cccs1 ZINC000384963135 367766829 /nfs/dbraw/zinc/76/68/29/367766829.db2.gz WZGMFLQRYWPOTR-SNVBAGLBSA-N 1 0 211.374 3.662 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)C1CCC1 ZINC000384964432 367766771 /nfs/dbraw/zinc/76/67/71/367766771.db2.gz OBBQCWJBPXHQTM-UHFFFAOYSA-N 1 0 221.344 3.504 20 0 BHADRO CSCCCC[NH2+][C@H](C)CC(C)(C)C ZINC000384967180 367766949 /nfs/dbraw/zinc/76/69/49/367766949.db2.gz XNVCLOOONIXHOM-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000384967181 367766323 /nfs/dbraw/zinc/76/63/23/367766323.db2.gz XNVCLOOONIXHOM-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CC(C)C1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000384970354 367767690 /nfs/dbraw/zinc/76/76/90/367767690.db2.gz KXXQUJOERPHDLX-UHFFFAOYSA-N 1 0 246.398 3.634 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000384972695 711001006 /nfs/dbraw/zinc/00/10/06/711001006.db2.gz LLYIBSDRHYHMAJ-UHFFFAOYSA-N 1 0 249.398 3.584 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C)C2CC2)cc1 ZINC000384978498 367768291 /nfs/dbraw/zinc/76/82/91/367768291.db2.gz PARHWACWQVOKFL-HFBAOOFYSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000384978499 367768322 /nfs/dbraw/zinc/76/83/22/367768322.db2.gz PARHWACWQVOKFL-IUIKQTSFSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000384978501 367768753 /nfs/dbraw/zinc/76/87/53/367768753.db2.gz PARHWACWQVOKFL-KNXALSJPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H]2C)C2CC2)cc1 ZINC000384978503 367768933 /nfs/dbraw/zinc/76/89/33/367768933.db2.gz PARHWACWQVOKFL-XFBWCDHKSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1cscn1 ZINC000384983208 367769902 /nfs/dbraw/zinc/76/99/02/367769902.db2.gz RCVSLAUVBAIUPV-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1cscn1 ZINC000384983210 367770381 /nfs/dbraw/zinc/77/03/81/367770381.db2.gz RCVSLAUVBAIUPV-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1nccs1 ZINC000384987637 367769840 /nfs/dbraw/zinc/76/98/40/367769840.db2.gz SGZUBYMVDRBYGU-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1nccs1 ZINC000384987638 367769541 /nfs/dbraw/zinc/76/95/41/367769541.db2.gz SGZUBYMVDRBYGU-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccncc1C ZINC000384994556 367770880 /nfs/dbraw/zinc/77/08/80/367770880.db2.gz UKJBZISYRZSMFN-HNNXBMFYSA-N 1 0 234.387 3.839 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccncc1C ZINC000384994558 367770568 /nfs/dbraw/zinc/77/05/68/367770568.db2.gz UKJBZISYRZSMFN-OAHLLOKOSA-N 1 0 234.387 3.839 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccccc1 ZINC000384995464 367770967 /nfs/dbraw/zinc/77/09/67/367770967.db2.gz LGGLWFZQGIPELH-DZGCQCFKSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccccc1 ZINC000384995470 367770592 /nfs/dbraw/zinc/77/05/92/367770592.db2.gz LGGLWFZQGIPELH-HIFRSBDPSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccccc1 ZINC000384995472 367771078 /nfs/dbraw/zinc/77/10/78/367771078.db2.gz LGGLWFZQGIPELH-UKRRQHHQSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccccc1 ZINC000384995473 367770928 /nfs/dbraw/zinc/77/09/28/367770928.db2.gz LGGLWFZQGIPELH-ZFWWWQNUSA-N 1 0 249.398 3.523 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(CC)s1 ZINC000385010495 344294692 /nfs/dbraw/zinc/29/46/92/344294692.db2.gz NFRHCVIRBJYRDD-AYYIZTPMSA-N 1 0 209.358 3.537 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(CC)s1 ZINC000385010502 367772661 /nfs/dbraw/zinc/77/26/61/367772661.db2.gz NFRHCVIRBJYRDD-DFVUYQKZSA-N 1 0 209.358 3.537 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000385010503 367772584 /nfs/dbraw/zinc/77/25/84/367772584.db2.gz NFRHCVIRBJYRDD-OAQKJQOQSA-N 1 0 209.358 3.537 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000385010504 344294397 /nfs/dbraw/zinc/29/43/97/344294397.db2.gz NFRHCVIRBJYRDD-RWCYGVJQSA-N 1 0 209.358 3.537 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011115 539013238 /nfs/dbraw/zinc/01/32/38/539013238.db2.gz NIAPWANRGAYOCF-GEXIGZQTSA-N 1 0 247.382 3.948 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011117 539013244 /nfs/dbraw/zinc/01/32/44/539013244.db2.gz NIAPWANRGAYOCF-GJBLVYBDSA-N 1 0 247.382 3.948 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011118 539013088 /nfs/dbraw/zinc/01/30/88/539013088.db2.gz NIAPWANRGAYOCF-GXMNPTEKSA-N 1 0 247.382 3.948 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011120 539012974 /nfs/dbraw/zinc/01/29/74/539012974.db2.gz NIAPWANRGAYOCF-VBROQKIQSA-N 1 0 247.382 3.948 20 0 BHADRO C/C=C/C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000385014250 367772187 /nfs/dbraw/zinc/77/21/87/367772187.db2.gz NRVDSZZFLKVZNJ-FAAWYNLUSA-N 1 0 240.350 3.711 20 0 BHADRO C/C=C\C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000385014253 344294459 /nfs/dbraw/zinc/29/44/59/344294459.db2.gz NRVDSZZFLKVZNJ-GWQWAINWSA-N 1 0 240.350 3.711 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000385014255 344294499 /nfs/dbraw/zinc/29/44/99/344294499.db2.gz NRVDSZZFLKVZNJ-MPNWYJEXSA-N 1 0 240.350 3.711 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000385014257 367772329 /nfs/dbraw/zinc/77/23/29/367772329.db2.gz NRVDSZZFLKVZNJ-XYBNCVKDSA-N 1 0 240.350 3.711 20 0 BHADRO c1ccc(CC[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000385014357 367772897 /nfs/dbraw/zinc/77/28/97/367772897.db2.gz XWGKVNABTVMUCM-UHFFFAOYSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccoc1 ZINC000385017880 487760615 /nfs/dbraw/zinc/76/06/15/487760615.db2.gz ZGQDSJYRYRXDHM-LLVKDONJSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccoc1 ZINC000385017881 487760598 /nfs/dbraw/zinc/76/05/98/487760598.db2.gz ZGQDSJYRYRXDHM-NSHDSACASA-N 1 0 221.344 3.757 20 0 BHADRO C/C=C\C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000385019131 384178727 /nfs/dbraw/zinc/17/87/27/384178727.db2.gz OGELOUUBKFYXPN-ARJAWSKDSA-N 1 0 241.334 3.514 20 0 BHADRO C/C=C/C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000385019132 384177909 /nfs/dbraw/zinc/17/79/09/384177909.db2.gz OGELOUUBKFYXPN-ONEGZZNKSA-N 1 0 241.334 3.514 20 0 BHADRO Cc1cnccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000385020406 398127830 /nfs/dbraw/zinc/12/78/30/398127830.db2.gz ZTDIJCJEUAXQEH-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(C)cc1 ZINC000385038241 367777037 /nfs/dbraw/zinc/77/70/37/367777037.db2.gz QUZPGBCKYCDEHS-DZGCQCFKSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(C)cc1 ZINC000385038243 367776692 /nfs/dbraw/zinc/77/66/92/367776692.db2.gz QUZPGBCKYCDEHS-HIFRSBDPSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(C)cc1 ZINC000385038244 367776874 /nfs/dbraw/zinc/77/68/74/367776874.db2.gz QUZPGBCKYCDEHS-UKRRQHHQSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(C)cc1 ZINC000385038245 367777776 /nfs/dbraw/zinc/77/77/76/367777776.db2.gz QUZPGBCKYCDEHS-ZFWWWQNUSA-N 1 0 249.398 3.585 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)CC(C)(C)C ZINC000385057383 711004051 /nfs/dbraw/zinc/00/40/51/711004051.db2.gz CLIZZXZNDHYABR-NEPJUHHUSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000385057397 711003957 /nfs/dbraw/zinc/00/39/57/711003957.db2.gz CLIZZXZNDHYABR-NWDGAFQWSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)CC(C)(C)C ZINC000385057398 711004769 /nfs/dbraw/zinc/00/47/69/711004769.db2.gz CLIZZXZNDHYABR-RYUDHWBXSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@H](C)CC(C)(C)C ZINC000385057399 711004272 /nfs/dbraw/zinc/00/42/72/711004272.db2.gz CLIZZXZNDHYABR-VXGBXAGGSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000385060861 367781556 /nfs/dbraw/zinc/78/15/56/367781556.db2.gz CVNTTYZQSJLZOK-NEPJUHHUSA-N 1 0 235.371 3.868 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cccc(O)c1 ZINC000385060862 350758362 /nfs/dbraw/zinc/75/83/62/350758362.db2.gz CVNTTYZQSJLZOK-NWDGAFQWSA-N 1 0 235.371 3.868 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000385060865 388573437 /nfs/dbraw/zinc/57/34/37/388573437.db2.gz CVNTTYZQSJLZOK-RYUDHWBXSA-N 1 0 235.371 3.868 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000385060866 388573820 /nfs/dbraw/zinc/57/38/20/388573820.db2.gz CVNTTYZQSJLZOK-VXGBXAGGSA-N 1 0 235.371 3.868 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000385062782 388573722 /nfs/dbraw/zinc/57/37/22/388573722.db2.gz DAHNDFRBSZPINW-GHMZBOCLSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000385062787 388573889 /nfs/dbraw/zinc/57/38/89/388573889.db2.gz DAHNDFRBSZPINW-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000385062788 388573804 /nfs/dbraw/zinc/57/38/04/388573804.db2.gz DAHNDFRBSZPINW-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cncc(F)c1 ZINC000385062789 388573337 /nfs/dbraw/zinc/57/33/37/388573337.db2.gz DAHNDFRBSZPINW-WDEREUQCSA-N 1 0 238.350 3.696 20 0 BHADRO CCC1(C[NH2+][C@H](C)CC(C)(C)C)CCOCC1 ZINC000385069996 367783100 /nfs/dbraw/zinc/78/31/00/367783100.db2.gz DNDDMIOCEMDOKQ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CC(C)(C)C)CCOCC1 ZINC000385069997 367782527 /nfs/dbraw/zinc/78/25/27/367782527.db2.gz DNDDMIOCEMDOKQ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C/C=C/C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081511 356893216 /nfs/dbraw/zinc/89/32/16/356893216.db2.gz WURUQKUUQYHQPY-KQIUPUNMSA-N 1 0 248.326 3.602 20 0 BHADRO C/C=C/C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081513 356893227 /nfs/dbraw/zinc/89/32/27/356893227.db2.gz WURUQKUUQYHQPY-LYKUJDHUSA-N 1 0 248.326 3.602 20 0 BHADRO C/C=C\C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081515 356893241 /nfs/dbraw/zinc/89/32/41/356893241.db2.gz WURUQKUUQYHQPY-MFBWXBCUSA-N 1 0 248.326 3.602 20 0 BHADRO C/C=C\C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081516 356893222 /nfs/dbraw/zinc/89/32/22/356893222.db2.gz WURUQKUUQYHQPY-PKXJPQMGSA-N 1 0 248.326 3.602 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000385084629 367786762 /nfs/dbraw/zinc/78/67/62/367786762.db2.gz XCSOYOAVENNSKU-KBPBESRZSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000385084630 367786357 /nfs/dbraw/zinc/78/63/57/367786357.db2.gz XCSOYOAVENNSKU-KGLIPLIRSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000385084631 367787306 /nfs/dbraw/zinc/78/73/06/367787306.db2.gz XCSOYOAVENNSKU-UONOGXRCSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000385084632 367786505 /nfs/dbraw/zinc/78/65/05/367786505.db2.gz XCSOYOAVENNSKU-ZIAGYGMSSA-N 1 0 249.398 3.504 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000385094495 367787939 /nfs/dbraw/zinc/78/79/39/367787939.db2.gz YNVGCFSVMPXRPL-ARJAWSKDSA-N 1 0 241.334 3.514 20 0 BHADRO COc1ccc(CC[NH2+]C(C(C)C)C(C)C)cc1 ZINC000385099967 539013086 /nfs/dbraw/zinc/01/30/86/539013086.db2.gz MHRCQNZBDMHGLX-UHFFFAOYSA-N 1 0 249.398 3.508 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000385101890 367790745 /nfs/dbraw/zinc/79/07/45/367790745.db2.gz MVYMSDQDNCNAJB-DVOMOZLQSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000385101891 367791151 /nfs/dbraw/zinc/79/11/51/367791151.db2.gz MVYMSDQDNCNAJB-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000385101892 367790466 /nfs/dbraw/zinc/79/04/66/367790466.db2.gz MVYMSDQDNCNAJB-WWGRRREGSA-N 1 0 247.382 3.925 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000385101893 367791038 /nfs/dbraw/zinc/79/10/38/367791038.db2.gz MVYMSDQDNCNAJB-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000385105027 367790421 /nfs/dbraw/zinc/79/04/21/367790421.db2.gz BSJAWLWBLUQAJZ-LWTINBJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000385105035 367792112 /nfs/dbraw/zinc/79/21/12/367792112.db2.gz BSJAWLWBLUQAJZ-ORAHPGNNSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000385105042 367792196 /nfs/dbraw/zinc/79/21/96/367792196.db2.gz BSJAWLWBLUQAJZ-UMCURTJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000385105045 367792300 /nfs/dbraw/zinc/79/23/00/367792300.db2.gz BSJAWLWBLUQAJZ-YEZKRMTDSA-N 1 0 225.282 3.582 20 0 BHADRO CC[NH2+]Cc1cc(-c2cocc2C)ccc1F ZINC000385107116 711005693 /nfs/dbraw/zinc/00/56/93/711005693.db2.gz CDECAMCLGPZCGI-UHFFFAOYSA-N 1 0 233.286 3.504 20 0 BHADRO Cc1cocc1-c1ccc(F)c(C[NH2+]C2CC2)c1 ZINC000385107322 711005580 /nfs/dbraw/zinc/00/55/80/711005580.db2.gz CEUBUZNIONQPHI-UHFFFAOYSA-N 1 0 245.297 3.646 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000385109555 350769561 /nfs/dbraw/zinc/76/95/61/350769561.db2.gz CQZBLWKHELYWDK-LWTINBJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000385109558 350769576 /nfs/dbraw/zinc/76/95/76/350769576.db2.gz CQZBLWKHELYWDK-ORAHPGNNSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000385109560 350769780 /nfs/dbraw/zinc/76/97/80/350769780.db2.gz CQZBLWKHELYWDK-UMCURTJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000385109562 350769305 /nfs/dbraw/zinc/76/93/05/350769305.db2.gz CQZBLWKHELYWDK-YEZKRMTDSA-N 1 0 225.282 3.582 20 0 BHADRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1cccc(C)c1 ZINC000385114469 367794020 /nfs/dbraw/zinc/79/40/20/367794020.db2.gz ACQMITRARNIHPG-CVEARBPZSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1cccc(C)c1 ZINC000385114471 367794560 /nfs/dbraw/zinc/79/45/60/367794560.db2.gz ACQMITRARNIHPG-HOTGVXAUSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1cccc(C)c1 ZINC000385114472 367794050 /nfs/dbraw/zinc/79/40/50/367794050.db2.gz ACQMITRARNIHPG-HZPDHXFCSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1cccc(C)c1 ZINC000385114473 367794318 /nfs/dbraw/zinc/79/43/18/367794318.db2.gz ACQMITRARNIHPG-JKSUJKDBSA-N 1 0 249.398 3.707 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000385116610 344902082 /nfs/dbraw/zinc/90/20/82/344902082.db2.gz DWYFUVMZUFOYJI-LWTINBJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000385116611 367795171 /nfs/dbraw/zinc/79/51/71/367795171.db2.gz DWYFUVMZUFOYJI-ORAHPGNNSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000385116613 367795966 /nfs/dbraw/zinc/79/59/66/367795966.db2.gz DWYFUVMZUFOYJI-UMCURTJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000385116614 367795204 /nfs/dbraw/zinc/79/52/04/367795204.db2.gz DWYFUVMZUFOYJI-YEZKRMTDSA-N 1 0 225.282 3.582 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000385147515 711006196 /nfs/dbraw/zinc/00/61/96/711006196.db2.gz QCXGAHIBMGTRBB-DVOMOZLQSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000385147516 711006287 /nfs/dbraw/zinc/00/62/87/711006287.db2.gz QCXGAHIBMGTRBB-HEHGZKQESA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000385147517 711006294 /nfs/dbraw/zinc/00/62/94/711006294.db2.gz QCXGAHIBMGTRBB-WWGRRREGSA-N 1 0 247.382 3.923 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000385147518 711005206 /nfs/dbraw/zinc/00/52/06/711005206.db2.gz QCXGAHIBMGTRBB-XEZPLFJOSA-N 1 0 247.382 3.923 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000385160261 367803165 /nfs/dbraw/zinc/80/31/65/367803165.db2.gz LECSLNVVIXAJCS-ARJAWSKDSA-N 1 0 225.282 3.680 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000385160263 367803476 /nfs/dbraw/zinc/80/34/76/367803476.db2.gz LECSLNVVIXAJCS-ONEGZZNKSA-N 1 0 225.282 3.680 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000385160294 367803554 /nfs/dbraw/zinc/80/35/54/367803554.db2.gz NVEXTTOBZRBTKX-GHMZBOCLSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000385160295 367803532 /nfs/dbraw/zinc/80/35/32/367803532.db2.gz NVEXTTOBZRBTKX-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000385160296 367803133 /nfs/dbraw/zinc/80/31/33/367803133.db2.gz NVEXTTOBZRBTKX-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccc(F)cn1 ZINC000385160298 367803704 /nfs/dbraw/zinc/80/37/04/367803704.db2.gz NVEXTTOBZRBTKX-WDEREUQCSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000385173107 367804875 /nfs/dbraw/zinc/80/48/75/367804875.db2.gz PJENZSQDLZIDQA-HNNXBMFYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000385173110 367805393 /nfs/dbraw/zinc/80/53/93/367805393.db2.gz PJENZSQDLZIDQA-OAHLLOKOSA-N 1 0 247.382 3.752 20 0 BHADRO CC/C=C\C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000385175799 367805192 /nfs/dbraw/zinc/80/51/92/367805192.db2.gz MTYGGDLNHMXMBB-ANDSXOESSA-N 1 0 235.293 3.663 20 0 BHADRO CC/C=C\C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000385175800 367805306 /nfs/dbraw/zinc/80/53/06/367805306.db2.gz MTYGGDLNHMXMBB-CBZSPVTBSA-N 1 0 235.293 3.663 20 0 BHADRO CC/C=C/C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000385175801 367805023 /nfs/dbraw/zinc/80/50/23/367805023.db2.gz MTYGGDLNHMXMBB-MJKAUQOVSA-N 1 0 235.293 3.663 20 0 BHADRO CC/C=C/C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000385175802 344954355 /nfs/dbraw/zinc/95/43/55/344954355.db2.gz MTYGGDLNHMXMBB-YIZUVKHSSA-N 1 0 235.293 3.663 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC(C)(C)CC2)nc1 ZINC000385177233 539012942 /nfs/dbraw/zinc/01/29/42/539012942.db2.gz ITSVYMRXCQHHTP-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000385182147 398261931 /nfs/dbraw/zinc/26/19/31/398261931.db2.gz NMHDSVWTSHTXGM-LLVKDONJSA-N 1 0 248.370 3.833 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000385182185 398138690 /nfs/dbraw/zinc/13/86/90/398138690.db2.gz NMHDSVWTSHTXGM-NSHDSACASA-N 1 0 248.370 3.833 20 0 BHADRO Cc1cocc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000385187307 344366570 /nfs/dbraw/zinc/36/65/70/344366570.db2.gz MPYICCQCKMSQCL-UHFFFAOYSA-N 1 0 227.307 3.507 20 0 BHADRO CSC(C)(C)CC[NH2+]Cc1cscc1C ZINC000385198032 711006916 /nfs/dbraw/zinc/00/69/16/711006916.db2.gz FCJFTTDVHOHDBB-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO CSCCCCC[NH2+]CCC(C)(C)SC ZINC000385198050 711007390 /nfs/dbraw/zinc/00/73/90/711007390.db2.gz FCNIMYKGLALSOF-UHFFFAOYSA-N 1 0 249.489 3.641 20 0 BHADRO Cc1cocc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000385219237 344377394 /nfs/dbraw/zinc/37/73/94/344377394.db2.gz QUOLTKKJSGQYFY-UHFFFAOYSA-N 1 0 229.323 3.753 20 0 BHADRO CC/C=C\C[NH2+][C@@H]1CCSc2ccccc21 ZINC000385241580 367812352 /nfs/dbraw/zinc/81/23/52/367812352.db2.gz VONPKYGHKQXBRE-ACVFHECNSA-N 1 0 233.380 3.779 20 0 BHADRO CC/C=C\C[NH2+][C@H]1CCSc2ccccc21 ZINC000385241589 367811447 /nfs/dbraw/zinc/81/14/47/367811447.db2.gz VONPKYGHKQXBRE-RJNRQISESA-N 1 0 233.380 3.779 20 0 BHADRO CC/C=C/C[NH2+][C@@H]1CCSc2ccccc21 ZINC000385242053 367811817 /nfs/dbraw/zinc/81/18/17/367811817.db2.gz VONPKYGHKQXBRE-VUUYWXRKSA-N 1 0 233.380 3.779 20 0 BHADRO CC/C=C/C[NH2+][C@H]1CCSc2ccccc21 ZINC000385242055 367812383 /nfs/dbraw/zinc/81/23/83/367812383.db2.gz VONPKYGHKQXBRE-YIALFULDSA-N 1 0 233.380 3.779 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1ccccn1 ZINC000385249576 539013075 /nfs/dbraw/zinc/01/30/75/539013075.db2.gz QABBLEPRKWSQDF-ZDUSSCGKSA-N 1 0 246.398 3.949 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000385253481 342712023 /nfs/dbraw/zinc/71/20/23/342712023.db2.gz XIPYVPQSFFXJIN-LWTINBJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cccc(F)c1F ZINC000385253482 342711990 /nfs/dbraw/zinc/71/19/90/342711990.db2.gz XIPYVPQSFFXJIN-ORAHPGNNSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cccc(F)c1F ZINC000385253487 342712137 /nfs/dbraw/zinc/71/21/37/342712137.db2.gz XIPYVPQSFFXJIN-UMCURTJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000385253488 342712119 /nfs/dbraw/zinc/71/21/19/342712119.db2.gz XIPYVPQSFFXJIN-YEZKRMTDSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000385268561 367815180 /nfs/dbraw/zinc/81/51/80/367815180.db2.gz ZPYMMCXNQPZGKW-LWTINBJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000385268562 367815129 /nfs/dbraw/zinc/81/51/29/367815129.db2.gz ZPYMMCXNQPZGKW-ORAHPGNNSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000385268570 367814812 /nfs/dbraw/zinc/81/48/12/367814812.db2.gz ZPYMMCXNQPZGKW-UMCURTJPSA-N 1 0 225.282 3.582 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000385268573 367815022 /nfs/dbraw/zinc/81/50/22/367815022.db2.gz ZPYMMCXNQPZGKW-YEZKRMTDSA-N 1 0 225.282 3.582 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000385271121 367814924 /nfs/dbraw/zinc/81/49/24/367814924.db2.gz YBMWLCDSGRPRSV-JTQLQIEISA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C(C1CC1)C1CC1 ZINC000385271129 342721548 /nfs/dbraw/zinc/72/15/48/342721548.db2.gz YBMWLCDSGRPRSV-SNVBAGLBSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000385276329 367816059 /nfs/dbraw/zinc/81/60/59/367816059.db2.gz YNMCHXUMUPXIBK-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000385276335 367816795 /nfs/dbraw/zinc/81/67/95/367816795.db2.gz YNMCHXUMUPXIBK-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000385276337 367816461 /nfs/dbraw/zinc/81/64/61/367816461.db2.gz YNMCHXUMUPXIBK-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000385276339 367816771 /nfs/dbraw/zinc/81/67/71/367816771.db2.gz YNMCHXUMUPXIBK-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000385278208 342726778 /nfs/dbraw/zinc/72/67/78/342726778.db2.gz YRWAISDBYRHKDE-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000385278209 342726745 /nfs/dbraw/zinc/72/67/45/342726745.db2.gz YRWAISDBYRHKDE-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000385278211 342726682 /nfs/dbraw/zinc/72/66/82/342726682.db2.gz YRWAISDBYRHKDE-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000385278212 342726764 /nfs/dbraw/zinc/72/67/64/342726764.db2.gz YRWAISDBYRHKDE-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000385283110 711009490 /nfs/dbraw/zinc/00/94/90/711009490.db2.gz ZBYGVLRMNFFERE-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000385283116 711009341 /nfs/dbraw/zinc/00/93/41/711009341.db2.gz ZBYGVLRMNFFERE-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000385283372 367816622 /nfs/dbraw/zinc/81/66/22/367816622.db2.gz AOSFBDJCAIYSLU-GMZKHCIJSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000385283375 367816163 /nfs/dbraw/zinc/81/61/63/367816163.db2.gz AOSFBDJCAIYSLU-HRDMENRUSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000385283379 367816681 /nfs/dbraw/zinc/81/66/81/367816681.db2.gz AOSFBDJCAIYSLU-KPHYFBGPSA-N 1 0 241.444 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000385283385 367816198 /nfs/dbraw/zinc/81/61/98/367816198.db2.gz AOSFBDJCAIYSLU-XPXVYLNCSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000385289284 711688626 /nfs/dbraw/zinc/68/86/26/711688626.db2.gz ZQGCUEGSYWDQEW-LLVKDONJSA-N 1 0 248.345 3.612 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000385289287 711688663 /nfs/dbraw/zinc/68/86/63/711688663.db2.gz ZQGCUEGSYWDQEW-NSHDSACASA-N 1 0 248.345 3.612 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000385291849 367817667 /nfs/dbraw/zinc/81/76/67/367817667.db2.gz CJYNDZZQXDSHLF-ABXWRUBCSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000385291851 342732225 /nfs/dbraw/zinc/73/22/25/342732225.db2.gz CJYNDZZQXDSHLF-BLYZHGLHSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000385291853 342732488 /nfs/dbraw/zinc/73/24/88/342732488.db2.gz CJYNDZZQXDSHLF-GFJIZPEISA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000385291856 367817149 /nfs/dbraw/zinc/81/71/49/367817149.db2.gz CJYNDZZQXDSHLF-RYSNWHEDSA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)CC[NH2+]Cc1sccc1C ZINC000385314495 711010088 /nfs/dbraw/zinc/01/00/88/711010088.db2.gz OLVNYZGNIZAYNJ-UHFFFAOYSA-N 1 0 243.441 3.678 20 0 BHADRO CSC(C)(C)CC[NH2+][C@@H](C)c1ccsc1 ZINC000385317952 711010395 /nfs/dbraw/zinc/01/03/95/711010395.db2.gz PZHZUVRZLRWYFE-JTQLQIEISA-N 1 0 243.441 3.930 20 0 BHADRO CSC(C)(C)CC[NH2+][C@H](C)c1ccsc1 ZINC000385317953 711009354 /nfs/dbraw/zinc/00/93/54/711009354.db2.gz PZHZUVRZLRWYFE-SNVBAGLBSA-N 1 0 243.441 3.930 20 0 BHADRO CSC(C)(C)CC[NH2+]CCC1=CCCC1 ZINC000385339906 711010887 /nfs/dbraw/zinc/01/08/87/711010887.db2.gz XKAUYBYUZMFKSF-UHFFFAOYSA-N 1 0 227.417 3.608 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C2CC2)cc1 ZINC000385347851 367820955 /nfs/dbraw/zinc/82/09/55/367820955.db2.gz BGSRCJITSHKQKL-HZMVEIRTSA-N 1 0 241.378 3.916 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000385354129 367821504 /nfs/dbraw/zinc/82/15/04/367821504.db2.gz GEZYIRVQIZLNTN-ABXWRUBCSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000385354133 367821621 /nfs/dbraw/zinc/82/16/21/367821621.db2.gz GEZYIRVQIZLNTN-BLYZHGLHSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000385354136 367822136 /nfs/dbraw/zinc/82/21/36/367822136.db2.gz GEZYIRVQIZLNTN-GFJIZPEISA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000385354140 367821861 /nfs/dbraw/zinc/82/18/61/367821861.db2.gz GEZYIRVQIZLNTN-RYSNWHEDSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000385354689 367822347 /nfs/dbraw/zinc/82/23/47/367822347.db2.gz GJWORRJVSWVPMD-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000385361599 367821703 /nfs/dbraw/zinc/82/17/03/367821703.db2.gz GBUUQLITFMFHTG-GFCCVEGCSA-N 1 0 244.382 3.834 20 0 BHADRO CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000385361616 367822585 /nfs/dbraw/zinc/82/25/85/367822585.db2.gz GBUUQLITFMFHTG-LBPRGKRZSA-N 1 0 244.382 3.834 20 0 BHADRO CSCC1CCC([NH2+]CC2CCCC2)CC1 ZINC000385363140 367822397 /nfs/dbraw/zinc/82/23/97/367822397.db2.gz INEAQPGSEKVXHC-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000385364479 367822663 /nfs/dbraw/zinc/82/26/63/367822663.db2.gz IYYLNMUJDPEXAR-HIFPTAJRSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000385364481 367822059 /nfs/dbraw/zinc/82/20/59/367822059.db2.gz IYYLNMUJDPEXAR-PNESKVBLSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000385377254 388574301 /nfs/dbraw/zinc/57/43/01/388574301.db2.gz MTMCCIMUJQYNBK-BPCQOVAHSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000385377259 388574367 /nfs/dbraw/zinc/57/43/67/388574367.db2.gz MTMCCIMUJQYNBK-WXRRBKDZSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385380943 388574269 /nfs/dbraw/zinc/57/42/69/388574269.db2.gz OBUCRYRQOJIGIW-FEPKRQSRSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385380945 388574314 /nfs/dbraw/zinc/57/43/14/388574314.db2.gz OBUCRYRQOJIGIW-IWMBGFJWSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385380946 388574578 /nfs/dbraw/zinc/57/45/78/388574578.db2.gz OBUCRYRQOJIGIW-KBHBFKLGSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385380947 388574704 /nfs/dbraw/zinc/57/47/04/388574704.db2.gz OBUCRYRQOJIGIW-MRFVTOPCSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000385385405 367824672 /nfs/dbraw/zinc/82/46/72/367824672.db2.gz PYOPFCFHHJKZSI-LMWSTFAQSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000385385406 367825086 /nfs/dbraw/zinc/82/50/86/367825086.db2.gz PYOPFCFHHJKZSI-XGNXJENSSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+]C1CCC(CSC)CC1)C1CC1 ZINC000385386807 367824560 /nfs/dbraw/zinc/82/45/60/367824560.db2.gz QVRVWGYHWUEYMN-UBHUBRDASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(CSC)CC1)C1CC1 ZINC000385386808 367825161 /nfs/dbraw/zinc/82/51/61/367825161.db2.gz QVRVWGYHWUEYMN-UXUKBGGZSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+]C2CCCCC2)CC1 ZINC000385396959 352566311 /nfs/dbraw/zinc/56/63/11/352566311.db2.gz UVXALNGYPLSZNY-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CCC1(C[NH2+]C2CCC(CSC)CC2)CC1 ZINC000385400667 367826949 /nfs/dbraw/zinc/82/69/49/367826949.db2.gz DDNSPHQZVVIBHM-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCc1ccc(O)cc1 ZINC000385402882 367826813 /nfs/dbraw/zinc/82/68/13/367826813.db2.gz NLOGGFFYFXTQQX-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCc1ccc(O)cc1 ZINC000385402883 367826806 /nfs/dbraw/zinc/82/68/06/367826806.db2.gz NLOGGFFYFXTQQX-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(CSC)CC1)C(C)C ZINC000385411107 367826613 /nfs/dbraw/zinc/82/66/13/367826613.db2.gz ZCPLLVQNINULOP-JXQTWKCFSA-N 1 0 243.460 3.932 20 0 BHADRO CC[C@H]([NH2+]C1CCC(CSC)CC1)C(C)C ZINC000385411108 367826180 /nfs/dbraw/zinc/82/61/80/367826180.db2.gz ZCPLLVQNINULOP-RUXDESIVSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC1CCC([NH2+]CCCC2CC2)CC1 ZINC000385419590 367827632 /nfs/dbraw/zinc/82/76/32/367827632.db2.gz IZRKVECGYDFOOS-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1CCC([NH2+]C[C@H](C)C2CC2)CC1 ZINC000385424872 358134669 /nfs/dbraw/zinc/13/46/69/358134669.db2.gz LAEAVSYPGQJGCV-DCBWTQNWSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000385424873 358134765 /nfs/dbraw/zinc/13/47/65/358134765.db2.gz LAEAVSYPGQJGCV-LKSINWNRSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000385424913 367827328 /nfs/dbraw/zinc/82/73/28/367827328.db2.gz LBXVAOBDWLQJNB-MOKVOYLWSA-N 1 0 239.428 3.607 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000385424914 367827754 /nfs/dbraw/zinc/82/77/54/367827754.db2.gz LBXVAOBDWLQJNB-ROKHWSDSSA-N 1 0 239.428 3.607 20 0 BHADRO CSCC1CCC([NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000385427566 342790329 /nfs/dbraw/zinc/79/03/29/342790329.db2.gz MCQUPJVSXZZJHI-CPCZMJQVSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1CCC([NH2+]C[C@H]2CC2(C)C)CC1 ZINC000385427569 342790412 /nfs/dbraw/zinc/79/04/12/342790412.db2.gz MCQUPJVSXZZJHI-OTTFEQOBSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1CCC([NH2+]CCC2CCC2)CC1 ZINC000385434914 711013398 /nfs/dbraw/zinc/01/33/98/711013398.db2.gz OOYYABZAOWMRTG-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](CCC(C)C)C2CC2)n1 ZINC000385448189 367828693 /nfs/dbraw/zinc/82/86/93/367828693.db2.gz XHWYPHINXQCLKL-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H](CCC(C)C)C2CC2)n1 ZINC000385448209 367829634 /nfs/dbraw/zinc/82/96/34/367829634.db2.gz XHWYPHINXQCLKL-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO COc1ccccc1C[NH2+]CCC(C)(C)C1CC1 ZINC000385520879 367840235 /nfs/dbraw/zinc/84/02/35/367840235.db2.gz PISUEACDXAETGB-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CC(C)(CC[NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000385535425 367842107 /nfs/dbraw/zinc/84/21/07/367842107.db2.gz SGUGNBMNTSFPTQ-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccc(F)c1F ZINC000385541885 367842361 /nfs/dbraw/zinc/84/23/61/367842361.db2.gz DUVHBACJHMITAX-AVWBDOJWSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccc(F)c1F ZINC000385541893 367842585 /nfs/dbraw/zinc/84/25/85/367842585.db2.gz DUVHBACJHMITAX-KEPMVKOISA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccc(F)c1F ZINC000385541899 367842490 /nfs/dbraw/zinc/84/24/90/367842490.db2.gz DUVHBACJHMITAX-MPXOCVNLSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccc(F)c1F ZINC000385541905 367842688 /nfs/dbraw/zinc/84/26/88/367842688.db2.gz DUVHBACJHMITAX-ORXSELOVSA-N 1 0 239.309 3.660 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000385613817 367847230 /nfs/dbraw/zinc/84/72/30/367847230.db2.gz OHMHOVLEOQGPJT-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000385613818 367847402 /nfs/dbraw/zinc/84/74/02/367847402.db2.gz OHMHOVLEOQGPJT-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000385613819 367847292 /nfs/dbraw/zinc/84/72/92/367847292.db2.gz OHMHOVLEOQGPJT-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000385613820 367846936 /nfs/dbraw/zinc/84/69/36/367846936.db2.gz OHMHOVLEOQGPJT-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H]1C ZINC000385626337 367847782 /nfs/dbraw/zinc/84/77/82/367847782.db2.gz JUCIVDUYVVLYGO-BREBYQMCSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000385626341 367848897 /nfs/dbraw/zinc/84/88/97/367848897.db2.gz JUCIVDUYVVLYGO-GBIKHYSHSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H]1C ZINC000385626344 367847743 /nfs/dbraw/zinc/84/77/43/367847743.db2.gz JUCIVDUYVVLYGO-GIPNMCIBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000385626347 367847713 /nfs/dbraw/zinc/84/77/13/367847713.db2.gz JUCIVDUYVVLYGO-NRUUGDAUSA-N 1 0 239.309 3.758 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000385657365 367853669 /nfs/dbraw/zinc/85/36/69/367853669.db2.gz BQRIQIBZFUJMSZ-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000385657370 367853233 /nfs/dbraw/zinc/85/32/33/367853233.db2.gz BQRIQIBZFUJMSZ-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccccc32)[C@H]1C ZINC000385676336 398186039 /nfs/dbraw/zinc/18/60/39/398186039.db2.gz QJUQVZQYELMJAX-FDRIWYBQSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccccc32)[C@@H]1C ZINC000385676337 398186305 /nfs/dbraw/zinc/18/63/05/398186305.db2.gz QJUQVZQYELMJAX-FIXIBIHLSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccccc32)[C@@H]1C ZINC000385676338 398186459 /nfs/dbraw/zinc/18/64/59/398186459.db2.gz QJUQVZQYELMJAX-HKCMKHECSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccccc32)[C@H]1C ZINC000385676339 398186202 /nfs/dbraw/zinc/18/62/02/398186202.db2.gz QJUQVZQYELMJAX-PKIAMQTDSA-N 1 0 247.407 3.609 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000385685003 367854262 /nfs/dbraw/zinc/85/42/62/367854262.db2.gz RKOZBXFNWLXURK-DVOMOZLQSA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000385685005 367855067 /nfs/dbraw/zinc/85/50/67/367855067.db2.gz RKOZBXFNWLXURK-HEHGZKQESA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000385685006 367854545 /nfs/dbraw/zinc/85/45/45/367854545.db2.gz RKOZBXFNWLXURK-WOSRLPQWSA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000385685009 367854867 /nfs/dbraw/zinc/85/48/67/367854867.db2.gz RKOZBXFNWLXURK-XJKCOSOUSA-N 1 0 247.382 3.608 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000385705932 367857634 /nfs/dbraw/zinc/85/76/34/367857634.db2.gz GRGPIDQCJSLTCH-INIZCTEOSA-N 1 0 243.394 3.932 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000385705933 367857190 /nfs/dbraw/zinc/85/71/90/367857190.db2.gz GRGPIDQCJSLTCH-MRXNPFEDSA-N 1 0 243.394 3.932 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000385711932 367857912 /nfs/dbraw/zinc/85/79/12/367857912.db2.gz LCWGAYNXSRCERJ-HNNXBMFYSA-N 1 0 249.398 3.646 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000385711933 367857797 /nfs/dbraw/zinc/85/77/97/367857797.db2.gz LCWGAYNXSRCERJ-OAHLLOKOSA-N 1 0 249.398 3.646 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385716371 367857789 /nfs/dbraw/zinc/85/77/89/367857789.db2.gz WEWIJOGKWFSLNB-GZBFAFLISA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385716373 367857739 /nfs/dbraw/zinc/85/77/39/367857739.db2.gz WEWIJOGKWFSLNB-KCQAQPDRSA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385716375 367857209 /nfs/dbraw/zinc/85/72/09/367857209.db2.gz WEWIJOGKWFSLNB-UMVBOHGHSA-N 1 0 247.382 3.608 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385716377 367857550 /nfs/dbraw/zinc/85/75/50/367857550.db2.gz WEWIJOGKWFSLNB-VNHYZAJKSA-N 1 0 247.382 3.608 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000385719849 367857588 /nfs/dbraw/zinc/85/75/88/367857588.db2.gz WUYHQWVFUOQHOK-DVOMOZLQSA-N 1 0 247.382 3.610 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000385719850 367857542 /nfs/dbraw/zinc/85/75/42/367857542.db2.gz WUYHQWVFUOQHOK-HEHGZKQESA-N 1 0 247.382 3.610 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000385719852 367857119 /nfs/dbraw/zinc/85/71/19/367857119.db2.gz WUYHQWVFUOQHOK-WOSRLPQWSA-N 1 0 247.382 3.610 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000385719854 367857076 /nfs/dbraw/zinc/85/70/76/367857076.db2.gz WUYHQWVFUOQHOK-XJKCOSOUSA-N 1 0 247.382 3.610 20 0 BHADRO CCC(CC)[NH2+]C1CCC(CSC)CC1 ZINC000385781134 367864701 /nfs/dbraw/zinc/86/47/01/367864701.db2.gz CFEHNOXITBIMAY-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)C1CCCCCC1 ZINC000385811190 367867105 /nfs/dbraw/zinc/86/71/05/367867105.db2.gz XCRSDDJZDXSGHZ-CYBMUJFWSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000385813901 367867257 /nfs/dbraw/zinc/86/72/57/367867257.db2.gz NTTCCKIXRHOUPS-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000385813905 367867533 /nfs/dbraw/zinc/86/75/33/367867533.db2.gz NTTCCKIXRHOUPS-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000385813907 367866757 /nfs/dbraw/zinc/86/67/57/367866757.db2.gz NTTCCKIXRHOUPS-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000385813909 367866710 /nfs/dbraw/zinc/86/67/10/367866710.db2.gz NTTCCKIXRHOUPS-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO CSCC1CCC([NH2+]CCC(C)C)CC1 ZINC000385844528 367869959 /nfs/dbraw/zinc/86/99/59/367869959.db2.gz OJOYVVQWYAYIFO-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385845147 367869579 /nfs/dbraw/zinc/86/95/79/367869579.db2.gz OMZPLJLJRKDTPF-HIFPTAJRSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385845148 367869852 /nfs/dbraw/zinc/86/98/52/367869852.db2.gz OMZPLJLJRKDTPF-PNESKVBLSA-N 1 0 229.433 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000385852070 367869986 /nfs/dbraw/zinc/86/99/86/367869986.db2.gz QCEUTBHENZDFMD-DCBWTQNWSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000385852074 367869823 /nfs/dbraw/zinc/86/98/23/367869823.db2.gz QCEUTBHENZDFMD-LKSINWNRSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H](C)C[NH2+]C1CCC(CSC)CC1 ZINC000385869874 367872533 /nfs/dbraw/zinc/87/25/33/367872533.db2.gz URQMCPGLVHWIFT-HIFPTAJRSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CCC(CSC)CC1 ZINC000385869875 367872587 /nfs/dbraw/zinc/87/25/87/367872587.db2.gz URQMCPGLVHWIFT-PNESKVBLSA-N 1 0 229.433 3.544 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)cs1 ZINC000385871416 367872573 /nfs/dbraw/zinc/87/25/73/367872573.db2.gz UYDXSNIDDGWYKA-MVWJERBFSA-N 1 0 238.400 3.537 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]1C ZINC000385875435 367872631 /nfs/dbraw/zinc/87/26/31/367872631.db2.gz AMLSLLVWORVNOE-GTJNWLRHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]1C ZINC000385875436 367872829 /nfs/dbraw/zinc/87/28/29/367872829.db2.gz AMLSLLVWORVNOE-IGFOULAYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]1C ZINC000385875438 367872738 /nfs/dbraw/zinc/87/27/38/367872738.db2.gz AMLSLLVWORVNOE-PZZFRKRLSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]1C ZINC000385875443 367872459 /nfs/dbraw/zinc/87/24/59/367872459.db2.gz AMLSLLVWORVNOE-SOCLWGNMSA-N 1 0 229.367 3.567 20 0 BHADRO CSCC1CCC([NH2+]CC(C)(C)C)CC1 ZINC000385879704 367873651 /nfs/dbraw/zinc/87/36/51/367873651.db2.gz WWCDHFLNUIOIGL-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000385900709 367879562 /nfs/dbraw/zinc/87/95/62/367879562.db2.gz GBXIJOHQOSBUHV-AWEZNQCLSA-N 1 0 247.382 3.770 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000385900711 367879749 /nfs/dbraw/zinc/87/97/49/367879749.db2.gz GBXIJOHQOSBUHV-CQSZACIVSA-N 1 0 247.382 3.770 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)CC2 ZINC000385906833 398191909 /nfs/dbraw/zinc/19/19/09/398191909.db2.gz HAUHOILYKDPDBL-CZPYZCIJSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)CC2 ZINC000385906834 398191901 /nfs/dbraw/zinc/19/19/01/398191901.db2.gz HAUHOILYKDPDBL-NOXHYTERSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)CC2 ZINC000385906835 398191590 /nfs/dbraw/zinc/19/15/90/398191590.db2.gz HAUHOILYKDPDBL-UAXWRAGISA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)CC2 ZINC000385906837 398191869 /nfs/dbraw/zinc/19/18/69/398191869.db2.gz HAUHOILYKDPDBL-YXAMBPQSSA-N 1 0 229.367 3.616 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385925363 367884797 /nfs/dbraw/zinc/88/47/97/367884797.db2.gz JQHARCPSXHCJQE-OCVGTWLNSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385925366 367884120 /nfs/dbraw/zinc/88/41/20/367884120.db2.gz JQHARCPSXHCJQE-RRCSTGOVSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385925368 367883903 /nfs/dbraw/zinc/88/39/03/367883903.db2.gz JQHARCPSXHCJQE-SJXGUFTOSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385925370 367884133 /nfs/dbraw/zinc/88/41/33/367884133.db2.gz JQHARCPSXHCJQE-WMHQRMGPSA-N 1 0 231.383 3.642 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)nc1 ZINC000385933112 362911020 /nfs/dbraw/zinc/91/10/20/362911020.db2.gz DOIPKTORQUAUKL-UHFFFAOYSA-N 1 0 248.414 3.948 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H]1C ZINC000385951328 367888555 /nfs/dbraw/zinc/88/85/55/367888555.db2.gz MSQGEVCOPAOTOG-BFQNTYOBSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC000385951330 367888750 /nfs/dbraw/zinc/88/87/50/367888750.db2.gz MSQGEVCOPAOTOG-HSMVNMDESA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H]1C ZINC000385951332 367889353 /nfs/dbraw/zinc/88/93/53/367889353.db2.gz MSQGEVCOPAOTOG-WQGACYEGSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC000385951334 367890186 /nfs/dbraw/zinc/89/01/86/367890186.db2.gz MSQGEVCOPAOTOG-XHBSWPGZSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)o1 ZINC000385968870 362918710 /nfs/dbraw/zinc/91/87/10/362918710.db2.gz OXPCWIDYRBJDNL-GGFUIZRSSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)o1 ZINC000385968874 362918528 /nfs/dbraw/zinc/91/85/28/362918528.db2.gz OXPCWIDYRBJDNL-KLKTVBQGSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)o1 ZINC000385968878 362918813 /nfs/dbraw/zinc/91/88/13/362918813.db2.gz OXPCWIDYRBJDNL-QPKSUZNQSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)o1 ZINC000385968881 362918988 /nfs/dbraw/zinc/91/89/88/362918988.db2.gz OXPCWIDYRBJDNL-SSYGJKRZSA-N 1 0 233.355 3.537 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000385985046 367892666 /nfs/dbraw/zinc/89/26/66/367892666.db2.gz OSKGUMSVPNWLAU-OYNZBZHQSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000385985047 367892656 /nfs/dbraw/zinc/89/26/56/367892656.db2.gz OSKGUMSVPNWLAU-YOENINGUSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385988703 367893764 /nfs/dbraw/zinc/89/37/64/367893764.db2.gz QYXFVBIWXARBEG-FIXISWKDSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385988708 367894401 /nfs/dbraw/zinc/89/44/01/367894401.db2.gz QYXFVBIWXARBEG-JRPNMDOOSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385988710 367894551 /nfs/dbraw/zinc/89/45/51/367894551.db2.gz QYXFVBIWXARBEG-UEKVPHQBSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385988711 367894707 /nfs/dbraw/zinc/89/47/07/367894707.db2.gz QYXFVBIWXARBEG-ZIBATOQPSA-N 1 0 243.350 3.875 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1C[C@@H](C)c2ccccc21)OC ZINC000385990868 367893694 /nfs/dbraw/zinc/89/36/94/367893694.db2.gz PTZLCRRZJSXDBT-IOASZLSFSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1C[C@H](C)c2ccccc21)OC ZINC000385990870 367894203 /nfs/dbraw/zinc/89/42/03/367894203.db2.gz PTZLCRRZJSXDBT-WOSRLPQWSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2ccccc21)OC ZINC000385990871 367894648 /nfs/dbraw/zinc/89/46/48/367894648.db2.gz PTZLCRRZJSXDBT-XJKCOSOUSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1C[C@H](C)c2ccccc21)OC ZINC000385990872 367894701 /nfs/dbraw/zinc/89/47/01/367894701.db2.gz PTZLCRRZJSXDBT-ZENOOKHLSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000385993698 711478704 /nfs/dbraw/zinc/47/87/04/711478704.db2.gz QGVYLUQOEQDOCI-AWEZNQCLSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000385993700 711478913 /nfs/dbraw/zinc/47/89/13/711478913.db2.gz QGVYLUQOEQDOCI-CQSZACIVSA-N 1 0 249.402 3.524 20 0 BHADRO CO[C@@H](C[NH2+]CCCCC(C)C)c1ccccc1 ZINC000385995225 711020704 /nfs/dbraw/zinc/02/07/04/711020704.db2.gz QNSDWUFMYBZTPD-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CO[C@H](C[NH2+]CCCCC(C)C)c1ccccc1 ZINC000385995226 711021090 /nfs/dbraw/zinc/02/10/90/711021090.db2.gz QNSDWUFMYBZTPD-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1C)OC ZINC000386013734 367896684 /nfs/dbraw/zinc/89/66/84/367896684.db2.gz VIERXJJCHBYGTD-INIZCTEOSA-N 1 0 249.398 3.517 20 0 BHADRO CCC[C@H](C[NH2+]Cc1cc(C)c(C)cc1C)OC ZINC000386013735 367897618 /nfs/dbraw/zinc/89/76/18/367897618.db2.gz VIERXJJCHBYGTD-MRXNPFEDSA-N 1 0 249.398 3.517 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC000386031869 367900379 /nfs/dbraw/zinc/90/03/79/367900379.db2.gz XGMLAWGEDACREZ-GYSYKLTISA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC000386031870 367900358 /nfs/dbraw/zinc/90/03/58/367900358.db2.gz XGMLAWGEDACREZ-JTNHKYCSSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]1C ZINC000386031871 367900324 /nfs/dbraw/zinc/90/03/24/367900324.db2.gz XGMLAWGEDACREZ-SUNKGSAMSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@H]1C ZINC000386031872 367900637 /nfs/dbraw/zinc/90/06/37/367900637.db2.gz XGMLAWGEDACREZ-UHIISALHSA-N 1 0 229.323 3.567 20 0 BHADRO CO[C@H](C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000386098266 367911026 /nfs/dbraw/zinc/91/10/26/367911026.db2.gz QPGBNIZVDOEUDA-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000386098267 367911456 /nfs/dbraw/zinc/91/14/56/367911456.db2.gz QPGBNIZVDOEUDA-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000386098268 367910813 /nfs/dbraw/zinc/91/08/13/367910813.db2.gz QPGBNIZVDOEUDA-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000386098269 367911177 /nfs/dbraw/zinc/91/11/77/367911177.db2.gz QPGBNIZVDOEUDA-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cncc(F)c1 ZINC000386106357 367912413 /nfs/dbraw/zinc/91/24/13/367912413.db2.gz JJKQPGWHSXBRKL-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cncc(F)c1 ZINC000386106358 367912854 /nfs/dbraw/zinc/91/28/54/367912854.db2.gz JJKQPGWHSXBRKL-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1)OC ZINC000386116830 367913881 /nfs/dbraw/zinc/91/38/81/367913881.db2.gz VIHRLMVKLIUBEL-GDBMZVCRSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1)OC ZINC000386116831 367914070 /nfs/dbraw/zinc/91/40/70/367914070.db2.gz VIHRLMVKLIUBEL-GOEBONIOSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1)OC ZINC000386116832 367914924 /nfs/dbraw/zinc/91/49/24/367914924.db2.gz VIHRLMVKLIUBEL-HOCLYGCPSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1)OC ZINC000386116834 367914696 /nfs/dbraw/zinc/91/46/96/367914696.db2.gz VIHRLMVKLIUBEL-ZBFHGGJFSA-N 1 0 249.398 3.769 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CCC)c1ccccc1)OC ZINC000386118687 367914852 /nfs/dbraw/zinc/91/48/52/367914852.db2.gz VRUYLPMRNRVYAC-CVEARBPZSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CCC)c1ccccc1)OC ZINC000386118690 367914472 /nfs/dbraw/zinc/91/44/72/367914472.db2.gz VRUYLPMRNRVYAC-HOTGVXAUSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CCC)c1ccccc1)OC ZINC000386118692 367914333 /nfs/dbraw/zinc/91/43/33/367914333.db2.gz VRUYLPMRNRVYAC-HZPDHXFCSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](CCC)OC)c1ccccc1 ZINC000386118694 367914311 /nfs/dbraw/zinc/91/43/11/367914311.db2.gz VRUYLPMRNRVYAC-JKSUJKDBSA-N 1 0 249.398 3.933 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccc(C)c(C)c1)OC ZINC000386141194 367919985 /nfs/dbraw/zinc/91/99/85/367919985.db2.gz NPYSDDBXLKGAJB-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000386145790 367920002 /nfs/dbraw/zinc/92/00/02/367920002.db2.gz RUNNMADLPPYKPA-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000386145791 367919969 /nfs/dbraw/zinc/91/99/69/367919969.db2.gz RUNNMADLPPYKPA-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000386145793 342929861 /nfs/dbraw/zinc/92/98/61/342929861.db2.gz RUNNMADLPPYKPA-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000386145794 342929804 /nfs/dbraw/zinc/92/98/04/342929804.db2.gz RUNNMADLPPYKPA-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2CCCCC2)nc1 ZINC000386151202 367921314 /nfs/dbraw/zinc/92/13/14/367921314.db2.gz CQSQREYVDGKHGZ-CYBMUJFWSA-N 1 0 246.398 3.702 20 0 BHADRO CCOCC(C)(C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000386157053 367920723 /nfs/dbraw/zinc/92/07/23/367920723.db2.gz DSLJFUZDHSGXBC-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CCC(C)(C)C)CCO1 ZINC000386197331 367927123 /nfs/dbraw/zinc/92/71/23/367927123.db2.gz FGHQUHRRQHASBN-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CCC(C)(C)C)CCO1 ZINC000386197333 367926765 /nfs/dbraw/zinc/92/67/65/367926765.db2.gz FGHQUHRRQHASBN-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)CCO1 ZINC000386197334 367927402 /nfs/dbraw/zinc/92/74/02/367927402.db2.gz FGHQUHRRQHASBN-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CCC(C)(C)C)CCO1 ZINC000386197335 367927892 /nfs/dbraw/zinc/92/78/92/367927892.db2.gz FGHQUHRRQHASBN-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000386220092 367932293 /nfs/dbraw/zinc/93/22/93/367932293.db2.gz IGSJUFHLTDTIDK-CHWSQXEVSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000386220093 367932802 /nfs/dbraw/zinc/93/28/02/367932802.db2.gz IGSJUFHLTDTIDK-OLZOCXBDSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000386220095 367932726 /nfs/dbraw/zinc/93/27/26/367932726.db2.gz IGSJUFHLTDTIDK-QWHCGFSZSA-N 1 0 243.435 3.994 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000386220097 367932684 /nfs/dbraw/zinc/93/26/84/367932684.db2.gz IGSJUFHLTDTIDK-STQMWFEESA-N 1 0 243.435 3.994 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc2ccsc21 ZINC000386243878 487918549 /nfs/dbraw/zinc/91/85/49/487918549.db2.gz ZAMAYRZVTBOFBM-JTQLQIEISA-N 1 0 219.353 3.789 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc2ccsc21 ZINC000386243879 487839089 /nfs/dbraw/zinc/83/90/89/487839089.db2.gz ZAMAYRZVTBOFBM-SNVBAGLBSA-N 1 0 219.353 3.789 20 0 BHADRO COC1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000386251621 367939307 /nfs/dbraw/zinc/93/93/07/367939307.db2.gz LDUMUVPPNMUABF-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO COC1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000386251622 367939509 /nfs/dbraw/zinc/93/95/09/367939509.db2.gz LDUMUVPPNMUABF-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC000386259800 367940905 /nfs/dbraw/zinc/94/09/05/367940905.db2.gz UVXDOVSUNRVXOH-INIZCTEOSA-N 1 0 249.398 3.571 20 0 BHADRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)cc1)C(C)C ZINC000386259801 367940752 /nfs/dbraw/zinc/94/07/52/367940752.db2.gz UVXDOVSUNRVXOH-MRXNPFEDSA-N 1 0 249.398 3.571 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@H](C)C1CCCCC1 ZINC000386262923 367942456 /nfs/dbraw/zinc/94/24/56/367942456.db2.gz VLWFGAOVEUPCEL-AWEZNQCLSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000386262925 367942567 /nfs/dbraw/zinc/94/25/67/367942567.db2.gz VLWFGAOVEUPCEL-CQSZACIVSA-N 1 0 246.398 3.696 20 0 BHADRO CCOCC(C)(C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000386264800 367942724 /nfs/dbraw/zinc/94/27/24/367942724.db2.gz VZDKASZBPIEGQX-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CC)nc1 ZINC000386269663 367943725 /nfs/dbraw/zinc/94/37/25/367943725.db2.gz WYFFDAFAKZPTNX-GDBMZVCRSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC)nc1 ZINC000386269665 367943432 /nfs/dbraw/zinc/94/34/32/367943432.db2.gz WYFFDAFAKZPTNX-GOEBONIOSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CC)nc1 ZINC000386269667 367943807 /nfs/dbraw/zinc/94/38/07/367943807.db2.gz WYFFDAFAKZPTNX-HOCLYGCPSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC)nc1 ZINC000386269669 367943820 /nfs/dbraw/zinc/94/38/20/367943820.db2.gz WYFFDAFAKZPTNX-ZBFHGGJFSA-N 1 0 246.398 3.702 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000386274089 367943484 /nfs/dbraw/zinc/94/34/84/367943484.db2.gz PMYAACCIMZMPEF-AGIUHOORSA-N 1 0 241.419 3.747 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000386274091 367943775 /nfs/dbraw/zinc/94/37/75/367943775.db2.gz PMYAACCIMZMPEF-FQUUOJAGSA-N 1 0 241.419 3.747 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000386274094 367943791 /nfs/dbraw/zinc/94/37/91/367943791.db2.gz PMYAACCIMZMPEF-JHJVBQTASA-N 1 0 241.419 3.747 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000386274097 367943234 /nfs/dbraw/zinc/94/32/34/367943234.db2.gz PMYAACCIMZMPEF-YIYPIFLZSA-N 1 0 241.419 3.747 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386277976 539013612 /nfs/dbraw/zinc/01/36/12/539013612.db2.gz QHWRJIKBFPRRSF-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386277982 539013527 /nfs/dbraw/zinc/01/35/27/539013527.db2.gz QHWRJIKBFPRRSF-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386277983 539013600 /nfs/dbraw/zinc/01/36/00/539013600.db2.gz QHWRJIKBFPRRSF-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386277984 537835110 /nfs/dbraw/zinc/83/51/10/537835110.db2.gz QHWRJIKBFPRRSF-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(CC)(C[NH2+]Cc1cc(C)ccc1C)OC ZINC000386285534 367946373 /nfs/dbraw/zinc/94/63/73/367946373.db2.gz BPXSNPXGPMOKRV-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO CCc1ccc(C[NH2+]CC(CC)(CC)OC)cc1 ZINC000386286442 367946291 /nfs/dbraw/zinc/94/62/91/367946291.db2.gz BVYNHBNYSVESEB-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000386286710 367945751 /nfs/dbraw/zinc/94/57/51/367945751.db2.gz GEWBCIDZSREIOU-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000386286731 343002159 /nfs/dbraw/zinc/00/21/59/343002159.db2.gz GEWBCIDZSREIOU-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000386313455 367948069 /nfs/dbraw/zinc/94/80/69/367948069.db2.gz XGKDFSUDLIXZJK-AGIUHOORSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000386313457 367948548 /nfs/dbraw/zinc/94/85/48/367948548.db2.gz XGKDFSUDLIXZJK-FRRDWIJNSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000386313458 367948029 /nfs/dbraw/zinc/94/80/29/367948029.db2.gz XGKDFSUDLIXZJK-JHJVBQTASA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000386313461 367948294 /nfs/dbraw/zinc/94/82/94/367948294.db2.gz XGKDFSUDLIXZJK-UPJWGTAASA-N 1 0 249.402 3.693 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000386375046 367958931 /nfs/dbraw/zinc/95/89/31/367958931.db2.gz SGRJPLVSKFTPEQ-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000386375051 367958611 /nfs/dbraw/zinc/95/86/11/367958611.db2.gz SGRJPLVSKFTPEQ-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000386380768 367960321 /nfs/dbraw/zinc/96/03/21/367960321.db2.gz TXDHXHZFZVXESE-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000386380769 367959826 /nfs/dbraw/zinc/95/98/26/367959826.db2.gz TXDHXHZFZVXESE-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]C[C@H](CC)OC)cc1 ZINC000386444548 367974538 /nfs/dbraw/zinc/97/45/38/367974538.db2.gz CCTAKSRMVVRTJA-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]C[C@H](CC)OC)cc1 ZINC000386444551 367974092 /nfs/dbraw/zinc/97/40/92/367974092.db2.gz CCTAKSRMVVRTJA-CJNGLKHVSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+]C[C@@H](CC)OC)cc1 ZINC000386444553 367974036 /nfs/dbraw/zinc/97/40/36/367974036.db2.gz CCTAKSRMVVRTJA-CZUORRHYSA-N 1 0 249.398 3.715 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+]C[C@@H](CC)OC)cc1 ZINC000386444557 367974128 /nfs/dbraw/zinc/97/41/28/367974128.db2.gz CCTAKSRMVVRTJA-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000386446609 362990594 /nfs/dbraw/zinc/99/05/94/362990594.db2.gz QSFYAECYWWUKSK-AWEZNQCLSA-N 1 0 244.382 3.877 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000386446610 362989957 /nfs/dbraw/zinc/98/99/57/362989957.db2.gz QSFYAECYWWUKSK-CQSZACIVSA-N 1 0 244.382 3.877 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000386546643 367990720 /nfs/dbraw/zinc/99/07/20/367990720.db2.gz SLFPCAHQLWKXLS-GFCCVEGCSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000386546644 367990051 /nfs/dbraw/zinc/99/00/51/367990051.db2.gz SLFPCAHQLWKXLS-LBPRGKRZSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1ncccc1C[NH2+]CC1CCC(C)(C)CC1 ZINC000386566317 539013473 /nfs/dbraw/zinc/01/34/73/539013473.db2.gz WLHVLWVBHNNBQL-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CCC(CC)[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000386577870 367995585 /nfs/dbraw/zinc/99/55/85/367995585.db2.gz NSSKOMUTDMZWOG-BBRMVZONSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000386577873 367995141 /nfs/dbraw/zinc/99/51/41/367995141.db2.gz NSSKOMUTDMZWOG-CJNGLKHVSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000386577876 367994819 /nfs/dbraw/zinc/99/48/19/367994819.db2.gz NSSKOMUTDMZWOG-CZUORRHYSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000386577880 367995684 /nfs/dbraw/zinc/99/56/84/367995684.db2.gz NSSKOMUTDMZWOG-XJKSGUPXSA-N 1 0 249.398 3.788 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000386633560 368004870 /nfs/dbraw/zinc/00/48/70/368004870.db2.gz QAKNMLYFJIKSJL-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000386633564 368005172 /nfs/dbraw/zinc/00/51/72/368005172.db2.gz QAKNMLYFJIKSJL-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO CC(C)(C)C(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000386758823 711036097 /nfs/dbraw/zinc/03/60/97/711036097.db2.gz GNNIJLROWUENIN-UHFFFAOYSA-N 1 0 247.386 3.695 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CC2CCC1CC2 ZINC000386803079 368023218 /nfs/dbraw/zinc/02/32/18/368023218.db2.gz MXDVCQIZDKSDFB-USPMSXPRSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000386803086 368023184 /nfs/dbraw/zinc/02/31/84/368023184.db2.gz MXDVCQIZDKSDFB-UWLZSVRSSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000386803088 368022906 /nfs/dbraw/zinc/02/29/06/368022906.db2.gz MXDVCQIZDKSDFB-WLIAPVHPSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CC2CCC1CC2 ZINC000386803089 368023508 /nfs/dbraw/zinc/02/35/08/368023508.db2.gz MXDVCQIZDKSDFB-WOICTCIZSA-N 1 0 247.382 3.769 20 0 BHADRO c1cc2ccc(C[NH2+][C@H]3CC34CCCC4)cc2[nH]1 ZINC000386846443 368027510 /nfs/dbraw/zinc/02/75/10/368027510.db2.gz CAKOPPZMZKPSMO-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2ccc(C[NH2+][C@@H]3CC34CCCC4)cc2[nH]1 ZINC000386846445 368027124 /nfs/dbraw/zinc/02/71/24/368027124.db2.gz CAKOPPZMZKPSMO-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CC12CCCC2 ZINC000386854168 368028541 /nfs/dbraw/zinc/02/85/41/368028541.db2.gz DIHOMDOGXNIVLY-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000386854171 368028743 /nfs/dbraw/zinc/02/87/43/368028743.db2.gz DIHOMDOGXNIVLY-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CC34CCCC4)ccc2[nH]1 ZINC000386855382 368028676 /nfs/dbraw/zinc/02/86/76/368028676.db2.gz DNTBBSFTEQCJHQ-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC34CCCC4)ccc2[nH]1 ZINC000386855523 368028879 /nfs/dbraw/zinc/02/88/79/368028879.db2.gz DNTBBSFTEQCJHQ-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC23CCCCC3)c1 ZINC000386863496 363055300 /nfs/dbraw/zinc/05/53/00/363055300.db2.gz FWQUROPMMBANAC-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1csc(C[NH2+][C@H]2CC23CCCCC3)c1 ZINC000386863497 363054758 /nfs/dbraw/zinc/05/47/58/363054758.db2.gz FWQUROPMMBANAC-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CCCC2 ZINC000386864075 368029896 /nfs/dbraw/zinc/02/98/96/368029896.db2.gz FXOBCCLARDERFI-DOMZBBRYSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386864076 368030204 /nfs/dbraw/zinc/03/02/04/368030204.db2.gz FXOBCCLARDERFI-IUODEOHRSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386864077 368029960 /nfs/dbraw/zinc/02/99/60/368029960.db2.gz FXOBCCLARDERFI-SWLSCSKDSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CCCC2 ZINC000386864078 368030042 /nfs/dbraw/zinc/03/00/42/368030042.db2.gz FXOBCCLARDERFI-WFASDCNBSA-N 1 0 247.357 3.679 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC23CCCCC3)o1 ZINC000386869298 363055209 /nfs/dbraw/zinc/05/52/09/363055209.db2.gz GTDNDGWZMJEXFF-LLVKDONJSA-N 1 0 239.746 3.745 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC23CCCCC3)o1 ZINC000386869300 363055147 /nfs/dbraw/zinc/05/51/47/363055147.db2.gz GTDNDGWZMJEXFF-NSHDSACASA-N 1 0 239.746 3.745 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871253 368030109 /nfs/dbraw/zinc/03/01/09/368030109.db2.gz GZUHHHVNBSTGAX-GXTWGEPZSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871255 368029920 /nfs/dbraw/zinc/02/99/20/368029920.db2.gz GZUHHHVNBSTGAX-JSGCOSHPSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871260 368030103 /nfs/dbraw/zinc/03/01/03/368030103.db2.gz GZUHHHVNBSTGAX-OCCSQVGLSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871264 368029909 /nfs/dbraw/zinc/02/99/09/368029909.db2.gz GZUHHHVNBSTGAX-TZMCWYRMSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386871998 368030067 /nfs/dbraw/zinc/03/00/67/368030067.db2.gz HCEDTRZGVACDNW-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386871999 368030020 /nfs/dbraw/zinc/03/00/20/368030020.db2.gz HCEDTRZGVACDNW-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000386872000 368029927 /nfs/dbraw/zinc/02/99/27/368029927.db2.gz HCEDTRZGVACDNW-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000386872001 368029833 /nfs/dbraw/zinc/02/98/33/368029833.db2.gz HCEDTRZGVACDNW-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386887105 368031724 /nfs/dbraw/zinc/03/17/24/368031724.db2.gz JNHCGNBRQXBCDD-CABCVRRESA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386887107 368031718 /nfs/dbraw/zinc/03/17/18/368031718.db2.gz JNHCGNBRQXBCDD-GJZGRUSLSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386887110 368031518 /nfs/dbraw/zinc/03/15/18/368031518.db2.gz JNHCGNBRQXBCDD-HUUCEWRRSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386887111 368030686 /nfs/dbraw/zinc/03/06/86/368030686.db2.gz JNHCGNBRQXBCDD-LSDHHAIUSA-N 1 0 245.341 3.735 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CC12CCCC2 ZINC000386890929 368031577 /nfs/dbraw/zinc/03/15/77/368031577.db2.gz KEYDWHIIMPOEAM-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC12CCCC2 ZINC000386890930 368030848 /nfs/dbraw/zinc/03/08/48/368030848.db2.gz KEYDWHIIMPOEAM-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12CCCC2 ZINC000386892735 711037913 /nfs/dbraw/zinc/03/79/13/711037913.db2.gz KMWLMLWUGMBNFE-DOMZBBRYSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12CCCC2 ZINC000386892736 711824751 /nfs/dbraw/zinc/82/47/51/711824751.db2.gz KMWLMLWUGMBNFE-IUODEOHRSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC12CCCC2 ZINC000386892738 711824737 /nfs/dbraw/zinc/82/47/37/711824737.db2.gz KMWLMLWUGMBNFE-SWLSCSKDSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC12CCCC2 ZINC000386892739 711824717 /nfs/dbraw/zinc/82/47/17/711824717.db2.gz KMWLMLWUGMBNFE-WFASDCNBSA-N 1 0 247.357 3.679 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)cc1 ZINC000386897001 368032782 /nfs/dbraw/zinc/03/27/82/368032782.db2.gz LFBHZWMADHYTLJ-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000386897003 368032468 /nfs/dbraw/zinc/03/24/68/368032468.db2.gz LFBHZWMADHYTLJ-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000386897005 368033092 /nfs/dbraw/zinc/03/30/92/368033092.db2.gz LFBHZWMADHYTLJ-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)cc1 ZINC000386897006 368032380 /nfs/dbraw/zinc/03/23/80/368032380.db2.gz LFBHZWMADHYTLJ-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000386897011 368032449 /nfs/dbraw/zinc/03/24/49/368032449.db2.gz LFFFFYZCZMFOEN-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000386897014 368032908 /nfs/dbraw/zinc/03/29/08/368032908.db2.gz LFFFFYZCZMFOEN-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000386897015 368033065 /nfs/dbraw/zinc/03/30/65/368033065.db2.gz LFFFFYZCZMFOEN-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000386897016 368032580 /nfs/dbraw/zinc/03/25/80/368032580.db2.gz LFFFFYZCZMFOEN-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386898843 368033113 /nfs/dbraw/zinc/03/31/13/368033113.db2.gz LLOSYBVQIFZMLO-CABCVRRESA-N 1 0 245.341 3.735 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386898845 368032492 /nfs/dbraw/zinc/03/24/92/368032492.db2.gz LLOSYBVQIFZMLO-GJZGRUSLSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386898847 368032740 /nfs/dbraw/zinc/03/27/40/368032740.db2.gz LLOSYBVQIFZMLO-HUUCEWRRSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386898848 368033044 /nfs/dbraw/zinc/03/30/44/368033044.db2.gz LLOSYBVQIFZMLO-LSDHHAIUSA-N 1 0 245.341 3.735 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC23CCCCC3)cs1 ZINC000386899529 363058984 /nfs/dbraw/zinc/05/89/84/363058984.db2.gz LNAZSTRZZJPAMV-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1cc(C[NH2+][C@H]2CC23CCCCC3)cs1 ZINC000386899532 363060032 /nfs/dbraw/zinc/06/00/32/363060032.db2.gz LNAZSTRZZJPAMV-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@H]1CC12CCCC2 ZINC000386903410 368032856 /nfs/dbraw/zinc/03/28/56/368032856.db2.gz MEZGYSRIROCCMD-AJHXJQRKSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@H]1CC12CCCC2 ZINC000386903412 368032148 /nfs/dbraw/zinc/03/21/48/368032148.db2.gz MEZGYSRIROCCMD-PPYMECGQSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CC12CCCC2 ZINC000386903414 368032989 /nfs/dbraw/zinc/03/29/89/368032989.db2.gz MEZGYSRIROCCMD-RZIFZGNASA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CC12CCCC2 ZINC000386903417 368032283 /nfs/dbraw/zinc/03/22/83/368032283.db2.gz MEZGYSRIROCCMD-WUKHSURWSA-N 1 0 227.351 3.622 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386908465 368034194 /nfs/dbraw/zinc/03/41/94/368034194.db2.gz MZXRECPSXZXKBW-CVEARBPZSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386908466 368033926 /nfs/dbraw/zinc/03/39/26/368033926.db2.gz MZXRECPSXZXKBW-HOTGVXAUSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386908467 368033689 /nfs/dbraw/zinc/03/36/89/368033689.db2.gz MZXRECPSXZXKBW-HZPDHXFCSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386908468 368034137 /nfs/dbraw/zinc/03/41/37/368034137.db2.gz MZXRECPSXZXKBW-JKSUJKDBSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CC34CCCC4)C2)cc1 ZINC000386942487 368038129 /nfs/dbraw/zinc/03/81/29/368038129.db2.gz UTTPYOIEJYHGLK-GPANFISMSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC34CCCC4)C2)cc1 ZINC000386942488 368038323 /nfs/dbraw/zinc/03/83/23/368038323.db2.gz UTTPYOIEJYHGLK-UYSNPLJNSA-N 1 0 241.378 3.855 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@H]2CC23CCCC3)[nH]1 ZINC000386943890 368038308 /nfs/dbraw/zinc/03/83/08/368038308.db2.gz VBTCKSNBPOQGQK-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@@H]2CC23CCCC3)[nH]1 ZINC000386943891 368038161 /nfs/dbraw/zinc/03/81/61/368038161.db2.gz VBTCKSNBPOQGQK-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC12CCCC2 ZINC000386946170 368037958 /nfs/dbraw/zinc/03/79/58/368037958.db2.gz VNUCGEFRNHIILP-DOMZBBRYSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC12CCCC2 ZINC000386946171 368038221 /nfs/dbraw/zinc/03/82/21/368038221.db2.gz VNUCGEFRNHIILP-IUODEOHRSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC12CCCC2 ZINC000386946172 368038240 /nfs/dbraw/zinc/03/82/40/368038240.db2.gz VNUCGEFRNHIILP-SWLSCSKDSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC12CCCC2 ZINC000386946173 368038332 /nfs/dbraw/zinc/03/83/32/368038332.db2.gz VNUCGEFRNHIILP-WFASDCNBSA-N 1 0 247.357 3.679 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000386946900 368038304 /nfs/dbraw/zinc/03/83/04/368038304.db2.gz VRBUXBPNFPKUOM-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000386946902 368038189 /nfs/dbraw/zinc/03/81/89/368038189.db2.gz VRBUXBPNFPKUOM-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CC12CCCC2 ZINC000386950347 368037752 /nfs/dbraw/zinc/03/77/52/368037752.db2.gz WNGVJTMVFJECNJ-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC12CCCC2 ZINC000386950348 368038180 /nfs/dbraw/zinc/03/81/80/368038180.db2.gz WNGVJTMVFJECNJ-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000386952876 368037663 /nfs/dbraw/zinc/03/76/63/368037663.db2.gz XBZCFKYIIZPYGX-CVEARBPZSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000386952877 368037691 /nfs/dbraw/zinc/03/76/91/368037691.db2.gz XBZCFKYIIZPYGX-HOTGVXAUSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386952878 368038217 /nfs/dbraw/zinc/03/82/17/368038217.db2.gz XBZCFKYIIZPYGX-HZPDHXFCSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000386952879 368038272 /nfs/dbraw/zinc/03/82/72/368038272.db2.gz XBZCFKYIIZPYGX-JKSUJKDBSA-N 1 0 243.394 3.930 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000386955377 368038116 /nfs/dbraw/zinc/03/81/16/368038116.db2.gz XPLMJDWIQIEUAM-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000386955378 368038122 /nfs/dbraw/zinc/03/81/22/368038122.db2.gz XPLMJDWIQIEUAM-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC23CCCC3)o1 ZINC000386958188 368039792 /nfs/dbraw/zinc/03/97/92/368039792.db2.gz YHLOTWMJKZPUPL-KYOSRNDESA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC23CCCC3)o1 ZINC000386958189 368039574 /nfs/dbraw/zinc/03/95/74/368039574.db2.gz YHLOTWMJKZPUPL-OSAQELSMSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC23CCCC3)o1 ZINC000386958198 368039699 /nfs/dbraw/zinc/03/96/99/368039699.db2.gz YHLOTWMJKZPUPL-UXIGCNINSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC23CCCC3)o1 ZINC000386958199 368039496 /nfs/dbraw/zinc/03/94/96/368039496.db2.gz YHLOTWMJKZPUPL-ZLDLUXBVSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2cccc(C[NH2+][C@H]3CC34CCCC4)c2[nH]1 ZINC000386959672 368039043 /nfs/dbraw/zinc/03/90/43/368039043.db2.gz YQHKOYZGVJUORS-AWEZNQCLSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cccc(C[NH2+][C@@H]3CC34CCCC4)c2[nH]1 ZINC000386959673 368039409 /nfs/dbraw/zinc/03/94/09/368039409.db2.gz YQHKOYZGVJUORS-CQSZACIVSA-N 1 0 240.350 3.590 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000386962495 368039542 /nfs/dbraw/zinc/03/95/42/368039542.db2.gz ZGMWEKPZMQZNDZ-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000386962496 368038996 /nfs/dbraw/zinc/03/89/96/368038996.db2.gz ZGMWEKPZMQZNDZ-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000386962497 368039244 /nfs/dbraw/zinc/03/92/44/368039244.db2.gz ZGMWEKPZMQZNDZ-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000386962498 368039489 /nfs/dbraw/zinc/03/94/89/368039489.db2.gz ZGMWEKPZMQZNDZ-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000386963763 368039720 /nfs/dbraw/zinc/03/97/20/368039720.db2.gz ZNMKSSWIFKTIPB-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000386963765 368039458 /nfs/dbraw/zinc/03/94/58/368039458.db2.gz ZNMKSSWIFKTIPB-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000386963766 368039843 /nfs/dbraw/zinc/03/98/43/368039843.db2.gz ZNMKSSWIFKTIPB-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000386963768 368039253 /nfs/dbraw/zinc/03/92/53/368039253.db2.gz ZNMKSSWIFKTIPB-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386969891 368039654 /nfs/dbraw/zinc/03/96/54/368039654.db2.gz BHLIYWZUVNYNEV-GXTWGEPZSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386969912 368039223 /nfs/dbraw/zinc/03/92/23/368039223.db2.gz BHLIYWZUVNYNEV-JSGCOSHPSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000386969915 368039748 /nfs/dbraw/zinc/03/97/48/368039748.db2.gz BHLIYWZUVNYNEV-OCCSQVGLSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000386969919 368039785 /nfs/dbraw/zinc/03/97/85/368039785.db2.gz BHLIYWZUVNYNEV-TZMCWYRMSA-N 1 0 231.339 3.579 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000386971619 368039447 /nfs/dbraw/zinc/03/94/47/368039447.db2.gz BQWGKOWXJJJSIW-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000386971621 368039804 /nfs/dbraw/zinc/03/98/04/368039804.db2.gz BQWGKOWXJJJSIW-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC12CCCC2 ZINC000386995371 368041112 /nfs/dbraw/zinc/04/11/12/368041112.db2.gz HBCQVMGQDZLTIA-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000386995376 368040618 /nfs/dbraw/zinc/04/06/18/368040618.db2.gz HBCQVMGQDZLTIA-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000387001847 368040966 /nfs/dbraw/zinc/04/09/66/368040966.db2.gz MDRVHGBPOKEEEC-AWEZNQCLSA-N 1 0 247.407 3.831 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000387001848 368040918 /nfs/dbraw/zinc/04/09/18/368040918.db2.gz MDRVHGBPOKEEEC-CQSZACIVSA-N 1 0 247.407 3.831 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC23CCCC3)c1C ZINC000387002557 368040931 /nfs/dbraw/zinc/04/09/31/368040931.db2.gz IXKVMZCVTKDHOF-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC23CCCC3)c1C ZINC000387002559 368040851 /nfs/dbraw/zinc/04/08/51/368040851.db2.gz IXKVMZCVTKDHOF-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000387015594 368041599 /nfs/dbraw/zinc/04/15/99/368041599.db2.gz LMYWHBIZGPTARR-DZGCQCFKSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000387015598 368041932 /nfs/dbraw/zinc/04/19/32/368041932.db2.gz LMYWHBIZGPTARR-HIFRSBDPSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000387015600 368041994 /nfs/dbraw/zinc/04/19/94/368041994.db2.gz LMYWHBIZGPTARR-UKRRQHHQSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000387015602 368041699 /nfs/dbraw/zinc/04/16/99/368041699.db2.gz LMYWHBIZGPTARR-ZFWWWQNUSA-N 1 0 229.367 3.712 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1C ZINC000387019417 368042545 /nfs/dbraw/zinc/04/25/45/368042545.db2.gz MESYEUKVFJEOSK-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1C ZINC000387019423 368042507 /nfs/dbraw/zinc/04/25/07/368042507.db2.gz MESYEUKVFJEOSK-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000387058495 368046677 /nfs/dbraw/zinc/04/66/77/368046677.db2.gz VNGNBBQLAPZVRF-CABCVRRESA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000387058501 368046147 /nfs/dbraw/zinc/04/61/47/368046147.db2.gz VNGNBBQLAPZVRF-GJZGRUSLSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000387058506 368046371 /nfs/dbraw/zinc/04/63/71/368046371.db2.gz VNGNBBQLAPZVRF-HUUCEWRRSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000387058511 368045684 /nfs/dbraw/zinc/04/56/84/368045684.db2.gz VNGNBBQLAPZVRF-LSDHHAIUSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000387059990 368046325 /nfs/dbraw/zinc/04/63/25/368046325.db2.gz VUBKTBPODLIESC-DZGCQCFKSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000387059997 368045793 /nfs/dbraw/zinc/04/57/93/368045793.db2.gz VUBKTBPODLIESC-HIFRSBDPSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000387059998 368046120 /nfs/dbraw/zinc/04/61/20/368046120.db2.gz VUBKTBPODLIESC-UKRRQHHQSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000387059999 368045819 /nfs/dbraw/zinc/04/58/19/368045819.db2.gz VUBKTBPODLIESC-ZFWWWQNUSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000387065532 368045730 /nfs/dbraw/zinc/04/57/30/368045730.db2.gz XHKFRRZITATFNX-DZGCQCFKSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)cc1 ZINC000387065535 368045934 /nfs/dbraw/zinc/04/59/34/368045934.db2.gz XHKFRRZITATFNX-HIFRSBDPSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000387065538 368045839 /nfs/dbraw/zinc/04/58/39/368045839.db2.gz XHKFRRZITATFNX-UKRRQHHQSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)cc1 ZINC000387065540 368046162 /nfs/dbraw/zinc/04/61/62/368046162.db2.gz XHKFRRZITATFNX-ZFWWWQNUSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000387072112 368047397 /nfs/dbraw/zinc/04/73/97/368047397.db2.gz YVWOMFYGFGHASP-DZGCQCFKSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000387072117 368047387 /nfs/dbraw/zinc/04/73/87/368047387.db2.gz YVWOMFYGFGHASP-HIFRSBDPSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000387072123 368047380 /nfs/dbraw/zinc/04/73/80/368047380.db2.gz YVWOMFYGFGHASP-UKRRQHHQSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000387072125 368047280 /nfs/dbraw/zinc/04/72/80/368047280.db2.gz YVWOMFYGFGHASP-ZFWWWQNUSA-N 1 0 229.367 3.978 20 0 BHADRO C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000387095637 368050195 /nfs/dbraw/zinc/05/01/95/368050195.db2.gz DUEYFYDWKZJIQM-ILXRZTDVSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000387095641 368050260 /nfs/dbraw/zinc/05/02/60/368050260.db2.gz DUEYFYDWKZJIQM-KKUMJFAQSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000387095644 368050424 /nfs/dbraw/zinc/05/04/24/368050424.db2.gz DUEYFYDWKZJIQM-QLFBSQMISA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000387095648 368050322 /nfs/dbraw/zinc/05/03/22/368050322.db2.gz DUEYFYDWKZJIQM-SOUVJXGZSA-N 1 0 233.399 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1F ZINC000387225866 368117635 /nfs/dbraw/zinc/11/76/35/368117635.db2.gz HTLCZNADDMBSNC-BXUZGUMPSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1F ZINC000387225868 368117527 /nfs/dbraw/zinc/11/75/27/368117527.db2.gz HTLCZNADDMBSNC-FZMZJTMJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1F ZINC000387225873 368117490 /nfs/dbraw/zinc/11/74/90/368117490.db2.gz HTLCZNADDMBSNC-RISCZKNCSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1F ZINC000387225875 368117368 /nfs/dbraw/zinc/11/73/68/368117368.db2.gz HTLCZNADDMBSNC-SMDDNHRTSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC12CCCC2 ZINC000387254248 363565317 /nfs/dbraw/zinc/56/53/17/363565317.db2.gz KMNZIQXMJLSXAJ-GXTWGEPZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CC12CCCC2 ZINC000387254249 363564980 /nfs/dbraw/zinc/56/49/80/363564980.db2.gz KMNZIQXMJLSXAJ-JSGCOSHPSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CC12CCCC2 ZINC000387254250 363565181 /nfs/dbraw/zinc/56/51/81/363565181.db2.gz KMNZIQXMJLSXAJ-OCCSQVGLSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC12CCCC2 ZINC000387254251 363565652 /nfs/dbraw/zinc/56/56/52/363565652.db2.gz KMNZIQXMJLSXAJ-TZMCWYRMSA-N 1 0 233.355 3.523 20 0 BHADRO C1[C@H]([NH2+]C(C2CCC2)C2CCC2)C12CCCC2 ZINC000387262099 368137856 /nfs/dbraw/zinc/13/78/56/368137856.db2.gz LGPPRRPHWBFPAN-AWEZNQCLSA-N 1 0 233.399 3.878 20 0 BHADRO C1[C@@H]([NH2+]C(C2CCC2)C2CCC2)C12CCCC2 ZINC000387262100 368137215 /nfs/dbraw/zinc/13/72/15/368137215.db2.gz LGPPRRPHWBFPAN-CQSZACIVSA-N 1 0 233.399 3.878 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CC12CCCC2 ZINC000387302209 368145271 /nfs/dbraw/zinc/14/52/71/368145271.db2.gz PBIXPOQELCRFET-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000387302257 368145955 /nfs/dbraw/zinc/14/59/55/368145955.db2.gz PBIXPOQELCRFET-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC23CCCC3)ccc1F ZINC000387349732 368158557 /nfs/dbraw/zinc/15/85/57/368158557.db2.gz VCQFYQPVVOWOJH-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC23CCCC3)ccc1F ZINC000387349734 368158445 /nfs/dbraw/zinc/15/84/45/368158445.db2.gz VCQFYQPVVOWOJH-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000387359128 368160553 /nfs/dbraw/zinc/16/05/53/368160553.db2.gz WDUWJWWLQRKLKL-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000387359138 368160029 /nfs/dbraw/zinc/16/00/29/368160029.db2.gz WDUWJWWLQRKLKL-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000387367426 368161204 /nfs/dbraw/zinc/16/12/04/368161204.db2.gz XALQKVZJSJRBOK-BXUZGUMPSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000387367438 368161300 /nfs/dbraw/zinc/16/13/00/368161300.db2.gz XALQKVZJSJRBOK-FZMZJTMJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000387367441 368162129 /nfs/dbraw/zinc/16/21/29/368162129.db2.gz XALQKVZJSJRBOK-RISCZKNCSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000387367442 368161758 /nfs/dbraw/zinc/16/17/58/368161758.db2.gz XALQKVZJSJRBOK-SMDDNHRTSA-N 1 0 233.330 3.809 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000387372282 368163409 /nfs/dbraw/zinc/16/34/09/368163409.db2.gz XRSRYPOONCMBSE-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000387372283 368163197 /nfs/dbraw/zinc/16/31/97/368163197.db2.gz XRSRYPOONCMBSE-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCCO1)C1CCCC1 ZINC000387387885 343211035 /nfs/dbraw/zinc/21/10/35/343211035.db2.gz AHWDBPCREBDNBJ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CCCC1 ZINC000387387886 343211014 /nfs/dbraw/zinc/21/10/14/343211014.db2.gz AHWDBPCREBDNBJ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CCCC1 ZINC000387387887 343210982 /nfs/dbraw/zinc/21/09/82/343210982.db2.gz AHWDBPCREBDNBJ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CCCC1 ZINC000387388533 368164707 /nfs/dbraw/zinc/16/47/07/368164707.db2.gz AHWDBPCREBDNBJ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CCOC)C1CCCC1 ZINC000387399904 368168494 /nfs/dbraw/zinc/16/84/94/368168494.db2.gz AJPQMWUPWSFHOU-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CCOC)C1CCCC1 ZINC000387399906 368168217 /nfs/dbraw/zinc/16/82/17/368168217.db2.gz AJPQMWUPWSFHOU-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC1CCSCC1)C1CCCC1 ZINC000387457054 368205404 /nfs/dbraw/zinc/20/54/04/368205404.db2.gz ACIKHPSRYXQNEX-AWEZNQCLSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]CC1CCSCC1)C1CCCC1 ZINC000387457055 368205679 /nfs/dbraw/zinc/20/56/79/368205679.db2.gz ACIKHPSRYXQNEX-CQSZACIVSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccs1)C1CCCC1 ZINC000387457417 368205072 /nfs/dbraw/zinc/20/50/72/368205072.db2.gz ADZNVSZWADOWIB-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccs1)C1CCCC1 ZINC000387457418 368204856 /nfs/dbraw/zinc/20/48/56/368204856.db2.gz ADZNVSZWADOWIB-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccs1)C1CCCC1 ZINC000387457421 368205000 /nfs/dbraw/zinc/20/50/00/368205000.db2.gz ADZNVSZWADOWIB-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nccs1)C1CCCC1 ZINC000387457422 368205149 /nfs/dbraw/zinc/20/51/49/368205149.db2.gz ADZNVSZWADOWIB-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC000387494873 342984443 /nfs/dbraw/zinc/98/44/43/342984443.db2.gz DTKNTHBZPWDEIU-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC000387494875 342984452 /nfs/dbraw/zinc/98/44/52/342984452.db2.gz DTKNTHBZPWDEIU-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccco1)C1CCCC1 ZINC000387499837 343079846 /nfs/dbraw/zinc/07/98/46/343079846.db2.gz FYEZUUPLERNPOP-AAEUAGOBSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccco1)C1CCCC1 ZINC000387499840 343079914 /nfs/dbraw/zinc/07/99/14/343079914.db2.gz FYEZUUPLERNPOP-DGCLKSJQSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccco1)C1CCCC1 ZINC000387499842 343079901 /nfs/dbraw/zinc/07/99/01/343079901.db2.gz FYEZUUPLERNPOP-WCQYABFASA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccco1)C1CCCC1 ZINC000387499850 343079900 /nfs/dbraw/zinc/07/99/00/343079900.db2.gz FYEZUUPLERNPOP-YPMHNXCESA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000387506089 343093633 /nfs/dbraw/zinc/09/36/33/343093633.db2.gz HEGYTGBFKFMWTK-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000387506092 343093641 /nfs/dbraw/zinc/09/36/41/343093641.db2.gz HEGYTGBFKFMWTK-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000387506094 343093713 /nfs/dbraw/zinc/09/37/13/343093713.db2.gz HEGYTGBFKFMWTK-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000387506095 343093643 /nfs/dbraw/zinc/09/36/43/343093643.db2.gz HEGYTGBFKFMWTK-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]CCC1(OC)CCC1)C1CCCC1 ZINC000387563921 344890795 /nfs/dbraw/zinc/89/07/95/344890795.db2.gz YTUJRCHHIJCAKY-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC1(OC)CCC1)C1CCCC1 ZINC000387563928 344890822 /nfs/dbraw/zinc/89/08/22/344890822.db2.gz YTUJRCHHIJCAKY-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C1CCCC1 ZINC000387620389 397847209 /nfs/dbraw/zinc/84/72/09/397847209.db2.gz QKVQVXPQGQQWCD-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C1CCCC1 ZINC000387620391 397847199 /nfs/dbraw/zinc/84/71/99/397847199.db2.gz QKVQVXPQGQQWCD-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C1CCCC1 ZINC000387620393 397847201 /nfs/dbraw/zinc/84/72/01/397847201.db2.gz QKVQVXPQGQQWCD-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C1CCCC1 ZINC000387620422 397847894 /nfs/dbraw/zinc/84/78/94/397847894.db2.gz QKVQVXPQGQQWCD-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)C1CCCC1 ZINC000387638331 346980612 /nfs/dbraw/zinc/98/06/12/346980612.db2.gz HPWBORHOWMLKHG-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)C1CCCC1 ZINC000387638334 346980178 /nfs/dbraw/zinc/98/01/78/346980178.db2.gz HPWBORHOWMLKHG-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C1CCCC1 ZINC000387638337 346980579 /nfs/dbraw/zinc/98/05/79/346980579.db2.gz HPWBORHOWMLKHG-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)C1CCCC1 ZINC000387638339 346980271 /nfs/dbraw/zinc/98/02/71/346980271.db2.gz HPWBORHOWMLKHG-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)s1)C1CCCC1 ZINC000387640235 346982984 /nfs/dbraw/zinc/98/29/84/346982984.db2.gz HZUPGRJVBJAFFN-CYBMUJFWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)s1)C1CCCC1 ZINC000387640244 346983156 /nfs/dbraw/zinc/98/31/56/346983156.db2.gz HZUPGRJVBJAFFN-ZDUSSCGKSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]([NH2+]Cc1scnc1C)C1CCCC1 ZINC000387643263 346984515 /nfs/dbraw/zinc/98/45/15/346984515.db2.gz IRXWHXXKKNTXGH-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1scnc1C)C1CCCC1 ZINC000387643264 346984863 /nfs/dbraw/zinc/98/48/63/346984863.db2.gz IRXWHXXKKNTXGH-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000387645278 346983955 /nfs/dbraw/zinc/98/39/55/346983955.db2.gz BYUISEHVFHKGDH-YPMHNXCESA-N 1 0 239.309 3.760 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000387647164 397853016 /nfs/dbraw/zinc/85/30/16/397853016.db2.gz JQKAUTXBPIXLMF-NEPJUHHUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000387647166 397853000 /nfs/dbraw/zinc/85/30/00/397853000.db2.gz JQKAUTXBPIXLMF-NWDGAFQWSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000387647168 397853075 /nfs/dbraw/zinc/85/30/75/397853075.db2.gz JQKAUTXBPIXLMF-RYUDHWBXSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000387647171 397852991 /nfs/dbraw/zinc/85/29/91/397852991.db2.gz JQKAUTXBPIXLMF-VXGBXAGGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C)cs1)C1CCCC1 ZINC000387647673 346987321 /nfs/dbraw/zinc/98/73/21/346987321.db2.gz JUQOTFSZCXEISH-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C)cs1)C1CCCC1 ZINC000387647675 346987202 /nfs/dbraw/zinc/98/72/02/346987202.db2.gz JUQOTFSZCXEISH-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000387657739 346990852 /nfs/dbraw/zinc/99/08/52/346990852.db2.gz GMWNIPRGBIPXIP-QKEWWQLBSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1sccc1C ZINC000387667717 346996720 /nfs/dbraw/zinc/99/67/20/346996720.db2.gz JCJDMCVKFXCBMB-TUAOUCFPSA-N 1 0 223.385 3.753 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1sccc1C ZINC000387667718 346997165 /nfs/dbraw/zinc/99/71/65/346997165.db2.gz JCJDMCVKFXCBMB-UTUOFQBUSA-N 1 0 223.385 3.753 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncc(C)s1)C1CCCC1 ZINC000387672739 347002466 /nfs/dbraw/zinc/00/24/66/347002466.db2.gz QGIYMWXPJZQQIZ-GFCCVEGCSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1ncc(C)s1)C1CCCC1 ZINC000387672744 347002572 /nfs/dbraw/zinc/00/25/72/347002572.db2.gz QGIYMWXPJZQQIZ-LBPRGKRZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)C1CCCC1 ZINC000387685962 347013562 /nfs/dbraw/zinc/01/35/62/347013562.db2.gz UCOCXWRAWKNPGK-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1)C1CCCC1 ZINC000387685965 347014106 /nfs/dbraw/zinc/01/41/06/347014106.db2.gz UCOCXWRAWKNPGK-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)C1CCCC1 ZINC000387685968 347013951 /nfs/dbraw/zinc/01/39/51/347013951.db2.gz UCOCXWRAWKNPGK-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)C1CCCC1 ZINC000387685992 347014142 /nfs/dbraw/zinc/01/41/42/347014142.db2.gz UCOCXWRAWKNPGK-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+]Cc1csc(C)n1)C1CCCC1 ZINC000387698096 347025391 /nfs/dbraw/zinc/02/53/91/347025391.db2.gz WPEMNOYMUPWPDB-CYBMUJFWSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1csc(C)n1)C1CCCC1 ZINC000387698097 347025173 /nfs/dbraw/zinc/02/51/73/347025173.db2.gz WPEMNOYMUPWPDB-ZDUSSCGKSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C1CCCC1 ZINC000387713814 347036223 /nfs/dbraw/zinc/03/62/23/347036223.db2.gz ZJFLOAIPEQCBQG-GXTWGEPZSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)C1CCCC1 ZINC000387713817 347036051 /nfs/dbraw/zinc/03/60/51/347036051.db2.gz ZJFLOAIPEQCBQG-JSGCOSHPSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)C1CCCC1 ZINC000387713819 347036144 /nfs/dbraw/zinc/03/61/44/347036144.db2.gz ZJFLOAIPEQCBQG-OCCSQVGLSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)C1CCCC1 ZINC000387713822 347036203 /nfs/dbraw/zinc/03/62/03/347036203.db2.gz ZJFLOAIPEQCBQG-TZMCWYRMSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000387720601 347042670 /nfs/dbraw/zinc/04/26/70/347042670.db2.gz OZRXYIVGWAASPK-KXNHARMFSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000387720604 347042801 /nfs/dbraw/zinc/04/28/01/347042801.db2.gz OZRXYIVGWAASPK-NOOOWODRSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000387720607 347042970 /nfs/dbraw/zinc/04/29/70/347042970.db2.gz OZRXYIVGWAASPK-RHYQMDGZSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000387720613 347042489 /nfs/dbraw/zinc/04/24/89/347042489.db2.gz OZRXYIVGWAASPK-WRWGMCAJSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000387783161 347082804 /nfs/dbraw/zinc/08/28/04/347082804.db2.gz DTEMWBZKIWCGSY-KJGRBHLASA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000387797102 347090240 /nfs/dbraw/zinc/09/02/40/347090240.db2.gz HMDUHDLWRWMXFF-LOWVWBTDSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000387797103 347090169 /nfs/dbraw/zinc/09/01/69/347090169.db2.gz HMDUHDLWRWMXFF-WZRBSPASSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000387815910 347097796 /nfs/dbraw/zinc/09/77/96/347097796.db2.gz LCMSNJRLQJNTAA-ZIHBUVQPSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000387828481 347099671 /nfs/dbraw/zinc/09/96/71/347099671.db2.gz NSQGHOFMSYRNLD-LOWVWBTDSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000387828484 347099691 /nfs/dbraw/zinc/09/96/91/347099691.db2.gz NSQGHOFMSYRNLD-WZRBSPASSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000387833592 347103582 /nfs/dbraw/zinc/10/35/82/347103582.db2.gz OUIJMUOHJVRXEP-BDAKNGLRSA-N 1 0 229.776 3.537 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(C)oc1C ZINC000387838595 347105552 /nfs/dbraw/zinc/10/55/52/347105552.db2.gz PSKYMORAPIEZQW-RTXFEEFZSA-N 1 0 221.344 3.593 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000387838599 347105387 /nfs/dbraw/zinc/10/53/87/347105387.db2.gz PSKYMORAPIEZQW-UHTWSYAYSA-N 1 0 221.344 3.593 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1sccc1Cl ZINC000387847761 347109672 /nfs/dbraw/zinc/10/96/72/347109672.db2.gz RFXCIIJIAZEDCT-BDAKNGLRSA-N 1 0 229.776 3.537 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000387876029 347116644 /nfs/dbraw/zinc/11/66/44/347116644.db2.gz WGQNFPGVCYFFQD-BDAKNGLRSA-N 1 0 229.776 3.537 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000387898558 347123406 /nfs/dbraw/zinc/12/34/06/347123406.db2.gz ZNKWBEQLOPCZAJ-KJGRBHLASA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000387992436 711049636 /nfs/dbraw/zinc/04/96/36/711049636.db2.gz KPMQGALYGHTFNN-OSMZGAPFSA-N 1 0 235.396 3.835 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000387992691 711049732 /nfs/dbraw/zinc/04/97/32/711049732.db2.gz KPMQGALYGHTFNN-SCDSUCTJSA-N 1 0 235.396 3.835 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000388023200 347156909 /nfs/dbraw/zinc/15/69/09/347156909.db2.gz OTWMQMCRRUPWJP-TUAOUCFPSA-N 1 0 223.385 3.753 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000388023205 347156895 /nfs/dbraw/zinc/15/68/95/347156895.db2.gz OTWMQMCRRUPWJP-UTUOFQBUSA-N 1 0 223.385 3.753 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC000388035376 347160855 /nfs/dbraw/zinc/16/08/55/347160855.db2.gz QEKDGKGQHUOEDF-TUAOUCFPSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC000388035379 347160908 /nfs/dbraw/zinc/16/09/08/347160908.db2.gz QEKDGKGQHUOEDF-UTUOFQBUSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000388046861 347164695 /nfs/dbraw/zinc/16/46/95/347164695.db2.gz RMKIPEHHYFXGSC-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000388046867 347164644 /nfs/dbraw/zinc/16/46/44/347164644.db2.gz RMKIPEHHYFXGSC-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000388112365 347193495 /nfs/dbraw/zinc/19/34/95/347193495.db2.gz YRXSMPOVMBQPIU-DKNRTOFZSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000388260919 347273747 /nfs/dbraw/zinc/27/37/47/347273747.db2.gz UVHIVDWJPRBPDE-SMOPSLFNSA-N 1 0 229.367 3.568 20 0 BHADRO CO[C@@H]([C@@H](C)[NH2+]C1CCCCCCC1)C1CC1 ZINC000388292119 711057579 /nfs/dbraw/zinc/05/75/79/711057579.db2.gz WYVTWRINIQXVQJ-DOMZBBRYSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]([C@@H](C)[NH2+]C1CCCCCCC1)C1CC1 ZINC000388292120 711057130 /nfs/dbraw/zinc/05/71/30/711057130.db2.gz WYVTWRINIQXVQJ-IUODEOHRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]([C@H](C)[NH2+]C1CCCCCCC1)C1CC1 ZINC000388292122 711057343 /nfs/dbraw/zinc/05/73/43/711057343.db2.gz WYVTWRINIQXVQJ-SWLSCSKDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]([C@H](C)[NH2+]C1CCCCCCC1)C1CC1 ZINC000388292124 711056950 /nfs/dbraw/zinc/05/69/50/711056950.db2.gz WYVTWRINIQXVQJ-WFASDCNBSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[N@H+](C/C=C\Cl)C(C)C ZINC000388332073 711058712 /nfs/dbraw/zinc/05/87/12/711058712.db2.gz FSNMEEUWIAQGKF-FPLPWBNLSA-N 1 0 203.757 3.640 20 0 BHADRO CCC[N@H+](CC)Cc1cc(Cl)cs1 ZINC000388345817 347341506 /nfs/dbraw/zinc/34/15/06/347341506.db2.gz MCHZZZIUQOHCRX-UHFFFAOYSA-N 1 0 217.765 3.633 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1ccccc1 ZINC000388353077 347350988 /nfs/dbraw/zinc/35/09/88/347350988.db2.gz PGNAXSIXIIXQCA-KCXAZCMYSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1ccccc1 ZINC000388353080 347350984 /nfs/dbraw/zinc/35/09/84/347350984.db2.gz PGNAXSIXIIXQCA-RCBQFDQVSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1ccccc1 ZINC000388353083 347350801 /nfs/dbraw/zinc/35/08/01/347350801.db2.gz PGNAXSIXIIXQCA-UHOFOFEASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1ccccc1 ZINC000388353085 347350685 /nfs/dbraw/zinc/35/06/85/347350685.db2.gz PGNAXSIXIIXQCA-VBNZEHGJSA-N 1 0 247.382 3.541 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000388377358 385353719 /nfs/dbraw/zinc/35/37/19/385353719.db2.gz DSQWVAHOZUPFEI-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000388377359 385353791 /nfs/dbraw/zinc/35/37/91/385353791.db2.gz DSQWVAHOZUPFEI-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000388377360 385353609 /nfs/dbraw/zinc/35/36/09/385353609.db2.gz DSQWVAHOZUPFEI-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000388377361 385353887 /nfs/dbraw/zinc/35/38/87/385353887.db2.gz DSQWVAHOZUPFEI-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000388380195 347374737 /nfs/dbraw/zinc/37/47/37/347374737.db2.gz MGZFRHJICWVDFL-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000388380197 347374295 /nfs/dbraw/zinc/37/42/95/347374295.db2.gz MGZFRHJICWVDFL-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000388381060 488043337 /nfs/dbraw/zinc/04/33/37/488043337.db2.gz OZUOQJZYUUDPNA-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000388381062 488042990 /nfs/dbraw/zinc/04/29/90/488042990.db2.gz OZUOQJZYUUDPNA-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000388381063 488043340 /nfs/dbraw/zinc/04/33/40/488043340.db2.gz OZUOQJZYUUDPNA-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000388381064 488043401 /nfs/dbraw/zinc/04/34/01/488043401.db2.gz OZUOQJZYUUDPNA-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388407910 347389465 /nfs/dbraw/zinc/38/94/65/347389465.db2.gz AFBFHRPVHFGMAI-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388407912 347389702 /nfs/dbraw/zinc/38/97/02/347389702.db2.gz AFBFHRPVHFGMAI-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388407914 347389734 /nfs/dbraw/zinc/38/97/34/347389734.db2.gz AFBFHRPVHFGMAI-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388407916 347389709 /nfs/dbraw/zinc/38/97/09/347389709.db2.gz AFBFHRPVHFGMAI-YJNKXOJESA-N 1 0 241.419 3.606 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388448040 711061454 /nfs/dbraw/zinc/06/14/54/711061454.db2.gz IGKBNBOYKUTMCI-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388448041 711060994 /nfs/dbraw/zinc/06/09/94/711060994.db2.gz IGKBNBOYKUTMCI-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388448043 711880473 /nfs/dbraw/zinc/88/04/73/711880473.db2.gz IGKBNBOYKUTMCI-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388448044 711880527 /nfs/dbraw/zinc/88/05/27/711880527.db2.gz IGKBNBOYKUTMCI-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@H]1CCCOC1 ZINC000388472114 711882872 /nfs/dbraw/zinc/88/28/72/711882872.db2.gz MEBWXXLYFGEJNV-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@H]1CCCOC1 ZINC000388472116 711883019 /nfs/dbraw/zinc/88/30/19/711883019.db2.gz MEBWXXLYFGEJNV-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@@H]1CCCOC1 ZINC000388472118 711883185 /nfs/dbraw/zinc/88/31/85/711883185.db2.gz MEBWXXLYFGEJNV-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@@H]1CCCOC1 ZINC000388472120 711883130 /nfs/dbraw/zinc/88/31/30/711883130.db2.gz MEBWXXLYFGEJNV-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388484791 347428128 /nfs/dbraw/zinc/42/81/28/347428128.db2.gz PCTFBMXJTQBGEW-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388484806 347428163 /nfs/dbraw/zinc/42/81/63/347428163.db2.gz PCTFBMXJTQBGEW-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388484809 347428209 /nfs/dbraw/zinc/42/82/09/347428209.db2.gz PCTFBMXJTQBGEW-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388484812 347428289 /nfs/dbraw/zinc/42/82/89/347428289.db2.gz PCTFBMXJTQBGEW-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000388580250 349197870 /nfs/dbraw/zinc/19/78/70/349197870.db2.gz DSCHZEXGYLICLW-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000388580252 349198123 /nfs/dbraw/zinc/19/81/23/349198123.db2.gz DSCHZEXGYLICLW-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000388580254 349198070 /nfs/dbraw/zinc/19/80/70/349198070.db2.gz DSCHZEXGYLICLW-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000388580255 349198036 /nfs/dbraw/zinc/19/80/36/349198036.db2.gz DSCHZEXGYLICLW-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000388581906 349190556 /nfs/dbraw/zinc/19/05/56/349190556.db2.gz FLJBIXYVTOJIPT-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000388581907 349190260 /nfs/dbraw/zinc/19/02/60/349190260.db2.gz FLJBIXYVTOJIPT-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000388581908 349190565 /nfs/dbraw/zinc/19/05/65/349190565.db2.gz FLJBIXYVTOJIPT-XQQFMLRXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000388581909 349190166 /nfs/dbraw/zinc/19/01/66/349190166.db2.gz FLJBIXYVTOJIPT-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000388586629 349199594 /nfs/dbraw/zinc/19/95/94/349199594.db2.gz ILXCWHBWKFGWQL-LWALAHDXSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000388586630 349199851 /nfs/dbraw/zinc/19/98/51/349199851.db2.gz ILXCWHBWKFGWQL-SELBCVKXSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000388586631 349200119 /nfs/dbraw/zinc/20/01/19/349200119.db2.gz ILXCWHBWKFGWQL-XKQHDHNFSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000388586632 349199749 /nfs/dbraw/zinc/19/97/49/349199749.db2.gz ILXCWHBWKFGWQL-ZHANPKHBSA-N 1 0 229.367 3.868 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000388597315 539015140 /nfs/dbraw/zinc/01/51/40/539015140.db2.gz OSPYOSZZLTXXIJ-GWCFXTLKSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000388597317 539015172 /nfs/dbraw/zinc/01/51/72/539015172.db2.gz OSPYOSZZLTXXIJ-GXFFZTMASA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000388597319 539015218 /nfs/dbraw/zinc/01/52/18/539015218.db2.gz OSPYOSZZLTXXIJ-MFKMUULPSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000388597320 539014890 /nfs/dbraw/zinc/01/48/90/539014890.db2.gz OSPYOSZZLTXXIJ-ZWNOBZJWSA-N 1 0 239.309 3.633 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000388597518 711063504 /nfs/dbraw/zinc/06/35/04/711063504.db2.gz DIXUDMFRRXQJLN-MRVPVSSYSA-N 1 0 217.765 3.536 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cscc1Cl ZINC000388597519 711063957 /nfs/dbraw/zinc/06/39/57/711063957.db2.gz DIXUDMFRRXQJLN-QMMMGPOBSA-N 1 0 217.765 3.536 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](OC)c1ccccc1 ZINC000388600790 349250989 /nfs/dbraw/zinc/25/09/89/349250989.db2.gz RFVNISQZNAYHSZ-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](OC)c1ccccc1 ZINC000388600791 349251298 /nfs/dbraw/zinc/25/12/98/349251298.db2.gz RFVNISQZNAYHSZ-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](OC)c1ccccc1 ZINC000388600793 349251112 /nfs/dbraw/zinc/25/11/12/349251112.db2.gz RFVNISQZNAYHSZ-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OC)c1ccccc1 ZINC000388600794 349251406 /nfs/dbraw/zinc/25/14/06/349251406.db2.gz RFVNISQZNAYHSZ-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000388604119 539015131 /nfs/dbraw/zinc/01/51/31/539015131.db2.gz UOSTVLRLLRZOBM-BPLDGKMQSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000388604120 539014943 /nfs/dbraw/zinc/01/49/43/539014943.db2.gz UOSTVLRLLRZOBM-SNPRPXQTSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000388604122 539015138 /nfs/dbraw/zinc/01/51/38/539015138.db2.gz UOSTVLRLLRZOBM-VHDGCEQUSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000388604124 539015275 /nfs/dbraw/zinc/01/52/75/539015275.db2.gz UOSTVLRLLRZOBM-YUELXQCFSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C/C(Cl)=C\Cl ZINC000388616499 711063790 /nfs/dbraw/zinc/06/37/90/711063790.db2.gz CYQVDPAKTGFAMC-CMWXKVOJSA-N 1 0 224.175 3.673 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C/C(Cl)=C/Cl ZINC000388616501 711063916 /nfs/dbraw/zinc/06/39/16/711063916.db2.gz CYQVDPAKTGFAMC-LKJZUNMESA-N 1 0 224.175 3.673 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)C/C(Cl)=C/Cl ZINC000388616502 711064014 /nfs/dbraw/zinc/06/40/14/711064014.db2.gz CYQVDPAKTGFAMC-WPVMNKCKSA-N 1 0 224.175 3.673 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)C/C(Cl)=C\Cl ZINC000388616504 711063626 /nfs/dbraw/zinc/06/36/26/711063626.db2.gz CYQVDPAKTGFAMC-ZFZMKPAXSA-N 1 0 224.175 3.673 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cscc1Cl ZINC000388617606 539015052 /nfs/dbraw/zinc/01/50/52/539015052.db2.gz BEDIAAWYVJJFEZ-UHFFFAOYSA-N 1 0 217.765 3.680 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cscc1Cl ZINC000388619680 711063809 /nfs/dbraw/zinc/06/38/09/711063809.db2.gz GQXJZWBYGQCUPJ-UHFFFAOYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000388657200 350293550 /nfs/dbraw/zinc/29/35/50/350293550.db2.gz UGYHLBZBIXOIKW-LURJTMIESA-N 1 0 238.183 3.943 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000388657203 350293444 /nfs/dbraw/zinc/29/34/44/350293444.db2.gz UGYHLBZBIXOIKW-ZCFIWIBFSA-N 1 0 238.183 3.943 20 0 BHADRO CCC(CC)(CC)[NH2+]CCSC(C)C ZINC000388684516 344702430 /nfs/dbraw/zinc/70/24/30/344702430.db2.gz KDBGMYFJTKHEPF-UHFFFAOYSA-N 1 0 217.422 3.686 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000388686708 344714594 /nfs/dbraw/zinc/71/45/94/344714594.db2.gz JELGTQGYXNXHFY-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000388686711 344714642 /nfs/dbraw/zinc/71/46/42/344714642.db2.gz JELGTQGYXNXHFY-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000388687371 344715851 /nfs/dbraw/zinc/71/58/51/344715851.db2.gz JELGTQGYXNXHFY-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000388687372 344716038 /nfs/dbraw/zinc/71/60/38/344716038.db2.gz JELGTQGYXNXHFY-YJNKXOJESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1sccc1Cl ZINC000388708798 346920267 /nfs/dbraw/zinc/92/02/67/346920267.db2.gz QJTYVSRVPRLGGB-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000388714709 346985960 /nfs/dbraw/zinc/98/59/60/346985960.db2.gz QMPREODAFNYUGD-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1CC ZINC000388714712 346986090 /nfs/dbraw/zinc/98/60/90/346986090.db2.gz QMPREODAFNYUGD-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CC ZINC000388714716 346986426 /nfs/dbraw/zinc/98/64/26/346986426.db2.gz QMPREODAFNYUGD-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CC ZINC000388714719 346987289 /nfs/dbraw/zinc/98/72/89/346987289.db2.gz QMPREODAFNYUGD-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000388729500 350829140 /nfs/dbraw/zinc/82/91/40/350829140.db2.gz UVOOOZGTDVFBTA-CVEARBPZSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000388729515 350829144 /nfs/dbraw/zinc/82/91/44/350829144.db2.gz UVOOOZGTDVFBTA-HOTGVXAUSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000388729516 350829072 /nfs/dbraw/zinc/82/90/72/350829072.db2.gz UVOOOZGTDVFBTA-HZPDHXFCSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000388729518 350829148 /nfs/dbraw/zinc/82/91/48/350829148.db2.gz UVOOOZGTDVFBTA-JKSUJKDBSA-N 1 0 247.382 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000388740099 539015066 /nfs/dbraw/zinc/01/50/66/539015066.db2.gz JDPARQDAWOUQJW-SECBINFHSA-N 1 0 229.414 3.748 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000388740103 539014979 /nfs/dbraw/zinc/01/49/79/539014979.db2.gz JDPARQDAWOUQJW-VIFPVBQESA-N 1 0 229.414 3.748 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000388747564 351559638 /nfs/dbraw/zinc/55/96/38/351559638.db2.gz ZHYIPCLETBMLPC-CABCVRRESA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000388747565 351559645 /nfs/dbraw/zinc/55/96/45/351559645.db2.gz ZHYIPCLETBMLPC-GJZGRUSLSA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000388747566 351559449 /nfs/dbraw/zinc/55/94/49/351559449.db2.gz ZHYIPCLETBMLPC-HUUCEWRRSA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000388747567 351559413 /nfs/dbraw/zinc/55/94/13/351559413.db2.gz ZHYIPCLETBMLPC-LSDHHAIUSA-N 1 0 247.382 3.677 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000388767195 352555820 /nfs/dbraw/zinc/55/58/20/352555820.db2.gz TVAMLPNZFMFFEV-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000388767196 352555817 /nfs/dbraw/zinc/55/58/17/352555817.db2.gz TVAMLPNZFMFFEV-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000388767197 352555671 /nfs/dbraw/zinc/55/56/71/352555671.db2.gz TVAMLPNZFMFFEV-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000388767198 352555777 /nfs/dbraw/zinc/55/57/77/352555777.db2.gz TVAMLPNZFMFFEV-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000388806005 398223020 /nfs/dbraw/zinc/22/30/20/398223020.db2.gz ZWGIIZTWMADIJU-GXTWGEPZSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000388806007 353274201 /nfs/dbraw/zinc/27/42/01/353274201.db2.gz ZWGIIZTWMADIJU-JSGCOSHPSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000388806008 353274213 /nfs/dbraw/zinc/27/42/13/353274213.db2.gz ZWGIIZTWMADIJU-OCCSQVGLSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1cccc(O)c1 ZINC000388806010 353274555 /nfs/dbraw/zinc/27/45/55/353274555.db2.gz ZWGIIZTWMADIJU-TZMCWYRMSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000388822305 711069580 /nfs/dbraw/zinc/06/95/80/711069580.db2.gz UJNNOIOBPHOZKP-HZAKCSEPSA-N 1 0 222.159 3.570 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000388822306 711068925 /nfs/dbraw/zinc/06/89/25/711068925.db2.gz UJNNOIOBPHOZKP-YIXGCBLDSA-N 1 0 222.159 3.570 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1sccc1Cl ZINC000388835488 353676760 /nfs/dbraw/zinc/67/67/60/353676760.db2.gz VMZBKASSJCFZGX-BDAKNGLRSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000388835489 353676922 /nfs/dbraw/zinc/67/69/22/353676922.db2.gz VMZBKASSJCFZGX-DTWKUNHWSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1sccc1Cl ZINC000388835490 353677063 /nfs/dbraw/zinc/67/70/63/353677063.db2.gz VMZBKASSJCFZGX-IUCAKERBSA-N 1 0 231.792 3.926 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000388835491 353677042 /nfs/dbraw/zinc/67/70/42/353677042.db2.gz VMZBKASSJCFZGX-RKDXNWHRSA-N 1 0 231.792 3.926 20 0 BHADRO C[C@H](C[NH2+]Cc1sccc1Cl)C1CC1 ZINC000388835493 539015707 /nfs/dbraw/zinc/01/57/07/539015707.db2.gz VNCYUVRBRKUTJP-MRVPVSSYSA-N 1 0 229.776 3.537 20 0 BHADRO C[C@@H](C[NH2+]Cc1sccc1Cl)C1CC1 ZINC000388835494 539015736 /nfs/dbraw/zinc/01/57/36/539015736.db2.gz VNCYUVRBRKUTJP-QMMMGPOBSA-N 1 0 229.776 3.537 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000388840888 711069347 /nfs/dbraw/zinc/06/93/47/711069347.db2.gz VTGOGMHBGCJYGR-SECBINFHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC(CC)(CC)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000388840891 711068984 /nfs/dbraw/zinc/06/89/84/711068984.db2.gz VTGOGMHBGCJYGR-VIFPVBQESA-N 1 0 238.202 3.739 20 0 BHADRO CCC[N@@H+](C/C(Cl)=C/Cl)CC(C)C ZINC000388844040 711068842 /nfs/dbraw/zinc/06/88/42/711068842.db2.gz ZBJUOPJMBFXQAN-POHAHGRESA-N 1 0 224.175 3.673 20 0 BHADRO CCC[N@@H+](C/C(Cl)=C\Cl)CC(C)C ZINC000388844043 711069279 /nfs/dbraw/zinc/06/92/79/711069279.db2.gz ZBJUOPJMBFXQAN-UXBLZVDNSA-N 1 0 224.175 3.673 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000388855629 355301283 /nfs/dbraw/zinc/30/12/83/355301283.db2.gz CKJBUZGXDXQQRB-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000388855633 355301778 /nfs/dbraw/zinc/30/17/78/355301778.db2.gz CKJBUZGXDXQQRB-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000388855640 355301968 /nfs/dbraw/zinc/30/19/68/355301968.db2.gz CKJBUZGXDXQQRB-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000388855644 355302004 /nfs/dbraw/zinc/30/20/04/355302004.db2.gz CKJBUZGXDXQQRB-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000388858628 355302723 /nfs/dbraw/zinc/30/27/23/355302723.db2.gz DFPOBVQHRRPURM-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000388858634 355302433 /nfs/dbraw/zinc/30/24/33/355302433.db2.gz DFPOBVQHRRPURM-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000388858637 355302388 /nfs/dbraw/zinc/30/23/88/355302388.db2.gz DFPOBVQHRRPURM-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000388858638 355302601 /nfs/dbraw/zinc/30/26/01/355302601.db2.gz DFPOBVQHRRPURM-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccsc1Cl ZINC000388883085 539015453 /nfs/dbraw/zinc/01/54/53/539015453.db2.gz JPSSUHJRYPHUFB-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000388886890 355319513 /nfs/dbraw/zinc/31/95/13/355319513.db2.gz KQBLNKGGYTWWNW-DZKIICNBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000388886893 355319455 /nfs/dbraw/zinc/31/94/55/355319455.db2.gz KQBLNKGGYTWWNW-FMKPAKJESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000388886898 355319811 /nfs/dbraw/zinc/31/98/11/355319811.db2.gz KQBLNKGGYTWWNW-LZWOXQAQSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000388886900 355319968 /nfs/dbraw/zinc/31/99/68/355319968.db2.gz KQBLNKGGYTWWNW-YCPHGPKFSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000388902957 711070601 /nfs/dbraw/zinc/07/06/01/711070601.db2.gz WOGMFWDEQDMWPO-GHMZBOCLSA-N 1 0 217.422 3.685 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000388902958 711070733 /nfs/dbraw/zinc/07/07/33/711070733.db2.gz WOGMFWDEQDMWPO-MNOVXSKESA-N 1 0 217.422 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000388902959 711070719 /nfs/dbraw/zinc/07/07/19/711070719.db2.gz WOGMFWDEQDMWPO-QWRGUYRKSA-N 1 0 217.422 3.685 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000388902960 711070631 /nfs/dbraw/zinc/07/06/31/711070631.db2.gz WOGMFWDEQDMWPO-WDEREUQCSA-N 1 0 217.422 3.685 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000388906821 355333411 /nfs/dbraw/zinc/33/34/11/355333411.db2.gz BIKNHLKHJVDXFU-REWJHTLYSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000388911254 355336124 /nfs/dbraw/zinc/33/61/24/355336124.db2.gz PJDCNLPGUMSQPH-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000388911256 355336105 /nfs/dbraw/zinc/33/61/05/355336105.db2.gz PJDCNLPGUMSQPH-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000388911259 355335655 /nfs/dbraw/zinc/33/56/55/355335655.db2.gz PJDCNLPGUMSQPH-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000388911261 355335631 /nfs/dbraw/zinc/33/56/31/355335631.db2.gz PJDCNLPGUMSQPH-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)C)s1 ZINC000388969630 355382475 /nfs/dbraw/zinc/38/24/75/355382475.db2.gz JLVDVYTVZFSOFN-UHFFFAOYSA-N 1 0 229.414 3.606 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388987432 355388258 /nfs/dbraw/zinc/38/82/58/355388258.db2.gz OVCXNASKRDLVLP-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388987434 355388331 /nfs/dbraw/zinc/38/83/31/355388331.db2.gz OVCXNASKRDLVLP-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388987436 355388157 /nfs/dbraw/zinc/38/81/57/355388157.db2.gz OVCXNASKRDLVLP-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388987437 355387977 /nfs/dbraw/zinc/38/79/77/355387977.db2.gz OVCXNASKRDLVLP-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000388990466 711071917 /nfs/dbraw/zinc/07/19/17/711071917.db2.gz URELVDVPQQMXJL-MRVPVSSYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000388990468 711072449 /nfs/dbraw/zinc/07/24/49/711072449.db2.gz URELVDVPQQMXJL-QMMMGPOBSA-N 1 0 249.832 3.633 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000389160185 583361758 /nfs/dbraw/zinc/36/17/58/583361758.db2.gz UFRRVOANFFGNPD-OMMCCPJFSA-N 1 0 209.358 3.592 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(C)sc1C ZINC000389160186 583361847 /nfs/dbraw/zinc/36/18/47/583361847.db2.gz UFRRVOANFFGNPD-WWQCOOJYSA-N 1 0 209.358 3.592 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000389164877 350743764 /nfs/dbraw/zinc/74/37/64/350743764.db2.gz KOCQYBZOVBEWBY-UMBAGQNISA-N 1 0 209.720 3.567 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389201482 355848715 /nfs/dbraw/zinc/84/87/15/355848715.db2.gz DPSNXACINOUJQK-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000389201483 355848387 /nfs/dbraw/zinc/84/83/87/355848387.db2.gz DPSNXACINOUJQK-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000389201484 355848707 /nfs/dbraw/zinc/84/87/07/355848707.db2.gz DPSNXACINOUJQK-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389201485 355848369 /nfs/dbraw/zinc/84/83/69/355848369.db2.gz DPSNXACINOUJQK-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)SCC[NH2+]Cc1cscc1Cl ZINC000389214952 343569268 /nfs/dbraw/zinc/56/92/68/343569268.db2.gz KALBMHIBRYOPCI-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CCSC ZINC000389223711 343593776 /nfs/dbraw/zinc/59/37/76/343593776.db2.gz ORPSEPXYMGOEHR-GFCCVEGCSA-N 1 0 217.422 3.546 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CCSC ZINC000389223712 343593758 /nfs/dbraw/zinc/59/37/58/343593758.db2.gz ORPSEPXYMGOEHR-LBPRGKRZSA-N 1 0 217.422 3.546 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cscc1Cl ZINC000389223739 539015771 /nfs/dbraw/zinc/01/57/71/539015771.db2.gz OSKLAPXOPFWEFN-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CCC1([NH2+]CCC2CCCCC2)CCOCC1 ZINC000389243874 355935004 /nfs/dbraw/zinc/93/50/04/355935004.db2.gz DWWVKMPPAWRIGS-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCCCF ZINC000389246342 355933820 /nfs/dbraw/zinc/93/38/20/355933820.db2.gz BCIPRHDHYUPSHO-GFCCVEGCSA-N 1 0 203.345 3.541 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCCCF ZINC000389246366 355934834 /nfs/dbraw/zinc/93/48/34/355934834.db2.gz BCIPRHDHYUPSHO-LBPRGKRZSA-N 1 0 203.345 3.541 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C/C(Cl)=C\Cl ZINC000389260863 711074797 /nfs/dbraw/zinc/07/47/97/711074797.db2.gz HVIYGPYGVWRPNI-BBYBQBAKSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CCC[C@H](C)C1[NH2+]C/C(Cl)=C\Cl ZINC000389260864 711074673 /nfs/dbraw/zinc/07/46/73/711074673.db2.gz HVIYGPYGVWRPNI-ROFNYYBKSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H]1CCC[C@H](C)C1[NH2+]C/C(Cl)=C/Cl ZINC000389260870 711074417 /nfs/dbraw/zinc/07/44/17/711074417.db2.gz HVIYGPYGVWRPNI-RZACTLEQSA-N 1 0 236.186 3.720 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000389271949 355939693 /nfs/dbraw/zinc/93/96/93/355939693.db2.gz MDGNHXAMKVLKBH-SFYZADRCSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000389271951 355939866 /nfs/dbraw/zinc/93/98/66/355939866.db2.gz MDGNHXAMKVLKBH-YUMQZZPRSA-N 1 0 235.755 3.800 20 0 BHADRO CCCCC[C@@H]([NH2+]CCF)C(C)(C)C ZINC000389279690 711074645 /nfs/dbraw/zinc/07/46/45/711074645.db2.gz QYGYTQPPRDLNCT-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO CCCCC[C@H]([NH2+]CCF)C(C)(C)C ZINC000389279691 711074288 /nfs/dbraw/zinc/07/42/88/711074288.db2.gz QYGYTQPPRDLNCT-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000389287818 711075954 /nfs/dbraw/zinc/07/59/54/711075954.db2.gz XAJAADJCVLYJCG-SGLQCISKSA-N 1 0 215.768 3.687 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000389287821 711075352 /nfs/dbraw/zinc/07/53/52/711075352.db2.gz XAJAADJCVLYJCG-UEUGTDCTSA-N 1 0 215.768 3.687 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC000389287823 711076361 /nfs/dbraw/zinc/07/63/61/711076361.db2.gz XAJAADJCVLYJCG-WZFVEOJDSA-N 1 0 215.768 3.687 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC000389287833 711075423 /nfs/dbraw/zinc/07/54/23/711075423.db2.gz XAJAADJCVLYJCG-YRCSQKNFSA-N 1 0 215.768 3.687 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(C)s1 ZINC000389299923 355955090 /nfs/dbraw/zinc/95/50/90/355955090.db2.gz LSFXBBHWHUUANG-UHFFFAOYSA-N 1 0 209.358 3.502 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000389301553 355955095 /nfs/dbraw/zinc/95/50/95/355955095.db2.gz MCUBZMKEGVGAEX-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CCCCCC[NH2+]Cc1ccsc1C ZINC000389326527 712688979 /nfs/dbraw/zinc/68/89/79/712688979.db2.gz TURJWVINZWCAOM-UHFFFAOYSA-N 1 0 211.374 3.726 20 0 BHADRO CC(C)SCC[NH2+]CC1CCCCCC1 ZINC000389327253 355966814 /nfs/dbraw/zinc/96/68/14/355966814.db2.gz GNTKSJXSDGRRIU-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1csc(Cl)n1 ZINC000389328161 712689004 /nfs/dbraw/zinc/68/90/04/712689004.db2.gz HHBRHQLRBCRWNX-SECBINFHSA-N 1 0 246.807 3.665 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1csc(Cl)n1 ZINC000389328167 712689001 /nfs/dbraw/zinc/68/90/01/712689001.db2.gz HHBRHQLRBCRWNX-VIFPVBQESA-N 1 0 246.807 3.665 20 0 BHADRO CC(C)=CC[NH2+]C(C1CCC1)C1CCC1 ZINC000389329757 355967627 /nfs/dbraw/zinc/96/76/27/355967627.db2.gz IHECGGKIGGGUDP-UHFFFAOYSA-N 1 0 207.361 3.511 20 0 BHADRO CCC(C)(C)C1CCC([NH2+]CCF)CC1 ZINC000389335288 355973999 /nfs/dbraw/zinc/97/39/99/355973999.db2.gz NXWPOKNHQPPCGT-UHFFFAOYSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C[Si](C)(C)C ZINC000389343288 711077228 /nfs/dbraw/zinc/07/72/28/711077228.db2.gz ZBIVKIGPFCTLLV-UHFFFAOYSA-N 1 0 215.457 3.668 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccsc1Cl ZINC000389345340 355973319 /nfs/dbraw/zinc/97/33/19/355973319.db2.gz ZRVQKSYIGGUKKK-UHFFFAOYSA-N 1 0 231.792 3.927 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC000389346877 355979427 /nfs/dbraw/zinc/97/94/27/355979427.db2.gz VITFXLKJULQKND-AWEZNQCLSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC000389346879 355978589 /nfs/dbraw/zinc/97/85/89/355978589.db2.gz VITFXLKJULQKND-CQSZACIVSA-N 1 0 209.377 3.591 20 0 BHADRO CCC1([NH2+]CC2CCCCCC2)CCOCC1 ZINC000389352987 355980587 /nfs/dbraw/zinc/98/05/87/355980587.db2.gz VVXDNVGPWQLZBL-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCCC1CCC([NH2+]CCCCF)CC1 ZINC000389355227 355981059 /nfs/dbraw/zinc/98/10/59/355981059.db2.gz AQRNIMKSBUYLJX-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C)C(C)C ZINC000389362220 355983919 /nfs/dbraw/zinc/98/39/19/355983919.db2.gz SRQWTQBLVFINMK-UHFFFAOYSA-N 1 0 211.374 3.581 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(SC)s1 ZINC000389365369 355983592 /nfs/dbraw/zinc/98/35/92/355983592.db2.gz UTYNQVUHGRIILP-UHFFFAOYSA-N 1 0 229.414 3.748 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccccc1 ZINC000389373140 355988856 /nfs/dbraw/zinc/98/88/56/355988856.db2.gz NDZYOCLSAWIAHJ-GFCCVEGCSA-N 1 0 205.345 3.557 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1ccccc1 ZINC000389373141 355989226 /nfs/dbraw/zinc/98/92/26/355989226.db2.gz NDZYOCLSAWIAHJ-LBPRGKRZSA-N 1 0 205.345 3.557 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C/C=C\Cl ZINC000389373356 711077610 /nfs/dbraw/zinc/07/76/10/711077610.db2.gz ZFHQHOQHWUHXTG-HQPPDGJXSA-N 1 0 215.768 3.543 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC000389373359 711077163 /nfs/dbraw/zinc/07/71/63/711077163.db2.gz ZFHQHOQHWUHXTG-PGZRXROLSA-N 1 0 215.768 3.543 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000389383034 355993940 /nfs/dbraw/zinc/99/39/40/355993940.db2.gz RBMSZTHYXRQVSI-FRRDWIJNSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000389383035 355994504 /nfs/dbraw/zinc/99/45/04/355994504.db2.gz RBMSZTHYXRQVSI-JHJVBQTASA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000389383036 355994423 /nfs/dbraw/zinc/99/44/23/355994423.db2.gz RBMSZTHYXRQVSI-RWMBFGLXSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000389383037 355994153 /nfs/dbraw/zinc/99/41/53/355994153.db2.gz RBMSZTHYXRQVSI-YNEHKIRRSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCCCF)[C@H]1C ZINC000389399758 356491320 /nfs/dbraw/zinc/49/13/20/356491320.db2.gz GPWISENZZZVXFP-AGIUHOORSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCCCF)[C@H]1C ZINC000389399760 356491522 /nfs/dbraw/zinc/49/15/22/356491522.db2.gz GPWISENZZZVXFP-FRRDWIJNSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCCCF)[C@@H]1C ZINC000389399762 356491289 /nfs/dbraw/zinc/49/12/89/356491289.db2.gz GPWISENZZZVXFP-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC000389399763 356491163 /nfs/dbraw/zinc/49/11/63/356491163.db2.gz GPWISENZZZVXFP-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]([NH2+]CCSC(C)C)c1cccs1 ZINC000389402120 356490467 /nfs/dbraw/zinc/49/04/67/356490467.db2.gz IKMZPTPDYRCQKX-LLVKDONJSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+]CCSC(C)C)c1cccs1 ZINC000389402123 356490059 /nfs/dbraw/zinc/49/00/59/356490059.db2.gz IKMZPTPDYRCQKX-NSHDSACASA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+]CCCCF)C1CCCCC1 ZINC000389403315 356490799 /nfs/dbraw/zinc/49/07/99/356490799.db2.gz JJNAGZNNXVPTFT-CYBMUJFWSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]([NH2+]CCCCF)C1CCCCC1 ZINC000389403317 356490329 /nfs/dbraw/zinc/49/03/29/356490329.db2.gz JJNAGZNNXVPTFT-ZDUSSCGKSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H](C)CCC(C)(C)C ZINC000389408214 356617692 /nfs/dbraw/zinc/61/76/92/356617692.db2.gz MRPUCWWHXHKXPR-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H](C)CCC(C)(C)C ZINC000389408215 356617729 /nfs/dbraw/zinc/61/77/29/356617729.db2.gz MRPUCWWHXHKXPR-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H](C)CCC(C)(C)C ZINC000389408216 356617910 /nfs/dbraw/zinc/61/79/10/356617910.db2.gz MRPUCWWHXHKXPR-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H](C)CCC(C)(C)C ZINC000389408217 356617566 /nfs/dbraw/zinc/61/75/66/356617566.db2.gz MRPUCWWHXHKXPR-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CC(C)C([NH2+]C[C@@H]1CC=CCC1)C(C)C ZINC000389408732 539016901 /nfs/dbraw/zinc/01/69/01/539016901.db2.gz NARUTIZKIJTWIA-CYBMUJFWSA-N 1 0 209.377 3.613 20 0 BHADRO CC(C)C([NH2+]C[C@H]1CC=CCC1)C(C)C ZINC000389408733 539016746 /nfs/dbraw/zinc/01/67/46/539016746.db2.gz NARUTIZKIJTWIA-ZDUSSCGKSA-N 1 0 209.377 3.613 20 0 BHADRO Cc1cc(C[NH2+]CCSC(C)C)c(C)s1 ZINC000389409560 356640234 /nfs/dbraw/zinc/64/02/34/356640234.db2.gz NWRIRYWDNVUUGR-UHFFFAOYSA-N 1 0 243.441 3.596 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)nc2)CCCCC1 ZINC000389425794 398085755 /nfs/dbraw/zinc/08/57/55/398085755.db2.gz CNTZXLUYACVUMS-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCCS1)C(C)(C)C ZINC000389434909 488096387 /nfs/dbraw/zinc/09/63/87/488096387.db2.gz BQJJVYUSPSJGJA-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCCCS1)C(C)(C)C ZINC000389434910 488096224 /nfs/dbraw/zinc/09/62/24/488096224.db2.gz BQJJVYUSPSJGJA-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCCCS1)C(C)(C)C ZINC000389434911 488096252 /nfs/dbraw/zinc/09/62/52/488096252.db2.gz BQJJVYUSPSJGJA-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCCS1)C(C)(C)C ZINC000389434912 488096174 /nfs/dbraw/zinc/09/61/74/488096174.db2.gz BQJJVYUSPSJGJA-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](N[C@H](C)C(C)(F)F)c1cccs1 ZINC000389435925 356670855 /nfs/dbraw/zinc/67/08/55/356670855.db2.gz COBYTZMISLAJFR-BDAKNGLRSA-N 1 0 233.327 3.833 20 0 BHADRO CC[C@@H](N[C@@H](C)C(C)(F)F)c1cccs1 ZINC000389435927 356670690 /nfs/dbraw/zinc/67/06/90/356670690.db2.gz COBYTZMISLAJFR-DTWKUNHWSA-N 1 0 233.327 3.833 20 0 BHADRO CC[C@H](N[C@@H](C)C(C)(F)F)c1cccs1 ZINC000389435928 356670672 /nfs/dbraw/zinc/67/06/72/356670672.db2.gz COBYTZMISLAJFR-IUCAKERBSA-N 1 0 233.327 3.833 20 0 BHADRO CC[C@@H](N[C@H](C)C(C)(F)F)c1cccs1 ZINC000389435929 356670655 /nfs/dbraw/zinc/67/06/55/356670655.db2.gz COBYTZMISLAJFR-RKDXNWHRSA-N 1 0 233.327 3.833 20 0 BHADRO CCn1cc([C@@H](C)[NH2+]CC2CCCCCC2)cn1 ZINC000389448144 356673337 /nfs/dbraw/zinc/67/33/37/356673337.db2.gz GMFANAPTDLCSGI-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1cc([C@H](C)[NH2+]CC2CCCCCC2)cn1 ZINC000389448147 356673239 /nfs/dbraw/zinc/67/32/39/356673239.db2.gz GMFANAPTDLCSGI-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)n1cncc1C[NH2+]CC1CCCCCC1 ZINC000389455804 356677656 /nfs/dbraw/zinc/67/76/56/356677656.db2.gz IQESSSRGKCLEEV-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCC1([NH2+]Cc2cnccc2C)CCCCC1 ZINC000389465168 356679348 /nfs/dbraw/zinc/67/93/48/356679348.db2.gz KPJJFOFCIZISCT-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)cn2)CCCCC1 ZINC000389467552 356682238 /nfs/dbraw/zinc/68/22/38/356682238.db2.gz LCMABPJVXFBSKA-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(C)(F)F ZINC000389468613 356681900 /nfs/dbraw/zinc/68/19/00/356681900.db2.gz NIISNDZFFDMOQT-NEPJUHHUSA-N 1 0 241.325 3.641 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(C)(F)F ZINC000389468615 356682131 /nfs/dbraw/zinc/68/21/31/356682131.db2.gz NIISNDZFFDMOQT-NWDGAFQWSA-N 1 0 241.325 3.641 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C(C)(F)F ZINC000389468616 356681923 /nfs/dbraw/zinc/68/19/23/356681923.db2.gz NIISNDZFFDMOQT-RYUDHWBXSA-N 1 0 241.325 3.641 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C(C)(F)F ZINC000389468617 356681973 /nfs/dbraw/zinc/68/19/73/356681973.db2.gz NIISNDZFFDMOQT-VXGBXAGGSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(C)(F)F ZINC000389471909 356684036 /nfs/dbraw/zinc/68/40/36/356684036.db2.gz SEDCSAUEUGUZLP-AAEUAGOBSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(C)(F)F ZINC000389471910 356683808 /nfs/dbraw/zinc/68/38/08/356683808.db2.gz SEDCSAUEUGUZLP-DGCLKSJQSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(C)(F)F ZINC000389471911 356683700 /nfs/dbraw/zinc/68/37/00/356683700.db2.gz SEDCSAUEUGUZLP-WCQYABFASA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)(F)F ZINC000389471912 356684338 /nfs/dbraw/zinc/68/43/38/356684338.db2.gz SEDCSAUEUGUZLP-YPMHNXCESA-N 1 0 241.325 3.641 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000389474034 356682167 /nfs/dbraw/zinc/68/21/67/356682167.db2.gz NCJOYLSOLQEWLC-CYBMUJFWSA-N 1 0 245.357 3.982 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000389474035 356682362 /nfs/dbraw/zinc/68/23/62/356682362.db2.gz NCJOYLSOLQEWLC-ZDUSSCGKSA-N 1 0 245.357 3.982 20 0 BHADRO [NH2+]=C(NCC1CCCCCC1)Nc1ccccc1 ZINC000389478472 711080582 /nfs/dbraw/zinc/08/05/82/711080582.db2.gz OTDBFFXTCICFBS-UHFFFAOYSA-N 1 0 245.370 3.593 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478824 356686659 /nfs/dbraw/zinc/68/66/59/356686659.db2.gz COCDPJLNPJUFAZ-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478825 356686839 /nfs/dbraw/zinc/68/68/39/356686839.db2.gz COCDPJLNPJUFAZ-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478826 356687126 /nfs/dbraw/zinc/68/71/26/356687126.db2.gz COCDPJLNPJUFAZ-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478827 356687359 /nfs/dbraw/zinc/68/73/59/356687359.db2.gz COCDPJLNPJUFAZ-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)(F)F)C1 ZINC000389478828 356686581 /nfs/dbraw/zinc/68/65/81/356686581.db2.gz COOOAOWLQFMWNE-AXFHLTTASA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(C)(F)F)C1 ZINC000389478829 356687040 /nfs/dbraw/zinc/68/70/40/356687040.db2.gz COOOAOWLQFMWNE-GMTAPVOTSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)(F)F)C1 ZINC000389478830 356687332 /nfs/dbraw/zinc/68/73/32/356687332.db2.gz COOOAOWLQFMWNE-HBNTYKKESA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C(C)(F)F)C1 ZINC000389478831 356687166 /nfs/dbraw/zinc/68/71/66/356687166.db2.gz COOOAOWLQFMWNE-MXWKQRLJSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479132 356686797 /nfs/dbraw/zinc/68/67/97/356686797.db2.gz CSLQMOZGEDXVKX-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479133 356686983 /nfs/dbraw/zinc/68/69/83/356686983.db2.gz CSLQMOZGEDXVKX-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(C)(F)F ZINC000389479134 356686559 /nfs/dbraw/zinc/68/65/59/356686559.db2.gz CSLQMOZGEDXVKX-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479137 356686547 /nfs/dbraw/zinc/68/65/47/356686547.db2.gz CSLQMOZGEDXVKX-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)(F)F ZINC000389479910 356687600 /nfs/dbraw/zinc/68/76/00/356687600.db2.gz UASGKDKJHJPKPZ-JGVFFNPUSA-N 1 0 247.251 3.741 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C(C)(F)F ZINC000389479911 356688202 /nfs/dbraw/zinc/68/82/02/356688202.db2.gz UASGKDKJHJPKPZ-SFYZADRCSA-N 1 0 247.251 3.741 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C(C)(F)F ZINC000389479912 356687675 /nfs/dbraw/zinc/68/76/75/356687675.db2.gz UASGKDKJHJPKPZ-YUMQZZPRSA-N 1 0 247.251 3.741 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C(C)(F)F ZINC000389481930 398087355 /nfs/dbraw/zinc/08/73/55/398087355.db2.gz HEQFQLACRXVPEV-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)C(C)(F)F ZINC000389481931 356687750 /nfs/dbraw/zinc/68/77/50/356687750.db2.gz HEQFQLACRXVPEV-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CCC1([NH2+]Cc2ccc(O)cc2)CCCCC1 ZINC000389486320 398327996 /nfs/dbraw/zinc/32/79/96/398327996.db2.gz AOAQGPHJLSKOBG-UHFFFAOYSA-N 1 0 233.355 3.595 20 0 BHADRO CC(C)n1cc(C[NH2+]CC2CCCCCC2)cn1 ZINC000389486728 356690943 /nfs/dbraw/zinc/69/09/43/356690943.db2.gz RDDUAPHEHGQHBW-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)C(C)(F)F ZINC000389487239 356691095 /nfs/dbraw/zinc/69/10/95/356691095.db2.gz NXYPWKNQTBVADV-SECBINFHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)C(C)(F)F ZINC000389487241 356690886 /nfs/dbraw/zinc/69/08/86/356690886.db2.gz NXYPWKNQTBVADV-VIFPVBQESA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)C(C)(F)F ZINC000389489176 356692960 /nfs/dbraw/zinc/69/29/60/356692960.db2.gz QBILPUBHAJAIMF-NXEZZACHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)C(C)(F)F ZINC000389489177 356692823 /nfs/dbraw/zinc/69/28/23/356692823.db2.gz QBILPUBHAJAIMF-UWVGGRQHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)C(C)(F)F ZINC000389489178 356693608 /nfs/dbraw/zinc/69/36/08/356693608.db2.gz QBILPUBHAJAIMF-VHSXEESVSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)C(C)(F)F ZINC000389489179 356693735 /nfs/dbraw/zinc/69/37/35/356693735.db2.gz QBILPUBHAJAIMF-ZJUUUORDSA-N 1 0 207.308 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(C)(F)F ZINC000389491731 356693562 /nfs/dbraw/zinc/69/35/62/356693562.db2.gz SVGONGUQHHFSQP-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(C)(F)F ZINC000389491732 356693693 /nfs/dbraw/zinc/69/36/93/356693693.db2.gz SVGONGUQHHFSQP-MVWJERBFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(C)(F)F ZINC000389491734 356693240 /nfs/dbraw/zinc/69/32/40/356693240.db2.gz SVGONGUQHHFSQP-WCQGTBRESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(C)(F)F ZINC000389491735 356693269 /nfs/dbraw/zinc/69/32/69/356693269.db2.gz SVGONGUQHHFSQP-ZMLRMANQSA-N 1 0 231.330 3.589 20 0 BHADRO CCC1([NH2+]Cc2ccncc2C)CCCCC1 ZINC000389494443 398101019 /nfs/dbraw/zinc/10/10/19/398101019.db2.gz TYIGVQYXNNEPNO-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCC1CCC([NH2+][C@H](C)C(C)(F)F)CC1 ZINC000389495531 356694633 /nfs/dbraw/zinc/69/46/33/356694633.db2.gz YAYDTCHSROOZIZ-KPPDAEKUSA-N 1 0 219.319 3.589 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)C(C)(F)F)CC1 ZINC000389495532 356694583 /nfs/dbraw/zinc/69/45/83/356694583.db2.gz YAYDTCHSROOZIZ-WHXUTIOJSA-N 1 0 219.319 3.589 20 0 BHADRO CC1(C)CC[C@@H](C[NH2+]CC2CCCCCC2)O1 ZINC000389510490 356695353 /nfs/dbraw/zinc/69/53/53/356695353.db2.gz ZIQYNMOVIXDOBX-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H](C[NH2+]CC2CCCCCC2)O1 ZINC000389510492 356695179 /nfs/dbraw/zinc/69/51/79/356695179.db2.gz ZIQYNMOVIXDOBX-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCF)CC1 ZINC000389566161 538822623 /nfs/dbraw/zinc/82/26/23/538822623.db2.gz ACTCMZOWIFVQNV-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCCF)CC1 ZINC000389566162 538823157 /nfs/dbraw/zinc/82/31/57/538823157.db2.gz ACTCMZOWIFVQNV-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCCF)CC1 ZINC000389566164 538822603 /nfs/dbraw/zinc/82/26/03/538822603.db2.gz ACTCMZOWIFVQNV-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCCF)CC1 ZINC000389566165 488102185 /nfs/dbraw/zinc/10/21/85/488102185.db2.gz ACTCMZOWIFVQNV-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000389566404 356991671 /nfs/dbraw/zinc/99/16/71/356991671.db2.gz AEPSSEHUXOGYBT-GZMMTYOYSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000389566405 356991577 /nfs/dbraw/zinc/99/15/77/356991577.db2.gz AEPSSEHUXOGYBT-KCJUWKMLSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000389566406 356991870 /nfs/dbraw/zinc/99/18/70/356991870.db2.gz AEPSSEHUXOGYBT-KWQFWETISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000389566408 352076267 /nfs/dbraw/zinc/07/62/67/352076267.db2.gz AEPSSEHUXOGYBT-LDYMZIIASA-N 1 0 244.165 3.882 20 0 BHADRO CC1(C[NH2+]CCc2ccc(Cl)s2)CCC1 ZINC000389570267 539016473 /nfs/dbraw/zinc/01/64/73/539016473.db2.gz BFXMSVVCAPMTSA-UHFFFAOYSA-N 1 0 243.803 3.724 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000389570640 356992813 /nfs/dbraw/zinc/99/28/13/356992813.db2.gz BLIXIYVCDNOZAB-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000389570651 356992640 /nfs/dbraw/zinc/99/26/40/356992640.db2.gz BLIXIYVCDNOZAB-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC1(C)CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000389572157 356993638 /nfs/dbraw/zinc/99/36/38/356993638.db2.gz CCIOJCZCGWVWJJ-UHFFFAOYSA-N 1 0 223.747 3.618 20 0 BHADRO C1=CCC([NH2+]CCCC2CCCCC2)C1 ZINC000389585263 539016696 /nfs/dbraw/zinc/01/66/96/539016696.db2.gz JDIOSZFFHBWVHV-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000389586428 356996668 /nfs/dbraw/zinc/99/66/68/356996668.db2.gz GEYYFCSEMGUEAY-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000389586429 356996388 /nfs/dbraw/zinc/99/63/88/356996388.db2.gz GEYYFCSEMGUEAY-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000389586430 356996360 /nfs/dbraw/zinc/99/63/60/356996360.db2.gz GEYYFCSEMGUEAY-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCO1 ZINC000389586431 356996712 /nfs/dbraw/zinc/99/67/12/356996712.db2.gz GEYYFCSEMGUEAY-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO COC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000389589985 356996501 /nfs/dbraw/zinc/99/65/01/356996501.db2.gz HDFMZQHSXWLWTD-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 ZINC000389594269 356998866 /nfs/dbraw/zinc/99/88/66/356998866.db2.gz OGUTZYZMSLHHCZ-CRWXNKLISA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000389594278 356998842 /nfs/dbraw/zinc/99/88/42/356998842.db2.gz OGUTZYZMSLHHCZ-MQYQWHSLSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000389594279 356998687 /nfs/dbraw/zinc/99/86/87/356998687.db2.gz OGUTZYZMSLHHCZ-RFQIPJPRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 ZINC000389594280 356998653 /nfs/dbraw/zinc/99/86/53/356998653.db2.gz OGUTZYZMSLHHCZ-YIYPIFLZSA-N 1 0 209.377 3.589 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000389598955 355708412 /nfs/dbraw/zinc/70/84/12/355708412.db2.gz SDLVHBJMYSSDQN-ISZGNANSSA-N 1 0 203.329 3.549 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccccc1)C(C)C ZINC000389598956 355708315 /nfs/dbraw/zinc/70/83/15/355708315.db2.gz SDLVHBJMYSSDQN-NNTXTVRGSA-N 1 0 203.329 3.549 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccccc1)C(C)C ZINC000389598957 355708417 /nfs/dbraw/zinc/70/84/17/355708417.db2.gz SDLVHBJMYSSDQN-WSNITJDQSA-N 1 0 203.329 3.549 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000389598958 355708209 /nfs/dbraw/zinc/70/82/09/355708209.db2.gz SDLVHBJMYSSDQN-ZRUQZJFASA-N 1 0 203.329 3.549 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000389601149 711082958 /nfs/dbraw/zinc/08/29/58/711082958.db2.gz UONQKNXGTMOQPI-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000389601158 711082359 /nfs/dbraw/zinc/08/23/59/711082359.db2.gz UONQKNXGTMOQPI-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000389601159 711082518 /nfs/dbraw/zinc/08/25/18/711082518.db2.gz UONQKNXGTMOQPI-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000389601162 711082759 /nfs/dbraw/zinc/08/27/59/711082759.db2.gz UONQKNXGTMOQPI-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000389601936 357000281 /nfs/dbraw/zinc/00/02/81/357000281.db2.gz VEIIVHWFZMWUQQ-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000389601938 357000155 /nfs/dbraw/zinc/00/01/55/357000155.db2.gz VEIIVHWFZMWUQQ-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(Cl)o1 ZINC000389602010 357000301 /nfs/dbraw/zinc/00/03/01/357000301.db2.gz VHZFMAYJOQVMRC-UHFFFAOYSA-N 1 0 229.751 3.847 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1cscc1Cl ZINC000389604992 711082648 /nfs/dbraw/zinc/08/26/48/711082648.db2.gz XOSRTYRJYMRRNL-GDGBQDQQSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1cscc1Cl ZINC000389604994 711082570 /nfs/dbraw/zinc/08/25/70/711082570.db2.gz XOSRTYRJYMRRNL-IUCAKERBSA-N 1 0 243.803 3.926 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1cscc1Cl ZINC000389604995 711082834 /nfs/dbraw/zinc/08/28/34/711082834.db2.gz XOSRTYRJYMRRNL-RKDXNWHRSA-N 1 0 243.803 3.926 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H]2C)ccc1Cl ZINC000389613412 357002771 /nfs/dbraw/zinc/00/27/71/357002771.db2.gz FITAAYBVXOAKOV-NOZJJQNGSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H]2C)ccc1Cl ZINC000389613414 357002852 /nfs/dbraw/zinc/00/28/52/357002852.db2.gz FITAAYBVXOAKOV-RNCFNFMXSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H]2C)ccc1Cl ZINC000389613415 357002837 /nfs/dbraw/zinc/00/28/37/357002837.db2.gz FITAAYBVXOAKOV-TVQRCGJNSA-N 1 0 223.747 3.537 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H]2C)ccc1Cl ZINC000389613416 357003047 /nfs/dbraw/zinc/00/30/47/357003047.db2.gz FITAAYBVXOAKOV-ZANVPECISA-N 1 0 223.747 3.537 20 0 BHADRO C1=C(CC[NH2+]C2CCCC2)CCCCC1 ZINC000389618870 357004709 /nfs/dbraw/zinc/00/47/09/357004709.db2.gz HUBZZDQKHDYZSQ-UHFFFAOYSA-N 1 0 207.361 3.799 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000389621659 357004067 /nfs/dbraw/zinc/00/40/67/357004067.db2.gz IBCXZCSOQIJVKH-AGGWBTHJSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C)C(C)(C)C ZINC000389623829 357005569 /nfs/dbraw/zinc/00/55/69/357005569.db2.gz JQYLXVJFTAADOX-UHFFFAOYSA-N 1 0 225.401 3.971 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCC2)cs1 ZINC000389631684 357006265 /nfs/dbraw/zinc/00/62/65/357006265.db2.gz MLLMGXFNRWAIHY-UHFFFAOYSA-N 1 0 223.385 3.869 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389635935 357007878 /nfs/dbraw/zinc/00/78/78/357007878.db2.gz LOYHOQXPEUZOHB-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC([NH2+]CCC2=CCCCC2)C1 ZINC000389636118 357009090 /nfs/dbraw/zinc/00/90/90/357009090.db2.gz ODFITKXDYGRRHK-UHFFFAOYSA-N 1 0 207.361 3.655 20 0 BHADRO CCC1([NH2+]Cc2cccc(O)c2)CCCCC1 ZINC000389644025 357007548 /nfs/dbraw/zinc/00/75/48/357007548.db2.gz NWUDALBFSFQEPZ-UHFFFAOYSA-N 1 0 233.355 3.595 20 0 BHADRO CC1(C[NH2+]CCC2=CCCCCC2)CC1 ZINC000389644477 357010365 /nfs/dbraw/zinc/01/03/65/357010365.db2.gz SBQOXUDCBBBIOI-UHFFFAOYSA-N 1 0 207.361 3.657 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000389645322 357008453 /nfs/dbraw/zinc/00/84/53/357008453.db2.gz SMJHZINSLHTLDE-PELKAZGASA-N 1 0 244.165 3.882 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000389645323 357009020 /nfs/dbraw/zinc/00/90/20/357009020.db2.gz SMJHZINSLHTLDE-PRHODGIISA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000389645324 357008520 /nfs/dbraw/zinc/00/85/20/357008520.db2.gz SMJHZINSLHTLDE-QPUJVOFHSA-N 1 0 244.165 3.882 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000389645325 357008877 /nfs/dbraw/zinc/00/88/77/357008877.db2.gz SMJHZINSLHTLDE-UFBFGSQYSA-N 1 0 244.165 3.882 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CSC[C@H]1C ZINC000389649286 357008643 /nfs/dbraw/zinc/00/86/43/357008643.db2.gz VBSRYRVEBBEWFB-AGIUHOORSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CSC[C@@H]1C ZINC000389649288 357009044 /nfs/dbraw/zinc/00/90/44/357009044.db2.gz VBSRYRVEBBEWFB-AVGNSLFASA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CSC[C@H]1C ZINC000389649293 357008747 /nfs/dbraw/zinc/00/87/47/357008747.db2.gz VBSRYRVEBBEWFB-FRRDWIJNSA-N 1 0 229.433 3.544 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000389649295 357008591 /nfs/dbraw/zinc/00/85/91/357008591.db2.gz VBSRYRVEBBEWFB-RWMBFGLXSA-N 1 0 229.433 3.544 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000389654315 537907843 /nfs/dbraw/zinc/90/78/43/537907843.db2.gz RLHABPUJKIYGIV-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000389654316 539016768 /nfs/dbraw/zinc/01/67/68/539016768.db2.gz RLHABPUJKIYGIV-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000389654317 539016546 /nfs/dbraw/zinc/01/65/46/539016546.db2.gz RLHABPUJKIYGIV-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000389654318 537908105 /nfs/dbraw/zinc/90/81/05/537908105.db2.gz RLHABPUJKIYGIV-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000389655593 357010420 /nfs/dbraw/zinc/01/04/20/357010420.db2.gz YRUYIGLMVCEUCG-JTQLQIEISA-N 1 0 241.787 3.990 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000389655596 357010377 /nfs/dbraw/zinc/01/03/77/357010377.db2.gz YRUYIGLMVCEUCG-SNVBAGLBSA-N 1 0 241.787 3.990 20 0 BHADRO CCC1([NH2+]Cc2scnc2C)CCCCC1 ZINC000389658334 357011978 /nfs/dbraw/zinc/01/19/78/357011978.db2.gz SOXSMBHESGSHLD-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CC[C@H](C)C2)CC1 ZINC000389659939 357011543 /nfs/dbraw/zinc/01/15/43/357011543.db2.gz BULFOCIYQLFIHE-IHRRRGAJSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000389659940 357011707 /nfs/dbraw/zinc/01/17/07/357011707.db2.gz BULFOCIYQLFIHE-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C2)CC1 ZINC000389659941 357011288 /nfs/dbraw/zinc/01/12/88/357011288.db2.gz BULFOCIYQLFIHE-MJBXVCDLSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)C2)CC1 ZINC000389659942 357011700 /nfs/dbraw/zinc/01/17/00/357011700.db2.gz BULFOCIYQLFIHE-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO CCC1([NH2+]Cc2cncn2C(C)C)CCCCC1 ZINC000389666946 357013071 /nfs/dbraw/zinc/01/30/71/357013071.db2.gz VPRYSSTXVWWZLS-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CCC1([NH2+]Cc2nc(C)cs2)CCCCC1 ZINC000389672617 357012569 /nfs/dbraw/zinc/01/25/69/357012569.db2.gz WYCXIHCVCWBOQG-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000389674858 357013573 /nfs/dbraw/zinc/01/35/73/357013573.db2.gz XJJVQVYKPHEYNW-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC000389674860 357013773 /nfs/dbraw/zinc/01/37/73/357013773.db2.gz XJJVQVYKPHEYNW-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccs1 ZINC000389684430 357014665 /nfs/dbraw/zinc/01/46/65/357014665.db2.gz GAYJRHRPBSLAIA-DCAQKATOSA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cccs1 ZINC000389684435 357014775 /nfs/dbraw/zinc/01/47/75/357014775.db2.gz GAYJRHRPBSLAIA-GARJFASQSA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccs1 ZINC000389684439 357014529 /nfs/dbraw/zinc/01/45/29/357014529.db2.gz GAYJRHRPBSLAIA-OUAUKWLOSA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cccs1 ZINC000389684452 357014737 /nfs/dbraw/zinc/01/47/37/357014737.db2.gz GAYJRHRPBSLAIA-VWYCJHECSA-N 1 0 241.425 3.540 20 0 BHADRO C1CC([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000389690852 357015350 /nfs/dbraw/zinc/01/53/50/357015350.db2.gz HQBKSHQGJWULKT-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CC([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000389690853 357015268 /nfs/dbraw/zinc/01/52/68/357015268.db2.gz HQBKSHQGJWULKT-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)[C@H]1CC1(C)C ZINC000389693129 711087105 /nfs/dbraw/zinc/08/71/05/711087105.db2.gz IEAOZRKEHFHMFK-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)[C@@H]1CC1(C)C ZINC000389693131 712689790 /nfs/dbraw/zinc/68/97/90/712689790.db2.gz IEAOZRKEHFHMFK-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)[C@@H]1CC1(C)C ZINC000389693133 712689775 /nfs/dbraw/zinc/68/97/75/712689775.db2.gz IEAOZRKEHFHMFK-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)[C@H]1CC1(C)C ZINC000389693138 712689854 /nfs/dbraw/zinc/68/98/54/712689854.db2.gz IEAOZRKEHFHMFK-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)C(C)(C)C)cs1 ZINC000389694081 711086842 /nfs/dbraw/zinc/08/68/42/711086842.db2.gz IIYFYKZJHJBNCR-JTQLQIEISA-N 1 0 225.401 3.828 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)cs1 ZINC000389694082 711086942 /nfs/dbraw/zinc/08/69/42/711086942.db2.gz IIYFYKZJHJBNCR-SNVBAGLBSA-N 1 0 225.401 3.828 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000389716564 357018637 /nfs/dbraw/zinc/01/86/37/357018637.db2.gz ODEXOGJZKYOFNC-CHWSQXEVSA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000389716565 357018922 /nfs/dbraw/zinc/01/89/22/357018922.db2.gz ODEXOGJZKYOFNC-OLZOCXBDSA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000389716566 357018699 /nfs/dbraw/zinc/01/86/99/357018699.db2.gz ODEXOGJZKYOFNC-QWHCGFSZSA-N 1 0 209.377 3.757 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000389716567 357018641 /nfs/dbraw/zinc/01/86/41/357018641.db2.gz ODEXOGJZKYOFNC-STQMWFEESA-N 1 0 209.377 3.757 20 0 BHADRO CC1(C[NH2+]CCCCF)CCCCCC1 ZINC000389720782 357019330 /nfs/dbraw/zinc/01/93/30/357019330.db2.gz PKRLTFOBECYEHP-UHFFFAOYSA-N 1 0 215.356 3.686 20 0 BHADRO CCC1([NH2+]Cc2cnc(C)s2)CCCCC1 ZINC000389729186 357021971 /nfs/dbraw/zinc/02/19/71/357021971.db2.gz IKSAZJDORPFEMA-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000389746841 357021955 /nfs/dbraw/zinc/02/19/55/357021955.db2.gz XUGAHZVVJNUKSY-ABXWRUBCSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000389746844 357023002 /nfs/dbraw/zinc/02/30/02/357023002.db2.gz XUGAHZVVJNUKSY-BLYZHGLHSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000389746851 357022883 /nfs/dbraw/zinc/02/28/83/357022883.db2.gz XUGAHZVVJNUKSY-GFJIZPEISA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000389746853 357022608 /nfs/dbraw/zinc/02/26/08/357022608.db2.gz XUGAHZVVJNUKSY-RYSNWHEDSA-N 1 0 209.377 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC2(C)C)s1 ZINC000389750238 357024784 /nfs/dbraw/zinc/02/47/84/357024784.db2.gz YQZVCTITIWSRQU-GFCCVEGCSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC2(C)C)s1 ZINC000389750241 357024720 /nfs/dbraw/zinc/02/47/20/357024720.db2.gz YQZVCTITIWSRQU-LBPRGKRZSA-N 1 0 223.385 3.589 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccoc1 ZINC000389751455 539017182 /nfs/dbraw/zinc/01/71/82/539017182.db2.gz ZDMWAAYPQUXHQP-LLVKDONJSA-N 1 0 209.333 3.757 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccoc1 ZINC000389751456 539017695 /nfs/dbraw/zinc/01/76/95/539017695.db2.gz ZDMWAAYPQUXHQP-NSHDSACASA-N 1 0 209.333 3.757 20 0 BHADRO CCC1([NH2+]Cc2csc(C)n2)CCCCC1 ZINC000389757433 357026796 /nfs/dbraw/zinc/02/67/96/357026796.db2.gz OFAQNZYHQHLWKL-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO CCC1([NH2+]Cc2cnn(C(C)C)c2)CCCCC1 ZINC000389760859 357026298 /nfs/dbraw/zinc/02/62/98/357026298.db2.gz PGXKRGNBIKDTQA-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1cncs1 ZINC000389769367 357027253 /nfs/dbraw/zinc/02/72/53/357027253.db2.gz SJYQYODLXOKVDA-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1cncs1 ZINC000389769368 357027299 /nfs/dbraw/zinc/02/72/99/357027299.db2.gz SJYQYODLXOKVDA-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1cscn1 ZINC000389772374 359970238 /nfs/dbraw/zinc/97/02/38/359970238.db2.gz TZGYYJHNTPEZAB-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1cscn1 ZINC000389772375 487602903 /nfs/dbraw/zinc/60/29/03/487602903.db2.gz TZGYYJHNTPEZAB-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCC1([NH2+]Cc2cccnc2C)CCCCC1 ZINC000389776628 357029337 /nfs/dbraw/zinc/02/93/37/357029337.db2.gz UYFKDDGWSHRLKZ-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CCC1([NH2+]CCC2CCOCC2)CCCCC1 ZINC000389782544 398136580 /nfs/dbraw/zinc/13/65/80/398136580.db2.gz VYYNPBMFSZNUQF-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO FC1(CC[NH2+]C2CCCCCC2)CCC1 ZINC000389832002 357047851 /nfs/dbraw/zinc/04/78/51/357047851.db2.gz AOERZMFXYJLGEV-UHFFFAOYSA-N 1 0 213.340 3.581 20 0 BHADRO CCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000389833941 357050356 /nfs/dbraw/zinc/05/03/56/357050356.db2.gz CEGJPTDPQFBWGI-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000389833943 357050670 /nfs/dbraw/zinc/05/06/70/357050670.db2.gz CEGJPTDPQFBWGI-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)C)oc1C ZINC000389839184 357052624 /nfs/dbraw/zinc/05/26/24/357052624.db2.gz HMAZQZFZNOYSOT-LLVKDONJSA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)C)oc1C ZINC000389839196 357053313 /nfs/dbraw/zinc/05/33/13/357053313.db2.gz HMAZQZFZNOYSOT-NSHDSACASA-N 1 0 209.333 3.593 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)C1CCC1)SC ZINC000389839800 711091954 /nfs/dbraw/zinc/09/19/54/711091954.db2.gz IBMUGUUCURBLIX-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)C1CCC1)SC ZINC000389839802 711092812 /nfs/dbraw/zinc/09/28/12/711092812.db2.gz IBMUGUUCURBLIX-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1CC(C)(C)C1 ZINC000389839896 357053086 /nfs/dbraw/zinc/05/30/86/357053086.db2.gz IFFPZNLARGVKIW-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1CC(C)(C)C1 ZINC000389839899 357053215 /nfs/dbraw/zinc/05/32/15/357053215.db2.gz IFFPZNLARGVKIW-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)(C[NH2+]C1CC(C)(C)C1)SC ZINC000389846957 711092022 /nfs/dbraw/zinc/09/20/22/711092022.db2.gz OXCBZUNKSLZZHR-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO CSCCCCC[NH2+][C@H](C(C)C)C1CC1 ZINC000389847424 357053752 /nfs/dbraw/zinc/05/37/52/357053752.db2.gz PQGXSHIYGGYESW-CYBMUJFWSA-N 1 0 229.433 3.544 20 0 BHADRO CSCCCCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000389847426 357053568 /nfs/dbraw/zinc/05/35/68/357053568.db2.gz PQGXSHIYGGYESW-ZDUSSCGKSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc(Cl)c1 ZINC000389852129 357054502 /nfs/dbraw/zinc/05/45/02/357054502.db2.gz WSVQYIZJCJDBIV-UHFFFAOYSA-N 1 0 223.747 3.786 20 0 BHADRO CCCC(CCC)[NH2+]CCC1(F)CCC1 ZINC000389854045 357055361 /nfs/dbraw/zinc/05/53/61/357055361.db2.gz AATZIBQHLDCSJN-UHFFFAOYSA-N 1 0 215.356 3.827 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000389856149 357055021 /nfs/dbraw/zinc/05/50/21/357055021.db2.gz BAWVVJFLMBAGIN-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000389856150 357054966 /nfs/dbraw/zinc/05/49/66/357054966.db2.gz BAWVVJFLMBAGIN-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000389856151 357055005 /nfs/dbraw/zinc/05/50/05/357055005.db2.gz BAWVVJFLMBAGIN-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000389856152 357055204 /nfs/dbraw/zinc/05/52/04/357055204.db2.gz BAWVVJFLMBAGIN-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000389856531 357056091 /nfs/dbraw/zinc/05/60/91/357056091.db2.gz BCCVTYZONGZBNS-LLVKDONJSA-N 1 0 209.333 3.737 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000389856532 357056167 /nfs/dbraw/zinc/05/61/67/357056167.db2.gz BCCVTYZONGZBNS-NSHDSACASA-N 1 0 209.333 3.737 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(Cl)o1 ZINC000389856617 539018017 /nfs/dbraw/zinc/01/80/17/539018017.db2.gz BEOYTYAVVNPVRZ-JTQLQIEISA-N 1 0 229.751 3.705 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(Cl)o1 ZINC000389856618 539018045 /nfs/dbraw/zinc/01/80/45/539018045.db2.gz BEOYTYAVVNPVRZ-SNVBAGLBSA-N 1 0 229.751 3.705 20 0 BHADRO Cc1ccsc1CC[NH2+]CCC(C)(C)C ZINC000389860402 357055991 /nfs/dbraw/zinc/05/59/91/357055991.db2.gz DCMAXAYIBREBFI-UHFFFAOYSA-N 1 0 225.401 3.625 20 0 BHADRO CSC[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000389862560 357054536 /nfs/dbraw/zinc/05/45/36/357054536.db2.gz FEEQXXYQXMUAQS-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CSC[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000389862561 357054468 /nfs/dbraw/zinc/05/44/68/357054468.db2.gz FEEQXXYQXMUAQS-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO Cc1ccc(C[NH2+]CC2CC(C)(C)C2)s1 ZINC000389862649 357054392 /nfs/dbraw/zinc/05/43/92/357054392.db2.gz FILZLSZCFNDHPA-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO CCSCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000389863659 357056426 /nfs/dbraw/zinc/05/64/26/357056426.db2.gz FSIAYUOFPBHDJI-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000389863661 357057671 /nfs/dbraw/zinc/05/76/71/357057671.db2.gz FSIAYUOFPBHDJI-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000389863662 357057705 /nfs/dbraw/zinc/05/77/05/357057705.db2.gz FSIAYUOFPBHDJI-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000389863745 357057422 /nfs/dbraw/zinc/05/74/22/357057422.db2.gz FSIAYUOFPBHDJI-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000389863776 357057628 /nfs/dbraw/zinc/05/76/28/357057628.db2.gz FTADZKLVVXQIBE-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000389863777 357057666 /nfs/dbraw/zinc/05/76/66/357057666.db2.gz FTADZKLVVXQIBE-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000389863778 357057512 /nfs/dbraw/zinc/05/75/12/357057512.db2.gz FTADZKLVVXQIBE-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000389863779 357057656 /nfs/dbraw/zinc/05/76/56/357057656.db2.gz FTADZKLVVXQIBE-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccs1 ZINC000389866612 539017799 /nfs/dbraw/zinc/01/77/99/539017799.db2.gz GYDIEUVQBBUDJX-BDAKNGLRSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000389866619 538007625 /nfs/dbraw/zinc/00/76/25/538007625.db2.gz GYDIEUVQBBUDJX-DTWKUNHWSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccs1 ZINC000389866620 538007980 /nfs/dbraw/zinc/00/79/80/538007980.db2.gz GYDIEUVQBBUDJX-IUCAKERBSA-N 1 0 231.311 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccs1 ZINC000389866621 538007960 /nfs/dbraw/zinc/00/79/60/538007960.db2.gz GYDIEUVQBBUDJX-RKDXNWHRSA-N 1 0 231.311 3.587 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000389867444 357056818 /nfs/dbraw/zinc/05/68/18/357056818.db2.gz HJURBMPYYXYHJY-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000389867445 357056509 /nfs/dbraw/zinc/05/65/09/357056509.db2.gz HJURBMPYYXYHJY-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000389867447 357056944 /nfs/dbraw/zinc/05/69/44/357056944.db2.gz HJURBMPYYXYHJY-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000389867449 357056612 /nfs/dbraw/zinc/05/66/12/357056612.db2.gz HJURBMPYYXYHJY-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000389869832 357057710 /nfs/dbraw/zinc/05/77/10/357057710.db2.gz IXAHKPFXFBOERQ-LLVKDONJSA-N 1 0 225.763 3.579 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000389869833 357057380 /nfs/dbraw/zinc/05/73/80/357057380.db2.gz IXAHKPFXFBOERQ-NSHDSACASA-N 1 0 225.763 3.579 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2ccccc2)C1 ZINC000389870109 357057575 /nfs/dbraw/zinc/05/75/75/357057575.db2.gz IYNXLTMCKBSSQI-LKSINWNRSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C1CCCC1 ZINC000389870209 357057582 /nfs/dbraw/zinc/05/75/82/357057582.db2.gz JCPNZTGEVKZQPN-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000389870688 357057393 /nfs/dbraw/zinc/05/73/93/357057393.db2.gz JIPGENJMWHVZJO-CHWSQXEVSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000389870690 357057474 /nfs/dbraw/zinc/05/74/74/357057474.db2.gz JIPGENJMWHVZJO-OLZOCXBDSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000389870692 357057322 /nfs/dbraw/zinc/05/73/22/357057322.db2.gz JIPGENJMWHVZJO-QWHCGFSZSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000389870697 357057715 /nfs/dbraw/zinc/05/77/15/357057715.db2.gz JIPGENJMWHVZJO-STQMWFEESA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCCCF ZINC000389871008 357057508 /nfs/dbraw/zinc/05/75/08/357057508.db2.gz JLZPDPIIGFRUPS-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCCCF ZINC000389871009 357057662 /nfs/dbraw/zinc/05/76/62/357057662.db2.gz JLZPDPIIGFRUPS-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)C([NH2+]CCSC(C)(C)C)C(C)C ZINC000389876323 712690814 /nfs/dbraw/zinc/69/08/14/712690814.db2.gz LYAJMCBUMRBQJT-UHFFFAOYSA-N 1 0 231.449 3.788 20 0 BHADRO C[C@@H](C[NH2+]C12CCC(CC1)C2)C(C)(C)C ZINC000389877082 711095339 /nfs/dbraw/zinc/09/53/39/711095339.db2.gz MHBQPDYRBIOJMI-DCBWTQNWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](C[NH2+]C12CCC(CC1)C2)C(C)(C)C ZINC000389877083 711094877 /nfs/dbraw/zinc/09/48/77/711094877.db2.gz MHBQPDYRBIOJMI-LKSINWNRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCCC1 ZINC000389878859 357057564 /nfs/dbraw/zinc/05/75/64/357057564.db2.gz NDPXXRCBDQKVGM-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCCC1 ZINC000389878862 357058377 /nfs/dbraw/zinc/05/83/77/357058377.db2.gz NDPXXRCBDQKVGM-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CCCC1 ZINC000389878866 357059061 /nfs/dbraw/zinc/05/90/61/357059061.db2.gz NDPXXRCBDQKVGM-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CCCC1 ZINC000389878870 357059051 /nfs/dbraw/zinc/05/90/51/357059051.db2.gz NDPXXRCBDQKVGM-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000389879494 357059077 /nfs/dbraw/zinc/05/90/77/357059077.db2.gz NIXQVTRDPAJICW-JHJVBQTASA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000389879495 357058664 /nfs/dbraw/zinc/05/86/64/357058664.db2.gz NIXQVTRDPAJICW-UPJWGTAASA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000389879496 357059009 /nfs/dbraw/zinc/05/90/09/357059009.db2.gz NIXQVTRDPAJICW-XQQFMLRXSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000389879497 352601064 /nfs/dbraw/zinc/60/10/64/352601064.db2.gz NIXQVTRDPAJICW-YNEHKIRRSA-N 1 0 207.361 3.509 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000389879983 357059048 /nfs/dbraw/zinc/05/90/48/357059048.db2.gz NSCFLQOEVPJBLM-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000389879984 357059799 /nfs/dbraw/zinc/05/97/99/357059799.db2.gz NSCFLQOEVPJBLM-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000389879985 357059761 /nfs/dbraw/zinc/05/97/61/357059761.db2.gz NSCFLQOEVPJBLM-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000389879986 357059690 /nfs/dbraw/zinc/05/96/90/357059690.db2.gz NSCFLQOEVPJBLM-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)C1CCCCC1 ZINC000389882067 357059786 /nfs/dbraw/zinc/05/97/86/357059786.db2.gz OVZZYRQRJIVHIZ-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)C1CCCCC1 ZINC000389882068 357059820 /nfs/dbraw/zinc/05/98/20/357059820.db2.gz OVZZYRQRJIVHIZ-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CC)C1)c1cccs1 ZINC000389882310 357059803 /nfs/dbraw/zinc/05/98/03/357059803.db2.gz PCFCTYHQIUKDGV-HTAVTVPLSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C1CC(CC)C1)c1cccs1 ZINC000389882312 357059727 /nfs/dbraw/zinc/05/97/27/357059727.db2.gz PCFCTYHQIUKDGV-MCIGGMRASA-N 1 0 223.385 3.977 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C ZINC000389883300 357059784 /nfs/dbraw/zinc/05/97/84/357059784.db2.gz PSODBJBDUNDDLR-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C ZINC000389883301 357059809 /nfs/dbraw/zinc/05/98/09/357059809.db2.gz PSODBJBDUNDDLR-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO Clc1sccc1C[NH2+]C(C1CC1)C1CC1 ZINC000389883861 357059351 /nfs/dbraw/zinc/05/93/51/357059351.db2.gz PZBCNGFNARBPMA-UHFFFAOYSA-N 1 0 241.787 3.680 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC1(C)C)c1cccs1 ZINC000389883882 357059778 /nfs/dbraw/zinc/05/97/78/357059778.db2.gz QAFXVVVDGQHDMI-GXSJLCMTSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CSC1(C)C)c1cccs1 ZINC000389883883 357059466 /nfs/dbraw/zinc/05/94/66/357059466.db2.gz QAFXVVVDGQHDMI-KOLCDFICSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cccs1 ZINC000389883884 357059768 /nfs/dbraw/zinc/05/97/68/357059768.db2.gz QAFXVVVDGQHDMI-MWLCHTKSSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC1(C)C)c1cccs1 ZINC000389883885 357059283 /nfs/dbraw/zinc/05/92/83/357059283.db2.gz QAFXVVVDGQHDMI-ONGXEEELSA-N 1 0 241.425 3.683 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000389884263 488121963 /nfs/dbraw/zinc/12/19/63/488121963.db2.gz QGSHTCMXGZUKMH-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000389884264 488121827 /nfs/dbraw/zinc/12/18/27/488121827.db2.gz QGSHTCMXGZUKMH-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000389884265 488121898 /nfs/dbraw/zinc/12/18/98/488121898.db2.gz QGSHTCMXGZUKMH-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000389884266 488122003 /nfs/dbraw/zinc/12/20/03/488122003.db2.gz QGSHTCMXGZUKMH-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1CC(C)(C)C1 ZINC000389885662 539018173 /nfs/dbraw/zinc/01/81/73/539018173.db2.gz RFJZFKVYLSSONI-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1CC(C)(C)C1 ZINC000389885663 539018221 /nfs/dbraw/zinc/01/82/21/539018221.db2.gz RFJZFKVYLSSONI-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO Clc1ccsc1C[NH2+][C@@H]1CC12CCCC2 ZINC000389887155 357059041 /nfs/dbraw/zinc/05/90/41/357059041.db2.gz SKFPFNYFDYRMSB-LLVKDONJSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1ccsc1C[NH2+][C@H]1CC12CCCC2 ZINC000389887156 352639078 /nfs/dbraw/zinc/63/90/78/352639078.db2.gz SKFPFNYFDYRMSB-NSHDSACASA-N 1 0 241.787 3.824 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000389887410 357058712 /nfs/dbraw/zinc/05/87/12/357058712.db2.gz SMSJIGPTAAKIOB-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000389887411 357059060 /nfs/dbraw/zinc/05/90/60/357059060.db2.gz SMSJIGPTAAKIOB-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H]([NH2+]C1CCC1)C1CCCCC1 ZINC000389889856 357062398 /nfs/dbraw/zinc/06/23/98/357062398.db2.gz VBTLYZBAVRERJO-AWEZNQCLSA-N 1 0 209.377 3.878 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC1)C1CCCCC1 ZINC000389889858 357062116 /nfs/dbraw/zinc/06/21/16/357062116.db2.gz VBTLYZBAVRERJO-CQSZACIVSA-N 1 0 209.377 3.878 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H](C)CF ZINC000389892025 357060121 /nfs/dbraw/zinc/06/01/21/357060121.db2.gz AJTAQGKRFKGVAO-CHWSQXEVSA-N 1 0 215.356 3.707 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H](C)CF ZINC000389892029 357060527 /nfs/dbraw/zinc/06/05/27/357060527.db2.gz AJTAQGKRFKGVAO-OLZOCXBDSA-N 1 0 215.356 3.707 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)CF ZINC000389892031 357060146 /nfs/dbraw/zinc/06/01/46/357060146.db2.gz AJTAQGKRFKGVAO-QWHCGFSZSA-N 1 0 215.356 3.707 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)CF ZINC000389892032 357060096 /nfs/dbraw/zinc/06/00/96/357060096.db2.gz AJTAQGKRFKGVAO-STQMWFEESA-N 1 0 215.356 3.707 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CCC2)C[C@H]1C ZINC000389892180 357060211 /nfs/dbraw/zinc/06/02/11/357060211.db2.gz WQDKNFXAHLHCHN-BNOWGMLFSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CCC2)C[C@@H]1C ZINC000389892181 357060282 /nfs/dbraw/zinc/06/02/82/357060282.db2.gz WQDKNFXAHLHCHN-UBHSHLNASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CCC2)C[C@H]1C ZINC000389892182 357060107 /nfs/dbraw/zinc/06/01/07/357060107.db2.gz WQDKNFXAHLHCHN-XBFCOCLRSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CCC2)C[C@@H]1C ZINC000389892183 357060474 /nfs/dbraw/zinc/06/04/74/357060474.db2.gz WQDKNFXAHLHCHN-YUTCNCBUSA-N 1 0 209.377 3.589 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCCC(C)C ZINC000389892521 357060262 /nfs/dbraw/zinc/06/02/62/357060262.db2.gz WTCIDPJDPFGVJE-FRRDWIJNSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)CCCC(C)C ZINC000389892522 357060484 /nfs/dbraw/zinc/06/04/84/357060484.db2.gz WTCIDPJDPFGVJE-JHJVBQTASA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCCC(C)C ZINC000389892523 357060151 /nfs/dbraw/zinc/06/01/51/357060151.db2.gz WTCIDPJDPFGVJE-RWMBFGLXSA-N 1 0 229.433 3.685 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCCC(C)C ZINC000389892524 357060394 /nfs/dbraw/zinc/06/03/94/357060394.db2.gz WTCIDPJDPFGVJE-YNEHKIRRSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000389892874 357060464 /nfs/dbraw/zinc/06/04/64/357060464.db2.gz WXPHAYSNQVVVDU-AVGNSLFASA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000389892875 357060392 /nfs/dbraw/zinc/06/03/92/357060392.db2.gz WXPHAYSNQVVVDU-RWMBFGLXSA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000389892876 357060498 /nfs/dbraw/zinc/06/04/98/357060498.db2.gz WXPHAYSNQVVVDU-XQQFMLRXSA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000389892877 357060255 /nfs/dbraw/zinc/06/02/55/357060255.db2.gz WXPHAYSNQVVVDU-YNEHKIRRSA-N 1 0 213.340 3.602 20 0 BHADRO CCCCCC[C@H](C)NC1(C(F)F)CC1 ZINC000389893908 711095765 /nfs/dbraw/zinc/09/57/65/711095765.db2.gz XNJWHTVAOMULHG-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCCCCC[C@@H](C)NC1(C(F)F)CC1 ZINC000389893909 711096021 /nfs/dbraw/zinc/09/60/21/711096021.db2.gz XNJWHTVAOMULHG-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389895053 357061895 /nfs/dbraw/zinc/06/18/95/357061895.db2.gz YFDTXYOANOJTOV-GXSJLCMTSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389895054 357062201 /nfs/dbraw/zinc/06/22/01/357062201.db2.gz YFDTXYOANOJTOV-KOLCDFICSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389895055 357062441 /nfs/dbraw/zinc/06/24/41/357062441.db2.gz YFDTXYOANOJTOV-MWLCHTKSSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389895056 352652780 /nfs/dbraw/zinc/65/27/80/352652780.db2.gz YFDTXYOANOJTOV-ONGXEEELSA-N 1 0 219.319 3.589 20 0 BHADRO CSc1ccc(C[NH2+]CCCC(C)C)s1 ZINC000389895444 357062396 /nfs/dbraw/zinc/06/23/96/357062396.db2.gz YQKLWUWCDODQPF-UHFFFAOYSA-N 1 0 243.441 3.996 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]Cc1cccs1 ZINC000389895973 357062768 /nfs/dbraw/zinc/06/27/68/357062768.db2.gz YWQYMHZWLQVEOV-UHFFFAOYSA-N 1 0 225.401 3.910 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000389896329 712690882 /nfs/dbraw/zinc/69/08/82/712690882.db2.gz ZFOMRLFUXCKHPS-MRVPVSSYSA-N 1 0 247.169 3.667 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000389896330 712691062 /nfs/dbraw/zinc/69/10/62/712691062.db2.gz ZFOMRLFUXCKHPS-QMMMGPOBSA-N 1 0 247.169 3.667 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000389898949 357063136 /nfs/dbraw/zinc/06/31/36/357063136.db2.gz AOWCRQGSJYWXAT-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000389898950 357063034 /nfs/dbraw/zinc/06/30/34/357063034.db2.gz AOWCRQGSJYWXAT-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)(C)CCCC[NH2+]C[C@H]1CCSC1 ZINC000389899267 357063472 /nfs/dbraw/zinc/06/34/72/357063472.db2.gz BYAYVCILBPUVOI-GFCCVEGCSA-N 1 0 229.433 3.546 20 0 BHADRO CC(C)(C)CCCC[NH2+]C[C@@H]1CCSC1 ZINC000389899268 357063546 /nfs/dbraw/zinc/06/35/46/357063546.db2.gz BYAYVCILBPUVOI-LBPRGKRZSA-N 1 0 229.433 3.546 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000389900664 539018308 /nfs/dbraw/zinc/01/83/08/539018308.db2.gz CXBCHAVOHZERTP-AGIUHOORSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000389900666 539018572 /nfs/dbraw/zinc/01/85/72/539018572.db2.gz CXBCHAVOHZERTP-AVGNSLFASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000389900667 539018398 /nfs/dbraw/zinc/01/83/98/539018398.db2.gz CXBCHAVOHZERTP-FRRDWIJNSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000389900668 539018224 /nfs/dbraw/zinc/01/82/24/539018224.db2.gz CXBCHAVOHZERTP-RWMBFGLXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCCF)C(C)(C)C ZINC000389901033 357064205 /nfs/dbraw/zinc/06/42/05/357064205.db2.gz BWPBZMQSLDEDIX-GFCCVEGCSA-N 1 0 217.372 3.787 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCCF)C(C)(C)C ZINC000389901034 357064261 /nfs/dbraw/zinc/06/42/61/357064261.db2.gz BWPBZMQSLDEDIX-LBPRGKRZSA-N 1 0 217.372 3.787 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389901125 357064551 /nfs/dbraw/zinc/06/45/51/357064551.db2.gz CCWKUAYUVIWEID-CABCVRRESA-N 1 0 249.398 3.616 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389901126 357064274 /nfs/dbraw/zinc/06/42/74/357064274.db2.gz CCWKUAYUVIWEID-GJZGRUSLSA-N 1 0 249.398 3.616 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389901128 357064244 /nfs/dbraw/zinc/06/42/44/357064244.db2.gz CCWKUAYUVIWEID-HUUCEWRRSA-N 1 0 249.398 3.616 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389901129 357064407 /nfs/dbraw/zinc/06/44/07/357064407.db2.gz CCWKUAYUVIWEID-LSDHHAIUSA-N 1 0 249.398 3.616 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000389901593 357064840 /nfs/dbraw/zinc/06/48/40/357064840.db2.gz DJKXKKPLZIBGTK-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000389901594 357064866 /nfs/dbraw/zinc/06/48/66/357064866.db2.gz DJKXKKPLZIBGTK-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[C@H]1C ZINC000389902039 711096937 /nfs/dbraw/zinc/09/69/37/711096937.db2.gz CURHEGVJWWLHKC-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@H]1C ZINC000389902040 711097549 /nfs/dbraw/zinc/09/75/49/711097549.db2.gz CURHEGVJWWLHKC-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[C@@H]1C ZINC000389902041 711096996 /nfs/dbraw/zinc/09/69/96/711096996.db2.gz CURHEGVJWWLHKC-OBJOEFQTSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000389902043 711097115 /nfs/dbraw/zinc/09/71/15/711097115.db2.gz CURHEGVJWWLHKC-SGMGOOAPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000389902786 357065001 /nfs/dbraw/zinc/06/50/01/357065001.db2.gz FFOLQFZLWUYEKL-BZPMIXESSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000389902787 357064994 /nfs/dbraw/zinc/06/49/94/357064994.db2.gz FFOLQFZLWUYEKL-OUCADQQQSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000389902788 357064907 /nfs/dbraw/zinc/06/49/07/357064907.db2.gz FFOLQFZLWUYEKL-SCRDCRAPSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C[C@H]1C[C@H]1C ZINC000389902790 357064782 /nfs/dbraw/zinc/06/47/82/357064782.db2.gz FFOLQFZLWUYEKL-YRGRVCCFSA-N 1 0 209.377 3.591 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCSC ZINC000389902975 711097175 /nfs/dbraw/zinc/09/71/75/711097175.db2.gz FHLCICOWKGJJSD-AVGNSLFASA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCSC ZINC000389902977 711097616 /nfs/dbraw/zinc/09/76/16/711097616.db2.gz FHLCICOWKGJJSD-RWMBFGLXSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CCSC ZINC000389902980 711097009 /nfs/dbraw/zinc/09/70/09/711097009.db2.gz FHLCICOWKGJJSD-XQQFMLRXSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCSC ZINC000389902983 711097314 /nfs/dbraw/zinc/09/73/14/711097314.db2.gz FHLCICOWKGJJSD-YNEHKIRRSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000389904444 357064946 /nfs/dbraw/zinc/06/49/46/357064946.db2.gz GBWWPMNSUYWKPL-CHWSQXEVSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000389904445 357064878 /nfs/dbraw/zinc/06/48/78/357064878.db2.gz GBWWPMNSUYWKPL-OLZOCXBDSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000389904446 357064847 /nfs/dbraw/zinc/06/48/47/357064847.db2.gz GBWWPMNSUYWKPL-QWHCGFSZSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000389904447 357064763 /nfs/dbraw/zinc/06/47/63/357064763.db2.gz GBWWPMNSUYWKPL-STQMWFEESA-N 1 0 209.377 3.900 20 0 BHADRO CCC(CC)CN[C@@H](C(C)C)C(F)(F)F ZINC000389904591 357064874 /nfs/dbraw/zinc/06/48/74/357064874.db2.gz GHAPKKJJBIKDAP-JTQLQIEISA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000389906074 711097558 /nfs/dbraw/zinc/09/75/58/711097558.db2.gz HAUOYIDFRZJQEN-IJLUTSLNSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000389906075 711097778 /nfs/dbraw/zinc/09/77/78/711097778.db2.gz HAUOYIDFRZJQEN-QJPTWQEYSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000389906077 711097372 /nfs/dbraw/zinc/09/73/72/711097372.db2.gz HAUOYIDFRZJQEN-TUAOUCFPSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000389906079 711097011 /nfs/dbraw/zinc/09/70/11/711097011.db2.gz HAUOYIDFRZJQEN-UTUOFQBUSA-N 1 0 223.385 3.896 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]CC1(F)CC1 ZINC000389907567 357065931 /nfs/dbraw/zinc/06/59/31/357065931.db2.gz HPAGWZPJMZUXQR-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]CC1(F)CC1 ZINC000389907568 357066080 /nfs/dbraw/zinc/06/60/80/357066080.db2.gz HPAGWZPJMZUXQR-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CSC1(C[NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000389907591 357065753 /nfs/dbraw/zinc/06/57/53/357065753.db2.gz HPJPYHAQQNWAKJ-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389907886 357065638 /nfs/dbraw/zinc/06/56/38/357065638.db2.gz HWSWFKUFGQLYJT-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389907889 357065700 /nfs/dbraw/zinc/06/57/00/357065700.db2.gz HWSWFKUFGQLYJT-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](SC)C(C)(C)C ZINC000389907891 357065634 /nfs/dbraw/zinc/06/56/34/357065634.db2.gz HWSWFKUFGQLYJT-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](SC)C(C)(C)C ZINC000389907893 357065626 /nfs/dbraw/zinc/06/56/26/357065626.db2.gz HWSWFKUFGQLYJT-WOPDTQHZSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000389908458 357065613 /nfs/dbraw/zinc/06/56/13/357065613.db2.gz IBMKUIKSNPRYGY-GFCCVEGCSA-N 1 0 205.345 3.698 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000389908460 357065685 /nfs/dbraw/zinc/06/56/85/357065685.db2.gz IBMKUIKSNPRYGY-LBPRGKRZSA-N 1 0 205.345 3.698 20 0 BHADRO CCCCCC[NH2+]C1CCC(F)(F)CC1 ZINC000389909611 711097445 /nfs/dbraw/zinc/09/74/45/711097445.db2.gz BJDCLGHTZYGTDD-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO CCCC[C@H]([NH2+]CCC1CC1)C1CCC1 ZINC000389910132 357064488 /nfs/dbraw/zinc/06/44/88/357064488.db2.gz JGVRGMBZYIUNBB-AWEZNQCLSA-N 1 0 209.377 3.735 20 0 BHADRO CCCC[C@@H]([NH2+]CCC1CC1)C1CCC1 ZINC000389910135 357064266 /nfs/dbraw/zinc/06/42/66/357064266.db2.gz JGVRGMBZYIUNBB-CQSZACIVSA-N 1 0 209.377 3.735 20 0 BHADRO CCCc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000389910167 357064300 /nfs/dbraw/zinc/06/43/00/357064300.db2.gz ITKSCFUOYPVTBE-GFCCVEGCSA-N 1 0 205.345 3.527 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000389910168 357064287 /nfs/dbraw/zinc/06/42/87/357064287.db2.gz ITKSCFUOYPVTBE-LBPRGKRZSA-N 1 0 205.345 3.527 20 0 BHADRO CC(C)(CF)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000389910405 357064458 /nfs/dbraw/zinc/06/44/58/357064458.db2.gz IXERBMRZGFANCY-LLVKDONJSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)(CF)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000389910406 357064340 /nfs/dbraw/zinc/06/43/40/357064340.db2.gz IXERBMRZGFANCY-NSHDSACASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H](NCc1csc2ccccc12)C(F)F ZINC000389910552 398148617 /nfs/dbraw/zinc/14/86/17/398148617.db2.gz JKAYAFSTUSQHOG-MRVPVSSYSA-N 1 0 241.306 3.645 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccs1 ZINC000389910563 357064016 /nfs/dbraw/zinc/06/40/16/357064016.db2.gz JBIPYGAEALMYGW-CMPLNLGQSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccs1 ZINC000389910565 357064116 /nfs/dbraw/zinc/06/41/16/357064116.db2.gz JBIPYGAEALMYGW-JQWIXIFHSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccs1 ZINC000389910567 357064594 /nfs/dbraw/zinc/06/45/94/357064594.db2.gz JBIPYGAEALMYGW-PWSUYJOCSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccs1 ZINC000389910571 357064095 /nfs/dbraw/zinc/06/40/95/357064095.db2.gz JBIPYGAEALMYGW-ZYHUDNBSSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H](NCc1csc2ccccc12)C(F)F ZINC000389910589 398148665 /nfs/dbraw/zinc/14/86/65/398148665.db2.gz JKAYAFSTUSQHOG-QMMMGPOBSA-N 1 0 241.306 3.645 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000389912268 357066643 /nfs/dbraw/zinc/06/66/43/357066643.db2.gz JTMZUPLDTPCQJI-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000389912269 357066623 /nfs/dbraw/zinc/06/66/23/357066623.db2.gz JTMZUPLDTPCQJI-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000389912270 357066602 /nfs/dbraw/zinc/06/66/02/357066602.db2.gz JTMZUPLDTPCQJI-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000389912271 357066617 /nfs/dbraw/zinc/06/66/17/357066617.db2.gz JTMZUPLDTPCQJI-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000389914732 357066582 /nfs/dbraw/zinc/06/65/82/357066582.db2.gz KRYIIIFDGNEXKP-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000389915038 357066600 /nfs/dbraw/zinc/06/66/00/357066600.db2.gz KRYIIIFDGNEXKP-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000389915039 357066591 /nfs/dbraw/zinc/06/65/91/357066591.db2.gz KRYIIIFDGNEXKP-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C(C)(C)C ZINC000389915040 357066521 /nfs/dbraw/zinc/06/65/21/357066521.db2.gz KRYIIIFDGNEXKP-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000389920792 538008851 /nfs/dbraw/zinc/00/88/51/538008851.db2.gz QZFMKNSXHMPPBA-NXEZZACHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000389920793 538008958 /nfs/dbraw/zinc/00/89/58/538008958.db2.gz QZFMKNSXHMPPBA-UWVGGRQHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000389920795 538008868 /nfs/dbraw/zinc/00/88/68/538008868.db2.gz QZFMKNSXHMPPBA-VHSXEESVSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000389920797 537919763 /nfs/dbraw/zinc/91/97/63/537919763.db2.gz QZFMKNSXHMPPBA-ZJUUUORDSA-N 1 0 226.751 3.574 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000389922751 357068585 /nfs/dbraw/zinc/06/85/85/357068585.db2.gz GLEVGVCTAKQMBQ-LLVKDONJSA-N 1 0 239.309 3.915 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000389922752 357068629 /nfs/dbraw/zinc/06/86/29/357068629.db2.gz GLEVGVCTAKQMBQ-NSHDSACASA-N 1 0 239.309 3.915 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H](F)CC)C1CCC1 ZINC000389923426 357068528 /nfs/dbraw/zinc/06/85/28/357068528.db2.gz UFSNXHFNPJTTOF-CHWSQXEVSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H](F)CC)C1CCC1 ZINC000389923427 357068699 /nfs/dbraw/zinc/06/86/99/357068699.db2.gz UFSNXHFNPJTTOF-OLZOCXBDSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H](F)CC)C1CCC1 ZINC000389923428 357068553 /nfs/dbraw/zinc/06/85/53/357068553.db2.gz UFSNXHFNPJTTOF-QWHCGFSZSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H](F)CC)C1CCC1 ZINC000389923430 357068479 /nfs/dbraw/zinc/06/84/79/357068479.db2.gz UFSNXHFNPJTTOF-STQMWFEESA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389923471 357068788 /nfs/dbraw/zinc/06/87/88/357068788.db2.gz UJESOTLFDRSAIA-CABCVRRESA-N 1 0 249.398 3.760 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389923866 357068692 /nfs/dbraw/zinc/06/86/92/357068692.db2.gz UJESOTLFDRSAIA-GJZGRUSLSA-N 1 0 249.398 3.760 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389923867 357068716 /nfs/dbraw/zinc/06/87/16/357068716.db2.gz UJESOTLFDRSAIA-HUUCEWRRSA-N 1 0 249.398 3.760 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389923868 357068636 /nfs/dbraw/zinc/06/86/36/357068636.db2.gz UJESOTLFDRSAIA-LSDHHAIUSA-N 1 0 249.398 3.760 20 0 BHADRO CCCCC[C@@H]([NH2+]CCCF)C(C)(C)C ZINC000389925109 711098395 /nfs/dbraw/zinc/09/83/95/711098395.db2.gz VJLCECUJFHQJSB-GFCCVEGCSA-N 1 0 217.372 3.931 20 0 BHADRO CCCCC[C@H]([NH2+]CCCF)C(C)(C)C ZINC000389925112 711098738 /nfs/dbraw/zinc/09/87/38/711098738.db2.gz VJLCECUJFHQJSB-LBPRGKRZSA-N 1 0 217.372 3.931 20 0 BHADRO CC[C@@H]([NH2+]CCC1(C)CC1)c1cccs1 ZINC000389933402 357069810 /nfs/dbraw/zinc/06/98/10/357069810.db2.gz LZRJYVXCHTWBAF-LLVKDONJSA-N 1 0 223.385 3.979 20 0 BHADRO CC[C@H]([NH2+]CCC1(C)CC1)c1cccs1 ZINC000389933403 357069414 /nfs/dbraw/zinc/06/94/14/357069414.db2.gz LZRJYVXCHTWBAF-NSHDSACASA-N 1 0 223.385 3.979 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CCF)c1cccs1 ZINC000389935021 357071134 /nfs/dbraw/zinc/07/11/34/357071134.db2.gz MQIFFFWDXMUKIV-GFCCVEGCSA-N 1 0 229.364 3.785 20 0 BHADRO CCC(CC)[C@H]([NH2+]CCF)c1cccs1 ZINC000389935025 357071089 /nfs/dbraw/zinc/07/10/89/357071089.db2.gz MQIFFFWDXMUKIV-LBPRGKRZSA-N 1 0 229.364 3.785 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000389936907 711098416 /nfs/dbraw/zinc/09/84/16/711098416.db2.gz NGRCQMPYIOJWAW-CYZMBNFOSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000389936908 711098085 /nfs/dbraw/zinc/09/80/85/711098085.db2.gz NGRCQMPYIOJWAW-DRZSPHRISA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000389936910 711099063 /nfs/dbraw/zinc/09/90/63/711099063.db2.gz NGRCQMPYIOJWAW-UHTWSYAYSA-N 1 0 223.385 3.833 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000389936911 711098279 /nfs/dbraw/zinc/09/82/79/711098279.db2.gz NGRCQMPYIOJWAW-WCFLWFBJSA-N 1 0 223.385 3.833 20 0 BHADRO Cc1cc(C[NH2+]C2CCC(F)(F)CC2)cs1 ZINC000389937087 357070975 /nfs/dbraw/zinc/07/09/75/357070975.db2.gz KSKCMPYESKHMFM-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO CCC1CC([NH2+]C[C@@H](SC)C(C)(C)C)C1 ZINC000389938200 357071020 /nfs/dbraw/zinc/07/10/20/357071020.db2.gz NTIPEUSPNBQDDA-HTAVTVPLSA-N 1 0 229.433 3.542 20 0 BHADRO CCC1CC([NH2+]C[C@H](SC)C(C)(C)C)C1 ZINC000389938201 357070803 /nfs/dbraw/zinc/07/08/03/357070803.db2.gz NTIPEUSPNBQDDA-MCIGGMRASA-N 1 0 229.433 3.542 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000389941818 711100146 /nfs/dbraw/zinc/10/01/46/711100146.db2.gz OVFSGWJKAPGEGT-KPPDAEKUSA-N 1 0 219.319 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000389941819 712691617 /nfs/dbraw/zinc/69/16/17/712691617.db2.gz OVFSGWJKAPGEGT-WHXUTIOJSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000389944863 539019081 /nfs/dbraw/zinc/01/90/81/539019081.db2.gz QEAKVVXKDSKZNW-KBPBESRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000389944865 539018983 /nfs/dbraw/zinc/01/89/83/539018983.db2.gz QEAKVVXKDSKZNW-KGLIPLIRSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000389944867 539018765 /nfs/dbraw/zinc/01/87/65/539018765.db2.gz QEAKVVXKDSKZNW-UONOGXRCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000389944869 539018618 /nfs/dbraw/zinc/01/86/18/539018618.db2.gz QEAKVVXKDSKZNW-ZIAGYGMSSA-N 1 0 209.377 3.591 20 0 BHADRO CC1(C[NH2+]C2CCC(F)(F)CC2)CCCC1 ZINC000389948382 398153847 /nfs/dbraw/zinc/15/38/47/398153847.db2.gz ANQZOTGLNVPNNC-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccsc1 ZINC000389948774 397999802 /nfs/dbraw/zinc/99/98/02/397999802.db2.gz RNOWMNJZTVAYOJ-NEPJUHHUSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC000389948780 397999825 /nfs/dbraw/zinc/99/98/25/397999825.db2.gz RNOWMNJZTVAYOJ-NWDGAFQWSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1ccsc1 ZINC000389948787 397999608 /nfs/dbraw/zinc/99/96/08/397999608.db2.gz RNOWMNJZTVAYOJ-RYUDHWBXSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC000389948793 397999550 /nfs/dbraw/zinc/99/95/50/397999550.db2.gz RNOWMNJZTVAYOJ-VXGBXAGGSA-N 1 0 225.401 3.705 20 0 BHADRO CCCC(C)(C)[NH2+]C/C=C\c1ccccc1 ZINC000389950329 357072529 /nfs/dbraw/zinc/07/25/29/357072529.db2.gz STLYNSMGJSDGGW-FLIBITNWSA-N 1 0 217.356 3.868 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000389950731 357072527 /nfs/dbraw/zinc/07/25/27/357072527.db2.gz UKVXVFYAKLFTBF-BIRHUZIMSA-N 1 0 217.356 3.724 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000389950732 357072493 /nfs/dbraw/zinc/07/24/93/357072493.db2.gz UKVXVFYAKLFTBF-ZWXCPPHNSA-N 1 0 217.356 3.724 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389950802 352750371 /nfs/dbraw/zinc/75/03/71/352750371.db2.gz SCOZLOPWUOVFEW-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389950803 357072405 /nfs/dbraw/zinc/07/24/05/357072405.db2.gz SCOZLOPWUOVFEW-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC(F)(F)C1 ZINC000389950804 357072541 /nfs/dbraw/zinc/07/25/41/357072541.db2.gz SCOZLOPWUOVFEW-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000389950805 357072354 /nfs/dbraw/zinc/07/23/54/357072354.db2.gz SCOZLOPWUOVFEW-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000389952989 357072596 /nfs/dbraw/zinc/07/25/96/357072596.db2.gz SVFJCTLFUQVBOX-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000389952990 357072339 /nfs/dbraw/zinc/07/23/39/357072339.db2.gz SVFJCTLFUQVBOX-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)(C)CC[NH2+]C/C=C\c1ccccc1 ZINC000389953167 357072534 /nfs/dbraw/zinc/07/25/34/357072534.db2.gz XLOCLQMXZKCMPH-YFHOEESVSA-N 1 0 217.356 3.726 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000389953754 357072491 /nfs/dbraw/zinc/07/24/91/357072491.db2.gz SVFJCTLFUQVBOX-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000389953761 357072300 /nfs/dbraw/zinc/07/23/00/357072300.db2.gz SVFJCTLFUQVBOX-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000389955192 357072895 /nfs/dbraw/zinc/07/28/95/357072895.db2.gz UCGSIXXAOVFUGQ-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000389955197 357073060 /nfs/dbraw/zinc/07/30/60/357073060.db2.gz UCGSIXXAOVFUGQ-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000389955201 357072735 /nfs/dbraw/zinc/07/27/35/357072735.db2.gz UCGSIXXAOVFUGQ-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000389955205 357072864 /nfs/dbraw/zinc/07/28/64/357072864.db2.gz UCGSIXXAOVFUGQ-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000389957819 357073223 /nfs/dbraw/zinc/07/32/23/357073223.db2.gz UWUXVGXNAJOXMO-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000389957823 357073057 /nfs/dbraw/zinc/07/30/57/357073057.db2.gz UWUXVGXNAJOXMO-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389961515 357074440 /nfs/dbraw/zinc/07/44/40/357074440.db2.gz IQDXPUNHNBQAHU-CABCVRRESA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389961516 357074388 /nfs/dbraw/zinc/07/43/88/357074388.db2.gz IQDXPUNHNBQAHU-GJZGRUSLSA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389961517 357074600 /nfs/dbraw/zinc/07/46/00/357074600.db2.gz IQDXPUNHNBQAHU-HUUCEWRRSA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389961518 357074755 /nfs/dbraw/zinc/07/47/55/357074755.db2.gz IQDXPUNHNBQAHU-LSDHHAIUSA-N 1 0 249.398 3.618 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000389962344 711100902 /nfs/dbraw/zinc/10/09/02/711100902.db2.gz WFUNPAONKXAXLD-GFCCVEGCSA-N 1 0 215.356 3.827 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000389962345 711101039 /nfs/dbraw/zinc/10/10/39/711101039.db2.gz WFUNPAONKXAXLD-LBPRGKRZSA-N 1 0 215.356 3.827 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000389963452 371183661 /nfs/dbraw/zinc/18/36/61/371183661.db2.gz WPDZTTWLYGHCCC-CFHLNLSMSA-N 1 0 203.329 3.530 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000389963453 371183472 /nfs/dbraw/zinc/18/34/72/371183472.db2.gz WPDZTTWLYGHCCC-URWSZGRFSA-N 1 0 203.329 3.530 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000389965587 357075297 /nfs/dbraw/zinc/07/52/97/357075297.db2.gz UTAXPMKXGXGCND-UHFFFAOYSA-N 1 0 249.398 3.618 20 0 BHADRO CCCCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000389965843 357075346 /nfs/dbraw/zinc/07/53/46/357075346.db2.gz VHHBARIGPSFVFT-UHFFFAOYSA-N 1 0 249.398 3.762 20 0 BHADRO C[C@@H](CCOCc1ccccc1)[NH2+]C1CCCC1 ZINC000389966872 357073815 /nfs/dbraw/zinc/07/38/15/357073815.db2.gz NRIGJNAWZKFNPC-AWEZNQCLSA-N 1 0 247.382 3.514 20 0 BHADRO C[C@H](CCOCc1ccccc1)[NH2+]C1CCCC1 ZINC000389966873 357073801 /nfs/dbraw/zinc/07/38/01/357073801.db2.gz NRIGJNAWZKFNPC-CQSZACIVSA-N 1 0 247.382 3.514 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389967497 711100967 /nfs/dbraw/zinc/10/09/67/711100967.db2.gz OSDUKMYCZSJGEO-HNNXBMFYSA-N 1 0 249.398 3.618 20 0 BHADRO CC(C)CC[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389967498 711101141 /nfs/dbraw/zinc/10/11/41/711101141.db2.gz OSDUKMYCZSJGEO-OAHLLOKOSA-N 1 0 249.398 3.618 20 0 BHADRO CSCC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000389967769 351410811 /nfs/dbraw/zinc/41/08/11/351410811.db2.gz YHNXAPSJEBTBGD-CYBMUJFWSA-N 1 0 229.433 3.712 20 0 BHADRO CSCC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000389967771 351408592 /nfs/dbraw/zinc/40/85/92/351408592.db2.gz YHNXAPSJEBTBGD-ZDUSSCGKSA-N 1 0 229.433 3.712 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000389967815 539018944 /nfs/dbraw/zinc/01/89/44/539018944.db2.gz YJJARWBMZGMGEA-MQYQWHSLSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C(C)C ZINC000389967816 539019157 /nfs/dbraw/zinc/01/91/57/539019157.db2.gz YJJARWBMZGMGEA-RFGFWPKPSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000389967817 539019350 /nfs/dbraw/zinc/01/93/50/539019350.db2.gz YJJARWBMZGMGEA-YIYPIFLZSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000389967818 539019488 /nfs/dbraw/zinc/01/94/88/539019488.db2.gz YJJARWBMZGMGEA-ZOBORPQBSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C)oc1C ZINC000389968592 357073694 /nfs/dbraw/zinc/07/36/94/357073694.db2.gz YPCSZUUTYCLURY-JTQLQIEISA-N 1 0 209.333 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C)oc1C ZINC000389968594 357073918 /nfs/dbraw/zinc/07/39/18/357073918.db2.gz YPCSZUUTYCLURY-SNVBAGLBSA-N 1 0 209.333 3.593 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000389970309 357075247 /nfs/dbraw/zinc/07/52/47/357075247.db2.gz ZROMSSQCIJTWFU-NEPJUHHUSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389970310 357075186 /nfs/dbraw/zinc/07/51/86/357075186.db2.gz ZROMSSQCIJTWFU-NWDGAFQWSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000389970311 357075173 /nfs/dbraw/zinc/07/51/73/357075173.db2.gz ZROMSSQCIJTWFU-RYUDHWBXSA-N 1 0 231.449 3.932 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000389970312 357075153 /nfs/dbraw/zinc/07/51/53/357075153.db2.gz ZROMSSQCIJTWFU-VXGBXAGGSA-N 1 0 231.449 3.932 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(F)(F)CC1)C(C)C ZINC000389970914 357075924 /nfs/dbraw/zinc/07/59/24/357075924.db2.gz ZXELYRBPRIBQRG-LLVKDONJSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)C(C)C ZINC000389970916 357075699 /nfs/dbraw/zinc/07/56/99/357075699.db2.gz ZXELYRBPRIBQRG-NSHDSACASA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C(C)(C)C(F)F ZINC000389971320 539019504 /nfs/dbraw/zinc/01/95/04/539019504.db2.gz CDTTUPVBJSRHPX-NXEZZACHSA-N 1 0 221.335 3.835 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C(C)(C)C(F)F ZINC000389971322 539019022 /nfs/dbraw/zinc/01/90/22/539019022.db2.gz CDTTUPVBJSRHPX-UWVGGRQHSA-N 1 0 221.335 3.835 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C(C)(C)C(F)F ZINC000389971324 539019159 /nfs/dbraw/zinc/01/91/59/539019159.db2.gz CDTTUPVBJSRHPX-VHSXEESVSA-N 1 0 221.335 3.835 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C(C)(C)C(F)F ZINC000389971325 537921755 /nfs/dbraw/zinc/92/17/55/537921755.db2.gz CDTTUPVBJSRHPX-ZJUUUORDSA-N 1 0 221.335 3.835 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@@H]2CC)s1 ZINC000389972034 357075687 /nfs/dbraw/zinc/07/56/87/357075687.db2.gz CLEUOUBMSJKWNM-GWCFXTLKSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H]2CC)s1 ZINC000389972035 357075480 /nfs/dbraw/zinc/07/54/80/357075480.db2.gz CLEUOUBMSJKWNM-GXFFZTMASA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H]2CC)s1 ZINC000389972134 357076160 /nfs/dbraw/zinc/07/61/60/357076160.db2.gz CLEUOUBMSJKWNM-MFKMUULPSA-N 1 0 223.385 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H]2CC)s1 ZINC000389972136 357076054 /nfs/dbraw/zinc/07/60/54/357076054.db2.gz CLEUOUBMSJKWNM-ZWNOBZJWSA-N 1 0 223.385 3.589 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCSCC(C)C ZINC000389972691 357076139 /nfs/dbraw/zinc/07/61/39/357076139.db2.gz CVKWHKSIHKMCPN-CHWSQXEVSA-N 1 0 231.449 3.790 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCSCC(C)C ZINC000389972698 357076125 /nfs/dbraw/zinc/07/61/25/357076125.db2.gz CVKWHKSIHKMCPN-OLZOCXBDSA-N 1 0 231.449 3.790 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCSCC(C)C ZINC000389972704 357076157 /nfs/dbraw/zinc/07/61/57/357076157.db2.gz CVKWHKSIHKMCPN-QWHCGFSZSA-N 1 0 231.449 3.790 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCSCC(C)C ZINC000389972708 357075502 /nfs/dbraw/zinc/07/55/02/357075502.db2.gz CVKWHKSIHKMCPN-STQMWFEESA-N 1 0 231.449 3.790 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000389972930 711102070 /nfs/dbraw/zinc/10/20/70/711102070.db2.gz CWTROZQWTJCEOU-FPMFFAJLSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000389972931 711102499 /nfs/dbraw/zinc/10/24/99/711102499.db2.gz CWTROZQWTJCEOU-IACUBPJLSA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000389972932 711102135 /nfs/dbraw/zinc/10/21/35/711102135.db2.gz CWTROZQWTJCEOU-UBHSHLNASA-N 1 0 209.377 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000389972933 711102300 /nfs/dbraw/zinc/10/23/00/711102300.db2.gz CWTROZQWTJCEOU-YUTCNCBUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389974118 357076591 /nfs/dbraw/zinc/07/65/91/357076591.db2.gz ZYDUGABFDOSSGG-AWEZNQCLSA-N 1 0 249.398 3.760 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389974119 357076870 /nfs/dbraw/zinc/07/68/70/357076870.db2.gz ZYDUGABFDOSSGG-CQSZACIVSA-N 1 0 249.398 3.760 20 0 BHADRO CC(C)(C[NH2+]CC1CC1)C1=CCCCC1 ZINC000389975272 357076587 /nfs/dbraw/zinc/07/65/87/357076587.db2.gz FAKFNZVGKPLEAM-UHFFFAOYSA-N 1 0 207.361 3.513 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000389976576 357076762 /nfs/dbraw/zinc/07/67/62/357076762.db2.gz FZQOOCCOBDNJAR-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000389976577 357076668 /nfs/dbraw/zinc/07/66/68/357076668.db2.gz FZQOOCCOBDNJAR-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000389976578 357076674 /nfs/dbraw/zinc/07/66/74/357076674.db2.gz FZQOOCCOBDNJAR-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000389976579 357076937 /nfs/dbraw/zinc/07/69/37/357076937.db2.gz FZQOOCCOBDNJAR-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CSC[C@@H]1C ZINC000389977269 357076847 /nfs/dbraw/zinc/07/68/47/357076847.db2.gz GMPQRVGTNNDHPB-CYDGBPFRSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CSC[C@H]1C ZINC000389977270 357076941 /nfs/dbraw/zinc/07/69/41/357076941.db2.gz GMPQRVGTNNDHPB-QNWHQSFQSA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CSC[C@H]1C ZINC000389977271 357077017 /nfs/dbraw/zinc/07/70/17/357077017.db2.gz GMPQRVGTNNDHPB-RNJOBUHISA-N 1 0 229.433 3.542 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000389977272 357076617 /nfs/dbraw/zinc/07/66/17/357076617.db2.gz GMPQRVGTNNDHPB-ZDEQEGDKSA-N 1 0 229.433 3.542 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000389978550 357077056 /nfs/dbraw/zinc/07/70/56/357077056.db2.gz HDEIMLVWCKHBNP-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](C)C(F)(F)F ZINC000389978551 357077778 /nfs/dbraw/zinc/07/77/78/357077778.db2.gz HDEIMLVWCKHBNP-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000389978567 357077887 /nfs/dbraw/zinc/07/78/87/357077887.db2.gz HDXLDMRDTYPAOY-AXFHLTTASA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000389978568 357077700 /nfs/dbraw/zinc/07/77/00/357077700.db2.gz HDXLDMRDTYPAOY-DCAQKATOSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000389978569 357077265 /nfs/dbraw/zinc/07/72/65/357077265.db2.gz HDXLDMRDTYPAOY-GARJFASQSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000389978570 357077667 /nfs/dbraw/zinc/07/76/67/357077667.db2.gz HDXLDMRDTYPAOY-HBNTYKKESA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000389978898 357077352 /nfs/dbraw/zinc/07/73/52/357077352.db2.gz HFQVKBXTOPMXPX-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000389978899 357077262 /nfs/dbraw/zinc/07/72/62/357077262.db2.gz HFQVKBXTOPMXPX-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000389978900 357077314 /nfs/dbraw/zinc/07/73/14/357077314.db2.gz HFQVKBXTOPMXPX-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000389978901 357077373 /nfs/dbraw/zinc/07/73/73/357077373.db2.gz HFQVKBXTOPMXPX-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000389980770 357078367 /nfs/dbraw/zinc/07/83/67/357078367.db2.gz XLSWWWCARBEUGC-UHFFFAOYSA-N 1 0 239.309 3.663 20 0 BHADRO CC(C)C([NH2+]Cc1cnc(Cl)s1)C(C)C ZINC000389981008 711102497 /nfs/dbraw/zinc/10/24/97/711102497.db2.gz IXZGELTXCDQUQA-UHFFFAOYSA-N 1 0 246.807 3.567 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000389983064 357078406 /nfs/dbraw/zinc/07/84/06/357078406.db2.gz KHRJXXVXHYJBME-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000389983065 357078683 /nfs/dbraw/zinc/07/86/83/357078683.db2.gz KHRJXXVXHYJBME-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000389983066 357078291 /nfs/dbraw/zinc/07/82/91/357078291.db2.gz KHRJXXVXHYJBME-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000389983067 357078508 /nfs/dbraw/zinc/07/85/08/357078508.db2.gz KHRJXXVXHYJBME-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000389983926 357079415 /nfs/dbraw/zinc/07/94/15/357079415.db2.gz KVLBNRLHPNGZRT-UHFFFAOYSA-N 1 0 205.345 3.519 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000389984664 357079343 /nfs/dbraw/zinc/07/93/43/357079343.db2.gz LILIDUDXTQAMBY-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000389984665 357079089 /nfs/dbraw/zinc/07/90/89/357079089.db2.gz LILIDUDXTQAMBY-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000389984666 357079388 /nfs/dbraw/zinc/07/93/88/357079388.db2.gz LILIDUDXTQAMBY-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000389984667 357079054 /nfs/dbraw/zinc/07/90/54/357079054.db2.gz LILIDUDXTQAMBY-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)C1CCCCC1 ZINC000389985101 357079298 /nfs/dbraw/zinc/07/92/98/357079298.db2.gz LQXJFZPGMJMMEG-AAEUAGOBSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)C1CCCCC1 ZINC000389985108 357079051 /nfs/dbraw/zinc/07/90/51/357079051.db2.gz LQXJFZPGMJMMEG-DGCLKSJQSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)C1CCCCC1 ZINC000389985110 357079036 /nfs/dbraw/zinc/07/90/36/357079036.db2.gz LQXJFZPGMJMMEG-WCQYABFASA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)C1CCCCC1 ZINC000389985112 357079083 /nfs/dbraw/zinc/07/90/83/357079083.db2.gz LQXJFZPGMJMMEG-YPMHNXCESA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)COCc1ccccc1 ZINC000389988289 357078565 /nfs/dbraw/zinc/07/85/65/357078565.db2.gz DFZDKTMYYHWFNE-AWEZNQCLSA-N 1 0 249.398 3.618 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)COCc1ccccc1 ZINC000389988291 357078390 /nfs/dbraw/zinc/07/83/90/357078390.db2.gz DFZDKTMYYHWFNE-CQSZACIVSA-N 1 0 249.398 3.618 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCCSC ZINC000389989168 357078264 /nfs/dbraw/zinc/07/82/64/357078264.db2.gz NLQQSNVHBKCXRD-CHWSQXEVSA-N 1 0 231.449 3.934 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCCSC ZINC000389989169 357078513 /nfs/dbraw/zinc/07/85/13/357078513.db2.gz NLQQSNVHBKCXRD-OLZOCXBDSA-N 1 0 231.449 3.934 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCCSC ZINC000389989170 357078298 /nfs/dbraw/zinc/07/82/98/357078298.db2.gz NLQQSNVHBKCXRD-QWHCGFSZSA-N 1 0 231.449 3.934 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCCSC ZINC000389989171 357078547 /nfs/dbraw/zinc/07/85/47/357078547.db2.gz NLQQSNVHBKCXRD-STQMWFEESA-N 1 0 231.449 3.934 20 0 BHADRO CCCC[NH2+]CCCSc1ccccc1 ZINC000389990039 711101684 /nfs/dbraw/zinc/10/16/84/711101684.db2.gz NXMHXZMAYMFYSQ-UHFFFAOYSA-N 1 0 223.385 3.559 20 0 BHADRO FC1(F)CCC([NH2+]CCC2CCCC2)CC1 ZINC000389993507 398154752 /nfs/dbraw/zinc/15/47/52/398154752.db2.gz GDXSVYXXJUOWNX-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000389993629 357080442 /nfs/dbraw/zinc/08/04/42/357080442.db2.gz PLYREJQMJNFKGU-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000389993631 357080383 /nfs/dbraw/zinc/08/03/83/357080383.db2.gz PLYREJQMJNFKGU-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000389995978 357081272 /nfs/dbraw/zinc/08/12/72/357081272.db2.gz QLUFUNXDKXNBBU-MDZLAQPJSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000389995979 357081344 /nfs/dbraw/zinc/08/13/44/357081344.db2.gz QLUFUNXDKXNBBU-NQBHXWOUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000389995980 357081373 /nfs/dbraw/zinc/08/13/73/357081373.db2.gz QLUFUNXDKXNBBU-NTZNESFSSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000389995981 357081353 /nfs/dbraw/zinc/08/13/53/357081353.db2.gz QLUFUNXDKXNBBU-WZRBSPASSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)(C)CC[NH2+]C(C)(C)CC(F)(F)F ZINC000389998702 539019469 /nfs/dbraw/zinc/01/94/69/539019469.db2.gz RKFXXHKOSDREGM-UHFFFAOYSA-N 1 0 225.298 3.743 20 0 BHADRO Cl/C=C\C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000389999717 711103454 /nfs/dbraw/zinc/10/34/54/711103454.db2.gz RXRSGLYQQKYVGK-UQCOIBPSSA-N 1 0 242.149 3.671 20 0 BHADRO CCCCCC(C)(C)C[NH2+]CC1(F)CC1 ZINC000390000413 711103535 /nfs/dbraw/zinc/10/35/35/711103535.db2.gz SKLLUFKHUMGYQO-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)(CF)[NH2+]CCCC1CCCCC1 ZINC000390000560 323082937 /nfs/dbraw/zinc/08/29/37/323082937.db2.gz SPRSQAJQSHZCDX-UHFFFAOYSA-N 1 0 215.356 3.685 20 0 BHADRO CC(C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000390004760 259379075 /nfs/dbraw/zinc/37/90/75/259379075.db2.gz VVJUWXGJUILHTN-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)CCC1CC1 ZINC000390005722 259379039 /nfs/dbraw/zinc/37/90/39/259379039.db2.gz WMKKWQMKLYIJFJ-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCC1CC1 ZINC000390005723 259379054 /nfs/dbraw/zinc/37/90/54/259379054.db2.gz WMKKWQMKLYIJFJ-TXEJJXNPSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)CCC1CC1 ZINC000390005724 259379002 /nfs/dbraw/zinc/37/90/02/259379002.db2.gz WMKKWQMKLYIJFJ-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1Cl ZINC000390006631 711103041 /nfs/dbraw/zinc/10/30/41/711103041.db2.gz WYXZSUUJIHTDPC-YAPUSRSVSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1Cl ZINC000390006632 711103132 /nfs/dbraw/zinc/10/31/32/711103132.db2.gz WYXZSUUJIHTDPC-ZTHSNPKKSA-N 1 0 248.128 3.882 20 0 BHADRO C[C@H]([NH2+]C1CCC1)[C@@H](C)C1CCCCC1 ZINC000390007488 384796901 /nfs/dbraw/zinc/79/69/01/384796901.db2.gz XLFXZESQDJGAAD-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)[C@H](C)C1CCCCC1 ZINC000390007489 384795757 /nfs/dbraw/zinc/79/57/57/384795757.db2.gz XLFXZESQDJGAAD-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]C1CCC1)C1CCCCC1 ZINC000390007490 384795899 /nfs/dbraw/zinc/79/58/99/384795899.db2.gz XLFXZESQDJGAAD-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)[C@@H](C)C1CCCCC1 ZINC000390007491 384796166 /nfs/dbraw/zinc/79/61/66/384796166.db2.gz XLFXZESQDJGAAD-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000390007664 384796254 /nfs/dbraw/zinc/79/62/54/384796254.db2.gz XORWYZCFFVOBFE-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000390007665 384797448 /nfs/dbraw/zinc/79/74/48/384797448.db2.gz XORWYZCFFVOBFE-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000390007666 384797980 /nfs/dbraw/zinc/79/79/80/384797980.db2.gz XORWYZCFFVOBFE-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000390007667 384796955 /nfs/dbraw/zinc/79/69/55/384796955.db2.gz XORWYZCFFVOBFE-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CC(F)F ZINC000390009967 347219196 /nfs/dbraw/zinc/21/91/96/347219196.db2.gz YSMJNNGLEHQIAI-LLVKDONJSA-N 1 0 219.319 3.614 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CC(F)F ZINC000390009969 347219716 /nfs/dbraw/zinc/21/97/16/347219716.db2.gz YSMJNNGLEHQIAI-NSHDSACASA-N 1 0 219.319 3.614 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CC12CCCC2 ZINC000390010150 384802481 /nfs/dbraw/zinc/80/24/81/384802481.db2.gz YUBVIYXXFMNDQE-CHWSQXEVSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CC12CCCC2 ZINC000390010151 384803154 /nfs/dbraw/zinc/80/31/54/384803154.db2.gz YUBVIYXXFMNDQE-OLZOCXBDSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CC12CCCC2 ZINC000390010196 384804152 /nfs/dbraw/zinc/80/41/52/384804152.db2.gz YUBVIYXXFMNDQE-QWHCGFSZSA-N 1 0 209.377 3.878 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CC12CCCC2 ZINC000390010202 384802832 /nfs/dbraw/zinc/80/28/32/384802832.db2.gz YUBVIYXXFMNDQE-STQMWFEESA-N 1 0 209.377 3.878 20 0 BHADRO CCC1(C[NH2+]C2CCC(F)(F)CC2)CCC1 ZINC000390034269 398155629 /nfs/dbraw/zinc/15/56/29/398155629.db2.gz HKDSJYTXNLSKRJ-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CCc1ccc(C[NH2+]CCCC(C)(F)F)s1 ZINC000390045314 357084608 /nfs/dbraw/zinc/08/46/08/357084608.db2.gz BHHWPZUCNZNMBB-UHFFFAOYSA-N 1 0 247.354 3.836 20 0 BHADRO Cc1ccccc1C[NH2+]CCCC(C)(F)F ZINC000390048756 259379847 /nfs/dbraw/zinc/37/98/47/259379847.db2.gz FPEYSPYJYWWHRF-UHFFFAOYSA-N 1 0 227.298 3.520 20 0 BHADRO C[C@H]1CC([NH2+]C2CCC(F)(F)CC2)C[C@H](C)C1 ZINC000390049747 357084554 /nfs/dbraw/zinc/08/45/54/357084554.db2.gz MDJUXPHWHSRNSA-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)C[C@@H](C)C1 ZINC000390049748 357084567 /nfs/dbraw/zinc/08/45/67/357084567.db2.gz MDJUXPHWHSRNSA-PJXYFTJBSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC([NH2+]C2CCC(F)(F)CC2)C[C@@H](C)C1 ZINC000390049751 357084495 /nfs/dbraw/zinc/08/44/95/357084495.db2.gz MDJUXPHWHSRNSA-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000390056092 397877817 /nfs/dbraw/zinc/87/78/17/397877817.db2.gz AFTYNWKEJFUQQN-GHMZBOCLSA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000390056093 397878044 /nfs/dbraw/zinc/87/80/44/397878044.db2.gz AFTYNWKEJFUQQN-MNOVXSKESA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000390056094 397877950 /nfs/dbraw/zinc/87/79/50/397877950.db2.gz AFTYNWKEJFUQQN-QWRGUYRKSA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000390056095 397878058 /nfs/dbraw/zinc/87/80/58/397878058.db2.gz AFTYNWKEJFUQQN-WDEREUQCSA-N 1 0 237.309 3.909 20 0 BHADRO CC1CCC(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000390056958 397878928 /nfs/dbraw/zinc/87/89/28/397878928.db2.gz OOASVPSRCPZLDE-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000390063990 323083213 /nfs/dbraw/zinc/08/32/13/323083213.db2.gz XRKNFKSIIFVUCZ-UHFFFAOYSA-N 1 0 247.382 3.538 20 0 BHADRO CC(C)(C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000390066620 398157969 /nfs/dbraw/zinc/15/79/69/398157969.db2.gz RWSFQBBAKBSCFY-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO Cc1cc(C[NH2+]CCCC(C)(F)F)c(C)s1 ZINC000390071016 357082171 /nfs/dbraw/zinc/08/21/71/357082171.db2.gz KSPRHKQXIJMUQN-UHFFFAOYSA-N 1 0 247.354 3.890 20 0 BHADRO CC(F)(F)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000390075959 384317422 /nfs/dbraw/zinc/31/74/22/384317422.db2.gz TWVKAKBDJIOKIF-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C[C@@H]1C ZINC000390076335 323083420 /nfs/dbraw/zinc/08/34/20/323083420.db2.gz WZYPGNZDLFNOQM-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C[C@H]1C ZINC000390076336 323083400 /nfs/dbraw/zinc/08/34/00/323083400.db2.gz WZYPGNZDLFNOQM-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C[C@@H]1C ZINC000390076337 323083399 /nfs/dbraw/zinc/08/33/99/323083399.db2.gz WZYPGNZDLFNOQM-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C[C@H]1C ZINC000390076339 323083415 /nfs/dbraw/zinc/08/34/15/323083415.db2.gz WZYPGNZDLFNOQM-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000390077866 323083432 /nfs/dbraw/zinc/08/34/32/323083432.db2.gz YFIPHABJDOIQRC-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000390077868 323083378 /nfs/dbraw/zinc/08/33/78/323083378.db2.gz YFIPHABJDOIQRC-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000390077871 344871903 /nfs/dbraw/zinc/87/19/03/344871903.db2.gz YFIPHABJDOIQRC-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000390077873 323083444 /nfs/dbraw/zinc/08/34/44/323083444.db2.gz YFIPHABJDOIQRC-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000390078834 357082204 /nfs/dbraw/zinc/08/22/04/357082204.db2.gz AELDHHHYOYQCNW-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000390078835 357082546 /nfs/dbraw/zinc/08/25/46/357082546.db2.gz AELDHHHYOYQCNW-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000390079354 347239595 /nfs/dbraw/zinc/23/95/95/347239595.db2.gz ALVWZXFZUXEGPP-FQUUOJAGSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000390079359 347239838 /nfs/dbraw/zinc/23/98/38/347239838.db2.gz ALVWZXFZUXEGPP-IGQOVBAYSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000390079361 347239821 /nfs/dbraw/zinc/23/98/21/347239821.db2.gz ALVWZXFZUXEGPP-XDQVBPFNSA-N 1 0 229.383 3.927 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000390079362 323083446 /nfs/dbraw/zinc/08/34/46/323083446.db2.gz ALVWZXFZUXEGPP-XUXIUFHCSA-N 1 0 229.383 3.927 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000390079636 323083441 /nfs/dbraw/zinc/08/34/41/323083441.db2.gz YHLPYHRXGQVWPR-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000390079637 323083456 /nfs/dbraw/zinc/08/34/56/323083456.db2.gz YHLPYHRXGQVWPR-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000390079638 323083388 /nfs/dbraw/zinc/08/33/88/323083388.db2.gz YHLPYHRXGQVWPR-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000390079639 323083448 /nfs/dbraw/zinc/08/34/48/323083448.db2.gz YHLPYHRXGQVWPR-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)[C@@H](C)C1 ZINC000390080940 323083389 /nfs/dbraw/zinc/08/33/89/323083389.db2.gz BSHWITXLVPIBPI-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)[C@H](C)C1 ZINC000390080943 323083451 /nfs/dbraw/zinc/08/34/51/323083451.db2.gz BSHWITXLVPIBPI-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@H](C)C1 ZINC000390080948 323083431 /nfs/dbraw/zinc/08/34/31/323083431.db2.gz BSHWITXLVPIBPI-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@@H](C)C1 ZINC000390080952 323083408 /nfs/dbraw/zinc/08/34/08/323083408.db2.gz BSHWITXLVPIBPI-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC(C)(F)F ZINC000390082286 323083376 /nfs/dbraw/zinc/08/33/76/323083376.db2.gz CWKYOGATENFXML-GDNZZTSVSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC(C)(F)F ZINC000390082287 323083419 /nfs/dbraw/zinc/08/34/19/323083419.db2.gz CWKYOGATENFXML-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCC(C)(F)F ZINC000390082540 323083385 /nfs/dbraw/zinc/08/33/85/323083385.db2.gz CWKYOGATENFXML-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)C1CCCC1 ZINC000390082652 323083522 /nfs/dbraw/zinc/08/35/22/323083522.db2.gz DBTXZZDFAAZSHT-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)C1CCCC1 ZINC000390082653 323083574 /nfs/dbraw/zinc/08/35/74/323083574.db2.gz DBTXZZDFAAZSHT-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+]C/C=C\c1ccccc1 ZINC000390089104 323083407 /nfs/dbraw/zinc/08/34/07/323083407.db2.gz HUZYBWTWTGNLMU-UITAMQMPSA-N 1 0 239.309 3.725 20 0 BHADRO CC(F)(F)CCC[NH2+]CC1CCCCCC1 ZINC000390089495 384347283 /nfs/dbraw/zinc/34/72/83/384347283.db2.gz ICERWVCSJVVVQZ-UHFFFAOYSA-N 1 0 233.346 3.982 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCCC(C)(F)F)c1 ZINC000390091692 259380270 /nfs/dbraw/zinc/38/02/70/259380270.db2.gz JMXXFIRJXBOHRL-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000390093814 323083514 /nfs/dbraw/zinc/08/35/14/323083514.db2.gz KZAUHYQDDQUKTL-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390093819 323083572 /nfs/dbraw/zinc/08/35/72/323083572.db2.gz KZAUHYQDDQUKTL-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390093827 323083534 /nfs/dbraw/zinc/08/35/34/323083534.db2.gz KZAUHYQDDQUKTL-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000390093832 323083549 /nfs/dbraw/zinc/08/35/49/323083549.db2.gz KZAUHYQDDQUKTL-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC1CCC([NH2+]CCCC(C)(F)F)CC1 ZINC000390095479 259380331 /nfs/dbraw/zinc/38/03/31/259380331.db2.gz MBSIHEJGBGLYOD-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000390096783 711105189 /nfs/dbraw/zinc/10/51/89/711105189.db2.gz MSJOTFVBYLXZES-LLVKDONJSA-N 1 0 221.335 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCC(C)(F)F ZINC000390096785 711104437 /nfs/dbraw/zinc/10/44/37/711104437.db2.gz MSJOTFVBYLXZES-NSHDSACASA-N 1 0 221.335 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1C ZINC000390097179 259380340 /nfs/dbraw/zinc/38/03/40/259380340.db2.gz MTRYKWBQQKYDHM-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1C ZINC000390097185 259380385 /nfs/dbraw/zinc/38/03/85/259380385.db2.gz MTRYKWBQQKYDHM-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1C ZINC000390097191 259380520 /nfs/dbraw/zinc/38/05/20/259380520.db2.gz MTRYKWBQQKYDHM-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)[C@H]1C ZINC000390097198 259380453 /nfs/dbraw/zinc/38/04/53/259380453.db2.gz MTRYKWBQQKYDHM-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)C1CCC1 ZINC000390097701 259380213 /nfs/dbraw/zinc/38/02/13/259380213.db2.gz NEXBERMGOLQHCA-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)C1CCC1 ZINC000390097707 259380472 /nfs/dbraw/zinc/38/04/72/259380472.db2.gz NEXBERMGOLQHCA-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCCC(C)(F)F ZINC000390098346 259351924 /nfs/dbraw/zinc/35/19/24/259351924.db2.gz NRKGBOCOWYRQOW-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCCC(C)(F)F ZINC000390098353 259380503 /nfs/dbraw/zinc/38/05/03/259380503.db2.gz NRKGBOCOWYRQOW-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+]CCC1CCCCC1 ZINC000390098454 259380247 /nfs/dbraw/zinc/38/02/47/259380247.db2.gz NWBSQYMMURYSPF-UHFFFAOYSA-N 1 0 233.346 3.982 20 0 BHADRO CCC[C@H](CC)[NH2+]CCCC(C)(F)F ZINC000390098488 259380230 /nfs/dbraw/zinc/38/02/30/259380230.db2.gz NYJLVZPCBUUMQQ-JTQLQIEISA-N 1 0 207.308 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCCC(C)(F)F ZINC000390098489 259380308 /nfs/dbraw/zinc/38/03/08/259380308.db2.gz NYJLVZPCBUUMQQ-SNVBAGLBSA-N 1 0 207.308 3.590 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000390101235 539020140 /nfs/dbraw/zinc/02/01/40/539020140.db2.gz ADMAQJAOFBGVRU-AAEUAGOBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000390101236 539020112 /nfs/dbraw/zinc/02/01/12/539020112.db2.gz ADMAQJAOFBGVRU-DGCLKSJQSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000390101237 539019811 /nfs/dbraw/zinc/01/98/11/539019811.db2.gz ADMAQJAOFBGVRU-WCQYABFASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000390101238 539020116 /nfs/dbraw/zinc/02/01/16/539020116.db2.gz ADMAQJAOFBGVRU-YPMHNXCESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390103454 259380546 /nfs/dbraw/zinc/38/05/46/259380546.db2.gz REPUPJZOFPQVAL-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390103456 259380306 /nfs/dbraw/zinc/38/03/06/259380306.db2.gz REPUPJZOFPQVAL-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390103457 259380279 /nfs/dbraw/zinc/38/02/79/259380279.db2.gz REPUPJZOFPQVAL-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390103458 259380330 /nfs/dbraw/zinc/38/03/30/259380330.db2.gz REPUPJZOFPQVAL-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CCCC(C)(F)F)C1CCC1 ZINC000390106272 259380532 /nfs/dbraw/zinc/38/05/32/259380532.db2.gz TTZLYSQQJGQRSM-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H]([NH2+]CCCC(C)(F)F)C1CCC1 ZINC000390106273 259380299 /nfs/dbraw/zinc/38/02/99/259380299.db2.gz TTZLYSQQJGQRSM-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]CCCC(C)(F)F ZINC000390106358 259352016 /nfs/dbraw/zinc/35/20/16/259352016.db2.gz TXLQFTPBXQXKCE-UHFFFAOYSA-N 1 0 221.335 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+]CC1(C)CCCC1 ZINC000390106803 711106735 /nfs/dbraw/zinc/10/67/35/711106735.db2.gz TZBNXYCJWZEWPB-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CC(C)C([NH2+]CCCC(C)(F)F)C(C)C ZINC000390108087 711105785 /nfs/dbraw/zinc/10/57/85/711105785.db2.gz VAPQJBNFPIKHEI-UHFFFAOYSA-N 1 0 221.335 3.692 20 0 BHADRO CCc1ccc(C[NH2+]CCCC(C)(F)F)cc1 ZINC000390108088 259380334 /nfs/dbraw/zinc/38/03/34/259380334.db2.gz VAYUKOBRNKXJNI-UHFFFAOYSA-N 1 0 241.325 3.774 20 0 BHADRO CCCC[C@H](C)[NH2+]CCCC(C)(F)F ZINC000390109218 259380521 /nfs/dbraw/zinc/38/05/21/259380521.db2.gz VZCZXTRGPGVCLR-JTQLQIEISA-N 1 0 207.308 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000390109548 259380173 /nfs/dbraw/zinc/38/01/73/259380173.db2.gz VZCZXTRGPGVCLR-SNVBAGLBSA-N 1 0 207.308 3.590 20 0 BHADRO CSC(C)(C)CC[NH2+]CCCC(C)(F)F ZINC000390109792 711106428 /nfs/dbraw/zinc/10/64/28/711106428.db2.gz WFBWXRODPMTPOX-UHFFFAOYSA-N 1 0 239.375 3.543 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCCC(C)(F)F ZINC000390109809 259380154 /nfs/dbraw/zinc/38/01/54/259380154.db2.gz WFLYKSXDEQBJIV-LLVKDONJSA-N 1 0 221.335 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCCC(C)(F)F ZINC000390109819 259380325 /nfs/dbraw/zinc/38/03/25/259380325.db2.gz WFLYKSXDEQBJIV-NSHDSACASA-N 1 0 221.335 3.694 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccs1 ZINC000390112677 259380261 /nfs/dbraw/zinc/38/02/61/259380261.db2.gz YAIFHBQRWPBXMY-SECBINFHSA-N 1 0 233.327 3.834 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)c1cccs1 ZINC000390112678 259380197 /nfs/dbraw/zinc/38/01/97/259380197.db2.gz YAIFHBQRWPBXMY-VIFPVBQESA-N 1 0 233.327 3.834 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@@H]1C ZINC000390113183 259380845 /nfs/dbraw/zinc/38/08/45/259380845.db2.gz YEHPEVZPDCZEDV-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@H]1C ZINC000390113187 259380802 /nfs/dbraw/zinc/38/08/02/259380802.db2.gz YEHPEVZPDCZEDV-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@H]1C ZINC000390113188 259380830 /nfs/dbraw/zinc/38/08/30/259380830.db2.gz YEHPEVZPDCZEDV-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@@H]1C ZINC000390113189 259380807 /nfs/dbraw/zinc/38/08/07/259380807.db2.gz YEHPEVZPDCZEDV-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCC(C)(F)F ZINC000390113217 259380671 /nfs/dbraw/zinc/38/06/71/259380671.db2.gz YHANWZPKQZZDBO-LLVKDONJSA-N 1 0 221.335 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCC(C)(F)F ZINC000390113218 384386170 /nfs/dbraw/zinc/38/61/70/384386170.db2.gz YHANWZPKQZZDBO-NSHDSACASA-N 1 0 221.335 3.980 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000390114237 259380678 /nfs/dbraw/zinc/38/06/78/259380678.db2.gz ZAIQCRBCGSXELF-LLVKDONJSA-N 1 0 221.335 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCC(C)(F)F ZINC000390114242 259380836 /nfs/dbraw/zinc/38/08/36/259380836.db2.gz ZAIQCRBCGSXELF-NSHDSACASA-N 1 0 221.335 3.836 20 0 BHADRO C[C@@H](C[NH2+]CCCC(C)(F)F)C(C)(C)C ZINC000390114264 398156399 /nfs/dbraw/zinc/15/63/99/398156399.db2.gz ZBCGSNKKCWHZPL-JTQLQIEISA-N 1 0 221.335 3.694 20 0 BHADRO C[C@H](C[NH2+]CCCC(C)(F)F)C(C)(C)C ZINC000390114265 398156499 /nfs/dbraw/zinc/15/64/99/398156499.db2.gz ZBCGSNKKCWHZPL-SNVBAGLBSA-N 1 0 221.335 3.694 20 0 BHADRO CC(C)C(C[NH2+]CCC1(F)CCC1)C(C)C ZINC000390124373 259380634 /nfs/dbraw/zinc/38/06/34/259380634.db2.gz HELJCBIGPKRTTI-UHFFFAOYSA-N 1 0 229.383 3.787 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000390125498 259380632 /nfs/dbraw/zinc/38/06/32/259380632.db2.gz HPQXVKGJNKMOMJ-UHFFFAOYSA-N 1 0 217.356 3.786 20 0 BHADRO CC(C)([NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000390127020 259380630 /nfs/dbraw/zinc/38/06/30/259380630.db2.gz IGWQCAZKKAEOLK-GFCCVEGCSA-N 1 0 235.396 3.929 20 0 BHADRO CC(C)([NH2+]C[C@H]1CC=CCC1)c1cccs1 ZINC000390127022 384401358 /nfs/dbraw/zinc/40/13/58/384401358.db2.gz IGWQCAZKKAEOLK-LBPRGKRZSA-N 1 0 235.396 3.929 20 0 BHADRO CC(C)Cc1cccc([C@@H](C)[NH2+]CCF)c1 ZINC000390130313 347256374 /nfs/dbraw/zinc/25/63/74/347256374.db2.gz JMZNDZFXQVDIHH-GFCCVEGCSA-N 1 0 223.335 3.505 20 0 BHADRO CC(C)Cc1cccc([C@H](C)[NH2+]CCF)c1 ZINC000390130314 347256464 /nfs/dbraw/zinc/25/64/64/347256464.db2.gz JMZNDZFXQVDIHH-LBPRGKRZSA-N 1 0 223.335 3.505 20 0 BHADRO C[C@H](CC[NH2+]Cc1nccs1)CC(C)(C)C ZINC000390136712 539019825 /nfs/dbraw/zinc/01/98/25/539019825.db2.gz MHOLGUAWGKSIIJ-LLVKDONJSA-N 1 0 240.416 3.695 20 0 BHADRO C[C@@H](CC[NH2+]Cc1nccs1)CC(C)(C)C ZINC000390136713 539019876 /nfs/dbraw/zinc/01/98/76/539019876.db2.gz MHOLGUAWGKSIIJ-NSHDSACASA-N 1 0 240.416 3.695 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C(C)(C)C(C)C ZINC000390138164 357082818 /nfs/dbraw/zinc/08/28/18/357082818.db2.gz NCQGFUKLHFUVDF-UHFFFAOYSA-N 1 0 223.335 3.658 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000390139349 537788717 /nfs/dbraw/zinc/78/87/17/537788717.db2.gz NRWPMXVZPHQJHV-LLVKDONJSA-N 1 0 245.700 3.617 20 0 BHADRO FC1(F)CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000390139350 539020138 /nfs/dbraw/zinc/02/01/38/539020138.db2.gz NRWPMXVZPHQJHV-NSHDSACASA-N 1 0 245.700 3.617 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(C)ccc1F ZINC000390141414 259381069 /nfs/dbraw/zinc/38/10/69/259381069.db2.gz OVKQLHWDLIATQF-UHFFFAOYSA-N 1 0 221.319 3.580 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000390143003 539020026 /nfs/dbraw/zinc/02/00/26/539020026.db2.gz PRVKTFJPBBROIP-BNOWGMLFSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000390143006 539019759 /nfs/dbraw/zinc/01/97/59/539019759.db2.gz PRVKTFJPBBROIP-KWCYVHTRSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000390143007 539020031 /nfs/dbraw/zinc/02/00/31/539020031.db2.gz PRVKTFJPBBROIP-MRVWCRGKSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000390143008 539020023 /nfs/dbraw/zinc/02/00/23/539020023.db2.gz PRVKTFJPBBROIP-XBFCOCLRSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000390143783 347260321 /nfs/dbraw/zinc/26/03/21/347260321.db2.gz QDWRNPOMLOTIKK-GFCCVEGCSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000390143784 357082527 /nfs/dbraw/zinc/08/25/27/357082527.db2.gz QDWRNPOMLOTIKK-LBPRGKRZSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1(C2CC2)CC1)C1CC1 ZINC000390144759 357082220 /nfs/dbraw/zinc/08/22/20/357082220.db2.gz QMUHXMRIYWOOCZ-AWEZNQCLSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1(C2CC2)CC1)C1CC1 ZINC000390144762 357082390 /nfs/dbraw/zinc/08/23/90/357082390.db2.gz QMUHXMRIYWOOCZ-CQSZACIVSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000390147030 259381146 /nfs/dbraw/zinc/38/11/46/259381146.db2.gz RMJCMTCXURJZPF-UHFFFAOYSA-N 1 0 243.753 3.657 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC000390157150 259381375 /nfs/dbraw/zinc/38/13/75/259381375.db2.gz XFULKZDIDULWKS-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC000390157151 259381420 /nfs/dbraw/zinc/38/14/20/259381420.db2.gz XFULKZDIDULWKS-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+]CCCCF)c1cccc(Cl)c1 ZINC000390158904 259381496 /nfs/dbraw/zinc/38/14/96/259381496.db2.gz YKYLISFPBZTANA-LLVKDONJSA-N 1 0 243.753 3.783 20 0 BHADRO C[C@@H](C[NH2+]CCCCF)c1cccc(Cl)c1 ZINC000390158905 259381450 /nfs/dbraw/zinc/38/14/50/259381450.db2.gz YKYLISFPBZTANA-NSHDSACASA-N 1 0 243.753 3.783 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000390159449 259381466 /nfs/dbraw/zinc/38/14/66/259381466.db2.gz YTLZPWMIGRKJPJ-GFCCVEGCSA-N 1 0 239.790 3.907 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000390159450 259381431 /nfs/dbraw/zinc/38/14/31/259381431.db2.gz YTLZPWMIGRKJPJ-LBPRGKRZSA-N 1 0 239.790 3.907 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C(C)(C)C(C)C)c1 ZINC000390160201 371189201 /nfs/dbraw/zinc/18/92/01/371189201.db2.gz ZGFLPXPWSBLGJD-UHFFFAOYSA-N 1 0 219.372 3.828 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000390165272 347267285 /nfs/dbraw/zinc/26/72/85/347267285.db2.gz DTBZVVXILJRUJW-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1cc(C[NH2+]Cc2occc2C)c(C)s1 ZINC000390166778 357085319 /nfs/dbraw/zinc/08/53/19/357085319.db2.gz FJSQFZRHTDSLDX-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000390169172 711107880 /nfs/dbraw/zinc/10/78/80/711107880.db2.gz GHSCNWPMNGWXGV-HNNXBMFYSA-N 1 0 247.382 3.538 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCOCc1ccccc1 ZINC000390169174 711107464 /nfs/dbraw/zinc/10/74/64/711107464.db2.gz GHSCNWPMNGWXGV-OAHLLOKOSA-N 1 0 247.382 3.538 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000390174321 344953897 /nfs/dbraw/zinc/95/38/97/344953897.db2.gz HSZZVHHCXPIDDO-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000390174322 259381620 /nfs/dbraw/zinc/38/16/20/259381620.db2.gz HSZZVHHCXPIDDO-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000390174324 259381769 /nfs/dbraw/zinc/38/17/69/259381769.db2.gz HSZZVHHCXPIDDO-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000390174327 259381833 /nfs/dbraw/zinc/38/18/33/259381833.db2.gz HSZZVHHCXPIDDO-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000390174351 259381865 /nfs/dbraw/zinc/38/18/65/259381865.db2.gz HTMIIAINTDNXBH-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000390174353 259381846 /nfs/dbraw/zinc/38/18/46/259381846.db2.gz HTMIIAINTDNXBH-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)CC(F)(F)F)C(C)(C)C ZINC000390175869 491102808 /nfs/dbraw/zinc/10/28/08/491102808.db2.gz IGLIJSQEQXRWCQ-SECBINFHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)CC(F)(F)F)C(C)(C)C ZINC000390175871 488065329 /nfs/dbraw/zinc/06/53/29/488065329.db2.gz IGLIJSQEQXRWCQ-VIFPVBQESA-N 1 0 239.325 3.989 20 0 BHADRO C([NH2+]CC1CCCCCC1)[C@@H]1CCCSC1 ZINC000390177414 384479079 /nfs/dbraw/zinc/47/90/79/384479079.db2.gz IRYJCCYBZRFZEQ-AWEZNQCLSA-N 1 0 241.444 3.690 20 0 BHADRO C([NH2+]CC1CCCCCC1)[C@H]1CCCSC1 ZINC000390177421 384477472 /nfs/dbraw/zinc/47/74/72/384477472.db2.gz IRYJCCYBZRFZEQ-CQSZACIVSA-N 1 0 241.444 3.690 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000390180611 259381788 /nfs/dbraw/zinc/38/17/88/259381788.db2.gz JPHSTRCLDCHFIY-NEPJUHHUSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000390180613 259381681 /nfs/dbraw/zinc/38/16/81/259381681.db2.gz JPHSTRCLDCHFIY-NWDGAFQWSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000390180614 259381900 /nfs/dbraw/zinc/38/19/00/259381900.db2.gz JPHSTRCLDCHFIY-RYUDHWBXSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000390180616 259381669 /nfs/dbraw/zinc/38/16/69/259381669.db2.gz JPHSTRCLDCHFIY-VXGBXAGGSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CS1 ZINC000390181261 259381671 /nfs/dbraw/zinc/38/16/71/259381671.db2.gz JTJBENQDAYCCOW-SRVKXCTJSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CS1 ZINC000390181263 259381830 /nfs/dbraw/zinc/38/18/30/259381830.db2.gz JTJBENQDAYCCOW-TUAOUCFPSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CS1 ZINC000390181265 259381719 /nfs/dbraw/zinc/38/17/19/259381719.db2.gz JTJBENQDAYCCOW-UTUOFQBUSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CS1 ZINC000390181266 259381685 /nfs/dbraw/zinc/38/16/85/259381685.db2.gz JTJBENQDAYCCOW-WOPDTQHZSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000390181296 711107858 /nfs/dbraw/zinc/10/78/58/711107858.db2.gz JUTGJNBRUYSIGV-NEPJUHHUSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000390181298 711107793 /nfs/dbraw/zinc/10/77/93/711107793.db2.gz JUTGJNBRUYSIGV-NWDGAFQWSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)SCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000390181300 711107446 /nfs/dbraw/zinc/10/74/46/711107446.db2.gz JUTGJNBRUYSIGV-RYUDHWBXSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)(C)SCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000390181305 711107075 /nfs/dbraw/zinc/10/70/75/711107075.db2.gz JUTGJNBRUYSIGV-VXGBXAGGSA-N 1 0 243.460 3.932 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]C1(C(F)F)CC1 ZINC000390185972 259382233 /nfs/dbraw/zinc/38/22/33/259382233.db2.gz LMYAOGQUKMTBIQ-UHFFFAOYSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2C=CCCC2)CS1 ZINC000390186273 259381874 /nfs/dbraw/zinc/38/18/74/259381874.db2.gz LUYZEKHPUMPHAC-AGIUHOORSA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2C=CCCC2)CS1 ZINC000390186275 259381843 /nfs/dbraw/zinc/38/18/43/259381843.db2.gz LUYZEKHPUMPHAC-AVGNSLFASA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCCC2)CS1 ZINC000390186276 259381810 /nfs/dbraw/zinc/38/18/10/259381810.db2.gz LUYZEKHPUMPHAC-UPJWGTAASA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2C=CCCC2)CS1 ZINC000390186278 259353009 /nfs/dbraw/zinc/35/30/09/259353009.db2.gz LUYZEKHPUMPHAC-XQQFMLRXSA-N 1 0 239.428 3.605 20 0 BHADRO CC(C)C([NH2+]Cc1ccnc(Cl)c1)C(C)C ZINC000390189353 711107666 /nfs/dbraw/zinc/10/76/66/711107666.db2.gz MSIHXSHAQAVHMN-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C\c1ccccc1 ZINC000390194249 259382318 /nfs/dbraw/zinc/38/23/18/259382318.db2.gz OCXDTKQKRDRBNB-FLIBITNWSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)C(C[NH2+]C1CC(C(F)F)C1)C(C)C ZINC000390196218 711109175 /nfs/dbraw/zinc/10/91/75/711109175.db2.gz PFOCKYZWJIRZCB-UHFFFAOYSA-N 1 0 233.346 3.548 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCC23CCC3)CCCC1 ZINC000390202782 259382551 /nfs/dbraw/zinc/38/25/51/259382551.db2.gz RGDQVUILVVQGOI-AWEZNQCLSA-N 1 0 219.372 3.799 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCC23CCC3)CCCC1 ZINC000390202783 259382580 /nfs/dbraw/zinc/38/25/80/259382580.db2.gz RGDQVUILVVQGOI-CQSZACIVSA-N 1 0 219.372 3.799 20 0 BHADRO Cc1ccc(F)c(C[NH2+]CCCC(C)(F)F)c1 ZINC000390208213 259382525 /nfs/dbraw/zinc/38/25/25/259382525.db2.gz TXOWKTCSXKFLQQ-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO C[C@H](CC[NH2+]C[C@H]1CCSC1)CC(C)(C)C ZINC000390208247 259382504 /nfs/dbraw/zinc/38/25/04/259382504.db2.gz TXSBHXNRTARNBL-CHWSQXEVSA-N 1 0 243.460 3.792 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H]1CCSC1)CC(C)(C)C ZINC000390208251 259352979 /nfs/dbraw/zinc/35/29/79/259352979.db2.gz TXSBHXNRTARNBL-OLZOCXBDSA-N 1 0 243.460 3.792 20 0 BHADRO C[C@@H](CC[NH2+]C[C@H]1CCSC1)CC(C)(C)C ZINC000390208254 259382494 /nfs/dbraw/zinc/38/24/94/259382494.db2.gz TXSBHXNRTARNBL-QWHCGFSZSA-N 1 0 243.460 3.792 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H]1CCSC1)CC(C)(C)C ZINC000390208257 259352892 /nfs/dbraw/zinc/35/28/92/259352892.db2.gz TXSBHXNRTARNBL-STQMWFEESA-N 1 0 243.460 3.792 20 0 BHADRO CC(C)C(C[NH2+]C[C@H](C)C(F)(F)F)C(C)C ZINC000390211001 259382539 /nfs/dbraw/zinc/38/25/39/259382539.db2.gz VFPJGILYBTYWJQ-JTQLQIEISA-N 1 0 239.325 3.703 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H](C)C(F)(F)F)C(C)C ZINC000390211002 259382506 /nfs/dbraw/zinc/38/25/06/259382506.db2.gz VFPJGILYBTYWJQ-SNVBAGLBSA-N 1 0 239.325 3.703 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)CF)c1cccc(Cl)c1 ZINC000390214463 259382678 /nfs/dbraw/zinc/38/26/78/259382678.db2.gz WQRILXVPEYFNCO-JTQLQIEISA-N 1 0 243.753 3.781 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)CF)c1cccc(Cl)c1 ZINC000390214464 259382640 /nfs/dbraw/zinc/38/26/40/259382640.db2.gz WQRILXVPEYFNCO-SNVBAGLBSA-N 1 0 243.753 3.781 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2ccccc21 ZINC000390215504 259353144 /nfs/dbraw/zinc/35/31/44/259353144.db2.gz XDYBQNVNODXQIY-HNNXBMFYSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000390215505 259382584 /nfs/dbraw/zinc/38/25/84/259382584.db2.gz XDYBQNVNODXQIY-OAHLLOKOSA-N 1 0 215.340 3.620 20 0 BHADRO CC(C)C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000390217519 259382709 /nfs/dbraw/zinc/38/27/09/259382709.db2.gz XXHRJWSBKGVSOX-BXKDBHETSA-N 1 0 241.737 3.581 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)c(C)c1 ZINC000390224165 259382544 /nfs/dbraw/zinc/38/25/44/259382544.db2.gz AYMRSCYICPIZIH-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO CC(F)(F)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000390224170 259382548 /nfs/dbraw/zinc/38/25/48/259382548.db2.gz AYTBMJFHVRZUIQ-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccc[nH]1)C(C)C ZINC000390225624 711109089 /nfs/dbraw/zinc/10/90/89/711109089.db2.gz AWYZOUAFQBHPDA-GFCCVEGCSA-N 1 0 222.376 3.594 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccc[nH]1)C(C)C ZINC000390225625 711108308 /nfs/dbraw/zinc/10/83/08/711108308.db2.gz AWYZOUAFQBHPDA-LBPRGKRZSA-N 1 0 222.376 3.594 20 0 BHADRO CC1CCC([NH2+]CCCC(C)(F)F)CC1 ZINC000390227797 259383008 /nfs/dbraw/zinc/38/30/08/259383008.db2.gz DIUYQLYFVXDRCJ-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000390228497 259383142 /nfs/dbraw/zinc/38/31/42/259383142.db2.gz DSQZNFLDVKNMCW-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000390228498 259383294 /nfs/dbraw/zinc/38/32/94/259383294.db2.gz DSQZNFLDVKNMCW-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C1CC(F)(F)C1 ZINC000390229759 259383318 /nfs/dbraw/zinc/38/33/18/259383318.db2.gz CMHMEASERSZLQS-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C1CC(F)(F)C1 ZINC000390229760 259383046 /nfs/dbraw/zinc/38/30/46/259383046.db2.gz CMHMEASERSZLQS-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)C1CCCC1 ZINC000390229943 259383177 /nfs/dbraw/zinc/38/31/77/259383177.db2.gz GEBHVGKBGWKEAC-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)C1CCCC1 ZINC000390229944 259382942 /nfs/dbraw/zinc/38/29/42/259382942.db2.gz GEBHVGKBGWKEAC-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390232052 259383037 /nfs/dbraw/zinc/38/30/37/259383037.db2.gz HUCHKOBCSYHGDD-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390232053 259383022 /nfs/dbraw/zinc/38/30/22/259383022.db2.gz HUCHKOBCSYHGDD-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390232054 259382911 /nfs/dbraw/zinc/38/29/11/259382911.db2.gz HUCHKOBCSYHGDD-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390232055 259382983 /nfs/dbraw/zinc/38/29/83/259382983.db2.gz HUCHKOBCSYHGDD-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+]C1CCCCCC1 ZINC000390232471 259383145 /nfs/dbraw/zinc/38/31/45/259383145.db2.gz IFGRDYLZVDOOLM-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)C1CCCCC1 ZINC000390235968 259383683 /nfs/dbraw/zinc/38/36/83/259383683.db2.gz KNNYTCLPUXVILR-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)C1CCCCC1 ZINC000390235970 259383649 /nfs/dbraw/zinc/38/36/49/259383649.db2.gz KNNYTCLPUXVILR-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO Cc1cccc(C[NH2+]CCCC(C)(F)F)c1C ZINC000390236022 259383586 /nfs/dbraw/zinc/38/35/86/259383586.db2.gz KQNKWFOXWACYAC-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390237272 259383482 /nfs/dbraw/zinc/38/34/82/259383482.db2.gz LOVIRMGMIVJUFC-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390237275 259383615 /nfs/dbraw/zinc/38/36/15/259383615.db2.gz LOVIRMGMIVJUFC-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390237279 259383839 /nfs/dbraw/zinc/38/38/39/259383839.db2.gz LOVIRMGMIVJUFC-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390237281 259383624 /nfs/dbraw/zinc/38/36/24/259383624.db2.gz LOVIRMGMIVJUFC-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCCC(C)(F)F)c1 ZINC000390237929 259383741 /nfs/dbraw/zinc/38/37/41/259383741.db2.gz LVZIREDFXXJLBJ-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO CC(C)C1CC([NH2+]C2CCC(F)(F)CC2)C1 ZINC000390238387 259383692 /nfs/dbraw/zinc/38/36/92/259383692.db2.gz GTSLWRCJJHTSQJ-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCC1(C)C ZINC000390239636 259383040 /nfs/dbraw/zinc/38/30/40/259383040.db2.gz NBEACYBOBFGCDU-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000390239640 259383287 /nfs/dbraw/zinc/38/32/87/259383287.db2.gz NBEACYBOBFGCDU-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO c1cc(C[NH2+]CCC2CCCCCC2)co1 ZINC000390241529 259383816 /nfs/dbraw/zinc/38/38/16/259383816.db2.gz HTRZPHYBWQYQDV-UHFFFAOYSA-N 1 0 221.344 3.730 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)cc1C ZINC000390242584 259383378 /nfs/dbraw/zinc/38/33/78/259383378.db2.gz OVUGUYPWMGIXLZ-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C)CC(C)C ZINC000390242677 711110080 /nfs/dbraw/zinc/11/00/80/711110080.db2.gz IDHOZGXFBKUFQT-GFCCVEGCSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C)CC(C)C ZINC000390242678 711110005 /nfs/dbraw/zinc/11/00/05/711110005.db2.gz IDHOZGXFBKUFQT-LBPRGKRZSA-N 1 0 223.335 3.658 20 0 BHADRO CC(C)C1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000390242700 357087191 /nfs/dbraw/zinc/08/71/91/357087191.db2.gz IDWUFFHHFOHLAV-UHFFFAOYSA-N 1 0 227.367 3.541 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000390242861 539020463 /nfs/dbraw/zinc/02/04/63/539020463.db2.gz IGUQXSXPFWKVGI-CHWSQXEVSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000390242876 539020359 /nfs/dbraw/zinc/02/03/59/539020359.db2.gz IGUQXSXPFWKVGI-OLZOCXBDSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000390242878 539020262 /nfs/dbraw/zinc/02/02/62/539020262.db2.gz IGUQXSXPFWKVGI-QWHCGFSZSA-N 1 0 237.412 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000390242880 539020218 /nfs/dbraw/zinc/02/02/18/539020218.db2.gz IGUQXSXPFWKVGI-STQMWFEESA-N 1 0 237.412 3.623 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCCC(C)(F)F)C[C@@H](C)C1 ZINC000390244844 259383488 /nfs/dbraw/zinc/38/34/88/259383488.db2.gz QBBXKQKTRXPESJ-GDNZZTSVSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CC([NH2+]CCCC(C)(F)F)C[C@H](C)C1 ZINC000390244847 259383456 /nfs/dbraw/zinc/38/34/56/259383456.db2.gz QBBXKQKTRXPESJ-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC([NH2+]CCCC(C)(F)F)C[C@@H](C)C1 ZINC000390244849 259383475 /nfs/dbraw/zinc/38/34/75/259383475.db2.gz QBBXKQKTRXPESJ-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390245572 259383717 /nfs/dbraw/zinc/38/37/17/259383717.db2.gz QMCMZPGLPRPGKX-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390245573 259383646 /nfs/dbraw/zinc/38/36/46/259383646.db2.gz QMCMZPGLPRPGKX-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390245574 259383837 /nfs/dbraw/zinc/38/38/37/259383837.db2.gz QMCMZPGLPRPGKX-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390245575 259383446 /nfs/dbraw/zinc/38/34/46/259383446.db2.gz QMCMZPGLPRPGKX-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390247187 259383460 /nfs/dbraw/zinc/38/34/60/259383460.db2.gz RGIOVXVEHUZPTH-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390247191 259383706 /nfs/dbraw/zinc/38/37/06/259383706.db2.gz RGIOVXVEHUZPTH-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390247196 259383685 /nfs/dbraw/zinc/38/36/85/259383685.db2.gz RGIOVXVEHUZPTH-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390247201 259383688 /nfs/dbraw/zinc/38/36/88/259383688.db2.gz RGIOVXVEHUZPTH-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO C(CC1CCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000390247297 259383490 /nfs/dbraw/zinc/38/34/90/259383490.db2.gz JKLVBHOIIBZMIK-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000390247299 259383833 /nfs/dbraw/zinc/38/38/33/259383833.db2.gz JKLVBHOIIBZMIK-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000390247301 259383492 /nfs/dbraw/zinc/38/34/92/259383492.db2.gz JKLVBHOIIBZMIK-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000390247303 259383682 /nfs/dbraw/zinc/38/36/82/259383682.db2.gz JKLVBHOIIBZMIK-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000390249342 323090445 /nfs/dbraw/zinc/09/04/45/323090445.db2.gz SCWYEVCMRZPNSE-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000390249343 259383447 /nfs/dbraw/zinc/38/34/47/259383447.db2.gz SCWYEVCMRZPNSE-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390249391 259383733 /nfs/dbraw/zinc/38/37/33/259383733.db2.gz KCUBWWPMIFYDRE-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390249392 259383484 /nfs/dbraw/zinc/38/34/84/259383484.db2.gz KCUBWWPMIFYDRE-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390249393 259383700 /nfs/dbraw/zinc/38/37/00/259383700.db2.gz KCUBWWPMIFYDRE-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390249394 323090451 /nfs/dbraw/zinc/09/04/51/323090451.db2.gz KCUBWWPMIFYDRE-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCCC(C)(F)F ZINC000390252479 397883896 /nfs/dbraw/zinc/88/38/96/397883896.db2.gz UUMMKNVVXOBOGW-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCCC(C)(F)F ZINC000390252486 397883945 /nfs/dbraw/zinc/88/39/45/397883945.db2.gz UUMMKNVVXOBOGW-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCCSC2)CCCCC1 ZINC000390254239 259384050 /nfs/dbraw/zinc/38/40/50/259384050.db2.gz LNWLIYRZTWSKHI-AWEZNQCLSA-N 1 0 239.428 3.752 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCCSC2)CCCCC1 ZINC000390254247 259384228 /nfs/dbraw/zinc/38/42/28/259384228.db2.gz LNWLIYRZTWSKHI-CQSZACIVSA-N 1 0 239.428 3.752 20 0 BHADRO CC(F)(F)CCC[NH2+]CC1CCCCC1 ZINC000390254713 259383982 /nfs/dbraw/zinc/38/39/82/259383982.db2.gz VXDOXLVIHAHDOT-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390254784 259384136 /nfs/dbraw/zinc/38/41/36/259384136.db2.gz WCMHZVPWPLREGZ-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390254785 259383977 /nfs/dbraw/zinc/38/39/77/259383977.db2.gz WCMHZVPWPLREGZ-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390254786 259384106 /nfs/dbraw/zinc/38/41/06/259384106.db2.gz WCMHZVPWPLREGZ-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000390254787 259383922 /nfs/dbraw/zinc/38/39/22/259383922.db2.gz WCMHZVPWPLREGZ-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCCC(C)(F)F ZINC000390255569 259383968 /nfs/dbraw/zinc/38/39/68/259383968.db2.gz WKZRXNOGNZGXIS-UHFFFAOYSA-N 1 0 241.325 3.828 20 0 BHADRO CC(C)C(C)(C)[NH2+]C/C=C/c1ccccc1 ZINC000390257706 357087811 /nfs/dbraw/zinc/08/78/11/357087811.db2.gz MSDXDWBXMXMUEQ-DHZHZOJOSA-N 1 0 217.356 3.724 20 0 BHADRO CC(C)C(C)(C)[NH2+]C/C=C\c1ccccc1 ZINC000390257732 357087876 /nfs/dbraw/zinc/08/78/76/357087876.db2.gz MSDXDWBXMXMUEQ-FLIBITNWSA-N 1 0 217.356 3.724 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000390259530 711110434 /nfs/dbraw/zinc/11/04/34/711110434.db2.gz NIOJDXAHWRRQML-NEPJUHHUSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C1(C)CC1 ZINC000390259531 712392098 /nfs/dbraw/zinc/39/20/98/712392098.db2.gz NIOJDXAHWRRQML-NWDGAFQWSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000390259532 712392103 /nfs/dbraw/zinc/39/21/03/712392103.db2.gz NIOJDXAHWRRQML-RYUDHWBXSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H](C)C1(C)CC1 ZINC000390259534 712391997 /nfs/dbraw/zinc/39/19/97/712391997.db2.gz NIOJDXAHWRRQML-VXGBXAGGSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390260326 488145093 /nfs/dbraw/zinc/14/50/93/488145093.db2.gz YYGMNMZGAFJHPN-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390260331 487743449 /nfs/dbraw/zinc/74/34/49/487743449.db2.gz YYGMNMZGAFJHPN-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000390260335 488145244 /nfs/dbraw/zinc/14/52/44/488145244.db2.gz YYGMNMZGAFJHPN-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000390260339 488145106 /nfs/dbraw/zinc/14/51/06/488145106.db2.gz YYGMNMZGAFJHPN-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]CC1CCCCC1 ZINC000390261294 539021209 /nfs/dbraw/zinc/02/12/09/539021209.db2.gz OAAONRVPEKDBIZ-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)([NH2+]CCC1CC1)c1cccc(Cl)c1 ZINC000390263611 259384251 /nfs/dbraw/zinc/38/42/51/259384251.db2.gz OUROVZUWFHHFAT-UHFFFAOYSA-N 1 0 237.774 3.965 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000390263636 259384138 /nfs/dbraw/zinc/38/41/38/259384138.db2.gz OVTRCKCNFLXSQT-CXQJBGSLSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000390263637 259384048 /nfs/dbraw/zinc/38/40/48/259384048.db2.gz OVTRCKCNFLXSQT-MOENNCHZSA-N 1 0 231.330 3.589 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+]C2CCC2)cc1 ZINC000390263702 357088174 /nfs/dbraw/zinc/08/81/74/357088174.db2.gz OXGNHBLOJROSTM-HNNXBMFYSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+]C2CCC2)cc1 ZINC000390263703 357088080 /nfs/dbraw/zinc/08/80/80/357088080.db2.gz OXGNHBLOJROSTM-OAHLLOKOSA-N 1 0 215.340 3.670 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000390271314 259384075 /nfs/dbraw/zinc/38/40/75/259384075.db2.gz RSXOXXIUOFXYOB-GXTWGEPZSA-N 1 0 223.335 3.721 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000390271316 259384239 /nfs/dbraw/zinc/38/42/39/259384239.db2.gz RSXOXXIUOFXYOB-JSGCOSHPSA-N 1 0 223.335 3.721 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000390271319 259384219 /nfs/dbraw/zinc/38/42/19/259384219.db2.gz RSXOXXIUOFXYOB-OCCSQVGLSA-N 1 0 223.335 3.721 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000390271322 259384243 /nfs/dbraw/zinc/38/42/43/259384243.db2.gz RSXOXXIUOFXYOB-TZMCWYRMSA-N 1 0 223.335 3.721 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000390272298 259383956 /nfs/dbraw/zinc/38/39/56/259383956.db2.gz RXNXGUFQIBUGQF-BNOWGMLFSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000390272299 259384014 /nfs/dbraw/zinc/38/40/14/259384014.db2.gz RXNXGUFQIBUGQF-KWCYVHTRSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000390272302 259384276 /nfs/dbraw/zinc/38/42/76/259384276.db2.gz RXNXGUFQIBUGQF-MRVWCRGKSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000390272304 259383924 /nfs/dbraw/zinc/38/39/24/259383924.db2.gz RXNXGUFQIBUGQF-XBFCOCLRSA-N 1 0 223.404 3.979 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCS[C@@H]1C ZINC000390277512 539020959 /nfs/dbraw/zinc/02/09/59/539020959.db2.gz UEFGSDNKSZZUSM-BZPMIXESSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCS[C@H]1C ZINC000390277513 539020878 /nfs/dbraw/zinc/02/08/78/539020878.db2.gz UEFGSDNKSZZUSM-DYEKYZERSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCS[C@H]1C ZINC000390277514 539020835 /nfs/dbraw/zinc/02/08/35/539020835.db2.gz UEFGSDNKSZZUSM-MBNYWOFBSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCS[C@@H]1C ZINC000390277515 539020915 /nfs/dbraw/zinc/02/09/15/539020915.db2.gz UEFGSDNKSZZUSM-YRGRVCCFSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C(C)(C)CF)s1 ZINC000390279531 259384633 /nfs/dbraw/zinc/38/46/33/259384633.db2.gz UTRGUUGRTBXYCU-UHFFFAOYSA-N 1 0 243.391 3.883 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@H]1CCSC1 ZINC000390284947 259384798 /nfs/dbraw/zinc/38/47/98/259384798.db2.gz WJZNZLNNQZRYRK-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000390284948 323090704 /nfs/dbraw/zinc/09/07/04/323090704.db2.gz WJZNZLNNQZRYRK-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000390284949 259384839 /nfs/dbraw/zinc/38/48/39/259384839.db2.gz WJZNZLNNQZRYRK-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@H]1CCSC1 ZINC000390284950 259384638 /nfs/dbraw/zinc/38/46/38/259384638.db2.gz WJZNZLNNQZRYRK-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000390286530 259384829 /nfs/dbraw/zinc/38/48/29/259384829.db2.gz WZTNTQQQMMVVMO-UNXYVOJBSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000390286532 259384457 /nfs/dbraw/zinc/38/44/57/259384457.db2.gz WZTNTQQQMMVVMO-VOMCLLRMSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000390293548 357088057 /nfs/dbraw/zinc/08/80/57/357088057.db2.gz ZPZVDVFFIVKVHU-KBPBESRZSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000390293549 357087759 /nfs/dbraw/zinc/08/77/59/357087759.db2.gz ZPZVDVFFIVKVHU-KGLIPLIRSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCc1cccs1 ZINC000390293550 357087509 /nfs/dbraw/zinc/08/75/09/357087509.db2.gz ZPZVDVFFIVKVHU-UONOGXRCSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCCc1cccs1 ZINC000390293551 357088009 /nfs/dbraw/zinc/08/80/09/357088009.db2.gz ZPZVDVFFIVKVHU-ZIAGYGMSSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000390295813 259385168 /nfs/dbraw/zinc/38/51/68/259385168.db2.gz AQCFCTFLLVCTPJ-KBPBESRZSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000390295815 259385189 /nfs/dbraw/zinc/38/51/89/259385189.db2.gz AQCFCTFLLVCTPJ-KGLIPLIRSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000390295817 259385041 /nfs/dbraw/zinc/38/50/41/259385041.db2.gz AQCFCTFLLVCTPJ-UONOGXRCSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000390295819 259385177 /nfs/dbraw/zinc/38/51/77/259385177.db2.gz AQCFCTFLLVCTPJ-ZIAGYGMSSA-N 1 0 229.383 3.931 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccc(Cl)nc1 ZINC000390297693 711112054 /nfs/dbraw/zinc/11/20/54/711112054.db2.gz BGZQZBWXVHNLHU-UHFFFAOYSA-N 1 0 240.778 3.507 20 0 BHADRO C(CC1CCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000390298224 323084123 /nfs/dbraw/zinc/08/41/23/323084123.db2.gz BLXZAXPZKQRTES-AWEZNQCLSA-N 1 0 221.388 3.879 20 0 BHADRO C(CC1CCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000390298226 323084047 /nfs/dbraw/zinc/08/40/47/323084047.db2.gz BLXZAXPZKQRTES-CQSZACIVSA-N 1 0 221.388 3.879 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000390300913 259385393 /nfs/dbraw/zinc/38/53/93/259385393.db2.gz CITONVOUQQMAHG-GMTAPVOTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000390300918 385693147 /nfs/dbraw/zinc/69/31/47/385693147.db2.gz CITONVOUQQMAHG-MXWKQRLJSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000390300921 259385278 /nfs/dbraw/zinc/38/52/78/259385278.db2.gz CITONVOUQQMAHG-OUAUKWLOSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000390300923 259385307 /nfs/dbraw/zinc/38/53/07/259385307.db2.gz CITONVOUQQMAHG-VWYCJHECSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000390308677 712399569 /nfs/dbraw/zinc/39/95/69/712399569.db2.gz FILNUHBZZKVPJF-CHWSQXEVSA-N 1 0 220.360 3.800 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000390308686 712399570 /nfs/dbraw/zinc/39/95/70/712399570.db2.gz FILNUHBZZKVPJF-OLZOCXBDSA-N 1 0 220.360 3.800 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000390308688 712399713 /nfs/dbraw/zinc/39/97/13/712399713.db2.gz FILNUHBZZKVPJF-QWHCGFSZSA-N 1 0 220.360 3.800 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000390308689 712399708 /nfs/dbraw/zinc/39/97/08/712399708.db2.gz FILNUHBZZKVPJF-STQMWFEESA-N 1 0 220.360 3.800 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000390310901 323084235 /nfs/dbraw/zinc/08/42/35/323084235.db2.gz FWRLFPHMIDYOMY-KBPBESRZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000390310902 323084255 /nfs/dbraw/zinc/08/42/55/323084255.db2.gz FWRLFPHMIDYOMY-KGLIPLIRSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000390310903 323084232 /nfs/dbraw/zinc/08/42/32/323084232.db2.gz FWRLFPHMIDYOMY-UONOGXRCSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000390310904 323084229 /nfs/dbraw/zinc/08/42/29/323084229.db2.gz FWRLFPHMIDYOMY-ZIAGYGMSSA-N 1 0 241.444 3.544 20 0 BHADRO c1cc2cc(C[NH2+]C3CCCC3)ccc2s1 ZINC000390312223 323084250 /nfs/dbraw/zinc/08/42/50/323084250.db2.gz GFBLNJDPEFHEFI-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO CC(C)C1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000390316154 357089429 /nfs/dbraw/zinc/08/94/29/357089429.db2.gz HGCSBXJMXHOXFF-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H](C[NH2+]C1CCCC1)c1cccc(Cl)c1 ZINC000390321308 323152696 /nfs/dbraw/zinc/15/26/96/323152696.db2.gz IKYINYDRMCEXTI-LLVKDONJSA-N 1 0 237.774 3.976 20 0 BHADRO C[C@@H](C[NH2+]C1CCCC1)c1cccc(Cl)c1 ZINC000390321316 259385626 /nfs/dbraw/zinc/38/56/26/259385626.db2.gz IKYINYDRMCEXTI-NSHDSACASA-N 1 0 237.774 3.976 20 0 BHADRO CC(C)=CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000390326764 259385856 /nfs/dbraw/zinc/38/58/56/259385856.db2.gz JOIFBRBYPUTXRU-UHFFFAOYSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)(C[NH2+]CC1(F)CC1)C1=CCCCC1 ZINC000390328696 357090808 /nfs/dbraw/zinc/09/08/08/357090808.db2.gz JXNVSOUZLGEOCI-UHFFFAOYSA-N 1 0 225.351 3.605 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(F)cc1C ZINC000390329045 259385752 /nfs/dbraw/zinc/38/57/52/259385752.db2.gz JZPQWHGLZFYDQI-UHFFFAOYSA-N 1 0 221.319 3.580 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)C(F)(F)F ZINC000390338100 259386482 /nfs/dbraw/zinc/38/64/82/259386482.db2.gz MEVRQJULVNSANZ-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C(F)(F)F ZINC000390338101 259386515 /nfs/dbraw/zinc/38/65/15/259386515.db2.gz MEVRQJULVNSANZ-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C(F)(F)F ZINC000390338102 259386504 /nfs/dbraw/zinc/38/65/04/259386504.db2.gz MEVRQJULVNSANZ-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C(F)(F)F ZINC000390338103 259386431 /nfs/dbraw/zinc/38/64/31/259386431.db2.gz MEVRQJULVNSANZ-UTLUCORTSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000390339369 323152686 /nfs/dbraw/zinc/15/26/86/323152686.db2.gz MLHOHTCDDSKKRV-AWEZNQCLSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000390339375 259386264 /nfs/dbraw/zinc/38/62/64/259386264.db2.gz MLHOHTCDDSKKRV-CQSZACIVSA-N 1 0 235.758 3.883 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000390343592 259386488 /nfs/dbraw/zinc/38/64/88/259386488.db2.gz NNIUBOQAJOFUKL-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000390343593 259386286 /nfs/dbraw/zinc/38/62/86/259386286.db2.gz NNIUBOQAJOFUKL-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000390348637 539020804 /nfs/dbraw/zinc/02/08/04/539020804.db2.gz OSAMVUHHOBJFTR-KKOKHZNYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000390348639 539021125 /nfs/dbraw/zinc/02/11/25/539021125.db2.gz OSAMVUHHOBJFTR-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000390348641 539020846 /nfs/dbraw/zinc/02/08/46/539020846.db2.gz OSAMVUHHOBJFTR-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000390348642 539021012 /nfs/dbraw/zinc/02/10/12/539021012.db2.gz OSAMVUHHOBJFTR-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO C(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)CC1CC1 ZINC000390350285 539020912 /nfs/dbraw/zinc/02/09/12/539020912.db2.gz PCPCGJZCINJPQB-CABCVRRESA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@H]1CCCC[C@H]1C1CC1)CC1CC1 ZINC000390350286 539021132 /nfs/dbraw/zinc/02/11/32/539021132.db2.gz PCPCGJZCINJPQB-GJZGRUSLSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)CC1CC1 ZINC000390350287 539020794 /nfs/dbraw/zinc/02/07/94/539020794.db2.gz PCPCGJZCINJPQB-HUUCEWRRSA-N 1 0 221.388 3.735 20 0 BHADRO C(C[NH2+][C@@H]1CCCC[C@H]1C1CC1)CC1CC1 ZINC000390350288 537792655 /nfs/dbraw/zinc/79/26/55/537792655.db2.gz PCPCGJZCINJPQB-LSDHHAIUSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000390350815 539020730 /nfs/dbraw/zinc/02/07/30/539020730.db2.gz PESDIVBRAMNERC-AXFHLTTASA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000390350816 539021054 /nfs/dbraw/zinc/02/10/54/539021054.db2.gz PESDIVBRAMNERC-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000390350817 539021070 /nfs/dbraw/zinc/02/10/70/539021070.db2.gz PESDIVBRAMNERC-HBNTYKKESA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000390350818 539021046 /nfs/dbraw/zinc/02/10/46/539021046.db2.gz PESDIVBRAMNERC-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCC1)c1cccs1 ZINC000390351488 539021170 /nfs/dbraw/zinc/02/11/70/539021170.db2.gz PLUGLECMOXVBAK-UHFFFAOYSA-N 1 0 237.412 3.806 20 0 BHADRO CC(C)(C)C[NH2+]CCCc1cccc(Cl)c1 ZINC000390352924 355512298 /nfs/dbraw/zinc/51/22/98/355512298.db2.gz PUQPMDWUHCZANM-UHFFFAOYSA-N 1 0 239.790 3.908 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000390357828 259387004 /nfs/dbraw/zinc/38/70/04/259387004.db2.gz QXJBQYBZGQLLES-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000390357829 259386947 /nfs/dbraw/zinc/38/69/47/259386947.db2.gz QXJBQYBZGQLLES-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000390357830 259386849 /nfs/dbraw/zinc/38/68/49/259386849.db2.gz QXJBQYBZGQLLES-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000390357831 259386663 /nfs/dbraw/zinc/38/66/63/259386663.db2.gz QXJBQYBZGQLLES-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C1(C)CC1 ZINC000390365685 711114230 /nfs/dbraw/zinc/11/42/30/711114230.db2.gz UCIBISUBPNYROH-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1(C)CC1 ZINC000390365686 711113892 /nfs/dbraw/zinc/11/38/92/711113892.db2.gz UCIBISUBPNYROH-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1(C)CC1 ZINC000390365687 711114151 /nfs/dbraw/zinc/11/41/51/711114151.db2.gz UCIBISUBPNYROH-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1(C)CC1 ZINC000390365689 711113717 /nfs/dbraw/zinc/11/37/17/711113717.db2.gz UCIBISUBPNYROH-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000390366316 259386876 /nfs/dbraw/zinc/38/68/76/259386876.db2.gz UHJCWKGDNREOSR-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000390366321 259386969 /nfs/dbraw/zinc/38/69/69/259386969.db2.gz UHJCWKGDNREOSR-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000390366332 259386841 /nfs/dbraw/zinc/38/68/41/259386841.db2.gz UHJCWKGDNREOSR-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000390366344 259386557 /nfs/dbraw/zinc/38/65/57/259386557.db2.gz UHJCWKGDNREOSR-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CS1 ZINC000390368982 259386783 /nfs/dbraw/zinc/38/67/83/259386783.db2.gz VBCPUKDRDFZUGZ-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CS1 ZINC000390368984 259386899 /nfs/dbraw/zinc/38/68/99/259386899.db2.gz VBCPUKDRDFZUGZ-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC2CCCCC2)CS1 ZINC000390368985 259386721 /nfs/dbraw/zinc/38/67/21/259386721.db2.gz VBCPUKDRDFZUGZ-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CS1 ZINC000390368995 259386705 /nfs/dbraw/zinc/38/67/05/259386705.db2.gz VBCPUKDRDFZUGZ-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000390377802 711114236 /nfs/dbraw/zinc/11/42/36/711114236.db2.gz YIPPEJLEECEWNV-NEPJUHHUSA-N 1 0 223.335 3.563 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000390377803 711113806 /nfs/dbraw/zinc/11/38/06/711113806.db2.gz YIPPEJLEECEWNV-NWDGAFQWSA-N 1 0 223.335 3.563 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000390377804 711113681 /nfs/dbraw/zinc/11/36/81/711113681.db2.gz YIPPEJLEECEWNV-RYUDHWBXSA-N 1 0 223.335 3.563 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000390377805 711114059 /nfs/dbraw/zinc/11/40/59/711114059.db2.gz YIPPEJLEECEWNV-VXGBXAGGSA-N 1 0 223.335 3.563 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000390378406 539021631 /nfs/dbraw/zinc/02/16/31/539021631.db2.gz YPRILAZUANCILR-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000390378407 539021414 /nfs/dbraw/zinc/02/14/14/539021414.db2.gz YPRILAZUANCILR-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000390378408 539021435 /nfs/dbraw/zinc/02/14/35/539021435.db2.gz YPRILAZUANCILR-OUAUKWLOSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000390378409 539021469 /nfs/dbraw/zinc/02/14/69/539021469.db2.gz YPRILAZUANCILR-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CC1)C1=CCCCC1 ZINC000390381064 357091340 /nfs/dbraw/zinc/09/13/40/357091340.db2.gz ZORBYRWBHPERII-UHFFFAOYSA-N 1 0 221.388 3.903 20 0 BHADRO C1[C@@H]([NH2+][C@@H]2CCC23CCCC3)C12CCCC2 ZINC000390381951 347335693 /nfs/dbraw/zinc/33/56/93/347335693.db2.gz ZYPMMYYWDMXQLU-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@H]([NH2+][C@@H]2CCC23CCCC3)C12CCCC2 ZINC000390381952 347335843 /nfs/dbraw/zinc/33/58/43/347335843.db2.gz ZYPMMYYWDMXQLU-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@@H]([NH2+][C@H]2CCC23CCCC3)C12CCCC2 ZINC000390381953 347335970 /nfs/dbraw/zinc/33/59/70/347335970.db2.gz ZYPMMYYWDMXQLU-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@H]([NH2+][C@H]2CCC23CCCC3)C12CCCC2 ZINC000390381954 347336122 /nfs/dbraw/zinc/33/61/22/347336122.db2.gz ZYPMMYYWDMXQLU-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C1(C2CC2)CC1 ZINC000390401904 539021396 /nfs/dbraw/zinc/02/13/96/539021396.db2.gz ACZUCKZCUJKSAQ-GFCCVEGCSA-N 1 0 235.396 3.601 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C1(C2CC2)CC1 ZINC000390401907 539021806 /nfs/dbraw/zinc/02/18/06/539021806.db2.gz ACZUCKZCUJKSAQ-LBPRGKRZSA-N 1 0 235.396 3.601 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000390403879 323084427 /nfs/dbraw/zinc/08/44/27/323084427.db2.gz ATXFCTIOGPZVEN-CYBMUJFWSA-N 1 0 237.774 3.661 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000390403881 323084425 /nfs/dbraw/zinc/08/44/25/323084425.db2.gz ATXFCTIOGPZVEN-ZDUSSCGKSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H](C)C1CCCCC1 ZINC000390409678 259387766 /nfs/dbraw/zinc/38/77/66/259387766.db2.gz DGLQMQKOSJOHJS-CHWSQXEVSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H](C)C1CCCCC1 ZINC000390409680 259387712 /nfs/dbraw/zinc/38/77/12/259387712.db2.gz DGLQMQKOSJOHJS-OLZOCXBDSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@H](C)C1CCCCC1 ZINC000390409682 259387853 /nfs/dbraw/zinc/38/78/53/259387853.db2.gz DGLQMQKOSJOHJS-QWHCGFSZSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]CCCCF)C1CCCCC1 ZINC000390409684 259387804 /nfs/dbraw/zinc/38/78/04/259387804.db2.gz DGLQMQKOSJOHJS-STQMWFEESA-N 1 0 229.383 3.931 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000390413406 259387709 /nfs/dbraw/zinc/38/77/09/259387709.db2.gz FZWMGCVJNCDZQB-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000390414746 259387720 /nfs/dbraw/zinc/38/77/20/259387720.db2.gz GQZAPUCAUZYYDF-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000390414747 259387685 /nfs/dbraw/zinc/38/76/85/259387685.db2.gz GQZAPUCAUZYYDF-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000390414748 259387660 /nfs/dbraw/zinc/38/76/60/259387660.db2.gz GQZAPUCAUZYYDF-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000390414749 259387638 /nfs/dbraw/zinc/38/76/38/259387638.db2.gz GQZAPUCAUZYYDF-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000390415757 259387732 /nfs/dbraw/zinc/38/77/32/259387732.db2.gz HDVSDBAENRFKBX-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000390415758 259387864 /nfs/dbraw/zinc/38/78/64/259387864.db2.gz HDVSDBAENRFKBX-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000390415759 259387684 /nfs/dbraw/zinc/38/76/84/259387684.db2.gz HDVSDBAENRFKBX-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000390415761 259387816 /nfs/dbraw/zinc/38/78/16/259387816.db2.gz HDVSDBAENRFKBX-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)[C@H]1C ZINC000390416217 259387843 /nfs/dbraw/zinc/38/78/43/259387843.db2.gz HIOIHMJVYOLUAI-IHOMSZDFSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)[C@H]1C ZINC000390416218 259387867 /nfs/dbraw/zinc/38/78/67/259387867.db2.gz HIOIHMJVYOLUAI-IUCKATPISA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)[C@@H]1C ZINC000390416219 259387749 /nfs/dbraw/zinc/38/77/49/259387749.db2.gz HIOIHMJVYOLUAI-KLTVKPSUSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)[C@@H]1C ZINC000390416220 259387626 /nfs/dbraw/zinc/38/76/26/259387626.db2.gz HIOIHMJVYOLUAI-KOXOONSLSA-N 1 0 235.396 3.833 20 0 BHADRO CC1(C)CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000390419268 259387643 /nfs/dbraw/zinc/38/76/43/259387643.db2.gz IWYCJLNUJJBPPU-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000390420044 259387671 /nfs/dbraw/zinc/38/76/71/259387671.db2.gz JFIHJJWEPLUOCP-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000390420046 259387688 /nfs/dbraw/zinc/38/76/88/259387688.db2.gz JFIHJJWEPLUOCP-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000390420048 259387707 /nfs/dbraw/zinc/38/77/07/259387707.db2.gz JFIHJJWEPLUOCP-QNWHQSFQSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000390420049 259387690 /nfs/dbraw/zinc/38/76/90/259387690.db2.gz JFIHJJWEPLUOCP-ZDEQEGDKSA-N 1 0 241.444 3.685 20 0 BHADRO CSc1cccc(F)c1C[NH2+]CC(C)(C)C ZINC000390421701 259388380 /nfs/dbraw/zinc/38/83/80/259388380.db2.gz KCEXBCZQNAWLDR-UHFFFAOYSA-N 1 0 241.375 3.683 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CCC1(F)CCC1 ZINC000390422990 357092529 /nfs/dbraw/zinc/09/25/29/357092529.db2.gz LALQFWIGLFDVGY-LLVKDONJSA-N 1 0 241.375 3.551 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CCC1(F)CCC1 ZINC000390422997 357092688 /nfs/dbraw/zinc/09/26/88/357092688.db2.gz LALQFWIGLFDVGY-NSHDSACASA-N 1 0 241.375 3.551 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCF)C(C)(C)C ZINC000390427900 259388259 /nfs/dbraw/zinc/38/82/59/259388259.db2.gz NJFMOYIRJWDDQG-CYBMUJFWSA-N 1 0 223.335 3.641 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCF)C(C)(C)C ZINC000390427908 259388176 /nfs/dbraw/zinc/38/81/76/259388176.db2.gz NJFMOYIRJWDDQG-ZDUSSCGKSA-N 1 0 223.335 3.641 20 0 BHADRO CC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000390428582 259388166 /nfs/dbraw/zinc/38/81/66/259388166.db2.gz NUBKVNPSZAKGTR-UHFFFAOYSA-N 1 0 217.356 3.542 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)C1CCCCC1 ZINC000390428583 259388192 /nfs/dbraw/zinc/38/81/92/259388192.db2.gz NUEDBCGOOBHJPC-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)C1CCCCC1 ZINC000390428584 259388130 /nfs/dbraw/zinc/38/81/30/259388130.db2.gz NUEDBCGOOBHJPC-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2CC)C1 ZINC000390428594 259388375 /nfs/dbraw/zinc/38/83/75/259388375.db2.gz NUQPIYMOGUAFBO-FQUUOJAGSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2CC)C1 ZINC000390428596 259388372 /nfs/dbraw/zinc/38/83/72/259388372.db2.gz NUQPIYMOGUAFBO-IGQOVBAYSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2CC)C1 ZINC000390428597 259388387 /nfs/dbraw/zinc/38/83/87/259388387.db2.gz NUQPIYMOGUAFBO-RQJABVFESA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2CC)C1 ZINC000390428599 259388389 /nfs/dbraw/zinc/38/83/89/259388389.db2.gz NUQPIYMOGUAFBO-XJFOESAGSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)=CC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000390430136 539021514 /nfs/dbraw/zinc/02/15/14/539021514.db2.gz OXUGBUWCJCMISB-AWEZNQCLSA-N 1 0 217.356 3.654 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000390430137 539021357 /nfs/dbraw/zinc/02/13/57/539021357.db2.gz OXUGBUWCJCMISB-CQSZACIVSA-N 1 0 217.356 3.654 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC1CCCC1 ZINC000390432148 259388870 /nfs/dbraw/zinc/38/88/70/259388870.db2.gz AOKVEVLLBNCNBT-ILXRZTDVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC1CCCC1 ZINC000390432365 259388737 /nfs/dbraw/zinc/38/87/37/259388737.db2.gz AOKVEVLLBNCNBT-KFWWJZLASA-N 1 0 221.388 3.735 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000390433922 259388628 /nfs/dbraw/zinc/38/86/28/259388628.db2.gz BFOGFGLMQGPRMI-BNOWGMLFSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000390433924 259388594 /nfs/dbraw/zinc/38/85/94/259388594.db2.gz BFOGFGLMQGPRMI-IACUBPJLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000390434369 259388453 /nfs/dbraw/zinc/38/84/53/259388453.db2.gz BIVVPDHKGPSSGZ-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000390434377 259388921 /nfs/dbraw/zinc/38/89/21/259388921.db2.gz BIVVPDHKGPSSGZ-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000390434380 259388505 /nfs/dbraw/zinc/38/85/05/259388505.db2.gz BIVVPDHKGPSSGZ-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@H](C)F ZINC000390434382 259388700 /nfs/dbraw/zinc/38/87/00/259388700.db2.gz BIVVPDHKGPSSGZ-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000390434395 259449110 /nfs/dbraw/zinc/44/91/10/259449110.db2.gz REOICJMMEKZGLI-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC(C)(C)C1 ZINC000390434397 259388636 /nfs/dbraw/zinc/38/86/36/259388636.db2.gz REOICJMMEKZGLI-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000390434399 259388573 /nfs/dbraw/zinc/38/85/73/259388573.db2.gz REOICJMMEKZGLI-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC(C)(C)C1 ZINC000390434400 259388829 /nfs/dbraw/zinc/38/88/29/259388829.db2.gz REOICJMMEKZGLI-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCCF ZINC000390435386 259388929 /nfs/dbraw/zinc/38/89/29/259388929.db2.gz RSSXZIMNXGCLRZ-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCCCF ZINC000390435389 259388889 /nfs/dbraw/zinc/38/88/89/259388889.db2.gz RSSXZIMNXGCLRZ-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1C ZINC000390435705 259388713 /nfs/dbraw/zinc/38/87/13/259388713.db2.gz RZGVQKKZPOWGDC-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1C ZINC000390435706 259388614 /nfs/dbraw/zinc/38/86/14/259388614.db2.gz RZGVQKKZPOWGDC-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000390435707 259388735 /nfs/dbraw/zinc/38/87/35/259388735.db2.gz RZGVQKKZPOWGDC-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1C ZINC000390435708 259388682 /nfs/dbraw/zinc/38/86/82/259388682.db2.gz RZGVQKKZPOWGDC-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000390436830 259388463 /nfs/dbraw/zinc/38/84/63/259388463.db2.gz SNVXNDNOXGOLQQ-GFCCVEGCSA-N 1 0 221.319 3.833 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000390436836 259388555 /nfs/dbraw/zinc/38/85/55/259388555.db2.gz SNVXNDNOXGOLQQ-LBPRGKRZSA-N 1 0 221.319 3.833 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2sccc2c1)C1CC1 ZINC000390437486 259388746 /nfs/dbraw/zinc/38/87/46/259388746.db2.gz SYKVCEVFUVZXSS-JTQLQIEISA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2sccc2c1)C1CC1 ZINC000390437489 259388679 /nfs/dbraw/zinc/38/86/79/259388679.db2.gz SYKVCEVFUVZXSS-SNVBAGLBSA-N 1 0 231.364 3.789 20 0 BHADRO CSC1(C[NH2+]CCC2=CCCCCC2)CC1 ZINC000390438513 259388678 /nfs/dbraw/zinc/38/86/78/259388678.db2.gz UEVVHULDIAVYFJ-UHFFFAOYSA-N 1 0 239.428 3.752 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)C(C)(C)C ZINC000390439237 491103639 /nfs/dbraw/zinc/10/36/39/491103639.db2.gz UNSHSHCHSFUKAT-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](C)C(C)(C)C ZINC000390439238 491103636 /nfs/dbraw/zinc/10/36/36/491103636.db2.gz UNSHSHCHSFUKAT-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](C)C(C)(C)C ZINC000390439239 491103615 /nfs/dbraw/zinc/10/36/15/491103615.db2.gz UNSHSHCHSFUKAT-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)C(C)(C)C ZINC000390439240 491103638 /nfs/dbraw/zinc/10/36/38/491103638.db2.gz UNSHSHCHSFUKAT-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)C1CCC(F)(F)CC1 ZINC000390440423 539021332 /nfs/dbraw/zinc/02/13/32/539021332.db2.gz VDZJTAZYQUEXPF-JTQLQIEISA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)C1CCC(F)(F)CC1 ZINC000390440425 539021669 /nfs/dbraw/zinc/02/16/69/539021669.db2.gz VDZJTAZYQUEXPF-SNVBAGLBSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000390442732 387327438 /nfs/dbraw/zinc/32/74/38/387327438.db2.gz WDHQOFDMRQXZRA-MDZLAQPJSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000390442733 387326435 /nfs/dbraw/zinc/32/64/35/387326435.db2.gz WDHQOFDMRQXZRA-NQBHXWOUSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000390442977 387326384 /nfs/dbraw/zinc/32/63/84/387326384.db2.gz WDHQOFDMRQXZRA-NTZNESFSSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000390442980 357093099 /nfs/dbraw/zinc/09/30/99/357093099.db2.gz WDHQOFDMRQXZRA-WZRBSPASSA-N 1 0 237.412 3.703 20 0 BHADRO C/C=C/C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000390443676 539021565 /nfs/dbraw/zinc/02/15/65/539021565.db2.gz WOXBAMSJUNYOIP-FAAWYNLUSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C\C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000390443821 539021660 /nfs/dbraw/zinc/02/16/60/539021660.db2.gz WOXBAMSJUNYOIP-GWQWAINWSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C\C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000390443822 539022358 /nfs/dbraw/zinc/02/23/58/539022358.db2.gz WOXBAMSJUNYOIP-MPNWYJEXSA-N 1 0 215.340 3.694 20 0 BHADRO C/C=C/C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000390443824 539022012 /nfs/dbraw/zinc/02/20/12/539022012.db2.gz WOXBAMSJUNYOIP-XYBNCVKDSA-N 1 0 215.340 3.694 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000390443903 634217174 /nfs/dbraw/zinc/21/71/74/634217174.db2.gz WRRAOMJBAQJGPD-LLVKDONJSA-N 1 0 217.312 3.711 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000390443904 539022360 /nfs/dbraw/zinc/02/23/60/539022360.db2.gz WRRAOMJBAQJGPD-NSHDSACASA-N 1 0 217.312 3.711 20 0 BHADRO C[C@H]1C[C@@]1([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000390445023 259388722 /nfs/dbraw/zinc/38/87/22/259388722.db2.gz XDWNWTOHTRYLQN-HZMBPMFUSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@H]1C[C@]1([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000390445024 259388950 /nfs/dbraw/zinc/38/89/50/259388950.db2.gz XDWNWTOHTRYLQN-IINYFYTJSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@@H]1C[C@]1([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000390445025 259388881 /nfs/dbraw/zinc/38/88/81/259388881.db2.gz XDWNWTOHTRYLQN-QMTHXVAHSA-N 1 0 235.758 3.575 20 0 BHADRO C[C@@H]1C[C@@]1([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000390445026 259388469 /nfs/dbraw/zinc/38/84/69/259388469.db2.gz XDWNWTOHTRYLQN-YGRLFVJLSA-N 1 0 235.758 3.575 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C)C(C)(C)C ZINC000390446360 711117348 /nfs/dbraw/zinc/11/73/48/711117348.db2.gz XUXWMCWPPWOTBQ-LLVKDONJSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C)C(C)(C)C ZINC000390446362 711117519 /nfs/dbraw/zinc/11/75/19/711117519.db2.gz XUXWMCWPPWOTBQ-NSHDSACASA-N 1 0 223.335 3.658 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000390448081 711118156 /nfs/dbraw/zinc/11/81/56/711118156.db2.gz YKGUUJNPSQFZLM-CHWSQXEVSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000390448086 711117463 /nfs/dbraw/zinc/11/74/63/711117463.db2.gz YKGUUJNPSQFZLM-OLZOCXBDSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000390448091 712417923 /nfs/dbraw/zinc/41/79/23/712417923.db2.gz YKGUUJNPSQFZLM-QWHCGFSZSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000390448097 712417919 /nfs/dbraw/zinc/41/79/19/712417919.db2.gz YKGUUJNPSQFZLM-STQMWFEESA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC([NH2+]CCSc2ccccc2)C1 ZINC000390448598 259389179 /nfs/dbraw/zinc/38/91/79/259389179.db2.gz YNIPONGWOWTQPJ-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO Cc1cc(C[NH2+]C2CC(F)(F)C2)ccc1Cl ZINC000390449706 259389084 /nfs/dbraw/zinc/38/90/84/259389084.db2.gz YZUJKRGSFBBTQK-UHFFFAOYSA-N 1 0 245.700 3.536 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000390449750 259389193 /nfs/dbraw/zinc/38/91/93/259389193.db2.gz ZCENQCQHSBONGR-AWEZNQCLSA-N 1 0 217.356 3.920 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000390449751 259389190 /nfs/dbraw/zinc/38/91/90/259389190.db2.gz ZCENQCQHSBONGR-CQSZACIVSA-N 1 0 217.356 3.920 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCC(C)(C)C ZINC000390452605 259389905 /nfs/dbraw/zinc/38/99/05/259389905.db2.gz BSTHAICKNSCJHR-JTQLQIEISA-N 1 0 241.400 3.844 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000390452616 259389667 /nfs/dbraw/zinc/38/96/67/259389667.db2.gz BSTHAICKNSCJHR-SNVBAGLBSA-N 1 0 241.400 3.844 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000390453105 259389808 /nfs/dbraw/zinc/38/98/08/259389808.db2.gz BVELQWUIGLYDRL-NXEZZACHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000390453106 259389680 /nfs/dbraw/zinc/38/96/80/259389680.db2.gz BVELQWUIGLYDRL-UWVGGRQHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000390453107 259389920 /nfs/dbraw/zinc/38/99/20/259389920.db2.gz BVELQWUIGLYDRL-VHSXEESVSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000390453108 259389644 /nfs/dbraw/zinc/38/96/44/259389644.db2.gz BVELQWUIGLYDRL-ZJUUUORDSA-N 1 0 234.368 3.745 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC1(F)CCC1 ZINC000390456450 259389907 /nfs/dbraw/zinc/38/99/07/259389907.db2.gz DAWHVVMZZPDEHC-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC1(F)CCC1 ZINC000390456452 259389830 /nfs/dbraw/zinc/38/98/30/259389830.db2.gz DAWHVVMZZPDEHC-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000390458176 711118787 /nfs/dbraw/zinc/11/87/87/711118787.db2.gz DQFFUXHVCIPNAH-UHFFFAOYSA-N 1 0 240.778 3.712 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000390458244 259389095 /nfs/dbraw/zinc/38/90/95/259389095.db2.gz DTGRJKVOPWUUQE-CHWSQXEVSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000390458245 259389090 /nfs/dbraw/zinc/38/90/90/259389090.db2.gz DTGRJKVOPWUUQE-OLZOCXBDSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000390458246 259389303 /nfs/dbraw/zinc/38/93/03/259389303.db2.gz DTGRJKVOPWUUQE-QWHCGFSZSA-N 1 0 223.335 3.702 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000390458247 259389112 /nfs/dbraw/zinc/38/91/12/259389112.db2.gz DTGRJKVOPWUUQE-STQMWFEESA-N 1 0 223.335 3.702 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccnc1Cl ZINC000390458515 711119419 /nfs/dbraw/zinc/11/94/19/711119419.db2.gz DVOKHZPCNPARHH-GMTAPVOTSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccnc1Cl ZINC000390458517 711119094 /nfs/dbraw/zinc/11/90/94/711119094.db2.gz DVOKHZPCNPARHH-MXWKQRLJSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccnc1Cl ZINC000390458518 711119020 /nfs/dbraw/zinc/11/90/20/711119020.db2.gz DVOKHZPCNPARHH-OUAUKWLOSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccnc1Cl ZINC000390458519 711119186 /nfs/dbraw/zinc/11/91/86/711119186.db2.gz DVOKHZPCNPARHH-VWYCJHECSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390462928 539022059 /nfs/dbraw/zinc/02/20/59/539022059.db2.gz GPXKWONLKOAILC-GXSJLCMTSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390462929 539022338 /nfs/dbraw/zinc/02/23/38/539022338.db2.gz GPXKWONLKOAILC-KOLCDFICSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390462931 539022185 /nfs/dbraw/zinc/02/21/85/539022185.db2.gz GPXKWONLKOAILC-MWLCHTKSSA-N 1 0 241.762 3.847 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390462937 539022197 /nfs/dbraw/zinc/02/21/97/539022197.db2.gz GPXKWONLKOAILC-ONGXEEELSA-N 1 0 241.762 3.847 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C)(C)C1CC1 ZINC000390462969 357094529 /nfs/dbraw/zinc/09/45/29/357094529.db2.gz GQXKHILSSYICQQ-GXTWGEPZSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C)(C)C1CC1 ZINC000390462970 357094584 /nfs/dbraw/zinc/09/45/84/357094584.db2.gz GQXKHILSSYICQQ-JSGCOSHPSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C)(C)C1CC1 ZINC000390462971 357094544 /nfs/dbraw/zinc/09/45/44/357094544.db2.gz GQXKHILSSYICQQ-OCCSQVGLSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)C1CC1 ZINC000390462972 357094588 /nfs/dbraw/zinc/09/45/88/357094588.db2.gz GQXKHILSSYICQQ-TZMCWYRMSA-N 1 0 221.388 3.757 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CC2)ccc1F ZINC000390463018 259389827 /nfs/dbraw/zinc/38/98/27/259389827.db2.gz GSBWPJISCCWWHK-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CC2)ccc1F ZINC000390463021 259389620 /nfs/dbraw/zinc/38/96/20/259389620.db2.gz GSBWPJISCCWWHK-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1c(F)cccc1Cl ZINC000390464407 259389803 /nfs/dbraw/zinc/38/98/03/259389803.db2.gz FCRPEYLRKRCFON-SECBINFHSA-N 1 0 241.737 3.930 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1c(F)cccc1Cl ZINC000390464408 259389837 /nfs/dbraw/zinc/38/98/37/259389837.db2.gz FCRPEYLRKRCFON-VIFPVBQESA-N 1 0 241.737 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000390464883 259389807 /nfs/dbraw/zinc/38/98/07/259389807.db2.gz HKWSARXGACACJJ-AGIUHOORSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000390464887 259389855 /nfs/dbraw/zinc/38/98/55/259389855.db2.gz HKWSARXGACACJJ-AVGNSLFASA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000390464888 259389826 /nfs/dbraw/zinc/38/98/26/259389826.db2.gz HKWSARXGACACJJ-FRRDWIJNSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000390465058 259389735 /nfs/dbraw/zinc/38/97/35/259389735.db2.gz HKWSARXGACACJJ-RWMBFGLXSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccsc1 ZINC000390466543 488157532 /nfs/dbraw/zinc/15/75/32/488157532.db2.gz HYUALNHCEYVLMR-LLVKDONJSA-N 1 0 241.400 3.604 20 0 BHADRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccsc1 ZINC000390466544 488157379 /nfs/dbraw/zinc/15/73/79/488157379.db2.gz HYUALNHCEYVLMR-NSHDSACASA-N 1 0 241.400 3.604 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCCF)cc1 ZINC000390467960 259390401 /nfs/dbraw/zinc/39/04/01/259390401.db2.gz GGQLVVPBASUFFU-GFCCVEGCSA-N 1 0 223.335 3.649 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000390469307 259390325 /nfs/dbraw/zinc/39/03/25/259390325.db2.gz ITFCBWWNTMCINZ-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000390469308 259390080 /nfs/dbraw/zinc/39/00/80/259390080.db2.gz ITFCBWWNTMCINZ-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000390469309 259390414 /nfs/dbraw/zinc/39/04/14/259390414.db2.gz ITFCBWWNTMCINZ-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000390469310 259390264 /nfs/dbraw/zinc/39/02/64/259390264.db2.gz ITFCBWWNTMCINZ-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000390469869 259390070 /nfs/dbraw/zinc/39/00/70/259390070.db2.gz BPBAYJGZYAYLSX-CYBMUJFWSA-N 1 0 227.367 3.829 20 0 BHADRO FCCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000390469870 259390206 /nfs/dbraw/zinc/39/02/06/259390206.db2.gz BPBAYJGZYAYLSX-ZDUSSCGKSA-N 1 0 227.367 3.829 20 0 BHADRO CCC1CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000390470371 259390369 /nfs/dbraw/zinc/39/03/69/259390369.db2.gz IZQYHCXOVXLQBN-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000390474220 259390341 /nfs/dbraw/zinc/39/03/41/259390341.db2.gz IJEVRFKDJFZDSP-AWEZNQCLSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000390474222 259390387 /nfs/dbraw/zinc/39/03/87/259390387.db2.gz IJEVRFKDJFZDSP-CQSZACIVSA-N 1 0 217.356 3.527 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000390476996 712418982 /nfs/dbraw/zinc/41/89/82/712418982.db2.gz LCOMWQGAYLTDGO-CMPLNLGQSA-N 1 0 241.400 3.522 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000390476998 712419024 /nfs/dbraw/zinc/41/90/24/712419024.db2.gz LCOMWQGAYLTDGO-JQWIXIFHSA-N 1 0 241.400 3.522 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000390476999 712419032 /nfs/dbraw/zinc/41/90/32/712419032.db2.gz LCOMWQGAYLTDGO-PWSUYJOCSA-N 1 0 241.400 3.522 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000390477001 712418986 /nfs/dbraw/zinc/41/89/86/712418986.db2.gz LCOMWQGAYLTDGO-ZYHUDNBSSA-N 1 0 241.400 3.522 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000390477829 259390430 /nfs/dbraw/zinc/39/04/30/259390430.db2.gz JYYHOADVGFJDTD-HZSPNIEDSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000390477830 259390452 /nfs/dbraw/zinc/39/04/52/259390452.db2.gz JYYHOADVGFJDTD-MCIONIFRSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000390477831 259390412 /nfs/dbraw/zinc/39/04/12/259390412.db2.gz JYYHOADVGFJDTD-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000390477832 259390415 /nfs/dbraw/zinc/39/04/15/259390415.db2.gz JYYHOADVGFJDTD-RDBSUJKOSA-N 1 0 221.388 3.878 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccncc1 ZINC000390479033 539022633 /nfs/dbraw/zinc/02/26/33/539022633.db2.gz MBOFZKHHPYUJQT-GFCCVEGCSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccncc1 ZINC000390479035 539022474 /nfs/dbraw/zinc/02/24/74/539022474.db2.gz MBOFZKHHPYUJQT-LBPRGKRZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(Cl)cn1 ZINC000390479047 357095692 /nfs/dbraw/zinc/09/56/92/357095692.db2.gz MBVZDLLMQHUSRD-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCCC1)C(F)(F)F ZINC000390479682 259390377 /nfs/dbraw/zinc/39/03/77/259390377.db2.gz MEUUSIDSDXLGJT-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCCC1)C(F)(F)F ZINC000390479691 259390177 /nfs/dbraw/zinc/39/01/77/259390177.db2.gz MEUUSIDSDXLGJT-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO CCSCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000390479963 259390354 /nfs/dbraw/zinc/39/03/54/259390354.db2.gz KZARQGMHLFYXBC-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000390479965 259390073 /nfs/dbraw/zinc/39/00/73/259390073.db2.gz KZARQGMHLFYXBC-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccco1 ZINC000390480038 259390137 /nfs/dbraw/zinc/39/01/37/259390137.db2.gz MKUAHWWHPYOQPR-CHWSQXEVSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccco1 ZINC000390480039 259390059 /nfs/dbraw/zinc/39/00/59/259390059.db2.gz MKUAHWWHPYOQPR-OLZOCXBDSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccco1 ZINC000390480040 259390427 /nfs/dbraw/zinc/39/04/27/259390427.db2.gz MKUAHWWHPYOQPR-QWHCGFSZSA-N 1 0 221.344 3.586 20 0 BHADRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccco1 ZINC000390480041 259390271 /nfs/dbraw/zinc/39/02/71/259390271.db2.gz MKUAHWWHPYOQPR-STQMWFEESA-N 1 0 221.344 3.586 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000390480076 259390171 /nfs/dbraw/zinc/39/01/71/259390171.db2.gz MMZYYRPVXLZGOQ-GFCCVEGCSA-N 1 0 217.356 3.842 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000390480078 259390422 /nfs/dbraw/zinc/39/04/22/259390422.db2.gz MMZYYRPVXLZGOQ-LBPRGKRZSA-N 1 0 217.356 3.842 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)C1CCC(F)(F)CC1 ZINC000390480960 259390200 /nfs/dbraw/zinc/39/02/00/259390200.db2.gz MUFZIGZUZZWNFF-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)C1CCC(F)(F)CC1 ZINC000390480961 259390257 /nfs/dbraw/zinc/39/02/57/259390257.db2.gz MUFZIGZUZZWNFF-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CCCCF)s1 ZINC000390481199 259390359 /nfs/dbraw/zinc/39/03/59/259390359.db2.gz LIKZHAJPGZVMME-UHFFFAOYSA-N 1 0 243.391 3.885 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C1(C)CC1 ZINC000390484149 711120796 /nfs/dbraw/zinc/12/07/96/711120796.db2.gz NZYCVWMNFMIUTF-SECBINFHSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C1(C)CC1 ZINC000390484150 711120450 /nfs/dbraw/zinc/12/04/50/711120450.db2.gz NZYCVWMNFMIUTF-VIFPVBQESA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCCCS1 ZINC000390484739 259390571 /nfs/dbraw/zinc/39/05/71/259390571.db2.gz ODVZBPSZHTWMIY-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCCCS1 ZINC000390484741 259390674 /nfs/dbraw/zinc/39/06/74/259390674.db2.gz ODVZBPSZHTWMIY-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCCCS1 ZINC000390484742 259390539 /nfs/dbraw/zinc/39/05/39/259390539.db2.gz ODVZBPSZHTWMIY-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCCCS1 ZINC000390484746 259390580 /nfs/dbraw/zinc/39/05/80/259390580.db2.gz ODVZBPSZHTWMIY-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000390485679 259390518 /nfs/dbraw/zinc/39/05/18/259390518.db2.gz OOYGMQDDPHLPOB-ABAIWWIYSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000390485680 259390508 /nfs/dbraw/zinc/39/05/08/259390508.db2.gz OOYGMQDDPHLPOB-IAQYHMDHSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000390485943 259390575 /nfs/dbraw/zinc/39/05/75/259390575.db2.gz OOYGMQDDPHLPOB-NHYWBVRUSA-N 1 0 217.356 3.618 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000390485944 259390584 /nfs/dbraw/zinc/39/05/84/259390584.db2.gz OOYGMQDDPHLPOB-XHDPSFHLSA-N 1 0 217.356 3.618 20 0 BHADRO CC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000390486154 259390611 /nfs/dbraw/zinc/39/06/11/259390611.db2.gz OSMGESAMHLXLBX-UHFFFAOYSA-N 1 0 231.261 3.550 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cc2c(s1)CCC2 ZINC000390486984 385344281 /nfs/dbraw/zinc/34/42/81/385344281.db2.gz OYZDIVZMXQAYRS-JTQLQIEISA-N 1 0 237.412 3.934 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc2c(s1)CCC2 ZINC000390486986 385343343 /nfs/dbraw/zinc/34/33/43/385343343.db2.gz OYZDIVZMXQAYRS-SNVBAGLBSA-N 1 0 237.412 3.934 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000390487023 385343653 /nfs/dbraw/zinc/34/36/53/385343653.db2.gz OZNLYQSGLUDBDC-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCC12CCCC2 ZINC000390487028 385343794 /nfs/dbraw/zinc/34/37/94/385343794.db2.gz OZNLYQSGLUDBDC-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1C ZINC000390487544 259390630 /nfs/dbraw/zinc/39/06/30/259390630.db2.gz PETVDRDERWSRIT-BZPMIXESSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)[C@H]1C ZINC000390487545 259390520 /nfs/dbraw/zinc/39/05/20/259390520.db2.gz PETVDRDERWSRIT-DYEKYZERSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@H]1C ZINC000390487546 259390517 /nfs/dbraw/zinc/39/05/17/259390517.db2.gz PETVDRDERWSRIT-MBNYWOFBSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1C ZINC000390487547 259390651 /nfs/dbraw/zinc/39/06/51/259390651.db2.gz PETVDRDERWSRIT-YRGRVCCFSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)c1cccs1 ZINC000390489838 259390477 /nfs/dbraw/zinc/39/04/77/259390477.db2.gz PBRQRPVCLOVQKA-LLVKDONJSA-N 1 0 237.412 3.804 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)c1cccs1 ZINC000390489839 259390598 /nfs/dbraw/zinc/39/05/98/259390598.db2.gz PBRQRPVCLOVQKA-NSHDSACASA-N 1 0 237.412 3.804 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000390490145 385344842 /nfs/dbraw/zinc/34/48/42/385344842.db2.gz QAOMCVKCRYDEHV-RFQIPJPRSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000390490147 262740708 /nfs/dbraw/zinc/74/07/08/262740708.db2.gz QAOMCVKCRYDEHV-XDQVBPFNSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000390490149 385345201 /nfs/dbraw/zinc/34/52/01/385345201.db2.gz QAOMCVKCRYDEHV-YIYPIFLZSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000390490152 385344821 /nfs/dbraw/zinc/34/48/21/385344821.db2.gz QAOMCVKCRYDEHV-ZOBORPQBSA-N 1 0 241.444 3.685 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000390492044 262740704 /nfs/dbraw/zinc/74/07/04/262740704.db2.gz AOMPZXZOBOAXOV-GXTWGEPZSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000390492045 385343490 /nfs/dbraw/zinc/34/34/90/385343490.db2.gz AOMPZXZOBOAXOV-JSGCOSHPSA-N 1 0 217.356 3.834 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCC1CC1 ZINC000390494240 259390997 /nfs/dbraw/zinc/39/09/97/259390997.db2.gz RGNXUANOKHDLNA-CYBMUJFWSA-N 1 0 217.356 3.754 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCC1CC1 ZINC000390494248 259391008 /nfs/dbraw/zinc/39/10/08/259391008.db2.gz RGNXUANOKHDLNA-ZDUSSCGKSA-N 1 0 217.356 3.754 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000390498284 259391068 /nfs/dbraw/zinc/39/10/68/259391068.db2.gz SCDUJFWNKLCQLZ-GFCCVEGCSA-N 1 0 241.737 3.757 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000390498286 259390877 /nfs/dbraw/zinc/39/08/77/259390877.db2.gz SCDUJFWNKLCQLZ-LBPRGKRZSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@H](F)CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000390498484 259390938 /nfs/dbraw/zinc/39/09/38/259390938.db2.gz SWXGFIJCQOYOTL-JTQLQIEISA-N 1 0 243.753 3.913 20 0 BHADRO C[C@@H](F)CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000390498485 259390995 /nfs/dbraw/zinc/39/09/95/259390995.db2.gz SWXGFIJCQOYOTL-SNVBAGLBSA-N 1 0 243.753 3.913 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000390499452 356824470 /nfs/dbraw/zinc/82/44/70/356824470.db2.gz UAXTVVMWSKGIPP-CHWSQXEVSA-N 1 0 239.428 3.583 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000390501410 259391454 /nfs/dbraw/zinc/39/14/54/259391454.db2.gz UTPWEGNCBDEULU-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000390501411 259391284 /nfs/dbraw/zinc/39/12/84/259391284.db2.gz UTPWEGNCBDEULU-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000390501412 259391342 /nfs/dbraw/zinc/39/13/42/259391342.db2.gz UTPWEGNCBDEULU-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000390501413 259391443 /nfs/dbraw/zinc/39/14/43/259391443.db2.gz UTPWEGNCBDEULU-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1CC(C(C)C)C1 ZINC000390501714 259391403 /nfs/dbraw/zinc/39/14/03/259391403.db2.gz UXSGGDSZMULEPM-HSOILSAZSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C1CC(C(C)C)C1 ZINC000390501716 259391490 /nfs/dbraw/zinc/39/14/90/259391490.db2.gz UXSGGDSZMULEPM-YVNMAJEFSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(C)C ZINC000390501983 347371218 /nfs/dbraw/zinc/37/12/18/347371218.db2.gz VBRPBUQRIOSXKV-GFCCVEGCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)C(C)C ZINC000390501984 347371320 /nfs/dbraw/zinc/37/13/20/347371320.db2.gz VBRPBUQRIOSXKV-LBPRGKRZSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000390502029 347371176 /nfs/dbraw/zinc/37/11/76/347371176.db2.gz VDZNYCCSLRSLJG-SSDOTTSWSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000390502030 347371170 /nfs/dbraw/zinc/37/11/70/347371170.db2.gz VDZNYCCSLRSLJG-ZETCQYMHSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1ccoc1 ZINC000390503174 357098617 /nfs/dbraw/zinc/09/86/17/357098617.db2.gz VSIXTYGKDIATHA-GFCCVEGCSA-N 1 0 221.344 3.901 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1ccoc1 ZINC000390503176 357098727 /nfs/dbraw/zinc/09/87/27/357098727.db2.gz VSIXTYGKDIATHA-LBPRGKRZSA-N 1 0 221.344 3.901 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(CC)(CC)OC ZINC000390503779 711121603 /nfs/dbraw/zinc/12/16/03/711121603.db2.gz VLHRWGPIMCEZLC-CYBMUJFWSA-N 1 0 229.408 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(CC)(CC)OC ZINC000390503781 711121404 /nfs/dbraw/zinc/12/14/04/711121404.db2.gz VLHRWGPIMCEZLC-ZDUSSCGKSA-N 1 0 229.408 3.750 20 0 BHADRO CSC1(C[NH2+][C@H](C)CC2CCCC2)CCC1 ZINC000390506433 259391421 /nfs/dbraw/zinc/39/14/21/259391421.db2.gz XIHVHLARNZNEDE-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CC2CCCC2)CCC1 ZINC000390506434 259391256 /nfs/dbraw/zinc/39/12/56/259391256.db2.gz XIHVHLARNZNEDE-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C[C@@H]1C ZINC000390508219 634230828 /nfs/dbraw/zinc/23/08/28/634230828.db2.gz YDJJHISCAKAMAR-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C[C@H]1C ZINC000390508221 634230937 /nfs/dbraw/zinc/23/09/37/634230937.db2.gz YDJJHISCAKAMAR-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)ccc1F ZINC000390508349 259391384 /nfs/dbraw/zinc/39/13/84/259391384.db2.gz YFSOMFXSTZNVDY-GHMZBOCLSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H](C)F)ccc1F ZINC000390508350 259391359 /nfs/dbraw/zinc/39/13/59/259391359.db2.gz YFSOMFXSTZNVDY-MNOVXSKESA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H](C)F)ccc1F ZINC000390508351 259391415 /nfs/dbraw/zinc/39/14/15/259391415.db2.gz YFSOMFXSTZNVDY-QWRGUYRKSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H](C)F)ccc1F ZINC000390508352 259391417 /nfs/dbraw/zinc/39/14/17/259391417.db2.gz YFSOMFXSTZNVDY-WDEREUQCSA-N 1 0 227.298 3.533 20 0 BHADRO Cc1cc(CNC(C)(C)C(F)F)ccc1Cl ZINC000390508459 539022530 /nfs/dbraw/zinc/02/25/30/539022530.db2.gz YJTDEDNFIQCLQZ-UHFFFAOYSA-N 1 0 247.716 3.782 20 0 BHADRO CSC1(C[NH2+][C@H](C)CCC=C(C)C)CCC1 ZINC000390508841 259391388 /nfs/dbraw/zinc/39/13/88/259391388.db2.gz YKGCJIDJMJPBKS-CYBMUJFWSA-N 1 0 241.444 3.997 20 0 BHADRO CSC1(C[NH2+][C@@H](C)CCC=C(C)C)CCC1 ZINC000390508842 259391425 /nfs/dbraw/zinc/39/14/25/259391425.db2.gz YKGCJIDJMJPBKS-ZDUSSCGKSA-N 1 0 241.444 3.997 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H](OC)C(C)C ZINC000390508855 711122615 /nfs/dbraw/zinc/12/26/15/711122615.db2.gz YKZBDZHIGVRHOC-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@H](OC)C(C)C ZINC000390508856 711123073 /nfs/dbraw/zinc/12/30/73/711123073.db2.gz YKZBDZHIGVRHOC-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H](OC)C(C)C ZINC000390508858 711122727 /nfs/dbraw/zinc/12/27/27/711122727.db2.gz YKZBDZHIGVRHOC-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C[C@@H](OC)C(C)C ZINC000390508859 711123080 /nfs/dbraw/zinc/12/30/80/711123080.db2.gz YKZBDZHIGVRHOC-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H]([NH2+]CCF)c1ccccc1C(C)(C)C ZINC000390510029 323084567 /nfs/dbraw/zinc/08/45/67/323084567.db2.gz ZCQDVBRQMHPORA-LLVKDONJSA-N 1 0 223.335 3.604 20 0 BHADRO C[C@H]([NH2+]CCF)c1ccccc1C(C)(C)C ZINC000390510031 323084579 /nfs/dbraw/zinc/08/45/79/323084579.db2.gz ZCQDVBRQMHPORA-NSHDSACASA-N 1 0 223.335 3.604 20 0 BHADRO CC[C@](C)([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000390510772 711122393 /nfs/dbraw/zinc/12/23/93/711122393.db2.gz ZJAWDAHYFPJYKO-GUTXKFCHSA-N 1 0 217.356 3.557 20 0 BHADRO CC[C@](C)([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000390510773 711122858 /nfs/dbraw/zinc/12/28/58/711122858.db2.gz ZJAWDAHYFPJYKO-IPYPFGDCSA-N 1 0 217.356 3.557 20 0 BHADRO CC[C@](C)([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000390510774 711122634 /nfs/dbraw/zinc/12/26/34/711122634.db2.gz ZJAWDAHYFPJYKO-NFAWXSAZSA-N 1 0 217.356 3.557 20 0 BHADRO CC[C@](C)([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000390510775 711123166 /nfs/dbraw/zinc/12/31/66/711123166.db2.gz ZJAWDAHYFPJYKO-YDHLFZDLSA-N 1 0 217.356 3.557 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000390511385 259391624 /nfs/dbraw/zinc/39/16/24/259391624.db2.gz ZLIXCMFFAVZJMF-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000390511386 259392040 /nfs/dbraw/zinc/39/20/40/259392040.db2.gz ZLIXCMFFAVZJMF-MCIONIFRSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000390511387 259391638 /nfs/dbraw/zinc/39/16/38/259391638.db2.gz ZLIXCMFFAVZJMF-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000390511388 259392002 /nfs/dbraw/zinc/39/20/02/259392002.db2.gz ZLIXCMFFAVZJMF-RDBSUJKOSA-N 1 0 221.388 3.733 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC2(C)CCCC2)n1 ZINC000390511459 371210512 /nfs/dbraw/zinc/21/05/12/371210512.db2.gz APHROXPXOOORLM-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC2(C)CCCC2)n1 ZINC000390511461 371210399 /nfs/dbraw/zinc/21/03/99/371210399.db2.gz APHROXPXOOORLM-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)o1 ZINC000390512003 711122703 /nfs/dbraw/zinc/12/27/03/711122703.db2.gz ZYYOTCVPALQVLF-GHMZBOCLSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)o1 ZINC000390512004 711123156 /nfs/dbraw/zinc/12/31/56/711123156.db2.gz ZYYOTCVPALQVLF-MNOVXSKESA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)o1 ZINC000390512005 711122841 /nfs/dbraw/zinc/12/28/41/711122841.db2.gz ZYYOTCVPALQVLF-QWRGUYRKSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)o1 ZINC000390512006 711122922 /nfs/dbraw/zinc/12/29/22/711122922.db2.gz ZYYOTCVPALQVLF-WDEREUQCSA-N 1 0 221.344 3.681 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000390519753 259391850 /nfs/dbraw/zinc/39/18/50/259391850.db2.gz DXNHJBPPGFEXRZ-BIGNPOOSSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000390519754 259391962 /nfs/dbraw/zinc/39/19/62/259391962.db2.gz DXNHJBPPGFEXRZ-FZQKWOKYSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000390519755 259391834 /nfs/dbraw/zinc/39/18/34/259391834.db2.gz DXNHJBPPGFEXRZ-IIMNLJJBSA-N 1 0 235.758 3.715 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000390519756 259391777 /nfs/dbraw/zinc/39/17/77/259391777.db2.gz DXNHJBPPGFEXRZ-OWYVNGRQSA-N 1 0 235.758 3.715 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000390522134 259392261 /nfs/dbraw/zinc/39/22/61/259392261.db2.gz GVOCOXBJVCAKJD-DOMZBBRYSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000390522139 259392238 /nfs/dbraw/zinc/39/22/38/259392238.db2.gz GVOCOXBJVCAKJD-IUODEOHRSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000390522140 259392482 /nfs/dbraw/zinc/39/24/82/259392482.db2.gz GVOCOXBJVCAKJD-SWLSCSKDSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000390522141 259392229 /nfs/dbraw/zinc/39/22/29/259392229.db2.gz GVOCOXBJVCAKJD-WFASDCNBSA-N 1 0 217.356 3.698 20 0 BHADRO CCC1(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000390526629 259392480 /nfs/dbraw/zinc/39/24/80/259392480.db2.gz GZETZRZVPRUHFG-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000390526630 259392461 /nfs/dbraw/zinc/39/24/61/259392461.db2.gz GZETZRZVPRUHFG-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000390526631 259392235 /nfs/dbraw/zinc/39/22/35/259392235.db2.gz GZETZRZVPRUHFG-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000390526633 259392220 /nfs/dbraw/zinc/39/22/20/259392220.db2.gz GZETZRZVPRUHFG-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@@H]1CC ZINC000390529934 259392582 /nfs/dbraw/zinc/39/25/82/259392582.db2.gz IDNAEJOBANVIRJ-DZGCQCFKSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@H]1CC ZINC000390529937 259392243 /nfs/dbraw/zinc/39/22/43/259392243.db2.gz IDNAEJOBANVIRJ-HIFRSBDPSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@H]1CC ZINC000390529938 259392359 /nfs/dbraw/zinc/39/23/59/259392359.db2.gz IDNAEJOBANVIRJ-UKRRQHHQSA-N 1 0 217.356 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@@H]1CC ZINC000390529939 259392310 /nfs/dbraw/zinc/39/23/10/259392310.db2.gz IDNAEJOBANVIRJ-ZFWWWQNUSA-N 1 0 217.356 3.527 20 0 BHADRO CCCC1CCC([NH2+]C(C)(C)C(F)F)CC1 ZINC000390531154 539026015 /nfs/dbraw/zinc/02/60/15/539026015.db2.gz IPVSRUDGISFXCV-UHFFFAOYSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000390531557 259392201 /nfs/dbraw/zinc/39/22/01/259392201.db2.gz ITMQXKQRWACHMJ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000390531558 259392274 /nfs/dbraw/zinc/39/22/74/259392274.db2.gz ITMQXKQRWACHMJ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000390531559 259392491 /nfs/dbraw/zinc/39/24/91/259392491.db2.gz ITMQXKQRWACHMJ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000390531560 259392516 /nfs/dbraw/zinc/39/25/16/259392516.db2.gz ITMQXKQRWACHMJ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000390532912 347382704 /nfs/dbraw/zinc/38/27/04/347382704.db2.gz JCILQHMUBSHQQS-MRTXSQPYSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000390532917 347382805 /nfs/dbraw/zinc/38/28/05/347382805.db2.gz JCILQHMUBSHQQS-NDKCEZKHSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000390532920 347383416 /nfs/dbraw/zinc/38/34/16/347383416.db2.gz JCILQHMUBSHQQS-VJTDZRGJSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000390532926 347383491 /nfs/dbraw/zinc/38/34/91/347383491.db2.gz JCILQHMUBSHQQS-ZSLBOAEBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537804 357101781 /nfs/dbraw/zinc/10/17/81/357101781.db2.gz GNZNLPQFWRLKRJ-CMPLNLGQSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537805 357101532 /nfs/dbraw/zinc/10/15/32/357101532.db2.gz GNZNLPQFWRLKRJ-JQWIXIFHSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537806 357101354 /nfs/dbraw/zinc/10/13/54/357101354.db2.gz GNZNLPQFWRLKRJ-PWSUYJOCSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537807 357101149 /nfs/dbraw/zinc/10/11/49/357101149.db2.gz GNZNLPQFWRLKRJ-ZYHUDNBSSA-N 1 0 243.297 3.756 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000390539307 347384454 /nfs/dbraw/zinc/38/44/54/347384454.db2.gz KVSVGKHYFNBPOF-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000390539308 347384236 /nfs/dbraw/zinc/38/42/36/347384236.db2.gz KVSVGKHYFNBPOF-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]CC1(C(F)(F)F)CC1 ZINC000390539775 347384302 /nfs/dbraw/zinc/38/43/02/347384302.db2.gz KZZFBQUODBQIFS-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CCc1cccc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000390541020 357103243 /nfs/dbraw/zinc/10/32/43/357103243.db2.gz LKBFYPVHNQJOPX-UHFFFAOYSA-N 1 0 217.356 3.527 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000390541298 385376026 /nfs/dbraw/zinc/37/60/26/385376026.db2.gz HJLVHASFUFOCCM-FVCCEPFGSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000390541299 385376480 /nfs/dbraw/zinc/37/64/80/385376480.db2.gz HJLVHASFUFOCCM-MROQNXINSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000390541300 259393027 /nfs/dbraw/zinc/39/30/27/259393027.db2.gz HJLVHASFUFOCCM-NDBYEHHHSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000390541301 259393187 /nfs/dbraw/zinc/39/31/87/259393187.db2.gz HJLVHASFUFOCCM-VOAKCMCISA-N 1 0 243.341 3.590 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000390542042 711124194 /nfs/dbraw/zinc/12/41/94/711124194.db2.gz LRKJLRVFTNLCNZ-UHFFFAOYSA-N 1 0 240.778 3.569 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccs1 ZINC000390543518 259392954 /nfs/dbraw/zinc/39/29/54/259392954.db2.gz MCDBOPUQCOWDBS-GXTWGEPZSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccs1 ZINC000390543520 259393256 /nfs/dbraw/zinc/39/32/56/259393256.db2.gz MCDBOPUQCOWDBS-JSGCOSHPSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccs1 ZINC000390543522 259393295 /nfs/dbraw/zinc/39/32/95/259393295.db2.gz MCDBOPUQCOWDBS-OCCSQVGLSA-N 1 0 235.396 3.830 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccs1 ZINC000390543525 259393183 /nfs/dbraw/zinc/39/31/83/259393183.db2.gz MCDBOPUQCOWDBS-TZMCWYRMSA-N 1 0 235.396 3.830 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390544701 259393365 /nfs/dbraw/zinc/39/33/65/259393365.db2.gz IDWKQKYZJFKBAL-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390544703 259393095 /nfs/dbraw/zinc/39/30/95/259393095.db2.gz IDWKQKYZJFKBAL-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390544706 259393136 /nfs/dbraw/zinc/39/31/36/259393136.db2.gz IDWKQKYZJFKBAL-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390544709 259393378 /nfs/dbraw/zinc/39/33/78/259393378.db2.gz IDWKQKYZJFKBAL-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1ccc(SC)cc1 ZINC000390548795 259393080 /nfs/dbraw/zinc/39/30/80/259393080.db2.gz NUMXUBFBMAXDFO-GFCCVEGCSA-N 1 0 237.412 3.587 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1ccc(SC)cc1 ZINC000390548796 259393043 /nfs/dbraw/zinc/39/30/43/259393043.db2.gz NUMXUBFBMAXDFO-LBPRGKRZSA-N 1 0 237.412 3.587 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000390549740 259393109 /nfs/dbraw/zinc/39/31/09/259393109.db2.gz OGZCVBYATHGTBD-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000390549741 259393135 /nfs/dbraw/zinc/39/31/35/259393135.db2.gz OGZCVBYATHGTBD-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000390549742 259392955 /nfs/dbraw/zinc/39/29/55/259392955.db2.gz OGZCVBYATHGTBD-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000390549743 259393113 /nfs/dbraw/zinc/39/31/13/259393113.db2.gz OGZCVBYATHGTBD-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000390550232 259393152 /nfs/dbraw/zinc/39/31/52/259393152.db2.gz OKUMLPXFXHFVBK-SECBINFHSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]C2CC(C)(C)C2)s1 ZINC000390550238 259392971 /nfs/dbraw/zinc/39/29/71/259392971.db2.gz OKUMLPXFXHFVBK-VIFPVBQESA-N 1 0 238.400 3.599 20 0 BHADRO CCC1CC([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000390550576 259393086 /nfs/dbraw/zinc/39/30/86/259393086.db2.gz ONPPEJNRECRQSA-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1CC([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000390550588 259393312 /nfs/dbraw/zinc/39/33/12/259393312.db2.gz ONPPEJNRECRQSA-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCc2cccs2)C1 ZINC000390550709 259393229 /nfs/dbraw/zinc/39/32/29/259393229.db2.gz OQLJIPPIEHSOMT-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCc2cccs2)C1 ZINC000390550710 259393318 /nfs/dbraw/zinc/39/33/18/259393318.db2.gz OQLJIPPIEHSOMT-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000390551049 259393227 /nfs/dbraw/zinc/39/32/27/259393227.db2.gz ORSLBBXNHUIURJ-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000390551053 259393324 /nfs/dbraw/zinc/39/33/24/259393324.db2.gz ORSLBBXNHUIURJ-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000390551058 259393088 /nfs/dbraw/zinc/39/30/88/259393088.db2.gz ORSLBBXNHUIURJ-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000390551062 259393082 /nfs/dbraw/zinc/39/30/82/259393082.db2.gz ORSLBBXNHUIURJ-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000390552340 259393145 /nfs/dbraw/zinc/39/31/45/259393145.db2.gz PDHYJEHRBKEFBC-CLRIEMFWSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000390552343 259393091 /nfs/dbraw/zinc/39/30/91/259393091.db2.gz PDHYJEHRBKEFBC-HOAMVYINSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000390552347 259393301 /nfs/dbraw/zinc/39/33/01/259393301.db2.gz PDHYJEHRBKEFBC-NWINJMCUSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000390552350 259393034 /nfs/dbraw/zinc/39/30/34/259393034.db2.gz PDHYJEHRBKEFBC-PQAZSJQKSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1ccc2c(c1)CCC2 ZINC000390552401 711125721 /nfs/dbraw/zinc/12/57/21/711125721.db2.gz PEWLCGFDFBTEOS-AEBAWRHJSA-N 1 0 235.758 3.578 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1ccc2c(c1)CCC2 ZINC000390552402 711125749 /nfs/dbraw/zinc/12/57/49/711125749.db2.gz PEWLCGFDFBTEOS-DZHRUPLWSA-N 1 0 235.758 3.578 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc2c(c1)CCC2 ZINC000390552403 711124965 /nfs/dbraw/zinc/12/49/65/711124965.db2.gz PEWLCGFDFBTEOS-TXGYYHNKSA-N 1 0 235.758 3.578 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc2c(c1)CCC2 ZINC000390552404 711125609 /nfs/dbraw/zinc/12/56/09/711125609.db2.gz PEWLCGFDFBTEOS-UVYAAXSVSA-N 1 0 235.758 3.578 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccccc2Cl)CC1 ZINC000390553821 357104064 /nfs/dbraw/zinc/10/40/64/357104064.db2.gz PRMOYVJMKKKHPZ-CYBMUJFWSA-N 1 0 235.758 3.928 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccccc2Cl)CC1 ZINC000390553823 357103857 /nfs/dbraw/zinc/10/38/57/357103857.db2.gz PRMOYVJMKKKHPZ-ZDUSSCGKSA-N 1 0 235.758 3.928 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C[C@@H]1CCSC1 ZINC000390554858 539026152 /nfs/dbraw/zinc/02/61/52/539026152.db2.gz PZUVGUPBBRTOSZ-KBPBESRZSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CCSC1 ZINC000390554860 539026207 /nfs/dbraw/zinc/02/62/07/539026207.db2.gz PZUVGUPBBRTOSZ-KGLIPLIRSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C[C@H]1CCSC1 ZINC000390554866 539026056 /nfs/dbraw/zinc/02/60/56/539026056.db2.gz PZUVGUPBBRTOSZ-UONOGXRCSA-N 1 0 243.460 3.936 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C[C@H]1CCSC1 ZINC000390554868 539026021 /nfs/dbraw/zinc/02/60/21/539026021.db2.gz PZUVGUPBBRTOSZ-ZIAGYGMSSA-N 1 0 243.460 3.936 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000390556826 259393567 /nfs/dbraw/zinc/39/35/67/259393567.db2.gz QQRYKBYXFOFDEI-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000390556827 259393545 /nfs/dbraw/zinc/39/35/45/259393545.db2.gz QQRYKBYXFOFDEI-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000390556828 259393538 /nfs/dbraw/zinc/39/35/38/259393538.db2.gz QQRYKBYXFOFDEI-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000390556829 259393523 /nfs/dbraw/zinc/39/35/23/259393523.db2.gz QQRYKBYXFOFDEI-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]Cc1nccs1 ZINC000390556835 539026256 /nfs/dbraw/zinc/02/62/56/539026256.db2.gz QQXUMLYTOJBSIZ-GFCCVEGCSA-N 1 0 240.416 3.839 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]Cc1nccs1 ZINC000390556836 539026400 /nfs/dbraw/zinc/02/64/00/539026400.db2.gz QQXUMLYTOJBSIZ-LBPRGKRZSA-N 1 0 240.416 3.839 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000390560296 711125089 /nfs/dbraw/zinc/12/50/89/711125089.db2.gz RSIHMRFYQJHLEB-AVGNSLFASA-N 1 0 222.376 3.880 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000390560298 711125288 /nfs/dbraw/zinc/12/52/88/711125288.db2.gz RSIHMRFYQJHLEB-RWMBFGLXSA-N 1 0 222.376 3.880 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)c1ccc[nH]1 ZINC000390560300 711125615 /nfs/dbraw/zinc/12/56/15/711125615.db2.gz RSIHMRFYQJHLEB-XQQFMLRXSA-N 1 0 222.376 3.880 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)c1ccc[nH]1 ZINC000390560302 711125781 /nfs/dbraw/zinc/12/57/81/711125781.db2.gz RSIHMRFYQJHLEB-YNEHKIRRSA-N 1 0 222.376 3.880 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)CCC(C)C)OC ZINC000390560589 259393568 /nfs/dbraw/zinc/39/35/68/259393568.db2.gz JZXDONXZBBGHCO-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)CCC(C)C)OC ZINC000390560590 259393595 /nfs/dbraw/zinc/39/35/95/259393595.db2.gz JZXDONXZBBGHCO-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCCCC1)C(F)(F)F ZINC000390561394 259393540 /nfs/dbraw/zinc/39/35/40/259393540.db2.gz SBDMWMFRBGGGHU-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO C[C@H](C[NH2+]CCC1CCCCC1)C(F)(F)F ZINC000390561396 259393530 /nfs/dbraw/zinc/39/35/30/259393530.db2.gz SBDMWMFRBGGGHU-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000390562034 259393552 /nfs/dbraw/zinc/39/35/52/259393552.db2.gz SEXVNNBKJKURLP-CRWXNKLISA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000390562036 259393639 /nfs/dbraw/zinc/39/36/39/259393639.db2.gz SEXVNNBKJKURLP-DGAVXFQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000390562037 259393531 /nfs/dbraw/zinc/39/35/31/259393531.db2.gz SEXVNNBKJKURLP-REWJHTLYSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000390562038 259393566 /nfs/dbraw/zinc/39/35/66/259393566.db2.gz SEXVNNBKJKURLP-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000390562939 347393170 /nfs/dbraw/zinc/39/31/70/347393170.db2.gz SJXBFBZHNDTGGZ-FQKPHLNHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000390562953 347393029 /nfs/dbraw/zinc/39/30/29/347393029.db2.gz SJXBFBZHNDTGGZ-KHMAMNHCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000390562957 347393131 /nfs/dbraw/zinc/39/31/31/347393131.db2.gz SJXBFBZHNDTGGZ-QMIVOQANSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000390562958 347392965 /nfs/dbraw/zinc/39/29/65/347392965.db2.gz SJXBFBZHNDTGGZ-RYPNDVFKSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)C1CCC1 ZINC000390567258 323084734 /nfs/dbraw/zinc/08/47/34/323084734.db2.gz UEXMIJMGDBJCMM-LLVKDONJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)C1CCC1 ZINC000390567259 323084713 /nfs/dbraw/zinc/08/47/13/323084713.db2.gz UEXMIJMGDBJCMM-NSHDSACASA-N 1 0 237.774 3.661 20 0 BHADRO CCCc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000390567895 357520377 /nfs/dbraw/zinc/52/03/77/357520377.db2.gz UHUHTWNPZYOZFW-UHFFFAOYSA-N 1 0 219.372 3.775 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCC12CCC2 ZINC000390571255 711125101 /nfs/dbraw/zinc/12/51/01/711125101.db2.gz VBJCXXQXEYAYLO-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC12CCC2 ZINC000390571257 711125182 /nfs/dbraw/zinc/12/51/82/711125182.db2.gz VBJCXXQXEYAYLO-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000390572170 711126688 /nfs/dbraw/zinc/12/66/88/711126688.db2.gz VFOJJCFAJGKYDB-BXUZGUMPSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000390572177 711126997 /nfs/dbraw/zinc/12/69/97/711126997.db2.gz VFOJJCFAJGKYDB-FZMZJTMJSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000390572178 711126968 /nfs/dbraw/zinc/12/69/68/711126968.db2.gz VFOJJCFAJGKYDB-RISCZKNCSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000390572179 711126447 /nfs/dbraw/zinc/12/64/47/711126447.db2.gz VFOJJCFAJGKYDB-SMDDNHRTSA-N 1 0 237.774 3.661 20 0 BHADRO CCC1(C[NH2+]C[C@H]2CCSC2)CCCCC1 ZINC000390577593 259394021 /nfs/dbraw/zinc/39/40/21/259394021.db2.gz WHXDGNUHNOOPIO-CYBMUJFWSA-N 1 0 241.444 3.690 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2CCSC2)CCCCC1 ZINC000390577597 259394075 /nfs/dbraw/zinc/39/40/75/259394075.db2.gz WHXDGNUHNOOPIO-ZDUSSCGKSA-N 1 0 241.444 3.690 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000390578351 357101433 /nfs/dbraw/zinc/10/14/33/357101433.db2.gz OXHDJIVYHDPJTH-BXKDBHETSA-N 1 0 225.282 3.512 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000390578354 357101686 /nfs/dbraw/zinc/10/16/86/357101686.db2.gz OXHDJIVYHDPJTH-CABZTGNLSA-N 1 0 225.282 3.512 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000390578356 357101695 /nfs/dbraw/zinc/10/16/95/357101695.db2.gz OXHDJIVYHDPJTH-JOYOIKCWSA-N 1 0 225.282 3.512 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000390578358 357102239 /nfs/dbraw/zinc/10/22/39/357102239.db2.gz OXHDJIVYHDPJTH-SKDRFNHKSA-N 1 0 225.282 3.512 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000390579238 259394244 /nfs/dbraw/zinc/39/42/44/259394244.db2.gz WRSCTJJDRLOYHD-CYBMUJFWSA-N 1 0 217.356 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000390579242 259393935 /nfs/dbraw/zinc/39/39/35/259393935.db2.gz WRSCTJJDRLOYHD-ZDUSSCGKSA-N 1 0 217.356 3.663 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000390581484 488167911 /nfs/dbraw/zinc/16/79/11/488167911.db2.gz WZUHIJKPMZLNLY-NWANDNLSSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000390581544 357102720 /nfs/dbraw/zinc/10/27/20/357102720.db2.gz XARWAVJIVSPRGP-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000390581545 357102277 /nfs/dbraw/zinc/10/22/77/357102277.db2.gz XARWAVJIVSPRGP-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000390581547 357102717 /nfs/dbraw/zinc/10/27/17/357102717.db2.gz XARWAVJIVSPRGP-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000390581548 357102141 /nfs/dbraw/zinc/10/21/41/357102141.db2.gz XARWAVJIVSPRGP-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1(C)CC1 ZINC000390582724 259393796 /nfs/dbraw/zinc/39/37/96/259393796.db2.gz QOPCYTOPHQOXMK-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1(C)CC1 ZINC000390582728 259394207 /nfs/dbraw/zinc/39/42/07/259394207.db2.gz QOPCYTOPHQOXMK-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1(C)CC1 ZINC000390582731 259393928 /nfs/dbraw/zinc/39/39/28/259393928.db2.gz QOPCYTOPHQOXMK-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1(C)CC1 ZINC000390582734 259393951 /nfs/dbraw/zinc/39/39/51/259393951.db2.gz QOPCYTOPHQOXMK-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390587034 397896057 /nfs/dbraw/zinc/89/60/57/397896057.db2.gz FSMKZWUCFLRMJO-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390587035 398174683 /nfs/dbraw/zinc/17/46/83/398174683.db2.gz FSMKZWUCFLRMJO-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390587037 397896099 /nfs/dbraw/zinc/89/60/99/397896099.db2.gz FSMKZWUCFLRMJO-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390587038 397896155 /nfs/dbraw/zinc/89/61/55/397896155.db2.gz FSMKZWUCFLRMJO-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CCSCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000390590040 323187196 /nfs/dbraw/zinc/18/71/96/323187196.db2.gz ZAAWSWOBYRQHLE-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000390590043 259394472 /nfs/dbraw/zinc/39/44/72/259394472.db2.gz ZAAWSWOBYRQHLE-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCCOC(C)C ZINC000390590907 259394679 /nfs/dbraw/zinc/39/46/79/259394679.db2.gz ZIIKMRVVIKUMGJ-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCOC(C)C ZINC000390590909 259394374 /nfs/dbraw/zinc/39/43/74/259394374.db2.gz ZIIKMRVVIKUMGJ-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCOC(C)C ZINC000390590912 259394662 /nfs/dbraw/zinc/39/46/62/259394662.db2.gz ZIIKMRVVIKUMGJ-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCOC(C)C ZINC000390590913 259394452 /nfs/dbraw/zinc/39/44/52/259394452.db2.gz ZIIKMRVVIKUMGJ-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000390594810 539026269 /nfs/dbraw/zinc/02/62/69/539026269.db2.gz AFCGTMSWWSALPP-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000390594812 539026544 /nfs/dbraw/zinc/02/65/44/539026544.db2.gz AFCGTMSWWSALPP-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000390594814 539026513 /nfs/dbraw/zinc/02/65/13/539026513.db2.gz AFCGTMSWWSALPP-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000390594816 539026347 /nfs/dbraw/zinc/02/63/47/539026347.db2.gz AFCGTMSWWSALPP-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)C1CCCCCC1 ZINC000390601229 259394945 /nfs/dbraw/zinc/39/49/45/259394945.db2.gz BGRRUULMBMBQCT-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)C1CCCCCC1 ZINC000390601231 259395295 /nfs/dbraw/zinc/39/52/95/259395295.db2.gz BGRRUULMBMBQCT-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CCCCC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000390604563 259395001 /nfs/dbraw/zinc/39/50/01/259395001.db2.gz CDNCPQXUGQWBPE-CYBMUJFWSA-N 1 0 240.416 3.857 20 0 BHADRO CCCCC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000390604564 259395288 /nfs/dbraw/zinc/39/52/88/259395288.db2.gz CDNCPQXUGQWBPE-ZDUSSCGKSA-N 1 0 240.416 3.857 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000390605150 711127636 /nfs/dbraw/zinc/12/76/36/711127636.db2.gz CJNARUZOMNNPKM-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000390605151 711128267 /nfs/dbraw/zinc/12/82/67/711128267.db2.gz CJNARUZOMNNPKM-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000390612589 357107471 /nfs/dbraw/zinc/10/74/71/357107471.db2.gz FPXLAGSSECNVBJ-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000390612590 357107292 /nfs/dbraw/zinc/10/72/92/357107292.db2.gz FPXLAGSSECNVBJ-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000390613514 711128237 /nfs/dbraw/zinc/12/82/37/711128237.db2.gz FUJRQEGRCZBKQL-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000390613515 711127812 /nfs/dbraw/zinc/12/78/12/711127812.db2.gz FUJRQEGRCZBKQL-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000390613516 711128251 /nfs/dbraw/zinc/12/82/51/711128251.db2.gz FUJRQEGRCZBKQL-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000390613517 711128481 /nfs/dbraw/zinc/12/84/81/711128481.db2.gz FUJRQEGRCZBKQL-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000390613958 259395620 /nfs/dbraw/zinc/39/56/20/259395620.db2.gz GALJQARIUBUMAT-BFHYXJOUSA-N 1 0 239.428 3.749 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390613961 259395623 /nfs/dbraw/zinc/39/56/23/259395623.db2.gz GALJQARIUBUMAT-HZSPNIEDSA-N 1 0 239.428 3.749 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000390613964 259395731 /nfs/dbraw/zinc/39/57/31/259395731.db2.gz GALJQARIUBUMAT-MELADBBJSA-N 1 0 239.428 3.749 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390613966 259395934 /nfs/dbraw/zinc/39/59/34/259395934.db2.gz GALJQARIUBUMAT-MGPQQGTHSA-N 1 0 239.428 3.749 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)C1CCC(F)(F)CC1 ZINC000390614802 259395753 /nfs/dbraw/zinc/39/57/53/259395753.db2.gz GNUMGXPOZVFULL-SQLBVSGCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)C1CCC(F)(F)CC1 ZINC000390614804 259395603 /nfs/dbraw/zinc/39/56/03/259395603.db2.gz GNUMGXPOZVFULL-YZRBJQDESA-N 1 0 231.330 3.589 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCSC(C)C)c1 ZINC000390615030 259395646 /nfs/dbraw/zinc/39/56/46/259395646.db2.gz COZBQTDHEPGNJI-UHFFFAOYSA-N 1 0 237.412 3.535 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000390615235 259395647 /nfs/dbraw/zinc/39/56/47/259395647.db2.gz GPBCBUFKNVVRQY-CHWSQXEVSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000390615236 259395549 /nfs/dbraw/zinc/39/55/49/259395549.db2.gz GPBCBUFKNVVRQY-OLZOCXBDSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000390615237 259395590 /nfs/dbraw/zinc/39/55/90/259395590.db2.gz GPBCBUFKNVVRQY-QWHCGFSZSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000390615238 259395868 /nfs/dbraw/zinc/39/58/68/259395868.db2.gz GPBCBUFKNVVRQY-STQMWFEESA-N 1 0 221.388 3.878 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C1CC(F)(F)C1 ZINC000390616928 539026823 /nfs/dbraw/zinc/02/68/23/539026823.db2.gz HEOQQFHBXOJZQW-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C1CC(F)(F)C1 ZINC000390616931 539026614 /nfs/dbraw/zinc/02/66/14/539026614.db2.gz HEOQQFHBXOJZQW-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H](C)[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000390620002 259395834 /nfs/dbraw/zinc/39/58/34/259395834.db2.gz IFLHKYPRBZUZBQ-GWCFXTLKSA-N 1 0 243.753 3.986 20 0 BHADRO CC[C@H](C)[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000390620003 259395561 /nfs/dbraw/zinc/39/55/61/259395561.db2.gz IFLHKYPRBZUZBQ-GXFFZTMASA-N 1 0 243.753 3.986 20 0 BHADRO CC[C@@H](C)[C@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000390620004 259395616 /nfs/dbraw/zinc/39/56/16/259395616.db2.gz IFLHKYPRBZUZBQ-MFKMUULPSA-N 1 0 243.753 3.986 20 0 BHADRO CC[C@@H](C)[C@@H]([NH2+]CCF)c1ccc(Cl)cc1 ZINC000390620005 259395929 /nfs/dbraw/zinc/39/59/29/259395929.db2.gz IFLHKYPRBZUZBQ-ZWNOBZJWSA-N 1 0 243.753 3.986 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000390620743 711129522 /nfs/dbraw/zinc/12/95/22/711129522.db2.gz IJXKROCSVNTPKY-LLVKDONJSA-N 1 0 237.774 3.927 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000390620747 711129861 /nfs/dbraw/zinc/12/98/61/711129861.db2.gz IJXKROCSVNTPKY-NSHDSACASA-N 1 0 237.774 3.927 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCCF ZINC000390621441 259395865 /nfs/dbraw/zinc/39/58/65/259395865.db2.gz IPDCLGRTCREHII-CHWSQXEVSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCCF ZINC000390621442 259395687 /nfs/dbraw/zinc/39/56/87/259395687.db2.gz IPDCLGRTCREHII-OLZOCXBDSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCCF ZINC000390621443 259395595 /nfs/dbraw/zinc/39/55/95/259395595.db2.gz IPDCLGRTCREHII-QWHCGFSZSA-N 1 0 229.383 3.931 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCCF ZINC000390621444 259395733 /nfs/dbraw/zinc/39/57/33/259395733.db2.gz IPDCLGRTCREHII-STQMWFEESA-N 1 0 229.383 3.931 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000390623177 357108366 /nfs/dbraw/zinc/10/83/66/357108366.db2.gz HJLVHASFUFOCCM-UMSGYPCISA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000390625155 259395606 /nfs/dbraw/zinc/39/56/06/259395606.db2.gz JPJLXOFGAAXUGQ-KBPBESRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000390625162 259395736 /nfs/dbraw/zinc/39/57/36/259395736.db2.gz JPJLXOFGAAXUGQ-KGLIPLIRSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000390625170 259395596 /nfs/dbraw/zinc/39/55/96/259395596.db2.gz JPJLXOFGAAXUGQ-UONOGXRCSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000390625178 259395714 /nfs/dbraw/zinc/39/57/14/259395714.db2.gz JPJLXOFGAAXUGQ-ZIAGYGMSSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+]C2CCC3(CC3)CC2)CCCC1 ZINC000390629766 259395577 /nfs/dbraw/zinc/39/55/77/259395577.db2.gz KURFJSHTZQGFCP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000390631904 539026675 /nfs/dbraw/zinc/02/66/75/539026675.db2.gz LGOJNBAGFUTNDN-AGIUHOORSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000390631905 539026780 /nfs/dbraw/zinc/02/67/80/539026780.db2.gz LGOJNBAGFUTNDN-FRRDWIJNSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000390631906 539026607 /nfs/dbraw/zinc/02/66/07/539026607.db2.gz LGOJNBAGFUTNDN-JHJVBQTASA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000390631908 539026773 /nfs/dbraw/zinc/02/67/73/539026773.db2.gz LGOJNBAGFUTNDN-UPJWGTAASA-N 1 0 237.412 3.705 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000390632882 259396063 /nfs/dbraw/zinc/39/60/63/259396063.db2.gz LIWLFEBNDARCMA-AGIUHOORSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000390632884 259396484 /nfs/dbraw/zinc/39/64/84/259396484.db2.gz LIWLFEBNDARCMA-AVGNSLFASA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000390632890 259396409 /nfs/dbraw/zinc/39/64/09/259396409.db2.gz LIWLFEBNDARCMA-UPJWGTAASA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000390632892 259396375 /nfs/dbraw/zinc/39/63/75/259396375.db2.gz LIWLFEBNDARCMA-XQQFMLRXSA-N 1 0 227.367 3.683 20 0 BHADRO CCC1(C)CCC([NH2+]C(C)(C)C(F)F)CC1 ZINC000390632941 539026774 /nfs/dbraw/zinc/02/67/74/539026774.db2.gz LJSKGKFWXBGRCK-UHFFFAOYSA-N 1 0 233.346 3.979 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000390633245 259396354 /nfs/dbraw/zinc/39/63/54/259396354.db2.gz JBXIKVWBJSDNIV-IPYPFGDCSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000390633254 259396358 /nfs/dbraw/zinc/39/63/58/259396358.db2.gz JBXIKVWBJSDNIV-KCQAQPDRSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000390633256 259396065 /nfs/dbraw/zinc/39/60/65/259396065.db2.gz JBXIKVWBJSDNIV-VNHYZAJKSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000390633258 259396433 /nfs/dbraw/zinc/39/64/33/259396433.db2.gz JBXIKVWBJSDNIV-YDHLFZDLSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCCF)c1 ZINC000390638529 259396371 /nfs/dbraw/zinc/39/63/71/259396371.db2.gz KEFBPWOAQUZVPD-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCCCF)c1 ZINC000390638530 259396398 /nfs/dbraw/zinc/39/63/98/259396398.db2.gz KEFBPWOAQUZVPD-ZDUSSCGKSA-N 1 0 223.335 3.704 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000390641233 259396334 /nfs/dbraw/zinc/39/63/34/259396334.db2.gz MYPUVONEHJVLEF-AYRXBEOTSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000390641236 259396302 /nfs/dbraw/zinc/39/63/02/259396302.db2.gz MYPUVONEHJVLEF-DHMWGJHJSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000390641238 259396164 /nfs/dbraw/zinc/39/61/64/259396164.db2.gz MYPUVONEHJVLEF-OSRDXIQISA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000390641240 259396088 /nfs/dbraw/zinc/39/60/88/259396088.db2.gz MYPUVONEHJVLEF-PAPYEOQZSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1nccs1 ZINC000390641310 539026800 /nfs/dbraw/zinc/02/68/00/539026800.db2.gz NADUGTUZOBQKII-LLVKDONJSA-N 1 0 238.400 3.592 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1nccs1 ZINC000390641311 539026783 /nfs/dbraw/zinc/02/67/83/539026783.db2.gz NADUGTUZOBQKII-NSHDSACASA-N 1 0 238.400 3.592 20 0 BHADRO C[C@H](CF)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000390644981 259396214 /nfs/dbraw/zinc/39/62/14/259396214.db2.gz NSJNDFKMSRFSCZ-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@@H](CF)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000390644982 259396112 /nfs/dbraw/zinc/39/61/12/259396112.db2.gz NSJNDFKMSRFSCZ-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000390646871 711131181 /nfs/dbraw/zinc/13/11/81/711131181.db2.gz OFRUOOXRUHZIQI-BFHYXJOUSA-N 1 0 227.367 3.685 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000390646877 711131315 /nfs/dbraw/zinc/13/13/15/711131315.db2.gz OFRUOOXRUHZIQI-HZSPNIEDSA-N 1 0 227.367 3.685 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000390646884 711130364 /nfs/dbraw/zinc/13/03/64/711130364.db2.gz OFRUOOXRUHZIQI-MELADBBJSA-N 1 0 227.367 3.685 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000390646891 711130875 /nfs/dbraw/zinc/13/08/75/711130875.db2.gz OFRUOOXRUHZIQI-MGPQQGTHSA-N 1 0 227.367 3.685 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000390647193 259396844 /nfs/dbraw/zinc/39/68/44/259396844.db2.gz MKGBMWMVOBWKKT-CPCZMJQVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000390647194 259396809 /nfs/dbraw/zinc/39/68/09/259396809.db2.gz MKGBMWMVOBWKKT-OTTFEQOBSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC(CCC)[NH2+]C1(CC)CCOCC1 ZINC000390652704 259396940 /nfs/dbraw/zinc/39/69/40/259396940.db2.gz PQSWVFHOWYRFMA-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC2CC2)c(C)o1 ZINC000390655922 711131019 /nfs/dbraw/zinc/13/10/19/711131019.db2.gz QQNRJHIHNPXJQB-JTQLQIEISA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC2CC2)c(C)o1 ZINC000390655924 711130558 /nfs/dbraw/zinc/13/05/58/711130558.db2.gz QQNRJHIHNPXJQB-SNVBAGLBSA-N 1 0 221.344 3.565 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCF ZINC000390661785 259397213 /nfs/dbraw/zinc/39/72/13/259397213.db2.gz QKBQLRLGQBAIRM-LLVKDONJSA-N 1 0 243.753 3.610 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCF ZINC000390661786 259397319 /nfs/dbraw/zinc/39/73/19/259397319.db2.gz QKBQLRLGQBAIRM-NSHDSACASA-N 1 0 243.753 3.610 20 0 BHADRO Cc1ccccc1C[NH2+]C1[C@H](C)CC[C@H]1C ZINC000390663694 711130862 /nfs/dbraw/zinc/13/08/62/711130862.db2.gz SZHDMPIVYGFZJB-CHWSQXEVSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000390663695 711130312 /nfs/dbraw/zinc/13/03/12/711130312.db2.gz SZHDMPIVYGFZJB-NHAGDIPZSA-N 1 0 217.356 3.519 20 0 BHADRO Cc1ccccc1C[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000390663698 711131016 /nfs/dbraw/zinc/13/10/16/711131016.db2.gz SZHDMPIVYGFZJB-STQMWFEESA-N 1 0 217.356 3.519 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[C@@H](C)C1 ZINC000390666326 259397237 /nfs/dbraw/zinc/39/72/37/259397237.db2.gz UJGVLIRKBXHIDN-LWOQNUMLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[C@@H](C)C1 ZINC000390666330 259397667 /nfs/dbraw/zinc/39/76/67/259397667.db2.gz UJGVLIRKBXHIDN-RFBJSHEKSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[C@@H](C)C1 ZINC000390666332 259397705 /nfs/dbraw/zinc/39/77/05/259397705.db2.gz UJGVLIRKBXHIDN-WKZARQIDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[C@@H](C)C1 ZINC000390666334 259397505 /nfs/dbraw/zinc/39/75/05/259397505.db2.gz UJGVLIRKBXHIDN-ZVJHWVFESA-N 1 0 221.388 3.589 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)COC(C)C ZINC000390670639 259397692 /nfs/dbraw/zinc/39/76/92/259397692.db2.gz VHTYSGUMMZDJKE-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)COC(C)C ZINC000390670641 259397645 /nfs/dbraw/zinc/39/76/45/259397645.db2.gz VHTYSGUMMZDJKE-KGLIPLIRSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)COC(C)C ZINC000390670642 259397702 /nfs/dbraw/zinc/39/77/02/259397702.db2.gz VHTYSGUMMZDJKE-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)COC(C)C ZINC000390670644 259397265 /nfs/dbraw/zinc/39/72/65/259397265.db2.gz VHTYSGUMMZDJKE-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000390670750 259397599 /nfs/dbraw/zinc/39/75/99/259397599.db2.gz VJLBHPRRZIXTPI-HZSPNIEDSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000390670755 259397571 /nfs/dbraw/zinc/39/75/71/259397571.db2.gz VJLBHPRRZIXTPI-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000390670763 259397585 /nfs/dbraw/zinc/39/75/85/259397585.db2.gz VJLBHPRRZIXTPI-MGPQQGTHSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000390670772 259397354 /nfs/dbraw/zinc/39/73/54/259397354.db2.gz VJLBHPRRZIXTPI-RDBSUJKOSA-N 1 0 241.444 3.546 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000390673411 259397544 /nfs/dbraw/zinc/39/75/44/259397544.db2.gz WFIQYXFDXVPXEH-LPWJVIDDSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000390673412 259397493 /nfs/dbraw/zinc/39/74/93/259397493.db2.gz WFIQYXFDXVPXEH-NDBYEHHHSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000390673413 259397341 /nfs/dbraw/zinc/39/73/41/259397341.db2.gz WFIQYXFDXVPXEH-VOAKCMCISA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000390673414 259397405 /nfs/dbraw/zinc/39/74/05/259397405.db2.gz WFIQYXFDXVPXEH-XQHKEYJVSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000390685613 259398093 /nfs/dbraw/zinc/39/80/93/259398093.db2.gz ZXDGXXBJAVSZOG-MWODSPESSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000390685615 259398074 /nfs/dbraw/zinc/39/80/74/259398074.db2.gz ZXDGXXBJAVSZOG-RVBZMBCESA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000390685616 259397832 /nfs/dbraw/zinc/39/78/32/259397832.db2.gz ZXDGXXBJAVSZOG-VYUIOLGVSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000390685618 259398032 /nfs/dbraw/zinc/39/80/32/259398032.db2.gz ZXDGXXBJAVSZOG-ZDMBXUJBSA-N 1 0 241.737 3.928 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000390747345 259399684 /nfs/dbraw/zinc/39/96/84/259399684.db2.gz ALIOZYDQXHRBES-MRVPVSSYSA-N 1 0 247.716 3.754 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000390747347 259399318 /nfs/dbraw/zinc/39/93/18/259399318.db2.gz ALIOZYDQXHRBES-QMMMGPOBSA-N 1 0 247.716 3.754 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)c1ccon1 ZINC000390752514 259399982 /nfs/dbraw/zinc/39/99/82/259399982.db2.gz DSIYVSDHLLXKJA-QJPTWQEYSA-N 1 0 224.348 3.540 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1ccon1 ZINC000390752515 385470224 /nfs/dbraw/zinc/47/02/24/385470224.db2.gz DSIYVSDHLLXKJA-SDDRHHMPSA-N 1 0 224.348 3.540 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccon1 ZINC000390752516 385469051 /nfs/dbraw/zinc/46/90/51/385469051.db2.gz DSIYVSDHLLXKJA-SRVKXCTJSA-N 1 0 224.348 3.540 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)c1ccon1 ZINC000390752517 385470237 /nfs/dbraw/zinc/47/02/37/385470237.db2.gz DSIYVSDHLLXKJA-TUAOUCFPSA-N 1 0 224.348 3.540 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC23CCCC3)CCC1 ZINC000390752604 385470952 /nfs/dbraw/zinc/47/09/52/385470952.db2.gz DQNFGPITQIBWGL-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC23CCCC3)CCC1 ZINC000390752605 385471941 /nfs/dbraw/zinc/47/19/41/385471941.db2.gz DQNFGPITQIBWGL-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000390753088 539027391 /nfs/dbraw/zinc/02/73/91/539027391.db2.gz FDLPXXFJOATAOT-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000390753089 539027355 /nfs/dbraw/zinc/02/73/55/539027355.db2.gz FDLPXXFJOATAOT-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO FC(F)C1CCC([NH2+]CCCC2CC2)CC1 ZINC000390754018 357114984 /nfs/dbraw/zinc/11/49/84/357114984.db2.gz FUJAMTVPJVISEJ-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(CC)CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000390754093 385471789 /nfs/dbraw/zinc/47/17/89/385471789.db2.gz FYALNAQUAOXXFB-CYBMUJFWSA-N 1 0 241.444 3.831 20 0 BHADRO CCC1(CC)CCC([NH2+][C@H]2CCSC2)CC1 ZINC000390754094 385471748 /nfs/dbraw/zinc/47/17/48/385471748.db2.gz FYALNAQUAOXXFB-ZDUSSCGKSA-N 1 0 241.444 3.831 20 0 BHADRO FCC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000390754423 539027302 /nfs/dbraw/zinc/02/73/02/539027302.db2.gz GDQLLHCJDFAGSX-UHFFFAOYSA-N 1 0 227.367 3.685 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000390755991 386963066 /nfs/dbraw/zinc/96/30/66/386963066.db2.gz HMXPLBVJLIBSIY-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000390755992 385471335 /nfs/dbraw/zinc/47/13/35/385471335.db2.gz HMXPLBVJLIBSIY-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000390755993 385471437 /nfs/dbraw/zinc/47/14/37/385471437.db2.gz HMXPLBVJLIBSIY-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000390755994 385471822 /nfs/dbraw/zinc/47/18/22/385471822.db2.gz HMXPLBVJLIBSIY-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000390756066 357115177 /nfs/dbraw/zinc/11/51/77/357115177.db2.gz HRDYMJRJSGMSRQ-CMPLNLGQSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000390756067 357114896 /nfs/dbraw/zinc/11/48/96/357114896.db2.gz HRDYMJRJSGMSRQ-JQWIXIFHSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000390756068 357115052 /nfs/dbraw/zinc/11/50/52/357115052.db2.gz HRDYMJRJSGMSRQ-PWSUYJOCSA-N 1 0 240.416 3.756 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000390756069 357114959 /nfs/dbraw/zinc/11/49/59/357114959.db2.gz HRDYMJRJSGMSRQ-ZYHUDNBSSA-N 1 0 240.416 3.756 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CCCCC1 ZINC000390756276 385475332 /nfs/dbraw/zinc/47/53/32/385475332.db2.gz HSNLJVHGNRXAAE-IHRRRGAJSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CCCCC1 ZINC000390756277 385474441 /nfs/dbraw/zinc/47/44/41/385474441.db2.gz HSNLJVHGNRXAAE-MCIONIFRSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CCCCC1 ZINC000390756278 385474903 /nfs/dbraw/zinc/47/49/03/385474903.db2.gz HSNLJVHGNRXAAE-MJBXVCDLSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CCCCC1 ZINC000390756279 385474899 /nfs/dbraw/zinc/47/48/99/385474899.db2.gz HSNLJVHGNRXAAE-RDBSUJKOSA-N 1 0 227.367 3.826 20 0 BHADRO FC(F)C1(C[NH2+]CC2CCCCCC2)CC1 ZINC000390756571 385473799 /nfs/dbraw/zinc/47/37/99/385473799.db2.gz IBNGAZOZYHZNOZ-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1ccco1 ZINC000390758759 385476837 /nfs/dbraw/zinc/47/68/37/385476837.db2.gz KKPYXCKIULOJRN-UHFFFAOYSA-N 1 0 223.360 3.628 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000390759044 385476424 /nfs/dbraw/zinc/47/64/24/385476424.db2.gz KTQNNNFYBXTVKU-GXTWGEPZSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000390759045 385476446 /nfs/dbraw/zinc/47/64/46/385476446.db2.gz KTQNNNFYBXTVKU-JSGCOSHPSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000390759046 385476578 /nfs/dbraw/zinc/47/65/78/385476578.db2.gz KTQNNNFYBXTVKU-OCCSQVGLSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000390759047 385477252 /nfs/dbraw/zinc/47/72/52/385477252.db2.gz KTQNNNFYBXTVKU-TZMCWYRMSA-N 1 0 237.774 3.661 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2nc(C)cs2)CC1 ZINC000390762693 385555070 /nfs/dbraw/zinc/55/50/70/385555070.db2.gz NULNYYWQKASZOV-HAQNSBGRSA-N 1 0 238.400 3.510 20 0 BHADRO CCC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC000390765942 539027195 /nfs/dbraw/zinc/02/71/95/539027195.db2.gz QPHLUMUELTZSNW-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000390766700 385723890 /nfs/dbraw/zinc/72/38/90/385723890.db2.gz RIJUEEABQROGAU-CYDGBPFRSA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000390766701 385724303 /nfs/dbraw/zinc/72/43/03/385724303.db2.gz RIJUEEABQROGAU-RVMXOQNASA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000390766702 385724056 /nfs/dbraw/zinc/72/40/56/385724056.db2.gz RIJUEEABQROGAU-WUHRBBMRSA-N 1 0 243.460 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000390766703 385724537 /nfs/dbraw/zinc/72/45/37/385724537.db2.gz RIJUEEABQROGAU-ZDEQEGDKSA-N 1 0 243.460 3.931 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000390767436 357115924 /nfs/dbraw/zinc/11/59/24/357115924.db2.gz SCDOCXISKSBDJO-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000390767437 357115769 /nfs/dbraw/zinc/11/57/69/357115769.db2.gz SCDOCXISKSBDJO-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000390767438 357115729 /nfs/dbraw/zinc/11/57/29/357115729.db2.gz SCDOCXISKSBDJO-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000390767439 357115990 /nfs/dbraw/zinc/11/59/90/357115990.db2.gz SCDOCXISKSBDJO-MJBXVCDLSA-N 1 0 241.444 3.688 20 0 BHADRO C(CC1CCCC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000390768795 711133125 /nfs/dbraw/zinc/13/31/25/711133125.db2.gz UCHYYQOSBGETKM-NRXISQOPSA-N 1 0 221.388 3.735 20 0 BHADRO C(CC1CCCC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000390768797 711133775 /nfs/dbraw/zinc/13/37/75/711133775.db2.gz UCHYYQOSBGETKM-YMAMQOFZSA-N 1 0 221.388 3.735 20 0 BHADRO CCC(CC)[NH2+]CCc1ccc(SC)cc1 ZINC000390771416 386970845 /nfs/dbraw/zinc/97/08/45/386970845.db2.gz WIKMXXSUVUHRMK-UHFFFAOYSA-N 1 0 237.412 3.729 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000390771883 357116100 /nfs/dbraw/zinc/11/61/00/357116100.db2.gz WSUYTCLGAQWAPA-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000390771884 357116057 /nfs/dbraw/zinc/11/60/57/357116057.db2.gz WSUYTCLGAQWAPA-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000390771885 357116121 /nfs/dbraw/zinc/11/61/21/357116121.db2.gz WSUYTCLGAQWAPA-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000390771886 357115860 /nfs/dbraw/zinc/11/58/60/357115860.db2.gz WSUYTCLGAQWAPA-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000390773089 398096998 /nfs/dbraw/zinc/09/69/98/398096998.db2.gz XVLQPEVODMLXQD-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000390773090 259415107 /nfs/dbraw/zinc/41/51/07/259415107.db2.gz XVLQPEVODMLXQD-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000390773091 398097099 /nfs/dbraw/zinc/09/70/99/398097099.db2.gz XVLQPEVODMLXQD-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000390773092 398097387 /nfs/dbraw/zinc/09/73/87/398097387.db2.gz XVLQPEVODMLXQD-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](COC)CC(C)C ZINC000390775914 711133030 /nfs/dbraw/zinc/13/30/30/711133030.db2.gz FOOCWBCPNQASIQ-KBPBESRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000390775917 711133643 /nfs/dbraw/zinc/13/36/43/711133643.db2.gz FOOCWBCPNQASIQ-UONOGXRCSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000390776098 711133711 /nfs/dbraw/zinc/13/37/11/711133711.db2.gz FOOCWBCPNQASIQ-ZIAGYGMSSA-N 1 0 229.408 3.606 20 0 BHADRO Fc1cccc(Cl)c1CCC[NH2+]C1CCC1 ZINC000390777881 398100033 /nfs/dbraw/zinc/10/00/33/398100033.db2.gz HAGYMIYJEOHDBA-UHFFFAOYSA-N 1 0 241.737 3.554 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000390778744 711133823 /nfs/dbraw/zinc/13/38/23/711133823.db2.gz HNRVXFDSBLWWHO-BCSJQMDCSA-N 1 0 235.758 3.665 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H]1C1CC1)SC ZINC000390779181 711133061 /nfs/dbraw/zinc/13/30/61/711133061.db2.gz HWZCESOQARGHNB-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@@H]1C1CC1)SC ZINC000390779182 711133712 /nfs/dbraw/zinc/13/37/12/711133712.db2.gz HWZCESOQARGHNB-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@H]1C1CC1)SC ZINC000390779183 711133533 /nfs/dbraw/zinc/13/35/33/711133533.db2.gz HWZCESOQARGHNB-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@H]1C1CC1)SC ZINC000390779184 711133553 /nfs/dbraw/zinc/13/35/53/711133553.db2.gz HWZCESOQARGHNB-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000390779213 385895070 /nfs/dbraw/zinc/89/50/70/385895070.db2.gz HZUJVJFQLJVXEA-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000390779214 259415180 /nfs/dbraw/zinc/41/51/80/259415180.db2.gz HZUJVJFQLJVXEA-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000390780281 259415306 /nfs/dbraw/zinc/41/53/06/259415306.db2.gz JBZJXZPQDFMQKN-KBPBESRZSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000390780283 385897829 /nfs/dbraw/zinc/89/78/29/385897829.db2.gz JBZJXZPQDFMQKN-KGLIPLIRSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000390780285 259415266 /nfs/dbraw/zinc/41/52/66/259415266.db2.gz JBZJXZPQDFMQKN-UONOGXRCSA-N 1 0 235.758 3.618 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000390780286 385896841 /nfs/dbraw/zinc/89/68/41/385896841.db2.gz JBZJXZPQDFMQKN-ZIAGYGMSSA-N 1 0 235.758 3.618 20 0 BHADRO CCCC[C@H]([NH2+]C1CCSCC1)C1CCC1 ZINC000390784403 385899091 /nfs/dbraw/zinc/89/90/91/385899091.db2.gz MXTITNSEZQKHCY-AWEZNQCLSA-N 1 0 241.444 3.831 20 0 BHADRO CCCC[C@@H]([NH2+]C1CCSCC1)C1CCC1 ZINC000390784404 385899676 /nfs/dbraw/zinc/89/96/76/385899676.db2.gz MXTITNSEZQKHCY-CQSZACIVSA-N 1 0 241.444 3.831 20 0 BHADRO FC1(F)CCC([NH2+]CC2CCCCC2)CC1 ZINC000390785339 386975067 /nfs/dbraw/zinc/97/50/67/386975067.db2.gz OKBCCGYFEKGEBN-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000390788892 357116365 /nfs/dbraw/zinc/11/63/65/357116365.db2.gz AQMIYPJICMVWGI-UHFFFAOYSA-N 1 0 239.721 3.511 20 0 BHADRO CCC1CC([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000390791359 385903031 /nfs/dbraw/zinc/90/30/31/385903031.db2.gz CFGPKPRXKUJJAZ-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCC(CC)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000390798287 539027493 /nfs/dbraw/zinc/02/74/93/539027493.db2.gz VDTHYHVNKRCUOF-GFCCVEGCSA-N 1 0 239.746 3.552 20 0 BHADRO CCC(CC)[NH2+][C@H]1COc2c1cccc2Cl ZINC000390798288 539027430 /nfs/dbraw/zinc/02/74/30/539027430.db2.gz VDTHYHVNKRCUOF-LBPRGKRZSA-N 1 0 239.746 3.552 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000390799154 490222108 /nfs/dbraw/zinc/22/21/08/490222108.db2.gz WENHLBPUCNKYID-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000390799155 490222052 /nfs/dbraw/zinc/22/20/52/490222052.db2.gz WENHLBPUCNKYID-OUCADQQQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000390799156 259415682 /nfs/dbraw/zinc/41/56/82/259415682.db2.gz WENHLBPUCNKYID-SCRDCRAPSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000390799157 490222025 /nfs/dbraw/zinc/22/20/25/490222025.db2.gz WENHLBPUCNKYID-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000390799854 539027512 /nfs/dbraw/zinc/02/75/12/539027512.db2.gz XDNWGIFPGICRJE-CHWSQXEVSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000390799855 539027523 /nfs/dbraw/zinc/02/75/23/539027523.db2.gz XDNWGIFPGICRJE-OLZOCXBDSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000390799856 539027631 /nfs/dbraw/zinc/02/76/31/539027631.db2.gz XDNWGIFPGICRJE-QWHCGFSZSA-N 1 0 221.344 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000390799857 635260581 /nfs/dbraw/zinc/26/05/81/635260581.db2.gz XDNWGIFPGICRJE-STQMWFEESA-N 1 0 221.344 3.502 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000390799863 635261654 /nfs/dbraw/zinc/26/16/54/635261654.db2.gz XEAYGRFVVHMSOZ-CHWSQXEVSA-N 1 0 220.360 3.619 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000390799864 635261549 /nfs/dbraw/zinc/26/15/49/635261549.db2.gz XEAYGRFVVHMSOZ-OLZOCXBDSA-N 1 0 220.360 3.619 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000390799865 539027573 /nfs/dbraw/zinc/02/75/73/539027573.db2.gz XEAYGRFVVHMSOZ-QWHCGFSZSA-N 1 0 220.360 3.619 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000390799866 539027655 /nfs/dbraw/zinc/02/76/55/539027655.db2.gz XEAYGRFVVHMSOZ-STQMWFEESA-N 1 0 220.360 3.619 20 0 BHADRO CCCCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000390799915 398101460 /nfs/dbraw/zinc/10/14/60/398101460.db2.gz XIPPPFNAHBBQNB-UHFFFAOYSA-N 1 0 240.416 3.720 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CC)c1ccccn1 ZINC000390800347 398101362 /nfs/dbraw/zinc/10/13/62/398101362.db2.gz XVPPQLSEECVPKA-CHWSQXEVSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CC)c1ccccn1 ZINC000390800348 398101927 /nfs/dbraw/zinc/10/19/27/398101927.db2.gz XVPPQLSEECVPKA-OLZOCXBDSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CC)c1ccccn1 ZINC000390800349 398101379 /nfs/dbraw/zinc/10/13/79/398101379.db2.gz XVPPQLSEECVPKA-QWHCGFSZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CC)c1ccccn1 ZINC000390800350 259415506 /nfs/dbraw/zinc/41/55/06/259415506.db2.gz XVPPQLSEECVPKA-STQMWFEESA-N 1 0 220.360 3.559 20 0 BHADRO CCC1(C[NH2+]C2CC(C(F)F)C2)CCCC1 ZINC000390813925 711134416 /nfs/dbraw/zinc/13/44/16/711134416.db2.gz FKMUVXBOKCJEPD-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+]C2CC(C(F)F)C2)CCC1 ZINC000390815045 538060041 /nfs/dbraw/zinc/06/00/41/538060041.db2.gz IMRWDFXHKZXLJB-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CC([NH2+]CCCC2CCCCC2)C1 ZINC000390815536 259415800 /nfs/dbraw/zinc/41/58/00/259415800.db2.gz JOBJUZLIXCVIFX-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000390815572 259415651 /nfs/dbraw/zinc/41/56/51/259415651.db2.gz JQWLUTHFCMFVIQ-GXTWGEPZSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000390815573 259415677 /nfs/dbraw/zinc/41/56/77/259415677.db2.gz JQWLUTHFCMFVIQ-JSGCOSHPSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000390815574 385922510 /nfs/dbraw/zinc/92/25/10/385922510.db2.gz JQWLUTHFCMFVIQ-OCCSQVGLSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000390815575 259415794 /nfs/dbraw/zinc/41/57/94/259415794.db2.gz JQWLUTHFCMFVIQ-TZMCWYRMSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000390816632 488180999 /nfs/dbraw/zinc/18/09/99/488180999.db2.gz MGBFMZJNKRNNBV-NWANDNLSSA-N 1 0 217.356 3.568 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](F)CC)cc1 ZINC000390816859 385921471 /nfs/dbraw/zinc/92/14/71/385921471.db2.gz MWHBWZVOOUVRKD-BXUZGUMPSA-N 1 0 223.335 3.648 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](F)CC)cc1 ZINC000390816860 385922913 /nfs/dbraw/zinc/92/29/13/385922913.db2.gz MWHBWZVOOUVRKD-RISCZKNCSA-N 1 0 223.335 3.648 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000390817499 385922788 /nfs/dbraw/zinc/92/27/88/385922788.db2.gz OMDORQXEBYFGHW-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000390817500 385923008 /nfs/dbraw/zinc/92/30/08/385923008.db2.gz OMDORQXEBYFGHW-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000390817501 385922028 /nfs/dbraw/zinc/92/20/28/385922028.db2.gz OMDORQXEBYFGHW-TUAOUCFPSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000390817502 385920885 /nfs/dbraw/zinc/92/08/85/385920885.db2.gz OMDORQXEBYFGHW-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000390817734 385926014 /nfs/dbraw/zinc/92/60/14/385926014.db2.gz PAAJNULRNDXOSI-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000390817735 385925591 /nfs/dbraw/zinc/92/55/91/385925591.db2.gz PAAJNULRNDXOSI-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO FC(F)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000390819605 711136536 /nfs/dbraw/zinc/13/65/36/711136536.db2.gz UILNDVVBEIONCE-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000390820144 385928177 /nfs/dbraw/zinc/92/81/77/385928177.db2.gz VRDNLHQLINNYKD-KBPBESRZSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000390820145 385928744 /nfs/dbraw/zinc/92/87/44/385928744.db2.gz VRDNLHQLINNYKD-KGLIPLIRSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000390820146 385928086 /nfs/dbraw/zinc/92/80/86/385928086.db2.gz VRDNLHQLINNYKD-UONOGXRCSA-N 1 0 227.367 3.827 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000390820147 385928814 /nfs/dbraw/zinc/92/88/14/385928814.db2.gz VRDNLHQLINNYKD-ZIAGYGMSSA-N 1 0 227.367 3.827 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000390821008 385928187 /nfs/dbraw/zinc/92/81/87/385928187.db2.gz XOKQRURNQNHMJT-HSBZDZAISA-N 1 0 217.356 3.834 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC000390821009 259416217 /nfs/dbraw/zinc/41/62/17/259416217.db2.gz XOKQRURNQNHMJT-IYXRBSQSSA-N 1 0 217.356 3.834 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CCC1(C)CC1 ZINC000390821805 539027477 /nfs/dbraw/zinc/02/74/77/539027477.db2.gz ZPFVHQGXEBVPFW-GFCCVEGCSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CCC1(C)CC1 ZINC000390821806 539027578 /nfs/dbraw/zinc/02/75/78/539027578.db2.gz ZPFVHQGXEBVPFW-LBPRGKRZSA-N 1 0 237.412 3.849 20 0 BHADRO Cc1cc[nH+]c(NC[C@H]2CCCCC2(F)F)c1 ZINC000390847896 385961134 /nfs/dbraw/zinc/96/11/34/385961134.db2.gz HWLVSCQBCMYFSW-LLVKDONJSA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H]2CCCCC2(F)F)c1 ZINC000390847900 385961252 /nfs/dbraw/zinc/96/12/52/385961252.db2.gz HWLVSCQBCMYFSW-NSHDSACASA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cccc(NC[C@H]2CCCCC2(F)F)[nH+]1 ZINC000390847983 385959412 /nfs/dbraw/zinc/95/94/12/385959412.db2.gz HXWVZWNBEGVMRA-LLVKDONJSA-N 1 0 240.297 3.627 20 0 BHADRO Cc1cccc(NC[C@@H]2CCCCC2(F)F)[nH+]1 ZINC000390847985 259416262 /nfs/dbraw/zinc/41/62/62/259416262.db2.gz HXWVZWNBEGVMRA-NSHDSACASA-N 1 0 240.297 3.627 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390857625 323096252 /nfs/dbraw/zinc/09/62/52/323096252.db2.gz KESPGJHHBKCAIV-NEPJUHHUSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCC1(F)F ZINC000390857627 323096189 /nfs/dbraw/zinc/09/61/89/323096189.db2.gz KESPGJHHBKCAIV-NWDGAFQWSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390857629 323096273 /nfs/dbraw/zinc/09/62/73/323096273.db2.gz KESPGJHHBKCAIV-RYUDHWBXSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCC1(F)F ZINC000390857630 323096266 /nfs/dbraw/zinc/09/62/66/323096266.db2.gz KESPGJHHBKCAIV-VXGBXAGGSA-N 1 0 233.346 3.694 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000390862928 323096361 /nfs/dbraw/zinc/09/63/61/323096361.db2.gz LYIWUWAGJVXNAQ-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390862929 323096321 /nfs/dbraw/zinc/09/63/21/323096321.db2.gz LYIWUWAGJVXNAQ-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390862930 323096408 /nfs/dbraw/zinc/09/64/08/323096408.db2.gz LYIWUWAGJVXNAQ-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000390862932 323096299 /nfs/dbraw/zinc/09/62/99/323096299.db2.gz LYIWUWAGJVXNAQ-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCCC1(F)F ZINC000390886571 386020574 /nfs/dbraw/zinc/02/05/74/386020574.db2.gz XDWFYBMZNLWABH-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390886572 386020813 /nfs/dbraw/zinc/02/08/13/386020813.db2.gz XDWFYBMZNLWABH-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO Cc1sccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000390890921 386033467 /nfs/dbraw/zinc/03/34/67/386033467.db2.gz ZLUYBDPGPZROGT-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1sccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390890929 386034086 /nfs/dbraw/zinc/03/40/86/386034086.db2.gz ZLUYBDPGPZROGT-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000390896756 398258404 /nfs/dbraw/zinc/25/84/04/398258404.db2.gz DPLMDIZIZIPQCV-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390896762 398258263 /nfs/dbraw/zinc/25/82/63/398258263.db2.gz DPLMDIZIZIPQCV-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390896764 398258419 /nfs/dbraw/zinc/25/84/19/398258419.db2.gz DPLMDIZIZIPQCV-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000390896766 398258206 /nfs/dbraw/zinc/25/82/06/398258206.db2.gz DPLMDIZIZIPQCV-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cccc(O)c1 ZINC000391126140 539027455 /nfs/dbraw/zinc/02/74/55/539027455.db2.gz DKNHHDZZTVPXHR-UHFFFAOYSA-N 1 0 235.371 3.698 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000391129506 350463276 /nfs/dbraw/zinc/46/32/76/350463276.db2.gz FSAYALCLNOVQRV-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000391129511 350463576 /nfs/dbraw/zinc/46/35/76/350463576.db2.gz FSAYALCLNOVQRV-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccnc(C)c1 ZINC000391129513 350463760 /nfs/dbraw/zinc/46/37/60/350463760.db2.gz FSAYALCLNOVQRV-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000391129515 350463820 /nfs/dbraw/zinc/46/38/20/350463820.db2.gz FSAYALCLNOVQRV-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cs1 ZINC000391133703 386442884 /nfs/dbraw/zinc/44/28/84/386442884.db2.gz DSNCVXCJGPGYND-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccnc(C)c2)cs1 ZINC000391133705 386445011 /nfs/dbraw/zinc/44/50/11/386445011.db2.gz DSNCVXCJGPGYND-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000391136413 711137063 /nfs/dbraw/zinc/13/70/63/711137063.db2.gz ITSOJCXBEGNQAG-CYBMUJFWSA-N 1 0 234.387 3.839 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000391136416 711136874 /nfs/dbraw/zinc/13/68/74/711136874.db2.gz ITSOJCXBEGNQAG-ZDUSSCGKSA-N 1 0 234.387 3.839 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC(C)(C)C)ccn1 ZINC000391149416 386447012 /nfs/dbraw/zinc/44/70/12/386447012.db2.gz NGASFCBCAKIRIB-GFCCVEGCSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC(C)(C)C)ccn1 ZINC000391149417 386446561 /nfs/dbraw/zinc/44/65/61/386446561.db2.gz NGASFCBCAKIRIB-LBPRGKRZSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccsc1 ZINC000391153792 386464281 /nfs/dbraw/zinc/46/42/81/386464281.db2.gz PYKRIPMSSPFBHT-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccsc1 ZINC000391153794 386463999 /nfs/dbraw/zinc/46/39/99/386463999.db2.gz PYKRIPMSSPFBHT-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000391156751 386458603 /nfs/dbraw/zinc/45/86/03/386458603.db2.gz RMXYPBNNSVZGOE-CHWSQXEVSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000391156752 386457846 /nfs/dbraw/zinc/45/78/46/386457846.db2.gz RMXYPBNNSVZGOE-OLZOCXBDSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000391156753 386457942 /nfs/dbraw/zinc/45/79/42/386457942.db2.gz RMXYPBNNSVZGOE-QWHCGFSZSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000391156754 386457399 /nfs/dbraw/zinc/45/73/99/386457399.db2.gz RMXYPBNNSVZGOE-STQMWFEESA-N 1 0 249.402 3.551 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)c2)cc1 ZINC000391157271 386458281 /nfs/dbraw/zinc/45/82/81/386458281.db2.gz ACOGFNNWXSTAAU-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cc1 ZINC000391157286 259420261 /nfs/dbraw/zinc/42/02/61/259420261.db2.gz ACOGFNNWXSTAAU-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CCCC3)ccn1 ZINC000391163723 259420235 /nfs/dbraw/zinc/42/02/35/259420235.db2.gz OCZUBCDXHHIKQH-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CCCC3)ccn1 ZINC000391163724 259420244 /nfs/dbraw/zinc/42/02/44/259420244.db2.gz OCZUBCDXHHIKQH-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1scnc1C ZINC000391165745 323099487 /nfs/dbraw/zinc/09/94/87/323099487.db2.gz VKDXMPXQZDSXAR-GFCCVEGCSA-N 1 0 240.416 3.552 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1scnc1C ZINC000391165747 323099403 /nfs/dbraw/zinc/09/94/03/323099403.db2.gz VKDXMPXQZDSXAR-LBPRGKRZSA-N 1 0 240.416 3.552 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccc(O)cc1 ZINC000391166373 539027488 /nfs/dbraw/zinc/02/74/88/539027488.db2.gz PDOFCPYUVIDBTJ-UHFFFAOYSA-N 1 0 235.371 3.698 20 0 BHADRO CCCC(CCC)[NH2+]CCc1scnc1C ZINC000391170946 386468627 /nfs/dbraw/zinc/46/86/27/386468627.db2.gz XBCYNRJVTSBYLZ-UHFFFAOYSA-N 1 0 240.416 3.552 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCCC2)ccn1 ZINC000391174522 711137202 /nfs/dbraw/zinc/13/72/02/711137202.db2.gz HNKRRYWWEXJLNP-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CC[C@H]([NH2+]CC(CC)(CC)CC)[C@H]1CCOC1 ZINC000391176714 357125110 /nfs/dbraw/zinc/12/51/10/357125110.db2.gz KBJSNQQYXLFMAS-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC(CC)(CC)CC)[C@@H]1CCOC1 ZINC000391176716 357125146 /nfs/dbraw/zinc/12/51/46/357125146.db2.gz KBJSNQQYXLFMAS-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)CC)[C@H]1CCOC1 ZINC000391176718 357125403 /nfs/dbraw/zinc/12/54/03/357125403.db2.gz KBJSNQQYXLFMAS-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC(CC)(CC)CC)[C@@H]1CCOC1 ZINC000391176720 357125450 /nfs/dbraw/zinc/12/54/50/357125450.db2.gz KBJSNQQYXLFMAS-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cncc(F)c1 ZINC000391176969 386471665 /nfs/dbraw/zinc/47/16/65/386471665.db2.gz ILVGYGYCJCRITF-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC(CC)(CC)CC)CCO1 ZINC000391177911 386471168 /nfs/dbraw/zinc/47/11/68/386471168.db2.gz KOJJMVRMUIWXND-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC(CC)(CC)CC)CCO1 ZINC000391177912 386471609 /nfs/dbraw/zinc/47/16/09/386471609.db2.gz KOJJMVRMUIWXND-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC(CC)(CC)CC)CCO1 ZINC000391177914 386469236 /nfs/dbraw/zinc/46/92/36/386469236.db2.gz KOJJMVRMUIWXND-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC(CC)(CC)CC)CCO1 ZINC000391177917 386471690 /nfs/dbraw/zinc/47/16/90/386471690.db2.gz KOJJMVRMUIWXND-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)ccn1 ZINC000391185611 323099551 /nfs/dbraw/zinc/09/95/51/323099551.db2.gz DHORAQKVTWEICD-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)ccn1 ZINC000391185612 323099500 /nfs/dbraw/zinc/09/95/00/323099500.db2.gz DHORAQKVTWEICD-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)ccn1 ZINC000391185614 323099515 /nfs/dbraw/zinc/09/95/15/323099515.db2.gz DHORAQKVTWEICD-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)ccn1 ZINC000391185615 323099511 /nfs/dbraw/zinc/09/95/11/323099511.db2.gz DHORAQKVTWEICD-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ncccc1C ZINC000391185671 539027447 /nfs/dbraw/zinc/02/74/47/539027447.db2.gz OLHHMJHDOHPVRY-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO Cc1cc(C[NH2+][C@@H](CCC(C)C)C2CC2)ccn1 ZINC000391189231 323099586 /nfs/dbraw/zinc/09/95/86/323099586.db2.gz FIBXRIMNDYVSID-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](CCC(C)C)C2CC2)ccn1 ZINC000391189233 323099605 /nfs/dbraw/zinc/09/96/05/323099605.db2.gz FIBXRIMNDYVSID-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000391192686 357126429 /nfs/dbraw/zinc/12/64/29/357126429.db2.gz SLNDCPSDXMTETH-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000391192689 357126222 /nfs/dbraw/zinc/12/62/22/357126222.db2.gz SLNDCPSDXMTETH-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cnccc1C[NH2+]CC(C)(C)CC(C)C ZINC000391195700 357126568 /nfs/dbraw/zinc/12/65/68/357126568.db2.gz LIPXSOGSFGDGDV-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000391197500 386479557 /nfs/dbraw/zinc/47/95/57/386479557.db2.gz NBPWAFYVYYTNHN-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000391197502 386479966 /nfs/dbraw/zinc/47/99/66/386479966.db2.gz NBPWAFYVYYTNHN-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1cccs1 ZINC000391199740 259421323 /nfs/dbraw/zinc/42/13/23/259421323.db2.gz POVBUBZDHLEHCF-CYBMUJFWSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1cccs1 ZINC000391199742 386481934 /nfs/dbraw/zinc/48/19/34/386481934.db2.gz POVBUBZDHLEHCF-ZDUSSCGKSA-N 1 0 246.379 3.692 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000391199963 357126605 /nfs/dbraw/zinc/12/66/05/357126605.db2.gz ZHZBBSGFNNDCQQ-BTTYYORXSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000391199964 539027421 /nfs/dbraw/zinc/02/74/21/539027421.db2.gz ZIAAAUBYKWHTLO-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000391199965 539027592 /nfs/dbraw/zinc/02/75/92/539027592.db2.gz ZIAAAUBYKWHTLO-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000391199967 539027538 /nfs/dbraw/zinc/02/75/38/539027538.db2.gz ZIAAAUBYKWHTLO-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000391199968 539027499 /nfs/dbraw/zinc/02/74/99/539027499.db2.gz ZIAAAUBYKWHTLO-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(C[NH2+]C2CCC(C(C)C)CC2)ccn1 ZINC000391201039 386479222 /nfs/dbraw/zinc/47/92/22/386479222.db2.gz LQXGCPONEKEDFD-UHFFFAOYSA-N 1 0 246.398 3.694 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000391201612 517536696 /nfs/dbraw/zinc/53/66/96/517536696.db2.gz ORRFHOVAOULCBC-CHWSQXEVSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000391201614 386479932 /nfs/dbraw/zinc/47/99/32/386479932.db2.gz ORRFHOVAOULCBC-OLZOCXBDSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000391201617 386479212 /nfs/dbraw/zinc/47/92/12/386479212.db2.gz ORRFHOVAOULCBC-QWHCGFSZSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000391201620 386479507 /nfs/dbraw/zinc/47/95/07/386479507.db2.gz ORRFHOVAOULCBC-STQMWFEESA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000391202282 346495521 /nfs/dbraw/zinc/49/55/21/346495521.db2.gz DFMQFJGZDDLMDE-CYBMUJFWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000391202283 346495483 /nfs/dbraw/zinc/49/54/83/346495483.db2.gz DFMQFJGZDDLMDE-ZDUSSCGKSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cccc(N)c1 ZINC000391203232 488090019 /nfs/dbraw/zinc/09/00/19/488090019.db2.gz AIVMTWLNBDUVJE-UHFFFAOYSA-N 1 0 234.387 3.575 20 0 BHADRO CC(C)CC(C)(C)C[NH2+]Cc1ccc(O)cc1 ZINC000391203356 539027509 /nfs/dbraw/zinc/02/75/09/539027509.db2.gz QMWUXSMDJAYWRS-UHFFFAOYSA-N 1 0 235.371 3.554 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2C)ccn1 ZINC000391207639 386482175 /nfs/dbraw/zinc/48/21/75/386482175.db2.gz QVONNQOUZJBLKV-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2C)ccn1 ZINC000391207641 386481707 /nfs/dbraw/zinc/48/17/07/386481707.db2.gz QVONNQOUZJBLKV-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)s1 ZINC000391210557 386483575 /nfs/dbraw/zinc/48/35/75/386483575.db2.gz VQRKXTPLFWQXCA-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)c2)s1 ZINC000391210560 386483768 /nfs/dbraw/zinc/48/37/68/386483768.db2.gz VQRKXTPLFWQXCA-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000391212363 357126865 /nfs/dbraw/zinc/12/68/65/357126865.db2.gz KOVHPNPDRJSPLU-BTTYYORXSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)ccn1 ZINC000391214048 259421078 /nfs/dbraw/zinc/42/10/78/259421078.db2.gz LKBUALVDQCKYMH-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)ccn1 ZINC000391214051 386487262 /nfs/dbraw/zinc/48/72/62/386487262.db2.gz LKBUALVDQCKYMH-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)ccn1 ZINC000391214054 386487556 /nfs/dbraw/zinc/48/75/56/386487556.db2.gz LKBUALVDQCKYMH-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)ccn1 ZINC000391214057 386487270 /nfs/dbraw/zinc/48/72/70/386487270.db2.gz LKBUALVDQCKYMH-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccccc1 ZINC000391219832 386485911 /nfs/dbraw/zinc/48/59/11/386485911.db2.gz XWFHEFKWYUHHRL-INIZCTEOSA-N 1 0 240.350 3.631 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccccc1 ZINC000391219838 386486977 /nfs/dbraw/zinc/48/69/77/386486977.db2.gz XWFHEFKWYUHHRL-MRXNPFEDSA-N 1 0 240.350 3.631 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccnc(C)c2)c1 ZINC000391220346 386486230 /nfs/dbraw/zinc/48/62/30/386486230.db2.gz YFCSYZVVELAPQJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)c1 ZINC000391220349 386487764 /nfs/dbraw/zinc/48/77/64/386487764.db2.gz YFCSYZVVELAPQJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccncc1C ZINC000391225757 371278798 /nfs/dbraw/zinc/27/87/98/371278798.db2.gz ZZGAUUUGWUITLM-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC1CCOCC1 ZINC000391235605 539027561 /nfs/dbraw/zinc/02/75/61/539027561.db2.gz VMPMOUJUQJYZLT-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(C)C)CCO1 ZINC000391241220 398273186 /nfs/dbraw/zinc/27/31/86/398273186.db2.gz JEGLLIKLNMMCGB-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC(C)C)CCO1 ZINC000391241221 398273453 /nfs/dbraw/zinc/27/34/53/398273453.db2.gz JEGLLIKLNMMCGB-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(C)C)CCO1 ZINC000391241222 398273385 /nfs/dbraw/zinc/27/33/85/398273385.db2.gz JEGLLIKLNMMCGB-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(C)C)CCO1 ZINC000391241223 398137626 /nfs/dbraw/zinc/13/76/26/398137626.db2.gz JEGLLIKLNMMCGB-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC(C)C)C1 ZINC000391262885 541450436 /nfs/dbraw/zinc/45/04/36/541450436.db2.gz VLCSCHVRKINYJC-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CC(C)C)C1 ZINC000391262886 539027942 /nfs/dbraw/zinc/02/79/42/539027942.db2.gz VLCSCHVRKINYJC-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC(C)C)C1 ZINC000391262888 539027689 /nfs/dbraw/zinc/02/76/89/539027689.db2.gz VLCSCHVRKINYJC-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC(C)C)C1 ZINC000391262890 539027846 /nfs/dbraw/zinc/02/78/46/539027846.db2.gz VLCSCHVRKINYJC-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000391391961 262826600 /nfs/dbraw/zinc/82/66/00/262826600.db2.gz IDGLWVCURFXPJJ-CYBMUJFWSA-N 1 0 229.367 3.918 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000391391963 385908200 /nfs/dbraw/zinc/90/82/00/385908200.db2.gz IDGLWVCURFXPJJ-ZDUSSCGKSA-N 1 0 229.367 3.918 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000391469898 259428128 /nfs/dbraw/zinc/42/81/28/259428128.db2.gz KRBHIISIVRYVFZ-AWEZNQCLSA-N 1 0 245.366 3.827 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000391469900 386331636 /nfs/dbraw/zinc/33/16/36/386331636.db2.gz KRBHIISIVRYVFZ-CQSZACIVSA-N 1 0 245.366 3.827 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000391513740 357129851 /nfs/dbraw/zinc/12/98/51/357129851.db2.gz HYLZEHNAGGTZEU-INIZCTEOSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000391513741 357129948 /nfs/dbraw/zinc/12/99/48/357129948.db2.gz HYLZEHNAGGTZEU-MRXNPFEDSA-N 1 0 241.378 3.844 20 0 BHADRO C[C@@H](C[NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000391537350 357130671 /nfs/dbraw/zinc/13/06/71/357130671.db2.gz VGACLBRMKMSDKS-AWEZNQCLSA-N 1 0 243.394 3.960 20 0 BHADRO C[C@H](C[NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000391537353 357130979 /nfs/dbraw/zinc/13/09/79/357130979.db2.gz VGACLBRMKMSDKS-CQSZACIVSA-N 1 0 243.394 3.960 20 0 BHADRO CCCC1(C[NH2+]Cc2cncn2C(C)C)CCC1 ZINC000391830926 488019365 /nfs/dbraw/zinc/01/93/65/488019365.db2.gz OESWIPLJBACDDQ-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000391871767 357135346 /nfs/dbraw/zinc/13/53/46/357135346.db2.gz HWUGPUYVAFNTMC-BTTYYORXSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC[C@H](OC)C2)CCC1 ZINC000391872704 539027755 /nfs/dbraw/zinc/02/77/55/539027755.db2.gz JEJYUKXBBLEUFN-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@H](OC)C2)CCC1 ZINC000391872705 539027931 /nfs/dbraw/zinc/02/79/31/539027931.db2.gz JEJYUKXBBLEUFN-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC[C@@H](OC)C2)CCC1 ZINC000391872706 539027865 /nfs/dbraw/zinc/02/78/65/539027865.db2.gz JEJYUKXBBLEUFN-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@@H](OC)C2)CCC1 ZINC000391872707 539027923 /nfs/dbraw/zinc/02/79/23/539027923.db2.gz JEJYUKXBBLEUFN-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCO[C@@H](CC)C2)CCC1 ZINC000391879769 398297806 /nfs/dbraw/zinc/29/78/06/398297806.db2.gz SIZVSLFDQYYTCX-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCO[C@@H](CC)C2)CCC1 ZINC000391879770 398297852 /nfs/dbraw/zinc/29/78/52/398297852.db2.gz SIZVSLFDQYYTCX-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCO[C@H](CC)C2)CCC1 ZINC000391879771 398297761 /nfs/dbraw/zinc/29/77/61/398297761.db2.gz SIZVSLFDQYYTCX-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCO[C@H](CC)C2)CCC1 ZINC000391879772 398297686 /nfs/dbraw/zinc/29/76/86/398297686.db2.gz SIZVSLFDQYYTCX-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000391882225 353798930 /nfs/dbraw/zinc/79/89/30/353798930.db2.gz YYQPYEDOMUFALW-BFHYXJOUSA-N 1 0 221.388 3.735 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCC1 ZINC000391883623 347242116 /nfs/dbraw/zinc/24/21/16/347242116.db2.gz WAYFPSVKVODOIS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCOC(C)(C)C2)CCC1 ZINC000391883624 347242624 /nfs/dbraw/zinc/24/26/24/347242624.db2.gz WAYFPSVKVODOIS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000391943089 259446679 /nfs/dbraw/zinc/44/66/79/259446679.db2.gz SPJDIFAEUXTEHQ-CYBMUJFWSA-N 1 0 247.382 3.869 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000391943090 259446681 /nfs/dbraw/zinc/44/66/81/259446681.db2.gz SPJDIFAEUXTEHQ-ZDUSSCGKSA-N 1 0 247.382 3.869 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000392780431 387288097 /nfs/dbraw/zinc/28/80/97/387288097.db2.gz AMDLXSTUMMMWQS-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000392780468 387287192 /nfs/dbraw/zinc/28/71/92/387287192.db2.gz AMDLXSTUMMMWQS-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO COc1ccc(C[NH2+]CCC(C)(C)C2CC2)cc1 ZINC000392804825 387291085 /nfs/dbraw/zinc/29/10/85/387291085.db2.gz BFWYWGMAFHXOQF-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c(C)c1 ZINC000392808421 387291342 /nfs/dbraw/zinc/29/13/42/387291342.db2.gz FADAHIQEYSVVRO-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c(C)c1 ZINC000392808426 387291617 /nfs/dbraw/zinc/29/16/17/387291617.db2.gz FADAHIQEYSVVRO-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c(C)c1 ZINC000392808428 387291018 /nfs/dbraw/zinc/29/10/18/387291018.db2.gz FADAHIQEYSVVRO-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c(C)c1 ZINC000392808430 387291373 /nfs/dbraw/zinc/29/13/73/387291373.db2.gz FADAHIQEYSVVRO-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000392809645 387290954 /nfs/dbraw/zinc/29/09/54/387290954.db2.gz GBPZVKVIZILEEJ-UHFFFAOYSA-N 1 0 241.762 3.849 20 0 BHADRO COc1cccc(C[NH2+]CCC(C)(C)C2CC2)c1 ZINC000392820594 357662970 /nfs/dbraw/zinc/66/29/70/357662970.db2.gz CAOMHYGOFZBZBF-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCC23CCCC3)CCC1 ZINC000392821112 357663377 /nfs/dbraw/zinc/66/33/77/357663377.db2.gz HAPTWULTVHJRFE-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CC1(C[NH2+][C@H]2CCCC23CCCC3)CCC1 ZINC000392821114 357662769 /nfs/dbraw/zinc/66/27/69/357662769.db2.gz HAPTWULTVHJRFE-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000392825343 398335641 /nfs/dbraw/zinc/33/56/41/398335641.db2.gz KOKUNZMWJWQEQO-GXTWGEPZSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000392825344 398335687 /nfs/dbraw/zinc/33/56/87/398335687.db2.gz KOKUNZMWJWQEQO-JSGCOSHPSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000392825346 398335624 /nfs/dbraw/zinc/33/56/24/398335624.db2.gz KOKUNZMWJWQEQO-OCCSQVGLSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000392825347 398335718 /nfs/dbraw/zinc/33/57/18/398335718.db2.gz KOKUNZMWJWQEQO-TZMCWYRMSA-N 1 0 221.388 3.735 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000392840052 323387298 /nfs/dbraw/zinc/38/72/98/323387298.db2.gz YJIJTOWRECRQSO-CYBMUJFWSA-N 1 0 235.396 3.951 20 0 BHADRO c1csc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000392840055 323387422 /nfs/dbraw/zinc/38/74/22/323387422.db2.gz YJIJTOWRECRQSO-ZDUSSCGKSA-N 1 0 235.396 3.951 20 0 BHADRO C1CCC([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000392844582 259477639 /nfs/dbraw/zinc/47/76/39/259477639.db2.gz FLYPOGBNXCPOQT-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CCC([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000392844584 259477738 /nfs/dbraw/zinc/47/77/38/259477738.db2.gz FLYPOGBNXCPOQT-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)C1CC1)C1CC1 ZINC000392852101 259477797 /nfs/dbraw/zinc/47/77/97/259477797.db2.gz DVRTXUHFICLEBL-CYBMUJFWSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)C1CC1)C1CC1 ZINC000392852106 387293247 /nfs/dbraw/zinc/29/32/47/387293247.db2.gz DVRTXUHFICLEBL-ZDUSSCGKSA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccsc1C[NH2+]CCC(C)(C)C1CC1 ZINC000392873885 387295951 /nfs/dbraw/zinc/29/59/51/387295951.db2.gz FIFSQULHDFNLGA-UHFFFAOYSA-N 1 0 237.412 3.972 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000392910498 387301163 /nfs/dbraw/zinc/30/11/63/387301163.db2.gz YKFSDYAHCCDASZ-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CCSCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000392910499 387300979 /nfs/dbraw/zinc/30/09/79/387300979.db2.gz YKFSDYAHCCDASZ-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCC(C)(C)C1CC1 ZINC000392913292 387300588 /nfs/dbraw/zinc/30/05/88/387300588.db2.gz YXASQEPUFIELJX-LLVKDONJSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCC(C)(C)C1CC1 ZINC000392913293 259479575 /nfs/dbraw/zinc/47/95/75/259479575.db2.gz YXASQEPUFIELJX-NSHDSACASA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1cccc(O)c1 ZINC000392933278 387303400 /nfs/dbraw/zinc/30/34/00/387303400.db2.gz VHBRDHBVJJOSPK-GFCCVEGCSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cccc(O)c1 ZINC000392933281 387302678 /nfs/dbraw/zinc/30/26/78/387302678.db2.gz VHBRDHBVJJOSPK-LBPRGKRZSA-N 1 0 247.382 3.869 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc(O)c1Cl ZINC000392962597 387305097 /nfs/dbraw/zinc/30/50/97/387305097.db2.gz PSNVRXWAVDPJQZ-UHFFFAOYSA-N 1 0 241.762 3.668 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000393076222 387317576 /nfs/dbraw/zinc/31/75/76/387317576.db2.gz DFHHOTSNFSZRCQ-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000393076229 387317287 /nfs/dbraw/zinc/31/72/87/387317287.db2.gz DFHHOTSNFSZRCQ-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)o1 ZINC000393148715 343753388 /nfs/dbraw/zinc/75/33/88/343753388.db2.gz JYQDIGZEWHEDSR-LLVKDONJSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)o1 ZINC000393148716 343753266 /nfs/dbraw/zinc/75/32/66/343753266.db2.gz JYQDIGZEWHEDSR-NSHDSACASA-N 1 0 221.344 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccs1 ZINC000393178109 488064242 /nfs/dbraw/zinc/06/42/42/488064242.db2.gz JJJPMXCSYZAGHC-GMTAPVOTSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccs1 ZINC000393178113 488063957 /nfs/dbraw/zinc/06/39/57/488063957.db2.gz JJJPMXCSYZAGHC-HBNTYKKESA-N 1 0 227.348 3.679 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393185062 387866456 /nfs/dbraw/zinc/86/64/56/387866456.db2.gz OETPTCJEYISREE-BJDJZHNGSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393185063 262815656 /nfs/dbraw/zinc/81/56/56/262815656.db2.gz OETPTCJEYISREE-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393185065 259488279 /nfs/dbraw/zinc/48/82/79/259488279.db2.gz OETPTCJEYISREE-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393185069 387866918 /nfs/dbraw/zinc/86/69/18/387866918.db2.gz OETPTCJEYISREE-YFKTTZPYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000393195096 357278463 /nfs/dbraw/zinc/27/84/63/357278463.db2.gz YLVZSLRQGWTAGQ-DHMWGJHJSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000393195097 357278356 /nfs/dbraw/zinc/27/83/56/357278356.db2.gz YLVZSLRQGWTAGQ-JURCDPSOSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000393195098 357278482 /nfs/dbraw/zinc/27/84/82/357278482.db2.gz YLVZSLRQGWTAGQ-UXOAXIEHSA-N 1 0 217.356 3.567 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000393198834 387864087 /nfs/dbraw/zinc/86/40/87/387864087.db2.gz CSEULXMXGALFKS-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccco2)CC1 ZINC000393203325 357279516 /nfs/dbraw/zinc/27/95/16/357279516.db2.gz DYSGMKHZACEXIP-AVGNSLFASA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccco2)CC1 ZINC000393203327 357279514 /nfs/dbraw/zinc/27/95/14/357279514.db2.gz DYSGMKHZACEXIP-JHJVBQTASA-N 1 0 221.344 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(Cl)c1 ZINC000393233458 387883646 /nfs/dbraw/zinc/88/36/46/387883646.db2.gz HTQQFQVZLZHPHR-GGVZMXCHSA-N 1 0 245.700 3.644 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(Cl)c1 ZINC000393233462 387884178 /nfs/dbraw/zinc/88/41/78/387884178.db2.gz HTQQFQVZLZHPHR-SWPVVBRQSA-N 1 0 245.700 3.644 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000393237893 487568900 /nfs/dbraw/zinc/56/89/00/487568900.db2.gz JJHQAEXCVFFBHY-CYZMBNFOSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1F ZINC000393237896 487568891 /nfs/dbraw/zinc/56/88/91/487568891.db2.gz JJHQAEXCVFFBHY-RAIGVLPGSA-N 1 0 241.375 3.549 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000393246072 387885013 /nfs/dbraw/zinc/88/50/13/387885013.db2.gz ASXGKMKULABSOQ-NXEZZACHSA-N 1 0 241.762 3.570 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000393246073 387885331 /nfs/dbraw/zinc/88/53/31/387885331.db2.gz ASXGKMKULABSOQ-UWVGGRQHSA-N 1 0 241.762 3.570 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000393246075 387885593 /nfs/dbraw/zinc/88/55/93/387885593.db2.gz ASXGKMKULABSOQ-VHSXEESVSA-N 1 0 241.762 3.570 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000393246077 387885400 /nfs/dbraw/zinc/88/54/00/387885400.db2.gz ASXGKMKULABSOQ-ZJUUUORDSA-N 1 0 241.762 3.570 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000393254135 343779290 /nfs/dbraw/zinc/77/92/90/343779290.db2.gz DDCCRGXDRKNFLP-HZSPNIEDSA-N 1 0 249.402 3.837 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000393254136 343779608 /nfs/dbraw/zinc/77/96/08/343779608.db2.gz DDCCRGXDRKNFLP-IHRRRGAJSA-N 1 0 249.402 3.837 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000393254137 343779737 /nfs/dbraw/zinc/77/97/37/343779737.db2.gz DDCCRGXDRKNFLP-MELADBBJSA-N 1 0 249.402 3.837 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000393254138 343779763 /nfs/dbraw/zinc/77/97/63/343779763.db2.gz DDCCRGXDRKNFLP-RDBSUJKOSA-N 1 0 249.402 3.837 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000393284001 711155769 /nfs/dbraw/zinc/15/57/69/711155769.db2.gz IHISIKYHRROKLX-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000393284003 711156382 /nfs/dbraw/zinc/15/63/82/711156382.db2.gz IHISIKYHRROKLX-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000393284004 711156581 /nfs/dbraw/zinc/15/65/81/711156581.db2.gz IHISIKYHRROKLX-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000393284007 711156154 /nfs/dbraw/zinc/15/61/54/711156154.db2.gz IHISIKYHRROKLX-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000393285096 357280544 /nfs/dbraw/zinc/28/05/44/357280544.db2.gz UBMRTMCTBGTGGJ-AWEZNQCLSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000393285097 357280715 /nfs/dbraw/zinc/28/07/15/357280715.db2.gz UBMRTMCTBGTGGJ-CQSZACIVSA-N 1 0 235.758 3.847 20 0 BHADRO Cc1csc(C[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC000393307817 357280896 /nfs/dbraw/zinc/28/08/96/357280896.db2.gz GDURJFXCTQLWCB-AAEUAGOBSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000393307823 357280686 /nfs/dbraw/zinc/28/06/86/357280686.db2.gz GDURJFXCTQLWCB-DGCLKSJQSA-N 1 0 237.412 3.972 20 0 BHADRO Cc1csc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC000393307829 357280747 /nfs/dbraw/zinc/28/07/47/357280747.db2.gz GDURJFXCTQLWCB-WCQYABFASA-N 1 0 237.412 3.972 20 0 BHADRO Cc1csc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC000393307837 357280709 /nfs/dbraw/zinc/28/07/09/357280709.db2.gz GDURJFXCTQLWCB-YPMHNXCESA-N 1 0 237.412 3.972 20 0 BHADRO CCc1ccc(C[NH2+]C(CC)(CC)CC)nc1 ZINC000393353618 357308423 /nfs/dbraw/zinc/30/84/23/357308423.db2.gz RKZGXYLDEMDHFR-UHFFFAOYSA-N 1 0 234.387 3.702 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCCC(C)(C)CO ZINC000393373099 357308058 /nfs/dbraw/zinc/30/80/58/357308058.db2.gz CLHUBVRQTVVXAL-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCCC(C)(C)CO ZINC000393373101 357308347 /nfs/dbraw/zinc/30/83/47/357308347.db2.gz CLHUBVRQTVVXAL-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)C1CCC1 ZINC000393373344 411231680 /nfs/dbraw/zinc/23/16/80/411231680.db2.gz QEJVLBWSILTOPL-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)C1CCC1 ZINC000393373345 411231639 /nfs/dbraw/zinc/23/16/39/411231639.db2.gz QEJVLBWSILTOPL-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)C(C)(C)C ZINC000393410432 388429231 /nfs/dbraw/zinc/42/92/31/388429231.db2.gz ZOZPRXKEDOGMFI-LLVKDONJSA-N 1 0 211.393 3.837 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)C(C)(C)C ZINC000393410433 388429804 /nfs/dbraw/zinc/42/98/04/388429804.db2.gz ZOZPRXKEDOGMFI-NSHDSACASA-N 1 0 211.393 3.837 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393417355 357307654 /nfs/dbraw/zinc/30/76/54/357307654.db2.gz BIKNHLKHJVDXFU-DGAVXFQQSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393417356 357308466 /nfs/dbraw/zinc/30/84/66/357308466.db2.gz BIKNHLKHJVDXFU-FQUUOJAGSA-N 1 0 221.388 3.591 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393417357 357308021 /nfs/dbraw/zinc/30/80/21/357308021.db2.gz BIKNHLKHJVDXFU-IGQOVBAYSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccoc1 ZINC000393423836 357309407 /nfs/dbraw/zinc/30/94/07/357309407.db2.gz FHLQCIWFCONFFU-AAEUAGOBSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccoc1 ZINC000393423842 357308881 /nfs/dbraw/zinc/30/88/81/357308881.db2.gz FHLQCIWFCONFFU-DGCLKSJQSA-N 1 0 221.344 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccoc1 ZINC000393423848 357309481 /nfs/dbraw/zinc/30/94/81/357309481.db2.gz FHLQCIWFCONFFU-WCQYABFASA-N 1 0 221.344 3.757 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccoc1 ZINC000393423852 357309112 /nfs/dbraw/zinc/30/91/12/357309112.db2.gz FHLQCIWFCONFFU-YPMHNXCESA-N 1 0 221.344 3.757 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)OC ZINC000393424465 357309491 /nfs/dbraw/zinc/30/94/91/357309491.db2.gz CCTFZCBZXHVEGK-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)OC ZINC000393424466 357309152 /nfs/dbraw/zinc/30/91/52/357309152.db2.gz CCTFZCBZXHVEGK-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)OC ZINC000393424468 357309078 /nfs/dbraw/zinc/30/90/78/357309078.db2.gz CCTFZCBZXHVEGK-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C)OC ZINC000393424470 357309449 /nfs/dbraw/zinc/30/94/49/357309449.db2.gz CCTFZCBZXHVEGK-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCCC1 ZINC000393424565 385966815 /nfs/dbraw/zinc/96/68/15/385966815.db2.gz CGNQSIYFHGRSGI-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCCC1 ZINC000393424570 385966773 /nfs/dbraw/zinc/96/67/73/385966773.db2.gz CGNQSIYFHGRSGI-USWWRNFRSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000393426203 357309053 /nfs/dbraw/zinc/30/90/53/357309053.db2.gz CXMKLKPQFGCMGL-LLVKDONJSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000393426205 357309169 /nfs/dbraw/zinc/30/91/69/357309169.db2.gz CXMKLKPQFGCMGL-NSHDSACASA-N 1 0 221.319 3.665 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@H]1F ZINC000393427474 357308778 /nfs/dbraw/zinc/30/87/78/357308778.db2.gz GXLUZDPELYHTAQ-RTXFEEFZSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@H]1F ZINC000393427479 357308935 /nfs/dbraw/zinc/30/89/35/357308935.db2.gz GXLUZDPELYHTAQ-UHTWSYAYSA-N 1 0 241.375 3.549 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000393430015 357309457 /nfs/dbraw/zinc/30/94/57/357309457.db2.gz IADJLOPFHSPZEY-AXFHLTTASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000393430019 357309289 /nfs/dbraw/zinc/30/92/89/357309289.db2.gz IADJLOPFHSPZEY-MXWKQRLJSA-N 1 0 227.348 3.598 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393432547 711158890 /nfs/dbraw/zinc/15/88/90/711158890.db2.gz QTZFNFBEDQJGKQ-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO CCC1CC([NH2+]CCC(C)(C)C2CC2)C1 ZINC000393432802 357309188 /nfs/dbraw/zinc/30/91/88/357309188.db2.gz JGVDXUFMQJZPRI-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C1([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000393433944 357309233 /nfs/dbraw/zinc/30/92/33/357309233.db2.gz RUKXAMYIYDHZLQ-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO Cc1sccc1C[NH2+]CC1CC(C)(C)C1 ZINC000393434825 537864071 /nfs/dbraw/zinc/86/40/71/537864071.db2.gz KJXKPFZMSKJYHN-UHFFFAOYSA-N 1 0 223.385 3.582 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)cs1 ZINC000393437024 357309225 /nfs/dbraw/zinc/30/92/25/357309225.db2.gz SMZHHAJTYKLJHP-UHFFFAOYSA-N 1 0 211.374 3.582 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(C(C)C)CC2)C1 ZINC000393438928 357309348 /nfs/dbraw/zinc/30/93/48/357309348.db2.gz MLHZENNNSVHBKO-GXTWGEPZSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(C(C)C)CC2)C1 ZINC000393438929 357309024 /nfs/dbraw/zinc/30/90/24/357309024.db2.gz MLHZENNNSVHBKO-JSGCOSHPSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(C(C)C)CC2)C1 ZINC000393438931 357309243 /nfs/dbraw/zinc/30/92/43/357309243.db2.gz MLHZENNNSVHBKO-OCCSQVGLSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(C(C)C)CC2)C1 ZINC000393438933 357309486 /nfs/dbraw/zinc/30/94/86/357309486.db2.gz MLHZENNNSVHBKO-TZMCWYRMSA-N 1 0 221.388 3.757 20 0 BHADRO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000393443450 357309104 /nfs/dbraw/zinc/30/91/04/357309104.db2.gz PXEKIGVAPMAJCU-QWHCGFSZSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000393444563 357308956 /nfs/dbraw/zinc/30/89/56/357308956.db2.gz RDSKWHMDXCJFOO-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000393444564 357308949 /nfs/dbraw/zinc/30/89/49/357308949.db2.gz RDSKWHMDXCJFOO-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000393444565 357309035 /nfs/dbraw/zinc/30/90/35/357309035.db2.gz RDSKWHMDXCJFOO-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000393444566 357309365 /nfs/dbraw/zinc/30/93/65/357309365.db2.gz RDSKWHMDXCJFOO-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO Cc1ccc(C[NH2+]C2(C(C)C)CC2)cc1C ZINC000393445228 357309425 /nfs/dbraw/zinc/30/94/25/357309425.db2.gz RVNLTWABARXMHH-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CC(C)(C)C1CC([NH2+]C2CCCCC2)C1 ZINC000393447798 357308842 /nfs/dbraw/zinc/30/88/42/357308842.db2.gz CAIANVPQJOGGFM-UHFFFAOYSA-N 1 0 209.377 3.733 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(CC)cc1)OC ZINC000393448995 357309099 /nfs/dbraw/zinc/30/90/99/357309099.db2.gz CBWWOLMYCVGZRG-BBRMVZONSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(CC)cc1)OC ZINC000393448996 357309013 /nfs/dbraw/zinc/30/90/13/357309013.db2.gz CBWWOLMYCVGZRG-CJNGLKHVSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(CC)cc1)OC ZINC000393448997 357309307 /nfs/dbraw/zinc/30/93/07/357309307.db2.gz CBWWOLMYCVGZRG-CZUORRHYSA-N 1 0 249.398 3.715 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(CC)cc1)OC ZINC000393448998 357309982 /nfs/dbraw/zinc/30/99/82/357309982.db2.gz CBWWOLMYCVGZRG-XJKSGUPXSA-N 1 0 249.398 3.715 20 0 BHADRO C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC(C)(C)C1 ZINC000393449880 357310283 /nfs/dbraw/zinc/31/02/83/357310283.db2.gz VZAYVFFHNHGPIM-LOWDOPEQSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC(C)(C)C1 ZINC000393449883 357309987 /nfs/dbraw/zinc/30/99/87/357309987.db2.gz VZAYVFFHNHGPIM-LPWJVIDDSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC(C)(C)C1 ZINC000393449886 357310321 /nfs/dbraw/zinc/31/03/21/357310321.db2.gz VZAYVFFHNHGPIM-RVMXOQNASA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC(C)(C)C1 ZINC000393449888 357310279 /nfs/dbraw/zinc/31/02/79/357310279.db2.gz VZAYVFFHNHGPIM-XQHKEYJVSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)C1([NH2+]CC2CCCCCC2)CC1 ZINC000393450108 357310608 /nfs/dbraw/zinc/31/06/08/357310608.db2.gz DQOXCHJXEAOZSI-UHFFFAOYSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000393451386 357310130 /nfs/dbraw/zinc/31/01/30/357310130.db2.gz XERWUFCGBHRZGI-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](CO)CC(C)(C)C ZINC000393451387 357310271 /nfs/dbraw/zinc/31/02/71/357310271.db2.gz XERWUFCGBHRZGI-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000393451388 357310188 /nfs/dbraw/zinc/31/01/88/357310188.db2.gz XERWUFCGBHRZGI-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H](CO)CC(C)(C)C ZINC000393451389 357310350 /nfs/dbraw/zinc/31/03/50/357310350.db2.gz XERWUFCGBHRZGI-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000393453517 357310410 /nfs/dbraw/zinc/31/04/10/357310410.db2.gz HATZHKFPCLWTRB-JIMOISOXSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000393453518 357310192 /nfs/dbraw/zinc/31/01/92/357310192.db2.gz HATZHKFPCLWTRB-TVYUQYBPSA-N 1 0 241.737 3.881 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000393453672 357310125 /nfs/dbraw/zinc/31/01/25/357310125.db2.gz HGRDUIPQASIOBP-BNOWGMLFSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000393453674 357310104 /nfs/dbraw/zinc/31/01/04/357310104.db2.gz HGRDUIPQASIOBP-YUTCNCBUSA-N 1 0 221.319 3.536 20 0 BHADRO C[C@H](F)CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000393457002 357310305 /nfs/dbraw/zinc/31/03/05/357310305.db2.gz CNKLYWJXFFZOLN-HIFPTAJRSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@@H](F)CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000393457007 357310513 /nfs/dbraw/zinc/31/05/13/357310513.db2.gz CNKLYWJXFFZOLN-PNESKVBLSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393457901 357310200 /nfs/dbraw/zinc/31/02/00/357310200.db2.gz KBRSUIMNEVXVJC-KXUCPTDWSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393457902 357310065 /nfs/dbraw/zinc/31/00/65/357310065.db2.gz KBRSUIMNEVXVJC-LPEHRKFASA-N 1 0 241.272 3.588 20 0 BHADRO CCC[C@H](C[NH2+][C@H](c1ccccc1)C(C)C)OC ZINC000393459722 357310254 /nfs/dbraw/zinc/31/02/54/357310254.db2.gz FBKWSEREMNWLKW-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](c1ccccc1)C(C)C)OC ZINC000393459723 357310211 /nfs/dbraw/zinc/31/02/11/357310211.db2.gz FBKWSEREMNWLKW-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](c1ccccc1)C(C)C)OC ZINC000393459725 357310070 /nfs/dbraw/zinc/31/00/70/357310070.db2.gz FBKWSEREMNWLKW-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](c1ccccc1)C(C)C)OC ZINC000393459727 357310301 /nfs/dbraw/zinc/31/03/01/357310301.db2.gz FBKWSEREMNWLKW-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000393462462 357310261 /nfs/dbraw/zinc/31/02/61/357310261.db2.gz BOWNBMUQKITVQH-GHMZBOCLSA-N 1 0 203.345 3.539 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000393462465 357310612 /nfs/dbraw/zinc/31/06/12/357310612.db2.gz BOWNBMUQKITVQH-MNOVXSKESA-N 1 0 203.345 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000393462467 357310448 /nfs/dbraw/zinc/31/04/48/357310448.db2.gz BOWNBMUQKITVQH-QWRGUYRKSA-N 1 0 203.345 3.539 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@H](C)F ZINC000393462469 357310258 /nfs/dbraw/zinc/31/02/58/357310258.db2.gz BOWNBMUQKITVQH-WDEREUQCSA-N 1 0 203.345 3.539 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@@H](C)F ZINC000393462647 711160409 /nfs/dbraw/zinc/16/04/09/711160409.db2.gz BVBNRRDGEUUBAJ-NEPJUHHUSA-N 1 0 203.345 3.683 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@H](C)F ZINC000393462649 711160357 /nfs/dbraw/zinc/16/03/57/711160357.db2.gz BVBNRRDGEUUBAJ-NWDGAFQWSA-N 1 0 203.345 3.683 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@H](C)F ZINC000393462651 711160345 /nfs/dbraw/zinc/16/03/45/711160345.db2.gz BVBNRRDGEUUBAJ-RYUDHWBXSA-N 1 0 203.345 3.683 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000393462653 711160480 /nfs/dbraw/zinc/16/04/80/711160480.db2.gz BVBNRRDGEUUBAJ-VXGBXAGGSA-N 1 0 203.345 3.683 20 0 BHADRO CC(C)C1([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000393463652 357310080 /nfs/dbraw/zinc/31/00/80/357310080.db2.gz BMXMSCFWWIQZCK-ITGUQSILSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000393463654 357310075 /nfs/dbraw/zinc/31/00/75/357310075.db2.gz BMXMSCFWWIQZCK-RYUDHWBXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C1([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000393463656 357310016 /nfs/dbraw/zinc/31/00/16/357310016.db2.gz BMXMSCFWWIQZCK-VXGBXAGGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](C[NH2+]C1(C2CC2)CC1)C1CCCCC1 ZINC000393468302 357310861 /nfs/dbraw/zinc/31/08/61/357310861.db2.gz JHJSCIBLUKXTCN-GFCCVEGCSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](C[NH2+]C1(C2CC2)CC1)C1CCCCC1 ZINC000393468304 357311414 /nfs/dbraw/zinc/31/14/14/357311414.db2.gz JHJSCIBLUKXTCN-LBPRGKRZSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000393476007 357311362 /nfs/dbraw/zinc/31/13/62/357311362.db2.gz HZJHLJUFAZPIHT-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO CCC1CC([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000393477910 388431255 /nfs/dbraw/zinc/43/12/55/388431255.db2.gz MRUMYAWYGFBUQO-UHFFFAOYSA-N 1 0 209.377 3.589 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000393478681 711160808 /nfs/dbraw/zinc/16/08/08/711160808.db2.gz NEPMHISXESNASK-LLVKDONJSA-N 1 0 209.308 3.585 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000393478684 711160182 /nfs/dbraw/zinc/16/01/82/711160182.db2.gz NEPMHISXESNASK-NSHDSACASA-N 1 0 209.308 3.585 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)c1ccc(C)cc1)OC ZINC000393480044 357284488 /nfs/dbraw/zinc/28/44/88/357284488.db2.gz QIKRAWPCSJXVJV-CVEARBPZSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CC)c1ccc(C)cc1)OC ZINC000393480048 357284070 /nfs/dbraw/zinc/28/40/70/357284070.db2.gz QIKRAWPCSJXVJV-HOTGVXAUSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)c1ccc(C)cc1)OC ZINC000393480050 357284474 /nfs/dbraw/zinc/28/44/74/357284474.db2.gz QIKRAWPCSJXVJV-HZPDHXFCSA-N 1 0 249.398 3.851 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CC)c1ccc(C)cc1)OC ZINC000393480052 357284343 /nfs/dbraw/zinc/28/43/43/357284343.db2.gz QIKRAWPCSJXVJV-JKSUJKDBSA-N 1 0 249.398 3.851 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000393480877 357284607 /nfs/dbraw/zinc/28/46/07/357284607.db2.gz UUFPZTLVTMWACZ-UHFFFAOYSA-N 1 0 223.747 3.704 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[C@@H](C)F ZINC000393481863 357284562 /nfs/dbraw/zinc/28/45/62/357284562.db2.gz RBUSSUFBJBQJNO-FDYHWXHSSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000393481864 357284100 /nfs/dbraw/zinc/28/41/00/357284100.db2.gz RBUSSUFBJBQJNO-LPWJVIDDSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[C@H](C)F ZINC000393481867 357284222 /nfs/dbraw/zinc/28/42/22/357284222.db2.gz RBUSSUFBJBQJNO-XQHKEYJVSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[C@H](C)F ZINC000393481869 357284384 /nfs/dbraw/zinc/28/43/84/357284384.db2.gz RBUSSUFBJBQJNO-YVECIDJPSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC(C)(F)F ZINC000393482665 357284598 /nfs/dbraw/zinc/28/45/98/357284598.db2.gz LBGFUEFKYXHLAT-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC(C)(F)F ZINC000393482666 357284332 /nfs/dbraw/zinc/28/43/32/357284332.db2.gz LBGFUEFKYXHLAT-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]CCC2CC2)c1 ZINC000393489049 411233108 /nfs/dbraw/zinc/23/31/08/411233108.db2.gz MLJITIFMWOBEPV-UHFFFAOYSA-N 1 0 223.747 3.538 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000393496806 385817215 /nfs/dbraw/zinc/81/72/15/385817215.db2.gz WMATXBOIPRUSLP-NXEZZACHSA-N 1 0 247.766 3.772 20 0 BHADRO Cc1ccsc1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000393498317 357285315 /nfs/dbraw/zinc/28/53/15/357285315.db2.gz YGPFNPDIRKHLEN-UHFFFAOYSA-N 1 0 237.412 3.971 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@@H](C)c1ccccc1)OC ZINC000393498938 357285156 /nfs/dbraw/zinc/28/51/56/357285156.db2.gz YMSJLTFTWUXZBJ-GDBMZVCRSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@H](C)c1ccccc1)OC ZINC000393498940 357285710 /nfs/dbraw/zinc/28/57/10/357285710.db2.gz YMSJLTFTWUXZBJ-GOEBONIOSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@H](C)c1ccccc1)OC ZINC000393498941 357285572 /nfs/dbraw/zinc/28/55/72/357285572.db2.gz YMSJLTFTWUXZBJ-HOCLYGCPSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@@H](C)c1ccccc1)OC ZINC000393498943 357285198 /nfs/dbraw/zinc/28/51/98/357285198.db2.gz YMSJLTFTWUXZBJ-ZBFHGGJFSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000393499680 357285094 /nfs/dbraw/zinc/28/50/94/357285094.db2.gz YYQPYEDOMUFALW-MJBXVCDLSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CCC12CCC2)C1CC1 ZINC000393500792 323104649 /nfs/dbraw/zinc/10/46/49/323104649.db2.gz UQVVMHSPXKMTOG-CYBMUJFWSA-N 1 0 221.388 3.735 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CCC12CCC2)C1CC1 ZINC000393500794 323104697 /nfs/dbraw/zinc/10/46/97/323104697.db2.gz UQVVMHSPXKMTOG-ZDUSSCGKSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000393503149 410724649 /nfs/dbraw/zinc/72/46/49/410724649.db2.gz GNKVVRYNFDHWSP-GHMZBOCLSA-N 1 0 243.753 3.781 20 0 BHADRO C[C@H](F)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000393503152 411360717 /nfs/dbraw/zinc/36/07/17/411360717.db2.gz GNKVVRYNFDHWSP-MNOVXSKESA-N 1 0 243.753 3.781 20 0 BHADRO C[C@@H](C[NH2+]CC[C@H](C)F)c1cccc(Cl)c1 ZINC000393503153 411361134 /nfs/dbraw/zinc/36/11/34/411361134.db2.gz GNKVVRYNFDHWSP-QWRGUYRKSA-N 1 0 243.753 3.781 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000393503155 410724282 /nfs/dbraw/zinc/72/42/82/410724282.db2.gz GNKVVRYNFDHWSP-WDEREUQCSA-N 1 0 243.753 3.781 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2cccs2)C1 ZINC000393504946 357285008 /nfs/dbraw/zinc/28/50/08/357285008.db2.gz VCHAQIZEDKMSJO-UHFFFAOYSA-N 1 0 223.385 3.662 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000393509708 357286523 /nfs/dbraw/zinc/28/65/23/357286523.db2.gz YWJKDZBIKSLZDN-UHFFFAOYSA-N 1 0 217.356 3.582 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000393511330 711161354 /nfs/dbraw/zinc/16/13/54/711161354.db2.gz ZSRQHBPIKPPHKX-GHMZBOCLSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000393511332 711162187 /nfs/dbraw/zinc/16/21/87/711162187.db2.gz ZSRQHBPIKPPHKX-MNOVXSKESA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000393511334 711162037 /nfs/dbraw/zinc/16/20/37/711162037.db2.gz ZSRQHBPIKPPHKX-QWRGUYRKSA-N 1 0 209.308 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000393511337 711161960 /nfs/dbraw/zinc/16/19/60/711161960.db2.gz ZSRQHBPIKPPHKX-WDEREUQCSA-N 1 0 209.308 3.583 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393515000 388432600 /nfs/dbraw/zinc/43/26/00/388432600.db2.gz WQFNZIBVOMUNCK-OYNZBZHQSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000393515004 388432172 /nfs/dbraw/zinc/43/21/72/388432172.db2.gz WQFNZIBVOMUNCK-RUAUBTSSSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393515007 388432567 /nfs/dbraw/zinc/43/25/67/388432567.db2.gz WQFNZIBVOMUNCK-YOENINGUSA-N 1 0 247.357 3.535 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC[C@@H](CC)CC1)OC ZINC000393517687 411233084 /nfs/dbraw/zinc/23/30/84/411233084.db2.gz MFUJBPVGBGFLBF-QLFBSQMISA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](CC)CC1)OC ZINC000393517688 410736286 /nfs/dbraw/zinc/73/62/86/410736286.db2.gz MFUJBPVGBGFLBF-RBSFLKMASA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC[C@H](CC)CC1)OC ZINC000393517689 410737764 /nfs/dbraw/zinc/73/77/64/410737764.db2.gz MFUJBPVGBGFLBF-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC[C@H](CC)CC1)OC ZINC000393517690 410737662 /nfs/dbraw/zinc/73/76/62/410737662.db2.gz MFUJBPVGBGFLBF-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@@H](C)F ZINC000393517865 410737265 /nfs/dbraw/zinc/73/72/65/410737265.db2.gz MECARDJJHVGCMB-AAVRWANBSA-N 1 0 229.383 3.785 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@H](C)F ZINC000393517866 410736307 /nfs/dbraw/zinc/73/63/07/410736307.db2.gz MECARDJJHVGCMB-RQJABVFESA-N 1 0 229.383 3.785 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@@H](C)F ZINC000393517867 410737093 /nfs/dbraw/zinc/73/70/93/410737093.db2.gz MECARDJJHVGCMB-SYQHCUMBSA-N 1 0 229.383 3.785 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393521092 357286347 /nfs/dbraw/zinc/28/63/47/357286347.db2.gz PCWTWWNFQVQFPS-FVCCEPFGSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393521093 357286272 /nfs/dbraw/zinc/28/62/72/357286272.db2.gz PCWTWWNFQVQFPS-MROQNXINSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393521094 357286499 /nfs/dbraw/zinc/28/64/99/357286499.db2.gz PCWTWWNFQVQFPS-QNWHQSFQSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393521096 357286543 /nfs/dbraw/zinc/28/65/43/357286543.db2.gz PCWTWWNFQVQFPS-ZDEQEGDKSA-N 1 0 215.356 3.681 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000393528453 343889070 /nfs/dbraw/zinc/88/90/70/343889070.db2.gz VEWLJBNNIDNLIT-DKNRTOFZSA-N 1 0 227.367 3.826 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000393531947 410745875 /nfs/dbraw/zinc/74/58/75/410745875.db2.gz XUAUSTZMJJBWLI-LLVKDONJSA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000393531949 410746598 /nfs/dbraw/zinc/74/65/98/410746598.db2.gz XUAUSTZMJJBWLI-NSHDSACASA-N 1 0 221.319 3.665 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@@H](C)F ZINC000393534705 357286267 /nfs/dbraw/zinc/28/62/67/357286267.db2.gz ZUZIGPYSKMTOLC-NEPJUHHUSA-N 1 0 203.345 3.539 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@H](C)F ZINC000393534706 357287403 /nfs/dbraw/zinc/28/74/03/357287403.db2.gz ZUZIGPYSKMTOLC-NWDGAFQWSA-N 1 0 203.345 3.539 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@H](C)F ZINC000393534708 357287376 /nfs/dbraw/zinc/28/73/76/357287376.db2.gz ZUZIGPYSKMTOLC-RYUDHWBXSA-N 1 0 203.345 3.539 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000393534710 357287311 /nfs/dbraw/zinc/28/73/11/357287311.db2.gz ZUZIGPYSKMTOLC-VXGBXAGGSA-N 1 0 203.345 3.539 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@@H](C)F ZINC000393549272 259333113 /nfs/dbraw/zinc/33/31/13/259333113.db2.gz IUAQZIJLLBDIOT-LLVKDONJSA-N 1 0 243.753 3.795 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@H](C)F ZINC000393549275 259333487 /nfs/dbraw/zinc/33/34/87/259333487.db2.gz IUAQZIJLLBDIOT-NSHDSACASA-N 1 0 243.753 3.795 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c(C)s1 ZINC000393572087 357287406 /nfs/dbraw/zinc/28/74/06/357287406.db2.gz SYDBPKJGHSXBTC-KBPBESRZSA-N 1 0 235.396 3.501 20 0 BHADRO CCC[C@]1([NH2+]CCC2CCCCC2)CCOC1 ZINC000393572421 388433981 /nfs/dbraw/zinc/43/39/81/388433981.db2.gz TUBMGKNYNZNTLW-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC[C@@]1([NH2+]CCC2CCCCC2)CCOC1 ZINC000393572422 388434117 /nfs/dbraw/zinc/43/41/17/388434117.db2.gz TUBMGKNYNZNTLW-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000393576238 357288317 /nfs/dbraw/zinc/28/83/17/357288317.db2.gz WFDGZLNYAJLDLZ-RFQIPJPRSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000393576242 357288655 /nfs/dbraw/zinc/28/86/55/357288655.db2.gz WFDGZLNYAJLDLZ-XDQVBPFNSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000393576244 357288427 /nfs/dbraw/zinc/28/84/27/357288427.db2.gz WFDGZLNYAJLDLZ-YIYPIFLZSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000393576246 357288199 /nfs/dbraw/zinc/28/81/99/357288199.db2.gz WFDGZLNYAJLDLZ-ZOBORPQBSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393576929 357288310 /nfs/dbraw/zinc/28/83/10/357288310.db2.gz WWZAGTFAEJHLOF-XQQFMLRXSA-N 1 0 223.404 3.837 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1sccc1Cl ZINC000393581340 323012997 /nfs/dbraw/zinc/01/29/97/323012997.db2.gz IJNIZNUSIHTWJF-MRVPVSSYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1sccc1Cl ZINC000393581343 323012951 /nfs/dbraw/zinc/01/29/51/323012951.db2.gz IJNIZNUSIHTWJF-QMMMGPOBSA-N 1 0 217.765 3.537 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000393584864 631752540 /nfs/dbraw/zinc/75/25/40/631752540.db2.gz CIUHBAVRYGABIR-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000393584865 631753298 /nfs/dbraw/zinc/75/32/98/631753298.db2.gz CIUHBAVRYGABIR-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000393584866 631753084 /nfs/dbraw/zinc/75/30/84/631753084.db2.gz CIUHBAVRYGABIR-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000393584867 631752157 /nfs/dbraw/zinc/75/21/57/631752157.db2.gz CIUHBAVRYGABIR-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccccc1 ZINC000393586195 388434374 /nfs/dbraw/zinc/43/43/74/388434374.db2.gz AJQJGKINTRKPSZ-AWEZNQCLSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccccc1 ZINC000393586196 388434547 /nfs/dbraw/zinc/43/45/47/388434547.db2.gz AJQJGKINTRKPSZ-CQSZACIVSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000393595866 357288173 /nfs/dbraw/zinc/28/81/73/357288173.db2.gz GJQWVVVGQZRRPF-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000393595867 357288079 /nfs/dbraw/zinc/28/80/79/357288079.db2.gz GJQWVVVGQZRRPF-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000393595868 357288726 /nfs/dbraw/zinc/28/87/26/357288726.db2.gz GJQWVVVGQZRRPF-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000393595869 345413272 /nfs/dbraw/zinc/41/32/72/345413272.db2.gz GJQWVVVGQZRRPF-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000393600251 357288355 /nfs/dbraw/zinc/28/83/55/357288355.db2.gz AEMRWPCUCSKOQH-GFCCVEGCSA-N 1 0 241.325 3.999 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000393600253 357288296 /nfs/dbraw/zinc/28/82/96/357288296.db2.gz AEMRWPCUCSKOQH-LBPRGKRZSA-N 1 0 241.325 3.999 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000393602027 357288829 /nfs/dbraw/zinc/28/88/29/357288829.db2.gz UOABYQQDGQSNJD-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000393602029 357288094 /nfs/dbraw/zinc/28/80/94/357288094.db2.gz UOABYQQDGQSNJD-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000393603058 345535266 /nfs/dbraw/zinc/53/52/66/345535266.db2.gz FPIDZOJQBJOIBT-CHWSQXEVSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000393603059 345535305 /nfs/dbraw/zinc/53/53/05/345535305.db2.gz FPIDZOJQBJOIBT-OLZOCXBDSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000393603060 345534887 /nfs/dbraw/zinc/53/48/87/345534887.db2.gz FPIDZOJQBJOIBT-QWHCGFSZSA-N 1 0 215.356 3.685 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000393603061 323032137 /nfs/dbraw/zinc/03/21/37/323032137.db2.gz FPIDZOJQBJOIBT-STQMWFEESA-N 1 0 215.356 3.685 20 0 BHADRO CCC[C@@H]([NH2+]C1CC=CC1)c1ccsc1 ZINC000393603821 582816739 /nfs/dbraw/zinc/81/67/39/582816739.db2.gz BBMDNQQLIMVRKP-CYBMUJFWSA-N 1 0 221.369 3.898 20 0 BHADRO CCC[C@H]([NH2+]C1CC=CC1)c1ccsc1 ZINC000393603822 582816749 /nfs/dbraw/zinc/81/67/49/582816749.db2.gz BBMDNQQLIMVRKP-ZDUSSCGKSA-N 1 0 221.369 3.898 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000393603952 323032457 /nfs/dbraw/zinc/03/24/57/323032457.db2.gz HTLKJNCJQNLOGK-JTQLQIEISA-N 1 0 209.333 3.736 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000393603956 323032533 /nfs/dbraw/zinc/03/25/33/323032533.db2.gz HTLKJNCJQNLOGK-SNVBAGLBSA-N 1 0 209.333 3.736 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000393604815 357289641 /nfs/dbraw/zinc/28/96/41/357289641.db2.gz JRTHUMUIFHGZPV-AAEUAGOBSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000393604817 357289516 /nfs/dbraw/zinc/28/95/16/357289516.db2.gz JRTHUMUIFHGZPV-DGCLKSJQSA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1(C2CC2)CC1 ZINC000393604819 357289164 /nfs/dbraw/zinc/28/91/64/357289164.db2.gz JRTHUMUIFHGZPV-WCQYABFASA-N 1 0 209.377 3.733 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000393604821 357288951 /nfs/dbraw/zinc/28/89/51/357288951.db2.gz JRTHUMUIFHGZPV-YPMHNXCESA-N 1 0 209.377 3.733 20 0 BHADRO CC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000393605765 345593336 /nfs/dbraw/zinc/59/33/36/345593336.db2.gz FTFXGXXLBLYFNQ-UHFFFAOYSA-N 1 0 205.345 3.655 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000393605852 357288892 /nfs/dbraw/zinc/28/88/92/357288892.db2.gz LPJUUTCZTJAOIR-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000393605853 357289117 /nfs/dbraw/zinc/28/91/17/357289117.db2.gz LPJUUTCZTJAOIR-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000393605854 357289039 /nfs/dbraw/zinc/28/90/39/357289039.db2.gz LPJUUTCZTJAOIR-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000393605855 357289251 /nfs/dbraw/zinc/28/92/51/357289251.db2.gz LPJUUTCZTJAOIR-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000393606257 710633039 /nfs/dbraw/zinc/63/30/39/710633039.db2.gz GWDCNTPDLGNQLB-JTQLQIEISA-N 1 0 221.335 3.979 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000393606263 710633093 /nfs/dbraw/zinc/63/30/93/710633093.db2.gz GWDCNTPDLGNQLB-SNVBAGLBSA-N 1 0 221.335 3.979 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000393608081 388435018 /nfs/dbraw/zinc/43/50/18/388435018.db2.gz JOQBHMOLGKPDLH-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000393608082 388435282 /nfs/dbraw/zinc/43/52/82/388435282.db2.gz JOQBHMOLGKPDLH-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000393608085 259358104 /nfs/dbraw/zinc/35/81/04/259358104.db2.gz JOQBHMOLGKPDLH-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000393608087 259358161 /nfs/dbraw/zinc/35/81/61/259358161.db2.gz JOQBHMOLGKPDLH-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)C1CCCCC1 ZINC000393609025 259707505 /nfs/dbraw/zinc/70/75/05/259707505.db2.gz SGKGBSYUXGFRTP-CYBMUJFWSA-N 1 0 209.377 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000393609026 388435068 /nfs/dbraw/zinc/43/50/68/388435068.db2.gz SGKGBSYUXGFRTP-ZDUSSCGKSA-N 1 0 209.377 3.901 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)SC ZINC000393609813 323033521 /nfs/dbraw/zinc/03/35/21/323033521.db2.gz SWVMSJFCHMHKHT-LOWDOPEQSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)SC ZINC000393609814 323033446 /nfs/dbraw/zinc/03/34/46/323033446.db2.gz SWVMSJFCHMHKHT-RVMXOQNASA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)SC ZINC000393609815 323033479 /nfs/dbraw/zinc/03/34/79/323033479.db2.gz SWVMSJFCHMHKHT-UMSGYPCISA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)SC ZINC000393609816 323033480 /nfs/dbraw/zinc/03/34/80/323033480.db2.gz SWVMSJFCHMHKHT-WUHRBBMRSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000393610503 259360022 /nfs/dbraw/zinc/36/00/22/259360022.db2.gz ALOQOWIRMPHXQP-KBPBESRZSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000393610505 259360007 /nfs/dbraw/zinc/36/00/07/259360007.db2.gz ALOQOWIRMPHXQP-KGLIPLIRSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000393610507 259360025 /nfs/dbraw/zinc/36/00/25/259360025.db2.gz ALOQOWIRMPHXQP-UONOGXRCSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000393610508 259360018 /nfs/dbraw/zinc/36/00/18/259360018.db2.gz ALOQOWIRMPHXQP-ZIAGYGMSSA-N 1 0 209.377 3.757 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000393610524 388435082 /nfs/dbraw/zinc/43/50/82/388435082.db2.gz AOFOJDCBSRWHGN-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000393610527 259707459 /nfs/dbraw/zinc/70/74/59/259707459.db2.gz AOFOJDCBSRWHGN-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC1)C1CCCCC1 ZINC000393611486 259361382 /nfs/dbraw/zinc/36/13/82/259361382.db2.gz XRJVVNJWWDUQON-CYBMUJFWSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC1)C1CCCCC1 ZINC000393611488 259361378 /nfs/dbraw/zinc/36/13/78/259361378.db2.gz XRJVVNJWWDUQON-ZDUSSCGKSA-N 1 0 209.377 3.735 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1cccs1 ZINC000393612899 346444486 /nfs/dbraw/zinc/44/44/86/346444486.db2.gz JLJLNFCPDYBOLT-LLVKDONJSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1cccs1 ZINC000393612901 346444460 /nfs/dbraw/zinc/44/44/60/346444460.db2.gz JLJLNFCPDYBOLT-NSHDSACASA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000393613146 388435426 /nfs/dbraw/zinc/43/54/26/388435426.db2.gz HDZORPQVIYPFDT-CHWSQXEVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000393613148 388435496 /nfs/dbraw/zinc/43/54/96/388435496.db2.gz HDZORPQVIYPFDT-OLZOCXBDSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000393613149 388434913 /nfs/dbraw/zinc/43/49/13/388434913.db2.gz HDZORPQVIYPFDT-QWHCGFSZSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000393613151 323075408 /nfs/dbraw/zinc/07/54/08/323075408.db2.gz HDZORPQVIYPFDT-STQMWFEESA-N 1 0 209.377 3.591 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000393613704 323075370 /nfs/dbraw/zinc/07/53/70/323075370.db2.gz IPKUUCMHFFXPLM-GFCCVEGCSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000393613705 323075382 /nfs/dbraw/zinc/07/53/82/323075382.db2.gz IPKUUCMHFFXPLM-LBPRGKRZSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1cc(C[NH2+]C2CC(C)(C)C2)c(C)s1 ZINC000393614437 357289971 /nfs/dbraw/zinc/28/99/71/357289971.db2.gz VFZQZQLOXKPSRH-UHFFFAOYSA-N 1 0 223.385 3.643 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)C(F)(F)F ZINC000393617147 357290102 /nfs/dbraw/zinc/29/01/02/357290102.db2.gz AZNNHLXDEKKPPE-UHFFFAOYSA-N 1 0 225.298 3.601 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)C2CCC2)CC1 ZINC000393617750 323075701 /nfs/dbraw/zinc/07/57/01/323075701.db2.gz YFPJZABRJYDZRU-GFCCVEGCSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)C2CCC2)CC1 ZINC000393617751 323075702 /nfs/dbraw/zinc/07/57/02/323075702.db2.gz YFPJZABRJYDZRU-LBPRGKRZSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000393618247 259361608 /nfs/dbraw/zinc/36/16/08/259361608.db2.gz ZIYRFUTUWCXKNZ-GWCFXTLKSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000393618248 259361594 /nfs/dbraw/zinc/36/15/94/259361594.db2.gz ZIYRFUTUWCXKNZ-GXFFZTMASA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000393618249 259361578 /nfs/dbraw/zinc/36/15/78/259361578.db2.gz ZIYRFUTUWCXKNZ-MFKMUULPSA-N 1 0 223.747 3.618 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000393618250 259361591 /nfs/dbraw/zinc/36/15/91/259361591.db2.gz ZIYRFUTUWCXKNZ-ZWNOBZJWSA-N 1 0 223.747 3.618 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC(C)C ZINC000393618877 384452806 /nfs/dbraw/zinc/45/28/06/384452806.db2.gz LCPUPTPHPZKLOS-CYBMUJFWSA-N 1 0 205.345 3.610 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(C)C ZINC000393618882 397773631 /nfs/dbraw/zinc/77/36/31/397773631.db2.gz LCPUPTPHPZKLOS-ZDUSSCGKSA-N 1 0 205.345 3.610 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCCC1(C)C ZINC000393620416 357290284 /nfs/dbraw/zinc/29/02/84/357290284.db2.gz QBNPGNXZJCDIJG-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000393620418 357290405 /nfs/dbraw/zinc/29/04/05/357290405.db2.gz QBNPGNXZJCDIJG-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC[C@H]1C)C1CCC1 ZINC000393620961 582825290 /nfs/dbraw/zinc/82/52/90/582825290.db2.gz GMCDJGHTLKOCTA-BZPMIXESSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC[C@H]1C)C1CCC1 ZINC000393620962 582825229 /nfs/dbraw/zinc/82/52/29/582825229.db2.gz GMCDJGHTLKOCTA-DYEKYZERSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)C1CCC1 ZINC000393620963 582825295 /nfs/dbraw/zinc/82/52/95/582825295.db2.gz GMCDJGHTLKOCTA-MBNYWOFBSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1C)C1CCC1 ZINC000393620964 582825288 /nfs/dbraw/zinc/82/52/88/582825288.db2.gz GMCDJGHTLKOCTA-YRGRVCCFSA-N 1 0 209.377 3.733 20 0 BHADRO CCC1CC([NH2+]CCCSCC(C)C)C1 ZINC000393621103 259707605 /nfs/dbraw/zinc/70/76/05/259707605.db2.gz QAYVMDACGZXUAZ-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CCCCCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000393621569 711167120 /nfs/dbraw/zinc/16/71/20/711167120.db2.gz RZJOGXJJJRDGMD-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000393621572 711167110 /nfs/dbraw/zinc/16/71/10/711167110.db2.gz RZJOGXJJJRDGMD-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000393621575 711166512 /nfs/dbraw/zinc/16/65/12/711166512.db2.gz RZJOGXJJJRDGMD-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CCCCCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000393621578 711167094 /nfs/dbraw/zinc/16/70/94/711167094.db2.gz RZJOGXJJJRDGMD-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCSCC(C)C ZINC000393621658 388436019 /nfs/dbraw/zinc/43/60/19/388436019.db2.gz SGRMLGHRQQTXGQ-CHWSQXEVSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCSCC(C)C ZINC000393621660 388435890 /nfs/dbraw/zinc/43/58/90/388435890.db2.gz SGRMLGHRQQTXGQ-OLZOCXBDSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCSCC(C)C ZINC000393621661 388436621 /nfs/dbraw/zinc/43/66/21/388436621.db2.gz SGRMLGHRQQTXGQ-QWHCGFSZSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCSCC(C)C ZINC000393621663 388435909 /nfs/dbraw/zinc/43/59/09/388435909.db2.gz SGRMLGHRQQTXGQ-STQMWFEESA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C)CC[NH2+]CC(C)(C)C(F)(F)F ZINC000393621760 363532726 /nfs/dbraw/zinc/53/27/26/363532726.db2.gz ITRQTRQSQDJBOQ-UHFFFAOYSA-N 1 0 225.298 3.601 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000393621822 259366616 /nfs/dbraw/zinc/36/66/16/259366616.db2.gz VLEOYBXGHBKDCX-GRYCIOLGSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000393621823 259366697 /nfs/dbraw/zinc/36/66/97/259366697.db2.gz VLEOYBXGHBKDCX-IJLUTSLNSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)C(C)(C)C ZINC000393621824 259366695 /nfs/dbraw/zinc/36/66/95/259366695.db2.gz VLEOYBXGHBKDCX-QJPTWQEYSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@H](C)C1)C(C)(C)C ZINC000393621825 259366646 /nfs/dbraw/zinc/36/66/46/259366646.db2.gz VLEOYBXGHBKDCX-SDDRHHMPSA-N 1 0 229.433 3.542 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)s1 ZINC000393622592 385670373 /nfs/dbraw/zinc/67/03/73/385670373.db2.gz VEQQHLJMLCHBGD-GHMZBOCLSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)s1 ZINC000393622595 259376403 /nfs/dbraw/zinc/37/64/03/259376403.db2.gz VEQQHLJMLCHBGD-MNOVXSKESA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)s1 ZINC000393622598 259376410 /nfs/dbraw/zinc/37/64/10/259376410.db2.gz VEQQHLJMLCHBGD-QWRGUYRKSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)s1 ZINC000393622601 259376407 /nfs/dbraw/zinc/37/64/07/259376407.db2.gz VEQQHLJMLCHBGD-WDEREUQCSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC(C)(F)F ZINC000393625728 357290898 /nfs/dbraw/zinc/29/08/98/357290898.db2.gz WLFSGFZLWBOUED-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC(C)(F)F ZINC000393625729 357290735 /nfs/dbraw/zinc/29/07/35/357290735.db2.gz WLFSGFZLWBOUED-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000393626967 410750759 /nfs/dbraw/zinc/75/07/59/410750759.db2.gz XUTQQBOBFLEYSY-ILXRZTDVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000393626968 410326359 /nfs/dbraw/zinc/32/63/59/410326359.db2.gz XUTQQBOBFLEYSY-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000393626969 410750562 /nfs/dbraw/zinc/75/05/62/410750562.db2.gz XUTQQBOBFLEYSY-QLFBSQMISA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000393626970 410750291 /nfs/dbraw/zinc/75/02/91/410750291.db2.gz XUTQQBOBFLEYSY-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccsc1)C(C)(C)C ZINC000393627904 357290892 /nfs/dbraw/zinc/29/08/92/357290892.db2.gz HYDDRHVRWVDRPB-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(C(F)F)CCCC1 ZINC000393628571 583087254 /nfs/dbraw/zinc/08/72/54/583087254.db2.gz JBSVJBWHXBXYKF-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(C(F)F)CCCC1 ZINC000393628578 582828317 /nfs/dbraw/zinc/82/83/17/582828317.db2.gz JBSVJBWHXBXYKF-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000393630975 711166473 /nfs/dbraw/zinc/16/64/73/711166473.db2.gz NTNKMKUBIRZMCZ-GFCCVEGCSA-N 1 0 205.345 3.698 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000393630976 711166974 /nfs/dbraw/zinc/16/69/74/711166974.db2.gz NTNKMKUBIRZMCZ-LBPRGKRZSA-N 1 0 205.345 3.698 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCC1CCCC1 ZINC000393632129 259382277 /nfs/dbraw/zinc/38/22/77/259382277.db2.gz PQQBUCAHMRAZCG-GFCCVEGCSA-N 1 0 209.377 3.735 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCC1CCCC1 ZINC000393632130 259382034 /nfs/dbraw/zinc/38/20/34/259382034.db2.gz PQQBUCAHMRAZCG-LBPRGKRZSA-N 1 0 209.377 3.735 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(F)F)c(Cl)c1 ZINC000393633190 411029297 /nfs/dbraw/zinc/02/92/97/411029297.db2.gz KQGORSYJOHPZBN-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(SC)s1 ZINC000393644700 388436336 /nfs/dbraw/zinc/43/63/36/388436336.db2.gz FIGHUWYNSPKXLR-UHFFFAOYSA-N 1 0 243.441 3.996 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000393646641 357291872 /nfs/dbraw/zinc/29/18/72/357291872.db2.gz IKRAHNCBLYPOOM-LLVKDONJSA-N 1 0 245.338 3.834 20 0 BHADRO CC(F)(F)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000393646643 357291281 /nfs/dbraw/zinc/29/12/81/357291281.db2.gz IKRAHNCBLYPOOM-NSHDSACASA-N 1 0 245.338 3.834 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC000393654527 357291876 /nfs/dbraw/zinc/29/18/76/357291876.db2.gz SKGHVNQTXIVBRX-AWEZNQCLSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC000393654529 357291589 /nfs/dbraw/zinc/29/15/89/357291589.db2.gz SKGHVNQTXIVBRX-CQSZACIVSA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)(C)CC[NH2+]CCCc1cccs1 ZINC000393657640 357291690 /nfs/dbraw/zinc/29/16/90/357291690.db2.gz VPOQEMNKJKKHFO-UHFFFAOYSA-N 1 0 225.401 3.707 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1F ZINC000393664782 711168309 /nfs/dbraw/zinc/16/83/09/711168309.db2.gz FQDKBXKVHPJAMN-NWPZZWLHSA-N 1 0 227.710 3.537 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1F ZINC000393664783 711168123 /nfs/dbraw/zinc/16/81/23/711168123.db2.gz FQDKBXKVHPJAMN-XICOKMJESA-N 1 0 227.710 3.537 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000393668486 323379056 /nfs/dbraw/zinc/37/90/56/323379056.db2.gz HVKSJXSNJMWKSR-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000393668488 323379014 /nfs/dbraw/zinc/37/90/14/323379014.db2.gz HVKSJXSNJMWKSR-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000393668489 323379205 /nfs/dbraw/zinc/37/92/05/323379205.db2.gz HVKSJXSNJMWKSR-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000393668491 323379181 /nfs/dbraw/zinc/37/91/81/323379181.db2.gz HVKSJXSNJMWKSR-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1ccsc1 ZINC000393677514 487576701 /nfs/dbraw/zinc/57/67/01/487576701.db2.gz HQPPIQOUTXGEGE-DOGVGXBMSA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1ccsc1 ZINC000393677515 487576862 /nfs/dbraw/zinc/57/68/62/487576862.db2.gz HQPPIQOUTXGEGE-SGUJLRQBSA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1ccsc1 ZINC000393677516 487576726 /nfs/dbraw/zinc/57/67/26/487576726.db2.gz HQPPIQOUTXGEGE-WYGGZMRJSA-N 1 0 209.358 3.755 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1ccsc1 ZINC000393677517 487576879 /nfs/dbraw/zinc/57/68/79/487576879.db2.gz HQPPIQOUTXGEGE-ZWNMCFTASA-N 1 0 209.358 3.755 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000393678591 632980589 /nfs/dbraw/zinc/98/05/89/632980589.db2.gz YOVRJQCEMWEUHI-GUTXKFCHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000393678592 583959146 /nfs/dbraw/zinc/95/91/46/583959146.db2.gz YOVRJQCEMWEUHI-GZBFAFLISA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C1CCCCC1 ZINC000393678593 583958949 /nfs/dbraw/zinc/95/89/49/583958949.db2.gz YOVRJQCEMWEUHI-KCQAQPDRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C1CCCCC1 ZINC000393678594 583959046 /nfs/dbraw/zinc/95/90/46/583959046.db2.gz YOVRJQCEMWEUHI-YDHLFZDLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCO1 ZINC000393678770 632980038 /nfs/dbraw/zinc/98/00/38/632980038.db2.gz YYFLKERTIVLIJJ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCO1 ZINC000393678771 583959254 /nfs/dbraw/zinc/95/92/54/583959254.db2.gz YYFLKERTIVLIJJ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCO1 ZINC000393678772 632981221 /nfs/dbraw/zinc/98/12/21/632981221.db2.gz YYFLKERTIVLIJJ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCO1 ZINC000393678773 583958918 /nfs/dbraw/zinc/95/89/18/583958918.db2.gz YYFLKERTIVLIJJ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000393682100 711169101 /nfs/dbraw/zinc/16/91/01/711169101.db2.gz IOQUMDODTSSWAV-SECBINFHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000393682102 711169117 /nfs/dbraw/zinc/16/91/17/711169117.db2.gz IOQUMDODTSSWAV-VIFPVBQESA-N 1 0 207.308 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000393684032 357292635 /nfs/dbraw/zinc/29/26/35/357292635.db2.gz TZBPPGDIEBCJFS-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000393684033 357292467 /nfs/dbraw/zinc/29/24/67/357292467.db2.gz TZBPPGDIEBCJFS-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000393684034 357292432 /nfs/dbraw/zinc/29/24/32/357292432.db2.gz TZBPPGDIEBCJFS-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000393684036 357292760 /nfs/dbraw/zinc/29/27/60/357292760.db2.gz TZBPPGDIEBCJFS-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)([NH2+]Cc1ccsc1Cl)C1CC1 ZINC000393688392 357292830 /nfs/dbraw/zinc/29/28/30/357292830.db2.gz JGCWQEYILSOIQM-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CCOCC(C)(C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000393693527 357293564 /nfs/dbraw/zinc/29/35/64/357293564.db2.gz KABPJGAOQCGDCN-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCOCC(C)(C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000393693528 357293452 /nfs/dbraw/zinc/29/34/52/357293452.db2.gz KABPJGAOQCGDCN-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CC(F)(F)CC[NH2+]CCC1CCCCC1 ZINC000393706249 357293398 /nfs/dbraw/zinc/29/33/98/357293398.db2.gz WPAKXFLLYRPVET-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+]CCC(C)(F)F)cc1C ZINC000393710492 357293283 /nfs/dbraw/zinc/29/32/83/357293283.db2.gz YXHIZNYYUFMQEW-UHFFFAOYSA-N 1 0 241.325 3.747 20 0 BHADRO CCC[N@@H+](Cc1cnc(Cl)s1)CC(C)C ZINC000393728834 711171718 /nfs/dbraw/zinc/17/17/18/711171718.db2.gz BMKVSMCYAZKSCD-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO CCSCC[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000393730858 343922081 /nfs/dbraw/zinc/92/20/81/343922081.db2.gz OZOLFSZWEPPBFJ-NEPJUHHUSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000393730859 343922243 /nfs/dbraw/zinc/92/22/43/343922243.db2.gz OZOLFSZWEPPBFJ-NWDGAFQWSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000393730860 343922315 /nfs/dbraw/zinc/92/23/15/343922315.db2.gz OZOLFSZWEPPBFJ-RYUDHWBXSA-N 1 0 231.449 3.790 20 0 BHADRO CCSCC[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000393730861 343922295 /nfs/dbraw/zinc/92/22/95/343922295.db2.gz OZOLFSZWEPPBFJ-VXGBXAGGSA-N 1 0 231.449 3.790 20 0 BHADRO Cc1cscc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000393734726 487578491 /nfs/dbraw/zinc/57/84/91/487578491.db2.gz FMOLNKNHPLGIJS-LLVKDONJSA-N 1 0 225.401 3.828 20 0 BHADRO Cc1cscc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000393734729 487579018 /nfs/dbraw/zinc/57/90/18/487579018.db2.gz FMOLNKNHPLGIJS-NSHDSACASA-N 1 0 225.401 3.828 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CCCCCC1 ZINC000393734957 323326465 /nfs/dbraw/zinc/32/64/65/323326465.db2.gz BVCAHVOAFBXFJY-GFCCVEGCSA-N 1 0 209.377 3.878 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CCCCCC1 ZINC000393734958 323326947 /nfs/dbraw/zinc/32/69/47/323326947.db2.gz BVCAHVOAFBXFJY-LBPRGKRZSA-N 1 0 209.377 3.878 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000393736037 710671039 /nfs/dbraw/zinc/67/10/39/710671039.db2.gz BNOCEGYNRJBBQR-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000393736041 710670032 /nfs/dbraw/zinc/67/00/32/710670032.db2.gz BNOCEGYNRJBBQR-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO Clc1ccsc1C[NH2+]C[C@H]1CC=CCC1 ZINC000393736980 388439803 /nfs/dbraw/zinc/43/98/03/388439803.db2.gz XLZHZRAEIPUJEE-JTQLQIEISA-N 1 0 241.787 3.847 20 0 BHADRO Clc1ccsc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000393736981 388440238 /nfs/dbraw/zinc/44/02/38/388440238.db2.gz XLZHZRAEIPUJEE-SNVBAGLBSA-N 1 0 241.787 3.847 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000393737990 323352421 /nfs/dbraw/zinc/35/24/21/323352421.db2.gz DKBBWYORSMZHFS-HZSPNIEDSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000393737992 323352426 /nfs/dbraw/zinc/35/24/26/323352426.db2.gz DKBBWYORSMZHFS-IHRRRGAJSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000393737994 323352414 /nfs/dbraw/zinc/35/24/14/323352414.db2.gz DKBBWYORSMZHFS-MELADBBJSA-N 1 0 217.356 3.610 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000393737996 262809602 /nfs/dbraw/zinc/80/96/02/262809602.db2.gz DKBBWYORSMZHFS-RDBSUJKOSA-N 1 0 217.356 3.610 20 0 BHADRO CCC(CC)(C[NH2+]C1CC2(CCC2)C1)SC ZINC000393739554 711676951 /nfs/dbraw/zinc/67/69/51/711676951.db2.gz FUPBGDVWPNCVDI-UHFFFAOYSA-N 1 0 241.444 3.831 20 0 BHADRO CCC(CC)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000393742270 259466080 /nfs/dbraw/zinc/46/60/80/259466080.db2.gz IBDMANMFOJADDI-UHFFFAOYSA-N 1 0 240.416 3.719 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000393746294 385206048 /nfs/dbraw/zinc/20/60/48/385206048.db2.gz MLGJWHUGIPWKHC-AGIUHOORSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000393746297 387939868 /nfs/dbraw/zinc/93/98/68/387939868.db2.gz MLGJWHUGIPWKHC-FRRDWIJNSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000393746300 387940060 /nfs/dbraw/zinc/94/00/60/387940060.db2.gz MLGJWHUGIPWKHC-JHJVBQTASA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000393746303 387939929 /nfs/dbraw/zinc/93/99/29/387939929.db2.gz MLGJWHUGIPWKHC-UPJWGTAASA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]CC1CCCCC1 ZINC000393746735 388440168 /nfs/dbraw/zinc/44/01/68/388440168.db2.gz NCYVADCNKHJCBJ-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]CC1CCCCC1 ZINC000393746738 388440310 /nfs/dbraw/zinc/44/03/10/388440310.db2.gz NCYVADCNKHJCBJ-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CCC1CC([NH2+]CCc2cccc(Cl)c2)C1 ZINC000393747624 387948296 /nfs/dbraw/zinc/94/82/96/387948296.db2.gz OCGQJCZPJKMRFD-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC000393748075 387948518 /nfs/dbraw/zinc/94/85/18/387948518.db2.gz RCYNQIVFCOBRGX-BZPMIXESSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)[C@H]1C ZINC000393748076 387947641 /nfs/dbraw/zinc/94/76/41/387947641.db2.gz RCYNQIVFCOBRGX-DYEKYZERSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)[C@H]1C ZINC000393748077 387947154 /nfs/dbraw/zinc/94/71/54/387947154.db2.gz RCYNQIVFCOBRGX-MBNYWOFBSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC000393748078 387947440 /nfs/dbraw/zinc/94/74/40/387947440.db2.gz RCYNQIVFCOBRGX-YRGRVCCFSA-N 1 0 207.361 3.511 20 0 BHADRO FCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000393748675 388440114 /nfs/dbraw/zinc/44/01/14/388440114.db2.gz MHKMIDSEJDCLSI-CYBMUJFWSA-N 1 0 241.737 3.740 20 0 BHADRO FCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000393748678 388440121 /nfs/dbraw/zinc/44/01/21/388440121.db2.gz MHKMIDSEJDCLSI-ZDUSSCGKSA-N 1 0 241.737 3.740 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC000393749612 385217478 /nfs/dbraw/zinc/21/74/78/385217478.db2.gz BBDXXGKUSZVMHT-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(F)(F)F ZINC000393749617 387952493 /nfs/dbraw/zinc/95/24/93/387952493.db2.gz BBDXXGKUSZVMHT-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC(F)(F)F ZINC000393749621 387953231 /nfs/dbraw/zinc/95/32/31/387953231.db2.gz BBDXXGKUSZVMHT-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC000393749626 388439630 /nfs/dbraw/zinc/43/96/30/388439630.db2.gz BBDXXGKUSZVMHT-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1(C2CC2)CC1 ZINC000393749944 357296727 /nfs/dbraw/zinc/29/67/27/357296727.db2.gz QJSJYVRIBNTJEV-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1(C2CC2)CC1 ZINC000393749945 357296476 /nfs/dbraw/zinc/29/64/76/357296476.db2.gz QJSJYVRIBNTJEV-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC3CCC2CC3)o1 ZINC000393751336 388440857 /nfs/dbraw/zinc/44/08/57/388440857.db2.gz OZJWBFPPXAILSM-CBINBANVSA-N 1 0 239.746 3.601 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)o1 ZINC000393751338 388441000 /nfs/dbraw/zinc/44/10/00/388441000.db2.gz OZJWBFPPXAILSM-RTYFJBAXSA-N 1 0 239.746 3.601 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C(C)(C)C(C)C)c1 ZINC000393752530 262812829 /nfs/dbraw/zinc/81/28/29/262812829.db2.gz FCLRJBMQCDPIAT-UHFFFAOYSA-N 1 0 223.335 3.658 20 0 BHADRO Cc1ccnc(N[C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000393752829 387059807 /nfs/dbraw/zinc/05/98/07/387059807.db2.gz TYNYQXCVCVFNEZ-VXGBXAGGSA-N 1 0 218.344 3.627 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000393754765 259471768 /nfs/dbraw/zinc/47/17/68/259471768.db2.gz VZDAQOQOVZXVLZ-KBPBESRZSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000393754766 259471764 /nfs/dbraw/zinc/47/17/64/259471764.db2.gz VZDAQOQOVZXVLZ-KGLIPLIRSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000393754768 259472001 /nfs/dbraw/zinc/47/20/01/259472001.db2.gz VZDAQOQOVZXVLZ-UONOGXRCSA-N 1 0 241.444 3.854 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000393754769 387099733 /nfs/dbraw/zinc/09/97/33/387099733.db2.gz VZDAQOQOVZXVLZ-ZIAGYGMSSA-N 1 0 241.444 3.854 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C(C)(C)C(F)F ZINC000393755827 711677659 /nfs/dbraw/zinc/67/76/59/711677659.db2.gz XBCNJFGNFHBNTO-ZETCQYMHSA-N 1 0 247.251 3.741 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000393756759 711677232 /nfs/dbraw/zinc/67/72/32/711677232.db2.gz ADLIOZCOKQSLSH-NEPJUHHUSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000393756762 711677510 /nfs/dbraw/zinc/67/75/10/711677510.db2.gz ADLIOZCOKQSLSH-NWDGAFQWSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000393756767 711677676 /nfs/dbraw/zinc/67/76/76/711677676.db2.gz ADLIOZCOKQSLSH-RYUDHWBXSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000393756770 711677320 /nfs/dbraw/zinc/67/73/20/711677320.db2.gz ADLIOZCOKQSLSH-VXGBXAGGSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cc(CC[NH2+][C@H](C)C2CC2)ccc1Cl ZINC000393757377 259711381 /nfs/dbraw/zinc/71/13/81/259711381.db2.gz YADJXQYLGHDZAH-LLVKDONJSA-N 1 0 237.774 3.579 20 0 BHADRO Cc1cc(CC[NH2+][C@@H](C)C2CC2)ccc1Cl ZINC000393757379 388440742 /nfs/dbraw/zinc/44/07/42/388440742.db2.gz YADJXQYLGHDZAH-NSHDSACASA-N 1 0 237.774 3.579 20 0 BHADRO CCC1CC([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000393757567 259710814 /nfs/dbraw/zinc/71/08/14/259710814.db2.gz APKXQITYVJEANI-UHFFFAOYSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000393759493 387162810 /nfs/dbraw/zinc/16/28/10/387162810.db2.gz VLKGHMKPELUTGG-HZSPNIEDSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000393759494 259472849 /nfs/dbraw/zinc/47/28/49/259472849.db2.gz VLKGHMKPELUTGG-MCIONIFRSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000393759496 259472827 /nfs/dbraw/zinc/47/28/27/259472827.db2.gz VLKGHMKPELUTGG-MGPQQGTHSA-N 1 0 221.388 3.735 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000393759497 259472583 /nfs/dbraw/zinc/47/25/83/259472583.db2.gz VLKGHMKPELUTGG-RDBSUJKOSA-N 1 0 221.388 3.735 20 0 BHADRO CC1(C[NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000393759944 357296077 /nfs/dbraw/zinc/29/60/77/357296077.db2.gz VNHVYBUTCKTZBO-UHFFFAOYSA-N 1 0 245.700 3.508 20 0 BHADRO CCSCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000393760214 387167148 /nfs/dbraw/zinc/16/71/48/387167148.db2.gz KPSOCZGEZDHBMQ-CYBMUJFWSA-N 1 0 237.412 3.523 20 0 BHADRO CCSCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000393760217 259472487 /nfs/dbraw/zinc/47/24/87/259472487.db2.gz KPSOCZGEZDHBMQ-ZDUSSCGKSA-N 1 0 237.412 3.523 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000393762086 388441009 /nfs/dbraw/zinc/44/10/09/388441009.db2.gz YAMRRFIOLISWRW-NEPJUHHUSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000393762089 388441242 /nfs/dbraw/zinc/44/12/42/388441242.db2.gz YAMRRFIOLISWRW-NWDGAFQWSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000393762092 259711629 /nfs/dbraw/zinc/71/16/29/259711629.db2.gz YAMRRFIOLISWRW-RYUDHWBXSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000393762095 385265431 /nfs/dbraw/zinc/26/54/31/385265431.db2.gz YAMRRFIOLISWRW-VXGBXAGGSA-N 1 0 227.367 3.683 20 0 BHADRO CCc1ccc([C@@H]([NH2+]CCF)C(C)C)cc1 ZINC000393762818 388441028 /nfs/dbraw/zinc/44/10/28/388441028.db2.gz NIOBFGGRNLRTFD-AWEZNQCLSA-N 1 0 223.335 3.505 20 0 BHADRO CCc1ccc([C@H]([NH2+]CCF)C(C)C)cc1 ZINC000393762819 388441258 /nfs/dbraw/zinc/44/12/58/388441258.db2.gz NIOBFGGRNLRTFD-CQSZACIVSA-N 1 0 223.335 3.505 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000393764050 357297946 /nfs/dbraw/zinc/29/79/46/357297946.db2.gz ZYQZXIFVMPTZQQ-BDAKNGLRSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)[C@H]1CC1(C)C ZINC000393764051 357297863 /nfs/dbraw/zinc/29/78/63/357297863.db2.gz ZYQZXIFVMPTZQQ-DTWKUNHWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000393764053 357297803 /nfs/dbraw/zinc/29/78/03/357297803.db2.gz ZYQZXIFVMPTZQQ-IUCAKERBSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)[C@H]1CC1(C)C ZINC000393764054 357297500 /nfs/dbraw/zinc/29/75/00/357297500.db2.gz ZYQZXIFVMPTZQQ-RKDXNWHRSA-N 1 0 237.309 3.599 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)o1 ZINC000393765014 487579958 /nfs/dbraw/zinc/57/99/58/487579958.db2.gz PENJAWDYDNJZAE-NEPJUHHUSA-N 1 0 239.746 3.601 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)o1 ZINC000393765016 487580456 /nfs/dbraw/zinc/58/04/56/487580456.db2.gz PENJAWDYDNJZAE-NWDGAFQWSA-N 1 0 239.746 3.601 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)o1 ZINC000393765017 487579967 /nfs/dbraw/zinc/57/99/67/487579967.db2.gz PENJAWDYDNJZAE-RYUDHWBXSA-N 1 0 239.746 3.601 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)o1 ZINC000393765018 487948555 /nfs/dbraw/zinc/94/85/55/487948555.db2.gz PENJAWDYDNJZAE-VXGBXAGGSA-N 1 0 239.746 3.601 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C(C)(C)C(F)F ZINC000393765142 582922998 /nfs/dbraw/zinc/92/29/98/582922998.db2.gz GGVQEVHLLAACNC-JTQLQIEISA-N 1 0 233.346 3.979 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C(C)(C)C(F)F ZINC000393765145 582922992 /nfs/dbraw/zinc/92/29/92/582922992.db2.gz GGVQEVHLLAACNC-SNVBAGLBSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)([NH2+]CCCCF)c1cccc(Cl)c1 ZINC000393766978 388440997 /nfs/dbraw/zinc/44/09/97/388440997.db2.gz DOUSHBMZWDZRML-UHFFFAOYSA-N 1 0 243.753 3.914 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CCCCC2)CCC1 ZINC000393770279 323387009 /nfs/dbraw/zinc/38/70/09/323387009.db2.gz AAZSWWGFTAUCHS-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000393771364 388441774 /nfs/dbraw/zinc/44/17/74/388441774.db2.gz GHXFEVGGCNRIQF-CRWXNKLISA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000393771366 388442041 /nfs/dbraw/zinc/44/20/41/388442041.db2.gz GHXFEVGGCNRIQF-MQYQWHSLSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000393771369 388441757 /nfs/dbraw/zinc/44/17/57/388441757.db2.gz GHXFEVGGCNRIQF-RFQIPJPRSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000393771371 388441945 /nfs/dbraw/zinc/44/19/45/388441945.db2.gz GHXFEVGGCNRIQF-YIYPIFLZSA-N 1 0 241.444 3.544 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC23CCC3)CCCCC1 ZINC000393772422 388441996 /nfs/dbraw/zinc/44/19/96/388441996.db2.gz UWCHJXOCPMESOS-CYBMUJFWSA-N 1 0 221.388 3.879 20 0 BHADRO CC1(C[NH2+][C@H]2CCC23CCC3)CCCCC1 ZINC000393772432 259711645 /nfs/dbraw/zinc/71/16/45/259711645.db2.gz UWCHJXOCPMESOS-ZDUSSCGKSA-N 1 0 221.388 3.879 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)C(C)(C)C ZINC000393772753 387301323 /nfs/dbraw/zinc/30/13/23/387301323.db2.gz BZNCHJOWBUGRDM-FRRDWIJNSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)(C)C ZINC000393772755 259479654 /nfs/dbraw/zinc/47/96/54/259479654.db2.gz BZNCHJOWBUGRDM-JHJVBQTASA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)C(C)(C)C ZINC000393772758 388441847 /nfs/dbraw/zinc/44/18/47/388441847.db2.gz BZNCHJOWBUGRDM-RWMBFGLXSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)C(C)(C)C ZINC000393772759 388441835 /nfs/dbraw/zinc/44/18/35/388441835.db2.gz BZNCHJOWBUGRDM-YNEHKIRRSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000393773125 387303857 /nfs/dbraw/zinc/30/38/57/387303857.db2.gz VLROTZVRQNWOEA-UHFFFAOYSA-N 1 0 240.416 3.576 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)s1 ZINC000393773642 582923419 /nfs/dbraw/zinc/92/34/19/582923419.db2.gz KWIMLOYEVRMDSA-JBLDHEPKSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)s1 ZINC000393773644 582923806 /nfs/dbraw/zinc/92/38/06/582923806.db2.gz KWIMLOYEVRMDSA-JFGNBEQYSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)s1 ZINC000393773646 636624492 /nfs/dbraw/zinc/62/44/92/636624492.db2.gz KWIMLOYEVRMDSA-NHCYSSNCSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)s1 ZINC000393773649 582923597 /nfs/dbraw/zinc/92/35/97/582923597.db2.gz KWIMLOYEVRMDSA-SCVCMEIPSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC2CC(C)(C)C2)s1 ZINC000393774901 711677853 /nfs/dbraw/zinc/67/78/53/711677853.db2.gz WVEKNRHAKBJPBX-SECBINFHSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC2CC(C)(C)C2)s1 ZINC000393774903 711677930 /nfs/dbraw/zinc/67/79/30/711677930.db2.gz WVEKNRHAKBJPBX-VIFPVBQESA-N 1 0 238.400 3.538 20 0 BHADRO CC(C)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000393775686 387307682 /nfs/dbraw/zinc/30/76/82/387307682.db2.gz KHCGYSPPUUQWGY-UHFFFAOYSA-N 1 0 237.774 3.803 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cccc(F)c1 ZINC000393775922 259712239 /nfs/dbraw/zinc/71/22/39/259712239.db2.gz FOOVDHNWKIEEGU-UHFFFAOYSA-N 1 0 223.335 3.740 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)s1 ZINC000393776745 357298698 /nfs/dbraw/zinc/29/86/98/357298698.db2.gz LITWUHQMBHRNDV-JTQLQIEISA-N 1 0 235.396 3.904 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)s1 ZINC000393776748 357298618 /nfs/dbraw/zinc/29/86/18/357298618.db2.gz LITWUHQMBHRNDV-SNVBAGLBSA-N 1 0 235.396 3.904 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000393777006 388442211 /nfs/dbraw/zinc/44/22/11/388442211.db2.gz GLSXGHGFIYORRX-GMTAPVOTSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000393777007 259712229 /nfs/dbraw/zinc/71/22/29/259712229.db2.gz GLSXGHGFIYORRX-MXWKQRLJSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000393777009 388441866 /nfs/dbraw/zinc/44/18/66/388441866.db2.gz GLSXGHGFIYORRX-OUAUKWLOSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000393777012 259712351 /nfs/dbraw/zinc/71/23/51/259712351.db2.gz GLSXGHGFIYORRX-VWYCJHECSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)C1CCSCC1 ZINC000393777177 387314150 /nfs/dbraw/zinc/31/41/50/387314150.db2.gz OAHVGVMTTGQHDA-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)C1CCSCC1 ZINC000393777178 387313142 /nfs/dbraw/zinc/31/31/42/387313142.db2.gz OAHVGVMTTGQHDA-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000393777191 387314330 /nfs/dbraw/zinc/31/43/30/387314330.db2.gz YQDQDSCEAGBHJM-GZTOBOFZSA-N 1 0 237.309 3.909 20 0 BHADRO CC/C=C\CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000393777192 387313091 /nfs/dbraw/zinc/31/30/91/387313091.db2.gz YQDQDSCEAGBHJM-ISALQUGTSA-N 1 0 237.309 3.909 20 0 BHADRO CC/C=C/CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000393777193 259481635 /nfs/dbraw/zinc/48/16/35/259481635.db2.gz YQDQDSCEAGBHJM-MVIFTORASA-N 1 0 237.309 3.909 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000393777194 387314341 /nfs/dbraw/zinc/31/43/41/387314341.db2.gz YQDQDSCEAGBHJM-QRGHLMKCSA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CS1 ZINC000393780115 388442240 /nfs/dbraw/zinc/44/22/40/388442240.db2.gz QMXXJJVKPNMJPC-KBPBESRZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CS1 ZINC000393780117 387344497 /nfs/dbraw/zinc/34/44/97/387344497.db2.gz QMXXJJVKPNMJPC-KGLIPLIRSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CCC2CCCC2)CS1 ZINC000393780119 387345131 /nfs/dbraw/zinc/34/51/31/387345131.db2.gz QMXXJJVKPNMJPC-UONOGXRCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CS1 ZINC000393780121 259482852 /nfs/dbraw/zinc/48/28/52/259482852.db2.gz QMXXJJVKPNMJPC-ZIAGYGMSSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000393780641 582924521 /nfs/dbraw/zinc/92/45/21/582924521.db2.gz ONFHBYLSPSLODM-GHMZBOCLSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000393780642 582924534 /nfs/dbraw/zinc/92/45/34/582924534.db2.gz ONFHBYLSPSLODM-MNOVXSKESA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000393780643 582924527 /nfs/dbraw/zinc/92/45/27/582924527.db2.gz ONFHBYLSPSLODM-QWRGUYRKSA-N 1 0 241.762 3.847 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000393780645 582924142 /nfs/dbraw/zinc/92/41/42/582924142.db2.gz ONFHBYLSPSLODM-WDEREUQCSA-N 1 0 241.762 3.847 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2occc2c1 ZINC000393780657 387346781 /nfs/dbraw/zinc/34/67/81/387346781.db2.gz OPDAFJJDKQGSJR-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000393781513 582924554 /nfs/dbraw/zinc/92/45/54/582924554.db2.gz SCSGOKRHKSBXHD-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000393781516 582924577 /nfs/dbraw/zinc/92/45/77/582924577.db2.gz SCSGOKRHKSBXHD-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000393781520 582924273 /nfs/dbraw/zinc/92/42/73/582924273.db2.gz SCSGOKRHKSBXHD-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000393781523 582924441 /nfs/dbraw/zinc/92/44/41/582924441.db2.gz SCSGOKRHKSBXHD-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000393781795 259712616 /nfs/dbraw/zinc/71/26/16/259712616.db2.gz PSANJFJXUREAPL-JHJVBQTASA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000393781796 388442381 /nfs/dbraw/zinc/44/23/81/388442381.db2.gz PSANJFJXUREAPL-UPJWGTAASA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000393781797 388442189 /nfs/dbraw/zinc/44/21/89/388442189.db2.gz PSANJFJXUREAPL-XQQFMLRXSA-N 1 0 241.444 3.829 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000393781798 388442060 /nfs/dbraw/zinc/44/20/60/388442060.db2.gz PSANJFJXUREAPL-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCF)c1 ZINC000393781839 323013246 /nfs/dbraw/zinc/01/32/46/323013246.db2.gz PYRYGSPTOLEKTF-CYBMUJFWSA-N 1 0 223.335 3.704 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1c(F)cccc1Cl ZINC000393782420 711678691 /nfs/dbraw/zinc/67/86/91/711678691.db2.gz TZAXVCQMLJQCHT-AUTRQRHGSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1c(F)cccc1Cl ZINC000393782422 711678699 /nfs/dbraw/zinc/67/86/99/711678699.db2.gz TZAXVCQMLJQCHT-HOTUBEGUSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1c(F)cccc1Cl ZINC000393782423 710683469 /nfs/dbraw/zinc/68/34/69/710683469.db2.gz TZAXVCQMLJQCHT-PTRXPTGYSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1c(F)cccc1Cl ZINC000393782424 710683810 /nfs/dbraw/zinc/68/38/10/710683810.db2.gz TZAXVCQMLJQCHT-VDDIYKPWSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1cc(F)c(F)c(F)c1 ZINC000393782657 711174117 /nfs/dbraw/zinc/17/41/17/711174117.db2.gz QRZVNMBZSCZFQK-AIYRYJHASA-N 1 0 249.663 3.507 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1cc(F)c(F)c(F)c1 ZINC000393782659 711173866 /nfs/dbraw/zinc/17/38/66/711173866.db2.gz QRZVNMBZSCZFQK-SKRYNEFJSA-N 1 0 249.663 3.507 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1cc(F)c(F)c(F)c1 ZINC000393782661 711678282 /nfs/dbraw/zinc/67/82/82/711678282.db2.gz QRZVNMBZSCZFQK-TYWZFMJISA-N 1 0 249.663 3.507 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1cc(F)c(F)c(F)c1 ZINC000393782664 711173869 /nfs/dbraw/zinc/17/38/69/711173869.db2.gz QRZVNMBZSCZFQK-XDVGHUOJSA-N 1 0 249.663 3.507 20 0 BHADRO CC[C@](C)([NH2+]CC1CCC1)c1ccccc1 ZINC000393782666 711173383 /nfs/dbraw/zinc/17/33/83/711173383.db2.gz QRZWUEOUVWEVNE-HNNXBMFYSA-N 1 0 217.356 3.702 20 0 BHADRO CC[C@@](C)([NH2+]CC1CCC1)c1ccccc1 ZINC000393782668 711678132 /nfs/dbraw/zinc/67/81/32/711678132.db2.gz QRZWUEOUVWEVNE-OAHLLOKOSA-N 1 0 217.356 3.702 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)C1CCC1 ZINC000393783018 388442348 /nfs/dbraw/zinc/44/23/48/388442348.db2.gz WQHHQAQGPMGWLK-GFCCVEGCSA-N 1 0 207.361 3.655 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)C1CCC1 ZINC000393783019 388441687 /nfs/dbraw/zinc/44/16/87/388441687.db2.gz WQHHQAQGPMGWLK-LBPRGKRZSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000393783802 582924526 /nfs/dbraw/zinc/92/45/26/582924526.db2.gz RZYSHIZPJGVZIJ-KPPDAEKUSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000393783805 582924585 /nfs/dbraw/zinc/92/45/85/582924585.db2.gz RZYSHIZPJGVZIJ-WHXUTIOJSA-N 1 0 237.309 3.742 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccoc1C ZINC000393783894 582924114 /nfs/dbraw/zinc/92/41/14/582924114.db2.gz SCAOWOHQCMSNSQ-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccoc1C ZINC000393783896 582924098 /nfs/dbraw/zinc/92/40/98/582924098.db2.gz SCAOWOHQCMSNSQ-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000393785461 259712336 /nfs/dbraw/zinc/71/23/36/259712336.db2.gz XGHRWJILDMZNER-GXTWGEPZSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000393785464 345306610 /nfs/dbraw/zinc/30/66/10/345306610.db2.gz XGHRWJILDMZNER-JSGCOSHPSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000393785466 387937057 /nfs/dbraw/zinc/93/70/57/387937057.db2.gz XGHRWJILDMZNER-OCCSQVGLSA-N 1 0 235.396 3.557 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000393785467 387937839 /nfs/dbraw/zinc/93/78/39/387937839.db2.gz XGHRWJILDMZNER-TZMCWYRMSA-N 1 0 235.396 3.557 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000393787133 711174967 /nfs/dbraw/zinc/17/49/67/711174967.db2.gz YWXOXOVEMHPJTP-LLVKDONJSA-N 1 0 238.762 3.502 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000393787136 711678573 /nfs/dbraw/zinc/67/85/73/711678573.db2.gz YWXOXOVEMHPJTP-NSHDSACASA-N 1 0 238.762 3.502 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000393787218 387157908 /nfs/dbraw/zinc/15/79/08/387157908.db2.gz WALFKKCLIBOWNI-CHWSQXEVSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000393787219 387158183 /nfs/dbraw/zinc/15/81/83/387158183.db2.gz WALFKKCLIBOWNI-OLZOCXBDSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000393787220 259492414 /nfs/dbraw/zinc/49/24/14/259492414.db2.gz WALFKKCLIBOWNI-QWHCGFSZSA-N 1 0 217.356 3.753 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000393787221 387158265 /nfs/dbraw/zinc/15/82/65/387158265.db2.gz WALFKKCLIBOWNI-STQMWFEESA-N 1 0 217.356 3.753 20 0 BHADRO CC(C)=CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000393787643 259356565 /nfs/dbraw/zinc/35/65/65/259356565.db2.gz WLDUQQJGCFESQZ-UHFFFAOYSA-N 1 0 221.388 3.901 20 0 BHADRO CCSCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000393790793 385600731 /nfs/dbraw/zinc/60/07/31/385600731.db2.gz YQYTXDMCWBFIDU-CYBMUJFWSA-N 1 0 237.412 3.707 20 0 BHADRO CCSCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000393790801 388443217 /nfs/dbraw/zinc/44/32/17/388443217.db2.gz YQYTXDMCWBFIDU-ZDUSSCGKSA-N 1 0 237.412 3.707 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000393791886 262750269 /nfs/dbraw/zinc/75/02/69/262750269.db2.gz ZVZFPMRPBPXSNV-CABCVRRESA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000393791887 262750254 /nfs/dbraw/zinc/75/02/54/262750254.db2.gz ZVZFPMRPBPXSNV-GJZGRUSLSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000393791888 385697542 /nfs/dbraw/zinc/69/75/42/385697542.db2.gz ZVZFPMRPBPXSNV-HUUCEWRRSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000393791891 398191852 /nfs/dbraw/zinc/19/18/52/398191852.db2.gz ZVZFPMRPBPXSNV-LSDHHAIUSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000393795394 357299329 /nfs/dbraw/zinc/29/93/29/357299329.db2.gz IMSGXGCXMNUZNQ-MWODSPESSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000393795398 357299603 /nfs/dbraw/zinc/29/96/03/357299603.db2.gz IMSGXGCXMNUZNQ-RVBZMBCESA-N 1 0 241.737 3.928 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1scnc1C1CC1 ZINC000393795622 582925198 /nfs/dbraw/zinc/92/51/98/582925198.db2.gz IBAGHMRJHMQBIK-LLVKDONJSA-N 1 0 238.400 3.689 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1scnc1C1CC1 ZINC000393795623 582925265 /nfs/dbraw/zinc/92/52/65/582925265.db2.gz IBAGHMRJHMQBIK-NSHDSACASA-N 1 0 238.400 3.689 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000393795878 357300477 /nfs/dbraw/zinc/30/04/77/357300477.db2.gz IMSGXGCXMNUZNQ-VYUIOLGVSA-N 1 0 241.737 3.928 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000393795880 357300247 /nfs/dbraw/zinc/30/02/47/357300247.db2.gz IMSGXGCXMNUZNQ-ZDMBXUJBSA-N 1 0 241.737 3.928 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Cc1cccs1 ZINC000393796329 259712812 /nfs/dbraw/zinc/71/28/12/259712812.db2.gz JYYCKWYABCUQHE-BZPMIXESSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Cc1cccs1 ZINC000393796333 352469317 /nfs/dbraw/zinc/46/93/17/352469317.db2.gz JYYCKWYABCUQHE-OUCADQQQSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Cc1cccs1 ZINC000393796335 352469102 /nfs/dbraw/zinc/46/91/02/352469102.db2.gz JYYCKWYABCUQHE-SCRDCRAPSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Cc1cccs1 ZINC000393796339 352470053 /nfs/dbraw/zinc/47/00/53/352470053.db2.gz JYYCKWYABCUQHE-YRGRVCCFSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCS[C@H]2C)C1 ZINC000393797257 582924962 /nfs/dbraw/zinc/92/49/62/582924962.db2.gz PVCDSXVLRNESSB-CRWXNKLISA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCS[C@@H]2C)C1 ZINC000393797259 582925377 /nfs/dbraw/zinc/92/53/77/582925377.db2.gz PVCDSXVLRNESSB-MQYQWHSLSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCS[C@H]2C)C1 ZINC000393797261 582924830 /nfs/dbraw/zinc/92/48/30/582924830.db2.gz PVCDSXVLRNESSB-RFQIPJPRSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)C1 ZINC000393797263 582924878 /nfs/dbraw/zinc/92/48/78/582924878.db2.gz PVCDSXVLRNESSB-YIYPIFLZSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(Cl)o1 ZINC000393797488 582925050 /nfs/dbraw/zinc/92/50/50/582925050.db2.gz LPOAIQUDXGGEQZ-JTQLQIEISA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(Cl)o1 ZINC000393797490 582925223 /nfs/dbraw/zinc/92/52/23/582925223.db2.gz LPOAIQUDXGGEQZ-SNVBAGLBSA-N 1 0 241.762 3.991 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc2c(s1)CCC2 ZINC000393798785 388361423 /nfs/dbraw/zinc/36/14/23/388361423.db2.gz LGJQCDGXISJVRR-JBLDHEPKSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc2c(s1)CCC2 ZINC000393798789 388363724 /nfs/dbraw/zinc/36/37/24/388363724.db2.gz LGJQCDGXISJVRR-JFGNBEQYSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc2c(s1)CCC2 ZINC000393798793 388363361 /nfs/dbraw/zinc/36/33/61/388363361.db2.gz LGJQCDGXISJVRR-NHCYSSNCSA-N 1 0 235.396 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc2c(s1)CCC2 ZINC000393798796 388363522 /nfs/dbraw/zinc/36/35/22/388363522.db2.gz LGJQCDGXISJVRR-SCVCMEIPSA-N 1 0 235.396 3.686 20 0 BHADRO CCC1CC([NH2+][C@@H](C)Cc2ccc(C)s2)C1 ZINC000393798902 388364414 /nfs/dbraw/zinc/36/44/14/388364414.db2.gz LKDPUYJNUHVQBA-PKSQDBQZSA-N 1 0 237.412 3.766 20 0 BHADRO CCC1CC([NH2+][C@H](C)Cc2ccc(C)s2)C1 ZINC000393798904 388364039 /nfs/dbraw/zinc/36/40/39/388364039.db2.gz LKDPUYJNUHVQBA-QFWMXSHPSA-N 1 0 237.412 3.766 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccnc(Cl)c1 ZINC000393800303 711678925 /nfs/dbraw/zinc/67/89/25/711678925.db2.gz MBBJICZBUDYRPX-SECBINFHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccnc(Cl)c1 ZINC000393800304 711678950 /nfs/dbraw/zinc/67/89/50/711678950.db2.gz MBBJICZBUDYRPX-VIFPVBQESA-N 1 0 238.762 3.574 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000393800719 388405906 /nfs/dbraw/zinc/40/59/06/388405906.db2.gz LRKFCSWJPORIOW-KBPBESRZSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000393800722 388405909 /nfs/dbraw/zinc/40/59/09/388405909.db2.gz LRKFCSWJPORIOW-KGLIPLIRSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000393800725 388406049 /nfs/dbraw/zinc/40/60/49/388406049.db2.gz LRKFCSWJPORIOW-UONOGXRCSA-N 1 0 219.372 3.999 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000393800727 259689005 /nfs/dbraw/zinc/68/90/05/259689005.db2.gz LRKFCSWJPORIOW-ZIAGYGMSSA-N 1 0 219.372 3.999 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000393803143 363062413 /nfs/dbraw/zinc/06/24/13/363062413.db2.gz OKYITJKLVGPYRN-AWEZNQCLSA-N 1 0 227.392 3.528 20 0 BHADRO CCOCCCC[NH2+][C@H](C)CCC=C(C)C ZINC000393803145 388423400 /nfs/dbraw/zinc/42/34/00/388423400.db2.gz OKYITJKLVGPYRN-CQSZACIVSA-N 1 0 227.392 3.528 20 0 BHADRO CC(C)C1CC([NH2+]CC2(C3CC3)CCC2)C1 ZINC000393804019 347341190 /nfs/dbraw/zinc/34/11/90/347341190.db2.gz VJRAOOAWXPIVRS-UHFFFAOYSA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000393804272 357300599 /nfs/dbraw/zinc/30/05/99/357300599.db2.gz PEHKLTLHSMTDAN-CHWSQXEVSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000393804274 357300085 /nfs/dbraw/zinc/30/00/85/357300085.db2.gz PEHKLTLHSMTDAN-OLZOCXBDSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000393804277 357300584 /nfs/dbraw/zinc/30/05/84/357300584.db2.gz PEHKLTLHSMTDAN-QWHCGFSZSA-N 1 0 221.388 3.735 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000393804279 357300642 /nfs/dbraw/zinc/30/06/42/357300642.db2.gz PEHKLTLHSMTDAN-STQMWFEESA-N 1 0 221.388 3.735 20 0 BHADRO CCCCCC[NH2+]C1(c2ccccc2)CC1 ZINC000393804742 711176021 /nfs/dbraw/zinc/17/60/21/711176021.db2.gz OKIDWBAEJKDAKD-UHFFFAOYSA-N 1 0 217.356 3.846 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000393805896 388443237 /nfs/dbraw/zinc/44/32/37/388443237.db2.gz WOJPBRZXAPDNSG-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000393805898 259387760 /nfs/dbraw/zinc/38/77/60/259387760.db2.gz WOJPBRZXAPDNSG-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C([NH2+]C1CCC2(CC2)CC1)C1CCCCC1 ZINC000393807828 259387985 /nfs/dbraw/zinc/38/79/85/259387985.db2.gz QEWASQSWRBVUPP-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO C[C@H]([NH2+]C1(C(F)F)CC1)C1CCCCCC1 ZINC000393808927 259388707 /nfs/dbraw/zinc/38/87/07/259388707.db2.gz RCDYLEBVYXNZAM-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C(F)F)CC1)C1CCCCCC1 ZINC000393808929 259388906 /nfs/dbraw/zinc/38/89/06/259388906.db2.gz RCDYLEBVYXNZAM-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1Cl ZINC000393810525 259389786 /nfs/dbraw/zinc/38/97/86/259389786.db2.gz UQNXVSQNPOKBAI-AXFHLTTASA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccccc1Cl ZINC000393810526 259389778 /nfs/dbraw/zinc/38/97/78/259389778.db2.gz UQNXVSQNPOKBAI-DCAQKATOSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1Cl ZINC000393810527 259389724 /nfs/dbraw/zinc/38/97/24/259389724.db2.gz UQNXVSQNPOKBAI-GARJFASQSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1Cl ZINC000393810528 259389801 /nfs/dbraw/zinc/38/98/01/259389801.db2.gz UQNXVSQNPOKBAI-HBNTYKKESA-N 1 0 241.737 3.881 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCC1(C)C ZINC000393810993 711176349 /nfs/dbraw/zinc/17/63/49/711176349.db2.gz VKOSKDNUIKKQGC-AAEUAGOBSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC1(C)C ZINC000393810994 711175979 /nfs/dbraw/zinc/17/59/79/711175979.db2.gz VKOSKDNUIKKQGC-DGCLKSJQSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC1(C)C ZINC000393810995 711176400 /nfs/dbraw/zinc/17/64/00/711176400.db2.gz VKOSKDNUIKKQGC-WCQYABFASA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC1(C)C ZINC000393810996 710762336 /nfs/dbraw/zinc/76/23/36/710762336.db2.gz VKOSKDNUIKKQGC-YPMHNXCESA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccsc1 ZINC000393811724 259390217 /nfs/dbraw/zinc/39/02/17/259390217.db2.gz WSJONRZFAOTIMF-CHWSQXEVSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000393811725 259390129 /nfs/dbraw/zinc/39/01/29/259390129.db2.gz WSJONRZFAOTIMF-OLZOCXBDSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1ccsc1 ZINC000393811726 259390203 /nfs/dbraw/zinc/39/02/03/259390203.db2.gz WSJONRZFAOTIMF-QWHCGFSZSA-N 1 0 237.412 3.705 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000393811727 259390344 /nfs/dbraw/zinc/39/03/44/259390344.db2.gz WSJONRZFAOTIMF-STQMWFEESA-N 1 0 237.412 3.705 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)CCC1 ZINC000393812293 259390300 /nfs/dbraw/zinc/39/03/00/259390300.db2.gz YAXINTKTZKTATD-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC[C@@H]2C(C)C)CCC1 ZINC000393812409 259390455 /nfs/dbraw/zinc/39/04/55/259390455.db2.gz YAXINTKTZKTATD-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCC[C@H]2C(C)C)CCC1 ZINC000393812410 259390410 /nfs/dbraw/zinc/39/04/10/259390410.db2.gz YAXINTKTZKTATD-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1(C[NH2+][C@H]2CCC[C@H]2C(C)C)CCC1 ZINC000393812411 259390393 /nfs/dbraw/zinc/39/03/93/259390393.db2.gz YAXINTKTZKTATD-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000393813476 262740671 /nfs/dbraw/zinc/74/06/71/262740671.db2.gz ZXNRDJTUIMNQAP-BFHYXJOUSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000393813477 385342856 /nfs/dbraw/zinc/34/28/56/385342856.db2.gz ZXNRDJTUIMNQAP-IHRRRGAJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000393813478 385343451 /nfs/dbraw/zinc/34/34/51/385343451.db2.gz ZXNRDJTUIMNQAP-MELADBBJSA-N 1 0 221.388 3.733 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000393813479 262740668 /nfs/dbraw/zinc/74/06/68/262740668.db2.gz ZXNRDJTUIMNQAP-MJBXVCDLSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)Cc1cccc([C@@H](C)[NH2+]C2CC2)c1 ZINC000393820903 259713508 /nfs/dbraw/zinc/71/35/08/259713508.db2.gz KLZZVYSQEPIIOM-GFCCVEGCSA-N 1 0 217.356 3.698 20 0 BHADRO CC(C)Cc1cccc([C@H](C)[NH2+]C2CC2)c1 ZINC000393820905 388444007 /nfs/dbraw/zinc/44/40/07/388444007.db2.gz KLZZVYSQEPIIOM-LBPRGKRZSA-N 1 0 217.356 3.698 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000393825936 357302587 /nfs/dbraw/zinc/30/25/87/357302587.db2.gz FGHJPDWFDKKZDF-GFCCVEGCSA-N 1 0 239.309 3.902 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000393825938 357302358 /nfs/dbraw/zinc/30/23/58/357302358.db2.gz FGHJPDWFDKKZDF-LBPRGKRZSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C[C@H](C)O1 ZINC000393827108 357301981 /nfs/dbraw/zinc/30/19/81/357301981.db2.gz GKNPFGYUBPPJLY-CLLJXQQHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000393830060 259357298 /nfs/dbraw/zinc/35/72/98/259357298.db2.gz VCMFOASHBZKWKB-HDJSIYSDSA-N 1 0 217.356 3.568 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000393830470 388443708 /nfs/dbraw/zinc/44/37/08/388443708.db2.gz LQDTZVSOLLRYMX-HLPPOEQASA-N 1 0 231.383 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000393830472 388443627 /nfs/dbraw/zinc/44/36/27/388443627.db2.gz LQDTZVSOLLRYMX-ORIJERBGSA-N 1 0 231.383 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000393830473 388443743 /nfs/dbraw/zinc/44/37/43/388443743.db2.gz LQDTZVSOLLRYMX-RZLSGREXSA-N 1 0 231.383 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000393830476 259713749 /nfs/dbraw/zinc/71/37/49/259713749.db2.gz LQDTZVSOLLRYMX-TTZDDIAXSA-N 1 0 231.383 3.560 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1nc2ccccc2s1 ZINC000393833439 711177459 /nfs/dbraw/zinc/17/74/59/711177459.db2.gz OCDGYYWEMLHZQF-DCAQKATOSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1nc2ccccc2s1 ZINC000393833440 711177210 /nfs/dbraw/zinc/17/72/10/711177210.db2.gz OCDGYYWEMLHZQF-GARJFASQSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1nc2ccccc2s1 ZINC000393833441 711177177 /nfs/dbraw/zinc/17/71/77/711177177.db2.gz OCDGYYWEMLHZQF-OUAUKWLOSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1nc2ccccc2s1 ZINC000393833442 711176792 /nfs/dbraw/zinc/17/67/92/711176792.db2.gz OCDGYYWEMLHZQF-VWYCJHECSA-N 1 0 246.379 3.745 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CSC2(C)C)cs1 ZINC000393842772 259399016 /nfs/dbraw/zinc/39/90/16/259399016.db2.gz AFHPYCBMBLKOHR-GXSJLCMTSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CSC2(C)C)cs1 ZINC000393842784 259399080 /nfs/dbraw/zinc/39/90/80/259399080.db2.gz AFHPYCBMBLKOHR-KOLCDFICSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cs1 ZINC000393842788 259398847 /nfs/dbraw/zinc/39/88/47/259398847.db2.gz AFHPYCBMBLKOHR-MWLCHTKSSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CSC2(C)C)cs1 ZINC000393842792 259399237 /nfs/dbraw/zinc/39/92/37/259399237.db2.gz AFHPYCBMBLKOHR-ONGXEEELSA-N 1 0 241.425 3.601 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393845089 487585799 /nfs/dbraw/zinc/58/57/99/487585799.db2.gz COPAZGNCRQLPCI-AWEZNQCLSA-N 1 0 247.407 3.548 20 0 BHADRO CC1(C)SC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393845094 487586080 /nfs/dbraw/zinc/58/60/80/487586080.db2.gz COPAZGNCRQLPCI-CQSZACIVSA-N 1 0 247.407 3.548 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000393848831 385471888 /nfs/dbraw/zinc/47/18/88/385471888.db2.gz IMUXXRYBWSQRQJ-KBPBESRZSA-N 1 0 247.407 3.621 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000393848832 259399973 /nfs/dbraw/zinc/39/99/73/259399973.db2.gz IMUXXRYBWSQRQJ-KGLIPLIRSA-N 1 0 247.407 3.621 20 0 BHADRO CC1(C)SC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000393848833 259399998 /nfs/dbraw/zinc/39/99/98/259399998.db2.gz IMUXXRYBWSQRQJ-UONOGXRCSA-N 1 0 247.407 3.621 20 0 BHADRO CC1(C)SC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000393848834 385471209 /nfs/dbraw/zinc/47/12/09/385471209.db2.gz IMUXXRYBWSQRQJ-ZIAGYGMSSA-N 1 0 247.407 3.621 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000393849013 259399969 /nfs/dbraw/zinc/39/99/69/259399969.db2.gz PCJKVAKFWMPBIA-NRXISQOPSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000393849016 259399999 /nfs/dbraw/zinc/39/99/99/259399999.db2.gz PCJKVAKFWMPBIA-YMAMQOFZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000393849017 385468954 /nfs/dbraw/zinc/46/89/54/385468954.db2.gz CXXNBLFACMQILF-JPUFDJIESA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000393849020 388443947 /nfs/dbraw/zinc/44/39/47/388443947.db2.gz CXXNBLFACMQILF-JZURETHJSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000393849022 388444047 /nfs/dbraw/zinc/44/40/47/388444047.db2.gz CXXNBLFACMQILF-PWVHCVSASA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000393849026 388444232 /nfs/dbraw/zinc/44/42/32/388444232.db2.gz CXXNBLFACMQILF-WPSFFTEHSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)c(C)c1 ZINC000393849274 357303552 /nfs/dbraw/zinc/30/35/52/357303552.db2.gz DCGCBJWLJPVOEY-GXTWGEPZSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)c(C)c1 ZINC000393849275 357303076 /nfs/dbraw/zinc/30/30/76/357303076.db2.gz DCGCBJWLJPVOEY-JSGCOSHPSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)c(C)c1 ZINC000393849276 357303147 /nfs/dbraw/zinc/30/31/47/357303147.db2.gz DCGCBJWLJPVOEY-OCCSQVGLSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c(C)c1 ZINC000393849277 357303562 /nfs/dbraw/zinc/30/35/62/357303562.db2.gz DCGCBJWLJPVOEY-TZMCWYRMSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393853538 410762956 /nfs/dbraw/zinc/76/29/56/410762956.db2.gz PRCRWUBGUJQZED-ABAIWWIYSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393853540 410762883 /nfs/dbraw/zinc/76/28/83/410762883.db2.gz PRCRWUBGUJQZED-IAQYHMDHSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393853542 410764728 /nfs/dbraw/zinc/76/47/28/410764728.db2.gz PRCRWUBGUJQZED-NHYWBVRUSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000393853543 411127451 /nfs/dbraw/zinc/12/74/51/411127451.db2.gz PRCRWUBGUJQZED-XHDPSFHLSA-N 1 0 247.407 3.548 20 0 BHADRO Cc1ncccc1C[NH2+]C1CCCCCCC1 ZINC000393854261 711176848 /nfs/dbraw/zinc/17/68/48/711176848.db2.gz QPSYQBRNYZCCCZ-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000393859556 357303577 /nfs/dbraw/zinc/30/35/77/357303577.db2.gz DPVQIVFXXNXMIS-NWANDNLSSA-N 1 0 249.785 3.661 20 0 BHADRO COC1(CC[NH2+][C@@H]2CCCCC2(C)C)CCC1 ZINC000393861208 385900866 /nfs/dbraw/zinc/90/08/66/385900866.db2.gz HTRMVYYAKTWYIC-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(CC[NH2+][C@H]2CCCCC2(C)C)CCC1 ZINC000393861209 385900908 /nfs/dbraw/zinc/90/09/08/385900908.db2.gz HTRMVYYAKTWYIC-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)cc1C ZINC000393863570 357303040 /nfs/dbraw/zinc/30/30/40/357303040.db2.gz LTSDDRJEXIIKFT-GXTWGEPZSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)cc1C ZINC000393863573 357302939 /nfs/dbraw/zinc/30/29/39/357302939.db2.gz LTSDDRJEXIIKFT-JSGCOSHPSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)cc1C ZINC000393863575 357303336 /nfs/dbraw/zinc/30/33/36/357303336.db2.gz LTSDDRJEXIIKFT-OCCSQVGLSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cc1C ZINC000393863579 357303444 /nfs/dbraw/zinc/30/34/44/357303444.db2.gz LTSDDRJEXIIKFT-TZMCWYRMSA-N 1 0 249.423 3.848 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000393865653 357304336 /nfs/dbraw/zinc/30/43/36/357304336.db2.gz NXRPMQRKTCGLFR-KBPBESRZSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000393865655 357304422 /nfs/dbraw/zinc/30/44/22/357304422.db2.gz NXRPMQRKTCGLFR-KGLIPLIRSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000393865657 357304327 /nfs/dbraw/zinc/30/43/27/357304327.db2.gz NXRPMQRKTCGLFR-UONOGXRCSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000393865659 357303961 /nfs/dbraw/zinc/30/39/61/357303961.db2.gz NXRPMQRKTCGLFR-ZIAGYGMSSA-N 1 0 249.423 3.867 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000393868074 388445474 /nfs/dbraw/zinc/44/54/74/388445474.db2.gz SBFGUIXBSZUSPI-GXTWGEPZSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000393868076 388444761 /nfs/dbraw/zinc/44/47/61/388444761.db2.gz SBFGUIXBSZUSPI-JSGCOSHPSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000393868077 388444576 /nfs/dbraw/zinc/44/45/76/388444576.db2.gz SBFGUIXBSZUSPI-OCCSQVGLSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000393868079 388445422 /nfs/dbraw/zinc/44/54/22/388445422.db2.gz SBFGUIXBSZUSPI-TZMCWYRMSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)cc(F)c1 ZINC000393873454 259415991 /nfs/dbraw/zinc/41/59/91/259415991.db2.gz DHOMHXCFSVKNIU-NOZJJQNGSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)cc(F)c1 ZINC000393873456 259416125 /nfs/dbraw/zinc/41/61/25/259416125.db2.gz DHOMHXCFSVKNIU-RNCFNFMXSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)cc(F)c1 ZINC000393873458 385938617 /nfs/dbraw/zinc/93/86/17/385938617.db2.gz DHOMHXCFSVKNIU-TVQRCGJNSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)cc(F)c1 ZINC000393873459 385939160 /nfs/dbraw/zinc/93/91/60/385939160.db2.gz DHOMHXCFSVKNIU-ZANVPECISA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000393876880 388445419 /nfs/dbraw/zinc/44/54/19/388445419.db2.gz YAGAJUWEZGDCMP-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000393876882 259714274 /nfs/dbraw/zinc/71/42/74/259714274.db2.gz YAGAJUWEZGDCMP-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000393876885 388445055 /nfs/dbraw/zinc/44/50/55/388445055.db2.gz YAGAJUWEZGDCMP-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000393876887 388445195 /nfs/dbraw/zinc/44/51/95/388445195.db2.gz YAGAJUWEZGDCMP-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccsc1 ZINC000393879463 388444890 /nfs/dbraw/zinc/44/48/90/388444890.db2.gz KPDFNSCJPJHGAH-GHMZBOCLSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccsc1 ZINC000393879464 388444930 /nfs/dbraw/zinc/44/49/30/388444930.db2.gz KPDFNSCJPJHGAH-MNOVXSKESA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC1(C)C)c1ccsc1 ZINC000393879465 259714214 /nfs/dbraw/zinc/71/42/14/259714214.db2.gz KPDFNSCJPJHGAH-QWRGUYRKSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccsc1 ZINC000393879467 388444555 /nfs/dbraw/zinc/44/45/55/388444555.db2.gz KPDFNSCJPJHGAH-WDEREUQCSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000393887061 357306315 /nfs/dbraw/zinc/30/63/15/357306315.db2.gz UGUQMAFCXMUPJL-GXTWGEPZSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000393887062 357305729 /nfs/dbraw/zinc/30/57/29/357305729.db2.gz UGUQMAFCXMUPJL-JSGCOSHPSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000393887063 357305798 /nfs/dbraw/zinc/30/57/98/357305798.db2.gz UGUQMAFCXMUPJL-OCCSQVGLSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000393887064 357306222 /nfs/dbraw/zinc/30/62/22/357306222.db2.gz UGUQMAFCXMUPJL-TZMCWYRMSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC1(C)C ZINC000393887661 350175511 /nfs/dbraw/zinc/17/55/11/350175511.db2.gz VQBOQQCAUCTYGQ-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC1(C)C ZINC000393887663 350175649 /nfs/dbraw/zinc/17/56/49/350175649.db2.gz VQBOQQCAUCTYGQ-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC1(C)C ZINC000393887665 323096257 /nfs/dbraw/zinc/09/62/57/323096257.db2.gz VQBOQQCAUCTYGQ-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC1(C)C ZINC000393887667 323096209 /nfs/dbraw/zinc/09/62/09/323096209.db2.gz VQBOQQCAUCTYGQ-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000393894904 344002440 /nfs/dbraw/zinc/00/24/40/344002440.db2.gz RAMGJZSMPVMICG-UHFFFAOYSA-N 1 0 241.325 3.881 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)CC1 ZINC000393900983 357306219 /nfs/dbraw/zinc/30/62/19/357306219.db2.gz FYJLQGQMKLPRKB-IHRRRGAJSA-N 1 0 221.388 3.878 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000393900984 357306296 /nfs/dbraw/zinc/30/62/96/357306296.db2.gz FYJLQGQMKLPRKB-MGPQQGTHSA-N 1 0 221.388 3.878 20 0 BHADRO CC(C)C1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000393910965 357306404 /nfs/dbraw/zinc/30/64/04/357306404.db2.gz SXSSPSIAJUPTEZ-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000393916941 357306789 /nfs/dbraw/zinc/30/67/89/357306789.db2.gz WKIJFBFIMDISBY-OBJOEFQTSA-N 1 0 221.344 3.899 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccoc2)CC1 ZINC000393917042 357306584 /nfs/dbraw/zinc/30/65/84/357306584.db2.gz WKIJFBFIMDISBY-YRGRVCCFSA-N 1 0 221.344 3.899 20 0 BHADRO CC(C)C1([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000393917220 388445710 /nfs/dbraw/zinc/44/57/10/388445710.db2.gz LOMKZXVQVMGCDC-UHFFFAOYSA-N 1 0 241.737 3.757 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000393918624 357306866 /nfs/dbraw/zinc/30/68/66/357306866.db2.gz OLVIUGDLMKAYOH-CQLXCSJHSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000393918626 357306520 /nfs/dbraw/zinc/30/65/20/357306520.db2.gz OLVIUGDLMKAYOH-GMKTYKIGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000393918628 357306435 /nfs/dbraw/zinc/30/64/35/357306435.db2.gz OLVIUGDLMKAYOH-IGJPJIBNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000393918630 357306955 /nfs/dbraw/zinc/30/69/55/357306955.db2.gz OLVIUGDLMKAYOH-QCXCNERSSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000393923781 582933374 /nfs/dbraw/zinc/93/33/74/582933374.db2.gz OPBBVGAUWDPLCQ-GHMZBOCLSA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000393923786 582933591 /nfs/dbraw/zinc/93/35/91/582933591.db2.gz OPBBVGAUWDPLCQ-MNOVXSKESA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000393923789 582933697 /nfs/dbraw/zinc/93/36/97/582933697.db2.gz OPBBVGAUWDPLCQ-QWRGUYRKSA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000393923792 582933766 /nfs/dbraw/zinc/93/37/66/582933766.db2.gz OPBBVGAUWDPLCQ-WDEREUQCSA-N 1 0 238.375 3.624 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000393923866 357306431 /nfs/dbraw/zinc/30/64/31/357306431.db2.gz OWQWSFUNEZPZBM-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000393923868 357306348 /nfs/dbraw/zinc/30/63/48/357306348.db2.gz OWQWSFUNEZPZBM-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000393923870 357306577 /nfs/dbraw/zinc/30/65/77/357306577.db2.gz OWQWSFUNEZPZBM-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000393923872 357306829 /nfs/dbraw/zinc/30/68/29/357306829.db2.gz OWQWSFUNEZPZBM-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000393923905 344004767 /nfs/dbraw/zinc/00/47/67/344004767.db2.gz DBCBYWFJEFMDNJ-SNPRPXQTSA-N 1 0 217.356 3.568 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccsc2)nc1 ZINC000393924954 410768447 /nfs/dbraw/zinc/76/84/47/410768447.db2.gz LJDAYHPQMVUTIN-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccsc2)nc1 ZINC000393924956 410769643 /nfs/dbraw/zinc/76/96/43/410769643.db2.gz LJDAYHPQMVUTIN-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO Cc1sccc1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000393930570 357320613 /nfs/dbraw/zinc/32/06/13/357320613.db2.gz MNMJUPKLXXASGK-UHFFFAOYSA-N 1 0 237.412 3.971 20 0 BHADRO CC(C)(C)C1CC([NH2+]C(C2CC2)C2CC2)C1 ZINC000393934941 357320164 /nfs/dbraw/zinc/32/01/64/357320164.db2.gz PUKXJFCNJHVVOF-UHFFFAOYSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCCCO1 ZINC000393936551 410765041 /nfs/dbraw/zinc/76/50/41/410765041.db2.gz UDRGXDJIBWZAQZ-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCCCO1 ZINC000393936553 410765961 /nfs/dbraw/zinc/76/59/61/410765961.db2.gz UDRGXDJIBWZAQZ-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCCCO1 ZINC000393936555 410766310 /nfs/dbraw/zinc/76/63/10/410766310.db2.gz UDRGXDJIBWZAQZ-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCCCO1 ZINC000393936557 410766425 /nfs/dbraw/zinc/76/64/25/410766425.db2.gz UDRGXDJIBWZAQZ-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC(C)(C)C1 ZINC000393940513 357321002 /nfs/dbraw/zinc/32/10/02/357321002.db2.gz VZAYVFFHNHGPIM-FVCCEPFGSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC(C)(C)C1 ZINC000393940514 357321048 /nfs/dbraw/zinc/32/10/48/357321048.db2.gz VZAYVFFHNHGPIM-MROQNXINSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC(C)(C)C1 ZINC000393940515 357321293 /nfs/dbraw/zinc/32/12/93/357321293.db2.gz VZAYVFFHNHGPIM-QNWHQSFQSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC(C)(C)C1 ZINC000393940517 357321109 /nfs/dbraw/zinc/32/11/09/357321109.db2.gz VZAYVFFHNHGPIM-ZDEQEGDKSA-N 1 0 227.367 3.681 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C(C)(C)COCC ZINC000393940715 357321490 /nfs/dbraw/zinc/32/14/90/357321490.db2.gz WNJOIVLEIVKNOC-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C(C)(C)COCC ZINC000393940716 357321126 /nfs/dbraw/zinc/32/11/26/357321126.db2.gz WNJOIVLEIVKNOC-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000393941957 357321399 /nfs/dbraw/zinc/32/13/99/357321399.db2.gz ZAZVUAZKTRSJQU-AAEUAGOBSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000393942002 357321384 /nfs/dbraw/zinc/32/13/84/357321384.db2.gz ZAZVUAZKTRSJQU-DGCLKSJQSA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000393942004 357321209 /nfs/dbraw/zinc/32/12/09/357321209.db2.gz ZAZVUAZKTRSJQU-WCQYABFASA-N 1 0 209.377 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000393942005 357321031 /nfs/dbraw/zinc/32/10/31/357321031.db2.gz ZAZVUAZKTRSJQU-YPMHNXCESA-N 1 0 209.377 3.591 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000393945978 357321121 /nfs/dbraw/zinc/32/11/21/357321121.db2.gz PUKPSELFLIJWOK-HAQNSBGRSA-N 1 0 237.774 3.832 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)c1 ZINC000393946000 357321520 /nfs/dbraw/zinc/32/15/20/357321520.db2.gz PWBWXXBUIXGKFX-MPKXVKKWSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)c1 ZINC000393946004 357321306 /nfs/dbraw/zinc/32/13/06/357321306.db2.gz PWBWXXBUIXGKFX-SCDSUCTJSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000393946007 357321035 /nfs/dbraw/zinc/32/10/35/357321035.db2.gz PWBWXXBUIXGKFX-VHRBIJSZSA-N 1 0 237.412 3.971 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)c1 ZINC000393946009 357321269 /nfs/dbraw/zinc/32/12/69/357321269.db2.gz PWBWXXBUIXGKFX-ZKYQVNSYSA-N 1 0 237.412 3.971 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)C1CCCCCC1 ZINC000393946090 357321368 /nfs/dbraw/zinc/32/13/68/357321368.db2.gz FYDCKTANRQZSEG-BNOWGMLFSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)C1CCCCCC1 ZINC000393946094 357320954 /nfs/dbraw/zinc/32/09/54/357320954.db2.gz FYDCKTANRQZSEG-YUTCNCBUSA-N 1 0 227.367 3.826 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000393950770 410770788 /nfs/dbraw/zinc/77/07/88/410770788.db2.gz WTJWQKYWXRAQSH-KBPBESRZSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000393950771 410770987 /nfs/dbraw/zinc/77/09/87/410770987.db2.gz WTJWQKYWXRAQSH-KGLIPLIRSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000393950772 411328452 /nfs/dbraw/zinc/32/84/52/411328452.db2.gz WTJWQKYWXRAQSH-UONOGXRCSA-N 1 0 221.388 3.733 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000393950774 410771694 /nfs/dbraw/zinc/77/16/94/410771694.db2.gz WTJWQKYWXRAQSH-ZIAGYGMSSA-N 1 0 221.388 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CCCCC1 ZINC000393951606 357321467 /nfs/dbraw/zinc/32/14/67/357321467.db2.gz YFEJUOHOIORZRV-BFHYXJOUSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CCCCC1 ZINC000393951607 357321153 /nfs/dbraw/zinc/32/11/53/357321153.db2.gz YFEJUOHOIORZRV-MELADBBJSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393951886 357321404 /nfs/dbraw/zinc/32/14/04/357321404.db2.gz YYBYCCDAMYYJEG-MROQNXINSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393951889 357321085 /nfs/dbraw/zinc/32/10/85/357321085.db2.gz YYBYCCDAMYYJEG-WUHRBBMRSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393951892 357321259 /nfs/dbraw/zinc/32/12/59/357321259.db2.gz YYBYCCDAMYYJEG-YVECIDJPSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393951895 357322080 /nfs/dbraw/zinc/32/20/80/357322080.db2.gz YYBYCCDAMYYJEG-ZDEQEGDKSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000393953082 357322353 /nfs/dbraw/zinc/32/23/53/357322353.db2.gz AOXHPPWPQMVYIU-HNNXBMFYSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000393953083 357322084 /nfs/dbraw/zinc/32/20/84/357322084.db2.gz AOXHPPWPQMVYIU-OAHLLOKOSA-N 1 0 243.375 3.834 20 0 BHADRO CCC[C@@H](C[NH2+]C1CCC(C(C)C)CC1)OC ZINC000393957227 357322507 /nfs/dbraw/zinc/32/25/07/357322507.db2.gz IDCPWEUWLOTHHC-NRXISQOPSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C[NH2+]C1CCC(C(C)C)CC1)OC ZINC000393957234 357322201 /nfs/dbraw/zinc/32/22/01/357322201.db2.gz IDCPWEUWLOTHHC-YMAMQOFZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1csc(C[NH2+]Cc2c(C)cccc2C)c1 ZINC000393958409 357322177 /nfs/dbraw/zinc/32/21/77/357322177.db2.gz NCLCKHOMBQHILY-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO c1ccc(CC2CC[NH+](CC3CCC3)CC2)cc1 ZINC000393960583 386306454 /nfs/dbraw/zinc/30/64/54/386306454.db2.gz DGMMUCLVKJKAAD-UHFFFAOYSA-N 1 0 243.394 3.741 20 0 BHADRO Cc1csc(C[NH2+]Cc2cc(C)ccc2F)c1 ZINC000393961629 357322538 /nfs/dbraw/zinc/32/25/38/357322538.db2.gz SOJLALUSPRJLOF-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000393975932 711680897 /nfs/dbraw/zinc/68/08/97/711680897.db2.gz WAZPAQHAFYRIOL-LLVKDONJSA-N 1 0 221.319 3.585 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000393975934 711180909 /nfs/dbraw/zinc/18/09/09/711180909.db2.gz WAZPAQHAFYRIOL-NSHDSACASA-N 1 0 221.319 3.585 20 0 BHADRO CCC[C@H]([NH2+]CC1(CC)COC1)c1ccccc1 ZINC000393977881 388448811 /nfs/dbraw/zinc/44/88/11/388448811.db2.gz UBIIYPGXGJLZSH-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CC1(CC)COC1)c1ccccc1 ZINC000393977884 388448452 /nfs/dbraw/zinc/44/84/52/388448452.db2.gz UBIIYPGXGJLZSH-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1C)C(C)(C)O ZINC000394013643 357314875 /nfs/dbraw/zinc/31/48/75/357314875.db2.gz JDIHELXPFMHNQS-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1C)C(C)(C)O ZINC000394013648 357315249 /nfs/dbraw/zinc/31/52/49/357315249.db2.gz JDIHELXPFMHNQS-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1C)C(C)(C)O ZINC000394013650 357315311 /nfs/dbraw/zinc/31/53/11/357315311.db2.gz JDIHELXPFMHNQS-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1C)C(C)(C)O ZINC000394013651 357315132 /nfs/dbraw/zinc/31/51/32/357315132.db2.gz JDIHELXPFMHNQS-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(C)(C)O ZINC000394014654 357315016 /nfs/dbraw/zinc/31/50/16/357315016.db2.gz KQPBPDSOPKEVNV-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(C)(C)O ZINC000394014659 357314998 /nfs/dbraw/zinc/31/49/98/357314998.db2.gz KQPBPDSOPKEVNV-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(C)(C)O ZINC000394014663 357315369 /nfs/dbraw/zinc/31/53/69/357315369.db2.gz KQPBPDSOPKEVNV-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(C)(C)O ZINC000394014664 357314864 /nfs/dbraw/zinc/31/48/64/357314864.db2.gz KQPBPDSOPKEVNV-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)(C)O ZINC000394016907 388449275 /nfs/dbraw/zinc/44/92/75/388449275.db2.gz RIBAEVMTPLNHEH-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)(C)O ZINC000394016914 323107282 /nfs/dbraw/zinc/10/72/82/323107282.db2.gz RIBAEVMTPLNHEH-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(C)(C)O ZINC000394016921 323107341 /nfs/dbraw/zinc/10/73/41/323107341.db2.gz RIBAEVMTPLNHEH-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)(C)O ZINC000394016929 323107312 /nfs/dbraw/zinc/10/73/12/323107312.db2.gz RIBAEVMTPLNHEH-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+]C(CC(C)C)CC(C)C)C(C)(C)O ZINC000394024486 357315158 /nfs/dbraw/zinc/31/51/58/357315158.db2.gz ZJYIVUSNISIDNH-AWEZNQCLSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C(C)(C)O ZINC000394024487 357315154 /nfs/dbraw/zinc/31/51/54/357315154.db2.gz ZJYIVUSNISIDNH-CQSZACIVSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)(C)O ZINC000394028340 259310510 /nfs/dbraw/zinc/31/05/10/259310510.db2.gz XMTZZFVDKDDJCJ-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)(C)O ZINC000394028342 259310499 /nfs/dbraw/zinc/31/04/99/259310499.db2.gz XMTZZFVDKDDJCJ-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)(C)O ZINC000394028346 259310516 /nfs/dbraw/zinc/31/05/16/259310516.db2.gz XMTZZFVDKDDJCJ-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)(C)O ZINC000394028347 259310471 /nfs/dbraw/zinc/31/04/71/259310471.db2.gz XMTZZFVDKDDJCJ-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC(C)CCC[NH2+]CCCOC1CCCCC1 ZINC000394038587 357316077 /nfs/dbraw/zinc/31/60/77/357316077.db2.gz IVJWQODFUYYYLS-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)CCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000394041937 357316938 /nfs/dbraw/zinc/31/69/38/357316938.db2.gz YWAHLFOILAILGK-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO CO[C@H](C[NH2+]C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000394060266 487503292 /nfs/dbraw/zinc/50/32/92/487503292.db2.gz BQIPCZPTZMJJSK-DZGCQCFKSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000394060268 487503883 /nfs/dbraw/zinc/50/38/83/487503883.db2.gz BQIPCZPTZMJJSK-HIFRSBDPSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000394060270 487503738 /nfs/dbraw/zinc/50/37/38/487503738.db2.gz BQIPCZPTZMJJSK-UKRRQHHQSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000394060272 487503940 /nfs/dbraw/zinc/50/39/40/487503940.db2.gz BQIPCZPTZMJJSK-ZFWWWQNUSA-N 1 0 249.398 3.646 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000394084515 711183301 /nfs/dbraw/zinc/18/33/01/711183301.db2.gz UUCZKIAPBWMBHK-BBNOBNGHSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000394084527 711182764 /nfs/dbraw/zinc/18/27/64/711182764.db2.gz UUCZKIAPBWMBHK-CXTZMWEQSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000394084531 711183347 /nfs/dbraw/zinc/18/33/47/711183347.db2.gz UUCZKIAPBWMBHK-FWIFWCIWSA-N 1 0 245.366 3.825 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000394084535 711182455 /nfs/dbraw/zinc/18/24/55/711182455.db2.gz UUCZKIAPBWMBHK-VHMBPLKRSA-N 1 0 245.366 3.825 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC23CCCC3)n1 ZINC000394089334 357323950 /nfs/dbraw/zinc/32/39/50/357323950.db2.gz OHPLXUZMRGGXSC-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC23CCCC3)n1 ZINC000394089339 357323703 /nfs/dbraw/zinc/32/37/03/357323703.db2.gz OHPLXUZMRGGXSC-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)OC ZINC000394110848 357325636 /nfs/dbraw/zinc/32/56/36/357325636.db2.gz PRJRKGPTECUJSL-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)OC ZINC000394110850 357325511 /nfs/dbraw/zinc/32/55/11/357325511.db2.gz PRJRKGPTECUJSL-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)OC ZINC000394110851 357325570 /nfs/dbraw/zinc/32/55/70/357325570.db2.gz PRJRKGPTECUJSL-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)OC ZINC000394110852 357325551 /nfs/dbraw/zinc/32/55/51/357325551.db2.gz PRJRKGPTECUJSL-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)CCCNc1ccc(C[NH+](C)C)cc1 ZINC000394114793 357325316 /nfs/dbraw/zinc/32/53/16/357325316.db2.gz RAYJDLZFDFJBNA-UHFFFAOYSA-N 1 0 234.387 3.596 20 0 BHADRO Cc1ccnc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c1 ZINC000394120289 582956053 /nfs/dbraw/zinc/95/60/53/582956053.db2.gz JXCCYBQWLRDWGT-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)c1 ZINC000394120294 582956104 /nfs/dbraw/zinc/95/61/04/582956104.db2.gz JXCCYBQWLRDWGT-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c1 ZINC000394120295 582956146 /nfs/dbraw/zinc/95/61/46/582956146.db2.gz JXCCYBQWLRDWGT-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c1 ZINC000394120296 582955754 /nfs/dbraw/zinc/95/57/54/582955754.db2.gz JXCCYBQWLRDWGT-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCSC)c1ccsc1 ZINC000394211941 711189012 /nfs/dbraw/zinc/18/90/12/711189012.db2.gz BQXJREQZFIBWFL-CMPLNLGQSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCSC)c1ccsc1 ZINC000394211943 711188354 /nfs/dbraw/zinc/18/83/54/711188354.db2.gz BQXJREQZFIBWFL-JQWIXIFHSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCSC)c1ccsc1 ZINC000394211944 711188846 /nfs/dbraw/zinc/18/88/46/711188846.db2.gz BQXJREQZFIBWFL-PWSUYJOCSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCSC)c1ccsc1 ZINC000394211945 711188973 /nfs/dbraw/zinc/18/89/73/711188973.db2.gz BQXJREQZFIBWFL-ZYHUDNBSSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@@H]([NH2+]CCSC(C)C)c1ccsc1 ZINC000394212797 259309991 /nfs/dbraw/zinc/30/99/91/259309991.db2.gz CEESZTUGPMKZLI-GFCCVEGCSA-N 1 0 243.441 3.930 20 0 BHADRO CC[C@H]([NH2+]CCSC(C)C)c1ccsc1 ZINC000394212798 259310099 /nfs/dbraw/zinc/31/00/99/259310099.db2.gz CEESZTUGPMKZLI-LBPRGKRZSA-N 1 0 243.441 3.930 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000394226774 410781312 /nfs/dbraw/zinc/78/13/12/410781312.db2.gz KAXTYWRWODGLTJ-PPWQZUPISA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000394226775 410781113 /nfs/dbraw/zinc/78/11/13/410781113.db2.gz KAXTYWRWODGLTJ-URGYJCLVSA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000394226776 410780773 /nfs/dbraw/zinc/78/07/73/410780773.db2.gz KAXTYWRWODGLTJ-VXGQWTEUSA-N 1 0 221.388 3.757 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000394226778 410781947 /nfs/dbraw/zinc/78/19/47/410781947.db2.gz KAXTYWRWODGLTJ-XSCHDIRWSA-N 1 0 221.388 3.757 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccsc1 ZINC000394249703 384480448 /nfs/dbraw/zinc/48/04/48/384480448.db2.gz ZPOWLFZAJZBHOG-NEPJUHHUSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccsc1 ZINC000394249704 384480953 /nfs/dbraw/zinc/48/09/53/384480953.db2.gz ZPOWLFZAJZBHOG-NWDGAFQWSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccsc1 ZINC000394249705 322924307 /nfs/dbraw/zinc/92/43/07/322924307.db2.gz ZPOWLFZAJZBHOG-RYUDHWBXSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccsc1 ZINC000394249706 384479944 /nfs/dbraw/zinc/47/99/44/384479944.db2.gz ZPOWLFZAJZBHOG-VXGBXAGGSA-N 1 0 241.425 3.684 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccsc1 ZINC000394257316 259330776 /nfs/dbraw/zinc/33/07/76/259330776.db2.gz IGXSCQZTERHFEV-LLVKDONJSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C)c1ccsc1 ZINC000394257318 259330726 /nfs/dbraw/zinc/33/07/26/259330726.db2.gz IGXSCQZTERHFEV-NSHDSACASA-N 1 0 211.374 3.835 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)c1ccsc1 ZINC000394265042 259343915 /nfs/dbraw/zinc/34/39/15/259343915.db2.gz PMVMNRYBJBTUET-GFCCVEGCSA-N 1 0 211.374 3.977 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)c1ccsc1 ZINC000394265043 259343978 /nfs/dbraw/zinc/34/39/78/259343978.db2.gz PMVMNRYBJBTUET-LBPRGKRZSA-N 1 0 211.374 3.977 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC1)c1ccsc1 ZINC000394273628 259346921 /nfs/dbraw/zinc/34/69/21/259346921.db2.gz YDDJCPAJRQELDG-GFCCVEGCSA-N 1 0 209.358 3.589 20 0 BHADRO CC[C@H]([NH2+]CC1CCC1)c1ccsc1 ZINC000394273629 259346919 /nfs/dbraw/zinc/34/69/19/259346919.db2.gz YDDJCPAJRQELDG-LBPRGKRZSA-N 1 0 209.358 3.589 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC000394281932 259348724 /nfs/dbraw/zinc/34/87/24/259348724.db2.gz HAZMFCYINSJUHY-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC000394281933 259348759 /nfs/dbraw/zinc/34/87/59/259348759.db2.gz HAZMFCYINSJUHY-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1C)C(C)C ZINC000394281935 259348754 /nfs/dbraw/zinc/34/87/54/259348754.db2.gz HAZMFCYINSJUHY-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1C)C(C)C ZINC000394281936 259348749 /nfs/dbraw/zinc/34/87/49/259348749.db2.gz HAZMFCYINSJUHY-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO CCC[C@H](C[NH2+][C@H](CC)c1ccsc1)OC ZINC000394293531 385267036 /nfs/dbraw/zinc/26/70/36/385267036.db2.gz OMWCBMVYWZHUNH-CHWSQXEVSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](CC)c1ccsc1)OC ZINC000394293534 385267591 /nfs/dbraw/zinc/26/75/91/385267591.db2.gz OMWCBMVYWZHUNH-OLZOCXBDSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](CC)c1ccsc1)OC ZINC000394293536 385266223 /nfs/dbraw/zinc/26/62/23/385266223.db2.gz OMWCBMVYWZHUNH-QWHCGFSZSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](CC)c1ccsc1)OC ZINC000394293538 385267910 /nfs/dbraw/zinc/26/79/10/385267910.db2.gz OMWCBMVYWZHUNH-STQMWFEESA-N 1 0 241.400 3.604 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000394300969 259351050 /nfs/dbraw/zinc/35/10/50/259351050.db2.gz SPVCIOWHMNIBKD-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000394300972 259351052 /nfs/dbraw/zinc/35/10/52/259351052.db2.gz SPVCIOWHMNIBKD-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000394300974 259351013 /nfs/dbraw/zinc/35/10/13/259351013.db2.gz SPVCIOWHMNIBKD-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1cc(C)cc(C)c1)C(C)C ZINC000394300978 259351047 /nfs/dbraw/zinc/35/10/47/259351047.db2.gz SPVCIOWHMNIBKD-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000394320168 387864347 /nfs/dbraw/zinc/86/43/47/387864347.db2.gz GLDPAEAGUFYCEY-BNQIPGGESA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC2CCC1CC2 ZINC000394320170 387864233 /nfs/dbraw/zinc/86/42/33/387864233.db2.gz GLDPAEAGUFYCEY-DGLGBPBLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000394320174 387864355 /nfs/dbraw/zinc/86/43/55/387864355.db2.gz GLDPAEAGUFYCEY-TYVCDUJCSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC2CCC1CC2 ZINC000394320176 387865079 /nfs/dbraw/zinc/86/50/79/387865079.db2.gz GLDPAEAGUFYCEY-WZKVNAIUSA-N 1 0 249.423 3.847 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000394322048 711189526 /nfs/dbraw/zinc/18/95/26/711189526.db2.gz HZRVZSHOWZGSLW-BDVYOWHSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000394322056 711190162 /nfs/dbraw/zinc/19/01/62/711190162.db2.gz HZRVZSHOWZGSLW-PREGVCBESA-N 1 0 243.394 3.706 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccsc1 ZINC000394327414 410789345 /nfs/dbraw/zinc/78/93/45/410789345.db2.gz NKDXLNVASOBOQX-CYBMUJFWSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccsc1 ZINC000394327415 410789555 /nfs/dbraw/zinc/78/95/55/410789555.db2.gz NKDXLNVASOBOQX-ZDUSSCGKSA-N 1 0 235.352 3.890 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394350348 711190136 /nfs/dbraw/zinc/19/01/36/711190136.db2.gz FULDNFRJULKFME-BZTHDZJNSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394350349 711190315 /nfs/dbraw/zinc/19/03/15/711190315.db2.gz FULDNFRJULKFME-NNZPWHBESA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394350350 711190525 /nfs/dbraw/zinc/19/05/25/711190525.db2.gz FULDNFRJULKFME-RUOPDXTDSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394350351 711190751 /nfs/dbraw/zinc/19/07/51/711190751.db2.gz FULDNFRJULKFME-UWMJVVDFSA-N 1 0 221.388 3.591 20 0 BHADRO CCCCOCC[NH2+][C@H](CC)c1ccsc1 ZINC000394362511 387890752 /nfs/dbraw/zinc/89/07/52/387890752.db2.gz QAXYBHWBBCEADE-CYBMUJFWSA-N 1 0 241.400 3.606 20 0 BHADRO CCCCOCC[NH2+][C@@H](CC)c1ccsc1 ZINC000394362512 384397654 /nfs/dbraw/zinc/39/76/54/384397654.db2.gz QAXYBHWBBCEADE-ZDUSSCGKSA-N 1 0 241.400 3.606 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000394394679 342748618 /nfs/dbraw/zinc/74/86/18/342748618.db2.gz DBGVBMWLAXCSOB-GXSJLCMTSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000394394681 342748531 /nfs/dbraw/zinc/74/85/31/342748531.db2.gz DBGVBMWLAXCSOB-KOLCDFICSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000394394682 342748609 /nfs/dbraw/zinc/74/86/09/342748609.db2.gz DBGVBMWLAXCSOB-MWLCHTKSSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccsc1 ZINC000394398942 487673992 /nfs/dbraw/zinc/67/39/92/487673992.db2.gz JRCPSAZZKNKXFX-GHMZBOCLSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccsc1 ZINC000394398945 487674044 /nfs/dbraw/zinc/67/40/44/487674044.db2.gz JRCPSAZZKNKXFX-MNOVXSKESA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccsc1 ZINC000394398948 487674067 /nfs/dbraw/zinc/67/40/67/487674067.db2.gz JRCPSAZZKNKXFX-QWRGUYRKSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccsc1 ZINC000394398950 487674098 /nfs/dbraw/zinc/67/40/98/487674098.db2.gz JRCPSAZZKNKXFX-WDEREUQCSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000394399514 487677094 /nfs/dbraw/zinc/67/70/94/487677094.db2.gz GBNJZTDRBAWZQJ-CHWSQXEVSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000394399515 487677159 /nfs/dbraw/zinc/67/71/59/487677159.db2.gz GBNJZTDRBAWZQJ-OLZOCXBDSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000394399517 487676700 /nfs/dbraw/zinc/67/67/00/487676700.db2.gz GBNJZTDRBAWZQJ-QWHCGFSZSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000394399518 487676635 /nfs/dbraw/zinc/67/66/35/487676635.db2.gz GBNJZTDRBAWZQJ-STQMWFEESA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cccs1 ZINC000394412711 487679243 /nfs/dbraw/zinc/67/92/43/487679243.db2.gz WIEZLEUACKIXSX-GHMZBOCLSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cccs1 ZINC000394412712 487679450 /nfs/dbraw/zinc/67/94/50/487679450.db2.gz WIEZLEUACKIXSX-MNOVXSKESA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cccs1 ZINC000394412714 487679031 /nfs/dbraw/zinc/67/90/31/487679031.db2.gz WIEZLEUACKIXSX-QWRGUYRKSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cccs1 ZINC000394412716 487679214 /nfs/dbraw/zinc/67/92/14/487679214.db2.gz WIEZLEUACKIXSX-WDEREUQCSA-N 1 0 211.374 3.835 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000394415448 487679251 /nfs/dbraw/zinc/67/92/51/487679251.db2.gz YXKZOLDKCAKVAA-NXEZZACHSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000394415450 488070986 /nfs/dbraw/zinc/07/09/86/488070986.db2.gz YXKZOLDKCAKVAA-UWVGGRQHSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000394415453 487679352 /nfs/dbraw/zinc/67/93/52/487679352.db2.gz YXKZOLDKCAKVAA-VHSXEESVSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000394415455 487679062 /nfs/dbraw/zinc/67/90/62/487679062.db2.gz YXKZOLDKCAKVAA-ZJUUUORDSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000394428058 342790674 /nfs/dbraw/zinc/79/06/74/342790674.db2.gz SNCUUPBSCNUUCD-CHWSQXEVSA-N 1 0 230.355 3.645 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000394428064 342790624 /nfs/dbraw/zinc/79/06/24/342790624.db2.gz SNCUUPBSCNUUCD-OLZOCXBDSA-N 1 0 230.355 3.645 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000394428067 342790582 /nfs/dbraw/zinc/79/05/82/342790582.db2.gz SNCUUPBSCNUUCD-QWHCGFSZSA-N 1 0 230.355 3.645 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000394428069 342790639 /nfs/dbraw/zinc/79/06/39/342790639.db2.gz SNCUUPBSCNUUCD-STQMWFEESA-N 1 0 230.355 3.645 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCF ZINC000394431282 322998809 /nfs/dbraw/zinc/99/88/09/322998809.db2.gz XKSPAXQUKQEECH-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCF ZINC000394431284 322998696 /nfs/dbraw/zinc/99/86/96/322998696.db2.gz XKSPAXQUKQEECH-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCF ZINC000394431286 384625630 /nfs/dbraw/zinc/62/56/30/384625630.db2.gz XKSPAXQUKQEECH-XQQFMLRXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCF ZINC000394431287 322998814 /nfs/dbraw/zinc/99/88/14/322998814.db2.gz XKSPAXQUKQEECH-YNEHKIRRSA-N 1 0 215.356 3.541 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCCC2)cs1 ZINC000394434973 345041435 /nfs/dbraw/zinc/04/14/35/345041435.db2.gz GVAHHQNDXKDZAS-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCCC2)cs1 ZINC000394434974 345041329 /nfs/dbraw/zinc/04/13/29/345041329.db2.gz GVAHHQNDXKDZAS-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000394440329 711192967 /nfs/dbraw/zinc/19/29/67/711192967.db2.gz BVWUPAZBVYOTSN-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000394440331 711687574 /nfs/dbraw/zinc/68/75/74/711687574.db2.gz BVWUPAZBVYOTSN-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000394440333 711687624 /nfs/dbraw/zinc/68/76/24/711687624.db2.gz BVWUPAZBVYOTSN-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000394440335 711192977 /nfs/dbraw/zinc/19/29/77/711192977.db2.gz BVWUPAZBVYOTSN-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394449252 259354067 /nfs/dbraw/zinc/35/40/67/259354067.db2.gz NZNSKJMTGUJADY-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394449254 259354128 /nfs/dbraw/zinc/35/41/28/259354128.db2.gz NZNSKJMTGUJADY-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394449256 259353869 /nfs/dbraw/zinc/35/38/69/259353869.db2.gz NZNSKJMTGUJADY-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394449257 259354141 /nfs/dbraw/zinc/35/41/41/259354141.db2.gz NZNSKJMTGUJADY-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000394466276 323033758 /nfs/dbraw/zinc/03/37/58/323033758.db2.gz YYGKUAJUGYOSBQ-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000394466277 323033771 /nfs/dbraw/zinc/03/37/71/323033771.db2.gz YYGKUAJUGYOSBQ-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO CC[N@H+](Cc1ccc(C#N)cc1C)CC(C)(C)C ZINC000394467163 342800328 /nfs/dbraw/zinc/80/03/28/342800328.db2.gz ZWOBGCVOWVSZDW-UHFFFAOYSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+]C1CCC(CC)CC1)OC ZINC000394468000 259358342 /nfs/dbraw/zinc/35/83/42/259358342.db2.gz CVOZYUDOBIVORB-PPWQZUPISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@H](C[NH2+]C1CCC(CC)CC1)OC ZINC000394468001 259358343 /nfs/dbraw/zinc/35/83/43/259358343.db2.gz CVOZYUDOBIVORB-URGYJCLVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+]C1CCC(CC)CC1)OC ZINC000394468003 259358341 /nfs/dbraw/zinc/35/83/41/259358341.db2.gz CVOZYUDOBIVORB-VXGQWTEUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@@H](C[NH2+]C1CCC(CC)CC1)OC ZINC000394468004 259358339 /nfs/dbraw/zinc/35/83/39/259358339.db2.gz CVOZYUDOBIVORB-XSCHDIRWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cccc2cccnc21 ZINC000394469689 487698598 /nfs/dbraw/zinc/69/85/98/487698598.db2.gz QHKUKCHATMQNHF-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cccc2cccnc21 ZINC000394469691 487698753 /nfs/dbraw/zinc/69/87/53/487698753.db2.gz QHKUKCHATMQNHF-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000394472657 487699475 /nfs/dbraw/zinc/69/94/75/487699475.db2.gz SXMQZSFYOGQZCW-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000394472661 487699324 /nfs/dbraw/zinc/69/93/24/487699324.db2.gz SXMQZSFYOGQZCW-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2)cs1 ZINC000394472942 323037329 /nfs/dbraw/zinc/03/73/29/323037329.db2.gz GJVVFGICARLFAT-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2)cs1 ZINC000394472944 323037375 /nfs/dbraw/zinc/03/73/75/323037375.db2.gz GJVVFGICARLFAT-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CCC2)cs1 ZINC000394473842 711687947 /nfs/dbraw/zinc/68/79/47/711687947.db2.gz GRTKKWIYEIYSBR-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CCC2)cs1 ZINC000394473845 711192644 /nfs/dbraw/zinc/19/26/44/711192644.db2.gz GRTKKWIYEIYSBR-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H](C)CC1)OC ZINC000394476023 410557707 /nfs/dbraw/zinc/55/77/07/410557707.db2.gz IALKVENAIRERCB-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)CC1)OC ZINC000394476025 410801247 /nfs/dbraw/zinc/80/12/47/410801247.db2.gz IALKVENAIRERCB-BARDWOONSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)OC ZINC000394476028 410800660 /nfs/dbraw/zinc/80/06/60/410800660.db2.gz IALKVENAIRERCB-QPSCCSFWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H](C)CC1)OC ZINC000394476031 410800854 /nfs/dbraw/zinc/80/08/54/410800854.db2.gz IALKVENAIRERCB-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CCCCC1(F)F ZINC000394476485 259359311 /nfs/dbraw/zinc/35/93/11/259359311.db2.gz PRFYUCXUZXUCAC-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CCCCC1(F)F ZINC000394476488 259359313 /nfs/dbraw/zinc/35/93/13/259359313.db2.gz PRFYUCXUZXUCAC-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1csc(C)c1 ZINC000394482697 323038691 /nfs/dbraw/zinc/03/86/91/323038691.db2.gz FLCIFOTVVVJNNF-JTQLQIEISA-N 1 0 211.374 3.896 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1csc(C)c1 ZINC000394482698 323038592 /nfs/dbraw/zinc/03/85/92/323038592.db2.gz FLCIFOTVVVJNNF-SNVBAGLBSA-N 1 0 211.374 3.896 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000394487390 711193244 /nfs/dbraw/zinc/19/32/44/711193244.db2.gz PACAFXOJDDJMJJ-HZSPNIEDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000394487391 711193266 /nfs/dbraw/zinc/19/32/66/711193266.db2.gz PACAFXOJDDJMJJ-IHRRRGAJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000394487393 711193295 /nfs/dbraw/zinc/19/32/95/711193295.db2.gz PACAFXOJDDJMJJ-MELADBBJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H](OC)[C@H](C)CC ZINC000394487394 711194207 /nfs/dbraw/zinc/19/42/07/711194207.db2.gz PACAFXOJDDJMJJ-RDBSUJKOSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000394488030 259359737 /nfs/dbraw/zinc/35/97/37/259359737.db2.gz PMIKRSSTVOYSCS-HZSPNIEDSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000394488031 259359725 /nfs/dbraw/zinc/35/97/25/259359725.db2.gz PMIKRSSTVOYSCS-IHRRRGAJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000394488033 259359568 /nfs/dbraw/zinc/35/95/68/259359568.db2.gz PMIKRSSTVOYSCS-MELADBBJSA-N 1 0 229.408 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](OC)[C@H](C)CC ZINC000394488036 259359594 /nfs/dbraw/zinc/35/95/94/259359594.db2.gz PMIKRSSTVOYSCS-RDBSUJKOSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCC2)ccc1F ZINC000394495036 259360123 /nfs/dbraw/zinc/36/01/23/259360123.db2.gz GDVAVIUKRSOULP-LLVKDONJSA-N 1 0 221.319 3.727 20 0 BHADRO CC(C)n1nccc1C[NH2+]CCC1CCCCC1 ZINC000394496497 323060025 /nfs/dbraw/zinc/06/00/25/323060025.db2.gz ACLAHRSCGZFWLM-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnn1C(C)C)C1CCCC1 ZINC000394497954 323060984 /nfs/dbraw/zinc/06/09/84/323060984.db2.gz CECYVGDAFKKNQU-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnn1C(C)C)C1CCCC1 ZINC000394497955 323061007 /nfs/dbraw/zinc/06/10/07/323061007.db2.gz CECYVGDAFKKNQU-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C)cs1 ZINC000394501980 259360517 /nfs/dbraw/zinc/36/05/17/259360517.db2.gz QZZRTDUFYJTERF-JTQLQIEISA-N 1 0 211.374 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C)cs1 ZINC000394501981 259360444 /nfs/dbraw/zinc/36/04/44/259360444.db2.gz QZZRTDUFYJTERF-SNVBAGLBSA-N 1 0 211.374 3.753 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000394518035 259362586 /nfs/dbraw/zinc/36/25/86/259362586.db2.gz FJLNWNOSKAHADI-NEPJUHHUSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000394518036 259362585 /nfs/dbraw/zinc/36/25/85/259362585.db2.gz FJLNWNOSKAHADI-NWDGAFQWSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000394518037 259362573 /nfs/dbraw/zinc/36/25/73/259362573.db2.gz FJLNWNOSKAHADI-RYUDHWBXSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000394518040 259362584 /nfs/dbraw/zinc/36/25/84/259362584.db2.gz FJLNWNOSKAHADI-VXGBXAGGSA-N 1 0 245.357 3.838 20 0 BHADRO C1=CO[C@H](C[NH2+]CCC2CCCCCC2)CC1 ZINC000394525894 711194134 /nfs/dbraw/zinc/19/41/34/711194134.db2.gz FFSWLLWHIWTCNH-HNNXBMFYSA-N 1 0 237.387 3.629 20 0 BHADRO C1=CO[C@@H](C[NH2+]CCC2CCCCCC2)CC1 ZINC000394525895 711193540 /nfs/dbraw/zinc/19/35/40/711193540.db2.gz FFSWLLWHIWTCNH-OAHLLOKOSA-N 1 0 237.387 3.629 20 0 BHADRO FC1(F)CC(C[NH2+]CCC2CCCCCC2)C1 ZINC000394526194 259360146 /nfs/dbraw/zinc/36/01/46/259360146.db2.gz FILNXGGXGAIGFL-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000394526773 711688568 /nfs/dbraw/zinc/68/85/68/711688568.db2.gz TYTVQTJZRSDZQJ-CYBMUJFWSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000394526774 711193944 /nfs/dbraw/zinc/19/39/44/711193944.db2.gz TYTVQTJZRSDZQJ-ZDUSSCGKSA-N 1 0 237.391 3.522 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccnn1C(C)C ZINC000394531801 259364952 /nfs/dbraw/zinc/36/49/52/259364952.db2.gz YLJYGNPHYXEXAR-UHFFFAOYSA-N 1 0 237.391 3.522 20 0 BHADRO CCOCCCC[NH2+]CCC1CCCCCC1 ZINC000394535490 357364309 /nfs/dbraw/zinc/36/43/09/357364309.db2.gz NWDRYNYLRYOHSP-UHFFFAOYSA-N 1 0 241.419 3.753 20 0 BHADRO c1coc(CC[NH2+]CCC2CCCCCC2)c1 ZINC000394538352 357364166 /nfs/dbraw/zinc/36/41/66/357364166.db2.gz QUKGHMPYHFOTII-UHFFFAOYSA-N 1 0 235.371 3.772 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CCC(C)(F)F)C1 ZINC000394542026 259365439 /nfs/dbraw/zinc/36/54/39/259365439.db2.gz ULOHWQXMOWPENV-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CCC(C)(F)F)C1 ZINC000394542028 259365548 /nfs/dbraw/zinc/36/55/48/259365548.db2.gz ULOHWQXMOWPENV-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CCC(C)(F)F)C1 ZINC000394542031 259365424 /nfs/dbraw/zinc/36/54/24/259365424.db2.gz ULOHWQXMOWPENV-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CCC(C)(F)F)C1 ZINC000394542034 259365595 /nfs/dbraw/zinc/36/55/95/259365595.db2.gz ULOHWQXMOWPENV-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCCC1CC1 ZINC000394544625 582992785 /nfs/dbraw/zinc/99/27/85/582992785.db2.gz CZCLPOBJGDSBEJ-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCCC1CC1 ZINC000394544626 582993122 /nfs/dbraw/zinc/99/31/22/582993122.db2.gz CZCLPOBJGDSBEJ-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO CC(F)(F)CC[NH2+]CC1(C)CCCCCC1 ZINC000394545499 259366011 /nfs/dbraw/zinc/36/60/11/259366011.db2.gz DNUWUPXYPGWTBP-UHFFFAOYSA-N 1 0 233.346 3.982 20 0 BHADRO CC(C)(C[NH2+]CCCC1CC1)c1ccccc1 ZINC000394548319 633240318 /nfs/dbraw/zinc/24/03/18/633240318.db2.gz FVKFXSNBQFEWJI-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO COC1(C[NH2+]CCC2CCCCCC2)CCC1 ZINC000394552458 323080571 /nfs/dbraw/zinc/08/05/71/323080571.db2.gz BBZOTLFPIMQRFU-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCC=CO2)CCCCCC1 ZINC000394552738 711688949 /nfs/dbraw/zinc/68/89/49/711688949.db2.gz CCCBCXZYYHBELA-AWEZNQCLSA-N 1 0 237.387 3.629 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCC=CO2)CCCCCC1 ZINC000394552740 711193247 /nfs/dbraw/zinc/19/32/47/711193247.db2.gz CCCBCXZYYHBELA-CQSZACIVSA-N 1 0 237.387 3.629 20 0 BHADRO CCOc1cccc(C[NH2+]C2(CC)CCCC2)c1 ZINC000394553334 323080604 /nfs/dbraw/zinc/08/06/04/323080604.db2.gz CHXMJTOMDJLZQP-UHFFFAOYSA-N 1 0 247.382 3.898 20 0 BHADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCC1CCCCCC1 ZINC000394558400 387868734 /nfs/dbraw/zinc/86/87/34/387868734.db2.gz DRGQJCURMKUKCK-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1OCC[C@]1(C)[NH2+]CCC1CCCCCC1 ZINC000394558403 387868605 /nfs/dbraw/zinc/86/86/05/387868605.db2.gz DRGQJCURMKUKCK-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1OCC[C@@]1(C)[NH2+]CCC1CCCCCC1 ZINC000394558404 387868779 /nfs/dbraw/zinc/86/87/79/387868779.db2.gz DRGQJCURMKUKCK-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1OCC[C@]1(C)[NH2+]CCC1CCCCCC1 ZINC000394558405 387868805 /nfs/dbraw/zinc/86/88/05/387868805.db2.gz DRGQJCURMKUKCK-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394562107 357357677 /nfs/dbraw/zinc/35/76/77/357357677.db2.gz GPWRQXZMKMJABA-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394562108 357358032 /nfs/dbraw/zinc/35/80/32/357358032.db2.gz GPWRQXZMKMJABA-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394562111 357358158 /nfs/dbraw/zinc/35/81/58/357358158.db2.gz GPWRQXZMKMJABA-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394562112 357357987 /nfs/dbraw/zinc/35/79/87/357357987.db2.gz GPWRQXZMKMJABA-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+]CC2(C)CCCCCC2)CCC1 ZINC000394563318 323081124 /nfs/dbraw/zinc/08/11/24/323081124.db2.gz JBOFWBPZTMQFCC-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000394565065 323081083 /nfs/dbraw/zinc/08/10/83/323081083.db2.gz OOSATIBCBJNGMO-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000394565069 323081081 /nfs/dbraw/zinc/08/10/81/323081081.db2.gz OOSATIBCBJNGMO-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cccnc1C[NH2+]CCC1CCCCCC1 ZINC000394565996 357357536 /nfs/dbraw/zinc/35/75/36/357357536.db2.gz ISTZXEWUYSEJPI-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC000394566522 357358041 /nfs/dbraw/zinc/35/80/41/357358041.db2.gz IZNYMQNTFZSFGE-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(CC1CCCCCC1)[NH2+]C[C@H]1CCCCO1 ZINC000394566524 357358020 /nfs/dbraw/zinc/35/80/20/357358020.db2.gz IZNYMQNTFZSFGE-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO c1cc(CC[NH2+]CCC2CCCCCC2)ccn1 ZINC000394566585 357357484 /nfs/dbraw/zinc/35/74/84/357357484.db2.gz JEOJYFXVKBOASG-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO c1cncc(CC[NH2+]CCC2CCCCCC2)c1 ZINC000394567077 357357507 /nfs/dbraw/zinc/35/75/07/357357507.db2.gz JJMCXKVRCPXGJZ-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccco2)cs1 ZINC000394567703 323081112 /nfs/dbraw/zinc/08/11/12/323081112.db2.gz QCJRSQMNYXBVAY-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccco2)cs1 ZINC000394567709 323081145 /nfs/dbraw/zinc/08/11/45/323081145.db2.gz QCJRSQMNYXBVAY-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO C[C@@]1(C[NH2+]CCC2CCCCCC2)CCCO1 ZINC000394569406 346917977 /nfs/dbraw/zinc/91/79/77/346917977.db2.gz KMNKTVXNFGYSLG-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@]1(C[NH2+]CCC2CCCCCC2)CCCO1 ZINC000394569407 357358511 /nfs/dbraw/zinc/35/85/11/357358511.db2.gz KMNKTVXNFGYSLG-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1cc(C[NH2+]Cc2c(C)cccc2C)cs1 ZINC000394570184 711195470 /nfs/dbraw/zinc/19/54/70/711195470.db2.gz RGYXLZVBBTUSBY-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCO1 ZINC000394570588 357360640 /nfs/dbraw/zinc/36/06/40/357360640.db2.gz LHDDOLSCCNRDLU-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCO1 ZINC000394570589 346920668 /nfs/dbraw/zinc/92/06/68/346920668.db2.gz LHDDOLSCCNRDLU-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCO1 ZINC000394570591 357360060 /nfs/dbraw/zinc/36/00/60/357360060.db2.gz LHDDOLSCCNRDLU-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCO1 ZINC000394570592 357360070 /nfs/dbraw/zinc/36/00/70/357360070.db2.gz LHDDOLSCCNRDLU-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)OC ZINC000394570905 259367725 /nfs/dbraw/zinc/36/77/25/259367725.db2.gz RYTCKSHAACBZGO-BFHYXJOUSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)OC ZINC000394570906 259367517 /nfs/dbraw/zinc/36/75/17/259367517.db2.gz RYTCKSHAACBZGO-IHRRRGAJSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)OC ZINC000394570907 259367575 /nfs/dbraw/zinc/36/75/75/259367575.db2.gz RYTCKSHAACBZGO-MELADBBJSA-N 1 0 243.435 3.852 20 0 BHADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)CCC(C)(C)C)OC ZINC000394570908 259367512 /nfs/dbraw/zinc/36/75/12/259367512.db2.gz RYTCKSHAACBZGO-MJBXVCDLSA-N 1 0 243.435 3.852 20 0 BHADRO C[C@]1([NH2+]CCC2CCCCCC2)CCCOC1 ZINC000394572841 582994783 /nfs/dbraw/zinc/99/47/83/582994783.db2.gz MZBAXCDTWCXZJX-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@@]1([NH2+]CCC2CCCCCC2)CCCOC1 ZINC000394572842 582994678 /nfs/dbraw/zinc/99/46/78/582994678.db2.gz MZBAXCDTWCXZJX-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000394573687 633836113 /nfs/dbraw/zinc/83/61/13/633836113.db2.gz QKCCUOAVCNHGRA-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000394573690 633835972 /nfs/dbraw/zinc/83/59/72/633835972.db2.gz QKCCUOAVCNHGRA-RRFJBIMHSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000394573691 633835151 /nfs/dbraw/zinc/83/51/51/633835151.db2.gz QKCCUOAVCNHGRA-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000394573692 633835396 /nfs/dbraw/zinc/83/53/96/633835396.db2.gz QKCCUOAVCNHGRA-ZNMIVQPWSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1cccc(C[NH2+]CCC2CCCCCC2)n1 ZINC000394574273 357360376 /nfs/dbraw/zinc/36/03/76/357360376.db2.gz NZYRUEXRHWMHFP-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000394574729 357360424 /nfs/dbraw/zinc/36/04/24/357360424.db2.gz RHIWXBYEAPGNNU-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000394574732 357359877 /nfs/dbraw/zinc/35/98/77/357359877.db2.gz RHIWXBYEAPGNNU-RRFJBIMHSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000394574733 357360445 /nfs/dbraw/zinc/36/04/45/357360445.db2.gz RHIWXBYEAPGNNU-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000394574734 357360479 /nfs/dbraw/zinc/36/04/79/357360479.db2.gz RHIWXBYEAPGNNU-ZNMIVQPWSA-N 1 0 246.398 3.949 20 0 BHADRO c1ccc(CC[NH2+]CCC2CCCCCC2)nc1 ZINC000394576830 357360498 /nfs/dbraw/zinc/36/04/98/357360498.db2.gz PTMFJDIUFXIQFA-UHFFFAOYSA-N 1 0 246.398 3.574 20 0 BHADRO CC1([NH2+]CCC2CCCCCC2)CCOCC1 ZINC000394576869 357360233 /nfs/dbraw/zinc/36/02/33/357360233.db2.gz PVVROIGBHRIDLR-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CCCCCC2)cn1 ZINC000394577260 357359978 /nfs/dbraw/zinc/35/99/78/357359978.db2.gz QCVVWSPCBWTRBX-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@H](C)C1CCCCC1 ZINC000394580363 323081899 /nfs/dbraw/zinc/08/18/99/323081899.db2.gz YPTJMAMHGNXDMM-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1nccc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000394580365 323081829 /nfs/dbraw/zinc/08/18/29/323081829.db2.gz YPTJMAMHGNXDMM-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)cc2)CCCC1 ZINC000394581688 259369832 /nfs/dbraw/zinc/36/98/32/259369832.db2.gz CYTZRDNQHJFDOE-UHFFFAOYSA-N 1 0 217.356 3.807 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccnn2C(C)C)C1 ZINC000394583146 259374287 /nfs/dbraw/zinc/37/42/87/259374287.db2.gz CPZHXPIWQAXJGX-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2C(C)C)C1 ZINC000394583149 259374252 /nfs/dbraw/zinc/37/42/52/259374252.db2.gz CPZHXPIWQAXJGX-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2C(C)C)C1 ZINC000394583154 259374363 /nfs/dbraw/zinc/37/43/63/259374363.db2.gz CPZHXPIWQAXJGX-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2C(C)C)C1 ZINC000394583157 259374410 /nfs/dbraw/zinc/37/44/10/259374410.db2.gz CPZHXPIWQAXJGX-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1([NH2+]Cc2ncc(Cl)s2)CCCC1 ZINC000394587055 259376054 /nfs/dbraw/zinc/37/60/54/259376054.db2.gz GQUPNVCJUGDDJC-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO C[C@H]1CC([NH2+]C[C@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000394590887 259377487 /nfs/dbraw/zinc/37/74/87/259377487.db2.gz FALREACAXMRNLJ-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000394590889 259377461 /nfs/dbraw/zinc/37/74/61/259377461.db2.gz FALREACAXMRNLJ-QNWHQSFQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC([NH2+]C[C@@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000394590894 259377419 /nfs/dbraw/zinc/37/74/19/259377419.db2.gz FALREACAXMRNLJ-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000394590896 259377642 /nfs/dbraw/zinc/37/76/42/259377642.db2.gz FALREACAXMRNLJ-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C(CC1CCCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000394591605 357368158 /nfs/dbraw/zinc/36/81/58/357368158.db2.gz WYNLCKKQSJZPRZ-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(CC1CCCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000394591606 357368193 /nfs/dbraw/zinc/36/81/93/357368193.db2.gz WYNLCKKQSJZPRZ-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO c1cncc(C[NH2+]CCC2CCCCCC2)c1 ZINC000394592997 357368199 /nfs/dbraw/zinc/36/81/99/357368199.db2.gz XKOYRBVVBOLOGO-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO CC(C)n1nccc1C[NH2+]C1CCCCCCC1 ZINC000394596291 711195461 /nfs/dbraw/zinc/19/54/61/711195461.db2.gz IQCHRKIQLNRHSR-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CCC1([NH2+]Cc2ccnn2C(C)C)CCCCC1 ZINC000394596633 259380469 /nfs/dbraw/zinc/38/04/69/259380469.db2.gz HRJXXXJAKXYNGO-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CCC1([NH2+]Cc2c(F)cccc2F)CCCC1 ZINC000394598362 259380614 /nfs/dbraw/zinc/38/06/14/259380614.db2.gz OFDHDJJZVKSHLY-UHFFFAOYSA-N 1 0 239.309 3.777 20 0 BHADRO CC(F)(F)CC[NH2+]CCC1CCCCCC1 ZINC000394601781 385219997 /nfs/dbraw/zinc/21/99/97/385219997.db2.gz DIPSVMPDJLHALZ-UHFFFAOYSA-N 1 0 233.346 3.982 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C(C)C ZINC000394602574 385252353 /nfs/dbraw/zinc/25/23/53/385252353.db2.gz LFKRIOBBUNXUBR-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C(C)C ZINC000394602577 262740068 /nfs/dbraw/zinc/74/00/68/262740068.db2.gz LFKRIOBBUNXUBR-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C(C)C ZINC000394602580 262740085 /nfs/dbraw/zinc/74/00/85/262740085.db2.gz LFKRIOBBUNXUBR-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C(C)C ZINC000394602584 262740055 /nfs/dbraw/zinc/74/00/55/262740055.db2.gz LFKRIOBBUNXUBR-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1([NH2+]C[C@H](OC)c2ccccc2)CCCC1 ZINC000394606631 347375588 /nfs/dbraw/zinc/37/55/88/347375588.db2.gz RHDOBZCWWVXPHB-HNNXBMFYSA-N 1 0 247.382 3.687 20 0 BHADRO CCC1([NH2+]C[C@@H](OC)c2ccccc2)CCCC1 ZINC000394606635 347375627 /nfs/dbraw/zinc/37/56/27/347375627.db2.gz RHDOBZCWWVXPHB-OAHLLOKOSA-N 1 0 247.382 3.687 20 0 BHADRO COC1(C[NH2+]CC2(C)CCCCC2)CCCC1 ZINC000394612124 262741215 /nfs/dbraw/zinc/74/12/15/262741215.db2.gz SQBZULBXDDDGEB-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC1(C)OCC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394618069 342809042 /nfs/dbraw/zinc/80/90/42/342809042.db2.gz WUKIYWBKVQXCGY-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)OCC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394618071 347436799 /nfs/dbraw/zinc/43/67/99/347436799.db2.gz WUKIYWBKVQXCGY-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CC[C@H]([NH2+]CC2(C)CCCCCC2)C1 ZINC000394621585 323084815 /nfs/dbraw/zinc/08/48/15/323084815.db2.gz YEPMTQDYZFAGNI-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CC[C@@H]([NH2+]CC2(C)CCCCCC2)C1 ZINC000394621586 323084818 /nfs/dbraw/zinc/08/48/18/323084818.db2.gz YEPMTQDYZFAGNI-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+]CC2(C)CCCCCC2)C1 ZINC000394621587 386596154 /nfs/dbraw/zinc/59/61/54/386596154.db2.gz YEPMTQDYZFAGNI-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+]CC2(C)CCCCCC2)C1 ZINC000394621588 386595874 /nfs/dbraw/zinc/59/58/74/386595874.db2.gz YEPMTQDYZFAGNI-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C[NH2+]CCc2ccco2)CCCCCC1 ZINC000394621652 323084831 /nfs/dbraw/zinc/08/48/31/323084831.db2.gz YJJYACJZGFEYTM-UHFFFAOYSA-N 1 0 235.371 3.772 20 0 BHADRO CCC1([NH2+]Cc2cccc(COC)c2)CCCC1 ZINC000394622472 323084861 /nfs/dbraw/zinc/08/48/61/323084861.db2.gz YMWLYJKQPNPALW-UHFFFAOYSA-N 1 0 247.382 3.645 20 0 BHADRO CCC1([NH2+]Cc2cc(C)c(O)c(C)c2)CCCC1 ZINC000394622481 323084862 /nfs/dbraw/zinc/08/48/62/323084862.db2.gz YOBWYXJXYPQWSA-UHFFFAOYSA-N 1 0 247.382 3.821 20 0 BHADRO CC1(C[NH2+]CC2CC(F)(F)C2)CCCCCC1 ZINC000394623458 397907912 /nfs/dbraw/zinc/90/79/12/397907912.db2.gz ZCOITIDAIZYXJF-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394625971 347578178 /nfs/dbraw/zinc/57/81/78/347578178.db2.gz RZLRFQKULGRCJX-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394625973 347578159 /nfs/dbraw/zinc/57/81/59/347578159.db2.gz RZLRFQKULGRCJX-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394625974 347578192 /nfs/dbraw/zinc/57/81/92/347578192.db2.gz RZLRFQKULGRCJX-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394625975 347575505 /nfs/dbraw/zinc/57/55/05/347575505.db2.gz RZLRFQKULGRCJX-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000394628267 410812187 /nfs/dbraw/zinc/81/21/87/410812187.db2.gz TYRJRDIJZMZPMC-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000394628269 410812417 /nfs/dbraw/zinc/81/24/17/410812417.db2.gz TYRJRDIJZMZPMC-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000394628270 411123752 /nfs/dbraw/zinc/12/37/52/411123752.db2.gz TYRJRDIJZMZPMC-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000394628271 411123681 /nfs/dbraw/zinc/12/36/81/411123681.db2.gz TYRJRDIJZMZPMC-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)OCCC[NH2+]CCC1CCCCCC1 ZINC000394628803 357365378 /nfs/dbraw/zinc/36/53/78/357365378.db2.gz OUZVCBDCNNZQRE-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+]CCC1CCCCCC1 ZINC000394628914 357364802 /nfs/dbraw/zinc/36/48/02/357364802.db2.gz OZOQFVMCMDTDEO-UHFFFAOYSA-N 1 0 241.419 3.753 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccnn1C(C)C)C1CCC1 ZINC000394630030 537813393 /nfs/dbraw/zinc/81/33/93/537813393.db2.gz YLYDBSNNSHMXIN-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccnn1C(C)C)C1CCC1 ZINC000394630034 262741721 /nfs/dbraw/zinc/74/17/21/262741721.db2.gz YLYDBSNNSHMXIN-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394635644 323087180 /nfs/dbraw/zinc/08/71/80/323087180.db2.gz XBVWOUTVHFPKAI-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394635648 323087267 /nfs/dbraw/zinc/08/72/67/323087267.db2.gz XBVWOUTVHFPKAI-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000394635653 323087252 /nfs/dbraw/zinc/08/72/52/323087252.db2.gz XBVWOUTVHFPKAI-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000394635657 386596062 /nfs/dbraw/zinc/59/60/62/386596062.db2.gz XBVWOUTVHFPKAI-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000394637270 323087381 /nfs/dbraw/zinc/08/73/81/323087381.db2.gz XUZIXMUDPKNUQL-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CCCCC1(F)F ZINC000394637273 323087348 /nfs/dbraw/zinc/08/73/48/323087348.db2.gz XUZIXMUDPKNUQL-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1([NH2+]Cc2nc(C)c(C)s2)CCCC1 ZINC000394639593 386604530 /nfs/dbraw/zinc/60/45/30/386604530.db2.gz LAVVBLYZXGZJSF-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CC[C@]1([NH2+]CCC2CCCCCC2)CCOC1 ZINC000394640284 633240340 /nfs/dbraw/zinc/24/03/40/633240340.db2.gz URFVBVYFXDAJLX-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@@]1([NH2+]CCC2CCCCCC2)CCOC1 ZINC000394640286 633239635 /nfs/dbraw/zinc/23/96/35/633239635.db2.gz URFVBVYFXDAJLX-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO COCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC000394642372 357365769 /nfs/dbraw/zinc/36/57/69/357365769.db2.gz VONRLDRLWGRZHI-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)n1nccc1C[NH2+]CC1CCCCCC1 ZINC000394643221 323088700 /nfs/dbraw/zinc/08/87/00/323088700.db2.gz OXVNIJODBLKGOH-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000394645378 583007210 /nfs/dbraw/zinc/00/72/10/583007210.db2.gz VLYWRDVAGAFBDS-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000394645380 583007087 /nfs/dbraw/zinc/00/70/87/583007087.db2.gz VLYWRDVAGAFBDS-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000394645381 583155846 /nfs/dbraw/zinc/15/58/46/583155846.db2.gz VLYWRDVAGAFBDS-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000394645384 583006822 /nfs/dbraw/zinc/00/68/22/583006822.db2.gz VLYWRDVAGAFBDS-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO c1ccc(C[NH2+]CCC2CCCCCC2)nc1 ZINC000394653156 583007896 /nfs/dbraw/zinc/00/78/96/583007896.db2.gz ZTULSICRXRHHFQ-UHFFFAOYSA-N 1 0 232.371 3.532 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CCc2ccco2)C1 ZINC000394654799 357366490 /nfs/dbraw/zinc/36/64/90/357366490.db2.gz YRLPGTNVBKWSHF-KBPBESRZSA-N 1 0 235.371 3.628 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CCc2ccco2)C1 ZINC000394654809 357366296 /nfs/dbraw/zinc/36/62/96/357366296.db2.gz YRLPGTNVBKWSHF-KGLIPLIRSA-N 1 0 235.371 3.628 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CCc2ccco2)C1 ZINC000394654822 357366245 /nfs/dbraw/zinc/36/62/45/357366245.db2.gz YRLPGTNVBKWSHF-UONOGXRCSA-N 1 0 235.371 3.628 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CCc2ccco2)C1 ZINC000394654834 349064991 /nfs/dbraw/zinc/06/49/91/349064991.db2.gz YRLPGTNVBKWSHF-ZIAGYGMSSA-N 1 0 235.371 3.628 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCCC1)[C@@H]1CCCO1 ZINC000394658222 357366291 /nfs/dbraw/zinc/36/62/91/357366291.db2.gz JAVXISYBBAWWEY-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCCC1)[C@@H]1CCCO1 ZINC000394658224 357366510 /nfs/dbraw/zinc/36/65/10/357366510.db2.gz JAVXISYBBAWWEY-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCCC1)[C@H]1CCCO1 ZINC000394658225 357366665 /nfs/dbraw/zinc/36/66/65/357366665.db2.gz JAVXISYBBAWWEY-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCCC1)[C@H]1CCCO1 ZINC000394658227 357366677 /nfs/dbraw/zinc/36/66/77/357366677.db2.gz JAVXISYBBAWWEY-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@]1(C[NH2+]CC2(C)CCCCCC2)CCCO1 ZINC000394660245 349073616 /nfs/dbraw/zinc/07/36/16/349073616.db2.gz RRZVTVCUBOYFJN-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@]1(C[NH2+]CC2(C)CCCCCC2)CCCO1 ZINC000394660246 349073358 /nfs/dbraw/zinc/07/33/58/349073358.db2.gz RRZVTVCUBOYFJN-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000394661275 352565040 /nfs/dbraw/zinc/56/50/40/352565040.db2.gz KUAIJEULAHUKCA-JTQLQIEISA-N 1 0 226.389 3.538 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000394661276 342812849 /nfs/dbraw/zinc/81/28/49/342812849.db2.gz KUAIJEULAHUKCA-SNVBAGLBSA-N 1 0 226.389 3.538 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)c(F)c2)CCCC1 ZINC000394665994 323090444 /nfs/dbraw/zinc/09/04/44/323090444.db2.gz PVSLXMYQDYFMGV-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1ccncc1C[NH2+]CC1(C)CCCCCC1 ZINC000394670927 323090488 /nfs/dbraw/zinc/09/04/88/323090488.db2.gz XIBXCCMIMJTDGV-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CCC1([NH2+]C[C@H](C)CC(C)C)CCCC1 ZINC000394682764 398043290 /nfs/dbraw/zinc/04/32/90/398043290.db2.gz YYUHGHPAKKMJDL-CYBMUJFWSA-N 1 0 211.393 3.981 20 0 BHADRO CCC1([NH2+]C[C@@H](C)CC(C)C)CCCC1 ZINC000394682766 398043233 /nfs/dbraw/zinc/04/32/33/398043233.db2.gz YYUHGHPAKKMJDL-ZDUSSCGKSA-N 1 0 211.393 3.981 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ncc(C)s1 ZINC000394707189 385815469 /nfs/dbraw/zinc/81/54/69/385815469.db2.gz AHYYWKYUACFMAG-GFCCVEGCSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ncc(C)s1 ZINC000394707191 385815269 /nfs/dbraw/zinc/81/52/69/385815269.db2.gz AHYYWKYUACFMAG-LBPRGKRZSA-N 1 0 240.416 3.758 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cccc(O)c1 ZINC000394717609 323092096 /nfs/dbraw/zinc/09/20/96/323092096.db2.gz AFONHPQCNAWJOX-GFCCVEGCSA-N 1 0 235.371 3.869 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cccc(O)c1 ZINC000394717613 323092157 /nfs/dbraw/zinc/09/21/57/323092157.db2.gz AFONHPQCNAWJOX-LBPRGKRZSA-N 1 0 235.371 3.869 20 0 BHADRO c1cc(C[NH2+][C@@H]2CCCC23CCC3)cs1 ZINC000394719372 385877408 /nfs/dbraw/zinc/87/74/08/385877408.db2.gz AMHGFUPLDDPKNR-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1cc(C[NH2+][C@H]2CCCC23CCC3)cs1 ZINC000394719375 262745309 /nfs/dbraw/zinc/74/53/09/262745309.db2.gz AMHGFUPLDDPKNR-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO Cc1cnc(C[NH2+]CCCC2CCCC2)s1 ZINC000394719866 262745298 /nfs/dbraw/zinc/74/52/98/262745298.db2.gz FJXGWRSDVXYFSD-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CCC1([NH2+]Cc2ncc(C)s2)CCCCC1 ZINC000394721924 262745613 /nfs/dbraw/zinc/74/56/13/262745613.db2.gz FXSYHQNLIAOVIY-UHFFFAOYSA-N 1 0 238.400 3.654 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCCC23CCC3)CCC1 ZINC000394724258 385911524 /nfs/dbraw/zinc/91/15/24/385911524.db2.gz HCRHMEUJCWDTRS-AWEZNQCLSA-N 1 0 219.372 3.799 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCCC23CCC3)CCC1 ZINC000394724261 385910558 /nfs/dbraw/zinc/91/05/58/385910558.db2.gz HCRHMEUJCWDTRS-CQSZACIVSA-N 1 0 219.372 3.799 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCC12CCC2 ZINC000394727281 385919532 /nfs/dbraw/zinc/91/95/32/385919532.db2.gz IXFXDQGCBKVIDZ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394727283 385920275 /nfs/dbraw/zinc/92/02/75/385920275.db2.gz IXFXDQGCBKVIDZ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CSCCCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394727541 385919319 /nfs/dbraw/zinc/91/93/19/385919319.db2.gz FRUNYVZIJFBGEB-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCCCC[NH2+][C@H]1CCCC12CCC2 ZINC000394727543 262745599 /nfs/dbraw/zinc/74/55/99/262745599.db2.gz FRUNYVZIJFBGEB-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO Cc1cnc(C[NH2+]CC(C)(C)C(C)(C)C)s1 ZINC000394727803 385919875 /nfs/dbraw/zinc/91/98/75/385919875.db2.gz PFNQQMXDDBQMPP-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394728603 711196122 /nfs/dbraw/zinc/19/61/22/711196122.db2.gz GJFKQFHVANUTGH-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394728605 711196651 /nfs/dbraw/zinc/19/66/51/711196651.db2.gz GJFKQFHVANUTGH-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394728606 711196883 /nfs/dbraw/zinc/19/68/83/711196883.db2.gz GJFKQFHVANUTGH-XQQFMLRXSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394728608 711196125 /nfs/dbraw/zinc/19/61/25/711196125.db2.gz GJFKQFHVANUTGH-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO CCCC1(C[NH2+]Cc2ncc(C)s2)CCC1 ZINC000394730184 323095652 /nfs/dbraw/zinc/09/56/52/323095652.db2.gz MSFKMRZORHXQPF-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCCC12CCC2)OC ZINC000394734335 323096534 /nfs/dbraw/zinc/09/65/34/323096534.db2.gz MWIVRQNKPDJMLQ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCCC12CCC2)OC ZINC000394734337 323096512 /nfs/dbraw/zinc/09/65/12/323096512.db2.gz MWIVRQNKPDJMLQ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394734935 323096431 /nfs/dbraw/zinc/09/64/31/323096431.db2.gz ITRBPBWHPBRHPW-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394734938 323096428 /nfs/dbraw/zinc/09/64/28/323096428.db2.gz ITRBPBWHPBRHPW-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394734941 323096424 /nfs/dbraw/zinc/09/64/24/323096424.db2.gz ITRBPBWHPBRHPW-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394734945 323096528 /nfs/dbraw/zinc/09/65/28/323096528.db2.gz ITRBPBWHPBRHPW-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC23CCC3)CCCS1 ZINC000394736109 323096676 /nfs/dbraw/zinc/09/66/76/323096676.db2.gz JSDQYZNVOSWMHW-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCC23CCC3)CCCS1 ZINC000394736110 323096589 /nfs/dbraw/zinc/09/65/89/323096589.db2.gz JSDQYZNVOSWMHW-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC23CCC3)CCCS1 ZINC000394736112 323096661 /nfs/dbraw/zinc/09/66/61/323096661.db2.gz JSDQYZNVOSWMHW-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCC23CCC3)CCCS1 ZINC000394736113 323096686 /nfs/dbraw/zinc/09/66/86/323096686.db2.gz JSDQYZNVOSWMHW-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO Cc1cnc(C[NH2+]CC2(C)CCCCC2)s1 ZINC000394737616 323096704 /nfs/dbraw/zinc/09/67/04/323096704.db2.gz UPDOECLVLZRRSE-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C1=CC[C@H](C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000394738044 323096737 /nfs/dbraw/zinc/09/67/37/323096737.db2.gz OZHAADYQFGWEET-KBPBESRZSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000394738045 323096699 /nfs/dbraw/zinc/09/66/99/323096699.db2.gz OZHAADYQFGWEET-KGLIPLIRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000394738046 323096709 /nfs/dbraw/zinc/09/67/09/323096709.db2.gz OZHAADYQFGWEET-UONOGXRCSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000394738048 323096706 /nfs/dbraw/zinc/09/67/06/323096706.db2.gz OZHAADYQFGWEET-ZIAGYGMSSA-N 1 0 219.372 3.655 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CCCC12CCC2 ZINC000394742669 386250439 /nfs/dbraw/zinc/25/04/39/386250439.db2.gz SFZHUTJHEGSRTF-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394742670 386250957 /nfs/dbraw/zinc/25/09/57/386250957.db2.gz SFZHUTJHEGSRTF-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1cnc(C[NH2+]CC(C)(C)CC(C)C)s1 ZINC000394743093 350463235 /nfs/dbraw/zinc/46/32/35/350463235.db2.gz IMHZYHXMPGWFLH-UHFFFAOYSA-N 1 0 240.416 3.613 20 0 BHADRO C1[C@@H]([NH2+][C@@H]2CCCC23CCC3)C12CCCC2 ZINC000394743972 323099366 /nfs/dbraw/zinc/09/93/66/323099366.db2.gz OTWOSGBDVLJFTC-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@H]([NH2+][C@@H]2CCCC23CCC3)C12CCCC2 ZINC000394743976 323099363 /nfs/dbraw/zinc/09/93/63/323099363.db2.gz OTWOSGBDVLJFTC-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@@H]([NH2+][C@H]2CCCC23CCC3)C12CCCC2 ZINC000394743977 323099324 /nfs/dbraw/zinc/09/93/24/323099324.db2.gz OTWOSGBDVLJFTC-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1[C@H]([NH2+][C@H]2CCCC23CCC3)C12CCCC2 ZINC000394743978 323099336 /nfs/dbraw/zinc/09/93/36/323099336.db2.gz OTWOSGBDVLJFTC-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO CSC1(C[NH2+][C@@H]2CCCC23CCC3)CCC1 ZINC000394747698 350604945 /nfs/dbraw/zinc/60/49/45/350604945.db2.gz YEPKJCUAQSFPCC-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CSC1(C[NH2+][C@H]2CCCC23CCC3)CCC1 ZINC000394747700 350605132 /nfs/dbraw/zinc/60/51/32/350605132.db2.gz YEPKJCUAQSFPCC-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO C1CC2(C1)CCC[C@H]2[NH2+]C1CCCCC1 ZINC000394748181 350613986 /nfs/dbraw/zinc/61/39/86/350613986.db2.gz YWQVNHOZVPZOKZ-CYBMUJFWSA-N 1 0 207.361 3.632 20 0 BHADRO C1CC2(C1)CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000394748182 350614107 /nfs/dbraw/zinc/61/41/07/350614107.db2.gz YWQVNHOZVPZOKZ-ZDUSSCGKSA-N 1 0 207.361 3.632 20 0 BHADRO CCC1(C[NH2+]Cc2ncc(C)s2)CCCC1 ZINC000394754766 323107571 /nfs/dbraw/zinc/10/75/71/323107571.db2.gz ZCTPZMNMWJJGND-UHFFFAOYSA-N 1 0 238.400 3.512 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCCS1 ZINC000394757877 323107878 /nfs/dbraw/zinc/10/78/78/323107878.db2.gz ZGYHTOSJNHEXII-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCCS1 ZINC000394757878 323107950 /nfs/dbraw/zinc/10/79/50/323107950.db2.gz ZGYHTOSJNHEXII-OLZOCXBDSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCCS1 ZINC000394757879 323107863 /nfs/dbraw/zinc/10/78/63/323107863.db2.gz ZGYHTOSJNHEXII-QWHCGFSZSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCCS1 ZINC000394757880 323107930 /nfs/dbraw/zinc/10/79/30/323107930.db2.gz ZGYHTOSJNHEXII-STQMWFEESA-N 1 0 239.428 3.585 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394758239 323107787 /nfs/dbraw/zinc/10/77/87/323107787.db2.gz CGJOMJLQIQAESB-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394758242 323107935 /nfs/dbraw/zinc/10/79/35/323107935.db2.gz CGJOMJLQIQAESB-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO c1csc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394762102 323108161 /nfs/dbraw/zinc/10/81/61/323108161.db2.gz MZSUJNIQFGCMGE-GFCCVEGCSA-N 1 0 221.369 3.561 20 0 BHADRO c1csc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394762103 323108202 /nfs/dbraw/zinc/10/82/02/323108202.db2.gz MZSUJNIQFGCMGE-LBPRGKRZSA-N 1 0 221.369 3.561 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000394762419 323108249 /nfs/dbraw/zinc/10/82/49/323108249.db2.gz GKZPOCACROWVIY-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000394762422 323108169 /nfs/dbraw/zinc/10/81/69/323108169.db2.gz GKZPOCACROWVIY-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000394763759 323108194 /nfs/dbraw/zinc/10/81/94/323108194.db2.gz HISCYSBMSJMXPM-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000394763761 323108191 /nfs/dbraw/zinc/10/81/91/323108191.db2.gz HISCYSBMSJMXPM-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO CC1(C)CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000394768537 323108527 /nfs/dbraw/zinc/10/85/27/323108527.db2.gz KKVYOAHHWHHEGD-UHFFFAOYSA-N 1 0 245.357 3.838 20 0 BHADRO COc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394771464 323108640 /nfs/dbraw/zinc/10/86/40/323108640.db2.gz MCIQWESFYZJQRR-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO COc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394771469 323108579 /nfs/dbraw/zinc/10/85/79/323108579.db2.gz MCIQWESFYZJQRR-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394771487 323108612 /nfs/dbraw/zinc/10/86/12/323108612.db2.gz BJDGUXBMJYVKTR-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394771495 323108574 /nfs/dbraw/zinc/10/85/74/323108574.db2.gz BJDGUXBMJYVKTR-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394773025 323108569 /nfs/dbraw/zinc/10/85/69/323108569.db2.gz CENZXCXVMNMYIT-JTQLQIEISA-N 1 0 235.293 3.641 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394773029 323108657 /nfs/dbraw/zinc/10/86/57/323108657.db2.gz CENZXCXVMNMYIT-SNVBAGLBSA-N 1 0 235.293 3.641 20 0 BHADRO Fc1cccc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394773197 323108608 /nfs/dbraw/zinc/10/86/08/323108608.db2.gz MZCAKHBJTVDKLB-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394773201 323108564 /nfs/dbraw/zinc/10/85/64/323108564.db2.gz MZCAKHBJTVDKLB-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCCC23CCC3)cs1 ZINC000394773881 323108566 /nfs/dbraw/zinc/10/85/66/323108566.db2.gz CQVMGQYJJUHLLV-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCCC23CCC3)cs1 ZINC000394773883 323108636 /nfs/dbraw/zinc/10/86/36/323108636.db2.gz CQVMGQYJJUHLLV-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000394775851 357377729 /nfs/dbraw/zinc/37/77/29/357377729.db2.gz CJUSEFQAXPLGAL-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000394775853 357377673 /nfs/dbraw/zinc/37/76/73/357377673.db2.gz CJUSEFQAXPLGAL-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000394775855 357377281 /nfs/dbraw/zinc/37/72/81/357377281.db2.gz CJUSEFQAXPLGAL-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000394775858 357377757 /nfs/dbraw/zinc/37/77/57/357377757.db2.gz CJUSEFQAXPLGAL-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Fc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394780499 323108874 /nfs/dbraw/zinc/10/88/74/323108874.db2.gz QRNPOQGVYHVHFV-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394780502 323108774 /nfs/dbraw/zinc/10/87/74/323108774.db2.gz QRNPOQGVYHVHFV-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000394781492 323108759 /nfs/dbraw/zinc/10/87/59/323108759.db2.gz RIJVDOKCRGQWOL-AWEZNQCLSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000394782054 323108844 /nfs/dbraw/zinc/10/88/44/323108844.db2.gz RIJVDOKCRGQWOL-CQSZACIVSA-N 1 0 233.330 3.638 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCCCCC1 ZINC000394783677 323108902 /nfs/dbraw/zinc/10/89/02/323108902.db2.gz SDRXTMOOODULQL-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cscc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394785726 386408775 /nfs/dbraw/zinc/40/87/75/386408775.db2.gz KDURLMDJCSNTMP-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cscc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394785728 386409206 /nfs/dbraw/zinc/40/92/06/386409206.db2.gz KDURLMDJCSNTMP-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC23CCC3)s1 ZINC000394801246 386426025 /nfs/dbraw/zinc/42/60/25/386426025.db2.gz UARPXNATNRSGKB-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC23CCC3)s1 ZINC000394801248 386425540 /nfs/dbraw/zinc/42/55/40/386425540.db2.gz UARPXNATNRSGKB-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO c1csc(CC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394804633 386431768 /nfs/dbraw/zinc/43/17/68/386431768.db2.gz VUDXEVFTELJKGB-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1csc(CC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394804635 323075164 /nfs/dbraw/zinc/07/51/64/323075164.db2.gz VUDXEVFTELJKGB-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000394810615 386439026 /nfs/dbraw/zinc/43/90/26/386439026.db2.gz ZOQGPUQYDCTWHU-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000394810617 386438377 /nfs/dbraw/zinc/43/83/77/386438377.db2.gz ZOQGPUQYDCTWHU-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000394810621 386438068 /nfs/dbraw/zinc/43/80/68/386438068.db2.gz ZOQGPUQYDCTWHU-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000394810623 386438060 /nfs/dbraw/zinc/43/80/60/386438060.db2.gz ZOQGPUQYDCTWHU-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394815579 386445879 /nfs/dbraw/zinc/44/58/79/386445879.db2.gz QYDDTEXMSDUOPM-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394815582 262748887 /nfs/dbraw/zinc/74/88/87/262748887.db2.gz QYDDTEXMSDUOPM-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394821674 262720415 /nfs/dbraw/zinc/72/04/15/262720415.db2.gz PVHUAHKMOUCNNU-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394821677 384979912 /nfs/dbraw/zinc/97/99/12/384979912.db2.gz PVHUAHKMOUCNNU-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000394823433 323085537 /nfs/dbraw/zinc/08/55/37/323085537.db2.gz VQVGDYLLFXUWDH-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000394823752 323085602 /nfs/dbraw/zinc/08/56/02/323085602.db2.gz VQVGDYLLFXUWDH-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000394823755 323085603 /nfs/dbraw/zinc/08/56/03/323085603.db2.gz VQVGDYLLFXUWDH-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000394823756 323085608 /nfs/dbraw/zinc/08/56/08/323085608.db2.gz VQVGDYLLFXUWDH-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCCC(C)(F)F ZINC000394834659 262749567 /nfs/dbraw/zinc/74/95/67/262749567.db2.gz QBKIINTYUYTHKZ-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(F)F ZINC000394834663 386688611 /nfs/dbraw/zinc/68/86/11/386688611.db2.gz QBKIINTYUYTHKZ-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CCCC(C)(F)F ZINC000394834664 262749569 /nfs/dbraw/zinc/74/95/69/262749569.db2.gz QBKIINTYUYTHKZ-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(F)F ZINC000394834665 386687731 /nfs/dbraw/zinc/68/77/31/386687731.db2.gz QBKIINTYUYTHKZ-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCCC12CCC2 ZINC000394839538 410827182 /nfs/dbraw/zinc/82/71/82/410827182.db2.gz YHRNIUAAXXSQTL-GDBMZVCRSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CCCC12CCC2 ZINC000394839544 410825953 /nfs/dbraw/zinc/82/59/53/410825953.db2.gz YHRNIUAAXXSQTL-GOEBONIOSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCCC12CCC2 ZINC000394839552 410826313 /nfs/dbraw/zinc/82/63/13/410826313.db2.gz YHRNIUAAXXSQTL-ZBFHGGJFSA-N 1 0 241.378 3.639 20 0 BHADRO CC(C)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000394857677 357383447 /nfs/dbraw/zinc/38/34/47/357383447.db2.gz ORPLNZFWNQZPDC-UHFFFAOYSA-N 1 0 237.290 3.513 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000394864513 357384919 /nfs/dbraw/zinc/38/49/19/357384919.db2.gz TYHGGDJPXULUBV-UHFFFAOYSA-N 1 0 237.290 3.655 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000394874310 711690813 /nfs/dbraw/zinc/69/08/13/711690813.db2.gz NNRNPIGNDAWWPQ-SSDOTTSWSA-N 1 0 237.290 3.828 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000394880244 323152534 /nfs/dbraw/zinc/15/25/34/323152534.db2.gz ZYYXYIQBXHTOHU-HNNXBMFYSA-N 1 0 229.367 3.542 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000394880245 323152538 /nfs/dbraw/zinc/15/25/38/323152538.db2.gz ZYYXYIQBXHTOHU-OAHLLOKOSA-N 1 0 229.367 3.542 20 0 BHADRO CCc1cnc(C[NH2+]C2(CC)CCCC2)s1 ZINC000394915077 323162805 /nfs/dbraw/zinc/16/28/05/323162805.db2.gz LGVSDSODLOMDII-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cccc(O)c1 ZINC000394943172 386753225 /nfs/dbraw/zinc/75/32/25/386753225.db2.gz GXIUUMJVAKLCET-UHFFFAOYSA-N 1 0 249.398 3.943 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000394943798 386752972 /nfs/dbraw/zinc/75/29/72/386752972.db2.gz DIHHUMGMMVSNBU-BFJAYTPKSA-N 1 0 247.382 3.539 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000394943802 386753251 /nfs/dbraw/zinc/75/32/51/386753251.db2.gz DIHHUMGMMVSNBU-LUYZLQTOSA-N 1 0 247.382 3.539 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000394943806 386752782 /nfs/dbraw/zinc/75/27/82/386752782.db2.gz DIHHUMGMMVSNBU-VDERGJSUSA-N 1 0 247.382 3.539 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000394943809 386753359 /nfs/dbraw/zinc/75/33/59/386753359.db2.gz DIHHUMGMMVSNBU-VRKREXBASA-N 1 0 247.382 3.539 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000394950879 386752740 /nfs/dbraw/zinc/75/27/40/386752740.db2.gz HSZYIQLJKJKUEN-KBPBESRZSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000394950891 386752937 /nfs/dbraw/zinc/75/29/37/386752937.db2.gz HSZYIQLJKJKUEN-KGLIPLIRSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000394950892 386752464 /nfs/dbraw/zinc/75/24/64/386752464.db2.gz HSZYIQLJKJKUEN-UONOGXRCSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000394950893 386752576 /nfs/dbraw/zinc/75/25/76/386752576.db2.gz HSZYIQLJKJKUEN-ZIAGYGMSSA-N 1 0 249.398 3.504 20 0 BHADRO C/C=C\C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000394952256 343925855 /nfs/dbraw/zinc/92/58/55/343925855.db2.gz IUMRJRJFRVVQNN-IHWYPQMZSA-N 1 0 235.758 3.752 20 0 BHADRO C/C=C/C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000394952257 343925822 /nfs/dbraw/zinc/92/58/22/343925822.db2.gz IUMRJRJFRVVQNN-NSCUHMNNSA-N 1 0 235.758 3.752 20 0 BHADRO C/C=C\C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000394953989 711199848 /nfs/dbraw/zinc/19/98/48/711199848.db2.gz JVOGMTOKGYZIIX-DLGQBQFBSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C/C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000394953990 711199616 /nfs/dbraw/zinc/19/96/16/711199616.db2.gz JVOGMTOKGYZIIX-JDGPPOGSSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000394953991 711199390 /nfs/dbraw/zinc/19/93/90/711199390.db2.gz JVOGMTOKGYZIIX-QAVQXKDTSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000394953993 711691227 /nfs/dbraw/zinc/69/12/27/711691227.db2.gz JVOGMTOKGYZIIX-ZZKXABKFSA-N 1 0 237.343 3.528 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000394961586 410829819 /nfs/dbraw/zinc/82/98/19/410829819.db2.gz NSSPWPTWHJXISW-HLPPOEQASA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000394961596 410828916 /nfs/dbraw/zinc/82/89/16/410828916.db2.gz NSSPWPTWHJXISW-ORIJERBGSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000394961597 410829995 /nfs/dbraw/zinc/82/99/95/410829995.db2.gz NSSPWPTWHJXISW-RZLSGREXSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000394961598 410829596 /nfs/dbraw/zinc/82/95/96/410829596.db2.gz NSSPWPTWHJXISW-TTZDDIAXSA-N 1 0 247.382 3.520 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1csc(C)c1 ZINC000394973539 386772077 /nfs/dbraw/zinc/77/20/77/386772077.db2.gz CKVAYFDXRUMQPO-GZTOBOFZSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1csc(C)c1 ZINC000394973541 386772399 /nfs/dbraw/zinc/77/23/99/386772399.db2.gz CKVAYFDXRUMQPO-ISALQUGTSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1csc(C)c1 ZINC000394973542 386773111 /nfs/dbraw/zinc/77/31/11/386773111.db2.gz CKVAYFDXRUMQPO-MVIFTORASA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1csc(C)c1 ZINC000394974114 398292599 /nfs/dbraw/zinc/29/25/99/398292599.db2.gz CKVAYFDXRUMQPO-QRGHLMKCSA-N 1 0 209.358 3.673 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000394975337 386773079 /nfs/dbraw/zinc/77/30/79/386773079.db2.gz TYOSHOMSDISPHD-DOGVGXBMSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000394975340 386772825 /nfs/dbraw/zinc/77/28/25/386772825.db2.gz TYOSHOMSDISPHD-SGUJLRQBSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000394975342 386772461 /nfs/dbraw/zinc/77/24/61/386772461.db2.gz TYOSHOMSDISPHD-WYGGZMRJSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000394975345 386772227 /nfs/dbraw/zinc/77/22/27/386772227.db2.gz TYOSHOMSDISPHD-ZWNMCFTASA-N 1 0 246.379 3.913 20 0 BHADRO Cc1cscc1C[NH2+]Cc1cccc(C)c1F ZINC000394981716 323184954 /nfs/dbraw/zinc/18/49/54/323184954.db2.gz WPXJAGROEXVGJY-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000395025483 344028261 /nfs/dbraw/zinc/02/82/61/344028261.db2.gz FLVKBWJRFQQNDR-IHWYPQMZSA-N 1 0 247.235 3.510 20 0 BHADRO C/C=C/C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000395025484 344028251 /nfs/dbraw/zinc/02/82/51/344028251.db2.gz FLVKBWJRFQQNDR-NSCUHMNNSA-N 1 0 247.235 3.510 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)o1 ZINC000395027511 323185354 /nfs/dbraw/zinc/18/53/54/323185354.db2.gz SYLCBWJSQGEZFT-JTQLQIEISA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C)o1 ZINC000395027513 323185356 /nfs/dbraw/zinc/18/53/56/323185356.db2.gz SYLCBWJSQGEZFT-SNVBAGLBSA-N 1 0 209.333 3.502 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000395038000 487831717 /nfs/dbraw/zinc/83/17/17/487831717.db2.gz XUSBMMKECFYUOC-GXTWGEPZSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCc2cccnc21 ZINC000395038002 487831839 /nfs/dbraw/zinc/83/18/39/487831839.db2.gz XUSBMMKECFYUOC-JSGCOSHPSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCc2cccnc21 ZINC000395038005 487832251 /nfs/dbraw/zinc/83/22/51/487832251.db2.gz XUSBMMKECFYUOC-OCCSQVGLSA-N 1 0 246.398 3.873 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000395038007 487831693 /nfs/dbraw/zinc/83/16/93/487831693.db2.gz XUSBMMKECFYUOC-TZMCWYRMSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)CC(C)(C)C ZINC000395044373 386811092 /nfs/dbraw/zinc/81/10/92/386811092.db2.gz PCZHFOWNIMGVBI-LLVKDONJSA-N 1 0 217.422 3.542 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)CC(C)(C)C ZINC000395044374 386811964 /nfs/dbraw/zinc/81/19/64/386811964.db2.gz PCZHFOWNIMGVBI-NSHDSACASA-N 1 0 217.422 3.542 20 0 BHADRO CC/C=C\C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000395045860 386814258 /nfs/dbraw/zinc/81/42/58/386814258.db2.gz UYUATXWJTHMZNH-ARJAWSKDSA-N 1 0 235.293 3.663 20 0 BHADRO CC/C=C/C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000395045861 386812513 /nfs/dbraw/zinc/81/25/13/386812513.db2.gz UYUATXWJTHMZNH-ONEGZZNKSA-N 1 0 235.293 3.663 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000395048739 711201372 /nfs/dbraw/zinc/20/13/72/711201372.db2.gz QJJZSUKSUIEHJX-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000395048740 711201057 /nfs/dbraw/zinc/20/10/57/711201057.db2.gz QJJZSUKSUIEHJX-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000395048742 711200970 /nfs/dbraw/zinc/20/09/70/711200970.db2.gz QJJZSUKSUIEHJX-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000395048743 711200964 /nfs/dbraw/zinc/20/09/64/711200964.db2.gz QJJZSUKSUIEHJX-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@@H]1C ZINC000395070221 323186785 /nfs/dbraw/zinc/18/67/85/323186785.db2.gz HHHYLQIETGEVML-BYNQJWBRSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@H]1C ZINC000395070222 323186802 /nfs/dbraw/zinc/18/68/02/323186802.db2.gz HHHYLQIETGEVML-CZXHOFHRSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@@H]1C ZINC000395070223 323186750 /nfs/dbraw/zinc/18/67/50/323186750.db2.gz HHHYLQIETGEVML-NMKXLXIOSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@H]1C ZINC000395070224 323186810 /nfs/dbraw/zinc/18/68/10/323186810.db2.gz HHHYLQIETGEVML-UHXUPSOCSA-N 1 0 247.407 3.510 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000395084558 386849989 /nfs/dbraw/zinc/84/99/89/386849989.db2.gz VCRXPBIVLGJPHY-PLNGDYQASA-N 1 0 240.350 3.599 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000395084559 386848709 /nfs/dbraw/zinc/84/87/09/386848709.db2.gz VCRXPBIVLGJPHY-SNAWJCMRSA-N 1 0 240.350 3.599 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000395086338 386855214 /nfs/dbraw/zinc/85/52/14/386855214.db2.gz CXPQNMZJDYOSCR-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC(C)(C)CCOC ZINC000395117271 583041659 /nfs/dbraw/zinc/04/16/59/583041659.db2.gz DYLXTRTVTKUORG-UHFFFAOYSA-N 1 0 243.435 3.855 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cncs1 ZINC000395117487 323187738 /nfs/dbraw/zinc/18/77/38/323187738.db2.gz LLQKMQONZMKAII-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cncs1 ZINC000395117488 323187676 /nfs/dbraw/zinc/18/76/76/323187676.db2.gz LLQKMQONZMKAII-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cncs1 ZINC000395117489 323187689 /nfs/dbraw/zinc/18/76/89/323187689.db2.gz LLQKMQONZMKAII-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cncs1 ZINC000395117490 323187630 /nfs/dbraw/zinc/18/76/30/323187630.db2.gz LLQKMQONZMKAII-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC1(C)CCOCC1 ZINC000395118748 583041842 /nfs/dbraw/zinc/04/18/42/583041842.db2.gz AHICAKHEWBPEMD-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO COCC1([NH2+]CCCC2CCCCC2)CCC1 ZINC000395123598 357413876 /nfs/dbraw/zinc/41/38/76/357413876.db2.gz ANGRESUZFQQAFV-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(F)(F)CC[NH2+]CCCC1CCCCC1 ZINC000395123912 323188191 /nfs/dbraw/zinc/18/81/91/323188191.db2.gz ARWGUHMPGMHOSW-UHFFFAOYSA-N 1 0 233.346 3.982 20 0 BHADRO CO[C@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395124399 711202498 /nfs/dbraw/zinc/20/24/98/711202498.db2.gz AXABXPHMROMFTO-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000395124401 711201867 /nfs/dbraw/zinc/20/18/67/711201867.db2.gz AXABXPHMROMFTO-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395124404 711202304 /nfs/dbraw/zinc/20/23/04/711202304.db2.gz AXABXPHMROMFTO-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000395124406 711202328 /nfs/dbraw/zinc/20/23/28/711202328.db2.gz AXABXPHMROMFTO-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000395124689 323188206 /nfs/dbraw/zinc/18/82/06/323188206.db2.gz VYWQLJOVHBKJED-HIFPTAJRSA-N 1 0 243.460 3.932 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000395124692 323188198 /nfs/dbraw/zinc/18/81/98/323188198.db2.gz VYWQLJOVHBKJED-PNESKVBLSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)[C@H]1CCCO1 ZINC000395126786 357414124 /nfs/dbraw/zinc/41/41/24/357414124.db2.gz CKDNQHJGJLCOCJ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)[C@@H]1CCCO1 ZINC000395126788 357413935 /nfs/dbraw/zinc/41/39/35/357413935.db2.gz CKDNQHJGJLCOCJ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)[C@H]1CCCO1 ZINC000395126790 357414128 /nfs/dbraw/zinc/41/41/28/357414128.db2.gz CKDNQHJGJLCOCJ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)[C@@H]1CCCO1 ZINC000395126791 357414170 /nfs/dbraw/zinc/41/41/70/357414170.db2.gz CKDNQHJGJLCOCJ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000395128005 344090564 /nfs/dbraw/zinc/09/05/64/344090564.db2.gz DZVFASWBZNUWCE-MPJRPATESA-N 1 0 215.749 3.628 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000395128007 344090572 /nfs/dbraw/zinc/09/05/72/344090572.db2.gz DZVFASWBZNUWCE-RTMURIBGSA-N 1 0 215.749 3.628 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000395128008 344090707 /nfs/dbraw/zinc/09/07/07/344090707.db2.gz DZVFASWBZNUWCE-TUUFMJSCSA-N 1 0 215.749 3.628 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000395128010 344090605 /nfs/dbraw/zinc/09/06/05/344090605.db2.gz DZVFASWBZNUWCE-VEMNSZJBSA-N 1 0 215.749 3.628 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@@H]1CCOC1 ZINC000395128198 357413945 /nfs/dbraw/zinc/41/39/45/357413945.db2.gz OTPIMRBYWDCODR-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@H]1CCOC1 ZINC000395128200 357413884 /nfs/dbraw/zinc/41/38/84/357413884.db2.gz OTPIMRBYWDCODR-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO C(C[NH2+]C[C@@H]1CCCCO1)CC1CCCCC1 ZINC000395144789 357418840 /nfs/dbraw/zinc/41/88/40/357418840.db2.gz KWNVEQAOFSDGMY-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[NH2+]C[C@H]1CCCCO1)CC1CCCCC1 ZINC000395144804 357419058 /nfs/dbraw/zinc/41/90/58/357419058.db2.gz KWNVEQAOFSDGMY-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccoc1 ZINC000395145450 357419336 /nfs/dbraw/zinc/41/93/36/357419336.db2.gz UZHMBHBUXMOIQC-GHMZBOCLSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccoc1 ZINC000395145452 357419452 /nfs/dbraw/zinc/41/94/52/357419452.db2.gz UZHMBHBUXMOIQC-MNOVXSKESA-N 1 0 209.333 3.755 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccoc1 ZINC000395145453 357419354 /nfs/dbraw/zinc/41/93/54/357419354.db2.gz UZHMBHBUXMOIQC-QWRGUYRKSA-N 1 0 209.333 3.755 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccoc1 ZINC000395145455 357418850 /nfs/dbraw/zinc/41/88/50/357418850.db2.gz UZHMBHBUXMOIQC-WDEREUQCSA-N 1 0 209.333 3.755 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000395146312 386946774 /nfs/dbraw/zinc/94/67/74/386946774.db2.gz VGXUVEKMUFHXHT-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000395146314 262765698 /nfs/dbraw/zinc/76/56/98/262765698.db2.gz VGXUVEKMUFHXHT-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000395150547 386948985 /nfs/dbraw/zinc/94/89/85/386948985.db2.gz WTXXDVOAQMQVSL-NEPJUHHUSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000395150549 262765990 /nfs/dbraw/zinc/76/59/90/262765990.db2.gz WTXXDVOAQMQVSL-NWDGAFQWSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000395150551 262766076 /nfs/dbraw/zinc/76/60/76/262766076.db2.gz WTXXDVOAQMQVSL-RYUDHWBXSA-N 1 0 229.408 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000395150553 386948120 /nfs/dbraw/zinc/94/81/20/386948120.db2.gz WTXXDVOAQMQVSL-VXGBXAGGSA-N 1 0 229.408 3.604 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000395151174 357421442 /nfs/dbraw/zinc/42/14/42/357421442.db2.gz MDYHWMPHLPKAPM-UHFFFAOYSA-N 1 0 249.785 3.927 20 0 BHADRO COCc1ccccc1C[NH2+][C@H](C)CC(C)(C)C ZINC000395159848 386950685 /nfs/dbraw/zinc/95/06/85/386950685.db2.gz ZKJJDZCMDVOIFH-CYBMUJFWSA-N 1 0 249.398 3.747 20 0 BHADRO COCc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C ZINC000395159850 386950525 /nfs/dbraw/zinc/95/05/25/386950525.db2.gz ZKJJDZCMDVOIFH-ZDUSSCGKSA-N 1 0 249.398 3.747 20 0 BHADRO C1=CO[C@H](C[NH2+]CCCC2CCCCC2)CC1 ZINC000395160562 711203339 /nfs/dbraw/zinc/20/33/39/711203339.db2.gz SQUYQPLSZHNBPR-HNNXBMFYSA-N 1 0 237.387 3.629 20 0 BHADRO C1=CO[C@@H](C[NH2+]CCCC2CCCCC2)CC1 ZINC000395160563 711203329 /nfs/dbraw/zinc/20/33/29/711203329.db2.gz SQUYQPLSZHNBPR-OAHLLOKOSA-N 1 0 237.387 3.629 20 0 BHADRO Oc1cccc(C[NH2+]CCCC2CCCCC2)c1 ZINC000395161206 386953609 /nfs/dbraw/zinc/95/36/09/386953609.db2.gz TXBLNXVGMJCVCB-UHFFFAOYSA-N 1 0 247.382 3.842 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@](C)(OC)C1CC1 ZINC000395163170 386952245 /nfs/dbraw/zinc/95/22/45/386952245.db2.gz VFLRUOCTPKORRM-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000395163171 386951503 /nfs/dbraw/zinc/95/15/03/386951503.db2.gz VFLRUOCTPKORRM-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000395163187 386952424 /nfs/dbraw/zinc/95/24/24/386952424.db2.gz AQZNEJWXQZDNAJ-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000395164010 386954510 /nfs/dbraw/zinc/95/45/10/386954510.db2.gz BKGVQNLSHBYJSS-UHFFFAOYSA-N 1 0 239.309 3.902 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000395165313 262766351 /nfs/dbraw/zinc/76/63/51/262766351.db2.gz CHTAANZMKVKHAX-LLVKDONJSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000395165316 386954003 /nfs/dbraw/zinc/95/40/03/386954003.db2.gz CHTAANZMKVKHAX-NSHDSACASA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395165333 386953911 /nfs/dbraw/zinc/95/39/11/386953911.db2.gz CITAIDHCTHYOOL-AWEZNQCLSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395165335 386953816 /nfs/dbraw/zinc/95/38/16/386953816.db2.gz CITAIDHCTHYOOL-CQSZACIVSA-N 1 0 231.383 3.786 20 0 BHADRO CC1(C)CC([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000395165369 386953601 /nfs/dbraw/zinc/95/36/01/386953601.db2.gz CKOGNYPVMIAQCQ-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccsc1 ZINC000395165372 357415961 /nfs/dbraw/zinc/41/59/61/357415961.db2.gz CLMBRVOKOFNDLZ-GFCCVEGCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccsc1 ZINC000395165373 357415517 /nfs/dbraw/zinc/41/55/17/357415517.db2.gz CLMBRVOKOFNDLZ-LBPRGKRZSA-N 1 0 223.385 3.977 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC(C)(C)CCCO ZINC000395166072 357416163 /nfs/dbraw/zinc/41/61/63/357416163.db2.gz LKGSZYHCTDQJIM-UHFFFAOYSA-N 1 0 243.435 3.591 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000395166730 386954280 /nfs/dbraw/zinc/95/42/80/386954280.db2.gz CZDYCPZOPRDNCJ-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000395166731 262766517 /nfs/dbraw/zinc/76/65/17/262766517.db2.gz CZDYCPZOPRDNCJ-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO CCCOc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000395168202 386954546 /nfs/dbraw/zinc/95/45/46/386954546.db2.gz FIOZYCMBOJNKTM-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395168590 357415772 /nfs/dbraw/zinc/41/57/72/357415772.db2.gz FKGDCPJDGXZHHD-JTQLQIEISA-N 1 0 223.385 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395168593 357416155 /nfs/dbraw/zinc/41/61/55/357416155.db2.gz FKGDCPJDGXZHHD-SNVBAGLBSA-N 1 0 223.385 3.896 20 0 BHADRO CC[C@]1([NH2+]CCCC2CCCCC2)CCOC1 ZINC000395168601 583046496 /nfs/dbraw/zinc/04/64/96/583046496.db2.gz YKSKHQUBJBJYBN-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO CC[C@@]1([NH2+]CCCC2CCCCC2)CCOC1 ZINC000395168604 583046208 /nfs/dbraw/zinc/04/62/08/583046208.db2.gz YKSKHQUBJBJYBN-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000395168778 386953716 /nfs/dbraw/zinc/95/37/16/386953716.db2.gz FSRBCEMITMICSL-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)C1 ZINC000395169663 711204331 /nfs/dbraw/zinc/20/43/31/711204331.db2.gz GOFWHZXEYGMWOG-LLVKDONJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)C1 ZINC000395169664 711204700 /nfs/dbraw/zinc/20/47/00/711204700.db2.gz GOFWHZXEYGMWOG-NSHDSACASA-N 1 0 235.346 3.535 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000395171051 386962354 /nfs/dbraw/zinc/96/23/54/386962354.db2.gz CYAIALQJGVGGJM-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000395171053 386961626 /nfs/dbraw/zinc/96/16/26/386961626.db2.gz CYAIALQJGVGGJM-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000395171058 386962217 /nfs/dbraw/zinc/96/22/17/386962217.db2.gz CYAIALQJGVGGJM-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000395171064 386961962 /nfs/dbraw/zinc/96/19/62/386961962.db2.gz CYAIALQJGVGGJM-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO c1coc(CC[NH2+]CCCC2CCCCC2)c1 ZINC000395171443 357416089 /nfs/dbraw/zinc/41/60/89/357416089.db2.gz MSXQEXMXWGBEAN-UHFFFAOYSA-N 1 0 235.371 3.772 20 0 BHADRO CC1([NH2+]CCCC2CCCCC2)CCOCC1 ZINC000395171826 357415990 /nfs/dbraw/zinc/41/59/90/357415990.db2.gz AOGVFXWKDURACM-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccccc2)[C@@H]1C ZINC000395172446 410839878 /nfs/dbraw/zinc/83/98/78/410839878.db2.gz XLIGEJWTKYIAIB-FMKPAKJESA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)C1)CC2 ZINC000395172447 357415549 /nfs/dbraw/zinc/41/55/49/357415549.db2.gz IEINKXGOKZZXEN-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)[C@@H]1C ZINC000395172448 410840612 /nfs/dbraw/zinc/84/06/12/410840612.db2.gz XLIGEJWTKYIAIB-IIAWOOMASA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)C1)CC2 ZINC000395172451 357416117 /nfs/dbraw/zinc/41/61/17/357416117.db2.gz IEINKXGOKZZXEN-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)[C@H]1C ZINC000395172452 410840699 /nfs/dbraw/zinc/84/06/99/410840699.db2.gz XLIGEJWTKYIAIB-IJEWVQPXSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccccc2)[C@H]1C ZINC000395172457 410840420 /nfs/dbraw/zinc/84/04/20/410840420.db2.gz XLIGEJWTKYIAIB-YCPHGPKFSA-N 1 0 231.383 3.643 20 0 BHADRO CC1(C)CC([NH2+]Cc2cccc3cnccc32)C1 ZINC000395173303 487841262 /nfs/dbraw/zinc/84/12/62/487841262.db2.gz IUIGAHPGCFSWRA-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)OCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000395174585 410840621 /nfs/dbraw/zinc/84/06/21/410840621.db2.gz BNZXSBQCOWJONE-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)OCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395174588 410840219 /nfs/dbraw/zinc/84/02/19/410840219.db2.gz BNZXSBQCOWJONE-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000395175106 487841764 /nfs/dbraw/zinc/84/17/64/487841764.db2.gz JSHJWGPMBCKRJI-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CSCC1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000395176086 386959644 /nfs/dbraw/zinc/95/96/44/386959644.db2.gz KEEHKPBFAQLQDJ-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000395176202 357416158 /nfs/dbraw/zinc/41/61/58/357416158.db2.gz KIFQTDNXTCXBBA-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1c(F)cccc1F ZINC000395176868 262766761 /nfs/dbraw/zinc/76/67/61/262766761.db2.gz KLRJDEWIZHCPSP-SECBINFHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1c(F)cccc1F ZINC000395176873 386960130 /nfs/dbraw/zinc/96/01/30/386960130.db2.gz KLRJDEWIZHCPSP-VIFPVBQESA-N 1 0 239.309 3.804 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@@H]1CCCCO1 ZINC000395176896 633829178 /nfs/dbraw/zinc/82/91/78/633829178.db2.gz GITWCUUXKGFJBL-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@H]1CCCCO1 ZINC000395176897 633828014 /nfs/dbraw/zinc/82/80/14/633828014.db2.gz GITWCUUXKGFJBL-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000395177049 357415474 /nfs/dbraw/zinc/41/54/74/357415474.db2.gz KRKGRACYXIJDJH-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCCC(C)(C)CO ZINC000395177422 633829084 /nfs/dbraw/zinc/82/90/84/633829084.db2.gz OHLHUHROXGOEFW-UHFFFAOYSA-N 1 0 243.435 3.591 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395178742 386959539 /nfs/dbraw/zinc/95/95/39/386959539.db2.gz LXNHTHJKGYFUBN-LLVKDONJSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395178744 262767008 /nfs/dbraw/zinc/76/70/08/262767008.db2.gz LXNHTHJKGYFUBN-NSHDSACASA-N 1 0 233.355 3.534 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CSCc3ccccc32)C1 ZINC000395178792 583048706 /nfs/dbraw/zinc/04/87/06/583048706.db2.gz LZZUZBQEOSZPMH-AWEZNQCLSA-N 1 0 247.407 3.753 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000395178794 583048339 /nfs/dbraw/zinc/04/83/39/583048339.db2.gz LZZUZBQEOSZPMH-CQSZACIVSA-N 1 0 247.407 3.753 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000395179054 386961495 /nfs/dbraw/zinc/96/14/95/386961495.db2.gz ACQZSLHJCFVRPQ-WDEREUQCSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(C)C2)cs1 ZINC000395179100 357416951 /nfs/dbraw/zinc/41/69/51/357416951.db2.gz AFEOZNDOHQMUIG-JTQLQIEISA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)C2)cs1 ZINC000395179103 357416825 /nfs/dbraw/zinc/41/68/25/357416825.db2.gz AFEOZNDOHQMUIG-SNVBAGLBSA-N 1 0 223.385 3.896 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395179609 386963913 /nfs/dbraw/zinc/96/39/13/386963913.db2.gz MHYHAJFPHVOZRT-GFCCVEGCSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395179613 386964056 /nfs/dbraw/zinc/96/40/56/386964056.db2.gz MHYHAJFPHVOZRT-LBPRGKRZSA-N 1 0 247.382 3.925 20 0 BHADRO COCCCCC[NH2+]CCCC1CCCCC1 ZINC000395180074 357416836 /nfs/dbraw/zinc/41/68/36/357416836.db2.gz QKHAMUIOBDXIGT-UHFFFAOYSA-N 1 0 241.419 3.753 20 0 BHADRO CC1(C)CC([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000395180312 633830722 /nfs/dbraw/zinc/83/07/22/633830722.db2.gz MVVNBMWZFZNSBV-UHFFFAOYSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1F ZINC000395180453 386963112 /nfs/dbraw/zinc/96/31/12/386963112.db2.gz NASBUMLFEMIZLO-SECBINFHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1F ZINC000395180455 386965953 /nfs/dbraw/zinc/96/59/53/386965953.db2.gz NASBUMLFEMIZLO-VIFPVBQESA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000395181894 386970704 /nfs/dbraw/zinc/97/07/04/386970704.db2.gz OAQIYYGCJWUPFO-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000395182286 262767834 /nfs/dbraw/zinc/76/78/34/262767834.db2.gz OGPNJLJLCDKYQX-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO CC1(C)CC([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000395182392 633831437 /nfs/dbraw/zinc/83/14/37/633831437.db2.gz OQAAMFKGSUJZJI-UHFFFAOYSA-N 1 0 247.357 3.850 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CC(C)(C)C2)c(C)s1 ZINC000395183118 487842023 /nfs/dbraw/zinc/84/20/23/487842023.db2.gz PIQDMJOTZUDJIA-MRVPVSSYSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CC(C)(C)C2)c(C)s1 ZINC000395183506 487841504 /nfs/dbraw/zinc/84/15/04/487841504.db2.gz PIQDMJOTZUDJIA-QMMMGPOBSA-N 1 0 238.400 3.599 20 0 BHADRO CC1(C)CC([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000395183658 386971065 /nfs/dbraw/zinc/97/10/65/386971065.db2.gz PTYZFRPUKTVUFC-UHFFFAOYSA-N 1 0 229.367 3.711 20 0 BHADRO Cc1ccncc1C[NH2+]CCCC1CCCCC1 ZINC000395184550 386967946 /nfs/dbraw/zinc/96/79/46/386967946.db2.gz HUIBKQUHDDWHIE-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C1CC(C)(C)C1 ZINC000395185745 386967463 /nfs/dbraw/zinc/96/74/63/386967463.db2.gz ROQWIZWNYSEYCD-LLVKDONJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C1CC(C)(C)C1 ZINC000395185746 386967491 /nfs/dbraw/zinc/96/74/91/386967491.db2.gz ROQWIZWNYSEYCD-NSHDSACASA-N 1 0 235.346 3.535 20 0 BHADRO CC1(C)CC([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000395185778 633829701 /nfs/dbraw/zinc/82/97/01/633829701.db2.gz RRYZUSXBJWHWIG-UHFFFAOYSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000395186201 357417198 /nfs/dbraw/zinc/41/71/98/357417198.db2.gz SBNPXQHHPTZIIF-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC([NH2+]CCCOC2CCCCC2)C1 ZINC000395186288 386970071 /nfs/dbraw/zinc/97/00/71/386970071.db2.gz SLFSYAOMCNAWPI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000395186596 633830147 /nfs/dbraw/zinc/83/01/47/633830147.db2.gz SPHVXIMFMBFSAC-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000395187414 487841803 /nfs/dbraw/zinc/84/18/03/487841803.db2.gz UJZYPOBKBOPHEC-CYBMUJFWSA-N 1 0 249.785 3.585 20 0 BHADRO CC1(C)CC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000395187423 487841321 /nfs/dbraw/zinc/84/13/21/487841321.db2.gz UJZYPOBKBOPHEC-ZDUSSCGKSA-N 1 0 249.785 3.585 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000395188002 357417203 /nfs/dbraw/zinc/41/72/03/357417203.db2.gz VCGMUTVLOKWZOP-HNNXBMFYSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000395188004 357416627 /nfs/dbraw/zinc/41/66/27/357416627.db2.gz VCGMUTVLOKWZOP-OAHLLOKOSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)OCCC[NH2+]CCCC1CCCCC1 ZINC000395188688 357417229 /nfs/dbraw/zinc/41/72/29/357417229.db2.gz XHFFBCHXJACMGU-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000395189019 386971760 /nfs/dbraw/zinc/97/17/60/386971760.db2.gz WBGVOVJNCQQZTF-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000395189023 386971843 /nfs/dbraw/zinc/97/18/43/386971843.db2.gz WBGVOVJNCQQZTF-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]CCC(C)(F)F)c1 ZINC000395189440 386971110 /nfs/dbraw/zinc/97/11/10/386971110.db2.gz XWFQAENGCBVFIT-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C)(C)C2)o1 ZINC000395190956 357416530 /nfs/dbraw/zinc/41/65/30/357416530.db2.gz XQRGWRJVPPJTLN-GWCFXTLKSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC(C)(C)C2)o1 ZINC000395190957 357417001 /nfs/dbraw/zinc/41/70/01/357417001.db2.gz XQRGWRJVPPJTLN-GXFFZTMASA-N 1 0 233.355 3.681 20 0 BHADRO 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/nfs/dbraw/zinc/79/99/51/386799951.db2.gz FTCZKSBLTWKKTN-UHFFFAOYSA-N 1 0 231.383 3.742 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395259050 323223671 /nfs/dbraw/zinc/22/36/71/323223671.db2.gz IDFBPNAMXVIIBO-GFCCVEGCSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395259051 323223652 /nfs/dbraw/zinc/22/36/52/323223652.db2.gz IDFBPNAMXVIIBO-LBPRGKRZSA-N 1 0 247.382 3.843 20 0 BHADRO CCc1ccc([C@@H]([NH2+]C[C@H](C)OC)C(C)C)cc1 ZINC000395260678 357430490 /nfs/dbraw/zinc/43/04/90/357430490.db2.gz XEJKOOSNDLAKDC-BBRMVZONSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@@H]([NH2+]C[C@@H](C)OC)C(C)C)cc1 ZINC000395260683 357430472 /nfs/dbraw/zinc/43/04/72/357430472.db2.gz XEJKOOSNDLAKDC-CJNGLKHVSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H]([NH2+]C[C@@H](C)OC)C(C)C)cc1 ZINC000395260688 357430382 /nfs/dbraw/zinc/43/03/82/357430382.db2.gz XEJKOOSNDLAKDC-CZUORRHYSA-N 1 0 249.398 3.571 20 0 BHADRO CCc1ccc([C@H]([NH2+]C[C@H](C)OC)C(C)C)cc1 ZINC000395260691 357430525 /nfs/dbraw/zinc/43/05/25/357430525.db2.gz XEJKOOSNDLAKDC-XJKSGUPXSA-N 1 0 249.398 3.571 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1OC ZINC000395263955 711693460 /nfs/dbraw/zinc/69/34/60/711693460.db2.gz KWWIHTINHPRELR-AWEZNQCLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1OC ZINC000395263961 711693603 /nfs/dbraw/zinc/69/36/03/711693603.db2.gz KWWIHTINHPRELR-CQSZACIVSA-N 1 0 247.382 3.925 20 0 BHADRO CO[C@@](C)(C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000395273754 262785461 /nfs/dbraw/zinc/78/54/61/262785461.db2.gz OXGORWPMDZFLKB-BBRMVZONSA-N 1 0 249.398 3.572 20 0 BHADRO CO[C@@](C)(C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000395273756 386802560 /nfs/dbraw/zinc/80/25/60/386802560.db2.gz OXGORWPMDZFLKB-CJNGLKHVSA-N 1 0 249.398 3.572 20 0 BHADRO CO[C@](C)(C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000395273757 386803939 /nfs/dbraw/zinc/80/39/39/386803939.db2.gz OXGORWPMDZFLKB-CZUORRHYSA-N 1 0 249.398 3.572 20 0 BHADRO CO[C@](C)(C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000395273759 386802058 /nfs/dbraw/zinc/80/20/58/386802058.db2.gz OXGORWPMDZFLKB-XJKSGUPXSA-N 1 0 249.398 3.572 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)C1 ZINC000395279689 357431325 /nfs/dbraw/zinc/43/13/25/357431325.db2.gz BKIAIXNIPWOMLZ-LLVKDONJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)C1 ZINC000395279690 357430958 /nfs/dbraw/zinc/43/09/58/357430958.db2.gz BKIAIXNIPWOMLZ-NSHDSACASA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395280246 386806343 /nfs/dbraw/zinc/80/63/43/386806343.db2.gz BYACFLRQNVUFKW-CYBMUJFWSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395280248 386805895 /nfs/dbraw/zinc/80/58/95/386805895.db2.gz BYACFLRQNVUFKW-ZDUSSCGKSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(OC)cc1 ZINC000395289274 386804546 /nfs/dbraw/zinc/80/45/46/386804546.db2.gz JBLNHWCJOMYDQO-HNNXBMFYSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(OC)cc1 ZINC000395289275 386806094 /nfs/dbraw/zinc/80/60/94/386806094.db2.gz JBLNHWCJOMYDQO-OAHLLOKOSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)cc1F ZINC000395296969 386811481 /nfs/dbraw/zinc/81/14/81/386811481.db2.gz NZARHTNLZFFLKC-LLVKDONJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)cc1F ZINC000395296972 262786090 /nfs/dbraw/zinc/78/60/90/262786090.db2.gz NZARHTNLZFFLKC-NSHDSACASA-N 1 0 235.346 3.973 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395299746 357423107 /nfs/dbraw/zinc/42/31/07/357423107.db2.gz QBYCUZHRTIBYJX-GFCCVEGCSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395299749 357423076 /nfs/dbraw/zinc/42/30/76/357423076.db2.gz QBYCUZHRTIBYJX-LBPRGKRZSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395302695 386808655 /nfs/dbraw/zinc/80/86/55/386808655.db2.gz RVOXZTAJBMWEES-CYBMUJFWSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000395302699 386807450 /nfs/dbraw/zinc/80/74/50/386807450.db2.gz RVOXZTAJBMWEES-ZDUSSCGKSA-N 1 0 231.383 3.704 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000395302830 262785791 /nfs/dbraw/zinc/78/57/91/262785791.db2.gz SAULCMWQHMMPMX-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000395302831 386808211 /nfs/dbraw/zinc/80/82/11/386808211.db2.gz SAULCMWQHMMPMX-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000395303364 386808718 /nfs/dbraw/zinc/80/87/18/386808718.db2.gz SIPQIJQEVLKKJE-HNNXBMFYSA-N 1 0 229.367 3.916 20 0 BHADRO CC1(C)CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000395303365 386809497 /nfs/dbraw/zinc/80/94/97/386809497.db2.gz SIPQIJQEVLKKJE-OAHLLOKOSA-N 1 0 229.367 3.916 20 0 BHADRO CC1(C)CC(Nc2cccc3ccncc32)C1 ZINC000395304159 357422710 /nfs/dbraw/zinc/42/27/10/357422710.db2.gz SXBHEXBWTLFMSB-UHFFFAOYSA-N 1 0 226.323 3.835 20 0 BHADRO CCOCc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000395304928 386808805 /nfs/dbraw/zinc/80/88/05/386808805.db2.gz UDVABSXLDMOWGS-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@H](CC[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000395307353 262786365 /nfs/dbraw/zinc/78/63/65/262786365.db2.gz VSJUITQTOYZVOP-CYBMUJFWSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CC[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000395307356 386810984 /nfs/dbraw/zinc/81/09/84/386810984.db2.gz VSJUITQTOYZVOP-ZDUSSCGKSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1ccc(OC[C@@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395309758 711207543 /nfs/dbraw/zinc/20/75/43/711207543.db2.gz XRZSZAZXOUERRD-CYBMUJFWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(OC[C@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000395309759 711207433 /nfs/dbraw/zinc/20/74/33/711207433.db2.gz XRZSZAZXOUERRD-ZDUSSCGKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cocc1-c1cccc(C[NH2+]C(C)C)c1 ZINC000395326105 362463256 /nfs/dbraw/zinc/46/32/56/362463256.db2.gz PBBXQELSRHMOQL-UHFFFAOYSA-N 1 0 229.323 3.753 20 0 BHADRO CSCC1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000395329459 386816981 /nfs/dbraw/zinc/81/69/81/386816981.db2.gz QZILDWQKTMIQTE-MOKVOYLWSA-N 1 0 239.428 3.607 20 0 BHADRO CSCC1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000395329464 386817127 /nfs/dbraw/zinc/81/71/27/386817127.db2.gz QZILDWQKTMIQTE-ROKHWSDSSA-N 1 0 239.428 3.607 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C(C)C)cc1)[C@@H](C)O ZINC000395350722 386817608 /nfs/dbraw/zinc/81/76/08/386817608.db2.gz LZRLPUZFQFEBCK-IOASZLSFSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C(C)C)cc1)[C@H](C)O ZINC000395350725 386816252 /nfs/dbraw/zinc/81/62/52/386816252.db2.gz LZRLPUZFQFEBCK-WWGRRREGSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C(C)C)cc1)[C@H](C)O ZINC000395350728 262786772 /nfs/dbraw/zinc/78/67/72/262786772.db2.gz LZRLPUZFQFEBCK-XEZPLFJOSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C(C)C)cc1)[C@@H](C)O ZINC000395350730 386816626 /nfs/dbraw/zinc/81/66/26/386816626.db2.gz LZRLPUZFQFEBCK-ZENOOKHLSA-N 1 0 249.398 3.620 20 0 BHADRO Cc1cnccc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000395355431 357428480 /nfs/dbraw/zinc/42/84/80/357428480.db2.gz DCKKOADJVZBCHY-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000395361959 386822542 /nfs/dbraw/zinc/82/25/42/386822542.db2.gz FVRAGJROWSDSEX-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000395361961 262787303 /nfs/dbraw/zinc/78/73/03/262787303.db2.gz FVRAGJROWSDSEX-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000395361963 386823272 /nfs/dbraw/zinc/82/32/72/386823272.db2.gz FVRAGJROWSDSEX-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000395361965 386822843 /nfs/dbraw/zinc/82/28/43/386822843.db2.gz FVRAGJROWSDSEX-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000395364650 386821147 /nfs/dbraw/zinc/82/11/47/386821147.db2.gz HJSAVNNVALMVKW-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000395364653 386823041 /nfs/dbraw/zinc/82/30/41/386823041.db2.gz HJSAVNNVALMVKW-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000395364656 262787297 /nfs/dbraw/zinc/78/72/97/262787297.db2.gz HJSAVNNVALMVKW-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000395364658 386823335 /nfs/dbraw/zinc/82/33/35/386823335.db2.gz HJSAVNNVALMVKW-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCOC)C1CCCCC1 ZINC000395376629 633845625 /nfs/dbraw/zinc/84/56/25/633845625.db2.gz OCYSYXZQRBTDEW-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCOC)C1CCCCC1 ZINC000395376631 633846531 /nfs/dbraw/zinc/84/65/31/633846531.db2.gz OCYSYXZQRBTDEW-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCOC)C1CCCCC1 ZINC000395376995 633846595 /nfs/dbraw/zinc/84/65/95/633846595.db2.gz OCYSYXZQRBTDEW-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCOC)C1CCCCC1 ZINC000395376999 633845867 /nfs/dbraw/zinc/84/58/67/633845867.db2.gz OCYSYXZQRBTDEW-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO C[NH2+]Cc1ccc(-c2sccc2C)cc1C ZINC000395398675 362542382 /nfs/dbraw/zinc/54/23/82/362542382.db2.gz BJPCEKRVPMOHHB-UHFFFAOYSA-N 1 0 231.364 3.751 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)CC(C)C)CC1 ZINC000395413700 386827682 /nfs/dbraw/zinc/82/76/82/386827682.db2.gz YMGZWPQHKPSJSJ-HSBZDZAISA-N 1 0 243.460 3.932 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)CC(C)C)CC1 ZINC000395413703 262787489 /nfs/dbraw/zinc/78/74/89/262787489.db2.gz YMGZWPQHKPSJSJ-IYXRBSQSSA-N 1 0 243.460 3.932 20 0 BHADRO C[NH2+]Cc1ccc(-c2csc(C)c2)cc1C ZINC000395434010 362587942 /nfs/dbraw/zinc/58/79/42/362587942.db2.gz NUJTWAMLZRCLJD-UHFFFAOYSA-N 1 0 231.364 3.751 20 0 BHADRO CC[C@H]([NH2+]Cc1ccncc1C)C1CCCCC1 ZINC000395434260 410850793 /nfs/dbraw/zinc/85/07/93/410850793.db2.gz HNZYYTYKFAAKLW-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccncc1C)C1CCCCC1 ZINC000395434261 410850627 /nfs/dbraw/zinc/85/06/27/410850627.db2.gz HNZYYTYKFAAKLW-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO COCCC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000395442871 386833410 /nfs/dbraw/zinc/83/34/10/386833410.db2.gz CTYHJQSKRYNFKW-AWEZNQCLSA-N 1 0 249.398 3.715 20 0 BHADRO COCCC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000395442872 386835278 /nfs/dbraw/zinc/83/52/78/386835278.db2.gz CTYHJQSKRYNFKW-CQSZACIVSA-N 1 0 249.398 3.715 20 0 BHADRO CCCCC[NH2+]C1CCC(CSC)CC1 ZINC000395450966 323226667 /nfs/dbraw/zinc/22/66/67/323226667.db2.gz OEMKFAHZRKMTIZ-UHFFFAOYSA-N 1 0 229.433 3.688 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000395469768 357442521 /nfs/dbraw/zinc/44/25/21/357442521.db2.gz UNAPYKVOUZOTES-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000395469772 357442169 /nfs/dbraw/zinc/44/21/69/357442169.db2.gz UNAPYKVOUZOTES-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000395469774 357442471 /nfs/dbraw/zinc/44/24/71/357442471.db2.gz UNAPYKVOUZOTES-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000395469777 357442421 /nfs/dbraw/zinc/44/24/21/357442421.db2.gz UNAPYKVOUZOTES-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO CSCC1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000395490570 262788472 /nfs/dbraw/zinc/78/84/72/262788472.db2.gz YVCHTGGMRCYUCK-HIFPTAJRSA-N 1 0 229.433 3.542 20 0 BHADRO CSCC1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000395490573 386846237 /nfs/dbraw/zinc/84/62/37/386846237.db2.gz YVCHTGGMRCYUCK-PNESKVBLSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)C1CCCC1 ZINC000395549647 387016943 /nfs/dbraw/zinc/01/69/43/387016943.db2.gz SOZMYOSVCZQGIF-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)C1CCCC1 ZINC000395549649 387017015 /nfs/dbraw/zinc/01/70/15/387017015.db2.gz SOZMYOSVCZQGIF-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000395570850 323231090 /nfs/dbraw/zinc/23/10/90/323231090.db2.gz MUOJUMGAFACIDR-TUAOUCFPSA-N 1 0 223.385 3.753 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000395570854 323231102 /nfs/dbraw/zinc/23/11/02/323231102.db2.gz MUOJUMGAFACIDR-UTUOFQBUSA-N 1 0 223.385 3.753 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000395627031 583062421 /nfs/dbraw/zinc/06/24/21/583062421.db2.gz ABNVOGXCZCXZQI-INIZCTEOSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000395627033 583062506 /nfs/dbraw/zinc/06/25/06/583062506.db2.gz ABNVOGXCZCXZQI-MRXNPFEDSA-N 1 0 241.378 3.986 20 0 BHADRO CC[C@@H]([NH2+]CCCC(F)(F)F)C1CCCC1 ZINC000395643282 323234478 /nfs/dbraw/zinc/23/44/78/323234478.db2.gz URZRIPCWWALRLN-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]([NH2+]CCCC(F)(F)F)C1CCCC1 ZINC000395643287 323234416 /nfs/dbraw/zinc/23/44/16/323234416.db2.gz URZRIPCWWALRLN-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1F ZINC000395654325 323235552 /nfs/dbraw/zinc/23/55/52/323235552.db2.gz URETXGJWSOVXHM-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1F ZINC000395654326 323235495 /nfs/dbraw/zinc/23/54/95/323235495.db2.gz URETXGJWSOVXHM-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c(C)o1 ZINC000395654616 323235373 /nfs/dbraw/zinc/23/53/73/323235373.db2.gz UROWGNUXIQXMJZ-BXUZGUMPSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC23CCCC3)c(C)o1 ZINC000395654617 323235348 /nfs/dbraw/zinc/23/53/48/323235348.db2.gz UROWGNUXIQXMJZ-FZMZJTMJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC23CCCC3)c(C)o1 ZINC000395654619 323235931 /nfs/dbraw/zinc/23/59/31/323235931.db2.gz UROWGNUXIQXMJZ-RISCZKNCSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC23CCCC3)c(C)o1 ZINC000395654620 323235589 /nfs/dbraw/zinc/23/55/89/323235589.db2.gz UROWGNUXIQXMJZ-SMDDNHRTSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC23CCCC3)c(C)c1 ZINC000395662194 323236039 /nfs/dbraw/zinc/23/60/39/323236039.db2.gz SHFQGUYTDQAHRV-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)c(C)c1 ZINC000395662200 323236420 /nfs/dbraw/zinc/23/64/20/323236420.db2.gz SHFQGUYTDQAHRV-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(F)c1 ZINC000395663223 323236417 /nfs/dbraw/zinc/23/64/17/323236417.db2.gz ZVPSITZAXPGJKA-BXUZGUMPSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc(F)c1 ZINC000395663227 323236349 /nfs/dbraw/zinc/23/63/49/323236349.db2.gz ZVPSITZAXPGJKA-FZMZJTMJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(F)c1 ZINC000395663230 323236422 /nfs/dbraw/zinc/23/64/22/323236422.db2.gz ZVPSITZAXPGJKA-RISCZKNCSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(F)c1 ZINC000395663233 323236316 /nfs/dbraw/zinc/23/63/16/323236316.db2.gz ZVPSITZAXPGJKA-SMDDNHRTSA-N 1 0 233.330 3.809 20 0 BHADRO CC[C@H]([NH2+]CCCCOC(C)C)C1CCCC1 ZINC000395683133 356375941 /nfs/dbraw/zinc/37/59/41/356375941.db2.gz ORPNZLFHVHILGJ-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC(C)C)C1CCCC1 ZINC000395683135 356375890 /nfs/dbraw/zinc/37/58/90/356375890.db2.gz ORPNZLFHVHILGJ-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=CCC1)C1CCCC1 ZINC000395697706 387311385 /nfs/dbraw/zinc/31/13/85/387311385.db2.gz JPNBYOUPWCHNRA-KBPBESRZSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CCC1)C1CCCC1 ZINC000395697707 262791391 /nfs/dbraw/zinc/79/13/91/262791391.db2.gz JPNBYOUPWCHNRA-KGLIPLIRSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=CCC1)C1CCCC1 ZINC000395697709 262791306 /nfs/dbraw/zinc/79/13/06/262791306.db2.gz JPNBYOUPWCHNRA-UONOGXRCSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)C1CCCC1 ZINC000395697710 387311492 /nfs/dbraw/zinc/31/14/92/387311492.db2.gz JPNBYOUPWCHNRA-ZIAGYGMSSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)C1CCCC1 ZINC000395778999 262792251 /nfs/dbraw/zinc/79/22/51/262792251.db2.gz OOBZTGIYHXZGBJ-CYBMUJFWSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)C1CCCC1 ZINC000395779000 387415979 /nfs/dbraw/zinc/41/59/79/387415979.db2.gz OOBZTGIYHXZGBJ-ZDUSSCGKSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000395790399 344564065 /nfs/dbraw/zinc/56/40/65/344564065.db2.gz UEJRRSYTSUMAEW-INIZCTEOSA-N 1 0 242.366 3.569 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000395790400 344563675 /nfs/dbraw/zinc/56/36/75/344563675.db2.gz UEJRRSYTSUMAEW-MRXNPFEDSA-N 1 0 242.366 3.569 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000395953267 711217768 /nfs/dbraw/zinc/21/77/68/711217768.db2.gz ZLQCYCKMFJSPME-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000395953270 711217619 /nfs/dbraw/zinc/21/76/19/711217619.db2.gz ZLQCYCKMFJSPME-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)OCC(C)(C)[NH2+]C[C@H](C)c1ccccc1 ZINC000396331449 490105523 /nfs/dbraw/zinc/10/55/23/490105523.db2.gz GRLUZCOCYIIYEG-AWEZNQCLSA-N 1 0 249.398 3.583 20 0 BHADRO CC(C)OCC(C)(C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000396331451 490105462 /nfs/dbraw/zinc/10/54/62/490105462.db2.gz GRLUZCOCYIIYEG-CQSZACIVSA-N 1 0 249.398 3.583 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)COC(C)C)c1C ZINC000396345527 323310430 /nfs/dbraw/zinc/31/04/30/323310430.db2.gz PHZDIEMHYIPDTP-UHFFFAOYSA-N 1 0 249.398 3.597 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccccc1 ZINC000396433286 410908154 /nfs/dbraw/zinc/90/81/54/410908154.db2.gz WBUFBJOPNXHTKK-BZUAXINKSA-N 1 0 247.382 3.685 20 0 BHADRO CCC(CC)[C@H]([NH2+]C1CSC1)c1ccccc1 ZINC000396453799 583082757 /nfs/dbraw/zinc/08/27/57/583082757.db2.gz LCSUGFUQTDIJGW-HNNXBMFYSA-N 1 0 249.423 3.869 20 0 BHADRO CCC(CC)[C@@H]([NH2+]C1CSC1)c1ccccc1 ZINC000396453802 583082678 /nfs/dbraw/zinc/08/26/78/583082678.db2.gz LCSUGFUQTDIJGW-OAHLLOKOSA-N 1 0 249.423 3.869 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1C ZINC000396549861 386771627 /nfs/dbraw/zinc/77/16/27/386771627.db2.gz RKFLDPWDJKBIMI-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1C ZINC000396549864 386771014 /nfs/dbraw/zinc/77/10/14/386771014.db2.gz RKFLDPWDJKBIMI-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1C ZINC000396549868 262805566 /nfs/dbraw/zinc/80/55/66/262805566.db2.gz RKFLDPWDJKBIMI-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1C ZINC000396549869 386771799 /nfs/dbraw/zinc/77/17/99/386771799.db2.gz RKFLDPWDJKBIMI-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396561988 386778218 /nfs/dbraw/zinc/77/82/18/386778218.db2.gz WVLYVDQPFKVJMF-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396561991 386778444 /nfs/dbraw/zinc/77/84/44/386778444.db2.gz WVLYVDQPFKVJMF-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396561994 386778729 /nfs/dbraw/zinc/77/87/29/386778729.db2.gz WVLYVDQPFKVJMF-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396561997 386778569 /nfs/dbraw/zinc/77/85/69/386778569.db2.gz WVLYVDQPFKVJMF-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(C)c1 ZINC000396571295 487984234 /nfs/dbraw/zinc/98/42/34/487984234.db2.gz ZPUHACXJIRTVDH-CABCVRRESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C)c1 ZINC000396571298 487984681 /nfs/dbraw/zinc/98/46/81/487984681.db2.gz ZPUHACXJIRTVDH-GJZGRUSLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(C)c1 ZINC000396571301 487984702 /nfs/dbraw/zinc/98/47/02/487984702.db2.gz ZPUHACXJIRTVDH-HUUCEWRRSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C)c1 ZINC000396571304 487984443 /nfs/dbraw/zinc/98/44/43/487984443.db2.gz ZPUHACXJIRTVDH-LSDHHAIUSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(C)cc1 ZINC000396840406 262823316 /nfs/dbraw/zinc/82/33/16/262823316.db2.gz CHOUHTZNPHAQAC-CABCVRRESA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(C)cc1 ZINC000396840408 387499065 /nfs/dbraw/zinc/49/90/65/387499065.db2.gz CHOUHTZNPHAQAC-GJZGRUSLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(C)cc1 ZINC000396840411 262823004 /nfs/dbraw/zinc/82/30/04/262823004.db2.gz CHOUHTZNPHAQAC-HUUCEWRRSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(C)cc1 ZINC000396840413 387499530 /nfs/dbraw/zinc/49/95/30/387499530.db2.gz CHOUHTZNPHAQAC-LSDHHAIUSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(C)c1 ZINC000396844943 387500505 /nfs/dbraw/zinc/50/05/05/387500505.db2.gz GETDAYXVYGMGGZ-KBPBESRZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(C)c1 ZINC000396844946 387501977 /nfs/dbraw/zinc/50/19/77/387501977.db2.gz GETDAYXVYGMGGZ-KGLIPLIRSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c(C)c1 ZINC000396844951 387501915 /nfs/dbraw/zinc/50/19/15/387501915.db2.gz GETDAYXVYGMGGZ-UONOGXRCSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c(C)c1 ZINC000396844955 387500607 /nfs/dbraw/zinc/50/06/07/387500607.db2.gz GETDAYXVYGMGGZ-ZIAGYGMSSA-N 1 0 247.382 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000396858164 262824817 /nfs/dbraw/zinc/82/48/17/262824817.db2.gz SFAFMBKYYRXJGX-CABCVRRESA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000396858166 387504957 /nfs/dbraw/zinc/50/49/57/387504957.db2.gz SFAFMBKYYRXJGX-GJZGRUSLSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000396858168 387505523 /nfs/dbraw/zinc/50/55/23/387505523.db2.gz SFAFMBKYYRXJGX-HUUCEWRRSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000396858169 387504732 /nfs/dbraw/zinc/50/47/32/387504732.db2.gz SFAFMBKYYRXJGX-LSDHHAIUSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396861225 487534242 /nfs/dbraw/zinc/53/42/42/487534242.db2.gz VNAIEXJSEXNLOQ-KBPBESRZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396861228 488040846 /nfs/dbraw/zinc/04/08/46/488040846.db2.gz VNAIEXJSEXNLOQ-KGLIPLIRSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396861231 488040421 /nfs/dbraw/zinc/04/04/21/488040421.db2.gz VNAIEXJSEXNLOQ-UONOGXRCSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396861233 488040342 /nfs/dbraw/zinc/04/03/42/488040342.db2.gz VNAIEXJSEXNLOQ-ZIAGYGMSSA-N 1 0 247.382 3.522 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000396865133 387506735 /nfs/dbraw/zinc/50/67/35/387506735.db2.gz XFTBTLVBOJCJEL-CABCVRRESA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000396865138 387506979 /nfs/dbraw/zinc/50/69/79/387506979.db2.gz XFTBTLVBOJCJEL-GJZGRUSLSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000396865142 387508178 /nfs/dbraw/zinc/50/81/78/387508178.db2.gz XFTBTLVBOJCJEL-HUUCEWRRSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000396865146 387507821 /nfs/dbraw/zinc/50/78/21/387507821.db2.gz XFTBTLVBOJCJEL-LSDHHAIUSA-N 1 0 247.382 3.541 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000396890519 262826171 /nfs/dbraw/zinc/82/61/71/262826171.db2.gz AQYPBMKLOVPTAH-NXEZZACHSA-N 1 0 225.298 3.601 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396890520 387514178 /nfs/dbraw/zinc/51/41/78/387514178.db2.gz AQYPBMKLOVPTAH-UWVGGRQHSA-N 1 0 225.298 3.601 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000396890521 262826112 /nfs/dbraw/zinc/82/61/12/262826112.db2.gz AQYPBMKLOVPTAH-VHSXEESVSA-N 1 0 225.298 3.601 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396890522 387513559 /nfs/dbraw/zinc/51/35/59/387513559.db2.gz AQYPBMKLOVPTAH-ZJUUUORDSA-N 1 0 225.298 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC000396898120 387510183 /nfs/dbraw/zinc/51/01/83/387510183.db2.gz AJDPASHTQPULHR-GHMZBOCLSA-N 1 0 235.293 3.521 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC000396898121 387508779 /nfs/dbraw/zinc/50/87/79/387508779.db2.gz AJDPASHTQPULHR-MNOVXSKESA-N 1 0 235.293 3.521 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC000396898122 387510415 /nfs/dbraw/zinc/51/04/15/387510415.db2.gz AJDPASHTQPULHR-QWRGUYRKSA-N 1 0 235.293 3.521 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC000396898123 387508786 /nfs/dbraw/zinc/50/87/86/387508786.db2.gz AJDPASHTQPULHR-WDEREUQCSA-N 1 0 235.293 3.521 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCCC1)CC(F)(F)F ZINC000396901781 387511470 /nfs/dbraw/zinc/51/14/70/387511470.db2.gz FUSWGPYULMIZAZ-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCC1)CC(F)(F)F ZINC000396901782 387511990 /nfs/dbraw/zinc/51/19/90/387511990.db2.gz FUSWGPYULMIZAZ-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CCCC1 ZINC000396901783 387512117 /nfs/dbraw/zinc/51/21/17/387512117.db2.gz FUSWGPYULMIZAZ-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)CC(F)(F)F ZINC000396901784 262825534 /nfs/dbraw/zinc/82/55/34/262825534.db2.gz FUSWGPYULMIZAZ-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCC1)CC(F)(F)F ZINC000396903018 262825754 /nfs/dbraw/zinc/82/57/54/262825754.db2.gz HCLFBVDHCNRBOW-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCC1)CC(F)(F)F ZINC000396903020 387511879 /nfs/dbraw/zinc/51/18/79/387511879.db2.gz HCLFBVDHCNRBOW-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CC(F)(F)F ZINC000396903443 262825542 /nfs/dbraw/zinc/82/55/42/262825542.db2.gz HOXMDWYRSMDZOS-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CC(F)(F)F ZINC000396903444 387511321 /nfs/dbraw/zinc/51/13/21/387511321.db2.gz HOXMDWYRSMDZOS-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CC(F)(F)F ZINC000396903445 387510970 /nfs/dbraw/zinc/51/09/70/387510970.db2.gz HOXMDWYRSMDZOS-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CC(F)(F)F ZINC000396903447 387511290 /nfs/dbraw/zinc/51/12/90/387511290.db2.gz HOXMDWYRSMDZOS-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CC(F)(F)F ZINC000396903917 387511737 /nfs/dbraw/zinc/51/17/37/387511737.db2.gz IFFUZTGIPBRMPE-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)CC(F)(F)F ZINC000396903919 387510857 /nfs/dbraw/zinc/51/08/57/387510857.db2.gz IFFUZTGIPBRMPE-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CC(F)(F)F ZINC000396903921 262825525 /nfs/dbraw/zinc/82/55/25/262825525.db2.gz IFFUZTGIPBRMPE-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CC(F)(F)F ZINC000396903923 387511129 /nfs/dbraw/zinc/51/11/29/387511129.db2.gz IFFUZTGIPBRMPE-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)CC(F)(F)F ZINC000396904554 387511444 /nfs/dbraw/zinc/51/14/44/387511444.db2.gz ISIYCDZIKPCBDQ-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)CC(F)(F)F ZINC000396904556 387511786 /nfs/dbraw/zinc/51/17/86/387511786.db2.gz ISIYCDZIKPCBDQ-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)CC(F)(F)F ZINC000396904558 387511814 /nfs/dbraw/zinc/51/18/14/387511814.db2.gz ISIYCDZIKPCBDQ-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)CC(F)(F)F ZINC000396904560 387510771 /nfs/dbraw/zinc/51/07/71/387510771.db2.gz ISIYCDZIKPCBDQ-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396905852 387512324 /nfs/dbraw/zinc/51/23/24/387512324.db2.gz JXMWVCDIEGQNQK-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396905853 387511071 /nfs/dbraw/zinc/51/10/71/387511071.db2.gz JXMWVCDIEGQNQK-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396905854 387510755 /nfs/dbraw/zinc/51/07/55/387510755.db2.gz JXMWVCDIEGQNQK-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396905856 387511287 /nfs/dbraw/zinc/51/12/87/387511287.db2.gz JXMWVCDIEGQNQK-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)CC(F)(F)F ZINC000396907518 262826006 /nfs/dbraw/zinc/82/60/06/262826006.db2.gz LLNBGVURHIGXLF-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC1(C)C)CC(F)(F)F ZINC000396907519 387511479 /nfs/dbraw/zinc/51/14/79/387511479.db2.gz LLNBGVURHIGXLF-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)CC(F)(F)F ZINC000396907521 387511432 /nfs/dbraw/zinc/51/14/32/387511432.db2.gz LLNBGVURHIGXLF-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC1(C)C)CC(F)(F)F ZINC000396907522 262826029 /nfs/dbraw/zinc/82/60/29/262826029.db2.gz LLNBGVURHIGXLF-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CC1CCC1)CC(F)(F)F ZINC000396909178 488061871 /nfs/dbraw/zinc/06/18/71/488061871.db2.gz MUWUPXCEERVXKF-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC1CCC1)CC(F)(F)F ZINC000396909180 488062009 /nfs/dbraw/zinc/06/20/09/488062009.db2.gz MUWUPXCEERVXKF-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396909183 488061942 /nfs/dbraw/zinc/06/19/42/488061942.db2.gz MUWUPXCEERVXKF-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC1CCC1)CC(F)(F)F ZINC000396909185 488061950 /nfs/dbraw/zinc/06/19/50/488061950.db2.gz MUWUPXCEERVXKF-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)CC(F)(F)F ZINC000396909644 357486620 /nfs/dbraw/zinc/48/66/20/357486620.db2.gz NIDFEEAPIKAHLV-BDAKNGLRSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccoc1 ZINC000396909645 357486612 /nfs/dbraw/zinc/48/66/12/357486612.db2.gz NIDFEEAPIKAHLV-DTWKUNHWSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccoc1)CC(F)(F)F ZINC000396909646 357486671 /nfs/dbraw/zinc/48/66/71/357486671.db2.gz NIDFEEAPIKAHLV-IUCAKERBSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccoc1)CC(F)(F)F ZINC000396909647 357486665 /nfs/dbraw/zinc/48/66/65/357486665.db2.gz NIDFEEAPIKAHLV-RKDXNWHRSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCC1)CC(F)(F)F ZINC000396910316 387512824 /nfs/dbraw/zinc/51/28/24/387512824.db2.gz NWYVOQXUTYFNDV-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCC1)CC(F)(F)F ZINC000396910318 387514167 /nfs/dbraw/zinc/51/41/67/387514167.db2.gz NWYVOQXUTYFNDV-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000396911052 488064361 /nfs/dbraw/zinc/06/43/61/488064361.db2.gz OOYIBWLJLYKNRN-NXEZZACHSA-N 1 0 239.325 3.847 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)CC(F)(F)F)C(C)(C)C ZINC000396911053 488064409 /nfs/dbraw/zinc/06/44/09/488064409.db2.gz OOYIBWLJLYKNRN-UWVGGRQHSA-N 1 0 239.325 3.847 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000396911057 488064422 /nfs/dbraw/zinc/06/44/22/488064422.db2.gz OOYIBWLJLYKNRN-VHSXEESVSA-N 1 0 239.325 3.847 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)CC(F)(F)F ZINC000396911059 488064285 /nfs/dbraw/zinc/06/42/85/488064285.db2.gz OOYIBWLJLYKNRN-ZJUUUORDSA-N 1 0 239.325 3.847 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)CC(F)(F)F ZINC000396912353 387514092 /nfs/dbraw/zinc/51/40/92/387514092.db2.gz PYTHZNYZIDWPOF-BDAKNGLRSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccco1 ZINC000396912354 387513070 /nfs/dbraw/zinc/51/30/70/387513070.db2.gz PYTHZNYZIDWPOF-DTWKUNHWSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccco1)CC(F)(F)F ZINC000396912355 387513884 /nfs/dbraw/zinc/51/38/84/387513884.db2.gz PYTHZNYZIDWPOF-IUCAKERBSA-N 1 0 235.249 3.519 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccco1)CC(F)(F)F ZINC000396912357 387513103 /nfs/dbraw/zinc/51/31/03/387513103.db2.gz PYTHZNYZIDWPOF-RKDXNWHRSA-N 1 0 235.249 3.519 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H](C)CC(F)(F)F)C1 ZINC000396913395 387513346 /nfs/dbraw/zinc/51/33/46/387513346.db2.gz QSWZTXWQABBNSG-KPPDAEKUSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H](C)CC(F)(F)F)C1 ZINC000396913400 387512901 /nfs/dbraw/zinc/51/29/01/387512901.db2.gz QSWZTXWQABBNSG-WHXUTIOJSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)CC1)CC(F)(F)F ZINC000396914354 262826591 /nfs/dbraw/zinc/82/65/91/262826591.db2.gz RQRUYRJRDMNCQO-HSOILSAZSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)CC1)CC(F)(F)F ZINC000396914357 262826453 /nfs/dbraw/zinc/82/64/53/262826453.db2.gz RQRUYRJRDMNCQO-YVNMAJEFSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396921952 357486846 /nfs/dbraw/zinc/48/68/46/357486846.db2.gz ZTBSHLQAUVXRJH-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CC(F)(F)F ZINC000396921953 357486951 /nfs/dbraw/zinc/48/69/51/357486951.db2.gz ZTBSHLQAUVXRJH-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396921954 357486622 /nfs/dbraw/zinc/48/66/22/357486622.db2.gz ZTBSHLQAUVXRJH-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CC(F)(F)F ZINC000396921956 357486915 /nfs/dbraw/zinc/48/69/15/357486915.db2.gz ZTBSHLQAUVXRJH-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000396924017 262827154 /nfs/dbraw/zinc/82/71/54/262827154.db2.gz INLWUYCCSINWNG-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396924019 387515390 /nfs/dbraw/zinc/51/53/90/387515390.db2.gz INLWUYCCSINWNG-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)C(C)C ZINC000396925370 262827164 /nfs/dbraw/zinc/82/71/64/262827164.db2.gz JLZLFFIMWTXKKV-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C(C)C ZINC000396925371 262827351 /nfs/dbraw/zinc/82/73/51/262827351.db2.gz JLZLFFIMWTXKKV-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C(C)C ZINC000396925372 387515619 /nfs/dbraw/zinc/51/56/19/387515619.db2.gz JLZLFFIMWTXKKV-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)C(C)C ZINC000396925373 387517858 /nfs/dbraw/zinc/51/78/58/387517858.db2.gz JLZLFFIMWTXKKV-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396928020 387513957 /nfs/dbraw/zinc/51/39/57/387513957.db2.gz LQONEYMVMPGBNU-GUBZILKMSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396928021 387513930 /nfs/dbraw/zinc/51/39/30/387513930.db2.gz LQONEYMVMPGBNU-KXUCPTDWSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396928022 387512817 /nfs/dbraw/zinc/51/28/17/387512817.db2.gz LQONEYMVMPGBNU-LPEHRKFASA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396928023 387513275 /nfs/dbraw/zinc/51/32/75/387513275.db2.gz LQONEYMVMPGBNU-UTLUCORTSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)C)CC(F)(F)F ZINC000396928973 387513764 /nfs/dbraw/zinc/51/37/64/387513764.db2.gz MHIFEMHFHIPIMM-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)C)CC(F)(F)F ZINC000396928974 262826114 /nfs/dbraw/zinc/82/61/14/262826114.db2.gz MHIFEMHFHIPIMM-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CC(C)(C)C)CC(F)(F)F ZINC000396937203 262828525 /nfs/dbraw/zinc/82/85/25/262828525.db2.gz ATRCKSBGABCWAZ-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)CC(F)(F)F ZINC000396937204 387521216 /nfs/dbraw/zinc/52/12/16/387521216.db2.gz ATRCKSBGABCWAZ-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396937667 387520985 /nfs/dbraw/zinc/52/09/85/387520985.db2.gz ATRCKSBGABCWAZ-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)CC(F)(F)F ZINC000396937670 387521595 /nfs/dbraw/zinc/52/15/95/387521595.db2.gz ATRCKSBGABCWAZ-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396943107 387518310 /nfs/dbraw/zinc/51/83/10/387518310.db2.gz VLAOGGXKEHQFHY-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396943108 387518219 /nfs/dbraw/zinc/51/82/19/387518219.db2.gz VLAOGGXKEHQFHY-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396943111 262827709 /nfs/dbraw/zinc/82/77/09/262827709.db2.gz VLAOGGXKEHQFHY-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396943112 262827811 /nfs/dbraw/zinc/82/78/11/262827811.db2.gz VLAOGGXKEHQFHY-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396946969 387518375 /nfs/dbraw/zinc/51/83/75/387518375.db2.gz YDWTUYBRISQTTJ-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396946970 387517165 /nfs/dbraw/zinc/51/71/65/387517165.db2.gz YDWTUYBRISQTTJ-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396946971 387517752 /nfs/dbraw/zinc/51/77/52/387517752.db2.gz YDWTUYBRISQTTJ-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396946972 387517845 /nfs/dbraw/zinc/51/78/45/387517845.db2.gz YDWTUYBRISQTTJ-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396947530 387519977 /nfs/dbraw/zinc/51/99/77/387519977.db2.gz YXRMLKXRNIYGPY-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396947531 387520204 /nfs/dbraw/zinc/52/02/04/387520204.db2.gz YXRMLKXRNIYGPY-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396947797 388104607 /nfs/dbraw/zinc/10/46/07/388104607.db2.gz YXRMLKXRNIYGPY-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396947798 387519867 /nfs/dbraw/zinc/51/98/67/387519867.db2.gz YXRMLKXRNIYGPY-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1F)CC(F)(F)F ZINC000396952079 387520938 /nfs/dbraw/zinc/52/09/38/387520938.db2.gz BVLWQNBOBNDQAX-SECBINFHSA-N 1 0 249.251 3.504 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1F)CC(F)(F)F ZINC000396952080 387520773 /nfs/dbraw/zinc/52/07/73/387520773.db2.gz BVLWQNBOBNDQAX-VIFPVBQESA-N 1 0 249.251 3.504 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000396956977 711374509 /nfs/dbraw/zinc/37/45/09/711374509.db2.gz VIJCJEKOSSXRPK-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000396956978 711374016 /nfs/dbraw/zinc/37/40/16/711374016.db2.gz VIJCJEKOSSXRPK-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)CCC(C)C)cn1 ZINC000396964456 387523727 /nfs/dbraw/zinc/52/37/27/387523727.db2.gz APGWMSLYCMKDMG-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)CCC(C)C)cn1 ZINC000396964457 262828873 /nfs/dbraw/zinc/82/88/73/262828873.db2.gz APGWMSLYCMKDMG-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccsc2)cn1 ZINC000396968907 262829016 /nfs/dbraw/zinc/82/90/16/262829016.db2.gz DWCGSZRPPUVKGA-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccsc2)cn1 ZINC000396968909 387522890 /nfs/dbraw/zinc/52/28/90/387522890.db2.gz DWCGSZRPPUVKGA-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)c2cccs2)cn1 ZINC000396973310 387524932 /nfs/dbraw/zinc/52/49/32/387524932.db2.gz IBDITYSOKYRDMM-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)c2cccs2)cn1 ZINC000396973311 387525655 /nfs/dbraw/zinc/52/56/55/387525655.db2.gz IBDITYSOKYRDMM-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1)CC(F)(F)F ZINC000396973823 262829772 /nfs/dbraw/zinc/82/97/72/262829772.db2.gz DQZUZPVKGCBOSE-SECBINFHSA-N 1 0 249.251 3.504 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(F)cc1)CC(F)(F)F ZINC000396973824 387524700 /nfs/dbraw/zinc/52/47/00/387524700.db2.gz DQZUZPVKGCBOSE-VIFPVBQESA-N 1 0 249.251 3.504 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396973832 387525344 /nfs/dbraw/zinc/52/53/44/387525344.db2.gz DRGBXTKCMQNZNA-JTQLQIEISA-N 1 0 245.288 3.673 20 0 BHADRO Cc1ccccc1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000396973833 262829500 /nfs/dbraw/zinc/82/95/00/262829500.db2.gz DRGBXTKCMQNZNA-SNVBAGLBSA-N 1 0 245.288 3.673 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)cc1 ZINC000396974257 387524421 /nfs/dbraw/zinc/52/44/21/387524421.db2.gz DTZAXUOOHWYKMK-LLVKDONJSA-N 1 0 245.288 3.673 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)cc1 ZINC000396974260 262829509 /nfs/dbraw/zinc/82/95/09/262829509.db2.gz DTZAXUOOHWYKMK-NSHDSACASA-N 1 0 245.288 3.673 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)CC(F)(F)F ZINC000396977509 387524840 /nfs/dbraw/zinc/52/48/40/387524840.db2.gz SOTCYYZJZLRYNF-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CCC2)CC(F)(F)F ZINC000396977510 387525454 /nfs/dbraw/zinc/52/54/54/387525454.db2.gz SOTCYYZJZLRYNF-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CCC2)CC(F)(F)F ZINC000396977511 387524523 /nfs/dbraw/zinc/52/45/23/387524523.db2.gz SOTCYYZJZLRYNF-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CCC2)CC(F)(F)F ZINC000396977512 387525072 /nfs/dbraw/zinc/52/50/72/387525072.db2.gz SOTCYYZJZLRYNF-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cnc(C)cc1C ZINC000396979614 387524835 /nfs/dbraw/zinc/52/48/35/387524835.db2.gz MRKCQMUPRBNNCL-HNNXBMFYSA-N 1 0 234.387 3.757 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cnc(C)cc1C ZINC000396979615 387525750 /nfs/dbraw/zinc/52/57/50/387525750.db2.gz MRKCQMUPRBNNCL-OAHLLOKOSA-N 1 0 234.387 3.757 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000396983756 711374371 /nfs/dbraw/zinc/37/43/71/711374371.db2.gz PSLKUVTZDMVGKH-CYBMUJFWSA-N 1 0 234.387 3.757 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000396983758 711374888 /nfs/dbraw/zinc/37/48/88/711374888.db2.gz PSLKUVTZDMVGKH-ZDUSSCGKSA-N 1 0 234.387 3.757 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000396983990 387529543 /nfs/dbraw/zinc/52/95/43/387529543.db2.gz LEYUOXQMGZYCKX-LLVKDONJSA-N 1 0 245.288 3.673 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000396983992 387528510 /nfs/dbraw/zinc/52/85/10/387528510.db2.gz LEYUOXQMGZYCKX-NSHDSACASA-N 1 0 245.288 3.673 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)o1 ZINC000396987913 387529001 /nfs/dbraw/zinc/52/90/01/387529001.db2.gz NHBBVVFFZGTYQP-SECBINFHSA-N 1 0 249.276 3.520 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)o1 ZINC000396987915 387528392 /nfs/dbraw/zinc/52/83/92/387528392.db2.gz NHBBVVFFZGTYQP-VIFPVBQESA-N 1 0 249.276 3.520 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CCC1 ZINC000396989139 387528457 /nfs/dbraw/zinc/52/84/57/387528457.db2.gz BIYYHSVKPAOCJP-GXSJLCMTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CCC1 ZINC000396989140 262830291 /nfs/dbraw/zinc/83/02/91/262830291.db2.gz BIYYHSVKPAOCJP-KOLCDFICSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CCC1 ZINC000396989141 262829920 /nfs/dbraw/zinc/82/99/20/262829920.db2.gz BIYYHSVKPAOCJP-MWLCHTKSSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CCC1 ZINC000396989142 387528434 /nfs/dbraw/zinc/52/84/34/387528434.db2.gz BIYYHSVKPAOCJP-ONGXEEELSA-N 1 0 237.309 3.743 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cnc(C)cc1C ZINC000396996703 398168787 /nfs/dbraw/zinc/16/87/87/398168787.db2.gz XLSGCJILXQQWNZ-UHFFFAOYSA-N 1 0 234.387 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000397003140 262831139 /nfs/dbraw/zinc/83/11/39/262831139.db2.gz FXMDLKUCLGKGDY-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000397003143 387528672 /nfs/dbraw/zinc/52/86/72/387528672.db2.gz FXMDLKUCLGKGDY-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(F)c1)CC(F)(F)F ZINC000397005537 487536706 /nfs/dbraw/zinc/53/67/06/487536706.db2.gz VUNIBNUYBCHKNV-SECBINFHSA-N 1 0 249.251 3.504 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(F)c1)CC(F)(F)F ZINC000397005541 487536787 /nfs/dbraw/zinc/53/67/87/487536787.db2.gz VUNIBNUYBCHKNV-VIFPVBQESA-N 1 0 249.251 3.504 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)o1 ZINC000397008948 398167847 /nfs/dbraw/zinc/16/78/47/398167847.db2.gz XFEQQDAHUKFTEV-PSASIEDQSA-N 1 0 249.276 3.827 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)o1 ZINC000397008950 398167809 /nfs/dbraw/zinc/16/78/09/398167809.db2.gz XFEQQDAHUKFTEV-SCZZXKLOSA-N 1 0 249.276 3.827 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)o1 ZINC000397008951 398168201 /nfs/dbraw/zinc/16/82/01/398168201.db2.gz XFEQQDAHUKFTEV-WCBMZHEXSA-N 1 0 249.276 3.827 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)o1 ZINC000397008953 262830438 /nfs/dbraw/zinc/83/04/38/262830438.db2.gz XFEQQDAHUKFTEV-WPRPVWTQSA-N 1 0 249.276 3.827 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000397013136 398168288 /nfs/dbraw/zinc/16/82/88/398168288.db2.gz ZGTKSEZSAWNADL-GHMZBOCLSA-N 1 0 239.325 3.847 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000397013137 262830453 /nfs/dbraw/zinc/83/04/53/262830453.db2.gz ZGTKSEZSAWNADL-MNOVXSKESA-N 1 0 239.325 3.847 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000397013139 398167818 /nfs/dbraw/zinc/16/78/18/398167818.db2.gz ZGTKSEZSAWNADL-QWRGUYRKSA-N 1 0 239.325 3.847 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000397013140 398167845 /nfs/dbraw/zinc/16/78/45/398167845.db2.gz ZGTKSEZSAWNADL-WDEREUQCSA-N 1 0 239.325 3.847 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)CC(C)(C)C)cn1 ZINC000397018747 387531061 /nfs/dbraw/zinc/53/10/61/387531061.db2.gz GFFLRXVSGPUJJE-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)CC(C)(C)C)cn1 ZINC000397018749 387532132 /nfs/dbraw/zinc/53/21/32/387532132.db2.gz GFFLRXVSGPUJJE-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@@H]1C[C@H]1C ZINC000397021680 387531388 /nfs/dbraw/zinc/53/13/88/387531388.db2.gz RSJDPRMVWSKIGC-DBIOUOCHSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@H]1C[C@@H]1C ZINC000397021681 387531972 /nfs/dbraw/zinc/53/19/72/387531972.db2.gz RSJDPRMVWSKIGC-RCWTZXSCSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@@H]1C[C@@H]1C ZINC000397021682 387531441 /nfs/dbraw/zinc/53/14/41/387531441.db2.gz RSJDPRMVWSKIGC-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000397021683 387532043 /nfs/dbraw/zinc/53/20/43/387532043.db2.gz RSJDPRMVWSKIGC-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(C)cc1C)C1CCC1 ZINC000397024632 387531772 /nfs/dbraw/zinc/53/17/72/387531772.db2.gz ITUGKBOOIIJPQC-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(C)cc1C)C1CCC1 ZINC000397024637 262831956 /nfs/dbraw/zinc/83/19/56/262831956.db2.gz ITUGKBOOIIJPQC-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCCC23CCC3)cn1 ZINC000397031658 387533526 /nfs/dbraw/zinc/53/35/26/387533526.db2.gz LVZUGCZHLVBZFM-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCCC23CCC3)cn1 ZINC000397031659 387533942 /nfs/dbraw/zinc/53/39/42/387533942.db2.gz LVZUGCZHLVBZFM-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCCCCC2)cn1 ZINC000397032335 262831648 /nfs/dbraw/zinc/83/16/48/262831648.db2.gz YFPSYZUYDQLAPW-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H](C)CC(F)(F)F ZINC000397038673 398193652 /nfs/dbraw/zinc/19/36/52/398193652.db2.gz HZHIKHKAIYGMIR-JTQLQIEISA-N 1 0 225.298 3.601 20 0 BHADRO CC(C)CCC[NH2+]C[C@H](C)CC(F)(F)F ZINC000397038674 387532267 /nfs/dbraw/zinc/53/22/67/387532267.db2.gz HZHIKHKAIYGMIR-SNVBAGLBSA-N 1 0 225.298 3.601 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)C2CCCCC2)cn1 ZINC000397077764 387539485 /nfs/dbraw/zinc/53/94/85/387539485.db2.gz DOSQTPJFKZDGQE-AWEZNQCLSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)C2CCCCC2)cn1 ZINC000397077765 262833207 /nfs/dbraw/zinc/83/32/07/262833207.db2.gz DOSQTPJFKZDGQE-CQSZACIVSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)cn1 ZINC000397109237 262834210 /nfs/dbraw/zinc/83/42/10/262834210.db2.gz PTNDIHZLHMEZGJ-DOMZBBRYSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)cn1 ZINC000397109239 387540766 /nfs/dbraw/zinc/54/07/66/387540766.db2.gz PTNDIHZLHMEZGJ-IUODEOHRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)cn1 ZINC000397109242 387540743 /nfs/dbraw/zinc/54/07/43/387540743.db2.gz PTNDIHZLHMEZGJ-SWLSCSKDSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)cn1 ZINC000397109243 387540724 /nfs/dbraw/zinc/54/07/24/387540724.db2.gz PTNDIHZLHMEZGJ-WFASDCNBSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+]CCSCC(C)C)cs1 ZINC000397200729 387551516 /nfs/dbraw/zinc/55/15/16/387551516.db2.gz QACGJXMABFGOEY-UHFFFAOYSA-N 1 0 243.441 3.535 20 0 BHADRO CC(C)CSCC[NH2+][C@H]1CCc2ccccc21 ZINC000397482557 357515866 /nfs/dbraw/zinc/51/58/66/357515866.db2.gz PWGKIGOQGFEPHO-HNNXBMFYSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)CSCC[NH2+][C@@H]1CCc2ccccc21 ZINC000397482558 357515903 /nfs/dbraw/zinc/51/59/03/357515903.db2.gz PWGKIGOQGFEPHO-OAHLLOKOSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)cc1C)C1CCCC1 ZINC000397513333 323031757 /nfs/dbraw/zinc/03/17/57/323031757.db2.gz YUZQMLUGKKKKLS-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)cc1C)C1CCCC1 ZINC000397513336 323031663 /nfs/dbraw/zinc/03/16/63/323031663.db2.gz YUZQMLUGKKKKLS-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1ccncc1C ZINC000397529225 583101453 /nfs/dbraw/zinc/10/14/53/583101453.db2.gz VVWSBRCVVUCQFX-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO Cc1cnccc1CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000397539211 357562488 /nfs/dbraw/zinc/56/24/88/357562488.db2.gz LWKMVHADFVHFIH-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cnccc1CC[NH2+][C@H](C)CCC(C)(C)C ZINC000397539214 357562900 /nfs/dbraw/zinc/56/29/00/357562900.db2.gz LWKMVHADFVHFIH-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cnccc1CC[NH2+]C(C)(C)CC(C)(C)C ZINC000397545765 410926169 /nfs/dbraw/zinc/92/61/69/410926169.db2.gz YQFKULIWFNFFKE-UHFFFAOYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397562408 384454324 /nfs/dbraw/zinc/45/43/24/384454324.db2.gz BEYKRSFHOLLDTA-BNOWGMLFSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397562413 384454394 /nfs/dbraw/zinc/45/43/94/384454394.db2.gz BEYKRSFHOLLDTA-UBHSHLNASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397562414 384455965 /nfs/dbraw/zinc/45/59/65/384455965.db2.gz BEYKRSFHOLLDTA-XBFCOCLRSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397562415 384455936 /nfs/dbraw/zinc/45/59/36/384455936.db2.gz BEYKRSFHOLLDTA-YUTCNCBUSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000397562705 350916508 /nfs/dbraw/zinc/91/65/08/350916508.db2.gz AKLIUOVUQHEEPH-HUBLWGQQSA-N 1 0 242.366 3.643 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000397562706 350916630 /nfs/dbraw/zinc/91/66/30/350916630.db2.gz AKLIUOVUQHEEPH-SLEUVZQESA-N 1 0 242.366 3.643 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000397562707 350916477 /nfs/dbraw/zinc/91/64/77/350916477.db2.gz AKLIUOVUQHEEPH-YWPYICTPSA-N 1 0 242.366 3.643 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000397562708 350916552 /nfs/dbraw/zinc/91/65/52/350916552.db2.gz AKLIUOVUQHEEPH-ZOWXZIJZSA-N 1 0 242.366 3.643 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397574416 388480039 /nfs/dbraw/zinc/48/00/39/388480039.db2.gz CWXOLPSZOOSYQA-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397574418 387908703 /nfs/dbraw/zinc/90/87/03/387908703.db2.gz CWXOLPSZOOSYQA-SDDRHHMPSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397574420 262926930 /nfs/dbraw/zinc/92/69/30/262926930.db2.gz CWXOLPSZOOSYQA-SRVKXCTJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397574422 323080564 /nfs/dbraw/zinc/08/05/64/323080564.db2.gz CWXOLPSZOOSYQA-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1CCSCC1)[C@H]1CC1(C)C ZINC000397596818 262926927 /nfs/dbraw/zinc/92/69/27/262926927.db2.gz DFLHUEVEYKASAD-CHWSQXEVSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]CC1CCSCC1)[C@H]1CC1(C)C ZINC000397596820 388482287 /nfs/dbraw/zinc/48/22/87/388482287.db2.gz DFLHUEVEYKASAD-OLZOCXBDSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CC1(C)C ZINC000397596822 262927243 /nfs/dbraw/zinc/92/72/43/262927243.db2.gz DFLHUEVEYKASAD-QWHCGFSZSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]CC1CCSCC1)[C@@H]1CC1(C)C ZINC000397596825 262927022 /nfs/dbraw/zinc/92/70/22/262927022.db2.gz DFLHUEVEYKASAD-STQMWFEESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC1(C)C ZINC000397597895 347219558 /nfs/dbraw/zinc/21/95/58/347219558.db2.gz MHSJHSXDNKGTMO-HOJRLLLISA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397597897 347219772 /nfs/dbraw/zinc/21/97/72/347219772.db2.gz MHSJHSXDNKGTMO-KKOFPSKJSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397597900 388482515 /nfs/dbraw/zinc/48/25/15/388482515.db2.gz MHSJHSXDNKGTMO-MFNGEMCRSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC1(C)C ZINC000397597902 262927203 /nfs/dbraw/zinc/92/72/03/262927203.db2.gz MHSJHSXDNKGTMO-TWRYWWQQSA-N 1 0 243.394 3.957 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397600020 388482428 /nfs/dbraw/zinc/48/24/28/388482428.db2.gz LMYLLBUPJBUAII-GUTXKFCHSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397600024 488124655 /nfs/dbraw/zinc/12/46/55/488124655.db2.gz LMYLLBUPJBUAII-GZBFAFLISA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397600026 262927283 /nfs/dbraw/zinc/92/72/83/262927283.db2.gz LMYLLBUPJBUAII-IPYPFGDCSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397600028 488125153 /nfs/dbraw/zinc/12/51/53/488125153.db2.gz LMYLLBUPJBUAII-KCQAQPDRSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397600031 388482577 /nfs/dbraw/zinc/48/25/77/388482577.db2.gz LMYLLBUPJBUAII-NFAWXSAZSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397600041 323083147 /nfs/dbraw/zinc/08/31/47/323083147.db2.gz LMYLLBUPJBUAII-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397606804 388483641 /nfs/dbraw/zinc/48/36/41/388483641.db2.gz AOTOBXMXMRFDPL-LLLHUVSDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397606806 388483293 /nfs/dbraw/zinc/48/32/93/388483293.db2.gz AOTOBXMXMRFDPL-MXASKKJJSA-N 1 0 243.394 3.704 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397607557 388483092 /nfs/dbraw/zinc/48/30/92/388483092.db2.gz ARNODZAIYORXLN-FQUUOJAGSA-N 1 0 245.366 3.534 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397607559 388483122 /nfs/dbraw/zinc/48/31/22/388483122.db2.gz ARNODZAIYORXLN-YIYPIFLZSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397609818 347257324 /nfs/dbraw/zinc/25/73/24/347257324.db2.gz BNUDGLLRSSRMJJ-WISYIIOYSA-N 1 0 221.369 3.506 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397609822 323083785 /nfs/dbraw/zinc/08/37/85/323083785.db2.gz BNUDGLLRSSRMJJ-YFKTTZPYSA-N 1 0 221.369 3.506 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000397609877 323083783 /nfs/dbraw/zinc/08/37/83/323083783.db2.gz BOUWDDHWBBGNHE-UHFFFAOYSA-N 1 0 228.339 3.614 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000397610909 350951441 /nfs/dbraw/zinc/95/14/41/350951441.db2.gz CARWLKJFLZSOLW-UHFFFAOYSA-N 1 0 228.339 3.614 20 0 BHADRO c1ccc2cc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)ccc2c1 ZINC000397611473 388484069 /nfs/dbraw/zinc/48/40/69/388484069.db2.gz CJMLERVDKSUTNO-BJWYYQGGSA-N 1 0 237.346 3.728 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000397612757 357627770 /nfs/dbraw/zinc/62/77/70/357627770.db2.gz CSOSBAXEQDLGKE-UHFFFAOYSA-N 1 0 228.339 3.614 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397614564 385031286 /nfs/dbraw/zinc/03/12/86/385031286.db2.gz DKQGHKHSCKUCKF-WISYIIOYSA-N 1 0 221.369 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397614566 385031072 /nfs/dbraw/zinc/03/10/72/385031072.db2.gz DKQGHKHSCKUCKF-YFKTTZPYSA-N 1 0 221.369 3.506 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397615789 385045509 /nfs/dbraw/zinc/04/55/09/385045509.db2.gz PELPTBOSKZFCTD-AEGPPILISA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397615793 385045234 /nfs/dbraw/zinc/04/52/34/385045234.db2.gz PELPTBOSKZFCTD-CFVMTHIKSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397615795 385044045 /nfs/dbraw/zinc/04/40/45/385044045.db2.gz PELPTBOSKZFCTD-NWANDNLSSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397615797 385044431 /nfs/dbraw/zinc/04/44/31/385044431.db2.gz PELPTBOSKZFCTD-QEJZJMRPSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cccnc1)[C@@H]1CC1(C)C ZINC000397615799 388484293 /nfs/dbraw/zinc/48/42/93/388484293.db2.gz PELPTBOSKZFCTD-SNPRPXQTSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cccnc1)[C@H]1CC1(C)C ZINC000397615802 262927556 /nfs/dbraw/zinc/92/75/56/262927556.db2.gz PELPTBOSKZFCTD-YUELXQCFSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)s1 ZINC000397617705 388484429 /nfs/dbraw/zinc/48/44/29/388484429.db2.gz FXEHFCVEKJFXCV-DOLQZWNJSA-N 1 0 241.787 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)s1 ZINC000397617706 388484516 /nfs/dbraw/zinc/48/45/16/388484516.db2.gz FXEHFCVEKJFXCV-QEYWKRMJSA-N 1 0 241.787 3.851 20 0 BHADRO CC[C@H]([NH2+]CCCCOC(C)C)[C@@H]1CC1(C)C ZINC000397617902 388484538 /nfs/dbraw/zinc/48/45/38/388484538.db2.gz QXEHMVFMTUHVGK-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCCCOC(C)C)[C@H]1CC1(C)C ZINC000397617905 262927983 /nfs/dbraw/zinc/92/79/83/262927983.db2.gz QXEHMVFMTUHVGK-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC(C)C)[C@@H]1CC1(C)C ZINC000397617909 262927793 /nfs/dbraw/zinc/92/77/93/262927793.db2.gz QXEHMVFMTUHVGK-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC(C)C)[C@H]1CC1(C)C ZINC000397617911 388484188 /nfs/dbraw/zinc/48/41/88/388484188.db2.gz QXEHMVFMTUHVGK-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000397618272 385091220 /nfs/dbraw/zinc/09/12/20/385091220.db2.gz GARSLHQEPHJDSI-UHFFFAOYSA-N 1 0 228.339 3.614 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397619661 388484532 /nfs/dbraw/zinc/48/45/32/388484532.db2.gz GGKOOKLSQSFWHQ-YVSFHVDLSA-N 1 0 241.378 3.834 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397619663 388484015 /nfs/dbraw/zinc/48/40/15/388484015.db2.gz GGKOOKLSQSFWHQ-YYIAUSFCSA-N 1 0 241.378 3.834 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)[C@H]1CC1(C)C ZINC000397620189 388484526 /nfs/dbraw/zinc/48/45/26/388484526.db2.gz RQIOYFNCINJBDN-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)[C@@H]1CC1(C)C ZINC000397620191 388484279 /nfs/dbraw/zinc/48/42/79/388484279.db2.gz RQIOYFNCINJBDN-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)[C@@H]1CC1(C)C ZINC000397620192 388484054 /nfs/dbraw/zinc/48/40/54/388484054.db2.gz RQIOYFNCINJBDN-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)[C@H]1CC1(C)C ZINC000397620194 388484219 /nfs/dbraw/zinc/48/42/19/388484219.db2.gz RQIOYFNCINJBDN-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2ccccc2o1 ZINC000397623268 385159475 /nfs/dbraw/zinc/15/94/75/385159475.db2.gz HHXVGZFPQWDXHD-DEQVHRJGSA-N 1 0 241.334 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2ccccc2o1 ZINC000397623279 262927860 /nfs/dbraw/zinc/92/78/60/262927860.db2.gz HHXVGZFPQWDXHD-RUZUBIRVSA-N 1 0 241.334 3.882 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CC1(C)C ZINC000397623558 388485147 /nfs/dbraw/zinc/48/51/47/388485147.db2.gz LYIHXZLZQYCPCS-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CC1(C)C ZINC000397623559 262927855 /nfs/dbraw/zinc/92/78/55/262927855.db2.gz LYIHXZLZQYCPCS-AVGNSLFASA-N 1 0 241.444 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CC1(C)C ZINC000397623560 262927844 /nfs/dbraw/zinc/92/78/44/262927844.db2.gz LYIHXZLZQYCPCS-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CC1(C)C ZINC000397623561 388485268 /nfs/dbraw/zinc/48/52/68/388485268.db2.gz LYIHXZLZQYCPCS-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1OC ZINC000397627214 385219268 /nfs/dbraw/zinc/21/92/68/385219268.db2.gz KNUPZZGXRKMWGC-QVHKTLOISA-N 1 0 245.366 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1OC ZINC000397627215 262740066 /nfs/dbraw/zinc/74/00/66/262740066.db2.gz KNUPZZGXRKMWGC-XFMPKHEZSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000397629493 711388416 /nfs/dbraw/zinc/38/84/16/711388416.db2.gz LSTFLZKQIBXLGL-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CC1(C)C ZINC000397630041 262740064 /nfs/dbraw/zinc/74/00/64/262740064.db2.gz VFXAWLQPCUOKAE-BXUZGUMPSA-N 1 0 242.366 3.692 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CC1(C)C ZINC000397630043 385251947 /nfs/dbraw/zinc/25/19/47/385251947.db2.gz VFXAWLQPCUOKAE-FZMZJTMJSA-N 1 0 242.366 3.692 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CC1(C)C ZINC000397630044 385250918 /nfs/dbraw/zinc/25/09/18/385250918.db2.gz VFXAWLQPCUOKAE-RISCZKNCSA-N 1 0 242.366 3.692 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CC1(C)C ZINC000397630046 385252100 /nfs/dbraw/zinc/25/21/00/385252100.db2.gz VFXAWLQPCUOKAE-SMDDNHRTSA-N 1 0 242.366 3.692 20 0 BHADRO Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397631596 347335915 /nfs/dbraw/zinc/33/59/15/347335915.db2.gz MXPFZFHGYHLNCP-OCVGTWLNSA-N 1 0 245.341 3.665 20 0 BHADRO Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397631602 388486335 /nfs/dbraw/zinc/48/63/35/388486335.db2.gz MXPFZFHGYHLNCP-XRGAULLZSA-N 1 0 245.341 3.665 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397633408 388486297 /nfs/dbraw/zinc/48/62/97/388486297.db2.gz OAPYFYYZLONQJM-MHEUCROKSA-N 1 0 245.366 3.534 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397633409 388486222 /nfs/dbraw/zinc/48/62/22/388486222.db2.gz OAPYFYYZLONQJM-REBRKWNGSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)=CCC[NH2+]Cc1coc2ccccc12 ZINC000397636179 323244135 /nfs/dbraw/zinc/24/41/35/323244135.db2.gz AGWRQAKPFGIUJZ-UHFFFAOYSA-N 1 0 229.323 3.879 20 0 BHADRO CC(C)=CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000397640841 388487272 /nfs/dbraw/zinc/48/72/72/388487272.db2.gz CDMCTVXTXGWQNI-UHFFFAOYSA-N 1 0 229.367 3.879 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000397642043 388487100 /nfs/dbraw/zinc/48/71/00/388487100.db2.gz BBSXSBLOVCEAST-RNJOBUHISA-N 1 0 221.369 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000397642053 388487144 /nfs/dbraw/zinc/48/71/44/388487144.db2.gz BBSXSBLOVCEAST-YVECIDJPSA-N 1 0 221.369 3.587 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000397642431 388487025 /nfs/dbraw/zinc/48/70/25/388487025.db2.gz BFQYWHSMEDDSFZ-GXTWGEPZSA-N 1 0 233.355 3.849 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000397642433 388487164 /nfs/dbraw/zinc/48/71/64/388487164.db2.gz BFQYWHSMEDDSFZ-JSGCOSHPSA-N 1 0 233.355 3.849 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000397642435 388486593 /nfs/dbraw/zinc/48/65/93/388486593.db2.gz BFQYWHSMEDDSFZ-OCCSQVGLSA-N 1 0 233.355 3.849 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000397642437 388486796 /nfs/dbraw/zinc/48/67/96/388486796.db2.gz BFQYWHSMEDDSFZ-TZMCWYRMSA-N 1 0 233.355 3.849 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397642953 388487259 /nfs/dbraw/zinc/48/72/59/388487259.db2.gz SGOLMHOIQUBPAW-FVCCEPFGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397642958 388486562 /nfs/dbraw/zinc/48/65/62/388486562.db2.gz SGOLMHOIQUBPAW-RVMXOQNASA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OC)cc1 ZINC000397644268 262805022 /nfs/dbraw/zinc/80/50/22/262805022.db2.gz TUNPYPZBZRNRLZ-FQLMCAECSA-N 1 0 245.366 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OC)cc1 ZINC000397644270 386765618 /nfs/dbraw/zinc/76/56/18/386765618.db2.gz TUNPYPZBZRNRLZ-HLPPOEQASA-N 1 0 245.366 3.534 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccs1 ZINC000397645046 388487300 /nfs/dbraw/zinc/48/73/00/388487300.db2.gz UGJUENAPNCZOCW-USZNOCQGSA-N 1 0 221.369 3.587 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccs1 ZINC000397645047 388487297 /nfs/dbraw/zinc/48/72/97/388487297.db2.gz UGJUENAPNCZOCW-WRWGMCAJSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1csc(Cl)c1 ZINC000397648177 490220350 /nfs/dbraw/zinc/22/03/50/490220350.db2.gz VOORNSCSHWYSSV-CKEKPRIKSA-N 1 0 241.787 3.851 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1csc(Cl)c1 ZINC000397648186 411240666 /nfs/dbraw/zinc/24/06/66/411240666.db2.gz VOORNSCSHWYSSV-SDNRWEOFSA-N 1 0 241.787 3.851 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc2ccccc2o1 ZINC000397649942 387509490 /nfs/dbraw/zinc/50/94/90/387509490.db2.gz WEDHCQQFROLWRT-UHFFFAOYSA-N 1 0 229.323 3.879 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397653155 388488018 /nfs/dbraw/zinc/48/80/18/388488018.db2.gz XKMNIXPJDBSNAJ-LXTVHRRPSA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397653159 386483263 /nfs/dbraw/zinc/48/32/63/386483263.db2.gz XKMNIXPJDBSNAJ-XGUBFFRZSA-N 1 0 215.340 3.526 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000397653559 262928741 /nfs/dbraw/zinc/92/87/41/262928741.db2.gz FYWAVJJUJKSQLH-HNCHTBHHSA-N 1 0 221.369 3.506 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000397653563 388487818 /nfs/dbraw/zinc/48/78/18/388487818.db2.gz FYWAVJJUJKSQLH-KQXIARHKSA-N 1 0 221.369 3.506 20 0 BHADRO CCC[C@@H]([NH2+]C1CCSCC1)[C@H]1CC1(C)C ZINC000397655047 388487777 /nfs/dbraw/zinc/48/77/77/388487777.db2.gz VBXFDKOGAVRLKO-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@H]([NH2+]C1CCSCC1)[C@H]1CC1(C)C ZINC000397655049 262928653 /nfs/dbraw/zinc/92/86/53/262928653.db2.gz VBXFDKOGAVRLKO-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@@H]([NH2+]C1CCSCC1)[C@@H]1CC1(C)C ZINC000397655051 388487757 /nfs/dbraw/zinc/48/77/57/388487757.db2.gz VBXFDKOGAVRLKO-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@H]([NH2+]C1CCSCC1)[C@@H]1CC1(C)C ZINC000397655053 388487999 /nfs/dbraw/zinc/48/79/99/388487999.db2.gz VBXFDKOGAVRLKO-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CC1(C)C ZINC000397657871 388487595 /nfs/dbraw/zinc/48/75/95/388487595.db2.gz KGORKNWUQXMANL-AEJSXWLSSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)CC(F)(F)F ZINC000397657872 388488080 /nfs/dbraw/zinc/48/80/80/388488080.db2.gz KGORKNWUQXMANL-GUBZILKMSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H]1CC1(C)C ZINC000397657873 388487983 /nfs/dbraw/zinc/48/79/83/388487983.db2.gz KGORKNWUQXMANL-IVZWLZJFSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)CC(F)(F)F ZINC000397657874 388487685 /nfs/dbraw/zinc/48/76/85/388487685.db2.gz KGORKNWUQXMANL-LPEHRKFASA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000397664775 711388977 /nfs/dbraw/zinc/38/89/77/711388977.db2.gz KUJUKTMXCRLSGG-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CCOc1cccc(C[NH2+]CCC=C(C)C)c1 ZINC000397665480 388488502 /nfs/dbraw/zinc/48/85/02/388488502.db2.gz KZJMKAPNZHJNMP-UHFFFAOYSA-N 1 0 233.355 3.531 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000397668930 388488961 /nfs/dbraw/zinc/48/89/61/388488961.db2.gz MNCLXZYLVYULNN-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000397668932 323189472 /nfs/dbraw/zinc/18/94/72/323189472.db2.gz MNCLXZYLVYULNN-ZDUSSCGKSA-N 1 0 235.346 3.703 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CCC=C(C)C)c1 ZINC000397669504 388488778 /nfs/dbraw/zinc/48/87/78/388488778.db2.gz MWHRKZGHAGYRHS-CYBMUJFWSA-N 1 0 233.355 3.702 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CCC=C(C)C)c1 ZINC000397669506 388488723 /nfs/dbraw/zinc/48/87/23/388488723.db2.gz MWHRKZGHAGYRHS-ZDUSSCGKSA-N 1 0 233.355 3.702 20 0 BHADRO CCOc1ccccc1C[NH2+]CCC=C(C)C ZINC000397677142 323228536 /nfs/dbraw/zinc/22/85/36/323228536.db2.gz QTVNBKRRSWTAQU-UHFFFAOYSA-N 1 0 233.355 3.531 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CCC=C(C)C ZINC000397678178 388489804 /nfs/dbraw/zinc/48/98/04/388489804.db2.gz RONMZZZCFDRICY-CYBMUJFWSA-N 1 0 233.355 3.702 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CCC=C(C)C ZINC000397678181 323234722 /nfs/dbraw/zinc/23/47/22/323234722.db2.gz RONMZZZCFDRICY-ZDUSSCGKSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCC=C(C)C)c1ccc(F)cn1 ZINC000397680885 324193148 /nfs/dbraw/zinc/19/31/48/324193148.db2.gz SYEJGRUHECZIBB-CYBMUJFWSA-N 1 0 236.334 3.618 20 0 BHADRO CC[C@H]([NH2+]CCC=C(C)C)c1ccc(F)cn1 ZINC000397680887 324193464 /nfs/dbraw/zinc/19/34/64/324193464.db2.gz SYEJGRUHECZIBB-ZDUSSCGKSA-N 1 0 236.334 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397683817 324210522 /nfs/dbraw/zinc/21/05/22/324210522.db2.gz UUBKYTDYWQGYPF-AGIUHOORSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000397683819 324210229 /nfs/dbraw/zinc/21/02/29/324210229.db2.gz UUBKYTDYWQGYPF-AVGNSLFASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397683827 262929568 /nfs/dbraw/zinc/92/95/68/262929568.db2.gz UUBKYTDYWQGYPF-UPJWGTAASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000397683829 388489789 /nfs/dbraw/zinc/48/97/89/388489789.db2.gz UUBKYTDYWQGYPF-XQQFMLRXSA-N 1 0 232.371 3.557 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CCC=C(C)C)cc1 ZINC000397684036 388489484 /nfs/dbraw/zinc/48/94/84/388489484.db2.gz VMOBEMJHUYGTGT-CYBMUJFWSA-N 1 0 233.355 3.702 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CCC=C(C)C)cc1 ZINC000397684037 388489810 /nfs/dbraw/zinc/48/98/10/388489810.db2.gz VMOBEMJHUYGTGT-ZDUSSCGKSA-N 1 0 233.355 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CC1(C)C ZINC000397685076 388489577 /nfs/dbraw/zinc/48/95/77/388489577.db2.gz LGLYRLMOZPSOSB-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CC1(C)C ZINC000397685081 388489603 /nfs/dbraw/zinc/48/96/03/388489603.db2.gz LGLYRLMOZPSOSB-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC1(C)C ZINC000397685084 388489405 /nfs/dbraw/zinc/48/94/05/388489405.db2.gz LGLYRLMOZPSOSB-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC1(C)C ZINC000397685086 262929350 /nfs/dbraw/zinc/92/93/50/262929350.db2.gz LGLYRLMOZPSOSB-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000397685768 388490526 /nfs/dbraw/zinc/49/05/26/388490526.db2.gz WNTAWICTJJSHBX-HNNXBMFYSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000397685769 388490117 /nfs/dbraw/zinc/49/01/17/388490117.db2.gz WNTAWICTJJSHBX-OAHLLOKOSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000397685804 388490328 /nfs/dbraw/zinc/49/03/28/388490328.db2.gz WPYFKRBQJPXZJG-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000397685805 388490646 /nfs/dbraw/zinc/49/06/46/388490646.db2.gz WPYFKRBQJPXZJG-ZDUSSCGKSA-N 1 0 235.346 3.703 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397686910 488135110 /nfs/dbraw/zinc/13/51/10/488135110.db2.gz LZBYEOAUCJVLNH-SRVKXCTJSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397686911 488134972 /nfs/dbraw/zinc/13/49/72/488134972.db2.gz LZBYEOAUCJVLNH-TUAOUCFPSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397686912 488135171 /nfs/dbraw/zinc/13/51/71/488135171.db2.gz LZBYEOAUCJVLNH-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397686913 488135031 /nfs/dbraw/zinc/13/50/31/488135031.db2.gz LZBYEOAUCJVLNH-WOPDTQHZSA-N 1 0 245.357 3.979 20 0 BHADRO CCOc1ccc(C[NH2+]CCC=C(C)C)cc1 ZINC000397690454 262919152 /nfs/dbraw/zinc/91/91/52/262919152.db2.gz ZOINSYQOJLAAQW-UHFFFAOYSA-N 1 0 233.355 3.531 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000397691051 388490320 /nfs/dbraw/zinc/49/03/20/388490320.db2.gz ZUOWHCNMLVBKKZ-HNNXBMFYSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000397691052 388490371 /nfs/dbraw/zinc/49/03/71/388490371.db2.gz ZUOWHCNMLVBKKZ-OAHLLOKOSA-N 1 0 233.330 3.759 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)[C@H]1CC1(C)C ZINC000397691343 388490121 /nfs/dbraw/zinc/49/01/21/388490121.db2.gz XJGGPEGGOALWNQ-BNOWGMLFSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)[C@@H]1CC1(C)C ZINC000397691353 388490747 /nfs/dbraw/zinc/49/07/47/388490747.db2.gz XJGGPEGGOALWNQ-UBHSHLNASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1)[C@@H]1CC1(C)C ZINC000397691354 388490533 /nfs/dbraw/zinc/49/05/33/388490533.db2.gz XJGGPEGGOALWNQ-XBFCOCLRSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1)[C@H]1CC1(C)C ZINC000397691356 388490783 /nfs/dbraw/zinc/49/07/83/388490783.db2.gz XJGGPEGGOALWNQ-YUTCNCBUSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cc1 ZINC000397691503 388490264 /nfs/dbraw/zinc/49/02/64/388490264.db2.gz AURNDRWCKMNUOB-SGESHTKJSA-N 1 0 235.758 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cc1 ZINC000397691505 262929570 /nfs/dbraw/zinc/92/95/70/262929570.db2.gz AURNDRWCKMNUOB-ZKCLLBTKSA-N 1 0 235.758 3.789 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(C)s1 ZINC000397692292 388425903 /nfs/dbraw/zinc/42/59/03/388425903.db2.gz BNVDIQOEPJPDGO-FOUMNBMASA-N 1 0 235.396 3.814 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(C)s1 ZINC000397692294 388425826 /nfs/dbraw/zinc/42/58/26/388425826.db2.gz BNVDIQOEPJPDGO-SYEHKZFSSA-N 1 0 235.396 3.814 20 0 BHADRO CCC[C@H]([NH2+]CCCCCOC)[C@@H]1CC1(C)C ZINC000397696590 388491577 /nfs/dbraw/zinc/49/15/77/388491577.db2.gz OKODTRRGSGBPLP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCCCCOC)[C@H]1CC1(C)C ZINC000397696592 388491563 /nfs/dbraw/zinc/49/15/63/388491563.db2.gz OKODTRRGSGBPLP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCOC)[C@@H]1CC1(C)C ZINC000397696594 388491187 /nfs/dbraw/zinc/49/11/87/388491187.db2.gz OKODTRRGSGBPLP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCOC)[C@H]1CC1(C)C ZINC000397696597 388491255 /nfs/dbraw/zinc/49/12/55/388491255.db2.gz OKODTRRGSGBPLP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1Cl ZINC000397696828 388491360 /nfs/dbraw/zinc/49/13/60/388491360.db2.gz FTAQTYOFPKRNFT-WISYIIOYSA-N 1 0 235.758 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1Cl ZINC000397696829 388491339 /nfs/dbraw/zinc/49/13/39/388491339.db2.gz FTAQTYOFPKRNFT-YFKTTZPYSA-N 1 0 235.758 3.789 20 0 BHADRO COc1ccc2c(c1)[C@@H]([NH2+]CCC=C(C)C)CC2 ZINC000397700930 262929823 /nfs/dbraw/zinc/92/98/23/262929823.db2.gz ITTUAGOUCVQMQW-INIZCTEOSA-N 1 0 245.366 3.628 20 0 BHADRO COc1ccc2c(c1)[C@H]([NH2+]CCC=C(C)C)CC2 ZINC000397700932 388492344 /nfs/dbraw/zinc/49/23/44/388492344.db2.gz ITTUAGOUCVQMQW-MRXNPFEDSA-N 1 0 245.366 3.628 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc2cnccc21 ZINC000397702601 583106995 /nfs/dbraw/zinc/10/69/95/583106995.db2.gz KCPXRFUCIUSFPH-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397702993 262930336 /nfs/dbraw/zinc/93/03/36/262930336.db2.gz KJXYYMZBYYTMNC-LSCVPOLPSA-N 1 0 233.380 3.514 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397702995 388492319 /nfs/dbraw/zinc/49/23/19/388492319.db2.gz KJXYYMZBYYTMNC-NOHGZBONSA-N 1 0 233.380 3.514 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000397703435 583107254 /nfs/dbraw/zinc/10/72/54/583107254.db2.gz KPTFNKQYDNXQSQ-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397704443 388492111 /nfs/dbraw/zinc/49/21/11/388492111.db2.gz LIUPMOQYQWWEQV-WISYIIOYSA-N 1 0 235.396 3.760 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397704444 262930386 /nfs/dbraw/zinc/93/03/86/262930386.db2.gz LIUPMOQYQWWEQV-YFKTTZPYSA-N 1 0 235.396 3.760 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CC1(C)C ZINC000397707452 388492964 /nfs/dbraw/zinc/49/29/64/388492964.db2.gz RXIWTEJQGMZYIA-CYZMBNFOSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CC1(C)C ZINC000397707455 262930349 /nfs/dbraw/zinc/93/03/49/262930349.db2.gz RXIWTEJQGMZYIA-DRZSPHRISA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CC1(C)C ZINC000397707458 388493331 /nfs/dbraw/zinc/49/33/31/388493331.db2.gz RXIWTEJQGMZYIA-UHTWSYAYSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CC1(C)C ZINC000397707462 348575322 /nfs/dbraw/zinc/57/53/22/348575322.db2.gz RXIWTEJQGMZYIA-WCFLWFBJSA-N 1 0 233.355 3.681 20 0 BHADRO CSCC1CCC([NH2+]CCC=C(C)C)CC1 ZINC000397708126 388493257 /nfs/dbraw/zinc/49/32/57/388493257.db2.gz ACJXYYQCRYWKGP-UHFFFAOYSA-N 1 0 241.444 3.854 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397709051 262930288 /nfs/dbraw/zinc/93/02/88/262930288.db2.gz SILDTVDNKOVIGD-BZPMIXESSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397709052 262930140 /nfs/dbraw/zinc/93/01/40/262930140.db2.gz SILDTVDNKOVIGD-DYEKYZERSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397709054 388492805 /nfs/dbraw/zinc/49/28/05/388492805.db2.gz SILDTVDNKOVIGD-MBNYWOFBSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397709056 262930228 /nfs/dbraw/zinc/93/02/28/262930228.db2.gz SILDTVDNKOVIGD-YRGRVCCFSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000397712727 711388896 /nfs/dbraw/zinc/38/88/96/711388896.db2.gz QESOLFMWMCYHEI-CYBMUJFWSA-N 1 0 245.366 3.628 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000397712728 711389098 /nfs/dbraw/zinc/38/90/98/711389098.db2.gz QESOLFMWMCYHEI-ZDUSSCGKSA-N 1 0 245.366 3.628 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cncc2ccccc21 ZINC000397712776 711389007 /nfs/dbraw/zinc/38/90/07/711389007.db2.gz QGWTWTZMJUPRJA-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397715771 323090196 /nfs/dbraw/zinc/09/01/96/323090196.db2.gz GNHAYFBGAPTGDZ-DNVSUFBTSA-N 1 0 249.785 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397715772 323090229 /nfs/dbraw/zinc/09/02/29/323090229.db2.gz GNHAYFBGAPTGDZ-IKVITTDRSA-N 1 0 249.785 3.659 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000397718869 388494210 /nfs/dbraw/zinc/49/42/10/388494210.db2.gz ABWWHPMPGRRGHN-HNNXBMFYSA-N 1 0 249.785 3.753 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000397718871 388494188 /nfs/dbraw/zinc/49/41/88/388494188.db2.gz ABWWHPMPGRRGHN-OAHLLOKOSA-N 1 0 249.785 3.753 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CC1(C)C ZINC000397720397 388493835 /nfs/dbraw/zinc/49/38/35/388493835.db2.gz VZSYWPWHUCNDOD-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCSC1)[C@@H]1CC1(C)C ZINC000397720398 262930565 /nfs/dbraw/zinc/93/05/65/262930565.db2.gz VZSYWPWHUCNDOD-AVGNSLFASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CC1(C)C ZINC000397720399 262930853 /nfs/dbraw/zinc/93/08/53/262930853.db2.gz VZSYWPWHUCNDOD-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CC1(C)C ZINC000397720400 388494168 /nfs/dbraw/zinc/49/41/68/388494168.db2.gz VZSYWPWHUCNDOD-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1 ZINC000397721452 323090583 /nfs/dbraw/zinc/09/05/83/323090583.db2.gz WJLMZYGYXIIGES-SGESHTKJSA-N 1 0 235.758 3.789 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1 ZINC000397721453 323090584 /nfs/dbraw/zinc/09/05/84/323090584.db2.gz WJLMZYGYXIIGES-ZKCLLBTKSA-N 1 0 235.758 3.789 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccnc2ccccc12 ZINC000397721516 357671207 /nfs/dbraw/zinc/67/12/07/357671207.db2.gz WMNPZNHHRIKZSG-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397724035 388494557 /nfs/dbraw/zinc/49/45/57/388494557.db2.gz XWNKWQMHPJZLFB-DABQJJPHSA-N 1 0 235.758 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000397725156 388494915 /nfs/dbraw/zinc/49/49/15/388494915.db2.gz YNLZXQYNMSXRDS-CLLJXQQHSA-N 1 0 235.758 3.537 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000397727602 388494938 /nfs/dbraw/zinc/49/49/38/388494938.db2.gz CZMJWZRJWKHNLE-UHFFFAOYSA-N 1 0 243.272 3.550 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000397731293 398122921 /nfs/dbraw/zinc/12/29/21/398122921.db2.gz FPCYAMGFLRQXGI-LLVKDONJSA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000397731294 262931151 /nfs/dbraw/zinc/93/11/51/262931151.db2.gz FPCYAMGFLRQXGI-NSHDSACASA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000397734430 398122228 /nfs/dbraw/zinc/12/22/28/398122228.db2.gz HCCCEJXZJBPJGG-UHFFFAOYSA-N 1 0 243.272 3.550 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000397735687 262931354 /nfs/dbraw/zinc/93/13/54/262931354.db2.gz HUQWFRYSYNQKKA-LLVKDONJSA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000397735691 388495815 /nfs/dbraw/zinc/49/58/15/388495815.db2.gz HUQWFRYSYNQKKA-NSHDSACASA-N 1 0 239.309 3.972 20 0 BHADRO C[C@@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000397745917 388495843 /nfs/dbraw/zinc/49/58/43/388495843.db2.gz BCMPTDQHSCJDQF-DOMZBBRYSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000397745919 388495710 /nfs/dbraw/zinc/49/57/10/388495710.db2.gz BCMPTDQHSCJDQF-IUODEOHRSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000397745920 262931886 /nfs/dbraw/zinc/93/18/86/262931886.db2.gz BCMPTDQHSCJDQF-SWLSCSKDSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000397745922 388495896 /nfs/dbraw/zinc/49/58/96/388495896.db2.gz BCMPTDQHSCJDQF-WFASDCNBSA-N 1 0 246.398 3.595 20 0 BHADRO COc1ccc(C[C@H](C)[NH2+]CCC=C(C)C)cc1 ZINC000397748573 388496617 /nfs/dbraw/zinc/49/66/17/388496617.db2.gz DRJFUGZXZMLTKB-AWEZNQCLSA-N 1 0 247.382 3.572 20 0 BHADRO COc1ccc(C[C@@H](C)[NH2+]CCC=C(C)C)cc1 ZINC000397748578 388496514 /nfs/dbraw/zinc/49/65/14/388496514.db2.gz DRJFUGZXZMLTKB-CQSZACIVSA-N 1 0 247.382 3.572 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397749320 262931944 /nfs/dbraw/zinc/93/19/44/262931944.db2.gz OOQWDGXNVNCWQU-LXTVHRRPSA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397749323 388496767 /nfs/dbraw/zinc/49/67/67/388496767.db2.gz OOQWDGXNVNCWQU-XGUBFFRZSA-N 1 0 221.388 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1 ZINC000397750335 388496583 /nfs/dbraw/zinc/49/65/83/388496583.db2.gz MBFFELNQDMEJEE-AYRXBEOTSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1 ZINC000397750872 388496524 /nfs/dbraw/zinc/49/65/24/388496524.db2.gz MBFFELNQDMEJEE-NEBZKDRISA-N 1 0 233.330 3.665 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397750924 262744613 /nfs/dbraw/zinc/74/46/13/262744613.db2.gz MECYOFXMXIICBC-PTEHBNRSSA-N 1 0 243.375 3.789 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CC1(C)C ZINC000397753627 385849564 /nfs/dbraw/zinc/84/95/64/385849564.db2.gz JQTQLGCSDCBJEK-AMSHZMHASA-N 1 0 229.367 3.724 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CC1(C)C ZINC000397753629 388496500 /nfs/dbraw/zinc/49/65/00/388496500.db2.gz JQTQLGCSDCBJEK-FMAWOHHVSA-N 1 0 229.367 3.724 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CC1(C)C ZINC000397753632 388496126 /nfs/dbraw/zinc/49/61/26/388496126.db2.gz JQTQLGCSDCBJEK-SROOCWBTSA-N 1 0 229.367 3.724 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CC1(C)C ZINC000397753635 388496258 /nfs/dbraw/zinc/49/62/58/388496258.db2.gz JQTQLGCSDCBJEK-WOPSIANGSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000397753664 388496150 /nfs/dbraw/zinc/49/61/50/388496150.db2.gz QUMWMDZFOIUEKP-LLVKDONJSA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000397753668 388496762 /nfs/dbraw/zinc/49/67/62/388496762.db2.gz QUMWMDZFOIUEKP-NSHDSACASA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000397755680 388496340 /nfs/dbraw/zinc/49/63/40/388496340.db2.gz RRYSRAVZVOWHAV-LLVKDONJSA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000397755683 388496242 /nfs/dbraw/zinc/49/62/42/388496242.db2.gz RRYSRAVZVOWHAV-NSHDSACASA-N 1 0 239.309 3.972 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397760999 388497494 /nfs/dbraw/zinc/49/74/94/388497494.db2.gz PZWQKCKYCRZJQY-DEQVHRJGSA-N 1 0 247.407 3.858 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397761001 388497004 /nfs/dbraw/zinc/49/70/04/388497004.db2.gz PZWQKCKYCRZJQY-RUZUBIRVSA-N 1 0 247.407 3.858 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397763102 388497421 /nfs/dbraw/zinc/49/74/21/388497421.db2.gz WTIXYPPZZQZZSD-DABQJJPHSA-N 1 0 235.758 3.537 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)cc1 ZINC000397763845 323093024 /nfs/dbraw/zinc/09/30/24/323093024.db2.gz FPUITCPZTAFUNS-HUBLWGQQSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)cc1 ZINC000397763854 323092992 /nfs/dbraw/zinc/09/29/92/323092992.db2.gz FPUITCPZTAFUNS-SLEUVZQESA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)cc1 ZINC000397763862 388497321 /nfs/dbraw/zinc/49/73/21/388497321.db2.gz FPUITCPZTAFUNS-YWPYICTPSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)cc1 ZINC000397763864 388497452 /nfs/dbraw/zinc/49/74/52/388497452.db2.gz FPUITCPZTAFUNS-ZOWXZIJZSA-N 1 0 247.382 3.780 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397764091 350964074 /nfs/dbraw/zinc/96/40/74/350964074.db2.gz RIUIJJUBYLVWSQ-CLLJXQQHSA-N 1 0 237.293 3.512 20 0 BHADRO COc1ccccc1C[C@H](C)[NH2+]CCC=C(C)C ZINC000397765149 388497149 /nfs/dbraw/zinc/49/71/49/388497149.db2.gz MPAIBKREJKEYMZ-AWEZNQCLSA-N 1 0 247.382 3.572 20 0 BHADRO COc1ccccc1C[C@@H](C)[NH2+]CCC=C(C)C ZINC000397765151 388497044 /nfs/dbraw/zinc/49/70/44/388497044.db2.gz MPAIBKREJKEYMZ-CQSZACIVSA-N 1 0 247.382 3.572 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000397767325 385902103 /nfs/dbraw/zinc/90/21/03/385902103.db2.gz ZPIZJZWRPZGJEJ-LLVKDONJSA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000397767326 385902711 /nfs/dbraw/zinc/90/27/11/385902711.db2.gz ZPIZJZWRPZGJEJ-NSHDSACASA-N 1 0 239.309 3.972 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000397768448 388497084 /nfs/dbraw/zinc/49/70/84/388497084.db2.gz TYCROSFSONOCBY-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCCC12CCC2 ZINC000397768450 262932586 /nfs/dbraw/zinc/93/25/86/262932586.db2.gz TYCROSFSONOCBY-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000397770669 262932740 /nfs/dbraw/zinc/93/27/40/262932740.db2.gz KYVSYCNYIJEVDB-ZVTHOSHGSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397771561 388498312 /nfs/dbraw/zinc/49/83/12/388498312.db2.gz LHGKXNJSXYOFKX-QCROOJIWSA-N 1 0 241.378 3.629 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000397772967 388498001 /nfs/dbraw/zinc/49/80/01/388498001.db2.gz QTBALSSAVZZTBB-UHFFFAOYSA-N 1 0 247.382 3.920 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397775108 488046269 /nfs/dbraw/zinc/04/62/69/488046269.db2.gz IAZCVVKIDOTMPU-AXFHLTTASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397775109 488147784 /nfs/dbraw/zinc/14/77/84/488147784.db2.gz IAZCVVKIDOTMPU-DCAQKATOSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@H]1CC1(C)C ZINC000397775110 488147705 /nfs/dbraw/zinc/14/77/05/488147705.db2.gz IAZCVVKIDOTMPU-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@@H]1CC1(C)C ZINC000397775111 488147750 /nfs/dbraw/zinc/14/77/50/488147750.db2.gz IAZCVVKIDOTMPU-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccccc1OC(C)C ZINC000397775224 388498161 /nfs/dbraw/zinc/49/81/61/388498161.db2.gz SDKBYPNVGTYAGW-UHFFFAOYSA-N 1 0 247.382 3.920 20 0 BHADRO CCC[C@H]([NH2+]CCCCOCC)[C@@H]1CC1(C)C ZINC000397776001 388498169 /nfs/dbraw/zinc/49/81/69/388498169.db2.gz IINHBYFEGCULBX-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCCCOCC)[C@H]1CC1(C)C ZINC000397776004 388498083 /nfs/dbraw/zinc/49/80/83/388498083.db2.gz IINHBYFEGCULBX-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOCC)[C@@H]1CC1(C)C ZINC000397776008 388498176 /nfs/dbraw/zinc/49/81/76/388498176.db2.gz IINHBYFEGCULBX-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOCC)[C@H]1CC1(C)C ZINC000397776012 262933075 /nfs/dbraw/zinc/93/30/75/262933075.db2.gz IINHBYFEGCULBX-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000397778256 388497875 /nfs/dbraw/zinc/49/78/75/388497875.db2.gz UKMZPRGWGAXGOJ-UHFFFAOYSA-N 1 0 247.382 3.920 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397779964 388498645 /nfs/dbraw/zinc/49/86/45/388498645.db2.gz YNOFZTVKCLVCQV-GFQSEFKGSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397779970 262933214 /nfs/dbraw/zinc/93/32/14/262933214.db2.gz YNOFZTVKCLVCQV-OPDFLTKYSA-N 1 0 245.391 3.612 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cs1 ZINC000397780005 388498587 /nfs/dbraw/zinc/49/85/87/388498587.db2.gz CTGCGMMHEGJOSJ-JBLDHEPKSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cs1 ZINC000397780009 388498875 /nfs/dbraw/zinc/49/88/75/388498875.db2.gz CTGCGMMHEGJOSJ-JFGNBEQYSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cs1 ZINC000397780011 388499112 /nfs/dbraw/zinc/49/91/12/388499112.db2.gz CTGCGMMHEGJOSJ-NHCYSSNCSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cs1 ZINC000397780013 323096034 /nfs/dbraw/zinc/09/60/34/323096034.db2.gz CTGCGMMHEGJOSJ-SCVCMEIPSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397781354 388498687 /nfs/dbraw/zinc/49/86/87/388498687.db2.gz DDLCNSTWWAUGGG-DCAQKATOSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397781356 323096072 /nfs/dbraw/zinc/09/60/72/323096072.db2.gz DDLCNSTWWAUGGG-GARJFASQSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000397781357 323096029 /nfs/dbraw/zinc/09/60/29/323096029.db2.gz DDLCNSTWWAUGGG-OUAUKWLOSA-N 1 0 241.425 3.601 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397781359 323096098 /nfs/dbraw/zinc/09/60/98/323096098.db2.gz DDLCNSTWWAUGGG-VWYCJHECSA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000397781400 388498816 /nfs/dbraw/zinc/49/88/16/388498816.db2.gz JHDFOFCRIASBMP-AXFHLTTASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000397781402 388499026 /nfs/dbraw/zinc/49/90/26/388499026.db2.gz JHDFOFCRIASBMP-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000397781404 262933615 /nfs/dbraw/zinc/93/36/15/262933615.db2.gz JHDFOFCRIASBMP-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000397781406 262933653 /nfs/dbraw/zinc/93/36/53/262933653.db2.gz JHDFOFCRIASBMP-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1F ZINC000397781850 388498594 /nfs/dbraw/zinc/49/85/94/388498594.db2.gz ZLTLBHNFQOVOPV-NWJSVONSSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1F ZINC000397781851 388498570 /nfs/dbraw/zinc/49/85/70/388498570.db2.gz ZLTLBHNFQOVOPV-OXIQGZBJSA-N 1 0 233.330 3.665 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000397782171 262933634 /nfs/dbraw/zinc/93/36/34/262933634.db2.gz WPXXRNGEQMTRSU-AWEZNQCLSA-N 1 0 247.382 3.659 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000397782176 388498929 /nfs/dbraw/zinc/49/89/29/388498929.db2.gz WPXXRNGEQMTRSU-CQSZACIVSA-N 1 0 247.382 3.659 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397782469 262933649 /nfs/dbraw/zinc/93/36/49/262933649.db2.gz ZPGLZKHEVRABSZ-NDPMZMCLSA-N 1 0 247.769 3.715 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397782476 388498659 /nfs/dbraw/zinc/49/86/59/388498659.db2.gz ZPGLZKHEVRABSZ-WJNVRWDZSA-N 1 0 247.769 3.715 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccsc1 ZINC000397785644 262933757 /nfs/dbraw/zinc/93/37/57/262933757.db2.gz FSDWGJJGBGAYGL-DLOVCJGASA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccsc1 ZINC000397785646 388498648 /nfs/dbraw/zinc/49/86/48/388498648.db2.gz FSDWGJJGBGAYGL-JLLWLGSASA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccsc1 ZINC000397785649 262933592 /nfs/dbraw/zinc/93/35/92/262933592.db2.gz FSDWGJJGBGAYGL-USWWRNFRSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccsc1 ZINC000397785652 398110927 /nfs/dbraw/zinc/11/09/27/398110927.db2.gz FSDWGJJGBGAYGL-WCQGTBRESA-N 1 0 241.425 3.683 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397795343 262934115 /nfs/dbraw/zinc/93/41/15/262934115.db2.gz UMLFLFRZJKJWTI-MUJYYYPQSA-N 1 0 237.346 3.728 20 0 BHADRO CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CC1(C)C ZINC000397796138 388499423 /nfs/dbraw/zinc/49/94/23/388499423.db2.gz QWCAIFFCWKAABD-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CC1(C)C ZINC000397796151 323096514 /nfs/dbraw/zinc/09/65/14/323096514.db2.gz QWCAIFFCWKAABD-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CC1(C)C ZINC000397796168 388499581 /nfs/dbraw/zinc/49/95/81/388499581.db2.gz QWCAIFFCWKAABD-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]CCC(F)(F)F)[C@H]1CC1(C)C ZINC000397796184 388499481 /nfs/dbraw/zinc/49/94/81/388499481.db2.gz QWCAIFFCWKAABD-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccsc1 ZINC000397800414 388500619 /nfs/dbraw/zinc/50/06/19/388500619.db2.gz VFHPMSRJQMLBPT-ADEWGFFLSA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccsc1 ZINC000397800415 262934579 /nfs/dbraw/zinc/93/45/79/262934579.db2.gz VFHPMSRJQMLBPT-DLOVCJGASA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccsc1 ZINC000397800417 388500326 /nfs/dbraw/zinc/50/03/26/388500326.db2.gz VFHPMSRJQMLBPT-USWWRNFRSA-N 1 0 241.425 3.540 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccsc1 ZINC000397800418 388500249 /nfs/dbraw/zinc/50/02/49/388500249.db2.gz VFHPMSRJQMLBPT-ZMLRMANQSA-N 1 0 241.425 3.540 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397806178 388500947 /nfs/dbraw/zinc/50/09/47/388500947.db2.gz HAHHASJRXZPMJZ-APIJFGDWSA-N 1 0 229.367 3.753 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397806188 388501134 /nfs/dbraw/zinc/50/11/34/388501134.db2.gz HAHHASJRXZPMJZ-XQLPTFJDSA-N 1 0 229.367 3.753 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397807861 388500871 /nfs/dbraw/zinc/50/08/71/388500871.db2.gz YJIFZMNTCKAWLM-CLLJXQQHSA-N 1 0 241.334 3.629 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)[C@H]1CC1(C)C ZINC000397812384 262935553 /nfs/dbraw/zinc/93/55/53/262935553.db2.gz IRRGGQLGKIDYBB-CYZMBNFOSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+][C@H]1CSc2ccccc21)[C@@H]1CC1(C)C ZINC000397812385 388502168 /nfs/dbraw/zinc/50/21/68/388502168.db2.gz IRRGGQLGKIDYBB-DRZSPHRISA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+][C@H]1CSc2ccccc21)[C@H]1CC1(C)C ZINC000397812386 388502165 /nfs/dbraw/zinc/50/21/65/388502165.db2.gz IRRGGQLGKIDYBB-UHTWSYAYSA-N 1 0 247.407 3.858 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)[C@@H]1CC1(C)C ZINC000397812387 388501901 /nfs/dbraw/zinc/50/19/01/388501901.db2.gz IRRGGQLGKIDYBB-WCFLWFBJSA-N 1 0 247.407 3.858 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1C ZINC000397813104 357708643 /nfs/dbraw/zinc/70/86/43/357708643.db2.gz HERKKXNFRJTXOS-IPYPFGDCSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1C ZINC000397813112 357709201 /nfs/dbraw/zinc/70/92/01/357709201.db2.gz HERKKXNFRJTXOS-KCQAQPDRSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1C ZINC000397813114 357708784 /nfs/dbraw/zinc/70/87/84/357708784.db2.gz HERKKXNFRJTXOS-VNHYZAJKSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1C ZINC000397813117 357708716 /nfs/dbraw/zinc/70/87/16/357708716.db2.gz HERKKXNFRJTXOS-YDHLFZDLSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000397817576 357710117 /nfs/dbraw/zinc/71/01/17/357710117.db2.gz LQRVAVKUBCQQEA-CLLJXQQHSA-N 1 0 235.758 3.537 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397817664 388502026 /nfs/dbraw/zinc/50/20/26/388502026.db2.gz LUCNNBHASQBXFG-FZKCQIBNSA-N 1 0 227.351 3.526 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000397817668 388501680 /nfs/dbraw/zinc/50/16/80/388501680.db2.gz LUCNNBHASQBXFG-QKPAOTATSA-N 1 0 227.351 3.526 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000397820129 357713237 /nfs/dbraw/zinc/71/32/37/357713237.db2.gz JNZWHNOIIADWMH-IPYPFGDCSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000397820130 357712628 /nfs/dbraw/zinc/71/26/28/357712628.db2.gz JNZWHNOIIADWMH-KCQAQPDRSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000397820131 357712766 /nfs/dbraw/zinc/71/27/66/357712766.db2.gz JNZWHNOIIADWMH-VNHYZAJKSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000397820132 357713010 /nfs/dbraw/zinc/71/30/10/357713010.db2.gz JNZWHNOIIADWMH-YDHLFZDLSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(C)c1 ZINC000397824317 262936053 /nfs/dbraw/zinc/93/60/53/262936053.db2.gz PAQIKHAXQGTNRN-APIJFGDWSA-N 1 0 229.367 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(C)c1 ZINC000397824337 388503020 /nfs/dbraw/zinc/50/30/20/388503020.db2.gz PAQIKHAXQGTNRN-XQLPTFJDSA-N 1 0 229.367 3.753 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2ccccc21 ZINC000397824380 262936078 /nfs/dbraw/zinc/93/60/78/262936078.db2.gz PBGYEJRWPHALDC-GUYIQFIESA-N 1 0 227.351 3.623 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2ccccc21 ZINC000397824398 388502822 /nfs/dbraw/zinc/50/28/22/388502822.db2.gz PBGYEJRWPHALDC-VBTGVMJWSA-N 1 0 227.351 3.623 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1C ZINC000397832095 388504344 /nfs/dbraw/zinc/50/43/44/388504344.db2.gz RSMUGLQXLHUSHE-DMRZNYOFSA-N 1 0 229.367 3.753 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1C ZINC000397832098 518189840 /nfs/dbraw/zinc/18/98/40/518189840.db2.gz RSMUGLQXLHUSHE-HNKHHVNMSA-N 1 0 229.367 3.753 20 0 BHADRO CC(C)=CCC[NH2+]Cc1csc(C)c1 ZINC000397837012 262936725 /nfs/dbraw/zinc/93/67/25/262936725.db2.gz UIOZEHXZUQPYDH-UHFFFAOYSA-N 1 0 209.358 3.502 20 0 BHADRO C[C@@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000397837466 386185403 /nfs/dbraw/zinc/18/54/03/386185403.db2.gz SXNGHXWABFHVNB-DOMZBBRYSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000397837467 262746409 /nfs/dbraw/zinc/74/64/09/262746409.db2.gz SXNGHXWABFHVNB-IUODEOHRSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000397837468 386184126 /nfs/dbraw/zinc/18/41/26/386184126.db2.gz SXNGHXWABFHVNB-SWLSCSKDSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000397837469 386184409 /nfs/dbraw/zinc/18/44/09/386184409.db2.gz SXNGHXWABFHVNB-WFASDCNBSA-N 1 0 246.398 3.595 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397838819 388504667 /nfs/dbraw/zinc/50/46/67/388504667.db2.gz UYBWSECFCVNWJV-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397838826 388504451 /nfs/dbraw/zinc/50/44/51/388504451.db2.gz UYBWSECFCVNWJV-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397841145 262936955 /nfs/dbraw/zinc/93/69/55/262936955.db2.gz VTUNAXPJIUFWQA-FZKCQIBNSA-N 1 0 229.367 3.772 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000397841148 262936948 /nfs/dbraw/zinc/93/69/48/262936948.db2.gz VTUNAXPJIUFWQA-QKPAOTATSA-N 1 0 229.367 3.772 20 0 BHADRO Cc1nocc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000397844414 488159496 /nfs/dbraw/zinc/15/94/96/488159496.db2.gz DJUNKIQRPRQOBC-UHFFFAOYSA-N 1 0 248.370 3.576 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)[C@H]1CC1(C)C ZINC000397853241 398123783 /nfs/dbraw/zinc/12/37/83/398123783.db2.gz SLZZEYATMIWMSZ-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)[C@@H]1CC1(C)C ZINC000397853244 262937398 /nfs/dbraw/zinc/93/73/98/262937398.db2.gz SLZZEYATMIWMSZ-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCCCSC)[C@@H]1CC1(C)C ZINC000397853245 398123644 /nfs/dbraw/zinc/12/36/44/398123644.db2.gz SLZZEYATMIWMSZ-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCCCSC)[C@H]1CC1(C)C ZINC000397853248 262937460 /nfs/dbraw/zinc/93/74/60/262937460.db2.gz SLZZEYATMIWMSZ-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC=C(C)C ZINC000397853673 388506687 /nfs/dbraw/zinc/50/66/87/388506687.db2.gz TXNWRQPZLFAZND-INIZCTEOSA-N 1 0 231.383 3.954 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC=C(C)C ZINC000397853675 388506327 /nfs/dbraw/zinc/50/63/27/388506327.db2.gz TXNWRQPZLFAZND-MRXNPFEDSA-N 1 0 231.383 3.954 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000397854333 388506503 /nfs/dbraw/zinc/50/65/03/388506503.db2.gz UFEZUONGNKUWGQ-HNNXBMFYSA-N 1 0 231.383 3.954 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000397854335 262938076 /nfs/dbraw/zinc/93/80/76/262938076.db2.gz UFEZUONGNKUWGQ-OAHLLOKOSA-N 1 0 231.383 3.954 20 0 BHADRO CC[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CC1(C)C ZINC000397859487 388506526 /nfs/dbraw/zinc/50/65/26/388506526.db2.gz XUVCQTAKSVSMFV-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC1(C)C ZINC000397859490 262938094 /nfs/dbraw/zinc/93/80/94/262938094.db2.gz XUVCQTAKSVSMFV-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC1(C)C ZINC000397859491 262938166 /nfs/dbraw/zinc/93/81/66/262938166.db2.gz XUVCQTAKSVSMFV-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CC1(C)C ZINC000397859494 388506102 /nfs/dbraw/zinc/50/61/02/388506102.db2.gz XUVCQTAKSVSMFV-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000397862062 388507350 /nfs/dbraw/zinc/50/73/50/388507350.db2.gz YDSUBJFFDBDFOF-INIZCTEOSA-N 1 0 229.367 3.928 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000397862063 388506941 /nfs/dbraw/zinc/50/69/41/388506941.db2.gz YDSUBJFFDBDFOF-MRXNPFEDSA-N 1 0 229.367 3.928 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)CS1 ZINC000397863608 388507521 /nfs/dbraw/zinc/50/75/21/388507521.db2.gz PLZQNRRJRUYLOS-ABAIWWIYSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CS1 ZINC000397863609 388507555 /nfs/dbraw/zinc/50/75/55/388507555.db2.gz PLZQNRRJRUYLOS-IAQYHMDHSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)CS1 ZINC000397863611 388507687 /nfs/dbraw/zinc/50/76/87/388507687.db2.gz PLZQNRRJRUYLOS-NHYWBVRUSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CS1 ZINC000397863613 262938590 /nfs/dbraw/zinc/93/85/90/262938590.db2.gz PLZQNRRJRUYLOS-XHDPSFHLSA-N 1 0 247.407 3.548 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CC1(C)C ZINC000397864782 388507336 /nfs/dbraw/zinc/50/73/36/388507336.db2.gz YURTWVSTMUXOHG-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)[C@H]1CC1(C)C ZINC000397864783 262938584 /nfs/dbraw/zinc/93/85/84/262938584.db2.gz YURTWVSTMUXOHG-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CC1(C)C ZINC000397864784 262938541 /nfs/dbraw/zinc/93/85/41/262938541.db2.gz YURTWVSTMUXOHG-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CC1(C)C ZINC000397864785 262938406 /nfs/dbraw/zinc/93/84/06/262938406.db2.gz YURTWVSTMUXOHG-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000397870311 388507702 /nfs/dbraw/zinc/50/77/02/388507702.db2.gz ZTXPTBKOGJMJFW-HUBLWGQQSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000397870320 388507282 /nfs/dbraw/zinc/50/72/82/388507282.db2.gz ZTXPTBKOGJMJFW-SLEUVZQESA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000397870330 262938445 /nfs/dbraw/zinc/93/84/45/262938445.db2.gz ZTXPTBKOGJMJFW-YWPYICTPSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000397870334 388507405 /nfs/dbraw/zinc/50/74/05/388507405.db2.gz ZTXPTBKOGJMJFW-ZOWXZIJZSA-N 1 0 247.382 3.780 20 0 BHADRO COCCC(C)(C)[NH2+]CCCC1CCCCC1 ZINC000397871549 388508381 /nfs/dbraw/zinc/50/83/81/388508381.db2.gz IESQFZJEBIGKMS-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)CS1 ZINC000397871746 262938450 /nfs/dbraw/zinc/93/84/50/262938450.db2.gz SZMKOUDIKFQQSM-FJJYHAOUSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CS1 ZINC000397871747 388508032 /nfs/dbraw/zinc/50/80/32/388508032.db2.gz SZMKOUDIKFQQSM-MCYUEQNJSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)CS1 ZINC000397872095 323099587 /nfs/dbraw/zinc/09/95/87/323099587.db2.gz SZMKOUDIKFQQSM-OXIQGZBJSA-N 1 0 247.407 3.719 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)CS1 ZINC000397872097 388508329 /nfs/dbraw/zinc/50/83/29/388508329.db2.gz SZMKOUDIKFQQSM-OZTPJHRESA-N 1 0 247.407 3.719 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cc1C ZINC000397872947 262746875 /nfs/dbraw/zinc/74/68/75/262746875.db2.gz UDPHTABEENOPPE-IPYPFGDCSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cc1C ZINC000397872949 386483425 /nfs/dbraw/zinc/48/34/25/386483425.db2.gz UDPHTABEENOPPE-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ncc(C[NH2+]C(CC(C)C)CC(C)C)o1 ZINC000397872950 386484331 /nfs/dbraw/zinc/48/43/31/386484331.db2.gz ISERJVBWBMIROK-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cc1C ZINC000397872952 388508516 /nfs/dbraw/zinc/50/85/16/388508516.db2.gz UDPHTABEENOPPE-VNHYZAJKSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cc1C ZINC000397872954 262939067 /nfs/dbraw/zinc/93/90/67/262939067.db2.gz UDPHTABEENOPPE-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CS1 ZINC000397876598 488161158 /nfs/dbraw/zinc/16/11/58/488161158.db2.gz WALLQDOIWVSFDU-BXUZGUMPSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CS1 ZINC000397876601 488161205 /nfs/dbraw/zinc/16/12/05/488161205.db2.gz WALLQDOIWVSFDU-FZMZJTMJSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CS1 ZINC000397876604 488161220 /nfs/dbraw/zinc/16/12/20/488161220.db2.gz WALLQDOIWVSFDU-RISCZKNCSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CS1 ZINC000397876607 488161263 /nfs/dbraw/zinc/16/12/63/488161263.db2.gz WALLQDOIWVSFDU-SMDDNHRTSA-N 1 0 247.407 3.548 20 0 BHADRO COCCC(C)(C)[NH2+]CC1CCC(C)(C)CC1 ZINC000397880182 388507982 /nfs/dbraw/zinc/50/79/82/388507982.db2.gz MEWNWVIJFGYWKA-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CS1 ZINC000397881612 388508999 /nfs/dbraw/zinc/50/89/99/388508999.db2.gz YWXXBCJRSOMAMM-ABAIWWIYSA-N 1 0 247.407 3.548 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)CCOC)C1 ZINC000397881614 357781083 /nfs/dbraw/zinc/78/10/83/357781083.db2.gz NDYRQZPJPOHZJX-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CS1 ZINC000397881616 388509219 /nfs/dbraw/zinc/50/92/19/388509219.db2.gz YWXXBCJRSOMAMM-IAQYHMDHSA-N 1 0 247.407 3.548 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)CCOC)C1 ZINC000397881617 357781126 /nfs/dbraw/zinc/78/11/26/357781126.db2.gz NDYRQZPJPOHZJX-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)CCOC)C1 ZINC000397881619 357781415 /nfs/dbraw/zinc/78/14/15/357781415.db2.gz NDYRQZPJPOHZJX-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CS1 ZINC000397881620 388508991 /nfs/dbraw/zinc/50/89/91/388508991.db2.gz YWXXBCJRSOMAMM-NHYWBVRUSA-N 1 0 247.407 3.548 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)CCOC)C1 ZINC000397881622 357781377 /nfs/dbraw/zinc/78/13/77/357781377.db2.gz NDYRQZPJPOHZJX-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CS1 ZINC000397881623 388509063 /nfs/dbraw/zinc/50/90/63/388509063.db2.gz YWXXBCJRSOMAMM-XHDPSFHLSA-N 1 0 247.407 3.548 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1 ZINC000397883297 388509179 /nfs/dbraw/zinc/50/91/79/388509179.db2.gz OVMMSGYSOMQZEK-AYRXBEOTSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1 ZINC000397883308 388508993 /nfs/dbraw/zinc/50/89/93/388508993.db2.gz OVMMSGYSOMQZEK-NEBZKDRISA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)CS1 ZINC000397893149 262939646 /nfs/dbraw/zinc/93/96/46/262939646.db2.gz QVFDCHHTRGUARD-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)CS1 ZINC000397893151 388509944 /nfs/dbraw/zinc/50/99/44/388509944.db2.gz QVFDCHHTRGUARD-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CS1 ZINC000397893153 388509726 /nfs/dbraw/zinc/50/97/26/388509726.db2.gz QVFDCHHTRGUARD-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)CS1 ZINC000397893529 388510196 /nfs/dbraw/zinc/51/01/96/388510196.db2.gz QVFDCHHTRGUARD-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(C)cc1 ZINC000397908145 388511341 /nfs/dbraw/zinc/51/13/41/388511341.db2.gz BIHJLXKVZJAXMF-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(C)cc1 ZINC000397908147 388511141 /nfs/dbraw/zinc/51/11/41/388511141.db2.gz BIHJLXKVZJAXMF-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO COCCC(C)(C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000397915086 411243904 /nfs/dbraw/zinc/24/39/04/411243904.db2.gz GIQCRJRCFJFDJF-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO COCCC(C)(C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000397915088 262940497 /nfs/dbraw/zinc/94/04/97/262940497.db2.gz GIQCRJRCFJFDJF-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC000397915532 398124646 /nfs/dbraw/zinc/12/46/46/398124646.db2.gz GQLGHTOHRDCUNE-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC000397915537 398124378 /nfs/dbraw/zinc/12/43/78/398124378.db2.gz GQLGHTOHRDCUNE-OAHLLOKOSA-N 1 0 244.338 3.614 20 0 BHADRO COCCC(C)(C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000397950094 357812830 /nfs/dbraw/zinc/81/28/30/357812830.db2.gz OPSWHJUOTKMSAH-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)o1)c1cccc(C)c1 ZINC000397957763 388513587 /nfs/dbraw/zinc/51/35/87/388513587.db2.gz SPAVWXBUFUNFKD-HNNXBMFYSA-N 1 0 244.338 3.532 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cccc(C)c1 ZINC000397957765 262941070 /nfs/dbraw/zinc/94/10/70/262941070.db2.gz SPAVWXBUFUNFKD-OAHLLOKOSA-N 1 0 244.338 3.532 20 0 BHADRO COCCC(C)(C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000397959411 357813144 /nfs/dbraw/zinc/81/31/44/357813144.db2.gz UDOZEVJNTYOTHA-UHFFFAOYSA-N 1 0 249.398 3.517 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC1(F)F)c1ccccc1 ZINC000397993188 583115546 /nfs/dbraw/zinc/11/55/46/583115546.db2.gz JJLFYJAWRXLHJX-AAEUAGOBSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC1(F)F)c1ccccc1 ZINC000397993189 583115465 /nfs/dbraw/zinc/11/54/65/583115465.db2.gz JJLFYJAWRXLHJX-DGCLKSJQSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC1(F)F)c1ccccc1 ZINC000397993190 583115595 /nfs/dbraw/zinc/11/55/95/583115595.db2.gz JJLFYJAWRXLHJX-WCQYABFASA-N 1 0 239.309 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC1(F)F)c1ccccc1 ZINC000397993191 583115881 /nfs/dbraw/zinc/11/58/81/583115881.db2.gz JJLFYJAWRXLHJX-YPMHNXCESA-N 1 0 239.309 3.568 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)CCC1CC1 ZINC000398018518 322822807 /nfs/dbraw/zinc/82/28/07/322822807.db2.gz AYDNBONNJCDVFE-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)CCC1CC1 ZINC000398018519 322822795 /nfs/dbraw/zinc/82/27/95/322822795.db2.gz AYDNBONNJCDVFE-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000398024706 388514433 /nfs/dbraw/zinc/51/44/33/388514433.db2.gz GMVAHGACISGCAB-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000398024707 388514832 /nfs/dbraw/zinc/51/48/32/388514832.db2.gz GMVAHGACISGCAB-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000398024708 384483185 /nfs/dbraw/zinc/48/31/85/384483185.db2.gz GMVAHGACISGCAB-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000398024709 384481598 /nfs/dbraw/zinc/48/15/98/384481598.db2.gz GMVAHGACISGCAB-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCc2cccnc21 ZINC000398033912 583117934 /nfs/dbraw/zinc/11/79/34/583117934.db2.gz LPOQCSFHLUIBEM-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000398033913 583117578 /nfs/dbraw/zinc/11/75/78/583117578.db2.gz LPOQCSFHLUIBEM-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000398033914 583117596 /nfs/dbraw/zinc/11/75/96/583117596.db2.gz LPOQCSFHLUIBEM-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCc2cccnc21 ZINC000398033915 583117791 /nfs/dbraw/zinc/11/77/91/583117791.db2.gz LPOQCSFHLUIBEM-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000398033923 388515329 /nfs/dbraw/zinc/51/53/29/388515329.db2.gz LQEMOICIBLKIKV-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000398033924 388515832 /nfs/dbraw/zinc/51/58/32/388515832.db2.gz LQEMOICIBLKIKV-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000398033925 384516390 /nfs/dbraw/zinc/51/63/90/384516390.db2.gz LQEMOICIBLKIKV-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)c1 ZINC000398033926 384515573 /nfs/dbraw/zinc/51/55/73/384515573.db2.gz LQEMOICIBLKIKV-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC2CC2)cc(C)c1O ZINC000398035582 357829773 /nfs/dbraw/zinc/82/97/73/357829773.db2.gz MTEMIZUYTKJZOW-CYBMUJFWSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC2CC2)cc(C)c1O ZINC000398035583 357829735 /nfs/dbraw/zinc/82/97/35/357829735.db2.gz MTEMIZUYTKJZOW-ZDUSSCGKSA-N 1 0 247.382 3.677 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC2CC2)cc1 ZINC000398037163 388516108 /nfs/dbraw/zinc/51/61/08/388516108.db2.gz NPSODBPRILACFF-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)CCC2CC2)cc1 ZINC000398037507 262941933 /nfs/dbraw/zinc/94/19/33/262941933.db2.gz NPSODBPRILACFF-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000398037508 262941987 /nfs/dbraw/zinc/94/19/87/262941987.db2.gz NPSODBPRILACFF-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000398037509 262941985 /nfs/dbraw/zinc/94/19/85/262941985.db2.gz NPSODBPRILACFF-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000398037573 262942382 /nfs/dbraw/zinc/94/23/82/262942382.db2.gz NTKBZZYMXMWCMZ-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000398037574 262942064 /nfs/dbraw/zinc/94/20/64/262942064.db2.gz NTKBZZYMXMWCMZ-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000398037575 262942207 /nfs/dbraw/zinc/94/22/07/262942207.db2.gz NTKBZZYMXMWCMZ-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000398037576 262942385 /nfs/dbraw/zinc/94/23/85/262942385.db2.gz NTKBZZYMXMWCMZ-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000398041392 388516044 /nfs/dbraw/zinc/51/60/44/388516044.db2.gz QGDHPBQPCWHNSO-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000398041395 388515405 /nfs/dbraw/zinc/51/54/05/388515405.db2.gz QGDHPBQPCWHNSO-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000398041396 388515656 /nfs/dbraw/zinc/51/56/56/388515656.db2.gz QGDHPBQPCWHNSO-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000398041398 262942092 /nfs/dbraw/zinc/94/20/92/262942092.db2.gz QGDHPBQPCWHNSO-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000398045357 388515935 /nfs/dbraw/zinc/51/59/35/388515935.db2.gz SQHGVVXGRRICHJ-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000398045359 262942737 /nfs/dbraw/zinc/94/27/37/262942737.db2.gz SQHGVVXGRRICHJ-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000398045491 262942771 /nfs/dbraw/zinc/94/27/71/262942771.db2.gz STDOJVFHGSQDFJ-CXAGYDPISA-N 1 0 243.394 3.712 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000398045495 388515502 /nfs/dbraw/zinc/51/55/02/388515502.db2.gz STDOJVFHGSQDFJ-DYVFJYSZSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000398045499 388515457 /nfs/dbraw/zinc/51/54/57/388515457.db2.gz STDOJVFHGSQDFJ-GUYCJALGSA-N 1 0 243.394 3.712 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000398045502 322836533 /nfs/dbraw/zinc/83/65/33/322836533.db2.gz STDOJVFHGSQDFJ-SUMWQHHRSA-N 1 0 243.394 3.712 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H](C)CCC1CC1 ZINC000398046665 262714075 /nfs/dbraw/zinc/71/40/75/262714075.db2.gz TZSAOFRDJZRAMB-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H](C)CCC1CC1 ZINC000398046666 384663130 /nfs/dbraw/zinc/66/31/30/384663130.db2.gz TZSAOFRDJZRAMB-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)([NH2+]Cc1cccc2cc[nH]c21)C1CCC1 ZINC000398049636 388515789 /nfs/dbraw/zinc/51/57/89/388515789.db2.gz CXDDKXRQEBVNBW-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000398049821 384676537 /nfs/dbraw/zinc/67/65/37/384676537.db2.gz VVNDCGRCNYYZDK-ABAIWWIYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000398049822 384677076 /nfs/dbraw/zinc/67/70/76/384677076.db2.gz VVNDCGRCNYYZDK-IAQYHMDHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000398049823 384676704 /nfs/dbraw/zinc/67/67/04/384676704.db2.gz VVNDCGRCNYYZDK-NHYWBVRUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000398049824 262714006 /nfs/dbraw/zinc/71/40/06/262714006.db2.gz VVNDCGRCNYYZDK-XHDPSFHLSA-N 1 0 245.366 3.548 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1 ZINC000398049825 384676283 /nfs/dbraw/zinc/67/62/83/384676283.db2.gz VVPSJSXQSMJOJD-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000398049826 384675792 /nfs/dbraw/zinc/67/57/92/384675792.db2.gz VVPSJSXQSMJOJD-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H](C)CCC1CC1 ZINC000398052758 384726430 /nfs/dbraw/zinc/72/64/30/384726430.db2.gz BLUXZKWUFFLMJS-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCC1CC1 ZINC000398052759 384731078 /nfs/dbraw/zinc/73/10/78/384731078.db2.gz BLUXZKWUFFLMJS-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C2CCC2)cs1 ZINC000398055258 388516747 /nfs/dbraw/zinc/51/67/47/388516747.db2.gz DIQGMQQPVFJJJW-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)CCC1CC1 ZINC000398055715 388516361 /nfs/dbraw/zinc/51/63/61/388516361.db2.gz DUCDADSFGRHQBR-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCc1ccco1 ZINC000398055716 388516834 /nfs/dbraw/zinc/51/68/34/388516834.db2.gz DUCDADSFGRHQBR-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)CCC1CC1 ZINC000398055717 388517311 /nfs/dbraw/zinc/51/73/11/388517311.db2.gz DUCDADSFGRHQBR-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)CCC1CC1 ZINC000398055718 262942644 /nfs/dbraw/zinc/94/26/44/262942644.db2.gz DUCDADSFGRHQBR-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C)C1CCC1 ZINC000398059135 388516922 /nfs/dbraw/zinc/51/69/22/388516922.db2.gz GMIIZHQGUULCRH-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)C2CCC2)s1 ZINC000398060417 262942593 /nfs/dbraw/zinc/94/25/93/262942593.db2.gz GXXZRALNBPFFNH-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C)C1CCC1 ZINC000398063466 388516546 /nfs/dbraw/zinc/51/65/46/388516546.db2.gz IJOVNJYUMSUDFX-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)Cc1ccccc1F ZINC000398065297 388516755 /nfs/dbraw/zinc/51/67/55/388516755.db2.gz HPZWUKGPKYSSTC-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000398065302 262942600 /nfs/dbraw/zinc/94/26/00/262942600.db2.gz HPZWUKGPKYSSTC-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CCC1CC1 ZINC000398065307 388516374 /nfs/dbraw/zinc/51/63/74/388516374.db2.gz HPZWUKGPKYSSTC-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000398065311 388517131 /nfs/dbraw/zinc/51/71/31/388517131.db2.gz HPZWUKGPKYSSTC-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000398066575 357833177 /nfs/dbraw/zinc/83/31/77/357833177.db2.gz FELSCKREPFDODX-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000398066577 357833329 /nfs/dbraw/zinc/83/33/29/357833329.db2.gz FELSCKREPFDODX-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)([NH2+]Cc1ccc(F)c(F)c1)C1CCC1 ZINC000398069618 384783823 /nfs/dbraw/zinc/78/38/23/384783823.db2.gz JBUKWPQNSJTEEE-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO CC(C)([NH2+]Cc1cccc(F)c1F)C1CCC1 ZINC000398069704 357833936 /nfs/dbraw/zinc/83/39/36/357833936.db2.gz JHZZFQMVSAPODS-UHFFFAOYSA-N 1 0 239.309 3.633 20 0 BHADRO CC(C)([NH2+]Cc1ccc(Cl)o1)C1CCC1 ZINC000398073037 324216961 /nfs/dbraw/zinc/21/69/61/324216961.db2.gz ANOVDGKZBWGGRJ-UHFFFAOYSA-N 1 0 227.735 3.601 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000398076257 488207425 /nfs/dbraw/zinc/20/74/25/488207425.db2.gz IOXVYSKHTNZVNJ-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000398076260 488207558 /nfs/dbraw/zinc/20/75/58/488207558.db2.gz IOXVYSKHTNZVNJ-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000398086664 384796701 /nfs/dbraw/zinc/79/67/01/384796701.db2.gz QFYWLDVZWVUSPD-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000398086665 384797359 /nfs/dbraw/zinc/79/73/59/384797359.db2.gz QFYWLDVZWVUSPD-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCC1CC1 ZINC000398086666 384796191 /nfs/dbraw/zinc/79/61/91/384796191.db2.gz QFYWLDVZWVUSPD-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000398086667 384796868 /nfs/dbraw/zinc/79/68/68/384796868.db2.gz QFYWLDVZWVUSPD-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)([NH2+]Cc1ccc2[nH]ccc2c1)C1CCC1 ZINC000398086949 357839725 /nfs/dbraw/zinc/83/97/25/357839725.db2.gz OAERCJMGRUSIOR-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000398089641 711400822 /nfs/dbraw/zinc/40/08/22/711400822.db2.gz RLVPGTJBAFYONX-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000398089643 711400934 /nfs/dbraw/zinc/40/09/34/711400934.db2.gz RLVPGTJBAFYONX-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)CCC1CC1 ZINC000398089646 711400565 /nfs/dbraw/zinc/40/05/65/711400565.db2.gz RLVPGTJBAFYONX-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000398089649 711708709 /nfs/dbraw/zinc/70/87/09/711708709.db2.gz RLVPGTJBAFYONX-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)([NH2+]Cc1ccc2cc[nH]c2c1)C1CCC1 ZINC000398104521 357837953 /nfs/dbraw/zinc/83/79/53/357837953.db2.gz VAVXPRFNINUTMU-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)C2CCC2)o1 ZINC000398111494 324217848 /nfs/dbraw/zinc/21/78/48/324217848.db2.gz NDDLDPPYNJEESP-UHFFFAOYSA-N 1 0 221.344 3.510 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCOc1ccccc1 ZINC000398111966 384807544 /nfs/dbraw/zinc/80/75/44/384807544.db2.gz YUEUHNKOXUJYCW-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCOc1ccccc1 ZINC000398111968 322864607 /nfs/dbraw/zinc/86/46/07/322864607.db2.gz YUEUHNKOXUJYCW-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO CCOc1cccc(C[NH2+]C2(C3(C)CC3)CC2)c1 ZINC000398116523 384807262 /nfs/dbraw/zinc/80/72/62/384807262.db2.gz ACNTUZJQTMSYNY-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1nocc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000398116888 488211359 /nfs/dbraw/zinc/21/13/59/488211359.db2.gz VFXQGESJIRDVBK-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1nocc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000398116889 488211209 /nfs/dbraw/zinc/21/12/09/488211209.db2.gz VFXQGESJIRDVBK-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCc1ccccc1 ZINC000398121228 324218082 /nfs/dbraw/zinc/21/80/82/324218082.db2.gz AZTIVAOJAXECDP-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCc1ccccc1 ZINC000398121229 324217876 /nfs/dbraw/zinc/21/78/76/324217876.db2.gz AZTIVAOJAXECDP-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000398121990 384809784 /nfs/dbraw/zinc/80/97/84/384809784.db2.gz BETVUOSLFCGHJQ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000398121993 384812523 /nfs/dbraw/zinc/81/25/23/384812523.db2.gz BETVUOSLFCGHJQ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000398121996 384810653 /nfs/dbraw/zinc/81/06/53/384810653.db2.gz BETVUOSLFCGHJQ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000398121997 384812861 /nfs/dbraw/zinc/81/28/61/384812861.db2.gz BETVUOSLFCGHJQ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1F ZINC000398123587 384806779 /nfs/dbraw/zinc/80/67/79/384806779.db2.gz BRUONEHVNOVRRZ-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1F ZINC000398123588 322865020 /nfs/dbraw/zinc/86/50/20/322865020.db2.gz BRUONEHVNOVRRZ-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO COC1(C[NH2+][C@H](C)CCC2CC2)CCCCC1 ZINC000398125839 384814323 /nfs/dbraw/zinc/81/43/23/384814323.db2.gz SUFWNMKPKZJYGV-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)CCC2CC2)CCCCC1 ZINC000398125843 384815091 /nfs/dbraw/zinc/81/50/91/384815091.db2.gz SUFWNMKPKZJYGV-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C[NH2+]C2(C3(C)CC3)CC2)ccc1F ZINC000398126581 384814546 /nfs/dbraw/zinc/81/45/46/384814546.db2.gz HNCKCBKNYSPFRG-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000398131179 324218249 /nfs/dbraw/zinc/21/82/49/324218249.db2.gz FMFDPRPQWSYCHO-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000398131180 324218137 /nfs/dbraw/zinc/21/81/37/324218137.db2.gz FMFDPRPQWSYCHO-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000398131181 324217792 /nfs/dbraw/zinc/21/77/92/324217792.db2.gz FMFDPRPQWSYCHO-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000398131182 324218073 /nfs/dbraw/zinc/21/80/73/324218073.db2.gz FMFDPRPQWSYCHO-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CSc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1 ZINC000398142505 490167357 /nfs/dbraw/zinc/16/73/57/490167357.db2.gz ROPHMDGSGNFIBE-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000398144334 343071807 /nfs/dbraw/zinc/07/18/07/343071807.db2.gz KSZBYTCZZVVFFV-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000398144335 343071602 /nfs/dbraw/zinc/07/16/02/343071602.db2.gz KSZBYTCZZVVFFV-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC2CC2)ccc1F ZINC000398144336 343071873 /nfs/dbraw/zinc/07/18/73/343071873.db2.gz KTBGNHKRJQEARJ-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC2CC2)ccc1F ZINC000398144337 343071764 /nfs/dbraw/zinc/07/17/64/343071764.db2.gz KTBGNHKRJQEARJ-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1F ZINC000398149401 384818839 /nfs/dbraw/zinc/81/88/39/384818839.db2.gz SHDMYTQVEMDXND-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO CCOc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1 ZINC000398156639 384819188 /nfs/dbraw/zinc/81/91/88/384819188.db2.gz XKXOPJOQCZJRJE-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1(C2(C)CC2)CC1 ZINC000398157582 262943201 /nfs/dbraw/zinc/94/32/01/262943201.db2.gz XSKQRJJTDUMHKC-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO CC(C)([NH2+]C[C@@H]1CC=CCC1)C1CCC1 ZINC000398157856 384819754 /nfs/dbraw/zinc/81/97/54/384819754.db2.gz PRQAJYUNSWRWNI-GFCCVEGCSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)([NH2+]C[C@H]1CC=CCC1)C1CCC1 ZINC000398157858 384820025 /nfs/dbraw/zinc/82/00/25/384820025.db2.gz PRQAJYUNSWRWNI-LBPRGKRZSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cccc(F)c1F ZINC000398158361 357850976 /nfs/dbraw/zinc/85/09/76/357850976.db2.gz HDEHJHARALVDDC-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cccc(F)c1F ZINC000398158364 357850672 /nfs/dbraw/zinc/85/06/72/357850672.db2.gz HDEHJHARALVDDC-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000398158749 384822236 /nfs/dbraw/zinc/82/22/36/384822236.db2.gz JREMFOSNJSZSSM-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000398158751 384821895 /nfs/dbraw/zinc/82/18/95/384821895.db2.gz JREMFOSNJSZSSM-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000398158752 384823227 /nfs/dbraw/zinc/82/32/27/384823227.db2.gz JREMFOSNJSZSSM-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000398158754 384823750 /nfs/dbraw/zinc/82/37/50/384823750.db2.gz JREMFOSNJSZSSM-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2(C3(C)CC3)CC2)c1 ZINC000398160089 384821251 /nfs/dbraw/zinc/82/12/51/384821251.db2.gz ZFQYZLUJYKWGCY-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C/C=C\c1ccccc1 ZINC000398161969 388518457 /nfs/dbraw/zinc/51/84/57/388518457.db2.gz QSCFCEGNGIYDAO-BMWLXYDHSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C/C=C/c1ccccc1 ZINC000398161970 388518511 /nfs/dbraw/zinc/51/85/11/388518511.db2.gz QSCFCEGNGIYDAO-GPAKFWEMSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C/C=C/c1ccccc1 ZINC000398161971 262943067 /nfs/dbraw/zinc/94/30/67/262943067.db2.gz QSCFCEGNGIYDAO-LHRNQBEKSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C/C=C\c1ccccc1 ZINC000398161972 388518283 /nfs/dbraw/zinc/51/82/83/388518283.db2.gz QSCFCEGNGIYDAO-PODYEWJSSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000398168130 384821295 /nfs/dbraw/zinc/82/12/95/384821295.db2.gz STGKZCZFRLRETM-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000398168131 384822359 /nfs/dbraw/zinc/82/23/59/384822359.db2.gz STGKZCZFRLRETM-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000398168133 384822774 /nfs/dbraw/zinc/82/27/74/384822774.db2.gz STGKZCZFRLRETM-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000398168134 384822706 /nfs/dbraw/zinc/82/27/06/384822706.db2.gz STGKZCZFRLRETM-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCSc1ccccc1 ZINC000398183134 384833850 /nfs/dbraw/zinc/83/38/50/384833850.db2.gz UDPHHKXUVVRQNF-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCSc1ccccc1 ZINC000398183136 384834243 /nfs/dbraw/zinc/83/42/43/384834243.db2.gz UDPHHKXUVVRQNF-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000398190471 410947100 /nfs/dbraw/zinc/94/71/00/410947100.db2.gz JURVEZPGUFTGGL-NEPJUHHUSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000398190473 410947603 /nfs/dbraw/zinc/94/76/03/410947603.db2.gz JURVEZPGUFTGGL-NWDGAFQWSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000398190477 410947045 /nfs/dbraw/zinc/94/70/45/410947045.db2.gz JURVEZPGUFTGGL-RYUDHWBXSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000398190481 410948077 /nfs/dbraw/zinc/94/80/77/410948077.db2.gz JURVEZPGUFTGGL-VXGBXAGGSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000398190562 583123683 /nfs/dbraw/zinc/12/36/83/583123683.db2.gz JWQVFKVXBADQFQ-AGIUHOORSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000398190565 583123649 /nfs/dbraw/zinc/12/36/49/583123649.db2.gz JWQVFKVXBADQFQ-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000398190568 583124103 /nfs/dbraw/zinc/12/41/03/583124103.db2.gz JWQVFKVXBADQFQ-UPJWGTAASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000398190570 583123974 /nfs/dbraw/zinc/12/39/74/583123974.db2.gz JWQVFKVXBADQFQ-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000398190627 583123574 /nfs/dbraw/zinc/12/35/74/583123574.db2.gz JWYNIUJIPMWHSZ-CYZMBNFOSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000398190630 583123895 /nfs/dbraw/zinc/12/38/95/583123895.db2.gz JWYNIUJIPMWHSZ-DRZSPHRISA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000398190632 583123832 /nfs/dbraw/zinc/12/38/32/583123832.db2.gz JWYNIUJIPMWHSZ-UHTWSYAYSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000398190636 583124233 /nfs/dbraw/zinc/12/42/33/583124233.db2.gz JWYNIUJIPMWHSZ-WCFLWFBJSA-N 1 0 243.341 3.756 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC2CC2)cs1 ZINC000398195206 384838445 /nfs/dbraw/zinc/83/84/45/384838445.db2.gz CGPNLFPMCUGQME-JTQLQIEISA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC2CC2)cs1 ZINC000398195211 384838595 /nfs/dbraw/zinc/83/85/95/384838595.db2.gz CGPNLFPMCUGQME-SNVBAGLBSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C2CCC2)cc(C)c1O ZINC000398196746 397980581 /nfs/dbraw/zinc/98/05/81/397980581.db2.gz CVGYSFQCKUDDBT-UHFFFAOYSA-N 1 0 247.382 3.677 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1C ZINC000398196840 397980854 /nfs/dbraw/zinc/98/08/54/397980854.db2.gz CZKNNKDYLLGWHH-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1C ZINC000398196841 397980416 /nfs/dbraw/zinc/98/04/16/397980416.db2.gz CZKNNKDYLLGWHH-IJEWVQPXSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1C ZINC000398196842 397981460 /nfs/dbraw/zinc/98/14/60/397981460.db2.gz CZKNNKDYLLGWHH-OFQRWUPVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1C ZINC000398196843 397981000 /nfs/dbraw/zinc/98/10/00/397981000.db2.gz CZKNNKDYLLGWHH-YCPHGPKFSA-N 1 0 247.382 3.522 20 0 BHADRO COCc1ccc(C[NH2+]C(C)(C)C2CCC2)cc1 ZINC000398198673 322866193 /nfs/dbraw/zinc/86/61/93/322866193.db2.gz DOCFLJQYBYJMAF-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1cccc(C[NH2+]C(C)(C)C2CCC2)c1 ZINC000398202151 343088196 /nfs/dbraw/zinc/08/81/96/343088196.db2.gz FVXNKCWSJCCVCG-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1cc(C[NH2+]C2(C3(C)CC3)CC2)c(C)s1 ZINC000398204074 357864227 /nfs/dbraw/zinc/86/42/27/357864227.db2.gz BDPPCMHZCIHYLH-UHFFFAOYSA-N 1 0 235.396 3.787 20 0 BHADRO CC1(C2([NH2+]Cc3ccc(Cl)cc3)CC2)CC1 ZINC000398204972 384841790 /nfs/dbraw/zinc/84/17/90/384841790.db2.gz BVDWFZAMRBQHFY-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO CC1(C2([NH2+]Cc3coc4ccccc34)CC2)CC1 ZINC000398208063 322866669 /nfs/dbraw/zinc/86/66/69/322866669.db2.gz DYYWURQWZRGCEZ-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO C[C@H](C[NH2+]C1(C2(C)CC2)CC1)c1ccccc1 ZINC000398208935 384845517 /nfs/dbraw/zinc/84/55/17/384845517.db2.gz FPSLXKIFAFUJJF-CYBMUJFWSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+]C1(C2(C)CC2)CC1)c1ccccc1 ZINC000398208940 384844926 /nfs/dbraw/zinc/84/49/26/384844926.db2.gz FPSLXKIFAFUJJF-ZDUSSCGKSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC000398211500 357872583 /nfs/dbraw/zinc/87/25/83/357872583.db2.gz JWAYTUREMWFCGM-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2ccccc21 ZINC000398211501 357872322 /nfs/dbraw/zinc/87/23/22/357872322.db2.gz JWAYTUREMWFCGM-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC000398211502 357872132 /nfs/dbraw/zinc/87/21/32/357872132.db2.gz JWAYTUREMWFCGM-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2ccccc21 ZINC000398211503 357872177 /nfs/dbraw/zinc/87/21/77/357872177.db2.gz JWAYTUREMWFCGM-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO CC1(C2([NH2+]Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000398211759 357872370 /nfs/dbraw/zinc/87/23/70/357872370.db2.gz HVCKYDONADOJPT-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC1(C2([NH2+]Cc3cc4ccccc4o3)CC2)CC1 ZINC000398217859 384852215 /nfs/dbraw/zinc/85/22/15/384852215.db2.gz MXSMOWMXPCWHQV-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO CC1(C2([NH2+]Cc3cc(Cl)cs3)CC2)CC1 ZINC000398221797 384854354 /nfs/dbraw/zinc/85/43/54/384854354.db2.gz PLPGOYVWGAFJJD-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO FC1(F)CCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000398225779 583125284 /nfs/dbraw/zinc/12/52/84/583125284.db2.gz UUOADQBIXSWHIU-GFCCVEGCSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000398225781 583124732 /nfs/dbraw/zinc/12/47/32/583124732.db2.gz UUOADQBIXSWHIU-LBPRGKRZSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C2([NH2+]Cc3ccc(Cl)s3)CC2)CC1 ZINC000398226046 384857460 /nfs/dbraw/zinc/85/74/60/384857460.db2.gz UGVMLRJRHVYSPT-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO CCc1ccc(C[NH2+]C2(C3(C)CC3)CC2)s1 ZINC000398226356 357877368 /nfs/dbraw/zinc/87/73/68/357877368.db2.gz UIUXEKZONDXPCA-UHFFFAOYSA-N 1 0 235.396 3.733 20 0 BHADRO CC1(C2([NH2+]Cc3ccccc3Cl)CC2)CC1 ZINC000398226385 384857161 /nfs/dbraw/zinc/85/71/61/384857161.db2.gz UMOLTXZWLDYCOT-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO CC1(C2([NH2+]Cc3sccc3Cl)CC2)CC1 ZINC000398226504 384856868 /nfs/dbraw/zinc/85/68/68/384856868.db2.gz USLAMAMMYWQRGO-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO CC1(C2([NH2+]C/C=C/c3ccccc3)CC2)CC1 ZINC000398226954 384854887 /nfs/dbraw/zinc/85/48/87/384854887.db2.gz UWNCQZSGEHUPPW-VMPITWQZSA-N 1 0 227.351 3.622 20 0 BHADRO CC1(C2([NH2+]C/C=C\c3ccccc3)CC2)CC1 ZINC000398226955 384855259 /nfs/dbraw/zinc/85/52/59/384855259.db2.gz UWNCQZSGEHUPPW-YVMONPNESA-N 1 0 227.351 3.622 20 0 BHADRO CC1(C2([NH2+]Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000398228172 384859174 /nfs/dbraw/zinc/85/91/74/384859174.db2.gz WDCGPCQAFSLXSV-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC1(C2([NH2+]Cc3ccsc3Cl)CC2)CC1 ZINC000398229220 384858695 /nfs/dbraw/zinc/85/86/95/384858695.db2.gz WZKCJSWMXLEDSA-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO CC1(C2([NH2+]Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000398229247 384857559 /nfs/dbraw/zinc/85/75/59/384857559.db2.gz XBRFCHHMPABSBF-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC1(C2([NH2+]Cc3cccc(Cl)c3)CC2)CC1 ZINC000398229384 384859333 /nfs/dbraw/zinc/85/93/33/384859333.db2.gz XMHDMTUSJNCGCD-UHFFFAOYSA-N 1 0 235.758 3.762 20 0 BHADRO CC(C)([NH2+]Cc1cccc2[nH]ccc21)C1CCC1 ZINC000398231073 397985341 /nfs/dbraw/zinc/98/53/41/397985341.db2.gz SJNWLJWIAZWMFG-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CC1(C2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000398231508 357868128 /nfs/dbraw/zinc/86/81/28/357868128.db2.gz ZMWFUOAIUIAYAS-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(C)c1 ZINC000398239368 397986406 /nfs/dbraw/zinc/98/64/06/397986406.db2.gz XXUPXXXVPUKJOJ-BMFZPTHFSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cccc(C)c1 ZINC000398239369 397986647 /nfs/dbraw/zinc/98/66/47/397986647.db2.gz XXUPXXXVPUKJOJ-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cccc(C)c1 ZINC000398239370 397986254 /nfs/dbraw/zinc/98/62/54/397986254.db2.gz XXUPXXXVPUKJOJ-IMJJTQAJSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(C)c1 ZINC000398239371 397986456 /nfs/dbraw/zinc/98/64/56/397986456.db2.gz XXUPXXXVPUKJOJ-KBMXLJTQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc(C[NH2+]C2(C3(C)CC3)CC2)c1F ZINC000398256539 384870004 /nfs/dbraw/zinc/87/00/04/384870004.db2.gz QOQCZQHBUXBFBF-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@]1([NH2+]Cc2cccc(F)c2F)CC=CCC1 ZINC000398265622 384871852 /nfs/dbraw/zinc/87/18/52/384871852.db2.gz ARQPYIOIUDVBII-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2cccc(F)c2F)CC=CCC1 ZINC000398265623 384873123 /nfs/dbraw/zinc/87/31/23/384873123.db2.gz ARQPYIOIUDVBII-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCCOC(F)F)CC1 ZINC000398274499 343107560 /nfs/dbraw/zinc/10/75/60/343107560.db2.gz IMYOSWWCNGOZNG-LLVKDONJSA-N 1 0 249.345 3.564 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCCOC(F)F)CC1 ZINC000398274501 351023658 /nfs/dbraw/zinc/02/36/58/351023658.db2.gz IMYOSWWCNGOZNG-NSHDSACASA-N 1 0 249.345 3.564 20 0 BHADRO CC1(C[NH2+]CCCOC(F)F)CCCCCC1 ZINC000398276764 384881354 /nfs/dbraw/zinc/88/13/54/384881354.db2.gz KUILUWYGLYTGQG-UHFFFAOYSA-N 1 0 249.345 3.566 20 0 BHADRO FC(F)OCCC[NH2+]CCCC1CCCCC1 ZINC000398278514 357882150 /nfs/dbraw/zinc/88/21/50/357882150.db2.gz MLLMMOBVRYBXSQ-UHFFFAOYSA-N 1 0 249.345 3.566 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@]1(C)CC=CCC1 ZINC000398289442 384891029 /nfs/dbraw/zinc/89/10/29/384891029.db2.gz OWMUNAZCFCQLPT-INIZCTEOSA-N 1 0 245.366 3.592 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@]1(C)CC=CCC1 ZINC000398289444 384889078 /nfs/dbraw/zinc/88/90/78/384889078.db2.gz OWMUNAZCFCQLPT-MRXNPFEDSA-N 1 0 245.366 3.592 20 0 BHADRO CCC[C@@H]([NH2+]CCCOC(F)F)C1CCCC1 ZINC000398290280 384889052 /nfs/dbraw/zinc/88/90/52/384889052.db2.gz YAKWQPQTKZDXLA-GFCCVEGCSA-N 1 0 249.345 3.564 20 0 BHADRO CCC[C@H]([NH2+]CCCOC(F)F)C1CCCC1 ZINC000398290282 384890999 /nfs/dbraw/zinc/89/09/99/384890999.db2.gz YAKWQPQTKZDXLA-LBPRGKRZSA-N 1 0 249.345 3.564 20 0 BHADRO Cc1cc(C[NH2+][C@@]2(C)CC=CCC2)cc(C)c1O ZINC000398301119 384900217 /nfs/dbraw/zinc/90/02/17/384900217.db2.gz VACSXORVESVCSW-INIZCTEOSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cc(C[NH2+][C@]2(C)CC=CCC2)cc(C)c1O ZINC000398301171 384899167 /nfs/dbraw/zinc/89/91/67/384899167.db2.gz VACSXORVESVCSW-MRXNPFEDSA-N 1 0 245.366 3.597 20 0 BHADRO FC(F)OCCC[NH2+]CCC1CCCCCC1 ZINC000398303234 357882530 /nfs/dbraw/zinc/88/25/30/357882530.db2.gz KIPRNDKHJSYJTA-UHFFFAOYSA-N 1 0 249.345 3.566 20 0 BHADRO Cc1ccsc1C[NH2+][C@]1(C)CC=CCC1 ZINC000398326715 384726032 /nfs/dbraw/zinc/72/60/32/384726032.db2.gz JEBWOVQJMYGIQQ-CYBMUJFWSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1ccsc1C[NH2+][C@@]1(C)CC=CCC1 ZINC000398326716 384725205 /nfs/dbraw/zinc/72/52/05/384725205.db2.gz JEBWOVQJMYGIQQ-ZDUSSCGKSA-N 1 0 221.369 3.645 20 0 BHADRO C[C@]1([NH2+]Cc2cc(F)ccc2F)CC=CCC1 ZINC000398330213 323003325 /nfs/dbraw/zinc/00/33/25/323003325.db2.gz MSVXCAWFEWTNGZ-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2cc(F)ccc2F)CC=CCC1 ZINC000398330214 323003300 /nfs/dbraw/zinc/00/33/00/323003300.db2.gz MSVXCAWFEWTNGZ-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@]1([NH2+]Cc2ccc(F)cc2F)CC=CCC1 ZINC000398338055 357883583 /nfs/dbraw/zinc/88/35/83/357883583.db2.gz QHEGKPZGQOZZSO-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc(F)cc2F)CC=CCC1 ZINC000398338056 357883387 /nfs/dbraw/zinc/88/33/87/357883387.db2.gz QHEGKPZGQOZZSO-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2sccc2Cl)CC=CCC1 ZINC000398340386 385104214 /nfs/dbraw/zinc/10/42/14/385104214.db2.gz RHJYOAVPNONKFC-GFCCVEGCSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2sccc2Cl)CC=CCC1 ZINC000398340388 385104674 /nfs/dbraw/zinc/10/46/74/385104674.db2.gz RHJYOAVPNONKFC-LBPRGKRZSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@@]1([NH2+]Cc2ccsc2Cl)CC=CCC1 ZINC000398342110 385129687 /nfs/dbraw/zinc/12/96/87/385129687.db2.gz RXMBUFQKDUTVLP-GFCCVEGCSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2ccsc2Cl)CC=CCC1 ZINC000398342112 385131779 /nfs/dbraw/zinc/13/17/79/385131779.db2.gz RXMBUFQKDUTVLP-LBPRGKRZSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2ccc(F)c(F)c2)CC=CCC1 ZINC000398350181 385318157 /nfs/dbraw/zinc/31/81/57/385318157.db2.gz XAHRQCQHYXCLTD-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc(F)c(F)c2)CC=CCC1 ZINC000398350182 385319622 /nfs/dbraw/zinc/31/96/22/385319622.db2.gz XAHRQCQHYXCLTD-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@]1([NH2+]Cc2cc(F)cc(F)c2)CC=CCC1 ZINC000398353183 386812697 /nfs/dbraw/zinc/81/26/97/386812697.db2.gz YHDMDTZCCXZMNR-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@]1([NH2+]Cc2cc(F)cc(F)c2)CC=CCC1 ZINC000398353185 262759850 /nfs/dbraw/zinc/75/98/50/262759850.db2.gz YHDMDTZCCXZMNR-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO Cc1cc(C[NH2+][C@]2(C)CC=CCC2)cs1 ZINC000398369667 323185457 /nfs/dbraw/zinc/18/54/57/323185457.db2.gz OUMJTVPMBJQPNL-CYBMUJFWSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1cc(C[NH2+][C@@]2(C)CC=CCC2)cs1 ZINC000398369669 323185467 /nfs/dbraw/zinc/18/54/67/323185467.db2.gz OUMJTVPMBJQPNL-ZDUSSCGKSA-N 1 0 221.369 3.645 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398375636 711409813 /nfs/dbraw/zinc/40/98/13/711409813.db2.gz QYZNLZWRMPIEJX-GHMZBOCLSA-N 1 0 241.404 3.548 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000398375644 711710145 /nfs/dbraw/zinc/71/01/45/711710145.db2.gz QYZNLZWRMPIEJX-MNOVXSKESA-N 1 0 241.404 3.548 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000398375652 711410055 /nfs/dbraw/zinc/41/00/55/711410055.db2.gz QYZNLZWRMPIEJX-QWRGUYRKSA-N 1 0 241.404 3.548 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398375658 711409236 /nfs/dbraw/zinc/40/92/36/711409236.db2.gz QYZNLZWRMPIEJX-WDEREUQCSA-N 1 0 241.404 3.548 20 0 BHADRO C[C@]1([NH2+]C/C=C\c2ccccc2)CC=CCC1 ZINC000398383380 323185437 /nfs/dbraw/zinc/18/54/37/323185437.db2.gz ODJOEMIHOQCLPV-CLOOOTJHSA-N 1 0 227.351 3.788 20 0 BHADRO C[C@@]1([NH2+]C/C=C\c2ccccc2)CC=CCC1 ZINC000398383384 323185399 /nfs/dbraw/zinc/18/53/99/323185399.db2.gz ODJOEMIHOQCLPV-JXMNSVBMSA-N 1 0 227.351 3.788 20 0 BHADRO C[C@]1([NH2+]C/C=C/c2ccccc2)CC=CCC1 ZINC000398383388 323185463 /nfs/dbraw/zinc/18/54/63/323185463.db2.gz ODJOEMIHOQCLPV-KXKDPZRNSA-N 1 0 227.351 3.788 20 0 BHADRO C[C@@]1([NH2+]C/C=C/c2ccccc2)CC=CCC1 ZINC000398383393 323185492 /nfs/dbraw/zinc/18/54/92/323185492.db2.gz ODJOEMIHOQCLPV-YCABEKBOSA-N 1 0 227.351 3.788 20 0 BHADRO Cc1sccc1C[NH2+][C@]1(C)CC=CCC1 ZINC000398387382 386818314 /nfs/dbraw/zinc/81/83/14/386818314.db2.gz VRBLITGCAGTLLS-CYBMUJFWSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1sccc1C[NH2+][C@@]1(C)CC=CCC1 ZINC000398387386 386818691 /nfs/dbraw/zinc/81/86/91/386818691.db2.gz VRBLITGCAGTLLS-ZDUSSCGKSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1ccc(C[NH2+][C@]2(C)CC=CCC2)s1 ZINC000398388670 386819061 /nfs/dbraw/zinc/81/90/61/386819061.db2.gz WEIJJFREUZGHGX-CYBMUJFWSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1ccc(C[NH2+][C@@]2(C)CC=CCC2)s1 ZINC000398388673 386818138 /nfs/dbraw/zinc/81/81/38/386818138.db2.gz WEIJJFREUZGHGX-ZDUSSCGKSA-N 1 0 221.369 3.645 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc(Cl)s2)CC=CCC1 ZINC000398389301 386817897 /nfs/dbraw/zinc/81/78/97/386817897.db2.gz WJYCLKPROWTUJH-GFCCVEGCSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2ccc(Cl)s2)CC=CCC1 ZINC000398389302 262760756 /nfs/dbraw/zinc/76/07/56/262760756.db2.gz WJYCLKPROWTUJH-LBPRGKRZSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@@]1([NH2+]Cc2cc(Cl)cs2)CC=CCC1 ZINC000398391377 386821113 /nfs/dbraw/zinc/82/11/13/386821113.db2.gz WYIDHSPMCLBHMW-GFCCVEGCSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2cc(Cl)cs2)CC=CCC1 ZINC000398391386 262760699 /nfs/dbraw/zinc/76/06/99/262760699.db2.gz WYIDHSPMCLBHMW-LBPRGKRZSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc(Cl)o2)CC=CCC1 ZINC000398394695 386821452 /nfs/dbraw/zinc/82/14/52/386821452.db2.gz YIPPKMZBYNKGAG-GFCCVEGCSA-N 1 0 225.719 3.521 20 0 BHADRO C[C@]1([NH2+]Cc2ccc(Cl)o2)CC=CCC1 ZINC000398394697 386820302 /nfs/dbraw/zinc/82/03/02/386820302.db2.gz YIPPKMZBYNKGAG-LBPRGKRZSA-N 1 0 225.719 3.521 20 0 BHADRO C[C@]1([NH2+]Cc2cccc3[nH]ccc32)CC=CCC1 ZINC000398401734 323185775 /nfs/dbraw/zinc/18/57/75/323185775.db2.gz IKJALGAYJHJDBY-INIZCTEOSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2cccc3[nH]ccc32)CC=CCC1 ZINC000398401737 323185842 /nfs/dbraw/zinc/18/58/42/323185842.db2.gz IKJALGAYJHJDBY-MRXNPFEDSA-N 1 0 240.350 3.756 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)CCCCO ZINC000398410242 323185597 /nfs/dbraw/zinc/18/55/97/323185597.db2.gz CLSCFYXXYIDLMC-AWEZNQCLSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)CCCCO ZINC000398410244 323185617 /nfs/dbraw/zinc/18/56/17/323185617.db2.gz CLSCFYXXYIDLMC-CQSZACIVSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@]1([NH2+]Cc2cccc3cc[nH]c32)CC=CCC1 ZINC000398421391 386820586 /nfs/dbraw/zinc/82/05/86/386820586.db2.gz QADKUFIDINXYGQ-INIZCTEOSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2cccc3cc[nH]c32)CC=CCC1 ZINC000398421394 386820942 /nfs/dbraw/zinc/82/09/42/386820942.db2.gz QADKUFIDINXYGQ-MRXNPFEDSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@]1([NH2+]Cc2ccc3cc[nH]c3c2)CC=CCC1 ZINC000398426309 357885206 /nfs/dbraw/zinc/88/52/06/357885206.db2.gz RVMSIWUYEUHUQG-INIZCTEOSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc3cc[nH]c3c2)CC=CCC1 ZINC000398426315 357885110 /nfs/dbraw/zinc/88/51/10/357885110.db2.gz RVMSIWUYEUHUQG-MRXNPFEDSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@]1([NH2+]Cc2ccc3[nH]ccc3c2)CC=CCC1 ZINC000398431753 351155800 /nfs/dbraw/zinc/15/58/00/351155800.db2.gz VGERILFFQPHLID-INIZCTEOSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2ccc3[nH]ccc3c2)CC=CCC1 ZINC000398431754 351155883 /nfs/dbraw/zinc/15/58/83/351155883.db2.gz VGERILFFQPHLID-MRXNPFEDSA-N 1 0 240.350 3.756 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1C ZINC000398517145 411214957 /nfs/dbraw/zinc/21/49/57/411214957.db2.gz KRMCKEAFNUZRFO-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1C ZINC000398517146 411215350 /nfs/dbraw/zinc/21/53/50/411215350.db2.gz KRMCKEAFNUZRFO-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1C ZINC000398517147 411215200 /nfs/dbraw/zinc/21/52/00/411215200.db2.gz KRMCKEAFNUZRFO-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1C ZINC000398517148 411215347 /nfs/dbraw/zinc/21/53/47/411215347.db2.gz KRMCKEAFNUZRFO-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000398542295 357887350 /nfs/dbraw/zinc/88/73/50/357887350.db2.gz CGBADCUTCLDCNI-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000398542299 357887340 /nfs/dbraw/zinc/88/73/40/357887340.db2.gz CGBADCUTCLDCNI-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000398542305 357887179 /nfs/dbraw/zinc/88/71/79/357887179.db2.gz CGBADCUTCLDCNI-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000398542313 357887207 /nfs/dbraw/zinc/88/72/07/357887207.db2.gz CGBADCUTCLDCNI-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCCCO)c1 ZINC000398549847 386838487 /nfs/dbraw/zinc/83/84/87/386838487.db2.gz XKDALDSJBBLATQ-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCCCO)c1 ZINC000398549851 386839261 /nfs/dbraw/zinc/83/92/61/386839261.db2.gz XKDALDSJBBLATQ-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCCCO)c1 ZINC000398549857 262762957 /nfs/dbraw/zinc/76/29/57/262762957.db2.gz XKDALDSJBBLATQ-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCCCO)c1 ZINC000398549863 386840029 /nfs/dbraw/zinc/84/00/29/386840029.db2.gz XKDALDSJBBLATQ-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000398556526 357887322 /nfs/dbraw/zinc/88/73/22/357887322.db2.gz GYPLXBIABYJCDZ-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000398556531 357887162 /nfs/dbraw/zinc/88/71/62/357887162.db2.gz GYPLXBIABYJCDZ-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000398556536 357887170 /nfs/dbraw/zinc/88/71/70/357887170.db2.gz GYPLXBIABYJCDZ-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000398556541 357887203 /nfs/dbraw/zinc/88/72/03/357887203.db2.gz GYPLXBIABYJCDZ-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000398563276 357887397 /nfs/dbraw/zinc/88/73/97/357887397.db2.gz IZLDKNXDXRBPMQ-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000398563278 357887298 /nfs/dbraw/zinc/88/72/98/357887298.db2.gz IZLDKNXDXRBPMQ-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000398563279 357887457 /nfs/dbraw/zinc/88/74/57/357887457.db2.gz IZLDKNXDXRBPMQ-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000398563280 357887318 /nfs/dbraw/zinc/88/73/18/357887318.db2.gz IZLDKNXDXRBPMQ-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000398595156 357888055 /nfs/dbraw/zinc/88/80/55/357888055.db2.gz UBRYEZKXNVIIPF-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000398595158 357888135 /nfs/dbraw/zinc/88/81/35/357888135.db2.gz UBRYEZKXNVIIPF-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000398595159 357888161 /nfs/dbraw/zinc/88/81/61/357888161.db2.gz UBRYEZKXNVIIPF-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000398595160 357888290 /nfs/dbraw/zinc/88/82/90/357888290.db2.gz UBRYEZKXNVIIPF-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000398599222 357887910 /nfs/dbraw/zinc/88/79/10/357887910.db2.gz VRXKPZBPOBFIGN-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000398599224 357887775 /nfs/dbraw/zinc/88/77/75/357887775.db2.gz VRXKPZBPOBFIGN-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000398599227 357888075 /nfs/dbraw/zinc/88/80/75/357888075.db2.gz VRXKPZBPOBFIGN-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000398599229 357888051 /nfs/dbraw/zinc/88/80/51/357888051.db2.gz VRXKPZBPOBFIGN-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)(C[NH2+]CCC1CCC1)c1ccccc1 ZINC000398761495 711415110 /nfs/dbraw/zinc/41/51/10/711415110.db2.gz IUEUOLHAPOGPIX-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO CCC(CC)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399066130 711417944 /nfs/dbraw/zinc/41/79/44/711417944.db2.gz AHPOCOWZXGOYDW-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CCC(CC)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399066132 711417697 /nfs/dbraw/zinc/41/76/97/711417697.db2.gz AHPOCOWZXGOYDW-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399087128 711743553 /nfs/dbraw/zinc/74/35/53/711743553.db2.gz BQGCUMQONHPQJI-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399087131 711743500 /nfs/dbraw/zinc/74/35/00/711743500.db2.gz BQGCUMQONHPQJI-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399087133 711420535 /nfs/dbraw/zinc/42/05/35/711420535.db2.gz BQGCUMQONHPQJI-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399087135 711420395 /nfs/dbraw/zinc/42/03/95/711420395.db2.gz BQGCUMQONHPQJI-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccco1 ZINC000399107690 711421344 /nfs/dbraw/zinc/42/13/44/711421344.db2.gz HNHBQKFEILEMTB-BDAKNGLRSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccco1 ZINC000399107692 711421109 /nfs/dbraw/zinc/42/11/09/711421109.db2.gz HNHBQKFEILEMTB-DTWKUNHWSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccco1 ZINC000399107693 711421222 /nfs/dbraw/zinc/42/12/22/711421222.db2.gz HNHBQKFEILEMTB-IUCAKERBSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccco1 ZINC000399107696 711743730 /nfs/dbraw/zinc/74/37/30/711743730.db2.gz HNHBQKFEILEMTB-RKDXNWHRSA-N 1 0 248.153 3.514 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399144808 711421762 /nfs/dbraw/zinc/42/17/62/711421762.db2.gz DCKKEYLIWVPJGB-AEJSXWLSSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399144809 711422263 /nfs/dbraw/zinc/42/22/63/711422263.db2.gz DCKKEYLIWVPJGB-GUBZILKMSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399144810 711421300 /nfs/dbraw/zinc/42/13/00/711421300.db2.gz DCKKEYLIWVPJGB-IVZWLZJFSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399144811 711421621 /nfs/dbraw/zinc/42/16/21/711421621.db2.gz DCKKEYLIWVPJGB-LPEHRKFASA-N 1 0 238.202 3.595 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000399156147 711422866 /nfs/dbraw/zinc/42/28/66/711422866.db2.gz HNBGIVIUUUEXIS-BDAKNGLRSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000399156151 711423452 /nfs/dbraw/zinc/42/34/52/711423452.db2.gz HNBGIVIUUUEXIS-DTWKUNHWSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000399156157 711423162 /nfs/dbraw/zinc/42/31/62/711423162.db2.gz HNBGIVIUUUEXIS-IUCAKERBSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000399156160 711423347 /nfs/dbraw/zinc/42/33/47/711423347.db2.gz HNBGIVIUUUEXIS-RKDXNWHRSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000399168454 711423275 /nfs/dbraw/zinc/42/32/75/711423275.db2.gz KQGTUFYPPYSVPK-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000399168455 711423115 /nfs/dbraw/zinc/42/31/15/711423115.db2.gz KQGTUFYPPYSVPK-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000399168457 711422753 /nfs/dbraw/zinc/42/27/53/711422753.db2.gz KQGTUFYPPYSVPK-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000399168458 711422702 /nfs/dbraw/zinc/42/27/02/711422702.db2.gz KQGTUFYPPYSVPK-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399172282 711423465 /nfs/dbraw/zinc/42/34/65/711423465.db2.gz LRZOWOZBILYSNF-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399172283 711423480 /nfs/dbraw/zinc/42/34/80/711423480.db2.gz LRZOWOZBILYSNF-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399172285 711423137 /nfs/dbraw/zinc/42/31/37/711423137.db2.gz LRZOWOZBILYSNF-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399172286 711423172 /nfs/dbraw/zinc/42/31/72/711423172.db2.gz LRZOWOZBILYSNF-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399178151 711423168 /nfs/dbraw/zinc/42/31/68/711423168.db2.gz NOPXCHGNHZUTIL-SECBINFHSA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399178152 711422746 /nfs/dbraw/zinc/42/27/46/711422746.db2.gz NOPXCHGNHZUTIL-VIFPVBQESA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399182051 711423548 /nfs/dbraw/zinc/42/35/48/711423548.db2.gz OZZZHBYTGDFDAC-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399182053 711420812 /nfs/dbraw/zinc/42/08/12/711420812.db2.gz OZZZHBYTGDFDAC-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399182055 711420195 /nfs/dbraw/zinc/42/01/95/711420195.db2.gz OZZZHBYTGDFDAC-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399182056 711419705 /nfs/dbraw/zinc/41/97/05/711419705.db2.gz OZZZHBYTGDFDAC-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO ClC1(Cl)C[C@H]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000399185977 710914041 /nfs/dbraw/zinc/91/40/41/710914041.db2.gz TZDWVQUGZNVGPD-GHMZBOCLSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@@H]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000399185978 710913731 /nfs/dbraw/zinc/91/37/31/710913731.db2.gz TZDWVQUGZNVGPD-MNOVXSKESA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@@H]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000399185979 710914139 /nfs/dbraw/zinc/91/41/39/710914139.db2.gz TZDWVQUGZNVGPD-QWRGUYRKSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000399185980 710913885 /nfs/dbraw/zinc/91/38/85/710913885.db2.gz TZDWVQUGZNVGPD-WDEREUQCSA-N 1 0 248.197 3.516 20 0 BHADRO CC(C)CCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399203034 711423971 /nfs/dbraw/zinc/42/39/71/711423971.db2.gz REVJJILCZCCASF-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)CCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399203038 711423942 /nfs/dbraw/zinc/42/39/42/711423942.db2.gz REVJJILCZCCASF-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000399304505 323203594 /nfs/dbraw/zinc/20/35/94/323203594.db2.gz HDMYKSPMQQAOTQ-INIZCTEOSA-N 1 0 247.382 3.631 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000399304510 323203543 /nfs/dbraw/zinc/20/35/43/323203543.db2.gz HDMYKSPMQQAOTQ-MRXNPFEDSA-N 1 0 247.382 3.631 20 0 BHADRO C[C@H](C[N@H+](C)Cc1cccc(O)c1)C(C)(C)C ZINC000399584226 487490276 /nfs/dbraw/zinc/49/02/76/487490276.db2.gz FHFXYOBAZXJRDJ-GFCCVEGCSA-N 1 0 235.371 3.506 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1cccc(O)c1)C(C)(C)C ZINC000399584229 487490345 /nfs/dbraw/zinc/49/03/45/487490345.db2.gz FHFXYOBAZXJRDJ-LBPRGKRZSA-N 1 0 235.371 3.506 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000399625916 342739157 /nfs/dbraw/zinc/73/91/57/342739157.db2.gz SXPGNOMPSYNEGQ-ABAIWWIYSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000399625927 342739189 /nfs/dbraw/zinc/73/91/89/342739189.db2.gz SXPGNOMPSYNEGQ-IAQYHMDHSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000399625929 342739107 /nfs/dbraw/zinc/73/91/07/342739107.db2.gz SXPGNOMPSYNEGQ-NHYWBVRUSA-N 1 0 247.382 3.629 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000399625931 342739092 /nfs/dbraw/zinc/73/90/92/342739092.db2.gz SXPGNOMPSYNEGQ-XHDPSFHLSA-N 1 0 247.382 3.629 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000399647009 583191104 /nfs/dbraw/zinc/19/11/04/583191104.db2.gz JTWPHUYXGNXRIG-GFCCVEGCSA-N 1 0 235.371 3.506 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000399647010 583191357 /nfs/dbraw/zinc/19/13/57/583191357.db2.gz JTWPHUYXGNXRIG-LBPRGKRZSA-N 1 0 235.371 3.506 20 0 BHADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(C)(C)C ZINC000399659377 342740521 /nfs/dbraw/zinc/74/05/21/342740521.db2.gz FXLCWCABLVMIEQ-CYBMUJFWSA-N 1 0 249.398 3.691 20 0 BHADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(C)(C)C ZINC000399659378 342740497 /nfs/dbraw/zinc/74/04/97/342740497.db2.gz FXLCWCABLVMIEQ-ZDUSSCGKSA-N 1 0 249.398 3.691 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(C)(C)C ZINC000399669508 342740475 /nfs/dbraw/zinc/74/04/75/342740475.db2.gz KWGNFNYEFVLSAC-GFCCVEGCSA-N 1 0 235.371 3.821 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC(C)(C)C ZINC000399669510 342740473 /nfs/dbraw/zinc/74/04/73/342740473.db2.gz KWGNFNYEFVLSAC-LBPRGKRZSA-N 1 0 235.371 3.821 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000399683439 357011418 /nfs/dbraw/zinc/01/14/18/357011418.db2.gz KNIGVOHZUNKNOK-CYBMUJFWSA-N 1 0 244.382 3.672 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000399683441 357011712 /nfs/dbraw/zinc/01/17/12/357011712.db2.gz KNIGVOHZUNKNOK-ZDUSSCGKSA-N 1 0 244.382 3.672 20 0 BHADRO C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000399689142 357014285 /nfs/dbraw/zinc/01/42/85/357014285.db2.gz NCBBVDSVOOFCET-CYBMUJFWSA-N 1 0 244.382 3.672 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000399689143 357014391 /nfs/dbraw/zinc/01/43/91/357014391.db2.gz NCBBVDSVOOFCET-ZDUSSCGKSA-N 1 0 244.382 3.672 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000399690286 711434111 /nfs/dbraw/zinc/43/41/11/711434111.db2.gz GHVIMOBJUYSIQG-AWEZNQCLSA-N 1 0 248.414 3.881 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000399690288 711434254 /nfs/dbraw/zinc/43/42/54/711434254.db2.gz GHVIMOBJUYSIQG-CQSZACIVSA-N 1 0 248.414 3.881 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccc2c1NCC2 ZINC000399694259 411059679 /nfs/dbraw/zinc/05/96/79/411059679.db2.gz BRKPKFLBGMSYRZ-UHFFFAOYSA-N 1 0 246.398 3.523 20 0 BHADRO Cc1cccc(CC[NH2+]C(C)(C)CC(C)(C)C)n1 ZINC000399724046 342742074 /nfs/dbraw/zinc/74/20/74/342742074.db2.gz NFEURIKWNPLXFI-UHFFFAOYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)CCCC(C)C)n1 ZINC000399730682 583200843 /nfs/dbraw/zinc/20/08/43/583200843.db2.gz QJCKUMUTADXIHM-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)CCCC(C)C)n1 ZINC000399730683 583200909 /nfs/dbraw/zinc/20/09/09/583200909.db2.gz QJCKUMUTADXIHM-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1csc(C)c1C ZINC000399755662 368557322 /nfs/dbraw/zinc/55/73/22/368557322.db2.gz BBGRZAWLUUWGKB-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCC(C)(C)C)nc1 ZINC000399767033 387569924 /nfs/dbraw/zinc/56/99/24/387569924.db2.gz XCYBMNZSGOMUBM-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCC(C)(C)C)nc1 ZINC000399767035 387569874 /nfs/dbraw/zinc/56/98/74/387569874.db2.gz XCYBMNZSGOMUBM-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(C[NH2+]Cc2csc(C)c2C)o1 ZINC000399768035 368563458 /nfs/dbraw/zinc/56/34/58/368563458.db2.gz KKTKEMJNHRJUAJ-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2cccnc2)c1C ZINC000399769336 368562927 /nfs/dbraw/zinc/56/29/27/368562927.db2.gz KOZPMAHBRBMATB-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2cccnc2)c1C ZINC000399769337 368563871 /nfs/dbraw/zinc/56/38/71/368563871.db2.gz KOZPMAHBRBMATB-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2ccco2)c1C ZINC000399769418 368562963 /nfs/dbraw/zinc/56/29/63/368562963.db2.gz LJYKMFPKALBEAW-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2ccco2)c1C ZINC000399769419 368563339 /nfs/dbraw/zinc/56/33/39/368563339.db2.gz LJYKMFPKALBEAW-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1scc(C[NH2+]Cc2ccc(F)cc2)c1C ZINC000399772770 368574062 /nfs/dbraw/zinc/57/40/62/368574062.db2.gz AFEPREADPOWNPF-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2ccoc2)c1C ZINC000399776349 368574079 /nfs/dbraw/zinc/57/40/79/368574079.db2.gz QHBRUOPQHKWTHB-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2ccoc2)c1C ZINC000399776350 368574998 /nfs/dbraw/zinc/57/49/98/368574998.db2.gz QHBRUOPQHKWTHB-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2ccncc2)c1C ZINC000399788047 368581520 /nfs/dbraw/zinc/58/15/20/368581520.db2.gz VUOIAYIZQATPQI-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2ccncc2)c1C ZINC000399788049 368581485 /nfs/dbraw/zinc/58/14/85/368581485.db2.gz VUOIAYIZQATPQI-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CSCCCC[NH2+]Cc1csc(C)c1C ZINC000399788181 357047181 /nfs/dbraw/zinc/04/71/81/357047181.db2.gz YEBWPQRXQBARPU-UHFFFAOYSA-N 1 0 243.441 3.598 20 0 BHADRO Cc1scc(C[NH2+]Cc2ccsc2)c1C ZINC000399790855 368581678 /nfs/dbraw/zinc/58/16/78/368581678.db2.gz ZRZPANURPRVPGG-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1F ZINC000399792070 357051170 /nfs/dbraw/zinc/05/11/70/357051170.db2.gz UGZIMCBLECCWRI-UHFFFAOYSA-N 1 0 248.345 3.565 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccc(C#N)c1F ZINC000399795021 357051700 /nfs/dbraw/zinc/05/17/00/357051700.db2.gz WCIIETTUULODDN-UHFFFAOYSA-N 1 0 248.345 3.565 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2ccccn2)c1C ZINC000399795910 368585877 /nfs/dbraw/zinc/58/58/77/368585877.db2.gz ZXCDRZQKXDVTTO-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2ccccn2)c1C ZINC000399795911 368585820 /nfs/dbraw/zinc/58/58/20/368585820.db2.gz ZXCDRZQKXDVTTO-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(CC[NH2+]C2CCCCCCC2)n1 ZINC000399796226 710912170 /nfs/dbraw/zinc/91/21/70/710912170.db2.gz NZRPCEULJGFNHL-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccnc1Cl ZINC000399806423 711434738 /nfs/dbraw/zinc/43/47/38/711434738.db2.gz DGDKKTVOOANARB-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000399806452 357055321 /nfs/dbraw/zinc/05/53/21/357055321.db2.gz DHZQRTDDDNRKCF-UHFFFAOYSA-N 1 0 248.345 3.565 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCCCCCC2)nc1 ZINC000399830657 711436623 /nfs/dbraw/zinc/43/66/23/711436623.db2.gz YHQYOQNNJUAEHY-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccc(Cl)n1 ZINC000399834401 711436468 /nfs/dbraw/zinc/43/64/68/711436468.db2.gz IGKJHWRSSPFFHY-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cnc(Cl)s1 ZINC000399843098 711436058 /nfs/dbraw/zinc/43/60/58/711436058.db2.gz MGKQABIBKTVTAZ-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccnc(Cl)c1 ZINC000399846244 711436882 /nfs/dbraw/zinc/43/68/82/711436882.db2.gz NHADXWQZTPUSKU-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO Cc1scc(C[NH2+]Cc2cccc(F)c2)c1C ZINC000399873288 368897957 /nfs/dbraw/zinc/89/79/57/368897957.db2.gz RGWZSDBXLADJGI-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1scc(C[NH2+]Cc2ccccc2F)c1C ZINC000399873517 368898349 /nfs/dbraw/zinc/89/83/49/368898349.db2.gz RIOWHBURWNITAK-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccc(C2=CC[NH2+]CC2)c2ccccc12 ZINC000399874873 411070202 /nfs/dbraw/zinc/07/02/02/411070202.db2.gz XASDGXTXXSNQGV-UHFFFAOYSA-N 1 0 223.319 3.525 20 0 BHADRO CCc1ccc(C[NH2+]Cc2csc(C)c2C)o1 ZINC000399876577 368897892 /nfs/dbraw/zinc/89/78/92/368897892.db2.gz SJGLOVGAJPMXPK-UHFFFAOYSA-N 1 0 249.379 3.810 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCCC(C)C)nc1 ZINC000399920872 387577533 /nfs/dbraw/zinc/57/75/33/387577533.db2.gz LRMOADSXXSASMN-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCCC(C)C)nc1 ZINC000399920876 387577777 /nfs/dbraw/zinc/57/77/77/387577777.db2.gz LRMOADSXXSASMN-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1scc(C[NH2+]Cc2cccs2)c1C ZINC000399939073 368933047 /nfs/dbraw/zinc/93/30/47/368933047.db2.gz SWPIAJHIWFJUJW-UHFFFAOYSA-N 1 0 237.393 3.716 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)c1ccncc1 ZINC000400018207 411440982 /nfs/dbraw/zinc/44/09/82/411440982.db2.gz JMWLVAFKSHJWOT-ADNDVJRGSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)c1ccncc1 ZINC000400018208 411441042 /nfs/dbraw/zinc/44/10/42/411441042.db2.gz JMWLVAFKSHJWOT-FKFRUQKQSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1ccncc1 ZINC000400018209 411440605 /nfs/dbraw/zinc/44/06/05/411440605.db2.gz JMWLVAFKSHJWOT-QTISTPMNSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1ccncc1 ZINC000400018210 411441291 /nfs/dbraw/zinc/44/12/91/411441291.db2.gz JMWLVAFKSHJWOT-XCAIRMDXSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1ccccn1 ZINC000400024842 344230120 /nfs/dbraw/zinc/23/01/20/344230120.db2.gz NQJAEHYNMDXZTO-PPWQZUPISA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1ccccn1 ZINC000400024846 344229859 /nfs/dbraw/zinc/22/98/59/344229859.db2.gz NQJAEHYNMDXZTO-URGYJCLVSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)c1ccccn1 ZINC000400024849 344229994 /nfs/dbraw/zinc/22/99/94/344229994.db2.gz NQJAEHYNMDXZTO-VXGQWTEUSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)c1ccccn1 ZINC000400024852 344229786 /nfs/dbraw/zinc/22/97/86/344229786.db2.gz NQJAEHYNMDXZTO-XSCHDIRWSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1cccnc1 ZINC000400044342 411151127 /nfs/dbraw/zinc/15/11/27/411151127.db2.gz SUHZPTFPONGOLW-USPMSXPRSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)c1cccnc1 ZINC000400044343 411441744 /nfs/dbraw/zinc/44/17/44/411441744.db2.gz SUHZPTFPONGOLW-UWLZSVRSSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)c1cccnc1 ZINC000400044344 411442160 /nfs/dbraw/zinc/44/21/60/411442160.db2.gz SUHZPTFPONGOLW-WLIAPVHPSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1cccnc1 ZINC000400044346 411441787 /nfs/dbraw/zinc/44/17/87/411441787.db2.gz SUHZPTFPONGOLW-WOICTCIZSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000400185932 371656676 /nfs/dbraw/zinc/65/66/76/371656676.db2.gz JOZSXHLVGITKBU-MRVPVSSYSA-N 1 0 249.251 3.905 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000400185933 371656498 /nfs/dbraw/zinc/65/64/98/371656498.db2.gz JOZSXHLVGITKBU-QMMMGPOBSA-N 1 0 249.251 3.905 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400540608 387178120 /nfs/dbraw/zinc/17/81/20/387178120.db2.gz FUBBRQHHIVCNLV-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCC[C@H]1CCOC1 ZINC000400540609 384441061 /nfs/dbraw/zinc/44/10/61/384441061.db2.gz FUBBRQHHIVCNLV-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1 ZINC000400545653 529163359 /nfs/dbraw/zinc/16/33/59/529163359.db2.gz MCMQKEDWMNGVJF-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1 ZINC000400545655 529163533 /nfs/dbraw/zinc/16/35/33/529163533.db2.gz MCMQKEDWMNGVJF-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1 ZINC000400559763 529600104 /nfs/dbraw/zinc/60/01/04/529600104.db2.gz MCMQKEDWMNGVJF-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1 ZINC000400559767 387071786 /nfs/dbraw/zinc/07/17/86/387071786.db2.gz MCMQKEDWMNGVJF-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000400576746 527705637 /nfs/dbraw/zinc/70/56/37/527705637.db2.gz VCCSUWDGKPMHIE-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000400576747 398125508 /nfs/dbraw/zinc/12/55/08/398125508.db2.gz VCCSUWDGKPMHIE-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400576748 398125519 /nfs/dbraw/zinc/12/55/19/398125519.db2.gz VCCSUWDGKPMHIE-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400576749 398125452 /nfs/dbraw/zinc/12/54/52/398125452.db2.gz VCCSUWDGKPMHIE-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC[C@H]1CCOC1 ZINC000400632260 533519527 /nfs/dbraw/zinc/51/95/27/533519527.db2.gz NRUMJEQNRLWVOQ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC[C@H]1CCOC1 ZINC000400632261 533811425 /nfs/dbraw/zinc/81/14/25/533811425.db2.gz NRUMJEQNRLWVOQ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400632264 533519486 /nfs/dbraw/zinc/51/94/86/533519486.db2.gz NRUMJEQNRLWVOQ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400632266 533811646 /nfs/dbraw/zinc/81/16/46/533811646.db2.gz NRUMJEQNRLWVOQ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC[C@H]1CCOC1 ZINC000400673724 528630821 /nfs/dbraw/zinc/63/08/21/528630821.db2.gz UPEMQJJMYXCCJH-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC[C@@H]1CCOC1 ZINC000400673726 528630241 /nfs/dbraw/zinc/63/02/41/528630241.db2.gz UPEMQJJMYXCCJH-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CCCO1 ZINC000400840034 527410577 /nfs/dbraw/zinc/41/05/77/527410577.db2.gz RYRREURJXJHCEY-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CCCO1 ZINC000400840037 527419516 /nfs/dbraw/zinc/41/95/16/527419516.db2.gz RYRREURJXJHCEY-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CCCO1 ZINC000400840042 527409513 /nfs/dbraw/zinc/40/95/13/527409513.db2.gz RYRREURJXJHCEY-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CCCO1 ZINC000400840046 527419973 /nfs/dbraw/zinc/41/99/73/527419973.db2.gz RYRREURJXJHCEY-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)cn1)C1CCCC1 ZINC000400860053 528227696 /nfs/dbraw/zinc/22/76/96/528227696.db2.gz LQEOCFVTIJUVDA-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)cn1)C1CCCC1 ZINC000400860055 529013802 /nfs/dbraw/zinc/01/38/02/529013802.db2.gz LQEOCFVTIJUVDA-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)nc1 ZINC000400884181 490569642 /nfs/dbraw/zinc/56/96/42/490569642.db2.gz HSPQEJQTFMSOPD-DZGCQCFKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000400884182 490569364 /nfs/dbraw/zinc/56/93/64/490569364.db2.gz HSPQEJQTFMSOPD-HIFRSBDPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000400884183 490569604 /nfs/dbraw/zinc/56/96/04/490569604.db2.gz HSPQEJQTFMSOPD-UKRRQHHQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)nc1 ZINC000400884184 490569840 /nfs/dbraw/zinc/56/98/40/490569840.db2.gz HSPQEJQTFMSOPD-ZFWWWQNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)nc1 ZINC000400901442 490571032 /nfs/dbraw/zinc/57/10/32/490571032.db2.gz RLZIWWMVVLCLPR-DZGCQCFKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)nc1 ZINC000400901445 490570424 /nfs/dbraw/zinc/57/04/24/490570424.db2.gz RLZIWWMVVLCLPR-HIFRSBDPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)nc1 ZINC000400901448 490570525 /nfs/dbraw/zinc/57/05/25/490570525.db2.gz RLZIWWMVVLCLPR-UKRRQHHQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)nc1 ZINC000400901450 490571003 /nfs/dbraw/zinc/57/10/03/490571003.db2.gz RLZIWWMVVLCLPR-ZFWWWQNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2=CCCC2)c(C)o1 ZINC000401010304 385004181 /nfs/dbraw/zinc/00/41/81/385004181.db2.gz ATWWOUAFHNCMNC-LLVKDONJSA-N 1 0 219.328 3.657 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2=CCCC2)c(C)o1 ZINC000401010311 385004799 /nfs/dbraw/zinc/00/47/99/385004799.db2.gz ATWWOUAFHNCMNC-NSHDSACASA-N 1 0 219.328 3.657 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CC2=CCCC2)s1 ZINC000401012564 385003947 /nfs/dbraw/zinc/00/39/47/385003947.db2.gz BECCDWBFYQCTCJ-SECBINFHSA-N 1 0 236.384 3.521 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CC2=CCCC2)s1 ZINC000401012579 385004493 /nfs/dbraw/zinc/00/44/93/385004493.db2.gz BECCDWBFYQCTCJ-VIFPVBQESA-N 1 0 236.384 3.521 20 0 BHADRO CCC(CC)(CC)[NH2+]CCc1ncc(C)cc1C ZINC000401032817 346036505 /nfs/dbraw/zinc/03/65/05/346036505.db2.gz FTAOUZDCIZMTRA-UHFFFAOYSA-N 1 0 248.414 3.799 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cccc(F)c1 ZINC000401050546 388376269 /nfs/dbraw/zinc/37/62/69/388376269.db2.gz WEDXKQFWLOEMEM-LLVKDONJSA-N 1 0 219.303 3.587 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cccc(F)c1 ZINC000401050549 383845835 /nfs/dbraw/zinc/84/58/35/383845835.db2.gz WEDXKQFWLOEMEM-NSHDSACASA-N 1 0 219.303 3.587 20 0 BHADRO CSCC1CCC([NH2+]CC2=CCCC2)CC1 ZINC000401055492 388605334 /nfs/dbraw/zinc/60/53/34/388605334.db2.gz ROTKUSWZYLDLRW-UHFFFAOYSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1ccccc1F ZINC000401057820 383845945 /nfs/dbraw/zinc/84/59/45/383845945.db2.gz ZLAGZYAJSOOJDK-LLVKDONJSA-N 1 0 219.303 3.587 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1ccccc1F ZINC000401057821 383845446 /nfs/dbraw/zinc/84/54/46/383845446.db2.gz ZLAGZYAJSOOJDK-NSHDSACASA-N 1 0 219.303 3.587 20 0 BHADRO CCC1([NH2+]CCc2ncc(C)cc2C)CCCC1 ZINC000401058785 346081841 /nfs/dbraw/zinc/08/18/41/346081841.db2.gz TVEDLXYQZSOGEX-UHFFFAOYSA-N 1 0 246.398 3.553 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCC1)c1cccs1 ZINC000401059586 383849248 /nfs/dbraw/zinc/84/92/48/383849248.db2.gz DAPBXDWGTCGBCI-GFCCVEGCSA-N 1 0 221.369 3.899 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCC1)c1cccs1 ZINC000401059588 383848780 /nfs/dbraw/zinc/84/87/80/383848780.db2.gz DAPBXDWGTCGBCI-LBPRGKRZSA-N 1 0 221.369 3.899 20 0 BHADRO Cc1cnc(CC[NH2+]C[C@H](C)C(C)(C)C)c(C)c1 ZINC000401064558 488006546 /nfs/dbraw/zinc/00/65/46/488006546.db2.gz WBFOLVJSGCWGET-AWEZNQCLSA-N 1 0 248.414 3.513 20 0 BHADRO Cc1cnc(CC[NH2+]C[C@@H](C)C(C)(C)C)c(C)c1 ZINC000401064559 488006906 /nfs/dbraw/zinc/00/69/06/488006906.db2.gz WBFOLVJSGCWGET-CQSZACIVSA-N 1 0 248.414 3.513 20 0 BHADRO Cc1cnc(CC[NH2+][C@@H](C)CCC(C)C)c(C)c1 ZINC000401064563 488006939 /nfs/dbraw/zinc/00/69/39/488006939.db2.gz WCBQVVSRXKEBJK-HNNXBMFYSA-N 1 0 248.414 3.655 20 0 BHADRO Cc1cnc(CC[NH2+][C@H](C)CCC(C)C)c(C)c1 ZINC000401064564 488006919 /nfs/dbraw/zinc/00/69/19/488006919.db2.gz WCBQVVSRXKEBJK-OAHLLOKOSA-N 1 0 248.414 3.655 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCC2)s1 ZINC000401073425 383889004 /nfs/dbraw/zinc/88/90/04/383889004.db2.gz KIHPQJBYDFOXDX-LLVKDONJSA-N 1 0 221.369 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2=CCCC2)s1 ZINC000401073426 383888968 /nfs/dbraw/zinc/88/89/68/383888968.db2.gz KIHPQJBYDFOXDX-NSHDSACASA-N 1 0 221.369 3.817 20 0 BHADRO CCc1ccc(C[NH2+]CC2=CCCC2)s1 ZINC000401092185 488007691 /nfs/dbraw/zinc/00/76/91/488007691.db2.gz WMBGMMWSCYOTPG-UHFFFAOYSA-N 1 0 221.369 3.510 20 0 BHADRO Clc1ccc(C[NH2+]CC2=CCCC2)s1 ZINC000401096045 488007711 /nfs/dbraw/zinc/00/77/11/488007711.db2.gz DAUFSNJQCBGWSY-UHFFFAOYSA-N 1 0 227.760 3.601 20 0 BHADRO Clc1sccc1C[NH2+]CC1=CCCC1 ZINC000401096843 488007516 /nfs/dbraw/zinc/00/75/16/488007516.db2.gz ZZAKALZIHSSJQW-UHFFFAOYSA-N 1 0 227.760 3.601 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]CC1=CCCC1 ZINC000401113482 488008717 /nfs/dbraw/zinc/00/87/17/488008717.db2.gz KHCLVEVUKJLILO-CYBMUJFWSA-N 1 0 233.380 3.825 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1=CCCC1 ZINC000401113483 488009165 /nfs/dbraw/zinc/00/91/65/488009165.db2.gz KHCLVEVUKJLILO-ZDUSSCGKSA-N 1 0 233.380 3.825 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cccs1 ZINC000401128616 388376194 /nfs/dbraw/zinc/37/61/94/388376194.db2.gz RHXNOBDZUKIIKI-JTQLQIEISA-N 1 0 207.342 3.509 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cccs1 ZINC000401128617 383966802 /nfs/dbraw/zinc/96/68/02/383966802.db2.gz RHXNOBDZUKIIKI-SNVBAGLBSA-N 1 0 207.342 3.509 20 0 BHADRO Cc1cnc(CC[NH2+]C2CCCCCC2)c(C)c1 ZINC000401132796 488013962 /nfs/dbraw/zinc/01/39/62/488013962.db2.gz UCZGRYRHUHJFJY-UHFFFAOYSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1ccsc1 ZINC000401142121 383987249 /nfs/dbraw/zinc/98/72/49/383987249.db2.gz YSKUEWHOVWBPOK-JTQLQIEISA-N 1 0 207.342 3.509 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1ccsc1 ZINC000401142122 383986211 /nfs/dbraw/zinc/98/62/11/383986211.db2.gz YSKUEWHOVWBPOK-SNVBAGLBSA-N 1 0 207.342 3.509 20 0 BHADRO CCOCCCC[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000401683573 388379653 /nfs/dbraw/zinc/37/96/53/388379653.db2.gz AUWPDBCWUYWZOM-CABCVRRESA-N 1 0 241.419 3.609 20 0 BHADRO CCOCCCC[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000401683575 385217366 /nfs/dbraw/zinc/21/73/66/385217366.db2.gz AUWPDBCWUYWZOM-GJZGRUSLSA-N 1 0 241.419 3.609 20 0 BHADRO CCOCCCC[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000401683577 385218498 /nfs/dbraw/zinc/21/84/98/385218498.db2.gz AUWPDBCWUYWZOM-HUUCEWRRSA-N 1 0 241.419 3.609 20 0 BHADRO CCOCCCC[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000401683578 385211955 /nfs/dbraw/zinc/21/19/55/385211955.db2.gz AUWPDBCWUYWZOM-LSDHHAIUSA-N 1 0 241.419 3.609 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC000401779801 383980898 /nfs/dbraw/zinc/98/08/98/383980898.db2.gz AUPGPXZFNFZIQI-GHMZBOCLSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC000401779802 383980110 /nfs/dbraw/zinc/98/01/10/383980110.db2.gz AUPGPXZFNFZIQI-MNOVXSKESA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC000401779803 383980075 /nfs/dbraw/zinc/98/00/75/383980075.db2.gz AUPGPXZFNFZIQI-QWRGUYRKSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC000401779804 383981203 /nfs/dbraw/zinc/98/12/03/383981203.db2.gz AUPGPXZFNFZIQI-WDEREUQCSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000401788026 529277719 /nfs/dbraw/zinc/27/77/19/529277719.db2.gz FDIGKFODKWYGMI-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCSCC1 ZINC000401788030 529286881 /nfs/dbraw/zinc/28/68/81/529286881.db2.gz FDIGKFODKWYGMI-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000401788033 529204660 /nfs/dbraw/zinc/20/46/60/529204660.db2.gz FDIGKFODKWYGMI-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH2+]C1CCSCC1 ZINC000401788037 529209167 /nfs/dbraw/zinc/20/91/67/529209167.db2.gz FDIGKFODKWYGMI-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(F)F ZINC000401838742 384099247 /nfs/dbraw/zinc/09/92/47/384099247.db2.gz OYWNAQMPBFWZDJ-NEPJUHHUSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH2+]CCC(C)(F)F ZINC000401838743 384099587 /nfs/dbraw/zinc/09/95/87/384099587.db2.gz OYWNAQMPBFWZDJ-NWDGAFQWSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(F)F ZINC000401838744 384098407 /nfs/dbraw/zinc/09/84/07/384098407.db2.gz OYWNAQMPBFWZDJ-RYUDHWBXSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC(C)(F)F ZINC000401838745 384099216 /nfs/dbraw/zinc/09/92/16/384099216.db2.gz OYWNAQMPBFWZDJ-VXGBXAGGSA-N 1 0 233.346 3.838 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000401853192 529277696 /nfs/dbraw/zinc/27/76/96/529277696.db2.gz VTUFHMSTDNMYGR-BFHYXJOUSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000401853198 529286893 /nfs/dbraw/zinc/28/68/93/529286893.db2.gz VTUFHMSTDNMYGR-MCIONIFRSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000401853202 529277642 /nfs/dbraw/zinc/27/76/42/529277642.db2.gz VTUFHMSTDNMYGR-MGPQQGTHSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000401853207 529286891 /nfs/dbraw/zinc/28/68/91/529286891.db2.gz VTUFHMSTDNMYGR-MJBXVCDLSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC[C@H]1CCOC1 ZINC000401882722 529683505 /nfs/dbraw/zinc/68/35/05/529683505.db2.gz AMXYDUMKMXBMLP-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000401882724 529418134 /nfs/dbraw/zinc/41/81/34/529418134.db2.gz AMXYDUMKMXBMLP-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC[C@H]1CCOC1 ZINC000401882727 529418300 /nfs/dbraw/zinc/41/83/00/529418300.db2.gz AMXYDUMKMXBMLP-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000401882729 529683576 /nfs/dbraw/zinc/68/35/76/529683576.db2.gz AMXYDUMKMXBMLP-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1 ZINC000401948189 385587316 /nfs/dbraw/zinc/58/73/16/385587316.db2.gz KLWWHMSAGDUIIF-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000401948192 348824100 /nfs/dbraw/zinc/82/41/00/348824100.db2.gz KLWWHMSAGDUIIF-BPUTZDHNSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000401948196 348824153 /nfs/dbraw/zinc/82/41/53/348824153.db2.gz KLWWHMSAGDUIIF-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1 ZINC000401948199 348824190 /nfs/dbraw/zinc/82/41/90/348824190.db2.gz KLWWHMSAGDUIIF-KBMXLJTQSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc1 ZINC000401959027 384338544 /nfs/dbraw/zinc/33/85/44/384338544.db2.gz STQVZWVUMSPTPL-DVOMOZLQSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc1 ZINC000401959028 384337580 /nfs/dbraw/zinc/33/75/80/384337580.db2.gz STQVZWVUMSPTPL-IOASZLSFSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc1 ZINC000401959029 384337195 /nfs/dbraw/zinc/33/71/95/384337195.db2.gz STQVZWVUMSPTPL-WWGRRREGSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc1 ZINC000401959030 384337685 /nfs/dbraw/zinc/33/76/85/384337685.db2.gz STQVZWVUMSPTPL-XJKCOSOUSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)CCC[NH2+]CCc1c(F)cccc1F ZINC000401997415 324169908 /nfs/dbraw/zinc/16/99/08/324169908.db2.gz CAKOTYKOSANFBW-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1c(F)cccc1F ZINC000401997642 527669829 /nfs/dbraw/zinc/66/98/29/527669829.db2.gz CKBMYRIYHOODDD-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC000402043591 323133394 /nfs/dbraw/zinc/13/33/94/323133394.db2.gz LGOYRUJDESUWOC-GHMZBOCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC000402043592 323133406 /nfs/dbraw/zinc/13/34/06/323133406.db2.gz LGOYRUJDESUWOC-MNOVXSKESA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC000402043593 323133509 /nfs/dbraw/zinc/13/35/09/323133509.db2.gz LGOYRUJDESUWOC-QWRGUYRKSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC000402043594 323133405 /nfs/dbraw/zinc/13/34/05/323133405.db2.gz LGOYRUJDESUWOC-WDEREUQCSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H]([NH2+]CCc1c(F)cccc1F)C(C)C ZINC000402043663 323133451 /nfs/dbraw/zinc/13/34/51/323133451.db2.gz LMTLAMUYHQJIDS-AWEZNQCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H]([NH2+]CCc1c(F)cccc1F)C(C)C ZINC000402043664 323133458 /nfs/dbraw/zinc/13/34/58/323133458.db2.gz LMTLAMUYHQJIDS-CQSZACIVSA-N 1 0 241.325 3.532 20 0 BHADRO C[C@H]([NH2+]CCc1c(F)cccc1F)C(C)(C)C ZINC000402044090 533868845 /nfs/dbraw/zinc/86/88/45/533868845.db2.gz LPUNGZMKAGMPTG-JTQLQIEISA-N 1 0 241.325 3.532 20 0 BHADRO C[C@@H]([NH2+]CCc1c(F)cccc1F)C(C)(C)C ZINC000402044092 533403671 /nfs/dbraw/zinc/40/36/71/533403671.db2.gz LPUNGZMKAGMPTG-SNVBAGLBSA-N 1 0 241.325 3.532 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1 ZINC000402371008 350227225 /nfs/dbraw/zinc/22/72/25/350227225.db2.gz YIKNNHLAJBRWDX-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000402371010 350227369 /nfs/dbraw/zinc/22/73/69/350227369.db2.gz YIKNNHLAJBRWDX-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000402371012 350227252 /nfs/dbraw/zinc/22/72/52/350227252.db2.gz YIKNNHLAJBRWDX-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1 ZINC000402371014 350227413 /nfs/dbraw/zinc/22/74/13/350227413.db2.gz YIKNNHLAJBRWDX-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C(C)C)CC(F)(F)F ZINC000402447626 529495167 /nfs/dbraw/zinc/49/51/67/529495167.db2.gz GOULMXYPIFCKHF-NXEZZACHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C(C)C)CC(F)(F)F ZINC000402447627 529368112 /nfs/dbraw/zinc/36/81/12/529368112.db2.gz GOULMXYPIFCKHF-UWVGGRQHSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C(C)C)CC(F)(F)F ZINC000402447629 529494639 /nfs/dbraw/zinc/49/46/39/529494639.db2.gz GOULMXYPIFCKHF-VHSXEESVSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C(C)C)CC(F)(F)F ZINC000402447630 529370151 /nfs/dbraw/zinc/37/01/51/529370151.db2.gz GOULMXYPIFCKHF-ZJUUUORDSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402463658 529327201 /nfs/dbraw/zinc/32/72/01/529327201.db2.gz NVXFVEGSFLGMIF-NXEZZACHSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402463659 529668080 /nfs/dbraw/zinc/66/80/80/529668080.db2.gz NVXFVEGSFLGMIF-UWVGGRQHSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H](C)CC)CC(F)(F)F ZINC000402463661 529490090 /nfs/dbraw/zinc/49/00/90/529490090.db2.gz NVXFVEGSFLGMIF-VHSXEESVSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402463663 529327540 /nfs/dbraw/zinc/32/75/40/529327540.db2.gz NVXFVEGSFLGMIF-ZJUUUORDSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402464695 529206494 /nfs/dbraw/zinc/20/64/94/529206494.db2.gz OINIAQYHQUGSGN-AXFHLTTASA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402464697 529242002 /nfs/dbraw/zinc/24/20/02/529242002.db2.gz OINIAQYHQUGSGN-DCAQKATOSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402464699 529393580 /nfs/dbraw/zinc/39/35/80/529393580.db2.gz OINIAQYHQUGSGN-MXWKQRLJSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402464701 529413784 /nfs/dbraw/zinc/41/37/84/529413784.db2.gz OINIAQYHQUGSGN-VWYCJHECSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)CC(C)C)CC(F)(F)F ZINC000402507962 529495227 /nfs/dbraw/zinc/49/52/27/529495227.db2.gz GLSSJURPVKADGJ-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)CC(C)C)CC(F)(F)F ZINC000402507967 529369979 /nfs/dbraw/zinc/36/99/79/529369979.db2.gz GLSSJURPVKADGJ-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)CC(C)C)CC(F)(F)F ZINC000402507970 529368514 /nfs/dbraw/zinc/36/85/14/529368514.db2.gz GLSSJURPVKADGJ-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)CC(C)C)CC(F)(F)F ZINC000402507973 529494736 /nfs/dbraw/zinc/49/47/36/529494736.db2.gz GLSSJURPVKADGJ-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC000402514633 529490335 /nfs/dbraw/zinc/49/03/35/529490335.db2.gz KJQZQFBRVMMSLL-NEPJUHHUSA-N 1 0 249.320 3.911 20 0 BHADRO CC[C@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC000402514635 529360973 /nfs/dbraw/zinc/36/09/73/529360973.db2.gz KJQZQFBRVMMSLL-NWDGAFQWSA-N 1 0 249.320 3.911 20 0 BHADRO CC[C@H](C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC000402514637 529360775 /nfs/dbraw/zinc/36/07/75/529360775.db2.gz KJQZQFBRVMMSLL-RYUDHWBXSA-N 1 0 249.320 3.911 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC000402514641 529490219 /nfs/dbraw/zinc/49/02/19/529490219.db2.gz KJQZQFBRVMMSLL-VXGBXAGGSA-N 1 0 249.320 3.911 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C(C)(C)C)CC(F)(F)F ZINC000402524961 529495250 /nfs/dbraw/zinc/49/52/50/529495250.db2.gz QPXSMZNHTFINLF-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000402524962 529368391 /nfs/dbraw/zinc/36/83/91/529368391.db2.gz QPXSMZNHTFINLF-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000402524963 529494630 /nfs/dbraw/zinc/49/46/30/529494630.db2.gz QPXSMZNHTFINLF-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C(C)(C)C)CC(F)(F)F ZINC000402524964 529370158 /nfs/dbraw/zinc/37/01/58/529370158.db2.gz QPXSMZNHTFINLF-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC)C(C)C)CC(F)(F)F ZINC000402529410 529495563 /nfs/dbraw/zinc/49/55/63/529495563.db2.gz TYCVOVKIHFKVMZ-GHMZBOCLSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC)C(C)C)CC(F)(F)F ZINC000402529411 529495210 /nfs/dbraw/zinc/49/52/10/529495210.db2.gz TYCVOVKIHFKVMZ-MNOVXSKESA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC)C(C)C)CC(F)(F)F ZINC000402529412 529368929 /nfs/dbraw/zinc/36/89/29/529368929.db2.gz TYCVOVKIHFKVMZ-QWRGUYRKSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](CC)CC(F)(F)F)C(C)C ZINC000402529413 529173412 /nfs/dbraw/zinc/17/34/12/529173412.db2.gz TYCVOVKIHFKVMZ-WDEREUQCSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C[NH2+]CCC(C)(C)C)CC(F)(F)F ZINC000402531175 529360812 /nfs/dbraw/zinc/36/08/12/529360812.db2.gz VDAXNFYINPQOEA-JTQLQIEISA-N 1 0 239.325 3.991 20 0 BHADRO CC[C@@H](C[NH2+]CCC(C)(C)C)CC(F)(F)F ZINC000402531176 529489820 /nfs/dbraw/zinc/48/98/20/529489820.db2.gz VDAXNFYINPQOEA-SNVBAGLBSA-N 1 0 239.325 3.991 20 0 BHADRO CC[C@H](C[NH2+]CC1(C)CCC1)CC(F)(F)F ZINC000402535827 488093969 /nfs/dbraw/zinc/09/39/69/488093969.db2.gz XXKKEPFRUHTVBC-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H](C[NH2+]CC1(C)CCC1)CC(F)(F)F ZINC000402535828 488094067 /nfs/dbraw/zinc/09/40/67/488094067.db2.gz XXKKEPFRUHTVBC-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H](C[NH2+]CC(C)(C)C)CC(F)(F)F ZINC000402542995 529489727 /nfs/dbraw/zinc/48/97/27/529489727.db2.gz FAWPQZLGTSOULP-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@H](C[NH2+]CC(C)(C)C)CC(F)(F)F ZINC000402542997 529361166 /nfs/dbraw/zinc/36/11/66/529361166.db2.gz FAWPQZLGTSOULP-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccc(C)o1)CC(F)(F)F ZINC000402547812 529361469 /nfs/dbraw/zinc/36/14/69/529361469.db2.gz GMYXEZVIAIENCQ-JTQLQIEISA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccc(C)o1)CC(F)(F)F ZINC000402547845 529490099 /nfs/dbraw/zinc/49/00/99/529490099.db2.gz GMYXEZVIAIENCQ-SNVBAGLBSA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC1(C)C)CC(F)(F)F ZINC000402550943 529495342 /nfs/dbraw/zinc/49/53/42/529495342.db2.gz HIYWJRBXPMTMAV-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC1(C)C)CC(F)(F)F ZINC000402550945 529370899 /nfs/dbraw/zinc/37/08/99/529370899.db2.gz HIYWJRBXPMTMAV-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC1(C)C)CC(F)(F)F ZINC000402550948 529369239 /nfs/dbraw/zinc/36/92/39/529369239.db2.gz HIYWJRBXPMTMAV-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC1(C)C)CC(F)(F)F ZINC000402550952 529495529 /nfs/dbraw/zinc/49/55/29/529495529.db2.gz HIYWJRBXPMTMAV-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)CC1CC1)CC(F)(F)F ZINC000402562052 529495557 /nfs/dbraw/zinc/49/55/57/529495557.db2.gz LYSGVWQAVZSLBV-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)CC1CC1)CC(F)(F)F ZINC000402562054 529368472 /nfs/dbraw/zinc/36/84/72/529368472.db2.gz LYSGVWQAVZSLBV-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)CC1CC1)CC(F)(F)F ZINC000402562056 529494686 /nfs/dbraw/zinc/49/46/86/529494686.db2.gz LYSGVWQAVZSLBV-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)CC1CC1)CC(F)(F)F ZINC000402562057 529370197 /nfs/dbraw/zinc/37/01/97/529370197.db2.gz LYSGVWQAVZSLBV-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+]C(C1CC1)C1CC1)CC(F)(F)F ZINC000402565415 369386362 /nfs/dbraw/zinc/38/63/62/369386362.db2.gz NSDXCFDJTUPSGD-SECBINFHSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+]C(C1CC1)C1CC1)CC(F)(F)F ZINC000402565419 369386295 /nfs/dbraw/zinc/38/62/95/369386295.db2.gz NSDXCFDJTUPSGD-VIFPVBQESA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ccco1)CC(F)(F)F ZINC000402572910 529495793 /nfs/dbraw/zinc/49/57/93/529495793.db2.gz RHUPZAZYGSEAJW-NXEZZACHSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ccco1)CC(F)(F)F ZINC000402572913 529368872 /nfs/dbraw/zinc/36/88/72/529368872.db2.gz RHUPZAZYGSEAJW-UWVGGRQHSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ccco1)CC(F)(F)F ZINC000402572916 529495079 /nfs/dbraw/zinc/49/50/79/529495079.db2.gz RHUPZAZYGSEAJW-VHSXEESVSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ccco1)CC(F)(F)F ZINC000402572921 529370799 /nfs/dbraw/zinc/37/07/99/529370799.db2.gz RHUPZAZYGSEAJW-ZJUUUORDSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C)CC(F)(F)F ZINC000402574877 529370821 /nfs/dbraw/zinc/37/08/21/529370821.db2.gz SLEVRGUSLWPBHB-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)CC(F)(F)F ZINC000402574878 529368697 /nfs/dbraw/zinc/36/86/97/529368697.db2.gz SLEVRGUSLWPBHB-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C)CC(F)(F)F ZINC000402574879 529368820 /nfs/dbraw/zinc/36/88/20/529368820.db2.gz SLEVRGUSLWPBHB-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@H]1C)CC(F)(F)F ZINC000402574880 529370834 /nfs/dbraw/zinc/37/08/34/529370834.db2.gz SLEVRGUSLWPBHB-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccoc1C)CC(F)(F)F ZINC000402577719 529362417 /nfs/dbraw/zinc/36/24/17/529362417.db2.gz QYIAMRMSAOIJBO-JTQLQIEISA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccoc1C)CC(F)(F)F ZINC000402577720 529490758 /nfs/dbraw/zinc/49/07/58/529490758.db2.gz QYIAMRMSAOIJBO-SNVBAGLBSA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H](C)C1)CC(F)(F)F ZINC000402580891 529371439 /nfs/dbraw/zinc/37/14/39/529371439.db2.gz WAXXOIPJEXWANL-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)CC(F)(F)F ZINC000402580892 529369481 /nfs/dbraw/zinc/36/94/81/529369481.db2.gz WAXXOIPJEXWANL-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CC(F)(F)F ZINC000402580893 529369692 /nfs/dbraw/zinc/36/96/92/529369692.db2.gz WAXXOIPJEXWANL-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)CC(F)(F)F ZINC000402580894 529371073 /nfs/dbraw/zinc/37/10/73/529371073.db2.gz WAXXOIPJEXWANL-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)CC(F)(F)F ZINC000402583719 529370156 /nfs/dbraw/zinc/37/01/56/529370156.db2.gz VSKWVCIQDISWOI-CHWFTXMASA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)CC(F)(F)F ZINC000402583720 529370618 /nfs/dbraw/zinc/37/06/18/529370618.db2.gz VSKWVCIQDISWOI-VLEAKVRGSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)CC(F)(F)F ZINC000402583721 529370818 /nfs/dbraw/zinc/37/08/18/529370818.db2.gz VSKWVCIQDISWOI-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)CC(F)(F)F ZINC000402583722 529370304 /nfs/dbraw/zinc/37/03/04/529370304.db2.gz VSKWVCIQDISWOI-ZRUFSTJUSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1CCC1)CC(F)(F)F ZINC000402587473 529495407 /nfs/dbraw/zinc/49/54/07/529495407.db2.gz ZKIIEDCTUCMCRJ-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1CCC1)CC(F)(F)F ZINC000402587475 529368201 /nfs/dbraw/zinc/36/82/01/529368201.db2.gz ZKIIEDCTUCMCRJ-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1CCC1)CC(F)(F)F ZINC000402587478 529494752 /nfs/dbraw/zinc/49/47/52/529494752.db2.gz ZKIIEDCTUCMCRJ-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1CCC1)CC(F)(F)F ZINC000402587481 529370296 /nfs/dbraw/zinc/37/02/96/529370296.db2.gz ZKIIEDCTUCMCRJ-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+]Cc1occc1C)CC(F)(F)F ZINC000402588523 529362386 /nfs/dbraw/zinc/36/23/86/529362386.db2.gz ZWJXCBZMMIUOFX-JTQLQIEISA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+]Cc1occc1C)CC(F)(F)F ZINC000402588524 529490974 /nfs/dbraw/zinc/49/09/74/529490974.db2.gz ZWJXCBZMMIUOFX-SNVBAGLBSA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1(C)CC1)CC(F)(F)F ZINC000402656550 529495340 /nfs/dbraw/zinc/49/53/40/529495340.db2.gz JFVAMNQCDUEXNU-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1(C)CC1)CC(F)(F)F ZINC000402656552 529368308 /nfs/dbraw/zinc/36/83/08/529368308.db2.gz JFVAMNQCDUEXNU-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1(C)CC1)CC(F)(F)F ZINC000402656554 386141350 /nfs/dbraw/zinc/14/13/50/386141350.db2.gz JFVAMNQCDUEXNU-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1(C)CC1)CC(F)(F)F ZINC000402657067 529370227 /nfs/dbraw/zinc/37/02/27/529370227.db2.gz JFVAMNQCDUEXNU-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ccoc1)CC(F)(F)F ZINC000402667267 323330316 /nfs/dbraw/zinc/33/03/16/323330316.db2.gz MVYLUJNZYHKHGN-NXEZZACHSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ccoc1)CC(F)(F)F ZINC000402667268 323330121 /nfs/dbraw/zinc/33/01/21/323330121.db2.gz MVYLUJNZYHKHGN-UWVGGRQHSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ccoc1)CC(F)(F)F ZINC000402667269 323330224 /nfs/dbraw/zinc/33/02/24/323330224.db2.gz MVYLUJNZYHKHGN-VHSXEESVSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ccoc1)CC(F)(F)F ZINC000402667271 323330229 /nfs/dbraw/zinc/33/02/29/323330229.db2.gz MVYLUJNZYHKHGN-ZJUUUORDSA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000402667291 259335008 /nfs/dbraw/zinc/33/50/08/259335008.db2.gz MWXOSDFOIVFXND-NNYUYHANSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000402667293 488099019 /nfs/dbraw/zinc/09/90/19/488099019.db2.gz MWXOSDFOIVFXND-USZNOCQGSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000402667295 488098734 /nfs/dbraw/zinc/09/87/34/488098734.db2.gz MWXOSDFOIVFXND-WHOHXGKFSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000402667298 488098702 /nfs/dbraw/zinc/09/87/02/488098702.db2.gz MWXOSDFOIVFXND-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000402667301 488099223 /nfs/dbraw/zinc/09/92/23/488099223.db2.gz MWXOSDFOIVFXND-WYUUTHIRSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](CNc1cccc(C)[nH+]1)CC(F)(F)F ZINC000402677029 529371667 /nfs/dbraw/zinc/37/16/67/529371667.db2.gz QEEWCAPYVPCKNN-JTQLQIEISA-N 1 0 246.276 3.781 20 0 BHADRO CC[C@@H](CNc1cccc(C)[nH+]1)CC(F)(F)F ZINC000402677032 529496334 /nfs/dbraw/zinc/49/63/34/529496334.db2.gz QEEWCAPYVPCKNN-SNVBAGLBSA-N 1 0 246.276 3.781 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)CC(F)(F)F ZINC000402711059 529369620 /nfs/dbraw/zinc/36/96/20/529369620.db2.gz KCHARKPECJOIJQ-CHWFTXMASA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)CC(F)(F)F ZINC000402711065 529369622 /nfs/dbraw/zinc/36/96/22/529369622.db2.gz KCHARKPECJOIJQ-VPOLOUISSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)CC(F)(F)F ZINC000402711071 386202512 /nfs/dbraw/zinc/20/25/12/386202512.db2.gz KCHARKPECJOIJQ-XWLWVQCSSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)CC(F)(F)F ZINC000402711078 529370166 /nfs/dbraw/zinc/37/01/66/529370166.db2.gz KCHARKPECJOIJQ-ZRUFSTJUSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](CNc1cc(C)cc[nH+]1)CC(F)(F)F ZINC000402723663 529371217 /nfs/dbraw/zinc/37/12/17/529371217.db2.gz YQEFQDSJBJCXJH-JTQLQIEISA-N 1 0 246.276 3.781 20 0 BHADRO CC[C@@H](CNc1cc(C)cc[nH+]1)CC(F)(F)F ZINC000402723665 529496016 /nfs/dbraw/zinc/49/60/16/529496016.db2.gz YQEFQDSJBJCXJH-SNVBAGLBSA-N 1 0 246.276 3.781 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccccc1)CC(F)(F)F ZINC000402741701 529490620 /nfs/dbraw/zinc/49/06/20/529490620.db2.gz MUZUOAWMCLLMQK-LLVKDONJSA-N 1 0 245.288 3.755 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccccc1)CC(F)(F)F ZINC000402741704 529361680 /nfs/dbraw/zinc/36/16/80/529361680.db2.gz MUZUOAWMCLLMQK-NSHDSACASA-N 1 0 245.288 3.755 20 0 BHADRO CCC(CC)[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402747984 386245925 /nfs/dbraw/zinc/24/59/25/386245925.db2.gz OWHUSOLWABPLEZ-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402747986 386245861 /nfs/dbraw/zinc/24/58/61/386245861.db2.gz OWHUSOLWABPLEZ-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](CC)CC(F)(F)F)C1CC1 ZINC000402758031 529173091 /nfs/dbraw/zinc/17/30/91/529173091.db2.gz XQLSDISBRJNWGR-GXSJLCMTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC)C1CC1)CC(F)(F)F ZINC000402758034 529495234 /nfs/dbraw/zinc/49/52/34/529495234.db2.gz XQLSDISBRJNWGR-KOLCDFICSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC)C1CC1)CC(F)(F)F ZINC000402758038 529495740 /nfs/dbraw/zinc/49/57/40/529495740.db2.gz XQLSDISBRJNWGR-MWLCHTKSSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC)C1CC1)CC(F)(F)F ZINC000402758040 529368870 /nfs/dbraw/zinc/36/88/70/529368870.db2.gz XQLSDISBRJNWGR-ONGXEEELSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CC1 ZINC000402758304 387425505 /nfs/dbraw/zinc/42/55/05/387425505.db2.gz GIAFBLBSUZEKMF-GXSJLCMTSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CC1 ZINC000402758305 323421655 /nfs/dbraw/zinc/42/16/55/323421655.db2.gz GIAFBLBSUZEKMF-KOLCDFICSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CC1 ZINC000402758306 323421305 /nfs/dbraw/zinc/42/13/05/323421305.db2.gz GIAFBLBSUZEKMF-MWLCHTKSSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CC1 ZINC000402758307 387815367 /nfs/dbraw/zinc/81/53/67/387815367.db2.gz GIAFBLBSUZEKMF-ONGXEEELSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H](C[NH2+]C1CCCCC1)CC(F)(F)F ZINC000402767429 529361039 /nfs/dbraw/zinc/36/10/39/529361039.db2.gz PFUJTORAPNNZLX-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](C[NH2+]C1CCCCC1)CC(F)(F)F ZINC000402767430 529489702 /nfs/dbraw/zinc/48/97/02/529489702.db2.gz PFUJTORAPNNZLX-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000402788227 229267323 /nfs/dbraw/zinc/26/73/23/229267323.db2.gz RSUTVLHXRFLNMJ-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C(C)(C)C ZINC000402788231 533408803 /nfs/dbraw/zinc/40/88/03/533408803.db2.gz RSUTVLHXRFLNMJ-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000402788232 534121841 /nfs/dbraw/zinc/12/18/41/534121841.db2.gz RSUTVLHXRFLNMJ-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)CC(F)(F)F ZINC000402788234 534081488 /nfs/dbraw/zinc/08/14/88/534081488.db2.gz RSUTVLHXRFLNMJ-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(C)(C)C1)CC(F)(F)F ZINC000402788663 529489877 /nfs/dbraw/zinc/48/98/77/529489877.db2.gz VMTSPCVMVBVNHB-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+]C1CC(C)(C)C1)CC(F)(F)F ZINC000402788666 529360475 /nfs/dbraw/zinc/36/04/75/529360475.db2.gz VMTSPCVMVBVNHB-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CCC1CC1)CC(F)(F)F ZINC000402794911 534082781 /nfs/dbraw/zinc/08/27/81/534082781.db2.gz VDFUKLYIKVLGJI-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CCC1CC1)CC(F)(F)F ZINC000402794914 229268676 /nfs/dbraw/zinc/26/86/76/229268676.db2.gz VDFUKLYIKVLGJI-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000402794916 533824627 /nfs/dbraw/zinc/82/46/27/533824627.db2.gz VDFUKLYIKVLGJI-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCC1CC1)CC(F)(F)F ZINC000402794918 534077995 /nfs/dbraw/zinc/07/79/95/534077995.db2.gz VDFUKLYIKVLGJI-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402801001 528899459 /nfs/dbraw/zinc/89/94/59/528899459.db2.gz YQHOCTYVRVEGIH-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402801002 528064880 /nfs/dbraw/zinc/06/48/80/528064880.db2.gz YQHOCTYVRVEGIH-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402801003 528065627 /nfs/dbraw/zinc/06/56/27/528065627.db2.gz YQHOCTYVRVEGIH-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402801004 528899160 /nfs/dbraw/zinc/89/91/60/528899160.db2.gz YQHOCTYVRVEGIH-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC(C)C1(C[NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000402854279 385360836 /nfs/dbraw/zinc/36/08/36/385360836.db2.gz OZHQKVJMDUCOIR-JTQLQIEISA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)C1(C[NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000402854284 385359912 /nfs/dbraw/zinc/35/99/12/385359912.db2.gz OZHQKVJMDUCOIR-SNVBAGLBSA-N 1 0 237.309 3.601 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)CC(F)(F)F ZINC000402877294 229277448 /nfs/dbraw/zinc/27/74/48/229277448.db2.gz YAQDLNAECNYQRG-BXKDBHETSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)CC(F)(F)F ZINC000402877296 534124860 /nfs/dbraw/zinc/12/48/60/534124860.db2.gz YAQDLNAECNYQRG-CABZTGNLSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)CC(F)(F)F ZINC000402877298 229276930 /nfs/dbraw/zinc/27/69/30/229276930.db2.gz YAQDLNAECNYQRG-JOYOIKCWSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)CC(F)(F)F ZINC000402877300 534083045 /nfs/dbraw/zinc/08/30/45/534083045.db2.gz YAQDLNAECNYQRG-SKDRFNHKSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(C)o1 ZINC000403164099 411329823 /nfs/dbraw/zinc/32/98/23/411329823.db2.gz AZIQRMKIMSVNGV-DOERSZECSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)o1 ZINC000403164101 411330474 /nfs/dbraw/zinc/33/04/74/411330474.db2.gz AZIQRMKIMSVNGV-IGHBBLSQSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1[nH+]c2c(n1C[C@@H]1CC[C@H]3C[C@H]3C1)CCCC2 ZINC000403164701 488115990 /nfs/dbraw/zinc/11/59/90/488115990.db2.gz LROKCOXKZZZFMN-HZSPNIEDSA-N 1 0 244.382 3.507 20 0 BHADRO Cc1[nH+]c2c(n1C[C@@H]1CC[C@@H]3C[C@@H]3C1)CCCC2 ZINC000403164702 488115622 /nfs/dbraw/zinc/11/56/22/488115622.db2.gz LROKCOXKZZZFMN-MCIONIFRSA-N 1 0 244.382 3.507 20 0 BHADRO CC[C@@H](OCC[NH2+][C@@H](C)CC)c1ccccc1 ZINC000403170445 411331735 /nfs/dbraw/zinc/33/17/35/411331735.db2.gz JXDKNGTWGPRMFA-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]CCO[C@@H](CC)c1ccccc1 ZINC000403170448 411331894 /nfs/dbraw/zinc/33/18/94/411331894.db2.gz JXDKNGTWGPRMFA-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@@H](C)[NH2+]CCO[C@H](CC)c1ccccc1 ZINC000403170451 411331889 /nfs/dbraw/zinc/33/18/89/411331889.db2.gz JXDKNGTWGPRMFA-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](C)[NH2+]CCO[C@@H](CC)c1ccccc1 ZINC000403170452 411332006 /nfs/dbraw/zinc/33/20/06/411332006.db2.gz JXDKNGTWGPRMFA-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](OCC[NH2+]C1CCCC1)c1ccccc1 ZINC000403174030 411332075 /nfs/dbraw/zinc/33/20/75/411332075.db2.gz LITOMVMGUGJLDV-INIZCTEOSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H](OCC[NH2+]C1CCCC1)c1ccccc1 ZINC000403174032 411332179 /nfs/dbraw/zinc/33/21/79/411332179.db2.gz LITOMVMGUGJLDV-MRXNPFEDSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000403221934 411335514 /nfs/dbraw/zinc/33/55/14/411335514.db2.gz LBMHYHLXCGMQIT-FMCLSXCISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000403221936 411335792 /nfs/dbraw/zinc/33/57/92/411335792.db2.gz LBMHYHLXCGMQIT-ZJQBRPOHSA-N 1 0 235.396 3.896 20 0 BHADRO CC[C@H](OCC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000403222862 411335635 /nfs/dbraw/zinc/33/56/35/411335635.db2.gz VJOZOAQUBBXGBA-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000403222863 411335676 /nfs/dbraw/zinc/33/56/76/411335676.db2.gz VJOZOAQUBBXGBA-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](OCC[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000403222865 411335584 /nfs/dbraw/zinc/33/55/84/411335584.db2.gz VJOZOAQUBBXGBA-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](OCC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000403222868 411335537 /nfs/dbraw/zinc/33/55/37/411335537.db2.gz VJOZOAQUBBXGBA-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccsc1 ZINC000403259744 411339841 /nfs/dbraw/zinc/33/98/41/411339841.db2.gz XGSRSLLUPYGFSM-DEQVHRJGSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccsc1 ZINC000403259745 411339367 /nfs/dbraw/zinc/33/93/67/411339367.db2.gz XGSRSLLUPYGFSM-ZRJCITRHSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(F)(F)F ZINC000403313276 384628704 /nfs/dbraw/zinc/62/87/04/384628704.db2.gz AZLDLKXUGQDJIO-QCNOEVLYSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)CC(F)(F)F ZINC000403313278 384628333 /nfs/dbraw/zinc/62/83/33/384628333.db2.gz AZLDLKXUGQDJIO-WHOHXGKFSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403324368 384633517 /nfs/dbraw/zinc/63/35/17/384633517.db2.gz CCDFZYJJBDHNFP-AOLWHUPESA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403324371 384633409 /nfs/dbraw/zinc/63/34/09/384633409.db2.gz CCDFZYJJBDHNFP-XKVFNRALSA-N 1 0 247.357 3.535 20 0 BHADRO Clc1ccsc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403324532 384634126 /nfs/dbraw/zinc/63/41/26/384634126.db2.gz NIYYZBYDQRLTRB-LPEHRKFASA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccsc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403324534 384634151 /nfs/dbraw/zinc/63/41/51/384634151.db2.gz NIYYZBYDQRLTRB-OPRDCNLKSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403330050 385327083 /nfs/dbraw/zinc/32/70/83/385327083.db2.gz FRUGWSRNVNGMQJ-GBOPCIDUSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403330052 385327303 /nfs/dbraw/zinc/32/73/03/385327303.db2.gz FRUGWSRNVNGMQJ-RJZRQDKASA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(F)c1 ZINC000403343201 411340919 /nfs/dbraw/zinc/34/09/19/411340919.db2.gz CZVWKMIWAQJCAN-GZCFXPHUSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(F)c1 ZINC000403343214 411341179 /nfs/dbraw/zinc/34/11/79/411341179.db2.gz CZVWKMIWAQJCAN-XTWPYSKKSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cc1 ZINC000403349431 411340959 /nfs/dbraw/zinc/34/09/59/411340959.db2.gz FLBSMYKOTYSOMT-GZCFXPHUSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cc1 ZINC000403349437 411341088 /nfs/dbraw/zinc/34/10/88/411341088.db2.gz FLBSMYKOTYSOMT-XTWPYSKKSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403354345 350712697 /nfs/dbraw/zinc/71/26/97/350712697.db2.gz LQTGTHXFVHOHEM-SYQHCUMBSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403354347 350712842 /nfs/dbraw/zinc/71/28/42/350712842.db2.gz LQTGTHXFVHOHEM-YIYPIFLZSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccs1 ZINC000403357193 487538258 /nfs/dbraw/zinc/53/82/58/487538258.db2.gz MEBRTTONGDBAST-LOWDOPEQSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cccs1 ZINC000403357198 488122229 /nfs/dbraw/zinc/12/22/29/488122229.db2.gz MEBRTTONGDBAST-QNWHQSFQSA-N 1 0 235.396 3.835 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403357904 411342577 /nfs/dbraw/zinc/34/25/77/411342577.db2.gz JWTNMZBHXLIXHH-UMSGYPCISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403357911 411342676 /nfs/dbraw/zinc/34/26/76/411342676.db2.gz JWTNMZBHXLIXHH-ZDEQEGDKSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(C)s1 ZINC000403366691 384643235 /nfs/dbraw/zinc/64/32/35/384643235.db2.gz LTZGSRXSZSTNCL-SGMGOOAPSA-N 1 0 235.396 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)s1 ZINC000403366697 384643115 /nfs/dbraw/zinc/64/31/15/384643115.db2.gz LTZGSRXSZSTNCL-YRGRVCCFSA-N 1 0 235.396 3.643 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1F ZINC000403373891 384642886 /nfs/dbraw/zinc/64/28/86/384642886.db2.gz JYYBWFQDBBYHLZ-UMSGYPCISA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1F ZINC000403373902 384642196 /nfs/dbraw/zinc/64/21/96/384642196.db2.gz JYYBWFQDBBYHLZ-ZDEQEGDKSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccs1 ZINC000403379726 411343612 /nfs/dbraw/zinc/34/36/12/411343612.db2.gz OICAJCPIYCSZDV-LPWJVIDDSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccs1 ZINC000403379729 411343656 /nfs/dbraw/zinc/34/36/56/411343656.db2.gz OICAJCPIYCSZDV-RVMXOQNASA-N 1 0 235.396 3.977 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccsc1 ZINC000403389465 488122094 /nfs/dbraw/zinc/12/20/94/488122094.db2.gz RRQXXEZJOXBJBJ-KZVDOYCCSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccsc1 ZINC000403389471 488122303 /nfs/dbraw/zinc/12/23/03/488122303.db2.gz RRQXXEZJOXBJBJ-SFTQSGBHSA-N 1 0 235.396 3.835 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000403390426 384649651 /nfs/dbraw/zinc/64/96/51/384649651.db2.gz QHXMSQXAURFVBS-UMSGYPCISA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403390428 384649891 /nfs/dbraw/zinc/64/98/91/384649891.db2.gz QHXMSQXAURFVBS-ZDEQEGDKSA-N 1 0 235.396 3.896 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403402819 322992419 /nfs/dbraw/zinc/99/24/19/322992419.db2.gz OXLBNRLZIOHSDV-APIJFGDWSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403402826 322992487 /nfs/dbraw/zinc/99/24/87/322992487.db2.gz OXLBNRLZIOHSDV-TUVASFSCSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H]([NH3+])c1ccc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403403210 488122053 /nfs/dbraw/zinc/12/20/53/488122053.db2.gz UTCAVWLZPXGABW-MXYBEHONSA-N 1 0 245.366 3.521 20 0 BHADRO C[C@H]([NH3+])c1ccc(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403403213 488122086 /nfs/dbraw/zinc/12/20/86/488122086.db2.gz UTCAVWLZPXGABW-MYZSUADSSA-N 1 0 245.366 3.521 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403411236 384652033 /nfs/dbraw/zinc/65/20/33/384652033.db2.gz KNOKTXWRJJMKSO-DDHJBXDOSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403411237 384653154 /nfs/dbraw/zinc/65/31/54/384653154.db2.gz KNOKTXWRJJMKSO-NOOOWODRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000403413735 411344203 /nfs/dbraw/zinc/34/42/03/411344203.db2.gz UZXFWIBULGLYJW-DTZQCDIJSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000403413744 411344323 /nfs/dbraw/zinc/34/43/23/411344323.db2.gz UZXFWIBULGLYJW-SYAUCNOPSA-N 1 0 229.367 3.568 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000403418263 384655530 /nfs/dbraw/zinc/65/55/30/384655530.db2.gz VTKDIAGIKGCFNU-IJLUTSLNSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403418267 384654942 /nfs/dbraw/zinc/65/49/42/384654942.db2.gz VTKDIAGIKGCFNU-SDDRHHMPSA-N 1 0 235.396 3.589 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403437466 384665799 /nfs/dbraw/zinc/66/57/99/384665799.db2.gz ZYJVRGWQLDNARZ-PAPYEOQZSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403437468 384665156 /nfs/dbraw/zinc/66/51/56/384665156.db2.gz ZYJVRGWQLDNARZ-QHSBEEBCSA-N 1 0 247.357 3.535 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403437599 384665534 /nfs/dbraw/zinc/66/55/34/384665534.db2.gz CDAKIKZUNUMPQO-OVZMXSCWSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403437601 384665360 /nfs/dbraw/zinc/66/53/60/384665360.db2.gz CDAKIKZUNUMPQO-QHSOUUPTSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403446961 384691034 /nfs/dbraw/zinc/69/10/34/384691034.db2.gz FBLVRPMYMWIDIK-AEKOTVAKSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403446963 384689591 /nfs/dbraw/zinc/68/95/91/384689591.db2.gz FBLVRPMYMWIDIK-JPYFCXBMSA-N 1 0 245.341 3.591 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403474360 398343985 /nfs/dbraw/zinc/34/39/85/398343985.db2.gz PSHCNBJUTCKJIJ-MELADBBJSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403474361 398344007 /nfs/dbraw/zinc/34/40/07/398344007.db2.gz PSHCNBJUTCKJIJ-MGPQQGTHSA-N 1 0 247.407 3.687 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403487640 384700233 /nfs/dbraw/zinc/70/02/33/384700233.db2.gz UPKYXGHQWZLBSC-BYNQJWBRSA-N 1 0 247.407 3.904 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403487647 384701241 /nfs/dbraw/zinc/70/12/41/384701241.db2.gz UPKYXGHQWZLBSC-FMSGJZPZSA-N 1 0 247.407 3.904 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403504824 384770145 /nfs/dbraw/zinc/77/01/45/384770145.db2.gz ZQOYNBLFYKXZQD-FBIMIBRVSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403504826 384769488 /nfs/dbraw/zinc/76/94/88/384769488.db2.gz ZQOYNBLFYKXZQD-INTQDDNPSA-N 1 0 241.787 3.680 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403512026 384800901 /nfs/dbraw/zinc/80/09/01/384800901.db2.gz IQYBFHSJWOZXBF-CYUUQNCZSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403512031 384800766 /nfs/dbraw/zinc/80/07/66/384800766.db2.gz IQYBFHSJWOZXBF-ZGKBOVNRSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403513878 384800564 /nfs/dbraw/zinc/80/05/64/384800564.db2.gz JEKOTDRCDXSHQF-HVNMYJMUSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403513879 384800961 /nfs/dbraw/zinc/80/09/61/384800961.db2.gz JEKOTDRCDXSHQF-KDBYPZKRSA-N 1 0 245.366 3.681 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403533953 384824074 /nfs/dbraw/zinc/82/40/74/384824074.db2.gz PDIOGFQCQOVNGM-REWJHTLYSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403534473 384824913 /nfs/dbraw/zinc/82/49/13/384824913.db2.gz PDIOGFQCQOVNGM-XDQVBPFNSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403572524 384839254 /nfs/dbraw/zinc/83/92/54/384839254.db2.gz XVRMTOLXWXTPCE-CYUUQNCZSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403572532 384837012 /nfs/dbraw/zinc/83/70/12/384837012.db2.gz XVRMTOLXWXTPCE-ZGKBOVNRSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403695248 488132398 /nfs/dbraw/zinc/13/23/98/488132398.db2.gz SIDXFQLEYKQRFA-DGAVXFQQSA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403695267 488132321 /nfs/dbraw/zinc/13/23/21/488132321.db2.gz SIDXFQLEYKQRFA-RFQIPJPRSA-N 1 0 233.355 3.675 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccs1 ZINC000403701907 384855404 /nfs/dbraw/zinc/85/54/04/384855404.db2.gz UQPLQYZQHDBRKD-FIQHERPVSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccs1 ZINC000403701909 384854971 /nfs/dbraw/zinc/85/49/71/384854971.db2.gz UQPLQYZQHDBRKD-IRCOFANPSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000403709065 384854682 /nfs/dbraw/zinc/85/46/82/384854682.db2.gz WQJHJXDQJXMNSG-CYUUQNCZSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000403709075 384855455 /nfs/dbraw/zinc/85/54/55/384855455.db2.gz WQJHJXDQJXMNSG-ZGKBOVNRSA-N 1 0 215.340 3.526 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403713053 384399914 /nfs/dbraw/zinc/39/99/14/384399914.db2.gz XWXUEKFSTAXAOE-GRYCIOLGSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403713055 322993217 /nfs/dbraw/zinc/99/32/17/322993217.db2.gz XWXUEKFSTAXAOE-UTUOFQBUSA-N 1 0 243.341 3.590 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403714849 384855281 /nfs/dbraw/zinc/85/52/81/384855281.db2.gz YICRTCQZBHZCKC-LPEHRKFASA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000403714852 384855491 /nfs/dbraw/zinc/85/54/91/384855491.db2.gz YICRTCQZBHZCKC-OPRDCNLKSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccsc1 ZINC000403718097 384854771 /nfs/dbraw/zinc/85/47/71/384854771.db2.gz ZDOMHBSBIQLIJR-XKAARJIMSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccsc1 ZINC000403718098 384854248 /nfs/dbraw/zinc/85/42/48/384854248.db2.gz ZDOMHBSBIQLIJR-XRRVDJEJSA-N 1 0 221.369 3.587 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403719443 384854939 /nfs/dbraw/zinc/85/49/39/384854939.db2.gz HOPPDVHYAQUWEC-FPMFFAJLSA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403719447 384854214 /nfs/dbraw/zinc/85/42/14/384854214.db2.gz HOPPDVHYAQUWEC-MRVWCRGKSA-N 1 0 241.334 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC000403750517 384859530 /nfs/dbraw/zinc/85/95/30/384859530.db2.gz OVDISJQVSUTXJO-QAXWGOSPSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1 ZINC000403750523 384860701 /nfs/dbraw/zinc/86/07/01/384860701.db2.gz OVDISJQVSUTXJO-UWEUSHKOSA-N 1 0 241.378 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403767976 384857727 /nfs/dbraw/zinc/85/77/27/384857727.db2.gz SVBPSWMCUAAFTQ-SGMGOOAPSA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403767977 384857382 /nfs/dbraw/zinc/85/73/82/384857382.db2.gz SVBPSWMCUAAFTQ-YRGRVCCFSA-N 1 0 241.334 3.711 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccns1 ZINC000404309341 351353398 /nfs/dbraw/zinc/35/33/98/351353398.db2.gz UZBLKNRQFVSUIM-UHFFFAOYSA-N 1 0 240.416 3.694 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccns2)c1 ZINC000404315041 351366532 /nfs/dbraw/zinc/36/65/32/351366532.db2.gz AYDJBLIYLNCCJP-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccns2)c1 ZINC000404315042 351366904 /nfs/dbraw/zinc/36/69/04/351366904.db2.gz AYDJBLIYLNCCJP-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccns1)C1CCCC1 ZINC000404318791 351366567 /nfs/dbraw/zinc/36/65/67/351366567.db2.gz IISNZIPFBPLSNT-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccns1)C1CCCC1 ZINC000404318792 351366959 /nfs/dbraw/zinc/36/69/59/351366959.db2.gz IISNZIPFBPLSNT-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO c1cc(C[NH2+]CCCC2CCCCC2)sn1 ZINC000404326346 384971029 /nfs/dbraw/zinc/97/10/29/384971029.db2.gz MTEDMQZFDIRSHP-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CC1(C[NH2+]Cc2ccns2)CCCCCC1 ZINC000404339039 372081776 /nfs/dbraw/zinc/08/17/76/372081776.db2.gz RWVNVJFWOLQBSK-UHFFFAOYSA-N 1 0 238.400 3.593 20 0 BHADRO CCCC1CCC([NH2+]Cc2ccns2)CC1 ZINC000404416578 351431546 /nfs/dbraw/zinc/43/15/46/351431546.db2.gz DUKWAEUFNPMXLR-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2C)sn1 ZINC000404436512 397977615 /nfs/dbraw/zinc/97/76/15/397977615.db2.gz GPICUDACRKEBPB-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)sn1 ZINC000404440133 384993285 /nfs/dbraw/zinc/99/32/85/384993285.db2.gz JHALWBVACONPEP-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)sn1 ZINC000404440134 384992179 /nfs/dbraw/zinc/99/21/79/384992179.db2.gz JHALWBVACONPEP-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccns1)C1CCCCC1 ZINC000404443076 351459359 /nfs/dbraw/zinc/45/93/59/351459359.db2.gz YQWUNVHEKKVGCQ-CYBMUJFWSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]([NH2+]Cc1ccns1)C1CCCCC1 ZINC000404443077 351459175 /nfs/dbraw/zinc/45/91/75/351459175.db2.gz YQWUNVHEKKVGCQ-ZDUSSCGKSA-N 1 0 238.400 3.592 20 0 BHADRO CC[C@H]([NH2+]Cc1ccns1)c1ccc(C)cc1 ZINC000404449676 351459147 /nfs/dbraw/zinc/45/91/47/351459147.db2.gz FTUCAWZWCJNDBG-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccns1)c1ccc(C)cc1 ZINC000404449678 351459204 /nfs/dbraw/zinc/45/92/04/351459204.db2.gz FTUCAWZWCJNDBG-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000404451577 385884914 /nfs/dbraw/zinc/88/49/14/385884914.db2.gz GSQKGHRMUBJRCG-AWEZNQCLSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000404451580 385884792 /nfs/dbraw/zinc/88/47/92/385884792.db2.gz GSQKGHRMUBJRCG-CQSZACIVSA-N 1 0 246.379 3.630 20 0 BHADRO CC(C)c1ccc(C[NH2+]Cc2ccns2)cc1 ZINC000404454197 385885029 /nfs/dbraw/zinc/88/50/29/385885029.db2.gz IHQLVWVVFXJYAE-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)ns1)c1ccccc1 ZINC000404457626 385003993 /nfs/dbraw/zinc/00/39/93/385003993.db2.gz XHZHCOCNELIODJ-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)ns1)c1ccccc1 ZINC000404457627 385003319 /nfs/dbraw/zinc/00/33/19/385003319.db2.gz XHZHCOCNELIODJ-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccns1 ZINC000404457880 351460725 /nfs/dbraw/zinc/46/07/25/351460725.db2.gz QRMIWTRQPIQDNJ-LLVKDONJSA-N 1 0 226.389 3.592 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccns1 ZINC000404457882 351460674 /nfs/dbraw/zinc/46/06/74/351460674.db2.gz QRMIWTRQPIQDNJ-NSHDSACASA-N 1 0 226.389 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000404468203 351466971 /nfs/dbraw/zinc/46/69/71/351466971.db2.gz OFSVRXZXKZVRLD-AWEZNQCLSA-N 1 0 246.379 3.774 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000404468204 351466947 /nfs/dbraw/zinc/46/69/47/351466947.db2.gz OFSVRXZXKZVRLD-CQSZACIVSA-N 1 0 246.379 3.774 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]Cc2ccns2)cc1 ZINC000404473105 351472208 /nfs/dbraw/zinc/47/22/08/351472208.db2.gz STLNDESZXKWYCQ-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000404811199 369437242 /nfs/dbraw/zinc/43/72/42/369437242.db2.gz GRWXMLHKEDFFBM-UHFFFAOYSA-N 1 0 247.313 3.831 20 0 BHADRO Cc1cccnc1CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000404868107 229430195 /nfs/dbraw/zinc/43/01/95/229430195.db2.gz DFNJPLJVXMMIHV-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccnc1CC[NH2+][C@H](C)CCC(C)(C)C ZINC000404868109 388438852 /nfs/dbraw/zinc/43/88/52/388438852.db2.gz DFNJPLJVXMMIHV-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1ncccc1C ZINC000404885489 388440254 /nfs/dbraw/zinc/44/02/54/388440254.db2.gz SSGGHXUHZOYWQP-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO Cc1cccnc1CC[NH2+][C@@H](C)CCCC(C)C ZINC000404910188 388441872 /nfs/dbraw/zinc/44/18/72/388441872.db2.gz NFLIABADKOGNTH-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccnc1CC[NH2+][C@H](C)CCCC(C)C ZINC000404910189 388441686 /nfs/dbraw/zinc/44/16/86/388441686.db2.gz NFLIABADKOGNTH-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ncccc1C ZINC000404990229 388448962 /nfs/dbraw/zinc/44/89/62/388448962.db2.gz GBPZXSPNSKACBG-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ncccc1C ZINC000404990236 529337276 /nfs/dbraw/zinc/33/72/76/529337276.db2.gz GBPZXSPNSKACBG-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ncccc1C ZINC000404990244 529335046 /nfs/dbraw/zinc/33/50/46/529335046.db2.gz GBPZXSPNSKACBG-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ncccc1C ZINC000404990252 529683501 /nfs/dbraw/zinc/68/35/01/529683501.db2.gz GBPZXSPNSKACBG-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CC(C)(CC[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000406066324 384626975 /nfs/dbraw/zinc/62/69/75/384626975.db2.gz OUHRYGCTPSOJDZ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C2CC2)cc1 ZINC000408510025 323120450 /nfs/dbraw/zinc/12/04/50/323120450.db2.gz BGSRCJITSHKQKL-VVLHAWIVSA-N 1 0 241.378 3.916 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C2CC2)cc1 ZINC000408510026 323047288 /nfs/dbraw/zinc/04/72/88/323047288.db2.gz BGSRCJITSHKQKL-YLFCFFPRSA-N 1 0 241.378 3.916 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C2CC2)cc1 ZINC000408510027 323047162 /nfs/dbraw/zinc/04/71/62/323047162.db2.gz BGSRCJITSHKQKL-YVSFHVDLSA-N 1 0 241.378 3.916 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510052 323047213 /nfs/dbraw/zinc/04/72/13/323047213.db2.gz BZMQIWBXYHJLJC-LLLHUVSDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510053 323120449 /nfs/dbraw/zinc/12/04/49/323120449.db2.gz BZMQIWBXYHJLJC-XBVQOTNRSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000408510054 323120581 /nfs/dbraw/zinc/12/05/81/323120581.db2.gz BZMQIWBXYHJLJC-XLNGHYISSA-N 1 0 243.394 3.704 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510087 323047158 /nfs/dbraw/zinc/04/71/58/323047158.db2.gz DDCCLXNQPRZXJV-JMGFVUJMSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510088 323120484 /nfs/dbraw/zinc/12/04/84/323120484.db2.gz DDCCLXNQPRZXJV-YUDUHTQSSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000408510092 323047264 /nfs/dbraw/zinc/04/72/64/323047264.db2.gz DFPZIASTISVFIK-BQPHKTIFSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000408510093 323047241 /nfs/dbraw/zinc/04/72/41/323047241.db2.gz DFPZIASTISVFIK-DZGBDDFRSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000408510094 323047156 /nfs/dbraw/zinc/04/71/56/323047156.db2.gz DFPZIASTISVFIK-FATJJJSSSA-N 1 0 249.423 3.766 20 0 BHADRO Clc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510100 343758808 /nfs/dbraw/zinc/75/88/08/343758808.db2.gz DPVQIVFXXNXMIS-CFVMTHIKSA-N 1 0 249.785 3.661 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510156 487546834 /nfs/dbraw/zinc/54/68/34/487546834.db2.gz HAXMLIDLCZNKMO-CLWVCHIJSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510157 487546941 /nfs/dbraw/zinc/54/69/41/487546941.db2.gz HAXMLIDLCZNKMO-UGQVUOCMSA-N 1 0 229.367 3.834 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000408510171 487546556 /nfs/dbraw/zinc/54/65/56/487546556.db2.gz HLGZECGFBCYWBS-IMJJTQAJSA-N 1 0 243.394 3.742 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510309 323047120 /nfs/dbraw/zinc/04/71/20/323047120.db2.gz LFBWVTYYAKTTHY-CFVMTHIKSA-N 1 0 247.407 3.557 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000408510425 323047154 /nfs/dbraw/zinc/04/71/54/323047154.db2.gz OSKGUMSVPNWLAU-YUDUHTQSSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510516 323047046 /nfs/dbraw/zinc/04/70/46/323047046.db2.gz 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487547522 /nfs/dbraw/zinc/54/75/22/487547522.db2.gz XFPFLJDCOMXPRP-ZJIFWQFVSA-N 1 0 229.367 3.916 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000408510781 487547114 /nfs/dbraw/zinc/54/71/14/487547114.db2.gz DDVWUEYZESIWJQ-HNKHHVNMSA-N 1 0 229.367 3.834 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1sccc1C ZINC000409444275 191010091 /nfs/dbraw/zinc/01/00/91/191010091.db2.gz QUZBAWYOLBANLB-JTQLQIEISA-N 1 0 211.374 3.534 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1sccc1C ZINC000409444276 191010781 /nfs/dbraw/zinc/01/07/81/191010781.db2.gz QUZBAWYOLBANLB-SNVBAGLBSA-N 1 0 211.374 3.534 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cccs1 ZINC000409444281 191010056 /nfs/dbraw/zinc/01/00/56/191010056.db2.gz RZWVLACDVKXJEU-LLVKDONJSA-N 1 0 211.374 3.616 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cccs1 ZINC000409444282 191010245 /nfs/dbraw/zinc/01/02/45/191010245.db2.gz RZWVLACDVKXJEU-NSHDSACASA-N 1 0 211.374 3.616 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1cccs1 ZINC000409444284 385078986 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BBUYKVDWNDTMOO-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO C[N@H+](Cc1ccsc1)C1CCCCCC1 ZINC000409444336 191009875 /nfs/dbraw/zinc/00/98/75/191009875.db2.gz HROVUQQWVMEYNN-UHFFFAOYSA-N 1 0 223.385 3.903 20 0 BHADRO C[N@H+](Cc1cccs1)C1CCCCCC1 ZINC000409444339 191010132 /nfs/dbraw/zinc/01/01/32/191010132.db2.gz PDHZOABFTYTVFV-UHFFFAOYSA-N 1 0 223.385 3.903 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccco1 ZINC000409444344 191010530 /nfs/dbraw/zinc/01/05/30/191010530.db2.gz QYYOEAMMNGJAFE-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO CCC(CC)C[NH+](CC1CC1)CC1CC1 ZINC000409444348 191009765 /nfs/dbraw/zinc/00/97/65/191009765.db2.gz UESZAHCPIVPNEU-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO C[N@H+](CC1CCCC1)C1CCCCCC1 ZINC000409444349 191010268 /nfs/dbraw/zinc/01/02/68/191010268.db2.gz VKWRDWWWTLSWHZ-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CCC(CC)C[N@H+](C)CCc1cccs1 ZINC000409444350 191010213 /nfs/dbraw/zinc/01/02/13/191010213.db2.gz ZJDFCWSAXDAEHD-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO CC[C@@H](C)C[N@H+](Cc1cccs1)C1CC1 ZINC000409444351 191010446 /nfs/dbraw/zinc/01/04/46/191010446.db2.gz APSILCIWDKTGEL-LLVKDONJSA-N 1 0 223.385 3.759 20 0 BHADRO CC[C@H](C)C[N@H+](Cc1cccs1)C1CC1 ZINC000409444352 191010761 /nfs/dbraw/zinc/01/07/61/191010761.db2.gz APSILCIWDKTGEL-NSHDSACASA-N 1 0 223.385 3.759 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000409444353 191010362 /nfs/dbraw/zinc/01/03/62/191010362.db2.gz BJLNGZVXHPGKAN-NEPJUHHUSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000409444354 191009599 /nfs/dbraw/zinc/00/95/99/191009599.db2.gz BJLNGZVXHPGKAN-NWDGAFQWSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000409444355 191010497 /nfs/dbraw/zinc/01/04/97/191010497.db2.gz BJLNGZVXHPGKAN-RYUDHWBXSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000409444356 191010035 /nfs/dbraw/zinc/01/00/35/191010035.db2.gz BJLNGZVXHPGKAN-VXGBXAGGSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCc1cccs1 ZINC000409444357 191009749 /nfs/dbraw/zinc/00/97/49/191009749.db2.gz GVSPKHHLZFAPMZ-GFCCVEGCSA-N 1 0 225.401 3.659 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCc1cccs1 ZINC000409444358 191010194 /nfs/dbraw/zinc/01/01/94/191010194.db2.gz GVSPKHHLZFAPMZ-LBPRGKRZSA-N 1 0 225.401 3.659 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000409444359 191009960 /nfs/dbraw/zinc/00/99/60/191009960.db2.gz JJUOCGMDSAQSRC-AAEUAGOBSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000409444360 191009955 /nfs/dbraw/zinc/00/99/55/191009955.db2.gz JJUOCGMDSAQSRC-DGCLKSJQSA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000409444361 191010681 /nfs/dbraw/zinc/01/06/81/191010681.db2.gz JJUOCGMDSAQSRC-WCQYABFASA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000409444362 191010375 /nfs/dbraw/zinc/01/03/75/191010375.db2.gz JJUOCGMDSAQSRC-YPMHNXCESA-N 1 0 223.385 3.931 20 0 BHADRO CC[C@@H](C)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000409444365 191010061 /nfs/dbraw/zinc/01/00/61/191010061.db2.gz LCTPPPUEYFBYPY-NEPJUHHUSA-N 1 0 203.329 3.609 20 0 BHADRO CC[C@H](C)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000409444366 191010383 /nfs/dbraw/zinc/01/03/83/191010383.db2.gz LCTPPPUEYFBYPY-NWDGAFQWSA-N 1 0 203.329 3.609 20 0 BHADRO CC[C@H](C)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000409444367 191010219 /nfs/dbraw/zinc/01/02/19/191010219.db2.gz LCTPPPUEYFBYPY-RYUDHWBXSA-N 1 0 203.329 3.609 20 0 BHADRO CC[C@@H](C)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000409444368 191010605 /nfs/dbraw/zinc/01/06/05/191010605.db2.gz LCTPPPUEYFBYPY-VXGBXAGGSA-N 1 0 203.329 3.609 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000409444369 191010317 /nfs/dbraw/zinc/01/03/17/191010317.db2.gz SEBKHLFAXIIRSM-GHMZBOCLSA-N 1 0 223.385 3.713 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000409444370 191009618 /nfs/dbraw/zinc/00/96/18/191009618.db2.gz SEBKHLFAXIIRSM-MNOVXSKESA-N 1 0 223.385 3.713 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000409444371 191010226 /nfs/dbraw/zinc/01/02/26/191010226.db2.gz SEBKHLFAXIIRSM-QWRGUYRKSA-N 1 0 223.385 3.713 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000409444372 191010428 /nfs/dbraw/zinc/01/04/28/191010428.db2.gz SEBKHLFAXIIRSM-WDEREUQCSA-N 1 0 223.385 3.713 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC000409444379 191009782 /nfs/dbraw/zinc/00/97/82/191009782.db2.gz VBEQDMOREQPWJS-FRRDWIJNSA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC000409444380 191009614 /nfs/dbraw/zinc/00/96/14/191009614.db2.gz VBEQDMOREQPWJS-JHJVBQTASA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000409444381 191010716 /nfs/dbraw/zinc/01/07/16/191010716.db2.gz VBEQDMOREQPWJS-RWMBFGLXSA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000409444382 191009850 /nfs/dbraw/zinc/00/98/50/191009850.db2.gz VBEQDMOREQPWJS-YNEHKIRRSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1(C)CCC1 ZINC000409444394 191010114 /nfs/dbraw/zinc/01/01/14/191010114.db2.gz LIPNRBYTXPSAKU-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1(C)CCC1 ZINC000409444395 191010230 /nfs/dbraw/zinc/01/02/30/191010230.db2.gz LIPNRBYTXPSAKU-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000409444400 191010155 /nfs/dbraw/zinc/01/01/55/191010155.db2.gz FXVZFASBZMIAEY-GFCCVEGCSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000409444401 191010356 /nfs/dbraw/zinc/01/03/56/191010356.db2.gz FXVZFASBZMIAEY-LBPRGKRZSA-N 1 0 209.377 3.900 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2(C)CCC2)C1 ZINC000409444404 191009529 /nfs/dbraw/zinc/00/95/29/191009529.db2.gz SYKQMCXTDIHZJT-CHWSQXEVSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2(C)CCC2)C1 ZINC000409444405 191009969 /nfs/dbraw/zinc/00/99/69/191009969.db2.gz SYKQMCXTDIHZJT-OLZOCXBDSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2(C)CCC2)C1 ZINC000409444406 191009667 /nfs/dbraw/zinc/00/96/67/191009667.db2.gz SYKQMCXTDIHZJT-QWHCGFSZSA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2(C)CCC2)C1 ZINC000409444407 191010458 /nfs/dbraw/zinc/01/04/58/191010458.db2.gz SYKQMCXTDIHZJT-STQMWFEESA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)CC[N@H+](CCSC(C)C)C1CC1 ZINC000409444449 191010583 /nfs/dbraw/zinc/01/05/83/191010583.db2.gz QPZPBNUAIDFHPZ-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C(C)C)C1CCCC1 ZINC000409444450 191009546 /nfs/dbraw/zinc/00/95/46/191009546.db2.gz RTLSQJQHTITJBY-UHFFFAOYSA-N 1 0 229.433 3.781 20 0 BHADRO Cc1ccc(C2CC([NH2+]C(C)(C)C)C2)cc1 ZINC000409444463 191009881 /nfs/dbraw/zinc/00/98/81/191009881.db2.gz CQCOIVOBNPTYDK-UHFFFAOYSA-N 1 0 217.356 3.629 20 0 BHADRO CC(C)(C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000409444464 191010557 /nfs/dbraw/zinc/01/05/57/191010557.db2.gz PLVFIZUSKWFAET-UHFFFAOYSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)(C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000409444465 191010657 /nfs/dbraw/zinc/01/06/57/191010657.db2.gz YPPRWCWOVVIODQ-UHFFFAOYSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)[N@H+](Cc1ccco1)C1CCCCC1 ZINC000409444471 191012276 /nfs/dbraw/zinc/01/22/76/191012276.db2.gz IQMBZBIJIXEPQF-UHFFFAOYSA-N 1 0 221.344 3.823 20 0 BHADRO CC(C)C[N@H+](CCC(F)(F)F)C1CCCC1 ZINC000409444473 191011453 /nfs/dbraw/zinc/01/14/53/191011453.db2.gz KLIVVTWTFSQTMD-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000409444491 191012515 /nfs/dbraw/zinc/01/25/15/191012515.db2.gz AAEROVUFPNMBQI-UHFFFAOYSA-N 1 0 242.794 3.547 20 0 BHADRO CCC(CC)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000409444499 191011696 /nfs/dbraw/zinc/01/16/96/191011696.db2.gz LFDPIYHXRNYAFP-UHFFFAOYSA-N 1 0 235.293 3.617 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCC2)o1 ZINC000409444505 191011092 /nfs/dbraw/zinc/01/10/92/191011092.db2.gz YOTXTRVESWPFGT-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000409444506 191011876 /nfs/dbraw/zinc/01/18/76/191011876.db2.gz ZHPGIYGAMKHWNL-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000409444507 191011813 /nfs/dbraw/zinc/01/18/13/191011813.db2.gz ZHPGIYGAMKHWNL-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000409444512 191010999 /nfs/dbraw/zinc/01/09/99/191010999.db2.gz RCTSRPJUEVKUCH-CYBMUJFWSA-N 1 0 235.396 3.511 20 0 BHADRO CC[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000409444513 191011140 /nfs/dbraw/zinc/01/11/40/191011140.db2.gz RCTSRPJUEVKUCH-ZDUSSCGKSA-N 1 0 235.396 3.511 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000409444516 191011767 /nfs/dbraw/zinc/01/17/67/191011767.db2.gz ARCKMNJEQANTQA-GUTXKFCHSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000409444517 191011047 /nfs/dbraw/zinc/01/10/47/191011047.db2.gz ARCKMNJEQANTQA-GZBFAFLISA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000409444518 191011637 /nfs/dbraw/zinc/01/16/37/191011637.db2.gz ARCKMNJEQANTQA-KCQAQPDRSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000409444519 191012149 /nfs/dbraw/zinc/01/21/49/191012149.db2.gz ARCKMNJEQANTQA-YDHLFZDLSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000409444520 191010947 /nfs/dbraw/zinc/01/09/47/191010947.db2.gz BKXYHBNVGNSARD-NEPJUHHUSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000409444521 191011260 /nfs/dbraw/zinc/01/12/60/191011260.db2.gz BKXYHBNVGNSARD-NWDGAFQWSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000409444522 191011537 /nfs/dbraw/zinc/01/15/37/191011537.db2.gz BKXYHBNVGNSARD-RYUDHWBXSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000409444523 191012123 /nfs/dbraw/zinc/01/21/23/191012123.db2.gz BKXYHBNVGNSARD-VXGBXAGGSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000409444524 191011865 /nfs/dbraw/zinc/01/18/65/191011865.db2.gz FAQIKWCZJNWNLK-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000409444525 191011975 /nfs/dbraw/zinc/01/19/75/191011975.db2.gz FAQIKWCZJNWNLK-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000409444526 191012037 /nfs/dbraw/zinc/01/20/37/191012037.db2.gz FAQIKWCZJNWNLK-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000409444527 191011070 /nfs/dbraw/zinc/01/10/70/191011070.db2.gz FAQIKWCZJNWNLK-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000409444534 191011642 /nfs/dbraw/zinc/01/16/42/191011642.db2.gz HZZYBCTVOUZXDA-DZGCQCFKSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000409444535 191011127 /nfs/dbraw/zinc/01/11/27/191011127.db2.gz HZZYBCTVOUZXDA-HIFRSBDPSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000409444536 191010966 /nfs/dbraw/zinc/01/09/66/191010966.db2.gz HZZYBCTVOUZXDA-UKRRQHHQSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000409444537 191011307 /nfs/dbraw/zinc/01/13/07/191011307.db2.gz HZZYBCTVOUZXDA-ZFWWWQNUSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H](C)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000409444540 191011176 /nfs/dbraw/zinc/01/11/76/191011176.db2.gz MFYVEUFIMOTQMB-NEPJUHHUSA-N 1 0 221.344 3.851 20 0 BHADRO CC[C@H](C)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000409444541 191011076 /nfs/dbraw/zinc/01/10/76/191011076.db2.gz MFYVEUFIMOTQMB-NWDGAFQWSA-N 1 0 221.344 3.851 20 0 BHADRO CC[C@H](C)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000409444542 191011931 /nfs/dbraw/zinc/01/19/31/191011931.db2.gz MFYVEUFIMOTQMB-RYUDHWBXSA-N 1 0 221.344 3.851 20 0 BHADRO CC[C@@H](C)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000409444543 191012395 /nfs/dbraw/zinc/01/23/95/191012395.db2.gz MFYVEUFIMOTQMB-VXGBXAGGSA-N 1 0 221.344 3.851 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCc1ccccc1 ZINC000409444544 191011218 /nfs/dbraw/zinc/01/12/18/191011218.db2.gz NBJAPWBULMLMLX-AWEZNQCLSA-N 1 0 219.372 3.597 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCc1ccccc1 ZINC000409444545 191011080 /nfs/dbraw/zinc/01/10/80/191011080.db2.gz NBJAPWBULMLMLX-CQSZACIVSA-N 1 0 219.372 3.597 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000409444548 191011022 /nfs/dbraw/zinc/01/10/22/191011022.db2.gz NPMCBHDHSRJURM-DOMZBBRYSA-N 1 0 217.356 3.652 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000409444549 191011948 /nfs/dbraw/zinc/01/19/48/191011948.db2.gz NPMCBHDHSRJURM-IUODEOHRSA-N 1 0 217.356 3.652 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000409444550 191012129 /nfs/dbraw/zinc/01/21/29/191012129.db2.gz NPMCBHDHSRJURM-SWLSCSKDSA-N 1 0 217.356 3.652 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000409444551 191011871 /nfs/dbraw/zinc/01/18/71/191011871.db2.gz NPMCBHDHSRJURM-WFASDCNBSA-N 1 0 217.356 3.652 20 0 BHADRO 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BHADRO CC[C@H](C)C[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000409444576 191012081 /nfs/dbraw/zinc/01/20/81/191012081.db2.gz YBEPSJYUJNGENM-NWANDNLSSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000409444577 191011434 /nfs/dbraw/zinc/01/14/34/191011434.db2.gz YBEPSJYUJNGENM-QEJZJMRPSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@H+](C)CCC1CC1)c1ccccc1 ZINC000409444616 191013785 /nfs/dbraw/zinc/01/37/85/191013785.db2.gz FOAPPQRNJJSTCJ-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[N@H+](C)CCC1CC1)c1ccccc1 ZINC000409444617 191012831 /nfs/dbraw/zinc/01/28/31/191012831.db2.gz FOAPPQRNJJSTCJ-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO CC(C)SCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000409444657 191013448 /nfs/dbraw/zinc/01/34/48/191013448.db2.gz BLYDXGWIYFPCCJ-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000409444658 191014052 /nfs/dbraw/zinc/01/40/52/191014052.db2.gz BUOQVOVVMUAQNH-KBPBESRZSA-N 1 0 241.444 3.783 20 0 BHADRO 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BHADRO CC[C@@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000409444667 191013621 /nfs/dbraw/zinc/01/36/21/191013621.db2.gz CKEROALJRBODDW-ZJUUUORDSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000409444673 191012615 /nfs/dbraw/zinc/01/26/15/191012615.db2.gz OQWFJJVBPILAKC-CYBMUJFWSA-N 1 0 237.412 3.821 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000409444674 191014065 /nfs/dbraw/zinc/01/40/65/191014065.db2.gz OQWFJJVBPILAKC-ZDUSSCGKSA-N 1 0 237.412 3.821 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C1CCCCCC1 ZINC000409444685 191012988 /nfs/dbraw/zinc/01/29/88/191012988.db2.gz JZTWXUIXKDGASM-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO C[N@H+](CCc1ccccc1F)C1CCCCC1 ZINC000409444849 191011722 /nfs/dbraw/zinc/01/17/22/191011722.db2.gz KSXKDFCXWFPNBO-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000409444869 191012007 /nfs/dbraw/zinc/01/20/07/191012007.db2.gz BFIITIHFDYTOGB-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H](C)c1cccnc1 ZINC000409444874 191011283 /nfs/dbraw/zinc/01/12/83/191011283.db2.gz BVRPJKGCBGUUFT-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H](C)c1cccnc1 ZINC000409444875 191011150 /nfs/dbraw/zinc/01/11/50/191011150.db2.gz BVRPJKGCBGUUFT-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000409444880 191011446 /nfs/dbraw/zinc/01/14/46/191011446.db2.gz DNMSKUJCQJHNAZ-GFCCVEGCSA-N 1 0 235.371 3.821 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000409444881 191012361 /nfs/dbraw/zinc/01/23/61/191012361.db2.gz DNMSKUJCQJHNAZ-LBPRGKRZSA-N 1 0 235.371 3.821 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1cccc(OC)c1 ZINC000409444882 191011328 /nfs/dbraw/zinc/01/13/28/191011328.db2.gz GCFWHKZKHGXIPS-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCC(CC)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000409444883 191011212 /nfs/dbraw/zinc/01/12/12/191011212.db2.gz GEGUZKIREFFHOL-HNNXBMFYSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000409444884 191011134 /nfs/dbraw/zinc/01/11/34/191011134.db2.gz GEGUZKIREFFHOL-OAHLLOKOSA-N 1 0 234.387 3.901 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1ccccc1OC ZINC000409444888 191010905 /nfs/dbraw/zinc/01/09/05/191010905.db2.gz JQWURGJKIFVGNQ-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCCCOC1CC[NH+](CC(CC)CC)CC1 ZINC000409444889 191012496 /nfs/dbraw/zinc/01/24/96/191012496.db2.gz PXXIBXQRWOVQMN-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000409444900 191012133 /nfs/dbraw/zinc/01/21/33/191012133.db2.gz AJSBRABBQYTJIF-UHFFFAOYSA-N 1 0 238.375 3.593 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000409444913 191014712 /nfs/dbraw/zinc/01/47/12/191014712.db2.gz AYUVVFVDZXTYPE-CHWSQXEVSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000409444914 191014423 /nfs/dbraw/zinc/01/44/23/191014423.db2.gz AYUVVFVDZXTYPE-OLZOCXBDSA-N 1 0 235.371 3.734 20 0 BHADRO 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BHADRO CCCC[N@H+](C[C@H](C)O)[C@@H](CC)c1ccccc1 ZINC000410375668 191029583 /nfs/dbraw/zinc/02/95/83/191029583.db2.gz YWBSLWXOKZSNBT-HOCLYGCPSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[N@H+](C[C@@H](C)O)[C@@H](CC)c1ccccc1 ZINC000410375669 191029614 /nfs/dbraw/zinc/02/96/14/191029614.db2.gz YWBSLWXOKZSNBT-ZBFHGGJFSA-N 1 0 249.398 3.621 20 0 BHADRO CC(C)OCCC[N@H+](C)CCCC(C)(C)C ZINC000410382833 191029301 /nfs/dbraw/zinc/02/93/01/191029301.db2.gz NGNNJEJYIWHXOG-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CO[C@H](C)C[N@H+](CCCC(C)(C)C)C(C)C ZINC000410384067 191028837 /nfs/dbraw/zinc/02/88/37/191028837.db2.gz RHOBRPXOADCJBB-CYBMUJFWSA-N 1 0 229.408 3.558 20 0 BHADRO CO[C@@H](C)C[N@H+](CCCC(C)(C)C)C(C)C ZINC000410384068 191029903 /nfs/dbraw/zinc/02/99/03/191029903.db2.gz RHOBRPXOADCJBB-ZDUSSCGKSA-N 1 0 229.408 3.558 20 0 BHADRO COC1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC000410388215 191028599 /nfs/dbraw/zinc/02/85/99/191028599.db2.gz YBYRCKKJJHYQER-NFOMZHRRSA-N 1 0 241.419 3.558 20 0 BHADRO COC1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC000410388216 191029778 /nfs/dbraw/zinc/02/97/78/191029778.db2.gz YBYRCKKJJHYQER-WLYUNCDWSA-N 1 0 241.419 3.558 20 0 BHADRO C[N@H+](CCCC(C)(C)C)CCC1CCOCC1 ZINC000410404511 191028802 /nfs/dbraw/zinc/02/88/02/191028802.db2.gz ALUBHMQEFPJLKE-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)CO[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410411317 191029893 /nfs/dbraw/zinc/02/98/93/191029893.db2.gz NJMBTCMTVNWXIG-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CO[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410411318 191029038 /nfs/dbraw/zinc/02/90/38/191029038.db2.gz NJMBTCMTVNWXIG-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)(C)CCC[NH+]1CCC(C(F)F)CC1 ZINC000410412557 191029910 /nfs/dbraw/zinc/02/99/10/191029910.db2.gz CXJIARVRPDTMGF-UHFFFAOYSA-N 1 0 233.346 3.790 20 0 BHADRO CC(C)C[C@@H](C)C[NH+]1CCC(C(F)F)CC1 ZINC000410413402 191028710 /nfs/dbraw/zinc/02/87/10/191028710.db2.gz KPWIOTLGBSPAKE-LLVKDONJSA-N 1 0 233.346 3.646 20 0 BHADRO CC(C)C[C@H](C)C[NH+]1CCC(C(F)F)CC1 ZINC000410413403 191028574 /nfs/dbraw/zinc/02/85/74/191028574.db2.gz KPWIOTLGBSPAKE-NSHDSACASA-N 1 0 233.346 3.646 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC000410413448 191028697 /nfs/dbraw/zinc/02/86/97/191028697.db2.gz KXJZLQAZDVQQBO-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC000410413449 191029046 /nfs/dbraw/zinc/02/90/46/191029046.db2.gz KXJZLQAZDVQQBO-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000410418288 191029460 /nfs/dbraw/zinc/02/94/60/191029460.db2.gz NFYYQDOTIFGEMG-GDBMZVCRSA-N 1 0 248.414 3.844 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000410418290 191029316 /nfs/dbraw/zinc/02/93/16/191029316.db2.gz NFYYQDOTIFGEMG-GOEBONIOSA-N 1 0 248.414 3.844 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000410418292 191028505 /nfs/dbraw/zinc/02/85/05/191028505.db2.gz NFYYQDOTIFGEMG-HOCLYGCPSA-N 1 0 248.414 3.844 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000410418293 191029750 /nfs/dbraw/zinc/02/97/50/191029750.db2.gz NFYYQDOTIFGEMG-ZBFHGGJFSA-N 1 0 248.414 3.844 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000410422994 191030730 /nfs/dbraw/zinc/03/07/30/191030730.db2.gz QRAVBBICNWVMQX-DZGCQCFKSA-N 1 0 234.387 3.834 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000410423005 191029010 /nfs/dbraw/zinc/02/90/10/191029010.db2.gz QRAVBBICNWVMQX-HIFRSBDPSA-N 1 0 234.387 3.834 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000410423008 191029468 /nfs/dbraw/zinc/02/94/68/191029468.db2.gz QRAVBBICNWVMQX-UKRRQHHQSA-N 1 0 234.387 3.834 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000410423010 191029520 /nfs/dbraw/zinc/02/95/20/191029520.db2.gz QRAVBBICNWVMQX-ZFWWWQNUSA-N 1 0 234.387 3.834 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000410424875 191029652 /nfs/dbraw/zinc/02/96/52/191029652.db2.gz YMAMSXYLWFCDEH-AWEZNQCLSA-N 1 0 234.387 3.978 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000410424880 191029454 /nfs/dbraw/zinc/02/94/54/191029454.db2.gz YMAMSXYLWFCDEH-CQSZACIVSA-N 1 0 234.387 3.978 20 0 BHADRO CCCC[N@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411122507 191159891 /nfs/dbraw/zinc/15/98/91/191159891.db2.gz AFLORZOSQSCTJD-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO CCCC[NH+](CCCC)CCc1cncs1 ZINC000411128660 191161847 /nfs/dbraw/zinc/16/18/47/191161847.db2.gz AVDKHFSARKCSJM-UHFFFAOYSA-N 1 0 240.416 3.588 20 0 BHADRO Cc1ccc2ncc(C[NH+]3CCCCC3)cc2c1 ZINC000411159898 191163233 /nfs/dbraw/zinc/16/32/33/191163233.db2.gz SDNMCXKFGOLZNI-UHFFFAOYSA-N 1 0 240.350 3.529 20 0 BHADRO CC[N@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC000411166276 191165821 /nfs/dbraw/zinc/16/58/21/191165821.db2.gz JZIIYFRGBGOPOB-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO CCCCC[N@H+](CCc1cncs1)C(C)C ZINC000411172245 191166027 /nfs/dbraw/zinc/16/60/27/191166027.db2.gz ZKBLHJKUGFTGHC-UHFFFAOYSA-N 1 0 240.416 3.586 20 0 BHADRO CC[N@H+](Cc1cnc2ccc(C)cc2c1)C(C)C ZINC000411178448 191167538 /nfs/dbraw/zinc/16/75/38/191167538.db2.gz MDXQHKBXJZJYTO-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO Cc1ccc2ncc(C[N@@H+](C)CC(C)C)cc2c1 ZINC000411191239 191167738 /nfs/dbraw/zinc/16/77/38/191167738.db2.gz JHMIOIPXTYLZNM-UHFFFAOYSA-N 1 0 242.366 3.631 20 0 BHADRO CCC[N@H+](CC)Cc1cnc2ccc(C)cc2c1 ZINC000411195332 191167647 /nfs/dbraw/zinc/16/76/47/191167647.db2.gz RYOXKPAJONZOMK-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO Cc1ccc2ncc(C[N@@H+](C)C3CCC3)cc2c1 ZINC000411294553 191175325 /nfs/dbraw/zinc/17/53/25/191175325.db2.gz MZKOIRWUSJLGBM-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C)cc2c1 ZINC000411298324 191176418 /nfs/dbraw/zinc/17/64/18/191176418.db2.gz NOEZGQKCAXRDNI-CYBMUJFWSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C)cc2c1 ZINC000411298326 191174936 /nfs/dbraw/zinc/17/49/36/191174936.db2.gz NOEZGQKCAXRDNI-ZDUSSCGKSA-N 1 0 240.350 3.528 20 0 BHADRO Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CCC3(CCC3)C2)c1 ZINC000411320991 191177017 /nfs/dbraw/zinc/17/70/17/191177017.db2.gz TVIPVXAVDDBWQP-GJZGRUSLSA-N 1 0 245.341 3.558 20 0 BHADRO Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCC3(CCC3)C2)c1 ZINC000411320994 191177133 /nfs/dbraw/zinc/17/71/33/191177133.db2.gz TVIPVXAVDDBWQP-LSDHHAIUSA-N 1 0 245.341 3.558 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411368737 191180144 /nfs/dbraw/zinc/18/01/44/191180144.db2.gz WCUSEAHIGGCGKU-CYBMUJFWSA-N 1 0 242.366 3.774 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411368740 191180396 /nfs/dbraw/zinc/18/03/96/191180396.db2.gz WCUSEAHIGGCGKU-ZDUSSCGKSA-N 1 0 242.366 3.774 20 0 BHADRO CCC(CC)[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000411454052 191187542 /nfs/dbraw/zinc/18/75/42/191187542.db2.gz RIJHDPIVXLXYOR-BBRMVZONSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000411454058 191187522 /nfs/dbraw/zinc/18/75/22/191187522.db2.gz RIJHDPIVXLXYOR-CJNGLKHVSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000411454060 191187957 /nfs/dbraw/zinc/18/79/57/191187957.db2.gz RIJHDPIVXLXYOR-CZUORRHYSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000411454063 191187189 /nfs/dbraw/zinc/18/71/89/191187189.db2.gz RIJHDPIVXLXYOR-XJKSGUPXSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000411454842 191187248 /nfs/dbraw/zinc/18/72/48/191187248.db2.gz SCTKVVVNELEOJH-INIZCTEOSA-N 1 0 249.398 3.526 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000411454843 191188141 /nfs/dbraw/zinc/18/81/41/191188141.db2.gz SCTKVVVNELEOJH-MRXNPFEDSA-N 1 0 249.398 3.526 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C(C)(C)C)nc1 ZINC000411486078 191188649 /nfs/dbraw/zinc/18/86/49/191188649.db2.gz HEWBWOBNBPCPGE-AWEZNQCLSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C(C)(C)C)nc1 ZINC000411486079 191188740 /nfs/dbraw/zinc/18/87/40/191188740.db2.gz HEWBWOBNBPCPGE-CQSZACIVSA-N 1 0 234.387 3.558 20 0 BHADRO CCCC[C@H]([NH2+]CCc1ccccn1)C1CCC1 ZINC000411517441 191191400 /nfs/dbraw/zinc/19/14/00/191191400.db2.gz MIBVSKFVPUJDCU-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@@H]([NH2+]CCc1ccccn1)C1CCC1 ZINC000411517442 191191979 /nfs/dbraw/zinc/19/19/79/191191979.db2.gz MIBVSKFVPUJDCU-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CCCC3(CC3)C2)c1 ZINC000411547028 191192258 /nfs/dbraw/zinc/19/22/58/191192258.db2.gz BUOWPHKGCPGOPI-GJZGRUSLSA-N 1 0 245.341 3.558 20 0 BHADRO Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCCC3(CC3)C2)c1 ZINC000411547034 191192792 /nfs/dbraw/zinc/19/27/92/191192792.db2.gz BUOWPHKGCPGOPI-LSDHHAIUSA-N 1 0 245.341 3.558 20 0 BHADRO CC[N@H+](CCc1ccccn1)[C@@H]1CCCC[C@H]1C ZINC000411614470 191196790 /nfs/dbraw/zinc/19/67/90/191196790.db2.gz PUOBLDHPAPJPTL-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccccn1)[C@@H]1CCCC[C@@H]1C ZINC000411614475 191196814 /nfs/dbraw/zinc/19/68/14/191196814.db2.gz PUOBLDHPAPJPTL-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccccn1)[C@H]1CCCC[C@@H]1C ZINC000411614477 191197362 /nfs/dbraw/zinc/19/73/62/191197362.db2.gz PUOBLDHPAPJPTL-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCc1ccccn1)[C@H]1CCCC[C@H]1C ZINC000411614479 191196669 /nfs/dbraw/zinc/19/66/69/191196669.db2.gz PUOBLDHPAPJPTL-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411864316 191222065 /nfs/dbraw/zinc/22/20/65/191222065.db2.gz DMFPZHJRFBQNLN-UHFFFAOYSA-N 1 0 247.407 3.548 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868940 191223894 /nfs/dbraw/zinc/22/38/94/191223894.db2.gz MATBNWJNZWGREZ-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CC1(C[N@@H+]2CCSC3(CCC3)CC2)CCC1 ZINC000411874747 191226348 /nfs/dbraw/zinc/22/63/48/191226348.db2.gz IKGJNLPYKDJJQC-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875044 191225624 /nfs/dbraw/zinc/22/56/24/191225624.db2.gz KBRMEINPPDMRMQ-GFCCVEGCSA-N 1 0 227.417 3.537 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875045 191225350 /nfs/dbraw/zinc/22/53/50/191225350.db2.gz KBRMEINPPDMRMQ-LBPRGKRZSA-N 1 0 227.417 3.537 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000411891342 191224111 /nfs/dbraw/zinc/22/41/11/191224111.db2.gz KQBLNKGGYTWWNW-IIAWOOMASA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000411891343 191224306 /nfs/dbraw/zinc/22/43/06/191224306.db2.gz KQBLNKGGYTWWNW-IJEWVQPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000411891344 191224724 /nfs/dbraw/zinc/22/47/24/191224724.db2.gz KQBLNKGGYTWWNW-OFQRWUPVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000411891345 191224653 /nfs/dbraw/zinc/22/46/53/191224653.db2.gz KQBLNKGGYTWWNW-SQWLQELKSA-N 1 0 247.382 3.542 20 0 BHADRO CC(=O)c1ccc2c(c1)CN(CCCC(C)C)C2 ZINC000411946343 191230058 /nfs/dbraw/zinc/23/00/58/191230058.db2.gz KTTYREMOLLWUKN-UHFFFAOYSA-N 1 0 245.366 3.641 20 0 BHADRO CC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)CC(C)C)C2 ZINC000411952793 191232256 /nfs/dbraw/zinc/23/22/56/191232256.db2.gz OILKJWWTRGIESY-GFCCVEGCSA-N 1 0 245.366 3.639 20 0 BHADRO CC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)CC(C)C)C2 ZINC000411952794 191231778 /nfs/dbraw/zinc/23/17/78/191231778.db2.gz OILKJWWTRGIESY-LBPRGKRZSA-N 1 0 245.366 3.639 20 0 BHADRO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC000411953088 191232305 /nfs/dbraw/zinc/23/23/05/191232305.db2.gz VWUNELTTWBTQQH-UHFFFAOYSA-N 1 0 245.366 3.641 20 0 BHADRO FCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411974894 191233463 /nfs/dbraw/zinc/23/34/63/191233463.db2.gz AYLRFVCQZCPMPD-HNNXBMFYSA-N 1 0 247.357 3.616 20 0 BHADRO FCCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411974906 191233316 /nfs/dbraw/zinc/23/33/16/191233316.db2.gz AYLRFVCQZCPMPD-OAHLLOKOSA-N 1 0 247.357 3.616 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@H](C)c1ccccn1 ZINC000412023187 191238837 /nfs/dbraw/zinc/23/88/37/191238837.db2.gz BTCKIUUNBWCPAT-CYBMUJFWSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@@H](C)c1ccccn1 ZINC000412023188 191238199 /nfs/dbraw/zinc/23/81/99/191238199.db2.gz BTCKIUUNBWCPAT-ZDUSSCGKSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](CCSC(C)C)Cc1occc1C ZINC000412027647 191240045 /nfs/dbraw/zinc/24/00/45/191240045.db2.gz QDRQYWHXQAVAQK-UHFFFAOYSA-N 1 0 241.400 3.552 20 0 BHADRO CC[N@H+](CCCCCF)Cc1occc1C ZINC000412029345 191240893 /nfs/dbraw/zinc/24/08/93/191240893.db2.gz UBMPPZKRXCZKDK-UHFFFAOYSA-N 1 0 227.323 3.550 20 0 BHADRO CC[N@H+](CCCc1ccncc1)C1CC(C)(C)C1 ZINC000412029448 191242211 /nfs/dbraw/zinc/24/22/11/191242211.db2.gz CUODQFOERAUPRJ-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@@H]1C=CCCC1 ZINC000412030853 191241088 /nfs/dbraw/zinc/24/10/88/191241088.db2.gz WXDJLMCOCOVNME-CYBMUJFWSA-N 1 0 219.328 3.519 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@H]1C=CCCC1 ZINC000412030857 191242243 /nfs/dbraw/zinc/24/22/43/191242243.db2.gz WXDJLMCOCOVNME-ZDUSSCGKSA-N 1 0 219.328 3.519 20 0 BHADRO C[C@H]1CC(C)(C)C[N@@H+]1CCCCC(F)(F)F ZINC000412030897 191241327 /nfs/dbraw/zinc/24/13/27/191241327.db2.gz AGNIVYTWZCTFFN-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]1CC(C)(C)C[N@@H+]1CCCCC(F)(F)F ZINC000412030906 191240795 /nfs/dbraw/zinc/24/07/95/191240795.db2.gz AGNIVYTWZCTFFN-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO CC[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC(C)(C)C1 ZINC000412034233 191247323 /nfs/dbraw/zinc/24/73/23/191247323.db2.gz JFSDEQWRDQGSRZ-LLVKDONJSA-N 1 0 245.357 3.932 20 0 BHADRO CC[N@H+](C[C@H]1CCC(F)(F)C1)C1CC(C)(C)C1 ZINC000412034234 191247304 /nfs/dbraw/zinc/24/73/04/191247304.db2.gz JFSDEQWRDQGSRZ-NSHDSACASA-N 1 0 245.357 3.932 20 0 BHADRO CC[N@H+](CCCCCF)C1CC(C)(C)C1 ZINC000412034997 191247595 /nfs/dbraw/zinc/24/75/95/191247595.db2.gz KEROETRDDOJYHF-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C2CC(C)(C)C2)nc1 ZINC000412035032 191248391 /nfs/dbraw/zinc/24/83/91/191248391.db2.gz KIVCKYFKENDCEY-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO C[C@@H]1CC(C)(C)C[N@@H+]1CCCCOC(C)(C)C ZINC000412035058 191246672 /nfs/dbraw/zinc/24/66/72/191246672.db2.gz FTPAVLWHWDXQDE-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1CC(C)(C)C[N@@H+]1CCCCOC(C)(C)C ZINC000412035059 191247693 /nfs/dbraw/zinc/24/76/93/191247693.db2.gz FTPAVLWHWDXQDE-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](Cc1ncc(C2CC2)o1)C1CC(C)(C)C1 ZINC000412038477 191246699 /nfs/dbraw/zinc/24/66/99/191246699.db2.gz OXNZWAUSZPBGMH-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC[N@H+](CC1CC(F)(F)C1)C1CC(C)(C)C1 ZINC000412040503 191249611 /nfs/dbraw/zinc/24/96/11/191249611.db2.gz RJCVIGJUIQMTCJ-UHFFFAOYSA-N 1 0 231.330 3.542 20 0 BHADRO CC[N@H+](Cc1ccc(C)nc1C)C1CC(C)(C)C1 ZINC000412040592 385633970 /nfs/dbraw/zinc/63/39/70/385633970.db2.gz RUMMQTIXYIABQJ-UHFFFAOYSA-N 1 0 246.398 3.709 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CC(C)(C)C[C@H]2C)c1 ZINC000412045198 191242940 /nfs/dbraw/zinc/24/29/40/191242940.db2.gz PLUGCZQCAYHBPT-GFCCVEGCSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1 ZINC000412045200 191244156 /nfs/dbraw/zinc/24/41/56/191244156.db2.gz PLUGCZQCAYHBPT-LBPRGKRZSA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000412048588 191244522 /nfs/dbraw/zinc/24/45/22/191244522.db2.gz VECTYRCPRFNFGG-GHMZBOCLSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000412048589 191242592 /nfs/dbraw/zinc/24/25/92/191242592.db2.gz VECTYRCPRFNFGG-MNOVXSKESA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000412048590 191243813 /nfs/dbraw/zinc/24/38/13/191243813.db2.gz VECTYRCPRFNFGG-QWRGUYRKSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000412048591 191243979 /nfs/dbraw/zinc/24/39/79/191243979.db2.gz VECTYRCPRFNFGG-WDEREUQCSA-N 1 0 231.330 3.542 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CC(C)(C)C[C@H]2C)cc1 ZINC000412049762 191244703 /nfs/dbraw/zinc/24/47/03/191244703.db2.gz WXHDEUZAQIEICG-GFCCVEGCSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1 ZINC000412049764 191244866 /nfs/dbraw/zinc/24/48/66/191244866.db2.gz WXHDEUZAQIEICG-LBPRGKRZSA-N 1 0 245.366 3.510 20 0 BHADRO CSCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412990842 191331437 /nfs/dbraw/zinc/33/14/37/191331437.db2.gz IQWMMBFLZKEZKK-UHFFFAOYSA-N 1 0 235.396 3.536 20 0 BHADRO CSCc1cccc(C[NH+]2CCCCC2)c1 ZINC000412990984 191331318 /nfs/dbraw/zinc/33/13/18/191331318.db2.gz JCAYUTUPOBLBQA-UHFFFAOYSA-N 1 0 235.396 3.536 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@H](SC3CCC3)C2)cc1 ZINC000412997849 191333770 /nfs/dbraw/zinc/33/37/70/191333770.db2.gz BHVCEUUVSQVHMX-HNNXBMFYSA-N 1 0 247.407 3.547 20 0 BHADRO c1ccc(C[N@@H+]2CC[C@@H](SC3CCC3)C2)cc1 ZINC000412997852 191334126 /nfs/dbraw/zinc/33/41/26/191334126.db2.gz BHVCEUUVSQVHMX-OAHLLOKOSA-N 1 0 247.407 3.547 20 0 BHADRO CC(C)[N@@H+]1CCCC[C@@H]1CSC1CCC1 ZINC000413001311 191335911 /nfs/dbraw/zinc/33/59/11/191335911.db2.gz LDCLZPHABKEHII-GFCCVEGCSA-N 1 0 227.417 3.535 20 0 BHADRO CC(C)[N@@H+]1CCCC[C@H]1CSC1CCC1 ZINC000413001312 191335892 /nfs/dbraw/zinc/33/58/92/191335892.db2.gz LDCLZPHABKEHII-LBPRGKRZSA-N 1 0 227.417 3.535 20 0 BHADRO Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000414046265 385931394 /nfs/dbraw/zinc/93/13/94/385931394.db2.gz AFOUVWJYKSESDZ-BXUZGUMPSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1cccc([C@H]2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000414046268 191421411 /nfs/dbraw/zinc/42/14/11/191421411.db2.gz AFOUVWJYKSESDZ-FZMZJTMJSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000414046269 191420943 /nfs/dbraw/zinc/42/09/43/191420943.db2.gz AFOUVWJYKSESDZ-RISCZKNCSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1cccc([C@H]2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000414046270 385931118 /nfs/dbraw/zinc/93/11/18/385931118.db2.gz AFOUVWJYKSESDZ-SMDDNHRTSA-N 1 0 235.758 3.728 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1csc(-c2ccccc2)n1 ZINC000414058853 385937446 /nfs/dbraw/zinc/93/74/46/385937446.db2.gz UZCQRDSDXWJPKJ-JTQLQIEISA-N 1 0 244.363 3.623 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1csc(-c2ccccc2)n1 ZINC000414058854 385936198 /nfs/dbraw/zinc/93/61/98/385936198.db2.gz UZCQRDSDXWJPKJ-SNVBAGLBSA-N 1 0 244.363 3.623 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CCCC2)c(C)c1 ZINC000414059508 385935681 /nfs/dbraw/zinc/93/56/81/385935681.db2.gz WIMREBDNSQKOAW-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CCCC2)c(C)c1 ZINC000414059509 191421804 /nfs/dbraw/zinc/42/18/04/191421804.db2.gz WIMREBDNSQKOAW-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)[C@H]1C[C@H]1C ZINC000414061159 385936048 /nfs/dbraw/zinc/93/60/48/385936048.db2.gz KDOZXMUIHWKUAN-IHOMSZDFSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)[C@H]1C[C@H]1C ZINC000414061170 385936608 /nfs/dbraw/zinc/93/66/08/385936608.db2.gz KDOZXMUIHWKUAN-IUCKATPISA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)[C@H]1C[C@H]1C ZINC000414061174 385936800 /nfs/dbraw/zinc/93/68/00/385936800.db2.gz KDOZXMUIHWKUAN-KLTVKPSUSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)[C@H]1C[C@H]1C ZINC000414061177 385937128 /nfs/dbraw/zinc/93/71/28/385937128.db2.gz KDOZXMUIHWKUAN-KOXOONSLSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)[C@H]1C[C@H]1C ZINC000414065621 385942842 /nfs/dbraw/zinc/94/28/42/385942842.db2.gz GDZQCPKJBMHDQN-DHMWGJHJSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)[C@H]1C[C@H]1C ZINC000414065622 385941575 /nfs/dbraw/zinc/94/15/75/385941575.db2.gz GDZQCPKJBMHDQN-PAPYEOQZSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)[C@H]1C[C@H]1C ZINC000414065623 385942666 /nfs/dbraw/zinc/94/26/66/385942666.db2.gz GDZQCPKJBMHDQN-RJZRQDKASA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)[C@H]1C[C@H]1C ZINC000414065624 191424154 /nfs/dbraw/zinc/42/41/54/191424154.db2.gz GDZQCPKJBMHDQN-UXOAXIEHSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1C[C@H]1C ZINC000414068499 191425272 /nfs/dbraw/zinc/42/52/72/191425272.db2.gz BBXBMXIGHNAQSK-GYSYKLTISA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1C[C@H]1C ZINC000414068514 191425804 /nfs/dbraw/zinc/42/58/04/191425804.db2.gz BBXBMXIGHNAQSK-JTNHKYCSSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1C[C@H]1C ZINC000414068523 385944465 /nfs/dbraw/zinc/94/44/65/385944465.db2.gz BBXBMXIGHNAQSK-SUNKGSAMSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1C[C@H]1C ZINC000414068527 385945395 /nfs/dbraw/zinc/94/53/95/385945395.db2.gz BBXBMXIGHNAQSK-UHIISALHSA-N 1 0 229.323 3.567 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)c(C)c1 ZINC000414072967 385948472 /nfs/dbraw/zinc/94/84/72/385948472.db2.gz FHKSVOLEZMPQIH-KBPBESRZSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)c(C)c1 ZINC000414073005 385947483 /nfs/dbraw/zinc/94/74/83/385947483.db2.gz FHKSVOLEZMPQIH-KGLIPLIRSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)c(C)c1 ZINC000414073007 385946861 /nfs/dbraw/zinc/94/68/61/385946861.db2.gz FHKSVOLEZMPQIH-UONOGXRCSA-N 1 0 245.366 3.763 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c(C)c1 ZINC000414073009 385946850 /nfs/dbraw/zinc/94/68/50/385946850.db2.gz FHKSVOLEZMPQIH-ZIAGYGMSSA-N 1 0 245.366 3.763 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000414076003 191426453 /nfs/dbraw/zinc/42/64/53/191426453.db2.gz PSHSOHOIGALPQD-GYSYKLTISA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000414076005 385948476 /nfs/dbraw/zinc/94/84/76/385948476.db2.gz PSHSOHOIGALPQD-JTNHKYCSSA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000414076007 385947610 /nfs/dbraw/zinc/94/76/10/385947610.db2.gz PSHSOHOIGALPQD-MISXGVKJSA-N 1 0 235.396 3.543 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000414076010 385947419 /nfs/dbraw/zinc/94/74/19/385947419.db2.gz PSHSOHOIGALPQD-WDMOLILDSA-N 1 0 235.396 3.543 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CC1(C)C)c1ccncc1 ZINC000414080536 385950370 /nfs/dbraw/zinc/95/03/70/385950370.db2.gz DFYILMATBMUQPS-ILXRZTDVSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CC1(C)C)c1ccncc1 ZINC000414080537 191428330 /nfs/dbraw/zinc/42/83/30/191428330.db2.gz DFYILMATBMUQPS-KKUMJFAQSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@H]1CC1(C)C ZINC000414080538 191428270 /nfs/dbraw/zinc/42/82/70/191428270.db2.gz DFYILMATBMUQPS-QLFBSQMISA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@@H]1CC1(C)C ZINC000414080539 385949464 /nfs/dbraw/zinc/94/94/64/385949464.db2.gz DFYILMATBMUQPS-SOUVJXGZSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[C@H]1C ZINC000414081027 191427558 /nfs/dbraw/zinc/42/75/58/191427558.db2.gz DSKFZIJMZYHLLG-BMFZPTHFSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)[C@H]1C[C@@H]1C ZINC000414081031 385952477 /nfs/dbraw/zinc/95/24/77/385952477.db2.gz DSKFZIJMZYHLLG-BPUTZDHNSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1C[C@@H]1C ZINC000414081034 191427582 /nfs/dbraw/zinc/42/75/82/191427582.db2.gz DSKFZIJMZYHLLG-IMJJTQAJSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)[C@H]1C[C@H]1C ZINC000414081037 191427609 /nfs/dbraw/zinc/42/76/09/191427609.db2.gz DSKFZIJMZYHLLG-KBMXLJTQSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1C[C@H]1C ZINC000414093517 385958803 /nfs/dbraw/zinc/95/88/03/385958803.db2.gz MHSATKYMNQAHTD-JMSVASOKSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1C[C@H]1C ZINC000414093519 385960184 /nfs/dbraw/zinc/96/01/84/385960184.db2.gz MHSATKYMNQAHTD-LALPHHSUSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1C[C@H]1C ZINC000414093521 191430682 /nfs/dbraw/zinc/43/06/82/191430682.db2.gz MHSATKYMNQAHTD-TYNCELHUSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1C[C@H]1C ZINC000414093523 385959304 /nfs/dbraw/zinc/95/93/04/385959304.db2.gz MHSATKYMNQAHTD-XUJVJEKNSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414095922 191431363 /nfs/dbraw/zinc/43/13/63/191431363.db2.gz OKLAUAIXWYHIMA-GTJNWLRHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414095923 385960321 /nfs/dbraw/zinc/96/03/21/385960321.db2.gz OKLAUAIXWYHIMA-IGFOULAYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414095924 385958998 /nfs/dbraw/zinc/95/89/98/385958998.db2.gz OKLAUAIXWYHIMA-PZZFRKRLSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414095925 385958738 /nfs/dbraw/zinc/95/87/38/385958738.db2.gz OKLAUAIXWYHIMA-SOCLWGNMSA-N 1 0 229.367 3.567 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414100404 385964249 /nfs/dbraw/zinc/96/42/49/385964249.db2.gz RTFKZMMKLYLXQZ-IOASZLSFSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000414100406 385963908 /nfs/dbraw/zinc/96/39/08/385963908.db2.gz RTFKZMMKLYLXQZ-WOSRLPQWSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414100409 385964604 /nfs/dbraw/zinc/96/46/04/385964604.db2.gz RTFKZMMKLYLXQZ-XJKCOSOUSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000414100411 385964956 /nfs/dbraw/zinc/96/49/56/385964956.db2.gz RTFKZMMKLYLXQZ-ZENOOKHLSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C ZINC000414100785 385964548 /nfs/dbraw/zinc/96/45/48/385964548.db2.gz VXFQORAEYZGGBA-KKOKHZNYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@@H]1C ZINC000414100789 191432503 /nfs/dbraw/zinc/43/25/03/191432503.db2.gz VXFQORAEYZGGBA-QCNOEVLYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1C[C@@H]1C ZINC000414100792 191432605 /nfs/dbraw/zinc/43/26/05/191432605.db2.gz VXFQORAEYZGGBA-USZNOCQGSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414100795 191432899 /nfs/dbraw/zinc/43/28/99/191432899.db2.gz VXFQORAEYZGGBA-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100859 385964685 /nfs/dbraw/zinc/96/46/85/385964685.db2.gz VZTXAQYDMVIXIE-DNJQJEMRSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100861 385964291 /nfs/dbraw/zinc/96/42/91/385964291.db2.gz VZTXAQYDMVIXIE-KEPMVKOISA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100863 191432419 /nfs/dbraw/zinc/43/24/19/191432419.db2.gz VZTXAQYDMVIXIE-ORXSELOVSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100866 385964844 /nfs/dbraw/zinc/96/48/44/385964844.db2.gz VZTXAQYDMVIXIE-PRFIWBCESA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100868 385964645 /nfs/dbraw/zinc/96/46/45/385964645.db2.gz VZTXAQYDMVIXIE-QYTUQVAYSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100870 385963873 /nfs/dbraw/zinc/96/38/73/385963873.db2.gz VZTXAQYDMVIXIE-VWMGYNLJSA-N 1 0 239.309 3.660 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnccc1C)[C@H]1CC1(C)C ZINC000414101109 385964590 /nfs/dbraw/zinc/96/45/90/385964590.db2.gz SAXAYVTUUIHZPI-CFVMTHIKSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnccc1C)[C@@H]1CC1(C)C ZINC000414101110 191432935 /nfs/dbraw/zinc/43/29/35/191432935.db2.gz SAXAYVTUUIHZPI-QEJZJMRPSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnccc1C)[C@@H]1CC1(C)C ZINC000414101111 385964580 /nfs/dbraw/zinc/96/45/80/385964580.db2.gz SAXAYVTUUIHZPI-SNPRPXQTSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnccc1C)[C@H]1CC1(C)C ZINC000414101112 191432476 /nfs/dbraw/zinc/43/24/76/191432476.db2.gz SAXAYVTUUIHZPI-YUELXQCFSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@@H]1C[C@H]1C ZINC000414101536 191432538 /nfs/dbraw/zinc/43/25/38/191432538.db2.gz MCNGQWJSNBOTCM-DTHBNOIPSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@H]1C[C@@H]1C ZINC000414101538 385964789 /nfs/dbraw/zinc/96/47/89/385964789.db2.gz MCNGQWJSNBOTCM-GUDRVLHUSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@H]1C[C@H]1C ZINC000414101540 385964431 /nfs/dbraw/zinc/96/44/31/385964431.db2.gz MCNGQWJSNBOTCM-KLBPJQLPSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@@H]1C[C@@H]1C ZINC000414101542 385963840 /nfs/dbraw/zinc/96/38/40/385963840.db2.gz MCNGQWJSNBOTCM-UXCLJVHYSA-N 1 0 239.309 3.660 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414106709 385967547 /nfs/dbraw/zinc/96/75/47/385967547.db2.gz REFSHVWPVNURBA-GUYJKWIASA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414106710 191433987 /nfs/dbraw/zinc/43/39/87/191433987.db2.gz REFSHVWPVNURBA-GVAFMPQTSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414106711 191433439 /nfs/dbraw/zinc/43/34/39/191433439.db2.gz REFSHVWPVNURBA-NOXHYTERSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414106712 385966385 /nfs/dbraw/zinc/96/63/85/385966385.db2.gz REFSHVWPVNURBA-YXAMBPQSSA-N 1 0 246.398 3.729 20 0 BHADRO CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@H]1C[C@@H]1C ZINC000414108642 191435067 /nfs/dbraw/zinc/43/50/67/191435067.db2.gz UEABIOOUMXSNKB-DDWPSWQVSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@@H]1C[C@H]1C ZINC000414108649 191434739 /nfs/dbraw/zinc/43/47/39/191434739.db2.gz UEABIOOUMXSNKB-FWYOQMDTSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@H]1C[C@H]1C ZINC000414108652 385970001 /nfs/dbraw/zinc/97/00/01/385970001.db2.gz UEABIOOUMXSNKB-MEYUZBJRSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@@H]1C[C@@H]1C ZINC000414108655 385969071 /nfs/dbraw/zinc/96/90/71/385969071.db2.gz UEABIOOUMXSNKB-MWNCTCPHSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000414112156 386005920 /nfs/dbraw/zinc/00/59/20/386005920.db2.gz JTKZSIKKBJKLQQ-BLTAXRJOSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1C[C@@H]1C ZINC000414112158 386006501 /nfs/dbraw/zinc/00/65/01/386006501.db2.gz JTKZSIKKBJKLQQ-FUTJPDQTSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1C[C@H]1C ZINC000414112161 386006362 /nfs/dbraw/zinc/00/63/62/386006362.db2.gz JTKZSIKKBJKLQQ-RTWAVKEYSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1C[C@@H]1C ZINC000414112163 386006008 /nfs/dbraw/zinc/00/60/08/386006008.db2.gz JTKZSIKKBJKLQQ-YFCNSXCBSA-N 1 0 235.346 3.563 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000414112713 386005864 /nfs/dbraw/zinc/00/58/64/386005864.db2.gz AHXGFXHYDTYTTI-IOASZLSFSA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000414112716 386005677 /nfs/dbraw/zinc/00/56/77/386005677.db2.gz AHXGFXHYDTYTTI-WOSRLPQWSA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000414112719 386006309 /nfs/dbraw/zinc/00/63/09/386006309.db2.gz AHXGFXHYDTYTTI-XJKCOSOUSA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000414112720 191447290 /nfs/dbraw/zinc/44/72/90/191447290.db2.gz AHXGFXHYDTYTTI-ZENOOKHLSA-N 1 0 246.398 3.643 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000414115889 386009450 /nfs/dbraw/zinc/00/94/50/386009450.db2.gz PWSYDCLRRXOYNM-MEBFFEOJSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000414115890 386009113 /nfs/dbraw/zinc/00/91/13/386009113.db2.gz PWSYDCLRRXOYNM-RGDJUOJXSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000414115891 386009421 /nfs/dbraw/zinc/00/94/21/386009421.db2.gz PWSYDCLRRXOYNM-RKQHYHRCSA-N 1 0 241.444 3.685 20 0 BHADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000414115892 191449100 /nfs/dbraw/zinc/44/91/00/191449100.db2.gz PWSYDCLRRXOYNM-VJTDZRGJSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@@H]1C[C@@H]1C ZINC000414116862 386010934 /nfs/dbraw/zinc/01/09/34/386010934.db2.gz ROAYNUOWSUVYEM-CIQGVGRVSA-N 1 0 237.412 3.561 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@@H]1C[C@H]1C ZINC000414116863 386010959 /nfs/dbraw/zinc/01/09/59/386010959.db2.gz ROAYNUOWSUVYEM-FMCLSXCISA-N 1 0 237.412 3.561 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@H]1C[C@@H]1C ZINC000414116864 386012356 /nfs/dbraw/zinc/01/23/56/386012356.db2.gz ROAYNUOWSUVYEM-FMSGJZPZSA-N 1 0 237.412 3.561 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@H]1C[C@H]1C ZINC000414116865 191448635 /nfs/dbraw/zinc/44/86/35/191448635.db2.gz ROAYNUOWSUVYEM-SFTQSGBHSA-N 1 0 237.412 3.561 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)o1 ZINC000414120075 386014530 /nfs/dbraw/zinc/01/45/30/386014530.db2.gz XFLMLGSKVAGCHE-HTTKSJEASA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)o1 ZINC000414120079 386014472 /nfs/dbraw/zinc/01/44/72/386014472.db2.gz XFLMLGSKVAGCHE-MEDZGJRSSA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)o1 ZINC000414120082 386014011 /nfs/dbraw/zinc/01/40/11/386014011.db2.gz XFLMLGSKVAGCHE-NDPMZMCLSA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)o1 ZINC000414120087 386014670 /nfs/dbraw/zinc/01/46/70/386014670.db2.gz XFLMLGSKVAGCHE-OICBVUGWSA-N 1 0 235.371 3.543 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000414122796 191435351 /nfs/dbraw/zinc/43/53/51/191435351.db2.gz AZPKYQHTECAIMX-JMSVASOKSA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000414122797 385971812 /nfs/dbraw/zinc/97/18/12/385971812.db2.gz AZPKYQHTECAIMX-LALPHHSUSA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000414122798 385971902 /nfs/dbraw/zinc/97/19/02/385971902.db2.gz AZPKYQHTECAIMX-YWPYICTPSA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000414122799 385972524 /nfs/dbraw/zinc/97/25/24/385972524.db2.gz AZPKYQHTECAIMX-ZOWXZIJZSA-N 1 0 249.423 3.585 20 0 BHADRO FCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414123824 385971792 /nfs/dbraw/zinc/97/17/92/385971792.db2.gz BPVAPNZFUWKZTP-AAEUAGOBSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414123827 385972854 /nfs/dbraw/zinc/97/28/54/385972854.db2.gz BPVAPNZFUWKZTP-DGCLKSJQSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414123831 385971709 /nfs/dbraw/zinc/97/17/09/385971709.db2.gz BPVAPNZFUWKZTP-WCQYABFASA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414123836 385972724 /nfs/dbraw/zinc/97/27/24/385972724.db2.gz BPVAPNZFUWKZTP-YPMHNXCESA-N 1 0 241.737 3.535 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@H]1C[C@@H]1C ZINC000414125001 385974442 /nfs/dbraw/zinc/97/44/42/385974442.db2.gz PUVFSGGVEIJFPW-CYUUQNCZSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@@H]1C[C@@H]1C ZINC000414125003 385975342 /nfs/dbraw/zinc/97/53/42/385975342.db2.gz PUVFSGGVEIJFPW-PMOUVXMZSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@@H]1C[C@H]1C ZINC000414125004 191436222 /nfs/dbraw/zinc/43/62/22/191436222.db2.gz PUVFSGGVEIJFPW-REBRKWNGSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)[C@H]1C[C@H]1C ZINC000414125006 385974469 /nfs/dbraw/zinc/97/44/69/385974469.db2.gz PUVFSGGVEIJFPW-UQOMUDLDSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)C(C)C ZINC000414125727 385976172 /nfs/dbraw/zinc/97/61/72/385976172.db2.gz QKCBBHPMQBTWBK-APIJFGDWSA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)C(C)C ZINC000414125729 385974723 /nfs/dbraw/zinc/97/47/23/385974723.db2.gz QKCBBHPMQBTWBK-GBJTYRQASA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)C(C)C ZINC000414125731 385975819 /nfs/dbraw/zinc/97/58/19/385975819.db2.gz QKCBBHPMQBTWBK-KBUPBQIOSA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)C(C)C ZINC000414125733 385974795 /nfs/dbraw/zinc/97/47/95/385974795.db2.gz QKCBBHPMQBTWBK-LJISPDSOSA-N 1 0 246.398 3.721 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@@H]1C ZINC000414127260 385976818 /nfs/dbraw/zinc/97/68/18/385976818.db2.gz GDSOOLUPEYVJLT-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)c(C)c1 ZINC000414127300 385977226 /nfs/dbraw/zinc/97/72/26/385977226.db2.gz SADKSNFSEPVUBS-CHWSQXEVSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)c(C)c1 ZINC000414127302 385977205 /nfs/dbraw/zinc/97/72/05/385977205.db2.gz SADKSNFSEPVUBS-OLZOCXBDSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)c(C)c1 ZINC000414127303 385976995 /nfs/dbraw/zinc/97/69/95/385976995.db2.gz SADKSNFSEPVUBS-QWHCGFSZSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)c(C)c1 ZINC000414127304 385976863 /nfs/dbraw/zinc/97/68/63/385976863.db2.gz SADKSNFSEPVUBS-STQMWFEESA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414130522 191437232 /nfs/dbraw/zinc/43/72/32/191437232.db2.gz JNYIOKQOURXDSW-CHWFTXMASA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414130524 385979030 /nfs/dbraw/zinc/97/90/30/385979030.db2.gz JNYIOKQOURXDSW-GWOFURMSSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414130526 191436911 /nfs/dbraw/zinc/43/69/11/191436911.db2.gz JNYIOKQOURXDSW-LNFKQOIKSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414130527 191436835 /nfs/dbraw/zinc/43/68/35/191436835.db2.gz JNYIOKQOURXDSW-ZRUFSTJUSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H]1C[C@H]1C ZINC000414130543 385979536 /nfs/dbraw/zinc/97/95/36/385979536.db2.gz JOYJMIXCBVRJPE-BREBYQMCSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1C[C@H]1C ZINC000414130545 385979259 /nfs/dbraw/zinc/97/92/59/385979259.db2.gz JOYJMIXCBVRJPE-GBIKHYSHSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1C[C@H]1C ZINC000414130546 385979948 /nfs/dbraw/zinc/97/99/48/385979948.db2.gz JOYJMIXCBVRJPE-GIPNMCIBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H]1C[C@H]1C ZINC000414130548 385979212 /nfs/dbraw/zinc/97/92/12/385979212.db2.gz JOYJMIXCBVRJPE-NRUUGDAUSA-N 1 0 239.309 3.758 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC=C(C)C)c(C)c1 ZINC000414130799 385978246 /nfs/dbraw/zinc/97/82/46/385978246.db2.gz JWSGIQHEVMOSBO-CYBMUJFWSA-N 1 0 233.355 3.620 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC=C(C)C)c(C)c1 ZINC000414130800 385979308 /nfs/dbraw/zinc/97/93/08/385979308.db2.gz JWSGIQHEVMOSBO-ZDUSSCGKSA-N 1 0 233.355 3.620 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C ZINC000414132958 398217410 /nfs/dbraw/zinc/21/74/10/398217410.db2.gz GDSOOLUPEYVJLT-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414132972 398217542 /nfs/dbraw/zinc/21/75/42/398217542.db2.gz GDSOOLUPEYVJLT-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1C[C@@H]1C ZINC000414132982 191436665 /nfs/dbraw/zinc/43/66/65/191436665.db2.gz GDSOOLUPEYVJLT-RNJOBUHISA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CC1(C)C ZINC000414133830 385981514 /nfs/dbraw/zinc/98/15/14/385981514.db2.gz DBBFZBACACOUBT-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CC1(C)C ZINC000414133833 191438652 /nfs/dbraw/zinc/43/86/52/191438652.db2.gz DBBFZBACACOUBT-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CC1(C)C ZINC000414133834 385981681 /nfs/dbraw/zinc/98/16/81/385981681.db2.gz DBBFZBACACOUBT-VHSXEESVSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CC1(C)C ZINC000414133835 385982409 /nfs/dbraw/zinc/98/24/09/385982409.db2.gz DBBFZBACACOUBT-ZJUUUORDSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414135378 385985025 /nfs/dbraw/zinc/98/50/25/385985025.db2.gz OHLWUNCAXRRTOA-DBIOUOCHSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414135379 385984503 /nfs/dbraw/zinc/98/45/03/385984503.db2.gz OHLWUNCAXRRTOA-GWOFURMSSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414135381 385985121 /nfs/dbraw/zinc/98/51/21/385985121.db2.gz OHLWUNCAXRRTOA-LNFKQOIKSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414135384 385984083 /nfs/dbraw/zinc/98/40/83/385984083.db2.gz OHLWUNCAXRRTOA-ZDCRXTMVSA-N 1 0 237.309 3.742 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1C[C@@H]1C ZINC000414139937 385987721 /nfs/dbraw/zinc/98/77/21/385987721.db2.gz HOIKJVGHRUXBLZ-AXFHLTTASA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1C[C@@H]1C ZINC000414139946 385987009 /nfs/dbraw/zinc/98/70/09/385987009.db2.gz HOIKJVGHRUXBLZ-DCAQKATOSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1C[C@H]1C ZINC000414139950 191440431 /nfs/dbraw/zinc/44/04/31/191440431.db2.gz HOIKJVGHRUXBLZ-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1C[C@H]1C ZINC000414139955 385987730 /nfs/dbraw/zinc/98/77/30/385987730.db2.gz HOIKJVGHRUXBLZ-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414140370 385987886 /nfs/dbraw/zinc/98/78/86/385987886.db2.gz LOYBBXLLDKULBD-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414140373 385987118 /nfs/dbraw/zinc/98/71/18/385987118.db2.gz LOYBBXLLDKULBD-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414140689 385986964 /nfs/dbraw/zinc/98/69/64/385986964.db2.gz LOYBBXLLDKULBD-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@H]1C[C@H]1C ZINC000414140692 385986692 /nfs/dbraw/zinc/98/66/92/385986692.db2.gz LOYBBXLLDKULBD-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)[C@H]1C[C@H]1C ZINC000414142207 385989731 /nfs/dbraw/zinc/98/97/31/385989731.db2.gz MTLBYOSAOIVIAA-BYNQJWBRSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)[C@H]1C[C@H]1C ZINC000414142209 191441457 /nfs/dbraw/zinc/44/14/57/191441457.db2.gz MTLBYOSAOIVIAA-CZXHOFHRSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)[C@H]1C[C@H]1C ZINC000414142211 191441549 /nfs/dbraw/zinc/44/15/49/191441549.db2.gz MTLBYOSAOIVIAA-NMKXLXIOSA-N 1 0 247.407 3.510 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)[C@H]1C[C@H]1C ZINC000414142213 385989585 /nfs/dbraw/zinc/98/95/85/385989585.db2.gz MTLBYOSAOIVIAA-UHXUPSOCSA-N 1 0 247.407 3.510 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000414146099 385995403 /nfs/dbraw/zinc/99/54/03/385995403.db2.gz UZKXTDJPXPMYBR-AEJSXWLSSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000414146101 385995592 /nfs/dbraw/zinc/99/55/92/385995592.db2.gz UZKXTDJPXPMYBR-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000414146103 191443169 /nfs/dbraw/zinc/44/31/69/191443169.db2.gz UZKXTDJPXPMYBR-GUBZILKMSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000414146104 385993883 /nfs/dbraw/zinc/99/38/83/385993883.db2.gz UZKXTDJPXPMYBR-UTLUCORTSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1C[C@H]1C ZINC000414146699 191442923 /nfs/dbraw/zinc/44/29/23/191442923.db2.gz QRKHSJDBRRPTEB-GGUBGCTKSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1C[C@H]1C ZINC000414146700 385995779 /nfs/dbraw/zinc/99/57/79/385995779.db2.gz QRKHSJDBRRPTEB-MYYUVRNCSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1C[C@H]1C ZINC000414146702 385995634 /nfs/dbraw/zinc/99/56/34/385995634.db2.gz QRKHSJDBRRPTEB-RKEKIRQTSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1C[C@H]1C ZINC000414146704 385995394 /nfs/dbraw/zinc/99/53/94/385995394.db2.gz QRKHSJDBRRPTEB-URFZWBKFSA-N 1 0 245.366 3.533 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414148200 385996303 /nfs/dbraw/zinc/99/63/03/385996303.db2.gz SHWRKNGLORJHSR-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414148202 385996354 /nfs/dbraw/zinc/99/63/54/385996354.db2.gz SHWRKNGLORJHSR-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000414148309 191444769 /nfs/dbraw/zinc/44/47/69/191444769.db2.gz RWJGRXLWYAPUIR-KFWWJZLASA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000414148310 385997726 /nfs/dbraw/zinc/99/77/26/385997726.db2.gz RWJGRXLWYAPUIR-SOUVJXGZSA-N 1 0 247.382 3.602 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1C[C@H]1C ZINC000414149080 385998054 /nfs/dbraw/zinc/99/80/54/385998054.db2.gz UMMXAMJDRGMYNQ-DCXAKIHSSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1C[C@H]1C ZINC000414149081 385997422 /nfs/dbraw/zinc/99/74/22/385997422.db2.gz UMMXAMJDRGMYNQ-GUEXDDAASA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1C[C@H]1C ZINC000414149082 191444766 /nfs/dbraw/zinc/44/47/66/191444766.db2.gz UMMXAMJDRGMYNQ-PDGPNTQRSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1C[C@H]1C ZINC000414149083 385997057 /nfs/dbraw/zinc/99/70/57/385997057.db2.gz UMMXAMJDRGMYNQ-VUBORPHZSA-N 1 0 247.357 3.706 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414149188 385998101 /nfs/dbraw/zinc/99/81/01/385998101.db2.gz XJTMHPCBSPCOJM-DBIOUOCHSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414149193 385998322 /nfs/dbraw/zinc/99/83/22/385998322.db2.gz XJTMHPCBSPCOJM-VLEAKVRGSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414149199 385997350 /nfs/dbraw/zinc/99/73/50/385997350.db2.gz XJTMHPCBSPCOJM-ZDCRXTMVSA-N 1 0 237.309 3.598 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414149205 385996387 /nfs/dbraw/zinc/99/63/87/385996387.db2.gz XJTMHPCBSPCOJM-ZNSHCXBVSA-N 1 0 237.309 3.598 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414149502 385998037 /nfs/dbraw/zinc/99/80/37/385998037.db2.gz OKLAUAIXWYHIMA-CCECPURYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414149513 385997495 /nfs/dbraw/zinc/99/74/95/385997495.db2.gz OKLAUAIXWYHIMA-IPQWEPCOSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414149520 385996759 /nfs/dbraw/zinc/99/67/59/385996759.db2.gz OKLAUAIXWYHIMA-JLHFOLKXSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414149528 385998181 /nfs/dbraw/zinc/99/81/81/385998181.db2.gz OKLAUAIXWYHIMA-UDUPFKKZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1C[C@H]1C ZINC000414149632 191445669 /nfs/dbraw/zinc/44/56/69/191445669.db2.gz OMIWIFMVDJVHCR-FTQJZPFOSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@H]1C[C@H]1C ZINC000414149633 191445426 /nfs/dbraw/zinc/44/54/26/191445426.db2.gz OMIWIFMVDJVHCR-HVNMYJMUSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@H]1C[C@H]1C ZINC000414149634 385999897 /nfs/dbraw/zinc/99/98/97/385999897.db2.gz OMIWIFMVDJVHCR-OKWIKPQFSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1C[C@H]1C ZINC000414149635 386000152 /nfs/dbraw/zinc/00/01/52/386000152.db2.gz OMIWIFMVDJVHCR-WPLOAARJSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1C ZINC000414149658 385999851 /nfs/dbraw/zinc/99/98/51/385999851.db2.gz OGCWEFGQRWCGAW-JMSVASOKSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1C ZINC000414149659 191445184 /nfs/dbraw/zinc/44/51/84/191445184.db2.gz OGCWEFGQRWCGAW-LALPHHSUSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1C ZINC000414149660 191445539 /nfs/dbraw/zinc/44/55/39/191445539.db2.gz OGCWEFGQRWCGAW-TYNCELHUSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1C ZINC000414149661 191445497 /nfs/dbraw/zinc/44/54/97/191445497.db2.gz OGCWEFGQRWCGAW-XUJVJEKNSA-N 1 0 247.357 3.535 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000414150798 191445861 /nfs/dbraw/zinc/44/58/61/191445861.db2.gz VKNJBSOVXFCAEX-BMFZPTHFSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000414150801 386000467 /nfs/dbraw/zinc/00/04/67/386000467.db2.gz VKNJBSOVXFCAEX-CWRNSKLLSA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccccc1 ZINC000414151248 386000677 /nfs/dbraw/zinc/00/06/77/386000677.db2.gz VZCMDBHMRMZTDG-OWCLPIDISA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccccc1 ZINC000414151249 385999412 /nfs/dbraw/zinc/99/94/12/385999412.db2.gz VZCMDBHMRMZTDG-XHSDSOJGSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1C[C@H]1C ZINC000414151819 386002005 /nfs/dbraw/zinc/00/20/05/386002005.db2.gz QFOMJMNGCONUMA-DCXAKIHSSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1C[C@H]1C ZINC000414151826 191445340 /nfs/dbraw/zinc/44/53/40/191445340.db2.gz QFOMJMNGCONUMA-GUEXDDAASA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1C[C@H]1C ZINC000414151834 386001455 /nfs/dbraw/zinc/00/14/55/386001455.db2.gz QFOMJMNGCONUMA-PDGPNTQRSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1C[C@H]1C ZINC000414151841 386002602 /nfs/dbraw/zinc/00/26/02/386002602.db2.gz QFOMJMNGCONUMA-VUBORPHZSA-N 1 0 247.357 3.706 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c(C)c1 ZINC000414152796 386002576 /nfs/dbraw/zinc/00/25/76/386002576.db2.gz XIIKVRWBUGKHLG-CYBMUJFWSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)c(C)c1 ZINC000414152797 191445961 /nfs/dbraw/zinc/44/59/61/191445961.db2.gz XIIKVRWBUGKHLG-ZDUSSCGKSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1C[C@@H]1C ZINC000414153474 386002951 /nfs/dbraw/zinc/00/29/51/386002951.db2.gz RIMRLGSGIAQUNA-DRZSPHRISA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1C[C@H]1C ZINC000414153476 386002033 /nfs/dbraw/zinc/00/20/33/386002033.db2.gz RIMRLGSGIAQUNA-RTXFEEFZSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1C[C@@H]1C ZINC000414153478 386002939 /nfs/dbraw/zinc/00/29/39/386002939.db2.gz RIMRLGSGIAQUNA-UHTWSYAYSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1C[C@H]1C ZINC000414153480 386002615 /nfs/dbraw/zinc/00/26/15/386002615.db2.gz RIMRLGSGIAQUNA-WXHSDQCUSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1 ZINC000414153583 386004834 /nfs/dbraw/zinc/00/48/34/386004834.db2.gz ZREVXPOTMCBVEA-BMFZPTHFSA-N 1 0 247.382 3.602 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1 ZINC000414153585 191446782 /nfs/dbraw/zinc/44/67/82/191446782.db2.gz ZREVXPOTMCBVEA-CWRNSKLLSA-N 1 0 247.382 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCc1cccnc1)C1CC1 ZINC000414155393 191447439 /nfs/dbraw/zinc/44/74/39/191447439.db2.gz NJCQURYFEPRWET-BBRMVZONSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCc1cccnc1)C1CC1 ZINC000414155395 386004524 /nfs/dbraw/zinc/00/45/24/386004524.db2.gz NJCQURYFEPRWET-CJNGLKHVSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCc1cccnc1)C1CC1 ZINC000414155397 386003743 /nfs/dbraw/zinc/00/37/43/386003743.db2.gz NJCQURYFEPRWET-CZUORRHYSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1CC1 ZINC000414155398 386004510 /nfs/dbraw/zinc/00/45/10/386004510.db2.gz NJCQURYFEPRWET-XJKSGUPXSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)[C@H]1CC1(C)C ZINC000414161148 386044958 /nfs/dbraw/zinc/04/49/58/386044958.db2.gz JWAHZLBLVZXYQX-JPPWEJMLSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)[C@H]1CC1(C)C ZINC000414161150 386046324 /nfs/dbraw/zinc/04/63/24/386046324.db2.gz JWAHZLBLVZXYQX-LXKPXOPUSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)[C@@H]1CC1(C)C ZINC000414161152 386046018 /nfs/dbraw/zinc/04/60/18/386046018.db2.gz JWAHZLBLVZXYQX-TVUZUIDESA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)[C@@H]1CC1(C)C ZINC000414161154 191463711 /nfs/dbraw/zinc/46/37/11/191463711.db2.gz JWAHZLBLVZXYQX-WFBLGPOFSA-N 1 0 249.320 3.742 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)nc1C ZINC000414161324 386045687 /nfs/dbraw/zinc/04/56/87/386045687.db2.gz FFRHXRUBWNXFCO-CABCVRRESA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)nc1C ZINC000414161325 386044849 /nfs/dbraw/zinc/04/48/49/386044849.db2.gz FFRHXRUBWNXFCO-GJZGRUSLSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)nc1C ZINC000414161326 386045338 /nfs/dbraw/zinc/04/53/38/386045338.db2.gz FFRHXRUBWNXFCO-HUUCEWRRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)nc1C ZINC000414161327 386046474 /nfs/dbraw/zinc/04/64/74/386046474.db2.gz FFRHXRUBWNXFCO-LSDHHAIUSA-N 1 0 246.398 3.613 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000414161378 386045947 /nfs/dbraw/zinc/04/59/47/386045947.db2.gz FKDBSFNSOBEWTE-CFVMTHIKSA-N 1 0 245.341 3.604 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000414161380 191463230 /nfs/dbraw/zinc/46/32/30/191463230.db2.gz FKDBSFNSOBEWTE-NWANDNLSSA-N 1 0 245.341 3.604 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](c1cccnc1)C(C)C ZINC000414164117 191463608 /nfs/dbraw/zinc/46/36/08/191463608.db2.gz ACPYMXJXWPLANN-BZUAXINKSA-N 1 0 246.398 3.803 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](c1cccnc1)C(C)C ZINC000414164118 386048130 /nfs/dbraw/zinc/04/81/30/386048130.db2.gz ACPYMXJXWPLANN-OAGGEKHMSA-N 1 0 246.398 3.803 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000414164558 386048443 /nfs/dbraw/zinc/04/84/43/386048443.db2.gz AVRXUJKIDXVIAN-DNDYEEKYSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000414164560 386048560 /nfs/dbraw/zinc/04/85/60/386048560.db2.gz AVRXUJKIDXVIAN-HESLUPGFSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000414164561 386047492 /nfs/dbraw/zinc/04/74/92/386047492.db2.gz AVRXUJKIDXVIAN-LMRVLLHPSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000414164563 386047955 /nfs/dbraw/zinc/04/79/55/386047955.db2.gz AVRXUJKIDXVIAN-ZUJMUWTESA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccco1 ZINC000414165557 386048157 /nfs/dbraw/zinc/04/81/57/386048157.db2.gz CJRFJZKJAAAIOS-SCDSUCTJSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccco1 ZINC000414165559 386048836 /nfs/dbraw/zinc/04/88/36/386048836.db2.gz CJRFJZKJAAAIOS-VHRBIJSZSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C(C)(C)C ZINC000414165852 191464028 /nfs/dbraw/zinc/46/40/28/191464028.db2.gz CWWWLPRBCPNTMX-SCDSUCTJSA-N 1 0 235.346 3.706 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C(C)(C)C ZINC000414165853 386049141 /nfs/dbraw/zinc/04/91/41/386049141.db2.gz CWWWLPRBCPNTMX-VHRBIJSZSA-N 1 0 235.346 3.706 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1ccncc1 ZINC000414166583 386051198 /nfs/dbraw/zinc/05/11/98/386051198.db2.gz FEPBOGKADWZFHX-QLFBSQMISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1ccncc1 ZINC000414166585 386050654 /nfs/dbraw/zinc/05/06/54/386050654.db2.gz FEPBOGKADWZFHX-RBSFLKMASA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cccc(O)c1 ZINC000414168268 386049850 /nfs/dbraw/zinc/04/98/50/386049850.db2.gz AAERJYHCJKHTJB-GFCCVEGCSA-N 1 0 245.366 3.766 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cccc(O)c1 ZINC000414168272 386050284 /nfs/dbraw/zinc/05/02/84/386050284.db2.gz AAERJYHCJKHTJB-LBPRGKRZSA-N 1 0 245.366 3.766 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)nc1C ZINC000414168644 386015555 /nfs/dbraw/zinc/01/55/55/386015555.db2.gz QWBWASVDEYRNHY-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)nc1C ZINC000414168652 386015870 /nfs/dbraw/zinc/01/58/70/386015870.db2.gz QWBWASVDEYRNHY-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000414169111 386017570 /nfs/dbraw/zinc/01/75/70/386017570.db2.gz AXVTUSYPFMFZDX-HTAVTVPLSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000414169112 386016349 /nfs/dbraw/zinc/01/63/49/386016349.db2.gz AXVTUSYPFMFZDX-MCIGGMRASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CCC1 ZINC000414169131 386015492 /nfs/dbraw/zinc/01/54/92/386015492.db2.gz AYPKKPFSSIZPLN-BPCQOVAHSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CCC1 ZINC000414169133 191450998 /nfs/dbraw/zinc/45/09/98/191450998.db2.gz AYPKKPFSSIZPLN-WXRRBKDZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccco1 ZINC000414170128 386016132 /nfs/dbraw/zinc/01/61/32/386016132.db2.gz BRVKXTZBUFMIHJ-LLVKDONJSA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccco1 ZINC000414170129 386016243 /nfs/dbraw/zinc/01/62/43/386016243.db2.gz BRVKXTZBUFMIHJ-NSHDSACASA-N 1 0 219.328 3.653 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C2(C3CCC3)CCC2)c1 ZINC000414170152 386015595 /nfs/dbraw/zinc/01/55/95/386015595.db2.gz BUAHKPBAHHJGTE-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2(C3CCC3)CCC2)c1 ZINC000414170155 386015897 /nfs/dbraw/zinc/01/58/97/386015897.db2.gz BUAHKPBAHHJGTE-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2(C3CCC3)CCC2)c1 ZINC000414170438 191451133 /nfs/dbraw/zinc/45/11/33/191451133.db2.gz CAUJHJPGJKUWOS-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2(C3CCC3)CCC2)c1 ZINC000414170439 386016432 /nfs/dbraw/zinc/01/64/32/386016432.db2.gz CAUJHJPGJKUWOS-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1C[C@H]1C ZINC000414170971 386015800 /nfs/dbraw/zinc/01/58/00/386015800.db2.gz CIUBGQXYLNTGLA-IIBVRRFFSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1C[C@@H]1C ZINC000414170972 386016027 /nfs/dbraw/zinc/01/60/27/386016027.db2.gz CIUBGQXYLNTGLA-JSPGJAJPSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1C[C@@H]1C ZINC000414170974 386016142 /nfs/dbraw/zinc/01/61/42/386016142.db2.gz CIUBGQXYLNTGLA-NVNOCSQKSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1C[C@H]1C ZINC000414170975 386016053 /nfs/dbraw/zinc/01/60/53/386016053.db2.gz CIUBGQXYLNTGLA-ZMZXKLSGSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(F)cn1 ZINC000414171277 386017405 /nfs/dbraw/zinc/01/74/05/386017405.db2.gz DBOJCXRLUUKJQB-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(F)cn1 ZINC000414171278 386016950 /nfs/dbraw/zinc/01/69/50/386016950.db2.gz DBOJCXRLUUKJQB-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO C1CC(C2([NH2+][C@@H]3CCC34CCC4)CCC2)C1 ZINC000414173064 191451925 /nfs/dbraw/zinc/45/19/25/191451925.db2.gz GCEPORVDJYRTKO-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC(C2([NH2+][C@H]3CCC34CCC4)CCC2)C1 ZINC000414173067 411409904 /nfs/dbraw/zinc/40/99/04/411409904.db2.gz GCEPORVDJYRTKO-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)[C@H]3C[C@H]3C)ccc2[nH]1 ZINC000414173251 398219041 /nfs/dbraw/zinc/21/90/41/398219041.db2.gz ZJAXFICWBAWOSU-HCKVZZMMSA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)[C@@H]3C[C@H]3C)ccc2[nH]1 ZINC000414173252 191452801 /nfs/dbraw/zinc/45/28/01/191452801.db2.gz ZJAXFICWBAWOSU-IXPVHAAZSA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)[C@@H]3C[C@@H]3C)ccc2[nH]1 ZINC000414173253 398218868 /nfs/dbraw/zinc/21/88/68/398218868.db2.gz ZJAXFICWBAWOSU-JVLSTEMRSA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H](C)[C@H]3C[C@@H]3C)ccc2[nH]1 ZINC000414173254 398218765 /nfs/dbraw/zinc/21/87/65/398218765.db2.gz ZJAXFICWBAWOSU-NVBFEUDRSA-N 1 0 242.366 3.610 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1ccccn1 ZINC000414177363 386020535 /nfs/dbraw/zinc/02/05/35/386020535.db2.gz IXANHZNHPXZYRZ-FVQBIDKESA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1ccccn1 ZINC000414177365 386019882 /nfs/dbraw/zinc/01/98/82/386019882.db2.gz IXANHZNHPXZYRZ-VNQPRFMTSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1cccnc1 ZINC000414179593 191454096 /nfs/dbraw/zinc/45/40/96/191454096.db2.gz KUPBBYIIHORUDQ-BZUAXINKSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)c1cccnc1 ZINC000414179594 386022095 /nfs/dbraw/zinc/02/20/95/386022095.db2.gz KUPBBYIIHORUDQ-OWCLPIDISA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CCC2)o1 ZINC000414181050 386021951 /nfs/dbraw/zinc/02/19/51/386021951.db2.gz MKYZUONKICLKFU-GFCCVEGCSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CCC3)CCC2)o1 ZINC000414181053 386022797 /nfs/dbraw/zinc/02/27/97/386022797.db2.gz MKYZUONKICLKFU-LBPRGKRZSA-N 1 0 233.355 3.961 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000414182322 386022855 /nfs/dbraw/zinc/02/28/55/386022855.db2.gz ARNWBCMCTSQVGP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000414182325 386022744 /nfs/dbraw/zinc/02/27/44/386022744.db2.gz ARNWBCMCTSQVGP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000414182328 191455016 /nfs/dbraw/zinc/45/50/16/191455016.db2.gz ARNWBCMCTSQVGP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000414182331 386022375 /nfs/dbraw/zinc/02/23/75/386022375.db2.gz ARNWBCMCTSQVGP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)oc1C ZINC000414183174 386025779 /nfs/dbraw/zinc/02/57/79/386025779.db2.gz NRDBYSCTFMGOHN-AHLTXXRQSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)oc1C ZINC000414183176 386025084 /nfs/dbraw/zinc/02/50/84/386025084.db2.gz NRDBYSCTFMGOHN-GHYVTOPFSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)oc1C ZINC000414183178 386025516 /nfs/dbraw/zinc/02/55/16/386025516.db2.gz NRDBYSCTFMGOHN-RUZUBIRVSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)oc1C ZINC000414183180 191454930 /nfs/dbraw/zinc/45/49/30/191454930.db2.gz NRDBYSCTFMGOHN-ZZVYKPCYSA-N 1 0 233.355 3.736 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1nccs1 ZINC000414183220 386024963 /nfs/dbraw/zinc/02/49/63/386024963.db2.gz NUOPHFIUSMPGOF-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1nccs1 ZINC000414183221 386024770 /nfs/dbraw/zinc/02/47/70/386024770.db2.gz NUOPHFIUSMPGOF-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000414184999 386024571 /nfs/dbraw/zinc/02/45/71/386024571.db2.gz PAVFSBDDWDJXRH-BPLDGKMQSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000414185004 386026114 /nfs/dbraw/zinc/02/61/14/386026114.db2.gz PAVFSBDDWDJXRH-NWANDNLSSA-N 1 0 246.398 3.729 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414185289 386026199 /nfs/dbraw/zinc/02/61/99/386026199.db2.gz PGRMAPYHJVRTAG-KBVBSXBZSA-N 1 0 241.737 3.723 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414185292 386025707 /nfs/dbraw/zinc/02/57/07/386025707.db2.gz PGRMAPYHJVRTAG-YGOYTEALSA-N 1 0 241.737 3.723 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1(C2CCC2)CCC1 ZINC000414186199 386027737 /nfs/dbraw/zinc/02/77/37/386027737.db2.gz PESNLAMWPQLIIP-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1(C2CCC2)CCC1 ZINC000414186200 386027711 /nfs/dbraw/zinc/02/77/11/386027711.db2.gz PESNLAMWPQLIIP-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000414186485 386027341 /nfs/dbraw/zinc/02/73/41/386027341.db2.gz CSHYYSNZYURPIL-DZGCQCFKSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000414186492 386028752 /nfs/dbraw/zinc/02/87/52/386028752.db2.gz CSHYYSNZYURPIL-HIFRSBDPSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000414186496 386028086 /nfs/dbraw/zinc/02/80/86/386028086.db2.gz CSHYYSNZYURPIL-UKRRQHHQSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000414186499 191455941 /nfs/dbraw/zinc/45/59/41/191455941.db2.gz CSHYYSNZYURPIL-ZFWWWQNUSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414186904 386027334 /nfs/dbraw/zinc/02/73/34/386027334.db2.gz PQZJRGHFNABAAO-MHDGFBEUSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414186905 386027690 /nfs/dbraw/zinc/02/76/90/386027690.db2.gz PQZJRGHFNABAAO-RFHZTLPTSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414186906 386028397 /nfs/dbraw/zinc/02/83/97/386028397.db2.gz PQZJRGHFNABAAO-UZGDPCLZSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414186907 386028246 /nfs/dbraw/zinc/02/82/46/386028246.db2.gz PQZJRGHFNABAAO-XCCSTKFXSA-N 1 0 235.396 3.896 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cncs1 ZINC000414188336 386027325 /nfs/dbraw/zinc/02/73/25/386027325.db2.gz QOSSRNLDEXKGCO-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cncs1 ZINC000414188338 386027987 /nfs/dbraw/zinc/02/79/87/386027987.db2.gz QOSSRNLDEXKGCO-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000414189458 386029468 /nfs/dbraw/zinc/02/94/68/386029468.db2.gz SFXQCWZWMIKSMO-PPWQZUPISA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000414189460 386029737 /nfs/dbraw/zinc/02/97/37/386029737.db2.gz SFXQCWZWMIKSMO-URGYJCLVSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000414189461 191456237 /nfs/dbraw/zinc/45/62/37/191456237.db2.gz SFXQCWZWMIKSMO-VXGQWTEUSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000414189463 191455802 /nfs/dbraw/zinc/45/58/02/191455802.db2.gz SFXQCWZWMIKSMO-XSCHDIRWSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccncc1F ZINC000414189890 386030911 /nfs/dbraw/zinc/03/09/11/386030911.db2.gz RMZNMXCCGQLDGC-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccncc1F ZINC000414189894 386030392 /nfs/dbraw/zinc/03/03/92/386030392.db2.gz RMZNMXCCGQLDGC-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CCOC ZINC000414191653 386030803 /nfs/dbraw/zinc/03/08/03/386030803.db2.gz GVBZQHUWBTVDJR-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CCOC ZINC000414191654 386029530 /nfs/dbraw/zinc/02/95/30/386029530.db2.gz GVBZQHUWBTVDJR-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CCOC ZINC000414191656 191457046 /nfs/dbraw/zinc/45/70/46/191457046.db2.gz GVBZQHUWBTVDJR-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CCOC ZINC000414191657 386029420 /nfs/dbraw/zinc/02/94/20/386029420.db2.gz GVBZQHUWBTVDJR-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)cs1 ZINC000414192220 386030924 /nfs/dbraw/zinc/03/09/24/386030924.db2.gz UYDXSNIDDGWYKA-YUSALJHKSA-N 1 0 238.400 3.537 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000414192941 386033151 /nfs/dbraw/zinc/03/31/51/386033151.db2.gz HZIBCNDVTFTMJY-DOMZBBRYSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000414192943 386033034 /nfs/dbraw/zinc/03/30/34/386033034.db2.gz HZIBCNDVTFTMJY-IUODEOHRSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000414192945 386032346 /nfs/dbraw/zinc/03/23/46/386032346.db2.gz HZIBCNDVTFTMJY-SWLSCSKDSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000414192948 386033048 /nfs/dbraw/zinc/03/30/48/386033048.db2.gz HZIBCNDVTFTMJY-WFASDCNBSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000414193554 386032405 /nfs/dbraw/zinc/03/24/05/386032405.db2.gz IHOZCWSZKHCCHU-DOMZBBRYSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000414193556 386033601 /nfs/dbraw/zinc/03/36/01/386033601.db2.gz IHOZCWSZKHCCHU-IUODEOHRSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000414193559 386032425 /nfs/dbraw/zinc/03/24/25/386032425.db2.gz IHOZCWSZKHCCHU-SWLSCSKDSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000414193561 386033656 /nfs/dbraw/zinc/03/36/56/386033656.db2.gz IHOZCWSZKHCCHU-WFASDCNBSA-N 1 0 249.398 3.627 20 0 BHADRO C1CC(C2([NH2+]C3CCCCC3)CCC2)C1 ZINC000414193580 386032496 /nfs/dbraw/zinc/03/24/96/386032496.db2.gz UFWUTPUYUNIDQE-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000414193692 386033335 /nfs/dbraw/zinc/03/33/35/386033335.db2.gz ILJNDLDBHWXWDV-DOMZBBRYSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000414193694 191457842 /nfs/dbraw/zinc/45/78/42/191457842.db2.gz ILJNDLDBHWXWDV-IUODEOHRSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000414193696 386033145 /nfs/dbraw/zinc/03/31/45/386033145.db2.gz ILJNDLDBHWXWDV-SWLSCSKDSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000414193698 386033592 /nfs/dbraw/zinc/03/35/92/386033592.db2.gz ILJNDLDBHWXWDV-WFASDCNBSA-N 1 0 249.398 3.627 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194480 386033402 /nfs/dbraw/zinc/03/34/02/386033402.db2.gz VNLCANRHHXRTQZ-GXTWGEPZSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194489 386031722 /nfs/dbraw/zinc/03/17/22/386031722.db2.gz VNLCANRHHXRTQZ-JSGCOSHPSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194492 386032179 /nfs/dbraw/zinc/03/21/79/386032179.db2.gz VNLCANRHHXRTQZ-OCCSQVGLSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194493 386032275 /nfs/dbraw/zinc/03/22/75/386032275.db2.gz VNLCANRHHXRTQZ-TZMCWYRMSA-N 1 0 249.402 3.650 20 0 BHADRO CC[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccncc1 ZINC000414197422 386035274 /nfs/dbraw/zinc/03/52/74/386035274.db2.gz WLJJCIJCUYNXBT-HNNXBMFYSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccncc1 ZINC000414197424 386034550 /nfs/dbraw/zinc/03/45/50/386034550.db2.gz WLJJCIJCUYNXBT-OAHLLOKOSA-N 1 0 244.382 3.845 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000414198407 386035954 /nfs/dbraw/zinc/03/59/54/386035954.db2.gz ZLCSSBIYXPQTHF-GZBFAFLISA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000414198409 386034851 /nfs/dbraw/zinc/03/48/51/386034851.db2.gz ZLCSSBIYXPQTHF-UMVBOHGHSA-N 1 0 249.402 3.549 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1ccco1 ZINC000414199109 386035033 /nfs/dbraw/zinc/03/50/33/386035033.db2.gz QOPRMCOBSXGANF-FPMFFAJLSA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1ccco1 ZINC000414199111 191458012 /nfs/dbraw/zinc/45/80/12/191458012.db2.gz QOPRMCOBSXGANF-IACUBPJLSA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1ccco1 ZINC000414199112 191458664 /nfs/dbraw/zinc/45/86/64/191458664.db2.gz QOPRMCOBSXGANF-UBHSHLNASA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1ccco1 ZINC000414199114 386034430 /nfs/dbraw/zinc/03/44/30/386034430.db2.gz QOPRMCOBSXGANF-YUTCNCBUSA-N 1 0 233.355 3.757 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000414199547 386035811 /nfs/dbraw/zinc/03/58/11/386035811.db2.gz XMWIRVCEKXUFEZ-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000414199551 386034773 /nfs/dbraw/zinc/03/47/73/386034773.db2.gz XMWIRVCEKXUFEZ-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccccc1 ZINC000414200005 386037694 /nfs/dbraw/zinc/03/76/94/386037694.db2.gz LHUAFLMDBHSOSB-GDBMZVCRSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccccc1 ZINC000414200007 386037212 /nfs/dbraw/zinc/03/72/12/386037212.db2.gz LHUAFLMDBHSOSB-GOEBONIOSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccccc1 ZINC000414200009 191459596 /nfs/dbraw/zinc/45/95/96/191459596.db2.gz LHUAFLMDBHSOSB-HOCLYGCPSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CCOC)c1ccccc1 ZINC000414200011 191460019 /nfs/dbraw/zinc/46/00/19/191460019.db2.gz LHUAFLMDBHSOSB-ZBFHGGJFSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000414200757 386037172 /nfs/dbraw/zinc/03/71/72/386037172.db2.gz DKCVWJDUEPENSY-BMFZPTHFSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000414200765 386037006 /nfs/dbraw/zinc/03/70/06/386037006.db2.gz DKCVWJDUEPENSY-IMJJTQAJSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000414201000 386036808 /nfs/dbraw/zinc/03/68/08/386036808.db2.gz XZWMKAJFMLMBCU-CABNGKKXSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000414201017 191459402 /nfs/dbraw/zinc/45/94/02/191459402.db2.gz XZWMKAJFMLMBCU-SAXRGWBVSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000414201020 386037596 /nfs/dbraw/zinc/03/75/96/386037596.db2.gz XZWMKAJFMLMBCU-VZZFWQQMSA-N 1 0 235.396 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000414201022 386037796 /nfs/dbraw/zinc/03/77/96/386037796.db2.gz XZWMKAJFMLMBCU-YXCITZCRSA-N 1 0 235.396 3.977 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cncc(F)c1 ZINC000414201183 386038112 /nfs/dbraw/zinc/03/81/12/386038112.db2.gz YFZALKFESSHHOH-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cncc(F)c1 ZINC000414201184 386036856 /nfs/dbraw/zinc/03/68/56/386036856.db2.gz YFZALKFESSHHOH-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(C)cc1 ZINC000414201231 191459816 /nfs/dbraw/zinc/45/98/16/191459816.db2.gz MAGSVUFAGBBINH-GDBMZVCRSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C)cc1 ZINC000414201233 386036614 /nfs/dbraw/zinc/03/66/14/386036614.db2.gz MAGSVUFAGBBINH-GOEBONIOSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C)cc1 ZINC000414201234 191460008 /nfs/dbraw/zinc/46/00/08/191460008.db2.gz MAGSVUFAGBBINH-HOCLYGCPSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(C)cc1 ZINC000414201236 386037058 /nfs/dbraw/zinc/03/70/58/386037058.db2.gz MAGSVUFAGBBINH-ZBFHGGJFSA-N 1 0 249.398 3.708 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccccc1 ZINC000414201421 386037504 /nfs/dbraw/zinc/03/75/04/386037504.db2.gz DWJMQNGRDZKYSG-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccccc1 ZINC000414201424 386037292 /nfs/dbraw/zinc/03/72/92/386037292.db2.gz DWJMQNGRDZKYSG-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000414201484 191460124 /nfs/dbraw/zinc/46/01/24/191460124.db2.gz FCQMTJLONRGTEU-BMFZPTHFSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000414201493 386037532 /nfs/dbraw/zinc/03/75/32/386037532.db2.gz FCQMTJLONRGTEU-IMJJTQAJSA-N 1 0 247.382 3.522 20 0 BHADRO COCC[C@H](C)C[NH2+]C(CC(C)C)CC(C)C ZINC000414203757 386039475 /nfs/dbraw/zinc/03/94/75/386039475.db2.gz NPACGYSMQNMKNK-AWEZNQCLSA-N 1 0 243.435 3.709 20 0 BHADRO COCC[C@@H](C)C[NH2+]C(CC(C)C)CC(C)C ZINC000414203768 386039418 /nfs/dbraw/zinc/03/94/18/386039418.db2.gz NPACGYSMQNMKNK-CQSZACIVSA-N 1 0 243.435 3.709 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1cccc(C)c1 ZINC000414203791 386041388 /nfs/dbraw/zinc/04/13/88/386041388.db2.gz FMDPJNJIDPMOGQ-GDBMZVCRSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cccc(C)c1 ZINC000414203793 191461134 /nfs/dbraw/zinc/46/11/34/191461134.db2.gz FMDPJNJIDPMOGQ-GOEBONIOSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1cccc(C)c1 ZINC000414203795 386040660 /nfs/dbraw/zinc/04/06/60/386040660.db2.gz FMDPJNJIDPMOGQ-HOCLYGCPSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1cccc(C)c1 ZINC000414203798 191461268 /nfs/dbraw/zinc/46/12/68/191461268.db2.gz FMDPJNJIDPMOGQ-ZBFHGGJFSA-N 1 0 249.398 3.708 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1ccncc1 ZINC000414203960 191461279 /nfs/dbraw/zinc/46/12/79/191461279.db2.gz VUOFQDZJFAFJEL-APHBMKBZSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1ccncc1 ZINC000414203962 386040711 /nfs/dbraw/zinc/04/07/11/386040711.db2.gz VUOFQDZJFAFJEL-MAZHCROVSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1ccncc1 ZINC000414203963 191461358 /nfs/dbraw/zinc/46/13/58/191461358.db2.gz VUOFQDZJFAFJEL-RCBQFDQVSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1ccncc1 ZINC000414203964 191460328 /nfs/dbraw/zinc/46/03/28/191460328.db2.gz VUOFQDZJFAFJEL-VBNZEHGJSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1ccccn1 ZINC000414204172 386040561 /nfs/dbraw/zinc/04/05/61/386040561.db2.gz WBFFBPXVMBAYKD-AEGPPILISA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1ccccn1 ZINC000414204176 386040978 /nfs/dbraw/zinc/04/09/78/386040978.db2.gz WBFFBPXVMBAYKD-CFVMTHIKSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1ccccn1 ZINC000414204179 386040752 /nfs/dbraw/zinc/04/07/52/386040752.db2.gz WBFFBPXVMBAYKD-NWANDNLSSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1ccccn1 ZINC000414204183 191460509 /nfs/dbraw/zinc/46/05/09/191460509.db2.gz WBFFBPXVMBAYKD-QEJZJMRPSA-N 1 0 244.382 3.559 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@@H](C)CCOC)CC1 ZINC000414204231 191461021 /nfs/dbraw/zinc/46/10/21/191461021.db2.gz OAUPQQMNQBZPMB-NFOMZHRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@H](C)CCOC)CC1 ZINC000414204234 386040372 /nfs/dbraw/zinc/04/03/72/386040372.db2.gz OAUPQQMNQBZPMB-WLYUNCDWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)C1CCCCC1 ZINC000414204833 386042978 /nfs/dbraw/zinc/04/29/78/386042978.db2.gz OORWZFXPVRTVPN-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CCOC)C1CCCCC1 ZINC000414204834 386042257 /nfs/dbraw/zinc/04/22/57/386042257.db2.gz OORWZFXPVRTVPN-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CCOC)C1CCCCC1 ZINC000414204837 386042903 /nfs/dbraw/zinc/04/29/03/386042903.db2.gz OORWZFXPVRTVPN-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CCOC)C1CCCCC1 ZINC000414204838 386043450 /nfs/dbraw/zinc/04/34/50/386043450.db2.gz OORWZFXPVRTVPN-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CCOC)C1CCCC1 ZINC000414205126 191462215 /nfs/dbraw/zinc/46/22/15/191462215.db2.gz GRYWYKAGKCAONP-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CCOC)C1CCCC1 ZINC000414205127 191461674 /nfs/dbraw/zinc/46/16/74/191461674.db2.gz GRYWYKAGKCAONP-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CCOC)C1CCCC1 ZINC000414205128 386043558 /nfs/dbraw/zinc/04/35/58/386043558.db2.gz GRYWYKAGKCAONP-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CCOC)C1CCCC1 ZINC000414205129 191461773 /nfs/dbraw/zinc/46/17/73/191461773.db2.gz GRYWYKAGKCAONP-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000414205579 191467722 /nfs/dbraw/zinc/46/77/22/191467722.db2.gz ISRNVTIXNGIKSU-BMFZPTHFSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000414205580 386059403 /nfs/dbraw/zinc/05/94/03/386059403.db2.gz ISRNVTIXNGIKSU-IMJJTQAJSA-N 1 0 247.382 3.522 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000414206320 386059791 /nfs/dbraw/zinc/05/97/91/386059791.db2.gz PUOPDIBUNXAOBR-KKUMJFAQSA-N 1 0 243.435 3.709 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000414206344 386058698 /nfs/dbraw/zinc/05/86/98/386058698.db2.gz PUOPDIBUNXAOBR-RRFJBIMHSA-N 1 0 243.435 3.709 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000414206345 191468191 /nfs/dbraw/zinc/46/81/91/191468191.db2.gz PUOPDIBUNXAOBR-SOUVJXGZSA-N 1 0 243.435 3.709 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000414206347 386059831 /nfs/dbraw/zinc/05/98/31/386059831.db2.gz PUOPDIBUNXAOBR-ZNMIVQPWSA-N 1 0 243.435 3.709 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1cccnc1 ZINC000414206719 386059267 /nfs/dbraw/zinc/05/92/67/386059267.db2.gz YWXMIRAJPPLWKB-APHBMKBZSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1cccnc1 ZINC000414206721 386059863 /nfs/dbraw/zinc/05/98/63/386059863.db2.gz YWXMIRAJPPLWKB-MAZHCROVSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1cccnc1 ZINC000414206724 191468331 /nfs/dbraw/zinc/46/83/31/191468331.db2.gz YWXMIRAJPPLWKB-RCBQFDQVSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1cccnc1 ZINC000414206725 386059170 /nfs/dbraw/zinc/05/91/70/386059170.db2.gz YWXMIRAJPPLWKB-VBNZEHGJSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc(C)c1 ZINC000414208898 386063160 /nfs/dbraw/zinc/06/31/60/386063160.db2.gz LZJWVFWSOGLEAP-OAGGEKHMSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc(C)c1 ZINC000414208900 386062933 /nfs/dbraw/zinc/06/29/33/386062933.db2.gz LZJWVFWSOGLEAP-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000414209039 386062430 /nfs/dbraw/zinc/06/24/30/386062430.db2.gz SEUKCLLGYVGZMA-GDBMZVCRSA-N 1 0 249.398 3.646 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000414209041 386062981 /nfs/dbraw/zinc/06/29/81/386062981.db2.gz SEUKCLLGYVGZMA-GOEBONIOSA-N 1 0 249.398 3.646 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000414209043 386062939 /nfs/dbraw/zinc/06/29/39/386062939.db2.gz SEUKCLLGYVGZMA-HOCLYGCPSA-N 1 0 249.398 3.646 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000414209046 386063219 /nfs/dbraw/zinc/06/32/19/386063219.db2.gz SEUKCLLGYVGZMA-ZBFHGGJFSA-N 1 0 249.398 3.646 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000414210559 191469385 /nfs/dbraw/zinc/46/93/85/191469385.db2.gz UNSSUUYBCDPCLK-DZGCQCFKSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000414210562 386064601 /nfs/dbraw/zinc/06/46/01/386064601.db2.gz UNSSUUYBCDPCLK-HIFRSBDPSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000414210565 386064783 /nfs/dbraw/zinc/06/47/83/386064783.db2.gz UNSSUUYBCDPCLK-UKRRQHHQSA-N 1 0 249.398 3.627 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000414210568 386065188 /nfs/dbraw/zinc/06/51/88/386065188.db2.gz UNSSUUYBCDPCLK-ZFWWWQNUSA-N 1 0 249.398 3.627 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCCOC)C1CCCC1 ZINC000414213003 386068278 /nfs/dbraw/zinc/06/82/78/386068278.db2.gz QPTJENMFPMROCG-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCCOC)C1CCCC1 ZINC000414213005 386068873 /nfs/dbraw/zinc/06/88/73/386068873.db2.gz QPTJENMFPMROCG-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCCOC)C1CCCC1 ZINC000414213007 386068699 /nfs/dbraw/zinc/06/86/99/386068699.db2.gz QPTJENMFPMROCG-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCCOC)C1CCCC1 ZINC000414213008 386067723 /nfs/dbraw/zinc/06/77/23/386067723.db2.gz QPTJENMFPMROCG-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC1CCC([NH2+]C[C@@H](C)CCOC)CC1 ZINC000414214514 386071485 /nfs/dbraw/zinc/07/14/85/386071485.db2.gz ZEAFTYOBGWAJBM-NFOMZHRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC1CCC([NH2+]C[C@H](C)CCOC)CC1 ZINC000414214515 386069629 /nfs/dbraw/zinc/06/96/29/386069629.db2.gz ZEAFTYOBGWAJBM-WLYUNCDWSA-N 1 0 241.419 3.608 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000414214848 386071384 /nfs/dbraw/zinc/07/13/84/386071384.db2.gz ZGURWRWWMHHGAT-KBPBESRZSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000414214849 386071314 /nfs/dbraw/zinc/07/13/14/386071314.db2.gz ZGURWRWWMHHGAT-KGLIPLIRSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000414214850 386071432 /nfs/dbraw/zinc/07/14/32/386071432.db2.gz ZGURWRWWMHHGAT-UONOGXRCSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000414214851 386070695 /nfs/dbraw/zinc/07/06/95/386070695.db2.gz ZGURWRWWMHHGAT-ZIAGYGMSSA-N 1 0 249.398 3.572 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000414214889 386071146 /nfs/dbraw/zinc/07/11/46/386071146.db2.gz ZMZKRKVDLYRIOB-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000414214890 386070955 /nfs/dbraw/zinc/07/09/55/386070955.db2.gz ZMZKRKVDLYRIOB-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000414214891 386071168 /nfs/dbraw/zinc/07/11/68/386071168.db2.gz ZMZKRKVDLYRIOB-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000414214892 191471140 /nfs/dbraw/zinc/47/11/40/191471140.db2.gz ZMZKRKVDLYRIOB-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(C)cc1 ZINC000414216081 191470823 /nfs/dbraw/zinc/47/08/23/191470823.db2.gz VAYFKLKHQYRVNR-OAGGEKHMSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(C)cc1 ZINC000414216082 386071363 /nfs/dbraw/zinc/07/13/63/386071363.db2.gz VAYFKLKHQYRVNR-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216613 386072571 /nfs/dbraw/zinc/07/25/71/386072571.db2.gz WQUVIZAKWMTNTE-FVCCEPFGSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216614 386072554 /nfs/dbraw/zinc/07/25/54/386072554.db2.gz WQUVIZAKWMTNTE-NDBYEHHHSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216615 191471219 /nfs/dbraw/zinc/47/12/19/191471219.db2.gz WQUVIZAKWMTNTE-QNWHQSFQSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216616 386073334 /nfs/dbraw/zinc/07/33/34/386073334.db2.gz WQUVIZAKWMTNTE-RNJOBUHISA-N 1 0 235.396 3.896 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216723 386071949 /nfs/dbraw/zinc/07/19/49/386071949.db2.gz XBHTVZFVOGVUGC-BWAGICSOSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216724 386073300 /nfs/dbraw/zinc/07/33/00/386073300.db2.gz XBHTVZFVOGVUGC-CXOGBFNASA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216725 191472596 /nfs/dbraw/zinc/47/25/96/191472596.db2.gz XBHTVZFVOGVUGC-GCUJQHFUSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414216727 386072368 /nfs/dbraw/zinc/07/23/68/386072368.db2.gz XBHTVZFVOGVUGC-NWLYGAKOSA-N 1 0 245.341 3.591 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000414217919 386072535 /nfs/dbraw/zinc/07/25/35/386072535.db2.gz YYTVLXKAKVUNKM-MHDGFBEUSA-N 1 0 233.355 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000414217921 191472861 /nfs/dbraw/zinc/47/28/61/191472861.db2.gz YYTVLXKAKVUNKM-RFHZTLPTSA-N 1 0 233.355 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000414217923 191472401 /nfs/dbraw/zinc/47/24/01/191472401.db2.gz YYTVLXKAKVUNKM-UZGDPCLZSA-N 1 0 233.355 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000414217925 386072721 /nfs/dbraw/zinc/07/27/21/386072721.db2.gz YYTVLXKAKVUNKM-XCCSTKFXSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)c1nccs1 ZINC000414218169 386072665 /nfs/dbraw/zinc/07/26/65/386072665.db2.gz DHLJZBKYGVPILZ-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000414218367 191472704 /nfs/dbraw/zinc/47/27/04/191472704.db2.gz ZLKZHRUSLAUFCA-BMFZPTHFSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000414218373 386072244 /nfs/dbraw/zinc/07/22/44/386072244.db2.gz ZLKZHRUSLAUFCA-IMJJTQAJSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)[C@H]1CCOC1)c1ccccc1 ZINC000414218962 386072956 /nfs/dbraw/zinc/07/29/56/386072956.db2.gz GDOYJJFUQVOJMI-ARFHVFGLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)[C@@H]1CCOC1)c1ccccc1 ZINC000414218963 386072703 /nfs/dbraw/zinc/07/27/03/386072703.db2.gz GDOYJJFUQVOJMI-BZUAXINKSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)[C@@H]1CCOC1)c1ccccc1 ZINC000414218964 386072501 /nfs/dbraw/zinc/07/25/01/386072501.db2.gz GDOYJJFUQVOJMI-OAGGEKHMSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)[C@H]1CCOC1)c1ccccc1 ZINC000414218965 191472327 /nfs/dbraw/zinc/47/23/27/191472327.db2.gz GDOYJJFUQVOJMI-XHSDSOJGSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1C ZINC000414219722 386072592 /nfs/dbraw/zinc/07/25/92/386072592.db2.gz BKWZJBVKLJRORK-FPMFFAJLSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1C ZINC000414219723 386073711 /nfs/dbraw/zinc/07/37/11/386073711.db2.gz BKWZJBVKLJRORK-KWCYVHTRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1C ZINC000414219724 386073637 /nfs/dbraw/zinc/07/36/37/386073637.db2.gz BKWZJBVKLJRORK-UBHSHLNASA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1C ZINC000414219725 386072617 /nfs/dbraw/zinc/07/26/17/386072617.db2.gz BKWZJBVKLJRORK-XBFCOCLRSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)C(C)(C)C ZINC000414219745 386072767 /nfs/dbraw/zinc/07/27/67/386072767.db2.gz BMOJTSAIJWTARX-GFCCVEGCSA-N 1 0 248.414 3.903 20 0 BHADRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)C(C)(C)C ZINC000414219746 386072847 /nfs/dbraw/zinc/07/28/47/386072847.db2.gz BMOJTSAIJWTARX-LBPRGKRZSA-N 1 0 248.414 3.903 20 0 BHADRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC1(C)C ZINC000414220096 191472813 /nfs/dbraw/zinc/47/28/13/191472813.db2.gz BRHSRNHFLUWYNT-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC1(C)C ZINC000414220098 191472774 /nfs/dbraw/zinc/47/27/74/191472774.db2.gz BRHSRNHFLUWYNT-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H]1C ZINC000414220136 191472584 /nfs/dbraw/zinc/47/25/84/191472584.db2.gz BTPJXLZTGWVTPS-JMSVASOKSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H]1C ZINC000414220138 386072696 /nfs/dbraw/zinc/07/26/96/386072696.db2.gz BTPJXLZTGWVTPS-LALPHHSUSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H]1C ZINC000414220140 386073249 /nfs/dbraw/zinc/07/32/49/386073249.db2.gz BTPJXLZTGWVTPS-TYNCELHUSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H]1C ZINC000414220142 200748170 /nfs/dbraw/zinc/74/81/70/200748170.db2.gz BTPJXLZTGWVTPS-XUJVJEKNSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000414220424 386072049 /nfs/dbraw/zinc/07/20/49/386072049.db2.gz JHDFOFCRIASBMP-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000414220428 386073408 /nfs/dbraw/zinc/07/34/08/386073408.db2.gz JHDFOFCRIASBMP-HBNTYKKESA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414220970 386072528 /nfs/dbraw/zinc/07/25/28/386072528.db2.gz CQQOKRVCMWHYLS-BHPKHCPMSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000414220972 386072236 /nfs/dbraw/zinc/07/22/36/386072236.db2.gz CQQOKRVCMWHYLS-COMQUAJESA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414220974 386072431 /nfs/dbraw/zinc/07/24/31/386072431.db2.gz CQQOKRVCMWHYLS-CXTNEJHOSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414220977 386073318 /nfs/dbraw/zinc/07/33/18/386073318.db2.gz CQQOKRVCMWHYLS-OSFYFWSMSA-N 1 0 249.423 3.662 20 0 BHADRO CC(C)(C)c1ccncc1C[NH2+]C1CC(C)(C)C1 ZINC000414221482 191472301 /nfs/dbraw/zinc/47/23/01/191472301.db2.gz DFYYTJMHICPXMA-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)C1CCC1 ZINC000414221533 386072217 /nfs/dbraw/zinc/07/22/17/386072217.db2.gz DHVTZRPZXOJASS-GFCCVEGCSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)C1CCC1 ZINC000414221534 386072165 /nfs/dbraw/zinc/07/21/65/386072165.db2.gz DHVTZRPZXOJASS-LBPRGKRZSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000414223030 386074467 /nfs/dbraw/zinc/07/44/67/386074467.db2.gz OERSOVPWTSLLDT-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000414223031 191473124 /nfs/dbraw/zinc/47/31/24/191473124.db2.gz OERSOVPWTSLLDT-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000414223032 386075274 /nfs/dbraw/zinc/07/52/74/386075274.db2.gz OERSOVPWTSLLDT-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000414223033 386075526 /nfs/dbraw/zinc/07/55/26/386075526.db2.gz OERSOVPWTSLLDT-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000414225292 386076010 /nfs/dbraw/zinc/07/60/10/386076010.db2.gz IUSVXSMDZCMSTO-IOASZLSFSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000414225294 386075914 /nfs/dbraw/zinc/07/59/14/386075914.db2.gz IUSVXSMDZCMSTO-WWGRRREGSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000414225295 386074781 /nfs/dbraw/zinc/07/47/81/386074781.db2.gz IUSVXSMDZCMSTO-XEZPLFJOSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000414225297 386075337 /nfs/dbraw/zinc/07/53/37/386075337.db2.gz IUSVXSMDZCMSTO-ZENOOKHLSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@](C)([C@@H](C)[NH2+]C1CCCCCC1)C1CC1 ZINC000414227883 386078193 /nfs/dbraw/zinc/07/81/93/386078193.db2.gz LDHSBWDJJILGJD-DOMZBBRYSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@](C)([C@@H](C)[NH2+]C1CCCCCC1)C1CC1 ZINC000414227884 386076773 /nfs/dbraw/zinc/07/67/73/386076773.db2.gz LDHSBWDJJILGJD-IUODEOHRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@](C)([C@H](C)[NH2+]C1CCCCCC1)C1CC1 ZINC000414227886 386078266 /nfs/dbraw/zinc/07/82/66/386078266.db2.gz LDHSBWDJJILGJD-SWLSCSKDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@](C)([C@H](C)[NH2+]C1CCCCCC1)C1CC1 ZINC000414227887 191473859 /nfs/dbraw/zinc/47/38/59/191473859.db2.gz LDHSBWDJJILGJD-WFASDCNBSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)C1(C)CC1 ZINC000414228017 386076847 /nfs/dbraw/zinc/07/68/47/386076847.db2.gz LIQBAENTDFCVCE-GFCCVEGCSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)C1(C)CC1 ZINC000414228019 191473499 /nfs/dbraw/zinc/47/34/99/191473499.db2.gz LIQBAENTDFCVCE-LBPRGKRZSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@H]1C)c1nccs1 ZINC000414228234 191473399 /nfs/dbraw/zinc/47/33/99/191473399.db2.gz XPOWOMMLZUIRSI-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)[C@H]1C[C@H]1C ZINC000414230770 386077715 /nfs/dbraw/zinc/07/77/15/386077715.db2.gz OGXCBZGOVKKXML-BZPMIXESSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)[C@H]1C[C@H]1C ZINC000414230772 191474711 /nfs/dbraw/zinc/47/47/11/191474711.db2.gz OGXCBZGOVKKXML-DYEKYZERSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)[C@@H]1C[C@H]1C ZINC000414230774 386077250 /nfs/dbraw/zinc/07/72/50/386077250.db2.gz OGXCBZGOVKKXML-MBNYWOFBSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)[C@@H]1C[C@H]1C ZINC000414230776 191474494 /nfs/dbraw/zinc/47/44/94/191474494.db2.gz OGXCBZGOVKKXML-YRGRVCCFSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414231575 191474830 /nfs/dbraw/zinc/47/48/30/191474830.db2.gz PKGQXADSCVNHJL-GFCCVEGCSA-N 1 0 234.387 3.513 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414231576 386076793 /nfs/dbraw/zinc/07/67/93/386076793.db2.gz PKGQXADSCVNHJL-LBPRGKRZSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1cc(C[NH2+]C(C)C)ccc1C(F)(F)F ZINC000414231886 386077430 /nfs/dbraw/zinc/07/74/30/386077430.db2.gz AAPICPADHVTICT-UHFFFAOYSA-N 1 0 231.261 3.512 20 0 BHADRO CCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414231911 191474461 /nfs/dbraw/zinc/47/44/61/191474461.db2.gz AFNSCYHPFQPZGG-UHFFFAOYSA-N 1 0 231.261 3.513 20 0 BHADRO CC(C)(C)c1ccncc1C[NH2+]C1CCCCC1 ZINC000414232425 386077372 /nfs/dbraw/zinc/07/73/72/386077372.db2.gz PXXYTDDXWUSJCV-UHFFFAOYSA-N 1 0 246.398 3.801 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414232888 386077939 /nfs/dbraw/zinc/07/79/39/386077939.db2.gz QPZQSUNPZSUAGB-GFCCVEGCSA-N 1 0 234.387 3.657 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414232891 191474188 /nfs/dbraw/zinc/47/41/88/191474188.db2.gz QPZQSUNPZSUAGB-LBPRGKRZSA-N 1 0 234.387 3.657 20 0 BHADRO CCC1CC([NH2+]Cc2cnccc2C(C)(C)C)C1 ZINC000414233554 191474578 /nfs/dbraw/zinc/47/45/78/191474578.db2.gz RHMKDYVJDQPKOS-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000414234356 386079509 /nfs/dbraw/zinc/07/95/09/386079509.db2.gz JCRNHKJZTGULCI-HUBLWGQQSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000414234358 386080687 /nfs/dbraw/zinc/08/06/87/386080687.db2.gz JCRNHKJZTGULCI-JMSVASOKSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000414234360 386080073 /nfs/dbraw/zinc/08/00/73/386080073.db2.gz JCRNHKJZTGULCI-XUJVJEKNSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000414234361 386080455 /nfs/dbraw/zinc/08/04/55/386080455.db2.gz JCRNHKJZTGULCI-ZOWXZIJZSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C1 ZINC000414234513 386080059 /nfs/dbraw/zinc/08/00/59/386080059.db2.gz SNOBXIKJXHWWAA-GXTWGEPZSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C1 ZINC000414234515 386080542 /nfs/dbraw/zinc/08/05/42/386080542.db2.gz SNOBXIKJXHWWAA-JSGCOSHPSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C1 ZINC000414234517 386079743 /nfs/dbraw/zinc/07/97/43/386079743.db2.gz SNOBXIKJXHWWAA-OCCSQVGLSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C1 ZINC000414234518 191474809 /nfs/dbraw/zinc/47/48/09/191474809.db2.gz SNOBXIKJXHWWAA-TZMCWYRMSA-N 1 0 246.398 3.657 20 0 BHADRO CCC(CC)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414234849 386050725 /nfs/dbraw/zinc/05/07/25/386050725.db2.gz SSMXBVBPKOQITG-UHFFFAOYSA-N 1 0 234.387 3.657 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1 ZINC000414235380 386051116 /nfs/dbraw/zinc/05/11/16/386051116.db2.gz DKIYDUPLVYDAMB-CYBMUJFWSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1 ZINC000414235382 386050575 /nfs/dbraw/zinc/05/05/75/386050575.db2.gz DKIYDUPLVYDAMB-ZDUSSCGKSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C[NH2+]C1CCCCCC1)OCC1CC1 ZINC000414236163 386052008 /nfs/dbraw/zinc/05/20/08/386052008.db2.gz FLNWCCYSLPUIAI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236428 386051836 /nfs/dbraw/zinc/05/18/36/386051836.db2.gz VPWQNJSIKTYOJF-GFCCVEGCSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236431 386051784 /nfs/dbraw/zinc/05/17/84/386051784.db2.gz VPWQNJSIKTYOJF-LBPRGKRZSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)C1CC1 ZINC000414236458 386052134 /nfs/dbraw/zinc/05/21/34/386052134.db2.gz VRBDFNRUEOXEMP-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)C1CC1 ZINC000414236461 191464954 /nfs/dbraw/zinc/46/49/54/191464954.db2.gz VRBDFNRUEOXEMP-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236906 386053456 /nfs/dbraw/zinc/05/34/56/386053456.db2.gz WCJRVWFMAPBQFF-DOMZBBRYSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236907 386053185 /nfs/dbraw/zinc/05/31/85/386053185.db2.gz WCJRVWFMAPBQFF-IUODEOHRSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236908 191465230 /nfs/dbraw/zinc/46/52/30/191465230.db2.gz WCJRVWFMAPBQFF-SWLSCSKDSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414236909 386052162 /nfs/dbraw/zinc/05/21/62/386052162.db2.gz WCJRVWFMAPBQFF-WFASDCNBSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414239062 386052276 /nfs/dbraw/zinc/05/22/76/386052276.db2.gz YLCBSAOBSJWSFO-AVGNSLFASA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414239065 386053465 /nfs/dbraw/zinc/05/34/65/386053465.db2.gz YLCBSAOBSJWSFO-RWMBFGLXSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414239067 386052948 /nfs/dbraw/zinc/05/29/48/386052948.db2.gz YLCBSAOBSJWSFO-XQQFMLRXSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414239069 386051993 /nfs/dbraw/zinc/05/19/93/386051993.db2.gz YLCBSAOBSJWSFO-YNEHKIRRSA-N 1 0 227.417 3.605 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239357 386052473 /nfs/dbraw/zinc/05/24/73/386052473.db2.gz YNNVDUWZAJHVTO-DOMZBBRYSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239359 386051891 /nfs/dbraw/zinc/05/18/91/386051891.db2.gz YNNVDUWZAJHVTO-IUODEOHRSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239361 386052823 /nfs/dbraw/zinc/05/28/23/386052823.db2.gz YNNVDUWZAJHVTO-SWLSCSKDSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239363 191465685 /nfs/dbraw/zinc/46/56/85/191465685.db2.gz YNNVDUWZAJHVTO-WFASDCNBSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1CC)CC(F)(F)F ZINC000414246836 386057213 /nfs/dbraw/zinc/05/72/13/386057213.db2.gz DAUOADBPXBIPLG-AXFHLTTASA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1CC)CC(F)(F)F ZINC000414246839 386057997 /nfs/dbraw/zinc/05/79/97/386057997.db2.gz DAUOADBPXBIPLG-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1CC)CC(F)(F)F ZINC000414246841 191467553 /nfs/dbraw/zinc/46/75/53/191467553.db2.gz DAUOADBPXBIPLG-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1CC)CC(F)(F)F ZINC000414246844 386056733 /nfs/dbraw/zinc/05/67/33/386056733.db2.gz DAUOADBPXBIPLG-HBNTYKKESA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)C(C)(C)C ZINC000414247633 191467185 /nfs/dbraw/zinc/46/71/85/191467185.db2.gz CSZLFUVQBFGMOJ-CRWXNKLISA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)C(C)(C)C ZINC000414247634 386057955 /nfs/dbraw/zinc/05/79/55/386057955.db2.gz CSZLFUVQBFGMOJ-MQYQWHSLSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)C(C)(C)C ZINC000414247636 386057159 /nfs/dbraw/zinc/05/71/59/386057159.db2.gz CSZLFUVQBFGMOJ-RFGFWPKPSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)C(C)(C)C ZINC000414247638 386056774 /nfs/dbraw/zinc/05/67/74/386056774.db2.gz CSZLFUVQBFGMOJ-XUXIUFHCSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)CC(F)(F)F ZINC000414250857 487800209 /nfs/dbraw/zinc/80/02/09/487800209.db2.gz HSYVYHFYZVEAOM-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)CC(F)(F)F ZINC000414250858 487800149 /nfs/dbraw/zinc/80/01/49/487800149.db2.gz HSYVYHFYZVEAOM-MVWJERBFSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)CC(F)(F)F ZINC000414250860 487800325 /nfs/dbraw/zinc/80/03/25/487800325.db2.gz HSYVYHFYZVEAOM-WCQGTBRESA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)CC(F)(F)F ZINC000414250861 487800013 /nfs/dbraw/zinc/80/00/13/487800013.db2.gz HSYVYHFYZVEAOM-ZMLRMANQSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)(C)CC1)c1ncc[nH]1 ZINC000414251397 487799987 /nfs/dbraw/zinc/79/99/87/487799987.db2.gz SACATWJWPOBJHU-GFCCVEGCSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)(C)CC1)c1ncc[nH]1 ZINC000414251399 487800140 /nfs/dbraw/zinc/80/01/40/487800140.db2.gz SACATWJWPOBJHU-LBPRGKRZSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(CC)C1)CC(F)(F)F ZINC000414252770 200748156 /nfs/dbraw/zinc/74/81/56/200748156.db2.gz IYUGWCRNYUVBBK-HSOILSAZSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](C[NH2+]C1CC(CC)C1)CC(F)(F)F ZINC000414252772 386059817 /nfs/dbraw/zinc/05/98/17/386059817.db2.gz IYUGWCRNYUVBBK-YVNMAJEFSA-N 1 0 237.309 3.743 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414255423 386080814 /nfs/dbraw/zinc/08/08/14/386080814.db2.gz JOGJSEBEOOWALF-AICCOOGYSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414255424 386080044 /nfs/dbraw/zinc/08/00/44/386080044.db2.gz JOGJSEBEOOWALF-LXFSFDBISA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414255425 386080332 /nfs/dbraw/zinc/08/03/32/386080332.db2.gz JOGJSEBEOOWALF-YTFOTSKYSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414255426 386079937 /nfs/dbraw/zinc/07/99/37/386079937.db2.gz JOGJSEBEOOWALF-ZQNQSHIBSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)CC(F)(F)F ZINC000414257590 386082078 /nfs/dbraw/zinc/08/20/78/386082078.db2.gz FLECUGRPBATCGW-NNYUYHANSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)CC(F)(F)F ZINC000414257594 386083075 /nfs/dbraw/zinc/08/30/75/386083075.db2.gz FLECUGRPBATCGW-QCNOEVLYSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414259920 386082065 /nfs/dbraw/zinc/08/20/65/386082065.db2.gz GCDDWSLIZIATEO-AJNGGQMLSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414259922 386082838 /nfs/dbraw/zinc/08/28/38/386082838.db2.gz GCDDWSLIZIATEO-XGUBFFRZSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414259924 191476751 /nfs/dbraw/zinc/47/67/51/191476751.db2.gz GCDDWSLIZIATEO-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414259925 386081895 /nfs/dbraw/zinc/08/18/95/386081895.db2.gz GCDDWSLIZIATEO-YJNKXOJESA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC12CCC2)CC(F)(F)F ZINC000414264069 386084285 /nfs/dbraw/zinc/08/42/85/386084285.db2.gz PSLNJCDNJFLKKT-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC12CCC2)CC(F)(F)F ZINC000414264072 386085289 /nfs/dbraw/zinc/08/52/89/386085289.db2.gz PSLNJCDNJFLKKT-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC12CCC2)CC(F)(F)F ZINC000414264074 386084194 /nfs/dbraw/zinc/08/41/94/386084194.db2.gz PSLNJCDNJFLKKT-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC12CCC2)CC(F)(F)F ZINC000414264077 191476812 /nfs/dbraw/zinc/47/68/12/191476812.db2.gz PSLNJCDNJFLKKT-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+]C1CCC2(CC2)CC1)CC(F)(F)F ZINC000414267422 386087651 /nfs/dbraw/zinc/08/76/51/386087651.db2.gz NGDBELAVHRNIDT-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+]C1CCC2(CC2)CC1)CC(F)(F)F ZINC000414267424 191477616 /nfs/dbraw/zinc/47/76/16/191477616.db2.gz NGDBELAVHRNIDT-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)CC(F)(F)F ZINC000414269272 191477981 /nfs/dbraw/zinc/47/79/81/191477981.db2.gz OUVMGWAPVVPBHV-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCCC2)CC(F)(F)F ZINC000414269273 386087595 /nfs/dbraw/zinc/08/75/95/386087595.db2.gz OUVMGWAPVVPBHV-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCCC2)CC(F)(F)F ZINC000414269275 191477866 /nfs/dbraw/zinc/47/78/66/191477866.db2.gz OUVMGWAPVVPBHV-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCCC2)CC(F)(F)F ZINC000414269276 386086671 /nfs/dbraw/zinc/08/66/71/386086671.db2.gz OUVMGWAPVVPBHV-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414270671 191477830 /nfs/dbraw/zinc/47/78/30/191477830.db2.gz WGELPCLSQCDTAF-MQYQWHSLSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414270673 191477559 /nfs/dbraw/zinc/47/75/59/191477559.db2.gz WGELPCLSQCDTAF-RFGFWPKPSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414270675 191477864 /nfs/dbraw/zinc/47/78/64/191477864.db2.gz WGELPCLSQCDTAF-RQJABVFESA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414270677 386087769 /nfs/dbraw/zinc/08/77/69/386087769.db2.gz WGELPCLSQCDTAF-SYQHCUMBSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414274636 487801588 /nfs/dbraw/zinc/80/15/88/487801588.db2.gz VBBKAVCBMWLJFU-AXFHLTTASA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414274637 487801421 /nfs/dbraw/zinc/80/14/21/487801421.db2.gz VBBKAVCBMWLJFU-DCAQKATOSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414274638 487801528 /nfs/dbraw/zinc/80/15/28/487801528.db2.gz VBBKAVCBMWLJFU-GARJFASQSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414274639 487801232 /nfs/dbraw/zinc/80/12/32/487801232.db2.gz VBBKAVCBMWLJFU-HBNTYKKESA-N 1 0 237.309 3.599 20 0 BHADRO Cc1cc(C[NH2+]CC2CC2)ccc1C(F)(F)F ZINC000414276413 386092341 /nfs/dbraw/zinc/09/23/41/386092341.db2.gz UBFSWVSYBFXFJG-UHFFFAOYSA-N 1 0 243.272 3.513 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)CC(F)(F)F ZINC000414276695 386091122 /nfs/dbraw/zinc/09/11/22/386091122.db2.gz YLDUTGYBLCIDCM-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CC(F)(F)F ZINC000414276696 386090805 /nfs/dbraw/zinc/09/08/05/386090805.db2.gz YLDUTGYBLCIDCM-MVWJERBFSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)CC(F)(F)F ZINC000414276697 386091132 /nfs/dbraw/zinc/09/11/32/386091132.db2.gz YLDUTGYBLCIDCM-WCQGTBRESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)CC(F)(F)F ZINC000414276698 386092110 /nfs/dbraw/zinc/09/21/10/386092110.db2.gz YLDUTGYBLCIDCM-ZMLRMANQSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)CC(F)(F)F ZINC000414279944 386091853 /nfs/dbraw/zinc/09/18/53/386091853.db2.gz KGHWDEKKAYSGFM-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)CC(F)(F)F ZINC000414279945 386092026 /nfs/dbraw/zinc/09/20/26/386092026.db2.gz KGHWDEKKAYSGFM-MVWJERBFSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)CC(F)(F)F ZINC000414279946 386091357 /nfs/dbraw/zinc/09/13/57/386091357.db2.gz KGHWDEKKAYSGFM-WCQGTBRESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)CC(F)(F)F ZINC000414279947 386090882 /nfs/dbraw/zinc/09/08/82/386090882.db2.gz KGHWDEKKAYSGFM-ZMLRMANQSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c(C)o1 ZINC000414280053 386092060 /nfs/dbraw/zinc/09/20/60/386092060.db2.gz BVTWNOJRCHVAEL-LERXQTSPSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c(C)o1 ZINC000414280054 386092164 /nfs/dbraw/zinc/09/21/64/386092164.db2.gz BVTWNOJRCHVAEL-ZLKJLUDKSA-N 1 0 239.334 3.828 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1 ZINC000414281544 386094056 /nfs/dbraw/zinc/09/40/56/386094056.db2.gz GEPAYEKQRBJPIK-LERXQTSPSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1 ZINC000414281545 386094372 /nfs/dbraw/zinc/09/43/72/386094372.db2.gz GEPAYEKQRBJPIK-ZLKJLUDKSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(F)c1 ZINC000414284434 386093450 /nfs/dbraw/zinc/09/34/50/386093450.db2.gz KOBZHMXQFRARPO-LERXQTSPSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(F)c1 ZINC000414284435 386093776 /nfs/dbraw/zinc/09/37/76/386093776.db2.gz KOBZHMXQFRARPO-ZLKJLUDKSA-N 1 0 239.309 3.757 20 0 BHADRO Cc1cc(C[NH+]2CCCC2)ccc1C(F)(F)F ZINC000414284717 386096667 /nfs/dbraw/zinc/09/66/67/386096667.db2.gz RDBSPYWKXOSXCL-UHFFFAOYSA-N 1 0 243.272 3.610 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1 ZINC000414285471 386096164 /nfs/dbraw/zinc/09/61/64/386096164.db2.gz RRHDREMPFCXQLH-SDADXPQNSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000414285472 386095899 /nfs/dbraw/zinc/09/58/99/386095899.db2.gz RRHDREMPFCXQLH-VDERGJSUSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000414285473 386096800 /nfs/dbraw/zinc/09/68/00/386096800.db2.gz RRHDREMPFCXQLH-VRKREXBASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1 ZINC000414285474 191480783 /nfs/dbraw/zinc/48/07/83/191480783.db2.gz RRHDREMPFCXQLH-XRGAULLZSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414285765 386096537 /nfs/dbraw/zinc/09/65/37/386096537.db2.gz RXKLFNRUZVOLTC-AICCOOGYSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414285768 386097014 /nfs/dbraw/zinc/09/70/14/386097014.db2.gz RXKLFNRUZVOLTC-QRTUWBSPSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414285770 386096392 /nfs/dbraw/zinc/09/63/92/386096392.db2.gz RXKLFNRUZVOLTC-RMEBNNNOSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414285772 386096517 /nfs/dbraw/zinc/09/65/17/386096517.db2.gz RXKLFNRUZVOLTC-YTFOTSKYSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414288179 386099240 /nfs/dbraw/zinc/09/92/40/386099240.db2.gz UZNJLTRCWQVVQC-AICCOOGYSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414288180 386099048 /nfs/dbraw/zinc/09/90/48/386099048.db2.gz UZNJLTRCWQVVQC-QRTUWBSPSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414288181 386099526 /nfs/dbraw/zinc/09/95/26/386099526.db2.gz UZNJLTRCWQVVQC-RMEBNNNOSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414288183 386099228 /nfs/dbraw/zinc/09/92/28/386099228.db2.gz UZNJLTRCWQVVQC-YTFOTSKYSA-N 1 0 241.419 3.604 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)o1 ZINC000414289006 191481903 /nfs/dbraw/zinc/48/19/03/191481903.db2.gz QQKGNHFUUOTRHJ-CYZMBNFOSA-N 1 0 239.334 3.773 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)o1 ZINC000414289009 386097954 /nfs/dbraw/zinc/09/79/54/386097954.db2.gz QQKGNHFUUOTRHJ-RAIGVLPGSA-N 1 0 239.334 3.773 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1F ZINC000414290915 386101074 /nfs/dbraw/zinc/10/10/74/386101074.db2.gz TUNDLOSKCLWOFQ-LERXQTSPSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1F ZINC000414290918 386101348 /nfs/dbraw/zinc/10/13/48/386101348.db2.gz TUNDLOSKCLWOFQ-ZLKJLUDKSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000414291090 386101568 /nfs/dbraw/zinc/10/15/68/386101568.db2.gz ARBZTDHYLUNVKU-AEGPPILISA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1ccncc1 ZINC000414291092 386101181 /nfs/dbraw/zinc/10/11/81/386101181.db2.gz ARBZTDHYLUNVKU-CFVMTHIKSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1ccncc1 ZINC000414291094 386101176 /nfs/dbraw/zinc/10/11/76/386101176.db2.gz ARBZTDHYLUNVKU-NWANDNLSSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000414291096 386100547 /nfs/dbraw/zinc/10/05/47/386100547.db2.gz ARBZTDHYLUNVKU-QEJZJMRPSA-N 1 0 246.398 3.947 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000414291958 191482475 /nfs/dbraw/zinc/48/24/75/191482475.db2.gz UQNUJMXQXDSTHH-QDIHITRGSA-N 1 0 247.357 3.803 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@@H](O)C(C)C ZINC000414293865 386103704 /nfs/dbraw/zinc/10/37/04/386103704.db2.gz MUPFDUCTWZXLDI-ILXRZTDVSA-N 1 0 241.419 3.506 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@@H](O)C(C)C ZINC000414293870 191483919 /nfs/dbraw/zinc/48/39/19/191483919.db2.gz MUPFDUCTWZXLDI-KKUMJFAQSA-N 1 0 241.419 3.506 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@H](O)C(C)C ZINC000414293873 386103121 /nfs/dbraw/zinc/10/31/21/386103121.db2.gz MUPFDUCTWZXLDI-QLFBSQMISA-N 1 0 241.419 3.506 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@H](O)C(C)C ZINC000414293875 386104232 /nfs/dbraw/zinc/10/42/32/386104232.db2.gz MUPFDUCTWZXLDI-SOUVJXGZSA-N 1 0 241.419 3.506 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000414294004 386103746 /nfs/dbraw/zinc/10/37/46/386103746.db2.gz WIUSUWZQCASYPW-QLFBSQMISA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000414294008 386104362 /nfs/dbraw/zinc/10/43/62/386104362.db2.gz WIUSUWZQCASYPW-RBSFLKMASA-N 1 0 233.330 3.544 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414294155 386104357 /nfs/dbraw/zinc/10/43/57/386104357.db2.gz ZEJOTWWLMHWFJH-AJNGGQMLSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414294159 386103174 /nfs/dbraw/zinc/10/31/74/386103174.db2.gz ZEJOTWWLMHWFJH-XGUBFFRZSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414294164 191484178 /nfs/dbraw/zinc/48/41/78/191484178.db2.gz ZEJOTWWLMHWFJH-XQLPTFJDSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414294167 386103852 /nfs/dbraw/zinc/10/38/52/386103852.db2.gz ZEJOTWWLMHWFJH-YJNKXOJESA-N 1 0 239.403 3.524 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@H](O)C(C)C ZINC000414295491 386104130 /nfs/dbraw/zinc/10/41/30/386104130.db2.gz NZGCNCCNQWIXQW-ARFHVFGLSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccccc1 ZINC000414296009 386102482 /nfs/dbraw/zinc/10/24/82/386102482.db2.gz NZGCNCCNQWIXQW-HRCADAONSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1ccccc1 ZINC000414296010 386103893 /nfs/dbraw/zinc/10/38/93/386103893.db2.gz NZGCNCCNQWIXQW-JYJNAYRXSA-N 1 0 249.398 3.523 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)[C@@H](O)C(C)C ZINC000414296011 191484364 /nfs/dbraw/zinc/48/43/64/191484364.db2.gz NZGCNCCNQWIXQW-XHSDSOJGSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000414297924 386106282 /nfs/dbraw/zinc/10/62/82/386106282.db2.gz HXOYZCXIILSQFR-CHWSQXEVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000414297926 386106526 /nfs/dbraw/zinc/10/65/26/386106526.db2.gz HXOYZCXIILSQFR-OLZOCXBDSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000414297927 386105234 /nfs/dbraw/zinc/10/52/34/386105234.db2.gz HXOYZCXIILSQFR-QWHCGFSZSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000414297929 386106846 /nfs/dbraw/zinc/10/68/46/386106846.db2.gz HXOYZCXIILSQFR-STQMWFEESA-N 1 0 241.444 3.686 20 0 BHADRO Cc1occc1C[NH2+]CCc1ccccc1Cl ZINC000414298066 386105111 /nfs/dbraw/zinc/10/51/11/386105111.db2.gz IXAIBXUZCJQTCQ-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414299787 191485534 /nfs/dbraw/zinc/48/55/34/191485534.db2.gz AIJWLUKCHVZTFE-KIDURHIOSA-N 1 0 249.320 3.681 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)oc1C ZINC000414303670 386138890 /nfs/dbraw/zinc/13/88/90/386138890.db2.gz DGWAATLXQYPNNG-CYZMBNFOSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)oc1C ZINC000414303673 386138070 /nfs/dbraw/zinc/13/80/70/386138070.db2.gz DGWAATLXQYPNNG-RAIGVLPGSA-N 1 0 239.334 3.828 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000414304417 386137308 /nfs/dbraw/zinc/13/73/08/386137308.db2.gz DZAFJNGGXNBJCW-SHARSMKWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000414304419 191495920 /nfs/dbraw/zinc/49/59/20/191495920.db2.gz DZAFJNGGXNBJCW-SLTAFYQDSA-N 1 0 241.419 3.750 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414306817 191485669 /nfs/dbraw/zinc/48/56/69/191485669.db2.gz RGJDHEWOAIDSJI-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414306818 386111047 /nfs/dbraw/zinc/11/10/47/386111047.db2.gz RGJDHEWOAIDSJI-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414306819 386111530 /nfs/dbraw/zinc/11/15/30/386111530.db2.gz RGJDHEWOAIDSJI-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414306820 191486530 /nfs/dbraw/zinc/48/65/30/191486530.db2.gz RGJDHEWOAIDSJI-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1ccccn1 ZINC000414307902 191487326 /nfs/dbraw/zinc/48/73/26/191487326.db2.gz SDQNWQFYWKMBHW-GUTXKFCHSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1ccccn1 ZINC000414307906 386110800 /nfs/dbraw/zinc/11/08/00/386110800.db2.gz SDQNWQFYWKMBHW-GZBFAFLISA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000414307909 386110837 /nfs/dbraw/zinc/11/08/37/386110837.db2.gz SDQNWQFYWKMBHW-KCQAQPDRSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000414307914 191487365 /nfs/dbraw/zinc/48/73/65/191487365.db2.gz SDQNWQFYWKMBHW-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1cccnc1 ZINC000414308716 386110074 /nfs/dbraw/zinc/11/00/74/386110074.db2.gz TWGCQLJSNOXFLT-AEGPPILISA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1cccnc1 ZINC000414308718 191486889 /nfs/dbraw/zinc/48/68/89/191486889.db2.gz TWGCQLJSNOXFLT-CFVMTHIKSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1cccnc1 ZINC000414308721 386111395 /nfs/dbraw/zinc/11/13/95/386111395.db2.gz TWGCQLJSNOXFLT-NWANDNLSSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1cccnc1 ZINC000414308723 386111020 /nfs/dbraw/zinc/11/10/20/386111020.db2.gz TWGCQLJSNOXFLT-QEJZJMRPSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)cs1 ZINC000414309737 386113199 /nfs/dbraw/zinc/11/31/99/386113199.db2.gz JYWYXBSKWFSVKJ-CYZMBNFOSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)cs1 ZINC000414309743 386112877 /nfs/dbraw/zinc/11/28/77/386112877.db2.gz JYWYXBSKWFSVKJ-RAIGVLPGSA-N 1 0 241.375 3.988 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)CC2CCCC2)CCC1 ZINC000414310397 386114335 /nfs/dbraw/zinc/11/43/35/386114335.db2.gz SYJQYWMATOSCFM-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)CC2CCCC2)CCC1 ZINC000414310399 386113328 /nfs/dbraw/zinc/11/33/28/386113328.db2.gz SYJQYWMATOSCFM-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)CC2CCCC2)CCC1 ZINC000414310401 386112680 /nfs/dbraw/zinc/11/26/80/386112680.db2.gz SYJQYWMATOSCFM-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)CC2CCCC2)CCC1 ZINC000414310403 191487757 /nfs/dbraw/zinc/48/77/57/191487757.db2.gz SYJQYWMATOSCFM-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CCC1 ZINC000414310413 191487392 /nfs/dbraw/zinc/48/73/92/191487392.db2.gz HMYONMYAWJPZRY-KBPBESRZSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)CCC1 ZINC000414310414 386114060 /nfs/dbraw/zinc/11/40/60/386114060.db2.gz HMYONMYAWJPZRY-KGLIPLIRSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CCC1 ZINC000414310416 386114274 /nfs/dbraw/zinc/11/42/74/386114274.db2.gz HMYONMYAWJPZRY-UONOGXRCSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)CCC1 ZINC000414310418 191487085 /nfs/dbraw/zinc/48/70/85/191487085.db2.gz HMYONMYAWJPZRY-ZIAGYGMSSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)CCC1 ZINC000414311577 386112929 /nfs/dbraw/zinc/11/29/29/386112929.db2.gz IWMLPANFKPXSAT-KBPBESRZSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)CCC1 ZINC000414311579 386113147 /nfs/dbraw/zinc/11/31/47/386113147.db2.gz IWMLPANFKPXSAT-KGLIPLIRSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)CCC1 ZINC000414311581 386112985 /nfs/dbraw/zinc/11/29/85/386112985.db2.gz IWMLPANFKPXSAT-UONOGXRCSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)CCC1 ZINC000414311583 386113180 /nfs/dbraw/zinc/11/31/80/386113180.db2.gz IWMLPANFKPXSAT-ZIAGYGMSSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1occc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000414313009 386116274 /nfs/dbraw/zinc/11/62/74/386116274.db2.gz AYBYUXXAIWSRDL-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000414313763 191488178 /nfs/dbraw/zinc/48/81/78/191488178.db2.gz PJJCSRPABIKAHD-JHJVBQTASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000414313765 191487832 /nfs/dbraw/zinc/48/78/32/191487832.db2.gz PJJCSRPABIKAHD-UPJWGTAASA-N 1 0 225.351 3.580 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414314901 191488665 /nfs/dbraw/zinc/48/86/65/191488665.db2.gz LVWBJCWSPWSCFM-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414314902 386115368 /nfs/dbraw/zinc/11/53/68/386115368.db2.gz LVWBJCWSPWSCFM-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414314903 191488948 /nfs/dbraw/zinc/48/89/48/191488948.db2.gz LVWBJCWSPWSCFM-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414314904 191489339 /nfs/dbraw/zinc/48/93/39/191489339.db2.gz LVWBJCWSPWSCFM-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)C2CCCCC2)CCC1 ZINC000414315328 386115797 /nfs/dbraw/zinc/11/57/97/386115797.db2.gz MNXYDAGJRHVLNM-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)C2CCCCC2)CCC1 ZINC000414315329 386115734 /nfs/dbraw/zinc/11/57/34/386115734.db2.gz MNXYDAGJRHVLNM-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)CCC1 ZINC000414315330 386116040 /nfs/dbraw/zinc/11/60/40/386116040.db2.gz MNXYDAGJRHVLNM-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)C2CCCCC2)CCC1 ZINC000414315331 386116123 /nfs/dbraw/zinc/11/61/23/386116123.db2.gz MNXYDAGJRHVLNM-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)c2ccccc2C)CCC1 ZINC000414316053 386116256 /nfs/dbraw/zinc/11/62/56/386116256.db2.gz NKVFBKULYPCCPP-KBPBESRZSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)c2ccccc2C)CCC1 ZINC000414316054 386116477 /nfs/dbraw/zinc/11/64/77/386116477.db2.gz NKVFBKULYPCCPP-KGLIPLIRSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CCC1 ZINC000414316055 386116736 /nfs/dbraw/zinc/11/67/36/386116736.db2.gz NKVFBKULYPCCPP-UONOGXRCSA-N 1 0 247.382 3.603 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)c2ccccc2C)CCC1 ZINC000414316056 386116390 /nfs/dbraw/zinc/11/63/90/386116390.db2.gz NKVFBKULYPCCPP-ZIAGYGMSSA-N 1 0 247.382 3.603 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414316153 386115545 /nfs/dbraw/zinc/11/55/45/386115545.db2.gz TYTQZFRZJYQKGH-AAVRWANBSA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414316154 191489423 /nfs/dbraw/zinc/48/94/23/191489423.db2.gz TYTQZFRZJYQKGH-REWJHTLYSA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414316155 386115976 /nfs/dbraw/zinc/11/59/76/386115976.db2.gz TYTQZFRZJYQKGH-RFQIPJPRSA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414316156 191488726 /nfs/dbraw/zinc/48/87/26/191488726.db2.gz TYTQZFRZJYQKGH-YIYPIFLZSA-N 1 0 245.357 3.775 20 0 BHADRO CCCC(CCC)[NH2+]C1CCC(COC)CC1 ZINC000414317232 386117519 /nfs/dbraw/zinc/11/75/19/386117519.db2.gz VPTCMYQDADUGOF-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccccc1 ZINC000414317973 386118342 /nfs/dbraw/zinc/11/83/42/386118342.db2.gz POSNUBLKJVMHAC-DZGCQCFKSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccccc1 ZINC000414317975 386118482 /nfs/dbraw/zinc/11/84/82/386118482.db2.gz POSNUBLKJVMHAC-HIFRSBDPSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccccc1 ZINC000414317977 386118812 /nfs/dbraw/zinc/11/88/12/386118812.db2.gz POSNUBLKJVMHAC-UKRRQHHQSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccccc1 ZINC000414317978 386117950 /nfs/dbraw/zinc/11/79/50/386117950.db2.gz POSNUBLKJVMHAC-ZFWWWQNUSA-N 1 0 247.382 3.685 20 0 BHADRO COC1([C@H](C)[NH2+][C@@H](C)CCC=C(C)C)CCC1 ZINC000414319040 191489358 /nfs/dbraw/zinc/48/93/58/191489358.db2.gz QWRMIBVKAIWKDL-KBPBESRZSA-N 1 0 239.403 3.669 20 0 BHADRO COC1([C@H](C)[NH2+][C@H](C)CCC=C(C)C)CCC1 ZINC000414319041 386117978 /nfs/dbraw/zinc/11/79/78/386117978.db2.gz QWRMIBVKAIWKDL-KGLIPLIRSA-N 1 0 239.403 3.669 20 0 BHADRO COC1([C@@H](C)[NH2+][C@@H](C)CCC=C(C)C)CCC1 ZINC000414319042 386118658 /nfs/dbraw/zinc/11/86/58/386118658.db2.gz QWRMIBVKAIWKDL-UONOGXRCSA-N 1 0 239.403 3.669 20 0 BHADRO COC1([C@@H](C)[NH2+][C@H](C)CCC=C(C)C)CCC1 ZINC000414319043 386117632 /nfs/dbraw/zinc/11/76/32/386117632.db2.gz QWRMIBVKAIWKDL-ZIAGYGMSSA-N 1 0 239.403 3.669 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414319059 386118792 /nfs/dbraw/zinc/11/87/92/386118792.db2.gz RAWJFOXIOCXLGR-GFCCVEGCSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414319060 386118652 /nfs/dbraw/zinc/11/86/52/386118652.db2.gz RAWJFOXIOCXLGR-LBPRGKRZSA-N 1 0 227.392 3.502 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000414319088 386118409 /nfs/dbraw/zinc/11/84/09/386118409.db2.gz YNSZWVZVUHJAGC-FRRDWIJNSA-N 1 0 237.318 3.527 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000414319090 386117748 /nfs/dbraw/zinc/11/77/48/386117748.db2.gz YNSZWVZVUHJAGC-JHJVBQTASA-N 1 0 237.318 3.527 20 0 BHADRO CC(C)(C[NH2+]C1CCCCCC1)c1cccnc1 ZINC000414323011 386121049 /nfs/dbraw/zinc/12/10/49/386121049.db2.gz GKIZMRXSPHTXSC-UHFFFAOYSA-N 1 0 246.398 3.672 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)C1CCCC1 ZINC000414323388 386120192 /nfs/dbraw/zinc/12/01/92/386120192.db2.gz AHDNRFHZQJFCHV-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)C1CCCC1 ZINC000414323391 386121424 /nfs/dbraw/zinc/12/14/24/386121424.db2.gz AHDNRFHZQJFCHV-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414324015 386120464 /nfs/dbraw/zinc/12/04/64/386120464.db2.gz HWCXCPKGZWXZEV-CYBMUJFWSA-N 1 0 234.387 3.528 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414324016 386121800 /nfs/dbraw/zinc/12/18/00/386121800.db2.gz HWCXCPKGZWXZEV-ZDUSSCGKSA-N 1 0 234.387 3.528 20 0 BHADRO CC1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414325700 386121066 /nfs/dbraw/zinc/12/10/66/386121066.db2.gz KXJHYGQSPSFUHH-UHFFFAOYSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414326012 386121713 /nfs/dbraw/zinc/12/17/13/386121713.db2.gz DKHQMIIJOUUTRT-DZGCQCFKSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414326016 386121372 /nfs/dbraw/zinc/12/13/72/386121372.db2.gz DKHQMIIJOUUTRT-HIFRSBDPSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414326021 386120904 /nfs/dbraw/zinc/12/09/04/386120904.db2.gz DKHQMIIJOUUTRT-UKRRQHHQSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414326025 386120712 /nfs/dbraw/zinc/12/07/12/386120712.db2.gz DKHQMIIJOUUTRT-ZFWWWQNUSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326406 386121074 /nfs/dbraw/zinc/12/10/74/386121074.db2.gz AMGTYDZCUMBRAN-BFHYXJOUSA-N 1 0 233.355 3.860 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326408 191490529 /nfs/dbraw/zinc/49/05/29/191490529.db2.gz AMGTYDZCUMBRAN-MGPQQGTHSA-N 1 0 233.355 3.860 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1 ZINC000414327703 386124631 /nfs/dbraw/zinc/12/46/31/386124631.db2.gz BYCIESLPBPXNSE-LERXQTSPSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1 ZINC000414327704 386123957 /nfs/dbraw/zinc/12/39/57/386123957.db2.gz BYCIESLPBPXNSE-ZLKJLUDKSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414327870 386123589 /nfs/dbraw/zinc/12/35/89/386123589.db2.gz GRVLELCJEXHBFX-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414327871 386122671 /nfs/dbraw/zinc/12/26/71/386122671.db2.gz GRVLELCJEXHBFX-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414328394 386123564 /nfs/dbraw/zinc/12/35/64/386123564.db2.gz GYSKLAWDNMSQIV-AWEZNQCLSA-N 1 0 234.387 3.528 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414328396 386124767 /nfs/dbraw/zinc/12/47/67/386124767.db2.gz GYSKLAWDNMSQIV-CQSZACIVSA-N 1 0 234.387 3.528 20 0 BHADRO Cc1cc(C[NH2+]C2CCC2)ccc1C(F)(F)F ZINC000414329524 191490714 /nfs/dbraw/zinc/49/07/14/191490714.db2.gz DHCGJUFRCJEXGX-UHFFFAOYSA-N 1 0 243.272 3.656 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414329537 386124088 /nfs/dbraw/zinc/12/40/88/386124088.db2.gz DILKDOABXRIYBQ-IJLUTSLNSA-N 1 0 247.363 3.856 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414329540 386123774 /nfs/dbraw/zinc/12/37/74/386123774.db2.gz DILKDOABXRIYBQ-QJPTWQEYSA-N 1 0 247.363 3.856 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1F ZINC000414330174 386123827 /nfs/dbraw/zinc/12/38/27/386123827.db2.gz DUYDELIWYHCWAW-MPKXVKKWSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1F ZINC000414330175 386122700 /nfs/dbraw/zinc/12/27/00/386122700.db2.gz DUYDELIWYHCWAW-ZKYQVNSYSA-N 1 0 245.297 3.625 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414330505 386125043 /nfs/dbraw/zinc/12/50/43/386125043.db2.gz PRQHGVSAGVIBDO-AWEZNQCLSA-N 1 0 248.414 3.774 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414330512 386124690 /nfs/dbraw/zinc/12/46/90/386124690.db2.gz PRQHGVSAGVIBDO-CQSZACIVSA-N 1 0 248.414 3.774 20 0 BHADRO CCCC(CCC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414330646 386124798 /nfs/dbraw/zinc/12/47/98/386124798.db2.gz PZQGHFQEXWEKNR-UHFFFAOYSA-N 1 0 248.414 3.918 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000414330833 386125225 /nfs/dbraw/zinc/12/52/25/386125225.db2.gz FEOYJADTVFKRAM-BYNSBNAKSA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000414330834 191491511 /nfs/dbraw/zinc/49/15/11/191491511.db2.gz FEOYJADTVFKRAM-GBJTYRQASA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000414330835 386124032 /nfs/dbraw/zinc/12/40/32/386124032.db2.gz FEOYJADTVFKRAM-KBUPBQIOSA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000414330836 386125515 /nfs/dbraw/zinc/12/55/15/386125515.db2.gz FEOYJADTVFKRAM-LXTVHRRPSA-N 1 0 245.366 3.694 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000414331842 386123024 /nfs/dbraw/zinc/12/30/24/386123024.db2.gz DGJQDBXRBPVHPN-INWMFGNUSA-N 1 0 247.382 3.577 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000414331844 386124362 /nfs/dbraw/zinc/12/43/62/386124362.db2.gz DGJQDBXRBPVHPN-NOLJZWGESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCCCC1 ZINC000414332008 386123486 /nfs/dbraw/zinc/12/34/86/386123486.db2.gz GFSWFHVCZJXQTL-IACUBPJLSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCCCC1 ZINC000414332009 386125422 /nfs/dbraw/zinc/12/54/22/386125422.db2.gz GFSWFHVCZJXQTL-MRVWCRGKSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1cccnc1)C1CCC1 ZINC000414332251 191491064 /nfs/dbraw/zinc/49/10/64/191491064.db2.gz LHJCPANYXALCGJ-HNNXBMFYSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1cccnc1)C1CCC1 ZINC000414332252 386128097 /nfs/dbraw/zinc/12/80/97/386128097.db2.gz LHJCPANYXALCGJ-OAHLLOKOSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414332553 386128413 /nfs/dbraw/zinc/12/84/13/386128413.db2.gz GTGZJHAKEPGCJK-GMTAPVOTSA-N 1 0 233.336 3.548 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414332556 386126661 /nfs/dbraw/zinc/12/66/61/386126661.db2.gz GTGZJHAKEPGCJK-HBNTYKKESA-N 1 0 233.336 3.548 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414332792 386127924 /nfs/dbraw/zinc/12/79/24/386127924.db2.gz ADKCILNHJUEGHG-IACUBPJLSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414332794 386126876 /nfs/dbraw/zinc/12/68/76/386126876.db2.gz ADKCILNHJUEGHG-MRVWCRGKSA-N 1 0 233.355 3.694 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)o1 ZINC000414333811 386128277 /nfs/dbraw/zinc/12/82/77/386128277.db2.gz HXCHIUPGFWCGTR-CYZMBNFOSA-N 1 0 245.322 3.642 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)o1 ZINC000414333814 386127307 /nfs/dbraw/zinc/12/73/07/386127307.db2.gz HXCHIUPGFWCGTR-RAIGVLPGSA-N 1 0 245.322 3.642 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414334554 386127366 /nfs/dbraw/zinc/12/73/66/386127366.db2.gz BMQLJEALUHGRHM-FRRDWIJNSA-N 1 0 247.363 3.938 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414334557 386128183 /nfs/dbraw/zinc/12/81/83/386128183.db2.gz BMQLJEALUHGRHM-JHJVBQTASA-N 1 0 247.363 3.938 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000414335169 386128396 /nfs/dbraw/zinc/12/83/96/386128396.db2.gz BTJWXUUKEIOXAL-NFAWXSAZSA-N 1 0 245.366 3.838 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000414335173 191492330 /nfs/dbraw/zinc/49/23/30/191492330.db2.gz BTJWXUUKEIOXAL-UMVBOHGHSA-N 1 0 245.366 3.838 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335244 386127596 /nfs/dbraw/zinc/12/75/96/386127596.db2.gz BUWWSNGVPCWLJX-FDYHWXHSSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335247 386126505 /nfs/dbraw/zinc/12/65/05/386126505.db2.gz BUWWSNGVPCWLJX-LOWDOPEQSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335250 386126732 /nfs/dbraw/zinc/12/67/32/386126732.db2.gz BUWWSNGVPCWLJX-LPWJVIDDSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335253 386126873 /nfs/dbraw/zinc/12/68/73/386126873.db2.gz BUWWSNGVPCWLJX-UMSGYPCISA-N 1 0 233.355 3.550 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335861 386127964 /nfs/dbraw/zinc/12/79/64/386127964.db2.gz JRLOCGDLMJJPSH-BPLDGKMQSA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414335863 386127980 /nfs/dbraw/zinc/12/79/80/386127980.db2.gz JRLOCGDLMJJPSH-NWANDNLSSA-N 1 0 241.334 3.795 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414336276 386129740 /nfs/dbraw/zinc/12/97/40/386129740.db2.gz PEHOIYXHLMOIRH-CYBMUJFWSA-N 1 0 248.414 3.774 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414336277 191492724 /nfs/dbraw/zinc/49/27/24/191492724.db2.gz PEHOIYXHLMOIRH-ZDUSSCGKSA-N 1 0 248.414 3.774 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336557 386129767 /nfs/dbraw/zinc/12/97/67/386129767.db2.gz KHDBTVKBRXQXFN-FDYHWXHSSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336560 386128521 /nfs/dbraw/zinc/12/85/21/386128521.db2.gz KHDBTVKBRXQXFN-OKWIKPQFSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336563 386128642 /nfs/dbraw/zinc/12/86/42/386128642.db2.gz KHDBTVKBRXQXFN-WUHRBBMRSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336911 386129377 /nfs/dbraw/zinc/12/93/77/386129377.db2.gz DCGJFGZMILQEKD-IJLUTSLNSA-N 1 0 221.344 3.550 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336912 386130454 /nfs/dbraw/zinc/13/04/54/386130454.db2.gz DCGJFGZMILQEKD-QJPTWQEYSA-N 1 0 221.344 3.550 20 0 BHADRO CCC1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414337133 191492481 /nfs/dbraw/zinc/49/24/81/191492481.db2.gz KMCNLXCLXMIIAG-NWINJMCUSA-N 1 0 233.355 3.694 20 0 BHADRO Cc1occc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000414337382 386128908 /nfs/dbraw/zinc/12/89/08/386128908.db2.gz QBRXRVLNSPMAFZ-UHFFFAOYSA-N 1 0 245.297 3.506 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414338863 386129684 /nfs/dbraw/zinc/12/96/84/386129684.db2.gz MJOOCLUXGBLMNC-GRYCIOLGSA-N 1 0 247.363 3.938 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414338864 386130265 /nfs/dbraw/zinc/13/02/65/386130265.db2.gz MJOOCLUXGBLMNC-IJLUTSLNSA-N 1 0 247.363 3.938 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000414339421 386128573 /nfs/dbraw/zinc/12/85/73/386128573.db2.gz MPLOHISSSMYFRS-LERXQTSPSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000414339423 386130339 /nfs/dbraw/zinc/13/03/39/386130339.db2.gz MPLOHISSSMYFRS-ZLKJLUDKSA-N 1 0 245.297 3.625 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC1(C)C)c1cccnc1 ZINC000414339432 191492189 /nfs/dbraw/zinc/49/21/89/191492189.db2.gz STKCBRRGIJZUGY-AWEZNQCLSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC1(C)C)c1cccnc1 ZINC000414339435 386130873 /nfs/dbraw/zinc/13/08/73/386130873.db2.gz STKCBRRGIJZUGY-CQSZACIVSA-N 1 0 246.398 3.528 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414340446 191493282 /nfs/dbraw/zinc/49/32/82/191493282.db2.gz NKSCFZOBJJXIKC-BPLDGKMQSA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414340448 386131392 /nfs/dbraw/zinc/13/13/92/386131392.db2.gz NKSCFZOBJJXIKC-NWANDNLSSA-N 1 0 241.334 3.795 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414340494 386133606 /nfs/dbraw/zinc/13/36/06/386133606.db2.gz NNMXYCDYVZJDRI-CHWSQXEVSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414340982 191493344 /nfs/dbraw/zinc/49/33/44/191493344.db2.gz HPGOGZIHZIQLPU-DHGKCCLASA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414340983 191494326 /nfs/dbraw/zinc/49/43/26/191494326.db2.gz HPGOGZIHZIQLPU-XGFWRYKXSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414340985 386133052 /nfs/dbraw/zinc/13/30/52/386133052.db2.gz HPGOGZIHZIQLPU-XHJNMGKDSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414340987 386131466 /nfs/dbraw/zinc/13/14/66/386131466.db2.gz HPGOGZIHZIQLPU-XVIXHAIJSA-N 1 0 233.355 3.550 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414341064 386131262 /nfs/dbraw/zinc/13/12/62/386131262.db2.gz NZMBCUPEQHFHJD-BPLDGKMQSA-N 1 0 241.334 3.795 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414341066 386132238 /nfs/dbraw/zinc/13/22/38/386132238.db2.gz NZMBCUPEQHFHJD-NWANDNLSSA-N 1 0 241.334 3.795 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414342031 386132137 /nfs/dbraw/zinc/13/21/37/386132137.db2.gz PDVBZQIQHSIMQE-MVWJERBFSA-N 1 0 233.336 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414342033 386131813 /nfs/dbraw/zinc/13/18/13/386131813.db2.gz PDVBZQIQHSIMQE-YUSALJHKSA-N 1 0 233.336 3.548 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414342121 191494342 /nfs/dbraw/zinc/49/43/42/191494342.db2.gz PPIFDZQGKZLZKB-JHJVBQTASA-N 1 0 221.344 3.694 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414342123 191493695 /nfs/dbraw/zinc/49/36/95/191493695.db2.gz PPIFDZQGKZLZKB-YNEHKIRRSA-N 1 0 221.344 3.694 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)oc1C ZINC000414342136 386131922 /nfs/dbraw/zinc/13/19/22/386131922.db2.gz IJRAUYZGCLTRBM-CYZMBNFOSA-N 1 0 245.322 3.696 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)oc1C ZINC000414342137 386132825 /nfs/dbraw/zinc/13/28/25/386132825.db2.gz IJRAUYZGCLTRBM-RAIGVLPGSA-N 1 0 245.322 3.696 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000414342378 191494195 /nfs/dbraw/zinc/49/41/95/191494195.db2.gz PKKKYYRKANXJBN-BBRMVZONSA-N 1 0 247.382 3.577 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)s1 ZINC000414342505 386133018 /nfs/dbraw/zinc/13/30/18/386133018.db2.gz PWQOOVGMJWERDD-IJLUTSLNSA-N 1 0 247.363 3.856 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)s1 ZINC000414342507 386131485 /nfs/dbraw/zinc/13/14/85/386131485.db2.gz PWQOOVGMJWERDD-QJPTWQEYSA-N 1 0 247.363 3.856 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414344425 386134316 /nfs/dbraw/zinc/13/43/16/386134316.db2.gz ZMBGQCXUALRAGW-HNNXBMFYSA-N 1 0 248.414 3.918 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414344426 386135892 /nfs/dbraw/zinc/13/58/92/386135892.db2.gz ZMBGQCXUALRAGW-OAHLLOKOSA-N 1 0 248.414 3.918 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC(C)(C)C1)c1cccnc1 ZINC000414344622 191493417 /nfs/dbraw/zinc/49/34/17/191493417.db2.gz ZNBFXKUOUWFKJH-AWEZNQCLSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC(C)(C)C1)c1cccnc1 ZINC000414344624 386135451 /nfs/dbraw/zinc/13/54/51/386135451.db2.gz ZNBFXKUOUWFKJH-CQSZACIVSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)c2cccnc2)C1 ZINC000414344662 386134239 /nfs/dbraw/zinc/13/42/39/386134239.db2.gz ZNUOYJORNWBGQY-DZGCQCFKSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)c2cccnc2)C1 ZINC000414344667 386134306 /nfs/dbraw/zinc/13/43/06/386134306.db2.gz ZNUOYJORNWBGQY-HIFRSBDPSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)c2cccnc2)C1 ZINC000414344670 386136008 /nfs/dbraw/zinc/13/60/08/386136008.db2.gz ZNUOYJORNWBGQY-UKRRQHHQSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)c2cccnc2)C1 ZINC000414344671 386135733 /nfs/dbraw/zinc/13/57/33/386135733.db2.gz ZNUOYJORNWBGQY-ZFWWWQNUSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414345262 386134295 /nfs/dbraw/zinc/13/42/95/386134295.db2.gz SGIUALHLVADKFF-JHJVBQTASA-N 1 0 221.344 3.550 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414345264 386134904 /nfs/dbraw/zinc/13/49/04/386134904.db2.gz SGIUALHLVADKFF-YNEHKIRRSA-N 1 0 221.344 3.550 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC1(C)C ZINC000414345573 191494209 /nfs/dbraw/zinc/49/42/09/191494209.db2.gz LSPTZVMRTICCAW-FDYHWXHSSA-N 1 0 233.355 3.550 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC1(C)C ZINC000414345974 386135946 /nfs/dbraw/zinc/13/59/46/386135946.db2.gz LSPTZVMRTICCAW-FVCCEPFGSA-N 1 0 233.355 3.550 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC1(C)C ZINC000414345975 386135951 /nfs/dbraw/zinc/13/59/51/386135951.db2.gz LSPTZVMRTICCAW-MROQNXINSA-N 1 0 233.355 3.550 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC1(C)C ZINC000414345976 386136148 /nfs/dbraw/zinc/13/61/48/386136148.db2.gz LSPTZVMRTICCAW-YVECIDJPSA-N 1 0 233.355 3.550 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414346579 191494653 /nfs/dbraw/zinc/49/46/53/191494653.db2.gz MFWLLJMLDYBLHX-JHJVBQTASA-N 1 0 233.355 3.694 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414346581 386136027 /nfs/dbraw/zinc/13/60/27/386136027.db2.gz MFWLLJMLDYBLHX-YNEHKIRRSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414347255 386135593 /nfs/dbraw/zinc/13/55/93/386135593.db2.gz MVWLFTJFJMQFJY-AAVRWANBSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414347257 386134230 /nfs/dbraw/zinc/13/42/30/386134230.db2.gz MVWLFTJFJMQFJY-REWJHTLYSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414347258 386134595 /nfs/dbraw/zinc/13/45/95/386134595.db2.gz MVWLFTJFJMQFJY-RFQIPJPRSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414347259 386135938 /nfs/dbraw/zinc/13/59/38/386135938.db2.gz MVWLFTJFJMQFJY-YIYPIFLZSA-N 1 0 233.355 3.694 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)c(C)o1 ZINC000414349092 386117347 /nfs/dbraw/zinc/11/73/47/386117347.db2.gz XVPQEUAXSQYHQB-LERXQTSPSA-N 1 0 245.322 3.696 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)c(C)o1 ZINC000414349095 386121721 /nfs/dbraw/zinc/12/17/21/386121721.db2.gz XVPQEUAXSQYHQB-ZLKJLUDKSA-N 1 0 245.322 3.696 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414349604 386152488 /nfs/dbraw/zinc/15/24/88/386152488.db2.gz YHHTZZDOCHWBEX-AAVRWANBSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414349609 529231340 /nfs/dbraw/zinc/23/13/40/529231340.db2.gz YHHTZZDOCHWBEX-IGQOVBAYSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414349611 529223559 /nfs/dbraw/zinc/22/35/59/529223559.db2.gz YHHTZZDOCHWBEX-REWJHTLYSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414349614 386151279 /nfs/dbraw/zinc/15/12/79/386151279.db2.gz YHHTZZDOCHWBEX-XJFOESAGSA-N 1 0 233.355 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000414349648 229692925 /nfs/dbraw/zinc/69/29/25/229692925.db2.gz PNCXGBXSJHBVCA-ZIAGYGMSSA-N 1 0 245.366 3.694 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1C ZINC000414349717 534192189 /nfs/dbraw/zinc/19/21/89/534192189.db2.gz PVOLISOJHQBEOJ-DHGKCCLASA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1C ZINC000414349718 386151394 /nfs/dbraw/zinc/15/13/94/386151394.db2.gz PVOLISOJHQBEOJ-MBJXGIAVSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1C ZINC000414349719 386150658 /nfs/dbraw/zinc/15/06/58/386150658.db2.gz PVOLISOJHQBEOJ-RKQHYHRCSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1C ZINC000414349720 386151808 /nfs/dbraw/zinc/15/18/08/386151808.db2.gz PVOLISOJHQBEOJ-XVIXHAIJSA-N 1 0 233.355 3.550 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414350007 386150310 /nfs/dbraw/zinc/15/03/10/386150310.db2.gz YVKYMJWJHDKEMQ-CHWSQXEVSA-N 1 0 221.344 3.694 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414350194 386152369 /nfs/dbraw/zinc/15/23/69/386152369.db2.gz QEUCADLLIMJLNP-CYZMBNFOSA-N 1 0 247.363 3.856 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414350195 386150855 /nfs/dbraw/zinc/15/08/55/386150855.db2.gz QEUCADLLIMJLNP-RAIGVLPGSA-N 1 0 247.363 3.856 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414350216 386150457 /nfs/dbraw/zinc/15/04/57/386150457.db2.gz QGXVLRDQOXEJRI-AAVRWANBSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414350217 386150301 /nfs/dbraw/zinc/15/03/01/386150301.db2.gz QGXVLRDQOXEJRI-REWJHTLYSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414350218 386150460 /nfs/dbraw/zinc/15/04/60/386150460.db2.gz QGXVLRDQOXEJRI-RFQIPJPRSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414350219 386151888 /nfs/dbraw/zinc/15/18/88/386151888.db2.gz QGXVLRDQOXEJRI-YIYPIFLZSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414350872 386152626 /nfs/dbraw/zinc/15/26/26/386152626.db2.gz ZRFQBNWYWFLBRQ-QLFBSQMISA-N 1 0 241.334 3.876 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414350874 386152063 /nfs/dbraw/zinc/15/20/63/386152063.db2.gz ZRFQBNWYWFLBRQ-RBSFLKMASA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]1CC([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H](C)C1 ZINC000414351462 386154828 /nfs/dbraw/zinc/15/48/28/386154828.db2.gz RSALLKAGEBOAIO-CDGCEXEKSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H](C)C1 ZINC000414351465 386154706 /nfs/dbraw/zinc/15/47/06/386154706.db2.gz RSALLKAGEBOAIO-HBJVGIJOSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H](C)C1 ZINC000414351468 205758264 /nfs/dbraw/zinc/75/82/64/205758264.db2.gz RSALLKAGEBOAIO-MBJXGIAVSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]1C ZINC000414351476 386154179 /nfs/dbraw/zinc/15/41/79/386154179.db2.gz RSNLJKBWAALWFL-DHGKCCLASA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]1C ZINC000414351478 386155176 /nfs/dbraw/zinc/15/51/76/386155176.db2.gz RSNLJKBWAALWFL-XGFWRYKXSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC000414351479 386155729 /nfs/dbraw/zinc/15/57/29/386155729.db2.gz RSNLJKBWAALWFL-XHJNMGKDSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC000414351481 386154555 /nfs/dbraw/zinc/15/45/55/386154555.db2.gz RSNLJKBWAALWFL-XVIXHAIJSA-N 1 0 233.355 3.550 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCCC1 ZINC000414351539 386155601 /nfs/dbraw/zinc/15/56/01/386155601.db2.gz RVOHEKKRWKPHNP-HZSPNIEDSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCCC1 ZINC000414351541 386155611 /nfs/dbraw/zinc/15/56/11/386155611.db2.gz RVOHEKKRWKPHNP-MGPQQGTHSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCC1 ZINC000414352153 205759329 /nfs/dbraw/zinc/75/93/29/205759329.db2.gz SUMAEGNYUYYUEV-HZSPNIEDSA-N 1 0 233.355 3.694 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CCC1 ZINC000414352154 386153513 /nfs/dbraw/zinc/15/35/13/386153513.db2.gz SUMAEGNYUYYUEV-MGPQQGTHSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C(C)(C)C ZINC000414352487 386140141 /nfs/dbraw/zinc/14/01/41/386140141.db2.gz UHJIXHXBGMUBDP-NQBHXWOUSA-N 1 0 221.344 3.550 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C(C)(C)C ZINC000414352488 191496804 /nfs/dbraw/zinc/49/68/04/191496804.db2.gz UHJIXHXBGMUBDP-WZRBSPASSA-N 1 0 221.344 3.550 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414352710 386139658 /nfs/dbraw/zinc/13/96/58/386139658.db2.gz ULLOXVRUWNOODR-AAVRWANBSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414352711 386139708 /nfs/dbraw/zinc/13/97/08/386139708.db2.gz ULLOXVRUWNOODR-REWJHTLYSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414352712 386139732 /nfs/dbraw/zinc/13/97/32/386139732.db2.gz ULLOXVRUWNOODR-RFQIPJPRSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414352713 386140985 /nfs/dbraw/zinc/14/09/85/386140985.db2.gz ULLOXVRUWNOODR-YIYPIFLZSA-N 1 0 233.355 3.550 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000414352788 386141387 /nfs/dbraw/zinc/14/13/87/386141387.db2.gz USEDIUXHMOVBAS-APIJFGDWSA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000414352790 386141628 /nfs/dbraw/zinc/14/16/28/386141628.db2.gz USEDIUXHMOVBAS-GBJTYRQASA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000414352792 386140989 /nfs/dbraw/zinc/14/09/89/386140989.db2.gz USEDIUXHMOVBAS-KBUPBQIOSA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000414352794 386141015 /nfs/dbraw/zinc/14/10/15/386141015.db2.gz USEDIUXHMOVBAS-LJISPDSOSA-N 1 0 245.366 3.694 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414353584 386140402 /nfs/dbraw/zinc/14/04/02/386140402.db2.gz WCRLOPNSEVNQFT-DHGKCCLASA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414353585 191497222 /nfs/dbraw/zinc/49/72/22/191497222.db2.gz WCRLOPNSEVNQFT-XGFWRYKXSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414353586 386139993 /nfs/dbraw/zinc/13/99/93/386139993.db2.gz WCRLOPNSEVNQFT-XHJNMGKDSA-N 1 0 233.355 3.550 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414353587 386140312 /nfs/dbraw/zinc/14/03/12/386140312.db2.gz WCRLOPNSEVNQFT-XVIXHAIJSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354767 386143336 /nfs/dbraw/zinc/14/33/36/386143336.db2.gz XUUIMTOIBHRYJG-FDYHWXHSSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354769 386144312 /nfs/dbraw/zinc/14/43/12/386144312.db2.gz XUUIMTOIBHRYJG-FVCCEPFGSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354771 386142048 /nfs/dbraw/zinc/14/20/48/386142048.db2.gz XUUIMTOIBHRYJG-MROQNXINSA-N 1 0 233.355 3.550 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354773 386143945 /nfs/dbraw/zinc/14/39/45/386143945.db2.gz XUUIMTOIBHRYJG-YVECIDJPSA-N 1 0 233.355 3.550 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000414355863 386142295 /nfs/dbraw/zinc/14/22/95/386142295.db2.gz ZIEUTEUSLIRSJE-FMKPAKJESA-N 1 0 245.366 3.694 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000414355865 386142988 /nfs/dbraw/zinc/14/29/88/386142988.db2.gz ZIEUTEUSLIRSJE-IIAWOOMASA-N 1 0 245.366 3.694 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414357884 386146126 /nfs/dbraw/zinc/14/61/26/386146126.db2.gz KPOSGDYZWBTJPU-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO CC[N@H+](Cc1ccoc1C)Cc1ccccc1 ZINC000414362300 398220457 /nfs/dbraw/zinc/22/04/57/398220457.db2.gz DXCLRWNOLJDPES-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO Cc1occc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000414364192 386148483 /nfs/dbraw/zinc/14/84/83/386148483.db2.gz ZHSQNRPYDHGRRX-UHFFFAOYSA-N 1 0 245.297 3.506 20 0 BHADRO Cc1occc1C[NH2+]C[C@H](C)Cc1cccs1 ZINC000414364439 191498955 /nfs/dbraw/zinc/49/89/55/191498955.db2.gz ZVANVNUGFIZUKY-LLVKDONJSA-N 1 0 249.379 3.618 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000414364441 386148584 /nfs/dbraw/zinc/14/85/84/386148584.db2.gz ZVANVNUGFIZUKY-NSHDSACASA-N 1 0 249.379 3.618 20 0 BHADRO Cc1occc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000414365645 386148675 /nfs/dbraw/zinc/14/86/75/386148675.db2.gz MQAUGKFQFVHUGW-HNNXBMFYSA-N 1 0 227.307 3.535 20 0 BHADRO Cc1occc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000414365646 386149081 /nfs/dbraw/zinc/14/90/81/386149081.db2.gz MQAUGKFQFVHUGW-OAHLLOKOSA-N 1 0 227.307 3.535 20 0 BHADRO CC[N@H+](CCc1cccs1)Cc1ccoc1C ZINC000414366910 386159633 /nfs/dbraw/zinc/15/96/33/386159633.db2.gz CNGKJPLYYWVSCP-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO Cc1occc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000414367261 386162479 /nfs/dbraw/zinc/16/24/79/386162479.db2.gz DNUSIJYWNZSSFZ-UHFFFAOYSA-N 1 0 241.334 3.753 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000414367800 386154121 /nfs/dbraw/zinc/15/41/21/386154121.db2.gz FQZXPUIUAWMENB-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000414367801 386154748 /nfs/dbraw/zinc/15/47/48/386154748.db2.gz FQZXPUIUAWMENB-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1occc1C[N@@H+]([C@H](C)C(C)C)C1CC1 ZINC000414369169 386154535 /nfs/dbraw/zinc/15/45/35/386154535.db2.gz TZDZFRZQBMJFLH-LLVKDONJSA-N 1 0 221.344 3.597 20 0 BHADRO Cc1occc1C[N@@H+]([C@@H](C)C(C)C)C1CC1 ZINC000414369171 386155718 /nfs/dbraw/zinc/15/57/18/386155718.db2.gz TZDZFRZQBMJFLH-NSHDSACASA-N 1 0 221.344 3.597 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1ccoc1C ZINC000414369951 386155637 /nfs/dbraw/zinc/15/56/37/386155637.db2.gz KPGWJRMIMHFOPD-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CC2)ccc1C(F)(F)F ZINC000414370997 411412480 /nfs/dbraw/zinc/41/24/80/411412480.db2.gz MRWZJSUEKQYRTD-UHFFFAOYSA-N 1 0 243.272 3.608 20 0 BHADRO Cc1occc1C[N@@H+](Cc1ccco1)C(C)C ZINC000414371840 386168982 /nfs/dbraw/zinc/16/89/82/386168982.db2.gz ODLPWQLUGFGARK-UHFFFAOYSA-N 1 0 233.311 3.592 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000414373476 386176732 /nfs/dbraw/zinc/17/67/32/386176732.db2.gz SKTSKDFSIFOKHR-AWEZNQCLSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000414373477 386177867 /nfs/dbraw/zinc/17/78/67/386177867.db2.gz SKTSKDFSIFOKHR-CQSZACIVSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1occc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000414373588 386177819 /nfs/dbraw/zinc/17/78/19/386177819.db2.gz SSOVNVKPYAAZAF-INIZCTEOSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1occc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000414373591 386178073 /nfs/dbraw/zinc/17/80/73/386178073.db2.gz SSOVNVKPYAAZAF-MRXNPFEDSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1occc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000414373808 386186392 /nfs/dbraw/zinc/18/63/92/386186392.db2.gz UDQCVGKWXXVEDA-JTQLQIEISA-N 1 0 247.363 3.769 20 0 BHADRO Cc1occc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000414373810 386184782 /nfs/dbraw/zinc/18/47/82/386184782.db2.gz UDQCVGKWXXVEDA-SNVBAGLBSA-N 1 0 247.363 3.769 20 0 BHADRO Cc1occc1C[N@H+](Cc1cccs1)C1CC1 ZINC000414375043 386194258 /nfs/dbraw/zinc/19/42/58/386194258.db2.gz XLNABEIPIGCVIC-UHFFFAOYSA-N 1 0 247.363 3.814 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000414375145 386188209 /nfs/dbraw/zinc/18/82/09/386188209.db2.gz XWCYNHQLLXMXCN-CYBMUJFWSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1occc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000414375147 386189332 /nfs/dbraw/zinc/18/93/32/386189332.db2.gz XWCYNHQLLXMXCN-ZDUSSCGKSA-N 1 0 247.363 3.987 20 0 BHADRO Cc1occc1CN([C@H](C)c1ccco1)C1CC1 ZINC000414385173 386238869 /nfs/dbraw/zinc/23/88/69/386238869.db2.gz VEJIMDUXJJJDCI-LLVKDONJSA-N 1 0 245.322 3.907 20 0 BHADRO Cc1occc1CN([C@@H](C)c1ccco1)C1CC1 ZINC000414385177 386239777 /nfs/dbraw/zinc/23/97/77/386239777.db2.gz VEJIMDUXJJJDCI-NSHDSACASA-N 1 0 245.322 3.907 20 0 BHADRO Cc1occc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000414387695 411413936 /nfs/dbraw/zinc/41/39/36/411413936.db2.gz ZGZNPCVWMHUINI-KKNUOHPOSA-N 1 0 245.366 3.599 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000414388334 386244227 /nfs/dbraw/zinc/24/42/27/386244227.db2.gz BXFIOCZZJITNMF-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000414392697 386271142 /nfs/dbraw/zinc/27/11/42/386271142.db2.gz CIHYQBKPUOEWKI-LLVKDONJSA-N 1 0 241.400 3.552 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000414392698 386271176 /nfs/dbraw/zinc/27/11/76/386271176.db2.gz CIHYQBKPUOEWKI-NSHDSACASA-N 1 0 241.400 3.552 20 0 BHADRO Cc1occc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000414393091 386271919 /nfs/dbraw/zinc/27/19/19/386271919.db2.gz CYDAEDXSJXZEEM-BLLLJJGKSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1occc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000414393093 386271254 /nfs/dbraw/zinc/27/12/54/386271254.db2.gz CYDAEDXSJXZEEM-LRDDRELGSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1occc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000414393094 386270904 /nfs/dbraw/zinc/27/09/04/386270904.db2.gz CYDAEDXSJXZEEM-MLGOLLRUSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1occc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000414393097 191504078 /nfs/dbraw/zinc/50/40/78/191504078.db2.gz CYDAEDXSJXZEEM-WBMJQRKESA-N 1 0 241.334 3.781 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1cccs1 ZINC000414400869 386297141 /nfs/dbraw/zinc/29/71/41/386297141.db2.gz YXSYKZIUQWJEFM-UHFFFAOYSA-N 1 0 235.352 3.674 20 0 BHADRO Cc1occc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000414437280 386454845 /nfs/dbraw/zinc/45/48/45/386454845.db2.gz BOJHJJYEIPXMOF-UHFFFAOYSA-N 1 0 243.297 3.598 20 0 BHADRO CC[N@H+](Cc1ccoc1C)[C@H](C)c1cccnc1 ZINC000414437806 191509508 /nfs/dbraw/zinc/50/95/08/191509508.db2.gz CACODGAWNVMDGD-GFCCVEGCSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1ccoc1C)[C@@H](C)c1cccnc1 ZINC000414437809 386455000 /nfs/dbraw/zinc/45/50/00/386455000.db2.gz CACODGAWNVMDGD-LBPRGKRZSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccoc1C ZINC000414438917 386465989 /nfs/dbraw/zinc/46/59/89/386465989.db2.gz DXGBATSGFHOROY-HNNXBMFYSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccoc1C ZINC000414438919 386465095 /nfs/dbraw/zinc/46/50/95/386465095.db2.gz DXGBATSGFHOROY-OAHLLOKOSA-N 1 0 244.338 3.566 20 0 BHADRO Cc1occc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000414442908 386483436 /nfs/dbraw/zinc/48/34/36/386483436.db2.gz ZAFDICKJEIYMQF-LLVKDONJSA-N 1 0 249.276 3.655 20 0 BHADRO Cc1occc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000414442909 386483975 /nfs/dbraw/zinc/48/39/75/386483975.db2.gz ZAFDICKJEIYMQF-NSHDSACASA-N 1 0 249.276 3.655 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000414443516 397942073 /nfs/dbraw/zinc/94/20/73/397942073.db2.gz JCXARPFFKBKXMX-WKILWMFISA-N 1 0 241.334 3.624 20 0 BHADRO Cc1occc1CN1Cc2cccc(Cl)c2C1 ZINC000414444676 386490718 /nfs/dbraw/zinc/49/07/18/386490718.db2.gz QIQPKTJEPCGRNK-UHFFFAOYSA-N 1 0 247.725 3.757 20 0 BHADRO Cc1occc1C[N@@H+](CC1CCC1)C(C)C ZINC000414448369 386512099 /nfs/dbraw/zinc/51/20/99/386512099.db2.gz RQINXOCCPPOURJ-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000414452543 397948258 /nfs/dbraw/zinc/94/82/58/397948258.db2.gz POOBTXPAFHICHR-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000414452545 397948289 /nfs/dbraw/zinc/94/82/89/397948289.db2.gz POOBTXPAFHICHR-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1ccccc1C ZINC000414454059 386550309 /nfs/dbraw/zinc/55/03/09/386550309.db2.gz QCYKPSFJKLRXRL-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1ccccc1F ZINC000414454479 386554097 /nfs/dbraw/zinc/55/40/97/386554097.db2.gz QUTKLNUGZKUHAD-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO Cc1occc1C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000414456302 386570112 /nfs/dbraw/zinc/57/01/12/386570112.db2.gz UJTBFPOYXRYLHG-AWEZNQCLSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1occc1C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000414456304 386568338 /nfs/dbraw/zinc/56/83/38/386568338.db2.gz UJTBFPOYXRYLHG-CQSZACIVSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1occc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000414457159 386576740 /nfs/dbraw/zinc/57/67/40/386576740.db2.gz USDMQGOFUVKNNS-UHFFFAOYSA-N 1 0 243.297 3.503 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2ccoc2C)cc1 ZINC000414458909 386582120 /nfs/dbraw/zinc/58/21/20/386582120.db2.gz UVUPTGUUKKCOLM-UHFFFAOYSA-N 1 0 241.334 3.563 20 0 BHADRO COCC[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC000414476816 191518852 /nfs/dbraw/zinc/51/88/52/191518852.db2.gz BHRNYFVSRLPEDK-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO COCC[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC000414476817 386668604 /nfs/dbraw/zinc/66/86/04/386668604.db2.gz BHRNYFVSRLPEDK-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO COCC[C@H](C)C[NH2+]CCCC1CCCCC1 ZINC000414476882 386662890 /nfs/dbraw/zinc/66/28/90/386662890.db2.gz BQWGLIXDSMHMGV-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO COCC[C@@H](C)C[NH2+]CCCC1CCCCC1 ZINC000414476884 386661249 /nfs/dbraw/zinc/66/12/49/386661249.db2.gz BQWGLIXDSMHMGV-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO COCC[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000414477894 386669515 /nfs/dbraw/zinc/66/95/15/386669515.db2.gz DQOWHSBTLUYEQI-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO COCC[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000414477895 386669893 /nfs/dbraw/zinc/66/98/93/386669893.db2.gz DQOWHSBTLUYEQI-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO COCC[C@H](C)C[NH2+]CC1(C)CCCCCC1 ZINC000414481028 386687179 /nfs/dbraw/zinc/68/71/79/386687179.db2.gz LCIQJVCENKHLCJ-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO COCC[C@@H](C)C[NH2+]CC1(C)CCCCCC1 ZINC000414481030 386685466 /nfs/dbraw/zinc/68/54/66/386685466.db2.gz LCIQJVCENKHLCJ-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000414484590 386698411 /nfs/dbraw/zinc/69/84/11/386698411.db2.gz JYGSAWWPCZNPHK-ILDUYXDCSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414494306 386731133 /nfs/dbraw/zinc/73/11/33/386731133.db2.gz DTFFPKPDDKWHTH-GFCCVEGCSA-N 1 0 234.387 3.515 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414494307 191523877 /nfs/dbraw/zinc/52/38/77/191523877.db2.gz DTFFPKPDDKWHTH-LBPRGKRZSA-N 1 0 234.387 3.515 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414497229 386743223 /nfs/dbraw/zinc/74/32/23/386743223.db2.gz JWMYDGCVPNJNDU-UHFFFAOYSA-N 1 0 234.387 3.515 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1nccs1 ZINC000414498455 386747820 /nfs/dbraw/zinc/74/78/20/386747820.db2.gz WJBZGSPHHJQVGU-QJPTWQEYSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nccs1 ZINC000414498456 191524196 /nfs/dbraw/zinc/52/41/96/191524196.db2.gz WJBZGSPHHJQVGU-SDDRHHMPSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nccs1 ZINC000414498458 386747479 /nfs/dbraw/zinc/74/74/79/386747479.db2.gz WJBZGSPHHJQVGU-SRVKXCTJSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nccs1 ZINC000414498460 386747777 /nfs/dbraw/zinc/74/77/77/386747777.db2.gz WJBZGSPHHJQVGU-TUAOUCFPSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)(C)c1ccncc1C[NH2+]CC1(C)CCC1 ZINC000414501245 487812798 /nfs/dbraw/zinc/81/27/98/487812798.db2.gz RSOOCTXBNSAUMO-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000414502051 386770633 /nfs/dbraw/zinc/77/06/33/386770633.db2.gz TXXMMZKRYMOQRA-GUTXKFCHSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000414502053 386770101 /nfs/dbraw/zinc/77/01/01/386770101.db2.gz TXXMMZKRYMOQRA-GZBFAFLISA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000414502055 386770438 /nfs/dbraw/zinc/77/04/38/386770438.db2.gz TXXMMZKRYMOQRA-NFAWXSAZSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000414502057 386770886 /nfs/dbraw/zinc/77/08/86/386770886.db2.gz TXXMMZKRYMOQRA-UMVBOHGHSA-N 1 0 249.423 3.664 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414504284 386773500 /nfs/dbraw/zinc/77/35/00/386773500.db2.gz RXXVUYBVFXRBRN-AHTUEQHWSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414504286 386774048 /nfs/dbraw/zinc/77/40/48/386774048.db2.gz RXXVUYBVFXRBRN-CSPHYMHISA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414504288 386772994 /nfs/dbraw/zinc/77/29/94/386772994.db2.gz RXXVUYBVFXRBRN-QFGWSVGLSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414504289 200754327 /nfs/dbraw/zinc/75/43/27/200754327.db2.gz RXXVUYBVFXRBRN-RKIJOGDYSA-N 1 0 247.407 3.574 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000414507074 386791981 /nfs/dbraw/zinc/79/19/81/386791981.db2.gz ADEBLSKEMLABLD-ZIAGYGMSSA-N 1 0 246.329 3.538 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414507665 191525433 /nfs/dbraw/zinc/52/54/33/191525433.db2.gz AAUBHWCFJXDHMO-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414507666 191524825 /nfs/dbraw/zinc/52/48/25/191524825.db2.gz AAUBHWCFJXDHMO-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414507667 386799315 /nfs/dbraw/zinc/79/93/15/386799315.db2.gz AAUBHWCFJXDHMO-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414507668 386798417 /nfs/dbraw/zinc/79/84/17/386798417.db2.gz AAUBHWCFJXDHMO-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000414512325 385624126 /nfs/dbraw/zinc/62/41/26/385624126.db2.gz MXHVQNITSLWSGF-AJNJCKRNSA-N 1 0 233.330 3.570 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000414512326 385624164 /nfs/dbraw/zinc/62/41/64/385624164.db2.gz MXHVQNITSLWSGF-VOTDVEDPSA-N 1 0 233.330 3.570 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2ccoc21 ZINC000414513275 385634387 /nfs/dbraw/zinc/63/43/87/385634387.db2.gz OXCPGHQXFKVJAL-ZIAGYGMSSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000414515155 385636514 /nfs/dbraw/zinc/63/65/14/385636514.db2.gz TVUIIDYRQXCAMS-ZIAGYGMSSA-N 1 0 247.313 3.803 20 0 BHADRO CC[C@H](C[NH2+]C1CC2(CCC2)C1)CC(F)(F)F ZINC000414516292 385636820 /nfs/dbraw/zinc/63/68/20/385636820.db2.gz OBWMXBIIOWQVAI-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](C[NH2+]C1CC2(CCC2)C1)CC(F)(F)F ZINC000414516294 385636154 /nfs/dbraw/zinc/63/61/54/385636154.db2.gz OBWMXBIIOWQVAI-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000414517596 191526295 /nfs/dbraw/zinc/52/62/95/191526295.db2.gz ZZKPZQYRQGGDFY-BPLDGKMQSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000414517602 385643020 /nfs/dbraw/zinc/64/30/20/385643020.db2.gz ZZKPZQYRQGGDFY-NWANDNLSSA-N 1 0 235.346 3.660 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414529315 385682253 /nfs/dbraw/zinc/68/22/53/385682253.db2.gz CIBRMKFZSLESOX-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414529316 385683166 /nfs/dbraw/zinc/68/31/66/385683166.db2.gz CIBRMKFZSLESOX-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414529318 385682284 /nfs/dbraw/zinc/68/22/84/385682284.db2.gz CIBRMKFZSLESOX-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414529319 385683411 /nfs/dbraw/zinc/68/34/11/385683411.db2.gz CIBRMKFZSLESOX-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)cn1 ZINC000414535301 487814689 /nfs/dbraw/zinc/81/46/89/487814689.db2.gz LFXKOHSPDGMTRV-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)cn1 ZINC000414535303 487814541 /nfs/dbraw/zinc/81/45/41/487814541.db2.gz LFXKOHSPDGMTRV-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)cn1 ZINC000414535306 487814789 /nfs/dbraw/zinc/81/47/89/487814789.db2.gz LFXKOHSPDGMTRV-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)cn1 ZINC000414535309 487814757 /nfs/dbraw/zinc/81/47/57/487814757.db2.gz LFXKOHSPDGMTRV-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000414536174 385693751 /nfs/dbraw/zinc/69/37/51/385693751.db2.gz MTXZFTJXYKZBHU-JHJVBQTASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000414536176 385694701 /nfs/dbraw/zinc/69/47/01/385694701.db2.gz MTXZFTJXYKZBHU-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000414536178 385693727 /nfs/dbraw/zinc/69/37/27/385693727.db2.gz MTXZFTJXYKZBHU-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000414536180 385693675 /nfs/dbraw/zinc/69/36/75/385693675.db2.gz MTXZFTJXYKZBHU-YNEHKIRRSA-N 1 0 241.444 3.544 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C2CC(C)(C)C2)cn1 ZINC000414536579 385704363 /nfs/dbraw/zinc/70/43/63/385704363.db2.gz NGUQGCKZUCTPAJ-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO CC[N@H+](C/C=C/c1ccncc1)C1CC(C)(C)C1 ZINC000414537540 385700512 /nfs/dbraw/zinc/70/05/12/385700512.db2.gz PEBXJUOWYBLXNE-AATRIKPKSA-N 1 0 244.382 3.605 20 0 BHADRO CC[N@H+](C/C=C\c1ccncc1)C1CC(C)(C)C1 ZINC000414537541 385700857 /nfs/dbraw/zinc/70/08/57/385700857.db2.gz PEBXJUOWYBLXNE-WAYWQWQTSA-N 1 0 244.382 3.605 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414540050 385705469 /nfs/dbraw/zinc/70/54/69/385705469.db2.gz TYUFSVNEWIWUJV-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414540051 191531988 /nfs/dbraw/zinc/53/19/88/191531988.db2.gz TYUFSVNEWIWUJV-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414540053 191532232 /nfs/dbraw/zinc/53/22/32/191532232.db2.gz TYUFSVNEWIWUJV-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414540055 385705117 /nfs/dbraw/zinc/70/51/17/385705117.db2.gz TYUFSVNEWIWUJV-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)nc1 ZINC000414541048 385709567 /nfs/dbraw/zinc/70/95/67/385709567.db2.gz VSJAZEPVLRUTFF-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)nc1 ZINC000414541049 191531799 /nfs/dbraw/zinc/53/17/99/191531799.db2.gz VSJAZEPVLRUTFF-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)nc1 ZINC000414541050 385710996 /nfs/dbraw/zinc/71/09/96/385710996.db2.gz VSJAZEPVLRUTFF-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)nc1 ZINC000414541051 191532821 /nfs/dbraw/zinc/53/28/21/191532821.db2.gz VSJAZEPVLRUTFF-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO CCN(Cc1ccoc1C)Cc1occc1C ZINC000414543959 385716885 /nfs/dbraw/zinc/71/68/85/385716885.db2.gz CFBGAEWHPHWGBA-UHFFFAOYSA-N 1 0 233.311 3.512 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1sccc1C ZINC000414548862 385725961 /nfs/dbraw/zinc/72/59/61/385725961.db2.gz KYVFRIBLRGGYTR-UHFFFAOYSA-N 1 0 249.379 3.980 20 0 BHADRO CC[N@@H+](Cc1ccsc1)Cc1occc1C ZINC000414553616 385749575 /nfs/dbraw/zinc/74/95/75/385749575.db2.gz TWTIFIXHRBXSFD-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO CC(C)(C[NH2+]CC1CCCCC1)c1cccnc1 ZINC000414556330 385757452 /nfs/dbraw/zinc/75/74/52/385757452.db2.gz JYRBMGNZYODQBZ-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414561786 385807822 /nfs/dbraw/zinc/80/78/22/385807822.db2.gz AEHQEWRYZNLVIX-BPLDGKMQSA-N 1 0 241.334 3.529 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414561789 385808576 /nfs/dbraw/zinc/80/85/76/385808576.db2.gz AEHQEWRYZNLVIX-NWANDNLSSA-N 1 0 241.334 3.529 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC(C)(C)c1cccnc1 ZINC000414564188 385817580 /nfs/dbraw/zinc/81/75/80/385817580.db2.gz XKMWAWLBSAYGRK-AWEZNQCLSA-N 1 0 248.414 3.631 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC(C)(C)c1cccnc1 ZINC000414564190 385816819 /nfs/dbraw/zinc/81/68/19/385816819.db2.gz XKMWAWLBSAYGRK-CQSZACIVSA-N 1 0 248.414 3.631 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1C ZINC000414578014 397970947 /nfs/dbraw/zinc/97/09/47/397970947.db2.gz HWMANEYAMCHBFM-HUUCEWRRSA-N 1 0 241.334 3.542 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414581176 385851173 /nfs/dbraw/zinc/85/11/73/385851173.db2.gz KKGZCZBVHZBFEM-CHWSQXEVSA-N 1 0 247.725 3.579 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414581848 385854832 /nfs/dbraw/zinc/85/48/32/385854832.db2.gz KUCWWNQTZCPBBR-NWINJMCUSA-N 1 0 233.355 3.551 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414583225 385862745 /nfs/dbraw/zinc/86/27/45/385862745.db2.gz LPBAVMUXJXOWHB-FIYWTHMPSA-N 1 0 233.355 3.550 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000414583315 385858667 /nfs/dbraw/zinc/85/86/67/385858667.db2.gz LTLDVYXTUMGSON-HUUCEWRRSA-N 1 0 241.334 3.542 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1C ZINC000414583348 385858317 /nfs/dbraw/zinc/85/83/17/385858317.db2.gz LUVIXAGHHMPIBQ-HUUCEWRRSA-N 1 0 241.334 3.542 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414584935 385864066 /nfs/dbraw/zinc/86/40/66/385864066.db2.gz NGCYVVDKUYZDMC-CHWSQXEVSA-N 1 0 247.725 3.579 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414585629 397976430 /nfs/dbraw/zinc/97/64/30/397976430.db2.gz OCKCYTNBFUMMFY-AAVRWANBSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414585632 191536154 /nfs/dbraw/zinc/53/61/54/191536154.db2.gz OCKCYTNBFUMMFY-IGQOVBAYSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414585633 397976396 /nfs/dbraw/zinc/97/63/96/397976396.db2.gz OCKCYTNBFUMMFY-REWJHTLYSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414585636 191536155 /nfs/dbraw/zinc/53/61/55/191536155.db2.gz OCKCYTNBFUMMFY-XJFOESAGSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414598404 385900218 /nfs/dbraw/zinc/90/02/18/385900218.db2.gz YFGKGROFLWTQGC-AAVRWANBSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414598406 191537768 /nfs/dbraw/zinc/53/77/68/191537768.db2.gz YFGKGROFLWTQGC-IGQOVBAYSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414598408 385900103 /nfs/dbraw/zinc/90/01/03/385900103.db2.gz YFGKGROFLWTQGC-REWJHTLYSA-N 1 0 233.355 3.551 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414598409 385900242 /nfs/dbraw/zinc/90/02/42/385900242.db2.gz YFGKGROFLWTQGC-XJFOESAGSA-N 1 0 233.355 3.551 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+]CCC2CCCCC2)c1 ZINC000414598748 191537014 /nfs/dbraw/zinc/53/70/14/191537014.db2.gz YLEJHKYENAWGNO-ZIAGYGMSSA-N 1 0 233.355 3.696 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414599051 385903768 /nfs/dbraw/zinc/90/37/68/385903768.db2.gz YXOXWRWMMOSTKF-UKRRQHHQSA-N 1 0 241.334 3.542 20 0 BHADRO Clc1ccccc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414599056 385902722 /nfs/dbraw/zinc/90/27/22/385902722.db2.gz YXWJMSICLHADIN-DGCLKSJQSA-N 1 0 247.725 3.579 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414599529 385904678 /nfs/dbraw/zinc/90/46/78/385904678.db2.gz ZPTCVMKMWUJDEQ-HUUCEWRRSA-N 1 0 241.334 3.542 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414599625 385905151 /nfs/dbraw/zinc/90/51/51/385905151.db2.gz ZZCCMALMHBOWAB-HUUCEWRRSA-N 1 0 241.334 3.542 20 0 BHADRO Cc1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414798208 191573267 /nfs/dbraw/zinc/57/32/67/191573267.db2.gz BRAROIOQYSIFNH-LLVKDONJSA-N 1 0 246.379 3.688 20 0 BHADRO Cc1ccc(CNc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414798210 386584929 /nfs/dbraw/zinc/58/49/29/386584929.db2.gz BRAROIOQYSIFNH-NSHDSACASA-N 1 0 246.379 3.688 20 0 BHADRO CC(C)C[C@@H](C)CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414800719 386587658 /nfs/dbraw/zinc/58/76/58/386587658.db2.gz IJOMELZVUBWTRF-CHWSQXEVSA-N 1 0 234.387 3.800 20 0 BHADRO CC(C)C[C@@H](C)CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414800720 386588498 /nfs/dbraw/zinc/58/84/98/386588498.db2.gz IJOMELZVUBWTRF-OLZOCXBDSA-N 1 0 234.387 3.800 20 0 BHADRO CC(C)C[C@H](C)CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414800721 386587513 /nfs/dbraw/zinc/58/75/13/386587513.db2.gz IJOMELZVUBWTRF-QWHCGFSZSA-N 1 0 234.387 3.800 20 0 BHADRO CC(C)C[C@H](C)CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414800722 386587240 /nfs/dbraw/zinc/58/72/40/386587240.db2.gz IJOMELZVUBWTRF-STQMWFEESA-N 1 0 234.387 3.800 20 0 BHADRO CCC(CC)CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414802069 386602622 /nfs/dbraw/zinc/60/26/22/386602622.db2.gz HRRWUORFGMWSQY-LLVKDONJSA-N 1 0 220.360 3.554 20 0 BHADRO CCC(CC)CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414802071 386602078 /nfs/dbraw/zinc/60/20/78/386602078.db2.gz HRRWUORFGMWSQY-NSHDSACASA-N 1 0 220.360 3.554 20 0 BHADRO Cc1cccc(CNc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414805073 386610086 /nfs/dbraw/zinc/61/00/86/386610086.db2.gz LQXQZSJWKHRMKA-CYBMUJFWSA-N 1 0 240.350 3.627 20 0 BHADRO Cc1cccc(CNc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414805074 191576773 /nfs/dbraw/zinc/57/67/73/191576773.db2.gz LQXQZSJWKHRMKA-ZDUSSCGKSA-N 1 0 240.350 3.627 20 0 BHADRO CCC[C@@H](C)CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414812357 191579284 /nfs/dbraw/zinc/57/92/84/191579284.db2.gz PCHTWAMLKCJPLB-NEPJUHHUSA-N 1 0 220.360 3.554 20 0 BHADRO CCC[C@H](C)CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812360 386641127 /nfs/dbraw/zinc/64/11/27/386641127.db2.gz PCHTWAMLKCJPLB-NWDGAFQWSA-N 1 0 220.360 3.554 20 0 BHADRO CCC[C@H](C)CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414812363 386640126 /nfs/dbraw/zinc/64/01/26/386640126.db2.gz PCHTWAMLKCJPLB-RYUDHWBXSA-N 1 0 220.360 3.554 20 0 BHADRO CCC[C@@H](C)CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812364 386639785 /nfs/dbraw/zinc/63/97/85/386639785.db2.gz PCHTWAMLKCJPLB-VXGBXAGGSA-N 1 0 220.360 3.554 20 0 BHADRO C[C@@H]([NH3+])c1ccc(NCC2CCCCC2)cc1 ZINC000414813993 386637734 /nfs/dbraw/zinc/63/77/34/386637734.db2.gz RGFGGQJQMMHJKH-GFCCVEGCSA-N 1 0 232.371 3.699 20 0 BHADRO C[C@H]([NH3+])c1ccc(NCC2CCCCC2)cc1 ZINC000414813996 191579690 /nfs/dbraw/zinc/57/96/90/191579690.db2.gz RGFGGQJQMMHJKH-LBPRGKRZSA-N 1 0 232.371 3.699 20 0 BHADRO Cc1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815490 200767361 /nfs/dbraw/zinc/76/73/61/200767361.db2.gz UFNDFPWNYLAEDV-CYBMUJFWSA-N 1 0 240.350 3.627 20 0 BHADRO Cc1ccc(CNc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815491 386648963 /nfs/dbraw/zinc/64/89/63/386648963.db2.gz UFNDFPWNYLAEDV-ZDUSSCGKSA-N 1 0 240.350 3.627 20 0 BHADRO CC(C)CCCNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815540 386648643 /nfs/dbraw/zinc/64/86/43/386648643.db2.gz UOZHLEUUIFNPMQ-GFCCVEGCSA-N 1 0 220.360 3.554 20 0 BHADRO CC(C)CCCNc1ccc([C@H](C)[NH3+])cc1 ZINC000414815541 200767459 /nfs/dbraw/zinc/76/74/59/200767459.db2.gz UOZHLEUUIFNPMQ-LBPRGKRZSA-N 1 0 220.360 3.554 20 0 BHADRO Cc1ccccc1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414816117 200766557 /nfs/dbraw/zinc/76/65/57/200766557.db2.gz WDPSCGZTZZGRHU-CYBMUJFWSA-N 1 0 240.350 3.627 20 0 BHADRO Cc1ccccc1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414816118 386653523 /nfs/dbraw/zinc/65/35/23/386653523.db2.gz WDPSCGZTZZGRHU-ZDUSSCGKSA-N 1 0 240.350 3.627 20 0 BHADRO C[C@@H]([NH3+])c1ccc(NCCC(C)(C)C)cc1 ZINC000414816716 386659024 /nfs/dbraw/zinc/65/90/24/386659024.db2.gz XZWZLDXVSWPXED-LLVKDONJSA-N 1 0 220.360 3.554 20 0 BHADRO C[C@H]([NH3+])c1ccc(NCCC(C)(C)C)cc1 ZINC000414816717 386659109 /nfs/dbraw/zinc/65/91/09/386659109.db2.gz XZWZLDXVSWPXED-NSHDSACASA-N 1 0 220.360 3.554 20 0 BHADRO Cc1ccsc1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414817427 386655132 /nfs/dbraw/zinc/65/51/32/386655132.db2.gz ZWJCTVPZHDFVRY-LLVKDONJSA-N 1 0 246.379 3.688 20 0 BHADRO Cc1ccsc1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414817428 386655403 /nfs/dbraw/zinc/65/54/03/386655403.db2.gz ZWJCTVPZHDFVRY-NSHDSACASA-N 1 0 246.379 3.688 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000414852010 385668431 /nfs/dbraw/zinc/66/84/31/385668431.db2.gz VGGSXGZVSJXYPS-BBRMVZONSA-N 1 0 248.414 3.588 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000414852016 385668372 /nfs/dbraw/zinc/66/83/72/385668372.db2.gz VGGSXGZVSJXYPS-CJNGLKHVSA-N 1 0 248.414 3.588 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000414852020 219882782 /nfs/dbraw/zinc/88/27/82/219882782.db2.gz VGGSXGZVSJXYPS-CZUORRHYSA-N 1 0 248.414 3.588 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000414852023 491111042 /nfs/dbraw/zinc/11/10/42/491111042.db2.gz VGGSXGZVSJXYPS-XJKSGUPXSA-N 1 0 248.414 3.588 20 0 BHADRO CC(C)(C)CNc1ccc2c(c1)CCCN2 ZINC000414852148 385671907 /nfs/dbraw/zinc/67/19/07/385671907.db2.gz PHSDLOYPURQTSI-UHFFFAOYSA-N 1 0 218.344 3.503 20 0 BHADRO C[NH2+]Cc1cccc(NC[C@H](C)CC(C)C)c1 ZINC000414859127 191603345 /nfs/dbraw/zinc/60/33/45/191603345.db2.gz ANENVOQEOLUFCG-CYBMUJFWSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1cccc(NC[C@@H](C)CC(C)C)c1 ZINC000414859129 385741669 /nfs/dbraw/zinc/74/16/69/385741669.db2.gz ANENVOQEOLUFCG-ZDUSSCGKSA-N 1 0 234.387 3.500 20 0 BHADRO CC[NH2+]Cc1cccc(NCCC(C)(C)C)c1 ZINC000414868026 323151715 /nfs/dbraw/zinc/15/17/15/323151715.db2.gz OIXABQJSXVVEAZ-UHFFFAOYSA-N 1 0 234.387 3.644 20 0 BHADRO CC[NH2+]Cc1ccccc1NCCC(C)(C)C ZINC000414872013 385861708 /nfs/dbraw/zinc/86/17/08/385861708.db2.gz VAIIIPORJCGJNN-UHFFFAOYSA-N 1 0 234.387 3.644 20 0 BHADRO C[NH2+]Cc1ccccc1NC[C@H](C)CC(C)C ZINC000414874401 191609934 /nfs/dbraw/zinc/60/99/34/191609934.db2.gz YCUWVHGTRPHYHF-CYBMUJFWSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1ccccc1NC[C@@H](C)CC(C)C ZINC000414874403 191610420 /nfs/dbraw/zinc/61/04/20/191610420.db2.gz YCUWVHGTRPHYHF-ZDUSSCGKSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1cccc(N[C@H](C)C2CCCCC2)c1 ZINC000414874769 385888550 /nfs/dbraw/zinc/88/85/50/385888550.db2.gz ZCRGYUJCGGYKFF-CYBMUJFWSA-N 1 0 246.398 3.787 20 0 BHADRO C[NH2+]Cc1cccc(N[C@@H](C)C2CCCCC2)c1 ZINC000414874770 385889871 /nfs/dbraw/zinc/88/98/71/385889871.db2.gz ZCRGYUJCGGYKFF-ZDUSSCGKSA-N 1 0 246.398 3.787 20 0 BHADRO C[C@@H](Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000414909173 386412963 /nfs/dbraw/zinc/41/29/63/386412963.db2.gz GAIPPDFNINHRMJ-GFCCVEGCSA-N 1 0 232.371 3.526 20 0 BHADRO C[C@H](Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000414909175 191622219 /nfs/dbraw/zinc/62/22/19/191622219.db2.gz GAIPPDFNINHRMJ-LBPRGKRZSA-N 1 0 232.371 3.526 20 0 BHADRO [NH3+]Cc1ccc(NCC2CCCCCC2)cc1 ZINC000414916945 386525781 /nfs/dbraw/zinc/52/57/81/386525781.db2.gz URNKQJVGZZKCJP-UHFFFAOYSA-N 1 0 232.371 3.528 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414921564 205784246 /nfs/dbraw/zinc/78/42/46/205784246.db2.gz DTOOERMMHYWDNW-INIZCTEOSA-N 1 0 246.398 3.672 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414921565 386579328 /nfs/dbraw/zinc/57/93/28/386579328.db2.gz DTOOERMMHYWDNW-MRXNPFEDSA-N 1 0 246.398 3.672 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414922763 386593477 /nfs/dbraw/zinc/59/34/77/386593477.db2.gz GMICGRKISXENAV-BLLLJJGKSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414922765 386594383 /nfs/dbraw/zinc/59/43/83/386594383.db2.gz GMICGRKISXENAV-LRDDRELGSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414922767 386593571 /nfs/dbraw/zinc/59/35/71/386593571.db2.gz GMICGRKISXENAV-MLGOLLRUSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414922769 386592759 /nfs/dbraw/zinc/59/27/59/386592759.db2.gz GMICGRKISXENAV-WBMJQRKESA-N 1 0 246.398 3.815 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414923744 200782291 /nfs/dbraw/zinc/78/22/91/200782291.db2.gz HWMOYJFGIVSNDB-HNNXBMFYSA-N 1 0 246.398 3.672 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414923746 200782213 /nfs/dbraw/zinc/78/22/13/200782213.db2.gz HWMOYJFGIVSNDB-OAHLLOKOSA-N 1 0 246.398 3.672 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414931130 386760078 /nfs/dbraw/zinc/76/00/78/386760078.db2.gz POAFHPITPOIRKJ-INIZCTEOSA-N 1 0 246.398 3.672 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414931132 386760804 /nfs/dbraw/zinc/76/08/04/386760804.db2.gz POAFHPITPOIRKJ-MRXNPFEDSA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414935048 386804507 /nfs/dbraw/zinc/80/45/07/386804507.db2.gz UERZGOLUPFYVLD-BLLLJJGKSA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414935050 386804152 /nfs/dbraw/zinc/80/41/52/386804152.db2.gz UERZGOLUPFYVLD-LRDDRELGSA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414935053 205789837 /nfs/dbraw/zinc/78/98/37/205789837.db2.gz UERZGOLUPFYVLD-MLGOLLRUSA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414935056 386802572 /nfs/dbraw/zinc/80/25/72/386802572.db2.gz UERZGOLUPFYVLD-WBMJQRKESA-N 1 0 246.398 3.672 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414941133 386889557 /nfs/dbraw/zinc/88/95/57/386889557.db2.gz YKFWSMFFZPPLHG-GDBMZVCRSA-N 1 0 246.398 3.815 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414941135 386889018 /nfs/dbraw/zinc/88/90/18/386889018.db2.gz YKFWSMFFZPPLHG-GOEBONIOSA-N 1 0 246.398 3.815 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414941136 386888687 /nfs/dbraw/zinc/88/86/87/386888687.db2.gz YKFWSMFFZPPLHG-HOCLYGCPSA-N 1 0 246.398 3.815 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414941139 191628666 /nfs/dbraw/zinc/62/86/66/191628666.db2.gz YKFWSMFFZPPLHG-ZBFHGGJFSA-N 1 0 246.398 3.815 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000414957954 352378460 /nfs/dbraw/zinc/37/84/60/352378460.db2.gz CGBPWBKUARDVEK-BBRMVZONSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000414957959 352378613 /nfs/dbraw/zinc/37/86/13/352378613.db2.gz CGBPWBKUARDVEK-CJNGLKHVSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000414957961 352378638 /nfs/dbraw/zinc/37/86/38/352378638.db2.gz CGBPWBKUARDVEK-CZUORRHYSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000414957963 385855997 /nfs/dbraw/zinc/85/59/97/385855997.db2.gz CGBPWBKUARDVEK-XJKSGUPXSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@H](C)CC2CCCC2)c1 ZINC000414958473 205794343 /nfs/dbraw/zinc/79/43/43/205794343.db2.gz DECFWRQFVYHGAH-CYBMUJFWSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@@H](C)CC2CCCC2)c1 ZINC000414958476 385857912 /nfs/dbraw/zinc/85/79/12/385857912.db2.gz DECFWRQFVYHGAH-ZDUSSCGKSA-N 1 0 246.398 3.636 20 0 BHADRO CCC1CCC([NH2+]Cc2cc(C)cc(N)c2)CC1 ZINC000414959422 385866473 /nfs/dbraw/zinc/86/64/73/385866473.db2.gz FJOQHIJOVUBOAB-UHFFFAOYSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+]CC2CCCCCC2)c1 ZINC000414959992 200786027 /nfs/dbraw/zinc/78/60/27/200786027.db2.gz GNGDHWQICNSYMF-UHFFFAOYSA-N 1 0 246.398 3.637 20 0 BHADRO Cc1cc(N)cc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000414967070 385926534 /nfs/dbraw/zinc/92/65/34/385926534.db2.gz PKZMGGIQOAWUFC-UHFFFAOYSA-N 1 0 246.398 3.636 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000414967114 385928431 /nfs/dbraw/zinc/92/84/31/385928431.db2.gz PNUZZRWQQKNQMR-UHFFFAOYSA-N 1 0 234.387 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000414967269 385927716 /nfs/dbraw/zinc/92/77/16/385927716.db2.gz PZZPYKCLJOMXJB-CYBMUJFWSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000414967270 385927848 /nfs/dbraw/zinc/92/78/48/385927848.db2.gz PZZPYKCLJOMXJB-ZDUSSCGKSA-N 1 0 246.398 3.636 20 0 BHADRO C[NH2+]Cc1ccc(NC[C@H](C)CC(C)C)cc1 ZINC000414967310 385929030 /nfs/dbraw/zinc/92/90/30/385929030.db2.gz BAPYMHAAQLOPRQ-CYBMUJFWSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1ccc(NC[C@@H](C)CC(C)C)cc1 ZINC000414967311 385927052 /nfs/dbraw/zinc/92/70/52/385927052.db2.gz BAPYMHAAQLOPRQ-ZDUSSCGKSA-N 1 0 234.387 3.500 20 0 BHADRO Cc1cc(N)cc(C[NH2+]CCC2CCCCC2)c1 ZINC000414969675 191637144 /nfs/dbraw/zinc/63/71/44/191637144.db2.gz SWOKERDXPJNKMQ-UHFFFAOYSA-N 1 0 246.398 3.637 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000414971041 385964479 /nfs/dbraw/zinc/96/44/79/385964479.db2.gz VPDWMHBPQACQPL-HNNXBMFYSA-N 1 0 234.387 3.636 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000414971042 385968156 /nfs/dbraw/zinc/96/81/56/385968156.db2.gz VPDWMHBPQACQPL-OAHLLOKOSA-N 1 0 234.387 3.636 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414976662 386025522 /nfs/dbraw/zinc/02/55/22/386025522.db2.gz ITRRJLDIMNHSST-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO C[NH2+]Cc1ccc(N[C@H](C)C2CCCCC2)cc1 ZINC000414977572 386023661 /nfs/dbraw/zinc/02/36/61/386023661.db2.gz QJNKAPWSAGWKRR-CYBMUJFWSA-N 1 0 246.398 3.787 20 0 BHADRO C[NH2+]Cc1ccc(N[C@@H](C)C2CCCCC2)cc1 ZINC000414977573 386022415 /nfs/dbraw/zinc/02/24/15/386022415.db2.gz QJNKAPWSAGWKRR-ZDUSSCGKSA-N 1 0 246.398 3.787 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414981720 386069081 /nfs/dbraw/zinc/06/90/81/386069081.db2.gz RDUZYVFEVZDNBH-HNNXBMFYSA-N 1 0 246.398 3.713 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414981721 191640391 /nfs/dbraw/zinc/64/03/91/191640391.db2.gz RDUZYVFEVZDNBH-OAHLLOKOSA-N 1 0 246.398 3.713 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000415034753 386522329 /nfs/dbraw/zinc/52/23/29/386522329.db2.gz LRJGOAFCKMHDOP-CYBMUJFWSA-N 1 0 246.398 3.569 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000415034755 386522361 /nfs/dbraw/zinc/52/23/61/386522361.db2.gz LRJGOAFCKMHDOP-ZDUSSCGKSA-N 1 0 246.398 3.569 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cccc2c1CCCN2 ZINC000415038049 386523368 /nfs/dbraw/zinc/52/33/68/386523368.db2.gz PGIXVJBEURNFLP-UHFFFAOYSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cccc2c1CCCN2 ZINC000415039650 191659835 /nfs/dbraw/zinc/65/98/35/191659835.db2.gz QWLUGNLDNJDGJW-AWEZNQCLSA-N 1 0 246.398 3.713 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cccc2c1CCCN2 ZINC000415039653 386526402 /nfs/dbraw/zinc/52/64/02/386526402.db2.gz QWLUGNLDNJDGJW-CQSZACIVSA-N 1 0 246.398 3.713 20 0 BHADRO CC[NH2+]Cc1nc(C2CCCCC2)c(C)s1 ZINC000416397722 386292103 /nfs/dbraw/zinc/29/21/03/386292103.db2.gz BLFMXGFVCQLBHS-UHFFFAOYSA-N 1 0 238.400 3.609 20 0 BHADRO CC[NH2+]Cc1nc(C2CCCCCC2)cs1 ZINC000416399772 386293144 /nfs/dbraw/zinc/29/31/44/386293144.db2.gz IITFUVOXQOGLGP-UHFFFAOYSA-N 1 0 238.400 3.690 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417299680 386478534 /nfs/dbraw/zinc/47/85/34/386478534.db2.gz NKCSFWMPQVRYKO-KGYLQXTDSA-N 1 0 235.396 3.772 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417299686 386477442 /nfs/dbraw/zinc/47/74/42/386477442.db2.gz NKCSFWMPQVRYKO-WCFLWFBJSA-N 1 0 235.396 3.772 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302594 386477489 /nfs/dbraw/zinc/47/74/89/386477489.db2.gz RCIWKHFAICZJHE-FIQHERPVSA-N 1 0 223.385 3.628 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302595 386477649 /nfs/dbraw/zinc/47/76/49/386477649.db2.gz RCIWKHFAICZJHE-NOOOWODRSA-N 1 0 223.385 3.628 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302596 386478663 /nfs/dbraw/zinc/47/86/63/386478663.db2.gz RCIWKHFAICZJHE-WHOHXGKFSA-N 1 0 223.385 3.628 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302597 386478642 /nfs/dbraw/zinc/47/86/42/386478642.db2.gz RCIWKHFAICZJHE-WISYIIOYSA-N 1 0 223.385 3.628 20 0 BHADRO CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417303984 386478167 /nfs/dbraw/zinc/47/81/67/386478167.db2.gz SZTVOJUOLKEZNS-GRYCIOLGSA-N 1 0 223.385 3.630 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417303986 386477385 /nfs/dbraw/zinc/47/73/85/386477385.db2.gz SZTVOJUOLKEZNS-SDDRHHMPSA-N 1 0 223.385 3.630 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417304021 386477991 /nfs/dbraw/zinc/47/79/91/386477991.db2.gz TUAFVGROXBMYGG-FRRDWIJNSA-N 1 0 237.412 3.876 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417304036 386477095 /nfs/dbraw/zinc/47/70/95/386477095.db2.gz TUAFVGROXBMYGG-RWMBFGLXSA-N 1 0 237.412 3.876 20 0 BHADRO C[C@@H]([NH2+]Cc1ccco1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306170 191787236 /nfs/dbraw/zinc/78/72/36/191787236.db2.gz ZODRNVFYMCKBAA-KGYLQXTDSA-N 1 0 247.363 3.623 20 0 BHADRO C[C@H]([NH2+]Cc1ccco1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306171 386481388 /nfs/dbraw/zinc/48/13/88/386481388.db2.gz ZODRNVFYMCKBAA-WCFLWFBJSA-N 1 0 247.363 3.623 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307091 386480110 /nfs/dbraw/zinc/48/01/10/386480110.db2.gz FANNLHYDPKDBPG-NPBHJFFNSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307092 191787010 /nfs/dbraw/zinc/78/70/10/191787010.db2.gz FANNLHYDPKDBPG-ZWMSFMBMSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309004 386481128 /nfs/dbraw/zinc/48/11/28/386481128.db2.gz ITCIXIYKWXDBKG-GRYCIOLGSA-N 1 0 235.396 3.630 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309005 386481277 /nfs/dbraw/zinc/48/12/77/386481277.db2.gz ITCIXIYKWXDBKG-SDDRHHMPSA-N 1 0 235.396 3.630 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311766 487923789 /nfs/dbraw/zinc/92/37/89/487923789.db2.gz PVWUZQZAMWNREZ-KGYLQXTDSA-N 1 0 235.396 3.630 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311767 487923760 /nfs/dbraw/zinc/92/37/60/487923760.db2.gz PVWUZQZAMWNREZ-WCFLWFBJSA-N 1 0 235.396 3.630 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311817 386480997 /nfs/dbraw/zinc/48/09/97/386480997.db2.gz QGFCTPPGQBWPGF-RFQIPJPRSA-N 1 0 247.407 3.938 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311818 386480520 /nfs/dbraw/zinc/48/05/20/386480520.db2.gz QGFCTPPGQBWPGF-XDQVBPFNSA-N 1 0 247.407 3.938 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311819 386480326 /nfs/dbraw/zinc/48/03/26/386480326.db2.gz QGFCTPPGQBWPGF-YIYPIFLZSA-N 1 0 247.407 3.938 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311820 191788259 /nfs/dbraw/zinc/78/82/59/191788259.db2.gz QGFCTPPGQBWPGF-ZOBORPQBSA-N 1 0 247.407 3.938 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316302 386483822 /nfs/dbraw/zinc/48/38/22/386483822.db2.gz ASKNVZGBIVTCJX-KSSYENDESA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316303 191787770 /nfs/dbraw/zinc/78/77/70/191787770.db2.gz ASKNVZGBIVTCJX-LBELIVKGSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316304 386483317 /nfs/dbraw/zinc/48/33/17/386483317.db2.gz ASKNVZGBIVTCJX-SJHCENCUSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316305 386483400 /nfs/dbraw/zinc/48/34/00/386483400.db2.gz ASKNVZGBIVTCJX-UJPOAAIJSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317518 386496546 /nfs/dbraw/zinc/49/65/46/386496546.db2.gz IXRBZSXQKNWVBW-KQXIARHKSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317519 386495382 /nfs/dbraw/zinc/49/53/82/386495382.db2.gz IXRBZSXQKNWVBW-LSCVPOLPSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317520 191792243 /nfs/dbraw/zinc/79/22/43/191792243.db2.gz IXRBZSXQKNWVBW-MEWQQHAOSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317521 386496582 /nfs/dbraw/zinc/49/65/82/386496582.db2.gz IXRBZSXQKNWVBW-XZUYRWCXSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323572 386498409 /nfs/dbraw/zinc/49/84/09/386498409.db2.gz OSLNUFHHRMMEQC-JULQROHOSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417323573 386498813 /nfs/dbraw/zinc/49/88/13/386498813.db2.gz OSLNUFHHRMMEQC-RSLMWUCJSA-N 1 0 235.396 3.628 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417323574 386499562 /nfs/dbraw/zinc/49/95/62/386499562.db2.gz OSLNUFHHRMMEQC-VCDKRKBESA-N 1 0 235.396 3.628 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417323575 386498375 /nfs/dbraw/zinc/49/83/75/386498375.db2.gz OSLNUFHHRMMEQC-XRRVDJEJSA-N 1 0 235.396 3.628 20 0 BHADRO c1ccc([C@H]([NH2+]C[C@H]2CC23CC3)C2CC2)cc1 ZINC000417329996 386501970 /nfs/dbraw/zinc/50/19/70/386501970.db2.gz ACELFRYOKZVSSK-CABCVRRESA-N 1 0 227.351 3.527 20 0 BHADRO c1ccc([C@H]([NH2+]C[C@@H]2CC23CC3)C2CC2)cc1 ZINC000417329998 191793759 /nfs/dbraw/zinc/79/37/59/191793759.db2.gz ACELFRYOKZVSSK-GJZGRUSLSA-N 1 0 227.351 3.527 20 0 BHADRO c1ccc([C@@H]([NH2+]C[C@H]2CC23CC3)C2CC2)cc1 ZINC000417330000 191793087 /nfs/dbraw/zinc/79/30/87/191793087.db2.gz ACELFRYOKZVSSK-HUUCEWRRSA-N 1 0 227.351 3.527 20 0 BHADRO c1ccc([C@@H]([NH2+]C[C@@H]2CC23CC3)C2CC2)cc1 ZINC000417330002 386501484 /nfs/dbraw/zinc/50/14/84/386501484.db2.gz ACELFRYOKZVSSK-LSDHHAIUSA-N 1 0 227.351 3.527 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417330633 386501581 /nfs/dbraw/zinc/50/15/81/386501581.db2.gz AXZXKXSJPUHOBV-DOMZBBRYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417330644 386501672 /nfs/dbraw/zinc/50/16/72/386501672.db2.gz AXZXKXSJPUHOBV-IUODEOHRSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417330645 386501755 /nfs/dbraw/zinc/50/17/55/386501755.db2.gz AXZXKXSJPUHOBV-SWLSCSKDSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417330646 386501525 /nfs/dbraw/zinc/50/15/25/386501525.db2.gz AXZXKXSJPUHOBV-WFASDCNBSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CC12CC2 ZINC000417330658 386501616 /nfs/dbraw/zinc/50/16/16/386501616.db2.gz AYNHCZXLKJLLSK-GXTWGEPZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC12CC2 ZINC000417330668 191793281 /nfs/dbraw/zinc/79/32/81/191793281.db2.gz AYNHCZXLKJLLSK-JSGCOSHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC12CC2 ZINC000417330670 386501319 /nfs/dbraw/zinc/50/13/19/386501319.db2.gz AYNHCZXLKJLLSK-OCCSQVGLSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CC12CC2 ZINC000417330671 386501782 /nfs/dbraw/zinc/50/17/82/386501782.db2.gz AYNHCZXLKJLLSK-TZMCWYRMSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417331128 386502011 /nfs/dbraw/zinc/50/20/11/386502011.db2.gz BHSZQDWOFMBQMH-AAEUAGOBSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC12CC2 ZINC000417331132 191793389 /nfs/dbraw/zinc/79/33/89/191793389.db2.gz BHSZQDWOFMBQMH-DGCLKSJQSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC12CC2 ZINC000417331133 386501937 /nfs/dbraw/zinc/50/19/37/386501937.db2.gz BHSZQDWOFMBQMH-WCQYABFASA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417331134 386501610 /nfs/dbraw/zinc/50/16/10/386501610.db2.gz BHSZQDWOFMBQMH-YPMHNXCESA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)C(C)(C)c1ccccc1 ZINC000417331428 386501717 /nfs/dbraw/zinc/50/17/17/386501717.db2.gz BQBVXZIFQSZGRX-DZGCQCFKSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)C(C)(C)c1ccccc1 ZINC000417331429 386500757 /nfs/dbraw/zinc/50/07/57/386500757.db2.gz BQBVXZIFQSZGRX-HIFRSBDPSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)C(C)(C)c1ccccc1 ZINC000417331430 386500903 /nfs/dbraw/zinc/50/09/03/386500903.db2.gz BQBVXZIFQSZGRX-UKRRQHHQSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)C(C)(C)c1ccccc1 ZINC000417331431 386501851 /nfs/dbraw/zinc/50/18/51/386501851.db2.gz BQBVXZIFQSZGRX-ZFWWWQNUSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1csc(Cl)c1 ZINC000417331517 386501949 /nfs/dbraw/zinc/50/19/49/386501949.db2.gz BYJVCOAGGMRFNW-PSASIEDQSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000417331523 386501461 /nfs/dbraw/zinc/50/14/61/386501461.db2.gz BYJVCOAGGMRFNW-SCZZXKLOSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1csc(Cl)c1 ZINC000417331525 386501074 /nfs/dbraw/zinc/50/10/74/386501074.db2.gz BYJVCOAGGMRFNW-WCBMZHEXSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000417331526 386500683 /nfs/dbraw/zinc/50/06/83/386500683.db2.gz BYJVCOAGGMRFNW-WPRPVWTQSA-N 1 0 241.787 3.852 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417331985 386502081 /nfs/dbraw/zinc/50/20/81/386502081.db2.gz CKHZXBUOKMILBD-AAEUAGOBSA-N 1 0 245.366 3.683 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417331993 386501110 /nfs/dbraw/zinc/50/11/10/386501110.db2.gz CKHZXBUOKMILBD-DGCLKSJQSA-N 1 0 245.366 3.683 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417331994 386501194 /nfs/dbraw/zinc/50/11/94/386501194.db2.gz CKHZXBUOKMILBD-WCQYABFASA-N 1 0 245.366 3.683 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417331995 386501223 /nfs/dbraw/zinc/50/12/23/386501223.db2.gz CKHZXBUOKMILBD-YPMHNXCESA-N 1 0 245.366 3.683 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417332667 386501558 /nfs/dbraw/zinc/50/15/58/386501558.db2.gz DJVSMJBXSGTNHL-BZUAXINKSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417332668 191794493 /nfs/dbraw/zinc/79/44/93/191794493.db2.gz DJVSMJBXSGTNHL-OAGGEKHMSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417332669 386500833 /nfs/dbraw/zinc/50/08/33/386500833.db2.gz DJVSMJBXSGTNHL-OWCLPIDISA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417332670 191794354 /nfs/dbraw/zinc/79/43/54/191794354.db2.gz DJVSMJBXSGTNHL-PMPSAXMXSA-N 1 0 241.378 3.712 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccsc1 ZINC000417332907 386501080 /nfs/dbraw/zinc/50/10/80/386501080.db2.gz DRELJECPNQMSRH-NEPJUHHUSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccsc1 ZINC000417332908 386502265 /nfs/dbraw/zinc/50/22/65/386502265.db2.gz DRELJECPNQMSRH-NWDGAFQWSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccsc1 ZINC000417332909 386500984 /nfs/dbraw/zinc/50/09/84/386500984.db2.gz DRELJECPNQMSRH-RYUDHWBXSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccsc1 ZINC000417332910 386502247 /nfs/dbraw/zinc/50/22/47/386502247.db2.gz DRELJECPNQMSRH-VXGBXAGGSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(F)c1 ZINC000417332970 386501455 /nfs/dbraw/zinc/50/14/55/386501455.db2.gz FANYWBNGVXKASD-GXTWGEPZSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(F)c1 ZINC000417332971 386501164 /nfs/dbraw/zinc/50/11/64/386501164.db2.gz FANYWBNGVXKASD-JSGCOSHPSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc(F)c1 ZINC000417332972 386502044 /nfs/dbraw/zinc/50/20/44/386502044.db2.gz FANYWBNGVXKASD-OCCSQVGLSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc(F)c1 ZINC000417332973 191794501 /nfs/dbraw/zinc/79/45/01/191794501.db2.gz FANYWBNGVXKASD-TZMCWYRMSA-N 1 0 233.330 3.667 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417333441 191794437 /nfs/dbraw/zinc/79/44/37/191794437.db2.gz PRHWFJBTFKEPFY-FRRDWIJNSA-N 1 0 235.396 3.796 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417333442 191794689 /nfs/dbraw/zinc/79/46/89/191794689.db2.gz PRHWFJBTFKEPFY-RWMBFGLXSA-N 1 0 235.396 3.796 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cc2c(s1)CCC2 ZINC000417333593 191794200 /nfs/dbraw/zinc/79/42/00/191794200.db2.gz GCBCTNQVJJXUNL-CMPLNLGQSA-N 1 0 247.407 3.688 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cc2c(s1)CCC2 ZINC000417333594 191794848 /nfs/dbraw/zinc/79/48/48/191794848.db2.gz GCBCTNQVJJXUNL-JQWIXIFHSA-N 1 0 247.407 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cc2c(s1)CCC2 ZINC000417333595 386504585 /nfs/dbraw/zinc/50/45/85/386504585.db2.gz GCBCTNQVJJXUNL-PWSUYJOCSA-N 1 0 247.407 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cc2c(s1)CCC2 ZINC000417333596 386504710 /nfs/dbraw/zinc/50/47/10/386504710.db2.gz GCBCTNQVJJXUNL-ZYHUDNBSSA-N 1 0 247.407 3.688 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(OC)c1 ZINC000417334306 386504807 /nfs/dbraw/zinc/50/48/07/386504807.db2.gz GUQMBQVNMJHLQV-DZGCQCFKSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc(OC)c1 ZINC000417334307 191794792 /nfs/dbraw/zinc/79/47/92/191794792.db2.gz GUQMBQVNMJHLQV-HIFRSBDPSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc(OC)c1 ZINC000417334308 191794131 /nfs/dbraw/zinc/79/41/31/191794131.db2.gz GUQMBQVNMJHLQV-UKRRQHHQSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(OC)c1 ZINC000417334309 386503333 /nfs/dbraw/zinc/50/33/33/386503333.db2.gz GUQMBQVNMJHLQV-ZFWWWQNUSA-N 1 0 245.366 3.536 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417334889 386504084 /nfs/dbraw/zinc/50/40/84/386504084.db2.gz HPMKQFMNZSJGAC-HRCADAONSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417334890 191794439 /nfs/dbraw/zinc/79/44/39/191794439.db2.gz HPMKQFMNZSJGAC-JYJNAYRXSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417334891 386504153 /nfs/dbraw/zinc/50/41/53/386504153.db2.gz HPMKQFMNZSJGAC-OWCLPIDISA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417334893 191794870 /nfs/dbraw/zinc/79/48/70/191794870.db2.gz HPMKQFMNZSJGAC-PMPSAXMXSA-N 1 0 241.378 3.712 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)[C@@H](C)c1ccccc1 ZINC000417335116 386503084 /nfs/dbraw/zinc/50/30/84/386503084.db2.gz HWKXDKSLRRFPHQ-IPYPFGDCSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417335123 191794764 /nfs/dbraw/zinc/79/47/64/191794764.db2.gz HWKXDKSLRRFPHQ-KCQAQPDRSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)[C@@H](C)c1ccccc1 ZINC000417335124 191794631 /nfs/dbraw/zinc/79/46/31/191794631.db2.gz HWKXDKSLRRFPHQ-VNHYZAJKSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417335125 386503393 /nfs/dbraw/zinc/50/33/93/386503393.db2.gz HWKXDKSLRRFPHQ-YDHLFZDLSA-N 1 0 229.367 3.568 20 0 BHADRO Cc1ccc(C2CC([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417335754 386503869 /nfs/dbraw/zinc/50/38/69/386503869.db2.gz IVJBQOJRFVVKRA-HWOWSKLDSA-N 1 0 241.378 3.631 20 0 BHADRO Cc1ccc(C2CC([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417335756 191794837 /nfs/dbraw/zinc/79/48/37/191794837.db2.gz IVJBQOJRFVVKRA-PCKAHOCUSA-N 1 0 241.378 3.631 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000417337678 191795199 /nfs/dbraw/zinc/79/51/99/191795199.db2.gz LRPPRFSVMGWQJE-CMPLNLGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000417337679 386504303 /nfs/dbraw/zinc/50/43/03/386504303.db2.gz LRPPRFSVMGWQJE-JQWIXIFHSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000417337680 386503938 /nfs/dbraw/zinc/50/39/38/386503938.db2.gz LRPPRFSVMGWQJE-PWSUYJOCSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000417337681 191795347 /nfs/dbraw/zinc/79/53/47/191795347.db2.gz LRPPRFSVMGWQJE-ZYHUDNBSSA-N 1 0 243.341 3.590 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CC1(C)C ZINC000417338084 191795292 /nfs/dbraw/zinc/79/52/92/191795292.db2.gz YBHCNCXPZFIDMX-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CC1(C)C ZINC000417338086 386504010 /nfs/dbraw/zinc/50/40/10/386504010.db2.gz YBHCNCXPZFIDMX-MNOVXSKESA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CC1(C)C ZINC000417338087 386504116 /nfs/dbraw/zinc/50/41/16/386504116.db2.gz YBHCNCXPZFIDMX-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CC1(C)C ZINC000417338088 191795765 /nfs/dbraw/zinc/79/57/65/191795765.db2.gz YBHCNCXPZFIDMX-WDEREUQCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC12CC2 ZINC000417338703 386506263 /nfs/dbraw/zinc/50/62/63/386506263.db2.gz NEOLMYYJHIKJID-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CC12CC2 ZINC000417338714 386506439 /nfs/dbraw/zinc/50/64/39/386506439.db2.gz NEOLMYYJHIKJID-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC12CC2 ZINC000417338715 191795064 /nfs/dbraw/zinc/79/50/64/191795064.db2.gz NEOLMYYJHIKJID-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CC12CC2 ZINC000417338716 386506065 /nfs/dbraw/zinc/50/60/65/386506065.db2.gz NEOLMYYJHIKJID-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417338881 191795027 /nfs/dbraw/zinc/79/50/27/191795027.db2.gz KUASJRPPDJWJQW-KGYLQXTDSA-N 1 0 235.396 3.630 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417338882 386506143 /nfs/dbraw/zinc/50/61/43/386506143.db2.gz KUASJRPPDJWJQW-WCFLWFBJSA-N 1 0 235.396 3.630 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC13CC3)CCC2 ZINC000417338971 386506986 /nfs/dbraw/zinc/50/69/86/386506986.db2.gz NLBGLMIYIMNPHA-DOMZBBRYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC13CC3)CCC2 ZINC000417338972 386507402 /nfs/dbraw/zinc/50/74/02/386507402.db2.gz NLBGLMIYIMNPHA-IUODEOHRSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC13CC3)CCC2 ZINC000417338973 386506702 /nfs/dbraw/zinc/50/67/02/386506702.db2.gz NLBGLMIYIMNPHA-SWLSCSKDSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC13CC3)CCC2 ZINC000417338974 386507394 /nfs/dbraw/zinc/50/73/94/386507394.db2.gz NLBGLMIYIMNPHA-WFASDCNBSA-N 1 0 245.341 3.593 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC12CC2)C(C)(C)C ZINC000417339880 386507257 /nfs/dbraw/zinc/50/72/57/386507257.db2.gz OSIVEZAOKROVDT-NEPJUHHUSA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC12CC2)C(C)(C)C ZINC000417339881 386506640 /nfs/dbraw/zinc/50/66/40/386506640.db2.gz OSIVEZAOKROVDT-NWDGAFQWSA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC12CC2)C(C)(C)C ZINC000417339882 191795739 /nfs/dbraw/zinc/79/57/39/191795739.db2.gz OSIVEZAOKROVDT-RYUDHWBXSA-N 1 0 209.377 3.591 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC12CC2)C(C)(C)C ZINC000417339883 386506927 /nfs/dbraw/zinc/50/69/27/386506927.db2.gz OSIVEZAOKROVDT-VXGBXAGGSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000417340447 191795741 /nfs/dbraw/zinc/79/57/41/191795741.db2.gz PMIGAYUATCDXEA-OEAJRASXSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000417340448 386506449 /nfs/dbraw/zinc/50/64/49/386506449.db2.gz PMIGAYUATCDXEA-OJLVUWQFSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000417340449 191795054 /nfs/dbraw/zinc/79/50/54/191795054.db2.gz PMIGAYUATCDXEA-TUUVXOQKSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000417340450 386507214 /nfs/dbraw/zinc/50/72/14/386507214.db2.gz PMIGAYUATCDXEA-UKMLZYKCSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000417341266 386483205 /nfs/dbraw/zinc/48/32/05/386483205.db2.gz BIGJKFHLRFMZCO-CMPLNLGQSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000417341268 386483872 /nfs/dbraw/zinc/48/38/72/386483872.db2.gz BIGJKFHLRFMZCO-JQWIXIFHSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000417341269 191788592 /nfs/dbraw/zinc/78/85/92/191788592.db2.gz BIGJKFHLRFMZCO-PWSUYJOCSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000417341270 191789233 /nfs/dbraw/zinc/78/92/33/191789233.db2.gz BIGJKFHLRFMZCO-ZYHUDNBSSA-N 1 0 235.758 3.791 20 0 BHADRO Fc1ccc([C@H]([NH2+]C[C@@H]2CC23CC3)C2CC2)cc1 ZINC000417342290 191789511 /nfs/dbraw/zinc/78/95/11/191789511.db2.gz RTGUAQHTMMTAOL-DZGCQCFKSA-N 1 0 245.341 3.667 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C[C@H]2CC23CC3)C2CC2)cc1 ZINC000417342291 386483683 /nfs/dbraw/zinc/48/36/83/386483683.db2.gz RTGUAQHTMMTAOL-HIFRSBDPSA-N 1 0 245.341 3.667 20 0 BHADRO Fc1ccc([C@H]([NH2+]C[C@H]2CC23CC3)C2CC2)cc1 ZINC000417342292 386482935 /nfs/dbraw/zinc/48/29/35/386482935.db2.gz RTGUAQHTMMTAOL-UKRRQHHQSA-N 1 0 245.341 3.667 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C[C@@H]2CC23CC3)C2CC2)cc1 ZINC000417342293 386482409 /nfs/dbraw/zinc/48/24/09/386482409.db2.gz RTGUAQHTMMTAOL-ZFWWWQNUSA-N 1 0 245.341 3.667 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417342699 191789073 /nfs/dbraw/zinc/78/90/73/191789073.db2.gz SLIZWQKLWNITGI-FVCCEPFGSA-N 1 0 247.407 3.630 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417342700 386483758 /nfs/dbraw/zinc/48/37/58/386483758.db2.gz SLIZWQKLWNITGI-MROQNXINSA-N 1 0 247.407 3.630 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417342701 386484801 /nfs/dbraw/zinc/48/48/01/386484801.db2.gz SLIZWQKLWNITGI-QNWHQSFQSA-N 1 0 247.407 3.630 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417342702 386484831 /nfs/dbraw/zinc/48/48/31/386484831.db2.gz SLIZWQKLWNITGI-ZDEQEGDKSA-N 1 0 247.407 3.630 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccccn1 ZINC000417342895 386485170 /nfs/dbraw/zinc/48/51/70/386485170.db2.gz STXKJKJBXFKUOH-DZGCQCFKSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccccn1 ZINC000417342896 386484596 /nfs/dbraw/zinc/48/45/96/386484596.db2.gz STXKJKJBXFKUOH-HIFRSBDPSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccccn1 ZINC000417342897 386484556 /nfs/dbraw/zinc/48/45/56/386484556.db2.gz STXKJKJBXFKUOH-UKRRQHHQSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccccn1 ZINC000417342898 191789486 /nfs/dbraw/zinc/78/94/86/191789486.db2.gz STXKJKJBXFKUOH-ZFWWWQNUSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417343384 386485924 /nfs/dbraw/zinc/48/59/24/386485924.db2.gz QPHPWRXUTKBPCP-KGYLQXTDSA-N 1 0 247.363 3.623 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417343385 386484913 /nfs/dbraw/zinc/48/49/13/386484913.db2.gz QPHPWRXUTKBPCP-WCFLWFBJSA-N 1 0 247.363 3.623 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417343925 191789281 /nfs/dbraw/zinc/78/92/81/191789281.db2.gz VHKRXOMYAIGAAC-NEPJUHHUSA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417343927 386485437 /nfs/dbraw/zinc/48/54/37/386485437.db2.gz VHKRXOMYAIGAAC-NWDGAFQWSA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417343929 386484718 /nfs/dbraw/zinc/48/47/18/386484718.db2.gz VHKRXOMYAIGAAC-RYUDHWBXSA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417343931 191789056 /nfs/dbraw/zinc/78/90/56/191789056.db2.gz VHKRXOMYAIGAAC-VXGBXAGGSA-N 1 0 247.407 3.859 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417344114 386484956 /nfs/dbraw/zinc/48/49/56/386484956.db2.gz RQWDOKUHCCHAFU-GRYCIOLGSA-N 1 0 237.412 3.876 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417344115 191789447 /nfs/dbraw/zinc/78/94/47/191789447.db2.gz RQWDOKUHCCHAFU-SDDRHHMPSA-N 1 0 237.412 3.876 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC13CC3)CC2 ZINC000417344239 386484971 /nfs/dbraw/zinc/48/49/71/386484971.db2.gz VQTCPFLQUFGLSB-BXUZGUMPSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC13CC3)CC2 ZINC000417344240 386485406 /nfs/dbraw/zinc/48/54/06/386485406.db2.gz VQTCPFLQUFGLSB-FZMZJTMJSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC13CC3)CC2 ZINC000417344241 386485208 /nfs/dbraw/zinc/48/52/08/386485208.db2.gz VQTCPFLQUFGLSB-RISCZKNCSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC13CC3)CC2 ZINC000417344242 386484755 /nfs/dbraw/zinc/48/47/55/386484755.db2.gz VQTCPFLQUFGLSB-SMDDNHRTSA-N 1 0 247.769 3.717 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417344613 191788783 /nfs/dbraw/zinc/78/87/83/191788783.db2.gz WGIAJGSBSSVSLN-ARLBYUKCSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C[C@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417344614 191788853 /nfs/dbraw/zinc/78/88/53/191788853.db2.gz WGIAJGSBSSVSLN-DRPJVOAASA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C[C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417344615 386485578 /nfs/dbraw/zinc/48/55/78/386485578.db2.gz WGIAJGSBSSVSLN-LCGIIJARSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417344616 386485312 /nfs/dbraw/zinc/48/53/12/386485312.db2.gz WGIAJGSBSSVSLN-QCEMKRCNSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)c2ccccc21 ZINC000417344622 386485618 /nfs/dbraw/zinc/48/56/18/386485618.db2.gz WIBZAASQKVGBPP-JMSVASOKSA-N 1 0 227.351 3.625 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)c2ccccc21 ZINC000417344624 386485238 /nfs/dbraw/zinc/48/52/38/386485238.db2.gz WIBZAASQKVGBPP-LALPHHSUSA-N 1 0 227.351 3.625 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)c2ccccc21 ZINC000417344625 191789541 /nfs/dbraw/zinc/78/95/41/191789541.db2.gz WIBZAASQKVGBPP-TYNCELHUSA-N 1 0 227.351 3.625 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)c2ccccc21 ZINC000417344628 386485295 /nfs/dbraw/zinc/48/52/95/386485295.db2.gz WIBZAASQKVGBPP-XUJVJEKNSA-N 1 0 227.351 3.625 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C[C@H]2CC23CC3)C1 ZINC000417344854 386485155 /nfs/dbraw/zinc/48/51/55/386485155.db2.gz WQQQAWQRVZPYKA-SHARSMKWSA-N 1 0 241.378 3.631 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417344856 386484686 /nfs/dbraw/zinc/48/46/86/386484686.db2.gz WQQQAWQRVZPYKA-SLTAFYQDSA-N 1 0 241.378 3.631 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000417345186 386485480 /nfs/dbraw/zinc/48/54/80/386485480.db2.gz RIJNNMZLMYCXHE-GVXVVHGQSA-N 1 0 236.359 3.540 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000417345187 386485073 /nfs/dbraw/zinc/48/50/73/386485073.db2.gz RIJNNMZLMYCXHE-LOWVWBTDSA-N 1 0 236.359 3.540 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000417345188 386485460 /nfs/dbraw/zinc/48/54/60/386485460.db2.gz RIJNNMZLMYCXHE-MDZLAQPJSA-N 1 0 236.359 3.540 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000417345189 386485683 /nfs/dbraw/zinc/48/56/83/386485683.db2.gz RIJNNMZLMYCXHE-WZRBSPASSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417345615 386485534 /nfs/dbraw/zinc/48/55/34/386485534.db2.gz YBNJHORTLGNOQG-AAEUAGOBSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417345616 386485393 /nfs/dbraw/zinc/48/53/93/386485393.db2.gz YBNJHORTLGNOQG-DGCLKSJQSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417345617 386485322 /nfs/dbraw/zinc/48/53/22/386485322.db2.gz YBNJHORTLGNOQG-WCQYABFASA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417345618 191790254 /nfs/dbraw/zinc/79/02/54/191790254.db2.gz YBNJHORTLGNOQG-YPMHNXCESA-N 1 0 249.785 3.661 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC23CC3)cs1 ZINC000417345834 386486902 /nfs/dbraw/zinc/48/69/02/386486902.db2.gz YEPAAEQXUSUUOA-CMPLNLGQSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cs1 ZINC000417345835 386487193 /nfs/dbraw/zinc/48/71/93/386487193.db2.gz YEPAAEQXUSUUOA-JQWIXIFHSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cs1 ZINC000417345836 386487659 /nfs/dbraw/zinc/48/76/59/386487659.db2.gz YEPAAEQXUSUUOA-PWSUYJOCSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cs1 ZINC000417345837 386488749 /nfs/dbraw/zinc/48/87/49/386488749.db2.gz YEPAAEQXUSUUOA-ZYHUDNBSSA-N 1 0 221.369 3.507 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccsc1 ZINC000417346082 191789715 /nfs/dbraw/zinc/78/97/15/191789715.db2.gz YSRIJBWQPMLHDW-CHWSQXEVSA-N 1 0 235.396 3.979 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccsc1 ZINC000417346083 191790366 /nfs/dbraw/zinc/79/03/66/191790366.db2.gz YSRIJBWQPMLHDW-OLZOCXBDSA-N 1 0 235.396 3.979 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccsc1 ZINC000417346084 386487617 /nfs/dbraw/zinc/48/76/17/386487617.db2.gz YSRIJBWQPMLHDW-QWHCGFSZSA-N 1 0 235.396 3.979 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccsc1 ZINC000417346085 386487698 /nfs/dbraw/zinc/48/76/98/386487698.db2.gz YSRIJBWQPMLHDW-STQMWFEESA-N 1 0 235.396 3.979 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1F ZINC000417346376 191789980 /nfs/dbraw/zinc/78/99/80/191789980.db2.gz ZESXDMJKJLFRRB-BXUZGUMPSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1F ZINC000417346377 191789675 /nfs/dbraw/zinc/78/96/75/191789675.db2.gz ZESXDMJKJLFRRB-FZMZJTMJSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1F ZINC000417346378 191789847 /nfs/dbraw/zinc/78/98/47/191789847.db2.gz ZESXDMJKJLFRRB-RISCZKNCSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1F ZINC000417346379 386486881 /nfs/dbraw/zinc/48/68/81/386486881.db2.gz ZESXDMJKJLFRRB-SMDDNHRTSA-N 1 0 233.330 3.667 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@@H]2CC23CC3)C2CCC2)o1 ZINC000417346803 386487403 /nfs/dbraw/zinc/48/74/03/386487403.db2.gz ZTUFHVYXHIDKOH-DZGCQCFKSA-N 1 0 245.366 3.819 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C[C@H]2CC23CC3)C2CCC2)o1 ZINC000417346804 386487687 /nfs/dbraw/zinc/48/76/87/386487687.db2.gz ZTUFHVYXHIDKOH-HIFRSBDPSA-N 1 0 245.366 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@H]2CC23CC3)C2CCC2)o1 ZINC000417346805 191790389 /nfs/dbraw/zinc/79/03/89/191790389.db2.gz ZTUFHVYXHIDKOH-UKRRQHHQSA-N 1 0 245.366 3.819 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C[C@@H]2CC23CC3)C2CCC2)o1 ZINC000417346806 191789967 /nfs/dbraw/zinc/78/99/67/191789967.db2.gz ZTUFHVYXHIDKOH-ZFWWWQNUSA-N 1 0 245.366 3.819 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H]1C[C@H]1c1cccs1 ZINC000417346928 386487528 /nfs/dbraw/zinc/48/75/28/386487528.db2.gz GGLMVSUMQPSHJX-GRYCIOLGSA-N 1 0 241.375 3.579 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1C[C@H]1c1cccs1 ZINC000417346929 386488398 /nfs/dbraw/zinc/48/83/98/386488398.db2.gz GGLMVSUMQPSHJX-SDDRHHMPSA-N 1 0 241.375 3.579 20 0 BHADRO CCC1([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417350268 191790479 /nfs/dbraw/zinc/79/04/79/191790479.db2.gz PCMUWSQTFXORLX-GRYCIOLGSA-N 1 0 235.396 3.772 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417350269 191790264 /nfs/dbraw/zinc/79/02/64/191790264.db2.gz PCMUWSQTFXORLX-SDDRHHMPSA-N 1 0 235.396 3.772 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351153 386489534 /nfs/dbraw/zinc/48/95/34/386489534.db2.gz RCXMZPYLLJZQKG-PEBLQZBPSA-N 1 0 249.423 3.876 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351154 191791608 /nfs/dbraw/zinc/79/16/08/191791608.db2.gz RCXMZPYLLJZQKG-ZUWCUPBKSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351856 386489572 /nfs/dbraw/zinc/48/95/72/386489572.db2.gz SSQTWGSPTWUEHD-FIQHERPVSA-N 1 0 241.375 3.578 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351857 386491635 /nfs/dbraw/zinc/49/16/35/386491635.db2.gz SSQTWGSPTWUEHD-NOOOWODRSA-N 1 0 241.375 3.578 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1C[C@H]1c1cccs1 ZINC000417351858 386489649 /nfs/dbraw/zinc/48/96/49/386489649.db2.gz SSQTWGSPTWUEHD-WHOHXGKFSA-N 1 0 241.375 3.578 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351862 386491428 /nfs/dbraw/zinc/49/14/28/386491428.db2.gz SSQTWGSPTWUEHD-WISYIIOYSA-N 1 0 241.375 3.578 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417353234 191791733 /nfs/dbraw/zinc/79/17/33/191791733.db2.gz IHNCWAYJEIYTOQ-LLVKDONJSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417353235 386490935 /nfs/dbraw/zinc/49/09/35/386490935.db2.gz IHNCWAYJEIYTOQ-NSHDSACASA-N 1 0 203.329 3.623 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353639 386491350 /nfs/dbraw/zinc/49/13/50/386491350.db2.gz XSKBPMZKZPBEFE-MFAXVDPOSA-N 1 0 235.396 3.796 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353640 386491472 /nfs/dbraw/zinc/49/14/72/386491472.db2.gz XSKBPMZKZPBEFE-OZFUOUKKSA-N 1 0 235.396 3.796 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353641 386490776 /nfs/dbraw/zinc/49/07/76/386490776.db2.gz XSKBPMZKZPBEFE-RTNDAXFPSA-N 1 0 235.396 3.796 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353642 386490942 /nfs/dbraw/zinc/49/09/42/386490942.db2.gz XSKBPMZKZPBEFE-ZQDIZJQTSA-N 1 0 235.396 3.796 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417354768 386494033 /nfs/dbraw/zinc/49/40/33/386494033.db2.gz CRAAEXGDQYDFCO-GHMZBOCLSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417354776 386493988 /nfs/dbraw/zinc/49/39/88/386493988.db2.gz CRAAEXGDQYDFCO-MNOVXSKESA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417354779 386493229 /nfs/dbraw/zinc/49/32/29/386493229.db2.gz CRAAEXGDQYDFCO-QWRGUYRKSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417354786 386492700 /nfs/dbraw/zinc/49/27/00/386492700.db2.gz CRAAEXGDQYDFCO-WDEREUQCSA-N 1 0 221.369 3.507 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1Cl ZINC000417356283 191792224 /nfs/dbraw/zinc/79/22/24/191792224.db2.gz FGTPVBJQIOXNRC-GHMZBOCLSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1Cl ZINC000417356284 386494319 /nfs/dbraw/zinc/49/43/19/386494319.db2.gz FGTPVBJQIOXNRC-MNOVXSKESA-N 1 0 235.758 3.791 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1Cl ZINC000417356285 191792366 /nfs/dbraw/zinc/79/23/66/191792366.db2.gz FGTPVBJQIOXNRC-QWRGUYRKSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1Cl ZINC000417356286 386493160 /nfs/dbraw/zinc/49/31/60/386493160.db2.gz FGTPVBJQIOXNRC-WDEREUQCSA-N 1 0 235.758 3.791 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417357214 386494151 /nfs/dbraw/zinc/49/41/51/386494151.db2.gz GIPFJWLJEDJANI-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417357215 386493743 /nfs/dbraw/zinc/49/37/43/386493743.db2.gz GIPFJWLJEDJANI-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417357287 191792607 /nfs/dbraw/zinc/79/26/07/191792607.db2.gz RBZXODBXIDECQU-CHWSQXEVSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417357288 386494069 /nfs/dbraw/zinc/49/40/69/386494069.db2.gz RBZXODBXIDECQU-OLZOCXBDSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417357289 386493537 /nfs/dbraw/zinc/49/35/37/386493537.db2.gz RBZXODBXIDECQU-QWHCGFSZSA-N 1 0 247.382 3.640 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417357290 386493238 /nfs/dbraw/zinc/49/32/38/386493238.db2.gz RBZXODBXIDECQU-STQMWFEESA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417357382 386494011 /nfs/dbraw/zinc/49/40/11/386494011.db2.gz GIPFJWLJEDJANI-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417357384 191792375 /nfs/dbraw/zinc/79/23/75/191792375.db2.gz GIPFJWLJEDJANI-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC12CC2 ZINC000417357608 191792794 /nfs/dbraw/zinc/79/27/94/191792794.db2.gz GQRCKJAPGLPIJO-GXTWGEPZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417357609 386493426 /nfs/dbraw/zinc/49/34/26/386493426.db2.gz GQRCKJAPGLPIJO-JSGCOSHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417357610 191792813 /nfs/dbraw/zinc/79/28/13/191792813.db2.gz GQRCKJAPGLPIJO-OCCSQVGLSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC12CC2 ZINC000417357611 386492724 /nfs/dbraw/zinc/49/27/24/386492724.db2.gz GQRCKJAPGLPIJO-TZMCWYRMSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C2CC2)cc1 ZINC000417358169 191792299 /nfs/dbraw/zinc/79/22/99/191792299.db2.gz SPKHOPMOPBFCGS-ABAIWWIYSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C2CC2)cc1 ZINC000417358170 386496113 /nfs/dbraw/zinc/49/61/13/386496113.db2.gz SPKHOPMOPBFCGS-IAQYHMDHSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(C2CC2)cc1 ZINC000417358171 386496241 /nfs/dbraw/zinc/49/62/41/386496241.db2.gz SPKHOPMOPBFCGS-NHYWBVRUSA-N 1 0 247.407 3.720 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C2CC2)cc1 ZINC000417358172 386496262 /nfs/dbraw/zinc/49/62/62/386496262.db2.gz SPKHOPMOPBFCGS-XHDPSFHLSA-N 1 0 247.407 3.720 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417358582 386496686 /nfs/dbraw/zinc/49/66/86/386496686.db2.gz UKUFSERKOHRAQV-FRRDWIJNSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417358583 386495402 /nfs/dbraw/zinc/49/54/02/386495402.db2.gz UKUFSERKOHRAQV-JHJVBQTASA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417358584 386497120 /nfs/dbraw/zinc/49/71/20/386497120.db2.gz UKUFSERKOHRAQV-RWMBFGLXSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417358585 386496408 /nfs/dbraw/zinc/49/64/08/386496408.db2.gz UKUFSERKOHRAQV-YNEHKIRRSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417359211 386510679 /nfs/dbraw/zinc/51/06/79/386510679.db2.gz VIONMOAQRPXJBA-BLLLJJGKSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417359213 386509614 /nfs/dbraw/zinc/50/96/14/386509614.db2.gz VIONMOAQRPXJBA-LRDDRELGSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417359215 386510289 /nfs/dbraw/zinc/51/02/89/386510289.db2.gz VIONMOAQRPXJBA-MLGOLLRUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417359216 386510107 /nfs/dbraw/zinc/51/01/07/386510107.db2.gz VIONMOAQRPXJBA-WBMJQRKESA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417359309 386507317 /nfs/dbraw/zinc/50/73/17/386507317.db2.gz VLMIJIVGTAOATA-CHWSQXEVSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417359311 386507586 /nfs/dbraw/zinc/50/75/86/386507586.db2.gz VLMIJIVGTAOATA-OLZOCXBDSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000417359312 386506137 /nfs/dbraw/zinc/50/61/37/386506137.db2.gz VLMIJIVGTAOATA-QWHCGFSZSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000417359315 386505914 /nfs/dbraw/zinc/50/59/14/386505914.db2.gz VLMIJIVGTAOATA-STQMWFEESA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1OC ZINC000417360893 386561109 /nfs/dbraw/zinc/56/11/09/386561109.db2.gz KEVFMKHQXGKHBK-GXTWGEPZSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1OC ZINC000417360896 386562268 /nfs/dbraw/zinc/56/22/68/386562268.db2.gz KEVFMKHQXGKHBK-JSGCOSHPSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1OC ZINC000417360897 386562821 /nfs/dbraw/zinc/56/28/21/386562821.db2.gz KEVFMKHQXGKHBK-OCCSQVGLSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1OC ZINC000417360898 191798439 /nfs/dbraw/zinc/79/84/39/191798439.db2.gz KEVFMKHQXGKHBK-TZMCWYRMSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccs1 ZINC000417361290 386566404 /nfs/dbraw/zinc/56/64/04/386566404.db2.gz KOIKZFZFIWWFFX-GHMZBOCLSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1cccs1 ZINC000417361291 191799408 /nfs/dbraw/zinc/79/94/08/191799408.db2.gz KOIKZFZFIWWFFX-MNOVXSKESA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccs1 ZINC000417361293 386566186 /nfs/dbraw/zinc/56/61/86/386566186.db2.gz KOIKZFZFIWWFFX-QWRGUYRKSA-N 1 0 221.369 3.589 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccs1 ZINC000417361294 386566069 /nfs/dbraw/zinc/56/60/69/386566069.db2.gz KOIKZFZFIWWFFX-WDEREUQCSA-N 1 0 221.369 3.589 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417361398 386568265 /nfs/dbraw/zinc/56/82/65/386568265.db2.gz KTGADZAVLOORMF-AAEUAGOBSA-N 1 0 245.391 3.613 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417361405 386567285 /nfs/dbraw/zinc/56/72/85/386567285.db2.gz KTGADZAVLOORMF-DGCLKSJQSA-N 1 0 245.391 3.613 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417361407 386568505 /nfs/dbraw/zinc/56/85/05/386568505.db2.gz KTGADZAVLOORMF-WCQYABFASA-N 1 0 245.391 3.613 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417361408 386568789 /nfs/dbraw/zinc/56/87/89/386568789.db2.gz KTGADZAVLOORMF-YPMHNXCESA-N 1 0 245.391 3.613 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000417362122 386561439 /nfs/dbraw/zinc/56/14/39/386561439.db2.gz KWFHCYTZMWTGNI-KBPBESRZSA-N 1 0 215.340 3.527 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000417362124 386561495 /nfs/dbraw/zinc/56/14/95/386561495.db2.gz KWFHCYTZMWTGNI-KGLIPLIRSA-N 1 0 215.340 3.527 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000417362128 386563073 /nfs/dbraw/zinc/56/30/73/386563073.db2.gz KWFHCYTZMWTGNI-UONOGXRCSA-N 1 0 215.340 3.527 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000417362131 191800217 /nfs/dbraw/zinc/80/02/17/191800217.db2.gz KWFHCYTZMWTGNI-ZIAGYGMSSA-N 1 0 215.340 3.527 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417364310 386579995 /nfs/dbraw/zinc/57/99/95/386579995.db2.gz MRESNYNTPGLKEW-CHWSQXEVSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417364312 386580489 /nfs/dbraw/zinc/58/04/89/386580489.db2.gz MRESNYNTPGLKEW-OLZOCXBDSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417364313 386581228 /nfs/dbraw/zinc/58/12/28/386581228.db2.gz MRESNYNTPGLKEW-QWHCGFSZSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417364315 386582025 /nfs/dbraw/zinc/58/20/25/386582025.db2.gz MRESNYNTPGLKEW-STQMWFEESA-N 1 0 245.366 3.536 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417365600 386591249 /nfs/dbraw/zinc/59/12/49/386591249.db2.gz NWMOZYCHBUOEIL-BXUZGUMPSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417365601 386591413 /nfs/dbraw/zinc/59/14/13/386591413.db2.gz NWMOZYCHBUOEIL-FZMZJTMJSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417365602 191802125 /nfs/dbraw/zinc/80/21/25/191802125.db2.gz NWMOZYCHBUOEIL-RISCZKNCSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417365603 386590425 /nfs/dbraw/zinc/59/04/25/386590425.db2.gz NWMOZYCHBUOEIL-SMDDNHRTSA-N 1 0 247.769 3.717 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417365976 386608106 /nfs/dbraw/zinc/60/81/06/386608106.db2.gz OIBPIMQALYZQPG-GXTWGEPZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417365977 386608095 /nfs/dbraw/zinc/60/80/95/386608095.db2.gz OIBPIMQALYZQPG-JSGCOSHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417365978 191804526 /nfs/dbraw/zinc/80/45/26/191804526.db2.gz OIBPIMQALYZQPG-OCCSQVGLSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417365979 191804463 /nfs/dbraw/zinc/80/44/63/191804463.db2.gz OIBPIMQALYZQPG-TZMCWYRMSA-N 1 0 247.357 3.537 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(OC)cc1 ZINC000417367118 191804362 /nfs/dbraw/zinc/80/43/62/191804362.db2.gz PODIHOYKNNNUJS-DZGCQCFKSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(OC)cc1 ZINC000417367119 386623645 /nfs/dbraw/zinc/62/36/45/386623645.db2.gz PODIHOYKNNNUJS-HIFRSBDPSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(OC)cc1 ZINC000417367120 386624036 /nfs/dbraw/zinc/62/40/36/386624036.db2.gz PODIHOYKNNNUJS-UKRRQHHQSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(OC)cc1 ZINC000417367121 386624055 /nfs/dbraw/zinc/62/40/55/386624055.db2.gz PODIHOYKNNNUJS-ZFWWWQNUSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(F)cc1 ZINC000417367642 191805562 /nfs/dbraw/zinc/80/55/62/191805562.db2.gz QBRFQLRQJSVSOR-GXTWGEPZSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(F)cc1 ZINC000417367643 386635965 /nfs/dbraw/zinc/63/59/65/386635965.db2.gz QBRFQLRQJSVSOR-JSGCOSHPSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(F)cc1 ZINC000417367644 386635602 /nfs/dbraw/zinc/63/56/02/386635602.db2.gz QBRFQLRQJSVSOR-OCCSQVGLSA-N 1 0 233.330 3.667 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(F)cc1 ZINC000417367645 386634436 /nfs/dbraw/zinc/63/44/36/386634436.db2.gz QBRFQLRQJSVSOR-TZMCWYRMSA-N 1 0 233.330 3.667 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000417368034 386630477 /nfs/dbraw/zinc/63/04/77/386630477.db2.gz QHYVPEMIUHZWTD-CMPLNLGQSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000417368039 386629095 /nfs/dbraw/zinc/62/90/95/386629095.db2.gz QHYVPEMIUHZWTD-JQWIXIFHSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000417368042 386629907 /nfs/dbraw/zinc/62/99/07/386629907.db2.gz QHYVPEMIUHZWTD-PWSUYJOCSA-N 1 0 235.758 3.791 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000417368043 386628715 /nfs/dbraw/zinc/62/87/15/386628715.db2.gz QHYVPEMIUHZWTD-ZYHUDNBSSA-N 1 0 235.758 3.791 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)s1 ZINC000417368510 191804669 /nfs/dbraw/zinc/80/46/69/191804669.db2.gz RDDIWOBNPIVPFP-GHMZBOCLSA-N 1 0 235.396 3.761 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)s1 ZINC000417368511 191804717 /nfs/dbraw/zinc/80/47/17/191804717.db2.gz RDDIWOBNPIVPFP-MNOVXSKESA-N 1 0 235.396 3.761 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)s1 ZINC000417368513 386643984 /nfs/dbraw/zinc/64/39/84/386643984.db2.gz RDDIWOBNPIVPFP-QWRGUYRKSA-N 1 0 235.396 3.761 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)s1 ZINC000417368514 386643604 /nfs/dbraw/zinc/64/36/04/386643604.db2.gz RDDIWOBNPIVPFP-WDEREUQCSA-N 1 0 235.396 3.761 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000417368935 386642760 /nfs/dbraw/zinc/64/27/60/386642760.db2.gz RNWUKBPOGBPESG-AAEUAGOBSA-N 1 0 241.334 3.884 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000417368936 386644033 /nfs/dbraw/zinc/64/40/33/386644033.db2.gz RNWUKBPOGBPESG-DGCLKSJQSA-N 1 0 241.334 3.884 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000417368937 191804709 /nfs/dbraw/zinc/80/47/09/191804709.db2.gz RNWUKBPOGBPESG-WCQYABFASA-N 1 0 241.334 3.884 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000417368940 191805370 /nfs/dbraw/zinc/80/53/70/191805370.db2.gz RNWUKBPOGBPESG-YPMHNXCESA-N 1 0 241.334 3.884 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417369450 386644177 /nfs/dbraw/zinc/64/41/77/386644177.db2.gz SCUDESQZAIYWES-CMPLNLGQSA-N 1 0 233.380 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000417369464 386643922 /nfs/dbraw/zinc/64/39/22/386643922.db2.gz SCUDESQZAIYWES-JQWIXIFHSA-N 1 0 233.380 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417369466 386644183 /nfs/dbraw/zinc/64/41/83/386644183.db2.gz SCUDESQZAIYWES-PWSUYJOCSA-N 1 0 233.380 3.515 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000417369468 191805457 /nfs/dbraw/zinc/80/54/57/191805457.db2.gz SCUDESQZAIYWES-ZYHUDNBSSA-N 1 0 233.380 3.515 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC23CC3)c(C)s1 ZINC000417371089 191804734 /nfs/dbraw/zinc/80/47/34/191804734.db2.gz UWQDUEOAONBYTM-CMPLNLGQSA-N 1 0 235.396 3.816 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC23CC3)c(C)s1 ZINC000417371090 386644618 /nfs/dbraw/zinc/64/46/18/386644618.db2.gz UWQDUEOAONBYTM-JQWIXIFHSA-N 1 0 235.396 3.816 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)c(C)s1 ZINC000417371091 386644153 /nfs/dbraw/zinc/64/41/53/386644153.db2.gz UWQDUEOAONBYTM-PWSUYJOCSA-N 1 0 235.396 3.816 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC23CC3)c(C)s1 ZINC000417371092 386644236 /nfs/dbraw/zinc/64/42/36/386644236.db2.gz UWQDUEOAONBYTM-ZYHUDNBSSA-N 1 0 235.396 3.816 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)s1 ZINC000417372461 386644493 /nfs/dbraw/zinc/64/44/93/386644493.db2.gz XEDLCNSZTUUCTK-GHMZBOCLSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)s1 ZINC000417372462 386645558 /nfs/dbraw/zinc/64/55/58/386645558.db2.gz XEDLCNSZTUUCTK-MNOVXSKESA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)s1 ZINC000417372463 191806970 /nfs/dbraw/zinc/80/69/70/191806970.db2.gz XEDLCNSZTUUCTK-QWRGUYRKSA-N 1 0 221.369 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)s1 ZINC000417372464 386645917 /nfs/dbraw/zinc/64/59/17/386645917.db2.gz XEDLCNSZTUUCTK-WDEREUQCSA-N 1 0 221.369 3.507 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417372599 191806058 /nfs/dbraw/zinc/80/60/58/191806058.db2.gz XHWWYHZCMMNLHV-GXTWGEPZSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417372600 191806271 /nfs/dbraw/zinc/80/62/71/191806271.db2.gz XHWWYHZCMMNLHV-JSGCOSHPSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417372601 386646235 /nfs/dbraw/zinc/64/62/35/386646235.db2.gz XHWWYHZCMMNLHV-OCCSQVGLSA-N 1 0 245.366 3.536 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417372602 191806184 /nfs/dbraw/zinc/80/61/84/191806184.db2.gz XHWWYHZCMMNLHV-TZMCWYRMSA-N 1 0 245.366 3.536 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417373873 386646391 /nfs/dbraw/zinc/64/63/91/386646391.db2.gz YLYSJUYZYRQHHT-AAEUAGOBSA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417373874 386646901 /nfs/dbraw/zinc/64/69/01/386646901.db2.gz YLYSJUYZYRQHHT-DGCLKSJQSA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417373875 386646014 /nfs/dbraw/zinc/64/60/14/386646014.db2.gz YLYSJUYZYRQHHT-WCQYABFASA-N 1 0 247.407 3.859 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417373876 386646770 /nfs/dbraw/zinc/64/67/70/386646770.db2.gz YLYSJUYZYRQHHT-YPMHNXCESA-N 1 0 247.407 3.859 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000417374766 386647411 /nfs/dbraw/zinc/64/74/11/386647411.db2.gz ZKMYUSKWVXBPEP-BDAKNGLRSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000417374767 386645525 /nfs/dbraw/zinc/64/55/25/386645525.db2.gz ZKMYUSKWVXBPEP-DTWKUNHWSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000417374768 191806577 /nfs/dbraw/zinc/80/65/77/191806577.db2.gz ZKMYUSKWVXBPEP-IUCAKERBSA-N 1 0 241.787 3.852 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000417374769 386646366 /nfs/dbraw/zinc/64/63/66/386646366.db2.gz ZKMYUSKWVXBPEP-RKDXNWHRSA-N 1 0 241.787 3.852 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)[C@@H]1CC1(C)C ZINC000417398887 387017000 /nfs/dbraw/zinc/01/70/00/387017000.db2.gz IGLWDLMGBAXNIR-IHRRRGAJSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)[C@H]1CC1(C)C ZINC000417398888 387017208 /nfs/dbraw/zinc/01/72/08/387017208.db2.gz IGLWDLMGBAXNIR-MCIONIFRSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)[C@H]1CC1(C)C ZINC000417398889 191827256 /nfs/dbraw/zinc/82/72/56/191827256.db2.gz IGLWDLMGBAXNIR-MJBXVCDLSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)[C@@H]1CC1(C)C ZINC000417398890 387016384 /nfs/dbraw/zinc/01/63/84/387016384.db2.gz IGLWDLMGBAXNIR-RDBSUJKOSA-N 1 0 246.398 3.865 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1COCc2ccccc21 ZINC000417399983 387020378 /nfs/dbraw/zinc/02/03/78/387020378.db2.gz JATYTMCORWPMKW-GDBMZVCRSA-N 1 0 247.382 3.816 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1COCc2ccccc21 ZINC000417399984 387020776 /nfs/dbraw/zinc/02/07/76/387020776.db2.gz JATYTMCORWPMKW-GOEBONIOSA-N 1 0 247.382 3.816 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1COCc2ccccc21 ZINC000417399985 387020749 /nfs/dbraw/zinc/02/07/49/387020749.db2.gz JATYTMCORWPMKW-HOCLYGCPSA-N 1 0 247.382 3.816 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1COCc2ccccc21 ZINC000417399986 191827584 /nfs/dbraw/zinc/82/75/84/191827584.db2.gz JATYTMCORWPMKW-ZBFHGGJFSA-N 1 0 247.382 3.816 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@H]1CC1(C)C ZINC000417402520 387028151 /nfs/dbraw/zinc/02/81/51/387028151.db2.gz MOHGUMOVZPGDEG-CFVMTHIKSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@@H]1CC1(C)C ZINC000417402526 191830042 /nfs/dbraw/zinc/83/00/42/191830042.db2.gz MOHGUMOVZPGDEG-QEJZJMRPSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncc(C)c1)[C@@H]1CC1(C)C ZINC000417402528 387027962 /nfs/dbraw/zinc/02/79/62/387027962.db2.gz MOHGUMOVZPGDEG-SNPRPXQTSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncc(C)c1)[C@H]1CC1(C)C ZINC000417402529 387028036 /nfs/dbraw/zinc/02/80/36/387028036.db2.gz MOHGUMOVZPGDEG-YUELXQCFSA-N 1 0 246.398 3.865 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1COCc2ccccc21 ZINC000417402628 527999976 /nfs/dbraw/zinc/99/99/76/527999976.db2.gz MWSRGTIXNQZHBG-INIZCTEOSA-N 1 0 247.382 3.816 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1COCc2ccccc21 ZINC000417402629 528000529 /nfs/dbraw/zinc/00/05/29/528000529.db2.gz MWSRGTIXNQZHBG-MRXNPFEDSA-N 1 0 247.382 3.816 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncs1)[C@H]1CC1(C)C ZINC000417411010 387046280 /nfs/dbraw/zinc/04/62/80/387046280.db2.gz WFGWRKBLRHTFSI-AXFHLTTASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncs1)[C@@H]1CC1(C)C ZINC000417411011 387045901 /nfs/dbraw/zinc/04/59/01/387045901.db2.gz WFGWRKBLRHTFSI-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncs1)[C@H]1CC1(C)C ZINC000417411012 529667600 /nfs/dbraw/zinc/66/76/00/529667600.db2.gz WFGWRKBLRHTFSI-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncs1)[C@@H]1CC1(C)C ZINC000417411013 387046865 /nfs/dbraw/zinc/04/68/65/387046865.db2.gz WFGWRKBLRHTFSI-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO CC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000417840382 191934485 /nfs/dbraw/zinc/93/44/85/191934485.db2.gz MCRCAMBXDMKOFL-GJZGRUSLSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000417841187 386800556 /nfs/dbraw/zinc/80/05/56/386800556.db2.gz PAXJGEVYEAYLDW-HRCADAONSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000417841198 386800495 /nfs/dbraw/zinc/80/04/95/386800495.db2.gz PAXJGEVYEAYLDW-JYJNAYRXSA-N 1 0 229.367 3.520 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1C ZINC000417927477 386486134 /nfs/dbraw/zinc/48/61/34/386486134.db2.gz FUZFOTBMNSJMEE-KBPBESRZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1C ZINC000417927478 386486238 /nfs/dbraw/zinc/48/62/38/386486238.db2.gz FUZFOTBMNSJMEE-KGLIPLIRSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1C ZINC000417927479 386486053 /nfs/dbraw/zinc/48/60/53/386486053.db2.gz FUZFOTBMNSJMEE-UONOGXRCSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1C ZINC000417927480 386485854 /nfs/dbraw/zinc/48/58/54/386485854.db2.gz FUZFOTBMNSJMEE-ZIAGYGMSSA-N 1 0 247.382 3.522 20 0 BHADRO CCC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000417941966 219939187 /nfs/dbraw/zinc/93/91/87/219939187.db2.gz NRHJHCFJGGPWPE-GJZGRUSLSA-N 1 0 229.367 3.712 20 0 BHADRO CC[C@@H](CSC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417960788 387000835 /nfs/dbraw/zinc/00/08/35/387000835.db2.gz IGJHVQNBIHLHQC-KKUMJFAQSA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417960790 387001823 /nfs/dbraw/zinc/00/18/23/387001823.db2.gz IGJHVQNBIHLHQC-ZNMIVQPWSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000417992713 386802200 /nfs/dbraw/zinc/80/22/00/386802200.db2.gz PGXHQMFNLGGMQJ-KBPBESRZSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000417992714 386803112 /nfs/dbraw/zinc/80/31/12/386803112.db2.gz PGXHQMFNLGGMQJ-KGLIPLIRSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000417992715 386803106 /nfs/dbraw/zinc/80/31/06/386803106.db2.gz PGXHQMFNLGGMQJ-UONOGXRCSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000417992716 386801424 /nfs/dbraw/zinc/80/14/24/386801424.db2.gz PGXHQMFNLGGMQJ-ZIAGYGMSSA-N 1 0 247.382 3.522 20 0 BHADRO CC(C)=CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418021886 191954616 /nfs/dbraw/zinc/95/46/16/191954616.db2.gz AFWLNQZADSIYQQ-HOTGVXAUSA-N 1 0 229.367 3.736 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000418029224 537861819 /nfs/dbraw/zinc/86/18/19/537861819.db2.gz JCPMDJVJXNTWAB-HRCADAONSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000418029230 191955606 /nfs/dbraw/zinc/95/56/06/191955606.db2.gz JCPMDJVJXNTWAB-JYJNAYRXSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH+]2CC(C3CCC3)C2)cc1 ZINC000418042075 387073858 /nfs/dbraw/zinc/07/38/58/387073858.db2.gz AXVIPANVUJDZLD-RDJZCZTQSA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH+]2CC3(C2)CCCC3)cc1 ZINC000418062149 191960901 /nfs/dbraw/zinc/96/09/01/191960901.db2.gz FGTUQGZHGHLWLS-CVEARBPZSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH+]2CC3(C2)CCCC3)cc1 ZINC000418062152 387080778 /nfs/dbraw/zinc/08/07/78/387080778.db2.gz FGTUQGZHGHLWLS-HOTGVXAUSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH+]2CC3(C2)CCCC3)cc1 ZINC000418062154 387081365 /nfs/dbraw/zinc/08/13/65/387081365.db2.gz FGTUQGZHGHLWLS-HZPDHXFCSA-N 1 0 241.378 3.666 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH+]2CC3(C2)CCCC3)cc1 ZINC000418062156 387081118 /nfs/dbraw/zinc/08/11/18/387081118.db2.gz FGTUQGZHGHLWLS-JKSUJKDBSA-N 1 0 241.378 3.666 20 0 BHADRO C[C@]1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC=CCC1 ZINC000418087607 191965470 /nfs/dbraw/zinc/96/54/70/191965470.db2.gz HSJUMXYMCPIGQV-BBWFWOEESA-N 1 0 241.378 3.879 20 0 BHADRO C[C@]1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC=CCC1 ZINC000418087609 191964914 /nfs/dbraw/zinc/96/49/14/191964914.db2.gz HSJUMXYMCPIGQV-IKGGRYGDSA-N 1 0 241.378 3.879 20 0 BHADRO C[C@]1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC=CCC1 ZINC000418087610 387094274 /nfs/dbraw/zinc/09/42/74/387094274.db2.gz HSJUMXYMCPIGQV-ULQDDVLXSA-N 1 0 241.378 3.879 20 0 BHADRO C[C@@]1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC=CCC1 ZINC000418087612 387094826 /nfs/dbraw/zinc/09/48/26/387094826.db2.gz HSJUMXYMCPIGQV-YESZJQIVSA-N 1 0 241.378 3.879 20 0 BHADRO C[C@]1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC=CCC1 ZINC000418087613 387094774 /nfs/dbraw/zinc/09/47/74/387094774.db2.gz HSJUMXYMCPIGQV-ZACQAIPSSA-N 1 0 241.378 3.879 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000418089941 387096469 /nfs/dbraw/zinc/09/64/69/387096469.db2.gz NCBOTIGPRHYTQV-JSRQGNBESA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000418089942 387096145 /nfs/dbraw/zinc/09/61/45/387096145.db2.gz NCBOTIGPRHYTQV-NRKLIOEPSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000418089943 387095931 /nfs/dbraw/zinc/09/59/31/387095931.db2.gz NCBOTIGPRHYTQV-UHDSXZAQSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000418089944 387095751 /nfs/dbraw/zinc/09/57/51/387095751.db2.gz NCBOTIGPRHYTQV-XAJHFOFHSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H](CC[NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000418092319 387097990 /nfs/dbraw/zinc/09/79/90/387097990.db2.gz HTLXZBYJIPRRIW-DZGCQCFKSA-N 1 0 229.367 3.570 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000418092320 387098938 /nfs/dbraw/zinc/09/89/38/387098938.db2.gz HTLXZBYJIPRRIW-HIFRSBDPSA-N 1 0 229.367 3.570 20 0 BHADRO C[C@H](CC[NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000418092321 387098079 /nfs/dbraw/zinc/09/80/79/387098079.db2.gz HTLXZBYJIPRRIW-UKRRQHHQSA-N 1 0 229.367 3.570 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000418092322 387098510 /nfs/dbraw/zinc/09/85/10/387098510.db2.gz HTLXZBYJIPRRIW-ZFWWWQNUSA-N 1 0 229.367 3.570 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CC12CC2 ZINC000418093370 387100117 /nfs/dbraw/zinc/10/01/17/387100117.db2.gz JEGYZENEEDZWPW-GFCCVEGCSA-N 1 0 235.758 3.538 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418093373 191967333 /nfs/dbraw/zinc/96/73/33/191967333.db2.gz JEGYZENEEDZWPW-LBPRGKRZSA-N 1 0 235.758 3.538 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC12CC2 ZINC000418094301 387100366 /nfs/dbraw/zinc/10/03/66/387100366.db2.gz KCDJRNNZMFOKHW-HNNXBMFYSA-N 1 0 237.346 3.730 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC12CC2 ZINC000418094311 387100123 /nfs/dbraw/zinc/10/01/23/387100123.db2.gz KCDJRNNZMFOKHW-OAHLLOKOSA-N 1 0 237.346 3.730 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000418097360 387104189 /nfs/dbraw/zinc/10/41/89/387104189.db2.gz NMBMJZTVSHKVAQ-AAEUAGOBSA-N 1 0 249.785 3.833 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000418097363 191968632 /nfs/dbraw/zinc/96/86/32/191968632.db2.gz NMBMJZTVSHKVAQ-DGCLKSJQSA-N 1 0 249.785 3.833 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000418097365 191968528 /nfs/dbraw/zinc/96/85/28/191968528.db2.gz NMBMJZTVSHKVAQ-WCQYABFASA-N 1 0 249.785 3.833 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000418097367 387104700 /nfs/dbraw/zinc/10/47/00/387104700.db2.gz NMBMJZTVSHKVAQ-YPMHNXCESA-N 1 0 249.785 3.833 20 0 BHADRO c1ccc2cc(C[NH2+]C[C@@H]3CC34CC4)ccc2c1 ZINC000418099696 219947434 /nfs/dbraw/zinc/94/74/34/219947434.db2.gz QHBOKJIMYPGRHS-INIZCTEOSA-N 1 0 237.346 3.730 20 0 BHADRO c1ccc2cc(C[NH2+]C[C@H]3CC34CC4)ccc2c1 ZINC000418099697 219947260 /nfs/dbraw/zinc/94/72/60/219947260.db2.gz QHBOKJIMYPGRHS-MRXNPFEDSA-N 1 0 237.346 3.730 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418102492 387124461 /nfs/dbraw/zinc/12/44/61/387124461.db2.gz RSXDFNJWPWOCGQ-CAOSSQGBSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000418102499 387124059 /nfs/dbraw/zinc/12/40/59/387124059.db2.gz RSXDFNJWPWOCGQ-KLHDSHLOSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000418102502 387124101 /nfs/dbraw/zinc/12/41/01/387124101.db2.gz RSXDFNJWPWOCGQ-QKPAOTATSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000418102503 387123021 /nfs/dbraw/zinc/12/30/21/387123021.db2.gz RSXDFNJWPWOCGQ-ZJIFWQFVSA-N 1 0 247.357 3.660 20 0 BHADRO c1c2ccccc2sc1C[NH2+]C[C@H]1CC12CC2 ZINC000418102826 387125727 /nfs/dbraw/zinc/12/57/27/387125727.db2.gz VFZRPXJAEOLBCB-GFCCVEGCSA-N 1 0 243.375 3.791 20 0 BHADRO c1c2ccccc2sc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418102834 387125855 /nfs/dbraw/zinc/12/58/55/387125855.db2.gz VFZRPXJAEOLBCB-LBPRGKRZSA-N 1 0 243.375 3.791 20 0 BHADRO CC[C@@H](C[NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000418103240 191970028 /nfs/dbraw/zinc/97/00/28/191970028.db2.gz VUFOEIWZEWPHOH-DZGCQCFKSA-N 1 0 229.367 3.570 20 0 BHADRO CC[C@H](C[NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000418103241 191970127 /nfs/dbraw/zinc/97/01/27/191970127.db2.gz VUFOEIWZEWPHOH-HIFRSBDPSA-N 1 0 229.367 3.570 20 0 BHADRO CC[C@H](C[NH2+]C[C@H]1CC12CC2)c1ccccc1 ZINC000418103242 191970418 /nfs/dbraw/zinc/97/04/18/191970418.db2.gz VUFOEIWZEWPHOH-UKRRQHHQSA-N 1 0 229.367 3.570 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H]1CC12CC2)c1ccccc1 ZINC000418103243 191970393 /nfs/dbraw/zinc/97/03/93/191970393.db2.gz VUFOEIWZEWPHOH-ZFWWWQNUSA-N 1 0 229.367 3.570 20 0 BHADRO c1sc2ccccc2c1C[NH2+]C[C@H]1CC12CC2 ZINC000418103611 387126238 /nfs/dbraw/zinc/12/62/38/387126238.db2.gz VXYAFTZLAGXFMN-GFCCVEGCSA-N 1 0 243.375 3.791 20 0 BHADRO c1sc2ccccc2c1C[NH2+]C[C@@H]1CC12CC2 ZINC000418103612 387125363 /nfs/dbraw/zinc/12/53/63/387125363.db2.gz VXYAFTZLAGXFMN-LBPRGKRZSA-N 1 0 243.375 3.791 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1COCc2ccccc21 ZINC000418105248 387135355 /nfs/dbraw/zinc/13/53/55/387135355.db2.gz LBIDCYKNVKJLCL-BBRMVZONSA-N 1 0 247.382 3.530 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H]1COCc2ccccc21 ZINC000418105262 387134888 /nfs/dbraw/zinc/13/48/88/387134888.db2.gz LBIDCYKNVKJLCL-CJNGLKHVSA-N 1 0 247.382 3.530 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1COCc2ccccc21 ZINC000418105263 200827164 /nfs/dbraw/zinc/82/71/64/200827164.db2.gz LBIDCYKNVKJLCL-CZUORRHYSA-N 1 0 247.382 3.530 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1COCc2ccccc21 ZINC000418105264 387135488 /nfs/dbraw/zinc/13/54/88/387135488.db2.gz LBIDCYKNVKJLCL-XJKSGUPXSA-N 1 0 247.382 3.530 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@H]2CC23CC3)c1 ZINC000418105960 387136336 /nfs/dbraw/zinc/13/63/36/387136336.db2.gz YPZGWLGIDWOITI-CYBMUJFWSA-N 1 0 247.407 3.688 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000418105962 387136570 /nfs/dbraw/zinc/13/65/70/387136570.db2.gz YPZGWLGIDWOITI-ZDUSSCGKSA-N 1 0 247.407 3.688 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C[C@H]1CC12CC2 ZINC000418106137 487682418 /nfs/dbraw/zinc/68/24/18/487682418.db2.gz ZABZVJWMNHBODS-GFCCVEGCSA-N 1 0 241.334 3.631 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CC12CC2 ZINC000418106139 487682833 /nfs/dbraw/zinc/68/28/33/487682833.db2.gz ZABZVJWMNHBODS-LBPRGKRZSA-N 1 0 241.334 3.631 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccco2)cc1 ZINC000418106627 387220676 /nfs/dbraw/zinc/22/06/76/387220676.db2.gz NOZOYIHBAINJGZ-UHFFFAOYSA-N 1 0 243.350 3.699 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 ZINC000418109402 487769161 /nfs/dbraw/zinc/76/91/61/487769161.db2.gz IAPCBHLWIVHTPD-LLVKDONJSA-N 1 0 215.340 3.625 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 ZINC000418109403 487769206 /nfs/dbraw/zinc/76/92/06/487769206.db2.gz IAPCBHLWIVHTPD-NSHDSACASA-N 1 0 215.340 3.625 20 0 BHADRO CC1(C2([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000418111274 387188398 /nfs/dbraw/zinc/18/83/98/387188398.db2.gz GQRMERQOTYDFLU-GJZGRUSLSA-N 1 0 241.378 3.712 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccncc1)[C@H]1CC1(C)C ZINC000418111297 411314288 /nfs/dbraw/zinc/31/42/88/411314288.db2.gz XLKUZDQDMKYCES-JGUVHBTRSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccncc1)[C@@H]1CC1(C)C ZINC000418111299 411314437 /nfs/dbraw/zinc/31/44/37/411314437.db2.gz XLKUZDQDMKYCES-LUNKNMTDSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccncc1)[C@H]1CC1(C)C ZINC000418111302 387189865 /nfs/dbraw/zinc/18/98/65/387189865.db2.gz XLKUZDQDMKYCES-MUHKLVGJSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccncc1)[C@@H]1CC1(C)C ZINC000418111307 387190304 /nfs/dbraw/zinc/19/03/04/387190304.db2.gz XLKUZDQDMKYCES-WHJWBVKISA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(C2CC2)cc1 ZINC000418115291 387706877 /nfs/dbraw/zinc/70/68/77/387706877.db2.gz OIENDKRDAPPLMV-GFCCVEGCSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(C2CC2)cc1 ZINC000418115292 387706178 /nfs/dbraw/zinc/70/61/78/387706178.db2.gz OIENDKRDAPPLMV-LBPRGKRZSA-N 1 0 240.350 3.743 20 0 BHADRO C[N@H+](Cc1ccncc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418115887 387715248 /nfs/dbraw/zinc/71/52/48/387715248.db2.gz QANHVIDMGOTPPX-CABCVRRESA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418115888 387714905 /nfs/dbraw/zinc/71/49/05/387714905.db2.gz QANHVIDMGOTPPX-GJZGRUSLSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418115889 387716568 /nfs/dbraw/zinc/71/65/68/387716568.db2.gz QANHVIDMGOTPPX-HUUCEWRRSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418115890 387715398 /nfs/dbraw/zinc/71/53/98/387715398.db2.gz QANHVIDMGOTPPX-LSDHHAIUSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418117235 387027433 /nfs/dbraw/zinc/02/74/33/387027433.db2.gz RIDWBTYZSVIXJP-CABCVRRESA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418117237 387026329 /nfs/dbraw/zinc/02/63/29/387026329.db2.gz RIDWBTYZSVIXJP-GJZGRUSLSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418117241 387029398 /nfs/dbraw/zinc/02/93/98/387029398.db2.gz RIDWBTYZSVIXJP-HUUCEWRRSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418117242 191979339 /nfs/dbraw/zinc/97/93/39/191979339.db2.gz RIDWBTYZSVIXJP-LSDHHAIUSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1cccnc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418120138 387072162 /nfs/dbraw/zinc/07/21/62/387072162.db2.gz VTJXJKOCAWGWKV-CABCVRRESA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1cccnc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418120139 387071392 /nfs/dbraw/zinc/07/13/92/387071392.db2.gz VTJXJKOCAWGWKV-GJZGRUSLSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1cccnc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418120140 387071932 /nfs/dbraw/zinc/07/19/32/387071932.db2.gz VTJXJKOCAWGWKV-HUUCEWRRSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](Cc1cccnc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418120141 387072471 /nfs/dbraw/zinc/07/24/71/387072471.db2.gz VTJXJKOCAWGWKV-LSDHHAIUSA-N 1 0 246.398 3.728 20 0 BHADRO CC[C@@H](C[N@H+](C)CCCCOC)c1ccccc1 ZINC000418133279 387160698 /nfs/dbraw/zinc/16/06/98/387160698.db2.gz KESNZFWAHDYXRD-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@H](C[N@H+](C)CCCCOC)c1ccccc1 ZINC000418133280 387162050 /nfs/dbraw/zinc/16/20/50/387162050.db2.gz KESNZFWAHDYXRD-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO COCCCC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000418148485 387178573 /nfs/dbraw/zinc/17/85/73/387178573.db2.gz SYWLDLYHLCJBRO-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO COCCCC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000418148487 387179451 /nfs/dbraw/zinc/17/94/51/387179451.db2.gz SYWLDLYHLCJBRO-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@H]1c1ccc(C)cc1)OC ZINC000419180175 192101277 /nfs/dbraw/zinc/10/12/77/192101277.db2.gz XHOYJRGPQVMMIA-CVEARBPZSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(C)cc1)OC ZINC000419180176 192101815 /nfs/dbraw/zinc/10/18/15/192101815.db2.gz XHOYJRGPQVMMIA-HOTGVXAUSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1)OC ZINC000419180177 192101702 /nfs/dbraw/zinc/10/17/02/192101702.db2.gz XHOYJRGPQVMMIA-HZPDHXFCSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1)OC ZINC000419180178 192101291 /nfs/dbraw/zinc/10/12/91/192101291.db2.gz XHOYJRGPQVMMIA-JKSUJKDBSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@@H]1c1ccccc1C)OC ZINC000419206124 192103574 /nfs/dbraw/zinc/10/35/74/192103574.db2.gz KHKYOBGXQSJUCA-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@@H]1c1ccccc1C)OC ZINC000419206125 192104262 /nfs/dbraw/zinc/10/42/62/192104262.db2.gz KHKYOBGXQSJUCA-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@H]1c1ccccc1C)OC ZINC000419206126 192104039 /nfs/dbraw/zinc/10/40/39/192104039.db2.gz KHKYOBGXQSJUCA-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@H]1c1ccccc1C)OC ZINC000419206127 192103774 /nfs/dbraw/zinc/10/37/74/192103774.db2.gz KHKYOBGXQSJUCA-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@H]1c1cccc(C)c1)OC ZINC000419212254 192105543 /nfs/dbraw/zinc/10/55/43/192105543.db2.gz UODBYTGAYPGQJU-CVEARBPZSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@H]1c1cccc(C)c1)OC ZINC000419212255 192104633 /nfs/dbraw/zinc/10/46/33/192104633.db2.gz UODBYTGAYPGQJU-HOTGVXAUSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@@H]1c1cccc(C)c1)OC ZINC000419212256 192104967 /nfs/dbraw/zinc/10/49/67/192104967.db2.gz UODBYTGAYPGQJU-HZPDHXFCSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@@H]1c1cccc(C)c1)OC ZINC000419212257 192104964 /nfs/dbraw/zinc/10/49/64/192104964.db2.gz UODBYTGAYPGQJU-JKSUJKDBSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)OC ZINC000419215557 192105123 /nfs/dbraw/zinc/10/51/23/192105123.db2.gz AACZCXFQBCBFTD-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)OC ZINC000419215558 192104639 /nfs/dbraw/zinc/10/46/39/192104639.db2.gz AACZCXFQBCBFTD-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[NH2+][C@H](c1ccccc1)C1CCC1)OC ZINC000419215559 192105174 /nfs/dbraw/zinc/10/51/74/192105174.db2.gz AACZCXFQBCBFTD-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C[NH2+][C@H](c1ccccc1)C1CCC1)OC ZINC000419215560 192104564 /nfs/dbraw/zinc/10/45/64/192104564.db2.gz AACZCXFQBCBFTD-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[N@@H+]1CCCC[C@H]1c1ccccc1)OC ZINC000419244378 192113467 /nfs/dbraw/zinc/11/34/67/192113467.db2.gz MWOMCBXRKXGXTF-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](C[N@@H+]1CCCC[C@H]1c1ccccc1)OC ZINC000419244379 192113226 /nfs/dbraw/zinc/11/32/26/192113226.db2.gz MWOMCBXRKXGXTF-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](C[N@@H+]1CCCC[C@@H]1c1ccccc1)OC ZINC000419244380 192113046 /nfs/dbraw/zinc/11/30/46/192113046.db2.gz MWOMCBXRKXGXTF-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](C[N@@H+]1CCCC[C@@H]1c1ccccc1)OC ZINC000419244381 192113942 /nfs/dbraw/zinc/11/39/42/192113942.db2.gz MWOMCBXRKXGXTF-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](C[N@H+]([C@@H](C)c1ccccc1)C1CC1)OC ZINC000419253900 192115844 /nfs/dbraw/zinc/11/58/44/192115844.db2.gz FFDNOFPFDQJRBL-BBRMVZONSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H](C[N@H+]([C@H](C)c1ccccc1)C1CC1)OC ZINC000419253901 192115810 /nfs/dbraw/zinc/11/58/10/192115810.db2.gz FFDNOFPFDQJRBL-CJNGLKHVSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H](C[N@H+]([C@H](C)c1ccccc1)C1CC1)OC ZINC000419253902 192116150 /nfs/dbraw/zinc/11/61/50/192116150.db2.gz FFDNOFPFDQJRBL-CZUORRHYSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H](C[N@H+]([C@@H](C)c1ccccc1)C1CC1)OC ZINC000419253903 192115688 /nfs/dbraw/zinc/11/56/88/192115688.db2.gz FFDNOFPFDQJRBL-XJKSGUPXSA-N 1 0 247.382 3.637 20 0 BHADRO COCCCC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419312260 192120475 /nfs/dbraw/zinc/12/04/75/192120475.db2.gz CNPZYPYWQMRKRH-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419312264 192119906 /nfs/dbraw/zinc/11/99/06/192119906.db2.gz CNPZYPYWQMRKRH-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419312266 192119669 /nfs/dbraw/zinc/11/96/69/192119669.db2.gz CNPZYPYWQMRKRH-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419312267 192121459 /nfs/dbraw/zinc/12/14/59/192121459.db2.gz CNPZYPYWQMRKRH-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO C1=C(C[NH+]2CCC(OC3CCC3)CC2)CCCC1 ZINC000419312428 192121028 /nfs/dbraw/zinc/12/10/28/192121028.db2.gz YTUQWBQCFFHWSU-UHFFFAOYSA-N 1 0 249.398 3.520 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)[C@H]1CC1(C)C ZINC000419314082 192120804 /nfs/dbraw/zinc/12/08/04/192120804.db2.gz LYGOLBQHOIXOBC-NEPJUHHUSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)[C@@H]1CC1(C)C ZINC000419314083 192121192 /nfs/dbraw/zinc/12/11/92/192121192.db2.gz LYGOLBQHOIXOBC-NWDGAFQWSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H]([NH2+]CCCCCF)[C@@H]1CC1(C)C ZINC000419314084 192120877 /nfs/dbraw/zinc/12/08/77/192120877.db2.gz LYGOLBQHOIXOBC-RYUDHWBXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H]([NH2+]CCCCCF)[C@H]1CC1(C)C ZINC000419314085 192121090 /nfs/dbraw/zinc/12/10/90/192121090.db2.gz LYGOLBQHOIXOBC-VXGBXAGGSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1ccc(C2CC2)cc1 ZINC000419332419 192123886 /nfs/dbraw/zinc/12/38/86/192123886.db2.gz HTFOJMWLNPFKSV-GFCCVEGCSA-N 1 0 235.346 3.964 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1ccc(C2CC2)cc1 ZINC000419332421 192124084 /nfs/dbraw/zinc/12/40/84/192124084.db2.gz HTFOJMWLNPFKSV-LBPRGKRZSA-N 1 0 235.346 3.964 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]CCCCF)cc1 ZINC000419333490 192124553 /nfs/dbraw/zinc/12/45/53/192124553.db2.gz MFOHYHYEVDERKO-UHFFFAOYSA-N 1 0 237.362 3.655 20 0 BHADRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCCOC(C)(C)C ZINC000419335070 192124782 /nfs/dbraw/zinc/12/47/82/192124782.db2.gz HKAGEEDYIJKQEK-HZSPNIEDSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@@H]1[C@H](C)C[N@H+](CCCCOC(C)(C)C)[C@H]1C ZINC000419335071 192124940 /nfs/dbraw/zinc/12/49/40/192124940.db2.gz HKAGEEDYIJKQEK-MCIONIFRSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@H]1[C@@H](C)[N@@H+](CCCCOC(C)(C)C)C[C@H]1C ZINC000419335072 192124557 /nfs/dbraw/zinc/12/45/57/192124557.db2.gz HKAGEEDYIJKQEK-MGPQQGTHSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@@H]1C[N@H+](CCCCOC(C)(C)C)[C@@H](C)[C@H]1C ZINC000419335073 192125364 /nfs/dbraw/zinc/12/53/64/192125364.db2.gz HKAGEEDYIJKQEK-RDBSUJKOSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419337303 192125076 /nfs/dbraw/zinc/12/50/76/192125076.db2.gz KXVRMYSUHOFXCM-CYBMUJFWSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419337304 192124320 /nfs/dbraw/zinc/12/43/20/192124320.db2.gz KXVRMYSUHOFXCM-ZDUSSCGKSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419339292 192125228 /nfs/dbraw/zinc/12/52/28/192125228.db2.gz LVDORKIZHNERJS-NEPJUHHUSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C2CC2)cc1 ZINC000419339304 192124443 /nfs/dbraw/zinc/12/44/43/192124443.db2.gz LVDORKIZHNERJS-NWDGAFQWSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419339307 192125132 /nfs/dbraw/zinc/12/51/32/192125132.db2.gz LVDORKIZHNERJS-RYUDHWBXSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419339310 192124434 /nfs/dbraw/zinc/12/44/34/192124434.db2.gz LVDORKIZHNERJS-VXGBXAGGSA-N 1 0 235.346 3.963 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]CC[C@@H](C)F)cc1 ZINC000419340377 192125701 /nfs/dbraw/zinc/12/57/01/192125701.db2.gz WQSNGGPMEPJRBB-CYBMUJFWSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]CC[C@H](C)F)cc1 ZINC000419340378 192125680 /nfs/dbraw/zinc/12/56/80/192125680.db2.gz WQSNGGPMEPJRBB-ZDUSSCGKSA-N 1 0 237.362 3.654 20 0 BHADRO CSCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419344008 192126130 /nfs/dbraw/zinc/12/61/30/192126130.db2.gz RLTVFCXKRUNSPW-LLVKDONJSA-N 1 0 235.396 3.578 20 0 BHADRO CSCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419344009 192125789 /nfs/dbraw/zinc/12/57/89/192125789.db2.gz RLTVFCXKRUNSPW-NSHDSACASA-N 1 0 235.396 3.578 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C2CC2)cc1)OC ZINC000419344251 192126290 /nfs/dbraw/zinc/12/62/90/192126290.db2.gz ROTWYMWWUFHFNT-BLLLJJGKSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C2CC2)cc1)OC ZINC000419344252 192125617 /nfs/dbraw/zinc/12/56/17/192125617.db2.gz ROTWYMWWUFHFNT-LRDDRELGSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ccc(C2CC2)cc1)OC ZINC000419344253 192126069 /nfs/dbraw/zinc/12/60/69/192126069.db2.gz ROTWYMWWUFHFNT-MLGOLLRUSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C2CC2)cc1)OC ZINC000419344254 192125913 /nfs/dbraw/zinc/12/59/13/192125913.db2.gz ROTWYMWWUFHFNT-WBMJQRKESA-N 1 0 247.382 3.640 20 0 BHADRO COCCCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419350033 192125482 /nfs/dbraw/zinc/12/54/82/192125482.db2.gz YYWSFPDWHSLHNQ-CYBMUJFWSA-N 1 0 247.382 3.641 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419350034 192126197 /nfs/dbraw/zinc/12/61/97/192126197.db2.gz YYWSFPDWHSLHNQ-ZDUSSCGKSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419351212 192126340 /nfs/dbraw/zinc/12/63/40/192126340.db2.gz IXMJBBABFSTFQK-CYBMUJFWSA-N 1 0 247.382 3.641 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419351213 192125914 /nfs/dbraw/zinc/12/59/14/192125914.db2.gz IXMJBBABFSTFQK-ZDUSSCGKSA-N 1 0 247.382 3.641 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc(C2CC2)cc1 ZINC000419356490 192127228 /nfs/dbraw/zinc/12/72/28/192127228.db2.gz OGIOVSVYJAOUQL-LLVKDONJSA-N 1 0 221.319 3.574 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc(C2CC2)cc1 ZINC000419356491 192126781 /nfs/dbraw/zinc/12/67/81/192126781.db2.gz OGIOVSVYJAOUQL-NSHDSACASA-N 1 0 221.319 3.574 20 0 BHADRO CSCCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419366229 192127665 /nfs/dbraw/zinc/12/76/65/192127665.db2.gz YTPYNBJXIHNESQ-GFCCVEGCSA-N 1 0 249.423 3.968 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419366230 192127651 /nfs/dbraw/zinc/12/76/51/192127651.db2.gz YTPYNBJXIHNESQ-LBPRGKRZSA-N 1 0 249.423 3.968 20 0 BHADRO C[C@H]1[C@@H](C)[N@@H+](CCCCC(F)(F)F)C[C@H]1C ZINC000419378490 192132673 /nfs/dbraw/zinc/13/26/73/192132673.db2.gz VQVHNGYVLDYPHQ-GMTAPVOTSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1[C@H](C)C[N@H+](CCCCC(F)(F)F)[C@H]1C ZINC000419378491 192132330 /nfs/dbraw/zinc/13/23/30/192132330.db2.gz VQVHNGYVLDYPHQ-MXWKQRLJSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCCC(F)(F)F ZINC000419378492 192132916 /nfs/dbraw/zinc/13/29/16/192132916.db2.gz VQVHNGYVLDYPHQ-OUAUKWLOSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1C[N@H+](CCCCC(F)(F)F)[C@@H](C)[C@H]1C ZINC000419378493 192132312 /nfs/dbraw/zinc/13/23/12/192132312.db2.gz VQVHNGYVLDYPHQ-VWYCJHECSA-N 1 0 237.309 3.695 20 0 BHADRO COCCCC[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000419382832 192133459 /nfs/dbraw/zinc/13/34/59/192133459.db2.gz INTRTFHMNAPOPC-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO COCCCC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000419382833 192133731 /nfs/dbraw/zinc/13/37/31/192133731.db2.gz INTRTFHMNAPOPC-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000419826150 192146484 /nfs/dbraw/zinc/14/64/84/192146484.db2.gz WETMDTIOTYEBTJ-ZIAGYGMSSA-N 1 0 239.309 3.504 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cccc(N)c1 ZINC000420364472 192223910 /nfs/dbraw/zinc/22/39/10/192223910.db2.gz QYOCIJJEHUGXPD-ZDUSSCGKSA-N 1 0 246.398 3.669 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000420380476 192233341 /nfs/dbraw/zinc/23/33/41/192233341.db2.gz WVEWHJJFJMLAPM-HNNXBMFYSA-N 1 0 246.398 3.669 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000420380477 192233051 /nfs/dbraw/zinc/23/30/51/192233051.db2.gz WVEWHJJFJMLAPM-OAHLLOKOSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000420393467 192236762 /nfs/dbraw/zinc/23/67/62/192236762.db2.gz CCTAHLXHYUWMKW-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000420393468 192237166 /nfs/dbraw/zinc/23/71/66/192237166.db2.gz CCTAHLXHYUWMKW-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000420393469 192237538 /nfs/dbraw/zinc/23/75/38/192237538.db2.gz CCTAHLXHYUWMKW-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000420393470 192237093 /nfs/dbraw/zinc/23/70/93/192237093.db2.gz CCTAHLXHYUWMKW-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000420925732 388017514 /nfs/dbraw/zinc/01/75/14/388017514.db2.gz WRSLYLZGLAKPDV-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000420925734 224832307 /nfs/dbraw/zinc/83/23/07/224832307.db2.gz WRSLYLZGLAKPDV-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940974 192289060 /nfs/dbraw/zinc/28/90/60/192289060.db2.gz FBYCTUZNKAPJDO-LLVKDONJSA-N 1 0 235.293 3.617 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940975 192289336 /nfs/dbraw/zinc/28/93/36/192289336.db2.gz FBYCTUZNKAPJDO-NSHDSACASA-N 1 0 235.293 3.617 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420943261 192288487 /nfs/dbraw/zinc/28/84/87/192288487.db2.gz ICPVZCWIBJCTGR-LLVKDONJSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943262 192288461 /nfs/dbraw/zinc/28/84/61/192288461.db2.gz ICPVZCWIBJCTGR-NSHDSACASA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944233 192276780 /nfs/dbraw/zinc/27/67/80/192276780.db2.gz JDAJYTWNSZZSDG-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944234 192275384 /nfs/dbraw/zinc/27/53/84/192275384.db2.gz JDAJYTWNSZZSDG-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944235 192275773 /nfs/dbraw/zinc/27/57/73/192275773.db2.gz JDAJYTWNSZZSDG-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944236 192276496 /nfs/dbraw/zinc/27/64/96/192276496.db2.gz JDAJYTWNSZZSDG-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000420950109 192275870 /nfs/dbraw/zinc/27/58/70/192275870.db2.gz POESEFZTRBUHSI-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000420950111 192275327 /nfs/dbraw/zinc/27/53/27/192275327.db2.gz POESEFZTRBUHSI-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCC1 ZINC000420951378 192277627 /nfs/dbraw/zinc/27/76/27/192277627.db2.gz QTBPOKHCGWGDOX-LLVKDONJSA-N 1 0 249.320 3.841 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCC1 ZINC000420951380 192278407 /nfs/dbraw/zinc/27/84/07/192278407.db2.gz QTBPOKHCGWGDOX-NSHDSACASA-N 1 0 249.320 3.841 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420953635 192277990 /nfs/dbraw/zinc/27/79/90/192277990.db2.gz TYFSBZWQJVDSKH-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420953636 192278398 /nfs/dbraw/zinc/27/83/98/192278398.db2.gz TYFSBZWQJVDSKH-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420953637 192277722 /nfs/dbraw/zinc/27/77/22/192277722.db2.gz TYFSBZWQJVDSKH-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420953638 192278419 /nfs/dbraw/zinc/27/84/19/192278419.db2.gz TYFSBZWQJVDSKH-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CCC1 ZINC000420955949 491104863 /nfs/dbraw/zinc/10/48/63/491104863.db2.gz YOMVGOKBDFCRFY-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CCC1 ZINC000420955953 491104690 /nfs/dbraw/zinc/10/46/90/491104690.db2.gz YOMVGOKBDFCRFY-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000420956142 192279016 /nfs/dbraw/zinc/27/90/16/192279016.db2.gz XUSHQDSOACXMAN-NEPJUHHUSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000420956143 192280266 /nfs/dbraw/zinc/28/02/66/192280266.db2.gz XUSHQDSOACXMAN-NWDGAFQWSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000420956144 192279465 /nfs/dbraw/zinc/27/94/65/192279465.db2.gz XUSHQDSOACXMAN-RYUDHWBXSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000420956145 192279713 /nfs/dbraw/zinc/27/97/13/192279713.db2.gz XUSHQDSOACXMAN-VXGBXAGGSA-N 1 0 247.304 3.760 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959492 192280982 /nfs/dbraw/zinc/28/09/82/192280982.db2.gz FCPSDQZXLDDYRH-DZGCQCFKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959495 192281986 /nfs/dbraw/zinc/28/19/86/192281986.db2.gz FCPSDQZXLDDYRH-HIFRSBDPSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959497 192281963 /nfs/dbraw/zinc/28/19/63/192281963.db2.gz FCPSDQZXLDDYRH-UKRRQHHQSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959499 192281675 /nfs/dbraw/zinc/28/16/75/192281675.db2.gz FCPSDQZXLDDYRH-ZFWWWQNUSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966012 192284922 /nfs/dbraw/zinc/28/49/22/192284922.db2.gz UMEQBYATDCNCGR-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966013 192284538 /nfs/dbraw/zinc/28/45/38/192284538.db2.gz UMEQBYATDCNCGR-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966014 192285462 /nfs/dbraw/zinc/28/54/62/192285462.db2.gz UMEQBYATDCNCGR-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966015 192285165 /nfs/dbraw/zinc/28/51/65/192285165.db2.gz UMEQBYATDCNCGR-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO FC1(F)CC(C[N@@H+]2CC[C@@H](C3CCCC3)C2)C1 ZINC000420966599 192284367 /nfs/dbraw/zinc/28/43/67/192284367.db2.gz VQQYUEQAGIVVDL-CYBMUJFWSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC(C[N@@H+]2CC[C@H](C3CCCC3)C2)C1 ZINC000420966608 192285356 /nfs/dbraw/zinc/28/53/56/192285356.db2.gz VQQYUEQAGIVVDL-ZDUSSCGKSA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)=CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420988476 192292529 /nfs/dbraw/zinc/29/25/29/192292529.db2.gz UNXFSRLPUIDSIS-CYBMUJFWSA-N 1 0 239.309 3.939 20 0 BHADRO CC(C)=CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420988478 192291225 /nfs/dbraw/zinc/29/12/25/192291225.db2.gz UNXFSRLPUIDSIS-ZDUSSCGKSA-N 1 0 239.309 3.939 20 0 BHADRO FCCCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420988645 192292636 /nfs/dbraw/zinc/29/26/36/192292636.db2.gz ARPUOUNEKHNXJK-GFCCVEGCSA-N 1 0 245.288 3.722 20 0 BHADRO FCCCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420988651 192291443 /nfs/dbraw/zinc/29/14/43/192291443.db2.gz ARPUOUNEKHNXJK-LBPRGKRZSA-N 1 0 245.288 3.722 20 0 BHADRO CC(C)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420989303 192292154 /nfs/dbraw/zinc/29/21/54/192292154.db2.gz XCFYJRQYOHEUGW-GFCCVEGCSA-N 1 0 227.298 3.629 20 0 BHADRO CC(C)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420989306 192291919 /nfs/dbraw/zinc/29/19/19/192291919.db2.gz XCFYJRQYOHEUGW-LBPRGKRZSA-N 1 0 227.298 3.629 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420991161 192292883 /nfs/dbraw/zinc/29/28/83/192292883.db2.gz HXQLBDZPFHVZEH-NEPJUHHUSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420991162 192292387 /nfs/dbraw/zinc/29/23/87/192292387.db2.gz HXQLBDZPFHVZEH-NWDGAFQWSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420991163 192292340 /nfs/dbraw/zinc/29/23/40/192292340.db2.gz HXQLBDZPFHVZEH-RYUDHWBXSA-N 1 0 245.288 3.721 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420991164 192292307 /nfs/dbraw/zinc/29/23/07/192292307.db2.gz HXQLBDZPFHVZEH-VXGBXAGGSA-N 1 0 245.288 3.721 20 0 BHADRO CCCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420997432 192293285 /nfs/dbraw/zinc/29/32/85/192293285.db2.gz RVZDTSFUVVKBID-GFCCVEGCSA-N 1 0 227.298 3.773 20 0 BHADRO CCCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420997435 192294938 /nfs/dbraw/zinc/29/49/38/192294938.db2.gz RVZDTSFUVVKBID-LBPRGKRZSA-N 1 0 227.298 3.773 20 0 BHADRO FC(F)C[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000420997461 192294256 /nfs/dbraw/zinc/29/42/56/192294256.db2.gz RXFPRPHTPZDSTR-CYBMUJFWSA-N 1 0 239.309 3.773 20 0 BHADRO FC(F)C[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000420997462 192294742 /nfs/dbraw/zinc/29/47/42/192294742.db2.gz RXFPRPHTPZDSTR-ZDUSSCGKSA-N 1 0 239.309 3.773 20 0 BHADRO FC(F)C[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000420997561 192294127 /nfs/dbraw/zinc/29/41/27/192294127.db2.gz SGIFMQAXWMIBJQ-CYBMUJFWSA-N 1 0 239.309 3.915 20 0 BHADRO FC(F)C[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000420997563 192294287 /nfs/dbraw/zinc/29/42/87/192294287.db2.gz SGIFMQAXWMIBJQ-ZDUSSCGKSA-N 1 0 239.309 3.915 20 0 BHADRO CC(C)[N@H+](CCCF)[C@H](C)c1ccsc1 ZINC000420998166 192294933 /nfs/dbraw/zinc/29/49/33/192294933.db2.gz ASZKXUUBVFFJLQ-LLVKDONJSA-N 1 0 229.364 3.879 20 0 BHADRO CC(C)[N@H+](CCCF)[C@@H](C)c1ccsc1 ZINC000420998167 192294252 /nfs/dbraw/zinc/29/42/52/192294252.db2.gz ASZKXUUBVFFJLQ-NSHDSACASA-N 1 0 229.364 3.879 20 0 BHADRO C[C@H](F)CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420999923 192295413 /nfs/dbraw/zinc/29/54/13/192295413.db2.gz VKARVEMNDXONPT-CMPLNLGQSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420999924 192295275 /nfs/dbraw/zinc/29/52/75/192295275.db2.gz VKARVEMNDXONPT-JQWIXIFHSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420999925 192296926 /nfs/dbraw/zinc/29/69/26/192296926.db2.gz VKARVEMNDXONPT-PWSUYJOCSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420999926 192297046 /nfs/dbraw/zinc/29/70/46/192297046.db2.gz VKARVEMNDXONPT-ZYHUDNBSSA-N 1 0 245.288 3.721 20 0 BHADRO FC(F)C[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000421001448 192295433 /nfs/dbraw/zinc/29/54/33/192295433.db2.gz WWZBNYBJEGLVCT-CYBMUJFWSA-N 1 0 239.309 3.773 20 0 BHADRO FC(F)C[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000421001449 192295468 /nfs/dbraw/zinc/29/54/68/192295468.db2.gz WWZBNYBJEGLVCT-ZDUSSCGKSA-N 1 0 239.309 3.773 20 0 BHADRO CCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421004912 192298684 /nfs/dbraw/zinc/29/86/84/192298684.db2.gz IUEOGBIOLAJGSO-LLVKDONJSA-N 1 0 211.374 3.930 20 0 BHADRO CCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421004916 192298777 /nfs/dbraw/zinc/29/87/77/192298777.db2.gz IUEOGBIOLAJGSO-NSHDSACASA-N 1 0 211.374 3.930 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@H](C)c1ccsc1 ZINC000421005484 192297421 /nfs/dbraw/zinc/29/74/21/192297421.db2.gz JIROHDGVJXQDEK-LLVKDONJSA-N 1 0 223.385 3.930 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@@H](C)c1ccsc1 ZINC000421005485 192297835 /nfs/dbraw/zinc/29/78/35/192297835.db2.gz JIROHDGVJXQDEK-NSHDSACASA-N 1 0 223.385 3.930 20 0 BHADRO CCOCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421006439 192298811 /nfs/dbraw/zinc/29/88/11/192298811.db2.gz JYKVQEJLVILFHW-GFCCVEGCSA-N 1 0 241.400 3.556 20 0 BHADRO CCOCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421006440 192298582 /nfs/dbraw/zinc/29/85/82/192298582.db2.gz JYKVQEJLVILFHW-LBPRGKRZSA-N 1 0 241.400 3.556 20 0 BHADRO COCCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421012057 192301277 /nfs/dbraw/zinc/30/12/77/192301277.db2.gz PVNZJJILRWTLPK-GFCCVEGCSA-N 1 0 241.400 3.556 20 0 BHADRO COCCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421012061 192301242 /nfs/dbraw/zinc/30/12/42/192301242.db2.gz PVNZJJILRWTLPK-LBPRGKRZSA-N 1 0 241.400 3.556 20 0 BHADRO CSCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421016766 192304352 /nfs/dbraw/zinc/30/43/52/192304352.db2.gz UZJFENQEBGZACT-LLVKDONJSA-N 1 0 243.441 3.883 20 0 BHADRO CSCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421016767 192303602 /nfs/dbraw/zinc/30/36/02/192303602.db2.gz UZJFENQEBGZACT-NSHDSACASA-N 1 0 243.441 3.883 20 0 BHADRO CO[C@H](C)C[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421017975 192304849 /nfs/dbraw/zinc/30/48/49/192304849.db2.gz VXARQKVEGPGXLH-NEPJUHHUSA-N 1 0 241.400 3.554 20 0 BHADRO CO[C@@H](C)C[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421017976 192304862 /nfs/dbraw/zinc/30/48/62/192304862.db2.gz VXARQKVEGPGXLH-NWDGAFQWSA-N 1 0 241.400 3.554 20 0 BHADRO CO[C@@H](C)C[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421017977 192303329 /nfs/dbraw/zinc/30/33/29/192303329.db2.gz VXARQKVEGPGXLH-RYUDHWBXSA-N 1 0 241.400 3.554 20 0 BHADRO CO[C@H](C)C[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421017978 192304465 /nfs/dbraw/zinc/30/44/65/192304465.db2.gz VXARQKVEGPGXLH-VXGBXAGGSA-N 1 0 241.400 3.554 20 0 BHADRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000421030065 192309397 /nfs/dbraw/zinc/30/93/97/192309397.db2.gz XZJBEZFXSJZUGJ-AWEZNQCLSA-N 1 0 235.346 3.614 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000421030066 192308757 /nfs/dbraw/zinc/30/87/57/192308757.db2.gz XZJBEZFXSJZUGJ-CQSZACIVSA-N 1 0 235.346 3.614 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(C)n1 ZINC000421207039 192312782 /nfs/dbraw/zinc/31/27/82/192312782.db2.gz VFOWJNRVIIFLEJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccccc2)cc(C)n1 ZINC000421207044 192313107 /nfs/dbraw/zinc/31/31/07/192313107.db2.gz VFOWJNRVIIFLEJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO c1cc(C[N@@H+]2CCC23CCC3)cc(C2CC2)c1 ZINC000421318354 192317040 /nfs/dbraw/zinc/31/70/40/192317040.db2.gz DZBXYTZXZWHJAJ-UHFFFAOYSA-N 1 0 227.351 3.692 20 0 BHADRO C[N@H+](Cc1cccc(C2CC2)c1)C1CCC1 ZINC000421319387 192317099 /nfs/dbraw/zinc/31/70/99/192317099.db2.gz MLVHIWMSISGWOO-UHFFFAOYSA-N 1 0 215.340 3.548 20 0 BHADRO Oc1cccc(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421320412 192316445 /nfs/dbraw/zinc/31/64/45/192316445.db2.gz CBLPPZDPXCEWII-UHFFFAOYSA-N 1 0 245.366 3.595 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCCC2)c1cccnc1 ZINC000421321096 192317511 /nfs/dbraw/zinc/31/75/11/192317511.db2.gz BEFHQLYIEJBNPK-CYBMUJFWSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCCC2)c1cccnc1 ZINC000421321098 192318242 /nfs/dbraw/zinc/31/82/42/192318242.db2.gz BEFHQLYIEJBNPK-ZDUSSCGKSA-N 1 0 244.382 3.845 20 0 BHADRO CC(C)OCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421321652 192318479 /nfs/dbraw/zinc/31/84/79/192318479.db2.gz CFDKCGBSNRRLPH-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[N@H+](Cc1ccc[nH]1)Cc1cccc(C2CC2)c1 ZINC000421323520 192317576 /nfs/dbraw/zinc/31/75/76/192317576.db2.gz WFQWHSQWEGYKJO-UHFFFAOYSA-N 1 0 240.350 3.524 20 0 BHADRO C[N@H+](Cc1ccoc1)Cc1cccc(C2CC2)c1 ZINC000421323898 192317640 /nfs/dbraw/zinc/31/76/40/192317640.db2.gz WVRMBGBJQLHXAX-UHFFFAOYSA-N 1 0 241.334 3.789 20 0 BHADRO C1C([NH2+]C2CCCC2)CC12CCCCC2 ZINC000421324097 192317391 /nfs/dbraw/zinc/31/73/91/192317391.db2.gz HPOVENOWUSJMDG-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO c1coc(CC[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421324976 192317307 /nfs/dbraw/zinc/31/73/07/192317307.db2.gz JALGDTYSIZIUJP-UHFFFAOYSA-N 1 0 233.355 3.525 20 0 BHADRO C1C([NH2+]C2CCSCC2)CC12CCCCC2 ZINC000421325310 192317860 /nfs/dbraw/zinc/31/78/60/192317860.db2.gz LJWOYVPDVUUELQ-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO C[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CCSC1 ZINC000421325566 192317617 /nfs/dbraw/zinc/31/76/17/192317617.db2.gz CRUVEPBSBNECFE-HNNXBMFYSA-N 1 0 247.407 3.501 20 0 BHADRO C[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCSC1 ZINC000421325569 192318399 /nfs/dbraw/zinc/31/83/99/192318399.db2.gz CRUVEPBSBNECFE-OAHLLOKOSA-N 1 0 247.407 3.501 20 0 BHADRO COCCCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421329954 192317914 /nfs/dbraw/zinc/31/79/14/192317914.db2.gz WNKYLHJWQLNSTD-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCOCCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421331314 192318446 /nfs/dbraw/zinc/31/84/46/192318446.db2.gz JMAOOMRZCVALHM-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ccc(C[NH2+]C2CC3(C2)CCCCC3)cn1 ZINC000421332017 192319090 /nfs/dbraw/zinc/31/90/90/192319090.db2.gz KZKASSADRBIFON-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCCC2)c1ccccn1 ZINC000421334661 192318887 /nfs/dbraw/zinc/31/88/87/192318887.db2.gz QPCHUBVJPXVHHA-CYBMUJFWSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCCC2)c1ccccn1 ZINC000421334662 192319021 /nfs/dbraw/zinc/31/90/21/192319021.db2.gz QPCHUBVJPXVHHA-ZDUSSCGKSA-N 1 0 244.382 3.845 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1cccc(C2CC2)c1 ZINC000421334714 388027331 /nfs/dbraw/zinc/02/73/31/388027331.db2.gz ZYAVHYJQJMCJEZ-UHFFFAOYSA-N 1 0 241.334 3.789 20 0 BHADRO Cc1cccnc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421335715 388026814 /nfs/dbraw/zinc/02/68/14/388026814.db2.gz UAYGUUKADYGHPH-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)C(F)(F)F ZINC000421337256 192318763 /nfs/dbraw/zinc/31/87/63/192318763.db2.gz BZVZODUZZXWQBS-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+]C1CC2(C1)CCCCC2)C(F)(F)F ZINC000421337355 192318930 /nfs/dbraw/zinc/31/89/30/192318930.db2.gz BZVZODUZZXWQBS-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO c1cc(C[N@@H+]2CCCSCC2)cc(C2CC2)c1 ZINC000421337434 192319009 /nfs/dbraw/zinc/31/90/09/192319009.db2.gz CFUFFNDKEZOAGH-UHFFFAOYSA-N 1 0 247.407 3.503 20 0 BHADRO Cc1cncc(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421344115 192318997 /nfs/dbraw/zinc/31/89/97/192318997.db2.gz RYLLCCQSWGHDGO-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421352173 192320681 /nfs/dbraw/zinc/32/06/81/192320681.db2.gz DHGUDBWXZDXAEL-NEPJUHHUSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421352174 192321060 /nfs/dbraw/zinc/32/10/60/192321060.db2.gz DHGUDBWXZDXAEL-NWDGAFQWSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421352175 192320344 /nfs/dbraw/zinc/32/03/44/192320344.db2.gz DHGUDBWXZDXAEL-RYUDHWBXSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421352176 192320593 /nfs/dbraw/zinc/32/05/93/192320593.db2.gz DHGUDBWXZDXAEL-VXGBXAGGSA-N 1 0 225.351 3.580 20 0 BHADRO FC1(F)CC(C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421353172 192321042 /nfs/dbraw/zinc/32/10/42/192321042.db2.gz FIZDPMORTHJOGK-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421357615 192332745 /nfs/dbraw/zinc/33/27/45/192332745.db2.gz POJCJKJZLBBNNE-CABCVRRESA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421357616 192332847 /nfs/dbraw/zinc/33/28/47/192332847.db2.gz POJCJKJZLBBNNE-GJZGRUSLSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421357617 192332402 /nfs/dbraw/zinc/33/24/02/192332402.db2.gz POJCJKJZLBBNNE-HUUCEWRRSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421357618 192332934 /nfs/dbraw/zinc/33/29/34/192332934.db2.gz POJCJKJZLBBNNE-LSDHHAIUSA-N 1 0 233.330 3.544 20 0 BHADRO FC1(CC[NH2+]C2CC3(C2)CCCCC3)CCC1 ZINC000421359282 192332117 /nfs/dbraw/zinc/33/21/17/192332117.db2.gz WFLSMMOFAHZRIF-UHFFFAOYSA-N 1 0 239.378 3.971 20 0 BHADRO CSCCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421361527 192331808 /nfs/dbraw/zinc/33/18/08/192331808.db2.gz HAXVGXGJZDYZAL-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO C1=CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421364050 192333195 /nfs/dbraw/zinc/33/31/95/192333195.db2.gz NDDHMTGLEFPEFH-CYBMUJFWSA-N 1 0 219.372 3.798 20 0 BHADRO C1=CC[C@H]([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421364051 192333547 /nfs/dbraw/zinc/33/35/47/192333547.db2.gz NDDHMTGLEFPEFH-ZDUSSCGKSA-N 1 0 219.372 3.798 20 0 BHADRO C([NH2+]C1CC2(C1)CCCCC2)[C@H]1CCCS1 ZINC000421364508 192333287 /nfs/dbraw/zinc/33/32/87/192333287.db2.gz OTTHETAHGNELNJ-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C([NH2+]C1CC2(C1)CCCCC2)[C@@H]1CCCS1 ZINC000421364509 192333587 /nfs/dbraw/zinc/33/35/87/192333587.db2.gz OTTHETAHGNELNJ-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000421366272 192333228 /nfs/dbraw/zinc/33/32/28/192333228.db2.gz AFCGPLBCHNZOBH-LLVKDONJSA-N 1 0 246.329 3.510 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000421366273 192333671 /nfs/dbraw/zinc/33/36/71/192333671.db2.gz AFCGPLBCHNZOBH-NSHDSACASA-N 1 0 246.329 3.510 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421369360 192334787 /nfs/dbraw/zinc/33/47/87/192334787.db2.gz AXYFOMWTVOGMAW-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421369361 192334710 /nfs/dbraw/zinc/33/47/10/192334710.db2.gz AXYFOMWTVOGMAW-BYNSBNAKSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421369362 192334517 /nfs/dbraw/zinc/33/45/17/192334517.db2.gz AXYFOMWTVOGMAW-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421369363 192334397 /nfs/dbraw/zinc/33/43/97/192334397.db2.gz AXYFOMWTVOGMAW-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CC1CC([NH2+][C@@H](CC(F)F)c2ccccc2)C1 ZINC000421369586 192334583 /nfs/dbraw/zinc/33/45/83/192334583.db2.gz IERPWXUKRGPZFK-GDKBPFBDSA-N 1 0 239.309 3.771 20 0 BHADRO CC1CC([NH2+][C@H](CC(F)F)c2ccccc2)C1 ZINC000421369587 192334673 /nfs/dbraw/zinc/33/46/73/192334673.db2.gz IERPWXUKRGPZFK-KGPNIALWSA-N 1 0 239.309 3.771 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CC12CCSCC2 ZINC000421370024 192335853 /nfs/dbraw/zinc/33/58/53/192335853.db2.gz CZADHQCNQCVBBG-GFCCVEGCSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421370026 192335171 /nfs/dbraw/zinc/33/51/71/192335171.db2.gz CZADHQCNQCVBBG-LBPRGKRZSA-N 1 0 241.444 3.546 20 0 BHADRO FC(F)(F)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421370997 192335612 /nfs/dbraw/zinc/33/56/12/192335612.db2.gz XKHFPNPEYTUROR-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421371042 192335742 /nfs/dbraw/zinc/33/57/42/192335742.db2.gz DQFGLWXFAXNSCL-AVGNSLFASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421371043 192335372 /nfs/dbraw/zinc/33/53/72/192335372.db2.gz DQFGLWXFAXNSCL-RWMBFGLXSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421371044 192335727 /nfs/dbraw/zinc/33/57/27/192335727.db2.gz DQFGLWXFAXNSCL-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421371046 192335911 /nfs/dbraw/zinc/33/59/11/192335911.db2.gz DQFGLWXFAXNSCL-YNEHKIRRSA-N 1 0 241.444 3.544 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421371232 192335406 /nfs/dbraw/zinc/33/54/06/192335406.db2.gz CHFFTXGEKRTTHZ-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421371233 192335516 /nfs/dbraw/zinc/33/55/16/192335516.db2.gz CHFFTXGEKRTTHZ-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421371235 192335492 /nfs/dbraw/zinc/33/54/92/192335492.db2.gz CHFFTXGEKRTTHZ-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421371237 192335027 /nfs/dbraw/zinc/33/50/27/192335027.db2.gz CHFFTXGEKRTTHZ-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO C1C([NH2+][C@@H]2CCCSC2)CC12CCCCC2 ZINC000421371439 192335004 /nfs/dbraw/zinc/33/50/04/192335004.db2.gz XRZMWZZYNIMCKT-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO C1C([NH2+][C@H]2CCCSC2)CC12CCCCC2 ZINC000421371440 192335919 /nfs/dbraw/zinc/33/59/19/192335919.db2.gz XRZMWZZYNIMCKT-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1CC12CCSCC2 ZINC000421371725 192335663 /nfs/dbraw/zinc/33/56/63/192335663.db2.gz DQTXWMBMOPACHO-CYBMUJFWSA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421371727 192335711 /nfs/dbraw/zinc/33/57/11/192335711.db2.gz DQTXWMBMOPACHO-ZDUSSCGKSA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000421371804 192335772 /nfs/dbraw/zinc/33/57/72/192335772.db2.gz DVRYZKFKBKBXAY-DZKIICNBSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000421371805 192335049 /nfs/dbraw/zinc/33/50/49/192335049.db2.gz DVRYZKFKBKBXAY-LZWOXQAQSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000421371806 192335206 /nfs/dbraw/zinc/33/52/06/192335206.db2.gz DVRYZKFKBKBXAY-OFQRWUPVSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000421371807 192335851 /nfs/dbraw/zinc/33/58/51/192335851.db2.gz DVRYZKFKBKBXAY-SQWLQELKSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421372409 192335909 /nfs/dbraw/zinc/33/59/09/192335909.db2.gz FYSFYLPYEFEEIA-CHWSQXEVSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421372815 192335078 /nfs/dbraw/zinc/33/50/78/192335078.db2.gz FYSFYLPYEFEEIA-OLZOCXBDSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421372817 192335200 /nfs/dbraw/zinc/33/52/00/192335200.db2.gz FYSFYLPYEFEEIA-QWHCGFSZSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421372819 192335703 /nfs/dbraw/zinc/33/57/03/192335703.db2.gz FYSFYLPYEFEEIA-STQMWFEESA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000421373668 192322107 /nfs/dbraw/zinc/32/21/07/192322107.db2.gz GVIQVNGATQUILK-DOMZBBRYSA-N 1 0 232.371 3.569 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000421373670 192321151 /nfs/dbraw/zinc/32/11/51/192321151.db2.gz GVIQVNGATQUILK-IUODEOHRSA-N 1 0 232.371 3.569 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000421373672 192322274 /nfs/dbraw/zinc/32/22/74/192322274.db2.gz GVIQVNGATQUILK-SWLSCSKDSA-N 1 0 232.371 3.569 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000421373675 192321368 /nfs/dbraw/zinc/32/13/68/192321368.db2.gz GVIQVNGATQUILK-WFASDCNBSA-N 1 0 232.371 3.569 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC2CCCC2)cc(C)n1 ZINC000421373757 192322280 /nfs/dbraw/zinc/32/22/80/192322280.db2.gz GYKVYLPWDWASJI-GFCCVEGCSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC2CCCC2)cc(C)n1 ZINC000421373759 192321429 /nfs/dbraw/zinc/32/14/29/192321429.db2.gz GYKVYLPWDWASJI-LBPRGKRZSA-N 1 0 246.398 3.757 20 0 BHADRO c1coc([C@@H]2C[C@H]2[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421374045 192321852 /nfs/dbraw/zinc/32/18/52/192321852.db2.gz AWBVFBXLTRNZMT-ZIAGYGMSSA-N 1 0 245.366 3.838 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421374304 192321521 /nfs/dbraw/zinc/32/15/21/192321521.db2.gz HIYMTMXJGYUUQS-HNNXBMFYSA-N 1 0 234.387 3.757 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421374305 192321233 /nfs/dbraw/zinc/32/12/33/192321233.db2.gz HIYMTMXJGYUUQS-OAHLLOKOSA-N 1 0 234.387 3.757 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)C1CCCC1 ZINC000421374769 192322385 /nfs/dbraw/zinc/32/23/85/192322385.db2.gz CCVLAHAQQKMFPL-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)C1CCCC1 ZINC000421374770 192322933 /nfs/dbraw/zinc/32/29/33/192322933.db2.gz CCVLAHAQQKMFPL-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421374901 192322635 /nfs/dbraw/zinc/32/26/35/192322635.db2.gz IBQIWJCXCZIYGV-UHFFFAOYSA-N 1 0 234.387 3.757 20 0 BHADRO c1cc(C[N@@H+]2CC[C@H]2C2CC2)cc(C2CC2)c1 ZINC000421375903 192322647 /nfs/dbraw/zinc/32/26/47/192322647.db2.gz DLDMLJWSIXWJLH-INIZCTEOSA-N 1 0 227.351 3.548 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H]2C2CC2)cc(C2CC2)c1 ZINC000421375904 192322621 /nfs/dbraw/zinc/32/26/21/192322621.db2.gz DLDMLJWSIXWJLH-MRXNPFEDSA-N 1 0 227.351 3.548 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC(C)C)cc(C)n1 ZINC000421376155 192323423 /nfs/dbraw/zinc/32/34/23/192323423.db2.gz IVNSXLRVNKPBBJ-GFCCVEGCSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC(C)C)cc(C)n1 ZINC000421376157 192322577 /nfs/dbraw/zinc/32/25/77/192322577.db2.gz IVNSXLRVNKPBBJ-LBPRGKRZSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C2CCCCC2)cc(C)n1 ZINC000421376188 192322781 /nfs/dbraw/zinc/32/27/81/192322781.db2.gz IYQHRRFBAQCCRD-AWEZNQCLSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C2CCCCC2)cc(C)n1 ZINC000421376189 192323000 /nfs/dbraw/zinc/32/30/00/192323000.db2.gz IYQHRRFBAQCCRD-CQSZACIVSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C[NH2+]C2CC3(C2)CCCCC3)ccn1 ZINC000421376818 192322867 /nfs/dbraw/zinc/32/28/67/192322867.db2.gz FSDPPZFDGIKMBP-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421377041 192322965 /nfs/dbraw/zinc/32/29/65/192322965.db2.gz SSZJFJKWOZXWBR-KGYLQXTDSA-N 1 0 239.309 3.629 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000421377359 192322595 /nfs/dbraw/zinc/32/25/95/192322595.db2.gz JPFSWZBZJIFRAS-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000421377362 192323295 /nfs/dbraw/zinc/32/32/95/192323295.db2.gz JPFSWZBZJIFRAS-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000421377363 192323208 /nfs/dbraw/zinc/32/32/08/192323208.db2.gz JPFSWZBZJIFRAS-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000421377364 192323517 /nfs/dbraw/zinc/32/35/17/192323517.db2.gz JPFSWZBZJIFRAS-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421377538 192322529 /nfs/dbraw/zinc/32/25/29/192322529.db2.gz SSZJFJKWOZXWBR-RAIGVLPGSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421377539 192322742 /nfs/dbraw/zinc/32/27/42/192322742.db2.gz SSZJFJKWOZXWBR-RTXFEEFZSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421377540 192322695 /nfs/dbraw/zinc/32/26/95/192322695.db2.gz SSZJFJKWOZXWBR-WXHSDQCUSA-N 1 0 239.309 3.629 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC2CCCC2)CCO1 ZINC000421378405 192323059 /nfs/dbraw/zinc/32/30/59/192323059.db2.gz IDXSTRRKRXMLDH-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CC2CCCC2)CCO1 ZINC000421378408 192322771 /nfs/dbraw/zinc/32/27/71/192322771.db2.gz IDXSTRRKRXMLDH-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC2CCCC2)CCO1 ZINC000421378411 192323304 /nfs/dbraw/zinc/32/33/04/192323304.db2.gz IDXSTRRKRXMLDH-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC2CCCC2)CCO1 ZINC000421378413 192322553 /nfs/dbraw/zinc/32/25/53/192322553.db2.gz IDXSTRRKRXMLDH-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]C1CC2(C1)CCCCC2)C(F)F ZINC000421378540 192323775 /nfs/dbraw/zinc/32/37/75/192323775.db2.gz HGECXXDSKLWDTA-LLVKDONJSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CC2(C1)CCCCC2)C(F)F ZINC000421378548 192323974 /nfs/dbraw/zinc/32/39/74/192323974.db2.gz HGECXXDSKLWDTA-NSHDSACASA-N 1 0 231.330 3.733 20 0 BHADRO Cc1cc(C[NH2+]C2CCCCCC2)cc(C)n1 ZINC000421378865 192324705 /nfs/dbraw/zinc/32/47/05/192324705.db2.gz KUYUONSOKTVCOS-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000421378920 192323750 /nfs/dbraw/zinc/32/37/50/192323750.db2.gz KYTPDQDMHOUNJC-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000421378926 192324486 /nfs/dbraw/zinc/32/44/86/192324486.db2.gz KYTPDQDMHOUNJC-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CSC1(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421379686 192323796 /nfs/dbraw/zinc/32/37/96/192323796.db2.gz HAPSBXDFHONWTB-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421380164 192324714 /nfs/dbraw/zinc/32/47/14/192324714.db2.gz LVJGUSDSVHPZKI-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421380165 192324470 /nfs/dbraw/zinc/32/44/70/192324470.db2.gz LVJGUSDSVHPZKI-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421380166 192324583 /nfs/dbraw/zinc/32/45/83/192324583.db2.gz LVJGUSDSVHPZKI-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421380167 192323868 /nfs/dbraw/zinc/32/38/68/192323868.db2.gz LVJGUSDSVHPZKI-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CCC3)cc(C)n1 ZINC000421380441 192323629 /nfs/dbraw/zinc/32/36/29/192323629.db2.gz JQHRPJIELWJVBD-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CCC3)cc(C)n1 ZINC000421380443 192324556 /nfs/dbraw/zinc/32/45/56/192324556.db2.gz JQHRPJIELWJVBD-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H](CC(F)F)c1ccccc1)C1CC1 ZINC000421380663 192323746 /nfs/dbraw/zinc/32/37/46/192323746.db2.gz YXBNRHOSVGBQCQ-GWCFXTLKSA-N 1 0 239.309 3.771 20 0 BHADRO C[C@H]([NH2+][C@H](CC(F)F)c1ccccc1)C1CC1 ZINC000421380664 192323823 /nfs/dbraw/zinc/32/38/23/192323823.db2.gz YXBNRHOSVGBQCQ-GXFFZTMASA-N 1 0 239.309 3.771 20 0 BHADRO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)C1CC1 ZINC000421380665 192324210 /nfs/dbraw/zinc/32/42/10/192324210.db2.gz YXBNRHOSVGBQCQ-MFKMUULPSA-N 1 0 239.309 3.771 20 0 BHADRO C[C@@H]([NH2+][C@H](CC(F)F)c1ccccc1)C1CC1 ZINC000421380666 192323884 /nfs/dbraw/zinc/32/38/84/192323884.db2.gz YXBNRHOSVGBQCQ-ZWNOBZJWSA-N 1 0 239.309 3.771 20 0 BHADRO CC1(F)CC([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421380977 192323848 /nfs/dbraw/zinc/32/38/48/192323848.db2.gz KYDKVDKJXDYGLD-UHFFFAOYSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421380981 192324689 /nfs/dbraw/zinc/32/46/89/192324689.db2.gz KZSJFSTWPQQWQM-OLZOCXBDSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421380982 192324473 /nfs/dbraw/zinc/32/44/73/192324473.db2.gz KZSJFSTWPQQWQM-QWHCGFSZSA-N 1 0 225.351 3.580 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CS1 ZINC000421380989 192324354 /nfs/dbraw/zinc/32/43/54/192324354.db2.gz LBCGVCTXWDZTHG-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CS1 ZINC000421380990 192324517 /nfs/dbraw/zinc/32/45/17/192324517.db2.gz LBCGVCTXWDZTHG-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CS1 ZINC000421380992 192323910 /nfs/dbraw/zinc/32/39/10/192323910.db2.gz LBCGVCTXWDZTHG-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CS1 ZINC000421380993 192323610 /nfs/dbraw/zinc/32/36/10/192323610.db2.gz LBCGVCTXWDZTHG-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000421381127 192324495 /nfs/dbraw/zinc/32/44/95/192324495.db2.gz MLSCBVPTGLZYRQ-GFCCVEGCSA-N 1 0 242.366 3.679 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000421381137 192324794 /nfs/dbraw/zinc/32/47/94/192324794.db2.gz MLSCBVPTGLZYRQ-LBPRGKRZSA-N 1 0 242.366 3.679 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421381276 192324099 /nfs/dbraw/zinc/32/40/99/192324099.db2.gz MUSMEPPCJSDHGI-CYBMUJFWSA-N 1 0 241.444 3.546 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421381278 192324663 /nfs/dbraw/zinc/32/46/63/192324663.db2.gz MUSMEPPCJSDHGI-ZDUSSCGKSA-N 1 0 241.444 3.546 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC(C)(C)C)cc(C)n1 ZINC000421382132 192324992 /nfs/dbraw/zinc/32/49/92/192324992.db2.gz LZNHIVOWWDXQIG-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC(C)(C)C)cc(C)n1 ZINC000421382134 192325567 /nfs/dbraw/zinc/32/55/67/192325567.db2.gz LZNHIVOWWDXQIG-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421382171 192325651 /nfs/dbraw/zinc/32/56/51/192325651.db2.gz MAICUUXWVPDQED-CABCVRRESA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421382173 192325217 /nfs/dbraw/zinc/32/52/17/192325217.db2.gz MAICUUXWVPDQED-LSDHHAIUSA-N 1 0 233.330 3.544 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000421382326 192325419 /nfs/dbraw/zinc/32/54/19/192325419.db2.gz MYOBCUPYGNGWDL-LLVKDONJSA-N 1 0 247.338 3.577 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000421382327 192325228 /nfs/dbraw/zinc/32/52/28/192325228.db2.gz MYOBCUPYGNGWDL-NSHDSACASA-N 1 0 247.338 3.577 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421383096 192325402 /nfs/dbraw/zinc/32/54/02/192325402.db2.gz LJKVSAUYRPPXCU-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421383097 192325693 /nfs/dbraw/zinc/32/56/93/192325693.db2.gz LJKVSAUYRPPXCU-BYNSBNAKSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421383098 192325670 /nfs/dbraw/zinc/32/56/70/192325670.db2.gz LJKVSAUYRPPXCU-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421383099 192325880 /nfs/dbraw/zinc/32/58/80/192325880.db2.gz LJKVSAUYRPPXCU-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421383150 192325321 /nfs/dbraw/zinc/32/53/21/192325321.db2.gz NQPMEDJSNOWCRB-CHWSQXEVSA-N 1 0 241.444 3.546 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421383151 192325945 /nfs/dbraw/zinc/32/59/45/192325945.db2.gz NQPMEDJSNOWCRB-OLZOCXBDSA-N 1 0 241.444 3.546 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421383153 192325398 /nfs/dbraw/zinc/32/53/98/192325398.db2.gz NQPMEDJSNOWCRB-QWHCGFSZSA-N 1 0 241.444 3.546 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421383154 192325866 /nfs/dbraw/zinc/32/58/66/192325866.db2.gz NQPMEDJSNOWCRB-STQMWFEESA-N 1 0 241.444 3.546 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000421384027 192326178 /nfs/dbraw/zinc/32/61/78/192326178.db2.gz OOUHITOLCHFJMX-LLVKDONJSA-N 1 0 246.329 3.510 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000421384028 192325788 /nfs/dbraw/zinc/32/57/88/192325788.db2.gz OOUHITOLCHFJMX-NSHDSACASA-N 1 0 246.329 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421385587 192326949 /nfs/dbraw/zinc/32/69/49/192326949.db2.gz QJXLXACSHBEEHK-CYBMUJFWSA-N 1 0 246.398 3.923 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421385589 192326995 /nfs/dbraw/zinc/32/69/95/192326995.db2.gz QJXLXACSHBEEHK-ZDUSSCGKSA-N 1 0 246.398 3.923 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)cc(C)n1 ZINC000421385614 192327282 /nfs/dbraw/zinc/32/72/82/192327282.db2.gz QOMJALIAIZHMJZ-CVEARBPZSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C(C)C)cc(C)n1 ZINC000421385615 192326486 /nfs/dbraw/zinc/32/64/86/192326486.db2.gz QOMJALIAIZHMJZ-HOTGVXAUSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)cc(C)n1 ZINC000421385616 192326615 /nfs/dbraw/zinc/32/66/15/192326615.db2.gz QOMJALIAIZHMJZ-HZPDHXFCSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)cc(C)n1 ZINC000421385617 192326683 /nfs/dbraw/zinc/32/66/83/192326683.db2.gz QOMJALIAIZHMJZ-JKSUJKDBSA-N 1 0 246.398 3.613 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000421386711 192326595 /nfs/dbraw/zinc/32/65/95/192326595.db2.gz RPNLZSFLRDDAHU-JTQLQIEISA-N 1 0 248.395 3.740 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000421386712 192326919 /nfs/dbraw/zinc/32/69/19/192326919.db2.gz RPNLZSFLRDDAHU-SNVBAGLBSA-N 1 0 248.395 3.740 20 0 BHADRO FCC1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421386843 192327218 /nfs/dbraw/zinc/32/72/18/192327218.db2.gz RSJSKQXVFDRIKG-UHFFFAOYSA-N 1 0 247.357 3.746 20 0 BHADRO Cc1ccncc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421387630 192326591 /nfs/dbraw/zinc/32/65/91/192326591.db2.gz UCEPUDYSAIPTSK-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)C(C)C ZINC000421388062 192327047 /nfs/dbraw/zinc/32/70/47/192327047.db2.gz SZKIQOAPGCYSOH-CHWSQXEVSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCCC2)C(C)(F)F ZINC000421388083 192327379 /nfs/dbraw/zinc/32/73/79/192327379.db2.gz UXSVPGVILXLZMT-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCCC2)C(C)(F)F ZINC000421388084 192326622 /nfs/dbraw/zinc/32/66/22/192326622.db2.gz UXSVPGVILXLZMT-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CS[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421388373 192326799 /nfs/dbraw/zinc/32/67/99/192326799.db2.gz VJROPFHBMZBSKT-HNNXBMFYSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421388374 192326869 /nfs/dbraw/zinc/32/68/69/192326869.db2.gz VJROPFHBMZBSKT-OAHLLOKOSA-N 1 0 247.407 3.501 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)C(C)C ZINC000421388463 192327458 /nfs/dbraw/zinc/32/74/58/192327458.db2.gz SZKIQOAPGCYSOH-OLZOCXBDSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C(C)C ZINC000421388464 192327351 /nfs/dbraw/zinc/32/73/51/192327351.db2.gz SZKIQOAPGCYSOH-QWHCGFSZSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C(C)C ZINC000421388465 192326516 /nfs/dbraw/zinc/32/65/16/192326516.db2.gz SZKIQOAPGCYSOH-STQMWFEESA-N 1 0 241.444 3.544 20 0 BHADRO CC(F)(F)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421388821 192327547 /nfs/dbraw/zinc/32/75/47/192327547.db2.gz WGZLEGMFBKKLFF-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC1(F)CC([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421389139 192326857 /nfs/dbraw/zinc/32/68/57/192326857.db2.gz WQQGOCRGFIWRDY-UHFFFAOYSA-N 1 0 225.351 3.580 20 0 BHADRO Cc1cc(C[NH2+]C2CC(C(C)(C)C)C2)cc(C)n1 ZINC000421389147 192326693 /nfs/dbraw/zinc/32/66/93/192326693.db2.gz WTKSASOGRDKKBA-UHFFFAOYSA-N 1 0 246.398 3.613 20 0 BHADRO CC[C@@](C)(C[NH2+]C1CC2(C1)CCCCC2)OC ZINC000421389738 192327430 /nfs/dbraw/zinc/32/74/30/192327430.db2.gz YFEQIZGCZPLINA-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@](C)(C[NH2+]C1CC2(C1)CCCCC2)OC ZINC000421389739 192326759 /nfs/dbraw/zinc/32/67/59/192326759.db2.gz YFEQIZGCZPLINA-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421390259 192327921 /nfs/dbraw/zinc/32/79/21/192327921.db2.gz SFSBIRCWIHGVCW-KBPBESRZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421390261 192327881 /nfs/dbraw/zinc/32/78/81/192327881.db2.gz SFSBIRCWIHGVCW-KGLIPLIRSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421390262 192328191 /nfs/dbraw/zinc/32/81/91/192328191.db2.gz SFSBIRCWIHGVCW-UONOGXRCSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421390264 192328249 /nfs/dbraw/zinc/32/82/49/192328249.db2.gz SFSBIRCWIHGVCW-ZIAGYGMSSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421390455 192328512 /nfs/dbraw/zinc/32/85/12/192328512.db2.gz UWEYPAJPOXIWKI-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421390456 192327762 /nfs/dbraw/zinc/32/77/62/192327762.db2.gz UWEYPAJPOXIWKI-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421390457 192328344 /nfs/dbraw/zinc/32/83/44/192328344.db2.gz UWEYPAJPOXIWKI-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421390458 388029097 /nfs/dbraw/zinc/02/90/97/388029097.db2.gz UWEYPAJPOXIWKI-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CC3)CC2)cc(C)n1 ZINC000421391003 192327895 /nfs/dbraw/zinc/32/78/95/192327895.db2.gz VQGMMKGJTLDJRJ-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO FC(F)C1(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421391144 192327804 /nfs/dbraw/zinc/32/78/04/192327804.db2.gz MVGLXKGXUZGRGL-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(SC)s1 ZINC000421392003 192327773 /nfs/dbraw/zinc/32/77/73/192327773.db2.gz WXJRELSTRGZMQA-SECBINFHSA-N 1 0 229.414 3.606 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(SC)s1 ZINC000421392008 192327662 /nfs/dbraw/zinc/32/76/62/192327662.db2.gz WXJRELSTRGZMQA-VIFPVBQESA-N 1 0 229.414 3.606 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000421392593 192328038 /nfs/dbraw/zinc/32/80/38/192328038.db2.gz XOLQMVCMFFCWNG-JTQLQIEISA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000421392594 192327984 /nfs/dbraw/zinc/32/79/84/192327984.db2.gz XOLQMVCMFFCWNG-SNVBAGLBSA-N 1 0 240.416 3.576 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000421393580 192327829 /nfs/dbraw/zinc/32/78/29/192327829.db2.gz YMCUTRUZCYWPRU-NEPJUHHUSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000421393581 192327723 /nfs/dbraw/zinc/32/77/23/192327723.db2.gz YMCUTRUZCYWPRU-NWDGAFQWSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000421393582 192328021 /nfs/dbraw/zinc/32/80/21/192328021.db2.gz YMCUTRUZCYWPRU-RYUDHWBXSA-N 1 0 225.401 3.705 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000421393583 192327716 /nfs/dbraw/zinc/32/77/16/192327716.db2.gz YMCUTRUZCYWPRU-VXGBXAGGSA-N 1 0 225.401 3.705 20 0 BHADRO CCOC(C)(C)C[NH2+]C1CC2(C1)CCCCC2 ZINC000421396085 192329341 /nfs/dbraw/zinc/32/93/41/192329341.db2.gz QQCYCTFZEXCITD-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccncc1Cl ZINC000421799602 192384126 /nfs/dbraw/zinc/38/41/26/192384126.db2.gz FDKMSHNPJWEUFA-SECBINFHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421799603 192384742 /nfs/dbraw/zinc/38/47/42/192384742.db2.gz FDKMSHNPJWEUFA-VIFPVBQESA-N 1 0 226.751 3.574 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421800617 192384272 /nfs/dbraw/zinc/38/42/72/192384272.db2.gz IBTFJMDZWKHETI-JTQLQIEISA-N 1 0 226.751 3.576 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421800619 192384184 /nfs/dbraw/zinc/38/41/84/192384184.db2.gz IBTFJMDZWKHETI-SNVBAGLBSA-N 1 0 226.751 3.576 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421804269 192384260 /nfs/dbraw/zinc/38/42/60/192384260.db2.gz TZCCFPKBVAFCIM-NXEZZACHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421804271 192384409 /nfs/dbraw/zinc/38/44/09/192384409.db2.gz TZCCFPKBVAFCIM-UWVGGRQHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421804272 192384373 /nfs/dbraw/zinc/38/43/73/192384373.db2.gz TZCCFPKBVAFCIM-VHSXEESVSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421804273 192384764 /nfs/dbraw/zinc/38/47/64/192384764.db2.gz TZCCFPKBVAFCIM-ZJUUUORDSA-N 1 0 241.762 3.798 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccncc1Cl ZINC000421805893 192384225 /nfs/dbraw/zinc/38/42/25/192384225.db2.gz YCGKBDKLJOMSDO-JTQLQIEISA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccncc1Cl ZINC000421805894 192385256 /nfs/dbraw/zinc/38/52/56/192385256.db2.gz YCGKBDKLJOMSDO-SNVBAGLBSA-N 1 0 238.762 3.718 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421822727 398144685 /nfs/dbraw/zinc/14/46/85/398144685.db2.gz BGFAKVGTWIJXAP-AXFHLTTASA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421822728 398144921 /nfs/dbraw/zinc/14/49/21/398144921.db2.gz BGFAKVGTWIJXAP-DCAQKATOSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421822729 398145139 /nfs/dbraw/zinc/14/51/39/398145139.db2.gz BGFAKVGTWIJXAP-GARJFASQSA-N 1 0 240.778 3.820 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421822730 398145478 /nfs/dbraw/zinc/14/54/78/398145478.db2.gz BGFAKVGTWIJXAP-HBNTYKKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421823592 398146161 /nfs/dbraw/zinc/14/61/61/398146161.db2.gz ZYKPUOYJZWXQKI-LLVKDONJSA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421823593 398146271 /nfs/dbraw/zinc/14/62/71/398146271.db2.gz ZYKPUOYJZWXQKI-NSHDSACASA-N 1 0 240.778 3.822 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccncc1Cl ZINC000421824647 192387293 /nfs/dbraw/zinc/38/72/93/192387293.db2.gz JREMWQWRJDNESR-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccncc1Cl ZINC000421824648 192387359 /nfs/dbraw/zinc/38/73/59/192387359.db2.gz JREMWQWRJDNESR-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccncc1Cl ZINC000421827167 192387122 /nfs/dbraw/zinc/38/71/22/192387122.db2.gz WONXAYDREPIQCQ-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccncc1Cl ZINC000421827168 192386510 /nfs/dbraw/zinc/38/65/10/192386510.db2.gz WONXAYDREPIQCQ-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421828699 192387208 /nfs/dbraw/zinc/38/72/08/192387208.db2.gz DWXRZYHWTMBWBC-GHMZBOCLSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421828700 192387184 /nfs/dbraw/zinc/38/71/84/192387184.db2.gz DWXRZYHWTMBWBC-MNOVXSKESA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421828701 192387435 /nfs/dbraw/zinc/38/74/35/192387435.db2.gz DWXRZYHWTMBWBC-QWRGUYRKSA-N 1 0 240.778 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421828702 192386818 /nfs/dbraw/zinc/38/68/18/192386818.db2.gz DWXRZYHWTMBWBC-WDEREUQCSA-N 1 0 240.778 3.678 20 0 BHADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC1 ZINC000421829774 192387092 /nfs/dbraw/zinc/38/70/92/192387092.db2.gz AJIVWHWGGWBHIX-SECBINFHSA-N 1 0 241.737 3.552 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC1 ZINC000421829776 192386837 /nfs/dbraw/zinc/38/68/37/192386837.db2.gz AJIVWHWGGWBHIX-VIFPVBQESA-N 1 0 241.737 3.552 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421829967 192386777 /nfs/dbraw/zinc/38/67/77/192386777.db2.gz AVQMYVZWCBROKY-GHMZBOCLSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421829968 192387403 /nfs/dbraw/zinc/38/74/03/192387403.db2.gz AVQMYVZWCBROKY-MNOVXSKESA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421829969 192386963 /nfs/dbraw/zinc/38/69/63/192386963.db2.gz AVQMYVZWCBROKY-QWRGUYRKSA-N 1 0 240.778 3.820 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421829970 192386973 /nfs/dbraw/zinc/38/69/73/192386973.db2.gz AVQMYVZWCBROKY-WDEREUQCSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccncc1Cl ZINC000421836270 192390882 /nfs/dbraw/zinc/39/08/82/192390882.db2.gz QPUSJNUUNKOPHQ-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421836272 192390843 /nfs/dbraw/zinc/39/08/43/192390843.db2.gz QPUSJNUUNKOPHQ-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccncc1Cl ZINC000421836277 192391480 /nfs/dbraw/zinc/39/14/80/192391480.db2.gz QPUSJNUUNKOPHQ-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421836284 192391327 /nfs/dbraw/zinc/39/13/27/192391327.db2.gz QPUSJNUUNKOPHQ-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421838853 192392162 /nfs/dbraw/zinc/39/21/62/192392162.db2.gz VYMYVKDXOMZHBK-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421838854 192392183 /nfs/dbraw/zinc/39/21/83/192392183.db2.gz VYMYVKDXOMZHBK-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421841510 192392708 /nfs/dbraw/zinc/39/27/08/192392708.db2.gz KQEPXDHLTZYYNS-LLVKDONJSA-N 1 0 238.762 3.742 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421841511 192392301 /nfs/dbraw/zinc/39/23/01/192392301.db2.gz KQEPXDHLTZYYNS-NSHDSACASA-N 1 0 238.762 3.742 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1ccncc1Cl ZINC000421841681 192392320 /nfs/dbraw/zinc/39/23/20/192392320.db2.gz JLNYWVQERCAZTA-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccncc1Cl ZINC000421841682 192392253 /nfs/dbraw/zinc/39/22/53/192392253.db2.gz JLNYWVQERCAZTA-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCC1 ZINC000421842888 192391867 /nfs/dbraw/zinc/39/18/67/192391867.db2.gz LVWQBUOVYDFUPZ-SECBINFHSA-N 1 0 239.746 3.552 20 0 BHADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCC1 ZINC000421842889 192392231 /nfs/dbraw/zinc/39/22/31/192392231.db2.gz LVWQBUOVYDFUPZ-VIFPVBQESA-N 1 0 239.746 3.552 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844290 192393357 /nfs/dbraw/zinc/39/33/57/192393357.db2.gz SXAHQBOHGWMQKK-GMTAPVOTSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844291 192392995 /nfs/dbraw/zinc/39/29/95/192392995.db2.gz SXAHQBOHGWMQKK-MXWKQRLJSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844292 192393420 /nfs/dbraw/zinc/39/34/20/192393420.db2.gz SXAHQBOHGWMQKK-OUAUKWLOSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844293 192393329 /nfs/dbraw/zinc/39/33/29/192393329.db2.gz SXAHQBOHGWMQKK-VWYCJHECSA-N 1 0 238.762 3.574 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccncc1Cl ZINC000421845504 192393273 /nfs/dbraw/zinc/39/32/73/192393273.db2.gz QMEKXKKZUAHKHD-GHMZBOCLSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccncc1Cl ZINC000421845505 192392969 /nfs/dbraw/zinc/39/29/69/192392969.db2.gz QMEKXKKZUAHKHD-MNOVXSKESA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421845506 192393372 /nfs/dbraw/zinc/39/33/72/192393372.db2.gz QMEKXKKZUAHKHD-QWRGUYRKSA-N 1 0 240.778 3.964 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421845507 192393762 /nfs/dbraw/zinc/39/37/62/192393762.db2.gz QMEKXKKZUAHKHD-WDEREUQCSA-N 1 0 240.778 3.964 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421845960 192393152 /nfs/dbraw/zinc/39/31/52/192393152.db2.gz RKISESWNAXJMJS-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421845961 192393047 /nfs/dbraw/zinc/39/30/47/192393047.db2.gz RKISESWNAXJMJS-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccncc1Cl ZINC000421847216 192393717 /nfs/dbraw/zinc/39/37/17/192393717.db2.gz WMENPMZKKZSVRR-GBIKHYSHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccncc1Cl ZINC000421847217 192393246 /nfs/dbraw/zinc/39/32/46/192393246.db2.gz WMENPMZKKZSVRR-KWBADKCTSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccncc1Cl ZINC000421847218 192393668 /nfs/dbraw/zinc/39/36/68/192393668.db2.gz WMENPMZKKZSVRR-NRUUGDAUSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccncc1Cl ZINC000421847219 192393269 /nfs/dbraw/zinc/39/32/69/192393269.db2.gz WMENPMZKKZSVRR-OUJBWJOFSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848149 192393192 /nfs/dbraw/zinc/39/31/92/192393192.db2.gz ADUGUMLQLNBZCU-BXKDBHETSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848154 192393426 /nfs/dbraw/zinc/39/34/26/192393426.db2.gz ADUGUMLQLNBZCU-CABZTGNLSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848155 192392846 /nfs/dbraw/zinc/39/28/46/192392846.db2.gz ADUGUMLQLNBZCU-JOYOIKCWSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848159 192392879 /nfs/dbraw/zinc/39/28/79/192392879.db2.gz ADUGUMLQLNBZCU-SKDRFNHKSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000421848425 192393345 /nfs/dbraw/zinc/39/33/45/192393345.db2.gz AIDPKLMXEMQIHI-CHWSQXEVSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000421848439 192392890 /nfs/dbraw/zinc/39/28/90/192392890.db2.gz AIDPKLMXEMQIHI-OLZOCXBDSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000421848443 192392893 /nfs/dbraw/zinc/39/28/93/192392893.db2.gz AIDPKLMXEMQIHI-QWHCGFSZSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000421848446 192393022 /nfs/dbraw/zinc/39/30/22/192393022.db2.gz AIDPKLMXEMQIHI-STQMWFEESA-N 1 0 242.366 3.932 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc(C)n1 ZINC000421851483 200852037 /nfs/dbraw/zinc/85/20/37/200852037.db2.gz GASPAEMXZUUHHI-CABCVRRESA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc(C)n1 ZINC000421851484 387453726 /nfs/dbraw/zinc/45/37/26/387453726.db2.gz GASPAEMXZUUHHI-GJZGRUSLSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc(C)n1 ZINC000421851485 387453924 /nfs/dbraw/zinc/45/39/24/387453924.db2.gz GASPAEMXZUUHHI-HUUCEWRRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc(C)n1 ZINC000421851486 200852159 /nfs/dbraw/zinc/85/21/59/200852159.db2.gz GASPAEMXZUUHHI-LSDHHAIUSA-N 1 0 246.398 3.613 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421854478 192389245 /nfs/dbraw/zinc/38/92/45/192389245.db2.gz KRASNOJOWRPLJR-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421854479 192389621 /nfs/dbraw/zinc/38/96/21/192389621.db2.gz KRASNOJOWRPLJR-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421854480 192389344 /nfs/dbraw/zinc/38/93/44/192389344.db2.gz KRASNOJOWRPLJR-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421854481 192389327 /nfs/dbraw/zinc/38/93/27/192389327.db2.gz KRASNOJOWRPLJR-YJNKXOJESA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421854617 192389458 /nfs/dbraw/zinc/38/94/58/192389458.db2.gz KYMZVFKBNUDMQG-JTQLQIEISA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421854618 192389564 /nfs/dbraw/zinc/38/95/64/192389564.db2.gz KYMZVFKBNUDMQG-SNVBAGLBSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1ccncc1Cl ZINC000421858210 192390424 /nfs/dbraw/zinc/39/04/24/192390424.db2.gz QXOWBLAVXNTQNQ-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccncc1Cl ZINC000421858211 192390473 /nfs/dbraw/zinc/39/04/73/192390473.db2.gz QXOWBLAVXNTQNQ-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C)nc(C)c1)C1CCC1 ZINC000421858670 192390525 /nfs/dbraw/zinc/39/05/25/192390525.db2.gz QYEBRKAJTBESRV-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)C1CCC1 ZINC000421858671 192390456 /nfs/dbraw/zinc/39/04/56/192390456.db2.gz QYEBRKAJTBESRV-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC23CCCC3)cc(C)n1 ZINC000421859452 387456192 /nfs/dbraw/zinc/45/61/92/387456192.db2.gz RYZDIOPIFXWWAI-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC23CCCC3)cc(C)n1 ZINC000421859453 387456692 /nfs/dbraw/zinc/45/66/92/387456692.db2.gz RYZDIOPIFXWWAI-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421863814 192396319 /nfs/dbraw/zinc/39/63/19/192396319.db2.gz ZBBUCBMXOOYPCD-JTQLQIEISA-N 1 0 240.778 3.822 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421863845 192396498 /nfs/dbraw/zinc/39/64/98/192396498.db2.gz ZBBUCBMXOOYPCD-SNVBAGLBSA-N 1 0 240.778 3.822 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CC)c1cccnc1 ZINC000421867438 192397338 /nfs/dbraw/zinc/39/73/38/192397338.db2.gz CAQAOWABOYRRIH-GXTWGEPZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CC)c1cccnc1 ZINC000421867445 192397167 /nfs/dbraw/zinc/39/71/67/192397167.db2.gz CAQAOWABOYRRIH-JSGCOSHPSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CC)c1cccnc1 ZINC000421867446 192397120 /nfs/dbraw/zinc/39/71/20/192397120.db2.gz CAQAOWABOYRRIH-OCCSQVGLSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CC)c1cccnc1 ZINC000421867447 192397376 /nfs/dbraw/zinc/39/73/76/192397376.db2.gz CAQAOWABOYRRIH-TZMCWYRMSA-N 1 0 220.360 3.559 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2cccs2)cc(C)n1 ZINC000421867768 192396768 /nfs/dbraw/zinc/39/67/68/192396768.db2.gz CGVAMVVANBQMQK-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2cccs2)cc(C)n1 ZINC000421867771 192397285 /nfs/dbraw/zinc/39/72/85/192397285.db2.gz CGVAMVVANBQMQK-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421868882 192396909 /nfs/dbraw/zinc/39/69/09/192396909.db2.gz CVPZDTCXFXGOGL-CMPLNLGQSA-N 1 0 227.298 3.771 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421868883 192397008 /nfs/dbraw/zinc/39/70/08/192397008.db2.gz CVPZDTCXFXGOGL-JQWIXIFHSA-N 1 0 227.298 3.771 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421868884 192397448 /nfs/dbraw/zinc/39/74/48/192397448.db2.gz CVPZDTCXFXGOGL-PWSUYJOCSA-N 1 0 227.298 3.771 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421868885 192397122 /nfs/dbraw/zinc/39/71/22/192397122.db2.gz CVPZDTCXFXGOGL-ZYHUDNBSSA-N 1 0 227.298 3.771 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C(C)(C)C ZINC000421875429 192398615 /nfs/dbraw/zinc/39/86/15/192398615.db2.gz JBBWNSKFRXLNJB-NEPJUHHUSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)C(C)(C)C ZINC000421875435 192398578 /nfs/dbraw/zinc/39/85/78/192398578.db2.gz JBBWNSKFRXLNJB-NWDGAFQWSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C(C)(C)C ZINC000421875437 192398835 /nfs/dbraw/zinc/39/88/35/192398835.db2.gz JBBWNSKFRXLNJB-RYUDHWBXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)C(C)(C)C ZINC000421875438 192398697 /nfs/dbraw/zinc/39/86/97/192398697.db2.gz JBBWNSKFRXLNJB-VXGBXAGGSA-N 1 0 241.444 3.544 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)CC)s1 ZINC000421878087 529729021 /nfs/dbraw/zinc/72/90/21/529729021.db2.gz LPNDUXIHORBLFX-NXEZZACHSA-N 1 0 240.416 3.711 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)CC)s1 ZINC000421878088 529729725 /nfs/dbraw/zinc/72/97/25/529729725.db2.gz LPNDUXIHORBLFX-UWVGGRQHSA-N 1 0 240.416 3.711 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC)s1 ZINC000421878089 529728972 /nfs/dbraw/zinc/72/89/72/529728972.db2.gz LPNDUXIHORBLFX-VHSXEESVSA-N 1 0 240.416 3.711 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)CC)s1 ZINC000421878090 529729789 /nfs/dbraw/zinc/72/97/89/529729789.db2.gz LPNDUXIHORBLFX-ZJUUUORDSA-N 1 0 240.416 3.711 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000421878243 529669309 /nfs/dbraw/zinc/66/93/09/529669309.db2.gz LUQRABMOOWWIFF-GXSJLCMTSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000421878245 529327660 /nfs/dbraw/zinc/32/76/60/529327660.db2.gz LUQRABMOOWWIFF-KOLCDFICSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000421878246 529327834 /nfs/dbraw/zinc/32/78/34/529327834.db2.gz LUQRABMOOWWIFF-MWLCHTKSSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000421878247 529668322 /nfs/dbraw/zinc/66/83/22/529668322.db2.gz LUQRABMOOWWIFF-ONGXEEELSA-N 1 0 209.333 3.593 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878894 206027110 /nfs/dbraw/zinc/02/71/10/206027110.db2.gz MOFPESHGTFSYNT-GXTWGEPZSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878897 206026902 /nfs/dbraw/zinc/02/69/02/206026902.db2.gz MOFPESHGTFSYNT-JSGCOSHPSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878899 206027052 /nfs/dbraw/zinc/02/70/52/206027052.db2.gz MOFPESHGTFSYNT-OCCSQVGLSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878902 206026794 /nfs/dbraw/zinc/02/67/94/206026794.db2.gz MOFPESHGTFSYNT-TZMCWYRMSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000421879158 206026923 /nfs/dbraw/zinc/02/69/23/206026923.db2.gz MVIINHUAZMBMST-CHWSQXEVSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000421879163 206026983 /nfs/dbraw/zinc/02/69/83/206026983.db2.gz MVIINHUAZMBMST-OLZOCXBDSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000421879164 206026996 /nfs/dbraw/zinc/02/69/96/206026996.db2.gz MVIINHUAZMBMST-QWHCGFSZSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000421879166 206026765 /nfs/dbraw/zinc/02/67/65/206026765.db2.gz MVIINHUAZMBMST-STQMWFEESA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000421885327 192399280 /nfs/dbraw/zinc/39/92/80/192399280.db2.gz RFTNFRGTQZCLHS-AVGNSLFASA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000421885329 192399161 /nfs/dbraw/zinc/39/91/61/192399161.db2.gz RFTNFRGTQZCLHS-RWMBFGLXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000421885330 192399138 /nfs/dbraw/zinc/39/91/38/192399138.db2.gz RFTNFRGTQZCLHS-XQQFMLRXSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000421885332 192399042 /nfs/dbraw/zinc/39/90/42/192399042.db2.gz RFTNFRGTQZCLHS-YNEHKIRRSA-N 1 0 215.356 3.541 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000421889767 192394924 /nfs/dbraw/zinc/39/49/24/192394924.db2.gz UUKOPOONMXHQTO-CHWSQXEVSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000421889769 192395498 /nfs/dbraw/zinc/39/54/98/192395498.db2.gz UUKOPOONMXHQTO-OLZOCXBDSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000421889771 192395475 /nfs/dbraw/zinc/39/54/75/192395475.db2.gz UUKOPOONMXHQTO-QWHCGFSZSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000421889774 192394895 /nfs/dbraw/zinc/39/48/95/192394895.db2.gz UUKOPOONMXHQTO-STQMWFEESA-N 1 0 242.366 3.932 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2ccsc2)cc(C)n1 ZINC000421890453 192394884 /nfs/dbraw/zinc/39/48/84/192394884.db2.gz VIOLRNLJMSRPLW-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2ccsc2)cc(C)n1 ZINC000421890456 192395106 /nfs/dbraw/zinc/39/51/06/192395106.db2.gz VIOLRNLJMSRPLW-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000421890899 192395590 /nfs/dbraw/zinc/39/55/90/192395590.db2.gz VNSIAILOKYEYLN-BXUZGUMPSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000421890903 192395039 /nfs/dbraw/zinc/39/50/39/192395039.db2.gz VNSIAILOKYEYLN-FZMZJTMJSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000421890904 192395626 /nfs/dbraw/zinc/39/56/26/192395626.db2.gz VNSIAILOKYEYLN-RISCZKNCSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000421890905 192395432 /nfs/dbraw/zinc/39/54/32/192395432.db2.gz VNSIAILOKYEYLN-SMDDNHRTSA-N 1 0 238.350 3.554 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000421891492 192394816 /nfs/dbraw/zinc/39/48/16/192394816.db2.gz VXILSLGYGNUKAX-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000421891493 192395599 /nfs/dbraw/zinc/39/55/99/192395599.db2.gz VXILSLGYGNUKAX-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000421891494 192395084 /nfs/dbraw/zinc/39/50/84/192395084.db2.gz VXILSLGYGNUKAX-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000421891496 192395179 /nfs/dbraw/zinc/39/51/79/192395179.db2.gz VXILSLGYGNUKAX-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000421892153 387467674 /nfs/dbraw/zinc/46/76/74/387467674.db2.gz WJEBEAODLRMHPL-FVCCEPFGSA-N 1 0 237.412 3.876 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000421892161 387467867 /nfs/dbraw/zinc/46/78/67/387467867.db2.gz WJEBEAODLRMHPL-MROQNXINSA-N 1 0 237.412 3.876 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000421892162 387467880 /nfs/dbraw/zinc/46/78/80/387467880.db2.gz WJEBEAODLRMHPL-QNWHQSFQSA-N 1 0 237.412 3.876 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000421892163 387468107 /nfs/dbraw/zinc/46/81/07/387468107.db2.gz WJEBEAODLRMHPL-ZDEQEGDKSA-N 1 0 237.412 3.876 20 0 BHADRO C[C@H](CCCC[NH3+])Nc1csc2ccccc12 ZINC000423039458 387852819 /nfs/dbraw/zinc/85/28/19/387852819.db2.gz FNSBUQNLFYEFLI-LLVKDONJSA-N 1 0 248.395 3.831 20 0 BHADRO C[C@@H](CCCC[NH3+])Nc1csc2ccccc12 ZINC000423039459 387854149 /nfs/dbraw/zinc/85/41/49/387854149.db2.gz FNSBUQNLFYEFLI-NSHDSACASA-N 1 0 248.395 3.831 20 0 BHADRO C/C=C\c1ccc(N[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423118338 387900969 /nfs/dbraw/zinc/90/09/69/387900969.db2.gz ABKWPVOVTVWKJX-FEIQTHJPSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C\c1ccc(N[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423118339 387901052 /nfs/dbraw/zinc/90/10/52/387901052.db2.gz ABKWPVOVTVWKJX-IHLDYCTFSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C/c1ccc(N[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423118340 387901628 /nfs/dbraw/zinc/90/16/28/387901628.db2.gz ABKWPVOVTVWKJX-JNFNSLLPSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C/c1ccc(N[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423118341 387900458 /nfs/dbraw/zinc/90/04/58/387900458.db2.gz ABKWPVOVTVWKJX-UOYPKJBKSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C\c1ccc(N[C@H](C)CCCC[NH3+])cc1 ZINC000423126212 387904646 /nfs/dbraw/zinc/90/46/46/387904646.db2.gz OKTJSCJOXNKQHX-ACVFHECNSA-N 1 0 232.371 3.649 20 0 BHADRO C/C=C\c1ccc(N[C@@H](C)CCCC[NH3+])cc1 ZINC000423126213 387905028 /nfs/dbraw/zinc/90/50/28/387905028.db2.gz OKTJSCJOXNKQHX-RJNRQISESA-N 1 0 232.371 3.649 20 0 BHADRO C/C=C/c1ccc(N[C@H](C)CCCC[NH3+])cc1 ZINC000423126214 192577580 /nfs/dbraw/zinc/57/75/80/192577580.db2.gz OKTJSCJOXNKQHX-VUUYWXRKSA-N 1 0 232.371 3.649 20 0 BHADRO C/C=C/c1ccc(N[C@@H](C)CCCC[NH3+])cc1 ZINC000423126215 387904450 /nfs/dbraw/zinc/90/44/50/387904450.db2.gz OKTJSCJOXNKQHX-YIALFULDSA-N 1 0 232.371 3.649 20 0 BHADRO C/C=C\c1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000423135028 387912666 /nfs/dbraw/zinc/91/26/66/387912666.db2.gz XSFONIBZNAZPQY-IHWYPQMZSA-N 1 0 244.382 3.649 20 0 BHADRO C/C=C/c1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000423135029 387912193 /nfs/dbraw/zinc/91/21/93/387912193.db2.gz XSFONIBZNAZPQY-NSCUHMNNSA-N 1 0 244.382 3.649 20 0 BHADRO C[C@H](CCCC[NH3+])Nc1cccc(C2CCC2)c1 ZINC000423138360 192582680 /nfs/dbraw/zinc/58/26/80/192582680.db2.gz IZVGFVMCSLSOAJ-CYBMUJFWSA-N 1 0 246.398 3.884 20 0 BHADRO C[C@@H](CCCC[NH3+])Nc1cccc(C2CCC2)c1 ZINC000423138361 387917135 /nfs/dbraw/zinc/91/71/35/387917135.db2.gz IZVGFVMCSLSOAJ-ZDUSSCGKSA-N 1 0 246.398 3.884 20 0 BHADRO C[C@H](Nc1cccc(C2CCC2)c1)[C@H]1CCC[NH2+]1 ZINC000423140979 387918804 /nfs/dbraw/zinc/91/88/04/387918804.db2.gz NKLZIGXPSWOWEN-BLLLJJGKSA-N 1 0 244.382 3.507 20 0 BHADRO C[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000423140980 387918229 /nfs/dbraw/zinc/91/82/29/387918229.db2.gz NKLZIGXPSWOWEN-LRDDRELGSA-N 1 0 244.382 3.507 20 0 BHADRO C[C@@H](Nc1cccc(C2CCC2)c1)[C@H]1CCC[NH2+]1 ZINC000423140981 387918456 /nfs/dbraw/zinc/91/84/56/387918456.db2.gz NKLZIGXPSWOWEN-MLGOLLRUSA-N 1 0 244.382 3.507 20 0 BHADRO C[C@@H](Nc1cccc(C2CCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000423140982 387918475 /nfs/dbraw/zinc/91/84/75/387918475.db2.gz NKLZIGXPSWOWEN-WBMJQRKESA-N 1 0 244.382 3.507 20 0 BHADRO C[C@H](Nc1ccc2c(c1)CCN2)C(C)(C)C ZINC000423211386 387995717 /nfs/dbraw/zinc/99/57/17/387995717.db2.gz HCUXOSZSKJFKBT-JTQLQIEISA-N 1 0 218.344 3.501 20 0 BHADRO C[C@@H](Nc1ccc2c(c1)CCN2)C(C)(C)C ZINC000423211387 387994944 /nfs/dbraw/zinc/99/49/44/387994944.db2.gz HCUXOSZSKJFKBT-SNVBAGLBSA-N 1 0 218.344 3.501 20 0 BHADRO CC1(C)CC[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423211896 387995553 /nfs/dbraw/zinc/99/55/53/387995553.db2.gz HTHNZFWWDGQWIA-CYBMUJFWSA-N 1 0 230.355 3.645 20 0 BHADRO CC1(C)CC[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423211897 387995876 /nfs/dbraw/zinc/99/58/76/387995876.db2.gz HTHNZFWWDGQWIA-ZDUSSCGKSA-N 1 0 230.355 3.645 20 0 BHADRO CC1CCC(Nc2ccc3c(c2)CCN3)CC1 ZINC000423212916 387995576 /nfs/dbraw/zinc/99/55/76/387995576.db2.gz JERUIXIZCHGROX-UHFFFAOYSA-N 1 0 230.355 3.645 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C(C)C ZINC000423339969 387187571 /nfs/dbraw/zinc/18/75/71/387187571.db2.gz BSKUPFDNNSVWAT-CVEARBPZSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C(C)C ZINC000423339979 387188622 /nfs/dbraw/zinc/18/86/22/387188622.db2.gz BSKUPFDNNSVWAT-HOTGVXAUSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C(C)C ZINC000423339981 387188269 /nfs/dbraw/zinc/18/82/69/387188269.db2.gz BSKUPFDNNSVWAT-HZPDHXFCSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C(C)C ZINC000423339983 387188844 /nfs/dbraw/zinc/18/88/44/387188844.db2.gz BSKUPFDNNSVWAT-JKSUJKDBSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C(C)(C)C ZINC000423358093 192730246 /nfs/dbraw/zinc/73/02/46/192730246.db2.gz SXUJRKFATZWSQM-ABAIWWIYSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C(C)(C)C ZINC000423358094 387211304 /nfs/dbraw/zinc/21/13/04/387211304.db2.gz SXUJRKFATZWSQM-IAQYHMDHSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C(C)(C)C ZINC000423358095 387209752 /nfs/dbraw/zinc/20/97/52/387209752.db2.gz SXUJRKFATZWSQM-NHYWBVRUSA-N 1 0 246.398 3.670 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C(C)(C)C ZINC000423358096 387210634 /nfs/dbraw/zinc/21/06/34/387210634.db2.gz SXUJRKFATZWSQM-XHDPSFHLSA-N 1 0 246.398 3.670 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000423410198 387246365 /nfs/dbraw/zinc/24/63/65/387246365.db2.gz CVXHQXHYKFKGMQ-CHWSQXEVSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000423410207 192748046 /nfs/dbraw/zinc/74/80/46/192748046.db2.gz CVXHQXHYKFKGMQ-OLZOCXBDSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000423410209 192748266 /nfs/dbraw/zinc/74/82/66/192748266.db2.gz CVXHQXHYKFKGMQ-QWHCGFSZSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000423410211 387245317 /nfs/dbraw/zinc/24/53/17/387245317.db2.gz CVXHQXHYKFKGMQ-STQMWFEESA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2c1CCCN2)C(C)C ZINC000423417227 387249441 /nfs/dbraw/zinc/24/94/41/387249441.db2.gz SBRUVJMRIRHYKC-HNNXBMFYSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)C(C)C ZINC000423417229 387247449 /nfs/dbraw/zinc/24/74/49/387247449.db2.gz SBRUVJMRIRHYKC-OAHLLOKOSA-N 1 0 246.398 3.569 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)C(C)(C)C ZINC000423418489 387247738 /nfs/dbraw/zinc/24/77/38/387247738.db2.gz UPJQJGYYRRWODT-GFCCVEGCSA-N 1 0 246.398 3.569 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)C(C)(C)C ZINC000423418490 387249277 /nfs/dbraw/zinc/24/92/77/387249277.db2.gz UPJQJGYYRRWODT-LBPRGKRZSA-N 1 0 246.398 3.569 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)C(C)(C)C ZINC000423433955 387287018 /nfs/dbraw/zinc/28/70/18/387287018.db2.gz CQZACANIEDCTAB-GFCCVEGCSA-N 1 0 246.398 3.569 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)C(C)(C)C ZINC000423433956 387287036 /nfs/dbraw/zinc/28/70/36/387287036.db2.gz CQZACANIEDCTAB-LBPRGKRZSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)C(C)C ZINC000423463195 387310421 /nfs/dbraw/zinc/31/04/21/387310421.db2.gz VAQQVPLEWJUQJA-HNNXBMFYSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)C(C)C ZINC000423463196 387310355 /nfs/dbraw/zinc/31/03/55/387310355.db2.gz VAQQVPLEWJUQJA-OAHLLOKOSA-N 1 0 246.398 3.569 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)C1CCCC1 ZINC000423471822 192784866 /nfs/dbraw/zinc/78/48/66/192784866.db2.gz FINVZTGROMXAOU-INIZCTEOSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)C1CCCC1 ZINC000423471824 387320446 /nfs/dbraw/zinc/32/04/46/387320446.db2.gz FINVZTGROMXAOU-MRXNPFEDSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473445 387320474 /nfs/dbraw/zinc/32/04/74/387320474.db2.gz HFCXTIZRZFAIMX-GDBMZVCRSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473446 387319410 /nfs/dbraw/zinc/31/94/10/387319410.db2.gz HFCXTIZRZFAIMX-GOEBONIOSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473447 387319910 /nfs/dbraw/zinc/31/99/10/387319910.db2.gz HFCXTIZRZFAIMX-HOCLYGCPSA-N 1 0 246.398 3.636 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473449 387319072 /nfs/dbraw/zinc/31/90/72/387319072.db2.gz HFCXTIZRZFAIMX-ZBFHGGJFSA-N 1 0 246.398 3.636 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423476244 387322084 /nfs/dbraw/zinc/32/20/84/387322084.db2.gz IVJFLCNVJOLMBJ-AWEZNQCLSA-N 1 0 246.398 3.802 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423476245 387321131 /nfs/dbraw/zinc/32/11/31/387321131.db2.gz IVJFLCNVJOLMBJ-CQSZACIVSA-N 1 0 246.398 3.802 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C)cc(N)c1)C1CCC1 ZINC000423483308 387329209 /nfs/dbraw/zinc/32/92/09/387329209.db2.gz SMBMGRKTMFHSEU-INIZCTEOSA-N 1 0 246.398 3.636 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)C1CCC1 ZINC000423483309 387329742 /nfs/dbraw/zinc/32/97/42/387329742.db2.gz SMBMGRKTMFHSEU-MRXNPFEDSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000423488852 387333368 /nfs/dbraw/zinc/33/33/68/387333368.db2.gz ZHRDUNFFOGNPGF-HNNXBMFYSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000423488854 387334211 /nfs/dbraw/zinc/33/42/11/387334211.db2.gz ZHRDUNFFOGNPGF-OAHLLOKOSA-N 1 0 246.398 3.636 20 0 BHADRO CC(C)n1cncc1C[NH2+]C1(C)CCC(C)CC1 ZINC000424147994 387783492 /nfs/dbraw/zinc/78/34/92/387783492.db2.gz SMEBYFDHZZHNPC-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424180921 387893247 /nfs/dbraw/zinc/89/32/47/387893247.db2.gz PWCWNLXUZOYBSK-AWEZNQCLSA-N 1 0 249.402 3.689 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424180922 387892933 /nfs/dbraw/zinc/89/29/33/387892933.db2.gz PWCWNLXUZOYBSK-CQSZACIVSA-N 1 0 249.402 3.689 20 0 BHADRO Clc1cccc(C[NH2+][C@H]2CC23CC3)c1Cl ZINC000424180954 385108905 /nfs/dbraw/zinc/10/89/05/385108905.db2.gz ABIRAYKNFMPZKC-JTQLQIEISA-N 1 0 242.149 3.636 20 0 BHADRO Clc1cccc(C[NH2+][C@@H]2CC23CC3)c1Cl ZINC000424180959 385109188 /nfs/dbraw/zinc/10/91/88/385109188.db2.gz ABIRAYKNFMPZKC-SNVBAGLBSA-N 1 0 242.149 3.636 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cncn2C(C)C)CC1 ZINC000424181025 387893630 /nfs/dbraw/zinc/89/36/30/387893630.db2.gz QLMNPOOXRHEQPO-HDJSIYSDSA-N 1 0 249.402 3.522 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CC12CC2 ZINC000424181102 200878983 /nfs/dbraw/zinc/87/89/83/200878983.db2.gz AVEJUXLCNBWWSO-BMGYJQCNSA-N 1 0 247.769 3.885 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CC12CC2 ZINC000424181103 385109973 /nfs/dbraw/zinc/10/99/73/385109973.db2.gz AVEJUXLCNBWWSO-KOTGUFOOSA-N 1 0 247.769 3.885 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CC12CC2 ZINC000424181104 385108962 /nfs/dbraw/zinc/10/89/62/385108962.db2.gz AVEJUXLCNBWWSO-MSKHEQNASA-N 1 0 247.769 3.885 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CC12CC2 ZINC000424181105 385109427 /nfs/dbraw/zinc/10/94/27/385109427.db2.gz AVEJUXLCNBWWSO-ZHZWZMEUSA-N 1 0 247.769 3.885 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+][C@@H]1CC12CC2 ZINC000424181227 385110321 /nfs/dbraw/zinc/11/03/21/385110321.db2.gz BDGVYUWKDRBBHY-GFCCVEGCSA-N 1 0 247.725 3.728 20 0 BHADRO Clc1oc2ccccc2c1C[NH2+][C@H]1CC12CC2 ZINC000424181228 200878311 /nfs/dbraw/zinc/87/83/11/200878311.db2.gz BDGVYUWKDRBBHY-LBPRGKRZSA-N 1 0 247.725 3.728 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CC34CC4)oc2cc1C ZINC000424181580 385110079 /nfs/dbraw/zinc/11/00/79/385110079.db2.gz CMDNTPIOLPPTMP-HNNXBMFYSA-N 1 0 241.334 3.692 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CC34CC4)oc2cc1C ZINC000424181581 385110259 /nfs/dbraw/zinc/11/02/59/385110259.db2.gz CMDNTPIOLPPTMP-OAHLLOKOSA-N 1 0 241.334 3.692 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@@H]1CC12CC2 ZINC000424181742 200878723 /nfs/dbraw/zinc/87/87/23/200878723.db2.gz DHNNXURACZPFDY-CYBMUJFWSA-N 1 0 229.348 3.543 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@H]1CC12CC2 ZINC000424181746 385110336 /nfs/dbraw/zinc/11/03/36/385110336.db2.gz DHNNXURACZPFDY-ZDUSSCGKSA-N 1 0 229.348 3.543 20 0 BHADRO C1CC12C[C@H]2[NH2+]C1CCC2(CCCC2)CC1 ZINC000424182758 385111513 /nfs/dbraw/zinc/11/15/13/385111513.db2.gz HMYIGEUHAOWTTK-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@@H]2[NH2+]C1CCC2(CCCC2)CC1 ZINC000424182762 385112709 /nfs/dbraw/zinc/11/27/09/385112709.db2.gz HMYIGEUHAOWTTK-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+][C@@H]1CC12CC2 ZINC000424183155 385111798 /nfs/dbraw/zinc/11/17/98/385111798.db2.gz ILZAKFCWTRKZLN-LLVKDONJSA-N 1 0 242.149 3.636 20 0 BHADRO Clc1cccc(Cl)c1C[NH2+][C@H]1CC12CC2 ZINC000424183156 385112262 /nfs/dbraw/zinc/11/22/62/385112262.db2.gz ILZAKFCWTRKZLN-NSHDSACASA-N 1 0 242.149 3.636 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CC23CC3)c(Cl)c1 ZINC000424183197 385111914 /nfs/dbraw/zinc/11/19/14/385111914.db2.gz ITYRIGPXJRLADN-LLVKDONJSA-N 1 0 242.149 3.636 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC23CC3)c(Cl)c1 ZINC000424183200 385111005 /nfs/dbraw/zinc/11/10/05/385111005.db2.gz ITYRIGPXJRLADN-NSHDSACASA-N 1 0 242.149 3.636 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC12CC2 ZINC000424183220 200880341 /nfs/dbraw/zinc/88/03/41/200880341.db2.gz IWBBAPLVAOVLDQ-CYBMUJFWSA-N 1 0 235.758 3.599 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC12CC2 ZINC000424183223 200880429 /nfs/dbraw/zinc/88/04/29/200880429.db2.gz IWBBAPLVAOVLDQ-ZDUSSCGKSA-N 1 0 235.758 3.599 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CC12CC2 ZINC000424183608 385113042 /nfs/dbraw/zinc/11/30/42/385113042.db2.gz KBPSASAQILJYMK-HNNXBMFYSA-N 1 0 239.318 3.589 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CC12CC2 ZINC000424183609 385112459 /nfs/dbraw/zinc/11/24/59/385112459.db2.gz KBPSASAQILJYMK-OAHLLOKOSA-N 1 0 239.318 3.589 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@H]1CC12CC2 ZINC000424183792 385112534 /nfs/dbraw/zinc/11/25/34/385112534.db2.gz KGPHWRUBBAYWKL-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@@H]1CC12CC2 ZINC000424183795 385112433 /nfs/dbraw/zinc/11/24/33/385112433.db2.gz KGPHWRUBBAYWKL-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424183831 385111114 /nfs/dbraw/zinc/11/11/14/385111114.db2.gz KJQZKXLARASEES-GWCFXTLKSA-N 1 0 235.758 3.586 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424183833 385113074 /nfs/dbraw/zinc/11/30/74/385113074.db2.gz KJQZKXLARASEES-GXFFZTMASA-N 1 0 235.758 3.586 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424183835 385112356 /nfs/dbraw/zinc/11/23/56/385112356.db2.gz KJQZKXLARASEES-MFKMUULPSA-N 1 0 235.758 3.586 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424183836 385112530 /nfs/dbraw/zinc/11/25/30/385112530.db2.gz KJQZKXLARASEES-ZWNOBZJWSA-N 1 0 235.758 3.586 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+][C@@H]1CC12CC2 ZINC000424184254 388695218 /nfs/dbraw/zinc/69/52/18/388695218.db2.gz LWERTUSNNSNDEA-CYBMUJFWSA-N 1 0 235.758 3.545 20 0 BHADRO CCc1cccc(Cl)c1C[NH2+][C@H]1CC12CC2 ZINC000424184256 385112367 /nfs/dbraw/zinc/11/23/67/385112367.db2.gz LWERTUSNNSNDEA-ZDUSSCGKSA-N 1 0 235.758 3.545 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424184489 385112123 /nfs/dbraw/zinc/11/21/23/385112123.db2.gz MJEQBBCPOAUSSH-BXKDBHETSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424184490 385112442 /nfs/dbraw/zinc/11/24/42/385112442.db2.gz MJEQBBCPOAUSSH-CABZTGNLSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424184491 385113575 /nfs/dbraw/zinc/11/35/75/385113575.db2.gz MJEQBBCPOAUSSH-JOYOIKCWSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424184493 384775749 /nfs/dbraw/zinc/77/57/49/384775749.db2.gz MJEQBBCPOAUSSH-SKDRFNHKSA-N 1 0 221.731 3.543 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CC23CC3)cc1Cl ZINC000424184938 200880190 /nfs/dbraw/zinc/88/01/90/200880190.db2.gz OGZTZFMAYXYNMM-NSHDSACASA-N 1 0 242.149 3.636 20 0 BHADRO Clc1cc(C[NH2+][C@@H]2CC23CC3)c(Cl)s1 ZINC000424186303 385100399 /nfs/dbraw/zinc/10/03/99/385100399.db2.gz RRGNVFIRXYPVAA-SSDOTTSWSA-N 1 0 248.178 3.697 20 0 BHADRO Clc1cc(C[NH2+][C@H]2CC23CC3)c(Cl)s1 ZINC000424186305 200882172 /nfs/dbraw/zinc/88/21/72/200882172.db2.gz RRGNVFIRXYPVAA-ZETCQYMHSA-N 1 0 248.178 3.697 20 0 BHADRO Clc1scc(C[NH2+][C@@H]2CC23CC3)c1Cl ZINC000424186388 200882958 /nfs/dbraw/zinc/88/29/58/200882958.db2.gz SGOATCFBQPBXNR-SSDOTTSWSA-N 1 0 248.178 3.697 20 0 BHADRO Clc1scc(C[NH2+][C@H]2CC23CC3)c1Cl ZINC000424186389 385101863 /nfs/dbraw/zinc/10/18/63/385101863.db2.gz SGOATCFBQPBXNR-ZETCQYMHSA-N 1 0 248.178 3.697 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@@H]1CC12CC2 ZINC000424186650 200882547 /nfs/dbraw/zinc/88/25/47/200882547.db2.gz SIULWDYLDJJQAE-CYBMUJFWSA-N 1 0 229.348 3.543 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@H]1CC12CC2 ZINC000424186651 385102119 /nfs/dbraw/zinc/10/21/19/385102119.db2.gz SIULWDYLDJJQAE-ZDUSSCGKSA-N 1 0 229.348 3.543 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424186655 398284368 /nfs/dbraw/zinc/28/43/68/398284368.db2.gz SKGKPLYYMKSHAM-CABCVRRESA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424186656 385101186 /nfs/dbraw/zinc/10/11/86/385101186.db2.gz SKGKPLYYMKSHAM-GJZGRUSLSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424186657 398284461 /nfs/dbraw/zinc/28/44/61/398284461.db2.gz SKGKPLYYMKSHAM-HUUCEWRRSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424186658 398284465 /nfs/dbraw/zinc/28/44/65/398284465.db2.gz SKGKPLYYMKSHAM-LSDHHAIUSA-N 1 0 229.367 3.568 20 0 BHADRO Clc1ccc(Cl)c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000424186971 384781916 /nfs/dbraw/zinc/78/19/16/384781916.db2.gz UDYIJYDUJJNEAQ-LLVKDONJSA-N 1 0 242.149 3.636 20 0 BHADRO Clc1ccc(Cl)c(C[NH2+][C@H]2CC23CC3)c1 ZINC000424186973 200883436 /nfs/dbraw/zinc/88/34/36/200883436.db2.gz UDYIJYDUJJNEAQ-NSHDSACASA-N 1 0 242.149 3.636 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000424186996 385103759 /nfs/dbraw/zinc/10/37/59/385103759.db2.gz UIGSOPDDLBBGRU-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCCCOc1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000424186999 385104265 /nfs/dbraw/zinc/10/42/65/385104265.db2.gz UIGSOPDDLBBGRU-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000424187099 200882350 /nfs/dbraw/zinc/88/23/50/200882350.db2.gz UTNHGXZQWOUQHO-HNNXBMFYSA-N 1 0 227.351 3.596 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000424187100 385103397 /nfs/dbraw/zinc/10/33/97/385103397.db2.gz UTNHGXZQWOUQHO-OAHLLOKOSA-N 1 0 227.351 3.596 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@@H]2CC23CC3)s1 ZINC000424187244 385103359 /nfs/dbraw/zinc/10/33/59/385103359.db2.gz VDKMKXIIGKFJAL-LLVKDONJSA-N 1 0 235.396 3.688 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@H]2CC23CC3)s1 ZINC000424187247 385103150 /nfs/dbraw/zinc/10/31/50/385103150.db2.gz VDKMKXIIGKFJAL-NSHDSACASA-N 1 0 235.396 3.688 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@H]1CC12CC2 ZINC000424187339 385104208 /nfs/dbraw/zinc/10/42/08/385104208.db2.gz VJOKPCCBYKAQQQ-HNNXBMFYSA-N 1 0 241.334 3.637 20 0 BHADRO CCc1oc2ccccc2c1C[NH2+][C@@H]1CC12CC2 ZINC000424187341 385103275 /nfs/dbraw/zinc/10/32/75/385103275.db2.gz VJOKPCCBYKAQQQ-OAHLLOKOSA-N 1 0 241.334 3.637 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC3)c1 ZINC000424187401 385104284 /nfs/dbraw/zinc/10/42/84/385104284.db2.gz VSQTVSGYSWLWPE-LLVKDONJSA-N 1 0 242.149 3.636 20 0 BHADRO Clc1cc(Cl)cc(C[NH2+][C@H]2CC23CC3)c1 ZINC000424187404 385104017 /nfs/dbraw/zinc/10/40/17/385104017.db2.gz VSQTVSGYSWLWPE-NSHDSACASA-N 1 0 242.149 3.636 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC34CC4)C2)cc1 ZINC000424188686 385119371 /nfs/dbraw/zinc/11/93/71/385119371.db2.gz YQAQGXXCYILYTC-ARFHVFGLSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC34CC4)C2)cc1 ZINC000424188687 385119482 /nfs/dbraw/zinc/11/94/82/385119482.db2.gz YQAQGXXCYILYTC-HRCADAONSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC34CC4)C2)cc1 ZINC000424188688 385117760 /nfs/dbraw/zinc/11/77/60/385117760.db2.gz YQAQGXXCYILYTC-JYJNAYRXSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CC34CC4)C2)cc1 ZINC000424188689 385119041 /nfs/dbraw/zinc/11/90/41/385119041.db2.gz YQAQGXXCYILYTC-XHSDSOJGSA-N 1 0 241.378 3.540 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424188710 385120400 /nfs/dbraw/zinc/12/04/00/385120400.db2.gz YUYOAIGUTDKSQV-CABCVRRESA-N 1 0 229.367 3.712 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424188711 385120004 /nfs/dbraw/zinc/12/00/04/385120004.db2.gz YUYOAIGUTDKSQV-GJZGRUSLSA-N 1 0 229.367 3.712 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424188712 385120362 /nfs/dbraw/zinc/12/03/62/385120362.db2.gz YUYOAIGUTDKSQV-HUUCEWRRSA-N 1 0 229.367 3.712 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424188713 385120038 /nfs/dbraw/zinc/12/00/38/385120038.db2.gz YUYOAIGUTDKSQV-LSDHHAIUSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1F ZINC000424189308 387911508 /nfs/dbraw/zinc/91/15/08/387911508.db2.gz DFCNZNCJUHGJDQ-RIEGTJTDSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1F ZINC000424189311 387912105 /nfs/dbraw/zinc/91/21/05/387912105.db2.gz DFCNZNCJUHGJDQ-VZJVUDMVSA-N 1 0 233.330 3.665 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CCCCC1 ZINC000424189707 387912841 /nfs/dbraw/zinc/91/28/41/387912841.db2.gz DTIOWXYKNJXHAE-CABCVRRESA-N 1 0 233.330 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000424189708 387914219 /nfs/dbraw/zinc/91/42/19/387914219.db2.gz DTIOWXYKNJXHAE-GJZGRUSLSA-N 1 0 233.330 3.546 20 0 BHADRO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CCCCC1 ZINC000424189711 200883764 /nfs/dbraw/zinc/88/37/64/200883764.db2.gz DTIOWXYKNJXHAE-HUUCEWRRSA-N 1 0 233.330 3.546 20 0 BHADRO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000424189713 387913795 /nfs/dbraw/zinc/91/37/95/387913795.db2.gz DTIOWXYKNJXHAE-LSDHHAIUSA-N 1 0 233.330 3.546 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000424190970 387915386 /nfs/dbraw/zinc/91/53/86/387915386.db2.gz GWPZBQDCBKZHOP-LUKYLMHMSA-N 1 0 241.378 3.568 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)s1 ZINC000424192524 206035364 /nfs/dbraw/zinc/03/53/64/206035364.db2.gz JCNHUNZHARIJRN-WDEREUQCSA-N 1 0 241.787 3.680 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000424198585 200886741 /nfs/dbraw/zinc/88/67/41/200886741.db2.gz DFEWGANXHKDYHT-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000424198589 200886860 /nfs/dbraw/zinc/88/68/60/200886860.db2.gz DFEWGANXHKDYHT-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424202545 206036441 /nfs/dbraw/zinc/03/64/41/206036441.db2.gz JMKCVKILFBIDCV-CLLJXQQHSA-N 1 0 243.375 3.789 20 0 BHADRO Clc1ccsc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424202986 387929025 /nfs/dbraw/zinc/92/90/25/387929025.db2.gz UCWLGZHXCIMNBD-GXSJLCMTSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1sccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424204264 398174679 /nfs/dbraw/zinc/17/46/79/398174679.db2.gz VEBRZQAVCRBPJW-WDEREUQCSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1csc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000424204938 398175518 /nfs/dbraw/zinc/17/55/18/398175518.db2.gz VUMWQQPLZDFDOI-NWDGAFQWSA-N 1 0 241.787 3.680 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1Cl ZINC000424207547 200889445 /nfs/dbraw/zinc/88/94/45/200889445.db2.gz QIUNFODLBASTQD-CLLJXQQHSA-N 1 0 235.758 3.537 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000424208022 398177620 /nfs/dbraw/zinc/17/76/20/398177620.db2.gz RGVHRTFPZYJVEK-NQNKBUKLSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000424208029 398177479 /nfs/dbraw/zinc/17/74/79/398177479.db2.gz RGVHRTFPZYJVEK-UHDSXZAQSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1 ZINC000424211520 387931489 /nfs/dbraw/zinc/93/14/89/387931489.db2.gz YENGIVZYZXBPGM-DNVSUFBTSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1 ZINC000424211521 387931795 /nfs/dbraw/zinc/93/17/95/387931795.db2.gz YENGIVZYZXBPGM-IKVITTDRSA-N 1 0 249.785 3.832 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000424211790 387931392 /nfs/dbraw/zinc/93/13/92/387931392.db2.gz YRAMFQDYFZJMIF-BTTYYORXSA-N 1 0 247.407 3.687 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424266147 491075515 /nfs/dbraw/zinc/07/55/15/491075515.db2.gz WLNLOLZNISESRJ-NXEZZACHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424266148 491075463 /nfs/dbraw/zinc/07/54/63/491075463.db2.gz WLNLOLZNISESRJ-UWVGGRQHSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424266149 200896009 /nfs/dbraw/zinc/89/60/09/200896009.db2.gz WLNLOLZNISESRJ-VHSXEESVSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424266150 491075512 /nfs/dbraw/zinc/07/55/12/491075512.db2.gz WLNLOLZNISESRJ-ZJUUUORDSA-N 1 0 241.762 3.798 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccncc1 ZINC000424284950 200898679 /nfs/dbraw/zinc/89/86/79/200898679.db2.gz DAKGCACYTGPLLX-HRCADAONSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccncc1 ZINC000424284951 200898201 /nfs/dbraw/zinc/89/82/01/200898201.db2.gz DAKGCACYTGPLLX-JYJNAYRXSA-N 1 0 244.382 3.559 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424288717 387953330 /nfs/dbraw/zinc/95/33/30/387953330.db2.gz JCMPYPSKMOXXKD-UBHSHLNASA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424288718 387953057 /nfs/dbraw/zinc/95/30/57/387953057.db2.gz JCMPYPSKMOXXKD-XBFCOCLRSA-N 1 0 233.355 3.675 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424294994 387956707 /nfs/dbraw/zinc/95/67/07/387956707.db2.gz PJYQSPHCOZUNPY-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424294995 387956584 /nfs/dbraw/zinc/95/65/84/387956584.db2.gz PJYQSPHCOZUNPY-USWWRNFRSA-N 1 0 249.320 3.743 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CCC2)c(Cl)c1 ZINC000424298580 387958733 /nfs/dbraw/zinc/95/87/33/387958733.db2.gz IWPFOPVQSPOFLL-SECBINFHSA-N 1 0 239.746 3.552 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CCC2)c(Cl)c1 ZINC000424298583 387959414 /nfs/dbraw/zinc/95/94/14/387959414.db2.gz IWPFOPVQSPOFLL-VIFPVBQESA-N 1 0 239.746 3.552 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccsc1 ZINC000424300744 387959896 /nfs/dbraw/zinc/95/98/96/387959896.db2.gz URHVPHZRZNXXGU-BPNCWPANSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccsc1 ZINC000424300746 200903165 /nfs/dbraw/zinc/90/31/65/200903165.db2.gz URHVPHZRZNXXGU-SWHYSGLUSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cccs1 ZINC000424303075 387962802 /nfs/dbraw/zinc/96/28/02/387962802.db2.gz YYCUQMUXSAARPB-DRZSPHRISA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cccs1 ZINC000424303076 387961839 /nfs/dbraw/zinc/96/18/39/387961839.db2.gz YYCUQMUXSAARPB-WXHSDQCUSA-N 1 0 235.396 3.835 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CC2 ZINC000424312971 385159250 /nfs/dbraw/zinc/15/92/50/385159250.db2.gz AHQWBDHSVDCQBO-CABCVRRESA-N 1 0 247.357 3.535 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CC2 ZINC000424312972 385156652 /nfs/dbraw/zinc/15/66/52/385156652.db2.gz AHQWBDHSVDCQBO-GJZGRUSLSA-N 1 0 247.357 3.535 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CC2 ZINC000424312973 384908231 /nfs/dbraw/zinc/90/82/31/384908231.db2.gz AHQWBDHSVDCQBO-HUUCEWRRSA-N 1 0 247.357 3.535 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CC2 ZINC000424312974 385158678 /nfs/dbraw/zinc/15/86/78/385158678.db2.gz AHQWBDHSVDCQBO-LSDHHAIUSA-N 1 0 247.357 3.535 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000424313270 385157462 /nfs/dbraw/zinc/15/74/62/385157462.db2.gz AOABUAOEJMTHIQ-BXUZGUMPSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000424313271 385158453 /nfs/dbraw/zinc/15/84/53/385158453.db2.gz AOABUAOEJMTHIQ-FZMZJTMJSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000424313272 385159185 /nfs/dbraw/zinc/15/91/85/385159185.db2.gz AOABUAOEJMTHIQ-RISCZKNCSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000424313273 385157408 /nfs/dbraw/zinc/15/74/08/385157408.db2.gz AOABUAOEJMTHIQ-SMDDNHRTSA-N 1 0 241.334 3.944 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)s1 ZINC000424313278 385157913 /nfs/dbraw/zinc/15/79/13/385157913.db2.gz APFQAYURSFJFGN-BXKDBHETSA-N 1 0 221.369 3.514 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)s1 ZINC000424313279 200907171 /nfs/dbraw/zinc/90/71/71/200907171.db2.gz APFQAYURSFJFGN-CABZTGNLSA-N 1 0 221.369 3.514 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)s1 ZINC000424313280 200907241 /nfs/dbraw/zinc/90/72/41/200907241.db2.gz APFQAYURSFJFGN-JOYOIKCWSA-N 1 0 221.369 3.514 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)s1 ZINC000424313281 385159220 /nfs/dbraw/zinc/15/92/20/385159220.db2.gz APFQAYURSFJFGN-SKDRFNHKSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC12CC2 ZINC000424313342 200906236 /nfs/dbraw/zinc/90/62/36/200906236.db2.gz AYJRZJKYCAVLOP-ABAIWWIYSA-N 1 0 241.334 3.506 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC12CC2 ZINC000424313344 385158053 /nfs/dbraw/zinc/15/80/53/385158053.db2.gz AYJRZJKYCAVLOP-IAQYHMDHSA-N 1 0 241.334 3.506 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC12CC2 ZINC000424313346 200906614 /nfs/dbraw/zinc/90/66/14/200906614.db2.gz AYJRZJKYCAVLOP-NHYWBVRUSA-N 1 0 241.334 3.506 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC12CC2 ZINC000424313348 385156691 /nfs/dbraw/zinc/15/66/91/385156691.db2.gz AYJRZJKYCAVLOP-XHDPSFHLSA-N 1 0 241.334 3.506 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC12CC2 ZINC000424313412 385157022 /nfs/dbraw/zinc/15/70/22/385157022.db2.gz BCSQNPSCIHDQTA-CYBMUJFWSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H]1CC12CC2 ZINC000424313420 200905909 /nfs/dbraw/zinc/90/59/09/200905909.db2.gz BCSQNPSCIHDQTA-ZDUSSCGKSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313797 385159299 /nfs/dbraw/zinc/15/92/99/385159299.db2.gz BQCVYKPYEODAIW-PELKAZGASA-N 1 0 239.721 3.682 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313800 385158741 /nfs/dbraw/zinc/15/87/41/385158741.db2.gz BQCVYKPYEODAIW-PRHODGIISA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313802 385158889 /nfs/dbraw/zinc/15/88/89/385158889.db2.gz BQCVYKPYEODAIW-QPUJVOFHSA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313805 385158904 /nfs/dbraw/zinc/15/89/04/385158904.db2.gz BQCVYKPYEODAIW-UFBFGSQYSA-N 1 0 239.721 3.682 20 0 BHADRO C1CC12C[C@H]2[NH2+][C@@H]1CCCC12CCCCC2 ZINC000424314192 385156492 /nfs/dbraw/zinc/15/64/92/385156492.db2.gz BYDGUYQUXIDKHS-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@@H]2[NH2+][C@@H]1CCCC12CCCCC2 ZINC000424314195 385158872 /nfs/dbraw/zinc/15/88/72/385158872.db2.gz BYDGUYQUXIDKHS-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@H]2[NH2+][C@H]1CCCC12CCCCC2 ZINC000424314199 200906131 /nfs/dbraw/zinc/90/61/31/200906131.db2.gz BYDGUYQUXIDKHS-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@@H]2[NH2+][C@H]1CCCC12CCCCC2 ZINC000424314201 385157039 /nfs/dbraw/zinc/15/70/39/385157039.db2.gz BYDGUYQUXIDKHS-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC12CC2)c1ccsc1 ZINC000424314258 200906532 /nfs/dbraw/zinc/90/65/32/200906532.db2.gz CDOLWNFSZONARW-NEPJUHHUSA-N 1 0 221.369 3.731 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC12CC2)c1ccsc1 ZINC000424314261 385156549 /nfs/dbraw/zinc/15/65/49/385156549.db2.gz CDOLWNFSZONARW-NWDGAFQWSA-N 1 0 221.369 3.731 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC12CC2)c1ccsc1 ZINC000424314262 385158213 /nfs/dbraw/zinc/15/82/13/385158213.db2.gz CDOLWNFSZONARW-RYUDHWBXSA-N 1 0 221.369 3.731 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccsc1 ZINC000424314264 385158093 /nfs/dbraw/zinc/15/80/93/385158093.db2.gz CDOLWNFSZONARW-VXGBXAGGSA-N 1 0 221.369 3.731 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314331 385158780 /nfs/dbraw/zinc/15/87/80/385158780.db2.gz CGTNTQKBVPECKB-CHWSQXEVSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314333 385159097 /nfs/dbraw/zinc/15/90/97/385159097.db2.gz CGTNTQKBVPECKB-OLZOCXBDSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314335 385156421 /nfs/dbraw/zinc/15/64/21/385156421.db2.gz CGTNTQKBVPECKB-QWHCGFSZSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314337 385156598 /nfs/dbraw/zinc/15/65/98/385156598.db2.gz CGTNTQKBVPECKB-STQMWFEESA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314695 385156963 /nfs/dbraw/zinc/15/69/63/385156963.db2.gz CNXHXNHQNRXMJG-PSASIEDQSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314697 385159263 /nfs/dbraw/zinc/15/92/63/385159263.db2.gz CNXHXNHQNRXMJG-SCZZXKLOSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314698 385157099 /nfs/dbraw/zinc/15/70/99/385157099.db2.gz CNXHXNHQNRXMJG-WCBMZHEXSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314699 385158527 /nfs/dbraw/zinc/15/85/27/385158527.db2.gz CNXHXNHQNRXMJG-WPRPVWTQSA-N 1 0 241.787 3.995 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424314733 385156662 /nfs/dbraw/zinc/15/66/62/385156662.db2.gz CTZGXQHFWSALSQ-KBPBESRZSA-N 1 0 215.340 3.526 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424314734 200906556 /nfs/dbraw/zinc/90/65/56/200906556.db2.gz CTZGXQHFWSALSQ-KGLIPLIRSA-N 1 0 215.340 3.526 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424314735 200907380 /nfs/dbraw/zinc/90/73/80/200907380.db2.gz CTZGXQHFWSALSQ-UONOGXRCSA-N 1 0 215.340 3.526 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424314736 200906053 /nfs/dbraw/zinc/90/60/53/200906053.db2.gz CTZGXQHFWSALSQ-ZIAGYGMSSA-N 1 0 215.340 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315304 385159004 /nfs/dbraw/zinc/15/90/04/385159004.db2.gz DPIOIGRSXVXUTM-CHWSQXEVSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315306 385159282 /nfs/dbraw/zinc/15/92/82/385159282.db2.gz DPIOIGRSXVXUTM-OLZOCXBDSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315307 385158253 /nfs/dbraw/zinc/15/82/53/385158253.db2.gz DPIOIGRSXVXUTM-QWHCGFSZSA-N 1 0 237.293 3.558 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315309 385158337 /nfs/dbraw/zinc/15/83/37/385158337.db2.gz DPIOIGRSXVXUTM-STQMWFEESA-N 1 0 237.293 3.558 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424315603 387968445 /nfs/dbraw/zinc/96/84/45/387968445.db2.gz AGTQRGPQWQTXPP-BYCMXARLSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424315604 387967721 /nfs/dbraw/zinc/96/77/21/387967721.db2.gz AGTQRGPQWQTXPP-TUKIKUTGSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c(C)s1 ZINC000424315851 385158727 /nfs/dbraw/zinc/15/87/27/385158727.db2.gz DZLABKFCMOOLRA-BXKDBHETSA-N 1 0 221.369 3.568 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC23CC3)c(C)s1 ZINC000424315853 385160997 /nfs/dbraw/zinc/16/09/97/385160997.db2.gz DZLABKFCMOOLRA-CABZTGNLSA-N 1 0 221.369 3.568 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)c(C)s1 ZINC000424315854 385160253 /nfs/dbraw/zinc/16/02/53/385160253.db2.gz DZLABKFCMOOLRA-JOYOIKCWSA-N 1 0 221.369 3.568 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)c(C)s1 ZINC000424315855 385160815 /nfs/dbraw/zinc/16/08/15/385160815.db2.gz DZLABKFCMOOLRA-SKDRFNHKSA-N 1 0 221.369 3.568 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C(C)C)cc1 ZINC000424315904 385160824 /nfs/dbraw/zinc/16/08/24/385160824.db2.gz FCWDECNKEGNPAA-CABCVRRESA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C(C)C)cc1 ZINC000424315905 200906778 /nfs/dbraw/zinc/90/67/78/200906778.db2.gz FCWDECNKEGNPAA-GJZGRUSLSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C(C)C)cc1 ZINC000424315907 385160318 /nfs/dbraw/zinc/16/03/18/385160318.db2.gz FCWDECNKEGNPAA-HUUCEWRRSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2CC23CC3)C(C)C)cc1 ZINC000424315908 385160854 /nfs/dbraw/zinc/16/08/54/385160854.db2.gz FCWDECNKEGNPAA-LSDHHAIUSA-N 1 0 245.366 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424316392 385161734 /nfs/dbraw/zinc/16/17/34/385161734.db2.gz FOCDCXBCHOKVBI-CHWSQXEVSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424316396 200907174 /nfs/dbraw/zinc/90/71/74/200907174.db2.gz FOCDCXBCHOKVBI-OLZOCXBDSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424316397 385160404 /nfs/dbraw/zinc/16/04/04/385160404.db2.gz FOCDCXBCHOKVBI-QWHCGFSZSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1 ZINC000424316399 385160264 /nfs/dbraw/zinc/16/02/64/385160264.db2.gz FOCDCXBCHOKVBI-STQMWFEESA-N 1 0 235.758 3.933 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424316733 387968134 /nfs/dbraw/zinc/96/81/34/387968134.db2.gz BHBWVMJVHXEXIX-BYCMXARLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424316735 387967029 /nfs/dbraw/zinc/96/70/29/387967029.db2.gz BHBWVMJVHXEXIX-TUKIKUTGSA-N 1 0 249.423 3.847 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CCC2)o1 ZINC000424316864 385161551 /nfs/dbraw/zinc/16/15/51/385161551.db2.gz GAACCQZORLIJHM-KBPBESRZSA-N 1 0 231.339 3.571 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CCC2)o1 ZINC000424316865 385161506 /nfs/dbraw/zinc/16/15/06/385161506.db2.gz GAACCQZORLIJHM-KGLIPLIRSA-N 1 0 231.339 3.571 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CCC2)o1 ZINC000424316866 385160219 /nfs/dbraw/zinc/16/02/19/385160219.db2.gz GAACCQZORLIJHM-UONOGXRCSA-N 1 0 231.339 3.571 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CCC2)o1 ZINC000424316867 385160426 /nfs/dbraw/zinc/16/04/26/385160426.db2.gz GAACCQZORLIJHM-ZIAGYGMSSA-N 1 0 231.339 3.571 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424316880 385161129 /nfs/dbraw/zinc/16/11/29/385161129.db2.gz GBMIROVTWZMNTD-KBPBESRZSA-N 1 0 227.351 3.551 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424316883 385161333 /nfs/dbraw/zinc/16/13/33/385161333.db2.gz GBMIROVTWZMNTD-KGLIPLIRSA-N 1 0 227.351 3.551 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424316885 385160309 /nfs/dbraw/zinc/16/03/09/385160309.db2.gz GBMIROVTWZMNTD-UONOGXRCSA-N 1 0 227.351 3.551 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424316888 200908806 /nfs/dbraw/zinc/90/88/06/200908806.db2.gz GBMIROVTWZMNTD-ZIAGYGMSSA-N 1 0 227.351 3.551 20 0 BHADRO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424316899 200908543 /nfs/dbraw/zinc/90/85/43/200908543.db2.gz GBYLMUUNDKOQRP-ARFHVFGLSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424316901 385161765 /nfs/dbraw/zinc/16/17/65/385161765.db2.gz GBYLMUUNDKOQRP-HRCADAONSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424316903 385161338 /nfs/dbraw/zinc/16/13/38/385161338.db2.gz GBYLMUUNDKOQRP-JYJNAYRXSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424316905 385161457 /nfs/dbraw/zinc/16/14/57/385161457.db2.gz GBYLMUUNDKOQRP-XHSDSOJGSA-N 1 0 241.378 3.855 20 0 BHADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424316913 385160862 /nfs/dbraw/zinc/16/08/62/385160862.db2.gz GCFYUADBWFDRJO-DZGCQCFKSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424316914 200908283 /nfs/dbraw/zinc/90/82/83/200908283.db2.gz GCFYUADBWFDRJO-HIFRSBDPSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424316916 385161020 /nfs/dbraw/zinc/16/10/20/385161020.db2.gz GCFYUADBWFDRJO-UKRRQHHQSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424316918 385160944 /nfs/dbraw/zinc/16/09/44/385160944.db2.gz GCFYUADBWFDRJO-ZFWWWQNUSA-N 1 0 243.394 3.885 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(OC)cc1 ZINC000424316976 385161200 /nfs/dbraw/zinc/16/12/00/385161200.db2.gz GHQDMCQAPPDNFV-CABCVRRESA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(OC)cc1 ZINC000424316978 385160122 /nfs/dbraw/zinc/16/01/22/385160122.db2.gz GHQDMCQAPPDNFV-GJZGRUSLSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(OC)cc1 ZINC000424316980 200908204 /nfs/dbraw/zinc/90/82/04/200908204.db2.gz GHQDMCQAPPDNFV-HUUCEWRRSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(OC)cc1 ZINC000424316982 385160164 /nfs/dbraw/zinc/16/01/64/385160164.db2.gz GHQDMCQAPPDNFV-LSDHHAIUSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccs1 ZINC000424317266 200908125 /nfs/dbraw/zinc/90/81/25/200908125.db2.gz BQFQGPNIWMUWEB-ADEWGFFLSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccs1 ZINC000424317267 387968415 /nfs/dbraw/zinc/96/84/15/387968415.db2.gz BQFQGPNIWMUWEB-ZMLRMANQSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC3)c2sccc21 ZINC000424317492 385161113 /nfs/dbraw/zinc/16/11/13/385161113.db2.gz GPWKZBUBENGDHE-ADEWGFFLSA-N 1 0 233.380 3.829 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CC3)c2sccc21 ZINC000424317531 398286830 /nfs/dbraw/zinc/28/68/30/398286830.db2.gz GPWKZBUBENGDHE-JLLWLGSASA-N 1 0 233.380 3.829 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC3)c2sccc21 ZINC000424317534 398286788 /nfs/dbraw/zinc/28/67/88/398286788.db2.gz GPWKZBUBENGDHE-USWWRNFRSA-N 1 0 233.380 3.829 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC3)c2sccc21 ZINC000424317537 200908220 /nfs/dbraw/zinc/90/82/20/200908220.db2.gz GPWKZBUBENGDHE-YUSALJHKSA-N 1 0 233.380 3.829 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1Cl ZINC000424317825 385160544 /nfs/dbraw/zinc/16/05/44/385160544.db2.gz HAIOUAUXDPPELW-BXKDBHETSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1Cl ZINC000424317827 385160951 /nfs/dbraw/zinc/16/09/51/385160951.db2.gz HAIOUAUXDPPELW-CABZTGNLSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1Cl ZINC000424317830 385160768 /nfs/dbraw/zinc/16/07/68/385160768.db2.gz HAIOUAUXDPPELW-JOYOIKCWSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1Cl ZINC000424317831 385161724 /nfs/dbraw/zinc/16/17/24/385161724.db2.gz HAIOUAUXDPPELW-SKDRFNHKSA-N 1 0 221.731 3.543 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000424318102 200908843 /nfs/dbraw/zinc/90/88/43/200908843.db2.gz CMYMCEGYTXMYEH-KNXALSJPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000424318105 387968472 /nfs/dbraw/zinc/96/84/72/387968472.db2.gz CMYMCEGYTXMYEH-XFBWCDHKSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424318229 200908235 /nfs/dbraw/zinc/90/82/35/200908235.db2.gz HCXFIBWYYFYRJH-CVEARBPZSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424318231 385160178 /nfs/dbraw/zinc/16/01/78/385160178.db2.gz HCXFIBWYYFYRJH-HOTGVXAUSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424318232 200907897 /nfs/dbraw/zinc/90/78/97/200907897.db2.gz HCXFIBWYYFYRJH-HZPDHXFCSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424318233 385161322 /nfs/dbraw/zinc/16/13/22/385161322.db2.gz HCXFIBWYYFYRJH-JKSUJKDBSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc2c(s1)CCCC2 ZINC000424318767 385161271 /nfs/dbraw/zinc/16/12/71/385161271.db2.gz HPOXCPFKZXROGQ-HZMBPMFUSA-N 1 0 247.407 3.830 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc2c(s1)CCCC2 ZINC000424318768 385161642 /nfs/dbraw/zinc/16/16/42/385161642.db2.gz HPOXCPFKZXROGQ-IINYFYTJSA-N 1 0 247.407 3.830 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc2c(s1)CCCC2 ZINC000424318769 385160660 /nfs/dbraw/zinc/16/06/60/385160660.db2.gz HPOXCPFKZXROGQ-QMTHXVAHSA-N 1 0 247.407 3.830 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc2c(s1)CCCC2 ZINC000424318770 385160334 /nfs/dbraw/zinc/16/03/34/385160334.db2.gz HPOXCPFKZXROGQ-YGRLFVJLSA-N 1 0 247.407 3.830 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424318815 385161578 /nfs/dbraw/zinc/16/15/78/385161578.db2.gz HVJNCUJIEDNCLB-CHWSQXEVSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424318817 385160214 /nfs/dbraw/zinc/16/02/14/385160214.db2.gz HVJNCUJIEDNCLB-OLZOCXBDSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424318819 385160739 /nfs/dbraw/zinc/16/07/39/385160739.db2.gz HVJNCUJIEDNCLB-QWHCGFSZSA-N 1 0 235.758 3.933 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424318821 385161757 /nfs/dbraw/zinc/16/17/57/385161757.db2.gz HVJNCUJIEDNCLB-STQMWFEESA-N 1 0 235.758 3.933 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+][C@H]2CC23CC3)C(C)C)cc1 ZINC000424318842 385160702 /nfs/dbraw/zinc/16/07/02/385160702.db2.gz HWZRCGLUTGCLRP-CVEARBPZSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@H]2CC23CC3)C(C)C)cc1 ZINC000424318843 385160182 /nfs/dbraw/zinc/16/01/82/385160182.db2.gz HWZRCGLUTGCLRP-HOTGVXAUSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+][C@@H]2CC23CC3)C(C)C)cc1 ZINC000424318845 385161500 /nfs/dbraw/zinc/16/15/00/385161500.db2.gz HWZRCGLUTGCLRP-HZPDHXFCSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@@H]2CC23CC3)C(C)C)cc1 ZINC000424318847 200908353 /nfs/dbraw/zinc/90/83/53/200908353.db2.gz HWZRCGLUTGCLRP-JKSUJKDBSA-N 1 0 243.394 3.704 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccnc1 ZINC000424319068 387970348 /nfs/dbraw/zinc/97/03/48/387970348.db2.gz DKRSHBPIQQPOCT-ARFHVFGLSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccnc1 ZINC000424319069 387969596 /nfs/dbraw/zinc/96/95/96/387969596.db2.gz DKRSHBPIQQPOCT-HRCADAONSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC23CC3)cc(C)c1F ZINC000424319421 385161468 /nfs/dbraw/zinc/16/14/68/385161468.db2.gz IHYDIDLNRZMFSK-AAEUAGOBSA-N 1 0 233.330 3.646 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc(C)c1F ZINC000424319423 200908026 /nfs/dbraw/zinc/90/80/26/200908026.db2.gz IHYDIDLNRZMFSK-DGCLKSJQSA-N 1 0 233.330 3.646 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)cc(C)c1F ZINC000424319425 385161328 /nfs/dbraw/zinc/16/13/28/385161328.db2.gz IHYDIDLNRZMFSK-WCQYABFASA-N 1 0 233.330 3.646 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)cc(C)c1F ZINC000424319427 385160257 /nfs/dbraw/zinc/16/02/57/385160257.db2.gz IHYDIDLNRZMFSK-YPMHNXCESA-N 1 0 233.330 3.646 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424320071 385160968 /nfs/dbraw/zinc/16/09/68/385160968.db2.gz ISUMJZJEMYAETI-GWCFXTLKSA-N 1 0 233.380 3.612 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424320072 385161464 /nfs/dbraw/zinc/16/14/64/385161464.db2.gz ISUMJZJEMYAETI-GXFFZTMASA-N 1 0 233.380 3.612 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424320073 385161524 /nfs/dbraw/zinc/16/15/24/385161524.db2.gz ISUMJZJEMYAETI-MFKMUULPSA-N 1 0 233.380 3.612 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424320074 200909984 /nfs/dbraw/zinc/90/99/84/200909984.db2.gz ISUMJZJEMYAETI-ZWNOBZJWSA-N 1 0 233.380 3.612 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424320275 200909277 /nfs/dbraw/zinc/90/92/77/200909277.db2.gz FZMZGHZUTPANAR-ADEWGFFLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424320277 387969891 /nfs/dbraw/zinc/96/98/91/387969891.db2.gz FZMZGHZUTPANAR-ZMLRMANQSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccnc1 ZINC000424320661 387970410 /nfs/dbraw/zinc/97/04/10/387970410.db2.gz GDXRMGSXCVKVOR-ARFHVFGLSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccnc1 ZINC000424320664 200910245 /nfs/dbraw/zinc/91/02/45/200910245.db2.gz GDXRMGSXCVKVOR-XHSDSOJGSA-N 1 0 244.382 3.557 20 0 BHADRO Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000424320745 385160276 /nfs/dbraw/zinc/16/02/76/385160276.db2.gz JLYBCLQXNZJUIP-KBPBESRZSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC12CC2 ZINC000424320751 385161782 /nfs/dbraw/zinc/16/17/82/385161782.db2.gz JLYBCLQXNZJUIP-KGLIPLIRSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000424320753 200910334 /nfs/dbraw/zinc/91/03/34/200910334.db2.gz JLYBCLQXNZJUIP-UONOGXRCSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000424320755 385161287 /nfs/dbraw/zinc/16/12/87/385161287.db2.gz JLYBCLQXNZJUIP-ZIAGYGMSSA-N 1 0 247.769 3.860 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccsc1 ZINC000424321164 387969375 /nfs/dbraw/zinc/96/93/75/387969375.db2.gz GUXLVZLIRUAZGC-JIMOISOXSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccsc1 ZINC000424321165 200910088 /nfs/dbraw/zinc/91/00/88/200910088.db2.gz GUXLVZLIRUAZGC-TVYUQYBPSA-N 1 0 221.369 3.587 20 0 BHADRO c1ccc(C2CCC([NH2+][C@H]3CC34CC4)CC2)cc1 ZINC000424321355 385163929 /nfs/dbraw/zinc/16/39/29/385163929.db2.gz KGWCJJGOTQFNOU-GPANFISMSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc(C2CCC([NH2+][C@@H]3CC34CC4)CC2)cc1 ZINC000424321358 385163747 /nfs/dbraw/zinc/16/37/47/385163747.db2.gz KGWCJJGOTQFNOU-UYSNPLJNSA-N 1 0 241.378 3.855 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+][C@H]3CC34CC4)oc2c1 ZINC000424322021 385163600 /nfs/dbraw/zinc/16/36/00/385163600.db2.gz KYBPOYNCTCKXPY-ABAIWWIYSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC34CC4)oc2c1 ZINC000424322023 385163578 /nfs/dbraw/zinc/16/35/78/385163578.db2.gz KYBPOYNCTCKXPY-IAQYHMDHSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+][C@H]3CC34CC4)oc2c1 ZINC000424322025 385163683 /nfs/dbraw/zinc/16/36/83/385163683.db2.gz KYBPOYNCTCKXPY-NHYWBVRUSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC34CC4)oc2c1 ZINC000424322027 385163080 /nfs/dbraw/zinc/16/30/80/385163080.db2.gz KYBPOYNCTCKXPY-XHDPSFHLSA-N 1 0 241.334 3.944 20 0 BHADRO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC12CC2 ZINC000424322545 385163595 /nfs/dbraw/zinc/16/35/95/385163595.db2.gz LFNCBOHQSOBNIR-CABCVRRESA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000424322546 385163620 /nfs/dbraw/zinc/16/36/20/385163620.db2.gz LFNCBOHQSOBNIR-GJZGRUSLSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000424322547 385163623 /nfs/dbraw/zinc/16/36/23/385163623.db2.gz LFNCBOHQSOBNIR-HUUCEWRRSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000424322548 200909252 /nfs/dbraw/zinc/90/92/52/200909252.db2.gz LFNCBOHQSOBNIR-LSDHHAIUSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424322626 200909823 /nfs/dbraw/zinc/90/98/23/200909823.db2.gz IJHVRNXWCMTBBA-DDTOSNHZSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424322629 387971468 /nfs/dbraw/zinc/97/14/68/387971468.db2.gz IJHVRNXWCMTBBA-LEWSCRJBSA-N 1 0 235.396 3.896 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424323215 385164475 /nfs/dbraw/zinc/16/44/75/385164475.db2.gz LNHMFNUREMFLLL-CABCVRRESA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424323217 385163868 /nfs/dbraw/zinc/16/38/68/385163868.db2.gz LNHMFNUREMFLLL-GJZGRUSLSA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424323220 385164540 /nfs/dbraw/zinc/16/45/40/385164540.db2.gz LNHMFNUREMFLLL-HUUCEWRRSA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424323222 385163304 /nfs/dbraw/zinc/16/33/04/385163304.db2.gz LNHMFNUREMFLLL-LSDHHAIUSA-N 1 0 229.367 3.916 20 0 BHADRO c1ccc(C([NH2+][C@H]2CC23CC3)c2ccccc2)cc1 ZINC000424323378 385164447 /nfs/dbraw/zinc/16/44/47/385164447.db2.gz MANSDFXMUWPDND-INIZCTEOSA-N 1 0 249.357 3.918 20 0 BHADRO c1ccc(C([NH2+][C@@H]2CC23CC3)c2ccccc2)cc1 ZINC000424323386 200911224 /nfs/dbraw/zinc/91/12/24/200911224.db2.gz MANSDFXMUWPDND-MRXNPFEDSA-N 1 0 249.357 3.918 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CCCC2)o1 ZINC000424323739 385164392 /nfs/dbraw/zinc/16/43/92/385164392.db2.gz MFWDJYOGBKNBOF-CABCVRRESA-N 1 0 245.366 3.961 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CCCC2)o1 ZINC000424323742 385163693 /nfs/dbraw/zinc/16/36/93/385163693.db2.gz MFWDJYOGBKNBOF-GJZGRUSLSA-N 1 0 245.366 3.961 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CCCC2)o1 ZINC000424323744 385163647 /nfs/dbraw/zinc/16/36/47/385163647.db2.gz MFWDJYOGBKNBOF-HUUCEWRRSA-N 1 0 245.366 3.961 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CCCC2)o1 ZINC000424323747 385162883 /nfs/dbraw/zinc/16/28/83/385162883.db2.gz MFWDJYOGBKNBOF-LSDHHAIUSA-N 1 0 245.366 3.961 20 0 BHADRO CC1(C)[C@H]([NH2+][C@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000424323748 385163117 /nfs/dbraw/zinc/16/31/17/385163117.db2.gz MGFAFKZFOKZVOQ-KFWWJZLASA-N 1 0 241.378 3.711 20 0 BHADRO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000424323749 200911640 /nfs/dbraw/zinc/91/16/40/200911640.db2.gz MGFAFKZFOKZVOQ-RBSFLKMASA-N 1 0 241.378 3.711 20 0 BHADRO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000424323750 385163148 /nfs/dbraw/zinc/16/31/48/385163148.db2.gz MGFAFKZFOKZVOQ-RRFJBIMHSA-N 1 0 241.378 3.711 20 0 BHADRO CC1(C)[C@H]([NH2+][C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000424323751 200912105 /nfs/dbraw/zinc/91/21/05/200912105.db2.gz MGFAFKZFOKZVOQ-ZNMIVQPWSA-N 1 0 241.378 3.711 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000424324375 385166814 /nfs/dbraw/zinc/16/68/14/385166814.db2.gz MUIOAVUGGXHGMZ-DZGCQCFKSA-N 1 0 229.367 3.815 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000424324378 200911995 /nfs/dbraw/zinc/91/19/95/200911995.db2.gz MUIOAVUGGXHGMZ-HIFRSBDPSA-N 1 0 229.367 3.815 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000424324380 385165515 /nfs/dbraw/zinc/16/55/15/385165515.db2.gz MUIOAVUGGXHGMZ-UKRRQHHQSA-N 1 0 229.367 3.815 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000424324383 385165734 /nfs/dbraw/zinc/16/57/34/385165734.db2.gz MUIOAVUGGXHGMZ-ZFWWWQNUSA-N 1 0 229.367 3.815 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424324564 385166417 /nfs/dbraw/zinc/16/64/17/385166417.db2.gz NCOLLRRHBCLWOZ-KBPBESRZSA-N 1 0 215.340 3.670 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424324571 385166047 /nfs/dbraw/zinc/16/60/47/385166047.db2.gz NCOLLRRHBCLWOZ-KGLIPLIRSA-N 1 0 215.340 3.670 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424324573 385166298 /nfs/dbraw/zinc/16/62/98/385166298.db2.gz NCOLLRRHBCLWOZ-UONOGXRCSA-N 1 0 215.340 3.670 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424324576 385166312 /nfs/dbraw/zinc/16/63/12/385166312.db2.gz NCOLLRRHBCLWOZ-ZIAGYGMSSA-N 1 0 215.340 3.670 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000424324596 384932436 /nfs/dbraw/zinc/93/24/36/384932436.db2.gz NDRNGLGXTWORFX-GXTWGEPZSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000424324601 384929879 /nfs/dbraw/zinc/92/98/79/384929879.db2.gz NDRNGLGXTWORFX-JSGCOSHPSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000424324602 385166979 /nfs/dbraw/zinc/16/69/79/385166979.db2.gz NDRNGLGXTWORFX-OCCSQVGLSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000424324603 200911499 /nfs/dbraw/zinc/91/14/99/200911499.db2.gz NDRNGLGXTWORFX-TZMCWYRMSA-N 1 0 215.340 3.507 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424324841 200911984 /nfs/dbraw/zinc/91/19/84/200911984.db2.gz KHBGTJXVCVGNRK-BYNSBNAKSA-N 1 0 239.378 3.683 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424324843 200911457 /nfs/dbraw/zinc/91/14/57/200911457.db2.gz KHBGTJXVCVGNRK-CBBWQLFWSA-N 1 0 239.378 3.683 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424324845 387972716 /nfs/dbraw/zinc/97/27/16/387972716.db2.gz KHBGTJXVCVGNRK-LXTVHRRPSA-N 1 0 239.378 3.683 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424324847 387973462 /nfs/dbraw/zinc/97/34/62/387973462.db2.gz KHBGTJXVCVGNRK-ZQDZILKHSA-N 1 0 239.378 3.683 20 0 BHADRO Clc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CC2)cc1 ZINC000424325060 385166869 /nfs/dbraw/zinc/16/68/69/385166869.db2.gz NKPOOVOURJOOCI-KBPBESRZSA-N 1 0 247.769 3.933 20 0 BHADRO Clc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CC2)cc1 ZINC000424325061 385165648 /nfs/dbraw/zinc/16/56/48/385165648.db2.gz NKPOOVOURJOOCI-KGLIPLIRSA-N 1 0 247.769 3.933 20 0 BHADRO Clc1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CC2)cc1 ZINC000424325062 200910997 /nfs/dbraw/zinc/91/09/97/200910997.db2.gz NKPOOVOURJOOCI-UONOGXRCSA-N 1 0 247.769 3.933 20 0 BHADRO Clc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CC2)cc1 ZINC000424325063 385166101 /nfs/dbraw/zinc/16/61/01/385166101.db2.gz NKPOOVOURJOOCI-ZIAGYGMSSA-N 1 0 247.769 3.933 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(C)cc1 ZINC000424325086 385165597 /nfs/dbraw/zinc/16/55/97/385165597.db2.gz NOQBMNYLLKNYRK-KBPBESRZSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(C)cc1 ZINC000424325087 200912163 /nfs/dbraw/zinc/91/21/63/200912163.db2.gz NOQBMNYLLKNYRK-KGLIPLIRSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(C)cc1 ZINC000424325088 385167298 /nfs/dbraw/zinc/16/72/98/385167298.db2.gz NOQBMNYLLKNYRK-UONOGXRCSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(C)cc1 ZINC000424325089 385166987 /nfs/dbraw/zinc/16/69/87/385166987.db2.gz NOQBMNYLLKNYRK-ZIAGYGMSSA-N 1 0 215.340 3.588 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[NH2+][C@H]1CC12CC2 ZINC000424326219 385166056 /nfs/dbraw/zinc/16/60/56/385166056.db2.gz OPZZLYDSRGEQKB-INIZCTEOSA-N 1 0 247.341 3.899 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CC12CC2 ZINC000424326221 385166483 /nfs/dbraw/zinc/16/64/83/385166483.db2.gz OPZZLYDSRGEQKB-MRXNPFEDSA-N 1 0 247.341 3.899 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC23CC3)c1C ZINC000424326247 385166914 /nfs/dbraw/zinc/16/69/14/385166914.db2.gz ORYKZJKQNJICEU-GXTWGEPZSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC23CC3)c1C ZINC000424326249 385166823 /nfs/dbraw/zinc/16/68/23/385166823.db2.gz ORYKZJKQNJICEU-JSGCOSHPSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC23CC3)c1C ZINC000424326252 385166228 /nfs/dbraw/zinc/16/62/28/385166228.db2.gz ORYKZJKQNJICEU-OCCSQVGLSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1C ZINC000424326254 385165783 /nfs/dbraw/zinc/16/57/83/385165783.db2.gz ORYKZJKQNJICEU-TZMCWYRMSA-N 1 0 215.340 3.507 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424326780 385165368 /nfs/dbraw/zinc/16/53/68/385165368.db2.gz OZLCEWRMLXZOCN-BYCMXARLSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424326781 200912786 /nfs/dbraw/zinc/91/27/86/200912786.db2.gz OZLCEWRMLXZOCN-DFBGVHRSSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424326782 385166237 /nfs/dbraw/zinc/16/62/37/385166237.db2.gz OZLCEWRMLXZOCN-KCPJHIHWSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424326783 385166745 /nfs/dbraw/zinc/16/67/45/385166745.db2.gz OZLCEWRMLXZOCN-UGFHNGPFSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1 ZINC000424326912 387973794 /nfs/dbraw/zinc/97/37/94/387973794.db2.gz MFLQDEFNQFPPGG-NZVBXONLSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1 ZINC000424326914 200912900 /nfs/dbraw/zinc/91/29/00/200912900.db2.gz MFLQDEFNQFPPGG-WKPIXPDZSA-N 1 0 233.330 3.665 20 0 BHADRO C1CC12C[C@H]2[NH2+][C@@H]1CCCCC12CCCC2 ZINC000424327397 200913032 /nfs/dbraw/zinc/91/30/32/200913032.db2.gz PUUHTCCUBJTCBG-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@@H]2[NH2+][C@@H]1CCCCC12CCCC2 ZINC000424327398 385167123 /nfs/dbraw/zinc/16/71/23/385167123.db2.gz PUUHTCCUBJTCBG-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@H]2[NH2+][C@H]1CCCCC12CCCC2 ZINC000424327399 385166130 /nfs/dbraw/zinc/16/61/30/385166130.db2.gz PUUHTCCUBJTCBG-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12C[C@@H]2[NH2+][C@H]1CCCCC12CCCC2 ZINC000424327400 200913358 /nfs/dbraw/zinc/91/33/58/200913358.db2.gz PUUHTCCUBJTCBG-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C)c1 ZINC000424327401 385167117 /nfs/dbraw/zinc/16/71/17/385167117.db2.gz PUVFLBFQDRUBCU-KBPBESRZSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(C)c1 ZINC000424327402 385165342 /nfs/dbraw/zinc/16/53/42/385165342.db2.gz PUVFLBFQDRUBCU-KGLIPLIRSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C)c1 ZINC000424327403 385167047 /nfs/dbraw/zinc/16/70/47/385167047.db2.gz PUVFLBFQDRUBCU-UONOGXRCSA-N 1 0 215.340 3.588 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(C)c1 ZINC000424327404 385165887 /nfs/dbraw/zinc/16/58/87/385165887.db2.gz PUVFLBFQDRUBCU-ZIAGYGMSSA-N 1 0 215.340 3.588 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000424327885 385165759 /nfs/dbraw/zinc/16/57/59/385165759.db2.gz QEYCHXKJQQRYNX-GXTWGEPZSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC23CC3)c1 ZINC000424327886 385167125 /nfs/dbraw/zinc/16/71/25/385167125.db2.gz QEYCHXKJQQRYNX-JSGCOSHPSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC23CC3)c1 ZINC000424327888 200913207 /nfs/dbraw/zinc/91/32/07/200913207.db2.gz QEYCHXKJQQRYNX-OCCSQVGLSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000424327890 385167120 /nfs/dbraw/zinc/16/71/20/385167120.db2.gz QEYCHXKJQQRYNX-TZMCWYRMSA-N 1 0 215.340 3.507 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(C2CC2)c1 ZINC000424327905 385166698 /nfs/dbraw/zinc/16/66/98/385166698.db2.gz QFTHQGBFYRMKRD-ABAIWWIYSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(C2CC2)c1 ZINC000424327906 385165920 /nfs/dbraw/zinc/16/59/20/385165920.db2.gz QFTHQGBFYRMKRD-IAQYHMDHSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C2CC2)c1 ZINC000424327909 200912625 /nfs/dbraw/zinc/91/26/25/200912625.db2.gz QFTHQGBFYRMKRD-NHYWBVRUSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C2CC2)c1 ZINC000424327911 385165422 /nfs/dbraw/zinc/16/54/22/385165422.db2.gz QFTHQGBFYRMKRD-XHDPSFHLSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424327913 385167061 /nfs/dbraw/zinc/16/70/61/385167061.db2.gz QIFZNMIIWZUAJR-KMUNFCNLSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424327914 385166607 /nfs/dbraw/zinc/16/66/07/385166607.db2.gz QIFZNMIIWZUAJR-ONERCXAPSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424327916 385166218 /nfs/dbraw/zinc/16/62/18/385166218.db2.gz QIFZNMIIWZUAJR-VCTAVGKDSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424327919 200913485 /nfs/dbraw/zinc/91/34/85/200913485.db2.gz QIFZNMIIWZUAJR-WKPIXPDZSA-N 1 0 245.341 3.591 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000424328023 359728682 /nfs/dbraw/zinc/72/86/82/359728682.db2.gz NQPYCZWYQQWYRO-KNXALSJPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000424328024 359728337 /nfs/dbraw/zinc/72/83/37/359728337.db2.gz NQPYCZWYQQWYRO-XFBWCDHKSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000424328427 206037125 /nfs/dbraw/zinc/03/71/25/206037125.db2.gz QUOSZBWDMGLJQV-AVGNSLFASA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000424328428 206037307 /nfs/dbraw/zinc/03/73/07/206037307.db2.gz QUOSZBWDMGLJQV-RWMBFGLXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000424328429 206037201 /nfs/dbraw/zinc/03/72/01/206037201.db2.gz QUOSZBWDMGLJQV-XQQFMLRXSA-N 1 0 209.377 3.589 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000424328430 206037644 /nfs/dbraw/zinc/03/76/44/206037644.db2.gz QUOSZBWDMGLJQV-YNEHKIRRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328993 206036983 /nfs/dbraw/zinc/03/69/83/206036983.db2.gz RLHKQDOHNPZMNC-PELKAZGASA-N 1 0 239.721 3.682 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328995 206037727 /nfs/dbraw/zinc/03/77/27/206037727.db2.gz RLHKQDOHNPZMNC-PRHODGIISA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328997 206037735 /nfs/dbraw/zinc/03/77/35/206037735.db2.gz RLHKQDOHNPZMNC-QPUJVOFHSA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328999 206037158 /nfs/dbraw/zinc/03/71/58/206037158.db2.gz RLHKQDOHNPZMNC-UFBFGSQYSA-N 1 0 239.721 3.682 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424329403 200913773 /nfs/dbraw/zinc/91/37/73/200913773.db2.gz RQRKYAKRAPNYGM-DOMZBBRYSA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424329404 200914943 /nfs/dbraw/zinc/91/49/43/200914943.db2.gz RQRKYAKRAPNYGM-IUODEOHRSA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424329405 385165433 /nfs/dbraw/zinc/16/54/33/385165433.db2.gz RQRKYAKRAPNYGM-SWLSCSKDSA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424329407 200914009 /nfs/dbraw/zinc/91/40/09/200914009.db2.gz RQRKYAKRAPNYGM-WFASDCNBSA-N 1 0 245.366 3.677 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424329562 387975295 /nfs/dbraw/zinc/97/52/95/387975295.db2.gz PMNWQULOIRJQFW-KGYLQXTDSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424329564 387974514 /nfs/dbraw/zinc/97/45/14/387974514.db2.gz PMNWQULOIRJQFW-WCFLWFBJSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC12CC2 ZINC000424329781 385170292 /nfs/dbraw/zinc/17/02/92/385170292.db2.gz SKZZFZOSPICOQR-BNOWGMLFSA-N 1 0 227.351 3.685 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000424329782 385169425 /nfs/dbraw/zinc/16/94/25/385169425.db2.gz SKZZFZOSPICOQR-KWCYVHTRSA-N 1 0 227.351 3.685 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000424329783 384942929 /nfs/dbraw/zinc/94/29/29/384942929.db2.gz SKZZFZOSPICOQR-MRVWCRGKSA-N 1 0 227.351 3.685 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000424329784 384941468 /nfs/dbraw/zinc/94/14/68/384941468.db2.gz SKZZFZOSPICOQR-XBFCOCLRSA-N 1 0 227.351 3.685 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CC2)cc1 ZINC000424330200 200915213 /nfs/dbraw/zinc/91/52/13/200915213.db2.gz SYYMXKSUDJUKDW-CABCVRRESA-N 1 0 227.351 3.588 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CC2)cc1 ZINC000424330202 385169069 /nfs/dbraw/zinc/16/90/69/385169069.db2.gz SYYMXKSUDJUKDW-GJZGRUSLSA-N 1 0 227.351 3.588 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CC2)cc1 ZINC000424330205 385169216 /nfs/dbraw/zinc/16/92/16/385169216.db2.gz SYYMXKSUDJUKDW-HUUCEWRRSA-N 1 0 227.351 3.588 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CC2)cc1 ZINC000424330207 385169082 /nfs/dbraw/zinc/16/90/82/385169082.db2.gz SYYMXKSUDJUKDW-LSDHHAIUSA-N 1 0 227.351 3.588 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424330251 200914844 /nfs/dbraw/zinc/91/48/44/200914844.db2.gz TVBXHYPASJRAIX-ARFHVFGLSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424330253 385169771 /nfs/dbraw/zinc/16/97/71/385169771.db2.gz TVBXHYPASJRAIX-HRCADAONSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424330255 385170446 /nfs/dbraw/zinc/17/04/46/385170446.db2.gz TVBXHYPASJRAIX-JYJNAYRXSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424330256 385169619 /nfs/dbraw/zinc/16/96/19/385169619.db2.gz TVBXHYPASJRAIX-XHSDSOJGSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3C[C@H]3C3CCC3)C2)cc1 ZINC000424330389 387975805 /nfs/dbraw/zinc/97/58/05/387975805.db2.gz QLHCVCSKGCHVJG-SJJHQCBESA-N 1 0 241.378 3.711 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424330515 387975510 /nfs/dbraw/zinc/97/55/10/387975510.db2.gz QXGLADXEGDDSKF-CWRNSKLLSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424330516 200914195 /nfs/dbraw/zinc/91/41/95/200914195.db2.gz QXGLADXEGDDSKF-NUEKZKHPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330661 385169350 /nfs/dbraw/zinc/16/93/50/385169350.db2.gz ULKLKYWGNLHIBO-HZMBPMFUSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330663 385168696 /nfs/dbraw/zinc/16/86/96/385168696.db2.gz ULKLKYWGNLHIBO-IINYFYTJSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330665 385170001 /nfs/dbraw/zinc/17/00/01/385170001.db2.gz ULKLKYWGNLHIBO-QMTHXVAHSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330667 385170014 /nfs/dbraw/zinc/17/00/14/385170014.db2.gz ULKLKYWGNLHIBO-YGRLFVJLSA-N 1 0 227.307 3.636 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424331080 200913809 /nfs/dbraw/zinc/91/38/09/200913809.db2.gz UXKZWBUHCAAMKG-ARFHVFGLSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424331088 385169416 /nfs/dbraw/zinc/16/94/16/385169416.db2.gz UXKZWBUHCAAMKG-HRCADAONSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424331089 385169363 /nfs/dbraw/zinc/16/93/63/385169363.db2.gz UXKZWBUHCAAMKG-JYJNAYRXSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424331091 200914897 /nfs/dbraw/zinc/91/48/97/200914897.db2.gz UXKZWBUHCAAMKG-XHSDSOJGSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000424331104 385169775 /nfs/dbraw/zinc/16/97/75/385169775.db2.gz UYQYEAFAZXHPMB-GXTWGEPZSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC23CC3)c1 ZINC000424331105 200914749 /nfs/dbraw/zinc/91/47/49/200914749.db2.gz UYQYEAFAZXHPMB-JSGCOSHPSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC23CC3)c1 ZINC000424331106 200914335 /nfs/dbraw/zinc/91/43/35/200914335.db2.gz UYQYEAFAZXHPMB-OCCSQVGLSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000424331107 385169169 /nfs/dbraw/zinc/16/91/69/385169169.db2.gz UYQYEAFAZXHPMB-TZMCWYRMSA-N 1 0 215.340 3.507 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331120 385168302 /nfs/dbraw/zinc/16/83/02/385168302.db2.gz VCJGIZRVTGEITI-DZGCQCFKSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331121 385168736 /nfs/dbraw/zinc/16/87/36/385168736.db2.gz VCJGIZRVTGEITI-HIFRSBDPSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331122 385168832 /nfs/dbraw/zinc/16/88/32/385168832.db2.gz VCJGIZRVTGEITI-UKRRQHHQSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331123 385169809 /nfs/dbraw/zinc/16/98/09/385169809.db2.gz VCJGIZRVTGEITI-ZFWWWQNUSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)c(C)c1 ZINC000424331552 200914709 /nfs/dbraw/zinc/91/47/09/200914709.db2.gz VGPSZIYZKIZRSZ-GXTWGEPZSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)c(C)c1 ZINC000424331553 385168214 /nfs/dbraw/zinc/16/82/14/385168214.db2.gz VGPSZIYZKIZRSZ-JSGCOSHPSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)c(C)c1 ZINC000424331554 385169446 /nfs/dbraw/zinc/16/94/46/385169446.db2.gz VGPSZIYZKIZRSZ-OCCSQVGLSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)c(C)c1 ZINC000424331555 385168904 /nfs/dbraw/zinc/16/89/04/385168904.db2.gz VGPSZIYZKIZRSZ-TZMCWYRMSA-N 1 0 215.340 3.507 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000424331564 385169627 /nfs/dbraw/zinc/16/96/27/385169627.db2.gz VIFCYRQLAKVMAI-CABCVRRESA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000424331565 385170231 /nfs/dbraw/zinc/17/02/31/385170231.db2.gz VIFCYRQLAKVMAI-GJZGRUSLSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000424331566 384944846 /nfs/dbraw/zinc/94/48/46/384944846.db2.gz VIFCYRQLAKVMAI-HUUCEWRRSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000424331567 385168614 /nfs/dbraw/zinc/16/86/14/385168614.db2.gz VIFCYRQLAKVMAI-LSDHHAIUSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CCC2)cc1 ZINC000424331642 385169584 /nfs/dbraw/zinc/16/95/84/385169584.db2.gz VQTMIOBQXOLATF-CVEARBPZSA-N 1 0 241.378 3.978 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CCC2)cc1 ZINC000424331643 385168765 /nfs/dbraw/zinc/16/87/65/385168765.db2.gz VQTMIOBQXOLATF-HOTGVXAUSA-N 1 0 241.378 3.978 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CCC2)cc1 ZINC000424331644 385169141 /nfs/dbraw/zinc/16/91/41/385169141.db2.gz VQTMIOBQXOLATF-HZPDHXFCSA-N 1 0 241.378 3.978 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CCC2)cc1 ZINC000424331645 385168619 /nfs/dbraw/zinc/16/86/19/385168619.db2.gz VQTMIOBQXOLATF-JKSUJKDBSA-N 1 0 241.378 3.978 20 0 BHADRO Cc1cc([C@@H]([NH2+][C@@H]2CC23CC3)C2CC2)ccc1F ZINC000424332073 200914006 /nfs/dbraw/zinc/91/40/06/200914006.db2.gz VSHMEHJSZRYQKO-CABCVRRESA-N 1 0 245.341 3.727 20 0 BHADRO Cc1cc([C@@H]([NH2+][C@H]2CC23CC3)C2CC2)ccc1F ZINC000424332077 385168283 /nfs/dbraw/zinc/16/82/83/385168283.db2.gz VSHMEHJSZRYQKO-GJZGRUSLSA-N 1 0 245.341 3.727 20 0 BHADRO Cc1cc([C@H]([NH2+][C@@H]2CC23CC3)C2CC2)ccc1F ZINC000424332078 385169408 /nfs/dbraw/zinc/16/94/08/385169408.db2.gz VSHMEHJSZRYQKO-HUUCEWRRSA-N 1 0 245.341 3.727 20 0 BHADRO Cc1cc([C@H]([NH2+][C@H]2CC23CC3)C2CC2)ccc1F ZINC000424332081 385169398 /nfs/dbraw/zinc/16/93/98/385169398.db2.gz VSHMEHJSZRYQKO-LSDHHAIUSA-N 1 0 245.341 3.727 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC23CC3)C1 ZINC000424332446 385148011 /nfs/dbraw/zinc/14/80/11/385148011.db2.gz WJYDJLCTAICBAJ-JYJNAYRXSA-N 1 0 241.378 3.639 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CC23CC3)C1 ZINC000424332447 388695694 /nfs/dbraw/zinc/69/56/94/388695694.db2.gz WJYDJLCTAICBAJ-OAGGEKHMSA-N 1 0 241.378 3.639 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CC23CC3)C1 ZINC000424332448 385149031 /nfs/dbraw/zinc/14/90/31/385149031.db2.gz WJYDJLCTAICBAJ-PMPSAXMXSA-N 1 0 241.378 3.639 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC23CC3)C1 ZINC000424332450 200916737 /nfs/dbraw/zinc/91/67/37/200916737.db2.gz WJYDJLCTAICBAJ-XHSDSOJGSA-N 1 0 241.378 3.639 20 0 BHADRO Clc1cccc(C2CC([NH2+][C@H]3CC34CC4)C2)c1 ZINC000424332524 385149500 /nfs/dbraw/zinc/14/95/00/385149500.db2.gz WSTJUNSPZUZCDB-UBHUBRDASA-N 1 0 247.769 3.728 20 0 BHADRO Clc1cccc(C2CC([NH2+][C@@H]3CC34CC4)C2)c1 ZINC000424332526 385148885 /nfs/dbraw/zinc/14/88/85/385148885.db2.gz WSTJUNSPZUZCDB-UXUKBGGZSA-N 1 0 247.769 3.728 20 0 BHADRO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424332620 385149428 /nfs/dbraw/zinc/14/94/28/385149428.db2.gz WZORJWAISOIOEL-CVEARBPZSA-N 1 0 243.394 3.930 20 0 BHADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424332623 384949253 /nfs/dbraw/zinc/94/92/53/384949253.db2.gz WZORJWAISOIOEL-HOTGVXAUSA-N 1 0 243.394 3.930 20 0 BHADRO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424332624 200916586 /nfs/dbraw/zinc/91/65/86/200916586.db2.gz WZORJWAISOIOEL-HZPDHXFCSA-N 1 0 243.394 3.930 20 0 BHADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424332625 385148529 /nfs/dbraw/zinc/14/85/29/385148529.db2.gz WZORJWAISOIOEL-JKSUJKDBSA-N 1 0 243.394 3.930 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424333489 387977215 /nfs/dbraw/zinc/97/72/15/387977215.db2.gz UKFAMBUJORQJKS-IFWUJCSASA-N 1 0 243.341 3.589 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000424333511 387977522 /nfs/dbraw/zinc/97/75/22/387977522.db2.gz XRUREGYJHAFWQS-DZKIICNBSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000424333513 387976578 /nfs/dbraw/zinc/97/65/78/387976578.db2.gz XRUREGYJHAFWQS-FMKPAKJESA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000424333516 387977159 /nfs/dbraw/zinc/97/71/59/387977159.db2.gz XRUREGYJHAFWQS-LZWOXQAQSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000424333518 387977001 /nfs/dbraw/zinc/97/70/01/387977001.db2.gz XRUREGYJHAFWQS-YCPHGPKFSA-N 1 0 245.341 3.546 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424333556 385147962 /nfs/dbraw/zinc/14/79/62/385147962.db2.gz XTYKRDBLGQZEMX-DOMZBBRYSA-N 1 0 245.366 3.679 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424333558 385148837 /nfs/dbraw/zinc/14/88/37/385148837.db2.gz XTYKRDBLGQZEMX-IUODEOHRSA-N 1 0 245.366 3.679 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424333559 385149380 /nfs/dbraw/zinc/14/93/80/385149380.db2.gz XTYKRDBLGQZEMX-SWLSCSKDSA-N 1 0 245.366 3.679 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424333562 385148551 /nfs/dbraw/zinc/14/85/51/385148551.db2.gz XTYKRDBLGQZEMX-WFASDCNBSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424333581 385148117 /nfs/dbraw/zinc/14/81/17/385148117.db2.gz XVOJEZYSLJJMHT-CABCVRRESA-N 1 0 229.367 3.540 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000424333584 385148540 /nfs/dbraw/zinc/14/85/40/385148540.db2.gz XVOJEZYSLJJMHT-GJZGRUSLSA-N 1 0 229.367 3.540 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424333586 385148918 /nfs/dbraw/zinc/14/89/18/385148918.db2.gz XVOJEZYSLJJMHT-HUUCEWRRSA-N 1 0 229.367 3.540 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000424333588 200916595 /nfs/dbraw/zinc/91/65/95/200916595.db2.gz XVOJEZYSLJJMHT-LSDHHAIUSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000424334038 385149368 /nfs/dbraw/zinc/14/93/68/385149368.db2.gz YLINZYADKQJQBC-COPLHBTASA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000424334040 200916109 /nfs/dbraw/zinc/91/61/09/200916109.db2.gz YLINZYADKQJQBC-MJVIPROJSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)[C@@H](C)c1ccc(Cl)cc1 ZINC000424334043 385148816 /nfs/dbraw/zinc/14/88/16/385148816.db2.gz YLINZYADKQJQBC-SUNKGSAMSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)[C@@H](C)c1ccc(Cl)cc1 ZINC000424334046 385148716 /nfs/dbraw/zinc/14/87/16/385148716.db2.gz YLINZYADKQJQBC-UHIISALHSA-N 1 0 249.785 3.974 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC12CC2)c1cccs1 ZINC000424334624 385147856 /nfs/dbraw/zinc/14/78/56/385147856.db2.gz YWONOJXJBVPETB-AAEUAGOBSA-N 1 0 235.396 3.977 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccs1 ZINC000424334625 200915765 /nfs/dbraw/zinc/91/57/65/200915765.db2.gz YWONOJXJBVPETB-DGCLKSJQSA-N 1 0 235.396 3.977 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC12CC2)c1cccs1 ZINC000424334626 200917064 /nfs/dbraw/zinc/91/70/64/200917064.db2.gz YWONOJXJBVPETB-WCQYABFASA-N 1 0 235.396 3.977 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC12CC2)c1cccs1 ZINC000424334627 384948790 /nfs/dbraw/zinc/94/87/90/384948790.db2.gz YWONOJXJBVPETB-YPMHNXCESA-N 1 0 235.396 3.977 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424335098 200916085 /nfs/dbraw/zinc/91/60/85/200916085.db2.gz ZFKCPCBQLUMVJD-KKUMJFAQSA-N 1 0 245.341 3.604 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424335100 385148697 /nfs/dbraw/zinc/14/86/97/385148697.db2.gz ZFKCPCBQLUMVJD-RRFJBIMHSA-N 1 0 245.341 3.604 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC23CC3)cc1 ZINC000424335101 200916347 /nfs/dbraw/zinc/91/63/47/200916347.db2.gz ZFKCPCBQLUMVJD-SOUVJXGZSA-N 1 0 245.341 3.604 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC23CC3)cc1 ZINC000424335103 385148173 /nfs/dbraw/zinc/14/81/73/385148173.db2.gz ZFKCPCBQLUMVJD-ZNMIVQPWSA-N 1 0 245.341 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335123 385149325 /nfs/dbraw/zinc/14/93/25/385149325.db2.gz ZIHPLLOJLRPCMW-BXKDBHETSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335125 385148295 /nfs/dbraw/zinc/14/82/95/385148295.db2.gz ZIHPLLOJLRPCMW-CABZTGNLSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335127 385148092 /nfs/dbraw/zinc/14/80/92/385148092.db2.gz ZIHPLLOJLRPCMW-JOYOIKCWSA-N 1 0 221.731 3.543 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335129 385148198 /nfs/dbraw/zinc/14/81/98/385148198.db2.gz ZIHPLLOJLRPCMW-SKDRFNHKSA-N 1 0 221.731 3.543 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)oc1C ZINC000424335440 387978671 /nfs/dbraw/zinc/97/86/71/387978671.db2.gz WPROUDGGCUCBKM-DDTOSNHZSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)oc1C ZINC000424335444 387978964 /nfs/dbraw/zinc/97/89/64/387978964.db2.gz WPROUDGGCUCBKM-LEWSCRJBSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)s1 ZINC000424335553 387978863 /nfs/dbraw/zinc/97/88/63/387978863.db2.gz WXMVELJYLPKZAU-KGYLQXTDSA-N 1 0 235.396 3.896 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)s1 ZINC000424335554 387979288 /nfs/dbraw/zinc/97/92/88/387979288.db2.gz WXMVELJYLPKZAU-WCFLWFBJSA-N 1 0 235.396 3.896 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CC12CC2)c1ccoc1 ZINC000424335600 385150246 /nfs/dbraw/zinc/15/02/46/385150246.db2.gz ZUUOSMPSBCRPFO-KBPBESRZSA-N 1 0 233.355 3.899 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccoc1 ZINC000424335601 385151604 /nfs/dbraw/zinc/15/16/04/385151604.db2.gz ZUUOSMPSBCRPFO-KGLIPLIRSA-N 1 0 233.355 3.899 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccoc1 ZINC000424335602 385151555 /nfs/dbraw/zinc/15/15/55/385151555.db2.gz ZUUOSMPSBCRPFO-UONOGXRCSA-N 1 0 233.355 3.899 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccoc1 ZINC000424335603 385150590 /nfs/dbraw/zinc/15/05/90/385150590.db2.gz ZUUOSMPSBCRPFO-ZIAGYGMSSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(F)c1 ZINC000424335972 387978703 /nfs/dbraw/zinc/97/87/03/387978703.db2.gz XFIPBJAPURROIM-NZVBXONLSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(F)c1 ZINC000424335973 387978243 /nfs/dbraw/zinc/97/82/43/387978243.db2.gz XFIPBJAPURROIM-WKPIXPDZSA-N 1 0 233.330 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000424336316 387978334 /nfs/dbraw/zinc/97/83/34/387978334.db2.gz XQDBGIPIURIZIH-BYCMXARLSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000424336318 387978250 /nfs/dbraw/zinc/97/82/50/387978250.db2.gz XQDBGIPIURIZIH-TUKIKUTGSA-N 1 0 215.340 3.526 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c(C)o1 ZINC000424337184 387980858 /nfs/dbraw/zinc/98/08/58/387980858.db2.gz ZCHYYFRWMHPUCN-NZVBXONLSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c(C)o1 ZINC000424337186 387980556 /nfs/dbraw/zinc/98/05/56/387980556.db2.gz ZCHYYFRWMHPUCN-WKPIXPDZSA-N 1 0 233.355 3.736 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000424337822 387980233 /nfs/dbraw/zinc/98/02/33/387980233.db2.gz ACUQVCGFKKICBI-CZVOBTNASA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000424337823 387980415 /nfs/dbraw/zinc/98/04/15/387980415.db2.gz ACUQVCGFKKICBI-KFTDAMQQSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424337977 387980603 /nfs/dbraw/zinc/98/06/03/387980603.db2.gz AIUZHCDLIGFEMQ-OEYIWLLWSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424337979 200917322 /nfs/dbraw/zinc/91/73/22/200917322.db2.gz AIUZHCDLIGFEMQ-ZIEJDFEHSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424338237 387979808 /nfs/dbraw/zinc/97/98/08/387979808.db2.gz AKUVLUPLHPUILN-AMSCCUFHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000424338240 387979684 /nfs/dbraw/zinc/97/96/84/387979684.db2.gz AKUVLUPLHPUILN-XHXGSEDSSA-N 1 0 229.367 3.567 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)no1 ZINC000424340484 387982241 /nfs/dbraw/zinc/98/22/41/387982241.db2.gz CRIKDNCUXIGYRX-FPMFFAJLSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)no1 ZINC000424340486 387982000 /nfs/dbraw/zinc/98/20/00/387982000.db2.gz CRIKDNCUXIGYRX-KWCYVHTRSA-N 1 0 248.370 3.602 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424341104 200919758 /nfs/dbraw/zinc/91/97/58/200919758.db2.gz DFBJQZMCBZXQOQ-OEYIWLLWSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424341107 387982491 /nfs/dbraw/zinc/98/24/91/387982491.db2.gz DFBJQZMCBZXQOQ-ZIEJDFEHSA-N 1 0 247.357 3.535 20 0 BHADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342210 387981752 /nfs/dbraw/zinc/98/17/52/387981752.db2.gz FLYMSJWLRZJQMK-FVCCEPFGSA-N 1 0 247.407 3.858 20 0 BHADRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342213 387982918 /nfs/dbraw/zinc/98/29/18/387982918.db2.gz FLYMSJWLRZJQMK-RVMXOQNASA-N 1 0 247.407 3.858 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000424342844 359728905 /nfs/dbraw/zinc/72/89/05/359728905.db2.gz GFUQEUHRODPERH-NDPMZMCLSA-N 1 0 247.769 3.715 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000424342847 359728873 /nfs/dbraw/zinc/72/88/73/359728873.db2.gz GFUQEUHRODPERH-WJNVRWDZSA-N 1 0 247.769 3.715 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000424343278 387988717 /nfs/dbraw/zinc/98/87/17/387988717.db2.gz GVWPUCPZMJRGFC-IKKURHKOSA-N 1 0 247.407 3.628 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000424343279 387988723 /nfs/dbraw/zinc/98/87/23/387988723.db2.gz GVWPUCPZMJRGFC-KYTCRMMBSA-N 1 0 247.407 3.628 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000424343294 200920736 /nfs/dbraw/zinc/92/07/36/200920736.db2.gz GXCIIJWYRYLONZ-FQLMCAECSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000424343295 387988523 /nfs/dbraw/zinc/98/85/23/387988523.db2.gz GXCIIJWYRYLONZ-HLPPOEQASA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2c(s1)CCC2 ZINC000424343884 387984551 /nfs/dbraw/zinc/98/45/51/387984551.db2.gz HINHQMUCHCXOOJ-FOUMNBMASA-N 1 0 247.407 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2c(s1)CCC2 ZINC000424343889 387984356 /nfs/dbraw/zinc/98/43/56/387984356.db2.gz HINHQMUCHCXOOJ-SYEHKZFSSA-N 1 0 247.407 3.686 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC000424345826 387984319 /nfs/dbraw/zinc/98/43/19/387984319.db2.gz JBPMKCJEGFRGFV-APIJFGDWSA-N 1 0 229.367 3.753 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC000424345831 387984485 /nfs/dbraw/zinc/98/44/85/387984485.db2.gz JBPMKCJEGFRGFV-XQLPTFJDSA-N 1 0 229.367 3.753 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424347305 387984332 /nfs/dbraw/zinc/98/43/32/387984332.db2.gz KDBVYMNVNNLMKV-FAXLKDOZSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424347310 387983459 /nfs/dbraw/zinc/98/34/59/387983459.db2.gz KDBVYMNVNNLMKV-LMWOUKEDSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424348904 387985381 /nfs/dbraw/zinc/98/53/81/387985381.db2.gz LNGIUAIWXHBWKR-MHEUCROKSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424348907 387985438 /nfs/dbraw/zinc/98/54/38/387985438.db2.gz LNGIUAIWXHBWKR-REBRKWNGSA-N 1 0 247.357 3.535 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424349164 387985679 /nfs/dbraw/zinc/98/56/79/387985679.db2.gz LPDSIHSSHOLNHI-GFQSEFKGSA-N 1 0 245.366 3.681 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424349166 387985459 /nfs/dbraw/zinc/98/54/59/387985459.db2.gz LPDSIHSSHOLNHI-OPDFLTKYSA-N 1 0 245.366 3.681 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000424350380 387985747 /nfs/dbraw/zinc/98/57/47/387985747.db2.gz MQAGZSRVCFCOOH-CRWXNKLISA-N 1 0 235.396 3.977 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000424350386 387985306 /nfs/dbraw/zinc/98/53/06/387985306.db2.gz MQAGZSRVCFCOOH-XJFOESAGSA-N 1 0 235.396 3.977 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CCC2)o1 ZINC000424352046 387985520 /nfs/dbraw/zinc/98/55/20/387985520.db2.gz NUZJLPXWKXLLOT-FQLMCAECSA-N 1 0 245.366 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C2CCC2)o1 ZINC000424352050 387985169 /nfs/dbraw/zinc/98/51/69/387985169.db2.gz NUZJLPXWKXLLOT-HLPPOEQASA-N 1 0 245.366 3.817 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353663 387986905 /nfs/dbraw/zinc/98/69/05/387986905.db2.gz PJAZJZGPDPWDQW-FQUUOJAGSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353664 387987000 /nfs/dbraw/zinc/98/70/00/387987000.db2.gz PJAZJZGPDPWDQW-YIYPIFLZSA-N 1 0 207.361 3.509 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(OC)c1 ZINC000424354010 387987184 /nfs/dbraw/zinc/98/71/84/387987184.db2.gz PUCOQGLYZRNCRC-FQLMCAECSA-N 1 0 245.366 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(OC)c1 ZINC000424354012 200920704 /nfs/dbraw/zinc/92/07/04/200920704.db2.gz PUCOQGLYZRNCRC-HLPPOEQASA-N 1 0 245.366 3.534 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424355308 387988546 /nfs/dbraw/zinc/98/85/46/387988546.db2.gz QZXMVQGXCQFCLY-BQJWPVKWSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424355312 387988612 /nfs/dbraw/zinc/98/86/12/387988612.db2.gz QZXMVQGXCQFCLY-QEOTZNIISA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CCC(F)(F)CC1 ZINC000424355758 200920356 /nfs/dbraw/zinc/92/03/56/200920356.db2.gz RJVULYUYECNFDF-FOUMNBMASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CCC(F)(F)CC1 ZINC000424355762 387988635 /nfs/dbraw/zinc/98/86/35/387988635.db2.gz RJVULYUYECNFDF-SYEHKZFSSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424356836 200920981 /nfs/dbraw/zinc/92/09/81/200920981.db2.gz SEGHYYZFHGOHOL-UHOFOFEASA-N 1 0 247.382 3.769 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424356837 387988616 /nfs/dbraw/zinc/98/86/16/387988616.db2.gz SEGHYYZFHGOHOL-VBNZEHGJSA-N 1 0 247.382 3.769 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000424358662 387988343 /nfs/dbraw/zinc/98/83/43/387988343.db2.gz UILQGUVSNUHBOI-FAXLKDOZSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000424358663 200921327 /nfs/dbraw/zinc/92/13/27/200921327.db2.gz UILQGUVSNUHBOI-LMWOUKEDSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000424360551 387988666 /nfs/dbraw/zinc/98/86/66/387988666.db2.gz WGMMZUXQFDPOCD-CEMYWYHPSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000424360553 387988628 /nfs/dbraw/zinc/98/86/28/387988628.db2.gz WGMMZUXQFDPOCD-MNMQIZOCSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)c1ccccc1 ZINC000424360961 387989836 /nfs/dbraw/zinc/98/98/36/387989836.db2.gz WWGWOAMJHJMFJC-AYDFFVQHSA-N 1 0 243.394 3.741 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)c1ccccc1 ZINC000424360964 387989682 /nfs/dbraw/zinc/98/96/82/387989682.db2.gz WWGWOAMJHJMFJC-HGTKMLMNSA-N 1 0 243.394 3.741 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)C ZINC000424361586 387990211 /nfs/dbraw/zinc/99/02/11/387990211.db2.gz XNIVQLKPDPRZIP-RNJOBUHISA-N 1 0 209.377 3.589 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)C ZINC000424361590 200921458 /nfs/dbraw/zinc/92/14/58/200921458.db2.gz XNIVQLKPDPRZIP-YVECIDJPSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424361721 387989397 /nfs/dbraw/zinc/98/93/97/387989397.db2.gz YARWBEYNSNMYBH-LLLHUVSDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424361722 200921450 /nfs/dbraw/zinc/92/14/50/200921450.db2.gz YARWBEYNSNMYBH-MXASKKJJSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cc(N2CCc3ccccc3[C@H]2C)cc[nH+]1 ZINC000425228381 206020633 /nfs/dbraw/zinc/02/06/33/206020633.db2.gz JZJHZLKOYKNLTJ-CYBMUJFWSA-N 1 0 238.334 3.514 20 0 BHADRO Cc1cc(N2CCc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000425228382 206020941 /nfs/dbraw/zinc/02/09/41/206020941.db2.gz JZJHZLKOYKNLTJ-ZDUSSCGKSA-N 1 0 238.334 3.514 20 0 BHADRO Fc1ccc2c(N[C@@H]3C[C@H]4C[C@H]4C3)cc[nH+]c2c1 ZINC000425308684 386553214 /nfs/dbraw/zinc/55/32/14/386553214.db2.gz VHEVMAUJRNJLES-PEGIJTEDSA-N 1 0 242.297 3.584 20 0 BHADRO CC[N@H+](Cc1cncn1C(C)C)C1CCCCC1 ZINC000425319538 386557372 /nfs/dbraw/zinc/55/73/72/386557372.db2.gz CUYIZAHFDDKNAD-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)n1cncc1C[N@H+](C)C1CCCCCC1 ZINC000425332266 386844937 /nfs/dbraw/zinc/84/49/37/386844937.db2.gz YQAKMXFRVNHAIP-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425335236 386851125 /nfs/dbraw/zinc/85/11/25/386851125.db2.gz IEJYKYSQBVQPMQ-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425335239 386852002 /nfs/dbraw/zinc/85/20/02/386852002.db2.gz IEJYKYSQBVQPMQ-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1c(C)cccc1C ZINC000425337437 386851430 /nfs/dbraw/zinc/85/14/30/386851430.db2.gz MXKKISOZTRTHMF-BFHYXJOUSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1c(C)cccc1C ZINC000425337439 386850410 /nfs/dbraw/zinc/85/04/10/386850410.db2.gz MXKKISOZTRTHMF-HZSPNIEDSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1c(C)cccc1C ZINC000425337441 386851325 /nfs/dbraw/zinc/85/13/25/386851325.db2.gz MXKKISOZTRTHMF-MELADBBJSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1c(C)cccc1C ZINC000425337444 386851973 /nfs/dbraw/zinc/85/19/73/386851973.db2.gz MXKKISOZTRTHMF-MGPQQGTHSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000425338382 398214485 /nfs/dbraw/zinc/21/44/85/398214485.db2.gz PDABYQOCGISPQE-KBPBESRZSA-N 1 0 239.428 3.751 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000425338383 191810871 /nfs/dbraw/zinc/81/08/71/191810871.db2.gz PDABYQOCGISPQE-KGLIPLIRSA-N 1 0 239.428 3.751 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000425338384 398214574 /nfs/dbraw/zinc/21/45/74/398214574.db2.gz PDABYQOCGISPQE-UONOGXRCSA-N 1 0 239.428 3.751 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000425338385 398214500 /nfs/dbraw/zinc/21/45/00/398214500.db2.gz PDABYQOCGISPQE-ZIAGYGMSSA-N 1 0 239.428 3.751 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425338401 398214817 /nfs/dbraw/zinc/21/48/17/398214817.db2.gz PGEXJRBVUZMENM-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425338402 398214759 /nfs/dbraw/zinc/21/47/59/398214759.db2.gz PGEXJRBVUZMENM-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000425341926 386845295 /nfs/dbraw/zinc/84/52/95/386845295.db2.gz FSBKHNGYGBXRED-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000425341927 386844856 /nfs/dbraw/zinc/84/48/56/386844856.db2.gz FSBKHNGYGBXRED-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000425341928 386844296 /nfs/dbraw/zinc/84/42/96/386844296.db2.gz FSBKHNGYGBXRED-QNWHQSFQSA-N 1 0 241.444 3.685 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000425342658 386875422 /nfs/dbraw/zinc/87/54/22/386875422.db2.gz HKXUPIHZQQQZBU-AEGPPILISA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000425342659 191819155 /nfs/dbraw/zinc/81/91/55/191819155.db2.gz HKXUPIHZQQQZBU-BPLDGKMQSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000425342660 386875028 /nfs/dbraw/zinc/87/50/28/386875028.db2.gz HKXUPIHZQQQZBU-NWANDNLSSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000425342661 386875634 /nfs/dbraw/zinc/87/56/34/386875634.db2.gz HKXUPIHZQQQZBU-VHDGCEQUSA-N 1 0 249.423 3.582 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000425349651 191818048 /nfs/dbraw/zinc/81/80/48/191818048.db2.gz GWPZBQDCBKZHOP-LTIDMASMSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000425349654 386866220 /nfs/dbraw/zinc/86/62/20/386866220.db2.gz GWPZBQDCBKZHOP-VVLHAWIVSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000425349656 191817422 /nfs/dbraw/zinc/81/74/22/191817422.db2.gz GWPZBQDCBKZHOP-WCXIOVBPSA-N 1 0 241.378 3.568 20 0 BHADRO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000425354173 386964453 /nfs/dbraw/zinc/96/44/53/386964453.db2.gz MNRFWVZIGSYXTI-GDBMZVCRSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000425354177 386964627 /nfs/dbraw/zinc/96/46/27/386964627.db2.gz MNRFWVZIGSYXTI-GOEBONIOSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000425354181 386962752 /nfs/dbraw/zinc/96/27/52/386962752.db2.gz MNRFWVZIGSYXTI-HOCLYGCPSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000425354184 386964541 /nfs/dbraw/zinc/96/45/41/386964541.db2.gz MNRFWVZIGSYXTI-ZBFHGGJFSA-N 1 0 245.341 3.546 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)CC(C)C ZINC000425357000 386968103 /nfs/dbraw/zinc/96/81/03/386968103.db2.gz PUEJOLKRGFADDB-NEPJUHHUSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(C)C ZINC000425357005 191821696 /nfs/dbraw/zinc/82/16/96/191821696.db2.gz PUEJOLKRGFADDB-NWDGAFQWSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(C)C ZINC000425357007 386967790 /nfs/dbraw/zinc/96/77/90/386967790.db2.gz PUEJOLKRGFADDB-RYUDHWBXSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CC(C)C ZINC000425357008 191822514 /nfs/dbraw/zinc/82/25/14/191822514.db2.gz PUEJOLKRGFADDB-VXGBXAGGSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000425361249 386980913 /nfs/dbraw/zinc/98/09/13/386980913.db2.gz YMDMMZZTNHNGPP-UHOFOFEASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000425361250 191825520 /nfs/dbraw/zinc/82/55/20/191825520.db2.gz YMDMMZZTNHNGPP-VBNZEHGJSA-N 1 0 229.367 3.568 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000425362885 386970209 /nfs/dbraw/zinc/97/02/09/386970209.db2.gz VUIDYHUPKRZSME-AEGPPILISA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000425362886 191822612 /nfs/dbraw/zinc/82/26/12/191822612.db2.gz VUIDYHUPKRZSME-BPLDGKMQSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000425362887 191822624 /nfs/dbraw/zinc/82/26/24/191822624.db2.gz VUIDYHUPKRZSME-NWANDNLSSA-N 1 0 249.423 3.582 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000425362888 386971004 /nfs/dbraw/zinc/97/10/04/386971004.db2.gz VUIDYHUPKRZSME-VHDGCEQUSA-N 1 0 249.423 3.582 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CC(CC(F)F)C1 ZINC000425364711 386975149 /nfs/dbraw/zinc/97/51/49/386975149.db2.gz HEJTZIXNOHHJBZ-AAEUAGOBSA-N 1 0 243.341 3.566 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CC(CC(F)F)C1 ZINC000425364712 386975510 /nfs/dbraw/zinc/97/55/10/386975510.db2.gz HEJTZIXNOHHJBZ-DGCLKSJQSA-N 1 0 243.341 3.566 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC(CC(F)F)C1 ZINC000425364714 386974911 /nfs/dbraw/zinc/97/49/11/386974911.db2.gz HEJTZIXNOHHJBZ-WCQYABFASA-N 1 0 243.341 3.566 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CC(CC(F)F)C1 ZINC000425364715 191824673 /nfs/dbraw/zinc/82/46/73/191824673.db2.gz HEJTZIXNOHHJBZ-YPMHNXCESA-N 1 0 243.341 3.566 20 0 BHADRO FC(F)CC1C[NH+](CC2CCCCCC2)C1 ZINC000425365171 387021760 /nfs/dbraw/zinc/02/17/60/387021760.db2.gz JDOAYHRDNKQGBP-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH+]2CC(CC(F)F)C2)C1 ZINC000425365293 387021794 /nfs/dbraw/zinc/02/17/94/387021794.db2.gz JYHTVFJUNZKDBV-CMPLNLGQSA-N 1 0 243.341 3.566 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH+]2CC(CC(F)F)C2)C1 ZINC000425365294 387021986 /nfs/dbraw/zinc/02/19/86/387021986.db2.gz JYHTVFJUNZKDBV-JQWIXIFHSA-N 1 0 243.341 3.566 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH+]2CC(CC(F)F)C2)C1 ZINC000425365295 191828752 /nfs/dbraw/zinc/82/87/52/191828752.db2.gz JYHTVFJUNZKDBV-PWSUYJOCSA-N 1 0 243.341 3.566 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CC(CC(F)F)C2)C1 ZINC000425365296 191828520 /nfs/dbraw/zinc/82/85/20/191828520.db2.gz JYHTVFJUNZKDBV-ZYHUDNBSSA-N 1 0 243.341 3.566 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000425366467 398214735 /nfs/dbraw/zinc/21/47/35/398214735.db2.gz FSBKHNGYGBXRED-ZDEQEGDKSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C(C[NH+]1CC(CC(F)F)C1)C(C)C ZINC000425367002 387024885 /nfs/dbraw/zinc/02/48/85/387024885.db2.gz RJJZFICCFAPNFY-UHFFFAOYSA-N 1 0 233.346 3.502 20 0 BHADRO FC(F)CC1C[NH+](CCC2CCCCC2)C1 ZINC000425367296 387025335 /nfs/dbraw/zinc/02/53/35/387025335.db2.gz SGVSACDEKJFMSL-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO FC(F)CC1C[NH+](CCCC2CCCCC2)C1 ZINC000425367348 387024698 /nfs/dbraw/zinc/02/46/98/387024698.db2.gz SNURCBURACGHDJ-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000425368208 387026715 /nfs/dbraw/zinc/02/67/15/387026715.db2.gz JNTDZTVVDSZEPR-CHWSQXEVSA-N 1 0 239.428 3.607 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000425368209 191829337 /nfs/dbraw/zinc/82/93/37/191829337.db2.gz JNTDZTVVDSZEPR-OLZOCXBDSA-N 1 0 239.428 3.607 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000425368210 387026995 /nfs/dbraw/zinc/02/69/95/387026995.db2.gz JNTDZTVVDSZEPR-QWHCGFSZSA-N 1 0 239.428 3.607 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000425368211 387026281 /nfs/dbraw/zinc/02/62/81/387026281.db2.gz JNTDZTVVDSZEPR-STQMWFEESA-N 1 0 239.428 3.607 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000425374637 387014760 /nfs/dbraw/zinc/01/47/60/387014760.db2.gz XRSKEXJBWXSROM-HZSPNIEDSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425374638 191827213 /nfs/dbraw/zinc/82/72/13/191827213.db2.gz XRSKEXJBWXSROM-MCIONIFRSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000425374639 387014895 /nfs/dbraw/zinc/01/48/95/387014895.db2.gz XRSKEXJBWXSROM-MGPQQGTHSA-N 1 0 235.396 3.621 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425374640 387014323 /nfs/dbraw/zinc/01/43/23/387014323.db2.gz XRSKEXJBWXSROM-RDBSUJKOSA-N 1 0 235.396 3.621 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000425382015 191832572 /nfs/dbraw/zinc/83/25/72/191832572.db2.gz NEQUBMOKHPTWFR-GHMZBOCLSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000425382018 387034907 /nfs/dbraw/zinc/03/49/07/387034907.db2.gz NEQUBMOKHPTWFR-MNOVXSKESA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000425382023 387034580 /nfs/dbraw/zinc/03/45/80/387034580.db2.gz NEQUBMOKHPTWFR-QWRGUYRKSA-N 1 0 229.433 3.542 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000425382025 387034405 /nfs/dbraw/zinc/03/44/05/387034405.db2.gz NEQUBMOKHPTWFR-WDEREUQCSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000425511415 386286547 /nfs/dbraw/zinc/28/65/47/386286547.db2.gz CYSLLJZVGYRHBA-IJLUTSLNSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000425511416 386288477 /nfs/dbraw/zinc/28/84/77/386288477.db2.gz CYSLLJZVGYRHBA-UTUOFQBUSA-N 1 0 231.330 3.542 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000425522101 386324176 /nfs/dbraw/zinc/32/41/76/386324176.db2.gz LYXBOVWBGUDRSN-CHWSQXEVSA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)[C@H](C)C1 ZINC000425524677 386326274 /nfs/dbraw/zinc/32/62/74/386326274.db2.gz RLZPMXCZSGINIZ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000425526323 386310927 /nfs/dbraw/zinc/31/09/27/386310927.db2.gz WMASBYMJIZGIHJ-CHWSQXEVSA-N 1 0 245.366 3.510 20 0 BHADRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000425535927 386352568 /nfs/dbraw/zinc/35/25/68/386352568.db2.gz DNFAEIJIIHBAME-AWEZNQCLSA-N 1 0 235.346 3.819 20 0 BHADRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000425535933 386336649 /nfs/dbraw/zinc/33/66/49/386336649.db2.gz DNFAEIJIIHBAME-CQSZACIVSA-N 1 0 235.346 3.819 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CC1 ZINC000425919049 191805243 /nfs/dbraw/zinc/80/52/43/191805243.db2.gz FYYZCHXGQRVHGT-INIZCTEOSA-N 1 0 247.357 3.981 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CC1 ZINC000425919057 386632123 /nfs/dbraw/zinc/63/21/23/386632123.db2.gz FYYZCHXGQRVHGT-MRXNPFEDSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC000425924932 387534945 /nfs/dbraw/zinc/53/49/45/387534945.db2.gz NBZHGNAMXHZRPT-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC000425924947 387533598 /nfs/dbraw/zinc/53/35/98/387533598.db2.gz NBZHGNAMXHZRPT-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425926384 386695201 /nfs/dbraw/zinc/69/52/01/386695201.db2.gz PCEDJDUVUSIBOV-UHFFFAOYSA-N 1 0 235.346 3.981 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000425928368 191808238 /nfs/dbraw/zinc/80/82/38/191808238.db2.gz RVSALDRFZIKUOQ-SECBINFHSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000425928371 386669199 /nfs/dbraw/zinc/66/91/99/386669199.db2.gz RVSALDRFZIKUOQ-VIFPVBQESA-N 1 0 245.357 3.692 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425936798 191808592 /nfs/dbraw/zinc/80/85/92/191808592.db2.gz JVUNZAUNFZBDSQ-CYZMBNFOSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425936799 386684983 /nfs/dbraw/zinc/68/49/83/386684983.db2.gz JVUNZAUNFZBDSQ-RAIGVLPGSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425936800 517785272 /nfs/dbraw/zinc/78/52/72/517785272.db2.gz JVUNZAUNFZBDSQ-RTXFEEFZSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425936801 386685343 /nfs/dbraw/zinc/68/53/43/386685343.db2.gz JVUNZAUNFZBDSQ-UHTWSYAYSA-N 1 0 245.357 3.836 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425937132 386684709 /nfs/dbraw/zinc/68/47/09/386684709.db2.gz LDODVIBLKKOUOJ-NEPJUHHUSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425937133 386683961 /nfs/dbraw/zinc/68/39/61/386683961.db2.gz LDODVIBLKKOUOJ-NWDGAFQWSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425937134 386684273 /nfs/dbraw/zinc/68/42/73/386684273.db2.gz LDODVIBLKKOUOJ-RYUDHWBXSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425937135 386683711 /nfs/dbraw/zinc/68/37/11/386683711.db2.gz LDODVIBLKKOUOJ-VXGBXAGGSA-N 1 0 249.320 3.540 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425938988 387534683 /nfs/dbraw/zinc/53/46/83/387534683.db2.gz YJFGPORHTJGHOQ-CYZMBNFOSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425938989 200968168 /nfs/dbraw/zinc/96/81/68/200968168.db2.gz YJFGPORHTJGHOQ-RAIGVLPGSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425938990 387534394 /nfs/dbraw/zinc/53/43/94/387534394.db2.gz YJFGPORHTJGHOQ-RTXFEEFZSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425938991 387535021 /nfs/dbraw/zinc/53/50/21/387535021.db2.gz YJFGPORHTJGHOQ-UHTWSYAYSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425941874 386753920 /nfs/dbraw/zinc/75/39/20/386753920.db2.gz CWRSTVJHRQXFHV-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425941878 386754943 /nfs/dbraw/zinc/75/49/43/386754943.db2.gz CWRSTVJHRQXFHV-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425941880 386753961 /nfs/dbraw/zinc/75/39/61/386753961.db2.gz CWRSTVJHRQXFHV-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425941881 386754159 /nfs/dbraw/zinc/75/41/59/386754159.db2.gz CWRSTVJHRQXFHV-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1(C)CC1 ZINC000425943176 205834886 /nfs/dbraw/zinc/83/48/86/205834886.db2.gz IIHKCQPHEFFDJB-LLVKDONJSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1(C)CC1 ZINC000425943179 386752886 /nfs/dbraw/zinc/75/28/86/386752886.db2.gz IIHKCQPHEFFDJB-NSHDSACASA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CCC1 ZINC000425945649 191810149 /nfs/dbraw/zinc/81/01/49/191810149.db2.gz ROFAQXJOTJMBKU-LLVKDONJSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CCC1 ZINC000425945650 386757247 /nfs/dbraw/zinc/75/72/47/386757247.db2.gz ROFAQXJOTJMBKU-NSHDSACASA-N 1 0 247.357 3.981 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000425947988 386757801 /nfs/dbraw/zinc/75/78/01/386757801.db2.gz YUMOSTKCTXHWNE-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000425947989 386757746 /nfs/dbraw/zinc/75/77/46/386757746.db2.gz YUMOSTKCTXHWNE-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000425947990 386756485 /nfs/dbraw/zinc/75/64/85/386756485.db2.gz YUMOSTKCTXHWNE-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000425947991 386756870 /nfs/dbraw/zinc/75/68/70/386756870.db2.gz YUMOSTKCTXHWNE-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO CCC1(C)CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425948601 200969057 /nfs/dbraw/zinc/96/90/57/200969057.db2.gz BKQHSQVMYGVXLV-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425949884 191820081 /nfs/dbraw/zinc/82/00/81/191820081.db2.gz HWOMAZXKXPMLNB-LLVKDONJSA-N 1 0 235.346 3.837 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425949886 386915094 /nfs/dbraw/zinc/91/50/94/386915094.db2.gz HWOMAZXKXPMLNB-NSHDSACASA-N 1 0 235.346 3.837 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C3CC3)cc2F)C1 ZINC000425949968 386915702 /nfs/dbraw/zinc/91/57/02/386915702.db2.gz IEZZHIYIBIABEQ-UHFFFAOYSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425953832 191820207 /nfs/dbraw/zinc/82/02/07/191820207.db2.gz TYSLQKZQBRNCPR-LLVKDONJSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425953833 191819980 /nfs/dbraw/zinc/81/99/80/191819980.db2.gz TYSLQKZQBRNCPR-NSHDSACASA-N 1 0 247.357 3.981 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425954726 386917972 /nfs/dbraw/zinc/91/79/72/386917972.db2.gz WVEFNLFCVCJWIX-LLVKDONJSA-N 1 0 235.346 3.981 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425954727 386919101 /nfs/dbraw/zinc/91/91/01/386919101.db2.gz WVEFNLFCVCJWIX-NSHDSACASA-N 1 0 235.346 3.981 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1CCSC1 ZINC000425956217 387533425 /nfs/dbraw/zinc/53/34/25/387533425.db2.gz CCOUNBGDUOBRJV-QWHCGFSZSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1CCSC1 ZINC000425956222 387534887 /nfs/dbraw/zinc/53/48/87/387534887.db2.gz CCOUNBGDUOBRJV-STQMWFEESA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[NH2+]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000425969639 387099016 /nfs/dbraw/zinc/09/90/16/387099016.db2.gz XCCQVQNGAUJDOZ-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CCCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000425982248 411167546 /nfs/dbraw/zinc/16/75/46/411167546.db2.gz QJTYLEJQHQHQDY-AATRIKPKSA-N 1 0 244.382 3.607 20 0 BHADRO CC1(C)CCCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000425982249 411167683 /nfs/dbraw/zinc/16/76/83/411167683.db2.gz QJTYLEJQHQHQDY-WAYWQWQTSA-N 1 0 244.382 3.607 20 0 BHADRO FC(F)(F)C12CCC([NH2+]CC3CC3)(CC1)CC2 ZINC000425983058 398222559 /nfs/dbraw/zinc/22/25/59/398222559.db2.gz ZMMPNADHTKWLJL-UHFFFAOYSA-N 1 0 247.304 3.641 20 0 BHADRO CC(C)[N@H+](C/C=C\c1ccncc1)CC1CCC1 ZINC000425984848 398223132 /nfs/dbraw/zinc/22/31/32/398223132.db2.gz MFAXDJLNWLKBAF-DAXSKMNVSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)[N@H+](C/C=C/c1ccncc1)CC1CCC1 ZINC000425984849 398222536 /nfs/dbraw/zinc/22/25/36/398222536.db2.gz MFAXDJLNWLKBAF-QPJJXVBHSA-N 1 0 244.382 3.605 20 0 BHADRO Clc1csc(C[N@@H+]2CCCC23CCC3)c1 ZINC000426001147 386007165 /nfs/dbraw/zinc/00/71/65/386007165.db2.gz WINDLVIMSBZMPX-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CCCC[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426032632 387536070 /nfs/dbraw/zinc/53/60/70/387536070.db2.gz BWSNSBVHSDYDTA-UHFFFAOYSA-N 1 0 248.395 3.837 20 0 BHADRO CCCC[N@H+](CC)Cc1nc(CCC)cs1 ZINC000426034429 387535757 /nfs/dbraw/zinc/53/57/57/387535757.db2.gz FWYPCMOMAQZCDC-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCCc1csc(C[NH+](CCC)CCC)n1 ZINC000426034735 387536605 /nfs/dbraw/zinc/53/66/05/387536605.db2.gz JAUFTCAULUDGOX-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCCc1csc(C[N@H+](C)[C@H](C)C(C)C)n1 ZINC000426038207 386527557 /nfs/dbraw/zinc/52/75/57/386527557.db2.gz WWMXWXUPWMHAQE-LLVKDONJSA-N 1 0 240.416 3.572 20 0 BHADRO CCCc1csc(C[N@H+](C)[C@@H](C)C(C)C)n1 ZINC000426038208 386526374 /nfs/dbraw/zinc/52/63/74/386526374.db2.gz WWMXWXUPWMHAQE-NSHDSACASA-N 1 0 240.416 3.572 20 0 BHADRO CC[N@H+](Cc1ccc2nc(C)sc2c1)C1CC1 ZINC000426041467 386540198 /nfs/dbraw/zinc/54/01/98/386540198.db2.gz FKRCUPJIEDJYAF-UHFFFAOYSA-N 1 0 246.379 3.589 20 0 BHADRO CCC[N@H+](CC)Cc1ccc2nc(C)sc2c1 ZINC000426043575 387536674 /nfs/dbraw/zinc/53/66/74/387536674.db2.gz IEGREVKRUREHLQ-UHFFFAOYSA-N 1 0 248.395 3.837 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+]C3CCC3)oc2c1 ZINC000426048937 386645904 /nfs/dbraw/zinc/64/59/04/386645904.db2.gz KFIVFUKDPMGISG-LLVKDONJSA-N 1 0 229.323 3.944 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+]C3CCC3)oc2c1 ZINC000426048938 386645712 /nfs/dbraw/zinc/64/57/12/386645712.db2.gz KFIVFUKDPMGISG-NSHDSACASA-N 1 0 229.323 3.944 20 0 BHADRO CC[N@H+](Cc1ccc2nc(C)sc2c1)C(C)C ZINC000426062853 386648887 /nfs/dbraw/zinc/64/88/87/386648887.db2.gz YQJNINOYBVYENP-UHFFFAOYSA-N 1 0 248.395 3.835 20 0 BHADRO CCCc1csc(C[N@H+](CC)CC(C)C)n1 ZINC000426064370 386647885 /nfs/dbraw/zinc/64/78/85/386647885.db2.gz TWEQWKOZAKWQHN-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426073229 387535478 /nfs/dbraw/zinc/53/54/78/387535478.db2.gz AJJZRGUZCRNNCQ-JTQLQIEISA-N 1 0 248.395 3.835 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426073230 387537338 /nfs/dbraw/zinc/53/73/38/387537338.db2.gz AJJZRGUZCRNNCQ-SNVBAGLBSA-N 1 0 248.395 3.835 20 0 BHADRO Cc1nc2ccc(C[N@@H+](C)CC(C)C)cc2s1 ZINC000426074825 386650187 /nfs/dbraw/zinc/65/01/87/386650187.db2.gz DVZWVVFQRPTZDY-UHFFFAOYSA-N 1 0 248.395 3.693 20 0 BHADRO CCCc1csc(C[N@@H+](C)[C@H](C)CCC)n1 ZINC000426076914 323182549 /nfs/dbraw/zinc/18/25/49/323182549.db2.gz JZLHKVLAVFPEPB-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCCc1csc(C[N@@H+](C)[C@@H](C)CCC)n1 ZINC000426076915 323182512 /nfs/dbraw/zinc/18/25/12/323182512.db2.gz JZLHKVLAVFPEPB-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CCC[N@H+](Cc1ccccc1)CC(C)(C)COC ZINC000426078967 386651286 /nfs/dbraw/zinc/65/12/86/386651286.db2.gz ORSDPGHQJRDYPR-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO CCCCC[N@H+](CC(C)(C)COC)C(C)C ZINC000426082634 386652718 /nfs/dbraw/zinc/65/27/18/386652718.db2.gz ZTDHDVZMPDCIKH-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CCC1(CC)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000426154779 200971582 /nfs/dbraw/zinc/97/15/82/200971582.db2.gz SWHPCBJMJQKQHW-CYBMUJFWSA-N 1 0 241.444 3.642 20 0 BHADRO CCC1(CC)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000426154781 387542408 /nfs/dbraw/zinc/54/24/08/387542408.db2.gz SWHPCBJMJQKQHW-ZDUSSCGKSA-N 1 0 241.444 3.642 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426163412 387544003 /nfs/dbraw/zinc/54/40/03/387544003.db2.gz WGLJXWQOWCZIJL-BXKDBHETSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426163413 387543816 /nfs/dbraw/zinc/54/38/16/387543816.db2.gz WGLJXWQOWCZIJL-CABZTGNLSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426163414 387543185 /nfs/dbraw/zinc/54/31/85/387543185.db2.gz WGLJXWQOWCZIJL-JOYOIKCWSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426163415 387542209 /nfs/dbraw/zinc/54/22/09/387542209.db2.gz WGLJXWQOWCZIJL-SKDRFNHKSA-N 1 0 241.787 3.776 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000426164242 387544786 /nfs/dbraw/zinc/54/47/86/387544786.db2.gz YIVYQPKWZGSROC-BIENSFFJSA-N 1 0 244.382 3.749 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000426164243 387545074 /nfs/dbraw/zinc/54/50/74/387545074.db2.gz YIVYQPKWZGSROC-GMNBZTITSA-N 1 0 244.382 3.749 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000426164244 387544960 /nfs/dbraw/zinc/54/49/60/387544960.db2.gz YIVYQPKWZGSROC-WRLNGNIRSA-N 1 0 244.382 3.749 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000426164245 387543721 /nfs/dbraw/zinc/54/37/21/387543721.db2.gz YIVYQPKWZGSROC-YERXGYGTSA-N 1 0 244.382 3.749 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000426287366 200978495 /nfs/dbraw/zinc/97/84/95/200978495.db2.gz YEKPBVDOCGHZFW-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000426287367 387552910 /nfs/dbraw/zinc/55/29/10/387552910.db2.gz YEKPBVDOCGHZFW-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCCCC1 ZINC000426288079 387552983 /nfs/dbraw/zinc/55/29/83/387552983.db2.gz HUVLMQKKIDTLOC-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000426294655 200978680 /nfs/dbraw/zinc/97/86/80/200978680.db2.gz UYEZAPAGDDRHQO-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000426294656 200978572 /nfs/dbraw/zinc/97/85/72/200978572.db2.gz UYEZAPAGDDRHQO-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000426299984 387554821 /nfs/dbraw/zinc/55/48/21/387554821.db2.gz BFFAOMHMLCSISM-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000426299985 200979015 /nfs/dbraw/zinc/97/90/15/200979015.db2.gz BFFAOMHMLCSISM-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)COC ZINC000426299986 200978520 /nfs/dbraw/zinc/97/85/20/200978520.db2.gz BFFAOMHMLCSISM-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)COC ZINC000426299987 387553906 /nfs/dbraw/zinc/55/39/06/387553906.db2.gz BFFAOMHMLCSISM-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000426301903 387554184 /nfs/dbraw/zinc/55/41/84/387554184.db2.gz FXDGJTKGLFALET-AWEZNQCLSA-N 1 0 249.398 3.627 20 0 BHADRO COCC(C)(C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000426301904 387554171 /nfs/dbraw/zinc/55/41/71/387554171.db2.gz FXDGJTKGLFALET-CQSZACIVSA-N 1 0 249.398 3.627 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)COC)C1CCCCC1 ZINC000426302387 387553900 /nfs/dbraw/zinc/55/39/00/387553900.db2.gz IJPGGMBGSUPOCO-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)COC)C1CCCCC1 ZINC000426302388 200978484 /nfs/dbraw/zinc/97/84/84/200978484.db2.gz IJPGGMBGSUPOCO-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000426309671 387554187 /nfs/dbraw/zinc/55/41/87/387554187.db2.gz HPBNCMKJWBJJQL-KBPBESRZSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000426309672 200979051 /nfs/dbraw/zinc/97/90/51/200979051.db2.gz HPBNCMKJWBJJQL-KGLIPLIRSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000426309673 200977657 /nfs/dbraw/zinc/97/76/57/200977657.db2.gz HPBNCMKJWBJJQL-UONOGXRCSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000426309674 387554603 /nfs/dbraw/zinc/55/46/03/387554603.db2.gz HPBNCMKJWBJJQL-ZIAGYGMSSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)CCc1ccsc1 ZINC000426332749 387556262 /nfs/dbraw/zinc/55/62/62/387556262.db2.gz DWCXELKDYBUBOZ-GFCCVEGCSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)CCc1ccsc1 ZINC000426332750 387557110 /nfs/dbraw/zinc/55/71/10/387557110.db2.gz DWCXELKDYBUBOZ-LBPRGKRZSA-N 1 0 249.379 3.760 20 0 BHADRO CCCc1nc(C)c(C[NH2+][C@H](CC)CCC)o1 ZINC000426341347 387556468 /nfs/dbraw/zinc/55/64/68/387556468.db2.gz BKNKMOAGUFUAIA-GFCCVEGCSA-N 1 0 238.375 3.604 20 0 BHADRO CCCc1nc(C)c(C[NH2+][C@@H](CC)CCC)o1 ZINC000426341348 387556088 /nfs/dbraw/zinc/55/60/88/387556088.db2.gz BKNKMOAGUFUAIA-LBPRGKRZSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1oc(CCC)nc1C ZINC000426354070 387558767 /nfs/dbraw/zinc/55/87/67/387558767.db2.gz YADYDTQVCWRXKM-LLVKDONJSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1oc(CCC)nc1C ZINC000426354071 387558003 /nfs/dbraw/zinc/55/80/03/387558003.db2.gz YADYDTQVCWRXKM-NSHDSACASA-N 1 0 238.375 3.604 20 0 BHADRO Cc1nc2ccc(C[NH+]3CCCCC3)cc2s1 ZINC000426355446 387559200 /nfs/dbraw/zinc/55/92/00/387559200.db2.gz AEYUVVCPIJXYIU-UHFFFAOYSA-N 1 0 246.379 3.591 20 0 BHADRO Cc1cccc(C[N@@H+]2CCS[C@H](C)CC2)c1C ZINC000426368660 387560742 /nfs/dbraw/zinc/56/07/42/387560742.db2.gz BLKLGGIHYLTRJB-CYBMUJFWSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cccc(C[N@@H+]2CCS[C@@H](C)CC2)c1C ZINC000426368661 387560546 /nfs/dbraw/zinc/56/05/46/387560546.db2.gz BLKLGGIHYLTRJB-ZDUSSCGKSA-N 1 0 249.423 3.631 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000426378836 200981734 /nfs/dbraw/zinc/98/17/34/200981734.db2.gz QZVYTTSMFZKVHM-DVKXPDSUSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000426378846 387563550 /nfs/dbraw/zinc/56/35/50/387563550.db2.gz QZVYTTSMFZKVHM-NBBUPCKLSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000426378847 387562489 /nfs/dbraw/zinc/56/24/89/387562489.db2.gz QZVYTTSMFZKVHM-NTWITZMVSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000426378848 387562156 /nfs/dbraw/zinc/56/21/56/387562156.db2.gz QZVYTTSMFZKVHM-OOFRTQJVSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1C ZINC000426383255 387563023 /nfs/dbraw/zinc/56/30/23/387563023.db2.gz AQFUKBASMLGOSD-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1C ZINC000426383256 387563395 /nfs/dbraw/zinc/56/33/95/387563395.db2.gz AQFUKBASMLGOSD-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO CCSCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000426385151 387562395 /nfs/dbraw/zinc/56/23/95/387562395.db2.gz LKFWUZUUFVAJOB-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000426388698 387563292 /nfs/dbraw/zinc/56/32/92/387563292.db2.gz AEMLITQYVWGIEZ-BMWLXYDHSA-N 1 0 247.407 3.527 20 0 BHADRO C[C@H]1CC[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000426388699 387563465 /nfs/dbraw/zinc/56/34/65/387563465.db2.gz AEMLITQYVWGIEZ-PODYEWJSSA-N 1 0 247.407 3.527 20 0 BHADRO COCC(C)(C)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000426392444 387563370 /nfs/dbraw/zinc/56/33/70/387563370.db2.gz ACIQPFXTIVXVOU-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO COCC(C)(C)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000426392445 387562367 /nfs/dbraw/zinc/56/23/67/387562367.db2.gz ACIQPFXTIVXVOU-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)c(C)c1 ZINC000426393692 387562190 /nfs/dbraw/zinc/56/21/90/387562190.db2.gz GZNHULOSCNOPHF-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@H](C)CC2)c(C)c1 ZINC000426393693 387563074 /nfs/dbraw/zinc/56/30/74/387563074.db2.gz GZNHULOSCNOPHF-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO COCC(C)(C)C[N@H+](CC(C)C)C1CCCC1 ZINC000426403879 387565089 /nfs/dbraw/zinc/56/50/89/387565089.db2.gz XSJYPEAXCYRACG-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CCCc1csc(C[N@H+](C)CC(C)(C)C)n1 ZINC000426408737 387564885 /nfs/dbraw/zinc/56/48/85/387564885.db2.gz CEULNTDVJPFRSX-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Cc1nc2ccc(C[N@H+]3CCC[C@@H]3C)cc2s1 ZINC000426412002 387566826 /nfs/dbraw/zinc/56/68/26/387566826.db2.gz SOTYTXDFMYTDMZ-JTQLQIEISA-N 1 0 246.379 3.589 20 0 BHADRO Cc1nc2ccc(C[N@H+]3CCC[C@H]3C)cc2s1 ZINC000426412111 387567548 /nfs/dbraw/zinc/56/75/48/387567548.db2.gz SOTYTXDFMYTDMZ-SNVBAGLBSA-N 1 0 246.379 3.589 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426413231 387567373 /nfs/dbraw/zinc/56/73/73/387567373.db2.gz RLLMHCJENIPWAM-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426413232 387560722 /nfs/dbraw/zinc/56/07/22/387560722.db2.gz RLLMHCJENIPWAM-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCCc1csc(C[N@H+](C)C[C@H](C)CC)n1 ZINC000426413586 387567498 /nfs/dbraw/zinc/56/74/98/387567498.db2.gz TUDFOPYTAWUNQX-LLVKDONJSA-N 1 0 240.416 3.574 20 0 BHADRO CCCc1csc(C[N@H+](C)C[C@@H](C)CC)n1 ZINC000426413587 387567758 /nfs/dbraw/zinc/56/77/58/387567758.db2.gz TUDFOPYTAWUNQX-NSHDSACASA-N 1 0 240.416 3.574 20 0 BHADRO Cc1nc2ccc(C[N@@H+](C)C3CCC3)cc2s1 ZINC000426414182 191044393 /nfs/dbraw/zinc/04/43/93/191044393.db2.gz AAQOAYXQYKMFOD-UHFFFAOYSA-N 1 0 246.379 3.589 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426416016 387566476 /nfs/dbraw/zinc/56/64/76/387566476.db2.gz GGUCWVNVZXSXEK-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426416017 387566465 /nfs/dbraw/zinc/56/64/65/387566465.db2.gz GGUCWVNVZXSXEK-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426423631 206048252 /nfs/dbraw/zinc/04/82/52/206048252.db2.gz ZMNAMAKEDQDEFI-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426423632 206046330 /nfs/dbraw/zinc/04/63/30/206046330.db2.gz ZMNAMAKEDQDEFI-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426423633 206046299 /nfs/dbraw/zinc/04/62/99/206046299.db2.gz ZMNAMAKEDQDEFI-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000426423634 206047214 /nfs/dbraw/zinc/04/72/14/206047214.db2.gz ZMNAMAKEDQDEFI-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426454261 387569241 /nfs/dbraw/zinc/56/92/41/387569241.db2.gz NYGVMMULIMSDOW-GDBMZVCRSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426454262 387568711 /nfs/dbraw/zinc/56/87/11/387568711.db2.gz NYGVMMULIMSDOW-GOEBONIOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426454263 387569926 /nfs/dbraw/zinc/56/99/26/387569926.db2.gz NYGVMMULIMSDOW-HOCLYGCPSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426454264 387569324 /nfs/dbraw/zinc/56/93/24/387569324.db2.gz NYGVMMULIMSDOW-ZBFHGGJFSA-N 1 0 247.357 3.633 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc2c1CCC2 ZINC000426455938 387568333 /nfs/dbraw/zinc/56/83/33/387568333.db2.gz VERJICVXSKIOIY-DOTOQJQBSA-N 1 0 241.378 3.550 20 0 BHADRO c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc2c1CCC2 ZINC000426455942 387570290 /nfs/dbraw/zinc/57/02/90/387570290.db2.gz VERJICVXSKIOIY-NVXWUHKLSA-N 1 0 241.378 3.550 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc2c1CCC2 ZINC000426455943 387569101 /nfs/dbraw/zinc/56/91/01/387569101.db2.gz VERJICVXSKIOIY-RDJZCZTQSA-N 1 0 241.378 3.550 20 0 BHADRO c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc2c1CCC2 ZINC000426455944 387570000 /nfs/dbraw/zinc/57/00/00/387570000.db2.gz VERJICVXSKIOIY-WBVHZDCISA-N 1 0 241.378 3.550 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426458682 387571353 /nfs/dbraw/zinc/57/13/53/387571353.db2.gz IYBLARXXJRYOLB-GDBMZVCRSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426458683 387570940 /nfs/dbraw/zinc/57/09/40/387570940.db2.gz IYBLARXXJRYOLB-GOEBONIOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426458684 387571755 /nfs/dbraw/zinc/57/17/55/387571755.db2.gz IYBLARXXJRYOLB-HOCLYGCPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426458685 387572024 /nfs/dbraw/zinc/57/20/24/387572024.db2.gz IYBLARXXJRYOLB-ZBFHGGJFSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(C)s1 ZINC000426459284 387571498 /nfs/dbraw/zinc/57/14/98/387571498.db2.gz KBOKZZBQXNYVPZ-GXTWGEPZSA-N 1 0 235.396 3.739 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(C)s1 ZINC000426459285 387572619 /nfs/dbraw/zinc/57/26/19/387572619.db2.gz KBOKZZBQXNYVPZ-JSGCOSHPSA-N 1 0 235.396 3.739 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(C)s1 ZINC000426459286 387572666 /nfs/dbraw/zinc/57/26/66/387572666.db2.gz KBOKZZBQXNYVPZ-OCCSQVGLSA-N 1 0 235.396 3.739 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(C)s1 ZINC000426459287 387571525 /nfs/dbraw/zinc/57/15/25/387571525.db2.gz KBOKZZBQXNYVPZ-TZMCWYRMSA-N 1 0 235.396 3.739 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426462233 384820711 /nfs/dbraw/zinc/82/07/11/384820711.db2.gz QLLZFIOPXVYCRD-DOMZBBRYSA-N 1 0 241.334 3.807 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426462234 384818639 /nfs/dbraw/zinc/81/86/39/384818639.db2.gz QLLZFIOPXVYCRD-IUODEOHRSA-N 1 0 241.334 3.807 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462235 384820220 /nfs/dbraw/zinc/82/02/20/384820220.db2.gz QLLZFIOPXVYCRD-SWLSCSKDSA-N 1 0 241.334 3.807 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462236 384818025 /nfs/dbraw/zinc/81/80/25/384818025.db2.gz QLLZFIOPXVYCRD-WFASDCNBSA-N 1 0 241.334 3.807 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462867 384819866 /nfs/dbraw/zinc/81/98/66/384819866.db2.gz WGPWFNRULKUIRW-AUPUMLSVSA-N 1 0 227.351 3.574 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000426462868 384817767 /nfs/dbraw/zinc/81/77/67/384817767.db2.gz UOTVWXRXKAPPNZ-KBPBESRZSA-N 1 0 235.396 3.555 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@H]3CCC[C@@H]32)cs1 ZINC000426462871 384820797 /nfs/dbraw/zinc/82/07/97/384820797.db2.gz UOTVWXRXKAPPNZ-KGLIPLIRSA-N 1 0 235.396 3.555 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@@H]3CCC[C@H]32)cs1 ZINC000426462872 384819630 /nfs/dbraw/zinc/81/96/30/384819630.db2.gz UOTVWXRXKAPPNZ-UONOGXRCSA-N 1 0 235.396 3.555 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@H]3CCC[C@H]32)cs1 ZINC000426462874 384819579 /nfs/dbraw/zinc/81/95/79/384819579.db2.gz UOTVWXRXKAPPNZ-ZIAGYGMSSA-N 1 0 235.396 3.555 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462880 384818500 /nfs/dbraw/zinc/81/85/00/384818500.db2.gz WGPWFNRULKUIRW-OXUBUWLOSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462884 384818688 /nfs/dbraw/zinc/81/86/88/384818688.db2.gz WGPWFNRULKUIRW-QBGJIXDNSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462886 384817639 /nfs/dbraw/zinc/81/76/39/384817639.db2.gz WGPWFNRULKUIRW-TWZSPHTKSA-N 1 0 227.351 3.574 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000426464073 387570826 /nfs/dbraw/zinc/57/08/26/387570826.db2.gz XSNVFQPENIJAHL-BMFZPTHFSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000426464074 387572764 /nfs/dbraw/zinc/57/27/64/387572764.db2.gz XSNVFQPENIJAHL-FVQBIDKESA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000426464075 387572477 /nfs/dbraw/zinc/57/24/77/387572477.db2.gz XSNVFQPENIJAHL-KBMXLJTQSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000426464076 387571814 /nfs/dbraw/zinc/57/18/14/387571814.db2.gz XSNVFQPENIJAHL-VNQPRFMTSA-N 1 0 229.367 3.665 20 0 BHADRO Clc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426471776 387572555 /nfs/dbraw/zinc/57/25/55/387572555.db2.gz TUZIFZWHHMNKDS-GXTWGEPZSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426471777 387571918 /nfs/dbraw/zinc/57/19/18/387571918.db2.gz TUZIFZWHHMNKDS-JSGCOSHPSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426471778 387570897 /nfs/dbraw/zinc/57/08/97/387570897.db2.gz TUZIFZWHHMNKDS-OCCSQVGLSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426471779 387572135 /nfs/dbraw/zinc/57/21/35/387572135.db2.gz TUZIFZWHHMNKDS-TZMCWYRMSA-N 1 0 235.758 3.714 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426474214 384831168 /nfs/dbraw/zinc/83/11/68/384831168.db2.gz ZWYNUCOOXJYDPU-DZGCQCFKSA-N 1 0 247.407 3.653 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426474215 384831357 /nfs/dbraw/zinc/83/13/57/384831357.db2.gz ZWYNUCOOXJYDPU-HIFRSBDPSA-N 1 0 247.407 3.653 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426474216 219848600 /nfs/dbraw/zinc/84/86/00/219848600.db2.gz ZWYNUCOOXJYDPU-UKRRQHHQSA-N 1 0 247.407 3.653 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426474217 384830002 /nfs/dbraw/zinc/83/00/02/384830002.db2.gz ZWYNUCOOXJYDPU-ZFWWWQNUSA-N 1 0 247.407 3.653 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)s1 ZINC000426477025 384831177 /nfs/dbraw/zinc/83/11/77/384831177.db2.gz YWXDOYJQNZJXFQ-GXSJLCMTSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)s1 ZINC000426477026 384831322 /nfs/dbraw/zinc/83/13/22/384831322.db2.gz YWXDOYJQNZJXFQ-KOLCDFICSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)s1 ZINC000426477027 384829508 /nfs/dbraw/zinc/82/95/08/384829508.db2.gz YWXDOYJQNZJXFQ-MWLCHTKSSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)s1 ZINC000426477028 384830086 /nfs/dbraw/zinc/83/00/86/384830086.db2.gz YWXDOYJQNZJXFQ-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO CC(C)CCC[N@H+](C)CCc1cccs1 ZINC000426477058 384830989 /nfs/dbraw/zinc/83/09/89/384830989.db2.gz ZGPWANOXBOGJFA-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO CC(C)CCC[N@H+](C)Cc1nc2ccccc2o1 ZINC000426477071 384831668 /nfs/dbraw/zinc/83/16/68/384831668.db2.gz ZLTOSDKEJJUDLQ-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO COc1cccc(C[N@H+](C)CCCC(C)C)c1 ZINC000426478368 387573409 /nfs/dbraw/zinc/57/34/09/387573409.db2.gz BEIXRCUWCOZESN-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)CSCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426478617 200988208 /nfs/dbraw/zinc/98/82/08/200988208.db2.gz DWXLHKLZMOQVBC-KBPBESRZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CSCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426478618 387573253 /nfs/dbraw/zinc/57/32/53/387573253.db2.gz DWXLHKLZMOQVBC-KGLIPLIRSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CSCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426478619 387574296 /nfs/dbraw/zinc/57/42/96/387574296.db2.gz DWXLHKLZMOQVBC-UONOGXRCSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CSCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426478620 387574805 /nfs/dbraw/zinc/57/48/05/387574805.db2.gz DWXLHKLZMOQVBC-ZIAGYGMSSA-N 1 0 241.444 3.640 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426480962 387574132 /nfs/dbraw/zinc/57/41/32/387574132.db2.gz XMHYAQFIHDQEMX-GHMZBOCLSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426480964 387574169 /nfs/dbraw/zinc/57/41/69/387574169.db2.gz XMHYAQFIHDQEMX-MNOVXSKESA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426480965 387574332 /nfs/dbraw/zinc/57/43/32/387574332.db2.gz XMHYAQFIHDQEMX-QWRGUYRKSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426480966 387573486 /nfs/dbraw/zinc/57/34/86/387573486.db2.gz XMHYAQFIHDQEMX-WDEREUQCSA-N 1 0 235.293 3.593 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426481481 387575306 /nfs/dbraw/zinc/57/53/06/387575306.db2.gz AHSUSAGWUTXOKR-DOMZBBRYSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426481482 387573078 /nfs/dbraw/zinc/57/30/78/387573078.db2.gz AHSUSAGWUTXOKR-IUODEOHRSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426481483 387574339 /nfs/dbraw/zinc/57/43/39/387574339.db2.gz AHSUSAGWUTXOKR-SWLSCSKDSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426481484 387573291 /nfs/dbraw/zinc/57/32/91/387573291.db2.gz AHSUSAGWUTXOKR-WFASDCNBSA-N 1 0 233.330 3.509 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426482935 387574205 /nfs/dbraw/zinc/57/42/05/387574205.db2.gz NNXNTYRTKYPRRU-DZGCQCFKSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426482936 387573987 /nfs/dbraw/zinc/57/39/87/387573987.db2.gz NNXNTYRTKYPRRU-HIFRSBDPSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426482937 387573479 /nfs/dbraw/zinc/57/34/79/387573479.db2.gz NNXNTYRTKYPRRU-UKRRQHHQSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426482938 387575161 /nfs/dbraw/zinc/57/51/61/387575161.db2.gz NNXNTYRTKYPRRU-ZFWWWQNUSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426482968 387573137 /nfs/dbraw/zinc/57/31/37/387573137.db2.gz HCHIZVREIOSHCC-GXTWGEPZSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426482969 387574143 /nfs/dbraw/zinc/57/41/43/387574143.db2.gz HCHIZVREIOSHCC-JSGCOSHPSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426482970 387574149 /nfs/dbraw/zinc/57/41/49/387574149.db2.gz HCHIZVREIOSHCC-OCCSQVGLSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426482971 387575096 /nfs/dbraw/zinc/57/50/96/387575096.db2.gz HCHIZVREIOSHCC-TZMCWYRMSA-N 1 0 247.407 3.783 20 0 BHADRO C[N@H+](Cc1ccsc1)C1(C)CCCC1 ZINC000426494744 387577086 /nfs/dbraw/zinc/57/70/86/387577086.db2.gz CIBBOFZYFPSPQF-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)C1(C)CCCC1 ZINC000426494956 387577482 /nfs/dbraw/zinc/57/74/82/387577482.db2.gz IOXNVEODXZAFRJ-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](C[C@H]1CC=CCC1)C1(C)CCCC1 ZINC000426494957 387577257 /nfs/dbraw/zinc/57/72/57/387577257.db2.gz IOXNVEODXZAFRJ-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)C1(C)CCCC1 ZINC000426495153 387577537 /nfs/dbraw/zinc/57/75/37/387577537.db2.gz JSQFKMIPIRLMLL-UHFFFAOYSA-N 1 0 227.735 3.698 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)C1(C)CCCC1 ZINC000426495328 387577067 /nfs/dbraw/zinc/57/70/67/387577067.db2.gz GGBGCSVGHRXXEH-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CCOc1cccc(C[N@H+](C)C2(C)CCCC2)c1 ZINC000426495989 387576494 /nfs/dbraw/zinc/57/64/94/387576494.db2.gz NATNMNKILOVIQM-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO COc1ccsc1C[N@H+](C)C1(C)CCCC1 ZINC000426504100 191093467 /nfs/dbraw/zinc/09/34/67/191093467.db2.gz KVMPHARIHAQCDG-UHFFFAOYSA-N 1 0 239.384 3.521 20 0 BHADRO COc1ccc(C[N@H+](C)C2(C)CCCC2)cc1C ZINC000426506258 191093764 /nfs/dbraw/zinc/09/37/64/191093764.db2.gz DGDIVHUWUNZSMJ-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2(C)CCCC2)s1 ZINC000426509284 387575715 /nfs/dbraw/zinc/57/57/15/387575715.db2.gz LZGQQBHSBNJFSC-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426519724 191095394 /nfs/dbraw/zinc/09/53/94/191095394.db2.gz CEUHTCNQVFKALE-GDBMZVCRSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426519725 191096403 /nfs/dbraw/zinc/09/64/03/191096403.db2.gz CEUHTCNQVFKALE-GOEBONIOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426519726 191096354 /nfs/dbraw/zinc/09/63/54/191096354.db2.gz CEUHTCNQVFKALE-HOCLYGCPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426519727 191096221 /nfs/dbraw/zinc/09/62/21/191096221.db2.gz CEUHTCNQVFKALE-ZBFHGGJFSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426524028 387578329 /nfs/dbraw/zinc/57/83/29/387578329.db2.gz NITSNAUKZKDLPM-CVEARBPZSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426524029 387579125 /nfs/dbraw/zinc/57/91/25/387579125.db2.gz NITSNAUKZKDLPM-HOTGVXAUSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426524030 387578112 /nfs/dbraw/zinc/57/81/12/387578112.db2.gz NITSNAUKZKDLPM-HZPDHXFCSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426524031 387577187 /nfs/dbraw/zinc/57/71/87/387577187.db2.gz NITSNAUKZKDLPM-JKSUJKDBSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccsc1C[N@@H+](C)C1(C)CCCC1 ZINC000426528280 387578400 /nfs/dbraw/zinc/57/84/00/387578400.db2.gz DKHBOAXPZMATNK-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO C[N@H+](Cc1cccc2cc[nH]c21)C1(C)CCCC1 ZINC000426531962 387578071 /nfs/dbraw/zinc/57/80/71/387578071.db2.gz ULSIFEXSDFDVRP-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CC2(C)C)o1 ZINC000426536665 191096968 /nfs/dbraw/zinc/09/69/68/191096968.db2.gz CBZBNPUQIYQJBS-MPKXVKKWSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CC2(C)C)o1 ZINC000426536670 191096563 /nfs/dbraw/zinc/09/65/63/191096563.db2.gz CBZBNPUQIYQJBS-OSMZGAPFSA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@H]2CC2(C)C)o1 ZINC000426536671 191097786 /nfs/dbraw/zinc/09/77/86/191097786.db2.gz CBZBNPUQIYQJBS-QKCSRTOESA-N 1 0 233.355 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC2(C)C)o1 ZINC000426536672 191097056 /nfs/dbraw/zinc/09/70/56/191097056.db2.gz CBZBNPUQIYQJBS-SCDSUCTJSA-N 1 0 233.355 3.633 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000426541842 387580086 /nfs/dbraw/zinc/58/00/86/387580086.db2.gz WQURUNXDSQXKOR-ISZGNANSSA-N 1 0 233.330 3.569 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000426541870 387581104 /nfs/dbraw/zinc/58/11/04/387581104.db2.gz WQURUNXDSQXKOR-NNTXTVRGSA-N 1 0 233.330 3.569 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000426541871 387579692 /nfs/dbraw/zinc/57/96/92/387579692.db2.gz WQURUNXDSQXKOR-WSNITJDQSA-N 1 0 233.330 3.569 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000426541872 387581478 /nfs/dbraw/zinc/58/14/78/387581478.db2.gz WQURUNXDSQXKOR-ZRUQZJFASA-N 1 0 233.330 3.569 20 0 BHADRO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)[C@H]1CC1(C)C ZINC000426549949 387580925 /nfs/dbraw/zinc/58/09/25/387580925.db2.gz UZGGIPNYVZORBB-AWEZNQCLSA-N 1 0 246.329 3.537 20 0 BHADRO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CC1(C)C ZINC000426549950 387580179 /nfs/dbraw/zinc/58/01/79/387580179.db2.gz UZGGIPNYVZORBB-CQSZACIVSA-N 1 0 246.329 3.537 20 0 BHADRO C[N@H+](Cc1cc(Cl)cs1)[C@H]1CC1(C)C ZINC000426561678 206052117 /nfs/dbraw/zinc/05/21/17/206052117.db2.gz OYSGTTHJAHAXND-JTQLQIEISA-N 1 0 229.776 3.632 20 0 BHADRO C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CC1(C)C ZINC000426561679 206052630 /nfs/dbraw/zinc/05/26/30/206052630.db2.gz OYSGTTHJAHAXND-SNVBAGLBSA-N 1 0 229.776 3.632 20 0 BHADRO COc1cc(C[N@H+](C)C2(C)CCCC2)ccc1C ZINC000426563322 206051021 /nfs/dbraw/zinc/05/10/21/206051021.db2.gz WOHNFHKNSFBVIJ-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CCc1ccc(C[N@H+](C)C2(C)CCCC2)o1 ZINC000426563811 206051993 /nfs/dbraw/zinc/05/19/93/206051993.db2.gz YMZKBKABWPOJPL-UHFFFAOYSA-N 1 0 221.344 3.607 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@H]2CC2(C)C)cc1 ZINC000426566015 206053446 /nfs/dbraw/zinc/05/34/46/206053446.db2.gz QGHJDHOTHQKNHJ-DOMZBBRYSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC2(C)C)cc1 ZINC000426566017 206051329 /nfs/dbraw/zinc/05/13/29/206051329.db2.gz QGHJDHOTHQKNHJ-IUODEOHRSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@@H]2CC2(C)C)cc1 ZINC000426566019 206052297 /nfs/dbraw/zinc/05/22/97/206052297.db2.gz QGHJDHOTHQKNHJ-SWLSCSKDSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@H]2CC2(C)C)cc1 ZINC000426566020 206053065 /nfs/dbraw/zinc/05/30/65/206053065.db2.gz QGHJDHOTHQKNHJ-WFASDCNBSA-N 1 0 247.382 3.529 20 0 BHADRO C[N@H+](Cc1cc2c(cccc2F)[nH]1)[C@H]1CC1(C)C ZINC000426577585 206052331 /nfs/dbraw/zinc/05/23/31/206052331.db2.gz DBSKACCBXANQBH-AWEZNQCLSA-N 1 0 246.329 3.537 20 0 BHADRO C[N@H+](Cc1cc2c(cccc2F)[nH]1)[C@@H]1CC1(C)C ZINC000426577586 206052177 /nfs/dbraw/zinc/05/21/77/206052177.db2.gz DBSKACCBXANQBH-CQSZACIVSA-N 1 0 246.329 3.537 20 0 BHADRO C[N@H+](Cc1coc2ccccc12)[C@H]1CC1(C)C ZINC000426582371 360526398 /nfs/dbraw/zinc/52/63/98/360526398.db2.gz ZNFDMKKTQFPTMC-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO C[N@H+](Cc1coc2ccccc12)[C@@H]1CC1(C)C ZINC000426582372 360526571 /nfs/dbraw/zinc/52/65/71/360526571.db2.gz ZNFDMKKTQFPTMC-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO Cc1cccc(C[NH+]2CCC(C)(C(C)C)CC2)n1 ZINC000426732306 411282123 /nfs/dbraw/zinc/28/21/23/411282123.db2.gz SMPCRYJMHSDLSA-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccnc1C[NH+]1CCC(C)(C(C)C)CC1 ZINC000426741030 398220426 /nfs/dbraw/zinc/22/04/26/398220426.db2.gz CWQCSOLUEJBXGU-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)C1(C)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000426741540 398220647 /nfs/dbraw/zinc/22/06/47/398220647.db2.gz LVGBUHDAMBJVBL-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C1(C)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000426741541 398220600 /nfs/dbraw/zinc/22/06/00/398220600.db2.gz LVGBUHDAMBJVBL-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C1(C)CC[NH+](CCC(F)(F)F)CC1 ZINC000426741865 397982467 /nfs/dbraw/zinc/98/24/67/397982467.db2.gz HRIBINCOHDZLAU-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)C1(C)CC[NH+](CCOC(C)(C)C)CC1 ZINC000426745031 398220330 /nfs/dbraw/zinc/22/03/30/398220330.db2.gz SKBIZGIHSRHNIB-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426753506 200999171 /nfs/dbraw/zinc/99/91/71/200999171.db2.gz IVBOJUASNGKUCY-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C)(C(C)C)CC2)nc1 ZINC000426767427 384890581 /nfs/dbraw/zinc/89/05/81/384890581.db2.gz MTVFZZVOABXNQF-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)OCCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426779952 191046775 /nfs/dbraw/zinc/04/67/75/191046775.db2.gz MVIWJEMVVODQPI-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CCC1 ZINC000427593569 191082683 /nfs/dbraw/zinc/08/26/83/191082683.db2.gz LJYRXOHEFMRSQA-INIZCTEOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CCC1 ZINC000427593570 191082993 /nfs/dbraw/zinc/08/29/93/191082993.db2.gz LJYRXOHEFMRSQA-MRXNPFEDSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2CC2)C2CCC2)cc1 ZINC000427598108 191083267 /nfs/dbraw/zinc/08/32/67/191083267.db2.gz AVQKPRYRBIDMOV-INIZCTEOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2CC2)C2CCC2)cc1 ZINC000427598109 191083094 /nfs/dbraw/zinc/08/30/94/191083094.db2.gz AVQKPRYRBIDMOV-MRXNPFEDSA-N 1 0 229.367 3.836 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000427599544 191082639 /nfs/dbraw/zinc/08/26/39/191082639.db2.gz BBSIYKORCJCUCH-INIZCTEOSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000427599548 191083097 /nfs/dbraw/zinc/08/30/97/191083097.db2.gz BBSIYKORCJCUCH-MRXNPFEDSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000427604990 191083019 /nfs/dbraw/zinc/08/30/19/191083019.db2.gz UYYMFQLKHDVTLN-INIZCTEOSA-N 1 0 243.350 3.637 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000427604991 191083285 /nfs/dbraw/zinc/08/32/85/191083285.db2.gz UYYMFQLKHDVTLN-MRXNPFEDSA-N 1 0 243.350 3.637 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000427617757 384848192 /nfs/dbraw/zinc/84/81/92/384848192.db2.gz KCKDCSZWMHIFCG-INIZCTEOSA-N 1 0 243.350 3.637 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000427617758 384848045 /nfs/dbraw/zinc/84/80/45/384848045.db2.gz KCKDCSZWMHIFCG-MRXNPFEDSA-N 1 0 243.350 3.637 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000427619393 384844460 /nfs/dbraw/zinc/84/44/60/384844460.db2.gz YDULNLGPAHEQBI-BBRMVZONSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000427619395 200696149 /nfs/dbraw/zinc/69/61/49/200696149.db2.gz YDULNLGPAHEQBI-CJNGLKHVSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000427619397 384843911 /nfs/dbraw/zinc/84/39/11/384843911.db2.gz YDULNLGPAHEQBI-CZUORRHYSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000427619398 384845210 /nfs/dbraw/zinc/84/52/10/384845210.db2.gz YDULNLGPAHEQBI-XJKSGUPXSA-N 1 0 231.383 3.642 20 0 BHADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC1)CCS2 ZINC000427691857 191088553 /nfs/dbraw/zinc/08/85/53/191088553.db2.gz WVGBKKJGAWWGTA-AWEZNQCLSA-N 1 0 247.407 3.982 20 0 BHADRO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC1)CCS2 ZINC000427691858 191088066 /nfs/dbraw/zinc/08/80/66/191088066.db2.gz WVGBKKJGAWWGTA-CQSZACIVSA-N 1 0 247.407 3.982 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CCC2)C2CCC2)cc1 ZINC000427692063 191088536 /nfs/dbraw/zinc/08/85/36/191088536.db2.gz YMQVGHKMGYPCLK-INIZCTEOSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CCC2)C2CCC2)cc1 ZINC000427692064 191087998 /nfs/dbraw/zinc/08/79/98/191087998.db2.gz YMQVGHKMGYPCLK-MRXNPFEDSA-N 1 0 229.367 3.978 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCC1CC1 ZINC000427692919 635847604 /nfs/dbraw/zinc/84/76/04/635847604.db2.gz CASLYSATSBWUAM-INIZCTEOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000427692991 191088710 /nfs/dbraw/zinc/08/87/10/191088710.db2.gz FRGPPFVQPKINOC-AVVWSFFYSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000427692992 191088595 /nfs/dbraw/zinc/08/85/95/191088595.db2.gz FRGPPFVQPKINOC-BCLQGDPASA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC1CC1 ZINC000427693020 635847637 /nfs/dbraw/zinc/84/76/37/635847637.db2.gz CASLYSATSBWUAM-MRXNPFEDSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]CC1(C)CC1 ZINC000427697134 191088468 /nfs/dbraw/zinc/08/84/68/191088468.db2.gz PUOPRXUWTNHCSP-HNNXBMFYSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC1 ZINC000427697135 191088190 /nfs/dbraw/zinc/08/81/90/191088190.db2.gz PUOPRXUWTNHCSP-OAHLLOKOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000427708432 191089031 /nfs/dbraw/zinc/08/90/31/191089031.db2.gz ZAWAECZCFOMPNJ-DLBZAZTESA-N 1 0 243.394 3.952 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000427708433 191088944 /nfs/dbraw/zinc/08/89/44/191088944.db2.gz ZAWAECZCFOMPNJ-IAGOWNOFSA-N 1 0 243.394 3.952 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC=CCC1 ZINC000427708434 191089204 /nfs/dbraw/zinc/08/92/04/191089204.db2.gz ZAWAECZCFOMPNJ-IRXDYDNUSA-N 1 0 243.394 3.952 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC=CCC1 ZINC000427708435 191089461 /nfs/dbraw/zinc/08/94/61/191089461.db2.gz ZAWAECZCFOMPNJ-SJORKVTESA-N 1 0 243.394 3.952 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000427867425 191096930 /nfs/dbraw/zinc/09/69/30/191096930.db2.gz BKNHVCNRRPMOTG-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000427867427 191096665 /nfs/dbraw/zinc/09/66/65/191096665.db2.gz BKNHVCNRRPMOTG-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)COCC)C1CCCCC1 ZINC000427873872 191098485 /nfs/dbraw/zinc/09/84/85/191098485.db2.gz LWZBLDTUNOOIME-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)COCC)C1CCCCC1 ZINC000427873873 191098667 /nfs/dbraw/zinc/09/86/67/191098667.db2.gz LWZBLDTUNOOIME-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000427879191 191099020 /nfs/dbraw/zinc/09/90/20/191099020.db2.gz BQHPZEAUGDEGFT-IPYPFGDCSA-N 1 0 247.382 3.558 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000427879194 191098430 /nfs/dbraw/zinc/09/84/30/191098430.db2.gz BQHPZEAUGDEGFT-KCQAQPDRSA-N 1 0 247.382 3.558 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000427879196 191098272 /nfs/dbraw/zinc/09/82/72/191098272.db2.gz BQHPZEAUGDEGFT-VNHYZAJKSA-N 1 0 247.382 3.558 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000427879198 191098713 /nfs/dbraw/zinc/09/87/13/191098713.db2.gz BQHPZEAUGDEGFT-YDHLFZDLSA-N 1 0 247.382 3.558 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427975188 384255106 /nfs/dbraw/zinc/25/51/06/384255106.db2.gz HDAXEVCKLOYJRP-KBPBESRZSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427975191 384255109 /nfs/dbraw/zinc/25/51/09/384255109.db2.gz HDAXEVCKLOYJRP-KGLIPLIRSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427975193 384256239 /nfs/dbraw/zinc/25/62/39/384256239.db2.gz HDAXEVCKLOYJRP-UONOGXRCSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427975194 219855934 /nfs/dbraw/zinc/85/59/34/219855934.db2.gz HDAXEVCKLOYJRP-ZIAGYGMSSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427979945 384261394 /nfs/dbraw/zinc/26/13/94/384261394.db2.gz KRSFPSCFFCRMJN-GXTWGEPZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427979946 384260512 /nfs/dbraw/zinc/26/05/12/384260512.db2.gz KRSFPSCFFCRMJN-JSGCOSHPSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427979947 219856377 /nfs/dbraw/zinc/85/63/77/219856377.db2.gz KRSFPSCFFCRMJN-OCCSQVGLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427979948 384261131 /nfs/dbraw/zinc/26/11/31/384261131.db2.gz KRSFPSCFFCRMJN-TZMCWYRMSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+]C2CC(OC(C)C)C2)CCC1 ZINC000428081745 386202397 /nfs/dbraw/zinc/20/23/97/386202397.db2.gz VSEFQMCHSVOPCE-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C[NH2+]C2CC(OC(C)C)C2)CCCC1 ZINC000428085771 386186713 /nfs/dbraw/zinc/18/67/13/386186713.db2.gz BNOKTWJNHXNYAN-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)OC1CC([NH2+]CCCC2CCCC2)C1 ZINC000428087866 386188085 /nfs/dbraw/zinc/18/80/85/386188085.db2.gz GNAJWYJOZAVZGM-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)O[C@@H](C[N@H+](C)C1CCC1)c1ccccc1 ZINC000428214281 398222443 /nfs/dbraw/zinc/22/24/43/398222443.db2.gz CBKWTYBWFLDDCA-INIZCTEOSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@H](C[N@H+](C)C1CCC1)c1ccccc1 ZINC000428214282 398222825 /nfs/dbraw/zinc/22/28/25/398222825.db2.gz CBKWTYBWFLDDCA-MRXNPFEDSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@H+](C)CC(C)(C)C ZINC000428229555 206054410 /nfs/dbraw/zinc/05/44/10/206054410.db2.gz NGWPEFDJPAACSJ-UHFFFAOYSA-N 1 0 238.375 3.584 20 0 BHADRO CC(C)O[C@H](C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000428241489 206055934 /nfs/dbraw/zinc/05/59/34/206055934.db2.gz KIRUMURUCHVIEG-GDBMZVCRSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@H](C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000428241490 206057132 /nfs/dbraw/zinc/05/71/32/206057132.db2.gz KIRUMURUCHVIEG-GOEBONIOSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000428241492 206057141 /nfs/dbraw/zinc/05/71/41/206057141.db2.gz KIRUMURUCHVIEG-HOCLYGCPSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@@H](C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000428241495 206056283 /nfs/dbraw/zinc/05/62/83/206056283.db2.gz KIRUMURUCHVIEG-ZBFHGGJFSA-N 1 0 247.382 3.637 20 0 BHADRO C[N@H+](CCCC1CCCCC1)Cc1ccccn1 ZINC000428266450 201004308 /nfs/dbraw/zinc/00/43/08/201004308.db2.gz DJCAZYSSKAEZLZ-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000428267137 201004091 /nfs/dbraw/zinc/00/40/91/201004091.db2.gz HCCKUYYJEXCKDR-DZGCQCFKSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000428267154 201003999 /nfs/dbraw/zinc/00/39/99/201003999.db2.gz HCCKUYYJEXCKDR-HIFRSBDPSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000428267155 201004135 /nfs/dbraw/zinc/00/41/35/201004135.db2.gz HCCKUYYJEXCKDR-UKRRQHHQSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000428267156 201004699 /nfs/dbraw/zinc/00/46/99/201004699.db2.gz HCCKUYYJEXCKDR-ZFWWWQNUSA-N 1 0 244.382 3.506 20 0 BHADRO C[N@H+](CCCC1CCCCC1)Cc1cccnc1 ZINC000428274397 201005477 /nfs/dbraw/zinc/00/54/77/201005477.db2.gz IFLWEIJKQGXBIC-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428276327 201006219 /nfs/dbraw/zinc/00/62/19/201006219.db2.gz IUPYTYOQCTWEEW-BBRMVZONSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428276328 201005849 /nfs/dbraw/zinc/00/58/49/201005849.db2.gz IUPYTYOQCTWEEW-CJNGLKHVSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428276329 201006529 /nfs/dbraw/zinc/00/65/29/201006529.db2.gz IUPYTYOQCTWEEW-CZUORRHYSA-N 1 0 244.382 3.506 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428276330 201005147 /nfs/dbraw/zinc/00/51/47/201005147.db2.gz IUPYTYOQCTWEEW-XJKSGUPXSA-N 1 0 244.382 3.506 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000428285306 201005224 /nfs/dbraw/zinc/00/52/24/201005224.db2.gz OBKKSXLLOQZEEK-ILXRZTDVSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000428285307 201005592 /nfs/dbraw/zinc/00/55/92/201005592.db2.gz OBKKSXLLOQZEEK-KKUMJFAQSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000428285308 201006051 /nfs/dbraw/zinc/00/60/51/201006051.db2.gz OBKKSXLLOQZEEK-QLFBSQMISA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000428285309 201005726 /nfs/dbraw/zinc/00/57/26/201005726.db2.gz OBKKSXLLOQZEEK-SOUVJXGZSA-N 1 0 241.419 3.772 20 0 BHADRO c1ccc(CSCC[NH2+][C@H]2C=CCCC2)cc1 ZINC000428286634 201005236 /nfs/dbraw/zinc/00/52/36/201005236.db2.gz KQXXGGUGNNPMBV-HNNXBMFYSA-N 1 0 247.407 3.618 20 0 BHADRO c1ccc(CSCC[NH2+][C@@H]2C=CCCC2)cc1 ZINC000428286636 201006073 /nfs/dbraw/zinc/00/60/73/201006073.db2.gz KQXXGGUGNNPMBV-OAHLLOKOSA-N 1 0 247.407 3.618 20 0 BHADRO CCCc1nc(C)c(C[NH+](C(C)C)C(C)C)o1 ZINC000428309748 201008123 /nfs/dbraw/zinc/00/81/23/201008123.db2.gz LXTORXSYAVPZFZ-UHFFFAOYSA-N 1 0 238.375 3.554 20 0 BHADRO Cc1nc(C(C)C)oc1C[NH+](C(C)C)C(C)C ZINC000428314032 201007099 /nfs/dbraw/zinc/00/70/99/201007099.db2.gz YUKDOCVIKQPWRW-UHFFFAOYSA-N 1 0 238.375 3.725 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1oc(C(C)C)nc1C ZINC000428316753 191083167 /nfs/dbraw/zinc/08/31/67/191083167.db2.gz AMKWFNPKLYBHRQ-GHMZBOCLSA-N 1 0 238.375 3.631 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1oc(C(C)C)nc1C ZINC000428316756 191083178 /nfs/dbraw/zinc/08/31/78/191083178.db2.gz AMKWFNPKLYBHRQ-MNOVXSKESA-N 1 0 238.375 3.631 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1oc(C(C)C)nc1C ZINC000428316759 191082988 /nfs/dbraw/zinc/08/29/88/191082988.db2.gz AMKWFNPKLYBHRQ-QWRGUYRKSA-N 1 0 238.375 3.631 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1oc(C(C)C)nc1C ZINC000428316760 191083151 /nfs/dbraw/zinc/08/31/51/191083151.db2.gz AMKWFNPKLYBHRQ-WDEREUQCSA-N 1 0 238.375 3.631 20 0 BHADRO CCc1nc(C)c(C[NH2+]C(CC)(CC)CC)o1 ZINC000428375799 201011813 /nfs/dbraw/zinc/01/18/13/201011813.db2.gz UIDRCBJYNKEQMC-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428388011 191104669 /nfs/dbraw/zinc/10/46/69/191104669.db2.gz HSYWVRYMRSLLLB-GDBMZVCRSA-N 1 0 249.398 3.883 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428388013 191104494 /nfs/dbraw/zinc/10/44/94/191104494.db2.gz HSYWVRYMRSLLLB-GOEBONIOSA-N 1 0 249.398 3.883 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428388017 191104698 /nfs/dbraw/zinc/10/46/98/191104698.db2.gz HSYWVRYMRSLLLB-HOCLYGCPSA-N 1 0 249.398 3.883 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428388019 191104259 /nfs/dbraw/zinc/10/42/59/191104259.db2.gz HSYWVRYMRSLLLB-ZBFHGGJFSA-N 1 0 249.398 3.883 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428391665 386519820 /nfs/dbraw/zinc/51/98/20/386519820.db2.gz XNXVCEDPFYZBFD-UHFFFAOYSA-N 1 0 238.375 3.727 20 0 BHADRO CCCc1nc(C)c(C[N@H+](C)C(C)(C)CC)o1 ZINC000428398361 201012756 /nfs/dbraw/zinc/01/27/56/201012756.db2.gz HLGIRAPCSRJODL-UHFFFAOYSA-N 1 0 238.375 3.556 20 0 BHADRO CC(C)O[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000428436492 201016534 /nfs/dbraw/zinc/01/65/34/201016534.db2.gz QKXJXXLOWYDKLS-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)O[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000428436494 201015923 /nfs/dbraw/zinc/01/59/23/201015923.db2.gz QKXJXXLOWYDKLS-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@@H+](C)[C@H](C)C(C)C ZINC000428444786 201017418 /nfs/dbraw/zinc/01/74/18/201017418.db2.gz DBNRMHNPCFFNMY-GFCCVEGCSA-N 1 0 238.375 3.583 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000428444788 201015480 /nfs/dbraw/zinc/01/54/80/201015480.db2.gz DBNRMHNPCFFNMY-LBPRGKRZSA-N 1 0 238.375 3.583 20 0 BHADRO CC[N@@H+](Cc1oc(C(C)C)nc1C)CC(C)C ZINC000428451908 201018110 /nfs/dbraw/zinc/01/81/10/201018110.db2.gz HDOQMWNOGMWPTD-UHFFFAOYSA-N 1 0 238.375 3.584 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CC[C@@H]3CCC[C@H]32)[nH]1 ZINC000428451956 201017165 /nfs/dbraw/zinc/01/71/65/201017165.db2.gz HSEPSFMYZPBADR-BLLLJJGKSA-N 1 0 240.350 3.542 20 0 BHADRO CCCc1nc(C)c(C[N@@H+](C)[C@H](C)CCC)o1 ZINC000428452263 191074588 /nfs/dbraw/zinc/07/45/88/191074588.db2.gz ANPKGANCYZCPNB-LLVKDONJSA-N 1 0 238.375 3.556 20 0 BHADRO CCCc1nc(C)c(C[N@@H+](C)[C@@H](C)CCC)o1 ZINC000428452264 191075319 /nfs/dbraw/zinc/07/53/19/191075319.db2.gz ANPKGANCYZCPNB-NSHDSACASA-N 1 0 238.375 3.556 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1C ZINC000428452598 201017905 /nfs/dbraw/zinc/01/79/05/201017905.db2.gz MJQLEQNTKXGYJH-CVEARBPZSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1C ZINC000428452599 201018293 /nfs/dbraw/zinc/01/82/93/201018293.db2.gz MJQLEQNTKXGYJH-HOTGVXAUSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1C ZINC000428452600 201019938 /nfs/dbraw/zinc/01/99/38/201019938.db2.gz MJQLEQNTKXGYJH-HZPDHXFCSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1C ZINC000428452601 201019482 /nfs/dbraw/zinc/01/94/82/201019482.db2.gz MJQLEQNTKXGYJH-JKSUJKDBSA-N 1 0 229.367 3.678 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428452865 201020319 /nfs/dbraw/zinc/02/03/19/201020319.db2.gz DFUZSAXBNUYCAU-LLVKDONJSA-N 1 0 238.375 3.727 20 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3.558 20 0 BHADRO c1cc2cccc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)c2[nH]1 ZINC000428455311 201021017 /nfs/dbraw/zinc/02/10/17/201021017.db2.gz FZTPNXSQQXWSAQ-SWLSCSKDSA-N 1 0 240.350 3.542 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(C)c1 ZINC000428455362 201019624 /nfs/dbraw/zinc/01/96/24/201019624.db2.gz FKZAZBXZEGIJNE-GDBMZVCRSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(C)c1 ZINC000428455363 201019605 /nfs/dbraw/zinc/01/96/05/201019605.db2.gz FKZAZBXZEGIJNE-GOEBONIOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000428455365 191075310 /nfs/dbraw/zinc/07/53/10/191075310.db2.gz FKZAZBXZEGIJNE-HOCLYGCPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(C)c1 ZINC000428455366 191074544 /nfs/dbraw/zinc/07/45/44/191074544.db2.gz FKZAZBXZEGIJNE-ZBFHGGJFSA-N 1 0 229.367 3.678 20 0 BHADRO CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428455786 201020401 /nfs/dbraw/zinc/02/04/01/201020401.db2.gz UCNWFQBYDQQAKU-INIZCTEOSA-N 1 0 247.382 3.637 20 0 BHADRO CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428455789 201019011 /nfs/dbraw/zinc/01/90/11/201019011.db2.gz UCNWFQBYDQQAKU-MRXNPFEDSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)C[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428455938 201019647 /nfs/dbraw/zinc/01/96/47/201019647.db2.gz DPGMEZMSUAITHH-INIZCTEOSA-N 1 0 249.398 3.741 20 0 BHADRO CC(C)C[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428455939 201019272 /nfs/dbraw/zinc/01/92/72/201019272.db2.gz DPGMEZMSUAITHH-MRXNPFEDSA-N 1 0 249.398 3.741 20 0 BHADRO CCCC[N@H+](CC)Cc1oc(C(C)C)nc1C ZINC000428457280 201019241 /nfs/dbraw/zinc/01/92/41/201019241.db2.gz JULBTNLVRAKVEG-UHFFFAOYSA-N 1 0 238.375 3.728 20 0 BHADRO CCCc1nc(C)c(C[NH+](CCC)CCC)o1 ZINC000428457353 201019385 /nfs/dbraw/zinc/01/93/85/201019385.db2.gz AGJIOXSKFQGLLG-UHFFFAOYSA-N 1 0 238.375 3.558 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428457528 201019544 /nfs/dbraw/zinc/01/95/44/201019544.db2.gz JVPVTATZWWXULR-DOMZBBRYSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000428457532 201021030 /nfs/dbraw/zinc/02/10/30/201021030.db2.gz JVPVTATZWWXULR-IUODEOHRSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428457535 201020653 /nfs/dbraw/zinc/02/06/53/201020653.db2.gz JVPVTATZWWXULR-SWLSCSKDSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428457537 201019143 /nfs/dbraw/zinc/01/91/43/201019143.db2.gz JVPVTATZWWXULR-WFASDCNBSA-N 1 0 233.330 3.509 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000428457553 201020468 /nfs/dbraw/zinc/02/04/68/201020468.db2.gz JXMNPGBNIXDSRL-NCOADZHNSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000428457554 201020767 /nfs/dbraw/zinc/02/07/67/201020767.db2.gz JXMNPGBNIXDSRL-VVLHAWIVSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000428457555 201020283 /nfs/dbraw/zinc/02/02/83/201020283.db2.gz JXMNPGBNIXDSRL-WCXIOVBPSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000428457556 201020962 /nfs/dbraw/zinc/02/09/62/201020962.db2.gz JXMNPGBNIXDSRL-YVSFHVDLSA-N 1 0 241.378 3.665 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1C ZINC000428458221 201020878 /nfs/dbraw/zinc/02/08/78/201020878.db2.gz KVYPATKDPXNAJW-GDBMZVCRSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1C ZINC000428458222 201019601 /nfs/dbraw/zinc/01/96/01/201019601.db2.gz KVYPATKDPXNAJW-GOEBONIOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1C ZINC000428458224 201019676 /nfs/dbraw/zinc/01/96/76/201019676.db2.gz KVYPATKDPXNAJW-HOCLYGCPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1C ZINC000428458227 201020772 /nfs/dbraw/zinc/02/07/72/201020772.db2.gz KVYPATKDPXNAJW-ZBFHGGJFSA-N 1 0 229.367 3.678 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428458357 201021002 /nfs/dbraw/zinc/02/10/02/201021002.db2.gz YJEINQVOQWDLOB-DOMZBBRYSA-N 1 0 241.334 3.807 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000428458361 201020901 /nfs/dbraw/zinc/02/09/01/201020901.db2.gz YJEINQVOQWDLOB-IUODEOHRSA-N 1 0 241.334 3.807 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428458366 201019705 /nfs/dbraw/zinc/01/97/05/201019705.db2.gz YJEINQVOQWDLOB-SWLSCSKDSA-N 1 0 241.334 3.807 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428458372 201019422 /nfs/dbraw/zinc/01/94/22/201019422.db2.gz YJEINQVOQWDLOB-WFASDCNBSA-N 1 0 241.334 3.807 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000428460370 384612379 /nfs/dbraw/zinc/61/23/79/384612379.db2.gz NDISYMGBQHVPCC-DOMZBBRYSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000428460371 384610411 /nfs/dbraw/zinc/61/04/11/384610411.db2.gz NDISYMGBQHVPCC-IUODEOHRSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000428460372 384611843 /nfs/dbraw/zinc/61/18/43/384611843.db2.gz NDISYMGBQHVPCC-SWLSCSKDSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428460373 384611056 /nfs/dbraw/zinc/61/10/56/384611056.db2.gz NDISYMGBQHVPCC-WFASDCNBSA-N 1 0 233.330 3.509 20 0 BHADRO CCC[NH+](CCC)Cc1oc(C(C)C)nc1C ZINC000428460509 201019278 /nfs/dbraw/zinc/01/92/78/201019278.db2.gz GYWUGSQPNICBCD-UHFFFAOYSA-N 1 0 238.375 3.728 20 0 BHADRO CCC[N@H+](CC)C[C@H](OC(C)C)c1ccccc1 ZINC000428461090 201020732 /nfs/dbraw/zinc/02/07/32/201020732.db2.gz HQXZWRKLJHNVJA-INIZCTEOSA-N 1 0 249.398 3.885 20 0 BHADRO CCC[N@H+](CC)C[C@@H](OC(C)C)c1ccccc1 ZINC000428461091 201021041 /nfs/dbraw/zinc/02/10/41/201021041.db2.gz HQXZWRKLJHNVJA-MRXNPFEDSA-N 1 0 249.398 3.885 20 0 BHADRO CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C(C)C ZINC000428461258 201020154 /nfs/dbraw/zinc/02/01/54/201020154.db2.gz IULNRJFLHVSKHJ-INIZCTEOSA-N 1 0 249.398 3.883 20 0 BHADRO CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)C(C)C ZINC000428461259 201020567 /nfs/dbraw/zinc/02/05/67/201020567.db2.gz IULNRJFLHVSKHJ-MRXNPFEDSA-N 1 0 249.398 3.883 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000428462748 191077494 /nfs/dbraw/zinc/07/74/94/191077494.db2.gz QTSOHWXROHXFMK-DHMWGJHJSA-N 1 0 245.366 3.777 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)o1 ZINC000428462752 191076697 /nfs/dbraw/zinc/07/66/97/191076697.db2.gz QTSOHWXROHXFMK-PAPYEOQZSA-N 1 0 245.366 3.777 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)o1 ZINC000428462754 191077353 /nfs/dbraw/zinc/07/73/53/191077353.db2.gz QTSOHWXROHXFMK-RJZRQDKASA-N 1 0 245.366 3.777 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)o1 ZINC000428462757 191077061 /nfs/dbraw/zinc/07/70/61/191077061.db2.gz QTSOHWXROHXFMK-UXOAXIEHSA-N 1 0 245.366 3.777 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1F ZINC000428462935 201019792 /nfs/dbraw/zinc/01/97/92/201019792.db2.gz UWWYBTVOXBCYLX-DZGCQCFKSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1F ZINC000428462937 201020383 /nfs/dbraw/zinc/02/03/83/201020383.db2.gz UWWYBTVOXBCYLX-HIFRSBDPSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1F ZINC000428462939 201020602 /nfs/dbraw/zinc/02/06/02/201020602.db2.gz UWWYBTVOXBCYLX-UKRRQHHQSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000428462940 201019381 /nfs/dbraw/zinc/01/93/81/201019381.db2.gz UWWYBTVOXBCYLX-ZFWWWQNUSA-N 1 0 233.330 3.509 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000428467185 384649043 /nfs/dbraw/zinc/64/90/43/384649043.db2.gz ZEKXCDVQFAMZSR-JCSQBOLZSA-N 1 0 245.341 3.713 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000428467186 384649709 /nfs/dbraw/zinc/64/97/09/384649709.db2.gz ZEKXCDVQFAMZSR-NVSCJIMHSA-N 1 0 245.341 3.713 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000428467188 200693082 /nfs/dbraw/zinc/69/30/82/200693082.db2.gz ZEKXCDVQFAMZSR-OZRQEOMLSA-N 1 0 245.341 3.713 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000428467189 384648365 /nfs/dbraw/zinc/64/83/65/384648365.db2.gz ZEKXCDVQFAMZSR-PCYIJXPVSA-N 1 0 245.341 3.713 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1F ZINC000428467223 201022560 /nfs/dbraw/zinc/02/25/60/201022560.db2.gz ZGQNRBSAQFJYDG-DZGCQCFKSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1F ZINC000428467225 384649845 /nfs/dbraw/zinc/64/98/45/384649845.db2.gz ZGQNRBSAQFJYDG-HIFRSBDPSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1F ZINC000428467227 384649296 /nfs/dbraw/zinc/64/92/96/384649296.db2.gz ZGQNRBSAQFJYDG-UKRRQHHQSA-N 1 0 233.330 3.509 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1F ZINC000428467230 384649174 /nfs/dbraw/zinc/64/91/74/384649174.db2.gz ZGQNRBSAQFJYDG-ZFWWWQNUSA-N 1 0 233.330 3.509 20 0 BHADRO COc1ccccc1C[N@H+](C)CCCC(C)C ZINC000428468856 201021554 /nfs/dbraw/zinc/02/15/54/201021554.db2.gz QQIGZUOEFSFTSG-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H](C)c1cnc(C)cn1 ZINC000428472790 201021187 /nfs/dbraw/zinc/02/11/87/201021187.db2.gz JTIIYPVUMYHESU-CYBMUJFWSA-N 1 0 249.402 3.604 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H](C)c1cnc(C)cn1 ZINC000428472792 201022082 /nfs/dbraw/zinc/02/20/82/201022082.db2.gz JTIIYPVUMYHESU-ZDUSSCGKSA-N 1 0 249.402 3.604 20 0 BHADRO CCCC[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428474009 191078723 /nfs/dbraw/zinc/07/87/23/191078723.db2.gz PJVQLJQBIMNQNP-INIZCTEOSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428474010 191079265 /nfs/dbraw/zinc/07/92/65/191079265.db2.gz PJVQLJQBIMNQNP-MRXNPFEDSA-N 1 0 249.398 3.885 20 0 BHADRO CC(C)C1(C)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000428477863 191079479 /nfs/dbraw/zinc/07/94/79/191079479.db2.gz FQAACPJXNJMZRU-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO COc1ccc(C[N@H+](C)CCCC(C)C)cc1 ZINC000428482424 201024729 /nfs/dbraw/zinc/02/47/29/201024729.db2.gz HKRKUEZARVQJEX-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)C1(C)CC[NH+](Cc2ccco2)CC1 ZINC000428484284 201024246 /nfs/dbraw/zinc/02/42/46/201024246.db2.gz POJPKNXQTSKQSA-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C)(C(C)C)CC2)cn1 ZINC000428485373 201024101 /nfs/dbraw/zinc/02/41/01/201024101.db2.gz QFUYWQPDCPWKJY-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCc1cnc(C[N@H+](C)CCCC(C)C)s1 ZINC000428485637 384707519 /nfs/dbraw/zinc/70/75/19/384707519.db2.gz NHMQJUWPQXZYNQ-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000428532616 201026379 /nfs/dbraw/zinc/02/63/79/201026379.db2.gz HINFYPLAUVBOSE-ABCZVMIZSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000428532618 201026483 /nfs/dbraw/zinc/02/64/83/201026483.db2.gz HINFYPLAUVBOSE-BWPKMQGJSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000428532619 201026123 /nfs/dbraw/zinc/02/61/23/201026123.db2.gz HINFYPLAUVBOSE-JZIMQPMSSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000428532621 201025551 /nfs/dbraw/zinc/02/55/51/201025551.db2.gz HINFYPLAUVBOSE-NHZBNJEXSA-N 1 0 245.341 3.761 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000428532981 201026713 /nfs/dbraw/zinc/02/67/13/201026713.db2.gz CUJGELAFNCRKND-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000428535578 201025662 /nfs/dbraw/zinc/02/56/62/201025662.db2.gz LIEGCIHDEACILZ-GDBMZVCRSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000428535579 201026419 /nfs/dbraw/zinc/02/64/19/201026419.db2.gz LIEGCIHDEACILZ-GOEBONIOSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000428535580 201025852 /nfs/dbraw/zinc/02/58/52/201025852.db2.gz LIEGCIHDEACILZ-HOCLYGCPSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000428535581 201025980 /nfs/dbraw/zinc/02/59/80/201025980.db2.gz LIEGCIHDEACILZ-ZBFHGGJFSA-N 1 0 243.394 3.848 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000428537666 201025767 /nfs/dbraw/zinc/02/57/67/201025767.db2.gz VQHCFASBLSYMFC-AATRIKPKSA-N 1 0 235.346 3.865 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000428537867 201026707 /nfs/dbraw/zinc/02/67/07/201026707.db2.gz VQHCFASBLSYMFC-WAYWQWQTSA-N 1 0 235.346 3.865 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C/c1ccccc1OC ZINC000428546519 201028079 /nfs/dbraw/zinc/02/80/79/201028079.db2.gz NJJKLZYLNLGEDY-CSKARUKUSA-N 1 0 247.382 3.734 20 0 BHADRO CCC(C)(C)C[NH2+]C/C=C\c1ccccc1OC ZINC000428546522 201027205 /nfs/dbraw/zinc/02/72/05/201027205.db2.gz NJJKLZYLNLGEDY-NTMALXAHSA-N 1 0 247.382 3.734 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000428557243 201028407 /nfs/dbraw/zinc/02/84/07/201028407.db2.gz IGIMSCYOACPBFV-BFHYXJOUSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000428557245 201027330 /nfs/dbraw/zinc/02/73/30/201027330.db2.gz IGIMSCYOACPBFV-MJBXVCDLSA-N 1 0 247.382 3.869 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000428557606 201028069 /nfs/dbraw/zinc/02/80/69/201028069.db2.gz JCPMDJVJXNTWAB-OWCLPIDISA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000428557607 201027267 /nfs/dbraw/zinc/02/72/67/201027267.db2.gz JCPMDJVJXNTWAB-PMPSAXMXSA-N 1 0 241.378 3.712 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000428562389 201028354 /nfs/dbraw/zinc/02/83/54/201028354.db2.gz UHTCNCICYCCAKY-NFAWXSAZSA-N 1 0 247.382 3.869 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000428562392 201027631 /nfs/dbraw/zinc/02/76/31/201027631.db2.gz UHTCNCICYCCAKY-UMVBOHGHSA-N 1 0 247.382 3.869 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2cocn2)CC1 ZINC000428563843 201028107 /nfs/dbraw/zinc/02/81/07/201028107.db2.gz VYKPDMRNXLPXQC-UHFFFAOYSA-N 1 0 236.359 3.513 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000428564368 201027477 /nfs/dbraw/zinc/02/74/77/201027477.db2.gz WZBUBOWSQHKJGI-DOMZBBRYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000428564370 201027827 /nfs/dbraw/zinc/02/78/27/201027827.db2.gz WZBUBOWSQHKJGI-IUODEOHRSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000428564371 201028135 /nfs/dbraw/zinc/02/81/35/201028135.db2.gz WZBUBOWSQHKJGI-SWLSCSKDSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1 ZINC000428564372 201027095 /nfs/dbraw/zinc/02/70/95/201027095.db2.gz WZBUBOWSQHKJGI-WFASDCNBSA-N 1 0 247.357 3.852 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000428571478 201028149 /nfs/dbraw/zinc/02/81/49/201028149.db2.gz KKBVMQCPOBKXLU-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO CC[C@H](C[NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000428641728 201031008 /nfs/dbraw/zinc/03/10/08/201031008.db2.gz WKVMXVJKALPUJV-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000428641734 201031378 /nfs/dbraw/zinc/03/13/78/201031378.db2.gz WKVMXVJKALPUJV-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO CC(C)(C)C1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000428641752 201030221 /nfs/dbraw/zinc/03/02/21/201030221.db2.gz WNCNGJNAGZFMFQ-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1C ZINC000428650226 201030147 /nfs/dbraw/zinc/03/01/47/201030147.db2.gz NCPOUWHUHLCNML-GVXVVHGQSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1C ZINC000428650227 201030137 /nfs/dbraw/zinc/03/01/37/201030137.db2.gz NCPOUWHUHLCNML-LOWVWBTDSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@H]1C ZINC000428650228 201030179 /nfs/dbraw/zinc/03/01/79/201030179.db2.gz NCPOUWHUHLCNML-MDZLAQPJSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@H]1C ZINC000428650229 201031174 /nfs/dbraw/zinc/03/11/74/201031174.db2.gz NCPOUWHUHLCNML-WZRBSPASSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H](C[NH2+]C1CC(F)(F)C1)CC1CCCCC1 ZINC000428650720 201030068 /nfs/dbraw/zinc/03/00/68/201030068.db2.gz JGVFFWJEIIUXEU-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+]C1CC(F)(F)C1)CC1CCCCC1 ZINC000428650721 201031608 /nfs/dbraw/zinc/03/16/08/201031608.db2.gz JGVFFWJEIIUXEU-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1CCC(C[NH2+]C2CC(F)(F)C2)CC1 ZINC000428653132 201031081 /nfs/dbraw/zinc/03/10/81/201031081.db2.gz VAMSRCHOSYFAME-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC([NH2+]C2CC(F)(F)C2)CC(C)(C)C1 ZINC000428655734 201030550 /nfs/dbraw/zinc/03/05/50/201030550.db2.gz ZNUDBSIWYPXMHC-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cc(F)ccc1C1CC[NH+](CC2CC2)CC1 ZINC000428711299 201035531 /nfs/dbraw/zinc/03/55/31/201035531.db2.gz ODVTUJIVHWXDBI-UHFFFAOYSA-N 1 0 247.357 3.724 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428712967 201037624 /nfs/dbraw/zinc/03/76/24/201037624.db2.gz UPXGBZYIPFSRII-RWMBFGLXSA-N 1 0 245.357 3.646 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428712968 201038359 /nfs/dbraw/zinc/03/83/59/201038359.db2.gz UPXGBZYIPFSRII-XQQFMLRXSA-N 1 0 245.357 3.646 20 0 BHADRO Cc1cccc(C[N@H+](C)CCCCCF)c1C ZINC000428715908 206059640 /nfs/dbraw/zinc/05/96/40/206059640.db2.gz XLULZEGYFCWZPZ-UHFFFAOYSA-N 1 0 237.362 3.875 20 0 BHADRO CCC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428717835 206058623 /nfs/dbraw/zinc/05/86/23/206058623.db2.gz FOQILLNFGKDHFY-UHFFFAOYSA-N 1 0 235.346 3.724 20 0 BHADRO CCOC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000428725492 201038468 /nfs/dbraw/zinc/03/84/68/201038468.db2.gz YUTCTRQZBQNWCU-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CCOC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000428725495 201038156 /nfs/dbraw/zinc/03/81/56/201038156.db2.gz YUTCTRQZBQNWCU-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCOC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000428725835 201038122 /nfs/dbraw/zinc/03/81/22/201038122.db2.gz BSVPTXYAWXRKAY-AWEZNQCLSA-N 1 0 247.382 3.639 20 0 BHADRO CCOC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000428725837 201038151 /nfs/dbraw/zinc/03/81/51/201038151.db2.gz BSVPTXYAWXRKAY-CQSZACIVSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428729611 201039659 /nfs/dbraw/zinc/03/96/59/201039659.db2.gz NRPSCIPARFPEGG-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428729612 201038765 /nfs/dbraw/zinc/03/87/65/201038765.db2.gz NRPSCIPARFPEGG-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO Cc1cc(F)ccc1C1CC[NH+](C(C)C)CC1 ZINC000428731117 201038649 /nfs/dbraw/zinc/03/86/49/201038649.db2.gz FNPGDJNRKRDPKC-UHFFFAOYSA-N 1 0 235.346 3.722 20 0 BHADRO C[C@]12CC[N@H+](CC3CCCCC3)C[C@H]1C2(F)F ZINC000428733255 201039239 /nfs/dbraw/zinc/03/92/39/201039239.db2.gz KASFILBTNLKITE-OLZOCXBDSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@]12CC[N@H+](CC3CCCCC3)C[C@@H]1C2(F)F ZINC000428733256 201038912 /nfs/dbraw/zinc/03/89/12/201038912.db2.gz KASFILBTNLKITE-QWHCGFSZSA-N 1 0 243.341 3.544 20 0 BHADRO COC(C)(C)CC[N@H+](C)Cc1cccc(C)c1C ZINC000428733771 201039473 /nfs/dbraw/zinc/03/94/73/201039473.db2.gz RAGKHZRNULAEKP-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428741392 201038617 /nfs/dbraw/zinc/03/86/17/201038617.db2.gz QEEQCCMECDDBKM-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428741393 201039222 /nfs/dbraw/zinc/03/92/22/201039222.db2.gz QEEQCCMECDDBKM-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO COCCCCC[N@H+](C)Cc1cccc(C)c1C ZINC000428741747 201038992 /nfs/dbraw/zinc/03/89/92/201038992.db2.gz FNGTUOQLJCOSSW-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO Cc1cccc(C[N@H+](C)CC2CCC2)c1C ZINC000428742795 201038725 /nfs/dbraw/zinc/03/87/25/201038725.db2.gz VDLIYXNZKQSPTK-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCOC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC000428744596 201038988 /nfs/dbraw/zinc/03/89/88/201038988.db2.gz NDNLHWFXSXDSPW-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@]12CC[N@H+](CCC3CCCC3)C[C@H]1C2(F)F ZINC000428747175 201040472 /nfs/dbraw/zinc/04/04/72/201040472.db2.gz JGNTUKYJNCNBQW-OLZOCXBDSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@]12CC[N@H+](CCC3CCCC3)C[C@@H]1C2(F)F ZINC000428747176 201041145 /nfs/dbraw/zinc/04/11/45/201041145.db2.gz JGNTUKYJNCNBQW-QWHCGFSZSA-N 1 0 243.341 3.544 20 0 BHADRO CCOC1(C)CC[NH+](CCC(C)(C)CC)CC1 ZINC000428750966 201040895 /nfs/dbraw/zinc/04/08/95/201040895.db2.gz TWVQIQFZYAEEKS-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)OCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428836006 201046004 /nfs/dbraw/zinc/04/60/04/201046004.db2.gz DLMBFWSFJCVGIF-HNNXBMFYSA-N 1 0 249.398 3.883 20 0 BHADRO CC(C)OCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428836007 201046321 /nfs/dbraw/zinc/04/63/21/201046321.db2.gz DLMBFWSFJCVGIF-OAHLLOKOSA-N 1 0 249.398 3.883 20 0 BHADRO CCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428850126 201044704 /nfs/dbraw/zinc/04/47/04/201044704.db2.gz LHUIRLDORPGZJU-CYBMUJFWSA-N 1 0 205.345 3.868 20 0 BHADRO CCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428850127 201045115 /nfs/dbraw/zinc/04/51/15/201045115.db2.gz LHUIRLDORPGZJU-ZDUSSCGKSA-N 1 0 205.345 3.868 20 0 BHADRO CC(C)[N@@H+](CCC[C@@H](C)O)[C@@H](C)c1ccccc1 ZINC000428852341 201046412 /nfs/dbraw/zinc/04/64/12/201046412.db2.gz SXTKGQKBXOHVRS-CABCVRRESA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@@H+](CCC[C@H](C)O)[C@@H](C)c1ccccc1 ZINC000428852343 201044628 /nfs/dbraw/zinc/04/46/28/201044628.db2.gz SXTKGQKBXOHVRS-GJZGRUSLSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@@H+](CCC[C@@H](C)O)[C@H](C)c1ccccc1 ZINC000428852345 201045158 /nfs/dbraw/zinc/04/51/58/201045158.db2.gz SXTKGQKBXOHVRS-HUUCEWRRSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@@H+](CCC[C@H](C)O)[C@H](C)c1ccccc1 ZINC000428852346 201045130 /nfs/dbraw/zinc/04/51/30/201045130.db2.gz SXTKGQKBXOHVRS-LSDHHAIUSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@H+](CCC(C)(C)O)[C@@H](C)c1ccccc1 ZINC000428853224 201044801 /nfs/dbraw/zinc/04/48/01/201044801.db2.gz XZCQSPKVHIQDSU-AWEZNQCLSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@H+](CCC(C)(C)O)[C@H](C)c1ccccc1 ZINC000428853227 201046218 /nfs/dbraw/zinc/04/62/18/201046218.db2.gz XZCQSPKVHIQDSU-CQSZACIVSA-N 1 0 249.398 3.619 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCCO1)[C@H](C)c1ccccc1 ZINC000428855310 201046224 /nfs/dbraw/zinc/04/62/24/201046224.db2.gz CYTRKXLOLYYHTM-GDBMZVCRSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCCO1)[C@@H](C)c1ccccc1 ZINC000428855311 201046592 /nfs/dbraw/zinc/04/65/92/201046592.db2.gz CYTRKXLOLYYHTM-GOEBONIOSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1ccccc1 ZINC000428855312 201044533 /nfs/dbraw/zinc/04/45/33/201044533.db2.gz CYTRKXLOLYYHTM-HOCLYGCPSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCCO1)[C@H](C)c1ccccc1 ZINC000428855313 201046112 /nfs/dbraw/zinc/04/61/12/201046112.db2.gz CYTRKXLOLYYHTM-ZBFHGGJFSA-N 1 0 247.382 3.637 20 0 BHADRO CSCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428858627 201045196 /nfs/dbraw/zinc/04/51/96/201045196.db2.gz YOKBUSIXLIPRCJ-CYBMUJFWSA-N 1 0 237.412 3.821 20 0 BHADRO CSCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428858628 201045140 /nfs/dbraw/zinc/04/51/40/201045140.db2.gz YOKBUSIXLIPRCJ-ZDUSSCGKSA-N 1 0 237.412 3.821 20 0 BHADRO CC(C)[N@H+](CCCF)[C@H](C)c1ccccc1 ZINC000428874447 201048548 /nfs/dbraw/zinc/04/85/48/201048548.db2.gz ZYDNAINPFYOICT-CYBMUJFWSA-N 1 0 223.335 3.818 20 0 BHADRO CC(C)[N@H+](CCCF)[C@@H](C)c1ccccc1 ZINC000428874448 201046882 /nfs/dbraw/zinc/04/68/82/201046882.db2.gz ZYDNAINPFYOICT-ZDUSSCGKSA-N 1 0 223.335 3.818 20 0 BHADRO CCOCCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428874477 201046888 /nfs/dbraw/zinc/04/68/88/201046888.db2.gz NQWALLKWPQONFM-HNNXBMFYSA-N 1 0 249.398 3.885 20 0 BHADRO CCOCCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428874478 201046823 /nfs/dbraw/zinc/04/68/23/201046823.db2.gz NQWALLKWPQONFM-OAHLLOKOSA-N 1 0 249.398 3.885 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000428940256 201050011 /nfs/dbraw/zinc/05/00/11/201050011.db2.gz PLLMOAUOEKWUDX-LLVKDONJSA-N 1 0 248.370 3.504 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000428940258 201050175 /nfs/dbraw/zinc/05/01/75/201050175.db2.gz PLLMOAUOEKWUDX-NSHDSACASA-N 1 0 248.370 3.504 20 0 BHADRO CCc1nc(C)c(C[N@@H+](CC)C(CC)CC)o1 ZINC000428942011 201050442 /nfs/dbraw/zinc/05/04/42/201050442.db2.gz XXDLLPRCIYLVTB-UHFFFAOYSA-N 1 0 238.375 3.556 20 0 BHADRO CC(C)CCC[N@@H+]1CCc2sccc2C1 ZINC000428949058 201052389 /nfs/dbraw/zinc/05/23/89/201052389.db2.gz WPBNPFAMTABQMK-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO Cc1nc(C(C)C)oc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000428953998 201051258 /nfs/dbraw/zinc/05/12/58/201051258.db2.gz QONUYVAHFZLUDE-UHFFFAOYSA-N 1 0 248.370 3.649 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1oc(CC)nc1C ZINC000428971354 201054609 /nfs/dbraw/zinc/05/46/09/201054609.db2.gz CYNXBYOKXJKHCD-LLVKDONJSA-N 1 0 238.375 3.556 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1oc(CC)nc1C ZINC000428971355 201054810 /nfs/dbraw/zinc/05/48/10/201054810.db2.gz CYNXBYOKXJKHCD-NSHDSACASA-N 1 0 238.375 3.556 20 0 BHADRO CCCO[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC000429045774 201062662 /nfs/dbraw/zinc/06/26/62/201062662.db2.gz GWDINUSVWUCEFY-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCO[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC000429045775 201063530 /nfs/dbraw/zinc/06/35/30/201063530.db2.gz GWDINUSVWUCEFY-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)CCC[N@H+](C)[C@H](C)c1ccco1 ZINC000429047013 201063761 /nfs/dbraw/zinc/06/37/61/201063761.db2.gz NZHQBLQGCBFHLX-GFCCVEGCSA-N 1 0 209.333 3.709 20 0 BHADRO CC(C)CCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000429047015 201064169 /nfs/dbraw/zinc/06/41/69/201064169.db2.gz NZHQBLQGCBFHLX-LBPRGKRZSA-N 1 0 209.333 3.709 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCC2)cc1C ZINC000429049438 201064372 /nfs/dbraw/zinc/06/43/72/201064372.db2.gz PGSADXWEZYPFGD-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC(C)CCC[N@H+](C)C(C1CC1)C1CC1 ZINC000429050553 201064133 /nfs/dbraw/zinc/06/41/33/201064133.db2.gz YVNFNVVPMCEFIJ-UHFFFAOYSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)CCC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000429051088 201063655 /nfs/dbraw/zinc/06/36/55/201063655.db2.gz YVLMNPWGDSCVNO-GFCCVEGCSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)CCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000429051090 201063964 /nfs/dbraw/zinc/06/39/64/201063964.db2.gz YVLMNPWGDSCVNO-LBPRGKRZSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000429052142 191091309 /nfs/dbraw/zinc/09/13/09/191091309.db2.gz CKEXBKKEYDGMNL-HNNXBMFYSA-N 1 0 234.387 3.598 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000429052143 191091326 /nfs/dbraw/zinc/09/13/26/191091326.db2.gz CKEXBKKEYDGMNL-OAHLLOKOSA-N 1 0 234.387 3.598 20 0 BHADRO CC(C)CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000429052834 201062705 /nfs/dbraw/zinc/06/27/05/201062705.db2.gz CEWFSZLAVMBKDA-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000429053410 201063822 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/nfs/dbraw/zinc/09/69/95/201096995.db2.gz VVHJHWYFVFRDDN-LBPRGKRZSA-N 1 0 243.272 3.690 20 0 BHADRO CSC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000429292594 201096251 /nfs/dbraw/zinc/09/62/51/201096251.db2.gz LPDMLKKMJBSXRR-AWEZNQCLSA-N 1 0 241.444 3.642 20 0 BHADRO CSC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000429292595 201094723 /nfs/dbraw/zinc/09/47/23/201094723.db2.gz LPDMLKKMJBSXRR-CQSZACIVSA-N 1 0 241.444 3.642 20 0 BHADRO CSC[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000429293519 201094636 /nfs/dbraw/zinc/09/46/36/201094636.db2.gz KBXHOBUUGGSWHS-AWEZNQCLSA-N 1 0 249.423 3.570 20 0 BHADRO CSC[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000429293521 201094460 /nfs/dbraw/zinc/09/44/60/201094460.db2.gz KBXHOBUUGGSWHS-CQSZACIVSA-N 1 0 249.423 3.570 20 0 BHADRO CSC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000429295198 201095071 /nfs/dbraw/zinc/09/50/71/201095071.db2.gz PUOTZKAPQREDSA-CYBMUJFWSA-N 1 0 243.460 3.888 20 0 BHADRO CSC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000429295199 201094485 /nfs/dbraw/zinc/09/44/85/201094485.db2.gz PUOTZKAPQREDSA-ZDUSSCGKSA-N 1 0 243.460 3.888 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1C ZINC000429295760 201095044 /nfs/dbraw/zinc/09/50/44/201095044.db2.gz QKARBBYYGQIEBQ-CYBMUJFWSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1C ZINC000429295762 201095787 /nfs/dbraw/zinc/09/57/87/201095787.db2.gz QKARBBYYGQIEBQ-ZDUSSCGKSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000429297753 192030260 /nfs/dbraw/zinc/03/02/60/192030260.db2.gz UMWKFURUSMOLNG-BXUZGUMPSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000429297759 192030278 /nfs/dbraw/zinc/03/02/78/192030278.db2.gz UMWKFURUSMOLNG-FZMZJTMJSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000429297761 192030170 /nfs/dbraw/zinc/03/01/70/192030170.db2.gz UMWKFURUSMOLNG-RISCZKNCSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000429297765 192030148 /nfs/dbraw/zinc/03/01/48/192030148.db2.gz UMWKFURUSMOLNG-SMDDNHRTSA-N 1 0 237.774 3.928 20 0 BHADRO CSC[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000429306002 201099164 /nfs/dbraw/zinc/09/91/64/201099164.db2.gz MWVRZFRCDMPWCR-KBPBESRZSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000429306004 201098101 /nfs/dbraw/zinc/09/81/01/201098101.db2.gz MWVRZFRCDMPWCR-KGLIPLIRSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000429306005 201098340 /nfs/dbraw/zinc/09/83/40/201098340.db2.gz MWVRZFRCDMPWCR-UONOGXRCSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000429306262 201098711 /nfs/dbraw/zinc/09/87/11/201098711.db2.gz MWVRZFRCDMPWCR-ZIAGYGMSSA-N 1 0 243.460 3.744 20 0 BHADRO COC(C)(C)CC[N@H+](C)Cc1cc(C)ccc1C ZINC000429307656 201097897 /nfs/dbraw/zinc/09/78/97/201097897.db2.gz OYSVHPDDBAPELM-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000429312100 201098112 /nfs/dbraw/zinc/09/81/12/201098112.db2.gz NZOLXVKUEVNYFR-GFCCVEGCSA-N 1 0 235.371 3.869 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@H](OC(C)C)c1ccccc1 ZINC000429314274 201099430 /nfs/dbraw/zinc/09/94/30/201099430.db2.gz YSPWINMOWBEYAV-CVEARBPZSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@H](OC(C)C)c1ccccc1 ZINC000429314277 201099459 /nfs/dbraw/zinc/09/94/59/201099459.db2.gz YSPWINMOWBEYAV-HOTGVXAUSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@@H](OC(C)C)c1ccccc1 ZINC000429314278 201097514 /nfs/dbraw/zinc/09/75/14/201097514.db2.gz YSPWINMOWBEYAV-HZPDHXFCSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@@H](OC(C)C)c1ccccc1 ZINC000429314280 201099622 /nfs/dbraw/zinc/09/96/22/201099622.db2.gz YSPWINMOWBEYAV-JKSUJKDBSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)CCC[NH+](CC1CC1)CC1CC1 ZINC000429324939 201100507 /nfs/dbraw/zinc/10/05/07/201100507.db2.gz GKLWPVWTAPQGIE-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)CCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000429329024 201101226 /nfs/dbraw/zinc/10/12/26/201101226.db2.gz PZAWEDMJUAZXAZ-UHFFFAOYSA-N 1 0 235.293 3.617 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000429330097 201100464 /nfs/dbraw/zinc/10/04/64/201100464.db2.gz BOHPJQIKOAMTTH-INIZCTEOSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000429330102 201102212 /nfs/dbraw/zinc/10/22/12/201102212.db2.gz BOHPJQIKOAMTTH-MRXNPFEDSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)CCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000429330786 192073408 /nfs/dbraw/zinc/07/34/08/192073408.db2.gz UEOGKGJWFYBALC-GFCCVEGCSA-N 1 0 240.416 3.615 20 0 BHADRO CC(C)CCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000429330787 192073350 /nfs/dbraw/zinc/07/33/50/192073350.db2.gz UEOGKGJWFYBALC-LBPRGKRZSA-N 1 0 240.416 3.615 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000429334014 201102207 /nfs/dbraw/zinc/10/22/07/201102207.db2.gz JQHYOEKXRUAQKO-AWEZNQCLSA-N 1 0 220.360 3.588 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000429334016 201100456 /nfs/dbraw/zinc/10/04/56/201100456.db2.gz JQHYOEKXRUAQKO-CQSZACIVSA-N 1 0 220.360 3.588 20 0 BHADRO CC(C)CCC[N@@H+]1CCc2ccsc2C1 ZINC000429335012 201100915 /nfs/dbraw/zinc/10/09/15/201100915.db2.gz NRRKKOZAAUPCOQ-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO CC(C)CCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000429349045 201104207 /nfs/dbraw/zinc/10/42/07/201104207.db2.gz KXUDLCISIVZHKO-CYBMUJFWSA-N 1 0 235.371 3.821 20 0 BHADRO CC(C)CCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000429349047 201104886 /nfs/dbraw/zinc/10/48/86/201104886.db2.gz KXUDLCISIVZHKO-ZDUSSCGKSA-N 1 0 235.371 3.821 20 0 BHADRO COCC[C@@H]1CCCC[N@H+](CCCC(C)C)C1 ZINC000429350834 201103074 /nfs/dbraw/zinc/10/30/74/201103074.db2.gz RKMZYZHXRYIQMV-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO COCC[C@H]1CCCC[N@H+](CCCC(C)C)C1 ZINC000429350836 201103228 /nfs/dbraw/zinc/10/32/28/201103228.db2.gz RKMZYZHXRYIQMV-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1c(C)cccc1C ZINC000429359885 201104898 /nfs/dbraw/zinc/10/48/98/201104898.db2.gz FFDZTDMHMALEGC-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CCc1cccc(C[N@H+](C)Cc2occc2C)c1 ZINC000429359957 201103120 /nfs/dbraw/zinc/10/31/20/201103120.db2.gz DRFLCOKQUJCJKK-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO Cc1ccoc1C[N@H+](C)CCCc1ccsc1 ZINC000429360622 192085008 /nfs/dbraw/zinc/08/50/08/192085008.db2.gz HQLBDWHCEHKFNP-UHFFFAOYSA-N 1 0 249.379 3.714 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)CCC1 ZINC000429361965 201103454 /nfs/dbraw/zinc/10/34/54/201103454.db2.gz MAEBJKDJQRETNI-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)CCC1 ZINC000429361966 201102953 /nfs/dbraw/zinc/10/29/53/201102953.db2.gz MAEBJKDJQRETNI-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)CCC1 ZINC000429361967 201104695 /nfs/dbraw/zinc/10/46/95/201104695.db2.gz MAEBJKDJQRETNI-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)CCC1 ZINC000429361968 201104620 /nfs/dbraw/zinc/10/46/20/201104620.db2.gz MAEBJKDJQRETNI-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccoc1C[N@H+](C)C/C=C/c1ccccc1 ZINC000429361984 201103702 /nfs/dbraw/zinc/10/37/02/201103702.db2.gz MEXIDPBAVSNICS-RMKNXTFCSA-N 1 0 241.334 3.733 20 0 BHADRO Cc1ccoc1C[N@H+](C)C/C=C\c1ccccc1 ZINC000429361985 201104044 /nfs/dbraw/zinc/10/40/44/201104044.db2.gz MEXIDPBAVSNICS-TWGQIWQCSA-N 1 0 241.334 3.733 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000429365608 192086257 /nfs/dbraw/zinc/08/62/57/192086257.db2.gz JDVBYTZLAYYJTA-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H](C)CCC(C)C)CCC1 ZINC000429366083 201104308 /nfs/dbraw/zinc/10/43/08/201104308.db2.gz KKBLPQIAORQAKP-KBPBESRZSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H](C)CCC(C)C)CCC1 ZINC000429366084 201103098 /nfs/dbraw/zinc/10/30/98/201103098.db2.gz KKBLPQIAORQAKP-KGLIPLIRSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H](C)CCC(C)C)CCC1 ZINC000429366085 201104497 /nfs/dbraw/zinc/10/44/97/201104497.db2.gz KKBLPQIAORQAKP-UONOGXRCSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H](C)CCC(C)C)CCC1 ZINC000429366086 201104941 /nfs/dbraw/zinc/10/49/41/201104941.db2.gz KKBLPQIAORQAKP-ZIAGYGMSSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CC2CCCCC2)CCC1 ZINC000429368879 201102903 /nfs/dbraw/zinc/10/29/03/201102903.db2.gz QOILZXCDBUCRDS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@H](C)[NH2+]CC2CCCCC2)CCC1 ZINC000429368881 201102895 /nfs/dbraw/zinc/10/28/95/201102895.db2.gz QOILZXCDBUCRDS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@@H](C)[NH2+]C2CCCCCC2)CCC1 ZINC000429369426 201102964 /nfs/dbraw/zinc/10/29/64/201102964.db2.gz SBSZAEKSWGLGSA-CYBMUJFWSA-N 1 0 239.403 3.647 20 0 BHADRO COC1(C[C@H](C)[NH2+]C2CCCCCC2)CCC1 ZINC000429369427 201104055 /nfs/dbraw/zinc/10/40/55/201104055.db2.gz SBSZAEKSWGLGSA-ZDUSSCGKSA-N 1 0 239.403 3.647 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2occc2C)c(C)s1 ZINC000429369857 201103747 /nfs/dbraw/zinc/10/37/47/201103747.db2.gz YWYWXPIZBBQREL-UHFFFAOYSA-N 1 0 249.379 3.898 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000429374716 201103301 /nfs/dbraw/zinc/10/33/01/201103301.db2.gz DLSQHUXNENSUCC-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000429376074 201105176 /nfs/dbraw/zinc/10/51/76/201105176.db2.gz DKTLZAZIPJIJRC-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000429376929 201104851 /nfs/dbraw/zinc/10/48/51/201104851.db2.gz HSAXMQRFIVNURS-KBPBESRZSA-N 1 0 247.382 3.685 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000429376930 387840386 /nfs/dbraw/zinc/84/03/86/387840386.db2.gz HSAXMQRFIVNURS-KGLIPLIRSA-N 1 0 247.382 3.685 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000429376932 387840378 /nfs/dbraw/zinc/84/03/78/387840378.db2.gz HSAXMQRFIVNURS-UONOGXRCSA-N 1 0 247.382 3.685 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000429376934 323433933 /nfs/dbraw/zinc/43/39/33/323433933.db2.gz HSAXMQRFIVNURS-ZIAGYGMSSA-N 1 0 247.382 3.685 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CCC2CCCC2)CCC1 ZINC000429387036 201105910 /nfs/dbraw/zinc/10/59/10/201105910.db2.gz YDSVVZGPALGTSU-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@H](C)[NH2+]CCC2CCCC2)CCC1 ZINC000429387037 201106192 /nfs/dbraw/zinc/10/61/92/201106192.db2.gz YDSVVZGPALGTSU-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1cc(F)ccc1C ZINC000429389317 201106602 /nfs/dbraw/zinc/10/66/02/201106602.db2.gz VAEMJRYHMCAIPE-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1ccoc1C[N@H+](C)CCC1CCCC1 ZINC000429398469 201105923 /nfs/dbraw/zinc/10/59/23/201105923.db2.gz AMYOHTZXHCFYTJ-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1ccoc1C[N@H+](C)CCc1ccc(C)cc1 ZINC000429398528 201106564 /nfs/dbraw/zinc/10/65/64/201106564.db2.gz LKLMEIBSSJIBDD-UHFFFAOYSA-N 1 0 243.350 3.571 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429412678 201106736 /nfs/dbraw/zinc/10/67/36/201106736.db2.gz OXWSBEXZTSCROF-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429412679 201107212 /nfs/dbraw/zinc/10/72/12/201107212.db2.gz OXWSBEXZTSCROF-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429412680 201106467 /nfs/dbraw/zinc/10/64/67/201106467.db2.gz OXWSBEXZTSCROF-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429412681 201106552 /nfs/dbraw/zinc/10/65/52/201106552.db2.gz OXWSBEXZTSCROF-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)CCC1 ZINC000429412834 201107530 /nfs/dbraw/zinc/10/75/30/201107530.db2.gz QGZPUFFEKIRWOD-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)CCC1 ZINC000429412835 201107594 /nfs/dbraw/zinc/10/75/94/201107594.db2.gz QGZPUFFEKIRWOD-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)CCC1 ZINC000429412836 201106820 /nfs/dbraw/zinc/10/68/20/201106820.db2.gz QGZPUFFEKIRWOD-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)CCC1 ZINC000429412837 201106040 /nfs/dbraw/zinc/10/60/40/201106040.db2.gz QGZPUFFEKIRWOD-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccnc1 ZINC000429412988 201107294 /nfs/dbraw/zinc/10/72/94/201107294.db2.gz RLYKLUMSNCAXMH-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC12CCCC2)c1cccnc1 ZINC000429412989 201106868 /nfs/dbraw/zinc/10/68/68/201106868.db2.gz RLYKLUMSNCAXMH-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccnc1 ZINC000429412990 201106090 /nfs/dbraw/zinc/10/60/90/201106090.db2.gz RLYKLUMSNCAXMH-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccnc1 ZINC000429412991 201107161 /nfs/dbraw/zinc/10/71/61/201107161.db2.gz RLYKLUMSNCAXMH-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccnc1 ZINC000429413019 201106623 /nfs/dbraw/zinc/10/66/23/201106623.db2.gz RSXLMDGRGRRUHV-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC12CCCC2)c1cccnc1 ZINC000429413020 201107388 /nfs/dbraw/zinc/10/73/88/201107388.db2.gz RSXLMDGRGRRUHV-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccnc1 ZINC000429413021 201106962 /nfs/dbraw/zinc/10/69/62/201106962.db2.gz RSXLMDGRGRRUHV-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccnc1 ZINC000429413022 201106775 /nfs/dbraw/zinc/10/67/75/201106775.db2.gz RSXLMDGRGRRUHV-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)CC ZINC000429414866 201107331 /nfs/dbraw/zinc/10/73/31/201107331.db2.gz ZMUQIBJXVTWPTG-GFCCVEGCSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)CC ZINC000429414868 201107656 /nfs/dbraw/zinc/10/76/56/201107656.db2.gz ZMUQIBJXVTWPTG-LBPRGKRZSA-N 1 0 234.387 3.731 20 0 BHADRO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429414873 201107254 /nfs/dbraw/zinc/10/72/54/201107254.db2.gz GUPRCJWJXNQRLI-ILXRZTDVSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429414875 201106850 /nfs/dbraw/zinc/10/68/50/201106850.db2.gz GUPRCJWJXNQRLI-KFWWJZLASA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429414877 201105959 /nfs/dbraw/zinc/10/59/59/201105959.db2.gz GUPRCJWJXNQRLI-QLFBSQMISA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429414879 201106068 /nfs/dbraw/zinc/10/60/68/201106068.db2.gz GUPRCJWJXNQRLI-RBSFLKMASA-N 1 0 233.399 3.878 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)CCC1 ZINC000429417172 201107478 /nfs/dbraw/zinc/10/74/78/201107478.db2.gz KMKXJNYKWFTDNP-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)CCC1 ZINC000429417174 201106933 /nfs/dbraw/zinc/10/69/33/201106933.db2.gz KMKXJNYKWFTDNP-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)CCC1 ZINC000429419011 201107327 /nfs/dbraw/zinc/10/73/27/201107327.db2.gz RZESNBGFZVZMKD-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H]2CCCC2(C)C)CCC1 ZINC000429419012 201107150 /nfs/dbraw/zinc/10/71/50/201107150.db2.gz RZESNBGFZVZMKD-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCCC2(C)C)CCC1 ZINC000429419013 201107281 /nfs/dbraw/zinc/10/72/81/201107281.db2.gz RZESNBGFZVZMKD-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCCC2(C)C)CCC1 ZINC000429419014 201106094 /nfs/dbraw/zinc/10/60/94/201106094.db2.gz RZESNBGFZVZMKD-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CC2(C)CCCC2)CCC1 ZINC000429419915 201107527 /nfs/dbraw/zinc/10/75/27/201107527.db2.gz RNDFTLSGTVNXJS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@H](C)[NH2+]CC2(C)CCCC2)CCC1 ZINC000429419916 201106537 /nfs/dbraw/zinc/10/65/37/201106537.db2.gz RNDFTLSGTVNXJS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000429419963 201106038 /nfs/dbraw/zinc/10/60/38/201106038.db2.gz RSWXHJXXJOFNMC-GFCCVEGCSA-N 1 0 247.382 3.804 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000429419964 201105650 /nfs/dbraw/zinc/10/56/50/201105650.db2.gz RSWXHJXXJOFNMC-LBPRGKRZSA-N 1 0 247.382 3.804 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)o1 ZINC000429421825 201108099 /nfs/dbraw/zinc/10/80/99/201108099.db2.gz GGGKEWWNSKJDGN-BXUZGUMPSA-N 1 0 233.355 3.825 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)o1 ZINC000429421826 201108981 /nfs/dbraw/zinc/10/89/81/201108981.db2.gz GGGKEWWNSKJDGN-FZMZJTMJSA-N 1 0 233.355 3.825 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)o1 ZINC000429421827 201108320 /nfs/dbraw/zinc/10/83/20/201108320.db2.gz GGGKEWWNSKJDGN-RISCZKNCSA-N 1 0 233.355 3.825 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)o1 ZINC000429421828 201108301 /nfs/dbraw/zinc/10/83/01/201108301.db2.gz GGGKEWWNSKJDGN-SMDDNHRTSA-N 1 0 233.355 3.825 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000429422528 201108705 /nfs/dbraw/zinc/10/87/05/201108705.db2.gz ZNZKSRVXRNXLOQ-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000429422530 201109241 /nfs/dbraw/zinc/10/92/41/201109241.db2.gz ZNZKSRVXRNXLOQ-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccn1 ZINC000429425635 201109021 /nfs/dbraw/zinc/10/90/21/201109021.db2.gz MIEWKEKTESATLY-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccn1 ZINC000429425639 201109354 /nfs/dbraw/zinc/10/93/54/201109354.db2.gz MIEWKEKTESATLY-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccn1 ZINC000429425643 201109264 /nfs/dbraw/zinc/10/92/64/201109264.db2.gz MIEWKEKTESATLY-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccccn1 ZINC000429425645 201108919 /nfs/dbraw/zinc/10/89/19/201108919.db2.gz MIEWKEKTESATLY-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000429425846 201109114 /nfs/dbraw/zinc/10/91/14/201109114.db2.gz DXSXESGOZIHFFR-CYBMUJFWSA-N 1 0 248.414 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000429425847 201108938 /nfs/dbraw/zinc/10/89/38/201108938.db2.gz DXSXESGOZIHFFR-ZDUSSCGKSA-N 1 0 248.414 3.839 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000429426975 537807152 /nfs/dbraw/zinc/80/71/52/537807152.db2.gz MYRNMQOFCKKPHW-CABCVRRESA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000429426976 537806664 /nfs/dbraw/zinc/80/66/64/537806664.db2.gz MYRNMQOFCKKPHW-GJZGRUSLSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000429426977 537806657 /nfs/dbraw/zinc/80/66/57/537806657.db2.gz MYRNMQOFCKKPHW-HUUCEWRRSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000429426978 537806592 /nfs/dbraw/zinc/80/65/92/537806592.db2.gz MYRNMQOFCKKPHW-LSDHHAIUSA-N 1 0 245.341 3.735 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000429432145 537806742 /nfs/dbraw/zinc/80/67/42/537806742.db2.gz OKLHWECQIFMAEI-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000429432147 537806322 /nfs/dbraw/zinc/80/63/22/537806322.db2.gz OKLHWECQIFMAEI-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CC(C)(C)C(C)C)CCC1 ZINC000429433370 201109235 /nfs/dbraw/zinc/10/92/35/201109235.db2.gz PWEHZJVGHZKGBQ-CYBMUJFWSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(C[C@H](C)[NH2+]CC(C)(C)C(C)C)CCC1 ZINC000429433371 201108497 /nfs/dbraw/zinc/10/84/97/201108497.db2.gz PWEHZJVGHZKGBQ-ZDUSSCGKSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429434633 201108421 /nfs/dbraw/zinc/10/84/21/201108421.db2.gz XURFRPSKPDAZDW-DAXOMENPSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429434634 201107981 /nfs/dbraw/zinc/10/79/81/201107981.db2.gz XURFRPSKPDAZDW-KCXAZCMYSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429434635 201108726 /nfs/dbraw/zinc/10/87/26/201108726.db2.gz XURFRPSKPDAZDW-UHOFOFEASA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429434636 201107852 /nfs/dbraw/zinc/10/78/52/201107852.db2.gz XURFRPSKPDAZDW-WQVCFCJDSA-N 1 0 241.378 3.842 20 0 BHADRO CCC1(C[NH2+][C@H](C)CC2(OC)CCC2)CCC1 ZINC000429435811 201109315 /nfs/dbraw/zinc/10/93/15/201109315.db2.gz ZUNOXBBSWMLDOE-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CC2(OC)CCC2)CCC1 ZINC000429435812 201109238 /nfs/dbraw/zinc/10/92/38/201109238.db2.gz ZUNOXBBSWMLDOE-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H](C)CCC2CC2)CCC1 ZINC000429436423 201108961 /nfs/dbraw/zinc/10/89/61/201108961.db2.gz WWSVDYYQPNWYCR-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H](C)CCC2CC2)CCC1 ZINC000429436424 201107807 /nfs/dbraw/zinc/10/78/07/201107807.db2.gz WWSVDYYQPNWYCR-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H](C)CCC2CC2)CCC1 ZINC000429436425 201109358 /nfs/dbraw/zinc/10/93/58/201109358.db2.gz WWSVDYYQPNWYCR-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H](C)CCC2CC2)CCC1 ZINC000429436426 201109214 /nfs/dbraw/zinc/10/92/14/201109214.db2.gz WWSVDYYQPNWYCR-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000429436889 201107846 /nfs/dbraw/zinc/10/78/46/201107846.db2.gz YMCZQFOKCLQCRF-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000429436891 201108380 /nfs/dbraw/zinc/10/83/80/201108380.db2.gz YMCZQFOKCLQCRF-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000429436893 201107973 /nfs/dbraw/zinc/10/79/73/201107973.db2.gz YMCZQFOKCLQCRF-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000429436895 201108833 /nfs/dbraw/zinc/10/88/33/201108833.db2.gz YMCZQFOKCLQCRF-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000429437273 201108540 /nfs/dbraw/zinc/10/85/40/201108540.db2.gz NGTRNCFFTINIAP-AWEZNQCLSA-N 1 0 247.382 3.926 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000429437275 201107876 /nfs/dbraw/zinc/10/78/76/201107876.db2.gz NGTRNCFFTINIAP-CQSZACIVSA-N 1 0 247.382 3.926 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000429437957 201108224 /nfs/dbraw/zinc/10/82/24/201108224.db2.gz QGKFFZDRQLEHRA-AWEZNQCLSA-N 1 0 247.382 3.708 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000429437958 201109320 /nfs/dbraw/zinc/10/93/20/201109320.db2.gz QGKFFZDRQLEHRA-CQSZACIVSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429438038 201108999 /nfs/dbraw/zinc/10/89/99/201108999.db2.gz QZBTWIRBALBKRT-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429438039 201108391 /nfs/dbraw/zinc/10/83/91/201108391.db2.gz QZBTWIRBALBKRT-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429438040 201109335 /nfs/dbraw/zinc/10/93/35/201109335.db2.gz QZBTWIRBALBKRT-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429438041 201108990 /nfs/dbraw/zinc/10/89/90/201108990.db2.gz QZBTWIRBALBKRT-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC12CCCC2 ZINC000429439193 201109103 /nfs/dbraw/zinc/10/91/03/201109103.db2.gz BULBQXPJNBPNKQ-GXTWGEPZSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CC12CCCC2 ZINC000429439194 201108665 /nfs/dbraw/zinc/10/86/65/201108665.db2.gz BULBQXPJNBPNKQ-JSGCOSHPSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CC12CCCC2 ZINC000429439195 201108447 /nfs/dbraw/zinc/10/84/47/201108447.db2.gz BULBQXPJNBPNKQ-OCCSQVGLSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC12CCCC2 ZINC000429439196 201108623 /nfs/dbraw/zinc/10/86/23/201108623.db2.gz BULBQXPJNBPNKQ-TZMCWYRMSA-N 1 0 249.423 3.992 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)CCC1 ZINC000429442004 201109269 /nfs/dbraw/zinc/10/92/69/201109269.db2.gz FDDIUNJYSRNBRF-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)CCC1 ZINC000429442007 201108429 /nfs/dbraw/zinc/10/84/29/201108429.db2.gz FDDIUNJYSRNBRF-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)CCC1 ZINC000429442009 201108891 /nfs/dbraw/zinc/10/88/91/201108891.db2.gz FDDIUNJYSRNBRF-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H]2CCC(C)(C)C2)CCC1 ZINC000429442011 201109211 /nfs/dbraw/zinc/10/92/11/201109211.db2.gz FDDIUNJYSRNBRF-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429448377 201108477 /nfs/dbraw/zinc/10/84/77/201108477.db2.gz KOYDPBDSAGCVDE-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429448378 201108978 /nfs/dbraw/zinc/10/89/78/201108978.db2.gz KOYDPBDSAGCVDE-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000429454780 201109224 /nfs/dbraw/zinc/10/92/24/201109224.db2.gz PIULDFIEGVMFHF-GXTWGEPZSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000429454781 201108143 /nfs/dbraw/zinc/10/81/43/201108143.db2.gz PIULDFIEGVMFHF-JSGCOSHPSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000429454782 201109300 /nfs/dbraw/zinc/10/93/00/201109300.db2.gz PIULDFIEGVMFHF-OCCSQVGLSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000429454783 201108345 /nfs/dbraw/zinc/10/83/45/201108345.db2.gz PIULDFIEGVMFHF-TZMCWYRMSA-N 1 0 244.382 3.627 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429455107 201109309 /nfs/dbraw/zinc/10/93/09/201109309.db2.gz PBYSKJHOYLWBSA-RAIGVLPGSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429455109 201107804 /nfs/dbraw/zinc/10/78/04/201107804.db2.gz PBYSKJHOYLWBSA-RTXFEEFZSA-N 1 0 245.357 3.835 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000429460087 201111224 /nfs/dbraw/zinc/11/12/24/201111224.db2.gz ZSDNNWOOADOABR-LLVKDONJSA-N 1 0 239.309 3.752 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000429460088 201109523 /nfs/dbraw/zinc/10/95/23/201109523.db2.gz ZSDNNWOOADOABR-NSHDSACASA-N 1 0 239.309 3.752 20 0 BHADRO FC1(F)CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000429463198 201111027 /nfs/dbraw/zinc/11/10/27/201111027.db2.gz SVVGPJXAATXHLQ-CYBMUJFWSA-N 1 0 237.293 3.525 20 0 BHADRO FC1(F)CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000429463206 201110249 /nfs/dbraw/zinc/11/02/49/201110249.db2.gz SVVGPJXAATXHLQ-ZDUSSCGKSA-N 1 0 237.293 3.525 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429466613 201109757 /nfs/dbraw/zinc/10/97/57/201109757.db2.gz FXNDVKNUZSEOAE-AAEUAGOBSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429466615 201109840 /nfs/dbraw/zinc/10/98/40/201109840.db2.gz FXNDVKNUZSEOAE-DGCLKSJQSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000429466953 201110485 /nfs/dbraw/zinc/11/04/85/201110485.db2.gz FXNDVKNUZSEOAE-WCQYABFASA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429466954 201110827 /nfs/dbraw/zinc/11/08/27/201110827.db2.gz FXNDVKNUZSEOAE-YPMHNXCESA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1(OC)CCC1)C(C)(C)C ZINC000429519202 201111978 /nfs/dbraw/zinc/11/19/78/201111978.db2.gz AVXRGJNCWVORSZ-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1(OC)CCC1)C(C)(C)C ZINC000429519203 201111679 /nfs/dbraw/zinc/11/16/79/201111679.db2.gz AVXRGJNCWVORSZ-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1(OC)CCC1)C(C)(C)C ZINC000429519204 201111670 /nfs/dbraw/zinc/11/16/70/201111670.db2.gz AVXRGJNCWVORSZ-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1(OC)CCC1)C(C)(C)C ZINC000429519205 201112554 /nfs/dbraw/zinc/11/25/54/201112554.db2.gz AVXRGJNCWVORSZ-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H](C)C2CCCC2)CCC1 ZINC000429539128 201112945 /nfs/dbraw/zinc/11/29/45/201112945.db2.gz QFCLHVAGZDMPMO-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H](C)C2CCCC2)CCC1 ZINC000429539129 201113174 /nfs/dbraw/zinc/11/31/74/201113174.db2.gz QFCLHVAGZDMPMO-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H](C)C2CCCC2)CCC1 ZINC000429539130 201113062 /nfs/dbraw/zinc/11/30/62/201113062.db2.gz QFCLHVAGZDMPMO-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H](C)C2CCCC2)CCC1 ZINC000429539131 201111686 /nfs/dbraw/zinc/11/16/86/201111686.db2.gz QFCLHVAGZDMPMO-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)C1 ZINC000429563080 201115737 /nfs/dbraw/zinc/11/57/37/201115737.db2.gz BDQZHRMIIWDMTC-CMPLNLGQSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)C1 ZINC000429563084 201116400 /nfs/dbraw/zinc/11/64/00/201116400.db2.gz BDQZHRMIIWDMTC-JQWIXIFHSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)C1 ZINC000429563086 201113671 /nfs/dbraw/zinc/11/36/71/201113671.db2.gz BDQZHRMIIWDMTC-PWSUYJOCSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)C1 ZINC000429563088 201114229 /nfs/dbraw/zinc/11/42/29/201114229.db2.gz BDQZHRMIIWDMTC-ZYHUDNBSSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)C1 ZINC000429565714 201116068 /nfs/dbraw/zinc/11/60/68/201116068.db2.gz SRDYTTQXZYLVER-GWCFXTLKSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)C1 ZINC000429565715 201113887 /nfs/dbraw/zinc/11/38/87/201113887.db2.gz SRDYTTQXZYLVER-GXFFZTMASA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)C1 ZINC000429565716 201114946 /nfs/dbraw/zinc/11/49/46/201114946.db2.gz SRDYTTQXZYLVER-MFKMUULPSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)C1 ZINC000429565717 201116609 /nfs/dbraw/zinc/11/66/09/201116609.db2.gz SRDYTTQXZYLVER-ZWNOBZJWSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cccc2c1C[N@H+](Cc1cccs1)CC2 ZINC000429571002 192369188 /nfs/dbraw/zinc/36/91/88/192369188.db2.gz XTVNJGUZCCCQIC-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)C1 ZINC000429574207 201119609 /nfs/dbraw/zinc/11/96/09/201119609.db2.gz FSEYYLITMUZSSZ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)C1 ZINC000429574208 201118727 /nfs/dbraw/zinc/11/87/27/201118727.db2.gz FSEYYLITMUZSSZ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)C1 ZINC000429574209 201118107 /nfs/dbraw/zinc/11/81/07/201118107.db2.gz FSEYYLITMUZSSZ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)C1 ZINC000429574210 201118649 /nfs/dbraw/zinc/11/86/49/201118649.db2.gz FSEYYLITMUZSSZ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC000429578788 201117730 /nfs/dbraw/zinc/11/77/30/201117730.db2.gz ULGBHBXOZKNOIA-FPTQRPOBSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC000429578789 201119448 /nfs/dbraw/zinc/11/94/48/201119448.db2.gz ULGBHBXOZKNOIA-NZJBMZQBSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC000429578790 201118282 /nfs/dbraw/zinc/11/82/82/201118282.db2.gz ULGBHBXOZKNOIA-SYTIVJCGSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC000429578791 201118213 /nfs/dbraw/zinc/11/82/13/201118213.db2.gz ULGBHBXOZKNOIA-YRPJOXRESA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC000429580593 201118968 /nfs/dbraw/zinc/11/89/68/201118968.db2.gz PWIRDWDSJNQTMG-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC000429580594 201117766 /nfs/dbraw/zinc/11/77/66/201117766.db2.gz PWIRDWDSJNQTMG-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC000429580595 201119052 /nfs/dbraw/zinc/11/90/52/201119052.db2.gz PWIRDWDSJNQTMG-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC000429580596 201118693 /nfs/dbraw/zinc/11/86/93/201118693.db2.gz PWIRDWDSJNQTMG-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC000429586700 201122221 /nfs/dbraw/zinc/12/22/21/201122221.db2.gz CSIQVGSZUSGVPU-GXTWGEPZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC000429586701 201121180 /nfs/dbraw/zinc/12/11/80/201121180.db2.gz CSIQVGSZUSGVPU-JSGCOSHPSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC000429586702 201122088 /nfs/dbraw/zinc/12/20/88/201122088.db2.gz CSIQVGSZUSGVPU-OCCSQVGLSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC000429586704 201121754 /nfs/dbraw/zinc/12/17/54/201121754.db2.gz CSIQVGSZUSGVPU-TZMCWYRMSA-N 1 0 237.412 3.801 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CC2CCCCCC2)n[nH]1 ZINC000429705708 201130461 /nfs/dbraw/zinc/13/04/61/201130461.db2.gz DMBOXQLLCIIMND-HNNXBMFYSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CC2CCCCCC2)n[nH]1 ZINC000429705710 201129762 /nfs/dbraw/zinc/12/97/62/201129762.db2.gz DMBOXQLLCIIMND-OAHLLOKOSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CCCC2CCCC2)n[nH]1 ZINC000429714474 201128797 /nfs/dbraw/zinc/12/87/97/201128797.db2.gz GOKMRPAPVKLFQM-HNNXBMFYSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CCCC2CCCC2)n[nH]1 ZINC000429714476 201129639 /nfs/dbraw/zinc/12/96/39/201129639.db2.gz GOKMRPAPVKLFQM-OAHLLOKOSA-N 1 0 247.386 3.517 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC000429716794 201129322 /nfs/dbraw/zinc/12/93/22/201129322.db2.gz LBWSXNDBBZDIKI-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C(C)(C)C)on1 ZINC000429725679 201129728 /nfs/dbraw/zinc/12/97/28/201129728.db2.gz PJELUYOIBCXMTK-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000429799161 201132979 /nfs/dbraw/zinc/13/29/79/201132979.db2.gz MYRDAFKTXBMILJ-RRFJBIMHSA-N 1 0 233.330 3.665 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000429799162 201133825 /nfs/dbraw/zinc/13/38/25/201133825.db2.gz MYRDAFKTXBMILJ-SOUVJXGZSA-N 1 0 233.330 3.665 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH+]1CCCCC1 ZINC000429875405 201134911 /nfs/dbraw/zinc/13/49/11/201134911.db2.gz ATXNFRHANKFAKG-AWEZNQCLSA-N 1 0 235.758 3.813 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH+]1CCCCC1 ZINC000429875409 201135434 /nfs/dbraw/zinc/13/54/34/201135434.db2.gz ATXNFRHANKFAKG-CQSZACIVSA-N 1 0 235.758 3.813 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000430037049 201139144 /nfs/dbraw/zinc/13/91/44/201139144.db2.gz RKLXVKZGCYVTJH-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000430037050 201138955 /nfs/dbraw/zinc/13/89/55/201138955.db2.gz RKLXVKZGCYVTJH-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430045408 201139725 /nfs/dbraw/zinc/13/97/25/201139725.db2.gz YEOWZPQGCWYNKA-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430045410 201140346 /nfs/dbraw/zinc/14/03/46/201140346.db2.gz YEOWZPQGCWYNKA-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430045412 201141211 /nfs/dbraw/zinc/14/12/11/201141211.db2.gz YEOWZPQGCWYNKA-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430045414 201141510 /nfs/dbraw/zinc/14/15/10/201141510.db2.gz YEOWZPQGCWYNKA-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000430052766 201140732 /nfs/dbraw/zinc/14/07/32/201140732.db2.gz PWXKBEWCVWVUPV-QMTHXVAHSA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000430063004 201140859 /nfs/dbraw/zinc/14/08/59/201140859.db2.gz URNYQAWEJRLXQN-BMIGLBTASA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000430063007 201141514 /nfs/dbraw/zinc/14/15/14/201141514.db2.gz URNYQAWEJRLXQN-BONVTDFDSA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000430063009 201141348 /nfs/dbraw/zinc/14/13/48/201141348.db2.gz URNYQAWEJRLXQN-MEBBXXQBSA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@H]1C[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000430063012 191275773 /nfs/dbraw/zinc/27/57/73/191275773.db2.gz URNYQAWEJRLXQN-ZUZCIYMTSA-N 1 0 246.329 3.585 20 0 BHADRO CC(C)CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430086912 201143127 /nfs/dbraw/zinc/14/31/27/201143127.db2.gz CMIOELHWGSRQIF-HNNXBMFYSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430086914 201141774 /nfs/dbraw/zinc/14/17/74/201141774.db2.gz CMIOELHWGSRQIF-OAHLLOKOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1[N@H+](Cc2ccccc2)CC12CCC2 ZINC000430089009 201141806 /nfs/dbraw/zinc/14/18/06/201141806.db2.gz MEBKQCJOOIBRMN-HNNXBMFYSA-N 1 0 229.367 3.697 20 0 BHADRO CC(C)[C@H]1[N@H+](Cc2ccccc2)CC12CCC2 ZINC000430089010 201143165 /nfs/dbraw/zinc/14/31/65/201143165.db2.gz MEBKQCJOOIBRMN-OAHLLOKOSA-N 1 0 229.367 3.697 20 0 BHADRO CC(C)[C@H]1[N@H+](CC2(C)CCC2)CC12CCC2 ZINC000430089318 201142697 /nfs/dbraw/zinc/14/26/97/201142697.db2.gz MPIZEQMCOIORHU-CYBMUJFWSA-N 1 0 221.388 3.687 20 0 BHADRO CC(C)[C@@H]1[N@H+](CC2(C)CCC2)CC12CCC2 ZINC000430089320 201142254 /nfs/dbraw/zinc/14/22/54/201142254.db2.gz MPIZEQMCOIORHU-ZDUSSCGKSA-N 1 0 221.388 3.687 20 0 BHADRO CC(C)[C@H]1[N@H+](Cc2cccs2)CC12CCC2 ZINC000430089924 201143328 /nfs/dbraw/zinc/14/33/28/201143328.db2.gz ZYWLBUJWHJRJJR-CYBMUJFWSA-N 1 0 235.396 3.759 20 0 BHADRO CC(C)[C@@H]1[N@H+](Cc2cccs2)CC12CCC2 ZINC000430089927 201143620 /nfs/dbraw/zinc/14/36/20/201143620.db2.gz ZYWLBUJWHJRJJR-ZDUSSCGKSA-N 1 0 235.396 3.759 20 0 BHADRO CCC(CC)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430090242 201141706 /nfs/dbraw/zinc/14/17/06/201141706.db2.gz PVAJFHFYZZDQKP-HNNXBMFYSA-N 1 0 246.398 3.901 20 0 BHADRO CCC(CC)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430090243 201143318 /nfs/dbraw/zinc/14/33/18/201143318.db2.gz PVAJFHFYZZDQKP-OAHLLOKOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@H]1[N@H+](Cc2ccsc2)CC12CCC2 ZINC000430094055 201142820 /nfs/dbraw/zinc/14/28/20/201142820.db2.gz IDLPEAZWZHMLTI-CYBMUJFWSA-N 1 0 235.396 3.759 20 0 BHADRO CC(C)[C@@H]1[N@H+](Cc2ccsc2)CC12CCC2 ZINC000430094056 201142664 /nfs/dbraw/zinc/14/26/64/201142664.db2.gz IDLPEAZWZHMLTI-ZDUSSCGKSA-N 1 0 235.396 3.759 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)o1 ZINC000430095071 201143351 /nfs/dbraw/zinc/14/33/51/201143351.db2.gz AIHCZKHSKLFHSD-AWEZNQCLSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)o1 ZINC000430095072 201141811 /nfs/dbraw/zinc/14/18/11/201141811.db2.gz AIHCZKHSKLFHSD-CQSZACIVSA-N 1 0 233.355 3.599 20 0 BHADRO CSC1(C[N@H+](C)Cc2cccc(C)c2C)CC1 ZINC000430102159 201145438 /nfs/dbraw/zinc/14/54/38/201145438.db2.gz XRUSJKYQUQEFPQ-UHFFFAOYSA-N 1 0 249.423 3.631 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430102605 201144080 /nfs/dbraw/zinc/14/40/80/201144080.db2.gz RADRCEYVJODPQA-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430102608 201145751 /nfs/dbraw/zinc/14/57/51/201145751.db2.gz RADRCEYVJODPQA-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430102612 201144638 /nfs/dbraw/zinc/14/46/38/201144638.db2.gz RADRCEYVJODPQA-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430102615 201144872 /nfs/dbraw/zinc/14/48/72/201144872.db2.gz RADRCEYVJODPQA-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO CC1(C)C[N@@H+](CC2(C)CCC2)[C@H]1c1cccnc1 ZINC000430102987 191325643 /nfs/dbraw/zinc/32/56/43/191325643.db2.gz KVQJCEWOGGMFDG-AWEZNQCLSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@@H+](CC2(C)CCC2)[C@@H]1c1cccnc1 ZINC000430102988 191325714 /nfs/dbraw/zinc/32/57/14/191325714.db2.gz KVQJCEWOGGMFDG-CQSZACIVSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000430104526 201143874 /nfs/dbraw/zinc/14/38/74/201143874.db2.gz UYSVVZZUELCEIY-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430109441 201144367 /nfs/dbraw/zinc/14/43/67/201144367.db2.gz ZYXPDZBHWGEAKU-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430109442 201145696 /nfs/dbraw/zinc/14/56/96/201145696.db2.gz ZYXPDZBHWGEAKU-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000430109884 201144111 /nfs/dbraw/zinc/14/41/11/201144111.db2.gz WFNLBOCFHWMNSQ-AWEZNQCLSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000430109885 201143818 /nfs/dbraw/zinc/14/38/18/201143818.db2.gz WFNLBOCFHWMNSQ-CQSZACIVSA-N 1 0 233.355 3.599 20 0 BHADRO COCC(C)(C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000430113238 201144461 /nfs/dbraw/zinc/14/44/61/201144461.db2.gz IZBNXAPKWNIRBL-AWEZNQCLSA-N 1 0 249.398 3.537 20 0 BHADRO COCC(C)(C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000430113239 201143884 /nfs/dbraw/zinc/14/38/84/201143884.db2.gz IZBNXAPKWNIRBL-CQSZACIVSA-N 1 0 249.398 3.537 20 0 BHADRO COc1ccccc1C[NH+](C1CCC1)C1CCC1 ZINC000430118168 201145730 /nfs/dbraw/zinc/14/57/30/201145730.db2.gz CZTFMYMOXWFKMH-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO CCc1ccc(C[NH+](C2CCC2)C2CCC2)o1 ZINC000430119551 201147079 /nfs/dbraw/zinc/14/70/79/201147079.db2.gz FSCSAZJFOZPCIS-UHFFFAOYSA-N 1 0 233.355 3.749 20 0 BHADRO C(=C\c1ccncc1)\C[NH+](C1CCC1)C1CCC1 ZINC000430123427 201147984 /nfs/dbraw/zinc/14/79/84/201147984.db2.gz PLYZULQWCXSTSU-ARJAWSKDSA-N 1 0 242.366 3.502 20 0 BHADRO C(=C/c1ccncc1)\C[NH+](C1CCC1)C1CCC1 ZINC000430123429 201146707 /nfs/dbraw/zinc/14/67/07/201146707.db2.gz PLYZULQWCXSTSU-ONEGZZNKSA-N 1 0 242.366 3.502 20 0 BHADRO Cc1ccsc1C[NH+](C1CCC1)C1CCC1 ZINC000430124444 201147250 /nfs/dbraw/zinc/14/72/50/201147250.db2.gz RYGGSCKKUYERNP-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)CCC=C(C)C)OC ZINC000430124460 191329568 /nfs/dbraw/zinc/32/95/68/191329568.db2.gz NKLDZFSCYIQLLP-AWEZNQCLSA-N 1 0 241.419 3.916 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)CCC=C(C)C)OC ZINC000430124463 191329098 /nfs/dbraw/zinc/32/90/98/191329098.db2.gz NKLDZFSCYIQLLP-CQSZACIVSA-N 1 0 241.419 3.916 20 0 BHADRO C1=CC[C@@H](C[NH+](C2CCC2)C2CCC2)CC1 ZINC000430129146 201147661 /nfs/dbraw/zinc/14/76/61/201147661.db2.gz ZNOUNRVWTORISY-CYBMUJFWSA-N 1 0 219.372 3.750 20 0 BHADRO C1=CC[C@H](C[NH+](C2CCC2)C2CCC2)CC1 ZINC000430129150 201146229 /nfs/dbraw/zinc/14/62/29/201146229.db2.gz ZNOUNRVWTORISY-ZDUSSCGKSA-N 1 0 219.372 3.750 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)CC1CCCC1)OC ZINC000430131896 201147818 /nfs/dbraw/zinc/14/78/18/201147818.db2.gz NFSDUPTWVQSROF-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)CC1CCCC1)OC ZINC000430131897 201147620 /nfs/dbraw/zinc/14/76/20/201147620.db2.gz NFSDUPTWVQSROF-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)C[NH+](C1CCC1)C1CCC1 ZINC000430135556 206062003 /nfs/dbraw/zinc/06/20/03/206062003.db2.gz QYRQPKKGXFEHAQ-GFCCVEGCSA-N 1 0 209.377 3.830 20 0 BHADRO CCC[C@H](C)C[NH+](C1CCC1)C1CCC1 ZINC000430135557 201147266 /nfs/dbraw/zinc/14/72/66/201147266.db2.gz QYRQPKKGXFEHAQ-LBPRGKRZSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@@H](C[N@H+](C)C(C)(C)COC)c1ccccc1 ZINC000430136759 201147347 /nfs/dbraw/zinc/14/73/47/201147347.db2.gz UPSXAAVDPZJWOB-AWEZNQCLSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](C)C(C)(C)COC)c1ccccc1 ZINC000430136761 201146167 /nfs/dbraw/zinc/14/61/67/201146167.db2.gz UPSXAAVDPZJWOB-CQSZACIVSA-N 1 0 249.398 3.537 20 0 BHADRO Clc1ccc(C[NH+](C2CCC2)C2CCC2)o1 ZINC000430143191 201147678 /nfs/dbraw/zinc/14/76/78/201147678.db2.gz BKWLMJCQRRNXHY-UHFFFAOYSA-N 1 0 239.746 3.840 20 0 BHADRO CCC(CC)C[NH+](C1CCC1)C1CCC1 ZINC000430143215 201147844 /nfs/dbraw/zinc/14/78/44/201147844.db2.gz BOARWBILQCAJDP-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO Cc1ccc(C[NH+](C2CCC2)C2CCC2)s1 ZINC000430143750 201147410 /nfs/dbraw/zinc/14/74/10/201147410.db2.gz YCRGXSRGOSULCD-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO CCc1ccc(C[NH+](C2CCC2)C2CCC2)cn1 ZINC000430152184 201148669 /nfs/dbraw/zinc/14/86/69/201148669.db2.gz DDGFKAVUOUVOST-UHFFFAOYSA-N 1 0 244.382 3.551 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@H]1C(C)C)OC ZINC000430159043 201148969 /nfs/dbraw/zinc/14/89/69/201148969.db2.gz ZWQLESPSVDYWAQ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C(C)C)OC ZINC000430159044 201148935 /nfs/dbraw/zinc/14/89/35/201148935.db2.gz ZWQLESPSVDYWAQ-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1C(C)C)OC ZINC000430159045 201148482 /nfs/dbraw/zinc/14/84/82/201148482.db2.gz ZWQLESPSVDYWAQ-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1C(C)C)OC ZINC000430159046 201149024 /nfs/dbraw/zinc/14/90/24/201149024.db2.gz ZWQLESPSVDYWAQ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C[N@@H+]1CC[C@H]1CC)c1ccccc1 ZINC000430184453 201152359 /nfs/dbraw/zinc/15/23/59/201152359.db2.gz AONJLHSFEVKVEM-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C[N@@H+]1CC[C@@H]1CC)c1ccccc1 ZINC000430184454 201152748 /nfs/dbraw/zinc/15/27/48/201152748.db2.gz AONJLHSFEVKVEM-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C[N@@H+]1CC[C@H]1CC)c1ccccc1 ZINC000430184455 201152711 /nfs/dbraw/zinc/15/27/11/201152711.db2.gz AONJLHSFEVKVEM-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](C[N@@H+]1CC[C@@H]1CC)c1ccccc1 ZINC000430184457 201152501 /nfs/dbraw/zinc/15/25/01/201152501.db2.gz AONJLHSFEVKVEM-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000430185339 201152902 /nfs/dbraw/zinc/15/29/02/201152902.db2.gz DHABVOWWSSELMS-HNNXBMFYSA-N 1 0 217.356 3.596 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000430185342 201150251 /nfs/dbraw/zinc/15/02/51/201150251.db2.gz DHABVOWWSSELMS-OAHLLOKOSA-N 1 0 217.356 3.596 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1c(C)oc2ccccc21 ZINC000430185348 201152185 /nfs/dbraw/zinc/15/21/85/201152185.db2.gz DHMUUEIJTPNYAB-GFCCVEGCSA-N 1 0 229.323 3.726 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1c(C)oc2ccccc21 ZINC000430185350 201151801 /nfs/dbraw/zinc/15/18/01/201151801.db2.gz DHMUUEIJTPNYAB-LBPRGKRZSA-N 1 0 229.323 3.726 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc(C)c2ncccc2c1 ZINC000430191118 201151445 /nfs/dbraw/zinc/15/14/45/201151445.db2.gz FIBXTOCGFZAQAJ-HNNXBMFYSA-N 1 0 240.350 3.528 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc(C)c2ncccc2c1 ZINC000430191120 201152463 /nfs/dbraw/zinc/15/24/63/201152463.db2.gz FIBXTOCGFZAQAJ-OAHLLOKOSA-N 1 0 240.350 3.528 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000430191536 201152024 /nfs/dbraw/zinc/15/20/24/201152024.db2.gz KKGLFMSTRKLSPS-GFCCVEGCSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000430191538 201151107 /nfs/dbraw/zinc/15/11/07/201151107.db2.gz KKGLFMSTRKLSPS-LBPRGKRZSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc(OCC(C)C)cc1 ZINC000430191788 201151700 /nfs/dbraw/zinc/15/17/00/201151700.db2.gz HSNYERLVGLLKMG-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc(OCC(C)C)cc1 ZINC000430191789 201152253 /nfs/dbraw/zinc/15/22/53/201152253.db2.gz HSNYERLVGLLKMG-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cccc(OCC(C)C)c1 ZINC000430192697 201151585 /nfs/dbraw/zinc/15/15/85/201151585.db2.gz CXWXIXTULINAIQ-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cccc(OCC(C)C)c1 ZINC000430192699 201150708 /nfs/dbraw/zinc/15/07/08/201150708.db2.gz CXWXIXTULINAIQ-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(C)c1 ZINC000430192863 201151387 /nfs/dbraw/zinc/15/13/87/201151387.db2.gz DMRUUDSVDOSSHT-GFCCVEGCSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(C)c1 ZINC000430192865 201151598 /nfs/dbraw/zinc/15/15/98/201151598.db2.gz DMRUUDSVDOSSHT-LBPRGKRZSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1CCCCCOc1ccccc1 ZINC000430194710 201152316 /nfs/dbraw/zinc/15/23/16/201152316.db2.gz KGTKAGTZFRCCNP-HNNXBMFYSA-N 1 0 247.382 3.720 20 0 BHADRO CC[C@@H]1CC[N@@H+]1CCCCCOc1ccccc1 ZINC000430194711 201151795 /nfs/dbraw/zinc/15/17/95/201151795.db2.gz KGTKAGTZFRCCNP-OAHLLOKOSA-N 1 0 247.382 3.720 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000430195189 201150774 /nfs/dbraw/zinc/15/07/74/201150774.db2.gz NDSJIDPRTNSYMG-BRWVUGGUSA-N 1 0 243.394 3.981 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000430195190 201152918 /nfs/dbraw/zinc/15/29/18/201152918.db2.gz NDSJIDPRTNSYMG-IKGGRYGDSA-N 1 0 243.394 3.981 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000430195191 201152550 /nfs/dbraw/zinc/15/25/50/201152550.db2.gz NDSJIDPRTNSYMG-IXDOHACOSA-N 1 0 243.394 3.981 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000430195192 351219855 /nfs/dbraw/zinc/21/98/55/351219855.db2.gz NDSJIDPRTNSYMG-ZACQAIPSSA-N 1 0 243.394 3.981 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000430195325 201152573 /nfs/dbraw/zinc/15/25/73/201152573.db2.gz ZNINWEKDIWBKCO-AWEZNQCLSA-N 1 0 241.334 3.931 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000430195326 201152959 /nfs/dbraw/zinc/15/29/59/201152959.db2.gz ZNINWEKDIWBKCO-CQSZACIVSA-N 1 0 241.334 3.931 20 0 BHADRO CC[C@@H]1CC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000430197090 201152078 /nfs/dbraw/zinc/15/20/78/201152078.db2.gz UJFHMEZMQYKTMI-GFCCVEGCSA-N 1 0 241.737 3.506 20 0 BHADRO CC[C@H]1CC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000430197093 201150446 /nfs/dbraw/zinc/15/04/46/201150446.db2.gz UJFHMEZMQYKTMI-LBPRGKRZSA-N 1 0 241.737 3.506 20 0 BHADRO CCSc1cccc(C[N@@H+]2CC[C@H]2CC)c1 ZINC000430197638 201151320 /nfs/dbraw/zinc/15/13/20/201151320.db2.gz VUKHTFQCTZJYGT-CYBMUJFWSA-N 1 0 235.396 3.783 20 0 BHADRO CCSc1cccc(C[N@@H+]2CC[C@@H]2CC)c1 ZINC000430197640 201152139 /nfs/dbraw/zinc/15/21/39/201152139.db2.gz VUKHTFQCTZJYGT-ZDUSSCGKSA-N 1 0 235.396 3.783 20 0 BHADRO CC[C@@H]1CC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000430198091 201152282 /nfs/dbraw/zinc/15/22/82/201152282.db2.gz XRZSNOFKQAKFRZ-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000430198092 201151049 /nfs/dbraw/zinc/15/10/49/201151049.db2.gz XRZSNOFKQAKFRZ-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H]1CC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000430198093 201150900 /nfs/dbraw/zinc/15/09/00/201150900.db2.gz XRZSNOFKQAKFRZ-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000430198094 201152947 /nfs/dbraw/zinc/15/29/47/201152947.db2.gz XRZSNOFKQAKFRZ-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000430198479 201152307 /nfs/dbraw/zinc/15/23/07/201152307.db2.gz YRBFDMHPDOSRKT-AWEZNQCLSA-N 1 0 242.366 3.769 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000430198480 201152647 /nfs/dbraw/zinc/15/26/47/201152647.db2.gz YRBFDMHPDOSRKT-CQSZACIVSA-N 1 0 242.366 3.769 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000430198511 201151974 /nfs/dbraw/zinc/15/19/74/201151974.db2.gz RNNOWVJTHXEBJO-GFCCVEGCSA-N 1 0 233.286 3.556 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000430198512 201151399 /nfs/dbraw/zinc/15/13/99/201151399.db2.gz RNNOWVJTHXEBJO-LBPRGKRZSA-N 1 0 233.286 3.556 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000430198671 201151845 /nfs/dbraw/zinc/15/18/45/201151845.db2.gz ZNUMJRXFLZDQBO-BMOGTNHUSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H]1CC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000430198673 201151248 /nfs/dbraw/zinc/15/12/48/201151248.db2.gz ZNUMJRXFLZDQBO-FQNOHDAGSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000430198674 201150360 /nfs/dbraw/zinc/15/03/60/201150360.db2.gz ZNUMJRXFLZDQBO-HFBDAHEESA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H]1CC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000430198676 201151633 /nfs/dbraw/zinc/15/16/33/201151633.db2.gz ZNUMJRXFLZDQBO-HVCHUGMYSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccc2nc(C)sc2c1 ZINC000430199992 201153266 /nfs/dbraw/zinc/15/32/66/201153266.db2.gz VTDGINAZNAXQEM-GFCCVEGCSA-N 1 0 246.379 3.589 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccc2nc(C)sc2c1 ZINC000430199995 201154999 /nfs/dbraw/zinc/15/49/99/201154999.db2.gz VTDGINAZNAXQEM-LBPRGKRZSA-N 1 0 246.379 3.589 20 0 BHADRO CC[C@H]1CC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000430200319 201153741 /nfs/dbraw/zinc/15/37/41/201153741.db2.gz UKPWAYKORUBYJU-DOMZBBRYSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000430200320 201153990 /nfs/dbraw/zinc/15/39/90/201153990.db2.gz UKPWAYKORUBYJU-IUODEOHRSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@@H]1CC[N@@H+]1[C@@H](C)CCc1cccc(F)c1 ZINC000430200321 201153306 /nfs/dbraw/zinc/15/33/06/201153306.db2.gz UKPWAYKORUBYJU-SWLSCSKDSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@H]1CC[N@@H+]1[C@@H](C)CCc1cccc(F)c1 ZINC000430200323 201152677 /nfs/dbraw/zinc/15/26/77/201152677.db2.gz UKPWAYKORUBYJU-WFASDCNBSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000430204604 201154515 /nfs/dbraw/zinc/15/45/15/201154515.db2.gz LMCHKEDKTJQSBD-AWEZNQCLSA-N 1 0 242.366 3.769 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000430204606 201153109 /nfs/dbraw/zinc/15/31/09/201153109.db2.gz LMCHKEDKTJQSBD-CQSZACIVSA-N 1 0 242.366 3.769 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000430204765 201154947 /nfs/dbraw/zinc/15/49/47/201154947.db2.gz HVFPXBAYOUVYBA-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO CCSCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000430204769 201154156 /nfs/dbraw/zinc/15/41/56/201154156.db2.gz HVYPXDXWCHXWBS-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cccn1CCC(C)C ZINC000430209300 201153542 /nfs/dbraw/zinc/15/35/42/201153542.db2.gz WGCOIYUMIONGGM-AWEZNQCLSA-N 1 0 234.387 3.519 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cccn1CCC(C)C ZINC000430209302 201153259 /nfs/dbraw/zinc/15/32/59/201153259.db2.gz WGCOIYUMIONGGM-CQSZACIVSA-N 1 0 234.387 3.519 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000430217677 201155010 /nfs/dbraw/zinc/15/50/10/201155010.db2.gz KBYBGHZEBOXJRE-CYBMUJFWSA-N 1 0 243.350 3.556 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000430217679 201154551 /nfs/dbraw/zinc/15/45/51/201154551.db2.gz KBYBGHZEBOXJRE-ZDUSSCGKSA-N 1 0 243.350 3.556 20 0 BHADRO c1cc2c(cc1C[N@@H+]1CCC13CCC3)CCCC2 ZINC000430233659 201156969 /nfs/dbraw/zinc/15/69/69/201156969.db2.gz QXIZIQHZUNYUQW-UHFFFAOYSA-N 1 0 241.378 3.694 20 0 BHADRO C[N@H+](Cc1ccc2c(c1)CCCC2)C1CCC1 ZINC000430242096 201156143 /nfs/dbraw/zinc/15/61/43/201156143.db2.gz HUBFHKXLCSHXHK-UHFFFAOYSA-N 1 0 229.367 3.550 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c(C[NH+](C)C)c1 ZINC000430242439 201157001 /nfs/dbraw/zinc/15/70/01/201157001.db2.gz XSEVFIDZCQTNIF-DVOMOZLQSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)c(C[NH+](C)C)c1 ZINC000430242440 201155606 /nfs/dbraw/zinc/15/56/06/201155606.db2.gz XSEVFIDZCQTNIF-HEHGZKQESA-N 1 0 246.398 3.513 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)c(C[NH+](C)C)c1 ZINC000430242441 201156617 /nfs/dbraw/zinc/15/66/17/201156617.db2.gz XSEVFIDZCQTNIF-WOSRLPQWSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)c(C[NH+](C)C)c1 ZINC000430242442 201157111 /nfs/dbraw/zinc/15/71/11/201157111.db2.gz XSEVFIDZCQTNIF-XJKCOSOUSA-N 1 0 246.398 3.513 20 0 BHADRO COc1cccc([C@@H](C)[N@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000430261082 387603729 /nfs/dbraw/zinc/60/37/29/387603729.db2.gz IOPROPGSQAINHS-GXTWGEPZSA-N 1 0 245.366 3.654 20 0 BHADRO COc1cccc([C@H](C)[N@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000430261084 387603706 /nfs/dbraw/zinc/60/37/06/387603706.db2.gz IOPROPGSQAINHS-JSGCOSHPSA-N 1 0 245.366 3.654 20 0 BHADRO COc1cccc([C@H](C)[N@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000430261086 387603059 /nfs/dbraw/zinc/60/30/59/387603059.db2.gz IOPROPGSQAINHS-OCCSQVGLSA-N 1 0 245.366 3.654 20 0 BHADRO COc1cccc([C@@H](C)[N@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000430261088 387603186 /nfs/dbraw/zinc/60/31/86/387603186.db2.gz IOPROPGSQAINHS-TZMCWYRMSA-N 1 0 245.366 3.654 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(Cl)s2)C1 ZINC000430267085 385996969 /nfs/dbraw/zinc/99/69/69/385996969.db2.gz ISBVAWJFGRJAQN-SECBINFHSA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2ccc(Cl)s2)C1 ZINC000430267086 385998414 /nfs/dbraw/zinc/99/84/14/385998414.db2.gz ISBVAWJFGRJAQN-VIFPVBQESA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000430268681 387606208 /nfs/dbraw/zinc/60/62/08/387606208.db2.gz OBNVZBZRPFQUFA-AAEUAGOBSA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000430268782 387605960 /nfs/dbraw/zinc/60/59/60/387605960.db2.gz OBNVZBZRPFQUFA-DGCLKSJQSA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000430268783 387604390 /nfs/dbraw/zinc/60/43/90/387604390.db2.gz OBNVZBZRPFQUFA-WCQYABFASA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000430268784 387604409 /nfs/dbraw/zinc/60/44/09/387604409.db2.gz OBNVZBZRPFQUFA-YPMHNXCESA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000430268988 387606087 /nfs/dbraw/zinc/60/60/87/387606087.db2.gz OSJHCJUVIYFGGC-AAEUAGOBSA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000430268989 387604852 /nfs/dbraw/zinc/60/48/52/387604852.db2.gz OSJHCJUVIYFGGC-DGCLKSJQSA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000430268990 387606446 /nfs/dbraw/zinc/60/64/46/387606446.db2.gz OSJHCJUVIYFGGC-WCQYABFASA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000430268991 387606191 /nfs/dbraw/zinc/60/61/91/387606191.db2.gz OSJHCJUVIYFGGC-YPMHNXCESA-N 1 0 233.330 3.785 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](CCCc2ccsc2)C1 ZINC000430274437 387606059 /nfs/dbraw/zinc/60/60/59/387606059.db2.gz DVJAXJZQUUQWPM-GFCCVEGCSA-N 1 0 235.396 3.579 20 0 BHADRO CC1=C[C@H](C)C[N@H+](CCCc2ccsc2)C1 ZINC000430274442 387606561 /nfs/dbraw/zinc/60/65/61/387606561.db2.gz DVJAXJZQUUQWPM-LBPRGKRZSA-N 1 0 235.396 3.579 20 0 BHADRO CSc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1 ZINC000430276795 387607287 /nfs/dbraw/zinc/60/72/87/387607287.db2.gz LECBAFBTJRJJIP-GFCCVEGCSA-N 1 0 247.407 3.807 20 0 BHADRO CSc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1 ZINC000430276797 387607162 /nfs/dbraw/zinc/60/71/62/387607162.db2.gz LECBAFBTJRJJIP-LBPRGKRZSA-N 1 0 247.407 3.807 20 0 BHADRO CC1=C[C@H](C)C[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000430279660 411285163 /nfs/dbraw/zinc/28/51/63/411285163.db2.gz MYELLRAQBCCHBK-DZGCQCFKSA-N 1 0 229.367 3.688 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000430279661 411285408 /nfs/dbraw/zinc/28/54/08/411285408.db2.gz MYELLRAQBCCHBK-HIFRSBDPSA-N 1 0 229.367 3.688 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000430279662 411285234 /nfs/dbraw/zinc/28/52/34/411285234.db2.gz MYELLRAQBCCHBK-UKRRQHHQSA-N 1 0 229.367 3.688 20 0 BHADRO CC1=C[C@H](C)C[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000430279663 398226502 /nfs/dbraw/zinc/22/65/02/398226502.db2.gz MYELLRAQBCCHBK-ZFWWWQNUSA-N 1 0 229.367 3.688 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000430281429 398226098 /nfs/dbraw/zinc/22/60/98/398226098.db2.gz ZWIUQGXMDKREJP-GXTWGEPZSA-N 1 0 215.340 3.646 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000430281430 192866186 /nfs/dbraw/zinc/86/61/86/192866186.db2.gz ZWIUQGXMDKREJP-JSGCOSHPSA-N 1 0 215.340 3.646 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000430281431 398226088 /nfs/dbraw/zinc/22/60/88/398226088.db2.gz ZWIUQGXMDKREJP-OCCSQVGLSA-N 1 0 215.340 3.646 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000430281432 398226155 /nfs/dbraw/zinc/22/61/55/398226155.db2.gz ZWIUQGXMDKREJP-TZMCWYRMSA-N 1 0 215.340 3.646 20 0 BHADRO CC1=C[C@H](C)C[N@H+](CCCc2ccccc2)C1 ZINC000430283109 398226173 /nfs/dbraw/zinc/22/61/73/398226173.db2.gz IKXANLGYSYMBKD-AWEZNQCLSA-N 1 0 229.367 3.517 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](CCCc2ccccc2)C1 ZINC000430283110 192866338 /nfs/dbraw/zinc/86/63/38/192866338.db2.gz IKXANLGYSYMBKD-CQSZACIVSA-N 1 0 229.367 3.517 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430283692 398225977 /nfs/dbraw/zinc/22/59/77/398225977.db2.gz ZVVHQXIKVMZCKW-BDJLRTHQSA-N 1 0 245.341 3.711 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000430283694 398226005 /nfs/dbraw/zinc/22/60/05/398226005.db2.gz ZVVHQXIKVMZCKW-BZNIZROVSA-N 1 0 245.341 3.711 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430283696 398226307 /nfs/dbraw/zinc/22/63/07/398226307.db2.gz ZVVHQXIKVMZCKW-MEDUHNTESA-N 1 0 245.341 3.711 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000430283697 398226163 /nfs/dbraw/zinc/22/61/63/398226163.db2.gz ZVVHQXIKVMZCKW-ZBEGNZNMSA-N 1 0 245.341 3.711 20 0 BHADRO CSc1ccccc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430283824 398227057 /nfs/dbraw/zinc/22/70/57/398227057.db2.gz LGDZJJNGFNIYNH-GFCCVEGCSA-N 1 0 247.407 3.807 20 0 BHADRO CSc1ccccc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430283825 398227104 /nfs/dbraw/zinc/22/71/04/398227104.db2.gz LGDZJJNGFNIYNH-LBPRGKRZSA-N 1 0 247.407 3.807 20 0 BHADRO CC1=C[C@H](C)C[N@H+](CCCCC(F)(F)F)C1 ZINC000430284222 398226932 /nfs/dbraw/zinc/22/69/32/398226932.db2.gz NEESYDCWOCQGRY-JTQLQIEISA-N 1 0 235.293 3.617 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](CCCCC(F)(F)F)C1 ZINC000430284223 398227039 /nfs/dbraw/zinc/22/70/39/398227039.db2.gz NEESYDCWOCQGRY-SNVBAGLBSA-N 1 0 235.293 3.617 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000430691399 387641246 /nfs/dbraw/zinc/64/12/46/387641246.db2.gz MDSKAJMFMYJXAI-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000430691400 387641253 /nfs/dbraw/zinc/64/12/53/387641253.db2.gz MDSKAJMFMYJXAI-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000430691401 387641062 /nfs/dbraw/zinc/64/10/62/387641062.db2.gz MDSKAJMFMYJXAI-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000430691403 387639647 /nfs/dbraw/zinc/63/96/47/387639647.db2.gz MDSKAJMFMYJXAI-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOC(C)C ZINC000430692761 387640498 /nfs/dbraw/zinc/64/04/98/387640498.db2.gz VPSCZGSLIPQFOP-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCOC(C)C ZINC000430692762 387640820 /nfs/dbraw/zinc/64/08/20/387640820.db2.gz VPSCZGSLIPQFOP-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCOC(C)C ZINC000430692763 387639795 /nfs/dbraw/zinc/63/97/95/387639795.db2.gz VPSCZGSLIPQFOP-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOC(C)C ZINC000430692764 387641134 /nfs/dbraw/zinc/64/11/34/387641134.db2.gz VPSCZGSLIPQFOP-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccco1 ZINC000430693155 386297380 /nfs/dbraw/zinc/29/73/80/386297380.db2.gz ZSTUPIRCTGSMGF-GUTXKFCHSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCc1ccco1 ZINC000430693156 191898056 /nfs/dbraw/zinc/89/80/56/191898056.db2.gz ZSTUPIRCTGSMGF-GZBFAFLISA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccco1 ZINC000430693157 386295822 /nfs/dbraw/zinc/29/58/22/386295822.db2.gz ZSTUPIRCTGSMGF-NFAWXSAZSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1ccco1 ZINC000430693158 191898065 /nfs/dbraw/zinc/89/80/65/191898065.db2.gz ZSTUPIRCTGSMGF-UMVBOHGHSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000430700897 387640333 /nfs/dbraw/zinc/64/03/33/387640333.db2.gz TWXAMXLUSWXNSM-BJJXKVORSA-N 1 0 247.382 3.697 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000430700898 387640746 /nfs/dbraw/zinc/64/07/46/387640746.db2.gz TWXAMXLUSWXNSM-JGGQBBKZSA-N 1 0 247.382 3.697 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000430700899 387640960 /nfs/dbraw/zinc/64/09/60/387640960.db2.gz TWXAMXLUSWXNSM-XNRPHZJLSA-N 1 0 247.382 3.697 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000430700900 387640554 /nfs/dbraw/zinc/64/05/54/387640554.db2.gz TWXAMXLUSWXNSM-XPKDYRNWSA-N 1 0 247.382 3.697 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000430716320 387643062 /nfs/dbraw/zinc/64/30/62/387643062.db2.gz VHUOLEMQHRPTES-APHBMKBZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000430716321 387643393 /nfs/dbraw/zinc/64/33/93/387643393.db2.gz VHUOLEMQHRPTES-DAXOMENPSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000430716322 192886415 /nfs/dbraw/zinc/88/64/15/192886415.db2.gz VHUOLEMQHRPTES-MAZHCROVSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000430716323 387643419 /nfs/dbraw/zinc/64/34/19/387643419.db2.gz VHUOLEMQHRPTES-WQVCFCJDSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)C[N@H+](C)CCSCc1ccccc1 ZINC000430718180 387642629 /nfs/dbraw/zinc/64/26/29/387642629.db2.gz GLPXKOWNDZYJDE-UHFFFAOYSA-N 1 0 237.412 3.508 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCSCc1ccccc1 ZINC000430720084 386579764 /nfs/dbraw/zinc/57/97/64/386579764.db2.gz LYZKDKCYMDPSCF-CYBMUJFWSA-N 1 0 237.412 3.650 20 0 BHADRO CC[C@H](C)[N@H+](C)CCSCc1ccccc1 ZINC000430720085 386579868 /nfs/dbraw/zinc/57/98/68/386579868.db2.gz LYZKDKCYMDPSCF-ZDUSSCGKSA-N 1 0 237.412 3.650 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000430721355 387644919 /nfs/dbraw/zinc/64/49/19/387644919.db2.gz BZAIRGHQLKTNBQ-CYZMBNFOSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000430721357 387644762 /nfs/dbraw/zinc/64/47/62/387644762.db2.gz BZAIRGHQLKTNBQ-DRZSPHRISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000430721358 387644682 /nfs/dbraw/zinc/64/46/82/387644682.db2.gz BZAIRGHQLKTNBQ-UHTWSYAYSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000430721361 387644554 /nfs/dbraw/zinc/64/45/54/387644554.db2.gz BZAIRGHQLKTNBQ-WCFLWFBJSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000430721800 387645008 /nfs/dbraw/zinc/64/50/08/387645008.db2.gz DEIZMUNJTQLDGG-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000430721801 387643078 /nfs/dbraw/zinc/64/30/78/387643078.db2.gz DEIZMUNJTQLDGG-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000430721802 387642953 /nfs/dbraw/zinc/64/29/53/387642953.db2.gz DEIZMUNJTQLDGG-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000430721803 387642395 /nfs/dbraw/zinc/64/23/95/387642395.db2.gz DEIZMUNJTQLDGG-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[N@H+](CCSCc1ccccc1)C1CC1 ZINC000430726834 387644912 /nfs/dbraw/zinc/64/49/12/387644912.db2.gz WFANFSAFCKUYMT-UHFFFAOYSA-N 1 0 249.423 3.793 20 0 BHADRO C[N@H+](CCSCc1ccccc1)CC1CCC1 ZINC000430728671 387644174 /nfs/dbraw/zinc/64/41/74/387644174.db2.gz LNQQJNDUVBZQDE-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000430729299 387644660 /nfs/dbraw/zinc/64/46/60/387644660.db2.gz GHUOEBCLBPVISM-APHBMKBZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000430729301 387644795 /nfs/dbraw/zinc/64/47/95/387644795.db2.gz GHUOEBCLBPVISM-DAXOMENPSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000430729303 387644119 /nfs/dbraw/zinc/64/41/19/387644119.db2.gz GHUOEBCLBPVISM-MAZHCROVSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000430729304 192887194 /nfs/dbraw/zinc/88/71/94/192887194.db2.gz GHUOEBCLBPVISM-WQVCFCJDSA-N 1 0 246.398 3.694 20 0 BHADRO CC[N@H+](CCSCc1ccccc1)C(C)C ZINC000430730201 387644840 /nfs/dbraw/zinc/64/48/40/387644840.db2.gz QWCVQEMGMNAINL-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430731064 387643991 /nfs/dbraw/zinc/64/39/91/387643991.db2.gz UROFQIATJAZVNV-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430731065 387645506 /nfs/dbraw/zinc/64/55/06/387645506.db2.gz UROFQIATJAZVNV-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430731066 387644419 /nfs/dbraw/zinc/64/44/19/387644419.db2.gz UROFQIATJAZVNV-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430731067 387645500 /nfs/dbraw/zinc/64/55/00/387645500.db2.gz UROFQIATJAZVNV-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000430732262 387644610 /nfs/dbraw/zinc/64/46/10/387644610.db2.gz ZJFOPEZJDVDUCL-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000430732263 387644446 /nfs/dbraw/zinc/64/44/46/387644446.db2.gz ZJFOPEZJDVDUCL-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000430732264 387644397 /nfs/dbraw/zinc/64/43/97/387644397.db2.gz ZJFOPEZJDVDUCL-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000430732265 387644346 /nfs/dbraw/zinc/64/43/46/387644346.db2.gz ZJFOPEZJDVDUCL-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCCOC ZINC000430734649 387647514 /nfs/dbraw/zinc/64/75/14/387647514.db2.gz WPWDAIVWTMUBNO-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCCOC ZINC000430734650 192887202 /nfs/dbraw/zinc/88/72/02/192887202.db2.gz WPWDAIVWTMUBNO-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCCOC ZINC000430734651 387647403 /nfs/dbraw/zinc/64/74/03/387647403.db2.gz WPWDAIVWTMUBNO-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCCOC ZINC000430734652 387646532 /nfs/dbraw/zinc/64/65/32/387646532.db2.gz WPWDAIVWTMUBNO-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO C[N@H+](CCSCc1ccccc1)C1CCCC1 ZINC000430739509 387647291 /nfs/dbraw/zinc/64/72/91/387647291.db2.gz HVZXNRSMFHTGLJ-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO CC1([NH2+]CCSCc2ccccc2)CCCC1 ZINC000430743551 387647828 /nfs/dbraw/zinc/64/78/28/387647828.db2.gz LARQPHAWKBXIAF-UHFFFAOYSA-N 1 0 249.423 3.842 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000430745018 387647425 /nfs/dbraw/zinc/64/74/25/387647425.db2.gz VEQZUOPETRPVTA-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000430745019 387646396 /nfs/dbraw/zinc/64/63/96/387646396.db2.gz VEQZUOPETRPVTA-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000430745020 387646748 /nfs/dbraw/zinc/64/67/48/387646748.db2.gz VEQZUOPETRPVTA-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000430745021 192888948 /nfs/dbraw/zinc/88/89/48/192888948.db2.gz VEQZUOPETRPVTA-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430745928 387647667 /nfs/dbraw/zinc/64/76/67/387647667.db2.gz FYJDEWMSZDXXAH-SSDOTTSWSA-N 1 0 249.251 3.521 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430745931 387647012 /nfs/dbraw/zinc/64/70/12/387647012.db2.gz FYJDEWMSZDXXAH-ZETCQYMHSA-N 1 0 249.251 3.521 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCSCc1ccccc1 ZINC000430748012 387646150 /nfs/dbraw/zinc/64/61/50/387646150.db2.gz ZMYHHRWTBRNNEA-CYBMUJFWSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCSCc1ccccc1 ZINC000430748013 387646340 /nfs/dbraw/zinc/64/63/40/387646340.db2.gz ZMYHHRWTBRNNEA-ZDUSSCGKSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430749968 192888972 /nfs/dbraw/zinc/88/89/72/192888972.db2.gz MOFNATBBRYZQEL-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430749969 398230154 /nfs/dbraw/zinc/23/01/54/398230154.db2.gz MOFNATBBRYZQEL-QNWHQSFQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430749971 398229930 /nfs/dbraw/zinc/22/99/30/398229930.db2.gz MOFNATBBRYZQEL-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430749972 398229940 /nfs/dbraw/zinc/22/99/40/398229940.db2.gz MOFNATBBRYZQEL-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430750462 398230299 /nfs/dbraw/zinc/23/02/99/398230299.db2.gz NWZLRENSXDNKIB-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430750463 192889262 /nfs/dbraw/zinc/88/92/62/192889262.db2.gz NWZLRENSXDNKIB-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430750464 398230295 /nfs/dbraw/zinc/23/02/95/398230295.db2.gz NWZLRENSXDNKIB-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430750465 387646864 /nfs/dbraw/zinc/64/68/64/387646864.db2.gz NWZLRENSXDNKIB-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC1=CC[N@H+](CCSCc2ccccc2)CC1 ZINC000430750585 398230012 /nfs/dbraw/zinc/23/00/12/398230012.db2.gz BYMNEFWSRQJXIP-UHFFFAOYSA-N 1 0 247.407 3.572 20 0 BHADRO CCC(CC)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430751795 398230260 /nfs/dbraw/zinc/23/02/60/398230260.db2.gz ZWVLCEBGGXQSHV-UHFFFAOYSA-N 1 0 249.251 3.521 20 0 BHADRO CCC[N@H+](CC)CCSCc1ccccc1 ZINC000430751960 398230384 /nfs/dbraw/zinc/23/03/84/398230384.db2.gz DLQPWQVEUVKQCW-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO CCC1(C[NH2+]CCSCc2ccccc2)CC1 ZINC000430754614 398230355 /nfs/dbraw/zinc/23/03/55/398230355.db2.gz FLPIUGNJUXUWAJ-UHFFFAOYSA-N 1 0 249.423 3.700 20 0 BHADRO CC1(CC[NH2+]CCSCc2ccccc2)CC1 ZINC000430754929 398229902 /nfs/dbraw/zinc/22/99/02/398229902.db2.gz GNUYXDAWKFWCKL-UHFFFAOYSA-N 1 0 249.423 3.700 20 0 BHADRO CC[N@H+](CCSCc1ccccc1)CC1CC1 ZINC000430755672 398230364 /nfs/dbraw/zinc/23/03/64/398230364.db2.gz RDAQCCGUXKBQIP-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO CC1(C[NH2+]CCSCc2ccccc2)CCC1 ZINC000430756379 192889071 /nfs/dbraw/zinc/88/90/71/192889071.db2.gz LRJVWOVJWNMETL-UHFFFAOYSA-N 1 0 249.423 3.700 20 0 BHADRO C[N@H+](CCSCc1ccccc1)CCC1CC1 ZINC000430757264 398230447 /nfs/dbraw/zinc/23/04/47/398230447.db2.gz VNQVQJNCCSVYBP-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO CC[N@H+](CCSCc1ccccc1)C1CCC1 ZINC000430759401 398230960 /nfs/dbraw/zinc/23/09/60/398230960.db2.gz GGJAQLJBPIQIQX-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1CCSCc1ccccc1 ZINC000430761804 398230846 /nfs/dbraw/zinc/23/08/46/398230846.db2.gz MRIJWOUHVUGUPU-HNNXBMFYSA-N 1 0 249.423 3.650 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1CCSCc1ccccc1 ZINC000430761805 398231219 /nfs/dbraw/zinc/23/12/19/398231219.db2.gz MRIJWOUHVUGUPU-OAHLLOKOSA-N 1 0 249.423 3.650 20 0 BHADRO CCC1([NH2+]CCSCc2ccccc2)CCC1 ZINC000430762199 398231338 /nfs/dbraw/zinc/23/13/38/398231338.db2.gz LBEIBWRRAJJZHZ-UHFFFAOYSA-N 1 0 249.423 3.842 20 0 BHADRO CC(C)=CCC[NH2+]CCSCc1ccccc1 ZINC000430762707 386990811 /nfs/dbraw/zinc/99/08/11/386990811.db2.gz MCDCKEGBCWXJMR-UHFFFAOYSA-N 1 0 249.423 3.866 20 0 BHADRO c1ccc(CSCC[N@@H+]2CCC23CCC3)cc1 ZINC000430765219 398232233 /nfs/dbraw/zinc/23/22/33/398232233.db2.gz VCOHSSAJHFVWII-UHFFFAOYSA-N 1 0 247.407 3.548 20 0 BHADRO CCCC[N@H+](C)CCSCc1ccccc1 ZINC000430767256 398232162 /nfs/dbraw/zinc/23/21/62/398232162.db2.gz ZYOUMLVAHWBPBE-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO C(C1CCC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430771365 387648477 /nfs/dbraw/zinc/64/84/77/387648477.db2.gz YYIMBTUAJCZKIE-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CCCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430773088 192890857 /nfs/dbraw/zinc/89/08/57/192890857.db2.gz QDFVNQQDCNPGOC-UHFFFAOYSA-N 1 0 227.417 3.538 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000430869871 387657083 /nfs/dbraw/zinc/65/70/83/387657083.db2.gz RKJHMJBUDRGRSO-GFCCVEGCSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000430869873 387656129 /nfs/dbraw/zinc/65/61/29/387656129.db2.gz RKJHMJBUDRGRSO-LBPRGKRZSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000430869886 387655441 /nfs/dbraw/zinc/65/54/41/387655441.db2.gz RNIURCRFIGZAEG-DHCBQETCSA-N 1 0 245.341 3.737 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000430869887 387655407 /nfs/dbraw/zinc/65/54/07/387655407.db2.gz RNIURCRFIGZAEG-ITDFMYJTSA-N 1 0 245.341 3.737 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000430869889 387656710 /nfs/dbraw/zinc/65/67/10/387656710.db2.gz RNIURCRFIGZAEG-OOPCZODUSA-N 1 0 245.341 3.737 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000430869891 387656961 /nfs/dbraw/zinc/65/69/61/387656961.db2.gz RNIURCRFIGZAEG-SCOBNMCVSA-N 1 0 245.341 3.737 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2ccsc2Cl)C1 ZINC000430873877 387656369 /nfs/dbraw/zinc/65/63/69/387656369.db2.gz AKCWGUZKYVISFN-SECBINFHSA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2ccsc2Cl)C1 ZINC000430873878 387656321 /nfs/dbraw/zinc/65/63/21/387656321.db2.gz AKCWGUZKYVISFN-VIFPVBQESA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000430875987 387656222 /nfs/dbraw/zinc/65/62/22/387656222.db2.gz PNCFYCFYKHFCFV-IAOVAPTHSA-N 1 0 241.378 3.688 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000430875988 387657099 /nfs/dbraw/zinc/65/70/99/387657099.db2.gz PNCFYCFYKHFCFV-JQFCIGGWSA-N 1 0 241.378 3.688 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000430875989 387656985 /nfs/dbraw/zinc/65/69/85/387656985.db2.gz PNCFYCFYKHFCFV-RRQGHBQHSA-N 1 0 241.378 3.688 20 0 BHADRO CC1=C[C@H](C)C[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000430875990 387656288 /nfs/dbraw/zinc/65/62/88/387656288.db2.gz PNCFYCFYKHFCFV-XKQJLSEDSA-N 1 0 241.378 3.688 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2cc(Cl)cs2)C1 ZINC000430879264 387655898 /nfs/dbraw/zinc/65/58/98/387655898.db2.gz NFFRYMYURAJFBL-SECBINFHSA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2cc(Cl)cs2)C1 ZINC000430879266 387656669 /nfs/dbraw/zinc/65/66/69/387656669.db2.gz NFFRYMYURAJFBL-VIFPVBQESA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2coc3ccccc23)C1 ZINC000430879901 387657205 /nfs/dbraw/zinc/65/72/05/387657205.db2.gz VLDAROPVYPEDDU-GFCCVEGCSA-N 1 0 241.334 3.831 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2coc3ccccc23)C1 ZINC000430879902 387657140 /nfs/dbraw/zinc/65/71/40/387657140.db2.gz VLDAROPVYPEDDU-LBPRGKRZSA-N 1 0 241.334 3.831 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000430881476 387656094 /nfs/dbraw/zinc/65/60/94/387656094.db2.gz BLYNYOUIGMPJGR-GFCCVEGCSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000430881477 387657388 /nfs/dbraw/zinc/65/73/88/387657388.db2.gz BLYNYOUIGMPJGR-LBPRGKRZSA-N 1 0 240.350 3.566 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@H+](C)CC1CC1 ZINC000431601348 192148042 /nfs/dbraw/zinc/14/80/42/192148042.db2.gz SEODCXNZPGHFRF-CYBMUJFWSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H](CCSc1ccccc1)[N@H+](C)CC1CC1 ZINC000431601349 192148169 /nfs/dbraw/zinc/14/81/69/192148169.db2.gz SEODCXNZPGHFRF-ZDUSSCGKSA-N 1 0 249.423 3.899 20 0 BHADRO CCC[N@H+](C)[C@H](C)CCSc1ccccc1 ZINC000431601835 387719528 /nfs/dbraw/zinc/71/95/28/387719528.db2.gz UZWOKNSIOCIQFD-CYBMUJFWSA-N 1 0 237.412 3.899 20 0 BHADRO CCC[N@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000431601836 387719371 /nfs/dbraw/zinc/71/93/71/387719371.db2.gz UZWOKNSIOCIQFD-ZDUSSCGKSA-N 1 0 237.412 3.899 20 0 BHADRO C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C)C1 ZINC000431605590 387722661 /nfs/dbraw/zinc/72/26/61/387722661.db2.gz SHODNTXHZUMYPC-KBPBESRZSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C)C1 ZINC000431605591 387721429 /nfs/dbraw/zinc/72/14/29/387721429.db2.gz SHODNTXHZUMYPC-KGLIPLIRSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C)C1 ZINC000431605592 387722612 /nfs/dbraw/zinc/72/26/12/387722612.db2.gz SHODNTXHZUMYPC-UONOGXRCSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C)C1 ZINC000431605593 387721277 /nfs/dbraw/zinc/72/12/77/387721277.db2.gz SHODNTXHZUMYPC-ZIAGYGMSSA-N 1 0 249.423 3.899 20 0 BHADRO CCC[N@@H+](Cc1cccc(OCC)c1)CC1CC1 ZINC000431708683 387728228 /nfs/dbraw/zinc/72/82/28/387728228.db2.gz IWUXKYWCPDNYFD-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432011142 387744413 /nfs/dbraw/zinc/74/44/13/387744413.db2.gz GVAZLNVKDGCIJJ-AWEZNQCLSA-N 1 0 239.309 3.902 20 0 BHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432011143 387742806 /nfs/dbraw/zinc/74/28/06/387742806.db2.gz GVAZLNVKDGCIJJ-CQSZACIVSA-N 1 0 239.309 3.902 20 0 BHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432013064 387745701 /nfs/dbraw/zinc/74/57/01/387745701.db2.gz PLDOWHJGYVYHLK-CYBMUJFWSA-N 1 0 225.282 3.512 20 0 BHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432013065 387745940 /nfs/dbraw/zinc/74/59/40/387745940.db2.gz PLDOWHJGYVYHLK-ZDUSSCGKSA-N 1 0 225.282 3.512 20 0 BHADRO Cc1ccccc1SCC[C@H]1CCC[N@H+]1C ZINC000432235670 387775617 /nfs/dbraw/zinc/77/56/17/387775617.db2.gz LCWZCIZWFRXHOS-CYBMUJFWSA-N 1 0 235.396 3.571 20 0 BHADRO Cc1ccccc1SCC[C@@H]1CCC[N@H+]1C ZINC000432235671 387774451 /nfs/dbraw/zinc/77/44/51/387774451.db2.gz LCWZCIZWFRXHOS-ZDUSSCGKSA-N 1 0 235.396 3.571 20 0 BHADRO Cc1cccc(SCC[C@H]2CCC[N@H+]2C)c1 ZINC000432241643 387777142 /nfs/dbraw/zinc/77/71/42/387777142.db2.gz QVNKNMKDJWNMHZ-CYBMUJFWSA-N 1 0 235.396 3.571 20 0 BHADRO Cc1cccc(SCC[C@@H]2CCC[N@H+]2C)c1 ZINC000432241644 387777231 /nfs/dbraw/zinc/77/72/31/387777231.db2.gz QVNKNMKDJWNMHZ-ZDUSSCGKSA-N 1 0 235.396 3.571 20 0 BHADRO CC(C)(C)C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432242930 192937020 /nfs/dbraw/zinc/93/70/20/192937020.db2.gz QCSXZOLRHNZUPO-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)OC1CC(CC[NH2+]C2CCCC2)C1 ZINC000432246723 192936728 /nfs/dbraw/zinc/93/67/28/192936728.db2.gz PCPKAKSVNLCLJV-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc(SCC[C@H]2CCC[N@H+]2C)cc1 ZINC000432246940 387777750 /nfs/dbraw/zinc/77/77/50/387777750.db2.gz OPFYHFXKEVYEQV-CYBMUJFWSA-N 1 0 235.396 3.571 20 0 BHADRO Cc1ccc(SCC[C@@H]2CCC[N@H+]2C)cc1 ZINC000432246941 387777993 /nfs/dbraw/zinc/77/79/93/387777993.db2.gz OPFYHFXKEVYEQV-ZDUSSCGKSA-N 1 0 235.396 3.571 20 0 BHADRO CC[C@H](C)C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432250983 387776864 /nfs/dbraw/zinc/77/68/64/387776864.db2.gz OZEWIMMAVIUBTA-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432250984 387778043 /nfs/dbraw/zinc/77/80/43/387778043.db2.gz OZEWIMMAVIUBTA-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000432361145 537866551 /nfs/dbraw/zinc/86/65/51/537866551.db2.gz YCNGCJVATFKAIL-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000432361146 537865695 /nfs/dbraw/zinc/86/56/95/537865695.db2.gz YCNGCJVATFKAIL-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000432361147 537865083 /nfs/dbraw/zinc/86/50/83/537865083.db2.gz YCNGCJVATFKAIL-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000432361148 537865855 /nfs/dbraw/zinc/86/58/55/537865855.db2.gz YCNGCJVATFKAIL-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432413804 192942160 /nfs/dbraw/zinc/94/21/60/192942160.db2.gz OSIXQSSPGRFCJK-UHFFFAOYSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418971 387789263 /nfs/dbraw/zinc/78/92/63/387789263.db2.gz XVDULSXMPOAMDP-HSBZDZAISA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418972 387788415 /nfs/dbraw/zinc/78/84/15/387788415.db2.gz XVDULSXMPOAMDP-IYXRBSQSSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432422046 192942443 /nfs/dbraw/zinc/94/24/43/192942443.db2.gz CFIYZFMKTGKQFR-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432422047 387788499 /nfs/dbraw/zinc/78/84/99/387788499.db2.gz CFIYZFMKTGKQFR-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000432737138 387812970 /nfs/dbraw/zinc/81/29/70/387812970.db2.gz AZDHCPWZKLHNFT-UHFFFAOYSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432737732 387811180 /nfs/dbraw/zinc/81/11/80/387811180.db2.gz FCXVSZNIBAKLDW-MRVPVSSYSA-N 1 0 249.301 3.609 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432737733 387812136 /nfs/dbraw/zinc/81/21/36/387812136.db2.gz FCXVSZNIBAKLDW-QMMMGPOBSA-N 1 0 249.301 3.609 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(F)(F)F)s1 ZINC000432739972 387811233 /nfs/dbraw/zinc/81/12/33/387811233.db2.gz UGYDDZVVHIIACM-UHFFFAOYSA-N 1 0 237.290 3.609 20 0 BHADRO C[N@H+](Cc1ccc(C(F)(F)F)s1)C1CCC1 ZINC000432742208 387812563 /nfs/dbraw/zinc/81/25/63/387812563.db2.gz QYIVONQQZZLBQH-UHFFFAOYSA-N 1 0 249.301 3.751 20 0 BHADRO C[N@@H+](Cc1ccc(C(F)(F)F)s1)CC1CC1 ZINC000432742490 387811457 /nfs/dbraw/zinc/81/14/57/387811457.db2.gz SRVKDQFHUAAYDP-UHFFFAOYSA-N 1 0 249.301 3.609 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432743557 387812844 /nfs/dbraw/zinc/81/28/44/387812844.db2.gz WBWXASYSTGDFFR-UHFFFAOYSA-N 1 0 237.290 3.607 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432746222 387812979 /nfs/dbraw/zinc/81/29/79/387812979.db2.gz YUSINVDZWCMIQR-MRVPVSSYSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432746223 387811709 /nfs/dbraw/zinc/81/17/09/387811709.db2.gz YUSINVDZWCMIQR-QMMMGPOBSA-N 1 0 249.301 3.751 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432747499 387812509 /nfs/dbraw/zinc/81/25/09/387812509.db2.gz OWTLGZUIQUHQBA-UHFFFAOYSA-N 1 0 237.290 3.609 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CC1(C)CCC1)C1CC1 ZINC000432776226 387816228 /nfs/dbraw/zinc/81/62/28/387816228.db2.gz MCBVURZJUKKYQI-GFCCVEGCSA-N 1 0 233.355 3.995 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CC1(C)CCC1)C1CC1 ZINC000432776228 387355144 /nfs/dbraw/zinc/35/51/44/387355144.db2.gz MCBVURZJUKKYQI-LBPRGKRZSA-N 1 0 233.355 3.995 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000432786173 387819255 /nfs/dbraw/zinc/81/92/55/387819255.db2.gz CCCQHLWSAGUNCL-JTQLQIEISA-N 1 0 239.746 3.698 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000432786176 387820301 /nfs/dbraw/zinc/82/03/01/387820301.db2.gz CCCQHLWSAGUNCL-SNVBAGLBSA-N 1 0 239.746 3.698 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432787024 387820074 /nfs/dbraw/zinc/82/00/74/387820074.db2.gz QUMQRSPMGOHRCD-GXSJLCMTSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432787028 387819285 /nfs/dbraw/zinc/81/92/85/387819285.db2.gz QUMQRSPMGOHRCD-KOLCDFICSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432787030 387820965 /nfs/dbraw/zinc/82/09/65/387820965.db2.gz QUMQRSPMGOHRCD-MWLCHTKSSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432787031 387818922 /nfs/dbraw/zinc/81/89/22/387818922.db2.gz QUMQRSPMGOHRCD-ONGXEEELSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000432788800 387819925 /nfs/dbraw/zinc/81/99/25/387819925.db2.gz MNBGUTOVENFFFC-BOSPYUDASA-N 1 0 241.378 3.964 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000432788801 387820179 /nfs/dbraw/zinc/82/01/79/387820179.db2.gz MNBGUTOVENFFFC-FUVBFXSKSA-N 1 0 241.378 3.964 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C/C=C\c1ccccc1 ZINC000432788802 192957670 /nfs/dbraw/zinc/95/76/70/192957670.db2.gz MNBGUTOVENFFFC-HMZQOCAUSA-N 1 0 241.378 3.964 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C/C=C\c1ccccc1 ZINC000432788803 387820992 /nfs/dbraw/zinc/82/09/92/387820992.db2.gz MNBGUTOVENFFFC-ZHMISCPASA-N 1 0 241.378 3.964 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccsc1 ZINC000432789278 387820249 /nfs/dbraw/zinc/82/02/49/387820249.db2.gz QUSYHXPQVJMCQN-LLVKDONJSA-N 1 0 221.369 3.513 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccsc1 ZINC000432789279 387819632 /nfs/dbraw/zinc/81/96/32/387819632.db2.gz QUSYHXPQVJMCQN-NSHDSACASA-N 1 0 221.369 3.513 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1CCc1ccccc1F ZINC000432790411 387820588 /nfs/dbraw/zinc/82/05/88/387820588.db2.gz WRQHWTQUVTYLIJ-CYBMUJFWSA-N 1 0 247.357 3.633 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1CCc1ccccc1F ZINC000432790412 387819764 /nfs/dbraw/zinc/81/97/64/387819764.db2.gz WRQHWTQUVTYLIJ-ZDUSSCGKSA-N 1 0 247.357 3.633 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CC=CCC1 ZINC000432791186 387819068 /nfs/dbraw/zinc/81/90/68/387819068.db2.gz ZAVLJGHQOGBMEV-KBPBESRZSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CC=CCC1 ZINC000432791190 387820333 /nfs/dbraw/zinc/82/03/33/387820333.db2.gz ZAVLJGHQOGBMEV-KGLIPLIRSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC000432791192 387819505 /nfs/dbraw/zinc/81/95/05/387819505.db2.gz ZAVLJGHQOGBMEV-UONOGXRCSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC000432791195 387819054 /nfs/dbraw/zinc/81/90/54/387819054.db2.gz ZAVLJGHQOGBMEV-ZIAGYGMSSA-N 1 0 219.372 3.607 20 0 BHADRO CC1(C[N@@H+]2Cc3ccccc3C3(CC3)C2)CCC1 ZINC000432794256 387822751 /nfs/dbraw/zinc/82/27/51/387822751.db2.gz AITGODONQNSDGT-UHFFFAOYSA-N 1 0 241.378 3.724 20 0 BHADRO Cc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)s1 ZINC000432797460 387822541 /nfs/dbraw/zinc/82/25/41/387822541.db2.gz LUMRFTOJOMUIQU-LLVKDONJSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)s1 ZINC000432797461 387822017 /nfs/dbraw/zinc/82/20/17/387822017.db2.gz LUMRFTOJOMUIQU-NSHDSACASA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000432797489 387822287 /nfs/dbraw/zinc/82/22/87/387822287.db2.gz FCUVOWNJONTIIE-GFCCVEGCSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000432797490 387823996 /nfs/dbraw/zinc/82/39/96/387823996.db2.gz FCUVOWNJONTIIE-LBPRGKRZSA-N 1 0 235.396 3.821 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000432800179 387823582 /nfs/dbraw/zinc/82/35/82/387823582.db2.gz LCIOCDQWAZLIDP-GFCCVEGCSA-N 1 0 233.330 3.590 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000432800180 192960166 /nfs/dbraw/zinc/96/01/66/192960166.db2.gz LCIOCDQWAZLIDP-LBPRGKRZSA-N 1 0 233.330 3.590 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(F)c1 ZINC000432802294 387824950 /nfs/dbraw/zinc/82/49/50/387824950.db2.gz ZDPUHKUZXHBPLV-GFCCVEGCSA-N 1 0 233.330 3.590 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(F)c1 ZINC000432802295 387824560 /nfs/dbraw/zinc/82/45/60/387824560.db2.gz ZDPUHKUZXHBPLV-LBPRGKRZSA-N 1 0 233.330 3.590 20 0 BHADRO C[N@H+](Cc1cc(F)cc(F)c1)CC1(C)CCC1 ZINC000432809571 387825602 /nfs/dbraw/zinc/82/56/02/387825602.db2.gz QIUTVBDJGXEUFX-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)CC1(C)CCC1 ZINC000432810391 387825884 /nfs/dbraw/zinc/82/58/84/387825884.db2.gz WRCIVSXVLPVVNE-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC1(C[NH2+]C2(c3ccccc3)CCC2)CCC1 ZINC000432814077 387825034 /nfs/dbraw/zinc/82/50/34/387825034.db2.gz RDAYIPMPJUVNPN-UHFFFAOYSA-N 1 0 229.367 3.846 20 0 BHADRO CCCC[NH+](CCCC)CCC1CCOCC1 ZINC000432815578 192961536 /nfs/dbraw/zinc/96/15/36/192961536.db2.gz IDZPYZQDDZDTKD-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccs1 ZINC000432815854 387827121 /nfs/dbraw/zinc/82/71/21/387827121.db2.gz KUTDODKVGYYOHB-LLVKDONJSA-N 1 0 221.369 3.513 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccs1 ZINC000432815855 387827737 /nfs/dbraw/zinc/82/77/37/387827737.db2.gz KUTDODKVGYYOHB-NSHDSACASA-N 1 0 221.369 3.513 20 0 BHADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC1(C)CCC1 ZINC000432820425 387827603 /nfs/dbraw/zinc/82/76/03/387827603.db2.gz ZQJFHBZKJJSARZ-HNNXBMFYSA-N 1 0 246.398 3.742 20 0 BHADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CC1(C)CCC1 ZINC000432820430 387827567 /nfs/dbraw/zinc/82/75/67/387827567.db2.gz ZQJFHBZKJJSARZ-OAHLLOKOSA-N 1 0 246.398 3.742 20 0 BHADRO CC1(C[N@H+](CCC(F)(F)F)CC2CC2)CCC1 ZINC000432821468 387827707 /nfs/dbraw/zinc/82/77/07/387827707.db2.gz JZDLQUVSYCIYCO-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC2(C)CCC2)C1 ZINC000432825895 387831000 /nfs/dbraw/zinc/83/10/00/387831000.db2.gz VZOXCRPQCZLUEN-CHWSQXEVSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC2(C)CCC2)C1 ZINC000432825896 387830317 /nfs/dbraw/zinc/83/03/17/387830317.db2.gz VZOXCRPQCZLUEN-OLZOCXBDSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC2(C)CCC2)C1 ZINC000432825897 387829958 /nfs/dbraw/zinc/82/99/58/387829958.db2.gz VZOXCRPQCZLUEN-QWHCGFSZSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CC2(C)CCC2)C1 ZINC000432825898 387831342 /nfs/dbraw/zinc/83/13/42/387831342.db2.gz VZOXCRPQCZLUEN-STQMWFEESA-N 1 0 241.444 3.783 20 0 BHADRO CC1(C[N@@H+]2CC[C@H]2c2ccccc2)CCC1 ZINC000432830246 537868556 /nfs/dbraw/zinc/86/85/56/537868556.db2.gz QHJMJTOJXJVXJZ-AWEZNQCLSA-N 1 0 215.340 3.624 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H]2c2ccccc2)CCC1 ZINC000432830247 537867973 /nfs/dbraw/zinc/86/79/73/537867973.db2.gz QHJMJTOJXJVXJZ-CQSZACIVSA-N 1 0 215.340 3.624 20 0 BHADRO CC(C)[N@H+](CC1(C)CCC1)C1CCCC1 ZINC000432831105 387830419 /nfs/dbraw/zinc/83/04/19/387830419.db2.gz IHLVBKDDCRVWFI-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2(C)CCC2)C1 ZINC000432862475 387834449 /nfs/dbraw/zinc/83/44/49/387834449.db2.gz ZCPQNGNESBRFAE-DZGCQCFKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2(C)CCC2)C1 ZINC000432862477 387834621 /nfs/dbraw/zinc/83/46/21/387834621.db2.gz ZCPQNGNESBRFAE-HIFRSBDPSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2(C)CCC2)C1 ZINC000432862478 387834190 /nfs/dbraw/zinc/83/41/90/387834190.db2.gz ZCPQNGNESBRFAE-UKRRQHHQSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2(C)CCC2)C1 ZINC000432862479 192966519 /nfs/dbraw/zinc/96/65/19/192966519.db2.gz ZCPQNGNESBRFAE-ZFWWWQNUSA-N 1 0 244.382 3.655 20 0 BHADRO CCC(CC)C[N@H+](CC)CCC1CCOCC1 ZINC000432923702 387842201 /nfs/dbraw/zinc/84/22/01/387842201.db2.gz HTNKMGJXTZQYBB-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1ccccc1C[N@@H+](C)CC1(C)CCC1 ZINC000432928069 387843454 /nfs/dbraw/zinc/84/34/54/387843454.db2.gz KTPDAHROAURTMV-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCOc1ccc(C[N@H+](C)CC2(C)CCC2)cc1 ZINC000432928372 387843361 /nfs/dbraw/zinc/84/33/61/387843361.db2.gz MJZRWDCRCXQKNX-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)[N@H+](Cc1ccco1)CC1(C)CCC1 ZINC000432931471 387844046 /nfs/dbraw/zinc/84/40/46/387844046.db2.gz BZCWOLVYTBPXDC-UHFFFAOYSA-N 1 0 221.344 3.680 20 0 BHADRO CCOc1ccccc1C[N@H+](C)CC1(C)CCC1 ZINC000432931726 387844570 /nfs/dbraw/zinc/84/45/70/387844570.db2.gz DSRSIZKAXNDDKS-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1cc(C)cc(N(C)CCC2CCOCC2)c1 ZINC000432932722 387840718 /nfs/dbraw/zinc/84/07/18/387840718.db2.gz QSKKDNSXKHOZOJ-UHFFFAOYSA-N 1 0 247.382 3.556 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1F)CC1(C)CCC1 ZINC000432936276 387842800 /nfs/dbraw/zinc/84/28/00/387842800.db2.gz FMDQHZVHLNAKGN-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccc(C[N@@H+](C)CC2(C)CCC2)s1 ZINC000432936613 387843311 /nfs/dbraw/zinc/84/33/11/387843311.db2.gz HCHATCIAIIXCQL-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCCCC[N@H+](CCC1CCOCC1)C(C)C ZINC000432937105 387842857 /nfs/dbraw/zinc/84/28/57/387842857.db2.gz JDJODSDUVVPCOP-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)CC1(C)CCC1 ZINC000432937210 387843334 /nfs/dbraw/zinc/84/33/34/387843334.db2.gz GUCLZSZEBZLMBU-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)CC2(C)CCC2)cc1 ZINC000432938376 387842816 /nfs/dbraw/zinc/84/28/16/387842816.db2.gz NJYVPEAMQPEGII-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)CC2(C)CCC2)cc1 ZINC000432938377 387843105 /nfs/dbraw/zinc/84/31/05/387843105.db2.gz NJYVPEAMQPEGII-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CC[N@H+](CCc1cccs1)CC1(C)CCC1 ZINC000432944130 387846077 /nfs/dbraw/zinc/84/60/77/387846077.db2.gz LKAWTOSJUVZDML-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO c1cc(CCC[NH2+][C@@H]2CC3CCC2CC3)cs1 ZINC000432994776 387848268 /nfs/dbraw/zinc/84/82/68/387848268.db2.gz PGHYCZWDNQYJFU-PESDSKBTSA-N 1 0 249.423 3.849 20 0 BHADRO c1cc(CCC[NH2+][C@H]2CC3CCC2CC3)cs1 ZINC000432994780 387848023 /nfs/dbraw/zinc/84/80/23/387848023.db2.gz PGHYCZWDNQYJFU-ZALBZXLWSA-N 1 0 249.423 3.849 20 0 BHADRO CCCCSCC[N@H+](C)Cc1ccccc1 ZINC000433016571 387851226 /nfs/dbraw/zinc/85/12/26/387851226.db2.gz RWMLKWXAMDCIDW-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO C[N@H+](CCSCCC1CC1)Cc1ccccc1 ZINC000433018596 387850910 /nfs/dbraw/zinc/85/09/10/387850910.db2.gz FHGCIVGFBPLKGV-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO Cc1ccccc1C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000433024354 387852668 /nfs/dbraw/zinc/85/26/68/387852668.db2.gz WTLPSLYAPWGVBI-AWEZNQCLSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccccc1C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000433024357 387852646 /nfs/dbraw/zinc/85/26/46/387852646.db2.gz WTLPSLYAPWGVBI-CQSZACIVSA-N 1 0 229.367 3.760 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1F ZINC000433025118 387852132 /nfs/dbraw/zinc/85/21/32/387852132.db2.gz HRPDGSNMMSUZPF-GFCCVEGCSA-N 1 0 233.330 3.590 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1F ZINC000433025119 387852267 /nfs/dbraw/zinc/85/22/67/387852267.db2.gz HRPDGSNMMSUZPF-LBPRGKRZSA-N 1 0 233.330 3.590 20 0 BHADRO CC(C)C1CCC([N@H+](C)Cc2ccccn2)CC1 ZINC000433026563 387851736 /nfs/dbraw/zinc/85/17/36/387851736.db2.gz GKSDQCBVBOFDSA-UHFFFAOYSA-N 1 0 246.398 3.728 20 0 BHADRO CC(C)C1CCC([N@H+](C)Cc2ccncc2)CC1 ZINC000433028711 387852996 /nfs/dbraw/zinc/85/29/96/387852996.db2.gz POUZRLRURFUJDZ-UHFFFAOYSA-N 1 0 246.398 3.728 20 0 BHADRO C[N@H+](CCSCC1CCC1)Cc1ccccc1 ZINC000433030237 387853565 /nfs/dbraw/zinc/85/35/65/387853565.db2.gz VNRABGSNSMFMNV-UHFFFAOYSA-N 1 0 249.423 3.652 20 0 BHADRO CC(C)C1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC000433030866 387853807 /nfs/dbraw/zinc/85/38/07/387853807.db2.gz XIIAWAXXOMVKFV-UHFFFAOYSA-N 1 0 246.398 3.728 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC12CCCC2)Cc1ccccc1 ZINC000433032462 192976515 /nfs/dbraw/zinc/97/65/15/192976515.db2.gz MHFDKVHNWYVUQX-GDBMZVCRSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC12CCCC2)Cc1ccccc1 ZINC000433032463 387853133 /nfs/dbraw/zinc/85/31/33/387853133.db2.gz MHFDKVHNWYVUQX-GOEBONIOSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC12CCCC2)Cc1ccccc1 ZINC000433032464 192976029 /nfs/dbraw/zinc/97/60/29/192976029.db2.gz MHFDKVHNWYVUQX-HOCLYGCPSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC12CCCC2)Cc1ccccc1 ZINC000433032465 387854035 /nfs/dbraw/zinc/85/40/35/387854035.db2.gz MHFDKVHNWYVUQX-ZBFHGGJFSA-N 1 0 243.394 3.788 20 0 BHADRO C[N@H+](CCSC1CCCC1)Cc1ccccc1 ZINC000433033864 387854372 /nfs/dbraw/zinc/85/43/72/387854372.db2.gz QRVWVQCLTVEWKY-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000433036350 387854425 /nfs/dbraw/zinc/85/44/25/387854425.db2.gz UICNTPMJMPIUAD-BSWAZPDLSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000433036351 387853066 /nfs/dbraw/zinc/85/30/66/387853066.db2.gz UICNTPMJMPIUAD-IWCQGFGOSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000433036352 387855770 /nfs/dbraw/zinc/85/57/70/387855770.db2.gz UICNTPMJMPIUAD-MXASKKJJSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000433036353 387854900 /nfs/dbraw/zinc/85/49/00/387854900.db2.gz UICNTPMJMPIUAD-SIXLDLHFSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000433039473 387854959 /nfs/dbraw/zinc/85/49/59/387854959.db2.gz LZQSBRFZMBYFCR-RWMBFGLXSA-N 1 0 247.382 3.868 20 0 BHADRO CC[C@@H](C)SCC[N@H+](C)Cc1ccccc1 ZINC000433041451 387855240 /nfs/dbraw/zinc/85/52/40/387855240.db2.gz UTTMEEJRCKIWIQ-CYBMUJFWSA-N 1 0 237.412 3.650 20 0 BHADRO CC[C@H](C)SCC[N@H+](C)Cc1ccccc1 ZINC000433041452 387855436 /nfs/dbraw/zinc/85/54/36/387855436.db2.gz UTTMEEJRCKIWIQ-ZDUSSCGKSA-N 1 0 237.412 3.650 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)c1 ZINC000433044049 397915810 /nfs/dbraw/zinc/91/58/10/397915810.db2.gz HQLJZVAZQLGWSC-DZGCQCFKSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)c1 ZINC000433044050 397915623 /nfs/dbraw/zinc/91/56/23/397915623.db2.gz HQLJZVAZQLGWSC-HIFRSBDPSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000433044051 397916091 /nfs/dbraw/zinc/91/60/91/397916091.db2.gz HQLJZVAZQLGWSC-UKRRQHHQSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@H]2CC[C@H](C)C2)c1 ZINC000433044052 397915819 /nfs/dbraw/zinc/91/58/19/397915819.db2.gz HQLJZVAZQLGWSC-ZFWWWQNUSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(O)c1 ZINC000433046212 397916972 /nfs/dbraw/zinc/91/69/72/397916972.db2.gz SZZSSWRIHOLODV-BHPKHCPMSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(O)c1 ZINC000433046213 192978258 /nfs/dbraw/zinc/97/82/58/192978258.db2.gz SZZSSWRIHOLODV-RGCMKSIDSA-N 1 0 247.382 3.868 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433048951 397917811 /nfs/dbraw/zinc/91/78/11/397917811.db2.gz ZVLDRIREXISWEV-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433048952 397917779 /nfs/dbraw/zinc/91/77/79/397917779.db2.gz ZVLDRIREXISWEV-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1cccc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000433049037 397917797 /nfs/dbraw/zinc/91/77/97/397917797.db2.gz PTONXKSFXBJYLF-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433049355 192422743 /nfs/dbraw/zinc/42/27/43/192422743.db2.gz SYPRDPSJZHUSTO-CABCVRRESA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433049356 387587585 /nfs/dbraw/zinc/58/75/85/387587585.db2.gz SYPRDPSJZHUSTO-GJZGRUSLSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433049357 192422750 /nfs/dbraw/zinc/42/27/50/192422750.db2.gz SYPRDPSJZHUSTO-HUUCEWRRSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433049358 387587419 /nfs/dbraw/zinc/58/74/19/387587419.db2.gz SYPRDPSJZHUSTO-LSDHHAIUSA-N 1 0 235.346 3.614 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](CCCCF)C2)cc1 ZINC000433049391 387857177 /nfs/dbraw/zinc/85/71/77/387857177.db2.gz UEXSFMLCVFLSGZ-INIZCTEOSA-N 1 0 249.373 3.788 20 0 BHADRO CCc1ccc([C@@H]2CC[N@H+](CCCCF)C2)cc1 ZINC000433049392 387856937 /nfs/dbraw/zinc/85/69/37/387856937.db2.gz UEXSFMLCVFLSGZ-MRXNPFEDSA-N 1 0 249.373 3.788 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+](CC3CCC3)C2)cc1 ZINC000433053753 387856479 /nfs/dbraw/zinc/85/64/79/387856479.db2.gz QQYJNZCQMNOMRL-INIZCTEOSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+](CC3CCC3)C2)cc1 ZINC000433053754 387857196 /nfs/dbraw/zinc/85/71/96/387857196.db2.gz QQYJNZCQMNOMRL-MRXNPFEDSA-N 1 0 229.367 3.666 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433055202 387858381 /nfs/dbraw/zinc/85/83/81/387858381.db2.gz DKPULERLZSXYPN-HNNXBMFYSA-N 1 0 249.423 3.619 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433055205 387858271 /nfs/dbraw/zinc/85/82/71/387858271.db2.gz DKPULERLZSXYPN-OAHLLOKOSA-N 1 0 249.423 3.619 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000433057941 387858326 /nfs/dbraw/zinc/85/83/26/387858326.db2.gz NVILJAKOXXBJTH-NXEZZACHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000433057943 387858088 /nfs/dbraw/zinc/85/80/88/387858088.db2.gz NVILJAKOXXBJTH-UWVGGRQHSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000433057945 387858187 /nfs/dbraw/zinc/85/81/87/387858187.db2.gz NVILJAKOXXBJTH-VHSXEESVSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000433057946 387857769 /nfs/dbraw/zinc/85/77/69/387857769.db2.gz NVILJAKOXXBJTH-ZJUUUORDSA-N 1 0 227.735 3.553 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+](CCC3CC3)C2)cc1 ZINC000433058389 397916567 /nfs/dbraw/zinc/91/65/67/397916567.db2.gz AVWAWKIRJMUPGH-INIZCTEOSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+](CCC3CC3)C2)cc1 ZINC000433058390 397916888 /nfs/dbraw/zinc/91/68/88/397916888.db2.gz AVWAWKIRJMUPGH-MRXNPFEDSA-N 1 0 229.367 3.666 20 0 BHADRO CCO[C@@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433060606 387859601 /nfs/dbraw/zinc/85/96/01/387859601.db2.gz ZHTXZCKTGVGRIO-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433060607 387859253 /nfs/dbraw/zinc/85/92/53/387859253.db2.gz ZHTXZCKTGVGRIO-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433066220 387860648 /nfs/dbraw/zinc/86/06/48/387860648.db2.gz GSBYDWDJAFJBRN-HNNXBMFYSA-N 1 0 235.346 3.616 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433066310 387860157 /nfs/dbraw/zinc/86/01/57/387860157.db2.gz GSBYDWDJAFJBRN-OAHLLOKOSA-N 1 0 235.346 3.616 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079106 387861137 /nfs/dbraw/zinc/86/11/37/387861137.db2.gz YCQZLDJXQPWOEF-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079107 387861370 /nfs/dbraw/zinc/86/13/70/387861370.db2.gz YCQZLDJXQPWOEF-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079108 387861336 /nfs/dbraw/zinc/86/13/36/387861336.db2.gz YCQZLDJXQPWOEF-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079109 387861652 /nfs/dbraw/zinc/86/16/52/387861652.db2.gz YCQZLDJXQPWOEF-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO CC1(C)CC([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000433082290 387863254 /nfs/dbraw/zinc/86/32/54/387863254.db2.gz KBBGGDUKXRWSIJ-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](CC[C@H](C)F)C2)cc1 ZINC000433083754 387862423 /nfs/dbraw/zinc/86/24/23/387862423.db2.gz QPZSUCGPSBTIGR-BBRMVZONSA-N 1 0 249.373 3.786 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](CC[C@@H](C)F)C2)cc1 ZINC000433083755 387863108 /nfs/dbraw/zinc/86/31/08/387863108.db2.gz QPZSUCGPSBTIGR-CJNGLKHVSA-N 1 0 249.373 3.786 20 0 BHADRO CCc1ccc([C@@H]2CC[N@H+](CC[C@@H](C)F)C2)cc1 ZINC000433083757 387862414 /nfs/dbraw/zinc/86/24/14/387862414.db2.gz QPZSUCGPSBTIGR-CZUORRHYSA-N 1 0 249.373 3.786 20 0 BHADRO CCc1ccc([C@@H]2CC[N@H+](CC[C@H](C)F)C2)cc1 ZINC000433083759 192982507 /nfs/dbraw/zinc/98/25/07/192982507.db2.gz QPZSUCGPSBTIGR-XJKSGUPXSA-N 1 0 249.373 3.786 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+]C1CC(C)(C)C1 ZINC000433090688 387864500 /nfs/dbraw/zinc/86/45/00/387864500.db2.gz LKYDMJHIXAWKTH-CQSZACIVSA-N 1 0 245.366 3.597 20 0 BHADRO CCCNc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433091440 387864117 /nfs/dbraw/zinc/86/41/17/387864117.db2.gz LMLUUYMGKWSPQV-UHFFFAOYSA-N 1 0 246.398 3.787 20 0 BHADRO CSCc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433101548 387863673 /nfs/dbraw/zinc/86/36/73/387863673.db2.gz PEIVSSAPTLPVDV-UHFFFAOYSA-N 1 0 249.423 3.828 20 0 BHADRO CC1(C)CC([NH2+]CCCc2cccc(F)c2)C1 ZINC000433117210 192984964 /nfs/dbraw/zinc/98/49/64/192984964.db2.gz NBBXZPYLKBYCLN-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]C1CC(C)(C)C1)C(C)C ZINC000433117858 387865692 /nfs/dbraw/zinc/86/56/92/387865692.db2.gz PWBCWWLGDUPREO-AWEZNQCLSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]C1CC(C)(C)C1)C(C)C ZINC000433117859 387866297 /nfs/dbraw/zinc/86/62/97/387866297.db2.gz PWBCWWLGDUPREO-CQSZACIVSA-N 1 0 246.398 3.865 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000433124207 192984509 /nfs/dbraw/zinc/98/45/09/192984509.db2.gz ALVIYNDZRVAUFT-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)Oc1ccccc1 ZINC000433127618 192985150 /nfs/dbraw/zinc/98/51/50/192985150.db2.gz TVFWGWNXHPJRMM-UHFFFAOYSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433145679 387870957 /nfs/dbraw/zinc/87/09/57/387870957.db2.gz ISPMYBQDMHIWEU-CYBMUJFWSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433145680 192986689 /nfs/dbraw/zinc/98/66/89/192986689.db2.gz ISPMYBQDMHIWEU-ZDUSSCGKSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1ccc(SCC[NH2+]C2CC(C)(C)C2)cc1 ZINC000433153016 387871346 /nfs/dbraw/zinc/87/13/46/387871346.db2.gz UQCPBGQMMBZDHF-UHFFFAOYSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(CC[NH2+]C2CC(C)(C)C2)c(C)c1 ZINC000433155846 387873107 /nfs/dbraw/zinc/87/31/07/387873107.db2.gz ZMDKOYGRRKUQGP-UHFFFAOYSA-N 1 0 231.383 3.624 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000433159272 387873923 /nfs/dbraw/zinc/87/39/23/387873923.db2.gz LPILQGSINZTPBQ-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000433159274 387873057 /nfs/dbraw/zinc/87/30/57/387873057.db2.gz LPILQGSINZTPBQ-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000433159275 387873270 /nfs/dbraw/zinc/87/32/70/387873270.db2.gz LPILQGSINZTPBQ-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000433159277 387873012 /nfs/dbraw/zinc/87/30/12/387873012.db2.gz LPILQGSINZTPBQ-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(C)(C)C1 ZINC000433164776 192987759 /nfs/dbraw/zinc/98/77/59/192987759.db2.gz SGESJNVNMOMDAL-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(C)(C)C1 ZINC000433164778 387872824 /nfs/dbraw/zinc/87/28/24/387872824.db2.gz SGESJNVNMOMDAL-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO CC1(C)CC([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000433164973 387873557 /nfs/dbraw/zinc/87/35/57/387873557.db2.gz GXXXFLTWZFEAIS-UHFFFAOYSA-N 1 0 247.357 3.636 20 0 BHADRO Cc1ccccc1OCCC[NH2+]C1CC(C)(C)C1 ZINC000433165946 387875457 /nfs/dbraw/zinc/87/54/57/387875457.db2.gz DMOUOEGUVDDHCR-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO CC1(C)CC([NH2+]Cc2nccc3ccccc32)C1 ZINC000433166328 387874701 /nfs/dbraw/zinc/87/47/01/387874701.db2.gz JYVYNSJJQWSESF-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1ccccc1C1(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000433169056 201162628 /nfs/dbraw/zinc/16/26/28/201162628.db2.gz VDGNZHBUYBMKBU-UHFFFAOYSA-N 1 0 243.394 3.805 20 0 BHADRO Cc1cccc(OC[C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000433169903 201163077 /nfs/dbraw/zinc/16/30/77/201163077.db2.gz YZZQDXNVNYMFLL-CYBMUJFWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000433169904 201162923 /nfs/dbraw/zinc/16/29/23/201162923.db2.gz YZZQDXNVNYMFLL-ZDUSSCGKSA-N 1 0 247.382 3.541 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000433170115 398163156 /nfs/dbraw/zinc/16/31/56/398163156.db2.gz UMOIGQWHZBQCPI-GFCCVEGCSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000433170117 192542766 /nfs/dbraw/zinc/54/27/66/192542766.db2.gz UMOIGQWHZBQCPI-LBPRGKRZSA-N 1 0 247.382 3.925 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000433170228 201163796 /nfs/dbraw/zinc/16/37/96/201163796.db2.gz VFODQTGZUFSVNF-AWEZNQCLSA-N 1 0 245.366 3.679 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000433170229 201163561 /nfs/dbraw/zinc/16/35/61/201163561.db2.gz VFODQTGZUFSVNF-CQSZACIVSA-N 1 0 245.366 3.679 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)c1ccccc1F ZINC000433170694 201163074 /nfs/dbraw/zinc/16/30/74/201163074.db2.gz YSINCBYBJJXENE-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000433172404 387889452 /nfs/dbraw/zinc/88/94/52/387889452.db2.gz HKEKSPIYKIJGCC-LLVKDONJSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000433172407 387888412 /nfs/dbraw/zinc/88/84/12/387888412.db2.gz HKEKSPIYKIJGCC-NSHDSACASA-N 1 0 235.346 3.707 20 0 BHADRO CC1(C)CC([NH2+]CCCSc2ccccc2)C1 ZINC000433173520 201163563 /nfs/dbraw/zinc/16/35/63/201163563.db2.gz GMZDDKUIMRGFGA-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO Cc1ccc(OCCC[NH2+]C2CC(C)(C)C2)cc1 ZINC000433174232 201163442 /nfs/dbraw/zinc/16/34/42/201163442.db2.gz IROPCHSXJJUOPH-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO CCOCc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433178092 201164594 /nfs/dbraw/zinc/16/45/94/201164594.db2.gz RMQFFSRSUGPCDX-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO CCCc1cccc(C[NH2+]CC2(SC)CC2)c1 ZINC000433181334 201166833 /nfs/dbraw/zinc/16/68/33/201166833.db2.gz LDOIYGFGODMAQP-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO CSC1(C[NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000433194325 201168904 /nfs/dbraw/zinc/16/89/04/201168904.db2.gz WBYBVIMJDTYIRZ-RAXLEYEMSA-N 1 0 247.407 3.575 20 0 BHADRO CC(C)([NH2+]CC1(C)CCC1)c1ccccc1F ZINC000433198895 201168650 /nfs/dbraw/zinc/16/86/50/201168650.db2.gz IRJDQSXKXCQZDF-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CC1(C)CC([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000433206301 201168206 /nfs/dbraw/zinc/16/82/06/201168206.db2.gz GUNXSZUBTPIXPU-UHFFFAOYSA-N 1 0 243.394 3.930 20 0 BHADRO CC(C)[N@H+](CC1CCC1)CC1(C)CCC1 ZINC000433207010 201167919 /nfs/dbraw/zinc/16/79/19/201167919.db2.gz PIMXNSICGPMSLQ-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC1(C[NH+](C2CCC2)C2CCC2)CCC1 ZINC000433207185 201169762 /nfs/dbraw/zinc/16/97/62/201169762.db2.gz QDGYFIAYOQCDCJ-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO Cc1ccc(C2(C[NH2+]CC3CC3)CCC2)cc1C ZINC000433207220 201169219 /nfs/dbraw/zinc/16/92/19/201169219.db2.gz JPQYAJPGQIQHSL-UHFFFAOYSA-N 1 0 243.394 3.725 20 0 BHADRO CC1(C)CC([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000433209593 201170410 /nfs/dbraw/zinc/17/04/10/201170410.db2.gz SCEAUHMGZCXTII-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC([NH2+]CC2(C)Cc3ccccc3C2)C1 ZINC000433219987 201171416 /nfs/dbraw/zinc/17/14/16/201171416.db2.gz OBVUMDMQNOQYEG-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000433220482 201170572 /nfs/dbraw/zinc/17/05/72/201170572.db2.gz MVNJVJZHZVOQSP-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000433221320 201170204 /nfs/dbraw/zinc/17/02/04/201170204.db2.gz PAFYCPYLVVCLPT-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000433223686 201172418 /nfs/dbraw/zinc/17/24/18/201172418.db2.gz RTOHCNWHNAUHKS-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(NC2CC(C)(C)C2)c1 ZINC000433232250 201171004 /nfs/dbraw/zinc/17/10/04/201171004.db2.gz ZSQLTJBCCFDPGT-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO CC1(C)CC([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000433244027 201171330 /nfs/dbraw/zinc/17/13/30/201171330.db2.gz XLBRSMWOQPLLKA-UHFFFAOYSA-N 1 0 229.367 3.540 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+]C2CC(C)(C)C2)c1 ZINC000433244453 201170650 /nfs/dbraw/zinc/17/06/50/201170650.db2.gz HJBMONXPJOZMQY-CYBMUJFWSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+]C2CC(C)(C)C2)c1 ZINC000433244455 201170994 /nfs/dbraw/zinc/17/09/94/201170994.db2.gz HJBMONXPJOZMQY-ZDUSSCGKSA-N 1 0 231.383 3.877 20 0 BHADRO CC1(C)CC([NH2+]CCOC2CCCCCC2)C1 ZINC000433252418 201174491 /nfs/dbraw/zinc/17/44/91/201174491.db2.gz AXDINXLEZYFZRI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000433253630 201174463 /nfs/dbraw/zinc/17/44/63/201174463.db2.gz TYKKMOPOBUOPDG-UHFFFAOYSA-N 1 0 247.357 3.636 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)c1cccc(F)c1 ZINC000433254157 201174974 /nfs/dbraw/zinc/17/49/74/201174974.db2.gz IIJJMUDEOAIKKX-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433273148 201173925 /nfs/dbraw/zinc/17/39/25/201173925.db2.gz JLSHIHHFMKDYTK-CYBMUJFWSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433273149 201174745 /nfs/dbraw/zinc/17/47/45/201174745.db2.gz JLSHIHHFMKDYTK-ZDUSSCGKSA-N 1 0 231.383 3.877 20 0 BHADRO CC1(C)CC([NH2+]CCc2cc3ccccc3o2)C1 ZINC000433281300 201172878 /nfs/dbraw/zinc/17/28/78/201172878.db2.gz BMHUWXRBAGGTCP-UHFFFAOYSA-N 1 0 243.350 3.754 20 0 BHADRO CC1(C)CC([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000433282859 201174791 /nfs/dbraw/zinc/17/47/91/201174791.db2.gz GWSRQGUQLWBBGV-INIZCTEOSA-N 1 0 243.394 3.786 20 0 BHADRO CC1(C)CC([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000433282860 201175022 /nfs/dbraw/zinc/17/50/22/201175022.db2.gz GWSRQGUQLWBBGV-MRXNPFEDSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000433283385 201173749 /nfs/dbraw/zinc/17/37/49/201173749.db2.gz OJVIMPBZPINXBL-ABAIWWIYSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000433283386 201173479 /nfs/dbraw/zinc/17/34/79/201173479.db2.gz OJVIMPBZPINXBL-IAQYHMDHSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000433283387 201173680 /nfs/dbraw/zinc/17/36/80/201173680.db2.gz OJVIMPBZPINXBL-NHYWBVRUSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000433283389 201174838 /nfs/dbraw/zinc/17/48/38/201174838.db2.gz OJVIMPBZPINXBL-XHDPSFHLSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+]C1CC(C)(C)C1 ZINC000433283914 201176782 /nfs/dbraw/zinc/17/67/82/201176782.db2.gz DDFPCRAOLZWCKX-CYBMUJFWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+]C1CC(C)(C)C1 ZINC000433283916 201177475 /nfs/dbraw/zinc/17/74/75/201177475.db2.gz DDFPCRAOLZWCKX-ZDUSSCGKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)C2)ccc1F ZINC000433285150 201177263 /nfs/dbraw/zinc/17/72/63/201177263.db2.gz GMHZSIVQWMHVMC-LLVKDONJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(C)C2)ccc1F ZINC000433285152 201175961 /nfs/dbraw/zinc/17/59/61/201175961.db2.gz GMHZSIVQWMHVMC-NSHDSACASA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433288188 201175920 /nfs/dbraw/zinc/17/59/20/201175920.db2.gz LXTQJIKYGCLGEN-CYBMUJFWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433288191 201176011 /nfs/dbraw/zinc/17/60/11/201176011.db2.gz LXTQJIKYGCLGEN-ZDUSSCGKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CC(C)(C)C1 ZINC000433289236 201175648 /nfs/dbraw/zinc/17/56/48/201175648.db2.gz PHULHZAUPJKCFW-AWEZNQCLSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CC(C)(C)C1 ZINC000433289243 201177456 /nfs/dbraw/zinc/17/74/56/201177456.db2.gz PHULHZAUPJKCFW-CQSZACIVSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+]C2CC(C)(C)C2)c1 ZINC000433289522 201176265 /nfs/dbraw/zinc/17/62/65/201176265.db2.gz UJTYLYTZCXOPOR-CYBMUJFWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+]C2CC(C)(C)C2)c1 ZINC000433289523 201176330 /nfs/dbraw/zinc/17/63/30/201176330.db2.gz UJTYLYTZCXOPOR-ZDUSSCGKSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)(C)C1)Sc1ccccc1 ZINC000433289557 201176822 /nfs/dbraw/zinc/17/68/22/201176822.db2.gz QFSVVOJMMBSCCT-GFCCVEGCSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)(C)C1)Sc1ccccc1 ZINC000433289558 201177269 /nfs/dbraw/zinc/17/72/69/201177269.db2.gz QFSVVOJMMBSCCT-LBPRGKRZSA-N 1 0 249.423 3.945 20 0 BHADRO CC(C)[C@H](C[NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000433290023 201176345 /nfs/dbraw/zinc/17/63/45/201176345.db2.gz QMRKMPMNNRSNEI-HNNXBMFYSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H](C[NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000433290024 201176297 /nfs/dbraw/zinc/17/62/97/201176297.db2.gz QMRKMPMNNRSNEI-OAHLLOKOSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433290733 201175708 /nfs/dbraw/zinc/17/57/08/201175708.db2.gz UGAHVCJYHFBENN-GFCCVEGCSA-N 1 0 223.747 3.538 20 0 BHADRO CC(C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433290741 201176477 /nfs/dbraw/zinc/17/64/77/201176477.db2.gz UGAHVCJYHFBENN-LBPRGKRZSA-N 1 0 223.747 3.538 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(C)(C)C2)o1 ZINC000433292510 201174236 /nfs/dbraw/zinc/17/42/36/201174236.db2.gz XLFCUWHGZRHREV-LLVKDONJSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CC(C)(C)C2)o1 ZINC000433292511 201173426 /nfs/dbraw/zinc/17/34/26/201173426.db2.gz XLFCUWHGZRHREV-NSHDSACASA-N 1 0 235.371 3.687 20 0 BHADRO Cc1cccc(C)c1CC[NH2+]C1CC(C)(C)C1 ZINC000433294319 201176446 /nfs/dbraw/zinc/17/64/46/201176446.db2.gz LAQQEEZPQUJNQD-UHFFFAOYSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000433296576 201177081 /nfs/dbraw/zinc/17/70/81/201177081.db2.gz ILDKPEKGUORUJL-CHWSQXEVSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000433296577 201177524 /nfs/dbraw/zinc/17/75/24/201177524.db2.gz ILDKPEKGUORUJL-OLZOCXBDSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H](C)c1ccccc1 ZINC000433296578 387441979 /nfs/dbraw/zinc/44/19/79/387441979.db2.gz ILDKPEKGUORUJL-QWHCGFSZSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000433296579 387442241 /nfs/dbraw/zinc/44/22/41/387442241.db2.gz ILDKPEKGUORUJL-STQMWFEESA-N 1 0 231.383 3.957 20 0 BHADRO CCC(CC)[C@H](CC[NH2+]C1CC(C)(C)C1)OC ZINC000433297994 201175917 /nfs/dbraw/zinc/17/59/17/201175917.db2.gz NBIGWPLOIJLCEV-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+]C1CC(C)(C)C1)OC ZINC000433297995 201175819 /nfs/dbraw/zinc/17/58/19/201175819.db2.gz NBIGWPLOIJLCEV-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CC([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC000433298262 201177350 /nfs/dbraw/zinc/17/73/50/201177350.db2.gz YQSANPKAPLDUFD-UHFFFAOYSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1c(C)noc1C ZINC000433305488 201179331 /nfs/dbraw/zinc/17/93/31/201179331.db2.gz PPFOQWBWTIFACW-GFCCVEGCSA-N 1 0 236.359 3.521 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1c(C)noc1C ZINC000433305489 201179067 /nfs/dbraw/zinc/17/90/67/201179067.db2.gz PPFOQWBWTIFACW-LBPRGKRZSA-N 1 0 236.359 3.521 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+]C1CC(C)(C)C1 ZINC000433307211 201179197 /nfs/dbraw/zinc/17/91/97/201179197.db2.gz UXEXEHNSTGOUFH-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO Clc1cccc([C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC000433309915 201178684 /nfs/dbraw/zinc/17/86/84/201178684.db2.gz FIDXPTHQWGZAGV-AWEZNQCLSA-N 1 0 249.785 3.929 20 0 BHADRO Clc1cccc([C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC000433309916 201179636 /nfs/dbraw/zinc/17/96/36/201179636.db2.gz FIDXPTHQWGZAGV-CQSZACIVSA-N 1 0 249.785 3.929 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313053 201178021 /nfs/dbraw/zinc/17/80/21/201178021.db2.gz TWAPYDPZXDQNFS-GFCCVEGCSA-N 1 0 223.747 3.539 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313055 201178086 /nfs/dbraw/zinc/17/80/86/201178086.db2.gz TWAPYDPZXDQNFS-LBPRGKRZSA-N 1 0 223.747 3.539 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433314334 201178340 /nfs/dbraw/zinc/17/83/40/201178340.db2.gz AEPYLDYJUJOCHS-AAEUAGOBSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433314337 201178349 /nfs/dbraw/zinc/17/83/49/201178349.db2.gz AEPYLDYJUJOCHS-DGCLKSJQSA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433314338 201180150 /nfs/dbraw/zinc/18/01/50/201180150.db2.gz AEPYLDYJUJOCHS-WCQYABFASA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433314340 201178654 /nfs/dbraw/zinc/17/86/54/201178654.db2.gz AEPYLDYJUJOCHS-YPMHNXCESA-N 1 0 237.774 3.928 20 0 BHADRO Clc1cccc([C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC000433321792 201182271 /nfs/dbraw/zinc/18/22/71/201182271.db2.gz WGSKXOKNHAJMKJ-AWEZNQCLSA-N 1 0 249.785 3.929 20 0 BHADRO Clc1cccc([C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC000433321793 201182019 /nfs/dbraw/zinc/18/20/19/201182019.db2.gz WGSKXOKNHAJMKJ-CQSZACIVSA-N 1 0 249.785 3.929 20 0 BHADRO COCC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000434420084 537892126 /nfs/dbraw/zinc/89/21/26/537892126.db2.gz CZSDOJLQADFAHM-AWEZNQCLSA-N 1 0 249.398 3.667 20 0 BHADRO COCC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000434420085 537892247 /nfs/dbraw/zinc/89/22/47/537892247.db2.gz CZSDOJLQADFAHM-CQSZACIVSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434491749 201223878 /nfs/dbraw/zinc/22/38/78/201223878.db2.gz DHRHMPIEGHEDKI-UHFFFAOYSA-N 1 0 235.346 3.747 20 0 BHADRO FC1(c2ccccc2)CC[NH+](CCC2CC2)CC1 ZINC000434493855 201223545 /nfs/dbraw/zinc/22/35/45/201223545.db2.gz MWLLHGRHZFJJKQ-UHFFFAOYSA-N 1 0 247.357 3.747 20 0 BHADRO CC(C)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496383 201223747 /nfs/dbraw/zinc/22/37/47/201223747.db2.gz HWWYULSNNXHIFZ-UHFFFAOYSA-N 1 0 235.346 3.603 20 0 BHADRO FC1(c2ccccc2)CC[NH+](CC2CCC2)CC1 ZINC000434506831 201223155 /nfs/dbraw/zinc/22/31/55/201223155.db2.gz WVQFSAJHNRPZSA-UHFFFAOYSA-N 1 0 247.357 3.747 20 0 BHADRO CC[NH+](CC)CCc1cccc(Cl)c1Cl ZINC000434535627 201226860 /nfs/dbraw/zinc/22/68/60/201226860.db2.gz OVBOLFGKMFNVBI-UHFFFAOYSA-N 1 0 246.181 3.878 20 0 BHADRO CCC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC000434541458 201227212 /nfs/dbraw/zinc/22/72/12/201227212.db2.gz VBHGODJXSKYNIG-UHFFFAOYSA-N 1 0 246.181 3.878 20 0 BHADRO Clc1cccc(CC[NH+]2CCCC2)c1Cl ZINC000434542956 201225142 /nfs/dbraw/zinc/22/51/42/201225142.db2.gz DGCVVHKJPQOWLQ-UHFFFAOYSA-N 1 0 244.165 3.632 20 0 BHADRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000434611240 201229631 /nfs/dbraw/zinc/22/96/31/201229631.db2.gz FDHINIIVQUDLQL-HNNXBMFYSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000434611241 201230182 /nfs/dbraw/zinc/23/01/82/201230182.db2.gz FDHINIIVQUDLQL-OAHLLOKOSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCF ZINC000434612892 201228723 /nfs/dbraw/zinc/22/87/23/201228723.db2.gz XQJMUJDTVPAZDG-AWEZNQCLSA-N 1 0 241.325 3.814 20 0 BHADRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCCF ZINC000434612893 201228025 /nfs/dbraw/zinc/22/80/25/201228025.db2.gz XQJMUJDTVPAZDG-CQSZACIVSA-N 1 0 241.325 3.814 20 0 BHADRO CCC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434613205 201228085 /nfs/dbraw/zinc/22/80/85/201228085.db2.gz BFUKKDXFMKIUMN-AWEZNQCLSA-N 1 0 223.335 3.865 20 0 BHADRO CCC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434613206 201228469 /nfs/dbraw/zinc/22/84/69/201228469.db2.gz BFUKKDXFMKIUMN-CQSZACIVSA-N 1 0 223.335 3.865 20 0 BHADRO Cc1cccc(C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000434669711 201232478 /nfs/dbraw/zinc/23/24/78/201232478.db2.gz LSNVTHKGAUYBBI-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434678094 201231801 /nfs/dbraw/zinc/23/18/01/201231801.db2.gz BZRMQTRGYNYRBI-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434694330 201234058 /nfs/dbraw/zinc/23/40/58/201234058.db2.gz KZYJSWFHDDPMEX-CYBMUJFWSA-N 1 0 249.423 3.965 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434694331 201234895 /nfs/dbraw/zinc/23/48/95/201234895.db2.gz KZYJSWFHDDPMEX-ZDUSSCGKSA-N 1 0 249.423 3.965 20 0 BHADRO CC/C=C/CC[N@@H+]1CCSC(C)(C)CC1 ZINC000434712173 201236765 /nfs/dbraw/zinc/23/67/65/201236765.db2.gz UPTHKSYMPLONPW-AATRIKPKSA-N 1 0 227.417 3.560 20 0 BHADRO CC/C=C\CC[N@@H+]1CCSC(C)(C)CC1 ZINC000434712174 201237750 /nfs/dbraw/zinc/23/77/50/201237750.db2.gz UPTHKSYMPLONPW-WAYWQWQTSA-N 1 0 227.417 3.560 20 0 BHADRO CC1(C[NH2+]CC2(Cc3ccccc3)CC2)CCC1 ZINC000434752502 541390233 /nfs/dbraw/zinc/39/02/33/541390233.db2.gz BWCKZTZRPVQABI-UHFFFAOYSA-N 1 0 243.394 3.789 20 0 BHADRO CC1(C[NH2+]CCc2cc3ccccc3o2)CCC1 ZINC000434755797 541390445 /nfs/dbraw/zinc/39/04/45/541390445.db2.gz LVFXJFPBQRJSJD-UHFFFAOYSA-N 1 0 243.350 3.755 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000434756764 201239589 /nfs/dbraw/zinc/23/95/89/201239589.db2.gz NSSONGRNMFTSHU-BBRMVZONSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000434756770 191225771 /nfs/dbraw/zinc/22/57/71/191225771.db2.gz NSSONGRNMFTSHU-CJNGLKHVSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000434756772 191225653 /nfs/dbraw/zinc/22/56/53/191225653.db2.gz NSSONGRNMFTSHU-CZUORRHYSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000434756773 191225871 /nfs/dbraw/zinc/22/58/71/191225871.db2.gz NSSONGRNMFTSHU-XJKSGUPXSA-N 1 0 246.398 3.787 20 0 BHADRO CC1(C[NH2+]CCCc2cccc(F)c2)CCC1 ZINC000434758020 541390300 /nfs/dbraw/zinc/39/03/00/541390300.db2.gz RGCCXWUNHSZJRX-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO CC1(C[NH2+]CCCCOc2ccccc2)CCC1 ZINC000434758302 201238409 /nfs/dbraw/zinc/23/84/09/201238409.db2.gz KIEDMYSDPIGUPD-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO CC1(C[NH2+]CCCSc2ccccc2)CCC1 ZINC000434758344 541390332 /nfs/dbraw/zinc/39/03/32/541390332.db2.gz KPDZAUIVFQYMPY-UHFFFAOYSA-N 1 0 249.423 3.949 20 0 BHADRO CC1(C[NH2+]CC2(c3cccc(F)c3)CC2)CCC1 ZINC000434758427 541390281 /nfs/dbraw/zinc/39/02/81/541390281.db2.gz SRHVKABOYKNBDO-UHFFFAOYSA-N 1 0 247.357 3.637 20 0 BHADRO CC1(C[NH2+]CCCOC2CCCCC2)CCC1 ZINC000434762760 537898746 /nfs/dbraw/zinc/89/87/46/537898746.db2.gz CULOJWNSJVBIOH-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+]CC1(C)CCC1 ZINC000434765641 537899236 /nfs/dbraw/zinc/89/92/36/537899236.db2.gz NHFYMJUEDWPRFE-CQSZACIVSA-N 1 0 245.366 3.598 20 0 BHADRO CSCc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000434766379 201239412 /nfs/dbraw/zinc/23/94/12/201239412.db2.gz SXLICTFPRDLDRV-UHFFFAOYSA-N 1 0 249.423 3.829 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000434766393 201239388 /nfs/dbraw/zinc/23/93/88/201239388.db2.gz FOBXBVQPMVCYPS-GRYCIOLGSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000434766397 201238682 /nfs/dbraw/zinc/23/86/82/201238682.db2.gz FOBXBVQPMVCYPS-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000434766400 201238054 /nfs/dbraw/zinc/23/80/54/201238054.db2.gz FOBXBVQPMVCYPS-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000434766402 201239594 /nfs/dbraw/zinc/23/95/94/201239594.db2.gz FOBXBVQPMVCYPS-WOPDTQHZSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C[NH2+]CC2(c3ccc(F)cc3)CC2)CCC1 ZINC000434767299 537897994 /nfs/dbraw/zinc/89/79/94/537897994.db2.gz VPAIDTRPHZLAEE-UHFFFAOYSA-N 1 0 247.357 3.637 20 0 BHADRO Cc1ccc(OCCC[NH2+]CC2(C)CCC2)cc1 ZINC000434768307 537899566 /nfs/dbraw/zinc/89/95/66/537899566.db2.gz RXXQDLNXWSGBQC-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)Sc1ccccc1 ZINC000434768580 537899264 /nfs/dbraw/zinc/89/92/64/537899264.db2.gz VNAPTFNQZCMXOX-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)Sc1ccccc1 ZINC000434768583 537898183 /nfs/dbraw/zinc/89/81/83/537898183.db2.gz VNAPTFNQZCMXOX-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+]CC2(C)CCC2)cc1 ZINC000434768597 537898074 /nfs/dbraw/zinc/89/80/74/537898074.db2.gz VRAIOBHUPBRKPE-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+]CC2(C)CCC2)cc1 ZINC000434768598 537898542 /nfs/dbraw/zinc/89/85/42/537898542.db2.gz VRAIOBHUPBRKPE-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+]CC1(C)CCC1 ZINC000434769270 537898917 /nfs/dbraw/zinc/89/89/17/537898917.db2.gz YHQHKFLGQJSRMR-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+]CC1(C)CCC1 ZINC000434769271 537899535 /nfs/dbraw/zinc/89/95/35/537899535.db2.gz YHQHKFLGQJSRMR-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+]CC2(C)CCC2)c1 ZINC000434769834 537898467 /nfs/dbraw/zinc/89/84/67/537898467.db2.gz XIRMBCUXNYSVAC-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+]CC2(C)CCC2)c1 ZINC000434769835 537897966 /nfs/dbraw/zinc/89/79/66/537897966.db2.gz XIRMBCUXNYSVAC-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000434772620 201238781 /nfs/dbraw/zinc/23/87/81/201238781.db2.gz DFGMKADXBSSFOS-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(NCC2(C)CCC2)c1 ZINC000434772849 537898529 /nfs/dbraw/zinc/89/85/29/537898529.db2.gz CBSCRCUFQXLNNF-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO CCC(CC)[C@H](CC[NH2+]CC1(C)CCC1)OC ZINC000434773526 537901150 /nfs/dbraw/zinc/90/11/50/537901150.db2.gz GMRYLWKJSRHKBT-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+]CC1(C)CCC1)OC ZINC000434773528 537900652 /nfs/dbraw/zinc/90/06/52/537900652.db2.gz GMRYLWKJSRHKBT-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000434774835 201238712 /nfs/dbraw/zinc/23/87/12/201238712.db2.gz IHJZVAMCDQQGIG-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO CCc1ccc(C[NH2+]C2CCC3(CC3)CC2)o1 ZINC000434775556 201238891 /nfs/dbraw/zinc/23/88/91/201238891.db2.gz KMKMIMOLHJVLLM-UHFFFAOYSA-N 1 0 233.355 3.654 20 0 BHADRO CC1(C[NH2+]CCOC2CCCCCC2)CCC1 ZINC000434776557 537901502 /nfs/dbraw/zinc/90/15/02/537901502.db2.gz NPFFOVLRXZCMLW-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000434776992 201238058 /nfs/dbraw/zinc/23/80/58/201238058.db2.gz PALOPEMWGPGGOB-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCC1)Oc1ccccc1 ZINC000434777091 537901099 /nfs/dbraw/zinc/90/10/99/537901099.db2.gz QWCUDOIJOACWPR-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000434780171 201241446 /nfs/dbraw/zinc/24/14/46/201241446.db2.gz YJHMXVPUYAQJTH-CMPLNLGQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000434780172 201240504 /nfs/dbraw/zinc/24/05/04/201240504.db2.gz YJHMXVPUYAQJTH-JQWIXIFHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000434780173 201240645 /nfs/dbraw/zinc/24/06/45/201240645.db2.gz YJHMXVPUYAQJTH-PWSUYJOCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000434780174 201240877 /nfs/dbraw/zinc/24/08/77/201240877.db2.gz YJHMXVPUYAQJTH-ZYHUDNBSSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccccc1OCCC[NH2+]CC1(C)CCC1 ZINC000434780440 537900283 /nfs/dbraw/zinc/90/02/83/537900283.db2.gz ZSPABNDHHJYDEY-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000434780876 201241674 /nfs/dbraw/zinc/24/16/74/201241674.db2.gz BLTUEHYRQAMKIN-BBRMVZONSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000434780877 201240340 /nfs/dbraw/zinc/24/03/40/201240340.db2.gz BLTUEHYRQAMKIN-CJNGLKHVSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000434780878 201241555 /nfs/dbraw/zinc/24/15/55/201241555.db2.gz BLTUEHYRQAMKIN-CZUORRHYSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000434780879 201242300 /nfs/dbraw/zinc/24/23/00/201242300.db2.gz BLTUEHYRQAMKIN-XJKSGUPXSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000434782287 541391177 /nfs/dbraw/zinc/39/11/77/541391177.db2.gz IBZPVPJZSINJIG-UHFFFAOYSA-N 1 0 246.398 3.788 20 0 BHADRO CCOCc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000434786680 541391044 /nfs/dbraw/zinc/39/10/44/541391044.db2.gz SVGKBWWJUGSPJW-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CCCNc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000434787961 201242096 /nfs/dbraw/zinc/24/20/96/201242096.db2.gz SIIBXZIYPXLVJP-UHFFFAOYSA-N 1 0 246.398 3.931 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1(C)CCC1)c1cccnc1 ZINC000434788702 541391505 /nfs/dbraw/zinc/39/15/05/541391505.db2.gz ZFLHELAKHYPFSH-HNNXBMFYSA-N 1 0 246.398 3.601 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1(C)CCC1)c1cccnc1 ZINC000434788703 541391582 /nfs/dbraw/zinc/39/15/82/541391582.db2.gz ZFLHELAKHYPFSH-OAHLLOKOSA-N 1 0 246.398 3.601 20 0 BHADRO CCCNc1ccc(C[NH2+]C[C@H](C)CC)cc1 ZINC000434789470 201241024 /nfs/dbraw/zinc/24/10/24/201241024.db2.gz XYMBPVUNHDKXEF-CYBMUJFWSA-N 1 0 234.387 3.644 20 0 BHADRO CCCNc1ccc(C[NH2+]C[C@@H](C)CC)cc1 ZINC000434789473 201242207 /nfs/dbraw/zinc/24/22/07/201242207.db2.gz XYMBPVUNHDKXEF-ZDUSSCGKSA-N 1 0 234.387 3.644 20 0 BHADRO CC[NH+](CC)CCSC/C=C/c1ccccc1 ZINC000434803574 201243655 /nfs/dbraw/zinc/24/36/55/201243655.db2.gz AYMKUVLUDGZTSV-DHZHZOJOSA-N 1 0 249.423 3.775 20 0 BHADRO CC[NH+](CC)CCSC/C=C\c1ccccc1 ZINC000434803575 201243089 /nfs/dbraw/zinc/24/30/89/201243089.db2.gz AYMKUVLUDGZTSV-FLIBITNWSA-N 1 0 249.423 3.775 20 0 BHADRO CC(C)COc1ccccc1C[NH2+]CC1CCC1 ZINC000434851137 201242467 /nfs/dbraw/zinc/24/24/67/201242467.db2.gz PCAJREYCEFYHNC-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434894161 201245054 /nfs/dbraw/zinc/24/50/54/201245054.db2.gz FMQSAUSBPUBHHB-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434894162 201246072 /nfs/dbraw/zinc/24/60/72/201246072.db2.gz FMQSAUSBPUBHHB-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434894163 201245113 /nfs/dbraw/zinc/24/51/13/201245113.db2.gz FMQSAUSBPUBHHB-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434894164 201246163 /nfs/dbraw/zinc/24/61/63/201246163.db2.gz FMQSAUSBPUBHHB-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1CCC1 ZINC000434898998 201245026 /nfs/dbraw/zinc/24/50/26/201245026.db2.gz YQJKHVCRJFMGPM-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1CCC1 ZINC000434898999 201245997 /nfs/dbraw/zinc/24/59/97/201245997.db2.gz YQJKHVCRJFMGPM-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1CCC1 ZINC000434899000 201244855 /nfs/dbraw/zinc/24/48/55/201244855.db2.gz YQJKHVCRJFMGPM-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1CCC1 ZINC000434899001 201245574 /nfs/dbraw/zinc/24/55/74/201245574.db2.gz YQJKHVCRJFMGPM-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899126 201245126 /nfs/dbraw/zinc/24/51/26/201245126.db2.gz ZVOGQNPRGFYBJI-UHFFFAOYSA-N 1 0 235.758 3.839 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000434899986 201244821 /nfs/dbraw/zinc/24/48/21/201244821.db2.gz LDKCKNRASCZZNS-DJIMGWMZSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000434899987 201244976 /nfs/dbraw/zinc/24/49/76/201244976.db2.gz LDKCKNRASCZZNS-HYVNUMGLSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000434899989 191263671 /nfs/dbraw/zinc/26/36/71/191263671.db2.gz LDKCKNRASCZZNS-OIISXLGYSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000434899992 191263450 /nfs/dbraw/zinc/26/34/50/191263450.db2.gz LDKCKNRASCZZNS-PVAVHDDUSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@H](C[N@@H+]1CCSC(C)(C)C1)c1ccccc1 ZINC000434904493 201245890 /nfs/dbraw/zinc/24/58/90/201245890.db2.gz FORCQABTLZEADR-CYBMUJFWSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](C[N@@H+]1CCSC(C)(C)C1)c1ccccc1 ZINC000434904494 201245265 /nfs/dbraw/zinc/24/52/65/201245265.db2.gz FORCQABTLZEADR-ZDUSSCGKSA-N 1 0 249.423 3.618 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCSC(C)(C)C2)c1 ZINC000434907459 201244922 /nfs/dbraw/zinc/24/49/22/201244922.db2.gz RYEZHJGCNYHCRK-CYBMUJFWSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCSC(C)(C)C2)c1 ZINC000434907560 201244758 /nfs/dbraw/zinc/24/47/58/201244758.db2.gz RYEZHJGCNYHCRK-ZDUSSCGKSA-N 1 0 249.423 3.883 20 0 BHADRO CCC[N@H+](CC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000434980762 201247849 /nfs/dbraw/zinc/24/78/49/201247849.db2.gz BEVGZPSAHUELAF-AAEUAGOBSA-N 1 0 221.344 3.635 20 0 BHADRO CCC[N@H+](CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000434980763 201248870 /nfs/dbraw/zinc/24/88/70/201248870.db2.gz BEVGZPSAHUELAF-DGCLKSJQSA-N 1 0 221.344 3.635 20 0 BHADRO CCC[N@H+](CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000434980764 201248878 /nfs/dbraw/zinc/24/88/78/201248878.db2.gz BEVGZPSAHUELAF-WCQYABFASA-N 1 0 221.344 3.635 20 0 BHADRO CCC[N@H+](CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000434980765 201247569 /nfs/dbraw/zinc/24/75/69/201247569.db2.gz BEVGZPSAHUELAF-YPMHNXCESA-N 1 0 221.344 3.635 20 0 BHADRO CCC[N@H+](CC)Cc1cnc(C2CCC2)s1 ZINC000434980774 201247073 /nfs/dbraw/zinc/24/70/73/201247073.db2.gz BIISANNBCFWRED-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1OCC1CC1 ZINC000434981195 201247865 /nfs/dbraw/zinc/24/78/65/201247865.db2.gz DTODYDPKJWZZMQ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000434981643 201247005 /nfs/dbraw/zinc/24/70/05/201247005.db2.gz LBRPLNZDGFVWAW-AWEZNQCLSA-N 1 0 227.307 3.535 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000434981644 201247152 /nfs/dbraw/zinc/24/71/52/201247152.db2.gz LBRPLNZDGFVWAW-CQSZACIVSA-N 1 0 227.307 3.535 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000434982492 201248314 /nfs/dbraw/zinc/24/83/14/201248314.db2.gz PKHSOONNMDIVGH-INIZCTEOSA-N 1 0 241.334 3.789 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000434982493 201248274 /nfs/dbraw/zinc/24/82/74/201248274.db2.gz PKHSOONNMDIVGH-MRXNPFEDSA-N 1 0 241.334 3.789 20 0 BHADRO CCC[N@H+](CC)Cc1cnc(C(C)(C)C)s1 ZINC000434982584 201247047 /nfs/dbraw/zinc/24/70/47/201247047.db2.gz MBDDHYLLPWLRSV-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(C)c1C ZINC000434983041 201248764 /nfs/dbraw/zinc/24/87/64/201248764.db2.gz PAAIYPLAYATDHS-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(Cl)c(F)c1 ZINC000434983410 201248063 /nfs/dbraw/zinc/24/80/63/201248063.db2.gz QXYICZYYUKFVGB-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000434985487 201246769 /nfs/dbraw/zinc/24/67/69/201246769.db2.gz IZTHPTZFEOPXPS-HNNXBMFYSA-N 1 0 227.307 3.535 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000434985488 201247782 /nfs/dbraw/zinc/24/77/82/201247782.db2.gz IZTHPTZFEOPXPS-OAHLLOKOSA-N 1 0 227.307 3.535 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)c(OC)c(C)c1 ZINC000434985569 201248834 /nfs/dbraw/zinc/24/88/34/201248834.db2.gz BSSZRBVMKDOCPP-UHFFFAOYSA-N 1 0 235.371 3.544 20 0 BHADRO c1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000434986351 201245527 /nfs/dbraw/zinc/24/55/27/201245527.db2.gz OEPKCQAVUIOXGI-AWEZNQCLSA-N 1 0 229.348 3.695 20 0 BHADRO c1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cs1 ZINC000434986354 201246311 /nfs/dbraw/zinc/24/63/11/201246311.db2.gz OEPKCQAVUIOXGI-CQSZACIVSA-N 1 0 229.348 3.695 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000434988807 201248362 /nfs/dbraw/zinc/24/83/62/201248362.db2.gz WQJCWNTVOLHHKQ-AWEZNQCLSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000434988808 201247800 /nfs/dbraw/zinc/24/78/00/201247800.db2.gz WQJCWNTVOLHHKQ-CQSZACIVSA-N 1 0 245.366 3.548 20 0 BHADRO CCC[N@H+](CC)C/C(C)=C\c1ccccc1 ZINC000434993386 201248455 /nfs/dbraw/zinc/24/84/55/201248455.db2.gz YLVKLYNPBXXIEU-OWBHPGMISA-N 1 0 217.356 3.822 20 0 BHADRO CCC[N@H+](CC)C/C(C)=C/c1ccccc1 ZINC000434993387 201248335 /nfs/dbraw/zinc/24/83/35/201248335.db2.gz YLVKLYNPBXXIEU-WYMLVPIESA-N 1 0 217.356 3.822 20 0 BHADRO CCC[N@H+](CC)Cc1cc2cc(F)ccc2o1 ZINC000434993388 201248665 /nfs/dbraw/zinc/24/86/65/201248665.db2.gz YMHVNEIBBQRVEJ-UHFFFAOYSA-N 1 0 235.302 3.804 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000435043793 201249933 /nfs/dbraw/zinc/24/99/33/201249933.db2.gz QZXYZDMEBDKMRL-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000435043794 201250218 /nfs/dbraw/zinc/25/02/18/201250218.db2.gz QZXYZDMEBDKMRL-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000435043795 201247122 /nfs/dbraw/zinc/24/71/22/201247122.db2.gz QZXYZDMEBDKMRL-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000435043796 201246975 /nfs/dbraw/zinc/24/69/75/201246975.db2.gz QZXYZDMEBDKMRL-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000435044642 201251201 /nfs/dbraw/zinc/25/12/01/201251201.db2.gz GYJSIOPLUNMTPF-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO C[C@H]1C[C@H]1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000435046453 201250561 /nfs/dbraw/zinc/25/05/61/201250561.db2.gz RWEPUXJNXMSJMI-KBPBESRZSA-N 1 0 247.357 3.603 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000435046454 201250948 /nfs/dbraw/zinc/25/09/48/201250948.db2.gz RWEPUXJNXMSJMI-KGLIPLIRSA-N 1 0 247.357 3.603 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000435046455 201249533 /nfs/dbraw/zinc/24/95/33/201249533.db2.gz RWEPUXJNXMSJMI-UONOGXRCSA-N 1 0 247.357 3.603 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000435046456 201249332 /nfs/dbraw/zinc/24/93/32/201249332.db2.gz RWEPUXJNXMSJMI-ZIAGYGMSSA-N 1 0 247.357 3.603 20 0 BHADRO CC1(C)CC[N@H+](C[C@@H]2CC=CCC2)CCS1 ZINC000435050017 201249383 /nfs/dbraw/zinc/24/93/83/201249383.db2.gz PWJJBZLCSUMWBF-CYBMUJFWSA-N 1 0 239.428 3.560 20 0 BHADRO CC1(C)CC[N@H+](C[C@H]2CC=CCC2)CCS1 ZINC000435050018 201250437 /nfs/dbraw/zinc/25/04/37/201250437.db2.gz PWJJBZLCSUMWBF-ZDUSSCGKSA-N 1 0 239.428 3.560 20 0 BHADRO Cc1ccoc1C[N@H+](Cc1ccccc1)C(C)C ZINC000435231019 201256758 /nfs/dbraw/zinc/25/67/58/201256758.db2.gz SPDFSSRSMWMYPV-UHFFFAOYSA-N 1 0 243.350 3.999 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000435233346 201256722 /nfs/dbraw/zinc/25/67/22/201256722.db2.gz UHWLBYYOAVUVOU-UHFFFAOYSA-N 1 0 235.714 3.565 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCc2ccccc2C1 ZINC000435235943 201257479 /nfs/dbraw/zinc/25/74/79/201257479.db2.gz PGVLMPCOTJMSON-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CCC[N@@H+](Cc1sccc1C)CC1CC1 ZINC000435236009 201256566 /nfs/dbraw/zinc/25/65/66/201256566.db2.gz QCHCWXMJDOPYTR-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCC[N@@H+](Cc1ccc(C)s1)CC1CC1 ZINC000435236191 201256946 /nfs/dbraw/zinc/25/69/46/201256946.db2.gz QSNDIHASBRAXSE-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CCC[N@@H+](Cc1cccc2cc[nH]c21)CC1CC1 ZINC000435236565 201258337 /nfs/dbraw/zinc/25/83/37/201258337.db2.gz JOHRPWPABMAVJM-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CCC[N@@H+](Cc1ccc(Cl)o1)CC1CC1 ZINC000435236699 201258329 /nfs/dbraw/zinc/25/83/29/201258329.db2.gz UKBNGDYAWTUVKJ-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)c(C)c1)CC1CC1 ZINC000435236843 201258358 /nfs/dbraw/zinc/25/83/58/201258358.db2.gz UUFOCPLHDHNJRU-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO Cc1ccc(F)c(C[N@H+](C)Cc2ccccc2)c1 ZINC000435242809 201256591 /nfs/dbraw/zinc/25/65/91/201256591.db2.gz OCOOPHFVRFTFSF-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccccc2)ccc1F ZINC000435243632 201257987 /nfs/dbraw/zinc/25/79/87/201257987.db2.gz WUBATWQWFGNTDB-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1cc(N2CCC=C(C)C2)c2ccccc2[nH+]1 ZINC000435586509 201278119 /nfs/dbraw/zinc/27/81/19/201278119.db2.gz ZERUMQVFYOAZHR-UHFFFAOYSA-N 1 0 238.334 3.700 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC=C(C)C3)c2c1 ZINC000435590710 201277424 /nfs/dbraw/zinc/27/74/24/201277424.db2.gz YFISLIMTLVIFHX-UHFFFAOYSA-N 1 0 238.334 3.700 20 0 BHADRO CC1=CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000435591141 201277001 /nfs/dbraw/zinc/27/70/01/201277001.db2.gz ARGXWIYEERWCLJ-UHFFFAOYSA-N 1 0 242.297 3.530 20 0 BHADRO CSc1ccc(CC[NH2+]CC2(C)CCC2)cc1 ZINC000435728582 537909467 /nfs/dbraw/zinc/90/94/67/537909467.db2.gz OAMCYSWOINKADY-UHFFFAOYSA-N 1 0 249.423 3.731 20 0 BHADRO CSc1ccc(CC[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000435730631 201284315 /nfs/dbraw/zinc/28/43/15/201284315.db2.gz GKNRJJNQXBRVKW-DOMZBBRYSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000435730632 201283488 /nfs/dbraw/zinc/28/34/88/201283488.db2.gz GKNRJJNQXBRVKW-IUODEOHRSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000435730633 201284436 /nfs/dbraw/zinc/28/44/36/201284436.db2.gz GKNRJJNQXBRVKW-SWLSCSKDSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000435730634 201283937 /nfs/dbraw/zinc/28/39/37/201283937.db2.gz GKNRJJNQXBRVKW-WFASDCNBSA-N 1 0 249.423 3.729 20 0 BHADRO Fc1cccc([C@H]2C[C@H]([NH2+]C3CCCCC3)C2)c1 ZINC000435732717 201285538 /nfs/dbraw/zinc/28/55/38/201285538.db2.gz RGZXAWWTVKNMSD-SAZUREKKSA-N 1 0 247.357 3.994 20 0 BHADRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC000435738438 201286313 /nfs/dbraw/zinc/28/63/13/201286313.db2.gz ARYCENYPLXWQJX-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435739597 201285708 /nfs/dbraw/zinc/28/57/08/201285708.db2.gz XUPDWCZXNGHDLM-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435739598 201286336 /nfs/dbraw/zinc/28/63/36/201286336.db2.gz XUPDWCZXNGHDLM-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435739599 201285252 /nfs/dbraw/zinc/28/52/52/201285252.db2.gz XUPDWCZXNGHDLM-XABYNWHXSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435739600 191327269 /nfs/dbraw/zinc/32/72/69/191327269.db2.gz XUPDWCZXNGHDLM-YUDUHTQSSA-N 1 0 247.357 3.850 20 0 BHADRO CSc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000435741512 201285861 /nfs/dbraw/zinc/28/58/61/201285861.db2.gz PIRGCEJAZRGXQK-UHFFFAOYSA-N 1 0 249.423 3.873 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435741949 201285621 /nfs/dbraw/zinc/28/56/21/201285621.db2.gz RWGQLPNAYXWYQE-UXIGCNINSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435741950 201286402 /nfs/dbraw/zinc/28/64/02/201286402.db2.gz RWGQLPNAYXWYQE-WHOFXGATSA-N 1 0 235.346 3.707 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CCC1 ZINC000435743656 537909608 /nfs/dbraw/zinc/90/96/08/537909608.db2.gz TYNOEGANWOQJCY-CTYIDZIISA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435747549 201286844 /nfs/dbraw/zinc/28/68/44/201286844.db2.gz JFOWRKZBBYTICJ-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435747550 201285545 /nfs/dbraw/zinc/28/55/45/201285545.db2.gz JFOWRKZBBYTICJ-DLKVLKDVSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435747551 201285002 /nfs/dbraw/zinc/28/50/02/201285002.db2.gz JFOWRKZBBYTICJ-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435747552 191327247 /nfs/dbraw/zinc/32/72/47/191327247.db2.gz JFOWRKZBBYTICJ-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000435749595 201286147 /nfs/dbraw/zinc/28/61/47/201286147.db2.gz UXJJDMYRYRRSRH-GXTWGEPZSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000435749596 201285433 /nfs/dbraw/zinc/28/54/33/201285433.db2.gz UXJJDMYRYRRSRH-JSGCOSHPSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000435749597 201286775 /nfs/dbraw/zinc/28/67/75/201286775.db2.gz UXJJDMYRYRRSRH-OCCSQVGLSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000435749598 201285561 /nfs/dbraw/zinc/28/55/61/201285561.db2.gz UXJJDMYRYRRSRH-TZMCWYRMSA-N 1 0 249.423 3.729 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435752289 201286467 /nfs/dbraw/zinc/28/64/67/201286467.db2.gz XHYRSDNJLPLJCN-MQMHXKEQSA-N 1 0 235.346 3.707 20 0 BHADRO COc1c(C)cc(C[N@H+](C)CC2CCC2)cc1C ZINC000435767386 201287339 /nfs/dbraw/zinc/28/73/39/201287339.db2.gz HGKWCEFYMZPSRX-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO C[N@@H+](Cc1cc2cc(F)ccc2o1)CC1CCC1 ZINC000435769589 201288793 /nfs/dbraw/zinc/28/87/93/201288793.db2.gz APIFXAJPBARBRQ-UHFFFAOYSA-N 1 0 247.313 3.804 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCC2)c(C)c1 ZINC000435770718 201287110 /nfs/dbraw/zinc/28/71/10/201287110.db2.gz QIRJIQWDUGNUDO-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC2CCC2)o1 ZINC000435771222 201287485 /nfs/dbraw/zinc/28/74/85/201287485.db2.gz UJZWXMYPDDACIO-BXUZGUMPSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CC2CCC2)o1 ZINC000435771223 201288728 /nfs/dbraw/zinc/28/87/28/201288728.db2.gz UJZWXMYPDDACIO-FZMZJTMJSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC2CCC2)o1 ZINC000435771224 201287876 /nfs/dbraw/zinc/28/78/76/201287876.db2.gz UJZWXMYPDDACIO-RISCZKNCSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CC2CCC2)o1 ZINC000435771225 201288617 /nfs/dbraw/zinc/28/86/17/201288617.db2.gz UJZWXMYPDDACIO-SMDDNHRTSA-N 1 0 233.355 3.635 20 0 BHADRO CCCOc1cccc(C[N@H+](C)CC2CCC2)c1 ZINC000435771494 201288695 /nfs/dbraw/zinc/28/86/95/201288695.db2.gz VWWYGIKOVMIJIW-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435776424 201288663 /nfs/dbraw/zinc/28/86/63/201288663.db2.gz DMYKWBLOWNEKMP-BPUTZDHNSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435776426 201288764 /nfs/dbraw/zinc/28/87/64/201288764.db2.gz DMYKWBLOWNEKMP-FVQBIDKESA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1CC)c1ccc(F)cc1F ZINC000435778063 201287143 /nfs/dbraw/zinc/28/71/43/201287143.db2.gz KTUNHOBPUWBMHR-BIGNPOOSSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC)c1ccc(F)cc1F ZINC000435778064 201288956 /nfs/dbraw/zinc/28/89/56/201288956.db2.gz KTUNHOBPUWBMHR-OWYVNGRQSA-N 1 0 239.309 3.804 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CCC1 ZINC000435779035 537909662 /nfs/dbraw/zinc/90/96/62/537909662.db2.gz PCHLYAMYAMCNJG-SHTZXODSSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000435779671 201287512 /nfs/dbraw/zinc/28/75/12/201287512.db2.gz RRSIRCXQMLWMMM-DJIMGWMZSA-N 1 0 241.378 3.879 20 0 BHADRO c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000435779672 201288295 /nfs/dbraw/zinc/28/82/95/201288295.db2.gz RRSIRCXQMLWMMM-XIRDDKMYSA-N 1 0 241.378 3.879 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435780422 201287227 /nfs/dbraw/zinc/28/72/27/201287227.db2.gz CYTQIBZGOQZZCV-AVGNSLFASA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435780423 201287336 /nfs/dbraw/zinc/28/73/36/201287336.db2.gz CYTQIBZGOQZZCV-JHJVBQTASA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435780797 201288425 /nfs/dbraw/zinc/28/84/25/201288425.db2.gz GEVKKTZEUZBGOI-HAQNSBGRSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435782779 201288378 /nfs/dbraw/zinc/28/83/78/201288378.db2.gz QWYZORBHGCNSRP-AAVRWANBSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435782780 201287581 /nfs/dbraw/zinc/28/75/81/201287581.db2.gz QWYZORBHGCNSRP-FQUUOJAGSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435782781 201288518 /nfs/dbraw/zinc/28/85/18/201288518.db2.gz QWYZORBHGCNSRP-XUXIUFHCSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435782782 201288790 /nfs/dbraw/zinc/28/87/90/201288790.db2.gz QWYZORBHGCNSRP-YIYPIFLZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435783422 201287463 /nfs/dbraw/zinc/28/74/63/201287463.db2.gz VIICCMFTQDHPNO-BRXULGCHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435783423 201288670 /nfs/dbraw/zinc/28/86/70/201288670.db2.gz VIICCMFTQDHPNO-JXFSHQFZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435783424 201287585 /nfs/dbraw/zinc/28/75/85/201287585.db2.gz VIICCMFTQDHPNO-QCQGSNGOSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435783425 201288186 /nfs/dbraw/zinc/28/81/86/201288186.db2.gz VIICCMFTQDHPNO-WFGGJUAMSA-N 1 0 247.357 3.850 20 0 BHADRO c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000435784185 201288470 /nfs/dbraw/zinc/28/84/70/201288470.db2.gz BABJOXQRDYEFBZ-QAQDUYKDSA-N 1 0 237.346 3.722 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435784582 201288550 /nfs/dbraw/zinc/28/85/50/201288550.db2.gz GDYSYLNVHUQKJS-DMRZNYOFSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435784583 201288553 /nfs/dbraw/zinc/28/85/53/201288553.db2.gz GDYSYLNVHUQKJS-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435784584 201287360 /nfs/dbraw/zinc/28/73/60/201287360.db2.gz GDYSYLNVHUQKJS-HNKHHVNMSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435784585 201288607 /nfs/dbraw/zinc/28/86/07/201288607.db2.gz GDYSYLNVHUQKJS-TUUVXOQKSA-N 1 0 229.367 3.711 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000435785120 201285392 /nfs/dbraw/zinc/28/53/92/201285392.db2.gz AIPPTFWJAFEDIE-KOMQPUFPSA-N 1 0 229.367 3.855 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)CCC1 ZINC000435785366 537910113 /nfs/dbraw/zinc/91/01/13/537910113.db2.gz BVSZWWXUJOBDEB-JOCQHMNTSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785584 201288622 /nfs/dbraw/zinc/28/86/22/201288622.db2.gz CYWBYMQWQQUNMR-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785585 201287151 /nfs/dbraw/zinc/28/71/51/201287151.db2.gz CYWBYMQWQQUNMR-MIGQKNRLSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785586 201288113 /nfs/dbraw/zinc/28/81/13/201288113.db2.gz CYWBYMQWQQUNMR-QCEMKRCNSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785587 201288703 /nfs/dbraw/zinc/28/87/03/201288703.db2.gz CYWBYMQWQQUNMR-TUUVXOQKSA-N 1 0 229.367 3.711 20 0 BHADRO Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CCCCC2)C1 ZINC000435785991 201288770 /nfs/dbraw/zinc/28/87/70/201288770.db2.gz FRHQSDDEQDWDQQ-MQMHXKEQSA-N 1 0 247.357 3.994 20 0 BHADRO CCC(CC)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435787448 201288110 /nfs/dbraw/zinc/28/81/10/201288110.db2.gz NHZBGLWGNRXTDD-WKILWMFISA-N 1 0 231.383 3.958 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)o1 ZINC000435788558 201288754 /nfs/dbraw/zinc/28/87/54/201288754.db2.gz UFMPGYCPDLWHAP-SHTZXODSSA-N 1 0 241.334 3.624 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CC1(C)C ZINC000435790485 201288415 /nfs/dbraw/zinc/28/84/15/201288415.db2.gz MHSJHSXDNKGTMO-DTZQCDIJSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CC1(C)C ZINC000435790486 201288541 /nfs/dbraw/zinc/28/85/41/201288541.db2.gz MHSJHSXDNKGTMO-MIGQKNRLSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CC1(C)C ZINC000435790487 201288311 /nfs/dbraw/zinc/28/83/11/201288311.db2.gz MHSJHSXDNKGTMO-QCEMKRCNSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CC1(C)C ZINC000435790488 201288236 /nfs/dbraw/zinc/28/82/36/201288236.db2.gz MHSJHSXDNKGTMO-TUUVXOQKSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000435791111 201287990 /nfs/dbraw/zinc/28/79/90/201287990.db2.gz MWDQOTWPBVGDSF-WDBKCZKBSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000435791112 201287594 /nfs/dbraw/zinc/28/75/94/201287594.db2.gz MWDQOTWPBVGDSF-XEGUGMAKSA-N 1 0 249.785 3.974 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435792672 201288718 /nfs/dbraw/zinc/28/87/18/201288718.db2.gz WQGRLLFKEWHEMF-BPUTZDHNSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435792673 201288423 /nfs/dbraw/zinc/28/84/23/201288423.db2.gz WQGRLLFKEWHEMF-FVQBIDKESA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)CCCSCCC[NH+]1CCCC1 ZINC000436202788 201314121 /nfs/dbraw/zinc/31/41/21/201314121.db2.gz MPITWNPVVSFLOO-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436230038 201314342 /nfs/dbraw/zinc/31/43/42/201314342.db2.gz GVURWCPJJVKQHS-UHFFFAOYSA-N 1 0 248.345 3.975 20 0 BHADRO CC1([NH2+]Cc2cc3c(cccc3F)[nH]2)CCCC1 ZINC000436231176 201314161 /nfs/dbraw/zinc/31/41/61/201314161.db2.gz DYXICQFFUKWRFW-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436233955 201313859 /nfs/dbraw/zinc/31/38/59/201313859.db2.gz PYJULOOAXBKPSJ-LLVKDONJSA-N 1 0 248.345 3.975 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436233956 201314242 /nfs/dbraw/zinc/31/42/42/201314242.db2.gz PYJULOOAXBKPSJ-NSHDSACASA-N 1 0 248.345 3.975 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436237228 201315111 /nfs/dbraw/zinc/31/51/11/201315111.db2.gz APNKFGSGHUHDLH-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436237439 201314180 /nfs/dbraw/zinc/31/41/80/201314180.db2.gz IICFCCOSOHMYCT-LLVKDONJSA-N 1 0 248.345 3.689 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436237440 201314498 /nfs/dbraw/zinc/31/44/98/201314498.db2.gz IICFCCOSOHMYCT-NSHDSACASA-N 1 0 248.345 3.689 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436239046 201314552 /nfs/dbraw/zinc/31/45/52/201314552.db2.gz GEIYUBZEDSIPLJ-UHFFFAOYSA-N 1 0 248.345 3.975 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436240101 201313501 /nfs/dbraw/zinc/31/35/01/201313501.db2.gz NGQOMWKZWWFWSW-CVEARBPZSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436240102 201314898 /nfs/dbraw/zinc/31/48/98/201314898.db2.gz NGQOMWKZWWFWSW-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436240103 201314354 /nfs/dbraw/zinc/31/43/54/201314354.db2.gz NGQOMWKZWWFWSW-HZPDHXFCSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436240104 201314972 /nfs/dbraw/zinc/31/49/72/201314972.db2.gz NGQOMWKZWWFWSW-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000436240543 201314669 /nfs/dbraw/zinc/31/46/69/201314669.db2.gz PFFBZDASFXSKIY-GDBMZVCRSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000436240544 201314751 /nfs/dbraw/zinc/31/47/51/201314751.db2.gz PFFBZDASFXSKIY-GOEBONIOSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000436240545 201315045 /nfs/dbraw/zinc/31/50/45/201315045.db2.gz PFFBZDASFXSKIY-HOCLYGCPSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@H]2CC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000436240546 201315033 /nfs/dbraw/zinc/31/50/33/201315033.db2.gz PFFBZDASFXSKIY-ZBFHGGJFSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000436240598 566368962 /nfs/dbraw/zinc/36/89/62/566368962.db2.gz OZPRTGXARDEAJE-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000436240603 566369247 /nfs/dbraw/zinc/36/92/47/566369247.db2.gz OZPRTGXARDEAJE-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000436240604 566369326 /nfs/dbraw/zinc/36/93/26/566369326.db2.gz OZPRTGXARDEAJE-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000436240605 566369384 /nfs/dbraw/zinc/36/93/84/566369384.db2.gz OZPRTGXARDEAJE-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436242650 201315139 /nfs/dbraw/zinc/31/51/39/201315139.db2.gz NXDSKOGURNRQGR-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436242651 201313651 /nfs/dbraw/zinc/31/36/51/201313651.db2.gz NXDSKOGURNRQGR-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436242652 201314970 /nfs/dbraw/zinc/31/49/70/201314970.db2.gz NXDSKOGURNRQGR-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000436242653 201314469 /nfs/dbraw/zinc/31/44/69/201314469.db2.gz NXDSKOGURNRQGR-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436246081 201314001 /nfs/dbraw/zinc/31/40/01/201314001.db2.gz JEBCYOXMOLMXSV-JTQLQIEISA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436246083 201313503 /nfs/dbraw/zinc/31/35/03/201313503.db2.gz JEBCYOXMOLMXSV-SNVBAGLBSA-N 1 0 246.329 3.585 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+][C@@H]3CC=CCC3)cc21 ZINC000436248367 201317463 /nfs/dbraw/zinc/31/74/63/201317463.db2.gz XKQOCWBMCZOPGI-LLVKDONJSA-N 1 0 244.313 3.505 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+][C@H]3CC=CCC3)cc21 ZINC000436248368 201317728 /nfs/dbraw/zinc/31/77/28/201317728.db2.gz XKQOCWBMCZOPGI-NSHDSACASA-N 1 0 244.313 3.505 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436248441 201315826 /nfs/dbraw/zinc/31/58/26/201315826.db2.gz XRJWNCCAUUZAJE-GHMZBOCLSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436248442 201315473 /nfs/dbraw/zinc/31/54/73/201315473.db2.gz XRJWNCCAUUZAJE-MNOVXSKESA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436248444 201315939 /nfs/dbraw/zinc/31/59/39/201315939.db2.gz XRJWNCCAUUZAJE-QWRGUYRKSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436248446 201317357 /nfs/dbraw/zinc/31/73/57/201317357.db2.gz XRJWNCCAUUZAJE-WDEREUQCSA-N 1 0 248.345 3.831 20 0 BHADRO CC1=CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000436251660 201317895 /nfs/dbraw/zinc/31/78/95/201317895.db2.gz GDIDVICGJAXFJT-HNNXBMFYSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CCC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000436251661 201315760 /nfs/dbraw/zinc/31/57/60/201315760.db2.gz GDIDVICGJAXFJT-OAHLLOKOSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000436252465 201317953 /nfs/dbraw/zinc/31/79/53/201317953.db2.gz MFFDWTJFQIXRNL-HNNXBMFYSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000436252467 201315481 /nfs/dbraw/zinc/31/54/81/201315481.db2.gz MFFDWTJFQIXRNL-OAHLLOKOSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000436256533 201315496 /nfs/dbraw/zinc/31/54/96/201315496.db2.gz ASJIXGCRXWJAQC-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO CC1=CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000436256924 201315574 /nfs/dbraw/zinc/31/55/74/201315574.db2.gz BZBIRSWBOHGZKO-UHFFFAOYSA-N 1 0 235.758 3.535 20 0 BHADRO Cc1ccccc1CCC[N@H+]1CCC=C(C)C1 ZINC000436257261 201316836 /nfs/dbraw/zinc/31/68/36/201316836.db2.gz DDDNJBNSWQMJFP-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO CC1=CCC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000436257476 201317499 /nfs/dbraw/zinc/31/74/99/201317499.db2.gz FMCZLRPKJSJBMW-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO CC1=CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000436258596 201316246 /nfs/dbraw/zinc/31/62/46/201316246.db2.gz HUQDBYFVIPEQRA-INIZCTEOSA-N 1 0 227.351 3.716 20 0 BHADRO CC1=CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000436258597 201317453 /nfs/dbraw/zinc/31/74/53/201317453.db2.gz HUQDBYFVIPEQRA-MRXNPFEDSA-N 1 0 227.351 3.716 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC=C(C)C1 ZINC000436258600 201315802 /nfs/dbraw/zinc/31/58/02/201315802.db2.gz HVPWOYRKWLNTLW-HNNXBMFYSA-N 1 0 215.340 3.790 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC=C(C)C1 ZINC000436258601 201315784 /nfs/dbraw/zinc/31/57/84/201315784.db2.gz HVPWOYRKWLNTLW-OAHLLOKOSA-N 1 0 215.340 3.790 20 0 BHADRO CC1=CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000436258752 201315677 /nfs/dbraw/zinc/31/56/77/201315677.db2.gz JFBCZPRHLBSCSH-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000436259910 201317866 /nfs/dbraw/zinc/31/78/66/201317866.db2.gz GDAFCRRCPVGARK-LLVKDONJSA-N 1 0 237.293 3.678 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000436259911 201316762 /nfs/dbraw/zinc/31/67/62/201316762.db2.gz GDAFCRRCPVGARK-NSHDSACASA-N 1 0 237.293 3.678 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC=C(C)C1 ZINC000436260552 201317325 /nfs/dbraw/zinc/31/73/25/201317325.db2.gz MFZLSGDOLHILNF-AWEZNQCLSA-N 1 0 215.340 3.708 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC=C(C)C1 ZINC000436260555 201317752 /nfs/dbraw/zinc/31/77/52/201317752.db2.gz MFZLSGDOLHILNF-CQSZACIVSA-N 1 0 215.340 3.708 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000436260643 201316569 /nfs/dbraw/zinc/31/65/69/201316569.db2.gz MUSKHEPDSMXLKY-LLVKDONJSA-N 1 0 237.293 3.678 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000436260644 201316346 /nfs/dbraw/zinc/31/63/46/201316346.db2.gz MUSKHEPDSMXLKY-NSHDSACASA-N 1 0 237.293 3.678 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000436261303 201317386 /nfs/dbraw/zinc/31/73/86/201317386.db2.gz JVHIDGCCENEBJB-GFCCVEGCSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000436261304 201317832 /nfs/dbraw/zinc/31/78/32/201317832.db2.gz JVHIDGCCENEBJB-LBPRGKRZSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000436263526 201317403 /nfs/dbraw/zinc/31/74/03/201317403.db2.gz SKPKPXNDFWRXJE-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC=C(C)C1 ZINC000436264251 201317588 /nfs/dbraw/zinc/31/75/88/201317588.db2.gz PGJKNRKFVBWPPK-HNNXBMFYSA-N 1 0 233.330 3.929 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC=C(C)C1 ZINC000436264252 201316922 /nfs/dbraw/zinc/31/69/22/201316922.db2.gz PGJKNRKFVBWPPK-OAHLLOKOSA-N 1 0 233.330 3.929 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC=C(C)C2)c1 ZINC000436265062 201317920 /nfs/dbraw/zinc/31/79/20/201317920.db2.gz XTFWPZVTEFMOJK-AWEZNQCLSA-N 1 0 215.340 3.708 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC=C(C)C2)c1 ZINC000436265063 201316529 /nfs/dbraw/zinc/31/65/29/201316529.db2.gz XTFWPZVTEFMOJK-CQSZACIVSA-N 1 0 215.340 3.708 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC=C(C)C2)cc1 ZINC000436265367 201316297 /nfs/dbraw/zinc/31/62/97/201316297.db2.gz MBUNNXFWDVCUSD-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CC1=CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000436265951 201316646 /nfs/dbraw/zinc/31/66/46/201316646.db2.gz NHEBBVCHTUNJJS-UHFFFAOYSA-N 1 0 237.293 3.776 20 0 BHADRO Cc1cccc(CCC[N@H+]2CCC=C(C)C2)c1 ZINC000436267156 201316934 /nfs/dbraw/zinc/31/69/34/201316934.db2.gz CGGQPFQNFUVINZ-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000436267206 201317061 /nfs/dbraw/zinc/31/70/61/201317061.db2.gz WMNAQUUQRRDMCL-GFCCVEGCSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000436267207 201317396 /nfs/dbraw/zinc/31/73/96/201317396.db2.gz WMNAQUUQRRDMCL-LBPRGKRZSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000436267248 201318041 /nfs/dbraw/zinc/31/80/41/201318041.db2.gz XEAYZXVCAVRVCO-GFCCVEGCSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000436267249 201316001 /nfs/dbraw/zinc/31/60/01/201316001.db2.gz XEAYZXVCAVRVCO-LBPRGKRZSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000436267257 201316869 /nfs/dbraw/zinc/31/68/69/201316869.db2.gz XHZQLQDNFBGMLT-LLVKDONJSA-N 1 0 237.293 3.678 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000436267258 201316826 /nfs/dbraw/zinc/31/68/26/201316826.db2.gz XHZQLQDNFBGMLT-NSHDSACASA-N 1 0 237.293 3.678 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+]C3CCCCC3)cc21 ZINC000436267783 201317654 /nfs/dbraw/zinc/31/76/54/201317654.db2.gz RVUBWJWXXPXKDC-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436268349 201316046 /nfs/dbraw/zinc/31/60/46/201316046.db2.gz GIRZDVPPZHDGQS-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO CC1=CCC[N@H+](CCSCc2ccccc2)C1 ZINC000436268364 201315752 /nfs/dbraw/zinc/31/57/52/201315752.db2.gz GMZORZNEZLTFDY-UHFFFAOYSA-N 1 0 247.407 3.572 20 0 BHADRO Cc1ccc(CCC[N@H+]2CCC=C(C)C2)cc1 ZINC000436268372 201317029 /nfs/dbraw/zinc/31/70/29/201317029.db2.gz GTQLUMUCKKDPMD-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO CC1=CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000436268755 201315464 /nfs/dbraw/zinc/31/54/64/201315464.db2.gz VHLQWMQKRHYINU-UHFFFAOYSA-N 1 0 237.293 3.776 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC=C(C)C1 ZINC000436269351 201315947 /nfs/dbraw/zinc/31/59/47/201315947.db2.gz XSWQJRWWVNOVMH-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CC1=CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000436270116 201317732 /nfs/dbraw/zinc/31/77/32/201317732.db2.gz MRHKDBYVUVNPFG-HNNXBMFYSA-N 1 0 229.367 3.660 20 0 BHADRO CC1=CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000436270117 201317227 /nfs/dbraw/zinc/31/72/27/201317227.db2.gz MRHKDBYVUVNPFG-OAHLLOKOSA-N 1 0 229.367 3.660 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+]CC3CCCC3)cc21 ZINC000436270467 201316822 /nfs/dbraw/zinc/31/68/22/201316822.db2.gz BAJWOSROZVCQBX-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436271500 201317304 /nfs/dbraw/zinc/31/73/04/201317304.db2.gz DPMFZBUYXFWMJA-CVEARBPZSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436271519 201316914 /nfs/dbraw/zinc/31/69/14/201316914.db2.gz DPMFZBUYXFWMJA-HOTGVXAUSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436271521 201317473 /nfs/dbraw/zinc/31/74/73/201317473.db2.gz DPMFZBUYXFWMJA-HZPDHXFCSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436271523 201315974 /nfs/dbraw/zinc/31/59/74/201315974.db2.gz DPMFZBUYXFWMJA-JKSUJKDBSA-N 1 0 231.383 3.788 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436272504 201317773 /nfs/dbraw/zinc/31/77/73/201317773.db2.gz GVVSZVKSZAQBPC-UHFFFAOYSA-N 1 0 234.318 3.585 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436272599 201317646 /nfs/dbraw/zinc/31/76/46/201317646.db2.gz HFFGSONEUIMXJA-CVEARBPZSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436272600 201316007 /nfs/dbraw/zinc/31/60/07/201316007.db2.gz HFFGSONEUIMXJA-HOTGVXAUSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436272601 201315779 /nfs/dbraw/zinc/31/57/79/201315779.db2.gz HFFGSONEUIMXJA-HZPDHXFCSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436272602 201317747 /nfs/dbraw/zinc/31/77/47/201317747.db2.gz HFFGSONEUIMXJA-JKSUJKDBSA-N 1 0 231.383 3.643 20 0 BHADRO CC1=CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000436273193 201318372 /nfs/dbraw/zinc/31/83/72/201318372.db2.gz VOOVEJSYBHKLLS-INIZCTEOSA-N 1 0 245.341 3.855 20 0 BHADRO CC1=CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000436273201 201318423 /nfs/dbraw/zinc/31/84/23/201318423.db2.gz VOOVEJSYBHKLLS-MRXNPFEDSA-N 1 0 245.341 3.855 20 0 BHADRO CC1=CCC[N@H+](CCCCc2ccccc2)C1 ZINC000436274876 201318856 /nfs/dbraw/zinc/31/88/56/201318856.db2.gz ZRLHSXPRIINAOH-UHFFFAOYSA-N 1 0 229.367 3.661 20 0 BHADRO c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000436279567 201319969 /nfs/dbraw/zinc/31/99/69/201319969.db2.gz KAGOTCIEBKXQQD-DOTOQJQBSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000436279568 201319663 /nfs/dbraw/zinc/31/96/63/201319663.db2.gz KAGOTCIEBKXQQD-NVXWUHKLSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000436279569 201319720 /nfs/dbraw/zinc/31/97/20/201319720.db2.gz KAGOTCIEBKXQQD-RDJZCZTQSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000436279770 201319029 /nfs/dbraw/zinc/31/90/29/201319029.db2.gz KAGOTCIEBKXQQD-WBVHZDCISA-N 1 0 243.394 3.930 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436280236 201318962 /nfs/dbraw/zinc/31/89/62/201318962.db2.gz LUAGLXNNMOAZBP-UHFFFAOYSA-N 1 0 234.318 3.585 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436280867 201319144 /nfs/dbraw/zinc/31/91/44/201319144.db2.gz FUEPSTULEIPYIQ-CBUUIXETSA-N 1 0 243.394 3.786 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436280868 386014223 /nfs/dbraw/zinc/01/42/23/386014223.db2.gz FUEPSTULEIPYIQ-DBGUYSSFSA-N 1 0 243.394 3.786 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436280869 191450028 /nfs/dbraw/zinc/45/00/28/191450028.db2.gz FUEPSTULEIPYIQ-JCUPBUFNSA-N 1 0 243.394 3.786 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436281006 201318832 /nfs/dbraw/zinc/31/88/32/201318832.db2.gz NYOXGEZZVGKKNB-ILXRZTDVSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436281007 201319402 /nfs/dbraw/zinc/31/94/02/201319402.db2.gz NYOXGEZZVGKKNB-KFWWJZLASA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436281008 201318292 /nfs/dbraw/zinc/31/82/92/201318292.db2.gz NYOXGEZZVGKKNB-KKUMJFAQSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436281009 201319531 /nfs/dbraw/zinc/31/95/31/201319531.db2.gz NYOXGEZZVGKKNB-ZNMIVQPWSA-N 1 0 229.367 3.711 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436281170 386013922 /nfs/dbraw/zinc/01/39/22/386013922.db2.gz FUEPSTULEIPYIQ-YTWPKEEVSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CCC1 ZINC000436282983 201318983 /nfs/dbraw/zinc/31/89/83/201318983.db2.gz IOVBRWHHXXMWPR-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CCC1 ZINC000436282984 201319128 /nfs/dbraw/zinc/31/91/28/201319128.db2.gz IOVBRWHHXXMWPR-RCBQFDQVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436283276 201318495 /nfs/dbraw/zinc/31/84/95/201318495.db2.gz JFPOPPVAMXNDTO-MRVWCRGKSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436283277 201318640 /nfs/dbraw/zinc/31/86/40/201318640.db2.gz JFPOPPVAMXNDTO-UBHSHLNASA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)C(C)C ZINC000436284165 201318246 /nfs/dbraw/zinc/31/82/46/201318246.db2.gz WULAGKJWIGEQLW-AWEZNQCLSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)C(C)C ZINC000436284166 201318902 /nfs/dbraw/zinc/31/89/02/201318902.db2.gz WULAGKJWIGEQLW-CQSZACIVSA-N 1 0 248.345 3.831 20 0 BHADRO CCCCC[NH2+]CC1(CCOC)CCCCC1 ZINC000436284698 201319667 /nfs/dbraw/zinc/31/96/67/201319667.db2.gz YMKDNBXPUINKFR-UHFFFAOYSA-N 1 0 241.419 3.753 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436285330 201318685 /nfs/dbraw/zinc/31/86/85/201318685.db2.gz OADDEDOVSSHEGP-DJSGYFEHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436285332 201319873 /nfs/dbraw/zinc/31/98/73/201319873.db2.gz OADDEDOVSSHEGP-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCF ZINC000436285397 201318487 /nfs/dbraw/zinc/31/84/87/201318487.db2.gz OLPADIRQHDKOFT-LLVKDONJSA-N 1 0 249.329 3.924 20 0 BHADRO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCF ZINC000436285398 201319410 /nfs/dbraw/zinc/31/94/10/201319410.db2.gz OLPADIRQHDKOFT-NSHDSACASA-N 1 0 249.329 3.924 20 0 BHADRO CCC(CC)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436286825 201319466 /nfs/dbraw/zinc/31/94/66/201319466.db2.gz SXHYTKPFSTXTJU-NNUKFRKNSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436287026 201319590 /nfs/dbraw/zinc/31/95/90/201319590.db2.gz ICUFUQWLSAIGPN-UXIGCNINSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436287028 201319546 /nfs/dbraw/zinc/31/95/46/201319546.db2.gz ICUFUQWLSAIGPN-WHOFXGATSA-N 1 0 235.346 3.850 20 0 BHADRO CC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CCC1 ZINC000436287247 201318276 /nfs/dbraw/zinc/31/82/76/201318276.db2.gz BXLBYQKRDFZMRE-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO C[C@@H]([NH2+]CCF)c1cccc(-c2ccccc2)c1 ZINC000436288764 201319984 /nfs/dbraw/zinc/31/99/84/201319984.db2.gz FYGHIQNHFUFDNP-CYBMUJFWSA-N 1 0 243.325 3.974 20 0 BHADRO C[C@H]([NH2+]CCF)c1cccc(-c2ccccc2)c1 ZINC000436288765 201318935 /nfs/dbraw/zinc/31/89/35/201318935.db2.gz FYGHIQNHFUFDNP-ZDUSSCGKSA-N 1 0 243.325 3.974 20 0 BHADRO CCC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436289570 201318746 /nfs/dbraw/zinc/31/87/46/201318746.db2.gz XURBMZLZTDMTME-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436289713 201319115 /nfs/dbraw/zinc/31/91/15/201319115.db2.gz NOBLILWIXDRMGU-UXIGCNINSA-N 1 0 235.346 3.706 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436289715 201318341 /nfs/dbraw/zinc/31/83/41/201318341.db2.gz NOBLILWIXDRMGU-WHOFXGATSA-N 1 0 235.346 3.706 20 0 BHADRO FCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000436290531 201319189 /nfs/dbraw/zinc/31/91/89/201319189.db2.gz ZBWPPYBYFKYEJP-GFCCVEGCSA-N 1 0 249.354 3.838 20 0 BHADRO FCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000436290533 201318469 /nfs/dbraw/zinc/31/84/69/201318469.db2.gz ZBWPPYBYFKYEJP-LBPRGKRZSA-N 1 0 249.354 3.838 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C(C)(C)C ZINC000436290604 201319365 /nfs/dbraw/zinc/31/93/65/201319365.db2.gz ZMVHFOOGPLWKSR-BPLDGKMQSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C(C)(C)C ZINC000436290605 201319550 /nfs/dbraw/zinc/31/95/50/201319550.db2.gz ZMVHFOOGPLWKSR-QEJZJMRPSA-N 1 0 231.383 3.957 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000436291503 201318726 /nfs/dbraw/zinc/31/87/26/201318726.db2.gz AFISPHNCUQUVIM-YAELXRHOSA-N 1 0 249.785 3.974 20 0 BHADRO CCC1([NH2+]Cc2cc3c(cccc3F)[nH]2)CCC1 ZINC000436291642 201318475 /nfs/dbraw/zinc/31/84/75/201318475.db2.gz KHHUBZKWTVRVFQ-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CC1 ZINC000436292425 201318396 /nfs/dbraw/zinc/31/83/96/201318396.db2.gz BOYGXTUQYCOXLW-XEZPLFJOSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CC1 ZINC000436292429 201319786 /nfs/dbraw/zinc/31/97/86/201319786.db2.gz BOYGXTUQYCOXLW-XJKCOSOUSA-N 1 0 247.357 3.850 20 0 BHADRO CCC(CC)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436292592 201319089 /nfs/dbraw/zinc/31/90/89/201319089.db2.gz SRZDPTPAFMDFEV-AULYBMBSSA-N 1 0 235.346 3.850 20 0 BHADRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCF)C1 ZINC000436293379 201319614 /nfs/dbraw/zinc/31/96/14/201319614.db2.gz MOOUOAUFPFXTMD-AWEZNQCLSA-N 1 0 235.346 3.649 20 0 BHADRO CC1(C)CCc2ccccc2[C@H]([NH2+]CCF)C1 ZINC000436293380 201319508 /nfs/dbraw/zinc/31/95/08/201319508.db2.gz MOOUOAUFPFXTMD-CQSZACIVSA-N 1 0 235.346 3.649 20 0 BHADRO FCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000436295328 201319406 /nfs/dbraw/zinc/31/94/06/201319406.db2.gz YQXOJLJCJMRHDJ-CABCVRRESA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000436295330 201318702 /nfs/dbraw/zinc/31/87/02/201318702.db2.gz YQXOJLJCJMRHDJ-GJZGRUSLSA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000436295332 201319606 /nfs/dbraw/zinc/31/96/06/201319606.db2.gz YQXOJLJCJMRHDJ-HUUCEWRRSA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000436295333 201318502 /nfs/dbraw/zinc/31/85/02/201318502.db2.gz YQXOJLJCJMRHDJ-LSDHHAIUSA-N 1 0 235.346 3.662 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)C2CCC2)cc1 ZINC000436295687 201319831 /nfs/dbraw/zinc/31/98/31/201319831.db2.gz QCMVMRSXCVGWHS-GFCCVEGCSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H](C)C2CCC2)cc1 ZINC000436295688 201318258 /nfs/dbraw/zinc/31/82/58/201318258.db2.gz QCMVMRSXCVGWHS-LBPRGKRZSA-N 1 0 249.423 3.729 20 0 BHADRO CCCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436295717 201318530 /nfs/dbraw/zinc/31/85/30/201318530.db2.gz ZJDQMQQFPXBYOY-UHFFFAOYSA-N 1 0 234.318 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CCC1 ZINC000436295729 201319492 /nfs/dbraw/zinc/31/94/92/201319492.db2.gz ZMXKUIUWKVKFSO-DJSGYFEHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CCC1 ZINC000436295730 201318752 /nfs/dbraw/zinc/31/87/52/201318752.db2.gz ZMXKUIUWKVKFSO-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)CC2CC2)cc1 ZINC000436296087 201320993 /nfs/dbraw/zinc/32/09/93/201320993.db2.gz SVVAQIIAEINHDX-GFCCVEGCSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H](C)CC2CC2)cc1 ZINC000436296089 201320648 /nfs/dbraw/zinc/32/06/48/201320648.db2.gz SVVAQIIAEINHDX-LBPRGKRZSA-N 1 0 249.423 3.729 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+][C@@H]3C=CCCC3)cc21 ZINC000436296359 201321364 /nfs/dbraw/zinc/32/13/64/201321364.db2.gz RLZLSCPXBKXRTN-LLVKDONJSA-N 1 0 244.313 3.505 20 0 BHADRO Fc1cccc2[nH]c(C[NH2+][C@H]3C=CCCC3)cc21 ZINC000436296360 201320401 /nfs/dbraw/zinc/32/04/01/201320401.db2.gz RLZLSCPXBKXRTN-NSHDSACASA-N 1 0 244.313 3.505 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436297225 201320214 /nfs/dbraw/zinc/32/02/14/201320214.db2.gz UXFGAUOWSLSDEP-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436297226 201320140 /nfs/dbraw/zinc/32/01/40/201320140.db2.gz UXFGAUOWSLSDEP-RCBQFDQVSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCF)CCC2 ZINC000436298479 201321571 /nfs/dbraw/zinc/32/15/71/201321571.db2.gz PVZXTQNLSZNXMK-HNNXBMFYSA-N 1 0 235.346 3.747 20 0 BHADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCF)CCC2 ZINC000436298480 201320228 /nfs/dbraw/zinc/32/02/28/201320228.db2.gz PVZXTQNLSZNXMK-OAHLLOKOSA-N 1 0 235.346 3.747 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCF)C2CCCC2)cc1 ZINC000436299382 201320240 /nfs/dbraw/zinc/32/02/40/201320240.db2.gz FUAQUFSDGXXJQF-HNNXBMFYSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCF)C2CCCC2)cc1 ZINC000436299383 201321559 /nfs/dbraw/zinc/32/15/59/201321559.db2.gz FUAQUFSDGXXJQF-OAHLLOKOSA-N 1 0 235.346 3.785 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299704 201320628 /nfs/dbraw/zinc/32/06/28/201320628.db2.gz KUSDZXJZVBVFCV-OCVGTWLNSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299705 201321085 /nfs/dbraw/zinc/32/10/85/201321085.db2.gz KUSDZXJZVBVFCV-RRCSTGOVSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299706 201320157 /nfs/dbraw/zinc/32/01/57/201320157.db2.gz KUSDZXJZVBVFCV-SDADXPQNSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299707 201320418 /nfs/dbraw/zinc/32/04/18/201320418.db2.gz KUSDZXJZVBVFCV-XRGAULLZSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1(C)CC1 ZINC000436300152 201321433 /nfs/dbraw/zinc/32/14/33/201321433.db2.gz LOROHICUJCKODS-AVGNSLFASA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1(C)CC1 ZINC000436300154 201320748 /nfs/dbraw/zinc/32/07/48/201320748.db2.gz LOROHICUJCKODS-JHJVBQTASA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000436301253 201321668 /nfs/dbraw/zinc/32/16/68/201321668.db2.gz MVVNBMWZFZNSBV-HAQNSBGRSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301653 201321532 /nfs/dbraw/zinc/32/15/32/201321532.db2.gz NJCDVPYVMHQJTQ-LLVKDONJSA-N 1 0 248.345 3.831 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301655 201320082 /nfs/dbraw/zinc/32/00/82/201320082.db2.gz NJCDVPYVMHQJTQ-NSHDSACASA-N 1 0 248.345 3.831 20 0 BHADRO CC1(C)CC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000436301825 201321565 /nfs/dbraw/zinc/32/15/65/201321565.db2.gz OQAAMFKGSUJZJI-MQMHXKEQSA-N 1 0 247.357 3.850 20 0 BHADRO CSc1ccc(CC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000436302360 201320855 /nfs/dbraw/zinc/32/08/55/201320855.db2.gz UAKQWEQGNKLWBL-GFCCVEGCSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000436302361 201321177 /nfs/dbraw/zinc/32/11/77/201321177.db2.gz UAKQWEQGNKLWBL-LBPRGKRZSA-N 1 0 249.423 3.729 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1(C)CC1 ZINC000436302432 201321003 /nfs/dbraw/zinc/32/10/03/201321003.db2.gz USASXDBWTSSELT-BPLDGKMQSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1(C)CC1 ZINC000436302433 201320409 /nfs/dbraw/zinc/32/04/09/201320409.db2.gz USASXDBWTSSELT-QEJZJMRPSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CC1 ZINC000436303371 201321404 /nfs/dbraw/zinc/32/14/04/201321404.db2.gz BCLDTTUBVSJCFN-BZUAXINKSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CC1 ZINC000436303372 201320827 /nfs/dbraw/zinc/32/08/27/201320827.db2.gz BCLDTTUBVSJCFN-JYJNAYRXSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CCC1 ZINC000436304082 201321420 /nfs/dbraw/zinc/32/14/20/201321420.db2.gz FMMVCRMDHBCYKJ-MRVWCRGKSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CCC1 ZINC000436304083 201321447 /nfs/dbraw/zinc/32/14/47/201321447.db2.gz FMMVCRMDHBCYKJ-UBHSHLNASA-N 1 0 247.357 3.850 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436304746 201321719 /nfs/dbraw/zinc/32/17/19/201321719.db2.gz ZCWWPJKGXVNYAL-BPLDGKMQSA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436304747 201321080 /nfs/dbraw/zinc/32/10/80/201321080.db2.gz ZCWWPJKGXVNYAL-YUELXQCFSA-N 1 0 249.423 3.664 20 0 BHADRO FCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000436304910 541393241 /nfs/dbraw/zinc/39/32/41/541393241.db2.gz FRSHMUXVHZAQPJ-INIZCTEOSA-N 1 0 249.373 3.737 20 0 BHADRO FCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000436304912 541393110 /nfs/dbraw/zinc/39/31/10/541393110.db2.gz FRSHMUXVHZAQPJ-MRXNPFEDSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1(C)CC1 ZINC000436306553 201321232 /nfs/dbraw/zinc/32/12/32/201321232.db2.gz PFRQRYFYSILQJU-UXIGCNINSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1(C)CC1 ZINC000436306554 201321522 /nfs/dbraw/zinc/32/15/22/201321522.db2.gz PFRQRYFYSILQJU-WHOFXGATSA-N 1 0 247.357 3.850 20 0 BHADRO CSc1ccc(CC[NH2+]C2CC(C)(C)C2)cc1 ZINC000436306850 201321620 /nfs/dbraw/zinc/32/16/20/201321620.db2.gz JBMDMFNGANXZBD-UHFFFAOYSA-N 1 0 249.423 3.729 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436308287 201320798 /nfs/dbraw/zinc/32/07/98/201320798.db2.gz PFTYSYUIFYMHFE-AVGNSLFASA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436308288 201321514 /nfs/dbraw/zinc/32/15/14/201321514.db2.gz PFTYSYUIFYMHFE-JHJVBQTASA-N 1 0 235.346 3.850 20 0 BHADRO Cc1cc2cc([C@@H](C)[NH2+]CCF)oc2cc1C ZINC000436308820 201321066 /nfs/dbraw/zinc/32/10/66/201321066.db2.gz NONHUQWXADJTKZ-LLVKDONJSA-N 1 0 235.302 3.670 20 0 BHADRO Cc1cc2cc([C@H](C)[NH2+]CCF)oc2cc1C ZINC000436308821 201320471 /nfs/dbraw/zinc/32/04/71/201320471.db2.gz NONHUQWXADJTKZ-NSHDSACASA-N 1 0 235.302 3.670 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C(C)C ZINC000436309851 201320180 /nfs/dbraw/zinc/32/01/80/201320180.db2.gz WDUUEYOPUVYSCJ-BZUAXINKSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C(C)C ZINC000436309853 201321536 /nfs/dbraw/zinc/32/15/36/201321536.db2.gz WDUUEYOPUVYSCJ-JYJNAYRXSA-N 1 0 231.383 3.957 20 0 BHADRO CC1(C)CC([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000436310078 201320211 /nfs/dbraw/zinc/32/02/11/201320211.db2.gz PTYZFRPUKTVUFC-HDJSIYSDSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000436310248 201321007 /nfs/dbraw/zinc/32/10/07/201321007.db2.gz WMITXIVRRHEAFO-PQCUMEFNSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436310439 201320330 /nfs/dbraw/zinc/32/03/30/201320330.db2.gz UTYBCNSDCRZEHD-AVGNSLFASA-N 1 0 235.346 3.706 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436310440 201321398 /nfs/dbraw/zinc/32/13/98/201321398.db2.gz UTYBCNSDCRZEHD-JHJVBQTASA-N 1 0 235.346 3.706 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(SC)cc1)C1CC1 ZINC000436312781 201320251 /nfs/dbraw/zinc/32/02/51/201320251.db2.gz VVLZNNXDQDSNDU-HNNXBMFYSA-N 1 0 249.423 3.729 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(SC)cc1)C1CC1 ZINC000436312782 201321373 /nfs/dbraw/zinc/32/13/73/201321373.db2.gz VVLZNNXDQDSNDU-OAHLLOKOSA-N 1 0 249.423 3.729 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000436317675 201321099 /nfs/dbraw/zinc/32/10/99/201321099.db2.gz WELWVGFIGXKQCO-BPUTZDHNSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000436317676 201320298 /nfs/dbraw/zinc/32/02/98/201320298.db2.gz WELWVGFIGXKQCO-FVQBIDKESA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)(CC1CCCCCC1)[NH2+]Cc1cc[nH]n1 ZINC000436380537 201322088 /nfs/dbraw/zinc/32/20/88/201322088.db2.gz BGDLSJIVQYLONA-UHFFFAOYSA-N 1 0 249.402 3.638 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000436402368 201325431 /nfs/dbraw/zinc/32/54/31/201325431.db2.gz WGVWPDYDXDISHD-GWCFXTLKSA-N 1 0 247.313 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000436402369 201325500 /nfs/dbraw/zinc/32/55/00/201325500.db2.gz WGVWPDYDXDISHD-GXFFZTMASA-N 1 0 247.313 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000436402370 201324280 /nfs/dbraw/zinc/32/42/80/201324280.db2.gz WGVWPDYDXDISHD-MFKMUULPSA-N 1 0 247.313 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000436402371 201325172 /nfs/dbraw/zinc/32/51/72/201325172.db2.gz WGVWPDYDXDISHD-ZWNOBZJWSA-N 1 0 247.313 3.850 20 0 BHADRO CCOC(C)(C)C[NH2+]C[C@H](CC)c1ccccc1 ZINC000436405787 201325214 /nfs/dbraw/zinc/32/52/14/201325214.db2.gz CDRFZZLCFPLZGT-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCOC(C)(C)C[NH2+]C[C@@H](CC)c1ccccc1 ZINC000436406303 201325656 /nfs/dbraw/zinc/32/56/56/201325656.db2.gz CDRFZZLCFPLZGT-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436407308 201325092 /nfs/dbraw/zinc/32/50/92/201325092.db2.gz HWSFVPYLKRRJQQ-GHMZBOCLSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436407310 201324870 /nfs/dbraw/zinc/32/48/70/201324870.db2.gz HWSFVPYLKRRJQQ-MNOVXSKESA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436407312 201323890 /nfs/dbraw/zinc/32/38/90/201323890.db2.gz HWSFVPYLKRRJQQ-QWRGUYRKSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436407314 191505560 /nfs/dbraw/zinc/50/55/60/191505560.db2.gz HWSFVPYLKRRJQQ-WDEREUQCSA-N 1 0 246.329 3.585 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000436411869 201325661 /nfs/dbraw/zinc/32/56/61/201325661.db2.gz QTFBISUWJPTYLZ-JYESXXLSSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000436411870 201324799 /nfs/dbraw/zinc/32/47/99/201324799.db2.gz QTFBISUWJPTYLZ-KWRPFLGHSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000436411871 201324840 /nfs/dbraw/zinc/32/48/40/201324840.db2.gz QTFBISUWJPTYLZ-OWBOGUFISA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000436412392 201324219 /nfs/dbraw/zinc/32/42/19/201324219.db2.gz QTFBISUWJPTYLZ-VBEUMERESA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000436413243 201324556 /nfs/dbraw/zinc/32/45/56/201324556.db2.gz SVTIWPIZYLAARD-FKZRYSJHSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000436413245 201323858 /nfs/dbraw/zinc/32/38/58/201323858.db2.gz SVTIWPIZYLAARD-IZIWTHDTSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000436413247 201325685 /nfs/dbraw/zinc/32/56/85/201325685.db2.gz SVTIWPIZYLAARD-QADGWQRPSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000436413249 201325137 /nfs/dbraw/zinc/32/51/37/201325137.db2.gz SVTIWPIZYLAARD-RDYIKARRSA-N 1 0 233.330 3.617 20 0 BHADRO CCCc1cccc(C[NH2+]CC(C)(C)OCC)c1 ZINC000436414698 201324159 /nfs/dbraw/zinc/32/41/59/201324159.db2.gz QZOIDLZZAGPQDJ-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCc2cccs2)C1 ZINC000436468741 201327804 /nfs/dbraw/zinc/32/78/04/201327804.db2.gz GHSAARCINHUQPN-UHFFFAOYSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000436470845 201328920 /nfs/dbraw/zinc/32/89/20/201328920.db2.gz IHQNOSNYJQAFCL-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000436470846 201328419 /nfs/dbraw/zinc/32/84/19/201328419.db2.gz IHQNOSNYJQAFCL-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccncc1 ZINC000436471478 201328529 /nfs/dbraw/zinc/32/85/29/201328529.db2.gz TWXFLOIKIOHGBA-NRXISQOPSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccncc1 ZINC000436471479 201328167 /nfs/dbraw/zinc/32/81/67/201328167.db2.gz TWXFLOIKIOHGBA-YMAMQOFZSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[N@@H+](Cc1ccc(C)c(OC)c1)CC1CC1 ZINC000436481449 201328051 /nfs/dbraw/zinc/32/80/51/201328051.db2.gz AOABPMSCOQALSQ-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO COc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)ccc1C ZINC000436483948 201328011 /nfs/dbraw/zinc/32/80/11/201328011.db2.gz GWZCKKQFCXKNTN-CYBMUJFWSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)ccc1C ZINC000436483951 201330112 /nfs/dbraw/zinc/33/01/12/201330112.db2.gz GWZCKKQFCXKNTN-ZDUSSCGKSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@H+](C)CC2CCCC2)ccc1C ZINC000436487071 201327545 /nfs/dbraw/zinc/32/75/45/201327545.db2.gz OZGLKFYXBGTWBA-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO COc1cc(C[N@H+](C)C2CCCCC2)ccc1C ZINC000436489119 201329436 /nfs/dbraw/zinc/32/94/36/201329436.db2.gz XIMHLZPUMBCERK-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO Fc1ccc2c(N[C@@H]3CCC[C@@H]3F)cc[nH+]c2c1 ZINC000436729753 201335731 /nfs/dbraw/zinc/33/57/31/201335731.db2.gz SSSDPIYBJMLWIZ-WCQYABFASA-N 1 0 248.276 3.676 20 0 BHADRO Fc1ccc2c(N[C@H]3CCC[C@H]3F)cc[nH+]c2c1 ZINC000436729755 201336778 /nfs/dbraw/zinc/33/67/78/201336778.db2.gz SSSDPIYBJMLWIZ-YPMHNXCESA-N 1 0 248.276 3.676 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437043664 206067432 /nfs/dbraw/zinc/06/74/32/206067432.db2.gz GFBUDZSKGNNOFW-DVOMOZLQSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437043665 206069019 /nfs/dbraw/zinc/06/90/19/206069019.db2.gz GFBUDZSKGNNOFW-IOASZLSFSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437043666 206068791 /nfs/dbraw/zinc/06/87/91/206068791.db2.gz GFBUDZSKGNNOFW-WWGRRREGSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437043667 206069202 /nfs/dbraw/zinc/06/92/02/206069202.db2.gz GFBUDZSKGNNOFW-XJKCOSOUSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000437044173 206068709 /nfs/dbraw/zinc/06/87/09/206068709.db2.gz HKMVEMPDAXMBLO-BJJXKVORSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000437044175 206068090 /nfs/dbraw/zinc/06/80/90/206068090.db2.gz HKMVEMPDAXMBLO-INWMFGNUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000437044178 201342951 /nfs/dbraw/zinc/34/29/51/201342951.db2.gz HKMVEMPDAXMBLO-NOLJZWGESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000437044180 206067467 /nfs/dbraw/zinc/06/74/67/206067467.db2.gz HKMVEMPDAXMBLO-XPKDYRNWSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437044908 206068322 /nfs/dbraw/zinc/06/83/22/206068322.db2.gz JGENBGYQRBWZJQ-IPYPFGDCSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000437044910 206068870 /nfs/dbraw/zinc/06/88/70/206068870.db2.gz JGENBGYQRBWZJQ-NFAWXSAZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437044913 206067933 /nfs/dbraw/zinc/06/79/33/206067933.db2.gz JGENBGYQRBWZJQ-UMVBOHGHSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000437044916 206069066 /nfs/dbraw/zinc/06/90/66/206069066.db2.gz JGENBGYQRBWZJQ-VNHYZAJKSA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437047488 206068978 /nfs/dbraw/zinc/06/89/78/206068978.db2.gz RKFPTFGCCCUDCG-BPLDGKMQSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437047489 206068889 /nfs/dbraw/zinc/06/88/89/206068889.db2.gz RKFPTFGCCCUDCG-SNPRPXQTSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437047490 206068043 /nfs/dbraw/zinc/06/80/43/206068043.db2.gz RKFPTFGCCCUDCG-VHDGCEQUSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437047491 206068196 /nfs/dbraw/zinc/06/81/96/206068196.db2.gz RKFPTFGCCCUDCG-YUELXQCFSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000437049763 206067461 /nfs/dbraw/zinc/06/74/61/206067461.db2.gz ZHVGGFBKRHLEPB-BFQNTYOBSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000437049764 206067926 /nfs/dbraw/zinc/06/79/26/206067926.db2.gz ZHVGGFBKRHLEPB-HSMVNMDESA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000437049765 206067951 /nfs/dbraw/zinc/06/79/51/206067951.db2.gz ZHVGGFBKRHLEPB-WQGACYEGSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000437049766 206067726 /nfs/dbraw/zinc/06/77/26/206067726.db2.gz ZHVGGFBKRHLEPB-XHBSWPGZSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1N(C)C ZINC000437054734 201342943 /nfs/dbraw/zinc/34/29/43/201342943.db2.gz FHQRBPCBQOUJDB-HZSPNIEDSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1N(C)C ZINC000437054739 201342894 /nfs/dbraw/zinc/34/28/94/201342894.db2.gz FHQRBPCBQOUJDB-MCIONIFRSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1N(C)C ZINC000437054742 206067443 /nfs/dbraw/zinc/06/74/43/206067443.db2.gz FHQRBPCBQOUJDB-MGPQQGTHSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1N(C)C ZINC000437054745 206068035 /nfs/dbraw/zinc/06/80/35/206068035.db2.gz FHQRBPCBQOUJDB-RDBSUJKOSA-N 1 0 246.398 3.592 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1cccnc1 ZINC000437057909 201344035 /nfs/dbraw/zinc/34/40/35/201344035.db2.gz OBWRNQOBZIIDHK-CFVMTHIKSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1cccnc1 ZINC000437057910 201343610 /nfs/dbraw/zinc/34/36/10/201343610.db2.gz OBWRNQOBZIIDHK-QEJZJMRPSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437057911 201343904 /nfs/dbraw/zinc/34/39/04/201343904.db2.gz OBWRNQOBZIIDHK-SNPRPXQTSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccnc1 ZINC000437057912 201344218 /nfs/dbraw/zinc/34/42/18/201344218.db2.gz OBWRNQOBZIIDHK-YUELXQCFSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)C(C)(C)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000437070531 201344246 /nfs/dbraw/zinc/34/42/46/201344246.db2.gz CQLIOHVLDCNZCV-UHFFFAOYSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC(C)(C)C(C)C ZINC000437074972 201343142 /nfs/dbraw/zinc/34/31/42/201343142.db2.gz DTAIJMANDJLQJB-CYBMUJFWSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC(C)(C)C(C)C ZINC000437074977 201344337 /nfs/dbraw/zinc/34/43/37/201344337.db2.gz DTAIJMANDJLQJB-ZDUSSCGKSA-N 1 0 234.387 3.723 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(CSC)c1)C1CC1 ZINC000437075212 201344483 /nfs/dbraw/zinc/34/44/83/201344483.db2.gz RSZUFTNVJZCUCG-HNNXBMFYSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(CSC)c1)C1CC1 ZINC000437075214 201343272 /nfs/dbraw/zinc/34/32/72/201343272.db2.gz RSZUFTNVJZCUCG-OAHLLOKOSA-N 1 0 249.423 3.828 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccccc1N(C)C(C)C ZINC000437078050 201343161 /nfs/dbraw/zinc/34/31/61/201343161.db2.gz MVJIQNIKAANPOS-AWEZNQCLSA-N 1 0 248.414 3.809 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccccc1N(C)C(C)C ZINC000437078064 201344112 /nfs/dbraw/zinc/34/41/12/201344112.db2.gz MVJIQNIKAANPOS-CQSZACIVSA-N 1 0 248.414 3.809 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000437080448 201343618 /nfs/dbraw/zinc/34/36/18/201343618.db2.gz WFGNLVWNGKDVIJ-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000437080449 201343713 /nfs/dbraw/zinc/34/37/13/201343713.db2.gz WFGNLVWNGKDVIJ-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000437080451 201344205 /nfs/dbraw/zinc/34/42/05/201344205.db2.gz WFGNLVWNGKDVIJ-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000437080453 201343341 /nfs/dbraw/zinc/34/33/41/201343341.db2.gz WFGNLVWNGKDVIJ-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccco1 ZINC000437085014 201343604 /nfs/dbraw/zinc/34/36/04/201343604.db2.gz YYAXJHODMKVEGW-NXEZZACHSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000437085015 201343889 /nfs/dbraw/zinc/34/38/89/201343889.db2.gz YYAXJHODMKVEGW-UWVGGRQHSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000437085016 206069157 /nfs/dbraw/zinc/06/91/57/206069157.db2.gz YYAXJHODMKVEGW-VHSXEESVSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccco1 ZINC000437085017 201343108 /nfs/dbraw/zinc/34/31/08/201343108.db2.gz YYAXJHODMKVEGW-ZJUUUORDSA-N 1 0 249.276 3.907 20 0 BHADRO Fc1cccc2c1OCC[C@H]2[NH2+]C1CCCCC1 ZINC000437089302 201343477 /nfs/dbraw/zinc/34/34/77/201343477.db2.gz UCGXZJVZSGVDGN-CQSZACIVSA-N 1 0 249.329 3.572 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437089423 201344050 /nfs/dbraw/zinc/34/40/50/201344050.db2.gz UOGBZAYGVFIZAY-BPUTZDHNSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437089426 201343413 /nfs/dbraw/zinc/34/34/13/201343413.db2.gz UOGBZAYGVFIZAY-CWRNSKLLSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437089428 201343082 /nfs/dbraw/zinc/34/30/82/201343082.db2.gz UOGBZAYGVFIZAY-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437089430 201344090 /nfs/dbraw/zinc/34/40/90/201344090.db2.gz UOGBZAYGVFIZAY-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000437089702 201343925 /nfs/dbraw/zinc/34/39/25/201343925.db2.gz CBJJSZKQIOOVNT-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000437089703 201344458 /nfs/dbraw/zinc/34/44/58/201344458.db2.gz CBJJSZKQIOOVNT-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000437091997 201343943 /nfs/dbraw/zinc/34/39/43/201343943.db2.gz RQOZWSDPHUCDLU-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](CC)C1CCCCC1 ZINC000437091999 201344019 /nfs/dbraw/zinc/34/40/19/201344019.db2.gz RQOZWSDPHUCDLU-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)N(C)c1ccccc1C[NH2+]C1CCCC1 ZINC000437095539 201344578 /nfs/dbraw/zinc/34/45/78/201344578.db2.gz LWMWUYVUNWZPEI-UHFFFAOYSA-N 1 0 246.398 3.563 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000437095662 201343639 /nfs/dbraw/zinc/34/36/39/201343639.db2.gz KJTCSWKOUSQWAN-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000437095663 201344015 /nfs/dbraw/zinc/34/40/15/201344015.db2.gz KJTCSWKOUSQWAN-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000437095664 201343787 /nfs/dbraw/zinc/34/37/87/201343787.db2.gz KJTCSWKOUSQWAN-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000437095665 201344031 /nfs/dbraw/zinc/34/40/31/201344031.db2.gz KJTCSWKOUSQWAN-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CSCc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000437100139 201344222 /nfs/dbraw/zinc/34/42/22/201344222.db2.gz AMTNNWUTXFNPCE-UHFFFAOYSA-N 1 0 249.423 3.972 20 0 BHADRO CCC(CC)[NH2+]Cc1ccccc1N(C)C(C)C ZINC000437101765 201343116 /nfs/dbraw/zinc/34/31/16/201343116.db2.gz YAFFBSZLAZHWDW-UHFFFAOYSA-N 1 0 248.414 3.809 20 0 BHADRO CSCc1cccc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000437102293 201343215 /nfs/dbraw/zinc/34/32/15/201343215.db2.gz XUTXALOFUQLSKZ-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000437102295 201343841 /nfs/dbraw/zinc/34/38/41/201343841.db2.gz XUTXALOFUQLSKZ-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO CCOC(C)(C)C[NH2+]C1CCC(C)(CC)CC1 ZINC000437102519 201343544 /nfs/dbraw/zinc/34/35/44/201343544.db2.gz WXVAHIPBRJXLRJ-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CSCc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000437105187 201344290 /nfs/dbraw/zinc/34/42/90/201344290.db2.gz RKAZXEKIRQHNBM-DOMZBBRYSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000437105189 201343979 /nfs/dbraw/zinc/34/39/79/201343979.db2.gz RKAZXEKIRQHNBM-IUODEOHRSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000437105191 201344631 /nfs/dbraw/zinc/34/46/31/201344631.db2.gz RKAZXEKIRQHNBM-SWLSCSKDSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000437105192 201344252 /nfs/dbraw/zinc/34/42/52/201344252.db2.gz RKAZXEKIRQHNBM-WFASDCNBSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000437106065 201343317 /nfs/dbraw/zinc/34/33/17/201343317.db2.gz URZYOAHTBOOLSX-DOMZBBRYSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000437106067 201344421 /nfs/dbraw/zinc/34/44/21/201344421.db2.gz URZYOAHTBOOLSX-IUODEOHRSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000437106068 201344061 /nfs/dbraw/zinc/34/40/61/201344061.db2.gz URZYOAHTBOOLSX-SWLSCSKDSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000437106070 201344565 /nfs/dbraw/zinc/34/45/65/201344565.db2.gz URZYOAHTBOOLSX-WFASDCNBSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000437110204 201346382 /nfs/dbraw/zinc/34/63/82/201346382.db2.gz UYPZFMMRBXILBA-GFCCVEGCSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000437110205 201346519 /nfs/dbraw/zinc/34/65/19/201346519.db2.gz UYPZFMMRBXILBA-LBPRGKRZSA-N 1 0 249.423 3.828 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)C(C)C ZINC000437112830 201346306 /nfs/dbraw/zinc/34/63/06/201346306.db2.gz VJDZIAKUCWWNKG-CYBMUJFWSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)C(C)C ZINC000437112831 201345966 /nfs/dbraw/zinc/34/59/66/201345966.db2.gz VJDZIAKUCWWNKG-ZDUSSCGKSA-N 1 0 248.414 3.977 20 0 BHADRO Cc1ccc(-c2cccc(C[NH2+]CCF)c2)cc1 ZINC000437245574 201348528 /nfs/dbraw/zinc/34/85/28/201348528.db2.gz QTTSJKKHKMMVBO-UHFFFAOYSA-N 1 0 243.325 3.721 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437251224 201348982 /nfs/dbraw/zinc/34/89/82/201348982.db2.gz ZBUVFNHFEKLIGS-BPGGGUHBSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437251227 201349705 /nfs/dbraw/zinc/34/97/05/201349705.db2.gz ZBUVFNHFEKLIGS-DNVSUFBTSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437251228 201349459 /nfs/dbraw/zinc/34/94/59/201349459.db2.gz ZBUVFNHFEKLIGS-IKVITTDRSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437251229 201349545 /nfs/dbraw/zinc/34/95/45/201349545.db2.gz ZBUVFNHFEKLIGS-NHULGOKLSA-N 1 0 249.785 3.832 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]CCF)s2)cc1 ZINC000437259046 201350012 /nfs/dbraw/zinc/35/00/12/201350012.db2.gz NFRYPRPJWNRJQQ-UHFFFAOYSA-N 1 0 249.354 3.783 20 0 BHADRO Cc1ccccc1-c1cccc(C[NH2+]CCF)c1 ZINC000437264278 201349463 /nfs/dbraw/zinc/34/94/63/201349463.db2.gz XNLAIXLPKMTHQM-UHFFFAOYSA-N 1 0 243.325 3.721 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000437272298 201349100 /nfs/dbraw/zinc/34/91/00/201349100.db2.gz XXUHDOOQSMWVGS-SHTZXODSSA-N 1 0 231.383 3.958 20 0 BHADRO CC1=CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000437340579 201351759 /nfs/dbraw/zinc/35/17/59/201351759.db2.gz VOZBXQKEGFOQJQ-UHFFFAOYSA-N 1 0 245.297 3.724 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000437342357 201351819 /nfs/dbraw/zinc/35/18/19/201351819.db2.gz GUSHTNUMOOAIMK-GXTWGEPZSA-N 1 0 231.339 3.555 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000437342358 201351462 /nfs/dbraw/zinc/35/14/62/201351462.db2.gz GUSHTNUMOOAIMK-JSGCOSHPSA-N 1 0 231.339 3.555 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000437342360 201350916 /nfs/dbraw/zinc/35/09/16/201350916.db2.gz GUSHTNUMOOAIMK-OCCSQVGLSA-N 1 0 231.339 3.555 20 0 BHADRO CC1=CCC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000437342362 201350693 /nfs/dbraw/zinc/35/06/93/201350693.db2.gz GUSHTNUMOOAIMK-TZMCWYRMSA-N 1 0 231.339 3.555 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CCC=C(C)C1 ZINC000437342435 201351249 /nfs/dbraw/zinc/35/12/49/201351249.db2.gz DXHQEDZFYUCTRJ-PTNGSMBKSA-N 1 0 227.351 3.742 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CCC=C(C)C1 ZINC000437342438 201352361 /nfs/dbraw/zinc/35/23/61/201352361.db2.gz DXHQEDZFYUCTRJ-RVDMUPIBSA-N 1 0 227.351 3.742 20 0 BHADRO CC1=CCC[N@@H+](Cc2cccn2CCC(C)C)C1 ZINC000437342990 201351093 /nfs/dbraw/zinc/35/10/93/201351093.db2.gz CDLUVCRVEAROOG-UHFFFAOYSA-N 1 0 246.398 3.686 20 0 BHADRO CCCOc1cccc(C[N@@H+]2CCC=C(C)C2)c1 ZINC000437345066 201350844 /nfs/dbraw/zinc/35/08/44/201350844.db2.gz JWMIWBYUSPKHCH-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO CC1=CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000437348269 201351943 /nfs/dbraw/zinc/35/19/43/201351943.db2.gz VIMKDKIJZQHVRZ-HNNXBMFYSA-N 1 0 229.367 3.832 20 0 BHADRO CC1=CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000437348338 201350998 /nfs/dbraw/zinc/35/09/98/201350998.db2.gz VIMKDKIJZQHVRZ-OAHLLOKOSA-N 1 0 229.367 3.832 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CCC=C(C)C1 ZINC000437348361 201351724 /nfs/dbraw/zinc/35/17/24/201351724.db2.gz SENNBNSYCUHYSV-UHFFFAOYSA-N 1 0 241.334 3.893 20 0 BHADRO CC1=CCC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000437348745 201351499 /nfs/dbraw/zinc/35/14/99/201351499.db2.gz WPHOBGRWVNUTPJ-CYBMUJFWSA-N 1 0 233.330 3.581 20 0 BHADRO CC1=CCC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000437348747 201350755 /nfs/dbraw/zinc/35/07/55/201350755.db2.gz WPHOBGRWVNUTPJ-ZDUSSCGKSA-N 1 0 233.330 3.581 20 0 BHADRO CC1=CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000437349345 201351595 /nfs/dbraw/zinc/35/15/95/201351595.db2.gz XSXDRYVEZYMCGL-UHFFFAOYSA-N 1 0 248.395 3.563 20 0 BHADRO CC1=CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000437349669 201350654 /nfs/dbraw/zinc/35/06/54/201350654.db2.gz WKYKOGJNYYXACA-UHFFFAOYSA-N 1 0 227.760 3.554 20 0 BHADRO CC1=CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000437349677 201350779 /nfs/dbraw/zinc/35/07/79/201350779.db2.gz VMVYPQUVYAPTPQ-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO CCSc1cccc(C[N@@H+]2CCC=C(C)C2)c1 ZINC000437351556 201351401 /nfs/dbraw/zinc/35/14/01/201351401.db2.gz ZRHBQQXOVZWHFU-UHFFFAOYSA-N 1 0 247.407 3.951 20 0 BHADRO CC1=CCC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000437352632 201352132 /nfs/dbraw/zinc/35/21/32/201352132.db2.gz FJOWUNQOXIHXNT-HNNXBMFYSA-N 1 0 229.367 3.517 20 0 BHADRO CC1=CCC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000437352633 201351642 /nfs/dbraw/zinc/35/16/42/201351642.db2.gz FJOWUNQOXIHXNT-OAHLLOKOSA-N 1 0 229.367 3.517 20 0 BHADRO CC1=CCC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000437355224 201350971 /nfs/dbraw/zinc/35/09/71/201350971.db2.gz UVDRWDFGCNGTDO-HWKANZROSA-N 1 0 249.304 3.630 20 0 BHADRO CC1=CCC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000437355225 201352245 /nfs/dbraw/zinc/35/22/45/201352245.db2.gz UVDRWDFGCNGTDO-HYXAFXHYSA-N 1 0 249.304 3.630 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000437520168 201354820 /nfs/dbraw/zinc/35/48/20/201354820.db2.gz QEZVNHXUJBEQDT-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000437520169 201355993 /nfs/dbraw/zinc/35/59/93/201355993.db2.gz QEZVNHXUJBEQDT-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000437525990 201355073 /nfs/dbraw/zinc/35/50/73/201355073.db2.gz QWCGHHJCQPXRBX-KBPBESRZSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000437525991 201356031 /nfs/dbraw/zinc/35/60/31/201356031.db2.gz QWCGHHJCQPXRBX-KGLIPLIRSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000437525992 201355910 /nfs/dbraw/zinc/35/59/10/201355910.db2.gz QWCGHHJCQPXRBX-UONOGXRCSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H]([N@@H+](C)C[C@@H](C)c1ccccc1)C1(C)CC1 ZINC000437525993 201354433 /nfs/dbraw/zinc/35/44/33/201354433.db2.gz QWCGHHJCQPXRBX-ZIAGYGMSSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H]([N@H+](C)CCC1CCCC1)C1(C)CC1 ZINC000437534430 201355433 /nfs/dbraw/zinc/35/54/33/201355433.db2.gz DSBSPXJFQCJHNH-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]([N@H+](C)CCC1CCCC1)C1(C)CC1 ZINC000437534437 201355484 /nfs/dbraw/zinc/35/54/84/201355484.db2.gz DSBSPXJFQCJHNH-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]([N@H+](C)CCSc1ccccc1)C1(C)CC1 ZINC000437541392 201355947 /nfs/dbraw/zinc/35/59/47/201355947.db2.gz WVVMWNRPITUUNI-CYBMUJFWSA-N 1 0 249.423 3.899 20 0 BHADRO C[C@H]([N@H+](C)CCSc1ccccc1)C1(C)CC1 ZINC000437541394 201354834 /nfs/dbraw/zinc/35/48/34/201354834.db2.gz WVVMWNRPITUUNI-ZDUSSCGKSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574220 201357924 /nfs/dbraw/zinc/35/79/24/201357924.db2.gz AUBMKXORXYFOGH-JTQLQIEISA-N 1 0 234.318 3.537 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574222 201357277 /nfs/dbraw/zinc/35/72/77/201357277.db2.gz AUBMKXORXYFOGH-SNVBAGLBSA-N 1 0 234.318 3.537 20 0 BHADRO CC(C)[N@H+](C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000437574463 201358279 /nfs/dbraw/zinc/35/82/79/201358279.db2.gz BKAQDNDCAZSJNO-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO CC(C)[N@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000437574466 201358136 /nfs/dbraw/zinc/35/81/36/201358136.db2.gz BKAQDNDCAZSJNO-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437574472 201356555 /nfs/dbraw/zinc/35/65/55/201356555.db2.gz BLUDVHNLXDKJCD-NEPJUHHUSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437574477 201357333 /nfs/dbraw/zinc/35/73/33/201357333.db2.gz BLUDVHNLXDKJCD-NWDGAFQWSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437574478 201356473 /nfs/dbraw/zinc/35/64/73/201356473.db2.gz BLUDVHNLXDKJCD-RYUDHWBXSA-N 1 0 223.335 3.660 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437574481 201358174 /nfs/dbraw/zinc/35/81/74/201358174.db2.gz BLUDVHNLXDKJCD-VXGBXAGGSA-N 1 0 223.335 3.660 20 0 BHADRO CCCC[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574850 201355636 /nfs/dbraw/zinc/35/56/36/201355636.db2.gz DIHRFAAYJOKYGZ-UHFFFAOYSA-N 1 0 234.318 3.539 20 0 BHADRO CC[NH+](CC)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437575003 201356899 /nfs/dbraw/zinc/35/68/99/201356899.db2.gz CNFDNSSIJAGSDU-CVEARBPZSA-N 1 0 231.383 3.839 20 0 BHADRO CC[NH+](CC)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437575004 201356973 /nfs/dbraw/zinc/35/69/73/201356973.db2.gz CNFDNSSIJAGSDU-HOTGVXAUSA-N 1 0 231.383 3.839 20 0 BHADRO CC[NH+](CC)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437575006 201356999 /nfs/dbraw/zinc/35/69/99/201356999.db2.gz CNFDNSSIJAGSDU-HZPDHXFCSA-N 1 0 231.383 3.839 20 0 BHADRO CC[NH+](CC)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437575007 201358528 /nfs/dbraw/zinc/35/85/28/201358528.db2.gz CNFDNSSIJAGSDU-JKSUJKDBSA-N 1 0 231.383 3.839 20 0 BHADRO C[N@H+](C1CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437577082 201357818 /nfs/dbraw/zinc/35/78/18/201357818.db2.gz DDRDVAYPDDTGPV-CVEARBPZSA-N 1 0 229.367 3.591 20 0 BHADRO C[N@H+](C1CC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437577084 201358459 /nfs/dbraw/zinc/35/84/59/201358459.db2.gz DDRDVAYPDDTGPV-HOTGVXAUSA-N 1 0 229.367 3.591 20 0 BHADRO C[N@H+](C1CC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437577086 201356285 /nfs/dbraw/zinc/35/62/85/201356285.db2.gz DDRDVAYPDDTGPV-HZPDHXFCSA-N 1 0 229.367 3.591 20 0 BHADRO C[N@H+](C1CC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437577088 201358392 /nfs/dbraw/zinc/35/83/92/201358392.db2.gz DDRDVAYPDDTGPV-JKSUJKDBSA-N 1 0 229.367 3.591 20 0 BHADRO CCCC[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437577296 201357660 /nfs/dbraw/zinc/35/76/60/201357660.db2.gz JTNVJVHUOCYBCD-GFCCVEGCSA-N 1 0 223.335 3.661 20 0 BHADRO CCCC[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437577299 201358509 /nfs/dbraw/zinc/35/85/09/201358509.db2.gz JTNVJVHUOCYBCD-LBPRGKRZSA-N 1 0 223.335 3.661 20 0 BHADRO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC(C)C ZINC000437578272 201356275 /nfs/dbraw/zinc/35/62/75/201356275.db2.gz LKTCJLMNWKZKEO-UHFFFAOYSA-N 1 0 248.345 3.785 20 0 BHADRO CCC[NH+](CCC)Cc1cc2c(cccc2F)[nH]1 ZINC000437579204 201358429 /nfs/dbraw/zinc/35/84/29/201358429.db2.gz NVNHLPCSWGNZJS-UHFFFAOYSA-N 1 0 248.345 3.929 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437579206 201356326 /nfs/dbraw/zinc/35/63/26/201356326.db2.gz NVOBDTNLCCKVHQ-CHWSQXEVSA-N 1 0 237.362 3.906 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437579216 201356707 /nfs/dbraw/zinc/35/67/07/201356707.db2.gz NVOBDTNLCCKVHQ-OLZOCXBDSA-N 1 0 237.362 3.906 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437579219 201356952 /nfs/dbraw/zinc/35/69/52/201356952.db2.gz NVOBDTNLCCKVHQ-QWHCGFSZSA-N 1 0 237.362 3.906 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437579221 201356783 /nfs/dbraw/zinc/35/67/83/201356783.db2.gz NVOBDTNLCCKVHQ-STQMWFEESA-N 1 0 237.362 3.906 20 0 BHADRO CCC[N@H+](CC)Cc1ccc2nc(C)ccc2c1 ZINC000437579251 201358540 /nfs/dbraw/zinc/35/85/40/201358540.db2.gz LCBHHRJBJFXAHY-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437579858 201356964 /nfs/dbraw/zinc/35/69/64/201356964.db2.gz MKCJAYPESUNTGP-LLVKDONJSA-N 1 0 248.345 3.927 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437579861 201358192 /nfs/dbraw/zinc/35/81/92/201358192.db2.gz MKCJAYPESUNTGP-NSHDSACASA-N 1 0 248.345 3.927 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437580797 201358486 /nfs/dbraw/zinc/35/84/86/201358486.db2.gz QXLKMIOWMUNWQR-LLVKDONJSA-N 1 0 248.345 3.783 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437580800 201357471 /nfs/dbraw/zinc/35/74/71/201357471.db2.gz QXLKMIOWMUNWQR-NSHDSACASA-N 1 0 248.345 3.783 20 0 BHADRO CCC[N@H+](C)CCCCCOc1ccccc1 ZINC000437580881 201357952 /nfs/dbraw/zinc/35/79/52/201357952.db2.gz KQGIDTVNTTXOFS-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCCCOc1ccccc1 ZINC000437581446 201358744 /nfs/dbraw/zinc/35/87/44/201358744.db2.gz PNJHPTOGNSHQQT-HNNXBMFYSA-N 1 0 249.398 3.966 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCCCOc1ccccc1 ZINC000437581448 201356389 /nfs/dbraw/zinc/35/63/89/201356389.db2.gz PNJHPTOGNSHQQT-OAHLLOKOSA-N 1 0 249.398 3.966 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(Cl)cc1F ZINC000437581494 201358241 /nfs/dbraw/zinc/35/82/41/201358241.db2.gz PTRJYWAMEQEPHV-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000437581563 201356406 /nfs/dbraw/zinc/35/64/06/201356406.db2.gz WGRDUVDYLMHJEF-GFCCVEGCSA-N 1 0 247.313 3.654 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000437581564 201356395 /nfs/dbraw/zinc/35/63/95/201356395.db2.gz WGRDUVDYLMHJEF-LBPRGKRZSA-N 1 0 247.313 3.654 20 0 BHADRO CCC[N@H+](CC)C[C@@H](C)c1ccc(F)cc1 ZINC000437582007 201356795 /nfs/dbraw/zinc/35/67/95/201356795.db2.gz QKXCDFJCURYNOP-GFCCVEGCSA-N 1 0 223.335 3.661 20 0 BHADRO CCC[N@H+](CC)C[C@H](C)c1ccc(F)cc1 ZINC000437582009 201358447 /nfs/dbraw/zinc/35/84/47/201358447.db2.gz QKXCDFJCURYNOP-LBPRGKRZSA-N 1 0 223.335 3.661 20 0 BHADRO CCC[N@H+](CC)Cc1cc2c(cccc2F)[nH]1 ZINC000437582946 201357289 /nfs/dbraw/zinc/35/72/89/201357289.db2.gz RKDFZDIWGADWTP-UHFFFAOYSA-N 1 0 234.318 3.539 20 0 BHADRO CC(C)[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437583411 201357254 /nfs/dbraw/zinc/35/72/54/201357254.db2.gz SOIHUPZIWJTNQK-UHFFFAOYSA-N 1 0 246.329 3.680 20 0 BHADRO CCC[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437583740 201356850 /nfs/dbraw/zinc/35/68/50/201356850.db2.gz QFHLOLNJPKLXKY-CVEARBPZSA-N 1 0 231.383 3.839 20 0 BHADRO CCC[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437583742 201357263 /nfs/dbraw/zinc/35/72/63/201357263.db2.gz QFHLOLNJPKLXKY-HOTGVXAUSA-N 1 0 231.383 3.839 20 0 BHADRO CCC[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437583743 201356423 /nfs/dbraw/zinc/35/64/23/201356423.db2.gz QFHLOLNJPKLXKY-HZPDHXFCSA-N 1 0 231.383 3.839 20 0 BHADRO CCC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437583745 201356977 /nfs/dbraw/zinc/35/69/77/201356977.db2.gz QFHLOLNJPKLXKY-JKSUJKDBSA-N 1 0 231.383 3.839 20 0 BHADRO CC[N@H+](CCCCCOc1ccccc1)C1CC1 ZINC000437583769 201357559 /nfs/dbraw/zinc/35/75/59/201357559.db2.gz QJQDKVUMQURPDB-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CC(C)[N@H+](Cc1ccc(Cl)cc1F)C1CC1 ZINC000437584317 201359488 /nfs/dbraw/zinc/35/94/88/201359488.db2.gz VPUZBRAXLSYKLW-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO C[C@H](C[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000437584526 201358900 /nfs/dbraw/zinc/35/89/00/201358900.db2.gz WUOSDYDGFGWJEJ-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@@H](C[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000437584527 201361062 /nfs/dbraw/zinc/36/10/62/201361062.db2.gz WUOSDYDGFGWJEJ-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@H](C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000437585205 201359415 /nfs/dbraw/zinc/35/94/15/201359415.db2.gz AWPPQGGURZSFOI-CYBMUJFWSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000437585207 201361322 /nfs/dbraw/zinc/36/13/22/201361322.db2.gz AWPPQGGURZSFOI-ZDUSSCGKSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000437585590 201359726 /nfs/dbraw/zinc/35/97/26/201359726.db2.gz BLNUQHKFRZBHQS-CHWSQXEVSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000437585591 201361091 /nfs/dbraw/zinc/36/10/91/201361091.db2.gz BLNUQHKFRZBHQS-OLZOCXBDSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000437585594 201360653 /nfs/dbraw/zinc/36/06/53/201360653.db2.gz BLNUQHKFRZBHQS-QWHCGFSZSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000437585598 201361005 /nfs/dbraw/zinc/36/10/05/201361005.db2.gz BLNUQHKFRZBHQS-STQMWFEESA-N 1 0 235.346 3.804 20 0 BHADRO CC(C)C[N@H+](C)CCCCCOc1ccccc1 ZINC000437587008 201359440 /nfs/dbraw/zinc/35/94/40/201359440.db2.gz FFGRYKWAQJONFM-UHFFFAOYSA-N 1 0 249.398 3.824 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000437587405 201359403 /nfs/dbraw/zinc/35/94/03/201359403.db2.gz FRLUOFXZWHKTHH-NEPJUHHUSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)C1CC1)c1ccc(F)cc1 ZINC000437587406 201355378 /nfs/dbraw/zinc/35/53/78/201355378.db2.gz FRLUOFXZWHKTHH-NWDGAFQWSA-N 1 0 235.346 3.660 20 0 BHADRO C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CCCC1 ZINC000437587407 201359905 /nfs/dbraw/zinc/35/99/05/201359905.db2.gz GEKQZYWIUKDHOF-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000437587408 201355472 /nfs/dbraw/zinc/35/54/72/201355472.db2.gz FRLUOFXZWHKTHH-RYUDHWBXSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C1CC1)[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437587409 201358254 /nfs/dbraw/zinc/35/82/54/201358254.db2.gz FRLUOFXZWHKTHH-VXGBXAGGSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437588984 201360882 /nfs/dbraw/zinc/36/08/82/201360882.db2.gz KLCZEYMXPKDUGA-CVEARBPZSA-N 1 0 231.383 3.837 20 0 BHADRO CC(C)[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437588985 201359308 /nfs/dbraw/zinc/35/93/08/201359308.db2.gz KLCZEYMXPKDUGA-HOTGVXAUSA-N 1 0 231.383 3.837 20 0 BHADRO CC(C)[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437588986 201359594 /nfs/dbraw/zinc/35/95/94/201359594.db2.gz KLCZEYMXPKDUGA-HZPDHXFCSA-N 1 0 231.383 3.837 20 0 BHADRO CC(C)[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437588987 201359839 /nfs/dbraw/zinc/35/98/39/201359839.db2.gz KLCZEYMXPKDUGA-JKSUJKDBSA-N 1 0 231.383 3.837 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437589141 201359582 /nfs/dbraw/zinc/35/95/82/201359582.db2.gz JLWSEXMDTYDBNG-JTQLQIEISA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437589144 201358987 /nfs/dbraw/zinc/35/89/87/201358987.db2.gz JLWSEXMDTYDBNG-SNVBAGLBSA-N 1 0 246.329 3.537 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1F)C(C)C ZINC000437589168 201360826 /nfs/dbraw/zinc/36/08/26/201360826.db2.gz JOOSZUZHBJUWHX-UHFFFAOYSA-N 1 0 229.726 3.709 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000437590337 201359237 /nfs/dbraw/zinc/35/92/37/201359237.db2.gz MASOGSHHODIXLA-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000437590339 201361267 /nfs/dbraw/zinc/36/12/67/201361267.db2.gz MASOGSHHODIXLA-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CCCC[N@H+](CC)Cc1cc2c(cccc2F)[nH]1 ZINC000437590375 201360314 /nfs/dbraw/zinc/36/03/14/201360314.db2.gz MQFLNJHKNUOYHR-UHFFFAOYSA-N 1 0 248.345 3.929 20 0 BHADRO C[N@H+](Cc1cc2c(cccc2F)[nH]1)CC(C)(C)C ZINC000437590396 201360420 /nfs/dbraw/zinc/36/04/20/201360420.db2.gz GZYGQOVWTYMNAQ-UHFFFAOYSA-N 1 0 248.345 3.785 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437590993 201360210 /nfs/dbraw/zinc/36/02/10/201360210.db2.gz IJXPUAMIAYZLQN-LLVKDONJSA-N 1 0 246.329 3.539 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437590994 201359999 /nfs/dbraw/zinc/35/99/99/201359999.db2.gz IJXPUAMIAYZLQN-NSHDSACASA-N 1 0 246.329 3.539 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437591018 201360309 /nfs/dbraw/zinc/36/03/09/201360309.db2.gz NVXUSQCNVCEIFJ-LLVKDONJSA-N 1 0 248.345 3.785 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437591019 201361367 /nfs/dbraw/zinc/36/13/67/201361367.db2.gz NVXUSQCNVCEIFJ-NSHDSACASA-N 1 0 248.345 3.785 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437591291 201360108 /nfs/dbraw/zinc/36/01/08/201360108.db2.gz OMADTXPECMHUQZ-DLBZAZTESA-N 1 0 243.394 3.839 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437591292 201361293 /nfs/dbraw/zinc/36/12/93/201361293.db2.gz OMADTXPECMHUQZ-IAGOWNOFSA-N 1 0 243.394 3.839 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437591293 201360611 /nfs/dbraw/zinc/36/06/11/201360611.db2.gz OMADTXPECMHUQZ-IRXDYDNUSA-N 1 0 243.394 3.839 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437591294 201359921 /nfs/dbraw/zinc/35/99/21/201359921.db2.gz OMADTXPECMHUQZ-SJORKVTESA-N 1 0 243.394 3.839 20 0 BHADRO CCCC[C@H](CC)CC[NH+]1CCC(OC)CC1 ZINC000437592391 537926702 /nfs/dbraw/zinc/92/67/02/537926702.db2.gz RLEOAKDXIUYGSY-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](CC)CC[NH+]1CCC(OC)CC1 ZINC000437592393 537925633 /nfs/dbraw/zinc/92/56/33/537925633.db2.gz RLEOAKDXIUYGSY-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000437592430 201361422 /nfs/dbraw/zinc/36/14/22/201361422.db2.gz LPNSHSDCSHFBRE-CHWSQXEVSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000437592432 201360255 /nfs/dbraw/zinc/36/02/55/201360255.db2.gz LPNSHSDCSHFBRE-OLZOCXBDSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000437592435 201359702 /nfs/dbraw/zinc/35/97/02/201359702.db2.gz LPNSHSDCSHFBRE-QWHCGFSZSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000437592438 201360531 /nfs/dbraw/zinc/36/05/31/201360531.db2.gz LPNSHSDCSHFBRE-STQMWFEESA-N 1 0 235.346 3.661 20 0 BHADRO CC[N@H+](CCCCCOc1ccccc1)C(C)C ZINC000437592509 201360097 /nfs/dbraw/zinc/36/00/97/201360097.db2.gz REOBUSUAAPEMIZ-UHFFFAOYSA-N 1 0 249.398 3.966 20 0 BHADRO CCC[N@H+](C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000437593476 201358921 /nfs/dbraw/zinc/35/89/21/201358921.db2.gz NXIUPUYTKYYZCR-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[N@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000437593478 201361141 /nfs/dbraw/zinc/36/11/41/201361141.db2.gz NXIUPUYTKYYZCR-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)C(C)C ZINC000437593891 201360669 /nfs/dbraw/zinc/36/06/69/201360669.db2.gz VBXWUZVQYIUDSN-UHFFFAOYSA-N 1 0 234.318 3.537 20 0 BHADRO CCC[N@H+](Cc1ccc(Cl)cc1F)C1CC1 ZINC000437594025 201356880 /nfs/dbraw/zinc/35/68/80/201356880.db2.gz PCMDRVNEJAOBQO-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO C[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC1CCC1 ZINC000437594542 201358916 /nfs/dbraw/zinc/35/89/16/201358916.db2.gz QLHIOJPSEVKURI-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCCC2)C1 ZINC000437594566 201357532 /nfs/dbraw/zinc/35/75/32/201357532.db2.gz WNDOCCASMMPUKO-CVEARBPZSA-N 1 0 229.367 3.593 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCCC2)C1 ZINC000437594568 201356551 /nfs/dbraw/zinc/35/65/51/201356551.db2.gz WNDOCCASMMPUKO-HOTGVXAUSA-N 1 0 229.367 3.593 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCCC2)C1 ZINC000437594571 201358701 /nfs/dbraw/zinc/35/87/01/201358701.db2.gz WNDOCCASMMPUKO-HZPDHXFCSA-N 1 0 229.367 3.593 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCCC2)C1 ZINC000437594574 201358456 /nfs/dbraw/zinc/35/84/56/201358456.db2.gz WNDOCCASMMPUKO-JKSUJKDBSA-N 1 0 229.367 3.593 20 0 BHADRO CC(C)C[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437594842 201361261 /nfs/dbraw/zinc/36/12/61/201361261.db2.gz XCJDJZIUEBWMPO-GFCCVEGCSA-N 1 0 223.335 3.517 20 0 BHADRO CC(C)C[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437594843 201360552 /nfs/dbraw/zinc/36/05/52/201360552.db2.gz XCJDJZIUEBWMPO-LBPRGKRZSA-N 1 0 223.335 3.517 20 0 BHADRO Cc1ccc2cc(C[N@@H+](C)CC(C)C)ccc2n1 ZINC000437595659 201361227 /nfs/dbraw/zinc/36/12/27/201361227.db2.gz ZHDFDDKIMOZVAV-UHFFFAOYSA-N 1 0 242.366 3.631 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437595688 201360982 /nfs/dbraw/zinc/36/09/82/201360982.db2.gz ZBSTWFYWLYTPGO-LLVKDONJSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437595689 201361310 /nfs/dbraw/zinc/36/13/10/201361310.db2.gz ZBSTWFYWLYTPGO-NSHDSACASA-N 1 0 246.329 3.681 20 0 BHADRO CC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437595797 201360874 /nfs/dbraw/zinc/36/08/74/201360874.db2.gz ZRDHJBDIOQQQQJ-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)cc1F)CC1CCC1 ZINC000437596471 201360911 /nfs/dbraw/zinc/36/09/11/201360911.db2.gz YILQNKKJZPUKDI-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000437596500 201360635 /nfs/dbraw/zinc/36/06/35/201360635.db2.gz YPOQLSPCDAPTLK-GFCCVEGCSA-N 1 0 223.335 3.660 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000437596501 201361302 /nfs/dbraw/zinc/36/13/02/201361302.db2.gz YPOQLSPCDAPTLK-LBPRGKRZSA-N 1 0 223.335 3.660 20 0 BHADRO C[C@H](C[N@H+](C)CC1CCC1)c1ccc(F)cc1 ZINC000437596573 201359226 /nfs/dbraw/zinc/35/92/26/201359226.db2.gz ZKWGYLHELUBKJC-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[N@H+](C)CC1CCC1)c1ccc(F)cc1 ZINC000437596574 201358911 /nfs/dbraw/zinc/35/89/11/201358911.db2.gz ZKWGYLHELUBKJC-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO CCC[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437596612 201359960 /nfs/dbraw/zinc/35/99/60/201359960.db2.gz ZUKJHLMNVBMQKM-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000437684300 201366485 /nfs/dbraw/zinc/36/64/85/201366485.db2.gz FPVYWSFSDNNFJF-GFCCVEGCSA-N 1 0 247.313 3.654 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000437684301 201366192 /nfs/dbraw/zinc/36/61/92/201366192.db2.gz FPVYWSFSDNNFJF-LBPRGKRZSA-N 1 0 247.313 3.654 20 0 BHADRO C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000437684987 201367954 /nfs/dbraw/zinc/36/79/54/201367954.db2.gz DTWCKRIKLWPIFS-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000437684988 201367381 /nfs/dbraw/zinc/36/73/81/201367381.db2.gz DTWCKRIKLWPIFS-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437686462 201368154 /nfs/dbraw/zinc/36/81/54/201368154.db2.gz MDAINHKRJAMTBB-GFCCVEGCSA-N 1 0 246.329 3.681 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437686465 201368337 /nfs/dbraw/zinc/36/83/37/201368337.db2.gz MDAINHKRJAMTBB-LBPRGKRZSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437690962 201367804 /nfs/dbraw/zinc/36/78/04/201367804.db2.gz XFIGCVVXBXSRAH-DJIMGWMZSA-N 1 0 243.394 3.839 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437690963 201368519 /nfs/dbraw/zinc/36/85/19/201368519.db2.gz XFIGCVVXBXSRAH-HYVNUMGLSA-N 1 0 243.394 3.839 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437690964 201368571 /nfs/dbraw/zinc/36/85/71/201368571.db2.gz XFIGCVVXBXSRAH-OIISXLGYSA-N 1 0 243.394 3.839 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437690965 201368624 /nfs/dbraw/zinc/36/86/24/201368624.db2.gz XFIGCVVXBXSRAH-PVAVHDDUSA-N 1 0 243.394 3.839 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000437694709 201368901 /nfs/dbraw/zinc/36/89/01/201368901.db2.gz URUINOLAKSVNNO-DOMZBBRYSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000437694710 201370390 /nfs/dbraw/zinc/37/03/90/201370390.db2.gz URUINOLAKSVNNO-IUODEOHRSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000437694715 201370005 /nfs/dbraw/zinc/37/00/05/201370005.db2.gz URUINOLAKSVNNO-SWLSCSKDSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000437694719 201369629 /nfs/dbraw/zinc/36/96/29/201369629.db2.gz URUINOLAKSVNNO-WFASDCNBSA-N 1 0 235.346 3.804 20 0 BHADRO CCCC[C@H](CC)CC[N@H+](C)Cc1cnccn1 ZINC000437700469 537929590 /nfs/dbraw/zinc/92/95/90/537929590.db2.gz KXHNKPTZFABOJN-AWEZNQCLSA-N 1 0 249.402 3.515 20 0 BHADRO CCCC[C@@H](CC)CC[N@H+](C)Cc1cnccn1 ZINC000437700470 537929488 /nfs/dbraw/zinc/92/94/88/537929488.db2.gz KXHNKPTZFABOJN-CQSZACIVSA-N 1 0 249.402 3.515 20 0 BHADRO C[C@H](C[N@@H+]1CCCC1(C)C)c1ccc(F)cc1 ZINC000437741935 206069770 /nfs/dbraw/zinc/06/97/70/206069770.db2.gz DTZKLWKOOGBPBN-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC1(C)C)c1ccc(F)cc1 ZINC000437741936 206071065 /nfs/dbraw/zinc/07/10/65/206071065.db2.gz DTZKLWKOOGBPBN-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437754408 206072233 /nfs/dbraw/zinc/07/22/33/206072233.db2.gz ZWTDUXIJJMYYOU-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO CC(C)(C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437764314 201371945 /nfs/dbraw/zinc/37/19/45/201371945.db2.gz LZAZGWDHRUQGBX-GDBMZVCRSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)(C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437764315 201372371 /nfs/dbraw/zinc/37/23/71/201372371.db2.gz LZAZGWDHRUQGBX-GOEBONIOSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)(C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437764316 201372449 /nfs/dbraw/zinc/37/24/49/201372449.db2.gz LZAZGWDHRUQGBX-HOCLYGCPSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)(C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437764317 201370810 /nfs/dbraw/zinc/37/08/10/201370810.db2.gz LZAZGWDHRUQGBX-ZBFHGGJFSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000437770422 201372413 /nfs/dbraw/zinc/37/24/13/201372413.db2.gz COQATIPOWZURAB-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000437770425 201372019 /nfs/dbraw/zinc/37/20/19/201372019.db2.gz COQATIPOWZURAB-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000437770427 201372770 /nfs/dbraw/zinc/37/27/70/201372770.db2.gz COQATIPOWZURAB-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000437770430 201372270 /nfs/dbraw/zinc/37/22/70/201372270.db2.gz COQATIPOWZURAB-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CC[NH2+]C1(C)Cc2ccccc2C1 ZINC000437792024 206072915 /nfs/dbraw/zinc/07/29/15/206072915.db2.gz IZGCVHKAZVJQFU-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO CC(C)C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCO1 ZINC000437795147 201373577 /nfs/dbraw/zinc/37/35/77/201373577.db2.gz FWHGLWWKFNPJHD-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCO1 ZINC000437795148 201373946 /nfs/dbraw/zinc/37/39/46/201373946.db2.gz FWHGLWWKFNPJHD-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCO1 ZINC000437795149 201374644 /nfs/dbraw/zinc/37/46/44/201374644.db2.gz FWHGLWWKFNPJHD-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCO1 ZINC000437795150 201373831 /nfs/dbraw/zinc/37/38/31/201373831.db2.gz FWHGLWWKFNPJHD-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO COc1cc(C)cc(C[NH2+]CCC(C)(C)C)c1 ZINC000437797222 201374639 /nfs/dbraw/zinc/37/46/39/201374639.db2.gz SLXGSZSMUZKPPR-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC1([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000437799207 201374223 /nfs/dbraw/zinc/37/42/23/201374223.db2.gz VWHLZXBFLMYLJG-CVEARBPZSA-N 1 0 243.394 3.930 20 0 BHADRO CC1([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000437799208 201374872 /nfs/dbraw/zinc/37/48/72/201374872.db2.gz VWHLZXBFLMYLJG-HOTGVXAUSA-N 1 0 243.394 3.930 20 0 BHADRO CC1([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000437799209 201375060 /nfs/dbraw/zinc/37/50/60/201375060.db2.gz VWHLZXBFLMYLJG-HZPDHXFCSA-N 1 0 243.394 3.930 20 0 BHADRO CC1([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000437799210 201373538 /nfs/dbraw/zinc/37/35/38/201373538.db2.gz VWHLZXBFLMYLJG-JKSUJKDBSA-N 1 0 243.394 3.930 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1cccc(C)n1 ZINC000437892221 201379064 /nfs/dbraw/zinc/37/90/64/201379064.db2.gz WGXBNUSTDFFUCB-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO C[C@H](C[N@@H+]1CCCC2(CC2)C1)c1ccc(F)cc1 ZINC000437952373 206072869 /nfs/dbraw/zinc/07/28/69/206072869.db2.gz YLAFPDXDOJQLKM-CYBMUJFWSA-N 1 0 247.357 3.805 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC2(CC2)C1)c1ccc(F)cc1 ZINC000437952375 206073381 /nfs/dbraw/zinc/07/33/81/206073381.db2.gz YLAFPDXDOJQLKM-ZDUSSCGKSA-N 1 0 247.357 3.805 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)cc1F)CC1CC1 ZINC000437960841 206073766 /nfs/dbraw/zinc/07/37/66/206073766.db2.gz GMICGFBRMIWUPD-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC1CC1 ZINC000437963314 201381476 /nfs/dbraw/zinc/38/14/76/201381476.db2.gz LYKGSFXTOOCBEO-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO CC(C)(CF)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437963812 201379875 /nfs/dbraw/zinc/37/98/75/201379875.db2.gz PRRVKYXIRJYCTN-GDBMZVCRSA-N 1 0 249.373 3.835 20 0 BHADRO CC(C)(CF)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437963813 201379859 /nfs/dbraw/zinc/37/98/59/201379859.db2.gz PRRVKYXIRJYCTN-GOEBONIOSA-N 1 0 249.373 3.835 20 0 BHADRO CC(C)(CF)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437963814 201381322 /nfs/dbraw/zinc/38/13/22/201381322.db2.gz PRRVKYXIRJYCTN-HOCLYGCPSA-N 1 0 249.373 3.835 20 0 BHADRO CC(C)(CF)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437963815 201380739 /nfs/dbraw/zinc/38/07/39/201380739.db2.gz PRRVKYXIRJYCTN-ZBFHGGJFSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000437965427 201380421 /nfs/dbraw/zinc/38/04/21/201380421.db2.gz SVYUWABGLNXLTC-INWMFGNUSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000437965429 201379710 /nfs/dbraw/zinc/37/97/10/201379710.db2.gz SVYUWABGLNXLTC-IVMMDQJWSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000437965431 201381460 /nfs/dbraw/zinc/38/14/60/201381460.db2.gz SVYUWABGLNXLTC-XNRPHZJLSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000437965432 201381572 /nfs/dbraw/zinc/38/15/72/201381572.db2.gz SVYUWABGLNXLTC-XPKDYRNWSA-N 1 0 247.357 3.804 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(F)cc1)CC1CC1 ZINC000437965966 201381500 /nfs/dbraw/zinc/38/15/00/201381500.db2.gz VBEXLMNLGIMCBR-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(F)cc1)CC1CC1 ZINC000437965968 201380191 /nfs/dbraw/zinc/38/01/91/201380191.db2.gz VBEXLMNLGIMCBR-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO CC(C)(C)CC[NH2+]C1(Cc2ccccc2)CC1 ZINC000437975782 201381081 /nfs/dbraw/zinc/38/10/81/201381081.db2.gz ZXUFLSNHCDAMCP-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO COC1CCC(CC[NH2+]CCC(C)(C)C)CC1 ZINC000437977825 206073700 /nfs/dbraw/zinc/07/37/00/206073700.db2.gz NDZQKXLFYRVUCF-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](C[NH2+]C1(C)CCCC1)c1ccc(F)cc1 ZINC000438066808 201385472 /nfs/dbraw/zinc/38/54/72/201385472.db2.gz RORGXRZXGGRHEJ-GFCCVEGCSA-N 1 0 235.346 3.852 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CCCC1)c1ccc(F)cc1 ZINC000438066809 201386043 /nfs/dbraw/zinc/38/60/43/201386043.db2.gz RORGXRZXGGRHEJ-LBPRGKRZSA-N 1 0 235.346 3.852 20 0 BHADRO CC1([NH2+]CCCCOc2ccccc2)CCCC1 ZINC000438068091 201385435 /nfs/dbraw/zinc/38/54/35/201385435.db2.gz XORLRMDDDOZAKV-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CC(C)CC[NH2+]CCCCCOc1ccccc1 ZINC000438069479 201386161 /nfs/dbraw/zinc/38/61/61/201386161.db2.gz FPLUJIRFXAWUDE-UHFFFAOYSA-N 1 0 249.398 3.871 20 0 BHADRO CCC(CC)n1ccc(C[N@@H+]2CCCC2(C)C)n1 ZINC000438072254 201385456 /nfs/dbraw/zinc/38/54/56/201385456.db2.gz LQXABEFSTOEZFP-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)(C)CC[NH2+]CCCCOc1ccccc1 ZINC000438075628 201385244 /nfs/dbraw/zinc/38/52/44/201385244.db2.gz PAHJKOZXUNYBCN-UHFFFAOYSA-N 1 0 249.398 3.871 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438077061 201386476 /nfs/dbraw/zinc/38/64/76/201386476.db2.gz GBZKTTVIAJJOCV-JHNDHUHGSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438077062 201386142 /nfs/dbraw/zinc/38/61/42/201386142.db2.gz GBZKTTVIAJJOCV-MUIFIZLQSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438077063 201386356 /nfs/dbraw/zinc/38/63/56/201386356.db2.gz GBZKTTVIAJJOCV-SRABZTEZSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438077064 201386011 /nfs/dbraw/zinc/38/60/11/201386011.db2.gz GBZKTTVIAJJOCV-TXCZRRACSA-N 1 0 243.394 3.742 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438077935 201385971 /nfs/dbraw/zinc/38/59/71/201385971.db2.gz UXFBNTQNSPUNKM-CVEARBPZSA-N 1 0 231.383 3.887 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438077938 201386496 /nfs/dbraw/zinc/38/64/96/201386496.db2.gz UXFBNTQNSPUNKM-HOTGVXAUSA-N 1 0 231.383 3.887 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438077939 201386414 /nfs/dbraw/zinc/38/64/14/201386414.db2.gz UXFBNTQNSPUNKM-HZPDHXFCSA-N 1 0 231.383 3.887 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438077942 201386394 /nfs/dbraw/zinc/38/63/94/201386394.db2.gz UXFBNTQNSPUNKM-JKSUJKDBSA-N 1 0 231.383 3.887 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438079871 201386021 /nfs/dbraw/zinc/38/60/21/201386021.db2.gz PVQWIYPVISHKJP-CVEARBPZSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438079872 201385177 /nfs/dbraw/zinc/38/51/77/201385177.db2.gz PVQWIYPVISHKJP-HOTGVXAUSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438079873 201385107 /nfs/dbraw/zinc/38/51/07/201385107.db2.gz PVQWIYPVISHKJP-HZPDHXFCSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438079874 201384985 /nfs/dbraw/zinc/38/49/85/201384985.db2.gz PVQWIYPVISHKJP-JKSUJKDBSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1ccc(NCCC(C)(C)C)c(C[NH+](C)C)c1 ZINC000438080590 201385127 /nfs/dbraw/zinc/38/51/27/201385127.db2.gz XSLMCDUYCKCZQL-UHFFFAOYSA-N 1 0 248.414 3.905 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000438081072 201386188 /nfs/dbraw/zinc/38/61/88/201386188.db2.gz PPRVBNOEZGREFY-DZGCQCFKSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@H]1CC[C@H]1C ZINC000438081073 201386242 /nfs/dbraw/zinc/38/62/42/201386242.db2.gz PPRVBNOEZGREFY-HIFRSBDPSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000438081074 201384886 /nfs/dbraw/zinc/38/48/86/201384886.db2.gz PPRVBNOEZGREFY-UKRRQHHQSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000438081075 201386153 /nfs/dbraw/zinc/38/61/53/201386153.db2.gz PPRVBNOEZGREFY-ZFWWWQNUSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438081164 201386448 /nfs/dbraw/zinc/38/64/48/201386448.db2.gz RAKRSXWNZFJJBO-BPUTZDHNSA-N 1 0 231.383 3.885 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438081165 201386534 /nfs/dbraw/zinc/38/65/34/201386534.db2.gz RAKRSXWNZFJJBO-CWRNSKLLSA-N 1 0 231.383 3.885 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438081166 201385338 /nfs/dbraw/zinc/38/53/38/201385338.db2.gz RAKRSXWNZFJJBO-IMJJTQAJSA-N 1 0 231.383 3.885 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438081167 201386119 /nfs/dbraw/zinc/38/61/19/201386119.db2.gz RAKRSXWNZFJJBO-NUEKZKHPSA-N 1 0 231.383 3.885 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1NCCC(C)(C)C ZINC000438082186 201386086 /nfs/dbraw/zinc/38/60/86/201386086.db2.gz SNDASQZJSSQPDX-UHFFFAOYSA-N 1 0 248.414 3.905 20 0 BHADRO CCOCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000438084350 201385539 /nfs/dbraw/zinc/38/55/39/201385539.db2.gz YITSQZWOKQBYFU-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO C[NH+](C)CCc1ccc(NCCC(C)(C)C)cc1 ZINC000438086326 201385419 /nfs/dbraw/zinc/38/54/19/201385419.db2.gz SVFMDTDQMIJREK-UHFFFAOYSA-N 1 0 248.414 3.639 20 0 BHADRO COc1ccc(CCC[NH2+]CCC(C)(C)C)cc1 ZINC000438088029 201388091 /nfs/dbraw/zinc/38/80/91/201388091.db2.gz HVIXKQMHEFLHNG-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(CC)n1ccc(C[N@H+](CC)C2CCC2)n1 ZINC000438088433 201388069 /nfs/dbraw/zinc/38/80/69/201388069.db2.gz JVMXNMQPAUXCKW-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438089634 201388849 /nfs/dbraw/zinc/38/88/49/201388849.db2.gz QTXXJRPFTGOKGG-HNNXBMFYSA-N 1 0 246.329 3.537 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438089635 201387342 /nfs/dbraw/zinc/38/73/42/201387342.db2.gz QTXXJRPFTGOKGG-OAHLLOKOSA-N 1 0 246.329 3.537 20 0 BHADRO CC1(C)CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438090302 386442933 /nfs/dbraw/zinc/44/29/33/386442933.db2.gz AAQFDPCOFYDRHR-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO C[C@H](C[N@@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC000438090331 201387428 /nfs/dbraw/zinc/38/74/28/201387428.db2.gz AJMWZXBRQGHXID-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[N@@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC000438090332 201387255 /nfs/dbraw/zinc/38/72/55/201387255.db2.gz AJMWZXBRQGHXID-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1CCCCOc1ccccc1 ZINC000438090737 201387194 /nfs/dbraw/zinc/38/71/94/201387194.db2.gz VSYUXCAAURTTMY-INIZCTEOSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1CCCCOc1ccccc1 ZINC000438090738 201386856 /nfs/dbraw/zinc/38/68/56/201386856.db2.gz VSYUXCAAURTTMY-MRXNPFEDSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000438090888 201388051 /nfs/dbraw/zinc/38/80/51/201388051.db2.gz WNGQZDGPQPQFEK-DOMZBBRYSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000438090934 201386830 /nfs/dbraw/zinc/38/68/30/201386830.db2.gz WNGQZDGPQPQFEK-IUODEOHRSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000438090935 201388744 /nfs/dbraw/zinc/38/87/44/201388744.db2.gz WNGQZDGPQPQFEK-SWLSCSKDSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000438090936 201388514 /nfs/dbraw/zinc/38/85/14/201388514.db2.gz WNGQZDGPQPQFEK-WFASDCNBSA-N 1 0 235.346 3.660 20 0 BHADRO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CCC1 ZINC000438092335 201386748 /nfs/dbraw/zinc/38/67/48/201386748.db2.gz AGTCTIWFKBYASZ-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@H](C[N@@H+]1CCC2(CCC2)C1)c1ccc(F)cc1 ZINC000438092904 201387017 /nfs/dbraw/zinc/38/70/17/201387017.db2.gz BUTATBKBTZKMAG-CYBMUJFWSA-N 1 0 247.357 3.805 20 0 BHADRO C[C@@H](C[N@@H+]1CCC2(CCC2)C1)c1ccc(F)cc1 ZINC000438092905 201388825 /nfs/dbraw/zinc/38/88/25/201388825.db2.gz BUTATBKBTZKMAG-ZDUSSCGKSA-N 1 0 247.357 3.805 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438094110 201387306 /nfs/dbraw/zinc/38/73/06/201387306.db2.gz DUWZCQXNJGEYTI-GHMZBOCLSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438094112 201388978 /nfs/dbraw/zinc/38/89/78/201388978.db2.gz DUWZCQXNJGEYTI-PHIMTYICSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438094114 201386959 /nfs/dbraw/zinc/38/69/59/201386959.db2.gz DUWZCQXNJGEYTI-QWRGUYRKSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@H](C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000438096251 201387540 /nfs/dbraw/zinc/38/75/40/201387540.db2.gz IVVLIAQLFBOHJC-AGIUHOORSA-N 1 0 235.346 3.802 20 0 BHADRO C[C@H](C[NH+]1[C@H](C)CC[C@H]1C)c1ccc(F)cc1 ZINC000438096253 201387476 /nfs/dbraw/zinc/38/74/76/201387476.db2.gz IVVLIAQLFBOHJC-JHJVBQTASA-N 1 0 235.346 3.802 20 0 BHADRO C[C@@H](C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000438096257 201388795 /nfs/dbraw/zinc/38/87/95/201388795.db2.gz IVVLIAQLFBOHJC-RWMBFGLXSA-N 1 0 235.346 3.802 20 0 BHADRO C[C@H](C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000438096261 201387578 /nfs/dbraw/zinc/38/75/78/201387578.db2.gz IVVLIAQLFBOHJC-UPJWGTAASA-N 1 0 235.346 3.802 20 0 BHADRO C[N@H+](C1CCC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438098325 201387092 /nfs/dbraw/zinc/38/70/92/201387092.db2.gz SGNOZISMXVJSCY-DLBZAZTESA-N 1 0 243.394 3.981 20 0 BHADRO C[N@H+](C1CCC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438098326 201386901 /nfs/dbraw/zinc/38/69/01/201386901.db2.gz SGNOZISMXVJSCY-IAGOWNOFSA-N 1 0 243.394 3.981 20 0 BHADRO C[N@H+](C1CCC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438098327 201388456 /nfs/dbraw/zinc/38/84/56/201388456.db2.gz SGNOZISMXVJSCY-IRXDYDNUSA-N 1 0 243.394 3.981 20 0 BHADRO C[N@H+](C1CCC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438098328 201388095 /nfs/dbraw/zinc/38/80/95/201388095.db2.gz SGNOZISMXVJSCY-SJORKVTESA-N 1 0 243.394 3.981 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C2CC2)C1)c1ccc(F)cc1 ZINC000438099769 201389363 /nfs/dbraw/zinc/38/93/63/201389363.db2.gz WPNCOHMECRQEED-DOMZBBRYSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C2CC2)C1)c1ccc(F)cc1 ZINC000438099770 201390422 /nfs/dbraw/zinc/39/04/22/201390422.db2.gz WPNCOHMECRQEED-IUODEOHRSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C2CC2)C1)c1ccc(F)cc1 ZINC000438099771 386456532 /nfs/dbraw/zinc/45/65/32/386456532.db2.gz WPNCOHMECRQEED-SWLSCSKDSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C2CC2)C1)c1ccc(F)cc1 ZINC000438099772 386456614 /nfs/dbraw/zinc/45/66/14/386456614.db2.gz WPNCOHMECRQEED-WFASDCNBSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H](C[N@@H+]1CCC12CCC2)c1ccc(F)cc1 ZINC000438101697 201389887 /nfs/dbraw/zinc/38/98/87/201389887.db2.gz PENAUNUVTSIESH-GFCCVEGCSA-N 1 0 233.330 3.558 20 0 BHADRO C[C@@H](C[N@@H+]1CCC12CCC2)c1ccc(F)cc1 ZINC000438101699 201391358 /nfs/dbraw/zinc/39/13/58/201391358.db2.gz PENAUNUVTSIESH-LBPRGKRZSA-N 1 0 233.330 3.558 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000438102196 201386797 /nfs/dbraw/zinc/38/67/97/201386797.db2.gz HQUQISPVBFXZRN-AGIUHOORSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H]1C)c1ccc(F)cc1 ZINC000438102197 201388914 /nfs/dbraw/zinc/38/89/14/201388914.db2.gz HQUQISPVBFXZRN-FRRDWIJNSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)C[C@H]1C)c1ccc(F)cc1 ZINC000438102198 201388805 /nfs/dbraw/zinc/38/88/05/201388805.db2.gz HQUQISPVBFXZRN-JHJVBQTASA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000438102199 201386756 /nfs/dbraw/zinc/38/67/56/201386756.db2.gz HQUQISPVBFXZRN-UPJWGTAASA-N 1 0 235.346 3.660 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1F)C1CCC1 ZINC000438103268 201390728 /nfs/dbraw/zinc/39/07/28/201390728.db2.gz TUPNALKLGRHPMU-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(F)cc1)C1CCC1 ZINC000438103742 201387055 /nfs/dbraw/zinc/38/70/55/201387055.db2.gz VJWYBZCSOYFAJZ-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(F)cc1)C1CCC1 ZINC000438103743 201388047 /nfs/dbraw/zinc/38/80/47/201388047.db2.gz VJWYBZCSOYFAJZ-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)[C@@H]1C ZINC000438103942 201389630 /nfs/dbraw/zinc/38/96/30/201389630.db2.gz ZOQMBKXWESRKBO-GHMZBOCLSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438103944 201389914 /nfs/dbraw/zinc/38/99/14/201389914.db2.gz ZOQMBKXWESRKBO-MNOVXSKESA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438103946 201389924 /nfs/dbraw/zinc/38/99/24/201389924.db2.gz ZOQMBKXWESRKBO-QWRGUYRKSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438103948 351725166 /nfs/dbraw/zinc/72/51/66/351725166.db2.gz ZOQMBKXWESRKBO-WDEREUQCSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000438103953 201389984 /nfs/dbraw/zinc/38/99/84/201389984.db2.gz ZPBYABIFTYNUJS-JHJVBQTASA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000438103955 201389308 /nfs/dbraw/zinc/38/93/08/201389308.db2.gz ZPBYABIFTYNUJS-UPJWGTAASA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000438103957 201389907 /nfs/dbraw/zinc/38/99/07/201389907.db2.gz ZPBYABIFTYNUJS-XQQFMLRXSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000438103959 201391402 /nfs/dbraw/zinc/39/14/02/201391402.db2.gz ZPBYABIFTYNUJS-YNEHKIRRSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438106569 201389940 /nfs/dbraw/zinc/38/99/40/201389940.db2.gz SIWIIWMJXZTMTR-FRRDWIJNSA-N 1 0 235.346 3.517 20 0 BHADRO C[C@H](C[NH+]1C[C@@H](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438106571 201391242 /nfs/dbraw/zinc/39/12/42/201391242.db2.gz SIWIIWMJXZTMTR-JHJVBQTASA-N 1 0 235.346 3.517 20 0 BHADRO C[C@H](C[NH+]1C[C@H](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438106573 201391119 /nfs/dbraw/zinc/39/11/19/201391119.db2.gz SIWIIWMJXZTMTR-RWMBFGLXSA-N 1 0 235.346 3.517 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438106576 201390287 /nfs/dbraw/zinc/39/02/87/201390287.db2.gz SIWIIWMJXZTMTR-XQQFMLRXSA-N 1 0 235.346 3.517 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438110223 201389496 /nfs/dbraw/zinc/38/94/96/201389496.db2.gz SGYOWELDAFIXPU-LLVKDONJSA-N 1 0 246.329 3.539 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438110224 201390128 /nfs/dbraw/zinc/39/01/28/201390128.db2.gz SGYOWELDAFIXPU-NSHDSACASA-N 1 0 246.329 3.539 20 0 BHADRO CC[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000438110617 201391174 /nfs/dbraw/zinc/39/11/74/201391174.db2.gz VHEISKMCVZXQMZ-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000438110618 201391256 /nfs/dbraw/zinc/39/12/56/201391256.db2.gz VHEISKMCVZXQMZ-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438110769 201390645 /nfs/dbraw/zinc/39/06/45/201390645.db2.gz VQSMZVXODMOOSG-CHWSQXEVSA-N 1 0 235.346 3.661 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438110770 201390843 /nfs/dbraw/zinc/39/08/43/201390843.db2.gz VQSMZVXODMOOSG-OLZOCXBDSA-N 1 0 235.346 3.661 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438110771 201391014 /nfs/dbraw/zinc/39/10/14/201391014.db2.gz VQSMZVXODMOOSG-QWHCGFSZSA-N 1 0 235.346 3.661 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438110772 201392487 /nfs/dbraw/zinc/39/24/87/201392487.db2.gz VQSMZVXODMOOSG-STQMWFEESA-N 1 0 235.346 3.661 20 0 BHADRO CCCC[C@@H](CC)CC[N@@H+]1CC[C@H](COC)C1 ZINC000438113071 537937804 /nfs/dbraw/zinc/93/78/04/537937804.db2.gz APACEAKVBGKWCE-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)CC[N@@H+]1CC[C@H](COC)C1 ZINC000438113072 537937903 /nfs/dbraw/zinc/93/79/03/537937903.db2.gz APACEAKVBGKWCE-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)CC[N@@H+]1CC[C@@H](COC)C1 ZINC000438113073 537936436 /nfs/dbraw/zinc/93/64/36/537936436.db2.gz APACEAKVBGKWCE-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](COC)C1 ZINC000438113074 537937958 /nfs/dbraw/zinc/93/79/58/537937958.db2.gz APACEAKVBGKWCE-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000438114757 201391707 /nfs/dbraw/zinc/39/17/07/201391707.db2.gz BBLMCSBDIWWKAI-AEGPPILISA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H](C[NH+]1C[C@H]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000438114760 201393274 /nfs/dbraw/zinc/39/32/74/201393274.db2.gz BBLMCSBDIWWKAI-BPLDGKMQSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000438114763 201392094 /nfs/dbraw/zinc/39/20/94/201392094.db2.gz BBLMCSBDIWWKAI-SNPRPXQTSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000438114766 201393156 /nfs/dbraw/zinc/39/31/56/201393156.db2.gz BBLMCSBDIWWKAI-YUELXQCFSA-N 1 0 247.357 3.661 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc2c(cccc2F)[nH]1 ZINC000438117646 201392531 /nfs/dbraw/zinc/39/25/31/201392531.db2.gz FPHZNUUXXKAXTF-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)CCC1CC1 ZINC000438118249 201393648 /nfs/dbraw/zinc/39/36/48/201393648.db2.gz HHFJRNVJDZXULZ-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCCCCOc1ccccc1 ZINC000438118698 201392374 /nfs/dbraw/zinc/39/23/74/201392374.db2.gz IOMGHFQRWAYTRN-HNNXBMFYSA-N 1 0 247.382 3.720 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCCCCOc1ccccc1 ZINC000438119075 201392727 /nfs/dbraw/zinc/39/27/27/201392727.db2.gz IOMGHFQRWAYTRN-OAHLLOKOSA-N 1 0 247.382 3.720 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438119104 201392064 /nfs/dbraw/zinc/39/20/64/201392064.db2.gz ISLQDUGAKPWDKQ-DJIMGWMZSA-N 1 0 243.394 3.981 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438119106 201392937 /nfs/dbraw/zinc/39/29/37/201392937.db2.gz ISLQDUGAKPWDKQ-HYVNUMGLSA-N 1 0 243.394 3.981 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438119108 201393331 /nfs/dbraw/zinc/39/33/31/201393331.db2.gz ISLQDUGAKPWDKQ-OIISXLGYSA-N 1 0 243.394 3.981 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438119110 386479931 /nfs/dbraw/zinc/47/99/31/386479931.db2.gz ISLQDUGAKPWDKQ-PVAVHDDUSA-N 1 0 243.394 3.981 20 0 BHADRO CCC(CC)[N@H+](CC[C@H]1CCOC1)CC(C)C ZINC000438119427 201392196 /nfs/dbraw/zinc/39/21/96/201392196.db2.gz PIIHXLZZSGNCCY-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)[N@H+](CC[C@@H]1CCOC1)CC(C)C ZINC000438119428 201393238 /nfs/dbraw/zinc/39/32/38/201393238.db2.gz PIIHXLZZSGNCCY-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](C[N@H+](C)CCC1CC1)c1ccc(F)cc1 ZINC000438121279 201392969 /nfs/dbraw/zinc/39/29/69/201392969.db2.gz NJGITMYWSXMASR-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H](C[N@H+](C)CCC1CC1)c1ccc(F)cc1 ZINC000438121280 201391978 /nfs/dbraw/zinc/39/19/78/201391978.db2.gz NJGITMYWSXMASR-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO CCCC[C@@H](CC)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000438126991 537936860 /nfs/dbraw/zinc/93/68/60/537936860.db2.gz ZRMXZJVSGPKLSH-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000438126993 537936746 /nfs/dbraw/zinc/93/67/46/537936746.db2.gz ZRMXZJVSGPKLSH-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)CC[N@H+](C)C[C@H]1CCOC1 ZINC000438126994 537936690 /nfs/dbraw/zinc/93/66/90/537936690.db2.gz ZRMXZJVSGPKLSH-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)CC[N@H+](C)C[C@H]1CCOC1 ZINC000438126996 537938052 /nfs/dbraw/zinc/93/80/52/537938052.db2.gz ZRMXZJVSGPKLSH-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO CC1=CC[N@H+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438130827 201394873 /nfs/dbraw/zinc/39/48/73/201394873.db2.gz VUDRKZOSFIYRLH-CYBMUJFWSA-N 1 0 233.330 3.581 20 0 BHADRO CC1=CC[N@H+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000438130829 201395330 /nfs/dbraw/zinc/39/53/30/201395330.db2.gz VUDRKZOSFIYRLH-ZDUSSCGKSA-N 1 0 233.330 3.581 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]CCCCOc1ccccc1 ZINC000438167872 201396499 /nfs/dbraw/zinc/39/64/99/201396499.db2.gz AFQCXXVKAAFQMQ-HNNXBMFYSA-N 1 0 249.398 3.727 20 0 BHADRO CC(C)[C@H](C)C[NH2+]CCCCOc1ccccc1 ZINC000438167873 201394651 /nfs/dbraw/zinc/39/46/51/201394651.db2.gz AFQCXXVKAAFQMQ-OAHLLOKOSA-N 1 0 249.398 3.727 20 0 BHADRO CCC1([NH2+]CCCCOc2ccccc2)CCC1 ZINC000438173043 201396125 /nfs/dbraw/zinc/39/61/25/201396125.db2.gz BGWIRCNHXPIXKL-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO c1ccc(OCCCC[NH2+][C@H]2C=CCCC2)cc1 ZINC000438173129 201396068 /nfs/dbraw/zinc/39/60/68/201396068.db2.gz BNNJEYRWCFSUOR-HNNXBMFYSA-N 1 0 245.366 3.544 20 0 BHADRO c1ccc(OCCCC[NH2+][C@@H]2C=CCCC2)cc1 ZINC000438173130 201397026 /nfs/dbraw/zinc/39/70/26/201397026.db2.gz BNNJEYRWCFSUOR-OAHLLOKOSA-N 1 0 245.366 3.544 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]CC[C@H]1CCOC1 ZINC000438176149 201396075 /nfs/dbraw/zinc/39/60/75/201396075.db2.gz IQXLTFKDCMCJLM-CABCVRRESA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]CC[C@H]1CCOC1 ZINC000438176150 201396259 /nfs/dbraw/zinc/39/62/59/201396259.db2.gz IQXLTFKDCMCJLM-GJZGRUSLSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]CC[C@@H]1CCOC1 ZINC000438176151 201397016 /nfs/dbraw/zinc/39/70/16/201397016.db2.gz IQXLTFKDCMCJLM-HUUCEWRRSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]CC[C@@H]1CCOC1 ZINC000438176152 201396651 /nfs/dbraw/zinc/39/66/51/201396651.db2.gz IQXLTFKDCMCJLM-LSDHHAIUSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000438177356 201396058 /nfs/dbraw/zinc/39/60/58/201396058.db2.gz KQGDBYXDRLDYCD-GFCCVEGCSA-N 1 0 237.387 3.935 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000438177358 201396818 /nfs/dbraw/zinc/39/68/18/201396818.db2.gz KQGDBYXDRLDYCD-LBPRGKRZSA-N 1 0 237.387 3.935 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438177760 201396933 /nfs/dbraw/zinc/39/69/33/201396933.db2.gz NOOSGFRAXXYPAV-AGZZZRPFSA-N 1 0 243.394 3.885 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438177762 201396515 /nfs/dbraw/zinc/39/65/15/201396515.db2.gz NOOSGFRAXXYPAV-INXRADFVSA-N 1 0 243.394 3.885 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438177763 201397425 /nfs/dbraw/zinc/39/74/25/201397425.db2.gz NOOSGFRAXXYPAV-LRSKPHEKSA-N 1 0 243.394 3.885 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438177765 201397035 /nfs/dbraw/zinc/39/70/35/201397035.db2.gz NOOSGFRAXXYPAV-PZJKJEQHSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000438178867 201397512 /nfs/dbraw/zinc/39/75/12/201397512.db2.gz QILVGKLEIYYUJN-BZUAXINKSA-N 1 0 243.394 3.598 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000438178869 201397099 /nfs/dbraw/zinc/39/70/99/201397099.db2.gz QILVGKLEIYYUJN-XHSDSOJGSA-N 1 0 243.394 3.598 20 0 BHADRO COc1cc(CC[NH2+]CCC(C)(C)C)ccc1C ZINC000438179167 201397244 /nfs/dbraw/zinc/39/72/44/201397244.db2.gz AGSSJSWMHFGEOP-UHFFFAOYSA-N 1 0 249.398 3.572 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1cc(F)ccc1F ZINC000438179385 201396993 /nfs/dbraw/zinc/39/69/93/201396993.db2.gz PVTQAUAJBHFVQP-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO C[C@H](C[NH2+][C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000438180004 201396982 /nfs/dbraw/zinc/39/69/82/201396982.db2.gz OXKRCXYOIRAYAD-DOMZBBRYSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000438180005 201396192 /nfs/dbraw/zinc/39/61/92/201396192.db2.gz OXKRCXYOIRAYAD-IUODEOHRSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000438180006 201396907 /nfs/dbraw/zinc/39/69/07/201396907.db2.gz OXKRCXYOIRAYAD-SWLSCSKDSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000438180007 201396761 /nfs/dbraw/zinc/39/67/61/201396761.db2.gz OXKRCXYOIRAYAD-WFASDCNBSA-N 1 0 233.330 3.628 20 0 BHADRO CCC1([NH2+]C[C@@H](C)c2ccc(F)cc2)CCC1 ZINC000438180510 201397449 /nfs/dbraw/zinc/39/74/49/201397449.db2.gz POUNTGCQSZUWKV-GFCCVEGCSA-N 1 0 235.346 3.852 20 0 BHADRO CCC1([NH2+]C[C@H](C)c2ccc(F)cc2)CCC1 ZINC000438180511 201396991 /nfs/dbraw/zinc/39/69/91/201396991.db2.gz POUNTGCQSZUWKV-LBPRGKRZSA-N 1 0 235.346 3.852 20 0 BHADRO COc1cccc(C[C@@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000438181330 201396740 /nfs/dbraw/zinc/39/67/40/201396740.db2.gz RGSKLINVWNVIBJ-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO COc1cccc(C[C@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000438181331 201396946 /nfs/dbraw/zinc/39/69/46/201396946.db2.gz RGSKLINVWNVIBJ-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1cccc(F)c1F ZINC000438182801 201397377 /nfs/dbraw/zinc/39/73/77/201397377.db2.gz YCVYJQAXHXGIDP-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CC1(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000438184730 201397430 /nfs/dbraw/zinc/39/74/30/201397430.db2.gz BLBQXRZLTXTHTE-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO CCC1(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438187323 201396127 /nfs/dbraw/zinc/39/61/27/201396127.db2.gz HQMWHTPANIYWBI-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO COc1cccc(CCC[NH2+]CCC(C)(C)C)c1 ZINC000438190383 201396578 /nfs/dbraw/zinc/39/65/78/201396578.db2.gz MPMQRCSMPAPXLA-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000438190488 201396001 /nfs/dbraw/zinc/39/60/01/201396001.db2.gz NCTBSKUQFYDKOZ-CFVMTHIKSA-N 1 0 249.423 3.664 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000438190490 201396833 /nfs/dbraw/zinc/39/68/33/201396833.db2.gz NCTBSKUQFYDKOZ-NWANDNLSSA-N 1 0 249.423 3.664 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000438190646 201396172 /nfs/dbraw/zinc/39/61/72/201396172.db2.gz OPYFRGCQPNAIFI-CABCVRRESA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000438190647 201397282 /nfs/dbraw/zinc/39/72/82/201397282.db2.gz OPYFRGCQPNAIFI-GJZGRUSLSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000438190649 201397116 /nfs/dbraw/zinc/39/71/16/201397116.db2.gz OPYFRGCQPNAIFI-HUUCEWRRSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000438190650 201396023 /nfs/dbraw/zinc/39/60/23/201396023.db2.gz OPYFRGCQPNAIFI-LSDHHAIUSA-N 1 0 231.383 3.643 20 0 BHADRO COc1cc(C)ccc1C[NH2+]CCC(C)(C)C ZINC000438191414 201396063 /nfs/dbraw/zinc/39/60/63/201396063.db2.gz QBCXJQCDAHNCOU-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCC2CC2)C1 ZINC000438191446 537936407 /nfs/dbraw/zinc/93/64/07/537936407.db2.gz QJSUOMFAOARWBU-DLBZAZTESA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000438191447 537936806 /nfs/dbraw/zinc/93/68/06/537936806.db2.gz QJSUOMFAOARWBU-IAGOWNOFSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCC2CC2)C1 ZINC000438191448 537938029 /nfs/dbraw/zinc/93/80/29/537938029.db2.gz QJSUOMFAOARWBU-IRXDYDNUSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000438191449 537937476 /nfs/dbraw/zinc/93/74/76/537937476.db2.gz QJSUOMFAOARWBU-SJORKVTESA-N 1 0 243.394 3.887 20 0 BHADRO c1ccc(OCCCC[NH2+][C@H]2CC=CCC2)cc1 ZINC000438192458 201398564 /nfs/dbraw/zinc/39/85/64/201398564.db2.gz RVPQBJLRNDVJRF-HNNXBMFYSA-N 1 0 245.366 3.544 20 0 BHADRO c1ccc(OCCCC[NH2+][C@@H]2CC=CCC2)cc1 ZINC000438192460 201397762 /nfs/dbraw/zinc/39/77/62/201397762.db2.gz RVPQBJLRNDVJRF-OAHLLOKOSA-N 1 0 245.366 3.544 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438194271 201397871 /nfs/dbraw/zinc/39/78/71/201397871.db2.gz WNBSUWXAHUJIGD-DOTOQJQBSA-N 1 0 243.394 3.887 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438194272 201398365 /nfs/dbraw/zinc/39/83/65/201398365.db2.gz WNBSUWXAHUJIGD-NVXWUHKLSA-N 1 0 243.394 3.887 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438194273 201399090 /nfs/dbraw/zinc/39/90/90/201399090.db2.gz WNBSUWXAHUJIGD-RDJZCZTQSA-N 1 0 243.394 3.887 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438194274 201399209 /nfs/dbraw/zinc/39/92/09/201399209.db2.gz WNBSUWXAHUJIGD-WBVHZDCISA-N 1 0 243.394 3.887 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000438194654 201399365 /nfs/dbraw/zinc/39/93/65/201399365.db2.gz YBJPPLLYPOIXIZ-AWEZNQCLSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000438194655 201399103 /nfs/dbraw/zinc/39/91/03/201399103.db2.gz YBJPPLLYPOIXIZ-CQSZACIVSA-N 1 0 231.383 3.742 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438199213 201398494 /nfs/dbraw/zinc/39/84/94/201398494.db2.gz IGBVVPNLYQSPBQ-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438199214 201399535 /nfs/dbraw/zinc/39/95/35/201399535.db2.gz IGBVVPNLYQSPBQ-OAHLLOKOSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCC2)C1 ZINC000438199731 201398758 /nfs/dbraw/zinc/39/87/58/201398758.db2.gz IDFLGFDKPUWAOA-CVEARBPZSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CCC2)C1 ZINC000438199733 201398554 /nfs/dbraw/zinc/39/85/54/201398554.db2.gz IDFLGFDKPUWAOA-HOTGVXAUSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCC2)C1 ZINC000438199735 201399359 /nfs/dbraw/zinc/39/93/59/201399359.db2.gz IDFLGFDKPUWAOA-HZPDHXFCSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CCC2)C1 ZINC000438199737 201398964 /nfs/dbraw/zinc/39/89/64/201398964.db2.gz IDFLGFDKPUWAOA-JKSUJKDBSA-N 1 0 229.367 3.639 20 0 BHADRO CC(C)(C)C[NH2+]CCCCCOc1ccccc1 ZINC000438200273 201398641 /nfs/dbraw/zinc/39/86/41/201398641.db2.gz HRRKXUSYPIZVBG-UHFFFAOYSA-N 1 0 249.398 3.871 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2CCC2)C1 ZINC000438203580 201397743 /nfs/dbraw/zinc/39/77/43/201397743.db2.gz SJUPMYZEFPHRPT-DLBZAZTESA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000438203581 201398602 /nfs/dbraw/zinc/39/86/02/201398602.db2.gz SJUPMYZEFPHRPT-IAGOWNOFSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2CCC2)C1 ZINC000438203583 201399386 /nfs/dbraw/zinc/39/93/86/201399386.db2.gz SJUPMYZEFPHRPT-IRXDYDNUSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000438203584 201399509 /nfs/dbraw/zinc/39/95/09/201399509.db2.gz SJUPMYZEFPHRPT-SJORKVTESA-N 1 0 243.394 3.887 20 0 BHADRO CC(C)(C)CC[NH2+]CCCc1cccc(F)c1 ZINC000438203739 201399285 /nfs/dbraw/zinc/39/92/85/201399285.db2.gz QLUCAGRBFLHZFN-UHFFFAOYSA-N 1 0 237.362 3.784 20 0 BHADRO CCOc1ccccc1CC[NH2+]CCC(C)(C)C ZINC000438204476 537936948 /nfs/dbraw/zinc/93/69/48/537936948.db2.gz YSKJFPQDYOJZIY-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO COc1cc(C[NH2+]CCC(C)(C)C)ccc1C ZINC000438205421 201398997 /nfs/dbraw/zinc/39/89/97/201398997.db2.gz AXDKADYVMHPKBV-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC(C)N(C)c1ccccc1C[NH2+]CC(C)(C)C ZINC000438324602 387922173 /nfs/dbraw/zinc/92/21/73/387922173.db2.gz HQZLTCFJZVOXEU-UHFFFAOYSA-N 1 0 248.414 3.667 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000438328543 387922920 /nfs/dbraw/zinc/92/29/20/387922920.db2.gz SUDCECRMCHTSBY-ZDUSSCGKSA-N 1 0 223.385 3.616 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)Cc1ccc(OC)cc1 ZINC000438340752 387926866 /nfs/dbraw/zinc/92/68/66/387926866.db2.gz LZIOQZDFNNQDMM-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)Cc1ccc(OC)cc1 ZINC000438340754 387925615 /nfs/dbraw/zinc/92/56/15/387925615.db2.gz LZIOQZDFNNQDMM-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1N(C)C(C)C ZINC000438343349 387925710 /nfs/dbraw/zinc/92/57/10/387925710.db2.gz BQCMBIVSBUSXIX-AWEZNQCLSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1N(C)C(C)C ZINC000438343351 201403432 /nfs/dbraw/zinc/40/34/32/201403432.db2.gz BQCMBIVSBUSXIX-CQSZACIVSA-N 1 0 248.414 3.667 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)o1 ZINC000438345272 387925131 /nfs/dbraw/zinc/92/51/31/387925131.db2.gz LVIPUMYQZDVEND-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO Oc1cccc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000438347300 387925067 /nfs/dbraw/zinc/92/50/67/387925067.db2.gz SLYAKSLANGSXMQ-UHFFFAOYSA-N 1 0 245.366 3.548 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCC3)C2)cs1 ZINC000438348173 387926060 /nfs/dbraw/zinc/92/60/60/387926060.db2.gz WXKCVPZFBPALHQ-UHFFFAOYSA-N 1 0 235.396 3.904 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)nc1 ZINC000438349025 387926956 /nfs/dbraw/zinc/92/69/56/387926956.db2.gz MIUPPZGSPOBJCP-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1ccccc1N(C)C ZINC000438351085 387926871 /nfs/dbraw/zinc/92/68/71/387926871.db2.gz FQNIVGWWERTINN-UHFFFAOYSA-N 1 0 248.414 3.524 20 0 BHADRO C[NH+](C)CCc1ccccc1NCCC(C)(C)C ZINC000438352447 387925152 /nfs/dbraw/zinc/92/51/52/387925152.db2.gz HMMKZJBRRXLHHJ-UHFFFAOYSA-N 1 0 248.414 3.639 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000438352951 387924843 /nfs/dbraw/zinc/92/48/43/387924843.db2.gz AQRLNWPTVVDIDN-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CC1(C)CCCC[N@H+](Cc2ccsc2)C1 ZINC000438353983 387929244 /nfs/dbraw/zinc/92/92/44/387929244.db2.gz CILWMQLKLKYEII-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000438355438 387929109 /nfs/dbraw/zinc/92/91/09/387929109.db2.gz NPMATPCNHPMGRK-UHFFFAOYSA-N 1 0 233.355 3.744 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCCCC(C)(C)C1 ZINC000438362889 387929512 /nfs/dbraw/zinc/92/95/12/387929512.db2.gz FKQXXQUIPVXRCQ-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)cn1 ZINC000438365255 387928787 /nfs/dbraw/zinc/92/87/87/387928787.db2.gz AYWBJIDRCGNAQB-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCCC(C)(C)C2)o1 ZINC000438366689 387928830 /nfs/dbraw/zinc/92/88/30/387928830.db2.gz XPBLPJPPKLHZSN-UHFFFAOYSA-N 1 0 221.344 3.600 20 0 BHADRO CCC(CC)CNc1ccccc1CC[NH+](C)C ZINC000438375665 411448786 /nfs/dbraw/zinc/44/87/86/411448786.db2.gz JYZIOBUQYZMFQX-UHFFFAOYSA-N 1 0 248.414 3.639 20 0 BHADRO Cc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)o1 ZINC000438466124 387936812 /nfs/dbraw/zinc/93/68/12/387936812.db2.gz AQJGVNSIEGQPTH-LLVKDONJSA-N 1 0 249.276 3.655 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)o1 ZINC000438466125 387937854 /nfs/dbraw/zinc/93/78/54/387937854.db2.gz AQJGVNSIEGQPTH-NSHDSACASA-N 1 0 249.276 3.655 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000438474518 201412207 /nfs/dbraw/zinc/41/22/07/201412207.db2.gz ICFPNGIVJJCEDE-JTQLQIEISA-N 1 0 249.276 3.655 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000438474519 387937876 /nfs/dbraw/zinc/93/78/76/387937876.db2.gz ICFPNGIVJJCEDE-SNVBAGLBSA-N 1 0 249.276 3.655 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000438476905 201411377 /nfs/dbraw/zinc/41/13/77/201411377.db2.gz JMPOWZLATLRIAV-GFCCVEGCSA-N 1 0 245.288 3.753 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000438476906 387937842 /nfs/dbraw/zinc/93/78/42/387937842.db2.gz JMPOWZLATLRIAV-LBPRGKRZSA-N 1 0 245.288 3.753 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC=CCC1 ZINC000438481566 201410217 /nfs/dbraw/zinc/41/02/17/201410217.db2.gz VSEVOHNATPUGBK-NEPJUHHUSA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CC=CCC1 ZINC000438481570 387937174 /nfs/dbraw/zinc/93/71/74/387937174.db2.gz VSEVOHNATPUGBK-NWDGAFQWSA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H]1CC=CCC1 ZINC000438481572 201410736 /nfs/dbraw/zinc/41/07/36/201410736.db2.gz VSEVOHNATPUGBK-RYUDHWBXSA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CC=CCC1 ZINC000438481575 387937509 /nfs/dbraw/zinc/93/75/09/387937509.db2.gz VSEVOHNATPUGBK-VXGBXAGGSA-N 1 0 249.320 3.909 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000438498463 206075127 /nfs/dbraw/zinc/07/51/27/206075127.db2.gz DQGROPUNUDFQHO-DZGCQCFKSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000438498464 206075632 /nfs/dbraw/zinc/07/56/32/206075632.db2.gz DQGROPUNUDFQHO-HIFRSBDPSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000438498465 206076091 /nfs/dbraw/zinc/07/60/91/206076091.db2.gz DQGROPUNUDFQHO-UKRRQHHQSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000438498466 206075311 /nfs/dbraw/zinc/07/53/11/206075311.db2.gz DQGROPUNUDFQHO-ZFWWWQNUSA-N 1 0 247.382 3.734 20 0 BHADRO CCC(CC)n1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000438535255 387941900 /nfs/dbraw/zinc/94/19/00/387941900.db2.gz MNOOCLPJSGEDBB-BETUJISGSA-N 1 0 249.402 3.617 20 0 BHADRO CCC(CC)n1ccc(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000438535257 387941280 /nfs/dbraw/zinc/94/12/80/387941280.db2.gz MNOOCLPJSGEDBB-CHWSQXEVSA-N 1 0 249.402 3.617 20 0 BHADRO CCC(CC)n1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000438535259 387941305 /nfs/dbraw/zinc/94/13/05/387941305.db2.gz MNOOCLPJSGEDBB-STQMWFEESA-N 1 0 249.402 3.617 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H](C)C1)Cc1ccccc1 ZINC000438543252 201415086 /nfs/dbraw/zinc/41/50/86/201415086.db2.gz YOPVABYMYAXNII-DZKIICNBSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)Cc1ccccc1 ZINC000438543253 387943593 /nfs/dbraw/zinc/94/35/93/387943593.db2.gz YOPVABYMYAXNII-IJEWVQPXSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)Cc1ccccc1 ZINC000438543254 387942668 /nfs/dbraw/zinc/94/26/68/387942668.db2.gz YOPVABYMYAXNII-OFQRWUPVSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)Cc1ccccc1 ZINC000438543255 201415576 /nfs/dbraw/zinc/41/55/76/201415576.db2.gz YOPVABYMYAXNII-YCPHGPKFSA-N 1 0 231.383 3.643 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000438753922 387954758 /nfs/dbraw/zinc/95/47/58/387954758.db2.gz NUCTXYTZFXBRTL-AWEZNQCLSA-N 1 0 234.387 3.978 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000438753923 387952511 /nfs/dbraw/zinc/95/25/11/387952511.db2.gz NUCTXYTZFXBRTL-CQSZACIVSA-N 1 0 234.387 3.978 20 0 BHADRO CCC(C)(C)CC[N@H+](C)CCC(F)(F)F ZINC000438783289 387955802 /nfs/dbraw/zinc/95/58/02/387955802.db2.gz FNGCJXZEFZOWHH-UHFFFAOYSA-N 1 0 225.298 3.697 20 0 BHADRO CC1C[NH+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000438859140 387960811 /nfs/dbraw/zinc/96/08/11/387960811.db2.gz PYMBQDQVBGHTMY-UHFFFAOYSA-N 1 0 243.375 3.867 20 0 BHADRO CC1C[NH+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000438860127 387956401 /nfs/dbraw/zinc/95/64/01/387956401.db2.gz RNAANHOQDBNSMS-UHFFFAOYSA-N 1 0 243.375 3.867 20 0 BHADRO CCC[C@@H](C[NH+]1CC(C)C1)c1ccccc1 ZINC000438862867 387959768 /nfs/dbraw/zinc/95/97/68/387959768.db2.gz XRXCXVWIUXRQBG-HNNXBMFYSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[C@H](C[NH+]1CC(C)C1)c1ccccc1 ZINC000438862870 387960116 /nfs/dbraw/zinc/96/01/16/387960116.db2.gz XRXCXVWIUXRQBG-OAHLLOKOSA-N 1 0 217.356 3.522 20 0 BHADRO CC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439313355 201443933 /nfs/dbraw/zinc/44/39/33/201443933.db2.gz FFRKBRZVEMOFTR-UHFFFAOYSA-N 1 0 241.737 3.621 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439321246 387994802 /nfs/dbraw/zinc/99/48/02/387994802.db2.gz FQLAEGCXURXARW-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439321247 387994417 /nfs/dbraw/zinc/99/44/17/387994417.db2.gz FQLAEGCXURXARW-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439321248 201443278 /nfs/dbraw/zinc/44/32/78/201443278.db2.gz FQLAEGCXURXARW-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439321249 387993941 /nfs/dbraw/zinc/99/39/41/387993941.db2.gz FQLAEGCXURXARW-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CSCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439324656 387994396 /nfs/dbraw/zinc/99/43/96/387994396.db2.gz YKXQUZXBSFGPPP-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CSCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439324664 387994979 /nfs/dbraw/zinc/99/49/79/387994979.db2.gz YKXQUZXBSFGPPP-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CSCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439324665 387994072 /nfs/dbraw/zinc/99/40/72/387994072.db2.gz YKXQUZXBSFGPPP-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CSCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439324666 387994451 /nfs/dbraw/zinc/99/44/51/387994451.db2.gz YKXQUZXBSFGPPP-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000439330777 387995049 /nfs/dbraw/zinc/99/50/49/387995049.db2.gz WZOPQKONAWWXAG-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000439330778 387994819 /nfs/dbraw/zinc/99/48/19/387994819.db2.gz WZOPQKONAWWXAG-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000439330779 387994459 /nfs/dbraw/zinc/99/44/59/387994459.db2.gz WZOPQKONAWWXAG-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCF ZINC000439330780 387993710 /nfs/dbraw/zinc/99/37/10/387993710.db2.gz WZOPQKONAWWXAG-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000439474184 388002481 /nfs/dbraw/zinc/00/24/81/388002481.db2.gz BYBNNOARAKRWLU-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000439474209 388002546 /nfs/dbraw/zinc/00/25/46/388002546.db2.gz BYBNNOARAKRWLU-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCCO1 ZINC000439474662 388001800 /nfs/dbraw/zinc/00/18/00/388001800.db2.gz NNJCTNUUCZRIHM-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCCO1 ZINC000439474664 388003062 /nfs/dbraw/zinc/00/30/62/388003062.db2.gz NNJCTNUUCZRIHM-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCCO1 ZINC000439474665 388001743 /nfs/dbraw/zinc/00/17/43/388001743.db2.gz NNJCTNUUCZRIHM-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCCO1 ZINC000439474667 201448216 /nfs/dbraw/zinc/44/82/16/201448216.db2.gz NNJCTNUUCZRIHM-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000439475744 388002355 /nfs/dbraw/zinc/00/23/55/388002355.db2.gz FRYZYLHOLUDESD-CYBMUJFWSA-N 1 0 237.412 3.741 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000439475745 388002413 /nfs/dbraw/zinc/00/24/13/388002413.db2.gz FRYZYLHOLUDESD-ZDUSSCGKSA-N 1 0 237.412 3.741 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)CCCO1 ZINC000439480511 388002114 /nfs/dbraw/zinc/00/21/14/388002114.db2.gz DLHSSIWLLLCIRF-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)CCCO1 ZINC000439480512 388002043 /nfs/dbraw/zinc/00/20/43/388002043.db2.gz DLHSSIWLLLCIRF-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)CCCO1 ZINC000439480513 388002698 /nfs/dbraw/zinc/00/26/98/388002698.db2.gz DLHSSIWLLLCIRF-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)CCCO1 ZINC000439480515 388002305 /nfs/dbraw/zinc/00/23/05/388002305.db2.gz DLHSSIWLLLCIRF-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](CC)C1 ZINC000439483320 388003473 /nfs/dbraw/zinc/00/34/73/388003473.db2.gz IGTCSFGAFRFBEL-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439483321 388002937 /nfs/dbraw/zinc/00/29/37/388002937.db2.gz IGTCSFGAFRFBEL-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](CC)C1 ZINC000439483322 388001791 /nfs/dbraw/zinc/00/17/91/388001791.db2.gz IGTCSFGAFRFBEL-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439483323 201451837 /nfs/dbraw/zinc/45/18/37/201451837.db2.gz IGTCSFGAFRFBEL-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CSCCC[N@H+](C)CCCC1CCCC1 ZINC000439485978 388004512 /nfs/dbraw/zinc/00/45/12/388004512.db2.gz VETPBHKEFKYKCQ-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCc1ccccc1C ZINC000439953200 388025604 /nfs/dbraw/zinc/02/56/04/388025604.db2.gz WLZVEFBQHIJDFE-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCc1ccccc1C ZINC000439953201 388025916 /nfs/dbraw/zinc/02/59/16/388025916.db2.gz WLZVEFBQHIJDFE-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCSc1ccc(F)cc1 ZINC000439967085 388027670 /nfs/dbraw/zinc/02/76/70/388027670.db2.gz VVPKDCBJRKKWHQ-LLVKDONJSA-N 1 0 241.375 3.648 20 0 BHADRO CC[C@H](C)[N@H+](C)CCSc1ccc(F)cc1 ZINC000439967086 388027426 /nfs/dbraw/zinc/02/74/26/388027426.db2.gz VVPKDCBJRKKWHQ-NSHDSACASA-N 1 0 241.375 3.648 20 0 BHADRO c1ccc([C@H]([NH2+]CC2CCC2)C2CCC2)cc1 ZINC000439988661 388027045 /nfs/dbraw/zinc/02/70/45/388027045.db2.gz JWZZWLXCJCOXJQ-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2CCC2)C2CCC2)cc1 ZINC000439988662 388027493 /nfs/dbraw/zinc/02/74/93/388027493.db2.gz JWZZWLXCJCOXJQ-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)CC(C)C ZINC000440314607 388038919 /nfs/dbraw/zinc/03/89/19/388038919.db2.gz JKTUVHSQJGJVGT-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C(C)C)C1CC1 ZINC000440316788 388038154 /nfs/dbraw/zinc/03/81/54/388038154.db2.gz PMPHZTBDSFUJNV-UHFFFAOYSA-N 1 0 231.383 3.800 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)CC1CCC1 ZINC000440319691 388038214 /nfs/dbraw/zinc/03/82/14/388038214.db2.gz VIVSLDXBKANUBQ-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)C1CCCC1 ZINC000440320185 388038811 /nfs/dbraw/zinc/03/88/11/388038811.db2.gz XHWGHQWVAVWIJJ-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)Cc1ccoc1 ZINC000440321888 388039482 /nfs/dbraw/zinc/03/94/82/388039482.db2.gz BAOCNGOUKFHPSK-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[N@H+](CCCc1ccccc1C)C(C)C ZINC000440323178 388038201 /nfs/dbraw/zinc/03/82/01/388038201.db2.gz DVNNBOLLYKDOMA-UHFFFAOYSA-N 1 0 219.372 3.658 20 0 BHADRO Cc1ccccc1CCC[N@@H+]1CCC12CCC2 ZINC000440327555 388038109 /nfs/dbraw/zinc/03/81/09/388038109.db2.gz OTQKIDIAFKFMCG-UHFFFAOYSA-N 1 0 229.367 3.556 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)Cc1ccco1 ZINC000440328461 388038187 /nfs/dbraw/zinc/03/81/87/388038187.db2.gz SPSVYQDGHCBIOL-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[N@H+](CCCc1ccccc1C)C1CCC1 ZINC000440329833 388039218 /nfs/dbraw/zinc/03/92/18/388039218.db2.gz VCGOHWSDZSWKMH-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000440485932 206076987 /nfs/dbraw/zinc/07/69/87/206076987.db2.gz KSYQJGNZHTVHEG-CABCVRRESA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000440485933 206076634 /nfs/dbraw/zinc/07/66/34/206076634.db2.gz KSYQJGNZHTVHEG-GJZGRUSLSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000440485934 206076371 /nfs/dbraw/zinc/07/63/71/206076371.db2.gz KSYQJGNZHTVHEG-HUUCEWRRSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000440485935 206078651 /nfs/dbraw/zinc/07/86/51/206078651.db2.gz KSYQJGNZHTVHEG-LSDHHAIUSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000440487454 206077520 /nfs/dbraw/zinc/07/75/20/206077520.db2.gz BOXSOCUIKZBILS-CYBMUJFWSA-N 1 0 243.753 3.562 20 0 BHADRO CC[C@H](F)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000440487458 206076931 /nfs/dbraw/zinc/07/69/31/206076931.db2.gz BOXSOCUIKZBILS-ZDUSSCGKSA-N 1 0 243.753 3.562 20 0 BHADRO CC[C@H](F)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000440498013 388045924 /nfs/dbraw/zinc/04/59/24/388045924.db2.gz UEUWDFPXNSWHNN-HNNXBMFYSA-N 1 0 249.373 3.880 20 0 BHADRO CC[C@@H](F)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000440498016 201480767 /nfs/dbraw/zinc/48/07/67/201480767.db2.gz UEUWDFPXNSWHNN-OAHLLOKOSA-N 1 0 249.373 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000440500446 388045537 /nfs/dbraw/zinc/04/55/37/388045537.db2.gz BENDJYGZRBDMLM-ISEXYEMMSA-N 1 0 247.357 3.912 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000440500447 388044227 /nfs/dbraw/zinc/04/42/27/388044227.db2.gz BENDJYGZRBDMLM-JVSIQZEQSA-N 1 0 247.357 3.912 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000440500450 386741208 /nfs/dbraw/zinc/74/12/08/386741208.db2.gz BENDJYGZRBDMLM-PTVNLRSFSA-N 1 0 247.357 3.912 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000440500454 386741088 /nfs/dbraw/zinc/74/10/88/386741088.db2.gz BENDJYGZRBDMLM-ZBYDSPNZSA-N 1 0 247.357 3.912 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000440501881 388045327 /nfs/dbraw/zinc/04/53/27/388045327.db2.gz FFIOKJXRAVQVKD-DZGCQCFKSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000440501882 388045269 /nfs/dbraw/zinc/04/52/69/388045269.db2.gz FFIOKJXRAVQVKD-HIFRSBDPSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000440501883 388044871 /nfs/dbraw/zinc/04/48/71/388044871.db2.gz FFIOKJXRAVQVKD-UKRRQHHQSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000440501884 388044655 /nfs/dbraw/zinc/04/46/55/388044655.db2.gz FFIOKJXRAVQVKD-ZFWWWQNUSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000440506872 388048022 /nfs/dbraw/zinc/04/80/22/388048022.db2.gz BMEOALBEVLWHGT-KKUMJFAQSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000440506874 388046727 /nfs/dbraw/zinc/04/67/27/388046727.db2.gz BMEOALBEVLWHGT-RRFJBIMHSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000440506876 388046963 /nfs/dbraw/zinc/04/69/63/388046963.db2.gz BMEOALBEVLWHGT-SOUVJXGZSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000440506878 388047532 /nfs/dbraw/zinc/04/75/32/388047532.db2.gz BMEOALBEVLWHGT-ZNMIVQPWSA-N 1 0 235.346 3.660 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@H](F)CC ZINC000440509160 388047940 /nfs/dbraw/zinc/04/79/40/388047940.db2.gz FLCMMXGENVSABB-GFCCVEGCSA-N 1 0 243.391 3.751 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@@H](F)CC ZINC000440509164 201486053 /nfs/dbraw/zinc/48/60/53/201486053.db2.gz FLCMMXGENVSABB-LBPRGKRZSA-N 1 0 243.391 3.751 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000440510523 386752064 /nfs/dbraw/zinc/75/20/64/386752064.db2.gz KJFCUTTVMHYTCP-CYBMUJFWSA-N 1 0 248.345 3.738 20 0 BHADRO CC[C@H](F)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000440510538 386752601 /nfs/dbraw/zinc/75/26/01/386752601.db2.gz KJFCUTTVMHYTCP-ZDUSSCGKSA-N 1 0 248.345 3.738 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000440513972 388049226 /nfs/dbraw/zinc/04/92/26/388049226.db2.gz KZGBFGYHXLCTLA-DZGCQCFKSA-N 1 0 235.346 3.784 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000440513973 388049772 /nfs/dbraw/zinc/04/97/72/388049772.db2.gz KZGBFGYHXLCTLA-HIFRSBDPSA-N 1 0 235.346 3.784 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000440513975 388049632 /nfs/dbraw/zinc/04/96/32/388049632.db2.gz KZGBFGYHXLCTLA-UKRRQHHQSA-N 1 0 235.346 3.784 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000440513977 388049585 /nfs/dbraw/zinc/04/95/85/388049585.db2.gz KZGBFGYHXLCTLA-ZFWWWQNUSA-N 1 0 235.346 3.784 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000440516120 388048629 /nfs/dbraw/zinc/04/86/29/388048629.db2.gz SLSPWDAMDZAQTG-PWSUYJOCSA-N 1 0 235.302 3.832 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000440516121 388048819 /nfs/dbraw/zinc/04/88/19/388048819.db2.gz SLSPWDAMDZAQTG-ZYHUDNBSSA-N 1 0 235.302 3.832 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@H]1CCCC[C@H]1C ZINC000440516671 388048542 /nfs/dbraw/zinc/04/85/42/388048542.db2.gz OXFROIRYYPRYAP-AGIUHOORSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000440516676 388049754 /nfs/dbraw/zinc/04/97/54/388049754.db2.gz OXFROIRYYPRYAP-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000440516677 388049328 /nfs/dbraw/zinc/04/93/28/388049328.db2.gz OXFROIRYYPRYAP-FRRDWIJNSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000440516679 388047382 /nfs/dbraw/zinc/04/73/82/388047382.db2.gz OXFROIRYYPRYAP-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000440517521 388048436 /nfs/dbraw/zinc/04/84/36/388048436.db2.gz IMHDAUUXVNBZDI-NRMKIYEFSA-N 1 0 235.346 3.770 20 0 BHADRO CC[C@H](F)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000440517522 388049092 /nfs/dbraw/zinc/04/90/92/388049092.db2.gz IMHDAUUXVNBZDI-VOMSXAGXSA-N 1 0 235.346 3.770 20 0 BHADRO CC[C@@H](F)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000440517524 388048724 /nfs/dbraw/zinc/04/87/24/388048724.db2.gz IMHDAUUXVNBZDI-VSKPTYQZSA-N 1 0 235.346 3.770 20 0 BHADRO CC[C@H](F)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000440517525 388049718 /nfs/dbraw/zinc/04/97/18/388049718.db2.gz IMHDAUUXVNBZDI-WVUXNXBLSA-N 1 0 235.346 3.770 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000440517977 388050894 /nfs/dbraw/zinc/05/08/94/388050894.db2.gz IWJVOLMWZLMNTK-AAEUAGOBSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000440517979 388050823 /nfs/dbraw/zinc/05/08/23/388050823.db2.gz IWJVOLMWZLMNTK-WCQYABFASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000440518703 388051528 /nfs/dbraw/zinc/05/15/28/388051528.db2.gz RWZPXSVQGVIBGB-HRCADAONSA-N 1 0 249.373 3.736 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000440518705 201485900 /nfs/dbraw/zinc/48/59/00/201485900.db2.gz RWZPXSVQGVIBGB-JYJNAYRXSA-N 1 0 249.373 3.736 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000440518707 388051624 /nfs/dbraw/zinc/05/16/24/388051624.db2.gz RWZPXSVQGVIBGB-OWCLPIDISA-N 1 0 249.373 3.736 20 0 BHADRO CC[C@H](F)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000440518708 388051285 /nfs/dbraw/zinc/05/12/85/388051285.db2.gz RWZPXSVQGVIBGB-PMPSAXMXSA-N 1 0 249.373 3.736 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000440519792 537950035 /nfs/dbraw/zinc/95/00/35/537950035.db2.gz USYDHAKLTUAZLJ-CABCVRRESA-N 1 0 235.346 3.962 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000440519793 537949594 /nfs/dbraw/zinc/94/95/94/537949594.db2.gz USYDHAKLTUAZLJ-GJZGRUSLSA-N 1 0 235.346 3.962 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000440519796 537949774 /nfs/dbraw/zinc/94/97/74/537949774.db2.gz USYDHAKLTUAZLJ-HUUCEWRRSA-N 1 0 235.346 3.962 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000440519800 537950096 /nfs/dbraw/zinc/95/00/96/537950096.db2.gz USYDHAKLTUAZLJ-LSDHHAIUSA-N 1 0 235.346 3.962 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000440524399 397929359 /nfs/dbraw/zinc/92/93/59/397929359.db2.gz SLSPWDAMDZAQTG-CMPLNLGQSA-N 1 0 235.302 3.832 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000440524400 397929600 /nfs/dbraw/zinc/92/96/00/397929600.db2.gz SLSPWDAMDZAQTG-JQWIXIFHSA-N 1 0 235.302 3.832 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H]1CCCC[C@H]1CC ZINC000440524605 397929399 /nfs/dbraw/zinc/92/93/99/397929399.db2.gz KKEQKERIHNYNQI-AGIUHOORSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000440524606 397929941 /nfs/dbraw/zinc/92/99/41/397929941.db2.gz KKEQKERIHNYNQI-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000440524607 397929990 /nfs/dbraw/zinc/92/99/90/397929990.db2.gz KKEQKERIHNYNQI-FRRDWIJNSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000440524608 397929537 /nfs/dbraw/zinc/92/95/37/397929537.db2.gz KKEQKERIHNYNQI-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000440525549 397929965 /nfs/dbraw/zinc/92/99/65/397929965.db2.gz INIUCGHFJLCWMG-AAEUAGOBSA-N 1 0 243.391 3.749 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000440525551 397929450 /nfs/dbraw/zinc/92/94/50/397929450.db2.gz INIUCGHFJLCWMG-DGCLKSJQSA-N 1 0 243.391 3.749 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000440525553 397930007 /nfs/dbraw/zinc/93/00/07/397930007.db2.gz INIUCGHFJLCWMG-WCQYABFASA-N 1 0 243.391 3.749 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000440525554 397929982 /nfs/dbraw/zinc/92/99/82/397929982.db2.gz INIUCGHFJLCWMG-YPMHNXCESA-N 1 0 243.391 3.749 20 0 BHADRO CC[C@@H](F)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000440531486 388052562 /nfs/dbraw/zinc/05/25/62/388052562.db2.gz JESKEPXZOOCLAT-CABCVRRESA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@H](F)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000440531487 388053501 /nfs/dbraw/zinc/05/35/01/388053501.db2.gz JESKEPXZOOCLAT-GJZGRUSLSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@@H](F)C[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000440531488 388053302 /nfs/dbraw/zinc/05/33/02/388053302.db2.gz JESKEPXZOOCLAT-HUUCEWRRSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@H](F)C[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000440531489 388052445 /nfs/dbraw/zinc/05/24/45/388052445.db2.gz JESKEPXZOOCLAT-LSDHHAIUSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@@H](F)C[NH+]1CCC(c2ccsc2)CC1 ZINC000440537116 388052790 /nfs/dbraw/zinc/05/27/90/388052790.db2.gz YHZXBWGEUVOCPK-CYBMUJFWSA-N 1 0 241.375 3.676 20 0 BHADRO CC[C@H](F)C[NH+]1CCC(c2ccsc2)CC1 ZINC000440537117 388053474 /nfs/dbraw/zinc/05/34/74/388053474.db2.gz YHZXBWGEUVOCPK-ZDUSSCGKSA-N 1 0 241.375 3.676 20 0 BHADRO CC[C@H](F)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000440539528 388053057 /nfs/dbraw/zinc/05/30/57/388053057.db2.gz ZYAKDZLUHDRXMP-DZGCQCFKSA-N 1 0 235.346 3.576 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000440539530 388052556 /nfs/dbraw/zinc/05/25/56/388052556.db2.gz ZYAKDZLUHDRXMP-HIFRSBDPSA-N 1 0 235.346 3.576 20 0 BHADRO CC[C@@H](F)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000440539533 388052848 /nfs/dbraw/zinc/05/28/48/388052848.db2.gz ZYAKDZLUHDRXMP-UKRRQHHQSA-N 1 0 235.346 3.576 20 0 BHADRO CC[C@H](F)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000440539535 388052439 /nfs/dbraw/zinc/05/24/39/388052439.db2.gz ZYAKDZLUHDRXMP-ZFWWWQNUSA-N 1 0 235.346 3.576 20 0 BHADRO CC(C)(C)CSCCC[NH+]1CCCCC1 ZINC000440591604 201496141 /nfs/dbraw/zinc/49/61/41/201496141.db2.gz QZZFHEHJBGCEKR-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000440593556 388059269 /nfs/dbraw/zinc/05/92/69/388059269.db2.gz FXZSAUQVOZXHMV-GXTWGEPZSA-N 1 0 237.362 3.690 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000440593557 388059545 /nfs/dbraw/zinc/05/95/45/388059545.db2.gz FXZSAUQVOZXHMV-JSGCOSHPSA-N 1 0 237.362 3.690 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000440593558 388059802 /nfs/dbraw/zinc/05/98/02/388059802.db2.gz FXZSAUQVOZXHMV-OCCSQVGLSA-N 1 0 237.362 3.690 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000440593559 388059607 /nfs/dbraw/zinc/05/96/07/388059607.db2.gz FXZSAUQVOZXHMV-TZMCWYRMSA-N 1 0 237.362 3.690 20 0 BHADRO CC[C@H](F)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000440597357 388060389 /nfs/dbraw/zinc/06/03/89/388060389.db2.gz LTHAHKBLHWOLMX-AWEZNQCLSA-N 1 0 235.346 3.794 20 0 BHADRO CC[C@@H](F)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000440597358 388060299 /nfs/dbraw/zinc/06/02/99/388060299.db2.gz LTHAHKBLHWOLMX-CQSZACIVSA-N 1 0 235.346 3.794 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000440600485 388060850 /nfs/dbraw/zinc/06/08/50/388060850.db2.gz XLDBYCFGRRGFJS-NOZJJQNGSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000440600489 388060701 /nfs/dbraw/zinc/06/07/01/388060701.db2.gz XLDBYCFGRRGFJS-RNCFNFMXSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](F)CC)c1cc(F)ccc1F ZINC000440600492 388061006 /nfs/dbraw/zinc/06/10/06/388061006.db2.gz XLDBYCFGRRGFJS-TVQRCGJNSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000440600494 388060790 /nfs/dbraw/zinc/06/07/90/388060790.db2.gz XLDBYCFGRRGFJS-ZANVPECISA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000440601088 388061229 /nfs/dbraw/zinc/06/12/29/388061229.db2.gz SNWANNGFJHDFQH-JTQLQIEISA-N 1 0 245.288 3.538 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000440601091 388060946 /nfs/dbraw/zinc/06/09/46/388060946.db2.gz SNWANNGFJHDFQH-SNVBAGLBSA-N 1 0 245.288 3.538 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000440603662 388060551 /nfs/dbraw/zinc/06/05/51/388060551.db2.gz ZZKMMEDHORLGII-NOZJJQNGSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000440603663 388060342 /nfs/dbraw/zinc/06/03/42/388060342.db2.gz ZZKMMEDHORLGII-RNCFNFMXSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](F)CC)c1ccc(F)cc1F ZINC000440603664 388060678 /nfs/dbraw/zinc/06/06/78/388060678.db2.gz ZZKMMEDHORLGII-TVQRCGJNSA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000440603665 398192661 /nfs/dbraw/zinc/19/26/61/398192661.db2.gz ZZKMMEDHORLGII-ZANVPECISA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H](F)CSCC[NH+](C(C)C)C(C)C ZINC000440605010 388058371 /nfs/dbraw/zinc/05/83/71/388058371.db2.gz KBOJWKLCQLSXCG-GFCCVEGCSA-N 1 0 235.412 3.587 20 0 BHADRO CC[C@H](F)CSCC[NH+](C(C)C)C(C)C ZINC000440605011 388057842 /nfs/dbraw/zinc/05/78/42/388057842.db2.gz KBOJWKLCQLSXCG-LBPRGKRZSA-N 1 0 235.412 3.587 20 0 BHADRO Cc1cccc(C[N@H+](C)CCCC2CCCC2)n1 ZINC000440656768 386052152 /nfs/dbraw/zinc/05/21/52/386052152.db2.gz DEDHLQKKYUMUNL-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[C@H](F)C[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000440689256 386064659 /nfs/dbraw/zinc/06/46/59/386064659.db2.gz APYBRLGYXQQJIO-SRVKXCTJSA-N 1 0 215.356 3.634 20 0 BHADRO CC[C@H](F)C[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000440689257 191693571 /nfs/dbraw/zinc/69/35/71/191693571.db2.gz APYBRLGYXQQJIO-TUAOUCFPSA-N 1 0 215.356 3.634 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@@H+](C[C@@H](F)CC)C1CC1 ZINC000440689258 386064840 /nfs/dbraw/zinc/06/48/40/386064840.db2.gz APYBRLGYXQQJIO-UTUOFQBUSA-N 1 0 215.356 3.634 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@@H+](C[C@@H](F)CC)C1CC1 ZINC000440689259 386065349 /nfs/dbraw/zinc/06/53/49/386065349.db2.gz APYBRLGYXQQJIO-WOPDTQHZSA-N 1 0 215.356 3.634 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000440689446 388067830 /nfs/dbraw/zinc/06/78/30/388067830.db2.gz BXEUSPAEEGCDBE-DZGCQCFKSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000440689447 388067440 /nfs/dbraw/zinc/06/74/40/388067440.db2.gz BXEUSPAEEGCDBE-HIFRSBDPSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000440689448 388067036 /nfs/dbraw/zinc/06/70/36/388067036.db2.gz BXEUSPAEEGCDBE-UKRRQHHQSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000440689449 388066401 /nfs/dbraw/zinc/06/64/01/388066401.db2.gz BXEUSPAEEGCDBE-ZFWWWQNUSA-N 1 0 235.346 3.880 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@@H](F)CC ZINC000440691592 388066260 /nfs/dbraw/zinc/06/62/60/388066260.db2.gz IXTPOUGFHYELTO-AWEZNQCLSA-N 1 0 223.335 3.647 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@H](F)CC ZINC000440691593 388067144 /nfs/dbraw/zinc/06/71/44/388067144.db2.gz IXTPOUGFHYELTO-CQSZACIVSA-N 1 0 223.335 3.647 20 0 BHADRO CC[C@H](F)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000440692649 388067603 /nfs/dbraw/zinc/06/76/03/388067603.db2.gz LIIPJBCYBSZSOV-CPCZMJQVSA-N 1 0 227.367 3.778 20 0 BHADRO CC[C@@H](F)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000440692650 388067259 /nfs/dbraw/zinc/06/72/59/388067259.db2.gz LIIPJBCYBSZSOV-OTTFEQOBSA-N 1 0 227.367 3.778 20 0 BHADRO CCC[N@H+](C[C@@H](O)CC)[C@@H](CC)c1ccccc1 ZINC000440694419 388069874 /nfs/dbraw/zinc/06/98/74/388069874.db2.gz OOEZEJTVDSEBHF-HOTGVXAUSA-N 1 0 249.398 3.621 20 0 BHADRO CCC[N@H+](C[C@@H](O)CC)[C@H](CC)c1ccccc1 ZINC000440694420 388067389 /nfs/dbraw/zinc/06/73/89/388067389.db2.gz OOEZEJTVDSEBHF-JKSUJKDBSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[N@H+](C[C@@H](O)CC)[C@@H](C)c1ccccc1 ZINC000440695538 388068170 /nfs/dbraw/zinc/06/81/70/388068170.db2.gz UZZXFKUXAXFCDA-HOCLYGCPSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[N@H+](C[C@@H](O)CC)[C@H](C)c1ccccc1 ZINC000440695539 388069495 /nfs/dbraw/zinc/06/94/95/388069495.db2.gz UZZXFKUXAXFCDA-ZBFHGGJFSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000440695627 388069763 /nfs/dbraw/zinc/06/97/63/388069763.db2.gz QZTUXOUQBYMQMB-CABCVRRESA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000440695629 388069164 /nfs/dbraw/zinc/06/91/64/388069164.db2.gz QZTUXOUQBYMQMB-GJZGRUSLSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000440695631 388069448 /nfs/dbraw/zinc/06/94/48/388069448.db2.gz QZTUXOUQBYMQMB-HUUCEWRRSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000440695632 388069719 /nfs/dbraw/zinc/06/97/19/388069719.db2.gz QZTUXOUQBYMQMB-LSDHHAIUSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000440696148 388064616 /nfs/dbraw/zinc/06/46/16/388064616.db2.gz SBFHMWOGZUZAKK-CMPLNLGQSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000440696150 388064719 /nfs/dbraw/zinc/06/47/19/388064719.db2.gz SBFHMWOGZUZAKK-JQWIXIFHSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000440696151 388065683 /nfs/dbraw/zinc/06/56/83/388065683.db2.gz SBFHMWOGZUZAKK-PWSUYJOCSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000440696154 388065305 /nfs/dbraw/zinc/06/53/05/388065305.db2.gz SBFHMWOGZUZAKK-ZYHUDNBSSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000440696328 388069740 /nfs/dbraw/zinc/06/97/40/388069740.db2.gz XAAJJUMMSYSDRU-NEPJUHHUSA-N 1 0 241.375 3.942 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000440696329 388069707 /nfs/dbraw/zinc/06/97/07/388069707.db2.gz XAAJJUMMSYSDRU-NWDGAFQWSA-N 1 0 241.375 3.942 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000440696330 388068995 /nfs/dbraw/zinc/06/89/95/388068995.db2.gz XAAJJUMMSYSDRU-RYUDHWBXSA-N 1 0 241.375 3.942 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000440696331 388069462 /nfs/dbraw/zinc/06/94/62/388069462.db2.gz XAAJJUMMSYSDRU-VXGBXAGGSA-N 1 0 241.375 3.942 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000440698342 388069397 /nfs/dbraw/zinc/06/93/97/388069397.db2.gz OOAJUAHNBALCCD-GXTWGEPZSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000440698343 388068838 /nfs/dbraw/zinc/06/88/38/388068838.db2.gz OOAJUAHNBALCCD-JSGCOSHPSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000440698344 206080366 /nfs/dbraw/zinc/08/03/66/206080366.db2.gz OOAJUAHNBALCCD-OCCSQVGLSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000440698345 206079735 /nfs/dbraw/zinc/07/97/35/206079735.db2.gz OOAJUAHNBALCCD-TZMCWYRMSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](F)C[N@H+](CC(C)C)C1CCCC1 ZINC000440698950 388069071 /nfs/dbraw/zinc/06/90/71/388069071.db2.gz RDUOXKCDYAWOKY-GFCCVEGCSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](CC(C)C)C1CCCC1 ZINC000440698952 388069268 /nfs/dbraw/zinc/06/92/68/388069268.db2.gz RDUOXKCDYAWOKY-LBPRGKRZSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000440700478 388069202 /nfs/dbraw/zinc/06/92/02/388069202.db2.gz GAMAMYASBBVPFX-CYBMUJFWSA-N 1 0 241.325 3.784 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000440700481 388069844 /nfs/dbraw/zinc/06/98/44/388069844.db2.gz GAMAMYASBBVPFX-ZDUSSCGKSA-N 1 0 241.325 3.784 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1cccs1)C(C)C ZINC000440701508 388070518 /nfs/dbraw/zinc/07/05/18/388070518.db2.gz AJQVOINFCATVSU-LLVKDONJSA-N 1 0 229.364 3.707 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1cccs1)C(C)C ZINC000440701511 201505641 /nfs/dbraw/zinc/50/56/41/201505641.db2.gz AJQVOINFCATVSU-NSHDSACASA-N 1 0 229.364 3.707 20 0 BHADRO CCCCC[N@H+](C[C@H](F)CC)C(C)C ZINC000440701764 388070558 /nfs/dbraw/zinc/07/05/58/388070558.db2.gz BMENUEIITRGNSW-GFCCVEGCSA-N 1 0 203.345 3.635 20 0 BHADRO CCCCC[N@H+](C[C@@H](F)CC)C(C)C ZINC000440701765 388071616 /nfs/dbraw/zinc/07/16/16/388071616.db2.gz BMENUEIITRGNSW-LBPRGKRZSA-N 1 0 203.345 3.635 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000440701804 206080431 /nfs/dbraw/zinc/08/04/31/206080431.db2.gz BPADZELZEXICNF-KBPBESRZSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000440701807 206080036 /nfs/dbraw/zinc/08/00/36/206080036.db2.gz BPADZELZEXICNF-KGLIPLIRSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000440701810 206080388 /nfs/dbraw/zinc/08/03/88/206080388.db2.gz BPADZELZEXICNF-UONOGXRCSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000440701812 206079936 /nfs/dbraw/zinc/07/99/36/206079936.db2.gz BPADZELZEXICNF-ZIAGYGMSSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@H](F)C[NH+]1CCC(c2ccccc2)CC1 ZINC000440702535 388071231 /nfs/dbraw/zinc/07/12/31/388071231.db2.gz OPUXLORSEKIQJY-HNNXBMFYSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](F)C[NH+]1CCC(c2ccccc2)CC1 ZINC000440702536 388070825 /nfs/dbraw/zinc/07/08/25/388070825.db2.gz OPUXLORSEKIQJY-OAHLLOKOSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000440702538 388070175 /nfs/dbraw/zinc/07/01/75/388070175.db2.gz ORXJLDAXRYTDNV-GHMZBOCLSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000440702539 388070992 /nfs/dbraw/zinc/07/09/92/388070992.db2.gz ORXJLDAXRYTDNV-MNOVXSKESA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000440702540 388070545 /nfs/dbraw/zinc/07/05/45/388070545.db2.gz ORXJLDAXRYTDNV-QWRGUYRKSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000440702541 388071196 /nfs/dbraw/zinc/07/11/96/388071196.db2.gz ORXJLDAXRYTDNV-WDEREUQCSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000440702574 388071731 /nfs/dbraw/zinc/07/17/31/388071731.db2.gz OZYJHRGMUSZJHK-CHWSQXEVSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000440702575 388070328 /nfs/dbraw/zinc/07/03/28/388070328.db2.gz OZYJHRGMUSZJHK-OLZOCXBDSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000440702576 388071401 /nfs/dbraw/zinc/07/14/01/388071401.db2.gz OZYJHRGMUSZJHK-QWHCGFSZSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000440702577 388071269 /nfs/dbraw/zinc/07/12/69/388071269.db2.gz OZYJHRGMUSZJHK-STQMWFEESA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000440703373 388071521 /nfs/dbraw/zinc/07/15/21/388071521.db2.gz MNYDYUSWEAUGMN-GFCCVEGCSA-N 1 0 239.309 3.538 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000440703374 388071554 /nfs/dbraw/zinc/07/15/54/388071554.db2.gz MNYDYUSWEAUGMN-LBPRGKRZSA-N 1 0 239.309 3.538 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000440703393 386086767 /nfs/dbraw/zinc/08/67/67/386086767.db2.gz HJYFGHJNHSNOLC-NEPJUHHUSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000440703394 386086700 /nfs/dbraw/zinc/08/67/00/386086700.db2.gz HJYFGHJNHSNOLC-NWDGAFQWSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000440703395 386087220 /nfs/dbraw/zinc/08/72/20/386087220.db2.gz HJYFGHJNHSNOLC-RYUDHWBXSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000440703396 386087235 /nfs/dbraw/zinc/08/72/35/386087235.db2.gz HJYFGHJNHSNOLC-VXGBXAGGSA-N 1 0 227.348 3.633 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCc2sccc2[C@H]1CC ZINC000440703453 386092073 /nfs/dbraw/zinc/09/20/73/386092073.db2.gz IFHNWIXCMLCWKW-CMPLNLGQSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000440703454 386090876 /nfs/dbraw/zinc/09/08/76/386090876.db2.gz IFHNWIXCMLCWKW-JQWIXIFHSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000440703455 386091638 /nfs/dbraw/zinc/09/16/38/386091638.db2.gz IFHNWIXCMLCWKW-PWSUYJOCSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCc2sccc2[C@H]1CC ZINC000440703456 386091424 /nfs/dbraw/zinc/09/14/24/386091424.db2.gz IFHNWIXCMLCWKW-ZYHUDNBSSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000440703481 386093074 /nfs/dbraw/zinc/09/30/74/386093074.db2.gz IKHVQBZPIQYLLI-CYBMUJFWSA-N 1 0 241.325 3.784 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000440703482 386093144 /nfs/dbraw/zinc/09/31/44/386093144.db2.gz IKHVQBZPIQYLLI-ZDUSSCGKSA-N 1 0 241.325 3.784 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000440704336 388071645 /nfs/dbraw/zinc/07/16/45/388071645.db2.gz VATUQKJVPUNYJA-NEPJUHHUSA-N 1 0 225.307 3.555 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000440704337 388071340 /nfs/dbraw/zinc/07/13/40/388071340.db2.gz VATUQKJVPUNYJA-NWDGAFQWSA-N 1 0 225.307 3.555 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000440704338 388070760 /nfs/dbraw/zinc/07/07/60/388070760.db2.gz VATUQKJVPUNYJA-RYUDHWBXSA-N 1 0 225.307 3.555 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000440704339 388070445 /nfs/dbraw/zinc/07/04/45/388070445.db2.gz VATUQKJVPUNYJA-VXGBXAGGSA-N 1 0 225.307 3.555 20 0 BHADRO CC[C@@H](F)C[N@H+](CC1CC1)C1CCCCC1 ZINC000440704391 388071176 /nfs/dbraw/zinc/07/11/76/388071176.db2.gz VOBIFRSDUVVUNF-CYBMUJFWSA-N 1 0 227.367 3.779 20 0 BHADRO CC[C@H](F)C[N@H+](CC1CC1)C1CCCCC1 ZINC000440704392 388071500 /nfs/dbraw/zinc/07/15/00/388071500.db2.gz VOBIFRSDUVVUNF-ZDUSSCGKSA-N 1 0 227.367 3.779 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000440704435 388071662 /nfs/dbraw/zinc/07/16/62/388071662.db2.gz VZCXPDFJFOSJBC-AAEUAGOBSA-N 1 0 241.325 3.957 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000440704436 388071102 /nfs/dbraw/zinc/07/11/02/388071102.db2.gz VZCXPDFJFOSJBC-DGCLKSJQSA-N 1 0 241.325 3.957 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000440704437 388071157 /nfs/dbraw/zinc/07/11/57/388071157.db2.gz VZCXPDFJFOSJBC-WCQYABFASA-N 1 0 241.325 3.957 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000440704440 388071570 /nfs/dbraw/zinc/07/15/70/388071570.db2.gz VZCXPDFJFOSJBC-YPMHNXCESA-N 1 0 241.325 3.957 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000440705398 387674467 /nfs/dbraw/zinc/67/44/67/387674467.db2.gz ZHFYRQVZMIJSMT-GXSJLCMTSA-N 1 0 245.288 3.706 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000440705399 387674029 /nfs/dbraw/zinc/67/40/29/387674029.db2.gz ZHFYRQVZMIJSMT-KOLCDFICSA-N 1 0 245.288 3.706 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000440705400 387673791 /nfs/dbraw/zinc/67/37/91/387673791.db2.gz ZHFYRQVZMIJSMT-MWLCHTKSSA-N 1 0 245.288 3.706 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000440705402 387675187 /nfs/dbraw/zinc/67/51/87/387675187.db2.gz ZHFYRQVZMIJSMT-ONGXEEELSA-N 1 0 245.288 3.706 20 0 BHADRO CC[C@H](F)C[N@H+](CC)Cc1ccccc1C ZINC000440705927 387675547 /nfs/dbraw/zinc/67/55/47/387675547.db2.gz QJNGWMCQIMABTB-AWEZNQCLSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)Cc1ccccc1C ZINC000440705928 387675944 /nfs/dbraw/zinc/67/59/44/387675944.db2.gz QJNGWMCQIMABTB-CQSZACIVSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000440706854 387674448 /nfs/dbraw/zinc/67/44/48/387674448.db2.gz STFOWISGMXHIEG-KBPBESRZSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000440706856 387674677 /nfs/dbraw/zinc/67/46/77/387674677.db2.gz STFOWISGMXHIEG-KGLIPLIRSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000440706857 387674240 /nfs/dbraw/zinc/67/42/40/387674240.db2.gz STFOWISGMXHIEG-UONOGXRCSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000440706859 201509464 /nfs/dbraw/zinc/50/94/64/201509464.db2.gz STFOWISGMXHIEG-ZIAGYGMSSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1ccccc1)C(C)C ZINC000440706939 387673894 /nfs/dbraw/zinc/67/38/94/387673894.db2.gz WAVNEDMDVXWSGM-AWEZNQCLSA-N 1 0 223.335 3.645 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1ccccc1)C(C)C ZINC000440706940 387674018 /nfs/dbraw/zinc/67/40/18/387674018.db2.gz WAVNEDMDVXWSGM-CQSZACIVSA-N 1 0 223.335 3.645 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000440707098 387673917 /nfs/dbraw/zinc/67/39/17/387673917.db2.gz WTZFRZJXKRBRNG-GXTWGEPZSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000440707099 387673942 /nfs/dbraw/zinc/67/39/42/387673942.db2.gz WTZFRZJXKRBRNG-JSGCOSHPSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000440707100 387675483 /nfs/dbraw/zinc/67/54/83/387675483.db2.gz WTZFRZJXKRBRNG-OCCSQVGLSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000440707101 387675328 /nfs/dbraw/zinc/67/53/28/387675328.db2.gz WTZFRZJXKRBRNG-TZMCWYRMSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](F)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000440707812 201507402 /nfs/dbraw/zinc/50/74/02/201507402.db2.gz YKNZCUYWUKHFIQ-AWEZNQCLSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@@H](F)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000440707813 201508111 /nfs/dbraw/zinc/50/81/11/201508111.db2.gz YKNZCUYWUKHFIQ-CQSZACIVSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000440709077 387676786 /nfs/dbraw/zinc/67/67/86/387676786.db2.gz HTBFVSTZLKRXGZ-CABCVRRESA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000440709079 387677802 /nfs/dbraw/zinc/67/78/02/387677802.db2.gz HTBFVSTZLKRXGZ-GJZGRUSLSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000440709082 388067429 /nfs/dbraw/zinc/06/74/29/388067429.db2.gz HTBFVSTZLKRXGZ-HUUCEWRRSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000440709084 388066471 /nfs/dbraw/zinc/06/64/71/388066471.db2.gz HTBFVSTZLKRXGZ-LSDHHAIUSA-N 1 0 235.346 3.880 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000440709415 387678201 /nfs/dbraw/zinc/67/82/01/387678201.db2.gz IUVUJJFMMQTCPQ-GXTWGEPZSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000440709417 387677761 /nfs/dbraw/zinc/67/77/61/387677761.db2.gz IUVUJJFMMQTCPQ-JSGCOSHPSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000440709418 388065151 /nfs/dbraw/zinc/06/51/51/388065151.db2.gz IUVUJJFMMQTCPQ-OCCSQVGLSA-N 1 0 223.335 3.736 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000440709420 388065070 /nfs/dbraw/zinc/06/50/70/388065070.db2.gz IUVUJJFMMQTCPQ-TZMCWYRMSA-N 1 0 223.335 3.736 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](F)CC ZINC000440709929 387676672 /nfs/dbraw/zinc/67/66/72/387676672.db2.gz DXYSFDGIZLGJBL-CYBMUJFWSA-N 1 0 241.325 3.786 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](F)CC ZINC000440709930 387676881 /nfs/dbraw/zinc/67/68/81/387676881.db2.gz DXYSFDGIZLGJBL-ZDUSSCGKSA-N 1 0 241.325 3.786 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000440710829 387676601 /nfs/dbraw/zinc/67/66/01/387676601.db2.gz CWGYAHYPJKHSCK-GFCCVEGCSA-N 1 0 239.309 3.538 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000440710831 387678878 /nfs/dbraw/zinc/67/88/78/387678878.db2.gz CWGYAHYPJKHSCK-LBPRGKRZSA-N 1 0 239.309 3.538 20 0 BHADRO CC[C@@H](F)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000440712296 386104001 /nfs/dbraw/zinc/10/40/01/386104001.db2.gz LSAPJJPFHJBDMV-GFCCVEGCSA-N 1 0 229.726 3.520 20 0 BHADRO CC[C@H](F)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000440712297 386103128 /nfs/dbraw/zinc/10/31/28/386103128.db2.gz LSAPJJPFHJBDMV-LBPRGKRZSA-N 1 0 229.726 3.520 20 0 BHADRO CC[C@H](F)C[N@H+](C)CCCCc1ccccc1 ZINC000440715281 387681050 /nfs/dbraw/zinc/68/10/50/387681050.db2.gz WMOSYCGZVPSTHJ-HNNXBMFYSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@@H](F)C[N@H+](C)CCCCc1ccccc1 ZINC000440715282 387681210 /nfs/dbraw/zinc/68/12/10/387681210.db2.gz WMOSYCGZVPSTHJ-OAHLLOKOSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000440716539 387681975 /nfs/dbraw/zinc/68/19/75/387681975.db2.gz VSORAVILRJGLQG-CFVMTHIKSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000440716540 387681839 /nfs/dbraw/zinc/68/18/39/387681839.db2.gz VSORAVILRJGLQG-QEJZJMRPSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000440716541 387682110 /nfs/dbraw/zinc/68/21/10/387682110.db2.gz VSORAVILRJGLQG-SNPRPXQTSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000440716542 387681319 /nfs/dbraw/zinc/68/13/19/387681319.db2.gz VSORAVILRJGLQG-YUELXQCFSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000440716727 387680469 /nfs/dbraw/zinc/68/04/69/387680469.db2.gz QYKRIWIVNHIINI-AWEZNQCLSA-N 1 0 235.346 3.708 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000440716738 387681524 /nfs/dbraw/zinc/68/15/24/387681524.db2.gz QYKRIWIVNHIINI-CQSZACIVSA-N 1 0 235.346 3.708 20 0 BHADRO CC[C@@H](F)CN(C)[C@H](C)c1ccccc1F ZINC000440717042 386111086 /nfs/dbraw/zinc/11/10/86/386111086.db2.gz UHCMGNYTIQFSDB-GHMZBOCLSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@H](F)CN(C)[C@H](C)c1ccccc1F ZINC000440717044 386111270 /nfs/dbraw/zinc/11/12/70/386111270.db2.gz UHCMGNYTIQFSDB-MNOVXSKESA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@H](F)CN(C)[C@@H](C)c1ccccc1F ZINC000440717045 386111901 /nfs/dbraw/zinc/11/19/01/386111901.db2.gz UHCMGNYTIQFSDB-QWRGUYRKSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@@H](F)CN(C)[C@@H](C)c1ccccc1F ZINC000440717047 386110929 /nfs/dbraw/zinc/11/09/29/386110929.db2.gz UHCMGNYTIQFSDB-WDEREUQCSA-N 1 0 227.298 3.567 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000440719091 387682035 /nfs/dbraw/zinc/68/20/35/387682035.db2.gz ZHUYRUBMVASIPD-KBPBESRZSA-N 1 0 225.351 3.557 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000440719096 387679909 /nfs/dbraw/zinc/67/99/09/387679909.db2.gz ZHUYRUBMVASIPD-KGLIPLIRSA-N 1 0 225.351 3.557 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000440719099 387680926 /nfs/dbraw/zinc/68/09/26/387680926.db2.gz ZHUYRUBMVASIPD-UONOGXRCSA-N 1 0 225.351 3.557 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000440719102 387680603 /nfs/dbraw/zinc/68/06/03/387680603.db2.gz ZHUYRUBMVASIPD-ZIAGYGMSSA-N 1 0 225.351 3.557 20 0 BHADRO CC[C@@H](F)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000440719485 387679941 /nfs/dbraw/zinc/67/99/41/387679941.db2.gz XYWAWHOCGDQUDI-GFCCVEGCSA-N 1 0 239.334 3.772 20 0 BHADRO CC[C@H](F)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000440719487 387683110 /nfs/dbraw/zinc/68/31/10/387683110.db2.gz XYWAWHOCGDQUDI-LBPRGKRZSA-N 1 0 239.334 3.772 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC12CCCCC2 ZINC000440771363 387690493 /nfs/dbraw/zinc/69/04/93/387690493.db2.gz QSEAUFYXJWWWTL-GFCCVEGCSA-N 1 0 213.340 3.533 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC12CCCCC2 ZINC000440771364 387690724 /nfs/dbraw/zinc/69/07/24/387690724.db2.gz QSEAUFYXJWWWTL-LBPRGKRZSA-N 1 0 213.340 3.533 20 0 BHADRO CC[C@@H](F)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000440772929 201517348 /nfs/dbraw/zinc/51/73/48/201517348.db2.gz WHRHXTSDYKKLCI-LLVKDONJSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000440772931 387688207 /nfs/dbraw/zinc/68/82/07/387688207.db2.gz WHRHXTSDYKKLCI-NSHDSACASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000440775773 386152101 /nfs/dbraw/zinc/15/21/01/386152101.db2.gz PJMKFWXYPQXCLD-CYBMUJFWSA-N 1 0 235.346 3.528 20 0 BHADRO CC[C@H](F)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000440776039 386146743 /nfs/dbraw/zinc/14/67/43/386146743.db2.gz PJMKFWXYPQXCLD-ZDUSSCGKSA-N 1 0 235.346 3.528 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](F)CC ZINC000440776133 387693693 /nfs/dbraw/zinc/69/36/93/387693693.db2.gz QFUAZRMAHYAAOU-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](F)CC ZINC000440776134 387693407 /nfs/dbraw/zinc/69/34/07/387693407.db2.gz QFUAZRMAHYAAOU-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](F)CC ZINC000440776135 387694783 /nfs/dbraw/zinc/69/47/83/387694783.db2.gz QFUAZRMAHYAAOU-XQQFMLRXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](F)CC ZINC000440776136 387693200 /nfs/dbraw/zinc/69/32/00/387693200.db2.gz QFUAZRMAHYAAOU-YNEHKIRRSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)C1CCC(CC)CC1 ZINC000440776499 387694326 /nfs/dbraw/zinc/69/43/26/387694326.db2.gz CKKPRKDUWHISQX-CPCZMJQVSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[N@H+](C)C1CCC(CC)CC1 ZINC000440776501 387694656 /nfs/dbraw/zinc/69/46/56/387694656.db2.gz CKKPRKDUWHISQX-OTTFEQOBSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000440777227 387692716 /nfs/dbraw/zinc/69/27/16/387692716.db2.gz XYLQPGVGEZEEFQ-CABCVRRESA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000440777228 387693168 /nfs/dbraw/zinc/69/31/68/387693168.db2.gz XYLQPGVGEZEEFQ-GJZGRUSLSA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000440777229 387693395 /nfs/dbraw/zinc/69/33/95/387693395.db2.gz XYLQPGVGEZEEFQ-HUUCEWRRSA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000440777230 387693368 /nfs/dbraw/zinc/69/33/68/387693368.db2.gz XYLQPGVGEZEEFQ-LSDHHAIUSA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@H](F)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000440778194 387692644 /nfs/dbraw/zinc/69/26/44/387692644.db2.gz AQFZUEQKXJOKEV-BBRMVZONSA-N 1 0 247.357 3.886 20 0 BHADRO CC[C@@H](F)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000440778195 201516837 /nfs/dbraw/zinc/51/68/37/201516837.db2.gz AQFZUEQKXJOKEV-CJNGLKHVSA-N 1 0 247.357 3.886 20 0 BHADRO CC[C@@H](F)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000440778196 387693578 /nfs/dbraw/zinc/69/35/78/387693578.db2.gz AQFZUEQKXJOKEV-CZUORRHYSA-N 1 0 247.357 3.886 20 0 BHADRO CC[C@H](F)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000440778197 387694307 /nfs/dbraw/zinc/69/43/07/387694307.db2.gz AQFZUEQKXJOKEV-XJKSGUPXSA-N 1 0 247.357 3.886 20 0 BHADRO CCc1ccc([C@@H]2CCC[N@H+]2C[C@@H](F)CC)o1 ZINC000440779150 387697545 /nfs/dbraw/zinc/69/75/45/387697545.db2.gz DDXGRESQIGQPPK-AAEUAGOBSA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@H]2CCC[N@H+]2C[C@H](F)CC)o1 ZINC000440779152 387697407 /nfs/dbraw/zinc/69/74/07/387697407.db2.gz DDXGRESQIGQPPK-DGCLKSJQSA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@H]2CCC[N@H+]2C[C@@H](F)CC)o1 ZINC000440779153 387696786 /nfs/dbraw/zinc/69/67/86/387696786.db2.gz DDXGRESQIGQPPK-WCQYABFASA-N 1 0 239.334 3.727 20 0 BHADRO CCc1ccc([C@@H]2CCC[N@H+]2C[C@H](F)CC)o1 ZINC000440779155 387696698 /nfs/dbraw/zinc/69/66/98/387696698.db2.gz DDXGRESQIGQPPK-YPMHNXCESA-N 1 0 239.334 3.727 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000440780034 387696631 /nfs/dbraw/zinc/69/66/31/387696631.db2.gz OYOBKYKIGQDLKG-DZGCQCFKSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000440780036 387696773 /nfs/dbraw/zinc/69/67/73/387696773.db2.gz OYOBKYKIGQDLKG-HIFRSBDPSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000440780037 387697468 /nfs/dbraw/zinc/69/74/68/387697468.db2.gz OYOBKYKIGQDLKG-UKRRQHHQSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000440780039 387695362 /nfs/dbraw/zinc/69/53/62/387695362.db2.gz OYOBKYKIGQDLKG-ZFWWWQNUSA-N 1 0 237.362 3.606 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000440782198 386157560 /nfs/dbraw/zinc/15/75/60/386157560.db2.gz NHVPIQKYJDZILK-AEGPPILISA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000440782199 386156171 /nfs/dbraw/zinc/15/61/71/386156171.db2.gz NHVPIQKYJDZILK-QEJZJMRPSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000440782202 386156652 /nfs/dbraw/zinc/15/66/52/386156652.db2.gz NHVPIQKYJDZILK-SNPRPXQTSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000440782205 386157264 /nfs/dbraw/zinc/15/72/64/386157264.db2.gz NHVPIQKYJDZILK-VHDGCEQUSA-N 1 0 235.346 3.613 20 0 BHADRO CC[C@@H](F)C[N@H+](C(C)C)C1CCCCC1 ZINC000440784018 387695466 /nfs/dbraw/zinc/69/54/66/387695466.db2.gz ZHQSMBIYWKUBSL-GFCCVEGCSA-N 1 0 215.356 3.778 20 0 BHADRO CC[C@H](F)C[N@H+](C(C)C)C1CCCCC1 ZINC000440784019 387686408 /nfs/dbraw/zinc/68/64/08/387686408.db2.gz ZHQSMBIYWKUBSL-LBPRGKRZSA-N 1 0 215.356 3.778 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000440784843 387697210 /nfs/dbraw/zinc/69/72/10/387697210.db2.gz JAYVZEBNQGGCBA-AAEUAGOBSA-N 1 0 239.334 3.523 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000440784844 387697234 /nfs/dbraw/zinc/69/72/34/387697234.db2.gz JAYVZEBNQGGCBA-DGCLKSJQSA-N 1 0 239.334 3.523 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000440784845 387697121 /nfs/dbraw/zinc/69/71/21/387697121.db2.gz JAYVZEBNQGGCBA-WCQYABFASA-N 1 0 239.334 3.523 20 0 BHADRO CC[C@H](F)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000440784846 387695604 /nfs/dbraw/zinc/69/56/04/387695604.db2.gz JAYVZEBNQGGCBA-YPMHNXCESA-N 1 0 239.334 3.523 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000440785930 387697002 /nfs/dbraw/zinc/69/70/02/387697002.db2.gz RJVIBNMTVWLUCR-CABCVRRESA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000440785932 387697525 /nfs/dbraw/zinc/69/75/25/387697525.db2.gz RJVIBNMTVWLUCR-GJZGRUSLSA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000440785933 387695642 /nfs/dbraw/zinc/69/56/42/387695642.db2.gz RJVIBNMTVWLUCR-HUUCEWRRSA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](F)CC ZINC000440785935 387696572 /nfs/dbraw/zinc/69/65/72/387696572.db2.gz RJVIBNMTVWLUCR-LSDHHAIUSA-N 1 0 237.362 3.688 20 0 BHADRO CCC(CC)[C@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000440787773 387700676 /nfs/dbraw/zinc/70/06/76/387700676.db2.gz XGVMUFRARLOCDA-HOTGVXAUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000440787774 387699149 /nfs/dbraw/zinc/69/91/49/387699149.db2.gz XGVMUFRARLOCDA-JKSUJKDBSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@@H](F)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000440792031 387698904 /nfs/dbraw/zinc/69/89/04/387698904.db2.gz KLWGRKKTVNTHJA-GFCCVEGCSA-N 1 0 235.302 3.613 20 0 BHADRO CC[C@H](F)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000440792032 387700464 /nfs/dbraw/zinc/70/04/64/387700464.db2.gz KLWGRKKTVNTHJA-LBPRGKRZSA-N 1 0 235.302 3.613 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000440794851 387702925 /nfs/dbraw/zinc/70/29/25/387702925.db2.gz CPYCCRJVNGDXOP-CHWSQXEVSA-N 1 0 239.334 3.863 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000440794852 387701140 /nfs/dbraw/zinc/70/11/40/387701140.db2.gz CPYCCRJVNGDXOP-OLZOCXBDSA-N 1 0 239.334 3.863 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000440794853 387702405 /nfs/dbraw/zinc/70/24/05/387702405.db2.gz CPYCCRJVNGDXOP-QWHCGFSZSA-N 1 0 239.334 3.863 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000440794854 387702384 /nfs/dbraw/zinc/70/23/84/387702384.db2.gz CPYCCRJVNGDXOP-STQMWFEESA-N 1 0 239.334 3.863 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000440796901 387702175 /nfs/dbraw/zinc/70/21/75/387702175.db2.gz XRZHQUCAOFHVEX-AGIUHOORSA-N 1 0 239.334 3.801 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000440796902 387701543 /nfs/dbraw/zinc/70/15/43/387701543.db2.gz XRZHQUCAOFHVEX-AVGNSLFASA-N 1 0 239.334 3.801 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000440796903 387701558 /nfs/dbraw/zinc/70/15/58/387701558.db2.gz XRZHQUCAOFHVEX-FRRDWIJNSA-N 1 0 239.334 3.801 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000440796904 387703737 /nfs/dbraw/zinc/70/37/37/387703737.db2.gz XRZHQUCAOFHVEX-RWMBFGLXSA-N 1 0 239.334 3.801 20 0 BHADRO CC[C@H](F)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000440797021 387703254 /nfs/dbraw/zinc/70/32/54/387703254.db2.gz MPWRCPXWEHOWBR-INIZCTEOSA-N 1 0 247.357 3.832 20 0 BHADRO CC[C@@H](F)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000440797022 387702908 /nfs/dbraw/zinc/70/29/08/387702908.db2.gz MPWRCPXWEHOWBR-MRXNPFEDSA-N 1 0 247.357 3.832 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000440798957 387705065 /nfs/dbraw/zinc/70/50/65/387705065.db2.gz RKLWTUBQYSPMAA-CHWSQXEVSA-N 1 0 239.334 3.945 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000440798960 387705725 /nfs/dbraw/zinc/70/57/25/387705725.db2.gz RKLWTUBQYSPMAA-OLZOCXBDSA-N 1 0 239.334 3.945 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000440798962 201523658 /nfs/dbraw/zinc/52/36/58/201523658.db2.gz RKLWTUBQYSPMAA-QWHCGFSZSA-N 1 0 239.334 3.945 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000440798964 387705693 /nfs/dbraw/zinc/70/56/93/387705693.db2.gz RKLWTUBQYSPMAA-STQMWFEESA-N 1 0 239.334 3.945 20 0 BHADRO CCC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441082645 387728653 /nfs/dbraw/zinc/72/86/53/387728653.db2.gz AIWVTJAFMIWMSZ-AWEZNQCLSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441082646 387727623 /nfs/dbraw/zinc/72/76/23/387727623.db2.gz AIWVTJAFMIWMSZ-CQSZACIVSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CC1CCC1 ZINC000441181491 387730382 /nfs/dbraw/zinc/73/03/82/387730382.db2.gz ONNPKEOAWQSHQV-CYBMUJFWSA-N 1 0 235.396 3.857 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CC1CCC1 ZINC000441181503 387730844 /nfs/dbraw/zinc/73/08/44/387730844.db2.gz ONNPKEOAWQSHQV-ZDUSSCGKSA-N 1 0 235.396 3.857 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccccc1 ZINC000441182714 387735976 /nfs/dbraw/zinc/73/59/76/387735976.db2.gz VEUQGWIHDRXZQM-UHFFFAOYSA-N 1 0 219.372 3.945 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccccc1OC ZINC000441183196 387735091 /nfs/dbraw/zinc/73/50/91/387735091.db2.gz WCSDUOPGSUMARN-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO c1ccc(C2CC[NH+](CC3CCC3)CC2)cc1 ZINC000441187146 201542327 /nfs/dbraw/zinc/54/23/27/201542327.db2.gz YQPGWCBLFZTTPV-UHFFFAOYSA-N 1 0 229.367 3.666 20 0 BHADRO CC[N@@H+](Cc1ccccc1Cl)CC1CCC1 ZINC000441187223 387736092 /nfs/dbraw/zinc/73/60/92/387736092.db2.gz ZMWDNKRJVKKZJI-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CC2CCC2)cs1 ZINC000441187594 387734729 /nfs/dbraw/zinc/73/47/29/387734729.db2.gz HPDKJOBLVPQNPH-CYBMUJFWSA-N 1 0 221.369 3.685 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CC2CCC2)cs1 ZINC000441187596 387734972 /nfs/dbraw/zinc/73/49/72/387734972.db2.gz HPDKJOBLVPQNPH-ZDUSSCGKSA-N 1 0 221.369 3.685 20 0 BHADRO CCCCC[NH+](CCCCC)CC1(C)COC1 ZINC000441191525 201540457 /nfs/dbraw/zinc/54/04/57/201540457.db2.gz DZKJYMVYXJOYLN-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO COc1ccc([C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441192072 387734611 /nfs/dbraw/zinc/73/46/11/387734611.db2.gz CYCVFYYTEFBIMI-INIZCTEOSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccc([C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441192075 387733486 /nfs/dbraw/zinc/73/34/86/387733486.db2.gz CYCVFYYTEFBIMI-MRXNPFEDSA-N 1 0 245.366 3.632 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000441192904 387734076 /nfs/dbraw/zinc/73/40/76/387734076.db2.gz FHXBOQYASDHGIJ-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1cccc(OC)c1 ZINC000441194204 387733743 /nfs/dbraw/zinc/73/37/43/387733743.db2.gz YTILBLRTHXYLCD-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO c1ccc(CC[C@@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC000441197309 387735268 /nfs/dbraw/zinc/73/52/68/387735268.db2.gz FMBAOZNZCLIBNL-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CC[C@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC000441197310 387733373 /nfs/dbraw/zinc/73/33/73/387733373.db2.gz FMBAOZNZCLIBNL-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO C(C1CCC1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000441198486 387734290 /nfs/dbraw/zinc/73/42/90/387734290.db2.gz HKCIVGMACNEZNC-HNNXBMFYSA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCC1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000441198487 387734251 /nfs/dbraw/zinc/73/42/51/387734251.db2.gz HKCIVGMACNEZNC-OAHLLOKOSA-N 1 0 221.388 3.831 20 0 BHADRO CC[N@@H+](Cc1cccc(Cl)c1)CC1CCC1 ZINC000441198743 387734644 /nfs/dbraw/zinc/73/46/44/387734644.db2.gz NYLCCQHNPALTRI-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cccc(Cl)c1 ZINC000441200067 387736067 /nfs/dbraw/zinc/73/60/67/387736067.db2.gz LFEIVRIHNJFASN-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO C(C[N@H+](CC1CCCCC1)C1CC1)C1CC1 ZINC000441200336 387734563 /nfs/dbraw/zinc/73/45/63/387734563.db2.gz CKJAVXXBQFQZAT-UHFFFAOYSA-N 1 0 221.388 3.831 20 0 BHADRO CCC(CC)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441201659 387733659 /nfs/dbraw/zinc/73/36/59/387733659.db2.gz PDDDAQXIJUKQSY-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO C(C[N@@H+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000441201859 387735853 /nfs/dbraw/zinc/73/58/53/387735853.db2.gz GRNPYAWHPPLPHG-HNNXBMFYSA-N 1 0 221.388 3.831 20 0 BHADRO C(C[N@@H+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000441201860 387733794 /nfs/dbraw/zinc/73/37/94/387733794.db2.gz GRNPYAWHPPLPHG-OAHLLOKOSA-N 1 0 221.388 3.831 20 0 BHADRO c1ccc(CC[C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441202682 387734391 /nfs/dbraw/zinc/73/43/91/387734391.db2.gz HUBNQEGCGMEDFY-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CC[C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441202683 387735952 /nfs/dbraw/zinc/73/59/52/387735952.db2.gz HUBNQEGCGMEDFY-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO Fc1cccc(C[N@H+](CC2CCC2)C2CC2)c1 ZINC000441206680 201541567 /nfs/dbraw/zinc/54/15/67/201541567.db2.gz LWVPQXIFVKLQKC-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO c1cc2cc(CC[NH2+]C3CCCCC3)ccc2[nH]1 ZINC000441207757 387737640 /nfs/dbraw/zinc/73/76/40/387737640.db2.gz XJLBVUUGPOWOCG-UHFFFAOYSA-N 1 0 242.366 3.633 20 0 BHADRO C(C1CCC1)[N@H+](CC1CCCCC1)C1CC1 ZINC000441208707 387738808 /nfs/dbraw/zinc/73/88/08/387738808.db2.gz MNIJKNFVBLDCSH-UHFFFAOYSA-N 1 0 221.388 3.831 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000441213132 387736909 /nfs/dbraw/zinc/73/69/09/387736909.db2.gz VOPNYBUJQZURNR-INIZCTEOSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000441213133 387737651 /nfs/dbraw/zinc/73/76/51/387737651.db2.gz VOPNYBUJQZURNR-MRXNPFEDSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441213906 387738609 /nfs/dbraw/zinc/73/86/09/387738609.db2.gz ZNOHESDGGZECBE-INIZCTEOSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441213907 387737741 /nfs/dbraw/zinc/73/77/41/387737741.db2.gz ZNOHESDGGZECBE-MRXNPFEDSA-N 1 0 229.367 3.932 20 0 BHADRO Fc1cccc([C@@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441214779 387739106 /nfs/dbraw/zinc/73/91/06/387739106.db2.gz ZMPCLXFQOGXOIJ-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1cccc([C@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441214781 387739249 /nfs/dbraw/zinc/73/92/49/387739249.db2.gz ZMPCLXFQOGXOIJ-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO CC1CCC([N@H+](CCC2CC2)C2CC2)CC1 ZINC000441218822 387738310 /nfs/dbraw/zinc/73/83/10/387738310.db2.gz NVBZJZFYDVUABA-UHFFFAOYSA-N 1 0 221.388 3.830 20 0 BHADRO Cc1ccc(C)c(N(C)CCC2CC2)c1 ZINC000441219603 387737607 /nfs/dbraw/zinc/73/76/07/387737607.db2.gz YFZSPJZZMHWBET-UHFFFAOYSA-N 1 0 203.329 3.540 20 0 BHADRO CC1CCC([N@H+](CC2CCC2)C2CC2)CC1 ZINC000441219683 387739279 /nfs/dbraw/zinc/73/92/79/387739279.db2.gz QLRJXZJADSWHKU-UHFFFAOYSA-N 1 0 221.388 3.830 20 0 BHADRO Cc1ccc(C)c(N(C)CC2CCC2)c1 ZINC000441219978 387736997 /nfs/dbraw/zinc/73/69/97/387736997.db2.gz RWSGHQIGFNVOCE-UHFFFAOYSA-N 1 0 203.329 3.540 20 0 BHADRO Cc1cnc(C[N@H+](C2CC2)C2CCC(C)CC2)o1 ZINC000441219993 387738350 /nfs/dbraw/zinc/73/83/50/387738350.db2.gz SAABCQQCMGORNT-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441220147 387738497 /nfs/dbraw/zinc/73/84/97/387738497.db2.gz SIQAGMMUSZTWEE-CYBMUJFWSA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441220148 387739272 /nfs/dbraw/zinc/73/92/72/387739272.db2.gz SIQAGMMUSZTWEE-ZDUSSCGKSA-N 1 0 244.382 3.735 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC000441223362 387738918 /nfs/dbraw/zinc/73/89/18/387738918.db2.gz GYFUNVIDLQCAIZ-INIZCTEOSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC1CCC1 ZINC000441223365 387738104 /nfs/dbraw/zinc/73/81/04/387738104.db2.gz GYFUNVIDLQCAIZ-MRXNPFEDSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)CCC1CC1 ZINC000441226091 387738019 /nfs/dbraw/zinc/73/80/19/387738019.db2.gz NMMNZBXZTOJYOP-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCc2ccccc2C1 ZINC000441227125 387737663 /nfs/dbraw/zinc/73/76/63/387737663.db2.gz FMZZIJLBGQIHSC-UHFFFAOYSA-N 1 0 231.383 3.871 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441227931 387738220 /nfs/dbraw/zinc/73/82/20/387738220.db2.gz QNEITXWFTXCCJJ-CYBMUJFWSA-N 1 0 244.382 3.736 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441227934 387738087 /nfs/dbraw/zinc/73/80/87/387738087.db2.gz QNEITXWFTXCCJJ-ZDUSSCGKSA-N 1 0 244.382 3.736 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccoc1 ZINC000441228768 387737548 /nfs/dbraw/zinc/73/75/48/387737548.db2.gz JORZEMYAOVTGSH-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(F)c1)CC1CCC1 ZINC000441229941 387736967 /nfs/dbraw/zinc/73/69/67/387736967.db2.gz KRHYYAMWGBHMRG-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1ccc(C[N@@H+](CC2CCC2)C(C)C)o1 ZINC000441230408 387737223 /nfs/dbraw/zinc/73/72/23/387737223.db2.gz QDBOUCIIWZYNTI-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO CCC(C)(C)CC[N@H+](C)C1Cc2ccccc2C1 ZINC000441231258 201544331 /nfs/dbraw/zinc/54/43/31/201544331.db2.gz KQKAMTBDHYJPGZ-UHFFFAOYSA-N 1 0 245.410 3.912 20 0 BHADRO Fc1cccc(C[C@@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441231367 387739259 /nfs/dbraw/zinc/73/92/59/387739259.db2.gz WLFTWWFNQOJBQS-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(C[C@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441231369 387738245 /nfs/dbraw/zinc/73/82/45/387738245.db2.gz WLFTWWFNQOJBQS-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO c1coc(C[N@@H+](CC2CCC2)C2CCCC2)c1 ZINC000441232836 387737455 /nfs/dbraw/zinc/73/74/55/387737455.db2.gz OHTIHIJSUQRJKD-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO C[N@H+](CCCCc1ccccc1)CC1CCC1 ZINC000441240347 201543490 /nfs/dbraw/zinc/54/34/90/201543490.db2.gz QQCZHAKQMIMHJA-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC000441241093 387741189 /nfs/dbraw/zinc/74/11/89/387741189.db2.gz YFKMPQDONVJEFX-INIZCTEOSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC000441241097 387742272 /nfs/dbraw/zinc/74/22/72/387742272.db2.gz YFKMPQDONVJEFX-MRXNPFEDSA-N 1 0 229.367 3.932 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2CC2CCC2)c1 ZINC000441241513 387740560 /nfs/dbraw/zinc/74/05/60/387740560.db2.gz SQCLUEBHTSNGEM-GFCCVEGCSA-N 1 0 221.369 3.685 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2CC2CCC2)c1 ZINC000441241514 387739965 /nfs/dbraw/zinc/73/99/65/387739965.db2.gz SQCLUEBHTSNGEM-LBPRGKRZSA-N 1 0 221.369 3.685 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccco1 ZINC000441241530 387741743 /nfs/dbraw/zinc/74/17/43/387741743.db2.gz DIFGPNGQGDOZQZ-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1cnc(C)s1 ZINC000441241971 387740599 /nfs/dbraw/zinc/74/05/99/387740599.db2.gz 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BHADRO C[N@H+](CCC1CC1)[C@H]1CCc2ccc(F)cc21 ZINC000441252123 387742624 /nfs/dbraw/zinc/74/26/24/387742624.db2.gz FBWNGGOGNYJYEY-HNNXBMFYSA-N 1 0 233.330 3.545 20 0 BHADRO C[N@H+](CCC1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000441252124 387742387 /nfs/dbraw/zinc/74/23/87/387742387.db2.gz FBWNGGOGNYJYEY-OAHLLOKOSA-N 1 0 233.330 3.545 20 0 BHADRO COc1cccc([C@@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441252712 387740871 /nfs/dbraw/zinc/74/08/71/387740871.db2.gz WOQGFNATIVVYJJ-INIZCTEOSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc([C@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC000441252713 387742558 /nfs/dbraw/zinc/74/25/58/387742558.db2.gz WOQGFNATIVVYJJ-MRXNPFEDSA-N 1 0 245.366 3.632 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441257766 387742230 /nfs/dbraw/zinc/74/22/30/387742230.db2.gz PGBFQODTPKOBQK-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441257768 387742547 /nfs/dbraw/zinc/74/25/47/387742547.db2.gz PGBFQODTPKOBQK-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO 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VMQOICARKNONQL-KRWDZBQOSA-N 1 0 243.394 3.741 20 0 BHADRO c1ccc(C[C@H]2CCC[N@@H+](CCC3CC3)C2)cc1 ZINC000441316968 387743619 /nfs/dbraw/zinc/74/36/19/387743619.db2.gz VMQOICARKNONQL-QGZVFWFLSA-N 1 0 243.394 3.741 20 0 BHADRO C[N@H+](CCCc1ccc(Cl)cc1)C1CCC1 ZINC000441322034 398210205 /nfs/dbraw/zinc/21/02/05/398210205.db2.gz ICFLVDRSZZKYPE-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1scnc1C ZINC000441323701 386466191 /nfs/dbraw/zinc/46/61/91/386466191.db2.gz LGSCBSKBEAAQLQ-UHFFFAOYSA-N 1 0 240.416 3.710 20 0 BHADRO CCC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441325110 387748388 /nfs/dbraw/zinc/74/83/88/387748388.db2.gz PKIIICVHKMNKAO-UHFFFAOYSA-N 1 0 219.372 3.614 20 0 BHADRO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000441330725 387746848 /nfs/dbraw/zinc/74/68/48/387746848.db2.gz MJBIQXQCAJPKKN-UHFFFAOYSA-N 1 0 231.383 3.968 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)CC ZINC000441332795 387748225 /nfs/dbraw/zinc/74/82/25/387748225.db2.gz RBCAXZBIHMPGLM-HNNXBMFYSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH+](CC)CC ZINC000441332798 201545722 /nfs/dbraw/zinc/54/57/22/201545722.db2.gz RBCAXZBIHMPGLM-OAHLLOKOSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(C)C ZINC000441332981 387747223 /nfs/dbraw/zinc/74/72/23/387747223.db2.gz RMLITNIEWGMUTP-INIZCTEOSA-N 1 0 233.399 3.904 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(C)C ZINC000441332982 387747808 /nfs/dbraw/zinc/74/78/08/387747808.db2.gz RMLITNIEWGMUTP-MRXNPFEDSA-N 1 0 233.399 3.904 20 0 BHADRO CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000441338923 387748104 /nfs/dbraw/zinc/74/81/04/387748104.db2.gz LZHOEKQYVYWZPP-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000441338924 387746376 /nfs/dbraw/zinc/74/63/76/387746376.db2.gz LZHOEKQYVYWZPP-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000441338925 387746060 /nfs/dbraw/zinc/74/60/60/387746060.db2.gz LZHOEKQYVYWZPP-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000441338926 387748309 /nfs/dbraw/zinc/74/83/09/387748309.db2.gz LZHOEKQYVYWZPP-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000441342515 387747135 /nfs/dbraw/zinc/74/71/35/387747135.db2.gz SUGKESRMWONTJW-ILXRZTDVSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441342516 387748156 /nfs/dbraw/zinc/74/81/56/387748156.db2.gz SUGKESRMWONTJW-KKUMJFAQSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441342517 387748264 /nfs/dbraw/zinc/74/82/64/387748264.db2.gz SUGKESRMWONTJW-QLFBSQMISA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441342518 387747314 /nfs/dbraw/zinc/74/73/14/387747314.db2.gz SUGKESRMWONTJW-SOUVJXGZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441344332 387746668 /nfs/dbraw/zinc/74/66/68/387746668.db2.gz DVBFZEQVVBBCBG-CABCVRRESA-N 1 0 217.356 3.583 20 0 BHADRO CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441344334 387747604 /nfs/dbraw/zinc/74/76/04/387747604.db2.gz DVBFZEQVVBBCBG-GJZGRUSLSA-N 1 0 217.356 3.583 20 0 BHADRO CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441344336 387746209 /nfs/dbraw/zinc/74/62/09/387746209.db2.gz DVBFZEQVVBBCBG-HUUCEWRRSA-N 1 0 217.356 3.583 20 0 BHADRO CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441344337 387748259 /nfs/dbraw/zinc/74/82/59/387748259.db2.gz DVBFZEQVVBBCBG-LSDHHAIUSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441352246 386483356 /nfs/dbraw/zinc/48/33/56/386483356.db2.gz DVHMDUQKDAJWSO-HNNXBMFYSA-N 1 0 219.372 3.658 20 0 BHADRO CCC[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441352248 386482594 /nfs/dbraw/zinc/48/25/94/386482594.db2.gz DVHMDUQKDAJWSO-OAHLLOKOSA-N 1 0 219.372 3.658 20 0 BHADRO Cc1ccc(OCCC[N@@H+](C)C2CCC2)cc1C ZINC000441355656 387749805 /nfs/dbraw/zinc/74/98/05/387749805.db2.gz PXBAIRCYPNYIMT-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C(C)(C)C[N@@H+](C)CC(C)C)cc1 ZINC000441361514 387750565 /nfs/dbraw/zinc/75/05/65/387750565.db2.gz UBJUVPFRHZOTTK-UHFFFAOYSA-N 1 0 233.399 3.860 20 0 BHADRO C[N@H+](CCc1ccc2ccccc2c1)C1CCC1 ZINC000441369186 387754431 /nfs/dbraw/zinc/75/44/31/387754431.db2.gz CVMYWSMRIBHIBG-UHFFFAOYSA-N 1 0 239.362 3.867 20 0 BHADRO CC(C)COc1ccccc1C[N@H+](C)C1CCC1 ZINC000441373456 387752978 /nfs/dbraw/zinc/75/29/78/387752978.db2.gz RZRFDKBSNYMDSN-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441374579 387754259 /nfs/dbraw/zinc/75/42/59/387754259.db2.gz WEQLFQPMHXJPEW-CVEARBPZSA-N 1 0 231.383 3.973 20 0 BHADRO CCC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374580 387753873 /nfs/dbraw/zinc/75/38/73/387753873.db2.gz WEQLFQPMHXJPEW-HOTGVXAUSA-N 1 0 231.383 3.973 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441374581 387752738 /nfs/dbraw/zinc/75/27/38/387752738.db2.gz WEQLFQPMHXJPEW-HZPDHXFCSA-N 1 0 231.383 3.973 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374582 387753815 /nfs/dbraw/zinc/75/38/15/387753815.db2.gz WEQLFQPMHXJPEW-JKSUJKDBSA-N 1 0 231.383 3.973 20 0 BHADRO Cc1cccc(C)c1OCCC[N@@H+](C)C1CCC1 ZINC000441375486 386488222 /nfs/dbraw/zinc/48/82/22/386488222.db2.gz JARWLXLORYTSQI-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[N@H+](CCOC)CCC(C)(C)CC ZINC000441376598 387755178 /nfs/dbraw/zinc/75/51/78/387755178.db2.gz KPJIAHBCAYPWOQ-UHFFFAOYSA-N 1 0 229.408 3.561 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441377806 386499274 /nfs/dbraw/zinc/49/92/74/386499274.db2.gz BHACGAJFGDFRIT-KRWDZBQOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000441377810 386498606 /nfs/dbraw/zinc/49/86/06/386498606.db2.gz BHACGAJFGDFRIT-QGZVFWFLSA-N 1 0 243.394 3.802 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](CC1CCC1)C2 ZINC000441378707 387753526 /nfs/dbraw/zinc/75/35/26/387753526.db2.gz OFBORCJYSFGJTK-HNNXBMFYSA-N 1 0 219.372 3.609 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](CC1CCC1)C2 ZINC000441378708 387753002 /nfs/dbraw/zinc/75/30/02/387753002.db2.gz OFBORCJYSFGJTK-OAHLLOKOSA-N 1 0 219.372 3.609 20 0 BHADRO c1coc([C@@H]2CCCCC[N@H+]2CC2CCC2)c1 ZINC000441380390 387753686 /nfs/dbraw/zinc/75/36/86/387753686.db2.gz FWVATZPGLSZLEO-AWEZNQCLSA-N 1 0 233.355 3.997 20 0 BHADRO c1coc([C@H]2CCCCC[N@H+]2CC2CCC2)c1 ZINC000441380391 387752754 /nfs/dbraw/zinc/75/27/54/387752754.db2.gz FWVATZPGLSZLEO-CQSZACIVSA-N 1 0 233.355 3.997 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC000441380794 387752840 /nfs/dbraw/zinc/75/28/40/387752840.db2.gz HKIGXERCGUVXLB-KRWDZBQOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCC1CC1 ZINC000441380797 387753642 /nfs/dbraw/zinc/75/36/42/387753642.db2.gz HKIGXERCGUVXLB-QGZVFWFLSA-N 1 0 243.394 3.802 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](CC2CCC2)C1 ZINC000441384069 386504757 /nfs/dbraw/zinc/50/47/57/386504757.db2.gz MKPUCJMMOWBHKL-KRWDZBQOSA-N 1 0 243.394 3.840 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC2CCC2)C1 ZINC000441384070 386502971 /nfs/dbraw/zinc/50/29/71/386502971.db2.gz MKPUCJMMOWBHKL-QGZVFWFLSA-N 1 0 243.394 3.840 20 0 BHADRO C(C[N@@H+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000441385457 387752784 /nfs/dbraw/zinc/75/27/84/387752784.db2.gz ZWTLLDUZVGOQFU-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO CCC(C)(C)CC[N@H+](C)C1CCC(OC)CC1 ZINC000441387211 387753955 /nfs/dbraw/zinc/75/39/55/387753955.db2.gz RBRZKIBKNYYWPR-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000441389515 387757884 /nfs/dbraw/zinc/75/78/84/387757884.db2.gz VIGSEXPRIRFPRP-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000441389516 387758348 /nfs/dbraw/zinc/75/83/48/387758348.db2.gz VIGSEXPRIRFPRP-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000441389518 387756922 /nfs/dbraw/zinc/75/69/22/387756922.db2.gz VIGSEXPRIRFPRP-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000441389519 387756627 /nfs/dbraw/zinc/75/66/27/387756627.db2.gz VIGSEXPRIRFPRP-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000441389897 387756328 /nfs/dbraw/zinc/75/63/28/387756328.db2.gz XRMWJNAPYFKZKV-KRWDZBQOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000441389898 387756201 /nfs/dbraw/zinc/75/62/01/387756201.db2.gz XRMWJNAPYFKZKV-QGZVFWFLSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC000441390165 387756803 /nfs/dbraw/zinc/75/68/03/387756803.db2.gz YPVHSRJXNPQENA-KRWDZBQOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC1CCC1 ZINC000441390166 387756014 /nfs/dbraw/zinc/75/60/14/387756014.db2.gz YPVHSRJXNPQENA-QGZVFWFLSA-N 1 0 243.394 3.802 20 0 BHADRO CCC[N@H+](CCc1cccc(F)c1)CC1CCC1 ZINC000441392268 387757360 /nfs/dbraw/zinc/75/73/60/387757360.db2.gz BRUSFWAVMJPLHT-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO CCOC[C@H]1CCC[N@H+](CCC(C)(C)CC)C1 ZINC000441392484 387757379 /nfs/dbraw/zinc/75/73/79/387757379.db2.gz CDZCWWMNIQFFCG-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCOC[C@@H]1CCC[N@H+](CCC(C)(C)CC)C1 ZINC000441392486 387758103 /nfs/dbraw/zinc/75/81/03/387758103.db2.gz CDZCWWMNIQFFCG-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC1CCC1 ZINC000441393833 387757752 /nfs/dbraw/zinc/75/77/52/387757752.db2.gz NGFKUDVPNBJYFI-DOMZBBRYSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC1CCC1 ZINC000441393835 387758049 /nfs/dbraw/zinc/75/80/49/387758049.db2.gz NGFKUDVPNBJYFI-IUODEOHRSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC1CCC1 ZINC000441393836 387757457 /nfs/dbraw/zinc/75/74/57/387757457.db2.gz NGFKUDVPNBJYFI-SWLSCSKDSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC1CCC1 ZINC000441393838 387756559 /nfs/dbraw/zinc/75/65/59/387756559.db2.gz NGFKUDVPNBJYFI-WFASDCNBSA-N 1 0 247.357 3.804 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CC2CCC2)s1 ZINC000441394685 387755866 /nfs/dbraw/zinc/75/58/66/387755866.db2.gz PNXDHQKHQNREST-CYBMUJFWSA-N 1 0 235.396 3.994 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC2CCC2)s1 ZINC000441394687 387756520 /nfs/dbraw/zinc/75/65/20/387756520.db2.gz PNXDHQKHQNREST-ZDUSSCGKSA-N 1 0 235.396 3.994 20 0 BHADRO Fc1ccc(C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000441394754 387755913 /nfs/dbraw/zinc/75/59/13/387755913.db2.gz LVRIEZHQECAUQZ-UHFFFAOYSA-N 1 0 247.357 3.838 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1CCC1 ZINC000441394930 387758319 /nfs/dbraw/zinc/75/83/19/387758319.db2.gz PZPJARFVKRPQFQ-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1CCC1 ZINC000441394931 387757480 /nfs/dbraw/zinc/75/74/80/387757480.db2.gz PZPJARFVKRPQFQ-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1CCC1 ZINC000441394932 387757048 /nfs/dbraw/zinc/75/70/48/387757048.db2.gz PZPJARFVKRPQFQ-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1CCC1 ZINC000441394933 387756592 /nfs/dbraw/zinc/75/65/92/387756592.db2.gz PZPJARFVKRPQFQ-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](CCC2CC2)C1 ZINC000441395523 387755889 /nfs/dbraw/zinc/75/58/89/387755889.db2.gz RQJSAFYYRFABLI-KRWDZBQOSA-N 1 0 243.394 3.840 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](CCC2CC2)C1 ZINC000441395524 387757173 /nfs/dbraw/zinc/75/71/73/387757173.db2.gz RQJSAFYYRFABLI-QGZVFWFLSA-N 1 0 243.394 3.840 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC000441397348 387758341 /nfs/dbraw/zinc/75/83/41/387758341.db2.gz WFYRQWUDDXMOOM-GDBMZVCRSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)C1 ZINC000441397351 387758072 /nfs/dbraw/zinc/75/80/72/387758072.db2.gz WFYRQWUDDXMOOM-GOEBONIOSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC2CCC2)C1 ZINC000441397352 387756948 /nfs/dbraw/zinc/75/69/48/387756948.db2.gz WFYRQWUDDXMOOM-HOCLYGCPSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC000441397354 387758138 /nfs/dbraw/zinc/75/81/38/387758138.db2.gz WFYRQWUDDXMOOM-ZBFHGGJFSA-N 1 0 243.394 3.973 20 0 BHADRO Fc1cccc(CC[N@H+](CC2CCC2)C2CC2)c1 ZINC000441397789 387755876 /nfs/dbraw/zinc/75/58/76/387755876.db2.gz GJKDRDHJCWSEDG-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC000441398502 387756766 /nfs/dbraw/zinc/75/67/66/387756766.db2.gz SQSJYZRNBNQHSZ-GDBMZVCRSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC2CC2)C1 ZINC000441398504 387758201 /nfs/dbraw/zinc/75/82/01/387758201.db2.gz SQSJYZRNBNQHSZ-GOEBONIOSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC2CC2)C1 ZINC000441398506 201552219 /nfs/dbraw/zinc/55/22/19/201552219.db2.gz SQSJYZRNBNQHSZ-HOCLYGCPSA-N 1 0 243.394 3.973 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC000441398509 387756120 /nfs/dbraw/zinc/75/61/20/387756120.db2.gz SQSJYZRNBNQHSZ-ZBFHGGJFSA-N 1 0 243.394 3.973 20 0 BHADRO CCC[N@@H+](CCc1cccc(F)c1)CCC1CC1 ZINC000441399488 387758248 /nfs/dbraw/zinc/75/82/48/387758248.db2.gz XOMVCWYABZWZNA-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000441400243 387758170 /nfs/dbraw/zinc/75/81/70/387758170.db2.gz ZQCGJTAQTYEJEY-AWEZNQCLSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000441400245 387757846 /nfs/dbraw/zinc/75/78/46/387757846.db2.gz ZQCGJTAQTYEJEY-CQSZACIVSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000441400279 387757305 /nfs/dbraw/zinc/75/73/05/387757305.db2.gz ZURIEVODANMACP-AWEZNQCLSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000441400282 387757857 /nfs/dbraw/zinc/75/78/57/387757857.db2.gz ZURIEVODANMACP-CQSZACIVSA-N 1 0 209.377 3.545 20 0 BHADRO Clc1ccc([C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC000441400304 387757569 /nfs/dbraw/zinc/75/75/69/387757569.db2.gz DHQCOSAUFIPQON-AWEZNQCLSA-N 1 0 249.785 3.929 20 0 BHADRO Clc1ccc([C@@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC000441400305 387758410 /nfs/dbraw/zinc/75/84/10/387758410.db2.gz DHQCOSAUFIPQON-CQSZACIVSA-N 1 0 249.785 3.929 20 0 BHADRO Fc1ccc(C[N@H+](CCC2CC2)CC2CC2)cc1 ZINC000441403480 387756463 /nfs/dbraw/zinc/75/64/63/387756463.db2.gz QKFPJCCSEJQEGA-UHFFFAOYSA-N 1 0 247.357 3.838 20 0 BHADRO C(C1CCC1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000441403605 387757798 /nfs/dbraw/zinc/75/77/98/387757798.db2.gz LCOLDOJADBHNIA-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO Fc1ccc(CC[N@H+](CC2CCC2)C2CC2)cc1 ZINC000441408360 387756340 /nfs/dbraw/zinc/75/63/40/387756340.db2.gz WSSSCGVTAZYKOT-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000441431098 387761195 /nfs/dbraw/zinc/76/11/95/387761195.db2.gz BKQYNTZQOCDNNB-CVEARBPZSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000441431100 387760022 /nfs/dbraw/zinc/76/00/22/387760022.db2.gz BKQYNTZQOCDNNB-HOTGVXAUSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000441431103 387760091 /nfs/dbraw/zinc/76/00/91/387760091.db2.gz BKQYNTZQOCDNNB-HZPDHXFCSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000441431106 387758988 /nfs/dbraw/zinc/75/89/88/387758988.db2.gz BKQYNTZQOCDNNB-JKSUJKDBSA-N 1 0 229.367 3.760 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441433096 387760883 /nfs/dbraw/zinc/76/08/83/387760883.db2.gz FWGFPDUPJFURMB-DLBZAZTESA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441433098 387759152 /nfs/dbraw/zinc/75/91/52/387759152.db2.gz FWGFPDUPJFURMB-IAGOWNOFSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441433100 387761134 /nfs/dbraw/zinc/76/11/34/387761134.db2.gz FWGFPDUPJFURMB-IRXDYDNUSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441433101 387759083 /nfs/dbraw/zinc/75/90/83/387759083.db2.gz FWGFPDUPJFURMB-SJORKVTESA-N 1 0 243.394 3.884 20 0 BHADRO Cc1cccc([C@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000441433917 387759742 /nfs/dbraw/zinc/75/97/42/387759742.db2.gz ABHMUXFZLIDOPR-AEGPPILISA-N 1 0 229.367 3.644 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000441433922 387760538 /nfs/dbraw/zinc/76/05/38/387760538.db2.gz ABHMUXFZLIDOPR-YUELXQCFSA-N 1 0 229.367 3.644 20 0 BHADRO CCC(C)(C)CC[N@H+](C[C@@H](C)OC)C(C)C ZINC000441434367 387759396 /nfs/dbraw/zinc/75/93/96/387759396.db2.gz JOANNUAKGYIBRS-CYBMUJFWSA-N 1 0 229.408 3.558 20 0 BHADRO CCC(C)(C)CC[N@H+](C[C@H](C)OC)C(C)C ZINC000441434368 387761184 /nfs/dbraw/zinc/76/11/84/387761184.db2.gz JOANNUAKGYIBRS-ZDUSSCGKSA-N 1 0 229.408 3.558 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1c1ccccc1 ZINC000441434420 387760364 /nfs/dbraw/zinc/76/03/64/387760364.db2.gz KERKXOSEQHUUCD-PBHICJAKSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1c1ccccc1 ZINC000441434621 387760464 /nfs/dbraw/zinc/76/04/64/387760464.db2.gz KERKXOSEQHUUCD-RHSMWYFYSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1c1ccccc1 ZINC000441434622 387758919 /nfs/dbraw/zinc/75/89/19/387758919.db2.gz KERKXOSEQHUUCD-WMLDXEAASA-N 1 0 243.394 3.912 20 0 BHADRO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1c1ccccc1 ZINC000441434623 201551941 /nfs/dbraw/zinc/55/19/41/201551941.db2.gz KERKXOSEQHUUCD-YOEHRIQHSA-N 1 0 243.394 3.912 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441434741 201552087 /nfs/dbraw/zinc/55/20/87/201552087.db2.gz KSYNFMBCJNVZNL-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441434743 387760339 /nfs/dbraw/zinc/76/03/39/387760339.db2.gz KSYNFMBCJNVZNL-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441434744 387761075 /nfs/dbraw/zinc/76/10/75/387761075.db2.gz KSYNFMBCJNVZNL-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441434746 387759540 /nfs/dbraw/zinc/75/95/40/387759540.db2.gz KSYNFMBCJNVZNL-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1c1ccccc1 ZINC000441437726 387759767 /nfs/dbraw/zinc/75/97/67/387759767.db2.gz RGRZVXPIXDBPRS-PBHICJAKSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1c1ccccc1 ZINC000441437728 387760766 /nfs/dbraw/zinc/76/07/66/387760766.db2.gz RGRZVXPIXDBPRS-RHSMWYFYSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1c1ccccc1 ZINC000441437729 387758980 /nfs/dbraw/zinc/75/89/80/387758980.db2.gz RGRZVXPIXDBPRS-WMLDXEAASA-N 1 0 243.394 3.912 20 0 BHADRO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1c1ccccc1 ZINC000441437731 201551633 /nfs/dbraw/zinc/55/16/33/201551633.db2.gz RGRZVXPIXDBPRS-YOEHRIQHSA-N 1 0 243.394 3.912 20 0 BHADRO CC(C)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000441439152 387760034 /nfs/dbraw/zinc/76/00/34/387760034.db2.gz NTFUETILJWTDAG-UHFFFAOYSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C1CC[NH+](CC2CCCC2)CC1 ZINC000441443151 387759684 /nfs/dbraw/zinc/75/96/84/387759684.db2.gz DLBVUOSSZCNRQG-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441450160 387759206 /nfs/dbraw/zinc/75/92/06/387759206.db2.gz PJTVJKGIEVAQDI-CVEARBPZSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441450161 387759122 /nfs/dbraw/zinc/75/91/22/387759122.db2.gz PJTVJKGIEVAQDI-HOTGVXAUSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441450162 387760387 /nfs/dbraw/zinc/76/03/87/387760387.db2.gz PJTVJKGIEVAQDI-HZPDHXFCSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441450163 387759791 /nfs/dbraw/zinc/75/97/91/387759791.db2.gz PJTVJKGIEVAQDI-JKSUJKDBSA-N 1 0 229.367 3.760 20 0 BHADRO CC(C)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000441450590 387760852 /nfs/dbraw/zinc/76/08/52/387760852.db2.gz TUSHXBPMGDHCJG-UHFFFAOYSA-N 1 0 235.346 3.694 20 0 BHADRO C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000441451130 201553806 /nfs/dbraw/zinc/55/38/06/201553806.db2.gz MPNCVMMNULEFOM-CABCVRRESA-N 1 0 221.388 3.831 20 0 BHADRO C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000441451133 387761612 /nfs/dbraw/zinc/76/16/12/387761612.db2.gz MPNCVMMNULEFOM-GJZGRUSLSA-N 1 0 221.388 3.831 20 0 BHADRO C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)C1CCCC1 ZINC000441451136 387761754 /nfs/dbraw/zinc/76/17/54/387761754.db2.gz MPNCVMMNULEFOM-HUUCEWRRSA-N 1 0 221.388 3.831 20 0 BHADRO C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000441451139 387762018 /nfs/dbraw/zinc/76/20/18/387762018.db2.gz MPNCVMMNULEFOM-LSDHHAIUSA-N 1 0 221.388 3.831 20 0 BHADRO C1=C[C@@H]([N@H+](C[C@H]2CCCO2)C2CCCC2)CCC1 ZINC000441456485 387761954 /nfs/dbraw/zinc/76/19/54/387761954.db2.gz IUNBYAJPEJCWFO-GDBMZVCRSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@H]([N@H+](C[C@H]2CCCO2)C2CCCC2)CCC1 ZINC000441456486 387762754 /nfs/dbraw/zinc/76/27/54/387762754.db2.gz IUNBYAJPEJCWFO-GOEBONIOSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@H]([N@H+](C[C@@H]2CCCO2)C2CCCC2)CCC1 ZINC000441456487 387762101 /nfs/dbraw/zinc/76/21/01/387762101.db2.gz IUNBYAJPEJCWFO-HOCLYGCPSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@@H]([N@H+](C[C@@H]2CCCO2)C2CCCC2)CCC1 ZINC000441456488 387762650 /nfs/dbraw/zinc/76/26/50/387762650.db2.gz IUNBYAJPEJCWFO-ZBFHGGJFSA-N 1 0 249.398 3.519 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1CCCC1 ZINC000441457581 387761625 /nfs/dbraw/zinc/76/16/25/387761625.db2.gz ODZCTTIPMBAGJC-BPLDGKMQSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1CCCC1 ZINC000441457582 387761899 /nfs/dbraw/zinc/76/18/99/387761899.db2.gz ODZCTTIPMBAGJC-SNPRPXQTSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1CCCC1 ZINC000441457583 387763331 /nfs/dbraw/zinc/76/33/31/387763331.db2.gz ODZCTTIPMBAGJC-VHDGCEQUSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1CCCC1 ZINC000441457584 387762167 /nfs/dbraw/zinc/76/21/67/387762167.db2.gz ODZCTTIPMBAGJC-YUELXQCFSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000441458420 387763246 /nfs/dbraw/zinc/76/32/46/387763246.db2.gz SBVRHTSYDZOWQG-FVQBIDKESA-N 1 0 229.367 3.840 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000441458421 387762119 /nfs/dbraw/zinc/76/21/19/387762119.db2.gz SBVRHTSYDZOWQG-VNQPRFMTSA-N 1 0 229.367 3.840 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441462939 387762056 /nfs/dbraw/zinc/76/20/56/387762056.db2.gz JAJPKOKIXXJOMM-HZSPNIEDSA-N 1 0 209.377 3.830 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441462941 387763199 /nfs/dbraw/zinc/76/31/99/387763199.db2.gz JAJPKOKIXXJOMM-MCIONIFRSA-N 1 0 209.377 3.830 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441462943 387762663 /nfs/dbraw/zinc/76/26/63/387762663.db2.gz JAJPKOKIXXJOMM-MGPQQGTHSA-N 1 0 209.377 3.830 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441462946 201553820 /nfs/dbraw/zinc/55/38/20/201553820.db2.gz JAJPKOKIXXJOMM-RDBSUJKOSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC000441463147 387762141 /nfs/dbraw/zinc/76/21/41/387762141.db2.gz DSFVDOQRFRFWOO-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC000441463148 201554787 /nfs/dbraw/zinc/55/47/87/201554787.db2.gz DSFVDOQRFRFWOO-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC000441463150 387762876 /nfs/dbraw/zinc/76/28/76/387762876.db2.gz DSFVDOQRFRFWOO-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC000441463151 387763430 /nfs/dbraw/zinc/76/34/30/387763430.db2.gz DSFVDOQRFRFWOO-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1[C@@H]1C=CCCC1 ZINC000441463396 387762190 /nfs/dbraw/zinc/76/21/90/387762190.db2.gz FIRPOJJHBLZMCY-BARDWOONSA-N 1 0 219.372 3.748 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1[C@H]1C=CCCC1 ZINC000441463397 387761838 /nfs/dbraw/zinc/76/18/38/387761838.db2.gz FIRPOJJHBLZMCY-CBBWQLFWSA-N 1 0 219.372 3.748 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1[C@@H]1C=CCCC1 ZINC000441463398 387762617 /nfs/dbraw/zinc/76/26/17/387762617.db2.gz FIRPOJJHBLZMCY-LXTVHRRPSA-N 1 0 219.372 3.748 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1[C@H]1C=CCCC1 ZINC000441463399 387761697 /nfs/dbraw/zinc/76/16/97/387761697.db2.gz FIRPOJJHBLZMCY-QPSCCSFWSA-N 1 0 219.372 3.748 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(F)cc1 ZINC000441469040 201553354 /nfs/dbraw/zinc/55/33/54/201553354.db2.gz RRGAUHVNUYOBIA-INWMFGNUSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)cc1 ZINC000441469042 387763240 /nfs/dbraw/zinc/76/32/40/387763240.db2.gz RRGAUHVNUYOBIA-IVMMDQJWSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)cc1 ZINC000441469045 387763055 /nfs/dbraw/zinc/76/30/55/387763055.db2.gz RRGAUHVNUYOBIA-XNRPHZJLSA-N 1 0 247.357 3.979 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(F)cc1 ZINC000441469048 387763113 /nfs/dbraw/zinc/76/31/13/387763113.db2.gz RRGAUHVNUYOBIA-XPKDYRNWSA-N 1 0 247.357 3.979 20 0 BHADRO c1ccc(C[C@@H]2CCCC[N@H+]2CCC2CC2)cc1 ZINC000441474761 387762763 /nfs/dbraw/zinc/76/27/63/387762763.db2.gz MEOAGRXZDXLMRG-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(C[C@H]2CCCC[N@H+]2CCC2CC2)cc1 ZINC000441474762 387762587 /nfs/dbraw/zinc/76/25/87/387762587.db2.gz MEOAGRXZDXLMRG-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC000441480772 387765080 /nfs/dbraw/zinc/76/50/80/387765080.db2.gz VGEJQKCKWVXQGG-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC000441480773 387763855 /nfs/dbraw/zinc/76/38/55/387763855.db2.gz VGEJQKCKWVXQGG-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC000441480774 387764719 /nfs/dbraw/zinc/76/47/19/387764719.db2.gz VGEJQKCKWVXQGG-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC000441480775 387764886 /nfs/dbraw/zinc/76/48/86/387764886.db2.gz VGEJQKCKWVXQGG-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CC1CCC1)C1CC1 ZINC000441487215 387764440 /nfs/dbraw/zinc/76/44/40/387764440.db2.gz GCGUDHMTNTXJMD-NEPJUHHUSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CC1CCC1)C1CC1 ZINC000441487217 387764804 /nfs/dbraw/zinc/76/48/04/387764804.db2.gz GCGUDHMTNTXJMD-NWDGAFQWSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CC1CCC1)C1CC1 ZINC000441487218 387764418 /nfs/dbraw/zinc/76/44/18/387764418.db2.gz GCGUDHMTNTXJMD-RYUDHWBXSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CC1CCC1)C1CC1 ZINC000441487220 387764680 /nfs/dbraw/zinc/76/46/80/387764680.db2.gz GCGUDHMTNTXJMD-VXGBXAGGSA-N 1 0 209.377 3.686 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC000441490342 387764250 /nfs/dbraw/zinc/76/42/50/387764250.db2.gz QISPDSURHUUUDU-HNNXBMFYSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1CC1CCC1 ZINC000441490343 206080621 /nfs/dbraw/zinc/08/06/21/206080621.db2.gz QISPDSURHUUUDU-OAHLLOKOSA-N 1 0 245.366 3.632 20 0 BHADRO C(C1CCC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000441494033 201556648 /nfs/dbraw/zinc/55/66/48/201556648.db2.gz ZAOOXPFGUZSOFG-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO C(C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000441496114 387764932 /nfs/dbraw/zinc/76/49/32/387764932.db2.gz ZADHWUPTYGCDSS-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO C(C1CC1)[N@H+](CC1CCC1)C1CCCCC1 ZINC000441497372 387764471 /nfs/dbraw/zinc/76/44/71/387764471.db2.gz GGXYTGQOJXMLPP-UHFFFAOYSA-N 1 0 221.388 3.831 20 0 BHADRO c1ccc(C[C@@H]2CCCC[N@H+]2CC2CCC2)cc1 ZINC000441506172 387765548 /nfs/dbraw/zinc/76/55/48/387765548.db2.gz JUEVGDNMAGMAKC-KRWDZBQOSA-N 1 0 243.394 3.884 20 0 BHADRO c1ccc(C[C@H]2CCCC[N@H+]2CC2CCC2)cc1 ZINC000441506175 387764237 /nfs/dbraw/zinc/76/42/37/387764237.db2.gz JUEVGDNMAGMAKC-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO C(C[N@H+](CC1CC1)C1CCCCC1)C1CC1 ZINC000441507549 201556037 /nfs/dbraw/zinc/55/60/37/201556037.db2.gz WFHIQGFGPIDMSM-UHFFFAOYSA-N 1 0 221.388 3.831 20 0 BHADRO CC(C)C[N@H+](CC1CCC1)C1CCCC1 ZINC000441527158 387766620 /nfs/dbraw/zinc/76/66/20/387766620.db2.gz VWOCPCYJAGDWEI-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000441531487 387767071 /nfs/dbraw/zinc/76/70/71/387767071.db2.gz UKLOEGXEZFLXLZ-HNNXBMFYSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000441531495 387767048 /nfs/dbraw/zinc/76/70/48/387767048.db2.gz UKLOEGXEZFLXLZ-OAHLLOKOSA-N 1 0 229.367 3.584 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCC1CC1 ZINC000441539502 387770094 /nfs/dbraw/zinc/77/00/94/387770094.db2.gz BDGHCGCHHKXQKU-CYBMUJFWSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC000441539503 387769995 /nfs/dbraw/zinc/76/99/95/387769995.db2.gz BDGHCGCHHKXQKU-ZDUSSCGKSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)C[N@H+](CCC1CC1)Cc1ccccc1 ZINC000441541002 387769124 /nfs/dbraw/zinc/76/91/24/387769124.db2.gz DAVMXRHPOZDPDD-UHFFFAOYSA-N 1 0 231.383 3.945 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC1CCC1 ZINC000441542924 387768852 /nfs/dbraw/zinc/76/88/52/387768852.db2.gz MVMQRMNEYPHLLZ-CYBMUJFWSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC000441542925 387769816 /nfs/dbraw/zinc/76/98/16/387769816.db2.gz MVMQRMNEYPHLLZ-ZDUSSCGKSA-N 1 0 209.377 3.687 20 0 BHADRO CCCCC[N@H+](CC1(C)COC1)[C@@H](C)CCC ZINC000441544557 387768955 /nfs/dbraw/zinc/76/89/55/387768955.db2.gz UAYQPNVHBYPDBT-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](CC1(C)COC1)[C@H](C)CCC ZINC000441544558 387769490 /nfs/dbraw/zinc/76/94/90/387769490.db2.gz UAYQPNVHBYPDBT-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO C[N@H+](CCC1CCCCC1)CC1CCC1 ZINC000441545003 387769219 /nfs/dbraw/zinc/76/92/19/387769219.db2.gz KQMRMVCUEFUHHQ-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC(C)(C)CC[N@H+](C)C(C1CC1)C1CC1 ZINC000441547719 387769500 /nfs/dbraw/zinc/76/95/00/387769500.db2.gz QWSFZMNRJNWNRG-UHFFFAOYSA-N 1 0 223.404 3.933 20 0 BHADRO C[N@H+](CCC1CC1)CCC1CCCCC1 ZINC000441553983 387769602 /nfs/dbraw/zinc/76/96/02/387769602.db2.gz VMKXAENWDDXICO-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCSC ZINC000441632540 201559579 /nfs/dbraw/zinc/55/95/79/201559579.db2.gz HKKNPZFHEUTKEG-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCSC ZINC000441632541 387774203 /nfs/dbraw/zinc/77/42/03/387774203.db2.gz HKKNPZFHEUTKEG-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000441644328 387773830 /nfs/dbraw/zinc/77/38/30/387773830.db2.gz KMNFKVXGPXUSCB-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000441644329 387773949 /nfs/dbraw/zinc/77/39/49/387773949.db2.gz KMNFKVXGPXUSCB-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000441657495 397933185 /nfs/dbraw/zinc/93/31/85/397933185.db2.gz BAOQSTGPUAVAJM-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000441657796 397933099 /nfs/dbraw/zinc/93/30/99/397933099.db2.gz BAOQSTGPUAVAJM-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCOCCC(C)C)C1 ZINC000441821416 387780098 /nfs/dbraw/zinc/78/00/98/387780098.db2.gz YYRFSKRPUZJNIE-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCOCCC(C)C)C1 ZINC000441821419 387779363 /nfs/dbraw/zinc/77/93/63/387779363.db2.gz YYRFSKRPUZJNIE-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000441829958 387779167 /nfs/dbraw/zinc/77/91/67/387779167.db2.gz XNOVNDXJQAWWLJ-INIZCTEOSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000441829959 387779062 /nfs/dbraw/zinc/77/90/62/387779062.db2.gz XNOVNDXJQAWWLJ-MRXNPFEDSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H](F)CSCc1ccc(C)nc1C ZINC000442537848 387802012 /nfs/dbraw/zinc/80/20/12/387802012.db2.gz HIOJPNCBCSZTBN-GFCCVEGCSA-N 1 0 227.348 3.680 20 0 BHADRO CC[C@H](F)CSCc1ccc(C)nc1C ZINC000442537850 387801795 /nfs/dbraw/zinc/80/17/95/387801795.db2.gz HIOJPNCBCSZTBN-LBPRGKRZSA-N 1 0 227.348 3.680 20 0 BHADRO CC1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442632123 387809414 /nfs/dbraw/zinc/80/94/14/387809414.db2.gz ATEIEVCPXIENOV-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccco1 ZINC000442640001 387810781 /nfs/dbraw/zinc/81/07/81/387810781.db2.gz ZDCKUVIYSVECKG-KPPDAEKUSA-N 1 0 243.297 3.754 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccco1 ZINC000442640002 387809371 /nfs/dbraw/zinc/80/93/71/387809371.db2.gz ZDCKUVIYSVECKG-WHXUTIOJSA-N 1 0 243.297 3.754 20 0 BHADRO FC(F)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000442645086 387812390 /nfs/dbraw/zinc/81/23/90/387812390.db2.gz IFROTBBDIUFFNJ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442650794 387809780 /nfs/dbraw/zinc/80/97/80/387809780.db2.gz PMZNIRKSOIJKMQ-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442650797 387809332 /nfs/dbraw/zinc/80/93/32/387809332.db2.gz PMZNIRKSOIJKMQ-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442650799 387809555 /nfs/dbraw/zinc/80/95/55/387809555.db2.gz PMZNIRKSOIJKMQ-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442650802 201578383 /nfs/dbraw/zinc/57/83/83/201578383.db2.gz PMZNIRKSOIJKMQ-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO FC(F)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000442651413 387812127 /nfs/dbraw/zinc/81/21/27/387812127.db2.gz OQXBSVJIGIUEFR-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668023 201583553 /nfs/dbraw/zinc/58/35/53/201583553.db2.gz BBXBHXXQFNWQSA-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668024 387818986 /nfs/dbraw/zinc/81/89/86/387818986.db2.gz BBXBHXXQFNWQSA-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668025 386416978 /nfs/dbraw/zinc/41/69/78/386416978.db2.gz BBXBHXXQFNWQSA-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668026 386415157 /nfs/dbraw/zinc/41/51/57/386415157.db2.gz BBXBHXXQFNWQSA-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@H+]2CCC[C@H]2CCC(C)C)c1 ZINC000442668132 387818954 /nfs/dbraw/zinc/81/89/54/387818954.db2.gz BWRMWPZXELBJIK-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@H+]2CCC[C@@H]2CCC(C)C)c1 ZINC000442668133 387818842 /nfs/dbraw/zinc/81/88/42/387818842.db2.gz BWRMWPZXELBJIK-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668163 387819331 /nfs/dbraw/zinc/81/93/31/387819331.db2.gz CCKJDNLUCSNKTB-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442668164 387820214 /nfs/dbraw/zinc/82/02/14/387820214.db2.gz CCKJDNLUCSNKTB-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1cncc(C[N@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC000442668359 387819493 /nfs/dbraw/zinc/81/94/93/387819493.db2.gz AHFURGSWXVXXKZ-INIZCTEOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cncc(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC000442668361 201584226 /nfs/dbraw/zinc/58/42/26/201584226.db2.gz AHFURGSWXVXXKZ-MRXNPFEDSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000442670681 386424782 /nfs/dbraw/zinc/42/47/82/386424782.db2.gz JJFHVNWSXSJPBJ-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000442670687 386423782 /nfs/dbraw/zinc/42/37/82/386423782.db2.gz JJFHVNWSXSJPBJ-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000442670692 205902506 /nfs/dbraw/zinc/90/25/06/205902506.db2.gz JJFHVNWSXSJPBJ-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000442670701 386424979 /nfs/dbraw/zinc/42/49/79/386424979.db2.gz JJFHVNWSXSJPBJ-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cncc(C)c1 ZINC000442670727 387820026 /nfs/dbraw/zinc/82/00/26/387820026.db2.gz JLLOOVPPLDQPOW-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1cncc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000442670845 387818569 /nfs/dbraw/zinc/81/85/69/387818569.db2.gz JRODRPMINNFCEU-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1cncc(C[N@@H+]2CCCC23CCCCC3)c1 ZINC000442672111 387818534 /nfs/dbraw/zinc/81/85/34/387818534.db2.gz NBZPLZUBYCXGCG-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1cncc(C[N@@H+](CC(C)C)C2CCCC2)c1 ZINC000442672904 386441430 /nfs/dbraw/zinc/44/14/30/386441430.db2.gz PQJRRLXOZLUMCH-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC1CCC([N@H+](C)Cc2cncc(C)c2)CC1 ZINC000442673189 387819230 /nfs/dbraw/zinc/81/92/30/387819230.db2.gz QJSSYPZABQBSIK-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@H+]2CCCC[C@H]2CC(C)C)c1 ZINC000442673770 387821760 /nfs/dbraw/zinc/82/17/60/387821760.db2.gz UFNOONCMPIQNJB-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@H+]2CCCC[C@@H]2CC(C)C)c1 ZINC000442673773 387820696 /nfs/dbraw/zinc/82/06/96/387820696.db2.gz UFNOONCMPIQNJB-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442673965 387821495 /nfs/dbraw/zinc/82/14/95/387821495.db2.gz UUROPCLMSKYWER-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442673966 387821788 /nfs/dbraw/zinc/82/17/88/387821788.db2.gz UUROPCLMSKYWER-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442673967 387820762 /nfs/dbraw/zinc/82/07/62/387820762.db2.gz UUROPCLMSKYWER-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000442673968 387821191 /nfs/dbraw/zinc/82/11/91/387821191.db2.gz UUROPCLMSKYWER-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@@H+](CC(C)C)CC(C)(C)C)c1 ZINC000442676583 387821777 /nfs/dbraw/zinc/82/17/77/387821777.db2.gz LPGXLBMQTXWJSH-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO CCCC[NH+](CCCC)Cc1cncc(C)c1 ZINC000442678627 201588298 /nfs/dbraw/zinc/58/82/98/201588298.db2.gz JUKDQUZGKDHFNJ-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO Cc1cncc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000442683733 387824096 /nfs/dbraw/zinc/82/40/96/387824096.db2.gz SROZVUOIUUZHMV-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO Cc1cncc(C[N@H+](C)CCC2CCCCC2)c1 ZINC000442688387 387823131 /nfs/dbraw/zinc/82/31/31/387823131.db2.gz PDSDZSCMOFTMIB-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1cncc(C[N@@H+](C)C2CCC(C)(C)CC2)c1 ZINC000442692163 387823989 /nfs/dbraw/zinc/82/39/89/387823989.db2.gz NBZHGKVRHHDVNX-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1 ZINC000442694359 387824015 /nfs/dbraw/zinc/82/40/15/387824015.db2.gz RPZJSJITTJWZMK-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000442694360 387823618 /nfs/dbraw/zinc/82/36/18/387823618.db2.gz RPZJSJITTJWZMK-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO FC(F)C1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000442771529 386649737 /nfs/dbraw/zinc/64/97/37/386649737.db2.gz TZPOEJGFFKUWCJ-HIFPTAJRSA-N 1 0 243.341 3.756 20 0 BHADRO FC(F)C1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000442771532 386648739 /nfs/dbraw/zinc/64/87/39/386648739.db2.gz TZPOEJGFFKUWCJ-PNESKVBLSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CCCC1 ZINC000442778438 488013365 /nfs/dbraw/zinc/01/33/65/488013365.db2.gz BPHFQXVRYNZMTP-PKSQDBQZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CCCC1 ZINC000442778441 488013197 /nfs/dbraw/zinc/01/31/97/488013197.db2.gz BPHFQXVRYNZMTP-QFWMXSHPSA-N 1 0 245.357 3.979 20 0 BHADRO CCC1(C[NH2+]C2CCC(C(F)F)CC2)CCC1 ZINC000442779499 386659573 /nfs/dbraw/zinc/65/95/73/386659573.db2.gz ITFOSPKFHLAKBF-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442780626 387838896 /nfs/dbraw/zinc/83/88/96/387838896.db2.gz KXKHGVYRZRAQOL-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442780628 387838953 /nfs/dbraw/zinc/83/89/53/387838953.db2.gz KXKHGVYRZRAQOL-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442780630 192990072 /nfs/dbraw/zinc/99/00/72/192990072.db2.gz KXKHGVYRZRAQOL-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442780631 386661413 /nfs/dbraw/zinc/66/14/13/386661413.db2.gz KXKHGVYRZRAQOL-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO FC(F)C1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000442780867 387838902 /nfs/dbraw/zinc/83/89/02/387838902.db2.gz OJIIJMXDMRFYHM-UHFFFAOYSA-N 1 0 243.341 3.589 20 0 BHADRO Cc1occc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442783235 192989924 /nfs/dbraw/zinc/98/99/24/192989924.db2.gz SWVFIMYGBOFGJF-UHFFFAOYSA-N 1 0 243.297 3.502 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442790020 387841555 /nfs/dbraw/zinc/84/15/55/387841555.db2.gz ZUKXQOSUAAGFCB-HTAVTVPLSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442790022 192991309 /nfs/dbraw/zinc/99/13/09/192991309.db2.gz ZUKXQOSUAAGFCB-MCIGGMRASA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442792336 387840809 /nfs/dbraw/zinc/84/08/09/387840809.db2.gz NYZDZMPPFVCKKH-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442792337 387840502 /nfs/dbraw/zinc/84/05/02/387840502.db2.gz NYZDZMPPFVCKKH-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442792338 387840999 /nfs/dbraw/zinc/84/09/99/387840999.db2.gz NYZDZMPPFVCKKH-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000442792339 192991713 /nfs/dbraw/zinc/99/17/13/192991713.db2.gz NYZDZMPPFVCKKH-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442795803 192990947 /nfs/dbraw/zinc/99/09/47/192990947.db2.gz CONLVSRUVMDILK-CHWSQXEVSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442795804 387840954 /nfs/dbraw/zinc/84/09/54/387840954.db2.gz CONLVSRUVMDILK-OLZOCXBDSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442795805 353780548 /nfs/dbraw/zinc/78/05/48/353780548.db2.gz CONLVSRUVMDILK-QWHCGFSZSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442795806 353780520 /nfs/dbraw/zinc/78/05/20/353780520.db2.gz CONLVSRUVMDILK-STQMWFEESA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(C)(C)C ZINC000442797112 192992689 /nfs/dbraw/zinc/99/26/89/192992689.db2.gz WSDIRYAJOSXOGX-BXUZGUMPSA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(C)(C)C ZINC000442797114 192990828 /nfs/dbraw/zinc/99/08/28/192990828.db2.gz WSDIRYAJOSXOGX-FZMZJTMJSA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)C(C)(C)C ZINC000442797115 387842196 /nfs/dbraw/zinc/84/21/96/387842196.db2.gz WSDIRYAJOSXOGX-RISCZKNCSA-N 1 0 235.371 3.868 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(C)(C)C ZINC000442797117 387842365 /nfs/dbraw/zinc/84/23/65/387842365.db2.gz WSDIRYAJOSXOGX-SMDDNHRTSA-N 1 0 235.371 3.868 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442797230 387843636 /nfs/dbraw/zinc/84/36/36/387843636.db2.gz GXQDTSMOCNMVCG-CYBMUJFWSA-N 1 0 244.382 3.879 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442797231 192993368 /nfs/dbraw/zinc/99/33/68/192993368.db2.gz GXQDTSMOCNMVCG-ZDUSSCGKSA-N 1 0 244.382 3.879 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000442798302 387843555 /nfs/dbraw/zinc/84/35/55/387843555.db2.gz WJOHRQPKALEYLC-ILXRZTDVSA-N 1 0 239.403 3.669 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000442798304 387843981 /nfs/dbraw/zinc/84/39/81/387843981.db2.gz WJOHRQPKALEYLC-KKUMJFAQSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000442799541 192992043 /nfs/dbraw/zinc/99/20/43/192992043.db2.gz IUJNIAYVTIIEFN-GFCCVEGCSA-N 1 0 244.382 3.735 20 0 BHADRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000442799543 192993089 /nfs/dbraw/zinc/99/30/89/192993089.db2.gz IUJNIAYVTIIEFN-LBPRGKRZSA-N 1 0 244.382 3.735 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442803128 192993600 /nfs/dbraw/zinc/99/36/00/192993600.db2.gz VKSYEMJQNHOOPZ-HNNXBMFYSA-N 1 0 244.382 3.879 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442803129 387842932 /nfs/dbraw/zinc/84/29/32/387842932.db2.gz VKSYEMJQNHOOPZ-OAHLLOKOSA-N 1 0 244.382 3.879 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)C(C)C ZINC000442805140 386694839 /nfs/dbraw/zinc/69/48/39/386694839.db2.gz YVIGAEQDENBVFF-HNNXBMFYSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)C(C)C ZINC000442805141 191926119 /nfs/dbraw/zinc/92/61/19/191926119.db2.gz YVIGAEQDENBVFF-OAHLLOKOSA-N 1 0 244.382 3.735 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC1CCCC1 ZINC000442806655 387844437 /nfs/dbraw/zinc/84/44/37/387844437.db2.gz CNLIHEWDKVMEHL-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CC1CCCC1 ZINC000442806658 387843207 /nfs/dbraw/zinc/84/32/07/387843207.db2.gz CNLIHEWDKVMEHL-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000442827215 386731553 /nfs/dbraw/zinc/73/15/53/386731553.db2.gz YVFATHADNYWCQX-AJNGGQMLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000442827217 386733267 /nfs/dbraw/zinc/73/32/67/386733267.db2.gz YVFATHADNYWCQX-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000442827219 386731518 /nfs/dbraw/zinc/73/15/18/386731518.db2.gz YVFATHADNYWCQX-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO FC(F)C1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000442827976 386732130 /nfs/dbraw/zinc/73/21/30/386732130.db2.gz QRCVVDRDKGKNBZ-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000442828828 386732687 /nfs/dbraw/zinc/73/26/87/386732687.db2.gz QUXCXUMZUBCLOX-UHFFFAOYSA-N 1 0 243.341 3.900 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442833068 192994658 /nfs/dbraw/zinc/99/46/58/192994658.db2.gz BENWJHYKDXFLSM-HTAVTVPLSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442833070 387845201 /nfs/dbraw/zinc/84/52/01/387845201.db2.gz BENWJHYKDXFLSM-MCIGGMRASA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442839001 387847850 /nfs/dbraw/zinc/84/78/50/387847850.db2.gz UVVIHSXBCHTOAT-PKSQDBQZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442839003 387848386 /nfs/dbraw/zinc/84/83/86/387848386.db2.gz UVVIHSXBCHTOAT-QFWMXSHPSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442850509 387849365 /nfs/dbraw/zinc/84/93/65/387849365.db2.gz PPTWCZOPJOUHLD-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)C1CC([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442852720 490393344 /nfs/dbraw/zinc/39/33/44/490393344.db2.gz HXTFCFOLDRVGHY-UHFFFAOYSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442860221 191930794 /nfs/dbraw/zinc/93/07/94/191930794.db2.gz BNOYYOCVYVWEFM-CQLXCSJHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442860222 398294446 /nfs/dbraw/zinc/29/44/46/398294446.db2.gz BNOYYOCVYVWEFM-GMKTYKIGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442860226 398294457 /nfs/dbraw/zinc/29/44/57/398294457.db2.gz BNOYYOCVYVWEFM-IGJPJIBNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442860229 398294381 /nfs/dbraw/zinc/29/43/81/398294381.db2.gz BNOYYOCVYVWEFM-QCXCNERSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442861526 192997945 /nfs/dbraw/zinc/99/79/45/192997945.db2.gz NBEFZWGMZHYOJF-IALDZJHCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442861528 387852856 /nfs/dbraw/zinc/85/28/56/387852856.db2.gz NBEFZWGMZHYOJF-OKZRHMCRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442861529 387853224 /nfs/dbraw/zinc/85/32/24/387853224.db2.gz NBEFZWGMZHYOJF-ZFDZMSFRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442861530 192998074 /nfs/dbraw/zinc/99/80/74/192998074.db2.gz NBEFZWGMZHYOJF-ZSVAQUKISA-N 1 0 245.357 3.836 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000442863576 387853763 /nfs/dbraw/zinc/85/37/63/387853763.db2.gz XWDHYLQMJFVVGH-HTAVTVPLSA-N 1 0 243.341 3.733 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000442863578 387852735 /nfs/dbraw/zinc/85/27/35/387852735.db2.gz XWDHYLQMJFVVGH-MCIGGMRASA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442864862 387853059 /nfs/dbraw/zinc/85/30/59/387853059.db2.gz ATEIEVCPXIENOV-RUXNMCCTSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442866403 387852747 /nfs/dbraw/zinc/85/27/47/387852747.db2.gz LCUFGOYFOBSOPP-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000442866898 387853642 /nfs/dbraw/zinc/85/36/42/387853642.db2.gz XPOIVBDWATYGKV-FIYWTHMPSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000442866900 387853267 /nfs/dbraw/zinc/85/32/67/387853267.db2.gz XPOIVBDWATYGKV-IFWUJCSASA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000442866902 387852770 /nfs/dbraw/zinc/85/27/70/387852770.db2.gz XPOIVBDWATYGKV-TUUUFIMRSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000442866904 387854038 /nfs/dbraw/zinc/85/40/38/387854038.db2.gz XPOIVBDWATYGKV-TYUFSLCMSA-N 1 0 243.341 3.589 20 0 BHADRO CC1(C[NH2+]C2CCC(C(F)F)CC2)CCCC1 ZINC000442874882 206083538 /nfs/dbraw/zinc/08/35/38/206083538.db2.gz MVTJMZAAIPNTIJ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cncc(C[NH+]2CCC(C)(C(C)C)CC2)c1 ZINC000442876090 387854578 /nfs/dbraw/zinc/85/45/78/387854578.db2.gz QJLPMPJKJFCXKD-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442879124 387854737 /nfs/dbraw/zinc/85/47/37/387854737.db2.gz VTJKGFFJILWYCS-CYBMUJFWSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442879125 387856070 /nfs/dbraw/zinc/85/60/70/387856070.db2.gz VTJKGFFJILWYCS-ZDUSSCGKSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cncc(C)c1 ZINC000442879619 387855294 /nfs/dbraw/zinc/85/52/94/387855294.db2.gz BBKMYMJPKRTQQM-CVEARBPZSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cncc(C)c1 ZINC000442879621 387855874 /nfs/dbraw/zinc/85/58/74/387855874.db2.gz BBKMYMJPKRTQQM-HOTGVXAUSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cncc(C)c1 ZINC000442879623 387855086 /nfs/dbraw/zinc/85/50/86/387855086.db2.gz BBKMYMJPKRTQQM-HZPDHXFCSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cncc(C)c1 ZINC000442879624 387855815 /nfs/dbraw/zinc/85/58/15/387855815.db2.gz BBKMYMJPKRTQQM-JKSUJKDBSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1c[nH]c2ccccc12 ZINC000442882642 387855984 /nfs/dbraw/zinc/85/59/84/387855984.db2.gz RYOUATBOHIHDLQ-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@H+](Cc1cncc(C)c1)[C@@H]1CCCC[C@H]1C ZINC000442883910 387857741 /nfs/dbraw/zinc/85/77/41/387857741.db2.gz QUKKDBPKKAXNQH-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cncc(C)c1)[C@@H]1CCCC[C@@H]1C ZINC000442883914 387856580 /nfs/dbraw/zinc/85/65/80/387856580.db2.gz QUKKDBPKKAXNQH-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cncc(C)c1)[C@H]1CCCC[C@@H]1C ZINC000442883917 387856774 /nfs/dbraw/zinc/85/67/74/387856774.db2.gz QUKKDBPKKAXNQH-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cncc(C)c1)[C@H]1CCCC[C@H]1C ZINC000442883919 387856882 /nfs/dbraw/zinc/85/68/82/387856882.db2.gz QUKKDBPKKAXNQH-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cncc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000442889710 193000470 /nfs/dbraw/zinc/00/04/70/193000470.db2.gz IDAIEOMFFOVTDM-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442889907 193000309 /nfs/dbraw/zinc/00/03/09/193000309.db2.gz IXRZBWCMUVDVJA-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)CC1CCC1 ZINC000442891093 193001312 /nfs/dbraw/zinc/00/13/12/193001312.db2.gz LXCQIMGBDJKHTI-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(C)c2)CCO1 ZINC000442893742 193001089 /nfs/dbraw/zinc/00/10/89/193001089.db2.gz XYMGJNQYMPIAAQ-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(C)c2)CCO1 ZINC000442893745 193001124 /nfs/dbraw/zinc/00/11/24/193001124.db2.gz XYMGJNQYMPIAAQ-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(C)c2)CCO1 ZINC000442893748 193000879 /nfs/dbraw/zinc/00/08/79/193000879.db2.gz XYMGJNQYMPIAAQ-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(C)c2)CCO1 ZINC000442893749 193001140 /nfs/dbraw/zinc/00/11/40/193001140.db2.gz XYMGJNQYMPIAAQ-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2C)CCO1 ZINC000442893829 193001513 /nfs/dbraw/zinc/00/15/13/193001513.db2.gz YEHFQGHGJIZPBY-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@]1(C)C[N@@H+]([C@@H](C)c2ccccc2C)CCO1 ZINC000442893832 193001257 /nfs/dbraw/zinc/00/12/57/193001257.db2.gz YEHFQGHGJIZPBY-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2C)CCO1 ZINC000442893834 193001642 /nfs/dbraw/zinc/00/16/42/193001642.db2.gz YEHFQGHGJIZPBY-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2C)CCO1 ZINC000442893836 386997515 /nfs/dbraw/zinc/99/75/15/386997515.db2.gz YEHFQGHGJIZPBY-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1cccc(O)c1 ZINC000442894347 193000842 /nfs/dbraw/zinc/00/08/42/193000842.db2.gz ZAYROHYSWOOCHW-FUJMWEONSA-N 1 0 245.366 3.623 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1cccc(O)c1 ZINC000442894350 193000644 /nfs/dbraw/zinc/00/06/44/193000644.db2.gz ZAYROHYSWOOCHW-VEAWUBTESA-N 1 0 245.366 3.623 20 0 BHADRO Cc1cncc(C[NH+]2CC(C)(C)CC(C)(C)C2)c1 ZINC000442907308 193004151 /nfs/dbraw/zinc/00/41/51/193004151.db2.gz ZHVHAUHFDVIABR-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442965559 193008186 /nfs/dbraw/zinc/00/81/86/193008186.db2.gz KETZDJJLSJXNGK-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000442999006 193009429 /nfs/dbraw/zinc/00/94/29/193009429.db2.gz KYGNEAFJGCQKDB-UHFFFAOYSA-N 1 0 245.288 3.904 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H](C)CC(C)(C)C)nc1 ZINC000443003928 193010291 /nfs/dbraw/zinc/01/02/91/193010291.db2.gz BNZKNHHOGVJVMB-CYBMUJFWSA-N 1 0 248.414 3.942 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H](C)CC(C)(C)C)nc1 ZINC000443003930 193010492 /nfs/dbraw/zinc/01/04/92/193010492.db2.gz BNZKNHHOGVJVMB-ZDUSSCGKSA-N 1 0 248.414 3.942 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H](C)CC(C)(C)C)cn1 ZINC000443007387 537826116 /nfs/dbraw/zinc/82/61/16/537826116.db2.gz NVCLQEOCGQHGFB-CYBMUJFWSA-N 1 0 248.414 3.942 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H](C)CC(C)(C)C)cn1 ZINC000443007388 537824170 /nfs/dbraw/zinc/82/41/70/537824170.db2.gz NVCLQEOCGQHGFB-ZDUSSCGKSA-N 1 0 248.414 3.942 20 0 BHADRO C[C@H](CC[NH2+]Cc1ccn(C)c1)CC(C)(C)C ZINC000443008583 193010514 /nfs/dbraw/zinc/01/05/14/193010514.db2.gz GNTNOIRUUOFHAW-CYBMUJFWSA-N 1 0 236.403 3.577 20 0 BHADRO C[C@@H](CC[NH2+]Cc1ccn(C)c1)CC(C)(C)C ZINC000443008584 193010627 /nfs/dbraw/zinc/01/06/27/193010627.db2.gz GNTNOIRUUOFHAW-ZDUSSCGKSA-N 1 0 236.403 3.577 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C)C1)CC(C)(C)C ZINC000443008648 193010315 /nfs/dbraw/zinc/01/03/15/193010315.db2.gz HBUQHDYKGXVIDP-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCO[C@H](C)C1)CC(C)(C)C ZINC000443008649 193010261 /nfs/dbraw/zinc/01/02/61/193010261.db2.gz HBUQHDYKGXVIDP-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)CC(C)(C)C ZINC000443008650 193009729 /nfs/dbraw/zinc/00/97/29/193009729.db2.gz HBUQHDYKGXVIDP-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCO[C@@H](C)C1)CC(C)(C)C ZINC000443008751 193009847 /nfs/dbraw/zinc/00/98/47/193009847.db2.gz HBUQHDYKGXVIDP-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000443013307 193010602 /nfs/dbraw/zinc/01/06/02/193010602.db2.gz KMTIYQPJXXSRDM-CYBMUJFWSA-N 1 0 248.414 3.942 20 0 BHADRO Cc1ncccc1C[NH2+]CC[C@H](C)CC(C)(C)C ZINC000443013309 193010453 /nfs/dbraw/zinc/01/04/53/193010453.db2.gz KMTIYQPJXXSRDM-ZDUSSCGKSA-N 1 0 248.414 3.942 20 0 BHADRO C[C@H](CC[NH2+]Cc1cccn1C)CC(C)(C)C ZINC000443013540 193009832 /nfs/dbraw/zinc/00/98/32/193009832.db2.gz WMDGJKSLSOJFMY-CYBMUJFWSA-N 1 0 236.403 3.577 20 0 BHADRO C[C@@H](CC[NH2+]Cc1cccn1C)CC(C)(C)C ZINC000443013541 193010317 /nfs/dbraw/zinc/01/03/17/193010317.db2.gz WMDGJKSLSOJFMY-ZDUSSCGKSA-N 1 0 236.403 3.577 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCCOCC1)CC(C)(C)C ZINC000443193426 193014429 /nfs/dbraw/zinc/01/44/29/193014429.db2.gz FRYIWWIMDQYMSY-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCCOCC1)CC(C)(C)C ZINC000443193427 193014600 /nfs/dbraw/zinc/01/46/00/193014600.db2.gz FRYIWWIMDQYMSY-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCCOCC1)CC(C)(C)C ZINC000443193428 193015096 /nfs/dbraw/zinc/01/50/96/193015096.db2.gz FRYIWWIMDQYMSY-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCCOCC1)CC(C)(C)C ZINC000443193429 193014895 /nfs/dbraw/zinc/01/48/95/193014895.db2.gz FRYIWWIMDQYMSY-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)CC(C)(C)C ZINC000443199568 193014591 /nfs/dbraw/zinc/01/45/91/193014591.db2.gz DNVZAFFMTGAIDH-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@@H]1CCCO1 ZINC000443199569 193014718 /nfs/dbraw/zinc/01/47/18/193014718.db2.gz DNVZAFFMTGAIDH-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@H]1CCCO1 ZINC000443199571 193015193 /nfs/dbraw/zinc/01/51/93/193015193.db2.gz DNVZAFFMTGAIDH-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)CC(C)(C)C ZINC000443199573 193015003 /nfs/dbraw/zinc/01/50/03/193015003.db2.gz DNVZAFFMTGAIDH-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000443226732 193016331 /nfs/dbraw/zinc/01/63/31/193016331.db2.gz SOWUULBOCALBLV-CHWSQXEVSA-N 1 0 249.398 3.670 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000443226734 193015790 /nfs/dbraw/zinc/01/57/90/193015790.db2.gz SOWUULBOCALBLV-OLZOCXBDSA-N 1 0 249.398 3.670 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000443226735 193016541 /nfs/dbraw/zinc/01/65/41/193016541.db2.gz SOWUULBOCALBLV-QWHCGFSZSA-N 1 0 249.398 3.670 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000443226736 193015975 /nfs/dbraw/zinc/01/59/75/193015975.db2.gz SOWUULBOCALBLV-STQMWFEESA-N 1 0 249.398 3.670 20 0 BHADRO CC1(C)C[N@@H+]([C@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000443341476 193019379 /nfs/dbraw/zinc/01/93/79/193019379.db2.gz LCAQMFMZJBKZKO-AWEZNQCLSA-N 1 0 249.398 3.519 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000443341477 193019582 /nfs/dbraw/zinc/01/95/82/193019582.db2.gz LCAQMFMZJBKZKO-CQSZACIVSA-N 1 0 249.398 3.519 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)Cc1ccco1 ZINC000443403280 193019157 /nfs/dbraw/zinc/01/91/57/193019157.db2.gz AFQIPKBLENVUOL-DZGCQCFKSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)Cc1ccco1 ZINC000443403282 193018903 /nfs/dbraw/zinc/01/89/03/193018903.db2.gz AFQIPKBLENVUOL-HIFRSBDPSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)Cc1ccco1 ZINC000443403284 193019955 /nfs/dbraw/zinc/01/99/55/193019955.db2.gz AFQIPKBLENVUOL-UKRRQHHQSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)Cc1ccco1 ZINC000443403287 193019317 /nfs/dbraw/zinc/01/93/17/193019317.db2.gz AFQIPKBLENVUOL-ZFWWWQNUSA-N 1 0 233.355 3.704 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(F)(F)F)cc1C ZINC000443403380 193019327 /nfs/dbraw/zinc/01/93/27/193019327.db2.gz APUHQFVRDPNWSX-UHFFFAOYSA-N 1 0 245.288 3.856 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCC(F)(F)F ZINC000443405615 193019654 /nfs/dbraw/zinc/01/96/54/193019654.db2.gz KFWVVPOYJTVMEW-NEPJUHHUSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCC(F)(F)F ZINC000443405622 193019820 /nfs/dbraw/zinc/01/98/20/193019820.db2.gz KFWVVPOYJTVMEW-NWDGAFQWSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCC(F)(F)F ZINC000443405624 193019460 /nfs/dbraw/zinc/01/94/60/193019460.db2.gz KFWVVPOYJTVMEW-RYUDHWBXSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCC(F)(F)F ZINC000443405625 193019780 /nfs/dbraw/zinc/01/97/80/193019780.db2.gz KFWVVPOYJTVMEW-VXGBXAGGSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)Cc1ccoc1 ZINC000443405724 193019105 /nfs/dbraw/zinc/01/91/05/193019105.db2.gz KTAFHFJRVYVKAG-DZGCQCFKSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)Cc1ccoc1 ZINC000443405726 193020074 /nfs/dbraw/zinc/02/00/74/193020074.db2.gz KTAFHFJRVYVKAG-HIFRSBDPSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)Cc1ccoc1 ZINC000443405727 193019980 /nfs/dbraw/zinc/01/99/80/193019980.db2.gz KTAFHFJRVYVKAG-UKRRQHHQSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)Cc1ccoc1 ZINC000443405728 193019807 /nfs/dbraw/zinc/01/98/07/193019807.db2.gz KTAFHFJRVYVKAG-ZFWWWQNUSA-N 1 0 233.355 3.704 20 0 BHADRO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C(C)C ZINC000443406475 193019612 /nfs/dbraw/zinc/01/96/12/193019612.db2.gz MLGUJYVTFUFYSG-UHFFFAOYSA-N 1 0 245.288 3.854 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000443411890 193020885 /nfs/dbraw/zinc/02/08/85/193020885.db2.gz YCUMKZXDDHSYRU-UHFFFAOYSA-N 1 0 245.288 3.856 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000443604408 193024354 /nfs/dbraw/zinc/02/43/54/193024354.db2.gz OCNFMQGGPJOOPG-HZMBPMFUSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2c1cccc2Cl ZINC000443604409 193025260 /nfs/dbraw/zinc/02/52/60/193025260.db2.gz OCNFMQGGPJOOPG-IINYFYTJSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2c1cccc2Cl ZINC000443604410 193025031 /nfs/dbraw/zinc/02/50/31/193025031.db2.gz OCNFMQGGPJOOPG-QMTHXVAHSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000443604411 193024228 /nfs/dbraw/zinc/02/42/28/193024228.db2.gz OCNFMQGGPJOOPG-YGRLFVJLSA-N 1 0 235.758 3.812 20 0 BHADRO CC(C)CSCCC[NH+]1Cc2ccccc2C1 ZINC000443611528 193026565 /nfs/dbraw/zinc/02/65/65/193026565.db2.gz ZEZAIJKGNZTPPJ-UHFFFAOYSA-N 1 0 249.423 3.782 20 0 BHADRO CC[N@H+](CCCSCC(C)C)C1CCC1 ZINC000443611830 193025842 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/nfs/dbraw/zinc/02/57/75/193025775.db2.gz KSBMPAOGQBHVCJ-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCSCC(C)C ZINC000443614062 193025995 /nfs/dbraw/zinc/02/59/95/193025995.db2.gz KSBMPAOGQBHVCJ-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000443614450 193026891 /nfs/dbraw/zinc/02/68/91/193026891.db2.gz LLSNUMMQGMMIPK-JTQLQIEISA-N 1 0 223.282 3.593 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000443614451 193025853 /nfs/dbraw/zinc/02/58/53/193025853.db2.gz LLSNUMMQGMMIPK-SNVBAGLBSA-N 1 0 223.282 3.593 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCCC1(C)C ZINC000443614780 193025499 /nfs/dbraw/zinc/02/54/99/193025499.db2.gz LYSAPWWUXSAWOY-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000443616239 193026962 /nfs/dbraw/zinc/02/69/62/193026962.db2.gz QTQUUXFCQFYKSF-NEPJUHHUSA-N 1 0 249.320 3.984 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000443616240 193026119 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BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000443640486 193027550 /nfs/dbraw/zinc/02/75/50/193027550.db2.gz NIQUTFAYHRCUFP-DOMZBBRYSA-N 1 0 233.399 3.757 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000443640487 193028374 /nfs/dbraw/zinc/02/83/74/193028374.db2.gz NIQUTFAYHRCUFP-IUODEOHRSA-N 1 0 233.399 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000443640488 193028061 /nfs/dbraw/zinc/02/80/61/193028061.db2.gz NIQUTFAYHRCUFP-SWLSCSKDSA-N 1 0 233.399 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000443640489 193027845 /nfs/dbraw/zinc/02/78/45/193027845.db2.gz NIQUTFAYHRCUFP-WFASDCNBSA-N 1 0 233.399 3.757 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCCC[C@H]1C ZINC000443675691 193027582 /nfs/dbraw/zinc/02/75/82/193027582.db2.gz RYKRTMYHFACHHP-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCCC[C@@H]1C ZINC000443675692 193027825 /nfs/dbraw/zinc/02/78/25/193027825.db2.gz RYKRTMYHFACHHP-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000443805276 193030629 /nfs/dbraw/zinc/03/06/29/193030629.db2.gz UAAYKPXHXVMJED-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CC(C)OC1CC([NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000443849996 193031173 /nfs/dbraw/zinc/03/11/73/193031173.db2.gz DXVIHGXFBVJBPG-DNDYEEKYSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@H]2CCC[C@H](C)CC2)C1 ZINC000443849998 193031163 /nfs/dbraw/zinc/03/11/63/193031163.db2.gz DXVIHGXFBVJBPG-HESLUPGFSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000443849999 193030068 /nfs/dbraw/zinc/03/00/68/193030068.db2.gz DXVIHGXFBVJBPG-LMRVLLHPSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC000443850000 193030906 /nfs/dbraw/zinc/03/09/06/193030906.db2.gz DXVIHGXFBVJBPG-ZUJMUWTESA-N 1 0 239.403 3.501 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)CC(F)(F)F ZINC000443853624 191110269 /nfs/dbraw/zinc/11/02/69/191110269.db2.gz IWXRKXUESSACPE-QJPTWQEYSA-N 1 0 249.320 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3.880 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+](C)CCCOC(C)C)c1 ZINC000444231505 193041975 /nfs/dbraw/zinc/04/19/75/193041975.db2.gz FYWHJRPNNLEJCA-HNNXBMFYSA-N 1 0 249.398 3.803 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+](C)CCCOC(C)C)c1 ZINC000444231506 193042355 /nfs/dbraw/zinc/04/23/55/193042355.db2.gz FYWHJRPNNLEJCA-OAHLLOKOSA-N 1 0 249.398 3.803 20 0 BHADRO CCc1ccccc1CC[N@H+](C)Cc1ccco1 ZINC000444591335 193051860 /nfs/dbraw/zinc/05/18/60/193051860.db2.gz NRUVPIWLXRKTSJ-UHFFFAOYSA-N 1 0 243.350 3.517 20 0 BHADRO CCc1ccccc1CC[N@@H+](CC)C(C)C ZINC000444593496 193052427 /nfs/dbraw/zinc/05/24/27/193052427.db2.gz KOQPDAWMZVFZRF-UHFFFAOYSA-N 1 0 219.372 3.522 20 0 BHADRO CCc1ccccc1CC[N@@H+](C)[C@H](C)CC ZINC000444659464 387901683 /nfs/dbraw/zinc/90/16/83/387901683.db2.gz PSSZCGNWCCREPC-CYBMUJFWSA-N 1 0 219.372 3.522 20 0 BHADRO CCc1ccccc1CC[N@@H+](C)[C@@H](C)CC ZINC000444659469 387894249 /nfs/dbraw/zinc/89/42/49/387894249.db2.gz PSSZCGNWCCREPC-ZDUSSCGKSA-N 1 0 219.372 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCSC ZINC000444661790 387902546 /nfs/dbraw/zinc/90/25/46/387902546.db2.gz BBDRCFXMUHYJHM-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCSC ZINC000444661804 387903692 /nfs/dbraw/zinc/90/36/92/387903692.db2.gz BBDRCFXMUHYJHM-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCSC ZINC000444661805 387902748 /nfs/dbraw/zinc/90/27/48/387902748.db2.gz BBDRCFXMUHYJHM-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCSC ZINC000444661806 387903305 /nfs/dbraw/zinc/90/33/05/387903305.db2.gz BBDRCFXMUHYJHM-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](Cc1ncccc1C)[C@@H]1CCCC[C@H]1C ZINC000444662361 387902768 /nfs/dbraw/zinc/90/27/68/387902768.db2.gz JDUCKZDPKXXCCG-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1ncccc1C)[C@@H]1CCCC[C@@H]1C ZINC000444662362 387903189 /nfs/dbraw/zinc/90/31/89/387903189.db2.gz JDUCKZDPKXXCCG-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1ncccc1C)[C@H]1CCCC[C@@H]1C ZINC000444662363 387904069 /nfs/dbraw/zinc/90/40/69/387904069.db2.gz JDUCKZDPKXXCCG-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1ncccc1C)[C@H]1CCCC[C@H]1C ZINC000444662364 387903685 /nfs/dbraw/zinc/90/36/85/387903685.db2.gz JDUCKZDPKXXCCG-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCOC(C)C ZINC000444662600 387903947 /nfs/dbraw/zinc/90/39/47/387903947.db2.gz NCKMTVKDVKRWFI-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCOC(C)C ZINC000444662601 387903903 /nfs/dbraw/zinc/90/39/03/387903903.db2.gz NCKMTVKDVKRWFI-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCOC(C)C ZINC000444662602 387903153 /nfs/dbraw/zinc/90/31/53/387903153.db2.gz NCKMTVKDVKRWFI-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCOC(C)C ZINC000444662603 387903751 /nfs/dbraw/zinc/90/37/51/387903751.db2.gz NCKMTVKDVKRWFI-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOC(C)C)[C@H]1CCCC[C@H]1C ZINC000444663321 387903277 /nfs/dbraw/zinc/90/32/77/387903277.db2.gz OHUAZIJMUFBSPH-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOC(C)C)[C@H]1CCCC[C@@H]1C ZINC000444663322 387903936 /nfs/dbraw/zinc/90/39/36/387903936.db2.gz OHUAZIJMUFBSPH-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOC(C)C)[C@@H]1CCCC[C@H]1C ZINC000444663323 387902272 /nfs/dbraw/zinc/90/22/72/387902272.db2.gz OHUAZIJMUFBSPH-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOC(C)C)[C@@H]1CCCC[C@@H]1C ZINC000444663325 201615563 /nfs/dbraw/zinc/61/55/63/201615563.db2.gz OHUAZIJMUFBSPH-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCc1ccncc1 ZINC000444663433 387903766 /nfs/dbraw/zinc/90/37/66/387903766.db2.gz LFUFLJHVHKTCTC-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCc1ccncc1 ZINC000444663435 387902866 /nfs/dbraw/zinc/90/28/66/387902866.db2.gz LFUFLJHVHKTCTC-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCc1ccncc1 ZINC000444663436 387902157 /nfs/dbraw/zinc/90/21/57/387902157.db2.gz LFUFLJHVHKTCTC-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCc1ccncc1 ZINC000444663438 387903083 /nfs/dbraw/zinc/90/30/83/387903083.db2.gz LFUFLJHVHKTCTC-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CC[N@H+](CCCSC)[C@@H]1CCCC[C@H]1C ZINC000444663749 387902556 /nfs/dbraw/zinc/90/25/56/387902556.db2.gz PDXDCYCAQJJBKZ-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](CCCSC)[C@H]1CCCC[C@H]1C ZINC000444663750 387903428 /nfs/dbraw/zinc/90/34/28/387903428.db2.gz PDXDCYCAQJJBKZ-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](CCCSC)[C@@H]1CCCC[C@@H]1C ZINC000444663751 387902205 /nfs/dbraw/zinc/90/22/05/387902205.db2.gz PDXDCYCAQJJBKZ-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](CCCSC)[C@H]1CCCC[C@@H]1C ZINC000444663754 387902882 /nfs/dbraw/zinc/90/28/82/387902882.db2.gz PDXDCYCAQJJBKZ-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](Cc1cnccc1C)[C@@H]1CCCC[C@H]1C ZINC000444664574 387902851 /nfs/dbraw/zinc/90/28/51/387902851.db2.gz RHDCHHCZFAGKIZ-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cnccc1C)[C@@H]1CCCC[C@@H]1C ZINC000444664575 387903930 /nfs/dbraw/zinc/90/39/30/387903930.db2.gz RHDCHHCZFAGKIZ-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cnccc1C)[C@H]1CCCC[C@@H]1C ZINC000444664576 387904354 /nfs/dbraw/zinc/90/43/54/387904354.db2.gz RHDCHHCZFAGKIZ-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cnccc1C)[C@H]1CCCC[C@H]1C ZINC000444664577 387903989 /nfs/dbraw/zinc/90/39/89/387903989.db2.gz RHDCHHCZFAGKIZ-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000444684679 387909070 /nfs/dbraw/zinc/90/90/70/387909070.db2.gz LAORVLSNZODPAX-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO C[N@H+](CC1(c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000444686114 387909125 /nfs/dbraw/zinc/90/91/25/387909125.db2.gz RFBAYLAJKJSQHR-INIZCTEOSA-N 1 0 241.378 3.759 20 0 BHADRO C[N@H+](CC1(c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000444686115 387908741 /nfs/dbraw/zinc/90/87/41/387908741.db2.gz RFBAYLAJKJSQHR-MRXNPFEDSA-N 1 0 241.378 3.759 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000444689167 387910157 /nfs/dbraw/zinc/91/01/57/387910157.db2.gz FJZQTGQZDDCYRW-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000444689170 387910861 /nfs/dbraw/zinc/91/08/61/387910861.db2.gz FJZQTGQZDDCYRW-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO COCCCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444692304 387910690 /nfs/dbraw/zinc/91/06/90/387910690.db2.gz FAOTVGNKDVDPQT-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1C=CCCC1 ZINC000444694597 387910241 /nfs/dbraw/zinc/91/02/41/387910241.db2.gz BDUVYZNSZVHBFE-AWEZNQCLSA-N 1 0 237.293 3.505 20 0 BHADRO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1C=CCCC1 ZINC000444694609 387910791 /nfs/dbraw/zinc/91/07/91/387910791.db2.gz BDUVYZNSZVHBFE-CQSZACIVSA-N 1 0 237.293 3.505 20 0 BHADRO COC(C)(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444695515 387911276 /nfs/dbraw/zinc/91/12/76/387911276.db2.gz FHXLFOIECJMUOZ-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444698625 387912846 /nfs/dbraw/zinc/91/28/46/387912846.db2.gz CTCKZBZVCJKNLE-LLVKDONJSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444698626 387912870 /nfs/dbraw/zinc/91/28/70/387912870.db2.gz CTCKZBZVCJKNLE-NSHDSACASA-N 1 0 237.309 3.697 20 0 BHADRO CCCCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702042 387912509 /nfs/dbraw/zinc/91/25/09/387912509.db2.gz HOXNNPQDABKXQI-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000444708724 387915364 /nfs/dbraw/zinc/91/53/64/387915364.db2.gz OZTYPTZSXIEEMQ-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000444708726 387914925 /nfs/dbraw/zinc/91/49/25/387914925.db2.gz OZTYPTZSXIEEMQ-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710332 387915097 /nfs/dbraw/zinc/91/50/97/387915097.db2.gz VAKINYSEVPXLPA-PLNGDYQASA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444710419 387915162 /nfs/dbraw/zinc/91/51/62/387915162.db2.gz VAKINYSEVPXLPA-SNAWJCMRSA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444715729 711786043 /nfs/dbraw/zinc/78/60/43/711786043.db2.gz HSPWAZJXWHTPON-BYCRGOAPSA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444715730 711786047 /nfs/dbraw/zinc/78/60/47/711786047.db2.gz HSPWAZJXWHTPON-DLRQAJBASA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444715731 387907808 /nfs/dbraw/zinc/90/78/08/387907808.db2.gz HSPWAZJXWHTPON-PGLGOXFNSA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444715732 387907666 /nfs/dbraw/zinc/90/76/66/387907666.db2.gz HSPWAZJXWHTPON-UFFNRZRYSA-N 1 0 235.293 3.617 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@H]2C=CCCC2)c1 ZINC000444737946 387920058 /nfs/dbraw/zinc/92/00/58/387920058.db2.gz CCIZOCJRPVJVOL-AWEZNQCLSA-N 1 0 233.330 3.675 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2C=CCCC2)c1 ZINC000444737949 387920613 /nfs/dbraw/zinc/92/06/13/387920613.db2.gz CCIZOCJRPVJVOL-CQSZACIVSA-N 1 0 233.330 3.675 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000444750748 387920328 /nfs/dbraw/zinc/92/03/28/387920328.db2.gz JAGMTVBBRIIZIW-KBPBESRZSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000444750749 387919750 /nfs/dbraw/zinc/91/97/50/387919750.db2.gz JAGMTVBBRIIZIW-KGLIPLIRSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000444750750 387920404 /nfs/dbraw/zinc/92/04/04/387920404.db2.gz JAGMTVBBRIIZIW-UONOGXRCSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000444750751 387919071 /nfs/dbraw/zinc/91/90/71/387919071.db2.gz JAGMTVBBRIIZIW-ZIAGYGMSSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000444750760 387919990 /nfs/dbraw/zinc/91/99/90/387919990.db2.gz JGDPZGXUNMRHKT-DZGCQCFKSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000444750761 387922095 /nfs/dbraw/zinc/92/20/95/387922095.db2.gz JGDPZGXUNMRHKT-HIFRSBDPSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000444750762 387922481 /nfs/dbraw/zinc/92/24/81/387922481.db2.gz JGDPZGXUNMRHKT-UKRRQHHQSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000444750763 387921924 /nfs/dbraw/zinc/92/19/24/387921924.db2.gz JGDPZGXUNMRHKT-ZFWWWQNUSA-N 1 0 232.371 3.511 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000444751147 387922156 /nfs/dbraw/zinc/92/21/56/387922156.db2.gz NZOLXVKUEVNYFR-LBPRGKRZSA-N 1 0 235.371 3.869 20 0 BHADRO CC(C)[N@H+](CC1CCC1)[C@H]1C=CCCC1 ZINC000444762528 387924721 /nfs/dbraw/zinc/92/47/21/387924721.db2.gz ABDIFDJLERUAGG-AWEZNQCLSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[N@H+](CC1CCC1)[C@@H]1C=CCCC1 ZINC000444762529 387923912 /nfs/dbraw/zinc/92/39/12/387923912.db2.gz ABDIFDJLERUAGG-CQSZACIVSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[N@H+](CC1CCC1)CC1CCCC1 ZINC000444766746 201631186 /nfs/dbraw/zinc/63/11/86/201631186.db2.gz OZRKTOFHKPSIBF-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[N@@H+](Cc1ncc(C2CC2)o1)CC1CCC1 ZINC000444767154 387924327 /nfs/dbraw/zinc/92/43/27/387924327.db2.gz QYRNBFJOVBPBRP-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)[N@H+](CCCc1ccncc1)CC1CCC1 ZINC000444769139 387923986 /nfs/dbraw/zinc/92/39/86/387923986.db2.gz HORFIZXUHCPVOH-UHFFFAOYSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1ccc(C[N@@H+](CC2CCC2)C(C)C)c(C)n1 ZINC000444770808 387927753 /nfs/dbraw/zinc/92/77/53/387927753.db2.gz FYMCYVFHCUBMPM-UHFFFAOYSA-N 1 0 246.398 3.709 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)c(C)n1 ZINC000444771792 387926406 /nfs/dbraw/zinc/92/64/06/387926406.db2.gz KMSLSXMUVWFOGW-HNNXBMFYSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)c(C)n1 ZINC000444771793 387928355 /nfs/dbraw/zinc/92/83/55/387928355.db2.gz KMSLSXMUVWFOGW-OAHLLOKOSA-N 1 0 246.398 3.566 20 0 BHADRO c1ccc(CCC[N@@H+]2CCCC23CCC3)cc1 ZINC000444773121 387927169 /nfs/dbraw/zinc/92/71/69/387927169.db2.gz CGBOVCNKWBTQDR-UHFFFAOYSA-N 1 0 229.367 3.638 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCCC12CCC2 ZINC000444774052 387927581 /nfs/dbraw/zinc/92/75/81/387927581.db2.gz HHZGXHFURWBXHU-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO c1cc(C[N@@H+]2CCCC23CCC3)cc2c1CCC2 ZINC000444775918 201635483 /nfs/dbraw/zinc/63/54/83/201635483.db2.gz BCUMDSXGYKBNNK-UHFFFAOYSA-N 1 0 241.378 3.694 20 0 BHADRO Clc1ccccc1C[N@@H+]1CCCC12CCC2 ZINC000444776373 387930081 /nfs/dbraw/zinc/93/00/81/387930081.db2.gz CIXRWKDXFWYRPV-UHFFFAOYSA-N 1 0 235.758 3.859 20 0 BHADRO Clc1ccc(C[N@@H+]2CCCC23CCC3)s1 ZINC000444777198 387930445 /nfs/dbraw/zinc/93/04/45/387930445.db2.gz FELZJMLJUVHJGO-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCCC12CCC2 ZINC000444777337 387928961 /nfs/dbraw/zinc/92/89/61/387928961.db2.gz RXAQTPCGXOMSNY-UHFFFAOYSA-N 1 0 229.367 3.768 20 0 BHADRO CC(C)(C)OCCCC[N@@H+]1CCCC12CCC2 ZINC000444777520 387930795 /nfs/dbraw/zinc/93/07/95/387930795.db2.gz FXGOGBYAUAYHRW-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CCCC12CCC2 ZINC000444777862 387930772 /nfs/dbraw/zinc/93/07/72/387930772.db2.gz HDNICGZDUIZYND-UHFFFAOYSA-N 1 0 241.334 3.951 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCCC12CCC2 ZINC000444778395 387930640 /nfs/dbraw/zinc/93/06/40/387930640.db2.gz IKBRUWRTCNTCMO-RUDMXATFSA-N 1 0 227.351 3.718 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCCC12CCC2 ZINC000444778397 387930006 /nfs/dbraw/zinc/93/00/06/387930006.db2.gz IKBRUWRTCNTCMO-WTKPLQERSA-N 1 0 227.351 3.718 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCCC12CCC2 ZINC000444778431 387928892 /nfs/dbraw/zinc/92/88/92/387928892.db2.gz IMSKJTAULGIBGO-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CCOc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000444778563 387930229 /nfs/dbraw/zinc/93/02/29/387930229.db2.gz JETVSPUTIWFZCV-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CSc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000444780025 387930916 /nfs/dbraw/zinc/93/09/16/387930916.db2.gz MGOKIWNGUSIERP-UHFFFAOYSA-N 1 0 247.407 3.927 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCCC12CCC2 ZINC000444780483 387930013 /nfs/dbraw/zinc/93/00/13/387930013.db2.gz MUVBNEDJVLDZHL-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO C(C[N@@H+]1CCCC12CCC2)C1CCCC1 ZINC000444781430 387930760 /nfs/dbraw/zinc/93/07/60/387930760.db2.gz ASGUVLPNYCIGIL-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCCC23CCC3)c1 ZINC000444782102 387929470 /nfs/dbraw/zinc/92/94/70/387929470.db2.gz HSRXFTDJVPZXBE-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000444782521 387929446 /nfs/dbraw/zinc/92/94/46/387929446.db2.gz JAHBKTIELQFSRG-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000444782747 387929901 /nfs/dbraw/zinc/92/99/01/387929901.db2.gz JEZVPFNBDYXRAG-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO Clc1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000444783134 201637859 /nfs/dbraw/zinc/63/78/59/201637859.db2.gz JXMNDXZWCASVHM-UHFFFAOYSA-N 1 0 235.758 3.859 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CCCC23CCC3)c1 ZINC000444783539 387929257 /nfs/dbraw/zinc/92/92/57/387929257.db2.gz KXWLSULSLZHXNX-UHFFFAOYSA-N 1 0 247.357 3.777 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000444783587 384304079 /nfs/dbraw/zinc/30/40/79/384304079.db2.gz LFPRJDPKZXTGGL-AWEZNQCLSA-N 1 0 229.367 3.809 20 0 BHADRO C[C@H](C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000444783588 384304386 /nfs/dbraw/zinc/30/43/86/384304386.db2.gz LFPRJDPKZXTGGL-CQSZACIVSA-N 1 0 229.367 3.809 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCCC23CCC3)cc1 ZINC000444783804 387929320 /nfs/dbraw/zinc/92/93/20/387929320.db2.gz LUCPLQTTYMYYHI-UHFFFAOYSA-N 1 0 229.367 3.556 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCC3)cc1C ZINC000444783968 387930559 /nfs/dbraw/zinc/93/05/59/387930559.db2.gz MFDNAUMVWAVSGJ-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCCC12CCC2 ZINC000444784101 387929174 /nfs/dbraw/zinc/92/91/74/387929174.db2.gz USLXYJWIVHACAS-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]1CCCC12CCC2 ZINC000444786965 201636282 /nfs/dbraw/zinc/63/62/82/201636282.db2.gz PIPRMTZGYBMQJV-UHFFFAOYSA-N 1 0 233.330 3.653 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCC3)c(C)s1 ZINC000444787137 387933064 /nfs/dbraw/zinc/93/30/64/387933064.db2.gz WZMCEICOMDLBBM-UHFFFAOYSA-N 1 0 235.396 3.883 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCCC12CCC2 ZINC000444787373 387931946 /nfs/dbraw/zinc/93/19/46/387931946.db2.gz XIUCSODIXMGLRA-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO c1ccc(SCC[N@@H+]2CCCC23CCC3)cc1 ZINC000444788328 387933122 /nfs/dbraw/zinc/93/31/22/387933122.db2.gz UJBCDHRJYGOJMC-UHFFFAOYSA-N 1 0 247.407 3.797 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCCC12CCC2 ZINC000444788425 387932155 /nfs/dbraw/zinc/93/21/55/387932155.db2.gz VIDDJBBHCVIZSI-UHFFFAOYSA-N 1 0 247.407 3.927 20 0 BHADRO c1cc(CCC[N@@H+]2CCCC23CCC3)cs1 ZINC000444789103 387931514 /nfs/dbraw/zinc/93/15/14/387931514.db2.gz ZKKCTJDJFNXAHH-UHFFFAOYSA-N 1 0 235.396 3.699 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCCC23CCC3)c1 ZINC000444789858 387932616 /nfs/dbraw/zinc/93/26/16/387932616.db2.gz GGLHIKUIJMSIOF-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C(C)C ZINC000444793515 387933308 /nfs/dbraw/zinc/93/33/08/387933308.db2.gz SFAGSLZPKPEOBP-GFCCVEGCSA-N 1 0 245.288 3.987 20 0 BHADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C(C)C ZINC000444793516 387931503 /nfs/dbraw/zinc/93/15/03/387931503.db2.gz SFAGSLZPKPEOBP-LBPRGKRZSA-N 1 0 245.288 3.987 20 0 BHADRO CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444797183 388585676 /nfs/dbraw/zinc/58/56/76/388585676.db2.gz XJTURCCVEIEDCQ-CYBMUJFWSA-N 1 0 223.747 3.887 20 0 BHADRO CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444797184 388585657 /nfs/dbraw/zinc/58/56/57/388585657.db2.gz XJTURCCVEIEDCQ-ZDUSSCGKSA-N 1 0 223.747 3.887 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445204905 385162167 /nfs/dbraw/zinc/16/21/67/385162167.db2.gz CMQZMXJOLFNICJ-LLVKDONJSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445204909 385161932 /nfs/dbraw/zinc/16/19/32/385161932.db2.gz CMQZMXJOLFNICJ-NSHDSACASA-N 1 0 237.774 3.613 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@@H+](C)CC(C)C ZINC000445223389 384593266 /nfs/dbraw/zinc/59/32/66/384593266.db2.gz UOQCYMGVMWENPF-AWEZNQCLSA-N 1 0 219.372 3.514 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(C)C ZINC000445223390 384593853 /nfs/dbraw/zinc/59/38/53/384593853.db2.gz UOQCYMGVMWENPF-CQSZACIVSA-N 1 0 219.372 3.514 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000445256001 385718500 /nfs/dbraw/zinc/71/85/00/385718500.db2.gz AYPYLRZRPMRTKU-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000445256015 385719938 /nfs/dbraw/zinc/71/99/38/385719938.db2.gz AYPYLRZRPMRTKU-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000445304144 387654417 /nfs/dbraw/zinc/65/44/17/387654417.db2.gz YCQJMMLKLOGNPE-GFCCVEGCSA-N 1 0 249.423 3.531 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000445304155 387653924 /nfs/dbraw/zinc/65/39/24/387653924.db2.gz YCQJMMLKLOGNPE-LBPRGKRZSA-N 1 0 249.423 3.531 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C)n1 ZINC000445351366 387982816 /nfs/dbraw/zinc/98/28/16/387982816.db2.gz TYKYNEQGCFTHMX-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C)n1 ZINC000445351367 387981909 /nfs/dbraw/zinc/98/19/09/387981909.db2.gz TYKYNEQGCFTHMX-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C)n1 ZINC000445351368 387982419 /nfs/dbraw/zinc/98/24/19/387982419.db2.gz TYKYNEQGCFTHMX-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C)n1 ZINC000445351369 387982383 /nfs/dbraw/zinc/98/23/83/387982383.db2.gz TYKYNEQGCFTHMX-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCCCOC1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000445387760 388022353 /nfs/dbraw/zinc/02/23/53/388022353.db2.gz XDIRCLXSAUBWPY-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCOC1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000445387763 388022205 /nfs/dbraw/zinc/02/22/05/388022205.db2.gz XDIRCLXSAUBWPY-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000445426222 387401445 /nfs/dbraw/zinc/40/14/45/387401445.db2.gz IQGLLYMNMKVPBA-NEPJUHHUSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000445426226 387401108 /nfs/dbraw/zinc/40/11/08/387401108.db2.gz IQGLLYMNMKVPBA-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000445426227 387400755 /nfs/dbraw/zinc/40/07/55/387400755.db2.gz IQGLLYMNMKVPBA-RYUDHWBXSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000445426228 387401341 /nfs/dbraw/zinc/40/13/41/387401341.db2.gz IQGLLYMNMKVPBA-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000445427185 387415531 /nfs/dbraw/zinc/41/55/31/387415531.db2.gz NVPIZYIRCMELIB-NEPJUHHUSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000445427186 387416037 /nfs/dbraw/zinc/41/60/37/387416037.db2.gz NVPIZYIRCMELIB-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000445427187 387416768 /nfs/dbraw/zinc/41/67/68/387416768.db2.gz NVPIZYIRCMELIB-RYUDHWBXSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000445427188 387415995 /nfs/dbraw/zinc/41/59/95/387415995.db2.gz NVPIZYIRCMELIB-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000445427788 387430917 /nfs/dbraw/zinc/43/09/17/387430917.db2.gz RWMKUMYHAZNBRX-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000445427789 387431859 /nfs/dbraw/zinc/43/18/59/387431859.db2.gz RWMKUMYHAZNBRX-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000445427790 387432696 /nfs/dbraw/zinc/43/26/96/387432696.db2.gz RWMKUMYHAZNBRX-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000445427791 387431713 /nfs/dbraw/zinc/43/17/13/387431713.db2.gz RWMKUMYHAZNBRX-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000445428649 387435404 /nfs/dbraw/zinc/43/54/04/387435404.db2.gz XIYZMZJEAWXYHP-NEPJUHHUSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000445428650 387433588 /nfs/dbraw/zinc/43/35/88/387433588.db2.gz XIYZMZJEAWXYHP-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000445428651 387433427 /nfs/dbraw/zinc/43/34/27/387433427.db2.gz XIYZMZJEAWXYHP-RYUDHWBXSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000445428652 387433702 /nfs/dbraw/zinc/43/37/02/387433702.db2.gz XIYZMZJEAWXYHP-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000445432907 200876166 /nfs/dbraw/zinc/87/61/66/200876166.db2.gz ZNVUMNPTDQNLTO-KBPBESRZSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000445432908 387875967 /nfs/dbraw/zinc/87/59/67/387875967.db2.gz ZNVUMNPTDQNLTO-KGLIPLIRSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000445432909 387876001 /nfs/dbraw/zinc/87/60/01/387876001.db2.gz ZNVUMNPTDQNLTO-UONOGXRCSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000445432910 200875922 /nfs/dbraw/zinc/87/59/22/200875922.db2.gz ZNVUMNPTDQNLTO-ZIAGYGMSSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CC)C1 ZINC000445434310 387941074 /nfs/dbraw/zinc/94/10/74/387941074.db2.gz RZTRNLDSEUGJNL-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CC)C1 ZINC000445434311 387941359 /nfs/dbraw/zinc/94/13/59/387941359.db2.gz RZTRNLDSEUGJNL-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CC)C1 ZINC000445434312 387943174 /nfs/dbraw/zinc/94/31/74/387943174.db2.gz RZTRNLDSEUGJNL-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CC)C1 ZINC000445434313 387942569 /nfs/dbraw/zinc/94/25/69/387942569.db2.gz RZTRNLDSEUGJNL-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000445435115 387952169 /nfs/dbraw/zinc/95/21/69/387952169.db2.gz FNGXEABUFLRQCU-ABAIWWIYSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000445435116 387953118 /nfs/dbraw/zinc/95/31/18/387953118.db2.gz FNGXEABUFLRQCU-IAQYHMDHSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000445435117 387953288 /nfs/dbraw/zinc/95/32/88/387953288.db2.gz FNGXEABUFLRQCU-NHYWBVRUSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000445435118 387953630 /nfs/dbraw/zinc/95/36/30/387953630.db2.gz FNGXEABUFLRQCU-XHDPSFHLSA-N 1 0 233.330 3.545 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000445437226 387986760 /nfs/dbraw/zinc/98/67/60/387986760.db2.gz ZLNISFXYZXAWPB-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000445437227 387986668 /nfs/dbraw/zinc/98/66/68/387986668.db2.gz ZLNISFXYZXAWPB-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000445437228 387986910 /nfs/dbraw/zinc/98/69/10/387986910.db2.gz ZLNISFXYZXAWPB-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000445437229 387987123 /nfs/dbraw/zinc/98/71/23/387987123.db2.gz ZLNISFXYZXAWPB-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC1CC1 ZINC000445438691 388003635 /nfs/dbraw/zinc/00/36/35/388003635.db2.gz JWGVELCLMKIGPG-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC1CC1 ZINC000445438692 388004327 /nfs/dbraw/zinc/00/43/27/388004327.db2.gz JWGVELCLMKIGPG-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@](C)(F)C1 ZINC000445453306 387527618 /nfs/dbraw/zinc/52/76/18/387527618.db2.gz HRIAZCGHAKZDNB-BLLLJJGKSA-N 1 0 247.357 3.670 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@](C)(F)C1 ZINC000445453307 387528321 /nfs/dbraw/zinc/52/83/21/387528321.db2.gz HRIAZCGHAKZDNB-LRDDRELGSA-N 1 0 247.357 3.670 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@](C)(F)C1 ZINC000445453308 387527158 /nfs/dbraw/zinc/52/71/58/387527158.db2.gz HRIAZCGHAKZDNB-MLGOLLRUSA-N 1 0 247.357 3.670 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@](C)(F)C1 ZINC000445453309 387527892 /nfs/dbraw/zinc/52/78/92/387527892.db2.gz HRIAZCGHAKZDNB-WBMJQRKESA-N 1 0 247.357 3.670 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000445459095 387534719 /nfs/dbraw/zinc/53/47/19/387534719.db2.gz XOCVLHOEOZWISN-GFCCVEGCSA-N 1 0 235.346 3.618 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000445459096 206045857 /nfs/dbraw/zinc/04/58/57/206045857.db2.gz XOCVLHOEOZWISN-LBPRGKRZSA-N 1 0 235.346 3.618 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCCCC1 ZINC000445462242 387552014 /nfs/dbraw/zinc/55/20/14/387552014.db2.gz KDFYYCJTRBWLJM-CYBMUJFWSA-N 1 0 229.367 3.722 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCCCC1 ZINC000445462244 387551837 /nfs/dbraw/zinc/55/18/37/387551837.db2.gz KDFYYCJTRBWLJM-ZDUSSCGKSA-N 1 0 229.367 3.722 20 0 BHADRO CC(C)C[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000445466181 384903869 /nfs/dbraw/zinc/90/38/69/384903869.db2.gz ZQIVIMKKJRPWHM-JTQLQIEISA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)C[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000445466182 384901543 /nfs/dbraw/zinc/90/15/43/384901543.db2.gz ZQIVIMKKJRPWHM-SNVBAGLBSA-N 1 0 235.293 3.615 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ccc2c(c1)CCC2 ZINC000445533655 201642901 /nfs/dbraw/zinc/64/29/01/201642901.db2.gz UQXTVOQYHAALRD-GFCCVEGCSA-N 1 0 217.356 3.578 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000445533656 387949119 /nfs/dbraw/zinc/94/91/19/387949119.db2.gz UQXTVOQYHAALRD-LBPRGKRZSA-N 1 0 217.356 3.578 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000445574882 387950175 /nfs/dbraw/zinc/95/01/75/387950175.db2.gz OSRQNZFAYINJKB-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000445574883 387950206 /nfs/dbraw/zinc/95/02/06/387950206.db2.gz OSRQNZFAYINJKB-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000445574884 387949781 /nfs/dbraw/zinc/94/97/81/387949781.db2.gz OSRQNZFAYINJKB-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000445574886 387950400 /nfs/dbraw/zinc/95/04/00/387950400.db2.gz OSRQNZFAYINJKB-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000445585611 201645273 /nfs/dbraw/zinc/64/52/73/201645273.db2.gz YOQCUSLJSAKDNO-NEPJUHHUSA-N 1 0 240.416 3.613 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000445585618 387950375 /nfs/dbraw/zinc/95/03/75/387950375.db2.gz YOQCUSLJSAKDNO-NWDGAFQWSA-N 1 0 240.416 3.613 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000445585620 387951196 /nfs/dbraw/zinc/95/11/96/387951196.db2.gz YOQCUSLJSAKDNO-RYUDHWBXSA-N 1 0 240.416 3.613 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000445585621 387950673 /nfs/dbraw/zinc/95/06/73/387950673.db2.gz YOQCUSLJSAKDNO-VXGBXAGGSA-N 1 0 240.416 3.613 20 0 BHADRO CC[N@@H+](Cc1cc(F)ccc1Cl)CC1CC1 ZINC000445789399 387968622 /nfs/dbraw/zinc/96/86/22/387968622.db2.gz GGXMGGITXGOQNB-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000445791860 387968361 /nfs/dbraw/zinc/96/83/61/387968361.db2.gz AKGVNSIBAADFFL-UHFFFAOYSA-N 1 0 229.367 3.625 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1Cl)C(C)C ZINC000445796947 387967498 /nfs/dbraw/zinc/96/74/98/387967498.db2.gz CZPGIPOWFOMSDX-UHFFFAOYSA-N 1 0 229.726 3.709 20 0 BHADRO C[N@H+](Cc1cc(F)ccc1Cl)C1CCCC1 ZINC000445797590 387968819 /nfs/dbraw/zinc/96/88/19/387968819.db2.gz BGTLFMVYWVLFLQ-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CCc1ccccc1C[N@H+](C)Cc1ccoc1C ZINC000445798783 387968546 /nfs/dbraw/zinc/96/85/46/387968546.db2.gz RCORDDMOGAMIKS-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO CCc1ccccc1C[N@H+](C)C1CCCC1 ZINC000445800177 387967546 /nfs/dbraw/zinc/96/75/46/387967546.db2.gz UXAKOFWOKLTCJX-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000445805820 387968481 /nfs/dbraw/zinc/96/84/81/387968481.db2.gz OZPORKIWYMMNTD-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000445805821 387967762 /nfs/dbraw/zinc/96/77/62/387967762.db2.gz OZPORKIWYMMNTD-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO Cc1ccc(F)cc1C[NH+](C(C)C)C(C)C ZINC000445813662 201653667 /nfs/dbraw/zinc/65/36/67/201653667.db2.gz LVTSFUUOMRDQBL-UHFFFAOYSA-N 1 0 223.335 3.753 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc(F)ccc1Cl ZINC000445813938 387970269 /nfs/dbraw/zinc/97/02/69/387970269.db2.gz PHKOSYDXLZGOHI-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCC[C@H]1CSC ZINC000445814232 387970547 /nfs/dbraw/zinc/97/05/47/387970547.db2.gz SZLFZTBYEHJMDL-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCC[C@@H]1CSC ZINC000445814233 387971160 /nfs/dbraw/zinc/97/11/60/387971160.db2.gz SZLFZTBYEHJMDL-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cnoc1C ZINC000445814354 387970290 /nfs/dbraw/zinc/97/02/90/387970290.db2.gz VXSKLMSJPVSXFO-AWEZNQCLSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cnoc1C ZINC000445814355 387971024 /nfs/dbraw/zinc/97/10/24/387971024.db2.gz VXSKLMSJPVSXFO-CQSZACIVSA-N 1 0 236.359 3.528 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1Cl)C1CCC1 ZINC000445815492 387969903 /nfs/dbraw/zinc/96/99/03/387969903.db2.gz LGNPOTZQVMWGKR-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CCc1ccccc1C[N@@H+](CC)C1CCC1 ZINC000445815537 387970682 /nfs/dbraw/zinc/97/06/82/387970682.db2.gz LPLCYWFHUYLODN-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000445816728 387970668 /nfs/dbraw/zinc/97/06/68/387970668.db2.gz AFYMAURLGADUHE-UHFFFAOYSA-N 1 0 229.367 3.625 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC3(CCCC3)C2)n1 ZINC000445847703 387975310 /nfs/dbraw/zinc/97/53/10/387975310.db2.gz DNDGWPUFDILDSF-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445862105 387974495 /nfs/dbraw/zinc/97/44/95/387974495.db2.gz FSAKAUXZVLXMCR-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445862106 387975415 /nfs/dbraw/zinc/97/54/15/387975415.db2.gz FSAKAUXZVLXMCR-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445869333 387976301 /nfs/dbraw/zinc/97/63/01/387976301.db2.gz PIECWHMABZGGGI-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445869334 387977294 /nfs/dbraw/zinc/97/72/94/387977294.db2.gz PIECWHMABZGGGI-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO C1=C[C@H]([N@@H+]2CCCC3(CCCC3)C2)CCC1 ZINC000445870720 387977394 /nfs/dbraw/zinc/97/73/94/387977394.db2.gz COCYSWYELLDDCF-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CCC1 ZINC000445870721 387976312 /nfs/dbraw/zinc/97/63/12/387976312.db2.gz COCYSWYELLDDCF-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO CCc1ccccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000445990011 387983169 /nfs/dbraw/zinc/98/31/69/387983169.db2.gz ZXYDMCOSHVUNQI-GDBMZVCRSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000445990012 387982078 /nfs/dbraw/zinc/98/20/78/387982078.db2.gz ZXYDMCOSHVUNQI-GOEBONIOSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000445990013 387981648 /nfs/dbraw/zinc/98/16/48/387981648.db2.gz ZXYDMCOSHVUNQI-HOCLYGCPSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000445990014 387982169 /nfs/dbraw/zinc/98/21/69/387982169.db2.gz ZXYDMCOSHVUNQI-ZBFHGGJFSA-N 1 0 229.367 3.623 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCCC(C)(C)C2)c(C)n1 ZINC000446060281 201665540 /nfs/dbraw/zinc/66/55/40/201665540.db2.gz HIVJWGNICWIFPC-UHFFFAOYSA-N 1 0 246.398 3.711 20 0 BHADRO CC1(C)CCCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000446066278 201666845 /nfs/dbraw/zinc/66/68/45/201666845.db2.gz KATIRSHIGPDWRA-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CC1(C)CCCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000446066279 387989554 /nfs/dbraw/zinc/98/95/54/387989554.db2.gz KATIRSHIGPDWRA-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCCCC(C)(C)C1 ZINC000446068933 387992865 /nfs/dbraw/zinc/99/28/65/387992865.db2.gz GKWVEAQXMWANGF-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCCCC(C)(C)C1 ZINC000446068934 201666507 /nfs/dbraw/zinc/66/65/07/201666507.db2.gz GKWVEAQXMWANGF-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCCCC(C)(C)C1 ZINC000446069687 387992692 /nfs/dbraw/zinc/99/26/92/387992692.db2.gz FVOXKBCHYOZBMC-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCCCC(C)(C)C1 ZINC000446069688 387992797 /nfs/dbraw/zinc/99/27/97/387992797.db2.gz FVOXKBCHYOZBMC-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CC1(C)CCCC[N@H+](CCCc2ccncc2)C1 ZINC000446073230 387995192 /nfs/dbraw/zinc/99/51/92/387995192.db2.gz XKABGIKMSYCNHZ-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC1(C)CCCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000446074295 387995414 /nfs/dbraw/zinc/99/54/14/387995414.db2.gz RHRSXIXLTQUYBO-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CC(C)=CCSCCC[NH+]1CCCCC1 ZINC000446112772 387999370 /nfs/dbraw/zinc/99/93/70/387999370.db2.gz RDRXVGDBILPKFH-UHFFFAOYSA-N 1 0 227.417 3.562 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000446712895 388031215 /nfs/dbraw/zinc/03/12/15/388031215.db2.gz VSQRUSBKXPARCW-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000446712896 388031947 /nfs/dbraw/zinc/03/19/47/388031947.db2.gz VSQRUSBKXPARCW-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000446716428 388032540 /nfs/dbraw/zinc/03/25/40/388032540.db2.gz ITBHJHBPFORXFL-DLBZAZTESA-N 1 0 241.378 3.759 20 0 BHADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000446716429 388033550 /nfs/dbraw/zinc/03/35/50/388033550.db2.gz ITBHJHBPFORXFL-IAGOWNOFSA-N 1 0 241.378 3.759 20 0 BHADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000446716431 388033367 /nfs/dbraw/zinc/03/33/67/388033367.db2.gz ITBHJHBPFORXFL-IRXDYDNUSA-N 1 0 241.378 3.759 20 0 BHADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000446716433 388033148 /nfs/dbraw/zinc/03/31/48/388033148.db2.gz ITBHJHBPFORXFL-SJORKVTESA-N 1 0 241.378 3.759 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000446716929 388033908 /nfs/dbraw/zinc/03/39/08/388033908.db2.gz NWLXDLYDVWCGPT-KBPBESRZSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000446716930 388033500 /nfs/dbraw/zinc/03/35/00/388033500.db2.gz NWLXDLYDVWCGPT-KGLIPLIRSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000446716931 388033421 /nfs/dbraw/zinc/03/34/21/388033421.db2.gz NWLXDLYDVWCGPT-UONOGXRCSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000446716932 388033809 /nfs/dbraw/zinc/03/38/09/388033809.db2.gz NWLXDLYDVWCGPT-ZIAGYGMSSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000446738934 388035895 /nfs/dbraw/zinc/03/58/95/388035895.db2.gz OEYFOUCDKWWNAS-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000446738935 388035758 /nfs/dbraw/zinc/03/57/58/388035758.db2.gz OEYFOUCDKWWNAS-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000446738936 388035647 /nfs/dbraw/zinc/03/56/47/388035647.db2.gz OEYFOUCDKWWNAS-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000446738937 388034872 /nfs/dbraw/zinc/03/48/72/388034872.db2.gz OEYFOUCDKWWNAS-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000446751978 388037377 /nfs/dbraw/zinc/03/73/77/388037377.db2.gz FROYNMDLSITWCX-INIZCTEOSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000446751979 388037874 /nfs/dbraw/zinc/03/78/74/388037874.db2.gz FROYNMDLSITWCX-MRXNPFEDSA-N 1 0 229.367 3.978 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446753605 201693497 /nfs/dbraw/zinc/69/34/97/201693497.db2.gz SYQDFZOMVVWIMX-GDBMZVCRSA-N 1 0 249.398 3.616 20 0 BHADRO CC[C@H](C)[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446753606 388037202 /nfs/dbraw/zinc/03/72/02/388037202.db2.gz SYQDFZOMVVWIMX-GOEBONIOSA-N 1 0 249.398 3.616 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446753608 388036755 /nfs/dbraw/zinc/03/67/55/388036755.db2.gz SYQDFZOMVVWIMX-HOCLYGCPSA-N 1 0 249.398 3.616 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446753609 388037809 /nfs/dbraw/zinc/03/78/09/388037809.db2.gz SYQDFZOMVVWIMX-ZBFHGGJFSA-N 1 0 249.398 3.616 20 0 BHADRO CCCC[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446757516 388036855 /nfs/dbraw/zinc/03/68/55/388036855.db2.gz BIXGWHASZXEEKZ-INIZCTEOSA-N 1 0 249.398 3.618 20 0 BHADRO CCCC[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446757517 388037496 /nfs/dbraw/zinc/03/74/96/388037496.db2.gz BIXGWHASZXEEKZ-MRXNPFEDSA-N 1 0 249.398 3.618 20 0 BHADRO CCC(CC)n1ccc(C[N@H+](C(C)C)C2CC2)n1 ZINC000446758596 388037012 /nfs/dbraw/zinc/03/70/12/388037012.db2.gz KCVPOQHOFCCKSD-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)c1ccon1)c1ccccc1 ZINC000446761837 388037446 /nfs/dbraw/zinc/03/74/46/388037446.db2.gz MBHGXPGBUXMCDO-CHWSQXEVSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ccon1)c1ccccc1 ZINC000446761838 388036513 /nfs/dbraw/zinc/03/65/13/388036513.db2.gz MBHGXPGBUXMCDO-OLZOCXBDSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccon1 ZINC000446761839 386505308 /nfs/dbraw/zinc/50/53/08/386505308.db2.gz MBHGXPGBUXMCDO-QWHCGFSZSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ccon1)c1ccccc1 ZINC000446761840 386504095 /nfs/dbraw/zinc/50/40/95/386504095.db2.gz MBHGXPGBUXMCDO-STQMWFEESA-N 1 0 244.338 3.519 20 0 BHADRO CC[N@H+](CC[C@H](C)c1ccccc1)CC1CC1 ZINC000446763798 388037915 /nfs/dbraw/zinc/03/79/15/388037915.db2.gz ZEXBGKHMWXWJJX-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO CC[N@H+](CC[C@@H](C)c1ccccc1)CC1CC1 ZINC000446763799 388037948 /nfs/dbraw/zinc/03/79/48/388037948.db2.gz ZEXBGKHMWXWJJX-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)C(F)(F)F ZINC000446798638 388039611 /nfs/dbraw/zinc/03/96/11/388039611.db2.gz DKCBJHASPIZKKU-GHMZBOCLSA-N 1 0 245.288 3.578 20 0 BHADRO C[C@H](C[NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000446798639 388039070 /nfs/dbraw/zinc/03/90/70/388039070.db2.gz DKCBJHASPIZKKU-MNOVXSKESA-N 1 0 245.288 3.578 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000446798640 388039277 /nfs/dbraw/zinc/03/92/77/388039277.db2.gz DKCBJHASPIZKKU-QWRGUYRKSA-N 1 0 245.288 3.578 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000446798641 388038718 /nfs/dbraw/zinc/03/87/18/388038718.db2.gz DKCBJHASPIZKKU-WDEREUQCSA-N 1 0 245.288 3.578 20 0 BHADRO C=Cn1cc(C[NH2+]CC[C@@H](C)CC(C)(C)C)cn1 ZINC000446800208 388038393 /nfs/dbraw/zinc/03/83/93/388038393.db2.gz CCUKOPLDIJGBOX-CYBMUJFWSA-N 1 0 249.402 3.536 20 0 BHADRO C=Cn1cc(C[NH2+]CC[C@H](C)CC(C)(C)C)cn1 ZINC000446800210 388038707 /nfs/dbraw/zinc/03/87/07/388038707.db2.gz CCUKOPLDIJGBOX-ZDUSSCGKSA-N 1 0 249.402 3.536 20 0 BHADRO C[C@H](CC[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000446821043 388040368 /nfs/dbraw/zinc/04/03/68/388040368.db2.gz KMKGEVCLCVIHGI-CYBMUJFWSA-N 1 0 233.330 3.739 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000446821044 388041184 /nfs/dbraw/zinc/04/11/84/388041184.db2.gz KMKGEVCLCVIHGI-ZDUSSCGKSA-N 1 0 233.330 3.739 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](CC)C(C)C)c1ccccc1 ZINC000446830429 388039926 /nfs/dbraw/zinc/03/99/26/388039926.db2.gz SGFRAHSWQZTSTL-CVEARBPZSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000446830430 388040390 /nfs/dbraw/zinc/04/03/90/388040390.db2.gz SGFRAHSWQZTSTL-HOTGVXAUSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@H](CC)C(C)C)c1ccccc1 ZINC000446830431 388039613 /nfs/dbraw/zinc/03/96/13/388039613.db2.gz SGFRAHSWQZTSTL-HZPDHXFCSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000446830432 388038403 /nfs/dbraw/zinc/03/84/03/388038403.db2.gz SGFRAHSWQZTSTL-JKSUJKDBSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+]CC(CC)CC)c1ccccc1 ZINC000446830842 388039816 /nfs/dbraw/zinc/03/98/16/388039816.db2.gz XNAQWGVQCVKQPB-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCO[C@H](C[NH2+]CC(CC)CC)c1ccccc1 ZINC000446830843 388040841 /nfs/dbraw/zinc/04/08/41/388040841.db2.gz XNAQWGVQCVKQPB-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCOc1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000446832794 388040340 /nfs/dbraw/zinc/04/03/40/388040340.db2.gz AJKMGGFXDWGVFR-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446833917 201697706 /nfs/dbraw/zinc/69/77/06/201697706.db2.gz IOKSLNHWLSHLSA-CVEARBPZSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446833918 388039839 /nfs/dbraw/zinc/03/98/39/388039839.db2.gz IOKSLNHWLSHLSA-HOTGVXAUSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446833919 388040313 /nfs/dbraw/zinc/04/03/13/388040313.db2.gz IOKSLNHWLSHLSA-HZPDHXFCSA-N 1 0 249.398 3.933 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446833920 388040743 /nfs/dbraw/zinc/04/07/43/388040743.db2.gz IOKSLNHWLSHLSA-JKSUJKDBSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCC3)ccc1F ZINC000446837381 388040123 /nfs/dbraw/zinc/04/01/23/388040123.db2.gz ZIVVYADHIMYWSD-UHFFFAOYSA-N 1 0 233.330 3.653 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446838419 385695216 /nfs/dbraw/zinc/69/52/16/385695216.db2.gz IALMFNNLMFXXGI-GDBMZVCRSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446838420 385694512 /nfs/dbraw/zinc/69/45/12/385694512.db2.gz IALMFNNLMFXXGI-GOEBONIOSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446838421 385694580 /nfs/dbraw/zinc/69/45/80/385694580.db2.gz IALMFNNLMFXXGI-HOCLYGCPSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446838422 385694136 /nfs/dbraw/zinc/69/41/36/385694136.db2.gz IALMFNNLMFXXGI-ZBFHGGJFSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCC3)c(C)c1 ZINC000446840059 388040699 /nfs/dbraw/zinc/04/06/99/388040699.db2.gz WWDBFTTYUCTVFN-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO CCO[C@@H](C[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000446842247 388041828 /nfs/dbraw/zinc/04/18/28/388041828.db2.gz DMUSYQBMZJNEHR-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCO[C@H](C[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000446842248 201698166 /nfs/dbraw/zinc/69/81/66/201698166.db2.gz DMUSYQBMZJNEHR-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO COc1ccc(C[N@@H+]2CCCC23CCC3)cc1C ZINC000446842279 388042704 /nfs/dbraw/zinc/04/27/04/388042704.db2.gz DTXRGGXZLKUNEN-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCC3)cc1F ZINC000446842453 388041957 /nfs/dbraw/zinc/04/19/57/388041957.db2.gz FQJUKEHIACCSCF-UHFFFAOYSA-N 1 0 233.330 3.653 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CCCC23CCC3)cc1 ZINC000446842913 388042307 /nfs/dbraw/zinc/04/23/07/388042307.db2.gz IMZGBPCYHZGRTP-DAFODLJHSA-N 1 0 245.341 3.857 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CCCC23CCC3)cc1 ZINC000446842914 388042020 /nfs/dbraw/zinc/04/20/20/388042020.db2.gz IMZGBPCYHZGRTP-RJRFIUFISA-N 1 0 245.341 3.857 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446843139 201698262 /nfs/dbraw/zinc/69/82/62/201698262.db2.gz KDCRNPXLNZPMDQ-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446843140 201698482 /nfs/dbraw/zinc/69/84/82/201698482.db2.gz KDCRNPXLNZPMDQ-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446843141 388041972 /nfs/dbraw/zinc/04/19/72/388041972.db2.gz KDCRNPXLNZPMDQ-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446843142 388042424 /nfs/dbraw/zinc/04/24/24/388042424.db2.gz KDCRNPXLNZPMDQ-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCCC23CCC3)cc1 ZINC000446843308 388041697 /nfs/dbraw/zinc/04/16/97/388041697.db2.gz MHLIFLZQOZFSPR-CVEARBPZSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC23CCC3)cc1 ZINC000446843309 388042151 /nfs/dbraw/zinc/04/21/51/388042151.db2.gz MHLIFLZQOZFSPR-HOTGVXAUSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[N@@H+]2CCCC23CCC3)cc1 ZINC000446843310 388042547 /nfs/dbraw/zinc/04/25/47/388042547.db2.gz MHLIFLZQOZFSPR-HZPDHXFCSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[N@@H+]2CCCC23CCC3)cc1 ZINC000446843311 388042454 /nfs/dbraw/zinc/04/24/54/388042454.db2.gz MHLIFLZQOZFSPR-JKSUJKDBSA-N 1 0 241.378 3.809 20 0 BHADRO C[C@H](C[N@@H+]1CCCC12CCC2)c1ccc(F)cc1 ZINC000446843630 388041688 /nfs/dbraw/zinc/04/16/88/388041688.db2.gz BAQBTWUTKZWJEY-CYBMUJFWSA-N 1 0 247.357 3.948 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC12CCC2)c1ccc(F)cc1 ZINC000446843631 388042732 /nfs/dbraw/zinc/04/27/32/388042732.db2.gz BAQBTWUTKZWJEY-ZDUSSCGKSA-N 1 0 247.357 3.948 20 0 BHADRO c1oc2ccccc2c1C[N@@H+]1CCCC12CCC2 ZINC000446844258 388042526 /nfs/dbraw/zinc/04/25/26/388042526.db2.gz RZVHSJQQRUVTQP-UHFFFAOYSA-N 1 0 241.334 3.951 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]2CCCC23CCC3)c1 ZINC000446845623 388041562 /nfs/dbraw/zinc/04/15/62/388041562.db2.gz OUVATKGWXMGMOW-UHFFFAOYSA-N 1 0 233.330 3.653 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC23CCC3)s1 ZINC000446845836 201698638 /nfs/dbraw/zinc/69/86/38/201698638.db2.gz RQIPBABBNXXIFF-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)[C@H](C)CC)c1ccccc1 ZINC000446848217 388041904 /nfs/dbraw/zinc/04/19/04/388041904.db2.gz FYASJURACYSOAY-IIAWOOMASA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)[C@H](C)CC)c1ccccc1 ZINC000446848218 201696813 /nfs/dbraw/zinc/69/68/13/201696813.db2.gz FYASJURACYSOAY-IJEWVQPXSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)CC)c1ccccc1 ZINC000446848219 201697102 /nfs/dbraw/zinc/69/71/02/201697102.db2.gz FYASJURACYSOAY-OFQRWUPVSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)[C@@H](C)CC)c1ccccc1 ZINC000446848220 201698309 /nfs/dbraw/zinc/69/83/09/201698309.db2.gz FYASJURACYSOAY-SQWLQELKSA-N 1 0 249.398 3.788 20 0 BHADRO COc1cc(C[N@@H+]2CCCC23CCC3)ccc1C ZINC000446848419 388042573 /nfs/dbraw/zinc/04/25/73/388042573.db2.gz RSGBLRVAILFOKD-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO CCO[C@@H](C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000446848560 537912367 /nfs/dbraw/zinc/91/23/67/537912367.db2.gz SFEPAYUGYXOFBT-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CCO[C@H](C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000446848562 537912339 /nfs/dbraw/zinc/91/23/39/537912339.db2.gz SFEPAYUGYXOFBT-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO Clc1sccc1C[N@@H+]1CCCC12CCC2 ZINC000446849231 388042739 /nfs/dbraw/zinc/04/27/39/388042739.db2.gz XCZFBYWGBOSTTL-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000446850167 201698003 /nfs/dbraw/zinc/69/80/03/201698003.db2.gz WKCNADYQFULUON-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000446850168 201698652 /nfs/dbraw/zinc/69/86/52/201698652.db2.gz WKCNADYQFULUON-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000446850169 201697261 /nfs/dbraw/zinc/69/72/61/201697261.db2.gz WKCNADYQFULUON-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000446850170 388042467 /nfs/dbraw/zinc/04/24/67/388042467.db2.gz WKCNADYQFULUON-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC23CCC3)c1C ZINC000446851187 388042482 /nfs/dbraw/zinc/04/24/82/388042482.db2.gz HOSTUWFSXYMEIO-UHFFFAOYSA-N 1 0 229.367 3.822 20 0 BHADRO c1cc2cccc(C[N@@H+]3CCCC34CCC4)c2[nH]1 ZINC000446853262 388041921 /nfs/dbraw/zinc/04/19/21/388041921.db2.gz OTCGNFKKBMEZSY-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCCC12CCC2 ZINC000446853488 388042062 /nfs/dbraw/zinc/04/20/62/388042062.db2.gz QQSVUOFBMAUZIA-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446896182 388043610 /nfs/dbraw/zinc/04/36/10/388043610.db2.gz KCTJJZMNJJACME-AWEZNQCLSA-N 1 0 246.398 3.629 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446896183 201700474 /nfs/dbraw/zinc/70/04/74/201700474.db2.gz KCTJJZMNJJACME-CQSZACIVSA-N 1 0 246.398 3.629 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(O)c1 ZINC000446896957 201700705 /nfs/dbraw/zinc/70/07/05/201700705.db2.gz SZZSSWRIHOLODV-CXTNEJHOSA-N 1 0 247.382 3.868 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(Cl)o1)CC1CCC1 ZINC000446911576 388043230 /nfs/dbraw/zinc/04/32/30/388043230.db2.gz STUVYLUHGNFCRD-UHFFFAOYSA-N 1 0 241.762 3.944 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446915502 388044150 /nfs/dbraw/zinc/04/41/50/388044150.db2.gz VXLRWZUXYGRXLB-CYBMUJFWSA-N 1 0 246.398 3.629 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446915503 388043395 /nfs/dbraw/zinc/04/33/95/388043395.db2.gz VXLRWZUXYGRXLB-ZDUSSCGKSA-N 1 0 246.398 3.629 20 0 BHADRO Cc1ccoc1C[N@@H+](CC1CCC1)C(C)C ZINC000446919317 388044267 /nfs/dbraw/zinc/04/42/67/388044267.db2.gz FVGUZZNHHNBILV-UHFFFAOYSA-N 1 0 221.344 3.599 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000446972685 388045841 /nfs/dbraw/zinc/04/58/41/388045841.db2.gz ATYYGJJGQODKQX-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000446972686 388046774 /nfs/dbraw/zinc/04/67/74/388046774.db2.gz ATYYGJJGQODKQX-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000446972687 388046641 /nfs/dbraw/zinc/04/66/41/388046641.db2.gz ATYYGJJGQODKQX-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000446972688 388046096 /nfs/dbraw/zinc/04/60/96/388046096.db2.gz ATYYGJJGQODKQX-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cccc(O)c1 ZINC000446978215 388046318 /nfs/dbraw/zinc/04/63/18/388046318.db2.gz VTTVYQABCQMHEP-JMSVASOKSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cccc(O)c1 ZINC000446978216 388046786 /nfs/dbraw/zinc/04/67/86/388046786.db2.gz VTTVYQABCQMHEP-LALPHHSUSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000447055220 201704978 /nfs/dbraw/zinc/70/49/78/201704978.db2.gz FFUJCMYUZKXEFB-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000447055221 388050487 /nfs/dbraw/zinc/05/04/87/388050487.db2.gz FFUJCMYUZKXEFB-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)CC1CCCCC1 ZINC000447059116 388050557 /nfs/dbraw/zinc/05/05/57/388050557.db2.gz KDHGOAQDVRSGIZ-ZDUSSCGKSA-N 1 0 246.398 3.839 20 0 BHADRO CC(C)[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000447059172 388049971 /nfs/dbraw/zinc/04/99/71/388049971.db2.gz KLUAIYGGAQFENF-CYBMUJFWSA-N 1 0 240.350 3.717 20 0 BHADRO CC(C)[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000447059173 386031317 /nfs/dbraw/zinc/03/13/17/386031317.db2.gz KLUAIYGGAQFENF-ZDUSSCGKSA-N 1 0 240.350 3.717 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccco1 ZINC000447065983 388051161 /nfs/dbraw/zinc/05/11/61/388051161.db2.gz CMCXGBKNTHMGGP-LBPRGKRZSA-N 1 0 221.344 3.680 20 0 BHADRO CCSCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447067752 388052302 /nfs/dbraw/zinc/05/23/02/388052302.db2.gz LNTWBCHEYPVKEW-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CCCCC2)nc1 ZINC000447068960 206092487 /nfs/dbraw/zinc/09/24/87/206092487.db2.gz NJPCPGZDDYDYLI-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cscn1 ZINC000447071858 388051862 /nfs/dbraw/zinc/05/18/62/388051862.db2.gz DBJLYHOEKRLMOA-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cccc(O)c1 ZINC000447071868 388051989 /nfs/dbraw/zinc/05/19/89/388051989.db2.gz DGINGTGNBRPCGF-ZDUSSCGKSA-N 1 0 247.382 3.793 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000447072301 388051370 /nfs/dbraw/zinc/05/13/70/388051370.db2.gz ISQXARFEEFCCRU-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cncs1 ZINC000447072593 388052319 /nfs/dbraw/zinc/05/23/19/388052319.db2.gz LTSALYLNRABYDP-NSHDSACASA-N 1 0 238.400 3.544 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000447075463 388051609 /nfs/dbraw/zinc/05/16/09/388051609.db2.gz JZINPBJPAPWLCA-DYEKYZERSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000447075467 388052225 /nfs/dbraw/zinc/05/22/25/388052225.db2.gz JZINPBJPAPWLCA-MBNYWOFBSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000447075468 388051519 /nfs/dbraw/zinc/05/15/19/388051519.db2.gz JZINPBJPAPWLCA-OBJOEFQTSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1C[C@@H]1C ZINC000447075469 388051393 /nfs/dbraw/zinc/05/13/93/388051393.db2.gz JZINPBJPAPWLCA-SGMGOOAPSA-N 1 0 209.377 3.543 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CCCCC2)nc1 ZINC000447087921 201708638 /nfs/dbraw/zinc/70/86/38/201708638.db2.gz QLPLHTMZIVELDQ-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000447093991 388053779 /nfs/dbraw/zinc/05/37/79/388053779.db2.gz OAOLZUPTCCSICD-DZKIICNBSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C ZINC000447093992 388053027 /nfs/dbraw/zinc/05/30/27/388053027.db2.gz OAOLZUPTCCSICD-IJEWVQPXSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C ZINC000447093993 388053711 /nfs/dbraw/zinc/05/37/11/388053711.db2.gz OAOLZUPTCCSICD-OFQRWUPVSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000447093994 388053796 /nfs/dbraw/zinc/05/37/96/388053796.db2.gz OAOLZUPTCCSICD-YCPHGPKFSA-N 1 0 231.383 3.514 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1cccc(O)c1 ZINC000447094627 388052999 /nfs/dbraw/zinc/05/29/99/388052999.db2.gz UGQZZXGHTFJLNF-ZDUSSCGKSA-N 1 0 247.382 3.841 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CCCCC2)cn1 ZINC000447096000 537951795 /nfs/dbraw/zinc/95/17/95/537951795.db2.gz FZCVHASVJBNGIP-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO CCOC1CC([NH2+][C@@H](C)CC2CCCCC2)C1 ZINC000447101046 388052862 /nfs/dbraw/zinc/05/28/62/388052862.db2.gz WNBXWKGYUFBKEO-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000447102136 201708124 /nfs/dbraw/zinc/70/81/24/201708124.db2.gz ZGWHISDULUJERP-GUTXKFCHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000447102138 201708758 /nfs/dbraw/zinc/70/87/58/201708758.db2.gz ZGWHISDULUJERP-GZBFAFLISA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000447102139 388053370 /nfs/dbraw/zinc/05/33/70/388053370.db2.gz ZGWHISDULUJERP-KCQAQPDRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000447102141 388053309 /nfs/dbraw/zinc/05/33/09/388053309.db2.gz ZGWHISDULUJERP-YDHLFZDLSA-N 1 0 239.403 3.502 20 0 BHADRO Clc1cc(Cl)cc(CC[NH+]2CCCC2)c1 ZINC000447123132 388054471 /nfs/dbraw/zinc/05/44/71/388054471.db2.gz XCUMYOIBINXAFZ-UHFFFAOYSA-N 1 0 244.165 3.632 20 0 BHADRO C[N@H+](CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000447128464 388054581 /nfs/dbraw/zinc/05/45/81/388054581.db2.gz KNOZUFARAUHYOY-UHFFFAOYSA-N 1 0 244.165 3.630 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1Cl)C1CC1 ZINC000447129390 388055475 /nfs/dbraw/zinc/05/54/75/388055475.db2.gz TVTAEZGABVYOJY-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC23CCC3)c(Cl)c1 ZINC000447300831 388061839 /nfs/dbraw/zinc/06/18/39/388061839.db2.gz ZJCRLWSQLPSVBQ-UHFFFAOYSA-N 1 0 235.758 3.777 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC000447302276 388060570 /nfs/dbraw/zinc/06/05/70/388060570.db2.gz PANFOLSAHBLMBY-LLVKDONJSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC000447302278 388061379 /nfs/dbraw/zinc/06/13/79/388061379.db2.gz PANFOLSAHBLMBY-NSHDSACASA-N 1 0 223.747 3.633 20 0 BHADRO C[NH+](C)CCSCc1ccc(C2CCC2)cc1 ZINC000447305182 388061564 /nfs/dbraw/zinc/06/15/64/388061564.db2.gz LAMLUWSOUNFSHO-UHFFFAOYSA-N 1 0 249.423 3.749 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC2)c(Cl)c1 ZINC000447309376 388062992 /nfs/dbraw/zinc/06/29/92/388062992.db2.gz NDNJGQFBNSXCIU-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO COCC[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000447366881 537957443 /nfs/dbraw/zinc/95/74/43/537957443.db2.gz MAFKJSSDVKSLIK-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000447366883 537957375 /nfs/dbraw/zinc/95/73/75/537957375.db2.gz MAFKJSSDVKSLIK-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000447366884 537957818 /nfs/dbraw/zinc/95/78/18/537957818.db2.gz MAFKJSSDVKSLIK-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000447366886 537957057 /nfs/dbraw/zinc/95/70/57/537957057.db2.gz MAFKJSSDVKSLIK-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CC)Cc1nc(C(C)(C)C)cs1 ZINC000447371372 388067191 /nfs/dbraw/zinc/06/71/91/388067191.db2.gz GCRIKGQAJILRTG-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CC(C)C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000447372994 388067421 /nfs/dbraw/zinc/06/74/21/388067421.db2.gz JXJJJSQZKAOVBQ-UHFFFAOYSA-N 1 0 240.416 3.528 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCC(F)(F)F ZINC000447381157 388067049 /nfs/dbraw/zinc/06/70/49/388067049.db2.gz FXKHIBPWIWTVSB-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCC1CC1 ZINC000447381748 388066975 /nfs/dbraw/zinc/06/69/75/388066975.db2.gz HNAOMPZJBAHXIR-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447382954 388067621 /nfs/dbraw/zinc/06/76/21/388067621.db2.gz JUMVBPABZSKBGK-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCc1cccnc1 ZINC000447386015 388066886 /nfs/dbraw/zinc/06/68/86/388066886.db2.gz QFWHTOUSQYTFBR-AWEZNQCLSA-N 1 0 246.398 3.525 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447386841 388066470 /nfs/dbraw/zinc/06/64/70/388066470.db2.gz RUALECYGEYTEGA-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO COCCCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447387388 388068025 /nfs/dbraw/zinc/06/80/25/388068025.db2.gz UKDSTRFMZCOAKF-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1 ZINC000447388840 388069148 /nfs/dbraw/zinc/06/91/48/388069148.db2.gz XRFXHLPXMIGSLG-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCOC(C)(C)C ZINC000447397438 388068928 /nfs/dbraw/zinc/06/89/28/388068928.db2.gz OYCHUGXJDJILGH-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447398687 388068363 /nfs/dbraw/zinc/06/83/63/388068363.db2.gz UGZICRMZTAOKLY-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCc1ccccn1 ZINC000447398939 388069039 /nfs/dbraw/zinc/06/90/39/388069039.db2.gz VKZBKFIQTVAPHB-AWEZNQCLSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000447537163 388077083 /nfs/dbraw/zinc/07/70/83/388077083.db2.gz SWFJRGWIJNFCJG-CVEARBPZSA-N 1 0 229.367 3.871 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000447537164 388077248 /nfs/dbraw/zinc/07/72/48/388077248.db2.gz SWFJRGWIJNFCJG-HOTGVXAUSA-N 1 0 229.367 3.871 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000447537165 388076981 /nfs/dbraw/zinc/07/69/81/388076981.db2.gz SWFJRGWIJNFCJG-HZPDHXFCSA-N 1 0 229.367 3.871 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000447537166 388077101 /nfs/dbraw/zinc/07/71/01/388077101.db2.gz SWFJRGWIJNFCJG-JKSUJKDBSA-N 1 0 229.367 3.871 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000447563980 388078613 /nfs/dbraw/zinc/07/86/13/388078613.db2.gz TXJFSAHCGDBCNW-AGIUHOORSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000447563981 201723502 /nfs/dbraw/zinc/72/35/02/201723502.db2.gz TXJFSAHCGDBCNW-AVGNSLFASA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000447563982 201724879 /nfs/dbraw/zinc/72/48/79/201724879.db2.gz TXJFSAHCGDBCNW-FRRDWIJNSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000447563983 388078475 /nfs/dbraw/zinc/07/84/75/388078475.db2.gz TXJFSAHCGDBCNW-RWMBFGLXSA-N 1 0 241.419 3.604 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000447572125 201724663 /nfs/dbraw/zinc/72/46/63/201724663.db2.gz NGSBFVABVJGKTG-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000447572126 388079666 /nfs/dbraw/zinc/07/96/66/388079666.db2.gz NGSBFVABVJGKTG-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000447572127 388080094 /nfs/dbraw/zinc/08/00/94/388080094.db2.gz NGSBFVABVJGKTG-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000447572128 388079993 /nfs/dbraw/zinc/07/99/93/388079993.db2.gz NGSBFVABVJGKTG-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccoc2)c(C)o1 ZINC000447576525 388079325 /nfs/dbraw/zinc/07/93/25/388079325.db2.gz ZBIUGEFXTPWSAU-CMPLNLGQSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccoc2)c(C)o1 ZINC000447576526 388079183 /nfs/dbraw/zinc/07/91/83/388079183.db2.gz ZBIUGEFXTPWSAU-JQWIXIFHSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccoc2)c(C)o1 ZINC000447576527 388079421 /nfs/dbraw/zinc/07/94/21/388079421.db2.gz ZBIUGEFXTPWSAU-PWSUYJOCSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccoc2)c(C)o1 ZINC000447576528 388079875 /nfs/dbraw/zinc/07/98/75/388079875.db2.gz ZBIUGEFXTPWSAU-ZYHUDNBSSA-N 1 0 247.338 3.771 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)[C@@H]1CCCO1 ZINC000447577236 388080106 /nfs/dbraw/zinc/08/01/06/388080106.db2.gz GOPXBGSULAIQRP-GUTXKFCHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)[C@H]1CCCO1 ZINC000447577237 201723511 /nfs/dbraw/zinc/72/35/11/201723511.db2.gz GOPXBGSULAIQRP-GZBFAFLISA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000447577238 201724479 /nfs/dbraw/zinc/72/44/79/201724479.db2.gz GOPXBGSULAIQRP-KCQAQPDRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000447577239 388079271 /nfs/dbraw/zinc/07/92/71/388079271.db2.gz GOPXBGSULAIQRP-YDHLFZDLSA-N 1 0 239.403 3.502 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000447579230 388079934 /nfs/dbraw/zinc/07/99/34/388079934.db2.gz MOUWECWBXRGDTQ-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000447579232 201723918 /nfs/dbraw/zinc/72/39/18/201723918.db2.gz MOUWECWBXRGDTQ-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)CC1CCCCC1)C(C)C ZINC000447581623 388079211 /nfs/dbraw/zinc/07/92/11/388079211.db2.gz UEMPBCCQBVLXRU-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)CC1CCCCC1)C(C)C ZINC000447581624 388079762 /nfs/dbraw/zinc/07/97/62/388079762.db2.gz UEMPBCCQBVLXRU-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC(C(C)C)C(C)C)c1 ZINC000447592843 388080908 /nfs/dbraw/zinc/08/09/08/388080908.db2.gz NZGWTEXSZHFIPP-AWEZNQCLSA-N 1 0 248.414 3.969 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC(C(C)C)C(C)C)c1 ZINC000447592844 388081176 /nfs/dbraw/zinc/08/11/76/388081176.db2.gz NZGWTEXSZHFIPP-CQSZACIVSA-N 1 0 248.414 3.969 20 0 BHADRO C[C@@H](CC[N@H+](C)CC1CCC1)c1ccccc1 ZINC000447698577 388086696 /nfs/dbraw/zinc/08/66/96/388086696.db2.gz CTESNLSJRNQEMS-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](CC[N@H+](C)CC1CCC1)c1ccccc1 ZINC000447698582 388086844 /nfs/dbraw/zinc/08/68/44/388086844.db2.gz CTESNLSJRNQEMS-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CC[NH+](CC)CCCc1c(F)cccc1Cl ZINC000447700709 388086876 /nfs/dbraw/zinc/08/68/76/388086876.db2.gz XBMXEOYGIGRYTK-UHFFFAOYSA-N 1 0 243.753 3.754 20 0 BHADRO C=Cn1cc(C[N@H+]2CCC[C@@H]2CCCCC)cn1 ZINC000447723775 388087532 /nfs/dbraw/zinc/08/75/32/388087532.db2.gz REZULKIWFFUNLE-HNNXBMFYSA-N 1 0 247.386 3.528 20 0 BHADRO C=Cn1cc(C[N@H+]2CCC[C@H]2CCCCC)cn1 ZINC000447723776 388087589 /nfs/dbraw/zinc/08/75/89/388087589.db2.gz REZULKIWFFUNLE-OAHLLOKOSA-N 1 0 247.386 3.528 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC23CCC3)cc1Cl ZINC000447725275 388088090 /nfs/dbraw/zinc/08/80/90/388088090.db2.gz AOFZDOOJRXYNAK-UHFFFAOYSA-N 1 0 235.758 3.777 20 0 BHADRO C[C@@H](CC[N@H+](C)Cc1ccc[nH]1)c1ccccc1 ZINC000447729133 388089656 /nfs/dbraw/zinc/08/96/56/388089656.db2.gz NFNQIWMNSBABOC-AWEZNQCLSA-N 1 0 242.366 3.640 20 0 BHADRO C[C@H](CC[N@H+](C)Cc1ccc[nH]1)c1ccccc1 ZINC000447729138 388088937 /nfs/dbraw/zinc/08/89/37/388088937.db2.gz NFNQIWMNSBABOC-CQSZACIVSA-N 1 0 242.366 3.640 20 0 BHADRO COc1cc(C[N@H+](C(C)C)C2CCC2)ccc1C ZINC000447730472 388088849 /nfs/dbraw/zinc/08/88/49/388088849.db2.gz KJOUWECKSHMXBC-UHFFFAOYSA-N 1 0 247.382 3.767 20 0 BHADRO C[C@@H](CC[N@@H+]1CC[C@@](C)(F)C1)c1ccccc1 ZINC000447731828 388089566 /nfs/dbraw/zinc/08/95/66/388089566.db2.gz NTZPFMXKCKYCIQ-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@](C)(F)C1)c1ccccc1 ZINC000447731831 388088802 /nfs/dbraw/zinc/08/88/02/388088802.db2.gz NTZPFMXKCKYCIQ-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@@](C)(F)C1)c1ccccc1 ZINC000447731832 388089731 /nfs/dbraw/zinc/08/97/31/388089731.db2.gz NTZPFMXKCKYCIQ-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H](CC[N@@H+]1CC[C@](C)(F)C1)c1ccccc1 ZINC000447731833 388089353 /nfs/dbraw/zinc/08/93/53/388089353.db2.gz NTZPFMXKCKYCIQ-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1Cl ZINC000447732435 388089511 /nfs/dbraw/zinc/08/95/11/388089511.db2.gz WFCHXUZHOYQBMY-UHFFFAOYSA-N 1 0 248.757 3.609 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC12CCC2)c1ccccc1 ZINC000447732560 388089419 /nfs/dbraw/zinc/08/94/19/388089419.db2.gz XHRYJKOCZJRXOI-AWEZNQCLSA-N 1 0 229.367 3.809 20 0 BHADRO C[C@H](CC[N@@H+]1CCC12CCC2)c1ccccc1 ZINC000447732561 388089345 /nfs/dbraw/zinc/08/93/45/388089345.db2.gz XHRYJKOCZJRXOI-CQSZACIVSA-N 1 0 229.367 3.809 20 0 BHADRO C=Cn1cc(C[N@@H+](CC(C)C)C(CC)CC)cn1 ZINC000447733423 388088661 /nfs/dbraw/zinc/08/86/61/388088661.db2.gz YNQJYVQHXNSNKD-UHFFFAOYSA-N 1 0 249.402 3.630 20 0 BHADRO C[C@@H](CC[N@H+](C)CCC1CC1)c1ccccc1 ZINC000447733558 388089374 /nfs/dbraw/zinc/08/93/74/388089374.db2.gz ZNAPXMMIKHQCRP-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](CC[N@H+](C)CCC1CC1)c1ccccc1 ZINC000447733559 388089379 /nfs/dbraw/zinc/08/93/79/388089379.db2.gz ZNAPXMMIKHQCRP-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000447734925 388089705 /nfs/dbraw/zinc/08/97/05/388089705.db2.gz AHJASCGSPCIWMH-CYBMUJFWSA-N 1 0 235.371 3.624 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000447734926 388089197 /nfs/dbraw/zinc/08/91/97/388089197.db2.gz AHJASCGSPCIWMH-ZDUSSCGKSA-N 1 0 235.371 3.624 20 0 BHADRO CCC[N@H+](C)CCCc1c(F)cccc1Cl ZINC000447736049 388089190 /nfs/dbraw/zinc/08/91/90/388089190.db2.gz IZLWTAWIGLCNJL-UHFFFAOYSA-N 1 0 243.753 3.754 20 0 BHADRO C[C@@H](CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000447736178 388089575 /nfs/dbraw/zinc/08/95/75/388089575.db2.gz KCPCYXCFUMTJRO-KBPBESRZSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000447736179 388089423 /nfs/dbraw/zinc/08/94/23/388089423.db2.gz KCPCYXCFUMTJRO-KGLIPLIRSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000447736180 388089359 /nfs/dbraw/zinc/08/93/59/388089359.db2.gz KCPCYXCFUMTJRO-UONOGXRCSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000447736181 388089518 /nfs/dbraw/zinc/08/95/18/388089518.db2.gz KCPCYXCFUMTJRO-ZIAGYGMSSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000447736963 388090687 /nfs/dbraw/zinc/09/06/87/388090687.db2.gz PXSAHCFYCGZAGB-KBPBESRZSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@H](C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000447736964 388090724 /nfs/dbraw/zinc/09/07/24/388090724.db2.gz PXSAHCFYCGZAGB-KGLIPLIRSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000447736965 388090480 /nfs/dbraw/zinc/09/04/80/388090480.db2.gz PXSAHCFYCGZAGB-UONOGXRCSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000447736966 388090635 /nfs/dbraw/zinc/09/06/35/388090635.db2.gz PXSAHCFYCGZAGB-ZIAGYGMSSA-N 1 0 219.372 3.911 20 0 BHADRO CCOCC[N@H+](CC)CC[C@H](C)c1ccccc1 ZINC000447737294 388090543 /nfs/dbraw/zinc/09/05/43/388090543.db2.gz BXPFTKQKRRLIQS-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CCOCC[N@H+](CC)CC[C@@H](C)c1ccccc1 ZINC000447737295 388090867 /nfs/dbraw/zinc/09/08/67/388090867.db2.gz BXPFTKQKRRLIQS-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO C[C@@H](CC[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000447737613 388090511 /nfs/dbraw/zinc/09/05/11/388090511.db2.gz COAOVDKZRZXYIY-AWEZNQCLSA-N 1 0 243.350 3.905 20 0 BHADRO C[C@H](CC[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000447737614 388090340 /nfs/dbraw/zinc/09/03/40/388090340.db2.gz COAOVDKZRZXYIY-CQSZACIVSA-N 1 0 243.350 3.905 20 0 BHADRO C[C@@H](CC[N@@H+]1CCSC[C@@H]1C)c1ccccc1 ZINC000447737728 388090195 /nfs/dbraw/zinc/09/01/95/388090195.db2.gz DEDWUEUIMMNAMK-KBPBESRZSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](CC[N@@H+]1CCSC[C@@H]1C)c1ccccc1 ZINC000447737730 388090555 /nfs/dbraw/zinc/09/05/55/388090555.db2.gz DEDWUEUIMMNAMK-KGLIPLIRSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](CC[N@@H+]1CCSC[C@H]1C)c1ccccc1 ZINC000447737732 388090267 /nfs/dbraw/zinc/09/02/67/388090267.db2.gz DEDWUEUIMMNAMK-UONOGXRCSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](CC[N@@H+]1CCSC[C@H]1C)c1ccccc1 ZINC000447737733 388090732 /nfs/dbraw/zinc/09/07/32/388090732.db2.gz DEDWUEUIMMNAMK-ZIAGYGMSSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](CC[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000447739288 388090141 /nfs/dbraw/zinc/09/01/41/388090141.db2.gz GWKFRIHRPLSBSH-KBPBESRZSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](CC[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000447739290 388090651 /nfs/dbraw/zinc/09/06/51/388090651.db2.gz GWKFRIHRPLSBSH-KGLIPLIRSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C1CC1)[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000447739292 388090253 /nfs/dbraw/zinc/09/02/53/388090253.db2.gz GWKFRIHRPLSBSH-UONOGXRCSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](CC[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000447739294 388090173 /nfs/dbraw/zinc/09/01/73/388090173.db2.gz GWKFRIHRPLSBSH-ZIAGYGMSSA-N 1 0 231.383 3.911 20 0 BHADRO CC1=CC[N@H+](CC[C@H](C)c2ccccc2)CC1 ZINC000447739962 388090069 /nfs/dbraw/zinc/09/00/69/388090069.db2.gz ISQBZGBRKGLNND-HNNXBMFYSA-N 1 0 229.367 3.832 20 0 BHADRO CC1=CC[N@H+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447739963 388090671 /nfs/dbraw/zinc/09/06/71/388090671.db2.gz ISQBZGBRKGLNND-OAHLLOKOSA-N 1 0 229.367 3.832 20 0 BHADRO CC[N@H+](CC[C@@H](C)c1ccccc1)C1CC1 ZINC000447740766 388090576 /nfs/dbraw/zinc/09/05/76/388090576.db2.gz IITPSPRSHYSNOA-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CC[N@H+](CC[C@H](C)c1ccccc1)C1CC1 ZINC000447740767 388090331 /nfs/dbraw/zinc/09/03/31/388090331.db2.gz IITPSPRSHYSNOA-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccoc2)cc1Cl ZINC000447741281 388090434 /nfs/dbraw/zinc/09/04/34/388090434.db2.gz MMEDYWAPCMIUCQ-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1Cl ZINC000447743423 388090485 /nfs/dbraw/zinc/09/04/85/388090485.db2.gz UJNAOFVHDRHZKH-LLVKDONJSA-N 1 0 237.774 3.879 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1Cl ZINC000447743427 388090324 /nfs/dbraw/zinc/09/03/24/388090324.db2.gz UJNAOFVHDRHZKH-NSHDSACASA-N 1 0 237.774 3.879 20 0 BHADRO C[C@@H](CC[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000447744891 388090591 /nfs/dbraw/zinc/09/05/91/388090591.db2.gz ZCENRJIEJCKXTD-UONOGXRCSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H](CC[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000447744893 388090548 /nfs/dbraw/zinc/09/05/48/388090548.db2.gz ZCENRJIEJCKXTD-ZIAGYGMSSA-N 1 0 249.423 3.618 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2C)cc1Cl ZINC000447746588 388090201 /nfs/dbraw/zinc/09/02/01/388090201.db2.gz QHJJYFMRQFLZCG-LLVKDONJSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2C)cc1Cl ZINC000447746589 388090187 /nfs/dbraw/zinc/09/01/87/388090187.db2.gz QHJJYFMRQFLZCG-NSHDSACASA-N 1 0 223.747 3.633 20 0 BHADRO CC[N@H+](Cc1ccc(C)c(Cl)c1)C1CC1 ZINC000447746731 388090373 /nfs/dbraw/zinc/09/03/73/388090373.db2.gz QIUXNSIDKUAFNH-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000447748485 388090379 /nfs/dbraw/zinc/09/03/79/388090379.db2.gz XRYTYWZPEFHKGW-KBPBESRZSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000447748486 388090216 /nfs/dbraw/zinc/09/02/16/388090216.db2.gz XRYTYWZPEFHKGW-KGLIPLIRSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000447748487 388090872 /nfs/dbraw/zinc/09/08/72/388090872.db2.gz XRYTYWZPEFHKGW-UONOGXRCSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000447748488 388090521 /nfs/dbraw/zinc/09/05/21/388090521.db2.gz XRYTYWZPEFHKGW-ZIAGYGMSSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCC2)cc1Cl ZINC000447748847 388090700 /nfs/dbraw/zinc/09/07/00/388090700.db2.gz YRWRRUSTWCOWNC-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO COc1cc(C[N@H+](CC(C)C)C2CC2)ccc1C ZINC000447748907 388090823 /nfs/dbraw/zinc/09/08/23/388090823.db2.gz XXZCOJVFJZJNOZ-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)ccc1C ZINC000447749257 388090299 /nfs/dbraw/zinc/09/02/99/388090299.db2.gz YWGUFSDKDRTWRF-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)ccc1C ZINC000447749258 388089981 /nfs/dbraw/zinc/08/99/81/388089981.db2.gz YWGUFSDKDRTWRF-OAHLLOKOSA-N 1 0 247.382 3.624 20 0 BHADRO C[N@H+](CCCc1c(F)cccc1Cl)C1CC1 ZINC000447749376 388090857 /nfs/dbraw/zinc/09/08/57/388090857.db2.gz ZRNNUWHZUAKWNH-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO CC(C)C[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000447749657 388091768 /nfs/dbraw/zinc/09/17/68/388091768.db2.gz ZVENPQVUDRWHTN-AWEZNQCLSA-N 1 0 219.372 3.768 20 0 BHADRO CC(C)C[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000447749658 388091448 /nfs/dbraw/zinc/09/14/48/388091448.db2.gz ZVENPQVUDRWHTN-CQSZACIVSA-N 1 0 219.372 3.768 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccco2)cc1Cl ZINC000447793113 384924578 /nfs/dbraw/zinc/92/45/78/384924578.db2.gz AAIWQDBXRSVGSO-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO CC(C)[N@H+](C)CCCc1c(F)cccc1Cl ZINC000447793360 388092612 /nfs/dbraw/zinc/09/26/12/388092612.db2.gz BTHUQDDCLLQMMW-UHFFFAOYSA-N 1 0 243.753 3.752 20 0 BHADRO C[C@@H](CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000447795288 388092815 /nfs/dbraw/zinc/09/28/15/388092815.db2.gz NAWWZOGTTJVQMF-AWEZNQCLSA-N 1 0 243.350 3.905 20 0 BHADRO C[C@H](CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000447795289 388093066 /nfs/dbraw/zinc/09/30/66/388093066.db2.gz NAWWZOGTTJVQMF-CQSZACIVSA-N 1 0 243.350 3.905 20 0 BHADRO Fc1cccc(Cl)c1CCC[NH+]1CCCC1 ZINC000447796492 388092697 /nfs/dbraw/zinc/09/26/97/388092697.db2.gz VZMYWTWKTROVGR-UHFFFAOYSA-N 1 0 241.737 3.508 20 0 BHADRO CC[N@H+](CC[C@H](C)c1ccccc1)C(C)C ZINC000447797152 388092175 /nfs/dbraw/zinc/09/21/75/388092175.db2.gz GMQBQTJSWNIJJB-AWEZNQCLSA-N 1 0 219.372 3.911 20 0 BHADRO CC[N@H+](CC[C@@H](C)c1ccccc1)C(C)C ZINC000447797153 388093085 /nfs/dbraw/zinc/09/30/85/388093085.db2.gz GMQBQTJSWNIJJB-CQSZACIVSA-N 1 0 219.372 3.911 20 0 BHADRO CCCC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000447797855 388093639 /nfs/dbraw/zinc/09/36/39/388093639.db2.gz OJMQPTVGPYWDON-AWEZNQCLSA-N 1 0 219.372 3.912 20 0 BHADRO CCCC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000447797856 388093325 /nfs/dbraw/zinc/09/33/25/388093325.db2.gz OJMQPTVGPYWDON-CQSZACIVSA-N 1 0 219.372 3.912 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000447813611 388093737 /nfs/dbraw/zinc/09/37/37/388093737.db2.gz SRAPJGKGYKSKAP-UHFFFAOYSA-N 1 0 235.371 3.672 20 0 BHADRO CCCC1(C[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000447817371 388094868 /nfs/dbraw/zinc/09/48/68/388094868.db2.gz NUMBUCDNCPGQCU-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO CC(C)[NH2+]C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000448025193 384491416 /nfs/dbraw/zinc/49/14/16/384491416.db2.gz CEBNDGMILDXMDM-BBRMVZONSA-N 1 0 231.383 3.912 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448027860 384529670 /nfs/dbraw/zinc/52/96/70/384529670.db2.gz NXGLDXKQSNMJMZ-LLVKDONJSA-N 1 0 247.313 3.974 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448027863 384531086 /nfs/dbraw/zinc/53/10/86/384531086.db2.gz NXGLDXKQSNMJMZ-NSHDSACASA-N 1 0 247.313 3.974 20 0 BHADRO Fc1cccc(CCC[NH2+]C2CC3(CCC3)C2)c1 ZINC000448056337 345157409 /nfs/dbraw/zinc/15/74/09/345157409.db2.gz MDZSUZSDPCLJFD-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO c1ccc(SCC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448056345 345157749 /nfs/dbraw/zinc/15/77/49/345157749.db2.gz MFNXMYDJTSNMPP-UHFFFAOYSA-N 1 0 247.407 3.701 20 0 BHADRO CCOc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448058085 323004769 /nfs/dbraw/zinc/00/47/69/323004769.db2.gz IUDUATQRANWYRK-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448058825 219851754 /nfs/dbraw/zinc/85/17/54/219851754.db2.gz SXFOVSMOQAQKBR-AWEZNQCLSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448058826 384888182 /nfs/dbraw/zinc/88/81/82/384888182.db2.gz SXFOVSMOQAQKBR-CQSZACIVSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+]C1CC2(CCC2)C1 ZINC000448058959 384887533 /nfs/dbraw/zinc/88/75/33/384887533.db2.gz VBEMEBTWQRLTIA-AWEZNQCLSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CC2(CCC2)C1 ZINC000448058960 384886237 /nfs/dbraw/zinc/88/62/37/384886237.db2.gz VBEMEBTWQRLTIA-CQSZACIVSA-N 1 0 241.378 3.639 20 0 BHADRO CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448059136 384890347 /nfs/dbraw/zinc/89/03/47/384890347.db2.gz XEHYQNMWQLNZFE-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448059634 384893917 /nfs/dbraw/zinc/89/39/17/384893917.db2.gz CKAFTEVENURDGO-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448059635 205498359 /nfs/dbraw/zinc/49/83/59/205498359.db2.gz CKAFTEVENURDGO-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO Clc1ccc(CC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448059830 384898097 /nfs/dbraw/zinc/89/80/97/384898097.db2.gz FPIRABOSLODXBP-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO c1ccc(CCC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448061555 384915659 /nfs/dbraw/zinc/91/56/59/384915659.db2.gz WLOSMOCMNVQOAX-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448061800 384919631 /nfs/dbraw/zinc/91/96/31/384919631.db2.gz YEFQMVNHPAIJKL-INIZCTEOSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448061801 200698072 /nfs/dbraw/zinc/69/80/72/200698072.db2.gz YEFQMVNHPAIJKL-MRXNPFEDSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448062492 384924423 /nfs/dbraw/zinc/92/44/23/384924423.db2.gz BJWCNTUKSOEAPM-HNNXBMFYSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448062493 384922409 /nfs/dbraw/zinc/92/24/09/384922409.db2.gz BJWCNTUKSOEAPM-OAHLLOKOSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000448062786 384927321 /nfs/dbraw/zinc/92/73/21/384927321.db2.gz FCCRPIIFXVJJKX-CYBMUJFWSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000448062787 200697163 /nfs/dbraw/zinc/69/71/63/200697163.db2.gz FCCRPIIFXVJJKX-ZDUSSCGKSA-N 1 0 229.367 3.978 20 0 BHADRO CSc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448062795 384928546 /nfs/dbraw/zinc/92/85/46/384928546.db2.gz FFBIPWRYQFMSIU-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO CCc1ccc(CC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448063032 537956636 /nfs/dbraw/zinc/95/66/36/537956636.db2.gz HHIVKWDRNUQGHG-UHFFFAOYSA-N 1 0 243.394 3.714 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448064141 200698649 /nfs/dbraw/zinc/69/86/49/200698649.db2.gz DNUINGXNFWCMIX-CYBMUJFWSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448064142 384942169 /nfs/dbraw/zinc/94/21/69/384942169.db2.gz DNUINGXNFWCMIX-ZDUSSCGKSA-N 1 0 229.367 3.978 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448065656 384954924 /nfs/dbraw/zinc/95/49/24/384954924.db2.gz XEKSDVAIJHQILP-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448065657 384951977 /nfs/dbraw/zinc/95/19/77/384951977.db2.gz XEKSDVAIJHQILP-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO CC(C)(C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448066935 384960446 /nfs/dbraw/zinc/96/04/46/384960446.db2.gz GSELACIYLYGEIS-UHFFFAOYSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(CCC2)C1)Cc1cccs1 ZINC000448067229 384959271 /nfs/dbraw/zinc/95/92/71/384959271.db2.gz ICOLKJNUZFQSJW-GFCCVEGCSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](C[NH2+]C1CC2(CCC2)C1)Cc1cccs1 ZINC000448067230 384961886 /nfs/dbraw/zinc/96/18/86/384961886.db2.gz ICOLKJNUZFQSJW-LBPRGKRZSA-N 1 0 249.423 3.849 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]C2CC3(CCC3)C2)s1 ZINC000448067747 384964638 /nfs/dbraw/zinc/96/46/38/384964638.db2.gz SCNVKMBPOACEQK-LLVKDONJSA-N 1 0 249.423 3.910 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]C2CC3(CCC3)C2)s1 ZINC000448067848 384964471 /nfs/dbraw/zinc/96/44/71/384964471.db2.gz SCNVKMBPOACEQK-NSHDSACASA-N 1 0 249.423 3.910 20 0 BHADRO Cc1ccc(C[NH2+]C2CC3(CCC3)C2)c(C)c1 ZINC000448067854 384965353 /nfs/dbraw/zinc/96/53/53/384965353.db2.gz SDOCVDGZEOFLHQ-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@H](C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448068988 384979781 /nfs/dbraw/zinc/97/97/81/384979781.db2.gz YVJJUOMRZWIXLH-CYBMUJFWSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448068989 384979717 /nfs/dbraw/zinc/97/97/17/384979717.db2.gz YVJJUOMRZWIXLH-ZDUSSCGKSA-N 1 0 229.367 3.712 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC3(CCC3)C2)c(C)o1 ZINC000448069392 384983221 /nfs/dbraw/zinc/98/32/21/384983221.db2.gz MSJVBVSSSBCFBN-LLVKDONJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC3(CCC3)C2)c(C)o1 ZINC000448069401 384982163 /nfs/dbraw/zinc/98/21/63/384982163.db2.gz MSJVBVSSSBCFBN-NSHDSACASA-N 1 0 233.355 3.880 20 0 BHADRO Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1F ZINC000448069561 200698802 /nfs/dbraw/zinc/69/88/02/200698802.db2.gz NHCFEPIFIYPYCT-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448069586 384983556 /nfs/dbraw/zinc/98/35/56/384983556.db2.gz NKIDEDFZNZWPPO-CYBMUJFWSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448069588 384982957 /nfs/dbraw/zinc/98/29/57/384982957.db2.gz NKIDEDFZNZWPPO-ZDUSSCGKSA-N 1 0 231.339 3.579 20 0 BHADRO Cc1cc(C[NH2+]C2CC3(CCC3)C2)ccc1F ZINC000448069770 384982745 /nfs/dbraw/zinc/98/27/45/384982745.db2.gz OGXAALFCPUQIIY-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000448071264 384993844 /nfs/dbraw/zinc/99/38/44/384993844.db2.gz NGWIIQAONSSABD-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000448071265 384992380 /nfs/dbraw/zinc/99/23/80/384992380.db2.gz NGWIIQAONSSABD-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO Clc1cccc(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000448071276 384992616 /nfs/dbraw/zinc/99/26/16/384992616.db2.gz NHULTIPXSWQDEC-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO Clc1ccccc1CC[NH2+]C1CC2(CCC2)C1 ZINC000448072176 385001350 /nfs/dbraw/zinc/00/13/50/385001350.db2.gz ZKPCOZBGRRAXBG-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+]C1CC2(CCC2)C1 ZINC000448072251 385001530 /nfs/dbraw/zinc/00/15/30/385001530.db2.gz RFAZQSHBWYVIAS-UHFFFAOYSA-N 1 0 247.357 3.599 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000448072961 200699285 /nfs/dbraw/zinc/69/92/85/200699285.db2.gz AODUJOHYQFJALI-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000448072962 385003018 /nfs/dbraw/zinc/00/30/18/385003018.db2.gz AODUJOHYQFJALI-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO CCOc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448073209 385010995 /nfs/dbraw/zinc/01/09/95/385010995.db2.gz YHBSBEXTXQIWHR-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CC(C)(C[NH2+]C1CC2(CCC2)C1)c1cccs1 ZINC000448073680 385010363 /nfs/dbraw/zinc/01/03/63/385010363.db2.gz FGSLSAJSHQNFSS-UHFFFAOYSA-N 1 0 249.423 3.948 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448073981 200699375 /nfs/dbraw/zinc/69/93/75/200699375.db2.gz IIIMENINODAYTP-HNNXBMFYSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448073982 398339729 /nfs/dbraw/zinc/33/97/29/398339729.db2.gz IIIMENINODAYTP-OAHLLOKOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1CC2(CCC2)C1 ZINC000448075338 323006815 /nfs/dbraw/zinc/00/68/15/323006815.db2.gz VNLJBIOAONPJCD-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1CC2(CCC2)C1 ZINC000448075339 323006738 /nfs/dbraw/zinc/00/67/38/323006738.db2.gz VNLJBIOAONPJCD-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO CCc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448075662 385027222 /nfs/dbraw/zinc/02/72/22/385027222.db2.gz WVJSHSKSBYQPSQ-UHFFFAOYSA-N 1 0 229.367 3.671 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000448076444 385027084 /nfs/dbraw/zinc/02/70/84/385027084.db2.gz GMXMLKGHVWXAJT-UHFFFAOYSA-N 1 0 243.394 3.768 20 0 BHADRO Cc1ccc(CC[NH2+]C2CC3(CCC3)C2)c(C)c1 ZINC000448076910 385031201 /nfs/dbraw/zinc/03/12/01/385031201.db2.gz KEMZDGWYOARMBN-UHFFFAOYSA-N 1 0 243.394 3.768 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448212745 384925162 /nfs/dbraw/zinc/92/51/62/384925162.db2.gz JQLYKOWJJZAMFM-JTQLQIEISA-N 1 0 240.416 3.671 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448212746 384922473 /nfs/dbraw/zinc/92/24/73/384922473.db2.gz JQLYKOWJJZAMFM-SNVBAGLBSA-N 1 0 240.416 3.671 20 0 BHADRO CC[N@H+](Cc1ncc(C(C)(C)C)s1)C(C)C ZINC000448214110 384924403 /nfs/dbraw/zinc/92/44/03/384924403.db2.gz RIANAWYYWLVUEA-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC(C)C[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448223269 384931664 /nfs/dbraw/zinc/93/16/64/384931664.db2.gz NGMKMBOYGKXINZ-UHFFFAOYSA-N 1 0 240.416 3.528 20 0 BHADRO CCC[N@H+](CC)Cc1ncc(C(C)(C)C)s1 ZINC000448225369 384937835 /nfs/dbraw/zinc/93/78/35/384937835.db2.gz VRCXDZUDYPVUBQ-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CC(C)(CF)[NH2+]Cc1cccc2ccccc21 ZINC000448331323 385438653 /nfs/dbraw/zinc/43/86/53/385438653.db2.gz HUWQXHAEFUHOJT-UHFFFAOYSA-N 1 0 231.314 3.678 20 0 BHADRO CCC(CC)n1ccc(C[N@@H+]2CCCC[C@H]2C)n1 ZINC000448453468 201050030 /nfs/dbraw/zinc/05/00/30/201050030.db2.gz YTZLOCBXHKPCTO-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CCC(CC)n1ccc(C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000448453469 201049101 /nfs/dbraw/zinc/04/91/01/201049101.db2.gz YTZLOCBXHKPCTO-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO CCC1([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000448552501 201242412 /nfs/dbraw/zinc/24/24/12/201242412.db2.gz ABPJPJZTFDVIAY-HNNXBMFYSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000448552502 201243950 /nfs/dbraw/zinc/24/39/50/201243950.db2.gz ABPJPJZTFDVIAY-OAHLLOKOSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000448552515 201243320 /nfs/dbraw/zinc/24/33/20/201243320.db2.gz DILWMLLYZBNDIG-LLVKDONJSA-N 1 0 221.369 3.658 20 0 BHADRO CCC1([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000448552516 201243422 /nfs/dbraw/zinc/24/34/22/201243422.db2.gz DILWMLLYZBNDIG-NSHDSACASA-N 1 0 221.369 3.658 20 0 BHADRO CCC1([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000448552517 201243626 /nfs/dbraw/zinc/24/36/26/201243626.db2.gz DJGLOQBNHRFCHN-HNNXBMFYSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000448552518 201244302 /nfs/dbraw/zinc/24/43/02/201244302.db2.gz DJGLOQBNHRFCHN-OAHLLOKOSA-N 1 0 245.366 3.605 20 0 BHADRO CSCC1CCC([NH2+]C2(C(C)C)CC2)CC1 ZINC000448552523 201243773 /nfs/dbraw/zinc/24/37/73/201243773.db2.gz DOUIZSRISQCOCY-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2(CC)CC2)s1 ZINC000448552524 201242661 /nfs/dbraw/zinc/24/26/61/201242661.db2.gz FAOAZGCEMFTBDU-JTQLQIEISA-N 1 0 223.385 3.904 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2(CC)CC2)s1 ZINC000448552525 201243687 /nfs/dbraw/zinc/24/36/87/201243687.db2.gz FAOAZGCEMFTBDU-SNVBAGLBSA-N 1 0 223.385 3.904 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000448552537 201242809 /nfs/dbraw/zinc/24/28/09/201242809.db2.gz GLPLJAVYAWVMMK-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000448552538 201243138 /nfs/dbraw/zinc/24/31/38/201243138.db2.gz GLPLJAVYAWVMMK-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1(CC)CC1 ZINC000448552547 201244147 /nfs/dbraw/zinc/24/41/47/201244147.db2.gz HTRKTZJVAYVDMD-AWEZNQCLSA-N 1 0 217.356 3.540 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1(CC)CC1 ZINC000448552548 201243590 /nfs/dbraw/zinc/24/35/90/201243590.db2.gz HTRKTZJVAYVDMD-CQSZACIVSA-N 1 0 217.356 3.540 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000448552555 201243857 /nfs/dbraw/zinc/24/38/57/201243857.db2.gz JCQAEBBFPNEKKP-JTQLQIEISA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000448552556 201243614 /nfs/dbraw/zinc/24/36/14/201243614.db2.gz JCQAEBBFPNEKKP-SNVBAGLBSA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000448552561 201242684 /nfs/dbraw/zinc/24/26/84/201242684.db2.gz JSUQEOCTEWGBPI-CYBMUJFWSA-N 1 0 217.356 3.540 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000448552562 201243310 /nfs/dbraw/zinc/24/33/10/201243310.db2.gz JSUQEOCTEWGBPI-ZDUSSCGKSA-N 1 0 217.356 3.540 20 0 BHADRO CCC1([NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000448552573 201243200 /nfs/dbraw/zinc/24/32/00/201243200.db2.gz JYJPOZKQFLZSHP-AWEZNQCLSA-N 1 0 215.340 3.515 20 0 BHADRO CCC1([NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000448552574 201244140 /nfs/dbraw/zinc/24/41/40/201244140.db2.gz JYJPOZKQFLZSHP-CQSZACIVSA-N 1 0 215.340 3.515 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccccc1F ZINC000448552575 201243800 /nfs/dbraw/zinc/24/38/00/201243800.db2.gz KCUWDPIKADYFCP-CYBMUJFWSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccccc1F ZINC000448552576 201243082 /nfs/dbraw/zinc/24/30/82/201243082.db2.gz KCUWDPIKADYFCP-ZDUSSCGKSA-N 1 0 221.319 3.809 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000448552579 201243560 /nfs/dbraw/zinc/24/35/60/201243560.db2.gz KXBMPOIGCJYTRB-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000448552580 201243030 /nfs/dbraw/zinc/24/30/30/201243030.db2.gz KXBMPOIGCJYTRB-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000448552581 201242669 /nfs/dbraw/zinc/24/26/69/201242669.db2.gz LFFQPKXEBCTPFN-JTQLQIEISA-N 1 0 223.385 3.958 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000448552582 201243963 /nfs/dbraw/zinc/24/39/63/201243963.db2.gz LFFQPKXEBCTPFN-SNVBAGLBSA-N 1 0 223.385 3.958 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000448552584 201242817 /nfs/dbraw/zinc/24/28/17/201242817.db2.gz LWSYGQBMERDBCX-GFCCVEGCSA-N 1 0 203.329 3.588 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000448552585 201244289 /nfs/dbraw/zinc/24/42/89/201244289.db2.gz LWSYGQBMERDBCX-LBPRGKRZSA-N 1 0 203.329 3.588 20 0 BHADRO CCC1([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000448552592 201242758 /nfs/dbraw/zinc/24/27/58/201242758.db2.gz MNCVXGHHLNKKKH-UHFFFAOYSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000448552597 201244086 /nfs/dbraw/zinc/24/40/86/201244086.db2.gz MWCRWTYFHHEMIG-JTQLQIEISA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000448552598 201242858 /nfs/dbraw/zinc/24/28/58/201242858.db2.gz MWCRWTYFHHEMIG-SNVBAGLBSA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000448552599 201243566 /nfs/dbraw/zinc/24/35/66/201243566.db2.gz NAPWIZQJGRAJHJ-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000448552600 201242582 /nfs/dbraw/zinc/24/25/82/201242582.db2.gz NAPWIZQJGRAJHJ-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccc(OC)cc1 ZINC000448552603 201242672 /nfs/dbraw/zinc/24/26/72/201242672.db2.gz NYLCPDVPXUBLEG-AWEZNQCLSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccc(OC)cc1 ZINC000448552604 201242459 /nfs/dbraw/zinc/24/24/59/201242459.db2.gz NYLCPDVPXUBLEG-CQSZACIVSA-N 1 0 233.355 3.679 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000448552616 201243907 /nfs/dbraw/zinc/24/39/07/201243907.db2.gz PZQKZDOQLUDACJ-SECBINFHSA-N 1 0 225.282 3.558 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000448552617 201243574 /nfs/dbraw/zinc/24/35/74/201243574.db2.gz PZQKZDOQLUDACJ-VIFPVBQESA-N 1 0 225.282 3.558 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C(C)C)CC2)cs1 ZINC000448552618 201244346 /nfs/dbraw/zinc/24/43/46/201244346.db2.gz PZTPXZPWFNGEST-LLVKDONJSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C(C)C)CC2)cs1 ZINC000448552619 201243155 /nfs/dbraw/zinc/24/31/55/201243155.db2.gz PZTPXZPWFNGEST-NSHDSACASA-N 1 0 223.385 3.896 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000448552620 201243618 /nfs/dbraw/zinc/24/36/18/201243618.db2.gz QCTUVQNCHGQSPO-GFCCVEGCSA-N 1 0 203.329 3.588 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000448552621 201243508 /nfs/dbraw/zinc/24/35/08/201243508.db2.gz QCTUVQNCHGQSPO-LBPRGKRZSA-N 1 0 203.329 3.588 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C1(CC)CC1 ZINC000448552628 201243501 /nfs/dbraw/zinc/24/35/01/201243501.db2.gz QYNVVRDKGXYLTO-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C1(CC)CC1 ZINC000448552629 201242473 /nfs/dbraw/zinc/24/24/73/201242473.db2.gz QYNVVRDKGXYLTO-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccccc1OC ZINC000448552632 201243609 /nfs/dbraw/zinc/24/36/09/201243609.db2.gz REOSGNGGXHFRHO-CYBMUJFWSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccccc1OC ZINC000448552633 201243454 /nfs/dbraw/zinc/24/34/54/201243454.db2.gz REOSGNGGXHFRHO-ZDUSSCGKSA-N 1 0 233.355 3.679 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000448552641 201242576 /nfs/dbraw/zinc/24/25/76/201242576.db2.gz RYAYXFAMZAGHRN-BXUZGUMPSA-N 1 0 215.340 3.767 20 0 BHADRO CCC1([NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000448552642 201243416 /nfs/dbraw/zinc/24/34/16/201243416.db2.gz RYAYXFAMZAGHRN-FZMZJTMJSA-N 1 0 215.340 3.767 20 0 BHADRO CCC1([NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000448552643 201243248 /nfs/dbraw/zinc/24/32/48/201243248.db2.gz RYAYXFAMZAGHRN-RISCZKNCSA-N 1 0 215.340 3.767 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000448552644 201243266 /nfs/dbraw/zinc/24/32/66/201243266.db2.gz RYAYXFAMZAGHRN-SMDDNHRTSA-N 1 0 215.340 3.767 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000448552645 201242832 /nfs/dbraw/zinc/24/28/32/201242832.db2.gz SBKHFKMNCSMOBQ-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000448552646 201243883 /nfs/dbraw/zinc/24/38/83/201243883.db2.gz SBKHFKMNCSMOBQ-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000448552647 201243737 /nfs/dbraw/zinc/24/37/37/201243737.db2.gz SBKHFKMNCSMOBQ-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000448552648 201243159 /nfs/dbraw/zinc/24/31/59/201243159.db2.gz SBKHFKMNCSMOBQ-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000448552649 201242798 /nfs/dbraw/zinc/24/27/98/201242798.db2.gz SKXWLLILKSKMRN-MRVPVSSYSA-N 1 0 229.776 3.995 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000448552650 201243128 /nfs/dbraw/zinc/24/31/28/201243128.db2.gz SKXWLLILKSKMRN-QMMMGPOBSA-N 1 0 229.776 3.995 20 0 BHADRO CCC1([NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000448552655 201243855 /nfs/dbraw/zinc/24/38/55/201243855.db2.gz UDWYFJDPMXOBTO-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CCC1([NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000448552656 201242408 /nfs/dbraw/zinc/24/24/08/201242408.db2.gz UDWYFJDPMXOBTO-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000448552657 201243905 /nfs/dbraw/zinc/24/39/05/201243905.db2.gz UFMIFPGOXNULOC-CYBMUJFWSA-N 1 0 247.382 3.549 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000448552658 201244066 /nfs/dbraw/zinc/24/40/66/201244066.db2.gz UFMIFPGOXNULOC-ZDUSSCGKSA-N 1 0 247.382 3.549 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000448552659 201243911 /nfs/dbraw/zinc/24/39/11/201243911.db2.gz UFRMTSRJLIJSRF-JTQLQIEISA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000448552660 201244175 /nfs/dbraw/zinc/24/41/75/201244175.db2.gz UFRMTSRJLIJSRF-SNVBAGLBSA-N 1 0 223.747 3.933 20 0 BHADRO CCC1([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000448552665 201244048 /nfs/dbraw/zinc/24/40/48/201244048.db2.gz UOHULKFIAVFDQD-MRVPVSSYSA-N 1 0 229.776 3.995 20 0 BHADRO CCC1([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000448552666 201242728 /nfs/dbraw/zinc/24/27/28/201242728.db2.gz UOHULKFIAVFDQD-QMMMGPOBSA-N 1 0 229.776 3.995 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccc(F)cc1 ZINC000448552671 201242781 /nfs/dbraw/zinc/24/27/81/201242781.db2.gz WLZINXIPUJBYJU-CYBMUJFWSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccc(F)cc1 ZINC000448552672 201242802 /nfs/dbraw/zinc/24/28/02/201242802.db2.gz WLZINXIPUJBYJU-ZDUSSCGKSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1cccc(F)c1 ZINC000448552673 201242444 /nfs/dbraw/zinc/24/24/44/201242444.db2.gz WUHCXCCTUPEFNE-CYBMUJFWSA-N 1 0 221.319 3.809 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1cccc(F)c1 ZINC000448552674 201243289 /nfs/dbraw/zinc/24/32/89/201243289.db2.gz WUHCXCCTUPEFNE-ZDUSSCGKSA-N 1 0 221.319 3.809 20 0 BHADRO CCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000448552675 201242752 /nfs/dbraw/zinc/24/27/52/201242752.db2.gz XAUXGOGJYMMVRL-GFCCVEGCSA-N 1 0 203.329 3.588 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000448552676 201245213 /nfs/dbraw/zinc/24/52/13/201245213.db2.gz XAUXGOGJYMMVRL-LBPRGKRZSA-N 1 0 203.329 3.588 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2(CC)CC2)cc1 ZINC000448552679 201245485 /nfs/dbraw/zinc/24/54/85/201245485.db2.gz XUOYAADBXNTCSJ-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2(CC)CC2)cc1 ZINC000448552680 201244650 /nfs/dbraw/zinc/24/46/50/201244650.db2.gz XUOYAADBXNTCSJ-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1ccsc1 ZINC000448552687 201246409 /nfs/dbraw/zinc/24/64/09/201246409.db2.gz YMOPLDVQQADGTR-GFCCVEGCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1ccsc1 ZINC000448552688 201245865 /nfs/dbraw/zinc/24/58/65/201245865.db2.gz YMOPLDVQQADGTR-LBPRGKRZSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccccc1 ZINC000448552691 201245145 /nfs/dbraw/zinc/24/51/45/201245145.db2.gz YTYHRSZRIBKGKP-CYBMUJFWSA-N 1 0 203.329 3.670 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccccc1 ZINC000448552692 201246244 /nfs/dbraw/zinc/24/62/44/201246244.db2.gz YTYHRSZRIBKGKP-ZDUSSCGKSA-N 1 0 203.329 3.670 20 0 BHADRO CCC1([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000448552701 201245833 /nfs/dbraw/zinc/24/58/33/201245833.db2.gz ZOVLMTPTGSRNBR-AWEZNQCLSA-N 1 0 215.340 3.596 20 0 BHADRO CCC1([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000448552702 201244832 /nfs/dbraw/zinc/24/48/32/201244832.db2.gz ZOVLMTPTGSRNBR-CQSZACIVSA-N 1 0 215.340 3.596 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1cccs1 ZINC000448552704 201245700 /nfs/dbraw/zinc/24/57/00/201245700.db2.gz ZPFLNSVYNLOVGL-JTQLQIEISA-N 1 0 209.358 3.731 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1cccs1 ZINC000448552705 201245685 /nfs/dbraw/zinc/24/56/85/201245685.db2.gz ZPFLNSVYNLOVGL-SNVBAGLBSA-N 1 0 209.358 3.731 20 0 BHADRO COc1cc2ccccc2cc1C[N@H+](C)C(C)C ZINC000449001110 388127509 /nfs/dbraw/zinc/12/75/09/388127509.db2.gz BMCWMACXBYPFGC-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO COc1cc(C[N@H+](C)C(C)C)cc2ccccc21 ZINC000449001765 388126929 /nfs/dbraw/zinc/12/69/29/388126929.db2.gz GESOMMCGUBUMPX-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000449002014 410581169 /nfs/dbraw/zinc/58/11/69/410581169.db2.gz ILBCIACAPAYMII-CYBMUJFWSA-N 1 0 244.338 3.592 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000449002015 410581553 /nfs/dbraw/zinc/58/15/53/410581553.db2.gz ILBCIACAPAYMII-ZDUSSCGKSA-N 1 0 244.338 3.592 20 0 BHADRO CCC[NH+](CCC)Cc1ccnn1C1CCCC1 ZINC000449002391 388126815 /nfs/dbraw/zinc/12/68/15/388126815.db2.gz KNHYKWSDEJMCFA-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO C[N@H+](Cc1cc2cccnc2o1)C1CCCCC1 ZINC000449003027 388127672 /nfs/dbraw/zinc/12/76/72/388127672.db2.gz OQPARICUKBZTNW-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO COc1cccc2c(C[N@H+](C)C(C)C)cccc12 ZINC000449003570 385249604 /nfs/dbraw/zinc/24/96/04/385249604.db2.gz RESKOORCXJNXOD-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccncc1F ZINC000449003755 388127549 /nfs/dbraw/zinc/12/75/49/388127549.db2.gz SHZDHTFPZAXIAA-UHFFFAOYSA-N 1 0 238.350 3.623 20 0 BHADRO CCCC[N@H+](CC)Cc1ccnn1C1CCCC1 ZINC000449003789 388127361 /nfs/dbraw/zinc/12/73/61/388127361.db2.gz STDPRSOOHQMHHC-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2cccs2)cs1 ZINC000449004253 388126623 /nfs/dbraw/zinc/12/66/23/388126623.db2.gz WSSTXMGSWZKZRZ-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449009150 517649426 /nfs/dbraw/zinc/64/94/26/517649426.db2.gz HJLNLMCJJUZONY-JTQLQIEISA-N 1 0 239.309 3.553 20 0 BHADRO CC[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449009351 388128093 /nfs/dbraw/zinc/12/80/93/388128093.db2.gz HJLNLMCJJUZONY-SNVBAGLBSA-N 1 0 239.309 3.553 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc2ccoc21 ZINC000449009429 388128141 /nfs/dbraw/zinc/12/81/41/388128141.db2.gz IFHSRIPXZXPPHQ-UHFFFAOYSA-N 1 0 217.312 3.521 20 0 BHADRO CC[N@H+](Cc1cccc2ccoc21)C(C)C ZINC000449010784 388128487 /nfs/dbraw/zinc/12/84/87/388128487.db2.gz UXAFHJILSHTACZ-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO Cc1cc(C[N@@H+]2CCc3sccc3C2)cs1 ZINC000449010824 388128103 /nfs/dbraw/zinc/12/81/03/388128103.db2.gz VIXYYXAHHRZERI-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO CC[N@H+](Cc1cc2cccnc2o1)C1CCCC1 ZINC000449011743 385297811 /nfs/dbraw/zinc/29/78/11/385297811.db2.gz UGRFFDDDAULACL-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CCCC[N@H+](Cc1cc2cccnc2o1)C1CC1 ZINC000449012228 388129079 /nfs/dbraw/zinc/12/90/79/388129079.db2.gz ZVIMSIMTYNNNHX-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)cs1 ZINC000449012229 388129042 /nfs/dbraw/zinc/12/90/42/388129042.db2.gz ZVKNAEDTVVSHMN-LLVKDONJSA-N 1 0 211.374 3.533 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)cs1 ZINC000449012230 388128944 /nfs/dbraw/zinc/12/89/44/388128944.db2.gz ZVKNAEDTVVSHMN-NSHDSACASA-N 1 0 211.374 3.533 20 0 BHADRO CCCCC[N@H+](Cc1ccncc1F)C(C)C ZINC000449012645 388129071 /nfs/dbraw/zinc/12/90/71/388129071.db2.gz FSPZUDVGESAGBK-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO CC(C)C[N@H+](Cc1cc2cccnc2o1)C(C)C ZINC000449012732 388128367 /nfs/dbraw/zinc/12/83/67/388128367.db2.gz GKTSXRXHQKPPJU-UHFFFAOYSA-N 1 0 246.354 3.694 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cccc2ccoc21 ZINC000449013345 388129640 /nfs/dbraw/zinc/12/96/40/388129640.db2.gz KVAKVSOJFGVCPM-LLVKDONJSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc2ccoc21 ZINC000449013425 388129512 /nfs/dbraw/zinc/12/95/12/388129512.db2.gz KVAKVSOJFGVCPM-NSHDSACASA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)[N@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449013851 388129947 /nfs/dbraw/zinc/12/99/47/388129947.db2.gz MQKQBECOOIWEBW-UHFFFAOYSA-N 1 0 229.323 3.806 20 0 BHADRO Cc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cs1 ZINC000449014568 388129783 /nfs/dbraw/zinc/12/97/83/388129783.db2.gz QBAKMVJSMXQLIB-LLVKDONJSA-N 1 0 235.396 3.819 20 0 BHADRO Cc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cs1 ZINC000449014569 388129908 /nfs/dbraw/zinc/12/99/08/388129908.db2.gz QBAKMVJSMXQLIB-NSHDSACASA-N 1 0 235.396 3.819 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449015977 388130316 /nfs/dbraw/zinc/13/03/16/388130316.db2.gz USIKPNPPSCQPNK-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449015978 388130017 /nfs/dbraw/zinc/13/00/17/388130017.db2.gz USIKPNPPSCQPNK-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[N@@H+](Cc1cc2cccnc2o1)CC(C)C ZINC000449015989 388129546 /nfs/dbraw/zinc/12/95/46/388129546.db2.gz UYDZMJDJXCAZHN-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc2ccoc21 ZINC000449016026 388129778 /nfs/dbraw/zinc/12/97/78/388129778.db2.gz VEYJJESSIBGNPO-LLVKDONJSA-N 1 0 217.312 3.663 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc2ccoc21 ZINC000449016027 388129590 /nfs/dbraw/zinc/12/95/90/388129590.db2.gz VEYJJESSIBGNPO-NSHDSACASA-N 1 0 217.312 3.663 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C2CC2)C2CC2)cs1 ZINC000449017185 388130499 /nfs/dbraw/zinc/13/04/99/388130499.db2.gz JOFHKNSNEBHCFP-UHFFFAOYSA-N 1 0 235.396 3.677 20 0 BHADRO CCCN(Cc1csc(C)c1)CC(F)F ZINC000449018682 388131026 /nfs/dbraw/zinc/13/10/26/388131026.db2.gz OURQZNAXZTVTTL-UHFFFAOYSA-N 1 0 233.327 3.534 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)(C)C)cs1 ZINC000449019688 491078930 /nfs/dbraw/zinc/07/89/30/491078930.db2.gz WTOFYTWBWJRCOJ-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CC[N@H+](Cc1cc2cccnc2o1)[C@H](C)C(C)C ZINC000449019934 491078924 /nfs/dbraw/zinc/07/89/24/491078924.db2.gz OINGQQXCYXFRGI-GFCCVEGCSA-N 1 0 246.354 3.694 20 0 BHADRO CC[N@H+](Cc1cc2cccnc2o1)[C@@H](C)C(C)C ZINC000449019935 491078922 /nfs/dbraw/zinc/07/89/22/491078922.db2.gz OINGQQXCYXFRGI-LBPRGKRZSA-N 1 0 246.354 3.694 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccoc2C)cs1 ZINC000449022771 397950530 /nfs/dbraw/zinc/95/05/30/397950530.db2.gz ZVRYYEDEAOJHAE-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449025009 388132157 /nfs/dbraw/zinc/13/21/57/388132157.db2.gz FURYOFKOKOLWIJ-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CC[N@H+](Cc1cccc2ccoc21)C1CCC1 ZINC000449025083 388132115 /nfs/dbraw/zinc/13/21/15/388132115.db2.gz AKNBWYHVRMIZRC-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000449027219 201792563 /nfs/dbraw/zinc/79/25/63/201792563.db2.gz LDDZUDWATNOHOR-GHMZBOCLSA-N 1 0 239.309 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449027220 388131594 /nfs/dbraw/zinc/13/15/94/388131594.db2.gz LDDZUDWATNOHOR-MNOVXSKESA-N 1 0 239.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449027222 388132178 /nfs/dbraw/zinc/13/21/78/388132178.db2.gz LDDZUDWATNOHOR-QWRGUYRKSA-N 1 0 239.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000449027223 388131967 /nfs/dbraw/zinc/13/19/67/388131967.db2.gz LDDZUDWATNOHOR-WDEREUQCSA-N 1 0 239.309 3.553 20 0 BHADRO CC1=CC[N@H+](Cc2cccc3ccoc32)CC1 ZINC000449027349 388132012 /nfs/dbraw/zinc/13/20/12/388132012.db2.gz INMVUMLQMIFLLH-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO Fc1cnccc1C[N@@H+]1CCCC12CCCCC2 ZINC000449027872 388132150 /nfs/dbraw/zinc/13/21/50/388132150.db2.gz JQLPMCWRUAFGIN-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCC2)cs1 ZINC000449028404 388133333 /nfs/dbraw/zinc/13/33/33/388133333.db2.gz LPBSTJDDALQBKA-UHFFFAOYSA-N 1 0 223.385 3.819 20 0 BHADRO C[C@@H](C[N@H+](C)C1CCC1)c1cc(F)cc(F)c1 ZINC000449028730 385429577 /nfs/dbraw/zinc/42/95/77/385429577.db2.gz MOAIJVBWRHLLQV-JTQLQIEISA-N 1 0 239.309 3.553 20 0 BHADRO C[C@H](C[N@H+](C)C1CCC1)c1cc(F)cc(F)c1 ZINC000449028731 385429100 /nfs/dbraw/zinc/42/91/00/385429100.db2.gz MOAIJVBWRHLLQV-SNVBAGLBSA-N 1 0 239.309 3.553 20 0 BHADRO CC(C)[N@H+](Cc1cc2cccnc2o1)C1CCC1 ZINC000449028926 388132810 /nfs/dbraw/zinc/13/28/10/388132810.db2.gz NAIUAULQVQPZPV-UHFFFAOYSA-N 1 0 244.338 3.591 20 0 BHADRO CSCC[C@H](C)[N@H+](C)Cc1csc(C)c1 ZINC000449029819 388132366 /nfs/dbraw/zinc/13/23/66/388132366.db2.gz PTQIFUSBRIOZHL-JTQLQIEISA-N 1 0 243.441 3.630 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)Cc1csc(C)c1 ZINC000449029820 388133021 /nfs/dbraw/zinc/13/30/21/388133021.db2.gz PTQIFUSBRIOZHL-SNVBAGLBSA-N 1 0 243.441 3.630 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1csc(C)c1 ZINC000449031583 388132964 /nfs/dbraw/zinc/13/29/64/388132964.db2.gz WTLHCKYTGUIWRO-UHFFFAOYSA-N 1 0 211.374 3.677 20 0 BHADRO c1cc2cccc(C[N@@H+]3CCC34CCC4)c2o1 ZINC000449031987 388133511 /nfs/dbraw/zinc/13/35/11/388133511.db2.gz WGCRDIXQRGXSGD-UHFFFAOYSA-N 1 0 227.307 3.561 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000449033520 385438002 /nfs/dbraw/zinc/43/80/02/385438002.db2.gz DNUDMRWFUKOXGH-GFCCVEGCSA-N 1 0 244.338 3.592 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000449033521 385437712 /nfs/dbraw/zinc/43/77/12/385437712.db2.gz DNUDMRWFUKOXGH-LBPRGKRZSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1cc(C[N@@H+]2CCc3ccsc3C2)cs1 ZINC000449035244 388134425 /nfs/dbraw/zinc/13/44/25/388134425.db2.gz NFYCCYQMUZKLFA-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cc2cccnc2o1 ZINC000449038950 388134446 /nfs/dbraw/zinc/13/44/46/388134446.db2.gz XUZMHAGQGSUZCN-GFCCVEGCSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cc2cccnc2o1 ZINC000449038951 388134342 /nfs/dbraw/zinc/13/43/42/388134342.db2.gz XUZMHAGQGSUZCN-LBPRGKRZSA-N 1 0 246.354 3.696 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)cs1 ZINC000449048851 487569084 /nfs/dbraw/zinc/56/90/84/487569084.db2.gz QHXCITJYGPUUFG-LLVKDONJSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cs1 ZINC000449048852 487569519 /nfs/dbraw/zinc/56/95/19/487569519.db2.gz QHXCITJYGPUUFG-NSHDSACASA-N 1 0 223.385 3.677 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000449059755 388136946 /nfs/dbraw/zinc/13/69/46/388136946.db2.gz BOLQRPXZDBXRCP-GDBMZVCRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000449059756 388137059 /nfs/dbraw/zinc/13/70/59/388137059.db2.gz BOLQRPXZDBXRCP-GOEBONIOSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@H]1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000449059757 388136805 /nfs/dbraw/zinc/13/68/05/388136805.db2.gz BOLQRPXZDBXRCP-HOCLYGCPSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000449059758 201799984 /nfs/dbraw/zinc/79/99/84/201799984.db2.gz BOLQRPXZDBXRCP-ZBFHGGJFSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1cccc2ccoc21 ZINC000449060332 201799696 /nfs/dbraw/zinc/79/96/96/201799696.db2.gz CYNTXMOQOJTGDP-LLVKDONJSA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1cccc2ccoc21 ZINC000449060333 388137167 /nfs/dbraw/zinc/13/71/67/388137167.db2.gz CYNTXMOQOJTGDP-NSHDSACASA-N 1 0 217.312 3.567 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449060648 388137829 /nfs/dbraw/zinc/13/78/29/388137829.db2.gz DLKNMFXEIABOGW-GFCCVEGCSA-N 1 0 246.354 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449060649 388137455 /nfs/dbraw/zinc/13/74/55/388137455.db2.gz DLKNMFXEIABOGW-LBPRGKRZSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H]([NH2+]CCCNc1ccccc1)C1CCC1 ZINC000449060781 385491148 /nfs/dbraw/zinc/49/11/48/385491148.db2.gz UBGTUJMVKHKZAX-INIZCTEOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]([NH2+]CCCNc1ccccc1)C1CCC1 ZINC000449060782 385490808 /nfs/dbraw/zinc/49/08/08/385490808.db2.gz UBGTUJMVKHKZAX-MRXNPFEDSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449060867 388137545 /nfs/dbraw/zinc/13/75/45/388137545.db2.gz DYIXAPZGTZNPBY-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO COCC1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000449062405 388137484 /nfs/dbraw/zinc/13/74/84/388137484.db2.gz JGCNPPAHCXMAQS-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COCC1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC000449062406 388137183 /nfs/dbraw/zinc/13/71/83/388137183.db2.gz JGCNPPAHCXMAQS-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO CC1([NH2+]Cc2cc3cccnc3o2)CCCCC1 ZINC000449062508 388137683 /nfs/dbraw/zinc/13/76/83/388137683.db2.gz LVZGZLJHYYAIIF-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)C1CC1 ZINC000449062791 201800356 /nfs/dbraw/zinc/80/03/56/201800356.db2.gz MVMSZBCMAQJLFL-NEPJUHHUSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1coc2ccccc12)C1CC1 ZINC000449062792 201799329 /nfs/dbraw/zinc/79/93/29/201799329.db2.gz MVMSZBCMAQJLFL-NWDGAFQWSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H](C)C1CC1 ZINC000449062793 385491949 /nfs/dbraw/zinc/49/19/49/385491949.db2.gz MVMSZBCMAQJLFL-RYUDHWBXSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)C1CC1 ZINC000449062794 385492047 /nfs/dbraw/zinc/49/20/47/385492047.db2.gz MVMSZBCMAQJLFL-VXGBXAGGSA-N 1 0 243.350 3.752 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449062920 388137574 /nfs/dbraw/zinc/13/75/74/388137574.db2.gz KYKISEYCELXIMV-GFCCVEGCSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449062921 201800350 /nfs/dbraw/zinc/80/03/50/201800350.db2.gz KYKISEYCELXIMV-LBPRGKRZSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449062943 201800035 /nfs/dbraw/zinc/80/00/35/201800035.db2.gz LAGKWYWWTMCJAA-NEPJUHHUSA-N 1 0 231.339 3.752 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449062945 201799973 /nfs/dbraw/zinc/79/99/73/201799973.db2.gz LAGKWYWWTMCJAA-NWDGAFQWSA-N 1 0 231.339 3.752 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449062947 388137367 /nfs/dbraw/zinc/13/73/67/388137367.db2.gz LAGKWYWWTMCJAA-RYUDHWBXSA-N 1 0 231.339 3.752 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449062948 388137603 /nfs/dbraw/zinc/13/76/03/388137603.db2.gz LAGKWYWWTMCJAA-VXGBXAGGSA-N 1 0 231.339 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C1CCCC1 ZINC000449063177 388137174 /nfs/dbraw/zinc/13/71/74/388137174.db2.gz LOBOKXNNKCZARR-GFCCVEGCSA-N 1 0 243.350 3.896 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCCC1 ZINC000449063178 201799685 /nfs/dbraw/zinc/79/96/85/201799685.db2.gz LOBOKXNNKCZARR-LBPRGKRZSA-N 1 0 243.350 3.896 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc2ccoc21 ZINC000449063400 201799535 /nfs/dbraw/zinc/79/95/35/201799535.db2.gz MLUPHSOVDCMEPL-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CC[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449064821 388138553 /nfs/dbraw/zinc/13/85/53/388138553.db2.gz RAKAZPURBKBRBL-DNOWBOINSA-N 1 0 239.403 3.645 20 0 BHADRO CC[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449064822 388138265 /nfs/dbraw/zinc/13/82/65/388138265.db2.gz RAKAZPURBKBRBL-OPFPJEHXSA-N 1 0 239.403 3.645 20 0 BHADRO CC(C)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449065015 388138560 /nfs/dbraw/zinc/13/85/60/388138560.db2.gz ROKGCQLTAGSKMB-GFCCVEGCSA-N 1 0 231.339 3.609 20 0 BHADRO CC(C)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449065016 201801370 /nfs/dbraw/zinc/80/13/70/201801370.db2.gz ROKGCQLTAGSKMB-LBPRGKRZSA-N 1 0 231.339 3.609 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449065023 388138226 /nfs/dbraw/zinc/13/82/26/388138226.db2.gz RRGODUHKNSWQIQ-GFCCVEGCSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449065024 388138501 /nfs/dbraw/zinc/13/85/01/388138501.db2.gz RRGODUHKNSWQIQ-LBPRGKRZSA-N 1 0 243.350 3.737 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccncc1F ZINC000449065327 398273209 /nfs/dbraw/zinc/27/32/09/398273209.db2.gz YWVGDNHPXHZLDP-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1ccncc1F ZINC000449065328 398273245 /nfs/dbraw/zinc/27/32/45/398273245.db2.gz YWVGDNHPXHZLDP-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](C[NH2+]C1CCCC1)c1cc(F)cc(F)c1 ZINC000449065885 201801348 /nfs/dbraw/zinc/80/13/48/201801348.db2.gz XERWWACMEXQQIQ-JTQLQIEISA-N 1 0 239.309 3.601 20 0 BHADRO C[C@H](C[NH2+]C1CCCC1)c1cc(F)cc(F)c1 ZINC000449065886 388138276 /nfs/dbraw/zinc/13/82/76/388138276.db2.gz XERWWACMEXQQIQ-SNVBAGLBSA-N 1 0 239.309 3.601 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccncc1F ZINC000449065982 398273063 /nfs/dbraw/zinc/27/30/63/398273063.db2.gz XZFYHXGFLFUIDF-GFCCVEGCSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccncc1F ZINC000449065983 398273404 /nfs/dbraw/zinc/27/34/04/398273404.db2.gz XZFYHXGFLFUIDF-LBPRGKRZSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449066336 201802039 /nfs/dbraw/zinc/80/20/39/201802039.db2.gz BNCADGISUUBXFL-UHFFFAOYSA-N 1 0 239.403 3.647 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1OC ZINC000449066436 388138573 /nfs/dbraw/zinc/13/85/73/388138573.db2.gz ZZCLCGLCEANECL-GFCCVEGCSA-N 1 0 243.350 3.737 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2ccccc2cc1OC ZINC000449066437 201801729 /nfs/dbraw/zinc/80/17/29/201801729.db2.gz ZZCLCGLCEANECL-LBPRGKRZSA-N 1 0 243.350 3.737 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CCC1=CCCCC1 ZINC000449066632 388138279 /nfs/dbraw/zinc/13/82/79/388138279.db2.gz DLLAOKXQJKFLAN-CYBMUJFWSA-N 1 0 233.355 3.691 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CCC1=CCCCC1 ZINC000449066633 388138071 /nfs/dbraw/zinc/13/80/71/388138071.db2.gz DLLAOKXQJKFLAN-ZDUSSCGKSA-N 1 0 233.355 3.691 20 0 BHADRO Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000449067461 388137903 /nfs/dbraw/zinc/13/79/03/388137903.db2.gz LOHBLGBPSSQWPL-BXUZGUMPSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1ccc([C@H]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000449067462 385502391 /nfs/dbraw/zinc/50/23/91/385502391.db2.gz LOHBLGBPSSQWPL-FZMZJTMJSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000449067463 385502080 /nfs/dbraw/zinc/50/20/80/385502080.db2.gz LOHBLGBPSSQWPL-RISCZKNCSA-N 1 0 235.758 3.728 20 0 BHADRO Clc1ccc([C@H]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000449067464 200720378 /nfs/dbraw/zinc/72/03/78/200720378.db2.gz LOHBLGBPSSQWPL-SMDDNHRTSA-N 1 0 235.758 3.728 20 0 BHADRO c1c2cccnc2oc1C[NH2+]C1CCCCCC1 ZINC000449067729 201802412 /nfs/dbraw/zinc/80/24/12/201802412.db2.gz NVQZLOPPHNZSLF-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CC(C)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449070049 388139009 /nfs/dbraw/zinc/13/90/09/388139009.db2.gz ISLXILBHMBJQET-GXTWGEPZSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449070050 388138653 /nfs/dbraw/zinc/13/86/53/388138653.db2.gz ISLXILBHMBJQET-JSGCOSHPSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449070051 388138880 /nfs/dbraw/zinc/13/88/80/388138880.db2.gz ISLXILBHMBJQET-OCCSQVGLSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449070052 388139198 /nfs/dbraw/zinc/13/91/98/388139198.db2.gz ISLXILBHMBJQET-TZMCWYRMSA-N 1 0 237.774 3.974 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccncc1F ZINC000449070349 388139146 /nfs/dbraw/zinc/13/91/46/388139146.db2.gz CDKOUAIEWCTIFQ-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449071820 388138686 /nfs/dbraw/zinc/13/86/86/388138686.db2.gz OTQJZCQMIOVPJY-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@H]1C ZINC000449074043 388139696 /nfs/dbraw/zinc/13/96/96/388139696.db2.gz BEEKAVHEZWQELK-JHJVBQTASA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1C[C@H]1C ZINC000449074046 388139947 /nfs/dbraw/zinc/13/99/47/388139947.db2.gz BEEKAVHEZWQELK-UPJWGTAASA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1C[C@@H]1C ZINC000449074048 388139964 /nfs/dbraw/zinc/13/99/64/388139964.db2.gz BEEKAVHEZWQELK-XQQFMLRXSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@@H]1C ZINC000449074051 388140041 /nfs/dbraw/zinc/14/00/41/388140041.db2.gz BEEKAVHEZWQELK-YNEHKIRRSA-N 1 0 243.350 3.609 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449075108 388140033 /nfs/dbraw/zinc/14/00/33/388140033.db2.gz VHRKWHQGAJTGPJ-BPLDGKMQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449075109 388139841 /nfs/dbraw/zinc/13/98/41/388139841.db2.gz VHRKWHQGAJTGPJ-CFVMTHIKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449075110 388139804 /nfs/dbraw/zinc/13/98/04/388139804.db2.gz VHRKWHQGAJTGPJ-NWANDNLSSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449075111 201803765 /nfs/dbraw/zinc/80/37/65/201803765.db2.gz VHRKWHQGAJTGPJ-YUELXQCFSA-N 1 0 246.398 3.694 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449075871 398275090 /nfs/dbraw/zinc/27/50/90/398275090.db2.gz WKQPUJUDJQOVKX-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449079082 201804180 /nfs/dbraw/zinc/80/41/80/201804180.db2.gz ZLPYIWXGOYVNSU-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO COCCCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000449081749 201805842 /nfs/dbraw/zinc/80/58/42/201805842.db2.gz HQISNRWYEYFSED-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000449081750 388140524 /nfs/dbraw/zinc/14/05/24/388140524.db2.gz HQISNRWYEYFSED-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000449081751 388140605 /nfs/dbraw/zinc/14/06/05/388140605.db2.gz HQISNRWYEYFSED-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000449081752 388140423 /nfs/dbraw/zinc/14/04/23/388140423.db2.gz HQISNRWYEYFSED-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449090983 388141249 /nfs/dbraw/zinc/14/12/49/388141249.db2.gz OVSLTPQWXYCAMX-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449090984 201805821 /nfs/dbraw/zinc/80/58/21/201805821.db2.gz OVSLTPQWXYCAMX-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449090985 201806140 /nfs/dbraw/zinc/80/61/40/201806140.db2.gz OVSLTPQWXYCAMX-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449090986 388141501 /nfs/dbraw/zinc/14/15/01/388141501.db2.gz OVSLTPQWXYCAMX-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000449091643 201806744 /nfs/dbraw/zinc/80/67/44/201806744.db2.gz QSDFUABGCJWWNW-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)cn1 ZINC000449091644 388140997 /nfs/dbraw/zinc/14/09/97/388140997.db2.gz QSDFUABGCJWWNW-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)cn1 ZINC000449091645 388141356 /nfs/dbraw/zinc/14/13/56/388141356.db2.gz QSDFUABGCJWWNW-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)cn1 ZINC000449091646 388141108 /nfs/dbraw/zinc/14/11/08/388141108.db2.gz QSDFUABGCJWWNW-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449095633 384735955 /nfs/dbraw/zinc/73/59/55/384735955.db2.gz ABDHYFWFCMSPAF-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449095634 384735714 /nfs/dbraw/zinc/73/57/14/384735714.db2.gz ABDHYFWFCMSPAF-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449095635 384735897 /nfs/dbraw/zinc/73/58/97/384735897.db2.gz ABDHYFWFCMSPAF-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449095636 200656542 /nfs/dbraw/zinc/65/65/42/200656542.db2.gz ABDHYFWFCMSPAF-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)(C)C[NH2+]Cc1cccc2ccoc21 ZINC000449097049 388141883 /nfs/dbraw/zinc/14/18/83/388141883.db2.gz KODAVMZIHYEGGG-UHFFFAOYSA-N 1 0 217.312 3.569 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnn1C1CCCC1)C(C)C ZINC000449097610 388142224 /nfs/dbraw/zinc/14/22/24/388142224.db2.gz MNRUQFPCRGTPDQ-HNNXBMFYSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnn1C1CCCC1)C(C)C ZINC000449097611 201808682 /nfs/dbraw/zinc/80/86/82/201808682.db2.gz MNRUQFPCRGTPDQ-OAHLLOKOSA-N 1 0 249.402 3.522 20 0 BHADRO c1cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2o1 ZINC000449101606 388142992 /nfs/dbraw/zinc/14/29/92/388142992.db2.gz FXHQGXJDUCXYHR-UHFFFAOYSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]CC1CCC1 ZINC000449102889 388143149 /nfs/dbraw/zinc/14/31/49/388143149.db2.gz MMGZLWWQKMFBGT-GFCCVEGCSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CCC1 ZINC000449102890 388142604 /nfs/dbraw/zinc/14/26/04/388142604.db2.gz MMGZLWWQKMFBGT-LBPRGKRZSA-N 1 0 243.350 3.754 20 0 BHADRO CC[C@H]([NH2+]CCCOC1CCCC1)C1CCC1 ZINC000449103989 388142781 /nfs/dbraw/zinc/14/27/81/388142781.db2.gz DBDRCEHPTXSJNJ-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCCOC1CCCC1)C1CCC1 ZINC000449103990 388143144 /nfs/dbraw/zinc/14/31/44/388143144.db2.gz DBDRCEHPTXSJNJ-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO COCCCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449105509 201809874 /nfs/dbraw/zinc/80/98/74/201809874.db2.gz INCWBFKUUMLJIX-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449105510 388142615 /nfs/dbraw/zinc/14/26/15/388142615.db2.gz INCWBFKUUMLJIX-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449105511 388143037 /nfs/dbraw/zinc/14/30/37/388143037.db2.gz INCWBFKUUMLJIX-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449105512 201810052 /nfs/dbraw/zinc/81/00/52/201810052.db2.gz INCWBFKUUMLJIX-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc2ccoc21 ZINC000449109140 388144178 /nfs/dbraw/zinc/14/41/78/388144178.db2.gz VFYLIDGJENHMOO-UHFFFAOYSA-N 1 0 217.312 3.711 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)C1CCCC1 ZINC000449112304 388144435 /nfs/dbraw/zinc/14/44/35/388144435.db2.gz QNHVMOPCFRVXSW-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)C1CCCC1 ZINC000449112305 388144371 /nfs/dbraw/zinc/14/43/71/388144371.db2.gz QNHVMOPCFRVXSW-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)C1CCCC1 ZINC000449112306 388144927 /nfs/dbraw/zinc/14/49/27/388144927.db2.gz QNHVMOPCFRVXSW-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)C1CCCC1 ZINC000449112307 388144484 /nfs/dbraw/zinc/14/44/84/388144484.db2.gz QNHVMOPCFRVXSW-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C1CCC1 ZINC000449119849 388145243 /nfs/dbraw/zinc/14/52/43/388145243.db2.gz BGVRHECMXSQYIQ-LLVKDONJSA-N 1 0 229.323 3.506 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCC1 ZINC000449119850 201814525 /nfs/dbraw/zinc/81/45/25/201814525.db2.gz BGVRHECMXSQYIQ-NSHDSACASA-N 1 0 229.323 3.506 20 0 BHADRO Cc1cnc(C[NH2+]C2(C)CCC(C)CC2)s1 ZINC000449120230 201814332 /nfs/dbraw/zinc/81/43/32/201814332.db2.gz CJMSXRJWAXHJGA-UHFFFAOYSA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccncc1F ZINC000449124769 398276701 /nfs/dbraw/zinc/27/67/01/398276701.db2.gz HFNZWIYDBRDUNW-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO Cc1cnc(C[NH2+]CCCCC(C)(C)C)s1 ZINC000449126217 388145964 /nfs/dbraw/zinc/14/59/64/388145964.db2.gz LNVQFRVPCKXJED-UHFFFAOYSA-N 1 0 240.416 3.758 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449126410 388146279 /nfs/dbraw/zinc/14/62/79/388146279.db2.gz VDWTVEZEULLHNO-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000449127215 388146487 /nfs/dbraw/zinc/14/64/87/388146487.db2.gz OLKWDFSWLUHOQR-CYBMUJFWSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000449127216 388146316 /nfs/dbraw/zinc/14/63/16/388146316.db2.gz OLKWDFSWLUHOQR-ZDUSSCGKSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)(C)C ZINC000449127237 388145989 /nfs/dbraw/zinc/14/59/89/388145989.db2.gz OPOAUZFHTQBUEF-AAEUAGOBSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccoc1)C(C)(C)C ZINC000449127238 388145931 /nfs/dbraw/zinc/14/59/31/388145931.db2.gz OPOAUZFHTQBUEF-DGCLKSJQSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)(C)C ZINC000449127239 388146263 /nfs/dbraw/zinc/14/62/63/388146263.db2.gz OPOAUZFHTQBUEF-WCQYABFASA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccoc1)C(C)(C)C ZINC000449127240 388146128 /nfs/dbraw/zinc/14/61/28/388146128.db2.gz OPOAUZFHTQBUEF-YPMHNXCESA-N 1 0 223.360 3.625 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449132977 388146762 /nfs/dbraw/zinc/14/67/62/388146762.db2.gz WQSCIDKKYYSMGA-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449132978 201817696 /nfs/dbraw/zinc/81/76/96/201817696.db2.gz WQSCIDKKYYSMGA-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H](Cc1cccc(O)c1)[NH2+][C@H](C)CC(C)(C)C ZINC000449133701 201816418 /nfs/dbraw/zinc/81/64/18/201816418.db2.gz ZNOKZMPWFDJBJL-CHWSQXEVSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449133703 388146605 /nfs/dbraw/zinc/14/66/05/388146605.db2.gz ZNOKZMPWFDJBJL-OLZOCXBDSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000449133705 385210824 /nfs/dbraw/zinc/21/08/24/385210824.db2.gz ZNOKZMPWFDJBJL-QWHCGFSZSA-N 1 0 249.398 3.738 20 0 BHADRO C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449133709 385211291 /nfs/dbraw/zinc/21/12/91/385211291.db2.gz ZNOKZMPWFDJBJL-STQMWFEESA-N 1 0 249.398 3.738 20 0 BHADRO C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCCC[C@H]1C ZINC000449134346 388146818 /nfs/dbraw/zinc/14/68/18/388146818.db2.gz IOMJLHWCYDSMHR-BZPMIXESSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@H]1CCCC[C@H]1C ZINC000449134347 388146701 /nfs/dbraw/zinc/14/67/01/388146701.db2.gz IOMJLHWCYDSMHR-DYEKYZERSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCCC[C@H]1C ZINC000449134348 388147202 /nfs/dbraw/zinc/14/72/02/388147202.db2.gz IOMJLHWCYDSMHR-MBNYWOFBSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCCC[C@H]1C ZINC000449134349 388147036 /nfs/dbraw/zinc/14/70/36/388147036.db2.gz IOMJLHWCYDSMHR-YRGRVCCFSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449142330 201818706 /nfs/dbraw/zinc/81/87/06/201818706.db2.gz NMUYSNRORKZFMK-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCCc1ccc(O)cc1 ZINC000449144889 201818305 /nfs/dbraw/zinc/81/83/05/201818305.db2.gz VERLYOPYDWWVRG-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCCc1ccc(O)cc1 ZINC000449144890 388148315 /nfs/dbraw/zinc/14/83/15/388148315.db2.gz VERLYOPYDWWVRG-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000449148925 201820715 /nfs/dbraw/zinc/82/07/15/201820715.db2.gz LRIAAUHGWNWBAA-DMRZNYOFSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000449148926 388148884 /nfs/dbraw/zinc/14/88/84/388148884.db2.gz LRIAAUHGWNWBAA-DTZQCDIJSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000449148927 388149137 /nfs/dbraw/zinc/14/91/37/388149137.db2.gz LRIAAUHGWNWBAA-SLBVQIDZSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000449148928 388149304 /nfs/dbraw/zinc/14/93/04/388149304.db2.gz LRIAAUHGWNWBAA-SYAUCNOPSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cccc2ccoc21 ZINC000449150596 388149048 /nfs/dbraw/zinc/14/90/48/388149048.db2.gz RUPCMJPEXOZXAG-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cccc2ccoc21 ZINC000449150597 201821458 /nfs/dbraw/zinc/82/14/58/201821458.db2.gz RUPCMJPEXOZXAG-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cc2cccnc2o1 ZINC000449155379 388149905 /nfs/dbraw/zinc/14/99/05/388149905.db2.gz PLXBEZGTIOVLJM-UHFFFAOYSA-N 1 0 246.354 3.886 20 0 BHADRO CSCCCC[NH2+]Cc1cccc2ccoc21 ZINC000449157199 384043813 /nfs/dbraw/zinc/04/38/13/384043813.db2.gz GFTQHUASCAABKI-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000449160622 384071188 /nfs/dbraw/zinc/07/11/88/384071188.db2.gz CCLYRXOVZHQZEE-GXTWGEPZSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000449160623 205474060 /nfs/dbraw/zinc/47/40/60/205474060.db2.gz CCLYRXOVZHQZEE-JSGCOSHPSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)c1ccncc1 ZINC000449160624 205473225 /nfs/dbraw/zinc/47/32/25/205473225.db2.gz CCLYRXOVZHQZEE-OCCSQVGLSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)c1ccncc1 ZINC000449160625 384071194 /nfs/dbraw/zinc/07/11/94/384071194.db2.gz CCLYRXOVZHQZEE-TZMCWYRMSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H](CCO)c1ccccc1 ZINC000449160666 388150312 /nfs/dbraw/zinc/15/03/12/388150312.db2.gz MJZBAEBAZAYDHA-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](CCO)c1ccccc1 ZINC000449160667 388150554 /nfs/dbraw/zinc/15/05/54/388150554.db2.gz MJZBAEBAZAYDHA-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccncc1F ZINC000449161415 398280398 /nfs/dbraw/zinc/28/03/98/398280398.db2.gz OWJVFHSCMWYJPO-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccncc1F ZINC000449161416 398280351 /nfs/dbraw/zinc/28/03/51/398280351.db2.gz OWJVFHSCMWYJPO-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H]([NH2+]Cc1csc(C)c1)c1ccncc1 ZINC000449163070 388151349 /nfs/dbraw/zinc/15/13/49/388151349.db2.gz LEVWLYYSLSZREO-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1csc(C)c1)c1ccncc1 ZINC000449163072 388150830 /nfs/dbraw/zinc/15/08/30/388150830.db2.gz LEVWLYYSLSZREO-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO c1cc2cccc(C[NH2+][C@H]3CC=CCC3)c2o1 ZINC000449163404 388151143 /nfs/dbraw/zinc/15/11/43/388151143.db2.gz VYBUBPKWXBBOFB-AWEZNQCLSA-N 1 0 227.307 3.631 20 0 BHADRO c1cc2cccc(C[NH2+][C@@H]3CC=CCC3)c2o1 ZINC000449163405 388150890 /nfs/dbraw/zinc/15/08/90/388150890.db2.gz VYBUBPKWXBBOFB-CQSZACIVSA-N 1 0 227.307 3.631 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449169765 201825804 /nfs/dbraw/zinc/82/58/04/201825804.db2.gz DTFYYLPTVACNJX-DNDYEEKYSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449169766 388151942 /nfs/dbraw/zinc/15/19/42/388151942.db2.gz DTFYYLPTVACNJX-HESLUPGFSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449169767 388151553 /nfs/dbraw/zinc/15/15/53/388151553.db2.gz DTFYYLPTVACNJX-LMRVLLHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449169768 201826177 /nfs/dbraw/zinc/82/61/77/201826177.db2.gz DTFYYLPTVACNJX-ZUJMUWTESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]CCC1CC1 ZINC000449170992 398143326 /nfs/dbraw/zinc/14/33/26/398143326.db2.gz JWTWFQMZYIAWTC-GFCCVEGCSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCC1CC1 ZINC000449170993 398281222 /nfs/dbraw/zinc/28/12/22/398281222.db2.gz JWTWFQMZYIAWTC-LBPRGKRZSA-N 1 0 243.350 3.754 20 0 BHADRO CCC(CC)(CCO)C[NH2+][C@H](C)CC(C)(C)C ZINC000449171617 388152825 /nfs/dbraw/zinc/15/28/25/388152825.db2.gz IFCFPVLLKAQNNE-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCC(CC)(CCO)C[NH2+][C@@H](C)CC(C)(C)C ZINC000449171618 388152309 /nfs/dbraw/zinc/15/23/09/388152309.db2.gz IFCFPVLLKAQNNE-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCC[C@H]1C ZINC000449171644 388152752 /nfs/dbraw/zinc/15/27/52/388152752.db2.gz IKBFCFXCJKPKKM-GMTAPVOTSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000449171645 201827164 /nfs/dbraw/zinc/82/71/64/201827164.db2.gz IKBFCFXCJKPKKM-MXWKQRLJSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCC[C@H]1C ZINC000449171646 388152514 /nfs/dbraw/zinc/15/25/14/388152514.db2.gz IKBFCFXCJKPKKM-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000449171647 388152840 /nfs/dbraw/zinc/15/28/40/388152840.db2.gz IKBFCFXCJKPKKM-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC(C)C1 ZINC000449172184 384150197 /nfs/dbraw/zinc/15/01/97/384150197.db2.gz CBHHMZJIAGHBGW-LXVYMNJGSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C1CC(C)C1 ZINC000449172185 384151564 /nfs/dbraw/zinc/15/15/64/384151564.db2.gz CBHHMZJIAGHBGW-MBHSVXNSSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]CC1(C)CC1 ZINC000449174412 384154746 /nfs/dbraw/zinc/15/47/46/384154746.db2.gz HKFDKWXSFISPAD-GFCCVEGCSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1(C)CC1 ZINC000449174413 384154285 /nfs/dbraw/zinc/15/42/85/384154285.db2.gz HKFDKWXSFISPAD-LBPRGKRZSA-N 1 0 243.350 3.754 20 0 BHADRO COC1CCC(C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449175307 388153433 /nfs/dbraw/zinc/15/34/33/388153433.db2.gz JNSKJBLWEKKQDO-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449175308 388153266 /nfs/dbraw/zinc/15/32/66/388153266.db2.gz JNSKJBLWEKKQDO-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449177689 201828009 /nfs/dbraw/zinc/82/80/09/201828009.db2.gz STJXCHDXZGUUGF-NEPJUHHUSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449177691 388153462 /nfs/dbraw/zinc/15/34/62/388153462.db2.gz STJXCHDXZGUUGF-NWDGAFQWSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449177693 388153282 /nfs/dbraw/zinc/15/32/82/388153282.db2.gz STJXCHDXZGUUGF-RYUDHWBXSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449177695 388153593 /nfs/dbraw/zinc/15/35/93/388153593.db2.gz STJXCHDXZGUUGF-VXGBXAGGSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449180104 388154081 /nfs/dbraw/zinc/15/40/81/388154081.db2.gz YEQXQILQXSGTNA-AVGNSLFASA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449180105 388153840 /nfs/dbraw/zinc/15/38/40/388153840.db2.gz YEQXQILQXSGTNA-RWMBFGLXSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449180106 388154338 /nfs/dbraw/zinc/15/43/38/388154338.db2.gz YEQXQILQXSGTNA-XQQFMLRXSA-N 1 0 223.360 3.625 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449180107 388153969 /nfs/dbraw/zinc/15/39/69/388153969.db2.gz YEQXQILQXSGTNA-YNEHKIRRSA-N 1 0 223.360 3.625 20 0 BHADRO COCCC1(C[NH2+][C@H](C)CC(C)(C)C)CCC1 ZINC000449180976 219829966 /nfs/dbraw/zinc/82/99/66/219829966.db2.gz DHIWXKPLXYOUOZ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC1(C[NH2+][C@@H](C)CC(C)(C)C)CCC1 ZINC000449180977 219829977 /nfs/dbraw/zinc/82/99/77/219829977.db2.gz DHIWXKPLXYOUOZ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)cs1 ZINC000449181741 388154206 /nfs/dbraw/zinc/15/42/06/388154206.db2.gz AUTIDCCRYQWYQQ-LLVKDONJSA-N 1 0 245.338 3.724 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)cs1 ZINC000449181742 388153919 /nfs/dbraw/zinc/15/39/19/388153919.db2.gz AUTIDCCRYQWYQQ-NSHDSACASA-N 1 0 245.338 3.724 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000449182048 201830945 /nfs/dbraw/zinc/83/09/45/201830945.db2.gz BNTRUOFEMRSENW-NEPJUHHUSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000449182049 388154165 /nfs/dbraw/zinc/15/41/65/388154165.db2.gz BNTRUOFEMRSENW-NWDGAFQWSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000449182050 388154203 /nfs/dbraw/zinc/15/42/03/388154203.db2.gz BNTRUOFEMRSENW-RYUDHWBXSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000449182051 388154217 /nfs/dbraw/zinc/15/42/17/388154217.db2.gz BNTRUOFEMRSENW-VXGBXAGGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1CCOCC1 ZINC000449184266 388153889 /nfs/dbraw/zinc/15/38/89/388153889.db2.gz MLGFTQPVLVHNKR-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1CCOCC1 ZINC000449184267 388154451 /nfs/dbraw/zinc/15/44/51/388154451.db2.gz MLGFTQPVLVHNKR-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1CCOCC1 ZINC000449184269 201831181 /nfs/dbraw/zinc/83/11/81/201831181.db2.gz MLGFTQPVLVHNKR-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1CCOCC1 ZINC000449184271 388154278 /nfs/dbraw/zinc/15/42/78/388154278.db2.gz MLGFTQPVLVHNKR-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449187679 388154724 /nfs/dbraw/zinc/15/47/24/388154724.db2.gz MRWRINULLJWIEF-NEPJUHHUSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449187680 388155182 /nfs/dbraw/zinc/15/51/82/388155182.db2.gz MRWRINULLJWIEF-NWDGAFQWSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449187683 201831496 /nfs/dbraw/zinc/83/14/96/201831496.db2.gz MRWRINULLJWIEF-RYUDHWBXSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)CC(C)(C)C ZINC000449187684 201830053 /nfs/dbraw/zinc/83/00/53/201830053.db2.gz MRWRINULLJWIEF-VXGBXAGGSA-N 1 0 223.360 3.625 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000449188154 388155080 /nfs/dbraw/zinc/15/50/80/388155080.db2.gz NNUZUFTYFHVHJZ-MROQNXINSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000449188160 201832339 /nfs/dbraw/zinc/83/23/39/201832339.db2.gz NNUZUFTYFHVHJZ-VOAKCMCISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000449188162 201833957 /nfs/dbraw/zinc/83/39/57/201833957.db2.gz NNUZUFTYFHVHJZ-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000449188164 201832866 /nfs/dbraw/zinc/83/28/66/201832866.db2.gz NNUZUFTYFHVHJZ-YVECIDJPSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000449190962 388155588 /nfs/dbraw/zinc/15/55/88/388155588.db2.gz RQXOQOOEQPZRSM-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000449190964 388155840 /nfs/dbraw/zinc/15/58/40/388155840.db2.gz RQXOQOOEQPZRSM-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000449190966 201833483 /nfs/dbraw/zinc/83/34/83/201833483.db2.gz RQXOQOOEQPZRSM-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000449190967 388155853 /nfs/dbraw/zinc/15/58/53/388155853.db2.gz RQXOQOOEQPZRSM-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@H](CC1CCOCC1)[NH2+][C@H](C)CC(C)(C)C ZINC000449191373 201832890 /nfs/dbraw/zinc/83/28/90/201832890.db2.gz XIWKPACPCDEWJB-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC1CCOCC1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449191374 201832128 /nfs/dbraw/zinc/83/21/28/201832128.db2.gz XIWKPACPCDEWJB-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000449191375 388155661 /nfs/dbraw/zinc/15/56/61/388155661.db2.gz XIWKPACPCDEWJB-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CC(C)(C)C ZINC000449191376 201832185 /nfs/dbraw/zinc/83/21/85/201832185.db2.gz XIWKPACPCDEWJB-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000449194812 384325608 /nfs/dbraw/zinc/32/56/08/384325608.db2.gz PJWGNVRATFOMQD-GFCCVEGCSA-N 1 0 247.382 3.631 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000449194813 384325373 /nfs/dbraw/zinc/32/53/73/384325373.db2.gz PJWGNVRATFOMQD-LBPRGKRZSA-N 1 0 247.382 3.631 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000449195183 388156087 /nfs/dbraw/zinc/15/60/87/388156087.db2.gz YXFJNVGTHGDPHY-NEPJUHHUSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449195184 201835742 /nfs/dbraw/zinc/83/57/42/201835742.db2.gz YXFJNVGTHGDPHY-NWDGAFQWSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000449195185 388156010 /nfs/dbraw/zinc/15/60/10/388156010.db2.gz YXFJNVGTHGDPHY-RYUDHWBXSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449195186 388156390 /nfs/dbraw/zinc/15/63/90/388156390.db2.gz YXFJNVGTHGDPHY-VXGBXAGGSA-N 1 0 243.341 3.877 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449196011 388156482 /nfs/dbraw/zinc/15/64/82/388156482.db2.gz WGLGNTZCBUARNA-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449196012 388156282 /nfs/dbraw/zinc/15/62/82/388156282.db2.gz WGLGNTZCBUARNA-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO c1cc2cccc(C[NH2+][C@H]3C=CCCC3)c2o1 ZINC000449196089 388156493 /nfs/dbraw/zinc/15/64/93/388156493.db2.gz RLVRGVJMRQKUCR-AWEZNQCLSA-N 1 0 227.307 3.631 20 0 BHADRO c1cc2cccc(C[NH2+][C@@H]3C=CCCC3)c2o1 ZINC000449196090 388156366 /nfs/dbraw/zinc/15/63/66/388156366.db2.gz RLVRGVJMRQKUCR-CQSZACIVSA-N 1 0 227.307 3.631 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449200913 388156697 /nfs/dbraw/zinc/15/66/97/388156697.db2.gz HTTSYZXQCLIGKC-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449200914 388156851 /nfs/dbraw/zinc/15/68/51/388156851.db2.gz HTTSYZXQCLIGKC-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000449201545 201835003 /nfs/dbraw/zinc/83/50/03/201835003.db2.gz FALNMSJKLKFEIX-GUTXKFCHSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000449201547 388156589 /nfs/dbraw/zinc/15/65/89/388156589.db2.gz FALNMSJKLKFEIX-GZBFAFLISA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000449201548 388157117 /nfs/dbraw/zinc/15/71/17/388157117.db2.gz FALNMSJKLKFEIX-NFAWXSAZSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000449201550 200662734 /nfs/dbraw/zinc/66/27/34/200662734.db2.gz FALNMSJKLKFEIX-UMVBOHGHSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000449201954 201836666 /nfs/dbraw/zinc/83/66/66/201836666.db2.gz FDBHAXQLATUSJJ-DOMZBBRYSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000449201955 201837481 /nfs/dbraw/zinc/83/74/81/201837481.db2.gz FDBHAXQLATUSJJ-IUODEOHRSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000449201956 388156541 /nfs/dbraw/zinc/15/65/41/388156541.db2.gz FDBHAXQLATUSJJ-SWLSCSKDSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000449201957 388157082 /nfs/dbraw/zinc/15/70/82/388157082.db2.gz FDBHAXQLATUSJJ-WFASDCNBSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cc(CNc2cc(C)cc(C)[nH+]2)cs1 ZINC000449204408 388156865 /nfs/dbraw/zinc/15/68/65/388156865.db2.gz JDRVYMUFZAKXEF-UHFFFAOYSA-N 1 0 232.352 3.680 20 0 BHADRO CC[C@H](CSC)[NH2+]Cc1cccc2ccoc21 ZINC000449205667 487840691 /nfs/dbraw/zinc/84/06/91/487840691.db2.gz OLKFAERTSFYSLU-CYBMUJFWSA-N 1 0 249.379 3.664 20 0 BHADRO CC[C@@H](CSC)[NH2+]Cc1cccc2ccoc21 ZINC000449205668 487840791 /nfs/dbraw/zinc/84/07/91/487840791.db2.gz OLKFAERTSFYSLU-ZDUSSCGKSA-N 1 0 249.379 3.664 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccccn1)C1CCCC1 ZINC000449207637 201837170 /nfs/dbraw/zinc/83/71/70/201837170.db2.gz NGUAJYWMGALVGX-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccccn1)C1CCCC1 ZINC000449207638 201837766 /nfs/dbraw/zinc/83/77/66/201837766.db2.gz NGUAJYWMGALVGX-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)c1 ZINC000449208529 201838243 /nfs/dbraw/zinc/83/82/43/201838243.db2.gz POGKIOQUSXTYPF-FMKPAKJESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)c1 ZINC000449208530 388157601 /nfs/dbraw/zinc/15/76/01/388157601.db2.gz POGKIOQUSXTYPF-IIAWOOMASA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)c1 ZINC000449208531 388157537 /nfs/dbraw/zinc/15/75/37/388157537.db2.gz POGKIOQUSXTYPF-LZWOXQAQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000449208532 388157777 /nfs/dbraw/zinc/15/77/77/388157777.db2.gz POGKIOQUSXTYPF-SQWLQELKSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000449209907 388157365 /nfs/dbraw/zinc/15/73/65/388157365.db2.gz REEYOWZBNIQLDU-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000449209908 388157836 /nfs/dbraw/zinc/15/78/36/388157836.db2.gz REEYOWZBNIQLDU-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000449209909 388157299 /nfs/dbraw/zinc/15/72/99/388157299.db2.gz REEYOWZBNIQLDU-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000449209910 388157520 /nfs/dbraw/zinc/15/75/20/388157520.db2.gz REEYOWZBNIQLDU-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO c1cc2cccc(C[NH2+]CC3(C4CC4)CC3)c2o1 ZINC000449210445 388157613 /nfs/dbraw/zinc/15/76/13/388157613.db2.gz TWOHJXZAVQDGFV-UHFFFAOYSA-N 1 0 241.334 3.713 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncc(C)c1)C1CCCC1 ZINC000449211224 201836478 /nfs/dbraw/zinc/83/64/78/201836478.db2.gz SPJAWHOYULKDEP-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncc(C)c1)C1CCCC1 ZINC000449211226 388157665 /nfs/dbraw/zinc/15/76/65/388157665.db2.gz SPJAWHOYULKDEP-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CCC1 ZINC000449211262 384393368 /nfs/dbraw/zinc/39/33/68/384393368.db2.gz SRINDFPAZFNRJT-GFCCVEGCSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CCC(F)(F)CC1)C1CCC1 ZINC000449211264 384392143 /nfs/dbraw/zinc/39/21/43/384392143.db2.gz SRINDFPAZFNRJT-LBPRGKRZSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000449215145 201840390 /nfs/dbraw/zinc/84/03/90/201840390.db2.gz ZTPDZSBJVRRWDR-JTQLQIEISA-N 1 0 233.346 3.979 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000449215146 388158435 /nfs/dbraw/zinc/15/84/35/388158435.db2.gz ZTPDZSBJVRRWDR-SNVBAGLBSA-N 1 0 233.346 3.979 20 0 BHADRO COc1cc2ccccc2cc1C[NH2+]C(C)(C)C ZINC000449219503 388159223 /nfs/dbraw/zinc/15/92/23/388159223.db2.gz NLLKHHGCTBBMCI-UHFFFAOYSA-N 1 0 243.350 3.737 20 0 BHADRO COc1cc(C[NH2+]C(C)(C)C)cc2ccccc21 ZINC000449221981 388159339 /nfs/dbraw/zinc/15/93/39/388159339.db2.gz VCWWOFJUFZXIDD-UHFFFAOYSA-N 1 0 243.350 3.737 20 0 BHADRO COc1cccc2c(C[NH2+]C(C)(C)C)cccc12 ZINC000449223766 388159356 /nfs/dbraw/zinc/15/93/56/388159356.db2.gz YYECFTQVVQMNNN-UHFFFAOYSA-N 1 0 243.350 3.737 20 0 BHADRO CCN(Cc1cccc2ccoc21)CC(F)F ZINC000449239821 388160702 /nfs/dbraw/zinc/16/07/02/388160702.db2.gz WXJMJZBKURBOHN-UHFFFAOYSA-N 1 0 239.265 3.520 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)cs1 ZINC000449241082 388160827 /nfs/dbraw/zinc/16/08/27/388160827.db2.gz QXCGBFZHZWIYDI-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)cs1 ZINC000449241083 388160870 /nfs/dbraw/zinc/16/08/70/388160870.db2.gz QXCGBFZHZWIYDI-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449241698 201846302 /nfs/dbraw/zinc/84/63/02/201846302.db2.gz CDCGBADUJZCVFN-HZSPNIEDSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449241699 388161127 /nfs/dbraw/zinc/16/11/27/388161127.db2.gz CDCGBADUJZCVFN-IHRRRGAJSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449241700 384498064 /nfs/dbraw/zinc/49/80/64/384498064.db2.gz CDCGBADUJZCVFN-MELADBBJSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449241701 200663856 /nfs/dbraw/zinc/66/38/56/200663856.db2.gz CDCGBADUJZCVFN-RDBSUJKOSA-N 1 0 249.423 3.706 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449241733 201846349 /nfs/dbraw/zinc/84/63/49/201846349.db2.gz CKBNGPLECMCRLT-GXSJLCMTSA-N 1 0 249.276 3.531 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccoc1 ZINC000449241734 388161300 /nfs/dbraw/zinc/16/13/00/388161300.db2.gz CKBNGPLECMCRLT-KOLCDFICSA-N 1 0 249.276 3.531 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccoc1 ZINC000449241735 388161034 /nfs/dbraw/zinc/16/10/34/388161034.db2.gz CKBNGPLECMCRLT-MWLCHTKSSA-N 1 0 249.276 3.531 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449241736 388160855 /nfs/dbraw/zinc/16/08/55/388160855.db2.gz CKBNGPLECMCRLT-ONGXEEELSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000449242571 201847387 /nfs/dbraw/zinc/84/73/87/201847387.db2.gz XXCATFOXVGPNET-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000449242573 388161894 /nfs/dbraw/zinc/16/18/94/388161894.db2.gz XXCATFOXVGPNET-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000449242575 388161951 /nfs/dbraw/zinc/16/19/51/388161951.db2.gz XXCATFOXVGPNET-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000449242576 388161600 /nfs/dbraw/zinc/16/16/00/388161600.db2.gz XXCATFOXVGPNET-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCC[C@H]1CCCCO1)C1CCC1 ZINC000449243055 388161471 /nfs/dbraw/zinc/16/14/71/388161471.db2.gz HUIBGDGQFGYSDJ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)C1CCC1 ZINC000449243056 256782140 /nfs/dbraw/zinc/78/21/40/256782140.db2.gz HUIBGDGQFGYSDJ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)C1CCC1 ZINC000449243057 397952619 /nfs/dbraw/zinc/95/26/19/397952619.db2.gz HUIBGDGQFGYSDJ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)C1CCC1 ZINC000449243058 397952597 /nfs/dbraw/zinc/95/25/97/397952597.db2.gz HUIBGDGQFGYSDJ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000449244158 388161654 /nfs/dbraw/zinc/16/16/54/388161654.db2.gz QGYQWHZYQGDCMF-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000449244159 388162016 /nfs/dbraw/zinc/16/20/16/388162016.db2.gz QGYQWHZYQGDCMF-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCC[C@H]1CCCCO1 ZINC000449244160 201846392 /nfs/dbraw/zinc/84/63/92/201846392.db2.gz QGYQWHZYQGDCMF-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCC[C@H]1CCCCO1 ZINC000449244161 388161945 /nfs/dbraw/zinc/16/19/45/388161945.db2.gz QGYQWHZYQGDCMF-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000449245848 388162070 /nfs/dbraw/zinc/16/20/70/388162070.db2.gz CGAIVBSKGUSIIN-CHWSQXEVSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000449245849 388161648 /nfs/dbraw/zinc/16/16/48/388161648.db2.gz CGAIVBSKGUSIIN-OLZOCXBDSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000449245850 388161890 /nfs/dbraw/zinc/16/18/90/388161890.db2.gz CGAIVBSKGUSIIN-QWHCGFSZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000449245851 388162108 /nfs/dbraw/zinc/16/21/08/388162108.db2.gz CGAIVBSKGUSIIN-STQMWFEESA-N 1 0 234.387 3.865 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(Cl)cn1 ZINC000449250877 388162635 /nfs/dbraw/zinc/16/26/35/388162635.db2.gz MVCMLXISVAFMQI-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(Cl)cn1 ZINC000449250892 388162648 /nfs/dbraw/zinc/16/26/48/388162648.db2.gz MVCMLXISVAFMQI-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO Fc1cnccc1C[NH2+]CCC1=CCCCCC1 ZINC000449254695 398285664 /nfs/dbraw/zinc/28/56/64/398285664.db2.gz ZRIZTPJYSDWOAC-UHFFFAOYSA-N 1 0 248.345 3.591 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000449255000 388163508 /nfs/dbraw/zinc/16/35/08/388163508.db2.gz ATYNYSNAXDGCHP-LMLFDSFASA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000449255001 388163774 /nfs/dbraw/zinc/16/37/74/388163774.db2.gz ATYNYSNAXDGCHP-RCWTZXSCSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000449255002 388163209 /nfs/dbraw/zinc/16/32/09/388163209.db2.gz ATYNYSNAXDGCHP-VPOLOUISSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000449255103 388163682 /nfs/dbraw/zinc/16/36/82/388163682.db2.gz ATYNYSNAXDGCHP-YTWAJWBKSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1CCCC1 ZINC000449255914 388163842 /nfs/dbraw/zinc/16/38/42/388163842.db2.gz HEDDFNGNTLCXRO-GXSJLCMTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CCCC1 ZINC000449255915 201850189 /nfs/dbraw/zinc/85/01/89/201850189.db2.gz HEDDFNGNTLCXRO-KOLCDFICSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CCCC1 ZINC000449255916 201851885 /nfs/dbraw/zinc/85/18/85/201851885.db2.gz HEDDFNGNTLCXRO-MWLCHTKSSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C1CCCC1 ZINC000449255917 388163358 /nfs/dbraw/zinc/16/33/58/388163358.db2.gz HEDDFNGNTLCXRO-ONGXEEELSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C(F)(F)F ZINC000449257287 388163401 /nfs/dbraw/zinc/16/34/01/388163401.db2.gz LNLCBXJYPANMOB-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)C(F)(F)F ZINC000449257288 388163289 /nfs/dbraw/zinc/16/32/89/388163289.db2.gz LNLCBXJYPANMOB-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)C(F)(F)F ZINC000449257289 201848098 /nfs/dbraw/zinc/84/80/98/201848098.db2.gz LNLCBXJYPANMOB-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000449257290 388163809 /nfs/dbraw/zinc/16/38/09/388163809.db2.gz LNLCBXJYPANMOB-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cc2cccnc2o1 ZINC000449265153 388164591 /nfs/dbraw/zinc/16/45/91/388164591.db2.gz OUMZXVDVASBPTI-UHFFFAOYSA-N 1 0 246.354 3.600 20 0 BHADRO CC(C)=CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449279829 201856744 /nfs/dbraw/zinc/85/67/44/201856744.db2.gz TURCFSUWCXLYNG-LLVKDONJSA-N 1 0 239.309 3.624 20 0 BHADRO CC(C)=CC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449279830 388166488 /nfs/dbraw/zinc/16/64/88/388166488.db2.gz TURCFSUWCXLYNG-NSHDSACASA-N 1 0 239.309 3.624 20 0 BHADRO CCOC1CC(CC[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449281089 259338448 /nfs/dbraw/zinc/33/84/48/259338448.db2.gz YYQIPLZMFNCBDO-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(CC[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449281097 259338214 /nfs/dbraw/zinc/33/82/14/259338214.db2.gz YYQIPLZMFNCBDO-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCC3)cs1 ZINC000449281240 388167470 /nfs/dbraw/zinc/16/74/70/388167470.db2.gz CNZUKUKQWCRBJJ-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CC3)CC2)cs1 ZINC000449281612 388167031 /nfs/dbraw/zinc/16/70/31/388167031.db2.gz DKIAQGYMQIWRRF-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC23CCCC3)cs1 ZINC000449282822 224495247 /nfs/dbraw/zinc/49/52/47/224495247.db2.gz JDYGRJKSLDNFFK-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC23CCCC3)cs1 ZINC000449282823 491126455 /nfs/dbraw/zinc/12/64/55/491126455.db2.gz JDYGRJKSLDNFFK-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000449282863 201858303 /nfs/dbraw/zinc/85/83/03/201858303.db2.gz JMDMTDHJVWBFLH-NEPJUHHUSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000449282864 388167508 /nfs/dbraw/zinc/16/75/08/388167508.db2.gz JMDMTDHJVWBFLH-NWDGAFQWSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000449282865 388167573 /nfs/dbraw/zinc/16/75/73/388167573.db2.gz JMDMTDHJVWBFLH-RYUDHWBXSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000449282866 388166953 /nfs/dbraw/zinc/16/69/53/388166953.db2.gz JMDMTDHJVWBFLH-VXGBXAGGSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCCC[C@H]1C ZINC000449284970 388166942 /nfs/dbraw/zinc/16/69/42/388166942.db2.gz QCLIRTODMCMEJZ-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000449284971 388167547 /nfs/dbraw/zinc/16/75/47/388167547.db2.gz QCLIRTODMCMEJZ-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCCC[C@H]1C ZINC000449284972 201857788 /nfs/dbraw/zinc/85/77/88/201857788.db2.gz QCLIRTODMCMEJZ-JFGNBEQYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000449284973 388167710 /nfs/dbraw/zinc/16/77/10/388167710.db2.gz QCLIRTODMCMEJZ-SCVCMEIPSA-N 1 0 231.330 3.589 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449287497 388167992 /nfs/dbraw/zinc/16/79/92/388167992.db2.gz WVRFBVLYMNLYBD-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO FC1(F)CC([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449288220 388168440 /nfs/dbraw/zinc/16/84/40/388168440.db2.gz YJOYQWJVHZJADP-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449288221 388168257 /nfs/dbraw/zinc/16/82/57/388168257.db2.gz YJOYQWJVHZJADP-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO COc1cc(C)ccc1C[N@@H+]1CCCC12CCC2 ZINC000449288567 388167946 /nfs/dbraw/zinc/16/79/46/388167946.db2.gz ZIKQVTXWUURTLU-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCCC[C@H]1C ZINC000449289647 388167883 /nfs/dbraw/zinc/16/78/83/388167883.db2.gz BJAGKDDJHAXCFG-MQYQWHSLSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCCC[C@H]1C ZINC000449289648 388168311 /nfs/dbraw/zinc/16/83/11/388168311.db2.gz BJAGKDDJHAXCFG-RFGFWPKPSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCCC[C@H]1C ZINC000449289649 388168088 /nfs/dbraw/zinc/16/80/88/388168088.db2.gz BJAGKDDJHAXCFG-RQJABVFESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCCC[C@H]1C ZINC000449289650 388168325 /nfs/dbraw/zinc/16/83/25/388168325.db2.gz BJAGKDDJHAXCFG-SYQHCUMBSA-N 1 0 241.444 3.544 20 0 BHADRO C[N@H+](Cc1cc2cccnc2o1)C1(C)CCCC1 ZINC000449291898 388168343 /nfs/dbraw/zinc/16/83/43/388168343.db2.gz OIUHHNXRXFVRQT-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCCC1 ZINC000449292008 201859816 /nfs/dbraw/zinc/85/98/16/201859816.db2.gz BIHVJJLOYBWBRB-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)F)CC1)C1CCCC1 ZINC000449292009 388168406 /nfs/dbraw/zinc/16/84/06/388168406.db2.gz BIHVJJLOYBWBRB-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CSCC1CCC([NH2+]CCC2(C)CC2)CC1 ZINC000449292396 388167940 /nfs/dbraw/zinc/16/79/40/388167940.db2.gz CYEMSXHSGHOWGB-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000449295313 388169278 /nfs/dbraw/zinc/16/92/78/388169278.db2.gz RICXJYPQXSIWFI-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000449295314 388169280 /nfs/dbraw/zinc/16/92/80/388169280.db2.gz RICXJYPQXSIWFI-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000449295315 388169129 /nfs/dbraw/zinc/16/91/29/388169129.db2.gz RICXJYPQXSIWFI-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000449295316 388168709 /nfs/dbraw/zinc/16/87/09/388168709.db2.gz RICXJYPQXSIWFI-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCCC1 ZINC000449295372 201857871 /nfs/dbraw/zinc/85/78/71/201857871.db2.gz RRVSNZAPZZMXMC-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)F)CC1)C1CCCC1 ZINC000449295373 388166235 /nfs/dbraw/zinc/16/62/35/388166235.db2.gz RRVSNZAPZZMXMC-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO FCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449296812 388168849 /nfs/dbraw/zinc/16/88/49/388168849.db2.gz AFURYPFRIZFAPV-AAEUAGOBSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449296813 388169292 /nfs/dbraw/zinc/16/92/92/388169292.db2.gz AFURYPFRIZFAPV-DGCLKSJQSA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449296814 388168963 /nfs/dbraw/zinc/16/89/63/388168963.db2.gz AFURYPFRIZFAPV-WCQYABFASA-N 1 0 241.737 3.535 20 0 BHADRO FCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449296815 388168684 /nfs/dbraw/zinc/16/86/84/388168684.db2.gz AFURYPFRIZFAPV-YPMHNXCESA-N 1 0 241.737 3.535 20 0 BHADRO CC1=CCC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449298479 388169305 /nfs/dbraw/zinc/16/93/05/388169305.db2.gz IERRUXRQFOXEGD-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO Cc1ccccc1-c1ccccc1C[NH2+]CCF ZINC000449302355 388169801 /nfs/dbraw/zinc/16/98/01/388169801.db2.gz VESQGVJQGNYGOI-UHFFFAOYSA-N 1 0 243.325 3.721 20 0 BHADRO CSCCC[N@H+](C)Cc1cccc2ccoc21 ZINC000449303001 388169561 /nfs/dbraw/zinc/16/95/61/388169561.db2.gz LNGWAUBGJDWQHV-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000449303326 388170193 /nfs/dbraw/zinc/17/01/93/388170193.db2.gz XWDMWBDCLJMXOV-KGYLQXTDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000449303327 388170136 /nfs/dbraw/zinc/17/01/36/388170136.db2.gz XWDMWBDCLJMXOV-RAIGVLPGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000449303328 388169431 /nfs/dbraw/zinc/16/94/31/388169431.db2.gz XWDMWBDCLJMXOV-RTXFEEFZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000449303329 388169753 /nfs/dbraw/zinc/16/97/53/388169753.db2.gz XWDMWBDCLJMXOV-WXHSDQCUSA-N 1 0 209.377 3.589 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449303845 201863631 /nfs/dbraw/zinc/86/36/31/201863631.db2.gz ZHZPYIKQVDFMMC-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449303846 388170885 /nfs/dbraw/zinc/17/08/85/388170885.db2.gz ZHZPYIKQVDFMMC-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449303847 388170338 /nfs/dbraw/zinc/17/03/38/388170338.db2.gz ZHZPYIKQVDFMMC-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449303848 388170791 /nfs/dbraw/zinc/17/07/91/388170791.db2.gz ZHZPYIKQVDFMMC-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CCC1 ZINC000449308084 388170525 /nfs/dbraw/zinc/17/05/25/388170525.db2.gz ULBPGBUVEMTIFI-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CCC1 ZINC000449308085 388170504 /nfs/dbraw/zinc/17/05/04/388170504.db2.gz ULBPGBUVEMTIFI-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000449308274 388170541 /nfs/dbraw/zinc/17/05/41/388170541.db2.gz VYDAPZSVFTZOFH-GMTAPVOTSA-N 1 0 249.345 3.561 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000449308275 388170417 /nfs/dbraw/zinc/17/04/17/388170417.db2.gz VYDAPZSVFTZOFH-HBNTYKKESA-N 1 0 249.345 3.561 20 0 BHADRO CCSCCC[NH2+]Cc1cccc2ccoc21 ZINC000449308370 388170319 /nfs/dbraw/zinc/17/03/19/388170319.db2.gz WONXFZSEHJCIGD-UHFFFAOYSA-N 1 0 249.379 3.666 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccncc1F ZINC000449311920 388171377 /nfs/dbraw/zinc/17/13/77/388171377.db2.gz LAFLYLFGPFZUSY-GHMZBOCLSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccncc1F ZINC000449311921 388171264 /nfs/dbraw/zinc/17/12/64/388171264.db2.gz LAFLYLFGPFZUSY-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccncc1F ZINC000449311922 388171558 /nfs/dbraw/zinc/17/15/58/388171558.db2.gz LAFLYLFGPFZUSY-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccncc1F ZINC000449311923 388171274 /nfs/dbraw/zinc/17/12/74/388171274.db2.gz LAFLYLFGPFZUSY-WDEREUQCSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)SCC[NH2+]Cc1cccc2ccoc21 ZINC000449316926 219833641 /nfs/dbraw/zinc/83/36/41/219833641.db2.gz AHMSXNXHSZNSOU-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO Cc1cccc(CCC[NH2+][C@@H](C)CC(C)(C)C)n1 ZINC000449317228 388171602 /nfs/dbraw/zinc/17/16/02/388171602.db2.gz RHDJSACFIUPWTQ-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccc(CCC[NH2+][C@H](C)CC(C)(C)C)n1 ZINC000449317229 201866171 /nfs/dbraw/zinc/86/61/71/201866171.db2.gz RHDJSACFIUPWTQ-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CC(C)CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000449317683 388171134 /nfs/dbraw/zinc/17/11/34/388171134.db2.gz DDWXPHCHVOVLGR-CYDGBPFRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000449317684 388171622 /nfs/dbraw/zinc/17/16/22/388171622.db2.gz DDWXPHCHVOVLGR-NDBYEHHHSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000449317685 201865894 /nfs/dbraw/zinc/86/58/94/201865894.db2.gz DDWXPHCHVOVLGR-RNJOBUHISA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000449317686 201865111 /nfs/dbraw/zinc/86/51/11/201865111.db2.gz DDWXPHCHVOVLGR-VOAKCMCISA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000449318340 388171962 /nfs/dbraw/zinc/17/19/62/388171962.db2.gz CQSUOEWRBCRXCY-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000449318341 388171206 /nfs/dbraw/zinc/17/12/06/388171206.db2.gz CQSUOEWRBCRXCY-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449319859 388172809 /nfs/dbraw/zinc/17/28/09/388172809.db2.gz LEKHMJUQGPWEDA-SDDRHHMPSA-N 1 0 243.341 3.733 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000449319860 388172464 /nfs/dbraw/zinc/17/24/64/388172464.db2.gz LEKHMJUQGPWEDA-SRVKXCTJSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[C@H]1C ZINC000449319868 388172773 /nfs/dbraw/zinc/17/27/73/388172773.db2.gz LESPXABBHTWJFT-JMSVASOKSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[C@H]1C ZINC000449319869 388172494 /nfs/dbraw/zinc/17/24/94/388172494.db2.gz LESPXABBHTWJFT-LALPHHSUSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[C@@H]1C ZINC000449319870 201867792 /nfs/dbraw/zinc/86/77/92/201867792.db2.gz LESPXABBHTWJFT-YWPYICTPSA-N 1 0 243.350 3.752 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[C@@H]1C ZINC000449319871 388172433 /nfs/dbraw/zinc/17/24/33/388172433.db2.gz LESPXABBHTWJFT-ZOWXZIJZSA-N 1 0 243.350 3.752 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCC1 ZINC000449320950 388172457 /nfs/dbraw/zinc/17/24/57/388172457.db2.gz QEOPURSVTONBMI-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCC1 ZINC000449320951 201868643 /nfs/dbraw/zinc/86/86/43/201868643.db2.gz QEOPURSVTONBMI-TUAOUCFPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C(C1CCC1)C1CCC1 ZINC000449321214 383845856 /nfs/dbraw/zinc/84/58/56/383845856.db2.gz RKZNWAGJRMAFSA-GFCCVEGCSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C(C1CCC1)C1CCC1 ZINC000449321215 383843842 /nfs/dbraw/zinc/84/38/42/383843842.db2.gz RKZNWAGJRMAFSA-LBPRGKRZSA-N 1 0 247.382 3.769 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)C1CCC1 ZINC000449321381 388172533 /nfs/dbraw/zinc/17/25/33/388172533.db2.gz LSSQMCQDHBQQHB-LLVKDONJSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)C1CCC1 ZINC000449321382 388172314 /nfs/dbraw/zinc/17/23/14/388172314.db2.gz LSSQMCQDHBQQHB-NSHDSACASA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449321553 388172410 /nfs/dbraw/zinc/17/24/10/388172410.db2.gz MMJXJCQLEAFFSV-JTQLQIEISA-N 1 0 247.304 3.641 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449321554 388172452 /nfs/dbraw/zinc/17/24/52/388172452.db2.gz MMJXJCQLEAFFSV-SNVBAGLBSA-N 1 0 247.304 3.641 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000449322310 388172351 /nfs/dbraw/zinc/17/23/51/388172351.db2.gz OZWPFSKARWYKNX-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000449322311 201867511 /nfs/dbraw/zinc/86/75/11/201867511.db2.gz OZWPFSKARWYKNX-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000449322312 383851689 /nfs/dbraw/zinc/85/16/89/383851689.db2.gz OZWPFSKARWYKNX-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000449322313 383850799 /nfs/dbraw/zinc/85/07/99/383850799.db2.gz OZWPFSKARWYKNX-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCCC1 ZINC000449324534 388172450 /nfs/dbraw/zinc/17/24/50/388172450.db2.gz YZWCZFCMEGMAIB-LLVKDONJSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCCC1 ZINC000449324535 388172643 /nfs/dbraw/zinc/17/26/43/388172643.db2.gz YZWCZFCMEGMAIB-NSHDSACASA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCCC1 ZINC000449327146 388172399 /nfs/dbraw/zinc/17/23/99/388172399.db2.gz AJSJRNSZPJOWRU-HTAVTVPLSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCCC1 ZINC000449327147 388172435 /nfs/dbraw/zinc/17/24/35/388172435.db2.gz AJSJRNSZPJOWRU-MCIGGMRASA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1csc(C)c1 ZINC000449327167 388173314 /nfs/dbraw/zinc/17/33/14/388173314.db2.gz AOMYHTIHRFSKHO-GFCCVEGCSA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1csc(C)c1 ZINC000449327168 388173539 /nfs/dbraw/zinc/17/35/39/388173539.db2.gz AOMYHTIHRFSKHO-LBPRGKRZSA-N 1 0 243.441 3.630 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449328145 388173546 /nfs/dbraw/zinc/17/35/46/388173546.db2.gz DXLDKJTZXASKNI-HZSPNIEDSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449328149 388173509 /nfs/dbraw/zinc/17/35/09/388173509.db2.gz DXLDKJTZXASKNI-MCIONIFRSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449328150 388173393 /nfs/dbraw/zinc/17/33/93/388173393.db2.gz DXLDKJTZXASKNI-MGPQQGTHSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449328151 201870241 /nfs/dbraw/zinc/87/02/41/201870241.db2.gz DXLDKJTZXASKNI-RDBSUJKOSA-N 1 0 239.378 3.970 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000449328390 201869702 /nfs/dbraw/zinc/86/97/02/201869702.db2.gz FNUDYQGOPOANBR-IDKOKCKLSA-N 1 0 237.309 3.742 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000449328391 388173683 /nfs/dbraw/zinc/17/36/83/388173683.db2.gz FNUDYQGOPOANBR-XNWIYYODSA-N 1 0 237.309 3.742 20 0 BHADRO Cc1cc(C[N@@H+]2CCCc3occc3C2)cs1 ZINC000449328658 388173485 /nfs/dbraw/zinc/17/34/85/388173485.db2.gz KJACTTWAUNUOKY-UHFFFAOYSA-N 1 0 247.363 3.598 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cc2cccnc2o1 ZINC000449328790 388173070 /nfs/dbraw/zinc/17/30/70/388173070.db2.gz LHINGZURNPHCPV-UHFFFAOYSA-N 1 0 246.354 3.838 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2CCC2)cs1 ZINC000449329700 383875166 /nfs/dbraw/zinc/87/51/66/383875166.db2.gz IYJSAANWCBOUMV-LLVKDONJSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2CCC2)cs1 ZINC000449329701 383873551 /nfs/dbraw/zinc/87/35/51/383873551.db2.gz IYJSAANWCBOUMV-NSHDSACASA-N 1 0 223.385 3.677 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CCCC1 ZINC000449329926 388174376 /nfs/dbraw/zinc/17/43/76/388174376.db2.gz KAUZWCAJNWDRTG-IHRRRGAJSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CCCC1 ZINC000449329927 201869923 /nfs/dbraw/zinc/86/99/23/201869923.db2.gz KAUZWCAJNWDRTG-MCIONIFRSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CCCC1 ZINC000449329928 388174080 /nfs/dbraw/zinc/17/40/80/388174080.db2.gz KAUZWCAJNWDRTG-MJBXVCDLSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CCCC1 ZINC000449329929 388174269 /nfs/dbraw/zinc/17/42/69/388174269.db2.gz KAUZWCAJNWDRTG-RDBSUJKOSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCC1(F)CCC1 ZINC000449330441 201869676 /nfs/dbraw/zinc/86/96/76/201869676.db2.gz LHPGJKZGOCACPU-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCC1(F)CCC1 ZINC000449330442 388173964 /nfs/dbraw/zinc/17/39/64/388173964.db2.gz LHPGJKZGOCACPU-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)COC)C1CCC1 ZINC000449331345 388174250 /nfs/dbraw/zinc/17/42/50/388174250.db2.gz OAVOESDSRMQPQO-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(C)COC)C1CCC1 ZINC000449331346 388174018 /nfs/dbraw/zinc/17/40/18/388174018.db2.gz OAVOESDSRMQPQO-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc2cccnc2o1 ZINC000449332465 388174125 /nfs/dbraw/zinc/17/41/25/388174125.db2.gz RHZFLEZPIFUOFG-AAEUAGOBSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc2cccnc2o1 ZINC000449332466 388174491 /nfs/dbraw/zinc/17/44/91/388174491.db2.gz RHZFLEZPIFUOFG-DGCLKSJQSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc2cccnc2o1 ZINC000449332467 388174058 /nfs/dbraw/zinc/17/40/58/388174058.db2.gz RHZFLEZPIFUOFG-WCQYABFASA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc2cccnc2o1 ZINC000449332468 388174232 /nfs/dbraw/zinc/17/42/32/388174232.db2.gz RHZFLEZPIFUOFG-YPMHNXCESA-N 1 0 244.338 3.591 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cc2cccnc2o1 ZINC000449333305 388174136 /nfs/dbraw/zinc/17/41/36/388174136.db2.gz GMAHMZOCNOVDMD-GFCCVEGCSA-N 1 0 246.354 3.838 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cc2cccnc2o1 ZINC000449333306 388174632 /nfs/dbraw/zinc/17/46/32/388174632.db2.gz GMAHMZOCNOVDMD-LBPRGKRZSA-N 1 0 246.354 3.838 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000449333448 383879873 /nfs/dbraw/zinc/87/98/73/383879873.db2.gz VECWXJKNICSNDK-CYBMUJFWSA-N 1 0 243.435 3.854 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000449333449 229608468 /nfs/dbraw/zinc/60/84/68/229608468.db2.gz VECWXJKNICSNDK-ZDUSSCGKSA-N 1 0 243.435 3.854 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000449333768 388174871 /nfs/dbraw/zinc/17/48/71/388174871.db2.gz VWXPLFJJKQTPHK-FESBJMALSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000449333769 201871913 /nfs/dbraw/zinc/87/19/13/201871913.db2.gz VWXPLFJJKQTPHK-GQYKCQBRSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000449333770 388174883 /nfs/dbraw/zinc/17/48/83/388174883.db2.gz VWXPLFJJKQTPHK-PSEORLGDSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000449333771 201872905 /nfs/dbraw/zinc/87/29/05/201872905.db2.gz VWXPLFJJKQTPHK-SGCDDIOWSA-N 1 0 249.320 3.742 20 0 BHADRO Cc1cccc(C[NH2+]CCC2(F)CCC2)c1F ZINC000449334035 383883275 /nfs/dbraw/zinc/88/32/75/383883275.db2.gz WIXFTJKHGMLSPR-UHFFFAOYSA-N 1 0 239.309 3.506 20 0 BHADRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000449334123 388174888 /nfs/dbraw/zinc/17/48/88/388174888.db2.gz IHWQTRPRXCADMG-AWEZNQCLSA-N 1 0 247.407 3.821 20 0 BHADRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000449334124 388175031 /nfs/dbraw/zinc/17/50/31/388175031.db2.gz IHWQTRPRXCADMG-CQSZACIVSA-N 1 0 247.407 3.821 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@H]1CCCC[C@H]1C ZINC000449334419 388174836 /nfs/dbraw/zinc/17/48/36/388174836.db2.gz XIOSDLHRLBFXMX-BJJPWKGXSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CCCC[C@H]1C ZINC000449334421 388175286 /nfs/dbraw/zinc/17/52/86/388175286.db2.gz XIOSDLHRLBFXMX-HTOAHKCRSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CCCC[C@H]1C ZINC000449334422 388174910 /nfs/dbraw/zinc/17/49/10/388174910.db2.gz XIOSDLHRLBFXMX-ITGHMWBKSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@H]1CCCC[C@H]1C ZINC000449334424 388175384 /nfs/dbraw/zinc/17/53/84/388175384.db2.gz XIOSDLHRLBFXMX-QMVSFRDZSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]CCCCF ZINC000449334533 388174976 /nfs/dbraw/zinc/17/49/76/388174976.db2.gz FDXFMEIKMIYREK-GFCCVEGCSA-N 1 0 249.329 3.703 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCCF ZINC000449334534 388174760 /nfs/dbraw/zinc/17/47/60/388174760.db2.gz FDXFMEIKMIYREK-LBPRGKRZSA-N 1 0 249.329 3.703 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCC23CCC3)CCC1 ZINC000449334756 398294492 /nfs/dbraw/zinc/29/44/92/398294492.db2.gz XZFRRJWGTCZVSL-GFCCVEGCSA-N 1 0 225.351 3.581 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCC23CCC3)CCC1 ZINC000449334762 200666119 /nfs/dbraw/zinc/66/61/19/200666119.db2.gz XZFRRJWGTCZVSL-LBPRGKRZSA-N 1 0 225.351 3.581 20 0 BHADRO FC1(CC[NH2+]Cc2cccc3ccoc32)CCC1 ZINC000449335422 388175407 /nfs/dbraw/zinc/17/54/07/388175407.db2.gz ZWYJXWFEMLUEAU-UHFFFAOYSA-N 1 0 247.313 3.805 20 0 BHADRO CC[N@H+](Cc1cc2cccnc2o1)CC(C)(C)C ZINC000449336554 388175414 /nfs/dbraw/zinc/17/54/14/388175414.db2.gz OCLIIKUTXIIXJH-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2occc2C)cs1 ZINC000449336929 388174968 /nfs/dbraw/zinc/17/49/68/388174968.db2.gz PRMBDOVCNGQSOI-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO COCC1(CC[NH2+][C@H](C)CC(C)(C)C)CCC1 ZINC000449337232 388175892 /nfs/dbraw/zinc/17/58/92/388175892.db2.gz ASKRMOBSPKAJFC-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)CC(C)(C)C)CCC1 ZINC000449337234 388176264 /nfs/dbraw/zinc/17/62/64/388176264.db2.gz ASKRMOBSPKAJFC-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000449337354 388175855 /nfs/dbraw/zinc/17/58/55/388175855.db2.gz REJANSOZHAXWAH-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCC[C@H]1C ZINC000449337355 388175957 /nfs/dbraw/zinc/17/59/57/388175957.db2.gz REJANSOZHAXWAH-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCC[C@H]1C ZINC000449337356 388176058 /nfs/dbraw/zinc/17/60/58/388176058.db2.gz REJANSOZHAXWAH-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000449337357 383894807 /nfs/dbraw/zinc/89/48/07/383894807.db2.gz REJANSOZHAXWAH-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ncc(C)s2)CC1 ZINC000449338694 388176332 /nfs/dbraw/zinc/17/63/32/388176332.db2.gz HEKCYAOHPXMUCC-HAQNSBGRSA-N 1 0 238.400 3.510 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1CCCC[C@H]1C ZINC000449339472 388176289 /nfs/dbraw/zinc/17/62/89/388176289.db2.gz XYQDULBSBBXQBJ-AGIUHOORSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1CCCC[C@H]1C ZINC000449339473 388176123 /nfs/dbraw/zinc/17/61/23/388176123.db2.gz XYQDULBSBBXQBJ-FRRDWIJNSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H]1CCCC[C@H]1C ZINC000449339474 388176393 /nfs/dbraw/zinc/17/63/93/388176393.db2.gz XYQDULBSBBXQBJ-JHJVBQTASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@H]1CCCC[C@H]1C ZINC000449339475 201875585 /nfs/dbraw/zinc/87/55/85/201875585.db2.gz XYQDULBSBBXQBJ-UPJWGTAASA-N 1 0 215.356 3.541 20 0 BHADRO Cc1cc(C[NH+](C2CCC2)C2CCC2)cs1 ZINC000449339959 201875313 /nfs/dbraw/zinc/87/53/13/201875313.db2.gz MBFGJBIACHYGKG-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cc2cccnc2o1 ZINC000449341164 388177225 /nfs/dbraw/zinc/17/72/25/388177225.db2.gz SCTKZGIYTPTTFI-UHFFFAOYSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@H](C)c1cc(F)cc(F)c1 ZINC000449341833 388177274 /nfs/dbraw/zinc/17/72/74/388177274.db2.gz WWPDMUCFWICDIF-HZMBPMFUSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@H](C)c1cc(F)cc(F)c1 ZINC000449341834 388176873 /nfs/dbraw/zinc/17/68/73/388176873.db2.gz WWPDMUCFWICDIF-IINYFYTJSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@@H]1CC[N@@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449341835 388177043 /nfs/dbraw/zinc/17/70/43/388177043.db2.gz WWPDMUCFWICDIF-QMTHXVAHSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@H]1CC[N@@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449341836 388177038 /nfs/dbraw/zinc/17/70/38/388177038.db2.gz WWPDMUCFWICDIF-YGRLFVJLSA-N 1 0 239.309 3.553 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)F)C1CCCC1 ZINC000449342309 388176919 /nfs/dbraw/zinc/17/69/19/388176919.db2.gz APYDQWXWVQDVAQ-AAEUAGOBSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)F)C1CCCC1 ZINC000449342310 201874730 /nfs/dbraw/zinc/87/47/30/201874730.db2.gz APYDQWXWVQDVAQ-DGCLKSJQSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)F)C1CCCC1 ZINC000449342311 201874072 /nfs/dbraw/zinc/87/40/72/201874072.db2.gz APYDQWXWVQDVAQ-WCQYABFASA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)F)C1CCCC1 ZINC000449342312 388176792 /nfs/dbraw/zinc/17/67/92/388176792.db2.gz APYDQWXWVQDVAQ-YPMHNXCESA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449343064 201874426 /nfs/dbraw/zinc/87/44/26/201874426.db2.gz HMOBRYJPCSIRDV-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCCC[C@@H]1C ZINC000449344169 388177603 /nfs/dbraw/zinc/17/76/03/388177603.db2.gz PRZFCWVJHJJEOT-RVMXOQNASA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCCC[C@@H]1C ZINC000449344170 201878154 /nfs/dbraw/zinc/87/81/54/201878154.db2.gz PRZFCWVJHJJEOT-WUHRBBMRSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCCC[C@H]1C ZINC000449344171 201876183 /nfs/dbraw/zinc/87/61/83/201876183.db2.gz PRZFCWVJHJJEOT-XQHKEYJVSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCCC[C@H]1C ZINC000449344172 388177646 /nfs/dbraw/zinc/17/76/46/388177646.db2.gz PRZFCWVJHJJEOT-YVECIDJPSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000449344344 388177746 /nfs/dbraw/zinc/17/77/46/388177746.db2.gz QGSYEBDQKMJNCH-LMWSTFAQSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000449344345 388178124 /nfs/dbraw/zinc/17/81/24/388178124.db2.gz QGSYEBDQKMJNCH-XGNXJENSSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CCC(C)(C)C1CC1 ZINC000449344431 201877089 /nfs/dbraw/zinc/87/70/89/201877089.db2.gz RGCQRSRKYGRNBC-GFCCVEGCSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CCC(C)(C)C1CC1 ZINC000449344432 201877691 /nfs/dbraw/zinc/87/76/91/201877691.db2.gz RGCQRSRKYGRNBC-LBPRGKRZSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H]1CSC[C@@H]1Nc1ccc(C2CCC2)cn1 ZINC000449344782 388177549 /nfs/dbraw/zinc/17/75/49/388177549.db2.gz SESADJIRFSVHPA-GWCFXTLKSA-N 1 0 248.395 3.513 20 0 BHADRO C[C@H]1CSC[C@H]1Nc1ccc(C2CCC2)cn1 ZINC000449344783 388177515 /nfs/dbraw/zinc/17/75/15/388177515.db2.gz SESADJIRFSVHPA-GXFFZTMASA-N 1 0 248.395 3.513 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449345026 388177551 /nfs/dbraw/zinc/17/75/51/388177551.db2.gz TZRUDFMJWQIKKC-NEPJUHHUSA-N 1 0 249.329 3.702 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@H](C)F ZINC000449345027 388177809 /nfs/dbraw/zinc/17/78/09/388177809.db2.gz TZRUDFMJWQIKKC-NWDGAFQWSA-N 1 0 249.329 3.702 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449345028 388178022 /nfs/dbraw/zinc/17/80/22/388178022.db2.gz TZRUDFMJWQIKKC-RYUDHWBXSA-N 1 0 249.329 3.702 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449345029 388177932 /nfs/dbraw/zinc/17/79/32/388177932.db2.gz TZRUDFMJWQIKKC-VXGBXAGGSA-N 1 0 249.329 3.702 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449345463 388177604 /nfs/dbraw/zinc/17/76/04/388177604.db2.gz VWOMFIOEMBYXKU-CHWSQXEVSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449345464 201876984 /nfs/dbraw/zinc/87/69/84/201876984.db2.gz VWOMFIOEMBYXKU-OLZOCXBDSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449345465 201877646 /nfs/dbraw/zinc/87/76/46/201877646.db2.gz VWOMFIOEMBYXKU-QWHCGFSZSA-N 1 0 227.367 3.827 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449345466 388177834 /nfs/dbraw/zinc/17/78/34/388177834.db2.gz VWOMFIOEMBYXKU-STQMWFEESA-N 1 0 227.367 3.827 20 0 BHADRO C[C@]1(F)CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000449347028 388177716 /nfs/dbraw/zinc/17/77/16/388177716.db2.gz AXRVNTIBQUDQJV-JYJNAYRXSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@]1(F)CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000449347029 388177999 /nfs/dbraw/zinc/17/79/99/388177999.db2.gz AXRVNTIBQUDQJV-OAGGEKHMSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@]1(F)CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000449347030 388177898 /nfs/dbraw/zinc/17/78/98/388177898.db2.gz AXRVNTIBQUDQJV-PMPSAXMXSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@]1(F)CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000449347031 388177652 /nfs/dbraw/zinc/17/76/52/388177652.db2.gz AXRVNTIBQUDQJV-XHSDSOJGSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000449348110 388178006 /nfs/dbraw/zinc/17/80/06/388178006.db2.gz FKPMNXARIDFWJS-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000449348112 388177928 /nfs/dbraw/zinc/17/79/28/388177928.db2.gz FKPMNXARIDFWJS-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000449348114 388177948 /nfs/dbraw/zinc/17/79/48/388177948.db2.gz FKPMNXARIDFWJS-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000449348116 201877737 /nfs/dbraw/zinc/87/77/37/201877737.db2.gz FKPMNXARIDFWJS-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@]1(F)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000449348201 388177577 /nfs/dbraw/zinc/17/75/77/388177577.db2.gz FZRQWBMGGQRQNN-BOSPYUDASA-N 1 0 233.330 3.524 20 0 BHADRO C[C@@]1(F)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000449348202 388178014 /nfs/dbraw/zinc/17/80/14/388178014.db2.gz FZRQWBMGGQRQNN-FUVBFXSKSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@@]1(F)CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000449348203 388177573 /nfs/dbraw/zinc/17/75/73/388177573.db2.gz FZRQWBMGGQRQNN-HMZQOCAUSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@]1(F)CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000449348204 388177521 /nfs/dbraw/zinc/17/75/21/388177521.db2.gz FZRQWBMGGQRQNN-ZHMISCPASA-N 1 0 233.330 3.524 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000449348969 201877895 /nfs/dbraw/zinc/87/78/95/201877895.db2.gz DMZGUYLDAQIBCQ-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000449348971 388178058 /nfs/dbraw/zinc/17/80/58/388178058.db2.gz DMZGUYLDAQIBCQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449348981 388179152 /nfs/dbraw/zinc/17/91/52/388179152.db2.gz DRHDYDMXGZNVAN-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449348982 388179255 /nfs/dbraw/zinc/17/92/55/388179255.db2.gz DRHDYDMXGZNVAN-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449348983 388179076 /nfs/dbraw/zinc/17/90/76/388179076.db2.gz DRHDYDMXGZNVAN-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449348984 388179172 /nfs/dbraw/zinc/17/91/72/388179172.db2.gz DRHDYDMXGZNVAN-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCC(C)(F)F ZINC000449348989 383927376 /nfs/dbraw/zinc/92/73/76/383927376.db2.gz DSOQUYMERHGAQO-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCC(C)(F)F ZINC000449348990 383925849 /nfs/dbraw/zinc/92/58/49/383925849.db2.gz DSOQUYMERHGAQO-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCCC(C)(F)F ZINC000449349366 201878180 /nfs/dbraw/zinc/87/81/80/201878180.db2.gz FXSLGSLWAHSUJY-MRVPVSSYSA-N 1 0 247.251 3.742 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCCC(C)(F)F ZINC000449349367 388178550 /nfs/dbraw/zinc/17/85/50/388178550.db2.gz FXSLGSLWAHSUJY-QMMMGPOBSA-N 1 0 247.251 3.742 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000449350121 383927168 /nfs/dbraw/zinc/92/71/68/383927168.db2.gz IKVRFMYKAQRPMJ-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000449350122 383925980 /nfs/dbraw/zinc/92/59/80/383925980.db2.gz IKVRFMYKAQRPMJ-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000449350123 383928714 /nfs/dbraw/zinc/92/87/14/383928714.db2.gz IKVRFMYKAQRPMJ-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000449350124 383926018 /nfs/dbraw/zinc/92/60/18/383926018.db2.gz IKVRFMYKAQRPMJ-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000449351010 388179023 /nfs/dbraw/zinc/17/90/23/388179023.db2.gz NFCBERBLHMPXHE-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000449351975 388179913 /nfs/dbraw/zinc/17/99/13/388179913.db2.gz STXMXKFSDMSUIF-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000449351976 388179708 /nfs/dbraw/zinc/17/97/08/388179708.db2.gz STXMXKFSDMSUIF-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000449351977 201880364 /nfs/dbraw/zinc/88/03/64/201880364.db2.gz STXMXKFSDMSUIF-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000449351978 388177558 /nfs/dbraw/zinc/17/75/58/388177558.db2.gz STXMXKFSDMSUIF-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449352202 219835489 /nfs/dbraw/zinc/83/54/89/219835489.db2.gz USKOTJAFMJOOCS-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000449352203 219835675 /nfs/dbraw/zinc/83/56/75/219835675.db2.gz USKOTJAFMJOOCS-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449352206 383930057 /nfs/dbraw/zinc/93/00/57/383930057.db2.gz USKOTJAFMJOOCS-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000449352208 219835427 /nfs/dbraw/zinc/83/54/27/219835427.db2.gz USKOTJAFMJOOCS-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCCC(C)(F)F ZINC000449352453 201879150 /nfs/dbraw/zinc/87/91/50/201879150.db2.gz VNQYHDJJJGVLQP-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCCC(C)(F)F ZINC000449352454 388178714 /nfs/dbraw/zinc/17/87/14/388178714.db2.gz VNQYHDJJJGVLQP-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1cccc2ccoc21 ZINC000449353398 201878812 /nfs/dbraw/zinc/87/88/12/201878812.db2.gz AYLTWFWXEVKBAO-UHFFFAOYSA-N 1 0 239.265 3.568 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)C1CCCCCC1 ZINC000449353456 201878908 /nfs/dbraw/zinc/87/89/08/201878908.db2.gz BTIWRPKBBXWSRS-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)C1CCCCCC1 ZINC000449353457 388179859 /nfs/dbraw/zinc/17/98/59/388179859.db2.gz BTIWRPKBBXWSRS-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC(C)(F)F ZINC000449353574 388180054 /nfs/dbraw/zinc/18/00/54/388180054.db2.gz DAJHYSHGORMUJB-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC(C)(F)F ZINC000449353575 201878614 /nfs/dbraw/zinc/87/86/14/201878614.db2.gz DAJHYSHGORMUJB-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC(C)(F)F ZINC000449353701 388179752 /nfs/dbraw/zinc/17/97/52/388179752.db2.gz FRVDCUJOPPPELE-NEPJUHHUSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC(C)(F)F ZINC000449353702 388179916 /nfs/dbraw/zinc/17/99/16/388179916.db2.gz FRVDCUJOPPPELE-NWDGAFQWSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC(C)(F)F ZINC000449353703 388179736 /nfs/dbraw/zinc/17/97/36/388179736.db2.gz FRVDCUJOPPPELE-RYUDHWBXSA-N 1 0 231.330 3.614 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC(C)(F)F ZINC000449353704 388179769 /nfs/dbraw/zinc/17/97/69/388179769.db2.gz FRVDCUJOPPPELE-VXGBXAGGSA-N 1 0 231.330 3.614 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000449353765 388179765 /nfs/dbraw/zinc/17/97/65/388179765.db2.gz GLWYBAZRDSMGEY-JTQLQIEISA-N 1 0 245.288 3.564 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(F)F)c1ccc(F)cc1 ZINC000449353766 201878894 /nfs/dbraw/zinc/87/88/94/201878894.db2.gz GLWYBAZRDSMGEY-SNVBAGLBSA-N 1 0 245.288 3.564 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCC[C@H]1C ZINC000449353881 388179654 /nfs/dbraw/zinc/17/96/54/388179654.db2.gz HXHACBOXNJKTOS-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCC[C@H]1C ZINC000449353882 201880296 /nfs/dbraw/zinc/88/02/96/201880296.db2.gz HXHACBOXNJKTOS-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCCC[C@H]1C ZINC000449353883 388179909 /nfs/dbraw/zinc/17/99/09/388179909.db2.gz HXHACBOXNJKTOS-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCCC[C@H]1C ZINC000449353884 201879166 /nfs/dbraw/zinc/87/91/66/201879166.db2.gz HXHACBOXNJKTOS-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCC(C)(F)F ZINC000449353918 383955229 /nfs/dbraw/zinc/95/52/29/383955229.db2.gz IFRBRBCBULNIMT-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCC(C)(F)F ZINC000449353919 205479056 /nfs/dbraw/zinc/47/90/56/205479056.db2.gz IFRBRBCBULNIMT-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000449353990 205478558 /nfs/dbraw/zinc/47/85/58/205478558.db2.gz JBNFJKQGHZLZJQ-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000449353991 383955162 /nfs/dbraw/zinc/95/51/62/383955162.db2.gz JBNFJKQGHZLZJQ-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000449353992 383954781 /nfs/dbraw/zinc/95/47/81/383954781.db2.gz JBNFJKQGHZLZJQ-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000449353993 383955195 /nfs/dbraw/zinc/95/51/95/383955195.db2.gz JBNFJKQGHZLZJQ-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449354065 201879708 /nfs/dbraw/zinc/87/97/08/201879708.db2.gz JSXWIGGWZXNJFL-GHMZBOCLSA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC(C)(F)F ZINC000449354066 388180137 /nfs/dbraw/zinc/18/01/37/388180137.db2.gz JSXWIGGWZXNJFL-MNOVXSKESA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC(C)(F)F ZINC000449354067 388179824 /nfs/dbraw/zinc/17/98/24/388179824.db2.gz JSXWIGGWZXNJFL-QWRGUYRKSA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449354068 388179942 /nfs/dbraw/zinc/17/99/42/388179942.db2.gz JSXWIGGWZXNJFL-WDEREUQCSA-N 1 0 221.335 3.836 20 0 BHADRO CCCc1cccc(C[NH2+]CCC(C)(F)F)c1 ZINC000449354321 388179776 /nfs/dbraw/zinc/17/97/76/388179776.db2.gz MIJNRPLGOLRXAP-UHFFFAOYSA-N 1 0 241.325 3.774 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCCC1CCOCC1 ZINC000449354636 388180095 /nfs/dbraw/zinc/18/00/95/388180095.db2.gz PZEPATCVWQWMAL-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCCC1CCOCC1 ZINC000449354637 388179902 /nfs/dbraw/zinc/17/99/02/388179902.db2.gz PZEPATCVWQWMAL-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449354669 388179810 /nfs/dbraw/zinc/17/98/10/388179810.db2.gz QEFPVGQJXMSRAM-LLVKDONJSA-N 1 0 219.319 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC(C)(F)F ZINC000449354670 388179658 /nfs/dbraw/zinc/17/96/58/388179658.db2.gz QEFPVGQJXMSRAM-NSHDSACASA-N 1 0 219.319 3.756 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC(C)(F)F ZINC000449354721 388180556 /nfs/dbraw/zinc/18/05/56/388180556.db2.gz QTBRZUFWKRXGJF-BENRWUELSA-N 1 0 239.309 3.725 20 0 BHADRO CC[C@H](C[NH2+]CCC(C)(F)F)c1ccccc1 ZINC000449354757 388180777 /nfs/dbraw/zinc/18/07/77/388180777.db2.gz RAMQERDUTUWCCL-GFCCVEGCSA-N 1 0 241.325 3.815 20 0 BHADRO CC[C@@H](C[NH2+]CCC(C)(F)F)c1ccccc1 ZINC000449354758 388180645 /nfs/dbraw/zinc/18/06/45/388180645.db2.gz RAMQERDUTUWCCL-LBPRGKRZSA-N 1 0 241.325 3.815 20 0 BHADRO CCc1cccc(F)c1C[NH2+]CCC(C)(F)F ZINC000449354990 383960517 /nfs/dbraw/zinc/96/05/17/383960517.db2.gz UECQJNRFTLEFGS-UHFFFAOYSA-N 1 0 245.288 3.523 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449355104 388181006 /nfs/dbraw/zinc/18/10/06/388181006.db2.gz VQPCKTFWGXSWAI-LLVKDONJSA-N 1 0 221.335 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCC(C)(F)F ZINC000449355105 388170425 /nfs/dbraw/zinc/17/04/25/388170425.db2.gz VQPCKTFWGXSWAI-NSHDSACASA-N 1 0 221.335 3.836 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CCC(C)(F)F ZINC000449355139 388180535 /nfs/dbraw/zinc/18/05/35/388180535.db2.gz WBCNLURTXIPNKO-JTQLQIEISA-N 1 0 247.354 3.704 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CCC(C)(F)F ZINC000449355140 383959943 /nfs/dbraw/zinc/95/99/43/383959943.db2.gz WBCNLURTXIPNKO-SNVBAGLBSA-N 1 0 247.354 3.704 20 0 BHADRO CCCC(CCC)[NH2+]CCCC1CCOCC1 ZINC000449355184 201882631 /nfs/dbraw/zinc/88/26/31/201882631.db2.gz WRORJCAKUJGHEL-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC1(C)CCC([NH2+]CCC(C)(F)F)CC1 ZINC000449355213 388180533 /nfs/dbraw/zinc/18/05/33/388180533.db2.gz WYNYGJIXDYMEAN-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(F)F)ccc1Cl ZINC000449355316 388181055 /nfs/dbraw/zinc/18/10/55/388181055.db2.gz XYSBRXOUFVFRDQ-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355325 201881220 /nfs/dbraw/zinc/88/12/20/201881220.db2.gz YBPPPMVJIRJCSF-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000449355326 201881027 /nfs/dbraw/zinc/88/10/27/201881027.db2.gz YBPPPMVJIRJCSF-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355327 388180938 /nfs/dbraw/zinc/18/09/38/388180938.db2.gz YBPPPMVJIRJCSF-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000449355328 388180775 /nfs/dbraw/zinc/18/07/75/388180775.db2.gz YBPPPMVJIRJCSF-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO Cc1cccc(CC[NH2+]CCCC(C)(F)F)c1 ZINC000449355361 201881295 /nfs/dbraw/zinc/88/12/95/201881295.db2.gz YIKQNMSHOSGCFH-UHFFFAOYSA-N 1 0 241.325 3.563 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCC1CCOCC1 ZINC000449355449 388180780 /nfs/dbraw/zinc/18/07/80/388180780.db2.gz ZOGBGVCGBZPHOD-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCC1CCOCC1 ZINC000449355450 201880990 /nfs/dbraw/zinc/88/09/90/201880990.db2.gz ZOGBGVCGBZPHOD-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356821 388180618 /nfs/dbraw/zinc/18/06/18/388180618.db2.gz AYQPUGLZXFNMCA-GMTAPVOTSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356823 388180877 /nfs/dbraw/zinc/18/08/77/388180877.db2.gz AYQPUGLZXFNMCA-MXWKQRLJSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356824 388180754 /nfs/dbraw/zinc/18/07/54/388180754.db2.gz AYQPUGLZXFNMCA-OUAUKWLOSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356826 388180489 /nfs/dbraw/zinc/18/04/89/388180489.db2.gz AYQPUGLZXFNMCA-VWYCJHECSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(F)F ZINC000449357172 388180971 /nfs/dbraw/zinc/18/09/71/388180971.db2.gz BXUWYVFANZFOKF-GXSJLCMTSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccsc1)C(F)F ZINC000449357173 388180953 /nfs/dbraw/zinc/18/09/53/388180953.db2.gz BXUWYVFANZFOKF-KOLCDFICSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(F)F ZINC000449357174 388180949 /nfs/dbraw/zinc/18/09/49/388180949.db2.gz BXUWYVFANZFOKF-MWLCHTKSSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(F)F ZINC000449357175 388180737 /nfs/dbraw/zinc/18/07/37/388180737.db2.gz BXUWYVFANZFOKF-ONGXEEELSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(F)F ZINC000449358993 383970306 /nfs/dbraw/zinc/97/03/06/383970306.db2.gz HBSYNHPVQHHRFS-GXSJLCMTSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CCCC1)C(F)F ZINC000449358995 383969222 /nfs/dbraw/zinc/96/92/22/383969222.db2.gz HBSYNHPVQHHRFS-KOLCDFICSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CCC(CC)CC1)C(F)F ZINC000449359796 388181704 /nfs/dbraw/zinc/18/17/04/388181704.db2.gz ICORSUFWAKJJFU-ILDUYXDCSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(CC)CC1)C(F)F ZINC000449359797 388181607 /nfs/dbraw/zinc/18/16/07/388181607.db2.gz ICORSUFWAKJJFU-VQXHTEKXSA-N 1 0 219.319 3.589 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](CC)C(F)F ZINC000449360394 388181869 /nfs/dbraw/zinc/18/18/69/388181869.db2.gz JAKKHQLQAWPQHX-NXEZZACHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](CC)C(F)F ZINC000449360395 388181445 /nfs/dbraw/zinc/18/14/45/388181445.db2.gz JAKKHQLQAWPQHX-UWVGGRQHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](CC)C(F)F ZINC000449360396 388181711 /nfs/dbraw/zinc/18/17/11/388181711.db2.gz JAKKHQLQAWPQHX-VHSXEESVSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](CC)C(F)F ZINC000449360397 388181429 /nfs/dbraw/zinc/18/14/29/388181429.db2.gz JAKKHQLQAWPQHX-ZJUUUORDSA-N 1 0 207.308 3.589 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000449360724 388181486 /nfs/dbraw/zinc/18/14/86/388181486.db2.gz IDWOZBPDQBSUEJ-CSYMLDBXSA-N 1 0 249.320 3.694 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000449360725 388181764 /nfs/dbraw/zinc/18/17/64/388181764.db2.gz IDWOZBPDQBSUEJ-IYKVGLELSA-N 1 0 249.320 3.694 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000449360726 388181876 /nfs/dbraw/zinc/18/18/76/388181876.db2.gz IDWOZBPDQBSUEJ-LVEVGFFFSA-N 1 0 249.320 3.694 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000449360727 388181677 /nfs/dbraw/zinc/18/16/77/388181677.db2.gz IDWOZBPDQBSUEJ-ROHXPCBUSA-N 1 0 249.320 3.694 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](CC)C(F)F ZINC000449360868 383975744 /nfs/dbraw/zinc/97/57/44/383975744.db2.gz JTXDGPCSNRNYIN-JTQLQIEISA-N 1 0 207.308 3.589 20 0 BHADRO CCCC(CCC)[NH2+][C@H](CC)C(F)F ZINC000449360869 383976548 /nfs/dbraw/zinc/97/65/48/383976548.db2.gz JTXDGPCSNRNYIN-SNVBAGLBSA-N 1 0 207.308 3.589 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](CC)C(F)F ZINC000449361190 388182579 /nfs/dbraw/zinc/18/25/79/388182579.db2.gz KPQWTLZUUUFHAW-CHWSQXEVSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)C(F)F ZINC000449361191 388182252 /nfs/dbraw/zinc/18/22/52/388182252.db2.gz KPQWTLZUUUFHAW-OLZOCXBDSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)Cc1ccccc1)C(F)F ZINC000449361192 388182016 /nfs/dbraw/zinc/18/20/16/388182016.db2.gz KPQWTLZUUUFHAW-QWHCGFSZSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)C(F)F ZINC000449361193 388182076 /nfs/dbraw/zinc/18/20/76/388182076.db2.gz KPQWTLZUUUFHAW-STQMWFEESA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(F)F ZINC000449362285 383982770 /nfs/dbraw/zinc/98/27/70/383982770.db2.gz MPHBKSIASPWMNW-AAEUAGOBSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(F)F ZINC000449362290 383981172 /nfs/dbraw/zinc/98/11/72/383981172.db2.gz MPHBKSIASPWMNW-DGCLKSJQSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(F)F ZINC000449362296 383982807 /nfs/dbraw/zinc/98/28/07/383982807.db2.gz MPHBKSIASPWMNW-WCQYABFASA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1)C(F)F ZINC000449362299 383982529 /nfs/dbraw/zinc/98/25/29/383982529.db2.gz MPHBKSIASPWMNW-YPMHNXCESA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H]([NH2+]C1CCC(C)(C)CC1)C(F)F ZINC000449362508 388182138 /nfs/dbraw/zinc/18/21/38/388182138.db2.gz NCGFIOZZTKIWGN-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(F)F ZINC000449362514 388182332 /nfs/dbraw/zinc/18/23/32/388182332.db2.gz NCGFIOZZTKIWGN-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC)C(F)F)c1ccccc1 ZINC000449362947 388182204 /nfs/dbraw/zinc/18/22/04/388182204.db2.gz OKHHDYIHUHTWEZ-AAEUAGOBSA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](CC)c1ccccc1)C(F)F ZINC000449362948 388182415 /nfs/dbraw/zinc/18/24/15/388182415.db2.gz OKHHDYIHUHTWEZ-DGCLKSJQSA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC)C(F)F)c1ccccc1 ZINC000449362949 388182653 /nfs/dbraw/zinc/18/26/53/388182653.db2.gz OKHHDYIHUHTWEZ-WCQYABFASA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC)C(F)F)c1ccccc1 ZINC000449362950 388182151 /nfs/dbraw/zinc/18/21/51/388182151.db2.gz OKHHDYIHUHTWEZ-YPMHNXCESA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(F)F ZINC000449363047 383986877 /nfs/dbraw/zinc/98/68/77/383986877.db2.gz OPMVKQGYZJULIB-GVXVVHGQSA-N 1 0 241.325 3.812 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(F)F ZINC000449363048 383988253 /nfs/dbraw/zinc/98/82/53/383988253.db2.gz OPMVKQGYZJULIB-LOWVWBTDSA-N 1 0 241.325 3.812 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(F)F ZINC000449363050 383987381 /nfs/dbraw/zinc/98/73/81/383987381.db2.gz OPMVKQGYZJULIB-MDZLAQPJSA-N 1 0 241.325 3.812 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C(F)F ZINC000449363053 383987608 /nfs/dbraw/zinc/98/76/08/383987608.db2.gz OPMVKQGYZJULIB-WZRBSPASSA-N 1 0 241.325 3.812 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(F)F ZINC000449363666 388182027 /nfs/dbraw/zinc/18/20/27/388182027.db2.gz QDEWQWXLUVKSNW-GHMZBOCLSA-N 1 0 219.319 3.755 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)C(F)F ZINC000449363667 388182439 /nfs/dbraw/zinc/18/24/39/388182439.db2.gz QDEWQWXLUVKSNW-MNOVXSKESA-N 1 0 219.319 3.755 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(F)F ZINC000449363668 388182492 /nfs/dbraw/zinc/18/24/92/388182492.db2.gz QDEWQWXLUVKSNW-QWRGUYRKSA-N 1 0 219.319 3.755 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(F)F ZINC000449363669 388182504 /nfs/dbraw/zinc/18/25/04/388182504.db2.gz QDEWQWXLUVKSNW-WDEREUQCSA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000449364202 388181986 /nfs/dbraw/zinc/18/19/86/388181986.db2.gz QHXDHGUBLKPZCS-AXFHLTTASA-N 1 0 237.309 3.694 20 0 BHADRO CC(C)C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000449364205 388182147 /nfs/dbraw/zinc/18/21/47/388182147.db2.gz QHXDHGUBLKPZCS-HBNTYKKESA-N 1 0 237.309 3.694 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(F)F ZINC000449364360 383996911 /nfs/dbraw/zinc/99/69/11/383996911.db2.gz RSLBJIDEYWVIKW-HTQZYQBOSA-N 1 0 247.251 3.741 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(F)F ZINC000449364361 383997102 /nfs/dbraw/zinc/99/71/02/383997102.db2.gz RSLBJIDEYWVIKW-JGVFFNPUSA-N 1 0 247.251 3.741 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(F)F ZINC000449364362 200667349 /nfs/dbraw/zinc/66/73/49/200667349.db2.gz RSLBJIDEYWVIKW-SFYZADRCSA-N 1 0 247.251 3.741 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(F)F ZINC000449364363 383998047 /nfs/dbraw/zinc/99/80/47/383998047.db2.gz RSLBJIDEYWVIKW-YUMQZZPRSA-N 1 0 247.251 3.741 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(F)F ZINC000449364626 388183705 /nfs/dbraw/zinc/18/37/05/388183705.db2.gz STBHDJMBLIOSMO-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(F)F ZINC000449364627 388183656 /nfs/dbraw/zinc/18/36/56/388183656.db2.gz STBHDJMBLIOSMO-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(F)F ZINC000449364628 388183178 /nfs/dbraw/zinc/18/31/78/388183178.db2.gz STBHDJMBLIOSMO-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(F)F ZINC000449364629 388183564 /nfs/dbraw/zinc/18/35/64/388183564.db2.gz STBHDJMBLIOSMO-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CCC1CC([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000449366128 388182909 /nfs/dbraw/zinc/18/29/09/388182909.db2.gz REFQZFBZWRZXMJ-CPCZMJQVSA-N 1 0 247.407 3.654 20 0 BHADRO CCC1CC([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000449366129 201886879 /nfs/dbraw/zinc/88/68/79/201886879.db2.gz REFQZFBZWRZXMJ-OTTFEQOBSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000449366635 201887428 /nfs/dbraw/zinc/88/74/28/201887428.db2.gz ZMZWEPXDRDNKCY-SRVKXCTJSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000449366636 388183609 /nfs/dbraw/zinc/18/36/09/388183609.db2.gz ZMZWEPXDRDNKCY-TUAOUCFPSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000449366637 388183516 /nfs/dbraw/zinc/18/35/16/388183516.db2.gz ZMZWEPXDRDNKCY-UTUOFQBUSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000449366638 388183235 /nfs/dbraw/zinc/18/32/35/388183235.db2.gz ZMZWEPXDRDNKCY-WOPDTQHZSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449367251 388184051 /nfs/dbraw/zinc/18/40/51/388184051.db2.gz UVARMIAKWHYKRI-BZPMIXESSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000449367252 201887579 /nfs/dbraw/zinc/88/75/79/201887579.db2.gz UVARMIAKWHYKRI-DYEKYZERSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000449367253 388184452 /nfs/dbraw/zinc/18/44/52/388184452.db2.gz UVARMIAKWHYKRI-MBNYWOFBSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449367254 201886110 /nfs/dbraw/zinc/88/61/10/201886110.db2.gz UVARMIAKWHYKRI-YRGRVCCFSA-N 1 0 247.407 3.654 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH+]1CC2(CC2)C1 ZINC000449369552 398291829 /nfs/dbraw/zinc/29/18/29/398291829.db2.gz DITMKEBCRMHPAY-UHFFFAOYSA-N 1 0 227.351 3.550 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(Cl)cc1 ZINC000449369586 201887436 /nfs/dbraw/zinc/88/74/36/201887436.db2.gz FAAJBFJEJDTNML-ALXWSUNGSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(Cl)cc1 ZINC000449369587 388184337 /nfs/dbraw/zinc/18/43/37/388184337.db2.gz FAAJBFJEJDTNML-UHEGKEBESA-N 1 0 241.737 3.881 20 0 BHADRO CC1(F)CC([NH2+]Cc2cc3ccccc3s2)C1 ZINC000449370277 388183897 /nfs/dbraw/zinc/18/38/97/388183897.db2.gz JAEWNTCFRWQNBK-UHFFFAOYSA-N 1 0 249.354 3.882 20 0 BHADRO Clc1oc2ccccc2c1CN1CC2(CC2)C1 ZINC000449370621 398292214 /nfs/dbraw/zinc/29/22/14/398292214.db2.gz LGUBIRLUMFDKPR-UHFFFAOYSA-N 1 0 247.725 3.682 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1CC(C)(F)C1 ZINC000449370817 200667012 /nfs/dbraw/zinc/66/70/12/200667012.db2.gz NDQMYKFIWWMOFB-WQLSENKSSA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1CC(C)(F)C1 ZINC000449370818 384038844 /nfs/dbraw/zinc/03/88/44/384038844.db2.gz NDQMYKFIWWMOFB-XYOKQWHBSA-N 1 0 233.330 3.570 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1CC(C)(F)C1 ZINC000449370820 388184129 /nfs/dbraw/zinc/18/41/29/388184129.db2.gz NDSZOXABOVMTBF-UHFFFAOYSA-N 1 0 247.313 3.721 20 0 BHADRO CC1(F)CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000449371140 388184305 /nfs/dbraw/zinc/18/43/05/388184305.db2.gz QRHLHIAIOHBAJG-UHFFFAOYSA-N 1 0 243.325 3.820 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000449371191 388184671 /nfs/dbraw/zinc/18/46/71/388184671.db2.gz RHHOHDQSBRQKKI-GRTSSRMGSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000449371192 388185390 /nfs/dbraw/zinc/18/53/90/388185390.db2.gz RHHOHDQSBRQKKI-LRVUVFPRSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H](C)c1ccccc1 ZINC000449371339 388185370 /nfs/dbraw/zinc/18/53/70/388185370.db2.gz TWHFUOSQKIHPBU-CZWNDGCPSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H](C)c1ccccc1 ZINC000449371340 388185287 /nfs/dbraw/zinc/18/52/87/388185287.db2.gz TWHFUOSQKIHPBU-HGWMRPEMSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H](C)c1ccccc1 ZINC000449371341 388185189 /nfs/dbraw/zinc/18/51/89/388185189.db2.gz TWHFUOSQKIHPBU-RMNLLRHXSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449371342 388185400 /nfs/dbraw/zinc/18/54/00/388185400.db2.gz TWHFUOSQKIHPBU-XOEAPDPESA-N 1 0 235.346 3.659 20 0 BHADRO CC1(F)CC([NH2+]Cc2cccc3ccccc32)C1 ZINC000449371415 384041738 /nfs/dbraw/zinc/04/17/38/384041738.db2.gz URHAPMSFLYBIET-UHFFFAOYSA-N 1 0 243.325 3.820 20 0 BHADRO CC1(F)CC([NH2+]Cc2csc3ccccc23)C1 ZINC000449371536 388184667 /nfs/dbraw/zinc/18/46/67/388184667.db2.gz VZADSFFACQZWJV-UHFFFAOYSA-N 1 0 249.354 3.882 20 0 BHADRO Cc1cc2cc(C[NH+]3CC4(CC4)C3)oc2cc1C ZINC000449371626 398292459 /nfs/dbraw/zinc/29/24/59/398292459.db2.gz WZZOGMQCGATLIZ-UHFFFAOYSA-N 1 0 241.334 3.645 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH+]1CC2(CC2)C1 ZINC000449371657 398292416 /nfs/dbraw/zinc/29/24/16/398292416.db2.gz XHVZTDKSHOVEOL-UHFFFAOYSA-N 1 0 235.758 3.553 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH+]1CC2(CC2)C1 ZINC000449371719 201888848 /nfs/dbraw/zinc/88/88/48/201888848.db2.gz XZQRZWQQHKXVNZ-UHFFFAOYSA-N 1 0 239.318 3.542 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CC3(CC3)C2)C1 ZINC000449371767 488067353 /nfs/dbraw/zinc/06/73/53/488067353.db2.gz YOIKQCYMZNQKOK-CVEARBPZSA-N 1 0 241.378 3.593 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CC3(CC3)C2)C1 ZINC000449371768 201888990 /nfs/dbraw/zinc/88/89/90/201888990.db2.gz YOIKQCYMZNQKOK-HOTGVXAUSA-N 1 0 241.378 3.593 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CC3(CC3)C2)C1 ZINC000449371769 398292465 /nfs/dbraw/zinc/29/24/65/398292465.db2.gz YOIKQCYMZNQKOK-HZPDHXFCSA-N 1 0 241.378 3.593 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CC3(CC3)C2)C1 ZINC000449371770 398292352 /nfs/dbraw/zinc/29/23/52/398292352.db2.gz YOIKQCYMZNQKOK-JKSUJKDBSA-N 1 0 241.378 3.593 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000449371832 388185240 /nfs/dbraw/zinc/18/52/40/388185240.db2.gz ZBYMHENDSTXCLI-IUDNXUCKSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000449371833 388185037 /nfs/dbraw/zinc/18/50/37/388185037.db2.gz ZBYMHENDSTXCLI-JEYLPNPQSA-N 1 0 249.373 3.796 20 0 BHADRO C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)C1CC1 ZINC000449372659 388185467 /nfs/dbraw/zinc/18/54/67/388185467.db2.gz KHRAVAXEAGOINI-JTQLQIEISA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)C1CC1 ZINC000449372660 388185159 /nfs/dbraw/zinc/18/51/59/388185159.db2.gz KHRAVAXEAGOINI-SNVBAGLBSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2)ccc1F ZINC000449373140 388185265 /nfs/dbraw/zinc/18/52/65/388185265.db2.gz OLKHIHOUMNMIMD-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO c1sc(C2CC2)nc1C[NH2+]CC1=CCCCC1 ZINC000449374364 388186348 /nfs/dbraw/zinc/18/63/48/388186348.db2.gz ADPYKYNRXJWWMG-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2CC(C)(F)C2)c1 ZINC000449374902 200667907 /nfs/dbraw/zinc/66/79/07/200667907.db2.gz DCZKLGIDSMNZOX-UHFFFAOYSA-N 1 0 241.737 3.629 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000449374908 388185895 /nfs/dbraw/zinc/18/58/95/388185895.db2.gz DFGSABLIZDTYFQ-FYRZTWFESA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000449374909 201891350 /nfs/dbraw/zinc/89/13/50/201891350.db2.gz DFGSABLIZDTYFQ-LVDPKSTMSA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000449374910 201891226 /nfs/dbraw/zinc/89/12/26/201891226.db2.gz DFGSABLIZDTYFQ-PWUWZPNHSA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000449374911 388186226 /nfs/dbraw/zinc/18/62/26/388186226.db2.gz DFGSABLIZDTYFQ-PYBGIAKNSA-N 1 0 247.357 3.803 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449374947 201891645 /nfs/dbraw/zinc/89/16/45/201891645.db2.gz GTKLZVDXDKRWPK-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449374948 398295689 /nfs/dbraw/zinc/29/56/89/398295689.db2.gz GTKLZVDXDKRWPK-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449374949 398295892 /nfs/dbraw/zinc/29/58/92/398295892.db2.gz GTKLZVDXDKRWPK-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449374950 201890727 /nfs/dbraw/zinc/89/07/27/201890727.db2.gz GTKLZVDXDKRWPK-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CC(C)(F)C2)C2CC2)cc1 ZINC000449375078 201892739 /nfs/dbraw/zinc/89/27/39/201892739.db2.gz FBRPHGXMPARKAU-HWOWSKLDSA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CC(C)(F)C2)C2CC2)cc1 ZINC000449375079 201892226 /nfs/dbraw/zinc/89/22/26/201892226.db2.gz FBRPHGXMPARKAU-PCKAHOCUSA-N 1 0 247.357 3.926 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375131 384061456 /nfs/dbraw/zinc/06/14/56/384061456.db2.gz FOTVEQZYVUVRPP-IALDZJHCSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375218 200670204 /nfs/dbraw/zinc/67/02/04/200670204.db2.gz FOTVEQZYVUVRPP-OKZRHMCRSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375219 384061325 /nfs/dbraw/zinc/06/13/25/384061325.db2.gz FOTVEQZYVUVRPP-ZFDZMSFRSA-N 1 0 215.356 3.681 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375221 384061257 /nfs/dbraw/zinc/06/12/57/384061257.db2.gz FOTVEQZYVUVRPP-ZSVAQUKISA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000449375411 201892746 /nfs/dbraw/zinc/89/27/46/201892746.db2.gz HAMNBZFVLIXSLT-IALDZJHCSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000449375413 388186312 /nfs/dbraw/zinc/18/63/12/388186312.db2.gz HAMNBZFVLIXSLT-OKZRHMCRSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC(C)(F)C1 ZINC000449375414 388185877 /nfs/dbraw/zinc/18/58/77/388185877.db2.gz HAMNBZFVLIXSLT-ZFDZMSFRSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000449375416 201892200 /nfs/dbraw/zinc/89/22/00/201892200.db2.gz HAMNBZFVLIXSLT-ZSVAQUKISA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(C)(F)C1 ZINC000449375601 398302493 /nfs/dbraw/zinc/30/24/93/398302493.db2.gz HUNSUAPSZDYTJO-XSRFYTQQSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(C)(F)C1 ZINC000449375603 398302683 /nfs/dbraw/zinc/30/26/83/398302683.db2.gz HUNSUAPSZDYTJO-ZBOXLXRLSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1ccc(C2CC([NH2+]C3CC(C)(F)C3)C2)cc1 ZINC000449375782 388185859 /nfs/dbraw/zinc/18/58/59/388185859.db2.gz JDRXRUAPTGZJRI-UHFFFAOYSA-N 1 0 247.357 3.721 20 0 BHADRO C[C@@H](CC[NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000449375944 388185823 /nfs/dbraw/zinc/18/58/23/388185823.db2.gz JYTMYZBXGOMMGC-GRTSSRMGSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000449375945 388186064 /nfs/dbraw/zinc/18/60/64/388186064.db2.gz JYTMYZBXGOMMGC-LRVUVFPRSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC1=CCCCC1 ZINC000449375985 384066163 /nfs/dbraw/zinc/06/61/63/384066163.db2.gz KHCXQCUBSJRCMT-JTQLQIEISA-N 1 0 235.293 3.807 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC1=CCCCC1 ZINC000449375986 384066144 /nfs/dbraw/zinc/06/61/44/384066144.db2.gz KHCXQCUBSJRCMT-SNVBAGLBSA-N 1 0 235.293 3.807 20 0 BHADRO c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CCCC1 ZINC000449376085 388185740 /nfs/dbraw/zinc/18/57/40/388185740.db2.gz KMELMXOXSXIPRI-AWEZNQCLSA-N 1 0 229.367 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CCCC1 ZINC000449376086 201890776 /nfs/dbraw/zinc/89/07/76/201890776.db2.gz KMELMXOXSXIPRI-CQSZACIVSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C1CC(C)(F)C1 ZINC000449376157 201891897 /nfs/dbraw/zinc/89/18/97/201891897.db2.gz LHELAIUTOYKSDF-PKSQDBQZSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C1CC(C)(F)C1 ZINC000449376158 388186522 /nfs/dbraw/zinc/18/65/22/388186522.db2.gz LHELAIUTOYKSDF-QFWMXSHPSA-N 1 0 241.375 3.549 20 0 BHADRO FC(F)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000449376168 384068653 /nfs/dbraw/zinc/06/86/53/384068653.db2.gz LMFHSCGUBUJCCX-UHFFFAOYSA-N 1 0 243.341 3.900 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449376397 201890819 /nfs/dbraw/zinc/89/08/19/201890819.db2.gz NBGFXYDUZDMHGV-HIFPTAJRSA-N 1 0 213.340 3.602 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449376398 388187188 /nfs/dbraw/zinc/18/71/88/388187188.db2.gz NBGFXYDUZDMHGV-PNESKVBLSA-N 1 0 213.340 3.602 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000449376596 384071204 /nfs/dbraw/zinc/07/12/04/384071204.db2.gz OMWXINPQNFEKRQ-IUDNXUCKSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000449376597 384069791 /nfs/dbraw/zinc/06/97/91/384069791.db2.gz OMWXINPQNFEKRQ-JEYLPNPQSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C)(F)C2)cc1Cl ZINC000449376833 388186865 /nfs/dbraw/zinc/18/68/65/388186865.db2.gz PYKGVBAJWONNGA-UHFFFAOYSA-N 1 0 241.737 3.629 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000449376946 388187304 /nfs/dbraw/zinc/18/73/04/388187304.db2.gz QGUFFFDPZVZGRI-FXQLLDNDSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000449376947 388187392 /nfs/dbraw/zinc/18/73/92/388187392.db2.gz QGUFFFDPZVZGRI-GEHVGKDHSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2CC(C)(F)C2)C[C@H]1c1ccccc1 ZINC000449376948 201891213 /nfs/dbraw/zinc/89/12/13/201891213.db2.gz QGUFFFDPZVZGRI-GNLWQGFUSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000449376949 388187161 /nfs/dbraw/zinc/18/71/61/388187161.db2.gz QGUFFFDPZVZGRI-KWTCLPAESA-N 1 0 247.357 3.659 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377331 201892762 /nfs/dbraw/zinc/89/27/62/201892762.db2.gz OTTCUXVNFSZBSH-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccccc1F ZINC000449377383 388186720 /nfs/dbraw/zinc/18/67/20/388186720.db2.gz SRVCRBSODCEBDP-AWAWDMARSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccccc1F ZINC000449377384 388187221 /nfs/dbraw/zinc/18/72/21/388187221.db2.gz SRVCRBSODCEBDP-IWXRYERYSA-N 1 0 239.309 3.757 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000449377404 388186782 /nfs/dbraw/zinc/18/67/82/388186782.db2.gz SVWYXCVORPQSLL-FXQLRMTLSA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000449377405 201891888 /nfs/dbraw/zinc/89/18/88/201891888.db2.gz SVWYXCVORPQSLL-QRNKSROTSA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000449377406 388187435 /nfs/dbraw/zinc/18/74/35/388187435.db2.gz SVWYXCVORPQSLL-QVOMUQBLSA-N 1 0 247.357 3.803 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000449377408 388186838 /nfs/dbraw/zinc/18/68/38/388186838.db2.gz SVWYXCVORPQSLL-WXLSXGNJSA-N 1 0 247.357 3.803 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377532 388186946 /nfs/dbraw/zinc/18/69/46/388186946.db2.gz OTTCUXVNFSZBSH-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377533 388186757 /nfs/dbraw/zinc/18/67/57/388186757.db2.gz OTTCUXVNFSZBSH-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377534 388187281 /nfs/dbraw/zinc/18/72/81/388187281.db2.gz OTTCUXVNFSZBSH-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C2CC(C)(F)C2)C1 ZINC000449377823 388187175 /nfs/dbraw/zinc/18/71/75/388187175.db2.gz UYRQLOMUYNNBSN-UHFFFAOYSA-N 1 0 247.357 3.721 20 0 BHADRO FCC(CF)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000449377903 206096668 /nfs/dbraw/zinc/09/66/68/206096668.db2.gz BVOZUNBWDXIUCY-UHFFFAOYSA-N 1 0 245.357 3.777 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000449378094 388188124 /nfs/dbraw/zinc/18/81/24/388188124.db2.gz VQEXZAVTWGSURS-CPCZMJQVSA-N 1 0 225.351 3.580 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000449378095 388188204 /nfs/dbraw/zinc/18/82/04/388188204.db2.gz VQEXZAVTWGSURS-OTTFEQOBSA-N 1 0 225.351 3.580 20 0 BHADRO c1nc(C2CC2)c(C[NH2+]CC2=CCCCC2)s1 ZINC000449378428 398295875 /nfs/dbraw/zinc/29/58/75/398295875.db2.gz WKPUXDLFHSMUMA-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC(C)(F)C1 ZINC000449378473 384082771 /nfs/dbraw/zinc/08/27/71/384082771.db2.gz WVPXMNFLGNWCQV-IDKOKCKLSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CC(C)(F)C1 ZINC000449378474 384081143 /nfs/dbraw/zinc/08/11/43/384081143.db2.gz WVPXMNFLGNWCQV-XNWIYYODSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)C1CCSCC1 ZINC000449378514 388187569 /nfs/dbraw/zinc/18/75/69/388187569.db2.gz XFXFYJAFDDANSG-GFCCVEGCSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)C1CCSCC1 ZINC000449378515 388187624 /nfs/dbraw/zinc/18/76/24/388187624.db2.gz XFXFYJAFDDANSG-LBPRGKRZSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]C(CF)CF ZINC000449378723 388188384 /nfs/dbraw/zinc/18/83/84/388188384.db2.gz FTPTYEICUAETGX-LLVKDONJSA-N 1 0 233.346 3.633 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]C(CF)CF ZINC000449378724 388187856 /nfs/dbraw/zinc/18/78/56/388187856.db2.gz FTPTYEICUAETGX-NSHDSACASA-N 1 0 233.346 3.633 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449379094 200669389 /nfs/dbraw/zinc/66/93/89/200669389.db2.gz ZCKOLYZBERYKJW-HIFPTAJRSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449379096 384078241 /nfs/dbraw/zinc/07/82/41/384078241.db2.gz ZCKOLYZBERYKJW-PNESKVBLSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C(CF)CF ZINC000449379556 388188135 /nfs/dbraw/zinc/18/81/35/388188135.db2.gz JDTJJVLUPKSEFF-GFCCVEGCSA-N 1 0 233.346 3.656 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C(CF)CF ZINC000449379557 388188053 /nfs/dbraw/zinc/18/80/53/388188053.db2.gz JDTJJVLUPKSEFF-LBPRGKRZSA-N 1 0 233.346 3.656 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccccc1)OC ZINC000449380265 388188604 /nfs/dbraw/zinc/18/86/04/388188604.db2.gz VTYOSNGVJJXGOA-IIAWOOMASA-N 1 0 249.398 3.583 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccccc1)OC ZINC000449380266 388189138 /nfs/dbraw/zinc/18/91/38/388189138.db2.gz VTYOSNGVJJXGOA-IJEWVQPXSA-N 1 0 249.398 3.583 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccccc1)OC ZINC000449380267 201893507 /nfs/dbraw/zinc/89/35/07/201893507.db2.gz VTYOSNGVJJXGOA-OFQRWUPVSA-N 1 0 249.398 3.583 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)[C@H](C)c1ccccc1)OC ZINC000449380268 388189127 /nfs/dbraw/zinc/18/91/27/388189127.db2.gz VTYOSNGVJJXGOA-SQWLQELKSA-N 1 0 249.398 3.583 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000449380310 398295769 /nfs/dbraw/zinc/29/57/69/398295769.db2.gz WASYOTRENJXOFM-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000449380311 398295965 /nfs/dbraw/zinc/29/59/65/398295965.db2.gz WASYOTRENJXOFM-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000449380312 201894324 /nfs/dbraw/zinc/89/43/24/201894324.db2.gz WASYOTRENJXOFM-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000449380313 201894096 /nfs/dbraw/zinc/89/40/96/201894096.db2.gz WASYOTRENJXOFM-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO CCC1CC([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000449381645 388189047 /nfs/dbraw/zinc/18/90/47/388189047.db2.gz ZBWNXLSBESTGAT-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1CC([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000449381646 201896649 /nfs/dbraw/zinc/89/66/49/201896649.db2.gz ZBWNXLSBESTGAT-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO F[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449384122 388190186 /nfs/dbraw/zinc/19/01/86/388190186.db2.gz ABSTXYOVFYPOCZ-SECBINFHSA-N 1 0 248.128 3.537 20 0 BHADRO F[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000449384133 388189968 /nfs/dbraw/zinc/18/99/68/388189968.db2.gz ABSTXYOVFYPOCZ-VIFPVBQESA-N 1 0 248.128 3.537 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000449391621 201901506 /nfs/dbraw/zinc/90/15/06/201901506.db2.gz FXCCVRUPPLBJQT-AWEZNQCLSA-N 1 0 248.414 3.918 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000449391622 388191765 /nfs/dbraw/zinc/19/17/65/388191765.db2.gz FXCCVRUPPLBJQT-CQSZACIVSA-N 1 0 248.414 3.918 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccccn1)C1CCC1 ZINC000449392071 206096144 /nfs/dbraw/zinc/09/61/44/206096144.db2.gz HISBMJPFRWSKQW-AWEZNQCLSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)C1CCC1 ZINC000449392072 201903008 /nfs/dbraw/zinc/90/30/08/201903008.db2.gz HISBMJPFRWSKQW-CQSZACIVSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393029 388192658 /nfs/dbraw/zinc/19/26/58/388192658.db2.gz LOVSUAUAIGANGS-CYBMUJFWSA-N 1 0 248.414 3.774 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393030 388193597 /nfs/dbraw/zinc/19/35/97/388193597.db2.gz LOVSUAUAIGANGS-ZDUSSCGKSA-N 1 0 248.414 3.774 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393061 388193326 /nfs/dbraw/zinc/19/33/26/388193326.db2.gz LUDHWBSUOOYCEY-AWEZNQCLSA-N 1 0 248.414 3.774 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393062 388193491 /nfs/dbraw/zinc/19/34/91/388193491.db2.gz LUDHWBSUOOYCEY-CQSZACIVSA-N 1 0 248.414 3.774 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC(C)(C)c1ccccn1 ZINC000449393612 388192933 /nfs/dbraw/zinc/19/29/33/388192933.db2.gz NYMMZAZCPZWHEP-AWEZNQCLSA-N 1 0 248.414 3.631 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC(C)(C)c1ccccn1 ZINC000449393613 388193493 /nfs/dbraw/zinc/19/34/93/388193493.db2.gz NYMMZAZCPZWHEP-CQSZACIVSA-N 1 0 248.414 3.631 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC1(C)C)c1ccccn1 ZINC000449394300 384165797 /nfs/dbraw/zinc/16/57/97/384165797.db2.gz FTBZEIMJPOMKKU-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC1(C)C)c1ccccn1 ZINC000449394305 200672474 /nfs/dbraw/zinc/67/24/74/200672474.db2.gz FTBZEIMJPOMKKU-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC000449396303 388194140 /nfs/dbraw/zinc/19/41/40/388194140.db2.gz YAANIIQGCALFNU-CVEARBPZSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC000449396304 388194486 /nfs/dbraw/zinc/19/44/86/388194486.db2.gz YAANIIQGCALFNU-HOTGVXAUSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2CCC[C@@H]2C[NH2+]CC2CC2)cc1 ZINC000449396305 388194810 /nfs/dbraw/zinc/19/48/10/388194810.db2.gz YAANIIQGCALFNU-HZPDHXFCSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2CCC[C@H]2C[NH2+]CC2CC2)cc1 ZINC000449396306 200670712 /nfs/dbraw/zinc/67/07/12/200670712.db2.gz YAANIIQGCALFNU-JKSUJKDBSA-N 1 0 229.367 3.570 20 0 BHADRO CCCC(CCC)[NH2+]CC(C)(C)c1ccccn1 ZINC000449398560 388194757 /nfs/dbraw/zinc/19/47/57/388194757.db2.gz VLYZFWHEOQHKSM-UHFFFAOYSA-N 1 0 248.414 3.918 20 0 BHADRO CC(C)(C[NH2+]CC1CCCCC1)c1ccccn1 ZINC000449399346 388194101 /nfs/dbraw/zinc/19/41/01/388194101.db2.gz ZYZOXBXUZRPQBP-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449400926 388195071 /nfs/dbraw/zinc/19/50/71/388195071.db2.gz DZVNNUSAZAZCAE-CYBMUJFWSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449400927 388195651 /nfs/dbraw/zinc/19/56/51/388195651.db2.gz DZVNNUSAZAZCAE-ZDUSSCGKSA-N 1 0 232.371 3.615 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449401658 388195617 /nfs/dbraw/zinc/19/56/17/388195617.db2.gz HYKRPDHRCRVGCX-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449401659 388195577 /nfs/dbraw/zinc/19/55/77/388195577.db2.gz HYKRPDHRCRVGCX-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449401660 388195087 /nfs/dbraw/zinc/19/50/87/388195087.db2.gz HYKRPDHRCRVGCX-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449401661 388195538 /nfs/dbraw/zinc/19/55/38/388195538.db2.gz HYKRPDHRCRVGCX-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCCC(C)C)ccn1 ZINC000449402311 388195562 /nfs/dbraw/zinc/19/55/62/388195562.db2.gz LAKOMSZUOQFNRR-CYBMUJFWSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCCC(C)C)ccn1 ZINC000449402312 388195470 /nfs/dbraw/zinc/19/54/70/388195470.db2.gz LAKOMSZUOQFNRR-ZDUSSCGKSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCC2CCCC2)ccn1 ZINC000449402348 200674412 /nfs/dbraw/zinc/67/44/12/200674412.db2.gz LITJEXBPKRBOBA-CYBMUJFWSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCC2CCCC2)ccn1 ZINC000449402349 200674376 /nfs/dbraw/zinc/67/43/76/200674376.db2.gz LITJEXBPKRBOBA-ZDUSSCGKSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CC1=CCOCC1 ZINC000449402911 398294827 /nfs/dbraw/zinc/29/48/27/398294827.db2.gz NTMZYLXOXSOLDJ-AWEZNQCLSA-N 1 0 239.403 3.529 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CC1=CCOCC1 ZINC000449402912 398294824 /nfs/dbraw/zinc/29/48/24/398294824.db2.gz NTMZYLXOXSOLDJ-CQSZACIVSA-N 1 0 239.403 3.529 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)ccn1 ZINC000449404270 201908038 /nfs/dbraw/zinc/90/80/38/201908038.db2.gz UERGXPLLYXQPES-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)ccn1 ZINC000449404271 201906008 /nfs/dbraw/zinc/90/60/08/201906008.db2.gz UERGXPLLYXQPES-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)ccn1 ZINC000449404272 388195091 /nfs/dbraw/zinc/19/50/91/388195091.db2.gz UERGXPLLYXQPES-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)ccn1 ZINC000449404273 388195703 /nfs/dbraw/zinc/19/57/03/388195703.db2.gz UERGXPLLYXQPES-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CCC1([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000449411151 384294241 /nfs/dbraw/zinc/29/42/41/384294241.db2.gz AAMFPHVVFPDQDK-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO CCC1([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000449411152 200675778 /nfs/dbraw/zinc/67/57/78/200675778.db2.gz AATFQXJUQMSAOX-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000449412092 201908948 /nfs/dbraw/zinc/90/89/48/201908948.db2.gz DRKKHOBEBYUWQB-ARJAWSKDSA-N 1 0 237.293 3.510 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000449412094 388198180 /nfs/dbraw/zinc/19/81/80/388198180.db2.gz DRKKHOBEBYUWQB-ONEGZZNKSA-N 1 0 237.293 3.510 20 0 BHADRO CCC1([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000449412179 388198252 /nfs/dbraw/zinc/19/82/52/388198252.db2.gz FBDCIXKJANNOJR-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCC1([NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000449412206 388198102 /nfs/dbraw/zinc/19/81/02/388198102.db2.gz FFXAQZOJNCSLOA-ACCUITESSA-N 1 0 215.340 3.622 20 0 BHADRO CCC1([NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000449412207 384295655 /nfs/dbraw/zinc/29/56/55/384295655.db2.gz FFXAQZOJNCSLOA-QBFSEMIESA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C(C)(F)F)c1ccccc1 ZINC000449412246 388198497 /nfs/dbraw/zinc/19/84/97/388198497.db2.gz FJLLVZOUCCRAJS-NEPJUHHUSA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000449412247 384295772 /nfs/dbraw/zinc/29/57/72/384295772.db2.gz FJLLVZOUCCRAJS-NWDGAFQWSA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000449412248 384296072 /nfs/dbraw/zinc/29/60/72/384296072.db2.gz FJLLVZOUCCRAJS-RYUDHWBXSA-N 1 0 241.325 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C(C)(F)F)c1ccccc1 ZINC000449412249 384294412 /nfs/dbraw/zinc/29/44/12/384294412.db2.gz FJLLVZOUCCRAJS-VXGBXAGGSA-N 1 0 241.325 3.814 20 0 BHADRO CCC1([NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC000449412699 384297505 /nfs/dbraw/zinc/29/75/05/384297505.db2.gz GHMUMARDTULEKA-UHFFFAOYSA-N 1 0 240.350 3.575 20 0 BHADRO CCC1([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000449413069 388198502 /nfs/dbraw/zinc/19/85/02/388198502.db2.gz HOTRSGVWTQVWLT-UHFFFAOYSA-N 1 0 231.364 3.934 20 0 BHADRO CCC1([NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000449413147 388198095 /nfs/dbraw/zinc/19/80/95/388198095.db2.gz HYELUMVUMOMEJD-UHFFFAOYSA-N 1 0 246.379 3.637 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000449413400 201909818 /nfs/dbraw/zinc/90/98/18/201909818.db2.gz IKRNJHXMYQIBIM-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000449413401 201908716 /nfs/dbraw/zinc/90/87/16/201908716.db2.gz IKRNJHXMYQIBIM-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)C(C)(F)F ZINC000449414230 388199108 /nfs/dbraw/zinc/19/91/08/388199108.db2.gz LPOYEWWQFDCTJM-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)C(C)(F)F ZINC000449414231 388198736 /nfs/dbraw/zinc/19/87/36/388198736.db2.gz LPOYEWWQFDCTJM-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(C)(F)F ZINC000449414232 388199131 /nfs/dbraw/zinc/19/91/31/388199131.db2.gz LPOYEWWQFDCTJM-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)C(C)(F)F ZINC000449414233 388199272 /nfs/dbraw/zinc/19/92/72/388199272.db2.gz LPOYEWWQFDCTJM-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449414234 388199277 /nfs/dbraw/zinc/19/92/77/388199277.db2.gz LQZVBCGLOJZROI-GHMZBOCLSA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449414235 388199010 /nfs/dbraw/zinc/19/90/10/388199010.db2.gz LQZVBCGLOJZROI-MNOVXSKESA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449414236 388199298 /nfs/dbraw/zinc/19/92/98/388199298.db2.gz LQZVBCGLOJZROI-QWRGUYRKSA-N 1 0 219.319 3.755 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449414237 388199147 /nfs/dbraw/zinc/19/91/47/388199147.db2.gz LQZVBCGLOJZROI-WDEREUQCSA-N 1 0 219.319 3.755 20 0 BHADRO CCC1([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449414807 388199231 /nfs/dbraw/zinc/19/92/31/388199231.db2.gz NDGHFGRYZZBKCT-JTQLQIEISA-N 1 0 239.309 3.601 20 0 BHADRO CCC1([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449414809 388198915 /nfs/dbraw/zinc/19/89/15/388198915.db2.gz NDGHFGRYZZBKCT-SNVBAGLBSA-N 1 0 239.309 3.601 20 0 BHADRO CCC1([NH2+]CCCCCOc2ccccc2)CC1 ZINC000449414966 201911051 /nfs/dbraw/zinc/91/10/51/201911051.db2.gz NLXSFMFVLSNVIM-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CCC1([NH2+]Cc2ccc(SC)s2)CC1 ZINC000449415578 388199170 /nfs/dbraw/zinc/19/91/70/388199170.db2.gz POJOLNGEFYOPDY-UHFFFAOYSA-N 1 0 227.398 3.502 20 0 BHADRO CCC1([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000449416125 388198969 /nfs/dbraw/zinc/19/89/69/388198969.db2.gz SDVWNGFTHUHCRU-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCC1([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000449416445 388198953 /nfs/dbraw/zinc/19/89/53/388198953.db2.gz TWTMBEDKQIPKLY-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000449416898 201911853 /nfs/dbraw/zinc/91/18/53/201911853.db2.gz WBJUEVOBDBUOTB-ARJAWSKDSA-N 1 0 237.293 3.510 20 0 BHADRO CCC1([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000449416901 384300244 /nfs/dbraw/zinc/30/02/44/384300244.db2.gz WCAWCAIKBPFHOF-UHFFFAOYSA-N 1 0 241.737 3.554 20 0 BHADRO CCC1([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000449416918 388199675 /nfs/dbraw/zinc/19/96/75/388199675.db2.gz WHRPNMXJWBVVAF-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CCSc1cccc(C[NH2+]C2(CC)CC2)c1 ZINC000449416927 388200171 /nfs/dbraw/zinc/20/01/71/388200171.db2.gz WLIWUGKWOZCMIZ-UHFFFAOYSA-N 1 0 235.396 3.831 20 0 BHADRO CC[C@H](C[NH2+]C1(CC)CC1)c1ccccc1 ZINC000449417506 388199684 /nfs/dbraw/zinc/19/96/84/388199684.db2.gz YNOLLYRSZGJEGE-CYBMUJFWSA-N 1 0 217.356 3.712 20 0 BHADRO CC[C@@H](C[NH2+]C1(CC)CC1)c1ccccc1 ZINC000449417507 388199773 /nfs/dbraw/zinc/19/97/73/388199773.db2.gz YNOLLYRSZGJEGE-ZDUSSCGKSA-N 1 0 217.356 3.712 20 0 BHADRO CCC1([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000449417795 384305079 /nfs/dbraw/zinc/30/50/79/384305079.db2.gz ZQIOSRZSBWPURU-UHFFFAOYSA-N 1 0 233.286 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(C)(F)F ZINC000449417817 388199998 /nfs/dbraw/zinc/19/99/98/388199998.db2.gz ZWLQKRSZRKRTET-GRYCIOLGSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(C)(F)F ZINC000449417818 388199826 /nfs/dbraw/zinc/19/98/26/388199826.db2.gz ZWLQKRSZRKRTET-SDDRHHMPSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449417819 388199744 /nfs/dbraw/zinc/19/97/44/388199744.db2.gz ZWLQKRSZRKRTET-SRVKXCTJSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C(C)(F)F)[C@@H](C)c1ccccc1 ZINC000449417820 388200169 /nfs/dbraw/zinc/20/01/69/388200169.db2.gz ZWLQKRSZRKRTET-WOPDTQHZSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H]1C ZINC000449421541 201915215 /nfs/dbraw/zinc/91/52/15/201915215.db2.gz BAOIJCLSXIZTDC-GGUBGCTKSA-N 1 0 245.366 3.533 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CCC(CSC)CC1 ZINC000449421611 388201044 /nfs/dbraw/zinc/20/10/44/388201044.db2.gz JEKSBRAVVGCHDS-FKZOYECMSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CCC(CSC)CC1 ZINC000449421612 388200626 /nfs/dbraw/zinc/20/06/26/388200626.db2.gz JEKSBRAVVGCHDS-GNRIBBGQSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCC(CSC)CC1 ZINC000449421613 201913650 /nfs/dbraw/zinc/91/36/50/201913650.db2.gz JEKSBRAVVGCHDS-HHTDUIENSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CCC(CSC)CC1 ZINC000449421614 388200791 /nfs/dbraw/zinc/20/07/91/388200791.db2.gz JEKSBRAVVGCHDS-YIOUJQMASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H]1C ZINC000449421674 201914165 /nfs/dbraw/zinc/91/41/65/201914165.db2.gz BAOIJCLSXIZTDC-MYYUVRNCSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H]1C ZINC000449421676 388200794 /nfs/dbraw/zinc/20/07/94/388200794.db2.gz BAOIJCLSXIZTDC-RKEKIRQTSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H]1C ZINC000449421678 201913686 /nfs/dbraw/zinc/91/36/86/201913686.db2.gz BAOIJCLSXIZTDC-URFZWBKFSA-N 1 0 245.366 3.533 20 0 BHADRO CCC(CC)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449421801 388200506 /nfs/dbraw/zinc/20/05/06/388200506.db2.gz BOJZEAOVHZMWSB-BXUZGUMPSA-N 1 0 233.355 3.677 20 0 BHADRO CCC1([NH2+]CCCc2ccc(C)nc2)CCCC1 ZINC000449422097 384316904 /nfs/dbraw/zinc/31/69/04/384316904.db2.gz CJKSDHZGPZMRQI-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1CCC1 ZINC000449422342 388200601 /nfs/dbraw/zinc/20/06/01/388200601.db2.gz CYKYCJCAAWZKKM-LALPHHSUSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1CCC1 ZINC000449422343 388200362 /nfs/dbraw/zinc/20/03/62/388200362.db2.gz CYKYCJCAAWZKKM-TYNCELHUSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)c2ccccc2O1 ZINC000449422463 384316386 /nfs/dbraw/zinc/31/63/86/384316386.db2.gz DICTWYGUGJYYFN-IUODEOHRSA-N 1 0 245.366 3.821 20 0 BHADRO CCC1CC([NH2+]C2CCC(CSC)CC2)C1 ZINC000449422545 201915400 /nfs/dbraw/zinc/91/54/00/201915400.db2.gz LKWGFRLCTWVOQK-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CCC1([NH2+]Cc2cn(C(C)C)nc2C)CCCC1 ZINC000449422721 388200917 /nfs/dbraw/zinc/20/09/17/388200917.db2.gz FBERUMJXYNZJMI-UHFFFAOYSA-N 1 0 249.402 3.585 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)c2ccccc2O1 ZINC000449422732 398298496 /nfs/dbraw/zinc/29/84/96/398298496.db2.gz FFERFIOKBRJYOJ-TZMCWYRMSA-N 1 0 245.366 3.679 20 0 BHADRO c1sc2ccccc2c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449423959 384319686 /nfs/dbraw/zinc/31/96/86/384319686.db2.gz IOJIHMQBEAZIDT-AWEZNQCLSA-N 1 0 243.375 3.886 20 0 BHADRO c1sc2ccccc2c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449423960 384319758 /nfs/dbraw/zinc/31/97/58/384319758.db2.gz IOJIHMQBEAZIDT-CQSZACIVSA-N 1 0 243.375 3.886 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449423994 384319785 /nfs/dbraw/zinc/31/97/85/384319785.db2.gz IXAIPBSHRMXKSA-LALPHHSUSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449423995 200677925 /nfs/dbraw/zinc/67/79/25/200677925.db2.gz IXAIPBSHRMXKSA-YWPYICTPSA-N 1 0 245.366 3.677 20 0 BHADRO c1c2ccccc2sc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449425094 388201488 /nfs/dbraw/zinc/20/14/88/388201488.db2.gz GUUVESMARBLFQT-AWEZNQCLSA-N 1 0 243.375 3.886 20 0 BHADRO c1c2ccccc2sc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449425096 388201649 /nfs/dbraw/zinc/20/16/49/388201649.db2.gz GUUVESMARBLFQT-CQSZACIVSA-N 1 0 243.375 3.886 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449425942 206098253 /nfs/dbraw/zinc/09/82/53/206098253.db2.gz NRXRTRUQOKHHAT-AYRXBEOTSA-N 1 0 245.366 3.677 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449425945 206098236 /nfs/dbraw/zinc/09/82/36/206098236.db2.gz NRXRTRUQOKHHAT-PAPYEOQZSA-N 1 0 245.366 3.677 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449425947 206098702 /nfs/dbraw/zinc/09/87/02/206098702.db2.gz NRXRTRUQOKHHAT-QHSBEEBCSA-N 1 0 245.366 3.677 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449425949 206098675 /nfs/dbraw/zinc/09/86/75/206098675.db2.gz NRXRTRUQOKHHAT-RJZRQDKASA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449426346 206097432 /nfs/dbraw/zinc/09/74/32/206097432.db2.gz OTCJNQQWAKJIPQ-MBNYWOFBSA-N 1 0 233.355 3.533 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449426347 206097637 /nfs/dbraw/zinc/09/76/37/206097637.db2.gz OTCJNQQWAKJIPQ-YRGRVCCFSA-N 1 0 233.355 3.533 20 0 BHADRO CCC1CC([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449426375 206098104 /nfs/dbraw/zinc/09/81/04/206098104.db2.gz PAWURGKFEXCUOL-XZNOPERXSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)c2ccccc2O1 ZINC000449426398 206097882 /nfs/dbraw/zinc/09/78/82/206097882.db2.gz PJYQQKTZYUHGKP-BXUZGUMPSA-N 1 0 245.366 3.677 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449427252 388202263 /nfs/dbraw/zinc/20/22/63/388202263.db2.gz RDSDQNLMUZDEBT-OUCADQQQSA-N 1 0 233.355 3.677 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449427253 388201454 /nfs/dbraw/zinc/20/14/54/388201454.db2.gz RDSDQNLMUZDEBT-YRGRVCCFSA-N 1 0 233.355 3.677 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)c2ccccc2O1 ZINC000449427306 201917682 /nfs/dbraw/zinc/91/76/82/201917682.db2.gz RPJBSWCXYNNSFE-DGCLKSJQSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449428051 388202946 /nfs/dbraw/zinc/20/29/46/388202946.db2.gz QCGQHANLHOPXAT-HNNXBMFYSA-N 1 0 241.334 3.726 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449428052 388203282 /nfs/dbraw/zinc/20/32/82/388203282.db2.gz QCGQHANLHOPXAT-OAHLLOKOSA-N 1 0 241.334 3.726 20 0 BHADRO CCC1([NH2+]Cc2cc3cccnc3o2)CCCC1 ZINC000449428204 201917886 /nfs/dbraw/zinc/91/78/86/201917886.db2.gz UTRGIQHJXGNZLO-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449428587 388203225 /nfs/dbraw/zinc/20/32/25/388203225.db2.gz VLAZDYXJJMRQSR-GUIRCDHDSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449428588 388203260 /nfs/dbraw/zinc/20/32/60/388203260.db2.gz VLAZDYXJJMRQSR-KYEXWDHISA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449428589 384383254 /nfs/dbraw/zinc/38/32/54/384383254.db2.gz VLAZDYXJJMRQSR-RGCMKSIDSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449428590 384383374 /nfs/dbraw/zinc/38/33/74/384383374.db2.gz VLAZDYXJJMRQSR-SFDCQRBFSA-N 1 0 245.366 3.677 20 0 BHADRO CCC1([NH2+]Cc2sccc2OC)CCCC1 ZINC000449428607 201916060 /nfs/dbraw/zinc/91/60/60/201916060.db2.gz VQFFSAINYOSTGL-UHFFFAOYSA-N 1 0 239.384 3.569 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000449428643 388203216 /nfs/dbraw/zinc/20/32/16/388203216.db2.gz AAKCQKKJEOQIDS-DLOVCJGASA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000449428644 201918485 /nfs/dbraw/zinc/91/84/85/201918485.db2.gz AAKCQKKJEOQIDS-USWWRNFRSA-N 1 0 249.320 3.886 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]1C1CC1 ZINC000449429056 388203190 /nfs/dbraw/zinc/20/31/90/388203190.db2.gz WFVJLFCLJHNLQD-BYIUCRAPSA-N 1 0 227.351 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449429057 388203253 /nfs/dbraw/zinc/20/32/53/388203253.db2.gz WFVJLFCLJHNLQD-DVFVSVACSA-N 1 0 227.351 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H]1C1CC1 ZINC000449429058 201918462 /nfs/dbraw/zinc/91/84/62/201918462.db2.gz WFVJLFCLJHNLQD-KVNDZABWSA-N 1 0 227.351 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449429059 384388614 /nfs/dbraw/zinc/38/86/14/384388614.db2.gz WFVJLFCLJHNLQD-SICOMBFOSA-N 1 0 227.351 3.574 20 0 BHADRO CC[C@H]1C[C@@H](C[NH2+]C2(CC)CCCC2)CCO1 ZINC000449429077 384386906 /nfs/dbraw/zinc/38/69/06/384386906.db2.gz WLXNTSRUTZQFHR-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H](C[NH2+]C2(CC)CCCC2)CCO1 ZINC000449429078 384387918 /nfs/dbraw/zinc/38/79/18/384387918.db2.gz WLXNTSRUTZQFHR-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+]C2(CC)CCCC2)CCO1 ZINC000449429079 529425902 /nfs/dbraw/zinc/42/59/02/529425902.db2.gz WLXNTSRUTZQFHR-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+]C2(CC)CCCC2)CCO1 ZINC000449429080 384386709 /nfs/dbraw/zinc/38/67/09/384386709.db2.gz WLXNTSRUTZQFHR-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449429133 388203992 /nfs/dbraw/zinc/20/39/92/388203992.db2.gz WVLBZSBDXKDGHG-CTHBEMJXSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449429134 388204000 /nfs/dbraw/zinc/20/40/00/388204000.db2.gz WVLBZSBDXKDGHG-MYZSUADSSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449429135 388203414 /nfs/dbraw/zinc/20/34/14/388203414.db2.gz WVLBZSBDXKDGHG-QHSBEEBCSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449429136 388203606 /nfs/dbraw/zinc/20/36/06/388203606.db2.gz WVLBZSBDXKDGHG-RJZRQDKASA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449429679 388203787 /nfs/dbraw/zinc/20/37/87/388203787.db2.gz BBDSJSYTVSCBJV-BJDJZHNGSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449429680 388203755 /nfs/dbraw/zinc/20/37/55/388203755.db2.gz BBDSJSYTVSCBJV-KXNHARMFSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449429681 388204190 /nfs/dbraw/zinc/20/41/90/388204190.db2.gz BBDSJSYTVSCBJV-RHYQMDGZSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449429682 388203584 /nfs/dbraw/zinc/20/35/84/388203584.db2.gz BBDSJSYTVSCBJV-YFKTTZPYSA-N 1 0 249.320 3.743 20 0 BHADRO Fc1ccc2oc(C[N@@H+]3CC[C@H]3C3CC3)cc2c1 ZINC000449430158 388203989 /nfs/dbraw/zinc/20/39/89/388203989.db2.gz WVKWZIYNWPNRKE-AWEZNQCLSA-N 1 0 245.297 3.556 20 0 BHADRO Fc1ccc2oc(C[N@@H+]3CC[C@@H]3C3CC3)cc2c1 ZINC000449430159 384397658 /nfs/dbraw/zinc/39/76/58/384397658.db2.gz WVKWZIYNWPNRKE-CQSZACIVSA-N 1 0 245.297 3.556 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449430427 388203806 /nfs/dbraw/zinc/20/38/06/388203806.db2.gz ZQUHRUJLMBGRCF-OUCADQQQSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449430428 384394996 /nfs/dbraw/zinc/39/49/96/384394996.db2.gz ZQUHRUJLMBGRCF-YRGRVCCFSA-N 1 0 233.355 3.534 20 0 BHADRO CCC1([NH2+]CCCC2CCOCC2)CCCC1 ZINC000449430430 384396145 /nfs/dbraw/zinc/39/61/45/384396145.db2.gz ZRWILKQMBAENKS-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)CCn1cccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449430554 388204182 /nfs/dbraw/zinc/20/41/82/388204182.db2.gz XXVUQPHFDKLHQR-INIZCTEOSA-N 1 0 246.398 3.519 20 0 BHADRO CC(C)CCn1cccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449430555 388203609 /nfs/dbraw/zinc/20/36/09/388203609.db2.gz XXVUQPHFDKLHQR-MRXNPFEDSA-N 1 0 246.398 3.519 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000449430587 201919440 /nfs/dbraw/zinc/91/94/40/201919440.db2.gz BZNFPOZBPFBINY-BFHYXJOUSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000449430588 388203993 /nfs/dbraw/zinc/20/39/93/388203993.db2.gz BZNFPOZBPFBINY-MCIONIFRSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000449430589 388203411 /nfs/dbraw/zinc/20/34/11/388203411.db2.gz BZNFPOZBPFBINY-MGPQQGTHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000449430590 201920812 /nfs/dbraw/zinc/92/08/12/201920812.db2.gz BZNFPOZBPFBINY-MJBXVCDLSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCCC[C@H]1C ZINC000449430653 384402075 /nfs/dbraw/zinc/40/20/75/384402075.db2.gz CELFUSUZZRTVQE-APIJFGDWSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCCC[C@H]1C ZINC000449430655 384402983 /nfs/dbraw/zinc/40/29/83/384402983.db2.gz CELFUSUZZRTVQE-KBXIAJHMSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCCC[C@@H]1C ZINC000449430657 384402739 /nfs/dbraw/zinc/40/27/39/384402739.db2.gz CELFUSUZZRTVQE-LJISPDSOSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCCC[C@@H]1C ZINC000449430663 384402648 /nfs/dbraw/zinc/40/26/48/384402648.db2.gz CELFUSUZZRTVQE-XGUBFFRZSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1cncs1 ZINC000449430961 388204756 /nfs/dbraw/zinc/20/47/56/388204756.db2.gz CQHBFZYRSSIEMS-CYBMUJFWSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1cncs1 ZINC000449430963 388204449 /nfs/dbraw/zinc/20/44/49/388204449.db2.gz CQHBFZYRSSIEMS-ZDUSSCGKSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449431200 388204872 /nfs/dbraw/zinc/20/48/72/388204872.db2.gz CZVAMIDTQDFXFQ-QWRGUYRKSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000449432854 388204661 /nfs/dbraw/zinc/20/46/61/388204661.db2.gz JNTSPXPBHLGHSV-FZZYSBJUSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000449432855 388204749 /nfs/dbraw/zinc/20/47/49/388204749.db2.gz JNTSPXPBHLGHSV-KSLSASGISA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000449432856 201919125 /nfs/dbraw/zinc/91/91/25/201919125.db2.gz JNTSPXPBHLGHSV-MSNYOWOLSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000449432857 388204831 /nfs/dbraw/zinc/20/48/31/388204831.db2.gz JNTSPXPBHLGHSV-SGFLJFKBSA-N 1 0 244.382 3.511 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000449433232 388205656 /nfs/dbraw/zinc/20/56/56/388205656.db2.gz LHLIDMJGLXOXNP-KKUMJFAQSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000449433233 388205608 /nfs/dbraw/zinc/20/56/08/388205608.db2.gz LHLIDMJGLXOXNP-RRFJBIMHSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000449433234 388205889 /nfs/dbraw/zinc/20/58/89/388205889.db2.gz LHLIDMJGLXOXNP-SOUVJXGZSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)CCCCO ZINC000449433235 201919339 /nfs/dbraw/zinc/91/93/39/201919339.db2.gz LHLIDMJGLXOXNP-ZNMIVQPWSA-N 1 0 243.435 3.588 20 0 BHADRO CC1CC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000449433676 388205581 /nfs/dbraw/zinc/20/55/81/388205581.db2.gz NIEZHCFDLCJNPF-ADPBJBESSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1nccs1 ZINC000449433786 384459075 /nfs/dbraw/zinc/45/90/75/384459075.db2.gz NVKQFFFHJYWBMQ-CYBMUJFWSA-N 1 0 238.400 3.544 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1nccs1 ZINC000449433787 384460278 /nfs/dbraw/zinc/46/02/78/384460278.db2.gz NVKQFFFHJYWBMQ-ZDUSSCGKSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449434230 388205488 /nfs/dbraw/zinc/20/54/88/388205488.db2.gz PZBWYJYZYLJWSB-KFWWJZLASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449434231 388205788 /nfs/dbraw/zinc/20/57/88/388205788.db2.gz PZBWYJYZYLJWSB-RBSFLKMASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449434232 388205636 /nfs/dbraw/zinc/20/56/36/388205636.db2.gz PZBWYJYZYLJWSB-RRFJBIMHSA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449434233 384462451 /nfs/dbraw/zinc/46/24/51/384462451.db2.gz PZBWYJYZYLJWSB-ZNMIVQPWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449435046 388205698 /nfs/dbraw/zinc/20/56/98/388205698.db2.gz UPEWNMKNGIXMJK-FMKPAKJESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449435047 388205640 /nfs/dbraw/zinc/20/56/40/388205640.db2.gz UPEWNMKNGIXMJK-IIAWOOMASA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449435048 201923170 /nfs/dbraw/zinc/92/31/70/201923170.db2.gz UPEWNMKNGIXMJK-LZWOXQAQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449435049 388205754 /nfs/dbraw/zinc/20/57/54/388205754.db2.gz UPEWNMKNGIXMJK-SQWLQELKSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000449437294 388206390 /nfs/dbraw/zinc/20/63/90/388206390.db2.gz YTCTYERODIIODG-KBPBESRZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H]1CCSC1 ZINC000449437296 388206481 /nfs/dbraw/zinc/20/64/81/388206481.db2.gz YTCTYERODIIODG-KGLIPLIRSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000449437297 388206439 /nfs/dbraw/zinc/20/64/39/388206439.db2.gz YTCTYERODIIODG-UONOGXRCSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H]1CCSC1 ZINC000449437298 388206368 /nfs/dbraw/zinc/20/63/68/388206368.db2.gz YTCTYERODIIODG-ZIAGYGMSSA-N 1 0 241.444 3.640 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@H](C)C3CC3)cc2c1C ZINC000449438159 388206232 /nfs/dbraw/zinc/20/62/32/388206232.db2.gz BCBSQTUCJZMHPN-GFCCVEGCSA-N 1 0 242.366 3.673 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000449438378 388206268 /nfs/dbraw/zinc/20/62/68/388206268.db2.gz BUOBJMGJNKZHND-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000449438384 388206453 /nfs/dbraw/zinc/20/64/53/388206453.db2.gz BUOBJMGJNKZHND-KCXAZCMYSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000449438386 388206226 /nfs/dbraw/zinc/20/62/26/388206226.db2.gz BUOBJMGJNKZHND-UHOFOFEASA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000449438387 384495416 /nfs/dbraw/zinc/49/54/16/384495416.db2.gz BUOBJMGJNKZHND-WQVCFCJDSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449438484 388206477 /nfs/dbraw/zinc/20/64/77/388206477.db2.gz CPMODXNDQYAQQQ-OJDYBEQGSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449438485 201924830 /nfs/dbraw/zinc/92/48/30/201924830.db2.gz CPMODXNDQYAQQQ-SHUKQUCYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449438486 388206362 /nfs/dbraw/zinc/20/63/62/388206362.db2.gz CPMODXNDQYAQQQ-UAXWRAGISA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449438487 388206327 /nfs/dbraw/zinc/20/63/27/388206327.db2.gz CPMODXNDQYAQQQ-VZAMPYOESA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000449438720 388206131 /nfs/dbraw/zinc/20/61/31/388206131.db2.gz CXNVQXPYCMDWCL-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C)C1CC1 ZINC000449438721 201923944 /nfs/dbraw/zinc/92/39/44/201923944.db2.gz CXNVQXPYCMDWCL-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@H](C)C3CC3)cc2c(C)c1 ZINC000449439359 388206144 /nfs/dbraw/zinc/20/61/44/388206144.db2.gz HZNVCNYCKAZKGC-GFCCVEGCSA-N 1 0 242.366 3.673 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000449439762 388206606 /nfs/dbraw/zinc/20/66/06/388206606.db2.gz JKFVUIYLEMJJCA-NWDGAFQWSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000449439764 201924128 /nfs/dbraw/zinc/92/41/28/201924128.db2.gz JKFVUIYLEMJJCA-VXGBXAGGSA-N 1 0 249.423 3.728 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC000449440468 388207159 /nfs/dbraw/zinc/20/71/59/388207159.db2.gz BTCFCEPKBKJUKH-CYBMUJFWSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccnc1C ZINC000449440469 201923538 /nfs/dbraw/zinc/92/35/38/201923538.db2.gz BTCFCEPKBKJUKH-ZDUSSCGKSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000449440790 388207021 /nfs/dbraw/zinc/20/70/21/388207021.db2.gz DFHREBQQENVHER-AWEZNQCLSA-N 1 0 232.371 3.615 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000449440791 388207074 /nfs/dbraw/zinc/20/70/74/388207074.db2.gz DFHREBQQENVHER-CQSZACIVSA-N 1 0 232.371 3.615 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C1CC1 ZINC000449440892 201925063 /nfs/dbraw/zinc/92/50/63/201925063.db2.gz NQQJTYJXRDUXRJ-RWMBFGLXSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)[C@H](C)c1ccccc1 ZINC000449440893 388207153 /nfs/dbraw/zinc/20/71/53/388207153.db2.gz NQQJTYJXRDUXRJ-YNEHKIRRSA-N 1 0 217.356 3.567 20 0 BHADRO CCCn1cc(C[NH2+][C@@H](C)CCC=C(C)C)cn1 ZINC000449440983 388207206 /nfs/dbraw/zinc/20/72/06/388207206.db2.gz DYCZMSWFQYLPGY-AWEZNQCLSA-N 1 0 249.402 3.518 20 0 BHADRO CCCn1cc(C[NH2+][C@H](C)CCC=C(C)C)cn1 ZINC000449440985 388206916 /nfs/dbraw/zinc/20/69/16/388206916.db2.gz DYCZMSWFQYLPGY-CQSZACIVSA-N 1 0 249.402 3.518 20 0 BHADRO COC1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000449441146 201924994 /nfs/dbraw/zinc/92/49/94/201924994.db2.gz FJCUJHCWZSBDHC-NFOMZHRRSA-N 1 0 239.403 3.669 20 0 BHADRO COC1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000449441147 201925070 /nfs/dbraw/zinc/92/50/70/201925070.db2.gz FJCUJHCWZSBDHC-WLYUNCDWSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000449441237 201924220 /nfs/dbraw/zinc/92/42/20/201924220.db2.gz PSZYUKKGKYDPRF-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000449441238 201924418 /nfs/dbraw/zinc/92/44/18/201924418.db2.gz PSZYUKKGKYDPRF-WQVCFCJDSA-N 1 0 229.367 3.711 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCC=C(C)C)cn1 ZINC000449441959 388207108 /nfs/dbraw/zinc/20/71/08/388207108.db2.gz JBGXEODPCAPQOX-AWEZNQCLSA-N 1 0 246.398 3.869 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCC=C(C)C)cn1 ZINC000449441960 201925073 /nfs/dbraw/zinc/92/50/73/201925073.db2.gz JBGXEODPCAPQOX-CQSZACIVSA-N 1 0 246.398 3.869 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CCC=C(C)C)CCO1 ZINC000449442107 388207187 /nfs/dbraw/zinc/20/71/87/388207187.db2.gz JMWADYUFAHLVCU-QLFBSQMISA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CCC=C(C)C)CCO1 ZINC000449442108 201924568 /nfs/dbraw/zinc/92/45/68/201924568.db2.gz JMWADYUFAHLVCU-RBSFLKMASA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CCC=C(C)C)CCO1 ZINC000449442109 388207089 /nfs/dbraw/zinc/20/70/89/388207089.db2.gz JMWADYUFAHLVCU-RRFJBIMHSA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC=C(C)C)CCO1 ZINC000449442110 388207267 /nfs/dbraw/zinc/20/72/67/388207267.db2.gz JMWADYUFAHLVCU-SOUVJXGZSA-N 1 0 239.403 3.669 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000449442194 200680658 /nfs/dbraw/zinc/68/06/58/200680658.db2.gz WMSLWIJBORRYRN-HFBAOOFYSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000449442195 384508796 /nfs/dbraw/zinc/50/87/96/384508796.db2.gz WMSLWIJBORRYRN-LYRGGWFBSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000449442196 384509658 /nfs/dbraw/zinc/50/96/58/384509658.db2.gz WMSLWIJBORRYRN-RLCCDNCMSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000449442198 384509820 /nfs/dbraw/zinc/50/98/20/384509820.db2.gz WMSLWIJBORRYRN-XFBWCDHKSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000449443007 388206956 /nfs/dbraw/zinc/20/69/56/388206956.db2.gz OQUHXARDZSEMQM-KBPBESRZSA-N 1 0 227.392 3.524 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000449443008 388207027 /nfs/dbraw/zinc/20/70/27/388207027.db2.gz OQUHXARDZSEMQM-KGLIPLIRSA-N 1 0 227.392 3.524 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000449443009 201925959 /nfs/dbraw/zinc/92/59/59/201925959.db2.gz OQUHXARDZSEMQM-UONOGXRCSA-N 1 0 227.392 3.524 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000449443010 201925885 /nfs/dbraw/zinc/92/58/85/201925885.db2.gz OQUHXARDZSEMQM-ZIAGYGMSSA-N 1 0 227.392 3.524 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000449444149 201926539 /nfs/dbraw/zinc/92/65/39/201926539.db2.gz YSKVCQDFDDHKCH-GTBONMDNSA-N 1 0 244.382 3.819 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000449444150 388207099 /nfs/dbraw/zinc/20/70/99/388207099.db2.gz YSKVCQDFDDHKCH-KKTNHOPESA-N 1 0 244.382 3.819 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000449444151 388207049 /nfs/dbraw/zinc/20/70/49/388207049.db2.gz YSKVCQDFDDHKCH-PXTSUWAFSA-N 1 0 244.382 3.819 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000449444152 388207002 /nfs/dbraw/zinc/20/70/02/388207002.db2.gz YSKVCQDFDDHKCH-SBJJXXPASA-N 1 0 244.382 3.819 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)C3CC3)cc2c1C ZINC000449444396 388207167 /nfs/dbraw/zinc/20/71/67/388207167.db2.gz BCBSQTUCJZMHPN-LBPRGKRZSA-N 1 0 242.366 3.673 20 0 BHADRO CS[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000449444482 388207560 /nfs/dbraw/zinc/20/75/60/388207560.db2.gz AUKFTHXMNOJJFC-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CS[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000449444483 388207837 /nfs/dbraw/zinc/20/78/37/388207837.db2.gz AUKFTHXMNOJJFC-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CS[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000449444484 388207958 /nfs/dbraw/zinc/20/79/58/388207958.db2.gz AUKFTHXMNOJJFC-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CS[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000449444485 388207945 /nfs/dbraw/zinc/20/79/45/388207945.db2.gz AUKFTHXMNOJJFC-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000449444554 388207633 /nfs/dbraw/zinc/20/76/33/388207633.db2.gz BUOBJMGJNKZHND-APHBMKBZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000449444555 388207760 /nfs/dbraw/zinc/20/77/60/388207760.db2.gz BUOBJMGJNKZHND-MAZHCROVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000449444556 388207805 /nfs/dbraw/zinc/20/78/05/388207805.db2.gz BUOBJMGJNKZHND-RCBQFDQVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000449444557 388207925 /nfs/dbraw/zinc/20/79/25/388207925.db2.gz BUOBJMGJNKZHND-VBNZEHGJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449444639 388208007 /nfs/dbraw/zinc/20/80/07/388208007.db2.gz CPMODXNDQYAQQQ-APYUEPQZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449444641 201925444 /nfs/dbraw/zinc/92/54/44/201925444.db2.gz CPMODXNDQYAQQQ-GVAFMPQTSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449444642 388207656 /nfs/dbraw/zinc/20/76/56/388207656.db2.gz CPMODXNDQYAQQQ-RKLWJJNISA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000449444643 388207774 /nfs/dbraw/zinc/20/77/74/388207774.db2.gz CPMODXNDQYAQQQ-YXAMBPQSSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)C1CC1 ZINC000449444734 201925830 /nfs/dbraw/zinc/92/58/30/201925830.db2.gz CXNVQXPYCMDWCL-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C)C1CC1 ZINC000449444735 388207988 /nfs/dbraw/zinc/20/79/88/388207988.db2.gz CXNVQXPYCMDWCL-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@@H](C)C3CC3)cc2c(C)c1 ZINC000449445316 388207610 /nfs/dbraw/zinc/20/76/10/388207610.db2.gz HZNVCNYCKAZKGC-LBPRGKRZSA-N 1 0 242.366 3.673 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000449445506 384536391 /nfs/dbraw/zinc/53/63/91/384536391.db2.gz JKFVUIYLEMJJCA-NEPJUHHUSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000449445507 200681231 /nfs/dbraw/zinc/68/12/31/200681231.db2.gz JKFVUIYLEMJJCA-RYUDHWBXSA-N 1 0 249.423 3.728 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000449446274 384551908 /nfs/dbraw/zinc/55/19/08/384551908.db2.gz PSZYUKKGKYDPRF-APHBMKBZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000449446275 384551185 /nfs/dbraw/zinc/55/11/85/384551185.db2.gz PSZYUKKGKYDPRF-MAZHCROVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000449447062 384557074 /nfs/dbraw/zinc/55/70/74/384557074.db2.gz WMSLWIJBORRYRN-IUIKQTSFSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000449447063 200680321 /nfs/dbraw/zinc/68/03/21/200680321.db2.gz WMSLWIJBORRYRN-KNXALSJPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000449447064 384558540 /nfs/dbraw/zinc/55/85/40/384558540.db2.gz WMSLWIJBORRYRN-UVBJJODRSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000449447065 200680226 /nfs/dbraw/zinc/68/02/26/200680226.db2.gz WMSLWIJBORRYRN-XZJROXQQSA-N 1 0 247.357 3.850 20 0 BHADRO CS[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000449447322 388208458 /nfs/dbraw/zinc/20/84/58/388208458.db2.gz YBMPACXVDGDLMN-NRMKIYEFSA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000449447323 388208895 /nfs/dbraw/zinc/20/88/95/388208895.db2.gz YBMPACXVDGDLMN-VOMSXAGXSA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000449447324 388208752 /nfs/dbraw/zinc/20/87/52/388208752.db2.gz YBMPACXVDGDLMN-VSKPTYQZSA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000449447326 388208468 /nfs/dbraw/zinc/20/84/68/388208468.db2.gz YBMPACXVDGDLMN-WVUXNXBLSA-N 1 0 247.407 3.527 20 0 BHADRO CC(C)[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000449448824 388208199 /nfs/dbraw/zinc/20/81/99/388208199.db2.gz JJKMIINVFLYJDF-CYBMUJFWSA-N 1 0 241.737 3.928 20 0 BHADRO CC(C)[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000449448825 388208297 /nfs/dbraw/zinc/20/82/97/388208297.db2.gz JJKMIINVFLYJDF-ZDUSSCGKSA-N 1 0 241.737 3.928 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)CCc1ccsc1 ZINC000449450173 201928253 /nfs/dbraw/zinc/92/82/53/201928253.db2.gz AXBKBCUVWYXXCZ-ITKZLYELSA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)CCc1ccsc1 ZINC000449450174 201928155 /nfs/dbraw/zinc/92/81/55/201928155.db2.gz AXBKBCUVWYXXCZ-QMAVJUDZSA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)CCc1ccsc1 ZINC000449450175 388209261 /nfs/dbraw/zinc/20/92/61/388209261.db2.gz AXBKBCUVWYXXCZ-RXNFCKPNSA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)CCc1ccsc1 ZINC000449450176 388209548 /nfs/dbraw/zinc/20/95/48/388209548.db2.gz AXBKBCUVWYXXCZ-ZYOFXKKJSA-N 1 0 223.385 3.625 20 0 BHADRO FCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000449450319 388209404 /nfs/dbraw/zinc/20/94/04/388209404.db2.gz BCROIDPFKCYMCA-UHFFFAOYSA-N 1 0 247.313 3.614 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccc(SC)s1 ZINC000449450401 388209231 /nfs/dbraw/zinc/20/92/31/388209231.db2.gz BIOYWINPTJLDRK-PLNGDYQASA-N 1 0 227.398 3.526 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccc(SC)s1 ZINC000449450402 388209188 /nfs/dbraw/zinc/20/91/88/388209188.db2.gz BIOYWINPTJLDRK-SNAWJCMRSA-N 1 0 227.398 3.526 20 0 BHADRO FCC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000449452577 388209100 /nfs/dbraw/zinc/20/91/00/388209100.db2.gz GIHFSMHLOKUTDQ-UHFFFAOYSA-N 1 0 247.313 3.614 20 0 BHADRO CC/C=C\C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000449453624 388209305 /nfs/dbraw/zinc/20/93/05/388209305.db2.gz IFDVITCKFDAUER-DNVGVPOPSA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C/C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000449453625 388209491 /nfs/dbraw/zinc/20/94/91/388209491.db2.gz IFDVITCKFDAUER-ICWBMWKASA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C\C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000449453626 201930278 /nfs/dbraw/zinc/93/02/78/201930278.db2.gz IFDVITCKFDAUER-OUPQRBNQSA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C/C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000449453627 388209270 /nfs/dbraw/zinc/20/92/70/388209270.db2.gz IFDVITCKFDAUER-VNKDHWASSA-N 1 0 237.293 3.534 20 0 BHADRO FCC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449453817 388210144 /nfs/dbraw/zinc/21/01/44/388210144.db2.gz IREKMCPJZLXXEZ-UHFFFAOYSA-N 1 0 247.313 3.614 20 0 BHADRO CC/C=C/C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000449454868 388210253 /nfs/dbraw/zinc/21/02/53/388210253.db2.gz KLMPNRUDTVMLRO-AIROSISHSA-N 1 0 244.382 3.664 20 0 BHADRO CC/C=C\C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449454869 388209850 /nfs/dbraw/zinc/20/98/50/388209850.db2.gz KLMPNRUDTVMLRO-RAQZUPNJSA-N 1 0 244.382 3.664 20 0 BHADRO CC/C=C\C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000449454870 201930661 /nfs/dbraw/zinc/93/06/61/201930661.db2.gz KLMPNRUDTVMLRO-WCQMXNECSA-N 1 0 244.382 3.664 20 0 BHADRO CC/C=C/C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449454871 388210471 /nfs/dbraw/zinc/21/04/71/388210471.db2.gz KLMPNRUDTVMLRO-YMBFEGSUSA-N 1 0 244.382 3.664 20 0 BHADRO CC/C=C\C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000449455699 388210335 /nfs/dbraw/zinc/21/03/35/388210335.db2.gz LOEKJSSEIJXBHA-DNVGVPOPSA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C/C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000449455700 388210089 /nfs/dbraw/zinc/21/00/89/388210089.db2.gz LOEKJSSEIJXBHA-ICWBMWKASA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C\C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000449455701 388210181 /nfs/dbraw/zinc/21/01/81/388210181.db2.gz LOEKJSSEIJXBHA-OUPQRBNQSA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C/C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000449455702 388209893 /nfs/dbraw/zinc/20/98/93/388209893.db2.gz LOEKJSSEIJXBHA-VNKDHWASSA-N 1 0 237.293 3.534 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000449456231 388209987 /nfs/dbraw/zinc/20/99/87/388209987.db2.gz MDELQJISCSQLHL-DOGVGXBMSA-N 1 0 231.330 3.756 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000449456233 388210054 /nfs/dbraw/zinc/21/00/54/388210054.db2.gz MDELQJISCSQLHL-SGUJLRQBSA-N 1 0 231.330 3.756 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000449456235 388210440 /nfs/dbraw/zinc/21/04/40/388210440.db2.gz MDELQJISCSQLHL-WYGGZMRJSA-N 1 0 231.330 3.756 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000449456236 384659809 /nfs/dbraw/zinc/65/98/09/384659809.db2.gz MDELQJISCSQLHL-ZWNMCFTASA-N 1 0 231.330 3.756 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000449456999 384666404 /nfs/dbraw/zinc/66/64/04/384666404.db2.gz MYOJYKZHEXHWHJ-PLNGDYQASA-N 1 0 246.379 3.661 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000449457001 384667812 /nfs/dbraw/zinc/66/78/12/384667812.db2.gz MYOJYKZHEXHWHJ-SNAWJCMRSA-N 1 0 246.379 3.661 20 0 BHADRO FCC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000449458263 388211002 /nfs/dbraw/zinc/21/10/02/388211002.db2.gz OVJLLUDYZBNWBG-UHFFFAOYSA-N 1 0 247.313 3.614 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000449459694 388211204 /nfs/dbraw/zinc/21/12/04/388211204.db2.gz LEHYYRNWOPRZJJ-AXFHLTTASA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000449459695 388211186 /nfs/dbraw/zinc/21/11/86/388211186.db2.gz LEHYYRNWOPRZJJ-DCAQKATOSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000449459696 388211264 /nfs/dbraw/zinc/21/12/64/388211264.db2.gz LEHYYRNWOPRZJJ-GARJFASQSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449459697 388210938 /nfs/dbraw/zinc/21/09/38/388210938.db2.gz LEHYYRNWOPRZJJ-HBNTYKKESA-N 1 0 237.309 3.695 20 0 BHADRO CC/C=C\C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449460363 384720904 /nfs/dbraw/zinc/72/09/04/384720904.db2.gz ROAVRNTVUWCNLN-ARJAWSKDSA-N 1 0 249.320 3.911 20 0 BHADRO CC/C=C/C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449460364 384723164 /nfs/dbraw/zinc/72/31/64/384723164.db2.gz ROAVRNTVUWCNLN-ONEGZZNKSA-N 1 0 249.320 3.911 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CCC(CF)CC1 ZINC000449460379 388211136 /nfs/dbraw/zinc/21/11/36/388211136.db2.gz RQCLKFLILNEDRX-KAMYIIQDSA-N 1 0 247.357 3.771 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CCC(CF)CC1 ZINC000449460380 388210899 /nfs/dbraw/zinc/21/08/99/388210899.db2.gz RQCLKFLILNEDRX-SDNWHVSQSA-N 1 0 247.357 3.771 20 0 BHADRO FCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000449460710 388211056 /nfs/dbraw/zinc/21/10/56/388211056.db2.gz RRRHDNGLBADEED-UHFFFAOYSA-N 1 0 241.737 3.522 20 0 BHADRO Cc1cc(C[NH+]2CCC(CF)CC2)c(C)s1 ZINC000449460723 388211252 /nfs/dbraw/zinc/21/12/52/388211252.db2.gz RUQUKPPEEBUMJL-UHFFFAOYSA-N 1 0 241.375 3.546 20 0 BHADRO CC/C=C\C[NH2+]Cc1cscc1C(F)(F)F ZINC000449461067 388210852 /nfs/dbraw/zinc/21/08/52/388210852.db2.gz SFYWBDLIGMBXAH-ARJAWSKDSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C/C[NH2+]Cc1cscc1C(F)(F)F ZINC000449461068 388210949 /nfs/dbraw/zinc/21/09/49/388210949.db2.gz SFYWBDLIGMBXAH-ONEGZZNKSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C\C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000449461105 384728442 /nfs/dbraw/zinc/72/84/42/384728442.db2.gz SIWWPZWRJCDIKR-PLNGDYQASA-N 1 0 240.350 3.599 20 0 BHADRO CC/C=C/C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000449461106 200683158 /nfs/dbraw/zinc/68/31/58/200683158.db2.gz SIWWPZWRJCDIKR-SNAWJCMRSA-N 1 0 240.350 3.599 20 0 BHADRO FCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449461465 388210790 /nfs/dbraw/zinc/21/07/90/388210790.db2.gz SVYJWPWQORJEDC-UHFFFAOYSA-N 1 0 241.737 3.522 20 0 BHADRO FCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449461849 388211276 /nfs/dbraw/zinc/21/12/76/388211276.db2.gz UBNMADAQLYGPOW-UHFFFAOYSA-N 1 0 241.737 3.522 20 0 BHADRO CC/C=C/C[NH2+]CC1(CCOC)CCCCC1 ZINC000449462460 384745951 /nfs/dbraw/zinc/74/59/51/384745951.db2.gz VBSKJJHGCPNCSH-XBXARRHUSA-N 1 0 239.403 3.529 20 0 BHADRO CC/C=C\C[NH2+]CC1(CCOC)CCCCC1 ZINC000449462461 200683362 /nfs/dbraw/zinc/68/33/62/200683362.db2.gz VBSKJJHGCPNCSH-YWEYNIOJSA-N 1 0 239.403 3.529 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449463232 388212249 /nfs/dbraw/zinc/21/22/49/388212249.db2.gz VRBZJRSIGZWVGT-GHMZBOCLSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000449463233 388211842 /nfs/dbraw/zinc/21/18/42/388211842.db2.gz VRBZJRSIGZWVGT-MNOVXSKESA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000449463234 388211552 /nfs/dbraw/zinc/21/15/52/388211552.db2.gz VRBZJRSIGZWVGT-QWRGUYRKSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000449463235 388211325 /nfs/dbraw/zinc/21/13/25/388211325.db2.gz VRBZJRSIGZWVGT-WDEREUQCSA-N 1 0 237.309 3.695 20 0 BHADRO FCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000449463350 384751483 /nfs/dbraw/zinc/75/14/83/384751483.db2.gz WOZRZDKWQPOMQR-UHFFFAOYSA-N 1 0 247.766 3.583 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000449464758 388212033 /nfs/dbraw/zinc/21/20/33/388212033.db2.gz ZERWNCAWPNICSM-ARJAWSKDSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000449464759 388211918 /nfs/dbraw/zinc/21/19/18/388211918.db2.gz ZERWNCAWPNICSM-ONEGZZNKSA-N 1 0 249.301 3.823 20 0 BHADRO CCC[C@@H]([NH2+]C1CCSCC1)C(C)(C)C ZINC000449465065 388212016 /nfs/dbraw/zinc/21/20/16/388212016.db2.gz AXDODLBVXPIVBJ-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H]([NH2+]C1CCSCC1)C(C)(C)C ZINC000449465066 201931763 /nfs/dbraw/zinc/93/17/63/201931763.db2.gz AXDODLBVXPIVBJ-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccco1)C(C)(C)C ZINC000449465382 388212224 /nfs/dbraw/zinc/21/22/24/388212224.db2.gz CPPFMTJDSOGAGC-GFCCVEGCSA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccco1)C(C)(C)C ZINC000449465383 388212119 /nfs/dbraw/zinc/21/21/19/388212119.db2.gz CPPFMTJDSOGAGC-LBPRGKRZSA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccccn1)C(C)(C)C ZINC000449467742 388212607 /nfs/dbraw/zinc/21/26/07/388212607.db2.gz JQWYPFAVQLMKMZ-GXTWGEPZSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccccn1)C(C)(C)C ZINC000449467743 388213058 /nfs/dbraw/zinc/21/30/58/388213058.db2.gz JQWYPFAVQLMKMZ-JSGCOSHPSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccccn1)C(C)(C)C ZINC000449467744 388212979 /nfs/dbraw/zinc/21/29/79/388212979.db2.gz JQWYPFAVQLMKMZ-OCCSQVGLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ccccn1)C(C)(C)C ZINC000449467745 388213045 /nfs/dbraw/zinc/21/30/45/388213045.db2.gz JQWYPFAVQLMKMZ-TZMCWYRMSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnccc1C)C(C)(C)C ZINC000449468330 388212490 /nfs/dbraw/zinc/21/24/90/388212490.db2.gz KPOBWVLNWAVMED-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnccc1C)C(C)(C)C ZINC000449468331 388212822 /nfs/dbraw/zinc/21/28/22/388212822.db2.gz KPOBWVLNWAVMED-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccncc1F)C(C)(C)C ZINC000449469785 388212887 /nfs/dbraw/zinc/21/28/87/388212887.db2.gz NDWFBHDFIWXIFU-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccncc1F)C(C)(C)C ZINC000449469786 388212452 /nfs/dbraw/zinc/21/24/52/388212452.db2.gz NDWFBHDFIWXIFU-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(C)(C)C ZINC000449469793 388213087 /nfs/dbraw/zinc/21/30/87/388213087.db2.gz NETMDCORLOTAPL-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CCOCC1)C(C)(C)C ZINC000449469794 388212772 /nfs/dbraw/zinc/21/27/72/388212772.db2.gz NETMDCORLOTAPL-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CCOCC1)C(C)(C)C ZINC000449469795 388212588 /nfs/dbraw/zinc/21/25/88/388212588.db2.gz NETMDCORLOTAPL-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CCOCC1)C(C)(C)C ZINC000449469796 388212913 /nfs/dbraw/zinc/21/29/13/388212913.db2.gz NETMDCORLOTAPL-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)[C@@H](C)c1ccccc1)OC ZINC000449470203 388213104 /nfs/dbraw/zinc/21/31/04/388213104.db2.gz AKAVBAMCXGUNJA-IIAWOOMASA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)[C@@H](C)c1ccccc1)OC ZINC000449470205 388213046 /nfs/dbraw/zinc/21/30/46/388213046.db2.gz AKAVBAMCXGUNJA-IJEWVQPXSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)[C@H](C)c1ccccc1)OC ZINC000449470209 388213060 /nfs/dbraw/zinc/21/30/60/388213060.db2.gz AKAVBAMCXGUNJA-OFQRWUPVSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)[C@H](C)c1ccccc1)OC ZINC000449470210 388212783 /nfs/dbraw/zinc/21/27/83/388212783.db2.gz AKAVBAMCXGUNJA-SQWLQELKSA-N 1 0 249.398 3.583 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccnc1C)C(C)(C)C ZINC000449470771 388212836 /nfs/dbraw/zinc/21/28/36/388212836.db2.gz ODKMAFAIAUQNGG-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccnc1C)C(C)(C)C ZINC000449470772 384895341 /nfs/dbraw/zinc/89/53/41/384895341.db2.gz ODKMAFAIAUQNGG-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC(OC)CC1)C(C)(C)C ZINC000449470799 388213040 /nfs/dbraw/zinc/21/30/40/388213040.db2.gz OHKYNAMDBURKDP-JXQTWKCFSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+]C1CCC(OC)CC1)C(C)(C)C ZINC000449471100 388213092 /nfs/dbraw/zinc/21/30/92/388213092.db2.gz OHKYNAMDBURKDP-RUXDESIVSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000449471573 201934481 /nfs/dbraw/zinc/93/44/81/201934481.db2.gz PCZJVKJRLNYYAM-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000449471574 388213080 /nfs/dbraw/zinc/21/30/80/388213080.db2.gz PCZJVKJRLNYYAM-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000449471576 388212706 /nfs/dbraw/zinc/21/27/06/388212706.db2.gz PCZJVKJRLNYYAM-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000449471577 201935117 /nfs/dbraw/zinc/93/51/17/201935117.db2.gz PCZJVKJRLNYYAM-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(C)(C)C ZINC000449471895 201935568 /nfs/dbraw/zinc/93/55/68/201935568.db2.gz PMWXMHPUPWMARH-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(C)(C)C ZINC000449471896 388212917 /nfs/dbraw/zinc/21/29/17/388212917.db2.gz PMWXMHPUPWMARH-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)(C)C ZINC000449471897 388213062 /nfs/dbraw/zinc/21/30/62/388213062.db2.gz PMWXMHPUPWMARH-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(C)(C)C ZINC000449471898 388213109 /nfs/dbraw/zinc/21/31/09/388213109.db2.gz PMWXMHPUPWMARH-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncccc1C)C(C)(C)C ZINC000449472668 388213590 /nfs/dbraw/zinc/21/35/90/388213590.db2.gz QFGHCYGOMZZUKA-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncccc1C)C(C)(C)C ZINC000449472669 388213679 /nfs/dbraw/zinc/21/36/79/388213679.db2.gz QFGHCYGOMZZUKA-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1scnc1C)C(C)(C)C ZINC000449473083 388213258 /nfs/dbraw/zinc/21/32/58/388213258.db2.gz QQGNAIIVLFOPKB-GFCCVEGCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1scnc1C)C(C)(C)C ZINC000449473084 388213655 /nfs/dbraw/zinc/21/36/55/388213655.db2.gz QQGNAIIVLFOPKB-LBPRGKRZSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)nc1)C(C)(C)C ZINC000449473104 201933820 /nfs/dbraw/zinc/93/38/20/201933820.db2.gz QTEOHJKGQXCTQM-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)nc1)C(C)(C)C ZINC000449473105 388213861 /nfs/dbraw/zinc/21/38/61/388213861.db2.gz QTEOHJKGQXCTQM-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)cn1)C(C)(C)C ZINC000449473640 388213738 /nfs/dbraw/zinc/21/37/38/388213738.db2.gz RDKJVYGQTVOZFP-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)cn1)C(C)(C)C ZINC000449473642 388213274 /nfs/dbraw/zinc/21/32/74/388213274.db2.gz RDKJVYGQTVOZFP-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nc(C)cs1)C(C)(C)C ZINC000449474058 388213634 /nfs/dbraw/zinc/21/36/34/388213634.db2.gz RKZBBVCVUBFQGO-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1nc(C)cs1)C(C)(C)C ZINC000449474059 388213948 /nfs/dbraw/zinc/21/39/48/388213948.db2.gz RKZBBVCVUBFQGO-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@H]2C2CC2)c1 ZINC000449474686 388213657 /nfs/dbraw/zinc/21/36/57/388213657.db2.gz DJBDBHCCRAIVLT-KBPBESRZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)c1 ZINC000449474687 388213385 /nfs/dbraw/zinc/21/33/85/388213385.db2.gz DJBDBHCCRAIVLT-KGLIPLIRSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)c1 ZINC000449474688 388213663 /nfs/dbraw/zinc/21/36/63/388213663.db2.gz DJBDBHCCRAIVLT-UONOGXRCSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000449474689 201935696 /nfs/dbraw/zinc/93/56/96/201935696.db2.gz DJBDBHCCRAIVLT-ZIAGYGMSSA-N 1 0 235.396 3.725 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccoc1)C(C)(C)C ZINC000449475454 201936815 /nfs/dbraw/zinc/93/68/15/201936815.db2.gz UIIBWBYOWIAWRE-GFCCVEGCSA-N 1 0 209.333 3.584 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccoc1)C(C)(C)C ZINC000449475455 388213756 /nfs/dbraw/zinc/21/37/56/388213756.db2.gz UIIBWBYOWIAWRE-LBPRGKRZSA-N 1 0 209.333 3.584 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000449476461 201936982 /nfs/dbraw/zinc/93/69/82/201936982.db2.gz GKXHGXVPEJYFEM-KBPBESRZSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000449476463 388214397 /nfs/dbraw/zinc/21/43/97/388214397.db2.gz GKXHGXVPEJYFEM-KGLIPLIRSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000449476464 388214539 /nfs/dbraw/zinc/21/45/39/388214539.db2.gz GKXHGXVPEJYFEM-UONOGXRCSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000449476466 388214328 /nfs/dbraw/zinc/21/43/28/388214328.db2.gz GKXHGXVPEJYFEM-ZIAGYGMSSA-N 1 0 235.396 3.725 20 0 BHADRO CCC[C@@H]([NH2+]Cc1csc(C)n1)C(C)(C)C ZINC000449476642 388214296 /nfs/dbraw/zinc/21/42/96/388214296.db2.gz VUEFLMHQMGXZLU-GFCCVEGCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1csc(C)n1)C(C)(C)C ZINC000449476643 201936939 /nfs/dbraw/zinc/93/69/39/201936939.db2.gz VUEFLMHQMGXZLU-LBPRGKRZSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449477438 388214609 /nfs/dbraw/zinc/21/46/09/388214609.db2.gz IGYPVTVJJZIMKM-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449477439 388214774 /nfs/dbraw/zinc/21/47/74/388214774.db2.gz IGYPVTVJJZIMKM-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449477440 201936393 /nfs/dbraw/zinc/93/63/93/201936393.db2.gz IGYPVTVJJZIMKM-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449477441 388214621 /nfs/dbraw/zinc/21/46/21/388214621.db2.gz IGYPVTVJJZIMKM-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C\c1ccncc1)C(C)(C)C ZINC000449477594 201937462 /nfs/dbraw/zinc/93/74/62/201937462.db2.gz WUUFBVCKIQAPAA-DDJMYBDESA-N 1 0 246.398 3.899 20 0 BHADRO CCC[C@H]([NH2+]C/C=C\c1ccncc1)C(C)(C)C ZINC000449477595 201936369 /nfs/dbraw/zinc/93/63/69/201936369.db2.gz WUUFBVCKIQAPAA-LYASGUKUSA-N 1 0 246.398 3.899 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C/c1ccncc1)C(C)(C)C ZINC000449477596 388214323 /nfs/dbraw/zinc/21/43/23/388214323.db2.gz WUUFBVCKIQAPAA-PMGBHYCQSA-N 1 0 246.398 3.899 20 0 BHADRO CCC[C@H]([NH2+]C/C=C/c1ccncc1)C(C)(C)C ZINC000449477597 388214550 /nfs/dbraw/zinc/21/45/50/388214550.db2.gz WUUFBVCKIQAPAA-VFADXPBXSA-N 1 0 246.398 3.899 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000449477650 388214348 /nfs/dbraw/zinc/21/43/48/388214348.db2.gz WZVBDJRVNPYOKI-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000449477651 388214574 /nfs/dbraw/zinc/21/45/74/388214574.db2.gz WZVBDJRVNPYOKI-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000449477652 388214721 /nfs/dbraw/zinc/21/47/21/388214721.db2.gz WZVBDJRVNPYOKI-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000449477653 201936704 /nfs/dbraw/zinc/93/67/04/201936704.db2.gz WZVBDJRVNPYOKI-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncc(F)c1)C(C)(C)C ZINC000449477940 201936692 /nfs/dbraw/zinc/93/66/92/201936692.db2.gz XMHZREZROBNDDU-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncc(F)c1)C(C)(C)C ZINC000449477941 201936952 /nfs/dbraw/zinc/93/69/52/201936952.db2.gz XMHZREZROBNDDU-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000449478140 201937735 /nfs/dbraw/zinc/93/77/35/201937735.db2.gz JWLIUAHGXIUUEA-BNOWGMLFSA-N 1 0 235.396 3.725 20 0 BHADRO CC[C@@](C)(C[NH2+][C@@H](C)CCC=C(C)C)OC ZINC000449478146 201937301 /nfs/dbraw/zinc/93/73/01/201937301.db2.gz QWRUXFPERXIPMT-KBPBESRZSA-N 1 0 227.392 3.526 20 0 BHADRO CC[C@@](C)(C[NH2+][C@H](C)CCC=C(C)C)OC ZINC000449478147 388214674 /nfs/dbraw/zinc/21/46/74/388214674.db2.gz QWRUXFPERXIPMT-KGLIPLIRSA-N 1 0 227.392 3.526 20 0 BHADRO CC[C@](C)(C[NH2+][C@@H](C)CCC=C(C)C)OC ZINC000449478148 201936077 /nfs/dbraw/zinc/93/60/77/201936077.db2.gz QWRUXFPERXIPMT-UONOGXRCSA-N 1 0 227.392 3.526 20 0 BHADRO CC[C@](C)(C[NH2+][C@H](C)CCC=C(C)C)OC ZINC000449478149 388214695 /nfs/dbraw/zinc/21/46/95/388214695.db2.gz QWRUXFPERXIPMT-ZIAGYGMSSA-N 1 0 227.392 3.526 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncc(C)s1)C(C)(C)C ZINC000449478260 388214480 /nfs/dbraw/zinc/21/44/80/388214480.db2.gz YEXJXNMENAFGQW-LLVKDONJSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncc(C)s1)C(C)(C)C ZINC000449478261 388214433 /nfs/dbraw/zinc/21/44/33/388214433.db2.gz YEXJXNMENAFGQW-NSHDSACASA-N 1 0 240.416 3.756 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000449478323 388214709 /nfs/dbraw/zinc/21/47/09/388214709.db2.gz JWLIUAHGXIUUEA-IACUBPJLSA-N 1 0 235.396 3.725 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449478433 388214442 /nfs/dbraw/zinc/21/44/42/388214442.db2.gz KFPSRNRNLYKFRJ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449478434 388214504 /nfs/dbraw/zinc/21/45/04/388214504.db2.gz KFPSRNRNLYKFRJ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449478435 388214293 /nfs/dbraw/zinc/21/42/93/388214293.db2.gz KFPSRNRNLYKFRJ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449478436 388214571 /nfs/dbraw/zinc/21/45/71/388214571.db2.gz KFPSRNRNLYKFRJ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC000449478840 388214835 /nfs/dbraw/zinc/21/48/35/388214835.db2.gz YTBJZJDPGZNCIQ-GFCCVEGCSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC000449478841 388214502 /nfs/dbraw/zinc/21/45/02/388214502.db2.gz YTBJZJDPGZNCIQ-LBPRGKRZSA-N 1 0 240.416 3.756 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000449479250 201936596 /nfs/dbraw/zinc/93/65/96/201936596.db2.gz ZPFKFPYJSZITMC-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(C)(C)C ZINC000449479251 388215486 /nfs/dbraw/zinc/21/54/86/388215486.db2.gz ZPFKFPYJSZITMC-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(C)(C)C ZINC000449479252 388215371 /nfs/dbraw/zinc/21/53/71/388215371.db2.gz ZPFKFPYJSZITMC-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000449479253 388215537 /nfs/dbraw/zinc/21/55/37/388215537.db2.gz ZPFKFPYJSZITMC-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2cc(C)ccn2)c1 ZINC000449480429 385008773 /nfs/dbraw/zinc/00/87/73/385008773.db2.gz OFXVWWKSFQSQGE-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2cc(C)ccn2)c1 ZINC000449480430 385009829 /nfs/dbraw/zinc/00/98/29/385009829.db2.gz OFXVWWKSFQSQGE-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000449481154 388215120 /nfs/dbraw/zinc/21/51/20/388215120.db2.gz RDLDBTFRVJHQDZ-LLVKDONJSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000449481155 388215656 /nfs/dbraw/zinc/21/56/56/388215656.db2.gz RDLDBTFRVJHQDZ-NSHDSACASA-N 1 0 223.385 3.725 20 0 BHADRO Cc1csc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000449482210 201939625 /nfs/dbraw/zinc/93/96/25/201939625.db2.gz XVWPIOWJEWSSNB-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000449483320 388216142 /nfs/dbraw/zinc/21/61/42/388216142.db2.gz IGYZHVJCRAOQPV-LOWVWBTDSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000449483321 388215851 /nfs/dbraw/zinc/21/58/51/388215851.db2.gz IGYZHVJCRAOQPV-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCc1ncccc1C ZINC000449484781 388216275 /nfs/dbraw/zinc/21/62/75/388216275.db2.gz JACVHOJLEFFUTB-HNNXBMFYSA-N 1 0 248.414 3.881 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCc1ncccc1C ZINC000449484782 388216239 /nfs/dbraw/zinc/21/62/39/388216239.db2.gz JACVHOJLEFFUTB-OAHLLOKOSA-N 1 0 248.414 3.881 20 0 BHADRO C(=C/c1ccncc1)\C[NH2+]CC1CCCCCC1 ZINC000449484853 388215815 /nfs/dbraw/zinc/21/58/15/388215815.db2.gz JQXGBBGSJBJLSU-VMPITWQZSA-N 1 0 244.382 3.655 20 0 BHADRO C(=C\c1ccncc1)\C[NH2+]CC1CCCCCC1 ZINC000449484854 201938562 /nfs/dbraw/zinc/93/85/62/201938562.db2.gz JQXGBBGSJBJLSU-YVMONPNESA-N 1 0 244.382 3.655 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)C2CCC2)cn1 ZINC000449485001 385190125 /nfs/dbraw/zinc/19/01/25/385190125.db2.gz KAISSQMMYASNJK-UHFFFAOYSA-N 1 0 246.398 3.560 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)C1CCC1 ZINC000449485011 201939456 /nfs/dbraw/zinc/93/94/56/201939456.db2.gz KBYQALQMLDRHOJ-GFCCVEGCSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)C1CCC1 ZINC000449485012 388216095 /nfs/dbraw/zinc/21/60/95/388216095.db2.gz KBYQALQMLDRHOJ-LBPRGKRZSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)(C[NH2+]C/C=C\c1ccncc1)C1CCC1 ZINC000449485226 200686410 /nfs/dbraw/zinc/68/64/10/200686410.db2.gz LIVGCLIOIHCGTP-PLNGDYQASA-N 1 0 244.382 3.511 20 0 BHADRO CC(C)(C[NH2+]C/C=C/c1ccncc1)C1CCC1 ZINC000449485227 200686402 /nfs/dbraw/zinc/68/64/02/200686402.db2.gz LIVGCLIOIHCGTP-SNAWJCMRSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cccnc1CCC[NH2+]C[C@@H](C)CC(C)C ZINC000449485428 388216180 /nfs/dbraw/zinc/21/61/80/388216180.db2.gz MPQORBNNSXPPEB-AWEZNQCLSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1cccnc1CCC[NH2+]C[C@H](C)CC(C)C ZINC000449485432 388216175 /nfs/dbraw/zinc/21/61/75/388216175.db2.gz MPQORBNNSXPPEB-CQSZACIVSA-N 1 0 248.414 3.594 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(SC)s1 ZINC000449486035 388216753 /nfs/dbraw/zinc/21/67/53/388216753.db2.gz SHWKSZVPWFVNPJ-ZJUUUORDSA-N 1 0 241.425 3.606 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CCc1ccsc1 ZINC000449486547 201941534 /nfs/dbraw/zinc/94/15/34/201941534.db2.gz UVRAYUJHSADHRN-BNOWGMLFSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CCc1ccsc1 ZINC000449486548 201940972 /nfs/dbraw/zinc/94/09/72/201940972.db2.gz UVRAYUJHSADHRN-YUTCNCBUSA-N 1 0 237.412 3.705 20 0 BHADRO Cc1cccnc1CCC[NH2+][C@@H](C)CCC(C)C ZINC000449486879 388216991 /nfs/dbraw/zinc/21/69/91/388216991.db2.gz VNOWPDIEUMHKGI-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccnc1CCC[NH2+][C@H](C)CCC(C)C ZINC000449486880 388216948 /nfs/dbraw/zinc/21/69/48/388216948.db2.gz VNOWPDIEUMHKGI-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449487227 388216987 /nfs/dbraw/zinc/21/69/87/388216987.db2.gz XEFOEPQRNHEJEX-DVOMOZLQSA-N 1 0 244.382 3.569 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000449487228 388217088 /nfs/dbraw/zinc/21/70/88/388217088.db2.gz XEFOEPQRNHEJEX-WWGRRREGSA-N 1 0 244.382 3.569 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)C2CCC2)c1 ZINC000449487482 388217048 /nfs/dbraw/zinc/21/70/48/388217048.db2.gz YNULOOSMZPJWOW-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC(C)(C)C2CCC2)c1 ZINC000449487483 388217083 /nfs/dbraw/zinc/21/70/83/388217083.db2.gz YNULOOSMZPJWOW-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cccnc1CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000449487546 388216996 /nfs/dbraw/zinc/21/69/96/388216996.db2.gz ZAKGUIFXCQZXJS-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cccnc1CCC[NH2+][C@H](C)CC(C)(C)C ZINC000449487547 201941501 /nfs/dbraw/zinc/94/15/01/201941501.db2.gz ZAKGUIFXCQZXJS-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC(CCC)[NH2+]CCCc1ncccc1C ZINC000449487728 385227999 /nfs/dbraw/zinc/22/79/99/385227999.db2.gz YTRRKGJBXBDUKN-UHFFFAOYSA-N 1 0 248.414 3.881 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000449489493 201941690 /nfs/dbraw/zinc/94/16/90/201941690.db2.gz ACSIPLUBYVOOBO-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000449489494 388217724 /nfs/dbraw/zinc/21/77/24/388217724.db2.gz ACSIPLUBYVOOBO-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000449490139 385262724 /nfs/dbraw/zinc/26/27/24/385262724.db2.gz BPLNXZCLZUFONV-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000449490140 385263813 /nfs/dbraw/zinc/26/38/13/385263813.db2.gz BPLNXZCLZUFONV-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000449490141 385263043 /nfs/dbraw/zinc/26/30/43/385263043.db2.gz BPLNXZCLZUFONV-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000449490142 385264636 /nfs/dbraw/zinc/26/46/36/385264636.db2.gz BPLNXZCLZUFONV-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000449492432 201941966 /nfs/dbraw/zinc/94/19/66/201941966.db2.gz JEWYJDQUQMAZNI-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449492433 388218006 /nfs/dbraw/zinc/21/80/06/388218006.db2.gz JEWYJDQUQMAZNI-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000449492434 388217927 /nfs/dbraw/zinc/21/79/27/388217927.db2.gz JEWYJDQUQMAZNI-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000449492435 201943729 /nfs/dbraw/zinc/94/37/29/201943729.db2.gz JEWYJDQUQMAZNI-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000449492891 388217858 /nfs/dbraw/zinc/21/78/58/388217858.db2.gz KIWZWQHLCSNMIP-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000449492892 388218250 /nfs/dbraw/zinc/21/82/50/388218250.db2.gz KIWZWQHLCSNMIP-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000449492893 388218303 /nfs/dbraw/zinc/21/83/03/388218303.db2.gz KIWZWQHLCSNMIP-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000449492894 388218145 /nfs/dbraw/zinc/21/81/45/388218145.db2.gz KIWZWQHLCSNMIP-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449495618 201942192 /nfs/dbraw/zinc/94/21/92/201942192.db2.gz ORSCGAMJPRBNFC-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449495619 388217489 /nfs/dbraw/zinc/21/74/89/388217489.db2.gz ORSCGAMJPRBNFC-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449495620 388218189 /nfs/dbraw/zinc/21/81/89/388218189.db2.gz ORSCGAMJPRBNFC-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449495621 388217758 /nfs/dbraw/zinc/21/77/58/388217758.db2.gz ORSCGAMJPRBNFC-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449496675 388219105 /nfs/dbraw/zinc/21/91/05/388219105.db2.gz QFZDCJFDTJYMDS-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449496676 388218690 /nfs/dbraw/zinc/21/86/90/388218690.db2.gz QFZDCJFDTJYMDS-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449496677 388218981 /nfs/dbraw/zinc/21/89/81/388218981.db2.gz QFZDCJFDTJYMDS-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449496678 388218727 /nfs/dbraw/zinc/21/87/27/388218727.db2.gz QFZDCJFDTJYMDS-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ncccc1C ZINC000449498122 388218595 /nfs/dbraw/zinc/21/85/95/388218595.db2.gz RTGWSTPDYPFTPG-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ncccc1C ZINC000449498123 388218883 /nfs/dbraw/zinc/21/88/83/388218883.db2.gz RTGWSTPDYPFTPG-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ncccc1C ZINC000449498124 388218814 /nfs/dbraw/zinc/21/88/14/388218814.db2.gz RTGWSTPDYPFTPG-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ncccc1C ZINC000449498125 388219196 /nfs/dbraw/zinc/21/91/96/388219196.db2.gz RTGWSTPDYPFTPG-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cnccc1C ZINC000449524258 388224005 /nfs/dbraw/zinc/22/40/05/388224005.db2.gz NKKAAXWWKKMPQK-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cnccc1C ZINC000449524259 388224374 /nfs/dbraw/zinc/22/43/74/388224374.db2.gz NKKAAXWWKKMPQK-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cnccc1C ZINC000449524260 388224113 /nfs/dbraw/zinc/22/41/13/388224113.db2.gz NKKAAXWWKKMPQK-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cnccc1C ZINC000449524261 388223936 /nfs/dbraw/zinc/22/39/36/388223936.db2.gz NKKAAXWWKKMPQK-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO Fc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1 ZINC000449530325 388225301 /nfs/dbraw/zinc/22/53/01/388225301.db2.gz ANAOVUIIGVAKEY-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO COc1ccccc1C[NH2+]C12CCC(CC1)CC2 ZINC000449531252 388225206 /nfs/dbraw/zinc/22/52/06/388225206.db2.gz CULAGDJMYIIGIJ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CCC1([NH2+]C/C=C\c2ccncc2)CCCCC1 ZINC000449531278 388225088 /nfs/dbraw/zinc/22/50/88/388225088.db2.gz GEQMHUBATZHPSL-SREVYHEPSA-N 1 0 244.382 3.797 20 0 BHADRO CCC1([NH2+]C/C=C/c2ccncc2)CCCCC1 ZINC000449531279 388225331 /nfs/dbraw/zinc/22/53/31/388225331.db2.gz GEQMHUBATZHPSL-VOTSOKGWSA-N 1 0 244.382 3.797 20 0 BHADRO Clc1ccc(C[NH2+]C23CCC(CC2)CC3)o1 ZINC000449531477 388225041 /nfs/dbraw/zinc/22/50/41/388225041.db2.gz DJOUITBESBWPCK-UHFFFAOYSA-N 1 0 239.746 3.745 20 0 BHADRO c1csc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449534386 388226560 /nfs/dbraw/zinc/22/65/60/388226560.db2.gz LFOOURSILIJACS-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO Cc1sccc1C[NH2+]C12CCC(CC1)CC2 ZINC000449534550 388226245 /nfs/dbraw/zinc/22/62/45/388226245.db2.gz GRIVKUZFNKKDCI-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[NH2+]C23CCC(CC2)CC3)s1 ZINC000449535186 201957547 /nfs/dbraw/zinc/95/75/47/201957547.db2.gz MYUCPRXXCSNAPP-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449535269 388226386 /nfs/dbraw/zinc/22/63/86/388226386.db2.gz HJFYWJPIFVBKMB-DZGCQCFKSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449535274 388226296 /nfs/dbraw/zinc/22/62/96/388226296.db2.gz HJFYWJPIFVBKMB-HIFRSBDPSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449535276 388226218 /nfs/dbraw/zinc/22/62/18/388226218.db2.gz HJFYWJPIFVBKMB-UKRRQHHQSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449535279 388226497 /nfs/dbraw/zinc/22/64/97/388226497.db2.gz HJFYWJPIFVBKMB-ZFWWWQNUSA-N 1 0 247.407 3.677 20 0 BHADRO Fc1ccccc1C[NH2+]C12CCC(CC1)CC2 ZINC000449535885 201957161 /nfs/dbraw/zinc/95/71/61/201957161.db2.gz OMXCACNARSRYFL-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1cccc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449536216 388226096 /nfs/dbraw/zinc/22/60/96/388226096.db2.gz OUELVEMSZABDBV-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO c1cc(C[NH2+]C23CCC(CC2)CC3)cs1 ZINC000449536296 388225874 /nfs/dbraw/zinc/22/58/74/388225874.db2.gz PNCSHKVUEKSJJP-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO COc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1 ZINC000449538248 388225844 /nfs/dbraw/zinc/22/58/44/388225844.db2.gz SYMJKLIPJYIEFQ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C1=CC[C@@H](C[NH2+]C23CCC(CC2)CC3)CC1 ZINC000449538939 388227416 /nfs/dbraw/zinc/22/74/16/388227416.db2.gz VJNNZQMIHXQBBD-SHARSMKWSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](C[NH2+]C23CCC(CC2)CC3)CC1 ZINC000449538940 388227079 /nfs/dbraw/zinc/22/70/79/388227079.db2.gz VJNNZQMIHXQBBD-SLTAFYQDSA-N 1 0 219.372 3.655 20 0 BHADRO Cc1ccsc1C[NH2+]C12CCC(CC1)CC2 ZINC000449538997 388227189 /nfs/dbraw/zinc/22/71/89/388227189.db2.gz VWNKVYMJDHUVFU-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449539282 388226870 /nfs/dbraw/zinc/22/68/70/388226870.db2.gz LNTDVHWDSLKZBB-CABCVRRESA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449539283 384414770 /nfs/dbraw/zinc/41/47/70/384414770.db2.gz LNTDVHWDSLKZBB-GJZGRUSLSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449539284 384415880 /nfs/dbraw/zinc/41/58/80/384415880.db2.gz LNTDVHWDSLKZBB-HUUCEWRRSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449539285 384415748 /nfs/dbraw/zinc/41/57/48/384415748.db2.gz LNTDVHWDSLKZBB-LSDHHAIUSA-N 1 0 247.407 3.677 20 0 BHADRO COc1cccc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449540830 388227588 /nfs/dbraw/zinc/22/75/88/388227588.db2.gz YQABSBPQMBXXRF-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1cc(C[NH2+]C23CCC(CC2)CC3)cs1 ZINC000449542494 201960497 /nfs/dbraw/zinc/96/04/97/201960497.db2.gz QQOWUMICOCSMHN-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449543600 388228223 /nfs/dbraw/zinc/22/82/23/388228223.db2.gz TXJYLEJCBNYXEG-CABCVRRESA-N 1 0 247.407 3.677 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449543601 388228368 /nfs/dbraw/zinc/22/83/68/388228368.db2.gz TXJYLEJCBNYXEG-GJZGRUSLSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449543602 388228043 /nfs/dbraw/zinc/22/80/43/388228043.db2.gz TXJYLEJCBNYXEG-HUUCEWRRSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449543603 384472501 /nfs/dbraw/zinc/47/25/01/384472501.db2.gz TXJYLEJCBNYXEG-LSDHHAIUSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449543820 388228106 /nfs/dbraw/zinc/22/81/06/388228106.db2.gz UNTKRQNVKMRZPH-CABCVRRESA-N 1 0 247.407 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449543821 388228193 /nfs/dbraw/zinc/22/81/93/388228193.db2.gz UNTKRQNVKMRZPH-GJZGRUSLSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449543822 388228185 /nfs/dbraw/zinc/22/81/85/388228185.db2.gz UNTKRQNVKMRZPH-HUUCEWRRSA-N 1 0 247.407 3.677 20 0 BHADRO Cc1sccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449543823 388227863 /nfs/dbraw/zinc/22/78/63/388227863.db2.gz UNTKRQNVKMRZPH-LSDHHAIUSA-N 1 0 247.407 3.677 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000449550542 201961530 /nfs/dbraw/zinc/96/15/30/201961530.db2.gz BRWVXCHYNQZUSK-MVKMKZAISA-N 1 0 245.357 3.692 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550664 398301805 /nfs/dbraw/zinc/30/18/05/398301805.db2.gz DQVAJTUPUZAXFE-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550665 398301781 /nfs/dbraw/zinc/30/17/81/398301781.db2.gz DQVAJTUPUZAXFE-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550666 398301566 /nfs/dbraw/zinc/30/15/66/398301566.db2.gz DQVAJTUPUZAXFE-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550667 398302172 /nfs/dbraw/zinc/30/21/72/398302172.db2.gz DQVAJTUPUZAXFE-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ncccc1C[N@H+]1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000449551763 388230447 /nfs/dbraw/zinc/23/04/47/388230447.db2.gz HJXPTCOUPXBRTC-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ncccc1C[N@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000449551764 388230342 /nfs/dbraw/zinc/23/03/42/388230342.db2.gz HJXPTCOUPXBRTC-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ncccc1C[N@H+]1C[C@H](C(C)C)[C@H]1C(C)C ZINC000449551765 388230679 /nfs/dbraw/zinc/23/06/79/388230679.db2.gz HJXPTCOUPXBRTC-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ncccc1C[N@H+]1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000449551766 388230395 /nfs/dbraw/zinc/23/03/95/388230395.db2.gz HJXPTCOUPXBRTC-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000449552205 388230796 /nfs/dbraw/zinc/23/07/96/388230796.db2.gz IMUSOFNWNAJHFW-DCAQKATOSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000449552206 201964558 /nfs/dbraw/zinc/96/45/58/201964558.db2.gz IMUSOFNWNAJHFW-VWYCJHECSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000449552598 384520816 /nfs/dbraw/zinc/52/08/16/384520816.db2.gz JVZCDGRVUPDXQR-ZFWWWQNUSA-N 1 0 242.366 3.550 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)nc1 ZINC000449552641 388230654 /nfs/dbraw/zinc/23/06/54/388230654.db2.gz JQFKLCHZSOBYLL-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)nc1 ZINC000449552643 388230631 /nfs/dbraw/zinc/23/06/31/388230631.db2.gz JQFKLCHZSOBYLL-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)nc1 ZINC000449552645 388230218 /nfs/dbraw/zinc/23/02/18/388230218.db2.gz JQFKLCHZSOBYLL-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)nc1 ZINC000449552647 388230334 /nfs/dbraw/zinc/23/03/34/388230334.db2.gz JQFKLCHZSOBYLL-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000449552815 201964222 /nfs/dbraw/zinc/96/42/22/201964222.db2.gz KIUAYJRRBDMVPH-GJZGRUSLSA-N 1 0 242.366 3.550 20 0 BHADRO Cc1ccc(F)c(CC[NH2+]Cc2ccsc2)c1 ZINC000449554685 201964523 /nfs/dbraw/zinc/96/45/23/201964523.db2.gz PIWRKMLICJOTFB-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Cc1ccc(F)c(CC[NH2+]Cc2cccs2)c1 ZINC000449554746 397955161 /nfs/dbraw/zinc/95/51/61/397955161.db2.gz PROCHLXOVLSCNJ-UHFFFAOYSA-N 1 0 249.354 3.528 20 0 BHADRO Clc1ccc(C2C[NH+](Cc3ccco3)C2)cc1 ZINC000449557388 201968483 /nfs/dbraw/zinc/96/84/83/201968483.db2.gz QOXBSLOOBCJGRV-UHFFFAOYSA-N 1 0 247.725 3.532 20 0 BHADRO Cc1ccncc1C[N@H+]1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000449559231 388232200 /nfs/dbraw/zinc/23/22/00/388232200.db2.gz XZFQPJORXSDZER-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccncc1C[N@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000449559232 388232176 /nfs/dbraw/zinc/23/21/76/388232176.db2.gz XZFQPJORXSDZER-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccncc1C[N@H+]1C[C@H](C(C)C)[C@H]1C(C)C ZINC000449559233 388231729 /nfs/dbraw/zinc/23/17/29/388231729.db2.gz XZFQPJORXSDZER-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1ccncc1C[N@H+]1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000449559235 388231551 /nfs/dbraw/zinc/23/15/51/388231551.db2.gz XZFQPJORXSDZER-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000449561126 388232939 /nfs/dbraw/zinc/23/29/39/388232939.db2.gz ATCNGGVNFZOKJG-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000449561127 388232504 /nfs/dbraw/zinc/23/25/04/388232504.db2.gz ATCNGGVNFZOKJG-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000449561128 388233159 /nfs/dbraw/zinc/23/31/59/388233159.db2.gz ATCNGGVNFZOKJG-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000449561129 388233220 /nfs/dbraw/zinc/23/32/20/388233220.db2.gz ATCNGGVNFZOKJG-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000449561359 201967225 /nfs/dbraw/zinc/96/72/25/201967225.db2.gz BWYBLTOLJHGBAF-HSBZDZAISA-N 1 0 249.402 3.522 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2nccn2CC)CC1 ZINC000449561360 201967561 /nfs/dbraw/zinc/96/75/61/201967561.db2.gz BWYBLTOLJHGBAF-IYXRBSQSSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000449561789 388232930 /nfs/dbraw/zinc/23/29/30/388232930.db2.gz FEYWOJZKEKHWKH-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000449561790 388232633 /nfs/dbraw/zinc/23/26/33/388232633.db2.gz FEYWOJZKEKHWKH-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000449561980 388233206 /nfs/dbraw/zinc/23/32/06/388233206.db2.gz GENZBONGDRUJLD-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000449561981 388232943 /nfs/dbraw/zinc/23/29/43/388232943.db2.gz GENZBONGDRUJLD-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000449561982 388232525 /nfs/dbraw/zinc/23/25/25/388232525.db2.gz GENZBONGDRUJLD-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000449561983 388232997 /nfs/dbraw/zinc/23/29/97/388232997.db2.gz GENZBONGDRUJLD-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1nccn1CC ZINC000449562155 388232749 /nfs/dbraw/zinc/23/27/49/388232749.db2.gz HMMQROJWFZEILK-GFCCVEGCSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1nccn1CC ZINC000449562156 388233086 /nfs/dbraw/zinc/23/30/86/388233086.db2.gz HMMQROJWFZEILK-LBPRGKRZSA-N 1 0 237.391 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000449562395 388232718 /nfs/dbraw/zinc/23/27/18/388232718.db2.gz KEKPZFBQAWHVNS-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]CC1CCCCCC1 ZINC000449562396 388232978 /nfs/dbraw/zinc/23/29/78/388232978.db2.gz KEKPZFBQAWHVNS-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2nccn2CC)C1 ZINC000449562474 388232623 /nfs/dbraw/zinc/23/26/23/388232623.db2.gz LBNWCUVQGXVJPV-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2nccn2CC)C1 ZINC000449562475 388232826 /nfs/dbraw/zinc/23/28/26/388232826.db2.gz LBNWCUVQGXVJPV-MCIONIFRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2nccn2CC)C1 ZINC000449562476 388232822 /nfs/dbraw/zinc/23/28/22/388232822.db2.gz LBNWCUVQGXVJPV-MGPQQGTHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2nccn2CC)C1 ZINC000449562477 388233172 /nfs/dbraw/zinc/23/31/72/388233172.db2.gz LBNWCUVQGXVJPV-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000449562588 388232839 /nfs/dbraw/zinc/23/28/39/388232839.db2.gz MFCGUBJMTBBPTP-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000449562589 201970645 /nfs/dbraw/zinc/97/06/45/201970645.db2.gz MFCGUBJMTBBPTP-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000449562590 384536482 /nfs/dbraw/zinc/53/64/82/384536482.db2.gz MFCGUBJMTBBPTP-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000449562591 384535886 /nfs/dbraw/zinc/53/58/86/384535886.db2.gz MFCGUBJMTBBPTP-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000449563311 388234042 /nfs/dbraw/zinc/23/40/42/388234042.db2.gz UFBIUIIJBDWNQI-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]CCC1CCCCC1 ZINC000449563312 388233998 /nfs/dbraw/zinc/23/39/98/388233998.db2.gz UFBIUIIJBDWNQI-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1nccn1CC ZINC000449563628 388234257 /nfs/dbraw/zinc/23/42/57/388234257.db2.gz XCXASXMVGBHQQT-CHWSQXEVSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1nccn1CC ZINC000449563629 388233740 /nfs/dbraw/zinc/23/37/40/388233740.db2.gz XCXASXMVGBHQQT-OLZOCXBDSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563630 388234029 /nfs/dbraw/zinc/23/40/29/388234029.db2.gz XCXASXMVGBHQQT-QWHCGFSZSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563631 388233811 /nfs/dbraw/zinc/23/38/11/388233811.db2.gz XCXASXMVGBHQQT-STQMWFEESA-N 1 0 237.391 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000449563779 388233815 /nfs/dbraw/zinc/23/38/15/388233815.db2.gz YJLVIESEXFTSTR-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000449563780 388233900 /nfs/dbraw/zinc/23/39/00/388233900.db2.gz YJLVIESEXFTSTR-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000449563781 388234004 /nfs/dbraw/zinc/23/40/04/388234004.db2.gz YJLVIESEXFTSTR-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000449563782 388233896 /nfs/dbraw/zinc/23/38/96/388233896.db2.gz YJLVIESEXFTSTR-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)C1CCCC1 ZINC000449565732 388233545 /nfs/dbraw/zinc/23/35/45/388233545.db2.gz KLIGUNYWXDNHAX-GXTWGEPZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1nccn1CC)C1CCCC1 ZINC000449565733 388234112 /nfs/dbraw/zinc/23/41/12/388234112.db2.gz KLIGUNYWXDNHAX-JSGCOSHPSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1nccn1CC)C1CCCC1 ZINC000449565734 388233974 /nfs/dbraw/zinc/23/39/74/388233974.db2.gz KLIGUNYWXDNHAX-OCCSQVGLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)C1CCCC1 ZINC000449565735 388233504 /nfs/dbraw/zinc/23/35/04/388233504.db2.gz KLIGUNYWXDNHAX-TZMCWYRMSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449568341 388234662 /nfs/dbraw/zinc/23/46/62/388234662.db2.gz AYHXOYMZSWRIJE-CRWXNKLISA-N 1 0 249.402 3.693 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449568342 388235235 /nfs/dbraw/zinc/23/52/35/388235235.db2.gz AYHXOYMZSWRIJE-RFQIPJPRSA-N 1 0 249.402 3.693 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449568343 388234598 /nfs/dbraw/zinc/23/45/98/388234598.db2.gz AYHXOYMZSWRIJE-XDQVBPFNSA-N 1 0 249.402 3.693 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449568344 388234614 /nfs/dbraw/zinc/23/46/14/388234614.db2.gz AYHXOYMZSWRIJE-XUXIUFHCSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449575250 388236689 /nfs/dbraw/zinc/23/66/89/388236689.db2.gz XGWYYPIQLUJRDR-CRWXNKLISA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575251 388236763 /nfs/dbraw/zinc/23/67/63/388236763.db2.gz XGWYYPIQLUJRDR-RFQIPJPRSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449575252 388236630 /nfs/dbraw/zinc/23/66/30/388236630.db2.gz XGWYYPIQLUJRDR-XDQVBPFNSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449575253 388236779 /nfs/dbraw/zinc/23/67/79/388236779.db2.gz XGWYYPIQLUJRDR-XUXIUFHCSA-N 1 0 249.402 3.693 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CC1(CC)COC1 ZINC000449601771 398304993 /nfs/dbraw/zinc/30/49/93/398304993.db2.gz RYTVCEDOHWWTFK-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CC1(CC)COC1 ZINC000449601772 398304905 /nfs/dbraw/zinc/30/49/05/398304905.db2.gz RYTVCEDOHWWTFK-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449607103 384700697 /nfs/dbraw/zinc/70/06/97/384700697.db2.gz AACSNQPZFMJMJZ-NEPJUHHUSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449607104 384702467 /nfs/dbraw/zinc/70/24/67/384702467.db2.gz AACSNQPZFMJMJZ-NWDGAFQWSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449607105 384701129 /nfs/dbraw/zinc/70/11/29/384701129.db2.gz AACSNQPZFMJMJZ-RYUDHWBXSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449607106 384702359 /nfs/dbraw/zinc/70/23/59/384702359.db2.gz AACSNQPZFMJMJZ-VXGBXAGGSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)CCCC(C)C)o1 ZINC000449607808 388241200 /nfs/dbraw/zinc/24/12/00/388241200.db2.gz CHCSUNNPOPAEIA-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)CCCC(C)C)o1 ZINC000449607809 388241669 /nfs/dbraw/zinc/24/16/69/388241669.db2.gz CHCSUNNPOPAEIA-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+]CC(CC)(CC)CC)o1 ZINC000449608351 384712803 /nfs/dbraw/zinc/71/28/03/384712803.db2.gz GXQYGLVSMZBANZ-UHFFFAOYSA-N 1 0 238.375 3.543 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000449609170 388242152 /nfs/dbraw/zinc/24/21/52/388242152.db2.gz MOFRHEYPIKAQHQ-LLVKDONJSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000449609171 388242120 /nfs/dbraw/zinc/24/21/20/388242120.db2.gz MOFRHEYPIKAQHQ-NSHDSACASA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](CC)C[C@H](C)CC)o1 ZINC000449611796 388243596 /nfs/dbraw/zinc/24/35/96/388243596.db2.gz YQPHPRDKCSHDTB-NEPJUHHUSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@H](CC)C[C@@H](C)CC)o1 ZINC000449611797 388243262 /nfs/dbraw/zinc/24/32/62/388243262.db2.gz YQPHPRDKCSHDTB-NWDGAFQWSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](CC)C[C@@H](C)CC)o1 ZINC000449611798 388243484 /nfs/dbraw/zinc/24/34/84/388243484.db2.gz YQPHPRDKCSHDTB-RYUDHWBXSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@H](CC)C[C@H](C)CC)o1 ZINC000449611799 388243357 /nfs/dbraw/zinc/24/33/57/388243357.db2.gz YQPHPRDKCSHDTB-VXGBXAGGSA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+][C@H](C)CC(C)(C)C)o1 ZINC000449612013 388243727 /nfs/dbraw/zinc/24/37/27/388243727.db2.gz JGTWQLHLNATILB-LLVKDONJSA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+][C@@H](C)CC(C)(C)C)o1 ZINC000449612014 388243674 /nfs/dbraw/zinc/24/36/74/388243674.db2.gz JGTWQLHLNATILB-NSHDSACASA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+]C(CCC)CCC)o1 ZINC000449612094 388243417 /nfs/dbraw/zinc/24/34/17/388243417.db2.gz JSAREUOESBREBT-UHFFFAOYSA-N 1 0 238.375 3.686 20 0 BHADRO CCCc1ncc(C[NH2+][C@H](C)CCC(C)C)o1 ZINC000449614055 388243698 /nfs/dbraw/zinc/24/36/98/388243698.db2.gz UKUMSENFHODDTJ-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+][C@@H](C)CCC(C)C)o1 ZINC000449614056 388243767 /nfs/dbraw/zinc/24/37/67/388243767.db2.gz UKUMSENFHODDTJ-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cnc(CCC)o1 ZINC000449614195 388243717 /nfs/dbraw/zinc/24/37/17/388243717.db2.gz URTHWEPZGGYCSR-GFCCVEGCSA-N 1 0 238.375 3.686 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cnc(CCC)o1 ZINC000449614196 388243532 /nfs/dbraw/zinc/24/35/32/388243532.db2.gz URTHWEPZGGYCSR-LBPRGKRZSA-N 1 0 238.375 3.686 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000449617126 201988379 /nfs/dbraw/zinc/98/83/79/201988379.db2.gz GILQJUHCWPPBAM-BPLDGKMQSA-N 1 0 247.382 3.719 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000449617127 388244205 /nfs/dbraw/zinc/24/42/05/388244205.db2.gz GILQJUHCWPPBAM-QEJZJMRPSA-N 1 0 247.382 3.719 20 0 BHADRO CCC(CC)[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000449619364 388244427 /nfs/dbraw/zinc/24/44/27/388244427.db2.gz PCSSFBUXPBYMHN-CTYIDZIISA-N 1 0 247.382 3.719 20 0 BHADRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C(C)C)C2)c1 ZINC000449619888 388244250 /nfs/dbraw/zinc/24/42/50/388244250.db2.gz RAOXXFJWWPYORR-BPLDGKMQSA-N 1 0 247.382 3.575 20 0 BHADRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C(C)C)C2)c1 ZINC000449619889 388244362 /nfs/dbraw/zinc/24/43/62/388244362.db2.gz RAOXXFJWWPYORR-QEJZJMRPSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000449620314 201987469 /nfs/dbraw/zinc/98/74/69/201987469.db2.gz UMKSTRUPPKTDNN-BPLDGKMQSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000449620315 388244262 /nfs/dbraw/zinc/24/42/62/388244262.db2.gz UMKSTRUPPKTDNN-QEJZJMRPSA-N 1 0 247.382 3.577 20 0 BHADRO COc1cccc([C@H]2C[C@H]([NH2+]CC(C)(C)C)C2)c1 ZINC000449621065 201987017 /nfs/dbraw/zinc/98/70/17/201987017.db2.gz YLYHJYUMZXNNHP-HDJSIYSDSA-N 1 0 247.382 3.577 20 0 BHADRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CCC=C(C)C)C1CC1 ZINC000449631898 388246322 /nfs/dbraw/zinc/24/63/22/388246322.db2.gz PZEFWMBMBHUNLI-GUTXKFCHSA-N 1 0 239.403 3.524 20 0 BHADRO CO[C@@H]([C@H](C)[NH2+][C@H](C)CCC=C(C)C)C1CC1 ZINC000449631899 201991618 /nfs/dbraw/zinc/99/16/18/201991618.db2.gz PZEFWMBMBHUNLI-IPYPFGDCSA-N 1 0 239.403 3.524 20 0 BHADRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)CCC=C(C)C)C1CC1 ZINC000449631900 388246265 /nfs/dbraw/zinc/24/62/65/388246265.db2.gz PZEFWMBMBHUNLI-NFAWXSAZSA-N 1 0 239.403 3.524 20 0 BHADRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)CCC=C(C)C)C1CC1 ZINC000449631901 388246153 /nfs/dbraw/zinc/24/61/53/388246153.db2.gz PZEFWMBMBHUNLI-YDHLFZDLSA-N 1 0 239.403 3.524 20 0 BHADRO c1coc([C@@H]2[N@H+](CC3CCCC3)CC23CCC3)c1 ZINC000449637929 388246841 /nfs/dbraw/zinc/24/68/41/388246841.db2.gz IOMFUNYEIILBRZ-HNNXBMFYSA-N 1 0 245.366 3.997 20 0 BHADRO c1coc([C@H]2[N@H+](CC3CCCC3)CC23CCC3)c1 ZINC000449637930 388246864 /nfs/dbraw/zinc/24/68/64/388246864.db2.gz IOMFUNYEIILBRZ-OAHLLOKOSA-N 1 0 245.366 3.997 20 0 BHADRO CC(C)=CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638047 388247166 /nfs/dbraw/zinc/24/71/66/388247166.db2.gz JBMHBBYCIQINQW-AWEZNQCLSA-N 1 0 231.339 3.773 20 0 BHADRO CC(C)=CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638048 388247157 /nfs/dbraw/zinc/24/71/57/388247157.db2.gz JBMHBBYCIQINQW-CQSZACIVSA-N 1 0 231.339 3.773 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638775 388247358 /nfs/dbraw/zinc/24/73/58/388247358.db2.gz LZTQXVIDDTYDJZ-GXTWGEPZSA-N 1 0 233.355 3.853 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638776 388246942 /nfs/dbraw/zinc/24/69/42/388246942.db2.gz LZTQXVIDDTYDJZ-JSGCOSHPSA-N 1 0 233.355 3.853 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638777 388247019 /nfs/dbraw/zinc/24/70/19/388247019.db2.gz LZTQXVIDDTYDJZ-OCCSQVGLSA-N 1 0 233.355 3.853 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638778 388247284 /nfs/dbraw/zinc/24/72/84/388247284.db2.gz LZTQXVIDDTYDJZ-TZMCWYRMSA-N 1 0 233.355 3.853 20 0 BHADRO CC1(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCC1 ZINC000449641386 388248036 /nfs/dbraw/zinc/24/80/36/388248036.db2.gz UWTWMFOTBSAAKO-AWEZNQCLSA-N 1 0 245.366 3.997 20 0 BHADRO CC1(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CCC1 ZINC000449641387 388247909 /nfs/dbraw/zinc/24/79/09/388247909.db2.gz UWTWMFOTBSAAKO-CQSZACIVSA-N 1 0 245.366 3.997 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccncc1)C1CCCC1 ZINC000449665287 388250120 /nfs/dbraw/zinc/25/01/20/388250120.db2.gz DWNGQAFZPYMWDF-JFDDCEBESA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccncc1)C1CCCC1 ZINC000449665289 388250188 /nfs/dbraw/zinc/25/01/88/388250188.db2.gz DWNGQAFZPYMWDF-KJPDOMRESA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\c1ccncc1)C1CCCC1 ZINC000449665290 388250735 /nfs/dbraw/zinc/25/07/35/388250735.db2.gz DWNGQAFZPYMWDF-OGZRUICASA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/c1ccncc1)C1CCCC1 ZINC000449665291 201997912 /nfs/dbraw/zinc/99/79/12/201997912.db2.gz DWNGQAFZPYMWDF-SQRWCISFSA-N 1 0 244.382 3.653 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)C2CCCC2)cn1 ZINC000449666020 388250738 /nfs/dbraw/zinc/25/07/38/388250738.db2.gz GHKKVQRFBFOYKD-INIZCTEOSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)C2CCCC2)cn1 ZINC000449666021 388250601 /nfs/dbraw/zinc/25/06/01/388250601.db2.gz GHKKVQRFBFOYKD-MRXNPFEDSA-N 1 0 246.398 3.702 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccoc1)C1CCCC1 ZINC000449668055 202000176 /nfs/dbraw/zinc/00/01/76/202000176.db2.gz JXGMQRQIUKTVOF-DOMZBBRYSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccoc1)C1CCCC1 ZINC000449668058 202001331 /nfs/dbraw/zinc/00/13/31/202001331.db2.gz JXGMQRQIUKTVOF-IUODEOHRSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCCC1 ZINC000449668059 202001319 /nfs/dbraw/zinc/00/13/19/202001319.db2.gz JXGMQRQIUKTVOF-SWLSCSKDSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCCC1 ZINC000449668060 388251168 /nfs/dbraw/zinc/25/11/68/388251168.db2.gz JXGMQRQIUKTVOF-WFASDCNBSA-N 1 0 235.371 3.769 20 0 BHADRO CC1(C2([NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000449668519 202001472 /nfs/dbraw/zinc/00/14/72/202001472.db2.gz GQRMERQOTYDFLU-CABCVRRESA-N 1 0 241.378 3.712 20 0 BHADRO CC1(C2([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000449668520 384874019 /nfs/dbraw/zinc/87/40/19/384874019.db2.gz GQRMERQOTYDFLU-HUUCEWRRSA-N 1 0 241.378 3.712 20 0 BHADRO CC1(C2([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000449668521 384873839 /nfs/dbraw/zinc/87/38/39/384873839.db2.gz GQRMERQOTYDFLU-LSDHHAIUSA-N 1 0 241.378 3.712 20 0 BHADRO C[C@H](C[NH2+]C1(C2(C)CC2)CC1)c1ccc(F)cc1 ZINC000449669362 202001405 /nfs/dbraw/zinc/00/14/05/202001405.db2.gz HVFGHAYKVZKOBQ-GFCCVEGCSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+]C1(C2(C)CC2)CC1)c1ccc(F)cc1 ZINC000449669363 202000265 /nfs/dbraw/zinc/00/02/65/202000265.db2.gz HVFGHAYKVZKOBQ-LBPRGKRZSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C2([NH2+]Cc3cccc4ccoc43)CC2)CC1 ZINC000449671264 202000076 /nfs/dbraw/zinc/00/00/76/202000076.db2.gz ROWHRRSBMNBFHF-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO CC1(C2([NH2+]Cc3ccc4occc4c3)CC2)CC1 ZINC000449672932 398339633 /nfs/dbraw/zinc/33/96/33/398339633.db2.gz YHJXUBLPRWZYKE-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO CC1(C2([NH2+]C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000449674155 388251519 /nfs/dbraw/zinc/25/15/19/388251519.db2.gz SMAUTUMNAYSSEY-IHWYPQMZSA-N 1 0 245.341 3.761 20 0 BHADRO CC1(C2([NH2+]C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000449674156 202000533 /nfs/dbraw/zinc/00/05/33/202000533.db2.gz SMAUTUMNAYSSEY-NSCUHMNNSA-N 1 0 245.341 3.761 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@H](C)CC2CCCC2)cn1 ZINC000449676625 388251193 /nfs/dbraw/zinc/25/11/93/388251193.db2.gz IPGYETPPPXACAN-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@H](C)CC2CCCC2)cn1 ZINC000449676626 202000081 /nfs/dbraw/zinc/00/00/81/202000081.db2.gz IPGYETPPPXACAN-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CC2CCCC2)cn1 ZINC000449676627 202000234 /nfs/dbraw/zinc/00/02/34/202000234.db2.gz IPGYETPPPXACAN-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1cc([C@H](C)[NH2+][C@@H](C)CC2CCCC2)cn1 ZINC000449676628 388251599 /nfs/dbraw/zinc/25/15/99/388251599.db2.gz IPGYETPPPXACAN-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000449676966 201999148 /nfs/dbraw/zinc/99/91/48/201999148.db2.gz KSJPBMIRPBWFMM-GFCCVEGCSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000449676967 388250953 /nfs/dbraw/zinc/25/09/53/388250953.db2.gz KSJPBMIRPBWFMM-LBPRGKRZSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000449680964 384908311 /nfs/dbraw/zinc/90/83/11/384908311.db2.gz UYXOSWDHPAZFFP-GXTWGEPZSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000449680965 384908382 /nfs/dbraw/zinc/90/83/82/384908382.db2.gz UYXOSWDHPAZFFP-JSGCOSHPSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000449680966 384908082 /nfs/dbraw/zinc/90/80/82/384908082.db2.gz UYXOSWDHPAZFFP-OCCSQVGLSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000449680967 384907026 /nfs/dbraw/zinc/90/70/26/384907026.db2.gz UYXOSWDHPAZFFP-TZMCWYRMSA-N 1 0 237.391 3.522 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000449691338 200698864 /nfs/dbraw/zinc/69/88/64/200698864.db2.gz VPYBDGCOHQHPQZ-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000449691339 384969377 /nfs/dbraw/zinc/96/93/77/384969377.db2.gz VPYBDGCOHQHPQZ-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000449691340 384967513 /nfs/dbraw/zinc/96/75/13/384967513.db2.gz VPYBDGCOHQHPQZ-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000449691341 384968922 /nfs/dbraw/zinc/96/89/22/384968922.db2.gz VPYBDGCOHQHPQZ-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(c1ccc(F)cc1)C1([NH2+]CC2CC2)CC1 ZINC000449693233 202002303 /nfs/dbraw/zinc/00/23/03/202002303.db2.gz CWJLDVNSHSNAHE-UHFFFAOYSA-N 1 0 247.357 3.636 20 0 BHADRO c1nc(C2CC2)oc1C[NH2+]CC1CCCCCC1 ZINC000449694663 202003473 /nfs/dbraw/zinc/00/34/73/202003473.db2.gz CBBFKTORHBOTHE-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CC1(C)CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449695269 202002521 /nfs/dbraw/zinc/00/25/21/202002521.db2.gz DXNOPXBRPRFJNG-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449698445 202003913 /nfs/dbraw/zinc/00/39/13/202003913.db2.gz NPNIDROFZYZNIJ-AAEUAGOBSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449698446 202004656 /nfs/dbraw/zinc/00/46/56/202004656.db2.gz NPNIDROFZYZNIJ-DGCLKSJQSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449698447 202004968 /nfs/dbraw/zinc/00/49/68/202004968.db2.gz NPNIDROFZYZNIJ-WCQYABFASA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449698448 202004147 /nfs/dbraw/zinc/00/41/47/202004147.db2.gz NPNIDROFZYZNIJ-YPMHNXCESA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449699825 202005416 /nfs/dbraw/zinc/00/54/16/202005416.db2.gz AEWHJFGNOMWDBI-LLVKDONJSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449699826 202004817 /nfs/dbraw/zinc/00/48/17/202004817.db2.gz AEWHJFGNOMWDBI-NSHDSACASA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000449701292 202004398 /nfs/dbraw/zinc/00/43/98/202004398.db2.gz BQIGYTMSMGUQPM-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000449701293 202005693 /nfs/dbraw/zinc/00/56/93/202005693.db2.gz BQIGYTMSMGUQPM-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449701352 202005008 /nfs/dbraw/zinc/00/50/08/202005008.db2.gz CBBGHXLZYCQUEH-GFCCVEGCSA-N 1 0 248.370 3.777 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449701353 202005440 /nfs/dbraw/zinc/00/54/40/202005440.db2.gz CBBGHXLZYCQUEH-LBPRGKRZSA-N 1 0 248.370 3.777 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449701759 202005101 /nfs/dbraw/zinc/00/51/01/202005101.db2.gz XHLZFBGQDRVGFB-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO CCC1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449702365 202004312 /nfs/dbraw/zinc/00/43/12/202004312.db2.gz ZAYBHIIYFJBDRY-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO c1nc(C2CC2)oc1C[NH2+]CCC1CCCCC1 ZINC000449704848 202005214 /nfs/dbraw/zinc/00/52/14/202005214.db2.gz IPTNJEWRXLPDRI-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000449706270 202007396 /nfs/dbraw/zinc/00/73/96/202007396.db2.gz MVLYUUBXDPLQMH-LLVKDONJSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000449706271 202007371 /nfs/dbraw/zinc/00/73/71/202007371.db2.gz MVLYUUBXDPLQMH-NSHDSACASA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449708390 202006710 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202008914 /nfs/dbraw/zinc/00/89/14/202008914.db2.gz HYYKPDYMWRUBBU-CYBMUJFWSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000449719805 202008841 /nfs/dbraw/zinc/00/88/41/202008841.db2.gz HYYKPDYMWRUBBU-ZDUSSCGKSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449732728 202010444 /nfs/dbraw/zinc/01/04/44/202010444.db2.gz CWCXDWWWFBHTCQ-AWEZNQCLSA-N 1 0 246.398 3.923 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449732729 202011854 /nfs/dbraw/zinc/01/18/54/202011854.db2.gz CWCXDWWWFBHTCQ-CQSZACIVSA-N 1 0 246.398 3.923 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2CC2CC2)c(F)c1 ZINC000449733236 202010142 /nfs/dbraw/zinc/01/01/42/202010142.db2.gz OGYLFEKKXDQGHR-AWEZNQCLSA-N 1 0 237.293 3.512 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2CC2CC2)c(F)c1 ZINC000449733240 202011250 /nfs/dbraw/zinc/01/12/50/202011250.db2.gz OGYLFEKKXDQGHR-CQSZACIVSA-N 1 0 237.293 3.512 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C(C)C)cn1 ZINC000449734034 202010531 /nfs/dbraw/zinc/01/05/31/202010531.db2.gz LMYIDFBJMFCOKY-CVEARBPZSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C(C)C)cn1 ZINC000449734035 202011127 /nfs/dbraw/zinc/01/11/27/202011127.db2.gz LMYIDFBJMFCOKY-HOTGVXAUSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)cn1 ZINC000449734036 202011039 /nfs/dbraw/zinc/01/10/39/202011039.db2.gz LMYIDFBJMFCOKY-HZPDHXFCSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C(C)C)cn1 ZINC000449734037 202011860 /nfs/dbraw/zinc/01/18/60/202011860.db2.gz LMYIDFBJMFCOKY-JKSUJKDBSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CCC3(CC3)CC2)cn1 ZINC000449735916 202014914 /nfs/dbraw/zinc/01/49/14/202014914.db2.gz SNBFAWJUCHVOLC-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)CC2CCCC2)cn1 ZINC000449736893 202014573 /nfs/dbraw/zinc/01/45/73/202014573.db2.gz XOPFHPYBGFUUCQ-AWEZNQCLSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)CC2CCCC2)cn1 ZINC000449736894 202014727 /nfs/dbraw/zinc/01/47/27/202014727.db2.gz XOPFHPYBGFUUCQ-CQSZACIVSA-N 1 0 246.398 3.757 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739695 202016267 /nfs/dbraw/zinc/01/62/67/202016267.db2.gz CCKGGKXIZGJSBA-BQPHKTIFSA-N 1 0 245.366 3.539 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739696 202015679 /nfs/dbraw/zinc/01/56/79/202015679.db2.gz CCKGGKXIZGJSBA-FATJJJSSSA-N 1 0 245.366 3.539 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739697 202016334 /nfs/dbraw/zinc/01/63/34/202016334.db2.gz CCKGGKXIZGJSBA-LVGORTOPSA-N 1 0 245.366 3.539 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739698 202015399 /nfs/dbraw/zinc/01/53/99/202015399.db2.gz CCKGGKXIZGJSBA-WCUVEOEZSA-N 1 0 245.366 3.539 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740495 385103899 /nfs/dbraw/zinc/10/38/99/385103899.db2.gz GTIRRSCVEGZTJL-ZFWWWQNUSA-N 1 0 241.334 3.569 20 0 BHADRO c1cc2cc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)ccc2o1 ZINC000449741147 202015641 /nfs/dbraw/zinc/01/56/41/202015641.db2.gz JAQBQSYPUCPRAF-GJZGRUSLSA-N 1 0 241.334 3.569 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000449741567 202015791 /nfs/dbraw/zinc/01/57/91/202015791.db2.gz KYPOUFQCGQLHNC-ZFWWWQNUSA-N 1 0 247.407 3.544 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449741785 202015776 /nfs/dbraw/zinc/01/57/76/202015776.db2.gz MAWIBHSEVQUSED-WFASDCNBSA-N 1 0 241.334 3.569 20 0 BHADRO c1ccc(C2CC([NH2+]C[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000449742037 200700375 /nfs/dbraw/zinc/70/03/75/200700375.db2.gz NABUGDOFYUZMKG-XGHPGWEVSA-N 1 0 241.378 3.568 20 0 BHADRO COCC1(C[NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000449742161 202015481 /nfs/dbraw/zinc/01/54/81/202015481.db2.gz NENRCZYDTWRGEW-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO COCC1(C[NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000449742167 202016770 /nfs/dbraw/zinc/01/67/70/202016770.db2.gz NENRCZYDTWRGEW-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO c1cc2cccc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)c2o1 ZINC000449743203 202018176 /nfs/dbraw/zinc/01/81/76/202018176.db2.gz VQGWNBHIEVTVPR-GJZGRUSLSA-N 1 0 241.334 3.569 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743252 202017219 /nfs/dbraw/zinc/01/72/19/202017219.db2.gz WDHFOQZGLIXNNX-CQDKDKBSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743253 202018259 /nfs/dbraw/zinc/01/82/59/202018259.db2.gz WDHFOQZGLIXNNX-UGFHNGPFSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000449743539 202017973 /nfs/dbraw/zinc/01/79/73/202017973.db2.gz YTXHMJYSEANKSX-PJODQICGSA-N 1 0 247.357 3.565 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000449743540 202018651 /nfs/dbraw/zinc/01/86/51/202018651.db2.gz YTXHMJYSEANKSX-WPGHFRTFSA-N 1 0 247.357 3.565 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743630 202018657 /nfs/dbraw/zinc/01/86/57/202018657.db2.gz ZSXLPJAZOYNIKK-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743631 202018712 /nfs/dbraw/zinc/01/87/12/202018712.db2.gz ZSXLPJAZOYNIKK-USWWRNFRSA-N 1 0 249.320 3.743 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000449754321 202021823 /nfs/dbraw/zinc/02/18/23/202021823.db2.gz IYOQVOMKIZZENI-RBSFLKMASA-N 1 0 239.403 3.669 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000449754322 202022242 /nfs/dbraw/zinc/02/22/42/202022242.db2.gz IYOQVOMKIZZENI-RRFJBIMHSA-N 1 0 239.403 3.669 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC1CCCC1 ZINC000449754373 202022552 /nfs/dbraw/zinc/02/25/52/202022552.db2.gz JIAPZWLLDAABHZ-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC1CCCC1 ZINC000449754374 202022914 /nfs/dbraw/zinc/02/29/14/202022914.db2.gz JIAPZWLLDAABHZ-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449755012 202022494 /nfs/dbraw/zinc/02/24/94/202022494.db2.gz LOZQQJCIEYKKPS-ZIAGYGMSSA-N 1 0 227.392 3.502 20 0 BHADRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC(C)C)C2)c1 ZINC000449755315 202022783 /nfs/dbraw/zinc/02/27/83/202022783.db2.gz MOEPWRSJLZUKQM-SHTZXODSSA-N 1 0 247.382 3.529 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000449756897 202025110 /nfs/dbraw/zinc/02/51/10/202025110.db2.gz CLDFGDUBVZLPSK-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC1CC1 ZINC000449756898 202025415 /nfs/dbraw/zinc/02/54/15/202025415.db2.gz CLDFGDUBVZLPSK-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759125 202024076 /nfs/dbraw/zinc/02/40/76/202024076.db2.gz XDTDOFDDMHSZRU-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759126 202025113 /nfs/dbraw/zinc/02/51/13/202025113.db2.gz XDTDOFDDMHSZRU-MGPQQGTHSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760096 202024059 /nfs/dbraw/zinc/02/40/59/202024059.db2.gz LVLDVXWMNNWCJM-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760097 202024394 /nfs/dbraw/zinc/02/43/94/202024394.db2.gz LVLDVXWMNNWCJM-MGPQQGTHSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760612 202025244 /nfs/dbraw/zinc/02/52/44/202025244.db2.gz QAMNTYBKNXJZLS-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760613 202024441 /nfs/dbraw/zinc/02/44/41/202024441.db2.gz QAMNTYBKNXJZLS-MGPQQGTHSA-N 1 0 227.392 3.502 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000449760962 202024393 /nfs/dbraw/zinc/02/43/93/202024393.db2.gz SVDJOMVBRNRAIY-FVQBIDKESA-N 1 0 247.382 3.685 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CCCC1 ZINC000449761085 202026179 /nfs/dbraw/zinc/02/61/79/202026179.db2.gz URARJYFJWUOASL-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000449761086 202026434 /nfs/dbraw/zinc/02/64/34/202026434.db2.gz URARJYFJWUOASL-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[C@@H](C)C1 ZINC000449764406 202027766 /nfs/dbraw/zinc/02/77/66/202027766.db2.gz AVPAPGSECQTWEM-XJFOESAGSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[C@@H](C)C1 ZINC000449764407 202028084 /nfs/dbraw/zinc/02/80/84/202028084.db2.gz AVPAPGSECQTWEM-ZOBORPQBSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449764659 202026979 /nfs/dbraw/zinc/02/69/79/202026979.db2.gz CXHPNOSIJNEPKL-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449764660 202028177 /nfs/dbraw/zinc/02/81/77/202028177.db2.gz CXHPNOSIJNEPKL-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449764661 202027997 /nfs/dbraw/zinc/02/79/97/202027997.db2.gz CXHPNOSIJNEPKL-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449764662 202026135 /nfs/dbraw/zinc/02/61/35/202026135.db2.gz CXHPNOSIJNEPKL-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[C@H](C)C1 ZINC000449766555 202025679 /nfs/dbraw/zinc/02/56/79/202025679.db2.gz NRPBXBNUFYMDRK-AVGNSLFASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[C@H](C)C1 ZINC000449766556 202027573 /nfs/dbraw/zinc/02/75/73/202027573.db2.gz NRPBXBNUFYMDRK-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449767252 202027356 /nfs/dbraw/zinc/02/73/56/202027356.db2.gz PSVXPLUGWBSLNE-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449767253 202025747 /nfs/dbraw/zinc/02/57/47/202025747.db2.gz PSVXPLUGWBSLNE-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449767254 202025685 /nfs/dbraw/zinc/02/56/85/202025685.db2.gz PSVXPLUGWBSLNE-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449767255 202026364 /nfs/dbraw/zinc/02/63/64/202026364.db2.gz PSVXPLUGWBSLNE-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000449767546 202026066 /nfs/dbraw/zinc/02/60/66/202026066.db2.gz QTGCXQISCVVRBH-BARDWOONSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000449767552 202027815 /nfs/dbraw/zinc/02/78/15/202027815.db2.gz QTGCXQISCVVRBH-CBBWQLFWSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000449767553 202027435 /nfs/dbraw/zinc/02/74/35/202027435.db2.gz QTGCXQISCVVRBH-LXTVHRRPSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000449767556 202028353 /nfs/dbraw/zinc/02/83/53/202028353.db2.gz QTGCXQISCVVRBH-QPSCCSFWSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)nc1 ZINC000449768099 202026285 /nfs/dbraw/zinc/02/62/85/202026285.db2.gz RTPIAEAHZKLURW-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)nc1 ZINC000449768100 385187021 /nfs/dbraw/zinc/18/70/21/385187021.db2.gz RTPIAEAHZKLURW-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)nc1 ZINC000449768101 385188810 /nfs/dbraw/zinc/18/88/10/385188810.db2.gz RTPIAEAHZKLURW-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000449768102 385188690 /nfs/dbraw/zinc/18/86/90/385188690.db2.gz RTPIAEAHZKLURW-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000449768462 202028595 /nfs/dbraw/zinc/02/85/95/202028595.db2.gz SEAXREXPOPTQLO-DUVNUKRYSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000449768463 202029273 /nfs/dbraw/zinc/02/92/73/202029273.db2.gz SEAXREXPOPTQLO-INWMFGNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000449768464 202030389 /nfs/dbraw/zinc/03/03/89/202030389.db2.gz SEAXREXPOPTQLO-IVMMDQJWSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000449768465 202029716 /nfs/dbraw/zinc/02/97/16/202029716.db2.gz SEAXREXPOPTQLO-NOLJZWGESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449768743 202030576 /nfs/dbraw/zinc/03/05/76/202030576.db2.gz SZKDRVQZDVBEIA-IPYPFGDCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449768744 202030005 /nfs/dbraw/zinc/03/00/05/202030005.db2.gz SZKDRVQZDVBEIA-KCQAQPDRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449768745 202030489 /nfs/dbraw/zinc/03/04/89/202030489.db2.gz SZKDRVQZDVBEIA-VNHYZAJKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449768746 202028793 /nfs/dbraw/zinc/02/87/93/202028793.db2.gz 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ZINC000450311565 202124909 /nfs/dbraw/zinc/12/49/09/202124909.db2.gz ICOKRKSAJNROGV-UHFFFAOYSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450314668 202126920 /nfs/dbraw/zinc/12/69/20/202126920.db2.gz CCLUVTVLEFRLEZ-GFCCVEGCSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450314669 202125348 /nfs/dbraw/zinc/12/53/48/202125348.db2.gz CCLUVTVLEFRLEZ-LBPRGKRZSA-N 1 0 245.357 3.932 20 0 BHADRO CC(=O)c1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000450319769 202127217 /nfs/dbraw/zinc/12/72/17/202127217.db2.gz RYIQGBDGOHMZNM-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000450320023 202128391 /nfs/dbraw/zinc/12/83/91/202128391.db2.gz SYHRXNUYMSUWEC-CYBMUJFWSA-N 1 0 239.403 3.646 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000450320024 202127123 /nfs/dbraw/zinc/12/71/23/202127123.db2.gz SYHRXNUYMSUWEC-ZDUSSCGKSA-N 1 0 239.403 3.646 20 0 BHADRO CC(=O)c1cccc(C[N@H+](C)CC2CCCC2)c1 ZINC000450320597 202127772 /nfs/dbraw/zinc/12/77/72/202127772.db2.gz WETAMQGAVQCMRX-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450325102 202130949 /nfs/dbraw/zinc/13/09/49/202130949.db2.gz BQXGMYFTNNBAKF-GFCCVEGCSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450325103 202129564 /nfs/dbraw/zinc/12/95/64/202129564.db2.gz BQXGMYFTNNBAKF-LBPRGKRZSA-N 1 0 231.330 3.542 20 0 BHADRO CCC1(C)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450335458 202131401 /nfs/dbraw/zinc/13/14/01/202131401.db2.gz YJOOGWXSWHQFAB-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CCc1cc(N2CCC[C@H]2c2ccco2)cc[nH+]1 ZINC000450337376 202133421 /nfs/dbraw/zinc/13/34/21/202133421.db2.gz FSIZBZKYJMLZQZ-AWEZNQCLSA-N 1 0 242.322 3.579 20 0 BHADRO CCc1cc(N2CCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000450337377 202133184 /nfs/dbraw/zinc/13/31/84/202133184.db2.gz FSIZBZKYJMLZQZ-CQSZACIVSA-N 1 0 242.322 3.579 20 0 BHADRO CC1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450340233 202134506 /nfs/dbraw/zinc/13/45/06/202134506.db2.gz DZFPUWLWZNJGKI-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO CC1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450340234 202136123 /nfs/dbraw/zinc/13/61/23/202136123.db2.gz DZFPUWLWZNJGKI-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CC(=O)c1cccc(C[NH+]2CCC(C)(C)CC2)c1 ZINC000450340791 202136013 /nfs/dbraw/zinc/13/60/13/202136013.db2.gz HCNWJFBIEFANNV-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CC(=O)c1ccc(C[NH+]2CCC(C)(C)CC2)cc1 ZINC000450340969 202133909 /nfs/dbraw/zinc/13/39/09/202133909.db2.gz HPPDPQQACKBOBM-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO C[N@H+](CCC1=CCCCC1)CCC(F)(F)F ZINC000450341367 202135394 /nfs/dbraw/zinc/13/53/94/202135394.db2.gz ZTJLSPHPAYSAJP-UHFFFAOYSA-N 1 0 235.293 3.761 20 0 BHADRO C[N@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)C ZINC000450342485 202135779 /nfs/dbraw/zinc/13/57/79/202135779.db2.gz SDUIKZYQLBTVTF-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO C[N@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)C ZINC000450342486 202134027 /nfs/dbraw/zinc/13/40/27/202134027.db2.gz SDUIKZYQLBTVTF-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000450344830 202134193 /nfs/dbraw/zinc/13/41/93/202134193.db2.gz CSEXDIQZWQGJEC-AAEUAGOBSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000450344831 202136164 /nfs/dbraw/zinc/13/61/64/202136164.db2.gz CSEXDIQZWQGJEC-DGCLKSJQSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000450344832 202134303 /nfs/dbraw/zinc/13/43/03/202134303.db2.gz CSEXDIQZWQGJEC-WCQYABFASA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000450344833 387952572 /nfs/dbraw/zinc/95/25/72/387952572.db2.gz CSEXDIQZWQGJEC-YPMHNXCESA-N 1 0 243.341 3.686 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000450346225 202133398 /nfs/dbraw/zinc/13/33/98/202133398.db2.gz MOUIRQYAOOQUOA-NEPJUHHUSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000450346226 202133093 /nfs/dbraw/zinc/13/30/93/202133093.db2.gz MOUIRQYAOOQUOA-NWDGAFQWSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000450346227 202132407 /nfs/dbraw/zinc/13/24/07/202132407.db2.gz MOUIRQYAOOQUOA-RYUDHWBXSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000450346228 202132484 /nfs/dbraw/zinc/13/24/84/202132484.db2.gz MOUIRQYAOOQUOA-VXGBXAGGSA-N 1 0 231.330 3.686 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000450351428 202140718 /nfs/dbraw/zinc/14/07/18/202140718.db2.gz UXZRTISEXTWJMA-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000450351429 202139120 /nfs/dbraw/zinc/13/91/20/202139120.db2.gz UXZRTISEXTWJMA-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CCC[N@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450354195 202140620 /nfs/dbraw/zinc/14/06/20/202140620.db2.gz JZMFHKNWHNQLMZ-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO CCC[N@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450354196 202140335 /nfs/dbraw/zinc/14/03/35/202140335.db2.gz JZMFHKNWHNQLMZ-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450356575 202143222 /nfs/dbraw/zinc/14/32/22/202143222.db2.gz HPSLFCDEJLFPMG-LLVKDONJSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450356576 202141538 /nfs/dbraw/zinc/14/15/38/202141538.db2.gz HPSLFCDEJLFPMG-NSHDSACASA-N 1 0 231.330 3.542 20 0 BHADRO CCC(=O)CCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000450357495 202142378 /nfs/dbraw/zinc/14/23/78/202142378.db2.gz LDCCHWBBKAKEAL-CHWSQXEVSA-N 1 0 239.403 3.645 20 0 BHADRO CCC(=O)CCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000450357496 202142180 /nfs/dbraw/zinc/14/21/80/202142180.db2.gz LDCCHWBBKAKEAL-OLZOCXBDSA-N 1 0 239.403 3.645 20 0 BHADRO CCC(=O)CCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000450357497 202141888 /nfs/dbraw/zinc/14/18/88/202141888.db2.gz LDCCHWBBKAKEAL-QWHCGFSZSA-N 1 0 239.403 3.645 20 0 BHADRO CCC(=O)CCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000450357498 202141852 /nfs/dbraw/zinc/14/18/52/202141852.db2.gz LDCCHWBBKAKEAL-STQMWFEESA-N 1 0 239.403 3.645 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450358595 202142169 /nfs/dbraw/zinc/14/21/69/202142169.db2.gz SQMBUDIFZUYZDY-NEPJUHHUSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450358597 202143341 /nfs/dbraw/zinc/14/33/41/202143341.db2.gz SQMBUDIFZUYZDY-NWDGAFQWSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450358599 202142183 /nfs/dbraw/zinc/14/21/83/202142183.db2.gz SQMBUDIFZUYZDY-RYUDHWBXSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450358600 202142478 /nfs/dbraw/zinc/14/24/78/202142478.db2.gz SQMBUDIFZUYZDY-VXGBXAGGSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450358925 387977889 /nfs/dbraw/zinc/97/78/89/387977889.db2.gz UISZNPSBDVGLPU-GHMZBOCLSA-N 1 0 245.357 3.931 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450358928 201431474 /nfs/dbraw/zinc/43/14/74/201431474.db2.gz UISZNPSBDVGLPU-MNOVXSKESA-N 1 0 245.357 3.931 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450358929 387977781 /nfs/dbraw/zinc/97/77/81/387977781.db2.gz UISZNPSBDVGLPU-QWRGUYRKSA-N 1 0 245.357 3.931 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450358933 387978117 /nfs/dbraw/zinc/97/81/17/387978117.db2.gz UISZNPSBDVGLPU-WDEREUQCSA-N 1 0 245.357 3.931 20 0 BHADRO CCc1cc(N2Cc3ccccc3[C@H]2C)cc[nH+]1 ZINC000450363363 202142313 /nfs/dbraw/zinc/14/23/13/202142313.db2.gz ISHGIPXBHKCLKL-GFCCVEGCSA-N 1 0 238.334 3.725 20 0 BHADRO CCc1cc(N2Cc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000450363364 202142940 /nfs/dbraw/zinc/14/29/40/202142940.db2.gz ISHGIPXBHKCLKL-LBPRGKRZSA-N 1 0 238.334 3.725 20 0 BHADRO c1ccc2c(c1)C[NH+](CC1=CCCCC1)C2 ZINC000450375901 202146619 /nfs/dbraw/zinc/14/66/19/202146619.db2.gz FTUXYKFODAKNOV-UHFFFAOYSA-N 1 0 213.324 3.503 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000450385003 202149700 /nfs/dbraw/zinc/14/97/00/202149700.db2.gz BZLASFPFNFWIIK-BETUJISGSA-N 1 0 245.366 3.652 20 0 BHADRO CC(=O)c1cccc(C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000450385005 202148774 /nfs/dbraw/zinc/14/87/74/202148774.db2.gz BZLASFPFNFWIIK-CHWSQXEVSA-N 1 0 245.366 3.652 20 0 BHADRO CC(=O)c1cccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000450385006 202148832 /nfs/dbraw/zinc/14/88/32/202148832.db2.gz BZLASFPFNFWIIK-STQMWFEESA-N 1 0 245.366 3.652 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450386684 202147815 /nfs/dbraw/zinc/14/78/15/202147815.db2.gz FKHPOBVFZYUQIH-GRYCIOLGSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC000450386685 202147939 /nfs/dbraw/zinc/14/79/39/202147939.db2.gz FKHPOBVFZYUQIH-IJLUTSLNSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450386686 202149071 /nfs/dbraw/zinc/14/90/71/202149071.db2.gz FKHPOBVFZYUQIH-TUAOUCFPSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCC(F)(F)C1 ZINC000450386687 202148092 /nfs/dbraw/zinc/14/80/92/202148092.db2.gz FKHPOBVFZYUQIH-UTUOFQBUSA-N 1 0 231.330 3.685 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000450388675 202148131 /nfs/dbraw/zinc/14/81/31/202148131.db2.gz INWCBPMMYBCKTQ-BETUJISGSA-N 1 0 245.366 3.652 20 0 BHADRO CC(=O)c1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000450388676 202149680 /nfs/dbraw/zinc/14/96/80/202149680.db2.gz INWCBPMMYBCKTQ-CHWSQXEVSA-N 1 0 245.366 3.652 20 0 BHADRO CC(=O)c1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000450388677 202148506 /nfs/dbraw/zinc/14/85/06/202148506.db2.gz INWCBPMMYBCKTQ-STQMWFEESA-N 1 0 245.366 3.652 20 0 BHADRO C[N@H+](CC1CCC1)C[C@H]1CCCCC1(F)F ZINC000450396094 202153381 /nfs/dbraw/zinc/15/33/81/202153381.db2.gz WFEGDISNBOTVTN-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO C[N@H+](CC1CCC1)C[C@@H]1CCCCC1(F)F ZINC000450396095 202153964 /nfs/dbraw/zinc/15/39/64/202153964.db2.gz WFEGDISNBOTVTN-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC(=O)c1cccc(C[N@@H+]2CCCC(C)(C)C2)c1 ZINC000450399551 202154609 /nfs/dbraw/zinc/15/46/09/202154609.db2.gz AHLKCWCPVNHJGK-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CC[N@H+](CC1CC1)C[C@H]1CCCCC1(F)F ZINC000450402368 202155763 /nfs/dbraw/zinc/15/57/63/202155763.db2.gz KJSAMRZRDNLEPF-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC[N@H+](CC1CC1)C[C@@H]1CCCCC1(F)F ZINC000450402369 202156415 /nfs/dbraw/zinc/15/64/15/202156415.db2.gz KJSAMRZRDNLEPF-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC(=O)c1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000450403008 202157013 /nfs/dbraw/zinc/15/70/13/202157013.db2.gz KDGDTNSBGNHRFB-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO c1coc([C@@H]2CCC[N@H+]2CC2=CCCCC2)c1 ZINC000450406431 202156928 /nfs/dbraw/zinc/15/69/28/202156928.db2.gz GKOOYGXLMMCKPH-AWEZNQCLSA-N 1 0 231.339 3.917 20 0 BHADRO c1coc([C@H]2CCC[N@H+]2CC2=CCCCC2)c1 ZINC000450406432 388036145 /nfs/dbraw/zinc/03/61/45/388036145.db2.gz GKOOYGXLMMCKPH-CQSZACIVSA-N 1 0 231.339 3.917 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000450409796 202158398 /nfs/dbraw/zinc/15/83/98/202158398.db2.gz LHMURXOSZGZFBV-AWEZNQCLSA-N 1 0 249.354 3.566 20 0 BHADRO CCC(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000450409797 202158753 /nfs/dbraw/zinc/15/87/53/202158753.db2.gz LHMURXOSZGZFBV-CQSZACIVSA-N 1 0 249.354 3.566 20 0 BHADRO CC(C)(C)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450410297 202157854 /nfs/dbraw/zinc/15/78/54/202157854.db2.gz MAFBEIILIZZAKP-UHFFFAOYSA-N 1 0 245.357 3.790 20 0 BHADRO CC1(C)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450410585 202157543 /nfs/dbraw/zinc/15/75/43/202157543.db2.gz XVLKMKYEANIJHY-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO CC1(C)CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450410586 202157708 /nfs/dbraw/zinc/15/77/08/202157708.db2.gz XVLKMKYEANIJHY-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C)cc1 ZINC000450412850 388041745 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ZINC000450644079 202212383 /nfs/dbraw/zinc/21/23/83/202212383.db2.gz AQGIKEYTBOTDCG-NSHDSACASA-N 1 0 219.319 3.541 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000450644232 202223761 /nfs/dbraw/zinc/22/37/61/202223761.db2.gz KMVRPLBJTFTFRX-CHWSQXEVSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000450644233 202221743 /nfs/dbraw/zinc/22/17/43/202221743.db2.gz KMVRPLBJTFTFRX-OLZOCXBDSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000450644234 202223090 /nfs/dbraw/zinc/22/30/90/202223090.db2.gz KMVRPLBJTFTFRX-QWHCGFSZSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000450644235 202221614 /nfs/dbraw/zinc/22/16/14/202221614.db2.gz KMVRPLBJTFTFRX-STQMWFEESA-N 1 0 243.341 3.544 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@H](C)C2CCC2)c1 ZINC000450644653 202222058 /nfs/dbraw/zinc/22/20/58/202222058.db2.gz BNFWIVPWJMSVFI-GFCCVEGCSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C2CCC2)c1 ZINC000450644654 202222576 /nfs/dbraw/zinc/22/25/76/202222576.db2.gz BNFWIVPWJMSVFI-LBPRGKRZSA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450645523 202221996 /nfs/dbraw/zinc/22/19/96/202221996.db2.gz DDLRSFJOTXYWGZ-AAEUAGOBSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000450645524 202223615 /nfs/dbraw/zinc/22/36/15/202223615.db2.gz DDLRSFJOTXYWGZ-DGCLKSJQSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000450645525 202223424 /nfs/dbraw/zinc/22/34/24/202223424.db2.gz DDLRSFJOTXYWGZ-WCQYABFASA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450645526 202223345 /nfs/dbraw/zinc/22/33/45/202223345.db2.gz DDLRSFJOTXYWGZ-YPMHNXCESA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450645723 202221793 /nfs/dbraw/zinc/22/17/93/202221793.db2.gz PTFVDBQYXJLUTG-BLLLJJGKSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450645724 202222590 /nfs/dbraw/zinc/22/25/90/202222590.db2.gz PTFVDBQYXJLUTG-LRDDRELGSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450645725 202222761 /nfs/dbraw/zinc/22/27/61/202222761.db2.gz PTFVDBQYXJLUTG-MLGOLLRUSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450645726 202222300 /nfs/dbraw/zinc/22/23/00/202222300.db2.gz PTFVDBQYXJLUTG-WBMJQRKESA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450649251 202226026 /nfs/dbraw/zinc/22/60/26/202226026.db2.gz WWOOSYCEKHSMSJ-BLLLJJGKSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450649252 202226230 /nfs/dbraw/zinc/22/62/30/202226230.db2.gz WWOOSYCEKHSMSJ-LRDDRELGSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450649253 202225625 /nfs/dbraw/zinc/22/56/25/202225625.db2.gz WWOOSYCEKHSMSJ-MLGOLLRUSA-N 1 0 245.366 3.652 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450649254 202224557 /nfs/dbraw/zinc/22/45/57/202224557.db2.gz WWOOSYCEKHSMSJ-WBMJQRKESA-N 1 0 245.366 3.652 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000450649555 202226254 /nfs/dbraw/zinc/22/62/54/202226254.db2.gz JJGHJRZSTUFGNP-GHMZBOCLSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000450649556 202225920 /nfs/dbraw/zinc/22/59/20/202225920.db2.gz JJGHJRZSTUFGNP-MNOVXSKESA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000450649558 202224425 /nfs/dbraw/zinc/22/44/25/202224425.db2.gz JJGHJRZSTUFGNP-QWRGUYRKSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000450649559 202225792 /nfs/dbraw/zinc/22/57/92/202225792.db2.gz JJGHJRZSTUFGNP-WDEREUQCSA-N 1 0 231.330 3.542 20 0 BHADRO FC1=CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450650429 202225719 /nfs/dbraw/zinc/22/57/19/202225719.db2.gz ZKMNJQOFEFKINA-RUDMXATFSA-N 1 0 231.314 3.649 20 0 BHADRO FC1=CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450650442 202224897 /nfs/dbraw/zinc/22/48/97/202224897.db2.gz ZKMNJQOFEFKINA-WTKPLQERSA-N 1 0 231.314 3.649 20 0 BHADRO CC(C)[NH+](C[C@H]1CCCCC1(F)F)C(C)C ZINC000450653848 202228792 /nfs/dbraw/zinc/22/87/92/202228792.db2.gz QGCBEYCJXJCPPA-GFCCVEGCSA-N 1 0 233.346 3.931 20 0 BHADRO CC(C)[NH+](C[C@@H]1CCCCC1(F)F)C(C)C ZINC000450653849 202227118 /nfs/dbraw/zinc/22/71/18/202227118.db2.gz QGCBEYCJXJCPPA-LBPRGKRZSA-N 1 0 233.346 3.931 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@H](C)C2CCC2)cc1 ZINC000450653887 202227101 /nfs/dbraw/zinc/22/71/01/202227101.db2.gz QKSIUVZDZBVFNY-GFCCVEGCSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C2CCC2)cc1 ZINC000450653888 202228352 /nfs/dbraw/zinc/22/83/52/202228352.db2.gz QKSIUVZDZBVFNY-LBPRGKRZSA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)CC12CCC2 ZINC000450657258 202228943 /nfs/dbraw/zinc/22/89/43/202228943.db2.gz ZCWFTHBSBPORTB-LLVKDONJSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CC[N@H+](CC2CC(F)(F)C2)CC12CCC2 ZINC000450657259 202228994 /nfs/dbraw/zinc/22/89/94/202228994.db2.gz ZCWFTHBSBPORTB-NSHDSACASA-N 1 0 243.341 3.544 20 0 BHADRO C[C@]1(F)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450659684 202229197 /nfs/dbraw/zinc/22/91/97/202229197.db2.gz REQFXAAJCKVTCD-BOSPYUDASA-N 1 0 233.330 3.524 20 0 BHADRO C[C@@]1(F)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450659685 202228293 /nfs/dbraw/zinc/22/82/93/202228293.db2.gz REQFXAAJCKVTCD-FUVBFXSKSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@@]1(F)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450659686 202228568 /nfs/dbraw/zinc/22/85/68/202228568.db2.gz REQFXAAJCKVTCD-HMZQOCAUSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@]1(F)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450659687 202227718 /nfs/dbraw/zinc/22/77/18/202227718.db2.gz REQFXAAJCKVTCD-ZHMISCPASA-N 1 0 233.330 3.524 20 0 BHADRO CC[N@H+](CCC1=CCCCC1)Cc1ccncc1 ZINC000450661549 202230818 /nfs/dbraw/zinc/23/08/18/202230818.db2.gz VAQVPRFFRNMXNQ-UHFFFAOYSA-N 1 0 244.382 3.794 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000450684610 202233108 /nfs/dbraw/zinc/23/31/08/202233108.db2.gz JRCRRBUWIKGMIU-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)C1CCCCC1 ZINC000450684611 202234086 /nfs/dbraw/zinc/23/40/86/202234086.db2.gz JRCRRBUWIKGMIU-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000450691846 202233683 /nfs/dbraw/zinc/23/36/83/202233683.db2.gz ZCTXQTITEPXQAT-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000450691851 202233561 /nfs/dbraw/zinc/23/35/61/202233561.db2.gz ZCTXQTITEPXQAT-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000450691853 202234229 /nfs/dbraw/zinc/23/42/29/202234229.db2.gz ZCTXQTITEPXQAT-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000450691863 202235119 /nfs/dbraw/zinc/23/51/19/202235119.db2.gz ZCTXQTITEPXQAT-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450710324 202241233 /nfs/dbraw/zinc/24/12/33/202241233.db2.gz AZNLNNUUKXWZJX-NEPJUHHUSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450710325 202242494 /nfs/dbraw/zinc/24/24/94/202242494.db2.gz AZNLNNUUKXWZJX-NWDGAFQWSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450710326 202242858 /nfs/dbraw/zinc/24/28/58/202242858.db2.gz AZNLNNUUKXWZJX-RYUDHWBXSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450710327 202242802 /nfs/dbraw/zinc/24/28/02/202242802.db2.gz AZNLNNUUKXWZJX-VXGBXAGGSA-N 1 0 245.357 3.790 20 0 BHADRO C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC=CCC1 ZINC000450714950 202242771 /nfs/dbraw/zinc/24/27/71/202242771.db2.gz MMERWASMRLSWIX-CHWSQXEVSA-N 1 0 243.341 3.710 20 0 BHADRO C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CC=CCC1 ZINC000450714952 202240844 /nfs/dbraw/zinc/24/08/44/202240844.db2.gz MMERWASMRLSWIX-OLZOCXBDSA-N 1 0 243.341 3.710 20 0 BHADRO C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@H]1CC=CCC1 ZINC000450714954 202242932 /nfs/dbraw/zinc/24/29/32/202242932.db2.gz MMERWASMRLSWIX-QWHCGFSZSA-N 1 0 243.341 3.710 20 0 BHADRO C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@H]1CC=CCC1 ZINC000450714956 202242298 /nfs/dbraw/zinc/24/22/98/202242298.db2.gz MMERWASMRLSWIX-STQMWFEESA-N 1 0 243.341 3.710 20 0 BHADRO C[C@H]1CC[C@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000450718786 202245079 /nfs/dbraw/zinc/24/50/79/202245079.db2.gz OPEYHHQBEXKXOW-AAEUAGOBSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000450718787 202245531 /nfs/dbraw/zinc/24/55/31/202245531.db2.gz OPEYHHQBEXKXOW-DGCLKSJQSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CC[C@@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000450718788 202244752 /nfs/dbraw/zinc/24/47/52/202244752.db2.gz OPEYHHQBEXKXOW-WCQYABFASA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000450718789 202244808 /nfs/dbraw/zinc/24/48/08/202244808.db2.gz OPEYHHQBEXKXOW-YPMHNXCESA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)[C@@H]2CCCC[C@H]21 ZINC000450719146 202244972 /nfs/dbraw/zinc/24/49/72/202244972.db2.gz PVMQXWFEVSNGLF-KGYLQXTDSA-N 1 0 243.341 3.542 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)[C@@H]2CCCC[C@@H]21 ZINC000450719147 202243704 /nfs/dbraw/zinc/24/37/04/202243704.db2.gz PVMQXWFEVSNGLF-RAIGVLPGSA-N 1 0 243.341 3.542 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)[C@H]2CCCC[C@H]12 ZINC000450719148 202244592 /nfs/dbraw/zinc/24/45/92/202244592.db2.gz PVMQXWFEVSNGLF-RTXFEEFZSA-N 1 0 243.341 3.542 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)[C@H]2CCCC[C@@H]12 ZINC000450719149 202244169 /nfs/dbraw/zinc/24/41/69/202244169.db2.gz PVMQXWFEVSNGLF-WXHSDQCUSA-N 1 0 243.341 3.542 20 0 BHADRO c1cncc([C@@H]([NH2+]CC2=CCCCC2)C2CC2)c1 ZINC000450721351 202244589 /nfs/dbraw/zinc/24/45/89/202244589.db2.gz WZLVRLPIJGQFHI-INIZCTEOSA-N 1 0 242.366 3.623 20 0 BHADRO c1cncc([C@H]([NH2+]CC2=CCCCC2)C2CC2)c1 ZINC000450721352 202245036 /nfs/dbraw/zinc/24/50/36/202245036.db2.gz WZLVRLPIJGQFHI-MRXNPFEDSA-N 1 0 242.366 3.623 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCCC1)c1c(C)noc1C ZINC000450722481 202244276 /nfs/dbraw/zinc/24/42/76/202244276.db2.gz BYLBIPDSAAGJGB-AWEZNQCLSA-N 1 0 248.370 3.833 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCCC1)c1c(C)noc1C ZINC000450722482 202245416 /nfs/dbraw/zinc/24/54/16/202245416.db2.gz BYLBIPDSAAGJGB-CQSZACIVSA-N 1 0 248.370 3.833 20 0 BHADRO CCCC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC000450724236 202245934 /nfs/dbraw/zinc/24/59/34/202245934.db2.gz FXIYPDVTXVKHCT-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H]([NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC000450724238 202246491 /nfs/dbraw/zinc/24/64/91/202246491.db2.gz FXIYPDVTXVKHCT-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC2=CCCCC2)n1 ZINC000450725407 202247229 /nfs/dbraw/zinc/24/72/29/202247229.db2.gz CRQMFJZCEAPJSM-LLVKDONJSA-N 1 0 236.384 3.603 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC2=CCCCC2)n1 ZINC000450725408 386643803 /nfs/dbraw/zinc/64/38/03/386643803.db2.gz CRQMFJZCEAPJSM-NSHDSACASA-N 1 0 236.384 3.603 20 0 BHADRO CC(C)([NH2+]CC1CC(F)(F)C1)c1cccs1 ZINC000450725775 202246132 /nfs/dbraw/zinc/24/61/32/202246132.db2.gz DLZHFTASPFIBBC-UHFFFAOYSA-N 1 0 245.338 3.618 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCCC1)c1nccs1 ZINC000450726869 202247338 /nfs/dbraw/zinc/24/73/38/202247338.db2.gz LKAXMUDANUVWCZ-GFCCVEGCSA-N 1 0 236.384 3.684 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCCC1)c1nccs1 ZINC000450726871 411385979 /nfs/dbraw/zinc/38/59/79/411385979.db2.gz LKAXMUDANUVWCZ-LBPRGKRZSA-N 1 0 236.384 3.684 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cccc(C)n1)C1CCC1 ZINC000450729647 202248275 /nfs/dbraw/zinc/24/82/75/202248275.db2.gz SWFPPWRYEXLAPH-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cccc(C)n1)C1CCC1 ZINC000450729648 202249159 /nfs/dbraw/zinc/24/91/59/202249159.db2.gz SWFPPWRYEXLAPH-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CC2=CCCCC2)s1 ZINC000450741208 202251399 /nfs/dbraw/zinc/25/13/99/202251399.db2.gz WNKGVEYOTBMLLC-LLVKDONJSA-N 1 0 236.384 3.603 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CC2=CCCCC2)s1 ZINC000450741209 202251344 /nfs/dbraw/zinc/25/13/44/202251344.db2.gz WNKGVEYOTBMLLC-NSHDSACASA-N 1 0 236.384 3.603 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450743943 202252445 /nfs/dbraw/zinc/25/24/45/202252445.db2.gz KBNAPVRMNWBORO-GFCCVEGCSA-N 1 0 231.330 3.686 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450743944 202254675 /nfs/dbraw/zinc/25/46/75/202254675.db2.gz KBNAPVRMNWBORO-LBPRGKRZSA-N 1 0 231.330 3.686 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CC2=CCCCC2)cn1 ZINC000450744417 202254147 /nfs/dbraw/zinc/25/41/47/202254147.db2.gz MORJUVGQZUMHKE-UHFFFAOYSA-N 1 0 244.382 3.715 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cccc(C(C)=O)c1 ZINC000450745567 202254606 /nfs/dbraw/zinc/25/46/06/202254606.db2.gz FQTYWZQRJFEQPF-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000450748978 202256016 /nfs/dbraw/zinc/25/60/16/202256016.db2.gz WFFUSTUKJKGGQZ-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000450748979 202256650 /nfs/dbraw/zinc/25/66/50/202256650.db2.gz WFFUSTUKJKGGQZ-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(C(C)=O)cc1 ZINC000450749744 202255202 /nfs/dbraw/zinc/25/52/02/202255202.db2.gz ZGHYDIUXNXBCGR-UHFFFAOYSA-N 1 0 245.366 3.511 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450757376 202255630 /nfs/dbraw/zinc/25/56/30/202255630.db2.gz CJDPEEPUGKWPSY-GRYCIOLGSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450757377 202256683 /nfs/dbraw/zinc/25/66/83/202256683.db2.gz CJDPEEPUGKWPSY-IJLUTSLNSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450757380 202257231 /nfs/dbraw/zinc/25/72/31/202257231.db2.gz CJDPEEPUGKWPSY-QJPTWQEYSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450757382 202257298 /nfs/dbraw/zinc/25/72/98/202257298.db2.gz CJDPEEPUGKWPSY-SDDRHHMPSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450757500 202258042 /nfs/dbraw/zinc/25/80/42/202258042.db2.gz CMQPYBVULWULDU-BLLLJJGKSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450757502 202258518 /nfs/dbraw/zinc/25/85/18/202258518.db2.gz CMQPYBVULWULDU-LRDDRELGSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450757503 202257795 /nfs/dbraw/zinc/25/77/95/202257795.db2.gz CMQPYBVULWULDU-MLGOLLRUSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450757504 202258709 /nfs/dbraw/zinc/25/87/09/202258709.db2.gz CMQPYBVULWULDU-WBMJQRKESA-N 1 0 245.366 3.510 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CCCC2(CC2)C1 ZINC000450762636 202259562 /nfs/dbraw/zinc/25/95/62/202259562.db2.gz SJUMQTVVXPRSGJ-GFCCVEGCSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CCCC[C@H]1C[N@@H+]1CCCC2(CC2)C1 ZINC000450762637 202258732 /nfs/dbraw/zinc/25/87/32/202258732.db2.gz SJUMQTVVXPRSGJ-LBPRGKRZSA-N 1 0 243.341 3.688 20 0 BHADRO CC(=O)c1cccc(C[N@H+]2CCCC[C@@H](C)C2)c1 ZINC000450765292 202259230 /nfs/dbraw/zinc/25/92/30/202259230.db2.gz AOXFIQHEHRZLRK-CYBMUJFWSA-N 1 0 245.366 3.511 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1 ZINC000450767902 202260858 /nfs/dbraw/zinc/26/08/58/202260858.db2.gz CUWNADLZHPKYLC-CYBMUJFWSA-N 1 0 245.366 3.511 20 0 BHADRO CC(=O)c1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1 ZINC000450767903 202260795 /nfs/dbraw/zinc/26/07/95/202260795.db2.gz CUWNADLZHPKYLC-ZDUSSCGKSA-N 1 0 245.366 3.511 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450777714 202264849 /nfs/dbraw/zinc/26/48/49/202264849.db2.gz YIGYDKBFIOBVAI-BLLLJJGKSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450777715 386698644 /nfs/dbraw/zinc/69/86/44/386698644.db2.gz YIGYDKBFIOBVAI-LRDDRELGSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450777716 386699061 /nfs/dbraw/zinc/69/90/61/386699061.db2.gz YIGYDKBFIOBVAI-MLGOLLRUSA-N 1 0 245.366 3.510 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450777717 386698282 /nfs/dbraw/zinc/69/82/82/386698282.db2.gz YIGYDKBFIOBVAI-WBMJQRKESA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H]1CCCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450781237 202264307 /nfs/dbraw/zinc/26/43/07/202264307.db2.gz RPTDWWYJFPTQLT-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450781238 202264333 /nfs/dbraw/zinc/26/43/33/202264333.db2.gz RPTDWWYJFPTQLT-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450781239 202263711 /nfs/dbraw/zinc/26/37/11/202263711.db2.gz RPTDWWYJFPTQLT-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450781240 202263410 /nfs/dbraw/zinc/26/34/10/202263410.db2.gz RPTDWWYJFPTQLT-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000450782761 202265937 /nfs/dbraw/zinc/26/59/37/202265937.db2.gz YXUZEHIDRSFZLL-JHJVBQTASA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000450782762 202264948 /nfs/dbraw/zinc/26/49/48/202264948.db2.gz YXUZEHIDRSFZLL-UPJWGTAASA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000450782763 202264631 /nfs/dbraw/zinc/26/46/31/202264631.db2.gz YXUZEHIDRSFZLL-XQQFMLRXSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000450782764 202263730 /nfs/dbraw/zinc/26/37/30/202263730.db2.gz YXUZEHIDRSFZLL-YNEHKIRRSA-N 1 0 243.341 3.686 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450805354 202269937 /nfs/dbraw/zinc/26/99/37/202269937.db2.gz ALBIZRDCODLPSY-CMPLNLGQSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450805356 202270720 /nfs/dbraw/zinc/27/07/20/202270720.db2.gz ALBIZRDCODLPSY-JQWIXIFHSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450805358 202269478 /nfs/dbraw/zinc/26/94/78/202269478.db2.gz ALBIZRDCODLPSY-PWSUYJOCSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1CC(F)(F)C1 ZINC000450805361 202270316 /nfs/dbraw/zinc/27/03/16/202270316.db2.gz ALBIZRDCODLPSY-ZYHUDNBSSA-N 1 0 231.330 3.542 20 0 BHADRO CC1(C)CCCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450822177 202275439 /nfs/dbraw/zinc/27/54/39/202275439.db2.gz SQFYLSOYZYHVEJ-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)CC(C[N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000450824870 202277101 /nfs/dbraw/zinc/27/71/01/202277101.db2.gz FNVCITLTYBUTFJ-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000450852132 202287501 /nfs/dbraw/zinc/28/75/01/202287501.db2.gz DMVHISFZHYDIEN-AWEZNQCLSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000450852133 202288484 /nfs/dbraw/zinc/28/84/84/202288484.db2.gz DMVHISFZHYDIEN-CQSZACIVSA-N 1 0 246.398 3.696 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000450854417 202289306 /nfs/dbraw/zinc/28/93/06/202289306.db2.gz KGUKYRJRWPOSHB-BLLLJJGKSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc1 ZINC000450854418 202290255 /nfs/dbraw/zinc/29/02/55/202290255.db2.gz KGUKYRJRWPOSHB-LRDDRELGSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000450854419 202289786 /nfs/dbraw/zinc/28/97/86/202289786.db2.gz KGUKYRJRWPOSHB-MLGOLLRUSA-N 1 0 245.366 3.510 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000450854420 202290120 /nfs/dbraw/zinc/29/01/20/202290120.db2.gz KGUKYRJRWPOSHB-WBMJQRKESA-N 1 0 245.366 3.510 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC000450856957 386774447 /nfs/dbraw/zinc/77/44/47/386774447.db2.gz PQXHSQYLUGIAJT-GRYCIOLGSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC000450856958 386775549 /nfs/dbraw/zinc/77/55/49/386775549.db2.gz PQXHSQYLUGIAJT-IJLUTSLNSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC000450856960 386775344 /nfs/dbraw/zinc/77/53/44/386775344.db2.gz PQXHSQYLUGIAJT-UTUOFQBUSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC000450856962 219878732 /nfs/dbraw/zinc/87/87/32/219878732.db2.gz PQXHSQYLUGIAJT-WOPDTQHZSA-N 1 0 231.330 3.542 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450858727 202292657 /nfs/dbraw/zinc/29/26/57/202292657.db2.gz LWPFBMXJFOAKQP-GFCCVEGCSA-N 1 0 247.304 3.761 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450858731 202292563 /nfs/dbraw/zinc/29/25/63/202292563.db2.gz LWPFBMXJFOAKQP-LBPRGKRZSA-N 1 0 247.304 3.761 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450860681 202292081 /nfs/dbraw/zinc/29/20/81/202292081.db2.gz XLHXSAMEDXSOAM-NEPJUHHUSA-N 1 0 243.341 3.686 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450860683 202292320 /nfs/dbraw/zinc/29/23/20/202292320.db2.gz XLHXSAMEDXSOAM-NWDGAFQWSA-N 1 0 243.341 3.686 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450860685 202292216 /nfs/dbraw/zinc/29/22/16/202292216.db2.gz XLHXSAMEDXSOAM-RYUDHWBXSA-N 1 0 243.341 3.686 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450860688 202292549 /nfs/dbraw/zinc/29/25/49/202292549.db2.gz XLHXSAMEDXSOAM-VXGBXAGGSA-N 1 0 243.341 3.686 20 0 BHADRO CC(C)[N@H+](CC1CCC1)CC1CC(F)(F)C1 ZINC000450864615 202293942 /nfs/dbraw/zinc/29/39/42/202293942.db2.gz UPCKVIHMKQLUKX-UHFFFAOYSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)[N@H+](CC1CCC1)C[C@@H]1CCC(F)(F)C1 ZINC000450867071 202293619 /nfs/dbraw/zinc/29/36/19/202293619.db2.gz XVIFYNAPUFVODW-CYBMUJFWSA-N 1 0 245.357 3.932 20 0 BHADRO 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/nfs/dbraw/zinc/36/50/22/202365022.db2.gz NQPZVTHHVIGNDW-HOSYDEDBSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCC1CC1 ZINC000451147123 202365875 /nfs/dbraw/zinc/36/58/75/202365875.db2.gz NQPZVTHHVIGNDW-UMNHJUIQSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC1CCC1 ZINC000451149741 202364499 /nfs/dbraw/zinc/36/44/99/202364499.db2.gz UMXQRQVSECKQSB-HOSYDEDBSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC1CCC1 ZINC000451149742 202364406 /nfs/dbraw/zinc/36/44/06/202364406.db2.gz UMXQRQVSECKQSB-UMNHJUIQSA-N 1 0 249.320 3.838 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000451157508 202367236 /nfs/dbraw/zinc/36/72/36/202367236.db2.gz VYWHJTXJFVBOPN-BYNSBNAKSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000451157509 202367916 /nfs/dbraw/zinc/36/79/16/202367916.db2.gz VYWHJTXJFVBOPN-CBBWQLFWSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000451157510 202366762 /nfs/dbraw/zinc/36/67/62/202366762.db2.gz VYWHJTXJFVBOPN-LXTVHRRPSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000451157512 385663953 /nfs/dbraw/zinc/66/39/53/385663953.db2.gz VYWHJTXJFVBOPN-ZQDZILKHSA-N 1 0 247.382 3.520 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCCF)ccc1F ZINC000451163081 202368129 /nfs/dbraw/zinc/36/81/29/202368129.db2.gz OQLBYVZPUKDXCK-GFCCVEGCSA-N 1 0 241.325 3.925 20 0 BHADRO Cc1ccccc1CC[N@H+](C)CCCCCF ZINC000451166230 202366743 /nfs/dbraw/zinc/36/67/43/202366743.db2.gz NJAXLQXZMWHBBA-UHFFFAOYSA-N 1 0 237.362 3.609 20 0 BHADRO CC[C@@H](N[C@H](C)c1ccccc1F)C(F)F ZINC000451176498 202369354 /nfs/dbraw/zinc/36/93/54/202369354.db2.gz QDAPUZKPCGDZRT-LDYMZIIASA-N 1 0 231.261 3.520 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](F)C1 ZINC000451181410 202370155 /nfs/dbraw/zinc/37/01/55/202370155.db2.gz FOZGYCYADCRMKT-PSASIEDQSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](F)C1 ZINC000451181411 202369999 /nfs/dbraw/zinc/36/99/99/202369999.db2.gz FOZGYCYADCRMKT-SCZZXKLOSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](F)C1 ZINC000451181412 202369979 /nfs/dbraw/zinc/36/99/79/202369979.db2.gz FOZGYCYADCRMKT-WCBMZHEXSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](F)C1 ZINC000451181413 202370549 /nfs/dbraw/zinc/37/05/49/202370549.db2.gz FOZGYCYADCRMKT-WPRPVWTQSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCF ZINC000451182773 202370932 /nfs/dbraw/zinc/37/09/32/202370932.db2.gz JLTJTZREYKEIBK-IPYPFGDCSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCF ZINC000451182774 202373259 /nfs/dbraw/zinc/37/32/59/202373259.db2.gz JLTJTZREYKEIBK-NFAWXSAZSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCF ZINC000451182775 202372303 /nfs/dbraw/zinc/37/23/03/202372303.db2.gz JLTJTZREYKEIBK-UMVBOHGHSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCF ZINC000451182776 385668336 /nfs/dbraw/zinc/66/83/36/385668336.db2.gz JLTJTZREYKEIBK-VNHYZAJKSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)N1CC[C@H](F)C1 ZINC000451200082 202378319 /nfs/dbraw/zinc/37/83/19/202378319.db2.gz SCEDLOAEBMWENG-BDAKNGLRSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)N1CC[C@@H](F)C1 ZINC000451200083 202378845 /nfs/dbraw/zinc/37/88/45/202378845.db2.gz SCEDLOAEBMWENG-DTWKUNHWSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)N1CC[C@H](F)C1 ZINC000451200084 202378446 /nfs/dbraw/zinc/37/84/46/202378446.db2.gz SCEDLOAEBMWENG-IUCAKERBSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)N1CC[C@@H](F)C1 ZINC000451200085 202378141 /nfs/dbraw/zinc/37/81/41/202378141.db2.gz SCEDLOAEBMWENG-RKDXNWHRSA-N 1 0 245.700 3.584 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000451240612 202384141 /nfs/dbraw/zinc/38/41/41/202384141.db2.gz DEBKHYVGQZKASV-LLVKDONJSA-N 1 0 249.785 3.803 20 0 BHADRO C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000451240613 202384370 /nfs/dbraw/zinc/38/43/70/202384370.db2.gz DEBKHYVGQZKASV-NSHDSACASA-N 1 0 249.785 3.803 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccc1F ZINC000451262618 202391912 /nfs/dbraw/zinc/39/19/12/202391912.db2.gz GYVDKQTXUAXUEE-JKOKRWQUSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccc1F ZINC000451262620 202390929 /nfs/dbraw/zinc/39/09/29/202390929.db2.gz GYVDKQTXUAXUEE-OSMZGAPFSA-N 1 0 233.330 3.522 20 0 BHADRO CCC1([NH2+]Cc2nc(C)sc2C)CCCC1 ZINC000451274874 202391740 /nfs/dbraw/zinc/39/17/40/202391740.db2.gz KTILCSSPKANXNM-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CCC1([NH2+]CCCCOC(C)(C)C)CCCC1 ZINC000451275021 202391620 /nfs/dbraw/zinc/39/16/20/202391620.db2.gz LKGDWRDGYOOLEC-UHFFFAOYSA-N 1 0 241.419 3.894 20 0 BHADRO CCC1([NH2+]Cc2nc3ccccc3o2)CCCC1 ZINC000451276895 202393013 /nfs/dbraw/zinc/39/30/13/202393013.db2.gz PSSWJROTEYJOEV-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CCC1([NH2+]Cc2ccc(C)nc2C)CCCC1 ZINC000451279508 202395782 /nfs/dbraw/zinc/39/57/82/202395782.db2.gz XHWRYZDKRDHHEY-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1CCc1ccncc1 ZINC000451285853 385774633 /nfs/dbraw/zinc/77/46/33/385774633.db2.gz CEOIWMFYQDLSAH-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCc1ccncc1 ZINC000451285854 200744033 /nfs/dbraw/zinc/74/40/33/200744033.db2.gz CEOIWMFYQDLSAH-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1CCc1cccnc1 ZINC000451291041 202395956 /nfs/dbraw/zinc/39/59/56/202395956.db2.gz NCHDRSYSVGJPOK-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCc1cccnc1 ZINC000451291042 202398188 /nfs/dbraw/zinc/39/81/88/202398188.db2.gz NCHDRSYSVGJPOK-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCC(F)(F)F ZINC000451291744 202396660 /nfs/dbraw/zinc/39/66/60/202396660.db2.gz RIKOOOLAVXWCGM-LLVKDONJSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1CCC(F)(F)F ZINC000451291745 202398134 /nfs/dbraw/zinc/39/81/34/202398134.db2.gz RIKOOOLAVXWCGM-NSHDSACASA-N 1 0 237.309 3.839 20 0 BHADRO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC1 ZINC000451293292 202398199 /nfs/dbraw/zinc/39/81/99/202398199.db2.gz DBLOJDZCGSGJMA-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CCCC[C@@H]1C ZINC000451294319 202398505 /nfs/dbraw/zinc/39/85/05/202398505.db2.gz XKYJQDCSEWSVAQ-AYDFFVQHSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CCCC[C@H]1C ZINC000451294320 202397258 /nfs/dbraw/zinc/39/72/58/202397258.db2.gz XKYJQDCSEWSVAQ-CTASWTNQSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCCC[C@H]1C ZINC000451294321 202397448 /nfs/dbraw/zinc/39/74/48/202397448.db2.gz XKYJQDCSEWSVAQ-HLPPOEQASA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCCC[C@@H]1C ZINC000451294322 202396709 /nfs/dbraw/zinc/39/67/09/202396709.db2.gz XKYJQDCSEWSVAQ-TTZDDIAXSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1CCc1ccccn1 ZINC000451295557 397970503 /nfs/dbraw/zinc/97/05/03/397970503.db2.gz ZMQNEFXEVIVIQO-INIZCTEOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCc1ccccn1 ZINC000451295559 397970530 /nfs/dbraw/zinc/97/05/30/397970530.db2.gz ZMQNEFXEVIVIQO-MRXNPFEDSA-N 1 0 246.398 3.525 20 0 BHADRO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000451297919 202398761 /nfs/dbraw/zinc/39/87/61/202398761.db2.gz PCCHGVQGZURVPE-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO CCCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451306969 202399404 /nfs/dbraw/zinc/39/94/04/202399404.db2.gz TZEXDIOMVAJGRH-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](SC)C1 ZINC000451316715 388262557 /nfs/dbraw/zinc/26/25/57/388262557.db2.gz BFNDTIBPDRPNLD-KBPBESRZSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](SC)C1 ZINC000451316716 388262651 /nfs/dbraw/zinc/26/26/51/388262651.db2.gz BFNDTIBPDRPNLD-KGLIPLIRSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](SC)C1 ZINC000451316717 388262726 /nfs/dbraw/zinc/26/27/26/388262726.db2.gz BFNDTIBPDRPNLD-UONOGXRCSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](SC)C1 ZINC000451316718 388262452 /nfs/dbraw/zinc/26/24/52/388262452.db2.gz BFNDTIBPDRPNLD-ZIAGYGMSSA-N 1 0 235.396 3.575 20 0 BHADRO CS[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000451323560 397971883 /nfs/dbraw/zinc/97/18/83/397971883.db2.gz VCCKWGMHWNVTGU-DZGCQCFKSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000451323561 397972242 /nfs/dbraw/zinc/97/22/42/397972242.db2.gz VCCKWGMHWNVTGU-HIFRSBDPSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000451323562 397971970 /nfs/dbraw/zinc/97/19/70/397971970.db2.gz VCCKWGMHWNVTGU-UKRRQHHQSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000451323563 397972407 /nfs/dbraw/zinc/97/24/07/397972407.db2.gz VCCKWGMHWNVTGU-ZFWWWQNUSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000451328111 388263569 /nfs/dbraw/zinc/26/35/69/388263569.db2.gz UNJZJKFAMGDSSV-BOSPYUDASA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000451328112 388263454 /nfs/dbraw/zinc/26/34/54/388263454.db2.gz UNJZJKFAMGDSSV-FUVBFXSKSA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000451328113 388263026 /nfs/dbraw/zinc/26/30/26/388263026.db2.gz UNJZJKFAMGDSSV-HMZQOCAUSA-N 1 0 247.407 3.527 20 0 BHADRO CS[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000451328338 388263101 /nfs/dbraw/zinc/26/31/01/388263101.db2.gz UNJZJKFAMGDSSV-ZHMISCPASA-N 1 0 247.407 3.527 20 0 BHADRO FCC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000451386988 397973968 /nfs/dbraw/zinc/97/39/68/397973968.db2.gz BXVBBRDOYDWUCL-INIZCTEOSA-N 1 0 247.357 3.746 20 0 BHADRO FCC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000451386989 397973691 /nfs/dbraw/zinc/97/36/91/397973691.db2.gz BXVBBRDOYDWUCL-MRXNPFEDSA-N 1 0 247.357 3.746 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2CCC(CF)CC2)c1 ZINC000451387873 388268298 /nfs/dbraw/zinc/26/82/98/388268298.db2.gz HIEPVCYXKDVWGM-CYBMUJFWSA-N 1 0 235.346 3.738 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2CCC(CF)CC2)c1 ZINC000451387874 202412500 /nfs/dbraw/zinc/41/25/00/202412500.db2.gz HIEPVCYXKDVWGM-ZDUSSCGKSA-N 1 0 235.346 3.738 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(CF)CC1 ZINC000451388172 388268582 /nfs/dbraw/zinc/26/85/82/388268582.db2.gz JIQWZASRFIAJPW-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(CF)CC1 ZINC000451388173 388268603 /nfs/dbraw/zinc/26/86/03/388268603.db2.gz JIQWZASRFIAJPW-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CCC(CF)CC1 ZINC000451388998 202412576 /nfs/dbraw/zinc/41/25/76/202412576.db2.gz ONNOTSWQKUHHPP-HNNXBMFYSA-N 1 0 235.346 3.819 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CCC(CF)CC1 ZINC000451388999 202413493 /nfs/dbraw/zinc/41/34/93/202413493.db2.gz ONNOTSWQKUHHPP-OAHLLOKOSA-N 1 0 235.346 3.819 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCC(CF)CC1 ZINC000451389381 388268893 /nfs/dbraw/zinc/26/88/93/388268893.db2.gz SHDHXQBBYMVNNE-CYBMUJFWSA-N 1 0 235.346 3.738 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCC(CF)CC1 ZINC000451389382 388268357 /nfs/dbraw/zinc/26/83/57/388268357.db2.gz SHDHXQBBYMVNNE-ZDUSSCGKSA-N 1 0 235.346 3.738 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH+]1CCC(CF)CC1 ZINC000451389945 388268520 /nfs/dbraw/zinc/26/85/20/388268520.db2.gz XSNHOFYJYKFVQO-AWEZNQCLSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1CCC(CF)CC1 ZINC000451389946 202414302 /nfs/dbraw/zinc/41/43/02/202414302.db2.gz XSNHOFYJYKFVQO-CQSZACIVSA-N 1 0 249.373 3.689 20 0 BHADRO FCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000451390834 388268843 /nfs/dbraw/zinc/26/88/43/388268843.db2.gz DXNUTLXISYIKKG-UHFFFAOYSA-N 1 0 225.351 3.558 20 0 BHADRO FCC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000451393977 385812848 /nfs/dbraw/zinc/81/28/48/385812848.db2.gz NNQFBFKARZWKFH-XBXARRHUSA-N 1 0 247.357 3.771 20 0 BHADRO FCC1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000451393978 385812224 /nfs/dbraw/zinc/81/22/24/385812224.db2.gz NNQFBFKARZWKFH-YWEYNIOJSA-N 1 0 247.357 3.771 20 0 BHADRO FCC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000451397344 388269735 /nfs/dbraw/zinc/26/97/35/388269735.db2.gz ULFZCIAJEVUNFN-AWEZNQCLSA-N 1 0 225.351 3.557 20 0 BHADRO FCC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000451397345 202415792 /nfs/dbraw/zinc/41/57/92/202415792.db2.gz ULFZCIAJEVUNFN-CQSZACIVSA-N 1 0 225.351 3.557 20 0 BHADRO CCC[C@@H]([NH2+]CCCOC(C)C)C(C)(C)C ZINC000451416149 388270664 /nfs/dbraw/zinc/27/06/64/388270664.db2.gz AIDZRYOXIYAWBT-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H]([NH2+]CCCOC(C)C)C(C)(C)C ZINC000451416151 202419115 /nfs/dbraw/zinc/41/91/15/202419115.db2.gz AIDZRYOXIYAWBT-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H]([NH2+]CCCCCOC)C(C)(C)C ZINC000451417134 202418340 /nfs/dbraw/zinc/41/83/40/202418340.db2.gz BRRZEIXXNSSDAY-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCCCCOC)C(C)(C)C ZINC000451417135 388271441 /nfs/dbraw/zinc/27/14/41/388271441.db2.gz BRRZEIXXNSSDAY-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000451417389 388271432 /nfs/dbraw/zinc/27/14/32/388271432.db2.gz KQBKCXJTFFJAHA-GRYCIOLGSA-N 1 0 247.304 3.758 20 0 BHADRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000451417390 388271361 /nfs/dbraw/zinc/27/13/61/388271361.db2.gz KQBKCXJTFFJAHA-IJLUTSLNSA-N 1 0 247.304 3.758 20 0 BHADRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000451417391 388271059 /nfs/dbraw/zinc/27/10/59/388271059.db2.gz KQBKCXJTFFJAHA-UTUOFQBUSA-N 1 0 247.304 3.758 20 0 BHADRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000451417392 388270995 /nfs/dbraw/zinc/27/09/95/388270995.db2.gz KQBKCXJTFFJAHA-WOPDTQHZSA-N 1 0 247.304 3.758 20 0 BHADRO CCC[C@@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000451422562 202417184 /nfs/dbraw/zinc/41/71/84/202417184.db2.gz QFEIZRBXPUNBQH-CYBMUJFWSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000451422567 388271734 /nfs/dbraw/zinc/27/17/34/388271734.db2.gz QFEIZRBXPUNBQH-ZDUSSCGKSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC000451430557 388272216 /nfs/dbraw/zinc/27/22/16/388272216.db2.gz CZYGZRPWZHVDHU-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC000451430559 388271909 /nfs/dbraw/zinc/27/19/09/388271909.db2.gz CZYGZRPWZHVDHU-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)F)C(C)(C)C ZINC000451434251 388272836 /nfs/dbraw/zinc/27/28/36/388272836.db2.gz HWUBVHDIYGWOLC-GHMZBOCLSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)F)C(C)(C)C ZINC000451434253 388273253 /nfs/dbraw/zinc/27/32/53/388273253.db2.gz HWUBVHDIYGWOLC-MNOVXSKESA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)F)C(C)(C)C ZINC000451434254 388273209 /nfs/dbraw/zinc/27/32/09/388273209.db2.gz HWUBVHDIYGWOLC-QWRGUYRKSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)F)C(C)(C)C ZINC000451434256 388273201 /nfs/dbraw/zinc/27/32/01/388273201.db2.gz HWUBVHDIYGWOLC-WDEREUQCSA-N 1 0 203.345 3.539 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)OC)C(C)(C)C ZINC000451434759 388273071 /nfs/dbraw/zinc/27/30/71/388273071.db2.gz IMUIPMUKAPWGBU-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)OC)C(C)(C)C ZINC000451434760 202419471 /nfs/dbraw/zinc/41/94/71/202419471.db2.gz IMUIPMUKAPWGBU-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccc(C)n1)C(C)(C)C ZINC000451435750 388273112 /nfs/dbraw/zinc/27/31/12/388273112.db2.gz JLAPQTWJYAZLLO-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccc(C)n1)C(C)(C)C ZINC000451435751 388273064 /nfs/dbraw/zinc/27/30/64/388273064.db2.gz JLAPQTWJYAZLLO-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)C(C)(C)C ZINC000451435770 388273199 /nfs/dbraw/zinc/27/31/99/388273199.db2.gz JOWXJJOGMUAZJQ-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)C(C)(C)C ZINC000451435771 388273036 /nfs/dbraw/zinc/27/30/36/388273036.db2.gz JOWXJJOGMUAZJQ-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nc(C)c(C)o1)C(C)(C)C ZINC000451436215 388273067 /nfs/dbraw/zinc/27/30/67/388273067.db2.gz JWEJGFRXBPHMRG-GFCCVEGCSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1nc(C)c(C)o1)C(C)(C)C ZINC000451436216 388272917 /nfs/dbraw/zinc/27/29/17/388272917.db2.gz JWEJGFRXBPHMRG-LBPRGKRZSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@@H]([NH2+]CCCSC)C(C)(C)C ZINC000451436629 388273151 /nfs/dbraw/zinc/27/31/51/388273151.db2.gz KQBIWJNYNYDMMC-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@H]([NH2+]CCCSC)C(C)(C)C ZINC000451436672 388273102 /nfs/dbraw/zinc/27/31/02/388273102.db2.gz KQBIWJNYNYDMMC-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)C(C)(C)C ZINC000451441380 202422013 /nfs/dbraw/zinc/42/20/13/202422013.db2.gz ROEVVPGNFQUUQV-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)C(C)(C)C ZINC000451441381 388274079 /nfs/dbraw/zinc/27/40/79/388274079.db2.gz ROEVVPGNFQUUQV-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CCC[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C ZINC000451441536 202419634 /nfs/dbraw/zinc/41/96/34/202419634.db2.gz RVGUGBSJEQUIPG-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C ZINC000451441537 388272054 /nfs/dbraw/zinc/27/20/54/388272054.db2.gz RVGUGBSJEQUIPG-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H]([NH2+]CCCc1ccncc1)C(C)(C)C ZINC000451441705 388273875 /nfs/dbraw/zinc/27/38/75/388273875.db2.gz SQYOFZDPLPCCFW-HNNXBMFYSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H]([NH2+]CCCc1ccncc1)C(C)(C)C ZINC000451441706 388273808 /nfs/dbraw/zinc/27/38/08/388273808.db2.gz SQYOFZDPLPCCFW-OAHLLOKOSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@H]([NH2+]Cc1cncc(C)c1)C(C)(C)C ZINC000451442152 388273861 /nfs/dbraw/zinc/27/38/61/388273861.db2.gz UITSJNJPYLEVHH-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cncc(C)c1)C(C)(C)C ZINC000451442153 388273828 /nfs/dbraw/zinc/27/38/28/388273828.db2.gz UITSJNJPYLEVHH-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000451442283 388273993 /nfs/dbraw/zinc/27/39/93/388273993.db2.gz VEVVGIQAMZWVDT-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)(C)C ZINC000451442284 202421061 /nfs/dbraw/zinc/42/10/61/202421061.db2.gz VEVVGIQAMZWVDT-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)(C)C ZINC000451442285 202419531 /nfs/dbraw/zinc/41/95/31/202419531.db2.gz VEVVGIQAMZWVDT-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000451442286 202420919 /nfs/dbraw/zinc/42/09/19/202420919.db2.gz VEVVGIQAMZWVDT-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(OCC)C1)C(C)(C)C ZINC000451442432 388273825 /nfs/dbraw/zinc/27/38/25/388273825.db2.gz VZAHUDBZBFIWFT-JXQTWKCFSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(OCC)C1)C(C)(C)C ZINC000451442433 202421555 /nfs/dbraw/zinc/42/15/55/202421555.db2.gz VZAHUDBZBFIWFT-RUXDESIVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC000451443346 388273985 /nfs/dbraw/zinc/27/39/85/388273985.db2.gz YSYWLZZLIIKSDG-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC000451443347 388273637 /nfs/dbraw/zinc/27/36/37/388273637.db2.gz YSYWLZZLIIKSDG-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000451443702 388273720 /nfs/dbraw/zinc/27/37/20/388273720.db2.gz ZVYHSJTXYNVPIX-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000451443703 388273907 /nfs/dbraw/zinc/27/39/07/388273907.db2.gz ZVYHSJTXYNVPIX-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451451311 202424307 /nfs/dbraw/zinc/42/43/07/202424307.db2.gz AOBPLRPXNGLJNV-DHCBQETCSA-N 1 0 207.361 3.655 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451451312 202426047 /nfs/dbraw/zinc/42/60/47/202426047.db2.gz AOBPLRPXNGLJNV-ITDFMYJTSA-N 1 0 207.361 3.655 20 0 BHADRO CC/C=C/CC[NH2+][C@H]1CCC12CCCC2 ZINC000451451313 202424999 /nfs/dbraw/zinc/42/49/99/202424999.db2.gz AOBPLRPXNGLJNV-OOPCZODUSA-N 1 0 207.361 3.655 20 0 BHADRO CC/C=C\CC[NH2+][C@H]1CCC12CCCC2 ZINC000451451314 388275054 /nfs/dbraw/zinc/27/50/54/388275054.db2.gz AOBPLRPXNGLJNV-SCOBNMCVSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)c(C)n1 ZINC000451453500 388275140 /nfs/dbraw/zinc/27/51/40/388275140.db2.gz GSKPTZDGUQHWLH-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)c(C)n1 ZINC000451453502 388274468 /nfs/dbraw/zinc/27/44/68/388274468.db2.gz GSKPTZDGUQHWLH-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000451454166 202424995 /nfs/dbraw/zinc/42/49/95/202424995.db2.gz HQVYCSJIKVNPIQ-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000451454168 388274587 /nfs/dbraw/zinc/27/45/87/388274587.db2.gz HQVYCSJIKVNPIQ-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000451454169 388274768 /nfs/dbraw/zinc/27/47/68/388274768.db2.gz HQVYCSJIKVNPIQ-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000451454170 388274775 /nfs/dbraw/zinc/27/47/75/388274775.db2.gz HQVYCSJIKVNPIQ-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO c1cc(CCC[NH2+][C@H]2CCC23CCCC3)cs1 ZINC000451463620 388275882 /nfs/dbraw/zinc/27/58/82/388275882.db2.gz XSWRXEVBSFCYSP-AWEZNQCLSA-N 1 0 249.423 3.993 20 0 BHADRO c1cc(CCC[NH2+][C@@H]2CCC23CCCC3)cs1 ZINC000451463621 388275453 /nfs/dbraw/zinc/27/54/53/388275453.db2.gz XSWRXEVBSFCYSP-CQSZACIVSA-N 1 0 249.423 3.993 20 0 BHADRO CCO[C@H]1CC[N@H+](CCC(C)(C)CC)C[C@@H]1C ZINC000451523096 388278910 /nfs/dbraw/zinc/27/89/10/388278910.db2.gz CJKBYOYPVVUKRO-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@H]1CC[N@H+](CCC(C)(C)CC)C[C@H]1C ZINC000451523097 388279148 /nfs/dbraw/zinc/27/91/48/388279148.db2.gz CJKBYOYPVVUKRO-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@@H]1CC[N@H+](CCC(C)(C)CC)C[C@@H]1C ZINC000451523098 388279447 /nfs/dbraw/zinc/27/94/47/388279447.db2.gz CJKBYOYPVVUKRO-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@@H]1CC[N@H+](CCC(C)(C)CC)C[C@H]1C ZINC000451523099 388279397 /nfs/dbraw/zinc/27/93/97/388279397.db2.gz CJKBYOYPVVUKRO-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@H]1CC[N@H+](CCCC(C)(C)C)C[C@@H]1C ZINC000451547457 397975284 /nfs/dbraw/zinc/97/52/84/397975284.db2.gz UAYGGQPMIMCROU-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@H]1CC[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC000451547458 202438761 /nfs/dbraw/zinc/43/87/61/202438761.db2.gz UAYGGQPMIMCROU-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@@H]1CC[N@H+](CCCC(C)(C)C)C[C@@H]1C ZINC000451547459 397975140 /nfs/dbraw/zinc/97/51/40/397975140.db2.gz UAYGGQPMIMCROU-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO CCO[C@@H]1CC[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC000451547460 202439791 /nfs/dbraw/zinc/43/97/91/202439791.db2.gz UAYGGQPMIMCROU-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451553170 397977202 /nfs/dbraw/zinc/97/72/02/397977202.db2.gz NQUQGENRQTYOTK-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451553172 206108110 /nfs/dbraw/zinc/10/81/10/206108110.db2.gz NQUQGENRQTYOTK-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO CO[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC000451554296 388281304 /nfs/dbraw/zinc/28/13/04/388281304.db2.gz DTTCBKOFQNUGMR-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CO[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC000451554298 202434657 /nfs/dbraw/zinc/43/46/57/202434657.db2.gz DTTCBKOFQNUGMR-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO c1coc([C@H]2[N@H+]([C@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827615 388299325 /nfs/dbraw/zinc/29/93/25/388299325.db2.gz AEEMMIKGUCNEFN-DZGCQCFKSA-N 1 0 243.350 3.915 20 0 BHADRO c1coc([C@@H]2[N@H+]([C@@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827617 388298865 /nfs/dbraw/zinc/29/88/65/388298865.db2.gz AEEMMIKGUCNEFN-HIFRSBDPSA-N 1 0 243.350 3.915 20 0 BHADRO c1coc([C@H]2[N@H+]([C@@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827619 388299266 /nfs/dbraw/zinc/29/92/66/388299266.db2.gz AEEMMIKGUCNEFN-UKRRQHHQSA-N 1 0 243.350 3.915 20 0 BHADRO c1coc([C@@H]2[N@H+]([C@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827622 388299094 /nfs/dbraw/zinc/29/90/94/388299094.db2.gz AEEMMIKGUCNEFN-ZFWWWQNUSA-N 1 0 243.350 3.915 20 0 BHADRO CCCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451828165 388299155 /nfs/dbraw/zinc/29/91/55/388299155.db2.gz AXNVYNQDZNRFSK-AWEZNQCLSA-N 1 0 233.355 3.997 20 0 BHADRO CCCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451828173 388299059 /nfs/dbraw/zinc/29/90/59/388299059.db2.gz AXNVYNQDZNRFSK-CQSZACIVSA-N 1 0 233.355 3.997 20 0 BHADRO CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830777 388299175 /nfs/dbraw/zinc/29/91/75/388299175.db2.gz DRKCJEHUGQZNTM-CYBMUJFWSA-N 1 0 219.328 3.607 20 0 BHADRO CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830780 388298976 /nfs/dbraw/zinc/29/89/76/388298976.db2.gz DRKCJEHUGQZNTM-ZDUSSCGKSA-N 1 0 219.328 3.607 20 0 BHADRO FCCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451840666 388299629 /nfs/dbraw/zinc/29/96/29/388299629.db2.gz DDSSAHSPAQWJDM-CYBMUJFWSA-N 1 0 237.318 3.556 20 0 BHADRO FCCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451840667 388299697 /nfs/dbraw/zinc/29/96/97/388299697.db2.gz DDSSAHSPAQWJDM-ZDUSSCGKSA-N 1 0 237.318 3.556 20 0 BHADRO CC[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451850099 388300590 /nfs/dbraw/zinc/30/05/90/388300590.db2.gz HXTOQEWUQYLDKU-AAEUAGOBSA-N 1 0 219.328 3.605 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451850109 388300394 /nfs/dbraw/zinc/30/03/94/388300394.db2.gz HXTOQEWUQYLDKU-DGCLKSJQSA-N 1 0 219.328 3.605 20 0 BHADRO CC[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451850110 388300187 /nfs/dbraw/zinc/30/01/87/388300187.db2.gz HXTOQEWUQYLDKU-WCQYABFASA-N 1 0 219.328 3.605 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451850112 388300316 /nfs/dbraw/zinc/30/03/16/388300316.db2.gz HXTOQEWUQYLDKU-YPMHNXCESA-N 1 0 219.328 3.605 20 0 BHADRO c1coc([C@@H]2[N@H+](CC3CCC3)CC23CCC3)c1 ZINC000451853517 385767653 /nfs/dbraw/zinc/76/76/53/385767653.db2.gz LPPHTGYSXMNOKZ-AWEZNQCLSA-N 1 0 231.339 3.607 20 0 BHADRO c1coc([C@H]2[N@H+](CC3CCC3)CC23CCC3)c1 ZINC000451853518 385769693 /nfs/dbraw/zinc/76/96/93/385769693.db2.gz LPPHTGYSXMNOKZ-CQSZACIVSA-N 1 0 231.339 3.607 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858893 388301092 /nfs/dbraw/zinc/30/10/92/388301092.db2.gz SAAUQIRTQAQUBP-GXTWGEPZSA-N 1 0 233.355 3.995 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858894 388301401 /nfs/dbraw/zinc/30/14/01/388301401.db2.gz SAAUQIRTQAQUBP-JSGCOSHPSA-N 1 0 233.355 3.995 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858895 388301454 /nfs/dbraw/zinc/30/14/54/388301454.db2.gz SAAUQIRTQAQUBP-OCCSQVGLSA-N 1 0 233.355 3.995 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858896 388301009 /nfs/dbraw/zinc/30/10/09/388301009.db2.gz SAAUQIRTQAQUBP-TZMCWYRMSA-N 1 0 233.355 3.995 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451861938 385802086 /nfs/dbraw/zinc/80/20/86/385802086.db2.gz VEPQCTJZZXXEGW-AAEUAGOBSA-N 1 0 237.318 3.555 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451861942 385803287 /nfs/dbraw/zinc/80/32/87/385803287.db2.gz VEPQCTJZZXXEGW-DGCLKSJQSA-N 1 0 237.318 3.555 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451861946 385803172 /nfs/dbraw/zinc/80/31/72/385803172.db2.gz VEPQCTJZZXXEGW-WCQYABFASA-N 1 0 237.318 3.555 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451861947 385804604 /nfs/dbraw/zinc/80/46/04/385804604.db2.gz VEPQCTJZZXXEGW-YPMHNXCESA-N 1 0 237.318 3.555 20 0 BHADRO C[C@@H]([NH2+]CCCCOC(C)(C)C)C1CCCC1 ZINC000451947004 387686324 /nfs/dbraw/zinc/68/63/24/387686324.db2.gz OCXGBIKRSJXDJA-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@H+](CCCc2ccncc2)C1 ZINC000451951846 387685377 /nfs/dbraw/zinc/68/53/77/387685377.db2.gz DQZREHHXLGJZLT-LSDHHAIUSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000451955928 387686872 /nfs/dbraw/zinc/68/68/72/387686872.db2.gz QFMGRLORBHMHFN-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC000451957421 387687236 /nfs/dbraw/zinc/68/72/36/387687236.db2.gz UKLKYAZTVAKKBG-WDEREUQCSA-N 1 0 231.330 3.542 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451961612 387688801 /nfs/dbraw/zinc/68/88/01/387688801.db2.gz DPXFTBKQNSVDKI-NQHOJNORSA-N 1 0 239.428 3.562 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451961613 387688511 /nfs/dbraw/zinc/68/85/11/387688511.db2.gz DPXFTBKQNSVDKI-RDFMZFSFSA-N 1 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BHADRO COCc1ccc(C[N@@H+]2[C@@H](C)CCC2(C)C)cc1 ZINC000452003205 387695260 /nfs/dbraw/zinc/69/52/60/387695260.db2.gz FWYATHZOZSCTKH-ZDUSSCGKSA-N 1 0 247.382 3.596 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1CCCCC(F)(F)F ZINC000452004502 202508890 /nfs/dbraw/zinc/50/88/90/202508890.db2.gz HYGGRPZXJPTEIR-JTQLQIEISA-N 1 0 237.309 3.982 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1CCCCC(F)(F)F ZINC000452004503 387695186 /nfs/dbraw/zinc/69/51/86/387695186.db2.gz HYGGRPZXJPTEIR-SNVBAGLBSA-N 1 0 237.309 3.982 20 0 BHADRO COCc1cccc(C[N@@H+]2[C@H](C)CCC2(C)C)c1 ZINC000452004504 387696772 /nfs/dbraw/zinc/69/67/72/387696772.db2.gz HYUMJMDQHHEHAC-CYBMUJFWSA-N 1 0 247.382 3.596 20 0 BHADRO COCc1cccc(C[N@@H+]2[C@@H](C)CCC2(C)C)c1 ZINC000452004505 387694627 /nfs/dbraw/zinc/69/46/27/387694627.db2.gz HYUMJMDQHHEHAC-ZDUSSCGKSA-N 1 0 247.382 3.596 20 0 BHADRO Cc1nc(C)c(C[N@@H+]2[C@H](C)CCC2(C)C)s1 ZINC000452005034 387694658 /nfs/dbraw/zinc/69/46/58/387694658.db2.gz IVHFEBXNSIZJQL-SECBINFHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C)c(C[N@@H+]2[C@@H](C)CCC2(C)C)s1 ZINC000452005037 387694540 /nfs/dbraw/zinc/69/45/40/387694540.db2.gz IVHFEBXNSIZJQL-VIFPVBQESA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[N@@H+]2[C@H](C)CCC2(C)C)sc1C ZINC000452005407 202510036 /nfs/dbraw/zinc/51/00/36/202510036.db2.gz JUQRDHZBNCUPBJ-SECBINFHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[N@@H+]2[C@@H](C)CCC2(C)C)sc1C ZINC000452005408 387696583 /nfs/dbraw/zinc/69/65/83/387696583.db2.gz JUQRDHZBNCUPBJ-VIFPVBQESA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[N@@H+]2[C@H](C)CCC2(C)C)c(C)s1 ZINC000452006264 387699278 /nfs/dbraw/zinc/69/92/78/387699278.db2.gz LGJCJJKDCKCEIU-SECBINFHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nc(C[N@@H+]2[C@@H](C)CCC2(C)C)c(C)s1 ZINC000452006265 387700149 /nfs/dbraw/zinc/70/01/49/387700149.db2.gz LGJCJJKDCKCEIU-VIFPVBQESA-N 1 0 238.400 3.523 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000452008356 488123109 /nfs/dbraw/zinc/12/31/09/488123109.db2.gz ORYBQZSNCOKHOG-GHMZBOCLSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000452008357 488123188 /nfs/dbraw/zinc/12/31/88/488123188.db2.gz ORYBQZSNCOKHOG-MNOVXSKESA-N 1 0 231.330 3.685 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000452008358 488123178 /nfs/dbraw/zinc/12/31/78/488123178.db2.gz ORYBQZSNCOKHOG-QWRGUYRKSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000452008359 488123095 /nfs/dbraw/zinc/12/30/95/488123095.db2.gz ORYBQZSNCOKHOG-WDEREUQCSA-N 1 0 231.330 3.685 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)c1ccccc1 ZINC000452014800 387701215 /nfs/dbraw/zinc/70/12/15/387701215.db2.gz HUQKOTBASQHYRL-ARFHVFGLSA-N 1 0 247.382 3.685 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CC)c1ccccc1 ZINC000452014801 387701147 /nfs/dbraw/zinc/70/11/47/387701147.db2.gz HUQKOTBASQHYRL-BZUAXINKSA-N 1 0 247.382 3.685 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000452015552 387702445 /nfs/dbraw/zinc/70/24/45/387702445.db2.gz MKWRFUSDBYHLBU-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000452015556 386111781 /nfs/dbraw/zinc/11/17/81/386111781.db2.gz MKWRFUSDBYHLBU-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO CCCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452017470 387700859 /nfs/dbraw/zinc/70/08/59/387700859.db2.gz NLQXSNABBMIWIT-SHTZXODSSA-N 1 0 247.382 3.673 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000452018277 202511337 /nfs/dbraw/zinc/51/13/37/202511337.db2.gz QIRPHTWOOIRZKI-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000452018278 387702255 /nfs/dbraw/zinc/70/22/55/387702255.db2.gz QIRPHTWOOIRZKI-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1CCCCOC(C)(C)C ZINC000452019054 387701879 /nfs/dbraw/zinc/70/18/79/387701879.db2.gz YKTDPLAVLRIXEY-CYBMUJFWSA-N 1 0 241.419 3.845 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1CCCCOC(C)(C)C ZINC000452019057 387702756 /nfs/dbraw/zinc/70/27/56/387702756.db2.gz YKTDPLAVLRIXEY-ZDUSSCGKSA-N 1 0 241.419 3.845 20 0 BHADRO COCCCCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000452043584 387710386 /nfs/dbraw/zinc/71/03/86/387710386.db2.gz PSYMXYVEUKMGMC-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@H]1CCC[C@H](C)C1 ZINC000452055458 387716069 /nfs/dbraw/zinc/71/60/69/387716069.db2.gz BYVSZSUHXUSQNB-AVGNSLFASA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]([NH2+]CCCCF)[C@@H]1CCC[C@H](C)C1 ZINC000452055459 387716503 /nfs/dbraw/zinc/71/65/03/387716503.db2.gz BYVSZSUHXUSQNB-RWMBFGLXSA-N 1 0 215.356 3.541 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@H](C)C1 ZINC000452058708 202519467 /nfs/dbraw/zinc/51/94/67/202519467.db2.gz IXWREWBBZPZTHE-GMXVVIOVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[C@H](C)C1 ZINC000452058710 387718782 /nfs/dbraw/zinc/71/87/82/387718782.db2.gz IXWREWBBZPZTHE-GVXVVHGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[C@@H](C)C1 ZINC000452058711 202518648 /nfs/dbraw/zinc/51/86/48/202518648.db2.gz IXWREWBBZPZTHE-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000452058713 387719728 /nfs/dbraw/zinc/71/97/28/387719728.db2.gz IXWREWBBZPZTHE-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452060067 387719964 /nfs/dbraw/zinc/71/99/64/387719964.db2.gz LNXFUDVVONRCJI-CYDGBPFRSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452060077 202520286 /nfs/dbraw/zinc/52/02/86/202520286.db2.gz LNXFUDVVONRCJI-MROQNXINSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452060079 387719922 /nfs/dbraw/zinc/71/99/22/387719922.db2.gz LNXFUDVVONRCJI-VOAKCMCISA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452060081 387719882 /nfs/dbraw/zinc/71/98/82/387719882.db2.gz LNXFUDVVONRCJI-ZDEQEGDKSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000452060576 387719388 /nfs/dbraw/zinc/71/93/88/387719388.db2.gz NCNYABJQWIKCAN-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000452060577 387719947 /nfs/dbraw/zinc/71/99/47/387719947.db2.gz NCNYABJQWIKCAN-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000452060578 387719104 /nfs/dbraw/zinc/71/91/04/387719104.db2.gz NCNYABJQWIKCAN-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000452060579 387720037 /nfs/dbraw/zinc/72/00/37/387720037.db2.gz NCNYABJQWIKCAN-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000452062830 202519736 /nfs/dbraw/zinc/51/97/36/202519736.db2.gz ULZZNDWCILAGGB-DUVNUKRYSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000452062831 387720158 /nfs/dbraw/zinc/72/01/58/387720158.db2.gz ULZZNDWCILAGGB-INWMFGNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000452062832 202520443 /nfs/dbraw/zinc/52/04/43/202520443.db2.gz ULZZNDWCILAGGB-IVMMDQJWSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000452062833 387718345 /nfs/dbraw/zinc/71/83/45/387718345.db2.gz ULZZNDWCILAGGB-NOLJZWGESA-N 1 0 246.398 3.694 20 0 BHADRO COCCCCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452064588 387720141 /nfs/dbraw/zinc/72/01/41/387720141.db2.gz GKJINMKLFGUVSJ-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452064589 387718610 /nfs/dbraw/zinc/71/86/10/387718610.db2.gz GKJINMKLFGUVSJ-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452064590 387718775 /nfs/dbraw/zinc/71/87/75/387718775.db2.gz GKJINMKLFGUVSJ-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO COCCCCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452064591 387720001 /nfs/dbraw/zinc/72/00/01/387720001.db2.gz GKJINMKLFGUVSJ-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000452064601 387720131 /nfs/dbraw/zinc/72/01/31/387720131.db2.gz GMYUSNXLBQKPKM-HGTKMLMNSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000452064603 387718753 /nfs/dbraw/zinc/71/87/53/387718753.db2.gz GMYUSNXLBQKPKM-HOSILWTGSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000452064605 387720452 /nfs/dbraw/zinc/72/04/52/387720452.db2.gz GMYUSNXLBQKPKM-NYTXWWLZSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccncc1 ZINC000452064607 387718933 /nfs/dbraw/zinc/71/89/33/387718933.db2.gz GMYUSNXLBQKPKM-ORIJERBGSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000452066358 387722890 /nfs/dbraw/zinc/72/28/90/387722890.db2.gz KWSBOGGDDQGNIV-BARDWOONSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000452066359 387723716 /nfs/dbraw/zinc/72/37/16/387723716.db2.gz KWSBOGGDDQGNIV-CBBWQLFWSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000452066360 200759208 /nfs/dbraw/zinc/75/92/08/200759208.db2.gz KWSBOGGDDQGNIV-LXTVHRRPSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1cccnc1 ZINC000452066361 386223053 /nfs/dbraw/zinc/22/30/53/386223053.db2.gz KWSBOGGDDQGNIV-QPSCCSFWSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)(C)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000452067231 387722199 /nfs/dbraw/zinc/72/21/99/387722199.db2.gz ADCUEQWSDFZJPC-LLVKDONJSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000452067232 387723547 /nfs/dbraw/zinc/72/35/47/387723547.db2.gz ADCUEQWSDFZJPC-NSHDSACASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[C@H](C)C1 ZINC000452074257 387725426 /nfs/dbraw/zinc/72/54/26/387725426.db2.gz WOULGSZBWVXHIQ-DCAQKATOSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[C@H](C)C1 ZINC000452074263 387726285 /nfs/dbraw/zinc/72/62/85/387726285.db2.gz WOULGSZBWVXHIQ-GARJFASQSA-N 1 0 237.309 3.743 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000452077444 387729276 /nfs/dbraw/zinc/72/92/76/387729276.db2.gz KOBGLEXHYFSEHO-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)n1 ZINC000452077446 387728761 /nfs/dbraw/zinc/72/87/61/387728761.db2.gz KOBGLEXHYFSEHO-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)(C)C[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000452078891 387729648 /nfs/dbraw/zinc/72/96/48/387729648.db2.gz MNDXLEYFJPSMBV-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)C[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000452078898 387727978 /nfs/dbraw/zinc/72/79/78/387727978.db2.gz MNDXLEYFJPSMBV-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452080747 387727258 /nfs/dbraw/zinc/72/72/58/387727258.db2.gz PFWMDGSYZDOQSY-KBPBESRZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452080755 387728371 /nfs/dbraw/zinc/72/83/71/387728371.db2.gz PFWMDGSYZDOQSY-KGLIPLIRSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452080757 387728987 /nfs/dbraw/zinc/72/89/87/387728987.db2.gz PFWMDGSYZDOQSY-UONOGXRCSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452080759 387728602 /nfs/dbraw/zinc/72/86/02/387728602.db2.gz PFWMDGSYZDOQSY-ZIAGYGMSSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cncc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000452085738 387731913 /nfs/dbraw/zinc/73/19/13/387731913.db2.gz WOGUIHLHUISOLH-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cncc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c1 ZINC000452085740 387733062 /nfs/dbraw/zinc/73/30/62/387733062.db2.gz WOGUIHLHUISOLH-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452085891 386282426 /nfs/dbraw/zinc/28/24/26/386282426.db2.gz WUJWBRVMZFYIJX-KBPBESRZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452085912 386280957 /nfs/dbraw/zinc/28/09/57/386280957.db2.gz WUJWBRVMZFYIJX-KGLIPLIRSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452085914 386281744 /nfs/dbraw/zinc/28/17/44/386281744.db2.gz WUJWBRVMZFYIJX-UONOGXRCSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452085918 386280668 /nfs/dbraw/zinc/28/06/68/386280668.db2.gz WUJWBRVMZFYIJX-ZIAGYGMSSA-N 1 0 246.398 3.901 20 0 BHADRO COCCCCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452100586 387734745 /nfs/dbraw/zinc/73/47/45/387734745.db2.gz DWHPIOOMJXOKCI-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)[N@@H+](CC[C@@H](C)F)C1CC(C)(C)C1 ZINC000452102691 387738858 /nfs/dbraw/zinc/73/88/58/387738858.db2.gz GTFADALCLUINSR-LLVKDONJSA-N 1 0 215.356 3.634 20 0 BHADRO CC(C)[N@@H+](CC[C@H](C)F)C1CC(C)(C)C1 ZINC000452102693 387738188 /nfs/dbraw/zinc/73/81/88/387738188.db2.gz GTFADALCLUINSR-NSHDSACASA-N 1 0 215.356 3.634 20 0 BHADRO CC(C)[N@H+](CCc1ccncc1)C1CC(C)(C)C1 ZINC000452103299 387738342 /nfs/dbraw/zinc/73/83/42/387738342.db2.gz KGWWQUHAUIUQPB-UHFFFAOYSA-N 1 0 246.398 3.523 20 0 BHADRO CC(C)[N@H+](CCCCF)C1CC(C)(C)C1 ZINC000452103340 387738205 /nfs/dbraw/zinc/73/82/05/387738205.db2.gz HWIQGZQWDKUHEU-UHFFFAOYSA-N 1 0 215.356 3.635 20 0 BHADRO Cc1cccc(C[N@@H+](C(C)C)C2CC(C)(C)C2)n1 ZINC000452103525 387739077 /nfs/dbraw/zinc/73/90/77/387739077.db2.gz KLHIJGLPIKYYSC-UHFFFAOYSA-N 1 0 246.398 3.789 20 0 BHADRO CC(C)[N@H+](CC1CC(F)(F)C1)C1CC(C)(C)C1 ZINC000452104284 387737146 /nfs/dbraw/zinc/73/71/46/387737146.db2.gz JUKOHJRNRPKSBV-UHFFFAOYSA-N 1 0 245.357 3.931 20 0 BHADRO CCC(=O)CCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452104315 387737116 /nfs/dbraw/zinc/73/71/16/387737116.db2.gz KAVMZOBMPWCKHW-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO CC(C)[N@H+](CCc1ccccn1)C1CC(C)(C)C1 ZINC000452105809 387737502 /nfs/dbraw/zinc/73/75/02/387737502.db2.gz ORZDBRFPERTXRQ-UHFFFAOYSA-N 1 0 246.398 3.523 20 0 BHADRO CC(C)[N@H+](CCC(F)(F)F)C1CC(C)(C)C1 ZINC000452106884 387739571 /nfs/dbraw/zinc/73/95/71/387739571.db2.gz RGDZJCBNGUCZSI-UHFFFAOYSA-N 1 0 237.309 3.838 20 0 BHADRO CC(C)[N@H+](CCc1cccnc1)C1CC(C)(C)C1 ZINC000452108562 387738403 /nfs/dbraw/zinc/73/84/03/387738403.db2.gz VRUMDQWVIROJOR-UHFFFAOYSA-N 1 0 246.398 3.523 20 0 BHADRO COC[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000452109713 387740554 /nfs/dbraw/zinc/74/05/54/387740554.db2.gz XADZUANJCOUVBP-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO COC[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000452109714 387742393 /nfs/dbraw/zinc/74/23/93/387742393.db2.gz XADZUANJCOUVBP-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1cncc(C[N@@H+](C(C)C)C2CC(C)(C)C2)c1 ZINC000452111878 387741734 /nfs/dbraw/zinc/74/17/34/387741734.db2.gz VWWSJTIHWZOQJT-UHFFFAOYSA-N 1 0 246.398 3.789 20 0 BHADRO Cc1sccc1CNc1[nH+]ccn1CC(C)C ZINC000453047164 387972183 /nfs/dbraw/zinc/97/21/83/387972183.db2.gz HJKBHIHUOMHGRN-UHFFFAOYSA-N 1 0 249.383 3.521 20 0 BHADRO Cc1cc(CNc2[nH+]ccn2CC(C)C)cs1 ZINC000453048974 202694655 /nfs/dbraw/zinc/69/46/55/202694655.db2.gz PWVFDQRHFOQOKR-UHFFFAOYSA-N 1 0 249.383 3.521 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000453050703 387970795 /nfs/dbraw/zinc/97/07/95/387970795.db2.gz ADEWQLUCUJSJAI-GXTWGEPZSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000453050704 387971582 /nfs/dbraw/zinc/97/15/82/387971582.db2.gz ADEWQLUCUJSJAI-JSGCOSHPSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000453050705 387971329 /nfs/dbraw/zinc/97/13/29/387971329.db2.gz ADEWQLUCUJSJAI-OCCSQVGLSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000453050706 387971194 /nfs/dbraw/zinc/97/11/94/387971194.db2.gz ADEWQLUCUJSJAI-TZMCWYRMSA-N 1 0 233.355 3.597 20 0 BHADRO CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453050737 202693243 /nfs/dbraw/zinc/69/32/43/202693243.db2.gz AHLOCTWRHIXUOG-GXSJLCMTSA-N 1 0 209.358 3.686 20 0 BHADRO CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453050739 387972039 /nfs/dbraw/zinc/97/20/39/387972039.db2.gz AHLOCTWRHIXUOG-KOLCDFICSA-N 1 0 209.358 3.686 20 0 BHADRO CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453050740 387971918 /nfs/dbraw/zinc/97/19/18/387971918.db2.gz AHLOCTWRHIXUOG-MWLCHTKSSA-N 1 0 209.358 3.686 20 0 BHADRO CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453050741 387971673 /nfs/dbraw/zinc/97/16/73/387971673.db2.gz AHLOCTWRHIXUOG-ONGXEEELSA-N 1 0 209.358 3.686 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000453051262 202693654 /nfs/dbraw/zinc/69/36/54/202693654.db2.gz ARNZMNJHHJUZME-GXTWGEPZSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000453051264 387972843 /nfs/dbraw/zinc/97/28/43/387972843.db2.gz ARNZMNJHHJUZME-JSGCOSHPSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000453051265 387973308 /nfs/dbraw/zinc/97/33/08/387973308.db2.gz ARNZMNJHHJUZME-OCCSQVGLSA-N 1 0 233.355 3.597 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000453051267 387973540 /nfs/dbraw/zinc/97/35/40/387973540.db2.gz ARNZMNJHHJUZME-TZMCWYRMSA-N 1 0 233.355 3.597 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]C1CCCCC1 ZINC000453051271 386097758 /nfs/dbraw/zinc/09/77/58/386097758.db2.gz ASMAKOVOKLRYIC-AWEZNQCLSA-N 1 0 246.398 3.715 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]C1CCCCC1 ZINC000453051281 200787600 /nfs/dbraw/zinc/78/76/00/200787600.db2.gz ASMAKOVOKLRYIC-CQSZACIVSA-N 1 0 246.398 3.715 20 0 BHADRO CCC(CC)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453051377 202693745 /nfs/dbraw/zinc/69/37/45/202693745.db2.gz BCWOLDZDZQVYHZ-CYBMUJFWSA-N 1 0 234.387 3.571 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453051378 387973659 /nfs/dbraw/zinc/97/36/59/387973659.db2.gz BCWOLDZDZQVYHZ-ZDUSSCGKSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453052227 387973874 /nfs/dbraw/zinc/97/38/74/387973874.db2.gz CCTVRQDBQIOLBN-AWEZNQCLSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453052228 202693326 /nfs/dbraw/zinc/69/33/26/202693326.db2.gz CCTVRQDBQIOLBN-CQSZACIVSA-N 1 0 234.387 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOCC)C(C)(C)C ZINC000453054598 387972953 /nfs/dbraw/zinc/97/29/53/387972953.db2.gz AYXIKTGQAXWUNJ-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCCCOCC)C(C)(C)C ZINC000453054602 387973358 /nfs/dbraw/zinc/97/33/58/387973358.db2.gz AYXIKTGQAXWUNJ-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000453054701 202692921 /nfs/dbraw/zinc/69/29/21/202692921.db2.gz HYQXVTFLPVNDDS-HZMBPMFUSA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000453054703 387973387 /nfs/dbraw/zinc/97/33/87/387973387.db2.gz HYQXVTFLPVNDDS-IINYFYTJSA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000453054704 387973828 /nfs/dbraw/zinc/97/38/28/387973828.db2.gz HYQXVTFLPVNDDS-QMTHXVAHSA-N 1 0 221.344 3.817 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000453054706 202693155 /nfs/dbraw/zinc/69/31/55/202693155.db2.gz HYQXVTFLPVNDDS-YGRLFVJLSA-N 1 0 221.344 3.817 20 0 BHADRO c1cc(C[NH2+][C@H](C2CC2)C2CCCC2)cs1 ZINC000453056974 387974589 /nfs/dbraw/zinc/97/45/89/387974589.db2.gz HOQNXULEGGGLIN-AWEZNQCLSA-N 1 0 235.396 3.807 20 0 BHADRO c1cc(C[NH2+][C@@H](C2CC2)C2CCCC2)cs1 ZINC000453056980 387974555 /nfs/dbraw/zinc/97/45/55/387974555.db2.gz HOQNXULEGGGLIN-CQSZACIVSA-N 1 0 235.396 3.807 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccco1)C(C)(C)C ZINC000453058884 387975353 /nfs/dbraw/zinc/97/53/53/387975353.db2.gz PKWIHZYLSQHWEO-CYBMUJFWSA-N 1 0 223.360 3.627 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccco1)C(C)(C)C ZINC000453058885 387975288 /nfs/dbraw/zinc/97/52/88/387975288.db2.gz PKWIHZYLSQHWEO-ZDUSSCGKSA-N 1 0 223.360 3.627 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nccn1CC ZINC000453058904 387974857 /nfs/dbraw/zinc/97/48/57/387974857.db2.gz ADMXMMKVTFFDIV-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nccn1CC ZINC000453058905 387975204 /nfs/dbraw/zinc/97/52/04/387975204.db2.gz ADMXMMKVTFFDIV-MCIONIFRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nccn1CC ZINC000453058907 387975538 /nfs/dbraw/zinc/97/55/38/387975538.db2.gz ADMXMMKVTFFDIV-MGPQQGTHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nccn1CC ZINC000453058909 387975238 /nfs/dbraw/zinc/97/52/38/387975238.db2.gz ADMXMMKVTFFDIV-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]CCCC1CCCC1 ZINC000453062455 387976249 /nfs/dbraw/zinc/97/62/49/387976249.db2.gz DRSKTRNVLMXGLA-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]CCCC1CCCC1 ZINC000453062457 387977256 /nfs/dbraw/zinc/97/72/56/387977256.db2.gz DRSKTRNVLMXGLA-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CC1CCCC1 ZINC000453063336 387977049 /nfs/dbraw/zinc/97/70/49/387977049.db2.gz DRWMGRZJSAKVJI-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CC1CCCC1 ZINC000453063340 202695141 /nfs/dbraw/zinc/69/51/41/202695141.db2.gz DRWMGRZJSAKVJI-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453066327 202697985 /nfs/dbraw/zinc/69/79/85/202697985.db2.gz ITXRIUYWHVLZLR-KKUMJFAQSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453066328 387976280 /nfs/dbraw/zinc/97/62/80/387976280.db2.gz ITXRIUYWHVLZLR-RRFJBIMHSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453066329 387977188 /nfs/dbraw/zinc/97/71/88/387977188.db2.gz ITXRIUYWHVLZLR-SOUVJXGZSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453066330 202697292 /nfs/dbraw/zinc/69/72/92/202697292.db2.gz ITXRIUYWHVLZLR-ZNMIVQPWSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453067174 202696736 /nfs/dbraw/zinc/69/67/36/202696736.db2.gz YSYWJQGEYWFLGN-KBPBESRZSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453067175 387978937 /nfs/dbraw/zinc/97/89/37/387978937.db2.gz YSYWJQGEYWFLGN-KGLIPLIRSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453067176 202696769 /nfs/dbraw/zinc/69/67/69/202696769.db2.gz YSYWJQGEYWFLGN-UONOGXRCSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453067177 387978643 /nfs/dbraw/zinc/97/86/43/387978643.db2.gz YSYWJQGEYWFLGN-ZIAGYGMSSA-N 1 0 234.387 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCc1cccnc1)C(C)C ZINC000453068032 387978329 /nfs/dbraw/zinc/97/83/29/387978329.db2.gz CGHIJLVZNOZRJH-GDBMZVCRSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(C)C ZINC000453068033 387978030 /nfs/dbraw/zinc/97/80/30/387978030.db2.gz CGHIJLVZNOZRJH-GOEBONIOSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCc1cccnc1)C(C)C ZINC000453068034 387978388 /nfs/dbraw/zinc/97/83/88/387978388.db2.gz CGHIJLVZNOZRJH-HOCLYGCPSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCc1cccnc1)C(C)C ZINC000453068035 387978602 /nfs/dbraw/zinc/97/86/02/387978602.db2.gz CGHIJLVZNOZRJH-ZBFHGGJFSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(C)(C)C ZINC000453069357 387979019 /nfs/dbraw/zinc/97/90/19/387979019.db2.gz MJPBNYMTFQQXGM-AWEZNQCLSA-N 1 0 248.414 3.819 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CCC(C)(C)C ZINC000453069358 387978653 /nfs/dbraw/zinc/97/86/53/387978653.db2.gz MJPBNYMTFQQXGM-CQSZACIVSA-N 1 0 248.414 3.819 20 0 BHADRO c1csc(C[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000453070753 387977946 /nfs/dbraw/zinc/97/79/46/387977946.db2.gz BXYTWJOYBIMYGX-AWEZNQCLSA-N 1 0 235.396 3.807 20 0 BHADRO c1csc(C[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000453070754 387978218 /nfs/dbraw/zinc/97/82/18/387978218.db2.gz BXYTWJOYBIMYGX-CQSZACIVSA-N 1 0 235.396 3.807 20 0 BHADRO CC[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000453079003 387980288 /nfs/dbraw/zinc/98/02/88/387980288.db2.gz NXTJMJJNZFOJKO-CLWVCHIJSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000453079004 387980756 /nfs/dbraw/zinc/98/07/56/387980756.db2.gz NXTJMJJNZFOJKO-LQKXBSAESA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccncc1 ZINC000453079006 387980305 /nfs/dbraw/zinc/98/03/05/387980305.db2.gz NXTJMJJNZFOJKO-NFAWXSAZSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000453079008 387980117 /nfs/dbraw/zinc/98/01/17/387980117.db2.gz NXTJMJJNZFOJKO-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000453084642 387979671 /nfs/dbraw/zinc/97/96/71/387979671.db2.gz FIWRAWLZIOXKQW-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)C(C)(C)C ZINC000453084643 387980094 /nfs/dbraw/zinc/98/00/94/387980094.db2.gz FIWRAWLZIOXKQW-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)C(C)(C)C ZINC000453084644 387982184 /nfs/dbraw/zinc/98/21/84/387982184.db2.gz FIWRAWLZIOXKQW-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000453084645 387982330 /nfs/dbraw/zinc/98/23/30/387982330.db2.gz FIWRAWLZIOXKQW-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453086047 387981549 /nfs/dbraw/zinc/98/15/49/387981549.db2.gz XXHOYDSVBKUWHE-HNNXBMFYSA-N 1 0 248.414 3.819 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453086050 387982905 /nfs/dbraw/zinc/98/29/05/387982905.db2.gz XXHOYDSVBKUWHE-OAHLLOKOSA-N 1 0 248.414 3.819 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CC2)c2sccc21 ZINC000453087748 202700477 /nfs/dbraw/zinc/70/04/77/202700477.db2.gz QAMUSKPZEKANND-BXKDBHETSA-N 1 0 221.369 3.686 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2CC2)c2sccc21 ZINC000453087750 202700568 /nfs/dbraw/zinc/70/05/68/202700568.db2.gz QAMUSKPZEKANND-CABZTGNLSA-N 1 0 221.369 3.686 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2CC2)c2sccc21 ZINC000453087753 387981751 /nfs/dbraw/zinc/98/17/51/387981751.db2.gz QAMUSKPZEKANND-JOYOIKCWSA-N 1 0 221.369 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CC2)c2sccc21 ZINC000453087756 202699062 /nfs/dbraw/zinc/69/90/62/202699062.db2.gz QAMUSKPZEKANND-SKDRFNHKSA-N 1 0 221.369 3.686 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)C1CCC1 ZINC000453100105 387984644 /nfs/dbraw/zinc/98/46/44/387984644.db2.gz UXXUMEDESCOJPN-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)C1CCC1 ZINC000453100107 202702204 /nfs/dbraw/zinc/70/22/04/202702204.db2.gz UXXUMEDESCOJPN-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)C1CCC1 ZINC000453100109 202701410 /nfs/dbraw/zinc/70/14/10/202701410.db2.gz UXXUMEDESCOJPN-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)C1CCC1 ZINC000453100111 387983870 /nfs/dbraw/zinc/98/38/70/387983870.db2.gz UXXUMEDESCOJPN-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453105246 387986550 /nfs/dbraw/zinc/98/65/50/387986550.db2.gz WIVMHBAWSKDALK-AWEZNQCLSA-N 1 0 248.414 3.819 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453105247 387985790 /nfs/dbraw/zinc/98/57/90/387985790.db2.gz WIVMHBAWSKDALK-CQSZACIVSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CSC)C(C)(C)C ZINC000453105389 387985767 /nfs/dbraw/zinc/98/57/67/387985767.db2.gz BMKBSUZBTNVXCW-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CSC)C(C)(C)C ZINC000453105390 202702002 /nfs/dbraw/zinc/70/20/02/202702002.db2.gz BMKBSUZBTNVXCW-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CSC)C(C)(C)C ZINC000453105391 387985118 /nfs/dbraw/zinc/98/51/18/387985118.db2.gz BMKBSUZBTNVXCW-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CSC)C(C)(C)C ZINC000453105392 202701813 /nfs/dbraw/zinc/70/18/13/202701813.db2.gz BMKBSUZBTNVXCW-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)C)c1ccncc1 ZINC000453105594 387986370 /nfs/dbraw/zinc/98/63/70/387986370.db2.gz XEYYRCOVOMSGQX-KBPBESRZSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)C)c1ccncc1 ZINC000453105595 202701582 /nfs/dbraw/zinc/70/15/82/202701582.db2.gz XEYYRCOVOMSGQX-KGLIPLIRSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)C(C)(C)C ZINC000453105596 386156041 /nfs/dbraw/zinc/15/60/41/386156041.db2.gz XEYYRCOVOMSGQX-UONOGXRCSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)C)c1ccncc1 ZINC000453105597 386156644 /nfs/dbraw/zinc/15/66/44/386156644.db2.gz XEYYRCOVOMSGQX-ZIAGYGMSSA-N 1 0 234.387 3.947 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)c2nccn21 ZINC000453105902 387986308 /nfs/dbraw/zinc/98/63/08/387986308.db2.gz IEVNHXUOCVPTSC-CHWSQXEVSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCCC(C)(C)C)c2nccn21 ZINC000453105903 387986181 /nfs/dbraw/zinc/98/61/81/387986181.db2.gz IEVNHXUOCVPTSC-OLZOCXBDSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)c2nccn21 ZINC000453105904 387986525 /nfs/dbraw/zinc/98/65/25/387986525.db2.gz IEVNHXUOCVPTSC-QWHCGFSZSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCCCC(C)(C)C)c2nccn21 ZINC000453105905 387985512 /nfs/dbraw/zinc/98/55/12/387985512.db2.gz IEVNHXUOCVPTSC-STQMWFEESA-N 1 0 249.402 3.695 20 0 BHADRO CCC[C@@H]([NH2+]CCCCSC)C(C)(C)C ZINC000453106785 387985086 /nfs/dbraw/zinc/98/50/86/387985086.db2.gz FIJOWHBMKAWGST-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CCC[C@H]([NH2+]CCCCSC)C(C)(C)C ZINC000453106786 202702217 /nfs/dbraw/zinc/70/22/17/202702217.db2.gz FIJOWHBMKAWGST-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453107359 387985542 /nfs/dbraw/zinc/98/55/42/387985542.db2.gz GQOIGATWFIXDSX-CABCVRRESA-N 1 0 248.414 3.675 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453107360 387985131 /nfs/dbraw/zinc/98/51/31/387985131.db2.gz GQOIGATWFIXDSX-GJZGRUSLSA-N 1 0 248.414 3.675 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453107361 387986417 /nfs/dbraw/zinc/98/64/17/387986417.db2.gz GQOIGATWFIXDSX-HUUCEWRRSA-N 1 0 248.414 3.675 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453107362 387986365 /nfs/dbraw/zinc/98/63/65/387986365.db2.gz GQOIGATWFIXDSX-LSDHHAIUSA-N 1 0 248.414 3.675 20 0 BHADRO C[C@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453107799 202702145 /nfs/dbraw/zinc/70/21/45/202702145.db2.gz MFBQNHHRVRUDBZ-LLHIFLOGSA-N 1 0 221.369 3.685 20 0 BHADRO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453107800 387985996 /nfs/dbraw/zinc/98/59/96/387985996.db2.gz MFBQNHHRVRUDBZ-LSKIRQOJSA-N 1 0 221.369 3.685 20 0 BHADRO C[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453107801 387986436 /nfs/dbraw/zinc/98/64/36/387986436.db2.gz MFBQNHHRVRUDBZ-PKZYVASSSA-N 1 0 221.369 3.685 20 0 BHADRO C[C@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453107802 387985694 /nfs/dbraw/zinc/98/56/94/387985694.db2.gz MFBQNHHRVRUDBZ-QCZKYFFMSA-N 1 0 221.369 3.685 20 0 BHADRO CSCCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453119381 387989922 /nfs/dbraw/zinc/98/99/22/387989922.db2.gz ZKSLZXBIZOKKNP-AWEZNQCLSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453119382 387988902 /nfs/dbraw/zinc/98/89/02/387988902.db2.gz ZKSLZXBIZOKKNP-CQSZACIVSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H]1CCn2ccnc21 ZINC000453119400 387989285 /nfs/dbraw/zinc/98/92/85/387989285.db2.gz BIUUIQVXBWYPKY-KBPBESRZSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H]1CCn2ccnc21 ZINC000453119401 387989134 /nfs/dbraw/zinc/98/91/34/387989134.db2.gz BIUUIQVXBWYPKY-KGLIPLIRSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H]1CCn2ccnc21 ZINC000453119402 387989166 /nfs/dbraw/zinc/98/91/66/387989166.db2.gz BIUUIQVXBWYPKY-UONOGXRCSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H]1CCn2ccnc21 ZINC000453119403 387989199 /nfs/dbraw/zinc/98/91/99/387989199.db2.gz BIUUIQVXBWYPKY-ZIAGYGMSSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@H]([NH2+]CC1(CC)CCC1)c1ccncc1 ZINC000453120578 387988810 /nfs/dbraw/zinc/98/88/10/387988810.db2.gz CUSJBETYTPRWQK-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC)CCC1)c1ccncc1 ZINC000453120579 387989619 /nfs/dbraw/zinc/98/96/19/387989619.db2.gz CUSJBETYTPRWQK-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)c1cccnc1 ZINC000453121539 387989128 /nfs/dbraw/zinc/98/91/28/387989128.db2.gz XKYJQDCSEWSVAQ-HOSILWTGSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[C@H]1C)c1cccnc1 ZINC000453121540 387989256 /nfs/dbraw/zinc/98/92/56/387989256.db2.gz XKYJQDCSEWSVAQ-ORIJERBGSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+]CCCC(C)(C)CO)C(C)(C)C ZINC000453122218 387990010 /nfs/dbraw/zinc/99/00/10/387990010.db2.gz LPEGGKUBYHMKDO-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H]([NH2+]CCCC(C)(C)CO)C(C)(C)C ZINC000453122222 387990020 /nfs/dbraw/zinc/99/00/20/387990020.db2.gz LPEGGKUBYHMKDO-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453123950 387991358 /nfs/dbraw/zinc/99/13/58/387991358.db2.gz RLFXHLOWWZOIST-GFCCVEGCSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453123951 202703281 /nfs/dbraw/zinc/70/32/81/202703281.db2.gz RLFXHLOWWZOIST-LBPRGKRZSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)CC1CC1 ZINC000453125368 387990881 /nfs/dbraw/zinc/99/08/81/387990881.db2.gz QYOMGZPOWBWVGK-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CC1CC1 ZINC000453125369 387990832 /nfs/dbraw/zinc/99/08/32/387990832.db2.gz QYOMGZPOWBWVGK-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453125370 387991869 /nfs/dbraw/zinc/99/18/69/387991869.db2.gz QYOMGZPOWBWVGK-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)CC1CC1 ZINC000453125371 387991033 /nfs/dbraw/zinc/99/10/33/387991033.db2.gz QYOMGZPOWBWVGK-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H](CCO)C[NH2+][C@@H](CCC)C(C)(C)C ZINC000453126510 387991362 /nfs/dbraw/zinc/99/13/62/387991362.db2.gz VDPFFKMIWPWFBO-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@@H](CCC)C(C)(C)C ZINC000453126514 387991862 /nfs/dbraw/zinc/99/18/62/387991862.db2.gz VDPFFKMIWPWFBO-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](CCC)CCO)C(C)(C)C ZINC000453126516 202703310 /nfs/dbraw/zinc/70/33/10/202703310.db2.gz VDPFFKMIWPWFBO-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](CCO)C[NH2+][C@H](CCC)C(C)(C)C ZINC000453126518 387991238 /nfs/dbraw/zinc/99/12/38/387991238.db2.gz VDPFFKMIWPWFBO-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453126573 202703126 /nfs/dbraw/zinc/70/31/26/202703126.db2.gz AHOQENJOWZDHHM-GDBMZVCRSA-N 1 0 248.414 3.961 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453126574 387991817 /nfs/dbraw/zinc/99/18/17/387991817.db2.gz AHOQENJOWZDHHM-GOEBONIOSA-N 1 0 248.414 3.961 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453126575 387991038 /nfs/dbraw/zinc/99/10/38/387991038.db2.gz AHOQENJOWZDHHM-HOCLYGCPSA-N 1 0 248.414 3.961 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453126576 387991720 /nfs/dbraw/zinc/99/17/20/387991720.db2.gz AHOQENJOWZDHHM-ZBFHGGJFSA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)c1ccncn1 ZINC000453128417 387993563 /nfs/dbraw/zinc/99/35/63/387993563.db2.gz MIZNJSWHIHUMAF-KBPBESRZSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)c1ccncn1 ZINC000453128418 387992465 /nfs/dbraw/zinc/99/24/65/387992465.db2.gz MIZNJSWHIHUMAF-KGLIPLIRSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H](C)c1ccncn1 ZINC000453128420 387993170 /nfs/dbraw/zinc/99/31/70/387993170.db2.gz MIZNJSWHIHUMAF-UONOGXRCSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H](C)c1ccncn1 ZINC000453128421 387993196 /nfs/dbraw/zinc/99/31/96/387993196.db2.gz MIZNJSWHIHUMAF-ZIAGYGMSSA-N 1 0 249.402 3.734 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]CC1(CC)CCCC1 ZINC000453131008 387992849 /nfs/dbraw/zinc/99/28/49/387992849.db2.gz CKMLZGVABVMICV-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]CC1(CC)CCCC1 ZINC000453131012 387992796 /nfs/dbraw/zinc/99/27/96/387992796.db2.gz CKMLZGVABVMICV-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(C)(C)C ZINC000453131038 387993295 /nfs/dbraw/zinc/99/32/95/387993295.db2.gz CMOPZQWKCAVFDC-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1SC)C(C)(C)C ZINC000453131039 202703712 /nfs/dbraw/zinc/70/37/12/202703712.db2.gz CMOPZQWKCAVFDC-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(C)(C)C ZINC000453131040 387993009 /nfs/dbraw/zinc/99/30/09/387993009.db2.gz CMOPZQWKCAVFDC-UTUOFQBUSA-N 1 0 229.433 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C(C)(C)C ZINC000453131041 387993081 /nfs/dbraw/zinc/99/30/81/387993081.db2.gz CMOPZQWKCAVFDC-WOPDTQHZSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ccncn1 ZINC000453134916 202703336 /nfs/dbraw/zinc/70/33/36/202703336.db2.gz KKARWXNBSKPKOV-CYBMUJFWSA-N 1 0 249.402 3.588 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccncn1 ZINC000453134917 202703726 /nfs/dbraw/zinc/70/37/26/202703726.db2.gz KKARWXNBSKPKOV-ZDUSSCGKSA-N 1 0 249.402 3.588 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000453135259 387994318 /nfs/dbraw/zinc/99/43/18/387994318.db2.gz WLVZYTLJJDUTJM-BFJAYTPKSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)c1ccncc1 ZINC000453135260 398140129 /nfs/dbraw/zinc/14/01/29/398140129.db2.gz WLVZYTLJJDUTJM-DARAHFNDSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)c1ccncc1 ZINC000453135261 398139900 /nfs/dbraw/zinc/13/99/00/398139900.db2.gz WLVZYTLJJDUTJM-LQKXBSAESA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)c1ccncc1 ZINC000453135262 398139958 /nfs/dbraw/zinc/13/99/58/398139958.db2.gz WLVZYTLJJDUTJM-LUYZLQTOSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CCOCC1)C(C)(C)C ZINC000453136362 202703914 /nfs/dbraw/zinc/70/39/14/202703914.db2.gz BLDGBOQKPLBWNL-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CCOCC1)C(C)(C)C ZINC000453136364 387994407 /nfs/dbraw/zinc/99/44/07/387994407.db2.gz BLDGBOQKPLBWNL-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CC)c1ccncc1 ZINC000453136874 387994843 /nfs/dbraw/zinc/99/48/43/387994843.db2.gz KWLRJCWWSXQAQB-AEGPPILISA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CC)c1ccncc1 ZINC000453136875 387995413 /nfs/dbraw/zinc/99/54/13/387995413.db2.gz KWLRJCWWSXQAQB-QEJZJMRPSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1CC)c1ccncc1 ZINC000453136877 387994134 /nfs/dbraw/zinc/99/41/34/387994134.db2.gz KWLRJCWWSXQAQB-SNPRPXQTSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CC)c1ccncc1 ZINC000453136878 387994189 /nfs/dbraw/zinc/99/41/89/387994189.db2.gz KWLRJCWWSXQAQB-VHDGCEQUSA-N 1 0 232.371 3.701 20 0 BHADRO c1ccc2c(c1)CCC([NH2+][C@H]1CC=CCC1)CC2 ZINC000453137510 387994360 /nfs/dbraw/zinc/99/43/60/387994360.db2.gz GUVWAKXAXLVBMB-INIZCTEOSA-N 1 0 241.378 3.632 20 0 BHADRO c1ccc2c(c1)CCC([NH2+][C@@H]1CC=CCC1)CC2 ZINC000453137521 202703831 /nfs/dbraw/zinc/70/38/31/202703831.db2.gz GUVWAKXAXLVBMB-MRXNPFEDSA-N 1 0 241.378 3.632 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]CC1(C)CCCCC1 ZINC000453138051 387995370 /nfs/dbraw/zinc/99/53/70/387995370.db2.gz DMNXGDPCMVOAIO-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]CC1(C)CCCCC1 ZINC000453138058 387995495 /nfs/dbraw/zinc/99/54/95/387995495.db2.gz DMNXGDPCMVOAIO-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C1=CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453141087 202704088 /nfs/dbraw/zinc/70/40/88/202704088.db2.gz JHTUBCGGTIASMZ-CABCVRRESA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453141089 387996206 /nfs/dbraw/zinc/99/62/06/387996206.db2.gz JHTUBCGGTIASMZ-GJZGRUSLSA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453141090 387996522 /nfs/dbraw/zinc/99/65/22/387996522.db2.gz JHTUBCGGTIASMZ-HUUCEWRRSA-N 1 0 219.372 3.654 20 0 BHADRO C1=CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453141091 387996626 /nfs/dbraw/zinc/99/66/26/387996626.db2.gz JHTUBCGGTIASMZ-LSDHHAIUSA-N 1 0 219.372 3.654 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)C ZINC000453141460 387996232 /nfs/dbraw/zinc/99/62/32/387996232.db2.gz CJYQWZJPNQPVTI-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)C ZINC000453141462 387996407 /nfs/dbraw/zinc/99/64/07/387996407.db2.gz CJYQWZJPNQPVTI-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)C ZINC000453141463 387996183 /nfs/dbraw/zinc/99/61/83/387996183.db2.gz CJYQWZJPNQPVTI-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)C ZINC000453141464 387996797 /nfs/dbraw/zinc/99/67/97/387996797.db2.gz CJYQWZJPNQPVTI-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO FC(F)(F)CCNc1ccc2c[nH+]ccc2c1 ZINC000453141614 387997214 /nfs/dbraw/zinc/99/72/14/387997214.db2.gz GZBNWXHAPMWBTJ-UHFFFAOYSA-N 1 0 240.228 3.599 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2nccn2CC)CCC1 ZINC000453142498 202704198 /nfs/dbraw/zinc/70/41/98/202704198.db2.gz IFUGCQIFZODHSM-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2nccn2CC)CCC1 ZINC000453142499 387996579 /nfs/dbraw/zinc/99/65/79/387996579.db2.gz IFUGCQIFZODHSM-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CC1(C)CCC1 ZINC000453143271 386194682 /nfs/dbraw/zinc/19/46/82/386194682.db2.gz DQZOUFFVABTVPN-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CC1(C)CCC1 ZINC000453143277 386193584 /nfs/dbraw/zinc/19/35/84/386193584.db2.gz DQZOUFFVABTVPN-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]([NH2+]CC1(CC(C)C)CC1)c1ccncc1 ZINC000453144640 387996928 /nfs/dbraw/zinc/99/69/28/387996928.db2.gz KMYHVRSFYYGXPL-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC(C)C)CC1)c1ccncc1 ZINC000453144642 387997263 /nfs/dbraw/zinc/99/72/63/387997263.db2.gz KMYHVRSFYYGXPL-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]CC1(C(C)C)CC1)c1ccncc1 ZINC000453144738 387997044 /nfs/dbraw/zinc/99/70/44/387997044.db2.gz KXZGCAVLZDUQAV-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(C)C)CC1)c1ccncc1 ZINC000453144739 202703923 /nfs/dbraw/zinc/70/39/23/202703923.db2.gz KXZGCAVLZDUQAV-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CCCC1(C[NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000453146795 387998560 /nfs/dbraw/zinc/99/85/60/387998560.db2.gz MXDPASPKRJMFLK-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCCC1(C[NH2+][C@H](CC)c2ccncc2)CC1 ZINC000453146796 387998208 /nfs/dbraw/zinc/99/82/08/387998208.db2.gz MXDPASPKRJMFLK-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453150178 202704626 /nfs/dbraw/zinc/70/46/26/202704626.db2.gz MDPWFPFTJHEHEO-GUTXKFCHSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC)c1ccncc1 ZINC000453150179 387998804 /nfs/dbraw/zinc/99/88/04/387998804.db2.gz MDPWFPFTJHEHEO-GZBFAFLISA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)c1ccncc1 ZINC000453150181 387998292 /nfs/dbraw/zinc/99/82/92/387998292.db2.gz MDPWFPFTJHEHEO-KCQAQPDRSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453150183 387998774 /nfs/dbraw/zinc/99/87/74/387998774.db2.gz MDPWFPFTJHEHEO-YDHLFZDLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCCc1cccnc1 ZINC000453150254 202704376 /nfs/dbraw/zinc/70/43/76/202704376.db2.gz MNPFKRHMUICDFY-BMFZPTHFSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCCc1cccnc1 ZINC000453150256 387998337 /nfs/dbraw/zinc/99/83/37/387998337.db2.gz MNPFKRHMUICDFY-FVQBIDKESA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453150258 387998482 /nfs/dbraw/zinc/99/84/82/387998482.db2.gz MNPFKRHMUICDFY-IMJJTQAJSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453150834 387998510 /nfs/dbraw/zinc/99/85/10/387998510.db2.gz MNPFKRHMUICDFY-NUEKZKHPSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453152146 202704446 /nfs/dbraw/zinc/70/44/46/202704446.db2.gz OSLWRTASHPFGBB-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453152147 202704319 /nfs/dbraw/zinc/70/43/19/202704319.db2.gz OSLWRTASHPFGBB-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CCCO)C(C)(C)C ZINC000453153512 387998769 /nfs/dbraw/zinc/99/87/69/387998769.db2.gz RFCUBIYBSCWFJV-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CCCO)C(C)(C)C ZINC000453153513 387997741 /nfs/dbraw/zinc/99/77/41/387997741.db2.gz RFCUBIYBSCWFJV-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCCC1)c1ccncc1 ZINC000453155106 202704379 /nfs/dbraw/zinc/70/43/79/202704379.db2.gz FHRMQJOBWXBPPP-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCCC1)c1ccncc1 ZINC000453155107 388000452 /nfs/dbraw/zinc/00/04/52/388000452.db2.gz FHRMQJOBWXBPPP-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC2)c2sccc21 ZINC000453156895 387991529 /nfs/dbraw/zinc/99/15/29/387991529.db2.gz ICNQYTQQHYRLGO-BXKDBHETSA-N 1 0 221.369 3.829 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC2)c2sccc21 ZINC000453156896 387991473 /nfs/dbraw/zinc/99/14/73/387991473.db2.gz ICNQYTQQHYRLGO-CABZTGNLSA-N 1 0 221.369 3.829 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC2)c2sccc21 ZINC000453156897 387991505 /nfs/dbraw/zinc/99/15/05/387991505.db2.gz ICNQYTQQHYRLGO-JOYOIKCWSA-N 1 0 221.369 3.829 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC2)c2sccc21 ZINC000453156898 387991902 /nfs/dbraw/zinc/99/19/02/387991902.db2.gz ICNQYTQQHYRLGO-SKDRFNHKSA-N 1 0 221.369 3.829 20 0 BHADRO CCC[C@H]([NH2+]CCCc1ccccn1)C1CCC1 ZINC000453159427 387999457 /nfs/dbraw/zinc/99/94/57/387999457.db2.gz LTIBIMKTZYGKBD-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCCc1ccccn1)C1CCC1 ZINC000453159428 387999965 /nfs/dbraw/zinc/99/99/65/387999965.db2.gz LTIBIMKTZYGKBD-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453161602 386205905 /nfs/dbraw/zinc/20/59/05/386205905.db2.gz JARWTUJZGNVHMD-HNNXBMFYSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453161603 386206613 /nfs/dbraw/zinc/20/66/13/386206613.db2.gz JARWTUJZGNVHMD-OAHLLOKOSA-N 1 0 249.423 3.767 20 0 BHADRO CCC[C@@H]([NH2+]CC1(CCOC)CC1)C(C)(C)C ZINC000453163291 388000421 /nfs/dbraw/zinc/00/04/21/388000421.db2.gz PXKDNVZMHLZENY-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CC1(CCOC)CC1)C(C)(C)C ZINC000453163293 202704990 /nfs/dbraw/zinc/70/49/90/202704990.db2.gz PXKDNVZMHLZENY-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccncc1 ZINC000453163378 388000254 /nfs/dbraw/zinc/00/02/54/388000254.db2.gz DHBPXNOPSHHWQO-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccncc1 ZINC000453163380 387999881 /nfs/dbraw/zinc/99/98/81/387999881.db2.gz DHBPXNOPSHHWQO-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CCC1 ZINC000453164415 386208076 /nfs/dbraw/zinc/20/80/76/386208076.db2.gz AASAUFMFDWMKSY-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CCC1 ZINC000453164417 386207163 /nfs/dbraw/zinc/20/71/63/386207163.db2.gz AASAUFMFDWMKSY-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1CCC1 ZINC000453164422 205798999 /nfs/dbraw/zinc/79/89/99/205798999.db2.gz AASAUFMFDWMKSY-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C1CCC1 ZINC000453164423 386207244 /nfs/dbraw/zinc/20/72/44/386207244.db2.gz AASAUFMFDWMKSY-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccncc1 ZINC000453165506 202705087 /nfs/dbraw/zinc/70/50/87/202705087.db2.gz MQZFJCBDEQELRR-BCAXMMLOSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccncc1 ZINC000453165507 388001924 /nfs/dbraw/zinc/00/19/24/388001924.db2.gz MQZFJCBDEQELRR-BGHVQYPCSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccncc1 ZINC000453165508 388001884 /nfs/dbraw/zinc/00/18/84/388001884.db2.gz MQZFJCBDEQELRR-FPCDFSMTSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccncc1 ZINC000453165509 202704870 /nfs/dbraw/zinc/70/48/70/202704870.db2.gz MQZFJCBDEQELRR-GMEATFMZSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)c1ccncc1 ZINC000453166218 388001363 /nfs/dbraw/zinc/00/13/63/388001363.db2.gz VQDYOGSDQBNNPL-BPLDGKMQSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)CC1)c1ccncc1 ZINC000453166220 202704875 /nfs/dbraw/zinc/70/48/75/202704875.db2.gz VQDYOGSDQBNNPL-QEJZJMRPSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)SC)C(C)(C)C ZINC000453166276 388001402 /nfs/dbraw/zinc/00/14/02/388001402.db2.gz HOEXYXLEMUCHHN-GHMZBOCLSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)SC)C(C)(C)C ZINC000453166278 202704897 /nfs/dbraw/zinc/70/48/97/202704897.db2.gz HOEXYXLEMUCHHN-MNOVXSKESA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)SC)C(C)(C)C ZINC000453166281 388001434 /nfs/dbraw/zinc/00/14/34/388001434.db2.gz HOEXYXLEMUCHHN-QWRGUYRKSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)SC)C(C)(C)C ZINC000453166283 388001706 /nfs/dbraw/zinc/00/17/06/388001706.db2.gz HOEXYXLEMUCHHN-WDEREUQCSA-N 1 0 217.422 3.542 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccncc1C)C(C)(C)C ZINC000453169420 388001784 /nfs/dbraw/zinc/00/17/84/388001784.db2.gz GJCCFFQRWUDHFP-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccncc1C)C(C)(C)C ZINC000453169421 388002276 /nfs/dbraw/zinc/00/22/76/388002276.db2.gz GJCCFFQRWUDHFP-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@H]1C ZINC000453169602 388001549 /nfs/dbraw/zinc/00/15/49/388001549.db2.gz XTKZWBALGLURLR-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000453169604 388002331 /nfs/dbraw/zinc/00/23/31/388002331.db2.gz XTKZWBALGLURLR-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000453169606 388001518 /nfs/dbraw/zinc/00/15/18/388001518.db2.gz XTKZWBALGLURLR-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000453169607 202705068 /nfs/dbraw/zinc/70/50/68/202705068.db2.gz XTKZWBALGLURLR-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@H]([NH2+]CCCc1ccccn1)C(C)(C)C ZINC000453170121 202704804 /nfs/dbraw/zinc/70/48/04/202704804.db2.gz VTOVLPNBXVRRLR-HNNXBMFYSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H]([NH2+]CCCc1ccccn1)C(C)(C)C ZINC000453170122 388002219 /nfs/dbraw/zinc/00/22/19/388002219.db2.gz VTOVLPNBXVRRLR-OAHLLOKOSA-N 1 0 248.414 3.819 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453171111 388001838 /nfs/dbraw/zinc/00/18/38/388001838.db2.gz XDYONRUMRCNWSW-CHWSQXEVSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453171112 202705465 /nfs/dbraw/zinc/70/54/65/202705465.db2.gz XDYONRUMRCNWSW-OLZOCXBDSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453171113 388001676 /nfs/dbraw/zinc/00/16/76/388001676.db2.gz XDYONRUMRCNWSW-QWHCGFSZSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453171114 388001744 /nfs/dbraw/zinc/00/17/44/388001744.db2.gz XDYONRUMRCNWSW-STQMWFEESA-N 1 0 243.341 3.733 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453171528 388001392 /nfs/dbraw/zinc/00/13/92/388001392.db2.gz MCPDULSTWXDWIX-CABCVRRESA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453171529 388001569 /nfs/dbraw/zinc/00/15/69/388001569.db2.gz MCPDULSTWXDWIX-GJZGRUSLSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453171530 388001301 /nfs/dbraw/zinc/00/13/01/388001301.db2.gz MCPDULSTWXDWIX-HUUCEWRRSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453171531 202705652 /nfs/dbraw/zinc/70/56/52/202705652.db2.gz MCPDULSTWXDWIX-LSDHHAIUSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453173532 388001346 /nfs/dbraw/zinc/00/13/46/388001346.db2.gz JKXWULSLHKRSKL-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453173533 388001806 /nfs/dbraw/zinc/00/18/06/388001806.db2.gz JKXWULSLHKRSKL-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453173534 388001525 /nfs/dbraw/zinc/00/15/25/388001525.db2.gz JKXWULSLHKRSKL-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453173535 388001871 /nfs/dbraw/zinc/00/18/71/388001871.db2.gz JKXWULSLHKRSKL-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccsc1 ZINC000453174300 388003127 /nfs/dbraw/zinc/00/31/27/388003127.db2.gz KGWZEMTVQYUERE-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccsc1 ZINC000453174301 388003576 /nfs/dbraw/zinc/00/35/76/388003576.db2.gz KGWZEMTVQYUERE-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccncc1 ZINC000453178339 388003574 /nfs/dbraw/zinc/00/35/74/388003574.db2.gz OCOWWHUVNYOOGK-OGVSOVDVSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@H]([NH2+]CC12CCC(CC1)C2)c1ccncc1 ZINC000453178340 388003566 /nfs/dbraw/zinc/00/35/66/388003566.db2.gz OCOWWHUVNYOOGK-SIWZUTFBSA-N 1 0 244.382 3.703 20 0 BHADRO FC1(F)CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453178356 388003315 /nfs/dbraw/zinc/00/33/15/388003315.db2.gz OFEWMGIMFGGMSF-CYBMUJFWSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453178357 388003629 /nfs/dbraw/zinc/00/36/29/388003629.db2.gz OFEWMGIMFGGMSF-ZDUSSCGKSA-N 1 0 243.341 3.733 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cncc(C)c2)cs1 ZINC000453186029 388004948 /nfs/dbraw/zinc/00/49/48/388004948.db2.gz WLAVPWHMHCMEOG-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cncc(C)c2)cs1 ZINC000453186043 388004848 /nfs/dbraw/zinc/00/48/48/388004848.db2.gz WLAVPWHMHCMEOG-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCCC1)c1cn[nH]c1 ZINC000453189325 388004593 /nfs/dbraw/zinc/00/45/93/388004593.db2.gz BCFLLNQDRQAGIY-GFCCVEGCSA-N 1 0 247.386 3.587 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCCC1)c1cn[nH]c1 ZINC000453189328 388004248 /nfs/dbraw/zinc/00/42/48/388004248.db2.gz BCFLLNQDRQAGIY-LBPRGKRZSA-N 1 0 247.386 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@@H]1CCCC[C@H]1C ZINC000453190171 388006080 /nfs/dbraw/zinc/00/60/80/388006080.db2.gz CHLLXHNNTODPDO-FVCCEPFGSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@H]1CCCC[C@H]1C ZINC000453190172 388006665 /nfs/dbraw/zinc/00/66/65/388006665.db2.gz CHLLXHNNTODPDO-NDBYEHHHSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@@H]1CCCC[C@@H]1C ZINC000453190173 388005738 /nfs/dbraw/zinc/00/57/38/388005738.db2.gz CHLLXHNNTODPDO-QNWHQSFQSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@H]1CCCC[C@@H]1C ZINC000453190174 202705922 /nfs/dbraw/zinc/70/59/22/202705922.db2.gz CHLLXHNNTODPDO-RNJOBUHISA-N 1 0 236.359 3.540 20 0 BHADRO CCC[C@H]([NH2+]CCCCOC(C)C)C(C)(C)C ZINC000453193776 352465135 /nfs/dbraw/zinc/46/51/35/352465135.db2.gz MHUYCWUYGXNCJQ-AWEZNQCLSA-N 1 0 243.435 3.996 20 0 BHADRO CCC[C@@H]([NH2+]CCCCOC(C)C)C(C)(C)C ZINC000453193777 352465111 /nfs/dbraw/zinc/46/51/11/352465111.db2.gz MHUYCWUYGXNCJQ-CQSZACIVSA-N 1 0 243.435 3.996 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)CCOC)C(C)(C)C ZINC000453195565 388005954 /nfs/dbraw/zinc/00/59/54/388005954.db2.gz KUTMGKIGLLHWTD-CYBMUJFWSA-N 1 0 243.435 3.854 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)CCOC)C(C)(C)C ZINC000453195566 388006583 /nfs/dbraw/zinc/00/65/83/388006583.db2.gz KUTMGKIGLLHWTD-ZDUSSCGKSA-N 1 0 243.435 3.854 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000453198295 202706680 /nfs/dbraw/zinc/70/66/80/202706680.db2.gz NMJFNWDTKXWEHX-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000453198296 202706635 /nfs/dbraw/zinc/70/66/35/202706635.db2.gz NMJFNWDTKXWEHX-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000453198297 388008562 /nfs/dbraw/zinc/00/85/62/388008562.db2.gz NMJFNWDTKXWEHX-IJEWVQPXSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000453198298 202706577 /nfs/dbraw/zinc/70/65/77/202706577.db2.gz NMJFNWDTKXWEHX-YCPHGPKFSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1CCC1 ZINC000453199668 388008192 /nfs/dbraw/zinc/00/81/92/388008192.db2.gz KCTMPBMYRCTQFT-GXSJLCMTSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CCC1 ZINC000453199669 388008230 /nfs/dbraw/zinc/00/82/30/388008230.db2.gz KCTMPBMYRCTQFT-KOLCDFICSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CCC1 ZINC000453199670 388008473 /nfs/dbraw/zinc/00/84/73/388008473.db2.gz KCTMPBMYRCTQFT-MWLCHTKSSA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C1CCC1 ZINC000453199671 388008491 /nfs/dbraw/zinc/00/84/91/388008491.db2.gz KCTMPBMYRCTQFT-ONGXEEELSA-N 1 0 237.309 3.743 20 0 BHADRO CSCCCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453199672 388008640 /nfs/dbraw/zinc/00/86/40/388008640.db2.gz KDKCVJFPKCCDSF-AWEZNQCLSA-N 1 0 241.444 3.688 20 0 BHADRO CSCCCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453199673 202706728 /nfs/dbraw/zinc/70/67/28/202706728.db2.gz KDKCVJFPKCCDSF-CQSZACIVSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CC)c1ccncc1 ZINC000453200699 388008266 /nfs/dbraw/zinc/00/82/66/388008266.db2.gz APKCUBRYFKWTJK-CYBMUJFWSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC)c1ccncc1 ZINC000453200701 388008868 /nfs/dbraw/zinc/00/88/68/388008868.db2.gz APKCUBRYFKWTJK-ZDUSSCGKSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCC1 ZINC000453202309 388009412 /nfs/dbraw/zinc/00/94/12/388009412.db2.gz ABWUVJOVTDAYOS-LLVKDONJSA-N 1 0 249.320 3.887 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCC1 ZINC000453202310 388010459 /nfs/dbraw/zinc/01/04/59/388010459.db2.gz ABWUVJOVTDAYOS-NSHDSACASA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)C(F)(F)F ZINC000453202353 388008749 /nfs/dbraw/zinc/00/87/49/388008749.db2.gz OINWGGPIONAXOU-BXKDBHETSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)C(F)(F)F ZINC000453202355 388009388 /nfs/dbraw/zinc/00/93/88/388009388.db2.gz OINWGGPIONAXOU-CABZTGNLSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)C(F)(F)F ZINC000453202356 388001973 /nfs/dbraw/zinc/00/19/73/388001973.db2.gz OINWGGPIONAXOU-JOYOIKCWSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)C(F)(F)F ZINC000453202358 388001769 /nfs/dbraw/zinc/00/17/69/388001769.db2.gz OINWGGPIONAXOU-SKDRFNHKSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccncc1 ZINC000453205009 388009373 /nfs/dbraw/zinc/00/93/73/388009373.db2.gz CMYHQKCPXDTSJG-CFVMTHIKSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccncc1 ZINC000453205010 202707753 /nfs/dbraw/zinc/70/77/53/202707753.db2.gz CMYHQKCPXDTSJG-QEJZJMRPSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccncc1 ZINC000453205011 388010462 /nfs/dbraw/zinc/01/04/62/388010462.db2.gz CMYHQKCPXDTSJG-SNPRPXQTSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccncc1 ZINC000453205012 388009785 /nfs/dbraw/zinc/00/97/85/388009785.db2.gz CMYHQKCPXDTSJG-YUELXQCFSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCC1 ZINC000453210117 388011806 /nfs/dbraw/zinc/01/18/06/388011806.db2.gz FHXHPKWBIKJROK-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)F)CC1)C1CCC1 ZINC000453210120 388011732 /nfs/dbraw/zinc/01/17/32/388011732.db2.gz FHXHPKWBIKJROK-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000453210530 202708059 /nfs/dbraw/zinc/70/80/59/202708059.db2.gz CYPZMUVCWGDRDV-HZSPNIEDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000453210531 388011312 /nfs/dbraw/zinc/01/13/12/388011312.db2.gz CYPZMUVCWGDRDV-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000453210532 388011791 /nfs/dbraw/zinc/01/17/91/388011791.db2.gz CYPZMUVCWGDRDV-MELADBBJSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000453210533 202707650 /nfs/dbraw/zinc/70/76/50/202707650.db2.gz CYPZMUVCWGDRDV-RDBSUJKOSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C(C)(C)C ZINC000453210971 388011234 /nfs/dbraw/zinc/01/12/34/388011234.db2.gz ABMNKZLVBQAYDF-SRVKXCTJSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C(C)(C)C ZINC000453210978 388011644 /nfs/dbraw/zinc/01/16/44/388011644.db2.gz ABMNKZLVBQAYDF-TUAOUCFPSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C(C)(C)C ZINC000453210979 202707150 /nfs/dbraw/zinc/70/71/50/202707150.db2.gz ABMNKZLVBQAYDF-UTUOFQBUSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C(C)(C)C ZINC000453210981 388010862 /nfs/dbraw/zinc/01/08/62/388010862.db2.gz ABMNKZLVBQAYDF-WOPDTQHZSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C(F)F)CC2)cs1 ZINC000453211800 388011926 /nfs/dbraw/zinc/01/19/26/388011926.db2.gz HARYKVFLVRXVJR-SECBINFHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C(F)F)CC2)cs1 ZINC000453211801 388011964 /nfs/dbraw/zinc/01/19/64/388011964.db2.gz HARYKVFLVRXVJR-VIFPVBQESA-N 1 0 245.338 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CC1(SC)CC1)C(C)(C)C ZINC000453212218 388011845 /nfs/dbraw/zinc/01/18/45/388011845.db2.gz HNFIEXZOKOTORS-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC[C@H]([NH2+]CC1(SC)CC1)C(C)(C)C ZINC000453212223 517614023 /nfs/dbraw/zinc/61/40/23/517614023.db2.gz HNFIEXZOKOTORS-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC(C)(F)F ZINC000453213528 202710303 /nfs/dbraw/zinc/71/03/03/202710303.db2.gz CGJGQPHOQKWRMX-CYBMUJFWSA-N 1 0 239.309 3.617 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC(C)(F)F ZINC000453213529 388010867 /nfs/dbraw/zinc/01/08/67/388010867.db2.gz CGJGQPHOQKWRMX-ZDUSSCGKSA-N 1 0 239.309 3.617 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)c1cccnc1 ZINC000453215190 388012791 /nfs/dbraw/zinc/01/27/91/388012791.db2.gz FTDNAMRBVWDMAS-GFCCVEGCSA-N 1 0 242.313 3.558 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)c1cccnc1 ZINC000453215192 388013149 /nfs/dbraw/zinc/01/31/49/388013149.db2.gz FTDNAMRBVWDMAS-LBPRGKRZSA-N 1 0 242.313 3.558 20 0 BHADRO FC1(CC[NH2+][C@H](C2CC2)C2CCCC2)CCC1 ZINC000453216242 388013261 /nfs/dbraw/zinc/01/32/61/388013261.db2.gz GPKFLSMWUKORCG-AWEZNQCLSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@@H](C2CC2)C2CCCC2)CCC1 ZINC000453216249 202709238 /nfs/dbraw/zinc/70/92/38/202709238.db2.gz GPKFLSMWUKORCG-CQSZACIVSA-N 1 0 239.378 3.827 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(C)CC2)cs1 ZINC000453217592 388012672 /nfs/dbraw/zinc/01/26/72/388012672.db2.gz MEXMJVOZPBJXOU-LLVKDONJSA-N 1 0 223.385 3.897 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(C)CC2)cs1 ZINC000453217593 388012700 /nfs/dbraw/zinc/01/27/00/388012700.db2.gz MEXMJVOZPBJXOU-NSHDSACASA-N 1 0 223.385 3.897 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1C)c1ccncc1 ZINC000453217626 388012740 /nfs/dbraw/zinc/01/27/40/388012740.db2.gz MLMWPIJPNDPEEI-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscc1C)c1ccncc1 ZINC000453217627 202710762 /nfs/dbraw/zinc/71/07/62/202710762.db2.gz MLMWPIJPNDPEEI-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000453217933 388013294 /nfs/dbraw/zinc/01/32/94/388013294.db2.gz JPVOVNXGRGISAH-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000453217946 388013531 /nfs/dbraw/zinc/01/35/31/388013531.db2.gz JPVOVNXGRGISAH-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000453217948 388013577 /nfs/dbraw/zinc/01/35/77/388013577.db2.gz JPVOVNXGRGISAH-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000453217950 388013346 /nfs/dbraw/zinc/01/33/46/388013346.db2.gz JPVOVNXGRGISAH-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2(F)CCC2)cs1 ZINC000453218544 202710921 /nfs/dbraw/zinc/71/09/21/202710921.db2.gz ISJZGIQDWWSBQA-LLVKDONJSA-N 1 0 241.375 3.989 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2(F)CCC2)cs1 ZINC000453218545 202710111 /nfs/dbraw/zinc/71/01/11/202710111.db2.gz ISJZGIQDWWSBQA-NSHDSACASA-N 1 0 241.375 3.989 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(F)F)c1ccccn1 ZINC000453218701 388013569 /nfs/dbraw/zinc/01/35/69/388013569.db2.gz KVKBSMYMYVKKTD-LLVKDONJSA-N 1 0 242.313 3.558 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(F)F)c1ccccn1 ZINC000453218703 388013210 /nfs/dbraw/zinc/01/32/10/388013210.db2.gz KVKBSMYMYVKKTD-NSHDSACASA-N 1 0 242.313 3.558 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC1(C)CC1 ZINC000453218746 388012938 /nfs/dbraw/zinc/01/29/38/388012938.db2.gz NKRHTUUBSACMTJ-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CCC1(C)CC1 ZINC000453218747 388013440 /nfs/dbraw/zinc/01/34/40/388013440.db2.gz NKRHTUUBSACMTJ-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453219709 388014505 /nfs/dbraw/zinc/01/45/05/388014505.db2.gz SZLKXLYMETXOGR-HNNXBMFYSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453219710 388014915 /nfs/dbraw/zinc/01/49/15/388014915.db2.gz SZLKXLYMETXOGR-OAHLLOKOSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453219735 388014965 /nfs/dbraw/zinc/01/49/65/388014965.db2.gz TVTPIASPAIIUPI-AWEZNQCLSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453219736 388015031 /nfs/dbraw/zinc/01/50/31/388015031.db2.gz TVTPIASPAIIUPI-CQSZACIVSA-N 1 0 207.361 3.511 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453220682 388014314 /nfs/dbraw/zinc/01/43/14/388014314.db2.gz NSTBAXMWPKTWLY-GHMZBOCLSA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453220683 388014378 /nfs/dbraw/zinc/01/43/78/388014378.db2.gz NSTBAXMWPKTWLY-MNOVXSKESA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453220684 388014211 /nfs/dbraw/zinc/01/42/11/388014211.db2.gz NSTBAXMWPKTWLY-QWRGUYRKSA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453220685 388012823 /nfs/dbraw/zinc/01/28/23/388012823.db2.gz NSTBAXMWPKTWLY-WDEREUQCSA-N 1 0 237.309 3.540 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000453220710 388014743 /nfs/dbraw/zinc/01/47/43/388014743.db2.gz NZKBFYNUMCPPHC-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000453220711 202712351 /nfs/dbraw/zinc/71/23/51/202712351.db2.gz NZKBFYNUMCPPHC-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000453220712 388014158 /nfs/dbraw/zinc/01/41/58/388014158.db2.gz NZKBFYNUMCPPHC-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000453220713 388014410 /nfs/dbraw/zinc/01/44/10/388014410.db2.gz NZKBFYNUMCPPHC-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C1(C)CC1 ZINC000453222088 388014021 /nfs/dbraw/zinc/01/40/21/388014021.db2.gz PVVKJBYNZLKXHU-NEPJUHHUSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C1(C)CC1 ZINC000453222089 388014717 /nfs/dbraw/zinc/01/47/17/388014717.db2.gz PVVKJBYNZLKXHU-NWDGAFQWSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)C1(C)CC1 ZINC000453222090 388014337 /nfs/dbraw/zinc/01/43/37/388014337.db2.gz PVVKJBYNZLKXHU-RYUDHWBXSA-N 1 0 247.407 3.654 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C1(C)CC1 ZINC000453222091 202712422 /nfs/dbraw/zinc/71/24/22/202712422.db2.gz PVVKJBYNZLKXHU-VXGBXAGGSA-N 1 0 247.407 3.654 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000453222227 388014391 /nfs/dbraw/zinc/01/43/91/388014391.db2.gz KYQYQTHPJUTVNK-QJPTWQEYSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000453222228 388014977 /nfs/dbraw/zinc/01/49/77/388014977.db2.gz KYQYQTHPJUTVNK-SDDRHHMPSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccsc1 ZINC000453222229 388014115 /nfs/dbraw/zinc/01/41/15/388014115.db2.gz KYQYQTHPJUTVNK-UTUOFQBUSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccsc1 ZINC000453222230 388015051 /nfs/dbraw/zinc/01/50/51/388015051.db2.gz KYQYQTHPJUTVNK-WOPDTQHZSA-N 1 0 227.348 3.679 20 0 BHADRO CCC[C@H]([NH2+]C1CC(F)(F)C1)C(C)(C)C ZINC000453222251 202711814 /nfs/dbraw/zinc/71/18/14/202711814.db2.gz VNLCSKPDMDMQRO-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(F)(F)C1)C(C)(C)C ZINC000453222252 388013977 /nfs/dbraw/zinc/01/39/77/388013977.db2.gz VNLCSKPDMDMQRO-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H]([NH2+]CCc1cccc(C)n1)C(C)(C)C ZINC000453222569 388014787 /nfs/dbraw/zinc/01/47/87/388014787.db2.gz QOCFLQHLKQCTPA-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H]([NH2+]CCc1cccc(C)n1)C(C)(C)C ZINC000453222571 388014027 /nfs/dbraw/zinc/01/40/27/388014027.db2.gz QOCFLQHLKQCTPA-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(F)F)oc1C ZINC000453224634 388014229 /nfs/dbraw/zinc/01/42/29/388014229.db2.gz UDONKEKMQFWUHW-SECBINFHSA-N 1 0 231.286 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(F)F)oc1C ZINC000453224643 202712310 /nfs/dbraw/zinc/71/23/10/202712310.db2.gz UDONKEKMQFWUHW-VIFPVBQESA-N 1 0 231.286 3.592 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453224778 388014850 /nfs/dbraw/zinc/01/48/50/388014850.db2.gz WZBZKTRYSFNYJX-AWEZNQCLSA-N 1 0 248.414 3.819 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453224779 388015441 /nfs/dbraw/zinc/01/54/41/388015441.db2.gz WZBZKTRYSFNYJX-CQSZACIVSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000453224961 388016585 /nfs/dbraw/zinc/01/65/85/388016585.db2.gz CGJHSQUFLNYWIE-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000453224962 388015952 /nfs/dbraw/zinc/01/59/52/388015952.db2.gz CGJHSQUFLNYWIE-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000453224963 388013546 /nfs/dbraw/zinc/01/35/46/388013546.db2.gz CGJHSQUFLNYWIE-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000453224964 388013005 /nfs/dbraw/zinc/01/30/05/388013005.db2.gz CGJHSQUFLNYWIE-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC(F)(F)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453225428 388015984 /nfs/dbraw/zinc/01/59/84/388015984.db2.gz VWCUQSBNWRVOMU-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453225431 202711743 /nfs/dbraw/zinc/71/17/43/202711743.db2.gz VWCUQSBNWRVOMU-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000453225785 388016463 /nfs/dbraw/zinc/01/64/63/388016463.db2.gz BWYBLTOLJHGBAF-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2nccn2CC)CC1 ZINC000453225786 388016035 /nfs/dbraw/zinc/01/60/35/388016035.db2.gz BWYBLTOLJHGBAF-MGPQQGTHSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000453226287 388016030 /nfs/dbraw/zinc/01/60/30/388016030.db2.gz XNAQFUKHIHEVLV-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000453226288 388016210 /nfs/dbraw/zinc/01/62/10/388016210.db2.gz XNAQFUKHIHEVLV-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000453226290 202712017 /nfs/dbraw/zinc/71/20/17/202712017.db2.gz XNAQFUKHIHEVLV-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000453226294 388016142 /nfs/dbraw/zinc/01/61/42/388016142.db2.gz XNAQFUKHIHEVLV-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccncc1 ZINC000453226895 202712531 /nfs/dbraw/zinc/71/25/31/202712531.db2.gz PQOORPFLTIBHSS-CABCVRRESA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000453226897 388016371 /nfs/dbraw/zinc/01/63/71/388016371.db2.gz PQOORPFLTIBHSS-GJZGRUSLSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC1(C)C)c1ccncc1 ZINC000453226899 388016214 /nfs/dbraw/zinc/01/62/14/388016214.db2.gz PQOORPFLTIBHSS-HUUCEWRRSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000453226900 388016287 /nfs/dbraw/zinc/01/62/87/388016287.db2.gz PQOORPFLTIBHSS-LSDHHAIUSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC(C)(F)F ZINC000453227640 202712811 /nfs/dbraw/zinc/71/28/11/202712811.db2.gz YZBYGFMUPDQFRL-GHMZBOCLSA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC(C)(F)F ZINC000453227798 202711651 /nfs/dbraw/zinc/71/16/51/202711651.db2.gz YZBYGFMUPDQFRL-MNOVXSKESA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC(C)(F)F ZINC000453227799 388015512 /nfs/dbraw/zinc/01/55/12/388015512.db2.gz YZBYGFMUPDQFRL-QWRGUYRKSA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC(C)(F)F ZINC000453227801 388016090 /nfs/dbraw/zinc/01/60/90/388016090.db2.gz YZBYGFMUPDQFRL-WDEREUQCSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccsc1 ZINC000453229036 388016304 /nfs/dbraw/zinc/01/63/04/388016304.db2.gz PDTOUFRSDVGTGO-SRVKXCTJSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccsc1 ZINC000453229037 202713876 /nfs/dbraw/zinc/71/38/76/202713876.db2.gz PDTOUFRSDVGTGO-TUAOUCFPSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccsc1 ZINC000453229038 388016473 /nfs/dbraw/zinc/01/64/73/388016473.db2.gz PDTOUFRSDVGTGO-UTUOFQBUSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccsc1 ZINC000453229039 202713731 /nfs/dbraw/zinc/71/37/31/202713731.db2.gz PDTOUFRSDVGTGO-WOPDTQHZSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)c1ccncc1 ZINC000453229304 388015870 /nfs/dbraw/zinc/01/58/70/388015870.db2.gz GSKMPHQIIRQVAW-GFCCVEGCSA-N 1 0 242.313 3.558 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)c1ccncc1 ZINC000453229306 388016318 /nfs/dbraw/zinc/01/63/18/388016318.db2.gz GSKMPHQIIRQVAW-LBPRGKRZSA-N 1 0 242.313 3.558 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453229430 388017724 /nfs/dbraw/zinc/01/77/24/388017724.db2.gz QYLBQPCBLRUCAL-AWEZNQCLSA-N 1 0 246.398 3.571 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453229436 388018052 /nfs/dbraw/zinc/01/80/52/388018052.db2.gz QYLBQPCBLRUCAL-CQSZACIVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@H]([NH2+]CC1(C(F)F)CC1)C(C)(C)C ZINC000453229639 388018009 /nfs/dbraw/zinc/01/80/09/388018009.db2.gz VILSJZNLWHZVPL-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C(F)F)CC1)C(C)(C)C ZINC000453229641 202713494 /nfs/dbraw/zinc/71/34/94/202713494.db2.gz VILSJZNLWHZVPL-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453229681 388017938 /nfs/dbraw/zinc/01/79/38/388017938.db2.gz HISSDWOARYBGMP-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(F)CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000453229770 388017690 /nfs/dbraw/zinc/01/76/90/388017690.db2.gz CUQQESXBPTZAEQ-SHARSMKWSA-N 1 0 233.330 3.618 20 0 BHADRO CC1(F)CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000453229771 386256443 /nfs/dbraw/zinc/25/64/43/386256443.db2.gz CUQQESXBPTZAEQ-SLTAFYQDSA-N 1 0 233.330 3.618 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453230637 388017732 /nfs/dbraw/zinc/01/77/32/388017732.db2.gz HISSDWOARYBGMP-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cs1 ZINC000453230710 388017744 /nfs/dbraw/zinc/01/77/44/388017744.db2.gz SRAFWJWUJSNMKC-ADEWGFFLSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cs1 ZINC000453230718 388017846 /nfs/dbraw/zinc/01/78/46/388017846.db2.gz SRAFWJWUJSNMKC-JLLWLGSASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cs1 ZINC000453230721 388017472 /nfs/dbraw/zinc/01/74/72/388017472.db2.gz SRAFWJWUJSNMKC-WCQGTBRESA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cs1 ZINC000453230724 388017250 /nfs/dbraw/zinc/01/72/50/388017250.db2.gz SRAFWJWUJSNMKC-ZMLRMANQSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453230919 388017560 /nfs/dbraw/zinc/01/75/60/388017560.db2.gz WDVCZCLQXKDIFN-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453230925 388018070 /nfs/dbraw/zinc/01/80/70/388018070.db2.gz WDVCZCLQXKDIFN-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000453231333 388017771 /nfs/dbraw/zinc/01/77/71/388017771.db2.gz XVEUXRLISILXSH-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000453231335 388017925 /nfs/dbraw/zinc/01/79/25/388017925.db2.gz XVEUXRLISILXSH-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000453231336 388018107 /nfs/dbraw/zinc/01/81/07/388018107.db2.gz XVEUXRLISILXSH-OUAUKWLOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000453231338 388017446 /nfs/dbraw/zinc/01/74/46/388017446.db2.gz XVEUXRLISILXSH-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(F)c1 ZINC000453231556 388018131 /nfs/dbraw/zinc/01/81/31/388018131.db2.gz GAIUNWKSHOTJPB-MOKVOYLWSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(F)c1 ZINC000453231558 388017862 /nfs/dbraw/zinc/01/78/62/388017862.db2.gz GAIUNWKSHOTJPB-ROKHWSDSSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(C)C)c1ccncc1 ZINC000453232390 388017906 /nfs/dbraw/zinc/01/79/06/388017906.db2.gz VRECEYBYKONGJB-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(C)C)c1ccncc1 ZINC000453232392 388017388 /nfs/dbraw/zinc/01/73/88/388017388.db2.gz VRECEYBYKONGJB-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(F)F ZINC000453233171 388019382 /nfs/dbraw/zinc/01/93/82/388019382.db2.gz HHDQQKUWFHYFLI-GXSJLCMTSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCCC1)C(F)F ZINC000453233172 388019315 /nfs/dbraw/zinc/01/93/15/388019315.db2.gz HHDQQKUWFHYFLI-KOLCDFICSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCCCC1)C(F)F ZINC000453233173 388018985 /nfs/dbraw/zinc/01/89/85/388018985.db2.gz HHDQQKUWFHYFLI-MWLCHTKSSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)C(F)F ZINC000453233174 388019414 /nfs/dbraw/zinc/01/94/14/388019414.db2.gz HHDQQKUWFHYFLI-ONGXEEELSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H]([NH2+]CCC1(F)CCC1)C1CCC1 ZINC000453233784 388018735 /nfs/dbraw/zinc/01/87/35/388018735.db2.gz RYOIQFVGKJMYHI-CYBMUJFWSA-N 1 0 227.367 3.827 20 0 BHADRO CCC[C@H]([NH2+]CCC1(F)CCC1)C1CCC1 ZINC000453233791 388019244 /nfs/dbraw/zinc/01/92/44/388019244.db2.gz RYOIQFVGKJMYHI-ZDUSSCGKSA-N 1 0 227.367 3.827 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000453234399 388018806 /nfs/dbraw/zinc/01/88/06/388018806.db2.gz KWKZHWQEQQNJAD-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000453234402 388019458 /nfs/dbraw/zinc/01/94/58/388019458.db2.gz KWKZHWQEQQNJAD-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)c2ccccc21 ZINC000453234416 388018833 /nfs/dbraw/zinc/01/88/33/388018833.db2.gz IJFXDCPWCZXJOP-FEZMJDKJSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)c2ccccc21 ZINC000453234418 202713423 /nfs/dbraw/zinc/71/34/23/202713423.db2.gz IJFXDCPWCZXJOP-QSORXEQWSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)c2ccccc21 ZINC000453234420 388019125 /nfs/dbraw/zinc/01/91/25/388019125.db2.gz IJFXDCPWCZXJOP-UZBKSZPOSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)c2ccccc21 ZINC000453234422 202713190 /nfs/dbraw/zinc/71/31/90/202713190.db2.gz IJFXDCPWCZXJOP-XJZOAQGMSA-N 1 0 233.330 3.715 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(F)F)C(C)(C)C ZINC000453234503 200790104 /nfs/dbraw/zinc/79/01/04/200790104.db2.gz LERHVBSMNXQIOW-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(F)F)C(C)(C)C ZINC000453234505 386261769 /nfs/dbraw/zinc/26/17/69/386261769.db2.gz LERHVBSMNXQIOW-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccsc1 ZINC000453234592 388018571 /nfs/dbraw/zinc/01/85/71/388018571.db2.gz JALWKWHYXTZDQN-CXQJBGSLSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccsc1 ZINC000453234593 388015710 /nfs/dbraw/zinc/01/57/10/388015710.db2.gz JALWKWHYXTZDQN-MOENNCHZSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccncc1 ZINC000453234799 388018506 /nfs/dbraw/zinc/01/85/06/388018506.db2.gz WXHHZKJCZXUVHV-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccncc1 ZINC000453234802 388019619 /nfs/dbraw/zinc/01/96/19/388019619.db2.gz WXHHZKJCZXUVHV-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)F)CC1)c1ccsc1 ZINC000453234894 388018929 /nfs/dbraw/zinc/01/89/29/388018929.db2.gz YZXYUFOZRYQRTD-JTQLQIEISA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccsc1 ZINC000453234895 388018682 /nfs/dbraw/zinc/01/86/82/388018682.db2.gz YZXYUFOZRYQRTD-SNVBAGLBSA-N 1 0 245.338 3.834 20 0 BHADRO CC(C)CC[C@H]([NH2+]C1CC(C)(F)C1)C1CC1 ZINC000453235246 388019031 /nfs/dbraw/zinc/01/90/31/388019031.db2.gz JPDZKBPHEBJUHH-MOKVOYLWSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C1CC(C)(F)C1)C1CC1 ZINC000453235247 388019073 /nfs/dbraw/zinc/01/90/73/388019073.db2.gz JPDZKBPHEBJUHH-ROKHWSDSSA-N 1 0 227.367 3.681 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)(F)C1)C(C)(C)C ZINC000453235381 388019275 /nfs/dbraw/zinc/01/92/75/388019275.db2.gz KDTUPLOZKKPJNW-AKJDGMEZSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)(F)C1)C(C)(C)C ZINC000453235384 388019050 /nfs/dbraw/zinc/01/90/50/388019050.db2.gz KDTUPLOZKKPJNW-QWKFWESOSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1ccncn1 ZINC000453235624 388018751 /nfs/dbraw/zinc/01/87/51/388018751.db2.gz XRVFCJTYHFVINQ-CHWSQXEVSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ccncn1)CC(C)(C)C ZINC000453235625 388019481 /nfs/dbraw/zinc/01/94/81/388019481.db2.gz XRVFCJTYHFVINQ-OLZOCXBDSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)c1ccncn1)CC(C)(C)C ZINC000453235626 388019548 /nfs/dbraw/zinc/01/95/48/388019548.db2.gz XRVFCJTYHFVINQ-QWHCGFSZSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ccncn1)CC(C)(C)C ZINC000453235627 388019598 /nfs/dbraw/zinc/01/95/98/388019598.db2.gz XRVFCJTYHFVINQ-STQMWFEESA-N 1 0 249.402 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453235678 388019060 /nfs/dbraw/zinc/01/90/60/388019060.db2.gz ZYPJAJSZKNKHTA-GFCCVEGCSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453235680 388019212 /nfs/dbraw/zinc/01/92/12/388019212.db2.gz ZYPJAJSZKNKHTA-LBPRGKRZSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCC1(C)C ZINC000453236001 388019519 /nfs/dbraw/zinc/01/95/19/388019519.db2.gz UAMHJXLPRHYYKY-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC1(C)C ZINC000453236002 388018516 /nfs/dbraw/zinc/01/85/16/388018516.db2.gz UAMHJXLPRHYYKY-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC1(C)C ZINC000453236003 388018924 /nfs/dbraw/zinc/01/89/24/388018924.db2.gz UAMHJXLPRHYYKY-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCC1(C)C ZINC000453236006 388019158 /nfs/dbraw/zinc/01/91/58/388019158.db2.gz UAMHJXLPRHYYKY-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000453237037 388020464 /nfs/dbraw/zinc/02/04/64/388020464.db2.gz LWUMEDHZCBUPMD-SHARSMKWSA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000453237038 388020101 /nfs/dbraw/zinc/02/01/01/388020101.db2.gz LWUMEDHZCBUPMD-SLTAFYQDSA-N 1 0 235.346 3.864 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453237155 388020642 /nfs/dbraw/zinc/02/06/42/388020642.db2.gz OMFPERGBBYYTMO-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453237156 388021002 /nfs/dbraw/zinc/02/10/02/388021002.db2.gz OMFPERGBBYYTMO-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000453237180 388020494 /nfs/dbraw/zinc/02/04/94/388020494.db2.gz OTGJSHQPCINMGQ-GHMZBOCLSA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000453237181 388020951 /nfs/dbraw/zinc/02/09/51/388020951.db2.gz OTGJSHQPCINMGQ-MNOVXSKESA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000453237182 388020874 /nfs/dbraw/zinc/02/08/74/388020874.db2.gz OTGJSHQPCINMGQ-QWRGUYRKSA-N 1 0 237.309 3.540 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000453237183 388021123 /nfs/dbraw/zinc/02/11/23/388021123.db2.gz OTGJSHQPCINMGQ-WDEREUQCSA-N 1 0 237.309 3.540 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(C)c1 ZINC000453238126 388020926 /nfs/dbraw/zinc/02/09/26/388020926.db2.gz NOLZXNCXZRORJI-SHARSMKWSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(C)c1 ZINC000453238127 388020764 /nfs/dbraw/zinc/02/07/64/388020764.db2.gz NOLZXNCXZRORJI-SLTAFYQDSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cs1 ZINC000453238303 388020403 /nfs/dbraw/zinc/02/04/03/388020403.db2.gz WCGLUPSIHVQDQE-DLOVCJGASA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cs1 ZINC000453238304 388021173 /nfs/dbraw/zinc/02/11/73/388021173.db2.gz WCGLUPSIHVQDQE-MVWJERBFSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cs1 ZINC000453238305 388021077 /nfs/dbraw/zinc/02/10/77/388021077.db2.gz WCGLUPSIHVQDQE-WCQGTBRESA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cs1 ZINC000453238306 388020183 /nfs/dbraw/zinc/02/01/83/388020183.db2.gz WCGLUPSIHVQDQE-ZMLRMANQSA-N 1 0 227.348 3.598 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1csc(Cl)c1 ZINC000453238570 388020819 /nfs/dbraw/zinc/02/08/19/388020819.db2.gz OFJJSMXTKMAKRW-DSXZHNHRSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1csc(Cl)c1 ZINC000453238571 388021205 /nfs/dbraw/zinc/02/12/05/388021205.db2.gz OFJJSMXTKMAKRW-DUWLDVDNSA-N 1 0 247.766 3.943 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000453238605 388020179 /nfs/dbraw/zinc/02/01/79/388020179.db2.gz ONBHRLGSYQDQIA-CQLXCSJHSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000453238606 388020901 /nfs/dbraw/zinc/02/09/01/388020901.db2.gz ONBHRLGSYQDQIA-GMKTYKIGSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000453238607 388020086 /nfs/dbraw/zinc/02/00/86/388020086.db2.gz ONBHRLGSYQDQIA-IGJPJIBNSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CC(C)(F)C1 ZINC000453238609 388020326 /nfs/dbraw/zinc/02/03/26/388020326.db2.gz ONBHRLGSYQDQIA-QCXCNERSSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)c(F)c1 ZINC000453238655 388020411 /nfs/dbraw/zinc/02/04/11/388020411.db2.gz ABVTUXIUKUOFAW-LUHBLDKBSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)c(F)c1 ZINC000453238657 388020117 /nfs/dbraw/zinc/02/01/17/388020117.db2.gz ABVTUXIUKUOFAW-NCZMNARYSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000453239558 388020291 /nfs/dbraw/zinc/02/02/91/388020291.db2.gz PZKXIUSNJCIFMD-FXQLLDNDSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000453239559 388021088 /nfs/dbraw/zinc/02/10/88/388021088.db2.gz PZKXIUSNJCIFMD-GJIYVIHASA-N 1 0 247.357 3.659 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239796 388022007 /nfs/dbraw/zinc/02/20/07/388022007.db2.gz SXIWOJJXOOQRQM-HZMBPMFUSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239807 388021681 /nfs/dbraw/zinc/02/16/81/388021681.db2.gz SXIWOJJXOOQRQM-IINYFYTJSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239809 388022048 /nfs/dbraw/zinc/02/20/48/388022048.db2.gz SXIWOJJXOOQRQM-QMTHXVAHSA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239811 388021749 /nfs/dbraw/zinc/02/17/49/388021749.db2.gz SXIWOJJXOOQRQM-YGRLFVJLSA-N 1 0 221.319 3.591 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCC1 ZINC000453240014 388022167 /nfs/dbraw/zinc/02/21/67/388022167.db2.gz XRDCNLUZFCGSON-HTAVTVPLSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCC1 ZINC000453240015 388021559 /nfs/dbraw/zinc/02/15/59/388021559.db2.gz XRDCNLUZFCGSON-MCIGGMRASA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)C(C)(C)c1ccccc1 ZINC000453240206 388022391 /nfs/dbraw/zinc/02/23/91/388022391.db2.gz RVWDOIULSYVXNL-XEBKBJJBSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)C(C)(C)c1ccccc1 ZINC000453240207 388021963 /nfs/dbraw/zinc/02/19/63/388021963.db2.gz RVWDOIULSYVXNL-YGONEPDPSA-N 1 0 249.373 3.833 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC(C)(F)C1 ZINC000453240808 388021769 /nfs/dbraw/zinc/02/17/69/388021769.db2.gz SRTGPOHCDWZMKZ-HWOWSKLDSA-N 1 0 249.373 3.734 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC(C)(F)C1 ZINC000453240809 388021838 /nfs/dbraw/zinc/02/18/38/388021838.db2.gz SRTGPOHCDWZMKZ-PCKAHOCUSA-N 1 0 249.373 3.734 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000453241101 388022294 /nfs/dbraw/zinc/02/22/94/388022294.db2.gz VGRBKJMUUUJYNA-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000453241103 388022129 /nfs/dbraw/zinc/02/21/29/388022129.db2.gz VGRBKJMUUUJYNA-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000453241105 388022452 /nfs/dbraw/zinc/02/24/52/388022452.db2.gz VGRBKJMUUUJYNA-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000453241107 388021745 /nfs/dbraw/zinc/02/17/45/388021745.db2.gz VGRBKJMUUUJYNA-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CC(C)(F)C2)c1C ZINC000453241266 388021945 /nfs/dbraw/zinc/02/19/45/388021945.db2.gz UDCLVIMDYGXJOC-DNOWBOINSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CC(C)(F)C2)c1C ZINC000453241267 388022584 /nfs/dbraw/zinc/02/25/84/388022584.db2.gz UDCLVIMDYGXJOC-OPFPJEHXSA-N 1 0 235.346 3.845 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000453241507 388022026 /nfs/dbraw/zinc/02/20/26/388022026.db2.gz DILWSNJJNWQQFO-BLZCZZARSA-N 1 0 233.330 3.544 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000453241510 388021784 /nfs/dbraw/zinc/02/17/84/388021784.db2.gz DILWSNJJNWQQFO-HNFVBEJKSA-N 1 0 233.330 3.544 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc2c(c1)CCC2 ZINC000453241899 388022199 /nfs/dbraw/zinc/02/21/99/388022199.db2.gz DUOCPUPCXMNXGQ-SOISORPOSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc2c(c1)CCC2 ZINC000453241900 388022307 /nfs/dbraw/zinc/02/23/07/388022307.db2.gz DUOCPUPCXMNXGQ-VHWKEVPUSA-N 1 0 247.357 3.717 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000453242003 388022616 /nfs/dbraw/zinc/02/26/16/388022616.db2.gz DZWNRUBLAPFNDB-QGLTVNCISA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000453242005 388021872 /nfs/dbraw/zinc/02/18/72/388021872.db2.gz DZWNRUBLAPFNDB-VCANKDNSSA-N 1 0 235.346 3.790 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(Cl)c1 ZINC000453242594 388021692 /nfs/dbraw/zinc/02/16/92/388021692.db2.gz FIOITTKOAREITC-ALXWSUNGSA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(Cl)c1 ZINC000453242596 388021588 /nfs/dbraw/zinc/02/15/88/388021588.db2.gz FIOITTKOAREITC-UHEGKEBESA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(F)c1F ZINC000453243492 388023453 /nfs/dbraw/zinc/02/34/53/388023453.db2.gz XWPQWXQSAYPQND-BGQFSCJGSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(F)c1F ZINC000453243494 388024208 /nfs/dbraw/zinc/02/42/08/388024208.db2.gz XWPQWXQSAYPQND-BVDKZHGWSA-N 1 0 243.272 3.506 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCCC1)c1ccncc1 ZINC000453244057 388023463 /nfs/dbraw/zinc/02/34/63/388023463.db2.gz GSAHMLHBUFLCAX-HNNXBMFYSA-N 1 0 230.355 3.623 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCCC1)c1ccncc1 ZINC000453244060 388023303 /nfs/dbraw/zinc/02/33/03/388023303.db2.gz GSAHMLHBUFLCAX-OAHLLOKOSA-N 1 0 230.355 3.623 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(F)C2)cs1 ZINC000453244833 388023713 /nfs/dbraw/zinc/02/37/13/388023713.db2.gz ZHDFYJLDADGUBS-GCVQQVDUSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(F)C2)cs1 ZINC000453244836 388023627 /nfs/dbraw/zinc/02/36/27/388023627.db2.gz ZHDFYJLDADGUBS-OIKLOGQESA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453244986 352479329 /nfs/dbraw/zinc/47/93/29/352479329.db2.gz SXKPFOUGHIYMST-HNNXBMFYSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453245018 352478929 /nfs/dbraw/zinc/47/89/29/352478929.db2.gz SXKPFOUGHIYMST-OAHLLOKOSA-N 1 0 233.355 3.646 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(Cl)s1 ZINC000453245662 388023238 /nfs/dbraw/zinc/02/32/38/388023238.db2.gz IJXRLMGJFWTTCC-JYPKXMCJSA-N 1 0 247.766 3.943 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(Cl)s1 ZINC000453245665 388023224 /nfs/dbraw/zinc/02/32/24/388023224.db2.gz IJXRLMGJFWTTCC-OBEAGUGNSA-N 1 0 247.766 3.943 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)cc1 ZINC000453246403 388025250 /nfs/dbraw/zinc/02/52/50/388025250.db2.gz JEZHCHXFTHVWAQ-MOKVOYLWSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)cc1 ZINC000453246404 388025138 /nfs/dbraw/zinc/02/51/38/388025138.db2.gz JEZHCHXFTHVWAQ-ROKHWSDSSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(C)cc1 ZINC000453246807 388025280 /nfs/dbraw/zinc/02/52/80/388025280.db2.gz JHEBIUIRKWIGFA-SHARSMKWSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(C)cc1 ZINC000453246808 388025231 /nfs/dbraw/zinc/02/52/31/388025231.db2.gz JHEBIUIRKWIGFA-SLTAFYQDSA-N 1 0 235.346 3.926 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cc(F)ccc1F ZINC000453246872 388025530 /nfs/dbraw/zinc/02/55/30/388025530.db2.gz JPXLKBJPRUSURF-LUHBLDKBSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cc(F)ccc1F ZINC000453246873 388025409 /nfs/dbraw/zinc/02/54/09/388025409.db2.gz JPXLKBJPRUSURF-NCZMNARYSA-N 1 0 243.272 3.506 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453246883 229710156 /nfs/dbraw/zinc/71/01/56/229710156.db2.gz JTRSODWXAFFXAE-GRTSSRMGSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453246884 229710346 /nfs/dbraw/zinc/71/03/46/229710346.db2.gz JTRSODWXAFFXAE-LRVUVFPRSA-N 1 0 235.346 3.845 20 0 BHADRO FC1(F)CC(C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453247403 388025731 /nfs/dbraw/zinc/02/57/31/388025731.db2.gz VWIFCTQSWFBINO-CYBMUJFWSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453247404 202721310 /nfs/dbraw/zinc/72/13/10/202721310.db2.gz VWIFCTQSWFBINO-ZDUSSCGKSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccsc1 ZINC000453247440 388025278 /nfs/dbraw/zinc/02/52/78/388025278.db2.gz WDEMIZUEOWUGPG-GXSJLCMTSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccsc1 ZINC000453247441 388025337 /nfs/dbraw/zinc/02/53/37/388025337.db2.gz WDEMIZUEOWUGPG-KOLCDFICSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccsc1 ZINC000453247442 388024919 /nfs/dbraw/zinc/02/49/19/388024919.db2.gz WDEMIZUEOWUGPG-MWLCHTKSSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccsc1 ZINC000453247443 202721344 /nfs/dbraw/zinc/72/13/44/202721344.db2.gz WDEMIZUEOWUGPG-ONGXEEELSA-N 1 0 215.337 3.537 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)s1 ZINC000453247596 388025504 /nfs/dbraw/zinc/02/55/04/388025504.db2.gz KATJLMPWPPTJTO-JBLZRFIASA-N 1 0 241.375 3.852 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)s1 ZINC000453247597 388025365 /nfs/dbraw/zinc/02/53/65/388025365.db2.gz KATJLMPWPPTJTO-TTXORMCVSA-N 1 0 241.375 3.852 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cc2ccccc2o1 ZINC000453248291 388025274 /nfs/dbraw/zinc/02/52/74/388025274.db2.gz KZSVASAKQFOZIJ-CKQAKLJMSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cc2ccccc2o1 ZINC000453248292 388025572 /nfs/dbraw/zinc/02/55/72/388025572.db2.gz KZSVASAKQFOZIJ-VLRKGOCCSA-N 1 0 247.313 3.974 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453249416 388024975 /nfs/dbraw/zinc/02/49/75/388024975.db2.gz MFRVMUKFDOVPGU-LMWSTFAQSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453249417 388025007 /nfs/dbraw/zinc/02/50/07/388025007.db2.gz MFRVMUKFDOVPGU-XGNXJENSSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000453250277 388025035 /nfs/dbraw/zinc/02/50/35/388025035.db2.gz MPKQGLAUOTXJDG-CYBMUJFWSA-N 1 0 230.355 3.541 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000453250278 388025762 /nfs/dbraw/zinc/02/57/62/388025762.db2.gz MPKQGLAUOTXJDG-ZDUSSCGKSA-N 1 0 230.355 3.541 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC000453250920 388026730 /nfs/dbraw/zinc/02/67/30/388026730.db2.gz NBJCLRNGMUXPCD-CYBMUJFWSA-N 1 0 244.382 3.795 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1=CCCCC1 ZINC000453250921 388026503 /nfs/dbraw/zinc/02/65/03/388026503.db2.gz NBJCLRNGMUXPCD-ZDUSSCGKSA-N 1 0 244.382 3.795 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000453251549 202720069 /nfs/dbraw/zinc/72/00/69/202720069.db2.gz NIOXRNYSQUAFKD-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000453251551 202720491 /nfs/dbraw/zinc/72/04/91/202720491.db2.gz NIOXRNYSQUAFKD-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000453251553 388026461 /nfs/dbraw/zinc/02/64/61/388026461.db2.gz NIOXRNYSQUAFKD-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000453251555 388026640 /nfs/dbraw/zinc/02/66/40/388026640.db2.gz NIOXRNYSQUAFKD-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO CC1(F)CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000453251688 202720348 /nfs/dbraw/zinc/72/03/48/202720348.db2.gz NRNTYGQRUAHZBY-DMLGSKKGSA-N 1 0 239.359 3.606 20 0 BHADRO CC1(F)CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000453251691 202721094 /nfs/dbraw/zinc/72/10/94/202721094.db2.gz NRNTYGQRUAHZBY-QDYJBQRPSA-N 1 0 239.359 3.606 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1cccs1 ZINC000453252906 388026795 /nfs/dbraw/zinc/02/67/95/388026795.db2.gz OVATUTZLMHXVPG-SQLBVSGCSA-N 1 0 227.348 3.679 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1cccs1 ZINC000453252907 529583405 /nfs/dbraw/zinc/58/34/05/529583405.db2.gz OVATUTZLMHXVPG-YZRBJQDESA-N 1 0 227.348 3.679 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)s1 ZINC000453252910 388026775 /nfs/dbraw/zinc/02/67/75/388026775.db2.gz OWLBWPWFDWXYSK-BMQDGWLCSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)s1 ZINC000453252911 388026508 /nfs/dbraw/zinc/02/65/08/388026508.db2.gz OWLBWPWFDWXYSK-GRZMOONWSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(F)C2)c(C)s1 ZINC000453253346 202720132 /nfs/dbraw/zinc/72/01/32/202720132.db2.gz PLSRNXQVCNNZMR-CBZQXFMTSA-N 1 0 241.375 3.906 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(F)C2)c(C)s1 ZINC000453253351 388026658 /nfs/dbraw/zinc/02/66/58/388026658.db2.gz PLSRNXQVCNNZMR-FJJSSXBZSA-N 1 0 241.375 3.906 20 0 BHADRO CC[C@@H](N[C@@H](C)c1ccc(F)cc1)C(F)F ZINC000453254334 386285227 /nfs/dbraw/zinc/28/52/27/386285227.db2.gz YGDKSUXKCZHLHM-GZMMTYOYSA-N 1 0 231.261 3.520 20 0 BHADRO CC[C@H](N[C@H](C)c1ccc(F)cc1)C(F)F ZINC000453254336 386283374 /nfs/dbraw/zinc/28/33/74/386283374.db2.gz YGDKSUXKCZHLHM-KCJUWKMLSA-N 1 0 231.261 3.520 20 0 BHADRO CC[C@H](N[C@@H](C)c1ccc(F)cc1)C(F)F ZINC000453254338 386284889 /nfs/dbraw/zinc/28/48/89/386284889.db2.gz YGDKSUXKCZHLHM-KWQFWETISA-N 1 0 231.261 3.520 20 0 BHADRO CC[C@@H](N[C@H](C)c1ccc(F)cc1)C(F)F ZINC000453254340 386283860 /nfs/dbraw/zinc/28/38/60/386283860.db2.gz YGDKSUXKCZHLHM-LDYMZIIASA-N 1 0 231.261 3.520 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000453255498 388026437 /nfs/dbraw/zinc/02/64/37/388026437.db2.gz RYNGKHCEDDEMFD-MOKVOYLWSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccccc1 ZINC000453255501 388026265 /nfs/dbraw/zinc/02/62/65/388026265.db2.gz RYNGKHCEDDEMFD-ROKHWSDSSA-N 1 0 221.319 3.618 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453255808 386283332 /nfs/dbraw/zinc/28/33/32/386283332.db2.gz KYPZAPOAXVLNOK-JTQLQIEISA-N 1 0 221.319 3.591 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453255809 529374668 /nfs/dbraw/zinc/37/46/68/529374668.db2.gz KYPZAPOAXVLNOK-SNVBAGLBSA-N 1 0 221.319 3.591 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000453256486 388027911 /nfs/dbraw/zinc/02/79/11/388027911.db2.gz SZPFPKRGVHRPQY-DCBWTQNWSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000453256487 388028200 /nfs/dbraw/zinc/02/82/00/388028200.db2.gz SZPFPKRGVHRPQY-LKSINWNRSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)c(C)c1 ZINC000453257171 202721975 /nfs/dbraw/zinc/72/19/75/202721975.db2.gz UYTKVVMKLNMPMM-DNOWBOINSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)c(C)c1 ZINC000453257172 202722209 /nfs/dbraw/zinc/72/22/09/202722209.db2.gz UYTKVVMKLNMPMM-OPFPJEHXSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cc(F)cc(F)c1 ZINC000453258499 388027773 /nfs/dbraw/zinc/02/77/73/388027773.db2.gz WIAWXWQHOXAPSJ-LHKGTJRUSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cc(F)cc(F)c1 ZINC000453258500 388027595 /nfs/dbraw/zinc/02/75/95/388027595.db2.gz WIAWXWQHOXAPSJ-MWBRBAFOSA-N 1 0 243.272 3.506 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)cc1C ZINC000453259116 411482942 /nfs/dbraw/zinc/48/29/42/411482942.db2.gz WLLGFNMQNCAQNI-GRTSSRMGSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)cc1C ZINC000453259117 411482932 /nfs/dbraw/zinc/48/29/32/411482932.db2.gz WLLGFNMQNCAQNI-LRVUVFPRSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)cc1F ZINC000453259226 388028389 /nfs/dbraw/zinc/02/83/89/388028389.db2.gz WRISOLSCXJTNLK-LUHBLDKBSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(F)cc1F ZINC000453259228 388028982 /nfs/dbraw/zinc/02/89/82/388028982.db2.gz WRISOLSCXJTNLK-NCZMNARYSA-N 1 0 243.272 3.506 20 0 BHADRO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000453260435 388028465 /nfs/dbraw/zinc/02/84/65/388028465.db2.gz YCUATQDMIXBPSQ-KBPBESRZSA-N 1 0 225.351 3.605 20 0 BHADRO FCC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000453260438 388028272 /nfs/dbraw/zinc/02/82/72/388028272.db2.gz YCUATQDMIXBPSQ-KGLIPLIRSA-N 1 0 225.351 3.605 20 0 BHADRO FCC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000453260441 388027963 /nfs/dbraw/zinc/02/79/63/388027963.db2.gz YCUATQDMIXBPSQ-UONOGXRCSA-N 1 0 225.351 3.605 20 0 BHADRO FCC[C@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000453260445 388028093 /nfs/dbraw/zinc/02/80/93/388028093.db2.gz YCUATQDMIXBPSQ-ZIAGYGMSSA-N 1 0 225.351 3.605 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccccc1Cl ZINC000453260457 388028841 /nfs/dbraw/zinc/02/88/41/388028841.db2.gz YDYRPMZZGATLEO-JBLZRFIASA-N 1 0 241.737 3.881 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccccc1Cl ZINC000453260459 388028640 /nfs/dbraw/zinc/02/86/40/388028640.db2.gz YDYRPMZZGATLEO-TTXORMCVSA-N 1 0 241.737 3.881 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000453261771 202721989 /nfs/dbraw/zinc/72/19/89/202721989.db2.gz YZLQJFCVUKQUST-BMQDGWLCSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000453261772 388028368 /nfs/dbraw/zinc/02/83/68/388028368.db2.gz YZLQJFCVUKQUST-GRZMOONWSA-N 1 0 227.348 3.598 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453262368 388029027 /nfs/dbraw/zinc/02/90/27/388029027.db2.gz ZLDKCHLWJUJEOJ-DNOWBOINSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2CC(C)(F)C2)c1 ZINC000453262369 388028044 /nfs/dbraw/zinc/02/80/44/388028044.db2.gz ZLDKCHLWJUJEOJ-OPFPJEHXSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000453262372 388028447 /nfs/dbraw/zinc/02/84/47/388028447.db2.gz ZLVPLBSFXVHAPK-LMWSTFAQSA-N 1 0 221.319 3.536 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000453262373 202721644 /nfs/dbraw/zinc/72/16/44/202721644.db2.gz ZLVPLBSFXVHAPK-XGNXJENSSA-N 1 0 221.319 3.536 20 0 BHADRO CC(C)[C@H]([NH2+]CC1=CCCCC1)c1cccnc1 ZINC000453262465 202721837 /nfs/dbraw/zinc/72/18/37/202721837.db2.gz ZXECGFWKICCEMO-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1=CCCCC1)c1cccnc1 ZINC000453262467 388027680 /nfs/dbraw/zinc/02/76/80/388027680.db2.gz ZXECGFWKICCEMO-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)c2ccccc2O1 ZINC000453267179 388030497 /nfs/dbraw/zinc/03/04/97/388030497.db2.gz HEVUQSLABGZYTF-KYOSRNDESA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)c2ccccc2O1 ZINC000453267180 388030516 /nfs/dbraw/zinc/03/05/16/388030516.db2.gz HEVUQSLABGZYTF-UXIGCNINSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1(C)CC1 ZINC000453269421 202723480 /nfs/dbraw/zinc/72/34/80/202723480.db2.gz MQLNFOCSXCCAOZ-MBNYWOFBSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1(C)CC1 ZINC000453269425 386300845 /nfs/dbraw/zinc/30/08/45/386300845.db2.gz MQLNFOCSXCCAOZ-YRGRVCCFSA-N 1 0 245.366 3.677 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000453273932 386301539 /nfs/dbraw/zinc/30/15/39/386301539.db2.gz AENGGNDRKQOBJL-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000453273933 200790289 /nfs/dbraw/zinc/79/02/89/200790289.db2.gz AENGGNDRKQOBJL-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1CC1 ZINC000453275239 388031406 /nfs/dbraw/zinc/03/14/06/388031406.db2.gz XDRNRBCVQLEXEC-BYCMXARLSA-N 1 0 245.366 3.677 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)C1CC1 ZINC000453275241 388031586 /nfs/dbraw/zinc/03/15/86/388031586.db2.gz XDRNRBCVQLEXEC-KCPJHIHWSA-N 1 0 245.366 3.677 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000453275490 388031413 /nfs/dbraw/zinc/03/14/13/388031413.db2.gz FKDSITOKOVJRKD-KBPBESRZSA-N 1 0 227.392 3.526 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000453275491 202725023 /nfs/dbraw/zinc/72/50/23/202725023.db2.gz FKDSITOKOVJRKD-KGLIPLIRSA-N 1 0 227.392 3.526 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000453275492 388031417 /nfs/dbraw/zinc/03/14/17/388031417.db2.gz FKDSITOKOVJRKD-UONOGXRCSA-N 1 0 227.392 3.526 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000453275493 388031241 /nfs/dbraw/zinc/03/12/41/388031241.db2.gz FKDSITOKOVJRKD-ZIAGYGMSSA-N 1 0 227.392 3.526 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000453275674 388030956 /nfs/dbraw/zinc/03/09/56/388030956.db2.gz BTAAGJDLIMIEJV-MRVPVSSYSA-N 1 0 243.272 3.697 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000453275677 388031269 /nfs/dbraw/zinc/03/12/69/388031269.db2.gz BTAAGJDLIMIEJV-QMMMGPOBSA-N 1 0 243.272 3.697 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cncs1 ZINC000453277715 388031820 /nfs/dbraw/zinc/03/18/20/388031820.db2.gz BOHAVFINUOZTRQ-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000453277718 388031837 /nfs/dbraw/zinc/03/18/37/388031837.db2.gz BOHAVFINUOZTRQ-QJPTWQEYSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000453277720 202725359 /nfs/dbraw/zinc/72/53/59/202725359.db2.gz BOHAVFINUOZTRQ-TUAOUCFPSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cncs1 ZINC000453277722 388031655 /nfs/dbraw/zinc/03/16/55/388031655.db2.gz BOHAVFINUOZTRQ-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000453279564 388030980 /nfs/dbraw/zinc/03/09/80/388030980.db2.gz FPETZECWIRGORD-GUTXKFCHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000453279570 388031267 /nfs/dbraw/zinc/03/12/67/388031267.db2.gz FPETZECWIRGORD-GZBFAFLISA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000453279574 388031814 /nfs/dbraw/zinc/03/18/14/388031814.db2.gz FPETZECWIRGORD-NFAWXSAZSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000453279577 388031640 /nfs/dbraw/zinc/03/16/40/388031640.db2.gz FPETZECWIRGORD-UMVBOHGHSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1nccnc1C)C(C)(C)C ZINC000453281481 388032400 /nfs/dbraw/zinc/03/24/00/388032400.db2.gz CNQGTJRHHDIQFN-CHWSQXEVSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1nccnc1C)C(C)(C)C ZINC000453281482 388032389 /nfs/dbraw/zinc/03/23/89/388032389.db2.gz CNQGTJRHHDIQFN-OLZOCXBDSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1nccnc1C)C(C)(C)C ZINC000453281483 388032421 /nfs/dbraw/zinc/03/24/21/388032421.db2.gz CNQGTJRHHDIQFN-QWHCGFSZSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1nccnc1C)C(C)(C)C ZINC000453281484 388033062 /nfs/dbraw/zinc/03/30/62/388033062.db2.gz CNQGTJRHHDIQFN-STQMWFEESA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccnc(C)c1)C(C)(C)C ZINC000453281594 388033208 /nfs/dbraw/zinc/03/32/08/388033208.db2.gz HGHVVBQMIHHSFH-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccnc(C)c1)C(C)(C)C ZINC000453281596 388032754 /nfs/dbraw/zinc/03/27/54/388032754.db2.gz HGHVVBQMIHHSFH-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453281787 386321799 /nfs/dbraw/zinc/32/17/99/386321799.db2.gz HKMXAZKGIKOZAM-DCAQKATOSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453281791 386323581 /nfs/dbraw/zinc/32/35/81/386323581.db2.gz HKMXAZKGIKOZAM-VWYCJHECSA-N 1 0 237.309 3.886 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282400 388032915 /nfs/dbraw/zinc/03/29/15/388032915.db2.gz DNDVGECWVAAVNA-AAEUAGOBSA-N 1 0 238.375 3.848 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282401 388032272 /nfs/dbraw/zinc/03/22/72/388032272.db2.gz DNDVGECWVAAVNA-DGCLKSJQSA-N 1 0 238.375 3.848 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282402 388032293 /nfs/dbraw/zinc/03/22/93/388032293.db2.gz DNDVGECWVAAVNA-WCQYABFASA-N 1 0 238.375 3.848 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282403 388033081 /nfs/dbraw/zinc/03/30/81/388033081.db2.gz DNDVGECWVAAVNA-YPMHNXCESA-N 1 0 238.375 3.848 20 0 BHADRO CCC1([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000453282892 388032795 /nfs/dbraw/zinc/03/27/95/388032795.db2.gz IBPKDKXPHDXNCI-LLVKDONJSA-N 1 0 249.402 3.540 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000453282898 388032682 /nfs/dbraw/zinc/03/26/82/388032682.db2.gz IBPKDKXPHDXNCI-NSHDSACASA-N 1 0 249.402 3.540 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H](C)C2CC2)C2CCC2)o1 ZINC000453283191 388032764 /nfs/dbraw/zinc/03/27/64/388032764.db2.gz DUZUBDLZWKPDHY-NHYWBVRUSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H](C)C2CC2)C2CCC2)o1 ZINC000453283192 388032463 /nfs/dbraw/zinc/03/24/63/388032463.db2.gz DUZUBDLZWKPDHY-XHDPSFHLSA-N 1 0 233.355 3.817 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)[C@H]1CCOC1)C(C)(C)C ZINC000453283362 388032467 /nfs/dbraw/zinc/03/24/67/388032467.db2.gz FGZADYMGZRJUHB-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@@H]1CCOC1)C(C)(C)C ZINC000453283363 388032484 /nfs/dbraw/zinc/03/24/84/388032484.db2.gz FGZADYMGZRJUHB-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@H]1CCOC1)C(C)(C)C ZINC000453283364 388032518 /nfs/dbraw/zinc/03/25/18/388032518.db2.gz FGZADYMGZRJUHB-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)[C@@H]1CCOC1)C(C)(C)C ZINC000453283365 388032931 /nfs/dbraw/zinc/03/29/31/388032931.db2.gz FGZADYMGZRJUHB-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000453283948 388033147 /nfs/dbraw/zinc/03/31/47/388033147.db2.gz IVEKNTCQKYSTRL-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000453283950 388032567 /nfs/dbraw/zinc/03/25/67/388032567.db2.gz IVEKNTCQKYSTRL-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000453285146 386333614 /nfs/dbraw/zinc/33/36/14/386333614.db2.gz LPGOKBXFKNHGNK-KFWWJZLASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000453285147 219886758 /nfs/dbraw/zinc/88/67/58/219886758.db2.gz LPGOKBXFKNHGNK-RBSFLKMASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453285149 386333165 /nfs/dbraw/zinc/33/31/65/386333165.db2.gz LPGOKBXFKNHGNK-RRFJBIMHSA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453285150 386333141 /nfs/dbraw/zinc/33/31/41/386333141.db2.gz LPGOKBXFKNHGNK-ZNMIVQPWSA-N 1 0 246.398 3.867 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000453285372 388034748 /nfs/dbraw/zinc/03/47/48/388034748.db2.gz JLUPTLMJNALAHM-QEJZJMRPSA-N 1 0 229.367 3.711 20 0 BHADRO CCC1([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000453285375 388033782 /nfs/dbraw/zinc/03/37/82/388033782.db2.gz JLUPTLMJNALAHM-SNPRPXQTSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1cccc(OC)c1 ZINC000453285509 388033774 /nfs/dbraw/zinc/03/37/74/388033774.db2.gz KCVIZAMBYNYOJS-AWEZNQCLSA-N 1 0 233.355 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1cccc(OC)c1 ZINC000453285511 388034687 /nfs/dbraw/zinc/03/46/87/388034687.db2.gz KCVIZAMBYNYOJS-CQSZACIVSA-N 1 0 233.355 3.679 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000453285518 388034719 /nfs/dbraw/zinc/03/47/19/388034719.db2.gz KEBPPZWFLZJSJH-DZGCQCFKSA-N 1 0 244.382 3.640 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000453285519 388034371 /nfs/dbraw/zinc/03/43/71/388034371.db2.gz KEBPPZWFLZJSJH-HIFRSBDPSA-N 1 0 244.382 3.640 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000453285520 388034559 /nfs/dbraw/zinc/03/45/59/388034559.db2.gz KEBPPZWFLZJSJH-UKRRQHHQSA-N 1 0 244.382 3.640 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000453285521 388033818 /nfs/dbraw/zinc/03/38/18/388033818.db2.gz KEBPPZWFLZJSJH-ZFWWWQNUSA-N 1 0 244.382 3.640 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H](C)C2CC2)C2CCC2)o1 ZINC000453286719 388034160 /nfs/dbraw/zinc/03/41/60/388034160.db2.gz DUZUBDLZWKPDHY-ABAIWWIYSA-N 1 0 233.355 3.817 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H](C)C2CC2)C2CCC2)o1 ZINC000453286721 388034588 /nfs/dbraw/zinc/03/45/88/388034588.db2.gz DUZUBDLZWKPDHY-IAQYHMDHSA-N 1 0 233.355 3.817 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)C(C)(C)C ZINC000453286723 388034440 /nfs/dbraw/zinc/03/44/40/388034440.db2.gz ICSVOLOQPBECGK-GXTWGEPZSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cccnc1)C(C)(C)C ZINC000453286726 388033923 /nfs/dbraw/zinc/03/39/23/388033923.db2.gz ICSVOLOQPBECGK-JSGCOSHPSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cccnc1)C(C)(C)C ZINC000453286729 388034684 /nfs/dbraw/zinc/03/46/84/388034684.db2.gz ICSVOLOQPBECGK-OCCSQVGLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cccnc1)C(C)(C)C ZINC000453286732 388034678 /nfs/dbraw/zinc/03/46/78/388034678.db2.gz ICSVOLOQPBECGK-TZMCWYRMSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1nccs1 ZINC000453286892 388034736 /nfs/dbraw/zinc/03/47/36/388034736.db2.gz NJRXVACLOOGERW-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1nccs1 ZINC000453286895 388034655 /nfs/dbraw/zinc/03/46/55/388034655.db2.gz NJRXVACLOOGERW-QJPTWQEYSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1nccs1 ZINC000453286900 388034216 /nfs/dbraw/zinc/03/42/16/388034216.db2.gz NJRXVACLOOGERW-TUAOUCFPSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1nccs1 ZINC000453286904 388033889 /nfs/dbraw/zinc/03/38/89/388033889.db2.gz NJRXVACLOOGERW-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1CC)c1ccncc1 ZINC000453286907 388034538 /nfs/dbraw/zinc/03/45/38/388034538.db2.gz NKAGIODOMXWNDY-BMFZPTHFSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1CC)c1ccncc1 ZINC000453286911 388034248 /nfs/dbraw/zinc/03/42/48/388034248.db2.gz NKAGIODOMXWNDY-BPUTZDHNSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1CC)c1ccncc1 ZINC000453286915 388034576 /nfs/dbraw/zinc/03/45/76/388034576.db2.gz NKAGIODOMXWNDY-IMJJTQAJSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1CC)c1ccncc1 ZINC000453286918 388034580 /nfs/dbraw/zinc/03/45/80/388034580.db2.gz NKAGIODOMXWNDY-KBMXLJTQSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)C(C)(C)C ZINC000453287123 388033797 /nfs/dbraw/zinc/03/37/97/388033797.db2.gz IXUYXMOPAZHCRT-CYBMUJFWSA-N 1 0 248.414 3.774 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccccn1)C(C)(C)C ZINC000453287127 388034213 /nfs/dbraw/zinc/03/42/13/388034213.db2.gz IXUYXMOPAZHCRT-ZDUSSCGKSA-N 1 0 248.414 3.774 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453287193 711763858 /nfs/dbraw/zinc/76/38/58/711763858.db2.gz PSOBJOVZASUGTJ-GXTWGEPZSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453287195 711956920 /nfs/dbraw/zinc/95/69/20/711956920.db2.gz PSOBJOVZASUGTJ-JSGCOSHPSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453287197 711956764 /nfs/dbraw/zinc/95/67/64/711956764.db2.gz PSOBJOVZASUGTJ-OCCSQVGLSA-N 1 0 247.386 3.512 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453287200 711956811 /nfs/dbraw/zinc/95/68/11/711956811.db2.gz PSOBJOVZASUGTJ-TZMCWYRMSA-N 1 0 247.386 3.512 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000453288950 388033994 /nfs/dbraw/zinc/03/39/94/388033994.db2.gz MBFJBOJWQKGFFY-AEGPPILISA-N 1 0 229.367 3.711 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000453288952 388034111 /nfs/dbraw/zinc/03/41/11/388034111.db2.gz MBFJBOJWQKGFFY-BPLDGKMQSA-N 1 0 229.367 3.711 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000453288954 388034366 /nfs/dbraw/zinc/03/43/66/388034366.db2.gz MBFJBOJWQKGFFY-NWANDNLSSA-N 1 0 229.367 3.711 20 0 BHADRO CCC1([NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000453288956 388034283 /nfs/dbraw/zinc/03/42/83/388034283.db2.gz MBFJBOJWQKGFFY-VHDGCEQUSA-N 1 0 229.367 3.711 20 0 BHADRO CCc1nc(C)c([C@H](C)[NH2+]C2(CC)CC2)s1 ZINC000453289878 388035578 /nfs/dbraw/zinc/03/55/78/388035578.db2.gz MPEKHTTVCHXGPH-JTQLQIEISA-N 1 0 238.400 3.607 20 0 BHADRO CCc1nc(C)c([C@@H](C)[NH2+]C2(CC)CC2)s1 ZINC000453289879 388036115 /nfs/dbraw/zinc/03/61/15/388036115.db2.gz MPEKHTTVCHXGPH-SNVBAGLBSA-N 1 0 238.400 3.607 20 0 BHADRO CCC1([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000453289933 388035953 /nfs/dbraw/zinc/03/59/53/388035953.db2.gz MTHLOTQYQADUJY-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO CCC1([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000453289934 388035458 /nfs/dbraw/zinc/03/54/58/388035458.db2.gz MTHLOTQYQADUJY-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCCOC)C(C)(C)C ZINC000453290223 388036207 /nfs/dbraw/zinc/03/62/07/388036207.db2.gz LJUYMKRWHZEQKK-CHWSQXEVSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCCOC)C(C)(C)C ZINC000453290227 388035465 /nfs/dbraw/zinc/03/54/65/388035465.db2.gz LJUYMKRWHZEQKK-OLZOCXBDSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCCOC)C(C)(C)C ZINC000453290229 388031058 /nfs/dbraw/zinc/03/10/58/388031058.db2.gz LJUYMKRWHZEQKK-QWHCGFSZSA-N 1 0 229.408 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCCOC)C(C)(C)C ZINC000453290232 388031089 /nfs/dbraw/zinc/03/10/89/388031089.db2.gz LJUYMKRWHZEQKK-STQMWFEESA-N 1 0 229.408 3.606 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000453290267 388035912 /nfs/dbraw/zinc/03/59/12/388035912.db2.gz REDVOYNCFBERMA-KFWWJZLASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000453290271 388036271 /nfs/dbraw/zinc/03/62/71/388036271.db2.gz REDVOYNCFBERMA-RBSFLKMASA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000453290275 388036089 /nfs/dbraw/zinc/03/60/89/388036089.db2.gz REDVOYNCFBERMA-RRFJBIMHSA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000453290279 386356773 /nfs/dbraw/zinc/35/67/73/386356773.db2.gz REDVOYNCFBERMA-ZNMIVQPWSA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291413 388035772 /nfs/dbraw/zinc/03/57/72/388035772.db2.gz ULALRRBRUKEABH-KBPBESRZSA-N 1 0 249.402 3.596 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291415 388036355 /nfs/dbraw/zinc/03/63/55/388036355.db2.gz ULALRRBRUKEABH-KGLIPLIRSA-N 1 0 249.402 3.596 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291416 388036325 /nfs/dbraw/zinc/03/63/25/388036325.db2.gz ULALRRBRUKEABH-UONOGXRCSA-N 1 0 249.402 3.596 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291417 386352180 /nfs/dbraw/zinc/35/21/80/386352180.db2.gz ULALRRBRUKEABH-ZIAGYGMSSA-N 1 0 249.402 3.596 20 0 BHADRO CCC1([NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000453291509 388035434 /nfs/dbraw/zinc/03/54/34/388035434.db2.gz NKTWURNFIDWWAY-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO CCC1([NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000453291510 388035393 /nfs/dbraw/zinc/03/53/93/388035393.db2.gz NKTWURNFIDWWAY-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO CCC1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000453292525 388035159 /nfs/dbraw/zinc/03/51/59/388035159.db2.gz OAGKNJDOCVDFLH-CABCVRRESA-N 1 0 229.367 3.855 20 0 BHADRO CCC1([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000453292526 388035267 /nfs/dbraw/zinc/03/52/67/388035267.db2.gz OAGKNJDOCVDFLH-GJZGRUSLSA-N 1 0 229.367 3.855 20 0 BHADRO CCC1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000453292527 388036330 /nfs/dbraw/zinc/03/63/30/388036330.db2.gz OAGKNJDOCVDFLH-HUUCEWRRSA-N 1 0 229.367 3.855 20 0 BHADRO CCC1([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000453292528 388036009 /nfs/dbraw/zinc/03/60/09/388036009.db2.gz OAGKNJDOCVDFLH-LSDHHAIUSA-N 1 0 229.367 3.855 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000453292878 388037345 /nfs/dbraw/zinc/03/73/45/388037345.db2.gz PAGPTTCPLLGWNR-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000453292881 388036944 /nfs/dbraw/zinc/03/69/44/388036944.db2.gz PAGPTTCPLLGWNR-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000453292883 388037030 /nfs/dbraw/zinc/03/70/30/388037030.db2.gz PAGPTTCPLLGWNR-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000453292887 388036941 /nfs/dbraw/zinc/03/69/41/388036941.db2.gz PAGPTTCPLLGWNR-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)c2ccccc21)C1CC1 ZINC000453294104 386359908 /nfs/dbraw/zinc/35/99/08/386359908.db2.gz QUZFNZKABYSTMO-FIXISWKDSA-N 1 0 215.340 3.623 20 0 BHADRO CCC1([NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000453294856 388037336 /nfs/dbraw/zinc/03/73/36/388037336.db2.gz PNNXVZYDCWFLSN-CHWSQXEVSA-N 1 0 217.356 3.711 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000453294857 388037457 /nfs/dbraw/zinc/03/74/57/388037457.db2.gz PNNXVZYDCWFLSN-OLZOCXBDSA-N 1 0 217.356 3.711 20 0 BHADRO CCC1([NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000453294859 388036627 /nfs/dbraw/zinc/03/66/27/388036627.db2.gz PNNXVZYDCWFLSN-QWHCGFSZSA-N 1 0 217.356 3.711 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000453294862 388036730 /nfs/dbraw/zinc/03/67/30/388036730.db2.gz PNNXVZYDCWFLSN-STQMWFEESA-N 1 0 217.356 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)c2ccccc21)C1CC1 ZINC000453294905 386360604 /nfs/dbraw/zinc/36/06/04/386360604.db2.gz QUZFNZKABYSTMO-RWSFTLGLSA-N 1 0 215.340 3.623 20 0 BHADRO CCC1([NH2+][C@H](C)Cc2ccccc2SC)CC1 ZINC000453294914 388037313 /nfs/dbraw/zinc/03/73/13/388037313.db2.gz PPIPKJFSQJJOPX-GFCCVEGCSA-N 1 0 249.423 3.872 20 0 BHADRO CCC1([NH2+][C@@H](C)Cc2ccccc2SC)CC1 ZINC000453294919 388036916 /nfs/dbraw/zinc/03/69/16/388036916.db2.gz PPIPKJFSQJJOPX-LBPRGKRZSA-N 1 0 249.423 3.872 20 0 BHADRO CCC1([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000453294998 388037183 /nfs/dbraw/zinc/03/71/83/388037183.db2.gz PUKWOXQCXUZWIM-CHWSQXEVSA-N 1 0 247.382 3.719 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000453294999 388037597 /nfs/dbraw/zinc/03/75/97/388037597.db2.gz PUKWOXQCXUZWIM-OLZOCXBDSA-N 1 0 247.382 3.719 20 0 BHADRO CCC1([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000453295000 388037250 /nfs/dbraw/zinc/03/72/50/388037250.db2.gz PUKWOXQCXUZWIM-QWHCGFSZSA-N 1 0 247.382 3.719 20 0 BHADRO CCC1([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000453295001 388036746 /nfs/dbraw/zinc/03/67/46/388036746.db2.gz PUKWOXQCXUZWIM-STQMWFEESA-N 1 0 247.382 3.719 20 0 BHADRO CCC1([NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000453295019 388036733 /nfs/dbraw/zinc/03/67/33/388036733.db2.gz PXZOFLFMLLQQMA-GFCCVEGCSA-N 1 0 247.386 3.591 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000453295020 388036803 /nfs/dbraw/zinc/03/68/03/388036803.db2.gz PXZOFLFMLLQQMA-LBPRGKRZSA-N 1 0 247.386 3.591 20 0 BHADRO CCC1([NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000453296193 388037590 /nfs/dbraw/zinc/03/75/90/388037590.db2.gz RDDCXMFJMRAGOM-AWEZNQCLSA-N 1 0 215.340 3.515 20 0 BHADRO CCC1([NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000453296195 388036828 /nfs/dbraw/zinc/03/68/28/388036828.db2.gz RDDCXMFJMRAGOM-CQSZACIVSA-N 1 0 215.340 3.515 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000453296814 711956949 /nfs/dbraw/zinc/95/69/49/711956949.db2.gz QXBPJUOCYOEZPU-GXTWGEPZSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000453296815 711956615 /nfs/dbraw/zinc/95/66/15/711956615.db2.gz QXBPJUOCYOEZPU-JSGCOSHPSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000453296816 711957017 /nfs/dbraw/zinc/95/70/17/711957017.db2.gz QXBPJUOCYOEZPU-OCCSQVGLSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000453296817 711956852 /nfs/dbraw/zinc/95/68/52/711956852.db2.gz QXBPJUOCYOEZPU-TZMCWYRMSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000453297540 388038051 /nfs/dbraw/zinc/03/80/51/388038051.db2.gz ZPBROLFZVHKPMU-GUTXKFCHSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000453297541 388038343 /nfs/dbraw/zinc/03/83/43/388038343.db2.gz ZPBROLFZVHKPMU-GZBFAFLISA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000453297542 388038308 /nfs/dbraw/zinc/03/83/08/388038308.db2.gz ZPBROLFZVHKPMU-NFAWXSAZSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000453297543 388038223 /nfs/dbraw/zinc/03/82/23/388038223.db2.gz ZPBROLFZVHKPMU-UMVBOHGHSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000453299070 388038513 /nfs/dbraw/zinc/03/85/13/388038513.db2.gz UEZJAZUQROSAKV-GFCCVEGCSA-N 1 0 243.350 3.896 20 0 BHADRO CCC1([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000453299071 388038832 /nfs/dbraw/zinc/03/88/32/388038832.db2.gz UEZJAZUQROSAKV-LBPRGKRZSA-N 1 0 243.350 3.896 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1)C(C)(C)C ZINC000453299189 388038626 /nfs/dbraw/zinc/03/86/26/388038626.db2.gz UGWUSLCSVLKFNP-GXTWGEPZSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccncc1)C(C)(C)C ZINC000453299190 202730040 /nfs/dbraw/zinc/73/00/40/202730040.db2.gz UGWUSLCSVLKFNP-JSGCOSHPSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccncc1)C(C)(C)C ZINC000453299191 386368136 /nfs/dbraw/zinc/36/81/36/386368136.db2.gz UGWUSLCSVLKFNP-OCCSQVGLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ccncc1)C(C)(C)C ZINC000453299192 386369138 /nfs/dbraw/zinc/36/91/38/386369138.db2.gz UGWUSLCSVLKFNP-TZMCWYRMSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc(C)c1)C1CCCCC1 ZINC000453300009 388038766 /nfs/dbraw/zinc/03/87/66/388038766.db2.gz WQJUQZYARUTQSX-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc(C)c1)C1CCCCC1 ZINC000453300010 202731582 /nfs/dbraw/zinc/73/15/82/202731582.db2.gz WQJUQZYARUTQSX-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000453300282 388038599 /nfs/dbraw/zinc/03/85/99/388038599.db2.gz VZHFIKOEQQTSDP-JTQLQIEISA-N 1 0 235.396 3.830 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000453300283 388038505 /nfs/dbraw/zinc/03/85/05/388038505.db2.gz VZHFIKOEQQTSDP-SNVBAGLBSA-N 1 0 235.396 3.830 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c1C ZINC000453300758 388038153 /nfs/dbraw/zinc/03/81/53/388038153.db2.gz WPNYQBQXYIGDEG-DZGCQCFKSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1C ZINC000453300759 388038288 /nfs/dbraw/zinc/03/82/88/388038288.db2.gz WPNYQBQXYIGDEG-HIFRSBDPSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c1C ZINC000453300760 388038495 /nfs/dbraw/zinc/03/84/95/388038495.db2.gz WPNYQBQXYIGDEG-UKRRQHHQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c1C ZINC000453300761 202731853 /nfs/dbraw/zinc/73/18/53/202731853.db2.gz WPNYQBQXYIGDEG-ZFWWWQNUSA-N 1 0 247.382 3.522 20 0 BHADRO CCC1([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000453300817 386369872 /nfs/dbraw/zinc/36/98/72/386369872.db2.gz XASIACYDQBKICO-JTQLQIEISA-N 1 0 238.400 3.860 20 0 BHADRO CCC1([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000453301234 219887164 /nfs/dbraw/zinc/88/71/64/219887164.db2.gz XASIACYDQBKICO-SNVBAGLBSA-N 1 0 238.400 3.860 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000453301859 388039674 /nfs/dbraw/zinc/03/96/74/388039674.db2.gz ZJCRDLHODHPRDD-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000453301860 388039673 /nfs/dbraw/zinc/03/96/73/388039673.db2.gz ZJCRDLHODHPRDD-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000453301862 388039728 /nfs/dbraw/zinc/03/97/28/388039728.db2.gz ZJCRDLHODHPRDD-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000453301863 388039646 /nfs/dbraw/zinc/03/96/46/388039646.db2.gz ZJCRDLHODHPRDD-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453301888 388040164 /nfs/dbraw/zinc/04/01/64/388040164.db2.gz YDIIQVQKTNIOHG-AGIUHOORSA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453301891 386373221 /nfs/dbraw/zinc/37/32/21/386373221.db2.gz YDIIQVQKTNIOHG-AVGNSLFASA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453301904 386374166 /nfs/dbraw/zinc/37/41/66/386374166.db2.gz YDIIQVQKTNIOHG-UPJWGTAASA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453301910 386374295 /nfs/dbraw/zinc/37/42/95/386374295.db2.gz YDIIQVQKTNIOHG-XQQFMLRXSA-N 1 0 249.402 3.693 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000453302374 388039475 /nfs/dbraw/zinc/03/94/75/388039475.db2.gz YUVRFSKJLZBGJF-GFCCVEGCSA-N 1 0 240.350 3.828 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000453302375 388039483 /nfs/dbraw/zinc/03/94/83/388039483.db2.gz YUVRFSKJLZBGJF-LBPRGKRZSA-N 1 0 240.350 3.828 20 0 BHADRO CC/C=C\C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453303138 388039343 /nfs/dbraw/zinc/03/93/43/388039343.db2.gz AGIGRRXFHUJDLJ-NMNMAYGDSA-N 1 0 247.386 3.587 20 0 BHADRO CC/C=C/C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453303140 388039675 /nfs/dbraw/zinc/03/96/75/388039675.db2.gz AGIGRRXFHUJDLJ-RRFAQUSLSA-N 1 0 247.386 3.587 20 0 BHADRO CC/C=C/C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453303142 386376364 /nfs/dbraw/zinc/37/63/64/386376364.db2.gz AGIGRRXFHUJDLJ-UFZAZABTSA-N 1 0 247.386 3.587 20 0 BHADRO CC/C=C\C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453303144 386376942 /nfs/dbraw/zinc/37/69/42/386376942.db2.gz AGIGRRXFHUJDLJ-UMSKNGNOSA-N 1 0 247.386 3.587 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ncccc1C ZINC000453303623 388039554 /nfs/dbraw/zinc/03/95/54/388039554.db2.gz DUCIHFVUNRRCKK-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ncccc1C ZINC000453303624 388040003 /nfs/dbraw/zinc/04/00/03/388040003.db2.gz DUCIHFVUNRRCKK-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ncccc1C ZINC000453303625 388040052 /nfs/dbraw/zinc/04/00/52/388040052.db2.gz DUCIHFVUNRRCKK-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ncccc1C ZINC000453303626 388039754 /nfs/dbraw/zinc/03/97/54/388039754.db2.gz DUCIHFVUNRRCKK-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453303739 386379551 /nfs/dbraw/zinc/37/95/51/386379551.db2.gz ARRIEODKNUGSIS-JLVNDZCYSA-N 1 0 249.402 3.563 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453303742 386379691 /nfs/dbraw/zinc/37/96/91/386379691.db2.gz ARRIEODKNUGSIS-LAUAKBEESA-N 1 0 249.402 3.563 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453303891 388039788 /nfs/dbraw/zinc/03/97/88/388039788.db2.gz DOWAPESNDIQRAM-MQYQWHSLSA-N 1 0 227.367 3.541 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453303892 388040117 /nfs/dbraw/zinc/04/01/17/388040117.db2.gz DOWAPESNDIQRAM-RFGFWPKPSA-N 1 0 227.367 3.541 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453303893 388039878 /nfs/dbraw/zinc/03/98/78/388039878.db2.gz DOWAPESNDIQRAM-YIYPIFLZSA-N 1 0 227.367 3.541 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453303894 388039664 /nfs/dbraw/zinc/03/96/64/388039664.db2.gz DOWAPESNDIQRAM-ZOBORPQBSA-N 1 0 227.367 3.541 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)c1cccnc1 ZINC000453303923 388039557 /nfs/dbraw/zinc/03/95/57/388039557.db2.gz DUVRJIDPHUFGOP-SNPRPXQTSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)c1cccnc1 ZINC000453303924 388039928 /nfs/dbraw/zinc/03/99/28/388039928.db2.gz DUVRJIDPHUFGOP-VHDGCEQUSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453304151 388040139 /nfs/dbraw/zinc/04/01/39/388040139.db2.gz FAGKUILNGOBSOG-KCXAZCMYSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453304152 388039654 /nfs/dbraw/zinc/03/96/54/388039654.db2.gz FAGKUILNGOBSOG-UHOFOFEASA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccccn1 ZINC000453304156 386380088 /nfs/dbraw/zinc/38/00/88/386380088.db2.gz FCDXNDPUZDLZMK-HZSPNIEDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccccn1 ZINC000453304157 386388122 /nfs/dbraw/zinc/38/81/22/386388122.db2.gz FCDXNDPUZDLZMK-RDBSUJKOSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC(C)(C)C2CCC2)c1 ZINC000453304178 388039807 /nfs/dbraw/zinc/03/98/07/388039807.db2.gz FHKXUCUJUKVKTO-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC(C)(C)C2CCC2)c1 ZINC000453304179 388039874 /nfs/dbraw/zinc/03/98/74/388039874.db2.gz FHKXUCUJUKVKTO-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO CCC[C@H]([NH2+]CCc1ncccc1C)C(C)(C)C ZINC000453306839 388041404 /nfs/dbraw/zinc/04/14/04/388041404.db2.gz JLCOMTOGPJLPMT-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ncccc1C)C(C)(C)C ZINC000453306840 388041244 /nfs/dbraw/zinc/04/12/44/388041244.db2.gz JLCOMTOGPJLPMT-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1csc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453307206 388041406 /nfs/dbraw/zinc/04/14/06/388041406.db2.gz BICSXVPYVCQOAT-AWEZNQCLSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453307207 388041111 /nfs/dbraw/zinc/04/11/11/388041111.db2.gz BICSXVPYVCQOAT-CQSZACIVSA-N 1 0 235.396 3.725 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000453307397 388041412 /nfs/dbraw/zinc/04/14/12/388041412.db2.gz LCGJOTJCFHGWMB-IJEWVQPXSA-N 1 0 246.398 3.805 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000453307398 388041189 /nfs/dbraw/zinc/04/11/89/388041189.db2.gz LCGJOTJCFHGWMB-YCPHGPKFSA-N 1 0 246.398 3.805 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC(C)(C)C1CCC1 ZINC000453309261 388041380 /nfs/dbraw/zinc/04/13/80/388041380.db2.gz PGVCTYYVMYYDFJ-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC(C)(C)C1CCC1 ZINC000453309264 388041199 /nfs/dbraw/zinc/04/11/99/388041199.db2.gz PGVCTYYVMYYDFJ-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453309441 388041079 /nfs/dbraw/zinc/04/10/79/388041079.db2.gz FBWNWOFKQFZWGO-IRBQFCFKSA-N 1 0 247.386 3.615 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000453309442 388041200 /nfs/dbraw/zinc/04/12/00/388041200.db2.gz FBWNWOFKQFZWGO-LLPBQKLSSA-N 1 0 247.386 3.615 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453309443 388041041 /nfs/dbraw/zinc/04/10/41/388041041.db2.gz FBWNWOFKQFZWGO-LVDDQXARSA-N 1 0 247.386 3.615 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000453309444 388042208 /nfs/dbraw/zinc/04/22/08/388042208.db2.gz FBWNWOFKQFZWGO-WXJAXGNASA-N 1 0 247.386 3.615 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@H]2CCF)c1 ZINC000453309880 388041298 /nfs/dbraw/zinc/04/12/98/388041298.db2.gz DVSHZPPSGVBVGD-AAEUAGOBSA-N 1 0 241.375 3.674 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2CCF)c1 ZINC000453309881 388041227 /nfs/dbraw/zinc/04/12/27/388041227.db2.gz DVSHZPPSGVBVGD-DGCLKSJQSA-N 1 0 241.375 3.674 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H]2CCF)c1 ZINC000453309882 388041335 /nfs/dbraw/zinc/04/13/35/388041335.db2.gz DVSHZPPSGVBVGD-WCQYABFASA-N 1 0 241.375 3.674 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC[C@@H]2CCF)c1 ZINC000453309883 388041114 /nfs/dbraw/zinc/04/11/14/388041114.db2.gz DVSHZPPSGVBVGD-YPMHNXCESA-N 1 0 241.375 3.674 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311842 388042811 /nfs/dbraw/zinc/04/28/11/388042811.db2.gz GQHHECPOXTUATA-MOVJSRMASA-N 1 0 243.272 3.721 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311843 388042945 /nfs/dbraw/zinc/04/29/45/388042945.db2.gz GQHHECPOXTUATA-WBSSQXGSSA-N 1 0 243.272 3.721 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311844 388042372 /nfs/dbraw/zinc/04/23/72/388042372.db2.gz GQHHECPOXTUATA-XNPJLODASA-N 1 0 243.272 3.721 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311845 388042552 /nfs/dbraw/zinc/04/25/52/388042552.db2.gz GQHHECPOXTUATA-XRVBUDJMSA-N 1 0 243.272 3.721 20 0 BHADRO CC[C@H]([NH2+]CCCc1ncccc1C)C(C)(C)C ZINC000453312152 388042790 /nfs/dbraw/zinc/04/27/90/388042790.db2.gz USZGJZYRLAGECO-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ncccc1C)C(C)(C)C ZINC000453312153 388042784 /nfs/dbraw/zinc/04/27/84/388042784.db2.gz USZGJZYRLAGECO-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000453312710 388042958 /nfs/dbraw/zinc/04/29/58/388042958.db2.gz VUHKTIZJUDRSRQ-IPYPFGDCSA-N 1 0 245.366 3.536 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000453312711 388042578 /nfs/dbraw/zinc/04/25/78/388042578.db2.gz VUHKTIZJUDRSRQ-VNHYZAJKSA-N 1 0 245.366 3.536 20 0 BHADRO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000453312775 388042624 /nfs/dbraw/zinc/04/26/24/388042624.db2.gz CBEANABJXDYODN-QJPTWQEYSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000453312776 388042544 /nfs/dbraw/zinc/04/25/44/388042544.db2.gz CBEANABJXDYODN-SDDRHHMPSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000453312777 388042462 /nfs/dbraw/zinc/04/24/62/388042462.db2.gz CBEANABJXDYODN-SRVKXCTJSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000453312778 388041838 /nfs/dbraw/zinc/04/18/38/388041838.db2.gz CBEANABJXDYODN-TUAOUCFPSA-N 1 0 249.320 3.540 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccncc1 ZINC000453313246 388042637 /nfs/dbraw/zinc/04/26/37/388042637.db2.gz VVEXWJFBJBNVLY-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccncc1 ZINC000453313247 388042403 /nfs/dbraw/zinc/04/24/03/388042403.db2.gz VVEXWJFBJBNVLY-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453315387 388043475 /nfs/dbraw/zinc/04/34/75/388043475.db2.gz ZGEPEFVQQJCPFD-RTXFEEFZSA-N 1 0 221.344 3.593 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453315395 388043838 /nfs/dbraw/zinc/04/38/38/388043838.db2.gz ZGEPEFVQQJCPFD-UHTWSYAYSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2cncc(C)c2)c1 ZINC000453316065 386400049 /nfs/dbraw/zinc/40/00/49/386400049.db2.gz JRCCBYCUNJWYLK-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2cncc(C)c2)c1 ZINC000453316085 386398887 /nfs/dbraw/zinc/39/88/87/386398887.db2.gz JRCCBYCUNJWYLK-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000453316193 388043651 /nfs/dbraw/zinc/04/36/51/388043651.db2.gz JMXDSKSDOLXYJS-IRBQFCFKSA-N 1 0 240.350 3.852 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000453316194 388043232 /nfs/dbraw/zinc/04/32/32/388043232.db2.gz JMXDSKSDOLXYJS-LLPBQKLSSA-N 1 0 240.350 3.852 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000453316649 388043637 /nfs/dbraw/zinc/04/36/37/388043637.db2.gz KVPWKFRSLSQURI-CYBMUJFWSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000453316650 388043686 /nfs/dbraw/zinc/04/36/86/388043686.db2.gz KVPWKFRSLSQURI-ZDUSSCGKSA-N 1 0 235.396 3.869 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cs1)c1ccncc1 ZINC000453317956 388045125 /nfs/dbraw/zinc/04/51/25/388045125.db2.gz LQPDBSWHDAWORX-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cs1)c1ccncc1 ZINC000453317957 388044984 /nfs/dbraw/zinc/04/49/84/388044984.db2.gz LQPDBSWHDAWORX-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO CC/C=C/C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000453318219 388045554 /nfs/dbraw/zinc/04/55/54/388045554.db2.gz LCZFNYXOLPYYJS-KEDPEKRHSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000453318220 388045247 /nfs/dbraw/zinc/04/52/47/388045247.db2.gz LCZFNYXOLPYYJS-PKYBCLHXSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C/C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000453318221 388045314 /nfs/dbraw/zinc/04/53/14/388045314.db2.gz LCZFNYXOLPYYJS-ZKKXHLJNSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C\C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000453318222 388045337 /nfs/dbraw/zinc/04/53/37/388045337.db2.gz LCZFNYXOLPYYJS-ZQMJAJRESA-N 1 0 232.371 3.725 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(C)cc1 ZINC000453318317 388045592 /nfs/dbraw/zinc/04/55/92/388045592.db2.gz AYOCOAQTHPPGCJ-BZUAXINKSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)c2cnccc2C)c1 ZINC000453319684 388045639 /nfs/dbraw/zinc/04/56/39/388045639.db2.gz NYFUCTJMPAYOSF-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000453319685 388045240 /nfs/dbraw/zinc/04/52/40/388045240.db2.gz NYFUCTJMPAYOSF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000453320553 388045039 /nfs/dbraw/zinc/04/50/39/388045039.db2.gz OWYLWKZVGIQERW-JTQLQIEISA-N 1 0 211.374 3.581 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000453320564 388044902 /nfs/dbraw/zinc/04/49/02/388044902.db2.gz OWYLWKZVGIQERW-SNVBAGLBSA-N 1 0 211.374 3.581 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000453321787 388046759 /nfs/dbraw/zinc/04/67/59/388046759.db2.gz RGGAQFZHCZCJJQ-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000453321788 388046401 /nfs/dbraw/zinc/04/64/01/388046401.db2.gz RGGAQFZHCZCJJQ-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000453321789 388046755 /nfs/dbraw/zinc/04/67/55/388046755.db2.gz RGGAQFZHCZCJJQ-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000453321790 388046830 /nfs/dbraw/zinc/04/68/30/388046830.db2.gz RGGAQFZHCZCJJQ-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cccc(C)c1 ZINC000453322316 388046731 /nfs/dbraw/zinc/04/67/31/388046731.db2.gz IMMCJCSHBPGJBL-BZUAXINKSA-N 1 0 247.382 3.603 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000453323251 388046065 /nfs/dbraw/zinc/04/60/65/388046065.db2.gz JESOARHBAJRRRQ-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000453323254 388046925 /nfs/dbraw/zinc/04/69/25/388046925.db2.gz JESOARHBAJRRRQ-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453323817 388047001 /nfs/dbraw/zinc/04/70/01/388047001.db2.gz PZDFHKUSBYJNAG-JMEBYUIHSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453323818 388046889 /nfs/dbraw/zinc/04/68/89/388046889.db2.gz PZDFHKUSBYJNAG-MLRMMBSGSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453323819 388046158 /nfs/dbraw/zinc/04/61/58/388046158.db2.gz PZDFHKUSBYJNAG-XUIVZRPNSA-N 1 0 207.317 3.513 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453323820 388046198 /nfs/dbraw/zinc/04/61/98/388046198.db2.gz PZDFHKUSBYJNAG-ZADCQDASSA-N 1 0 207.317 3.513 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC000453328493 388047842 /nfs/dbraw/zinc/04/78/42/388047842.db2.gz PVIGKRJNAYQLRS-BZUAXINKSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cnccc1C ZINC000453330798 388049616 /nfs/dbraw/zinc/04/96/16/388049616.db2.gz SSEXPDOLFILFPB-DZGCQCFKSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cnccc1C ZINC000453330799 388049219 /nfs/dbraw/zinc/04/92/19/388049219.db2.gz SSEXPDOLFILFPB-HIFRSBDPSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cnccc1C ZINC000453330800 388048893 /nfs/dbraw/zinc/04/88/93/388048893.db2.gz SSEXPDOLFILFPB-UKRRQHHQSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cnccc1C ZINC000453330801 202740142 /nfs/dbraw/zinc/74/01/42/202740142.db2.gz SSEXPDOLFILFPB-ZFWWWQNUSA-N 1 0 234.387 3.694 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000453331143 388049827 /nfs/dbraw/zinc/04/98/27/388049827.db2.gz VQJHROMCIKPBPK-IRBQFCFKSA-N 1 0 240.350 3.852 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000453331146 388049388 /nfs/dbraw/zinc/04/93/88/388049388.db2.gz VQJHROMCIKPBPK-LLPBQKLSSA-N 1 0 240.350 3.852 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000453331149 202740409 /nfs/dbraw/zinc/74/04/09/202740409.db2.gz VQJHROMCIKPBPK-LVDDQXARSA-N 1 0 240.350 3.852 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000453331151 388049376 /nfs/dbraw/zinc/04/93/76/388049376.db2.gz VQJHROMCIKPBPK-WXJAXGNASA-N 1 0 240.350 3.852 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nccn1CC ZINC000453332554 388048955 /nfs/dbraw/zinc/04/89/55/388048955.db2.gz AZQKNBPAIUQYCC-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1nccn1CC ZINC000453332555 388049910 /nfs/dbraw/zinc/04/99/10/388049910.db2.gz AZQKNBPAIUQYCC-MCIONIFRSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nccn1CC ZINC000453332556 388049674 /nfs/dbraw/zinc/04/96/74/388049674.db2.gz AZQKNBPAIUQYCC-MGPQQGTHSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nccn1CC ZINC000453332557 388048932 /nfs/dbraw/zinc/04/89/32/388048932.db2.gz AZQKNBPAIUQYCC-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccc(F)c(CC[NH2+][C@H](C)c2ccco2)c1 ZINC000453333696 388048721 /nfs/dbraw/zinc/04/87/21/388048721.db2.gz BUAGUMMRFOVHST-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(F)c(CC[NH2+][C@@H](C)c2ccco2)c1 ZINC000453333698 388049506 /nfs/dbraw/zinc/04/95/06/388049506.db2.gz BUAGUMMRFOVHST-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453334220 388051287 /nfs/dbraw/zinc/05/12/87/388051287.db2.gz CHDNRDNQOOSXIN-GFCCVEGCSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453334221 388050895 /nfs/dbraw/zinc/05/08/95/388050895.db2.gz CHDNRDNQOOSXIN-LBPRGKRZSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453334736 388050849 /nfs/dbraw/zinc/05/08/49/388050849.db2.gz CTCLSRZFUIUTHA-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453334739 202741323 /nfs/dbraw/zinc/74/13/23/202741323.db2.gz CTCLSRZFUIUTHA-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000453336481 202741204 /nfs/dbraw/zinc/74/12/04/202741204.db2.gz YHIKMSRHFUBOAV-DMEOUFDRSA-N 1 0 238.400 3.631 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1sc(CC)nc1C ZINC000453336482 388051124 /nfs/dbraw/zinc/05/11/24/388051124.db2.gz YHIKMSRHFUBOAV-GQYWMQPJSA-N 1 0 238.400 3.631 20 0 BHADRO CC[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000453336705 386445505 /nfs/dbraw/zinc/44/55/05/386445505.db2.gz FKGLIDOFRVOQOM-HNNXBMFYSA-N 1 0 247.357 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000453336706 205802259 /nfs/dbraw/zinc/80/22/59/205802259.db2.gz FKGLIDOFRVOQOM-OAHLLOKOSA-N 1 0 247.357 3.679 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000453339450 488189345 /nfs/dbraw/zinc/18/93/45/488189345.db2.gz BMURIXQZXYIBDJ-BFHYXJOUSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000453339454 488189453 /nfs/dbraw/zinc/18/94/53/488189453.db2.gz BMURIXQZXYIBDJ-MCIONIFRSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000453339457 488189108 /nfs/dbraw/zinc/18/91/08/488189108.db2.gz BMURIXQZXYIBDJ-MGPQQGTHSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000453339459 488189300 /nfs/dbraw/zinc/18/93/00/488189300.db2.gz BMURIXQZXYIBDJ-MJBXVCDLSA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1cccnc1 ZINC000453339819 202741188 /nfs/dbraw/zinc/74/11/88/202741188.db2.gz GYNAGTPUCBCZAW-HRCADAONSA-N 1 0 246.398 3.805 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1cccnc1 ZINC000453339820 388052220 /nfs/dbraw/zinc/05/22/20/388052220.db2.gz GYNAGTPUCBCZAW-JYJNAYRXSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000453341756 202745444 /nfs/dbraw/zinc/74/54/44/202745444.db2.gz IGMZEVSBWBFZKM-SRVKXCTJSA-N 1 0 223.385 3.691 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccs1 ZINC000453341757 388052688 /nfs/dbraw/zinc/05/26/88/388052688.db2.gz IGMZEVSBWBFZKM-WOPDTQHZSA-N 1 0 223.385 3.691 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1cccnc1 ZINC000453341982 202745373 /nfs/dbraw/zinc/74/53/73/202745373.db2.gz HWENPUWPRXGEHU-HRCADAONSA-N 1 0 246.398 3.660 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1cccnc1 ZINC000453341983 386456268 /nfs/dbraw/zinc/45/62/68/386456268.db2.gz HWENPUWPRXGEHU-JYJNAYRXSA-N 1 0 246.398 3.660 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345274 388053805 /nfs/dbraw/zinc/05/38/05/388053805.db2.gz FFDLYKJBVLSUTJ-AAEUAGOBSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345279 388053681 /nfs/dbraw/zinc/05/36/81/388053681.db2.gz FFDLYKJBVLSUTJ-DGCLKSJQSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345283 388053389 /nfs/dbraw/zinc/05/33/89/388053389.db2.gz FFDLYKJBVLSUTJ-WCQYABFASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345288 388053159 /nfs/dbraw/zinc/05/31/59/388053159.db2.gz FFDLYKJBVLSUTJ-YPMHNXCESA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1C)[C@@H](O)CC ZINC000453346025 202743342 /nfs/dbraw/zinc/74/33/42/202743342.db2.gz FDOHNCUWLSDRMG-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000453346027 202744299 /nfs/dbraw/zinc/74/42/99/202744299.db2.gz FDOHNCUWLSDRMG-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1C)[C@@H](O)CC ZINC000453346030 388053916 /nfs/dbraw/zinc/05/39/16/388053916.db2.gz FDOHNCUWLSDRMG-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cccc(C)c1C ZINC000453346032 388053497 /nfs/dbraw/zinc/05/34/97/388053497.db2.gz FDOHNCUWLSDRMG-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C)cc1C)C(C)(C)C ZINC000453346822 388053630 /nfs/dbraw/zinc/05/36/30/388053630.db2.gz GFPBWVPROFDHJU-AWEZNQCLSA-N 1 0 234.387 3.613 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C)cc1C)C(C)(C)C ZINC000453346824 388053634 /nfs/dbraw/zinc/05/36/34/388053634.db2.gz GFPBWVPROFDHJU-CQSZACIVSA-N 1 0 234.387 3.613 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1 ZINC000453347398 202745450 /nfs/dbraw/zinc/74/54/50/202745450.db2.gz CBDAKSLDKJBYIH-DGFSRKRXSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1 ZINC000453347400 388053083 /nfs/dbraw/zinc/05/30/83/388053083.db2.gz CBDAKSLDKJBYIH-XEGUGMAKSA-N 1 0 233.330 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(CC)o1)C(C)(C)C ZINC000453349242 388051077 /nfs/dbraw/zinc/05/10/77/388051077.db2.gz BDOCZWGRRXTART-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(CC)o1)C(C)(C)C ZINC000453349244 388050107 /nfs/dbraw/zinc/05/01/07/388050107.db2.gz BDOCZWGRRXTART-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1nccn1CC)C1CCC1 ZINC000453349611 388055263 /nfs/dbraw/zinc/05/52/63/388055263.db2.gz LPYIEZMZLVXOQC-GXTWGEPZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1nccn1CC)C1CCC1 ZINC000453349612 388055038 /nfs/dbraw/zinc/05/50/38/388055038.db2.gz LPYIEZMZLVXOQC-JSGCOSHPSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1nccn1CC)C1CCC1 ZINC000453349613 388054717 /nfs/dbraw/zinc/05/47/17/388054717.db2.gz LPYIEZMZLVXOQC-OCCSQVGLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1nccn1CC)C1CCC1 ZINC000453349614 388055909 /nfs/dbraw/zinc/05/59/09/388055909.db2.gz LPYIEZMZLVXOQC-TZMCWYRMSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453351027 388054782 /nfs/dbraw/zinc/05/47/82/388054782.db2.gz KMAWEATVSXGWMT-BXUZGUMPSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453351029 388054598 /nfs/dbraw/zinc/05/45/98/388054598.db2.gz KMAWEATVSXGWMT-FZMZJTMJSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453351032 388054832 /nfs/dbraw/zinc/05/48/32/388054832.db2.gz KMAWEATVSXGWMT-RISCZKNCSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453351035 388055606 /nfs/dbraw/zinc/05/56/06/388055606.db2.gz KMAWEATVSXGWMT-SMDDNHRTSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC23CCCC3)cn1 ZINC000453352271 202746745 /nfs/dbraw/zinc/74/67/45/202746745.db2.gz ISYCWIHPRUKVAZ-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC23CCCC3)cn1 ZINC000453352275 202747519 /nfs/dbraw/zinc/74/75/19/202747519.db2.gz ISYCWIHPRUKVAZ-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453356215 202748983 /nfs/dbraw/zinc/74/89/83/202748983.db2.gz PBTRRJYZTWLKOR-GFCCVEGCSA-N 1 0 235.346 3.679 20 0 BHADRO CCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453356216 388056826 /nfs/dbraw/zinc/05/68/26/388056826.db2.gz PBTRRJYZTWLKOR-LBPRGKRZSA-N 1 0 235.346 3.679 20 0 BHADRO C1C[C@@]2(CS1)CCC[N@@H+](C1CCCCC1)C2 ZINC000453357823 388057960 /nfs/dbraw/zinc/05/79/60/388057960.db2.gz LPKHKVGVJJAHFD-AWEZNQCLSA-N 1 0 239.428 3.538 20 0 BHADRO C1C[C@]2(CS1)CCC[N@@H+](C1CCCCC1)C2 ZINC000453357825 388058174 /nfs/dbraw/zinc/05/81/74/388058174.db2.gz LPKHKVGVJJAHFD-CQSZACIVSA-N 1 0 239.428 3.538 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453363006 388059294 /nfs/dbraw/zinc/05/92/94/388059294.db2.gz QGGOXAHVAIWQFP-BXUZGUMPSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453363009 388059805 /nfs/dbraw/zinc/05/98/05/388059805.db2.gz QGGOXAHVAIWQFP-FZMZJTMJSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453363013 388060115 /nfs/dbraw/zinc/06/01/15/388060115.db2.gz QGGOXAHVAIWQFP-RISCZKNCSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000453363017 388060206 /nfs/dbraw/zinc/06/02/06/388060206.db2.gz QGGOXAHVAIWQFP-SMDDNHRTSA-N 1 0 248.370 3.610 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000453364315 388060328 /nfs/dbraw/zinc/06/03/28/388060328.db2.gz MZNROBVKLBOSNP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000453364316 388059199 /nfs/dbraw/zinc/05/91/99/388059199.db2.gz MZNROBVKLBOSNP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000453364317 202751982 /nfs/dbraw/zinc/75/19/82/202751982.db2.gz MZNROBVKLBOSNP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000453364318 388060025 /nfs/dbraw/zinc/06/00/25/388060025.db2.gz MZNROBVKLBOSNP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCC1 ZINC000453366539 388061844 /nfs/dbraw/zinc/06/18/44/388061844.db2.gz SAKDUMWGFZCKLW-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C1CCC1 ZINC000453366540 388061367 /nfs/dbraw/zinc/06/13/67/388061367.db2.gz SAKDUMWGFZCKLW-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c(C)o1 ZINC000453366737 386483636 /nfs/dbraw/zinc/48/36/36/386483636.db2.gz OBPOPZJDEGYYHB-DGFSRKRXSA-N 1 0 233.355 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c(C)o1 ZINC000453366738 386482244 /nfs/dbraw/zinc/48/22/44/386482244.db2.gz OBPOPZJDEGYYHB-XEGUGMAKSA-N 1 0 233.355 3.593 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000453368076 388061193 /nfs/dbraw/zinc/06/11/93/388061193.db2.gz SORGKXQFWGTEIX-CHWSQXEVSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000453368079 386485396 /nfs/dbraw/zinc/48/53/96/386485396.db2.gz SORGKXQFWGTEIX-OLZOCXBDSA-N 1 0 246.398 3.873 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000453368199 388061135 /nfs/dbraw/zinc/06/11/35/388061135.db2.gz QECWHZFSUCHDBL-CABCVRRESA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000453368200 388061129 /nfs/dbraw/zinc/06/11/29/388061129.db2.gz QECWHZFSUCHDBL-GJZGRUSLSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000453368201 388061429 /nfs/dbraw/zinc/06/14/29/388061429.db2.gz QECWHZFSUCHDBL-HUUCEWRRSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000453368202 205802724 /nfs/dbraw/zinc/80/27/24/205802724.db2.gz QECWHZFSUCHDBL-LSDHHAIUSA-N 1 0 246.398 3.613 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@H]1CCOC1)C(C)(C)C ZINC000453368836 388061255 /nfs/dbraw/zinc/06/12/55/388061255.db2.gz NAZKZKIIBKXMNS-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@@H]1CCOC1)C(C)(C)C ZINC000453368842 202751434 /nfs/dbraw/zinc/75/14/34/202751434.db2.gz NAZKZKIIBKXMNS-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@H]1CCOC1)C(C)(C)C ZINC000453368845 388061448 /nfs/dbraw/zinc/06/14/48/388061448.db2.gz NAZKZKIIBKXMNS-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1)C(C)(C)C ZINC000453368847 388061902 /nfs/dbraw/zinc/06/19/02/388061902.db2.gz NAZKZKIIBKXMNS-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccnc1 ZINC000453370133 388062820 /nfs/dbraw/zinc/06/28/20/388062820.db2.gz FOSCAJDHRXGDCP-HRCADAONSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccnc1 ZINC000453370134 388062761 /nfs/dbraw/zinc/06/27/61/388062761.db2.gz FOSCAJDHRXGDCP-JYJNAYRXSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000453370653 388062764 /nfs/dbraw/zinc/06/27/64/388062764.db2.gz VPWYRNCROKVFSG-CRWXNKLISA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000453370654 388063052 /nfs/dbraw/zinc/06/30/52/388063052.db2.gz VPWYRNCROKVFSG-RFQIPJPRSA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000453370655 388062827 /nfs/dbraw/zinc/06/28/27/388062827.db2.gz VPWYRNCROKVFSG-XDQVBPFNSA-N 1 0 249.402 3.693 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000453370656 388062814 /nfs/dbraw/zinc/06/28/14/388062814.db2.gz VPWYRNCROKVFSG-XUXIUFHCSA-N 1 0 249.402 3.693 20 0 BHADRO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453371085 202752895 /nfs/dbraw/zinc/75/28/95/202752895.db2.gz QSRGIHQKQTYHKY-FPMFFAJLSA-N 1 0 247.407 3.761 20 0 BHADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453371087 388062293 /nfs/dbraw/zinc/06/22/93/388062293.db2.gz QSRGIHQKQTYHKY-UBHSHLNASA-N 1 0 247.407 3.761 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000453372388 202753394 /nfs/dbraw/zinc/75/33/94/202753394.db2.gz RSFNXYGCOLLVPJ-KKUMJFAQSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000453372390 388062654 /nfs/dbraw/zinc/06/26/54/388062654.db2.gz RSFNXYGCOLLVPJ-SOUVJXGZSA-N 1 0 244.382 3.559 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000453374671 388062895 /nfs/dbraw/zinc/06/28/95/388062895.db2.gz SOYKLEBBZLHFDP-JKOKRWQUSA-N 1 0 233.355 3.539 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000453374672 202753872 /nfs/dbraw/zinc/75/38/72/202753872.db2.gz SOYKLEBBZLHFDP-OSMZGAPFSA-N 1 0 233.355 3.539 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000453375558 388064923 /nfs/dbraw/zinc/06/49/23/388064923.db2.gz XXMIOGHXDXZBMH-QEJZJMRPSA-N 1 0 246.398 3.587 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000453375560 202754315 /nfs/dbraw/zinc/75/43/15/202754315.db2.gz XXMIOGHXDXZBMH-SNPRPXQTSA-N 1 0 246.398 3.587 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000453375848 388057254 /nfs/dbraw/zinc/05/72/54/388057254.db2.gz XMJGWKJILGNGFN-DRZSPHRISA-N 1 0 223.385 3.691 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000453375851 388057156 /nfs/dbraw/zinc/05/71/56/388057156.db2.gz XMJGWKJILGNGFN-WXHSDQCUSA-N 1 0 223.385 3.691 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)o1 ZINC000453376015 386493885 /nfs/dbraw/zinc/49/38/85/386493885.db2.gz XQBSIYFBYXREBO-AGIUHOORSA-N 1 0 221.344 3.531 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)o1 ZINC000453376043 219888084 /nfs/dbraw/zinc/88/80/84/219888084.db2.gz XQBSIYFBYXREBO-AVGNSLFASA-N 1 0 221.344 3.531 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1ccccn1 ZINC000453376639 388063653 /nfs/dbraw/zinc/06/36/53/388063653.db2.gz YNLCIRYQZIMJIP-KKUMJFAQSA-N 1 0 246.398 3.805 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)c1ccccn1 ZINC000453376641 202753299 /nfs/dbraw/zinc/75/32/99/202753299.db2.gz YNLCIRYQZIMJIP-SOUVJXGZSA-N 1 0 246.398 3.805 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000453377323 388063940 /nfs/dbraw/zinc/06/39/40/388063940.db2.gz KBZSOPCEYIPGOU-AAEUAGOBSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000453377324 388064307 /nfs/dbraw/zinc/06/43/07/388064307.db2.gz KBZSOPCEYIPGOU-DGCLKSJQSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000453377325 388064651 /nfs/dbraw/zinc/06/46/51/388064651.db2.gz KBZSOPCEYIPGOU-WCQYABFASA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000453377326 388064249 /nfs/dbraw/zinc/06/42/49/388064249.db2.gz KBZSOPCEYIPGOU-YPMHNXCESA-N 1 0 238.375 3.541 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1cccnc1 ZINC000453380382 202754941 /nfs/dbraw/zinc/75/49/41/202754941.db2.gz ATKSOBXDVUVKHB-CYBMUJFWSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1cccnc1 ZINC000453380387 202755454 /nfs/dbraw/zinc/75/54/54/202755454.db2.gz ATKSOBXDVUVKHB-ZDUSSCGKSA-N 1 0 244.382 3.703 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382095 388065974 /nfs/dbraw/zinc/06/59/74/388065974.db2.gz LJNCQFOLHPWVLL-AJNGGQMLSA-N 1 0 239.378 3.541 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382097 202754791 /nfs/dbraw/zinc/75/47/91/202754791.db2.gz LJNCQFOLHPWVLL-CBBWQLFWSA-N 1 0 239.378 3.541 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382098 388066044 /nfs/dbraw/zinc/06/60/44/388066044.db2.gz LJNCQFOLHPWVLL-QPSCCSFWSA-N 1 0 239.378 3.541 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453382100 388065568 /nfs/dbraw/zinc/06/55/68/388065568.db2.gz LJNCQFOLHPWVLL-ZQDZILKHSA-N 1 0 239.378 3.541 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000453382805 386510770 /nfs/dbraw/zinc/51/07/70/386510770.db2.gz ZPMLCSDIMMFJOC-DGFSRKRXSA-N 1 0 233.330 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC000453382809 533888682 /nfs/dbraw/zinc/88/86/82/533888682.db2.gz ZPMLCSDIMMFJOC-XEGUGMAKSA-N 1 0 233.330 3.522 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC[C@H]1CCOC1 ZINC000453384016 388058724 /nfs/dbraw/zinc/05/87/24/388058724.db2.gz SZPAPLKRHXFOOF-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000453384017 388057936 /nfs/dbraw/zinc/05/79/36/388057936.db2.gz SZPAPLKRHXFOOF-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC[C@H]1CCOC1 ZINC000453384018 388058248 /nfs/dbraw/zinc/05/82/48/388058248.db2.gz SZPAPLKRHXFOOF-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000453384019 388057700 /nfs/dbraw/zinc/05/77/00/388057700.db2.gz SZPAPLKRHXFOOF-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1ccncc1 ZINC000453384065 202755818 /nfs/dbraw/zinc/75/58/18/202755818.db2.gz CJOMNAKZWMWPJZ-CYBMUJFWSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1ccncc1 ZINC000453384066 388066343 /nfs/dbraw/zinc/06/63/43/388066343.db2.gz CJOMNAKZWMWPJZ-ZDUSSCGKSA-N 1 0 244.382 3.703 20 0 BHADRO CCCc1ncc(C[NH2+][C@H](CC)C(C)(C)C)o1 ZINC000453384806 388067720 /nfs/dbraw/zinc/06/77/20/388067720.db2.gz NDZYZMQJCMTVQN-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+][C@@H](CC)C(C)(C)C)o1 ZINC000453384807 388066864 /nfs/dbraw/zinc/06/68/64/388066864.db2.gz NDZYZMQJCMTVQN-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cs1 ZINC000453385286 388067204 /nfs/dbraw/zinc/06/72/04/388067204.db2.gz OGUKVHNCIRCUAV-JKOKRWQUSA-N 1 0 235.396 3.753 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cs1 ZINC000453385288 202755919 /nfs/dbraw/zinc/75/59/19/202755919.db2.gz OGUKVHNCIRCUAV-OSMZGAPFSA-N 1 0 235.396 3.753 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)oc1C ZINC000453385978 388067582 /nfs/dbraw/zinc/06/75/82/388067582.db2.gz OOENXTFAHFRTPD-BPNCWPANSA-N 1 0 233.355 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)oc1C ZINC000453385979 388067941 /nfs/dbraw/zinc/06/79/41/388067941.db2.gz OOENXTFAHFRTPD-SWHYSGLUSA-N 1 0 233.355 3.593 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C2=CCCC2)no1 ZINC000453388281 388066877 /nfs/dbraw/zinc/06/68/77/388066877.db2.gz FUXGQXSYFGHBPL-GFCCVEGCSA-N 1 0 248.370 3.770 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C2=CCCC2)no1 ZINC000453388283 202757424 /nfs/dbraw/zinc/75/74/24/202757424.db2.gz FUXGQXSYFGHBPL-LBPRGKRZSA-N 1 0 248.370 3.770 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453392177 388069825 /nfs/dbraw/zinc/06/98/25/388069825.db2.gz HQGLZUXCEYVJNJ-CYBMUJFWSA-N 1 0 247.382 3.937 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453392178 388068789 /nfs/dbraw/zinc/06/87/89/388068789.db2.gz HQGLZUXCEYVJNJ-ZDUSSCGKSA-N 1 0 247.382 3.937 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccsc1 ZINC000453397030 388070994 /nfs/dbraw/zinc/07/09/94/388070994.db2.gz YWGFCWIJUWQZLY-IHRRRGAJSA-N 1 0 235.396 3.835 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccsc1 ZINC000453397033 202759734 /nfs/dbraw/zinc/75/97/34/202759734.db2.gz YWGFCWIJUWQZLY-MELADBBJSA-N 1 0 235.396 3.835 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453400164 388072597 /nfs/dbraw/zinc/07/25/97/388072597.db2.gz AWYWKQFWCQUHFH-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453400165 388072578 /nfs/dbraw/zinc/07/25/78/388072578.db2.gz AWYWKQFWCQUHFH-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453400914 388072749 /nfs/dbraw/zinc/07/27/49/388072749.db2.gz BMIZNIDTGNMMPB-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453400915 388072645 /nfs/dbraw/zinc/07/26/45/388072645.db2.gz BMIZNIDTGNMMPB-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453400916 388072105 /nfs/dbraw/zinc/07/21/05/388072105.db2.gz BMIZNIDTGNMMPB-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453400917 388072300 /nfs/dbraw/zinc/07/23/00/388072300.db2.gz BMIZNIDTGNMMPB-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO FCC[C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453401407 388073478 /nfs/dbraw/zinc/07/34/78/388073478.db2.gz BVXGGBJOLOWRAB-NEPJUHHUSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453401408 388073917 /nfs/dbraw/zinc/07/39/17/388073917.db2.gz BVXGGBJOLOWRAB-NWDGAFQWSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453401410 200792336 /nfs/dbraw/zinc/79/23/36/200792336.db2.gz BVXGGBJOLOWRAB-RYUDHWBXSA-N 1 0 249.320 3.540 20 0 BHADRO FCC[C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453401412 386576802 /nfs/dbraw/zinc/57/68/02/386576802.db2.gz BVXGGBJOLOWRAB-VXGBXAGGSA-N 1 0 249.320 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1ccco1 ZINC000453402109 388073422 /nfs/dbraw/zinc/07/34/22/388073422.db2.gz PPNXMKREMDXWIL-GFCCVEGCSA-N 1 0 233.355 3.901 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1ccco1 ZINC000453402110 388073020 /nfs/dbraw/zinc/07/30/20/388073020.db2.gz PPNXMKREMDXWIL-LBPRGKRZSA-N 1 0 233.355 3.901 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453402717 388073224 /nfs/dbraw/zinc/07/32/24/388073224.db2.gz CRSXQARYNZZKLG-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453402719 388074120 /nfs/dbraw/zinc/07/41/20/388074120.db2.gz CRSXQARYNZZKLG-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453402720 388074108 /nfs/dbraw/zinc/07/41/08/388074108.db2.gz CRSXQARYNZZKLG-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453402721 388073880 /nfs/dbraw/zinc/07/38/80/388073880.db2.gz CRSXQARYNZZKLG-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CCC1CC(F)(F)C1)C1CCCC1 ZINC000453403874 388073714 /nfs/dbraw/zinc/07/37/14/388073714.db2.gz DFJIYXHUZUUAGF-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CCCC1 ZINC000453403877 202761280 /nfs/dbraw/zinc/76/12/80/202761280.db2.gz DFJIYXHUZUUAGF-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453404451 202765532 /nfs/dbraw/zinc/76/55/32/202765532.db2.gz BGZZOVOXEGQKBC-BLLLJJGKSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453404452 386588811 /nfs/dbraw/zinc/58/88/11/386588811.db2.gz BGZZOVOXEGQKBC-LRDDRELGSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453404453 200792327 /nfs/dbraw/zinc/79/23/27/200792327.db2.gz BGZZOVOXEGQKBC-MLGOLLRUSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453404454 386588889 /nfs/dbraw/zinc/58/88/89/386588889.db2.gz BGZZOVOXEGQKBC-WBMJQRKESA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C3CCC3)CCC2)no1 ZINC000453405522 386590882 /nfs/dbraw/zinc/59/08/82/386590882.db2.gz SSFRTWOUIQULNW-GFCCVEGCSA-N 1 0 248.370 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C3CCC3)CCC2)no1 ZINC000453405523 386590569 /nfs/dbraw/zinc/59/05/69/386590569.db2.gz SSFRTWOUIQULNW-LBPRGKRZSA-N 1 0 248.370 3.604 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453405765 386590740 /nfs/dbraw/zinc/59/07/40/386590740.db2.gz FIXYZRNYIIBYAC-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453405766 386590954 /nfs/dbraw/zinc/59/09/54/386590954.db2.gz FIXYZRNYIIBYAC-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453405767 200792246 /nfs/dbraw/zinc/79/22/46/200792246.db2.gz FIXYZRNYIIBYAC-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453405768 386590986 /nfs/dbraw/zinc/59/09/86/386590986.db2.gz FIXYZRNYIIBYAC-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000453406334 388075265 /nfs/dbraw/zinc/07/52/65/388075265.db2.gz FQWKBPLMBTVXGX-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000453406335 388075103 /nfs/dbraw/zinc/07/51/03/388075103.db2.gz FQWKBPLMBTVXGX-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453406875 388075798 /nfs/dbraw/zinc/07/57/98/388075798.db2.gz GACMFLKECZFMSS-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453406876 388075924 /nfs/dbraw/zinc/07/59/24/388075924.db2.gz GACMFLKECZFMSS-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453406877 388075816 /nfs/dbraw/zinc/07/58/16/388075816.db2.gz GACMFLKECZFMSS-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453406878 388075339 /nfs/dbraw/zinc/07/53/39/388075339.db2.gz GACMFLKECZFMSS-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453406997 388075486 /nfs/dbraw/zinc/07/54/86/388075486.db2.gz GESYPSGXQRIXFI-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453406998 388075884 /nfs/dbraw/zinc/07/58/84/388075884.db2.gz GESYPSGXQRIXFI-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCC1CC(F)(F)C1 ZINC000453407055 388075860 /nfs/dbraw/zinc/07/58/60/388075860.db2.gz GHLNBEYGCGMCEQ-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCC1CC(F)(F)C1 ZINC000453407057 388076211 /nfs/dbraw/zinc/07/62/11/388076211.db2.gz GHLNBEYGCGMCEQ-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453407058 388076282 /nfs/dbraw/zinc/07/62/82/388076282.db2.gz GHXGSWRDSPCZHN-GFCCVEGCSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453407060 202763932 /nfs/dbraw/zinc/76/39/32/202763932.db2.gz GHXGSWRDSPCZHN-LBPRGKRZSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@]1(CC)C(C)C)c1ccncc1 ZINC000453407917 388075974 /nfs/dbraw/zinc/07/59/74/388075974.db2.gz DZQGXPLAFFJVKM-ARFHVFGLSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@]1(CC)C(C)C)c1ccncc1 ZINC000453407918 388076288 /nfs/dbraw/zinc/07/62/88/388076288.db2.gz DZQGXPLAFFJVKM-HRCADAONSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@]1(CC)C(C)C)c1ccncc1 ZINC000453407919 388076170 /nfs/dbraw/zinc/07/61/70/388076170.db2.gz DZQGXPLAFFJVKM-JYJNAYRXSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@]1(CC)C(C)C)c1ccncc1 ZINC000453407920 388075546 /nfs/dbraw/zinc/07/55/46/388075546.db2.gz DZQGXPLAFFJVKM-XHSDSOJGSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453408485 202764952 /nfs/dbraw/zinc/76/49/52/202764952.db2.gz GSMWWRKCAXASJL-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453408486 388075653 /nfs/dbraw/zinc/07/56/53/388075653.db2.gz GSMWWRKCAXASJL-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000453408534 388076155 /nfs/dbraw/zinc/07/61/55/388076155.db2.gz GYFGVBCKIBVPIZ-LLVKDONJSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000453408537 202765540 /nfs/dbraw/zinc/76/55/40/202765540.db2.gz GYFGVBCKIBVPIZ-NSHDSACASA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CCCC1 ZINC000453409128 386598807 /nfs/dbraw/zinc/59/88/07/386598807.db2.gz HHMZUJBPVZRSCG-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CCC1CC(F)(F)C1)C1CCCC1 ZINC000453409129 386599302 /nfs/dbraw/zinc/59/93/02/386599302.db2.gz HHMZUJBPVZRSCG-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC12CCC2 ZINC000453409345 388075915 /nfs/dbraw/zinc/07/59/15/388075915.db2.gz GFKCXVSASNWIJI-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC12CCC2 ZINC000453409350 388076161 /nfs/dbraw/zinc/07/61/61/388076161.db2.gz GFKCXVSASNWIJI-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1ccccn1 ZINC000453409617 388075642 /nfs/dbraw/zinc/07/56/42/388075642.db2.gz WPGDEWYFUYUWHX-CYBMUJFWSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1ccccn1 ZINC000453409618 200791938 /nfs/dbraw/zinc/79/19/38/200791938.db2.gz WPGDEWYFUYUWHX-ZDUSSCGKSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC12CCC2 ZINC000453409734 388075649 /nfs/dbraw/zinc/07/56/49/388075649.db2.gz GFKCXVSASNWIJI-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC12CCC2 ZINC000453409735 388075909 /nfs/dbraw/zinc/07/59/09/388075909.db2.gz GFKCXVSASNWIJI-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C)CCC1 ZINC000453409946 388076274 /nfs/dbraw/zinc/07/62/74/388076274.db2.gz GRZWQGDDJCPACQ-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@H](C)CC(C)(C)C)CCC1 ZINC000453409947 388075851 /nfs/dbraw/zinc/07/58/51/388075851.db2.gz GRZWQGDDJCPACQ-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)CCC1 ZINC000453409948 388076341 /nfs/dbraw/zinc/07/63/41/388076341.db2.gz GRZWQGDDJCPACQ-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO COC1(C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C)CCC1 ZINC000453409949 388077604 /nfs/dbraw/zinc/07/76/04/388077604.db2.gz GRZWQGDDJCPACQ-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000453410155 388077515 /nfs/dbraw/zinc/07/75/15/388077515.db2.gz ACKIPPYIZXLXEW-CWRNSKLLSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cc(C)ccn1 ZINC000453410156 388076876 /nfs/dbraw/zinc/07/68/76/388076876.db2.gz ACKIPPYIZXLXEW-FVQBIDKESA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000453410158 388077310 /nfs/dbraw/zinc/07/73/10/388077310.db2.gz ACKIPPYIZXLXEW-NUEKZKHPSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cc(C)ccn1 ZINC000453410159 388076786 /nfs/dbraw/zinc/07/67/86/388076786.db2.gz ACKIPPYIZXLXEW-VNQPRFMTSA-N 1 0 246.398 3.865 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000453413276 388077487 /nfs/dbraw/zinc/07/74/87/388077487.db2.gz SORGKXQFWGTEIX-QWHCGFSZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000453413278 388076530 /nfs/dbraw/zinc/07/65/30/388076530.db2.gz SORGKXQFWGTEIX-STQMWFEESA-N 1 0 246.398 3.873 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000453413281 202766183 /nfs/dbraw/zinc/76/61/83/202766183.db2.gz SPMACDUPGGINNP-FVQBIDKESA-N 1 0 247.382 3.603 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000453413283 388076566 /nfs/dbraw/zinc/07/65/66/388076566.db2.gz SPMACDUPGGINNP-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)c1 ZINC000453413568 388078784 /nfs/dbraw/zinc/07/87/84/388078784.db2.gz HXAADRPKKQZIFP-CHWSQXEVSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)c1 ZINC000453413572 388078212 /nfs/dbraw/zinc/07/82/12/388078212.db2.gz HXAADRPKKQZIFP-OLZOCXBDSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC000453413575 388077949 /nfs/dbraw/zinc/07/79/49/388077949.db2.gz HXAADRPKKQZIFP-QWHCGFSZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC000453413578 388078215 /nfs/dbraw/zinc/07/82/15/388078215.db2.gz HXAADRPKKQZIFP-STQMWFEESA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)OCC[NH2+]C1CCC2(CC2)CC1 ZINC000453414076 388077880 /nfs/dbraw/zinc/07/78/80/388077880.db2.gz SKUYDRINZCUXRY-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000453414469 388078460 /nfs/dbraw/zinc/07/84/60/388078460.db2.gz BDGKJZOQTRUOIJ-AEGPPILISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000453414470 202768750 /nfs/dbraw/zinc/76/87/50/202768750.db2.gz BDGKJZOQTRUOIJ-BPLDGKMQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000453414472 388078463 /nfs/dbraw/zinc/07/84/63/388078463.db2.gz BDGKJZOQTRUOIJ-NWANDNLSSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1ccncc1 ZINC000453414474 202769621 /nfs/dbraw/zinc/76/96/21/202769621.db2.gz BDGKJZOQTRUOIJ-VHDGCEQUSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453415964 388078133 /nfs/dbraw/zinc/07/81/33/388078133.db2.gz INTUJEFHRRXPRC-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453415970 386606511 /nfs/dbraw/zinc/60/65/11/386606511.db2.gz INTUJEFHRRXPRC-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC1CC(F)(F)C1 ZINC000453416194 398157150 /nfs/dbraw/zinc/15/71/50/398157150.db2.gz KBHNKJAHFLUYBJ-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453416196 398157058 /nfs/dbraw/zinc/15/70/58/398157058.db2.gz KBHNKJAHFLUYBJ-PJXYFTJBSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC1CC(F)(F)C1 ZINC000453416199 398157204 /nfs/dbraw/zinc/15/72/04/398157204.db2.gz KBHNKJAHFLUYBJ-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000453417049 388077871 /nfs/dbraw/zinc/07/78/71/388077871.db2.gz UKGWMTNFPQRGMN-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000453417050 388078473 /nfs/dbraw/zinc/07/84/73/388078473.db2.gz UKGWMTNFPQRGMN-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000453418898 388079165 /nfs/dbraw/zinc/07/91/65/388079165.db2.gz VJAFCGQQIKISCE-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000453418899 388079802 /nfs/dbraw/zinc/07/98/02/388079802.db2.gz VJAFCGQQIKISCE-CBBWQLFWSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000453418901 388079509 /nfs/dbraw/zinc/07/95/09/388079509.db2.gz VJAFCGQQIKISCE-QPSCCSFWSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000453418902 388079191 /nfs/dbraw/zinc/07/91/91/388079191.db2.gz VJAFCGQQIKISCE-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@@H]1CCC12CCCC2 ZINC000453419976 202769659 /nfs/dbraw/zinc/76/96/59/202769659.db2.gz XQHLQQJJJRRHFS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)OCC[NH2+][C@H]1CCC12CCCC2 ZINC000453419977 202769143 /nfs/dbraw/zinc/76/91/43/202769143.db2.gz XQHLQQJJJRRHFS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)C[C@@H]1C ZINC000453420044 388079571 /nfs/dbraw/zinc/07/95/71/388079571.db2.gz LIOMSTYUTCFGNU-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C[C@H]1C ZINC000453420045 388079253 /nfs/dbraw/zinc/07/92/53/388079253.db2.gz LIOMSTYUTCFGNU-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C[C@@H]1C ZINC000453420046 388080034 /nfs/dbraw/zinc/08/00/34/388080034.db2.gz LIOMSTYUTCFGNU-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)C[C@H]1C ZINC000453420047 388079987 /nfs/dbraw/zinc/07/99/87/388079987.db2.gz LIOMSTYUTCFGNU-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]1CCF ZINC000453420343 388079813 /nfs/dbraw/zinc/07/98/13/388079813.db2.gz KDQBQFTZJJQPKB-AGIUHOORSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000453420346 202768903 /nfs/dbraw/zinc/76/89/03/202768903.db2.gz KDQBQFTZJJQPKB-FRRDWIJNSA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000453420347 388079445 /nfs/dbraw/zinc/07/94/45/388079445.db2.gz KDQBQFTZJJQPKB-JHJVBQTASA-N 1 0 229.383 3.929 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000453420348 388079851 /nfs/dbraw/zinc/07/98/51/388079851.db2.gz KDQBQFTZJJQPKB-UPJWGTAASA-N 1 0 229.383 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC(F)(F)C2)o1 ZINC000453420421 388079528 /nfs/dbraw/zinc/07/95/28/388079528.db2.gz LODIGZXCQXHLPD-JTQLQIEISA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC(F)(F)C2)o1 ZINC000453420480 411490689 /nfs/dbraw/zinc/49/06/89/411490689.db2.gz LODIGZXCQXHLPD-SNVBAGLBSA-N 1 0 243.297 3.674 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453420546 202772058 /nfs/dbraw/zinc/77/20/58/202772058.db2.gz LOYDMZKGIAEARA-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453420547 388079698 /nfs/dbraw/zinc/07/96/98/388079698.db2.gz LOYDMZKGIAEARA-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453420548 200794112 /nfs/dbraw/zinc/79/41/12/200794112.db2.gz LOYDMZKGIAEARA-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453420666 411490656 /nfs/dbraw/zinc/49/06/56/411490656.db2.gz LOYDMZKGIAEARA-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccc(C)cn1 ZINC000453421044 388080393 /nfs/dbraw/zinc/08/03/93/388080393.db2.gz KTHUDDCIYVOJTE-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453421045 388080826 /nfs/dbraw/zinc/08/08/26/388080826.db2.gz KTHUDDCIYVOJTE-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453421046 388080823 /nfs/dbraw/zinc/08/08/23/388080823.db2.gz KTHUDDCIYVOJTE-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453421047 388080369 /nfs/dbraw/zinc/08/03/69/388080369.db2.gz KTHUDDCIYVOJTE-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)c1 ZINC000453422254 398158448 /nfs/dbraw/zinc/15/84/48/398158448.db2.gz LOBOCHBPGWANOK-CHWSQXEVSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)c1 ZINC000453422267 398158699 /nfs/dbraw/zinc/15/86/99/398158699.db2.gz LOBOCHBPGWANOK-OLZOCXBDSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC000453422275 200793920 /nfs/dbraw/zinc/79/39/20/200793920.db2.gz LOBOCHBPGWANOK-QWHCGFSZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC000453422283 398158437 /nfs/dbraw/zinc/15/84/37/398158437.db2.gz LOBOCHBPGWANOK-STQMWFEESA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)c(C)n1 ZINC000453422351 388080388 /nfs/dbraw/zinc/08/03/88/388080388.db2.gz LTRUGHCOUBKPEU-GHMZBOCLSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)c(C)n1 ZINC000453422352 388080879 /nfs/dbraw/zinc/08/08/79/388080879.db2.gz LTRUGHCOUBKPEU-MNOVXSKESA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)c(C)n1 ZINC000453422353 388080675 /nfs/dbraw/zinc/08/06/75/388080675.db2.gz LTRUGHCOUBKPEU-QWRGUYRKSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)c(C)n1 ZINC000453422354 202771272 /nfs/dbraw/zinc/77/12/72/202771272.db2.gz LTRUGHCOUBKPEU-WDEREUQCSA-N 1 0 249.402 3.569 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453422567 202772067 /nfs/dbraw/zinc/77/20/67/202772067.db2.gz MSXDUQPAKBGNOE-CYBMUJFWSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453422568 388080461 /nfs/dbraw/zinc/08/04/61/388080461.db2.gz MSXDUQPAKBGNOE-ZDUSSCGKSA-N 1 0 243.341 3.590 20 0 BHADRO CC1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453423423 388080757 /nfs/dbraw/zinc/08/07/57/388080757.db2.gz NBDDOISMDORULR-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CCC1 ZINC000453425953 388080790 /nfs/dbraw/zinc/08/07/90/388080790.db2.gz ODWPJVNJUVCBOY-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CCC1CC(F)(F)C1)C1CCC1 ZINC000453425954 388080485 /nfs/dbraw/zinc/08/04/85/388080485.db2.gz ODWPJVNJUVCBOY-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC(F)(F)C1)C(C)(C)C ZINC000453425980 388081374 /nfs/dbraw/zinc/08/13/74/388081374.db2.gz OFJBRSDVQXCODG-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CCC1CC(F)(F)C1)C(C)(C)C ZINC000453425982 388081459 /nfs/dbraw/zinc/08/14/59/388081459.db2.gz OFJBRSDVQXCODG-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CCC1 ZINC000453426115 388081739 /nfs/dbraw/zinc/08/17/39/388081739.db2.gz OOFDYYRRBFSEDM-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CCC1CC(F)(F)C1)C1CCC1 ZINC000453426117 388081237 /nfs/dbraw/zinc/08/12/37/388081237.db2.gz OOFDYYRRBFSEDM-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453426800 202771741 /nfs/dbraw/zinc/77/17/41/202771741.db2.gz OVHOGQZYKWJALD-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453426801 388081697 /nfs/dbraw/zinc/08/16/97/388081697.db2.gz OVHOGQZYKWJALD-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453426802 202771418 /nfs/dbraw/zinc/77/14/18/202771418.db2.gz OVHOGQZYKWJALD-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453426803 202771761 /nfs/dbraw/zinc/77/17/61/202771761.db2.gz OVHOGQZYKWJALD-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000453428198 388081353 /nfs/dbraw/zinc/08/13/53/388081353.db2.gz PPBKNDBYMSGCKZ-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000453428201 388081494 /nfs/dbraw/zinc/08/14/94/388081494.db2.gz PPBKNDBYMSGCKZ-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000453428204 388081341 /nfs/dbraw/zinc/08/13/41/388081341.db2.gz PPBKNDBYMSGCKZ-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000453428206 388081043 /nfs/dbraw/zinc/08/10/43/388081043.db2.gz PPBKNDBYMSGCKZ-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453428302 388081743 /nfs/dbraw/zinc/08/17/43/388081743.db2.gz PSMOMQFFFOGVQA-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453428304 388081809 /nfs/dbraw/zinc/08/18/09/388081809.db2.gz PSMOMQFFFOGVQA-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453428307 388081531 /nfs/dbraw/zinc/08/15/31/388081531.db2.gz PSMOMQFFFOGVQA-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453428308 388081603 /nfs/dbraw/zinc/08/16/03/388081603.db2.gz PSMOMQFFFOGVQA-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453428386 388081247 /nfs/dbraw/zinc/08/12/47/388081247.db2.gz HRROXEHPHSMEOI-CWRNSKLLSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000453428387 386612438 /nfs/dbraw/zinc/61/24/38/386612438.db2.gz HRROXEHPHSMEOI-FVQBIDKESA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453428394 386612748 /nfs/dbraw/zinc/61/27/48/386612748.db2.gz HRROXEHPHSMEOI-NUEKZKHPSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000453428401 386612918 /nfs/dbraw/zinc/61/29/18/386612918.db2.gz HRROXEHPHSMEOI-VNQPRFMTSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453428684 202773350 /nfs/dbraw/zinc/77/33/50/202773350.db2.gz PVWUTYCDMBEKND-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453428685 388081139 /nfs/dbraw/zinc/08/11/39/388081139.db2.gz PVWUTYCDMBEKND-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453428687 388081322 /nfs/dbraw/zinc/08/13/22/388081322.db2.gz PVWUTYCDMBEKND-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453428688 388081395 /nfs/dbraw/zinc/08/13/95/388081395.db2.gz PVWUTYCDMBEKND-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000453428696 202773248 /nfs/dbraw/zinc/77/32/48/202773248.db2.gz PWCGLULDWQFDEA-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000453428698 202773038 /nfs/dbraw/zinc/77/30/38/202773038.db2.gz PWCGLULDWQFDEA-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453428767 388081685 /nfs/dbraw/zinc/08/16/85/388081685.db2.gz PZMGHIKOFFDUBZ-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453428769 202773490 /nfs/dbraw/zinc/77/34/90/202773490.db2.gz PZMGHIKOFFDUBZ-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO CCCC(CCC)[NH2+]CCC1CC(F)(F)C1 ZINC000453428828 202772837 /nfs/dbraw/zinc/77/28/37/202772837.db2.gz QCSDZEGCXDSZFN-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453429246 202772359 /nfs/dbraw/zinc/77/23/59/202772359.db2.gz QGEAXJIHISJOQA-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453429248 202772691 /nfs/dbraw/zinc/77/26/91/202772691.db2.gz QGEAXJIHISJOQA-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC1(C)CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453429249 202773297 /nfs/dbraw/zinc/77/32/97/202773297.db2.gz QGMGVQOUWKEOFD-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC1CC(F)(F)C1 ZINC000453429372 388081421 /nfs/dbraw/zinc/08/14/21/388081421.db2.gz QMOVGMWBIUOWOR-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC1CC(F)(F)C1 ZINC000453429376 388081205 /nfs/dbraw/zinc/08/12/05/388081205.db2.gz QMOVGMWBIUOWOR-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453430847 388081639 /nfs/dbraw/zinc/08/16/39/388081639.db2.gz QWYLYXCZISZQIN-CABCVRRESA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453430848 388081528 /nfs/dbraw/zinc/08/15/28/388081528.db2.gz QWYLYXCZISZQIN-GJZGRUSLSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453430849 388081232 /nfs/dbraw/zinc/08/12/32/388081232.db2.gz QWYLYXCZISZQIN-HUUCEWRRSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453430850 202772313 /nfs/dbraw/zinc/77/23/13/202772313.db2.gz QWYLYXCZISZQIN-LSDHHAIUSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccncc1 ZINC000453431441 388081500 /nfs/dbraw/zinc/08/15/00/388081500.db2.gz RPDBDJLVKFNMNA-CVEARBPZSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccncc1 ZINC000453431442 202772731 /nfs/dbraw/zinc/77/27/31/202772731.db2.gz RPDBDJLVKFNMNA-HOTGVXAUSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccncc1 ZINC000453431443 202773353 /nfs/dbraw/zinc/77/33/53/202773353.db2.gz RPDBDJLVKFNMNA-HZPDHXFCSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccncc1 ZINC000453431444 388081804 /nfs/dbraw/zinc/08/18/04/388081804.db2.gz RPDBDJLVKFNMNA-JKSUJKDBSA-N 1 0 244.382 3.701 20 0 BHADRO COCC1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000453431464 388081492 /nfs/dbraw/zinc/08/14/92/388081492.db2.gz RRPDVMIVZKQFKX-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO COCC1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000453431465 388081387 /nfs/dbraw/zinc/08/13/87/388081387.db2.gz RRPDVMIVZKQFKX-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(C)(C)C ZINC000453432392 202772569 /nfs/dbraw/zinc/77/25/69/202772569.db2.gz RVOFBOMWRZZXPJ-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)C ZINC000453432393 388081090 /nfs/dbraw/zinc/08/10/90/388081090.db2.gz RVOFBOMWRZZXPJ-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(C)(C)C ZINC000453432394 388081705 /nfs/dbraw/zinc/08/17/05/388081705.db2.gz RVOFBOMWRZZXPJ-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(C)(C)C ZINC000453432395 202772668 /nfs/dbraw/zinc/77/26/68/202772668.db2.gz RVOFBOMWRZZXPJ-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccsc1 ZINC000453432771 388082352 /nfs/dbraw/zinc/08/23/52/388082352.db2.gz SGLIFDALOGFAQM-SECBINFHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccsc1 ZINC000453432773 388082354 /nfs/dbraw/zinc/08/23/54/388082354.db2.gz SGLIFDALOGFAQM-VIFPVBQESA-N 1 0 245.338 3.834 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453433393 388082464 /nfs/dbraw/zinc/08/24/64/388082464.db2.gz SKJFRNMEGOIBSA-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453433396 202773367 /nfs/dbraw/zinc/77/33/67/202773367.db2.gz SKJFRNMEGOIBSA-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453433398 388082283 /nfs/dbraw/zinc/08/22/83/388082283.db2.gz SKJFRNMEGOIBSA-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453433399 202773862 /nfs/dbraw/zinc/77/38/62/202773862.db2.gz SKJFRNMEGOIBSA-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CC([NH2+]CCC2CC(F)(F)C2)C[C@H](C)C1 ZINC000453433450 388081995 /nfs/dbraw/zinc/08/19/95/388081995.db2.gz SNRXUFWZEGYACV-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC2CC(F)(F)C2)C[C@@H](C)C1 ZINC000453433451 388082093 /nfs/dbraw/zinc/08/20/93/388082093.db2.gz SNRXUFWZEGYACV-PJXYFTJBSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC([NH2+]CCC2CC(F)(F)C2)C[C@@H](C)C1 ZINC000453433453 202772331 /nfs/dbraw/zinc/77/23/31/202772331.db2.gz SNRXUFWZEGYACV-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)CC(CC[NH2+]C2CCCCCC2)C1 ZINC000453434148 202773819 /nfs/dbraw/zinc/77/38/19/202773819.db2.gz TTZUESKOLKURNS-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000453435305 202773440 /nfs/dbraw/zinc/77/34/40/202773440.db2.gz UMZUCOASCCCBNF-NEPJUHHUSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1CCSCC1 ZINC000453435320 388082064 /nfs/dbraw/zinc/08/20/64/388082064.db2.gz UMZUCOASCCCBNF-NWDGAFQWSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000453435333 388082019 /nfs/dbraw/zinc/08/20/19/388082019.db2.gz UMZUCOASCCCBNF-RYUDHWBXSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C1CCSCC1 ZINC000453435345 388082472 /nfs/dbraw/zinc/08/24/72/388082472.db2.gz UMZUCOASCCCBNF-VXGBXAGGSA-N 1 0 243.460 3.932 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000453435865 388081986 /nfs/dbraw/zinc/08/19/86/388081986.db2.gz UTINCDCARNVDBE-CHWSQXEVSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453435867 388082406 /nfs/dbraw/zinc/08/24/06/388082406.db2.gz UTINCDCARNVDBE-OLZOCXBDSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cccc(CO)c1 ZINC000453435870 388082338 /nfs/dbraw/zinc/08/23/38/388082338.db2.gz UTINCDCARNVDBE-QWHCGFSZSA-N 1 0 249.398 3.654 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453435872 388082476 /nfs/dbraw/zinc/08/24/76/388082476.db2.gz UTINCDCARNVDBE-STQMWFEESA-N 1 0 249.398 3.654 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H]1C ZINC000453435944 388082332 /nfs/dbraw/zinc/08/23/32/388082332.db2.gz UMACNQVSUSDBTF-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]1C ZINC000453435945 388082275 /nfs/dbraw/zinc/08/22/75/388082275.db2.gz UMACNQVSUSDBTF-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@H]1C ZINC000453435946 388081966 /nfs/dbraw/zinc/08/19/66/388081966.db2.gz UMACNQVSUSDBTF-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]1C ZINC000453435947 388082446 /nfs/dbraw/zinc/08/24/46/388082446.db2.gz UMACNQVSUSDBTF-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000453437617 388082348 /nfs/dbraw/zinc/08/23/48/388082348.db2.gz LVMHPYDCKRAVKG-AEGPPILISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000453437618 388082124 /nfs/dbraw/zinc/08/21/24/388082124.db2.gz LVMHPYDCKRAVKG-BPLDGKMQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000453437619 388082372 /nfs/dbraw/zinc/08/23/72/388082372.db2.gz LVMHPYDCKRAVKG-NWANDNLSSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1ccccn1 ZINC000453437620 388082398 /nfs/dbraw/zinc/08/23/98/388082398.db2.gz LVMHPYDCKRAVKG-VHDGCEQUSA-N 1 0 232.371 3.557 20 0 BHADRO CC1(C)C[C@H](C[NH2+]C2CCCCCC2)CCO1 ZINC000453437914 388082546 /nfs/dbraw/zinc/08/25/46/388082546.db2.gz VJYMQNVYXUBTCW-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)C[C@@H](C[NH2+]C2CCCCCC2)CCO1 ZINC000453437916 388081889 /nfs/dbraw/zinc/08/18/89/388081889.db2.gz VJYMQNVYXUBTCW-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453438036 388082390 /nfs/dbraw/zinc/08/23/90/388082390.db2.gz VNHMTRVNPPORFC-GDBMZVCRSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453438043 388082281 /nfs/dbraw/zinc/08/22/81/388082281.db2.gz VNHMTRVNPPORFC-GOEBONIOSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453438047 388082493 /nfs/dbraw/zinc/08/24/93/388082493.db2.gz VNHMTRVNPPORFC-HOCLYGCPSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453438053 388082369 /nfs/dbraw/zinc/08/23/69/388082369.db2.gz VNHMTRVNPPORFC-ZBFHGGJFSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccc(C)cn1)C(C)(C)C ZINC000453438233 202773743 /nfs/dbraw/zinc/77/37/43/202773743.db2.gz VSHBCIFXTYDBBP-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccc(C)cn1)C(C)(C)C ZINC000453438236 388081880 /nfs/dbraw/zinc/08/18/80/388081880.db2.gz VSHBCIFXTYDBBP-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CCCCC1 ZINC000453438948 388082235 /nfs/dbraw/zinc/08/22/35/388082235.db2.gz VLAYJIKRFJGVQY-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCC1CC(F)(F)C1)C1CCCCC1 ZINC000453438949 202770540 /nfs/dbraw/zinc/77/05/40/202770540.db2.gz VLAYJIKRFJGVQY-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453440172 202772998 /nfs/dbraw/zinc/77/29/98/202772998.db2.gz WLGVRPNHCXUWSJ-BXKDBHETSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453440183 388082712 /nfs/dbraw/zinc/08/27/12/388082712.db2.gz WLGVRPNHCXUWSJ-CABZTGNLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453440192 388082813 /nfs/dbraw/zinc/08/28/13/388082813.db2.gz WLGVRPNHCXUWSJ-JOYOIKCWSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453440202 388083214 /nfs/dbraw/zinc/08/32/14/388083214.db2.gz WLGVRPNHCXUWSJ-SKDRFNHKSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453440323 388083061 /nfs/dbraw/zinc/08/30/61/388083061.db2.gz WSRDVNXBFQHKPC-BLLLJJGKSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453440324 388083025 /nfs/dbraw/zinc/08/30/25/388083025.db2.gz WSRDVNXBFQHKPC-LRDDRELGSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453440325 202773922 /nfs/dbraw/zinc/77/39/22/202773922.db2.gz WSRDVNXBFQHKPC-MLGOLLRUSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453440327 202773293 /nfs/dbraw/zinc/77/32/93/202773293.db2.gz WSRDVNXBFQHKPC-WBMJQRKESA-N 1 0 244.382 3.619 20 0 BHADRO FC1(F)CC(CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000453440772 202773528 /nfs/dbraw/zinc/77/35/28/202773528.db2.gz WFDSAALXQIJWLM-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453441211 388082799 /nfs/dbraw/zinc/08/27/99/388082799.db2.gz XJXACIFJEPBSEL-BLLLJJGKSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453441212 388082659 /nfs/dbraw/zinc/08/26/59/388082659.db2.gz XJXACIFJEPBSEL-LRDDRELGSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453441213 388082933 /nfs/dbraw/zinc/08/29/33/388082933.db2.gz XJXACIFJEPBSEL-MLGOLLRUSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453441214 388083240 /nfs/dbraw/zinc/08/32/40/388083240.db2.gz XJXACIFJEPBSEL-WBMJQRKESA-N 1 0 244.382 3.619 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453443446 388082911 /nfs/dbraw/zinc/08/29/11/388082911.db2.gz XPVMZODLGYUTFT-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453443447 388083263 /nfs/dbraw/zinc/08/32/63/388083263.db2.gz XPVMZODLGYUTFT-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC1CC(F)(F)C1 ZINC000453443482 388083241 /nfs/dbraw/zinc/08/32/41/388083241.db2.gz XTBLXCGHNSJQPG-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC1CC(F)(F)C1 ZINC000453443483 388082884 /nfs/dbraw/zinc/08/28/84/388082884.db2.gz XTBLXCGHNSJQPG-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453444294 202774295 /nfs/dbraw/zinc/77/42/95/202774295.db2.gz XWWNLCGOLBMXTR-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453444295 202770956 /nfs/dbraw/zinc/77/09/56/202770956.db2.gz XWWNLCGOLBMXTR-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453444297 388080600 /nfs/dbraw/zinc/08/06/00/388080600.db2.gz XWWNLCGOLBMXTR-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453444301 202771975 /nfs/dbraw/zinc/77/19/75/202771975.db2.gz XWWNLCGOLBMXTR-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccs1 ZINC000453446187 388083071 /nfs/dbraw/zinc/08/30/71/388083071.db2.gz YNPZYLUNNHHFQK-SECBINFHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cccs1 ZINC000453446189 388083136 /nfs/dbraw/zinc/08/31/36/388083136.db2.gz YNPZYLUNNHHFQK-VIFPVBQESA-N 1 0 245.338 3.834 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000453446234 388083235 /nfs/dbraw/zinc/08/32/35/388083235.db2.gz YPTVXVVBCNQJMD-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000453446236 388082849 /nfs/dbraw/zinc/08/28/49/388082849.db2.gz YPTVXVVBCNQJMD-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000453446238 388083145 /nfs/dbraw/zinc/08/31/45/388083145.db2.gz YPTVXVVBCNQJMD-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000453446240 202776213 /nfs/dbraw/zinc/77/62/13/202776213.db2.gz YPTVXVVBCNQJMD-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCC1CC(F)(F)C1 ZINC000453447121 388082889 /nfs/dbraw/zinc/08/28/89/388082889.db2.gz ZBZJHKBBTYZHCH-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCC1CC(F)(F)C1 ZINC000453447122 388083202 /nfs/dbraw/zinc/08/32/02/388083202.db2.gz ZBZJHKBBTYZHCH-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453448248 388082953 /nfs/dbraw/zinc/08/29/53/388082953.db2.gz ZJTNEWHPOCOSFQ-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453448249 388082703 /nfs/dbraw/zinc/08/27/03/388082703.db2.gz ZJTNEWHPOCOSFQ-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453448250 388082896 /nfs/dbraw/zinc/08/28/96/388082896.db2.gz ZJTNEWHPOCOSFQ-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453448251 388082892 /nfs/dbraw/zinc/08/28/92/388082892.db2.gz ZJTNEWHPOCOSFQ-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453448252 388082692 /nfs/dbraw/zinc/08/26/92/388082692.db2.gz ZJWVFERQUCJMGT-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453448253 388082929 /nfs/dbraw/zinc/08/29/29/388082929.db2.gz ZJWVFERQUCJMGT-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453448255 202776253 /nfs/dbraw/zinc/77/62/53/202776253.db2.gz ZJWVFERQUCJMGT-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000453448256 388083255 /nfs/dbraw/zinc/08/32/55/388083255.db2.gz ZJWVFERQUCJMGT-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453449680 388082729 /nfs/dbraw/zinc/08/27/29/388082729.db2.gz ZZDUTSFLCMPKCS-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453449683 388083075 /nfs/dbraw/zinc/08/30/75/388083075.db2.gz ZZDUTSFLCMPKCS-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000453449782 388083140 /nfs/dbraw/zinc/08/31/40/388083140.db2.gz QJTFMUIYJUWGDN-AEGPPILISA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cccnc1 ZINC000453449783 388083097 /nfs/dbraw/zinc/08/30/97/388083097.db2.gz QJTFMUIYJUWGDN-BPLDGKMQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000453449784 388083166 /nfs/dbraw/zinc/08/31/66/388083166.db2.gz QJTFMUIYJUWGDN-NWANDNLSSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cccnc1 ZINC000453449785 388082880 /nfs/dbraw/zinc/08/28/80/388082880.db2.gz QJTFMUIYJUWGDN-VHDGCEQUSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000453453766 388083554 /nfs/dbraw/zinc/08/35/54/388083554.db2.gz TVRLYAWMVLOPHI-CYZMBNFOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cncs1 ZINC000453453767 388083588 /nfs/dbraw/zinc/08/35/88/388083588.db2.gz TVRLYAWMVLOPHI-KGYLQXTDSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cncs1 ZINC000453453769 388083551 /nfs/dbraw/zinc/08/35/51/388083551.db2.gz TVRLYAWMVLOPHI-RAIGVLPGSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000453453770 388083924 /nfs/dbraw/zinc/08/39/24/388083924.db2.gz TVRLYAWMVLOPHI-WCFLWFBJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1nccs1 ZINC000453457399 388084034 /nfs/dbraw/zinc/08/40/34/388084034.db2.gz VJLFZJQAANIJDR-DMDPSCGWSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1nccs1 ZINC000453457400 388084177 /nfs/dbraw/zinc/08/41/77/388084177.db2.gz VJLFZJQAANIJDR-GMXVVIOVSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1nccs1 ZINC000453457401 388083679 /nfs/dbraw/zinc/08/36/79/388083679.db2.gz VJLFZJQAANIJDR-NQBHXWOUSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1nccs1 ZINC000453457402 388083481 /nfs/dbraw/zinc/08/34/81/388083481.db2.gz VJLFZJQAANIJDR-NTZNESFSSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000453459425 388084048 /nfs/dbraw/zinc/08/40/48/388084048.db2.gz WMGWOCDDAJISHR-CWRNSKLLSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000453459426 388084189 /nfs/dbraw/zinc/08/41/89/388084189.db2.gz WMGWOCDDAJISHR-FVQBIDKESA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000453459427 388083852 /nfs/dbraw/zinc/08/38/52/388083852.db2.gz WMGWOCDDAJISHR-NUEKZKHPSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cnccc1C ZINC000453459428 388083912 /nfs/dbraw/zinc/08/39/12/388083912.db2.gz WMGWOCDDAJISHR-VNQPRFMTSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1sccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453576671 388086643 /nfs/dbraw/zinc/08/66/43/388086643.db2.gz GMFIZAFVRKFTCF-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cccc(C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000453581611 388086326 /nfs/dbraw/zinc/08/63/26/388086326.db2.gz AGBCRLLIOWENTH-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453582145 388086512 /nfs/dbraw/zinc/08/65/12/388086512.db2.gz BKSRVJIGNFYUCC-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO CCOc1c(Cl)cccc1C[NH2+][C@@H](C)CC ZINC000453582454 388085612 /nfs/dbraw/zinc/08/56/12/388085612.db2.gz MQNBGAVRUSHKGS-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO CCOc1c(Cl)cccc1C[NH2+][C@H](C)CC ZINC000453582455 388085852 /nfs/dbraw/zinc/08/58/52/388085852.db2.gz MQNBGAVRUSHKGS-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)s1 ZINC000453583843 388087764 /nfs/dbraw/zinc/08/77/64/388087764.db2.gz DKVLFIKEHLVQFI-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc(C[NH2+]CCC2CC(F)(F)C2)cs1 ZINC000453584902 388087790 /nfs/dbraw/zinc/08/77/90/388087790.db2.gz RCHFZIBVEORDMM-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCC1CC(F)(F)C1 ZINC000453584919 388087524 /nfs/dbraw/zinc/08/75/24/388087524.db2.gz RFGKCJDGADPQTI-LLVKDONJSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCC1CC(F)(F)C1 ZINC000453584920 388087462 /nfs/dbraw/zinc/08/74/62/388087462.db2.gz RFGKCJDGADPQTI-NSHDSACASA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453586464 388087879 /nfs/dbraw/zinc/08/78/79/388087879.db2.gz VBCXDFDEQALHLH-CYBMUJFWSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453586465 388087443 /nfs/dbraw/zinc/08/74/43/388087443.db2.gz VBCXDFDEQALHLH-ZDUSSCGKSA-N 1 0 239.403 3.526 20 0 BHADRO Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000453587575 388087134 /nfs/dbraw/zinc/08/71/34/388087134.db2.gz KMIVXRBYLCUSEL-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccsc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453589483 388087329 /nfs/dbraw/zinc/08/73/29/388087329.db2.gz NAVZRSQENBLCKB-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO FC1(F)CC(CC[NH2+]CC2CCCCC2)C1 ZINC000453593812 388088056 /nfs/dbraw/zinc/08/80/56/388088056.db2.gz VMCRMUOVJWTEHT-UHFFFAOYSA-N 1 0 231.330 3.592 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CC(C)(C)C)cn1 ZINC000453595050 202781406 /nfs/dbraw/zinc/78/14/06/202781406.db2.gz CKEHAURMNJLGHK-GFCCVEGCSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cn1 ZINC000453595051 388089057 /nfs/dbraw/zinc/08/90/57/388089057.db2.gz CKEHAURMNJLGHK-LBPRGKRZSA-N 1 0 234.387 3.558 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)CCO1 ZINC000453597349 202781260 /nfs/dbraw/zinc/78/12/60/202781260.db2.gz HMXHZRSAOYPKMF-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000453597352 388089805 /nfs/dbraw/zinc/08/98/05/388089805.db2.gz HMXHZRSAOYPKMF-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)CCO1 ZINC000453597354 388089844 /nfs/dbraw/zinc/08/98/44/388089844.db2.gz HMXHZRSAOYPKMF-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)CC(C)(C)C)CCO1 ZINC000453597356 202782164 /nfs/dbraw/zinc/78/21/64/202782164.db2.gz HMXHZRSAOYPKMF-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc2cccnc2o1 ZINC000453598946 388090152 /nfs/dbraw/zinc/09/01/52/388090152.db2.gz KNGIKGVSNYCPBH-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc2cccnc2o1 ZINC000453598947 388090311 /nfs/dbraw/zinc/09/03/11/388090311.db2.gz KNGIKGVSNYCPBH-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C/C=C\c1ccncc1 ZINC000453599689 388089637 /nfs/dbraw/zinc/08/96/37/388089637.db2.gz LPRCXCDHFOKQAQ-CFHLNLSMSA-N 1 0 232.371 3.509 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C/C=C/c1ccncc1 ZINC000453599691 388090167 /nfs/dbraw/zinc/09/01/67/388090167.db2.gz LPRCXCDHFOKQAQ-GFUIURDCSA-N 1 0 232.371 3.509 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C/C=C\c1ccncc1 ZINC000453599692 388090263 /nfs/dbraw/zinc/09/02/63/388090263.db2.gz LPRCXCDHFOKQAQ-SZZPACECSA-N 1 0 232.371 3.509 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C/C=C/c1ccncc1 ZINC000453599693 388089887 /nfs/dbraw/zinc/08/98/87/388089887.db2.gz LPRCXCDHFOKQAQ-URWSZGRFSA-N 1 0 232.371 3.509 20 0 BHADRO CCC1C[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000453602314 388090178 /nfs/dbraw/zinc/09/01/78/388090178.db2.gz JAYFRHDJTZRFDO-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO CCC1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000453602381 323154945 /nfs/dbraw/zinc/15/49/45/323154945.db2.gz JRRZHXGFPRAOFY-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO Cc1ccc(CCC[NH2+][C@@H](C)CC(C)(C)C)cn1 ZINC000453602797 388090634 /nfs/dbraw/zinc/09/06/34/388090634.db2.gz PQOSWSPQYSYQLW-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(CCC[NH2+][C@H](C)CC(C)(C)C)cn1 ZINC000453602798 388090770 /nfs/dbraw/zinc/09/07/70/388090770.db2.gz PQOSWSPQYSYQLW-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO COc1ccsc1C[NH2+][C@@H](C)CC(C)(C)C ZINC000453603028 388091050 /nfs/dbraw/zinc/09/10/50/388091050.db2.gz PXWPSWVXMHUGME-JTQLQIEISA-N 1 0 241.400 3.671 20 0 BHADRO COc1ccsc1C[NH2+][C@H](C)CC(C)(C)C ZINC000453603060 202781450 /nfs/dbraw/zinc/78/14/50/202781450.db2.gz PXWPSWVXMHUGME-SNVBAGLBSA-N 1 0 241.400 3.671 20 0 BHADRO CC1(C)CC(Nc2ccc3c[nH+]ccc3c2)C1 ZINC000453608134 388090464 /nfs/dbraw/zinc/09/04/64/388090464.db2.gz DLBJUYJSXXBTQQ-UHFFFAOYSA-N 1 0 226.323 3.835 20 0 BHADRO Cc1ccncc1CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000453608941 388092081 /nfs/dbraw/zinc/09/20/81/388092081.db2.gz YUFRKTBDQAXKJM-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccncc1CCC[NH2+][C@H](C)CC(C)(C)C ZINC000453608943 388092752 /nfs/dbraw/zinc/09/27/52/388092752.db2.gz YUFRKTBDQAXKJM-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CC(C)(C)CNc1ccc2c[nH+]ccc2c1 ZINC000453609573 388091946 /nfs/dbraw/zinc/09/19/46/388091946.db2.gz GCUKFSYTMQTLND-UHFFFAOYSA-N 1 0 214.312 3.693 20 0 BHADRO CCC1C[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000453609918 388092713 /nfs/dbraw/zinc/09/27/13/388092713.db2.gz XCXGVBQNCJJNKU-UHFFFAOYSA-N 1 0 243.272 3.547 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C/c1ccncc1 ZINC000453611584 388092013 /nfs/dbraw/zinc/09/20/13/388092013.db2.gz CHECNXCNQOTNJU-HMQGTJFBSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C\c1ccncc1 ZINC000453611585 202785248 /nfs/dbraw/zinc/78/52/48/202785248.db2.gz CHECNXCNQOTNJU-QAOXIVLQSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C\c1ccncc1 ZINC000453611587 388091887 /nfs/dbraw/zinc/09/18/87/388091887.db2.gz CHECNXCNQOTNJU-UYTOFJLZSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C/c1ccncc1 ZINC000453611589 202783815 /nfs/dbraw/zinc/78/38/15/202783815.db2.gz CHECNXCNQOTNJU-WQELODFKSA-N 1 0 244.382 3.653 20 0 BHADRO c1cc2cc(N[C@H]3CC[C@@H]3C3CC3)ccc2c[nH+]1 ZINC000453614300 488203276 /nfs/dbraw/zinc/20/32/76/488203276.db2.gz LYBCQPRPVJQGJV-CVEARBPZSA-N 1 0 238.334 3.835 20 0 BHADRO c1cc2cc(N[C@H]3CC[C@H]3C3CC3)ccc2c[nH+]1 ZINC000453614304 488203601 /nfs/dbraw/zinc/20/36/01/488203601.db2.gz LYBCQPRPVJQGJV-HOTGVXAUSA-N 1 0 238.334 3.835 20 0 BHADRO c1cc2cc(N[C@@H]3CC[C@@H]3C3CC3)ccc2c[nH+]1 ZINC000453614307 488203632 /nfs/dbraw/zinc/20/36/32/488203632.db2.gz LYBCQPRPVJQGJV-HZPDHXFCSA-N 1 0 238.334 3.835 20 0 BHADRO c1cc2cc(N[C@@H]3CC[C@H]3C3CC3)ccc2c[nH+]1 ZINC000453614309 488203559 /nfs/dbraw/zinc/20/35/59/488203559.db2.gz LYBCQPRPVJQGJV-JKSUJKDBSA-N 1 0 238.334 3.835 20 0 BHADRO CCC(CC)Nc1ccc2c[nH+]ccc2c1 ZINC000453614314 388092339 /nfs/dbraw/zinc/09/23/39/388092339.db2.gz LYHRGXHZSWOAOG-UHFFFAOYSA-N 1 0 214.312 3.835 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000453616075 411494094 /nfs/dbraw/zinc/49/40/94/411494094.db2.gz RKIHSMRUDHYDOF-DOOVEFGSSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000453616080 200794767 /nfs/dbraw/zinc/79/47/67/200794767.db2.gz RKIHSMRUDHYDOF-DZEZYYDTSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000453616083 200794293 /nfs/dbraw/zinc/79/42/93/200794293.db2.gz RKIHSMRUDHYDOF-ILNYKDOHSA-N 1 0 244.382 3.509 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000453616095 411493907 /nfs/dbraw/zinc/49/39/07/411493907.db2.gz RKIHSMRUDHYDOF-LGZALOBFSA-N 1 0 244.382 3.509 20 0 BHADRO CC(C)[C@@H](C)Nc1ccc2c[nH+]ccc2c1 ZINC000453616386 388093786 /nfs/dbraw/zinc/09/37/86/388093786.db2.gz OANRLIPTCNDXGT-LLVKDONJSA-N 1 0 214.312 3.691 20 0 BHADRO CC(C)[C@H](C)Nc1ccc2c[nH+]ccc2c1 ZINC000453616388 388093310 /nfs/dbraw/zinc/09/33/10/388093310.db2.gz OANRLIPTCNDXGT-NSHDSACASA-N 1 0 214.312 3.691 20 0 BHADRO C[C@@H](Nc1ccc2c[nH+]ccc2c1)C1CCC1 ZINC000453617075 388093682 /nfs/dbraw/zinc/09/36/82/388093682.db2.gz PARZAPSMQUUEIN-LLVKDONJSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@H](Nc1ccc2c[nH+]ccc2c1)C1CCC1 ZINC000453617078 411493552 /nfs/dbraw/zinc/49/35/52/411493552.db2.gz PARZAPSMQUUEIN-NSHDSACASA-N 1 0 226.323 3.835 20 0 BHADRO C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)[C@@H]1C ZINC000453621163 388093678 /nfs/dbraw/zinc/09/36/78/388093678.db2.gz UETFJOSWZAJVOB-HFAKWTLXSA-N 1 0 226.323 3.691 20 0 BHADRO C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)[C@H]1C ZINC000453621164 388093169 /nfs/dbraw/zinc/09/31/69/388093169.db2.gz UETFJOSWZAJVOB-JRPNMDOOSA-N 1 0 226.323 3.691 20 0 BHADRO C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)[C@@H]1C ZINC000453621165 388093174 /nfs/dbraw/zinc/09/31/74/388093174.db2.gz UETFJOSWZAJVOB-UEKVPHQBSA-N 1 0 226.323 3.691 20 0 BHADRO C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)[C@H]1C ZINC000453621166 388093123 /nfs/dbraw/zinc/09/31/23/388093123.db2.gz UETFJOSWZAJVOB-ZETOZRRWSA-N 1 0 226.323 3.691 20 0 BHADRO CC1(C)Cc2ccsc2C[N@@H+]1Cc1ccco1 ZINC000453621421 388093238 /nfs/dbraw/zinc/09/32/38/388093238.db2.gz MOAUJJJFPKCGNL-UHFFFAOYSA-N 1 0 247.363 3.678 20 0 BHADRO C[C@H](CC1CC1)Nc1ccc2c[nH+]ccc2c1 ZINC000453625733 388094893 /nfs/dbraw/zinc/09/48/93/388094893.db2.gz ZASMAIRKBYXDGQ-LLVKDONJSA-N 1 0 226.323 3.835 20 0 BHADRO C[C@@H](CC1CC1)Nc1ccc2c[nH+]ccc2c1 ZINC000453625734 388094287 /nfs/dbraw/zinc/09/42/87/388094287.db2.gz ZASMAIRKBYXDGQ-NSHDSACASA-N 1 0 226.323 3.835 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CCC1 ZINC000459275031 203245740 /nfs/dbraw/zinc/24/57/40/203245740.db2.gz CZFDBEOJEMAKGX-HOTGVXAUSA-N 1 0 229.367 3.522 20 0 BHADRO CCC[N@H+](CC)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459275033 203245096 /nfs/dbraw/zinc/24/50/96/203245096.db2.gz CZSNXDOXYINOLO-GJZGRUSLSA-N 1 0 217.356 3.522 20 0 BHADRO C[N@@H+](Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459285994 203248623 /nfs/dbraw/zinc/24/86/23/203248623.db2.gz CQMKPUPTKOJITI-UHFFFAOYSA-N 1 0 243.297 3.537 20 0 BHADRO CCCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459286988 203247880 /nfs/dbraw/zinc/24/78/80/203247880.db2.gz DJMCVYQZXVRKPW-GJZGRUSLSA-N 1 0 217.356 3.522 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1ccc(C2CC2)cc1 ZINC000459290847 203248512 /nfs/dbraw/zinc/24/85/12/203248512.db2.gz LPKVZURNCIAQKX-UHFFFAOYSA-N 1 0 241.334 3.789 20 0 BHADRO 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/nfs/dbraw/zinc/14/60/36/324146036.db2.gz PEGDNYHCHTVLRP-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000459370559 388242606 /nfs/dbraw/zinc/24/26/06/388242606.db2.gz IYVIOOPSQXKZKD-CYBMUJFWSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000459370560 388242401 /nfs/dbraw/zinc/24/24/01/388242401.db2.gz IYVIOOPSQXKZKD-ZDUSSCGKSA-N 1 0 243.341 3.544 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459371217 490152976 /nfs/dbraw/zinc/15/29/76/490152976.db2.gz JLVYFEADRIGKJH-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO Clc1cccc(CC[N@@H+]2CCC23CCC3)c1 ZINC000459371291 388243022 /nfs/dbraw/zinc/24/30/22/388243022.db2.gz JARDBYHEWCMZHL-UHFFFAOYSA-N 1 0 235.758 3.511 20 0 BHADRO Cc1occc1C[NH2+]CCc1cccc(Cl)c1 ZINC000459373109 206125049 /nfs/dbraw/zinc/12/50/49/206125049.db2.gz MNXNODQRTORVQA-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CCC(C)(C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459373984 206124740 /nfs/dbraw/zinc/12/47/40/206124740.db2.gz ITERTCWKIGMALD-UHFFFAOYSA-N 1 0 233.346 3.932 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C1CC2(CCC2)C1 ZINC000459376216 388242585 /nfs/dbraw/zinc/24/25/85/388242585.db2.gz RMGUKMREAMFQIL-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C1CC2(CCC2)C1 ZINC000459376220 259504434 /nfs/dbraw/zinc/50/44/34/259504434.db2.gz RMGUKMREAMFQIL-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO CC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459377211 388242539 /nfs/dbraw/zinc/24/25/39/388242539.db2.gz XJYHWMSLTNMPQJ-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459377212 388242991 /nfs/dbraw/zinc/24/29/91/388242991.db2.gz XJYHWMSLTNMPQJ-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1CC2(CCC2)C1 ZINC000459383621 203271092 /nfs/dbraw/zinc/27/10/92/203271092.db2.gz GRBHRTQLDLEEMU-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1CC2(CCC2)C1 ZINC000459383622 203270905 /nfs/dbraw/zinc/27/09/05/203270905.db2.gz GRBHRTQLDLEEMU-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]CC2CCCC2)cc1 ZINC000459384275 203270241 /nfs/dbraw/zinc/27/02/41/203270241.db2.gz GZBOKWGTQHEAHS-HOTGVXAUSA-N 1 0 229.367 3.570 20 0 BHADRO Clc1ccc(C[NH2+]C2CC3(CCC3)C2)s1 ZINC000459388604 203270867 /nfs/dbraw/zinc/27/08/67/203270867.db2.gz LVXYEHBSWZZMBM-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000459388985 203271882 /nfs/dbraw/zinc/27/18/82/203271882.db2.gz PWOKQMGKLKXOSJ-HOTGVXAUSA-N 1 0 241.378 3.568 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCc2ccsc2)C1 ZINC000459399461 203275049 /nfs/dbraw/zinc/27/50/49/203275049.db2.gz ZXCAVDVZYIJIAH-UHFFFAOYSA-N 1 0 237.412 3.705 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000459399566 203275132 /nfs/dbraw/zinc/27/51/32/203275132.db2.gz VJZGIJIGQUWVNS-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000459399568 387936982 /nfs/dbraw/zinc/93/69/82/387936982.db2.gz VJZGIJIGQUWVNS-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCCC(F)(F)F)C1 ZINC000459409578 203276940 /nfs/dbraw/zinc/27/69/40/203276940.db2.gz BUJIUFUJCIBNRW-UHFFFAOYSA-N 1 0 237.309 3.743 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C1CC2(CCC2)C1 ZINC000459409709 203277833 /nfs/dbraw/zinc/27/78/33/203277833.db2.gz JOYZKXLAZMWSDN-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459411474 203277528 /nfs/dbraw/zinc/27/75/28/203277528.db2.gz LVMWEGZPNIIFAK-GDBMZVCRSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@H]2C[C@H]2[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459411475 203277164 /nfs/dbraw/zinc/27/71/64/203277164.db2.gz LVMWEGZPNIIFAK-GOEBONIOSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@H]2C[C@@H]2[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459411476 203277461 /nfs/dbraw/zinc/27/74/61/203277461.db2.gz LVMWEGZPNIIFAK-HOCLYGCPSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459411477 203276487 /nfs/dbraw/zinc/27/64/87/203276487.db2.gz LVMWEGZPNIIFAK-ZBFHGGJFSA-N 1 0 241.378 3.540 20 0 BHADRO CC(C)(C)C1CC([NH2+]CC2CCSCC2)C1 ZINC000459412448 203276038 /nfs/dbraw/zinc/27/60/38/203276038.db2.gz KWPIKWSJHILBPJ-UHFFFAOYSA-N 1 0 241.444 3.544 20 0 BHADRO C[N@H+](CC1CCC(F)(F)CC1)[C@@H]1CC1(C)C ZINC000459414884 203275544 /nfs/dbraw/zinc/27/55/44/203275544.db2.gz ARPNJIMLWQMDBN-LLVKDONJSA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](CC1CCC(F)(F)CC1)[C@H]1CC1(C)C ZINC000459414888 203275384 /nfs/dbraw/zinc/27/53/84/203275384.db2.gz ARPNJIMLWQMDBN-NSHDSACASA-N 1 0 231.330 3.542 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000459415776 203278582 /nfs/dbraw/zinc/27/85/82/203278582.db2.gz XEELOJBFHXUZOP-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO C[C@H](C[NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000459416408 203278622 /nfs/dbraw/zinc/27/86/22/203278622.db2.gz XMUJCPSPUWBGQJ-GFCCVEGCSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000459416410 203278554 /nfs/dbraw/zinc/27/85/54/203278554.db2.gz XMUJCPSPUWBGQJ-LBPRGKRZSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459416976 203278577 /nfs/dbraw/zinc/27/85/77/203278577.db2.gz UHBGTLZIXIVWSZ-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459416977 203278368 /nfs/dbraw/zinc/27/83/68/203278368.db2.gz UHBGTLZIXIVWSZ-RCBQFDQVSA-N 1 0 229.367 3.568 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C1CC2(CCC2)C1 ZINC000459418392 203278205 /nfs/dbraw/zinc/27/82/05/203278205.db2.gz VMAUHYULYPHRIY-XBXARRHUSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C1CC2(CCC2)C1 ZINC000459418393 203278290 /nfs/dbraw/zinc/27/82/90/203278290.db2.gz VMAUHYULYPHRIY-YWEYNIOJSA-N 1 0 227.351 3.622 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000459420272 203278850 /nfs/dbraw/zinc/27/88/50/203278850.db2.gz KRUBOMMCZITQMB-GFCCVEGCSA-N 1 0 247.382 3.831 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000459420273 203278222 /nfs/dbraw/zinc/27/82/22/203278222.db2.gz KRUBOMMCZITQMB-LBPRGKRZSA-N 1 0 247.382 3.831 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CCCC23CCC3)CC1 ZINC000459420807 324147226 /nfs/dbraw/zinc/14/72/26/324147226.db2.gz GHCPIPPDUAVSLH-UHFFFAOYSA-N 1 0 243.341 3.830 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459428418 203281566 /nfs/dbraw/zinc/28/15/66/203281566.db2.gz OCWOKJRKPOXJJZ-OEAJRASXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459428419 387938505 /nfs/dbraw/zinc/93/85/05/387938505.db2.gz OCWOKJRKPOXJJZ-QCEMKRCNSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459428421 387939121 /nfs/dbraw/zinc/93/91/21/387939121.db2.gz OCWOKJRKPOXJJZ-SYAUCNOPSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459428425 387938193 /nfs/dbraw/zinc/93/81/93/387938193.db2.gz OCWOKJRKPOXJJZ-TUUVXOQKSA-N 1 0 229.367 3.568 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000459432240 203279572 /nfs/dbraw/zinc/27/95/72/203279572.db2.gz SEDJUHYHSCLSGP-CHWSQXEVSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000459432241 203279907 /nfs/dbraw/zinc/27/99/07/203279907.db2.gz SEDJUHYHSCLSGP-OLZOCXBDSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000459432243 203281128 /nfs/dbraw/zinc/28/11/28/203281128.db2.gz SEDJUHYHSCLSGP-QWHCGFSZSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000459432244 203280881 /nfs/dbraw/zinc/28/08/81/203280881.db2.gz SEDJUHYHSCLSGP-STQMWFEESA-N 1 0 243.341 3.686 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459433020 203281684 /nfs/dbraw/zinc/28/16/84/203281684.db2.gz AZOLDJCDJIAVPG-CABCVRRESA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459433022 200837521 /nfs/dbraw/zinc/83/75/21/200837521.db2.gz AZOLDJCDJIAVPG-GJZGRUSLSA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459433024 387940711 /nfs/dbraw/zinc/94/07/11/387940711.db2.gz AZOLDJCDJIAVPG-HUUCEWRRSA-N 1 0 247.407 3.548 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459433031 387941388 /nfs/dbraw/zinc/94/13/88/387941388.db2.gz AZOLDJCDJIAVPG-LSDHHAIUSA-N 1 0 247.407 3.548 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2C=CCCC2)C1 ZINC000459435507 203280351 /nfs/dbraw/zinc/28/03/51/203280351.db2.gz DHWBSALQZDCLBX-CPCZMJQVSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2C=CCCC2)C1 ZINC000459435508 203279915 /nfs/dbraw/zinc/27/99/15/203279915.db2.gz DHWBSALQZDCLBX-OTTFEQOBSA-N 1 0 207.361 3.509 20 0 BHADRO c1ccc(C2CC([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459437927 203281440 /nfs/dbraw/zinc/28/14/40/203281440.db2.gz ZPXODOAPLJLLLT-UHFFFAOYSA-N 1 0 241.378 3.855 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000459439383 203281476 /nfs/dbraw/zinc/28/14/76/203281476.db2.gz IJWVVNWYGCPMOA-CXQJBGSLSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000459439384 203281603 /nfs/dbraw/zinc/28/16/03/203281603.db2.gz IJWVVNWYGCPMOA-MOENNCHZSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@H]2CC=CCC2)C1 ZINC000459441821 528062140 /nfs/dbraw/zinc/06/21/40/528062140.db2.gz IIDAKTRAJOXLSN-GTPINHCMSA-N 1 0 241.378 3.805 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CC=CCC2)C1 ZINC000459441826 528062167 /nfs/dbraw/zinc/06/21/67/528062167.db2.gz IIDAKTRAJOXLSN-KLAILNCOSA-N 1 0 241.378 3.805 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CC=CCC2)C1 ZINC000459443430 527629288 /nfs/dbraw/zinc/62/92/88/527629288.db2.gz KSQOKJGPJNJIJK-CPCZMJQVSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CC=CCC2)C1 ZINC000459443435 388244161 /nfs/dbraw/zinc/24/41/61/388244161.db2.gz KSQOKJGPJNJIJK-OTTFEQOBSA-N 1 0 207.361 3.509 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000459444315 388244808 /nfs/dbraw/zinc/24/48/08/388244808.db2.gz LWYBEXCZSGZPSD-CYBMUJFWSA-N 1 0 245.391 3.756 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000459444331 388244811 /nfs/dbraw/zinc/24/48/11/388244811.db2.gz LWYBEXCZSGZPSD-ZDUSSCGKSA-N 1 0 245.391 3.756 20 0 BHADRO Clc1cccc(CC[NH2+][C@H]2CC=CCC2)c1 ZINC000459445824 388244837 /nfs/dbraw/zinc/24/48/37/388244837.db2.gz NKTGCYCOABOPOS-AWEZNQCLSA-N 1 0 235.758 3.581 20 0 BHADRO Clc1cccc(CC[NH2+][C@@H]2CC=CCC2)c1 ZINC000459445825 388244644 /nfs/dbraw/zinc/24/46/44/388244644.db2.gz NKTGCYCOABOPOS-CQSZACIVSA-N 1 0 235.758 3.581 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]Cc1cc(C)on1 ZINC000459446881 388244171 /nfs/dbraw/zinc/24/41/71/388244171.db2.gz QASRTZDMCIVDFT-CYBMUJFWSA-N 1 0 238.375 3.679 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]Cc1cc(C)on1 ZINC000459446883 388244548 /nfs/dbraw/zinc/24/45/48/388244548.db2.gz QASRTZDMCIVDFT-ZDUSSCGKSA-N 1 0 238.375 3.679 20 0 BHADRO CC(C)(C)C1CC([NH2+]C2CCC(F)(F)CC2)C1 ZINC000459447130 388244602 /nfs/dbraw/zinc/24/46/02/388244602.db2.gz GEGICEGLQFKFPN-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO CSCCCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459448188 388244500 /nfs/dbraw/zinc/24/45/00/388244500.db2.gz RUKZQFXYNJVOBY-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459456970 203282948 /nfs/dbraw/zinc/28/29/48/203282948.db2.gz FYDJESSSFZGTNG-GFCCVEGCSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459456971 203283037 /nfs/dbraw/zinc/28/30/37/203283037.db2.gz FYDJESSSFZGTNG-LBPRGKRZSA-N 1 0 244.382 3.627 20 0 BHADRO Cc1ccsc1CC[NH2+]C1CC2(CCC2)C1 ZINC000459457696 203285447 /nfs/dbraw/zinc/28/54/47/203285447.db2.gz GTGLHUIWMDZAEB-UHFFFAOYSA-N 1 0 235.396 3.521 20 0 BHADRO CC(C)CSCCC[NH2+]C1CC2(CCC2)C1 ZINC000459457910 203285007 /nfs/dbraw/zinc/28/50/07/203285007.db2.gz QKYFQNFMKZHXCX-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H](CSC)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459466000 206127461 /nfs/dbraw/zinc/12/74/61/206127461.db2.gz OLDFVXMILNPHQC-CXQJBGSLSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H](CSC)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459466003 206127212 /nfs/dbraw/zinc/12/72/12/206127212.db2.gz OLDFVXMILNPHQC-MOENNCHZSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)[NH+](CC1CCC(F)(F)CC1)C(C)C ZINC000459467522 206128220 /nfs/dbraw/zinc/12/82/20/206128220.db2.gz KOBKJCAJSNWWGV-UHFFFAOYSA-N 1 0 233.346 3.931 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459476519 203286644 /nfs/dbraw/zinc/28/66/44/203286644.db2.gz RGPXYJOEKQFYHW-LLVKDONJSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459476520 203287900 /nfs/dbraw/zinc/28/79/00/203287900.db2.gz RGPXYJOEKQFYHW-NSHDSACASA-N 1 0 245.357 3.932 20 0 BHADRO CS[C@H](C[NH2+]C1CC2(CCC2)C1)C(C)(C)C ZINC000459476619 200838329 /nfs/dbraw/zinc/83/83/29/200838329.db2.gz GQFQPASWIBIPLE-GFCCVEGCSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H](C[NH2+]C1CC2(CCC2)C1)C(C)(C)C ZINC000459476625 200838324 /nfs/dbraw/zinc/83/83/24/200838324.db2.gz GQFQPASWIBIPLE-LBPRGKRZSA-N 1 0 241.444 3.686 20 0 BHADRO c1cc(C2CC2)ccc1C[N@@H+]1CCCSCC1 ZINC000459477435 203287194 /nfs/dbraw/zinc/28/71/94/203287194.db2.gz HEDDDIYVZCPOIS-UHFFFAOYSA-N 1 0 247.407 3.503 20 0 BHADRO CC(C)C1([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000459481294 203290556 /nfs/dbraw/zinc/29/05/56/203290556.db2.gz AZMHTZIMZJOCLH-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(F)CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459481843 203291560 /nfs/dbraw/zinc/29/15/60/203291560.db2.gz BMDPLKCANKSWRX-GFCCVEGCSA-N 1 0 249.320 3.636 20 0 BHADRO C[C@]1(F)CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459481847 203291159 /nfs/dbraw/zinc/29/11/59/203291159.db2.gz BMDPLKCANKSWRX-LBPRGKRZSA-N 1 0 249.320 3.636 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000459483757 203289723 /nfs/dbraw/zinc/28/97/23/203289723.db2.gz SABVTMSOCCIMFB-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000459483758 203289597 /nfs/dbraw/zinc/28/95/97/203289597.db2.gz SABVTMSOCCIMFB-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000459489371 203292077 /nfs/dbraw/zinc/29/20/77/203292077.db2.gz JXMNPGBNIXDSRL-LTIDMASMSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000459489372 387949280 /nfs/dbraw/zinc/94/92/80/387949280.db2.gz JXMNPGBNIXDSRL-LUKYLMHMSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000459489374 219955742 /nfs/dbraw/zinc/95/57/42/219955742.db2.gz JXMNPGBNIXDSRL-QAETUUGQSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000459489375 387949997 /nfs/dbraw/zinc/94/99/97/387949997.db2.gz JXMNPGBNIXDSRL-QZWWFDLISA-N 1 0 241.378 3.665 20 0 BHADRO CC(C)OCCCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459489878 203291745 /nfs/dbraw/zinc/29/17/45/203291745.db2.gz WGNSDMFBPMZHQH-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO c1cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2[nH]1 ZINC000459503181 203293298 /nfs/dbraw/zinc/29/32/98/203293298.db2.gz GBJGGYMJAAYHMP-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CSCCCCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459503439 203292844 /nfs/dbraw/zinc/29/28/44/203292844.db2.gz PXNVLTHUWGZXKE-UHFFFAOYSA-N 1 0 243.460 3.934 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cccc(O)c1 ZINC000459506508 203293321 /nfs/dbraw/zinc/29/33/21/203293321.db2.gz KVSYYOCGVNLXFF-LMWSTFAQSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cccc(O)c1 ZINC000459506510 203293140 /nfs/dbraw/zinc/29/31/40/203293140.db2.gz KVSYYOCGVNLXFF-XGNXJENSSA-N 1 0 247.382 3.868 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)C(F)(F)F ZINC000459508371 203292880 /nfs/dbraw/zinc/29/28/80/203292880.db2.gz WLTKAGIKWAKLRN-IDKOKCKLSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+]C1CC(C(C)(C)C)C1)C(F)(F)F ZINC000459508373 203293433 /nfs/dbraw/zinc/29/34/33/203293433.db2.gz WLTKAGIKWAKLRN-XNWIYYODSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CCCC1 ZINC000459510811 203293079 /nfs/dbraw/zinc/29/30/79/203293079.db2.gz LYTCCQFCMJSYFE-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CCCC1 ZINC000459510812 203293854 /nfs/dbraw/zinc/29/38/54/203293854.db2.gz LYTCCQFCMJSYFE-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C1CC2(C1)CC([NH2+][C@@H]1CCC13CCCC3)C2 ZINC000459511157 203294308 /nfs/dbraw/zinc/29/43/08/203294308.db2.gz PMMNYTNYQXACFJ-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC2(C1)CC([NH2+][C@H]1CCC13CCCC3)C2 ZINC000459511159 203293978 /nfs/dbraw/zinc/29/39/78/203293978.db2.gz PMMNYTNYQXACFJ-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000459512061 203293510 /nfs/dbraw/zinc/29/35/10/203293510.db2.gz NMKWQAHNPRXUGY-UNXYVOJBSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000459512063 203292726 /nfs/dbraw/zinc/29/27/26/203292726.db2.gz NMKWQAHNPRXUGY-VOMCLLRMSA-N 1 0 245.357 3.836 20 0 BHADRO C1CC12CCC([NH2+]C1CC3(CCC3)C1)CC2 ZINC000459512769 203292724 /nfs/dbraw/zinc/29/27/24/203292724.db2.gz RJKRPCYJMFTARE-UHFFFAOYSA-N 1 0 219.372 3.632 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000459513240 324147858 /nfs/dbraw/zinc/14/78/58/324147858.db2.gz RKHRPFVVTPLWGX-LLVKDONJSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000459513243 203294202 /nfs/dbraw/zinc/29/42/02/203294202.db2.gz RKHRPFVVTPLWGX-NSHDSACASA-N 1 0 249.320 3.886 20 0 BHADRO Cc1cc(C[NH2+]CC[C@@H](C)CC(C)(C)C)no1 ZINC000459514186 388245778 /nfs/dbraw/zinc/24/57/78/388245778.db2.gz SEPKANAVUAUQEB-LLVKDONJSA-N 1 0 238.375 3.535 20 0 BHADRO Cc1cc(C[NH2+]CC[C@H](C)CC(C)(C)C)no1 ZINC000459514192 388245634 /nfs/dbraw/zinc/24/56/34/388245634.db2.gz SEPKANAVUAUQEB-NSHDSACASA-N 1 0 238.375 3.535 20 0 BHADRO Fc1ccccc1CCC[NH2+]C1CC2(CCC2)C1 ZINC000459514456 388245956 /nfs/dbraw/zinc/24/59/56/388245956.db2.gz AEFSPWWLVPYAFE-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO FC1(F)CCC(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000459517512 203296529 /nfs/dbraw/zinc/29/65/29/203296529.db2.gz BRSCPIYHLQGNBQ-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459518408 203294985 /nfs/dbraw/zinc/29/49/85/203294985.db2.gz RGSHQQWMKFOYSP-BVUBDWEXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459518410 387956513 /nfs/dbraw/zinc/95/65/13/387956513.db2.gz RGSHQQWMKFOYSP-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459518413 387956196 /nfs/dbraw/zinc/95/61/96/387956196.db2.gz RGSHQQWMKFOYSP-OEAJRASXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459518421 387956691 /nfs/dbraw/zinc/95/66/91/387956691.db2.gz RGSHQQWMKFOYSP-TUUVXOQKSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)(C)C1CC([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000459532463 203294942 /nfs/dbraw/zinc/29/49/42/203294942.db2.gz FDVAJJFVPWYPIX-UHFFFAOYSA-N 1 0 249.320 3.743 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459538043 324148215 /nfs/dbraw/zinc/14/82/15/324148215.db2.gz UKJMYWYHDUZCFF-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459538045 324148174 /nfs/dbraw/zinc/14/81/74/324148174.db2.gz UKJMYWYHDUZCFF-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C2=CCCCC2)no1 ZINC000459542248 206133283 /nfs/dbraw/zinc/13/32/83/206133283.db2.gz XMHLEDBTDNTJDK-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459549712 203299136 /nfs/dbraw/zinc/29/91/36/203299136.db2.gz ZPXODOAPLJLLLT-SHTZXODSSA-N 1 0 241.378 3.855 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CC3(CCC3)C2)CCC1 ZINC000459550217 203296666 /nfs/dbraw/zinc/29/66/66/203296666.db2.gz PGXHJXCBOPYDQR-UHFFFAOYSA-N 1 0 247.304 3.641 20 0 BHADRO CC(C)SCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459554946 203301281 /nfs/dbraw/zinc/30/12/81/203301281.db2.gz DURKANAJIDJMKD-UHFFFAOYSA-N 1 0 229.433 3.542 20 0 BHADRO Cc1cc(F)c(C[NH2+]CCCCF)c(Cl)c1 ZINC000459559808 203301291 /nfs/dbraw/zinc/30/12/91/203301291.db2.gz PTZDINLZJBYTII-UHFFFAOYSA-N 1 0 247.716 3.627 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2CC(C(C)(C)C)C2)cn1 ZINC000459560010 203300513 /nfs/dbraw/zinc/30/05/13/203300513.db2.gz KBSYBHRLXDTYMY-UHFFFAOYSA-N 1 0 246.398 3.613 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCC2(F)CCC2)C1 ZINC000459560201 203300001 /nfs/dbraw/zinc/30/00/01/203300001.db2.gz LIXVWIQKDMZFOP-UHFFFAOYSA-N 1 0 227.367 3.683 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CC2(C1)CCCC2 ZINC000459561917 203300906 /nfs/dbraw/zinc/30/09/06/203300906.db2.gz NZBCRZLHMGAIKI-RMKNXTFCSA-N 1 0 227.351 3.576 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CC2(C1)CCCC2 ZINC000459561918 203301373 /nfs/dbraw/zinc/30/13/73/203301373.db2.gz NZBCRZLHMGAIKI-TWGQIWQCSA-N 1 0 227.351 3.576 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459563670 203300456 /nfs/dbraw/zinc/30/04/56/203300456.db2.gz RFMSBTUAYNMDNL-KKUMJFAQSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459563671 203299950 /nfs/dbraw/zinc/29/99/50/203299950.db2.gz RFMSBTUAYNMDNL-SOUVJXGZSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000459565128 203304659 /nfs/dbraw/zinc/30/46/59/203304659.db2.gz RQAMJAXTQNFPHQ-FXQLRMTLSA-N 1 0 247.357 3.587 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000459565130 203304359 /nfs/dbraw/zinc/30/43/59/203304359.db2.gz RQAMJAXTQNFPHQ-QRNKSROTSA-N 1 0 247.357 3.587 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000459565131 203304335 /nfs/dbraw/zinc/30/43/35/203304335.db2.gz RQAMJAXTQNFPHQ-QVOMUQBLSA-N 1 0 247.357 3.587 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000459565133 203303858 /nfs/dbraw/zinc/30/38/58/203303858.db2.gz RQAMJAXTQNFPHQ-WXLSXGNJSA-N 1 0 247.357 3.587 20 0 BHADRO CC(F)(F)CC[NH2+]CCc1cccc(Cl)c1 ZINC000459568628 387058371 /nfs/dbraw/zinc/05/83/71/387058371.db2.gz KWLSQKSLMQGNEG-UHFFFAOYSA-N 1 0 247.716 3.517 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459568999 203304058 /nfs/dbraw/zinc/30/40/58/203304058.db2.gz LKLBEIXMTFDEQB-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459569002 203304542 /nfs/dbraw/zinc/30/45/42/203304542.db2.gz LKLBEIXMTFDEQB-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459569144 203303017 /nfs/dbraw/zinc/30/30/17/203303017.db2.gz XVAATXUNESVTRH-CABCVRRESA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459569145 203303592 /nfs/dbraw/zinc/30/35/92/203303592.db2.gz XVAATXUNESVTRH-GJZGRUSLSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459569146 203304591 /nfs/dbraw/zinc/30/45/91/203304591.db2.gz XVAATXUNESVTRH-HUUCEWRRSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459569149 203303038 /nfs/dbraw/zinc/30/30/38/203303038.db2.gz XVAATXUNESVTRH-LSDHHAIUSA-N 1 0 233.330 3.544 20 0 BHADRO CC1(F)CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459571773 203304680 /nfs/dbraw/zinc/30/46/80/203304680.db2.gz PTARDJKARSHALH-UHFFFAOYSA-N 1 0 233.330 3.544 20 0 BHADRO CS[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459573233 387058678 /nfs/dbraw/zinc/05/86/78/387058678.db2.gz IGTISSSAEQEEDF-HNNXBMFYSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459573236 387058156 /nfs/dbraw/zinc/05/81/56/387058156.db2.gz IGTISSSAEQEEDF-OAHLLOKOSA-N 1 0 247.407 3.501 20 0 BHADRO CC1(F)CC([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459574866 203305345 /nfs/dbraw/zinc/30/53/45/203305345.db2.gz UKUXZFZNHKXSST-UHFFFAOYSA-N 1 0 247.357 3.587 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@@H]2CCCSC2)C1 ZINC000459575090 203305718 /nfs/dbraw/zinc/30/57/18/203305718.db2.gz YXAUWHDPXVRVSY-HIFPTAJRSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@H]2CCCSC2)C1 ZINC000459575091 203305563 /nfs/dbraw/zinc/30/55/63/203305563.db2.gz YXAUWHDPXVRVSY-PNESKVBLSA-N 1 0 241.444 3.544 20 0 BHADRO c1cc(C[NH+]2CC3(C2)CCCCC3)cs1 ZINC000459575362 203305291 /nfs/dbraw/zinc/30/52/91/203305291.db2.gz CJIPWSYFJVPBBG-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO CC1(C)Cc2ccsc2C[N@@H+]1CCCCF ZINC000459575851 324148669 /nfs/dbraw/zinc/14/86/69/324148669.db2.gz FKYOVVWBEQPPRN-UHFFFAOYSA-N 1 0 241.375 3.635 20 0 BHADRO c1cc(C2CC2)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000459577850 206135359 /nfs/dbraw/zinc/13/53/59/206135359.db2.gz MDJSOKDANGZDRG-INIZCTEOSA-N 1 0 227.351 3.548 20 0 BHADRO c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000459577853 206134689 /nfs/dbraw/zinc/13/46/89/206134689.db2.gz MDJSOKDANGZDRG-MRXNPFEDSA-N 1 0 227.351 3.548 20 0 BHADRO CC(F)(F)CCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459577952 206136047 /nfs/dbraw/zinc/13/60/47/206136047.db2.gz WVGCPVGMRXPHNI-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000459578246 206135694 /nfs/dbraw/zinc/13/56/94/206135694.db2.gz NCQRXSLCSIWQGI-UNXYVOJBSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)C1CC([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000459578250 206136495 /nfs/dbraw/zinc/13/64/95/206136495.db2.gz NCQRXSLCSIWQGI-VOMCLLRMSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459579714 206135555 /nfs/dbraw/zinc/13/55/55/206135555.db2.gz ADAHBCPYUYUOBL-GJZGRUSLSA-N 1 0 229.367 3.568 20 0 BHADRO CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459579771 206136227 /nfs/dbraw/zinc/13/62/27/206136227.db2.gz ZLXVCMGSGHDHJF-AWEZNQCLSA-N 1 0 215.340 3.624 20 0 BHADRO CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459579772 387065796 /nfs/dbraw/zinc/06/57/96/387065796.db2.gz ZLXVCMGSGHDHJF-CQSZACIVSA-N 1 0 215.340 3.624 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCC2CC(F)(F)C2)C1 ZINC000459582948 203306483 /nfs/dbraw/zinc/30/64/83/203306483.db2.gz GHBCIDQUQCCNBG-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO FCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583644 534429843 /nfs/dbraw/zinc/42/98/43/534429843.db2.gz STEBTAVZPJQSIH-HNNXBMFYSA-N 1 0 247.357 3.963 20 0 BHADRO FCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583645 534430097 /nfs/dbraw/zinc/43/00/97/534430097.db2.gz STEBTAVZPJQSIH-OAHLLOKOSA-N 1 0 247.357 3.963 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000459583850 203306264 /nfs/dbraw/zinc/30/62/64/203306264.db2.gz GMLCWODRKIZZIS-FYRZTWFESA-N 1 0 247.357 3.587 20 0 BHADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000459583851 203307527 /nfs/dbraw/zinc/30/75/27/203307527.db2.gz GMLCWODRKIZZIS-PWUWZPNHSA-N 1 0 247.357 3.587 20 0 BHADRO c1cc2cc(NC3CC4(CCC4)C3)ccc2c[nH+]1 ZINC000459585292 203306859 /nfs/dbraw/zinc/30/68/59/203306859.db2.gz KANJBBHAOXOTLW-UHFFFAOYSA-N 1 0 238.334 3.979 20 0 BHADRO FCC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459588468 203307907 /nfs/dbraw/zinc/30/79/07/203307907.db2.gz XPHCERFULOCCNC-UHFFFAOYSA-N 1 0 247.357 3.746 20 0 BHADRO C[C@H](F)CC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459588928 203310134 /nfs/dbraw/zinc/31/01/34/203310134.db2.gz WZHFURFOMLNJRH-JTQLQIEISA-N 1 0 241.375 3.633 20 0 BHADRO C[C@@H](F)CC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459588931 203309133 /nfs/dbraw/zinc/30/91/33/203309133.db2.gz WZHFURFOMLNJRH-SNVBAGLBSA-N 1 0 241.375 3.633 20 0 BHADRO c1csc(C[NH+]2CC3(C2)CCCCC3)c1 ZINC000459593075 203310808 /nfs/dbraw/zinc/31/08/08/203310808.db2.gz IOGJJAZFNDORGQ-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459594219 203309905 /nfs/dbraw/zinc/30/99/05/203309905.db2.gz RLXOCUMJLXXRSI-CABCVRRESA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459594224 203309467 /nfs/dbraw/zinc/30/94/67/203309467.db2.gz RLXOCUMJLXXRSI-LSDHHAIUSA-N 1 0 233.330 3.544 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459595867 203311458 /nfs/dbraw/zinc/31/14/58/203311458.db2.gz UBTGZNZCXCKXMN-HOCLYGCPSA-N 1 0 241.378 3.712 20 0 BHADRO Cc1cc(F)c(C[NH2+]CC[C@@H](C)F)c(Cl)c1 ZINC000459597144 203311318 /nfs/dbraw/zinc/31/13/18/203311318.db2.gz VFOUTDGSBBSSIN-SECBINFHSA-N 1 0 247.716 3.625 20 0 BHADRO Cc1cc(F)c(C[NH2+]CC[C@H](C)F)c(Cl)c1 ZINC000459597145 203312728 /nfs/dbraw/zinc/31/27/28/203312728.db2.gz VFOUTDGSBBSSIN-VIFPVBQESA-N 1 0 247.716 3.625 20 0 BHADRO CSC1(C[NH+]2CC3(C2)CCCCC3)CCC1 ZINC000459598067 203310980 /nfs/dbraw/zinc/31/09/80/203310980.db2.gz QXUNOHMYKNMXNO-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C1CC2(CCC2)C1 ZINC000459602407 203315071 /nfs/dbraw/zinc/31/50/71/203315071.db2.gz ZLTLSRARYHAUIL-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C1CC2(CCC2)C1 ZINC000459602408 203313550 /nfs/dbraw/zinc/31/35/50/203313550.db2.gz ZLTLSRARYHAUIL-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459604702 203314674 /nfs/dbraw/zinc/31/46/74/203314674.db2.gz CJQSGCNUACEURY-DZGCQCFKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459604703 203314291 /nfs/dbraw/zinc/31/42/91/203314291.db2.gz CJQSGCNUACEURY-HIFRSBDPSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459604704 203315098 /nfs/dbraw/zinc/31/50/98/203315098.db2.gz CJQSGCNUACEURY-UKRRQHHQSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459604705 203314236 /nfs/dbraw/zinc/31/42/36/203314236.db2.gz CJQSGCNUACEURY-ZFWWWQNUSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000459619440 203319403 /nfs/dbraw/zinc/31/94/03/203319403.db2.gz UNLFKFHETJJLKU-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@H]1CCCCO1 ZINC000459619443 203318152 /nfs/dbraw/zinc/31/81/52/203318152.db2.gz UNLFKFHETJJLKU-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000459619446 203320048 /nfs/dbraw/zinc/32/00/48/203320048.db2.gz UNLFKFHETJJLKU-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@H]1CCCCO1 ZINC000459619449 387128629 /nfs/dbraw/zinc/12/86/29/387128629.db2.gz UNLFKFHETJJLKU-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCc1ccncc1 ZINC000459619684 203318424 /nfs/dbraw/zinc/31/84/24/203318424.db2.gz UVLAJUSWJKKELR-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCc1ccncc1 ZINC000459619685 203319156 /nfs/dbraw/zinc/31/91/56/203319156.db2.gz UVLAJUSWJKKELR-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCc1ccncc1 ZINC000459619686 387133066 /nfs/dbraw/zinc/13/30/66/387133066.db2.gz UVLAJUSWJKKELR-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCc1ccncc1 ZINC000459619687 387133275 /nfs/dbraw/zinc/13/32/75/387133275.db2.gz UVLAJUSWJKKELR-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(C2CC2)o1 ZINC000459621493 203318452 /nfs/dbraw/zinc/31/84/52/203318452.db2.gz WUYFDEWMXWDACG-ABAIWWIYSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(C2CC2)o1 ZINC000459621496 387135513 /nfs/dbraw/zinc/13/55/13/387135513.db2.gz WUYFDEWMXWDACG-IAQYHMDHSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(C2CC2)o1 ZINC000459621500 387134899 /nfs/dbraw/zinc/13/48/99/387134899.db2.gz WUYFDEWMXWDACG-NHYWBVRUSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(C2CC2)o1 ZINC000459621503 387135461 /nfs/dbraw/zinc/13/54/61/387135461.db2.gz WUYFDEWMXWDACG-XHDPSFHLSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cncc(F)c1 ZINC000459624343 203322452 /nfs/dbraw/zinc/32/24/52/203322452.db2.gz GNPXUYPGHJBIAM-SWLSCSKDSA-N 1 0 248.345 3.760 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cncc(F)c1 ZINC000459624344 203321373 /nfs/dbraw/zinc/32/13/73/203321373.db2.gz GNPXUYPGHJBIAM-WFASDCNBSA-N 1 0 248.345 3.760 20 0 BHADRO CCC1(C)C[NH+](Cc2ccc(SC)s2)C1 ZINC000459627070 203320891 /nfs/dbraw/zinc/32/08/91/203320891.db2.gz AVUDAFGPQIFDTJ-UHFFFAOYSA-N 1 0 241.425 3.702 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459628518 203323949 /nfs/dbraw/zinc/32/39/49/203323949.db2.gz MPWZYKIBMBVWRN-NEPJUHHUSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459628519 203325078 /nfs/dbraw/zinc/32/50/78/203325078.db2.gz MPWZYKIBMBVWRN-RYUDHWBXSA-N 1 0 238.350 3.554 20 0 BHADRO CCC1(C)C[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459629828 387142848 /nfs/dbraw/zinc/14/28/48/387142848.db2.gz FIMYXDODWQQXIZ-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO Cc1ccsc1C[NH+]1CC(C(C)(C)C)C1 ZINC000459632124 203323406 /nfs/dbraw/zinc/32/34/06/203323406.db2.gz DSJIIUQMFHTFFC-UHFFFAOYSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[NH+]1CC(C(C)(C)C)C1 ZINC000459632397 203323742 /nfs/dbraw/zinc/32/37/42/203323742.db2.gz CSAHCCDRCOAALT-UHFFFAOYSA-N 1 0 223.385 3.534 20 0 BHADRO CC(C)(C)CC[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000459632772 203317803 /nfs/dbraw/zinc/31/78/03/203317803.db2.gz FHLCJBIQHMILNQ-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000459637172 203325676 /nfs/dbraw/zinc/32/56/76/203325676.db2.gz LEROWHYIAACBMW-FOSCPCJNSA-N 1 0 246.398 3.739 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000459637174 203326221 /nfs/dbraw/zinc/32/62/21/203326221.db2.gz LEROWHYIAACBMW-MBVDDHJVSA-N 1 0 246.398 3.739 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459637177 203325771 /nfs/dbraw/zinc/32/57/71/203325771.db2.gz LEROWHYIAACBMW-RGDDUWESSA-N 1 0 246.398 3.739 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459637180 203325938 /nfs/dbraw/zinc/32/59/38/203325938.db2.gz LEROWHYIAACBMW-XVWMLYKFSA-N 1 0 246.398 3.739 20 0 BHADRO CC1(CC(F)(F)F)C[NH+](CC2CCCCC2)C1 ZINC000459637263 203325332 /nfs/dbraw/zinc/32/53/32/203325332.db2.gz LLIJTLAAPXEMRP-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO CC(C)(C)C1C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000459639267 203326239 /nfs/dbraw/zinc/32/62/39/203326239.db2.gz JZXZTDPAPIZPTB-UHFFFAOYSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)C1 ZINC000459641856 200839406 /nfs/dbraw/zinc/83/94/06/200839406.db2.gz BDBVRURMLHVBBZ-CYBMUJFWSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)C1 ZINC000459641859 200839116 /nfs/dbraw/zinc/83/91/16/200839116.db2.gz BDBVRURMLHVBBZ-ZDUSSCGKSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459642945 203329371 /nfs/dbraw/zinc/32/93/71/203329371.db2.gz CFOPOKPOCSTJAX-FZMZJTMJSA-N 1 0 238.350 3.840 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459642947 203329467 /nfs/dbraw/zinc/32/94/67/203329467.db2.gz CFOPOKPOCSTJAX-SMDDNHRTSA-N 1 0 238.350 3.840 20 0 BHADRO CC1(CC(F)(F)F)C[NH+](C[C@@H]2CC=CCC2)C1 ZINC000459643195 203329608 /nfs/dbraw/zinc/32/96/08/203329608.db2.gz UTXODKSCGFXGAQ-LLVKDONJSA-N 1 0 247.304 3.617 20 0 BHADRO CC1(CC(F)(F)F)C[NH+](C[C@H]2CC=CCC2)C1 ZINC000459643197 203328504 /nfs/dbraw/zinc/32/85/04/203328504.db2.gz UTXODKSCGFXGAQ-NSHDSACASA-N 1 0 247.304 3.617 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCCc1cccnc1 ZINC000459645454 203329542 /nfs/dbraw/zinc/32/95/42/203329542.db2.gz GSGIWOIZPZTLHB-BMFZPTHFSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCCc1cccnc1 ZINC000459645455 203329346 /nfs/dbraw/zinc/32/93/46/203329346.db2.gz GSGIWOIZPZTLHB-FVQBIDKESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459645456 203327837 /nfs/dbraw/zinc/32/78/37/203327837.db2.gz GSGIWOIZPZTLHB-IMJJTQAJSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459645457 203329584 /nfs/dbraw/zinc/32/95/84/203329584.db2.gz GSGIWOIZPZTLHB-NUEKZKHPSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459649594 203328964 /nfs/dbraw/zinc/32/89/64/203328964.db2.gz MFTDANPRHGFZQN-NSHDSACASA-N 1 0 238.350 3.840 20 0 BHADRO CC(C)(C)C1C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000459649834 203327803 /nfs/dbraw/zinc/32/78/03/203327803.db2.gz WFZXSGZCPMHSDN-UHFFFAOYSA-N 1 0 242.366 3.646 20 0 BHADRO CCC1CC([NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000459652364 203331849 /nfs/dbraw/zinc/33/18/49/203331849.db2.gz QKIWZTYMMPZDDO-HLIUYOAVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CC([NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000459652365 203331677 /nfs/dbraw/zinc/33/16/77/203331677.db2.gz QKIWZTYMMPZDDO-VQCLRJIVSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459652874 203329958 /nfs/dbraw/zinc/32/99/58/203329958.db2.gz RAFYJZLHDLKVBL-CABCVRRESA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459652875 203330212 /nfs/dbraw/zinc/33/02/12/203330212.db2.gz RAFYJZLHDLKVBL-GJZGRUSLSA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459652876 203330954 /nfs/dbraw/zinc/33/09/54/203330954.db2.gz RAFYJZLHDLKVBL-HUUCEWRRSA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459652877 203330950 /nfs/dbraw/zinc/33/09/50/203330950.db2.gz RAFYJZLHDLKVBL-LSDHHAIUSA-N 1 0 248.414 3.961 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]Cc1ccsc1 ZINC000459653058 203330050 /nfs/dbraw/zinc/33/00/50/203330050.db2.gz BEJJGFWSABNPMM-GXTWGEPZSA-N 1 0 247.338 3.533 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)CCC(F)(F)F ZINC000459653958 203330681 /nfs/dbraw/zinc/33/06/81/203330681.db2.gz DIUJRUHPXWLGBX-GMTAPVOTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)CCC(F)(F)F ZINC000459653959 203331022 /nfs/dbraw/zinc/33/10/22/203331022.db2.gz DIUJRUHPXWLGBX-HBNTYKKESA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000459654953 203331551 /nfs/dbraw/zinc/33/15/51/203331551.db2.gz HMYFCFPDBKRJBD-IACUBPJLSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000459654954 203331544 /nfs/dbraw/zinc/33/15/44/203331544.db2.gz HMYFCFPDBKRJBD-MRVWCRGKSA-N 1 0 241.444 3.542 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459655298 203330667 /nfs/dbraw/zinc/33/06/67/203330667.db2.gz UUQCSCMCSFXHNF-CABCVRRESA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459655299 203330370 /nfs/dbraw/zinc/33/03/70/203330370.db2.gz UUQCSCMCSFXHNF-GJZGRUSLSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459655301 203330869 /nfs/dbraw/zinc/33/08/69/203330869.db2.gz UUQCSCMCSFXHNF-HUUCEWRRSA-N 1 0 248.414 3.819 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459655303 203331132 /nfs/dbraw/zinc/33/11/32/203331132.db2.gz UUQCSCMCSFXHNF-LSDHHAIUSA-N 1 0 248.414 3.819 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CCCC2)nc1C ZINC000459656520 203330019 /nfs/dbraw/zinc/33/00/19/203330019.db2.gz BBROWHOUCNXPCT-CYBMUJFWSA-N 1 0 246.398 3.757 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC2CCCC2)nc1C ZINC000459656521 203331696 /nfs/dbraw/zinc/33/16/96/203331696.db2.gz BBROWHOUCNXPCT-ZDUSSCGKSA-N 1 0 246.398 3.757 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]Cc1cccs1 ZINC000459657151 203330117 /nfs/dbraw/zinc/33/01/17/203330117.db2.gz NFTWEBBYCGKUEJ-GXTWGEPZSA-N 1 0 247.338 3.533 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000459657676 203331441 /nfs/dbraw/zinc/33/14/41/203331441.db2.gz OIPRFSMWNIQZLY-DUVNUKRYSA-N 1 0 245.341 3.628 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000459657677 203330852 /nfs/dbraw/zinc/33/08/52/203330852.db2.gz OIPRFSMWNIQZLY-IVMMDQJWSA-N 1 0 245.341 3.628 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459658624 203331422 /nfs/dbraw/zinc/33/14/22/203331422.db2.gz CKNIUIGXQHNCIA-AWEZNQCLSA-N 1 0 246.398 3.923 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459658626 203330554 /nfs/dbraw/zinc/33/05/54/203330554.db2.gz CKNIUIGXQHNCIA-CQSZACIVSA-N 1 0 246.398 3.923 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459661050 203330574 /nfs/dbraw/zinc/33/05/74/203330574.db2.gz WRZBRZDZTOWZPO-POOIEITISA-N 1 0 245.357 3.835 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CCCCC1 ZINC000459661514 203333004 /nfs/dbraw/zinc/33/30/04/203333004.db2.gz XVFFINBOHZVXLD-DZGCQCFKSA-N 1 0 233.330 3.604 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)nc1C ZINC000459661981 203332142 /nfs/dbraw/zinc/33/21/42/203332142.db2.gz GKMOEPOIDQVDLS-UHFFFAOYSA-N 1 0 246.398 3.613 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459666842 203333678 /nfs/dbraw/zinc/33/36/78/203333678.db2.gz AKBBPSAWCSGHBJ-DNDYEEKYSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459666843 203332534 /nfs/dbraw/zinc/33/25/34/203332534.db2.gz AKBBPSAWCSGHBJ-HESLUPGFSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459666844 203332438 /nfs/dbraw/zinc/33/24/38/203332438.db2.gz AKBBPSAWCSGHBJ-LMRVLLHPSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CCC(OC)CC1 ZINC000459666845 203333349 /nfs/dbraw/zinc/33/33/49/203333349.db2.gz AKBBPSAWCSGHBJ-ZUJMUWTESA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)nc1C ZINC000459671081 203332113 /nfs/dbraw/zinc/33/21/13/203332113.db2.gz PDBWVRYUKNISDA-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO COC1CCC([NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000459671094 203332616 /nfs/dbraw/zinc/33/26/16/203332616.db2.gz FVSKTQDHLKVMOE-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO COC1CCC([NH2+][C@H](C)CC2CCCC2)CC1 ZINC000459671095 203331997 /nfs/dbraw/zinc/33/19/97/203331997.db2.gz FVSKTQDHLKVMOE-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459672956 203332481 /nfs/dbraw/zinc/33/24/81/203332481.db2.gz HHHJARMNLIFVPL-HSBZDZAISA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459672957 203333851 /nfs/dbraw/zinc/33/38/51/203333851.db2.gz HHHJARMNLIFVPL-IYXRBSQSSA-N 1 0 227.392 3.502 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)o1 ZINC000459673213 203333702 /nfs/dbraw/zinc/33/37/02/203333702.db2.gz JFDVMQZNGHNYEM-NEPJUHHUSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)o1 ZINC000459673214 203333938 /nfs/dbraw/zinc/33/39/38/203333938.db2.gz JFDVMQZNGHNYEM-NWDGAFQWSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)o1 ZINC000459673215 203333824 /nfs/dbraw/zinc/33/38/24/203333824.db2.gz JFDVMQZNGHNYEM-RYUDHWBXSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)C[C@H](C)CC(C)C)o1 ZINC000459673216 203333561 /nfs/dbraw/zinc/33/35/61/203333561.db2.gz JFDVMQZNGHNYEM-VXGBXAGGSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)nc1C ZINC000459674068 203332661 /nfs/dbraw/zinc/33/26/61/203332661.db2.gz RRLRJUTUZSZDIW-CVEARBPZSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(C)C)nc1C ZINC000459674069 203335066 /nfs/dbraw/zinc/33/50/66/203335066.db2.gz RRLRJUTUZSZDIW-HOTGVXAUSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)nc1C ZINC000459674071 203335253 /nfs/dbraw/zinc/33/52/53/203335253.db2.gz RRLRJUTUZSZDIW-HZPDHXFCSA-N 1 0 246.398 3.613 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)nc1C ZINC000459674073 203335202 /nfs/dbraw/zinc/33/52/02/203335202.db2.gz RRLRJUTUZSZDIW-JKSUJKDBSA-N 1 0 246.398 3.613 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]Cc1cnc(C)o1 ZINC000459674329 487788649 /nfs/dbraw/zinc/78/86/49/487788649.db2.gz KXYZZGYZOOVNPX-CYBMUJFWSA-N 1 0 238.375 3.679 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]Cc1cnc(C)o1 ZINC000459674331 487788361 /nfs/dbraw/zinc/78/83/61/487788361.db2.gz KXYZZGYZOOVNPX-ZDUSSCGKSA-N 1 0 238.375 3.679 20 0 BHADRO CCCC(CCC)[NH2+]C1CCC(OC)CC1 ZINC000459674933 203335320 /nfs/dbraw/zinc/33/53/20/203335320.db2.gz IYFRRSPIHUHCCK-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO C[N@H+](CCCF)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459680954 203335195 /nfs/dbraw/zinc/33/51/95/203335195.db2.gz WTIDCMBEPDSAJN-CABCVRRESA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCCF)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459680956 203334997 /nfs/dbraw/zinc/33/49/97/203334997.db2.gz WTIDCMBEPDSAJN-GJZGRUSLSA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCCF)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459680957 203335758 /nfs/dbraw/zinc/33/57/58/203335758.db2.gz WTIDCMBEPDSAJN-HUUCEWRRSA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCCF)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459680958 203334918 /nfs/dbraw/zinc/33/49/18/203334918.db2.gz WTIDCMBEPDSAJN-LSDHHAIUSA-N 1 0 235.346 3.614 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459704731 488146374 /nfs/dbraw/zinc/14/63/74/488146374.db2.gz FYUGRHSLLBRWKQ-FIYWTHMPSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459704732 487790056 /nfs/dbraw/zinc/79/00/56/487790056.db2.gz FYUGRHSLLBRWKQ-IFWUJCSASA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459704733 487790066 /nfs/dbraw/zinc/79/00/66/487790066.db2.gz FYUGRHSLLBRWKQ-TUUUFIMRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459704734 487790089 /nfs/dbraw/zinc/79/00/89/487790089.db2.gz FYUGRHSLLBRWKQ-TYUFSLCMSA-N 1 0 245.357 3.835 20 0 BHADRO CC1(C)CC([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459704788 206138059 /nfs/dbraw/zinc/13/80/59/206138059.db2.gz GGLGQVNVTWNSPX-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000459712632 203340807 /nfs/dbraw/zinc/34/08/07/203340807.db2.gz NLACINQCMZAOJW-UNXYVOJBSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000459712633 203339250 /nfs/dbraw/zinc/33/92/50/203339250.db2.gz NLACINQCMZAOJW-VOMCLLRMSA-N 1 0 233.346 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CC1(C)C ZINC000459715711 203340748 /nfs/dbraw/zinc/34/07/48/203340748.db2.gz QRMLDPZCWYKUDE-HBIQZDMRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CC1(C)C ZINC000459715712 203340745 /nfs/dbraw/zinc/34/07/45/203340745.db2.gz QRMLDPZCWYKUDE-WNYYMSAVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CC1(C)C ZINC000459715713 203340097 /nfs/dbraw/zinc/34/00/97/203340097.db2.gz QRMLDPZCWYKUDE-XKGSQUFQSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CC1(C)C ZINC000459715714 203340072 /nfs/dbraw/zinc/34/00/72/203340072.db2.gz QRMLDPZCWYKUDE-YYJSSNLHSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459717710 203339231 /nfs/dbraw/zinc/33/92/31/203339231.db2.gz UHCNJTMXSCGEOO-HBIQZDMRSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459717711 203339947 /nfs/dbraw/zinc/33/99/47/203339947.db2.gz UHCNJTMXSCGEOO-WNYYMSAVSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459717712 203340456 /nfs/dbraw/zinc/34/04/56/203340456.db2.gz UHCNJTMXSCGEOO-XKGSQUFQSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000459717713 203339579 /nfs/dbraw/zinc/33/95/79/203339579.db2.gz UHCNJTMXSCGEOO-YYJSSNLHSA-N 1 0 231.330 3.589 20 0 BHADRO CCC1CC([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459718470 203343291 /nfs/dbraw/zinc/34/32/91/203343291.db2.gz VAXMWIQLFURKLO-UHFFFAOYSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000459720148 203343030 /nfs/dbraw/zinc/34/30/30/203343030.db2.gz XAOOACDMGBXKHE-UNXYVOJBSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000459720150 203341316 /nfs/dbraw/zinc/34/13/16/203341316.db2.gz XAOOACDMGBXKHE-VOMCLLRMSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc(C[NH2+]C2CCC(C(F)F)CC2)o1 ZINC000459722153 203341670 /nfs/dbraw/zinc/34/16/70/203341670.db2.gz ZLIFMGUUBMVVTH-UHFFFAOYSA-N 1 0 243.297 3.502 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000459725547 203341457 /nfs/dbraw/zinc/34/14/57/203341457.db2.gz CWQAGCBLOJERBV-DZGCQCFKSA-N 1 0 245.341 3.604 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)C1CC(C)(C)C1 ZINC000459727059 203343360 /nfs/dbraw/zinc/34/33/60/203343360.db2.gz HCGWEKMUXBRAEI-UHFFFAOYSA-N 1 0 227.735 3.553 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1Cc2cccc(F)c2C1 ZINC000459727403 203341462 /nfs/dbraw/zinc/34/14/62/203341462.db2.gz DYJIUEDUVIRXSW-LLVKDONJSA-N 1 0 221.319 3.576 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1Cc2cccc(F)c2C1 ZINC000459727404 203342505 /nfs/dbraw/zinc/34/25/05/203342505.db2.gz DYJIUEDUVIRXSW-NSHDSACASA-N 1 0 221.319 3.576 20 0 BHADRO C[N@H+](Cc1cccc2cc[nH]c21)C1CC(C)(C)C1 ZINC000459728510 203345419 /nfs/dbraw/zinc/34/54/19/203345419.db2.gz IEBCBCJTTFLYPA-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO COc1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459729454 203343747 /nfs/dbraw/zinc/34/37/47/203343747.db2.gz ASSDQULHTJCNFJ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CCC3)CCC2)cs1 ZINC000459729556 203343741 /nfs/dbraw/zinc/34/37/41/203343741.db2.gz AXPFALWVWRDYCD-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1ccsc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459734343 203346416 /nfs/dbraw/zinc/34/64/16/203346416.db2.gz FMGPLMYTDFKTNV-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO c1cc(C[NH2+]C2(C3CCC3)CCC2)cs1 ZINC000459736726 203346118 /nfs/dbraw/zinc/34/61/18/203346118.db2.gz HGQRBEACWYUINP-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO Cc1sccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459736749 203347196 /nfs/dbraw/zinc/34/71/96/203347196.db2.gz HJGCOELFTNZSOC-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@@H]2C)ccc1C[NH+](C)C ZINC000459739122 203350047 /nfs/dbraw/zinc/35/00/47/203350047.db2.gz ASMVKBQXOOGTCS-BLLLJJGKSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@H]2CCC[C@@H]2C)ccc1C[NH+](C)C ZINC000459739124 203349210 /nfs/dbraw/zinc/34/92/10/203349210.db2.gz ASMVKBQXOOGTCS-LRDDRELGSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@H]2C)ccc1C[NH+](C)C ZINC000459739125 203349774 /nfs/dbraw/zinc/34/97/74/203349774.db2.gz ASMVKBQXOOGTCS-MLGOLLRUSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@H]2CCC[C@H]2C)ccc1C[NH+](C)C ZINC000459739126 203350041 /nfs/dbraw/zinc/35/00/41/203350041.db2.gz ASMVKBQXOOGTCS-WBMJQRKESA-N 1 0 246.398 3.657 20 0 BHADRO Fc1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459739231 203349199 /nfs/dbraw/zinc/34/91/99/203349199.db2.gz IVHBGCIPVQQPHF-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO Fc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459739388 203349077 /nfs/dbraw/zinc/34/90/77/203349077.db2.gz IXJRDLIBQOQKBP-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO COc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459740119 203349083 /nfs/dbraw/zinc/34/90/83/203349083.db2.gz JHYUGFVSLKAOND-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)C1CC(C)(C)C1 ZINC000459740280 203348781 /nfs/dbraw/zinc/34/87/81/203348781.db2.gz UBCAQUSRAJZGJY-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@]1([NH2+]Cc2csc(C3CC3)n2)CC=CCC1 ZINC000459741990 203349173 /nfs/dbraw/zinc/34/91/73/203349173.db2.gz BFHVTIJLVKHLDE-AWEZNQCLSA-N 1 0 248.395 3.609 20 0 BHADRO C[C@@]1([NH2+]Cc2csc(C3CC3)n2)CC=CCC1 ZINC000459741994 203350184 /nfs/dbraw/zinc/35/01/84/203350184.db2.gz BFHVTIJLVKHLDE-CQSZACIVSA-N 1 0 248.395 3.609 20 0 BHADRO Cc1cc(N[C@@H]2C[C@@H](C)[C@H]2C)ccc1C[NH+](C)C ZINC000459742088 203348827 /nfs/dbraw/zinc/34/88/27/203348827.db2.gz CNESWYVPUFVSTA-AXAPSJFSSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(N[C@@H]2C[C@H](C)[C@@H]2C)ccc1C[NH+](C)C ZINC000459742103 203348843 /nfs/dbraw/zinc/34/88/43/203348843.db2.gz CNESWYVPUFVSTA-DETPVDSQSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(N[C@@H]2C[C@H](C)[C@H]2C)ccc1C[NH+](C)C ZINC000459742107 203349737 /nfs/dbraw/zinc/34/97/37/203349737.db2.gz CNESWYVPUFVSTA-NORZTCDRSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(N[C@@H]2C[C@@H](C)[C@@H]2C)ccc1C[NH+](C)C ZINC000459742111 203349655 /nfs/dbraw/zinc/34/96/55/203349655.db2.gz CNESWYVPUFVSTA-PVXIVEMSSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(N[C@H](C)CC2CC2)ccc1C[NH+](C)C ZINC000459742850 203352310 /nfs/dbraw/zinc/35/23/10/203352310.db2.gz DAKSEXPVNMBMKW-CYBMUJFWSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@@H](C)CC2CC2)ccc1C[NH+](C)C ZINC000459742853 203351927 /nfs/dbraw/zinc/35/19/27/203351927.db2.gz DAKSEXPVNMBMKW-ZDUSSCGKSA-N 1 0 246.398 3.657 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@]1(C)CC=CCC1 ZINC000459742863 203352315 /nfs/dbraw/zinc/35/23/15/203352315.db2.gz BZPKKUJTTSBTFD-INIZCTEOSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@]1(C)CC=CCC1 ZINC000459742870 203351459 /nfs/dbraw/zinc/35/14/59/203351459.db2.gz BZPKKUJTTSBTFD-MRXNPFEDSA-N 1 0 245.366 3.592 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000459743352 203351794 /nfs/dbraw/zinc/35/17/94/203351794.db2.gz DDSPTNYUWIMUTG-OYNZBZHQSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000459743353 203351404 /nfs/dbraw/zinc/35/14/04/203351404.db2.gz DDSPTNYUWIMUTG-RUAUBTSSSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000459743354 203350589 /nfs/dbraw/zinc/35/05/89/203350589.db2.gz DDSPTNYUWIMUTG-XABYNWHXSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000459743355 203351768 /nfs/dbraw/zinc/35/17/68/203351768.db2.gz DDSPTNYUWIMUTG-YOENINGUSA-N 1 0 247.357 3.707 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)C1CC(C)(C)C1 ZINC000459743442 203352333 /nfs/dbraw/zinc/35/23/33/203352333.db2.gz CMHSGQHIIBNKEP-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(=O)c1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1 ZINC000459743631 203351759 /nfs/dbraw/zinc/35/17/59/203351759.db2.gz CZAUVSJOSMVGNL-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO COc1cccc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459744018 203350701 /nfs/dbraw/zinc/35/07/01/203350701.db2.gz LRYUFRGKNRTSRQ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[N@H+](C[C@H]1CCC(F)(F)C1)C1CC(C)(C)C1 ZINC000459744311 203351049 /nfs/dbraw/zinc/35/10/49/203351049.db2.gz DQUJPZZTJIQILN-JTQLQIEISA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC(C)(C)C1 ZINC000459744312 203350594 /nfs/dbraw/zinc/35/05/94/203350594.db2.gz DQUJPZZTJIQILN-SNVBAGLBSA-N 1 0 231.330 3.542 20 0 BHADRO C1=CC[C@@H](C[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459744862 203351806 /nfs/dbraw/zinc/35/18/06/203351806.db2.gz MLBPHEBCRYKYCY-CYBMUJFWSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](C[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459744863 203351949 /nfs/dbraw/zinc/35/19/49/203351949.db2.gz MLBPHEBCRYKYCY-ZDUSSCGKSA-N 1 0 219.372 3.655 20 0 BHADRO CCC1CC(Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000459745643 203351454 /nfs/dbraw/zinc/35/14/54/203351454.db2.gz FBUZAWQSAOZIBN-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)s1 ZINC000459748137 203353885 /nfs/dbraw/zinc/35/38/85/203353885.db2.gz GLIMAGXYBQNLKU-KWCYVHTRSA-N 1 0 235.396 3.643 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)s1 ZINC000459748138 203354395 /nfs/dbraw/zinc/35/43/95/203354395.db2.gz GLIMAGXYBQNLKU-XBFCOCLRSA-N 1 0 235.396 3.643 20 0 BHADRO Cc1cc(NCC(C)(C)C)ccc1C[NH+](C)C ZINC000459748414 203353941 /nfs/dbraw/zinc/35/39/41/203353941.db2.gz WVGFMPKBJDJUJU-UHFFFAOYSA-N 1 0 234.387 3.515 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C1CC(C)(C)C1 ZINC000459748528 203354738 /nfs/dbraw/zinc/35/47/38/203354738.db2.gz XLIWTIWLWOGTQN-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO c1csc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459749477 203353818 /nfs/dbraw/zinc/35/38/18/203353818.db2.gz PGKRUJXZHVKEKX-UHFFFAOYSA-N 1 0 221.369 3.561 20 0 BHADRO C[C@]1([NH2+]Cc2scnc2C2CC2)CC=CCC1 ZINC000459749782 487793400 /nfs/dbraw/zinc/79/34/00/487793400.db2.gz IUPOQVKTSOQLPN-AWEZNQCLSA-N 1 0 248.395 3.609 20 0 BHADRO C[C@@]1([NH2+]Cc2scnc2C2CC2)CC=CCC1 ZINC000459749785 487792911 /nfs/dbraw/zinc/79/29/11/487792911.db2.gz IUPOQVKTSOQLPN-CQSZACIVSA-N 1 0 248.395 3.609 20 0 BHADRO CC[C@@H](C)CNc1ccc(C[NH+](C)C)c(C)c1 ZINC000459749966 203354682 /nfs/dbraw/zinc/35/46/82/203354682.db2.gz HCZHOTLCDIMXAV-GFCCVEGCSA-N 1 0 234.387 3.515 20 0 BHADRO CC[C@H](C)CNc1ccc(C[NH+](C)C)c(C)c1 ZINC000459749967 203354239 /nfs/dbraw/zinc/35/42/39/203354239.db2.gz HCZHOTLCDIMXAV-LBPRGKRZSA-N 1 0 234.387 3.515 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C\c1ccncc1)C1CCC1 ZINC000459751621 203356060 /nfs/dbraw/zinc/35/60/60/203356060.db2.gz KLALJPLUYWBBTN-DQOPKJQZSA-N 1 0 244.382 3.653 20 0 BHADRO CCC[C@H]([NH2+]C/C=C\c1ccncc1)C1CCC1 ZINC000459751624 203356672 /nfs/dbraw/zinc/35/66/72/203356672.db2.gz KLALJPLUYWBBTN-LEXSJLIMSA-N 1 0 244.382 3.653 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C/c1ccncc1)C1CCC1 ZINC000459751626 203356498 /nfs/dbraw/zinc/35/64/98/203356498.db2.gz KLALJPLUYWBBTN-MQDFFIGUSA-N 1 0 244.382 3.653 20 0 BHADRO CCC[C@H]([NH2+]C/C=C/c1ccncc1)C1CCC1 ZINC000459751631 387284391 /nfs/dbraw/zinc/28/43/91/387284391.db2.gz KLALJPLUYWBBTN-NBUZRDOWSA-N 1 0 244.382 3.653 20 0 BHADRO c1ccc(CC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459751740 203357283 /nfs/dbraw/zinc/35/72/83/203357283.db2.gz QJAQLPVMILATDO-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]C2(C3CCC3)CCC2)C1 ZINC000459752114 200840059 /nfs/dbraw/zinc/84/00/59/200840059.db2.gz JIIWEXIBNWPXJO-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2(C3CCC3)CCC2)C1 ZINC000459752118 387283046 /nfs/dbraw/zinc/28/30/46/387283046.db2.gz JIIWEXIBNWPXJO-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459752181 200840091 /nfs/dbraw/zinc/84/00/91/200840091.db2.gz IHILNYGZCOLMQP-LSBUWSJDSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459752183 387284189 /nfs/dbraw/zinc/28/41/89/387284189.db2.gz IHILNYGZCOLMQP-ZWMSFMBMSA-N 1 0 243.341 3.589 20 0 BHADRO c1cc2cccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2o1 ZINC000459752442 203356362 /nfs/dbraw/zinc/35/63/62/203356362.db2.gz INMWXFOVEOKKJB-SNPRPXQTSA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2o1 ZINC000459752447 203356876 /nfs/dbraw/zinc/35/68/76/203356876.db2.gz INMWXFOVEOKKJB-VHDGCEQUSA-N 1 0 241.334 3.711 20 0 BHADRO Cc1cc(N[C@H](C)C(C)C)ccc1C[NH+](C)C ZINC000459753215 203356724 /nfs/dbraw/zinc/35/67/24/203356724.db2.gz IVYYZUGDJCZISF-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1cc(N[C@@H](C)C(C)C)ccc1C[NH+](C)C ZINC000459753217 203355735 /nfs/dbraw/zinc/35/57/35/203355735.db2.gz IVYYZUGDJCZISF-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO COc1cc(C[NH2+][C@@]2(C)CC=CCC2)ccc1C ZINC000459753307 203356584 /nfs/dbraw/zinc/35/65/84/203356584.db2.gz LYEKDTHDEWLNCA-INIZCTEOSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cc(C[NH2+][C@]2(C)CC=CCC2)ccc1C ZINC000459753311 203356367 /nfs/dbraw/zinc/35/63/67/203356367.db2.gz LYEKDTHDEWLNCA-MRXNPFEDSA-N 1 0 245.366 3.592 20 0 BHADRO Cc1cc(N[C@H]2CC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000459754194 203355927 /nfs/dbraw/zinc/35/59/27/203355927.db2.gz JFKOAZBTAWLVPD-DOMZBBRYSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@@H]2CC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000459754196 229144656 /nfs/dbraw/zinc/14/46/56/229144656.db2.gz JFKOAZBTAWLVPD-IUODEOHRSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@@H]2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000459754200 229144711 /nfs/dbraw/zinc/14/47/11/229144711.db2.gz JFKOAZBTAWLVPD-SWLSCSKDSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@H]2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000459754207 229144642 /nfs/dbraw/zinc/14/46/42/229144642.db2.gz JFKOAZBTAWLVPD-WFASDCNBSA-N 1 0 246.398 3.657 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459754247 203357220 /nfs/dbraw/zinc/35/72/20/203357220.db2.gz JGRHMHHANUCUFW-JSDHPKPRSA-N 1 0 245.341 3.617 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459754250 203357279 /nfs/dbraw/zinc/35/72/79/203357279.db2.gz JGRHMHHANUCUFW-OJPVIKLQSA-N 1 0 245.341 3.617 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459754253 203357058 /nfs/dbraw/zinc/35/70/58/203357058.db2.gz JGRHMHHANUCUFW-PEAWLUCISA-N 1 0 245.341 3.617 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459754254 203355686 /nfs/dbraw/zinc/35/56/86/203355686.db2.gz JGRHMHHANUCUFW-VZVMJDEUSA-N 1 0 245.341 3.617 20 0 BHADRO c1ccc([C@H]2C[C@@H]2[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459754764 203356666 /nfs/dbraw/zinc/35/66/66/203356666.db2.gz MCPZBTMMAPOISE-CVEARBPZSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2C[C@H]2[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459754766 203356606 /nfs/dbraw/zinc/35/66/06/203356606.db2.gz MCPZBTMMAPOISE-HZPDHXFCSA-N 1 0 241.378 3.855 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)Cc1ccoc1)C1CCC1 ZINC000459755107 203355159 /nfs/dbraw/zinc/35/51/59/203355159.db2.gz NPEUOZWDCPWPRM-DOMZBBRYSA-N 1 0 235.371 3.769 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)Cc1ccoc1)C1CCC1 ZINC000459755108 203355304 /nfs/dbraw/zinc/35/53/04/203355304.db2.gz NPEUOZWDCPWPRM-IUODEOHRSA-N 1 0 235.371 3.769 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCC1 ZINC000459755111 203355179 /nfs/dbraw/zinc/35/51/79/203355179.db2.gz NPEUOZWDCPWPRM-SWLSCSKDSA-N 1 0 235.371 3.769 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCC1 ZINC000459755112 203356532 /nfs/dbraw/zinc/35/65/32/203356532.db2.gz NPEUOZWDCPWPRM-WFASDCNBSA-N 1 0 235.371 3.769 20 0 BHADRO Clc1ccc2c(c1)C[N@H+]([C@H]1C=CCCC1)C2 ZINC000459756736 203359196 /nfs/dbraw/zinc/35/91/96/203359196.db2.gz GXRWTLGTHVAPTA-AWEZNQCLSA-N 1 0 233.742 3.764 20 0 BHADRO Clc1ccc2c(c1)C[N@H+]([C@@H]1C=CCCC1)C2 ZINC000459756738 203358849 /nfs/dbraw/zinc/35/88/49/203358849.db2.gz GXRWTLGTHVAPTA-CQSZACIVSA-N 1 0 233.742 3.764 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758233 203358241 /nfs/dbraw/zinc/35/82/41/203358241.db2.gz LLOKVDXJZJTIGQ-BYCMXARLSA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758235 203359337 /nfs/dbraw/zinc/35/93/37/203359337.db2.gz LLOKVDXJZJTIGQ-UGFHNGPFSA-N 1 0 241.334 3.711 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CCC3)CCC2)s1 ZINC000459758644 203358528 /nfs/dbraw/zinc/35/85/28/203358528.db2.gz VREQVLXQQLADCB-UHFFFAOYSA-N 1 0 235.396 3.869 20 0 BHADRO Fc1cccc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459759525 203359286 /nfs/dbraw/zinc/35/92/86/203359286.db2.gz WGDIPPZLJPJUAT-UHFFFAOYSA-N 1 0 233.330 3.638 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CCC3)CCC2)c(C)n1 ZINC000459759581 224818345 /nfs/dbraw/zinc/81/83/45/224818345.db2.gz RDUMAVDBGLKLKQ-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@H]1CC[C@@H]1Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459760492 203358569 /nfs/dbraw/zinc/35/85/69/203358569.db2.gz MPRCHXXEGVFZAV-BBRMVZONSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@@H]1Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459760494 203358697 /nfs/dbraw/zinc/35/86/97/203358697.db2.gz MPRCHXXEGVFZAV-CJNGLKHVSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@H]1Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459760496 203358811 /nfs/dbraw/zinc/35/88/11/203358811.db2.gz MPRCHXXEGVFZAV-CZUORRHYSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@H]1Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459760499 203357689 /nfs/dbraw/zinc/35/76/89/203357689.db2.gz MPRCHXXEGVFZAV-XJKSGUPXSA-N 1 0 246.398 3.657 20 0 BHADRO C(=C\c1ccccc1)\CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761359 387287263 /nfs/dbraw/zinc/28/72/63/387287263.db2.gz ATOBZECSHQQKRK-FGVTVLNKSA-N 1 0 241.378 3.868 20 0 BHADRO C(=C/c1ccccc1)\CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761364 387289829 /nfs/dbraw/zinc/28/98/29/387289829.db2.gz ATOBZECSHQQKRK-IAAGLLRASA-N 1 0 241.378 3.868 20 0 BHADRO C(=C\c1ccccc1)\CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761369 387290163 /nfs/dbraw/zinc/29/01/63/387290163.db2.gz ATOBZECSHQQKRK-KXJBIOQESA-N 1 0 241.378 3.868 20 0 BHADRO C(=C/c1ccccc1)\CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761372 387290002 /nfs/dbraw/zinc/29/00/02/387290002.db2.gz ATOBZECSHQQKRK-XYJCEEEDSA-N 1 0 241.378 3.868 20 0 BHADRO Cc1cc(N[C@H](C)C2CCC2)ccc1C[NH+](C)C ZINC000459761911 203359052 /nfs/dbraw/zinc/35/90/52/203359052.db2.gz NGRBQWJDURQTRA-CYBMUJFWSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(N[C@@H](C)C2CCC2)ccc1C[NH+](C)C ZINC000459761912 203358621 /nfs/dbraw/zinc/35/86/21/203358621.db2.gz NGRBQWJDURQTRA-ZDUSSCGKSA-N 1 0 246.398 3.657 20 0 BHADRO CC/C=C\CC[NH2+]C1(C2CCC2)CCC1 ZINC000459763852 203360721 /nfs/dbraw/zinc/36/07/21/203360721.db2.gz XMMGELHQQQHYMI-ARJAWSKDSA-N 1 0 207.361 3.655 20 0 BHADRO CC/C=C/CC[NH2+]C1(C2CCC2)CCC1 ZINC000459763853 203360542 /nfs/dbraw/zinc/36/05/42/203360542.db2.gz XMMGELHQQQHYMI-ONEGZZNKSA-N 1 0 207.361 3.655 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+]C1(C2CCC2)CCC1 ZINC000459764581 203360913 /nfs/dbraw/zinc/36/09/13/203360913.db2.gz YBPSJMPCJHSEKK-AWEZNQCLSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+]C1(C2CCC2)CCC1 ZINC000459764584 203360517 /nfs/dbraw/zinc/36/05/17/203360517.db2.gz YBPSJMPCJHSEKK-CQSZACIVSA-N 1 0 241.378 3.639 20 0 BHADRO Clc1ccc(C[NH2+]C2(C3CCC3)CCC2)o1 ZINC000459764851 203361323 /nfs/dbraw/zinc/36/13/23/203361323.db2.gz ZQVNQIFRNGURCH-UHFFFAOYSA-N 1 0 239.746 3.745 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000459765143 203360049 /nfs/dbraw/zinc/36/00/49/203360049.db2.gz OVOMDVBEFMHPLG-LMCYLSQRSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000459765151 203360764 /nfs/dbraw/zinc/36/07/64/203360764.db2.gz OVOMDVBEFMHPLG-WMUVLYSMSA-N 1 0 241.378 3.711 20 0 BHADRO Clc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459765452 203361607 /nfs/dbraw/zinc/36/16/07/203361607.db2.gz PDIYFAGMQNDUJG-JFUSQASVSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1csc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459765456 203360696 /nfs/dbraw/zinc/36/06/96/203360696.db2.gz PDIYFAGMQNDUJG-ZHAHWJHGSA-N 1 0 241.787 3.680 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459766027 203359875 /nfs/dbraw/zinc/35/98/75/203359875.db2.gz DOHOITDEEIXARR-KBMXLJTQSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459766028 203360981 /nfs/dbraw/zinc/36/09/81/203360981.db2.gz DOHOITDEEIXARR-VNQPRFMTSA-N 1 0 247.357 3.537 20 0 BHADRO CCC[C@H]([NH2+]Cc1nccn1C(C)C)C1CCC1 ZINC000459767371 387289337 /nfs/dbraw/zinc/28/93/37/387289337.db2.gz AALFAODIKGWEMQ-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nccn1C(C)C)C1CCC1 ZINC000459767378 387288922 /nfs/dbraw/zinc/28/89/22/387288922.db2.gz AALFAODIKGWEMQ-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768646 203363628 /nfs/dbraw/zinc/36/36/28/203363628.db2.gz QLZVBOYAFCRQKE-ATGSNQNLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768647 203363595 /nfs/dbraw/zinc/36/35/95/203363595.db2.gz QLZVBOYAFCRQKE-PMOUVXMZSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768648 203363948 /nfs/dbraw/zinc/36/39/48/203363948.db2.gz QLZVBOYAFCRQKE-REBRKWNGSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768649 203362153 /nfs/dbraw/zinc/36/21/53/203362153.db2.gz QLZVBOYAFCRQKE-RZFFKMDDSA-N 1 0 249.423 3.847 20 0 BHADRO Cc1cc(NC2CC(C)(C)C2)ccc1C[NH+](C)C ZINC000459768666 203363417 /nfs/dbraw/zinc/36/34/17/203363417.db2.gz QNRXJRQTJQBGJJ-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768788 203362184 /nfs/dbraw/zinc/36/21/84/203362184.db2.gz QSKMKTUBBAIJDA-USZNOCQGSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768789 203363599 /nfs/dbraw/zinc/36/35/99/203363599.db2.gz QSKMKTUBBAIJDA-WHOHXGKFSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768791 203363480 /nfs/dbraw/zinc/36/34/80/203363480.db2.gz QSKMKTUBBAIJDA-WISYIIOYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459769254 203364172 /nfs/dbraw/zinc/36/41/72/203364172.db2.gz QSKMKTUBBAIJDA-WYUUTHIRSA-N 1 0 249.320 3.886 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459771134 203363751 /nfs/dbraw/zinc/36/37/51/203363751.db2.gz HIOFOAVWZQQCAO-FVCCEPFGSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459771137 203362743 /nfs/dbraw/zinc/36/27/43/203362743.db2.gz HIOFOAVWZQQCAO-NDBYEHHHSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459771140 203362217 /nfs/dbraw/zinc/36/22/17/203362217.db2.gz HIOFOAVWZQQCAO-QNWHQSFQSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459771141 203362466 /nfs/dbraw/zinc/36/24/66/203362466.db2.gz HIOFOAVWZQQCAO-RNJOBUHISA-N 1 0 243.341 3.590 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459771202 203363681 /nfs/dbraw/zinc/36/36/81/203363681.db2.gz RNJQYNOIXMNCMC-BYCMXARLSA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459771205 203363871 /nfs/dbraw/zinc/36/38/71/203363871.db2.gz RNJQYNOIXMNCMC-UGFHNGPFSA-N 1 0 241.334 3.711 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459772233 203362372 /nfs/dbraw/zinc/36/23/72/203362372.db2.gz HUZYXCHYIVTIIX-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459772235 203364185 /nfs/dbraw/zinc/36/41/85/203364185.db2.gz HUZYXCHYIVTIIX-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO c1cc(CCC[NH2+]C2(C3CCC3)CCC2)cs1 ZINC000459772576 203362696 /nfs/dbraw/zinc/36/26/96/203362696.db2.gz OMCIOLHNRUAUHS-UHFFFAOYSA-N 1 0 249.423 3.993 20 0 BHADRO Cc1cc(NCC2(C)CCC2)ccc1C[NH+](C)C ZINC000459773188 487797960 /nfs/dbraw/zinc/79/79/60/487797960.db2.gz SQVMFBRMLCCBGW-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)C2CC(C)(C)C2)c1 ZINC000459773998 527353152 /nfs/dbraw/zinc/35/31/52/527353152.db2.gz VEMPGPIOMUISIN-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000459774160 203363766 /nfs/dbraw/zinc/36/37/66/203363766.db2.gz VTUJDJLEMCAPNQ-MXYBEHONSA-N 1 0 239.403 3.501 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000459774161 203363011 /nfs/dbraw/zinc/36/30/11/203363011.db2.gz VTUJDJLEMCAPNQ-PAPYEOQZSA-N 1 0 239.403 3.501 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000459774283 203362296 /nfs/dbraw/zinc/36/22/96/203362296.db2.gz IOXYGDBHGUKSMZ-JMGFVUJMSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000459774284 203365407 /nfs/dbraw/zinc/36/54/07/203365407.db2.gz IOXYGDBHGUKSMZ-SHPPOPEUSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000459774285 203365177 /nfs/dbraw/zinc/36/51/77/203365177.db2.gz IOXYGDBHGUKSMZ-WXYCVUISSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000459774286 203366119 /nfs/dbraw/zinc/36/61/19/203366119.db2.gz IOXYGDBHGUKSMZ-XTBFLFJDSA-N 1 0 245.341 3.591 20 0 BHADRO CSc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459774853 203365248 /nfs/dbraw/zinc/36/52/48/203365248.db2.gz JPINALQFNHHVMW-KWCYVHTRSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459774854 203365141 /nfs/dbraw/zinc/36/51/41/203365141.db2.gz JPINALQFNHHVMW-XBFCOCLRSA-N 1 0 247.407 3.687 20 0 BHADRO FCCCCCN1Cc2ccc(Cl)cc2C1 ZINC000459775806 203364844 /nfs/dbraw/zinc/36/48/44/203364844.db2.gz XRJFFPBMMMKVDD-UHFFFAOYSA-N 1 0 241.737 3.795 20 0 BHADRO Cc1cc(NC2CCCCC2)ccc1C[NH+](C)C ZINC000459776463 203365877 /nfs/dbraw/zinc/36/58/77/203365877.db2.gz VHXYOLUWEAYEMO-UHFFFAOYSA-N 1 0 246.398 3.801 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(CC)nc1)C1CCC1 ZINC000459776777 203365915 /nfs/dbraw/zinc/36/59/15/203365915.db2.gz XXDYLLLGPAIZHY-INIZCTEOSA-N 1 0 246.398 3.702 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(CC)nc1)C1CCC1 ZINC000459776778 203365585 /nfs/dbraw/zinc/36/55/85/203365585.db2.gz XXDYLLLGPAIZHY-MRXNPFEDSA-N 1 0 246.398 3.702 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459777454 203365181 /nfs/dbraw/zinc/36/51/81/203365181.db2.gz VYHWQBYKCFIVEV-SNPRPXQTSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459777455 203366098 /nfs/dbraw/zinc/36/60/98/203366098.db2.gz VYHWQBYKCFIVEV-VHDGCEQUSA-N 1 0 247.407 3.687 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1C ZINC000459779065 203365981 /nfs/dbraw/zinc/36/59/81/203365981.db2.gz PIJNGRWPNGFUJR-BMFZPTHFSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000459779073 203366254 /nfs/dbraw/zinc/36/62/54/203366254.db2.gz PIJNGRWPNGFUJR-IMJJTQAJSA-N 1 0 247.382 3.522 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)ccc2o1 ZINC000459779987 203364570 /nfs/dbraw/zinc/36/45/70/203364570.db2.gz XLABGIQPRKFBPE-SNPRPXQTSA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)ccc2o1 ZINC000459779989 203364370 /nfs/dbraw/zinc/36/43/70/203364370.db2.gz XLABGIQPRKFBPE-VHDGCEQUSA-N 1 0 241.334 3.711 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccnc1C)C1CCCC1 ZINC000459780502 203364407 /nfs/dbraw/zinc/36/44/07/203364407.db2.gz VRIFQMOWOPVBNU-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccnc1C)C1CCCC1 ZINC000459780507 203365014 /nfs/dbraw/zinc/36/50/14/203365014.db2.gz VRIFQMOWOPVBNU-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCC(CC)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459781103 203366722 /nfs/dbraw/zinc/36/67/22/203366722.db2.gz YBUDHQBXQOCQSR-UHFFFAOYSA-N 1 0 234.387 3.657 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782246 203367077 /nfs/dbraw/zinc/36/70/77/203367077.db2.gz OQFKJYKXDAFLGB-HZSPNIEDSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782247 203368795 /nfs/dbraw/zinc/36/87/95/203368795.db2.gz OQFKJYKXDAFLGB-RDBSUJKOSA-N 1 0 241.444 3.544 20 0 BHADRO Clc1ccsc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782462 203368806 /nfs/dbraw/zinc/36/88/06/203368806.db2.gz YZVMUXZMAIQUNE-WCABBAIRSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1ccsc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782463 203366843 /nfs/dbraw/zinc/36/68/43/203366843.db2.gz YZVMUXZMAIQUNE-YWVKMMECSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459783155 203368096 /nfs/dbraw/zinc/36/80/96/203368096.db2.gz ZIPZWJHRBVJTBT-CQJJVWNLSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459783156 203366909 /nfs/dbraw/zinc/36/69/09/203366909.db2.gz ZIPZWJHRBVJTBT-HLSYRSCKSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459783157 203367656 /nfs/dbraw/zinc/36/76/56/203367656.db2.gz ZIPZWJHRBVJTBT-LMWOUKEDSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459783158 203368876 /nfs/dbraw/zinc/36/88/76/203368876.db2.gz ZIPZWJHRBVJTBT-UNIGVISCSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783530 203368286 /nfs/dbraw/zinc/36/82/86/203368286.db2.gz ZXHZTAXVJFUJRS-MFHWUAJNSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783532 203368006 /nfs/dbraw/zinc/36/80/06/203368006.db2.gz ZXHZTAXVJFUJRS-NKQKNBIVSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783533 203368060 /nfs/dbraw/zinc/36/80/60/203368060.db2.gz ZXHZTAXVJFUJRS-SOMZYNEFSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783535 203368741 /nfs/dbraw/zinc/36/87/41/203368741.db2.gz ZXHZTAXVJFUJRS-YXRJLALLSA-N 1 0 245.366 3.681 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459788046 203370825 /nfs/dbraw/zinc/37/08/25/203370825.db2.gz QRHCPYAIGFVOSM-AFCVYNCWSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459788058 203369333 /nfs/dbraw/zinc/36/93/33/203369333.db2.gz QRHCPYAIGFVOSM-SUZRMVIJSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459788069 203369577 /nfs/dbraw/zinc/36/95/77/203369577.db2.gz QRHCPYAIGFVOSM-UCDYDWOKSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459788085 203369525 /nfs/dbraw/zinc/36/95/25/203369525.db2.gz QRHCPYAIGFVOSM-UHDJJACNSA-N 1 0 245.341 3.591 20 0 BHADRO CCC[C@H]([NH2+]CCCc1ccncc1)C1CCC1 ZINC000459801301 387301974 /nfs/dbraw/zinc/30/19/74/387301974.db2.gz KYWMABJUBDKESO-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]CCCc1ccncc1)C1CCC1 ZINC000459801302 387300916 /nfs/dbraw/zinc/30/09/16/387300916.db2.gz KYWMABJUBDKESO-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncc(C2CC2)o1)C1CCC1 ZINC000459802968 203374180 /nfs/dbraw/zinc/37/41/80/203374180.db2.gz NHKMDGGQUYUBAY-CYBMUJFWSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncc(C2CC2)o1)C1CCC1 ZINC000459802969 203372040 /nfs/dbraw/zinc/37/20/40/203372040.db2.gz NHKMDGGQUYUBAY-ZDUSSCGKSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)nc1C)C1CCC1 ZINC000459809368 203375623 /nfs/dbraw/zinc/37/56/23/203375623.db2.gz SNJMBUCPBZIMCN-INIZCTEOSA-N 1 0 246.398 3.757 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)nc1C)C1CCC1 ZINC000459809371 203375592 /nfs/dbraw/zinc/37/55/92/203375592.db2.gz SNJMBUCPBZIMCN-MRXNPFEDSA-N 1 0 246.398 3.757 20 0 BHADRO CCc1ccc(CC[NH2+][C@H](C)C2CCC2)cc1 ZINC000460352227 538547815 /nfs/dbraw/zinc/54/78/15/538547815.db2.gz NLDZBOWKXFCCJD-CYBMUJFWSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H](C)C2CCC2)cc1 ZINC000460352228 538025410 /nfs/dbraw/zinc/02/54/10/538025410.db2.gz NLDZBOWKXFCCJD-ZDUSSCGKSA-N 1 0 231.383 3.570 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@@H](C)C1CCC1 ZINC000460363412 384670556 /nfs/dbraw/zinc/67/05/56/384670556.db2.gz ILBAJYIKZZZFTR-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@H](C)C1CCC1 ZINC000460363469 384670528 /nfs/dbraw/zinc/67/05/28/384670528.db2.gz ILBAJYIKZZZFTR-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)c1ccc(SC[C@@H](C)[NH+](C)C)cc1 ZINC000460419356 384762814 /nfs/dbraw/zinc/76/28/14/384762814.db2.gz CWGAPSNNCBRGDO-GFCCVEGCSA-N 1 0 237.412 3.852 20 0 BHADRO CC(C)c1ccc(SC[C@H](C)[NH+](C)C)cc1 ZINC000460419360 384762993 /nfs/dbraw/zinc/76/29/93/384762993.db2.gz CWGAPSNNCBRGDO-LBPRGKRZSA-N 1 0 237.412 3.852 20 0 BHADRO C[C@H](CSc1ccc2ccccc2c1)[NH+](C)C ZINC000460447442 384820715 /nfs/dbraw/zinc/82/07/15/384820715.db2.gz LIMXSXHRBMGSRU-GFCCVEGCSA-N 1 0 245.391 3.882 20 0 BHADRO C[C@@H](CSc1ccc2ccccc2c1)[NH+](C)C ZINC000460447443 384818706 /nfs/dbraw/zinc/81/87/06/384818706.db2.gz LIMXSXHRBMGSRU-LBPRGKRZSA-N 1 0 245.391 3.882 20 0 BHADRO CC[C@H]([NH2+]CCc1ccco1)C1CCCCC1 ZINC000461086929 529607822 /nfs/dbraw/zinc/60/78/22/529607822.db2.gz JWRJAPMJIBBLNA-HNNXBMFYSA-N 1 0 235.371 3.771 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccco1)C1CCCCC1 ZINC000461086931 388257793 /nfs/dbraw/zinc/25/77/93/388257793.db2.gz JWRJAPMJIBBLNA-OAHLLOKOSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCc1ccco1 ZINC000461091123 388257939 /nfs/dbraw/zinc/25/79/39/388257939.db2.gz BWZINJIOZDAMFJ-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCc1ccco1 ZINC000461091124 388257777 /nfs/dbraw/zinc/25/77/77/388257777.db2.gz BWZINJIOZDAMFJ-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000461095893 388257987 /nfs/dbraw/zinc/25/79/87/388257987.db2.gz FHVRXJIMBOKNCP-DZGCQCFKSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000461095894 528868808 /nfs/dbraw/zinc/86/88/08/528868808.db2.gz FHVRXJIMBOKNCP-HIFRSBDPSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000461095895 388258036 /nfs/dbraw/zinc/25/80/36/388258036.db2.gz FHVRXJIMBOKNCP-UKRRQHHQSA-N 1 0 235.371 3.771 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000461095896 529003076 /nfs/dbraw/zinc/00/30/76/529003076.db2.gz FHVRXJIMBOKNCP-ZFWWWQNUSA-N 1 0 235.371 3.771 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(C(F)F)cc1 ZINC000461384348 388260671 /nfs/dbraw/zinc/26/06/71/388260671.db2.gz GVSHPUAZIHZUGN-UHFFFAOYSA-N 1 0 227.298 3.856 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000461393663 384956625 /nfs/dbraw/zinc/95/66/25/384956625.db2.gz ZPNSGBNLNGMBMW-CYBMUJFWSA-N 1 0 239.309 3.999 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000461393677 384957566 /nfs/dbraw/zinc/95/75/66/384957566.db2.gz ZPNSGBNLNGMBMW-ZDUSSCGKSA-N 1 0 239.309 3.999 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461402286 388260815 /nfs/dbraw/zinc/26/08/15/388260815.db2.gz OSWYIMPDLTTYQS-GHMZBOCLSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461402287 388260575 /nfs/dbraw/zinc/26/05/75/388260575.db2.gz OSWYIMPDLTTYQS-MNOVXSKESA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461402288 388260804 /nfs/dbraw/zinc/26/08/04/388260804.db2.gz OSWYIMPDLTTYQS-QWRGUYRKSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000461402289 388260748 /nfs/dbraw/zinc/26/07/48/388260748.db2.gz OSWYIMPDLTTYQS-WDEREUQCSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1C[NH+](Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000461404501 388260449 /nfs/dbraw/zinc/26/04/49/388260449.db2.gz VYSMVDIIHJIBGI-GHMZBOCLSA-N 1 0 239.309 3.712 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000461404502 388260497 /nfs/dbraw/zinc/26/04/97/388260497.db2.gz VYSMVDIIHJIBGI-PHIMTYICSA-N 1 0 239.309 3.712 20 0 BHADRO C[C@H]1C[NH+](Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000461404503 388260779 /nfs/dbraw/zinc/26/07/79/388260779.db2.gz VYSMVDIIHJIBGI-QWRGUYRKSA-N 1 0 239.309 3.712 20 0 BHADRO CC[NH+](CC)CCS[C@H](C)c1ccccc1 ZINC000461515131 388261383 /nfs/dbraw/zinc/26/13/83/388261383.db2.gz ICOAGVYJTYNBCG-CYBMUJFWSA-N 1 0 237.412 3.823 20 0 BHADRO CC[NH+](CC)CCS[C@@H](C)c1ccccc1 ZINC000461515133 388260988 /nfs/dbraw/zinc/26/09/88/388260988.db2.gz ICOAGVYJTYNBCG-ZDUSSCGKSA-N 1 0 237.412 3.823 20 0 BHADRO CC[NH+](CC)CCSCc1cccc(C)c1 ZINC000461526559 388261293 /nfs/dbraw/zinc/26/12/93/388261293.db2.gz UYIWRSKCQUBPOJ-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO CC[NH+](CC)CCSCc1ccc(C)cc1 ZINC000461533685 388261253 /nfs/dbraw/zinc/26/12/53/388261253.db2.gz IIGVREFAZXMKEW-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO C=Cc1ccc(CCNc2cc(C)cc[nH+]2)cc1 ZINC000461877203 388262812 /nfs/dbraw/zinc/26/28/12/388262812.db2.gz RHKVVAJXDWUFHA-UHFFFAOYSA-N 1 0 238.334 3.688 20 0 BHADRO C=Cc1ccc(CCNc2cccc(C)[nH+]2)cc1 ZINC000461888080 388262796 /nfs/dbraw/zinc/26/27/96/388262796.db2.gz GNDZDAVJEVJJOS-UHFFFAOYSA-N 1 0 238.334 3.688 20 0 BHADRO CCC(CC)[NH2+]CCc1ccc2ccccc2n1 ZINC000462029195 388263346 /nfs/dbraw/zinc/26/33/46/388263346.db2.gz HXFZYCMHBNFNBB-UHFFFAOYSA-N 1 0 242.366 3.556 20 0 BHADRO CCC(CC)[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC000462040214 388263538 /nfs/dbraw/zinc/26/35/38/388263538.db2.gz LWDNEEGRZAQZAO-UHFFFAOYSA-N 1 0 244.382 3.797 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000462107533 398007980 /nfs/dbraw/zinc/00/79/80/398007980.db2.gz HTKNIHWRANMAQV-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000462107535 398008080 /nfs/dbraw/zinc/00/80/80/398008080.db2.gz HTKNIHWRANMAQV-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000462107536 398007770 /nfs/dbraw/zinc/00/77/70/398007770.db2.gz HTKNIHWRANMAQV-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000462107537 398007932 /nfs/dbraw/zinc/00/79/32/398007932.db2.gz HTKNIHWRANMAQV-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000462110051 398008102 /nfs/dbraw/zinc/00/81/02/398008102.db2.gz GFWJPHUOTQLRHP-HNNXBMFYSA-N 1 0 249.423 3.795 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000462110052 398008062 /nfs/dbraw/zinc/00/80/62/398008062.db2.gz GFWJPHUOTQLRHP-OAHLLOKOSA-N 1 0 249.423 3.795 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000462110104 398008364 /nfs/dbraw/zinc/00/83/64/398008364.db2.gz HBGBYBVNOKKFTE-SHARSMKWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000462110105 398008130 /nfs/dbraw/zinc/00/81/30/398008130.db2.gz HBGBYBVNOKKFTE-SLTAFYQDSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115272 398007998 /nfs/dbraw/zinc/00/79/98/398007998.db2.gz FKEMXSLOFGHGIY-DZGCQCFKSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115273 528915371 /nfs/dbraw/zinc/91/53/71/528915371.db2.gz FKEMXSLOFGHGIY-HIFRSBDPSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115274 398007734 /nfs/dbraw/zinc/00/77/34/398007734.db2.gz FKEMXSLOFGHGIY-UKRRQHHQSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115275 398007859 /nfs/dbraw/zinc/00/78/59/398007859.db2.gz FKEMXSLOFGHGIY-ZFWWWQNUSA-N 1 0 234.387 3.571 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115864 398008637 /nfs/dbraw/zinc/00/86/37/398008637.db2.gz JIGZIKQWLKPFQQ-DZKIICNBSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115865 529684082 /nfs/dbraw/zinc/68/40/82/529684082.db2.gz JIGZIKQWLKPFQQ-LZWOXQAQSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115866 398008623 /nfs/dbraw/zinc/00/86/23/398008623.db2.gz JIGZIKQWLKPFQQ-OFQRWUPVSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115867 398008631 /nfs/dbraw/zinc/00/86/31/398008631.db2.gz JIGZIKQWLKPFQQ-SQWLQELKSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000462116640 529418715 /nfs/dbraw/zinc/41/87/15/529418715.db2.gz JIDXTBUYYJHWBQ-BFHYXJOUSA-N 1 0 243.435 3.994 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000462116647 388264182 /nfs/dbraw/zinc/26/41/82/388264182.db2.gz JIDXTBUYYJHWBQ-IHRRRGAJSA-N 1 0 243.435 3.994 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000462116649 529418638 /nfs/dbraw/zinc/41/86/38/529418638.db2.gz JIDXTBUYYJHWBQ-MELADBBJSA-N 1 0 243.435 3.994 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000462116650 388263879 /nfs/dbraw/zinc/26/38/79/388263879.db2.gz JIDXTBUYYJHWBQ-MJBXVCDLSA-N 1 0 243.435 3.994 20 0 BHADRO CCC(CC)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000462116701 388264414 /nfs/dbraw/zinc/26/44/14/388264414.db2.gz PPEHFFYVQPFWNA-UHFFFAOYSA-N 1 0 235.371 3.622 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CC)C[C@H](C)CO ZINC000462122682 397850309 /nfs/dbraw/zinc/85/03/09/397850309.db2.gz LGCJGEOSXNLVDK-AJNGGQMLSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000462122684 397850381 /nfs/dbraw/zinc/85/03/81/397850381.db2.gz LGCJGEOSXNLVDK-LJISPDSOSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CC)C[C@@H](C)CO ZINC000462122687 397850078 /nfs/dbraw/zinc/85/00/78/397850078.db2.gz LGCJGEOSXNLVDK-XGUBFFRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000462122694 397850258 /nfs/dbraw/zinc/85/02/58/397850258.db2.gz LGCJGEOSXNLVDK-ZQDZILKHSA-N 1 0 243.435 3.588 20 0 BHADRO CCC(CC)C[N@H+](CC)CCCc1ccncc1 ZINC000462309456 384216010 /nfs/dbraw/zinc/21/60/10/384216010.db2.gz AAFINQQDRVHBHQ-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO CC[N@H+](CCCc1ccncc1)C1CCCCC1 ZINC000462309631 384218027 /nfs/dbraw/zinc/21/80/27/384218027.db2.gz BNLIROZAMANCAD-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC(C)(C)O ZINC000462314139 388265368 /nfs/dbraw/zinc/26/53/68/388265368.db2.gz GOELBBRLGBTGSE-HNNXBMFYSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCC(C)(C)O ZINC000462314140 388265643 /nfs/dbraw/zinc/26/56/43/388265643.db2.gz GOELBBRLGBTGSE-OAHLLOKOSA-N 1 0 249.398 3.621 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCCc1ccncc1 ZINC000462319552 388265434 /nfs/dbraw/zinc/26/54/34/388265434.db2.gz HVULNYHUQZCBRK-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCCc1ccncc1 ZINC000462319553 388265441 /nfs/dbraw/zinc/26/54/41/388265441.db2.gz HVULNYHUQZCBRK-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO CCCC[NH+](CCCC)CCCc1ccncc1 ZINC000462319625 528404216 /nfs/dbraw/zinc/40/42/16/528404216.db2.gz PJHMPEQFKZGTTP-UHFFFAOYSA-N 1 0 248.414 3.916 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCCc1ccncc1 ZINC000462322637 388266352 /nfs/dbraw/zinc/26/63/52/388266352.db2.gz APXBESJYWATSOY-UHFFFAOYSA-N 1 0 248.414 3.819 20 0 BHADRO C[N@H+](CCCc1ccncc1)CC1CCCCC1 ZINC000462328013 388266943 /nfs/dbraw/zinc/26/69/43/388266943.db2.gz QGZNFXUOILWSBY-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO C[C@H]([NH2+]CCCc1ccncc1)C1CCCCC1 ZINC000462337469 388266525 /nfs/dbraw/zinc/26/65/25/388266525.db2.gz XRSKDGWVMWTNPQ-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccncc1)C1CCCCC1 ZINC000462337470 388266371 /nfs/dbraw/zinc/26/63/71/388266371.db2.gz XRSKDGWVMWTNPQ-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1occc1C[NH2+]C1CCC(C(C)C)CC1 ZINC000462361722 534574357 /nfs/dbraw/zinc/57/43/57/534574357.db2.gz SVUNTIAHTVJVIC-UHFFFAOYSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)c(C)c1 ZINC000462368287 388267595 /nfs/dbraw/zinc/26/75/95/388267595.db2.gz MAHOHDSHYVFROP-BBRMVZONSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)c(C)c1 ZINC000462368298 388267439 /nfs/dbraw/zinc/26/74/39/388267439.db2.gz MAHOHDSHYVFROP-CJNGLKHVSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000462368299 533806621 /nfs/dbraw/zinc/80/66/21/533806621.db2.gz MAHOHDSHYVFROP-CZUORRHYSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000462368300 388267512 /nfs/dbraw/zinc/26/75/12/388267512.db2.gz MAHOHDSHYVFROP-XJKSGUPXSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000462370406 388267198 /nfs/dbraw/zinc/26/71/98/388267198.db2.gz SMENREDPFMBPFM-KBPBESRZSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000462370410 388267393 /nfs/dbraw/zinc/26/73/93/388267393.db2.gz SMENREDPFMBPFM-KGLIPLIRSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000462370414 388267316 /nfs/dbraw/zinc/26/73/16/388267316.db2.gz SMENREDPFMBPFM-UONOGXRCSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000462370416 388267465 /nfs/dbraw/zinc/26/74/65/388267465.db2.gz SMENREDPFMBPFM-ZIAGYGMSSA-N 1 0 249.423 3.865 20 0 BHADRO C[C@@H]1CC[N@H+](CCCF)CC12CCCCC2 ZINC000462463782 487863310 /nfs/dbraw/zinc/86/33/10/487863310.db2.gz HPZXHONNPCKGHX-CYBMUJFWSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@H]1CC[N@H+](CCCF)CC12CCCCC2 ZINC000462463783 487863561 /nfs/dbraw/zinc/86/35/61/487863561.db2.gz HPZXHONNPCKGHX-ZDUSSCGKSA-N 1 0 227.367 3.638 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000462476177 388268384 /nfs/dbraw/zinc/26/83/84/388268384.db2.gz RJNAMCISGCFICV-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000462476178 388268424 /nfs/dbraw/zinc/26/84/24/388268424.db2.gz RJNAMCISGCFICV-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C)C1 ZINC000462482145 388268499 /nfs/dbraw/zinc/26/84/99/388268499.db2.gz VHQCJKCUUMMEGF-LLVKDONJSA-N 1 0 240.350 3.698 20 0 BHADRO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C)C1 ZINC000462482146 388268181 /nfs/dbraw/zinc/26/81/81/388268181.db2.gz VHQCJKCUUMMEGF-NSHDSACASA-N 1 0 240.350 3.698 20 0 BHADRO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]1C ZINC000462487938 388268146 /nfs/dbraw/zinc/26/81/46/388268146.db2.gz GHEVUJMLESVAQD-CYBMUJFWSA-N 1 0 240.350 3.840 20 0 BHADRO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]1C ZINC000462487939 388268402 /nfs/dbraw/zinc/26/84/02/388268402.db2.gz GHEVUJMLESVAQD-ZDUSSCGKSA-N 1 0 240.350 3.840 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000462683328 388270330 /nfs/dbraw/zinc/27/03/30/388270330.db2.gz ZDPJSJKVJDRVNT-GDBMZVCRSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000462683329 388270047 /nfs/dbraw/zinc/27/00/47/388270047.db2.gz ZDPJSJKVJDRVNT-GOEBONIOSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000462683331 388270311 /nfs/dbraw/zinc/27/03/11/388270311.db2.gz ZDPJSJKVJDRVNT-HOCLYGCPSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000462683333 534256641 /nfs/dbraw/zinc/25/66/41/534256641.db2.gz ZDPJSJKVJDRVNT-ZBFHGGJFSA-N 1 0 243.394 3.887 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000462727481 388270347 /nfs/dbraw/zinc/27/03/47/388270347.db2.gz WKEGBHWZGCHWAT-LLVKDONJSA-N 1 0 249.329 3.954 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000462727482 528397988 /nfs/dbraw/zinc/39/79/88/528397988.db2.gz WKEGBHWZGCHWAT-NSHDSACASA-N 1 0 249.329 3.954 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000462728013 388270405 /nfs/dbraw/zinc/27/04/05/388270405.db2.gz HIVOZVPKWLBYSH-BLLLJJGKSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000462728014 224942480 /nfs/dbraw/zinc/94/24/80/224942480.db2.gz HIVOZVPKWLBYSH-LRDDRELGSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000462728015 388270481 /nfs/dbraw/zinc/27/04/81/388270481.db2.gz HIVOZVPKWLBYSH-MLGOLLRUSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000462728016 388270151 /nfs/dbraw/zinc/27/01/51/388270151.db2.gz HIVOZVPKWLBYSH-WBMJQRKESA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]C2CCCCC2)c1 ZINC000462731145 224942518 /nfs/dbraw/zinc/94/25/18/224942518.db2.gz ZLVBEIWUTGXEBP-UHFFFAOYSA-N 1 0 231.383 3.768 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000462733027 388270426 /nfs/dbraw/zinc/27/04/26/388270426.db2.gz GHZLFJLPKOOMRX-GZBFAFLISA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000462733028 224943060 /nfs/dbraw/zinc/94/30/60/224943060.db2.gz GHZLFJLPKOOMRX-KCQAQPDRSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000462733029 388270057 /nfs/dbraw/zinc/27/00/57/388270057.db2.gz GHZLFJLPKOOMRX-UMVBOHGHSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000462733030 388270135 /nfs/dbraw/zinc/27/01/35/388270135.db2.gz GHZLFJLPKOOMRX-VNHYZAJKSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000462733193 388270376 /nfs/dbraw/zinc/27/03/76/388270376.db2.gz HDUKBCAYLNCQRF-IIAWOOMASA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000462733194 388269919 /nfs/dbraw/zinc/26/99/19/388269919.db2.gz HDUKBCAYLNCQRF-IJEWVQPXSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000462733195 534470883 /nfs/dbraw/zinc/47/08/83/534470883.db2.gz HDUKBCAYLNCQRF-OFQRWUPVSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000462733196 388270155 /nfs/dbraw/zinc/27/01/55/388270155.db2.gz HDUKBCAYLNCQRF-SQWLQELKSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000462737917 388270472 /nfs/dbraw/zinc/27/04/72/388270472.db2.gz RBEAOAFNTFGFCC-IIAWOOMASA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000462737918 388270244 /nfs/dbraw/zinc/27/02/44/388270244.db2.gz RBEAOAFNTFGFCC-IJEWVQPXSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000462737920 388270196 /nfs/dbraw/zinc/27/01/96/388270196.db2.gz RBEAOAFNTFGFCC-OFQRWUPVSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000462737923 534520184 /nfs/dbraw/zinc/52/01/84/534520184.db2.gz RBEAOAFNTFGFCC-SQWLQELKSA-N 1 0 247.357 3.884 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000462740496 388270140 /nfs/dbraw/zinc/27/01/40/388270140.db2.gz BNEWIKFXWBDROY-GXTWGEPZSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000462740498 388270298 /nfs/dbraw/zinc/27/02/98/388270298.db2.gz BNEWIKFXWBDROY-JSGCOSHPSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000462740501 388269901 /nfs/dbraw/zinc/26/99/01/388269901.db2.gz BNEWIKFXWBDROY-OCCSQVGLSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000462740503 388271168 /nfs/dbraw/zinc/27/11/68/388271168.db2.gz BNEWIKFXWBDROY-TZMCWYRMSA-N 1 0 235.371 3.894 20 0 BHADRO Oc1cccc(C[NH2+]CCCCC2CCCC2)c1 ZINC000462743365 388271136 /nfs/dbraw/zinc/27/11/36/388271136.db2.gz CXXFZBJJKMONSE-UHFFFAOYSA-N 1 0 247.382 3.842 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000462743892 384969615 /nfs/dbraw/zinc/96/96/15/384969615.db2.gz LAECDJKAIPWRLA-BMFZPTHFSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000462743895 384970331 /nfs/dbraw/zinc/97/03/31/384970331.db2.gz LAECDJKAIPWRLA-FVQBIDKESA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000462743907 384970449 /nfs/dbraw/zinc/97/04/49/384970449.db2.gz LAECDJKAIPWRLA-KBMXLJTQSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000462743909 219868329 /nfs/dbraw/zinc/86/83/29/219868329.db2.gz LAECDJKAIPWRLA-VNQPRFMTSA-N 1 0 243.394 3.885 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000462747308 384982003 /nfs/dbraw/zinc/98/20/03/384982003.db2.gz WNWXEIMYUWHJCL-GDBMZVCRSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000462747310 384982700 /nfs/dbraw/zinc/98/27/00/384982700.db2.gz WNWXEIMYUWHJCL-GOEBONIOSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000462747311 384982881 /nfs/dbraw/zinc/98/28/81/384982881.db2.gz WNWXEIMYUWHJCL-HOCLYGCPSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000462747312 384982361 /nfs/dbraw/zinc/98/23/61/384982361.db2.gz WNWXEIMYUWHJCL-ZBFHGGJFSA-N 1 0 231.383 3.706 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000462747719 388271291 /nfs/dbraw/zinc/27/12/91/388271291.db2.gz FAYZZRQYZSHZGP-BBRMVZONSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000462747720 388270813 /nfs/dbraw/zinc/27/08/13/388270813.db2.gz FAYZZRQYZSHZGP-CJNGLKHVSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000462747721 388271247 /nfs/dbraw/zinc/27/12/47/388271247.db2.gz FAYZZRQYZSHZGP-CZUORRHYSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000462747722 388270643 /nfs/dbraw/zinc/27/06/43/388270643.db2.gz FAYZZRQYZSHZGP-XJKSGUPXSA-N 1 0 231.383 3.570 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)C1 ZINC000462750153 388270851 /nfs/dbraw/zinc/27/08/51/388270851.db2.gz XBMLLGZMYDEYHP-DOMZBBRYSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)C1 ZINC000462750154 388270663 /nfs/dbraw/zinc/27/06/63/388270663.db2.gz XBMLLGZMYDEYHP-IUODEOHRSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)C1 ZINC000462750155 533713125 /nfs/dbraw/zinc/71/31/25/533713125.db2.gz XBMLLGZMYDEYHP-SWLSCSKDSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)C1 ZINC000462750156 533765423 /nfs/dbraw/zinc/76/54/23/533765423.db2.gz XBMLLGZMYDEYHP-WFASDCNBSA-N 1 0 249.373 3.882 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000462750380 528531690 /nfs/dbraw/zinc/53/16/90/528531690.db2.gz ZKAFQXKUQOWDRI-CABCVRRESA-N 1 0 231.383 3.816 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000462750381 388271173 /nfs/dbraw/zinc/27/11/73/388271173.db2.gz ZKAFQXKUQOWDRI-GJZGRUSLSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000462750382 388270825 /nfs/dbraw/zinc/27/08/25/388270825.db2.gz ZKAFQXKUQOWDRI-HUUCEWRRSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000462750383 528531518 /nfs/dbraw/zinc/53/15/18/528531518.db2.gz ZKAFQXKUQOWDRI-LSDHHAIUSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000462750556 388270772 /nfs/dbraw/zinc/27/07/72/388270772.db2.gz PNNNVPADZQMMHD-BBRMVZONSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000462750557 224943612 /nfs/dbraw/zinc/94/36/12/224943612.db2.gz PNNNVPADZQMMHD-CJNGLKHVSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000462750558 219868449 /nfs/dbraw/zinc/86/84/49/219868449.db2.gz PNNNVPADZQMMHD-CZUORRHYSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000462750559 384993455 /nfs/dbraw/zinc/99/34/55/384993455.db2.gz PNNNVPADZQMMHD-XJKSGUPXSA-N 1 0 249.373 3.927 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccccc1N(C)C ZINC000462760938 388270696 /nfs/dbraw/zinc/27/06/96/388270696.db2.gz IYENILQSZQNDGT-UHFFFAOYSA-N 1 0 248.414 3.811 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000462762055 388271315 /nfs/dbraw/zinc/27/13/15/388271315.db2.gz BBRXFCXHIMYQIX-BSWAZPDLSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000462762056 388271178 /nfs/dbraw/zinc/27/11/78/388271178.db2.gz BBRXFCXHIMYQIX-IWCQGFGOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000462762058 388270874 /nfs/dbraw/zinc/27/08/74/388270874.db2.gz BBRXFCXHIMYQIX-MXASKKJJSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]2Cc2ccccc2)C1 ZINC000462762059 388270684 /nfs/dbraw/zinc/27/06/84/388270684.db2.gz BBRXFCXHIMYQIX-SIXLDLHFSA-N 1 0 243.394 3.786 20 0 BHADRO c1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462763371 388270732 /nfs/dbraw/zinc/27/07/32/388270732.db2.gz OKOXPHJSYJBBJK-CVEARBPZSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462763374 388271272 /nfs/dbraw/zinc/27/12/72/388271272.db2.gz OKOXPHJSYJBBJK-HOTGVXAUSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462763375 388271095 /nfs/dbraw/zinc/27/10/95/388271095.db2.gz OKOXPHJSYJBBJK-HZPDHXFCSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462763378 388271244 /nfs/dbraw/zinc/27/12/44/388271244.db2.gz OKOXPHJSYJBBJK-JKSUJKDBSA-N 1 0 229.367 3.745 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462766361 388270749 /nfs/dbraw/zinc/27/07/49/388270749.db2.gz QUKIATKBPWCACC-GDBMZVCRSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000462766362 388271102 /nfs/dbraw/zinc/27/11/02/388271102.db2.gz QUKIATKBPWCACC-GOEBONIOSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000462766363 388270896 /nfs/dbraw/zinc/27/08/96/388270896.db2.gz QUKIATKBPWCACC-HOCLYGCPSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccccc1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000462766364 388271074 /nfs/dbraw/zinc/27/10/74/388271074.db2.gz QUKIATKBPWCACC-ZBFHGGJFSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462768333 388270803 /nfs/dbraw/zinc/27/08/03/388270803.db2.gz UZVBGJKOLCHNCG-CVEARBPZSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462768334 388270746 /nfs/dbraw/zinc/27/07/46/388270746.db2.gz UZVBGJKOLCHNCG-HOTGVXAUSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462768335 388270778 /nfs/dbraw/zinc/27/07/78/388270778.db2.gz UZVBGJKOLCHNCG-HZPDHXFCSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462768336 388270652 /nfs/dbraw/zinc/27/06/52/388270652.db2.gz UZVBGJKOLCHNCG-JKSUJKDBSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000462769944 388270834 /nfs/dbraw/zinc/27/08/34/388270834.db2.gz SONHSBCRJUMBIP-CVEARBPZSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000462769946 534520358 /nfs/dbraw/zinc/52/03/58/534520358.db2.gz SONHSBCRJUMBIP-HOTGVXAUSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000462769948 388270942 /nfs/dbraw/zinc/27/09/42/388270942.db2.gz SONHSBCRJUMBIP-HZPDHXFCSA-N 1 0 247.357 3.884 20 0 BHADRO Fc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000462769949 534520736 /nfs/dbraw/zinc/52/07/36/534520736.db2.gz SONHSBCRJUMBIP-JKSUJKDBSA-N 1 0 247.357 3.884 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000462774180 224943929 /nfs/dbraw/zinc/94/39/29/224943929.db2.gz OCELPRWEOJXCSG-GXTWGEPZSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000462774181 388271542 /nfs/dbraw/zinc/27/15/42/388271542.db2.gz OCELPRWEOJXCSG-JSGCOSHPSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000462774182 388272128 /nfs/dbraw/zinc/27/21/28/388272128.db2.gz OCELPRWEOJXCSG-OCCSQVGLSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000462774183 224943735 /nfs/dbraw/zinc/94/37/35/224943735.db2.gz OCELPRWEOJXCSG-TZMCWYRMSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2F)C1 ZINC000462775458 388271782 /nfs/dbraw/zinc/27/17/82/388271782.db2.gz PWXGWWQUFSWXSI-CHWSQXEVSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)C1 ZINC000462775459 388271836 /nfs/dbraw/zinc/27/18/36/388271836.db2.gz PWXGWWQUFSWXSI-OLZOCXBDSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2F)C1 ZINC000462775460 388271528 /nfs/dbraw/zinc/27/15/28/388271528.db2.gz PWXGWWQUFSWXSI-QWHCGFSZSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)C1 ZINC000462775461 533764787 /nfs/dbraw/zinc/76/47/87/533764787.db2.gz PWXGWWQUFSWXSI-STQMWFEESA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)C1 ZINC000462779232 388272153 /nfs/dbraw/zinc/27/21/53/388272153.db2.gz NWPOJAUPTNZOMU-DOMZBBRYSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)C1 ZINC000462779233 224944146 /nfs/dbraw/zinc/94/41/46/224944146.db2.gz NWPOJAUPTNZOMU-IUODEOHRSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)C1 ZINC000462779234 533714027 /nfs/dbraw/zinc/71/40/27/533714027.db2.gz NWPOJAUPTNZOMU-SWLSCSKDSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)C1 ZINC000462779235 388271646 /nfs/dbraw/zinc/27/16/46/388271646.db2.gz NWPOJAUPTNZOMU-WFASDCNBSA-N 1 0 249.373 3.882 20 0 BHADRO c1cc(C2CCCC2)ccc1C[NH2+]C1CCC1 ZINC000462780250 224944385 /nfs/dbraw/zinc/94/43/85/224944385.db2.gz QLLFIEVTGZRQPB-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cn1 ZINC000462790940 388271640 /nfs/dbraw/zinc/27/16/40/388271640.db2.gz WQZUHURLHLOZMX-BMFZPTHFSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cn1 ZINC000462790941 388272121 /nfs/dbraw/zinc/27/21/21/388272121.db2.gz WQZUHURLHLOZMX-FVQBIDKESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cn1 ZINC000462790942 388271935 /nfs/dbraw/zinc/27/19/35/388271935.db2.gz WQZUHURLHLOZMX-KBMXLJTQSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cn1 ZINC000462790943 388271597 /nfs/dbraw/zinc/27/15/97/388271597.db2.gz WQZUHURLHLOZMX-VNQPRFMTSA-N 1 0 244.382 3.543 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000462791572 388271758 /nfs/dbraw/zinc/27/17/58/388271758.db2.gz CNPBDDBUDMHGGM-AAEUAGOBSA-N 1 0 236.359 3.769 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000462792062 388272156 /nfs/dbraw/zinc/27/21/56/388272156.db2.gz CNPBDDBUDMHGGM-DGCLKSJQSA-N 1 0 236.359 3.769 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000462792063 388272057 /nfs/dbraw/zinc/27/20/57/388272057.db2.gz CNPBDDBUDMHGGM-WCQYABFASA-N 1 0 236.359 3.769 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000462792064 388272049 /nfs/dbraw/zinc/27/20/49/388272049.db2.gz CNPBDDBUDMHGGM-YPMHNXCESA-N 1 0 236.359 3.769 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000462801643 388272025 /nfs/dbraw/zinc/27/20/25/388272025.db2.gz HHTHQJDLMAPNHK-CYBMUJFWSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000462801644 388272027 /nfs/dbraw/zinc/27/20/27/388272027.db2.gz HHTHQJDLMAPNHK-ZDUSSCGKSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000462801955 398295027 /nfs/dbraw/zinc/29/50/27/398295027.db2.gz IXRXUWHCTPHEIC-DLBZAZTESA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000462801956 398295495 /nfs/dbraw/zinc/29/54/95/398295495.db2.gz IXRXUWHCTPHEIC-IAGOWNOFSA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000462801957 487538262 /nfs/dbraw/zinc/53/82/62/487538262.db2.gz IXRXUWHCTPHEIC-IRXDYDNUSA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000462801958 526274308 /nfs/dbraw/zinc/27/43/08/526274308.db2.gz IXRXUWHCTPHEIC-SJORKVTESA-N 1 0 241.378 3.650 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCCF ZINC000462802818 388272004 /nfs/dbraw/zinc/27/20/04/388272004.db2.gz AONJFVQUXZTYCX-HNNXBMFYSA-N 1 0 237.362 3.593 20 0 BHADRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCCF ZINC000462802819 388271518 /nfs/dbraw/zinc/27/15/18/388271518.db2.gz AONJFVQUXZTYCX-OAHLLOKOSA-N 1 0 237.362 3.593 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000462803016 388272008 /nfs/dbraw/zinc/27/20/08/388272008.db2.gz MUAHFXOCLKYUCY-BBRMVZONSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000462803018 526274501 /nfs/dbraw/zinc/27/45/01/526274501.db2.gz MUAHFXOCLKYUCY-CJNGLKHVSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000462803019 388272146 /nfs/dbraw/zinc/27/21/46/388272146.db2.gz MUAHFXOCLKYUCY-CZUORRHYSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000462803021 526273918 /nfs/dbraw/zinc/27/39/18/526273918.db2.gz MUAHFXOCLKYUCY-XJKSGUPXSA-N 1 0 229.367 3.650 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCCF ZINC000462803424 529539937 /nfs/dbraw/zinc/53/99/37/529539937.db2.gz AXDNMXHQOXDWBF-HNNXBMFYSA-N 1 0 237.362 3.655 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCCF ZINC000462803425 388271618 /nfs/dbraw/zinc/27/16/18/388271618.db2.gz AXDNMXHQOXDWBF-OAHLLOKOSA-N 1 0 237.362 3.655 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000462805051 526274492 /nfs/dbraw/zinc/27/44/92/526274492.db2.gz FWHOKGDCVVQXCR-BBRMVZONSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000462805052 388271578 /nfs/dbraw/zinc/27/15/78/388271578.db2.gz FWHOKGDCVVQXCR-CJNGLKHVSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000462805053 388271526 /nfs/dbraw/zinc/27/15/26/388271526.db2.gz FWHOKGDCVVQXCR-CZUORRHYSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000462805054 388272133 /nfs/dbraw/zinc/27/21/33/388272133.db2.gz FWHOKGDCVVQXCR-XJKSGUPXSA-N 1 0 229.367 3.650 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCCCF)c2ccccc21 ZINC000462807066 388272118 /nfs/dbraw/zinc/27/21/18/388272118.db2.gz LILJSWZSUCPSFI-AWEZNQCLSA-N 1 0 235.346 3.748 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCCCF)c2ccccc21 ZINC000462807067 388271914 /nfs/dbraw/zinc/27/19/14/388271914.db2.gz LILJSWZSUCPSFI-CQSZACIVSA-N 1 0 235.346 3.748 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000462807160 526274730 /nfs/dbraw/zinc/27/47/30/526274730.db2.gz WXNKFNOHXLDWPQ-HNNXBMFYSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000462807161 388272081 /nfs/dbraw/zinc/27/20/81/388272081.db2.gz WXNKFNOHXLDWPQ-OAHLLOKOSA-N 1 0 229.367 3.650 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCF)C1 ZINC000462808506 534187230 /nfs/dbraw/zinc/18/72/30/534187230.db2.gz PDAIBSKDCGNHCT-CVEARBPZSA-N 1 0 249.373 3.836 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCCF)C1 ZINC000462808507 388271976 /nfs/dbraw/zinc/27/19/76/388271976.db2.gz PDAIBSKDCGNHCT-HOTGVXAUSA-N 1 0 249.373 3.836 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCF)C1 ZINC000462808508 388272163 /nfs/dbraw/zinc/27/21/63/388272163.db2.gz PDAIBSKDCGNHCT-HZPDHXFCSA-N 1 0 249.373 3.836 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCCF)C1 ZINC000462808509 388271697 /nfs/dbraw/zinc/27/16/97/388271697.db2.gz PDAIBSKDCGNHCT-JKSUJKDBSA-N 1 0 249.373 3.836 20 0 BHADRO FCCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000462809933 224945408 /nfs/dbraw/zinc/94/54/08/224945408.db2.gz JQBQRLDVVPUEIG-CABCVRRESA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000462809934 388272040 /nfs/dbraw/zinc/27/20/40/388272040.db2.gz JQBQRLDVVPUEIG-GJZGRUSLSA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000462809935 388271728 /nfs/dbraw/zinc/27/17/28/388271728.db2.gz JQBQRLDVVPUEIG-HUUCEWRRSA-N 1 0 235.346 3.662 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000462809937 388271581 /nfs/dbraw/zinc/27/15/81/388271581.db2.gz JQBQRLDVVPUEIG-LSDHHAIUSA-N 1 0 235.346 3.662 20 0 BHADRO C=Cc1ccc(CC[NH2+]C2CC(C)(C)C2)cc1 ZINC000462810594 388271961 /nfs/dbraw/zinc/27/19/61/388271961.db2.gz UZRPRRWHKRDTCK-UHFFFAOYSA-N 1 0 229.367 3.650 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]CCCCF ZINC000462810735 528962497 /nfs/dbraw/zinc/96/24/97/528962497.db2.gz KTWFXNQIXMJLHR-HNNXBMFYSA-N 1 0 237.362 3.737 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]CCCCF ZINC000462810736 528162937 /nfs/dbraw/zinc/16/29/37/528162937.db2.gz KTWFXNQIXMJLHR-OAHLLOKOSA-N 1 0 237.362 3.737 20 0 BHADRO CC(C)O[C@H]1C[C@H]([NH2+]C2CCCCC2)C1(C)C ZINC000462810748 528089226 /nfs/dbraw/zinc/08/92/26/528089226.db2.gz KZLAHTPYUXMDBW-KBPBESRZSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCCCC2)C1(C)C ZINC000462810749 388271513 /nfs/dbraw/zinc/27/15/13/388271513.db2.gz KZLAHTPYUXMDBW-KGLIPLIRSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCCCC2)C1(C)C ZINC000462810750 388271649 /nfs/dbraw/zinc/27/16/49/388271649.db2.gz KZLAHTPYUXMDBW-UONOGXRCSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCCCC2)C1(C)C ZINC000462810751 528060526 /nfs/dbraw/zinc/06/05/26/528060526.db2.gz KZLAHTPYUXMDBW-ZIAGYGMSSA-N 1 0 239.403 3.501 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462811828 528896020 /nfs/dbraw/zinc/89/60/20/528896020.db2.gz GQARYHXWAMKANZ-GUTXKFCHSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462811830 528895246 /nfs/dbraw/zinc/89/52/46/528895246.db2.gz GQARYHXWAMKANZ-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462811832 388272101 /nfs/dbraw/zinc/27/21/01/388272101.db2.gz GQARYHXWAMKANZ-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462811834 528895731 /nfs/dbraw/zinc/89/57/31/528895731.db2.gz GQARYHXWAMKANZ-YDHLFZDLSA-N 1 0 241.419 3.606 20 0 BHADRO C=Cc1ccc(CC[NH2+]C2CC(CC)C2)cc1 ZINC000462811909 526273078 /nfs/dbraw/zinc/27/30/78/526273078.db2.gz GTDHIPVQAHYTGK-UHFFFAOYSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](CC)C2CC2)cc1 ZINC000462812165 388271814 /nfs/dbraw/zinc/27/18/14/388271814.db2.gz YJTOZRICZWUQBZ-INIZCTEOSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](CC)C2CC2)cc1 ZINC000462812166 526274233 /nfs/dbraw/zinc/27/42/33/526274233.db2.gz YJTOZRICZWUQBZ-MRXNPFEDSA-N 1 0 229.367 3.650 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462812841 388271643 /nfs/dbraw/zinc/27/16/43/388271643.db2.gz JDBFLBLSOMALDF-AEGPPILISA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462812842 528069033 /nfs/dbraw/zinc/06/90/33/528069033.db2.gz JDBFLBLSOMALDF-CFVMTHIKSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462812843 388271880 /nfs/dbraw/zinc/27/18/80/388271880.db2.gz JDBFLBLSOMALDF-NWANDNLSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462812844 528075593 /nfs/dbraw/zinc/07/55/93/528075593.db2.gz JDBFLBLSOMALDF-QEJZJMRPSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCCCF)[C@@H]1C[C@H]1c1ccccc1 ZINC000462813151 388271525 /nfs/dbraw/zinc/27/15/25/388271525.db2.gz QEJBRNLOJQMMEK-SNPRPXQTSA-N 1 0 235.346 3.518 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000462813325 388271722 /nfs/dbraw/zinc/27/17/22/388271722.db2.gz LXDNRJWUMAAUBW-INIZCTEOSA-N 1 0 241.378 3.794 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000462813326 388271529 /nfs/dbraw/zinc/27/15/29/388271529.db2.gz LXDNRJWUMAAUBW-MRXNPFEDSA-N 1 0 241.378 3.794 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)C2CCC2)cc1 ZINC000462813842 388271522 /nfs/dbraw/zinc/27/15/22/388271522.db2.gz NDPHDIUQPSYYAY-CYBMUJFWSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)C2CCC2)cc1 ZINC000462813843 388271768 /nfs/dbraw/zinc/27/17/68/388271768.db2.gz NDPHDIUQPSYYAY-ZDUSSCGKSA-N 1 0 229.367 3.650 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CCCCF)C2CC2)cc1 ZINC000462814178 388271942 /nfs/dbraw/zinc/27/19/42/388271942.db2.gz OMILDKRVTHTCOU-INIZCTEOSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CCCCF)C2CC2)cc1 ZINC000462814179 534130204 /nfs/dbraw/zinc/13/02/04/534130204.db2.gz OMILDKRVTHTCOU-MRXNPFEDSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCCF)cc1 ZINC000462814573 388271606 /nfs/dbraw/zinc/27/16/06/388271606.db2.gz UZOYFRMPDMNUJC-CVEARBPZSA-N 1 0 249.373 3.970 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCF)cc1 ZINC000462814574 388271692 /nfs/dbraw/zinc/27/16/92/388271692.db2.gz UZOYFRMPDMNUJC-HOTGVXAUSA-N 1 0 249.373 3.970 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCCF)cc1 ZINC000462814575 388271788 /nfs/dbraw/zinc/27/17/88/388271788.db2.gz UZOYFRMPDMNUJC-HZPDHXFCSA-N 1 0 249.373 3.970 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCCF)cc1 ZINC000462814576 388271927 /nfs/dbraw/zinc/27/19/27/388271927.db2.gz UZOYFRMPDMNUJC-JKSUJKDBSA-N 1 0 249.373 3.970 20 0 BHADRO FCCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000462814765 388272032 /nfs/dbraw/zinc/27/20/32/388272032.db2.gz GGLXIKDFVWJRAF-CVEARBPZSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000462814766 388271667 /nfs/dbraw/zinc/27/16/67/388271667.db2.gz GGLXIKDFVWJRAF-HOTGVXAUSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000462814767 224945443 /nfs/dbraw/zinc/94/54/43/224945443.db2.gz GGLXIKDFVWJRAF-HZPDHXFCSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000462814768 388271709 /nfs/dbraw/zinc/27/17/09/388271709.db2.gz GGLXIKDFVWJRAF-JKSUJKDBSA-N 1 0 249.373 3.737 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CCCCF)cc1 ZINC000462815327 533828404 /nfs/dbraw/zinc/82/84/04/533828404.db2.gz XJDSQFDJKDGEEU-AWEZNQCLSA-N 1 0 237.362 3.655 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CCCCF)cc1 ZINC000462815328 388271791 /nfs/dbraw/zinc/27/17/91/388271791.db2.gz XJDSQFDJKDGEEU-CQSZACIVSA-N 1 0 237.362 3.655 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCCF ZINC000462816748 388272064 /nfs/dbraw/zinc/27/20/64/388272064.db2.gz MAFXPILVUVQXHG-CABCVRRESA-N 1 0 249.373 3.908 20 0 BHADRO CC1(C)[C@@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000462816749 388271623 /nfs/dbraw/zinc/27/16/23/388271623.db2.gz MAFXPILVUVQXHG-GJZGRUSLSA-N 1 0 249.373 3.908 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000462816751 527868553 /nfs/dbraw/zinc/86/85/53/527868553.db2.gz MAFXPILVUVQXHG-HUUCEWRRSA-N 1 0 249.373 3.908 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000462816752 388272021 /nfs/dbraw/zinc/27/20/21/388272021.db2.gz MAFXPILVUVQXHG-LSDHHAIUSA-N 1 0 249.373 3.908 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000462816836 388271549 /nfs/dbraw/zinc/27/15/49/388271549.db2.gz SHNCAFKUULYZIA-CYBMUJFWSA-N 1 0 231.383 3.896 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000462816837 388271574 /nfs/dbraw/zinc/27/15/74/388271574.db2.gz SHNCAFKUULYZIA-ZDUSSCGKSA-N 1 0 231.383 3.896 20 0 BHADRO CO[C@](C)(C[NH2+][C@@H](C)CCCC(C)C)C1CC1 ZINC000462817897 388271679 /nfs/dbraw/zinc/27/16/79/388271679.db2.gz UWYYCDUWWGSTEC-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@](C)(C[NH2+][C@H](C)CCCC(C)C)C1CC1 ZINC000462818154 388272116 /nfs/dbraw/zinc/27/21/16/388272116.db2.gz UWYYCDUWWGSTEC-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@](C)(C[NH2+][C@H](C)CCCC(C)C)C1CC1 ZINC000462818155 388271684 /nfs/dbraw/zinc/27/16/84/388271684.db2.gz UWYYCDUWWGSTEC-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@](C)(C[NH2+][C@@H](C)CCCC(C)C)C1CC1 ZINC000462818156 388271745 /nfs/dbraw/zinc/27/17/45/388271745.db2.gz UWYYCDUWWGSTEC-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCF)[C@H](C)C2 ZINC000462818778 388272113 /nfs/dbraw/zinc/27/21/13/388272113.db2.gz QELNTKJWIXEKPD-DOMZBBRYSA-N 1 0 235.346 3.568 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCF)[C@H](C)C2 ZINC000462818779 534450292 /nfs/dbraw/zinc/45/02/92/534450292.db2.gz QELNTKJWIXEKPD-IUODEOHRSA-N 1 0 235.346 3.568 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCF)[C@@H](C)C2 ZINC000462818780 388272034 /nfs/dbraw/zinc/27/20/34/388272034.db2.gz QELNTKJWIXEKPD-SWLSCSKDSA-N 1 0 235.346 3.568 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCF)[C@@H](C)C2 ZINC000462818781 388271849 /nfs/dbraw/zinc/27/18/49/388271849.db2.gz QELNTKJWIXEKPD-WFASDCNBSA-N 1 0 235.346 3.568 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)c2ccco2)cc1 ZINC000462818856 388271857 /nfs/dbraw/zinc/27/18/57/388271857.db2.gz KXSLACMGRPEDMF-CYBMUJFWSA-N 1 0 241.334 3.816 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccco2)cc1 ZINC000462818857 388271997 /nfs/dbraw/zinc/27/19/97/388271997.db2.gz KXSLACMGRPEDMF-ZDUSSCGKSA-N 1 0 241.334 3.816 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCCF ZINC000462819308 388271741 /nfs/dbraw/zinc/27/17/41/388271741.db2.gz RYNTUWIOCUGHNN-GXTWGEPZSA-N 1 0 235.346 3.883 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCCF ZINC000462819309 388271585 /nfs/dbraw/zinc/27/15/85/388271585.db2.gz RYNTUWIOCUGHNN-JSGCOSHPSA-N 1 0 235.346 3.883 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCF ZINC000462819310 224945486 /nfs/dbraw/zinc/94/54/86/224945486.db2.gz RYNTUWIOCUGHNN-OCCSQVGLSA-N 1 0 235.346 3.883 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCCF ZINC000462819311 388271682 /nfs/dbraw/zinc/27/16/82/388271682.db2.gz RYNTUWIOCUGHNN-TZMCWYRMSA-N 1 0 235.346 3.883 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000462820174 526273683 /nfs/dbraw/zinc/27/36/83/526273683.db2.gz NVKNWOMCSPNQBX-CVEARBPZSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000462820175 388271545 /nfs/dbraw/zinc/27/15/45/388271545.db2.gz NVKNWOMCSPNQBX-HOTGVXAUSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000462820176 388271661 /nfs/dbraw/zinc/27/16/61/388271661.db2.gz NVKNWOMCSPNQBX-HZPDHXFCSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000462820177 388271703 /nfs/dbraw/zinc/27/17/03/388271703.db2.gz NVKNWOMCSPNQBX-JKSUJKDBSA-N 1 0 229.367 3.650 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000462820267 388272725 /nfs/dbraw/zinc/27/27/25/388272725.db2.gz UXVSTFANMAXOSA-AEGPPILISA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCCF ZINC000462820268 224946917 /nfs/dbraw/zinc/94/69/17/224946917.db2.gz UXVSTFANMAXOSA-CFVMTHIKSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000462820269 388272526 /nfs/dbraw/zinc/27/25/26/388272526.db2.gz UXVSTFANMAXOSA-NWANDNLSSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000462820270 388273015 /nfs/dbraw/zinc/27/30/15/388273015.db2.gz UXVSTFANMAXOSA-QEJZJMRPSA-N 1 0 235.346 3.518 20 0 BHADRO CO[C@](C)(C[NH2+][C@@H](C)CCC=C(C)C)C1CC1 ZINC000462821074 388273076 /nfs/dbraw/zinc/27/30/76/388273076.db2.gz ZVSNGQBRWPCFGF-DZGCQCFKSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@](C)(C[NH2+][C@H](C)CCC=C(C)C)C1CC1 ZINC000462821075 388273030 /nfs/dbraw/zinc/27/30/30/388273030.db2.gz ZVSNGQBRWPCFGF-HIFRSBDPSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@](C)(C[NH2+][C@H](C)CCC=C(C)C)C1CC1 ZINC000462821076 388272739 /nfs/dbraw/zinc/27/27/39/388272739.db2.gz ZVSNGQBRWPCFGF-UKRRQHHQSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@](C)(C[NH2+][C@@H](C)CCC=C(C)C)C1CC1 ZINC000462821077 388273078 /nfs/dbraw/zinc/27/30/78/388273078.db2.gz ZVSNGQBRWPCFGF-ZFWWWQNUSA-N 1 0 239.403 3.526 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CCCCF)C1CC1 ZINC000462821386 388272954 /nfs/dbraw/zinc/27/29/54/388272954.db2.gz YAXSDQUOCUPMIL-INIZCTEOSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CCCCF)C1CC1 ZINC000462821387 224946717 /nfs/dbraw/zinc/94/67/17/224946717.db2.gz YAXSDQUOCUPMIL-MRXNPFEDSA-N 1 0 249.373 3.655 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)CC2CC2)cc1 ZINC000462823279 388273010 /nfs/dbraw/zinc/27/30/10/388273010.db2.gz ZVHFEGRIZIJMTQ-CYBMUJFWSA-N 1 0 229.367 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)CC2CC2)cc1 ZINC000462823281 388272483 /nfs/dbraw/zinc/27/24/83/388272483.db2.gz ZVHFEGRIZIJMTQ-ZDUSSCGKSA-N 1 0 229.367 3.650 20 0 BHADRO Fc1ccccc1C1C[NH+](CC2CCCCC2)C1 ZINC000462824489 224946637 /nfs/dbraw/zinc/94/66/37/224946637.db2.gz CDUGWHCAQFOYCC-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CC[C@@H](C[N@H+](CC)C[C@@H](C)OC)c1ccccc1 ZINC000462826387 388272664 /nfs/dbraw/zinc/27/26/64/388272664.db2.gz PMUWMZCQDBAKFE-CABCVRRESA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@@H](C[N@H+](CC)C[C@H](C)OC)c1ccccc1 ZINC000462826388 529472486 /nfs/dbraw/zinc/47/24/86/529472486.db2.gz PMUWMZCQDBAKFE-GJZGRUSLSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](CC)C[C@@H](C)OC)c1ccccc1 ZINC000462826389 388272641 /nfs/dbraw/zinc/27/26/41/388272641.db2.gz PMUWMZCQDBAKFE-HUUCEWRRSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](CC)C[C@H](C)OC)c1ccccc1 ZINC000462826390 388272431 /nfs/dbraw/zinc/27/24/31/388272431.db2.gz PMUWMZCQDBAKFE-LSDHHAIUSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CCCC1CCOCC1)CC(C)(C)C ZINC000462826750 385157834 /nfs/dbraw/zinc/15/78/34/385157834.db2.gz SLUKCOBDAXBFPR-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[N@H+](CC[C@@H](C)c1ccccc1)C[C@H](C)OC ZINC000462827336 388272638 /nfs/dbraw/zinc/27/26/38/388272638.db2.gz WJCGSIMXAIUSPT-CABCVRRESA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CC[C@H](C)c1ccccc1)C[C@H](C)OC ZINC000462827337 528585658 /nfs/dbraw/zinc/58/56/58/528585658.db2.gz WJCGSIMXAIUSPT-GJZGRUSLSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CC[C@@H](C)c1ccccc1)C[C@@H](C)OC ZINC000462827338 528585204 /nfs/dbraw/zinc/58/52/04/528585204.db2.gz WJCGSIMXAIUSPT-HUUCEWRRSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CC[C@H](C)c1ccccc1)C[C@@H](C)OC ZINC000462827339 388273080 /nfs/dbraw/zinc/27/30/80/388273080.db2.gz WJCGSIMXAIUSPT-LSDHHAIUSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CCCc1ccc(C)nc1)CC(C)(C)C ZINC000462827342 388272748 /nfs/dbraw/zinc/27/27/48/388272748.db2.gz WMZVEFVLZKHDSH-UHFFFAOYSA-N 1 0 248.414 3.691 20 0 BHADRO CC[N@H+](Cc1sccc1C)CC(C)(C)C ZINC000462827855 388272611 /nfs/dbraw/zinc/27/26/11/388272611.db2.gz RBKCHEXHMSFMKQ-UHFFFAOYSA-N 1 0 225.401 3.925 20 0 BHADRO CC[N@H+](CC(C)(C)C)CC1(SC)CCC1 ZINC000462828016 388273017 /nfs/dbraw/zinc/27/30/17/388273017.db2.gz XVSPYPUSADKIRN-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](Cc1sccc1OC)CC(C)(C)C ZINC000462828136 388272597 /nfs/dbraw/zinc/27/25/97/388272597.db2.gz TWHFRITVAYMHHE-UHFFFAOYSA-N 1 0 241.400 3.625 20 0 BHADRO CCC(CC)C[NH+]1CC(c2ccccc2F)C1 ZINC000462828440 388273007 /nfs/dbraw/zinc/27/30/07/388273007.db2.gz WAFNHAAGBIXXFW-UHFFFAOYSA-N 1 0 235.346 3.661 20 0 BHADRO CC[N@H+](CCCc1cnccc1C)CC(C)(C)C ZINC000462828660 388272974 /nfs/dbraw/zinc/27/29/74/388272974.db2.gz YDRCTTVYGJTYMG-UHFFFAOYSA-N 1 0 248.414 3.691 20 0 BHADRO CC(C)CCC[NH+]1CC(c2ccccc2F)C1 ZINC000462828803 388272587 /nfs/dbraw/zinc/27/25/87/388272587.db2.gz QMNISQXPKUZHBN-UHFFFAOYSA-N 1 0 235.346 3.661 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)o1)CC(C)(C)C ZINC000462829168 388272582 /nfs/dbraw/zinc/27/25/82/388272582.db2.gz XRTWEEYCSLASKJ-UHFFFAOYSA-N 1 0 229.751 3.801 20 0 BHADRO CC[C@H]1C[C@@H](C[N@H+](CC)CC(C)(C)C)CCO1 ZINC000462832099 388272814 /nfs/dbraw/zinc/27/28/14/388272814.db2.gz JPNJXKCZADAKDF-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H]1C[C@H](C[N@H+](CC)CC(C)(C)C)CCO1 ZINC000462832100 388272809 /nfs/dbraw/zinc/27/28/09/388272809.db2.gz JPNJXKCZADAKDF-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](CC)CC(C)(C)C)CCO1 ZINC000462832101 388272345 /nfs/dbraw/zinc/27/23/45/388272345.db2.gz JPNJXKCZADAKDF-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](CC)CC(C)(C)C)CCO1 ZINC000462832102 388272519 /nfs/dbraw/zinc/27/25/19/388272519.db2.gz JPNJXKCZADAKDF-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](Cc1cccc(COC)c1)CC(C)(C)C ZINC000462832551 388272829 /nfs/dbraw/zinc/27/28/29/388272829.db2.gz LXIKNAWVQCPJKN-UHFFFAOYSA-N 1 0 249.398 3.701 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CCCCF)cc2c(C)c1 ZINC000462852178 388273323 /nfs/dbraw/zinc/27/33/23/388273323.db2.gz CKMGDJUVAMBQMT-UHFFFAOYSA-N 1 0 248.345 3.624 20 0 BHADRO FCCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000462857822 388273309 /nfs/dbraw/zinc/27/33/09/388273309.db2.gz WXBHDKOWNSYARG-UHFFFAOYSA-N 1 0 247.313 3.786 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]CCCCF ZINC000462863100 388273526 /nfs/dbraw/zinc/27/35/26/388273526.db2.gz YQPSKGZEJDKREA-AWEZNQCLSA-N 1 0 237.362 3.595 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]CCCCF ZINC000462863101 533990473 /nfs/dbraw/zinc/99/04/73/533990473.db2.gz YQPSKGZEJDKREA-CQSZACIVSA-N 1 0 237.362 3.595 20 0 BHADRO CC(C)c1ccc(CC[NH2+]CCCCF)cc1 ZINC000462870955 388273606 /nfs/dbraw/zinc/27/36/06/388273606.db2.gz MGQOWAIKKFRSRG-UHFFFAOYSA-N 1 0 237.362 3.692 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CCCCF)cc2c1C ZINC000462870974 388273703 /nfs/dbraw/zinc/27/37/03/388273703.db2.gz MPXZPDFYUTXMBV-UHFFFAOYSA-N 1 0 248.345 3.624 20 0 BHADRO CCC[C@@H](C[NH2+]CCCCF)c1ccccc1 ZINC000462876164 388273858 /nfs/dbraw/zinc/27/38/58/388273858.db2.gz VEONCGBSELXGDN-HNNXBMFYSA-N 1 0 237.362 3.910 20 0 BHADRO CCC[C@H](C[NH2+]CCCCF)c1ccccc1 ZINC000462876165 388272532 /nfs/dbraw/zinc/27/25/32/388272532.db2.gz VEONCGBSELXGDN-OAHLLOKOSA-N 1 0 237.362 3.910 20 0 BHADRO Cc1cc2cc(C[NH2+]CCCCF)oc2cc1C ZINC000462877238 388273807 /nfs/dbraw/zinc/27/38/07/388273807.db2.gz ZIVXTOIQJJOUAH-UHFFFAOYSA-N 1 0 249.329 3.889 20 0 BHADRO C=Cc1ccc(CC[NH2+]CC2(C)CCC2)cc1 ZINC000462903461 491087082 /nfs/dbraw/zinc/08/70/82/491087082.db2.gz AFIILXZHLCOWAW-UHFFFAOYSA-N 1 0 229.367 3.652 20 0 BHADRO C[C@H](CF)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462905889 411344088 /nfs/dbraw/zinc/34/40/88/411344088.db2.gz FXUQQQHTSIEVTC-GFCCVEGCSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@@H](CF)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462905890 411344186 /nfs/dbraw/zinc/34/41/86/411344186.db2.gz FXUQQQHTSIEVTC-LBPRGKRZSA-N 1 0 235.346 3.792 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2occc2C)cc1 ZINC000462906317 411344590 /nfs/dbraw/zinc/34/45/90/411344590.db2.gz LEZQOCXCLNYRDY-UHFFFAOYSA-N 1 0 241.334 3.563 20 0 BHADRO C=Cc1ccc(CC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000462907874 411344521 /nfs/dbraw/zinc/34/45/21/411344521.db2.gz VCYWCXLQJMAVPB-KRWDZBQOSA-N 1 0 241.378 3.818 20 0 BHADRO C=Cc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000462907875 411344484 /nfs/dbraw/zinc/34/44/84/411344484.db2.gz VCYWCXLQJMAVPB-QGZVFWFLSA-N 1 0 241.378 3.818 20 0 BHADRO Cc1cc(CC[NH2+]Cc2ccco2)ccc1Cl ZINC000462908620 411344259 /nfs/dbraw/zinc/34/42/59/411344259.db2.gz BXDILGSPQJNNEC-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2cccs2)cc1 ZINC000462910169 411344382 /nfs/dbraw/zinc/34/43/82/411344382.db2.gz CPPIKIZSYXNURI-UHFFFAOYSA-N 1 0 243.375 3.723 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2ccsc2)cc1 ZINC000462911258 411344708 /nfs/dbraw/zinc/34/47/08/411344708.db2.gz GOBZILNERRKCTC-UHFFFAOYSA-N 1 0 243.375 3.723 20 0 BHADRO C=Cc1ccc(CC[NH2+]Cc2ccc(C)o2)cc1 ZINC000462915017 398012040 /nfs/dbraw/zinc/01/20/40/398012040.db2.gz UZBNIFKEEREDLW-UHFFFAOYSA-N 1 0 241.334 3.563 20 0 BHADRO CCCCN(CC)c1ccnc2ccsc21 ZINC000462919934 398011917 /nfs/dbraw/zinc/01/19/17/398011917.db2.gz USTWSMZZMSDJJO-UHFFFAOYSA-N 1 0 234.368 3.923 20 0 BHADRO c1[nH+]c(N[C@H]2CC[C@@H]2C2CC2)cc2c1CCCC2 ZINC000462940407 397935644 /nfs/dbraw/zinc/93/56/44/397935644.db2.gz HNJYQKUTUUPMAF-CABCVRRESA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@H]2CC[C@H]2C2CC2)cc2c1CCCC2 ZINC000462940408 397935359 /nfs/dbraw/zinc/93/53/59/397935359.db2.gz HNJYQKUTUUPMAF-GJZGRUSLSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CC[C@@H]2C2CC2)cc2c1CCCC2 ZINC000462940409 397935388 /nfs/dbraw/zinc/93/53/88/397935388.db2.gz HNJYQKUTUUPMAF-HUUCEWRRSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CC[C@H]2C2CC2)cc2c1CCCC2 ZINC000462940410 397935301 /nfs/dbraw/zinc/93/53/01/397935301.db2.gz HNJYQKUTUUPMAF-LSDHHAIUSA-N 1 0 242.366 3.561 20 0 BHADRO C[C@H](CC1CC1)Nc1cc2c(c[nH+]1)CCCC2 ZINC000462949585 388275147 /nfs/dbraw/zinc/27/51/47/388275147.db2.gz YCIKOXTZIBCRNU-LLVKDONJSA-N 1 0 230.355 3.561 20 0 BHADRO C[C@@H](CC1CC1)Nc1cc2c(c[nH+]1)CCCC2 ZINC000462949586 388275179 /nfs/dbraw/zinc/27/51/79/388275179.db2.gz YCIKOXTZIBCRNU-NSHDSACASA-N 1 0 230.355 3.561 20 0 BHADRO CC[C@H](Nc1cc2c(c[nH+]1)CCCC2)C1CC1 ZINC000462958324 388275008 /nfs/dbraw/zinc/27/50/08/388275008.db2.gz POKDSXLCKCQVFR-AWEZNQCLSA-N 1 0 230.355 3.561 20 0 BHADRO CC[C@@H](Nc1cc2c(c[nH+]1)CCCC2)C1CC1 ZINC000462958325 388275168 /nfs/dbraw/zinc/27/51/68/388275168.db2.gz POKDSXLCKCQVFR-CQSZACIVSA-N 1 0 230.355 3.561 20 0 BHADRO CC(C)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463016199 527919168 /nfs/dbraw/zinc/91/91/68/527919168.db2.gz ZBMMRTZDWJATTJ-MNOVXSKESA-N 1 0 237.309 3.695 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463023918 388275971 /nfs/dbraw/zinc/27/59/71/388275971.db2.gz JFXKHOHXAGKPGS-HUBLWGQQSA-N 1 0 247.382 3.923 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463023919 388275428 /nfs/dbraw/zinc/27/54/28/388275428.db2.gz JFXKHOHXAGKPGS-SLEUVZQESA-N 1 0 247.382 3.923 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463023920 224953005 /nfs/dbraw/zinc/95/30/05/224953005.db2.gz JFXKHOHXAGKPGS-TYNCELHUSA-N 1 0 247.382 3.923 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463023921 224951477 /nfs/dbraw/zinc/95/14/77/224951477.db2.gz JFXKHOHXAGKPGS-XUJVJEKNSA-N 1 0 247.382 3.923 20 0 BHADRO Fc1ccccc1C1C[NH+](C[C@@H]2CC=CCC2)C1 ZINC000463027537 388275450 /nfs/dbraw/zinc/27/54/50/388275450.db2.gz HITDWVGVRNESRX-CYBMUJFWSA-N 1 0 245.341 3.581 20 0 BHADRO Fc1ccccc1C1C[NH+](C[C@H]2CC=CCC2)C1 ZINC000463027540 388275419 /nfs/dbraw/zinc/27/54/19/388275419.db2.gz HITDWVGVRNESRX-ZDUSSCGKSA-N 1 0 245.341 3.581 20 0 BHADRO CCC[C@@H](C)C[NH+]1CC(c2ccccc2F)C1 ZINC000463028248 388275795 /nfs/dbraw/zinc/27/57/95/388275795.db2.gz MCIHTLCZHQHGNZ-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO CCC[C@H](C)C[NH+]1CC(c2ccccc2F)C1 ZINC000463028249 388276028 /nfs/dbraw/zinc/27/60/28/388276028.db2.gz MCIHTLCZHQHGNZ-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO CC(C)(C)CC[NH+]1CC(c2ccccc2F)C1 ZINC000463032090 388276984 /nfs/dbraw/zinc/27/69/84/388276984.db2.gz FPOXIYNFUSOGJF-UHFFFAOYSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463037803 388276612 /nfs/dbraw/zinc/27/66/12/388276612.db2.gz OESSOPYVLLBTMV-KKOKHZNYSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463037804 388276731 /nfs/dbraw/zinc/27/67/31/388276731.db2.gz OESSOPYVLLBTMV-KXNHARMFSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463037805 388276704 /nfs/dbraw/zinc/27/67/04/388276704.db2.gz OESSOPYVLLBTMV-QCNOEVLYSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463037806 388276979 /nfs/dbraw/zinc/27/69/79/388276979.db2.gz OESSOPYVLLBTMV-YFKTTZPYSA-N 1 0 249.320 3.695 20 0 BHADRO CCC1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463068368 527868771 /nfs/dbraw/zinc/86/87/71/527868771.db2.gz GGBQOMQIABDNSG-CVEARBPZSA-N 1 0 229.367 3.665 20 0 BHADRO CCC1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463068369 388276991 /nfs/dbraw/zinc/27/69/91/388276991.db2.gz GGBQOMQIABDNSG-HOTGVXAUSA-N 1 0 229.367 3.665 20 0 BHADRO CCC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463068370 388276465 /nfs/dbraw/zinc/27/64/65/388276465.db2.gz GGBQOMQIABDNSG-HZPDHXFCSA-N 1 0 229.367 3.665 20 0 BHADRO CCC1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463068371 388276560 /nfs/dbraw/zinc/27/65/60/388276560.db2.gz GGBQOMQIABDNSG-JKSUJKDBSA-N 1 0 229.367 3.665 20 0 BHADRO CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463071699 388276746 /nfs/dbraw/zinc/27/67/46/388276746.db2.gz BCJIESMQMBEPJD-HOTGVXAUSA-N 1 0 229.367 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000463072465 388276805 /nfs/dbraw/zinc/27/68/05/388276805.db2.gz VOPUCJMYILENET-HOTGVXAUSA-N 1 0 229.367 3.666 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000463073670 388276145 /nfs/dbraw/zinc/27/61/45/388276145.db2.gz JFUVEIXRQXMKAS-RDJZCZTQSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463074464 388276359 /nfs/dbraw/zinc/27/63/59/388276359.db2.gz SATYQRCCFBEVJB-BPUTZDHNSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463074465 388276969 /nfs/dbraw/zinc/27/69/69/388276969.db2.gz SATYQRCCFBEVJB-KBMXLJTQSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463074470 388276218 /nfs/dbraw/zinc/27/62/18/388276218.db2.gz SCMSKFZEEVBNAE-BPUTZDHNSA-N 1 0 231.383 3.911 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463074471 388276151 /nfs/dbraw/zinc/27/61/51/388276151.db2.gz SCMSKFZEEVBNAE-KBMXLJTQSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463074945 388276864 /nfs/dbraw/zinc/27/68/64/388276864.db2.gz VYFVSNZFSASYIO-BPUTZDHNSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463074946 388276535 /nfs/dbraw/zinc/27/65/35/388276535.db2.gz VYFVSNZFSASYIO-KBMXLJTQSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463075238 388276813 /nfs/dbraw/zinc/27/68/13/388276813.db2.gz OFOCSJPHIPCFKR-JYJNAYRXSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463075239 388276418 /nfs/dbraw/zinc/27/64/18/388276418.db2.gz OFOCSJPHIPCFKR-XHSDSOJGSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@H+](CC(C)C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463075489 527963563 /nfs/dbraw/zinc/96/35/63/527963563.db2.gz ZMISKPWXWDZVPW-HOTGVXAUSA-N 1 0 231.383 3.768 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463075545 388276998 /nfs/dbraw/zinc/27/69/98/388276998.db2.gz ZYYAVVGGLYQWGD-GJZGRUSLSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000463076241 388276251 /nfs/dbraw/zinc/27/62/51/388276251.db2.gz IVAZDAKGLMOUPP-CABCVRRESA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000463076242 388276699 /nfs/dbraw/zinc/27/66/99/388276699.db2.gz IVAZDAKGLMOUPP-GJZGRUSLSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000463076243 388276856 /nfs/dbraw/zinc/27/68/56/388276856.db2.gz IVAZDAKGLMOUPP-HUUCEWRRSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463076244 388276285 /nfs/dbraw/zinc/27/62/85/388276285.db2.gz IVAZDAKGLMOUPP-LSDHHAIUSA-N 1 0 229.367 3.665 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463077779 388276966 /nfs/dbraw/zinc/27/69/66/388276966.db2.gz SUYTVJPTZPOGDE-BPUTZDHNSA-N 1 0 231.383 3.766 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463077780 388276439 /nfs/dbraw/zinc/27/64/39/388276439.db2.gz SUYTVJPTZPOGDE-KBMXLJTQSA-N 1 0 231.383 3.766 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CCCC1 ZINC000463078642 388276481 /nfs/dbraw/zinc/27/64/81/388276481.db2.gz YYCWLXBSSFPXPV-IRXDYDNUSA-N 1 0 243.394 3.912 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463080200 388087386 /nfs/dbraw/zinc/08/73/86/388087386.db2.gz TXFWASPTTTWBCF-BPUTZDHNSA-N 1 0 231.383 3.768 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463080201 388087120 /nfs/dbraw/zinc/08/71/20/388087120.db2.gz TXFWASPTTTWBCF-KBMXLJTQSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463081253 388087690 /nfs/dbraw/zinc/08/76/90/388087690.db2.gz JVZCORORQGRBPE-ULQDDVLXSA-N 1 0 243.394 3.911 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463081254 388086833 /nfs/dbraw/zinc/08/68/33/388086833.db2.gz JVZCORORQGRBPE-YESZJQIVSA-N 1 0 243.394 3.911 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463083212 388087637 /nfs/dbraw/zinc/08/76/37/388087637.db2.gz QKIWZMBMDJSAMY-IRXDYDNUSA-N 1 0 243.394 3.912 20 0 BHADRO CCC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000463083511 388086835 /nfs/dbraw/zinc/08/68/35/388086835.db2.gz GSRKAUDIRIZONN-HOCLYGCPSA-N 1 0 229.367 3.665 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000463084606 527990622 /nfs/dbraw/zinc/99/06/22/527990622.db2.gz OFLUNQMYFTXWIT-GJZGRUSLSA-N 1 0 231.383 3.958 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC(C)(C)C ZINC000463085306 529958227 /nfs/dbraw/zinc/95/82/27/529958227.db2.gz YKBQDYUNTVHNQJ-GJZGRUSLSA-N 1 0 231.383 3.768 20 0 BHADRO CC1(C)CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463086491 529013023 /nfs/dbraw/zinc/01/30/23/529013023.db2.gz OGGHIFWCZAJQIE-CABCVRRESA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463086492 529012240 /nfs/dbraw/zinc/01/22/40/529012240.db2.gz OGGHIFWCZAJQIE-GJZGRUSLSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463086493 529013278 /nfs/dbraw/zinc/01/32/78/529013278.db2.gz OGGHIFWCZAJQIE-HUUCEWRRSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463086494 529013009 /nfs/dbraw/zinc/01/30/09/529013009.db2.gz OGGHIFWCZAJQIE-LSDHHAIUSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000463086969 529299060 /nfs/dbraw/zinc/29/90/60/529299060.db2.gz JNRULRCYEVNBNV-BMFZPTHFSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000463086970 529299181 /nfs/dbraw/zinc/29/91/81/529299181.db2.gz JNRULRCYEVNBNV-FVQBIDKESA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000463086971 529299166 /nfs/dbraw/zinc/29/91/66/529299166.db2.gz JNRULRCYEVNBNV-KBMXLJTQSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463086972 529299011 /nfs/dbraw/zinc/29/90/11/529299011.db2.gz JNRULRCYEVNBNV-VNQPRFMTSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463088055 529400858 /nfs/dbraw/zinc/40/08/58/529400858.db2.gz NFMOTDYCKDSGNX-ARFHVFGLSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000463088056 529400812 /nfs/dbraw/zinc/40/08/12/529400812.db2.gz NFMOTDYCKDSGNX-BZUAXINKSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000463088057 529400883 /nfs/dbraw/zinc/40/08/83/529400883.db2.gz NFMOTDYCKDSGNX-HRCADAONSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000463088058 529400972 /nfs/dbraw/zinc/40/09/72/529400972.db2.gz NFMOTDYCKDSGNX-OWCLPIDISA-N 1 0 229.367 3.665 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463090236 528538955 /nfs/dbraw/zinc/53/89/55/528538955.db2.gz FZUXXOPXTOIGPB-GJZGRUSLSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463094200 533740768 /nfs/dbraw/zinc/74/07/68/533740768.db2.gz OCSVFCCMKACAQP-SDADXPQNSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463094201 229176254 /nfs/dbraw/zinc/17/62/54/229176254.db2.gz OCSVFCCMKACAQP-VDERGJSUSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463094202 534227664 /nfs/dbraw/zinc/22/76/64/534227664.db2.gz OCSVFCCMKACAQP-XRGAULLZSA-N 1 0 229.367 3.663 20 0 BHADRO CC1(C)CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463100218 529010294 /nfs/dbraw/zinc/01/02/94/529010294.db2.gz WZKNTUJICIKUTO-GJZGRUSLSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463103545 529239037 /nfs/dbraw/zinc/23/90/37/529239037.db2.gz VPBQZHKYHZWUDM-BPUTZDHNSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463103546 529326579 /nfs/dbraw/zinc/32/65/79/529326579.db2.gz VPBQZHKYHZWUDM-KBMXLJTQSA-N 1 0 229.367 3.522 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000463103553 528700010 /nfs/dbraw/zinc/70/00/10/528700010.db2.gz VTLWWGDUKXBUMB-BZUAXINKSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000463103554 528699739 /nfs/dbraw/zinc/69/97/39/528699739.db2.gz VTLWWGDUKXBUMB-OAGGEKHMSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463103555 528699651 /nfs/dbraw/zinc/69/96/51/528699651.db2.gz VTLWWGDUKXBUMB-OWCLPIDISA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000463103556 528699962 /nfs/dbraw/zinc/69/99/62/528699962.db2.gz VTLWWGDUKXBUMB-PMPSAXMXSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463103809 528698614 /nfs/dbraw/zinc/69/86/14/528698614.db2.gz XROFVMGODBVDNB-IKGGRYGDSA-N 1 0 243.394 3.768 20 0 BHADRO CC(C)[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463103811 527800028 /nfs/dbraw/zinc/80/00/28/527800028.db2.gz XROFVMGODBVDNB-ULQDDVLXSA-N 1 0 243.394 3.768 20 0 BHADRO C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC000463106041 229175640 /nfs/dbraw/zinc/17/56/40/229175640.db2.gz HVSCEJNKSOMDID-SDADXPQNSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1C ZINC000463106042 229175707 /nfs/dbraw/zinc/17/57/07/229175707.db2.gz HVSCEJNKSOMDID-VDERGJSUSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC000463106043 229176062 /nfs/dbraw/zinc/17/60/62/229176062.db2.gz HVSCEJNKSOMDID-VRKREXBASA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463106044 534232908 /nfs/dbraw/zinc/23/29/08/534232908.db2.gz HVSCEJNKSOMDID-XRGAULLZSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000463106986 229175971 /nfs/dbraw/zinc/17/59/71/229175971.db2.gz PFNUZKLBIGHEAL-BPUTZDHNSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000463106987 534285057 /nfs/dbraw/zinc/28/50/57/534285057.db2.gz PFNUZKLBIGHEAL-KBMXLJTQSA-N 1 0 243.394 3.911 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000463108773 528614693 /nfs/dbraw/zinc/61/46/93/528614693.db2.gz HOZZZUNAXBCDKV-GJZGRUSLSA-N 1 0 231.383 3.958 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000463108826 229175336 /nfs/dbraw/zinc/17/53/36/229175336.db2.gz QHIXYGKBWPISIZ-NCOADZHNSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000463108828 229176355 /nfs/dbraw/zinc/17/63/55/229176355.db2.gz QHIXYGKBWPISIZ-QAETUUGQSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000463108830 534499229 /nfs/dbraw/zinc/49/92/29/534499229.db2.gz QHIXYGKBWPISIZ-VVLHAWIVSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000463108832 229175734 /nfs/dbraw/zinc/17/57/34/229175734.db2.gz QHIXYGKBWPISIZ-YVSFHVDLSA-N 1 0 241.378 3.665 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463110298 229175255 /nfs/dbraw/zinc/17/52/55/229175255.db2.gz YLNSNALWRSOAEC-SDADXPQNSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463110300 229176335 /nfs/dbraw/zinc/17/63/35/229176335.db2.gz YLNSNALWRSOAEC-VDERGJSUSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463110302 229175675 /nfs/dbraw/zinc/17/56/75/229175675.db2.gz YLNSNALWRSOAEC-VRKREXBASA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463110304 533805116 /nfs/dbraw/zinc/80/51/16/533805116.db2.gz YLNSNALWRSOAEC-XRGAULLZSA-N 1 0 229.367 3.520 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463124851 528425390 /nfs/dbraw/zinc/42/53/90/528425390.db2.gz OQARYWQBXJZHDC-IRXDYDNUSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000463145626 388086772 /nfs/dbraw/zinc/08/67/72/388086772.db2.gz MSKNQVRAASFMKL-BFJAYTPKSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000463145627 388087726 /nfs/dbraw/zinc/08/77/26/388087726.db2.gz MSKNQVRAASFMKL-LUYZLQTOSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000463145628 534054745 /nfs/dbraw/zinc/05/47/45/534054745.db2.gz MSKNQVRAASFMKL-OCVGTWLNSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1C ZINC000463145629 388087736 /nfs/dbraw/zinc/08/77/36/388087736.db2.gz MSKNQVRAASFMKL-RRCSTGOVSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463148570 388086765 /nfs/dbraw/zinc/08/67/65/388086765.db2.gz CKLGIMDINWVFCK-COXVUDFISA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463148572 388087173 /nfs/dbraw/zinc/08/71/73/388087173.db2.gz CKLGIMDINWVFCK-JQFCIGGWSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000463159547 388087107 /nfs/dbraw/zinc/08/71/07/388087107.db2.gz YUWUCHIOTUXYHC-COXVUDFISA-N 1 0 237.346 3.893 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000463159548 388087441 /nfs/dbraw/zinc/08/74/41/388087441.db2.gz YUWUCHIOTUXYHC-XOKHGSTOSA-N 1 0 237.346 3.893 20 0 BHADRO CC(C)[NH+](C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000463161158 528926969 /nfs/dbraw/zinc/92/69/69/528926969.db2.gz MLBUBLAJOJLHSW-HOTGVXAUSA-N 1 0 231.383 3.909 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463197173 388088591 /nfs/dbraw/zinc/08/85/91/388088591.db2.gz PNCFYCFYKHFCFV-COXVUDFISA-N 1 0 241.378 3.688 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CCC1 ZINC000463197460 388088841 /nfs/dbraw/zinc/08/88/41/388088841.db2.gz AWXMUJNBHOAOSM-IRXDYDNUSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@@H]1CCCC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000463200659 388088140 /nfs/dbraw/zinc/08/81/40/388088140.db2.gz GUUAFAJHSYVNLL-BMFZPTHFSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000463200660 534155194 /nfs/dbraw/zinc/15/51/94/534155194.db2.gz GUUAFAJHSYVNLL-FVQBIDKESA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000463200661 388088429 /nfs/dbraw/zinc/08/84/29/388088429.db2.gz GUUAFAJHSYVNLL-KBMXLJTQSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463200662 388088521 /nfs/dbraw/zinc/08/85/21/388088521.db2.gz GUUAFAJHSYVNLL-VNQPRFMTSA-N 1 0 229.367 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000463210479 388088517 /nfs/dbraw/zinc/08/85/17/388088517.db2.gz DCVQIJSDERLFSZ-IKGGRYGDSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000463210481 388089228 /nfs/dbraw/zinc/08/92/28/388089228.db2.gz DCVQIJSDERLFSZ-IXDOHACOSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000463210483 388088663 /nfs/dbraw/zinc/08/86/63/388088663.db2.gz DCVQIJSDERLFSZ-ULQDDVLXSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000463210486 388088361 /nfs/dbraw/zinc/08/83/61/388088361.db2.gz DCVQIJSDERLFSZ-YESZJQIVSA-N 1 0 241.378 3.665 20 0 BHADRO CC1=C(C)C[N@@H+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463211898 388088490 /nfs/dbraw/zinc/08/84/90/388088490.db2.gz HHYQKMMZVTYQKF-CVEARBPZSA-N 1 0 227.351 3.585 20 0 BHADRO CC1=C(C)C[N@@H+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463211899 388088923 /nfs/dbraw/zinc/08/89/23/388088923.db2.gz HHYQKMMZVTYQKF-HOTGVXAUSA-N 1 0 227.351 3.585 20 0 BHADRO CC1=C(C)C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000463211900 388089080 /nfs/dbraw/zinc/08/90/80/388089080.db2.gz HHYQKMMZVTYQKF-HZPDHXFCSA-N 1 0 227.351 3.585 20 0 BHADRO CC1=C(C)C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463211901 388088376 /nfs/dbraw/zinc/08/83/76/388088376.db2.gz HHYQKMMZVTYQKF-JKSUJKDBSA-N 1 0 227.351 3.585 20 0 BHADRO CC1=C(C)C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463214514 388089161 /nfs/dbraw/zinc/08/91/61/388089161.db2.gz LJPGNODSXMJURN-IRXDYDNUSA-N 1 0 241.378 3.832 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463216307 388089829 /nfs/dbraw/zinc/08/98/29/388089829.db2.gz UICNTPMJMPIUAD-HJWJTTGWSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463216308 388090259 /nfs/dbraw/zinc/09/02/59/388090259.db2.gz UICNTPMJMPIUAD-LLLHUVSDSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000463216309 388089616 /nfs/dbraw/zinc/08/96/16/388089616.db2.gz UICNTPMJMPIUAD-XBVQOTNRSA-N 1 0 243.394 3.911 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000463282311 324150970 /nfs/dbraw/zinc/15/09/70/324150970.db2.gz RIVBRPHCVTWGHA-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000463282312 324150914 /nfs/dbraw/zinc/15/09/14/324150914.db2.gz RIVBRPHCVTWGHA-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCCC1CCOCC1 ZINC000463285562 324150923 /nfs/dbraw/zinc/15/09/23/324150923.db2.gz GEOLOWDKUGQMNM-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCCC1CCOCC1 ZINC000463285563 324150941 /nfs/dbraw/zinc/15/09/41/324150941.db2.gz GEOLOWDKUGQMNM-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC[N@H+](CCCC1CCOCC1)[C@@H](C)C(C)C ZINC000463286240 398013229 /nfs/dbraw/zinc/01/32/29/398013229.db2.gz ZZPFDFGTUGPXPE-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCCC1CCOCC1)[C@H](C)C(C)C ZINC000463286241 398012509 /nfs/dbraw/zinc/01/25/09/398012509.db2.gz ZZPFDFGTUGPXPE-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCC1CCOCC1 ZINC000463292660 398013221 /nfs/dbraw/zinc/01/32/21/398013221.db2.gz XLBBWZVKQUMTTP-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCOCC1)C(C)(C)C ZINC000463302842 398012888 /nfs/dbraw/zinc/01/28/88/398012888.db2.gz SSJJYFMQKYPQKA-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCOCC1)C(C)(C)C ZINC000463302844 398013296 /nfs/dbraw/zinc/01/32/96/398013296.db2.gz SSJJYFMQKYPQKA-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[N@H+](C[C@H](OC)c1ccccc1)CC(C)(C)C ZINC000463358046 388090967 /nfs/dbraw/zinc/09/09/67/388090967.db2.gz CRBSZMPMUQYOBV-HNNXBMFYSA-N 1 0 249.398 3.742 20 0 BHADRO CC[N@H+](C[C@@H](OC)c1ccccc1)CC(C)(C)C ZINC000463358047 388091077 /nfs/dbraw/zinc/09/10/77/388091077.db2.gz CRBSZMPMUQYOBV-OAHLLOKOSA-N 1 0 249.398 3.742 20 0 BHADRO CC[N@H+](C[C@@H]1Cc2ccccc21)CC(C)(C)C ZINC000463358267 388091300 /nfs/dbraw/zinc/09/13/00/388091300.db2.gz LTLLWXDPSWVZKQ-AWEZNQCLSA-N 1 0 231.383 3.694 20 0 BHADRO CC[N@H+](C[C@H]1Cc2ccccc21)CC(C)(C)C ZINC000463358268 388090973 /nfs/dbraw/zinc/09/09/73/388090973.db2.gz LTLLWXDPSWVZKQ-CQSZACIVSA-N 1 0 231.383 3.694 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)CC(C)(C)C ZINC000463367499 259506021 /nfs/dbraw/zinc/50/60/21/259506021.db2.gz GTZCZGLTERKXJX-UHFFFAOYSA-N 1 0 243.435 3.950 20 0 BHADRO CC[N@H+](Cc1nc2ccccc2o1)CC(C)(C)C ZINC000463373432 388090986 /nfs/dbraw/zinc/09/09/86/388090986.db2.gz WLWKAAHNJRKWTD-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO C[N@H+](CCC1CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436856 388090845 /nfs/dbraw/zinc/09/08/45/388090845.db2.gz CDMSZKCACQAKCK-NEPJUHHUSA-N 1 0 249.320 3.839 20 0 BHADRO CCCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463441342 388091236 /nfs/dbraw/zinc/09/12/36/388091236.db2.gz IQQMONXKUQGXOC-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO C[N@H+](CC1CCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463444573 529863285 /nfs/dbraw/zinc/86/32/85/529863285.db2.gz NOSIDOWWBAKQIU-NEPJUHHUSA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463554007 528067625 /nfs/dbraw/zinc/06/76/25/528067625.db2.gz QNQLGTUKWNRSGI-CABCVRRESA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463554008 528067639 /nfs/dbraw/zinc/06/76/39/528067639.db2.gz QNQLGTUKWNRSGI-GJZGRUSLSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463554009 528067596 /nfs/dbraw/zinc/06/75/96/528067596.db2.gz QNQLGTUKWNRSGI-HUUCEWRRSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463554010 528067338 /nfs/dbraw/zinc/06/73/38/528067338.db2.gz QNQLGTUKWNRSGI-LSDHHAIUSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463554022 528555679 /nfs/dbraw/zinc/55/56/79/528555679.db2.gz CGLWIVCSZLJFMJ-CABCVRRESA-N 1 0 231.383 3.958 20 0 BHADRO CCCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463554023 528556041 /nfs/dbraw/zinc/55/60/41/528556041.db2.gz CGLWIVCSZLJFMJ-GJZGRUSLSA-N 1 0 231.383 3.958 20 0 BHADRO CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463554025 528555743 /nfs/dbraw/zinc/55/57/43/528555743.db2.gz CGLWIVCSZLJFMJ-HUUCEWRRSA-N 1 0 231.383 3.958 20 0 BHADRO CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463554028 528556018 /nfs/dbraw/zinc/55/60/18/528556018.db2.gz CGLWIVCSZLJFMJ-LSDHHAIUSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000463561540 229177142 /nfs/dbraw/zinc/17/71/42/229177142.db2.gz AXLNADHEMTWBEJ-APHBMKBZSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000463561541 229177467 /nfs/dbraw/zinc/17/74/67/229177467.db2.gz AXLNADHEMTWBEJ-MAZHCROVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000463561542 229177700 /nfs/dbraw/zinc/17/77/00/229177700.db2.gz AXLNADHEMTWBEJ-RCBQFDQVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000463561543 229177267 /nfs/dbraw/zinc/17/72/67/229177267.db2.gz AXLNADHEMTWBEJ-VBNZEHGJSA-N 1 0 243.394 3.957 20 0 BHADRO CCC(CC)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000463576640 528802079 /nfs/dbraw/zinc/80/20/79/528802079.db2.gz VXSDDECKKZTCDS-UHFFFAOYSA-N 1 0 247.382 3.512 20 0 BHADRO Cc1ccoc1C[NH2+]CCC1=CCCCCC1 ZINC000463696056 229177234 /nfs/dbraw/zinc/17/72/34/229177234.db2.gz BBFDTMDVOFXWPH-UHFFFAOYSA-N 1 0 233.355 3.958 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCCCC2)nc1 ZINC000463697243 229177365 /nfs/dbraw/zinc/17/73/65/229177365.db2.gz HTZLVWNQTULMJQ-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO Cc1ccc(C[NH2+]CCC2=CCCCCC2)o1 ZINC000463698325 388092084 /nfs/dbraw/zinc/09/20/84/388092084.db2.gz MGWNCTZXSZGPCC-UHFFFAOYSA-N 1 0 233.355 3.958 20 0 BHADRO Oc1cccc(C[NH2+]CCC2=CCCCCC2)c1 ZINC000463714192 388092939 /nfs/dbraw/zinc/09/29/39/388092939.db2.gz ATKGURBKNDCHPC-UHFFFAOYSA-N 1 0 245.366 3.762 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C1CCCC1 ZINC000463729080 224959731 /nfs/dbraw/zinc/95/97/31/224959731.db2.gz NNFJAWUPVKNBEJ-UHFFFAOYSA-N 1 0 243.350 3.816 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]CC(C)(C)C ZINC000463732486 224959719 /nfs/dbraw/zinc/95/97/19/224959719.db2.gz XVJBREOSSZGNSG-UHFFFAOYSA-N 1 0 245.366 3.919 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC000463741528 388092675 /nfs/dbraw/zinc/09/26/75/388092675.db2.gz LMMBUVCSQPLUEZ-FVCCEPFGSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[C@@H]1C ZINC000463741529 388092877 /nfs/dbraw/zinc/09/28/77/388092877.db2.gz LMMBUVCSQPLUEZ-MROQNXINSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC000463741530 388092543 /nfs/dbraw/zinc/09/25/43/388092543.db2.gz LMMBUVCSQPLUEZ-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[C@@H]1C ZINC000463741531 534258037 /nfs/dbraw/zinc/25/80/37/534258037.db2.gz LMMBUVCSQPLUEZ-VOAKCMCISA-N 1 0 245.357 3.979 20 0 BHADRO CCCCOc1ccccc1C[NH2+]C1CCC1 ZINC000463744738 528701370 /nfs/dbraw/zinc/70/13/70/528701370.db2.gz JOUGQBXGKHMPNX-UHFFFAOYSA-N 1 0 233.355 3.508 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000464053118 388096162 /nfs/dbraw/zinc/09/61/62/388096162.db2.gz LKDXYKLFDNLLBD-MHEUCROKSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000464053119 224961986 /nfs/dbraw/zinc/96/19/86/224961986.db2.gz LKDXYKLFDNLLBD-MYPMTAMASA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000464053121 388096379 /nfs/dbraw/zinc/09/63/79/388096379.db2.gz LKDXYKLFDNLLBD-SPWCGHHHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000464053122 224962219 /nfs/dbraw/zinc/96/22/19/224962219.db2.gz LKDXYKLFDNLLBD-ZGKBOVNRSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464054182 388096464 /nfs/dbraw/zinc/09/64/64/388096464.db2.gz FBULZZSCOYLIJB-DMRZNYOFSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464054189 388096130 /nfs/dbraw/zinc/09/61/30/388096130.db2.gz FBULZZSCOYLIJB-DTZQCDIJSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464054191 388095917 /nfs/dbraw/zinc/09/59/17/388095917.db2.gz FBULZZSCOYLIJB-MIGQKNRLSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464054193 388095983 /nfs/dbraw/zinc/09/59/83/388095983.db2.gz FBULZZSCOYLIJB-OJLVUWQFSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000464054477 388096428 /nfs/dbraw/zinc/09/64/28/388096428.db2.gz FRKUXSCWFVAZLI-AEGPPILISA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1(C)CC1 ZINC000464054478 224962917 /nfs/dbraw/zinc/96/29/17/224962917.db2.gz FRKUXSCWFVAZLI-CFVMTHIKSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CC2(C)CC2)C[C@H]1c1ccccc1 ZINC000464054479 388095929 /nfs/dbraw/zinc/09/59/29/388095929.db2.gz FRKUXSCWFVAZLI-NWANDNLSSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000464054480 388096076 /nfs/dbraw/zinc/09/60/76/388096076.db2.gz FRKUXSCWFVAZLI-QEJZJMRPSA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464054766 388096128 /nfs/dbraw/zinc/09/61/28/388096128.db2.gz QSDZTZJWNUTUNV-AHNOJICISA-N 1 0 243.394 3.957 20 0 BHADRO CC1CC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464054767 388095919 /nfs/dbraw/zinc/09/59/19/388095919.db2.gz QSDZTZJWNUTUNV-DISOXQEGSA-N 1 0 243.394 3.957 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464054768 388096156 /nfs/dbraw/zinc/09/61/56/388096156.db2.gz QSDZTZJWNUTUNV-GDVJOBBMSA-N 1 0 243.394 3.957 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464054769 388096213 /nfs/dbraw/zinc/09/62/13/388096213.db2.gz QSDZTZJWNUTUNV-UAOKOLBASA-N 1 0 243.394 3.957 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464059196 388095935 /nfs/dbraw/zinc/09/59/35/388095935.db2.gz WSWHNNZCHLEMIM-CABCVRRESA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464059197 388096363 /nfs/dbraw/zinc/09/63/63/388096363.db2.gz WSWHNNZCHLEMIM-GJZGRUSLSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464059198 388095882 /nfs/dbraw/zinc/09/58/82/388095882.db2.gz WSWHNNZCHLEMIM-HUUCEWRRSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464059199 388095933 /nfs/dbraw/zinc/09/59/33/388095933.db2.gz WSWHNNZCHLEMIM-LSDHHAIUSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CCC1 ZINC000464061694 527843394 /nfs/dbraw/zinc/84/33/94/527843394.db2.gz JVISHLVOTJDYKL-CABCVRRESA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)[C@@H]([NH2+]C2CCC2)C[C@H]1c1ccccc1 ZINC000464061695 388096316 /nfs/dbraw/zinc/09/63/16/388096316.db2.gz JVISHLVOTJDYKL-GJZGRUSLSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)[C@H]([NH2+]C2CCC2)C[C@@H]1c1ccccc1 ZINC000464061696 388096178 /nfs/dbraw/zinc/09/61/78/388096178.db2.gz JVISHLVOTJDYKL-HUUCEWRRSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)[C@H]([NH2+]C2CCC2)C[C@H]1c1ccccc1 ZINC000464061697 527867022 /nfs/dbraw/zinc/86/70/22/527867022.db2.gz JVISHLVOTJDYKL-LSDHHAIUSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1CCC1 ZINC000464064846 388096207 /nfs/dbraw/zinc/09/62/07/388096207.db2.gz LWJCAQONAKGXCF-CVEARBPZSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000464064847 388095948 /nfs/dbraw/zinc/09/59/48/388095948.db2.gz LWJCAQONAKGXCF-HOTGVXAUSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@H]([NH2+]CC2CCC2)C[C@@H]1c1ccccc1 ZINC000464064848 388096377 /nfs/dbraw/zinc/09/63/77/388096377.db2.gz LWJCAQONAKGXCF-HZPDHXFCSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000464064849 388096209 /nfs/dbraw/zinc/09/62/09/388096209.db2.gz LWJCAQONAKGXCF-JKSUJKDBSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCC1CC1 ZINC000464067400 538865240 /nfs/dbraw/zinc/86/52/40/538865240.db2.gz OSCYZIHICBCKOQ-CVEARBPZSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@@H]([NH2+]CCC2CC2)C[C@H]1c1ccccc1 ZINC000464067401 538103774 /nfs/dbraw/zinc/10/37/74/538103774.db2.gz OSCYZIHICBCKOQ-HOTGVXAUSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@H]([NH2+]CCC2CC2)C[C@@H]1c1ccccc1 ZINC000464067402 538103645 /nfs/dbraw/zinc/10/36/45/538103645.db2.gz OSCYZIHICBCKOQ-HZPDHXFCSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)[C@H]([NH2+]CCC2CC2)C[C@H]1c1ccccc1 ZINC000464067404 538103781 /nfs/dbraw/zinc/10/37/81/538103781.db2.gz OSCYZIHICBCKOQ-JKSUJKDBSA-N 1 0 243.394 3.958 20 0 BHADRO CCC[N@H+](CCc1cccs1)CC1CCC1 ZINC000464577958 388101562 /nfs/dbraw/zinc/10/15/62/388101562.db2.gz WGTUAYLQQZQXBR-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CC[N@H+](CCCc1ccccc1C)CC1CC1 ZINC000464586720 388101134 /nfs/dbraw/zinc/10/11/34/388101134.db2.gz KQSZJNVIYJYCLD-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO CCC[N@@H+](CCc1cccs1)CCC1CC1 ZINC000464593294 388100902 /nfs/dbraw/zinc/10/09/02/388100902.db2.gz MFKLQKVMSNJQHA-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464724765 388101824 /nfs/dbraw/zinc/10/18/24/388101824.db2.gz JKZXYEHAWSTNID-KRWDZBQOSA-N 1 0 237.346 3.806 20 0 BHADRO CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464724766 388102157 /nfs/dbraw/zinc/10/21/57/388102157.db2.gz JKZXYEHAWSTNID-QGZVFWFLSA-N 1 0 237.346 3.806 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCCCOC ZINC000464732065 388102376 /nfs/dbraw/zinc/10/23/76/388102376.db2.gz GGTZGRUCQPBTBZ-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCCCOC ZINC000464732067 388102395 /nfs/dbraw/zinc/10/23/95/388102395.db2.gz GGTZGRUCQPBTBZ-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCCCOC ZINC000464732068 388102317 /nfs/dbraw/zinc/10/23/17/388102317.db2.gz GGTZGRUCQPBTBZ-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCCOC ZINC000464732070 388101843 /nfs/dbraw/zinc/10/18/43/388101843.db2.gz GGTZGRUCQPBTBZ-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464734941 388101801 /nfs/dbraw/zinc/10/18/01/388101801.db2.gz KVFMIAOUULVTKI-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464734942 388102622 /nfs/dbraw/zinc/10/26/22/388102622.db2.gz KVFMIAOUULVTKI-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464734943 388102100 /nfs/dbraw/zinc/10/21/00/388102100.db2.gz KVFMIAOUULVTKI-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464734944 388102362 /nfs/dbraw/zinc/10/23/62/388102362.db2.gz KVFMIAOUULVTKI-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCSC ZINC000464741231 388102306 /nfs/dbraw/zinc/10/23/06/388102306.db2.gz RPJANFCXTDOTAD-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCSC ZINC000464741232 388101819 /nfs/dbraw/zinc/10/18/19/388101819.db2.gz RPJANFCXTDOTAD-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCSC ZINC000464741233 388101875 /nfs/dbraw/zinc/10/18/75/388101875.db2.gz RPJANFCXTDOTAD-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCSC ZINC000464741234 388102125 /nfs/dbraw/zinc/10/21/25/388102125.db2.gz RPJANFCXTDOTAD-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCOC(C)C ZINC000464743620 388102297 /nfs/dbraw/zinc/10/22/97/388102297.db2.gz ZROZGUNHKLZLGW-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCOC(C)C ZINC000464743621 388102016 /nfs/dbraw/zinc/10/20/16/388102016.db2.gz ZROZGUNHKLZLGW-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCOC(C)C ZINC000464743622 388101793 /nfs/dbraw/zinc/10/17/93/388101793.db2.gz ZROZGUNHKLZLGW-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOC(C)C ZINC000464743623 388101948 /nfs/dbraw/zinc/10/19/48/388101948.db2.gz ZROZGUNHKLZLGW-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO C[N@@H+](CCc1cccs1)CCC1CCCC1 ZINC000464759886 388103755 /nfs/dbraw/zinc/10/37/55/388103755.db2.gz ABJDCOUOGNRNMB-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CCCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763840 388103981 /nfs/dbraw/zinc/10/39/81/388103981.db2.gz SEFRDECNPFXMLE-AWEZNQCLSA-N 1 0 249.423 3.901 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763841 388104016 /nfs/dbraw/zinc/10/40/16/388104016.db2.gz SEFRDECNPFXMLE-CQSZACIVSA-N 1 0 249.423 3.901 20 0 BHADRO CC(C)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464767365 388103710 /nfs/dbraw/zinc/10/37/10/388103710.db2.gz WJDICSSBVUYSRS-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000464767978 388102949 /nfs/dbraw/zinc/10/29/49/388102949.db2.gz GCBMJRJMYKUXGH-CHWSQXEVSA-N 1 0 229.433 3.783 20 0 BHADRO CCCCC[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000464768479 388102969 /nfs/dbraw/zinc/10/29/69/388102969.db2.gz GCBMJRJMYKUXGH-OLZOCXBDSA-N 1 0 229.433 3.783 20 0 BHADRO CCCCC[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000464768480 388102929 /nfs/dbraw/zinc/10/29/29/388102929.db2.gz GCBMJRJMYKUXGH-QWHCGFSZSA-N 1 0 229.433 3.783 20 0 BHADRO CCCCC[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000464768481 388102946 /nfs/dbraw/zinc/10/29/46/388102946.db2.gz GCBMJRJMYKUXGH-STQMWFEESA-N 1 0 229.433 3.783 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000464768482 388101928 /nfs/dbraw/zinc/10/19/28/388101928.db2.gz GCTCSAVEJWQXHR-HNNXBMFYSA-N 1 0 249.423 3.568 20 0 BHADRO Cc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000464768483 388102668 /nfs/dbraw/zinc/10/26/68/388102668.db2.gz GCTCSAVEJWQXHR-OAHLLOKOSA-N 1 0 249.423 3.568 20 0 BHADRO CCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464768699 388102966 /nfs/dbraw/zinc/10/29/66/388102966.db2.gz YTZYIIVLXJRXLC-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2ccccc2F)C1 ZINC000464769006 388103457 /nfs/dbraw/zinc/10/34/57/388103457.db2.gz BHJJIUJFEABKPQ-HNNXBMFYSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccccc2F)C1 ZINC000464769007 388103942 /nfs/dbraw/zinc/10/39/42/388103942.db2.gz BHJJIUJFEABKPQ-OAHLLOKOSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC000464770316 323075714 /nfs/dbraw/zinc/07/57/14/323075714.db2.gz FGELHXUKFLOZBP-AWEZNQCLSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC000464770317 323075659 /nfs/dbraw/zinc/07/56/59/323075659.db2.gz FGELHXUKFLOZBP-CQSZACIVSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCOc2ccccc2)C1 ZINC000464772567 388103324 /nfs/dbraw/zinc/10/33/24/388103324.db2.gz HNJIYZBHRWSJQQ-INIZCTEOSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCOc2ccccc2)C1 ZINC000464772568 388103675 /nfs/dbraw/zinc/10/36/75/388103675.db2.gz HNJIYZBHRWSJQQ-MRXNPFEDSA-N 1 0 247.382 3.578 20 0 BHADRO CC(C)[C@@H]1C[N@H+](CC2CCCCC2)CCS1 ZINC000464772777 388102976 /nfs/dbraw/zinc/10/29/76/388102976.db2.gz MJVWUTJCXBWDHM-AWEZNQCLSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)[C@H]1C[N@H+](CC2CCCCC2)CCS1 ZINC000464772778 388103056 /nfs/dbraw/zinc/10/30/56/388103056.db2.gz MJVWUTJCXBWDHM-CQSZACIVSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000464773623 388103170 /nfs/dbraw/zinc/10/31/70/388103170.db2.gz JIPPQQZXFXIELU-HNNXBMFYSA-N 1 0 217.356 3.699 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000464773624 388103005 /nfs/dbraw/zinc/10/30/05/388103005.db2.gz JIPPQQZXFXIELU-OAHLLOKOSA-N 1 0 217.356 3.699 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000464774701 388103035 /nfs/dbraw/zinc/10/30/35/388103035.db2.gz PYBUNZDMNZJYCQ-HNNXBMFYSA-N 1 0 249.423 3.568 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000464774702 388103631 /nfs/dbraw/zinc/10/36/31/388103631.db2.gz PYBUNZDMNZJYCQ-OAHLLOKOSA-N 1 0 249.423 3.568 20 0 BHADRO CC(C)[C@@H]1C[N@H+](CCC2CCCC2)CCS1 ZINC000464775881 388103480 /nfs/dbraw/zinc/10/34/80/388103480.db2.gz SEYLINPNCUFERS-AWEZNQCLSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)[C@H]1C[N@H+](CCC2CCCC2)CCS1 ZINC000464775883 527855343 /nfs/dbraw/zinc/85/53/43/527855343.db2.gz SEYLINPNCUFERS-CQSZACIVSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000464779991 388103116 /nfs/dbraw/zinc/10/31/16/388103116.db2.gz SOIFOKSZRMPBHR-HNNXBMFYSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000464779992 388103251 /nfs/dbraw/zinc/10/32/51/388103251.db2.gz SOIFOKSZRMPBHR-OAHLLOKOSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000464780005 388103190 /nfs/dbraw/zinc/10/31/90/388103190.db2.gz SRODQFFQWINTCK-HNNXBMFYSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@]1(C)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000464780006 388103776 /nfs/dbraw/zinc/10/37/76/388103776.db2.gz SRODQFFQWINTCK-OAHLLOKOSA-N 1 0 235.346 3.838 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC000464780156 388103913 /nfs/dbraw/zinc/10/39/13/388103913.db2.gz XRYLTUZOGCCVET-CHWSQXEVSA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC000464780157 388103268 /nfs/dbraw/zinc/10/32/68/388103268.db2.gz XRYLTUZOGCCVET-OLZOCXBDSA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC000464780158 388103653 /nfs/dbraw/zinc/10/36/53/388103653.db2.gz XRYLTUZOGCCVET-QWHCGFSZSA-N 1 0 229.433 3.639 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC000464780159 388103854 /nfs/dbraw/zinc/10/38/54/388103854.db2.gz XRYLTUZOGCCVET-STQMWFEESA-N 1 0 229.433 3.639 20 0 BHADRO Cc1cccc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000464781112 388103288 /nfs/dbraw/zinc/10/32/88/388103288.db2.gz ZNURQDHZZKMISN-HNNXBMFYSA-N 1 0 249.423 3.568 20 0 BHADRO Cc1cccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000464781113 388103699 /nfs/dbraw/zinc/10/36/99/388103699.db2.gz ZNURQDHZZKMISN-OAHLLOKOSA-N 1 0 249.423 3.568 20 0 BHADRO CC[C@@]1(C)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000464782170 388102984 /nfs/dbraw/zinc/10/29/84/388102984.db2.gz VMFQVQXJZJRYQB-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@]1(C)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000464782172 388103595 /nfs/dbraw/zinc/10/35/95/388103595.db2.gz VMFQVQXJZJRYQB-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000464782173 388102942 /nfs/dbraw/zinc/10/29/42/388102942.db2.gz VMFQVQXJZJRYQB-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000464782175 388102940 /nfs/dbraw/zinc/10/29/40/388102940.db2.gz VMFQVQXJZJRYQB-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO CC[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000464782637 388103971 /nfs/dbraw/zinc/10/39/71/388103971.db2.gz YYCFVESCBYYJTO-HNNXBMFYSA-N 1 0 217.356 3.850 20 0 BHADRO CC[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000464782638 388103027 /nfs/dbraw/zinc/10/30/27/388103027.db2.gz YYCFVESCBYYJTO-OAHLLOKOSA-N 1 0 217.356 3.850 20 0 BHADRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2C)CCS1 ZINC000464786086 388103889 /nfs/dbraw/zinc/10/38/89/388103889.db2.gz KIWBAVXQPGOEOO-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2C)CCS1 ZINC000464786087 388103409 /nfs/dbraw/zinc/10/34/09/388103409.db2.gz KIWBAVXQPGOEOO-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2)CCS1 ZINC000464786176 388103062 /nfs/dbraw/zinc/10/30/62/388103062.db2.gz VWVTZDIUUBPYOB-HNNXBMFYSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)CCS1 ZINC000464786177 388103615 /nfs/dbraw/zinc/10/36/15/388103615.db2.gz VWVTZDIUUBPYOB-OAHLLOKOSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@H]1C[N@H+](Cc2c(C)cccc2C)CCS1 ZINC000464787186 388103136 /nfs/dbraw/zinc/10/31/36/388103136.db2.gz YINZMHJQGYFWDE-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2C)CCS1 ZINC000464787187 388104013 /nfs/dbraw/zinc/10/40/13/388104013.db2.gz YINZMHJQGYFWDE-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@H](CC)C1 ZINC000464787444 388103899 /nfs/dbraw/zinc/10/38/99/388103899.db2.gz ASQNFMDVKKTBPT-CABCVRRESA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](CC)C1 ZINC000464787445 388103001 /nfs/dbraw/zinc/10/30/01/388103001.db2.gz ASQNFMDVKKTBPT-GJZGRUSLSA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@H](CC)C1 ZINC000464787446 388102944 /nfs/dbraw/zinc/10/29/44/388102944.db2.gz ASQNFMDVKKTBPT-HUUCEWRRSA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](CC)C1 ZINC000464787447 388103667 /nfs/dbraw/zinc/10/36/67/388103667.db2.gz ASQNFMDVKKTBPT-LSDHHAIUSA-N 1 0 249.423 3.965 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@@H](CC)C2)cc1 ZINC000464787750 388102979 /nfs/dbraw/zinc/10/29/79/388102979.db2.gz FDSVPBVZPPJFIH-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@H](CC)C2)cc1 ZINC000464787751 388103815 /nfs/dbraw/zinc/10/38/15/388103815.db2.gz FDSVPBVZPPJFIH-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO CC[C@@H]1C[N@H+](CCC(C)(C)CC)CCS1 ZINC000464787850 388103564 /nfs/dbraw/zinc/10/35/64/388103564.db2.gz FKYRGAROAFCZKX-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1C[N@H+](CCC(C)(C)CC)CCS1 ZINC000464787851 529291232 /nfs/dbraw/zinc/29/12/32/529291232.db2.gz FKYRGAROAFCZKX-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC(C)(C)C1 ZINC000464788994 388103877 /nfs/dbraw/zinc/10/38/77/388103877.db2.gz BOAFLPJNEAFMJB-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC(C)(C)C1 ZINC000464788995 388103549 /nfs/dbraw/zinc/10/35/49/388103549.db2.gz BOAFLPJNEAFMJB-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)CCS1 ZINC000464789546 388103355 /nfs/dbraw/zinc/10/33/55/388103355.db2.gz OSXDIBBCMXVWHX-DZGCQCFKSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)CCS1 ZINC000464789550 388103151 /nfs/dbraw/zinc/10/31/51/388103151.db2.gz OSXDIBBCMXVWHX-HIFRSBDPSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)CCS1 ZINC000464789551 388103227 /nfs/dbraw/zinc/10/32/27/388103227.db2.gz OSXDIBBCMXVWHX-UKRRQHHQSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)CCS1 ZINC000464789553 388103723 /nfs/dbraw/zinc/10/37/23/388103723.db2.gz OSXDIBBCMXVWHX-ZFWWWQNUSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000464790062 388103023 /nfs/dbraw/zinc/10/30/23/388103023.db2.gz AVIPSLFYOMNUMI-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC[C@@H]1C[N@H+](C[C@H](C)c2ccccc2)CCS1 ZINC000464790332 388103163 /nfs/dbraw/zinc/10/31/63/388103163.db2.gz QDRPSSLBCAFANF-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@H]1C[N@H+](C[C@@H](C)c2ccccc2)CCS1 ZINC000464790333 388103533 /nfs/dbraw/zinc/10/35/33/388103533.db2.gz QDRPSSLBCAFANF-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@@H]1C[N@H+](C[C@@H](C)c2ccccc2)CCS1 ZINC000464790334 388103861 /nfs/dbraw/zinc/10/38/61/388103861.db2.gz QDRPSSLBCAFANF-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@H]1C[N@H+](C[C@H](C)c2ccccc2)CCS1 ZINC000464790335 388103103 /nfs/dbraw/zinc/10/31/03/388103103.db2.gz QDRPSSLBCAFANF-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO CCc1ccc(CC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000464791318 388103311 /nfs/dbraw/zinc/10/33/11/388103311.db2.gz DXUPUQIHANOWKL-UHFFFAOYSA-N 1 0 231.383 3.523 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464792132 388105094 /nfs/dbraw/zinc/10/50/94/388105094.db2.gz IHXSQNIFIOGGNF-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464792612 388104250 /nfs/dbraw/zinc/10/42/50/388104250.db2.gz WWFGGNRJCXDIQR-HNNXBMFYSA-N 1 0 237.362 3.735 20 0 BHADRO CCC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464792613 388104786 /nfs/dbraw/zinc/10/47/86/388104786.db2.gz WWFGGNRJCXDIQR-OAHLLOKOSA-N 1 0 237.362 3.735 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464792633 388104977 /nfs/dbraw/zinc/10/49/77/388104977.db2.gz IHXSQNIFIOGGNF-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC(C)(C)C1 ZINC000464793483 388104588 /nfs/dbraw/zinc/10/45/88/388104588.db2.gz KGIGWLKWNQVVRG-AWEZNQCLSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC(C)(C)C1 ZINC000464793485 388104921 /nfs/dbraw/zinc/10/49/21/388104921.db2.gz KGIGWLKWNQVVRG-CQSZACIVSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC(C)(C)C1 ZINC000464794202 388105077 /nfs/dbraw/zinc/10/50/77/388105077.db2.gz MGHKAFRBIYRKMI-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC(C)(C)C1 ZINC000464794209 388104326 /nfs/dbraw/zinc/10/43/26/388104326.db2.gz MGHKAFRBIYRKMI-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC000464794690 388104755 /nfs/dbraw/zinc/10/47/55/388104755.db2.gz NJPDILIEFANADW-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC000464794691 388104465 /nfs/dbraw/zinc/10/44/65/388104465.db2.gz NJPDILIEFANADW-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO CC[NH+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464794826 388104984 /nfs/dbraw/zinc/10/49/84/388104984.db2.gz ZTMSERPZDKPJCD-HNNXBMFYSA-N 1 0 237.362 3.735 20 0 BHADRO CC[NH+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464794827 388104907 /nfs/dbraw/zinc/10/49/07/388104907.db2.gz ZTMSERPZDKPJCD-OAHLLOKOSA-N 1 0 237.362 3.735 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000464794935 388104902 /nfs/dbraw/zinc/10/49/02/388104902.db2.gz OGBDYPMFMWFFKG-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC1(C)CC[N@H+](CCCCOc2ccccc2)C1 ZINC000464795083 388104679 /nfs/dbraw/zinc/10/46/79/388104679.db2.gz OMZMHOBIJYNAHG-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC(C)(C)C1 ZINC000464795470 388104685 /nfs/dbraw/zinc/10/46/85/388104685.db2.gz PUEIEGUNVWEDDC-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCC(C)(C)C1 ZINC000464795471 388104947 /nfs/dbraw/zinc/10/49/47/388104947.db2.gz PUEIEGUNVWEDDC-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO CC1(C)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000464796227 388104963 /nfs/dbraw/zinc/10/49/63/388104963.db2.gz AHXZWRGGYFIDHP-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464796474 388105118 /nfs/dbraw/zinc/10/51/18/388105118.db2.gz UJWSPMDXLHEODX-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464796475 388104179 /nfs/dbraw/zinc/10/41/79/388104179.db2.gz UJWSPMDXLHEODX-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CC1(C)CC[N@H+](CCc2ccccc2Cl)C1 ZINC000464796844 388104399 /nfs/dbraw/zinc/10/43/99/388104399.db2.gz WZNPNQYCBNZSRD-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000464797213 388105129 /nfs/dbraw/zinc/10/51/29/388105129.db2.gz XYAHCFCVGMGLCZ-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCC(C)(C)C1 ZINC000464798019 388104578 /nfs/dbraw/zinc/10/45/78/388104578.db2.gz HQBDRQZEGPQCIU-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000464798020 388105027 /nfs/dbraw/zinc/10/50/27/388105027.db2.gz HQIANFNVMHEIPT-LLVKDONJSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000464798022 388104795 /nfs/dbraw/zinc/10/47/95/388104795.db2.gz HQIANFNVMHEIPT-NSHDSACASA-N 1 0 221.319 3.619 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC(C)(C)C2)c1 ZINC000464799721 388105041 /nfs/dbraw/zinc/10/50/41/388105041.db2.gz RPCSHAWDEJDIHC-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC(C)(C)C2)c1 ZINC000464799722 388105110 /nfs/dbraw/zinc/10/51/10/388105110.db2.gz RPCSHAWDEJDIHC-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO CC1(C)CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000464803380 388104890 /nfs/dbraw/zinc/10/48/90/388104890.db2.gz XQSDNWMIFQRYOD-HNNXBMFYSA-N 1 0 229.367 3.796 20 0 BHADRO CC1(C)CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000464803381 388102925 /nfs/dbraw/zinc/10/29/25/388102925.db2.gz XQSDNWMIFQRYOD-OAHLLOKOSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464803460 388104699 /nfs/dbraw/zinc/10/46/99/388104699.db2.gz YQHLTLSXPDYLHH-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464803461 388104063 /nfs/dbraw/zinc/10/40/63/388104063.db2.gz YQHLTLSXPDYLHH-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464803471 388105002 /nfs/dbraw/zinc/10/50/02/388105002.db2.gz YUGBEWUTAYMVDY-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC(C)(C)C1 ZINC000464803472 388105086 /nfs/dbraw/zinc/10/50/86/388105086.db2.gz YUGBEWUTAYMVDY-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCC2)C1 ZINC000464811785 388104909 /nfs/dbraw/zinc/10/49/09/388104909.db2.gz DENNNEBSNMLBFW-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC000464811786 388105024 /nfs/dbraw/zinc/10/50/24/388105024.db2.gz DENNNEBSNMLBFW-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCC1CCCC1 ZINC000464811787 388104203 /nfs/dbraw/zinc/10/42/03/388104203.db2.gz DENNNEBSNMLBFW-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC000464811788 388104196 /nfs/dbraw/zinc/10/41/96/388104196.db2.gz DENNNEBSNMLBFW-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000464811797 388105171 /nfs/dbraw/zinc/10/51/71/388105171.db2.gz IMYPYPADLZRKEJ-KBPBESRZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1 ZINC000464811798 388104230 /nfs/dbraw/zinc/10/42/30/388104230.db2.gz IMYPYPADLZRKEJ-KGLIPLIRSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000464811799 388105180 /nfs/dbraw/zinc/10/51/80/388105180.db2.gz IMYPYPADLZRKEJ-UONOGXRCSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000464811800 388104731 /nfs/dbraw/zinc/10/47/31/388104731.db2.gz IMYPYPADLZRKEJ-ZIAGYGMSSA-N 1 0 217.356 3.615 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000464816547 388104864 /nfs/dbraw/zinc/10/48/64/388104864.db2.gz DLLBADPSSRFYLH-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc(Cl)c1 ZINC000464816548 388104872 /nfs/dbraw/zinc/10/48/72/388104872.db2.gz DLLBADPSSRFYLH-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000464816549 388105104 /nfs/dbraw/zinc/10/51/04/388105104.db2.gz DLLBADPSSRFYLH-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000464816551 388104691 /nfs/dbraw/zinc/10/46/91/388104691.db2.gz DLLBADPSSRFYLH-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO Cc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000464817738 388105082 /nfs/dbraw/zinc/10/50/82/388105082.db2.gz YIUXWIGJFZCMAG-GXTWGEPZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000464817739 388104381 /nfs/dbraw/zinc/10/43/81/388104381.db2.gz YIUXWIGJFZCMAG-JSGCOSHPSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000464817740 388104649 /nfs/dbraw/zinc/10/46/49/388104649.db2.gz YIUXWIGJFZCMAG-OCCSQVGLSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000464817741 388104662 /nfs/dbraw/zinc/10/46/62/388104662.db2.gz YIUXWIGJFZCMAG-TZMCWYRMSA-N 1 0 217.356 3.615 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCCOc2ccccc2)C1 ZINC000464817906 388105133 /nfs/dbraw/zinc/10/51/33/388105133.db2.gz ZFWHYJNIHQBQED-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCCOc2ccccc2)C1 ZINC000464817907 388104608 /nfs/dbraw/zinc/10/46/08/388104608.db2.gz ZFWHYJNIHQBQED-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCCOc2ccccc2)C1 ZINC000464817908 388104632 /nfs/dbraw/zinc/10/46/32/388104632.db2.gz ZFWHYJNIHQBQED-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCOc1ccccc1 ZINC000464817909 388105113 /nfs/dbraw/zinc/10/51/13/388105113.db2.gz ZFWHYJNIHQBQED-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000464821810 388105071 /nfs/dbraw/zinc/10/50/71/388105071.db2.gz JCJVOJVIVJJEFF-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccccc1Cl ZINC000464821811 388105011 /nfs/dbraw/zinc/10/50/11/388105011.db2.gz JCJVOJVIVJJEFF-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000464821812 388104986 /nfs/dbraw/zinc/10/49/86/388104986.db2.gz JCJVOJVIVJJEFF-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000464821813 388104553 /nfs/dbraw/zinc/10/45/53/388104553.db2.gz JCJVOJVIVJJEFF-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCCc2ccccc2)C1 ZINC000464822308 388104154 /nfs/dbraw/zinc/10/41/54/388104154.db2.gz LSBAGTHYHRZKSR-CABCVRRESA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCCc2ccccc2)C1 ZINC000464822309 388105058 /nfs/dbraw/zinc/10/50/58/388105058.db2.gz LSBAGTHYHRZKSR-GJZGRUSLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCCc2ccccc2)C1 ZINC000464822310 388104859 /nfs/dbraw/zinc/10/48/59/388104859.db2.gz LSBAGTHYHRZKSR-HUUCEWRRSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCc1ccccc1 ZINC000464822311 388104933 /nfs/dbraw/zinc/10/49/33/388104933.db2.gz LSBAGTHYHRZKSR-LSDHHAIUSA-N 1 0 231.383 3.740 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000464823416 388104990 /nfs/dbraw/zinc/10/49/90/388104990.db2.gz QCLGDIFIOJHHOY-KBPBESRZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000464823417 388104334 /nfs/dbraw/zinc/10/43/34/388104334.db2.gz QCLGDIFIOJHHOY-KGLIPLIRSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000464823418 388105141 /nfs/dbraw/zinc/10/51/41/388105141.db2.gz QCLGDIFIOJHHOY-UONOGXRCSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000464823419 533963419 /nfs/dbraw/zinc/96/34/19/533963419.db2.gz QCLGDIFIOJHHOY-ZIAGYGMSSA-N 1 0 217.356 3.615 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000464823966 388105137 /nfs/dbraw/zinc/10/51/37/388105137.db2.gz ROURSNCRRPWYIC-ILXRZTDVSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000464823967 388104389 /nfs/dbraw/zinc/10/43/89/388104389.db2.gz ROURSNCRRPWYIC-KFWWJZLASA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000464823968 388105175 /nfs/dbraw/zinc/10/51/75/388105175.db2.gz ROURSNCRRPWYIC-QLFBSQMISA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000464823969 388105184 /nfs/dbraw/zinc/10/51/84/388105184.db2.gz ROURSNCRRPWYIC-RBSFLKMASA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000464826617 388104453 /nfs/dbraw/zinc/10/44/53/388104453.db2.gz ZVOSNUMOPPSYTB-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000464826618 388104208 /nfs/dbraw/zinc/10/42/08/388104208.db2.gz ZVOSNUMOPPSYTB-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000464826619 388104131 /nfs/dbraw/zinc/10/41/31/388104131.db2.gz ZVOSNUMOPPSYTB-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000464826620 388104371 /nfs/dbraw/zinc/10/43/71/388104371.db2.gz ZVOSNUMOPPSYTB-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC000464826948 388104342 /nfs/dbraw/zinc/10/43/42/388104342.db2.gz IDPGIUIBKCXFAM-AJNJCKRNSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC000464826949 388104417 /nfs/dbraw/zinc/10/44/17/388104417.db2.gz IDPGIUIBKCXFAM-IIQYJXCPSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC000464826950 388104779 /nfs/dbraw/zinc/10/47/79/388104779.db2.gz IDPGIUIBKCXFAM-SIEMXDPISA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC000464826951 388104517 /nfs/dbraw/zinc/10/45/17/388104517.db2.gz IDPGIUIBKCXFAM-VOTDVEDPSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]1C ZINC000464829691 388104438 /nfs/dbraw/zinc/10/44/38/388104438.db2.gz JSAODVMXSIOFNR-GHMZBOCLSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]1C ZINC000464829693 388104769 /nfs/dbraw/zinc/10/47/69/388104769.db2.gz JSAODVMXSIOFNR-MNOVXSKESA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000464829694 388104293 /nfs/dbraw/zinc/10/42/93/388104293.db2.gz JSAODVMXSIOFNR-QWRGUYRKSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1C ZINC000464829695 388104810 /nfs/dbraw/zinc/10/48/10/388104810.db2.gz JSAODVMXSIOFNR-WDEREUQCSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]1C ZINC000464829769 388104222 /nfs/dbraw/zinc/10/42/22/388104222.db2.gz KBNSNBROMQDXQL-GHMZBOCLSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]1C ZINC000464829770 388104940 /nfs/dbraw/zinc/10/49/40/388104940.db2.gz KBNSNBROMQDXQL-MNOVXSKESA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1C ZINC000464829772 388105099 /nfs/dbraw/zinc/10/50/99/388105099.db2.gz KBNSNBROMQDXQL-QWRGUYRKSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1C ZINC000464829774 388104301 /nfs/dbraw/zinc/10/43/01/388104301.db2.gz KBNSNBROMQDXQL-WDEREUQCSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464830629 388104542 /nfs/dbraw/zinc/10/45/42/388104542.db2.gz JCHYMEGQITUUPU-AXFHLTTASA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1c(F)cccc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464830630 388105533 /nfs/dbraw/zinc/10/55/33/388105533.db2.gz JCHYMEGQITUUPU-GMTAPVOTSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464830631 388105549 /nfs/dbraw/zinc/10/55/49/388105549.db2.gz JCHYMEGQITUUPU-MXWKQRLJSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464830632 388106289 /nfs/dbraw/zinc/10/62/89/388106289.db2.gz JCHYMEGQITUUPU-OUAUKWLOSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCC2)C1 ZINC000464833015 388105806 /nfs/dbraw/zinc/10/58/06/388105806.db2.gz UUZFOVWVDWWIFV-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC000464833016 388106257 /nfs/dbraw/zinc/10/62/57/388106257.db2.gz UUZFOVWVDWWIFV-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CC1CCCCC1 ZINC000464833017 388104563 /nfs/dbraw/zinc/10/45/63/388104563.db2.gz UUZFOVWVDWWIFV-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC000464833018 388105165 /nfs/dbraw/zinc/10/51/65/388105165.db2.gz UUZFOVWVDWWIFV-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC)o1 ZINC000464833976 388106249 /nfs/dbraw/zinc/10/62/49/388106249.db2.gz OWJAQYWXHHDUME-AAEUAGOBSA-N 1 0 221.344 3.635 20 0 BHADRO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC)o1 ZINC000464833977 388105668 /nfs/dbraw/zinc/10/56/68/388105668.db2.gz OWJAQYWXHHDUME-DGCLKSJQSA-N 1 0 221.344 3.635 20 0 BHADRO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC)o1 ZINC000464833978 388106114 /nfs/dbraw/zinc/10/61/14/388106114.db2.gz OWJAQYWXHHDUME-WCQYABFASA-N 1 0 221.344 3.635 20 0 BHADRO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC)o1 ZINC000464833979 388105781 /nfs/dbraw/zinc/10/57/81/388105781.db2.gz OWJAQYWXHHDUME-YPMHNXCESA-N 1 0 221.344 3.635 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCc1c(F)cccc1Cl ZINC000464834733 388105611 /nfs/dbraw/zinc/10/56/11/388105611.db2.gz SZXGFHIPNWLTPO-JTQLQIEISA-N 1 0 241.737 3.506 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCc1c(F)cccc1Cl ZINC000464834735 388106276 /nfs/dbraw/zinc/10/62/76/388106276.db2.gz SZXGFHIPNWLTPO-SNVBAGLBSA-N 1 0 241.737 3.506 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCCSC)C1 ZINC000464835566 388106301 /nfs/dbraw/zinc/10/63/01/388106301.db2.gz IVODQFODKGXHOF-CYBMUJFWSA-N 1 0 229.433 3.642 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCCSC)C1 ZINC000464835568 388106392 /nfs/dbraw/zinc/10/63/92/388106392.db2.gz IVODQFODKGXHOF-ZDUSSCGKSA-N 1 0 229.433 3.642 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1C ZINC000464837911 388105435 /nfs/dbraw/zinc/10/54/35/388105435.db2.gz YXTDKBAIPMQEKG-BXUZGUMPSA-N 1 0 221.319 3.761 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C ZINC000464837913 388106350 /nfs/dbraw/zinc/10/63/50/388106350.db2.gz YXTDKBAIPMQEKG-FZMZJTMJSA-N 1 0 221.319 3.761 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1C ZINC000464837917 388105873 /nfs/dbraw/zinc/10/58/73/388105873.db2.gz YXTDKBAIPMQEKG-RISCZKNCSA-N 1 0 221.319 3.761 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C ZINC000464837919 388106099 /nfs/dbraw/zinc/10/60/99/388106099.db2.gz YXTDKBAIPMQEKG-SMDDNHRTSA-N 1 0 221.319 3.761 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCOC(C)(C)C)C1 ZINC000464838534 388106162 /nfs/dbraw/zinc/10/61/62/388106162.db2.gz NPKBNITUBXNATI-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCOC(C)(C)C)C1 ZINC000464838536 388105828 /nfs/dbraw/zinc/10/58/28/388105828.db2.gz NPKBNITUBXNATI-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464839367 388105754 /nfs/dbraw/zinc/10/57/54/388105754.db2.gz XZOSFHHDUKLADC-AXFHLTTASA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464839368 388106308 /nfs/dbraw/zinc/10/63/08/388106308.db2.gz XZOSFHHDUKLADC-GMTAPVOTSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464839369 534046611 /nfs/dbraw/zinc/04/66/11/534046611.db2.gz XZOSFHHDUKLADC-MXWKQRLJSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464839370 388105628 /nfs/dbraw/zinc/10/56/28/388105628.db2.gz XZOSFHHDUKLADC-OUAUKWLOSA-N 1 0 239.309 3.614 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCSCC)C1 ZINC000464839864 388106133 /nfs/dbraw/zinc/10/61/33/388106133.db2.gz RKNIBHQRVNWGBR-CYBMUJFWSA-N 1 0 229.433 3.642 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCSCC)C1 ZINC000464839865 388105558 /nfs/dbraw/zinc/10/55/58/388105558.db2.gz RKNIBHQRVNWGBR-ZDUSSCGKSA-N 1 0 229.433 3.642 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC000464840803 388105966 /nfs/dbraw/zinc/10/59/66/388105966.db2.gz AQQWUAFCBDTGDZ-AWEZNQCLSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC000464840804 388105481 /nfs/dbraw/zinc/10/54/81/388105481.db2.gz AQQWUAFCBDTGDZ-CQSZACIVSA-N 1 0 209.377 3.689 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000464841698 388106266 /nfs/dbraw/zinc/10/62/66/388106266.db2.gz YQAAWOSJJNLDIQ-GFCCVEGCSA-N 1 0 237.774 3.757 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000464841699 388105743 /nfs/dbraw/zinc/10/57/43/388105743.db2.gz YQAAWOSJJNLDIQ-LBPRGKRZSA-N 1 0 237.774 3.757 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464842238 388105918 /nfs/dbraw/zinc/10/59/18/388105918.db2.gz ZUXWHRCLDZRUHY-AXFHLTTASA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464842239 388106000 /nfs/dbraw/zinc/10/60/00/388106000.db2.gz ZUXWHRCLDZRUHY-GMTAPVOTSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464842240 388105635 /nfs/dbraw/zinc/10/56/35/388105635.db2.gz ZUXWHRCLDZRUHY-MXWKQRLJSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464842241 388105848 /nfs/dbraw/zinc/10/58/48/388105848.db2.gz ZUXWHRCLDZRUHY-OUAUKWLOSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464842645 388104122 /nfs/dbraw/zinc/10/41/22/388104122.db2.gz KAGRFEUOOUENBW-AXFHLTTASA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464842646 388104643 /nfs/dbraw/zinc/10/46/43/388104643.db2.gz KAGRFEUOOUENBW-GMTAPVOTSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464842647 388104667 /nfs/dbraw/zinc/10/46/67/388104667.db2.gz KAGRFEUOOUENBW-MXWKQRLJSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464842648 388105032 /nfs/dbraw/zinc/10/50/32/388105032.db2.gz KAGRFEUOOUENBW-OUAUKWLOSA-N 1 0 239.309 3.614 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCCOC(C)C)C1 ZINC000464842929 388105701 /nfs/dbraw/zinc/10/57/01/388105701.db2.gz NNFIFQDQQNNTRZ-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCCOC(C)C)C1 ZINC000464842930 388105459 /nfs/dbraw/zinc/10/54/59/388105459.db2.gz NNFIFQDQQNNTRZ-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1ccc(OCCC[N@H+]2CCC[C@@H]2C)cc1C ZINC000464843611 388106194 /nfs/dbraw/zinc/10/61/94/388106194.db2.gz WWSRUTIISLCHRK-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(OCCC[N@H+]2CCC[C@H]2C)cc1C ZINC000464843612 388105816 /nfs/dbraw/zinc/10/58/16/388105816.db2.gz WWSRUTIISLCHRK-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000464844585 388106213 /nfs/dbraw/zinc/10/62/13/388106213.db2.gz BHYUUOXPYSKHQP-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000464844586 388106338 /nfs/dbraw/zinc/10/63/38/388106338.db2.gz BHYUUOXPYSKHQP-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000464844587 388105945 /nfs/dbraw/zinc/10/59/45/388105945.db2.gz BHYUUOXPYSKHQP-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000464844588 388106425 /nfs/dbraw/zinc/10/64/25/388106425.db2.gz BHYUUOXPYSKHQP-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCCCCOC)C1 ZINC000464844641 388105888 /nfs/dbraw/zinc/10/58/88/388105888.db2.gz IGZWACQGIMAZGD-HNNXBMFYSA-N 1 0 241.419 3.705 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCCCCOC)C1 ZINC000464844642 388105642 /nfs/dbraw/zinc/10/56/42/388105642.db2.gz IGZWACQGIMAZGD-OAHLLOKOSA-N 1 0 241.419 3.705 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464844734 388106181 /nfs/dbraw/zinc/10/61/81/388106181.db2.gz JMPOVFWTOOXCLQ-GUTXKFCHSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000464844735 388105466 /nfs/dbraw/zinc/10/54/66/388105466.db2.gz JMPOVFWTOOXCLQ-KCQAQPDRSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464844736 388105719 /nfs/dbraw/zinc/10/57/19/388105719.db2.gz JMPOVFWTOOXCLQ-UMVBOHGHSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464844737 388105823 /nfs/dbraw/zinc/10/58/23/388105823.db2.gz JMPOVFWTOOXCLQ-VNHYZAJKSA-N 1 0 217.356 3.726 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC000464845566 388105713 /nfs/dbraw/zinc/10/57/13/388105713.db2.gz GFUXGNSIKHZGKR-AWEZNQCLSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC000464845567 388105650 /nfs/dbraw/zinc/10/56/50/388105650.db2.gz GFUXGNSIKHZGKR-CQSZACIVSA-N 1 0 209.377 3.689 20 0 BHADRO CCC[C@@]1(C)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000464846875 388105496 /nfs/dbraw/zinc/10/54/96/388105496.db2.gz KJRWWUWKKRMUNS-CABCVRRESA-N 1 0 221.388 3.997 20 0 BHADRO CCC[C@@]1(C)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000464846902 388106013 /nfs/dbraw/zinc/10/60/13/388106013.db2.gz KJRWWUWKKRMUNS-GJZGRUSLSA-N 1 0 221.388 3.997 20 0 BHADRO CCC[C@]1(C)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000464846903 388106119 /nfs/dbraw/zinc/10/61/19/388106119.db2.gz KJRWWUWKKRMUNS-HUUCEWRRSA-N 1 0 221.388 3.997 20 0 BHADRO CCC[C@]1(C)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000464846904 528502658 /nfs/dbraw/zinc/50/26/58/528502658.db2.gz KJRWWUWKKRMUNS-LSDHHAIUSA-N 1 0 221.388 3.997 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000464850800 388105555 /nfs/dbraw/zinc/10/55/55/388105555.db2.gz LBBBWPSATIFICI-BZUAXINKSA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000464850801 388105727 /nfs/dbraw/zinc/10/57/27/388105727.db2.gz LBBBWPSATIFICI-HRCADAONSA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464850802 388106153 /nfs/dbraw/zinc/10/61/53/388106153.db2.gz LBBBWPSATIFICI-OWCLPIDISA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464850803 388105519 /nfs/dbraw/zinc/10/55/19/388105519.db2.gz LBBBWPSATIFICI-XHSDSOJGSA-N 1 0 229.367 3.870 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)CCSCC ZINC000464856586 388105602 /nfs/dbraw/zinc/10/56/02/388105602.db2.gz LEVBZEAEKSDVED-GFCCVEGCSA-N 1 0 217.422 3.640 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)CCSCC ZINC000464856587 528164568 /nfs/dbraw/zinc/16/45/68/528164568.db2.gz LEVBZEAEKSDVED-LBPRGKRZSA-N 1 0 217.422 3.640 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000464859561 388107412 /nfs/dbraw/zinc/10/74/12/388107412.db2.gz YGCUGKRGIXCLKL-HZSPNIEDSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000464859562 388106760 /nfs/dbraw/zinc/10/67/60/388106760.db2.gz YGCUGKRGIXCLKL-IHRRRGAJSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000464859563 388107449 /nfs/dbraw/zinc/10/74/49/388107449.db2.gz YGCUGKRGIXCLKL-MCIONIFRSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000464859564 388107026 /nfs/dbraw/zinc/10/70/26/388107026.db2.gz YGCUGKRGIXCLKL-MJBXVCDLSA-N 1 0 217.356 3.644 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464860180 388105900 /nfs/dbraw/zinc/10/59/00/388105900.db2.gz ZFPSYRAATTUYTB-CHWSQXEVSA-N 1 0 221.344 3.853 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464860181 388106409 /nfs/dbraw/zinc/10/64/09/388106409.db2.gz ZFPSYRAATTUYTB-OLZOCXBDSA-N 1 0 221.344 3.853 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464860182 388105409 /nfs/dbraw/zinc/10/54/09/388105409.db2.gz ZFPSYRAATTUYTB-QWHCGFSZSA-N 1 0 221.344 3.853 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464860183 388106123 /nfs/dbraw/zinc/10/61/23/388106123.db2.gz ZFPSYRAATTUYTB-STQMWFEESA-N 1 0 221.344 3.853 20 0 BHADRO CCCCC[N@H+](CCCSC)C(C)C ZINC000464864428 388107280 /nfs/dbraw/zinc/10/72/80/388107280.db2.gz MOMDLOQTSXUKRZ-UHFFFAOYSA-N 1 0 217.422 3.640 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000464865461 388107160 /nfs/dbraw/zinc/10/71/60/388107160.db2.gz GSNAHYYUCVPIDY-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000464865462 388107636 /nfs/dbraw/zinc/10/76/36/388107636.db2.gz GSNAHYYUCVPIDY-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CCCSC ZINC000464865591 388104477 /nfs/dbraw/zinc/10/44/77/388104477.db2.gz IGZNOVLWEQGAOL-AWEZNQCLSA-N 1 0 237.412 3.823 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CCCSC ZINC000464865592 388105050 /nfs/dbraw/zinc/10/50/50/388105050.db2.gz IGZNOVLWEQGAOL-CQSZACIVSA-N 1 0 237.412 3.823 20 0 BHADRO CSCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000464866079 388107606 /nfs/dbraw/zinc/10/76/06/388107606.db2.gz NZVZNAKELALGCU-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO CSCCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000464866080 388106875 /nfs/dbraw/zinc/10/68/75/388106875.db2.gz NZVZNAKELALGCU-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO CCC1CCC([N@H+](C)CCCSC)CC1 ZINC000464866325 388107291 /nfs/dbraw/zinc/10/72/91/388107291.db2.gz DDAQFNXXYYFQKH-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000464866358 388107556 /nfs/dbraw/zinc/10/75/56/388107556.db2.gz DQYYDXWVABAXAE-AWEZNQCLSA-N 1 0 241.444 3.784 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000464866359 388107314 /nfs/dbraw/zinc/10/73/14/388107314.db2.gz DQYYDXWVABAXAE-CQSZACIVSA-N 1 0 241.444 3.784 20 0 BHADRO CSCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000464866733 388107299 /nfs/dbraw/zinc/10/72/99/388107299.db2.gz GBUYDDANYIPOMI-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CSCCC[N@H+](CC(C)C)C1CCCC1 ZINC000464866829 388107663 /nfs/dbraw/zinc/10/76/63/388107663.db2.gz SPPQGSIMJIRNOW-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000464868201 388107642 /nfs/dbraw/zinc/10/76/42/388107642.db2.gz XXDHFSRJLVKYDZ-UHFFFAOYSA-N 1 0 241.444 3.786 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464869780 388106885 /nfs/dbraw/zinc/10/68/85/388106885.db2.gz ANRIFJTXFBQHBZ-HLLBOEOZSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000464869781 224976101 /nfs/dbraw/zinc/97/61/01/224976101.db2.gz ANRIFJTXFBQHBZ-INMHGKMJSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464869782 388106898 /nfs/dbraw/zinc/10/68/98/388106898.db2.gz ANRIFJTXFBQHBZ-UXLLHSPISA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000464869783 224976934 /nfs/dbraw/zinc/97/69/34/224976934.db2.gz ANRIFJTXFBQHBZ-ZOBUZTSGSA-N 1 0 241.378 3.796 20 0 BHADRO CSCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000464878337 533564760 /nfs/dbraw/zinc/56/47/60/533564760.db2.gz TYGQJDCUBCRMFH-UHFFFAOYSA-N 1 0 241.444 3.786 20 0 BHADRO CSCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000464879507 388107727 /nfs/dbraw/zinc/10/77/27/388107727.db2.gz OBUKIUJAEFJCPF-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000464879508 388107344 /nfs/dbraw/zinc/10/73/44/388107344.db2.gz OBUKIUJAEFJCPF-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000464879509 533565609 /nfs/dbraw/zinc/56/56/09/533565609.db2.gz OBUKIUJAEFJCPF-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000464879510 388107150 /nfs/dbraw/zinc/10/71/50/388107150.db2.gz OBUKIUJAEFJCPF-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000464881750 388106831 /nfs/dbraw/zinc/10/68/31/388106831.db2.gz VPOLDOWVIMHEMR-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000464881751 388107721 /nfs/dbraw/zinc/10/77/21/388107721.db2.gz VPOLDOWVIMHEMR-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000464881776 388107426 /nfs/dbraw/zinc/10/74/26/388107426.db2.gz VPOLDOWVIMHEMR-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000464881777 388106620 /nfs/dbraw/zinc/10/66/20/388106620.db2.gz VPOLDOWVIMHEMR-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464887407 388106852 /nfs/dbraw/zinc/10/68/52/388106852.db2.gz QQZUXNUWPIATOS-UHFFFAOYSA-N 1 0 233.330 3.715 20 0 BHADRO CC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000464891298 388107705 /nfs/dbraw/zinc/10/77/05/388107705.db2.gz ZCTMKXCUNLMBEG-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000464892990 388107264 /nfs/dbraw/zinc/10/72/64/388107264.db2.gz ZBZWIEYMPXSEHK-BMFZPTHFSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000464892991 224976798 /nfs/dbraw/zinc/97/67/98/224976798.db2.gz ZBZWIEYMPXSEHK-BPUTZDHNSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000464892992 388107304 /nfs/dbraw/zinc/10/73/04/388107304.db2.gz ZBZWIEYMPXSEHK-CWRNSKLLSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000464892993 388107397 /nfs/dbraw/zinc/10/73/97/388107397.db2.gz ZBZWIEYMPXSEHK-NUEKZKHPSA-N 1 0 229.367 3.788 20 0 BHADRO C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000464898442 388106843 /nfs/dbraw/zinc/10/68/43/388106843.db2.gz QOEGWFFYOMGLJG-BMFZPTHFSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000464898443 388106608 /nfs/dbraw/zinc/10/66/08/388106608.db2.gz QOEGWFFYOMGLJG-CWRNSKLLSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@H](C[NH+]1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000464898444 388106812 /nfs/dbraw/zinc/10/68/12/388106812.db2.gz QOEGWFFYOMGLJG-FVQBIDKESA-N 1 0 229.367 3.522 20 0 BHADRO C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC000464898445 388106686 /nfs/dbraw/zinc/10/66/86/388106686.db2.gz QOEGWFFYOMGLJG-KBMXLJTQSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCSC ZINC000464899332 388107105 /nfs/dbraw/zinc/10/71/05/388107105.db2.gz STQJNLQCDXKYQF-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCSC ZINC000464899333 388107578 /nfs/dbraw/zinc/10/75/78/388107578.db2.gz STQJNLQCDXKYQF-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCSC ZINC000464899334 388107478 /nfs/dbraw/zinc/10/74/78/388107478.db2.gz STQJNLQCDXKYQF-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCSC ZINC000464899335 388107586 /nfs/dbraw/zinc/10/75/86/388107586.db2.gz STQJNLQCDXKYQF-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]1C[C@@H](C)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000465052620 388109312 /nfs/dbraw/zinc/10/93/12/388109312.db2.gz CTMHXAWGUROXGW-GHMZBOCLSA-N 1 0 244.313 3.609 20 0 BHADRO C[C@@H]1C[C@H](C)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000465052621 388109124 /nfs/dbraw/zinc/10/91/24/388109124.db2.gz CTMHXAWGUROXGW-MNOVXSKESA-N 1 0 244.313 3.609 20 0 BHADRO C[C@H]1C[C@H](C)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000465052622 388109419 /nfs/dbraw/zinc/10/94/19/388109419.db2.gz CTMHXAWGUROXGW-QWRGUYRKSA-N 1 0 244.313 3.609 20 0 BHADRO C[C@@H]1C[C@H](C)CN1c1cc[nH+]c2cc(F)ccc21 ZINC000465052623 388109175 /nfs/dbraw/zinc/10/91/75/388109175.db2.gz CTMHXAWGUROXGW-WDEREUQCSA-N 1 0 244.313 3.609 20 0 BHADRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000465398119 388113312 /nfs/dbraw/zinc/11/33/12/388113312.db2.gz FUMCFKPFQPLSFL-DUVNUKRYSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000465398120 533380585 /nfs/dbraw/zinc/38/05/85/533380585.db2.gz FUMCFKPFQPLSFL-IVMMDQJWSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000465398121 388113491 /nfs/dbraw/zinc/11/34/91/388113491.db2.gz FUMCFKPFQPLSFL-JGGQBBKZSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000465398123 388113626 /nfs/dbraw/zinc/11/36/26/388113626.db2.gz FUMCFKPFQPLSFL-XNRPHZJLSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)CCSCc1cn2ccccc2n1 ZINC000465454808 388113002 /nfs/dbraw/zinc/11/30/02/388113002.db2.gz VAIPLRQTQOHCJK-UHFFFAOYSA-N 1 0 234.368 3.614 20 0 BHADRO CC/C=C/CC[N@@H+](C)[C@@H](C)CCSCC ZINC000466205090 398017734 /nfs/dbraw/zinc/01/77/34/398017734.db2.gz BCAFPUKUCUDZED-GWJCSSMESA-N 1 0 229.433 3.806 20 0 BHADRO CC/C=C\CC[N@@H+](C)[C@H](C)CCSCC ZINC000466205099 398018061 /nfs/dbraw/zinc/01/80/61/398018061.db2.gz BCAFPUKUCUDZED-MEJMFZKBSA-N 1 0 229.433 3.806 20 0 BHADRO CC/C=C/CC[N@@H+](C)[C@H](C)CCSCC ZINC000466205100 398017769 /nfs/dbraw/zinc/01/77/69/398017769.db2.gz BCAFPUKUCUDZED-SBDDDAINSA-N 1 0 229.433 3.806 20 0 BHADRO CC/C=C\CC[N@@H+](C)[C@@H](C)CCSCC ZINC000466205101 398017888 /nfs/dbraw/zinc/01/78/88/398017888.db2.gz BCAFPUKUCUDZED-WSROAFLRSA-N 1 0 229.433 3.806 20 0 BHADRO CC/C=C\CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000466205112 398017776 /nfs/dbraw/zinc/01/77/76/398017776.db2.gz BERGRFYYQYEQEX-ARJAWSKDSA-N 1 0 233.330 3.761 20 0 BHADRO CC/C=C/CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000466205114 528771809 /nfs/dbraw/zinc/77/18/09/528771809.db2.gz BERGRFYYQYEQEX-ONEGZZNKSA-N 1 0 233.330 3.761 20 0 BHADRO CC/C=C\CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000466209830 398017805 /nfs/dbraw/zinc/01/78/05/398017805.db2.gz KCBUBCBSQHJNHS-ARJAWSKDSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C/CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000466209831 398018139 /nfs/dbraw/zinc/01/81/39/398018139.db2.gz KCBUBCBSQHJNHS-ONEGZZNKSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C\CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000466216581 398018196 /nfs/dbraw/zinc/01/81/96/398018196.db2.gz IJRDHINTINJILP-ARJAWSKDSA-N 1 0 233.277 3.537 20 0 BHADRO CC/C=C/CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000466216582 398018043 /nfs/dbraw/zinc/01/80/43/398018043.db2.gz IJRDHINTINJILP-ONEGZZNKSA-N 1 0 233.277 3.537 20 0 BHADRO CC/C=C\CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000466220396 398017649 /nfs/dbraw/zinc/01/76/49/398017649.db2.gz RRYUGKWDESXIFV-ARJAWSKDSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C/CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000466220398 398018172 /nfs/dbraw/zinc/01/81/72/398018172.db2.gz RRYUGKWDESXIFV-ONEGZZNKSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C\CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000466231792 398017924 /nfs/dbraw/zinc/01/79/24/398017924.db2.gz QXFMJXGHCALHQY-ARJAWSKDSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C/CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000466231793 398018240 /nfs/dbraw/zinc/01/82/40/398018240.db2.gz QXFMJXGHCALHQY-ONEGZZNKSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C\CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000466233070 398017684 /nfs/dbraw/zinc/01/76/84/398017684.db2.gz GHEGWSCJKXKMSJ-ARJAWSKDSA-N 1 0 233.330 3.540 20 0 BHADRO CC/C=C/CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000466233073 398017791 /nfs/dbraw/zinc/01/77/91/398017791.db2.gz GHEGWSCJKXKMSJ-ONEGZZNKSA-N 1 0 233.330 3.540 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466357913 533726501 /nfs/dbraw/zinc/72/65/01/533726501.db2.gz ZJXWHDMBYDBHLO-QTAHKJALSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466357914 388117284 /nfs/dbraw/zinc/11/72/84/388117284.db2.gz ZJXWHDMBYDBHLO-UZEXVOJHSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466357915 388117494 /nfs/dbraw/zinc/11/74/94/388117494.db2.gz ZJXWHDMBYDBHLO-VOBJUBJWSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466357916 388117498 /nfs/dbraw/zinc/11/74/98/388117498.db2.gz ZJXWHDMBYDBHLO-ZYGVAYEYSA-N 1 0 249.320 3.601 20 0 BHADRO CC1(C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466368418 388117467 /nfs/dbraw/zinc/11/74/67/388117467.db2.gz JYGSAWWPCZNPHK-VQXHTEKXSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C[NH2+]C2CC(C)(c3ccccc3)C2)CCC1 ZINC000466376978 388117246 /nfs/dbraw/zinc/11/72/46/388117246.db2.gz ACAAVZRKFQUSTN-UHFFFAOYSA-N 1 0 243.394 3.887 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]CC(C)(C)C)C1 ZINC000466385677 388118051 /nfs/dbraw/zinc/11/80/51/388118051.db2.gz IPZSFLXLUZWDTD-HDJSIYSDSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)=CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000466390084 388118000 /nfs/dbraw/zinc/11/80/00/388118000.db2.gz TVZJSQKTRWOZHE-UHFFFAOYSA-N 1 0 229.367 3.663 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000466402140 388117943 /nfs/dbraw/zinc/11/79/43/388117943.db2.gz RSNMUDBZPQULKS-BPLDGKMQSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000466402141 388117941 /nfs/dbraw/zinc/11/79/41/388117941.db2.gz RSNMUDBZPQULKS-QEJZJMRPSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)C2CC2)C1 ZINC000466406709 385318469 /nfs/dbraw/zinc/31/84/69/385318469.db2.gz MWDDEWHJRRQQCP-BPLDGKMQSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000466406710 385317911 /nfs/dbraw/zinc/31/79/11/385317911.db2.gz MWDDEWHJRRQQCP-QEJZJMRPSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CCCC2)C1 ZINC000466407906 388118474 /nfs/dbraw/zinc/11/84/74/388118474.db2.gz YRHPSEHHWOOONO-CTYIDZIISA-N 1 0 229.367 3.773 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000466419346 388118688 /nfs/dbraw/zinc/11/86/88/388118688.db2.gz KABWOUDDNVUFRU-MJBXVCDLSA-N 1 0 249.398 3.884 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000466423863 388118544 /nfs/dbraw/zinc/11/85/44/388118544.db2.gz FHRZDXXABUBICV-DZUCGIPZSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000466423864 385332636 /nfs/dbraw/zinc/33/26/36/385332636.db2.gz FHRZDXXABUBICV-MWQQHZPXSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000466423865 385331987 /nfs/dbraw/zinc/33/19/87/385331987.db2.gz FHRZDXXABUBICV-MXASKKJJSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000466423866 219866310 /nfs/dbraw/zinc/86/63/10/219866310.db2.gz FHRZDXXABUBICV-SIXLDLHFSA-N 1 0 243.394 3.816 20 0 BHADRO CCC(CC)SCCC[NH+]1CCCCC1 ZINC000466450527 528807417 /nfs/dbraw/zinc/80/74/17/528807417.db2.gz WIAXMFDWTOVPID-UHFFFAOYSA-N 1 0 229.433 3.784 20 0 BHADRO CC[C@@H](C)CSCCC[NH+]1CCCCC1 ZINC000466457565 388118269 /nfs/dbraw/zinc/11/82/69/388118269.db2.gz USJGVNVRFKUJHP-CYBMUJFWSA-N 1 0 229.433 3.642 20 0 BHADRO CC[C@H](C)CSCCC[NH+]1CCCCC1 ZINC000466457566 529674643 /nfs/dbraw/zinc/67/46/43/529674643.db2.gz USJGVNVRFKUJHP-ZDUSSCGKSA-N 1 0 229.433 3.642 20 0 BHADRO CC1CC([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466467550 388119299 /nfs/dbraw/zinc/11/92/99/388119299.db2.gz XVRJSMDGKYOZBV-UHFFFAOYSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)[C@@H](C)SCCC[NH+]1CCCCC1 ZINC000466468131 388119476 /nfs/dbraw/zinc/11/94/76/388119476.db2.gz BEKXWIJXJKWHJN-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)[C@H](C)SCCC[NH+]1CCCCC1 ZINC000466468132 388119010 /nfs/dbraw/zinc/11/90/10/388119010.db2.gz BEKXWIJXJKWHJN-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000466473943 388119207 /nfs/dbraw/zinc/11/92/07/388119207.db2.gz MRRWYLWYRKOYCI-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000466473944 388119093 /nfs/dbraw/zinc/11/90/93/388119093.db2.gz MRRWYLWYRKOYCI-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000466473945 388119439 /nfs/dbraw/zinc/11/94/39/388119439.db2.gz MRRWYLWYRKOYCI-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000466473946 388118988 /nfs/dbraw/zinc/11/89/88/388118988.db2.gz MRRWYLWYRKOYCI-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO CCC(C)(C)CC[N@H+](C)CCC1CCOCC1 ZINC000466492043 388119139 /nfs/dbraw/zinc/11/91/39/388119139.db2.gz AIGYMYCCLZKXOY-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCc1ccccc1Cl ZINC000466663973 388120310 /nfs/dbraw/zinc/12/03/10/388120310.db2.gz JBTRKVWLJCXZFM-RYUDHWBXSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCc1ccccc1Cl ZINC000466663974 388120249 /nfs/dbraw/zinc/12/02/49/388120249.db2.gz JBTRKVWLJCXZFM-TXEJJXNPSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCc1ccccc1Cl ZINC000466663975 388120808 /nfs/dbraw/zinc/12/08/08/388120808.db2.gz JBTRKVWLJCXZFM-VXGBXAGGSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@H](C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000466667190 224999106 /nfs/dbraw/zinc/99/91/06/224999106.db2.gz OLPBMKVDTXRGSU-MCIONIFRSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000466667192 388120759 /nfs/dbraw/zinc/12/07/59/388120759.db2.gz OLPBMKVDTXRGSU-MELADBBJSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000466667193 388120233 /nfs/dbraw/zinc/12/02/33/388120233.db2.gz OLPBMKVDTXRGSU-MGPQQGTHSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000466667195 388120504 /nfs/dbraw/zinc/12/05/04/388120504.db2.gz OLPBMKVDTXRGSU-RDBSUJKOSA-N 1 0 217.356 3.663 20 0 BHADRO CSCCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000466668653 388120274 /nfs/dbraw/zinc/12/02/74/388120274.db2.gz DKMTULHDMWMIKG-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CSCCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000466668654 388120227 /nfs/dbraw/zinc/12/02/27/388120227.db2.gz DKMTULHDMWMIKG-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO COc1cccc(CCC[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000466673554 533452567 /nfs/dbraw/zinc/45/25/67/533452567.db2.gz STGBAKPCWLDYDJ-KBPBESRZSA-N 1 0 247.382 3.501 20 0 BHADRO COc1cccc(CCC[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000466673555 388120719 /nfs/dbraw/zinc/12/07/19/388120719.db2.gz STGBAKPCWLDYDJ-OKILXGFUSA-N 1 0 247.382 3.501 20 0 BHADRO COc1cccc(CCC[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000466673556 533452366 /nfs/dbraw/zinc/45/23/66/533452366.db2.gz STGBAKPCWLDYDJ-ZIAGYGMSSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCCCOc1ccccc1 ZINC000466673558 534227345 /nfs/dbraw/zinc/22/73/45/534227345.db2.gz STWYDUJYOFOGFT-GASCZTMLSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCCCOc1ccccc1 ZINC000466673559 388120673 /nfs/dbraw/zinc/12/06/73/388120673.db2.gz STWYDUJYOFOGFT-GJZGRUSLSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCCCOc1ccccc1 ZINC000466673560 388120342 /nfs/dbraw/zinc/12/03/42/388120342.db2.gz STWYDUJYOFOGFT-HUUCEWRRSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCOC1CCCCCC1 ZINC000466675583 538549478 /nfs/dbraw/zinc/54/94/78/538549478.db2.gz IFYWOJHCQHHQDK-KBPBESRZSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCOC1CCCCCC1 ZINC000466675584 538549715 /nfs/dbraw/zinc/54/97/15/538549715.db2.gz IFYWOJHCQHHQDK-OKILXGFUSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCOC1CCCCCC1 ZINC000466675585 538549613 /nfs/dbraw/zinc/54/96/13/538549613.db2.gz IFYWOJHCQHHQDK-ZIAGYGMSSA-N 1 0 239.403 3.599 20 0 BHADRO COCCCCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000466686789 388120689 /nfs/dbraw/zinc/12/06/89/388120689.db2.gz PVQWJRSFDNMPMD-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000466686790 225000126 /nfs/dbraw/zinc/00/01/26/225000126.db2.gz PVQWJRSFDNMPMD-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000466687399 388120303 /nfs/dbraw/zinc/12/03/03/388120303.db2.gz WQQLMSUOQSYRNT-HNNXBMFYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000466687400 388120750 /nfs/dbraw/zinc/12/07/50/388120750.db2.gz WQQLMSUOQSYRNT-OAHLLOKOSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466705914 528388044 /nfs/dbraw/zinc/38/80/44/528388044.db2.gz BCFFQAKAXYYIID-AWEZNQCLSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466705915 388120971 /nfs/dbraw/zinc/12/09/71/388120971.db2.gz BCFFQAKAXYYIID-CQSZACIVSA-N 1 0 209.377 3.545 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000466706170 388121453 /nfs/dbraw/zinc/12/14/53/388121453.db2.gz BRZKCYIVMPIUCM-AWEZNQCLSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000466706209 388121006 /nfs/dbraw/zinc/12/10/06/388121006.db2.gz BRZKCYIVMPIUCM-CQSZACIVSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000466723244 528388830 /nfs/dbraw/zinc/38/88/30/528388830.db2.gz RQEUPEJRJAOKHN-AWEZNQCLSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000466723245 528596234 /nfs/dbraw/zinc/59/62/34/528596234.db2.gz RQEUPEJRJAOKHN-CQSZACIVSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466728276 528388916 /nfs/dbraw/zinc/38/89/16/528388916.db2.gz NENICMYTCLIUKW-HNNXBMFYSA-N 1 0 217.356 3.555 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466728277 528596326 /nfs/dbraw/zinc/59/63/26/528596326.db2.gz NENICMYTCLIUKW-OAHLLOKOSA-N 1 0 217.356 3.555 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000466731429 528595767 /nfs/dbraw/zinc/59/57/67/528595767.db2.gz NQAFYIWZPFDZAO-CYBMUJFWSA-N 1 0 235.346 3.694 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000466731430 528388893 /nfs/dbraw/zinc/38/88/93/528388893.db2.gz NQAFYIWZPFDZAO-ZDUSSCGKSA-N 1 0 235.346 3.694 20 0 BHADRO COc1cccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1 ZINC000466732524 533483278 /nfs/dbraw/zinc/48/32/78/533483278.db2.gz FMMKCRNWKMHZAP-HNNXBMFYSA-N 1 0 247.382 3.563 20 0 BHADRO COc1cccc(C[N@@H+]2CC[C@H](CC(C)C)C2)c1 ZINC000466732525 388121028 /nfs/dbraw/zinc/12/10/28/388121028.db2.gz FMMKCRNWKMHZAP-OAHLLOKOSA-N 1 0 247.382 3.563 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000466801387 528787292 /nfs/dbraw/zinc/78/72/92/528787292.db2.gz LOOGNIPCNIVPMD-GEXIGZQTSA-N 1 0 247.382 3.611 20 0 BHADRO CC/C=C\CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000466801588 528787723 /nfs/dbraw/zinc/78/77/23/528787723.db2.gz LOOGNIPCNIVPMD-GXMNPTEKSA-N 1 0 247.382 3.611 20 0 BHADRO CC/C=C\CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000466801983 528789155 /nfs/dbraw/zinc/78/91/55/528789155.db2.gz NKJPNOQKUFSDGM-JHZNUDOXSA-N 1 0 239.428 3.703 20 0 BHADRO CC/C=C\CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000466801984 528789187 /nfs/dbraw/zinc/78/91/87/528789187.db2.gz NKJPNOQKUFSDGM-KBIGUFJUSA-N 1 0 239.428 3.703 20 0 BHADRO CC/C=C/CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000466801985 528771784 /nfs/dbraw/zinc/77/17/84/528771784.db2.gz NKJPNOQKUFSDGM-LSMGEYOZSA-N 1 0 239.428 3.703 20 0 BHADRO CC/C=C/CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000466801986 528772016 /nfs/dbraw/zinc/77/20/16/528772016.db2.gz NKJPNOQKUFSDGM-PUWCWTCHSA-N 1 0 239.428 3.703 20 0 BHADRO CC/C=C/CC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000466802022 528770215 /nfs/dbraw/zinc/77/02/15/528770215.db2.gz OMBQLWROWAZAGK-AFJNRPGYSA-N 1 0 241.444 3.949 20 0 BHADRO CC/C=C/CC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000466802023 528768727 /nfs/dbraw/zinc/76/87/27/528768727.db2.gz OMBQLWROWAZAGK-JLVOYYQZSA-N 1 0 241.444 3.949 20 0 BHADRO CC/C=C\CC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000466802024 528788087 /nfs/dbraw/zinc/78/80/87/528788087.db2.gz OMBQLWROWAZAGK-WJDZFGBRSA-N 1 0 241.444 3.949 20 0 BHADRO CC/C=C\CC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000466802025 384802734 /nfs/dbraw/zinc/80/27/34/384802734.db2.gz OMBQLWROWAZAGK-YOIVVXPQSA-N 1 0 241.444 3.949 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000466802652 528789403 /nfs/dbraw/zinc/78/94/03/528789403.db2.gz QEMFASRAZKTEDQ-KBIGUFJUSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000466802653 528789710 /nfs/dbraw/zinc/78/97/10/528789710.db2.gz QEMFASRAZKTEDQ-NMEQGOOXSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000466802654 528770587 /nfs/dbraw/zinc/77/05/87/528770587.db2.gz QEMFASRAZKTEDQ-NVFZZLLCSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000466802655 528770014 /nfs/dbraw/zinc/77/00/14/528770014.db2.gz QEMFASRAZKTEDQ-PUWCWTCHSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@H+](C)CCc1ccccc1OC ZINC000466803056 528768647 /nfs/dbraw/zinc/76/86/47/528768647.db2.gz AIHDRAFMSJYNRN-AATRIKPKSA-N 1 0 247.382 3.526 20 0 BHADRO CC/C=C\CC[N@H+](C)CCc1ccccc1OC ZINC000466803058 528787995 /nfs/dbraw/zinc/78/79/95/528787995.db2.gz AIHDRAFMSJYNRN-WAYWQWQTSA-N 1 0 247.382 3.526 20 0 BHADRO CC/C=C/CC[N@H+](C(C)C)C1CCCC1 ZINC000466804205 528768150 /nfs/dbraw/zinc/76/81/50/528768150.db2.gz VACBHPUNAPXHKC-AATRIKPKSA-N 1 0 209.377 3.996 20 0 BHADRO CC/C=C\CC[N@H+](C(C)C)C1CCCC1 ZINC000466804206 528787792 /nfs/dbraw/zinc/78/77/92/528787792.db2.gz VACBHPUNAPXHKC-WAYWQWQTSA-N 1 0 209.377 3.996 20 0 BHADRO CC/C=C\CC[NH2+]C(C)(C)c1ccccc1OC ZINC000466804380 528790678 /nfs/dbraw/zinc/79/06/78/528790678.db2.gz FJKJMOQJAZRHHT-SREVYHEPSA-N 1 0 247.382 3.876 20 0 BHADRO CC/C=C/CC[NH2+]C(C)(C)c1ccccc1OC ZINC000466804381 528772034 /nfs/dbraw/zinc/77/20/34/528772034.db2.gz FJKJMOQJAZRHHT-VOTSOKGWSA-N 1 0 247.382 3.876 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccc(C)s1 ZINC000466808952 528769102 /nfs/dbraw/zinc/76/91/02/528769102.db2.gz JVVNJHHGTWACBN-AATRIKPKSA-N 1 0 223.385 3.845 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccc(C)s1 ZINC000466808953 528788146 /nfs/dbraw/zinc/78/81/46/528788146.db2.gz JVVNJHHGTWACBN-WAYWQWQTSA-N 1 0 223.385 3.845 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000466812970 528789841 /nfs/dbraw/zinc/78/98/41/528789841.db2.gz BZEZYHJCBZCIJQ-ABCZVMIZSA-N 1 0 215.340 3.790 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000466812971 528771311 /nfs/dbraw/zinc/77/13/11/528771311.db2.gz BZEZYHJCBZCIJQ-BWPKMQGJSA-N 1 0 215.340 3.790 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000466812972 528790296 /nfs/dbraw/zinc/79/02/96/528790296.db2.gz BZEZYHJCBZCIJQ-JZIMQPMSSA-N 1 0 215.340 3.790 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000466812973 528771996 /nfs/dbraw/zinc/77/19/96/528771996.db2.gz BZEZYHJCBZCIJQ-NHZBNJEXSA-N 1 0 215.340 3.790 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000466822339 528769864 /nfs/dbraw/zinc/76/98/64/528769864.db2.gz BPNVIOFETLGEIK-APHBUQMISA-N 1 0 246.398 3.908 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000466822340 528789334 /nfs/dbraw/zinc/78/93/34/528789334.db2.gz BPNVIOFETLGEIK-AWFCHZOYSA-N 1 0 246.398 3.908 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000466822342 528769787 /nfs/dbraw/zinc/76/97/87/528769787.db2.gz BPNVIOFETLGEIK-DWTRPJMMSA-N 1 0 246.398 3.908 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000466822344 528789108 /nfs/dbraw/zinc/78/91/08/528789108.db2.gz BPNVIOFETLGEIK-YIEVGGLXSA-N 1 0 246.398 3.908 20 0 BHADRO CC/C=C\CC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000466822930 528789853 /nfs/dbraw/zinc/78/98/53/528789853.db2.gz NXHDSJPRMFPVOQ-IYKSTZQJSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C/CC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000466822931 528770039 /nfs/dbraw/zinc/77/00/39/528770039.db2.gz NXHDSJPRMFPVOQ-LLYBFZRZSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C/CC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000466822933 528770739 /nfs/dbraw/zinc/77/07/39/528770739.db2.gz NXHDSJPRMFPVOQ-NFAHFFEMSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C\CC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000466822934 528789831 /nfs/dbraw/zinc/78/98/31/528789831.db2.gz NXHDSJPRMFPVOQ-YVACAVLKSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C\CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000466823504 528790264 /nfs/dbraw/zinc/79/02/64/528790264.db2.gz GGZIHXZPWQQJAA-DSYXLKISSA-N 1 0 215.340 3.920 20 0 BHADRO CC/C=C/CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000466823507 528771513 /nfs/dbraw/zinc/77/15/13/528771513.db2.gz GGZIHXZPWQQJAA-MUBLQREKSA-N 1 0 215.340 3.920 20 0 BHADRO CC/C=C\CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000466824376 528789836 /nfs/dbraw/zinc/78/98/36/528789836.db2.gz JLOWEROIOKNVOS-ARJAWSKDSA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C\CC[N@H+](C)CCc1cccs1 ZINC000466826683 528788005 /nfs/dbraw/zinc/78/80/05/528788005.db2.gz SEAAHBHGQARTTF-PLNGDYQASA-N 1 0 223.385 3.579 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000466826807 528772512 /nfs/dbraw/zinc/77/25/12/528772512.db2.gz RHWOTBZLBWYQMR-CWDCEQMOSA-N 1 0 244.382 3.529 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000466826808 528789214 /nfs/dbraw/zinc/78/92/14/528789214.db2.gz RHWOTBZLBWYQMR-MJSXRHKHSA-N 1 0 244.382 3.529 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000466826809 528771550 /nfs/dbraw/zinc/77/15/50/528771550.db2.gz RHWOTBZLBWYQMR-QDLOVBKTSA-N 1 0 244.382 3.529 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000466826810 528789083 /nfs/dbraw/zinc/78/90/83/528789083.db2.gz RHWOTBZLBWYQMR-QGZUEGPWSA-N 1 0 244.382 3.529 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000466828841 528787314 /nfs/dbraw/zinc/78/73/14/528787314.db2.gz LNZTWXGZEXRROI-PLNGDYQASA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000466828842 528768565 /nfs/dbraw/zinc/76/85/65/528768565.db2.gz LNZTWXGZEXRROI-SNAWJCMRSA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccc(F)cc1F ZINC000466829219 528788028 /nfs/dbraw/zinc/78/80/28/528788028.db2.gz QGGGUONOYLDXSJ-PLNGDYQASA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccc(F)cc1F ZINC000466829220 528768675 /nfs/dbraw/zinc/76/86/75/528768675.db2.gz QGGGUONOYLDXSJ-SNAWJCMRSA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C/CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000466829939 528770146 /nfs/dbraw/zinc/77/01/46/528770146.db2.gz AGIMXUREUVYMAW-ITKZLYELSA-N 1 0 207.361 3.606 20 0 BHADRO CC/C=C\CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000466829940 528788888 /nfs/dbraw/zinc/78/88/88/528788888.db2.gz AGIMXUREUVYMAW-QMAVJUDZSA-N 1 0 207.361 3.606 20 0 BHADRO CC/C=C\CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000466829941 528789426 /nfs/dbraw/zinc/78/94/26/528789426.db2.gz AGIMXUREUVYMAW-RXNFCKPNSA-N 1 0 207.361 3.606 20 0 BHADRO CC/C=C/CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000466829942 528769541 /nfs/dbraw/zinc/76/95/41/528769541.db2.gz AGIMXUREUVYMAW-ZYOFXKKJSA-N 1 0 207.361 3.606 20 0 BHADRO CC/C=C\CC[N@H+](C)CCc1ccccc1 ZINC000466830720 528787648 /nfs/dbraw/zinc/78/76/48/528787648.db2.gz ICPRWLJDKLSCMA-PLNGDYQASA-N 1 0 217.356 3.517 20 0 BHADRO CC/C=C/CC[N@H+](C)CCc1ccccc1 ZINC000466830721 528768498 /nfs/dbraw/zinc/76/84/98/528768498.db2.gz ICPRWLJDKLSCMA-SNAWJCMRSA-N 1 0 217.356 3.517 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccccc1F ZINC000466830928 528788316 /nfs/dbraw/zinc/78/83/16/528788316.db2.gz JIMODVLECCSTTH-PLNGDYQASA-N 1 0 221.319 3.614 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccccc1F ZINC000466830929 528768332 /nfs/dbraw/zinc/76/83/32/528768332.db2.gz JIMODVLECCSTTH-SNAWJCMRSA-N 1 0 221.319 3.614 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000466831268 528788983 /nfs/dbraw/zinc/78/89/83/528788983.db2.gz LXJOUUREGIKMKE-BYCRGOAPSA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000466831269 528789856 /nfs/dbraw/zinc/78/98/56/528789856.db2.gz LXJOUUREGIKMKE-DLRQAJBASA-N 1 0 235.293 3.617 20 0 BHADRO CC/C=C\CC[N@H+](C)CCc1ccc(F)cc1 ZINC000466834981 528787900 /nfs/dbraw/zinc/78/79/00/528787900.db2.gz MDEWXYURHSMJEZ-PLNGDYQASA-N 1 0 235.346 3.656 20 0 BHADRO CC/C=C/CC[N@H+](C)CCc1ccc(F)cc1 ZINC000466834982 528768706 /nfs/dbraw/zinc/76/87/06/528768706.db2.gz MDEWXYURHSMJEZ-SNAWJCMRSA-N 1 0 235.346 3.656 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1sccc1C ZINC000466836096 528768369 /nfs/dbraw/zinc/76/83/69/528768369.db2.gz RTXJPWBTMCMSOW-AATRIKPKSA-N 1 0 223.385 3.845 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1sccc1C ZINC000466836097 528787587 /nfs/dbraw/zinc/78/75/87/528787587.db2.gz RTXJPWBTMCMSOW-WAYWQWQTSA-N 1 0 223.385 3.845 20 0 BHADRO CC/C=C/CC[N@H+](CC)Cc1cccs1 ZINC000466838649 528770120 /nfs/dbraw/zinc/77/01/20/528770120.db2.gz RWHKOLYQHGVBKK-AATRIKPKSA-N 1 0 223.385 3.926 20 0 BHADRO CC/C=C\CC[N@H+](CC)Cc1cccs1 ZINC000466838650 528787913 /nfs/dbraw/zinc/78/79/13/528787913.db2.gz RWHKOLYQHGVBKK-WAYWQWQTSA-N 1 0 223.385 3.926 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccc(F)cc1 ZINC000466841209 528788235 /nfs/dbraw/zinc/78/82/35/528788235.db2.gz MFLSNXWNZMVKBQ-PLNGDYQASA-N 1 0 221.319 3.614 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccc(F)cc1 ZINC000466841210 528768789 /nfs/dbraw/zinc/76/87/89/528768789.db2.gz MFLSNXWNZMVKBQ-SNAWJCMRSA-N 1 0 221.319 3.614 20 0 BHADRO CC/C=C/CC[N@H+](CC)CCc1cccs1 ZINC000466841681 528770049 /nfs/dbraw/zinc/77/00/49/528770049.db2.gz NGNPVCDNAZMDPH-AATRIKPKSA-N 1 0 237.412 3.969 20 0 BHADRO CC/C=C\CC[N@H+](CC)CCc1cccs1 ZINC000466841682 528787333 /nfs/dbraw/zinc/78/73/33/528787333.db2.gz NGNPVCDNAZMDPH-WAYWQWQTSA-N 1 0 237.412 3.969 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1cccc(F)c1 ZINC000466845411 528788328 /nfs/dbraw/zinc/78/83/28/528788328.db2.gz ZDMSPGFXDNITIF-PLNGDYQASA-N 1 0 221.319 3.614 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1cccc(F)c1 ZINC000466845412 528768865 /nfs/dbraw/zinc/76/88/65/528768865.db2.gz ZDMSPGFXDNITIF-SNAWJCMRSA-N 1 0 221.319 3.614 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C/C=C/c1ccccc1 ZINC000466910656 529422752 /nfs/dbraw/zinc/42/27/52/529422752.db2.gz IWUQPHOYOSOONR-GZSUAUOCSA-N 1 0 229.367 3.820 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1C/C=C/c1ccccc1 ZINC000466910657 529439249 /nfs/dbraw/zinc/43/92/49/529439249.db2.gz IWUQPHOYOSOONR-IZBMSUHZSA-N 1 0 229.367 3.820 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C/C=C\c1ccccc1 ZINC000466910658 529422807 /nfs/dbraw/zinc/42/28/07/529422807.db2.gz IWUQPHOYOSOONR-RBWKAQPHSA-N 1 0 229.367 3.820 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1C/C=C\c1ccccc1 ZINC000466910659 529439491 /nfs/dbraw/zinc/43/94/91/529439491.db2.gz IWUQPHOYOSOONR-UUMOCBLWSA-N 1 0 229.367 3.820 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000466912741 529423224 /nfs/dbraw/zinc/42/32/24/529423224.db2.gz NBZVFYCKPRSVSA-BXUZGUMPSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000466912742 529325695 /nfs/dbraw/zinc/32/56/95/529325695.db2.gz NBZVFYCKPRSVSA-FZMZJTMJSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000466912743 529316469 /nfs/dbraw/zinc/31/64/69/529316469.db2.gz NBZVFYCKPRSVSA-RISCZKNCSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000466912744 529439943 /nfs/dbraw/zinc/43/99/43/529439943.db2.gz NBZVFYCKPRSVSA-SMDDNHRTSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCOc1ccccc1 ZINC000466915123 533828396 /nfs/dbraw/zinc/82/83/96/533828396.db2.gz GDGBAEZVISSWBD-GASCZTMLSA-N 1 0 247.382 3.718 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)sc1C ZINC000466915832 529325708 /nfs/dbraw/zinc/32/57/08/529325708.db2.gz MWWMFNRYMJSXDI-HZMBPMFUSA-N 1 0 237.412 3.985 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)sc1C ZINC000466915833 529439575 /nfs/dbraw/zinc/43/95/75/529439575.db2.gz MWWMFNRYMJSXDI-IINYFYTJSA-N 1 0 237.412 3.985 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)sc1C ZINC000466915834 529423384 /nfs/dbraw/zinc/42/33/84/529423384.db2.gz MWWMFNRYMJSXDI-QMTHXVAHSA-N 1 0 237.412 3.985 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)sc1C ZINC000466915835 529316340 /nfs/dbraw/zinc/31/63/40/529316340.db2.gz MWWMFNRYMJSXDI-YGRLFVJLSA-N 1 0 237.412 3.985 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCOc1ccccc1 ZINC000466916226 529316440 /nfs/dbraw/zinc/31/64/40/529316440.db2.gz QGRGKMHFXHYEDF-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCOc1ccccc1 ZINC000466916227 529325480 /nfs/dbraw/zinc/32/54/80/529325480.db2.gz QGRGKMHFXHYEDF-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCOc1ccccc1 ZINC000466916228 529423361 /nfs/dbraw/zinc/42/33/61/529423361.db2.gz QGRGKMHFXHYEDF-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCOc1ccccc1 ZINC000466916229 529439267 /nfs/dbraw/zinc/43/92/67/529439267.db2.gz QGRGKMHFXHYEDF-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CC1CCCCC1 ZINC000466916612 225003916 /nfs/dbraw/zinc/00/39/16/225003916.db2.gz JVNCFTDWRARJFM-BETUJISGSA-N 1 0 209.377 3.830 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000466917709 225004874 /nfs/dbraw/zinc/00/48/74/225004874.db2.gz FFJARPYKIGIBEY-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000466917710 533356203 /nfs/dbraw/zinc/35/62/03/533356203.db2.gz FFJARPYKIGIBEY-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000466917711 225003490 /nfs/dbraw/zinc/00/34/90/225003490.db2.gz FFJARPYKIGIBEY-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000466917712 533356559 /nfs/dbraw/zinc/35/65/59/533356559.db2.gz FFJARPYKIGIBEY-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1C ZINC000466920632 529316402 /nfs/dbraw/zinc/31/64/02/529316402.db2.gz RHIOMDUMTWPDNA-DOMZBBRYSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1C ZINC000466920633 529423552 /nfs/dbraw/zinc/42/35/52/529423552.db2.gz RHIOMDUMTWPDNA-IUODEOHRSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1C ZINC000466920634 529439818 /nfs/dbraw/zinc/43/98/18/529439818.db2.gz RHIOMDUMTWPDNA-SWLSCSKDSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1C ZINC000466920635 529325650 /nfs/dbraw/zinc/32/56/50/529325650.db2.gz RHIOMDUMTWPDNA-WFASDCNBSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C)cc1 ZINC000466922215 529439515 /nfs/dbraw/zinc/43/95/15/529439515.db2.gz VQKDIMCZSCIERR-DZGCQCFKSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C)cc1 ZINC000466922216 529316382 /nfs/dbraw/zinc/31/63/82/529316382.db2.gz VQKDIMCZSCIERR-HIFRSBDPSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C)cc1 ZINC000466922217 529423240 /nfs/dbraw/zinc/42/32/40/529423240.db2.gz VQKDIMCZSCIERR-UKRRQHHQSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C)cc1 ZINC000466922218 529325417 /nfs/dbraw/zinc/32/54/17/529325417.db2.gz VQKDIMCZSCIERR-ZFWWWQNUSA-N 1 0 217.356 3.615 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC1CCCC1 ZINC000466924244 533827234 /nfs/dbraw/zinc/82/72/34/533827234.db2.gz PGWXMIQBSKTYNU-BETUJISGSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000466926715 529423528 /nfs/dbraw/zinc/42/35/28/529423528.db2.gz MGSBCXLFPCRRME-GDBMZVCRSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000466926716 529439418 /nfs/dbraw/zinc/43/94/18/529439418.db2.gz MGSBCXLFPCRRME-GOEBONIOSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000466926717 529325546 /nfs/dbraw/zinc/32/55/46/529325546.db2.gz MGSBCXLFPCRRME-HOCLYGCPSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000466926718 529316162 /nfs/dbraw/zinc/31/61/62/529316162.db2.gz MGSBCXLFPCRRME-ZBFHGGJFSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000466927024 529423433 /nfs/dbraw/zinc/42/34/33/529423433.db2.gz WXLKINJWLYYUCP-BXUZGUMPSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000466927025 529325519 /nfs/dbraw/zinc/32/55/19/529325519.db2.gz WXLKINJWLYYUCP-FZMZJTMJSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000466927026 529316546 /nfs/dbraw/zinc/31/65/46/529316546.db2.gz WXLKINJWLYYUCP-RISCZKNCSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000466927027 529439394 /nfs/dbraw/zinc/43/93/94/529439394.db2.gz WXLKINJWLYYUCP-SMDDNHRTSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1C/C=C\c1ccccc1 ZINC000466927603 225004358 /nfs/dbraw/zinc/00/43/58/225004358.db2.gz RXFRIYRYYAKGFV-MCDRHDKESA-N 1 0 229.367 3.963 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1C/C=C/c1ccccc1 ZINC000466927604 225004271 /nfs/dbraw/zinc/00/42/71/225004271.db2.gz RXFRIYRYYAKGFV-QVHFTPCNSA-N 1 0 229.367 3.963 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C)c1 ZINC000466928689 529439745 /nfs/dbraw/zinc/43/97/45/529439745.db2.gz HIYFIYSVSVZKEI-DZGCQCFKSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C)c1 ZINC000466928690 529316139 /nfs/dbraw/zinc/31/61/39/529316139.db2.gz HIYFIYSVSVZKEI-HIFRSBDPSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C)c1 ZINC000466928691 529423430 /nfs/dbraw/zinc/42/34/30/529423430.db2.gz HIYFIYSVSVZKEI-UKRRQHHQSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C)c1 ZINC000466928692 529325597 /nfs/dbraw/zinc/32/55/97/529325597.db2.gz HIYFIYSVSVZKEI-ZFWWWQNUSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC1CCCCC1 ZINC000466930113 529439411 /nfs/dbraw/zinc/43/94/11/529439411.db2.gz FYFOBDNJFYBJCS-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CC1CCCCC1 ZINC000466930114 529325793 /nfs/dbraw/zinc/32/57/93/529325793.db2.gz FYFOBDNJFYBJCS-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC1CCCCC1 ZINC000466930115 529316369 /nfs/dbraw/zinc/31/63/69/529316369.db2.gz FYFOBDNJFYBJCS-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC1CCCCC1 ZINC000466930116 529422851 /nfs/dbraw/zinc/42/28/51/529422851.db2.gz FYFOBDNJFYBJCS-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCSc1ccccc1 ZINC000466930899 529325664 /nfs/dbraw/zinc/32/56/64/529325664.db2.gz MMQXKTXHBUIIPS-KBPBESRZSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCSc1ccccc1 ZINC000466930900 529316563 /nfs/dbraw/zinc/31/65/63/529316563.db2.gz MMQXKTXHBUIIPS-KGLIPLIRSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCSc1ccccc1 ZINC000466930901 529439476 /nfs/dbraw/zinc/43/94/76/529439476.db2.gz MMQXKTXHBUIIPS-UONOGXRCSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCSc1ccccc1 ZINC000466930902 529423538 /nfs/dbraw/zinc/42/35/38/529423538.db2.gz MMQXKTXHBUIIPS-ZIAGYGMSSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000466933531 529423203 /nfs/dbraw/zinc/42/32/03/529423203.db2.gz QZPKGXLAULJRCZ-IIAWOOMASA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](C)c1ccccc1 ZINC000466933532 529423352 /nfs/dbraw/zinc/42/33/52/529423352.db2.gz QZPKGXLAULJRCZ-IJEWVQPXSA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](C)c1ccccc1 ZINC000466933533 529439590 /nfs/dbraw/zinc/43/95/90/529439590.db2.gz QZPKGXLAULJRCZ-OFQRWUPVSA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000466933534 529439626 /nfs/dbraw/zinc/43/96/26/529439626.db2.gz QZPKGXLAULJRCZ-SQWLQELKSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466934409 534143237 /nfs/dbraw/zinc/14/32/37/534143237.db2.gz OUNDUDPQTIPBSU-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO CCSCC[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000466935189 529180025 /nfs/dbraw/zinc/18/00/25/529180025.db2.gz SIDRKETVAHIBCX-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCSCC[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000466935190 529180060 /nfs/dbraw/zinc/18/00/60/529180060.db2.gz SIDRKETVAHIBCX-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO Cc1cccc(OCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000466935339 225003516 /nfs/dbraw/zinc/00/35/16/225003516.db2.gz IXKQPRTVXXQEHC-GASCZTMLSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1Cl ZINC000466935987 529325773 /nfs/dbraw/zinc/32/57/73/529325773.db2.gz ZDKUGWYPVNLGKU-AAEUAGOBSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1Cl ZINC000466935988 529423469 /nfs/dbraw/zinc/42/34/69/529423469.db2.gz ZDKUGWYPVNLGKU-DGCLKSJQSA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1Cl ZINC000466935989 529439813 /nfs/dbraw/zinc/43/98/13/529439813.db2.gz ZDKUGWYPVNLGKU-WCQYABFASA-N 1 0 237.774 3.960 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1Cl ZINC000466935990 529316271 /nfs/dbraw/zinc/31/62/71/529316271.db2.gz ZDKUGWYPVNLGKU-YPMHNXCESA-N 1 0 237.774 3.960 20 0 BHADRO COCCCCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466936340 225004462 /nfs/dbraw/zinc/00/44/62/225004462.db2.gz QKTOUNNIBKQOAA-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC1CCCC1 ZINC000466936422 529439398 /nfs/dbraw/zinc/43/93/98/529439398.db2.gz RLQBEKIIHNFIBJ-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC1CCCC1 ZINC000466936423 529325610 /nfs/dbraw/zinc/32/56/10/529325610.db2.gz RLQBEKIIHNFIBJ-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC1CCCC1 ZINC000466936424 529316435 /nfs/dbraw/zinc/31/64/35/529316435.db2.gz RLQBEKIIHNFIBJ-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC1CCCC1 ZINC000466936425 529422970 /nfs/dbraw/zinc/42/29/70/529422970.db2.gz RLQBEKIIHNFIBJ-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cccnc1C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466937031 225005571 /nfs/dbraw/zinc/00/55/71/225005571.db2.gz ZANRRLAXKZCPQW-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC1(C)C[NH+](CCC(F)(F)F)CC(C)(C)C1 ZINC000466943131 529115194 /nfs/dbraw/zinc/11/51/94/529115194.db2.gz NDPQFNAYOWMRQN-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC[N@H+](CCC1CCCCC1)Cc1ccccn1 ZINC000466944521 528429615 /nfs/dbraw/zinc/42/96/15/528429615.db2.gz PAMUWPFGLGBZIB-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@H](COC)C1 ZINC000467118512 528502944 /nfs/dbraw/zinc/50/29/44/528502944.db2.gz IFGLOCZZSNPVLL-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@@H](COC)C1 ZINC000467118513 528502883 /nfs/dbraw/zinc/50/28/83/528502883.db2.gz IFGLOCZZSNPVLL-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000467149695 527474847 /nfs/dbraw/zinc/47/48/47/527474847.db2.gz QBGUGORMBGKYAY-CABCVRRESA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000467149696 527474973 /nfs/dbraw/zinc/47/49/73/527474973.db2.gz QBGUGORMBGKYAY-GJZGRUSLSA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000467149697 527475248 /nfs/dbraw/zinc/47/52/48/527475248.db2.gz QBGUGORMBGKYAY-HUUCEWRRSA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000467149698 527475176 /nfs/dbraw/zinc/47/51/76/527475176.db2.gz QBGUGORMBGKYAY-LSDHHAIUSA-N 1 0 221.388 3.831 20 0 BHADRO Cc1cccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)n1 ZINC000467149825 225006605 /nfs/dbraw/zinc/00/66/05/225006605.db2.gz GZWANIIMABJJFA-FMKPAKJESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)n1 ZINC000467149826 225007797 /nfs/dbraw/zinc/00/77/97/225007797.db2.gz GZWANIIMABJJFA-IIAWOOMASA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)n1 ZINC000467149827 225007591 /nfs/dbraw/zinc/00/75/91/225007591.db2.gz GZWANIIMABJJFA-IJEWVQPXSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)n1 ZINC000467149828 225007577 /nfs/dbraw/zinc/00/75/77/225007577.db2.gz GZWANIIMABJJFA-YCPHGPKFSA-N 1 0 244.382 3.543 20 0 BHADRO FCCC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000467179828 534432024 /nfs/dbraw/zinc/43/20/24/534432024.db2.gz BKJPHHYDNSDVNV-UHFFFAOYSA-N 1 0 249.373 3.881 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CCC(F)(F)F)c1 ZINC000467182817 225006896 /nfs/dbraw/zinc/00/68/96/225006896.db2.gz PMFXGQBKLWULLX-LLVKDONJSA-N 1 0 245.288 3.940 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CCC(F)(F)F)c1 ZINC000467182822 225007458 /nfs/dbraw/zinc/00/74/58/225007458.db2.gz PMFXGQBKLWULLX-NSHDSACASA-N 1 0 245.288 3.940 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000467191725 225006646 /nfs/dbraw/zinc/00/66/46/225006646.db2.gz QKYUCCZNOJOJID-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000467191726 225006833 /nfs/dbraw/zinc/00/68/33/225006833.db2.gz QKYUCCZNOJOJID-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467191727 225007403 /nfs/dbraw/zinc/00/74/03/225007403.db2.gz QKYUCCZNOJOJID-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467191728 225007358 /nfs/dbraw/zinc/00/73/58/225007358.db2.gz QKYUCCZNOJOJID-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(Cl)c1F ZINC000467194883 528003424 /nfs/dbraw/zinc/00/34/24/528003424.db2.gz FAQRFVPLRJUTBL-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC/C=C/CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000467197047 528769088 /nfs/dbraw/zinc/76/90/88/528769088.db2.gz RTHBJNDGSBQIJC-ISZGNANSSA-N 1 0 207.361 3.631 20 0 BHADRO CC/C=C/CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000467197048 528768415 /nfs/dbraw/zinc/76/84/15/528768415.db2.gz RTHBJNDGSBQIJC-NNTXTVRGSA-N 1 0 207.361 3.631 20 0 BHADRO CC/C=C\CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000467197049 528787670 /nfs/dbraw/zinc/78/76/70/528787670.db2.gz RTHBJNDGSBQIJC-WSNITJDQSA-N 1 0 207.361 3.631 20 0 BHADRO CC/C=C\CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000467197050 528787269 /nfs/dbraw/zinc/78/72/69/528787269.db2.gz RTHBJNDGSBQIJC-ZRUQZJFASA-N 1 0 207.361 3.631 20 0 BHADRO CC/C=C/CC[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000467197606 528772062 /nfs/dbraw/zinc/77/20/62/528772062.db2.gz OWXDOTBQTFDJIN-ISZGNANSSA-N 1 0 245.366 3.626 20 0 BHADRO CC/C=C/CC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000467197607 528772707 /nfs/dbraw/zinc/77/27/07/528772707.db2.gz OWXDOTBQTFDJIN-NNTXTVRGSA-N 1 0 245.366 3.626 20 0 BHADRO CC/C=C\CC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000467197608 528790347 /nfs/dbraw/zinc/79/03/47/528790347.db2.gz OWXDOTBQTFDJIN-WSNITJDQSA-N 1 0 245.366 3.626 20 0 BHADRO CC/C=C\CC[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000467197609 528790618 /nfs/dbraw/zinc/79/06/18/528790618.db2.gz OWXDOTBQTFDJIN-ZRUQZJFASA-N 1 0 245.366 3.626 20 0 BHADRO c1ccc2c(c1)C[N@@H+](CC1CCCC1)CC21CC1 ZINC000467203014 225006817 /nfs/dbraw/zinc/00/68/17/225006817.db2.gz VSXFXWQTJXDAKR-UHFFFAOYSA-N 1 0 241.378 3.724 20 0 BHADRO C[N@@H+](Cc1cccc(Cl)c1F)CC1CCC1 ZINC000467204418 529994193 /nfs/dbraw/zinc/99/41/93/529994193.db2.gz DFYQUSMHRDDNIW-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCCC(C)(C)C2)c1 ZINC000467283315 533700766 /nfs/dbraw/zinc/70/07/66/533700766.db2.gz IHIRHQOOMGETAQ-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCCC(C)(C)C2)c1 ZINC000467283316 533767688 /nfs/dbraw/zinc/76/76/88/533767688.db2.gz IHIRHQOOMGETAQ-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CC(C)=CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000467353840 527408542 /nfs/dbraw/zinc/40/85/42/527408542.db2.gz LNNUPBUWKMWQRK-HNNXBMFYSA-N 1 0 248.345 3.618 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000467353846 527408107 /nfs/dbraw/zinc/40/81/07/527408107.db2.gz LNNUPBUWKMWQRK-OAHLLOKOSA-N 1 0 248.345 3.618 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000467360260 533109351 /nfs/dbraw/zinc/10/93/51/533109351.db2.gz XAOUTYJUEHKNPI-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000467360261 533356598 /nfs/dbraw/zinc/35/65/98/533356598.db2.gz XAOUTYJUEHKNPI-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000467360262 225010871 /nfs/dbraw/zinc/01/08/71/225010871.db2.gz XAOUTYJUEHKNPI-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000467360263 225010868 /nfs/dbraw/zinc/01/08/68/225010868.db2.gz XAOUTYJUEHKNPI-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000467361894 533355196 /nfs/dbraw/zinc/35/51/96/533355196.db2.gz KMPCVFIIQIMAEB-FEPKRQSRSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000467361895 225009727 /nfs/dbraw/zinc/00/97/27/225009727.db2.gz KMPCVFIIQIMAEB-MRFVTOPCSA-N 1 0 241.419 3.604 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000467368929 528629007 /nfs/dbraw/zinc/62/90/07/528629007.db2.gz ITJGQTBZLOETCU-BFHYXJOUSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000467368930 528629965 /nfs/dbraw/zinc/62/99/65/528629965.db2.gz ITJGQTBZLOETCU-IHRRRGAJSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000467368931 528630378 /nfs/dbraw/zinc/63/03/78/528630378.db2.gz ITJGQTBZLOETCU-MELADBBJSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000467368932 528628670 /nfs/dbraw/zinc/62/86/70/528628670.db2.gz ITJGQTBZLOETCU-MJBXVCDLSA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000467374416 529708194 /nfs/dbraw/zinc/70/81/94/529708194.db2.gz WVUPTYKCSGJKOG-HEHGZKQESA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000467374417 529707883 /nfs/dbraw/zinc/70/78/83/529707883.db2.gz WVUPTYKCSGJKOG-WOSRLPQWSA-N 1 0 249.398 3.713 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000467374814 528234243 /nfs/dbraw/zinc/23/42/43/528234243.db2.gz BDTCSHYEGMEZSG-GUTXKFCHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000467374815 529018160 /nfs/dbraw/zinc/01/81/60/529018160.db2.gz BDTCSHYEGMEZSG-GZBFAFLISA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C1CCCCC1 ZINC000467374816 529018336 /nfs/dbraw/zinc/01/83/36/529018336.db2.gz BDTCSHYEGMEZSG-KCQAQPDRSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C1CCCCC1 ZINC000467374817 528235059 /nfs/dbraw/zinc/23/50/59/528235059.db2.gz BDTCSHYEGMEZSG-YDHLFZDLSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000467382645 533355593 /nfs/dbraw/zinc/35/55/93/533355593.db2.gz QIVCONRHHNQYQR-KKUMJFAQSA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000467382754 533110203 /nfs/dbraw/zinc/11/02/03/533110203.db2.gz QIVCONRHHNQYQR-RRFJBIMHSA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000467382755 225010125 /nfs/dbraw/zinc/01/01/25/225010125.db2.gz QIVCONRHHNQYQR-SOUVJXGZSA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000467382756 225010848 /nfs/dbraw/zinc/01/08/48/225010848.db2.gz QIVCONRHHNQYQR-ZNMIVQPWSA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000467383507 533110467 /nfs/dbraw/zinc/11/04/67/533110467.db2.gz UADMQBPAHBMCSG-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000467383508 225010714 /nfs/dbraw/zinc/01/07/14/225010714.db2.gz UADMQBPAHBMCSG-XDQVBPFNSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000467383509 533110428 /nfs/dbraw/zinc/11/04/28/533110428.db2.gz UADMQBPAHBMCSG-YIYPIFLZSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000467383510 225010761 /nfs/dbraw/zinc/01/07/61/225010761.db2.gz UADMQBPAHBMCSG-ZOBORPQBSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000467397088 529180789 /nfs/dbraw/zinc/18/07/89/529180789.db2.gz QHZLABDNZSQLRK-JTQLQIEISA-N 1 0 245.288 3.902 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000467397089 529374559 /nfs/dbraw/zinc/37/45/59/529374559.db2.gz QHZLABDNZSQLRK-SNVBAGLBSA-N 1 0 245.288 3.902 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000467405161 225011696 /nfs/dbraw/zinc/01/16/96/225011696.db2.gz FERNLOGRADNKHA-KKUMJFAQSA-N 1 0 231.383 3.875 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)C(C)C)C1 ZINC000467405162 225011690 /nfs/dbraw/zinc/01/16/90/225011690.db2.gz FERNLOGRADNKHA-RBSFLKMASA-N 1 0 231.383 3.875 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CC(C)C2)C1 ZINC000467408361 225011539 /nfs/dbraw/zinc/01/15/39/225011539.db2.gz QGNKLHJZFBVPCT-VIVVKUNJSA-N 1 0 229.367 3.629 20 0 BHADRO CC1(C)CC([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000467409169 528888437 /nfs/dbraw/zinc/88/84/37/528888437.db2.gz UMENHYXASTUEKC-UHFFFAOYSA-N 1 0 243.394 3.885 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000467433322 529623143 /nfs/dbraw/zinc/62/31/43/529623143.db2.gz PLUCYFFPGIMVEO-IPYPFGDCSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000467433323 529623356 /nfs/dbraw/zinc/62/33/56/529623356.db2.gz PLUCYFFPGIMVEO-KCQAQPDRSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C ZINC000467433324 529623306 /nfs/dbraw/zinc/62/33/06/529623306.db2.gz PLUCYFFPGIMVEO-VNHYZAJKSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000467433325 529622983 /nfs/dbraw/zinc/62/29/83/529622983.db2.gz PLUCYFFPGIMVEO-YDHLFZDLSA-N 1 0 246.398 3.731 20 0 BHADRO CC(C)C1CC([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000467434822 527626151 /nfs/dbraw/zinc/62/61/51/527626151.db2.gz WMITXIVRRHEAFO-UHFFFAOYSA-N 1 0 243.394 3.957 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000467437489 528790550 /nfs/dbraw/zinc/79/05/50/528790550.db2.gz BLHMLGMIHJYUQY-CFHLNLSMSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000467437490 528772717 /nfs/dbraw/zinc/77/27/17/528772717.db2.gz BLHMLGMIHJYUQY-GFUIURDCSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000467437491 528790170 /nfs/dbraw/zinc/79/01/70/528790170.db2.gz BLHMLGMIHJYUQY-SZZPACECSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000467437492 528773290 /nfs/dbraw/zinc/77/32/90/528773290.db2.gz BLHMLGMIHJYUQY-URWSZGRFSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000467438154 528790325 /nfs/dbraw/zinc/79/03/25/528790325.db2.gz FKXOQSMZVRHCFR-CFHLNLSMSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000467438155 528772606 /nfs/dbraw/zinc/77/26/06/528772606.db2.gz FKXOQSMZVRHCFR-GFUIURDCSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000467438156 528790672 /nfs/dbraw/zinc/79/06/72/528790672.db2.gz FKXOQSMZVRHCFR-SZZPACECSA-N 1 0 233.355 3.702 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000467438157 528772244 /nfs/dbraw/zinc/77/22/44/528772244.db2.gz FKXOQSMZVRHCFR-URWSZGRFSA-N 1 0 233.355 3.702 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccnc1 ZINC000467439113 529121762 /nfs/dbraw/zinc/12/17/62/529121762.db2.gz SKLWLEBBIXQBSP-DZKIICNBSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccnc1 ZINC000467439114 529122820 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3.711 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000467744357 528164266 /nfs/dbraw/zinc/16/42/66/528164266.db2.gz TUKCBZRIXQSYNR-SRMRTMHVSA-N 1 0 229.367 3.711 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000467744358 528163270 /nfs/dbraw/zinc/16/32/70/528163270.db2.gz TUKCBZRIXQSYNR-ZTTSNEECSA-N 1 0 229.367 3.711 20 0 BHADRO CC1CC([NH2+][C@]2(C)CCCc3ccccc32)C1 ZINC000467746016 528164284 /nfs/dbraw/zinc/16/42/84/528164284.db2.gz MZCZBOBYYOXHAT-LDZOIKDWSA-N 1 0 229.367 3.626 20 0 BHADRO CC1CC([NH2+][C@@]2(C)CCCc3ccccc32)C1 ZINC000467746017 528163579 /nfs/dbraw/zinc/16/35/79/528163579.db2.gz MZCZBOBYYOXHAT-PXCJXSSVSA-N 1 0 229.367 3.626 20 0 BHADRO CC1CC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000467747675 528163854 /nfs/dbraw/zinc/16/38/54/528163854.db2.gz UKZFERTYTLKLLP-BFUDSRACSA-N 1 0 249.320 3.743 20 0 BHADRO CC1CC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000467747676 528164173 /nfs/dbraw/zinc/16/41/73/528164173.db2.gz UKZFERTYTLKLLP-LVFLEHKBSA-N 1 0 249.320 3.743 20 0 BHADRO CC1CC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000467747677 528164519 /nfs/dbraw/zinc/16/45/19/528164519.db2.gz UKZFERTYTLKLLP-UPOSSJBDSA-N 1 0 249.320 3.743 20 0 BHADRO CC1CC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000467747678 528164325 /nfs/dbraw/zinc/16/43/25/528164325.db2.gz UKZFERTYTLKLLP-YECOWLKZSA-N 1 0 249.320 3.743 20 0 BHADRO CC1CC([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000467750273 528162591 /nfs/dbraw/zinc/16/25/91/528162591.db2.gz WXLFGTZEACAUQR-UHFFFAOYSA-N 1 0 229.367 3.540 20 0 BHADRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccccc1 ZINC000467854147 528018633 /nfs/dbraw/zinc/01/86/33/528018633.db2.gz UVXFMNOKBANHJJ-AWEZNQCLSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC(O)(CCC)C[NH2+][C@H](C)c1ccccc1 ZINC000467854148 528018893 /nfs/dbraw/zinc/01/88/93/528018893.db2.gz UVXFMNOKBANHJJ-CQSZACIVSA-N 1 0 249.398 3.669 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCCCCC1)CO2 ZINC000468024949 534503350 /nfs/dbraw/zinc/50/33/50/534503350.db2.gz DNACQZLCQMXMJP-AWEZNQCLSA-N 1 0 249.329 3.572 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CCCCCC1)CO2 ZINC000468024950 534504363 /nfs/dbraw/zinc/50/43/63/534504363.db2.gz DNACQZLCQMXMJP-CQSZACIVSA-N 1 0 249.329 3.572 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@H](C)C(C)C ZINC000468028028 225019045 /nfs/dbraw/zinc/01/90/45/225019045.db2.gz VAOKMTIDEAJIML-GFCCVEGCSA-N 1 0 245.366 3.918 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@@H](C)C(C)C ZINC000468028029 225019021 /nfs/dbraw/zinc/01/90/21/225019021.db2.gz VAOKMTIDEAJIML-LBPRGKRZSA-N 1 0 245.366 3.918 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)o1 ZINC000468030160 529722043 /nfs/dbraw/zinc/72/20/43/529722043.db2.gz OATKMKBRHWUQIQ-BDAKNGLRSA-N 1 0 249.276 3.834 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)o1 ZINC000468030161 529707159 /nfs/dbraw/zinc/70/71/59/529707159.db2.gz OATKMKBRHWUQIQ-DTWKUNHWSA-N 1 0 249.276 3.834 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)o1 ZINC000468030162 529721731 /nfs/dbraw/zinc/72/17/31/529721731.db2.gz OATKMKBRHWUQIQ-IUCAKERBSA-N 1 0 249.276 3.834 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)o1 ZINC000468030163 529707706 /nfs/dbraw/zinc/70/77/06/529707706.db2.gz OATKMKBRHWUQIQ-RKDXNWHRSA-N 1 0 249.276 3.834 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C1CC(C)C1 ZINC000468047559 225019420 /nfs/dbraw/zinc/01/94/20/225019420.db2.gz HXSRVXQCUUGJDO-UHFFFAOYSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@H](C)C1CC1 ZINC000468048365 225019962 /nfs/dbraw/zinc/01/99/62/225019962.db2.gz KPFBCJDNOZGTFY-LLVKDONJSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@@H](C)C1CC1 ZINC000468048366 225019926 /nfs/dbraw/zinc/01/99/26/225019926.db2.gz KPFBCJDNOZGTFY-NSHDSACASA-N 1 0 243.350 3.672 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1c(C)oc2ccccc21 ZINC000468049606 529374091 /nfs/dbraw/zinc/37/40/91/529374091.db2.gz OHUWQFLHYOJTFC-LLVKDONJSA-N 1 0 231.339 3.672 20 0 BHADRO CC[C@H](C)[NH2+]CCc1c(C)oc2ccccc21 ZINC000468049607 529180144 /nfs/dbraw/zinc/18/01/44/529180144.db2.gz OHUWQFLHYOJTFC-NSHDSACASA-N 1 0 231.339 3.672 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000468109550 529527945 /nfs/dbraw/zinc/52/79/45/529527945.db2.gz JPLDHRIDHYGPNK-BBRMVZONSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000468109551 529527863 /nfs/dbraw/zinc/52/78/63/529527863.db2.gz JPLDHRIDHYGPNK-CJNGLKHVSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000468109552 529400912 /nfs/dbraw/zinc/40/09/12/529400912.db2.gz JPLDHRIDHYGPNK-CZUORRHYSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000468109553 529400957 /nfs/dbraw/zinc/40/09/57/529400957.db2.gz JPLDHRIDHYGPNK-XJKSGUPXSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468116443 529400903 /nfs/dbraw/zinc/40/09/03/529400903.db2.gz YILLOCMXKSAWBY-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468116444 529528070 /nfs/dbraw/zinc/52/80/70/529528070.db2.gz YILLOCMXKSAWBY-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468116445 529401195 /nfs/dbraw/zinc/40/11/95/529401195.db2.gz YILLOCMXKSAWBY-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468116446 529527717 /nfs/dbraw/zinc/52/77/17/529527717.db2.gz YILLOCMXKSAWBY-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468121666 528486465 /nfs/dbraw/zinc/48/64/65/528486465.db2.gz TVZXWEVHRPCXBW-JTQLQIEISA-N 1 0 239.309 3.684 20 0 BHADRO CCCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000468121667 528487025 /nfs/dbraw/zinc/48/70/25/528487025.db2.gz TVZXWEVHRPCXBW-SNVBAGLBSA-N 1 0 239.309 3.684 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC3(CCC3)C2)c1 ZINC000468128313 225020813 /nfs/dbraw/zinc/02/08/13/225020813.db2.gz YKOKNMVWEYMSSW-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC3(CCC3)C2)c1 ZINC000468128314 225020938 /nfs/dbraw/zinc/02/09/38/225020938.db2.gz YKOKNMVWEYMSSW-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC2(CCC2)C1 ZINC000468129838 225021334 /nfs/dbraw/zinc/02/13/34/225021334.db2.gz MFPIIZHWQLJNNH-INIZCTEOSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC2(CCC2)C1 ZINC000468129843 225021427 /nfs/dbraw/zinc/02/14/27/225021427.db2.gz MFPIIZHWQLJNNH-MRXNPFEDSA-N 1 0 241.378 3.940 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C)CC2)c1 ZINC000468144806 533769878 /nfs/dbraw/zinc/76/98/78/533769878.db2.gz KWVKSYKJQUDLIG-KBPBESRZSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC000468144807 533770241 /nfs/dbraw/zinc/77/02/41/533770241.db2.gz KWVKSYKJQUDLIG-KGLIPLIRSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C)CC2)c1 ZINC000468144808 533703625 /nfs/dbraw/zinc/70/36/25/533703625.db2.gz KWVKSYKJQUDLIG-UONOGXRCSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC000468144809 533701337 /nfs/dbraw/zinc/70/13/37/533701337.db2.gz KWVKSYKJQUDLIG-ZIAGYGMSSA-N 1 0 247.382 3.878 20 0 BHADRO C[C@@H](C[N@@H+]1CCC2(CCC2)C1)c1ccccc1 ZINC000468149648 533807359 /nfs/dbraw/zinc/80/73/59/533807359.db2.gz ZFAUDZMNJVGGPA-AWEZNQCLSA-N 1 0 229.367 3.666 20 0 BHADRO C[C@H](C[N@@H+]1CCC2(CCC2)C1)c1ccccc1 ZINC000468149649 225020885 /nfs/dbraw/zinc/02/08/85/225020885.db2.gz ZFAUDZMNJVGGPA-CQSZACIVSA-N 1 0 229.367 3.666 20 0 BHADRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000468231143 225023347 /nfs/dbraw/zinc/02/33/47/225023347.db2.gz POCUALPEUGBADS-CABCVRRESA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000468231144 225023055 /nfs/dbraw/zinc/02/30/55/225023055.db2.gz POCUALPEUGBADS-GJZGRUSLSA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@H]1CCCC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000468231145 225022149 /nfs/dbraw/zinc/02/21/49/225022149.db2.gz POCUALPEUGBADS-HUUCEWRRSA-N 1 0 241.419 3.560 20 0 BHADRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000468231146 225023187 /nfs/dbraw/zinc/02/31/87/225023187.db2.gz POCUALPEUGBADS-LSDHHAIUSA-N 1 0 241.419 3.560 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCCC[C@H](C)C2)c1 ZINC000468261550 533770976 /nfs/dbraw/zinc/77/09/76/533770976.db2.gz VMGBXRUDDXNOFX-KBPBESRZSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC000468261551 533770165 /nfs/dbraw/zinc/77/01/65/533770165.db2.gz VMGBXRUDDXNOFX-KGLIPLIRSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCCC[C@H](C)C2)c1 ZINC000468261552 533701060 /nfs/dbraw/zinc/70/10/60/533701060.db2.gz VMGBXRUDDXNOFX-UONOGXRCSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC000468261553 533702007 /nfs/dbraw/zinc/70/20/07/533702007.db2.gz VMGBXRUDDXNOFX-ZIAGYGMSSA-N 1 0 247.382 3.878 20 0 BHADRO C[C@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000468396262 225025679 /nfs/dbraw/zinc/02/56/79/225025679.db2.gz BYTHDLYYKANYHE-UNXYVOJBSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000468396263 534028718 /nfs/dbraw/zinc/02/87/18/534028718.db2.gz BYTHDLYYKANYHE-VOMCLLRMSA-N 1 0 249.320 3.697 20 0 BHADRO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C ZINC000468398286 533780457 /nfs/dbraw/zinc/78/04/57/533780457.db2.gz AVXAJLJEBOMVJQ-LLVKDONJSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C ZINC000468398287 533780278 /nfs/dbraw/zinc/78/02/78/533780278.db2.gz AVXAJLJEBOMVJQ-NSHDSACASA-N 1 0 223.747 3.633 20 0 BHADRO CCCCOc1ccccc1C[N@H+](C)CC1CC1 ZINC000468402733 528700318 /nfs/dbraw/zinc/70/03/18/528700318.db2.gz LPSQXFNLHFBTSM-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCCCOc1ccccc1C[N@H+](C)C1CCC1 ZINC000468405474 528700600 /nfs/dbraw/zinc/70/06/00/528700600.db2.gz MTZGLHDDKURQFW-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO Cc1cc(Cl)ccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000468406032 533779010 /nfs/dbraw/zinc/77/90/10/533779010.db2.gz SHEYPDIIONTWMP-LLVKDONJSA-N 1 0 237.774 3.879 20 0 BHADRO Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000468406033 533779397 /nfs/dbraw/zinc/77/93/97/533779397.db2.gz SHEYPDIIONTWMP-NSHDSACASA-N 1 0 237.774 3.879 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1C)C1CC1 ZINC000468406544 528783900 /nfs/dbraw/zinc/78/39/00/528783900.db2.gz CJAVLURAWXZWKQ-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1cc(Cl)ccc1C[N@@H+]1CCC12CCC2 ZINC000468408114 533778424 /nfs/dbraw/zinc/77/84/24/533778424.db2.gz LGDTWMPBVAIHBV-UHFFFAOYSA-N 1 0 235.758 3.777 20 0 BHADRO CCCCOc1ccccc1C[N@H+](C)C(C)C ZINC000468412210 386159879 /nfs/dbraw/zinc/15/98/79/386159879.db2.gz MLNAHJBKSSGMML-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000468511475 528870383 /nfs/dbraw/zinc/87/03/83/528870383.db2.gz SJJUTWOEFUXBLH-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000468511476 528874193 /nfs/dbraw/zinc/87/41/93/528874193.db2.gz SJJUTWOEFUXBLH-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000468511477 528867881 /nfs/dbraw/zinc/86/78/81/528867881.db2.gz SJJUTWOEFUXBLH-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000468511478 528874482 /nfs/dbraw/zinc/87/44/82/528874482.db2.gz SJJUTWOEFUXBLH-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CCCO1 ZINC000468512504 225028241 /nfs/dbraw/zinc/02/82/41/225028241.db2.gz ZSIQDIWPXGLVDH-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@]1(C)CCCO1 ZINC000468512505 225028770 /nfs/dbraw/zinc/02/87/70/225028770.db2.gz ZSIQDIWPXGLVDH-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CCCO1 ZINC000468512506 225028118 /nfs/dbraw/zinc/02/81/18/225028118.db2.gz ZSIQDIWPXGLVDH-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@]1(C)CCCO1 ZINC000468512507 225029070 /nfs/dbraw/zinc/02/90/70/225029070.db2.gz ZSIQDIWPXGLVDH-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000468547700 225028573 /nfs/dbraw/zinc/02/85/73/225028573.db2.gz KHIBFELAPROKIO-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000468547701 532967607 /nfs/dbraw/zinc/96/76/07/532967607.db2.gz KHIBFELAPROKIO-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000468547702 532964199 /nfs/dbraw/zinc/96/41/99/532964199.db2.gz KHIBFELAPROKIO-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000468547703 532966637 /nfs/dbraw/zinc/96/66/37/532966637.db2.gz KHIBFELAPROKIO-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000468550582 527705575 /nfs/dbraw/zinc/70/55/75/527705575.db2.gz ARGITGIRPVYVNR-CABCVRRESA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000468550583 527706380 /nfs/dbraw/zinc/70/63/80/527706380.db2.gz ARGITGIRPVYVNR-GJZGRUSLSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000468550584 527705655 /nfs/dbraw/zinc/70/56/55/527705655.db2.gz ARGITGIRPVYVNR-HUUCEWRRSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000468550585 527706375 /nfs/dbraw/zinc/70/63/75/527706375.db2.gz ARGITGIRPVYVNR-LSDHHAIUSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CCCC(C)C ZINC000468551038 529420851 /nfs/dbraw/zinc/42/08/51/529420851.db2.gz BYAQXHZTNLJETM-QLFBSQMISA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CCCC(C)C ZINC000468551039 529421018 /nfs/dbraw/zinc/42/10/18/529421018.db2.gz BYAQXHZTNLJETM-RBSFLKMASA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CCCC(C)C ZINC000468551040 529423067 /nfs/dbraw/zinc/42/30/67/529423067.db2.gz BYAQXHZTNLJETM-RRFJBIMHSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CCCC(C)C ZINC000468551041 529423180 /nfs/dbraw/zinc/42/31/80/529423180.db2.gz BYAQXHZTNLJETM-SOUVJXGZSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000468551280 533765815 /nfs/dbraw/zinc/76/58/15/533765815.db2.gz CWFWLHSXJBJPAL-CYBMUJFWSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000468551281 533504490 /nfs/dbraw/zinc/50/44/90/533504490.db2.gz CWFWLHSXJBJPAL-ZDUSSCGKSA-N 1 0 247.382 3.622 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)CCC1CCCC1)C(C)C ZINC000468552417 225028056 /nfs/dbraw/zinc/02/80/56/225028056.db2.gz HMIMPEGPRKXLBA-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)CCC1CCCC1)C(C)C ZINC000468552418 225028886 /nfs/dbraw/zinc/02/88/86/225028886.db2.gz HMIMPEGPRKXLBA-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)CCC1CCCC1)C(C)C ZINC000468552619 225028102 /nfs/dbraw/zinc/02/81/02/225028102.db2.gz HMIMPEGPRKXLBA-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)CCC1CCCC1)C(C)C ZINC000468552620 225028208 /nfs/dbraw/zinc/02/82/08/225028208.db2.gz HMIMPEGPRKXLBA-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1CCOCC1 ZINC000468554415 529199145 /nfs/dbraw/zinc/19/91/45/529199145.db2.gz NJGVBUHSGJCXRU-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)C1CCOCC1 ZINC000468554416 529664404 /nfs/dbraw/zinc/66/44/04/529664404.db2.gz NJGVBUHSGJCXRU-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1CCOCC1 ZINC000468554417 529204761 /nfs/dbraw/zinc/20/47/61/529204761.db2.gz NJGVBUHSGJCXRU-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1CCOCC1 ZINC000468554418 529649635 /nfs/dbraw/zinc/64/96/35/529649635.db2.gz NJGVBUHSGJCXRU-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(C[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000468561746 533041363 /nfs/dbraw/zinc/04/13/63/533041363.db2.gz WEAFUAMRBRWUGP-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(C[NH2+][C@H](C)CCC(C)C)CC1 ZINC000468561747 533041864 /nfs/dbraw/zinc/04/18/64/533041864.db2.gz WEAFUAMRBRWUGP-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000468695406 528877342 /nfs/dbraw/zinc/87/73/42/528877342.db2.gz SKQFALYXFLNAGQ-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000468695407 528032890 /nfs/dbraw/zinc/03/28/90/528032890.db2.gz SKQFALYXFLNAGQ-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000468695408 528876540 /nfs/dbraw/zinc/87/65/40/528876540.db2.gz SKQFALYXFLNAGQ-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000468695409 528033016 /nfs/dbraw/zinc/03/30/16/528033016.db2.gz SKQFALYXFLNAGQ-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000468699315 528751542 /nfs/dbraw/zinc/75/15/42/528751542.db2.gz TWZFDRHFRFOQMF-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000468699316 528752627 /nfs/dbraw/zinc/75/26/27/528752627.db2.gz TWZFDRHFRFOQMF-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[N@H+](CCC(C)(C)OC)Cc1ccccc1 ZINC000468770636 528033610 /nfs/dbraw/zinc/03/36/10/528033610.db2.gz BGOBCQOSQZOUIQ-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@@H](C)C(C)C)cc1 ZINC000468798452 528192691 /nfs/dbraw/zinc/19/26/91/528192691.db2.gz BLPHYVKVJZUSJU-AWEZNQCLSA-N 1 0 248.414 3.985 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@H](C)C(C)C)cc1 ZINC000468798604 528192923 /nfs/dbraw/zinc/19/29/23/528192923.db2.gz BLPHYVKVJZUSJU-CQSZACIVSA-N 1 0 248.414 3.985 20 0 BHADRO CCc1cccc(C[N@H+](C)C2CCCC2)c1 ZINC000468810648 529168108 /nfs/dbraw/zinc/16/81/08/529168108.db2.gz DADMEYRMFNKFEZ-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(F)cn1 ZINC000468823229 528404665 /nfs/dbraw/zinc/40/46/65/528404665.db2.gz FAFKSOKIBAKOJI-UHFFFAOYSA-N 1 0 238.350 3.623 20 0 BHADRO CC(C)[N@H+](CCc1ccccc1F)C1CCC1 ZINC000468833435 528913356 /nfs/dbraw/zinc/91/33/56/528913356.db2.gz DPXXZLIJHDMINP-UHFFFAOYSA-N 1 0 235.346 3.631 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000468837826 528089619 /nfs/dbraw/zinc/08/96/19/528089619.db2.gz FNSCYCNLKHPPSW-BBRMVZONSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000468837956 528089086 /nfs/dbraw/zinc/08/90/86/528089086.db2.gz FNSCYCNLKHPPSW-CJNGLKHVSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000468837978 528089501 /nfs/dbraw/zinc/08/95/01/528089501.db2.gz FNSCYCNLKHPPSW-CZUORRHYSA-N 1 0 231.383 3.598 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000468838814 528088808 /nfs/dbraw/zinc/08/88/08/528088808.db2.gz FNSCYCNLKHPPSW-XJKSGUPXSA-N 1 0 231.383 3.598 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000468848461 532950335 /nfs/dbraw/zinc/95/03/35/532950335.db2.gz GISKQVLCFXZOFT-AWEZNQCLSA-N 1 0 249.398 3.803 20 0 BHADRO CCc1cccc(C[N@H+](C(C)C)C2CC2)c1 ZINC000468874657 529168039 /nfs/dbraw/zinc/16/80/39/529168039.db2.gz HRPFVVOWAHGYEQ-UHFFFAOYSA-N 1 0 217.356 3.622 20 0 BHADRO CCC(CC)C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000468880982 528762198 /nfs/dbraw/zinc/76/21/98/528762198.db2.gz IVJLFEZDFPHIMF-UHFFFAOYSA-N 1 0 249.398 3.577 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000468903180 529202119 /nfs/dbraw/zinc/20/21/19/529202119.db2.gz IJKFLCAORJPFPR-AWEZNQCLSA-N 1 0 235.346 3.633 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000468903454 529274136 /nfs/dbraw/zinc/27/41/36/529274136.db2.gz IJKFLCAORJPFPR-CQSZACIVSA-N 1 0 235.346 3.633 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCF)c2ccccc2)cc1 ZINC000468910910 225032264 /nfs/dbraw/zinc/03/22/64/225032264.db2.gz IKFXYZZJVMTJRL-INIZCTEOSA-N 1 0 243.325 3.644 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCF)c2ccccc2)cc1 ZINC000468911023 225032433 /nfs/dbraw/zinc/03/24/33/225032433.db2.gz IKFXYZZJVMTJRL-MRXNPFEDSA-N 1 0 243.325 3.644 20 0 BHADRO CCC(CC)C[N@H+](CC)CCC(C)(C)OC ZINC000468933587 528743746 /nfs/dbraw/zinc/74/37/46/528743746.db2.gz KRQLWUCPENGFRD-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCOC)C1CCCCC1 ZINC000469003393 529018818 /nfs/dbraw/zinc/01/88/18/529018818.db2.gz MCYVIRHSHOEHNR-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CCOC)C1CCCCC1 ZINC000469003569 528238653 /nfs/dbraw/zinc/23/86/53/528238653.db2.gz MCYVIRHSHOEHNR-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CCOC)C1CCCCC1 ZINC000469003740 529021577 /nfs/dbraw/zinc/02/15/77/529021577.db2.gz MCYVIRHSHOEHNR-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CCOC)C1CCCCC1 ZINC000469003790 528233638 /nfs/dbraw/zinc/23/36/38/528233638.db2.gz MCYVIRHSHOEHNR-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000469005906 534258278 /nfs/dbraw/zinc/25/82/78/534258278.db2.gz MFWUGEYDIVSGAS-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000469006079 225034090 /nfs/dbraw/zinc/03/40/90/225034090.db2.gz MFWUGEYDIVSGAS-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)C1CCCCC1 ZINC000469006163 533500664 /nfs/dbraw/zinc/50/06/64/533500664.db2.gz MFWUGEYDIVSGAS-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)C1CCCCC1 ZINC000469006199 225034362 /nfs/dbraw/zinc/03/43/62/225034362.db2.gz MFWUGEYDIVSGAS-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCc1cccc(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000469011609 529168533 /nfs/dbraw/zinc/16/85/33/529168533.db2.gz PRXOETJFDIAOPS-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000469034394 532950191 /nfs/dbraw/zinc/95/01/91/532950191.db2.gz RTDBFPIPOYCSSF-AWEZNQCLSA-N 1 0 249.398 3.803 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000469034542 532950487 /nfs/dbraw/zinc/95/04/87/532950487.db2.gz RTDBFPIPOYCSSF-CQSZACIVSA-N 1 0 249.398 3.803 20 0 BHADRO CCc1cccc(C[N@H+](C)Cc2cccs2)c1 ZINC000469036768 529168524 /nfs/dbraw/zinc/16/85/24/529168524.db2.gz SWDARRIWNOMGJR-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000469041746 528879007 /nfs/dbraw/zinc/87/90/07/528879007.db2.gz RXCPZMHFTKFPRW-GFCCVEGCSA-N 1 0 249.398 3.577 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000469041951 528034267 /nfs/dbraw/zinc/03/42/67/528034267.db2.gz RXCPZMHFTKFPRW-LBPRGKRZSA-N 1 0 249.398 3.577 20 0 BHADRO CCCC[N@H+](CCc1ccccc1F)C1CC1 ZINC000469047008 528439687 /nfs/dbraw/zinc/43/96/87/528439687.db2.gz PFAZKZQRSWIBMR-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000469054102 528377034 /nfs/dbraw/zinc/37/70/34/528377034.db2.gz SOHUHNFCIYJFMZ-HNNXBMFYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000469054241 528587801 /nfs/dbraw/zinc/58/78/01/528587801.db2.gz SOHUHNFCIYJFMZ-OAHLLOKOSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469078597 225036061 /nfs/dbraw/zinc/03/60/61/225036061.db2.gz UNWSQPQLTVQSMA-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000469078767 225035516 /nfs/dbraw/zinc/03/55/16/225035516.db2.gz UNWSQPQLTVQSMA-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000469089860 225035480 /nfs/dbraw/zinc/03/54/80/225035480.db2.gz UIUKAPJHBNCPJB-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000469090055 225035119 /nfs/dbraw/zinc/03/51/19/225035119.db2.gz UIUKAPJHBNCPJB-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000469090196 225035111 /nfs/dbraw/zinc/03/51/11/225035111.db2.gz UIUKAPJHBNCPJB-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000469090354 225035894 /nfs/dbraw/zinc/03/58/94/225035894.db2.gz UIUKAPJHBNCPJB-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000469100417 533826062 /nfs/dbraw/zinc/82/60/62/533826062.db2.gz WZMLUYSHOSKSKR-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000469100618 533825283 /nfs/dbraw/zinc/82/52/83/533825283.db2.gz WZMLUYSHOSKSKR-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000469100670 533824954 /nfs/dbraw/zinc/82/49/54/533824954.db2.gz WZMLUYSHOSKSKR-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000469100781 533826338 /nfs/dbraw/zinc/82/63/38/533826338.db2.gz WZMLUYSHOSKSKR-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1CC1)Cc1ccccc1 ZINC000469103418 529012018 /nfs/dbraw/zinc/01/20/18/529012018.db2.gz XJNYHJUSPDYMBM-INIZCTEOSA-N 1 0 231.383 3.501 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1CC1)Cc1ccccc1 ZINC000469103473 528463879 /nfs/dbraw/zinc/46/38/79/528463879.db2.gz XJNYHJUSPDYMBM-MRXNPFEDSA-N 1 0 231.383 3.501 20 0 BHADRO CC(C)c1ccc(CC[N@H+](C)C2CCC2)cc1 ZINC000469104147 528086160 /nfs/dbraw/zinc/08/61/60/528086160.db2.gz RRDMCXPCUYTCQG-UHFFFAOYSA-N 1 0 231.383 3.837 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)Cc1ccccc1C ZINC000469134595 528406367 /nfs/dbraw/zinc/40/63/67/528406367.db2.gz ZGUJLCWYOFSORQ-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000469139448 225037448 /nfs/dbraw/zinc/03/74/48/225037448.db2.gz UDYGKNWBGAPPPT-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000469139528 225036872 /nfs/dbraw/zinc/03/68/72/225036872.db2.gz UDYGKNWBGAPPPT-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCc1ccccc1F)C1CC1 ZINC000469142442 225037406 /nfs/dbraw/zinc/03/74/06/225037406.db2.gz KQNQKJHQSHIDLJ-GFCCVEGCSA-N 1 0 247.357 3.631 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCc1ccccc1F)C1CC1 ZINC000469142587 225036824 /nfs/dbraw/zinc/03/68/24/225036824.db2.gz KQNQKJHQSHIDLJ-LBPRGKRZSA-N 1 0 247.357 3.631 20 0 BHADRO COC[C@H](C)[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000469159719 225037393 /nfs/dbraw/zinc/03/73/93/225037393.db2.gz TUGUVMNPVSCIQD-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000469159871 225037208 /nfs/dbraw/zinc/03/72/08/225037208.db2.gz TUGUVMNPVSCIQD-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000469159877 225036504 /nfs/dbraw/zinc/03/65/04/225036504.db2.gz TUGUVMNPVSCIQD-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000469159885 225037070 /nfs/dbraw/zinc/03/70/70/225037070.db2.gz TUGUVMNPVSCIQD-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO CCCCC[N@H+](CCC(C)(C)OC)C(C)C ZINC000469166945 528167302 /nfs/dbraw/zinc/16/73/02/528167302.db2.gz PSRQKWXIBYPMQQ-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000469168014 225036711 /nfs/dbraw/zinc/03/67/11/225036711.db2.gz VFQSTYOYRXFMGS-GDBMZVCRSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000469168042 225036741 /nfs/dbraw/zinc/03/67/41/225036741.db2.gz VFQSTYOYRXFMGS-GOEBONIOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000469168074 225036941 /nfs/dbraw/zinc/03/69/41/225036941.db2.gz VFQSTYOYRXFMGS-HOCLYGCPSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000469168104 225037415 /nfs/dbraw/zinc/03/74/15/225037415.db2.gz VFQSTYOYRXFMGS-ZBFHGGJFSA-N 1 0 247.357 3.633 20 0 BHADRO CCCCC[N@H+](Cc1ccc(F)cn1)C(C)C ZINC000469211870 528181388 /nfs/dbraw/zinc/18/13/88/528181388.db2.gz XIRRAHSEMDKHBG-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO COC[C@H](C)[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000469280462 225040046 /nfs/dbraw/zinc/04/00/46/225040046.db2.gz RQMCUEVPSZIWRU-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000469280484 225039628 /nfs/dbraw/zinc/03/96/28/225039628.db2.gz RQMCUEVPSZIWRU-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000469280493 225040199 /nfs/dbraw/zinc/04/01/99/225040199.db2.gz RQMCUEVPSZIWRU-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000469280504 225040365 /nfs/dbraw/zinc/04/03/65/225040365.db2.gz RQMCUEVPSZIWRU-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO COCC[N@H+](Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000469444210 225042536 /nfs/dbraw/zinc/04/25/36/225042536.db2.gz IDAFXGVBZXNKHQ-AWEZNQCLSA-N 1 0 249.398 3.570 20 0 BHADRO COCC[N@H+](Cc1ccccc1)[C@H](C)C(C)(C)C ZINC000469444211 225042325 /nfs/dbraw/zinc/04/23/25/225042325.db2.gz IDAFXGVBZXNKHQ-CQSZACIVSA-N 1 0 249.398 3.570 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469450569 528486197 /nfs/dbraw/zinc/48/61/97/528486197.db2.gz QUGROPQYRCTIPH-LLVKDONJSA-N 1 0 239.309 3.554 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469450570 528485841 /nfs/dbraw/zinc/48/58/41/528485841.db2.gz QUGROPQYRCTIPH-NSHDSACASA-N 1 0 239.309 3.554 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)CC1 ZINC000469564395 528690384 /nfs/dbraw/zinc/69/03/84/528690384.db2.gz YCBDXNWLHVNTQE-CABCVRRESA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)CC1 ZINC000469564396 527792293 /nfs/dbraw/zinc/79/22/93/527792293.db2.gz YCBDXNWLHVNTQE-GJZGRUSLSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)CC1 ZINC000469564397 528681274 /nfs/dbraw/zinc/68/12/74/528681274.db2.gz YCBDXNWLHVNTQE-HUUCEWRRSA-N 1 0 234.387 3.709 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)CC1 ZINC000469564398 527788236 /nfs/dbraw/zinc/78/82/36/527788236.db2.gz YCBDXNWLHVNTQE-LSDHHAIUSA-N 1 0 234.387 3.709 20 0 BHADRO COC(C)(C)CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000469591903 532950420 /nfs/dbraw/zinc/95/04/20/532950420.db2.gz YXGWBVSILPNBJL-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)(C)OC ZINC000469594819 529229085 /nfs/dbraw/zinc/22/90/85/529229085.db2.gz LTRDKIHIPUZOST-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)(C)OC ZINC000469594820 529406768 /nfs/dbraw/zinc/40/67/68/529406768.db2.gz LTRDKIHIPUZOST-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC(C)(C)OC ZINC000469594821 529267389 /nfs/dbraw/zinc/26/73/89/529267389.db2.gz LTRDKIHIPUZOST-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC(C)(C)OC ZINC000469594822 529425840 /nfs/dbraw/zinc/42/58/40/529425840.db2.gz LTRDKIHIPUZOST-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@H+](CC(C)C)C1CCCC1 ZINC000469597313 532949764 /nfs/dbraw/zinc/94/97/64/532949764.db2.gz SCJPIUILKWWEEB-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCc1cccc(C[N@@H+](CC)C2CCC2)c1 ZINC000469599341 529167988 /nfs/dbraw/zinc/16/79/88/529167988.db2.gz SPPMGTNXISDBOC-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(C)(C)OC)C1CC1 ZINC000469604629 529391505 /nfs/dbraw/zinc/39/15/05/529391505.db2.gz KBBRKCPVRJPHAS-CHWSQXEVSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCC(C)(C)OC)C1CC1 ZINC000469604630 529411645 /nfs/dbraw/zinc/41/16/45/529411645.db2.gz KBBRKCPVRJPHAS-OLZOCXBDSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCC(C)(C)OC)C1CC1 ZINC000469604631 529202775 /nfs/dbraw/zinc/20/27/75/529202775.db2.gz KBBRKCPVRJPHAS-QWHCGFSZSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCC(C)(C)OC)C1CC1 ZINC000469604632 529238389 /nfs/dbraw/zinc/23/83/89/529238389.db2.gz KBBRKCPVRJPHAS-STQMWFEESA-N 1 0 241.419 3.701 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000469610472 532950277 /nfs/dbraw/zinc/95/02/77/532950277.db2.gz BTZOXTKJBPOEOP-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000469610473 532950131 /nfs/dbraw/zinc/95/01/31/532950131.db2.gz BTZOXTKJBPOEOP-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000469611916 532949906 /nfs/dbraw/zinc/94/99/06/532949906.db2.gz SZAPRFWQILQHHK-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000469611917 532949918 /nfs/dbraw/zinc/94/99/18/532949918.db2.gz SZAPRFWQILQHHK-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CCc1cccc(C[N@H+](C)CCC(F)(F)F)c1 ZINC000469612902 529168169 /nfs/dbraw/zinc/16/81/69/529168169.db2.gz GHKYWLSAJHBWMJ-UHFFFAOYSA-N 1 0 245.288 3.633 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCC(C)(C)OC)C1 ZINC000469614321 527934382 /nfs/dbraw/zinc/93/43/82/527934382.db2.gz YNDFJLFFABOKPP-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCC(C)(C)OC)C1 ZINC000469614322 528501428 /nfs/dbraw/zinc/50/14/28/528501428.db2.gz YNDFJLFFABOKPP-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO COC(C)(C)CC[N@H+](C(C)C)C1CCCCC1 ZINC000469715108 532950283 /nfs/dbraw/zinc/95/02/83/532950283.db2.gz JZYIDLDHGKJRQS-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)OC ZINC000469719234 528442411 /nfs/dbraw/zinc/44/24/11/528442411.db2.gz YGRPAKVPHIIZDQ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC(C)(C)OC ZINC000469719235 528444355 /nfs/dbraw/zinc/44/43/55/528444355.db2.gz YGRPAKVPHIIZDQ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)OC ZINC000469719236 527875962 /nfs/dbraw/zinc/87/59/62/527875962.db2.gz YGRPAKVPHIIZDQ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC(C)(C)OC ZINC000469719237 527878023 /nfs/dbraw/zinc/87/80/23/527878023.db2.gz YGRPAKVPHIIZDQ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000469719303 532950073 /nfs/dbraw/zinc/95/00/73/532950073.db2.gz DFKXJKCQCBCDHI-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000469719304 532949912 /nfs/dbraw/zinc/94/99/12/532949912.db2.gz DFKXJKCQCBCDHI-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCCC12CCCCC2 ZINC000469723074 532950141 /nfs/dbraw/zinc/95/01/41/532950141.db2.gz MDNUAJDBZZTNCR-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CCC1CCC([N@H+](C)CCC(C)(C)OC)CC1 ZINC000469726292 527841041 /nfs/dbraw/zinc/84/10/41/527841041.db2.gz SIDOGLJWKNYNDJ-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469728770 528074752 /nfs/dbraw/zinc/07/47/52/528074752.db2.gz NBGBTWANRNFCRZ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469728771 528903843 /nfs/dbraw/zinc/90/38/43/528903843.db2.gz NBGBTWANRNFCRZ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469728772 528080750 /nfs/dbraw/zinc/08/07/50/528080750.db2.gz NBGBTWANRNFCRZ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469728773 528906245 /nfs/dbraw/zinc/90/62/45/528906245.db2.gz NBGBTWANRNFCRZ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469729763 528275355 /nfs/dbraw/zinc/27/53/55/528275355.db2.gz UZGIBLBENFFJGL-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469729764 528262787 /nfs/dbraw/zinc/26/27/87/528262787.db2.gz UZGIBLBENFFJGL-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000469729786 532949956 /nfs/dbraw/zinc/94/99/56/532949956.db2.gz VOCGOMAHUBJNBT-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000469729787 532949898 /nfs/dbraw/zinc/94/98/98/532949898.db2.gz VOCGOMAHUBJNBT-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CCc1cccc(C[N@@H+]2CCC[C@H]2CSC)c1 ZINC000469729840 529168491 /nfs/dbraw/zinc/16/84/91/529168491.db2.gz TVTXZYMCHLGLHC-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CSC)c1 ZINC000469729841 529168684 /nfs/dbraw/zinc/16/86/84/529168684.db2.gz TVTXZYMCHLGLHC-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469731604 528599764 /nfs/dbraw/zinc/59/97/64/528599764.db2.gz QGRTZYVWKACPNC-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(C)(C)OC ZINC000469731605 528598709 /nfs/dbraw/zinc/59/87/09/528598709.db2.gz QGRTZYVWKACPNC-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469736885 532950229 /nfs/dbraw/zinc/95/02/29/532950229.db2.gz YCWNMKZIRBJYEC-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000469736886 532950239 /nfs/dbraw/zinc/95/02/39/532950239.db2.gz YCWNMKZIRBJYEC-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1(c2ccccc2)CC1 ZINC000469772867 533826219 /nfs/dbraw/zinc/82/62/19/533826219.db2.gz RAWHYKHFGMESDP-CYBMUJFWSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1(c2ccccc2)CC1 ZINC000469772868 225047342 /nfs/dbraw/zinc/04/73/42/225047342.db2.gz RAWHYKHFGMESDP-ZDUSSCGKSA-N 1 0 229.367 3.844 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000469773377 532951426 /nfs/dbraw/zinc/95/14/26/532951426.db2.gz XVLWOFYGKRUXOY-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000469773378 532951657 /nfs/dbraw/zinc/95/16/57/532951657.db2.gz XVLWOFYGKRUXOY-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCc1ccccc1F ZINC000469773873 219955343 /nfs/dbraw/zinc/95/53/43/219955343.db2.gz BJDIPTNYJSXRLF-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCc1ccccc1F ZINC000469773874 219955338 /nfs/dbraw/zinc/95/53/38/219955338.db2.gz BJDIPTNYJSXRLF-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000469773881 533640774 /nfs/dbraw/zinc/64/07/74/533640774.db2.gz BMYIWIOBKORMEP-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000469773882 533640269 /nfs/dbraw/zinc/64/02/69/533640269.db2.gz BMYIWIOBKORMEP-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000469774734 225046822 /nfs/dbraw/zinc/04/68/22/225046822.db2.gz HKNZKXMTIUZVCB-GBJTYRQASA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)CC1 ZINC000469774735 225047509 /nfs/dbraw/zinc/04/75/09/225047509.db2.gz HKNZKXMTIUZVCB-LJISPDSOSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)CC1 ZINC000469774736 533109150 /nfs/dbraw/zinc/10/91/50/533109150.db2.gz HKNZKXMTIUZVCB-XGUBFFRZSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)CC1 ZINC000469774737 533110087 /nfs/dbraw/zinc/11/00/87/533110087.db2.gz HKNZKXMTIUZVCB-YJNKXOJESA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccc(OCC[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000469775036 225047368 /nfs/dbraw/zinc/04/73/68/225047368.db2.gz JWTCMRNFSCVWMX-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@H](C)CCC2CC2)cc1 ZINC000469775037 225046843 /nfs/dbraw/zinc/04/68/43/225046843.db2.gz JWTCMRNFSCVWMX-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C)CCC1CC1 ZINC000469776809 225047391 /nfs/dbraw/zinc/04/73/91/225047391.db2.gz SSPLWLPNTNAHQX-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C)CCC1CC1 ZINC000469776816 225047380 /nfs/dbraw/zinc/04/73/80/225047380.db2.gz SSPLWLPNTNAHQX-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1(c2ccccc2)CC1 ZINC000469777106 225046895 /nfs/dbraw/zinc/04/68/95/225046895.db2.gz VRFXMECFLLGWHO-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1(c2ccccc2)CC1 ZINC000469777107 533825455 /nfs/dbraw/zinc/82/54/55/533825455.db2.gz VRFXMECFLLGWHO-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO CCCC[C@H]([NH2+]CCC(C)(C)OC)C1CCC1 ZINC000469777761 528992106 /nfs/dbraw/zinc/99/21/06/528992106.db2.gz XPYJXECDTYGUIA-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]([NH2+]CCC(C)(C)OC)C1CCC1 ZINC000469777762 528855907 /nfs/dbraw/zinc/85/59/07/528855907.db2.gz XPYJXECDTYGUIA-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000469781126 533826257 /nfs/dbraw/zinc/82/62/57/533826257.db2.gz SLSSUOHLUSEGCL-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000469781127 225047336 /nfs/dbraw/zinc/04/73/36/225047336.db2.gz SLSSUOHLUSEGCL-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCOC1CCCCC1 ZINC000469781987 533825107 /nfs/dbraw/zinc/82/51/07/533825107.db2.gz XPMFDIBGOMWSAI-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCOC1CCCCC1 ZINC000469781988 225047201 /nfs/dbraw/zinc/04/72/01/225047201.db2.gz XPMFDIBGOMWSAI-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000469782593 225048954 /nfs/dbraw/zinc/04/89/54/225048954.db2.gz ZVEKEVWSIOTHTM-KBPBESRZSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000469782594 533825471 /nfs/dbraw/zinc/82/54/71/533825471.db2.gz ZVEKEVWSIOTHTM-KGLIPLIRSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CCC1CC1)Oc1ccccc1 ZINC000469782595 225048626 /nfs/dbraw/zinc/04/86/26/225048626.db2.gz ZVEKEVWSIOTHTM-UONOGXRCSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000469782596 533826007 /nfs/dbraw/zinc/82/60/07/533826007.db2.gz ZVEKEVWSIOTHTM-ZIAGYGMSSA-N 1 0 247.382 3.622 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H](C)CCC1CC1 ZINC000469784145 225047945 /nfs/dbraw/zinc/04/79/45/225047945.db2.gz VGWGBXKQKMLRAV-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H](C)CCC1CC1 ZINC000469784146 225047995 /nfs/dbraw/zinc/04/79/95/225047995.db2.gz VGWGBXKQKMLRAV-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000469784160 532951728 /nfs/dbraw/zinc/95/17/28/532951728.db2.gz VLCRIGAMCZWGLQ-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000469784161 532951643 /nfs/dbraw/zinc/95/16/43/532951643.db2.gz VLCRIGAMCZWGLQ-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000469784242 533805568 /nfs/dbraw/zinc/80/55/68/533805568.db2.gz WGZBNUBWENSVDS-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCC2CC2)cc1 ZINC000469784243 533806358 /nfs/dbraw/zinc/80/63/58/533806358.db2.gz WGZBNUBWENSVDS-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000469784355 532951001 /nfs/dbraw/zinc/95/10/01/532951001.db2.gz XHKNJYHUTBTXRQ-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000469784356 532951125 /nfs/dbraw/zinc/95/11/25/532951125.db2.gz XHKNJYHUTBTXRQ-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000469784573 532951677 /nfs/dbraw/zinc/95/16/77/532951677.db2.gz AGADPBCQQDCNCD-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1c(C)cccc1C ZINC000469784574 532950810 /nfs/dbraw/zinc/95/08/10/532950810.db2.gz AGADPBCQQDCNCD-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO COC(C)(C)CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000469785430 532951633 /nfs/dbraw/zinc/95/16/33/532951633.db2.gz BVHOZTIBOOSMOU-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCc1cccc(F)c1 ZINC000469785904 533824843 /nfs/dbraw/zinc/82/48/43/533824843.db2.gz KKKUNKALLNAJRX-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCc1cccc(F)c1 ZINC000469785906 225048418 /nfs/dbraw/zinc/04/84/18/225048418.db2.gz KKKUNKALLNAJRX-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C)CCC2CC2)c1 ZINC000469788288 225048090 /nfs/dbraw/zinc/04/80/90/225048090.db2.gz ALDVLYZUCROKMC-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C)CCC2CC2)c1 ZINC000469788289 534696131 /nfs/dbraw/zinc/69/61/31/534696131.db2.gz ALDVLYZUCROKMC-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO COc1cc(C[NH2+][C@H](C)CCC2CC2)ccc1C ZINC000469788971 533901639 /nfs/dbraw/zinc/90/16/39/533901639.db2.gz WRJBOQAJMAZTGT-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H](C)CCC2CC2)ccc1C ZINC000469788972 533889253 /nfs/dbraw/zinc/88/92/53/533889253.db2.gz WRJBOQAJMAZTGT-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000469789873 532951702 /nfs/dbraw/zinc/95/17/02/532951702.db2.gz GRETWFNIEIHTJK-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000469789874 532951447 /nfs/dbraw/zinc/95/14/47/532951447.db2.gz GRETWFNIEIHTJK-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000469789875 532950714 /nfs/dbraw/zinc/95/07/14/532950714.db2.gz GRETWFNIEIHTJK-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000469789876 532950995 /nfs/dbraw/zinc/95/09/95/532950995.db2.gz GRETWFNIEIHTJK-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000469790137 532951649 /nfs/dbraw/zinc/95/16/49/532951649.db2.gz IESJZBKZAPWPJI-KBPBESRZSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000469790139 532951381 /nfs/dbraw/zinc/95/13/81/532951381.db2.gz IESJZBKZAPWPJI-KGLIPLIRSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000469790141 532951811 /nfs/dbraw/zinc/95/18/11/532951811.db2.gz IESJZBKZAPWPJI-UONOGXRCSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000469790142 532951745 /nfs/dbraw/zinc/95/17/45/532951745.db2.gz IESJZBKZAPWPJI-ZIAGYGMSSA-N 1 0 249.398 3.583 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCc1ccc(F)cc1 ZINC000469792141 533824781 /nfs/dbraw/zinc/82/47/81/533824781.db2.gz STHAICJUZFUQIA-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCc1ccc(F)cc1 ZINC000469792142 225048015 /nfs/dbraw/zinc/04/80/15/225048015.db2.gz STHAICJUZFUQIA-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1cccc(OCC[NH2+][C@@H](C)CCC2CC2)c1 ZINC000469795353 225048369 /nfs/dbraw/zinc/04/83/69/225048369.db2.gz CBCHNAHYVFWMHL-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCC[NH2+][C@H](C)CCC2CC2)c1 ZINC000469795354 225048943 /nfs/dbraw/zinc/04/89/43/225048943.db2.gz CBCHNAHYVFWMHL-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000469795711 225048676 /nfs/dbraw/zinc/04/86/76/225048676.db2.gz AJYHONXMTQMORO-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000469795712 533826445 /nfs/dbraw/zinc/82/64/45/533826445.db2.gz AJYHONXMTQMORO-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000469795713 533825830 /nfs/dbraw/zinc/82/58/30/533825830.db2.gz AJYHONXMTQMORO-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000469795714 225048815 /nfs/dbraw/zinc/04/88/15/225048815.db2.gz AJYHONXMTQMORO-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO COC(C)(C)CC[NH+]1CCC(C)(C(C)C)CC1 ZINC000469796696 532949986 /nfs/dbraw/zinc/94/99/86/532949986.db2.gz MTOPRXVONZRZMG-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000469797614 533826350 /nfs/dbraw/zinc/82/63/50/533826350.db2.gz BSIOREGEKJDRMV-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000469797615 225048851 /nfs/dbraw/zinc/04/88/51/225048851.db2.gz BSIOREGEKJDRMV-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000469797916 225048829 /nfs/dbraw/zinc/04/88/29/225048829.db2.gz DQAJCSOYBZEGHZ-COXVUDFISA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000469797917 225048405 /nfs/dbraw/zinc/04/84/05/225048405.db2.gz DQAJCSOYBZEGHZ-KBRIMQKVSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000469797918 225048141 /nfs/dbraw/zinc/04/81/41/225048141.db2.gz DQAJCSOYBZEGHZ-XOKHGSTOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000469797919 225048029 /nfs/dbraw/zinc/04/80/29/225048029.db2.gz DQAJCSOYBZEGHZ-XYPHTWIQSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCc1cccc(F)c1 ZINC000469798111 533825429 /nfs/dbraw/zinc/82/54/29/533825429.db2.gz QZMQQDIUQVDQPI-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCc1cccc(F)c1 ZINC000469798112 225048548 /nfs/dbraw/zinc/04/85/48/225048548.db2.gz QZMQQDIUQVDQPI-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO CCC1(CC)CC[NH+](CCC(C)(C)OC)CC1 ZINC000469798924 529056627 /nfs/dbraw/zinc/05/66/27/529056627.db2.gz UYUBOGRJRMWKRU-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000469800883 533824822 /nfs/dbraw/zinc/82/48/22/533824822.db2.gz NCBVHGHLEWTCDL-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000469800884 225048067 /nfs/dbraw/zinc/04/80/67/225048067.db2.gz NCBVHGHLEWTCDL-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H](CCC1CC1)Nc1ccc(C[NH+](C)C)cc1 ZINC000469803182 225048155 /nfs/dbraw/zinc/04/81/55/225048155.db2.gz ZTPJORMDFXWIEE-CYBMUJFWSA-N 1 0 246.398 3.739 20 0 BHADRO C[C@@H](CCC1CC1)Nc1ccc(C[NH+](C)C)cc1 ZINC000469803183 225048344 /nfs/dbraw/zinc/04/83/44/225048344.db2.gz ZTPJORMDFXWIEE-ZDUSSCGKSA-N 1 0 246.398 3.739 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C)CCC1CC1 ZINC000469803697 225049463 /nfs/dbraw/zinc/04/94/63/225049463.db2.gz DKIRGHICCFSEBK-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C)CCC1CC1 ZINC000469803698 533670109 /nfs/dbraw/zinc/67/01/09/533670109.db2.gz DKIRGHICCFSEBK-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000469806582 529622636 /nfs/dbraw/zinc/62/26/36/529622636.db2.gz FGDWMIURKLTNIC-CHWSQXEVSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000469806583 529623715 /nfs/dbraw/zinc/62/37/15/529623715.db2.gz FGDWMIURKLTNIC-OLZOCXBDSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000469806584 529622726 /nfs/dbraw/zinc/62/27/26/529622726.db2.gz FGDWMIURKLTNIC-QWHCGFSZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000469806585 529623375 /nfs/dbraw/zinc/62/33/75/529623375.db2.gz FGDWMIURKLTNIC-STQMWFEESA-N 1 0 246.398 3.873 20 0 BHADRO c1ccc(CC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000469835292 225049520 /nfs/dbraw/zinc/04/95/20/225049520.db2.gz DMSLONHYLKXEGD-KRWDZBQOSA-N 1 0 237.346 3.676 20 0 BHADRO c1ccc(CC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000469835293 534488228 /nfs/dbraw/zinc/48/82/28/534488228.db2.gz DMSLONHYLKXEGD-QGZVFWFLSA-N 1 0 237.346 3.676 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1ccccc1F ZINC000469840097 533827632 /nfs/dbraw/zinc/82/76/32/533827632.db2.gz GFBAZGXPPLNISH-BETUJISGSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1ccccc1F ZINC000469840098 533738875 /nfs/dbraw/zinc/73/88/75/533738875.db2.gz GFBAZGXPPLNISH-CHWSQXEVSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCc1ccccc1F ZINC000469840099 225049366 /nfs/dbraw/zinc/04/93/66/225049366.db2.gz GFBAZGXPPLNISH-STQMWFEESA-N 1 0 235.346 3.631 20 0 BHADRO FCCC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000469844605 534429290 /nfs/dbraw/zinc/42/92/90/534429290.db2.gz ZQQNPVAYIUUGMO-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO CC(C)C[N@H+](CCCC1CCOCC1)C(C)C ZINC000469895888 527939429 /nfs/dbraw/zinc/93/94/29/527939429.db2.gz DVQIFPHJQZOZHV-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CCCC1CCOCC1)CC(C)C ZINC000469909974 528063926 /nfs/dbraw/zinc/06/39/26/528063926.db2.gz ULPPOSFBUCRQQM-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)[C@H]1CCCC[C@@H]1C ZINC000469981535 528405391 /nfs/dbraw/zinc/40/53/91/528405391.db2.gz KDZCHSMFNSZNMZ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)[C@H]1CCCC[C@H]1C ZINC000469981536 528406052 /nfs/dbraw/zinc/40/60/52/528406052.db2.gz KDZCHSMFNSZNMZ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)[C@@H]1CCCC[C@@H]1C ZINC000469981537 528406637 /nfs/dbraw/zinc/40/66/37/528406637.db2.gz KDZCHSMFNSZNMZ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)[C@@H]1CCCC[C@H]1C ZINC000469981538 528406428 /nfs/dbraw/zinc/40/64/28/528406428.db2.gz KDZCHSMFNSZNMZ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)OC ZINC000469985947 529205869 /nfs/dbraw/zinc/20/58/69/529205869.db2.gz ZFKLSYGSKAWIFQ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)OC ZINC000469985948 529280129 /nfs/dbraw/zinc/28/01/29/529280129.db2.gz ZFKLSYGSKAWIFQ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)OC ZINC000469985949 529209920 /nfs/dbraw/zinc/20/99/20/529209920.db2.gz ZFKLSYGSKAWIFQ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)OC ZINC000469985950 529288659 /nfs/dbraw/zinc/28/86/59/529288659.db2.gz ZFKLSYGSKAWIFQ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000469992759 527852771 /nfs/dbraw/zinc/85/27/71/527852771.db2.gz QOILUPITCIPHLB-GHMZBOCLSA-N 1 0 247.304 3.758 20 0 BHADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000469992760 527823236 /nfs/dbraw/zinc/82/32/36/527823236.db2.gz QOILUPITCIPHLB-MNOVXSKESA-N 1 0 247.304 3.758 20 0 BHADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000469992761 527822573 /nfs/dbraw/zinc/82/25/73/527822573.db2.gz QOILUPITCIPHLB-QWRGUYRKSA-N 1 0 247.304 3.758 20 0 BHADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000469992762 527853084 /nfs/dbraw/zinc/85/30/84/527853084.db2.gz QOILUPITCIPHLB-WDEREUQCSA-N 1 0 247.304 3.758 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469993194 528186828 /nfs/dbraw/zinc/18/68/28/528186828.db2.gz SLASSJYUNGNTPU-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469993195 528185687 /nfs/dbraw/zinc/18/56/87/528185687.db2.gz SLASSJYUNGNTPU-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC1CCCC1 ZINC000469994397 527852090 /nfs/dbraw/zinc/85/20/90/527852090.db2.gz WPZQBNROKHAANF-LLVKDONJSA-N 1 0 249.320 3.839 20 0 BHADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC1CCCC1 ZINC000469994407 527822222 /nfs/dbraw/zinc/82/22/22/527822222.db2.gz WPZQBNROKHAANF-NSHDSACASA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469994424 527726878 /nfs/dbraw/zinc/72/68/78/527726878.db2.gz XMKMWZBUYLXAQS-JTQLQIEISA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469994425 527727055 /nfs/dbraw/zinc/72/70/55/527727055.db2.gz XMKMWZBUYLXAQS-SNVBAGLBSA-N 1 0 237.309 3.695 20 0 BHADRO C(C[NH2+]C1CCCCCC1)CC1CCOCC1 ZINC000470105392 527483933 /nfs/dbraw/zinc/48/39/33/527483933.db2.gz OSRJAPVXRPFQON-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1cc(CC[NH2+]CCC(C)(C)C)cc(C)c1O ZINC000470146611 225054141 /nfs/dbraw/zinc/05/41/41/225054141.db2.gz KFGBAFMJFWBWAZ-UHFFFAOYSA-N 1 0 249.398 3.577 20 0 BHADRO Cc1cc(CC[NH2+][C@@H](C)CC(C)C)cc(C)c1O ZINC000470148806 225053898 /nfs/dbraw/zinc/05/38/98/225053898.db2.gz XAPONSSROZBWQU-AWEZNQCLSA-N 1 0 249.398 3.576 20 0 BHADRO Cc1cc(CC[NH2+][C@H](C)CC(C)C)cc(C)c1O ZINC000470148807 225054289 /nfs/dbraw/zinc/05/42/89/225054289.db2.gz XAPONSSROZBWQU-CQSZACIVSA-N 1 0 249.398 3.576 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000470153272 528893703 /nfs/dbraw/zinc/89/37/03/528893703.db2.gz XUKMGSDLNWCEQU-AWEZNQCLSA-N 1 0 249.398 3.720 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000470153273 528763334 /nfs/dbraw/zinc/76/33/34/528763334.db2.gz XUKMGSDLNWCEQU-CQSZACIVSA-N 1 0 249.398 3.720 20 0 BHADRO Cc1ccc(NC2CC(C)(C)C2)c(C[NH+](C)C)c1 ZINC000470243942 225055236 /nfs/dbraw/zinc/05/52/36/225055236.db2.gz RSZHLDHASGQOHZ-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1NC1CC(C)(C)C1 ZINC000470246246 533871144 /nfs/dbraw/zinc/87/11/44/533871144.db2.gz OTNMHBJWWYGHBC-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)c1ccc(CC[NH2+]CC2(C)CC2)cc1 ZINC000470257928 528086915 /nfs/dbraw/zinc/08/69/15/528086915.db2.gz NYXSKHHBSFVAFJ-UHFFFAOYSA-N 1 0 231.383 3.742 20 0 BHADRO CCO[C@H](C[NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000470362589 528057064 /nfs/dbraw/zinc/05/70/64/528057064.db2.gz FOQLKFYWLUYXFC-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000470362590 528056879 /nfs/dbraw/zinc/05/68/79/528056879.db2.gz FOQLKFYWLUYXFC-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000470362591 527735875 /nfs/dbraw/zinc/73/58/75/527735875.db2.gz FOQLKFYWLUYXFC-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000470362592 527736562 /nfs/dbraw/zinc/73/65/62/527736562.db2.gz FOQLKFYWLUYXFC-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1ccccc1CSCCC[NH+]1CCCC1 ZINC000470446051 225056827 /nfs/dbraw/zinc/05/68/27/225056827.db2.gz NSCOVSZYUVMVHS-UHFFFAOYSA-N 1 0 249.423 3.714 20 0 BHADRO CC[NH+](CC)CCCSc1ccccc1F ZINC000470456652 528113506 /nfs/dbraw/zinc/11/35/06/528113506.db2.gz RFHXKGXATFRLMS-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO Cc1ccc(SCCC[NH+]2CCCC2)cc1 ZINC000470458635 225056831 /nfs/dbraw/zinc/05/68/31/225056831.db2.gz KOZDLBFZKOPAKR-UHFFFAOYSA-N 1 0 235.396 3.573 20 0 BHADRO CC[NH+](CC)CCCSc1ccc(F)cc1 ZINC000470459131 528114583 /nfs/dbraw/zinc/11/45/83/528114583.db2.gz NAALNSLKAVVKRZ-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(C(F)F)c1 ZINC000470717938 528003465 /nfs/dbraw/zinc/00/34/65/528003465.db2.gz NTSBNCDTDYVXKG-UHFFFAOYSA-N 1 0 227.298 3.856 20 0 BHADRO C[N@H+](Cc1cccc(C(F)F)c1)C1CCCC1 ZINC000470718835 529993610 /nfs/dbraw/zinc/99/36/10/529993610.db2.gz YESMTQKEPHYCDD-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO CCCC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000470727008 528359502 /nfs/dbraw/zinc/35/95/02/528359502.db2.gz QEDKDGMZBNHOAP-UHFFFAOYSA-N 1 0 227.298 3.856 20 0 BHADRO C[C@@H]1C[NH+](Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000470758204 225059722 /nfs/dbraw/zinc/05/97/22/225059722.db2.gz WTLCDOOGHKPMOX-GHMZBOCLSA-N 1 0 239.309 3.712 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000470758205 225059834 /nfs/dbraw/zinc/05/98/34/225059834.db2.gz WTLCDOOGHKPMOX-PHIMTYICSA-N 1 0 239.309 3.712 20 0 BHADRO C[C@H]1C[NH+](Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000470758206 225060456 /nfs/dbraw/zinc/06/04/56/225060456.db2.gz WTLCDOOGHKPMOX-QWRGUYRKSA-N 1 0 239.309 3.712 20 0 BHADRO CCC[N@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000470758212 528141174 /nfs/dbraw/zinc/14/11/74/528141174.db2.gz WWAHUHJIFJACIU-UHFFFAOYSA-N 1 0 239.309 3.999 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000470759193 529302132 /nfs/dbraw/zinc/30/21/32/529302132.db2.gz CGOOQDPKVFLMKB-CYBMUJFWSA-N 1 0 239.309 3.999 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000470759194 529220210 /nfs/dbraw/zinc/22/02/10/529220210.db2.gz CGOOQDPKVFLMKB-ZDUSSCGKSA-N 1 0 239.309 3.999 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470762819 529327319 /nfs/dbraw/zinc/32/73/19/529327319.db2.gz YYNLCVNFTOFWAC-LLVKDONJSA-N 1 0 239.309 3.856 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470762820 529238944 /nfs/dbraw/zinc/23/89/44/529238944.db2.gz YYNLCVNFTOFWAC-NSHDSACASA-N 1 0 239.309 3.856 20 0 BHADRO CC[N@@H+](Cc1cccc(C(F)F)c1)CC1CC1 ZINC000470766038 528803372 /nfs/dbraw/zinc/80/33/72/528803372.db2.gz OAZXECROJXOICM-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470769616 225059804 /nfs/dbraw/zinc/05/98/04/225059804.db2.gz QAKOORBDTPMMOA-GHMZBOCLSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470769617 225060308 /nfs/dbraw/zinc/06/03/08/225060308.db2.gz QAKOORBDTPMMOA-MNOVXSKESA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470769618 225060415 /nfs/dbraw/zinc/06/04/15/225060415.db2.gz QAKOORBDTPMMOA-QWRGUYRKSA-N 1 0 239.309 3.855 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(C(F)F)c1 ZINC000470769619 533805167 /nfs/dbraw/zinc/80/51/67/533805167.db2.gz QAKOORBDTPMMOA-WDEREUQCSA-N 1 0 239.309 3.855 20 0 BHADRO CC1(C)CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470774931 529009913 /nfs/dbraw/zinc/00/99/13/529009913.db2.gz VJLIIDVLMLMFSU-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCCC2(CCC2)C1 ZINC000470872723 527466914 /nfs/dbraw/zinc/46/69/14/527466914.db2.gz KPCQDFGGHJIZJW-RUDMXATFSA-N 1 0 241.378 3.966 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCCC2(CCC2)C1 ZINC000470872739 527471037 /nfs/dbraw/zinc/47/10/37/527471037.db2.gz KPCQDFGGHJIZJW-WTKPLQERSA-N 1 0 241.378 3.966 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000470905487 529182554 /nfs/dbraw/zinc/18/25/54/529182554.db2.gz GNKUNTIHLPRHQW-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000470905488 529256987 /nfs/dbraw/zinc/25/69/87/529256987.db2.gz GNKUNTIHLPRHQW-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000470905489 529182388 /nfs/dbraw/zinc/18/23/88/529182388.db2.gz GNKUNTIHLPRHQW-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000470905490 529257248 /nfs/dbraw/zinc/25/72/48/529257248.db2.gz GNKUNTIHLPRHQW-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000470908865 533371790 /nfs/dbraw/zinc/37/17/90/533371790.db2.gz KFFQZROCHBRCAU-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000470908866 533370721 /nfs/dbraw/zinc/37/07/21/533370721.db2.gz KFFQZROCHBRCAU-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000470908867 533025646 /nfs/dbraw/zinc/02/56/46/533025646.db2.gz KFFQZROCHBRCAU-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000470908868 533025158 /nfs/dbraw/zinc/02/51/58/533025158.db2.gz KFFQZROCHBRCAU-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000470912207 533371582 /nfs/dbraw/zinc/37/15/82/533371582.db2.gz DCYCHBGIYHSMNM-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000470912208 533371054 /nfs/dbraw/zinc/37/10/54/533371054.db2.gz DCYCHBGIYHSMNM-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000470912209 533026901 /nfs/dbraw/zinc/02/69/01/533026901.db2.gz DCYCHBGIYHSMNM-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000470912210 533026074 /nfs/dbraw/zinc/02/60/74/533026074.db2.gz DCYCHBGIYHSMNM-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470939751 528789291 /nfs/dbraw/zinc/78/92/91/528789291.db2.gz HXMXRHVDGAFOCS-KWKBKKAHSA-N 1 0 235.293 3.615 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470939752 528772463 /nfs/dbraw/zinc/77/24/63/528772463.db2.gz HXMXRHVDGAFOCS-NNOMMRTBSA-N 1 0 235.293 3.615 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470939753 528789059 /nfs/dbraw/zinc/78/90/59/528789059.db2.gz HXMXRHVDGAFOCS-XXJOZFEBSA-N 1 0 235.293 3.615 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470939754 528772792 /nfs/dbraw/zinc/77/27/92/528772792.db2.gz HXMXRHVDGAFOCS-ZJRFNNFUSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470942394 527703437 /nfs/dbraw/zinc/70/34/37/527703437.db2.gz AFXJILPGQYWJJR-GHMZBOCLSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470942395 527703515 /nfs/dbraw/zinc/70/35/15/527703515.db2.gz AFXJILPGQYWJJR-MNOVXSKESA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470942396 527703529 /nfs/dbraw/zinc/70/35/29/527703529.db2.gz AFXJILPGQYWJJR-QWRGUYRKSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470942397 527703508 /nfs/dbraw/zinc/70/35/08/527703508.db2.gz AFXJILPGQYWJJR-WDEREUQCSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1CCCCC1 ZINC000470943044 225061640 /nfs/dbraw/zinc/06/16/40/225061640.db2.gz CAWIPNUONDZGBB-CMPLNLGQSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1CCCCC1 ZINC000470943045 225060852 /nfs/dbraw/zinc/06/08/52/225060852.db2.gz CAWIPNUONDZGBB-JQWIXIFHSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1CCCCC1 ZINC000470943046 534228071 /nfs/dbraw/zinc/22/80/71/534228071.db2.gz CAWIPNUONDZGBB-PWSUYJOCSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1CCCCC1 ZINC000470943047 225061552 /nfs/dbraw/zinc/06/15/52/225061552.db2.gz CAWIPNUONDZGBB-ZYHUDNBSSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC1CCCC1 ZINC000470954957 225061962 /nfs/dbraw/zinc/06/19/62/225061962.db2.gz FHUZLLLDNYEPKM-CMPLNLGQSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC1CCCC1 ZINC000470954958 225061398 /nfs/dbraw/zinc/06/13/98/225061398.db2.gz FHUZLLLDNYEPKM-JQWIXIFHSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC1CCCC1 ZINC000470954959 534228797 /nfs/dbraw/zinc/22/87/97/534228797.db2.gz FHUZLLLDNYEPKM-PWSUYJOCSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC1CCCC1 ZINC000470954960 225060988 /nfs/dbraw/zinc/06/09/88/225060988.db2.gz FHUZLLLDNYEPKM-ZYHUDNBSSA-N 1 0 249.320 3.839 20 0 BHADRO COc1cccc([C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000470958855 225060840 /nfs/dbraw/zinc/06/08/40/225060840.db2.gz LQRZQSBSRSAMGN-HZSPNIEDSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000470958857 225061693 /nfs/dbraw/zinc/06/16/93/225061693.db2.gz LQRZQSBSRSAMGN-IHRRRGAJSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000470958859 225061523 /nfs/dbraw/zinc/06/15/23/225061523.db2.gz LQRZQSBSRSAMGN-MCIONIFRSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000470958860 225061695 /nfs/dbraw/zinc/06/16/95/225061695.db2.gz LQRZQSBSRSAMGN-MJBXVCDLSA-N 1 0 247.382 3.734 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000470993528 225063226 /nfs/dbraw/zinc/06/32/26/225063226.db2.gz CSCIPXQZQUUCOG-HNNXBMFYSA-N 1 0 229.367 3.503 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000470993529 225063116 /nfs/dbraw/zinc/06/31/16/225063116.db2.gz CSCIPXQZQUUCOG-OAHLLOKOSA-N 1 0 229.367 3.503 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000470996008 225063623 /nfs/dbraw/zinc/06/36/23/225063623.db2.gz JVAXRIQCCDWPSP-AWEZNQCLSA-N 1 0 217.356 3.501 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000470996009 225063305 /nfs/dbraw/zinc/06/33/05/225063305.db2.gz JVAXRIQCCDWPSP-CQSZACIVSA-N 1 0 217.356 3.501 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471001452 528261868 /nfs/dbraw/zinc/26/18/68/528261868.db2.gz PIQNYHVNZCABOZ-AWEZNQCLSA-N 1 0 217.356 3.503 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471001453 528253860 /nfs/dbraw/zinc/25/38/60/528253860.db2.gz PIQNYHVNZCABOZ-CQSZACIVSA-N 1 0 217.356 3.503 20 0 BHADRO CCC(C)(C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000471002430 528538575 /nfs/dbraw/zinc/53/85/75/528538575.db2.gz ZEQAEHZCUYUPFW-UHFFFAOYSA-N 1 0 241.325 3.628 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000471011318 528540111 /nfs/dbraw/zinc/54/01/11/528540111.db2.gz ZEUAUQPXMPJLAS-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@H]1C=CCCC1 ZINC000471018411 533040325 /nfs/dbraw/zinc/04/03/25/533040325.db2.gz KGIMCKJLBXENEY-AWEZNQCLSA-N 1 0 247.407 3.949 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC000471018412 533039379 /nfs/dbraw/zinc/03/93/79/533039379.db2.gz KGIMCKJLBXENEY-CQSZACIVSA-N 1 0 247.407 3.949 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCCOC(C)(C)C ZINC000471026009 528538145 /nfs/dbraw/zinc/53/81/45/528538145.db2.gz SASJJAMKGDYSTF-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000471026751 527727199 /nfs/dbraw/zinc/72/71/99/527727199.db2.gz ACEZMDZOJSWGCB-DZGCQCFKSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000471026752 527726702 /nfs/dbraw/zinc/72/67/02/527726702.db2.gz ACEZMDZOJSWGCB-HIFRSBDPSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000471026753 527727727 /nfs/dbraw/zinc/72/77/27/527727727.db2.gz ACEZMDZOJSWGCB-UKRRQHHQSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000471026754 527728803 /nfs/dbraw/zinc/72/88/03/527728803.db2.gz ACEZMDZOJSWGCB-ZFWWWQNUSA-N 1 0 217.356 3.726 20 0 BHADRO Clc1ccc(CCC[N@@H+]2CCC23CCC3)cc1 ZINC000471037700 534639018 /nfs/dbraw/zinc/63/90/18/534639018.db2.gz LQRSGVANVIRDQK-UHFFFAOYSA-N 1 0 249.785 3.901 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCCC(F)(F)F ZINC000471067174 528538185 /nfs/dbraw/zinc/53/81/85/528538185.db2.gz VOMSFCSAGZQTLT-UHFFFAOYSA-N 1 0 225.298 3.839 20 0 BHADRO Fc1cccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000471171178 534518456 /nfs/dbraw/zinc/51/84/56/534518456.db2.gz UYCXSGOIELPNET-INIZCTEOSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000471171179 534518102 /nfs/dbraw/zinc/51/81/02/534518102.db2.gz UYCXSGOIELPNET-MRXNPFEDSA-N 1 0 241.309 3.773 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471174065 225065208 /nfs/dbraw/zinc/06/52/08/225065208.db2.gz WVYZWYFUXLWAPP-KRWDZBQOSA-N 1 0 237.346 3.942 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471174066 225064580 /nfs/dbraw/zinc/06/45/80/225064580.db2.gz WVYZWYFUXLWAPP-QGZVFWFLSA-N 1 0 237.346 3.942 20 0 BHADRO Fc1ccccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471179501 225065527 /nfs/dbraw/zinc/06/55/27/225065527.db2.gz UKSLAGFMROTZDL-INIZCTEOSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1ccccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471179503 225064788 /nfs/dbraw/zinc/06/47/88/225064788.db2.gz UKSLAGFMROTZDL-MRXNPFEDSA-N 1 0 241.309 3.773 20 0 BHADRO CC[N@H+](CCC(C)C)[C@H](C)c1cccc(O)c1 ZINC000471187354 528406702 /nfs/dbraw/zinc/40/67/02/528406702.db2.gz PSGAFATVTCEROM-CYBMUJFWSA-N 1 0 235.371 3.821 20 0 BHADRO CC[N@H+](CCC(C)C)[C@@H](C)c1cccc(O)c1 ZINC000471187355 528405941 /nfs/dbraw/zinc/40/59/41/528405941.db2.gz PSGAFATVTCEROM-ZDUSSCGKSA-N 1 0 235.371 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000471188127 533955877 /nfs/dbraw/zinc/95/58/77/533955877.db2.gz USUMUNFSVINPFM-KRWDZBQOSA-N 1 0 237.346 3.942 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000471188128 533949578 /nfs/dbraw/zinc/94/95/78/533949578.db2.gz USUMUNFSVINPFM-QGZVFWFLSA-N 1 0 237.346 3.942 20 0 BHADRO Cc1nc(C)c(C)c(Nc2ccc(C)c(C)c2)n1 ZINC000471248420 225064496 /nfs/dbraw/zinc/06/44/96/225064496.db2.gz DUAVPMZNDOQAAP-UHFFFAOYSA-N 1 0 241.338 3.762 20 0 BHADRO Cc1cc(C)cc(Nc2nc(C)nc(C)c2C)c1 ZINC000471250843 225065316 /nfs/dbraw/zinc/06/53/16/225065316.db2.gz MIYGDRBBOIUDIP-UHFFFAOYSA-N 1 0 241.338 3.762 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000471544612 528964477 /nfs/dbraw/zinc/96/44/77/528964477.db2.gz AQTQGJKEBCNPHO-AWEZNQCLSA-N 1 0 249.398 3.587 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000471544613 528966116 /nfs/dbraw/zinc/96/61/16/528966116.db2.gz AQTQGJKEBCNPHO-CQSZACIVSA-N 1 0 249.398 3.587 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccccc1C ZINC000471558371 528964601 /nfs/dbraw/zinc/96/46/01/528964601.db2.gz FOXZCWZROUBIMD-AWEZNQCLSA-N 1 0 249.398 3.587 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccccc1C ZINC000471558372 528966240 /nfs/dbraw/zinc/96/62/40/528966240.db2.gz FOXZCWZROUBIMD-CQSZACIVSA-N 1 0 249.398 3.587 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(OC(C)C)C1 ZINC000471579834 529207161 /nfs/dbraw/zinc/20/71/61/529207161.db2.gz CLVBNRSMIMPQJT-PPWQZUPISA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(OC(C)C)C1 ZINC000471579835 529282433 /nfs/dbraw/zinc/28/24/33/529282433.db2.gz CLVBNRSMIMPQJT-URGYJCLVSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(OC(C)C)C1 ZINC000471579836 529211098 /nfs/dbraw/zinc/21/10/98/529211098.db2.gz CLVBNRSMIMPQJT-VXGQWTEUSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(OC(C)C)C1 ZINC000471579837 529289860 /nfs/dbraw/zinc/28/98/60/529289860.db2.gz CLVBNRSMIMPQJT-XSCHDIRWSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000471581187 527425322 /nfs/dbraw/zinc/42/53/22/527425322.db2.gz HLPVLNKWWVMWPL-NFOMZHRRSA-N 1 0 239.403 3.667 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000471581188 527416142 /nfs/dbraw/zinc/41/61/42/527416142.db2.gz HLPVLNKWWVMWPL-WLYUNCDWSA-N 1 0 239.403 3.667 20 0 BHADRO CC(C)OC1CC([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000471589666 527881761 /nfs/dbraw/zinc/88/17/61/527881761.db2.gz RRQJPUZTXKQEJQ-GRTSSRMGSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@H](C)C2CCCCC2)C1 ZINC000471589667 527882733 /nfs/dbraw/zinc/88/27/33/527882733.db2.gz RRQJPUZTXKQEJQ-LRVUVFPRSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000471590814 527883503 /nfs/dbraw/zinc/88/35/03/527883503.db2.gz YWYMXUXBAVMTAA-HSBZDZAISA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000471590815 527881860 /nfs/dbraw/zinc/88/18/60/527881860.db2.gz YWYMXUXBAVMTAA-IYXRBSQSSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000471598840 527882245 /nfs/dbraw/zinc/88/22/45/527882245.db2.gz MHEBZPRJJQAVMB-JXQTWKCFSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CC([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000471598841 527883590 /nfs/dbraw/zinc/88/35/90/527883590.db2.gz MHEBZPRJJQAVMB-RUXDESIVSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000471599409 529315421 /nfs/dbraw/zinc/31/54/21/529315421.db2.gz RTFUTOPXGAJKRK-DNDYEEKYSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000471599410 529231089 /nfs/dbraw/zinc/23/10/89/529231089.db2.gz RTFUTOPXGAJKRK-HESLUPGFSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000471599411 529304966 /nfs/dbraw/zinc/30/49/66/529304966.db2.gz RTFUTOPXGAJKRK-LMRVLLHPSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000471599412 529223571 /nfs/dbraw/zinc/22/35/71/529223571.db2.gz RTFUTOPXGAJKRK-ZUJMUWTESA-N 1 0 239.403 3.501 20 0 BHADRO Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000471600620 225066105 /nfs/dbraw/zinc/06/61/05/225066105.db2.gz DKBLZFTYLHVGRF-CHWSQXEVSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000471600622 225065966 /nfs/dbraw/zinc/06/59/66/225065966.db2.gz DKBLZFTYLHVGRF-OLZOCXBDSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000471600623 225065833 /nfs/dbraw/zinc/06/58/33/225065833.db2.gz DKBLZFTYLHVGRF-QWHCGFSZSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000471600624 225066453 /nfs/dbraw/zinc/06/64/53/225066453.db2.gz DKBLZFTYLHVGRF-STQMWFEESA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000471601541 225066594 /nfs/dbraw/zinc/06/65/94/225066594.db2.gz JWIYPAQCIHURGZ-MOKVOYLWSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000471601542 225066038 /nfs/dbraw/zinc/06/60/38/225066038.db2.gz JWIYPAQCIHURGZ-ROKHWSDSSA-N 1 0 249.423 3.864 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000471754326 528964227 /nfs/dbraw/zinc/96/42/27/528964227.db2.gz CTNOJCNWGCKVLJ-AWEZNQCLSA-N 1 0 241.419 3.652 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)CCC=C(C)C ZINC000471754327 528966084 /nfs/dbraw/zinc/96/60/84/528966084.db2.gz CTNOJCNWGCKVLJ-CQSZACIVSA-N 1 0 241.419 3.652 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC000471763410 529017335 /nfs/dbraw/zinc/01/73/35/529017335.db2.gz UGSJHEGZPMTXMM-FUUBYGMNSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC000471763411 529017869 /nfs/dbraw/zinc/01/78/69/529017869.db2.gz UGSJHEGZPMTXMM-GQKFXUNGSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC000471763412 529017750 /nfs/dbraw/zinc/01/77/50/529017750.db2.gz UGSJHEGZPMTXMM-PIOWNMBXSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C)CCC([NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC000471763413 529017062 /nfs/dbraw/zinc/01/70/62/529017062.db2.gz UGSJHEGZPMTXMM-RAFNIBEQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000471782197 225078221 /nfs/dbraw/zinc/07/82/21/225078221.db2.gz ROINPNKNAOQAPV-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CCCCCC2)C1 ZINC000471782198 533430759 /nfs/dbraw/zinc/43/07/59/533430759.db2.gz ROINPNKNAOQAPV-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000471782199 533431454 /nfs/dbraw/zinc/43/14/54/533431454.db2.gz ROINPNKNAOQAPV-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C2CCCCCC2)C1 ZINC000471782200 225079903 /nfs/dbraw/zinc/07/99/03/225079903.db2.gz ROINPNKNAOQAPV-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000471782842 528964774 /nfs/dbraw/zinc/96/47/74/528964774.db2.gz UVTYNXPGEMAIRQ-AWEZNQCLSA-N 1 0 249.398 3.587 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000471782843 528965765 /nfs/dbraw/zinc/96/57/65/528965765.db2.gz UVTYNXPGEMAIRQ-CQSZACIVSA-N 1 0 249.398 3.587 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC000471792883 225079875 /nfs/dbraw/zinc/07/98/75/225079875.db2.gz LFQXIWADOQHFIG-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC000471792884 533431129 /nfs/dbraw/zinc/43/11/29/533431129.db2.gz LFQXIWADOQHFIG-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC000471792886 533431272 /nfs/dbraw/zinc/43/12/72/533431272.db2.gz LFQXIWADOQHFIG-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC000471792887 225080569 /nfs/dbraw/zinc/08/05/69/225080569.db2.gz LFQXIWADOQHFIG-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796076 528075426 /nfs/dbraw/zinc/07/54/26/528075426.db2.gz BCXJWPXOYIDUQP-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796077 528905328 /nfs/dbraw/zinc/90/53/28/528905328.db2.gz BCXJWPXOYIDUQP-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796078 528069753 /nfs/dbraw/zinc/06/97/53/528069753.db2.gz BCXJWPXOYIDUQP-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796079 528901297 /nfs/dbraw/zinc/90/12/97/528901297.db2.gz BCXJWPXOYIDUQP-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796891 529683667 /nfs/dbraw/zinc/68/36/67/529683667.db2.gz FPIZWLKQXWQVNY-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796892 529337363 /nfs/dbraw/zinc/33/73/63/529337363.db2.gz FPIZWLKQXWQVNY-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC(O)(CC)CC ZINC000471796893 529418043 /nfs/dbraw/zinc/41/80/43/529418043.db2.gz FPIZWLKQXWQVNY-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC(O)(CC)CC ZINC000471796894 529335271 /nfs/dbraw/zinc/33/52/71/529335271.db2.gz FPIZWLKQXWQVNY-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000471798557 528869463 /nfs/dbraw/zinc/86/94/63/528869463.db2.gz KVUOLZDLXLIAII-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000471798558 528869587 /nfs/dbraw/zinc/86/95/87/528869587.db2.gz KVUOLZDLXLIAII-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](OC)C1 ZINC000471798559 528869803 /nfs/dbraw/zinc/86/98/03/528869803.db2.gz KVUOLZDLXLIAII-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000471798560 528869812 /nfs/dbraw/zinc/86/98/12/528869812.db2.gz KVUOLZDLXLIAII-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)CCCC(C)C ZINC000471799026 528964834 /nfs/dbraw/zinc/96/48/34/528964834.db2.gz NSWAJGMFUBIDBD-AWEZNQCLSA-N 1 0 243.435 3.732 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)CCCC(C)C ZINC000471799027 528966365 /nfs/dbraw/zinc/96/63/65/528966365.db2.gz NSWAJGMFUBIDBD-CQSZACIVSA-N 1 0 243.435 3.732 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C1 ZINC000471801652 225081460 /nfs/dbraw/zinc/08/14/60/225081460.db2.gz WXJITEQBADOTSR-APIJFGDWSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C1 ZINC000471801653 225082390 /nfs/dbraw/zinc/08/23/90/225082390.db2.gz WXJITEQBADOTSR-CBBWQLFWSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C1 ZINC000471801654 225082581 /nfs/dbraw/zinc/08/25/81/225082581.db2.gz WXJITEQBADOTSR-LJISPDSOSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C1 ZINC000471801655 225081373 /nfs/dbraw/zinc/08/13/73/225081373.db2.gz WXJITEQBADOTSR-ZQDZILKHSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CC[C@H](OC)C1 ZINC000471823732 538698666 /nfs/dbraw/zinc/69/86/66/538698666.db2.gz YTNQSBPYKFAVHZ-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000471823733 538698813 /nfs/dbraw/zinc/69/88/13/538698813.db2.gz YTNQSBPYKFAVHZ-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000471823734 538698734 /nfs/dbraw/zinc/69/87/34/538698734.db2.gz YTNQSBPYKFAVHZ-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000471823735 538698844 /nfs/dbraw/zinc/69/88/44/538698844.db2.gz YTNQSBPYKFAVHZ-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000471971371 386709968 /nfs/dbraw/zinc/70/99/68/386709968.db2.gz AALFWZSHQQISIE-UHFFFAOYSA-N 1 0 230.355 3.674 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC(C)C)cc2c1C ZINC000471973679 534358618 /nfs/dbraw/zinc/35/86/18/534358618.db2.gz RWJPNIRGRKAONL-UHFFFAOYSA-N 1 0 230.355 3.530 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CCC(C)C)cc2c1C ZINC000471976085 534357814 /nfs/dbraw/zinc/35/78/14/534357814.db2.gz DKJVVIUZAIDDSS-UHFFFAOYSA-N 1 0 244.382 3.920 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C3CCCC3)cc2c1C ZINC000471978847 534358084 /nfs/dbraw/zinc/35/80/84/534358084.db2.gz PSIZSMACTJIJHW-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000471984052 529374661 /nfs/dbraw/zinc/37/46/61/529374661.db2.gz MBWNNYSKBLAHFX-LLVKDONJSA-N 1 0 230.355 3.673 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000471984053 529180793 /nfs/dbraw/zinc/18/07/93/529180793.db2.gz MBWNNYSKBLAHFX-NSHDSACASA-N 1 0 230.355 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@H]3CC3(C)C)cc2c1C ZINC000472033928 534361407 /nfs/dbraw/zinc/36/14/07/534361407.db2.gz AUJKQOAAXVGAIN-HNNXBMFYSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@@H]3CC3(C)C)cc2c1C ZINC000472033929 534357644 /nfs/dbraw/zinc/35/76/44/534357644.db2.gz AUJKQOAAXVGAIN-OAHLLOKOSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@@H]3C)cc2c1C ZINC000472035640 534358418 /nfs/dbraw/zinc/35/84/18/534358418.db2.gz SZFJQJORPZIFAS-AAEUAGOBSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C[C@H]3C[C@H]3C)cc2c1C ZINC000472035641 534357921 /nfs/dbraw/zinc/35/79/21/534357921.db2.gz SZFJQJORPZIFAS-DGCLKSJQSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C[C@H]3C[C@@H]3C)cc2c1C ZINC000472035642 534357351 /nfs/dbraw/zinc/35/73/51/534357351.db2.gz SZFJQJORPZIFAS-WCQYABFASA-N 1 0 242.366 3.530 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@H]3C)cc2c1C ZINC000472035643 534356959 /nfs/dbraw/zinc/35/69/59/534356959.db2.gz SZFJQJORPZIFAS-YPMHNXCESA-N 1 0 242.366 3.530 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC(C)(C)C)cc2c1C ZINC000472051049 534358063 /nfs/dbraw/zinc/35/80/63/534358063.db2.gz CZRWOMOJAZAZKT-UHFFFAOYSA-N 1 0 244.382 3.920 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C3(C)CCC3)cc2c1C ZINC000472056629 534357382 /nfs/dbraw/zinc/35/73/82/534357382.db2.gz XQUPPGXUKNIGOZ-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@H](C)C(C)C)cc2c1C ZINC000472057295 534361950 /nfs/dbraw/zinc/36/19/50/534361950.db2.gz GRLONVCDCKNARF-CYBMUJFWSA-N 1 0 244.382 3.919 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)C(C)C)cc2c1C ZINC000472057296 534358265 /nfs/dbraw/zinc/35/82/65/534358265.db2.gz GRLONVCDCKNARF-ZDUSSCGKSA-N 1 0 244.382 3.919 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C3CC(C)C3)cc2c1C ZINC000472059656 534357561 /nfs/dbraw/zinc/35/75/61/534357561.db2.gz OFMJDYLKZOVBGI-UHFFFAOYSA-N 1 0 242.366 3.673 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2C=CCCC2)c1 ZINC000472060407 529253303 /nfs/dbraw/zinc/25/33/03/529253303.db2.gz UASGFQLMNJCONV-AWEZNQCLSA-N 1 0 247.407 3.997 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2C=CCCC2)c1 ZINC000472060408 529252645 /nfs/dbraw/zinc/25/26/45/529252645.db2.gz UASGFQLMNJCONV-CQSZACIVSA-N 1 0 247.407 3.997 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000472061139 529253475 /nfs/dbraw/zinc/25/34/75/529253475.db2.gz AIWCTDAXSJOYTH-AWEZNQCLSA-N 1 0 247.407 3.997 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000472061140 529252896 /nfs/dbraw/zinc/25/28/96/529252896.db2.gz AIWCTDAXSJOYTH-CQSZACIVSA-N 1 0 247.407 3.997 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C(C)(C)C)cc2c1C ZINC000472064476 534358280 /nfs/dbraw/zinc/35/82/80/534358280.db2.gz SMGOADZQCPKZAF-UHFFFAOYSA-N 1 0 230.355 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC3(C)CC3)cc2c1C ZINC000472068003 534358165 /nfs/dbraw/zinc/35/81/65/534358165.db2.gz MCYXGODZPLSOJK-UHFFFAOYSA-N 1 0 242.366 3.674 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC3CCC3)cc2c1C ZINC000472068762 534357585 /nfs/dbraw/zinc/35/75/85/534357585.db2.gz QONSLDBEZLRCQY-UHFFFAOYSA-N 1 0 242.366 3.674 20 0 BHADRO CC(C)(CF)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000472134064 527066753 /nfs/dbraw/zinc/06/67/53/527066753.db2.gz FSJHGPFBKPXWTC-UHFFFAOYSA-N 1 0 247.313 3.784 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]C(C)(C)CF)cc1 ZINC000472136391 528649392 /nfs/dbraw/zinc/64/93/92/528649392.db2.gz LAPQDCHFCRWLSD-UHFFFAOYSA-N 1 0 237.362 3.723 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]C(C)(C)CF ZINC000472141347 533990217 /nfs/dbraw/zinc/99/02/17/533990217.db2.gz BFPLKYCXTAWRBV-CYBMUJFWSA-N 1 0 237.362 3.593 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]C(C)(C)CF ZINC000472141348 533670278 /nfs/dbraw/zinc/67/02/78/533670278.db2.gz BFPLKYCXTAWRBV-ZDUSSCGKSA-N 1 0 237.362 3.593 20 0 BHADRO CC(C)(CF)[NH2+]Cc1ccc2ccccc2c1 ZINC000472145056 527068001 /nfs/dbraw/zinc/06/80/01/527068001.db2.gz AJJDHCBPZNQXPZ-UHFFFAOYSA-N 1 0 231.314 3.678 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]C(C)(C)CF)cc1 ZINC000472154188 526777704 /nfs/dbraw/zinc/77/77/04/526777704.db2.gz INBXYZTZHLGEGL-UHFFFAOYSA-N 1 0 237.362 3.822 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]C(C)(C)CF)cc2c1C ZINC000472155160 534358207 /nfs/dbraw/zinc/35/82/07/534358207.db2.gz JQNZHWFJLJGLKU-UHFFFAOYSA-N 1 0 248.345 3.622 20 0 BHADRO Cc1cc2cc(C[NH2+]C(C)(C)CF)oc2cc1C ZINC000472165262 534090493 /nfs/dbraw/zinc/09/04/93/534090493.db2.gz OMNJNHNPFLNYQL-UHFFFAOYSA-N 1 0 249.329 3.887 20 0 BHADRO CC[C@H]1C[N@H+](CC)CC[C@H]1c1ccccc1 ZINC000472235247 529291427 /nfs/dbraw/zinc/29/14/27/529291427.db2.gz XKSXKNNRLWDOFG-DZGCQCFKSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1C[N@H+](CC)CC[C@@H]1c1ccccc1 ZINC000472235248 529389482 /nfs/dbraw/zinc/38/94/82/529389482.db2.gz XKSXKNNRLWDOFG-HIFRSBDPSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H]1C[N@H+](CC)CC[C@H]1c1ccccc1 ZINC000472235249 529389520 /nfs/dbraw/zinc/38/95/20/529389520.db2.gz XKSXKNNRLWDOFG-UKRRQHHQSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H]1C[N@H+](CC)CC[C@@H]1c1ccccc1 ZINC000472235250 529291307 /nfs/dbraw/zinc/29/13/07/529291307.db2.gz XKSXKNNRLWDOFG-ZFWWWQNUSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@H+](CC)Cc1cc2ccccc2o1 ZINC000472270900 528001273 /nfs/dbraw/zinc/00/12/73/528001273.db2.gz AMDGIOUSUOEAQL-UHFFFAOYSA-N 1 0 217.312 3.665 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)[C@H]1C=CCCC1 ZINC000472278770 529981264 /nfs/dbraw/zinc/98/12/64/529981264.db2.gz OOXKBIVQWJFDSE-AWEZNQCLSA-N 1 0 241.334 3.973 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)[C@@H]1C=CCCC1 ZINC000472278772 529980877 /nfs/dbraw/zinc/98/08/77/529980877.db2.gz OOXKBIVQWJFDSE-CQSZACIVSA-N 1 0 241.334 3.973 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472343196 528184998 /nfs/dbraw/zinc/18/49/98/528184998.db2.gz AMUJEOGBLWDBNE-HNNXBMFYSA-N 1 0 234.387 3.742 20 0 BHADRO CCCCC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472343198 528184160 /nfs/dbraw/zinc/18/41/60/528184160.db2.gz AMUJEOGBLWDBNE-OAHLLOKOSA-N 1 0 234.387 3.742 20 0 BHADRO CCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472363365 528248843 /nfs/dbraw/zinc/24/88/43/528248843.db2.gz ZVCWXZIOAVABTP-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472363366 528254901 /nfs/dbraw/zinc/25/49/01/528254901.db2.gz ZVCWXZIOAVABTP-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472363367 528248861 /nfs/dbraw/zinc/24/88/61/528248861.db2.gz ZVCWXZIOAVABTP-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472363368 528255085 /nfs/dbraw/zinc/25/50/85/528255085.db2.gz ZVCWXZIOAVABTP-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000472570934 533816678 /nfs/dbraw/zinc/81/66/78/533816678.db2.gz QVZYJQCXFWLVLX-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000472570935 533749626 /nfs/dbraw/zinc/74/96/26/533749626.db2.gz QVZYJQCXFWLVLX-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CSC[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000472570936 533816588 /nfs/dbraw/zinc/81/65/88/533816588.db2.gz QVZYJQCXFWLVLX-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CSC[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000472570937 533748965 /nfs/dbraw/zinc/74/89/65/533748965.db2.gz QVZYJQCXFWLVLX-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000472580222 533716730 /nfs/dbraw/zinc/71/67/30/533716730.db2.gz CNRLKSNPZANBQB-BMFZPTHFSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000472580236 533716591 /nfs/dbraw/zinc/71/65/91/533716591.db2.gz CNRLKSNPZANBQB-FVQBIDKESA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000472580237 534021160 /nfs/dbraw/zinc/02/11/60/534021160.db2.gz CNRLKSNPZANBQB-KBMXLJTQSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000472580238 534020517 /nfs/dbraw/zinc/02/05/17/534020517.db2.gz CNRLKSNPZANBQB-VNQPRFMTSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)COc1ccccc1C[N@H+](C)C(C)C ZINC000472584274 528180709 /nfs/dbraw/zinc/18/07/09/528180709.db2.gz HJKOIAHUOLZMME-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000472603502 534113382 /nfs/dbraw/zinc/11/33/82/534113382.db2.gz SVEODAICUKQPST-BLLLJJGKSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000472603503 534116004 /nfs/dbraw/zinc/11/60/04/534116004.db2.gz SVEODAICUKQPST-LRDDRELGSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000472603504 534082716 /nfs/dbraw/zinc/08/27/16/534082716.db2.gz SVEODAICUKQPST-MLGOLLRUSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000472603505 534087505 /nfs/dbraw/zinc/08/75/05/534087505.db2.gz SVEODAICUKQPST-WBMJQRKESA-N 1 0 241.378 3.842 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000472849919 528368722 /nfs/dbraw/zinc/36/87/22/528368722.db2.gz JTFBPSICOCSWLR-CYBMUJFWSA-N 1 0 205.345 3.788 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000472849950 528368245 /nfs/dbraw/zinc/36/82/45/528368245.db2.gz JTFBPSICOCSWLR-ZDUSSCGKSA-N 1 0 205.345 3.788 20 0 BHADRO CCC[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472928474 528182213 /nfs/dbraw/zinc/18/22/13/528182213.db2.gz QXGRNKFUYPNFDF-UHFFFAOYSA-N 1 0 245.366 3.584 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C(C)(C)CF)cc1 ZINC000473067823 528087117 /nfs/dbraw/zinc/08/71/17/528087117.db2.gz JAKIFFAWQNFKNE-UHFFFAOYSA-N 1 0 237.362 3.690 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCCC2(CC2)C1 ZINC000473070097 527470414 /nfs/dbraw/zinc/47/04/14/527470414.db2.gz FFPORNAPMMLUFK-YWEYNIOJSA-N 1 0 227.351 3.576 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CCCC2(CC2)C1 ZINC000473070958 527532387 /nfs/dbraw/zinc/53/23/87/527532387.db2.gz GSEGWJXYXCWXJP-NTCAYCPXSA-N 1 0 241.378 3.966 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CCCC2(CC2)C1 ZINC000473070961 527507262 /nfs/dbraw/zinc/50/72/62/527507262.db2.gz GSEGWJXYXCWXJP-QINSGFPZSA-N 1 0 241.378 3.966 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000473079584 534460365 /nfs/dbraw/zinc/46/03/65/534460365.db2.gz UJRIMANMRNUVJY-HNQUOIGGSA-N 1 0 245.341 3.715 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000473079591 225102981 /nfs/dbraw/zinc/10/29/81/225102981.db2.gz UJRIMANMRNUVJY-IWQZZHSRSA-N 1 0 245.341 3.715 20 0 BHADRO CC[C@H](C[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000473117080 529335035 /nfs/dbraw/zinc/33/50/35/529335035.db2.gz AEOSIURKJJHHIS-CYBMUJFWSA-N 1 0 233.330 3.739 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000473117096 529473283 /nfs/dbraw/zinc/47/32/83/529473283.db2.gz AEOSIURKJJHHIS-ZDUSSCGKSA-N 1 0 233.330 3.739 20 0 BHADRO CC[N@H+](Cc1cc2c(ccc(C)c2C)[nH]1)C1CC1 ZINC000473133002 528768122 /nfs/dbraw/zinc/76/81/22/528768122.db2.gz ONPMLYYJGVAHMF-UHFFFAOYSA-N 1 0 242.366 3.769 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]3C)cc2c1C ZINC000473136867 534352882 /nfs/dbraw/zinc/35/28/82/534352882.db2.gz BEMIICQNNOYPTA-GFCCVEGCSA-N 1 0 242.366 3.769 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]3C)cc2c1C ZINC000473136868 534353333 /nfs/dbraw/zinc/35/33/33/534353333.db2.gz BEMIICQNNOYPTA-LBPRGKRZSA-N 1 0 242.366 3.769 20 0 BHADRO CCSc1cccc(C[N@H+]2CC=C(C)CC2)c1 ZINC000473139468 529250409 /nfs/dbraw/zinc/25/04/09/529250409.db2.gz BFKZYQVVFXARKG-UHFFFAOYSA-N 1 0 247.407 3.951 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C)C3)cc2c1C ZINC000473140345 534355691 /nfs/dbraw/zinc/35/56/91/534355691.db2.gz MKKGUXIAKQWPRK-LLVKDONJSA-N 1 0 242.366 3.627 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C)C3)cc2c1C ZINC000473140347 534355854 /nfs/dbraw/zinc/35/58/54/534355854.db2.gz MKKGUXIAKQWPRK-NSHDSACASA-N 1 0 242.366 3.627 20 0 BHADRO Cc1ccc2[nH]c(C[N@@H+](C)C3CCC3)cc2c1C ZINC000473141282 534353734 /nfs/dbraw/zinc/35/37/34/534353734.db2.gz NOEWNNNNUSNYHB-UHFFFAOYSA-N 1 0 242.366 3.769 20 0 BHADRO CCC[N@H+](C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473141503 527854628 /nfs/dbraw/zinc/85/46/28/527854628.db2.gz OUGZNEQIZGEAOI-UHFFFAOYSA-N 1 0 230.355 3.627 20 0 BHADRO CC[NH+](CC)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473141541 528186247 /nfs/dbraw/zinc/18/62/47/528186247.db2.gz UISUDXDCUJJFNR-UHFFFAOYSA-N 1 0 230.355 3.627 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+](C)CC3CC3)cc2c1C ZINC000473142948 534353709 /nfs/dbraw/zinc/35/37/09/534353709.db2.gz CYSJYMMYUURPRC-UHFFFAOYSA-N 1 0 242.366 3.627 20 0 BHADRO Cc1ccc2[nH]c(C[N@@H+](C)CC(C)C)cc2c1C ZINC000473144101 534353950 /nfs/dbraw/zinc/35/39/50/534353950.db2.gz YYQQYECBWFUXSX-UHFFFAOYSA-N 1 0 244.382 3.873 20 0 BHADRO Cc1ccc2[nH]c(C[N@@H+](C)C(C)C)cc2c1C ZINC000473146930 534352168 /nfs/dbraw/zinc/35/21/68/534352168.db2.gz MHRKSKOTSOUMAK-UHFFFAOYSA-N 1 0 230.355 3.625 20 0 BHADRO CC[NH+](CC)[C@H](C)CCSc1ccccc1 ZINC000473284432 528262610 /nfs/dbraw/zinc/26/26/10/528262610.db2.gz RKJSCQMBJGQPSZ-CYBMUJFWSA-N 1 0 237.412 3.899 20 0 BHADRO CC[NH+](CC)[C@@H](C)CCSc1ccccc1 ZINC000473284433 528227713 /nfs/dbraw/zinc/22/77/13/528227713.db2.gz RKJSCQMBJGQPSZ-ZDUSSCGKSA-N 1 0 237.412 3.899 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCCC2(CC2)C1 ZINC000473436914 225104396 /nfs/dbraw/zinc/10/43/96/225104396.db2.gz KEZRFASGGYSLJW-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCCC2(CC2)C1 ZINC000473436919 225104486 /nfs/dbraw/zinc/10/44/86/225104486.db2.gz KEZRFASGGYSLJW-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000473440521 533816759 /nfs/dbraw/zinc/81/67/59/533816759.db2.gz UPGWDWOUFPIFPG-AWEZNQCLSA-N 1 0 229.367 3.666 20 0 BHADRO C[C@H](C[N@@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000473440522 225104540 /nfs/dbraw/zinc/10/45/40/225104540.db2.gz UPGWDWOUFPIFPG-CQSZACIVSA-N 1 0 229.367 3.666 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CCCC3(CC3)C2)c1 ZINC000473444120 225103653 /nfs/dbraw/zinc/10/36/53/225103653.db2.gz XUUHISSEGPUCSM-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC2(CC2)C1 ZINC000473445122 225103676 /nfs/dbraw/zinc/10/36/76/225103676.db2.gz RRZGBXIFCLHYRZ-INIZCTEOSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC2(CC2)C1 ZINC000473445123 225104218 /nfs/dbraw/zinc/10/42/18/225104218.db2.gz RRZGBXIFCLHYRZ-MRXNPFEDSA-N 1 0 241.378 3.940 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCCC2(CC2)C1 ZINC000473445393 533673989 /nfs/dbraw/zinc/67/39/89/533673989.db2.gz UBILNADNJFCGRS-HNNXBMFYSA-N 1 0 243.394 3.884 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCCC2(CC2)C1 ZINC000473445394 533993020 /nfs/dbraw/zinc/99/30/20/533993020.db2.gz UBILNADNJFCGRS-OAHLLOKOSA-N 1 0 243.394 3.884 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCCC3(CC3)C2)c1 ZINC000473454139 225103732 /nfs/dbraw/zinc/10/37/32/225103732.db2.gz OGSAFETWCUDMTC-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCCC3(CC3)C2)c1 ZINC000473454140 225104568 /nfs/dbraw/zinc/10/45/68/225104568.db2.gz OGSAFETWCUDMTC-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000473991278 528878431 /nfs/dbraw/zinc/87/84/31/528878431.db2.gz YUEBIMLDUVQYFW-IUODEOHRSA-N 1 0 247.382 3.844 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000473991279 528033188 /nfs/dbraw/zinc/03/31/88/528033188.db2.gz YUEBIMLDUVQYFW-SWLSCSKDSA-N 1 0 247.382 3.844 20 0 BHADRO COc1c2ccccc2oc1C[NH2+]CC(C)(C)C ZINC000473999454 533451335 /nfs/dbraw/zinc/45/13/35/533451335.db2.gz FGXCPIMJTWZFCA-UHFFFAOYSA-N 1 0 247.338 3.577 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000473999840 528067896 /nfs/dbraw/zinc/06/78/96/528067896.db2.gz KJNGTHPJHBEEFY-JTQLQIEISA-N 1 0 235.302 3.879 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000473999841 528067378 /nfs/dbraw/zinc/06/73/78/528067378.db2.gz KJNGTHPJHBEEFY-SNVBAGLBSA-N 1 0 235.302 3.879 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1oc2ccccc2c1OC ZINC000474000984 529327390 /nfs/dbraw/zinc/32/73/90/529327390.db2.gz OPLDUUXKFFKSKK-LLVKDONJSA-N 1 0 247.338 3.577 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1oc2ccccc2c1OC ZINC000474000985 529667868 /nfs/dbraw/zinc/66/78/68/529667868.db2.gz OPLDUUXKFFKSKK-NSHDSACASA-N 1 0 247.338 3.577 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@H]1C ZINC000474003331 534782442 /nfs/dbraw/zinc/78/24/42/534782442.db2.gz YNJSEVJLMJASOC-BYCMXARLSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1C ZINC000474003332 534782840 /nfs/dbraw/zinc/78/28/40/534782840.db2.gz YNJSEVJLMJASOC-KCPJHIHWSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1C ZINC000474003333 534781561 /nfs/dbraw/zinc/78/15/61/534781561.db2.gz YNJSEVJLMJASOC-NILFDRSVSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@@H]1C ZINC000474003334 534782384 /nfs/dbraw/zinc/78/23/84/534782384.db2.gz YNJSEVJLMJASOC-TUKIKUTGSA-N 1 0 245.366 3.597 20 0 BHADRO CCCOc1ccc(C[NH2+]C2CCCC2)c(C)c1 ZINC000474015864 528684321 /nfs/dbraw/zinc/68/43/21/528684321.db2.gz LOXZNQAWLUZYKT-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1cc2cccc(F)c2o1 ZINC000474021537 533365929 /nfs/dbraw/zinc/36/59/29/533365929.db2.gz UOKWIKLJKVLLCG-SECBINFHSA-N 1 0 233.286 3.633 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1cc2cccc(F)c2o1 ZINC000474021552 533839028 /nfs/dbraw/zinc/83/90/28/533839028.db2.gz UOKWIKLJKVLLCG-VIFPVBQESA-N 1 0 233.286 3.633 20 0 BHADRO Fc1ccc(CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474027434 225107523 /nfs/dbraw/zinc/10/75/23/225107523.db2.gz CXPVBELSHHGADT-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1ccc(CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474027435 225108344 /nfs/dbraw/zinc/10/83/44/225108344.db2.gz CXPVBELSHHGADT-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000474028036 533903207 /nfs/dbraw/zinc/90/32/07/533903207.db2.gz CTZCPSGCPNTFQN-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000474028212 225107893 /nfs/dbraw/zinc/10/78/93/225107893.db2.gz CTZCPSGCPNTFQN-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000474028213 533417900 /nfs/dbraw/zinc/41/79/00/533417900.db2.gz CTZCPSGCPNTFQN-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)C1CCC(F)(F)CC1 ZINC000474028214 533432196 /nfs/dbraw/zinc/43/21/96/533432196.db2.gz CTZCPSGCPNTFQN-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO C([NH2+][C@H]1CCC12CCCC2)C1(C2CC2)CCC1 ZINC000474029112 527491146 /nfs/dbraw/zinc/49/11/46/527491146.db2.gz LCIRSYUHHYDNPU-AWEZNQCLSA-N 1 0 233.399 3.879 20 0 BHADRO C([NH2+][C@@H]1CCC12CCCC2)C1(C2CC2)CCC1 ZINC000474029113 527490746 /nfs/dbraw/zinc/49/07/46/527490746.db2.gz LCIRSYUHHYDNPU-CQSZACIVSA-N 1 0 233.399 3.879 20 0 BHADRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC(C)C ZINC000474030327 225107900 /nfs/dbraw/zinc/10/79/00/225107900.db2.gz FPQOWUFHPXIMAO-HNNXBMFYSA-N 1 0 247.382 3.663 20 0 BHADRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC(C)C ZINC000474030328 225108455 /nfs/dbraw/zinc/10/84/55/225108455.db2.gz FPQOWUFHPXIMAO-OAHLLOKOSA-N 1 0 247.382 3.663 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474032678 534011060 /nfs/dbraw/zinc/01/10/60/534011060.db2.gz PUROYUHBYBQWLJ-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474032679 533526970 /nfs/dbraw/zinc/52/69/70/533526970.db2.gz PUROYUHBYBQWLJ-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474032680 225108263 /nfs/dbraw/zinc/10/82/63/225108263.db2.gz PUROYUHBYBQWLJ-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474032681 533547124 /nfs/dbraw/zinc/54/71/24/533547124.db2.gz PUROYUHBYBQWLJ-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)C1CCC(F)(F)CC1 ZINC000474035687 225108499 /nfs/dbraw/zinc/10/84/99/225108499.db2.gz VNGGTJYGYPJGNZ-AAEUAGOBSA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)C1CCC(F)(F)CC1 ZINC000474035688 533515268 /nfs/dbraw/zinc/51/52/68/533515268.db2.gz VNGGTJYGYPJGNZ-DGCLKSJQSA-N 1 0 243.341 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)C1CCC(F)(F)CC1 ZINC000474035689 533980504 /nfs/dbraw/zinc/98/05/04/533980504.db2.gz VNGGTJYGYPJGNZ-WCQYABFASA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)C1CCC(F)(F)CC1 ZINC000474035690 533538171 /nfs/dbraw/zinc/53/81/71/533538171.db2.gz VNGGTJYGYPJGNZ-YPMHNXCESA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)C1CCC(F)(F)CC1 ZINC000474037140 533367087 /nfs/dbraw/zinc/36/70/87/533367087.db2.gz AWJXRZPVWXVJJQ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)C1CCC(F)(F)CC1 ZINC000474037141 533838644 /nfs/dbraw/zinc/83/86/44/533838644.db2.gz AWJXRZPVWXVJJQ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000474037582 225107850 /nfs/dbraw/zinc/10/78/50/225107850.db2.gz XDLRGLJEZNIYST-INIZCTEOSA-N 1 0 243.394 3.850 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000474037587 225108377 /nfs/dbraw/zinc/10/83/77/225108377.db2.gz XDLRGLJEZNIYST-MRXNPFEDSA-N 1 0 243.394 3.850 20 0 BHADRO CCCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474038596 528556193 /nfs/dbraw/zinc/55/61/93/528556193.db2.gz VECKIAYSZDGNQT-HNNXBMFYSA-N 1 0 247.382 3.807 20 0 BHADRO CCCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474038598 528554742 /nfs/dbraw/zinc/55/47/42/528554742.db2.gz VECKIAYSZDGNQT-OAHLLOKOSA-N 1 0 247.382 3.807 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474042043 534485195 /nfs/dbraw/zinc/48/51/95/534485195.db2.gz HTPRECNACHDFMO-INIZCTEOSA-N 1 0 243.394 3.932 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474042045 534485874 /nfs/dbraw/zinc/48/58/74/534485874.db2.gz HTPRECNACHDFMO-MRXNPFEDSA-N 1 0 243.394 3.932 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000474042484 219892425 /nfs/dbraw/zinc/89/24/25/219892425.db2.gz XTZMOVGRQPHYEG-INIZCTEOSA-N 1 0 243.394 3.850 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000474042492 386170977 /nfs/dbraw/zinc/17/09/77/386170977.db2.gz XTZMOVGRQPHYEG-MRXNPFEDSA-N 1 0 243.394 3.850 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474043297 529376007 /nfs/dbraw/zinc/37/60/07/529376007.db2.gz KDEDCSSPJSXCTH-ABAIWWIYSA-N 1 0 247.382 3.806 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474043298 529375325 /nfs/dbraw/zinc/37/53/25/529375325.db2.gz KDEDCSSPJSXCTH-IAQYHMDHSA-N 1 0 247.382 3.806 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474043299 529183117 /nfs/dbraw/zinc/18/31/17/529183117.db2.gz KDEDCSSPJSXCTH-NHYWBVRUSA-N 1 0 247.382 3.806 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474043300 529181613 /nfs/dbraw/zinc/18/16/13/529181613.db2.gz KDEDCSSPJSXCTH-XHDPSFHLSA-N 1 0 247.382 3.806 20 0 BHADRO Fc1cccc(CC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000474044723 225107807 /nfs/dbraw/zinc/10/78/07/225107807.db2.gz MYUHXGVNJPKHHG-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1cccc(CC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000474044724 225108054 /nfs/dbraw/zinc/10/80/54/225108054.db2.gz MYUHXGVNJPKHHG-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000474045766 225108235 /nfs/dbraw/zinc/10/82/35/225108235.db2.gz QVUVUWKHGJZOCP-AWEZNQCLSA-N 1 0 249.423 3.911 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000474045767 225108151 /nfs/dbraw/zinc/10/81/51/225108151.db2.gz QVUVUWKHGJZOCP-CQSZACIVSA-N 1 0 249.423 3.911 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474050648 225107885 /nfs/dbraw/zinc/10/78/85/225107885.db2.gz ARJQJNGPDFGDMF-HNNXBMFYSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474050649 225108386 /nfs/dbraw/zinc/10/83/86/225108386.db2.gz ARJQJNGPDFGDMF-OAHLLOKOSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474053901 533808521 /nfs/dbraw/zinc/80/85/21/533808521.db2.gz DUBAUDJYMMUELN-INIZCTEOSA-N 1 0 243.394 3.850 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474053902 533806470 /nfs/dbraw/zinc/80/64/70/533806470.db2.gz DUBAUDJYMMUELN-MRXNPFEDSA-N 1 0 243.394 3.850 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000474055147 225107853 /nfs/dbraw/zinc/10/78/53/225107853.db2.gz IALQVKPLDOVWGL-HNNXBMFYSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000474055148 225108430 /nfs/dbraw/zinc/10/84/30/225108430.db2.gz IALQVKPLDOVWGL-OAHLLOKOSA-N 1 0 229.367 3.807 20 0 BHADRO CCC(CC)[NH2+]Cc1oc2ccccc2c1OC ZINC000474055338 528803438 /nfs/dbraw/zinc/80/34/38/528803438.db2.gz OWELMEYOKMTEPL-UHFFFAOYSA-N 1 0 247.338 3.720 20 0 BHADRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCC1 ZINC000474055647 225108591 /nfs/dbraw/zinc/10/85/91/225108591.db2.gz IWAZINFPMTVKTJ-HNNXBMFYSA-N 1 0 245.366 3.560 20 0 BHADRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCC1 ZINC000474055650 225107912 /nfs/dbraw/zinc/10/79/12/225107912.db2.gz IWAZINFPMTVKTJ-OAHLLOKOSA-N 1 0 245.366 3.560 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474055902 225107670 /nfs/dbraw/zinc/10/76/70/225107670.db2.gz KNMZQGKOGODORD-NEPJUHHUSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474055904 225108195 /nfs/dbraw/zinc/10/81/95/225108195.db2.gz KNMZQGKOGODORD-NWDGAFQWSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474055906 225108565 /nfs/dbraw/zinc/10/85/65/225108565.db2.gz KNMZQGKOGODORD-RYUDHWBXSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474055908 225108465 /nfs/dbraw/zinc/10/84/65/225108465.db2.gz KNMZQGKOGODORD-VXGBXAGGSA-N 1 0 243.341 3.877 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474058661 225107650 /nfs/dbraw/zinc/10/76/50/225107650.db2.gz YZHGRZGQONHREU-HNNXBMFYSA-N 1 0 229.367 3.542 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474058662 225107782 /nfs/dbraw/zinc/10/77/82/225107782.db2.gz YZHGRZGQONHREU-OAHLLOKOSA-N 1 0 229.367 3.542 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H]1CCC12CCCC2 ZINC000474059406 528833630 /nfs/dbraw/zinc/83/36/30/528833630.db2.gz QAICOFNUFNKXSB-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H]1CCC12CCCC2 ZINC000474059408 528968758 /nfs/dbraw/zinc/96/87/58/528968758.db2.gz QAICOFNUFNKXSB-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H]1CCC12CCCC2 ZINC000474059410 528832899 /nfs/dbraw/zinc/83/28/99/528832899.db2.gz QAICOFNUFNKXSB-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H]1CCC12CCCC2 ZINC000474059411 528968496 /nfs/dbraw/zinc/96/84/96/528968496.db2.gz QAICOFNUFNKXSB-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC23CCCC3)ccc1F ZINC000474061703 225108418 /nfs/dbraw/zinc/10/84/18/225108418.db2.gz TYAJLEGJOKWLND-HNNXBMFYSA-N 1 0 247.357 3.947 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC23CCCC3)ccc1F ZINC000474061705 225108305 /nfs/dbraw/zinc/10/83/05/225108305.db2.gz TYAJLEGJOKWLND-OAHLLOKOSA-N 1 0 247.357 3.947 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000474062720 225108218 /nfs/dbraw/zinc/10/82/18/225108218.db2.gz AIPDCLPKVVPSDY-HNNXBMFYSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000474062722 225107836 /nfs/dbraw/zinc/10/78/36/225107836.db2.gz AIPDCLPKVVPSDY-OAHLLOKOSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1F ZINC000474064949 225107813 /nfs/dbraw/zinc/10/78/13/225107813.db2.gz YNNCZTNEYSTBJX-HNNXBMFYSA-N 1 0 247.357 3.947 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1F ZINC000474064950 225108460 /nfs/dbraw/zinc/10/84/60/225108460.db2.gz YNNCZTNEYSTBJX-OAHLLOKOSA-N 1 0 247.357 3.947 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000474065048 225108108 /nfs/dbraw/zinc/10/81/08/225108108.db2.gz GDZZPQOINYGTQJ-AAEUAGOBSA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000474065049 533515958 /nfs/dbraw/zinc/51/59/58/533515958.db2.gz GDZZPQOINYGTQJ-DGCLKSJQSA-N 1 0 243.341 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000474065050 225108168 /nfs/dbraw/zinc/10/81/68/225108168.db2.gz GDZZPQOINYGTQJ-WCQYABFASA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000474065051 533539493 /nfs/dbraw/zinc/53/94/93/533539493.db2.gz GDZZPQOINYGTQJ-YPMHNXCESA-N 1 0 243.341 3.899 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474065822 533766926 /nfs/dbraw/zinc/76/69/26/533766926.db2.gz ZLCCEZJXYZCSBA-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474065823 533768370 /nfs/dbraw/zinc/76/83/70/533768370.db2.gz ZLCCEZJXYZCSBA-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474065825 533505568 /nfs/dbraw/zinc/50/55/68/533505568.db2.gz ZLCCEZJXYZCSBA-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)C1CCC(F)(F)CC1 ZINC000474065826 533496033 /nfs/dbraw/zinc/49/60/33/533496033.db2.gz ZLCCEZJXYZCSBA-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO Fc1ccccc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000474066237 225108350 /nfs/dbraw/zinc/10/83/50/225108350.db2.gz IGAFYEPNVBKANE-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1ccccc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000474066238 225108040 /nfs/dbraw/zinc/10/80/40/225108040.db2.gz IGAFYEPNVBKANE-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCC34CCCC4)CC2)cc1 ZINC000474066622 534480461 /nfs/dbraw/zinc/48/04/61/534480461.db2.gz NGKXIOKUGARAPV-HNNXBMFYSA-N 1 0 241.378 3.988 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCC34CCCC4)CC2)cc1 ZINC000474066624 534481854 /nfs/dbraw/zinc/48/18/54/534481854.db2.gz NGKXIOKUGARAPV-OAHLLOKOSA-N 1 0 241.378 3.988 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1oc2ccccc2c1OC ZINC000474068063 528899662 /nfs/dbraw/zinc/89/96/62/528899662.db2.gz SLGPYNABWVQBMQ-LLVKDONJSA-N 1 0 247.338 3.720 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1oc2ccccc2c1OC ZINC000474068064 528066908 /nfs/dbraw/zinc/06/69/08/528066908.db2.gz SLGPYNABWVQBMQ-NSHDSACASA-N 1 0 247.338 3.720 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)C1CCC(F)(F)CC1 ZINC000474068671 533355342 /nfs/dbraw/zinc/35/53/42/533355342.db2.gz XOZYUPYHVNSPKB-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)C1CCC(F)(F)CC1 ZINC000474068673 225109064 /nfs/dbraw/zinc/10/90/64/225109064.db2.gz XOZYUPYHVNSPKB-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000474068779 225109342 /nfs/dbraw/zinc/10/93/42/225109342.db2.gz SLQUHTXVWFRLBI-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000474068781 225109382 /nfs/dbraw/zinc/10/93/82/225109382.db2.gz SLQUHTXVWFRLBI-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474069613 533692342 /nfs/dbraw/zinc/69/23/42/533692342.db2.gz WRHKKADOOXRREV-DZGCQCFKSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC12CCCC2 ZINC000474069614 534000882 /nfs/dbraw/zinc/00/08/82/534000882.db2.gz WRHKKADOOXRREV-HIFRSBDPSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474069615 534001061 /nfs/dbraw/zinc/00/10/61/534001061.db2.gz WRHKKADOOXRREV-UKRRQHHQSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC12CCCC2 ZINC000474069616 533692606 /nfs/dbraw/zinc/69/26/06/533692606.db2.gz WRHKKADOOXRREV-ZFWWWQNUSA-N 1 0 247.382 3.913 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474069845 527753212 /nfs/dbraw/zinc/75/32/12/527753212.db2.gz WYSRMXBFYOALBN-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474069846 527751712 /nfs/dbraw/zinc/75/17/12/527751712.db2.gz WYSRMXBFYOALBN-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(C)C ZINC000474077228 528897890 /nfs/dbraw/zinc/89/78/90/528897890.db2.gz DKHMHKIPQGHXAX-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)CC1CCCC1)C(C)C ZINC000474077229 528994994 /nfs/dbraw/zinc/99/49/94/528994994.db2.gz DKHMHKIPQGHXAX-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(C)C ZINC000474077231 528899321 /nfs/dbraw/zinc/89/93/21/528899321.db2.gz DKHMHKIPQGHXAX-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(C)C ZINC000474077232 528993496 /nfs/dbraw/zinc/99/34/96/528993496.db2.gz DKHMHKIPQGHXAX-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC1CC(OCC)C1 ZINC000474077295 528783074 /nfs/dbraw/zinc/78/30/74/528783074.db2.gz FEGBUMZIOZYJPH-SHARSMKWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC1CC(OCC)C1 ZINC000474077296 528914266 /nfs/dbraw/zinc/91/42/66/528914266.db2.gz FEGBUMZIOZYJPH-SLTAFYQDSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474077424 528106874 /nfs/dbraw/zinc/10/68/74/528106874.db2.gz BXBNWPDUEQKION-DZGCQCFKSA-N 1 0 247.382 3.987 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474077425 528924590 /nfs/dbraw/zinc/92/45/90/528924590.db2.gz BXBNWPDUEQKION-UKRRQHHQSA-N 1 0 247.382 3.987 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000474078216 528689691 /nfs/dbraw/zinc/68/96/91/528689691.db2.gz ABIDIFVMNXKQPD-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000474078217 528687687 /nfs/dbraw/zinc/68/76/87/528687687.db2.gz ABIDIFVMNXKQPD-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)CC)c(C)c1 ZINC000474078520 528689090 /nfs/dbraw/zinc/68/90/90/528689090.db2.gz BIQVIWKNIVYSPK-CYBMUJFWSA-N 1 0 235.371 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)CC)c(C)c1 ZINC000474078521 528687728 /nfs/dbraw/zinc/68/77/28/528687728.db2.gz BIQVIWKNIVYSPK-ZDUSSCGKSA-N 1 0 235.371 3.672 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474079585 529413629 /nfs/dbraw/zinc/41/36/29/529413629.db2.gz DWXWZDVZXYNKDJ-OSAQELSMSA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474079586 529394310 /nfs/dbraw/zinc/39/43/10/529394310.db2.gz DWXWZDVZXYNKDJ-UXIGCNINSA-N 1 0 247.382 3.843 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474081055 528894560 /nfs/dbraw/zinc/89/45/60/528894560.db2.gz IMGIPCSBADCCJZ-DZGCQCFKSA-N 1 0 247.382 3.987 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000474081056 528765055 /nfs/dbraw/zinc/76/50/55/528765055.db2.gz IMGIPCSBADCCJZ-UKRRQHHQSA-N 1 0 247.382 3.987 20 0 BHADRO CCOC[C@H]([NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000474083977 528995750 /nfs/dbraw/zinc/99/57/50/528995750.db2.gz WVNMESNNFHGEPD-CABCVRRESA-N 1 0 241.419 3.772 20 0 BHADRO CCOC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000474083978 528994208 /nfs/dbraw/zinc/99/42/08/528994208.db2.gz WVNMESNNFHGEPD-GJZGRUSLSA-N 1 0 241.419 3.772 20 0 BHADRO CCOC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000474083979 528899333 /nfs/dbraw/zinc/89/93/33/528899333.db2.gz WVNMESNNFHGEPD-HUUCEWRRSA-N 1 0 241.419 3.772 20 0 BHADRO CCOC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000474083980 528897490 /nfs/dbraw/zinc/89/74/90/528897490.db2.gz WVNMESNNFHGEPD-LSDHHAIUSA-N 1 0 241.419 3.772 20 0 BHADRO CC(C)[C@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000474093266 528988955 /nfs/dbraw/zinc/98/89/55/528988955.db2.gz CHUKWIAYFLONTH-HNNXBMFYSA-N 1 0 219.372 3.766 20 0 BHADRO CC(C)[C@@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000474093267 528437493 /nfs/dbraw/zinc/43/74/93/528437493.db2.gz CHUKWIAYFLONTH-OAHLLOKOSA-N 1 0 219.372 3.766 20 0 BHADRO CCCC[NH+](CCCC)Cc1cnccc1C ZINC000474099394 528404718 /nfs/dbraw/zinc/40/47/18/528404718.db2.gz PFSJIKPIYBDGHO-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO CCCOc1ccc(C[NH2+]C2CC(C)C2)c(C)c1 ZINC000474102184 528684409 /nfs/dbraw/zinc/68/44/09/528684409.db2.gz DAJCNFKHQIDMDQ-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[N@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000474105897 527840060 /nfs/dbraw/zinc/84/00/60/527840060.db2.gz NVWLYUOEXZRWKT-HNNXBMFYSA-N 1 0 219.372 3.768 20 0 BHADRO CCC[N@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000474105899 527826116 /nfs/dbraw/zinc/82/61/16/527826116.db2.gz NVWLYUOEXZRWKT-OAHLLOKOSA-N 1 0 219.372 3.768 20 0 BHADRO CCc1cccc(F)c1C[N@@H+](CC)C(C)C ZINC000474106229 529174067 /nfs/dbraw/zinc/17/40/67/529174067.db2.gz MZLGLAZISWTZCI-UHFFFAOYSA-N 1 0 223.335 3.618 20 0 BHADRO CC[N@H+](C)C[C@H](CC(C)C)c1ccccc1 ZINC000474106330 527824296 /nfs/dbraw/zinc/82/42/96/527824296.db2.gz NSAMZEAUBRBCRO-HNNXBMFYSA-N 1 0 219.372 3.768 20 0 BHADRO CC[N@H+](C)C[C@@H](CC(C)C)c1ccccc1 ZINC000474106333 527801827 /nfs/dbraw/zinc/80/18/27/527801827.db2.gz NSAMZEAUBRBCRO-OAHLLOKOSA-N 1 0 219.372 3.768 20 0 BHADRO CC(C)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000474120124 528995080 /nfs/dbraw/zinc/99/50/80/528995080.db2.gz SEPPNKMIIFHPDM-HNNXBMFYSA-N 1 0 217.356 3.522 20 0 BHADRO CC(C)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000474120125 528445604 /nfs/dbraw/zinc/44/56/04/528445604.db2.gz SEPPNKMIIFHPDM-OAHLLOKOSA-N 1 0 217.356 3.522 20 0 BHADRO CCc1cccc(F)c1C[N@H+](C)[C@H](C)C1CC1 ZINC000474150689 529172133 /nfs/dbraw/zinc/17/21/33/529172133.db2.gz BHOHMTQGQIWDNZ-LLVKDONJSA-N 1 0 235.346 3.618 20 0 BHADRO CCc1cccc(F)c1C[N@H+](C)[C@@H](C)C1CC1 ZINC000474150690 529172405 /nfs/dbraw/zinc/17/24/05/529172405.db2.gz BHOHMTQGQIWDNZ-NSHDSACASA-N 1 0 235.346 3.618 20 0 BHADRO CC(C)[C@H](C[N@H+](C)C1CC1)c1ccccc1 ZINC000474150926 528989509 /nfs/dbraw/zinc/98/95/09/528989509.db2.gz CAOWOJBADLZNJQ-HNNXBMFYSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[C@@H](C[N@H+](C)C1CC1)c1ccccc1 ZINC000474150927 528438437 /nfs/dbraw/zinc/43/84/37/528438437.db2.gz CAOWOJBADLZNJQ-OAHLLOKOSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[C@H](C[N@H+](C)CC1CC1)c1ccccc1 ZINC000474151812 528989861 /nfs/dbraw/zinc/98/98/61/528989861.db2.gz ROQMJOXXQAYZPC-INIZCTEOSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)[C@@H](C[N@H+](C)CC1CC1)c1ccccc1 ZINC000474151813 528437810 /nfs/dbraw/zinc/43/78/10/528437810.db2.gz ROQMJOXXQAYZPC-MRXNPFEDSA-N 1 0 231.383 3.768 20 0 BHADRO CCc1cccc(F)c1C[N@@H+](C)[C@H](C)CC ZINC000474152241 529172395 /nfs/dbraw/zinc/17/23/95/529172395.db2.gz UATHCUZXPHJHEQ-LLVKDONJSA-N 1 0 223.335 3.618 20 0 BHADRO CCc1cccc(F)c1C[N@@H+](C)[C@@H](C)CC ZINC000474152242 529172422 /nfs/dbraw/zinc/17/24/22/529172422.db2.gz UATHCUZXPHJHEQ-NSHDSACASA-N 1 0 223.335 3.618 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474155359 528138890 /nfs/dbraw/zinc/13/88/90/528138890.db2.gz BROCFPHZLNMUBR-UHFFFAOYSA-N 1 0 223.335 3.836 20 0 BHADRO COCCCCC[N@H+](CC(C)C)CC(C)(C)C ZINC000474216651 225115253 /nfs/dbraw/zinc/11/52/53/225115253.db2.gz FJCOPQYBSGVWDI-UHFFFAOYSA-N 1 0 243.435 3.807 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474221836 528235877 /nfs/dbraw/zinc/23/58/77/528235877.db2.gz VRZDIJGIQWQOQA-HNNXBMFYSA-N 1 0 217.356 3.850 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474221837 528225724 /nfs/dbraw/zinc/22/57/24/528225724.db2.gz VRZDIJGIQWQOQA-OAHLLOKOSA-N 1 0 217.356 3.850 20 0 BHADRO Cc1ccncc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000474259093 225115096 /nfs/dbraw/zinc/11/50/96/225115096.db2.gz NSSWDFIQIMAOAP-FMKPAKJESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccncc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000474259095 225115301 /nfs/dbraw/zinc/11/53/01/225115301.db2.gz NSSWDFIQIMAOAP-IIAWOOMASA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccncc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000474259097 225114732 /nfs/dbraw/zinc/11/47/32/225114732.db2.gz NSSWDFIQIMAOAP-IJEWVQPXSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccncc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000474259098 225115267 /nfs/dbraw/zinc/11/52/67/225115267.db2.gz NSSWDFIQIMAOAP-YCPHGPKFSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccncc1C[N@H+](C)CCC1CCCCC1 ZINC000474262453 225115173 /nfs/dbraw/zinc/11/51/73/225115173.db2.gz CWVNXNFIGZAYFD-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1ccncc1C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000474265737 225114331 /nfs/dbraw/zinc/11/43/31/225114331.db2.gz IAPYQWIADAHXKF-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccncc1C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000474265738 225115197 /nfs/dbraw/zinc/11/51/97/225115197.db2.gz IAPYQWIADAHXKF-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CCc1cccc(F)c1C[N@@H+]1CCC12CCC2 ZINC000474270375 529173239 /nfs/dbraw/zinc/17/32/39/529173239.db2.gz COIYEIKYLTXYMH-UHFFFAOYSA-N 1 0 233.330 3.517 20 0 BHADRO Cc1ccncc1C[N@@H+](CC(C)C)CC(C)(C)C ZINC000474270719 225115186 /nfs/dbraw/zinc/11/51/86/225115186.db2.gz NARKACBOKYRRES-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO CCOCCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000474279548 528659213 /nfs/dbraw/zinc/65/92/13/528659213.db2.gz XVZOHHFCHFLICV-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CC(C)[C@H](C[N@H+](C)C1CCC1)c1ccccc1 ZINC000474279785 528989531 /nfs/dbraw/zinc/98/95/31/528989531.db2.gz SURFVCUHNNTDDE-INIZCTEOSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@@H](C[N@H+](C)C1CCC1)c1ccccc1 ZINC000474279786 528437330 /nfs/dbraw/zinc/43/73/30/528437330.db2.gz SURFVCUHNNTDDE-MRXNPFEDSA-N 1 0 231.383 3.911 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000474383227 528275299 /nfs/dbraw/zinc/27/52/99/528275299.db2.gz AAEHSXNFMOQARL-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000474383228 528261567 /nfs/dbraw/zinc/26/15/67/528261567.db2.gz AAEHSXNFMOQARL-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1ccc(CCC[NH2+]C2CCCCCC2)cn1 ZINC000474458028 225118553 /nfs/dbraw/zinc/11/85/53/225118553.db2.gz HKYIFLKFALGTCM-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)C1CCC1 ZINC000474467527 225118697 /nfs/dbraw/zinc/11/86/97/225118697.db2.gz HXTIBEZLHVGFDL-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)C1CCC1 ZINC000474467528 533363753 /nfs/dbraw/zinc/36/37/53/533363753.db2.gz HXTIBEZLHVGFDL-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CCCC1 ZINC000474473255 225118786 /nfs/dbraw/zinc/11/87/86/225118786.db2.gz XRQLERWQCZDBSJ-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CCCC1 ZINC000474473258 533364921 /nfs/dbraw/zinc/36/49/21/533364921.db2.gz XRQLERWQCZDBSJ-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]([NH2+]CC1CC1)C1CCC(C(F)(F)F)CC1 ZINC000474474061 538744769 /nfs/dbraw/zinc/74/47/69/538744769.db2.gz RJPUOZLTKSKYNA-GCVQQVDUSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)C1CCC(C(F)(F)F)CC1 ZINC000474474064 538744001 /nfs/dbraw/zinc/74/40/01/538744001.db2.gz RJPUOZLTKSKYNA-OIKLOGQESA-N 1 0 249.320 3.743 20 0 BHADRO Cc1ccc(CCC[NH2+]C2(C)CCCCC2)cn1 ZINC000474477908 225118704 /nfs/dbraw/zinc/11/87/04/225118704.db2.gz NPPUUAGTISDOEZ-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO CCc1cccc(F)c1C[NH2+]Cc1cccs1 ZINC000474483294 529175032 /nfs/dbraw/zinc/17/50/32/529175032.db2.gz VBGYETUOUVKZMJ-UHFFFAOYSA-N 1 0 249.354 3.739 20 0 BHADRO CCc1cccc(F)c1C[NH2+]Cc1ccccc1 ZINC000474485510 529174518 /nfs/dbraw/zinc/17/45/18/529174518.db2.gz FKPUEHVIYFUVIE-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474601382 533070923 /nfs/dbraw/zinc/07/09/23/533070923.db2.gz RIMFFYWNZZXJBI-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474601383 533070986 /nfs/dbraw/zinc/07/09/86/533070986.db2.gz RIMFFYWNZZXJBI-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474601384 533070957 /nfs/dbraw/zinc/07/09/57/533070957.db2.gz RIMFFYWNZZXJBI-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474601385 533070541 /nfs/dbraw/zinc/07/05/41/533070541.db2.gz RIMFFYWNZZXJBI-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H](C)C2CCC2)CC1 ZINC000474601899 534802901 /nfs/dbraw/zinc/80/29/01/534802901.db2.gz RVWANSQEJNZQLO-AWEZNQCLSA-N 1 0 243.394 3.805 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@H](C)C2CCC2)CC1 ZINC000474601901 534802569 /nfs/dbraw/zinc/80/25/69/534802569.db2.gz RVWANSQEJNZQLO-CQSZACIVSA-N 1 0 243.394 3.805 20 0 BHADRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000474604952 225118245 /nfs/dbraw/zinc/11/82/45/225118245.db2.gz KEUYZGFRRPHROC-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000474604953 225118219 /nfs/dbraw/zinc/11/82/19/225118219.db2.gz KEUYZGFRRPHROC-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000474604955 225118363 /nfs/dbraw/zinc/11/83/63/225118363.db2.gz KEUYZGFRRPHROC-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000474604956 225119054 /nfs/dbraw/zinc/11/90/54/225119054.db2.gz KEUYZGFRRPHROC-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)C1CCCCC1 ZINC000474605689 225118889 /nfs/dbraw/zinc/11/88/89/225118889.db2.gz JNUVLSVILFAISH-IPYPFGDCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)C1CCCCC1 ZINC000474605690 225119138 /nfs/dbraw/zinc/11/91/38/225119138.db2.gz JNUVLSVILFAISH-NFAWXSAZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)C1CCCCC1 ZINC000474605691 225118475 /nfs/dbraw/zinc/11/84/75/225118475.db2.gz JNUVLSVILFAISH-UMVBOHGHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)C1CCCCC1 ZINC000474605692 225118307 /nfs/dbraw/zinc/11/83/07/225118307.db2.gz JNUVLSVILFAISH-VNHYZAJKSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)C1CCC1 ZINC000474606528 533353007 /nfs/dbraw/zinc/35/30/07/533353007.db2.gz LEFODBZLOFMBQA-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1F)C1CCC1 ZINC000474606529 225120451 /nfs/dbraw/zinc/12/04/51/225120451.db2.gz LEFODBZLOFMBQA-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)C2CCC2)c(C)c1 ZINC000474619435 533806903 /nfs/dbraw/zinc/80/69/03/533806903.db2.gz LRVGSLBIVGWYHD-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)C2CCC2)c(C)c1 ZINC000474619436 533806318 /nfs/dbraw/zinc/80/63/18/533806318.db2.gz LRVGSLBIVGWYHD-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474626693 225119811 /nfs/dbraw/zinc/11/98/11/225119811.db2.gz GOPSWJFTQZJKPF-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@H](C)C2CCC2)cc1 ZINC000474626695 225120344 /nfs/dbraw/zinc/12/03/44/225120344.db2.gz GOPSWJFTQZJKPF-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnccc1C ZINC000474706813 528874382 /nfs/dbraw/zinc/87/43/82/528874382.db2.gz BVIFXZUZFXHDLL-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cnccc1C ZINC000474706815 529005080 /nfs/dbraw/zinc/00/50/80/529005080.db2.gz BVIFXZUZFXHDLL-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000474706816 529003347 /nfs/dbraw/zinc/00/33/47/529003347.db2.gz BVIFXZUZFXHDLL-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000474706818 528870021 /nfs/dbraw/zinc/87/00/21/528870021.db2.gz BVIFXZUZFXHDLL-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CC(C)C[C@@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000474708698 528329411 /nfs/dbraw/zinc/32/94/11/528329411.db2.gz CUBLJCORNJSYQO-HNNXBMFYSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C[C@H](C[NH2+]C1CCC1)c1ccccc1 ZINC000474708699 528531605 /nfs/dbraw/zinc/53/16/05/528531605.db2.gz CUBLJCORNJSYQO-OAHLLOKOSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)C1CCC(C(F)(F)F)CC1 ZINC000474710463 538753310 /nfs/dbraw/zinc/75/33/10/538753310.db2.gz GHXZPGYSTNAFNL-KPPDAEKUSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+]C1CCC1)C1CCC(C(F)(F)F)CC1 ZINC000474710464 538752682 /nfs/dbraw/zinc/75/26/82/538752682.db2.gz GHXZPGYSTNAFNL-WHXUTIOJSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccc(C)nc1)C(C)(C)C ZINC000474722389 529600130 /nfs/dbraw/zinc/60/01/30/529600130.db2.gz YCMVEHVESZAIRG-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccc(C)nc1)C(C)(C)C ZINC000474722390 529163043 /nfs/dbraw/zinc/16/30/43/529163043.db2.gz YCMVEHVESZAIRG-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1CCC1 ZINC000474724742 533353863 /nfs/dbraw/zinc/35/38/63/533353863.db2.gz KMHVQXZBAAYAKI-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1CCC1 ZINC000474724744 225120059 /nfs/dbraw/zinc/12/00/59/225120059.db2.gz KMHVQXZBAAYAKI-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1CCC1 ZINC000474727086 533353892 /nfs/dbraw/zinc/35/38/92/533353892.db2.gz IYWBQGDPESGTPI-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1CCC1 ZINC000474727087 225120502 /nfs/dbraw/zinc/12/05/02/225120502.db2.gz IYWBQGDPESGTPI-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCCCC1)C1CCC1 ZINC000474731453 225120079 /nfs/dbraw/zinc/12/00/79/225120079.db2.gz VDAPZPMLFICUQC-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCCCC1)C1CCC1 ZINC000474731454 533859999 /nfs/dbraw/zinc/85/99/99/533859999.db2.gz VDAPZPMLFICUQC-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCc1ccc(C)nc1 ZINC000474794481 528637026 /nfs/dbraw/zinc/63/70/26/528637026.db2.gz JNFRJHIVXWJEMG-UHFFFAOYSA-N 1 0 248.414 3.881 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](C)C1CCC1 ZINC000474796029 528246686 /nfs/dbraw/zinc/24/66/86/528246686.db2.gz KVMQIMPUBYQOKO-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CCC1 ZINC000474796030 528244601 /nfs/dbraw/zinc/24/46/01/528244601.db2.gz KVMQIMPUBYQOKO-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)C1CCC1 ZINC000474798067 533353573 /nfs/dbraw/zinc/35/35/73/533353573.db2.gz JDKWBALDWLPHOT-CYBMUJFWSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)C1CCC1 ZINC000474798068 225121716 /nfs/dbraw/zinc/12/17/16/225121716.db2.gz JDKWBALDWLPHOT-ZDUSSCGKSA-N 1 0 247.382 3.622 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@H](C)C1CCC1 ZINC000474799570 534147861 /nfs/dbraw/zinc/14/78/61/534147861.db2.gz PLQQGMCUHMZPPM-GFCCVEGCSA-N 1 0 249.423 3.995 20 0 BHADRO CSc1cc(C)ccc1C[NH2+][C@@H](C)C1CCC1 ZINC000474799571 534146712 /nfs/dbraw/zinc/14/67/12/534146712.db2.gz PLQQGMCUHMZPPM-LBPRGKRZSA-N 1 0 249.423 3.995 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474800387 529399470 /nfs/dbraw/zinc/39/94/70/529399470.db2.gz STNQUSVEBWBAJK-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474800388 529398935 /nfs/dbraw/zinc/39/89/35/529398935.db2.gz STNQUSVEBWBAJK-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474800406 529399634 /nfs/dbraw/zinc/39/96/34/529399634.db2.gz STNQUSVEBWBAJK-UMVBOHGHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474800407 529399001 /nfs/dbraw/zinc/39/90/01/529399001.db2.gz STNQUSVEBWBAJK-VNHYZAJKSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474800711 225121480 /nfs/dbraw/zinc/12/14/80/225121480.db2.gz NRHUNUMXVHQSBC-KBPBESRZSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474800712 225121890 /nfs/dbraw/zinc/12/18/90/225121890.db2.gz NRHUNUMXVHQSBC-KGLIPLIRSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)C2CCC2)cc1 ZINC000474800713 225121690 /nfs/dbraw/zinc/12/16/90/225121690.db2.gz NRHUNUMXVHQSBC-UONOGXRCSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H](C)C2CCC2)cc1 ZINC000474800714 225121308 /nfs/dbraw/zinc/12/13/08/225121308.db2.gz NRHUNUMXVHQSBC-ZIAGYGMSSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)C2CCC2)c1 ZINC000474800960 225122011 /nfs/dbraw/zinc/12/20/11/225122011.db2.gz WBCYISNQUXCZKF-KBPBESRZSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)C2CCC2)c1 ZINC000474800961 225121760 /nfs/dbraw/zinc/12/17/60/225121760.db2.gz WBCYISNQUXCZKF-KGLIPLIRSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)C2CCC2)c1 ZINC000474800962 225121251 /nfs/dbraw/zinc/12/12/51/225121251.db2.gz WBCYISNQUXCZKF-UONOGXRCSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H](C)C2CCC2)c1 ZINC000474800963 225121202 /nfs/dbraw/zinc/12/12/02/225121202.db2.gz WBCYISNQUXCZKF-ZIAGYGMSSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H](C)C2CCC2)c1 ZINC000474801882 225121732 /nfs/dbraw/zinc/12/17/32/225121732.db2.gz OAAMMYPLFQLDDM-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H](C)C2CCC2)c1 ZINC000474801884 225121748 /nfs/dbraw/zinc/12/17/48/225121748.db2.gz OAAMMYPLFQLDDM-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1CCC1)Sc1ccccc1 ZINC000474804700 225121022 /nfs/dbraw/zinc/12/10/22/225121022.db2.gz QTZOHARFDRDZMQ-CHWSQXEVSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)Sc1ccccc1 ZINC000474804701 225121389 /nfs/dbraw/zinc/12/13/89/225121389.db2.gz QTZOHARFDRDZMQ-OLZOCXBDSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)C1CCC1 ZINC000474804702 533428279 /nfs/dbraw/zinc/42/82/79/533428279.db2.gz QTZOHARFDRDZMQ-QWHCGFSZSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)Sc1ccccc1 ZINC000474804703 225121660 /nfs/dbraw/zinc/12/16/60/225121660.db2.gz QTZOHARFDRDZMQ-STQMWFEESA-N 1 0 249.423 3.945 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474808012 534200782 /nfs/dbraw/zinc/20/07/82/534200782.db2.gz JVCJUYMNEVXOJM-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474808013 225121399 /nfs/dbraw/zinc/12/13/99/225121399.db2.gz JVCJUYMNEVXOJM-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)C2CCC2)cc1 ZINC000474808014 534199610 /nfs/dbraw/zinc/19/96/10/534199610.db2.gz JVCJUYMNEVXOJM-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)C2CCC2)cc1 ZINC000474808015 225121365 /nfs/dbraw/zinc/12/13/65/225121365.db2.gz JVCJUYMNEVXOJM-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO CCc1cccc(F)c1C[NH2+][C@@H]1CC=CCC1 ZINC000474814992 529174857 /nfs/dbraw/zinc/17/48/57/529174857.db2.gz HVACIAHSFJJTAH-CYBMUJFWSA-N 1 0 233.330 3.586 20 0 BHADRO CCc1cccc(F)c1C[NH2+][C@H]1CC=CCC1 ZINC000474814993 529174905 /nfs/dbraw/zinc/17/49/05/529174905.db2.gz HVACIAHSFJJTAH-ZDUSSCGKSA-N 1 0 233.330 3.586 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C)C1CCCC1 ZINC000474817105 225122559 /nfs/dbraw/zinc/12/25/59/225122559.db2.gz ZEYYJXSYRFVBBT-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000474817106 533669897 /nfs/dbraw/zinc/66/98/97/533669897.db2.gz ZEYYJXSYRFVBBT-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)C2CCC2)c1 ZINC000474817123 225122907 /nfs/dbraw/zinc/12/29/07/225122907.db2.gz ZMLZIZONFASCPB-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)C2CCC2)c1 ZINC000474817124 225122408 /nfs/dbraw/zinc/12/24/08/225122408.db2.gz ZMLZIZONFASCPB-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)C2CCC2)c1 ZINC000474817125 225122971 /nfs/dbraw/zinc/12/29/71/225122971.db2.gz ZMLZIZONFASCPB-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)C2CCC2)c1 ZINC000474817126 224764205 /nfs/dbraw/zinc/76/42/05/224764205.db2.gz ZMLZIZONFASCPB-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)C1CCCCC1)C(C)(C)C ZINC000474817723 225122956 /nfs/dbraw/zinc/12/29/56/225122956.db2.gz KNFOMQNRQKLPRW-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)C1CCCCC1)C(C)(C)C ZINC000474817724 225122853 /nfs/dbraw/zinc/12/28/53/225122853.db2.gz KNFOMQNRQKLPRW-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)C1CCCCC1)C(C)(C)C ZINC000474817725 225122669 /nfs/dbraw/zinc/12/26/69/225122669.db2.gz KNFOMQNRQKLPRW-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)C1CCCCC1)C(C)(C)C ZINC000474817726 225123062 /nfs/dbraw/zinc/12/30/62/225123062.db2.gz KNFOMQNRQKLPRW-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)C1CCC1 ZINC000474820531 225122730 /nfs/dbraw/zinc/12/27/30/225122730.db2.gz SGINGNKIJQGIEZ-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)C1CCC1 ZINC000474820533 225122868 /nfs/dbraw/zinc/12/28/68/225122868.db2.gz SGINGNKIJQGIEZ-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)C1CCC1 ZINC000474820535 225122811 /nfs/dbraw/zinc/12/28/11/225122811.db2.gz SGINGNKIJQGIEZ-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)C1CCC1 ZINC000474820537 225122657 /nfs/dbraw/zinc/12/26/57/225122657.db2.gz SGINGNKIJQGIEZ-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H](C)C1CCCC1)C(C)C ZINC000474821434 528049857 /nfs/dbraw/zinc/04/98/57/528049857.db2.gz VIOGMDXITXPVOJ-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H](C)C1CCCC1)C(C)C ZINC000474821435 527731506 /nfs/dbraw/zinc/73/15/06/527731506.db2.gz VIOGMDXITXPVOJ-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@H](C)C1CCCC1)C(C)C ZINC000474821436 528050365 /nfs/dbraw/zinc/05/03/65/528050365.db2.gz VIOGMDXITXPVOJ-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H](C)C1CCCC1)C(C)C ZINC000474821437 527728841 /nfs/dbraw/zinc/72/88/41/527728841.db2.gz VIOGMDXITXPVOJ-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CCc1cccc(F)c1C[NH2+]CC1(C2CC2)CC1 ZINC000474878799 529173590 /nfs/dbraw/zinc/17/35/90/529173590.db2.gz QYNUZELQPRPRIN-UHFFFAOYSA-N 1 0 247.357 3.668 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000474888417 225122833 /nfs/dbraw/zinc/12/28/33/225122833.db2.gz CQLJACGTJYBLMZ-CVEARBPZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)c1 ZINC000474888418 225122900 /nfs/dbraw/zinc/12/29/00/225122900.db2.gz CQLJACGTJYBLMZ-HOTGVXAUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000474888419 225122945 /nfs/dbraw/zinc/12/29/45/225122945.db2.gz CQLJACGTJYBLMZ-HZPDHXFCSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC000474888420 225123059 /nfs/dbraw/zinc/12/30/59/225123059.db2.gz CQLJACGTJYBLMZ-JKSUJKDBSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccncc1C[NH2+]CC(C)(C)C1CCCC1 ZINC000474895127 534415154 /nfs/dbraw/zinc/41/51/54/534415154.db2.gz VANJEWSLBVFPBK-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccncc1C[NH2+]CCC1=CCCCCC1 ZINC000474922189 534415456 /nfs/dbraw/zinc/41/54/56/534415456.db2.gz GGPDIFXUJVSMKA-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccon2)C1 ZINC000474928606 324151569 /nfs/dbraw/zinc/15/15/69/324151569.db2.gz PBZIOXDZAFTVNY-AVGNSLFASA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccon2)C1 ZINC000474928608 324151423 /nfs/dbraw/zinc/15/14/23/324151423.db2.gz PBZIOXDZAFTVNY-RWMBFGLXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccon2)C1 ZINC000474928611 324151535 /nfs/dbraw/zinc/15/15/35/324151535.db2.gz PBZIOXDZAFTVNY-XQQFMLRXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccon2)C1 ZINC000474928613 324151397 /nfs/dbraw/zinc/15/13/97/324151397.db2.gz PBZIOXDZAFTVNY-YNEHKIRRSA-N 1 0 236.359 3.540 20 0 BHADRO CCC1(C[NH2+]Cc2cnccc2C)CCCCC1 ZINC000474929787 324151950 /nfs/dbraw/zinc/15/19/50/324151950.db2.gz PAEPRIBFJOSEID-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474935584 528980294 /nfs/dbraw/zinc/98/02/94/528980294.db2.gz KTWSVBZCGWIGIT-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474935587 528978832 /nfs/dbraw/zinc/97/88/32/528978832.db2.gz KTWSVBZCGWIGIT-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474935590 528979830 /nfs/dbraw/zinc/97/98/30/528979830.db2.gz KTWSVBZCGWIGIT-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474935591 528979200 /nfs/dbraw/zinc/97/92/00/528979200.db2.gz KTWSVBZCGWIGIT-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)OCCCC[NH+]1CCC(C)(C)CC1 ZINC000474945983 526549828 /nfs/dbraw/zinc/54/98/28/526549828.db2.gz MHSDEKVEOUHJBB-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)[N@H+](C[C@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000474973873 528936352 /nfs/dbraw/zinc/93/63/52/528936352.db2.gz OHFWVNNBPYUIMN-DZGCQCFKSA-N 1 0 239.403 3.597 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000474973874 528925846 /nfs/dbraw/zinc/92/58/46/528925846.db2.gz OHFWVNNBPYUIMN-HIFRSBDPSA-N 1 0 239.403 3.597 20 0 BHADRO CC(C)[N@H+](C[C@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000474973877 528936434 /nfs/dbraw/zinc/93/64/34/528936434.db2.gz OHFWVNNBPYUIMN-UKRRQHHQSA-N 1 0 239.403 3.597 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000474973879 528925756 /nfs/dbraw/zinc/92/57/56/528925756.db2.gz OHFWVNNBPYUIMN-ZFWWWQNUSA-N 1 0 239.403 3.597 20 0 BHADRO C[C@H]1C[N@@H+](CCCCOC(C)(C)C)CC[C@@H]1C ZINC000474977051 533928735 /nfs/dbraw/zinc/92/87/35/533928735.db2.gz MLEFWNMECBWLTK-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@@H]1C ZINC000474977052 534031568 /nfs/dbraw/zinc/03/15/68/534031568.db2.gz MLEFWNMECBWLTK-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@H]1C ZINC000474977053 225124207 /nfs/dbraw/zinc/12/42/07/225124207.db2.gz MLEFWNMECBWLTK-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@H]1C ZINC000474977054 534031254 /nfs/dbraw/zinc/03/12/54/534031254.db2.gz MLEFWNMECBWLTK-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCCOC(C)(C)C ZINC000474978657 529313867 /nfs/dbraw/zinc/31/38/67/529313867.db2.gz ZKWHFUYDLDYALK-CYBMUJFWSA-N 1 0 229.408 3.560 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCCOC(C)(C)C ZINC000474978661 529650925 /nfs/dbraw/zinc/65/09/25/529650925.db2.gz ZKWHFUYDLDYALK-ZDUSSCGKSA-N 1 0 229.408 3.560 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475023121 529217157 /nfs/dbraw/zinc/21/71/57/529217157.db2.gz LZWWXSMRSXXLGA-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475023122 529298874 /nfs/dbraw/zinc/29/88/74/529298874.db2.gz LZWWXSMRSXXLGA-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)CC(C)(C)C ZINC000475024983 529884981 /nfs/dbraw/zinc/88/49/81/529884981.db2.gz VZRHWCPXMDEQND-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCCCOC(C)(C)C)C1 ZINC000475028197 225125673 /nfs/dbraw/zinc/12/56/73/225125673.db2.gz XRQCDPXVOFIEKI-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCCCOC(C)(C)C)C1 ZINC000475028198 534222553 /nfs/dbraw/zinc/22/25/53/534222553.db2.gz XRQCDPXVOFIEKI-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCCOC(C)(C)C ZINC000475028200 534219285 /nfs/dbraw/zinc/21/92/85/534219285.db2.gz XRQCDPXVOFIEKI-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCCCOC(C)(C)C)C1 ZINC000475028201 225125878 /nfs/dbraw/zinc/12/58/78/225125878.db2.gz XRQCDPXVOFIEKI-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1C[N@H+](CCCCOC(C)(C)C)C(C)(C)C1 ZINC000475028246 533930311 /nfs/dbraw/zinc/93/03/11/533930311.db2.gz YLGVAEOZCHBWHC-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1C[N@H+](CCCCOC(C)(C)C)C(C)(C)C1 ZINC000475028247 534463220 /nfs/dbraw/zinc/46/32/20/534463220.db2.gz YLGVAEOZCHBWHC-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@]1(C)CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475034029 529527324 /nfs/dbraw/zinc/52/73/24/529527324.db2.gz LXSCHACVKLJKMI-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@]1(C)CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475034030 529400193 /nfs/dbraw/zinc/40/01/93/529400193.db2.gz LXSCHACVKLJKMI-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCCCOC(C)(C)C ZINC000475038823 528673955 /nfs/dbraw/zinc/67/39/55/528673955.db2.gz MWXUIHPJZZQFPB-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCCCOC(C)(C)C ZINC000475038825 527782526 /nfs/dbraw/zinc/78/25/26/527782526.db2.gz MWXUIHPJZZQFPB-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCOC(C)(C)C ZINC000475039142 533827704 /nfs/dbraw/zinc/82/77/04/533827704.db2.gz OUILVPURDWEIBJ-OKILXGFUSA-N 1 0 241.419 3.845 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCCOC(C)(C)C ZINC000475040029 529325420 /nfs/dbraw/zinc/32/54/20/529325420.db2.gz TUPVRMBTOCAELP-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCCOC(C)(C)C ZINC000475040030 529316517 /nfs/dbraw/zinc/31/65/17/529316517.db2.gz TUPVRMBTOCAELP-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCCOC(C)(C)C ZINC000475040031 529439253 /nfs/dbraw/zinc/43/92/53/529439253.db2.gz TUPVRMBTOCAELP-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCCOC(C)(C)C ZINC000475040032 529423454 /nfs/dbraw/zinc/42/34/54/529423454.db2.gz TUPVRMBTOCAELP-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000475043824 528262129 /nfs/dbraw/zinc/26/21/29/528262129.db2.gz FTXMGKFWMYQXAX-KFWWJZLASA-N 1 0 239.403 3.599 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000475043825 528262504 /nfs/dbraw/zinc/26/25/04/528262504.db2.gz FTXMGKFWMYQXAX-RBSFLKMASA-N 1 0 239.403 3.599 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000475043826 528262088 /nfs/dbraw/zinc/26/20/88/528262088.db2.gz FTXMGKFWMYQXAX-RRFJBIMHSA-N 1 0 239.403 3.599 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000475043827 528262178 /nfs/dbraw/zinc/26/21/78/528262178.db2.gz FTXMGKFWMYQXAX-ZNMIVQPWSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCCCOC(C)(C)C)C1 ZINC000475044025 225126296 /nfs/dbraw/zinc/12/62/96/225126296.db2.gz ASDYQTRNDTZVKW-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOC(C)(C)C)C1 ZINC000475044026 533798112 /nfs/dbraw/zinc/79/81/12/533798112.db2.gz ASDYQTRNDTZVKW-OKILXGFUSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCOC(C)(C)C)C1 ZINC000475044027 225126140 /nfs/dbraw/zinc/12/61/40/225126140.db2.gz ASDYQTRNDTZVKW-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCCOC(C)(C)C ZINC000475046371 528407351 /nfs/dbraw/zinc/40/73/51/528407351.db2.gz DFJKTXUEUDIEHM-CYBMUJFWSA-N 1 0 229.408 3.558 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCCOC(C)(C)C ZINC000475046372 528957729 /nfs/dbraw/zinc/95/77/29/528957729.db2.gz DFJKTXUEUDIEHM-ZDUSSCGKSA-N 1 0 229.408 3.558 20 0 BHADRO CCCC[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000475046663 528349161 /nfs/dbraw/zinc/34/91/61/528349161.db2.gz IXLUFVAJKOSYOH-HNNXBMFYSA-N 1 0 249.398 3.714 20 0 BHADRO CCCC[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000475046664 528349111 /nfs/dbraw/zinc/34/91/11/528349111.db2.gz IXLUFVAJKOSYOH-OAHLLOKOSA-N 1 0 249.398 3.714 20 0 BHADRO CC(C)C[N@H+](CCCCOC(C)(C)C)C1CC1 ZINC000475047149 527938968 /nfs/dbraw/zinc/93/89/68/527938968.db2.gz KDSAZTMACXNJNP-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475047303 527800055 /nfs/dbraw/zinc/80/00/55/527800055.db2.gz GQSVNCCQLWIREV-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475047305 528698467 /nfs/dbraw/zinc/69/84/67/528698467.db2.gz GQSVNCCQLWIREV-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CCCCOC(C)(C)C)CC(C)C ZINC000475047714 528064200 /nfs/dbraw/zinc/06/42/00/528064200.db2.gz MARJYQAQMFSRJX-UHFFFAOYSA-N 1 0 243.435 3.950 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCCOC(C)(C)C ZINC000475050202 529199898 /nfs/dbraw/zinc/19/98/98/529199898.db2.gz UPBWQIKXUSIMEZ-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCCOC(C)(C)C ZINC000475050204 529271697 /nfs/dbraw/zinc/27/16/97/529271697.db2.gz UPBWQIKXUSIMEZ-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CCCC[N@H+](CCCCOC(C)(C)C)C1CC1 ZINC000475050240 528407690 /nfs/dbraw/zinc/40/76/90/528407690.db2.gz UVJJVBHGGDHTDY-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)C1CCCCC1 ZINC000475050692 529884856 /nfs/dbraw/zinc/88/48/56/529884856.db2.gz XHSOTTCTODGOOP-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)C[N@H+](CCCCOC(C)(C)C)C(C)C ZINC000475051111 527939112 /nfs/dbraw/zinc/93/91/12/527939112.db2.gz YJZJZFVZLDMZGL-UHFFFAOYSA-N 1 0 243.435 3.948 20 0 BHADRO CCC[NH+](CCC)CCCCOC(C)(C)C ZINC000475051267 528055521 /nfs/dbraw/zinc/05/55/21/528055521.db2.gz ZYWKGEDWRTWCKR-UHFFFAOYSA-N 1 0 229.408 3.704 20 0 BHADRO CCC1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000475053141 527869021 /nfs/dbraw/zinc/86/90/21/527869021.db2.gz GRUZHXZCPVXUFA-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCCCOC(C)(C)C ZINC000475053408 529657417 /nfs/dbraw/zinc/65/74/17/529657417.db2.gz LSJXQORVJYHMCX-AWEZNQCLSA-N 1 0 243.435 3.950 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCCCOC(C)(C)C ZINC000475053409 529318974 /nfs/dbraw/zinc/31/89/74/529318974.db2.gz LSJXQORVJYHMCX-CQSZACIVSA-N 1 0 243.435 3.950 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCCOC(C)(C)C ZINC000475055266 528886803 /nfs/dbraw/zinc/88/68/03/528886803.db2.gz UMSSKKINPRNKDK-CYBMUJFWSA-N 1 0 229.408 3.702 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCCOC(C)(C)C ZINC000475055267 528046025 /nfs/dbraw/zinc/04/60/25/528046025.db2.gz UMSSKKINPRNKDK-ZDUSSCGKSA-N 1 0 229.408 3.702 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)CC(C)C ZINC000475055404 528432349 /nfs/dbraw/zinc/43/23/49/528432349.db2.gz YSNSDQLYLQXIIO-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO C[C@H]1CCC[N@H+](CCCCOC(C)(C)C)[C@H]1C ZINC000475056066 225128180 /nfs/dbraw/zinc/12/81/80/225128180.db2.gz UDIKTSMBUUDRAP-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)[C@H]1C ZINC000475056067 225127809 /nfs/dbraw/zinc/12/78/09/225127809.db2.gz UDIKTSMBUUDRAP-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCOC(C)(C)C ZINC000475056068 534230916 /nfs/dbraw/zinc/23/09/16/534230916.db2.gz UDIKTSMBUUDRAP-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)[C@@H]1C ZINC000475056069 225127319 /nfs/dbraw/zinc/12/73/19/225127319.db2.gz UDIKTSMBUUDRAP-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)CC1CCCC1 ZINC000475057464 529884865 /nfs/dbraw/zinc/88/48/65/529884865.db2.gz ZHOPFISCWBOEER-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)[C@@H](C)C(C)C ZINC000475058219 528432294 /nfs/dbraw/zinc/43/22/94/528432294.db2.gz QZXQVMNSSGMKGS-AWEZNQCLSA-N 1 0 243.435 3.948 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)[C@H](C)C(C)C ZINC000475058220 528432474 /nfs/dbraw/zinc/43/24/74/528432474.db2.gz QZXQVMNSSGMKGS-CQSZACIVSA-N 1 0 243.435 3.948 20 0 BHADRO CCC[N@H+](CCCCOC(C)(C)C)CC1CC1 ZINC000475059116 528063077 /nfs/dbraw/zinc/06/30/77/528063077.db2.gz HUPQXWXSFFXKDM-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)(C)OCCCC[N@@H+]1CCCC(C)(C)C1 ZINC000475061509 526549513 /nfs/dbraw/zinc/54/95/13/526549513.db2.gz GEUDNZJJXQPGLW-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCCCOC(C)(C)C ZINC000475061816 225127131 /nfs/dbraw/zinc/12/71/31/225127131.db2.gz OUILVPURDWEIBJ-KBPBESRZSA-N 1 0 241.419 3.845 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCOC(C)(C)C ZINC000475061817 533735130 /nfs/dbraw/zinc/73/51/30/533735130.db2.gz OUILVPURDWEIBJ-ZIAGYGMSSA-N 1 0 241.419 3.845 20 0 BHADRO CCCC[N@H+](CC)CCCCOC(C)(C)C ZINC000475064628 528393062 /nfs/dbraw/zinc/39/30/62/528393062.db2.gz WVXRKLYWSAOAEM-UHFFFAOYSA-N 1 0 229.408 3.704 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CCCCOC(C)(C)C ZINC000475069234 225127641 /nfs/dbraw/zinc/12/76/41/225127641.db2.gz QJVKXDWUPHDLEI-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CCCCOC(C)(C)C ZINC000475069235 225127755 /nfs/dbraw/zinc/12/77/55/225127755.db2.gz QJVKXDWUPHDLEI-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CCOC(C)(C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000475084333 528432994 /nfs/dbraw/zinc/43/29/94/528432994.db2.gz CNPXHKLETNGLDI-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCOC(C)(C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000475084334 528431977 /nfs/dbraw/zinc/43/19/77/528431977.db2.gz CNPXHKLETNGLDI-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000475087980 225126911 /nfs/dbraw/zinc/12/69/11/225126911.db2.gz FGVLTHFNGXZPIJ-GBJTYRQASA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000475087981 225127806 /nfs/dbraw/zinc/12/78/06/225127806.db2.gz FGVLTHFNGXZPIJ-LJISPDSOSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000475087982 533109499 /nfs/dbraw/zinc/10/94/99/533109499.db2.gz FGVLTHFNGXZPIJ-XGUBFFRZSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000475087983 533109117 /nfs/dbraw/zinc/10/91/17/533109117.db2.gz FGVLTHFNGXZPIJ-YJNKXOJESA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000475092947 534416555 /nfs/dbraw/zinc/41/65/55/534416555.db2.gz MMPPOKBZQDUNCS-CYBMUJFWSA-N 1 0 248.414 3.942 20 0 BHADRO Cc1ccncc1C[NH2+]CC[C@H](C)CC(C)(C)C ZINC000475092949 534415104 /nfs/dbraw/zinc/41/51/04/534415104.db2.gz MMPPOKBZQDUNCS-ZDUSSCGKSA-N 1 0 248.414 3.942 20 0 BHADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccs2)C1 ZINC000475149133 533818949 /nfs/dbraw/zinc/81/89/49/533818949.db2.gz FXWNBRXCNQYUKD-GRYCIOLGSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccs2)C1 ZINC000475149134 225129255 /nfs/dbraw/zinc/12/92/55/225129255.db2.gz FXWNBRXCNQYUKD-IJLUTSLNSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccs2)C1 ZINC000475149135 225128845 /nfs/dbraw/zinc/12/88/45/225128845.db2.gz FXWNBRXCNQYUKD-UTUOFQBUSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccs2)C1 ZINC000475149136 225128936 /nfs/dbraw/zinc/12/89/36/225128936.db2.gz FXWNBRXCNQYUKD-WOPDTQHZSA-N 1 0 223.385 3.615 20 0 BHADRO C[C@H](C[NH2+]CCC1(C)CC1)c1ccc(F)cc1 ZINC000475189377 225128746 /nfs/dbraw/zinc/12/87/46/225128746.db2.gz APTQOYVJOCABFS-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](C[NH2+]CCC1(C)CC1)c1ccc(F)cc1 ZINC000475189378 534057214 /nfs/dbraw/zinc/05/72/14/534057214.db2.gz APTQOYVJOCABFS-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000475192080 527926403 /nfs/dbraw/zinc/92/64/03/527926403.db2.gz QCZKKJLAZIILBP-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000475192081 527928550 /nfs/dbraw/zinc/92/85/50/527928550.db2.gz QCZKKJLAZIILBP-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC1(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000475192082 527928132 /nfs/dbraw/zinc/92/81/32/527928132.db2.gz QCZKKJLAZIILBP-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000475192083 527926673 /nfs/dbraw/zinc/92/66/73/527926673.db2.gz QCZKKJLAZIILBP-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H](C)C1CCCCC1 ZINC000475192208 533329954 /nfs/dbraw/zinc/32/99/54/533329954.db2.gz AVJYLDRTASPSLI-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]C1CC(F)(F)C1)[C@@H](C)C1CCCCC1 ZINC000475192209 533793930 /nfs/dbraw/zinc/79/39/30/533793930.db2.gz AVJYLDRTASPSLI-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]C1CC(F)(F)C1)C1CCCCC1 ZINC000475192210 534036509 /nfs/dbraw/zinc/03/65/09/534036509.db2.gz AVJYLDRTASPSLI-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@H](C)C1CCCCC1 ZINC000475192211 533329870 /nfs/dbraw/zinc/32/98/70/533329870.db2.gz AVJYLDRTASPSLI-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]CCC1(C)CC1 ZINC000475192796 225129242 /nfs/dbraw/zinc/12/92/42/225129242.db2.gz BXDBGRZABMLMCK-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCC1(C)CC1 ZINC000475192797 533668670 /nfs/dbraw/zinc/66/86/70/533668670.db2.gz BXDBGRZABMLMCK-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO CC1(CC[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000475195113 527925751 /nfs/dbraw/zinc/92/57/51/527925751.db2.gz XDPABHMPNZTFFI-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(CC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000475195244 527926679 /nfs/dbraw/zinc/92/66/79/527926679.db2.gz HVAUCHIPFCASOE-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000475196582 528591994 /nfs/dbraw/zinc/59/19/94/528591994.db2.gz KMWDHAOCRCKXKM-NEPJUHHUSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000475196583 528380525 /nfs/dbraw/zinc/38/05/25/528380525.db2.gz KMWDHAOCRCKXKM-NWDGAFQWSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000475196584 528382390 /nfs/dbraw/zinc/38/23/90/528382390.db2.gz KMWDHAOCRCKXKM-RYUDHWBXSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000475196585 528592349 /nfs/dbraw/zinc/59/23/49/528592349.db2.gz KMWDHAOCRCKXKM-VXGBXAGGSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC1(C)CC1 ZINC000475199994 225128813 /nfs/dbraw/zinc/12/88/13/225128813.db2.gz XXYJTDFCAOHNAE-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000475199995 225128722 /nfs/dbraw/zinc/12/87/22/225128722.db2.gz XXYJTDFCAOHNAE-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]CCC1(C)CC1 ZINC000475200229 225129572 /nfs/dbraw/zinc/12/95/72/225129572.db2.gz BVLJNMANKPNOFS-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]CCC1(C)CC1 ZINC000475200230 533680588 /nfs/dbraw/zinc/68/05/88/533680588.db2.gz BVLJNMANKPNOFS-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201204 528104470 /nfs/dbraw/zinc/10/44/70/528104470.db2.gz FATDQNIOCJNAFN-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201205 528923452 /nfs/dbraw/zinc/92/34/52/528923452.db2.gz FATDQNIOCJNAFN-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201278 529413506 /nfs/dbraw/zinc/41/35/06/529413506.db2.gz HRAAKWRHDSCKJQ-DNDYEEKYSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201279 529242037 /nfs/dbraw/zinc/24/20/37/529242037.db2.gz HRAAKWRHDSCKJQ-HESLUPGFSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201280 529393559 /nfs/dbraw/zinc/39/35/59/529393559.db2.gz HRAAKWRHDSCKJQ-LMRVLLHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475201281 529206377 /nfs/dbraw/zinc/20/63/77/529206377.db2.gz HRAAKWRHDSCKJQ-ZUJMUWTESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000475203404 225129175 /nfs/dbraw/zinc/12/91/75/225129175.db2.gz PISDVAKGPFLBAX-BPUTZDHNSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000475203405 225129500 /nfs/dbraw/zinc/12/95/00/225129500.db2.gz PISDVAKGPFLBAX-CWRNSKLLSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000475203406 225128911 /nfs/dbraw/zinc/12/89/11/225128911.db2.gz PISDVAKGPFLBAX-IMJJTQAJSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC000475203407 225129532 /nfs/dbraw/zinc/12/95/32/225129532.db2.gz PISDVAKGPFLBAX-NUEKZKHPSA-N 1 0 243.394 3.958 20 0 BHADRO COC1CCC(C)(C[NH2+]C2CCCCC2)CC1 ZINC000475204221 225128974 /nfs/dbraw/zinc/12/89/74/225128974.db2.gz GQDLIFGDQIQUEX-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CC[NH2+]CCC1(C)CC1)c1ccccc1 ZINC000475205820 533608725 /nfs/dbraw/zinc/60/87/25/533608725.db2.gz KKFRIEMVBUQVDC-AWEZNQCLSA-N 1 0 231.383 3.960 20 0 BHADRO C[C@H](CC[NH2+]CCC1(C)CC1)c1ccccc1 ZINC000475205821 533940734 /nfs/dbraw/zinc/94/07/34/533940734.db2.gz KKFRIEMVBUQVDC-CQSZACIVSA-N 1 0 231.383 3.960 20 0 BHADRO CC1(CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000475205913 527926702 /nfs/dbraw/zinc/92/67/02/527926702.db2.gz AVCZVRKKPMXMBS-UHFFFAOYSA-N 1 0 247.357 3.852 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCC(OC)CC1)C(C)C ZINC000475207343 529155988 /nfs/dbraw/zinc/15/59/88/529155988.db2.gz ZWIFJMBQGMKPII-SHARSMKWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCC(OC)CC1)C(C)C ZINC000475207344 529590749 /nfs/dbraw/zinc/59/07/49/529590749.db2.gz ZWIFJMBQGMKPII-SLTAFYQDSA-N 1 0 241.419 3.606 20 0 BHADRO FC(F)C1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000475208883 225128514 /nfs/dbraw/zinc/12/85/14/225128514.db2.gz BFKPXCKEFDOWSY-NEPJUHHUSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000475208885 225129775 /nfs/dbraw/zinc/12/97/75/225129775.db2.gz BFKPXCKEFDOWSY-NWDGAFQWSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000475208887 225129119 /nfs/dbraw/zinc/12/91/19/225129119.db2.gz BFKPXCKEFDOWSY-RYUDHWBXSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000475208889 225128733 /nfs/dbraw/zinc/12/87/33/225128733.db2.gz BFKPXCKEFDOWSY-VXGBXAGGSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+]CC2(C(F)F)CC2)CCCCCC1 ZINC000475209947 527980818 /nfs/dbraw/zinc/98/08/18/527980818.db2.gz FKZFFGVCSXDYAL-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000475210638 528689619 /nfs/dbraw/zinc/68/96/19/528689619.db2.gz HNNJXLVOFGWGSS-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000475210639 527788158 /nfs/dbraw/zinc/78/81/58/527788158.db2.gz HNNJXLVOFGWGSS-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000475210641 527791858 /nfs/dbraw/zinc/79/18/58/527791858.db2.gz HNNJXLVOFGWGSS-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000475210643 528681220 /nfs/dbraw/zinc/68/12/20/528681220.db2.gz HNNJXLVOFGWGSS-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475211093 528868771 /nfs/dbraw/zinc/86/87/71/528868771.db2.gz APYRHGFAXZMMTI-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475211096 529005307 /nfs/dbraw/zinc/00/53/07/529005307.db2.gz APYRHGFAXZMMTI-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475211097 529001855 /nfs/dbraw/zinc/00/18/55/529001855.db2.gz APYRHGFAXZMMTI-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475211098 528874830 /nfs/dbraw/zinc/87/48/30/528874830.db2.gz APYRHGFAXZMMTI-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1(C)CC1 ZINC000475211915 225129707 /nfs/dbraw/zinc/12/97/07/225129707.db2.gz UXKSKOCOQPXYCL-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)[C@@H](C)c1ccccc1 ZINC000475211916 533839704 /nfs/dbraw/zinc/83/97/04/533839704.db2.gz UXKSKOCOQPXYCL-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)[C@H](C)c1ccccc1 ZINC000475211917 533374088 /nfs/dbraw/zinc/37/40/88/533374088.db2.gz UXKSKOCOQPXYCL-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)[C@@H](C)c1ccccc1 ZINC000475211918 533375239 /nfs/dbraw/zinc/37/52/39/533375239.db2.gz UXKSKOCOQPXYCL-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCCCCC1 ZINC000475212450 225128575 /nfs/dbraw/zinc/12/85/75/225128575.db2.gz BJVMRXUBEIXDAH-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)F)CC1)C1CCCCCC1 ZINC000475212452 225129296 /nfs/dbraw/zinc/12/92/96/225129296.db2.gz BJVMRXUBEIXDAH-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC1(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000475214902 527928203 /nfs/dbraw/zinc/92/82/03/527928203.db2.gz RJXOWTJCWFTWIX-AWEZNQCLSA-N 1 0 249.785 3.587 20 0 BHADRO CC1(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000475214918 527926073 /nfs/dbraw/zinc/92/60/73/527926073.db2.gz RJXOWTJCWFTWIX-CQSZACIVSA-N 1 0 249.785 3.587 20 0 BHADRO FC(F)C1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000475215195 225130037 /nfs/dbraw/zinc/13/00/37/225130037.db2.gz QHLFBGXUMDEUBD-NEPJUHHUSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000475215196 225130883 /nfs/dbraw/zinc/13/08/83/225130883.db2.gz QHLFBGXUMDEUBD-NWDGAFQWSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000475215197 225130462 /nfs/dbraw/zinc/13/04/62/225130462.db2.gz QHLFBGXUMDEUBD-RYUDHWBXSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000475215198 225130871 /nfs/dbraw/zinc/13/08/71/225130871.db2.gz QHLFBGXUMDEUBD-VXGBXAGGSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC1(C)CC1 ZINC000475216679 529545032 /nfs/dbraw/zinc/54/50/32/529545032.db2.gz VDMYTJJQOSOJKL-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC1(C)CC1 ZINC000475216681 529430990 /nfs/dbraw/zinc/43/09/90/529430990.db2.gz VDMYTJJQOSOJKL-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000475217271 529312756 /nfs/dbraw/zinc/31/27/56/529312756.db2.gz WSYXRTNPFQBOIB-NEPJUHHUSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000475217272 529221904 /nfs/dbraw/zinc/22/19/04/529221904.db2.gz WSYXRTNPFQBOIB-NWDGAFQWSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000475217273 529229944 /nfs/dbraw/zinc/22/99/44/529229944.db2.gz WSYXRTNPFQBOIB-RYUDHWBXSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000475217274 529302560 /nfs/dbraw/zinc/30/25/60/529302560.db2.gz WSYXRTNPFQBOIB-VXGBXAGGSA-N 1 0 245.357 3.838 20 0 BHADRO CCC1(C)CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475217659 529015732 /nfs/dbraw/zinc/01/57/32/529015732.db2.gz XTUAOCYYPAEDPU-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475217660 528077910 /nfs/dbraw/zinc/07/79/10/528077910.db2.gz XUONJILITVGNHB-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC1(C(F)F)CC1 ZINC000475217661 225130675 /nfs/dbraw/zinc/13/06/75/225130675.db2.gz XUSHLOVSWARRTG-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC1(C(F)F)CC1 ZINC000475217662 225130273 /nfs/dbraw/zinc/13/02/73/225130273.db2.gz XUSHLOVSWARRTG-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)C1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475218066 527646510 /nfs/dbraw/zinc/64/65/10/527646510.db2.gz UMOUJKPTRKRMPX-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC(C)(C)C1 ZINC000475218196 533641837 /nfs/dbraw/zinc/64/18/37/533641837.db2.gz YVUAOUMVLXPIQT-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC(C)(C)C1 ZINC000475218199 533942370 /nfs/dbraw/zinc/94/23/70/533942370.db2.gz YVUAOUMVLXPIQT-MNOVXSKESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC(C)(C)C1 ZINC000475218202 534111050 /nfs/dbraw/zinc/11/10/50/534111050.db2.gz YVUAOUMVLXPIQT-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC(C)(C)C1 ZINC000475218204 225130474 /nfs/dbraw/zinc/13/04/74/225130474.db2.gz YVUAOUMVLXPIQT-WDEREUQCSA-N 1 0 245.357 3.836 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000475218915 528106133 /nfs/dbraw/zinc/10/61/33/528106133.db2.gz XUPOZQCZTBJEMX-NEPJUHHUSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000475218916 528108645 /nfs/dbraw/zinc/10/86/45/528108645.db2.gz XUPOZQCZTBJEMX-NWDGAFQWSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000475218917 528109425 /nfs/dbraw/zinc/10/94/25/528109425.db2.gz XUPOZQCZTBJEMX-RYUDHWBXSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000475218918 528105522 /nfs/dbraw/zinc/10/55/22/528105522.db2.gz XUPOZQCZTBJEMX-VXGBXAGGSA-N 1 0 243.341 3.614 20 0 BHADRO Cc1ccncc1C[NH2+][C@H](C)CC1CCCCC1 ZINC000475219661 534420285 /nfs/dbraw/zinc/42/02/85/534420285.db2.gz MUCGDLDIHWRGLZ-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccncc1C[NH2+][C@@H](C)CC1CCCCC1 ZINC000475220039 534418736 /nfs/dbraw/zinc/41/87/36/534418736.db2.gz MUCGDLDIHWRGLZ-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC1(C)CC1 ZINC000475220053 533675852 /nfs/dbraw/zinc/67/58/52/533675852.db2.gz MXDTXYZKHQTEGT-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC1(C)CC1 ZINC000475220054 225128774 /nfs/dbraw/zinc/12/87/74/225128774.db2.gz MXDTXYZKHQTEGT-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475220082 528893710 /nfs/dbraw/zinc/89/37/10/528893710.db2.gz NBXOCKYJKBXOGQ-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000475220083 528763005 /nfs/dbraw/zinc/76/30/05/528763005.db2.gz NBXOCKYJKBXOGQ-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000475220189 225131203 /nfs/dbraw/zinc/13/12/03/225131203.db2.gz NPHAYADHNAOGEO-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475220818 225130840 /nfs/dbraw/zinc/13/08/40/225130840.db2.gz UPAKEDMWYJQCSM-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475220819 225130504 /nfs/dbraw/zinc/13/05/04/225130504.db2.gz UPAKEDMWYJQCSM-MNOVXSKESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475220820 225131155 /nfs/dbraw/zinc/13/11/55/225131155.db2.gz UPAKEDMWYJQCSM-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475220821 225131002 /nfs/dbraw/zinc/13/10/02/225131002.db2.gz UPAKEDMWYJQCSM-WDEREUQCSA-N 1 0 245.357 3.836 20 0 BHADRO COC1CCC(C)(C[NH2+][C@@H](C)CC(C)C)CC1 ZINC000475221226 225130222 /nfs/dbraw/zinc/13/02/22/225130222.db2.gz UOXIIZDLUWUCPT-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(C)(C[NH2+][C@H](C)CC(C)C)CC1 ZINC000475221227 225130908 /nfs/dbraw/zinc/13/09/08/225130908.db2.gz UOXIIZDLUWUCPT-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCC1(C)CC1 ZINC000475223066 225130327 /nfs/dbraw/zinc/13/03/27/225130327.db2.gz FNWNLFCNFSSVII-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC1(C)CC1 ZINC000475223067 533656097 /nfs/dbraw/zinc/65/60/97/533656097.db2.gz FNWNLFCNFSSVII-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC1(C)CC1 ZINC000475224713 527506230 /nfs/dbraw/zinc/50/62/30/527506230.db2.gz QOBHEMAEHVYPLM-OWBHPGMISA-N 1 0 229.367 3.870 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC1(C)CC1 ZINC000475224714 527534863 /nfs/dbraw/zinc/53/48/63/527534863.db2.gz QOBHEMAEHVYPLM-WYMLVPIESA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1cccc(C)n1 ZINC000475270756 538774186 /nfs/dbraw/zinc/77/41/86/538774186.db2.gz UPBYYYQPEQFBNN-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000475270757 538774415 /nfs/dbraw/zinc/77/44/15/538774415.db2.gz UPBYYYQPEQFBNN-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000475270758 538774229 /nfs/dbraw/zinc/77/42/29/538774229.db2.gz UPBYYYQPEQFBNN-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000475270759 538774075 /nfs/dbraw/zinc/77/40/75/538774075.db2.gz UPBYYYQPEQFBNN-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000475274463 528753944 /nfs/dbraw/zinc/75/39/44/528753944.db2.gz CFZDOVCBKZUTMQ-GXSJLCMTSA-N 1 0 237.309 3.695 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475274464 528753984 /nfs/dbraw/zinc/75/39/84/528753984.db2.gz CFZDOVCBKZUTMQ-KOLCDFICSA-N 1 0 237.309 3.695 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000475274465 528754429 /nfs/dbraw/zinc/75/44/29/528754429.db2.gz CFZDOVCBKZUTMQ-MWLCHTKSSA-N 1 0 237.309 3.695 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475274466 528754573 /nfs/dbraw/zinc/75/45/73/528754573.db2.gz CFZDOVCBKZUTMQ-ONGXEEELSA-N 1 0 237.309 3.695 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475282929 528031716 /nfs/dbraw/zinc/03/17/16/528031716.db2.gz VGAGVOOABRNBJN-AXFHLTTASA-N 1 0 237.309 3.695 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475282931 528031886 /nfs/dbraw/zinc/03/18/86/528031886.db2.gz VGAGVOOABRNBJN-DCAQKATOSA-N 1 0 237.309 3.695 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000475283330 528032812 /nfs/dbraw/zinc/03/28/12/528032812.db2.gz VGAGVOOABRNBJN-GARJFASQSA-N 1 0 237.309 3.695 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000475283331 528032913 /nfs/dbraw/zinc/03/29/13/528032913.db2.gz VGAGVOOABRNBJN-HBNTYKKESA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000475283887 225131183 /nfs/dbraw/zinc/13/11/83/225131183.db2.gz XJCMIULKJNJNHU-GRYCIOLGSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000475283888 225130178 /nfs/dbraw/zinc/13/01/78/225130178.db2.gz XJCMIULKJNJNHU-IJLUTSLNSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000475283889 534228609 /nfs/dbraw/zinc/22/86/09/534228609.db2.gz XJCMIULKJNJNHU-UTUOFQBUSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000475283890 534228180 /nfs/dbraw/zinc/22/81/80/534228180.db2.gz XJCMIULKJNJNHU-WOPDTQHZSA-N 1 0 247.304 3.615 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCCOC(C)(C)C ZINC000475307414 529254023 /nfs/dbraw/zinc/25/40/23/529254023.db2.gz CKHIAJWCUCJWAZ-KBPBESRZSA-N 1 0 241.419 3.845 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCCOC(C)(C)C ZINC000475307415 529249600 /nfs/dbraw/zinc/24/96/00/529249600.db2.gz CKHIAJWCUCJWAZ-KGLIPLIRSA-N 1 0 241.419 3.845 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCCOC(C)(C)C ZINC000475307416 529343452 /nfs/dbraw/zinc/34/34/52/529343452.db2.gz CKHIAJWCUCJWAZ-UONOGXRCSA-N 1 0 241.419 3.845 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCCOC(C)(C)C ZINC000475307417 529337442 /nfs/dbraw/zinc/33/74/42/529337442.db2.gz CKHIAJWCUCJWAZ-ZIAGYGMSSA-N 1 0 241.419 3.845 20 0 BHADRO C[C@@H](O)CCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000475308281 225132542 /nfs/dbraw/zinc/13/25/42/225132542.db2.gz NKBAGPACPGSCRG-CYBMUJFWSA-N 1 0 243.435 3.542 20 0 BHADRO C[C@H](O)CCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000475308282 534052057 /nfs/dbraw/zinc/05/20/57/534052057.db2.gz NKBAGPACPGSCRG-ZDUSSCGKSA-N 1 0 243.435 3.542 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCCCOC(C)(C)C ZINC000475316890 225131641 /nfs/dbraw/zinc/13/16/41/225131641.db2.gz MWWWXNXXPPHIMS-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCCOC(C)(C)C ZINC000475316891 225132024 /nfs/dbraw/zinc/13/20/24/225132024.db2.gz MWWWXNXXPPHIMS-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000475316892 225132122 /nfs/dbraw/zinc/13/21/22/225132122.db2.gz MWWWXNXXPPHIMS-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000475316893 533616339 /nfs/dbraw/zinc/61/63/39/533616339.db2.gz MWWWXNXXPPHIMS-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCCCOC(C)(C)C)c1ccccc1 ZINC000475318034 533845106 /nfs/dbraw/zinc/84/51/06/533845106.db2.gz HQIDQIZBGOZHEF-AWEZNQCLSA-N 1 0 249.398 3.933 20 0 BHADRO C[C@@H]([NH2+]CCCCOC(C)(C)C)c1ccccc1 ZINC000475318036 533378388 /nfs/dbraw/zinc/37/83/88/533378388.db2.gz HQIDQIZBGOZHEF-CQSZACIVSA-N 1 0 249.398 3.933 20 0 BHADRO C[C@H]1CCCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475318627 225132419 /nfs/dbraw/zinc/13/24/19/225132419.db2.gz QROPNSOFLZJEAH-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H]1CCCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000475318628 534154962 /nfs/dbraw/zinc/15/49/62/534154962.db2.gz QROPNSOFLZJEAH-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCCOC(C)(C)C ZINC000475321560 529337211 /nfs/dbraw/zinc/33/72/11/529337211.db2.gz UHBFDZVRAVQDGJ-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCCOC(C)(C)C ZINC000475321565 529341502 /nfs/dbraw/zinc/34/15/02/529341502.db2.gz UHBFDZVRAVQDGJ-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCCOC(C)(C)C ZINC000475321566 529477730 /nfs/dbraw/zinc/47/77/30/529477730.db2.gz UHBFDZVRAVQDGJ-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCCOC(C)(C)C ZINC000475321568 529483316 /nfs/dbraw/zinc/48/33/16/529483316.db2.gz UHBFDZVRAVQDGJ-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC(C)(C)C)C(C)(C)C ZINC000475323337 529160480 /nfs/dbraw/zinc/16/04/80/529160480.db2.gz XNFNFSKDGNNEEF-CYBMUJFWSA-N 1 0 243.435 3.996 20 0 BHADRO CC[C@H]([NH2+]CCCCOC(C)(C)C)C(C)(C)C ZINC000475323338 529596558 /nfs/dbraw/zinc/59/65/58/529596558.db2.gz XNFNFSKDGNNEEF-ZDUSSCGKSA-N 1 0 243.435 3.996 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C1CCC1 ZINC000475327137 528992987 /nfs/dbraw/zinc/99/29/87/528992987.db2.gz ATXUDJOVYZAIQX-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C1CCC1 ZINC000475327138 528993608 /nfs/dbraw/zinc/99/36/08/528993608.db2.gz ATXUDJOVYZAIQX-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CCC1 ZINC000475327139 528991841 /nfs/dbraw/zinc/99/18/41/528991841.db2.gz ATXUDJOVYZAIQX-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CCC1 ZINC000475327140 528993636 /nfs/dbraw/zinc/99/36/36/528993636.db2.gz ATXUDJOVYZAIQX-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CC[N@H+](CCCCOC(C)(C)C)CCC1CC1 ZINC000475330469 528432173 /nfs/dbraw/zinc/43/21/73/528432173.db2.gz DRQSJRUGIJDYIT-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO Fc1ccc([C@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000475335008 225133691 /nfs/dbraw/zinc/13/36/91/225133691.db2.gz QCOBHJMXNJLXBD-BBRMVZONSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000475335009 534491217 /nfs/dbraw/zinc/49/12/17/534491217.db2.gz QCOBHJMXNJLXBD-CJNGLKHVSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000475335010 534490349 /nfs/dbraw/zinc/49/03/49/534490349.db2.gz QCOBHJMXNJLXBD-CZUORRHYSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccc([C@H]2CC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000475335011 225133716 /nfs/dbraw/zinc/13/37/16/225133716.db2.gz QCOBHJMXNJLXBD-XJKSGUPXSA-N 1 0 247.357 3.994 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000475337174 528538036 /nfs/dbraw/zinc/53/80/36/528538036.db2.gz PYHXEMUTUUXCQU-UHFFFAOYSA-N 1 0 248.345 3.927 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000475337254 528538786 /nfs/dbraw/zinc/53/87/86/528538786.db2.gz PTWFRGTYJLFAMU-UHFFFAOYSA-N 1 0 248.345 3.927 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000475338928 225133593 /nfs/dbraw/zinc/13/35/93/225133593.db2.gz ZCUCMMLHEZJGEZ-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000475338930 225133464 /nfs/dbraw/zinc/13/34/64/225133464.db2.gz ZCUCMMLHEZJGEZ-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000475338932 225133392 /nfs/dbraw/zinc/13/33/92/225133392.db2.gz ZCUCMMLHEZJGEZ-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000475338933 225133441 /nfs/dbraw/zinc/13/34/41/225133441.db2.gz ZCUCMMLHEZJGEZ-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000475342797 225134573 /nfs/dbraw/zinc/13/45/73/225134573.db2.gz NZDMYUPDMWIHED-HZUKXOBISA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000475342798 534011247 /nfs/dbraw/zinc/01/12/47/534011247.db2.gz NZDMYUPDMWIHED-PEYYIBSZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000475342799 534014199 /nfs/dbraw/zinc/01/41/99/534014199.db2.gz NZDMYUPDMWIHED-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000475342800 225134934 /nfs/dbraw/zinc/13/49/34/225134934.db2.gz NZDMYUPDMWIHED-SGIREYDYSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475344985 533728841 /nfs/dbraw/zinc/72/88/41/533728841.db2.gz FXFGQYYQONDXDH-MEWXFMAXSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475344986 533729097 /nfs/dbraw/zinc/72/90/97/533729097.db2.gz FXFGQYYQONDXDH-UJDVCPFMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475344987 533728186 /nfs/dbraw/zinc/72/81/86/533728186.db2.gz FXFGQYYQONDXDH-UZMCECQYSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475344988 533728041 /nfs/dbraw/zinc/72/80/41/533728041.db2.gz FXFGQYYQONDXDH-XKVFNRALSA-N 1 0 247.357 3.707 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475347921 528163458 /nfs/dbraw/zinc/16/34/58/528163458.db2.gz SJVGRKPWACTXEF-LQGZMJJRSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475347922 528164197 /nfs/dbraw/zinc/16/41/97/528164197.db2.gz SJVGRKPWACTXEF-QXEJQSKISA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475347924 528164356 /nfs/dbraw/zinc/16/43/56/528164356.db2.gz SJVGRKPWACTXEF-RDTMFVDZSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475347925 528163328 /nfs/dbraw/zinc/16/33/28/528163328.db2.gz SJVGRKPWACTXEF-UNZMLCSCSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475350464 528067347 /nfs/dbraw/zinc/06/73/47/528067347.db2.gz POEXKSIZOXCCSE-DZGCQCFKSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475350466 528067633 /nfs/dbraw/zinc/06/76/33/528067633.db2.gz POEXKSIZOXCCSE-HIFRSBDPSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475350468 528067880 /nfs/dbraw/zinc/06/78/80/528067880.db2.gz POEXKSIZOXCCSE-UKRRQHHQSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475350470 528067353 /nfs/dbraw/zinc/06/73/53/528067353.db2.gz POEXKSIZOXCCSE-ZFWWWQNUSA-N 1 0 235.346 3.707 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000475360302 528538471 /nfs/dbraw/zinc/53/84/71/528538471.db2.gz HTKJPTKIDIMLNL-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000475364542 528163406 /nfs/dbraw/zinc/16/34/06/528163406.db2.gz DNRPGOZFPMZJLB-AWEZNQCLSA-N 1 0 249.398 3.748 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000475364544 528164533 /nfs/dbraw/zinc/16/45/33/528164533.db2.gz DNRPGOZFPMZJLB-CQSZACIVSA-N 1 0 249.398 3.748 20 0 BHADRO Clc1cccc(C2=CC[N@H+](CC3CC3)CC2)c1 ZINC000475430292 534641441 /nfs/dbraw/zinc/64/14/41/534641441.db2.gz SKWGOSWRDDNILS-UHFFFAOYSA-N 1 0 247.769 3.839 20 0 BHADRO COC1(C[NH2+]C2CCCCC2)CCC(C)CC1 ZINC000475430654 225136682 /nfs/dbraw/zinc/13/66/82/225136682.db2.gz YBJQJAKKEPMQAW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COCCC1([NH2+]CC2CCCCCC2)CCC1 ZINC000475484117 533220161 /nfs/dbraw/zinc/22/01/61/533220161.db2.gz CKXIZBDJEREUNL-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO COCCC1([NH2+]CCC2CCCCC2)CCC1 ZINC000475487288 533220023 /nfs/dbraw/zinc/22/00/23/533220023.db2.gz PHIJLXZKRYXTIK-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC[N@@H+](Cc1cc(C)ccc1OC)CC1CCC1 ZINC000475544317 528766746 /nfs/dbraw/zinc/76/67/46/528766746.db2.gz AVTGJLLAGHTQAN-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCOc1ccc(C[N@H+](CC)CC2CCC2)cc1 ZINC000475546647 528432326 /nfs/dbraw/zinc/43/23/26/528432326.db2.gz HNFCZBKYRKTXNA-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)[C@H]1CCC(C)(C)C1 ZINC000475546862 529985612 /nfs/dbraw/zinc/98/56/12/529985612.db2.gz GFCQWAQGYXKNTL-JTQLQIEISA-N 1 0 241.762 3.944 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)[C@@H]1CCC(C)(C)C1 ZINC000475546871 529985886 /nfs/dbraw/zinc/98/58/86/529985886.db2.gz GFCQWAQGYXKNTL-SNVBAGLBSA-N 1 0 241.762 3.944 20 0 BHADRO CC(C)(C)CC[NH2+]CCCc1ccccc1F ZINC000475547748 527670084 /nfs/dbraw/zinc/67/00/84/527670084.db2.gz HZUYDGZQBQXDOV-UHFFFAOYSA-N 1 0 237.362 3.784 20 0 BHADRO Fc1ccccc1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000475552422 225137164 /nfs/dbraw/zinc/13/71/64/225137164.db2.gz MNVRBMGIBRFAFN-AWEZNQCLSA-N 1 0 247.357 3.704 20 0 BHADRO Fc1ccccc1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000475552423 225137996 /nfs/dbraw/zinc/13/79/96/225137996.db2.gz MNVRBMGIBRFAFN-CQSZACIVSA-N 1 0 247.357 3.704 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000475555259 225137768 /nfs/dbraw/zinc/13/77/68/225137768.db2.gz PYNUXFYJSGVDTN-OHFALNGGSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000475555260 225137105 /nfs/dbraw/zinc/13/71/05/225137105.db2.gz PYNUXFYJSGVDTN-WTTBNOFXSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000475555261 225138124 /nfs/dbraw/zinc/13/81/24/225138124.db2.gz PYNUXFYJSGVDTN-YALNPMBYSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000475555262 225137554 /nfs/dbraw/zinc/13/75/54/225137554.db2.gz PYNUXFYJSGVDTN-YQFWSFKMSA-N 1 0 243.394 3.816 20 0 BHADRO CC(C)C1CC([NH2+]CCCc2ccccc2F)C1 ZINC000475556141 527627035 /nfs/dbraw/zinc/62/70/35/527627035.db2.gz OKXMVGKHPPZQMI-UHFFFAOYSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)C1CCC1 ZINC000475556403 533391346 /nfs/dbraw/zinc/39/13/46/533391346.db2.gz QIHYNYAKVHKKJF-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)C1CCC1 ZINC000475556404 225137934 /nfs/dbraw/zinc/13/79/34/225137934.db2.gz QIHYNYAKVHKKJF-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO Fc1cccc([C@H]2CC[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000475556740 225139054 /nfs/dbraw/zinc/13/90/54/225139054.db2.gz WVPFKEGAXSLGBL-BBRMVZONSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000475556742 225138735 /nfs/dbraw/zinc/13/87/35/225138735.db2.gz WVPFKEGAXSLGBL-CJNGLKHVSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CCCC3)C2)c1 ZINC000475556743 225139546 /nfs/dbraw/zinc/13/95/46/225139546.db2.gz WVPFKEGAXSLGBL-CZUORRHYSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1cccc([C@H]2CC[C@@H]([NH2+]C3CCCC3)C2)c1 ZINC000475556745 225138778 /nfs/dbraw/zinc/13/87/78/225138778.db2.gz WVPFKEGAXSLGBL-XJKSGUPXSA-N 1 0 247.357 3.994 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475556889 529393638 /nfs/dbraw/zinc/39/36/38/529393638.db2.gz XGBCELCCYKVHGB-CHWSQXEVSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475556890 529413546 /nfs/dbraw/zinc/41/35/46/529413546.db2.gz XGBCELCCYKVHGB-OLZOCXBDSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475556892 529206327 /nfs/dbraw/zinc/20/63/27/529206327.db2.gz XGBCELCCYKVHGB-QWHCGFSZSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475556893 529241970 /nfs/dbraw/zinc/24/19/70/529241970.db2.gz XGBCELCCYKVHGB-STQMWFEESA-N 1 0 237.362 3.783 20 0 BHADRO CC1(C)CC([NH2+]CCCc2ccccc2F)C1 ZINC000475558271 528888893 /nfs/dbraw/zinc/88/88/93/528888893.db2.gz IMMOMAAUSYPJTN-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475559394 528268697 /nfs/dbraw/zinc/26/86/97/528268697.db2.gz DAVWFOIBQSUNAW-CYBMUJFWSA-N 1 0 237.362 3.783 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475559395 528473766 /nfs/dbraw/zinc/47/37/66/528473766.db2.gz DAVWFOIBQSUNAW-ZDUSSCGKSA-N 1 0 237.362 3.783 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CCCc1ccccc1F ZINC000475562179 533826175 /nfs/dbraw/zinc/82/61/75/533826175.db2.gz CBZKMJKRPNVDBO-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CCCc1ccccc1F ZINC000475562180 225138560 /nfs/dbraw/zinc/13/85/60/225138560.db2.gz CBZKMJKRPNVDBO-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CCCc1ccccc1F ZINC000475562676 533766384 /nfs/dbraw/zinc/76/63/84/533766384.db2.gz ORGNMIFJAGCKBW-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CCCc1ccccc1F ZINC000475562677 533504736 /nfs/dbraw/zinc/50/47/36/533504736.db2.gz ORGNMIFJAGCKBW-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000475563313 533791418 /nfs/dbraw/zinc/79/14/18/533791418.db2.gz IUJRYKLWDILTCT-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000475563314 533894142 /nfs/dbraw/zinc/89/41/42/533894142.db2.gz IUJRYKLWDILTCT-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000475563315 225137591 /nfs/dbraw/zinc/13/75/91/225137591.db2.gz IUJRYKLWDILTCT-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000475563316 534180005 /nfs/dbraw/zinc/18/00/05/534180005.db2.gz IUJRYKLWDILTCT-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000475565522 225138847 /nfs/dbraw/zinc/13/88/47/225138847.db2.gz QBQNPVKGRSMTLH-HZUKXOBISA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000475565523 534010986 /nfs/dbraw/zinc/01/09/86/534010986.db2.gz QBQNPVKGRSMTLH-PEYYIBSZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000475565524 534013007 /nfs/dbraw/zinc/01/30/07/534013007.db2.gz QBQNPVKGRSMTLH-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000475565525 225138524 /nfs/dbraw/zinc/13/85/24/225138524.db2.gz QBQNPVKGRSMTLH-SGIREYDYSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000475567819 533714516 /nfs/dbraw/zinc/71/45/16/533714516.db2.gz YUJNXPWPXNEJQK-GXTWGEPZSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000475567821 533764908 /nfs/dbraw/zinc/76/49/08/533764908.db2.gz YUJNXPWPXNEJQK-JSGCOSHPSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000475567822 534256425 /nfs/dbraw/zinc/25/64/25/534256425.db2.gz YUJNXPWPXNEJQK-OCCSQVGLSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000475567824 225138506 /nfs/dbraw/zinc/13/85/06/225138506.db2.gz YUJNXPWPXNEJQK-TZMCWYRMSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475568444 528067773 /nfs/dbraw/zinc/06/77/73/528067773.db2.gz ARYNMKUXPABQDP-DZGCQCFKSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475568446 528067476 /nfs/dbraw/zinc/06/74/76/528067476.db2.gz ARYNMKUXPABQDP-HIFRSBDPSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475568447 528067129 /nfs/dbraw/zinc/06/71/29/528067129.db2.gz ARYNMKUXPABQDP-UKRRQHHQSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475568449 528067979 /nfs/dbraw/zinc/06/79/79/528067979.db2.gz ARYNMKUXPABQDP-ZFWWWQNUSA-N 1 0 235.346 3.707 20 0 BHADRO Fc1ccccc1CCC[NH2+]Cc1ccccc1 ZINC000475569508 225139568 /nfs/dbraw/zinc/13/95/68/225139568.db2.gz CQQKVLFIGRSLIJ-UHFFFAOYSA-N 1 0 243.325 3.548 20 0 BHADRO CC[N@@H+](Cc1ccc(C)c(OC)c1)CC1CCC1 ZINC000475569619 528777259 /nfs/dbraw/zinc/77/72/59/528777259.db2.gz AUWHWBNKRUHZND-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CCC1 ZINC000475569645 528685427 /nfs/dbraw/zinc/68/54/27/528685427.db2.gz AWXMUJNBHOAOSM-DLBZAZTESA-N 1 0 243.394 3.912 20 0 BHADRO CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CCC1 ZINC000475569647 528756553 /nfs/dbraw/zinc/75/65/53/528756553.db2.gz AWXMUJNBHOAOSM-IAGOWNOFSA-N 1 0 243.394 3.912 20 0 BHADRO CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CCC1 ZINC000475569649 528757003 /nfs/dbraw/zinc/75/70/03/528757003.db2.gz AWXMUJNBHOAOSM-SJORKVTESA-N 1 0 243.394 3.912 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475570359 533727604 /nfs/dbraw/zinc/72/76/04/533727604.db2.gz ITPUVUAGCOADBU-MEWXFMAXSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475570360 533730295 /nfs/dbraw/zinc/73/02/95/533730295.db2.gz ITPUVUAGCOADBU-UJDVCPFMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475570362 533729272 /nfs/dbraw/zinc/72/92/72/533729272.db2.gz ITPUVUAGCOADBU-UZMCECQYSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475570365 533729133 /nfs/dbraw/zinc/72/91/33/533729133.db2.gz ITPUVUAGCOADBU-XKVFNRALSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccccc1F)C(C)C ZINC000475571507 529600099 /nfs/dbraw/zinc/60/00/99/529600099.db2.gz VNKQRXBGOHOXJJ-HNNXBMFYSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccccc1F)C(C)C ZINC000475571508 529163216 /nfs/dbraw/zinc/16/32/16/529163216.db2.gz VNKQRXBGOHOXJJ-OAHLLOKOSA-N 1 0 237.362 3.783 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475573986 528163725 /nfs/dbraw/zinc/16/37/25/528163725.db2.gz UXEGRGYQKCCJSP-LQGZMJJRSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475573987 528163446 /nfs/dbraw/zinc/16/34/46/528163446.db2.gz UXEGRGYQKCCJSP-QXEJQSKISA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475573988 528163587 /nfs/dbraw/zinc/16/35/87/528163587.db2.gz UXEGRGYQKCCJSP-RDTMFVDZSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475573989 528163722 /nfs/dbraw/zinc/16/37/22/528163722.db2.gz UXEGRGYQKCCJSP-UNZMLCSCSA-N 1 0 247.357 3.850 20 0 BHADRO CCOc1cccc(C[N@H+](CC)CC2CCC2)c1 ZINC000475575211 528643886 /nfs/dbraw/zinc/64/38/86/528643886.db2.gz QMSBZLPISHHGOL-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Fc1ccccc1CCC[NH2+]Cc1ccsc1 ZINC000475576028 225138556 /nfs/dbraw/zinc/13/85/56/225138556.db2.gz RKDOPCLZABTHSK-UHFFFAOYSA-N 1 0 249.354 3.610 20 0 BHADRO Cc1ccncc1C[N@H+](C)CC1CCCCCC1 ZINC000475576475 225139225 /nfs/dbraw/zinc/13/92/25/225139225.db2.gz XAWQTTUJWRZYJX-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[N@@H+](Cc1ccc(OC)c(C)c1)CC1CCC1 ZINC000475576916 528788748 /nfs/dbraw/zinc/78/87/48/528788748.db2.gz BKUVTMQGNPMVAO-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@@H+](Cc1ccccc1C)CC1CCC1 ZINC000475577693 528835951 /nfs/dbraw/zinc/83/59/51/528835951.db2.gz GOWNLYSWHHFYIZ-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO Fc1ccccc1CCC[NH2+]Cc1cccs1 ZINC000475577711 225139369 /nfs/dbraw/zinc/13/93/69/225139369.db2.gz HBFZCGUNFAFVBD-UHFFFAOYSA-N 1 0 249.354 3.610 20 0 BHADRO Clc1cccc(C2CC[NH+](CC3CC3)CC2)c1 ZINC000475578080 534641008 /nfs/dbraw/zinc/64/10/08/534641008.db2.gz LNQRTWUXRNFZMN-UHFFFAOYSA-N 1 0 249.785 3.929 20 0 BHADRO CCOc1ccccc1C[N@H+](CC)CC1CCC1 ZINC000475578085 225139641 /nfs/dbraw/zinc/13/96/41/225139641.db2.gz LSFFJURJXCIVOI-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC[N@H+](C/C=C\c1ccccc1)CC1CCC1 ZINC000475578298 527871221 /nfs/dbraw/zinc/87/12/21/527871221.db2.gz OGTTUYRPMSTHCY-GHXNOFRVSA-N 1 0 229.367 3.822 20 0 BHADRO CC[N@H+](C/C=C/c1ccccc1)CC1CCC1 ZINC000475578299 527870960 /nfs/dbraw/zinc/87/09/60/527870960.db2.gz OGTTUYRPMSTHCY-KPKJPENVSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000475630026 526720794 /nfs/dbraw/zinc/72/07/94/526720794.db2.gz XDQBAQJMFOMOTB-AWEZNQCLSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000475630027 526652676 /nfs/dbraw/zinc/65/26/76/526652676.db2.gz XDQBAQJMFOMOTB-CQSZACIVSA-N 1 0 247.382 3.650 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000475630495 225138489 /nfs/dbraw/zinc/13/84/89/225138489.db2.gz GCYXLJOBGAFITF-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000475630496 225138436 /nfs/dbraw/zinc/13/84/36/225138436.db2.gz GCYXLJOBGAFITF-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccsc1C[N@H+](CC1CC1)C1CCC1 ZINC000475666410 534469633 /nfs/dbraw/zinc/46/96/33/534469633.db2.gz CGXKDIXUECQTIG-UHFFFAOYSA-N 1 0 235.396 3.821 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000475667012 528163709 /nfs/dbraw/zinc/16/37/09/528163709.db2.gz FEDRCPDABAGNOM-YAELXRHOSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccccc1 ZINC000475667044 225140767 /nfs/dbraw/zinc/14/07/67/225140767.db2.gz FOUQZTBKTAAYGC-DZGCQCFKSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccccc1 ZINC000475667045 225139983 /nfs/dbraw/zinc/13/99/83/225139983.db2.gz FOUQZTBKTAAYGC-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccccc1 ZINC000475667046 533512364 /nfs/dbraw/zinc/51/23/64/533512364.db2.gz FOUQZTBKTAAYGC-UKRRQHHQSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccccc1 ZINC000475667047 225140342 /nfs/dbraw/zinc/14/03/42/225140342.db2.gz FOUQZTBKTAAYGC-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO CCCOc1ccc(C(C)(C)[NH2+]CC2CC2)cc1 ZINC000475667497 528656069 /nfs/dbraw/zinc/65/60/69/528656069.db2.gz HKKPHIPOBPYDKA-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CCC(CC)C[N@H+](CC1CC1)C1CCC1 ZINC000475668281 386107875 /nfs/dbraw/zinc/10/78/75/386107875.db2.gz AACXXKWTGQFUEP-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO C(=C/c1ccccc1)\C[N@H+](CC1CC1)C1CCC1 ZINC000475669432 527467149 /nfs/dbraw/zinc/46/71/49/527467149.db2.gz DNNVPYQROLMMLL-VMPITWQZSA-N 1 0 241.378 3.964 20 0 BHADRO C(=C\c1ccccc1)\C[N@H+](CC1CC1)C1CCC1 ZINC000475669433 527470759 /nfs/dbraw/zinc/47/07/59/527470759.db2.gz DNNVPYQROLMMLL-YVMONPNESA-N 1 0 241.378 3.964 20 0 BHADRO Fc1ccccc1CC[N@H+](CC1CC1)C1CCC1 ZINC000475669473 225140555 /nfs/dbraw/zinc/14/05/55/225140555.db2.gz DZRHLQYQBZGYSX-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672025 533730488 /nfs/dbraw/zinc/73/04/88/533730488.db2.gz RFEAGSPGSZTAEV-BPGGGUHBSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672026 225139980 /nfs/dbraw/zinc/13/99/80/225139980.db2.gz RFEAGSPGSZTAEV-DNVSUFBTSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672027 225140913 /nfs/dbraw/zinc/14/09/13/225140913.db2.gz RFEAGSPGSZTAEV-IKVITTDRSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672028 225140320 /nfs/dbraw/zinc/14/03/20/225140320.db2.gz RFEAGSPGSZTAEV-NHULGOKLSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000475672074 533550126 /nfs/dbraw/zinc/55/01/26/533550126.db2.gz RMGKLOPOVSDEHK-WDBKCZKBSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000475672075 225140813 /nfs/dbraw/zinc/14/08/13/225140813.db2.gz RMGKLOPOVSDEHK-XEGUGMAKSA-N 1 0 249.785 3.974 20 0 BHADRO c1csc(C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000475676923 534518882 /nfs/dbraw/zinc/51/88/82/534518882.db2.gz KYMAREUTIWKAKW-UHFFFAOYSA-N 1 0 235.396 3.760 20 0 BHADRO Cc1ccccc1C[N@H+](CC1CC1)C1CCC1 ZINC000475677133 534811144 /nfs/dbraw/zinc/81/11/44/534811144.db2.gz DOULIJJKGDMVJQ-UHFFFAOYSA-N 1 0 229.367 3.760 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC1CC1)C1CCC1 ZINC000475678057 528876702 /nfs/dbraw/zinc/87/67/02/528876702.db2.gz HRXHAZVQASPUGA-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO CCC[C@H](C)C[N@H+](CC1CC1)C1CCC1 ZINC000475678058 528032245 /nfs/dbraw/zinc/03/22/45/528032245.db2.gz HRXHAZVQASPUGA-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC000475678479 533877417 /nfs/dbraw/zinc/87/74/17/533877417.db2.gz JOTGUFVPRJDDSN-UHFFFAOYSA-N 1 0 247.357 3.899 20 0 BHADRO CC(C)CCC[N@H+](CC1CC1)C1CCC1 ZINC000475679634 527703220 /nfs/dbraw/zinc/70/32/20/527703220.db2.gz MYDCOMONBNPVFY-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cccc(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000475680123 534705458 /nfs/dbraw/zinc/70/54/58/534705458.db2.gz OPSHHXJPOVZBAY-UHFFFAOYSA-N 1 0 229.367 3.760 20 0 BHADRO C1=CC[C@@H](C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000475680752 526417957 /nfs/dbraw/zinc/41/79/57/526417957.db2.gz RCUUKWISRHJYSZ-CYBMUJFWSA-N 1 0 219.372 3.607 20 0 BHADRO C1=CC[C@H](C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000475680757 526418613 /nfs/dbraw/zinc/41/86/13/526418613.db2.gz RCUUKWISRHJYSZ-ZDUSSCGKSA-N 1 0 219.372 3.607 20 0 BHADRO Cc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000475681284 533880887 /nfs/dbraw/zinc/88/08/87/533880887.db2.gz ULJVVVCQNYPPBQ-UHFFFAOYSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccc(F)cc1C[N@H+](CC1CC1)C1CCC1 ZINC000475681546 534157328 /nfs/dbraw/zinc/15/73/28/534157328.db2.gz WMHOJPDOUKRAMA-UHFFFAOYSA-N 1 0 247.357 3.899 20 0 BHADRO CC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475739274 527863940 /nfs/dbraw/zinc/86/39/40/527863940.db2.gz MAKGMPJTCXBHOS-GHMZBOCLSA-N 1 0 225.763 3.784 20 0 BHADRO CC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475739275 527861387 /nfs/dbraw/zinc/86/13/87/527861387.db2.gz MAKGMPJTCXBHOS-MNOVXSKESA-N 1 0 225.763 3.784 20 0 BHADRO CC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475739276 527861724 /nfs/dbraw/zinc/86/17/24/527861724.db2.gz MAKGMPJTCXBHOS-QWRGUYRKSA-N 1 0 225.763 3.784 20 0 BHADRO CC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475739277 527864070 /nfs/dbraw/zinc/86/40/70/527864070.db2.gz MAKGMPJTCXBHOS-WDEREUQCSA-N 1 0 225.763 3.784 20 0 BHADRO C[C@@H]1CCCCN(c2cc[nH+]c3ccccc32)C1 ZINC000475740219 534154741 /nfs/dbraw/zinc/15/47/41/534154741.db2.gz BGGTUHQUPUEZLI-CYBMUJFWSA-N 1 0 240.350 3.861 20 0 BHADRO C[C@H]1CCCCN(c2cc[nH+]c3ccccc32)C1 ZINC000475740220 225141488 /nfs/dbraw/zinc/14/14/88/225141488.db2.gz BGGTUHQUPUEZLI-ZDUSSCGKSA-N 1 0 240.350 3.861 20 0 BHADRO CC[NH+](CC)CCCSC1CCCCC1 ZINC000475969590 528114143 /nfs/dbraw/zinc/11/41/43/528114143.db2.gz UGUFTJVKPLZBCI-UHFFFAOYSA-N 1 0 229.433 3.784 20 0 BHADRO CC[NH+](CC)CCCSc1cccc(F)c1 ZINC000475981293 528113623 /nfs/dbraw/zinc/11/36/23/528113623.db2.gz ZJTPTGOQELXSRG-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO CCC(CC)SCCC[NH+](CC)CC ZINC000475992179 528807011 /nfs/dbraw/zinc/80/70/11/528807011.db2.gz URZDWYZIJGBFMN-UHFFFAOYSA-N 1 0 217.422 3.640 20 0 BHADRO CCC[C@@H](CC)SCC[NH+](CC)CC ZINC000477041730 528925181 /nfs/dbraw/zinc/92/51/81/528925181.db2.gz WEHYWUJSSSMWOB-GFCCVEGCSA-N 1 0 217.422 3.640 20 0 BHADRO CCC[C@H](CC)SCC[NH+](CC)CC ZINC000477041731 528109748 /nfs/dbraw/zinc/10/97/48/528109748.db2.gz WEHYWUJSSSMWOB-LBPRGKRZSA-N 1 0 217.422 3.640 20 0 BHADRO CCC[C@@H](CC)SCC[C@H]1CCC[N@@H+]1C ZINC000477046067 528925300 /nfs/dbraw/zinc/92/53/00/528925300.db2.gz USWWWQMFDPVROL-CHWSQXEVSA-N 1 0 229.433 3.783 20 0 BHADRO CCC[C@H](CC)SCC[C@H]1CCC[N@@H+]1C ZINC000477046096 528109824 /nfs/dbraw/zinc/10/98/24/528109824.db2.gz USWWWQMFDPVROL-OLZOCXBDSA-N 1 0 229.433 3.783 20 0 BHADRO CCC[C@@H](CC)SCC[C@@H]1CCC[N@@H+]1C ZINC000477046097 528925185 /nfs/dbraw/zinc/92/51/85/528925185.db2.gz USWWWQMFDPVROL-QWHCGFSZSA-N 1 0 229.433 3.783 20 0 BHADRO CCC[C@H](CC)SCC[C@@H]1CCC[N@@H+]1C ZINC000477046098 528109065 /nfs/dbraw/zinc/10/90/65/528109065.db2.gz USWWWQMFDPVROL-STQMWFEESA-N 1 0 229.433 3.783 20 0 BHADRO CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477052380 528262233 /nfs/dbraw/zinc/26/22/33/528262233.db2.gz VEQHOQVUUBVBDE-UHFFFAOYSA-N 1 0 241.334 3.715 20 0 BHADRO CCC[C@@H](CC)SCCC[NH+]1CCCC1 ZINC000477088830 528925406 /nfs/dbraw/zinc/92/54/06/528925406.db2.gz PJFVUJVPWZINCA-CYBMUJFWSA-N 1 0 229.433 3.784 20 0 BHADRO CCC[C@H](CC)SCCC[NH+]1CCCC1 ZINC000477088831 528109097 /nfs/dbraw/zinc/10/90/97/528109097.db2.gz PJFVUJVPWZINCA-ZDUSSCGKSA-N 1 0 229.433 3.784 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000477145027 528888979 /nfs/dbraw/zinc/88/89/79/528888979.db2.gz QRFTYKUIHICJCR-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000477145042 528047997 /nfs/dbraw/zinc/04/79/97/528047997.db2.gz QRFTYKUIHICJCR-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO CCCC[N@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC000477153561 528395228 /nfs/dbraw/zinc/39/52/28/528395228.db2.gz VKCMGJBSSSZQBA-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO CCC[NH+](CCC)Cc1ccn(C2CCCC2)n1 ZINC000477166781 528059860 /nfs/dbraw/zinc/05/98/60/528059860.db2.gz QLEVNZJIBUZABJ-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO CCC[C@H]([NH2+]Cc1c[nH]nc1C)C1CCCCC1 ZINC000477201567 528226386 /nfs/dbraw/zinc/22/63/86/528226386.db2.gz FWKSLEKZAROIKO-HNNXBMFYSA-N 1 0 249.402 3.557 20 0 BHADRO CCC[C@@H]([NH2+]Cc1c[nH]nc1C)C1CCCCC1 ZINC000477201571 529012746 /nfs/dbraw/zinc/01/27/46/529012746.db2.gz FWKSLEKZAROIKO-OAHLLOKOSA-N 1 0 249.402 3.557 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000477294994 527727122 /nfs/dbraw/zinc/72/71/22/527727122.db2.gz XZNFSGBTPRFSTD-HNNXBMFYSA-N 1 0 217.356 3.522 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000477294997 527727657 /nfs/dbraw/zinc/72/76/57/527727657.db2.gz XZNFSGBTPRFSTD-OAHLLOKOSA-N 1 0 217.356 3.522 20 0 BHADRO C[N@@H+](Cc1cccs1)CC1CCCCC1 ZINC000477344691 530009464 /nfs/dbraw/zinc/00/94/64/530009464.db2.gz ASQNNQDSMSPTNA-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO Cc1ccccc1OCCC[N@@H+]1CCCC1(C)C ZINC000477386551 225159740 /nfs/dbraw/zinc/15/97/40/225159740.db2.gz QNMFNEZWSYEQEY-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO c1ccc(CC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000477411937 225159275 /nfs/dbraw/zinc/15/92/75/225159275.db2.gz MEPGGAFVBXAIPE-UHFFFAOYSA-N 1 0 237.346 3.508 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000477412795 533667617 /nfs/dbraw/zinc/66/76/17/533667617.db2.gz LQSVNBPMGBHBDB-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO C[N@H+](Cc1ccc2c(c1)CCC2)C1CCCC1 ZINC000477414431 529991405 /nfs/dbraw/zinc/99/14/05/529991405.db2.gz OTSQAPVCKRBPRR-UHFFFAOYSA-N 1 0 229.367 3.550 20 0 BHADRO Cc1ccc(C)c(OCC[N@@H+]2CCCC2(C)C)c1 ZINC000477417204 225160001 /nfs/dbraw/zinc/16/00/01/225160001.db2.gz XTRRREJADBVFGL-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000477417816 528944047 /nfs/dbraw/zinc/94/40/47/528944047.db2.gz ZRXUOWBGXGKQIJ-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000477437157 528944303 /nfs/dbraw/zinc/94/43/03/528944303.db2.gz LAUXMMMDYQEMBU-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000477437594 528944706 /nfs/dbraw/zinc/94/47/06/528944706.db2.gz MDEOIRUGYCYTGL-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CCc1cccc(OCC[N@@H+]2CCCC2(C)C)c1 ZINC000477439402 529542848 /nfs/dbraw/zinc/54/28/48/529542848.db2.gz ZLTUJSWTRMZNDL-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000477439502 528944556 /nfs/dbraw/zinc/94/45/56/528944556.db2.gz OIPDORGPXYIKCU-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccccc1Cl ZINC000477440065 528943635 /nfs/dbraw/zinc/94/36/35/528943635.db2.gz QMMYPXLKOOEWPN-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCCC2(C)C)c1 ZINC000477441366 528223030 /nfs/dbraw/zinc/22/30/30/528223030.db2.gz UUBCJNDINIQADU-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477490851 528471838 /nfs/dbraw/zinc/47/18/38/528471838.db2.gz OGEHPGQWQQYJNZ-UHFFFAOYSA-N 1 0 243.272 3.694 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCCC1(C)C ZINC000477510618 528251383 /nfs/dbraw/zinc/25/13/83/528251383.db2.gz SUDCARKILMYPTG-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000477533206 528151296 /nfs/dbraw/zinc/15/12/96/528151296.db2.gz AZFCANKKPIGRJR-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC1(C)CCC[N@@H+]1CCc1ccccc1Cl ZINC000477541862 528943799 /nfs/dbraw/zinc/94/37/99/528943799.db2.gz MAMCNTRWABSPCG-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000477560912 528943957 /nfs/dbraw/zinc/94/39/57/528943957.db2.gz GCJRLUPMMRHOBS-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000477572398 225161150 /nfs/dbraw/zinc/16/11/50/225161150.db2.gz VUILWTCSBAKRQV-INIZCTEOSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000477572399 225161133 /nfs/dbraw/zinc/16/11/33/225161133.db2.gz VUILWTCSBAKRQV-MRXNPFEDSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000477573625 225161208 /nfs/dbraw/zinc/16/12/08/225161208.db2.gz ZARSZFFSNUXOCI-INIZCTEOSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000477573626 225161168 /nfs/dbraw/zinc/16/11/68/225161168.db2.gz ZARSZFFSNUXOCI-MRXNPFEDSA-N 1 0 229.367 3.760 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000477591939 527475075 /nfs/dbraw/zinc/47/50/75/527475075.db2.gz PXVDWBNHQVHPND-HNNXBMFYSA-N 1 0 221.388 3.831 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000477591951 527475725 /nfs/dbraw/zinc/47/57/25/527475725.db2.gz PXVDWBNHQVHPND-OAHLLOKOSA-N 1 0 221.388 3.831 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000477613353 533930372 /nfs/dbraw/zinc/93/03/72/533930372.db2.gz HORUUXWYLCIAPM-INIZCTEOSA-N 1 0 229.367 3.760 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000477613355 533927032 /nfs/dbraw/zinc/92/70/32/533927032.db2.gz HORUUXWYLCIAPM-MRXNPFEDSA-N 1 0 229.367 3.760 20 0 BHADRO CC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000477706925 529298864 /nfs/dbraw/zinc/29/88/64/529298864.db2.gz ZNSAOIXAIRHNKK-CYBMUJFWSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000477706938 529217338 /nfs/dbraw/zinc/21/73/38/529217338.db2.gz ZNSAOIXAIRHNKK-ZDUSSCGKSA-N 1 0 209.377 3.689 20 0 BHADRO Fc1ccc(C[C@@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000477731192 225161259 /nfs/dbraw/zinc/16/12/59/225161259.db2.gz ZOAPHGDFRSNOQO-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccc(C[C@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000477731193 225161558 /nfs/dbraw/zinc/16/15/58/225161558.db2.gz ZOAPHGDFRSNOQO-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO Cc1cc(NCc2cccc(C(C)C)c2)cc[nH+]1 ZINC000477731221 225161931 /nfs/dbraw/zinc/16/19/31/225161931.db2.gz MOFBXZRUBMZVLY-UHFFFAOYSA-N 1 0 240.350 3.547 20 0 BHADRO Fc1ccc(C[C@@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000477756654 225161217 /nfs/dbraw/zinc/16/12/17/225161217.db2.gz YFPSQIJHHDAZND-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccc(C[C@H]2CCC[N@@H+]2CC2CCC2)cc1 ZINC000477756655 225160675 /nfs/dbraw/zinc/16/06/75/225160675.db2.gz YFPSQIJHHDAZND-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477846771 527426599 /nfs/dbraw/zinc/42/65/99/527426599.db2.gz LABWJFVORMUPHH-KBPBESRZSA-N 1 0 241.419 3.506 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477846772 527418128 /nfs/dbraw/zinc/41/81/28/527418128.db2.gz LABWJFVORMUPHH-KGLIPLIRSA-N 1 0 241.419 3.506 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477851705 527706354 /nfs/dbraw/zinc/70/63/54/527706354.db2.gz DRZOVTMVRJIHBN-KBPBESRZSA-N 1 0 243.435 3.586 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477852052 527705678 /nfs/dbraw/zinc/70/56/78/527705678.db2.gz DRZOVTMVRJIHBN-KGLIPLIRSA-N 1 0 243.435 3.586 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477860630 528077046 /nfs/dbraw/zinc/07/70/46/528077046.db2.gz MRUYDGKZGSPUKS-IHRRRGAJSA-N 1 0 243.435 3.586 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477860632 528901876 /nfs/dbraw/zinc/90/18/76/528901876.db2.gz MRUYDGKZGSPUKS-MCIONIFRSA-N 1 0 243.435 3.586 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477860635 528069707 /nfs/dbraw/zinc/06/97/07/528069707.db2.gz MRUYDGKZGSPUKS-MJBXVCDLSA-N 1 0 243.435 3.586 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477860638 528904951 /nfs/dbraw/zinc/90/49/51/528904951.db2.gz MRUYDGKZGSPUKS-RDBSUJKOSA-N 1 0 243.435 3.586 20 0 BHADRO C1=C[C@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCC1 ZINC000477864396 526420254 /nfs/dbraw/zinc/42/02/54/526420254.db2.gz QEHFOJWKJLHSEW-HNNXBMFYSA-N 1 0 249.398 3.520 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCC1 ZINC000477864399 526419382 /nfs/dbraw/zinc/41/93/82/526419382.db2.gz QEHFOJWKJLHSEW-OAHLLOKOSA-N 1 0 249.398 3.520 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477864560 529683536 /nfs/dbraw/zinc/68/35/36/529683536.db2.gz PVTCRGKJOCZJAW-IHRRRGAJSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477864561 529335539 /nfs/dbraw/zinc/33/55/39/529335539.db2.gz PVTCRGKJOCZJAW-MCIONIFRSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477864562 529418712 /nfs/dbraw/zinc/41/87/12/529418712.db2.gz PVTCRGKJOCZJAW-MJBXVCDLSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477864563 529337174 /nfs/dbraw/zinc/33/71/74/529337174.db2.gz PVTCRGKJOCZJAW-RDBSUJKOSA-N 1 0 243.435 3.586 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477931754 528899125 /nfs/dbraw/zinc/89/91/25/528899125.db2.gz OFTMSQGPIWLEEQ-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477931755 528064718 /nfs/dbraw/zinc/06/47/18/528064718.db2.gz OFTMSQGPIWLEEQ-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477935325 528803550 /nfs/dbraw/zinc/80/35/50/528803550.db2.gz JGOHTWVPFZYIAE-GDBMZVCRSA-N 1 0 247.382 3.542 20 0 BHADRO C(C[N@@H+]1CCC12CCC2)C1CCCCC1 ZINC000478028776 527480598 /nfs/dbraw/zinc/48/05/98/527480598.db2.gz UULOULFESDEDEV-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO CCCCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000478229024 528215788 /nfs/dbraw/zinc/21/57/88/528215788.db2.gz CZDLYYYQWIVQPC-UHFFFAOYSA-N 1 0 247.338 3.721 20 0 BHADRO CCC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000478242076 527870952 /nfs/dbraw/zinc/87/09/52/527870952.db2.gz XFEZQXCHWNAHPT-UHFFFAOYSA-N 1 0 238.762 3.670 20 0 BHADRO Cc1cc(N2CCC[C@H]2C2CCCCC2)cc[nH+]1 ZINC000478250213 225166192 /nfs/dbraw/zinc/16/61/92/225166192.db2.gz BPPPUHLIEXKBOY-INIZCTEOSA-N 1 0 244.382 3.939 20 0 BHADRO Cc1cc(N2CCC[C@@H]2C2CCCCC2)cc[nH+]1 ZINC000478250214 225166241 /nfs/dbraw/zinc/16/62/41/225166241.db2.gz BPPPUHLIEXKBOY-MRXNPFEDSA-N 1 0 244.382 3.939 20 0 BHADRO Fc1ccc(C2=CC[C@H]([NH2+]CC3CC3)CC2)cc1 ZINC000478252944 225166784 /nfs/dbraw/zinc/16/67/84/225166784.db2.gz HYGABTMBMRASOL-INIZCTEOSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(C2=CC[C@@H]([NH2+]CC3CC3)CC2)cc1 ZINC000478252957 225166345 /nfs/dbraw/zinc/16/63/45/225166345.db2.gz HYGABTMBMRASOL-MRXNPFEDSA-N 1 0 245.341 3.761 20 0 BHADRO Cc1cc(N2CCC[C@H]2CC(C)(C)C)cc[nH+]1 ZINC000478268941 225167269 /nfs/dbraw/zinc/16/72/69/225167269.db2.gz SUPDLFQJADXADT-AWEZNQCLSA-N 1 0 232.371 3.795 20 0 BHADRO Cc1cc(N2CCC[C@@H]2CC(C)(C)C)cc[nH+]1 ZINC000478268942 225167263 /nfs/dbraw/zinc/16/72/63/225167263.db2.gz SUPDLFQJADXADT-CQSZACIVSA-N 1 0 232.371 3.795 20 0 BHADRO Cc1cc(N2CCC3(CCCCC3)CC2)cc[nH+]1 ZINC000478282270 225167435 /nfs/dbraw/zinc/16/74/35/225167435.db2.gz OZUKICKKIAKEQX-UHFFFAOYSA-N 1 0 244.382 3.941 20 0 BHADRO Cc1cc(N(C)C[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000478287841 225168178 /nfs/dbraw/zinc/16/81/78/225168178.db2.gz UYMZRFZOBDFOBW-CYBMUJFWSA-N 1 0 240.350 3.630 20 0 BHADRO Cc1cc(N(C)C[C@H](C)c2ccccc2)cc[nH+]1 ZINC000478287842 225167620 /nfs/dbraw/zinc/16/76/20/225167620.db2.gz UYMZRFZOBDFOBW-ZDUSSCGKSA-N 1 0 240.350 3.630 20 0 BHADRO CCC[C@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000478295683 528166441 /nfs/dbraw/zinc/16/64/41/528166441.db2.gz ZDCBCITZVCLDJI-INIZCTEOSA-N 1 0 240.350 3.765 20 0 BHADRO CCC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000478295684 528966314 /nfs/dbraw/zinc/96/63/14/528966314.db2.gz ZDCBCITZVCLDJI-MRXNPFEDSA-N 1 0 240.350 3.765 20 0 BHADRO CCc1ccc(CN(C)c2cc[nH+]c(C)c2)cc1 ZINC000478296024 529637616 /nfs/dbraw/zinc/63/76/16/529637616.db2.gz BMBKCKGGNWKRBE-UHFFFAOYSA-N 1 0 240.350 3.589 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)C(F)(F)F ZINC000478412250 225167940 /nfs/dbraw/zinc/16/79/40/225167940.db2.gz OUAYRLYGYUBVSK-BDAKNGLRSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1F ZINC000478412251 533427118 /nfs/dbraw/zinc/42/71/18/533427118.db2.gz OUAYRLYGYUBVSK-DTWKUNHWSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C(F)(F)F ZINC000478412252 225167516 /nfs/dbraw/zinc/16/75/16/225167516.db2.gz OUAYRLYGYUBVSK-IUCAKERBSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccccc1F)C(F)(F)F ZINC000478412253 534126666 /nfs/dbraw/zinc/12/66/66/534126666.db2.gz OUAYRLYGYUBVSK-RKDXNWHRSA-N 1 0 249.251 3.675 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)c1 ZINC000478427334 225168183 /nfs/dbraw/zinc/16/81/83/225168183.db2.gz LRXMFYJJDIHEPS-GHMZBOCLSA-N 1 0 245.288 3.844 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)c1 ZINC000478427335 225168019 /nfs/dbraw/zinc/16/80/19/225168019.db2.gz LRXMFYJJDIHEPS-MNOVXSKESA-N 1 0 245.288 3.844 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)c1 ZINC000478427336 225168200 /nfs/dbraw/zinc/16/82/00/225168200.db2.gz LRXMFYJJDIHEPS-QWRGUYRKSA-N 1 0 245.288 3.844 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)c1 ZINC000478427340 225168034 /nfs/dbraw/zinc/16/80/34/225168034.db2.gz LRXMFYJJDIHEPS-WDEREUQCSA-N 1 0 245.288 3.844 20 0 BHADRO COCC[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000478431915 225167455 /nfs/dbraw/zinc/16/74/55/225167455.db2.gz TXRLVTRPZSSIIJ-CYBMUJFWSA-N 1 0 239.403 3.528 20 0 BHADRO COCC[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000478431916 225167670 /nfs/dbraw/zinc/16/76/70/225167670.db2.gz TXRLVTRPZSSIIJ-ZDUSSCGKSA-N 1 0 239.403 3.528 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435234 225167684 /nfs/dbraw/zinc/16/76/84/225167684.db2.gz LVNJXKSJPQDZKX-BDAKNGLRSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000478435235 533425720 /nfs/dbraw/zinc/42/57/20/533425720.db2.gz LVNJXKSJPQDZKX-DTWKUNHWSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435236 225168259 /nfs/dbraw/zinc/16/82/59/225168259.db2.gz LVNJXKSJPQDZKX-IUCAKERBSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435237 534126246 /nfs/dbraw/zinc/12/62/46/534126246.db2.gz LVNJXKSJPQDZKX-RKDXNWHRSA-N 1 0 249.251 3.675 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000478955050 529217955 /nfs/dbraw/zinc/21/79/55/529217955.db2.gz IAFPCODQGXLZJN-KBPBESRZSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000478955053 529217927 /nfs/dbraw/zinc/21/79/27/529217927.db2.gz IAFPCODQGXLZJN-KGLIPLIRSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000478955057 529299482 /nfs/dbraw/zinc/29/94/82/529299482.db2.gz IAFPCODQGXLZJN-UONOGXRCSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000478955060 529299250 /nfs/dbraw/zinc/29/92/50/529299250.db2.gz IAFPCODQGXLZJN-ZIAGYGMSSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@@H](SC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000479108021 529253158 /nfs/dbraw/zinc/25/31/58/529253158.db2.gz VTSIYODRKHQXAQ-GXTWGEPZSA-N 1 0 237.412 3.821 20 0 BHADRO CC[C@H](SC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000479108022 529176006 /nfs/dbraw/zinc/17/60/06/529176006.db2.gz VTSIYODRKHQXAQ-JSGCOSHPSA-N 1 0 237.412 3.821 20 0 BHADRO CC[C@H](SC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000479108023 529175701 /nfs/dbraw/zinc/17/57/01/529175701.db2.gz VTSIYODRKHQXAQ-OCCSQVGLSA-N 1 0 237.412 3.821 20 0 BHADRO CC[C@@H](SC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000479108024 529253150 /nfs/dbraw/zinc/25/31/50/529253150.db2.gz VTSIYODRKHQXAQ-TZMCWYRMSA-N 1 0 237.412 3.821 20 0 BHADRO C[C@H](CS[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000479195337 225177660 /nfs/dbraw/zinc/17/76/60/225177660.db2.gz OTIMMRCZNIUWPL-DOMZBBRYSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@H](CS[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000479195338 225178210 /nfs/dbraw/zinc/17/82/10/225178210.db2.gz OTIMMRCZNIUWPL-IUODEOHRSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@@H](CS[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000479195339 534193658 /nfs/dbraw/zinc/19/36/58/534193658.db2.gz OTIMMRCZNIUWPL-SWLSCSKDSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@@H](CS[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000479195340 534193148 /nfs/dbraw/zinc/19/31/48/534193148.db2.gz OTIMMRCZNIUWPL-WFASDCNBSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@H](CSc1ccc(F)c(Cl)c1)[NH+](C)C ZINC000479196033 225178672 /nfs/dbraw/zinc/17/86/72/225178672.db2.gz QXUXCXNVTYEVJD-MRVPVSSYSA-N 1 0 247.766 3.521 20 0 BHADRO C[C@@H](CSc1ccc(F)c(Cl)c1)[NH+](C)C ZINC000479196036 534195110 /nfs/dbraw/zinc/19/51/10/534195110.db2.gz QXUXCXNVTYEVJD-QMMMGPOBSA-N 1 0 247.766 3.521 20 0 BHADRO CCCC(CCC)SC[C@@H](C)[NH+](C)C ZINC000479228651 528001643 /nfs/dbraw/zinc/00/16/43/528001643.db2.gz VTGUDKHZMILRNN-LLVKDONJSA-N 1 0 217.422 3.639 20 0 BHADRO CCCC(CCC)SC[C@H](C)[NH+](C)C ZINC000479228654 528001551 /nfs/dbraw/zinc/00/15/51/528001551.db2.gz VTGUDKHZMILRNN-NSHDSACASA-N 1 0 217.422 3.639 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCC=C(C)C ZINC000479268269 529622103 /nfs/dbraw/zinc/62/21/03/529622103.db2.gz CXLHAWAMFAXZLY-CYBMUJFWSA-N 1 0 232.371 3.651 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCC=C(C)C ZINC000479268270 529622997 /nfs/dbraw/zinc/62/29/97/529622997.db2.gz CXLHAWAMFAXZLY-ZDUSSCGKSA-N 1 0 232.371 3.651 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+]CC=C(C)C ZINC000479269264 225179858 /nfs/dbraw/zinc/17/98/58/225179858.db2.gz JXIKVLGPRBVIDS-CYBMUJFWSA-N 1 0 249.423 3.895 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+]CC=C(C)C ZINC000479269265 225179497 /nfs/dbraw/zinc/17/94/97/225179497.db2.gz JXIKVLGPRBVIDS-ZDUSSCGKSA-N 1 0 249.423 3.895 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000479269531 527445506 /nfs/dbraw/zinc/44/55/06/527445506.db2.gz LGPWVAWACYWEJQ-ABAIWWIYSA-N 1 0 233.330 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000479269534 527446357 /nfs/dbraw/zinc/44/63/57/527446357.db2.gz LGPWVAWACYWEJQ-IAQYHMDHSA-N 1 0 233.330 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000479269536 527444860 /nfs/dbraw/zinc/44/48/60/527444860.db2.gz LGPWVAWACYWEJQ-NHYWBVRUSA-N 1 0 233.330 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000479269538 527446485 /nfs/dbraw/zinc/44/64/85/527446485.db2.gz LGPWVAWACYWEJQ-XHDPSFHLSA-N 1 0 233.330 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000479271169 527445018 /nfs/dbraw/zinc/44/50/18/527445018.db2.gz OXSOVNHSODWILV-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000479271180 527445434 /nfs/dbraw/zinc/44/54/34/527445434.db2.gz OXSOVNHSODWILV-ZDUSSCGKSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000479273976 527445487 /nfs/dbraw/zinc/44/54/87/527445487.db2.gz UESBIPVFIPESCW-CWRNSKLLSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000479273977 527444803 /nfs/dbraw/zinc/44/48/03/527444803.db2.gz UESBIPVFIPESCW-FVQBIDKESA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000479273978 527445164 /nfs/dbraw/zinc/44/51/64/527445164.db2.gz UESBIPVFIPESCW-NUEKZKHPSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000479273979 527445553 /nfs/dbraw/zinc/44/55/53/527445553.db2.gz UESBIPVFIPESCW-VNQPRFMTSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000479275569 527446096 /nfs/dbraw/zinc/44/60/96/527446096.db2.gz WJUGDBQUOQIXJQ-CVEARBPZSA-N 1 0 229.367 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000479275570 527446936 /nfs/dbraw/zinc/44/69/36/527446936.db2.gz WJUGDBQUOQIXJQ-HOTGVXAUSA-N 1 0 229.367 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000479275571 527444633 /nfs/dbraw/zinc/44/46/33/527444633.db2.gz WJUGDBQUOQIXJQ-HZPDHXFCSA-N 1 0 229.367 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000479275572 527445088 /nfs/dbraw/zinc/44/50/88/527445088.db2.gz WJUGDBQUOQIXJQ-JKSUJKDBSA-N 1 0 229.367 3.879 20 0 BHADRO CCC[C@H]([NH2+]CCC=C(C)C)c1ccccn1 ZINC000479276535 528217380 /nfs/dbraw/zinc/21/73/80/528217380.db2.gz XGOHSOMENUHESP-AWEZNQCLSA-N 1 0 232.371 3.869 20 0 BHADRO CCC[C@@H]([NH2+]CCC=C(C)C)c1ccccn1 ZINC000479276536 529007299 /nfs/dbraw/zinc/00/72/99/529007299.db2.gz XGOHSOMENUHESP-CQSZACIVSA-N 1 0 232.371 3.869 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2c1cccc2C ZINC000479278028 527408524 /nfs/dbraw/zinc/40/85/24/527408524.db2.gz COELWEMFAQGAQZ-INIZCTEOSA-N 1 0 229.367 3.928 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000479278032 527408659 /nfs/dbraw/zinc/40/86/59/527408659.db2.gz COELWEMFAQGAQZ-MRXNPFEDSA-N 1 0 229.367 3.928 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1ccccc1F ZINC000479278714 527444943 /nfs/dbraw/zinc/44/49/43/527444943.db2.gz FTAYXOYLDJVMAP-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000479278715 527445306 /nfs/dbraw/zinc/44/53/06/527445306.db2.gz FTAYXOYLDJVMAP-ZDUSSCGKSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000479280718 527407145 /nfs/dbraw/zinc/40/71/45/527407145.db2.gz GUWJCGBYHOBGTN-HNNXBMFYSA-N 1 0 231.383 3.872 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000479280719 527408365 /nfs/dbraw/zinc/40/83/65/527408365.db2.gz GUWJCGBYHOBGTN-OAHLLOKOSA-N 1 0 231.383 3.872 20 0 BHADRO CC(C)=CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000479285110 527445068 /nfs/dbraw/zinc/44/50/68/527445068.db2.gz JTNDJGGPXIRYTA-HNNXBMFYSA-N 1 0 233.355 3.985 20 0 BHADRO CC(C)=CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000479285112 527445186 /nfs/dbraw/zinc/44/51/86/527445186.db2.gz JTNDJGGPXIRYTA-OAHLLOKOSA-N 1 0 233.355 3.985 20 0 BHADRO CC(C)=CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000479286822 527408046 /nfs/dbraw/zinc/40/80/46/527408046.db2.gz RXVDYRVIRWAHCP-HNNXBMFYSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000479286824 527408396 /nfs/dbraw/zinc/40/83/96/527408396.db2.gz RXVDYRVIRWAHCP-OAHLLOKOSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000479291024 527444952 /nfs/dbraw/zinc/44/49/52/527444952.db2.gz YHFBMTCETGNKMA-CYBMUJFWSA-N 1 0 237.293 3.508 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000479291037 527446688 /nfs/dbraw/zinc/44/66/88/527446688.db2.gz YHFBMTCETGNKMA-ZDUSSCGKSA-N 1 0 237.293 3.508 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479292258 538837455 /nfs/dbraw/zinc/83/74/55/538837455.db2.gz AOUHJDWDEHCAHW-HNNXBMFYSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479292259 538837010 /nfs/dbraw/zinc/83/70/10/538837010.db2.gz AOUHJDWDEHCAHW-OAHLLOKOSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000479294764 527408150 /nfs/dbraw/zinc/40/81/50/527408150.db2.gz IFVAZGVCCJJKIJ-BBRMVZONSA-N 1 0 229.367 3.866 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000479294765 527408564 /nfs/dbraw/zinc/40/85/64/527408564.db2.gz IFVAZGVCCJJKIJ-CJNGLKHVSA-N 1 0 229.367 3.866 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000479294766 527408123 /nfs/dbraw/zinc/40/81/23/527408123.db2.gz IFVAZGVCCJJKIJ-CZUORRHYSA-N 1 0 229.367 3.866 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000479294767 527408025 /nfs/dbraw/zinc/40/80/25/527408025.db2.gz IFVAZGVCCJJKIJ-XJKSGUPXSA-N 1 0 229.367 3.866 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000479295579 527408129 /nfs/dbraw/zinc/40/81/29/527408129.db2.gz WTEJOHRRSFXDAB-KRWDZBQOSA-N 1 0 243.394 3.954 20 0 BHADRO CC(C)=CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000479295580 527408696 /nfs/dbraw/zinc/40/86/96/527408696.db2.gz WTEJOHRRSFXDAB-QGZVFWFLSA-N 1 0 243.394 3.954 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000479296116 527444822 /nfs/dbraw/zinc/44/48/22/527444822.db2.gz ZFXIBBAXRUGNQG-CYBMUJFWSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000479296117 527445130 /nfs/dbraw/zinc/44/51/30/527445130.db2.gz ZFXIBBAXRUGNQG-ZDUSSCGKSA-N 1 0 235.346 3.703 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000479296918 527408476 /nfs/dbraw/zinc/40/84/76/527408476.db2.gz SBQYRPZORZCOLW-AWEZNQCLSA-N 1 0 246.398 3.760 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000479296922 527408231 /nfs/dbraw/zinc/40/82/31/527408231.db2.gz SBQYRPZORZCOLW-CQSZACIVSA-N 1 0 246.398 3.760 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000479297236 527445517 /nfs/dbraw/zinc/44/55/17/527445517.db2.gz QRTZNVAHTCWHCZ-HNNXBMFYSA-N 1 0 231.383 3.872 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000479297237 527444813 /nfs/dbraw/zinc/44/48/13/527444813.db2.gz QRTZNVAHTCWHCZ-OAHLLOKOSA-N 1 0 231.383 3.872 20 0 BHADRO COc1cccc2c1CC[C@@H]2[NH2+]CCC=C(C)C ZINC000479297393 225180207 /nfs/dbraw/zinc/18/02/07/225180207.db2.gz ARQSJHWVMJWSHK-HNNXBMFYSA-N 1 0 245.366 3.628 20 0 BHADRO COc1cccc2c1CC[C@H]2[NH2+]CCC=C(C)C ZINC000479297395 225180251 /nfs/dbraw/zinc/18/02/51/225180251.db2.gz ARQSJHWVMJWSHK-OAHLLOKOSA-N 1 0 245.366 3.628 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000479299564 527408579 /nfs/dbraw/zinc/40/85/79/527408579.db2.gz JEIGLDZTVYBEPL-KBPBESRZSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000479299565 527408258 /nfs/dbraw/zinc/40/82/58/527408258.db2.gz JEIGLDZTVYBEPL-KGLIPLIRSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000479299566 527408452 /nfs/dbraw/zinc/40/84/52/527408452.db2.gz JEIGLDZTVYBEPL-UONOGXRCSA-N 1 0 239.403 3.524 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000479299567 527408437 /nfs/dbraw/zinc/40/84/37/527408437.db2.gz JEIGLDZTVYBEPL-ZIAGYGMSSA-N 1 0 239.403 3.524 20 0 BHADRO Cc1c[nH+]ccc1N1CCC(C(C)(C)C)CC1 ZINC000479316290 225181035 /nfs/dbraw/zinc/18/10/35/225181035.db2.gz JTWOTEIOMPWVHB-UHFFFAOYSA-N 1 0 232.371 3.653 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC1)c1cc(F)ccc1F ZINC000479337316 529120113 /nfs/dbraw/zinc/12/01/13/529120113.db2.gz QLHMUYJWWXYVAS-AWEZNQCLSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC1)c1cc(F)ccc1F ZINC000479337318 528584585 /nfs/dbraw/zinc/58/45/85/528584585.db2.gz QLHMUYJWWXYVAS-CQSZACIVSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000479345198 528067875 /nfs/dbraw/zinc/06/78/75/528067875.db2.gz MFNGYTGZAFLVGG-AWEZNQCLSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000479345207 528067095 /nfs/dbraw/zinc/06/70/95/528067095.db2.gz MFNGYTGZAFLVGG-CQSZACIVSA-N 1 0 241.325 3.908 20 0 BHADRO Cn1ccc(C[NH2+]CC(C)(C)C2=CCCCC2)c1 ZINC000479382750 534767882 /nfs/dbraw/zinc/76/78/82/534767882.db2.gz BVIRCWHMHBSEFB-UHFFFAOYSA-N 1 0 246.398 3.641 20 0 BHADRO CC(C)c1cccc(C[NH2+]Cc2ccco2)c1 ZINC000479386834 528170769 /nfs/dbraw/zinc/17/07/69/528170769.db2.gz DJJSCCMPFMOOCU-UHFFFAOYSA-N 1 0 229.323 3.693 20 0 BHADRO CC(C)(C[NH2+]Cc1cccnc1)C1=CCCCC1 ZINC000479394452 527171286 /nfs/dbraw/zinc/17/12/86/527171286.db2.gz ROLQIKGOVZWDNH-UHFFFAOYSA-N 1 0 244.382 3.698 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479397311 538839471 /nfs/dbraw/zinc/83/94/71/538839471.db2.gz SBYQBOQFKWXIEQ-ABAIWWIYSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479397313 538838869 /nfs/dbraw/zinc/83/88/69/538838869.db2.gz SBYQBOQFKWXIEQ-IAQYHMDHSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479397315 538839386 /nfs/dbraw/zinc/83/93/86/538839386.db2.gz SBYQBOQFKWXIEQ-NHYWBVRUSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479397318 538838928 /nfs/dbraw/zinc/83/89/28/538838928.db2.gz SBYQBOQFKWXIEQ-XHDPSFHLSA-N 1 0 235.346 3.695 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC1)c1cc(F)ccc1F ZINC000479398080 529117070 /nfs/dbraw/zinc/11/70/70/529117070.db2.gz SUEMHFOPEZXTCY-AWEZNQCLSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC1)c1cc(F)ccc1F ZINC000479398082 528580700 /nfs/dbraw/zinc/58/07/00/528580700.db2.gz SUEMHFOPEZXTCY-CQSZACIVSA-N 1 0 239.309 3.804 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(Cc2ccccc2)CC1 ZINC000479398885 528033541 /nfs/dbraw/zinc/03/35/41/528033541.db2.gz ZQYZBVVUTUCTHC-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(Cc2ccccc2)CC1 ZINC000479398886 528879084 /nfs/dbraw/zinc/87/90/84/528879084.db2.gz ZQYZBVVUTUCTHC-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CC(C)c1cccc(C[NH2+]Cc2cncs2)c1 ZINC000479411197 528170437 /nfs/dbraw/zinc/17/04/37/528170437.db2.gz BDCDUVUZSLYQCB-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC(C)(C[NH2+]Cc1cc[nH]c1)C1=CCCCC1 ZINC000479412329 527171421 /nfs/dbraw/zinc/17/14/21/527171421.db2.gz AKKQTKJEASWJLT-UHFFFAOYSA-N 1 0 232.371 3.631 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1ccsc1 ZINC000479413345 528108229 /nfs/dbraw/zinc/10/82/29/528108229.db2.gz BGSKQHNQAOCCHQ-DZGCQCFKSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1ccsc1 ZINC000479413347 528106144 /nfs/dbraw/zinc/10/61/44/528106144.db2.gz BGSKQHNQAOCCHQ-HIFRSBDPSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1ccsc1 ZINC000479413934 528105634 /nfs/dbraw/zinc/10/56/34/528105634.db2.gz BGSKQHNQAOCCHQ-UKRRQHHQSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1ccsc1 ZINC000479413939 528110117 /nfs/dbraw/zinc/11/01/17/528110117.db2.gz BGSKQHNQAOCCHQ-ZFWWWQNUSA-N 1 0 249.423 3.873 20 0 BHADRO CCCc1cccc(C[NH2+]CCC(F)(F)F)c1 ZINC000479419276 528636008 /nfs/dbraw/zinc/63/60/08/528636008.db2.gz IAYFEAPJXLAXCY-UHFFFAOYSA-N 1 0 245.288 3.681 20 0 BHADRO c1ccc(CC2([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000479419796 534484520 /nfs/dbraw/zinc/48/45/20/534484520.db2.gz LLGUEINNSIUAEL-INIZCTEOSA-N 1 0 241.378 3.708 20 0 BHADRO c1ccc(CC2([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000479419803 534484608 /nfs/dbraw/zinc/48/46/08/534484608.db2.gz LLGUEINNSIUAEL-MRXNPFEDSA-N 1 0 241.378 3.708 20 0 BHADRO CC(C)(C[NH2+]Cc1ccco1)C1=CCCCC1 ZINC000479423176 527171519 /nfs/dbraw/zinc/17/15/19/527171519.db2.gz MEPHPCDRHWPIGY-UHFFFAOYSA-N 1 0 233.355 3.896 20 0 BHADRO Cn1cccc1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479424945 225183131 /nfs/dbraw/zinc/18/31/31/225183131.db2.gz SVSSEJWRZJUMAG-UHFFFAOYSA-N 1 0 246.398 3.641 20 0 BHADRO CC(C)c1cccc(C[NH2+]C2CCSCC2)c1 ZINC000479426221 528170254 /nfs/dbraw/zinc/17/02/54/528170254.db2.gz UKSOLDWVFNCSOQ-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)(C[NH2+]Cc1ccccn1)C1=CCCCC1 ZINC000479426999 527172139 /nfs/dbraw/zinc/17/21/39/527172139.db2.gz WNPRROMJTCYSDG-UHFFFAOYSA-N 1 0 244.382 3.698 20 0 BHADRO CC1(CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000479432495 527926459 /nfs/dbraw/zinc/92/64/59/527926459.db2.gz QSLMFHHPOUCNGX-HNNXBMFYSA-N 1 0 229.367 3.918 20 0 BHADRO CC1(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000479432496 527928520 /nfs/dbraw/zinc/92/85/20/527928520.db2.gz QSLMFHHPOUCNGX-OAHLLOKOSA-N 1 0 229.367 3.918 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C3CC(C)C3)cc2c(C)c1 ZINC000479435042 225182525 /nfs/dbraw/zinc/18/25/25/225182525.db2.gz GDLMQDWXVNYEPA-UHFFFAOYSA-N 1 0 242.366 3.673 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000479435647 225182099 /nfs/dbraw/zinc/18/20/99/225182099.db2.gz HDGJTZREUOCXAO-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000479435648 225183286 /nfs/dbraw/zinc/18/32/86/225183286.db2.gz HDGJTZREUOCXAO-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C(C)(C)CF)cc2c(C)c1 ZINC000479436366 225183350 /nfs/dbraw/zinc/18/33/50/225183350.db2.gz IYSVDFSYMKDSQY-UHFFFAOYSA-N 1 0 248.345 3.622 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1(C)CC1 ZINC000479436696 534086626 /nfs/dbraw/zinc/08/66/26/534086626.db2.gz IWUHVQOYUASPRQ-DOMZBBRYSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1(C)CC1 ZINC000479436698 534083267 /nfs/dbraw/zinc/08/32/67/534083267.db2.gz IWUHVQOYUASPRQ-IUODEOHRSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1(C)CC1 ZINC000479436699 534113636 /nfs/dbraw/zinc/11/36/36/534113636.db2.gz IWUHVQOYUASPRQ-SWLSCSKDSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC1(C)CC1 ZINC000479436701 534116120 /nfs/dbraw/zinc/11/61/20/534116120.db2.gz IWUHVQOYUASPRQ-WFASDCNBSA-N 1 0 229.367 3.700 20 0 BHADRO CCCc1cccc(C[NH2+]CCc2ccco2)c1 ZINC000479437808 528636111 /nfs/dbraw/zinc/63/61/11/528636111.db2.gz NRZCCDZANIWUOM-UHFFFAOYSA-N 1 0 243.350 3.564 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000479440451 528595287 /nfs/dbraw/zinc/59/52/87/528595287.db2.gz SFXLOGKPNXRVEN-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CCC2(C)CC2)cc1 ZINC000479440452 528605626 /nfs/dbraw/zinc/60/56/26/528605626.db2.gz SFXLOGKPNXRVEN-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCCc1cccc(C[NH2+]C(C)(C)CCOC)c1 ZINC000479440789 528634547 /nfs/dbraw/zinc/63/45/47/528634547.db2.gz USPCCTGLYPMFDM-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479446033 529437066 /nfs/dbraw/zinc/43/70/66/529437066.db2.gz NHOWIUNEILADSE-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479446039 529420875 /nfs/dbraw/zinc/42/08/75/529420875.db2.gz NHOWIUNEILADSE-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479446041 529421128 /nfs/dbraw/zinc/42/11/28/529421128.db2.gz NHOWIUNEILADSE-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479446043 529437229 /nfs/dbraw/zinc/43/72/29/529437229.db2.gz NHOWIUNEILADSE-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCC(F)(F)F ZINC000479447113 528106149 /nfs/dbraw/zinc/10/61/49/528106149.db2.gz AVKPOEIJGQRRFW-NEPJUHHUSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000479447118 528108140 /nfs/dbraw/zinc/10/81/40/528108140.db2.gz AVKPOEIJGQRRFW-NWDGAFQWSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC(F)(F)F ZINC000479447120 528109545 /nfs/dbraw/zinc/10/95/45/528109545.db2.gz AVKPOEIJGQRRFW-RYUDHWBXSA-N 1 0 249.320 3.911 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000479447122 528105248 /nfs/dbraw/zinc/10/52/48/528105248.db2.gz AVKPOEIJGQRRFW-VXGBXAGGSA-N 1 0 249.320 3.911 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CC3(C)CC3)cc2c(C)c1 ZINC000479449289 534057534 /nfs/dbraw/zinc/05/75/34/534057534.db2.gz CQEGEJAOTLAMOK-UHFFFAOYSA-N 1 0 242.366 3.674 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000479450490 529156344 /nfs/dbraw/zinc/15/63/44/529156344.db2.gz VPHAQCYHWHVAOC-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000479450491 529590756 /nfs/dbraw/zinc/59/07/56/529590756.db2.gz VPHAQCYHWHVAOC-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000479451126 527925921 /nfs/dbraw/zinc/92/59/21/527925921.db2.gz HIEFJGXLWZGQEW-INIZCTEOSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000479451127 527926149 /nfs/dbraw/zinc/92/61/49/527926149.db2.gz HIEFJGXLWZGQEW-MRXNPFEDSA-N 1 0 243.394 3.788 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000479453337 533410252 /nfs/dbraw/zinc/41/02/52/533410252.db2.gz MTZZUMNICRFEIX-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000479453339 533415727 /nfs/dbraw/zinc/41/57/27/533415727.db2.gz MTZZUMNICRFEIX-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C3(C)CCC3)cc2c(C)c1 ZINC000479454950 225184637 /nfs/dbraw/zinc/18/46/37/225184637.db2.gz PSYKORFXPIIBHR-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C(F)F)CC2)cc1 ZINC000479455275 225184057 /nfs/dbraw/zinc/18/40/57/225184057.db2.gz RZNYTFFFZUQUNN-LLVKDONJSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C(F)F)CC2)cc1 ZINC000479455276 225183733 /nfs/dbraw/zinc/18/37/33/225183733.db2.gz RZNYTFFFZUQUNN-NSHDSACASA-N 1 0 239.309 3.691 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479456945 527763109 /nfs/dbraw/zinc/76/31/09/527763109.db2.gz WSZPJQRQINQSHX-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479456946 528655285 /nfs/dbraw/zinc/65/52/85/528655285.db2.gz WSZPJQRQINQSHX-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479456947 528652804 /nfs/dbraw/zinc/65/28/04/528652804.db2.gz WSZPJQRQINQSHX-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000479456948 527764768 /nfs/dbraw/zinc/76/47/68/527764768.db2.gz WSZPJQRQINQSHX-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO COC1CCC(C)(C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000479457603 225184686 /nfs/dbraw/zinc/18/46/86/225184686.db2.gz YWUQIQKKEOBWHI-DNOWBOINSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(C)(C[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000479457608 225184199 /nfs/dbraw/zinc/18/41/99/225184199.db2.gz YWUQIQKKEOBWHI-OPFPJEHXSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000479465560 538839960 /nfs/dbraw/zinc/83/99/60/538839960.db2.gz KOCLJXROGZIQLC-BBRMVZONSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000479465561 538841163 /nfs/dbraw/zinc/84/11/63/538841163.db2.gz KOCLJXROGZIQLC-CJNGLKHVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000479465563 538840950 /nfs/dbraw/zinc/84/09/50/538840950.db2.gz KOCLJXROGZIQLC-CZUORRHYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000479465564 538840830 /nfs/dbraw/zinc/84/08/30/538840830.db2.gz KOCLJXROGZIQLC-XJKSGUPXSA-N 1 0 248.414 3.737 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000479467937 528637822 /nfs/dbraw/zinc/63/78/22/528637822.db2.gz QZYDDERITJTPLW-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000479467938 528637831 /nfs/dbraw/zinc/63/78/31/528637831.db2.gz QZYDDERITJTPLW-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO CCCc1cccc(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000479478767 528636334 /nfs/dbraw/zinc/63/63/34/528636334.db2.gz XPPAZZCZZBVYCX-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCCc1cccc(C[NH2+]C[C@H]2CCCS2)c1 ZINC000479478768 528636264 /nfs/dbraw/zinc/63/62/64/528636264.db2.gz XPPAZZCZZBVYCX-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO COC1(C[NH2+][C@H](C)C(C)(C)C)CCC(C)CC1 ZINC000479478972 533003525 /nfs/dbraw/zinc/00/35/25/533003525.db2.gz OKXGXJYKPZUJET-JVWICGRDSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(C[NH2+][C@@H](C)C(C)(C)C)CCC(C)CC1 ZINC000479478973 225185808 /nfs/dbraw/zinc/18/58/08/225185808.db2.gz OKXGXJYKPZUJET-OWYJLGKBSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479486638 529182474 /nfs/dbraw/zinc/18/24/74/529182474.db2.gz CEFJOOZOVOZZIN-CORIIIEPSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479486639 529183465 /nfs/dbraw/zinc/18/34/65/529183465.db2.gz CEFJOOZOVOZZIN-LNSITVRQSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479486640 529182560 /nfs/dbraw/zinc/18/25/60/529182560.db2.gz CEFJOOZOVOZZIN-NJZAAPMLSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479486641 529183375 /nfs/dbraw/zinc/18/33/75/529183375.db2.gz CEFJOOZOVOZZIN-WHOFXGATSA-N 1 0 235.346 3.850 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccco1 ZINC000479510621 533390268 /nfs/dbraw/zinc/39/02/68/533390268.db2.gz MUCAVHRKDWQVGW-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccco1 ZINC000479510623 225185435 /nfs/dbraw/zinc/18/54/35/225185435.db2.gz MUCAVHRKDWQVGW-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccccc1F)C1CC1 ZINC000479514547 529600340 /nfs/dbraw/zinc/60/03/40/529600340.db2.gz PNRCIXKLUXWGSF-HNNXBMFYSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccccc1F)C1CC1 ZINC000479518228 529163479 /nfs/dbraw/zinc/16/34/79/529163479.db2.gz PNRCIXKLUXWGSF-OAHLLOKOSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)C(C)(C)C ZINC000479530477 533390723 /nfs/dbraw/zinc/39/07/23/533390723.db2.gz SMLWELNKWMGANW-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)C(C)(C)C ZINC000479530478 225187121 /nfs/dbraw/zinc/18/71/21/225187121.db2.gz SMLWELNKWMGANW-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000479531967 528225291 /nfs/dbraw/zinc/22/52/91/528225291.db2.gz WMQOTLHMXQDIRK-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000479531969 528223899 /nfs/dbraw/zinc/22/38/99/528223899.db2.gz WMQOTLHMXQDIRK-KFWWJZLASA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)c1ccccn1 ZINC000479531970 528225958 /nfs/dbraw/zinc/22/59/58/528225958.db2.gz WMQOTLHMXQDIRK-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)C1)c1ccccn1 ZINC000479531972 528224524 /nfs/dbraw/zinc/22/45/24/528224524.db2.gz WMQOTLHMXQDIRK-ZNMIVQPWSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479536704 529182704 /nfs/dbraw/zinc/18/27/04/529182704.db2.gz GADMIAUQJVIGPR-CORIIIEPSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479536705 529183323 /nfs/dbraw/zinc/18/33/23/529183323.db2.gz GADMIAUQJVIGPR-LNSITVRQSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479536706 529182626 /nfs/dbraw/zinc/18/26/26/529182626.db2.gz GADMIAUQJVIGPR-NJZAAPMLSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479536707 529183344 /nfs/dbraw/zinc/18/33/44/529183344.db2.gz GADMIAUQJVIGPR-WHOFXGATSA-N 1 0 235.346 3.850 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@H](C)C(C)C)cc2c(C)c1 ZINC000479543396 229178249 /nfs/dbraw/zinc/17/82/49/229178249.db2.gz ZMUUHIIDYMOSNY-CYBMUJFWSA-N 1 0 244.382 3.919 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@@H](C)C(C)C)cc2c(C)c1 ZINC000479543398 534056831 /nfs/dbraw/zinc/05/68/31/534056831.db2.gz ZMUUHIIDYMOSNY-ZDUSSCGKSA-N 1 0 244.382 3.919 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000479543476 528635683 /nfs/dbraw/zinc/63/56/83/528635683.db2.gz ZZVVLJFNUWAKTL-UHFFFAOYSA-N 1 0 239.362 3.929 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CC(C)(C)C)cc2c(C)c1 ZINC000479544589 534056914 /nfs/dbraw/zinc/05/69/14/534056914.db2.gz OIJQZAFMROCWHE-UHFFFAOYSA-N 1 0 244.382 3.920 20 0 BHADRO CCCc1cccc(C[NH2+]CCCOC(C)C)c1 ZINC000479546173 528636300 /nfs/dbraw/zinc/63/63/00/528636300.db2.gz VNZJELSNFZNOFH-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@H]3CC3(C)C)cc2c(C)c1 ZINC000479551368 225187684 /nfs/dbraw/zinc/18/76/84/225187684.db2.gz DRQVDQFFYOOSHO-HNNXBMFYSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@@H]3CC3(C)C)cc2c(C)c1 ZINC000479551369 225188532 /nfs/dbraw/zinc/18/85/32/225188532.db2.gz DRQVDQFFYOOSHO-OAHLLOKOSA-N 1 0 242.366 3.673 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000479552022 528258175 /nfs/dbraw/zinc/25/81/75/528258175.db2.gz BEVNNCMOMFWFGG-CYBMUJFWSA-N 1 0 211.393 3.933 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000479552023 528467399 /nfs/dbraw/zinc/46/73/99/528467399.db2.gz BEVNNCMOMFWFGG-ZDUSSCGKSA-N 1 0 211.393 3.933 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000479552591 528674733 /nfs/dbraw/zinc/67/47/33/528674733.db2.gz CEDXJJDCPFUYLL-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1cccs1 ZINC000479553645 528107746 /nfs/dbraw/zinc/10/77/46/528107746.db2.gz KSMIUHFMXIBDCV-DZGCQCFKSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1cccs1 ZINC000479553646 528107234 /nfs/dbraw/zinc/10/72/34/528107234.db2.gz KSMIUHFMXIBDCV-HIFRSBDPSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1cccs1 ZINC000479553647 528105203 /nfs/dbraw/zinc/10/52/03/528105203.db2.gz KSMIUHFMXIBDCV-UKRRQHHQSA-N 1 0 249.423 3.873 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1cccs1 ZINC000479553648 528110109 /nfs/dbraw/zinc/11/01/09/528110109.db2.gz KSMIUHFMXIBDCV-ZFWWWQNUSA-N 1 0 249.423 3.873 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CC3CCC3)cc2c(C)c1 ZINC000479556548 534056890 /nfs/dbraw/zinc/05/68/90/534056890.db2.gz RDKSPEJVMIYBNK-UHFFFAOYSA-N 1 0 242.366 3.674 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000479558809 529623007 /nfs/dbraw/zinc/62/30/07/529623007.db2.gz YJPZWOYCZZUFMV-HZSPNIEDSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000479558810 529623212 /nfs/dbraw/zinc/62/32/12/529623212.db2.gz YJPZWOYCZZUFMV-IHRRRGAJSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000479558811 529623365 /nfs/dbraw/zinc/62/33/65/529623365.db2.gz YJPZWOYCZZUFMV-MELADBBJSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000479558812 529623357 /nfs/dbraw/zinc/62/33/57/529623357.db2.gz YJPZWOYCZZUFMV-RDBSUJKOSA-N 1 0 246.398 3.731 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)C1(C)CC1 ZINC000479558833 533390911 /nfs/dbraw/zinc/39/09/11/533390911.db2.gz YOBULCJNGSNTJF-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)C1(C)CC1 ZINC000479558835 225188486 /nfs/dbraw/zinc/18/84/86/225188486.db2.gz YOBULCJNGSNTJF-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C[C@@H]3C[C@@H]3C)cc2c(C)c1 ZINC000479562585 534058090 /nfs/dbraw/zinc/05/80/90/534058090.db2.gz YRMBWOPXEUGECN-AAEUAGOBSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C[C@H]3C[C@H]3C)cc2c(C)c1 ZINC000479562586 534057949 /nfs/dbraw/zinc/05/79/49/534057949.db2.gz YRMBWOPXEUGECN-DGCLKSJQSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C[C@H]3C[C@@H]3C)cc2c(C)c1 ZINC000479562587 534057026 /nfs/dbraw/zinc/05/70/26/534057026.db2.gz YRMBWOPXEUGECN-WCQYABFASA-N 1 0 242.366 3.530 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C[C@@H]3C[C@H]3C)cc2c(C)c1 ZINC000479562588 534057841 /nfs/dbraw/zinc/05/78/41/534057841.db2.gz YRMBWOPXEUGECN-YPMHNXCESA-N 1 0 242.366 3.530 20 0 BHADRO C[C@H](C1CC1)[N@H+](CC1CCCCC1)C1CC1 ZINC000479566689 225188220 /nfs/dbraw/zinc/18/82/20/225188220.db2.gz MERGFZXGDICVKQ-GFCCVEGCSA-N 1 0 221.388 3.830 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CC1CCCCC1)C1CC1 ZINC000479566727 225187497 /nfs/dbraw/zinc/18/74/97/225187497.db2.gz MERGFZXGDICVKQ-LBPRGKRZSA-N 1 0 221.388 3.830 20 0 BHADRO CCCC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479568452 528552569 /nfs/dbraw/zinc/55/25/69/528552569.db2.gz SVJCJKVLGJELNQ-UHFFFAOYSA-N 1 0 230.355 3.674 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]C3CCCC3)cc2c(C)c1 ZINC000479571314 534057607 /nfs/dbraw/zinc/05/76/07/534057607.db2.gz YKRYPXRRSLJGTP-UHFFFAOYSA-N 1 0 242.366 3.817 20 0 BHADRO Cc1cc2[nH]c(C[NH2+]CCC(C)C)cc2c(C)c1 ZINC000479572092 534058180 /nfs/dbraw/zinc/05/81/80/534058180.db2.gz YXCLBCNIJSTTFZ-UHFFFAOYSA-N 1 0 244.382 3.920 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479575107 529374319 /nfs/dbraw/zinc/37/43/19/529374319.db2.gz QRHDYWKCWPMETQ-GFCCVEGCSA-N 1 0 230.355 3.673 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479575108 529180800 /nfs/dbraw/zinc/18/08/00/529180800.db2.gz QRHDYWKCWPMETQ-LBPRGKRZSA-N 1 0 230.355 3.673 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000479589109 534666958 /nfs/dbraw/zinc/66/69/58/534666958.db2.gz YODIEJCMZGXEQJ-LLVKDONJSA-N 1 0 245.288 3.591 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@H](C)C(F)(F)F ZINC000479589111 534665971 /nfs/dbraw/zinc/66/59/71/534665971.db2.gz YODIEJCMZGXEQJ-NSHDSACASA-N 1 0 245.288 3.591 20 0 BHADRO C[N@H+](CC1CCCCC1)C1Cc2ccccc2C1 ZINC000479590361 529865055 /nfs/dbraw/zinc/86/50/55/529865055.db2.gz BTNKWCBMVSDDBV-UHFFFAOYSA-N 1 0 243.394 3.666 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H](C)C(F)(F)F)c1 ZINC000479593343 225189679 /nfs/dbraw/zinc/18/96/79/225189679.db2.gz OLHAZMDWUACNNW-LLVKDONJSA-N 1 0 245.288 3.591 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H](C)C(F)(F)F)c1 ZINC000479593345 225189536 /nfs/dbraw/zinc/18/95/36/225189536.db2.gz OLHAZMDWUACNNW-NSHDSACASA-N 1 0 245.288 3.591 20 0 BHADRO CC[N@H+](CC1CCCCC1)[C@H](C)C(C)C ZINC000479594466 528348747 /nfs/dbraw/zinc/34/87/47/528348747.db2.gz ORHNTNRXSMWDIH-CYBMUJFWSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CC1CCCCC1 ZINC000479594504 225189700 /nfs/dbraw/zinc/18/97/00/225189700.db2.gz OXZDIDKCBZHCQD-GFCCVEGCSA-N 1 0 221.344 3.853 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CC1CCCCC1 ZINC000479594506 225189247 /nfs/dbraw/zinc/18/92/47/225189247.db2.gz OXZDIDKCBZHCQD-LBPRGKRZSA-N 1 0 221.344 3.853 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000479595453 528107867 /nfs/dbraw/zinc/10/78/67/528107867.db2.gz UTXQUKVVOGXBSP-QJPTWQEYSA-N 1 0 249.320 3.767 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)C(F)(F)F ZINC000479595454 528107771 /nfs/dbraw/zinc/10/77/71/528107771.db2.gz UTXQUKVVOGXBSP-SDDRHHMPSA-N 1 0 249.320 3.767 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)C(F)(F)F ZINC000479595455 528109313 /nfs/dbraw/zinc/10/93/13/528109313.db2.gz UTXQUKVVOGXBSP-SRVKXCTJSA-N 1 0 249.320 3.767 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000479595456 528110075 /nfs/dbraw/zinc/11/00/75/528110075.db2.gz UTXQUKVVOGXBSP-TUAOUCFPSA-N 1 0 249.320 3.767 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)C(F)(F)F)c1C ZINC000479605314 225189660 /nfs/dbraw/zinc/18/96/60/225189660.db2.gz NFTJEWKKHQOWNX-JTQLQIEISA-N 1 0 245.288 3.591 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)C(F)(F)F)c1C ZINC000479605315 225189910 /nfs/dbraw/zinc/18/99/10/225189910.db2.gz NFTJEWKKHQOWNX-SNVBAGLBSA-N 1 0 245.288 3.591 20 0 BHADRO CC1(C)CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000479606733 528942758 /nfs/dbraw/zinc/94/27/58/528942758.db2.gz DCLQJNPLAQFHHR-POHAHGRESA-N 1 0 215.340 3.574 20 0 BHADRO CC1(C)CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000479606734 528942454 /nfs/dbraw/zinc/94/24/54/528942454.db2.gz DCLQJNPLAQFHHR-UXBLZVDNSA-N 1 0 215.340 3.574 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)c(C)c1 ZINC000479607216 534062370 /nfs/dbraw/zinc/06/23/70/534062370.db2.gz UGBNUONVGUWPAJ-LLVKDONJSA-N 1 0 245.288 3.591 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)c(C)c1 ZINC000479607217 534066710 /nfs/dbraw/zinc/06/67/10/534066710.db2.gz UGBNUONVGUWPAJ-NSHDSACASA-N 1 0 245.288 3.591 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1C ZINC000479611432 534060818 /nfs/dbraw/zinc/06/08/18/534060818.db2.gz HICZCROILBDEQO-LLVKDONJSA-N 1 0 245.288 3.591 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1C ZINC000479611434 534066275 /nfs/dbraw/zinc/06/62/75/534066275.db2.gz HICZCROILBDEQO-NSHDSACASA-N 1 0 245.288 3.591 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1 ZINC000479612488 529652658 /nfs/dbraw/zinc/65/26/58/529652658.db2.gz MMFGWJMUDFBYCP-JTQLQIEISA-N 1 0 245.288 3.537 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1 ZINC000479612489 529652903 /nfs/dbraw/zinc/65/29/03/529652903.db2.gz MMFGWJMUDFBYCP-SNVBAGLBSA-N 1 0 245.288 3.537 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCCC2(C)C)c1 ZINC000479615007 225190186 /nfs/dbraw/zinc/19/01/86/225190186.db2.gz HTNGZYMXEIFLBU-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H](C)C(F)(F)F)c1 ZINC000479617745 225189873 /nfs/dbraw/zinc/18/98/73/225189873.db2.gz VSGHBWZFXFRYTD-LLVKDONJSA-N 1 0 245.288 3.591 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H](C)C(F)(F)F)c1 ZINC000479617748 225189115 /nfs/dbraw/zinc/18/91/15/225189115.db2.gz VSGHBWZFXFRYTD-NSHDSACASA-N 1 0 245.288 3.591 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000479623261 527467524 /nfs/dbraw/zinc/46/75/24/527467524.db2.gz ZXTBVKNRBXPTSK-HFTQHKIXSA-N 1 0 241.378 3.964 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000479623264 527468162 /nfs/dbraw/zinc/46/81/62/527468162.db2.gz ZXTBVKNRBXPTSK-MPNRVQBSSA-N 1 0 241.378 3.964 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000479623266 527471524 /nfs/dbraw/zinc/47/15/24/527471524.db2.gz ZXTBVKNRBXPTSK-OOYWPUHTSA-N 1 0 241.378 3.964 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000479623269 527470281 /nfs/dbraw/zinc/47/02/81/527470281.db2.gz ZXTBVKNRBXPTSK-VWTAQGJOSA-N 1 0 241.378 3.964 20 0 BHADRO Cc1cccc(C)c1OCC[N@@H+]1CCCC1(C)C ZINC000479638295 225191213 /nfs/dbraw/zinc/19/12/13/225191213.db2.gz LUOMJHBDKJONDC-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO COC[C@H](CC(C)C)[NH2+]CCC1=CCCCC1 ZINC000479762810 225192228 /nfs/dbraw/zinc/19/22/28/225192228.db2.gz DPHMASBVLJWZEN-HNNXBMFYSA-N 1 0 239.403 3.528 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+]CCC1=CCCCC1 ZINC000479762811 225192361 /nfs/dbraw/zinc/19/23/61/225192361.db2.gz DPHMASBVLJWZEN-OAHLLOKOSA-N 1 0 239.403 3.528 20 0 BHADRO CCCC[C@@H](COC)[NH2+]CCC1=CCCCC1 ZINC000479781421 528832915 /nfs/dbraw/zinc/83/29/15/528832915.db2.gz ZPQHGWCZTVCNHR-HNNXBMFYSA-N 1 0 239.403 3.672 20 0 BHADRO CCCC[C@H](COC)[NH2+]CCC1=CCCCC1 ZINC000479781423 528967378 /nfs/dbraw/zinc/96/73/78/528967378.db2.gz ZPQHGWCZTVCNHR-OAHLLOKOSA-N 1 0 239.403 3.672 20 0 BHADRO CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000479849614 527781004 /nfs/dbraw/zinc/78/10/04/527781004.db2.gz IBMOVANXRBWBEV-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)CCOc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000479849615 527782344 /nfs/dbraw/zinc/78/23/44/527782344.db2.gz IBMOVANXRBWBEV-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000479854447 528554093 /nfs/dbraw/zinc/55/40/93/528554093.db2.gz WMNDKTLIRJEYJP-HNNXBMFYSA-N 1 0 235.371 3.926 20 0 BHADRO CCCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000479854755 528556293 /nfs/dbraw/zinc/55/62/93/528556293.db2.gz WMNDKTLIRJEYJP-OAHLLOKOSA-N 1 0 235.371 3.926 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC(C)C)C2CC2)cc1 ZINC000479855276 225193586 /nfs/dbraw/zinc/19/35/86/225193586.db2.gz YFJLNLZESIKEGI-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC(C)C)C2CC2)cc1 ZINC000479855277 534130320 /nfs/dbraw/zinc/13/03/20/534130320.db2.gz YFJLNLZESIKEGI-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CC[C@@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000479855432 529376122 /nfs/dbraw/zinc/37/61/22/529376122.db2.gz ZLFVUGRSORHCKJ-SECBINFHSA-N 1 0 248.301 3.593 20 0 BHADRO CC[C@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000479855433 529183740 /nfs/dbraw/zinc/18/37/40/529183740.db2.gz ZLFVUGRSORHCKJ-VIFPVBQESA-N 1 0 248.301 3.593 20 0 BHADRO CCCCNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000479857032 528560587 /nfs/dbraw/zinc/56/05/87/528560587.db2.gz CUCDBSKOCFIFAT-UHFFFAOYSA-N 1 0 248.301 3.595 20 0 BHADRO CCCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000479868651 528554553 /nfs/dbraw/zinc/55/45/53/528554553.db2.gz SUJJGRNDHLCDMW-INIZCTEOSA-N 1 0 231.383 3.706 20 0 BHADRO CCCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000479868652 528555823 /nfs/dbraw/zinc/55/58/23/528555823.db2.gz SUJJGRNDHLCDMW-MRXNPFEDSA-N 1 0 231.383 3.706 20 0 BHADRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1C ZINC000479870679 225193947 /nfs/dbraw/zinc/19/39/47/225193947.db2.gz DRIXJHPWZOYCQI-CABCVRRESA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1C ZINC000479870681 225193777 /nfs/dbraw/zinc/19/37/77/225193777.db2.gz DRIXJHPWZOYCQI-HUUCEWRRSA-N 1 0 249.398 3.707 20 0 BHADRO CC(C)C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000479871372 528064624 /nfs/dbraw/zinc/06/46/24/528064624.db2.gz GCRMWKAWCNZHJD-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccccc1C ZINC000479871655 528834147 /nfs/dbraw/zinc/83/41/47/528834147.db2.gz FTAPCIACZCDSDK-CABCVRRESA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1C ZINC000479871656 528832647 /nfs/dbraw/zinc/83/26/47/528832647.db2.gz FTAPCIACZCDSDK-GJZGRUSLSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccccc1C ZINC000479871657 528968477 /nfs/dbraw/zinc/96/84/77/528968477.db2.gz FTAPCIACZCDSDK-HUUCEWRRSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccccc1C ZINC000479871658 528968126 /nfs/dbraw/zinc/96/81/26/528968126.db2.gz FTAPCIACZCDSDK-LSDHHAIUSA-N 1 0 249.398 3.851 20 0 BHADRO CCCCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000479877778 528215148 /nfs/dbraw/zinc/21/51/48/528215148.db2.gz XFUWIZHQXWYBPR-HNNXBMFYSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000479877779 528215980 /nfs/dbraw/zinc/21/59/80/528215980.db2.gz XFUWIZHQXWYBPR-OAHLLOKOSA-N 1 0 235.371 3.926 20 0 BHADRO Cc1c[nH+]ccc1N(C)C[C@H](C)c1ccccc1 ZINC000479969995 225194831 /nfs/dbraw/zinc/19/48/31/225194831.db2.gz ZBQMREWEQLKYCW-AWEZNQCLSA-N 1 0 240.350 3.630 20 0 BHADRO Cc1c[nH+]ccc1N(C)C[C@@H](C)c1ccccc1 ZINC000479969996 225195551 /nfs/dbraw/zinc/19/55/51/225195551.db2.gz ZBQMREWEQLKYCW-CQSZACIVSA-N 1 0 240.350 3.630 20 0 BHADRO Cc1cccc([C@H](C)Nc2cc[nH+]cc2C)c1C ZINC000480008879 225195492 /nfs/dbraw/zinc/19/54/92/225195492.db2.gz BGTHTQUREKGULD-AWEZNQCLSA-N 1 0 240.350 3.602 20 0 BHADRO Cc1cccc([C@@H](C)Nc2cc[nH+]cc2C)c1C ZINC000480008881 225195345 /nfs/dbraw/zinc/19/53/45/225195345.db2.gz BGTHTQUREKGULD-CQSZACIVSA-N 1 0 240.350 3.602 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000480011616 528763625 /nfs/dbraw/zinc/76/36/25/528763625.db2.gz QOIWPULAHPHJMR-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000480011617 528763646 /nfs/dbraw/zinc/76/36/46/528763646.db2.gz QOIWPULAHPHJMR-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000480011618 528763460 /nfs/dbraw/zinc/76/34/60/528763460.db2.gz QOIWPULAHPHJMR-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000480011619 528763677 /nfs/dbraw/zinc/76/36/77/528763677.db2.gz QOIWPULAHPHJMR-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1C)C(C)(C)C ZINC000480015218 225194743 /nfs/dbraw/zinc/19/47/43/225194743.db2.gz GOGPTGBWQMPLEV-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1C)C(C)(C)C ZINC000480015220 225194652 /nfs/dbraw/zinc/19/46/52/225194652.db2.gz GOGPTGBWQMPLEV-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1ccccc1C)C(C)(C)C ZINC000480015222 225194748 /nfs/dbraw/zinc/19/47/48/225194748.db2.gz GOGPTGBWQMPLEV-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1C)C(C)(C)C ZINC000480015226 225194866 /nfs/dbraw/zinc/19/48/66/225194866.db2.gz GOGPTGBWQMPLEV-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000480018949 225194691 /nfs/dbraw/zinc/19/46/91/225194691.db2.gz JZWBBTBFHDCZGB-CHWSQXEVSA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000480018950 528688887 /nfs/dbraw/zinc/68/88/87/528688887.db2.gz JZWBBTBFHDCZGB-OLZOCXBDSA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000480018951 225194784 /nfs/dbraw/zinc/19/47/84/225194784.db2.gz JZWBBTBFHDCZGB-QWHCGFSZSA-N 1 0 235.371 3.780 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000480018952 528689324 /nfs/dbraw/zinc/68/93/24/528689324.db2.gz JZWBBTBFHDCZGB-STQMWFEESA-N 1 0 235.371 3.780 20 0 BHADRO Clc1cccc(CC[NH2+]C(C2CC2)C2CC2)c1 ZINC000480087104 225196527 /nfs/dbraw/zinc/19/65/27/225196527.db2.gz CLSAHIVIJHCKDA-UHFFFAOYSA-N 1 0 249.785 3.661 20 0 BHADRO Cc1cccc(C)c1[C@H](C)Nc1cc[nH+]cc1C ZINC000480120119 225196534 /nfs/dbraw/zinc/19/65/34/225196534.db2.gz YXHWXADKHGUONW-AWEZNQCLSA-N 1 0 240.350 3.602 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)Nc1cc[nH+]cc1C ZINC000480120121 225196219 /nfs/dbraw/zinc/19/62/19/225196219.db2.gz YXHWXADKHGUONW-CQSZACIVSA-N 1 0 240.350 3.602 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000480188244 528970886 /nfs/dbraw/zinc/97/08/86/528970886.db2.gz FJLGXAHZHUBSTB-AWEZNQCLSA-N 1 0 231.383 3.742 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000480188245 528419848 /nfs/dbraw/zinc/41/98/48/528419848.db2.gz FJLGXAHZHUBSTB-CQSZACIVSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C(C)(C)C ZINC000480193850 533364536 /nfs/dbraw/zinc/36/45/36/533364536.db2.gz HESVKBRYAHZXOY-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CC1)C(C)(C)C ZINC000480193851 225197989 /nfs/dbraw/zinc/19/79/89/225197989.db2.gz HESVKBRYAHZXOY-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1c[nH+]ccc1NCc1cccc(C(C)C)c1 ZINC000480200110 225198028 /nfs/dbraw/zinc/19/80/28/225198028.db2.gz MOOQSFHSIIPIFM-UHFFFAOYSA-N 1 0 240.350 3.547 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)C1(C)CC1 ZINC000480201573 225197405 /nfs/dbraw/zinc/19/74/05/225197405.db2.gz SFBFTVYJKYHLMU-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)C1(C)CC1 ZINC000480201574 533364135 /nfs/dbraw/zinc/36/41/35/533364135.db2.gz SFBFTVYJKYHLMU-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO CC[C@H]([NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000480204689 529593825 /nfs/dbraw/zinc/59/38/25/529593825.db2.gz TXXIFYFAHZGRGN-INIZCTEOSA-N 1 0 243.394 3.887 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000480204690 529158517 /nfs/dbraw/zinc/15/85/17/529158517.db2.gz TXXIFYFAHZGRGN-MRXNPFEDSA-N 1 0 243.394 3.887 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000480210755 529241953 /nfs/dbraw/zinc/24/19/53/529241953.db2.gz UOPCBPRRLMBMLV-KBPBESRZSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000480210756 529413484 /nfs/dbraw/zinc/41/34/84/529413484.db2.gz UOPCBPRRLMBMLV-KGLIPLIRSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000480210757 529206618 /nfs/dbraw/zinc/20/66/18/529206618.db2.gz UOPCBPRRLMBMLV-UONOGXRCSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000480210758 529393789 /nfs/dbraw/zinc/39/37/89/529393789.db2.gz UOPCBPRRLMBMLV-ZIAGYGMSSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H]([NH2+]CC1(c2ccccc2)CC1)C(C)C ZINC000480229812 529593425 /nfs/dbraw/zinc/59/34/25/529593425.db2.gz VGNGUORDOPCTSG-HNNXBMFYSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2ccccc2)CC1)C(C)C ZINC000480229813 529157887 /nfs/dbraw/zinc/15/78/87/529157887.db2.gz VGNGUORDOPCTSG-OAHLLOKOSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000480245239 225197900 /nfs/dbraw/zinc/19/79/00/225197900.db2.gz YYDMKBWGMJPUNB-DZGCQCFKSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1(C)CC1 ZINC000480245240 533421077 /nfs/dbraw/zinc/42/10/77/533421077.db2.gz YYDMKBWGMJPUNB-HIFRSBDPSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000480245241 225197548 /nfs/dbraw/zinc/19/75/48/225197548.db2.gz YYDMKBWGMJPUNB-UKRRQHHQSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1(C)CC1 ZINC000480245242 533885453 /nfs/dbraw/zinc/88/54/53/533885453.db2.gz YYDMKBWGMJPUNB-ZFWWWQNUSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000480280131 527442206 /nfs/dbraw/zinc/44/22/06/527442206.db2.gz DOTFZKKPHXBCBF-UHFFFAOYSA-N 1 0 242.366 3.841 20 0 BHADRO CC(C)=CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000480281467 527442912 /nfs/dbraw/zinc/44/29/12/527442912.db2.gz JETVAFYSAXDELU-ARJAWSKDSA-N 1 0 237.293 3.534 20 0 BHADRO CC(C)=CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000480281490 527442258 /nfs/dbraw/zinc/44/22/58/527442258.db2.gz JETVAFYSAXDELU-ONEGZZNKSA-N 1 0 237.293 3.534 20 0 BHADRO CC(C)[C@H](CCc1ccccc1)[NH2+]CC1CC1 ZINC000480283957 528987939 /nfs/dbraw/zinc/98/79/39/528987939.db2.gz MIIPUBYBIMXGTO-INIZCTEOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1CC1 ZINC000480283958 528438104 /nfs/dbraw/zinc/43/81/04/528438104.db2.gz MIIPUBYBIMXGTO-MRXNPFEDSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)=CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000480284988 527407170 /nfs/dbraw/zinc/40/71/70/527407170.db2.gz AFWLNQZADSIYQQ-CVEARBPZSA-N 1 0 229.367 3.736 20 0 BHADRO CC(C)=CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000480285002 527406174 /nfs/dbraw/zinc/40/61/74/527406174.db2.gz AFWLNQZADSIYQQ-HZPDHXFCSA-N 1 0 229.367 3.736 20 0 BHADRO CC(C)=CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000480285003 527406063 /nfs/dbraw/zinc/40/60/63/527406063.db2.gz AFWLNQZADSIYQQ-JKSUJKDBSA-N 1 0 229.367 3.736 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000480289008 527443231 /nfs/dbraw/zinc/44/32/31/527443231.db2.gz ZTRSZMIOQAXZPB-UHFFFAOYSA-N 1 0 242.366 3.841 20 0 BHADRO COc1ccccc1/C=C/C[NH2+]CCC=C(C)C ZINC000480291802 533950808 /nfs/dbraw/zinc/95/08/08/533950808.db2.gz MJZBIGGVQVUURH-JXMROGBWSA-N 1 0 245.366 3.654 20 0 BHADRO COc1ccccc1/C=C\C[NH2+]CCC=C(C)C ZINC000480291804 533959537 /nfs/dbraw/zinc/95/95/37/533959537.db2.gz MJZBIGGVQVUURH-YFHOEESVSA-N 1 0 245.366 3.654 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000480293592 527443598 /nfs/dbraw/zinc/44/35/98/527443598.db2.gz QJQIRFJLDGBTQX-UHFFFAOYSA-N 1 0 240.350 3.599 20 0 BHADRO CC(C)=CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000480299074 527407076 /nfs/dbraw/zinc/40/70/76/527407076.db2.gz BRRDYKJHXPORQG-GQCTYLIASA-N 1 0 233.330 3.785 20 0 BHADRO CC(C)=CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000480299075 527406569 /nfs/dbraw/zinc/40/65/69/527406569.db2.gz BRRDYKJHXPORQG-XQRVVYSFSA-N 1 0 233.330 3.785 20 0 BHADRO CC(C)=CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000480302738 527406420 /nfs/dbraw/zinc/40/64/20/527406420.db2.gz XLDBTZJZVIOJHW-CYBMUJFWSA-N 1 0 235.346 3.875 20 0 BHADRO CC(C)=CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000480302740 527407280 /nfs/dbraw/zinc/40/72/80/527407280.db2.gz XLDBTZJZVIOJHW-ZDUSSCGKSA-N 1 0 235.346 3.875 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC2CC2)C(C)C)cc1 ZINC000480304981 225199194 /nfs/dbraw/zinc/19/91/94/225199194.db2.gz COWCUDHYFLAZQJ-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC2CC2)C(C)C)cc1 ZINC000480304983 534129609 /nfs/dbraw/zinc/12/96/09/534129609.db2.gz COWCUDHYFLAZQJ-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000480305872 527406631 /nfs/dbraw/zinc/40/66/31/527406631.db2.gz IKNCKZHALXUENT-UHFFFAOYSA-N 1 0 246.329 3.753 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480309020 527443167 /nfs/dbraw/zinc/44/31/67/527443167.db2.gz QOSVTAILXXSFCZ-UHFFFAOYSA-N 1 0 245.366 3.531 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000480310412 527442384 /nfs/dbraw/zinc/44/23/84/527442384.db2.gz RMSORFQESVXHHZ-UHFFFAOYSA-N 1 0 245.366 3.531 20 0 BHADRO CC(C)=CC[NH2+]Cc1cccn1CCC(C)C ZINC000480312503 527442468 /nfs/dbraw/zinc/44/24/68/527442468.db2.gz YOPBIPNYQKGXPF-UHFFFAOYSA-N 1 0 234.387 3.590 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480359803 528563041 /nfs/dbraw/zinc/56/30/41/528563041.db2.gz UCGGFSMVUBGPOT-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000480472860 528878888 /nfs/dbraw/zinc/87/88/88/528878888.db2.gz JSYQFYCTLUDXAQ-DOMZBBRYSA-N 1 0 247.382 3.795 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000480472861 528878700 /nfs/dbraw/zinc/87/87/00/528878700.db2.gz JSYQFYCTLUDXAQ-IUODEOHRSA-N 1 0 247.382 3.795 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000480472862 528033831 /nfs/dbraw/zinc/03/38/31/528033831.db2.gz JSYQFYCTLUDXAQ-SWLSCSKDSA-N 1 0 247.382 3.795 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000480472863 528033841 /nfs/dbraw/zinc/03/38/41/528033841.db2.gz JSYQFYCTLUDXAQ-WFASDCNBSA-N 1 0 247.382 3.795 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCC2CC2)cc1 ZINC000480497498 225200410 /nfs/dbraw/zinc/20/04/10/225200410.db2.gz UQTTUFOJGYGMAL-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCC2CC2)cc1 ZINC000480497499 225200437 /nfs/dbraw/zinc/20/04/37/225200437.db2.gz UQTTUFOJGYGMAL-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO c1ccc(C2CC[NH+](CCC3CC3)CC2)cc1 ZINC000480497581 534483221 /nfs/dbraw/zinc/48/32/21/534483221.db2.gz VHLPLKXHOLXZCM-UHFFFAOYSA-N 1 0 229.367 3.666 20 0 BHADRO CC(C)[N@H+](CCCCc1ccccc1)C1CC1 ZINC000480500193 528879409 /nfs/dbraw/zinc/87/94/09/528879409.db2.gz KOZZLCDNZGCPBY-UHFFFAOYSA-N 1 0 231.383 3.882 20 0 BHADRO CC[NH+](CC)[C@H](C)c1cccc(Cl)c1F ZINC000480503108 528269672 /nfs/dbraw/zinc/26/96/72/528269672.db2.gz XJLFLBWSENFRQZ-SECBINFHSA-N 1 0 229.726 3.882 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1cccc(Cl)c1F ZINC000480503145 528234857 /nfs/dbraw/zinc/23/48/57/528234857.db2.gz XJLFLBWSENFRQZ-VIFPVBQESA-N 1 0 229.726 3.882 20 0 BHADRO CC[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000480504333 528671515 /nfs/dbraw/zinc/67/15/15/528671515.db2.gz WVWVJGALHUNHEV-AWEZNQCLSA-N 1 0 239.403 3.599 20 0 BHADRO CC[N@H+](C[C@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000480504334 528743245 /nfs/dbraw/zinc/74/32/45/528743245.db2.gz WVWVJGALHUNHEV-CQSZACIVSA-N 1 0 239.403 3.599 20 0 BHADRO Fc1cccc([C@@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000480506778 225201788 /nfs/dbraw/zinc/20/17/88/225201788.db2.gz RNGFWIPVLVAZRE-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1cccc([C@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000480506779 225202133 /nfs/dbraw/zinc/20/21/33/225202133.db2.gz RNGFWIPVLVAZRE-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CCC1CC1 ZINC000480509601 225201985 /nfs/dbraw/zinc/20/19/85/225201985.db2.gz MNCFVWKOFHKTHN-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CCC1CC1 ZINC000480509602 225202480 /nfs/dbraw/zinc/20/24/80/225202480.db2.gz MNCFVWKOFHKTHN-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCCCCC1 ZINC000480513263 529945193 /nfs/dbraw/zinc/94/51/93/529945193.db2.gz QFPIPEYGIPZRAM-AWEZNQCLSA-N 1 0 239.403 3.599 20 0 BHADRO C[N@H+](C[C@H]1CCC(C)(C)O1)C1CCCCCC1 ZINC000480513264 529962937 /nfs/dbraw/zinc/96/29/37/529962937.db2.gz QFPIPEYGIPZRAM-CQSZACIVSA-N 1 0 239.403 3.599 20 0 BHADRO CC(C)[N@H+](CCC1CC1)Cc1ccccc1 ZINC000480513949 528880039 /nfs/dbraw/zinc/88/00/39/528880039.db2.gz ZKXPMFMOJCTGBB-UHFFFAOYSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCC1CC1 ZINC000480514476 534041504 /nfs/dbraw/zinc/04/15/04/534041504.db2.gz LMCIWLKBMBBSBG-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[N@H+](CCC1CC1)[C@H]1CCCc2ccccc21 ZINC000480514949 529876858 /nfs/dbraw/zinc/87/68/58/529876858.db2.gz WGEXVHPERDRFRG-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](CCC1CC1)[C@@H]1CCCc2ccccc21 ZINC000480514950 529876874 /nfs/dbraw/zinc/87/68/74/529876874.db2.gz WGEXVHPERDRFRG-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC1CC1 ZINC000480515148 529486627 /nfs/dbraw/zinc/48/66/27/529486627.db2.gz OLXYRNDTYCWXOM-CYBMUJFWSA-N 1 0 235.396 3.857 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CCC1CC1 ZINC000480515149 529345499 /nfs/dbraw/zinc/34/54/99/529345499.db2.gz OLXYRNDTYCWXOM-ZDUSSCGKSA-N 1 0 235.396 3.857 20 0 BHADRO c1coc(C[N@@H+](CCC2CC2)C2CCCC2)c1 ZINC000480519607 225201621 /nfs/dbraw/zinc/20/16/21/225201621.db2.gz CONXPCXYCIEBAH-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO Fc1cccc(C[C@@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000480521717 534519597 /nfs/dbraw/zinc/51/95/97/534519597.db2.gz GBEWSQVGWYJSIH-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(C[C@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC000480521721 534519730 /nfs/dbraw/zinc/51/97/30/534519730.db2.gz GBEWSQVGWYJSIH-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO CC[N@H+](CCCCc1ccccc1)C(C)C ZINC000480523175 528432072 /nfs/dbraw/zinc/43/20/72/528432072.db2.gz OMAWDPOURAEVAH-UHFFFAOYSA-N 1 0 219.372 3.740 20 0 BHADRO CC(C)[N@H+](CCC1CC1)Cc1cccc(F)c1 ZINC000480524011 528879540 /nfs/dbraw/zinc/87/95/40/528879540.db2.gz KZNOGJGFWVFCRC-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000480524699 225202092 /nfs/dbraw/zinc/20/20/92/225202092.db2.gz HYWZELGIRZGUCX-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2CCC2CC2)cc1 ZINC000480524701 534496317 /nfs/dbraw/zinc/49/63/17/534496317.db2.gz HYWZELGIRZGUCX-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC1CC1 ZINC000480524721 534044048 /nfs/dbraw/zinc/04/40/48/534044048.db2.gz ICSJHCZNZKDCDW-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CCCCc1ccccc1)C1CCC1 ZINC000480525440 528432646 /nfs/dbraw/zinc/43/26/46/528432646.db2.gz IMUKMHUFWOKICX-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO Fc1ccc(C2=CC[N@H+](CCC3CC3)CC2)cc1 ZINC000480526110 225201922 /nfs/dbraw/zinc/20/19/22/225201922.db2.gz NCRUKPXAVMMTGB-UHFFFAOYSA-N 1 0 245.341 3.715 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC1CC1 ZINC000480533035 534056059 /nfs/dbraw/zinc/05/60/59/534056059.db2.gz UKQXTCSSEZFVTK-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC1CC1 ZINC000480533036 225201744 /nfs/dbraw/zinc/20/17/44/225201744.db2.gz UKQXTCSSEZFVTK-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC1CC1 ZINC000480533492 534127334 /nfs/dbraw/zinc/12/73/34/534127334.db2.gz YJQQNQZWHQDFKD-SECBINFHSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CC1CC1 ZINC000480533494 534087421 /nfs/dbraw/zinc/08/74/21/534087421.db2.gz YJQQNQZWHQDFKD-VIFPVBQESA-N 1 0 241.737 3.882 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C(C)C)CC2)c(C)n1 ZINC000480539730 533916571 /nfs/dbraw/zinc/91/65/71/533916571.db2.gz LAMFONDMPVPSCI-UHFFFAOYSA-N 1 0 246.398 3.566 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)CCC2CC2)cc1 ZINC000480545849 225202194 /nfs/dbraw/zinc/20/21/94/225202194.db2.gz CMOZFOYIJFBFKH-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)CCC2CC2)cc1 ZINC000480545850 534113573 /nfs/dbraw/zinc/11/35/73/534113573.db2.gz CMOZFOYIJFBFKH-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC1CC1 ZINC000480553669 225202043 /nfs/dbraw/zinc/20/20/43/225202043.db2.gz LNEUQJTXJQTXNJ-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC1CC1 ZINC000480553670 533995343 /nfs/dbraw/zinc/99/53/43/533995343.db2.gz LNEUQJTXJQTXNJ-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC1CC1 ZINC000480553671 533692841 /nfs/dbraw/zinc/69/28/41/533692841.db2.gz LNEUQJTXJQTXNJ-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC1CC1 ZINC000480553672 225201882 /nfs/dbraw/zinc/20/18/82/225201882.db2.gz LNEUQJTXJQTXNJ-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO Fc1cccc(CC[N@H+](CCC2CC2)C2CC2)c1 ZINC000480555327 225201672 /nfs/dbraw/zinc/20/16/72/225201672.db2.gz OOCGTFMOABGKPG-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCC1CC1 ZINC000480556062 529541594 /nfs/dbraw/zinc/54/15/94/529541594.db2.gz UVGVAPCYTWOWBM-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CCC1CC1 ZINC000480556064 529427339 /nfs/dbraw/zinc/42/73/39/529427339.db2.gz UVGVAPCYTWOWBM-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO Fc1ccc(CC[N@H+](CCC2CC2)C2CC2)cc1 ZINC000480556643 225201970 /nfs/dbraw/zinc/20/19/70/225201970.db2.gz QIDLLTDPTMICRN-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC000480556689 527863361 /nfs/dbraw/zinc/86/33/61/527863361.db2.gz QNKQIPPGOWVHKH-SECBINFHSA-N 1 0 229.726 3.882 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC000480556690 527862970 /nfs/dbraw/zinc/86/29/70/527862970.db2.gz QNKQIPPGOWVHKH-VIFPVBQESA-N 1 0 229.726 3.882 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CCC2CC2)s1 ZINC000480557972 225203155 /nfs/dbraw/zinc/20/31/55/225203155.db2.gz AYSVGBJRGONGSO-CYBMUJFWSA-N 1 0 235.396 3.994 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC2CC2)s1 ZINC000480557973 225202848 /nfs/dbraw/zinc/20/28/48/225202848.db2.gz AYSVGBJRGONGSO-ZDUSSCGKSA-N 1 0 235.396 3.994 20 0 BHADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC1CC1 ZINC000480559070 225204575 /nfs/dbraw/zinc/20/45/75/225204575.db2.gz SQFVFJIUKXOVFJ-DOMZBBRYSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC1CC1 ZINC000480559072 533689739 /nfs/dbraw/zinc/68/97/39/533689739.db2.gz SQFVFJIUKXOVFJ-IUODEOHRSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC1CC1 ZINC000480559073 225204419 /nfs/dbraw/zinc/20/44/19/225204419.db2.gz SQFVFJIUKXOVFJ-SWLSCSKDSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC1CC1 ZINC000480559074 225204697 /nfs/dbraw/zinc/20/46/97/225204697.db2.gz SQFVFJIUKXOVFJ-WFASDCNBSA-N 1 0 247.357 3.804 20 0 BHADRO Clc1ccc([C@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC000480561133 225203624 /nfs/dbraw/zinc/20/36/24/225203624.db2.gz HAVFWTODPNDUGL-AWEZNQCLSA-N 1 0 249.785 3.929 20 0 BHADRO Clc1ccc([C@@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC000480561134 225204569 /nfs/dbraw/zinc/20/45/69/225204569.db2.gz HAVFWTODPNDUGL-CQSZACIVSA-N 1 0 249.785 3.929 20 0 BHADRO c1coc([C@@H]2CCCCC[N@H+]2CCC2CC2)c1 ZINC000480562559 225204770 /nfs/dbraw/zinc/20/47/70/225204770.db2.gz ZPRIKOWVLCHNPR-AWEZNQCLSA-N 1 0 233.355 3.997 20 0 BHADRO c1coc([C@H]2CCCCC[N@H+]2CCC2CC2)c1 ZINC000480562560 225203929 /nfs/dbraw/zinc/20/39/29/225203929.db2.gz ZPRIKOWVLCHNPR-CQSZACIVSA-N 1 0 233.355 3.997 20 0 BHADRO c1ccc(CCCC[N@@H+]2CCC23CCC3)cc1 ZINC000480569094 534484462 /nfs/dbraw/zinc/48/44/62/534484462.db2.gz UWPUQIHLPNCLKF-UHFFFAOYSA-N 1 0 229.367 3.638 20 0 BHADRO C(C[N@@H+]1CCSC2(CCCCC2)C1)C1CC1 ZINC000480576183 527481956 /nfs/dbraw/zinc/48/19/56/527481956.db2.gz GJDQUDNUXDQPDE-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@H+](CCC1CC1)C1CC1 ZINC000480586082 225203773 /nfs/dbraw/zinc/20/37/73/225203773.db2.gz VWKBDZAATOSKNY-KRWDZBQOSA-N 1 0 241.378 3.938 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@H+](CCC1CC1)C1CC1 ZINC000480586142 225204314 /nfs/dbraw/zinc/20/43/14/225204314.db2.gz VWKBDZAATOSKNY-QGZVFWFLSA-N 1 0 241.378 3.938 20 0 BHADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC1CC1 ZINC000480587763 225203823 /nfs/dbraw/zinc/20/38/23/225203823.db2.gz XQFBHHAAHYHVRF-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC1CC1 ZINC000480587764 225204558 /nfs/dbraw/zinc/20/45/58/225204558.db2.gz XQFBHHAAHYHVRF-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC1CC1 ZINC000480587766 225204746 /nfs/dbraw/zinc/20/47/46/225204746.db2.gz XQFBHHAAHYHVRF-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC1CC1 ZINC000480587767 225204523 /nfs/dbraw/zinc/20/45/23/225204523.db2.gz XQFBHHAAHYHVRF-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C)C1 ZINC000480593668 534126823 /nfs/dbraw/zinc/12/68/23/534126823.db2.gz SJUSCUOXPDTXOU-NXEZZACHSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](C)C1 ZINC000480593670 534088780 /nfs/dbraw/zinc/08/87/80/534088780.db2.gz SJUSCUOXPDTXOU-UWVGGRQHSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](C)C1 ZINC000480593828 534127974 /nfs/dbraw/zinc/12/79/74/534127974.db2.gz SJUSCUOXPDTXOU-VHSXEESVSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C)C1 ZINC000480593829 534088823 /nfs/dbraw/zinc/08/88/23/534088823.db2.gz SJUSCUOXPDTXOU-ZJUUUORDSA-N 1 0 241.737 3.882 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)N(C)c1ccccc1 ZINC000480628684 225203701 /nfs/dbraw/zinc/20/37/01/225203701.db2.gz YXMAKAAYRAAGPT-KBPBESRZSA-N 1 0 248.414 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)N(C)c1ccccc1 ZINC000480628685 534120444 /nfs/dbraw/zinc/12/04/44/534120444.db2.gz YXMAKAAYRAAGPT-KGLIPLIRSA-N 1 0 248.414 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)C(C)(C)C ZINC000480628686 533427628 /nfs/dbraw/zinc/42/76/28/533427628.db2.gz YXMAKAAYRAAGPT-UONOGXRCSA-N 1 0 248.414 3.536 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C(C)(C)C)N(C)c1ccccc1 ZINC000480628687 225204023 /nfs/dbraw/zinc/20/40/23/225204023.db2.gz YXMAKAAYRAAGPT-ZIAGYGMSSA-N 1 0 248.414 3.536 20 0 BHADRO CC(C)CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480637105 527741730 /nfs/dbraw/zinc/74/17/30/527741730.db2.gz NZFLIGGKUXVUOC-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO Cc1cccc(CCC[N@@H+](C(C)C)C2CC2)c1 ZINC000480655019 225204564 /nfs/dbraw/zinc/20/45/64/225204564.db2.gz RQJGLCIOJSRLAF-UHFFFAOYSA-N 1 0 231.383 3.800 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480657173 527688639 /nfs/dbraw/zinc/68/86/39/527688639.db2.gz DGULEOIMFDBAGP-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C1CC1)C(F)(F)F ZINC000480662487 225206157 /nfs/dbraw/zinc/20/61/57/225206157.db2.gz UKGZZZVMSNBJKP-ADEWGFFLSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C1CC1)C(F)(F)F ZINC000480662489 225206120 /nfs/dbraw/zinc/20/61/20/225206120.db2.gz UKGZZZVMSNBJKP-JLLWLGSASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C1CC1)C(F)(F)F ZINC000480662490 225205919 /nfs/dbraw/zinc/20/59/19/225205919.db2.gz UKGZZZVMSNBJKP-USWWRNFRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)C(F)(F)F ZINC000480662491 225205971 /nfs/dbraw/zinc/20/59/71/225205971.db2.gz UKGZZZVMSNBJKP-YUSALJHKSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663227 533615789 /nfs/dbraw/zinc/61/57/89/533615789.db2.gz BUIYKOPSZWCHRO-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663229 225206171 /nfs/dbraw/zinc/20/61/71/225206171.db2.gz BUIYKOPSZWCHRO-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663230 225206047 /nfs/dbraw/zinc/20/60/47/225206047.db2.gz BUIYKOPSZWCHRO-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663231 225205283 /nfs/dbraw/zinc/20/52/83/225205283.db2.gz BUIYKOPSZWCHRO-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663382 528893658 /nfs/dbraw/zinc/89/36/58/528893658.db2.gz LJCJMTFMAKMINY-AWEZNQCLSA-N 1 0 231.383 3.930 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480663384 528763351 /nfs/dbraw/zinc/76/33/51/528763351.db2.gz LJCJMTFMAKMINY-CQSZACIVSA-N 1 0 231.383 3.930 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000480663570 386801111 /nfs/dbraw/zinc/80/11/11/386801111.db2.gz LVAUSRHTFRCCHF-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000480663577 386801135 /nfs/dbraw/zinc/80/11/35/386801135.db2.gz LVAUSRHTFRCCHF-IHRRRGAJSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000480663581 262785323 /nfs/dbraw/zinc/78/53/23/262785323.db2.gz LVAUSRHTFRCCHF-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000480663584 386800009 /nfs/dbraw/zinc/80/00/09/386800009.db2.gz LVAUSRHTFRCCHF-MJBXVCDLSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H]([NH2+]C1(Cc2ccccc2)CC1)C1CC1 ZINC000480664261 529583511 /nfs/dbraw/zinc/58/35/11/529583511.db2.gz ZFBYTKIYWIZLDO-HNNXBMFYSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H]([NH2+]C1(Cc2ccccc2)CC1)C1CC1 ZINC000480664263 529680531 /nfs/dbraw/zinc/68/05/31/529680531.db2.gz ZFBYTKIYWIZLDO-OAHLLOKOSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480665721 529373783 /nfs/dbraw/zinc/37/37/83/529373783.db2.gz GQZKQKGNHABAOW-LLVKDONJSA-N 1 0 241.325 3.676 20 0 BHADRO CC[C@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480665722 529180197 /nfs/dbraw/zinc/18/01/97/529180197.db2.gz GQZKQKGNHABAOW-NSHDSACASA-N 1 0 241.325 3.676 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480668246 528803458 /nfs/dbraw/zinc/80/34/58/528803458.db2.gz SLJHFEDENAEREC-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000480668288 225206686 /nfs/dbraw/zinc/20/66/86/225206686.db2.gz SFWYPBHVBOPINK-ADEWGFFLSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000480668291 225205444 /nfs/dbraw/zinc/20/54/44/225205444.db2.gz SFWYPBHVBOPINK-JLLWLGSASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000480668293 225205438 /nfs/dbraw/zinc/20/54/38/225205438.db2.gz SFWYPBHVBOPINK-USWWRNFRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000480668295 225205348 /nfs/dbraw/zinc/20/53/48/225205348.db2.gz SFWYPBHVBOPINK-YUSALJHKSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480668973 225205963 /nfs/dbraw/zinc/20/59/63/225205963.db2.gz UJAOBTXZKCFALZ-AWEZNQCLSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480668974 533825233 /nfs/dbraw/zinc/82/52/33/533825233.db2.gz UJAOBTXZKCFALZ-CQSZACIVSA-N 1 0 243.394 3.930 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480669592 528473876 /nfs/dbraw/zinc/47/38/76/528473876.db2.gz CKHBSUBLSITTRC-AWEZNQCLSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480669593 528266072 /nfs/dbraw/zinc/26/60/72/528266072.db2.gz CKHBSUBLSITTRC-CQSZACIVSA-N 1 0 231.383 3.786 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)o1 ZINC000480670590 529721283 /nfs/dbraw/zinc/72/12/83/529721283.db2.gz WYARDYZJFFMIDK-BDAKNGLRSA-N 1 0 249.276 3.691 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)o1 ZINC000480670591 529706610 /nfs/dbraw/zinc/70/66/10/529706610.db2.gz WYARDYZJFFMIDK-DTWKUNHWSA-N 1 0 249.276 3.691 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)o1 ZINC000480670592 529721394 /nfs/dbraw/zinc/72/13/94/529721394.db2.gz WYARDYZJFFMIDK-IUCAKERBSA-N 1 0 249.276 3.691 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)o1 ZINC000480670593 529706456 /nfs/dbraw/zinc/70/64/56/529706456.db2.gz WYARDYZJFFMIDK-RKDXNWHRSA-N 1 0 249.276 3.691 20 0 BHADRO COC[C@H]([NH2+]Cc1cccc(C(C)C)c1)C(C)C ZINC000480671812 225205714 /nfs/dbraw/zinc/20/57/14/225205714.db2.gz GSYSMHRJGPITBM-INIZCTEOSA-N 1 0 249.398 3.571 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480672373 225206160 /nfs/dbraw/zinc/20/61/60/225206160.db2.gz OVXJRNUCJGCQLX-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480672376 225206342 /nfs/dbraw/zinc/20/63/42/225206342.db2.gz OVXJRNUCJGCQLX-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480672378 225206212 /nfs/dbraw/zinc/20/62/12/225206212.db2.gz OVXJRNUCJGCQLX-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480672379 225206641 /nfs/dbraw/zinc/20/66/41/225206641.db2.gz OVXJRNUCJGCQLX-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO COC[C@@H]([NH2+]Cc1cccc(C(C)C)c1)C(C)C ZINC000480672413 225206589 /nfs/dbraw/zinc/20/65/89/225206589.db2.gz GSYSMHRJGPITBM-MRXNPFEDSA-N 1 0 249.398 3.571 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480674051 529047798 /nfs/dbraw/zinc/04/77/98/529047798.db2.gz WPNGUPFENUUDRU-HNNXBMFYSA-N 1 0 243.394 3.930 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000480674054 529027075 /nfs/dbraw/zinc/02/70/75/529027075.db2.gz WPNGUPFENUUDRU-OAHLLOKOSA-N 1 0 243.394 3.930 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480676430 528104730 /nfs/dbraw/zinc/10/47/30/528104730.db2.gz AYWQVVYMNDWMJA-HNNXBMFYSA-N 1 0 231.383 3.930 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480676431 528923115 /nfs/dbraw/zinc/92/31/15/528923115.db2.gz AYWQVVYMNDWMJA-OAHLLOKOSA-N 1 0 231.383 3.930 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480679120 529241899 /nfs/dbraw/zinc/24/18/99/529241899.db2.gz VDFVPGGDOOSMMD-KBPBESRZSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480679121 529413252 /nfs/dbraw/zinc/41/32/52/529413252.db2.gz VDFVPGGDOOSMMD-KGLIPLIRSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480679123 529206430 /nfs/dbraw/zinc/20/64/30/529206430.db2.gz VDFVPGGDOOSMMD-UONOGXRCSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480679124 529393736 /nfs/dbraw/zinc/39/37/36/529393736.db2.gz VDFVPGGDOOSMMD-ZIAGYGMSSA-N 1 0 231.383 3.786 20 0 BHADRO CC[N@H+](CCCc1cccc(C)c1)C(C)C ZINC000480684781 528473429 /nfs/dbraw/zinc/47/34/29/528473429.db2.gz YVKVYUGBTLYBLP-UHFFFAOYSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](COC)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480685641 529519681 /nfs/dbraw/zinc/51/96/81/529519681.db2.gz AWIKDDXWXOTSMO-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC[C@H](COC)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480685642 529398450 /nfs/dbraw/zinc/39/84/50/529398450.db2.gz AWIKDDXWXOTSMO-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000480687797 528172530 /nfs/dbraw/zinc/17/25/30/528172530.db2.gz HUSVNXIKKXEHOH-HNNXBMFYSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000480687798 528172449 /nfs/dbraw/zinc/17/24/49/528172449.db2.gz HUSVNXIKKXEHOH-OAHLLOKOSA-N 1 0 249.423 3.795 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)C1CCCC1 ZINC000480688433 533791227 /nfs/dbraw/zinc/79/12/27/533791227.db2.gz IBLFESJCKMQACT-AWEZNQCLSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)C1CCCC1 ZINC000480688434 533327434 /nfs/dbraw/zinc/32/74/34/533327434.db2.gz IBLFESJCKMQACT-CQSZACIVSA-N 1 0 243.394 3.930 20 0 BHADRO CC1CCC([NH2+]C2(Cc3ccccc3)CC2)CC1 ZINC000480691592 528200962 /nfs/dbraw/zinc/20/09/62/528200962.db2.gz WGIUKIHUMQKQIW-UHFFFAOYSA-N 1 0 243.394 3.930 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480694692 533104277 /nfs/dbraw/zinc/10/42/77/533104277.db2.gz PLTDBVUUGKLCTM-CHWSQXEVSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480694694 225206107 /nfs/dbraw/zinc/20/61/07/225206107.db2.gz PLTDBVUUGKLCTM-OLZOCXBDSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480694696 225206270 /nfs/dbraw/zinc/20/62/70/225206270.db2.gz PLTDBVUUGKLCTM-QWHCGFSZSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480694697 533354363 /nfs/dbraw/zinc/35/43/63/533354363.db2.gz PLTDBVUUGKLCTM-STQMWFEESA-N 1 0 239.403 3.526 20 0 BHADRO COCCC[C@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000480695863 225206447 /nfs/dbraw/zinc/20/64/47/225206447.db2.gz UUCJZHIPGXBHKP-AWEZNQCLSA-N 1 0 249.398 3.715 20 0 BHADRO COCCC[C@@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000480695865 225206467 /nfs/dbraw/zinc/20/64/67/225206467.db2.gz UUCJZHIPGXBHKP-CQSZACIVSA-N 1 0 249.398 3.715 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480697755 225206165 /nfs/dbraw/zinc/20/61/65/225206165.db2.gz KYGKNHFHBRIAQF-DZGCQCFKSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480697756 533792714 /nfs/dbraw/zinc/79/27/14/533792714.db2.gz KYGKNHFHBRIAQF-HIFRSBDPSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480697757 533895536 /nfs/dbraw/zinc/89/55/36/533895536.db2.gz KYGKNHFHBRIAQF-UKRRQHHQSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000480697758 534181186 /nfs/dbraw/zinc/18/11/86/534181186.db2.gz KYGKNHFHBRIAQF-ZFWWWQNUSA-N 1 0 229.367 3.540 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)C2CCCC2)c1 ZINC000480698397 225206334 /nfs/dbraw/zinc/20/63/34/225206334.db2.gz BMSMPRNTAQMJDD-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)CC(C)C)c1 ZINC000480708598 225206219 /nfs/dbraw/zinc/20/62/19/225206219.db2.gz WXNIZWNRMLVFJT-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO CCOC[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480712762 528884991 /nfs/dbraw/zinc/88/49/91/528884991.db2.gz TYKOOSGANBZFNF-CYBMUJFWSA-N 1 0 239.403 3.528 20 0 BHADRO CCOC[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480712763 528975997 /nfs/dbraw/zinc/97/59/97/528975997.db2.gz TYKOOSGANBZFNF-ZDUSSCGKSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CCCCC1 ZINC000480715017 528421363 /nfs/dbraw/zinc/42/13/63/528421363.db2.gz RXMOSOLDUAVVQT-CABCVRRESA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000480715018 528418227 /nfs/dbraw/zinc/41/82/27/528418227.db2.gz RXMOSOLDUAVVQT-GJZGRUSLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CCCCC1 ZINC000480715019 528608778 /nfs/dbraw/zinc/60/87/78/528608778.db2.gz RXMOSOLDUAVVQT-HUUCEWRRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000480715020 528606742 /nfs/dbraw/zinc/60/67/42/528606742.db2.gz RXMOSOLDUAVVQT-LSDHHAIUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000480724400 528106810 /nfs/dbraw/zinc/10/68/10/528106810.db2.gz HMAJBYGADLTFCD-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000480724401 528106279 /nfs/dbraw/zinc/10/62/79/528106279.db2.gz HMAJBYGADLTFCD-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000480724403 528106991 /nfs/dbraw/zinc/10/69/91/528106991.db2.gz HMAJBYGADLTFCD-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000480724404 528106662 /nfs/dbraw/zinc/10/66/62/528106662.db2.gz HMAJBYGADLTFCD-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000480727301 529242633 /nfs/dbraw/zinc/24/26/33/529242633.db2.gz ODYXJJMERQBEKN-AJNGGQMLSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000480727302 529242427 /nfs/dbraw/zinc/24/24/27/529242427.db2.gz ODYXJJMERQBEKN-BYNSBNAKSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000480727854 529242482 /nfs/dbraw/zinc/24/24/82/529242482.db2.gz ODYXJJMERQBEKN-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000480727856 529242414 /nfs/dbraw/zinc/24/24/14/529242414.db2.gz ODYXJJMERQBEKN-ZQDZILKHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000480731698 528477035 /nfs/dbraw/zinc/47/70/35/528477035.db2.gz XNVNNBJCQQAYQB-KKUMJFAQSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000480731700 528476066 /nfs/dbraw/zinc/47/60/66/528476066.db2.gz XNVNNBJCQQAYQB-RRFJBIMHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000480731701 528476499 /nfs/dbraw/zinc/47/64/99/528476499.db2.gz XNVNNBJCQQAYQB-SOUVJXGZSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000480731702 528475122 /nfs/dbraw/zinc/47/51/22/528475122.db2.gz XNVNNBJCQQAYQB-ZNMIVQPWSA-N 1 0 241.419 3.604 20 0 BHADRO c1ccc([C@H]([NH2+]CCC2CC2)C2CCC2)cc1 ZINC000480732940 534501800 /nfs/dbraw/zinc/50/18/00/534501800.db2.gz FEQAZFBJHOARAB-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO c1ccc([C@@H]([NH2+]CCC2CC2)C2CCC2)cc1 ZINC000480732942 225208165 /nfs/dbraw/zinc/20/81/65/225208165.db2.gz FEQAZFBJHOARAB-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)(C)C ZINC000480736337 533364764 /nfs/dbraw/zinc/36/47/64/533364764.db2.gz MGYLJVQRPVKRGN-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)(C)C ZINC000480736338 225208160 /nfs/dbraw/zinc/20/81/60/225208160.db2.gz MGYLJVQRPVKRGN-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@@H](C)C(C)C)cc1 ZINC000480738115 225208052 /nfs/dbraw/zinc/20/80/52/225208052.db2.gz JVJSPAHINCKFEI-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@H](C)C(C)C)cc1 ZINC000480738117 225207640 /nfs/dbraw/zinc/20/76/40/225207640.db2.gz JVJSPAHINCKFEI-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)Cc2ccco2)c1 ZINC000480748123 225207993 /nfs/dbraw/zinc/20/79/93/225207993.db2.gz KRHLTCYNVAWBML-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCc1ccc(OC)cc1 ZINC000480758916 529651236 /nfs/dbraw/zinc/65/12/36/529651236.db2.gz FVOVSLNXQCFJSS-AWEZNQCLSA-N 1 0 249.398 3.606 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCc1ccc(OC)cc1 ZINC000480758918 529314099 /nfs/dbraw/zinc/31/40/99/529314099.db2.gz FVOVSLNXQCFJSS-CQSZACIVSA-N 1 0 249.398 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000480759404 528895214 /nfs/dbraw/zinc/89/52/14/528895214.db2.gz GGMQGSYTCIOADC-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000480759406 528895271 /nfs/dbraw/zinc/89/52/71/528895271.db2.gz GGMQGSYTCIOADC-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000480759407 528895095 /nfs/dbraw/zinc/89/50/95/528895095.db2.gz GGMQGSYTCIOADC-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000480759409 528895208 /nfs/dbraw/zinc/89/52/08/528895208.db2.gz GGMQGSYTCIOADC-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)[N@H+](CCC1CC1)Cc1ccccc1F ZINC000480772548 528879565 /nfs/dbraw/zinc/87/95/65/528879565.db2.gz GICUAGZCLRKLEW-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCC1CC1)C1CC1 ZINC000480774275 529411515 /nfs/dbraw/zinc/41/15/15/529411515.db2.gz YXEWKJFQFHQRNJ-NEPJUHHUSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCC1CC1)C1CC1 ZINC000480774276 529202832 /nfs/dbraw/zinc/20/28/32/529202832.db2.gz YXEWKJFQFHQRNJ-NWDGAFQWSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCC1CC1)C1CC1 ZINC000480774277 529238350 /nfs/dbraw/zinc/23/83/50/529238350.db2.gz YXEWKJFQFHQRNJ-RYUDHWBXSA-N 1 0 209.377 3.686 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCC1CC1)C1CC1 ZINC000480774278 529391441 /nfs/dbraw/zinc/39/14/41/529391441.db2.gz YXEWKJFQFHQRNJ-VXGBXAGGSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)C[N@H+](CCC1CC1)C1CCCC1 ZINC000480775204 527938552 /nfs/dbraw/zinc/93/85/52/527938552.db2.gz BKOYKLYUBOZPRL-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CCC1CC1 ZINC000480783158 529256264 /nfs/dbraw/zinc/25/62/64/529256264.db2.gz YTUXGXLYGINRHR-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CCC1CC1 ZINC000480783160 529180783 /nfs/dbraw/zinc/18/07/83/529180783.db2.gz YTUXGXLYGINRHR-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(Cl)cc1F ZINC000480784917 529876626 /nfs/dbraw/zinc/87/66/26/529876626.db2.gz IWYICBZSSMTXCO-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000480789945 225207945 /nfs/dbraw/zinc/20/79/45/225207945.db2.gz NESIIULTJOFFBE-HNNXBMFYSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000480789947 225208120 /nfs/dbraw/zinc/20/81/20/225208120.db2.gz NESIIULTJOFFBE-OAHLLOKOSA-N 1 0 229.367 3.584 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCC1CC1 ZINC000480792321 534065063 /nfs/dbraw/zinc/06/50/63/534065063.db2.gz CYHDTGBZHWGHFO-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CCC1CC1 ZINC000480792322 225207042 /nfs/dbraw/zinc/20/70/42/225207042.db2.gz CYHDTGBZHWGHFO-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CC(C)[N@H+](CCC1CC1)Cc1ccc(F)cc1 ZINC000480797072 528879701 /nfs/dbraw/zinc/87/97/01/528879701.db2.gz ONMCLXDCKWTSGO-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO FC1=CCC[N@H+](CCCCc2ccccc2)C1 ZINC000480852915 225209649 /nfs/dbraw/zinc/20/96/49/225209649.db2.gz OLJDUDPEJNTAAZ-UHFFFAOYSA-N 1 0 233.330 3.568 20 0 BHADRO Cc1ccc(C(=O)CC[NH+](C(C)C)C(C)C)cc1 ZINC000480874656 225209451 /nfs/dbraw/zinc/20/94/51/225209451.db2.gz FVRNXONOWNHYNW-UHFFFAOYSA-N 1 0 247.382 3.687 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000480893579 528874666 /nfs/dbraw/zinc/87/46/66/528874666.db2.gz CRVYMVMLVYSUJF-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000480893580 529005349 /nfs/dbraw/zinc/00/53/49/529005349.db2.gz CRVYMVMLVYSUJF-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000480893581 529003491 /nfs/dbraw/zinc/00/34/91/529003491.db2.gz CRVYMVMLVYSUJF-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000480893582 528870463 /nfs/dbraw/zinc/87/04/63/528870463.db2.gz CRVYMVMLVYSUJF-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000480894999 529241917 /nfs/dbraw/zinc/24/19/17/529241917.db2.gz FVWNKIQGUGPMMR-KBPBESRZSA-N 1 0 247.382 3.592 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000480895000 529413741 /nfs/dbraw/zinc/41/37/41/529413741.db2.gz FVWNKIQGUGPMMR-KGLIPLIRSA-N 1 0 247.382 3.592 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000480895003 529206415 /nfs/dbraw/zinc/20/64/15/529206415.db2.gz FVWNKIQGUGPMMR-UONOGXRCSA-N 1 0 247.382 3.592 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000480895006 529393649 /nfs/dbraw/zinc/39/36/49/529393649.db2.gz FVWNKIQGUGPMMR-ZIAGYGMSSA-N 1 0 247.382 3.592 20 0 BHADRO CC1=CC[N@H+](CCCCc2ccccc2)CC1 ZINC000480898429 528114103 /nfs/dbraw/zinc/11/41/03/528114103.db2.gz NMSGLGKSEJGPIC-UHFFFAOYSA-N 1 0 229.367 3.661 20 0 BHADRO CCS[C@@H]1CCCC[N@H+](CC=C(C)C)C1 ZINC000480971468 529206440 /nfs/dbraw/zinc/20/64/40/529206440.db2.gz NVGLQPFLLFOZEN-CYBMUJFWSA-N 1 0 227.417 3.560 20 0 BHADRO CCS[C@H]1CCCC[N@H+](CC=C(C)C)C1 ZINC000480971569 529225501 /nfs/dbraw/zinc/22/55/01/529225501.db2.gz NVGLQPFLLFOZEN-ZDUSSCGKSA-N 1 0 227.417 3.560 20 0 BHADRO CCS[C@H]1CCCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000480996559 529225776 /nfs/dbraw/zinc/22/57/76/529225776.db2.gz DINXSEVIUDVBQI-KBPBESRZSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@H]1CCCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000480996560 529225880 /nfs/dbraw/zinc/22/58/80/529225880.db2.gz DINXSEVIUDVBQI-KGLIPLIRSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@@H]1CCCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000480996561 529207198 /nfs/dbraw/zinc/20/71/98/529207198.db2.gz DINXSEVIUDVBQI-UONOGXRCSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@@H]1CCCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000480996562 529207336 /nfs/dbraw/zinc/20/73/36/529207336.db2.gz DINXSEVIUDVBQI-ZIAGYGMSSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC000481019695 529225357 /nfs/dbraw/zinc/22/53/57/529225357.db2.gz TZXHNRFUIWVQPD-AWEZNQCLSA-N 1 0 241.444 3.784 20 0 BHADRO CCS[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC000481019704 529206778 /nfs/dbraw/zinc/20/67/78/529206778.db2.gz TZXHNRFUIWVQPD-CQSZACIVSA-N 1 0 241.444 3.784 20 0 BHADRO COc1ccc(CCC[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000481026417 533476736 /nfs/dbraw/zinc/47/67/36/533476736.db2.gz OTEOUXATFOFYSK-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(CCC[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000481026418 533474622 /nfs/dbraw/zinc/47/46/22/533474622.db2.gz OTEOUXATFOFYSK-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COc1cccc(C)c1)C1CC1 ZINC000481032339 529650317 /nfs/dbraw/zinc/65/03/17/529650317.db2.gz DKUHWJULGFKYFS-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COc1cccc(C)c1)C1CC1 ZINC000481032340 529664975 /nfs/dbraw/zinc/66/49/75/529664975.db2.gz DKUHWJULGFKYFS-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COc1cccc(C)c1)C1CC1 ZINC000481032341 529205443 /nfs/dbraw/zinc/20/54/43/529205443.db2.gz DKUHWJULGFKYFS-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COc1cccc(C)c1)C1CC1 ZINC000481032342 529200064 /nfs/dbraw/zinc/20/00/64/529200064.db2.gz DKUHWJULGFKYFS-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(CCC[N@@H+]2CCC23CCC3)c1 ZINC000481042109 225212345 /nfs/dbraw/zinc/21/23/45/225212345.db2.gz VWQNOQWCOQPUAY-UHFFFAOYSA-N 1 0 229.367 3.556 20 0 BHADRO Cc1cc(N2CCC[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000481060885 225212628 /nfs/dbraw/zinc/21/26/28/225212628.db2.gz QVGAKTRTDIBACY-CYBMUJFWSA-N 1 0 232.371 3.653 20 0 BHADRO Cc1cc(N2CCC[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000481060886 225212693 /nfs/dbraw/zinc/21/26/93/225212693.db2.gz QVGAKTRTDIBACY-ZDUSSCGKSA-N 1 0 232.371 3.653 20 0 BHADRO CC[N@H+](CCCc1cccc(C)c1)C1CCC1 ZINC000481064147 528473499 /nfs/dbraw/zinc/47/34/99/528473499.db2.gz XJSXMWBHXXHESP-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@@H](C(C)(C)C)C1 ZINC000481071855 225212375 /nfs/dbraw/zinc/21/23/75/225212375.db2.gz MEAZSNQWVJYFNI-CYBMUJFWSA-N 1 0 232.371 3.653 20 0 BHADRO Cc1c[nH+]ccc1N1CCC[C@H](C(C)(C)C)C1 ZINC000481071856 225212478 /nfs/dbraw/zinc/21/24/78/225212478.db2.gz MEAZSNQWVJYFNI-ZDUSSCGKSA-N 1 0 232.371 3.653 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)CCC2CC2)c1 ZINC000481074486 225212570 /nfs/dbraw/zinc/21/25/70/225212570.db2.gz MXOPYBYALZBVII-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO CC1=C(C)CN(c2cc[nH+]c3ccccc32)CC1 ZINC000481084265 528091624 /nfs/dbraw/zinc/09/16/24/528091624.db2.gz CIAURDCQIVBMNL-UHFFFAOYSA-N 1 0 238.334 3.781 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000481090310 529320148 /nfs/dbraw/zinc/32/01/48/529320148.db2.gz ISMYIVFMZNAWOR-GFCCVEGCSA-N 1 0 242.366 3.572 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000481090313 529659092 /nfs/dbraw/zinc/65/90/92/529659092.db2.gz ISMYIVFMZNAWOR-LBPRGKRZSA-N 1 0 242.366 3.572 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCc1cccc(C)c1 ZINC000481095394 529687875 /nfs/dbraw/zinc/68/78/75/529687875.db2.gz SDSKPJLFCNLWRF-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCc1cccc(C)c1 ZINC000481095401 529340973 /nfs/dbraw/zinc/34/09/73/529340973.db2.gz SDSKPJLFCNLWRF-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO CCCc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000481095458 528620593 /nfs/dbraw/zinc/62/05/93/528620593.db2.gz SJXITMSEILUEKD-UHFFFAOYSA-N 1 0 249.423 3.578 20 0 BHADRO CC[N@H+](CCCc1cccc(C)c1)CC1CC1 ZINC000481095850 528473589 /nfs/dbraw/zinc/47/35/89/528473589.db2.gz USGBBUYRYJYJAT-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1cccc(CCC[N@H+]2CC=C(C)CC2)c1 ZINC000481111845 225211926 /nfs/dbraw/zinc/21/19/26/225211926.db2.gz REQCDYXFNOHDNJ-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000481173943 528918599 /nfs/dbraw/zinc/91/85/99/528918599.db2.gz ILLLBCVQUHOOBY-HNNXBMFYSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000481173945 528923707 /nfs/dbraw/zinc/92/37/07/528923707.db2.gz ILLLBCVQUHOOBY-OAHLLOKOSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000481182160 529282591 /nfs/dbraw/zinc/28/25/91/529282591.db2.gz XGWZQRMGUYTVAR-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000481182161 529207102 /nfs/dbraw/zinc/20/71/02/529207102.db2.gz XGWZQRMGUYTVAR-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000481182164 529289687 /nfs/dbraw/zinc/28/96/87/529289687.db2.gz XGWZQRMGUYTVAR-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000481182165 529210896 /nfs/dbraw/zinc/21/08/96/529210896.db2.gz XGWZQRMGUYTVAR-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000481262469 529706693 /nfs/dbraw/zinc/70/66/93/529706693.db2.gz RHVFODBOMNDRDB-CHWSQXEVSA-N 1 0 233.355 3.849 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)o1 ZINC000481262470 529707148 /nfs/dbraw/zinc/70/71/48/529707148.db2.gz RHVFODBOMNDRDB-OLZOCXBDSA-N 1 0 233.355 3.849 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000481262471 529721294 /nfs/dbraw/zinc/72/12/94/529721294.db2.gz RHVFODBOMNDRDB-QWHCGFSZSA-N 1 0 233.355 3.849 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)o1 ZINC000481262472 529721575 /nfs/dbraw/zinc/72/15/75/529721575.db2.gz RHVFODBOMNDRDB-STQMWFEESA-N 1 0 233.355 3.849 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000481330768 528968113 /nfs/dbraw/zinc/96/81/13/528968113.db2.gz GPDZFPYLMDSDAX-GDBMZVCRSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000481330770 528968502 /nfs/dbraw/zinc/96/85/02/528968502.db2.gz GPDZFPYLMDSDAX-GOEBONIOSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000481330772 528832782 /nfs/dbraw/zinc/83/27/82/528832782.db2.gz GPDZFPYLMDSDAX-HOCLYGCPSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000481330773 528834039 /nfs/dbraw/zinc/83/40/39/528834039.db2.gz GPDZFPYLMDSDAX-ZBFHGGJFSA-N 1 0 249.398 3.851 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000481332846 225213921 /nfs/dbraw/zinc/21/39/21/225213921.db2.gz OOUOLUHYOUQCSE-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000481332847 225214126 /nfs/dbraw/zinc/21/41/26/225214126.db2.gz OOUOLUHYOUQCSE-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000481332848 225213488 /nfs/dbraw/zinc/21/34/88/225213488.db2.gz OOUOLUHYOUQCSE-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000481332849 225213505 /nfs/dbraw/zinc/21/35/05/225213505.db2.gz OOUOLUHYOUQCSE-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC000481345995 529337041 /nfs/dbraw/zinc/33/70/41/529337041.db2.gz SRJCIGUMAXNGIM-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC000481345996 529478164 /nfs/dbraw/zinc/47/81/64/529478164.db2.gz SRJCIGUMAXNGIM-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC000481345997 529483596 /nfs/dbraw/zinc/48/35/96/529483596.db2.gz SRJCIGUMAXNGIM-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1F ZINC000481345998 529341864 /nfs/dbraw/zinc/34/18/64/529341864.db2.gz SRJCIGUMAXNGIM-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000481347968 529337422 /nfs/dbraw/zinc/33/74/22/529337422.db2.gz WHZZTACHTCBRBN-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000481347969 529478060 /nfs/dbraw/zinc/47/80/60/529478060.db2.gz WHZZTACHTCBRBN-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000481347972 529483610 /nfs/dbraw/zinc/48/36/10/529483610.db2.gz WHZZTACHTCBRBN-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000481347974 529341464 /nfs/dbraw/zinc/34/14/64/529341464.db2.gz WHZZTACHTCBRBN-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(F)c1F ZINC000481376119 529337150 /nfs/dbraw/zinc/33/71/50/529337150.db2.gz USULJOKKRBPFGA-GWCFXTLKSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(F)c1F ZINC000481376121 529478066 /nfs/dbraw/zinc/47/80/66/529478066.db2.gz USULJOKKRBPFGA-GXFFZTMASA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(F)c1F ZINC000481376124 529341791 /nfs/dbraw/zinc/34/17/91/529341791.db2.gz USULJOKKRBPFGA-MFKMUULPSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(F)c1F ZINC000481376127 529483546 /nfs/dbraw/zinc/48/35/46/529483546.db2.gz USULJOKKRBPFGA-ZWNOBZJWSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCc1ccsc1 ZINC000481378902 529478196 /nfs/dbraw/zinc/47/81/96/529478196.db2.gz YJKXAVPFJHMWDT-GXTWGEPZSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCc1ccsc1 ZINC000481378903 529336974 /nfs/dbraw/zinc/33/69/74/529336974.db2.gz YJKXAVPFJHMWDT-JSGCOSHPSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCc1ccsc1 ZINC000481378904 529341478 /nfs/dbraw/zinc/34/14/78/529341478.db2.gz YJKXAVPFJHMWDT-OCCSQVGLSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCc1ccsc1 ZINC000481378905 529483566 /nfs/dbraw/zinc/48/35/66/529483566.db2.gz YJKXAVPFJHMWDT-TZMCWYRMSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cccc1F ZINC000481394534 529337110 /nfs/dbraw/zinc/33/71/10/529337110.db2.gz WFYOZCMNRWMOAX-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cccc1F ZINC000481394535 529478084 /nfs/dbraw/zinc/47/80/84/529478084.db2.gz WFYOZCMNRWMOAX-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cccc1F ZINC000481394536 529483353 /nfs/dbraw/zinc/48/33/53/529483353.db2.gz WFYOZCMNRWMOAX-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cccc1F ZINC000481394537 529341662 /nfs/dbraw/zinc/34/16/62/529341662.db2.gz WFYOZCMNRWMOAX-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCCC(F)(F)F ZINC000481394822 529483513 /nfs/dbraw/zinc/48/35/13/529483513.db2.gz YBQVFGHXHYOHIN-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCCC(F)(F)F ZINC000481394823 529341484 /nfs/dbraw/zinc/34/14/84/529341484.db2.gz YBQVFGHXHYOHIN-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCCC(F)(F)F ZINC000481394824 529337403 /nfs/dbraw/zinc/33/74/03/529337403.db2.gz YBQVFGHXHYOHIN-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCCC(F)(F)F ZINC000481394825 529477829 /nfs/dbraw/zinc/47/78/29/529477829.db2.gz YBQVFGHXHYOHIN-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@H](C)C(C)C)cc2c1C ZINC000481405597 533623184 /nfs/dbraw/zinc/62/31/84/533623184.db2.gz PFOYSWVHVNAMNA-GFCCVEGCSA-N 1 0 244.382 3.919 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)C(C)C)cc2c1C ZINC000481405641 533621037 /nfs/dbraw/zinc/62/10/37/533621037.db2.gz PFOYSWVHVNAMNA-LBPRGKRZSA-N 1 0 244.382 3.919 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000481412007 225215606 /nfs/dbraw/zinc/21/56/06/225215606.db2.gz FJWBZNWFLVGMNS-INIZCTEOSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000481412012 225214729 /nfs/dbraw/zinc/21/47/29/225214729.db2.gz FJWBZNWFLVGMNS-MRXNPFEDSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000481415351 533805128 /nfs/dbraw/zinc/80/51/28/533805128.db2.gz NSHMHZHQNXPNFX-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)C2(C)CC2)c(C)c1 ZINC000481415353 533806200 /nfs/dbraw/zinc/80/62/00/533806200.db2.gz NSHMHZHQNXPNFX-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)cc1C)C1CC1 ZINC000481415997 529606897 /nfs/dbraw/zinc/60/68/97/529606897.db2.gz PJRXYSGBAROEKZ-INIZCTEOSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)cc1C)C1CC1 ZINC000481416432 529169257 /nfs/dbraw/zinc/16/92/57/529169257.db2.gz PJRXYSGBAROEKZ-MRXNPFEDSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000481420894 533805021 /nfs/dbraw/zinc/80/50/21/533805021.db2.gz ZAFJEZGUPMUMJG-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000481420897 533805893 /nfs/dbraw/zinc/80/58/93/533805893.db2.gz ZAFJEZGUPMUMJG-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)COC)C1CCCCC1 ZINC000481422237 529011212 /nfs/dbraw/zinc/01/12/12/529011212.db2.gz KEEJFBKGRAZFNV-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)COC)C1CCCCC1 ZINC000481422239 528222413 /nfs/dbraw/zinc/22/24/13/528222413.db2.gz KEEJFBKGRAZFNV-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)COC)C1CCCCC1 ZINC000481422241 529009504 /nfs/dbraw/zinc/00/95/04/529009504.db2.gz KEEJFBKGRAZFNV-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)COC)C1CCCCC1 ZINC000481422244 528224279 /nfs/dbraw/zinc/22/42/79/528224279.db2.gz KEEJFBKGRAZFNV-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000481425986 529180796 /nfs/dbraw/zinc/18/07/96/529180796.db2.gz SLRXDSVDOIAFMZ-JTQLQIEISA-N 1 0 230.355 3.673 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000481425998 529374687 /nfs/dbraw/zinc/37/46/87/529374687.db2.gz SLRXDSVDOIAFMZ-SNVBAGLBSA-N 1 0 230.355 3.673 20 0 BHADRO CCC[N@H+](CC1CC1)[C@H]1CCCc2cccnc21 ZINC000481444069 528029021 /nfs/dbraw/zinc/02/90/21/528029021.db2.gz ZKIUQISOLZXWLI-HNNXBMFYSA-N 1 0 244.382 3.581 20 0 BHADRO CCC[N@H+](CC1CC1)[C@@H]1CCCc2cccnc21 ZINC000481444072 528028774 /nfs/dbraw/zinc/02/87/74/528028774.db2.gz ZKIUQISOLZXWLI-OAHLLOKOSA-N 1 0 244.382 3.581 20 0 BHADRO Fc1ccc([C@H]2CCC[N@H+](CC3CC3)CC2)cc1 ZINC000481512705 362639774 /nfs/dbraw/zinc/63/97/74/362639774.db2.gz BXSOIGJPBBJOEJ-AWEZNQCLSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@H+](CC3CC3)CC2)cc1 ZINC000481512718 362639460 /nfs/dbraw/zinc/63/94/60/362639460.db2.gz BXSOIGJPBBJOEJ-CQSZACIVSA-N 1 0 247.357 3.805 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000481573911 534155876 /nfs/dbraw/zinc/15/58/76/534155876.db2.gz UTEXKWYCINSUKW-LLVKDONJSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000481573912 225217473 /nfs/dbraw/zinc/21/74/73/225217473.db2.gz UTEXKWYCINSUKW-NSHDSACASA-N 1 0 239.309 3.587 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000481580297 534155914 /nfs/dbraw/zinc/15/59/14/534155914.db2.gz SPXIMYWGEWZCGR-LLVKDONJSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000481580298 225216913 /nfs/dbraw/zinc/21/69/13/225216913.db2.gz SPXIMYWGEWZCGR-NSHDSACASA-N 1 0 239.309 3.587 20 0 BHADRO C[C@@H]1CCCC[N@H+](CCCc2ccsc2)C1 ZINC000481584147 534156023 /nfs/dbraw/zinc/15/60/23/534156023.db2.gz ZAKCXCPTJIYAQV-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO C[C@H]1CCCC[N@H+](CCCc2ccsc2)C1 ZINC000481584148 225216858 /nfs/dbraw/zinc/21/68/58/225216858.db2.gz ZAKCXCPTJIYAQV-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO C[C@@H]1CCCC[N@H+](CCCCC(F)(F)F)C1 ZINC000481617250 534154982 /nfs/dbraw/zinc/15/49/82/534154982.db2.gz QAQZAQRIOGYOIV-LLVKDONJSA-N 1 0 237.309 3.841 20 0 BHADRO C[C@H]1CCCC[N@H+](CCCCC(F)(F)F)C1 ZINC000481617251 225217428 /nfs/dbraw/zinc/21/74/28/225217428.db2.gz QAQZAQRIOGYOIV-NSHDSACASA-N 1 0 237.309 3.841 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000481651310 528397059 /nfs/dbraw/zinc/39/70/59/528397059.db2.gz PYAJKZOGNXFXIF-BBRMVZONSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000481651311 528950968 /nfs/dbraw/zinc/95/09/68/528950968.db2.gz PYAJKZOGNXFXIF-CJNGLKHVSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000481651312 528950591 /nfs/dbraw/zinc/95/05/91/528950591.db2.gz PYAJKZOGNXFXIF-CZUORRHYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000481651313 528397327 /nfs/dbraw/zinc/39/73/27/528397327.db2.gz PYAJKZOGNXFXIF-XJKSGUPXSA-N 1 0 246.398 3.805 20 0 BHADRO Cc1cc2[nH]c(C[N@@H+](C)C(C)C)cc2c(C)c1 ZINC000481682606 225217498 /nfs/dbraw/zinc/21/74/98/225217498.db2.gz HLVITEIZMZDBFR-UHFFFAOYSA-N 1 0 230.355 3.625 20 0 BHADRO CC(C)CC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000481705952 527812473 /nfs/dbraw/zinc/81/24/73/527812473.db2.gz GJACGDZJRYSUSX-CYBMUJFWSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000481705960 527851941 /nfs/dbraw/zinc/85/19/41/527851941.db2.gz GJACGDZJRYSUSX-ZDUSSCGKSA-N 1 0 243.435 3.588 20 0 BHADRO CC[NH+](CC)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000481706492 528186463 /nfs/dbraw/zinc/18/64/63/528186463.db2.gz IQXGEDFWTBHEMM-UHFFFAOYSA-N 1 0 230.355 3.627 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccnc1 ZINC000481707972 533884921 /nfs/dbraw/zinc/88/49/21/533884921.db2.gz WHPABJNPDQIRJI-AJNGGQMLSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccnc1 ZINC000481707973 533881986 /nfs/dbraw/zinc/88/19/86/533881986.db2.gz WHPABJNPDQIRJI-KBXIAJHMSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccnc1 ZINC000481707974 533882164 /nfs/dbraw/zinc/88/21/64/533882164.db2.gz WHPABJNPDQIRJI-QPSCCSFWSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)c1cccnc1 ZINC000481707975 533885200 /nfs/dbraw/zinc/88/52/00/533885200.db2.gz WHPABJNPDQIRJI-XGUBFFRZSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)c1ccncc1 ZINC000481710532 533885328 /nfs/dbraw/zinc/88/53/28/533885328.db2.gz IVYXIAPBKIVTMT-FQLMCAECSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000481710534 533882438 /nfs/dbraw/zinc/88/24/38/533882438.db2.gz IVYXIAPBKIVTMT-HOSILWTGSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccncc1 ZINC000481710536 533882297 /nfs/dbraw/zinc/88/22/97/533882297.db2.gz IVYXIAPBKIVTMT-NYTXWWLZSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000481710537 533885291 /nfs/dbraw/zinc/88/52/91/533885291.db2.gz IVYXIAPBKIVTMT-YXWQFLTLSA-N 1 0 246.398 3.805 20 0 BHADRO CCCCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481718784 528185379 /nfs/dbraw/zinc/18/53/79/528185379.db2.gz AWLCXLUHVRGZPZ-UHFFFAOYSA-N 1 0 229.367 3.724 20 0 BHADRO c1ccc2c(c1)C[N@H+]([C@H]1C=CCCC1)CC21CC1 ZINC000481720383 225219432 /nfs/dbraw/zinc/21/94/32/225219432.db2.gz FTBAFDAIUKGQOW-HNNXBMFYSA-N 1 0 239.362 3.643 20 0 BHADRO c1ccc2c(c1)C[N@H+]([C@@H]1C=CCCC1)CC21CC1 ZINC000481720394 225218637 /nfs/dbraw/zinc/21/86/37/225218637.db2.gz FTBAFDAIUKGQOW-OAHLLOKOSA-N 1 0 239.362 3.643 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000481720972 528899390 /nfs/dbraw/zinc/89/93/90/528899390.db2.gz HFDVRSFKLXMUJE-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000481720986 528064672 /nfs/dbraw/zinc/06/46/72/528064672.db2.gz HFDVRSFKLXMUJE-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000481729602 529659380 /nfs/dbraw/zinc/65/93/80/529659380.db2.gz NGORVXGNHGVGDX-AXFHLTTASA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000481729603 529659374 /nfs/dbraw/zinc/65/93/74/529659374.db2.gz NGORVXGNHGVGDX-DCAQKATOSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000481729604 529658724 /nfs/dbraw/zinc/65/87/24/529658724.db2.gz NGORVXGNHGVGDX-GARJFASQSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000481729605 529659165 /nfs/dbraw/zinc/65/91/65/529659165.db2.gz NGORVXGNHGVGDX-HBNTYKKESA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481749014 527728959 /nfs/dbraw/zinc/72/89/59/527728959.db2.gz VFGDJTQRVHUGRZ-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H](CC)C2CC2)c1 ZINC000481749244 528691189 /nfs/dbraw/zinc/69/11/89/528691189.db2.gz XDEHMUQGTDZYHG-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H](CC)C2CC2)c1 ZINC000481749246 528689362 /nfs/dbraw/zinc/68/93/62/528689362.db2.gz XDEHMUQGTDZYHG-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H](CC)C2CC2)c1 ZINC000481749248 225219448 /nfs/dbraw/zinc/21/94/48/225219448.db2.gz XDEHMUQGTDZYHG-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](CC)C2CC2)c1 ZINC000481749249 225219069 /nfs/dbraw/zinc/21/90/69/225219069.db2.gz XDEHMUQGTDZYHG-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H](C[N@H+](CC)CCCOC)c1ccccc1 ZINC000481749381 529472284 /nfs/dbraw/zinc/47/22/84/529472284.db2.gz MXRLYHQGEWUZKM-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@H](C[N@H+](CC)CCCOC)c1ccccc1 ZINC000481749382 529334004 /nfs/dbraw/zinc/33/40/04/529334004.db2.gz MXRLYHQGEWUZKM-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@@H](C)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481749670 529319842 /nfs/dbraw/zinc/31/98/42/529319842.db2.gz WZDLYVQYOBNQRI-CYBMUJFWSA-N 1 0 229.367 3.580 20 0 BHADRO CC[C@H](C)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481749671 529658947 /nfs/dbraw/zinc/65/89/47/529658947.db2.gz WZDLYVQYOBNQRI-ZDUSSCGKSA-N 1 0 229.367 3.580 20 0 BHADRO CC[C@@H](C[N@H+](CC)CCCF)c1ccccc1 ZINC000481752672 529472548 /nfs/dbraw/zinc/47/25/48/529472548.db2.gz WIEDVYOZDRVGST-AWEZNQCLSA-N 1 0 237.362 3.862 20 0 BHADRO CC[C@H](C[N@H+](CC)CCCF)c1ccccc1 ZINC000481752723 529333992 /nfs/dbraw/zinc/33/39/92/529333992.db2.gz WIEDVYOZDRVGST-CQSZACIVSA-N 1 0 237.362 3.862 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000481758891 528790573 /nfs/dbraw/zinc/79/05/73/528790573.db2.gz DWYMSOGKJXMQFI-JBZXTQMFSA-N 1 0 239.403 3.526 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000481758892 528790715 /nfs/dbraw/zinc/79/07/15/528790715.db2.gz DWYMSOGKJXMQFI-JGUVHBTRSA-N 1 0 239.403 3.526 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000481758895 528771770 /nfs/dbraw/zinc/77/17/70/528771770.db2.gz DWYMSOGKJXMQFI-MUHKLVGJSA-N 1 0 239.403 3.526 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000481758897 528772391 /nfs/dbraw/zinc/77/23/91/528772391.db2.gz DWYMSOGKJXMQFI-XEVLESSRSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481780510 528985429 /nfs/dbraw/zinc/98/54/29/528985429.db2.gz BJHDKZXSIGTHFC-UHFFFAOYSA-N 1 0 235.758 3.838 20 0 BHADRO CCC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793256 528180485 /nfs/dbraw/zinc/18/04/85/528180485.db2.gz GYNITZVBBBDFGA-UHFFFAOYSA-N 1 0 235.758 3.839 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2F)C1)C1CC1 ZINC000481817150 225218784 /nfs/dbraw/zinc/21/87/84/225218784.db2.gz RMAHJICATOQVHD-FPMFFAJLSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1)C1CC1 ZINC000481817151 225219394 /nfs/dbraw/zinc/21/93/94/225219394.db2.gz RMAHJICATOQVHD-IACUBPJLSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2F)C1)C1CC1 ZINC000481817152 534013757 /nfs/dbraw/zinc/01/37/57/534013757.db2.gz RMAHJICATOQVHD-UBHSHLNASA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2F)C1)C1CC1 ZINC000481817153 534010605 /nfs/dbraw/zinc/01/06/05/534010605.db2.gz RMAHJICATOQVHD-YUTCNCBUSA-N 1 0 247.357 3.850 20 0 BHADRO Clc1ccc(C2CC[NH+](CC3CC3)CC2)cc1 ZINC000481819488 534637884 /nfs/dbraw/zinc/63/78/84/534637884.db2.gz AQPXPXCKIYKYIM-UHFFFAOYSA-N 1 0 249.785 3.929 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481824394 528067811 /nfs/dbraw/zinc/06/78/11/528067811.db2.gz NBSSZTISADUTOQ-CHWSQXEVSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481824397 528067938 /nfs/dbraw/zinc/06/79/38/528067938.db2.gz NBSSZTISADUTOQ-OLZOCXBDSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000481824399 528067164 /nfs/dbraw/zinc/06/71/64/528067164.db2.gz NBSSZTISADUTOQ-QWHCGFSZSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000481824401 528067650 /nfs/dbraw/zinc/06/76/50/528067650.db2.gz NBSSZTISADUTOQ-STQMWFEESA-N 1 0 235.346 3.707 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000481825867 534063333 /nfs/dbraw/zinc/06/33/33/534063333.db2.gz STKLMGGGMIYXHM-ILXRZTDVSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)nc1 ZINC000481825868 534063185 /nfs/dbraw/zinc/06/31/85/534063185.db2.gz STKLMGGGMIYXHM-KFWWJZLASA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)nc1 ZINC000481825869 534064136 /nfs/dbraw/zinc/06/41/36/534064136.db2.gz STKLMGGGMIYXHM-KKUMJFAQSA-N 1 0 246.398 3.552 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)nc1 ZINC000481825870 534064729 /nfs/dbraw/zinc/06/47/29/534064729.db2.gz STKLMGGGMIYXHM-ZNMIVQPWSA-N 1 0 246.398 3.552 20 0 BHADRO Fc1ccccc1[C@H]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000481839254 534534496 /nfs/dbraw/zinc/53/44/96/534534496.db2.gz SHXIZERRCVFNQS-GXTWGEPZSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccccc1[C@H]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000481839255 534533744 /nfs/dbraw/zinc/53/37/44/534533744.db2.gz SHXIZERRCVFNQS-JSGCOSHPSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccccc1[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000481839257 534532263 /nfs/dbraw/zinc/53/22/63/534532263.db2.gz SHXIZERRCVFNQS-OCCSQVGLSA-N 1 0 247.357 3.994 20 0 BHADRO Fc1ccccc1[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000481839259 534532667 /nfs/dbraw/zinc/53/26/67/534532667.db2.gz SHXIZERRCVFNQS-TZMCWYRMSA-N 1 0 247.357 3.994 20 0 BHADRO CC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C1CC1 ZINC000481887495 528768646 /nfs/dbraw/zinc/76/86/46/528768646.db2.gz AMPRIKCQYFKDDT-UHFFFAOYSA-N 1 0 242.366 3.769 20 0 BHADRO Cc1cc2[nH]c(C[N@H+](C)CC3CC3)cc2c(C)c1 ZINC000481889417 225218437 /nfs/dbraw/zinc/21/84/37/225218437.db2.gz GBUVGHSKVKCEJF-UHFFFAOYSA-N 1 0 242.366 3.627 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)C1CCCC1 ZINC000481895568 534246238 /nfs/dbraw/zinc/24/62/38/534246238.db2.gz PVOLYBXLTHJFLC-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)C1CCCC1 ZINC000481895569 225220998 /nfs/dbraw/zinc/22/09/98/225220998.db2.gz PVOLYBXLTHJFLC-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO Cc1cc2[nH]c(C[N@@H+](C)CC(C)C)cc2c(C)c1 ZINC000481906976 225220324 /nfs/dbraw/zinc/22/03/24/225220324.db2.gz SVLLUBJDVQEGNC-UHFFFAOYSA-N 1 0 244.382 3.873 20 0 BHADRO CCC[N@H+](C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000481909496 527854187 /nfs/dbraw/zinc/85/41/87/527854187.db2.gz ZKTZBRFXZZMTDF-UHFFFAOYSA-N 1 0 230.355 3.627 20 0 BHADRO CCCc1cccc(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000481914549 528633303 /nfs/dbraw/zinc/63/33/03/528633303.db2.gz AISNDHCRRAZJKN-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCCc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000481914550 528633295 /nfs/dbraw/zinc/63/32/95/528633295.db2.gz AISNDHCRRAZJKN-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000481918510 541490916 /nfs/dbraw/zinc/49/09/16/541490916.db2.gz HFFJYKHSHLSTGY-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000481918512 541491032 /nfs/dbraw/zinc/49/10/32/541491032.db2.gz HFFJYKHSHLSTGY-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(C)C)CC1 ZINC000481925948 534801700 /nfs/dbraw/zinc/80/17/00/534801700.db2.gz NNMKMCQAPMZHCC-AWEZNQCLSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@H](C)C(C)C)CC1 ZINC000481925949 534803065 /nfs/dbraw/zinc/80/30/65/534803065.db2.gz NNMKMCQAPMZHCC-CQSZACIVSA-N 1 0 231.383 3.661 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000481927065 533328999 /nfs/dbraw/zinc/32/89/99/533328999.db2.gz YYYTWSJGBBBHOW-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](C)CCC1CCCCC1 ZINC000481927066 533329101 /nfs/dbraw/zinc/32/91/01/533329101.db2.gz YYYTWSJGBBBHOW-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000481927068 533069731 /nfs/dbraw/zinc/06/97/31/533069731.db2.gz YYYTWSJGBBBHOW-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](C)CCC1CCCCC1 ZINC000481927069 533070533 /nfs/dbraw/zinc/07/05/33/533070533.db2.gz YYYTWSJGBBBHOW-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCc1cccc(C[N@H+](C)Cc2ccco2)c1 ZINC000481930937 528632240 /nfs/dbraw/zinc/63/22/40/528632240.db2.gz HNJLRIJVSDITTN-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000481932302 534802625 /nfs/dbraw/zinc/80/26/25/534802625.db2.gz COLWCNQMRPYVMU-AWEZNQCLSA-N 1 0 243.394 3.805 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@H](C)C2(C)CC2)CC1 ZINC000481932303 534803225 /nfs/dbraw/zinc/80/32/25/534803225.db2.gz COLWCNQMRPYVMU-CQSZACIVSA-N 1 0 243.394 3.805 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)OC)C1CCCCC1 ZINC000481934634 529008459 /nfs/dbraw/zinc/00/84/59/529008459.db2.gz VIEZYZJZMMKFFX-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)OC)C1CCCCC1 ZINC000481934635 528220900 /nfs/dbraw/zinc/22/09/00/528220900.db2.gz VIEZYZJZMMKFFX-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)OC)C1CCCCC1 ZINC000481934636 529008215 /nfs/dbraw/zinc/00/82/15/529008215.db2.gz VIEZYZJZMMKFFX-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)OC)C1CCCCC1 ZINC000481934638 528220263 /nfs/dbraw/zinc/22/02/63/528220263.db2.gz VIEZYZJZMMKFFX-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]([NH2+]CC1(c2ccccc2C)CC1)C1CC1 ZINC000481936120 529593791 /nfs/dbraw/zinc/59/37/91/529593791.db2.gz QJIAKQMMJFINGP-INIZCTEOSA-N 1 0 243.394 3.805 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2ccccc2C)CC1)C1CC1 ZINC000481936121 529157954 /nfs/dbraw/zinc/15/79/54/529157954.db2.gz QJIAKQMMJFINGP-MRXNPFEDSA-N 1 0 243.394 3.805 20 0 BHADRO CCCc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000481986902 528632409 /nfs/dbraw/zinc/63/24/09/528632409.db2.gz UVUOIWQZIMHLAV-UHFFFAOYSA-N 1 0 229.367 3.768 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000481987122 528534246 /nfs/dbraw/zinc/53/42/46/528534246.db2.gz AMESYWDDBKFJIO-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000481987123 528532627 /nfs/dbraw/zinc/53/26/27/528532627.db2.gz AMESYWDDBKFJIO-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccn1 ZINC000481987942 533884476 /nfs/dbraw/zinc/88/44/76/533884476.db2.gz AFOBKPJYCPSFHS-AJNGGQMLSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccn1 ZINC000481987944 533883216 /nfs/dbraw/zinc/88/32/16/533883216.db2.gz AFOBKPJYCPSFHS-KBXIAJHMSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000481987946 533882256 /nfs/dbraw/zinc/88/22/56/533882256.db2.gz AFOBKPJYCPSFHS-QPSCCSFWSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccn1 ZINC000481987948 533885655 /nfs/dbraw/zinc/88/56/55/533885655.db2.gz AFOBKPJYCPSFHS-XGUBFFRZSA-N 1 0 246.398 3.805 20 0 BHADRO CCCc1cccc(C[N@H+](C)Cc2ccc[nH]2)c1 ZINC000481989584 528632306 /nfs/dbraw/zinc/63/23/06/528632306.db2.gz JGDAWLUKKVEQKT-UHFFFAOYSA-N 1 0 242.366 3.599 20 0 BHADRO Cc1cc2[nH]c(C[N@@H+](C)C3CCC3)cc2c(C)c1 ZINC000481997062 225219956 /nfs/dbraw/zinc/21/99/56/225219956.db2.gz GCKAWMOQYNDPNO-UHFFFAOYSA-N 1 0 242.366 3.769 20 0 BHADRO CC[N@H+](C[C@@H](C)Cc1ccccc1)CC1CC1 ZINC000481997314 528647650 /nfs/dbraw/zinc/64/76/50/528647650.db2.gz GVQBCYRIBAOQON-AWEZNQCLSA-N 1 0 231.383 3.597 20 0 BHADRO CC[N@H+](C[C@H](C)Cc1ccccc1)CC1CC1 ZINC000481997315 528719430 /nfs/dbraw/zinc/71/94/30/528719430.db2.gz GVQBCYRIBAOQON-CQSZACIVSA-N 1 0 231.383 3.597 20 0 BHADRO Cc1cc2[nH]c(C[N@H+]3CC[C@@H](C)C3)cc2c(C)c1 ZINC000481997465 225221887 /nfs/dbraw/zinc/22/18/87/225221887.db2.gz FWFAKHVLSRUGLS-LLVKDONJSA-N 1 0 242.366 3.627 20 0 BHADRO Cc1cc2[nH]c(C[N@H+]3CC[C@H](C)C3)cc2c(C)c1 ZINC000481997466 225221377 /nfs/dbraw/zinc/22/13/77/225221377.db2.gz FWFAKHVLSRUGLS-NSHDSACASA-N 1 0 242.366 3.627 20 0 BHADRO Cc1cc2[nH]c(C[N@H+]3CCC[C@H]3C)cc2c(C)c1 ZINC000481999742 225222446 /nfs/dbraw/zinc/22/24/46/225222446.db2.gz QHQYWCRKSIQSQB-CYBMUJFWSA-N 1 0 242.366 3.769 20 0 BHADRO Cc1cc2[nH]c(C[N@H+]3CCC[C@@H]3C)cc2c(C)c1 ZINC000481999744 225222103 /nfs/dbraw/zinc/22/21/03/225222103.db2.gz QHQYWCRKSIQSQB-ZDUSSCGKSA-N 1 0 242.366 3.769 20 0 BHADRO CCCc1cccc(C[N@H+](C)C2CCC2)c1 ZINC000481999807 528632392 /nfs/dbraw/zinc/63/23/92/528632392.db2.gz QTDUATNPZZUABY-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccs1)Cc1ccccc1 ZINC000482003264 534062236 /nfs/dbraw/zinc/06/22/36/534062236.db2.gz DNWKNGHDUXMVBG-CYBMUJFWSA-N 1 0 245.391 3.717 20 0 BHADRO C[C@H](C[NH2+]Cc1cccs1)Cc1ccccc1 ZINC000482003265 225222015 /nfs/dbraw/zinc/22/20/15/225222015.db2.gz DNWKNGHDUXMVBG-ZDUSSCGKSA-N 1 0 245.391 3.717 20 0 BHADRO CC[C@H]([NH2+]CCCOc1ccc(C)cc1)C1CC1 ZINC000482009465 529599219 /nfs/dbraw/zinc/59/92/19/529599219.db2.gz PLRBVLZVNWTNNL-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCCOc1ccc(C)cc1)C1CC1 ZINC000482009466 529162400 /nfs/dbraw/zinc/16/24/00/529162400.db2.gz PLRBVLZVNWTNNL-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO CC1=CC[N@H+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000482009937 528121539 /nfs/dbraw/zinc/12/15/39/528121539.db2.gz QIKGGKBHJGVLRV-HNNXBMFYSA-N 1 0 229.367 3.517 20 0 BHADRO CC1=CC[N@H+](C[C@H](C)Cc2ccccc2)CC1 ZINC000482009938 528120750 /nfs/dbraw/zinc/12/07/50/528120750.db2.gz QIKGGKBHJGVLRV-OAHLLOKOSA-N 1 0 229.367 3.517 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000482037303 225222088 /nfs/dbraw/zinc/22/20/88/225222088.db2.gz DNQOYDMLJXPRAV-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000482037304 225222340 /nfs/dbraw/zinc/22/23/40/225222340.db2.gz DNQOYDMLJXPRAV-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C=CCCC1)Cc1ccccc1 ZINC000482055152 534079619 /nfs/dbraw/zinc/07/96/19/534079619.db2.gz KXAVJVJYRLHZMF-GDBMZVCRSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C=CCCC1)Cc1ccccc1 ZINC000482055153 225221502 /nfs/dbraw/zinc/22/15/02/225221502.db2.gz KXAVJVJYRLHZMF-GOEBONIOSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@H](C[NH2+][C@H]1C=CCCC1)Cc1ccccc1 ZINC000482055154 225221261 /nfs/dbraw/zinc/22/12/61/225221261.db2.gz KXAVJVJYRLHZMF-HOCLYGCPSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C=CCCC1)Cc1ccccc1 ZINC000482055155 534083733 /nfs/dbraw/zinc/08/37/33/534083733.db2.gz KXAVJVJYRLHZMF-ZBFHGGJFSA-N 1 0 229.367 3.564 20 0 BHADRO CC[N@H+](C)CCCc1c(Cl)cccc1Cl ZINC000482071894 527793725 /nfs/dbraw/zinc/79/37/25/527793725.db2.gz SGKIZVAAMIMVLU-UHFFFAOYSA-N 1 0 246.181 3.878 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000482076592 528164134 /nfs/dbraw/zinc/16/41/34/528164134.db2.gz DLJJZCMFZHPFCR-CEUNDQEZSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000482076594 528164352 /nfs/dbraw/zinc/16/43/52/528164352.db2.gz DLJJZCMFZHPFCR-DKNRTOFZSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000482076595 528164076 /nfs/dbraw/zinc/16/40/76/528164076.db2.gz DLJJZCMFZHPFCR-QPPOZKHWSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000482076597 528163314 /nfs/dbraw/zinc/16/33/14/528163314.db2.gz DLJJZCMFZHPFCR-YIFLHPOLSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482083225 529183531 /nfs/dbraw/zinc/18/35/31/529183531.db2.gz QXQJZYGAPOZDAG-AVGNSLFASA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482083226 529182256 /nfs/dbraw/zinc/18/22/56/529182256.db2.gz QXQJZYGAPOZDAG-RWMBFGLXSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482083228 529183588 /nfs/dbraw/zinc/18/35/88/529183588.db2.gz QXQJZYGAPOZDAG-XQQFMLRXSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482083230 529182693 /nfs/dbraw/zinc/18/26/93/529182693.db2.gz QXQJZYGAPOZDAG-YNEHKIRRSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000482101415 528076829 /nfs/dbraw/zinc/07/68/29/528076829.db2.gz QIKBXVXHLFNCPH-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000482101417 528077204 /nfs/dbraw/zinc/07/72/04/528077204.db2.gz QIKBXVXHLFNCPH-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000482101419 528077332 /nfs/dbraw/zinc/07/73/32/528077332.db2.gz QIKBXVXHLFNCPH-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000482101422 528076911 /nfs/dbraw/zinc/07/69/11/528076911.db2.gz QIKBXVXHLFNCPH-YJNKXOJESA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000482103567 533070814 /nfs/dbraw/zinc/07/08/14/533070814.db2.gz CQKWJWPTSKBKFO-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000482103568 533070732 /nfs/dbraw/zinc/07/07/32/533070732.db2.gz CQKWJWPTSKBKFO-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000482103569 533070352 /nfs/dbraw/zinc/07/03/52/533070352.db2.gz CQKWJWPTSKBKFO-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000482103570 533070741 /nfs/dbraw/zinc/07/07/41/533070741.db2.gz CQKWJWPTSKBKFO-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000482106809 529589624 /nfs/dbraw/zinc/58/96/24/529589624.db2.gz CKIVPFVKOLAXKQ-HNNXBMFYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000482106810 529155014 /nfs/dbraw/zinc/15/50/14/529155014.db2.gz CKIVPFVKOLAXKQ-OAHLLOKOSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)C1(C)CC1 ZINC000482110201 533353302 /nfs/dbraw/zinc/35/33/02/533353302.db2.gz NQCUIQFEBLBPFM-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccccc1F)C1(C)CC1 ZINC000482110203 225222345 /nfs/dbraw/zinc/22/23/45/225222345.db2.gz NQCUIQFEBLBPFM-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000482119670 528419599 /nfs/dbraw/zinc/41/95/99/528419599.db2.gz HYCGQWHZOXOJEG-CYBMUJFWSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000482119671 528970858 /nfs/dbraw/zinc/97/08/58/528970858.db2.gz HYCGQWHZOXOJEG-ZDUSSCGKSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc2c(CC[NH2+][C@H](C)C(C)C)c[nH]c2c1 ZINC000482135919 225223103 /nfs/dbraw/zinc/22/31/03/225223103.db2.gz PAHQTTSOSIEUEQ-CYBMUJFWSA-N 1 0 244.382 3.653 20 0 BHADRO Cc1ccc2c(CC[NH2+][C@@H](C)C(C)C)c[nH]c2c1 ZINC000482135920 225222807 /nfs/dbraw/zinc/22/28/07/225222807.db2.gz PAHQTTSOSIEUEQ-ZDUSSCGKSA-N 1 0 244.382 3.653 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000482137578 528419785 /nfs/dbraw/zinc/41/97/85/528419785.db2.gz RGSLCYQHKJALBC-GFCCVEGCSA-N 1 0 237.362 3.737 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000482137579 528970614 /nfs/dbraw/zinc/97/06/14/528970614.db2.gz RGSLCYQHKJALBC-LBPRGKRZSA-N 1 0 237.362 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)CC[N@H+](C)Cc1cc[nH]n1 ZINC000482156005 527418382 /nfs/dbraw/zinc/41/83/82/527418382.db2.gz HMWHRWWFGGOMID-AWEZNQCLSA-N 1 0 249.402 3.614 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[N@H+](C)Cc1cc[nH]n1 ZINC000482156006 527409650 /nfs/dbraw/zinc/40/96/50/527409650.db2.gz HMWHRWWFGGOMID-CQSZACIVSA-N 1 0 249.402 3.614 20 0 BHADRO CC[C@](C)(O)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482167607 529378111 /nfs/dbraw/zinc/37/81/11/529378111.db2.gz XMCQXZOGRUAMBC-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@](C)(O)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482167608 529377755 /nfs/dbraw/zinc/37/77/55/529377755.db2.gz XMCQXZOGRUAMBC-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@](C)(O)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482167610 529512438 /nfs/dbraw/zinc/51/24/38/529512438.db2.gz XMCQXZOGRUAMBC-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@](C)(O)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482167611 529512027 /nfs/dbraw/zinc/51/20/27/529512027.db2.gz XMCQXZOGRUAMBC-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000482198465 534055657 /nfs/dbraw/zinc/05/56/57/534055657.db2.gz KITFGIJKWRNCHZ-CYBMUJFWSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@H](C[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000482198466 225223371 /nfs/dbraw/zinc/22/33/71/225223371.db2.gz KITFGIJKWRNCHZ-ZDUSSCGKSA-N 1 0 243.394 3.643 20 0 BHADRO COCC(C)(C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482218794 225222928 /nfs/dbraw/zinc/22/29/28/225222928.db2.gz IOENWQAGSYMPAI-AWEZNQCLSA-N 1 0 241.419 3.774 20 0 BHADRO COCC(C)(C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482218795 225223007 /nfs/dbraw/zinc/22/30/07/225223007.db2.gz IOENWQAGSYMPAI-CQSZACIVSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C(C)(C)[C@H](C)O ZINC000482220194 527419658 /nfs/dbraw/zinc/41/96/58/527419658.db2.gz MMVBCCDLXVUDMB-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C(C)(C)[C@H](C)O ZINC000482220197 527410362 /nfs/dbraw/zinc/41/03/62/527410362.db2.gz MMVBCCDLXVUDMB-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C(C)(C)[C@@H](C)O ZINC000482220200 527420159 /nfs/dbraw/zinc/42/01/59/527420159.db2.gz MMVBCCDLXVUDMB-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C(C)(C)[C@@H](C)O ZINC000482220201 527409194 /nfs/dbraw/zinc/40/91/94/527409194.db2.gz MMVBCCDLXVUDMB-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H](C)Cc2ccccc2)c1 ZINC000482220703 225223454 /nfs/dbraw/zinc/22/34/54/225223454.db2.gz UIFXHUJDBKVAKN-AWEZNQCLSA-N 1 0 240.350 3.681 20 0 BHADRO Cc1cc[nH+]c(NC[C@H](C)Cc2ccccc2)c1 ZINC000482220704 225223125 /nfs/dbraw/zinc/22/31/25/225223125.db2.gz UIFXHUJDBKVAKN-CQSZACIVSA-N 1 0 240.350 3.681 20 0 BHADRO CC[C@@](C)(CO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482233132 529501760 /nfs/dbraw/zinc/50/17/60/529501760.db2.gz DTECIFVLYYRKSV-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@](C)(CO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482233133 529501607 /nfs/dbraw/zinc/50/16/07/529501607.db2.gz DTECIFVLYYRKSV-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@](C)(CO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482233135 529365449 /nfs/dbraw/zinc/36/54/49/529365449.db2.gz DTECIFVLYYRKSV-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@](C)(CO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482233136 529365088 /nfs/dbraw/zinc/36/50/88/529365088.db2.gz DTECIFVLYYRKSV-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCCOC1 ZINC000482236932 527410314 /nfs/dbraw/zinc/41/03/14/527410314.db2.gz VWVQYUNJFBNNDW-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCCOC1 ZINC000482236934 527420453 /nfs/dbraw/zinc/42/04/53/527420453.db2.gz VWVQYUNJFBNNDW-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCCOC1 ZINC000482236935 527410286 /nfs/dbraw/zinc/41/02/86/527410286.db2.gz VWVQYUNJFBNNDW-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCCOC1 ZINC000482236937 527420558 /nfs/dbraw/zinc/42/05/58/527420558.db2.gz VWVQYUNJFBNNDW-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000482237584 528971988 /nfs/dbraw/zinc/97/19/88/528971988.db2.gz JYZLMVGLAPFNBZ-KBPBESRZSA-N 1 0 233.399 3.987 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000482237601 528420852 /nfs/dbraw/zinc/42/08/52/528420852.db2.gz JYZLMVGLAPFNBZ-KGLIPLIRSA-N 1 0 233.399 3.987 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000482237603 528972429 /nfs/dbraw/zinc/97/24/29/528972429.db2.gz JYZLMVGLAPFNBZ-UONOGXRCSA-N 1 0 233.399 3.987 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000482237605 528421191 /nfs/dbraw/zinc/42/11/91/528421191.db2.gz JYZLMVGLAPFNBZ-ZIAGYGMSSA-N 1 0 233.399 3.987 20 0 BHADRO CC[C@@H](CCO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482242679 529471000 /nfs/dbraw/zinc/47/10/00/529471000.db2.gz UOQVMBWUCCUADP-CABCVRRESA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@@H](CCO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482242682 529470882 /nfs/dbraw/zinc/47/08/82/529470882.db2.gz UOQVMBWUCCUADP-GJZGRUSLSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@H](CCO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482242684 529331450 /nfs/dbraw/zinc/33/14/50/529331450.db2.gz UOQVMBWUCCUADP-HUUCEWRRSA-N 1 0 241.419 3.510 20 0 BHADRO CC[C@H](CCO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482242685 529331736 /nfs/dbraw/zinc/33/17/36/529331736.db2.gz UOQVMBWUCCUADP-LSDHHAIUSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CCC(C)(C)O ZINC000482243331 527419866 /nfs/dbraw/zinc/41/98/66/527419866.db2.gz MFRWUKIUWXNYFM-AWEZNQCLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CCC(C)(C)O ZINC000482243332 527409341 /nfs/dbraw/zinc/40/93/41/527409341.db2.gz MFRWUKIUWXNYFM-CQSZACIVSA-N 1 0 241.419 3.510 20 0 BHADRO COC(C)(C)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482243423 225224529 /nfs/dbraw/zinc/22/45/29/225224529.db2.gz VNBHKXRPYYTZAD-AWEZNQCLSA-N 1 0 241.419 3.774 20 0 BHADRO COC(C)(C)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482243424 225224032 /nfs/dbraw/zinc/22/40/32/225224032.db2.gz VNBHKXRPYYTZAD-CQSZACIVSA-N 1 0 241.419 3.774 20 0 BHADRO CCOC[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482245666 528975585 /nfs/dbraw/zinc/97/55/85/528975585.db2.gz ONMPWGGOIUWAHT-CABCVRRESA-N 1 0 241.419 3.774 20 0 BHADRO CCOC[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482245667 528976397 /nfs/dbraw/zinc/97/63/97/528976397.db2.gz ONMPWGGOIUWAHT-GJZGRUSLSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]C(C)(C)CCO ZINC000482250824 527420051 /nfs/dbraw/zinc/42/00/51/527420051.db2.gz VDVLQEHWTGZDIK-AWEZNQCLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C(C)(C)CCO ZINC000482250825 527409794 /nfs/dbraw/zinc/40/97/94/527409794.db2.gz VDVLQEHWTGZDIK-CQSZACIVSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]CCOC(C)C ZINC000482251871 527420396 /nfs/dbraw/zinc/42/03/96/527420396.db2.gz GCOSDLGEOLUEDG-HNNXBMFYSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]CCOC(C)C ZINC000482251872 527410631 /nfs/dbraw/zinc/41/06/31/527410631.db2.gz GCOSDLGEOLUEDG-OAHLLOKOSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@]1(C)CCOC1 ZINC000482252037 527409451 /nfs/dbraw/zinc/40/94/51/527409451.db2.gz HUFKXCYWQNCNFF-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@]1(C)CCOC1 ZINC000482252038 527419662 /nfs/dbraw/zinc/41/96/62/527419662.db2.gz HUFKXCYWQNCNFF-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@]1(C)CCOC1 ZINC000482252039 527410583 /nfs/dbraw/zinc/41/05/83/527410583.db2.gz HUFKXCYWQNCNFF-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@]1(C)CCOC1 ZINC000482252040 527421401 /nfs/dbraw/zinc/42/14/01/527421401.db2.gz HUFKXCYWQNCNFF-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)C[C@H](C)O ZINC000482253385 527419761 /nfs/dbraw/zinc/41/97/61/527419761.db2.gz QEXKRACQBYUUPU-KKUMJFAQSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)C[C@@H](C)O ZINC000482253387 527419845 /nfs/dbraw/zinc/41/98/45/527419845.db2.gz QEXKRACQBYUUPU-RRFJBIMHSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)C[C@@H](C)O ZINC000482253388 527419524 /nfs/dbraw/zinc/41/95/24/527419524.db2.gz QEXKRACQBYUUPU-SOUVJXGZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)C[C@H](C)O ZINC000482253389 527419609 /nfs/dbraw/zinc/41/96/09/527419609.db2.gz QEXKRACQBYUUPU-ZNMIVQPWSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000482253806 527419368 /nfs/dbraw/zinc/41/93/68/527419368.db2.gz HKLXXROZFGYVPG-KBPBESRZSA-N 1 0 249.402 3.833 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000482253807 527410423 /nfs/dbraw/zinc/41/04/23/527410423.db2.gz HKLXXROZFGYVPG-KGLIPLIRSA-N 1 0 249.402 3.833 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000482253808 527420256 /nfs/dbraw/zinc/42/02/56/527420256.db2.gz HKLXXROZFGYVPG-UONOGXRCSA-N 1 0 249.402 3.833 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000482253809 527409993 /nfs/dbraw/zinc/40/99/93/527409993.db2.gz HKLXXROZFGYVPG-ZIAGYGMSSA-N 1 0 249.402 3.833 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)C1CCCCC1 ZINC000482256104 528239301 /nfs/dbraw/zinc/23/93/01/528239301.db2.gz BDTCSHYEGMEZSG-IPYPFGDCSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000482256105 528238984 /nfs/dbraw/zinc/23/89/84/528238984.db2.gz BDTCSHYEGMEZSG-NFAWXSAZSA-N 1 0 241.419 3.748 20 0 BHADRO COCC[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482258991 225224613 /nfs/dbraw/zinc/22/46/13/225224613.db2.gz RMTVKFVZLHKGJE-CABCVRRESA-N 1 0 241.419 3.774 20 0 BHADRO COCC[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482258993 225224334 /nfs/dbraw/zinc/22/43/34/225224334.db2.gz RMTVKFVZLHKGJE-GJZGRUSLSA-N 1 0 241.419 3.774 20 0 BHADRO COCC[C@@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000482258994 225224397 /nfs/dbraw/zinc/22/43/97/225224397.db2.gz RMTVKFVZLHKGJE-HUUCEWRRSA-N 1 0 241.419 3.774 20 0 BHADRO COCC[C@@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000482258996 225224053 /nfs/dbraw/zinc/22/40/53/225224053.db2.gz RMTVKFVZLHKGJE-LSDHHAIUSA-N 1 0 241.419 3.774 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000482287655 534154902 /nfs/dbraw/zinc/15/49/02/534154902.db2.gz RYPRPZBKNPWEGK-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000482287656 225224820 /nfs/dbraw/zinc/22/48/20/225224820.db2.gz RYPRPZBKNPWEGK-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H](C)C2)s1 ZINC000482291188 533919407 /nfs/dbraw/zinc/91/94/07/533919407.db2.gz OXGKYDKAGHVMRG-LLVKDONJSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H](C)C2)s1 ZINC000482291744 533924628 /nfs/dbraw/zinc/92/46/28/533924628.db2.gz OXGKYDKAGHVMRG-NSHDSACASA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccsc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000482296385 534468884 /nfs/dbraw/zinc/46/88/84/534468884.db2.gz MKYWFGVWAGZNCB-LLVKDONJSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccsc1C[N@H+]1CCCC[C@H](C)C1 ZINC000482296387 534470475 /nfs/dbraw/zinc/47/04/75/534470475.db2.gz MKYWFGVWAGZNCB-NSHDSACASA-N 1 0 223.385 3.679 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000482298375 534156168 /nfs/dbraw/zinc/15/61/68/534156168.db2.gz PZLXTTDMKRUKIH-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000482298377 225225053 /nfs/dbraw/zinc/22/50/53/225225053.db2.gz PZLXTTDMKRUKIH-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO CCC(CC)C[NH2+]C1(Cc2ccccc2)CC1 ZINC000482306616 528762574 /nfs/dbraw/zinc/76/25/74/528762574.db2.gz JQHIAYQAOJSOIB-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000482326374 529374451 /nfs/dbraw/zinc/37/44/51/529374451.db2.gz LPUPXSNEGVRCGL-LLVKDONJSA-N 1 0 244.382 3.981 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000482326375 529180939 /nfs/dbraw/zinc/18/09/39/529180939.db2.gz LPUPXSNEGVRCGL-NSHDSACASA-N 1 0 244.382 3.981 20 0 BHADRO CCC(CC)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000482434243 528753374 /nfs/dbraw/zinc/75/33/74/528753374.db2.gz FXDPEVVTKCNSJB-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482438445 533728954 /nfs/dbraw/zinc/72/89/54/533728954.db2.gz MFYZRMONPUJUTA-AAVRWANBSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482438447 533730732 /nfs/dbraw/zinc/73/07/32/533730732.db2.gz MFYZRMONPUJUTA-RQJABVFESA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482438449 533728454 /nfs/dbraw/zinc/72/84/54/533728454.db2.gz MFYZRMONPUJUTA-SYQHCUMBSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482438452 533728114 /nfs/dbraw/zinc/72/81/14/533728114.db2.gz MFYZRMONPUJUTA-XJFOESAGSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000482442431 529590085 /nfs/dbraw/zinc/59/00/85/529590085.db2.gz YYPLHODBQNQXGP-HNNXBMFYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000482442432 529155791 /nfs/dbraw/zinc/15/57/91/529155791.db2.gz YYPLHODBQNQXGP-OAHLLOKOSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1(C)CC1 ZINC000482442884 533353319 /nfs/dbraw/zinc/35/33/19/533353319.db2.gz ZPNBJGVDUCBVDX-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)C1(C)CC1 ZINC000482442885 225226411 /nfs/dbraw/zinc/22/64/11/225226411.db2.gz ZPNBJGVDUCBVDX-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1 ZINC000482442965 533918044 /nfs/dbraw/zinc/91/80/44/533918044.db2.gz DUOXMDZCMFHXCX-UHFFFAOYSA-N 1 0 215.340 3.537 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000482446168 533386240 /nfs/dbraw/zinc/38/62/40/533386240.db2.gz CDRNUVBNJVGORE-UHFFFAOYSA-N 1 0 245.366 3.546 20 0 BHADRO CCOc1cccc(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000482446175 225225828 /nfs/dbraw/zinc/22/58/28/225225828.db2.gz CEQSNWXBOWZROD-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](CC1CCCC1)C2 ZINC000482447386 534424571 /nfs/dbraw/zinc/42/45/71/534424571.db2.gz MDXMTVZREOSMMK-UHFFFAOYSA-N 1 0 215.340 3.501 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000482449931 528419134 /nfs/dbraw/zinc/41/91/34/528419134.db2.gz QOUGGUCBRFLMIB-GFCCVEGCSA-N 1 0 237.362 3.737 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000482449935 528971431 /nfs/dbraw/zinc/97/14/31/528971431.db2.gz QOUGGUCBRFLMIB-LBPRGKRZSA-N 1 0 237.362 3.737 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000482453146 528090747 /nfs/dbraw/zinc/09/07/47/528090747.db2.gz CADJSBTXIXOKIP-UHFFFAOYSA-N 1 0 237.293 3.507 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000482453704 528091023 /nfs/dbraw/zinc/09/10/23/528091023.db2.gz CUEUKRUDSPIRKY-UHFFFAOYSA-N 1 0 240.350 3.710 20 0 BHADRO CCOc1ccccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000482453898 225226039 /nfs/dbraw/zinc/22/60/39/225226039.db2.gz LXJWBPOPXLVUOA-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC(C)=C(C)C2)s1 ZINC000482454436 533917179 /nfs/dbraw/zinc/91/71/79/533917179.db2.gz DLUHTWLMIOLCLL-UHFFFAOYSA-N 1 0 221.369 3.599 20 0 BHADRO CCOc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1 ZINC000482454445 528432567 /nfs/dbraw/zinc/43/25/67/528432567.db2.gz DPIFQMLLLCSJSN-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000482454890 225226536 /nfs/dbraw/zinc/22/65/36/225226536.db2.gz FMEGIPUCHPHOPJ-UHFFFAOYSA-N 1 0 215.340 3.537 20 0 BHADRO CC1=C(C)C[N@H+](C/C=C\c2ccc(F)cc2)CC1 ZINC000482455506 528090723 /nfs/dbraw/zinc/09/07/23/528090723.db2.gz GDQTWWAIZMUTOW-ARJAWSKDSA-N 1 0 245.341 3.881 20 0 BHADRO CC1=C(C)C[N@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000482455507 528091035 /nfs/dbraw/zinc/09/10/35/528091035.db2.gz GDQTWWAIZMUTOW-ONEGZZNKSA-N 1 0 245.341 3.881 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000482455520 528090668 /nfs/dbraw/zinc/09/06/68/528090668.db2.gz GGUFZWZIBMTKDW-UHFFFAOYSA-N 1 0 237.293 3.507 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000482455559 528878032 /nfs/dbraw/zinc/87/80/32/528878032.db2.gz QCVPIZZRKYSKHB-CYBMUJFWSA-N 1 0 217.356 3.747 20 0 BHADRO CCC[C@H](C)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000482455561 528032958 /nfs/dbraw/zinc/03/29/58/528032958.db2.gz QCVPIZZRKYSKHB-ZDUSSCGKSA-N 1 0 217.356 3.747 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000482456609 534812463 /nfs/dbraw/zinc/81/24/63/534812463.db2.gz HZZFEVXCQCGRAE-UHFFFAOYSA-N 1 0 215.340 3.537 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000482456653 528091067 /nfs/dbraw/zinc/09/10/67/528091067.db2.gz IIOYTOFPYQGOCC-UHFFFAOYSA-N 1 0 241.787 3.944 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000482457525 534469807 /nfs/dbraw/zinc/46/98/07/534469807.db2.gz KEHNLNGUCCEKOO-UHFFFAOYSA-N 1 0 221.369 3.599 20 0 BHADRO CC1=C(C)C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000482458269 528090436 /nfs/dbraw/zinc/09/04/36/528090436.db2.gz LJPGNODSXMJURN-DLBZAZTESA-N 1 0 241.378 3.832 20 0 BHADRO CC1=C(C)C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000482458270 528089716 /nfs/dbraw/zinc/08/97/16/528089716.db2.gz LJPGNODSXMJURN-IAGOWNOFSA-N 1 0 241.378 3.832 20 0 BHADRO CC1=C(C)C[N@H+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000482458271 528089742 /nfs/dbraw/zinc/08/97/42/528089742.db2.gz LJPGNODSXMJURN-SJORKVTESA-N 1 0 241.378 3.832 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000482458330 528091225 /nfs/dbraw/zinc/09/12/25/528091225.db2.gz LZWNFBKCWDESNH-UHFFFAOYSA-N 1 0 241.334 3.975 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000482458508 534424646 /nfs/dbraw/zinc/42/46/46/534424646.db2.gz XUPUFAOXROBAQC-AWEZNQCLSA-N 1 0 227.351 3.667 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000482458509 534423996 /nfs/dbraw/zinc/42/39/96/534423996.db2.gz XUPUFAOXROBAQC-CQSZACIVSA-N 1 0 227.351 3.667 20 0 BHADRO COc1cc(C[N@@H+]2CCC(C)=C(C)C2)ccc1C ZINC000482458689 533801378 /nfs/dbraw/zinc/80/13/78/533801378.db2.gz MHPUZDBFOLQTAO-UHFFFAOYSA-N 1 0 245.366 3.546 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000482459199 528090531 /nfs/dbraw/zinc/09/05/31/528090531.db2.gz NEXIQRDRTQVMSF-UHFFFAOYSA-N 1 0 240.350 3.710 20 0 BHADRO Cc1ccc2c(c1)C[N@H+](CCCC(C)C)C2 ZINC000482459544 534424958 /nfs/dbraw/zinc/42/49/58/534424958.db2.gz ZRSJYVCWDNUJTO-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO COc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1C ZINC000482460934 533553104 /nfs/dbraw/zinc/55/31/04/533553104.db2.gz RAVPZYFKMFNESJ-UHFFFAOYSA-N 1 0 245.366 3.546 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](CCc1ccccc1)C2 ZINC000482461025 386806749 /nfs/dbraw/zinc/80/67/49/386806749.db2.gz ZDEIVGQUXPGDOP-UHFFFAOYSA-N 1 0 237.346 3.553 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1 ZINC000482461797 534204842 /nfs/dbraw/zinc/20/48/42/534204842.db2.gz UJKJUIXGTWEGOC-UHFFFAOYSA-N 1 0 247.407 3.951 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000482462077 528091120 /nfs/dbraw/zinc/09/11/20/528091120.db2.gz UQYPBMXGCFDPLA-UHFFFAOYSA-N 1 0 241.787 3.944 20 0 BHADRO CC1=C(C)C[N@H+](Cc2coc3ccccc23)CC1 ZINC000482463145 528091190 /nfs/dbraw/zinc/09/11/90/528091190.db2.gz YHPDGIGNIOBSME-UHFFFAOYSA-N 1 0 241.334 3.975 20 0 BHADRO CC1=C(C)C[N@H+](C/C=C/c2ccccc2)CC1 ZINC000482463498 528090061 /nfs/dbraw/zinc/09/00/61/528090061.db2.gz ZZBCIRNFYGSHHH-RMKNXTFCSA-N 1 0 227.351 3.742 20 0 BHADRO CC1=C(C)C[N@H+](C/C=C\c2ccccc2)CC1 ZINC000482463499 528090657 /nfs/dbraw/zinc/09/06/57/528090657.db2.gz ZZBCIRNFYGSHHH-TWGQIWQCSA-N 1 0 227.351 3.742 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)o1 ZINC000482483715 529478036 /nfs/dbraw/zinc/47/80/36/529478036.db2.gz JDHITQCNAXCBAD-GXSJLCMTSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(Cl)o1 ZINC000482483728 529341885 /nfs/dbraw/zinc/34/18/85/529341885.db2.gz JDHITQCNAXCBAD-KOLCDFICSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(Cl)o1 ZINC000482483729 529483645 /nfs/dbraw/zinc/48/36/45/529483645.db2.gz JDHITQCNAXCBAD-MWLCHTKSSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)o1 ZINC000482483731 529336984 /nfs/dbraw/zinc/33/69/84/529336984.db2.gz JDHITQCNAXCBAD-ONGXEEELSA-N 1 0 227.735 3.553 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482486963 527844799 /nfs/dbraw/zinc/84/47/99/527844799.db2.gz NRYFCEDVHBWMQQ-KBPBESRZSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482486964 527805239 /nfs/dbraw/zinc/80/52/39/527805239.db2.gz NRYFCEDVHBWMQQ-KGLIPLIRSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482486965 527844428 /nfs/dbraw/zinc/84/44/28/527844428.db2.gz NRYFCEDVHBWMQQ-UONOGXRCSA-N 1 0 249.398 3.738 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482486966 527805828 /nfs/dbraw/zinc/80/58/28/527805828.db2.gz NRYFCEDVHBWMQQ-ZIAGYGMSSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000482488737 529477770 /nfs/dbraw/zinc/47/77/70/529477770.db2.gz ICTIMLNBKDOOFT-BLLLJJGKSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000482488742 529337116 /nfs/dbraw/zinc/33/71/16/529337116.db2.gz ICTIMLNBKDOOFT-LRDDRELGSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000482488747 529483439 /nfs/dbraw/zinc/48/34/39/529483439.db2.gz ICTIMLNBKDOOFT-MLGOLLRUSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000482488751 529341834 /nfs/dbraw/zinc/34/18/34/529341834.db2.gz ICTIMLNBKDOOFT-WBMJQRKESA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000482488794 529341827 /nfs/dbraw/zinc/34/18/27/529341827.db2.gz RMBMMZJTDSUZHK-DOMZBBRYSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000482488797 386806680 /nfs/dbraw/zinc/80/66/80/386806680.db2.gz RMBMMZJTDSUZHK-IUODEOHRSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000482488828 386806278 /nfs/dbraw/zinc/80/62/78/386806278.db2.gz RMBMMZJTDSUZHK-SWLSCSKDSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000482488910 386806593 /nfs/dbraw/zinc/80/65/93/386806593.db2.gz RMBMMZJTDSUZHK-WFASDCNBSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000482490697 529337248 /nfs/dbraw/zinc/33/72/48/529337248.db2.gz ZLKMVCUEKGTQQH-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000482490698 529477689 /nfs/dbraw/zinc/47/76/89/529477689.db2.gz ZLKMVCUEKGTQQH-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000482490699 529483600 /nfs/dbraw/zinc/48/36/00/529483600.db2.gz ZLKMVCUEKGTQQH-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000482490700 529341715 /nfs/dbraw/zinc/34/17/15/529341715.db2.gz ZLKMVCUEKGTQQH-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1sccc1C ZINC000482494140 529478177 /nfs/dbraw/zinc/47/81/77/529478177.db2.gz BLSXGRSOVVQSKD-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1sccc1C ZINC000482494141 529337121 /nfs/dbraw/zinc/33/71/21/529337121.db2.gz BLSXGRSOVVQSKD-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1sccc1C ZINC000482494142 529341816 /nfs/dbraw/zinc/34/18/16/529341816.db2.gz BLSXGRSOVVQSKD-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1sccc1C ZINC000482494143 529483435 /nfs/dbraw/zinc/48/34/35/529483435.db2.gz BLSXGRSOVVQSKD-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000482496890 529337336 /nfs/dbraw/zinc/33/73/36/529337336.db2.gz XAXPUXCCPISCAX-GWCFXTLKSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000482496891 529478126 /nfs/dbraw/zinc/47/81/26/529478126.db2.gz XAXPUXCCPISCAX-GXFFZTMASA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000482496892 529341880 /nfs/dbraw/zinc/34/18/80/529341880.db2.gz XAXPUXCCPISCAX-MFKMUULPSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000482496893 529483488 /nfs/dbraw/zinc/48/34/88/529483488.db2.gz XAXPUXCCPISCAX-ZWNOBZJWSA-N 1 0 223.385 3.677 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482502041 527999675 /nfs/dbraw/zinc/99/96/75/527999675.db2.gz CKQWHVAVERFNDD-CYBMUJFWSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482502042 528000959 /nfs/dbraw/zinc/00/09/59/528000959.db2.gz CKQWHVAVERFNDD-ZDUSSCGKSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482506580 528782686 /nfs/dbraw/zinc/78/26/86/528782686.db2.gz IXTNHWHCOBLUAN-DZGCQCFKSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482506583 528915353 /nfs/dbraw/zinc/91/53/53/528915353.db2.gz IXTNHWHCOBLUAN-HIFRSBDPSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482506586 528782975 /nfs/dbraw/zinc/78/29/75/528782975.db2.gz IXTNHWHCOBLUAN-UKRRQHHQSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482506589 528915313 /nfs/dbraw/zinc/91/53/13/528915313.db2.gz IXTNHWHCOBLUAN-ZFWWWQNUSA-N 1 0 249.398 3.882 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000482533632 528783069 /nfs/dbraw/zinc/78/30/69/528783069.db2.gz IDOISNMEPVLYMX-DOMZBBRYSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000482533633 528782772 /nfs/dbraw/zinc/78/27/72/528782772.db2.gz IDOISNMEPVLYMX-IUODEOHRSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000482533634 528915341 /nfs/dbraw/zinc/91/53/41/528915341.db2.gz IDOISNMEPVLYMX-SWLSCSKDSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000482533635 528915220 /nfs/dbraw/zinc/91/52/20/528915220.db2.gz IDOISNMEPVLYMX-WFASDCNBSA-N 1 0 247.382 3.938 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@@H](C)C1(C)CC1 ZINC000482553855 225227360 /nfs/dbraw/zinc/22/73/60/225227360.db2.gz ORRNDLCZODBCMY-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@H](C)C1(C)CC1 ZINC000482554508 225227286 /nfs/dbraw/zinc/22/72/86/225227286.db2.gz ORRNDLCZODBCMY-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(C)(C)C ZINC000482559186 529653428 /nfs/dbraw/zinc/65/34/28/529653428.db2.gz MIRNPNHHWBPWFD-GWCFXTLKSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(C)(C)C ZINC000482559278 529200569 /nfs/dbraw/zinc/20/05/69/529200569.db2.gz MIRNPNHHWBPWFD-GXFFZTMASA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)C(C)(C)C ZINC000482559279 529667474 /nfs/dbraw/zinc/66/74/74/529667474.db2.gz MIRNPNHHWBPWFD-MFKMUULPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)C(C)(C)C ZINC000482559280 529205909 /nfs/dbraw/zinc/20/59/09/529205909.db2.gz MIRNPNHHWBPWFD-ZWNOBZJWSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H]([NH2+]CCCOc1ccccc1C)C1CC1 ZINC000482559432 529599477 /nfs/dbraw/zinc/59/94/77/529599477.db2.gz XRHRTQRIHROEKW-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCCOc1ccccc1C)C1CC1 ZINC000482559436 529162442 /nfs/dbraw/zinc/16/24/42/529162442.db2.gz XRHRTQRIHROEKW-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(Cl)cc1OC ZINC000482621021 528359174 /nfs/dbraw/zinc/35/91/74/528359174.db2.gz RGMCLUZGPKIYQD-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]Cc1ccn(C)c1)C1CCCCC1 ZINC000482622325 225228996 /nfs/dbraw/zinc/22/89/96/225228996.db2.gz DBXRZKJJESUAEW-KBPBESRZSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H](C)C1CCCCC1 ZINC000482622326 225228717 /nfs/dbraw/zinc/22/87/17/225228717.db2.gz DBXRZKJJESUAEW-KGLIPLIRSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C)c1)[C@H](C)C1CCCCC1 ZINC000482622327 533462444 /nfs/dbraw/zinc/46/24/44/533462444.db2.gz DBXRZKJJESUAEW-UONOGXRCSA-N 1 0 248.414 3.720 20 0 BHADRO C[C@@H]([NH2+]Cc1ccn(C)c1)[C@@H](C)C1CCCCC1 ZINC000482622328 533463265 /nfs/dbraw/zinc/46/32/65/533463265.db2.gz DBXRZKJJESUAEW-ZIAGYGMSSA-N 1 0 248.414 3.720 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000482622476 538870475 /nfs/dbraw/zinc/87/04/75/538870475.db2.gz XDZVJDBVNSBJAE-GFCCVEGCSA-N 1 0 247.382 3.804 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000482622478 538870212 /nfs/dbraw/zinc/87/02/12/538870212.db2.gz XDZVJDBVNSBJAE-LBPRGKRZSA-N 1 0 247.382 3.804 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000482641371 387039064 /nfs/dbraw/zinc/03/90/64/387039064.db2.gz JJPFBLDXDDQMLA-GDBMZVCRSA-N 1 0 248.414 3.757 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000482641372 387039119 /nfs/dbraw/zinc/03/91/19/387039119.db2.gz JJPFBLDXDDQMLA-GOEBONIOSA-N 1 0 248.414 3.757 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H](C)C(C)C)Nc1ccccc1 ZINC000482641373 387039353 /nfs/dbraw/zinc/03/93/53/387039353.db2.gz JJPFBLDXDDQMLA-HOCLYGCPSA-N 1 0 248.414 3.757 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000482641374 387038983 /nfs/dbraw/zinc/03/89/83/387038983.db2.gz JJPFBLDXDDQMLA-ZBFHGGJFSA-N 1 0 248.414 3.757 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(Cl)cc1OC ZINC000482701009 528003542 /nfs/dbraw/zinc/00/35/42/528003542.db2.gz ZPOVQYPLTUZWST-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1ccn(C)c1 ZINC000482753783 527682888 /nfs/dbraw/zinc/68/28/88/527682888.db2.gz QIKVWXXFTBELEZ-UHFFFAOYSA-N 1 0 236.403 3.576 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1OC ZINC000482796697 529690997 /nfs/dbraw/zinc/69/09/97/529690997.db2.gz VPZRBVJVOHQWIB-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1OC ZINC000482796699 529344643 /nfs/dbraw/zinc/34/46/43/529344643.db2.gz VPZRBVJVOHQWIB-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482837272 225230629 /nfs/dbraw/zinc/23/06/29/225230629.db2.gz IOVNTPDNSYUEHW-GMTAPVOTSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482837273 225229943 /nfs/dbraw/zinc/22/99/43/225229943.db2.gz IOVNTPDNSYUEHW-MXWKQRLJSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482837274 225230294 /nfs/dbraw/zinc/23/02/94/225230294.db2.gz IOVNTPDNSYUEHW-OUAUKWLOSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482837275 225230893 /nfs/dbraw/zinc/23/08/93/225230893.db2.gz IOVNTPDNSYUEHW-VWYCJHECSA-N 1 0 239.309 3.756 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCCCCC1)CC2 ZINC000482839758 534502158 /nfs/dbraw/zinc/50/21/58/534502158.db2.gz UTEMBQKOZRDEIW-HNNXBMFYSA-N 1 0 233.330 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1CCCCCC1)CC2 ZINC000482839761 534503436 /nfs/dbraw/zinc/50/34/36/534503436.db2.gz UTEMBQKOZRDEIW-OAHLLOKOSA-N 1 0 233.330 3.689 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000482842760 529182468 /nfs/dbraw/zinc/18/24/68/529182468.db2.gz VJROKUWKKVYEOQ-GZBFAFLISA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482842761 529182224 /nfs/dbraw/zinc/18/22/24/529182224.db2.gz VJROKUWKKVYEOQ-KCQAQPDRSA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482842762 529182259 /nfs/dbraw/zinc/18/22/59/529182259.db2.gz VJROKUWKKVYEOQ-UMVBOHGHSA-N 1 0 217.356 3.868 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482842763 529182473 /nfs/dbraw/zinc/18/24/73/529182473.db2.gz VJROKUWKKVYEOQ-VNHYZAJKSA-N 1 0 217.356 3.868 20 0 BHADRO CCOCCC[N@H+](CC(C)C)C(CC)CC ZINC000482845670 528657362 /nfs/dbraw/zinc/65/73/62/528657362.db2.gz RUSGGQOAVDQKQZ-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482851797 225230433 /nfs/dbraw/zinc/23/04/33/225230433.db2.gz CWXSVAKNVJYBCY-GMTAPVOTSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482851798 534045879 /nfs/dbraw/zinc/04/58/79/534045879.db2.gz CWXSVAKNVJYBCY-MXWKQRLJSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482851799 225230446 /nfs/dbraw/zinc/23/04/46/225230446.db2.gz CWXSVAKNVJYBCY-OUAUKWLOSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482851800 534045421 /nfs/dbraw/zinc/04/54/21/534045421.db2.gz CWXSVAKNVJYBCY-VWYCJHECSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H]1CC[N@H+](CCSc2ccccc2)[C@@H]1C ZINC000482854215 534033884 /nfs/dbraw/zinc/03/38/84/534033884.db2.gz HVRKYMGPXQNWTI-CHWSQXEVSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@@H]1CC[N@H+](CCSc2ccccc2)[C@H]1C ZINC000482854216 534033545 /nfs/dbraw/zinc/03/35/45/534033545.db2.gz HVRKYMGPXQNWTI-OLZOCXBDSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCSc1ccccc1 ZINC000482854217 534233220 /nfs/dbraw/zinc/23/32/20/534233220.db2.gz HVRKYMGPXQNWTI-QWHCGFSZSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@H]1CC[N@H+](CCSc2ccccc2)[C@H]1C ZINC000482854218 225230557 /nfs/dbraw/zinc/23/05/57/225230557.db2.gz HVRKYMGPXQNWTI-STQMWFEESA-N 1 0 235.396 3.509 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482860719 225230650 /nfs/dbraw/zinc/23/06/50/225230650.db2.gz UZSKTSVHSGMZRX-GRYCIOLGSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482860720 225230778 /nfs/dbraw/zinc/23/07/78/225230778.db2.gz UZSKTSVHSGMZRX-IJLUTSLNSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482860721 534061594 /nfs/dbraw/zinc/06/15/94/534061594.db2.gz UZSKTSVHSGMZRX-UTUOFQBUSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482860722 534062808 /nfs/dbraw/zinc/06/28/08/534062808.db2.gz UZSKTSVHSGMZRX-WOPDTQHZSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482861151 225230183 /nfs/dbraw/zinc/23/01/83/225230183.db2.gz VWHLGTZWYAQAKS-GMTAPVOTSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482861153 534040193 /nfs/dbraw/zinc/04/01/93/534040193.db2.gz VWHLGTZWYAQAKS-MXWKQRLJSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482861156 225230495 /nfs/dbraw/zinc/23/04/95/225230495.db2.gz VWHLGTZWYAQAKS-OUAUKWLOSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482861159 534040636 /nfs/dbraw/zinc/04/06/36/534040636.db2.gz VWHLGTZWYAQAKS-VWYCJHECSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482865359 225230961 /nfs/dbraw/zinc/23/09/61/225230961.db2.gz YEWLMTYEJNEWFB-GRYCIOLGSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482865361 225230240 /nfs/dbraw/zinc/23/02/40/225230240.db2.gz YEWLMTYEJNEWFB-IJLUTSLNSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482865363 225230852 /nfs/dbraw/zinc/23/08/52/225230852.db2.gz YEWLMTYEJNEWFB-UTUOFQBUSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482865370 225232511 /nfs/dbraw/zinc/23/25/11/225232511.db2.gz YEWLMTYEJNEWFB-WOPDTQHZSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482867051 534129895 /nfs/dbraw/zinc/12/98/95/534129895.db2.gz NJBQCJQXQVYNCX-GRYCIOLGSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482867052 534129863 /nfs/dbraw/zinc/12/98/63/534129863.db2.gz NJBQCJQXQVYNCX-IJLUTSLNSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482867053 534088701 /nfs/dbraw/zinc/08/87/01/534088701.db2.gz NJBQCJQXQVYNCX-UTUOFQBUSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482867054 534089317 /nfs/dbraw/zinc/08/93/17/534089317.db2.gz NJBQCJQXQVYNCX-WOPDTQHZSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCOc2ccccc2)[C@H]1C ZINC000482869578 534031457 /nfs/dbraw/zinc/03/14/57/534031457.db2.gz VCLLVSLCEIHNLY-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CC[N@H+](CCCCOc2ccccc2)[C@H]1C ZINC000482869579 225232350 /nfs/dbraw/zinc/23/23/50/225232350.db2.gz VCLLVSLCEIHNLY-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCOc2ccccc2)[C@@H]1C ZINC000482869580 534032419 /nfs/dbraw/zinc/03/24/19/534032419.db2.gz VCLLVSLCEIHNLY-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCCOc1ccccc1 ZINC000482869581 534233426 /nfs/dbraw/zinc/23/34/26/534233426.db2.gz VCLLVSLCEIHNLY-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC000482879564 534055205 /nfs/dbraw/zinc/05/52/05/534055205.db2.gz YIQSCDVXRYISEN-HFAKWTLXSA-N 1 0 233.330 3.543 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)[C@H]1C ZINC000482879565 534054669 /nfs/dbraw/zinc/05/46/69/534054669.db2.gz YIQSCDVXRYISEN-JRPNMDOOSA-N 1 0 233.330 3.543 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC000482879566 534055601 /nfs/dbraw/zinc/05/56/01/534055601.db2.gz YIQSCDVXRYISEN-UEKVPHQBSA-N 1 0 233.330 3.543 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)[C@H]1C ZINC000482879567 534053945 /nfs/dbraw/zinc/05/39/45/534053945.db2.gz YIQSCDVXRYISEN-ZETOZRRWSA-N 1 0 233.330 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)[C@H]1C)c1ccccc1 ZINC000482882365 534070537 /nfs/dbraw/zinc/07/05/37/534070537.db2.gz AQNOWTIDXKVBKE-BFHYXJOUSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000482882366 534068723 /nfs/dbraw/zinc/06/87/23/534068723.db2.gz AQNOWTIDXKVBKE-MCIONIFRSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H]1C)c1ccccc1 ZINC000482882367 534070285 /nfs/dbraw/zinc/07/02/85/534070285.db2.gz AQNOWTIDXKVBKE-MGPQQGTHSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)[C@@H]1C)c1ccccc1 ZINC000482882368 534069625 /nfs/dbraw/zinc/06/96/25/534069625.db2.gz AQNOWTIDXKVBKE-MJBXVCDLSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482886844 534064322 /nfs/dbraw/zinc/06/43/22/534064322.db2.gz HPRYMTFSWLJPCN-MXWKQRLJSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482886847 534063833 /nfs/dbraw/zinc/06/38/33/534063833.db2.gz HPRYMTFSWLJPCN-VWYCJHECSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H]1CC[N@H+](CCc2ccccc2Cl)[C@H]1C ZINC000482891732 534035887 /nfs/dbraw/zinc/03/58/87/534035887.db2.gz OZBYBPCKQMRJAI-NEPJUHHUSA-N 1 0 237.774 3.613 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)C ZINC000482891946 529180034 /nfs/dbraw/zinc/18/00/34/529180034.db2.gz SIYKYFOGJNGMBZ-GDBMZVCRSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)C ZINC000482891947 529176619 /nfs/dbraw/zinc/17/66/19/529176619.db2.gz SIYKYFOGJNGMBZ-GOEBONIOSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)C ZINC000482891948 529616017 /nfs/dbraw/zinc/61/60/17/529616017.db2.gz SIYKYFOGJNGMBZ-HOCLYGCPSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)C ZINC000482891949 529622038 /nfs/dbraw/zinc/62/20/38/529622038.db2.gz SIYKYFOGJNGMBZ-ZBFHGGJFSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCc1ccccc1Cl ZINC000482892429 534233043 /nfs/dbraw/zinc/23/30/43/534233043.db2.gz OZBYBPCKQMRJAI-NWDGAFQWSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@H]1CC[N@H+](CCc2ccccc2Cl)[C@H]1C ZINC000482892430 225231703 /nfs/dbraw/zinc/23/17/03/225231703.db2.gz OZBYBPCKQMRJAI-RYUDHWBXSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1CC[N@H+](CCc2ccccc2Cl)[C@@H]1C ZINC000482892431 534033149 /nfs/dbraw/zinc/03/31/49/534033149.db2.gz OZBYBPCKQMRJAI-VXGBXAGGSA-N 1 0 237.774 3.613 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000482895670 225232079 /nfs/dbraw/zinc/23/20/79/225232079.db2.gz ULFVORHSRPTDDN-IHRRRGAJSA-N 1 0 217.356 3.786 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000482895671 225232412 /nfs/dbraw/zinc/23/24/12/225232412.db2.gz ULFVORHSRPTDDN-MCIONIFRSA-N 1 0 217.356 3.786 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000482895672 225231439 /nfs/dbraw/zinc/23/14/39/225231439.db2.gz ULFVORHSRPTDDN-MJBXVCDLSA-N 1 0 217.356 3.786 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000482895673 225231472 /nfs/dbraw/zinc/23/14/72/225231472.db2.gz ULFVORHSRPTDDN-RDBSUJKOSA-N 1 0 217.356 3.786 20 0 BHADRO C[N@H+](CC(C)(C)C)[C@H]1CCc2ccc(F)cc21 ZINC000482935953 529844308 /nfs/dbraw/zinc/84/43/08/529844308.db2.gz IXSBEPUDTDLFRX-AWEZNQCLSA-N 1 0 235.346 3.791 20 0 BHADRO C[N@H+](CC(C)(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC000482935954 529844365 /nfs/dbraw/zinc/84/43/65/529844365.db2.gz IXSBEPUDTDLFRX-CQSZACIVSA-N 1 0 235.346 3.791 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000482950127 534710346 /nfs/dbraw/zinc/71/03/46/534710346.db2.gz QJRUWZFBRFCOFN-KRWDZBQOSA-N 1 0 237.346 3.942 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000482950151 534711183 /nfs/dbraw/zinc/71/11/83/534711183.db2.gz QJRUWZFBRFCOFN-QGZVFWFLSA-N 1 0 237.346 3.942 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000482951601 527915012 /nfs/dbraw/zinc/91/50/12/527915012.db2.gz SGOGBJJLWQSAJS-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000482951602 527913692 /nfs/dbraw/zinc/91/36/92/527913692.db2.gz SGOGBJJLWQSAJS-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000482951603 528484304 /nfs/dbraw/zinc/48/43/04/528484304.db2.gz SGOGBJJLWQSAJS-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000482951604 528485387 /nfs/dbraw/zinc/48/53/87/528485387.db2.gz SGOGBJJLWQSAJS-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CCCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000482952162 528186359 /nfs/dbraw/zinc/18/63/59/528186359.db2.gz VLBJUPYWVYYYGA-AWEZNQCLSA-N 1 0 203.329 3.624 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000482952176 528186931 /nfs/dbraw/zinc/18/69/31/528186931.db2.gz VLBJUPYWVYYYGA-CQSZACIVSA-N 1 0 203.329 3.624 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2[C@@H]2C=CCCC2)cc1 ZINC000482954661 225233857 /nfs/dbraw/zinc/23/38/57/225233857.db2.gz TZXAUBPJRQTUIZ-CABCVRRESA-N 1 0 213.324 3.542 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2[C@H]2C=CCCC2)cc1 ZINC000482954667 225233284 /nfs/dbraw/zinc/23/32/84/225233284.db2.gz TZXAUBPJRQTUIZ-GJZGRUSLSA-N 1 0 213.324 3.542 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2[C@@H]2C=CCCC2)cc1 ZINC000482954677 225233538 /nfs/dbraw/zinc/23/35/38/225233538.db2.gz TZXAUBPJRQTUIZ-HUUCEWRRSA-N 1 0 213.324 3.542 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2[C@H]2C=CCCC2)cc1 ZINC000482954678 225233185 /nfs/dbraw/zinc/23/31/85/225233185.db2.gz TZXAUBPJRQTUIZ-LSDHHAIUSA-N 1 0 213.324 3.542 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000483038186 528503144 /nfs/dbraw/zinc/50/31/44/528503144.db2.gz UATGJHAJDZIWPZ-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000483038187 528502926 /nfs/dbraw/zinc/50/29/26/528502926.db2.gz UATGJHAJDZIWPZ-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1cc(C)cc(OCCC[N@@H+](C)C2CCC2)c1 ZINC000483054964 225233507 /nfs/dbraw/zinc/23/35/07/225233507.db2.gz AUXKVRKMEUUSPC-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc(C)c(OCCC[N@@H+](C)C2CCC2)c1 ZINC000483058224 225233255 /nfs/dbraw/zinc/23/32/55/225233255.db2.gz JCEIFYUCGUDWNQ-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC1(C)CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483060576 529013045 /nfs/dbraw/zinc/01/30/45/529013045.db2.gz OLFKCKZDXJIWJJ-AWEZNQCLSA-N 1 0 233.330 3.545 20 0 BHADRO CC1(C)CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483060578 529013159 /nfs/dbraw/zinc/01/31/59/529013159.db2.gz OLFKCKZDXJIWJJ-CQSZACIVSA-N 1 0 233.330 3.545 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000483078184 528186378 /nfs/dbraw/zinc/18/63/78/528186378.db2.gz WRYDLSWPCFVNEH-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483078185 528186056 /nfs/dbraw/zinc/18/60/56/528186056.db2.gz WRYDLSWPCFVNEH-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483078186 528186875 /nfs/dbraw/zinc/18/68/75/528186875.db2.gz WRYDLSWPCFVNEH-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000483078187 528186410 /nfs/dbraw/zinc/18/64/10/528186410.db2.gz WRYDLSWPCFVNEH-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@@H]1c1ccccc1 ZINC000483079258 225233753 /nfs/dbraw/zinc/23/37/53/225233753.db2.gz QUEOUCIVZKEPCI-BMFZPTHFSA-N 1 0 227.351 3.788 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@H]1c1ccccc1 ZINC000483079259 225232841 /nfs/dbraw/zinc/23/28/41/225232841.db2.gz QUEOUCIVZKEPCI-FVQBIDKESA-N 1 0 227.351 3.788 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)[C@@H]1c1ccccc1 ZINC000483079260 534477967 /nfs/dbraw/zinc/47/79/67/534477967.db2.gz QUEOUCIVZKEPCI-KBMXLJTQSA-N 1 0 227.351 3.788 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)[C@H]1c1ccccc1 ZINC000483079261 534479206 /nfs/dbraw/zinc/47/92/06/534479206.db2.gz QUEOUCIVZKEPCI-VNQPRFMTSA-N 1 0 227.351 3.788 20 0 BHADRO C[N@H+]([C@@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1 ZINC000483099133 530033066 /nfs/dbraw/zinc/03/30/66/530033066.db2.gz DDVCNVRFIWXEGG-CHWSQXEVSA-N 1 0 207.361 3.606 20 0 BHADRO C[N@H+]([C@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1 ZINC000483099134 530034151 /nfs/dbraw/zinc/03/41/51/530034151.db2.gz DDVCNVRFIWXEGG-OLZOCXBDSA-N 1 0 207.361 3.606 20 0 BHADRO C[N@H+]([C@@H]1CCC(C)(C)C1)[C@H]1C=CCCC1 ZINC000483099136 530033144 /nfs/dbraw/zinc/03/31/44/530033144.db2.gz DDVCNVRFIWXEGG-QWHCGFSZSA-N 1 0 207.361 3.606 20 0 BHADRO C[N@H+]([C@H]1CCC(C)(C)C1)[C@H]1C=CCCC1 ZINC000483099138 530034066 /nfs/dbraw/zinc/03/40/66/530034066.db2.gz DDVCNVRFIWXEGG-STQMWFEESA-N 1 0 207.361 3.606 20 0 BHADRO CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483113022 528990993 /nfs/dbraw/zinc/99/09/93/528990993.db2.gz AGSZVUHOSVMALN-UHFFFAOYSA-N 1 0 223.747 3.539 20 0 BHADRO CC[N@H+](CC1CCC1)[C@H](C)c1cccc(OC)c1 ZINC000483114631 528346865 /nfs/dbraw/zinc/34/68/65/528346865.db2.gz DLOBVWRMXHFTQC-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO CC[N@H+](CC1CCC1)[C@@H](C)c1cccc(OC)c1 ZINC000483114633 528347655 /nfs/dbraw/zinc/34/76/55/528347655.db2.gz DLOBVWRMXHFTQC-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000483119346 528077120 /nfs/dbraw/zinc/07/71/20/528077120.db2.gz MAZMJZAGZXWHFQ-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000483119348 528901293 /nfs/dbraw/zinc/90/12/93/528901293.db2.gz MAZMJZAGZXWHFQ-FVQBIDKESA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000483119350 528069692 /nfs/dbraw/zinc/06/96/92/528069692.db2.gz MAZMJZAGZXWHFQ-NUEKZKHPSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@H](CO)c1ccccc1 ZINC000483119352 528904655 /nfs/dbraw/zinc/90/46/55/528904655.db2.gz MAZMJZAGZXWHFQ-VNQPRFMTSA-N 1 0 249.398 3.524 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000483119455 225235080 /nfs/dbraw/zinc/23/50/80/225235080.db2.gz SIEXSUYDVKPYTJ-FMKPAKJESA-N 1 0 249.398 3.705 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000483119456 225235335 /nfs/dbraw/zinc/23/53/35/225235335.db2.gz SIEXSUYDVKPYTJ-IIAWOOMASA-N 1 0 249.398 3.705 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000483119457 533109450 /nfs/dbraw/zinc/10/94/50/533109450.db2.gz SIEXSUYDVKPYTJ-LZWOXQAQSA-N 1 0 249.398 3.705 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000483119458 225233910 /nfs/dbraw/zinc/23/39/10/225233910.db2.gz SIEXSUYDVKPYTJ-SQWLQELKSA-N 1 0 249.398 3.705 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000483122889 534491375 /nfs/dbraw/zinc/49/13/75/534491375.db2.gz OLQZCLGLVQGWNA-GDBMZVCRSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000483122891 225234500 /nfs/dbraw/zinc/23/45/00/225234500.db2.gz OLQZCLGLVQGWNA-GOEBONIOSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000483122893 225235269 /nfs/dbraw/zinc/23/52/69/225235269.db2.gz OLQZCLGLVQGWNA-HOCLYGCPSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000483122895 534489906 /nfs/dbraw/zinc/48/99/06/534489906.db2.gz OLQZCLGLVQGWNA-ZBFHGGJFSA-N 1 0 245.341 3.724 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000483124507 225234706 /nfs/dbraw/zinc/23/47/06/225234706.db2.gz XAOUTYJUEHKNPI-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000483124509 225235165 /nfs/dbraw/zinc/23/51/65/225235165.db2.gz XAOUTYJUEHKNPI-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000483127093 529398740 /nfs/dbraw/zinc/39/87/40/529398740.db2.gz WNDWUDTVMDWJGF-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000483127094 529520265 /nfs/dbraw/zinc/52/02/65/529520265.db2.gz WNDWUDTVMDWJGF-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000483127095 529520754 /nfs/dbraw/zinc/52/07/54/529520754.db2.gz WNDWUDTVMDWJGF-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](c1ccccc1C)C(C)C ZINC000483127096 529399246 /nfs/dbraw/zinc/39/92/46/529399246.db2.gz WNDWUDTVMDWJGF-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO CC[N@H+](CCCc1ccsc1)CC1CCC1 ZINC000483127775 528475775 /nfs/dbraw/zinc/47/57/75/528475775.db2.gz GFIODSDQBDPXKJ-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1cccc(C)c1C)C(C)C ZINC000483128394 225234425 /nfs/dbraw/zinc/23/44/25/225234425.db2.gz PWANMFCDKQAYCC-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(C)C ZINC000483128395 225234590 /nfs/dbraw/zinc/23/45/90/225234590.db2.gz PWANMFCDKQAYCC-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(C)C ZINC000483128396 225235202 /nfs/dbraw/zinc/23/52/02/225235202.db2.gz PWANMFCDKQAYCC-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1cccc(C)c1C)C(C)C ZINC000483128397 225235041 /nfs/dbraw/zinc/23/50/41/225235041.db2.gz PWANMFCDKQAYCC-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000483128419 528899155 /nfs/dbraw/zinc/89/91/55/528899155.db2.gz QDBMEPXRVHSGDQ-CYBMUJFWSA-N 1 0 235.371 3.622 20 0 BHADRO CCC[C@H](C)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000483128420 528065184 /nfs/dbraw/zinc/06/51/84/528065184.db2.gz QDBMEPXRVHSGDQ-ZDUSSCGKSA-N 1 0 235.371 3.622 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)C1(C)CC1 ZINC000483129464 533353692 /nfs/dbraw/zinc/35/36/92/533353692.db2.gz LBFOJTJJZNHRON-CYBMUJFWSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)C1(C)CC1 ZINC000483129465 225234663 /nfs/dbraw/zinc/23/46/63/225234663.db2.gz LBFOJTJJZNHRON-ZDUSSCGKSA-N 1 0 247.382 3.622 20 0 BHADRO CC[N@H+](CCCCC(F)(F)F)CC1CCC1 ZINC000483129776 528432836 /nfs/dbraw/zinc/43/28/36/528432836.db2.gz MCVWJHOBRKFIGL-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)C(C)(C)C ZINC000483132953 533353927 /nfs/dbraw/zinc/35/39/27/533353927.db2.gz XHJMRCVNXMJREU-CYBMUJFWSA-N 1 0 249.398 3.868 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)C(C)(C)C ZINC000483132954 225235037 /nfs/dbraw/zinc/23/50/37/225235037.db2.gz XHJMRCVNXMJREU-ZDUSSCGKSA-N 1 0 249.398 3.868 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)Oc1ccccc1)C1CC1 ZINC000483133592 529589808 /nfs/dbraw/zinc/58/98/08/529589808.db2.gz IMLGAACOCFNAEA-HNNXBMFYSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)C1CC1 ZINC000483133593 529155092 /nfs/dbraw/zinc/15/50/92/529155092.db2.gz IMLGAACOCFNAEA-OAHLLOKOSA-N 1 0 247.382 3.622 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483140468 528360254 /nfs/dbraw/zinc/36/02/54/528360254.db2.gz DQKGQOSAKHVWSF-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000483140651 225234764 /nfs/dbraw/zinc/23/47/64/225234764.db2.gz FMIYOAACLLOXRN-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000483140652 225235028 /nfs/dbraw/zinc/23/50/28/225235028.db2.gz FMIYOAACLLOXRN-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000483140653 225235090 /nfs/dbraw/zinc/23/50/90/225235090.db2.gz FMIYOAACLLOXRN-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000483140654 225235227 /nfs/dbraw/zinc/23/52/27/225235227.db2.gz FMIYOAACLLOXRN-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO COC1(C[N@H+](C)C2CCCCCC2)CCCC1 ZINC000483142031 532990084 /nfs/dbraw/zinc/99/00/84/532990084.db2.gz KWTDLGCUFPWZAT-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](Cc1ccsc1Cl)C1CCCC1 ZINC000483142906 530013970 /nfs/dbraw/zinc/01/39/70/530013970.db2.gz JSHCDHBOSZTTTF-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC1CCOCC1 ZINC000483144805 528069097 /nfs/dbraw/zinc/06/90/97/528069097.db2.gz NWPBVSICADJJST-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC1CCOCC1 ZINC000483144806 528904774 /nfs/dbraw/zinc/90/47/74/528904774.db2.gz NWPBVSICADJJST-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC1CCOCC1 ZINC000483144807 528902052 /nfs/dbraw/zinc/90/20/52/528902052.db2.gz NWPBVSICADJJST-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC1CCOCC1 ZINC000483144808 528075544 /nfs/dbraw/zinc/07/55/44/528075544.db2.gz NWPBVSICADJJST-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO Clc1sccc1C[NH+]1CCCCCC1 ZINC000483146267 225234820 /nfs/dbraw/zinc/23/48/20/225234820.db2.gz XDOFXZVQLUVMMU-UHFFFAOYSA-N 1 0 229.776 3.778 20 0 BHADRO CC[N@H+](Cc1ccc(OCC2CC2)cc1)C(C)C ZINC000483146647 528796113 /nfs/dbraw/zinc/79/61/13/528796113.db2.gz XXHHIIBBDDIPEF-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@H](C)C(C)C ZINC000483150875 533976973 /nfs/dbraw/zinc/97/69/73/533976973.db2.gz GMSHWBUBDNUWLM-GFCCVEGCSA-N 1 0 231.339 3.875 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)C(C)C ZINC000483150876 533976865 /nfs/dbraw/zinc/97/68/65/533976865.db2.gz GMSHWBUBDNUWLM-LBPRGKRZSA-N 1 0 231.339 3.875 20 0 BHADRO COC1(C[N@H+](C)C2CCCCC2)CCCCC1 ZINC000483154472 532989342 /nfs/dbraw/zinc/98/93/42/532989342.db2.gz VKDBPMNYQWEHQX-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000483154778 528406490 /nfs/dbraw/zinc/40/64/90/528406490.db2.gz NMQCKUJPKZGXAW-SECBINFHSA-N 1 0 231.792 3.878 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000483154779 528959436 /nfs/dbraw/zinc/95/94/36/528959436.db2.gz NMQCKUJPKZGXAW-VIFPVBQESA-N 1 0 231.792 3.878 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCC1CCCCC1 ZINC000483155031 225235383 /nfs/dbraw/zinc/23/53/83/225235383.db2.gz GSXVTBBWJKBYSU-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCC1CCCCC1 ZINC000483155043 225234745 /nfs/dbraw/zinc/23/47/45/225234745.db2.gz GSXVTBBWJKBYSU-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483169002 527914063 /nfs/dbraw/zinc/91/40/63/527914063.db2.gz OQNZHXOISTYHQS-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(OCC2CC2)cc1 ZINC000483170799 528004534 /nfs/dbraw/zinc/00/45/34/528004534.db2.gz AJCBFRYADAPUHT-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483174461 529344590 /nfs/dbraw/zinc/34/45/90/529344590.db2.gz FOMKYMDOEYQPKG-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483174463 529690958 /nfs/dbraw/zinc/69/09/58/529690958.db2.gz FOMKYMDOEYQPKG-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO CC[N@@H+](Cc1ccsc1Cl)CC(C)C ZINC000483179998 528863020 /nfs/dbraw/zinc/86/30/20/528863020.db2.gz PPCUGZWDNFHPBS-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1(C)CC1 ZINC000483188043 533353597 /nfs/dbraw/zinc/35/35/97/533353597.db2.gz APNKITFWAFFCAX-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1(C)CC1 ZINC000483188047 225235722 /nfs/dbraw/zinc/23/57/22/225235722.db2.gz APNKITFWAFFCAX-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCF)cc1 ZINC000483191203 225236157 /nfs/dbraw/zinc/23/61/57/225236157.db2.gz BEEQFSPMLOXVFW-HNNXBMFYSA-N 1 0 235.346 3.882 20 0 BHADRO Cc1ccc([C@H]2CCCC[N@@H+]2CCCF)cc1 ZINC000483191204 225236256 /nfs/dbraw/zinc/23/62/56/225236256.db2.gz BEEQFSPMLOXVFW-OAHLLOKOSA-N 1 0 235.346 3.882 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCCCC1)C1(C)CC1 ZINC000483191904 225236023 /nfs/dbraw/zinc/23/60/23/225236023.db2.gz FJEMNOUXYNYRDB-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCCCC1)C1(C)CC1 ZINC000483191905 533860653 /nfs/dbraw/zinc/86/06/53/533860653.db2.gz FJEMNOUXYNYRDB-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCCF)cc1 ZINC000483195027 225236173 /nfs/dbraw/zinc/23/61/73/225236173.db2.gz AUHWQCQEDJFHQD-CVEARBPZSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCCF)cc1 ZINC000483195028 225235971 /nfs/dbraw/zinc/23/59/71/225235971.db2.gz AUHWQCQEDJFHQD-HOTGVXAUSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCCF)cc1 ZINC000483195029 225236539 /nfs/dbraw/zinc/23/65/39/225236539.db2.gz AUHWQCQEDJFHQD-HZPDHXFCSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCCF)cc1 ZINC000483195030 225236725 /nfs/dbraw/zinc/23/67/25/225236725.db2.gz AUHWQCQEDJFHQD-JKSUJKDBSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000483197834 225235750 /nfs/dbraw/zinc/23/57/50/225235750.db2.gz QAHMCTSEIWHQMY-AEGPPILISA-N 1 0 229.367 3.644 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000483197840 225236680 /nfs/dbraw/zinc/23/66/80/225236680.db2.gz QAHMCTSEIWHQMY-YUELXQCFSA-N 1 0 229.367 3.644 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000483198115 225236671 /nfs/dbraw/zinc/23/66/71/225236671.db2.gz HJUKMUWBIRZBKC-HZSPNIEDSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000483198117 225236281 /nfs/dbraw/zinc/23/62/81/225236281.db2.gz HJUKMUWBIRZBKC-IHRRRGAJSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000483198118 225236752 /nfs/dbraw/zinc/23/67/52/225236752.db2.gz HJUKMUWBIRZBKC-MCIONIFRSA-N 1 0 217.356 3.644 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000483198120 225235726 /nfs/dbraw/zinc/23/57/26/225235726.db2.gz HJUKMUWBIRZBKC-MJBXVCDLSA-N 1 0 217.356 3.644 20 0 BHADRO CC[C@H]([NH2+]CCOC1CCCCCC1)C1CC1 ZINC000483199421 529603732 /nfs/dbraw/zinc/60/37/32/529603732.db2.gz MQGIYINETCPAIM-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCOC1CCCCCC1)C1CC1 ZINC000483199422 529165899 /nfs/dbraw/zinc/16/58/99/529165899.db2.gz MQGIYINETCPAIM-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO C(CC1CCCC1)C[N@@H+]1CCC12CCC2 ZINC000483201067 527476303 /nfs/dbraw/zinc/47/63/03/527476303.db2.gz RDGUXEVUCGWXHM-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO CSCCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000483203443 533572247 /nfs/dbraw/zinc/57/22/47/533572247.db2.gz RFCZNRSQNNZAKY-AWEZNQCLSA-N 1 0 249.423 3.752 20 0 BHADRO CSCCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000483203446 533572818 /nfs/dbraw/zinc/57/28/18/533572818.db2.gz RFCZNRSQNNZAKY-CQSZACIVSA-N 1 0 249.423 3.752 20 0 BHADRO CC(C)OCCC[N@H+](C)CCCC1CCCC1 ZINC000483204107 527936549 /nfs/dbraw/zinc/93/65/49/527936549.db2.gz SNPJCZAKWKSMDR-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000483205160 225236490 /nfs/dbraw/zinc/23/64/90/225236490.db2.gz VJQXKGPFBUFVPH-CYBMUJFWSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000483205161 225236426 /nfs/dbraw/zinc/23/64/26/225236426.db2.gz VJQXKGPFBUFVPH-ZDUSSCGKSA-N 1 0 249.423 3.883 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000483206721 528419582 /nfs/dbraw/zinc/41/95/82/528419582.db2.gz WESGKAUWCDBXCM-GFCCVEGCSA-N 1 0 237.362 3.737 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000483206722 528970847 /nfs/dbraw/zinc/97/08/47/528970847.db2.gz WESGKAUWCDBXCM-LBPRGKRZSA-N 1 0 237.362 3.737 20 0 BHADRO FCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000483206755 534431659 /nfs/dbraw/zinc/43/16/59/534431659.db2.gz DDGVBYBDSWOILZ-AWEZNQCLSA-N 1 0 239.309 3.712 20 0 BHADRO FCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000483206757 534432039 /nfs/dbraw/zinc/43/20/39/534432039.db2.gz DDGVBYBDSWOILZ-CQSZACIVSA-N 1 0 239.309 3.712 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1CC1 ZINC000483210857 529589445 /nfs/dbraw/zinc/58/94/45/529589445.db2.gz ZBQVSKPCRNRTIJ-HNNXBMFYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)C1CC1 ZINC000483210858 529155109 /nfs/dbraw/zinc/15/51/09/529155109.db2.gz ZBQVSKPCRNRTIJ-OAHLLOKOSA-N 1 0 249.373 3.882 20 0 BHADRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(C)C ZINC000483213227 534115127 /nfs/dbraw/zinc/11/51/27/534115127.db2.gz ABZYKPYEKCGAEO-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(C)C ZINC000483213228 534104308 /nfs/dbraw/zinc/10/43/08/534104308.db2.gz ABZYKPYEKCGAEO-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000483217393 533707091 /nfs/dbraw/zinc/70/70/91/533707091.db2.gz XRRBEECQSCSVHA-BXUZGUMPSA-N 1 0 249.423 3.750 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000483217394 533783188 /nfs/dbraw/zinc/78/31/88/533783188.db2.gz XRRBEECQSCSVHA-FZMZJTMJSA-N 1 0 249.423 3.750 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000483217395 533707404 /nfs/dbraw/zinc/70/74/04/533707404.db2.gz XRRBEECQSCSVHA-RISCZKNCSA-N 1 0 249.423 3.750 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000483217396 533782686 /nfs/dbraw/zinc/78/26/86/533782686.db2.gz XRRBEECQSCSVHA-SMDDNHRTSA-N 1 0 249.423 3.750 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1CCCF ZINC000483217410 528583577 /nfs/dbraw/zinc/58/35/77/528583577.db2.gz XUNOZPJEKPEREG-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCCF ZINC000483217411 528372239 /nfs/dbraw/zinc/37/22/39/528372239.db2.gz XUNOZPJEKPEREG-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO FCCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000483218576 534430013 /nfs/dbraw/zinc/43/00/13/534430013.db2.gz PTMQAFJAZZTLOV-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC(C)(C)C1 ZINC000483219620 225236591 /nfs/dbraw/zinc/23/65/91/225236591.db2.gz LRTKDMPHNXWTAO-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC(C)(C)C1 ZINC000483219621 225235957 /nfs/dbraw/zinc/23/59/57/225235957.db2.gz LRTKDMPHNXWTAO-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO CCc1ccc(CC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000483220763 538873672 /nfs/dbraw/zinc/87/36/72/538873672.db2.gz PLAHPKLLYOSMPT-CYBMUJFWSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000483220764 538873791 /nfs/dbraw/zinc/87/37/91/538873791.db2.gz PLAHPKLLYOSMPT-ZDUSSCGKSA-N 1 0 231.383 3.570 20 0 BHADRO CC[C@@H]1C[N@H+](CCCF)CC[C@H]1c1ccccc1 ZINC000483220801 529390168 /nfs/dbraw/zinc/39/01/68/529390168.db2.gz PNBQITZGFDQKHS-GDBMZVCRSA-N 1 0 249.373 3.862 20 0 BHADRO CC[C@H]1C[N@H+](CCCF)CC[C@H]1c1ccccc1 ZINC000483220803 529291016 /nfs/dbraw/zinc/29/10/16/529291016.db2.gz PNBQITZGFDQKHS-GOEBONIOSA-N 1 0 249.373 3.862 20 0 BHADRO CC[C@H]1C[N@H+](CCCF)CC[C@@H]1c1ccccc1 ZINC000483220805 529291188 /nfs/dbraw/zinc/29/11/88/529291188.db2.gz PNBQITZGFDQKHS-HOCLYGCPSA-N 1 0 249.373 3.862 20 0 BHADRO CC[C@@H]1C[N@H+](CCCF)CC[C@@H]1c1ccccc1 ZINC000483220807 529390250 /nfs/dbraw/zinc/39/02/50/529390250.db2.gz PNBQITZGFDQKHS-ZBFHGGJFSA-N 1 0 249.373 3.862 20 0 BHADRO C[C@]1(CCc2ccccc2)CC[N@H+](CCCF)C1 ZINC000483222117 225235908 /nfs/dbraw/zinc/23/59/08/225235908.db2.gz SYWYNWUWFMBSQD-INIZCTEOSA-N 1 0 249.373 3.691 20 0 BHADRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCCF)C1 ZINC000483222119 225235921 /nfs/dbraw/zinc/23/59/21/225235921.db2.gz SYWYNWUWFMBSQD-MRXNPFEDSA-N 1 0 249.373 3.691 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H](CC)C2CC2)cc1 ZINC000483224298 529630353 /nfs/dbraw/zinc/63/03/53/529630353.db2.gz XCMYFRJPOGQABH-INIZCTEOSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@H](CC)C2CC2)cc1 ZINC000483224300 529629844 /nfs/dbraw/zinc/62/98/44/529629844.db2.gz XCMYFRJPOGQABH-MRXNPFEDSA-N 1 0 231.383 3.570 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000483229802 526721024 /nfs/dbraw/zinc/72/10/24/526721024.db2.gz DUYWUKAMHOVEEL-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000483229803 526652919 /nfs/dbraw/zinc/65/29/19/526652919.db2.gz DUYWUKAMHOVEEL-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000483233044 225238418 /nfs/dbraw/zinc/23/84/18/225238418.db2.gz PUSLCLRYEPLMKE-KFWWJZLASA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000483233045 225237532 /nfs/dbraw/zinc/23/75/32/225237532.db2.gz PUSLCLRYEPLMKE-KKUMJFAQSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000483233046 225237168 /nfs/dbraw/zinc/23/71/68/225237168.db2.gz PUSLCLRYEPLMKE-RRFJBIMHSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000483233047 225237996 /nfs/dbraw/zinc/23/79/96/225237996.db2.gz PUSLCLRYEPLMKE-SOUVJXGZSA-N 1 0 229.367 3.788 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483234135 527937072 /nfs/dbraw/zinc/93/70/72/527937072.db2.gz JFCAJKPYVLXNBE-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483234137 527937598 /nfs/dbraw/zinc/93/75/98/527937598.db2.gz JFCAJKPYVLXNBE-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000483234959 225237567 /nfs/dbraw/zinc/23/75/67/225237567.db2.gz WFFLFWKXHUGGDW-BNOWGMLFSA-N 1 0 217.356 3.786 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000483234961 225238049 /nfs/dbraw/zinc/23/80/49/225238049.db2.gz WFFLFWKXHUGGDW-UBHSHLNASA-N 1 0 217.356 3.786 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000483234962 225238426 /nfs/dbraw/zinc/23/84/26/225238426.db2.gz WFFLFWKXHUGGDW-XBFCOCLRSA-N 1 0 217.356 3.786 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000483234963 225237959 /nfs/dbraw/zinc/23/79/59/225237959.db2.gz WFFLFWKXHUGGDW-YUTCNCBUSA-N 1 0 217.356 3.786 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483238352 225237317 /nfs/dbraw/zinc/23/73/17/225237317.db2.gz CIADSQQJALXYEU-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483238353 225237969 /nfs/dbraw/zinc/23/79/69/225237969.db2.gz CIADSQQJALXYEU-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000483238831 529239846 /nfs/dbraw/zinc/23/98/46/529239846.db2.gz XBTKHBLMBNYPLO-KBPBESRZSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000483238833 529239557 /nfs/dbraw/zinc/23/95/57/529239557.db2.gz XBTKHBLMBNYPLO-KGLIPLIRSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000483238834 529327218 /nfs/dbraw/zinc/32/72/18/529327218.db2.gz XBTKHBLMBNYPLO-UONOGXRCSA-N 1 0 217.356 3.788 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000483238836 529327213 /nfs/dbraw/zinc/32/72/13/529327213.db2.gz XBTKHBLMBNYPLO-ZIAGYGMSSA-N 1 0 217.356 3.788 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483245170 532950019 /nfs/dbraw/zinc/95/00/19/532950019.db2.gz HIZWDFSMELMFON-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO COC(C)(C)CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483245171 532949822 /nfs/dbraw/zinc/94/98/22/532949822.db2.gz HIZWDFSMELMFON-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000483245299 225238303 /nfs/dbraw/zinc/23/83/03/225238303.db2.gz PZSMRYMOPQNBCT-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000483245301 225237814 /nfs/dbraw/zinc/23/78/14/225237814.db2.gz PZSMRYMOPQNBCT-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483246272 225237198 /nfs/dbraw/zinc/23/71/98/225237198.db2.gz ZWHNAQFLFXFGNI-KBPBESRZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483246275 534142248 /nfs/dbraw/zinc/14/22/48/534142248.db2.gz ZWHNAQFLFXFGNI-KGLIPLIRSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483246277 225237612 /nfs/dbraw/zinc/23/76/12/225237612.db2.gz ZWHNAQFLFXFGNI-UONOGXRCSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483246280 534142305 /nfs/dbraw/zinc/14/23/05/534142305.db2.gz ZWHNAQFLFXFGNI-ZIAGYGMSSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483247106 225237551 /nfs/dbraw/zinc/23/75/51/225237551.db2.gz VZMAHNQUWZVDSJ-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483247107 225238183 /nfs/dbraw/zinc/23/81/83/225238183.db2.gz VZMAHNQUWZVDSJ-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483247109 225237859 /nfs/dbraw/zinc/23/78/59/225237859.db2.gz VZMAHNQUWZVDSJ-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483247111 225237937 /nfs/dbraw/zinc/23/79/37/225237937.db2.gz VZMAHNQUWZVDSJ-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCS1 ZINC000483247854 529300704 /nfs/dbraw/zinc/30/07/04/529300704.db2.gz YVFWTLFCWHCYST-KBPBESRZSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCS1 ZINC000483247855 529301058 /nfs/dbraw/zinc/30/10/58/529301058.db2.gz YVFWTLFCWHCYST-KGLIPLIRSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCS1 ZINC000483247856 529401158 /nfs/dbraw/zinc/40/11/58/529401158.db2.gz YVFWTLFCWHCYST-UONOGXRCSA-N 1 0 249.423 3.883 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCS1 ZINC000483247857 529401540 /nfs/dbraw/zinc/40/15/40/529401540.db2.gz YVFWTLFCWHCYST-ZIAGYGMSSA-N 1 0 249.423 3.883 20 0 BHADRO Clc1sccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000483259092 225238434 /nfs/dbraw/zinc/23/84/34/225238434.db2.gz VXIMARZTWLITFR-AOOOYVTPSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1sccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000483259094 225238096 /nfs/dbraw/zinc/23/80/96/225238096.db2.gz VXIMARZTWLITFR-NXEZZACHSA-N 1 0 241.787 3.633 20 0 BHADRO Clc1sccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000483259095 225237210 /nfs/dbraw/zinc/23/72/10/225237210.db2.gz VXIMARZTWLITFR-UWVGGRQHSA-N 1 0 241.787 3.633 20 0 BHADRO FC(F)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000483259615 225237535 /nfs/dbraw/zinc/23/75/35/225237535.db2.gz XBJALMGRJKGNQQ-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000483262357 527800087 /nfs/dbraw/zinc/80/00/87/527800087.db2.gz QJXUVZJGLFKJQB-JTQLQIEISA-N 1 0 243.803 3.879 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000483262358 528699620 /nfs/dbraw/zinc/69/96/20/528699620.db2.gz QJXUVZJGLFKJQB-SNVBAGLBSA-N 1 0 243.803 3.879 20 0 BHADRO C[N@H+](CCCC1CCCC1)CCC(F)(F)F ZINC000483263263 529880641 /nfs/dbraw/zinc/88/06/41/529880641.db2.gz NDWFKLQRBQIJPN-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccsc1Cl ZINC000483265551 529314418 /nfs/dbraw/zinc/31/44/18/529314418.db2.gz IDAOFTIKICQLDC-SECBINFHSA-N 1 0 231.792 3.879 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccsc1Cl ZINC000483265562 529650764 /nfs/dbraw/zinc/65/07/64/529650764.db2.gz IDAOFTIKICQLDC-VIFPVBQESA-N 1 0 231.792 3.879 20 0 BHADRO C1=C[C@H]([N@H+](CC2CC2)CC2CCC2)CCC1 ZINC000483267673 526420196 /nfs/dbraw/zinc/42/01/96/526420196.db2.gz YOXHWOPFKJJZHD-HNNXBMFYSA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@@H]([N@H+](CC2CC2)CC2CCC2)CCC1 ZINC000483267684 526419092 /nfs/dbraw/zinc/41/90/92/526419092.db2.gz YOXHWOPFKJJZHD-OAHLLOKOSA-N 1 0 219.372 3.607 20 0 BHADRO CCCC[N@H+](CCCF)Cc1ccccc1F ZINC000483269774 528408665 /nfs/dbraw/zinc/40/86/65/528408665.db2.gz NMSRGUXJEOREQV-UHFFFAOYSA-N 1 0 241.325 3.787 20 0 BHADRO C[N@H+](Cc1ccsc1Cl)CC(C)(C)C ZINC000483278015 530013800 /nfs/dbraw/zinc/01/38/00/530013800.db2.gz BDPVVNHBIUZUFA-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccsc2Cl)C1 ZINC000483285343 225238762 /nfs/dbraw/zinc/23/87/62/225238762.db2.gz XNRAEPIPHXYBQQ-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccsc1Cl ZINC000483285344 533807855 /nfs/dbraw/zinc/80/78/55/533807855.db2.gz XNRAEPIPHXYBQQ-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccsc2Cl)C1 ZINC000483285345 225239558 /nfs/dbraw/zinc/23/95/58/225239558.db2.gz XNRAEPIPHXYBQQ-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccsc2Cl)C1 ZINC000483285346 225238806 /nfs/dbraw/zinc/23/88/06/225238806.db2.gz XNRAEPIPHXYBQQ-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO Clc1sccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000483288167 225239301 /nfs/dbraw/zinc/23/93/01/225239301.db2.gz WKNKAQSREIQHMU-JTQLQIEISA-N 1 0 241.787 3.633 20 0 BHADRO Clc1sccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000483288168 225239602 /nfs/dbraw/zinc/23/96/02/225239602.db2.gz WKNKAQSREIQHMU-SNVBAGLBSA-N 1 0 241.787 3.633 20 0 BHADRO CCC[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000483289911 528470324 /nfs/dbraw/zinc/47/03/24/528470324.db2.gz NYIQYNZJIBMFQF-UHFFFAOYSA-N 1 0 235.371 3.710 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C1CC1 ZINC000483290825 529618346 /nfs/dbraw/zinc/61/83/46/529618346.db2.gz ALHSPIMJLCSSKL-BBRMVZONSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000483290826 529610483 /nfs/dbraw/zinc/61/04/83/529610483.db2.gz ALHSPIMJLCSSKL-CJNGLKHVSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000483290827 529173294 /nfs/dbraw/zinc/17/32/94/529173294.db2.gz ALHSPIMJLCSSKL-CZUORRHYSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C1CC1 ZINC000483290828 529177857 /nfs/dbraw/zinc/17/78/57/529177857.db2.gz ALHSPIMJLCSSKL-XJKSGUPXSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000483291515 528420094 /nfs/dbraw/zinc/42/00/94/528420094.db2.gz AATWODMPIWYEMJ-CYBMUJFWSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000483291516 528970533 /nfs/dbraw/zinc/97/05/33/528970533.db2.gz AATWODMPIWYEMJ-ZDUSSCGKSA-N 1 0 247.382 3.610 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000483291894 225239153 /nfs/dbraw/zinc/23/91/53/225239153.db2.gz FVVBMNPCASWPFH-KBPBESRZSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000483291895 225239859 /nfs/dbraw/zinc/23/98/59/225239859.db2.gz FVVBMNPCASWPFH-KGLIPLIRSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000483291897 225239954 /nfs/dbraw/zinc/23/99/54/225239954.db2.gz FVVBMNPCASWPFH-UONOGXRCSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000483291898 225238855 /nfs/dbraw/zinc/23/88/55/225238855.db2.gz FVVBMNPCASWPFH-ZIAGYGMSSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000483300634 529327132 /nfs/dbraw/zinc/32/71/32/529327132.db2.gz YCZUXKHAJPNIOU-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000483300636 529239276 /nfs/dbraw/zinc/23/92/76/529239276.db2.gz YCZUXKHAJPNIOU-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)C(C)C)cc1 ZINC000483302202 225239067 /nfs/dbraw/zinc/23/90/67/225239067.db2.gz IZRKPPYDZNMHHY-KBPBESRZSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)C(C)C)cc1 ZINC000483302203 225239240 /nfs/dbraw/zinc/23/92/40/225239240.db2.gz IZRKPPYDZNMHHY-KGLIPLIRSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)C(C)C)cc1 ZINC000483302204 225239424 /nfs/dbraw/zinc/23/94/24/225239424.db2.gz IZRKPPYDZNMHHY-UONOGXRCSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@H](C)C(C)C)cc1 ZINC000483302205 225239619 /nfs/dbraw/zinc/23/96/19/225239619.db2.gz IZRKPPYDZNMHHY-ZIAGYGMSSA-N 1 0 249.398 3.823 20 0 BHADRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCF)c1 ZINC000483303501 225239294 /nfs/dbraw/zinc/23/92/94/225239294.db2.gz MWJWIJQMWWKOHA-HNNXBMFYSA-N 1 0 235.346 3.800 20 0 BHADRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCF)c1 ZINC000483303502 533713449 /nfs/dbraw/zinc/71/34/49/533713449.db2.gz MWJWIJQMWWKOHA-OAHLLOKOSA-N 1 0 235.346 3.800 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000483304799 529393635 /nfs/dbraw/zinc/39/36/35/529393635.db2.gz FMVINBRHEMHWNQ-CHWSQXEVSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000483304806 529413786 /nfs/dbraw/zinc/41/37/86/529413786.db2.gz FMVINBRHEMHWNQ-OLZOCXBDSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000483304808 529207139 /nfs/dbraw/zinc/20/71/39/529207139.db2.gz FMVINBRHEMHWNQ-QWHCGFSZSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000483304810 529242448 /nfs/dbraw/zinc/24/24/48/529242448.db2.gz FMVINBRHEMHWNQ-STQMWFEESA-N 1 0 235.371 3.528 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H](C)C(C)C)C1CCCC1 ZINC000483305213 528049641 /nfs/dbraw/zinc/04/96/41/528049641.db2.gz KZOMNCODZJHKMJ-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H](C)C(C)C)C1CCCC1 ZINC000483305215 527730755 /nfs/dbraw/zinc/73/07/55/527730755.db2.gz KZOMNCODZJHKMJ-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@H](C)C(C)C)C1CCCC1 ZINC000483305216 528050312 /nfs/dbraw/zinc/05/03/12/528050312.db2.gz KZOMNCODZJHKMJ-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H](C)C(C)C)C1CCCC1 ZINC000483305217 527729980 /nfs/dbraw/zinc/72/99/80/527729980.db2.gz KZOMNCODZJHKMJ-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CCCCC[N@@H+]1Cc2ccc(C)cc2C1 ZINC000483306259 528186693 /nfs/dbraw/zinc/18/66/93/528186693.db2.gz DNYCLBDQJROTSB-UHFFFAOYSA-N 1 0 203.329 3.501 20 0 BHADRO CC/C=C\CC[N@H+](CC1CC1)C1CCC1 ZINC000483308346 528789096 /nfs/dbraw/zinc/78/90/96/528789096.db2.gz PHYYLBMTFQVPAU-ARJAWSKDSA-N 1 0 207.361 3.607 20 0 BHADRO CC/C=C/CC[N@H+](CC1CC1)C1CCC1 ZINC000483308347 528770192 /nfs/dbraw/zinc/77/01/92/528770192.db2.gz PHYYLBMTFQVPAU-ONEGZZNKSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1OC)C(C)C ZINC000483309083 323353304 /nfs/dbraw/zinc/35/33/04/323353304.db2.gz RRIYUCNVCRRTSG-AWEZNQCLSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC)C(C)C ZINC000483309096 323353286 /nfs/dbraw/zinc/35/32/86/323353286.db2.gz RRIYUCNVCRRTSG-CQSZACIVSA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000483309372 528419101 /nfs/dbraw/zinc/41/91/01/528419101.db2.gz OLYMIOABBSPEAF-DOMZBBRYSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000483309373 528419005 /nfs/dbraw/zinc/41/90/05/528419005.db2.gz OLYMIOABBSPEAF-IUODEOHRSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000483309375 528971024 /nfs/dbraw/zinc/97/10/24/528971024.db2.gz OLYMIOABBSPEAF-SWLSCSKDSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000483309377 528970474 /nfs/dbraw/zinc/97/04/74/528970474.db2.gz OLYMIOABBSPEAF-WFASDCNBSA-N 1 0 249.423 3.651 20 0 BHADRO Cc1ccc(CC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000483309752 533784336 /nfs/dbraw/zinc/78/43/36/533784336.db2.gz UVURQJDSOLNLQV-UHFFFAOYSA-N 1 0 243.394 3.802 20 0 BHADRO c1cc(CCC[N@H+](CC2CC2)C2CCC2)cs1 ZINC000483310044 225239345 /nfs/dbraw/zinc/23/93/45/225239345.db2.gz UZAAUXYPWPURDS-UHFFFAOYSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000483310640 533882902 /nfs/dbraw/zinc/88/29/02/533882902.db2.gz RIYZQZHNKCSBRV-HOSYDEDBSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000483310641 225239196 /nfs/dbraw/zinc/23/91/96/225239196.db2.gz RIYZQZHNKCSBRV-JBLDHEPKSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000483310642 225239484 /nfs/dbraw/zinc/23/94/84/225239484.db2.gz RIYZQZHNKCSBRV-NHCYSSNCSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000483310643 533884683 /nfs/dbraw/zinc/88/46/83/533884683.db2.gz RIYZQZHNKCSBRV-UMNHJUIQSA-N 1 0 249.320 3.743 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+][C@H](C)C1CC1 ZINC000483312620 528617196 /nfs/dbraw/zinc/61/71/96/528617196.db2.gz SRDOVKLJJXSRTQ-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CC1 ZINC000483312621 528617085 /nfs/dbraw/zinc/61/70/85/528617085.db2.gz SRDOVKLJJXSRTQ-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000483313731 533881602 /nfs/dbraw/zinc/88/16/02/533881602.db2.gz XNTYHZWMBZMULT-DLOVCJGASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1CC1 ZINC000483313732 225239746 /nfs/dbraw/zinc/23/97/46/225239746.db2.gz XNTYHZWMBZMULT-MVWJERBFSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000483313733 225239838 /nfs/dbraw/zinc/23/98/38/225239838.db2.gz XNTYHZWMBZMULT-WCQGTBRESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC1 ZINC000483313734 225239547 /nfs/dbraw/zinc/23/95/47/225239547.db2.gz XNTYHZWMBZMULT-ZMLRMANQSA-N 1 0 249.320 3.743 20 0 BHADRO FC(F)(F)CCCC[N@H+](CC1CC1)C1CCC1 ZINC000483315342 534381168 /nfs/dbraw/zinc/38/11/68/534381168.db2.gz OEIKAPXGKJGGHP-UHFFFAOYSA-N 1 0 249.320 3.984 20 0 BHADRO c1ccc(CCC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000483316020 534485902 /nfs/dbraw/zinc/48/59/02/534485902.db2.gz QYKNNGCKSAXZOD-UHFFFAOYSA-N 1 0 243.394 3.884 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CC2)c(OC(C)C)c1 ZINC000483316585 534086232 /nfs/dbraw/zinc/08/62/32/534086232.db2.gz QGEAGTNTNIRBOT-CYBMUJFWSA-N 1 0 247.382 3.670 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CC2)c(OC(C)C)c1 ZINC000483316586 534077132 /nfs/dbraw/zinc/07/71/32/534077132.db2.gz QGEAGTNTNIRBOT-ZDUSSCGKSA-N 1 0 247.382 3.670 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000483316752 528419594 /nfs/dbraw/zinc/41/95/94/528419594.db2.gz VRWSYODAIBAISB-GHMZBOCLSA-N 1 0 241.325 3.702 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000483316753 528970634 /nfs/dbraw/zinc/97/06/34/528970634.db2.gz VRWSYODAIBAISB-MNOVXSKESA-N 1 0 241.325 3.702 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000483316755 528970757 /nfs/dbraw/zinc/97/07/57/528970757.db2.gz VRWSYODAIBAISB-QWRGUYRKSA-N 1 0 241.325 3.702 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000483316756 528418878 /nfs/dbraw/zinc/41/88/78/528418878.db2.gz VRWSYODAIBAISB-WDEREUQCSA-N 1 0 241.325 3.702 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CCC1CCCCC1 ZINC000483316993 225240820 /nfs/dbraw/zinc/24/08/20/225240820.db2.gz SGFBVNHFQOJXIQ-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CCC1CCCCC1 ZINC000483316994 534258181 /nfs/dbraw/zinc/25/81/81/534258181.db2.gz SGFBVNHFQOJXIQ-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CC(C)OC1CC([NH2+]CCC2CCCCC2)C1 ZINC000483319845 527879192 /nfs/dbraw/zinc/87/91/92/527879192.db2.gz GBHSAHIEXSGXMR-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC1=C(C)C[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC000483334123 528090029 /nfs/dbraw/zinc/09/00/29/528090029.db2.gz AXZLQIVDARHJFA-CYBMUJFWSA-N 1 0 233.330 3.929 20 0 BHADRO CC1=C(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000483334124 528091045 /nfs/dbraw/zinc/09/10/45/528091045.db2.gz AXZLQIVDARHJFA-ZDUSSCGKSA-N 1 0 233.330 3.929 20 0 BHADRO C[C@@H]([NH2+]CCCCCc1ccc(F)cc1)C1CC1 ZINC000483335470 225240567 /nfs/dbraw/zinc/24/05/67/225240567.db2.gz CNNPRDWASKWNNQ-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@H]([NH2+]CCCCCc1ccc(F)cc1)C1CC1 ZINC000483335473 225241541 /nfs/dbraw/zinc/24/15/41/225241541.db2.gz CNNPRDWASKWNNQ-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000483338958 529393626 /nfs/dbraw/zinc/39/36/26/529393626.db2.gz QSEWQDHQPXHPPO-BXUZGUMPSA-N 1 0 249.398 3.576 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000483338967 529241880 /nfs/dbraw/zinc/24/18/80/529241880.db2.gz QSEWQDHQPXHPPO-FZMZJTMJSA-N 1 0 249.398 3.576 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000483338968 529413650 /nfs/dbraw/zinc/41/36/50/529413650.db2.gz QSEWQDHQPXHPPO-RISCZKNCSA-N 1 0 249.398 3.576 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000483338971 529206475 /nfs/dbraw/zinc/20/64/75/529206475.db2.gz QSEWQDHQPXHPPO-SMDDNHRTSA-N 1 0 249.398 3.576 20 0 BHADRO CC1=C(C)C[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC000483339272 528090822 /nfs/dbraw/zinc/09/08/22/528090822.db2.gz JROTXORKCPZYLB-AWEZNQCLSA-N 1 0 215.340 3.790 20 0 BHADRO CC1=C(C)C[N@H+]([C@H](C)c2ccccc2)CC1 ZINC000483339274 528090179 /nfs/dbraw/zinc/09/01/79/528090179.db2.gz JROTXORKCPZYLB-CQSZACIVSA-N 1 0 215.340 3.790 20 0 BHADRO CC1=C(C)C[N@H+](CCCc2ccsc2)CC1 ZINC000483339570 528090812 /nfs/dbraw/zinc/09/08/12/528090812.db2.gz RTSRZSXOSDFARR-UHFFFAOYSA-N 1 0 235.396 3.723 20 0 BHADRO CC[C@H]([NH2+]CCc1cc(C)c(O)c(C)c1)C(C)C ZINC000483340849 529606386 /nfs/dbraw/zinc/60/63/86/529606386.db2.gz SOJMPPOBNXDZIS-HNNXBMFYSA-N 1 0 249.398 3.576 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc(C)c(O)c(C)c1)C(C)C ZINC000483340850 529168980 /nfs/dbraw/zinc/16/89/80/529168980.db2.gz SOJMPPOBNXDZIS-OAHLLOKOSA-N 1 0 249.398 3.576 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000483344356 533767755 /nfs/dbraw/zinc/76/77/55/533767755.db2.gz REHOYYYPFRNWPT-AWEZNQCLSA-N 1 0 245.366 3.798 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000483344357 533700522 /nfs/dbraw/zinc/70/05/22/533700522.db2.gz REHOYYYPFRNWPT-CQSZACIVSA-N 1 0 245.366 3.798 20 0 BHADRO CC1=C(C)C[N@H+](CCCc2ccccc2)CC1 ZINC000483352976 528091148 /nfs/dbraw/zinc/09/11/48/528091148.db2.gz KAPQRSQJHSMKRV-UHFFFAOYSA-N 1 0 229.367 3.661 20 0 BHADRO CC1=C(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000483354541 528090946 /nfs/dbraw/zinc/09/09/46/528090946.db2.gz MJVLPXVFSPTLOC-CYBMUJFWSA-N 1 0 233.330 3.929 20 0 BHADRO CC1=C(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000483354543 528091097 /nfs/dbraw/zinc/09/10/97/528091097.db2.gz MJVLPXVFSPTLOC-ZDUSSCGKSA-N 1 0 233.330 3.929 20 0 BHADRO Clc1sccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000483354771 225240259 /nfs/dbraw/zinc/24/02/59/225240259.db2.gz JHOAERABMCHMLO-MWLCHTKSSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1sccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000483354775 225241407 /nfs/dbraw/zinc/24/14/07/225241407.db2.gz JHOAERABMCHMLO-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccccc1N(C)C(C)C ZINC000483357675 528970662 /nfs/dbraw/zinc/97/06/62/528970662.db2.gz YFMQXADEPZOWQP-AWEZNQCLSA-N 1 0 248.414 3.665 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C(C)C ZINC000483357676 528421231 /nfs/dbraw/zinc/42/12/31/528421231.db2.gz YFMQXADEPZOWQP-CQSZACIVSA-N 1 0 248.414 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2ncsc2c1 ZINC000483361211 533531542 /nfs/dbraw/zinc/53/15/42/533531542.db2.gz TYSOZVYBPJZDDY-NXEZZACHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2ncsc2c1 ZINC000483361220 533973014 /nfs/dbraw/zinc/97/30/14/533973014.db2.gz TYSOZVYBPJZDDY-UWVGGRQHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2ncsc2c1 ZINC000483361222 533495156 /nfs/dbraw/zinc/49/51/56/533495156.db2.gz TYSOZVYBPJZDDY-VHSXEESVSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C1CC1 ZINC000483361224 533504208 /nfs/dbraw/zinc/50/42/08/533504208.db2.gz TYSOZVYBPJZDDY-ZJUUUORDSA-N 1 0 246.379 3.745 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000483362345 528420314 /nfs/dbraw/zinc/42/03/14/528420314.db2.gz YYADPCUCTWJEBM-GHMZBOCLSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000483362346 528421358 /nfs/dbraw/zinc/42/13/58/528421358.db2.gz YYADPCUCTWJEBM-MNOVXSKESA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000483362347 528971918 /nfs/dbraw/zinc/97/19/18/528971918.db2.gz YYADPCUCTWJEBM-QWRGUYRKSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000483362348 528972088 /nfs/dbraw/zinc/97/20/88/528972088.db2.gz YYADPCUCTWJEBM-WDEREUQCSA-N 1 0 248.395 3.991 20 0 BHADRO CC1=C(C)C[N@H+]([C@H](C)c2ccccc2F)CC1 ZINC000483365312 528091181 /nfs/dbraw/zinc/09/11/81/528091181.db2.gz KCCADAADSUISJW-CYBMUJFWSA-N 1 0 233.330 3.929 20 0 BHADRO CC1=C(C)C[N@H+]([C@@H](C)c2ccccc2F)CC1 ZINC000483365313 528091084 /nfs/dbraw/zinc/09/10/84/528091084.db2.gz KCCADAADSUISJW-ZDUSSCGKSA-N 1 0 233.330 3.929 20 0 BHADRO CC1=C(C)C[N@H+](CCCCC(F)(F)F)CC1 ZINC000483365605 528089788 /nfs/dbraw/zinc/08/97/88/528089788.db2.gz LDMJQCMEUHBOFC-UHFFFAOYSA-N 1 0 235.293 3.761 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000483372742 225241047 /nfs/dbraw/zinc/24/10/47/225241047.db2.gz WQHXLKULBGDMTO-JLJPHGGASA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000483372743 534013974 /nfs/dbraw/zinc/01/39/74/534013974.db2.gz WQHXLKULBGDMTO-LXZKKBNFSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000483372744 534011484 /nfs/dbraw/zinc/01/14/84/534011484.db2.gz WQHXLKULBGDMTO-QRTARXTBSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000483372745 225241426 /nfs/dbraw/zinc/24/14/26/225241426.db2.gz WQHXLKULBGDMTO-YSVLISHTSA-N 1 0 243.394 3.786 20 0 BHADRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCCF ZINC000483375799 225241301 /nfs/dbraw/zinc/24/13/01/225241301.db2.gz IUWJAPNMODZIND-HNNXBMFYSA-N 1 0 237.362 3.984 20 0 BHADRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCCF ZINC000483375800 225240938 /nfs/dbraw/zinc/24/09/38/225240938.db2.gz IUWJAPNMODZIND-OAHLLOKOSA-N 1 0 237.362 3.984 20 0 BHADRO CC(C)(C)C[N@H+](CCCF)Cc1ccccc1 ZINC000483377069 527682060 /nfs/dbraw/zinc/68/20/60/527682060.db2.gz XMCFGWUNPQKMKI-UHFFFAOYSA-N 1 0 237.362 3.894 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@@H](C)O1 ZINC000483379168 529400763 /nfs/dbraw/zinc/40/07/63/529400763.db2.gz MMBSBKNHKOJUGT-QLFBSQMISA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@@H](C)O1 ZINC000483379172 529401772 /nfs/dbraw/zinc/40/17/72/529401772.db2.gz MMBSBKNHKOJUGT-RBSFLKMASA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@H](C)O1 ZINC000483379175 529401923 /nfs/dbraw/zinc/40/19/23/529401923.db2.gz MMBSBKNHKOJUGT-RRFJBIMHSA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@H](C)O1 ZINC000483379179 529401074 /nfs/dbraw/zinc/40/10/74/529401074.db2.gz MMBSBKNHKOJUGT-SOUVJXGZSA-N 1 0 247.382 3.555 20 0 BHADRO CC1=C(C)C[N@H+](CCCCOC(C)(C)C)CC1 ZINC000483381845 528090204 /nfs/dbraw/zinc/09/02/04/528090204.db2.gz WGHOEIVRUVTJFM-UHFFFAOYSA-N 1 0 239.403 3.624 20 0 BHADRO FCCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000483383005 534430571 /nfs/dbraw/zinc/43/05/71/534430571.db2.gz SESURVBUKKIKHK-UHFFFAOYSA-N 1 0 249.373 3.833 20 0 BHADRO CC1=C(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000483384872 528092100 /nfs/dbraw/zinc/09/21/00/528092100.db2.gz OLDYBWMBJFBCSM-INIZCTEOSA-N 1 0 245.341 3.855 20 0 BHADRO CC1=C(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000483384873 528090897 /nfs/dbraw/zinc/09/08/97/528090897.db2.gz OLDYBWMBJFBCSM-MRXNPFEDSA-N 1 0 245.341 3.855 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000483388167 533039699 /nfs/dbraw/zinc/03/96/99/533039699.db2.gz ZGTQFJOFKIMDKE-UHFFFAOYSA-N 1 0 247.407 3.951 20 0 BHADRO Cc1ccc2ccccc2c1C[NH+]1CCCC1 ZINC000483390053 534485805 /nfs/dbraw/zinc/48/58/05/534485805.db2.gz BPLFHRDKKSZTKZ-UHFFFAOYSA-N 1 0 225.335 3.744 20 0 BHADRO Cc1ccc2ccccc2c1C[N@@H+](C)C1CC1 ZINC000483399373 534485611 /nfs/dbraw/zinc/48/56/11/534485611.db2.gz AUUKOIZEKOLZQC-UHFFFAOYSA-N 1 0 225.335 3.742 20 0 BHADRO CCC[N@H+](CCCF)[C@H]1CCc2ccccc2C1 ZINC000483399976 528063406 /nfs/dbraw/zinc/06/34/06/528063406.db2.gz BPNRDKCUFJZVMX-INIZCTEOSA-N 1 0 249.373 3.616 20 0 BHADRO CCC[N@H+](CCCF)[C@@H]1CCc2ccccc2C1 ZINC000483399977 528064071 /nfs/dbraw/zinc/06/40/71/528064071.db2.gz BPNRDKCUFJZVMX-MRXNPFEDSA-N 1 0 249.373 3.616 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCCF)c(C)c1 ZINC000483401261 225242348 /nfs/dbraw/zinc/24/23/48/225242348.db2.gz FBTDZYCOCRKTOZ-CYBMUJFWSA-N 1 0 223.335 3.656 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCCF)c(C)c1 ZINC000483401271 225243105 /nfs/dbraw/zinc/24/31/05/225243105.db2.gz FBTDZYCOCRKTOZ-ZDUSSCGKSA-N 1 0 223.335 3.656 20 0 BHADRO CCC[N@H+](CCCF)[C@H]1CCc2ccccc21 ZINC000483403795 528063004 /nfs/dbraw/zinc/06/30/04/528063004.db2.gz IKGKTMMMOVTLGK-HNNXBMFYSA-N 1 0 235.346 3.746 20 0 BHADRO CCC[N@H+](CCCF)[C@@H]1CCc2ccccc21 ZINC000483403797 528063537 /nfs/dbraw/zinc/06/35/37/528063537.db2.gz IKGKTMMMOVTLGK-OAHLLOKOSA-N 1 0 235.346 3.746 20 0 BHADRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCC2CC2)C1 ZINC000483404146 225243117 /nfs/dbraw/zinc/24/31/17/225243117.db2.gz IUZQNMPYARUHAS-INIZCTEOSA-N 1 0 247.357 3.589 20 0 BHADRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC2CC2)C1 ZINC000483404163 225242336 /nfs/dbraw/zinc/24/23/36/225242336.db2.gz IUZQNMPYARUHAS-MRXNPFEDSA-N 1 0 247.357 3.589 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCC(C)CC1 ZINC000483404588 225242134 /nfs/dbraw/zinc/24/21/34/225242134.db2.gz JNHLZHFQRJHLGR-AWEZNQCLSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCC(C)CC1 ZINC000483404589 225242689 /nfs/dbraw/zinc/24/26/89/225242689.db2.gz JNHLZHFQRJHLGR-CQSZACIVSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000483404823 225243048 /nfs/dbraw/zinc/24/30/48/225243048.db2.gz JFOZLISKHBSXAY-GXTWGEPZSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000483404825 225242788 /nfs/dbraw/zinc/24/27/88/225242788.db2.gz JFOZLISKHBSXAY-JSGCOSHPSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000483404827 225242253 /nfs/dbraw/zinc/24/22/53/225242253.db2.gz JFOZLISKHBSXAY-OCCSQVGLSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000483404828 225242073 /nfs/dbraw/zinc/24/20/73/225242073.db2.gz JFOZLISKHBSXAY-TZMCWYRMSA-N 1 0 217.356 3.788 20 0 BHADRO CCC1CCC([N@H+](CCCF)C2CC2)CC1 ZINC000483405292 527843719 /nfs/dbraw/zinc/84/37/19/527843719.db2.gz KPPQCIXJHULHMT-UHFFFAOYSA-N 1 0 227.367 3.779 20 0 BHADRO C[N@H+](CCCF)C1CCC(C(C)(C)C)CC1 ZINC000483411908 529885639 /nfs/dbraw/zinc/88/56/39/529885639.db2.gz WGFGBBFYQTVTHG-UHFFFAOYSA-N 1 0 229.383 3.883 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccccc2)cc1F ZINC000483413282 533875010 /nfs/dbraw/zinc/87/50/10/533875010.db2.gz WYHKKQYQGOOHLZ-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000483413362 225242509 /nfs/dbraw/zinc/24/25/09/225242509.db2.gz CHNFIWRWJBUGNM-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000483413364 225242536 /nfs/dbraw/zinc/24/25/36/225242536.db2.gz CHNFIWRWJBUGNM-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000483415145 534431174 /nfs/dbraw/zinc/43/11/74/534431174.db2.gz FOURPPJZGDNHJQ-AWEZNQCLSA-N 1 0 227.367 3.781 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000483415146 534432253 /nfs/dbraw/zinc/43/22/53/534432253.db2.gz FOURPPJZGDNHJQ-CQSZACIVSA-N 1 0 227.367 3.781 20 0 BHADRO CCc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1 ZINC000483419171 529642121 /nfs/dbraw/zinc/64/21/21/529642121.db2.gz HKVOBIIIJXUNIJ-CYBMUJFWSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1 ZINC000483419172 529641886 /nfs/dbraw/zinc/64/18/86/529641886.db2.gz HKVOBIIIJXUNIJ-ZDUSSCGKSA-N 1 0 249.423 3.576 20 0 BHADRO CC(C)C[N@H+](CCCF)CCc1ccccc1 ZINC000483421735 527938500 /nfs/dbraw/zinc/93/85/00/527938500.db2.gz OHNSBDKERRXZMA-UHFFFAOYSA-N 1 0 237.362 3.547 20 0 BHADRO Cc1cccc(C[N@H+]2CCSCC[C@H]2C)c1C ZINC000483422198 534709484 /nfs/dbraw/zinc/70/94/84/534709484.db2.gz QAXAXDWLRJNDOW-CYBMUJFWSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cccc(C[N@H+]2CCSCC[C@@H]2C)c1C ZINC000483422199 534708697 /nfs/dbraw/zinc/70/86/97/534708697.db2.gz QAXAXDWLRJNDOW-ZDUSSCGKSA-N 1 0 249.423 3.631 20 0 BHADRO C[C@@H]1CCSCC[N@@H+]1C/C=C\c1ccccc1 ZINC000483422434 534123494 /nfs/dbraw/zinc/12/34/94/534123494.db2.gz QIBTXOXDZDEYSX-BMWLXYDHSA-N 1 0 247.407 3.527 20 0 BHADRO FCCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000483423704 534430795 /nfs/dbraw/zinc/43/07/95/534430795.db2.gz UQDTYSIZFLQTQC-UHFFFAOYSA-N 1 0 249.373 3.691 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000483425343 533668255 /nfs/dbraw/zinc/66/82/55/533668255.db2.gz ILYDCKXONWDAAI-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000483425344 533668951 /nfs/dbraw/zinc/66/89/51/533668951.db2.gz ILYDCKXONWDAAI-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1C ZINC000483425814 533942066 /nfs/dbraw/zinc/94/20/66/533942066.db2.gz KLSHIBUCDMAANX-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1C ZINC000483425815 533941869 /nfs/dbraw/zinc/94/18/69/533941869.db2.gz KLSHIBUCDMAANX-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCF)cc1C ZINC000483426832 225242370 /nfs/dbraw/zinc/24/23/70/225242370.db2.gz HBZWQWWFEZZPMW-HNNXBMFYSA-N 1 0 235.346 3.800 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CCCF)cc1C ZINC000483426833 225243070 /nfs/dbraw/zinc/24/30/70/225243070.db2.gz HBZWQWWFEZZPMW-OAHLLOKOSA-N 1 0 235.346 3.800 20 0 BHADRO CCC[N@H+](CCCF)CC1CCCCC1 ZINC000483426991 528062930 /nfs/dbraw/zinc/06/29/30/528062930.db2.gz QCZCUTNLMDWLQN-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC2CCC2)C1 ZINC000483427267 225244453 /nfs/dbraw/zinc/24/44/53/225244453.db2.gz RDISPCRWDFLSQU-INIZCTEOSA-N 1 0 247.357 3.589 20 0 BHADRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC2CCC2)C1 ZINC000483427268 225244265 /nfs/dbraw/zinc/24/42/65/225244265.db2.gz RDISPCRWDFLSQU-MRXNPFEDSA-N 1 0 247.357 3.589 20 0 BHADRO Cc1ccc(C[N@H+]2CCSCC[C@@H]2C)c(C)c1 ZINC000483427537 533941159 /nfs/dbraw/zinc/94/11/59/533941159.db2.gz SAYZVCWTGIECDS-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C[N@H+]2CCSCC[C@H]2C)c(C)c1 ZINC000483427539 533941852 /nfs/dbraw/zinc/94/18/52/533941852.db2.gz SAYZVCWTGIECDS-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO CCc1ccc(C[N@H+](CCCF)C2CC2)cc1 ZINC000483428155 529637473 /nfs/dbraw/zinc/63/74/73/529637473.db2.gz BNZAZAOLSJHDGS-UHFFFAOYSA-N 1 0 235.346 3.573 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCCF ZINC000483428521 529256566 /nfs/dbraw/zinc/25/65/66/529256566.db2.gz OIGBRYLRBPHLEL-AWEZNQCLSA-N 1 0 223.335 3.819 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCCF ZINC000483428522 529181539 /nfs/dbraw/zinc/18/15/39/529181539.db2.gz OIGBRYLRBPHLEL-CQSZACIVSA-N 1 0 223.335 3.819 20 0 BHADRO CC(C)C[N@H+](CCCF)Cc1ccccc1F ZINC000483428776 527939298 /nfs/dbraw/zinc/93/92/98/527939298.db2.gz OOUSDBUYMAKGCM-UHFFFAOYSA-N 1 0 241.325 3.643 20 0 BHADRO CC(C)[N@H+](CCCF)Cc1cccc(Cl)c1 ZINC000483429032 528880579 /nfs/dbraw/zinc/88/05/79/528880579.db2.gz XTTGVDSRBCDZRT-UHFFFAOYSA-N 1 0 243.753 3.910 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCSCC[C@@H]1C ZINC000483429041 534665680 /nfs/dbraw/zinc/66/56/80/534665680.db2.gz XVYHBINDPNDBSA-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCSCC[C@H]1C ZINC000483429042 534665991 /nfs/dbraw/zinc/66/59/91/534665991.db2.gz XVYHBINDPNDBSA-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cccc(C[N@@H+](CCCF)CC(C)C)c1 ZINC000483429929 534705142 /nfs/dbraw/zinc/70/51/42/534705142.db2.gz HPEGQUQQEDKZFX-UHFFFAOYSA-N 1 0 237.362 3.813 20 0 BHADRO CC(C)CC[NH+](CCCF)CCC(C)C ZINC000483430640 527720090 /nfs/dbraw/zinc/72/00/90/527720090.db2.gz JZEDMLODCPFRRD-UHFFFAOYSA-N 1 0 217.372 3.740 20 0 BHADRO CC(C)CC[N@H+](CCCF)C1CCCC1 ZINC000483430896 527719843 /nfs/dbraw/zinc/71/98/43/527719843.db2.gz XYUBJLFBYYCIMJ-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000483438539 528764421 /nfs/dbraw/zinc/76/44/21/528764421.db2.gz JMZXOJJRGJNWBS-DOMZBBRYSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000483438540 528764775 /nfs/dbraw/zinc/76/47/75/528764775.db2.gz JMZXOJJRGJNWBS-IUODEOHRSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000483438542 528894289 /nfs/dbraw/zinc/89/42/89/528894289.db2.gz JMZXOJJRGJNWBS-SWLSCSKDSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000483438543 528895241 /nfs/dbraw/zinc/89/52/41/528895241.db2.gz JMZXOJJRGJNWBS-WFASDCNBSA-N 1 0 247.382 3.938 20 0 BHADRO FC(F)C1CC[NH+](CCC2CCCC2)CC1 ZINC000483509856 225244398 /nfs/dbraw/zinc/24/43/98/225244398.db2.gz DJMKPVMAVKMCDK-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CCC(C)(C)CC[NH+]1CCC(C(F)F)CC1 ZINC000483511514 528500678 /nfs/dbraw/zinc/50/06/78/528500678.db2.gz JFFVGIMZJBTVDA-UHFFFAOYSA-N 1 0 233.346 3.790 20 0 BHADRO CCCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483518033 528186392 /nfs/dbraw/zinc/18/63/92/528186392.db2.gz VBWYAQYWUHZUKA-UHFFFAOYSA-N 1 0 239.309 3.513 20 0 BHADRO CCCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000483518768 528359637 /nfs/dbraw/zinc/35/96/37/528359637.db2.gz JPXMVDWPQUBFPB-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CCC(C(F)F)CC1 ZINC000483519495 225244179 /nfs/dbraw/zinc/24/41/79/225244179.db2.gz NKIMPYKVHFDRNW-LLVKDONJSA-N 1 0 239.309 3.725 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CCC(C(F)F)CC1 ZINC000483519496 534104903 /nfs/dbraw/zinc/10/49/03/534104903.db2.gz NKIMPYKVHFDRNW-NSHDSACASA-N 1 0 239.309 3.725 20 0 BHADRO FC(F)C1CC[NH+](CCCC2CCCC2)CC1 ZINC000483529317 225243515 /nfs/dbraw/zinc/24/35/15/225243515.db2.gz OUBDDFTXGRWYGJ-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO CCC[N@H+](CC)Cc1cc(OC)ccc1Cl ZINC000483592459 528001173 /nfs/dbraw/zinc/00/11/73/528001173.db2.gz AMRPIXQWWXYWBG-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccc(C)o1)C1CC1 ZINC000483615849 529664852 /nfs/dbraw/zinc/66/48/52/529664852.db2.gz LIYOUPOUHDWUMV-ABAIWWIYSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccc(C)o1)C1CC1 ZINC000483615850 529204830 /nfs/dbraw/zinc/20/48/30/529204830.db2.gz LIYOUPOUHDWUMV-IAQYHMDHSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccc(C)o1)C1CC1 ZINC000483615851 529649556 /nfs/dbraw/zinc/64/95/56/529649556.db2.gz LIYOUPOUHDWUMV-NHYWBVRUSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccc(C)o1)C1CC1 ZINC000483615852 529199939 /nfs/dbraw/zinc/19/99/39/529199939.db2.gz LIYOUPOUHDWUMV-XHDPSFHLSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Sc1ccccc1)C1CC1 ZINC000483626427 529610080 /nfs/dbraw/zinc/61/00/80/529610080.db2.gz RIXHCDOHZNNDQY-DOMZBBRYSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Sc1ccccc1)C1CC1 ZINC000483626428 529172902 /nfs/dbraw/zinc/17/29/02/529172902.db2.gz RIXHCDOHZNNDQY-IUODEOHRSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)C1CC1 ZINC000483626429 529177900 /nfs/dbraw/zinc/17/79/00/529177900.db2.gz RIXHCDOHZNNDQY-SWLSCSKDSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Sc1ccccc1)C1CC1 ZINC000483626430 529618612 /nfs/dbraw/zinc/61/86/12/529618612.db2.gz RIXHCDOHZNNDQY-WFASDCNBSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1(C)CC1)Sc1ccccc1 ZINC000483628599 225245707 /nfs/dbraw/zinc/24/57/07/225245707.db2.gz QGSSIMGJYKYDHM-CHWSQXEVSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)Sc1ccccc1 ZINC000483628603 225244904 /nfs/dbraw/zinc/24/49/04/225244904.db2.gz QGSSIMGJYKYDHM-OLZOCXBDSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)C1(C)CC1 ZINC000483628606 533427955 /nfs/dbraw/zinc/42/79/55/533427955.db2.gz QGSSIMGJYKYDHM-QWHCGFSZSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)Sc1ccccc1 ZINC000483628610 225244749 /nfs/dbraw/zinc/24/47/49/225244749.db2.gz QGSSIMGJYKYDHM-STQMWFEESA-N 1 0 249.423 3.945 20 0 BHADRO CC(C)=CC[NH2+]CCCCCOc1ccccc1 ZINC000483629302 527443043 /nfs/dbraw/zinc/44/30/43/527443043.db2.gz ABKPIGOQIJMFLK-UHFFFAOYSA-N 1 0 247.382 3.792 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000483632494 534200242 /nfs/dbraw/zinc/20/02/42/534200242.db2.gz FFBWPXMYGKKRJL-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000483632495 225245786 /nfs/dbraw/zinc/24/57/86/225245786.db2.gz FFBWPXMYGKKRJL-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000483632496 534200045 /nfs/dbraw/zinc/20/00/45/534200045.db2.gz FFBWPXMYGKKRJL-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000483632497 225244989 /nfs/dbraw/zinc/24/49/89/225244989.db2.gz FFBWPXMYGKKRJL-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)=CCC[NH2+]CCCCOc1ccccc1 ZINC000483633096 527406003 /nfs/dbraw/zinc/40/60/03/527406003.db2.gz FLRHYURYEOVYSJ-UHFFFAOYSA-N 1 0 247.382 3.792 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(C)cc1)C1CC1 ZINC000483637738 529618660 /nfs/dbraw/zinc/61/86/60/529618660.db2.gz IMIXVZRGNWGUFV-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(C)cc1)C1CC1 ZINC000483637964 529610739 /nfs/dbraw/zinc/61/07/39/529610739.db2.gz IMIXVZRGNWGUFV-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(C)cc1)C1CC1 ZINC000483637965 529172815 /nfs/dbraw/zinc/17/28/15/529172815.db2.gz IMIXVZRGNWGUFV-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(C)cc1)C1CC1 ZINC000483637966 529178188 /nfs/dbraw/zinc/17/81/88/529178188.db2.gz IMIXVZRGNWGUFV-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000483643547 529242281 /nfs/dbraw/zinc/24/22/81/529242281.db2.gz CGVKSOPEFPNXBM-OBJOEFQTSA-N 1 0 237.387 3.933 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000483643548 529206892 /nfs/dbraw/zinc/20/68/92/529206892.db2.gz CGVKSOPEFPNXBM-OUCADQQQSA-N 1 0 237.387 3.933 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000483643549 529242438 /nfs/dbraw/zinc/24/24/38/529242438.db2.gz CGVKSOPEFPNXBM-SCRDCRAPSA-N 1 0 237.387 3.933 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000483643550 529206943 /nfs/dbraw/zinc/20/69/43/529206943.db2.gz CGVKSOPEFPNXBM-SGMGOOAPSA-N 1 0 237.387 3.933 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1C)C1CC1 ZINC000483651820 529178128 /nfs/dbraw/zinc/17/81/28/529178128.db2.gz KRPHWJGZXJVJNZ-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1C)C1CC1 ZINC000483651822 529610644 /nfs/dbraw/zinc/61/06/44/529610644.db2.gz KRPHWJGZXJVJNZ-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1C)C1CC1 ZINC000483651823 529173575 /nfs/dbraw/zinc/17/35/75/529173575.db2.gz KRPHWJGZXJVJNZ-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1C)C1CC1 ZINC000483651825 529618294 /nfs/dbraw/zinc/61/82/94/529618294.db2.gz KRPHWJGZXJVJNZ-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)=CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000483654962 527406402 /nfs/dbraw/zinc/40/64/02/527406402.db2.gz CNVUNLIHBGRQDJ-HNNXBMFYSA-N 1 0 231.383 3.811 20 0 BHADRO CC(C)=CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000483654964 527407408 /nfs/dbraw/zinc/40/74/08/527407408.db2.gz CNVUNLIHBGRQDJ-OAHLLOKOSA-N 1 0 231.383 3.811 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)C1(C)CC1 ZINC000483666592 225245753 /nfs/dbraw/zinc/24/57/53/225245753.db2.gz XUUSOCCOCKJCKA-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)C1(C)CC1 ZINC000483666593 225245561 /nfs/dbraw/zinc/24/55/61/225245561.db2.gz XUUSOCCOCKJCKA-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)C1(C)CC1 ZINC000483666594 225244650 /nfs/dbraw/zinc/24/46/50/225244650.db2.gz XUUSOCCOCKJCKA-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)C1(C)CC1 ZINC000483666595 225244792 /nfs/dbraw/zinc/24/47/92/225244792.db2.gz XUUSOCCOCKJCKA-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000483687378 529183321 /nfs/dbraw/zinc/18/33/21/529183321.db2.gz BBJOXPHPRFBZPH-BPUTZDHNSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000483687379 529183552 /nfs/dbraw/zinc/18/35/52/529183552.db2.gz BBJOXPHPRFBZPH-CWRNSKLLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000483687380 529182394 /nfs/dbraw/zinc/18/23/94/529182394.db2.gz BBJOXPHPRFBZPH-IMJJTQAJSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000483687381 529182490 /nfs/dbraw/zinc/18/24/90/529182490.db2.gz BBJOXPHPRFBZPH-NUEKZKHPSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000483717553 225245635 /nfs/dbraw/zinc/24/56/35/225245635.db2.gz XLGCEOGIUZELQP-KBPBESRZSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000483717554 225244669 /nfs/dbraw/zinc/24/46/69/225244669.db2.gz XLGCEOGIUZELQP-KGLIPLIRSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000483717555 225245035 /nfs/dbraw/zinc/24/50/35/225245035.db2.gz XLGCEOGIUZELQP-UONOGXRCSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000483717556 225244893 /nfs/dbraw/zinc/24/48/93/225244893.db2.gz XLGCEOGIUZELQP-ZIAGYGMSSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccco1 ZINC000483725470 225247051 /nfs/dbraw/zinc/24/70/51/225247051.db2.gz IPTMSAUNBUSAMK-IGQOVBAYSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccco1 ZINC000483725471 225246944 /nfs/dbraw/zinc/24/69/44/225246944.db2.gz IPTMSAUNBUSAMK-REWJHTLYSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccco1 ZINC000483725472 225247151 /nfs/dbraw/zinc/24/71/51/225247151.db2.gz IPTMSAUNBUSAMK-RFQIPJPRSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccco1 ZINC000483725473 225247037 /nfs/dbraw/zinc/24/70/37/225247037.db2.gz IPTMSAUNBUSAMK-XDQVBPFNSA-N 1 0 233.355 3.899 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(C)c1)C1CC1 ZINC000483732193 529618329 /nfs/dbraw/zinc/61/83/29/529618329.db2.gz TYUVHQGIWRSCSN-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(C)c1)C1CC1 ZINC000483732196 529610803 /nfs/dbraw/zinc/61/08/03/529610803.db2.gz TYUVHQGIWRSCSN-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(C)c1)C1CC1 ZINC000483732198 529173150 /nfs/dbraw/zinc/17/31/50/529173150.db2.gz TYUVHQGIWRSCSN-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(C)c1)C1CC1 ZINC000483732201 529177883 /nfs/dbraw/zinc/17/78/83/529177883.db2.gz TYUVHQGIWRSCSN-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000483742708 528069783 /nfs/dbraw/zinc/06/97/83/528069783.db2.gz KJFBIVBRYHXKQQ-BFHYXJOUSA-N 1 0 243.435 3.994 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000483742719 528076754 /nfs/dbraw/zinc/07/67/54/528076754.db2.gz KJFBIVBRYHXKQQ-IHRRRGAJSA-N 1 0 243.435 3.994 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000483742720 528069376 /nfs/dbraw/zinc/06/93/76/528069376.db2.gz KJFBIVBRYHXKQQ-MELADBBJSA-N 1 0 243.435 3.994 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000483742721 528077157 /nfs/dbraw/zinc/07/71/57/528077157.db2.gz KJFBIVBRYHXKQQ-MJBXVCDLSA-N 1 0 243.435 3.994 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)C1CCCCC1 ZINC000483758252 225246953 /nfs/dbraw/zinc/24/69/53/225246953.db2.gz TZOINPKXZBQCQJ-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@H](CC(C)C)[NH2+][C@H](C)C1CCCCC1 ZINC000483758253 225246306 /nfs/dbraw/zinc/24/63/06/225246306.db2.gz TZOINPKXZBQCQJ-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@@H](CC(C)C)[NH2+][C@H](C)C1CCCCC1 ZINC000483758254 225246692 /nfs/dbraw/zinc/24/66/92/225246692.db2.gz TZOINPKXZBQCQJ-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@H](CC(C)C)[NH2+][C@@H](C)C1CCCCC1 ZINC000483758783 225246246 /nfs/dbraw/zinc/24/62/46/225246246.db2.gz TZOINPKXZBQCQJ-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CSCCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000483830020 533572006 /nfs/dbraw/zinc/57/20/06/533572006.db2.gz NIZXANCWDQJTTL-HNNXBMFYSA-N 1 0 249.423 3.581 20 0 BHADRO CSCCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000483830022 533572742 /nfs/dbraw/zinc/57/27/42/533572742.db2.gz NIZXANCWDQJTTL-OAHLLOKOSA-N 1 0 249.423 3.581 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1)C(C)(C)C ZINC000483854028 225246881 /nfs/dbraw/zinc/24/68/81/225246881.db2.gz BDLSXTWBCZSPFH-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1)C(C)(C)C ZINC000483854029 225246933 /nfs/dbraw/zinc/24/69/33/225246933.db2.gz BDLSXTWBCZSPFH-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1)C(C)(C)C ZINC000483854030 225246286 /nfs/dbraw/zinc/24/62/86/225246286.db2.gz BDLSXTWBCZSPFH-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1)C(C)(C)C ZINC000483854031 225246857 /nfs/dbraw/zinc/24/68/57/225246857.db2.gz BDLSXTWBCZSPFH-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1cccc(C)c1C)C(C)C ZINC000483864657 225246802 /nfs/dbraw/zinc/24/68/02/225246802.db2.gz WSAGSUJXLXAEFK-GDBMZVCRSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(C)c1C)C(C)C ZINC000483864659 225246440 /nfs/dbraw/zinc/24/64/40/225246440.db2.gz WSAGSUJXLXAEFK-GOEBONIOSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C)c1C)C(C)C ZINC000483864660 225247134 /nfs/dbraw/zinc/24/71/34/225247134.db2.gz WSAGSUJXLXAEFK-HOCLYGCPSA-N 1 0 249.398 3.625 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1cccc(C)c1C)C(C)C ZINC000483864661 225246780 /nfs/dbraw/zinc/24/67/80/225246780.db2.gz WSAGSUJXLXAEFK-ZBFHGGJFSA-N 1 0 249.398 3.625 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CC)C[C@H](C)CO ZINC000483867773 528076988 /nfs/dbraw/zinc/07/69/88/528076988.db2.gz FDQBKFNFLYWGEP-AJNGGQMLSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CC)C[C@@H](C)CO ZINC000483867774 528077009 /nfs/dbraw/zinc/07/70/09/528077009.db2.gz FDQBKFNFLYWGEP-BARDWOONSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CC)C[C@@H](C)CO ZINC000483867776 528077412 /nfs/dbraw/zinc/07/74/12/528077412.db2.gz FDQBKFNFLYWGEP-QPSCCSFWSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CC)C[C@H](C)CO ZINC000483867777 528077420 /nfs/dbraw/zinc/07/74/20/528077420.db2.gz FDQBKFNFLYWGEP-XQLPTFJDSA-N 1 0 243.435 3.588 20 0 BHADRO CCCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000483919387 528186116 /nfs/dbraw/zinc/18/61/16/528186116.db2.gz HNQQDBGIKWVOKA-UHFFFAOYSA-N 1 0 239.309 3.513 20 0 BHADRO CCCCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000483935258 528186435 /nfs/dbraw/zinc/18/64/35/528186435.db2.gz RZEXDVJHAHXGFL-CHWSQXEVSA-N 1 0 227.417 3.537 20 0 BHADRO CCCCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000483935259 528185920 /nfs/dbraw/zinc/18/59/20/528185920.db2.gz RZEXDVJHAHXGFL-OLZOCXBDSA-N 1 0 227.417 3.537 20 0 BHADRO CCCCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000483935260 528185539 /nfs/dbraw/zinc/18/55/39/528185539.db2.gz RZEXDVJHAHXGFL-QWHCGFSZSA-N 1 0 227.417 3.537 20 0 BHADRO CCCCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000483935261 528186657 /nfs/dbraw/zinc/18/66/57/528186657.db2.gz RZEXDVJHAHXGFL-STQMWFEESA-N 1 0 227.417 3.537 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000483962099 528275279 /nfs/dbraw/zinc/27/52/79/528275279.db2.gz OCDNZFKPBPAFOE-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000483962101 528262686 /nfs/dbraw/zinc/26/26/86/528262686.db2.gz OCDNZFKPBPAFOE-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000483965013 528167103 /nfs/dbraw/zinc/16/71/03/528167103.db2.gz PBDCDWRVNOOUHE-CYBMUJFWSA-N 1 0 235.371 3.965 20 0 BHADRO CCCCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000483965014 528167180 /nfs/dbraw/zinc/16/71/80/528167180.db2.gz PBDCDWRVNOOUHE-ZDUSSCGKSA-N 1 0 235.371 3.965 20 0 BHADRO CCCCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000483989117 528186518 /nfs/dbraw/zinc/18/65/18/528186518.db2.gz WJMQHSYIBXWUJZ-UHFFFAOYSA-N 1 0 239.309 3.513 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000484006319 528667914 /nfs/dbraw/zinc/66/79/14/528667914.db2.gz CIQSYOOBVZDFPI-GFCCVEGCSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000484006376 527778173 /nfs/dbraw/zinc/77/81/73/527778173.db2.gz CIQSYOOBVZDFPI-LBPRGKRZSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)CCC[N@H+](C)Cc1cccs1 ZINC000484012673 527703155 /nfs/dbraw/zinc/70/31/55/527703155.db2.gz DEBXDEYKNPXOMC-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CC1(C)CCCC[N@H+](Cc2cccs2)C1 ZINC000484018170 528913303 /nfs/dbraw/zinc/91/33/03/528913303.db2.gz XJLCEJHFKRMOSJ-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO c1csc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000484020860 534520767 /nfs/dbraw/zinc/52/07/67/534520767.db2.gz NDWLAPHGCHNPLW-UHFFFAOYSA-N 1 0 235.396 3.904 20 0 BHADRO CCCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000484066334 528182745 /nfs/dbraw/zinc/18/27/45/528182745.db2.gz GSSMCNLOQIJRJX-GFCCVEGCSA-N 1 0 221.344 3.995 20 0 BHADRO CCCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000484066335 528183096 /nfs/dbraw/zinc/18/30/96/528183096.db2.gz GSSMCNLOQIJRJX-LBPRGKRZSA-N 1 0 221.344 3.995 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000484067705 529691091 /nfs/dbraw/zinc/69/10/91/529691091.db2.gz CMUUTCJDWBYGRN-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000484067706 529344865 /nfs/dbraw/zinc/34/48/65/529344865.db2.gz CMUUTCJDWBYGRN-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000484124245 528397834 /nfs/dbraw/zinc/39/78/34/528397834.db2.gz AXIPLUNQCFOLSM-DZGCQCFKSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000484124246 528950654 /nfs/dbraw/zinc/95/06/54/528950654.db2.gz AXIPLUNQCFOLSM-HIFRSBDPSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000484124247 528950992 /nfs/dbraw/zinc/95/09/92/528950992.db2.gz AXIPLUNQCFOLSM-UKRRQHHQSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000484124248 528397235 /nfs/dbraw/zinc/39/72/35/528397235.db2.gz AXIPLUNQCFOLSM-ZFWWWQNUSA-N 1 0 247.382 3.782 20 0 BHADRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C(C)(C)C ZINC000484126100 533365241 /nfs/dbraw/zinc/36/52/41/533365241.db2.gz DWXYUEHSOFZWQH-GFCCVEGCSA-N 1 0 249.373 3.882 20 0 BHADRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C(C)(C)C ZINC000484126101 225247656 /nfs/dbraw/zinc/24/76/56/225247656.db2.gz DWXYUEHSOFZWQH-LBPRGKRZSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000484128306 528950870 /nfs/dbraw/zinc/95/08/70/528950870.db2.gz JZBDFRRCIPGTLL-CHWSQXEVSA-N 1 0 247.382 3.660 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000484128307 528950404 /nfs/dbraw/zinc/95/04/04/528950404.db2.gz JZBDFRRCIPGTLL-OLZOCXBDSA-N 1 0 247.382 3.660 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000484128308 528398059 /nfs/dbraw/zinc/39/80/59/528398059.db2.gz JZBDFRRCIPGTLL-QWHCGFSZSA-N 1 0 247.382 3.660 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000484128309 528398096 /nfs/dbraw/zinc/39/80/96/528398096.db2.gz JZBDFRRCIPGTLL-STQMWFEESA-N 1 0 247.382 3.660 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000484137104 225248360 /nfs/dbraw/zinc/24/83/60/225248360.db2.gz DXHXRJXHDACUBW-KBPBESRZSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000484137107 225248950 /nfs/dbraw/zinc/24/89/50/225248950.db2.gz DXHXRJXHDACUBW-KGLIPLIRSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000484137110 225247653 /nfs/dbraw/zinc/24/76/53/225247653.db2.gz DXHXRJXHDACUBW-UONOGXRCSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000484137112 225247735 /nfs/dbraw/zinc/24/77/35/225247735.db2.gz DXHXRJXHDACUBW-ZIAGYGMSSA-N 1 0 231.383 3.877 20 0 BHADRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)C(C)C ZINC000484139181 225247829 /nfs/dbraw/zinc/24/78/29/225247829.db2.gz XSLGHCNYJXRJDC-DOMZBBRYSA-N 1 0 247.382 3.564 20 0 BHADRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)C(C)C ZINC000484139182 533874464 /nfs/dbraw/zinc/87/44/64/533874464.db2.gz XSLGHCNYJXRJDC-IUODEOHRSA-N 1 0 247.382 3.564 20 0 BHADRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)C(C)C ZINC000484139184 533874818 /nfs/dbraw/zinc/87/48/18/533874818.db2.gz XSLGHCNYJXRJDC-SWLSCSKDSA-N 1 0 247.382 3.564 20 0 BHADRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)C(C)C ZINC000484139186 225248830 /nfs/dbraw/zinc/24/88/30/225248830.db2.gz XSLGHCNYJXRJDC-WFASDCNBSA-N 1 0 247.382 3.564 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1cccc(C)c1)C1CC1 ZINC000484143092 529618359 /nfs/dbraw/zinc/61/83/59/529618359.db2.gz IWZLGZONIDXXDI-BBRMVZONSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C1CC1 ZINC000484143096 529610753 /nfs/dbraw/zinc/61/07/53/529610753.db2.gz IWZLGZONIDXXDI-CJNGLKHVSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C1CC1 ZINC000484143097 529173629 /nfs/dbraw/zinc/17/36/29/529173629.db2.gz IWZLGZONIDXXDI-CZUORRHYSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1cccc(C)c1)C1CC1 ZINC000484143101 529178284 /nfs/dbraw/zinc/17/82/84/529178284.db2.gz IWZLGZONIDXXDI-XJKSGUPXSA-N 1 0 231.383 3.877 20 0 BHADRO COc1cc(CC[NH2+][C@H](C)C(C)(C)C)ccc1C ZINC000484154690 533769700 /nfs/dbraw/zinc/76/97/00/533769700.db2.gz CYKOLSCMANRAJX-CYBMUJFWSA-N 1 0 249.398 3.570 20 0 BHADRO COc1cc(CC[NH2+][C@@H](C)C(C)(C)C)ccc1C ZINC000484154691 533766785 /nfs/dbraw/zinc/76/67/85/533766785.db2.gz CYKOLSCMANRAJX-ZDUSSCGKSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@H]([NH2+]CCc1cc(C)cc(C)c1)C1CC1 ZINC000484167521 529606304 /nfs/dbraw/zinc/60/63/04/529606304.db2.gz IUAHDGYUUKRXKA-INIZCTEOSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)C1CC1 ZINC000484167524 529168990 /nfs/dbraw/zinc/16/89/90/529168990.db2.gz IUAHDGYUUKRXKA-MRXNPFEDSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000484169924 225247483 /nfs/dbraw/zinc/24/74/83/225247483.db2.gz LILFFPKPNGNCQH-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H](C)C2(C)CC2)c1 ZINC000484169926 225247573 /nfs/dbraw/zinc/24/75/73/225247573.db2.gz LILFFPKPNGNCQH-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccco2)c1 ZINC000484178164 225249580 /nfs/dbraw/zinc/24/95/80/225249580.db2.gz QHDZSQCWPFTTGP-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccco2)c1 ZINC000484178165 225249842 /nfs/dbraw/zinc/24/98/42/225249842.db2.gz QHDZSQCWPFTTGP-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000484283855 225249249 /nfs/dbraw/zinc/24/92/49/225249249.db2.gz RHMMWVMSBDZFRF-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000484283861 225250034 /nfs/dbraw/zinc/25/00/34/225250034.db2.gz RHMMWVMSBDZFRF-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000484283862 225250027 /nfs/dbraw/zinc/25/00/27/225250027.db2.gz RHMMWVMSBDZFRF-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000484283864 225249353 /nfs/dbraw/zinc/24/93/53/225249353.db2.gz RHMMWVMSBDZFRF-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000484292532 225250039 /nfs/dbraw/zinc/25/00/39/225250039.db2.gz PEMBUKPOFWQARJ-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000484292533 225249768 /nfs/dbraw/zinc/24/97/68/225249768.db2.gz PEMBUKPOFWQARJ-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000484292534 225249917 /nfs/dbraw/zinc/24/99/17/225249917.db2.gz PEMBUKPOFWQARJ-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000484292535 534756766 /nfs/dbraw/zinc/75/67/66/534756766.db2.gz PEMBUKPOFWQARJ-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000484294765 225250148 /nfs/dbraw/zinc/25/01/48/225250148.db2.gz UFAWOLOSGBCVNY-KBPBESRZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000484294766 225249333 /nfs/dbraw/zinc/24/93/33/225249333.db2.gz UFAWOLOSGBCVNY-KGLIPLIRSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000484294767 225250445 /nfs/dbraw/zinc/25/04/45/225250445.db2.gz UFAWOLOSGBCVNY-UONOGXRCSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000484294768 225249790 /nfs/dbraw/zinc/24/97/90/225249790.db2.gz UFAWOLOSGBCVNY-ZIAGYGMSSA-N 1 0 243.350 3.870 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)C1CCCCC1 ZINC000484297742 225249949 /nfs/dbraw/zinc/24/99/49/225249949.db2.gz JDJXUQCBPZJGCH-CHWSQXEVSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000484297744 225249801 /nfs/dbraw/zinc/24/98/01/225249801.db2.gz JDJXUQCBPZJGCH-OLZOCXBDSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCCCC1 ZINC000484297746 533499893 /nfs/dbraw/zinc/49/98/93/533499893.db2.gz JDJXUQCBPZJGCH-QWHCGFSZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000484297748 534259891 /nfs/dbraw/zinc/25/98/91/534259891.db2.gz JDJXUQCBPZJGCH-STQMWFEESA-N 1 0 235.371 3.769 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484346237 528486605 /nfs/dbraw/zinc/48/66/05/528486605.db2.gz YQIKAABOYLAXTG-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484346239 528486908 /nfs/dbraw/zinc/48/69/08/528486908.db2.gz YQIKAABOYLAXTG-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO CC1(C)C[N@H+](CCC2CC2)CC[C@H]1C(F)(F)F ZINC000484346628 529116076 /nfs/dbraw/zinc/11/60/76/529116076.db2.gz YTKNPQCIMKHWNW-LLVKDONJSA-N 1 0 249.320 3.697 20 0 BHADRO CC1(C)C[N@H+](CCC2CC2)CC[C@@H]1C(F)(F)F ZINC000484346630 529116093 /nfs/dbraw/zinc/11/60/93/529116093.db2.gz YTKNPQCIMKHWNW-NSHDSACASA-N 1 0 249.320 3.697 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000484377317 533991999 /nfs/dbraw/zinc/99/19/99/533991999.db2.gz KSTNSQWJDHDSKS-AEGPPILISA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000484377319 534004385 /nfs/dbraw/zinc/00/43/85/534004385.db2.gz KSTNSQWJDHDSKS-BPLDGKMQSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000484377320 534005117 /nfs/dbraw/zinc/00/51/17/534005117.db2.gz KSTNSQWJDHDSKS-NWANDNLSSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000484377321 533994075 /nfs/dbraw/zinc/99/40/75/533994075.db2.gz KSTNSQWJDHDSKS-VHDGCEQUSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000484410401 533992069 /nfs/dbraw/zinc/99/20/69/533992069.db2.gz UAIBMIHEFPTDFO-AEGPPILISA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000484410403 534005241 /nfs/dbraw/zinc/00/52/41/534005241.db2.gz UAIBMIHEFPTDFO-BPLDGKMQSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000484410404 534004686 /nfs/dbraw/zinc/00/46/86/534004686.db2.gz UAIBMIHEFPTDFO-NWANDNLSSA-N 1 0 249.423 3.848 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000484410406 533994503 /nfs/dbraw/zinc/99/45/03/533994503.db2.gz UAIBMIHEFPTDFO-VHDGCEQUSA-N 1 0 249.423 3.848 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000484479972 528076690 /nfs/dbraw/zinc/07/66/90/528076690.db2.gz ZZDJTTSCEKJFKT-DZKIICNBSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000484479974 528077210 /nfs/dbraw/zinc/07/72/10/528077210.db2.gz ZZDJTTSCEKJFKT-LZWOXQAQSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000484479975 528069553 /nfs/dbraw/zinc/06/95/53/528069553.db2.gz ZZDJTTSCEKJFKT-OFQRWUPVSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000484479977 528069122 /nfs/dbraw/zinc/06/91/22/528069122.db2.gz ZZDJTTSCEKJFKT-SQWLQELKSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000484480532 528899311 /nfs/dbraw/zinc/89/93/11/528899311.db2.gz PKDTXYPVBCJCQZ-DOMZBBRYSA-N 1 0 249.423 3.795 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000484480533 528899481 /nfs/dbraw/zinc/89/94/81/528899481.db2.gz PKDTXYPVBCJCQZ-IUODEOHRSA-N 1 0 249.423 3.795 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000484480534 528065826 /nfs/dbraw/zinc/06/58/26/528065826.db2.gz PKDTXYPVBCJCQZ-SWLSCSKDSA-N 1 0 249.423 3.795 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000484480535 528064625 /nfs/dbraw/zinc/06/46/25/528064625.db2.gz PKDTXYPVBCJCQZ-WFASDCNBSA-N 1 0 249.423 3.795 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C1CC1 ZINC000484481355 529665906 /nfs/dbraw/zinc/66/59/06/529665906.db2.gz DQJSATOJZJEOMR-IOASZLSFSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C1CC1 ZINC000484481356 529651158 /nfs/dbraw/zinc/65/11/58/529651158.db2.gz DQJSATOJZJEOMR-WWGRRREGSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C1CC1 ZINC000484481357 529650838 /nfs/dbraw/zinc/65/08/38/529650838.db2.gz DQJSATOJZJEOMR-XEZPLFJOSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C1CC1 ZINC000484481358 529666551 /nfs/dbraw/zinc/66/65/51/529666551.db2.gz DQJSATOJZJEOMR-ZENOOKHLSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+]CCc1cc(F)ccc1F)C(C)(C)C ZINC000484493512 533869890 /nfs/dbraw/zinc/86/98/90/533869890.db2.gz UHMLVYXTKXDPSI-JTQLQIEISA-N 1 0 241.325 3.532 20 0 BHADRO C[C@@H]([NH2+]CCc1cc(F)ccc1F)C(C)(C)C ZINC000484493513 225250433 /nfs/dbraw/zinc/25/04/33/225250433.db2.gz UHMLVYXTKXDPSI-SNVBAGLBSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1OC ZINC000484493852 529234741 /nfs/dbraw/zinc/23/47/41/529234741.db2.gz CRTKNCJKEHRZMW-DZGCQCFKSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1OC ZINC000484493855 529311939 /nfs/dbraw/zinc/31/19/39/529311939.db2.gz CRTKNCJKEHRZMW-HIFRSBDPSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1OC ZINC000484493858 529322036 /nfs/dbraw/zinc/32/20/36/529322036.db2.gz CRTKNCJKEHRZMW-UKRRQHHQSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1OC ZINC000484493861 529229236 /nfs/dbraw/zinc/22/92/36/529229236.db2.gz CRTKNCJKEHRZMW-ZFWWWQNUSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)c1ccc(SC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000484500293 528127107 /nfs/dbraw/zinc/12/71/07/528127107.db2.gz KKYYYRXYVNRPCG-CYBMUJFWSA-N 1 0 249.423 3.854 20 0 BHADRO CC(C)c1ccc(SC[C@H]2CC[N@H+](C)C2)cc1 ZINC000484500296 528127899 /nfs/dbraw/zinc/12/78/99/528127899.db2.gz KKYYYRXYVNRPCG-ZDUSSCGKSA-N 1 0 249.423 3.854 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000484501378 528901826 /nfs/dbraw/zinc/90/18/26/528901826.db2.gz MAZMJZAGZXWHFQ-BMFZPTHFSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000484501380 528076907 /nfs/dbraw/zinc/07/69/07/528076907.db2.gz MAZMJZAGZXWHFQ-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000484501381 528069648 /nfs/dbraw/zinc/06/96/48/528069648.db2.gz MAZMJZAGZXWHFQ-IMJJTQAJSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](CO)c1ccccc1 ZINC000484501382 528905062 /nfs/dbraw/zinc/90/50/62/528905062.db2.gz MAZMJZAGZXWHFQ-KBMXLJTQSA-N 1 0 249.398 3.524 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)cc1SC)C1CC1 ZINC000484503812 529626816 /nfs/dbraw/zinc/62/68/16/529626816.db2.gz NCESFACFMRPNPG-AWEZNQCLSA-N 1 0 249.423 3.995 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1SC)C1CC1 ZINC000484503814 529182957 /nfs/dbraw/zinc/18/29/57/529182957.db2.gz NCESFACFMRPNPG-CQSZACIVSA-N 1 0 249.423 3.995 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C)C(C)(C)C ZINC000484523634 225249283 /nfs/dbraw/zinc/24/92/83/225249283.db2.gz VVTITTWWBHANJM-GFCCVEGCSA-N 1 0 235.371 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000484523635 533670681 /nfs/dbraw/zinc/67/06/81/533670681.db2.gz VVTITTWWBHANJM-LBPRGKRZSA-N 1 0 235.371 3.528 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCS2)c1C ZINC000484601617 225250730 /nfs/dbraw/zinc/25/07/30/225250730.db2.gz FETUOXJIUJVPBW-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1C ZINC000484601618 225251921 /nfs/dbraw/zinc/25/19/21/225251921.db2.gz FETUOXJIUJVPBW-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCS2)c1C ZINC000484601619 225250755 /nfs/dbraw/zinc/25/07/55/225250755.db2.gz FETUOXJIUJVPBW-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCS2)c1C ZINC000484601620 225251905 /nfs/dbraw/zinc/25/19/05/225251905.db2.gz FETUOXJIUJVPBW-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)C1CCCCC1 ZINC000484611382 529180392 /nfs/dbraw/zinc/18/03/92/529180392.db2.gz BAYTVJQEQYOXDI-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)C1CCCCC1 ZINC000484611383 529622431 /nfs/dbraw/zinc/62/24/31/529622431.db2.gz BAYTVJQEQYOXDI-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)C1CCCCC1 ZINC000484611384 529177378 /nfs/dbraw/zinc/17/73/78/529177378.db2.gz BAYTVJQEQYOXDI-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CCCCC1 ZINC000484611385 529616691 /nfs/dbraw/zinc/61/66/91/529616691.db2.gz BAYTVJQEQYOXDI-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](CC)C1CC1 ZINC000484626571 528244779 /nfs/dbraw/zinc/24/47/79/528244779.db2.gz YJTLNKJFQASHNA-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](CC)C1CC1 ZINC000484626572 528246186 /nfs/dbraw/zinc/24/61/86/528246186.db2.gz YJTLNKJFQASHNA-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000484829882 528901429 /nfs/dbraw/zinc/90/14/29/528901429.db2.gz PQJFUKBISIEFMF-BXUZGUMPSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000484829883 528076123 /nfs/dbraw/zinc/07/61/23/528076123.db2.gz PQJFUKBISIEFMF-FZMZJTMJSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000484829884 528905242 /nfs/dbraw/zinc/90/52/42/528905242.db2.gz PQJFUKBISIEFMF-RISCZKNCSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC000484829885 528070037 /nfs/dbraw/zinc/07/00/37/528070037.db2.gz PQJFUKBISIEFMF-SMDDNHRTSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC1CCC([N@H+](C)CCCF)CC1 ZINC000484874494 528070117 /nfs/dbraw/zinc/07/01/17/528070117.db2.gz OOROFPPBYHBDNB-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCCCCC1 ZINC000484984559 225252541 /nfs/dbraw/zinc/25/25/41/225252541.db2.gz FZNSVPSBVWUUJB-AWEZNQCLSA-N 1 0 217.356 3.932 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCCCCC1 ZINC000484984560 225252444 /nfs/dbraw/zinc/25/24/44/225252444.db2.gz FZNSVPSBVWUUJB-CQSZACIVSA-N 1 0 217.356 3.932 20 0 BHADRO CC[N@@H+](Cc1c(C)cc(C)cc1C)CC1CC1 ZINC000484992595 528755459 /nfs/dbraw/zinc/75/54/59/528755459.db2.gz FNBCRGMQLHNINA-UHFFFAOYSA-N 1 0 231.383 3.844 20 0 BHADRO FCCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000485040010 534430078 /nfs/dbraw/zinc/43/00/78/534430078.db2.gz KCWQWXZGTVYVCP-INIZCTEOSA-N 1 0 247.357 3.888 20 0 BHADRO FCCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000485040026 534430127 /nfs/dbraw/zinc/43/01/27/534430127.db2.gz KCWQWXZGTVYVCP-MRXNPFEDSA-N 1 0 247.357 3.888 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000485072922 528504854 /nfs/dbraw/zinc/50/48/54/528504854.db2.gz GGQPEOLIHLTFEW-UHFFFAOYSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CC[C@H]1CCCC[N@@H+]1CCCF ZINC000485218834 527853464 /nfs/dbraw/zinc/85/34/64/527853464.db2.gz MZKHDALIJRPZQG-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCCF ZINC000485218835 527815040 /nfs/dbraw/zinc/81/50/40/527815040.db2.gz MZKHDALIJRPZQG-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO Cc1cc(F)ccc1C[NH+]1CC2(C1)CCCC2 ZINC000485295629 533878352 /nfs/dbraw/zinc/87/83/52/533878352.db2.gz RHPUTOMJDDDXEG-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1cc(C[NH+]2CC3(C2)CCCC3)ccc1F ZINC000485297464 533591540 /nfs/dbraw/zinc/59/15/40/533591540.db2.gz YHWQJXNLKFSHBE-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1ccc(C[NH+]2CC3(C2)CCCC3)c(C)c1 ZINC000485298594 533915043 /nfs/dbraw/zinc/91/50/43/533915043.db2.gz DHABKMAKJZDGEC-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Cc1cccc(C[NH+]2CC3(C2)CCCC3)c1C ZINC000485301601 225252729 /nfs/dbraw/zinc/25/27/29/225252729.db2.gz KKCFVBHZMJBFRB-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2CC3(C2)CCCC3)cc1 ZINC000485302098 225252986 /nfs/dbraw/zinc/25/29/86/225252986.db2.gz LJBNYPSXBVDPNR-ARJAWSKDSA-N 1 0 245.341 3.715 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2CC3(C2)CCCC3)cc1 ZINC000485302104 534461059 /nfs/dbraw/zinc/46/10/59/534461059.db2.gz LJBNYPSXBVDPNR-ONEGZZNKSA-N 1 0 245.341 3.715 20 0 BHADRO CSc1ccc(C[NH+]2CC3(C2)CCCC3)cc1 ZINC000485302896 534204301 /nfs/dbraw/zinc/20/43/01/534204301.db2.gz MPUPTHWJSWQZAK-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO c1c2ccccc2oc1C[NH+]1CC2(C1)CCCC2 ZINC000485303998 225252933 /nfs/dbraw/zinc/25/29/33/225252933.db2.gz OYVFOZCZWKLTJH-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CC3(C2)CCCC3)o1 ZINC000485305103 225253083 /nfs/dbraw/zinc/25/30/83/225253083.db2.gz QKIUABLUEOHRMV-GXTWGEPZSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC3(C2)CCCC3)o1 ZINC000485305104 225252923 /nfs/dbraw/zinc/25/29/23/225252923.db2.gz QKIUABLUEOHRMV-JSGCOSHPSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC3(C2)CCCC3)o1 ZINC000485305105 533745146 /nfs/dbraw/zinc/74/51/46/533745146.db2.gz QKIUABLUEOHRMV-OCCSQVGLSA-N 1 0 245.366 3.779 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC3(C2)CCCC3)o1 ZINC000485305106 534050385 /nfs/dbraw/zinc/05/03/85/534050385.db2.gz QKIUABLUEOHRMV-TZMCWYRMSA-N 1 0 245.366 3.779 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CC2(C1)CCCC2 ZINC000485318090 527506266 /nfs/dbraw/zinc/50/62/66/527506266.db2.gz DNLMEOPPCGPCSL-PTNGSMBKSA-N 1 0 241.378 3.966 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CC2(C1)CCCC2 ZINC000485318091 527532778 /nfs/dbraw/zinc/53/27/78/527532778.db2.gz DNLMEOPPCGPCSL-RVDMUPIBSA-N 1 0 241.378 3.966 20 0 BHADRO Cc1ccc(C[NH+]2CC3(C2)CCCC3)cc1C ZINC000485324072 533914366 /nfs/dbraw/zinc/91/43/66/533914366.db2.gz RBSZVYURWSXICN-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CC(C)CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000485421870 527719984 /nfs/dbraw/zinc/71/99/84/527719984.db2.gz PVOMSSIZYFLLLZ-GFCCVEGCSA-N 1 0 221.344 3.851 20 0 BHADRO CC(C)CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000485421871 527719940 /nfs/dbraw/zinc/71/99/40/527719940.db2.gz PVOMSSIZYFLLLZ-LBPRGKRZSA-N 1 0 221.344 3.851 20 0 BHADRO FCCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000485425072 534432368 /nfs/dbraw/zinc/43/23/68/534432368.db2.gz YZHVQNZKXFIKKP-UHFFFAOYSA-N 1 0 235.346 3.795 20 0 BHADRO CC1=C[C@@H](C)CN(c2cc[nH+]c3ccccc32)C1 ZINC000485438232 528132541 /nfs/dbraw/zinc/13/25/41/528132541.db2.gz JSHFAKFVIIJXJN-GFCCVEGCSA-N 1 0 238.334 3.637 20 0 BHADRO CC1=C[C@H](C)CN(c2cc[nH+]c3ccccc32)C1 ZINC000485438233 528143311 /nfs/dbraw/zinc/14/33/11/528143311.db2.gz JSHFAKFVIIJXJN-LBPRGKRZSA-N 1 0 238.334 3.637 20 0 BHADRO CC[N@H+](CCCc1cccc(F)c1)C1CCC1 ZINC000485455049 528472918 /nfs/dbraw/zinc/47/29/18/528472918.db2.gz BUVRILGEHMHPBK-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO C[C@H](CSC(C)(C)c1ccccc1)[NH+](C)C ZINC000485481397 534137385 /nfs/dbraw/zinc/13/73/85/534137385.db2.gz PJXYFQYBGKLHJO-GFCCVEGCSA-N 1 0 237.412 3.605 20 0 BHADRO C[C@@H](CSC(C)(C)c1ccccc1)[NH+](C)C ZINC000485481402 534190140 /nfs/dbraw/zinc/19/01/40/534190140.db2.gz PJXYFQYBGKLHJO-LBPRGKRZSA-N 1 0 237.412 3.605 20 0 BHADRO C[N@@H+]1CC[C@@H](CSC(C)(C)c2ccccc2)C1 ZINC000485492541 529794447 /nfs/dbraw/zinc/79/44/47/529794447.db2.gz PLYPFOHODFPTSO-CYBMUJFWSA-N 1 0 249.423 3.607 20 0 BHADRO C[N@@H+]1CC[C@H](CSC(C)(C)c2ccccc2)C1 ZINC000485492542 529805025 /nfs/dbraw/zinc/80/50/25/529805025.db2.gz PLYPFOHODFPTSO-ZDUSSCGKSA-N 1 0 249.423 3.607 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC1CCC1 ZINC000485673079 225256514 /nfs/dbraw/zinc/25/65/14/225256514.db2.gz QUXWFZGXFIDIAP-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CC1CCC1 ZINC000485673083 225256601 /nfs/dbraw/zinc/25/66/01/225256601.db2.gz QUXWFZGXFIDIAP-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc2ncsc2c1 ZINC000485684375 533806383 /nfs/dbraw/zinc/80/63/83/533806383.db2.gz CHBDZJYINKIPHL-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc2ncsc2c1 ZINC000485684376 225257594 /nfs/dbraw/zinc/25/75/94/225257594.db2.gz CHBDZJYINKIPHL-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO CCC1(CC)CC[NH+](Cc2ncccc2C)CC1 ZINC000485687152 529056499 /nfs/dbraw/zinc/05/64/99/529056499.db2.gz LXEBVLDBFIONJL-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC(C)C[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485695902 527914340 /nfs/dbraw/zinc/91/43/40/527914340.db2.gz QCWCZBGIWMRJSV-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO C[N@H+](Cc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000485700617 529979208 /nfs/dbraw/zinc/97/92/08/529979208.db2.gz YTUKYHGICKVKQL-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC[N@H+](Cc1cc(F)cc(Cl)c1)C(C)C ZINC000485701150 528766335 /nfs/dbraw/zinc/76/63/35/528766335.db2.gz ZTEIVNMWAULNMV-UHFFFAOYSA-N 1 0 229.726 3.709 20 0 BHADRO CC(C)[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702098 528935703 /nfs/dbraw/zinc/93/57/03/528935703.db2.gz NKIUZCFLYHOPKB-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485702494 529345157 /nfs/dbraw/zinc/34/51/57/529345157.db2.gz BXBCOIQLIPEHBW-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485702495 529691372 /nfs/dbraw/zinc/69/13/72/529691372.db2.gz BXBCOIQLIPEHBW-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CCC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702726 528131536 /nfs/dbraw/zinc/13/15/36/528131536.db2.gz QTOLRWKNFCLBJN-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000485709529 527804493 /nfs/dbraw/zinc/80/44/93/527804493.db2.gz KSKINCXZEMPKTJ-CYBMUJFWSA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000485709531 528704130 /nfs/dbraw/zinc/70/41/30/528704130.db2.gz KSKINCXZEMPKTJ-ZDUSSCGKSA-N 1 0 241.737 3.709 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc(F)cc(Cl)c1 ZINC000485711735 529876583 /nfs/dbraw/zinc/87/65/83/529876583.db2.gz KMQWFPAERNGMFJ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[N@@H+](Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC000485711790 528766314 /nfs/dbraw/zinc/76/63/14/528766314.db2.gz LDRCKLHCGOENFG-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc2ncsc2c1 ZINC000485711846 533329458 /nfs/dbraw/zinc/32/94/58/533329458.db2.gz QUCJDRBUTJKKGU-SQLBVSGCSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1ccc2ncsc2c1 ZINC000485711847 533793513 /nfs/dbraw/zinc/79/35/13/533793513.db2.gz QUCJDRBUTJKKGU-YZRBJQDESA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485712232 225256970 /nfs/dbraw/zinc/25/69/70/225256970.db2.gz LUPPXXXUVDYHIH-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485712233 225257445 /nfs/dbraw/zinc/25/74/45/225257445.db2.gz LUPPXXXUVDYHIH-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CCC[N@H+](CC)Cc1cc(F)cc(Cl)c1 ZINC000485714170 528000291 /nfs/dbraw/zinc/00/02/91/528000291.db2.gz BVHXRNURGSWPSH-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO C[N@@H+](Cc1cc(F)cc(Cl)c1)CC1CCC1 ZINC000485718029 529979256 /nfs/dbraw/zinc/97/92/56/529979256.db2.gz PTRFITDJQAGHIF-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCc1cccc(F)c1 ZINC000485718146 528407303 /nfs/dbraw/zinc/40/73/03/528407303.db2.gz QNXCVOAIGVYWKV-CYBMUJFWSA-N 1 0 237.362 3.735 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCc1cccc(F)c1 ZINC000485718151 528958042 /nfs/dbraw/zinc/95/80/42/528958042.db2.gz QNXCVOAIGVYWKV-ZDUSSCGKSA-N 1 0 237.362 3.735 20 0 BHADRO CC(C)[N@H+](CCCc1cccc(F)c1)C1CC1 ZINC000485719335 528887494 /nfs/dbraw/zinc/88/74/94/528887494.db2.gz VHTGEFFLEUWBQL-UHFFFAOYSA-N 1 0 235.346 3.631 20 0 BHADRO CCCC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485720802 528358996 /nfs/dbraw/zinc/35/89/96/528358996.db2.gz RUEUZJWPJHNURF-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC[N@H+](Cc1cc(F)cc(Cl)c1)C1CCC1 ZINC000485728098 528767009 /nfs/dbraw/zinc/76/70/09/528767009.db2.gz AAQXNFKMKHRXQH-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO C[N@H+](CCCc1cccc(F)c1)C1CCCC1 ZINC000485746896 529896510 /nfs/dbraw/zinc/89/65/10/529896510.db2.gz UGYXLWWKMCPVFJ-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC000485776102 225258892 /nfs/dbraw/zinc/25/88/92/225258892.db2.gz WHWSRLVOGKQMQG-CYBMUJFWSA-N 1 0 235.346 3.633 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC000485776103 225258396 /nfs/dbraw/zinc/25/83/96/225258396.db2.gz WHWSRLVOGKQMQG-ZDUSSCGKSA-N 1 0 235.346 3.633 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485795940 527743201 /nfs/dbraw/zinc/74/32/01/527743201.db2.gz HSPNLMDOXCJVPO-LLVKDONJSA-N 1 0 248.395 3.993 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485795941 527742548 /nfs/dbraw/zinc/74/25/48/527742548.db2.gz HSPNLMDOXCJVPO-NSHDSACASA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485804987 529327992 /nfs/dbraw/zinc/32/79/92/529327992.db2.gz SBYGUPVBYNGOES-GHMZBOCLSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485804988 529327723 /nfs/dbraw/zinc/32/77/23/529327723.db2.gz SBYGUPVBYNGOES-MNOVXSKESA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485804989 529668782 /nfs/dbraw/zinc/66/87/82/529668782.db2.gz SBYGUPVBYNGOES-QWRGUYRKSA-N 1 0 248.395 3.993 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485804990 529669259 /nfs/dbraw/zinc/66/92/59/529669259.db2.gz SBYGUPVBYNGOES-WDEREUQCSA-N 1 0 248.395 3.993 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1ccc2ncsc2c1 ZINC000485805517 533837803 /nfs/dbraw/zinc/83/78/03/533837803.db2.gz MAEGYWCETPRJNT-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1ccc2ncsc2c1 ZINC000485805518 533368005 /nfs/dbraw/zinc/36/80/05/533368005.db2.gz MAEGYWCETPRJNT-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1ccc2ncsc2c1 ZINC000485850024 533843345 /nfs/dbraw/zinc/84/33/45/533843345.db2.gz YBMLMDMOJVEFOX-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1ccc2ncsc2c1 ZINC000485850025 533374226 /nfs/dbraw/zinc/37/42/26/533374226.db2.gz YBMLMDMOJVEFOX-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO CCC1(CC)CC[NH+](CCCCCOC)CC1 ZINC000485854892 529057786 /nfs/dbraw/zinc/05/77/86/529057786.db2.gz NLIQAPFTNOFVHW-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO CCC1(CC)CC[NH+](CCCOC(C)C)CC1 ZINC000485859586 529057100 /nfs/dbraw/zinc/05/71/00/529057100.db2.gz NFTSYAKKZIWCIN-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485860291 527992658 /nfs/dbraw/zinc/99/26/58/527992658.db2.gz OLAGZXDOVXLBCU-ARFHVFGLSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485860292 527993576 /nfs/dbraw/zinc/99/35/76/527993576.db2.gz OLAGZXDOVXLBCU-BZUAXINKSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485860293 527993852 /nfs/dbraw/zinc/99/38/52/527993852.db2.gz OLAGZXDOVXLBCU-OAGGEKHMSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485860294 527993103 /nfs/dbraw/zinc/99/31/03/527993103.db2.gz OLAGZXDOVXLBCU-XHSDSOJGSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CCCCC(F)(F)F ZINC000485881915 225260777 /nfs/dbraw/zinc/26/07/77/225260777.db2.gz MOWIBQWXIILVQO-LLVKDONJSA-N 1 0 237.309 3.984 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CCCCC(F)(F)F ZINC000485881917 225260373 /nfs/dbraw/zinc/26/03/73/225260373.db2.gz MOWIBQWXIILVQO-NSHDSACASA-N 1 0 237.309 3.984 20 0 BHADRO CCC1(CC)CC[NH+](CCC(F)(F)F)CC1 ZINC000485884280 529057048 /nfs/dbraw/zinc/05/70/48/529057048.db2.gz WKSBGSZKVAIFCV-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CCCN(c1cc[nH+]c2ccccc21)C1CC1 ZINC000485977506 528161027 /nfs/dbraw/zinc/16/10/27/528161027.db2.gz KORJDAKNQTXLCO-UHFFFAOYSA-N 1 0 226.323 3.614 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(c2ccsc2)CC1 ZINC000485990927 529320082 /nfs/dbraw/zinc/32/00/82/529320082.db2.gz PKNVJWKNQBTNPM-GFCCVEGCSA-N 1 0 237.412 3.974 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(c2ccsc2)CC1 ZINC000485990933 529659137 /nfs/dbraw/zinc/65/91/37/529659137.db2.gz PKNVJWKNQBTNPM-LBPRGKRZSA-N 1 0 237.412 3.974 20 0 BHADRO CC(C)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000485998493 527725575 /nfs/dbraw/zinc/72/55/75/527725575.db2.gz YOFWTJNSVXJSIS-UHFFFAOYSA-N 1 0 237.412 3.974 20 0 BHADRO C[C@@H]1C[C@H](C[NH2+]C(C)(C)CC(C)(C)C)CCO1 ZINC000486195597 225261683 /nfs/dbraw/zinc/26/16/83/225261683.db2.gz GYLDQFYSVYQZIN-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1C[C@@H](C[NH2+]C(C)(C)CC(C)(C)C)CCO1 ZINC000486195598 225262452 /nfs/dbraw/zinc/26/24/52/225262452.db2.gz GYLDQFYSVYQZIN-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1C[C@H](C[NH2+]C(C)(C)CC(C)(C)C)CCO1 ZINC000486195599 225262470 /nfs/dbraw/zinc/26/24/70/225262470.db2.gz GYLDQFYSVYQZIN-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1C[C@@H](C[NH2+]C(C)(C)CC(C)(C)C)CCO1 ZINC000486195600 534083021 /nfs/dbraw/zinc/08/30/21/534083021.db2.gz GYLDQFYSVYQZIN-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C=C/c1ccncc1 ZINC000486241244 225262860 /nfs/dbraw/zinc/26/28/60/225262860.db2.gz BRJVUCXREGQEQB-HMQGTJFBSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C/C=C\c1ccncc1 ZINC000486241272 533606765 /nfs/dbraw/zinc/60/67/65/533606765.db2.gz BRJVUCXREGQEQB-QAOXIVLQSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C=C\c1ccncc1 ZINC000486241274 225262979 /nfs/dbraw/zinc/26/29/79/225262979.db2.gz BRJVUCXREGQEQB-UYTOFJLZSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C/C=C/c1ccncc1 ZINC000486241484 533607381 /nfs/dbraw/zinc/60/73/81/533607381.db2.gz BRJVUCXREGQEQB-WQELODFKSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000486425586 225264225 /nfs/dbraw/zinc/26/42/25/225264225.db2.gz RUQQYLSVRVEGBB-GFCCVEGCSA-N 1 0 226.323 3.614 20 0 BHADRO C[C@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000486425800 534169084 /nfs/dbraw/zinc/16/90/84/534169084.db2.gz RUQQYLSVRVEGBB-LBPRGKRZSA-N 1 0 226.323 3.614 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486675054 533803971 /nfs/dbraw/zinc/80/39/71/533803971.db2.gz JFGJJZKHJLXYJJ-UHFFFAOYSA-N 1 0 243.394 3.850 20 0 BHADRO Fc1ccc2cc(C[NH2+]CC3CCCC3)[nH]c2c1 ZINC000486677656 534507406 /nfs/dbraw/zinc/50/74/06/534507406.db2.gz DLJXJBGCBYSPBZ-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486677726 528614504 /nfs/dbraw/zinc/61/45/04/528614504.db2.gz PWPQJOHVUVTLHV-UHFFFAOYSA-N 1 0 248.345 3.975 20 0 BHADRO Cc1ccccc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000486680031 225268242 /nfs/dbraw/zinc/26/82/42/225268242.db2.gz XFQXPKLUVLDDRJ-UHFFFAOYSA-N 1 0 243.394 3.850 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486682901 538055532 /nfs/dbraw/zinc/05/55/32/538055532.db2.gz NUTLNDBTJIPHRP-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486683591 528427305 /nfs/dbraw/zinc/42/73/05/528427305.db2.gz PWXKBEWCVWVUPV-HZMBPMFUSA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@H]1C[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486683593 528437175 /nfs/dbraw/zinc/43/71/75/528437175.db2.gz PWXKBEWCVWVUPV-IINYFYTJSA-N 1 0 246.329 3.585 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486683595 527832115 /nfs/dbraw/zinc/83/21/15/527832115.db2.gz PWXKBEWCVWVUPV-YGRLFVJLSA-N 1 0 246.329 3.585 20 0 BHADRO Cc1ccsc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000486685270 225267578 /nfs/dbraw/zinc/26/75/78/225267578.db2.gz DFDYICSIXLJBKM-UHFFFAOYSA-N 1 0 249.423 3.911 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486690208 527670826 /nfs/dbraw/zinc/67/08/26/527670826.db2.gz DLLGEAOJPBILBP-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486691906 527406952 /nfs/dbraw/zinc/40/69/52/527406952.db2.gz VHWBIPSKMCMXJK-UHFFFAOYSA-N 1 0 246.329 3.753 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486691965 527704857 /nfs/dbraw/zinc/70/48/57/527704857.db2.gz WEOFASNVYQRRBL-UHFFFAOYSA-N 1 0 248.345 3.833 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486693929 533504383 /nfs/dbraw/zinc/50/43/83/533504383.db2.gz LFEHJCPDFWLAFJ-JTQLQIEISA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486693930 533767785 /nfs/dbraw/zinc/76/77/85/533767785.db2.gz LFEHJCPDFWLAFJ-SNVBAGLBSA-N 1 0 246.329 3.585 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486699667 529393793 /nfs/dbraw/zinc/39/37/93/529393793.db2.gz KRIXLHHZYBWIIA-GHMZBOCLSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486699668 529413581 /nfs/dbraw/zinc/41/35/81/529413581.db2.gz KRIXLHHZYBWIIA-MNOVXSKESA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486699669 529241888 /nfs/dbraw/zinc/24/18/88/529241888.db2.gz KRIXLHHZYBWIIA-QWRGUYRKSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486699670 529207239 /nfs/dbraw/zinc/20/72/39/529207239.db2.gz KRIXLHHZYBWIIA-WDEREUQCSA-N 1 0 248.345 3.831 20 0 BHADRO Fc1ccc2cc(C[NH2+][C@@H]3C=CCCC3)[nH]c2c1 ZINC000486699835 534507257 /nfs/dbraw/zinc/50/72/57/534507257.db2.gz XYSRVGOOXCBBKF-CYBMUJFWSA-N 1 0 244.313 3.505 20 0 BHADRO Fc1ccc2cc(C[NH2+][C@H]3C=CCCC3)[nH]c2c1 ZINC000486699836 534507580 /nfs/dbraw/zinc/50/75/80/534507580.db2.gz XYSRVGOOXCBBKF-ZDUSSCGKSA-N 1 0 244.313 3.505 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486700556 528922864 /nfs/dbraw/zinc/92/28/64/528922864.db2.gz ZEPBQZJVGFJPHF-CYBMUJFWSA-N 1 0 248.345 3.975 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486700557 528104604 /nfs/dbraw/zinc/10/46/04/528104604.db2.gz ZEPBQZJVGFJPHF-ZDUSSCGKSA-N 1 0 248.345 3.975 20 0 BHADRO Cc1cccc(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000486701838 225268179 /nfs/dbraw/zinc/26/81/79/225268179.db2.gz UASWICHMJXHIOZ-UHFFFAOYSA-N 1 0 243.394 3.850 20 0 BHADRO Fc1ccc2cc(C[NH2+][C@@H]3CC=CCC3)[nH]c2c1 ZINC000486705682 534507777 /nfs/dbraw/zinc/50/77/77/534507777.db2.gz JGLLQZJNFZMQNW-CYBMUJFWSA-N 1 0 244.313 3.505 20 0 BHADRO Fc1ccc2cc(C[NH2+][C@H]3CC=CCC3)[nH]c2c1 ZINC000486705683 534506521 /nfs/dbraw/zinc/50/65/21/534506521.db2.gz JGLLQZJNFZMQNW-ZDUSSCGKSA-N 1 0 244.313 3.505 20 0 BHADRO Fc1ccc2cc(C[NH2+]C3CCCCC3)[nH]c2c1 ZINC000486706813 534507565 /nfs/dbraw/zinc/50/75/65/534507565.db2.gz BFKFYFRRVDZVOC-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CCC1([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCC1 ZINC000486707298 527801440 /nfs/dbraw/zinc/80/14/40/527801440.db2.gz WYOYTFBQNZEEEO-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708779 528563533 /nfs/dbraw/zinc/56/35/33/528563533.db2.gz PQQYVTPAWDUZJF-UHFFFAOYSA-N 1 0 234.318 3.585 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)C(C)C ZINC000486709210 529624615 /nfs/dbraw/zinc/62/46/15/529624615.db2.gz QJWZPVXKGFAEMY-AWEZNQCLSA-N 1 0 248.345 3.831 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)C(C)C ZINC000486709212 529182234 /nfs/dbraw/zinc/18/22/34/529182234.db2.gz QJWZPVXKGFAEMY-CQSZACIVSA-N 1 0 248.345 3.831 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486709560 528803271 /nfs/dbraw/zinc/80/32/71/528803271.db2.gz LZGFMUHRNPJPSW-UHFFFAOYSA-N 1 0 234.318 3.585 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486711193 527991944 /nfs/dbraw/zinc/99/19/44/527991944.db2.gz LKRPPFAUQIPUOT-UHFFFAOYSA-N 1 0 248.345 3.975 20 0 BHADRO CCCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486713757 528215670 /nfs/dbraw/zinc/21/56/70/528215670.db2.gz QJVDQFIEFBJCMJ-UHFFFAOYSA-N 1 0 234.318 3.587 20 0 BHADRO c1ccc(CCC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486714747 534485559 /nfs/dbraw/zinc/48/55/59/534485559.db2.gz ZGVGVZSQNRVHTK-UHFFFAOYSA-N 1 0 243.394 3.932 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486722695 528949138 /nfs/dbraw/zinc/94/91/38/528949138.db2.gz JWGCQMWEJSIPRA-LLVKDONJSA-N 1 0 248.345 3.689 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486722696 528397956 /nfs/dbraw/zinc/39/79/56/528397956.db2.gz JWGCQMWEJSIPRA-NSHDSACASA-N 1 0 248.345 3.689 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486722932 533765590 /nfs/dbraw/zinc/76/55/90/533765590.db2.gz QHILSJJMMGBLJH-GWCFXTLKSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486722939 533713078 /nfs/dbraw/zinc/71/30/78/533713078.db2.gz QHILSJJMMGBLJH-GXFFZTMASA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486722941 534257291 /nfs/dbraw/zinc/25/72/91/534257291.db2.gz QHILSJJMMGBLJH-MFKMUULPSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486722945 225267196 /nfs/dbraw/zinc/26/71/96/225267196.db2.gz QHILSJJMMGBLJH-ZWNOBZJWSA-N 1 0 246.329 3.585 20 0 BHADRO CC1([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCC1 ZINC000486725172 528032663 /nfs/dbraw/zinc/03/26/63/528032663.db2.gz WTWQJHZCUXOBED-UHFFFAOYSA-N 1 0 246.329 3.729 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486729423 528267318 /nfs/dbraw/zinc/26/73/18/528267318.db2.gz VETZMOFZGRYOBL-LLVKDONJSA-N 1 0 248.345 3.831 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486729425 528475580 /nfs/dbraw/zinc/47/55/80/528475580.db2.gz VETZMOFZGRYOBL-NSHDSACASA-N 1 0 248.345 3.831 20 0 BHADRO C[N@H+](CCc1cc(Cl)ccc1Cl)C1CC1 ZINC000486739206 529932659 /nfs/dbraw/zinc/93/26/59/529932659.db2.gz SHMGYLIDDMCKFZ-UHFFFAOYSA-N 1 0 244.165 3.630 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000486781063 225268577 /nfs/dbraw/zinc/26/85/77/225268577.db2.gz WFJWESINHHKOKP-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000486781064 225269485 /nfs/dbraw/zinc/26/94/85/225269485.db2.gz WFJWESINHHKOKP-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000486784158 528262163 /nfs/dbraw/zinc/26/21/63/528262163.db2.gz XGPUHJLXDIPLFI-CABCVRRESA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000486784159 528275165 /nfs/dbraw/zinc/27/51/65/528275165.db2.gz XGPUHJLXDIPLFI-GJZGRUSLSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000486784160 528262290 /nfs/dbraw/zinc/26/22/90/528262290.db2.gz XGPUHJLXDIPLFI-HUUCEWRRSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000486784161 528275079 /nfs/dbraw/zinc/27/50/79/528275079.db2.gz XGPUHJLXDIPLFI-LSDHHAIUSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCSC ZINC000486787370 528906612 /nfs/dbraw/zinc/90/66/12/528906612.db2.gz LAKQHBGGONYLLD-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCSC ZINC000486787375 528904090 /nfs/dbraw/zinc/90/40/90/528904090.db2.gz LAKQHBGGONYLLD-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCSC ZINC000486787376 528082182 /nfs/dbraw/zinc/08/21/82/528082182.db2.gz LAKQHBGGONYLLD-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCSC ZINC000486787377 528074183 /nfs/dbraw/zinc/07/41/83/528074183.db2.gz LAKQHBGGONYLLD-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486788754 528903504 /nfs/dbraw/zinc/90/35/04/528903504.db2.gz RGBPRAIMUYUPTC-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486788755 528073290 /nfs/dbraw/zinc/07/32/90/528073290.db2.gz RGBPRAIMUYUPTC-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486788756 528906455 /nfs/dbraw/zinc/90/64/55/528906455.db2.gz RGBPRAIMUYUPTC-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486788757 528082091 /nfs/dbraw/zinc/08/20/91/528082091.db2.gz RGBPRAIMUYUPTC-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000486788972 534432326 /nfs/dbraw/zinc/43/23/26/534432326.db2.gz PIQKLBZSYGPBHK-AWEZNQCLSA-N 1 0 227.367 3.781 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000486788973 534432607 /nfs/dbraw/zinc/43/26/07/534432607.db2.gz PIQKLBZSYGPBHK-CQSZACIVSA-N 1 0 227.367 3.781 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486791719 527820265 /nfs/dbraw/zinc/82/02/65/527820265.db2.gz PHUWXZSURCLLBT-HNNXBMFYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486791720 527857744 /nfs/dbraw/zinc/85/77/44/527857744.db2.gz PHUWXZSURCLLBT-OAHLLOKOSA-N 1 0 241.419 3.702 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486796181 534431738 /nfs/dbraw/zinc/43/17/38/534431738.db2.gz APHXCCUXNSLVIR-INIZCTEOSA-N 1 0 249.373 3.833 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000486796191 534431277 /nfs/dbraw/zinc/43/12/77/534431277.db2.gz APHXCCUXNSLVIR-MRXNPFEDSA-N 1 0 249.373 3.833 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000486799034 528275362 /nfs/dbraw/zinc/27/53/62/528275362.db2.gz LWISNGNRMCWLRS-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000486799036 528262407 /nfs/dbraw/zinc/26/24/07/528262407.db2.gz LWISNGNRMCWLRS-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC000486800117 528274540 /nfs/dbraw/zinc/27/45/40/528274540.db2.gz HZCDGWXGWBYKIE-AWEZNQCLSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC000486800123 528262363 /nfs/dbraw/zinc/26/23/63/528262363.db2.gz HZCDGWXGWBYKIE-CQSZACIVSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCCCCOC ZINC000486800748 528274972 /nfs/dbraw/zinc/27/49/72/528274972.db2.gz SSXSJNHHTYCVSN-HNNXBMFYSA-N 1 0 241.419 3.848 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCCCCOC ZINC000486800749 528262604 /nfs/dbraw/zinc/26/26/04/528262604.db2.gz SSXSJNHHTYCVSN-OAHLLOKOSA-N 1 0 241.419 3.848 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCCSC ZINC000486801547 528262036 /nfs/dbraw/zinc/26/20/36/528262036.db2.gz UZYQDKNJJIGELE-CYBMUJFWSA-N 1 0 229.433 3.784 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCCSC ZINC000486801548 528274710 /nfs/dbraw/zinc/27/47/10/528274710.db2.gz UZYQDKNJJIGELE-ZDUSSCGKSA-N 1 0 229.433 3.784 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCCCOC ZINC000486802577 528904337 /nfs/dbraw/zinc/90/43/37/528904337.db2.gz NODXJMJDIBKGMX-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCCCOC ZINC000486802579 528074313 /nfs/dbraw/zinc/07/43/13/528074313.db2.gz NODXJMJDIBKGMX-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCCCOC ZINC000486802581 528906400 /nfs/dbraw/zinc/90/64/00/528906400.db2.gz NODXJMJDIBKGMX-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCCCOC ZINC000486802582 528080943 /nfs/dbraw/zinc/08/09/43/528080943.db2.gz NODXJMJDIBKGMX-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486807858 528275067 /nfs/dbraw/zinc/27/50/67/528275067.db2.gz ADPLGKSHHMLEEK-HNNXBMFYSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000486807859 528262574 /nfs/dbraw/zinc/26/25/74/528262574.db2.gz ADPLGKSHHMLEEK-OAHLLOKOSA-N 1 0 241.419 3.846 20 0 BHADRO Clc1ccc(Cl)c(CC[NH+]2CCCC2)c1 ZINC000486815456 534639758 /nfs/dbraw/zinc/63/97/58/534639758.db2.gz NRGQNPZWHJMHAZ-UHFFFAOYSA-N 1 0 244.165 3.632 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000486857159 225271201 /nfs/dbraw/zinc/27/12/01/225271201.db2.gz ROJKUWWDKHIHLQ-CVEARBPZSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000486857160 225270789 /nfs/dbraw/zinc/27/07/89/225270789.db2.gz ROJKUWWDKHIHLQ-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000486857161 225270831 /nfs/dbraw/zinc/27/08/31/225270831.db2.gz ROJKUWWDKHIHLQ-HZPDHXFCSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000486857162 225271022 /nfs/dbraw/zinc/27/10/22/225271022.db2.gz ROJKUWWDKHIHLQ-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486861513 528067137 /nfs/dbraw/zinc/06/71/37/528067137.db2.gz ZMYCRYJENKCABH-CVEARBPZSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486861527 528067600 /nfs/dbraw/zinc/06/76/00/528067600.db2.gz ZMYCRYJENKCABH-HOTGVXAUSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486861528 528067554 /nfs/dbraw/zinc/06/75/54/528067554.db2.gz ZMYCRYJENKCABH-HZPDHXFCSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000486861529 528067590 /nfs/dbraw/zinc/06/75/90/528067590.db2.gz ZMYCRYJENKCABH-JKSUJKDBSA-N 1 0 231.383 3.958 20 0 BHADRO CCOc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1 ZINC000486879638 528455961 /nfs/dbraw/zinc/45/59/61/528455961.db2.gz JIZDDEWDFNFNPD-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000486893444 527627991 /nfs/dbraw/zinc/62/79/91/527627991.db2.gz KDFYFJHKUAXLBS-XEBKBJJBSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000486893445 527626887 /nfs/dbraw/zinc/62/68/87/527626887.db2.gz KDFYFJHKUAXLBS-YGONEPDPSA-N 1 0 249.373 3.953 20 0 BHADRO CCOc1ccccc1C[NH2+]C1CC(C(C)C)C1 ZINC000486894571 528730569 /nfs/dbraw/zinc/73/05/69/528730569.db2.gz ANRDPCOLTJQNPE-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC000486899924 527625555 /nfs/dbraw/zinc/62/55/55/527625555.db2.gz RJZDSHWLYBDPMA-RMKNXTFCSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC000486899925 527625737 /nfs/dbraw/zinc/62/57/37/527625737.db2.gz RJZDSHWLYBDPMA-TWGQIWQCSA-N 1 0 229.367 3.724 20 0 BHADRO CSc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1 ZINC000486901189 532956860 /nfs/dbraw/zinc/95/68/60/532956860.db2.gz HXPJTLBDZPWWBC-UHFFFAOYSA-N 1 0 249.423 3.933 20 0 BHADRO CCCCC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000486933122 528215530 /nfs/dbraw/zinc/21/55/30/528215530.db2.gz DYHINSLVUADWPW-UHFFFAOYSA-N 1 0 239.334 3.504 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccncc1)c1cccs1 ZINC000486938074 533328484 /nfs/dbraw/zinc/32/84/84/533328484.db2.gz NYZCTYHUTRGGEG-DTRQGZQOSA-N 1 0 244.363 3.507 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccncc1)c1cccs1 ZINC000486938076 533326291 /nfs/dbraw/zinc/32/62/91/533326291.db2.gz NYZCTYHUTRGGEG-FXMSTWTQSA-N 1 0 244.363 3.507 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccncc1)c1cccs1 ZINC000486938077 533788592 /nfs/dbraw/zinc/78/85/92/533788592.db2.gz NYZCTYHUTRGGEG-KMOQFTEPSA-N 1 0 244.363 3.507 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccncc1)c1cccs1 ZINC000486938079 533788522 /nfs/dbraw/zinc/78/85/22/533788522.db2.gz NYZCTYHUTRGGEG-QQHVMHFCSA-N 1 0 244.363 3.507 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000486939516 527705615 /nfs/dbraw/zinc/70/56/15/527705615.db2.gz OFBHMIVPXINKCA-GTBONMDNSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000486939517 527706299 /nfs/dbraw/zinc/70/62/99/527706299.db2.gz OFBHMIVPXINKCA-KKTNHOPESA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000486939519 527706251 /nfs/dbraw/zinc/70/62/51/527706251.db2.gz OFBHMIVPXINKCA-PXTSUWAFSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000486939520 527705666 /nfs/dbraw/zinc/70/56/66/527705666.db2.gz OFBHMIVPXINKCA-SBJJXXPASA-N 1 0 246.398 3.899 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C/C=C\c1ccncc1 ZINC000486939638 528781303 /nfs/dbraw/zinc/78/13/03/528781303.db2.gz QBNIKKGMQNPXKX-DDJMYBDESA-N 1 0 246.398 3.901 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C/C=C\c1ccncc1 ZINC000486939639 528912819 /nfs/dbraw/zinc/91/28/19/528912819.db2.gz QBNIKKGMQNPXKX-LYASGUKUSA-N 1 0 246.398 3.901 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C/C=C/c1ccncc1 ZINC000486939640 528781179 /nfs/dbraw/zinc/78/11/79/528781179.db2.gz QBNIKKGMQNPXKX-PMGBHYCQSA-N 1 0 246.398 3.901 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C/C=C/c1ccncc1 ZINC000486939641 528912815 /nfs/dbraw/zinc/91/28/15/528912815.db2.gz QBNIKKGMQNPXKX-VFADXPBXSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H]1C ZINC000486941821 387873567 /nfs/dbraw/zinc/87/35/67/387873567.db2.gz SNBFLZDSMRKKCD-SHONRNSVSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H]1C ZINC000486941826 387873410 /nfs/dbraw/zinc/87/34/10/387873410.db2.gz SNBFLZDSMRKKCD-WHZIXWOQSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H]1C ZINC000486941828 387873308 /nfs/dbraw/zinc/87/33/08/387873308.db2.gz SNBFLZDSMRKKCD-XUEJWFOVSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H]1C ZINC000486941836 387873336 /nfs/dbraw/zinc/87/33/36/387873336.db2.gz SNBFLZDSMRKKCD-ZOENZFFSSA-N 1 0 244.382 3.509 20 0 BHADRO C(=C\c1ccncc1)\C[NH2+]CCC1CCCCC1 ZINC000486941905 527472477 /nfs/dbraw/zinc/47/24/77/527472477.db2.gz SUYNQLIYONENRE-DAXSKMNVSA-N 1 0 244.382 3.655 20 0 BHADRO C(=C/c1ccncc1)\C[NH2+]CCC1CCCCC1 ZINC000486941906 527469564 /nfs/dbraw/zinc/46/95/64/527469564.db2.gz SUYNQLIYONENRE-QPJJXVBHSA-N 1 0 244.382 3.655 20 0 BHADRO C(=C/c1ccncc1)\C[NH2+]CCCC1CCCC1 ZINC000486945170 527469596 /nfs/dbraw/zinc/46/95/96/527469596.db2.gz XWMSIVCKAJGUFE-XBXARRHUSA-N 1 0 244.382 3.655 20 0 BHADRO C(=C\c1ccncc1)\C[NH2+]CCCC1CCCC1 ZINC000486945172 527472788 /nfs/dbraw/zinc/47/27/88/527472788.db2.gz XWMSIVCKAJGUFE-YWEYNIOJSA-N 1 0 244.382 3.655 20 0 BHADRO CCOc1ccc(C[NH2+]C(C)(C)CC)cc1F ZINC000486947510 528456026 /nfs/dbraw/zinc/45/60/26/528456026.db2.gz UPQKXVBDTSODTP-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CC(C)COc1ccccc1C[NH2+]CC1(C)CC1 ZINC000486953730 528182709 /nfs/dbraw/zinc/18/27/09/528182709.db2.gz GIUPDXOBEWCXQT-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO CCC1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486954522 527856876 /nfs/dbraw/zinc/85/68/76/527856876.db2.gz IKPSYCDPEKTFHY-ARJAWSKDSA-N 1 0 244.382 3.653 20 0 BHADRO CCC1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486954524 527857331 /nfs/dbraw/zinc/85/73/31/527857331.db2.gz IKPSYCDPEKTFHY-ONEGZZNKSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486958553 533599609 /nfs/dbraw/zinc/59/96/09/533599609.db2.gz SKBKRCVPEUEBKH-DURLZJIISA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486958554 225275459 /nfs/dbraw/zinc/27/54/59/225275459.db2.gz SKBKRCVPEUEBKH-RXBJYRPYSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486958555 225277320 /nfs/dbraw/zinc/27/73/20/225277320.db2.gz SKBKRCVPEUEBKH-UKWDMRDTSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486958556 533599277 /nfs/dbraw/zinc/59/92/77/533599277.db2.gz SKBKRCVPEUEBKH-WQDDEOEWSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000486971338 529289708 /nfs/dbraw/zinc/28/97/08/529289708.db2.gz SIKPAXKUDUFHHY-DOOVEFGSSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000486971340 529289906 /nfs/dbraw/zinc/28/99/06/529289906.db2.gz SIKPAXKUDUFHHY-ILNYKDOHSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000486971342 529282456 /nfs/dbraw/zinc/28/24/56/529282456.db2.gz SIKPAXKUDUFHHY-OKQSBHACSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000486971344 529282438 /nfs/dbraw/zinc/28/24/38/529282438.db2.gz SIKPAXKUDUFHHY-QDNWOOLPSA-N 1 0 244.382 3.653 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C/C=C\c1ccncc1 ZINC000486980196 527649889 /nfs/dbraw/zinc/64/98/89/527649889.db2.gz MDZQOVQNBUWCRY-SREVYHEPSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]C/C=C/c1ccncc1 ZINC000486980197 527649454 /nfs/dbraw/zinc/64/94/54/527649454.db2.gz MDZQOVQNBUWCRY-VOTSOKGWSA-N 1 0 246.398 3.899 20 0 BHADRO C(=C\c1ccncc1)\C[NH2+]CCC1=CCCCC1 ZINC000486983188 527472490 /nfs/dbraw/zinc/47/24/90/527472490.db2.gz DBUGLMJDJFJBHK-DAXSKMNVSA-N 1 0 242.366 3.575 20 0 BHADRO C(=C/c1ccncc1)\C[NH2+]CCC1=CCCCC1 ZINC000486983189 527469921 /nfs/dbraw/zinc/46/99/21/527469921.db2.gz DBUGLMJDJFJBHK-QPJJXVBHSA-N 1 0 242.366 3.575 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000486986517 527805146 /nfs/dbraw/zinc/80/51/46/527805146.db2.gz JXIMSJCNUFCWSO-ISZGNANSSA-N 1 0 232.371 3.509 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000486986518 527843383 /nfs/dbraw/zinc/84/33/83/527843383.db2.gz JXIMSJCNUFCWSO-NNTXTVRGSA-N 1 0 232.371 3.509 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000486986519 527842859 /nfs/dbraw/zinc/84/28/59/527842859.db2.gz JXIMSJCNUFCWSO-WSNITJDQSA-N 1 0 232.371 3.509 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000486986520 527805655 /nfs/dbraw/zinc/80/56/55/527805655.db2.gz JXIMSJCNUFCWSO-ZRUQZJFASA-N 1 0 232.371 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486988239 225279968 /nfs/dbraw/zinc/27/99/68/225279968.db2.gz IFYZBFXXDLWVDX-CQEQRNRBSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486988240 533857010 /nfs/dbraw/zinc/85/70/10/533857010.db2.gz IFYZBFXXDLWVDX-JIVAZCRISA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486988241 533856652 /nfs/dbraw/zinc/85/66/52/533856652.db2.gz IFYZBFXXDLWVDX-OBMCYFHOSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486988242 225279940 /nfs/dbraw/zinc/27/99/40/225279940.db2.gz IFYZBFXXDLWVDX-PDMJIFDVSA-N 1 0 244.382 3.511 20 0 BHADRO CC1CCC(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486989378 528183774 /nfs/dbraw/zinc/18/37/74/528183774.db2.gz LULPVSQQDQENGB-IHWYPQMZSA-N 1 0 244.382 3.511 20 0 BHADRO CC1CCC(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486989380 528183211 /nfs/dbraw/zinc/18/32/11/528183211.db2.gz LULPVSQQDQENGB-NSCUHMNNSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C/C=C\c1ccncc1 ZINC000486991442 398047294 /nfs/dbraw/zinc/04/72/94/398047294.db2.gz WEWVVTWQVWFYPP-ALCJFRFOSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C/C=C/c1ccncc1 ZINC000486991443 398046476 /nfs/dbraw/zinc/04/64/76/398046476.db2.gz WEWVVTWQVWFYPP-HMJDLUCASA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@H](C)C1[NH2+]C/C=C\c1ccncc1 ZINC000486991444 398046972 /nfs/dbraw/zinc/04/69/72/398046972.db2.gz WEWVVTWQVWFYPP-QWVQJOQMSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@H](C)C1[NH2+]C/C=C/c1ccncc1 ZINC000486991445 533819282 /nfs/dbraw/zinc/81/92/82/533819282.db2.gz WEWVVTWQVWFYPP-VWVMHYJUSA-N 1 0 244.382 3.509 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CCCCC2)nc1 ZINC000487161456 534085994 /nfs/dbraw/zinc/08/59/94/534085994.db2.gz QLPLHTMZIVELDQ-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC2CCCCC2)cn1 ZINC000487207659 538885220 /nfs/dbraw/zinc/88/52/20/538885220.db2.gz FZCVHASVJBNGIP-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1cccc(O)c1 ZINC000487212458 533781638 /nfs/dbraw/zinc/78/16/38/533781638.db2.gz UGQZZXGHTFJLNF-CYBMUJFWSA-N 1 0 247.382 3.841 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000487213626 533784830 /nfs/dbraw/zinc/78/48/30/533784830.db2.gz ZGWHISDULUJERP-IPYPFGDCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000487213627 533784131 /nfs/dbraw/zinc/78/41/31/533784131.db2.gz ZGWHISDULUJERP-NFAWXSAZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000487213629 533784279 /nfs/dbraw/zinc/78/42/79/533784279.db2.gz ZGWHISDULUJERP-UMVBOHGHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000487213631 533785069 /nfs/dbraw/zinc/78/50/69/533785069.db2.gz ZGWHISDULUJERP-VNHYZAJKSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000487229175 398022400 /nfs/dbraw/zinc/02/24/00/398022400.db2.gz BUPGTUAAOBRAMC-NEPJUHHUSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000487229177 398022500 /nfs/dbraw/zinc/02/25/00/398022500.db2.gz BUPGTUAAOBRAMC-NWDGAFQWSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000487229178 398022381 /nfs/dbraw/zinc/02/23/81/398022381.db2.gz BUPGTUAAOBRAMC-RYUDHWBXSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000487229179 398022570 /nfs/dbraw/zinc/02/25/70/398022570.db2.gz BUPGTUAAOBRAMC-VXGBXAGGSA-N 1 0 223.335 3.865 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2)CC1)[C@H]1CC1(C)C ZINC000487263546 533791288 /nfs/dbraw/zinc/79/12/88/533791288.db2.gz LMWAXRLUWADLBQ-GXTWGEPZSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000487263547 533790433 /nfs/dbraw/zinc/79/04/33/533790433.db2.gz LMWAXRLUWADLBQ-JSGCOSHPSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000487263548 533331017 /nfs/dbraw/zinc/33/10/17/533331017.db2.gz LMWAXRLUWADLBQ-OCCSQVGLSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)[C@H]1CC1(C)C ZINC000487263550 533330058 /nfs/dbraw/zinc/33/00/58/533330058.db2.gz LMWAXRLUWADLBQ-TZMCWYRMSA-N 1 0 229.367 3.700 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000487265484 529314217 /nfs/dbraw/zinc/31/42/17/529314217.db2.gz SRUBQFWUVHCNRF-CHWSQXEVSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000487265485 529314232 /nfs/dbraw/zinc/31/42/32/529314232.db2.gz SRUBQFWUVHCNRF-OLZOCXBDSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000487265488 529652076 /nfs/dbraw/zinc/65/20/76/529652076.db2.gz SRUBQFWUVHCNRF-QWHCGFSZSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000487265489 529652029 /nfs/dbraw/zinc/65/20/29/529652029.db2.gz SRUBQFWUVHCNRF-STQMWFEESA-N 1 0 235.371 3.734 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C/C=C\c1ccncc1 ZINC000487275594 533811813 /nfs/dbraw/zinc/81/18/13/533811813.db2.gz KQSWMUYDWQXDPR-GEXIGZQTSA-N 1 0 246.398 3.899 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C/C=C/c1ccncc1 ZINC000487275599 533520020 /nfs/dbraw/zinc/52/00/20/533520020.db2.gz KQSWMUYDWQXDPR-GJBLVYBDSA-N 1 0 246.398 3.899 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C/C=C\c1ccncc1 ZINC000487275602 533520175 /nfs/dbraw/zinc/52/01/75/533520175.db2.gz KQSWMUYDWQXDPR-GXMNPTEKSA-N 1 0 246.398 3.899 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C/C=C/c1ccncc1 ZINC000487275605 533811790 /nfs/dbraw/zinc/81/17/90/533811790.db2.gz KQSWMUYDWQXDPR-VBROQKIQSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)CC1(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487287051 527695409 /nfs/dbraw/zinc/69/54/09/527695409.db2.gz IDNLDTIQQBEVEE-ARJAWSKDSA-N 1 0 244.382 3.511 20 0 BHADRO CC(C)CC1(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487287052 527695481 /nfs/dbraw/zinc/69/54/81/527695481.db2.gz IDNLDTIQQBEVEE-ONEGZZNKSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccncc1 ZINC000487292560 529666293 /nfs/dbraw/zinc/66/62/93/529666293.db2.gz AYQZMKDEIQHKPC-BNOWGMLFSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccncc1 ZINC000487292561 529651002 /nfs/dbraw/zinc/65/10/02/529651002.db2.gz AYQZMKDEIQHKPC-UBHSHLNASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccncc1 ZINC000487292562 529665698 /nfs/dbraw/zinc/66/56/98/529665698.db2.gz AYQZMKDEIQHKPC-XBFCOCLRSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccncc1 ZINC000487292563 529650824 /nfs/dbraw/zinc/65/08/24/529650824.db2.gz AYQZMKDEIQHKPC-YUTCNCBUSA-N 1 0 232.371 3.557 20 0 BHADRO CCCC1(C[NH2+]C/C=C/c2ccncc2)CCC1 ZINC000487293367 528060125 /nfs/dbraw/zinc/06/01/25/528060125.db2.gz ZVERASPTAJXNHK-HWKANZROSA-N 1 0 244.382 3.655 20 0 BHADRO CCCC1(C[NH2+]C/C=C\c2ccncc2)CCC1 ZINC000487293368 528060827 /nfs/dbraw/zinc/06/08/27/528060827.db2.gz ZVERASPTAJXNHK-HYXAFXHYSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)(C)CCCC[NH2+]C/C=C\c1ccncc1 ZINC000487297742 527661712 /nfs/dbraw/zinc/66/17/12/527661712.db2.gz QVSDSABFXYWEIC-SREVYHEPSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)(C)CCCC[NH2+]C/C=C/c1ccncc1 ZINC000487297744 527661412 /nfs/dbraw/zinc/66/14/12/527661412.db2.gz QVSDSABFXYWEIC-VOTSOKGWSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487299834 529315438 /nfs/dbraw/zinc/31/54/38/529315438.db2.gz PGTKMOQXIHUBLZ-DURLZJIISA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487299835 529304529 /nfs/dbraw/zinc/30/45/29/529304529.db2.gz PGTKMOQXIHUBLZ-RXBJYRPYSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487299836 529304562 /nfs/dbraw/zinc/30/45/62/529304562.db2.gz PGTKMOQXIHUBLZ-UKWDMRDTSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487299837 529315442 /nfs/dbraw/zinc/31/54/42/529315442.db2.gz PGTKMOQXIHUBLZ-WQDDEOEWSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H](C)C1 ZINC000487301119 225297042 /nfs/dbraw/zinc/29/70/42/225297042.db2.gz HNXPPWOIXOAKFP-IITQBNNDSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H](C)C1 ZINC000487301120 225297287 /nfs/dbraw/zinc/29/72/87/225297287.db2.gz HNXPPWOIXOAKFP-MDPBFPLISA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H](C)C1 ZINC000487301122 225296590 /nfs/dbraw/zinc/29/65/90/225296590.db2.gz HNXPPWOIXOAKFP-RBUHOSLGSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H](C)C1 ZINC000487301124 385183262 /nfs/dbraw/zinc/18/32/62/385183262.db2.gz HNXPPWOIXOAKFP-YTFPOELNSA-N 1 0 244.382 3.509 20 0 BHADRO CCC1(C[NH2+]C/C=C/c2ccncc2)CCCC1 ZINC000487303208 527746581 /nfs/dbraw/zinc/74/65/81/527746581.db2.gz RTCLVNUXYMFRLF-AATRIKPKSA-N 1 0 244.382 3.655 20 0 BHADRO CCC1(C[NH2+]C/C=C\c2ccncc2)CCCC1 ZINC000487303209 527745879 /nfs/dbraw/zinc/74/58/79/527745879.db2.gz RTCLVNUXYMFRLF-WAYWQWQTSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487304038 528907961 /nfs/dbraw/zinc/90/79/61/528907961.db2.gz AYABLTBADFSWKW-ARJAWSKDSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487304040 528907303 /nfs/dbraw/zinc/90/73/03/528907303.db2.gz AYABLTBADFSWKW-ONEGZZNKSA-N 1 0 244.382 3.653 20 0 BHADRO CCC(CC)(CC)C[NH2+]C/C=C/c1ccncc1 ZINC000487304445 528630428 /nfs/dbraw/zinc/63/04/28/528630428.db2.gz UPJMUNWTVXENDQ-BQYQJAHWSA-N 1 0 246.398 3.901 20 0 BHADRO CCC(CC)(CC)C[NH2+]C/C=C\c1ccncc1 ZINC000487304446 528629735 /nfs/dbraw/zinc/62/97/35/528629735.db2.gz UPJMUNWTVXENDQ-FPLPWBNLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CC(C)(C)C[NH2+]C/C=C/c1ccncc1 ZINC000487305627 527680802 /nfs/dbraw/zinc/68/08/02/527680802.db2.gz YGDCUUYBSHAURD-AATRIKPKSA-N 1 0 246.398 3.757 20 0 BHADRO CC(C)CC(C)(C)C[NH2+]C/C=C\c1ccncc1 ZINC000487305628 527680589 /nfs/dbraw/zinc/68/05/89/527680589.db2.gz YGDCUUYBSHAURD-WAYWQWQTSA-N 1 0 246.398 3.757 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccncc1)C1CCCCC1 ZINC000487306274 533327540 /nfs/dbraw/zinc/32/75/40/533327540.db2.gz DSDQIUUVOVSHNS-GEXIGZQTSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccncc1)C1CCCCC1 ZINC000487306277 533789426 /nfs/dbraw/zinc/78/94/26/533789426.db2.gz DSDQIUUVOVSHNS-GJBLVYBDSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccncc1)C1CCCCC1 ZINC000487306280 533788579 /nfs/dbraw/zinc/78/85/79/533788579.db2.gz DSDQIUUVOVSHNS-GXMNPTEKSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccncc1)C1CCCCC1 ZINC000487306283 533326459 /nfs/dbraw/zinc/32/64/59/533326459.db2.gz DSDQIUUVOVSHNS-VBROQKIQSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@H]([NH2+]CCCNc1ccccc1)[C@H]1CC1(C)C ZINC000487309259 225298402 /nfs/dbraw/zinc/29/84/02/225298402.db2.gz NRHRXLWCBFDPGP-DZGCQCFKSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1CC1(C)C ZINC000487309261 533385172 /nfs/dbraw/zinc/38/51/72/533385172.db2.gz NRHRXLWCBFDPGP-HIFRSBDPSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]([NH2+]CCCNc1ccccc1)[C@H]1CC1(C)C ZINC000487309262 533385089 /nfs/dbraw/zinc/38/50/89/533385089.db2.gz NRHRXLWCBFDPGP-UKRRQHHQSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1CC1(C)C ZINC000487309264 225297862 /nfs/dbraw/zinc/29/78/62/225297862.db2.gz NRHRXLWCBFDPGP-ZFWWWQNUSA-N 1 0 246.398 3.513 20 0 BHADRO CC1CCC(C)([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487319160 528174749 /nfs/dbraw/zinc/17/47/49/528174749.db2.gz IQHHBTPYHPAPPH-ARJAWSKDSA-N 1 0 244.382 3.653 20 0 BHADRO CC1CCC(C)([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487319161 528174581 /nfs/dbraw/zinc/17/45/81/528174581.db2.gz IQHHBTPYHPAPPH-ONEGZZNKSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@H]1CC([NH2+]C/C=C/c2ccncc2)C[C@@H](C)C1 ZINC000487319273 225297860 /nfs/dbraw/zinc/29/78/60/225297860.db2.gz MGXIWDYLCAMKPT-DRWQEWGDSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@H]1CC([NH2+]C/C=C\c2ccncc2)C[C@@H](C)C1 ZINC000487319274 225298518 /nfs/dbraw/zinc/29/85/18/225298518.db2.gz MGXIWDYLCAMKPT-DYEIMHIMSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@H]1CC([NH2+]C/C=C\c2ccncc2)C[C@H](C)C1 ZINC000487319275 225297965 /nfs/dbraw/zinc/29/79/65/225297965.db2.gz MGXIWDYLCAMKPT-JHZNUDOXSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@H]1CC([NH2+]C/C=C/c2ccncc2)C[C@H](C)C1 ZINC000487319276 225297842 /nfs/dbraw/zinc/29/78/42/225297842.db2.gz MGXIWDYLCAMKPT-LSMGEYOZSA-N 1 0 244.382 3.509 20 0 BHADRO CCC(CC)(CC)[NH2+]C/C=C/c1ccncc1 ZINC000487325605 528636113 /nfs/dbraw/zinc/63/61/13/528636113.db2.gz OXDKADLFVSACMR-BQYQJAHWSA-N 1 0 232.371 3.653 20 0 BHADRO CCC(CC)(CC)[NH2+]C/C=C\c1ccncc1 ZINC000487325606 528636004 /nfs/dbraw/zinc/63/60/04/528636004.db2.gz OXDKADLFVSACMR-FPLPWBNLSA-N 1 0 232.371 3.653 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccncc1)C(C)(C)C ZINC000487327147 529583237 /nfs/dbraw/zinc/58/32/37/529583237.db2.gz REVVHYNFYNTFCE-AFNCTOJWSA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\c1ccncc1)C(C)(C)C ZINC000487327149 529680380 /nfs/dbraw/zinc/68/03/80/529680380.db2.gz REVVHYNFYNTFCE-LMVHVUTASA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/c1ccncc1)C(C)(C)C ZINC000487327151 529680590 /nfs/dbraw/zinc/68/05/90/529680590.db2.gz REVVHYNFYNTFCE-PSKZRQQASA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccncc1)C(C)(C)C ZINC000487327153 529583543 /nfs/dbraw/zinc/58/35/43/529583543.db2.gz REVVHYNFYNTFCE-UZYOAWRESA-N 1 0 232.371 3.509 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487327372 528923746 /nfs/dbraw/zinc/92/37/46/528923746.db2.gz ZJDRYXCFKSJGEF-IYKSTZQJSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487327373 528922572 /nfs/dbraw/zinc/92/25/72/528922572.db2.gz ZJDRYXCFKSJGEF-LLYBFZRZSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487327374 528918611 /nfs/dbraw/zinc/91/86/11/528918611.db2.gz ZJDRYXCFKSJGEF-NFAHFFEMSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487327375 528918484 /nfs/dbraw/zinc/91/84/84/528918484.db2.gz ZJDRYXCFKSJGEF-YVACAVLKSA-N 1 0 244.382 3.653 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000487330787 529683183 /nfs/dbraw/zinc/68/31/83/529683183.db2.gz WBMYMGNKFKUXIG-BEVHLOIGSA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000487330788 529679281 /nfs/dbraw/zinc/67/92/81/529679281.db2.gz WBMYMGNKFKUXIG-BUHQSOCUSA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000487330789 529683067 /nfs/dbraw/zinc/68/30/67/529683067.db2.gz WBMYMGNKFKUXIG-LAWSMPECSA-N 1 0 232.371 3.509 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000487330790 529678976 /nfs/dbraw/zinc/67/89/76/529678976.db2.gz WBMYMGNKFKUXIG-MEWZEZIVSA-N 1 0 232.371 3.509 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccco1 ZINC000487526554 225310785 /nfs/dbraw/zinc/31/07/85/225310785.db2.gz OLQAFDPKAHQBKV-AWEZNQCLSA-N 1 0 243.350 3.651 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000487526556 225310717 /nfs/dbraw/zinc/31/07/17/225310717.db2.gz OLQAFDPKAHQBKV-CQSZACIVSA-N 1 0 243.350 3.651 20 0 BHADRO CC(C)C(C[NH2+]C/C=C/c1ccncc1)C(C)C ZINC000487541349 527586540 /nfs/dbraw/zinc/58/65/40/527586540.db2.gz RLJCFWGHGANEFR-AATRIKPKSA-N 1 0 246.398 3.613 20 0 BHADRO CC(C)C(C[NH2+]C/C=C\c1ccncc1)C(C)C ZINC000487541350 527586205 /nfs/dbraw/zinc/58/62/05/527586205.db2.gz RLJCFWGHGANEFR-WAYWQWQTSA-N 1 0 246.398 3.613 20 0 BHADRO c1nc(C2CC2)c(C[NH2+]CCC2=CCCC2)s1 ZINC000487548112 538890772 /nfs/dbraw/zinc/89/07/72/538890772.db2.gz JYIKGUFARTXUKJ-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000487551936 527988429 /nfs/dbraw/zinc/98/84/29/527988429.db2.gz AFFDRGZFGNTGHT-CABCVRRESA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000487551937 527987711 /nfs/dbraw/zinc/98/77/11/527987711.db2.gz AFFDRGZFGNTGHT-GJZGRUSLSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000487551938 527987148 /nfs/dbraw/zinc/98/71/48/527987148.db2.gz AFFDRGZFGNTGHT-HUUCEWRRSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000487551939 527988270 /nfs/dbraw/zinc/98/82/70/527988270.db2.gz AFFDRGZFGNTGHT-LSDHHAIUSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000487555746 528171079 /nfs/dbraw/zinc/17/10/79/528171079.db2.gz GXHRYWQIPVAFBG-AWEZNQCLSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000487555750 528170699 /nfs/dbraw/zinc/17/06/99/528170699.db2.gz GXHRYWQIPVAFBG-CQSZACIVSA-N 1 0 249.423 3.653 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000487559275 529682257 /nfs/dbraw/zinc/68/22/57/529682257.db2.gz KRYMJXIABANANH-HUBLWGQQSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000487559277 529682275 /nfs/dbraw/zinc/68/22/75/529682275.db2.gz KRYMJXIABANANH-SLEUVZQESA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000487559279 529681905 /nfs/dbraw/zinc/68/19/05/529681905.db2.gz KRYMJXIABANANH-YWPYICTPSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000487559281 529681919 /nfs/dbraw/zinc/68/19/19/529681919.db2.gz KRYMJXIABANANH-ZOWXZIJZSA-N 1 0 246.398 3.729 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487563611 528960091 /nfs/dbraw/zinc/96/00/91/528960091.db2.gz RYATXNFKXROTBT-FOSCPCJNSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487563613 528959051 /nfs/dbraw/zinc/95/90/51/528959051.db2.gz RYATXNFKXROTBT-MBVDDHJVSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487563615 528985426 /nfs/dbraw/zinc/98/54/26/528985426.db2.gz RYATXNFKXROTBT-RGDDUWESSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487563618 528985163 /nfs/dbraw/zinc/98/51/63/528985163.db2.gz RYATXNFKXROTBT-XVWMLYKFSA-N 1 0 244.382 3.653 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000487563906 527988088 /nfs/dbraw/zinc/98/80/88/527988088.db2.gz VYXFNJALRATRBZ-CVEARBPZSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000487563908 527988389 /nfs/dbraw/zinc/98/83/89/527988389.db2.gz VYXFNJALRATRBZ-HOTGVXAUSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000487563909 527987934 /nfs/dbraw/zinc/98/79/34/527987934.db2.gz VYXFNJALRATRBZ-HZPDHXFCSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000487563911 527987120 /nfs/dbraw/zinc/98/71/20/527987120.db2.gz VYXFNJALRATRBZ-JKSUJKDBSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccncc2)C[C@@H]1C ZINC000487569403 225314256 /nfs/dbraw/zinc/31/42/56/225314256.db2.gz DOQJICXVVQTSOJ-IITQBNNDSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccncc2)C[C@H]1C ZINC000487569405 225315086 /nfs/dbraw/zinc/31/50/86/225315086.db2.gz DOQJICXVVQTSOJ-MDPBFPLISA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccncc2)C[C@H]1C ZINC000487569407 225314154 /nfs/dbraw/zinc/31/41/54/225314154.db2.gz DOQJICXVVQTSOJ-RBUHOSLGSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccncc2)C[C@@H]1C ZINC000487569408 225314643 /nfs/dbraw/zinc/31/46/43/225314643.db2.gz DOQJICXVVQTSOJ-YTFPOELNSA-N 1 0 244.382 3.509 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487576311 225315863 /nfs/dbraw/zinc/31/58/63/225315863.db2.gz WSIBHWBOJZNWFH-CEXNOZIFSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487576312 225315603 /nfs/dbraw/zinc/31/56/03/225315603.db2.gz WSIBHWBOJZNWFH-GCILFIKNSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487576313 225316437 /nfs/dbraw/zinc/31/64/37/225316437.db2.gz WSIBHWBOJZNWFH-IKKNBEIESA-N 1 0 244.382 3.653 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487576314 225315456 /nfs/dbraw/zinc/31/54/56/225315456.db2.gz WSIBHWBOJZNWFH-LDAMZSCKSA-N 1 0 244.382 3.653 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@@H]1CC1(C)C ZINC000487578662 225316218 /nfs/dbraw/zinc/31/62/18/225316218.db2.gz XYVNZSALLHMPCE-CQDKDKBSSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@H]1CC1(C)C ZINC000487578663 225316423 /nfs/dbraw/zinc/31/64/23/225316423.db2.gz XYVNZSALLHMPCE-GLQYFDAESA-N 1 0 244.382 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@H]1CC1(C)C ZINC000487578665 225316061 /nfs/dbraw/zinc/31/60/61/225316061.db2.gz XYVNZSALLHMPCE-NILFDRSVSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@@H]1CC1(C)C ZINC000487578667 225315423 /nfs/dbraw/zinc/31/54/23/225315423.db2.gz XYVNZSALLHMPCE-TUKIKUTGSA-N 1 0 244.382 3.557 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000487579477 219869603 /nfs/dbraw/zinc/86/96/03/219869603.db2.gz ZAGYQVIZKYCSJU-KBPBESRZSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000487579478 219869632 /nfs/dbraw/zinc/86/96/32/219869632.db2.gz ZAGYQVIZKYCSJU-KGLIPLIRSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000487579479 385511967 /nfs/dbraw/zinc/51/19/67/385511967.db2.gz ZAGYQVIZKYCSJU-UONOGXRCSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000487579480 385511423 /nfs/dbraw/zinc/51/14/23/385511423.db2.gz ZAGYQVIZKYCSJU-ZIAGYGMSSA-N 1 0 249.423 3.707 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000487958019 225334948 /nfs/dbraw/zinc/33/49/48/225334948.db2.gz XIWCXYYQZZVYEZ-KBPBESRZSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000487958021 225336582 /nfs/dbraw/zinc/33/65/82/225336582.db2.gz XIWCXYYQZZVYEZ-KGLIPLIRSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000487958023 225336718 /nfs/dbraw/zinc/33/67/18/225336718.db2.gz XIWCXYYQZZVYEZ-UONOGXRCSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000487958024 225336939 /nfs/dbraw/zinc/33/69/39/225336939.db2.gz XIWCXYYQZZVYEZ-ZIAGYGMSSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CC2CCC2)cc1 ZINC000487958640 225337051 /nfs/dbraw/zinc/33/70/51/225337051.db2.gz OUAUAYKCBULGNH-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CC2CCC2)cc1 ZINC000487958642 225336370 /nfs/dbraw/zinc/33/63/70/225336370.db2.gz OUAUAYKCBULGNH-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000487977215 528368006 /nfs/dbraw/zinc/36/80/06/528368006.db2.gz VUAHOFVUKFREDH-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CCCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000487977216 528368691 /nfs/dbraw/zinc/36/86/91/528368691.db2.gz VUAHOFVUKFREDH-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CC2CCC2)c1 ZINC000487984209 225339072 /nfs/dbraw/zinc/33/90/72/225339072.db2.gz AWZBNAADLXXRQF-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CC2CCC2)c1 ZINC000487984210 225338293 /nfs/dbraw/zinc/33/82/93/225338293.db2.gz AWZBNAADLXXRQF-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)CC2CCC2)cc1 ZINC000487991775 225340452 /nfs/dbraw/zinc/34/04/52/225340452.db2.gz WASSCEXHZTZUPP-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)CC2CCC2)cc1 ZINC000487991777 534114438 /nfs/dbraw/zinc/11/44/38/534114438.db2.gz WASSCEXHZTZUPP-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC1CCC1 ZINC000488007865 529542020 /nfs/dbraw/zinc/54/20/20/529542020.db2.gz JUXOLNGPYJYQPW-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC1CCC1 ZINC000488007866 529427311 /nfs/dbraw/zinc/42/73/11/529427311.db2.gz JUXOLNGPYJYQPW-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000488009550 533877178 /nfs/dbraw/zinc/87/71/78/533877178.db2.gz NOBCUOYWPAGDHA-HNNXBMFYSA-N 1 0 233.330 3.675 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000488009551 533877447 /nfs/dbraw/zinc/87/74/47/533877447.db2.gz NOBCUOYWPAGDHA-OAHLLOKOSA-N 1 0 233.330 3.675 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000488015683 225343322 /nfs/dbraw/zinc/34/33/22/225343322.db2.gz IYGLASGSPDOOBF-AWEZNQCLSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000488015684 225343058 /nfs/dbraw/zinc/34/30/58/225343058.db2.gz IYGLASGSPDOOBF-CQSZACIVSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)CC1CCC1 ZINC000488031276 225343327 /nfs/dbraw/zinc/34/33/27/225343327.db2.gz KSRZJOPZUPLIFC-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)CC1CCC1 ZINC000488031277 225342131 /nfs/dbraw/zinc/34/21/31/225342131.db2.gz KSRZJOPZUPLIFC-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCSC[C@@H](C)C2)c1 ZINC000488163512 225351330 /nfs/dbraw/zinc/35/13/30/225351330.db2.gz OTXUJMRIYIWCGJ-KBPBESRZSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCSC[C@H](C)C2)c1 ZINC000488163514 225352471 /nfs/dbraw/zinc/35/24/71/225352471.db2.gz OTXUJMRIYIWCGJ-KGLIPLIRSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCSC[C@@H](C)C2)c1 ZINC000488163516 225351701 /nfs/dbraw/zinc/35/17/01/225351701.db2.gz OTXUJMRIYIWCGJ-UONOGXRCSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCSC[C@H](C)C2)c1 ZINC000488163517 225350953 /nfs/dbraw/zinc/35/09/53/225350953.db2.gz OTXUJMRIYIWCGJ-ZIAGYGMSSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488164306 225351167 /nfs/dbraw/zinc/35/11/67/225351167.db2.gz QAVHDDJBHSAMQH-GXTWGEPZSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488164307 225350847 /nfs/dbraw/zinc/35/08/47/225350847.db2.gz QAVHDDJBHSAMQH-JSGCOSHPSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000488164308 225351483 /nfs/dbraw/zinc/35/14/83/225351483.db2.gz QAVHDDJBHSAMQH-OCCSQVGLSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000488164310 225351143 /nfs/dbraw/zinc/35/11/43/225351143.db2.gz QAVHDDJBHSAMQH-TZMCWYRMSA-N 1 0 249.423 3.741 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488165930 529182156 /nfs/dbraw/zinc/18/21/56/529182156.db2.gz TXMVZNRBOWQGGG-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000488165931 529257273 /nfs/dbraw/zinc/25/72/73/529257273.db2.gz TXMVZNRBOWQGGG-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000488165932 529182532 /nfs/dbraw/zinc/18/25/32/529182532.db2.gz TXMVZNRBOWQGGG-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488165933 529257325 /nfs/dbraw/zinc/25/73/25/529257325.db2.gz TXMVZNRBOWQGGG-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000488283962 534022219 /nfs/dbraw/zinc/02/22/19/534022219.db2.gz KODNQGQTNVOBLC-GRYCIOLGSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000488283963 533718243 /nfs/dbraw/zinc/71/82/43/533718243.db2.gz KODNQGQTNVOBLC-IJLUTSLNSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000488283964 533720108 /nfs/dbraw/zinc/72/01/08/533720108.db2.gz KODNQGQTNVOBLC-UTUOFQBUSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000488283965 229181213 /nfs/dbraw/zinc/18/12/13/229181213.db2.gz KODNQGQTNVOBLC-WOPDTQHZSA-N 1 0 221.369 3.541 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@H]1C ZINC000488286113 528786889 /nfs/dbraw/zinc/78/68/89/528786889.db2.gz OXUUFHZSRCJDHY-NXEZZACHSA-N 1 0 243.803 3.879 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1C[C@@H]1C ZINC000488286114 528785799 /nfs/dbraw/zinc/78/57/99/528785799.db2.gz OXUUFHZSRCJDHY-UWVGGRQHSA-N 1 0 243.803 3.879 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@@H]1C ZINC000488286115 528786416 /nfs/dbraw/zinc/78/64/16/528786416.db2.gz OXUUFHZSRCJDHY-VHSXEESVSA-N 1 0 243.803 3.879 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1C[C@H]1C ZINC000488286116 528787202 /nfs/dbraw/zinc/78/72/02/528787202.db2.gz OXUUFHZSRCJDHY-ZJUUUORDSA-N 1 0 243.803 3.879 20 0 BHADRO CC1(C)CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488286431 529009819 /nfs/dbraw/zinc/00/98/19/529009819.db2.gz AIQOGEKSZGRQOS-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)C(C)C ZINC000488286490 528768984 /nfs/dbraw/zinc/76/89/84/528768984.db2.gz AUHLAFNFIDNQEM-UHFFFAOYSA-N 1 0 234.318 3.537 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488288072 225361746 /nfs/dbraw/zinc/36/17/46/225361746.db2.gz DAFZZPQGHOBSNS-GMTAPVOTSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488288076 225361027 /nfs/dbraw/zinc/36/10/27/225361027.db2.gz DAFZZPQGHOBSNS-MXWKQRLJSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488288078 534039790 /nfs/dbraw/zinc/03/97/90/534039790.db2.gz DAFZZPQGHOBSNS-OUAUKWLOSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488288080 534041444 /nfs/dbraw/zinc/04/14/44/534041444.db2.gz DAFZZPQGHOBSNS-VWYCJHECSA-N 1 0 239.309 3.614 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H](C)c1cccc(OC)c1 ZINC000488288126 528685098 /nfs/dbraw/zinc/68/50/98/528685098.db2.gz DFRKVFQBKAWDDM-GUTXKFCHSA-N 1 0 247.382 3.734 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1cccc(OC)c1 ZINC000488288130 528685511 /nfs/dbraw/zinc/68/55/11/528685511.db2.gz DFRKVFQBKAWDDM-IPYPFGDCSA-N 1 0 247.382 3.734 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@H](C)c1cccc(OC)c1 ZINC000488288133 528685820 /nfs/dbraw/zinc/68/58/20/528685820.db2.gz DFRKVFQBKAWDDM-NFAWXSAZSA-N 1 0 247.382 3.734 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)c1cccc(OC)c1 ZINC000488288135 219872549 /nfs/dbraw/zinc/87/25/49/219872549.db2.gz DFRKVFQBKAWDDM-YDHLFZDLSA-N 1 0 247.382 3.734 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488288592 528407509 /nfs/dbraw/zinc/40/75/09/528407509.db2.gz CYCBWFAIHVCGTD-LLVKDONJSA-N 1 0 248.345 3.783 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488288598 528959183 /nfs/dbraw/zinc/95/91/83/528959183.db2.gz CYCBWFAIHVCGTD-NSHDSACASA-N 1 0 248.345 3.783 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488288628 225360989 /nfs/dbraw/zinc/36/09/89/225360989.db2.gz DTMCHDMALSXJLE-GRYCIOLGSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488288639 534139282 /nfs/dbraw/zinc/13/92/82/534139282.db2.gz DTMCHDMALSXJLE-IJLUTSLNSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488288642 534138810 /nfs/dbraw/zinc/13/88/10/534138810.db2.gz DTMCHDMALSXJLE-UTUOFQBUSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488288644 225361809 /nfs/dbraw/zinc/36/18/09/225361809.db2.gz DTMCHDMALSXJLE-WOPDTQHZSA-N 1 0 237.774 3.989 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@H]2C)cc1 ZINC000488288646 225361268 /nfs/dbraw/zinc/36/12/68/225361268.db2.gz UBIHJZZMBYREQV-BMFZPTHFSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@H]2C)cc1 ZINC000488288649 225361411 /nfs/dbraw/zinc/36/14/11/225361411.db2.gz UBIHJZZMBYREQV-BPUTZDHNSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]2C)cc1 ZINC000488288652 225361104 /nfs/dbraw/zinc/36/11/04/225361104.db2.gz UBIHJZZMBYREQV-IMJJTQAJSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@H]2C)cc1 ZINC000488288655 225361490 /nfs/dbraw/zinc/36/14/90/225361490.db2.gz UBIHJZZMBYREQV-KBMXLJTQSA-N 1 0 229.367 3.788 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000488291410 534017688 /nfs/dbraw/zinc/01/76/88/534017688.db2.gz XRAYOEPFHPDOPY-DOMZBBRYSA-N 1 0 245.341 3.571 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000488291411 533716771 /nfs/dbraw/zinc/71/67/71/533716771.db2.gz XRAYOEPFHPDOPY-IUODEOHRSA-N 1 0 245.341 3.571 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000488291412 225361246 /nfs/dbraw/zinc/36/12/46/225361246.db2.gz XRAYOEPFHPDOPY-SWLSCSKDSA-N 1 0 245.341 3.571 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000488291413 225360544 /nfs/dbraw/zinc/36/05/44/225360544.db2.gz XRAYOEPFHPDOPY-WFASDCNBSA-N 1 0 245.341 3.571 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000488291769 225363057 /nfs/dbraw/zinc/36/30/57/225363057.db2.gz IZYCMORBPDJJOL-GXSJLCMTSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000488291770 534018203 /nfs/dbraw/zinc/01/82/03/534018203.db2.gz IZYCMORBPDJJOL-KOLCDFICSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000488291771 533713858 /nfs/dbraw/zinc/71/38/58/533713858.db2.gz IZYCMORBPDJJOL-MWLCHTKSSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000488291772 225363459 /nfs/dbraw/zinc/36/34/59/225363459.db2.gz IZYCMORBPDJJOL-ONGXEEELSA-N 1 0 241.737 3.567 20 0 BHADRO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC(C)C ZINC000488292630 528768997 /nfs/dbraw/zinc/76/89/97/528768997.db2.gz KCSSQEPJGIXNDT-UHFFFAOYSA-N 1 0 248.345 3.785 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292716 225363584 /nfs/dbraw/zinc/36/35/84/225363584.db2.gz FIULOUFDIDTIFG-GHMZBOCLSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292718 225363573 /nfs/dbraw/zinc/36/35/73/225363573.db2.gz FIULOUFDIDTIFG-MNOVXSKESA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292720 225362685 /nfs/dbraw/zinc/36/26/85/225362685.db2.gz FIULOUFDIDTIFG-QWRGUYRKSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488292722 533804987 /nfs/dbraw/zinc/80/49/87/533804987.db2.gz FIULOUFDIDTIFG-WDEREUQCSA-N 1 0 246.329 3.537 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488292849 528887306 /nfs/dbraw/zinc/88/73/06/528887306.db2.gz ZDRLNEQTJZGEHG-LLVKDONJSA-N 1 0 248.345 3.927 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488292851 528047328 /nfs/dbraw/zinc/04/73/28/528047328.db2.gz ZDRLNEQTJZGEHG-NSHDSACASA-N 1 0 248.345 3.927 20 0 BHADRO CC(C)[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488294084 528937692 /nfs/dbraw/zinc/93/76/92/528937692.db2.gz GWGWQIQYRHJIDZ-UHFFFAOYSA-N 1 0 246.329 3.680 20 0 BHADRO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000488294130 529980661 /nfs/dbraw/zinc/98/06/61/529980661.db2.gz LNNVBQNEMUCOTA-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000488296700 527727901 /nfs/dbraw/zinc/72/79/01/527727901.db2.gz NKNHHQXTHMLKQM-INIZCTEOSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000488296701 527726352 /nfs/dbraw/zinc/72/63/52/527726352.db2.gz NKNHHQXTHMLKQM-MRXNPFEDSA-N 1 0 246.398 3.609 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488297914 534053219 /nfs/dbraw/zinc/05/32/19/534053219.db2.gz QHBYZMPAXUVJOI-MDZLAQPJSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488297916 534125699 /nfs/dbraw/zinc/12/56/99/534125699.db2.gz QHBYZMPAXUVJOI-NQBHXWOUSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488297919 534053375 /nfs/dbraw/zinc/05/33/75/534053375.db2.gz QHBYZMPAXUVJOI-NTZNESFSSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1C[C@H]1C 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ZINC000488317341 225372074 /nfs/dbraw/zinc/37/20/74/225372074.db2.gz UXAORXCNZNHEDV-STQMWFEESA-N 1 0 233.355 3.680 20 0 BHADRO CC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488317543 528254954 /nfs/dbraw/zinc/25/49/54/528254954.db2.gz JRYQOODLICQXCS-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488317689 528943943 /nfs/dbraw/zinc/94/39/43/528943943.db2.gz VSOKTIDFGHZCOT-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2C[C@@H]2C)cc1 ZINC000488319235 225371636 /nfs/dbraw/zinc/37/16/36/225371636.db2.gz BXEVVHNSVVJRTA-DZKIICNBSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H]2C[C@H]2C)cc1 ZINC000488319238 225370783 /nfs/dbraw/zinc/37/07/83/225370783.db2.gz BXEVVHNSVVJRTA-IJEWVQPXSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H]2C[C@@H]2C)cc1 ZINC000488319239 225371962 /nfs/dbraw/zinc/37/19/62/225371962.db2.gz BXEVVHNSVVJRTA-OFQRWUPVSA-N 1 0 231.383 3.514 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2C[C@H]2C)cc1 ZINC000488319241 225370545 /nfs/dbraw/zinc/37/05/45/225370545.db2.gz BXEVVHNSVVJRTA-YCPHGPKFSA-N 1 0 231.383 3.514 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488319433 534162377 /nfs/dbraw/zinc/16/23/77/534162377.db2.gz CNAFTLKYRNVAIC-LLVKDONJSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488319435 225371407 /nfs/dbraw/zinc/37/14/07/225371407.db2.gz CNAFTLKYRNVAIC-NSHDSACASA-N 1 0 246.329 3.681 20 0 BHADRO CCC[NH+](CCC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488321292 528060850 /nfs/dbraw/zinc/06/08/50/528060850.db2.gz ZEVNDWCBCNHNMZ-UHFFFAOYSA-N 1 0 248.345 3.929 20 0 BHADRO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC(C)(C)C ZINC000488322121 529980670 /nfs/dbraw/zinc/98/06/70/529980670.db2.gz GGWYGEAIGYZVCI-UHFFFAOYSA-N 1 0 248.345 3.785 20 0 BHADRO C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CCC1 ZINC000488324813 529980779 /nfs/dbraw/zinc/98/07/79/529980779.db2.gz VVBINFWTDOSHGD-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1C ZINC000488325549 225374016 /nfs/dbraw/zinc/37/40/16/225374016.db2.gz WRFLHPMVWCVXKC-DZKIICNBSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1C ZINC000488325550 225374075 /nfs/dbraw/zinc/37/40/75/225374075.db2.gz WRFLHPMVWCVXKC-FMKPAKJESA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1C ZINC000488325551 225372805 /nfs/dbraw/zinc/37/28/05/225372805.db2.gz WRFLHPMVWCVXKC-LZWOXQAQSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C ZINC000488325552 385748739 /nfs/dbraw/zinc/74/87/39/385748739.db2.gz WRFLHPMVWCVXKC-YCPHGPKFSA-N 1 0 229.367 3.788 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000488325776 533718174 /nfs/dbraw/zinc/71/81/74/533718174.db2.gz FPMYCALRVJIHAB-KYOSRNDESA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000488325778 534020365 /nfs/dbraw/zinc/02/03/65/534020365.db2.gz FPMYCALRVJIHAB-OSAQELSMSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000488325779 533718027 /nfs/dbraw/zinc/71/80/27/533718027.db2.gz FPMYCALRVJIHAB-UXIGCNINSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000488325781 534020690 /nfs/dbraw/zinc/02/06/90/534020690.db2.gz FPMYCALRVJIHAB-ZLDLUXBVSA-N 1 0 233.330 3.619 20 0 BHADRO CCCC[N@H+](CC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326166 528395310 /nfs/dbraw/zinc/39/53/10/528395310.db2.gz LAZDNQGMLOSACK-UHFFFAOYSA-N 1 0 248.345 3.929 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326479 225373238 /nfs/dbraw/zinc/37/32/38/225373238.db2.gz USHPAUJXDGGIMH-JTQLQIEISA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326481 225373472 /nfs/dbraw/zinc/37/34/72/225373472.db2.gz USHPAUJXDGGIMH-SNVBAGLBSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)[C@@H]1C ZINC000488329725 534036771 /nfs/dbraw/zinc/03/67/71/534036771.db2.gz GTWXBEHROSFGHL-GHMZBOCLSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488329726 534037308 /nfs/dbraw/zinc/03/73/08/534037308.db2.gz GTWXBEHROSFGHL-MNOVXSKESA-N 1 0 246.329 3.537 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488329727 225375580 /nfs/dbraw/zinc/37/55/80/225375580.db2.gz GTWXBEHROSFGHL-QWRGUYRKSA-N 1 0 246.329 3.537 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488329728 534233082 /nfs/dbraw/zinc/23/30/82/534233082.db2.gz GTWXBEHROSFGHL-WDEREUQCSA-N 1 0 246.329 3.537 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488331577 529876656 /nfs/dbraw/zinc/87/66/56/529876656.db2.gz MQGYFXIEVMORQZ-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488331678 225375353 /nfs/dbraw/zinc/37/53/53/225375353.db2.gz ACMXTFWWJMFOPJ-CABCVRRESA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488331679 225374435 /nfs/dbraw/zinc/37/44/35/225374435.db2.gz ACMXTFWWJMFOPJ-GJZGRUSLSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488331680 225374671 /nfs/dbraw/zinc/37/46/71/225374671.db2.gz ACMXTFWWJMFOPJ-HUUCEWRRSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488331681 225374819 /nfs/dbraw/zinc/37/48/19/225374819.db2.gz ACMXTFWWJMFOPJ-LSDHHAIUSA-N 1 0 249.423 3.615 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000488333976 534018619 /nfs/dbraw/zinc/01/86/19/534018619.db2.gz PYUINQYZUBYRMG-HACGYAERSA-N 1 0 241.378 3.794 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000488333979 534017862 /nfs/dbraw/zinc/01/78/62/534017862.db2.gz PYUINQYZUBYRMG-IFIJOSMWSA-N 1 0 241.378 3.794 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000488333980 533714483 /nfs/dbraw/zinc/71/44/83/533714483.db2.gz PYUINQYZUBYRMG-MRRJBJDNSA-N 1 0 241.378 3.794 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000488333981 533714325 /nfs/dbraw/zinc/71/43/25/533714325.db2.gz PYUINQYZUBYRMG-SUYBPPKGSA-N 1 0 241.378 3.794 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000488334165 529427365 /nfs/dbraw/zinc/42/73/65/529427365.db2.gz MQFVEEFSGMDDBC-CWRNSKLLSA-N 1 0 231.383 3.596 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488334167 529427552 /nfs/dbraw/zinc/42/75/52/529427552.db2.gz MQFVEEFSGMDDBC-FVQBIDKESA-N 1 0 231.383 3.596 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1C[C@@H]1C ZINC000488334169 529427447 /nfs/dbraw/zinc/42/74/47/529427447.db2.gz MQFVEEFSGMDDBC-NUEKZKHPSA-N 1 0 231.383 3.596 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488334170 529427660 /nfs/dbraw/zinc/42/76/60/529427660.db2.gz MQFVEEFSGMDDBC-VNQPRFMTSA-N 1 0 231.383 3.596 20 0 BHADRO CC(C)C1CC([NH2+]CCCNc2ccccc2)C1 ZINC000488336101 527627752 /nfs/dbraw/zinc/62/77/52/527627752.db2.gz ZEOIRPJNMZWEEJ-UHFFFAOYSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000488336561 534020657 /nfs/dbraw/zinc/02/06/57/534020657.db2.gz ZNCDNWROQFLRCO-HZSPNIEDSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000488336562 533715572 /nfs/dbraw/zinc/71/55/72/533715572.db2.gz ZNCDNWROQFLRCO-MCIONIFRSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000488336563 533716241 /nfs/dbraw/zinc/71/62/41/533716241.db2.gz ZNCDNWROQFLRCO-MGPQQGTHSA-N 1 0 233.355 3.853 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000488336564 534020425 /nfs/dbraw/zinc/02/04/25/534020425.db2.gz ZNCDNWROQFLRCO-RDBSUJKOSA-N 1 0 233.355 3.853 20 0 BHADRO CC[NH+](CC)Cc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000488338604 528197774 /nfs/dbraw/zinc/19/77/74/528197774.db2.gz VVAYJEOJPLTYMU-DZGCQCFKSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000488338606 528197511 /nfs/dbraw/zinc/19/75/11/528197511.db2.gz VVAYJEOJPLTYMU-HIFRSBDPSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000488338845 528197691 /nfs/dbraw/zinc/19/76/91/528197691.db2.gz VVAYJEOJPLTYMU-UKRRQHHQSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000488338847 528197942 /nfs/dbraw/zinc/19/79/42/528197942.db2.gz VVAYJEOJPLTYMU-ZFWWWQNUSA-N 1 0 246.398 3.596 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000488338850 533720182 /nfs/dbraw/zinc/72/01/82/533720182.db2.gz WRIMHCHAWLYUTR-KYOSRNDESA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000488338852 534020673 /nfs/dbraw/zinc/02/06/73/534020673.db2.gz WRIMHCHAWLYUTR-OSAQELSMSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000488338854 533718118 /nfs/dbraw/zinc/71/81/18/533718118.db2.gz WRIMHCHAWLYUTR-UXIGCNINSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000488338855 534020930 /nfs/dbraw/zinc/02/09/30/534020930.db2.gz WRIMHCHAWLYUTR-ZLDLUXBVSA-N 1 0 233.330 3.619 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488339815 528704774 /nfs/dbraw/zinc/70/47/74/528704774.db2.gz YAYOSXYGBRECAL-HNNXBMFYSA-N 1 0 246.329 3.537 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488339816 527805382 /nfs/dbraw/zinc/80/53/82/527805382.db2.gz YAYOSXYGBRECAL-OAHLLOKOSA-N 1 0 246.329 3.537 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488340619 529314461 /nfs/dbraw/zinc/31/44/61/529314461.db2.gz SGNLBDQUIVHEHV-LLVKDONJSA-N 1 0 248.345 3.785 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488340620 529650954 /nfs/dbraw/zinc/65/09/54/529650954.db2.gz SGNLBDQUIVHEHV-NSHDSACASA-N 1 0 248.345 3.785 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000488342264 225380657 /nfs/dbraw/zinc/38/06/57/225380657.db2.gz BBMQDULUKSFJPF-CLWVCHIJSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000488342265 225382310 /nfs/dbraw/zinc/38/23/10/225382310.db2.gz BBMQDULUKSFJPF-OCVGTWLNSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000488342266 225381972 /nfs/dbraw/zinc/38/19/72/225381972.db2.gz BBMQDULUKSFJPF-RRCSTGOVSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000488342267 225381283 /nfs/dbraw/zinc/38/12/83/225381283.db2.gz BBMQDULUKSFJPF-XOUADPBQSA-N 1 0 229.367 3.520 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@H]2C)c1 ZINC000488342624 225380956 /nfs/dbraw/zinc/38/09/56/225380956.db2.gz DTHVNPBVRLAJIU-BMFZPTHFSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@H]2C)c1 ZINC000488342625 225382023 /nfs/dbraw/zinc/38/20/23/225382023.db2.gz DTHVNPBVRLAJIU-BPUTZDHNSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]2C)c1 ZINC000488342626 225382436 /nfs/dbraw/zinc/38/24/36/225382436.db2.gz DTHVNPBVRLAJIU-IMJJTQAJSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@H]2C)c1 ZINC000488342627 225381215 /nfs/dbraw/zinc/38/12/15/225381215.db2.gz DTHVNPBVRLAJIU-KBMXLJTQSA-N 1 0 229.367 3.788 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1CCC2(CC2)CC1 ZINC000488346137 534000920 /nfs/dbraw/zinc/00/09/20/534000920.db2.gz KPZLNPPQNCKRBF-CYBMUJFWSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1CCC2(CC2)CC1 ZINC000488346138 533691694 /nfs/dbraw/zinc/69/16/94/533691694.db2.gz KPZLNPPQNCKRBF-ZDUSSCGKSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488347999 225381408 /nfs/dbraw/zinc/38/14/08/225381408.db2.gz ADWSJWSYJSXACA-GHMZBOCLSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348001 534228128 /nfs/dbraw/zinc/22/81/28/534228128.db2.gz ADWSJWSYJSXACA-PHIMTYICSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348003 533741329 /nfs/dbraw/zinc/74/13/29/533741329.db2.gz ADWSJWSYJSXACA-QWRGUYRKSA-N 1 0 246.329 3.680 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000488348059 225380821 /nfs/dbraw/zinc/38/08/21/225380821.db2.gz ASBJNSLBYGQUBD-MQYQWHSLSA-N 1 0 233.355 3.709 20 0 BHADRO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000488348060 225381090 /nfs/dbraw/zinc/38/10/90/225381090.db2.gz ASBJNSLBYGQUBD-RFGFWPKPSA-N 1 0 233.355 3.709 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000488348061 225381473 /nfs/dbraw/zinc/38/14/73/225381473.db2.gz ASBJNSLBYGQUBD-YIYPIFLZSA-N 1 0 233.355 3.709 20 0 BHADRO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000488348062 225380916 /nfs/dbraw/zinc/38/09/16/225380916.db2.gz ASBJNSLBYGQUBD-ZOBORPQBSA-N 1 0 233.355 3.709 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000488348622 225380946 /nfs/dbraw/zinc/38/09/46/225380946.db2.gz BBNROERICCQGOB-AAEUAGOBSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000488348625 533714696 /nfs/dbraw/zinc/71/46/96/533714696.db2.gz BBNROERICCQGOB-DGCLKSJQSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000488348627 225381166 /nfs/dbraw/zinc/38/11/66/225381166.db2.gz BBNROERICCQGOB-WCQYABFASA-N 1 0 229.323 3.521 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000488348629 534019357 /nfs/dbraw/zinc/01/93/57/534019357.db2.gz BBNROERICCQGOB-YPMHNXCESA-N 1 0 229.323 3.521 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488348714 534086008 /nfs/dbraw/zinc/08/60/08/534086008.db2.gz BLXMRYXMTSPKJI-MDZLAQPJSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488348715 534128277 /nfs/dbraw/zinc/12/82/77/534128277.db2.gz BLXMRYXMTSPKJI-NQBHXWOUSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488348716 534085816 /nfs/dbraw/zinc/08/58/16/534085816.db2.gz BLXMRYXMTSPKJI-NTZNESFSSA-N 1 0 237.774 3.989 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488348718 534127207 /nfs/dbraw/zinc/12/72/07/534127207.db2.gz BLXMRYXMTSPKJI-WZRBSPASSA-N 1 0 237.774 3.989 20 0 BHADRO CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CCC1 ZINC000488349420 528768609 /nfs/dbraw/zinc/76/86/09/528768609.db2.gz OVLROICUDODQKP-UHFFFAOYSA-N 1 0 246.329 3.681 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000488349993 534021483 /nfs/dbraw/zinc/02/14/83/534021483.db2.gz PCAIAWZPMWIQPR-KGYLQXTDSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000488349994 533718880 /nfs/dbraw/zinc/71/88/80/533718880.db2.gz PCAIAWZPMWIQPR-RAIGVLPGSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000488349995 533717970 /nfs/dbraw/zinc/71/79/70/533717970.db2.gz PCAIAWZPMWIQPR-RTXFEEFZSA-N 1 0 221.369 3.541 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000488349996 225383499 /nfs/dbraw/zinc/38/34/99/225383499.db2.gz PCAIAWZPMWIQPR-WXHSDQCUSA-N 1 0 221.369 3.541 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC3)CC2)o1 ZINC000488350269 225383460 /nfs/dbraw/zinc/38/34/60/225383460.db2.gz GFUPKAHUGKGYNX-GFCCVEGCSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC3)CC2)o1 ZINC000488350271 225383842 /nfs/dbraw/zinc/38/38/42/225383842.db2.gz GFUPKAHUGKGYNX-LBPRGKRZSA-N 1 0 233.355 3.961 20 0 BHADRO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CC1 ZINC000488355928 528768052 /nfs/dbraw/zinc/76/80/52/528768052.db2.gz XZLHTZYMFUPMSY-UHFFFAOYSA-N 1 0 246.329 3.539 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@H]2C)s1 ZINC000488357231 225385669 /nfs/dbraw/zinc/38/56/69/225385669.db2.gz VFIZPLLUDKBXMY-DRZSPHRISA-N 1 0 235.396 3.849 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@H]2C)s1 ZINC000488357232 225385580 /nfs/dbraw/zinc/38/55/80/225385580.db2.gz VFIZPLLUDKBXMY-RTXFEEFZSA-N 1 0 235.396 3.849 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]2C)s1 ZINC000488357233 225385796 /nfs/dbraw/zinc/38/57/96/225385796.db2.gz VFIZPLLUDKBXMY-UHTWSYAYSA-N 1 0 235.396 3.849 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@H]2C)s1 ZINC000488357234 225385187 /nfs/dbraw/zinc/38/51/87/225385187.db2.gz VFIZPLLUDKBXMY-WXHSDQCUSA-N 1 0 235.396 3.849 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488357566 225385981 /nfs/dbraw/zinc/38/59/81/225385981.db2.gz VMKXYAILFRQDDM-CKYFFXLPSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488357567 225385119 /nfs/dbraw/zinc/38/51/19/225385119.db2.gz VMKXYAILFRQDDM-FOGDFJRCSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000488357568 534054846 /nfs/dbraw/zinc/05/48/46/534054846.db2.gz VMKXYAILFRQDDM-JFGNBEQYSA-N 1 0 239.309 3.614 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000488357569 534054938 /nfs/dbraw/zinc/05/49/38/534054938.db2.gz VMKXYAILFRQDDM-SCVCMEIPSA-N 1 0 239.309 3.614 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488357956 529327122 /nfs/dbraw/zinc/32/71/22/529327122.db2.gz QMPVXXDZMCPBFJ-LLVKDONJSA-N 1 0 246.329 3.539 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488357959 529238777 /nfs/dbraw/zinc/23/87/77/529238777.db2.gz QMPVXXDZMCPBFJ-NSHDSACASA-N 1 0 246.329 3.539 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000488358571 533716876 /nfs/dbraw/zinc/71/68/76/533716876.db2.gz RINMHBMOVBVRMU-CHWSQXEVSA-N 1 0 245.322 3.531 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000488358572 534019560 /nfs/dbraw/zinc/01/95/60/534019560.db2.gz RINMHBMOVBVRMU-OLZOCXBDSA-N 1 0 245.322 3.531 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000488358573 225388129 /nfs/dbraw/zinc/38/81/29/225388129.db2.gz RINMHBMOVBVRMU-QWHCGFSZSA-N 1 0 245.322 3.531 20 0 BHADRO C[C@H]1C[C@H]1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000488358574 225387609 /nfs/dbraw/zinc/38/76/09/225387609.db2.gz RINMHBMOVBVRMU-STQMWFEESA-N 1 0 245.322 3.531 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H]1C[C@@H]1C)C1CC1 ZINC000488360180 529238263 /nfs/dbraw/zinc/23/82/63/529238263.db2.gz WIROXXUPYBBJMP-CYDGBPFRSA-N 1 0 209.377 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@H]1C[C@H]1C)C1CC1 ZINC000488360181 529238046 /nfs/dbraw/zinc/23/80/46/529238046.db2.gz WIROXXUPYBBJMP-QNWHQSFQSA-N 1 0 209.377 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H]1C[C@H]1C)C1CC1 ZINC000488360182 529238223 /nfs/dbraw/zinc/23/82/23/529238223.db2.gz WIROXXUPYBBJMP-RNJOBUHISA-N 1 0 209.377 3.541 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@H]1C[C@@H]1C)C1CC1 ZINC000488360183 529238413 /nfs/dbraw/zinc/23/84/13/529238413.db2.gz WIROXXUPYBBJMP-ZDEQEGDKSA-N 1 0 209.377 3.541 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000488361404 225387895 /nfs/dbraw/zinc/38/78/95/225387895.db2.gz YGJVVAKFCDEZOH-CLWVCHIJSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000488361405 533722531 /nfs/dbraw/zinc/72/25/31/533722531.db2.gz YGJVVAKFCDEZOH-OCVGTWLNSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000488361407 533722263 /nfs/dbraw/zinc/72/22/63/533722263.db2.gz YGJVVAKFCDEZOH-RRCSTGOVSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000488361409 225387348 /nfs/dbraw/zinc/38/73/48/225387348.db2.gz YGJVVAKFCDEZOH-XOUADPBQSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488379193 533729279 /nfs/dbraw/zinc/72/92/79/533729279.db2.gz LFSQITQNDDTXLT-DZUCGIPZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488379194 533729266 /nfs/dbraw/zinc/72/92/66/533729266.db2.gz LFSQITQNDDTXLT-MWQQHZPXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000488379195 533729257 /nfs/dbraw/zinc/72/92/57/533729257.db2.gz LFSQITQNDDTXLT-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000488379196 533727581 /nfs/dbraw/zinc/72/75/81/533727581.db2.gz LFSQITQNDDTXLT-XLNGHYISSA-N 1 0 243.394 3.958 20 0 BHADRO COc1cc(C[NH2+]C2CC(C(C)C)C2)ccc1C ZINC000488408760 533869967 /nfs/dbraw/zinc/86/99/67/533869967.db2.gz HVXYSUVAYGHKIN-UHFFFAOYSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000488408801 533640601 /nfs/dbraw/zinc/64/06/01/533640601.db2.gz IBTVORYRAATWGF-UHFFFAOYSA-N 1 0 247.382 3.528 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000488409159 527628350 /nfs/dbraw/zinc/62/83/50/527628350.db2.gz IQNRKMDMJLFXTL-PPUFBPAQSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000488409160 527627985 /nfs/dbraw/zinc/62/79/85/527627985.db2.gz IQNRKMDMJLFXTL-ZEPSKSRBSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000488410131 527628115 /nfs/dbraw/zinc/62/81/15/527628115.db2.gz KDUNOZCYVSGVET-LDZOIKDWSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000488410132 527629488 /nfs/dbraw/zinc/62/94/88/527629488.db2.gz KDUNOZCYVSGVET-PXCJXSSVSA-N 1 0 247.357 3.837 20 0 BHADRO CCCCOCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000488410234 528588880 /nfs/dbraw/zinc/58/88/80/528588880.db2.gz JHHBDTVCWGNOCX-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000488411204 225393011 /nfs/dbraw/zinc/39/30/11/225393011.db2.gz AYVKBDVZQTYKCO-GXSJLCMTSA-N 1 0 247.313 3.626 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000488411205 225392968 /nfs/dbraw/zinc/39/29/68/225392968.db2.gz AYVKBDVZQTYKCO-KOLCDFICSA-N 1 0 247.313 3.626 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@H]1C[C@H]1C ZINC000488411206 225393172 /nfs/dbraw/zinc/39/31/72/225393172.db2.gz AYVKBDVZQTYKCO-MWLCHTKSSA-N 1 0 247.313 3.626 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000488411207 225392446 /nfs/dbraw/zinc/39/24/46/225392446.db2.gz AYVKBDVZQTYKCO-ONGXEEELSA-N 1 0 247.313 3.626 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000488411801 534029708 /nfs/dbraw/zinc/02/97/08/534029708.db2.gz CCLZQISBZRQWQD-NEPJUHHUSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000488411802 225389707 /nfs/dbraw/zinc/38/97/07/225389707.db2.gz CCLZQISBZRQWQD-NWDGAFQWSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000488411803 225389345 /nfs/dbraw/zinc/38/93/45/225389345.db2.gz CCLZQISBZRQWQD-RYUDHWBXSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000488411804 533726939 /nfs/dbraw/zinc/72/69/39/533726939.db2.gz CCLZQISBZRQWQD-VXGBXAGGSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCc1cccc2ccccc21 ZINC000488412210 225392574 /nfs/dbraw/zinc/39/25/74/225392574.db2.gz BBQRXKIPJJIRJB-BBRMVZONSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCc1cccc2ccccc21 ZINC000488412231 534028740 /nfs/dbraw/zinc/02/87/40/534028740.db2.gz BBQRXKIPJJIRJB-CJNGLKHVSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCc1cccc2ccccc21 ZINC000488412232 533726834 /nfs/dbraw/zinc/72/68/34/533726834.db2.gz BBQRXKIPJJIRJB-CZUORRHYSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCc1cccc2ccccc21 ZINC000488412233 385771005 /nfs/dbraw/zinc/77/10/05/385771005.db2.gz BBQRXKIPJJIRJB-XJKSGUPXSA-N 1 0 239.362 3.628 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H]1C[C@@H]1C ZINC000488414639 528760893 /nfs/dbraw/zinc/76/08/93/528760893.db2.gz HEXSQLGOTZAIAF-GUTXKFCHSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H]1C[C@H]1C ZINC000488414640 528760573 /nfs/dbraw/zinc/76/05/73/528760573.db2.gz HEXSQLGOTZAIAF-IPYPFGDCSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H]1C[C@H]1C ZINC000488414641 528760744 /nfs/dbraw/zinc/76/07/44/528760744.db2.gz HEXSQLGOTZAIAF-NFAWXSAZSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488414642 528761335 /nfs/dbraw/zinc/76/13/35/528761335.db2.gz HEXSQLGOTZAIAF-YDHLFZDLSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)CS1 ZINC000488416648 527883794 /nfs/dbraw/zinc/88/37/94/527883794.db2.gz KXGFANRFLQGEKT-AEGPPILISA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)CS1 ZINC000488416650 527873728 /nfs/dbraw/zinc/87/37/28/527873728.db2.gz KXGFANRFLQGEKT-BPLDGKMQSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)CS1 ZINC000488416651 528767455 /nfs/dbraw/zinc/76/74/55/528767455.db2.gz KXGFANRFLQGEKT-CFVMTHIKSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)CS1 ZINC000488416654 527873511 /nfs/dbraw/zinc/87/35/11/527873511.db2.gz KXGFANRFLQGEKT-NWANDNLSSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)CS1 ZINC000488416655 528787156 /nfs/dbraw/zinc/78/71/56/528787156.db2.gz KXGFANRFLQGEKT-QEJZJMRPSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)CS1 ZINC000488416657 528786972 /nfs/dbraw/zinc/78/69/72/528786972.db2.gz KXGFANRFLQGEKT-SNPRPXQTSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)CS1 ZINC000488416659 527884408 /nfs/dbraw/zinc/88/44/08/527884408.db2.gz KXGFANRFLQGEKT-VHDGCEQUSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)CS1 ZINC000488416660 528767002 /nfs/dbraw/zinc/76/70/02/528767002.db2.gz KXGFANRFLQGEKT-YUELXQCFSA-N 1 0 249.423 3.867 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000488418185 385773876 /nfs/dbraw/zinc/77/38/76/385773876.db2.gz XWMJTYNTNHLNQR-FHERZECASA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000488418265 385773907 /nfs/dbraw/zinc/77/39/07/385773907.db2.gz XWMJTYNTNHLNQR-QQFBHYJXSA-N 1 0 243.394 3.741 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000488419283 532964042 /nfs/dbraw/zinc/96/40/42/532964042.db2.gz ORBQOBXWMLATHA-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000488419285 532967832 /nfs/dbraw/zinc/96/78/32/532967832.db2.gz ORBQOBXWMLATHA-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC000488419416 527628050 /nfs/dbraw/zinc/62/80/50/527628050.db2.gz KAIAWLCEQDJVBO-UHFFFAOYSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000488422420 533728063 /nfs/dbraw/zinc/72/80/63/533728063.db2.gz PFTXFEFYYIDFQG-DAXOMENPSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000488422421 225394237 /nfs/dbraw/zinc/39/42/37/225394237.db2.gz PFTXFEFYYIDFQG-KCXAZCMYSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000488422422 225394588 /nfs/dbraw/zinc/39/45/88/225394588.db2.gz PFTXFEFYYIDFQG-UHOFOFEASA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000488422537 533728828 /nfs/dbraw/zinc/72/88/28/533728828.db2.gz PFTXFEFYYIDFQG-WQVCFCJDSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCc1csc2ccccc12 ZINC000488423196 225394536 /nfs/dbraw/zinc/39/45/36/225394536.db2.gz VZQDANOHIBNZNV-AAEUAGOBSA-N 1 0 245.391 3.689 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCc1csc2ccccc12 ZINC000488423198 533726539 /nfs/dbraw/zinc/72/65/39/533726539.db2.gz VZQDANOHIBNZNV-DGCLKSJQSA-N 1 0 245.391 3.689 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCc1csc2ccccc12 ZINC000488423200 225394016 /nfs/dbraw/zinc/39/40/16/225394016.db2.gz VZQDANOHIBNZNV-WCQYABFASA-N 1 0 245.391 3.689 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCc1csc2ccccc12 ZINC000488423201 534029290 /nfs/dbraw/zinc/02/92/90/534029290.db2.gz VZQDANOHIBNZNV-YPMHNXCESA-N 1 0 245.391 3.689 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000488423536 529681546 /nfs/dbraw/zinc/68/15/46/529681546.db2.gz BDHMIIHDBPDHRJ-GRTSSRMGSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000488423538 529677185 /nfs/dbraw/zinc/67/71/85/529677185.db2.gz BDHMIIHDBPDHRJ-LRVUVFPRSA-N 1 0 246.398 3.729 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000488423833 533726130 /nfs/dbraw/zinc/72/61/30/533726130.db2.gz WWQUCTHBZIAIJR-DDHJBXDOSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000488423834 533727221 /nfs/dbraw/zinc/72/72/21/533727221.db2.gz WWQUCTHBZIAIJR-KKOKHZNYSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000488423836 533726919 /nfs/dbraw/zinc/72/69/19/533726919.db2.gz WWQUCTHBZIAIJR-KXNHARMFSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000488423838 533727382 /nfs/dbraw/zinc/72/73/82/533727382.db2.gz WWQUCTHBZIAIJR-WRWGMCAJSA-N 1 0 249.320 3.601 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000488424116 529417876 /nfs/dbraw/zinc/41/78/76/529417876.db2.gz CHKPMUVWJGSVCJ-BFHYXJOUSA-N 1 0 249.423 3.803 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000488424246 529417588 /nfs/dbraw/zinc/41/75/88/529417588.db2.gz CHKPMUVWJGSVCJ-HZSPNIEDSA-N 1 0 249.423 3.803 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488424248 529417535 /nfs/dbraw/zinc/41/75/35/529417535.db2.gz CHKPMUVWJGSVCJ-MELADBBJSA-N 1 0 249.423 3.803 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[C@H]1C ZINC000488424250 529417590 /nfs/dbraw/zinc/41/75/90/529417590.db2.gz CHKPMUVWJGSVCJ-MGPQQGTHSA-N 1 0 249.423 3.803 20 0 BHADRO Cc1ccc(CC[NH2+]C2CC(C(C)C)C2)cc1 ZINC000488424419 533804444 /nfs/dbraw/zinc/80/44/44/533804444.db2.gz RTLKIFMRBJKQPF-UHFFFAOYSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)cc2c1C ZINC000488425629 533621162 /nfs/dbraw/zinc/62/11/62/533621162.db2.gz QTYMFOOBVUFBNP-HZMBPMFUSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C[C@H]3C[C@@H]3C)cc2c1C ZINC000488425631 533622283 /nfs/dbraw/zinc/62/22/83/533622283.db2.gz QTYMFOOBVUFBNP-IINYFYTJSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C[C@H]3C[C@H]3C)cc2c1C ZINC000488425633 533621691 /nfs/dbraw/zinc/62/16/91/533621691.db2.gz QTYMFOOBVUFBNP-QMTHXVAHSA-N 1 0 242.366 3.530 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]C[C@@H]3C[C@H]3C)cc2c1C ZINC000488425636 533621349 /nfs/dbraw/zinc/62/13/49/533621349.db2.gz QTYMFOOBVUFBNP-YGRLFVJLSA-N 1 0 242.366 3.530 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CS1 ZINC000488425906 526681494 /nfs/dbraw/zinc/68/14/94/526681494.db2.gz CEIFGQIOHLZHCK-KBPBESRZSA-N 1 0 249.423 3.696 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CS1 ZINC000488425907 526680056 /nfs/dbraw/zinc/68/00/56/526680056.db2.gz CEIFGQIOHLZHCK-KGLIPLIRSA-N 1 0 249.423 3.696 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2)CS1 ZINC000488425908 526738530 /nfs/dbraw/zinc/73/85/30/526738530.db2.gz CEIFGQIOHLZHCK-UONOGXRCSA-N 1 0 249.423 3.696 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CS1 ZINC000488425909 526737246 /nfs/dbraw/zinc/73/72/46/526737246.db2.gz CEIFGQIOHLZHCK-ZIAGYGMSSA-N 1 0 249.423 3.696 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c(OC(C)C)c1 ZINC000488429288 534068683 /nfs/dbraw/zinc/06/86/83/534068683.db2.gz DTURXORZJIPLEL-DZGCQCFKSA-N 1 0 247.382 3.528 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c(OC(C)C)c1 ZINC000488429289 534063864 /nfs/dbraw/zinc/06/38/64/534063864.db2.gz DTURXORZJIPLEL-HIFRSBDPSA-N 1 0 247.382 3.528 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c(OC(C)C)c1 ZINC000488429291 534068662 /nfs/dbraw/zinc/06/86/62/534068662.db2.gz DTURXORZJIPLEL-UKRRQHHQSA-N 1 0 247.382 3.528 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c(OC(C)C)c1 ZINC000488429292 534063239 /nfs/dbraw/zinc/06/32/39/534063239.db2.gz DTURXORZJIPLEL-ZFWWWQNUSA-N 1 0 247.382 3.528 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000488429860 528618003 /nfs/dbraw/zinc/61/80/03/528618003.db2.gz FKUJXZVKPSAQFR-DZGCQCFKSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000488429862 528617657 /nfs/dbraw/zinc/61/76/57/528617657.db2.gz FKUJXZVKPSAQFR-HIFRSBDPSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+]C[C@H]1C[C@H]1C ZINC000488429864 528617305 /nfs/dbraw/zinc/61/73/05/528617305.db2.gz FKUJXZVKPSAQFR-UKRRQHHQSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000488429866 528618088 /nfs/dbraw/zinc/61/80/88/528618088.db2.gz FKUJXZVKPSAQFR-ZFWWWQNUSA-N 1 0 247.382 3.529 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(C)C)C1)c1ccncc1 ZINC000488432588 219873985 /nfs/dbraw/zinc/87/39/85/219873985.db2.gz LWOIHGAWKPNLSL-NRXISQOPSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccncc1 ZINC000488432589 219874253 /nfs/dbraw/zinc/87/42/53/219874253.db2.gz LWOIHGAWKPNLSL-YMAMQOFZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000488433482 527627957 /nfs/dbraw/zinc/62/79/57/527627957.db2.gz RKZUWTSLWDNJAW-GRTSSRMGSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000488433483 527628660 /nfs/dbraw/zinc/62/86/60/527628660.db2.gz RKZUWTSLWDNJAW-LRVUVFPRSA-N 1 0 249.373 3.781 20 0 BHADRO CC[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccncc1 ZINC000488433683 529584196 /nfs/dbraw/zinc/58/41/96/529584196.db2.gz NUUAMQFWCVPHIY-HNNXBMFYSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccncc1 ZINC000488433688 385780562 /nfs/dbraw/zinc/78/05/62/385780562.db2.gz NUUAMQFWCVPHIY-OAHLLOKOSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000488434105 225397656 /nfs/dbraw/zinc/39/76/56/225397656.db2.gz OMHDXNCBRBQMSA-KBPBESRZSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000488434106 225397984 /nfs/dbraw/zinc/39/79/84/225397984.db2.gz OMHDXNCBRBQMSA-KGLIPLIRSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000488434107 225398015 /nfs/dbraw/zinc/39/80/15/225398015.db2.gz OMHDXNCBRBQMSA-UONOGXRCSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000488434108 225397034 /nfs/dbraw/zinc/39/70/34/225397034.db2.gz OMHDXNCBRBQMSA-ZIAGYGMSSA-N 1 0 231.383 3.518 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000488434942 534029132 /nfs/dbraw/zinc/02/91/32/534029132.db2.gz UKVMXYNIMSWERS-NEPJUHHUSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000488434943 225397099 /nfs/dbraw/zinc/39/70/99/225397099.db2.gz UKVMXYNIMSWERS-NWDGAFQWSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000488434944 225397308 /nfs/dbraw/zinc/39/73/08/225397308.db2.gz UKVMXYNIMSWERS-RYUDHWBXSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000488434945 533725993 /nfs/dbraw/zinc/72/59/93/533725993.db2.gz UKVMXYNIMSWERS-VXGBXAGGSA-N 1 0 249.785 3.617 20 0 BHADRO CC(C)C1CC([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000488436149 527629576 /nfs/dbraw/zinc/62/95/76/527629576.db2.gz XEWIVMZISOAZRY-GPANFISMSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000488436151 527627885 /nfs/dbraw/zinc/62/78/85/527627885.db2.gz XEWIVMZISOAZRY-UYSNPLJNSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000488437003 533726866 /nfs/dbraw/zinc/72/68/66/533726866.db2.gz CXQGAGKXZCFTDO-GDBMZVCRSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000488437004 225397290 /nfs/dbraw/zinc/39/72/90/225397290.db2.gz CXQGAGKXZCFTDO-GOEBONIOSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000488437005 219874213 /nfs/dbraw/zinc/87/42/13/219874213.db2.gz CXQGAGKXZCFTDO-HOCLYGCPSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000488437006 385784563 /nfs/dbraw/zinc/78/45/63/385784563.db2.gz CXQGAGKXZCFTDO-ZBFHGGJFSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000488437627 534029695 /nfs/dbraw/zinc/02/96/95/534029695.db2.gz ZPHQTORNFZJPAG-NEPJUHHUSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000488437628 225398569 /nfs/dbraw/zinc/39/85/69/225398569.db2.gz ZPHQTORNFZJPAG-NWDGAFQWSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000488437629 225399016 /nfs/dbraw/zinc/39/90/16/225399016.db2.gz ZPHQTORNFZJPAG-RYUDHWBXSA-N 1 0 249.785 3.617 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000488437630 533725835 /nfs/dbraw/zinc/72/58/35/533725835.db2.gz ZPHQTORNFZJPAG-VXGBXAGGSA-N 1 0 249.785 3.617 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c1 ZINC000488440798 534716643 /nfs/dbraw/zinc/71/66/43/534716643.db2.gz QSBGITAKJNTNSZ-CABCVRRESA-N 1 0 249.423 3.615 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000488440799 225399022 /nfs/dbraw/zinc/39/90/22/225399022.db2.gz QSBGITAKJNTNSZ-GJZGRUSLSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000488440800 534716905 /nfs/dbraw/zinc/71/69/05/534716905.db2.gz QSBGITAKJNTNSZ-HUUCEWRRSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c1 ZINC000488440801 225399604 /nfs/dbraw/zinc/39/96/04/225399604.db2.gz QSBGITAKJNTNSZ-LSDHHAIUSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000488441251 534633029 /nfs/dbraw/zinc/63/30/29/534633029.db2.gz RLCWBNXLPIOFAN-KBPBESRZSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000488441253 534633397 /nfs/dbraw/zinc/63/33/97/534633397.db2.gz RLCWBNXLPIOFAN-KGLIPLIRSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000488441254 534633400 /nfs/dbraw/zinc/63/34/00/534633400.db2.gz RLCWBNXLPIOFAN-UONOGXRCSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000488441255 534633771 /nfs/dbraw/zinc/63/37/71/534633771.db2.gz RLCWBNXLPIOFAN-ZIAGYGMSSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000488442623 225399475 /nfs/dbraw/zinc/39/94/75/225399475.db2.gz UIQINNSHOLTBCC-KBPBESRZSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]C[C@@H]1C[C@H]1C ZINC000488442624 225399292 /nfs/dbraw/zinc/39/92/92/225399292.db2.gz UIQINNSHOLTBCC-KGLIPLIRSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]C[C@H]1C[C@@H]1C ZINC000488442626 225399025 /nfs/dbraw/zinc/39/90/25/225399025.db2.gz UIQINNSHOLTBCC-UONOGXRCSA-N 1 0 231.383 3.518 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]C[C@H]1C[C@H]1C ZINC000488442627 225399279 /nfs/dbraw/zinc/39/92/79/225399279.db2.gz UIQINNSHOLTBCC-ZIAGYGMSSA-N 1 0 231.383 3.518 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488442675 385790114 /nfs/dbraw/zinc/79/01/14/385790114.db2.gz UMSDOTPVMBWVNU-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO Cc1cc(C)[nH+]c(NC2CCC3(CC3)CC2)c1 ZINC000488443183 534140121 /nfs/dbraw/zinc/14/01/21/534140121.db2.gz BFMGGCXVBZCSEQ-UHFFFAOYSA-N 1 0 230.355 3.833 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488443256 219874192 /nfs/dbraw/zinc/87/41/92/219874192.db2.gz UMSDOTPVMBWVNU-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000488443629 528243645 /nfs/dbraw/zinc/24/36/45/528243645.db2.gz WFBZPJYJHOFVRN-IPYPFGDCSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000488443630 528242697 /nfs/dbraw/zinc/24/26/97/528242697.db2.gz WFBZPJYJHOFVRN-KCQAQPDRSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000488443631 388179486 /nfs/dbraw/zinc/17/94/86/388179486.db2.gz WFBZPJYJHOFVRN-VNHYZAJKSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000488443632 388179777 /nfs/dbraw/zinc/17/97/77/388179777.db2.gz WFBZPJYJHOFVRN-YDHLFZDLSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000488444904 388179597 /nfs/dbraw/zinc/17/95/97/388179597.db2.gz XJNFQJYBIOZIFQ-ORHYLEIMSA-N 1 0 247.407 3.858 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CSc3ccccc32)C1 ZINC000488444906 388179474 /nfs/dbraw/zinc/17/94/74/388179474.db2.gz XJNFQJYBIOZIFQ-YIZWMMSDSA-N 1 0 247.407 3.858 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000488446162 388179441 /nfs/dbraw/zinc/17/94/41/388179441.db2.gz JUHPECORYCYXHI-AWEZNQCLSA-N 1 0 245.366 3.969 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000488446165 388179389 /nfs/dbraw/zinc/17/93/89/388179389.db2.gz JUHPECORYCYXHI-CQSZACIVSA-N 1 0 245.366 3.969 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCc1ccc2ccccc2c1 ZINC000488446878 388179514 /nfs/dbraw/zinc/17/95/14/388179514.db2.gz YMBRWVBPPYGOFH-CXAGYDPISA-N 1 0 239.362 3.628 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCc1ccc2ccccc2c1 ZINC000488446879 388179263 /nfs/dbraw/zinc/17/92/63/388179263.db2.gz YMBRWVBPPYGOFH-DYVFJYSZSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCc1ccc2ccccc2c1 ZINC000488446880 388179375 /nfs/dbraw/zinc/17/93/75/388179375.db2.gz YMBRWVBPPYGOFH-GUYCJALGSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccc2ccccc2c1 ZINC000488446881 388179408 /nfs/dbraw/zinc/17/94/08/388179408.db2.gz YMBRWVBPPYGOFH-SUMWQHHRSA-N 1 0 239.362 3.628 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1CCC2(CC2)CC1 ZINC000488447159 388179450 /nfs/dbraw/zinc/17/94/50/388179450.db2.gz ZLZGJSJKVCRXLT-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1CCC2(CC2)CC1 ZINC000488447160 534255979 /nfs/dbraw/zinc/25/59/79/534255979.db2.gz ZLZGJSJKVCRXLT-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]C[C@H]1C[C@@H]1C ZINC000488448145 388179703 /nfs/dbraw/zinc/17/97/03/388179703.db2.gz YWWSGSGPXNIJBM-DZGCQCFKSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]C[C@@H]1C[C@H]1C ZINC000488448146 388179496 /nfs/dbraw/zinc/17/94/96/388179496.db2.gz YWWSGSGPXNIJBM-HIFRSBDPSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]C[C@H]1C[C@H]1C ZINC000488448147 388179707 /nfs/dbraw/zinc/17/97/07/388179707.db2.gz YWWSGSGPXNIJBM-UKRRQHHQSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488448148 385790967 /nfs/dbraw/zinc/79/09/67/385790967.db2.gz YWWSGSGPXNIJBM-ZFWWWQNUSA-N 1 0 231.383 3.562 20 0 BHADRO COc1cc(C)ccc1C[NH2+]C1CC(C(C)C)C1 ZINC000488449531 388180753 /nfs/dbraw/zinc/18/07/53/388180753.db2.gz OAZAHJSUUKCREK-UHFFFAOYSA-N 1 0 247.382 3.528 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000488450046 533725928 /nfs/dbraw/zinc/72/59/28/533725928.db2.gz QQSHRNZBJSNZJA-DDHJBXDOSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000488450047 388180508 /nfs/dbraw/zinc/18/05/08/388180508.db2.gz QQSHRNZBJSNZJA-KKOKHZNYSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000488450048 388180396 /nfs/dbraw/zinc/18/03/96/388180396.db2.gz QQSHRNZBJSNZJA-KXNHARMFSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000488450049 388180244 /nfs/dbraw/zinc/18/02/44/388180244.db2.gz QQSHRNZBJSNZJA-WRWGMCAJSA-N 1 0 249.320 3.601 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)cc1 ZINC000488450138 225401442 /nfs/dbraw/zinc/40/14/42/225401442.db2.gz RHJJBJYDHFFUSF-CABCVRRESA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)cc1 ZINC000488450140 388180405 /nfs/dbraw/zinc/18/04/05/388180405.db2.gz RHJJBJYDHFFUSF-GJZGRUSLSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)cc1 ZINC000488450141 388180399 /nfs/dbraw/zinc/18/03/99/388180399.db2.gz RHJJBJYDHFFUSF-HUUCEWRRSA-N 1 0 249.423 3.615 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)cc1 ZINC000488450142 388180467 /nfs/dbraw/zinc/18/04/67/388180467.db2.gz RHJJBJYDHFFUSF-LSDHHAIUSA-N 1 0 249.423 3.615 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000488451015 388180717 /nfs/dbraw/zinc/18/07/17/388180717.db2.gz RKCHQPFYHXEYOY-KBPBESRZSA-N 1 0 229.367 3.702 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000488451016 388180466 /nfs/dbraw/zinc/18/04/66/388180466.db2.gz RKCHQPFYHXEYOY-KGLIPLIRSA-N 1 0 229.367 3.702 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000488451017 388180611 /nfs/dbraw/zinc/18/06/11/388180611.db2.gz RKCHQPFYHXEYOY-UONOGXRCSA-N 1 0 229.367 3.702 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000488451018 388180185 /nfs/dbraw/zinc/18/01/85/388180185.db2.gz RKCHQPFYHXEYOY-ZIAGYGMSSA-N 1 0 229.367 3.702 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000488453668 388180048 /nfs/dbraw/zinc/18/00/48/388180048.db2.gz XAZIZHMRMZFTCT-CHWSQXEVSA-N 1 0 247.407 3.557 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000488453670 388180330 /nfs/dbraw/zinc/18/03/30/388180330.db2.gz XAZIZHMRMZFTCT-OLZOCXBDSA-N 1 0 247.407 3.557 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000488453672 388180383 /nfs/dbraw/zinc/18/03/83/388180383.db2.gz XAZIZHMRMZFTCT-QWHCGFSZSA-N 1 0 247.407 3.557 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000488453673 388180353 /nfs/dbraw/zinc/18/03/53/388180353.db2.gz XAZIZHMRMZFTCT-STQMWFEESA-N 1 0 247.407 3.557 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000488453931 388180198 /nfs/dbraw/zinc/18/01/98/388180198.db2.gz XKWITWZCGIHNJU-DZGCQCFKSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000488453932 388180486 /nfs/dbraw/zinc/18/04/86/388180486.db2.gz XKWITWZCGIHNJU-HIFRSBDPSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000488453933 388180536 /nfs/dbraw/zinc/18/05/36/388180536.db2.gz XKWITWZCGIHNJU-UKRRQHHQSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000488453934 388180371 /nfs/dbraw/zinc/18/03/71/388180371.db2.gz XKWITWZCGIHNJU-ZFWWWQNUSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000488456944 533729895 /nfs/dbraw/zinc/72/98/95/533729895.db2.gz LVFGRYIRNRCTSP-BVUBDWEXSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000488456945 388180604 /nfs/dbraw/zinc/18/06/04/388180604.db2.gz LVFGRYIRNRCTSP-DTZQCDIJSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000488456946 533728774 /nfs/dbraw/zinc/72/87/74/533728774.db2.gz LVFGRYIRNRCTSP-MIGQKNRLSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000488456947 388180301 /nfs/dbraw/zinc/18/03/01/388180301.db2.gz LVFGRYIRNRCTSP-SLBVQIDZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000488457675 388180747 /nfs/dbraw/zinc/18/07/47/388180747.db2.gz LZRNFLHZICDYJR-DZGCQCFKSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000488457677 388180471 /nfs/dbraw/zinc/18/04/71/388180471.db2.gz LZRNFLHZICDYJR-HIFRSBDPSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000488457680 388180699 /nfs/dbraw/zinc/18/06/99/388180699.db2.gz LZRNFLHZICDYJR-UKRRQHHQSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000488457682 388180487 /nfs/dbraw/zinc/18/04/87/388180487.db2.gz LZRNFLHZICDYJR-ZFWWWQNUSA-N 1 0 231.383 3.501 20 0 BHADRO CCCC[C@@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000488457708 388180534 /nfs/dbraw/zinc/18/05/34/388180534.db2.gz MCADJRZANXRVHU-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000488457711 388180182 /nfs/dbraw/zinc/18/01/82/388180182.db2.gz MCADJRZANXRVHU-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C1CC([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000488459198 527626128 /nfs/dbraw/zinc/62/61/28/527626128.db2.gz NXIMAJPEQRLCTI-UHFFFAOYSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000488459210 388181148 /nfs/dbraw/zinc/18/11/48/388181148.db2.gz NZNAVKJNGJJWPJ-MNAZLIDISA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2C[C@H]2Cc2ccccc2)C1 ZINC000488459211 388181304 /nfs/dbraw/zinc/18/13/04/388181304.db2.gz NZNAVKJNGJJWPJ-MYBQVCMBSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000488459212 388181170 /nfs/dbraw/zinc/18/11/70/388181170.db2.gz NZNAVKJNGJJWPJ-ODZFXCKXSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000488459213 388181194 /nfs/dbraw/zinc/18/11/94/388181194.db2.gz NZNAVKJNGJJWPJ-XGHPGWEVSA-N 1 0 243.394 3.642 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000488459243 388181547 /nfs/dbraw/zinc/18/15/47/388181547.db2.gz OHQNTKNAEJFPHS-DIOULYMOSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000488459244 533729191 /nfs/dbraw/zinc/72/91/91/533729191.db2.gz OHQNTKNAEJFPHS-DJSGYFEHSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000488459245 388181520 /nfs/dbraw/zinc/18/15/20/388181520.db2.gz OHQNTKNAEJFPHS-WPGHFRTFSA-N 1 0 247.357 3.913 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000488459246 388180692 /nfs/dbraw/zinc/18/06/92/388180692.db2.gz OHQNTKNAEJFPHS-XFJVYGCCSA-N 1 0 247.357 3.913 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000488460132 533827824 /nfs/dbraw/zinc/82/78/24/533827824.db2.gz PAUSCCFJJCCMMP-GRTSSRMGSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000488460133 388181306 /nfs/dbraw/zinc/18/13/06/388181306.db2.gz PAUSCCFJJCCMMP-LRVUVFPRSA-N 1 0 249.398 3.933 20 0 BHADRO CC(C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000488465090 388181176 /nfs/dbraw/zinc/18/11/76/388181176.db2.gz UHKIEYZVBSAQLH-CVEARBPZSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000488465091 388181238 /nfs/dbraw/zinc/18/12/38/388181238.db2.gz UHKIEYZVBSAQLH-HOTGVXAUSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000488465092 388181013 /nfs/dbraw/zinc/18/10/13/388181013.db2.gz UHKIEYZVBSAQLH-HZPDHXFCSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000488465093 388181109 /nfs/dbraw/zinc/18/11/09/388181109.db2.gz UHKIEYZVBSAQLH-JKSUJKDBSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)C1CC([NH2+]C2(c3ccccc3)CC2)C1 ZINC000488466991 527626206 /nfs/dbraw/zinc/62/62/06/527626206.db2.gz MZSQTOPAMFRQRK-UHFFFAOYSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)C1CC([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000488470988 527626234 /nfs/dbraw/zinc/62/62/34/527626234.db2.gz CDACTTZYRWQLAX-UHFFFAOYSA-N 1 0 243.394 3.786 20 0 BHADRO c1ccc(C2([NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000488474813 388182056 /nfs/dbraw/zinc/18/20/56/388182056.db2.gz YWGAKDOODSKWMO-UHFFFAOYSA-N 1 0 241.378 3.988 20 0 BHADRO CC(C)C1CC([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000488477823 388182236 /nfs/dbraw/zinc/18/22/36/388182236.db2.gz KFRTZFFCCYIPCT-UHFFFAOYSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)C1CC([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000488483802 388182088 /nfs/dbraw/zinc/18/20/88/388182088.db2.gz TXAZGVVNEGSYMX-UHFFFAOYSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)C1CC([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000488490868 388182115 /nfs/dbraw/zinc/18/21/15/388182115.db2.gz CFPMVHHQIRYIAN-UHFFFAOYSA-N 1 0 247.357 3.839 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@H]1C[C@H]1C ZINC000488508910 388183162 /nfs/dbraw/zinc/18/31/62/388183162.db2.gz BUKOHLFPNPUBQI-CHWSQXEVSA-N 1 0 237.412 3.659 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@@H]1C[C@H]1C ZINC000488508912 388183625 /nfs/dbraw/zinc/18/36/25/388183625.db2.gz BUKOHLFPNPUBQI-OLZOCXBDSA-N 1 0 237.412 3.659 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@H]1C[C@@H]1C ZINC000488508913 528115723 /nfs/dbraw/zinc/11/57/23/528115723.db2.gz BUKOHLFPNPUBQI-QWHCGFSZSA-N 1 0 237.412 3.659 20 0 BHADRO CCC[N@H+](CCc1cccs1)C[C@@H]1C[C@@H]1C ZINC000488508915 388183447 /nfs/dbraw/zinc/18/34/47/388183447.db2.gz BUKOHLFPNPUBQI-STQMWFEESA-N 1 0 237.412 3.659 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+]1CCC(c2ccsc2)CC1 ZINC000488516410 388184099 /nfs/dbraw/zinc/18/40/99/388184099.db2.gz QICRLSLDBPOAEE-BXUZGUMPSA-N 1 0 235.396 3.584 20 0 BHADRO C[C@H]1C[C@H]1C[NH+]1CCC(c2ccsc2)CC1 ZINC000488516411 225409790 /nfs/dbraw/zinc/40/97/90/225409790.db2.gz QICRLSLDBPOAEE-FZMZJTMJSA-N 1 0 235.396 3.584 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+]1CCC(c2ccsc2)CC1 ZINC000488516412 388182212 /nfs/dbraw/zinc/18/22/12/388182212.db2.gz QICRLSLDBPOAEE-RISCZKNCSA-N 1 0 235.396 3.584 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+]1CCC(c2ccsc2)CC1 ZINC000488516413 225405666 /nfs/dbraw/zinc/40/56/66/225405666.db2.gz QICRLSLDBPOAEE-SMDDNHRTSA-N 1 0 235.396 3.584 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000488521666 388183792 /nfs/dbraw/zinc/18/37/92/388183792.db2.gz JMSMNZBWSPWPGY-HZSPNIEDSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000488521667 388184007 /nfs/dbraw/zinc/18/40/07/388184007.db2.gz JMSMNZBWSPWPGY-IHRRRGAJSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000488521668 388183797 /nfs/dbraw/zinc/18/37/97/388183797.db2.gz JMSMNZBWSPWPGY-MELADBBJSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000488521669 388183753 /nfs/dbraw/zinc/18/37/53/388183753.db2.gz JMSMNZBWSPWPGY-RDBSUJKOSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000488525264 388183967 /nfs/dbraw/zinc/18/39/67/388183967.db2.gz OSVJDHKNIVLHAJ-AAEUAGOBSA-N 1 0 243.350 3.529 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C[C@H]1C[C@H]1C ZINC000488525267 388184149 /nfs/dbraw/zinc/18/41/49/388184149.db2.gz OSVJDHKNIVLHAJ-DGCLKSJQSA-N 1 0 243.350 3.529 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C[C@H]1C[C@@H]1C ZINC000488525269 225411243 /nfs/dbraw/zinc/41/12/43/225411243.db2.gz OSVJDHKNIVLHAJ-WCQYABFASA-N 1 0 243.350 3.529 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]C[C@@H]1C[C@H]1C ZINC000488525272 388184445 /nfs/dbraw/zinc/18/44/45/388184445.db2.gz OSVJDHKNIVLHAJ-YPMHNXCESA-N 1 0 243.350 3.529 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@H](C)Cc1ccsc1 ZINC000488525921 388183827 /nfs/dbraw/zinc/18/38/27/388183827.db2.gz YXXBHFUVRWZIAM-BZPMIXESSA-N 1 0 237.412 3.657 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H](C)Cc1ccsc1 ZINC000488525922 388182747 /nfs/dbraw/zinc/18/27/47/388182747.db2.gz YXXBHFUVRWZIAM-DYEKYZERSA-N 1 0 237.412 3.657 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)Cc1ccsc1 ZINC000488525923 388183074 /nfs/dbraw/zinc/18/30/74/388183074.db2.gz YXXBHFUVRWZIAM-OBJOEFQTSA-N 1 0 237.412 3.657 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H](C)Cc1ccsc1 ZINC000488525924 388183439 /nfs/dbraw/zinc/18/34/39/388183439.db2.gz YXXBHFUVRWZIAM-SCRDCRAPSA-N 1 0 237.412 3.657 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c(C)c1 ZINC000488540021 528686906 /nfs/dbraw/zinc/68/69/06/528686906.db2.gz FZHHMTLRXGKABF-DOMZBBRYSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c(C)c1 ZINC000488540022 388185782 /nfs/dbraw/zinc/18/57/82/388185782.db2.gz FZHHMTLRXGKABF-IUODEOHRSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c(C)c1 ZINC000488540023 388186419 /nfs/dbraw/zinc/18/64/19/388186419.db2.gz FZHHMTLRXGKABF-SWLSCSKDSA-N 1 0 247.382 3.529 20 0 BHADRO CCCOc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c(C)c1 ZINC000488540024 388186637 /nfs/dbraw/zinc/18/66/37/388186637.db2.gz FZHHMTLRXGKABF-WFASDCNBSA-N 1 0 247.382 3.529 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000488548288 533437300 /nfs/dbraw/zinc/43/73/00/533437300.db2.gz UQKOYSXUVOJNRD-NQBHXWOUSA-N 1 0 229.323 3.739 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000488548289 388186032 /nfs/dbraw/zinc/18/60/32/388186032.db2.gz UQKOYSXUVOJNRD-WZRBSPASSA-N 1 0 229.323 3.739 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@H]1C[C@H]1C ZINC000488548344 388186566 /nfs/dbraw/zinc/18/65/66/388186566.db2.gz UHFCZKHBNMHGBN-CHWSQXEVSA-N 1 0 242.366 3.646 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@@H]1C[C@H]1C ZINC000488548345 388186046 /nfs/dbraw/zinc/18/60/46/388186046.db2.gz UHFCZKHBNMHGBN-OLZOCXBDSA-N 1 0 242.366 3.646 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@H]1C[C@@H]1C ZINC000488548348 385828297 /nfs/dbraw/zinc/82/82/97/385828297.db2.gz UHFCZKHBNMHGBN-QWHCGFSZSA-N 1 0 242.366 3.646 20 0 BHADRO CC[N@@H+](Cc1c[nH]c2ccccc12)C[C@@H]1C[C@@H]1C ZINC000488548354 385828260 /nfs/dbraw/zinc/82/82/60/385828260.db2.gz UHFCZKHBNMHGBN-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000488551088 388187081 /nfs/dbraw/zinc/18/70/81/388187081.db2.gz ZXRHLCMETLHXSR-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000488553528 388186953 /nfs/dbraw/zinc/18/69/53/388186953.db2.gz FCOMBCBMKZLVDH-DZUCGIPZSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000488553534 388187542 /nfs/dbraw/zinc/18/75/42/388187542.db2.gz FCOMBCBMKZLVDH-MWQQHZPXSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000488553541 388186752 /nfs/dbraw/zinc/18/67/52/388186752.db2.gz FCOMBCBMKZLVDH-XBVQOTNRSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000488553546 533728757 /nfs/dbraw/zinc/72/87/57/533728757.db2.gz FCOMBCBMKZLVDH-XLNGHYISSA-N 1 0 243.394 3.643 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000488567460 388188332 /nfs/dbraw/zinc/18/83/32/388188332.db2.gz ZLQZRSXJHFYGHE-DZGCQCFKSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000488567464 386274740 /nfs/dbraw/zinc/27/47/40/386274740.db2.gz ZLQZRSXJHFYGHE-HIFRSBDPSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000488567470 219875749 /nfs/dbraw/zinc/87/57/49/219875749.db2.gz ZLQZRSXJHFYGHE-UKRRQHHQSA-N 1 0 246.398 3.596 20 0 BHADRO CC[NH+](CC)Cc1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000488567471 219875747 /nfs/dbraw/zinc/87/57/47/219875747.db2.gz ZLQZRSXJHFYGHE-ZFWWWQNUSA-N 1 0 246.398 3.596 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000488567830 225419502 /nfs/dbraw/zinc/41/95/02/225419502.db2.gz ZOTCKAUHVKUDIR-GXTWGEPZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000488567835 388188096 /nfs/dbraw/zinc/18/80/96/388188096.db2.gz ZOTCKAUHVKUDIR-JSGCOSHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000488567837 388187914 /nfs/dbraw/zinc/18/79/14/388187914.db2.gz ZOTCKAUHVKUDIR-OCCSQVGLSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000488567842 388187847 /nfs/dbraw/zinc/18/78/47/388187847.db2.gz ZOTCKAUHVKUDIR-TZMCWYRMSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc2ncsc2c1 ZINC000488589574 386332122 /nfs/dbraw/zinc/33/21/22/386332122.db2.gz NLGICOGRXNHJBD-JBLDHEPKSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc2ncsc2c1 ZINC000488589585 386329542 /nfs/dbraw/zinc/32/95/42/386329542.db2.gz NLGICOGRXNHJBD-JFGNBEQYSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc2ncsc2c1 ZINC000488589590 386331883 /nfs/dbraw/zinc/33/18/83/386331883.db2.gz NLGICOGRXNHJBD-NHCYSSNCSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc2ncsc2c1 ZINC000488589596 386330122 /nfs/dbraw/zinc/33/01/22/386330122.db2.gz NLGICOGRXNHJBD-SCVCMEIPSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc2cccc(F)c2o1 ZINC000488591400 388189705 /nfs/dbraw/zinc/18/97/05/388189705.db2.gz QHUBXOZXRMHXDK-JBLDHEPKSA-N 1 0 247.313 3.879 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc2cccc(F)c2o1 ZINC000488591401 388189908 /nfs/dbraw/zinc/18/99/08/388189908.db2.gz QHUBXOZXRMHXDK-JFGNBEQYSA-N 1 0 247.313 3.879 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc2cccc(F)c2o1 ZINC000488591402 533887865 /nfs/dbraw/zinc/88/78/65/533887865.db2.gz QHUBXOZXRMHXDK-NHCYSSNCSA-N 1 0 247.313 3.879 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc2cccc(F)c2o1 ZINC000488591403 388190299 /nfs/dbraw/zinc/19/02/99/388190299.db2.gz QHUBXOZXRMHXDK-SCVCMEIPSA-N 1 0 247.313 3.879 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000488595635 533722869 /nfs/dbraw/zinc/72/28/69/533722869.db2.gz XYADDUWIVFXHAK-GMTAPVOTSA-N 1 0 249.320 3.553 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000488595636 388189898 /nfs/dbraw/zinc/18/98/98/388189898.db2.gz XYADDUWIVFXHAK-MXWKQRLJSA-N 1 0 249.320 3.553 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000488595638 388190325 /nfs/dbraw/zinc/19/03/25/388190325.db2.gz XYADDUWIVFXHAK-OUAUKWLOSA-N 1 0 249.320 3.553 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000488595640 388190198 /nfs/dbraw/zinc/19/01/98/388190198.db2.gz XYADDUWIVFXHAK-VWYCJHECSA-N 1 0 249.320 3.553 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CC(C)(C)C)cc1 ZINC000488612164 388191019 /nfs/dbraw/zinc/19/10/19/388191019.db2.gz UNHLFSWIIUYZPE-UHFFFAOYSA-N 1 0 233.399 3.908 20 0 BHADRO CC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000488674230 388191061 /nfs/dbraw/zinc/19/10/61/388191061.db2.gz SYXKLSJMZDDGNW-AWEZNQCLSA-N 1 0 205.345 3.644 20 0 BHADRO CC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488674244 388191022 /nfs/dbraw/zinc/19/10/22/388191022.db2.gz SYXKLSJMZDDGNW-CQSZACIVSA-N 1 0 205.345 3.644 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCO1 ZINC000488700369 529256457 /nfs/dbraw/zinc/25/64/57/529256457.db2.gz NVEKGNDRIPARBO-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000488700371 388191553 /nfs/dbraw/zinc/19/15/53/388191553.db2.gz NVEKGNDRIPARBO-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCO1 ZINC000488700373 388191811 /nfs/dbraw/zinc/19/18/11/388191811.db2.gz NVEKGNDRIPARBO-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000488700376 388191897 /nfs/dbraw/zinc/19/18/97/388191897.db2.gz NVEKGNDRIPARBO-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO COCCC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000488725323 388192655 /nfs/dbraw/zinc/19/26/55/388192655.db2.gz LCJWIEVPETUQMH-INIZCTEOSA-N 1 0 249.398 3.660 20 0 BHADRO COCCC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488725324 388193140 /nfs/dbraw/zinc/19/31/40/388193140.db2.gz LCJWIEVPETUQMH-MRXNPFEDSA-N 1 0 249.398 3.660 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC000488760469 388194818 /nfs/dbraw/zinc/19/48/18/388194818.db2.gz MDFBOABDOYGDAZ-CYBMUJFWSA-N 1 0 205.345 3.788 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC000488760470 388195058 /nfs/dbraw/zinc/19/50/58/388195058.db2.gz MDFBOABDOYGDAZ-ZDUSSCGKSA-N 1 0 205.345 3.788 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(OC)c(Cl)c1 ZINC000488764886 388195062 /nfs/dbraw/zinc/19/50/62/388195062.db2.gz VCFDAXIYJHVEIW-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000488789690 388195168 /nfs/dbraw/zinc/19/51/68/388195168.db2.gz FATIHADILCYYQJ-LLVKDONJSA-N 1 0 238.375 3.765 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000488789691 388194786 /nfs/dbraw/zinc/19/47/86/388194786.db2.gz FATIHADILCYYQJ-NSHDSACASA-N 1 0 238.375 3.765 20 0 BHADRO CCC[N@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC000488793240 388196087 /nfs/dbraw/zinc/19/60/87/388196087.db2.gz PGCFPIQHXJOQFZ-AWEZNQCLSA-N 1 0 221.319 3.545 20 0 BHADRO CCC[N@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC000488793243 388195788 /nfs/dbraw/zinc/19/57/88/388195788.db2.gz PGCFPIQHXJOQFZ-CQSZACIVSA-N 1 0 221.319 3.545 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000488824825 388196712 /nfs/dbraw/zinc/19/67/12/388196712.db2.gz JEMPWYGJUQRCNP-GFCCVEGCSA-N 1 0 217.356 3.578 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000488824829 388196899 /nfs/dbraw/zinc/19/68/99/388196899.db2.gz JEMPWYGJUQRCNP-LBPRGKRZSA-N 1 0 217.356 3.578 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000488829718 388196813 /nfs/dbraw/zinc/19/68/13/388196813.db2.gz QSNWKOPOUIVNSB-CYBMUJFWSA-N 1 0 223.747 3.669 20 0 BHADRO CCC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000488829719 388196576 /nfs/dbraw/zinc/19/65/76/388196576.db2.gz QSNWKOPOUIVNSB-ZDUSSCGKSA-N 1 0 223.747 3.669 20 0 BHADRO C[C@H]([N@H+](C)CCCc1ccccc1)C1(C)CC1 ZINC000489073013 388203860 /nfs/dbraw/zinc/20/38/60/388203860.db2.gz LGSLYLUVEPIXGH-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]([N@H+](C)CCCc1ccccc1)C1(C)CC1 ZINC000489073014 388202743 /nfs/dbraw/zinc/20/27/43/388202743.db2.gz LGSLYLUVEPIXGH-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CC1(C)C ZINC000489077029 388203286 /nfs/dbraw/zinc/20/32/86/388203286.db2.gz YTLNYYKPRFSCPM-BMQCOBNYSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC1(C)C ZINC000489077031 388203484 /nfs/dbraw/zinc/20/34/84/388203484.db2.gz YTLNYYKPRFSCPM-CTXBLAANSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CC1(C)C ZINC000489077032 388203762 /nfs/dbraw/zinc/20/37/62/388203762.db2.gz YTLNYYKPRFSCPM-GLNPCMGASA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CC1(C)C ZINC000489077033 388203298 /nfs/dbraw/zinc/20/32/98/388203298.db2.gz YTLNYYKPRFSCPM-UZGISAJGSA-N 1 0 229.367 3.726 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000489105428 388204250 /nfs/dbraw/zinc/20/42/50/388204250.db2.gz ZGQYKWJHNNNLSW-HNNXBMFYSA-N 1 0 235.346 3.633 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000489105429 388204218 /nfs/dbraw/zinc/20/42/18/388204218.db2.gz ZGQYKWJHNNNLSW-OAHLLOKOSA-N 1 0 235.346 3.633 20 0 BHADRO C[N@H+](CCCc1cccc(F)c1)CC(C)(C)C ZINC000489143724 388204679 /nfs/dbraw/zinc/20/46/79/388204679.db2.gz ZWFZRXBFCSRXBA-UHFFFAOYSA-N 1 0 237.362 3.736 20 0 BHADRO COc1ccc(C[N@H+](C)CC2CCCC2)cc1C ZINC000489146058 388204604 /nfs/dbraw/zinc/20/46/04/388204604.db2.gz FIJAGCYTZPTOHB-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCC[N@H+](CCCc1cccc(F)c1)C1CC1 ZINC000489151979 388205400 /nfs/dbraw/zinc/20/54/00/388205400.db2.gz HYKUKNOGBFEZFP-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CC1(C)CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000489210027 388205940 /nfs/dbraw/zinc/20/59/40/388205940.db2.gz ZYQLPBHJCPTMPG-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CC1CC1 ZINC000489284542 388206620 /nfs/dbraw/zinc/20/66/20/388206620.db2.gz BQDCMYXOQOBQRI-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CC1CC1 ZINC000489284543 388206672 /nfs/dbraw/zinc/20/66/72/388206672.db2.gz BQDCMYXOQOBQRI-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000489322474 388207819 /nfs/dbraw/zinc/20/78/19/388207819.db2.gz CTOBLDBYIHKANB-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1ccc(F)c(F)c1 ZINC000489322482 388207395 /nfs/dbraw/zinc/20/73/95/388207395.db2.gz CTOBLDBYIHKANB-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@H]1CCc2ccc(F)cc21 ZINC000489330420 388208003 /nfs/dbraw/zinc/20/80/03/388208003.db2.gz NYIQSHQWXWYMOI-HNNXBMFYSA-N 1 0 233.330 3.545 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000489330422 388207881 /nfs/dbraw/zinc/20/78/81/388207881.db2.gz NYIQSHQWXWYMOI-OAHLLOKOSA-N 1 0 233.330 3.545 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1cc(F)ccc1F ZINC000489336468 388208679 /nfs/dbraw/zinc/20/86/79/388208679.db2.gz WINCOKWLFNYCCQ-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1cc(F)ccc1F ZINC000489336470 388208569 /nfs/dbraw/zinc/20/85/69/388208569.db2.gz WINCOKWLFNYCCQ-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)CCc1ccccc1 ZINC000489359778 388209130 /nfs/dbraw/zinc/20/91/30/388209130.db2.gz KHCNJAIKIKIQLN-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)CCc1ccccc1 ZINC000489359781 388209389 /nfs/dbraw/zinc/20/93/89/388209389.db2.gz KHCNJAIKIKIQLN-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO CC[N@H+](CC1CC1)[C@H]1CCCc2ccccc21 ZINC000489363329 388209914 /nfs/dbraw/zinc/20/99/14/388209914.db2.gz PSOJMZUODGAUHN-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H]1CCCc2ccccc21 ZINC000489363332 388209768 /nfs/dbraw/zinc/20/97/68/388209768.db2.gz PSOJMZUODGAUHN-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1cccc(C)c1 ZINC000489385917 388210724 /nfs/dbraw/zinc/21/07/24/388210724.db2.gz HNHGHBIKTVFXOW-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1cccc(C)c1 ZINC000489385918 388210554 /nfs/dbraw/zinc/21/05/54/388210554.db2.gz HNHGHBIKTVFXOW-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1ccc(F)cc1F ZINC000489386536 388210573 /nfs/dbraw/zinc/21/05/73/388210573.db2.gz ILLOBIRTUHESIJ-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1ccc(F)cc1F ZINC000489386537 388210570 /nfs/dbraw/zinc/21/05/70/388210570.db2.gz ILLOBIRTUHESIJ-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000489394791 388210639 /nfs/dbraw/zinc/21/06/39/388210639.db2.gz CLBOWEXWMUMKOW-SECBINFHSA-N 1 0 229.776 3.632 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CC1(C)C ZINC000489394793 388211047 /nfs/dbraw/zinc/21/10/47/388211047.db2.gz CLBOWEXWMUMKOW-VIFPVBQESA-N 1 0 229.776 3.632 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1ccccc1C ZINC000489425043 398024042 /nfs/dbraw/zinc/02/40/42/398024042.db2.gz REXHXIMCCSGNGN-CYBMUJFWSA-N 1 0 217.356 3.788 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1ccccc1C ZINC000489425045 398024144 /nfs/dbraw/zinc/02/41/44/398024144.db2.gz REXHXIMCCSGNGN-ZDUSSCGKSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)c(C)s1 ZINC000489430394 398024912 /nfs/dbraw/zinc/02/49/12/398024912.db2.gz GAYQOIJFEDBPJP-GFCCVEGCSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H]2CC2(C)C)c(C)s1 ZINC000489430406 398024827 /nfs/dbraw/zinc/02/48/27/398024827.db2.gz GAYQOIJFEDBPJP-LBPRGKRZSA-N 1 0 223.385 3.595 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CC1(C)C ZINC000489432342 388213386 /nfs/dbraw/zinc/21/33/86/388213386.db2.gz UNFQRPGFQGSLJU-GFCCVEGCSA-N 1 0 246.379 3.527 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CC1(C)C ZINC000489432345 388214151 /nfs/dbraw/zinc/21/41/51/388214151.db2.gz UNFQRPGFQGSLJU-LBPRGKRZSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000489433146 388214181 /nfs/dbraw/zinc/21/41/81/388214181.db2.gz IVGUHUMDRGXCHY-GXTWGEPZSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000489433148 388213488 /nfs/dbraw/zinc/21/34/88/388213488.db2.gz IVGUHUMDRGXCHY-JSGCOSHPSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@H+](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000489433150 388214077 /nfs/dbraw/zinc/21/40/77/388214077.db2.gz IVGUHUMDRGXCHY-OCCSQVGLSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000489433152 388214080 /nfs/dbraw/zinc/21/40/80/388214080.db2.gz IVGUHUMDRGXCHY-TZMCWYRMSA-N 1 0 217.356 3.520 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489437533 388213141 /nfs/dbraw/zinc/21/31/41/388213141.db2.gz NEVBPVHGZURATK-CYBMUJFWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489437534 388213257 /nfs/dbraw/zinc/21/32/57/388213257.db2.gz NEVBPVHGZURATK-ZDUSSCGKSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H]2CC2(C)C)cc1 ZINC000489441963 388215058 /nfs/dbraw/zinc/21/50/58/388215058.db2.gz UKMIWCBMRJFWRR-CYBMUJFWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H]2CC2(C)C)cc1 ZINC000489441964 388214829 /nfs/dbraw/zinc/21/48/29/388214829.db2.gz UKMIWCBMRJFWRR-ZDUSSCGKSA-N 1 0 235.396 3.639 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)c1c(F)cccc1F ZINC000489455994 388216541 /nfs/dbraw/zinc/21/65/41/388216541.db2.gz JZXAIHHGAOGRJY-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)c1c(F)cccc1F ZINC000489455995 388216217 /nfs/dbraw/zinc/21/62/17/388216217.db2.gz JZXAIHHGAOGRJY-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)[C@H]1CC1(C)C ZINC000489462980 388215710 /nfs/dbraw/zinc/21/57/10/388215710.db2.gz ZBGUVJKRGNUIIE-HNNXBMFYSA-N 1 0 247.382 3.576 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)[C@@H]1CC1(C)C ZINC000489462981 388216077 /nfs/dbraw/zinc/21/60/77/388216077.db2.gz ZBGUVJKRGNUIIE-OAHLLOKOSA-N 1 0 247.382 3.576 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)[C@H]1CC1(C)C ZINC000489464587 388215759 /nfs/dbraw/zinc/21/57/59/388215759.db2.gz KTNOSBHGGDTXEQ-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CC1(C)C ZINC000489464588 388216033 /nfs/dbraw/zinc/21/60/33/388216033.db2.gz KTNOSBHGGDTXEQ-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO C[N@H+](Cc1cccc(F)c1)C1(C)CCCC1 ZINC000489823272 388225119 /nfs/dbraw/zinc/22/51/19/388225119.db2.gz AYVKKKXUOHSWNY-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO C[N@H+](Cc1nc2ccccc2o1)C1(C)CCCC1 ZINC000489830984 388225001 /nfs/dbraw/zinc/22/50/01/388225001.db2.gz MYVCDGBPMUMMPR-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO Cc1ccccc1C[N@@H+](C)C1(C)CCCC1 ZINC000489840487 388226039 /nfs/dbraw/zinc/22/60/39/388226039.db2.gz JWMIYMLCZSAVOK-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO C[N@H+](Cc1cccc(F)c1F)C1(C)CCCC1 ZINC000489842703 388225883 /nfs/dbraw/zinc/22/58/83/388225883.db2.gz LXABAZIINDSFNU-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCOc1ccc(C[N@H+](C)C2(C)CCCC2)cc1 ZINC000489844778 388226189 /nfs/dbraw/zinc/22/61/89/388226189.db2.gz VMCRCJWXDRFIAF-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1)C1(C)CCCC1 ZINC000489846762 388225955 /nfs/dbraw/zinc/22/59/55/388225955.db2.gz CPRGNPNATOLYLX-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO C[N@H+](CCc1ccccc1F)C1(C)CCCC1 ZINC000489852426 388226567 /nfs/dbraw/zinc/22/65/67/388226567.db2.gz RABRLOVCWRCKEH-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO Cc1nc(C[N@@H+](C)C2(C)CCCC2)sc1C ZINC000489855304 388226154 /nfs/dbraw/zinc/22/61/54/388226154.db2.gz ISPHWUWTIRNFNW-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000489859284 388226088 /nfs/dbraw/zinc/22/60/88/388226088.db2.gz LUFCATIOWAZHHL-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO C[C@@H](N[C@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860844 388226544 /nfs/dbraw/zinc/22/65/44/388226544.db2.gz QNFCAWUITLQTPY-BXKDBHETSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](N[C@@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860845 388226372 /nfs/dbraw/zinc/22/63/72/388226372.db2.gz QNFCAWUITLQTPY-CABZTGNLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](N[C@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860846 388225797 /nfs/dbraw/zinc/22/57/97/388225797.db2.gz QNFCAWUITLQTPY-JOYOIKCWSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](N[C@@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860847 388226140 /nfs/dbraw/zinc/22/61/40/388226140.db2.gz QNFCAWUITLQTPY-SKDRFNHKSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@H](N[C@H](C2CC2)C(F)(F)F)C[C@@H]1C ZINC000489861433 388226538 /nfs/dbraw/zinc/22/65/38/388226538.db2.gz SITIGIVFYATNHU-LLHIFLOGSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H](N[C@@H](C2CC2)C(F)(F)F)C[C@H]1C ZINC000489861434 388226012 /nfs/dbraw/zinc/22/60/12/388226012.db2.gz SITIGIVFYATNHU-LSKIRQOJSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H](N[C@H](C2CC2)C(F)(F)F)C[C@H]1C ZINC000489861435 388225873 /nfs/dbraw/zinc/22/58/73/388225873.db2.gz SITIGIVFYATNHU-PKZYVASSSA-N 1 0 249.320 3.742 20 0 BHADRO C[N@H+](Cc1ccc(F)c(F)c1)C1(C)CCCC1 ZINC000489868432 388227062 /nfs/dbraw/zinc/22/70/62/388227062.db2.gz ZNEKSYUQHNQQEX-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO COc1ccc(CC[N@H+](C)C2(C)CCCC2)cc1 ZINC000489869988 388227276 /nfs/dbraw/zinc/22/72/76/388227276.db2.gz HZPBWCVRPRBHLX-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO C[N@H+](Cc1ncc(Cl)s1)C1(C)CCCC1 ZINC000489870103 388226919 /nfs/dbraw/zinc/22/69/19/388226919.db2.gz INYMNQLDOAXQJB-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO C[N@H+](Cc1c(F)cccc1F)C1(C)CCCC1 ZINC000489870684 388226754 /nfs/dbraw/zinc/22/67/54/388226754.db2.gz JIMNLXCQGCICMO-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO Cc1cccc(C[N@@H+](C)C2(C)CCCC2)c1 ZINC000489877664 388227308 /nfs/dbraw/zinc/22/73/08/388227308.db2.gz VAFHPXGICYGFOT-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)C1(C)CCCC1 ZINC000489882057 388227047 /nfs/dbraw/zinc/22/70/47/388227047.db2.gz GOOHIIRLOREJHF-DHZHZOJOSA-N 1 0 229.367 3.964 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)C1(C)CCCC1 ZINC000489882058 388227520 /nfs/dbraw/zinc/22/75/20/388227520.db2.gz GOOHIIRLOREJHF-FLIBITNWSA-N 1 0 229.367 3.964 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCCOC1 ZINC000489882301 388227263 /nfs/dbraw/zinc/22/72/63/388227263.db2.gz HRILYEYPHNPAEI-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+][C@H]1CCCOC1 ZINC000489882303 388227524 /nfs/dbraw/zinc/22/75/24/388227524.db2.gz HRILYEYPHNPAEI-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC[C@@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882964 388226256 /nfs/dbraw/zinc/22/62/56/388226256.db2.gz JDWZESBGNXADMD-MNOVXSKESA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CCC[C@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882966 388225909 /nfs/dbraw/zinc/22/59/09/388225909.db2.gz JDWZESBGNXADMD-QWRGUYRKSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CCC[C@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000489882968 388225821 /nfs/dbraw/zinc/22/58/21/388225821.db2.gz JDWZESBGNXADMD-WDEREUQCSA-N 1 0 249.320 3.886 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)C1(C)CCCC1 ZINC000489885851 388226842 /nfs/dbraw/zinc/22/68/42/388226842.db2.gz LYAZOGJAPADDGP-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO C[N@H+](Cc1ccccc1F)C1(C)CCCC1 ZINC000489886468 388226766 /nfs/dbraw/zinc/22/67/66/388226766.db2.gz MNMWIIGYLPMVBE-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C)C2(C)CCCC2)s1 ZINC000489886872 388226898 /nfs/dbraw/zinc/22/68/98/388226898.db2.gz PLSQAYKOYFMKKZ-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO C[N@H+](Cc1cccs1)C1(C)CCCC1 ZINC000489887672 388227199 /nfs/dbraw/zinc/22/71/99/388227199.db2.gz QHSIKWAYIUQQGI-UHFFFAOYSA-N 1 0 209.358 3.513 20 0 BHADRO C[N@H+](Cc1cc(F)ccc1F)C1(C)CCCC1 ZINC000489895485 388227940 /nfs/dbraw/zinc/22/79/40/388227940.db2.gz HFYGDVFRKMUANY-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1F)C1(C)CCCC1 ZINC000489896562 388227667 /nfs/dbraw/zinc/22/76/67/388227667.db2.gz JXNWZODQUQMOCW-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCOC1)C1CCCCC1 ZINC000489938059 388228606 /nfs/dbraw/zinc/22/86/06/388228606.db2.gz WCAIUUBVIBSJMC-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCOC1)C1CCCCC1 ZINC000489938060 529021851 /nfs/dbraw/zinc/02/18/51/529021851.db2.gz WCAIUUBVIBSJMC-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(F)c1)C(C)(C)C ZINC000490011914 388230508 /nfs/dbraw/zinc/23/05/08/388230508.db2.gz IBNLMQGESGYRPN-GFCCVEGCSA-N 1 0 237.362 3.783 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(F)c1)C(C)(C)C ZINC000490011916 225500874 /nfs/dbraw/zinc/50/08/74/225500874.db2.gz IBNLMQGESGYRPN-LBPRGKRZSA-N 1 0 237.362 3.783 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCc1cccc(F)c1 ZINC000490013312 388230406 /nfs/dbraw/zinc/23/04/06/388230406.db2.gz LTIPXLMSSXAIAI-UHFFFAOYSA-N 1 0 237.362 3.879 20 0 BHADRO CSCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490031184 388231084 /nfs/dbraw/zinc/23/10/84/388231084.db2.gz KXXRNMXTMKVGDE-DZGCQCFKSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490031185 388231444 /nfs/dbraw/zinc/23/14/44/388231444.db2.gz KXXRNMXTMKVGDE-HIFRSBDPSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490031186 388231639 /nfs/dbraw/zinc/23/16/39/388231639.db2.gz KXXRNMXTMKVGDE-UKRRQHHQSA-N 1 0 249.423 3.536 20 0 BHADRO CSCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490031187 388231146 /nfs/dbraw/zinc/23/11/46/388231146.db2.gz KXXRNMXTMKVGDE-ZFWWWQNUSA-N 1 0 249.423 3.536 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490033628 528327116 /nfs/dbraw/zinc/32/71/16/528327116.db2.gz PYOQZUHDFLPFEI-DZGCQCFKSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490033629 388231527 /nfs/dbraw/zinc/23/15/27/388231527.db2.gz PYOQZUHDFLPFEI-HIFRSBDPSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490033630 388231548 /nfs/dbraw/zinc/23/15/48/388231548.db2.gz PYOQZUHDFLPFEI-UKRRQHHQSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490033631 388231467 /nfs/dbraw/zinc/23/14/67/388231467.db2.gz PYOQZUHDFLPFEI-ZFWWWQNUSA-N 1 0 217.356 3.583 20 0 BHADRO C[C@@H]([N@H+](C)CCCc1cccc(F)c1)C1(C)CC1 ZINC000490040076 388231216 /nfs/dbraw/zinc/23/12/16/388231216.db2.gz PDDKINXCEJPXRN-CYBMUJFWSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@H]([N@H+](C)CCCc1cccc(F)c1)C1(C)CC1 ZINC000490040078 388231331 /nfs/dbraw/zinc/23/13/31/388231331.db2.gz PDDKINXCEJPXRN-ZDUSSCGKSA-N 1 0 249.373 3.879 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C(C)C)C2)cc1 ZINC000490045978 388232196 /nfs/dbraw/zinc/23/21/96/388232196.db2.gz BTASKCFMIRPNMB-DZGCQCFKSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)[N@H+](C(C)C)C2)cc1 ZINC000490045981 388231989 /nfs/dbraw/zinc/23/19/89/388231989.db2.gz BTASKCFMIRPNMB-HIFRSBDPSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C(C)C)C2)cc1 ZINC000490045985 388231934 /nfs/dbraw/zinc/23/19/34/388231934.db2.gz BTASKCFMIRPNMB-UKRRQHHQSA-N 1 0 217.356 3.581 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)[N@H+](C(C)C)C2)cc1 ZINC000490045990 388232238 /nfs/dbraw/zinc/23/22/38/388232238.db2.gz BTASKCFMIRPNMB-ZFWWWQNUSA-N 1 0 217.356 3.581 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000490075532 388233725 /nfs/dbraw/zinc/23/37/25/388233725.db2.gz YJXSLAMWBUOBQK-LLVKDONJSA-N 1 0 241.325 3.628 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000490075535 388233383 /nfs/dbraw/zinc/23/33/83/388233383.db2.gz YJXSLAMWBUOBQK-NSHDSACASA-N 1 0 241.325 3.628 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCF)C2)cc1 ZINC000490081340 388234974 /nfs/dbraw/zinc/23/49/74/388234974.db2.gz SZAAAHFKJOPPQH-DZGCQCFKSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCF)C2)cc1 ZINC000490081342 388234462 /nfs/dbraw/zinc/23/44/62/388234462.db2.gz SZAAAHFKJOPPQH-HIFRSBDPSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCF)C2)cc1 ZINC000490081344 388234629 /nfs/dbraw/zinc/23/46/29/388234629.db2.gz SZAAAHFKJOPPQH-UKRRQHHQSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCF)C2)cc1 ZINC000490081346 388234582 /nfs/dbraw/zinc/23/45/82/388234582.db2.gz SZAAAHFKJOPPQH-ZFWWWQNUSA-N 1 0 235.346 3.532 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CCC3(CCC3)C2)c1 ZINC000490090404 388234466 /nfs/dbraw/zinc/23/44/66/388234466.db2.gz QIVUKRQILJBUFF-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCCc1cccc(F)c1 ZINC000490091072 388234215 /nfs/dbraw/zinc/23/42/15/388234215.db2.gz RZPKSGKLZJZIHJ-BETUJISGSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCCc1cccc(F)c1 ZINC000490091073 388234992 /nfs/dbraw/zinc/23/49/92/388234992.db2.gz RZPKSGKLZJZIHJ-CHWSQXEVSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1CCCc1cccc(F)c1 ZINC000490091074 388234645 /nfs/dbraw/zinc/23/46/45/388234645.db2.gz RZPKSGKLZJZIHJ-STQMWFEESA-N 1 0 235.346 3.631 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC3CC3)C2)cc1 ZINC000490092387 388234105 /nfs/dbraw/zinc/23/41/05/388234105.db2.gz MYBKZLWNZPSTKY-BBRMVZONSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC3CC3)C2)cc1 ZINC000490092388 388234643 /nfs/dbraw/zinc/23/46/43/388234643.db2.gz MYBKZLWNZPSTKY-CJNGLKHVSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC3CC3)C2)cc1 ZINC000490092389 388234686 /nfs/dbraw/zinc/23/46/86/388234686.db2.gz MYBKZLWNZPSTKY-CZUORRHYSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC3CC3)C2)cc1 ZINC000490092390 388234324 /nfs/dbraw/zinc/23/43/24/388234324.db2.gz MYBKZLWNZPSTKY-XJKSGUPXSA-N 1 0 229.367 3.583 20 0 BHADRO CCC[NH+](CCC)CCc1ccc(F)c(F)c1 ZINC000490103610 528060190 /nfs/dbraw/zinc/06/01/90/528060190.db2.gz ULHFGOZONZEHBG-UHFFFAOYSA-N 1 0 241.325 3.629 20 0 BHADRO C[N@H+](CCCc1ccccc1)C1(C)CCCC1 ZINC000490104723 388235690 /nfs/dbraw/zinc/23/56/90/388235690.db2.gz ORTPTUMTPDUEPX-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490112142 388235553 /nfs/dbraw/zinc/23/55/53/388235553.db2.gz IWWVMWVMDVJELT-FEPKRQSRSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490112143 388235141 /nfs/dbraw/zinc/23/51/41/388235141.db2.gz IWWVMWVMDVJELT-IWMBGFJWSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490112144 388235568 /nfs/dbraw/zinc/23/55/68/388235568.db2.gz IWWVMWVMDVJELT-KBHBFKLGSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490112145 388235526 /nfs/dbraw/zinc/23/55/26/388235526.db2.gz IWWVMWVMDVJELT-MRFVTOPCSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([N@H+](C)CCCOc1ccccc1)C1(C)CC1 ZINC000490121879 388235081 /nfs/dbraw/zinc/23/50/81/388235081.db2.gz ZSKNAOWINKHPCN-AWEZNQCLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]([N@H+](C)CCCOc1ccccc1)C1(C)CC1 ZINC000490121880 388235101 /nfs/dbraw/zinc/23/51/01/388235101.db2.gz ZSKNAOWINKHPCN-CQSZACIVSA-N 1 0 247.382 3.576 20 0 BHADRO CCCC[N@H+](CC)CCc1ccc(F)c(F)c1 ZINC000490132739 388235353 /nfs/dbraw/zinc/23/53/53/388235353.db2.gz KZXWQIFJBKAFLN-UHFFFAOYSA-N 1 0 241.325 3.629 20 0 BHADRO C[N@H+](Cc1cc(F)cc(F)c1)C1(C)CCCC1 ZINC000490133029 388235252 /nfs/dbraw/zinc/23/52/52/388235252.db2.gz NTGCKFBKEJBZFI-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)C1(C)CCCC1 ZINC000490137866 388235284 /nfs/dbraw/zinc/23/52/84/388235284.db2.gz CEHYRSKTDSEZFN-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO C[N@H+](CCCc1ccsc1)C1(C)CCCC1 ZINC000490139601 529897027 /nfs/dbraw/zinc/89/70/27/529897027.db2.gz MIGKRGHCLUZKEZ-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO Cc1nc(C[N@@H+](C)C2(C)CCCC2)c(C)s1 ZINC000490166553 388236514 /nfs/dbraw/zinc/23/65/14/388236514.db2.gz YTEPLWOAZKCSFS-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO CN(C)c1ccccc1C[N@H+](C)C1(C)CCCC1 ZINC000490176841 388236493 /nfs/dbraw/zinc/23/64/93/388236493.db2.gz SFOOYBGGAGIYIW-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCC1)[C@@H](C)C2 ZINC000490183692 388236480 /nfs/dbraw/zinc/23/64/80/388236480.db2.gz AGYIBWVORJZTPH-BLLLJJGKSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)[C@@H](C)C2 ZINC000490183693 225509348 /nfs/dbraw/zinc/50/93/48/225509348.db2.gz AGYIBWVORJZTPH-LRDDRELGSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCC1)[C@H](C)C2 ZINC000490183694 534450996 /nfs/dbraw/zinc/45/09/96/534450996.db2.gz AGYIBWVORJZTPH-MLGOLLRUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)[C@H](C)C2 ZINC000490183695 225509577 /nfs/dbraw/zinc/50/95/77/225509577.db2.gz AGYIBWVORJZTPH-WBMJQRKESA-N 1 0 229.367 3.618 20 0 BHADRO CC(C)[C@H](CSc1ccccc1)[NH2+]CC1CC1 ZINC000490189672 529029166 /nfs/dbraw/zinc/02/91/66/529029166.db2.gz AKDJWJLJBRXKHW-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1CC1 ZINC000490189673 528489818 /nfs/dbraw/zinc/48/98/18/528489818.db2.gz AKDJWJLJBRXKHW-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C1(C)CCCC1 ZINC000490216148 388236386 /nfs/dbraw/zinc/23/63/86/388236386.db2.gz LYWXEWYAGUIQOA-UHFFFAOYSA-N 1 0 237.309 3.984 20 0 BHADRO COCc1cccc(C[N@H+](C)C2(C)CCCC2)c1 ZINC000490232396 388236545 /nfs/dbraw/zinc/23/65/45/388236545.db2.gz VROYHCIYGWJDQC-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CCc2c1cccc2Cl ZINC000490302429 388237328 /nfs/dbraw/zinc/23/73/28/388237328.db2.gz SNAKTSDPEPSJNO-AWEZNQCLSA-N 1 0 235.758 3.669 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CCc2c1cccc2Cl ZINC000490302436 388236903 /nfs/dbraw/zinc/23/69/03/388236903.db2.gz SNAKTSDPEPSJNO-CQSZACIVSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CC1CC1 ZINC000490305176 388237229 /nfs/dbraw/zinc/23/72/29/388237229.db2.gz DEAYLKUJTDYNCN-GFCCVEGCSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CC1CC1 ZINC000490305178 388237231 /nfs/dbraw/zinc/23/72/31/388237231.db2.gz DEAYLKUJTDYNCN-LBPRGKRZSA-N 1 0 229.367 3.578 20 0 BHADRO CCCC[NH+](CCCC)C[C@H]1CCO[C@H](C)C1 ZINC000490373787 388237918 /nfs/dbraw/zinc/23/79/18/388237918.db2.gz SMXRPWZMZLPVEV-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[NH+](CCCC)C[C@H]1CCO[C@@H](C)C1 ZINC000490373795 388237901 /nfs/dbraw/zinc/23/79/01/388237901.db2.gz SMXRPWZMZLPVEV-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[NH+](CCCC)C[C@@H]1CCO[C@H](C)C1 ZINC000490373796 388237580 /nfs/dbraw/zinc/23/75/80/388237580.db2.gz SMXRPWZMZLPVEV-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[NH+](CCCC)C[C@@H]1CCO[C@@H](C)C1 ZINC000490373797 388237951 /nfs/dbraw/zinc/23/79/51/388237951.db2.gz SMXRPWZMZLPVEV-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000490377907 388237762 /nfs/dbraw/zinc/23/77/62/388237762.db2.gz RQPVDDZHJHFAJN-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO CCC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000490377908 388237881 /nfs/dbraw/zinc/23/78/81/388237881.db2.gz RQPVDDZHJHFAJN-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C(C)C)C1CCC1 ZINC000490430248 388238426 /nfs/dbraw/zinc/23/84/26/388238426.db2.gz GRXIFSHYWXIRRH-UHFFFAOYSA-N 1 0 235.346 3.897 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000490463280 388239103 /nfs/dbraw/zinc/23/91/03/388239103.db2.gz HZMUBVDTTVZYOI-LLVKDONJSA-N 1 0 209.333 3.599 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000490463282 388239221 /nfs/dbraw/zinc/23/92/21/388239221.db2.gz HZMUBVDTTVZYOI-NSHDSACASA-N 1 0 209.333 3.599 20 0 BHADRO CCOCC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000490589446 388241147 /nfs/dbraw/zinc/24/11/47/388241147.db2.gz MCSGJABPAOCWLM-INIZCTEOSA-N 1 0 249.398 3.660 20 0 BHADRO CCOCC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000490589455 528715181 /nfs/dbraw/zinc/71/51/81/528715181.db2.gz MCSGJABPAOCWLM-MRXNPFEDSA-N 1 0 249.398 3.660 20 0 BHADRO CC[C@H]([NH2+]C1CC(OC(C)(C)C)C1)C(C)(C)C ZINC000491004305 398030577 /nfs/dbraw/zinc/03/05/77/398030577.db2.gz HKRCXYQTWODGDG-BPCQOVAHSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)C(C)(C)C ZINC000491004306 398030399 /nfs/dbraw/zinc/03/03/99/398030399.db2.gz HKRCXYQTWODGDG-WXRRBKDZSA-N 1 0 241.419 3.747 20 0 BHADRO COCCCCC[N@H+](CC(C)C)C1CCCC1 ZINC000491024964 225579002 /nfs/dbraw/zinc/57/90/02/225579002.db2.gz AVPGJSATHGCLJO-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)C[N@H+](CCCOC(C)C)C1CCCC1 ZINC000491025962 388265881 /nfs/dbraw/zinc/26/58/81/388265881.db2.gz FCZCSEUFTCBLMU-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CCCOC(C)C ZINC000491047617 384785461 /nfs/dbraw/zinc/78/54/61/384785461.db2.gz HFQLKMLTSCKSSI-INIZCTEOSA-N 1 0 249.398 3.885 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CCCOC(C)C ZINC000491047618 529180401 /nfs/dbraw/zinc/18/04/01/529180401.db2.gz HFQLKMLTSCKSSI-MRXNPFEDSA-N 1 0 249.398 3.885 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000491055091 538489791 /nfs/dbraw/zinc/48/97/91/538489791.db2.gz FGMWELJJUBPVEF-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000491055093 538489797 /nfs/dbraw/zinc/48/97/97/538489797.db2.gz FGMWELJJUBPVEF-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000491060369 362847875 /nfs/dbraw/zinc/84/78/75/362847875.db2.gz WSNPMUHSKYVADV-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000491060371 362847979 /nfs/dbraw/zinc/84/79/79/362847979.db2.gz WSNPMUHSKYVADV-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[N@H+](Cc1cc(F)ccc1C)C1CC1 ZINC000491061243 528132301 /nfs/dbraw/zinc/13/23/01/528132301.db2.gz QLIPVSWPECUZEP-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)C1CCCC1 ZINC000491063863 534158677 /nfs/dbraw/zinc/15/86/77/534158677.db2.gz FACBUJWGUYSVSZ-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000491065566 534158188 /nfs/dbraw/zinc/15/81/88/534158188.db2.gz LGRHEARXYFZMPA-GFCCVEGCSA-N 1 0 223.335 3.610 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000491065568 534158836 /nfs/dbraw/zinc/15/88/36/534158836.db2.gz LGRHEARXYFZMPA-LBPRGKRZSA-N 1 0 223.335 3.610 20 0 BHADRO CC(C)OCCC[N@H+](C)CCC1CCCCC1 ZINC000491076641 388268329 /nfs/dbraw/zinc/26/83/29/388268329.db2.gz PLELUVGJOPBOQR-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491106599 225588155 /nfs/dbraw/zinc/58/81/55/225588155.db2.gz AQRUEPWLZHOKEM-AWEZNQCLSA-N 1 0 241.334 3.665 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491106602 388270326 /nfs/dbraw/zinc/27/03/26/388270326.db2.gz AQRUEPWLZHOKEM-CQSZACIVSA-N 1 0 241.334 3.665 20 0 BHADRO Cc1ccc(F)cc1C[N@H+](C)Cc1cccs1 ZINC000491107022 388270106 /nfs/dbraw/zinc/27/01/06/388270106.db2.gz DHRSVTYKKITKPN-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491109489 388269996 /nfs/dbraw/zinc/26/99/96/388269996.db2.gz KNXXNZRXOSZFMW-BXUZGUMPSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491109490 388270268 /nfs/dbraw/zinc/27/02/68/388270268.db2.gz KNXXNZRXOSZFMW-FZMZJTMJSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491109491 388270150 /nfs/dbraw/zinc/27/01/50/388270150.db2.gz KNXXNZRXOSZFMW-RISCZKNCSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491109492 388270557 /nfs/dbraw/zinc/27/05/57/388270557.db2.gz KNXXNZRXOSZFMW-SMDDNHRTSA-N 1 0 233.330 3.619 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000491110734 388270370 /nfs/dbraw/zinc/27/03/70/388270370.db2.gz DNBQIEARLBIIGP-GFCCVEGCSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000491110736 388270342 /nfs/dbraw/zinc/27/03/42/388270342.db2.gz DNBQIEARLBIIGP-LBPRGKRZSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)CC(C)(C)C ZINC000491111257 388270251 /nfs/dbraw/zinc/27/02/51/388270251.db2.gz FVCWYFKVFFBLJE-UHFFFAOYSA-N 1 0 223.335 3.612 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491112105 388270484 /nfs/dbraw/zinc/27/04/84/388270484.db2.gz XCLGRSNJWAUBGP-BXUZGUMPSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491112106 388270336 /nfs/dbraw/zinc/27/03/36/388270336.db2.gz XCLGRSNJWAUBGP-FZMZJTMJSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491112108 388270063 /nfs/dbraw/zinc/27/00/63/388270063.db2.gz XCLGRSNJWAUBGP-RISCZKNCSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491112109 388270280 /nfs/dbraw/zinc/27/02/80/388270280.db2.gz XCLGRSNJWAUBGP-SMDDNHRTSA-N 1 0 233.330 3.619 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCO[C@H](C)C1)C(C)C ZINC000491114412 388270422 /nfs/dbraw/zinc/27/04/22/388270422.db2.gz PBILCFHPMRKZID-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCO[C@@H](C)C1)C(C)C ZINC000491114413 388270080 /nfs/dbraw/zinc/27/00/80/388270080.db2.gz PBILCFHPMRKZID-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCO[C@H](C)C1)C(C)C ZINC000491114414 388269459 /nfs/dbraw/zinc/26/94/59/388269459.db2.gz PBILCFHPMRKZID-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C(C)C ZINC000491114415 388269549 /nfs/dbraw/zinc/26/95/49/388269549.db2.gz PBILCFHPMRKZID-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)C[N@H+](CC)C[C@@H]1CCO[C@@H](C)C1 ZINC000491115868 388270427 /nfs/dbraw/zinc/27/04/27/388270427.db2.gz SUMFHEMRPBZCOW-DZGCQCFKSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)C[N@H+](CC)C[C@H]1CCO[C@H](C)C1 ZINC000491115872 388270607 /nfs/dbraw/zinc/27/06/07/388270607.db2.gz SUMFHEMRPBZCOW-HIFRSBDPSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)C[N@H+](CC)C[C@@H]1CCO[C@H](C)C1 ZINC000491115873 388270508 /nfs/dbraw/zinc/27/05/08/388270508.db2.gz SUMFHEMRPBZCOW-UKRRQHHQSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)C[N@H+](CC)C[C@H]1CCO[C@@H](C)C1 ZINC000491115876 388270354 /nfs/dbraw/zinc/27/03/54/388270354.db2.gz SUMFHEMRPBZCOW-ZFWWWQNUSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491117853 388270532 /nfs/dbraw/zinc/27/05/32/388270532.db2.gz PUJXTGVRQYYGPN-CVEARBPZSA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491117858 388270309 /nfs/dbraw/zinc/27/03/09/388270309.db2.gz PUJXTGVRQYYGPN-HOTGVXAUSA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491117859 388270488 /nfs/dbraw/zinc/27/04/88/388270488.db2.gz PUJXTGVRQYYGPN-HZPDHXFCSA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491117860 388270561 /nfs/dbraw/zinc/27/05/61/388270561.db2.gz PUJXTGVRQYYGPN-JKSUJKDBSA-N 1 0 229.367 3.870 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491133959 388272774 /nfs/dbraw/zinc/27/27/74/388272774.db2.gz UUSLJYFVCYHWRO-AWEZNQCLSA-N 1 0 247.407 3.511 20 0 BHADRO c1ccc(SCC[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491133968 388272665 /nfs/dbraw/zinc/27/26/65/388272665.db2.gz UUSLJYFVCYHWRO-CQSZACIVSA-N 1 0 247.407 3.511 20 0 BHADRO CSCCC[N@H+](C(C)C)C1CCCCC1 ZINC000491134060 388272610 /nfs/dbraw/zinc/27/26/10/388272610.db2.gz VBIANYLZKSYFAU-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO Clc1ccccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491134870 388272875 /nfs/dbraw/zinc/27/28/75/388272875.db2.gz XHRBDKQSMPOLMS-GFCCVEGCSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1ccccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491134876 388272738 /nfs/dbraw/zinc/27/27/38/388272738.db2.gz XHRBDKQSMPOLMS-LBPRGKRZSA-N 1 0 235.758 3.572 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491135904 388272918 /nfs/dbraw/zinc/27/29/18/388272918.db2.gz ZVTWHGSVLNNQCL-AWEZNQCLSA-N 1 0 247.407 3.640 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491135906 388272769 /nfs/dbraw/zinc/27/27/69/388272769.db2.gz ZVTWHGSVLNNQCL-CQSZACIVSA-N 1 0 247.407 3.640 20 0 BHADRO Cc1ccc(F)cc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000491139595 388272564 /nfs/dbraw/zinc/27/25/64/388272564.db2.gz QTTPGBWIWRXBPW-UHFFFAOYSA-N 1 0 247.357 3.755 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491141290 388272561 /nfs/dbraw/zinc/27/25/61/388272561.db2.gz QUOOGLZHUGHVDS-DZGCQCFKSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491141293 388272855 /nfs/dbraw/zinc/27/28/55/388272855.db2.gz QUOOGLZHUGHVDS-HIFRSBDPSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491141915 388272911 /nfs/dbraw/zinc/27/29/11/388272911.db2.gz QUOOGLZHUGHVDS-UKRRQHHQSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491141918 388272756 /nfs/dbraw/zinc/27/27/56/388272756.db2.gz QUOOGLZHUGHVDS-ZFWWWQNUSA-N 1 0 229.367 3.788 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)s1 ZINC000491142509 388272707 /nfs/dbraw/zinc/27/27/07/388272707.db2.gz ZJWDWMFHAUEIBU-JTQLQIEISA-N 1 0 241.787 3.633 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)s1 ZINC000491142525 388272439 /nfs/dbraw/zinc/27/24/39/388272439.db2.gz ZJWDWMFHAUEIBU-SNVBAGLBSA-N 1 0 241.787 3.633 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000491147633 388273655 /nfs/dbraw/zinc/27/36/55/388273655.db2.gz PXHXSBQJIXLTOK-AWEZNQCLSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000491147634 388273383 /nfs/dbraw/zinc/27/33/83/388273383.db2.gz PXHXSBQJIXLTOK-CQSZACIVSA-N 1 0 221.319 3.509 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C2CC2)C1)c1ccccc1 ZINC000491162391 388273772 /nfs/dbraw/zinc/27/37/72/388273772.db2.gz NSJJXYZFYZBBHL-BBRMVZONSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C2CC2)C1)c1ccccc1 ZINC000491162392 388273624 /nfs/dbraw/zinc/27/36/24/388273624.db2.gz NSJJXYZFYZBBHL-CJNGLKHVSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C2CC2)C1)c1ccccc1 ZINC000491162393 388273376 /nfs/dbraw/zinc/27/33/76/388273376.db2.gz NSJJXYZFYZBBHL-CZUORRHYSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C2CC2)C1)c1ccccc1 ZINC000491162394 388273579 /nfs/dbraw/zinc/27/35/79/388273579.db2.gz NSJJXYZFYZBBHL-XJKSGUPXSA-N 1 0 229.367 3.522 20 0 BHADRO CC(C)OCCC[N@H+](C(C)C)C1CCCCC1 ZINC000491172180 388274509 /nfs/dbraw/zinc/27/45/09/388274509.db2.gz BYCMJPIDVFQQOK-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491173489 388274179 /nfs/dbraw/zinc/27/41/79/388274179.db2.gz MMEMNXZTXZSZEE-PBHICJAKSA-N 1 0 243.394 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491173508 388274555 /nfs/dbraw/zinc/27/45/55/388274555.db2.gz MMEMNXZTXZSZEE-RHSMWYFYSA-N 1 0 243.394 3.740 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491173511 388274252 /nfs/dbraw/zinc/27/42/52/388274252.db2.gz MMEMNXZTXZSZEE-WMLDXEAASA-N 1 0 243.394 3.740 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491173513 388274001 /nfs/dbraw/zinc/27/40/01/388274001.db2.gz MMEMNXZTXZSZEE-YOEHRIQHSA-N 1 0 243.394 3.740 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491174095 388274173 /nfs/dbraw/zinc/27/41/73/388274173.db2.gz PIAHITUTUQAIAZ-BBRMVZONSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491174096 388273983 /nfs/dbraw/zinc/27/39/83/388273983.db2.gz PIAHITUTUQAIAZ-CJNGLKHVSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491174097 388274325 /nfs/dbraw/zinc/27/43/25/388274325.db2.gz PIAHITUTUQAIAZ-CZUORRHYSA-N 1 0 229.367 3.788 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491174098 388273968 /nfs/dbraw/zinc/27/39/68/388273968.db2.gz PIAHITUTUQAIAZ-XJKSGUPXSA-N 1 0 229.367 3.788 20 0 BHADRO CC(C)[N@H+](CCC(F)(F)F)C1CCCCC1 ZINC000491175004 388274586 /nfs/dbraw/zinc/27/45/86/388274586.db2.gz UBVCQFUISIZMHG-UHFFFAOYSA-N 1 0 237.309 3.982 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491187147 388275641 /nfs/dbraw/zinc/27/56/41/388275641.db2.gz QKVBCTZHJGEBKY-DOTOQJQBSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491187148 388275475 /nfs/dbraw/zinc/27/54/75/388275475.db2.gz QKVBCTZHJGEBKY-NVXWUHKLSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491187149 388275546 /nfs/dbraw/zinc/27/55/46/388275546.db2.gz QKVBCTZHJGEBKY-RDJZCZTQSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491187150 388276107 /nfs/dbraw/zinc/27/61/07/388276107.db2.gz QKVBCTZHJGEBKY-WBVHZDCISA-N 1 0 241.378 3.796 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(F)ccc1C ZINC000491217210 388278032 /nfs/dbraw/zinc/27/80/32/388278032.db2.gz NUWBZLBVJFLRIA-UHFFFAOYSA-N 1 0 223.335 3.755 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491230936 388278787 /nfs/dbraw/zinc/27/87/87/388278787.db2.gz DAPMNBVGEDPWLX-INIZCTEOSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491230940 388278666 /nfs/dbraw/zinc/27/86/66/388278666.db2.gz DAPMNBVGEDPWLX-MRXNPFEDSA-N 1 0 229.367 3.535 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](C3CC3)C1)CC2 ZINC000491232407 388278491 /nfs/dbraw/zinc/27/84/91/388278491.db2.gz MEHDHTQLYABIHX-BBRMVZONSA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](C3CC3)C1)CC2 ZINC000491232408 388278549 /nfs/dbraw/zinc/27/85/49/388278549.db2.gz MEHDHTQLYABIHX-CJNGLKHVSA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](C3CC3)C1)CC2 ZINC000491232409 388278389 /nfs/dbraw/zinc/27/83/89/388278389.db2.gz MEHDHTQLYABIHX-CZUORRHYSA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](C3CC3)C1)CC2 ZINC000491232410 388278409 /nfs/dbraw/zinc/27/84/09/388278409.db2.gz MEHDHTQLYABIHX-XJKSGUPXSA-N 1 0 245.341 3.545 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491255365 388280906 /nfs/dbraw/zinc/28/09/06/388280906.db2.gz NJNNSWZANKQAEB-AAEUAGOBSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491255374 388280882 /nfs/dbraw/zinc/28/08/82/388280882.db2.gz NJNNSWZANKQAEB-DGCLKSJQSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491255376 388280829 /nfs/dbraw/zinc/28/08/29/388280829.db2.gz NJNNSWZANKQAEB-WCQYABFASA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491255378 388280877 /nfs/dbraw/zinc/28/08/77/388280877.db2.gz NJNNSWZANKQAEB-YPMHNXCESA-N 1 0 233.330 3.619 20 0 BHADRO CC(C)[N@H+](CCC1CC1)C1CCCCC1 ZINC000491276338 388281226 /nfs/dbraw/zinc/28/12/26/388281226.db2.gz DNXKXYZFVWFWQW-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491280468 388281732 /nfs/dbraw/zinc/28/17/32/388281732.db2.gz ZPTQJLFOQLKEIR-HNNXBMFYSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491280469 388282100 /nfs/dbraw/zinc/28/21/00/388282100.db2.gz ZPTQJLFOQLKEIR-OAHLLOKOSA-N 1 0 229.367 3.535 20 0 BHADRO CC(C)[N@H+](CC1CCC1)C1CCCCC1 ZINC000491287889 388282318 /nfs/dbraw/zinc/28/23/18/388282318.db2.gz BVHBUESHSRCKHA-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CCSCC[N@H+](C(C)C)C1CCCCC1 ZINC000491289910 388283210 /nfs/dbraw/zinc/28/32/10/388283210.db2.gz UPVRSDJRJWANTL-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491300304 388284010 /nfs/dbraw/zinc/28/40/10/388284010.db2.gz HINRKWSOOKQAHC-CYBMUJFWSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491300305 388283815 /nfs/dbraw/zinc/28/38/15/388283815.db2.gz HINRKWSOOKQAHC-ZDUSSCGKSA-N 1 0 235.758 3.572 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491300980 411392439 /nfs/dbraw/zinc/39/24/39/411392439.db2.gz QPMMZYNUXDNWBO-HNNXBMFYSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491300981 411392219 /nfs/dbraw/zinc/39/22/19/411392219.db2.gz QPMMZYNUXDNWBO-OAHLLOKOSA-N 1 0 229.367 3.535 20 0 BHADRO CC(C)(C)OC1CC([NH2+]C2CCCCCC2)C1 ZINC000491316939 388285011 /nfs/dbraw/zinc/28/50/11/388285011.db2.gz NGHNRZFLFQLQQZ-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO CC(C)(C)OC1CC([NH2+]CCC2CCCC2)C1 ZINC000491328230 388285985 /nfs/dbraw/zinc/28/59/85/388285985.db2.gz FWUJVIUDERZGNS-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@@H](C)O1 ZINC000491357703 388288097 /nfs/dbraw/zinc/28/80/97/388288097.db2.gz AZDIDKAPJVEKLC-IIAWOOMASA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@@H](C)O1 ZINC000491357704 388287962 /nfs/dbraw/zinc/28/79/62/388287962.db2.gz AZDIDKAPJVEKLC-IJEWVQPXSA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H](C)O1 ZINC000491357705 388287932 /nfs/dbraw/zinc/28/79/32/388287932.db2.gz AZDIDKAPJVEKLC-OFQRWUPVSA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H](C)O1 ZINC000491357706 388288149 /nfs/dbraw/zinc/28/81/49/388288149.db2.gz AZDIDKAPJVEKLC-SQWLQELKSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000491358173 388288272 /nfs/dbraw/zinc/28/82/72/388288272.db2.gz DFZIZQWZRMYFDY-HZMBPMFUSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000491358174 388288249 /nfs/dbraw/zinc/28/82/49/388288249.db2.gz DFZIZQWZRMYFDY-IINYFYTJSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000491358175 388288240 /nfs/dbraw/zinc/28/82/40/388288240.db2.gz DFZIZQWZRMYFDY-QMTHXVAHSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000491358176 388288173 /nfs/dbraw/zinc/28/81/73/388288173.db2.gz DFZIZQWZRMYFDY-YGRLFVJLSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](C)C1 ZINC000491375835 388289670 /nfs/dbraw/zinc/28/96/70/388289670.db2.gz PAEDZLQJZAFVLI-CHWSQXEVSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](C)C1 ZINC000491375836 388289627 /nfs/dbraw/zinc/28/96/27/388289627.db2.gz PAEDZLQJZAFVLI-OLZOCXBDSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](C)C1 ZINC000491376133 388289794 /nfs/dbraw/zinc/28/97/94/388289794.db2.gz PAEDZLQJZAFVLI-QWHCGFSZSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](C)C1 ZINC000491376134 388289622 /nfs/dbraw/zinc/28/96/22/388289622.db2.gz PAEDZLQJZAFVLI-STQMWFEESA-N 1 0 229.367 3.578 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000491377346 388289691 /nfs/dbraw/zinc/28/96/91/388289691.db2.gz WXRLJQSOKLFROW-KBPBESRZSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000491377347 388289923 /nfs/dbraw/zinc/28/99/23/388289923.db2.gz WXRLJQSOKLFROW-KGLIPLIRSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000491377348 388289683 /nfs/dbraw/zinc/28/96/83/388289683.db2.gz WXRLJQSOKLFROW-UONOGXRCSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000491377349 225646594 /nfs/dbraw/zinc/64/65/94/225646594.db2.gz WXRLJQSOKLFROW-ZIAGYGMSSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000491379710 388290339 /nfs/dbraw/zinc/29/03/39/388290339.db2.gz JNWBAYNZLFJBSF-ABXWRUBCSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000491379711 388290101 /nfs/dbraw/zinc/29/01/01/388290101.db2.gz JNWBAYNZLFJBSF-BLYZHGLHSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000491379712 388290325 /nfs/dbraw/zinc/29/03/25/388290325.db2.gz JNWBAYNZLFJBSF-GFJIZPEISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000491379713 388290166 /nfs/dbraw/zinc/29/01/66/388290166.db2.gz JNWBAYNZLFJBSF-RYSNWHEDSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000491383701 388290861 /nfs/dbraw/zinc/29/08/61/388290861.db2.gz SOCRFMXMEZKUCH-GRTSSRMGSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000491383702 388290801 /nfs/dbraw/zinc/29/08/01/388290801.db2.gz SOCRFMXMEZKUCH-LRVUVFPRSA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC(F)(F)F ZINC000491397755 388291812 /nfs/dbraw/zinc/29/18/12/388291812.db2.gz DPMJWRBPSHVKAU-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(F)(F)F ZINC000491397756 388291763 /nfs/dbraw/zinc/29/17/63/388291763.db2.gz DPMJWRBPSHVKAU-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC(F)(F)F ZINC000491397757 388292080 /nfs/dbraw/zinc/29/20/80/388292080.db2.gz DPMJWRBPSHVKAU-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCC(F)(F)F ZINC000491397758 388291806 /nfs/dbraw/zinc/29/18/06/388291806.db2.gz DPMJWRBPSHVKAU-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491398079 388291854 /nfs/dbraw/zinc/29/18/54/388291854.db2.gz DZBOZSBMKAVMTF-CVEARBPZSA-N 1 0 247.357 3.546 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491398080 388291707 /nfs/dbraw/zinc/29/17/07/388291707.db2.gz DZBOZSBMKAVMTF-HOTGVXAUSA-N 1 0 247.357 3.546 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491398081 388292070 /nfs/dbraw/zinc/29/20/70/388292070.db2.gz DZBOZSBMKAVMTF-HZPDHXFCSA-N 1 0 247.357 3.546 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491398082 534437210 /nfs/dbraw/zinc/43/72/10/534437210.db2.gz DZBOZSBMKAVMTF-JKSUJKDBSA-N 1 0 247.357 3.546 20 0 BHADRO CC(C)(C)OC1CC([NH2+]CC2CCCCC2)C1 ZINC000491398444 526540994 /nfs/dbraw/zinc/54/09/94/526540994.db2.gz SXGJGPFPVSLSTB-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]Cc1occc1C ZINC000491411803 388292878 /nfs/dbraw/zinc/29/28/78/388292878.db2.gz AYBFKPFNCPPIBL-JLHYYAGUSA-N 1 0 241.334 3.781 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]Cc1occc1C ZINC000491411804 388292992 /nfs/dbraw/zinc/29/29/92/388292992.db2.gz AYBFKPFNCPPIBL-RAXLEYEMSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000491415513 398042029 /nfs/dbraw/zinc/04/20/29/398042029.db2.gz QEHKSWPHEMHZFG-GXTWGEPZSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000491415514 398041876 /nfs/dbraw/zinc/04/18/76/398041876.db2.gz QEHKSWPHEMHZFG-JSGCOSHPSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000491415515 225656564 /nfs/dbraw/zinc/65/65/64/225656564.db2.gz QEHKSWPHEMHZFG-OCCSQVGLSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000491415516 398041850 /nfs/dbraw/zinc/04/18/50/398041850.db2.gz QEHKSWPHEMHZFG-TZMCWYRMSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1ccoc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000491421703 388293132 /nfs/dbraw/zinc/29/31/32/388293132.db2.gz ZHTLWCFEEQNWCF-IHWYPQMZSA-N 1 0 245.297 3.530 20 0 BHADRO Cc1ccoc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000491421708 388293457 /nfs/dbraw/zinc/29/34/57/388293457.db2.gz ZHTLWCFEEQNWCF-NSCUHMNNSA-N 1 0 245.297 3.530 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CC2CC2)c(C)c1 ZINC000491485130 388298089 /nfs/dbraw/zinc/29/80/89/388298089.db2.gz LSUBSIOQLHZTHS-UHFFFAOYSA-N 1 0 231.383 3.581 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2occc2C)c1 ZINC000491488607 385000685 /nfs/dbraw/zinc/00/06/85/385000685.db2.gz WZGBKTDXAFTETD-UHFFFAOYSA-N 1 0 243.350 3.830 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc2occc2c1 ZINC000491512180 398045116 /nfs/dbraw/zinc/04/51/16/398045116.db2.gz MUSWIOLFFNDRJO-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO Clc1ccc(CC2([NH2+]CC3CC3)CCC2)cc1 ZINC000491578881 534638511 /nfs/dbraw/zinc/63/85/11/534638511.db2.gz KXQBXKSRTOBMGX-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO FC1(F)CCCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000491581168 388304565 /nfs/dbraw/zinc/30/45/65/388304565.db2.gz JREKLIOYGBYLNN-LLVKDONJSA-N 1 0 243.297 3.585 20 0 BHADRO FC1(F)CCCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000491581169 388304561 /nfs/dbraw/zinc/30/45/61/388304561.db2.gz JREKLIOYGBYLNN-NSHDSACASA-N 1 0 243.297 3.585 20 0 BHADRO Fc1cc(C2CC2)ccc1C[NH2+]C1CCCC1 ZINC000491583447 388304567 /nfs/dbraw/zinc/30/45/67/388304567.db2.gz JMWNDOOIBJQOSH-UHFFFAOYSA-N 1 0 233.330 3.735 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000491584502 388304609 /nfs/dbraw/zinc/30/46/09/388304609.db2.gz UQUAXHRXSNLQQD-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000491584503 388304462 /nfs/dbraw/zinc/30/44/62/388304462.db2.gz UQUAXHRXSNLQQD-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000491584504 388304483 /nfs/dbraw/zinc/30/44/83/388304483.db2.gz UQUAXHRXSNLQQD-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000491584505 534256323 /nfs/dbraw/zinc/25/63/23/534256323.db2.gz UQUAXHRXSNLQQD-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000491585143 388304488 /nfs/dbraw/zinc/30/44/88/388304488.db2.gz AQIPEQNDEQRQPC-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000491585144 388304367 /nfs/dbraw/zinc/30/43/67/388304367.db2.gz AQIPEQNDEQRQPC-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000491585145 388304494 /nfs/dbraw/zinc/30/44/94/388304494.db2.gz AQIPEQNDEQRQPC-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000491585146 388304430 /nfs/dbraw/zinc/30/44/30/388304430.db2.gz AQIPEQNDEQRQPC-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000491585381 388304455 /nfs/dbraw/zinc/30/44/55/388304455.db2.gz CJYBDEGDZZALEH-UHFFFAOYSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CC1 ZINC000491596557 388304723 /nfs/dbraw/zinc/30/47/23/388304723.db2.gz LSYOWXJJJQDLDQ-JTQLQIEISA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)C1CC1 ZINC000491596558 388304849 /nfs/dbraw/zinc/30/48/49/388304849.db2.gz LSYOWXJJJQDLDQ-SNVBAGLBSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)CCC1 ZINC000491597059 388253619 /nfs/dbraw/zinc/25/36/19/388253619.db2.gz QUIDNSYOPVXFGE-GFCCVEGCSA-N 1 0 245.357 3.982 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCCC(F)(F)C2)CCC1 ZINC000491597060 388254179 /nfs/dbraw/zinc/25/41/79/388254179.db2.gz QUIDNSYOPVXFGE-LBPRGKRZSA-N 1 0 245.357 3.982 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC000491599306 388304729 /nfs/dbraw/zinc/30/47/29/388304729.db2.gz QAOLXQVQRGCUPD-AAEUAGOBSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC000491599307 388304678 /nfs/dbraw/zinc/30/46/78/388304678.db2.gz QAOLXQVQRGCUPD-DGCLKSJQSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC000491599308 388304701 /nfs/dbraw/zinc/30/47/01/388304701.db2.gz QAOLXQVQRGCUPD-WCQYABFASA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC000491599309 388304704 /nfs/dbraw/zinc/30/47/04/388304704.db2.gz QAOLXQVQRGCUPD-YPMHNXCESA-N 1 0 243.341 3.614 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CCCC1 ZINC000491821431 388324107 /nfs/dbraw/zinc/32/41/07/388324107.db2.gz SAVKXNBXFJVJFX-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCCC1 ZINC000491821432 388324200 /nfs/dbraw/zinc/32/42/00/388324200.db2.gz SAVKXNBXFJVJFX-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCCC1 ZINC000491821433 388324124 /nfs/dbraw/zinc/32/41/24/388324124.db2.gz SAVKXNBXFJVJFX-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CCCC1 ZINC000491821434 388324014 /nfs/dbraw/zinc/32/40/14/388324014.db2.gz SAVKXNBXFJVJFX-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC000491841898 225853308 /nfs/dbraw/zinc/85/33/08/225853308.db2.gz CKPATPDYQYGRCG-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC000491841901 388324624 /nfs/dbraw/zinc/32/46/24/388324624.db2.gz CKPATPDYQYGRCG-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC000491841903 388324717 /nfs/dbraw/zinc/32/47/17/388324717.db2.gz CKPATPDYQYGRCG-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC000491841905 225853513 /nfs/dbraw/zinc/85/35/13/225853513.db2.gz CKPATPDYQYGRCG-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCC(C)C ZINC000491854905 225858432 /nfs/dbraw/zinc/85/84/32/225858432.db2.gz UTNIHNFFQXEDKN-GDBMZVCRSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCC(C)C ZINC000491854906 388324875 /nfs/dbraw/zinc/32/48/75/388324875.db2.gz UTNIHNFFQXEDKN-GOEBONIOSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC(C)C ZINC000491854907 225858475 /nfs/dbraw/zinc/85/84/75/225858475.db2.gz UTNIHNFFQXEDKN-HOCLYGCPSA-N 1 0 249.398 3.788 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC(C)C ZINC000491854908 225857886 /nfs/dbraw/zinc/85/78/86/225857886.db2.gz UTNIHNFFQXEDKN-ZBFHGGJFSA-N 1 0 249.398 3.788 20 0 BHADRO Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1C ZINC000491857626 388325062 /nfs/dbraw/zinc/32/50/62/388325062.db2.gz ZCKIICMQAOWQMI-GFCCVEGCSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C ZINC000491857627 388324850 /nfs/dbraw/zinc/32/48/50/388324850.db2.gz ZCKIICMQAOWQMI-LBPRGKRZSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)cc1C[N@H+](C)Cc1ccccc1 ZINC000491954162 388329615 /nfs/dbraw/zinc/32/96/15/388329615.db2.gz CRMVNARQXOVJGK-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO CCCC[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000492054152 388333194 /nfs/dbraw/zinc/33/31/94/388333194.db2.gz KCFPHEZZILSEHO-AAEUAGOBSA-N 1 0 221.344 3.635 20 0 BHADRO CCCC[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000492054153 388333143 /nfs/dbraw/zinc/33/31/43/388333143.db2.gz KCFPHEZZILSEHO-DGCLKSJQSA-N 1 0 221.344 3.635 20 0 BHADRO CCCC[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000492054154 388333043 /nfs/dbraw/zinc/33/30/43/388333043.db2.gz KCFPHEZZILSEHO-WCQYABFASA-N 1 0 221.344 3.635 20 0 BHADRO CCCC[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000492054155 388333061 /nfs/dbraw/zinc/33/30/61/388333061.db2.gz KCFPHEZZILSEHO-YPMHNXCESA-N 1 0 221.344 3.635 20 0 BHADRO CCC[N@H+](CCCOC(C)C)Cc1ccccc1 ZINC000492056487 388333137 /nfs/dbraw/zinc/33/31/37/388333137.db2.gz WZGYXPCBRSNCAY-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCCOC(C)C)c(C)c1 ZINC000492093594 533871804 /nfs/dbraw/zinc/87/18/04/533871804.db2.gz GKGRPCDMQWOKDJ-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CC(C)([NH2+]CC1CCCC1)c1ccccc1F ZINC000492102515 388334907 /nfs/dbraw/zinc/33/49/07/388334907.db2.gz FNVVEFILQCTAKP-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000492166592 388337151 /nfs/dbraw/zinc/33/71/51/388337151.db2.gz FLLRUFRYESDDBC-ZDUSSCGKSA-N 1 0 205.345 3.788 20 0 BHADRO CCC(CC)C[N@H+](CC)CCCOC(C)C ZINC000492170133 388337325 /nfs/dbraw/zinc/33/73/25/388337325.db2.gz UOUIUFGWOWWRRM-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CCCOC(C)C)cc1 ZINC000492170962 388337235 /nfs/dbraw/zinc/33/72/35/388337235.db2.gz YLHDRYAKAJHEFA-HNNXBMFYSA-N 1 0 249.398 3.803 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CCCOC(C)C)cc1 ZINC000492170964 388337348 /nfs/dbraw/zinc/33/73/48/388337348.db2.gz YLHDRYAKAJHEFA-OAHLLOKOSA-N 1 0 249.398 3.803 20 0 BHADRO CC[N@H+](CCCOC(C)C)Cc1ccccc1C ZINC000492194989 388338102 /nfs/dbraw/zinc/33/81/02/388338102.db2.gz NBYWFHGBDOMGGI-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+](C)CCCOC(C)C ZINC000492210575 388338330 /nfs/dbraw/zinc/33/83/30/388338330.db2.gz YBNBRMUXJGLHRP-HNNXBMFYSA-N 1 0 249.398 3.803 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCOC(C)C ZINC000492210576 225957011 /nfs/dbraw/zinc/95/70/11/225957011.db2.gz YBNBRMUXJGLHRP-OAHLLOKOSA-N 1 0 249.398 3.803 20 0 BHADRO CCCCC[N@H+](CCCOC(C)C)C(C)C ZINC000492219691 388338529 /nfs/dbraw/zinc/33/85/29/388338529.db2.gz JSERALINLOHRJA-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO CCC(CC)(C[NH2+]C1CCC2(CC2)CC1)OC ZINC000492223346 388338707 /nfs/dbraw/zinc/33/87/07/388338707.db2.gz HIQSQZYWFYCICG-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000492271209 528804811 /nfs/dbraw/zinc/80/48/11/528804811.db2.gz FXXZNRZNAULIBJ-DOMZBBRYSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000492271210 388339888 /nfs/dbraw/zinc/33/98/88/388339888.db2.gz FXXZNRZNAULIBJ-IUODEOHRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000492271211 388339895 /nfs/dbraw/zinc/33/98/95/388339895.db2.gz FXXZNRZNAULIBJ-SWLSCSKDSA-N 1 0 235.371 3.541 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000492271212 388339990 /nfs/dbraw/zinc/33/99/90/388339990.db2.gz FXXZNRZNAULIBJ-WFASDCNBSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000492277060 388340082 /nfs/dbraw/zinc/34/00/82/388340082.db2.gz RWHAPVALGWTMDY-BPUTZDHNSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000492277061 388340178 /nfs/dbraw/zinc/34/01/78/388340178.db2.gz RWHAPVALGWTMDY-CWRNSKLLSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000492277062 388340113 /nfs/dbraw/zinc/34/01/13/388340113.db2.gz RWHAPVALGWTMDY-KBMXLJTQSA-N 1 0 249.398 3.931 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000492277064 388340292 /nfs/dbraw/zinc/34/02/92/388340292.db2.gz RWHAPVALGWTMDY-VNQPRFMTSA-N 1 0 249.398 3.931 20 0 BHADRO CCCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492308334 388341165 /nfs/dbraw/zinc/34/11/65/388341165.db2.gz LMKJKVUFTRUKJI-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO C[N@@H+](CCc1ccc(Cl)cc1)CCC1CC1 ZINC000492421121 388343890 /nfs/dbraw/zinc/34/38/90/388343890.db2.gz GYTBGYDRPFQELA-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1)c1ccccc1F ZINC000492443218 527295783 /nfs/dbraw/zinc/29/57/83/527295783.db2.gz RBTQTUXUFHHGKP-UHFFFAOYSA-N 1 0 243.325 3.851 20 0 BHADRO C[N@H+](CCc1ccc(Cl)cc1)CC1CCC1 ZINC000492469909 529932795 /nfs/dbraw/zinc/93/27/95/529932795.db2.gz YSRYXIHTBCMEOW-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO FC1=CCC[N@H+](CCC2CCCCC2)C1 ZINC000492727174 226042756 /nfs/dbraw/zinc/04/27/56/226042756.db2.gz GQRXJMLGSNKVTR-UHFFFAOYSA-N 1 0 211.324 3.516 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000492867276 528868369 /nfs/dbraw/zinc/86/83/69/528868369.db2.gz BENDTHRNDODVIY-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000492867277 528870392 /nfs/dbraw/zinc/87/03/92/528870392.db2.gz BENDTHRNDODVIY-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000492867278 528868380 /nfs/dbraw/zinc/86/83/80/528868380.db2.gz BENDTHRNDODVIY-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000492867279 528870280 /nfs/dbraw/zinc/87/02/80/528870280.db2.gz BENDTHRNDODVIY-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000492875965 529002973 /nfs/dbraw/zinc/00/29/73/529002973.db2.gz UTNVSOJKNITGSU-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000492875966 528868550 /nfs/dbraw/zinc/86/85/50/528868550.db2.gz UTNVSOJKNITGSU-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000492875967 529005045 /nfs/dbraw/zinc/00/50/45/529005045.db2.gz UTNVSOJKNITGSU-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000492875968 528874139 /nfs/dbraw/zinc/87/41/39/528874139.db2.gz UTNVSOJKNITGSU-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CSCCC[NH+](C(C)C)C(C)C ZINC000492877788 528210051 /nfs/dbraw/zinc/21/00/51/528210051.db2.gz LWKYCZOTSSQAHK-UHFFFAOYSA-N 1 0 231.449 3.885 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)CCCc1cccc(F)c1 ZINC000492877812 533585443 /nfs/dbraw/zinc/58/54/43/533585443.db2.gz MHHWAKRJJSTKDQ-CYBMUJFWSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)CCCc1cccc(F)c1 ZINC000492877813 533385160 /nfs/dbraw/zinc/38/51/60/533385160.db2.gz MHHWAKRJJSTKDQ-ZDUSSCGKSA-N 1 0 249.373 3.879 20 0 BHADRO CC(C)(C)OCCCC[NH2+][C@@H]1CCCC1(C)C ZINC000492884675 526550724 /nfs/dbraw/zinc/55/07/24/526550724.db2.gz CDSJDWQBKKQUBQ-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)(C)OCCCC[NH2+][C@H]1CCCC1(C)C ZINC000492884676 526551783 /nfs/dbraw/zinc/55/17/83/526551783.db2.gz CDSJDWQBKKQUBQ-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)[NH+](CCOC1CCCCCC1)C(C)C ZINC000492893947 711440254 /nfs/dbraw/zinc/44/02/54/711440254.db2.gz PFCOSEFRWCYKCN-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO CC(C)[NH+](CCCc1cccc(F)c1)C(C)C ZINC000492893994 528886879 /nfs/dbraw/zinc/88/68/79/528886879.db2.gz PVLJJMMNKPOBOI-UHFFFAOYSA-N 1 0 237.362 3.877 20 0 BHADRO CC(C)[NH+](CCO[C@H]1CCCC[C@H]1C)C(C)C ZINC000492936448 528911230 /nfs/dbraw/zinc/91/12/30/528911230.db2.gz LZKWTBJENIXKNP-CABCVRRESA-N 1 0 241.419 3.701 20 0 BHADRO CC(C)[NH+](CCO[C@H]1CCCC[C@@H]1C)C(C)C ZINC000492936449 528910141 /nfs/dbraw/zinc/91/01/41/528910141.db2.gz LZKWTBJENIXKNP-GJZGRUSLSA-N 1 0 241.419 3.701 20 0 BHADRO CC(C)[NH+](CCO[C@@H]1CCCC[C@H]1C)C(C)C ZINC000492936450 528910567 /nfs/dbraw/zinc/91/05/67/528910567.db2.gz LZKWTBJENIXKNP-HUUCEWRRSA-N 1 0 241.419 3.701 20 0 BHADRO CC(C)[NH+](CCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000492936451 528911227 /nfs/dbraw/zinc/91/12/27/528911227.db2.gz LZKWTBJENIXKNP-LSDHHAIUSA-N 1 0 241.419 3.701 20 0 BHADRO CC(C)[NH+](CCc1ccc(F)c(F)c1)C(C)C ZINC000492937747 528913422 /nfs/dbraw/zinc/91/34/22/528913422.db2.gz UCBCZCPWXALBBZ-UHFFFAOYSA-N 1 0 241.325 3.626 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCC=C(F)C1 ZINC000492973962 533992742 /nfs/dbraw/zinc/99/27/42/533992742.db2.gz VFFPCOSJEFBXKD-CYBMUJFWSA-N 1 0 233.330 3.567 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC=C(F)C1 ZINC000492973963 533673918 /nfs/dbraw/zinc/67/39/18/533673918.db2.gz VFFPCOSJEFBXKD-ZDUSSCGKSA-N 1 0 233.330 3.567 20 0 BHADRO CC(C)[NH+](CCCCC(F)(F)F)C(C)C ZINC000492997344 528880297 /nfs/dbraw/zinc/88/02/97/528880297.db2.gz YXTHKRZPUUQBIM-UHFFFAOYSA-N 1 0 225.298 3.838 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)CCCO)C(C)(C)C ZINC000493052911 527849038 /nfs/dbraw/zinc/84/90/38/527849038.db2.gz FVUGDUVHJADICR-KBPBESRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)CCCO)C(C)(C)C ZINC000493052917 527850214 /nfs/dbraw/zinc/85/02/14/527850214.db2.gz FVUGDUVHJADICR-KGLIPLIRSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H](C)CCCO)C(C)(C)C ZINC000493052919 527810749 /nfs/dbraw/zinc/81/07/49/527810749.db2.gz FVUGDUVHJADICR-UONOGXRCSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H](C)CCCO)C(C)(C)C ZINC000493052920 527812761 /nfs/dbraw/zinc/81/27/61/527812761.db2.gz FVUGDUVHJADICR-ZIAGYGMSSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493061398 529228497 /nfs/dbraw/zinc/22/84/97/529228497.db2.gz REXGTLUMDXVHPG-ABXWRUBCSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493061399 529321800 /nfs/dbraw/zinc/32/18/00/529321800.db2.gz REXGTLUMDXVHPG-BLYZHGLHSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493061400 529234696 /nfs/dbraw/zinc/23/46/96/529234696.db2.gz REXGTLUMDXVHPG-GFJIZPEISA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493061401 529311840 /nfs/dbraw/zinc/31/18/40/529311840.db2.gz REXGTLUMDXVHPG-RYSNWHEDSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)(C)OC1CC([NH2+][C@H]2CCCC2(C)C)C1 ZINC000493062217 526540863 /nfs/dbraw/zinc/54/08/63/526540863.db2.gz SOOZVIUOKAXIRY-BPCQOVAHSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)(C)OC1CC([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000493062218 526540771 /nfs/dbraw/zinc/54/07/71/526540771.db2.gz SOOZVIUOKAXIRY-WXRRBKDZSA-N 1 0 239.403 3.501 20 0 BHADRO CSCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000493102841 533572216 /nfs/dbraw/zinc/57/22/16/533572216.db2.gz GIVJBXRUQMBAEA-DOMZBBRYSA-N 1 0 249.423 3.571 20 0 BHADRO CSCCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000493102842 533572290 /nfs/dbraw/zinc/57/22/90/533572290.db2.gz GIVJBXRUQMBAEA-IUODEOHRSA-N 1 0 249.423 3.571 20 0 BHADRO CSCCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000493102843 533572034 /nfs/dbraw/zinc/57/20/34/533572034.db2.gz GIVJBXRUQMBAEA-SWLSCSKDSA-N 1 0 249.423 3.571 20 0 BHADRO CSCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000493102844 533572466 /nfs/dbraw/zinc/57/24/66/533572466.db2.gz GIVJBXRUQMBAEA-WFASDCNBSA-N 1 0 249.423 3.571 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCCCC1 ZINC000493787731 226254120 /nfs/dbraw/zinc/25/41/20/226254120.db2.gz CHYNUTKDJDNHHD-BBRMVZONSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCCCC1 ZINC000493787748 226254140 /nfs/dbraw/zinc/25/41/40/226254140.db2.gz CHYNUTKDJDNHHD-CJNGLKHVSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCCCC1 ZINC000493787751 226254234 /nfs/dbraw/zinc/25/42/34/226254234.db2.gz CHYNUTKDJDNHHD-CZUORRHYSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCCCC1 ZINC000493787752 226254097 /nfs/dbraw/zinc/25/40/97/226254097.db2.gz CHYNUTKDJDNHHD-XJKSGUPXSA-N 1 0 247.382 3.685 20 0 BHADRO CCC1(C)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000493884345 529022721 /nfs/dbraw/zinc/02/27/21/529022721.db2.gz XWWNTJSNRANJOT-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1(C)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000493884346 529022476 /nfs/dbraw/zinc/02/24/76/529022476.db2.gz XWWNTJSNRANJOT-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000493890679 226258544 /nfs/dbraw/zinc/25/85/44/226258544.db2.gz GKQBGRJGGDCKRN-DZKIICNBSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000493890680 226258512 /nfs/dbraw/zinc/25/85/12/226258512.db2.gz GKQBGRJGGDCKRN-FMKPAKJESA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000493890681 226258577 /nfs/dbraw/zinc/25/85/77/226258577.db2.gz GKQBGRJGGDCKRN-LZWOXQAQSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000493890682 226258680 /nfs/dbraw/zinc/25/86/80/226258680.db2.gz GKQBGRJGGDCKRN-YCPHGPKFSA-N 1 0 249.398 3.644 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000493898675 538925695 /nfs/dbraw/zinc/92/56/95/538925695.db2.gz YAHLDOLMFBROIN-BBRMVZONSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000493898676 538925510 /nfs/dbraw/zinc/92/55/10/538925510.db2.gz YAHLDOLMFBROIN-CJNGLKHVSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000493898677 538925589 /nfs/dbraw/zinc/92/55/89/538925589.db2.gz YAHLDOLMFBROIN-CZUORRHYSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493898678 538925517 /nfs/dbraw/zinc/92/55/17/538925517.db2.gz YAHLDOLMFBROIN-XJKSGUPXSA-N 1 0 249.398 3.788 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000493908450 529242462 /nfs/dbraw/zinc/24/24/62/529242462.db2.gz RMUFSQLSYUJRPP-AYDFFVQHSA-N 1 0 249.398 3.787 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493908451 529242358 /nfs/dbraw/zinc/24/23/58/529242358.db2.gz RMUFSQLSYUJRPP-RZLSGREXSA-N 1 0 249.398 3.787 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000493908452 529242428 /nfs/dbraw/zinc/24/24/28/529242428.db2.gz RMUFSQLSYUJRPP-TTZDDIAXSA-N 1 0 249.398 3.787 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000493908453 529242340 /nfs/dbraw/zinc/24/23/40/529242340.db2.gz RMUFSQLSYUJRPP-YXWQFLTLSA-N 1 0 249.398 3.787 20 0 BHADRO CCCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493960199 528215108 /nfs/dbraw/zinc/21/51/08/528215108.db2.gz KJQWGRGANAIRBM-UHFFFAOYSA-N 1 0 247.382 3.514 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000493960218 226259255 /nfs/dbraw/zinc/25/92/55/226259255.db2.gz KNCYLRASMNIMEL-IOASZLSFSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000493960219 226259258 /nfs/dbraw/zinc/25/92/58/226259258.db2.gz KNCYLRASMNIMEL-WWGRRREGSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000493960220 226259263 /nfs/dbraw/zinc/25/92/63/226259263.db2.gz KNCYLRASMNIMEL-XEZPLFJOSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000493960221 226259130 /nfs/dbraw/zinc/25/91/30/226259130.db2.gz KNCYLRASMNIMEL-ZENOOKHLSA-N 1 0 247.382 3.541 20 0 BHADRO CCCCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493960339 528215524 /nfs/dbraw/zinc/21/55/24/528215524.db2.gz LMHBNBVXFSTCTA-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCCCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000493960340 528216311 /nfs/dbraw/zinc/21/63/11/528216311.db2.gz LMHBNBVXFSTCTA-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCCCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000493960341 528216852 /nfs/dbraw/zinc/21/68/52/528216852.db2.gz LMHBNBVXFSTCTA-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCCCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000493960342 528214610 /nfs/dbraw/zinc/21/46/10/528214610.db2.gz LMHBNBVXFSTCTA-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CCCCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494008982 528164675 /nfs/dbraw/zinc/16/46/75/528164675.db2.gz YYJQCDAXYIXEEZ-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000494011257 526541863 /nfs/dbraw/zinc/54/18/63/526541863.db2.gz IDXWWGYKVRKVIM-HXZBBRIXSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494019335 529182674 /nfs/dbraw/zinc/18/26/74/529182674.db2.gz TZLDYLLCYOAHMZ-DZGCQCFKSA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000494019336 529257061 /nfs/dbraw/zinc/25/70/61/529257061.db2.gz TZLDYLLCYOAHMZ-HIFRSBDPSA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000494019337 529182102 /nfs/dbraw/zinc/18/21/02/529182102.db2.gz TZLDYLLCYOAHMZ-UKRRQHHQSA-N 1 0 249.423 3.965 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494019338 529257022 /nfs/dbraw/zinc/25/70/22/529257022.db2.gz TZLDYLLCYOAHMZ-ZFWWWQNUSA-N 1 0 249.423 3.965 20 0 BHADRO CC(C)(C)OC1CC([NH2+]CC2(C)CCCC2)C1 ZINC000494021444 526540815 /nfs/dbraw/zinc/54/08/15/526540815.db2.gz WRLUAFFPVQVDRV-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]Cc1ccco1 ZINC000494021983 533670813 /nfs/dbraw/zinc/67/08/13/533670813.db2.gz CVGNTOWKZBXFFC-AWEZNQCLSA-N 1 0 243.350 3.638 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]Cc1ccco1 ZINC000494021986 533990164 /nfs/dbraw/zinc/99/01/64/533990164.db2.gz CVGNTOWKZBXFFC-CQSZACIVSA-N 1 0 243.350 3.638 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)[C@@H](C)C2 ZINC000494029469 538925843 /nfs/dbraw/zinc/92/58/43/538925843.db2.gz QBVNUXLQCQTOCF-BLLLJJGKSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)[C@@H](C)C2 ZINC000494029470 538925899 /nfs/dbraw/zinc/92/58/99/538925899.db2.gz QBVNUXLQCQTOCF-LRDDRELGSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC1)[C@H](C)C2 ZINC000494029471 538926080 /nfs/dbraw/zinc/92/60/80/538926080.db2.gz QBVNUXLQCQTOCF-MLGOLLRUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)[C@H](C)C2 ZINC000494029472 538925946 /nfs/dbraw/zinc/92/59/46/538925946.db2.gz QBVNUXLQCQTOCF-WBMJQRKESA-N 1 0 229.367 3.618 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCO[C@H]1C)C(C)(C)C ZINC000494038757 527850394 /nfs/dbraw/zinc/85/03/94/527850394.db2.gz QACYQGYSEPWMBJ-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(C)(C)C ZINC000494038758 527850269 /nfs/dbraw/zinc/85/02/69/527850269.db2.gz QACYQGYSEPWMBJ-MCIONIFRSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(C)(C)C ZINC000494038759 527850750 /nfs/dbraw/zinc/85/07/50/527850750.db2.gz QACYQGYSEPWMBJ-MJBXVCDLSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)C(C)(C)C ZINC000494038760 527850622 /nfs/dbraw/zinc/85/06/22/527850622.db2.gz QACYQGYSEPWMBJ-RDBSUJKOSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)[C@H](C)C2 ZINC000494039241 534452682 /nfs/dbraw/zinc/45/26/82/534452682.db2.gz OFQGYEBXRLCNAV-FRFSOERESA-N 1 0 241.378 3.927 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)[C@@H](C)C2 ZINC000494039242 534453865 /nfs/dbraw/zinc/45/38/65/534453865.db2.gz OFQGYEBXRLCNAV-JLJPHGGASA-N 1 0 241.378 3.927 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)[C@H](C)C2 ZINC000494039243 534452786 /nfs/dbraw/zinc/45/27/86/534452786.db2.gz OFQGYEBXRLCNAV-UKPHBRMFSA-N 1 0 241.378 3.927 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H](C)C2 ZINC000494039244 534452812 /nfs/dbraw/zinc/45/28/12/534452812.db2.gz OFQGYEBXRLCNAV-YSVLISHTSA-N 1 0 241.378 3.927 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494040521 528787284 /nfs/dbraw/zinc/78/72/84/528787284.db2.gz XXNMTMZQKMVTMJ-PLNGDYQASA-N 1 0 242.366 3.956 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494040526 528768280 /nfs/dbraw/zinc/76/82/80/528768280.db2.gz XXNMTMZQKMVTMJ-SNAWJCMRSA-N 1 0 242.366 3.956 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC1)[C@H](C)C2 ZINC000494041731 226260256 /nfs/dbraw/zinc/26/02/56/226260256.db2.gz YAFLOTXUDKFAAH-DOMZBBRYSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC1)[C@H](C)C2 ZINC000494041732 534450701 /nfs/dbraw/zinc/45/07/01/534450701.db2.gz YAFLOTXUDKFAAH-IUODEOHRSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC1)[C@@H](C)C2 ZINC000494041733 534451886 /nfs/dbraw/zinc/45/18/86/534451886.db2.gz YAFLOTXUDKFAAH-SWLSCSKDSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC1)[C@@H](C)C2 ZINC000494041734 226260228 /nfs/dbraw/zinc/26/02/28/226260228.db2.gz YAFLOTXUDKFAAH-WFASDCNBSA-N 1 0 229.367 3.618 20 0 BHADRO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCC1 ZINC000494054424 529028703 /nfs/dbraw/zinc/02/87/03/529028703.db2.gz CBZVFONLHHULJY-HNNXBMFYSA-N 1 0 249.423 3.945 20 0 BHADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCC1 ZINC000494054425 528487839 /nfs/dbraw/zinc/48/78/39/528487839.db2.gz CBZVFONLHHULJY-OAHLLOKOSA-N 1 0 249.423 3.945 20 0 BHADRO CCCC1(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000494067471 528060429 /nfs/dbraw/zinc/06/04/29/528060429.db2.gz YDCVNLJKFQVWPH-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1 ZINC000494088950 529642567 /nfs/dbraw/zinc/64/25/67/529642567.db2.gz KZROTBUUIGKKTR-CYBMUJFWSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1 ZINC000494088951 529642444 /nfs/dbraw/zinc/64/24/44/529642444.db2.gz KZROTBUUIGKKTR-ZDUSSCGKSA-N 1 0 249.423 3.576 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)[C@H]1C=CCCC1 ZINC000494117762 529996070 /nfs/dbraw/zinc/99/60/70/529996070.db2.gz WVFYYKVGSSXCAP-AWEZNQCLSA-N 1 0 240.350 3.708 20 0 BHADRO C[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1C=CCCC1 ZINC000494117763 529996405 /nfs/dbraw/zinc/99/64/05/529996405.db2.gz WVFYYKVGSSXCAP-CQSZACIVSA-N 1 0 240.350 3.708 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494129418 226261438 /nfs/dbraw/zinc/26/14/38/226261438.db2.gz YDZGNHMAAFMOMK-KBPBESRZSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000494129419 226261395 /nfs/dbraw/zinc/26/13/95/226261395.db2.gz YDZGNHMAAFMOMK-KGLIPLIRSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494129420 226261363 /nfs/dbraw/zinc/26/13/63/226261363.db2.gz YDZGNHMAAFMOMK-UONOGXRCSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000494129421 226261519 /nfs/dbraw/zinc/26/15/19/226261519.db2.gz YDZGNHMAAFMOMK-ZIAGYGMSSA-N 1 0 249.423 3.883 20 0 BHADRO CCc1cccc(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000494137118 529169352 /nfs/dbraw/zinc/16/93/52/529169352.db2.gz OKUGPEXCNNZODD-CYBMUJFWSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1cccc(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000494137119 529169692 /nfs/dbraw/zinc/16/96/92/529169692.db2.gz OKUGPEXCNNZODD-ZDUSSCGKSA-N 1 0 249.423 3.576 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000494137827 226261383 /nfs/dbraw/zinc/26/13/83/226261383.db2.gz UPOBGMRGZITNJE-KBPBESRZSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000494137828 226261412 /nfs/dbraw/zinc/26/14/12/226261412.db2.gz UPOBGMRGZITNJE-KGLIPLIRSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000494137829 226261317 /nfs/dbraw/zinc/26/13/17/226261317.db2.gz UPOBGMRGZITNJE-UONOGXRCSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000494137830 226261434 /nfs/dbraw/zinc/26/14/34/226261434.db2.gz UPOBGMRGZITNJE-ZIAGYGMSSA-N 1 0 249.423 3.883 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000494138215 534666323 /nfs/dbraw/zinc/66/63/23/534666323.db2.gz XUSRUNCNWUSXQA-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCS[C@H](C)CC1 ZINC000494138216 534665906 /nfs/dbraw/zinc/66/59/06/534665906.db2.gz XUSRUNCNWUSXQA-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000494144346 226261558 /nfs/dbraw/zinc/26/15/58/226261558.db2.gz GHIZBTHMSJJPPT-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000494144347 226261312 /nfs/dbraw/zinc/26/13/12/226261312.db2.gz GHIZBTHMSJJPPT-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@H](C)CC1 ZINC000494144643 528503621 /nfs/dbraw/zinc/50/36/21/528503621.db2.gz IKVLWEFSGQPDPC-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000494144644 528504811 /nfs/dbraw/zinc/50/48/11/528504811.db2.gz IKVLWEFSGQPDPC-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000494146278 533668391 /nfs/dbraw/zinc/66/83/91/533668391.db2.gz SCQDOSHHDMFJEE-AWEZNQCLSA-N 1 0 249.423 3.631 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000494146279 533668602 /nfs/dbraw/zinc/66/86/02/533668602.db2.gz SCQDOSHHDMFJEE-CQSZACIVSA-N 1 0 249.423 3.631 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000494151691 529579622 /nfs/dbraw/zinc/57/96/22/529579622.db2.gz DOHXQHUJJOTGHO-CYBMUJFWSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000494151692 529580101 /nfs/dbraw/zinc/58/01/01/529580101.db2.gz DOHXQHUJJOTGHO-ZDUSSCGKSA-N 1 0 249.423 3.576 20 0 BHADRO CCC1(C)CCC([NH2+]CC(C)(C)COC)CC1 ZINC000494160010 529015957 /nfs/dbraw/zinc/01/59/57/529015957.db2.gz FARNMCAHVBWRNI-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1nc2ccc(C[NH2+]C3(C)CCC3)cc2s1 ZINC000494177589 226262078 /nfs/dbraw/zinc/26/20/78/226262078.db2.gz YNPIMPFDRQXRAA-UHFFFAOYSA-N 1 0 246.379 3.637 20 0 BHADRO Fc1ccc(CCCCC[NH2+]CC2CC2)cc1 ZINC000494244123 226262601 /nfs/dbraw/zinc/26/26/01/226262601.db2.gz GQDYHRAZAVMENF-UHFFFAOYSA-N 1 0 235.346 3.538 20 0 BHADRO CCSCC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494262659 529178693 /nfs/dbraw/zinc/17/86/93/529178693.db2.gz QIPPBKIJUPWPKP-OWBHPGMISA-N 1 0 249.423 3.775 20 0 BHADRO CCSCC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494262660 529178786 /nfs/dbraw/zinc/17/87/86/529178786.db2.gz QIPPBKIJUPWPKP-WYMLVPIESA-N 1 0 249.423 3.775 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+](C)CC1CCC1 ZINC000494294037 527504893 /nfs/dbraw/zinc/50/48/93/527504893.db2.gz VPBDKMANHCAZBP-KAMYIIQDSA-N 1 0 229.367 3.822 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+](C)CC1CCC1 ZINC000494294038 527532561 /nfs/dbraw/zinc/53/25/61/527532561.db2.gz VPBDKMANHCAZBP-SDNWHVSQSA-N 1 0 229.367 3.822 20 0 BHADRO Cc1nc2ccc(C[NH2+]CCC(C)C)cc2s1 ZINC000494295916 226263789 /nfs/dbraw/zinc/26/37/89/226263789.db2.gz OXSGXKXHZUGHBR-UHFFFAOYSA-N 1 0 248.395 3.740 20 0 BHADRO Cc1nc2ccc(C[NH2+]CC(C)(C)C)cc2s1 ZINC000494305020 226263813 /nfs/dbraw/zinc/26/38/13/226263813.db2.gz ZZRVDPKXZBSUNY-UHFFFAOYSA-N 1 0 248.395 3.740 20 0 BHADRO CCCCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494311805 528215541 /nfs/dbraw/zinc/21/55/41/528215541.db2.gz MHPMFKVOVHOJPW-UHFFFAOYSA-N 1 0 248.395 3.885 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494354781 528563654 /nfs/dbraw/zinc/56/36/54/528563654.db2.gz ZFFZBEOEMQRCBM-UHFFFAOYSA-N 1 0 248.395 3.883 20 0 BHADRO Cc1nc2ccc(C[NH2+]C3CCCC3)cc2s1 ZINC000494372928 226264410 /nfs/dbraw/zinc/26/44/10/226264410.db2.gz CVEKABLBBBOGPR-UHFFFAOYSA-N 1 0 246.379 3.637 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494377945 528804197 /nfs/dbraw/zinc/80/41/97/528804197.db2.gz OSWUHBIFUHGCHX-UHFFFAOYSA-N 1 0 248.395 3.883 20 0 BHADRO CC[N@H+](C/C=C\c1ccncc1)C1CCCCC1 ZINC000494386805 527871907 /nfs/dbraw/zinc/87/19/07/527871907.db2.gz ONIOMXFCHMCEDY-SREVYHEPSA-N 1 0 244.382 3.749 20 0 BHADRO CC[N@H+](C/C=C/c1ccncc1)C1CCCCC1 ZINC000494386810 527870777 /nfs/dbraw/zinc/87/07/77/527870777.db2.gz ONIOMXFCHMCEDY-VOTSOKGWSA-N 1 0 244.382 3.749 20 0 BHADRO Fc1cncc(C[NH2+]CCC2=CCCCCC2)c1 ZINC000494392650 226264637 /nfs/dbraw/zinc/26/46/37/226264637.db2.gz MPUVTYWAJLRZCF-UHFFFAOYSA-N 1 0 248.345 3.591 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C/C=C/c1ccncc1)C1CC1 ZINC000494401247 528408891 /nfs/dbraw/zinc/40/88/91/528408891.db2.gz ZHGYWSHUHPFNIJ-ISZGNANSSA-N 1 0 244.382 3.604 20 0 BHADRO CC(C)[C@H](C)[N@H+](C/C=C/c1ccncc1)C1CC1 ZINC000494401248 528959190 /nfs/dbraw/zinc/95/91/90/528959190.db2.gz ZHGYWSHUHPFNIJ-NNTXTVRGSA-N 1 0 244.382 3.604 20 0 BHADRO CC(C)[C@H](C)[N@H+](C/C=C\c1ccncc1)C1CC1 ZINC000494401249 528959673 /nfs/dbraw/zinc/95/96/73/528959673.db2.gz ZHGYWSHUHPFNIJ-WSNITJDQSA-N 1 0 244.382 3.604 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C/C=C\c1ccncc1)C1CC1 ZINC000494401250 528408260 /nfs/dbraw/zinc/40/82/60/528408260.db2.gz ZHGYWSHUHPFNIJ-ZRUQZJFASA-N 1 0 244.382 3.604 20 0 BHADRO CC(C)C[NH+](C/C=C/c1ccncc1)CC(C)C ZINC000494409201 527922204 /nfs/dbraw/zinc/92/22/04/527922204.db2.gz FWPQPLKCZHVONC-AATRIKPKSA-N 1 0 246.398 3.709 20 0 BHADRO CC(C)C[NH+](C/C=C\c1ccncc1)CC(C)C ZINC000494409207 527922628 /nfs/dbraw/zinc/92/26/28/527922628.db2.gz FWPQPLKCZHVONC-WAYWQWQTSA-N 1 0 246.398 3.709 20 0 BHADRO CCOc1c(Cl)cccc1C[NH+](CC)CC ZINC000494417671 528177176 /nfs/dbraw/zinc/17/71/76/528177176.db2.gz XYAVCRUUNWRWOM-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000494422451 226264811 /nfs/dbraw/zinc/26/48/11/226264811.db2.gz BTGIZBAJKPJJLW-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000494422452 226264937 /nfs/dbraw/zinc/26/49/37/226264937.db2.gz BTGIZBAJKPJJLW-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494423948 533693591 /nfs/dbraw/zinc/69/35/91/533693591.db2.gz GPVNSNBKKKUYRK-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494423949 226265277 /nfs/dbraw/zinc/26/52/77/226265277.db2.gz GPVNSNBKKKUYRK-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCSC1 ZINC000494425190 528950952 /nfs/dbraw/zinc/95/09/52/528950952.db2.gz KIAAZWDLKPUOHZ-HNNXBMFYSA-N 1 0 249.423 3.650 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCSC1 ZINC000494425193 528950891 /nfs/dbraw/zinc/95/08/91/528950891.db2.gz KIAAZWDLKPUOHZ-OAHLLOKOSA-N 1 0 249.423 3.650 20 0 BHADRO Clc1csc(C[NH+]2CCCCCC2)c1 ZINC000494425459 226264532 /nfs/dbraw/zinc/26/45/32/226264532.db2.gz LWVFHMZADBVUKY-UHFFFAOYSA-N 1 0 229.776 3.778 20 0 BHADRO CCCC[NH+](CCCC)C[C@H]1CCSC1 ZINC000494432577 528404850 /nfs/dbraw/zinc/40/48/50/528404850.db2.gz HRANIQLUNUEADP-CYBMUJFWSA-N 1 0 229.433 3.642 20 0 BHADRO CCCC[NH+](CCCC)C[C@@H]1CCSC1 ZINC000494432579 528403904 /nfs/dbraw/zinc/40/39/04/528403904.db2.gz HRANIQLUNUEADP-ZDUSSCGKSA-N 1 0 229.433 3.642 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000494433802 533783354 /nfs/dbraw/zinc/78/33/54/533783354.db2.gz FFUJCMYUZKXEFB-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000494433803 533784531 /nfs/dbraw/zinc/78/45/31/533784531.db2.gz FFUJCMYUZKXEFB-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[NH+](C/C=C/c1ccncc1)CCCC ZINC000494436869 528374121 /nfs/dbraw/zinc/37/41/21/528374121.db2.gz RPBQFXNEUCPMAH-BQYQJAHWSA-N 1 0 246.398 3.997 20 0 BHADRO CCCC[NH+](C/C=C\c1ccncc1)CCCC ZINC000494436870 528374873 /nfs/dbraw/zinc/37/48/73/528374873.db2.gz RPBQFXNEUCPMAH-FPLPWBNLSA-N 1 0 246.398 3.997 20 0 BHADRO CCC[NH+](CCC)Cc1scnc1C1CC1 ZINC000494439036 538926544 /nfs/dbraw/zinc/92/65/44/538926544.db2.gz YPQWNGUOOSIFTH-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO CCOC1CC([NH2+][C@H](C)CC2CCCCC2)C1 ZINC000494440064 528512464 /nfs/dbraw/zinc/51/24/64/528512464.db2.gz WNBXWKGYUFBKEO-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000494448586 533783612 /nfs/dbraw/zinc/78/36/12/533783612.db2.gz GOPXBGSULAIQRP-IPYPFGDCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000494448587 533785253 /nfs/dbraw/zinc/78/52/53/533785253.db2.gz GOPXBGSULAIQRP-NFAWXSAZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000494448588 533785518 /nfs/dbraw/zinc/78/55/18/533785518.db2.gz GOPXBGSULAIQRP-UMVBOHGHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000494448589 533785097 /nfs/dbraw/zinc/78/50/97/533785097.db2.gz GOPXBGSULAIQRP-VNHYZAJKSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000494459374 226265398 /nfs/dbraw/zinc/26/53/98/226265398.db2.gz UXBVBPRUKFDLAB-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000494459375 226265510 /nfs/dbraw/zinc/26/55/10/226265510.db2.gz UXBVBPRUKFDLAB-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)c1cnccc1C ZINC000494495685 226265880 /nfs/dbraw/zinc/26/58/80/226265880.db2.gz NVOUSAHRRXPZRO-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)c1cnccc1C ZINC000494495686 226265651 /nfs/dbraw/zinc/26/56/51/226265651.db2.gz NVOUSAHRRXPZRO-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC=C(C)C ZINC000494497235 226265646 /nfs/dbraw/zinc/26/56/46/226265646.db2.gz RXYUEWRESBYNKH-GDBMZVCRSA-N 1 0 247.382 3.709 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC=C(C)C ZINC000494497236 226265661 /nfs/dbraw/zinc/26/56/61/226265661.db2.gz RXYUEWRESBYNKH-GOEBONIOSA-N 1 0 247.382 3.709 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC=C(C)C ZINC000494497237 226265883 /nfs/dbraw/zinc/26/58/83/226265883.db2.gz RXYUEWRESBYNKH-HOCLYGCPSA-N 1 0 247.382 3.709 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC=C(C)C ZINC000494497238 226265647 /nfs/dbraw/zinc/26/56/47/226265647.db2.gz RXYUEWRESBYNKH-ZBFHGGJFSA-N 1 0 247.382 3.709 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000494513554 528533280 /nfs/dbraw/zinc/53/32/80/528533280.db2.gz UQYUKBQXNRBVNO-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000494513555 528534238 /nfs/dbraw/zinc/53/42/38/528534238.db2.gz UQYUKBQXNRBVNO-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000494513556 528534489 /nfs/dbraw/zinc/53/44/89/528534489.db2.gz UQYUKBQXNRBVNO-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000494513557 528533544 /nfs/dbraw/zinc/53/35/44/528533544.db2.gz UQYUKBQXNRBVNO-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO COC[C@H]([NH2+][C@H](C)CC1CCCCC1)C(C)C ZINC000494532598 533098301 /nfs/dbraw/zinc/09/83/01/533098301.db2.gz UEMPBCCQBVLXRU-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)CC1CCCCC1)C(C)C ZINC000494532606 226266132 /nfs/dbraw/zinc/26/61/32/226266132.db2.gz UEMPBCCQBVLXRU-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1cncc(F)c1 ZINC000494619634 527660999 /nfs/dbraw/zinc/66/09/99/527660999.db2.gz IBXLJBHDDMCHBF-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000494631436 528105266 /nfs/dbraw/zinc/10/52/66/528105266.db2.gz IRQIYXSAUSPQKJ-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000494631437 528104758 /nfs/dbraw/zinc/10/47/58/528104758.db2.gz IRQIYXSAUSPQKJ-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000494631438 528105155 /nfs/dbraw/zinc/10/51/55/528105155.db2.gz IRQIYXSAUSPQKJ-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000494631439 528105449 /nfs/dbraw/zinc/10/54/49/528105449.db2.gz IRQIYXSAUSPQKJ-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CCC1 ZINC000494634060 226267142 /nfs/dbraw/zinc/26/71/42/226267142.db2.gz BTRJTFMQUSBKSP-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000494634061 226267237 /nfs/dbraw/zinc/26/72/37/226267237.db2.gz BTRJTFMQUSBKSP-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000494634062 226267252 /nfs/dbraw/zinc/26/72/52/226267252.db2.gz BTRJTFMQUSBKSP-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CCC1 ZINC000494634063 226267020 /nfs/dbraw/zinc/26/70/20/226267020.db2.gz BTRJTFMQUSBKSP-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000494634993 226267049 /nfs/dbraw/zinc/26/70/49/226267049.db2.gz UWUBQOGEEOUSKR-DZKIICNBSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000494634994 226267171 /nfs/dbraw/zinc/26/71/71/226267171.db2.gz UWUBQOGEEOUSKR-FMKPAKJESA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000494634995 226267381 /nfs/dbraw/zinc/26/73/81/226267381.db2.gz UWUBQOGEEOUSKR-LZWOXQAQSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000494634996 226267438 /nfs/dbraw/zinc/26/74/38/226267438.db2.gz UWUBQOGEEOUSKR-YCPHGPKFSA-N 1 0 249.398 3.787 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000494637159 527751615 /nfs/dbraw/zinc/75/16/15/527751615.db2.gz KNODKOKDLOXGLV-DZGCQCFKSA-N 1 0 247.382 3.542 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000494637161 527753607 /nfs/dbraw/zinc/75/36/07/527753607.db2.gz KNODKOKDLOXGLV-HIFRSBDPSA-N 1 0 247.382 3.542 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000494637162 527753490 /nfs/dbraw/zinc/75/34/90/527753490.db2.gz KNODKOKDLOXGLV-UKRRQHHQSA-N 1 0 247.382 3.542 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000494637164 527752431 /nfs/dbraw/zinc/75/24/31/527752431.db2.gz KNODKOKDLOXGLV-ZFWWWQNUSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000494787324 323088886 /nfs/dbraw/zinc/08/88/86/323088886.db2.gz IXDTTZWGACWAKO-CLWVCHIJSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000494787326 323088935 /nfs/dbraw/zinc/08/89/35/323088935.db2.gz IXDTTZWGACWAKO-SDADXPQNSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000494787330 323088877 /nfs/dbraw/zinc/08/88/77/323088877.db2.gz IXDTTZWGACWAKO-UGQVUOCMSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000494787331 323088850 /nfs/dbraw/zinc/08/88/50/323088850.db2.gz IXDTTZWGACWAKO-VRKREXBASA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494805335 534166170 /nfs/dbraw/zinc/16/61/70/534166170.db2.gz RPWZDRFBDOTEQD-DVOMOZLQSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000494805336 534165084 /nfs/dbraw/zinc/16/50/84/534165084.db2.gz RPWZDRFBDOTEQD-HEHGZKQESA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000494805337 534165942 /nfs/dbraw/zinc/16/59/42/534165942.db2.gz RPWZDRFBDOTEQD-WOSRLPQWSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494805338 534164939 /nfs/dbraw/zinc/16/49/39/534164939.db2.gz RPWZDRFBDOTEQD-XJKCOSOUSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)[C@@H]1C ZINC000494819548 226269957 /nfs/dbraw/zinc/26/99/57/226269957.db2.gz AXGYQDWEEDJUTB-FMKPAKJESA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)[C@@H]1C ZINC000494819550 533639947 /nfs/dbraw/zinc/63/99/47/533639947.db2.gz AXGYQDWEEDJUTB-IIAWOOMASA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)[C@H]1C ZINC000494819551 533641094 /nfs/dbraw/zinc/64/10/94/533641094.db2.gz AXGYQDWEEDJUTB-IJEWVQPXSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)[C@H]1C ZINC000494819552 226269864 /nfs/dbraw/zinc/26/98/64/226269864.db2.gz AXGYQDWEEDJUTB-YCPHGPKFSA-N 1 0 243.394 3.786 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(OC)cc1Cl ZINC000494837390 528004562 /nfs/dbraw/zinc/00/45/62/528004562.db2.gz XKCHPKROZXLGPI-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO COCC(C)(C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000494840575 533090043 /nfs/dbraw/zinc/09/00/43/533090043.db2.gz RJIMZMVATFQNGC-UHFFFAOYSA-N 1 0 249.398 3.572 20 0 BHADRO COCC(C)(C)C[NH2+]CCC1=CCCCCC1 ZINC000494843479 226270277 /nfs/dbraw/zinc/27/02/77/226270277.db2.gz BSFONVPLIXQKNX-UHFFFAOYSA-N 1 0 239.403 3.529 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494849412 527443581 /nfs/dbraw/zinc/44/35/81/527443581.db2.gz GFYFWRLIZQTAGF-UHFFFAOYSA-N 1 0 246.379 3.661 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCSc2ccccc2)[C@H]1C ZINC000494878277 533946529 /nfs/dbraw/zinc/94/65/29/533946529.db2.gz NOFVMQGCHVDZKP-IPYPFGDCSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCSc2ccccc2)[C@@H]1C ZINC000494878278 533948082 /nfs/dbraw/zinc/94/80/82/533948082.db2.gz NOFVMQGCHVDZKP-NFAWXSAZSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCSc2ccccc2)[C@@H]1C ZINC000494878279 533648023 /nfs/dbraw/zinc/64/80/23/533648023.db2.gz NOFVMQGCHVDZKP-UMVBOHGHSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCSc2ccccc2)[C@H]1C ZINC000494878280 533647229 /nfs/dbraw/zinc/64/72/29/533647229.db2.gz NOFVMQGCHVDZKP-VNHYZAJKSA-N 1 0 249.423 3.803 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000494881571 226270831 /nfs/dbraw/zinc/27/08/31/226270831.db2.gz WZLRYNCCQOFWPK-GZBFAFLISA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000494881572 226270732 /nfs/dbraw/zinc/27/07/32/226270732.db2.gz WZLRYNCCQOFWPK-KCQAQPDRSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000494881573 226270747 /nfs/dbraw/zinc/27/07/47/226270747.db2.gz WZLRYNCCQOFWPK-UMVBOHGHSA-N 1 0 249.423 3.721 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000494881574 226270710 /nfs/dbraw/zinc/27/07/10/226270710.db2.gz WZLRYNCCQOFWPK-VNHYZAJKSA-N 1 0 249.423 3.721 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000494905531 529370264 /nfs/dbraw/zinc/37/02/64/529370264.db2.gz VBSKRROENJMEJM-DSJMHWKBSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000494905532 529369823 /nfs/dbraw/zinc/36/98/23/529369823.db2.gz VBSKRROENJMEJM-HLPPOEQASA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000494905533 529369720 /nfs/dbraw/zinc/36/97/20/529369720.db2.gz VBSKRROENJMEJM-IXYNUQLISA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000494905534 529370220 /nfs/dbraw/zinc/37/02/20/529370220.db2.gz VBSKRROENJMEJM-TTZDDIAXSA-N 1 0 231.383 3.814 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C1CC1)C1CCCC1 ZINC000494906662 226271048 /nfs/dbraw/zinc/27/10/48/226271048.db2.gz HGBDSFJZEZMLQS-INIZCTEOSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C1CC1)C1CCCC1 ZINC000494906670 226271128 /nfs/dbraw/zinc/27/11/28/226271128.db2.gz HGBDSFJZEZMLQS-MRXNPFEDSA-N 1 0 229.367 3.978 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494910130 528689475 /nfs/dbraw/zinc/68/94/75/528689475.db2.gz OXEAXQKCCHCHSR-LMOYCYGVSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494910131 528689080 /nfs/dbraw/zinc/68/90/80/528689080.db2.gz OXEAXQKCCHCHSR-NFFDBFGFSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000494910132 528689340 /nfs/dbraw/zinc/68/93/40/528689340.db2.gz OXEAXQKCCHCHSR-RSUWNVLCSA-N 1 0 247.382 3.780 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000494910133 528689108 /nfs/dbraw/zinc/68/91/08/528689108.db2.gz OXEAXQKCCHCHSR-WFGGJUAMSA-N 1 0 247.382 3.780 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C=C/c2ccncc2)CC1 ZINC000494918571 529298302 /nfs/dbraw/zinc/29/83/02/529298302.db2.gz AUDABZGKQHREQO-CSPWOOARSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C=C/c2ccncc2)CC1 ZINC000494918582 529217409 /nfs/dbraw/zinc/21/74/09/529217409.db2.gz AUDABZGKQHREQO-DRDHIDPGSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C=C\c2ccncc2)CC1 ZINC000494918583 529216815 /nfs/dbraw/zinc/21/68/15/529216815.db2.gz AUDABZGKQHREQO-VOKGJARPSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C=C\c2ccncc2)CC1 ZINC000494918584 529298821 /nfs/dbraw/zinc/29/88/21/529298821.db2.gz AUDABZGKQHREQO-ZDTYVGOBSA-N 1 0 244.382 3.607 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000494922413 534415186 /nfs/dbraw/zinc/41/51/86/534415186.db2.gz XKBVGBJXIRBQBF-AVRGHOLYSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000494922420 534415297 /nfs/dbraw/zinc/41/52/97/534415297.db2.gz XKBVGBJXIRBQBF-GUYJKWIASA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000494922421 534415858 /nfs/dbraw/zinc/41/58/58/534415858.db2.gz XKBVGBJXIRBQBF-GVAFMPQTSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000494922422 534415797 /nfs/dbraw/zinc/41/57/97/534415797.db2.gz XKBVGBJXIRBQBF-SHUKQUCYSA-N 1 0 229.367 3.616 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494923577 527820167 /nfs/dbraw/zinc/82/01/67/527820167.db2.gz LYIXTRLDPFQBMM-KBPBESRZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494923578 527820201 /nfs/dbraw/zinc/82/02/01/527820201.db2.gz LYIXTRLDPFQBMM-KGLIPLIRSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494923579 527857699 /nfs/dbraw/zinc/85/76/99/527857699.db2.gz LYIXTRLDPFQBMM-UONOGXRCSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494923580 527857490 /nfs/dbraw/zinc/85/74/90/527857490.db2.gz LYIXTRLDPFQBMM-ZIAGYGMSSA-N 1 0 241.444 3.640 20 0 BHADRO CC[N@H+](Cc1cc(Cl)cs1)C1CCC1 ZINC000494923900 528767047 /nfs/dbraw/zinc/76/70/47/528767047.db2.gz MNXJMMKVGUIDMQ-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494925098 528082041 /nfs/dbraw/zinc/08/20/41/528082041.db2.gz PXNFWYDTZNKHOD-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494925099 528074565 /nfs/dbraw/zinc/07/45/65/528074565.db2.gz PXNFWYDTZNKHOD-IHRRRGAJSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494925100 528081814 /nfs/dbraw/zinc/08/18/14/528081814.db2.gz PXNFWYDTZNKHOD-MELADBBJSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494925101 528076267 /nfs/dbraw/zinc/07/62/67/528076267.db2.gz PXNFWYDTZNKHOD-MJBXVCDLSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494928216 527934541 /nfs/dbraw/zinc/93/45/41/527934541.db2.gz CZOYNPVDKNZHHH-KBPBESRZSA-N 1 0 241.444 3.642 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000494928217 527934620 /nfs/dbraw/zinc/93/46/20/527934620.db2.gz CZOYNPVDKNZHHH-KGLIPLIRSA-N 1 0 241.444 3.642 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494928218 528500939 /nfs/dbraw/zinc/50/09/39/528500939.db2.gz CZOYNPVDKNZHHH-UONOGXRCSA-N 1 0 241.444 3.642 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000494928219 528500425 /nfs/dbraw/zinc/50/04/25/528500425.db2.gz CZOYNPVDKNZHHH-ZIAGYGMSSA-N 1 0 241.444 3.642 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](C/C=C\c2ccncc2)C1 ZINC000494929517 533733174 /nfs/dbraw/zinc/73/31/74/533733174.db2.gz IVAGIMFTQWXLBA-DGPIVGRDSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](C/C=C/c2ccncc2)C1 ZINC000494929518 533732464 /nfs/dbraw/zinc/73/24/64/533732464.db2.gz IVAGIMFTQWXLBA-HYBGQWMJSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](C/C=C\c2ccncc2)C1 ZINC000494929519 533824636 /nfs/dbraw/zinc/82/46/36/533824636.db2.gz IVAGIMFTQWXLBA-JBLNNTITSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](C/C=C/c2ccncc2)C1 ZINC000494929520 533825199 /nfs/dbraw/zinc/82/51/99/533825199.db2.gz IVAGIMFTQWXLBA-PWZNUNQRSA-N 1 0 244.382 3.605 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494931651 527875856 /nfs/dbraw/zinc/87/58/56/527875856.db2.gz RGYMUDXXDXEPIC-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494931652 527878271 /nfs/dbraw/zinc/87/82/71/527878271.db2.gz RGYMUDXXDXEPIC-HZSPNIEDSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494931653 527876753 /nfs/dbraw/zinc/87/67/53/527876753.db2.gz RGYMUDXXDXEPIC-MELADBBJSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494931654 527877604 /nfs/dbraw/zinc/87/76/04/527877604.db2.gz RGYMUDXXDXEPIC-MGPQQGTHSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[C@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494931660 528376285 /nfs/dbraw/zinc/37/62/85/528376285.db2.gz RJTUHEHVLVKQSA-GIZXNFQBSA-N 1 0 244.382 3.607 20 0 BHADRO CCC[C@@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494931661 527750505 /nfs/dbraw/zinc/75/05/05/527750505.db2.gz RJTUHEHVLVKQSA-QQNRWZHASA-N 1 0 244.382 3.607 20 0 BHADRO CCC[C@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494931662 528375189 /nfs/dbraw/zinc/37/51/89/528375189.db2.gz RJTUHEHVLVKQSA-UYZDIKGJSA-N 1 0 244.382 3.607 20 0 BHADRO CCC[C@@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494931663 527751406 /nfs/dbraw/zinc/75/14/06/527751406.db2.gz RJTUHEHVLVKQSA-WUTVXBCWSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000494932204 323089263 /nfs/dbraw/zinc/08/92/63/323089263.db2.gz QCPUNEWBURWLEQ-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494932205 323089225 /nfs/dbraw/zinc/08/92/25/323089225.db2.gz QCPUNEWBURWLEQ-IHRRRGAJSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494932206 323089257 /nfs/dbraw/zinc/08/92/57/323089257.db2.gz QCPUNEWBURWLEQ-MELADBBJSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000494932207 323089319 /nfs/dbraw/zinc/08/93/19/323089319.db2.gz QCPUNEWBURWLEQ-MJBXVCDLSA-N 1 0 241.444 3.640 20 0 BHADRO CCC[N@H+](C)Cc1cccc(Cl)c1OCC ZINC000494933049 527853108 /nfs/dbraw/zinc/85/31/08/527853108.db2.gz RWBPFXKGHJESMP-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494933175 528372676 /nfs/dbraw/zinc/37/26/76/528372676.db2.gz SCRBJLMMOLJQPG-KBPBESRZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000494933179 528372941 /nfs/dbraw/zinc/37/29/41/528372941.db2.gz SCRBJLMMOLJQPG-KGLIPLIRSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494933182 528585296 /nfs/dbraw/zinc/58/52/96/528585296.db2.gz SCRBJLMMOLJQPG-UONOGXRCSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000494933185 528585259 /nfs/dbraw/zinc/58/52/59/528585259.db2.gz SCRBJLMMOLJQPG-ZIAGYGMSSA-N 1 0 241.444 3.640 20 0 BHADRO CC1(C)CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494933238 529010895 /nfs/dbraw/zinc/01/08/95/529010895.db2.gz SFPGEKLYDKHIFU-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000494933374 528944666 /nfs/dbraw/zinc/94/46/66/528944666.db2.gz UWYWRNMJVQROMK-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494934350 526721712 /nfs/dbraw/zinc/72/17/12/526721712.db2.gz VDAYWTUALVVLRL-CSPWOOARSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494934351 526655078 /nfs/dbraw/zinc/65/50/78/526655078.db2.gz VDAYWTUALVVLRL-DRDHIDPGSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494934353 526722549 /nfs/dbraw/zinc/72/25/49/526722549.db2.gz VDAYWTUALVVLRL-ZDTYVGOBSA-N 1 0 244.382 3.605 20 0 BHADRO C[N@H+](C[C@H]1CCSC1)C1CCC(C)(C)CC1 ZINC000494935724 529972446 /nfs/dbraw/zinc/97/24/46/529972446.db2.gz ZTMVJXFOVDBBRM-GFCCVEGCSA-N 1 0 241.444 3.640 20 0 BHADRO C[N@H+](C[C@@H]1CCSC1)C1CCC(C)(C)CC1 ZINC000494935725 529956836 /nfs/dbraw/zinc/95/68/36/529956836.db2.gz ZTMVJXFOVDBBRM-LBPRGKRZSA-N 1 0 241.444 3.640 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494938393 533859050 /nfs/dbraw/zinc/85/90/50/533859050.db2.gz OGQDGPODUOFXJI-LALPHHSUSA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000494938394 533858824 /nfs/dbraw/zinc/85/88/24/533858824.db2.gz OGQDGPODUOFXJI-SLEUVZQESA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494938395 533858530 /nfs/dbraw/zinc/85/85/30/533858530.db2.gz OGQDGPODUOFXJI-TYNCELHUSA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000494938396 533859657 /nfs/dbraw/zinc/85/96/57/533859657.db2.gz OGQDGPODUOFXJI-YWPYICTPSA-N 1 0 249.423 3.684 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000494940455 226271943 /nfs/dbraw/zinc/27/19/43/226271943.db2.gz SJJZLOYUHMCMNP-JTQLQIEISA-N 1 0 241.787 3.633 20 0 BHADRO Clc1csc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000494940456 226272070 /nfs/dbraw/zinc/27/20/70/226272070.db2.gz SJJZLOYUHMCMNP-SNVBAGLBSA-N 1 0 241.787 3.633 20 0 BHADRO CCC1(CC)CC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494940858 529056407 /nfs/dbraw/zinc/05/64/07/529056407.db2.gz VSZOSGDEEQLZFX-AATRIKPKSA-N 1 0 244.382 3.607 20 0 BHADRO CCC1(CC)CC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494940859 529057289 /nfs/dbraw/zinc/05/72/89/529057289.db2.gz VSZOSGDEEQLZFX-WAYWQWQTSA-N 1 0 244.382 3.607 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494941805 528275090 /nfs/dbraw/zinc/27/50/90/528275090.db2.gz POYFBGUJQCBDPQ-KBPBESRZSA-N 1 0 241.444 3.784 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494941806 528274806 /nfs/dbraw/zinc/27/48/06/528274806.db2.gz POYFBGUJQCBDPQ-KGLIPLIRSA-N 1 0 241.444 3.784 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494941807 528262202 /nfs/dbraw/zinc/26/22/02/528262202.db2.gz POYFBGUJQCBDPQ-UONOGXRCSA-N 1 0 241.444 3.784 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494941808 528262469 /nfs/dbraw/zinc/26/24/69/528262469.db2.gz POYFBGUJQCBDPQ-ZIAGYGMSSA-N 1 0 241.444 3.784 20 0 BHADRO CCn1cccc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000494942820 529547044 /nfs/dbraw/zinc/54/70/44/529547044.db2.gz RZYIMDIVDGUMJJ-AWEZNQCLSA-N 1 0 242.366 3.701 20 0 BHADRO CCn1cccc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000494942821 529547282 /nfs/dbraw/zinc/54/72/82/529547282.db2.gz RZYIMDIVDGUMJJ-CQSZACIVSA-N 1 0 242.366 3.701 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494947580 528649705 /nfs/dbraw/zinc/64/97/05/528649705.db2.gz KRMSJMSWSSLUSG-JFDDCEBESA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494947581 528649528 /nfs/dbraw/zinc/64/95/28/528649528.db2.gz KRMSJMSWSSLUSG-KJPDOMRESA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494947582 527760715 /nfs/dbraw/zinc/76/07/15/527760715.db2.gz KRMSJMSWSSLUSG-OGZRUICASA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494947583 527760442 /nfs/dbraw/zinc/76/04/42/527760442.db2.gz KRMSJMSWSSLUSG-SQRWCISFSA-N 1 0 244.382 3.605 20 0 BHADRO C[N@H+](CCC1CCCCC1)C[C@@H]1CCSC1 ZINC000494949509 529877699 /nfs/dbraw/zinc/87/76/99/529877699.db2.gz MFAMNZKHZQIOIE-AWEZNQCLSA-N 1 0 241.444 3.642 20 0 BHADRO C[N@H+](CCC1CCCCC1)C[C@H]1CCSC1 ZINC000494949510 529877521 /nfs/dbraw/zinc/87/75/21/529877521.db2.gz MFAMNZKHZQIOIE-CQSZACIVSA-N 1 0 241.444 3.642 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]1C ZINC000494954183 226272349 /nfs/dbraw/zinc/27/23/49/226272349.db2.gz AMLSLLVWORVNOE-CCECPURYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]1C ZINC000494954184 226272595 /nfs/dbraw/zinc/27/25/95/226272595.db2.gz AMLSLLVWORVNOE-IPQWEPCOSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]1C ZINC000494954185 226272318 /nfs/dbraw/zinc/27/23/18/226272318.db2.gz AMLSLLVWORVNOE-JLHFOLKXSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]1C ZINC000494954186 226272401 /nfs/dbraw/zinc/27/24/01/226272401.db2.gz AMLSLLVWORVNOE-UDUPFKKZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494956487 226272660 /nfs/dbraw/zinc/27/26/60/226272660.db2.gz MQYFVIRVRFMZKA-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cs1 ZINC000494956488 533805997 /nfs/dbraw/zinc/80/59/97/533805997.db2.gz MQYFVIRVRFMZKA-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494956489 226272686 /nfs/dbraw/zinc/27/26/86/226272686.db2.gz MQYFVIRVRFMZKA-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494956490 226272350 /nfs/dbraw/zinc/27/23/50/226272350.db2.gz MQYFVIRVRFMZKA-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO CCC1(C)CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494961788 529021016 /nfs/dbraw/zinc/02/10/16/529021016.db2.gz RUJORAUAHVIUMX-PLNGDYQASA-N 1 0 244.382 3.607 20 0 BHADRO CCC1(C)CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494961789 529021696 /nfs/dbraw/zinc/02/16/96/529021696.db2.gz RUJORAUAHVIUMX-SNAWJCMRSA-N 1 0 244.382 3.607 20 0 BHADRO CC(C)C[N@H+](C[C@H]1CCSC1)CC(C)(C)C ZINC000494962393 527944768 /nfs/dbraw/zinc/94/47/68/527944768.db2.gz UYFGHBJOVWESMS-CYBMUJFWSA-N 1 0 243.460 3.744 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1CCSC1)CC(C)(C)C ZINC000494962394 527943202 /nfs/dbraw/zinc/94/32/02/527943202.db2.gz UYFGHBJOVWESMS-ZDUSSCGKSA-N 1 0 243.460 3.744 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H]1C ZINC000494963217 226272867 /nfs/dbraw/zinc/27/28/67/226272867.db2.gz HRCDHRKETABMCO-FSPSUXSGSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H]1C ZINC000494963218 226272804 /nfs/dbraw/zinc/27/28/04/226272804.db2.gz HRCDHRKETABMCO-WWRHJZOGSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H]1C ZINC000494963219 226273066 /nfs/dbraw/zinc/27/30/66/226273066.db2.gz HRCDHRKETABMCO-ZPFNRVMVSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H]1C ZINC000494963220 226272825 /nfs/dbraw/zinc/27/28/25/226272825.db2.gz HRCDHRKETABMCO-ZUSNOYAUSA-N 1 0 247.357 3.706 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000494964482 529314087 /nfs/dbraw/zinc/31/40/87/529314087.db2.gz PTKWWRLYSHPVPY-SECBINFHSA-N 1 0 231.792 3.879 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000494964483 529651241 /nfs/dbraw/zinc/65/12/41/529651241.db2.gz PTKWWRLYSHPVPY-VIFPVBQESA-N 1 0 231.792 3.879 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494964890 527703761 /nfs/dbraw/zinc/70/37/61/527703761.db2.gz TYXGHVVRMWVDJD-CHWSQXEVSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494964891 527698477 /nfs/dbraw/zinc/69/84/77/527698477.db2.gz TYXGHVVRMWVDJD-OLZOCXBDSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494964892 527703915 /nfs/dbraw/zinc/70/39/15/527703915.db2.gz TYXGHVVRMWVDJD-QWHCGFSZSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494964893 527698695 /nfs/dbraw/zinc/69/86/95/527698695.db2.gz TYXGHVVRMWVDJD-STQMWFEESA-N 1 0 241.444 3.640 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H]1C ZINC000494967419 533640095 /nfs/dbraw/zinc/64/00/95/533640095.db2.gz AFARAGQTHDXHFP-PGDKBNSLSA-N 1 0 243.394 3.741 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H]1C ZINC000494967420 533640206 /nfs/dbraw/zinc/64/02/06/533640206.db2.gz AFARAGQTHDXHFP-PPITUKMASA-N 1 0 243.394 3.741 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H]1C ZINC000494967421 226273063 /nfs/dbraw/zinc/27/30/63/226273063.db2.gz AFARAGQTHDXHFP-RGOOROELSA-N 1 0 243.394 3.741 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H]1C ZINC000494967422 226273035 /nfs/dbraw/zinc/27/30/35/226273035.db2.gz AFARAGQTHDXHFP-VLAOKTRZSA-N 1 0 243.394 3.741 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494970353 529267484 /nfs/dbraw/zinc/26/74/84/529267484.db2.gz HIMKTYXJXWQJJL-FYCOFBDGSA-N 1 0 244.382 3.749 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494970354 529196531 /nfs/dbraw/zinc/19/65/31/529196531.db2.gz HIMKTYXJXWQJJL-MOEXGYKKSA-N 1 0 244.382 3.749 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494970356 529267780 /nfs/dbraw/zinc/26/77/80/529267780.db2.gz HIMKTYXJXWQJJL-MWWKQMNYSA-N 1 0 244.382 3.749 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494970358 529196393 /nfs/dbraw/zinc/19/63/93/529196393.db2.gz HIMKTYXJXWQJJL-WLMCBFPDSA-N 1 0 244.382 3.749 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000494970800 226273164 /nfs/dbraw/zinc/27/31/64/226273164.db2.gz HZNVBHKKELMZRP-CEEVZKBLSA-N 1 0 243.394 3.875 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000494970810 226273132 /nfs/dbraw/zinc/27/31/32/226273132.db2.gz HZNVBHKKELMZRP-DRXUAVOGSA-N 1 0 243.394 3.875 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000494970814 226273138 /nfs/dbraw/zinc/27/31/38/226273138.db2.gz HZNVBHKKELMZRP-JRBZFYFNSA-N 1 0 243.394 3.875 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000494970818 226273336 /nfs/dbraw/zinc/27/33/36/226273336.db2.gz HZNVBHKKELMZRP-WNZSCWOMSA-N 1 0 243.394 3.875 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000494973285 529220556 /nfs/dbraw/zinc/22/05/56/529220556.db2.gz HPBXROOYIDJGHK-JTQLQIEISA-N 1 0 229.776 3.776 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000494973287 529301837 /nfs/dbraw/zinc/30/18/37/529301837.db2.gz HPBXROOYIDJGHK-SNVBAGLBSA-N 1 0 229.776 3.776 20 0 BHADRO CC1(C)CCC[N@H+](C/C=C/c2ccncc2)CC1 ZINC000494973731 528931382 /nfs/dbraw/zinc/93/13/82/528931382.db2.gz IFCYLLJBKFHZSF-HWKANZROSA-N 1 0 244.382 3.607 20 0 BHADRO CC1(C)CCC[N@H+](C/C=C\c2ccncc2)CC1 ZINC000494973733 528932219 /nfs/dbraw/zinc/93/22/19/528932219.db2.gz IFCYLLJBKFHZSF-HYXAFXHYSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@]1(C)CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494977192 529395241 /nfs/dbraw/zinc/39/52/41/529395241.db2.gz GZZVKNZFYAYUTD-DQOPKJQZSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494977194 529523086 /nfs/dbraw/zinc/52/30/86/529523086.db2.gz GZZVKNZFYAYUTD-LEXSJLIMSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@]1(C)CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494977196 529395406 /nfs/dbraw/zinc/39/54/06/529395406.db2.gz GZZVKNZFYAYUTD-MQDFFIGUSA-N 1 0 244.382 3.607 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494977197 529523429 /nfs/dbraw/zinc/52/34/29/529523429.db2.gz GZZVKNZFYAYUTD-NBUZRDOWSA-N 1 0 244.382 3.607 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCF)C1CCCC1 ZINC000494977841 226273883 /nfs/dbraw/zinc/27/38/83/226273883.db2.gz SYBGZKWLYFWKGS-HNNXBMFYSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCF)C1CCCC1 ZINC000494977846 226273671 /nfs/dbraw/zinc/27/36/71/226273671.db2.gz SYBGZKWLYFWKGS-OAHLLOKOSA-N 1 0 235.346 3.785 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000494978409 534200485 /nfs/dbraw/zinc/20/04/85/534200485.db2.gz USGVSMRODCUJOI-LALPHHSUSA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000494978412 534200444 /nfs/dbraw/zinc/20/04/44/534200444.db2.gz USGVSMRODCUJOI-SLEUVZQESA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000494978414 534200637 /nfs/dbraw/zinc/20/06/37/534200637.db2.gz USGVSMRODCUJOI-TYNCELHUSA-N 1 0 249.423 3.585 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000494978415 534200262 /nfs/dbraw/zinc/20/02/62/534200262.db2.gz USGVSMRODCUJOI-YWPYICTPSA-N 1 0 249.423 3.585 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H]1C ZINC000494978513 226273836 /nfs/dbraw/zinc/27/38/36/226273836.db2.gz UARYGGHGGSEWBM-DCXAKIHSSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H]1C ZINC000494978514 226273651 /nfs/dbraw/zinc/27/36/51/226273651.db2.gz UARYGGHGGSEWBM-GUEXDDAASA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H]1C ZINC000494978515 226273810 /nfs/dbraw/zinc/27/38/10/226273810.db2.gz UARYGGHGGSEWBM-PDGPNTQRSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H]1C ZINC000494978516 226273712 /nfs/dbraw/zinc/27/37/12/226273712.db2.gz UARYGGHGGSEWBM-VUBORPHZSA-N 1 0 247.357 3.706 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494979031 528600377 /nfs/dbraw/zinc/60/03/77/528600377.db2.gz VFTHDUIRQSIJDV-CHWSQXEVSA-N 1 0 241.444 3.640 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000494979033 528598593 /nfs/dbraw/zinc/59/85/93/528598593.db2.gz VFTHDUIRQSIJDV-OLZOCXBDSA-N 1 0 241.444 3.640 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494979034 528600045 /nfs/dbraw/zinc/60/00/45/528600045.db2.gz VFTHDUIRQSIJDV-QWHCGFSZSA-N 1 0 241.444 3.640 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000494979036 528598621 /nfs/dbraw/zinc/59/86/21/528598621.db2.gz VFTHDUIRQSIJDV-STQMWFEESA-N 1 0 241.444 3.640 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000494980533 528569836 /nfs/dbraw/zinc/56/98/36/528569836.db2.gz OPFNIEDNQKQIOQ-DVOMOZLQSA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000494980534 528569775 /nfs/dbraw/zinc/56/97/75/528569775.db2.gz OPFNIEDNQKQIOQ-HEHGZKQESA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000494980536 528570084 /nfs/dbraw/zinc/57/00/84/528570084.db2.gz OPFNIEDNQKQIOQ-WOSRLPQWSA-N 1 0 246.398 3.643 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000494980537 528570109 /nfs/dbraw/zinc/57/01/09/528570109.db2.gz OPFNIEDNQKQIOQ-XJKCOSOUSA-N 1 0 246.398 3.643 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494980644 529326631 /nfs/dbraw/zinc/32/66/31/529326631.db2.gz OWQPJZVUVGKYAK-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494980646 529238740 /nfs/dbraw/zinc/23/87/40/529238740.db2.gz OWQPJZVUVGKYAK-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)[C@@H]1C ZINC000494981288 533962335 /nfs/dbraw/zinc/96/23/35/533962335.db2.gz SNIHFDVHDVZUHW-GJVDQKBNSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)[C@@H]1C ZINC000494981289 533657156 /nfs/dbraw/zinc/65/71/56/533657156.db2.gz SNIHFDVHDVZUHW-MAURAIGZSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)[C@H]1C ZINC000494981290 533659405 /nfs/dbraw/zinc/65/94/05/533659405.db2.gz SNIHFDVHDVZUHW-PNDGYWDASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)[C@H]1C ZINC000494981291 533962626 /nfs/dbraw/zinc/96/26/26/533962626.db2.gz SNIHFDVHDVZUHW-XLTGGDBASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000494981391 226273499 /nfs/dbraw/zinc/27/34/99/226273499.db2.gz SRELMIAAVAEDNW-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000494981392 534233320 /nfs/dbraw/zinc/23/33/20/534233320.db2.gz SRELMIAAVAEDNW-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000494981393 226273900 /nfs/dbraw/zinc/27/39/00/226273900.db2.gz SRELMIAAVAEDNW-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)[C@@H]1C ZINC000494981394 226273611 /nfs/dbraw/zinc/27/36/11/226273611.db2.gz SRELMIAAVAEDNW-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO Clc1csc(C[N@@H+]2CCC23CCC3)c1 ZINC000494982166 226273622 /nfs/dbraw/zinc/27/36/22/226273622.db2.gz VKIAWIBNHZTEHH-UHFFFAOYSA-N 1 0 227.760 3.530 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494982482 527800790 /nfs/dbraw/zinc/80/07/90/527800790.db2.gz XUJSKCJSKDMFBA-JTQLQIEISA-N 1 0 243.803 3.879 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494982483 528699980 /nfs/dbraw/zinc/69/99/80/528699980.db2.gz XUJSKCJSKDMFBA-SNVBAGLBSA-N 1 0 243.803 3.879 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000494989977 534061166 /nfs/dbraw/zinc/06/11/66/534061166.db2.gz VTHZJSBEIVJJEI-JMSVASOKSA-N 1 0 249.423 3.569 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000494990010 534060386 /nfs/dbraw/zinc/06/03/86/534060386.db2.gz VTHZJSBEIVJJEI-LALPHHSUSA-N 1 0 249.423 3.569 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000494990011 534059888 /nfs/dbraw/zinc/05/98/88/534059888.db2.gz VTHZJSBEIVJJEI-YWPYICTPSA-N 1 0 249.423 3.569 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000494990013 534060682 /nfs/dbraw/zinc/06/06/82/534060682.db2.gz VTHZJSBEIVJJEI-ZOWXZIJZSA-N 1 0 249.423 3.569 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)cs1 ZINC000494991252 534227891 /nfs/dbraw/zinc/22/78/91/534227891.db2.gz BXOCOZFLMINOPC-DTORHVGOSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(Cl)cs1 ZINC000494991254 533740823 /nfs/dbraw/zinc/74/08/23/533740823.db2.gz BXOCOZFLMINOPC-IUCAKERBSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(Cl)cs1 ZINC000494991256 226273940 /nfs/dbraw/zinc/27/39/40/226273940.db2.gz BXOCOZFLMINOPC-RKDXNWHRSA-N 1 0 229.776 3.774 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)ccc2[nH]1 ZINC000494996824 534092231 /nfs/dbraw/zinc/09/22/31/534092231.db2.gz JADLTIUQNWVYDT-KANYHAFZSA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)ccc2[nH]1 ZINC000494996825 534092023 /nfs/dbraw/zinc/09/20/23/534092023.db2.gz JADLTIUQNWVYDT-KNHMANMVSA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)ccc2[nH]1 ZINC000494996826 534093454 /nfs/dbraw/zinc/09/34/54/534093454.db2.gz JADLTIUQNWVYDT-NSODJVPESA-N 1 0 242.366 3.610 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)ccc2[nH]1 ZINC000494996827 534093558 /nfs/dbraw/zinc/09/35/58/534093558.db2.gz JADLTIUQNWVYDT-RSAASHCRSA-N 1 0 242.366 3.610 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)C[C@H]1CCSC1 ZINC000494999890 528771917 /nfs/dbraw/zinc/77/19/17/528771917.db2.gz SKNBKHUQJHGLED-CYBMUJFWSA-N 1 0 243.460 3.886 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)C[C@@H]1CCSC1 ZINC000494999892 528771496 /nfs/dbraw/zinc/77/14/96/528771496.db2.gz SKNBKHUQJHGLED-ZDUSSCGKSA-N 1 0 243.460 3.886 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H]1CCSC1)C1CC1 ZINC000495001450 529238026 /nfs/dbraw/zinc/23/80/26/529238026.db2.gz XPZXDJMBEYBUIY-AVGNSLFASA-N 1 0 241.444 3.639 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@H]1CCSC1)C1CC1 ZINC000495001451 529238043 /nfs/dbraw/zinc/23/80/43/529238043.db2.gz XPZXDJMBEYBUIY-RWMBFGLXSA-N 1 0 241.444 3.639 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C[C@@H]1CCSC1)C1CC1 ZINC000495001453 529202840 /nfs/dbraw/zinc/20/28/40/529202840.db2.gz XPZXDJMBEYBUIY-XQQFMLRXSA-N 1 0 241.444 3.639 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H]1CCSC1)C1CC1 ZINC000495001457 529203067 /nfs/dbraw/zinc/20/30/67/529203067.db2.gz XPZXDJMBEYBUIY-YNEHKIRRSA-N 1 0 241.444 3.639 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000495003351 529620376 /nfs/dbraw/zinc/62/03/76/529620376.db2.gz HUHCUMOPHYISPG-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000495003352 529175381 /nfs/dbraw/zinc/17/53/81/529175381.db2.gz HUHCUMOPHYISPG-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000495003353 529179191 /nfs/dbraw/zinc/17/91/91/529179191.db2.gz HUHCUMOPHYISPG-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000495003354 529613122 /nfs/dbraw/zinc/61/31/22/529613122.db2.gz HUHCUMOPHYISPG-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000495005065 528889995 /nfs/dbraw/zinc/88/99/95/528889995.db2.gz INVSULWEALCXRS-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000495005066 528890545 /nfs/dbraw/zinc/89/05/45/528890545.db2.gz INVSULWEALCXRS-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495006041 533505522 /nfs/dbraw/zinc/50/55/22/533505522.db2.gz QBJUVOATTVRCEX-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495006042 533766290 /nfs/dbraw/zinc/76/62/90/533766290.db2.gz QBJUVOATTVRCEX-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495006043 533504758 /nfs/dbraw/zinc/50/47/58/533504758.db2.gz QBJUVOATTVRCEX-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495006044 533767116 /nfs/dbraw/zinc/76/71/16/533767116.db2.gz QBJUVOATTVRCEX-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CCC1 ZINC000495007138 533433131 /nfs/dbraw/zinc/43/31/31/533433131.db2.gz UKLAYHZRSOWSHM-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CCC1 ZINC000495007139 533880992 /nfs/dbraw/zinc/88/09/92/533880992.db2.gz UKLAYHZRSOWSHM-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CCC1 ZINC000495007140 533905804 /nfs/dbraw/zinc/90/58/04/533905804.db2.gz UKLAYHZRSOWSHM-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CCC1 ZINC000495007141 533417731 /nfs/dbraw/zinc/41/77/31/533417731.db2.gz UKLAYHZRSOWSHM-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CC([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000495007383 527824086 /nfs/dbraw/zinc/82/40/86/527824086.db2.gz UWXXIKRLSGPLHT-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CC([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000495007384 527823167 /nfs/dbraw/zinc/82/31/67/527823167.db2.gz UWXXIKRLSGPLHT-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000495014590 226274762 /nfs/dbraw/zinc/27/47/62/226274762.db2.gz DFVIAKPSTJKFFG-LALPHHSUSA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000495014592 226274605 /nfs/dbraw/zinc/27/46/05/226274605.db2.gz DFVIAKPSTJKFFG-SLEUVZQESA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000495014594 226274537 /nfs/dbraw/zinc/27/45/37/226274537.db2.gz DFVIAKPSTJKFFG-TYNCELHUSA-N 1 0 249.423 3.684 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000495014596 226274673 /nfs/dbraw/zinc/27/46/73/226274673.db2.gz DFVIAKPSTJKFFG-YWPYICTPSA-N 1 0 249.423 3.684 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H]1C ZINC000495016398 533951525 /nfs/dbraw/zinc/95/15/25/533951525.db2.gz HVSOGXHYLVLIQQ-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@@H]1C ZINC000495016399 226274587 /nfs/dbraw/zinc/27/45/87/226274587.db2.gz HVSOGXHYLVLIQQ-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@H]1C ZINC000495016400 226274663 /nfs/dbraw/zinc/27/46/63/226274663.db2.gz HVSOGXHYLVLIQQ-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@H]1C ZINC000495016401 533952603 /nfs/dbraw/zinc/95/26/03/533952603.db2.gz HVSOGXHYLVLIQQ-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495016723 529032450 /nfs/dbraw/zinc/03/24/50/529032450.db2.gz ISJWHCIOBFREFD-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495016725 529052039 /nfs/dbraw/zinc/05/20/39/529052039.db2.gz ISJWHCIOBFREFD-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495016726 529032275 /nfs/dbraw/zinc/03/22/75/529032275.db2.gz ISJWHCIOBFREFD-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495016727 529051544 /nfs/dbraw/zinc/05/15/44/529051544.db2.gz ISJWHCIOBFREFD-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1(C)CC1 ZINC000495021429 533432724 /nfs/dbraw/zinc/43/27/24/533432724.db2.gz YQSMWKVPXOHMJM-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1(C)CC1 ZINC000495021430 533881406 /nfs/dbraw/zinc/88/14/06/533881406.db2.gz YQSMWKVPXOHMJM-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1(C)CC1 ZINC000495021431 533905616 /nfs/dbraw/zinc/90/56/16/533905616.db2.gz YQSMWKVPXOHMJM-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1(C)CC1 ZINC000495021432 533417745 /nfs/dbraw/zinc/41/77/45/533417745.db2.gz YQSMWKVPXOHMJM-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000495021511 526274271 /nfs/dbraw/zinc/27/42/71/526274271.db2.gz WDMYOSGVZWTCJM-DVOMOZLQSA-N 1 0 229.367 3.506 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000495021512 526274014 /nfs/dbraw/zinc/27/40/14/526274014.db2.gz WDMYOSGVZWTCJM-HEHGZKQESA-N 1 0 229.367 3.506 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000495021513 526273837 /nfs/dbraw/zinc/27/38/37/526273837.db2.gz WDMYOSGVZWTCJM-WOSRLPQWSA-N 1 0 229.367 3.506 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000495021514 526273913 /nfs/dbraw/zinc/27/39/13/526273913.db2.gz WDMYOSGVZWTCJM-XJKCOSOUSA-N 1 0 229.367 3.506 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H]1C ZINC000495022690 533644709 /nfs/dbraw/zinc/64/47/09/533644709.db2.gz DSNPKURYNFUGIY-BSDBSZSESA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H]1C ZINC000495022691 533945061 /nfs/dbraw/zinc/94/50/61/533945061.db2.gz DSNPKURYNFUGIY-GSMPESJSSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H]1C ZINC000495022692 533645260 /nfs/dbraw/zinc/64/52/60/533645260.db2.gz DSNPKURYNFUGIY-JDRPMMFWSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H]1C ZINC000495022694 533945975 /nfs/dbraw/zinc/94/59/75/533945975.db2.gz DSNPKURYNFUGIY-ODDKBQPHSA-N 1 0 243.394 3.814 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495029731 529344170 /nfs/dbraw/zinc/34/41/70/529344170.db2.gz WSPMKNSCVYUMJF-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495029732 529338103 /nfs/dbraw/zinc/33/81/03/529338103.db2.gz WSPMKNSCVYUMJF-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495029733 529338043 /nfs/dbraw/zinc/33/80/43/529338043.db2.gz WSPMKNSCVYUMJF-XQQFMLRXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495029734 529344166 /nfs/dbraw/zinc/34/41/66/529344166.db2.gz WSPMKNSCVYUMJF-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[N@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000495031431 528130353 /nfs/dbraw/zinc/13/03/53/528130353.db2.gz RQLHNZQRGNNLHT-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H](C)c1ccccc1 ZINC000495034916 533548946 /nfs/dbraw/zinc/54/89/46/533548946.db2.gz AWIAKGNPUDPOQC-PAURTPPISA-N 1 0 231.383 3.813 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000495034917 533548804 /nfs/dbraw/zinc/54/88/04/533548804.db2.gz AWIAKGNPUDPOQC-SGPHBRAGSA-N 1 0 231.383 3.813 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H](C)c1ccccc1 ZINC000495034919 533548870 /nfs/dbraw/zinc/54/88/70/533548870.db2.gz AWIAKGNPUDPOQC-SRTKAIALSA-N 1 0 231.383 3.813 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H](C)c1ccccc1 ZINC000495034920 533549321 /nfs/dbraw/zinc/54/93/21/533549321.db2.gz AWIAKGNPUDPOQC-SSZWKKLZSA-N 1 0 231.383 3.813 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000495035663 527805853 /nfs/dbraw/zinc/80/58/53/527805853.db2.gz JRURLDQVUYLTRW-LLVKDONJSA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000495035664 528704319 /nfs/dbraw/zinc/70/43/19/528704319.db2.gz JRURLDQVUYLTRW-NSHDSACASA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC000495036037 528704335 /nfs/dbraw/zinc/70/43/35/528704335.db2.gz KZWXQLYNFPYSOQ-JTQLQIEISA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC000495036038 527805181 /nfs/dbraw/zinc/80/51/81/527805181.db2.gz KZWXQLYNFPYSOQ-SNVBAGLBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000495045274 226275031 /nfs/dbraw/zinc/27/50/31/226275031.db2.gz DKTAAFOCPVTQTR-FUTJPDQTSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000495045275 226274887 /nfs/dbraw/zinc/27/48/87/226274887.db2.gz DKTAAFOCPVTQTR-MCYUEQNJSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000495045276 226274780 /nfs/dbraw/zinc/27/47/80/226274780.db2.gz DKTAAFOCPVTQTR-OZTPJHRESA-N 1 0 235.346 3.563 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000495045277 226274883 /nfs/dbraw/zinc/27/48/83/226274883.db2.gz DKTAAFOCPVTQTR-RTWAVKEYSA-N 1 0 235.346 3.563 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccccc32)[C@H]1C ZINC000495045846 533967653 /nfs/dbraw/zinc/96/76/53/533967653.db2.gz FQYOVDCUIMKVHC-DHMWGJHJSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)[C@@H]1C ZINC000495045847 533962073 /nfs/dbraw/zinc/96/20/73/533962073.db2.gz FQYOVDCUIMKVHC-GBOPCIDUSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)[C@H]1C ZINC000495045848 533961580 /nfs/dbraw/zinc/96/15/80/533961580.db2.gz FQYOVDCUIMKVHC-OSRDXIQISA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccccc32)[C@@H]1C ZINC000495045849 533966680 /nfs/dbraw/zinc/96/66/80/533966680.db2.gz FQYOVDCUIMKVHC-UXOAXIEHSA-N 1 0 245.366 3.534 20 0 BHADRO C[N@H+](C/C=C\c1ccncc1)C1CCCCCC1 ZINC000495050457 529820967 /nfs/dbraw/zinc/82/09/67/529820967.db2.gz UANYMJKMOSLZER-SREVYHEPSA-N 1 0 244.382 3.749 20 0 BHADRO C[N@H+](C/C=C/c1ccncc1)C1CCCCCC1 ZINC000495050458 529820137 /nfs/dbraw/zinc/82/01/37/529820137.db2.gz UANYMJKMOSLZER-VOTSOKGWSA-N 1 0 244.382 3.749 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H]1C ZINC000495054780 533942281 /nfs/dbraw/zinc/94/22/81/533942281.db2.gz WVCINGIGCXUBNC-JMSVASOKSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H]1C ZINC000495054781 533643055 /nfs/dbraw/zinc/64/30/55/533643055.db2.gz WVCINGIGCXUBNC-LALPHHSUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H]1C ZINC000495054782 533643099 /nfs/dbraw/zinc/64/30/99/533643099.db2.gz WVCINGIGCXUBNC-TYNCELHUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H]1C ZINC000495054783 533943435 /nfs/dbraw/zinc/94/34/35/533943435.db2.gz WVCINGIGCXUBNC-XUJVJEKNSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)[C@@H]1C ZINC000495054851 533950384 /nfs/dbraw/zinc/95/03/84/533950384.db2.gz XEUKCDZPHZDTIF-JMSVASOKSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@@H]1C ZINC000495054852 226275129 /nfs/dbraw/zinc/27/51/29/226275129.db2.gz XEUKCDZPHZDTIF-LALPHHSUSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@H]1C ZINC000495054853 226275213 /nfs/dbraw/zinc/27/52/13/226275213.db2.gz XEUKCDZPHZDTIF-TYNCELHUSA-N 1 0 243.350 3.609 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)[C@H]1C ZINC000495054854 385670217 /nfs/dbraw/zinc/67/02/17/385670217.db2.gz XEUKCDZPHZDTIF-XUJVJEKNSA-N 1 0 243.350 3.609 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(Cl)cs1 ZINC000495056098 528406880 /nfs/dbraw/zinc/40/68/80/528406880.db2.gz BKYPTWSHGCASLM-SECBINFHSA-N 1 0 231.792 3.878 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc(Cl)cs1 ZINC000495056099 528959465 /nfs/dbraw/zinc/95/94/65/528959465.db2.gz BKYPTWSHGCASLM-VIFPVBQESA-N 1 0 231.792 3.878 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1scnc1C1CC1 ZINC000495056601 538927628 /nfs/dbraw/zinc/92/76/28/538927628.db2.gz CIGUJGKIGFUFAE-JTQLQIEISA-N 1 0 238.400 3.641 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1scnc1C1CC1 ZINC000495056602 538927487 /nfs/dbraw/zinc/92/74/87/538927487.db2.gz CIGUJGKIGFUFAE-SNVBAGLBSA-N 1 0 238.400 3.641 20 0 BHADRO C[C@H]1[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C[C@@H]1C ZINC000495057505 226275046 /nfs/dbraw/zinc/27/50/46/226275046.db2.gz GDWYMGXOUSXHCX-NTFKUYOJSA-N 1 0 229.367 3.554 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)[C@@H]1C ZINC000495057506 226275341 /nfs/dbraw/zinc/27/53/41/226275341.db2.gz GDWYMGXOUSXHCX-QRUUQIEESA-N 1 0 229.367 3.554 20 0 BHADRO C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)[C@H]1C ZINC000495057507 226275334 /nfs/dbraw/zinc/27/53/34/226275334.db2.gz GDWYMGXOUSXHCX-SCYJSFNGSA-N 1 0 229.367 3.554 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)[C@H]1C ZINC000495057508 385669988 /nfs/dbraw/zinc/66/99/88/385669988.db2.gz GDWYMGXOUSXHCX-ZTJZGAFRSA-N 1 0 229.367 3.554 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000495059087 226275316 /nfs/dbraw/zinc/27/53/16/226275316.db2.gz LUZJTYNJRCSMNT-DSJMHWKBSA-N 1 0 231.383 3.733 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000495059088 226275237 /nfs/dbraw/zinc/27/52/37/226275237.db2.gz LUZJTYNJRCSMNT-HGTKMLMNSA-N 1 0 231.383 3.733 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000495059089 226275292 /nfs/dbraw/zinc/27/52/92/226275292.db2.gz LUZJTYNJRCSMNT-IXYNUQLISA-N 1 0 231.383 3.733 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000495059090 226275232 /nfs/dbraw/zinc/27/52/32/226275232.db2.gz LUZJTYNJRCSMNT-KNCOVGOOSA-N 1 0 231.383 3.733 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCSC1 ZINC000495059423 528145891 /nfs/dbraw/zinc/14/58/91/528145891.db2.gz MUOUWDBAJQYXNV-HNNXBMFYSA-N 1 0 249.423 3.652 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@H]1CCSC1 ZINC000495059424 528146317 /nfs/dbraw/zinc/14/63/17/528146317.db2.gz MUOUWDBAJQYXNV-OAHLLOKOSA-N 1 0 249.423 3.652 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)Sc1ccccc1 ZINC000495060360 226275427 /nfs/dbraw/zinc/27/54/27/226275427.db2.gz RBYDSPVFTYSTRL-GUIRCDHDSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)Sc1ccccc1 ZINC000495060361 226275541 /nfs/dbraw/zinc/27/55/41/226275541.db2.gz RBYDSPVFTYSTRL-KYEXWDHISA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)Sc1ccccc1 ZINC000495060362 226275611 /nfs/dbraw/zinc/27/56/11/226275611.db2.gz RBYDSPVFTYSTRL-RGCMKSIDSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)Sc1ccccc1 ZINC000495060363 226275418 /nfs/dbraw/zinc/27/54/18/226275418.db2.gz RBYDSPVFTYSTRL-SFDCQRBFSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@@H]1C ZINC000495062148 533943630 /nfs/dbraw/zinc/94/36/30/533943630.db2.gz AGOSBJSSMLIEEO-JMSVASOKSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@@H]1C ZINC000495062149 385669701 /nfs/dbraw/zinc/66/97/01/385669701.db2.gz AGOSBJSSMLIEEO-LALPHHSUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H]1C ZINC000495062150 256617162 /nfs/dbraw/zinc/61/71/62/256617162.db2.gz AGOSBJSSMLIEEO-TYNCELHUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H]1C ZINC000495062151 385670372 /nfs/dbraw/zinc/67/03/72/385670372.db2.gz AGOSBJSSMLIEEO-XUJVJEKNSA-N 1 0 249.373 3.737 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495064887 528246796 /nfs/dbraw/zinc/24/67/96/528246796.db2.gz DHUWQXHMCKIRRJ-GZBFAFLISA-N 1 0 247.382 3.528 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495064901 528246872 /nfs/dbraw/zinc/24/68/72/528246872.db2.gz DHUWQXHMCKIRRJ-KCQAQPDRSA-N 1 0 247.382 3.528 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495064902 528246930 /nfs/dbraw/zinc/24/69/30/528246930.db2.gz DHUWQXHMCKIRRJ-UMVBOHGHSA-N 1 0 247.382 3.528 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495064905 528246456 /nfs/dbraw/zinc/24/64/56/528246456.db2.gz DHUWQXHMCKIRRJ-VNHYZAJKSA-N 1 0 247.382 3.528 20 0 BHADRO C[N@H+](C/C=C/c1ccncc1)CC1CCCCC1 ZINC000495065109 529820122 /nfs/dbraw/zinc/82/01/22/529820122.db2.gz ZNNANIZVJZJVOD-VMPITWQZSA-N 1 0 244.382 3.607 20 0 BHADRO C[N@H+](C/C=C\c1ccncc1)CC1CCCCC1 ZINC000495065112 529820851 /nfs/dbraw/zinc/82/08/51/529820851.db2.gz ZNNANIZVJZJVOD-YVMONPNESA-N 1 0 244.382 3.607 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495067052 533529944 /nfs/dbraw/zinc/52/99/44/533529944.db2.gz NFJIKKURSQWKKC-NZHONMPCSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495067054 533549120 /nfs/dbraw/zinc/54/91/20/533549120.db2.gz NFJIKKURSQWKKC-PUXPGTEJSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495067056 533529421 /nfs/dbraw/zinc/52/94/21/533529421.db2.gz NFJIKKURSQWKKC-QOBXEIRBSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495067057 533549140 /nfs/dbraw/zinc/54/91/40/533549140.db2.gz NFJIKKURSQWKKC-ZSJJWGNYSA-N 1 0 239.309 3.660 20 0 BHADRO CC1CCC([N@H+](C)C/C=C\c2ccncc2)CC1 ZINC000495067405 528191422 /nfs/dbraw/zinc/19/14/22/528191422.db2.gz OCALCXCMPSGDGF-ARJAWSKDSA-N 1 0 244.382 3.605 20 0 BHADRO CC1CCC([N@H+](C)C/C=C/c2ccncc2)CC1 ZINC000495067408 528191124 /nfs/dbraw/zinc/19/11/24/528191124.db2.gz OCALCXCMPSGDGF-ONEGZZNKSA-N 1 0 244.382 3.605 20 0 BHADRO CCOc1c(Cl)cccc1C[N@H+](C)C(C)C ZINC000495068211 528176996 /nfs/dbraw/zinc/17/69/96/528176996.db2.gz QBZJEPJAAUEWIZ-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CCC1CCC([N@H+](C)C[C@@H]2CCSC2)CC1 ZINC000495069736 527841597 /nfs/dbraw/zinc/84/15/97/527841597.db2.gz SZCJYNRUTXBJFE-MOKVOYLWSA-N 1 0 241.444 3.640 20 0 BHADRO CCC1CCC([N@H+](C)C[C@H]2CCSC2)CC1 ZINC000495069738 527840826 /nfs/dbraw/zinc/84/08/26/527840826.db2.gz SZCJYNRUTXBJFE-ROKHWSDSSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000495071278 534162960 /nfs/dbraw/zinc/16/29/60/534162960.db2.gz BLMQDNYHYWECJN-SECBINFHSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000495071280 226276045 /nfs/dbraw/zinc/27/60/45/226276045.db2.gz BLMQDNYHYWECJN-VIFPVBQESA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)C/C=C\c2ccncc2)C1 ZINC000495071825 226275745 /nfs/dbraw/zinc/27/57/45/226275745.db2.gz YKVSMDJIYAIVMC-DURLZJIISA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)C/C=C\c2ccncc2)C1 ZINC000495071826 533762129 /nfs/dbraw/zinc/76/21/29/533762129.db2.gz YKVSMDJIYAIVMC-RXBJYRPYSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)C/C=C/c2ccncc2)C1 ZINC000495071827 533762585 /nfs/dbraw/zinc/76/25/85/533762585.db2.gz YKVSMDJIYAIVMC-UKWDMRDTSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)C/C=C/c2ccncc2)C1 ZINC000495071828 226275819 /nfs/dbraw/zinc/27/58/19/226275819.db2.gz YKVSMDJIYAIVMC-WQDDEOEWSA-N 1 0 244.382 3.605 20 0 BHADRO CC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000495072154 528256032 /nfs/dbraw/zinc/25/60/32/528256032.db2.gz CMURBVZMNIMTCV-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CCCC[N@H+](CC)Cc1scnc1C1CC1 ZINC000495072172 538927367 /nfs/dbraw/zinc/92/73/67/538927367.db2.gz CUSORPAZMGTLCH-UHFFFAOYSA-N 1 0 238.400 3.643 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC000495072687 226275762 /nfs/dbraw/zinc/27/57/62/226275762.db2.gz FSXFNGOPKNAHPW-SECBINFHSA-N 1 0 229.776 3.776 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC000495072688 226275734 /nfs/dbraw/zinc/27/57/34/226275734.db2.gz FSXFNGOPKNAHPW-VIFPVBQESA-N 1 0 229.776 3.776 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)[C@@H]1C ZINC000495072901 226275995 /nfs/dbraw/zinc/27/59/95/226275995.db2.gz VGOMUHUDJWAIDE-OMNBBPDLSA-N 1 0 243.394 3.642 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)[C@H]1C ZINC000495072902 226276048 /nfs/dbraw/zinc/27/60/48/226276048.db2.gz VGOMUHUDJWAIDE-OQUILHJVSA-N 1 0 243.394 3.642 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)[C@H]1C ZINC000495072903 533966418 /nfs/dbraw/zinc/96/64/18/533966418.db2.gz VGOMUHUDJWAIDE-OSRSDYAFSA-N 1 0 243.394 3.642 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)[C@@H]1C ZINC000495072904 533966265 /nfs/dbraw/zinc/96/62/65/533966265.db2.gz VGOMUHUDJWAIDE-UTJXIGIESA-N 1 0 243.394 3.642 20 0 BHADRO CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000495075257 528256534 /nfs/dbraw/zinc/25/65/34/528256534.db2.gz PPYDPENLFWUHCN-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCSC1)C1CCCCC1 ZINC000495076555 528936810 /nfs/dbraw/zinc/93/68/10/528936810.db2.gz AEHNLGOYHJXQBQ-CYBMUJFWSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCSC1)C1CCCCC1 ZINC000495076556 528925784 /nfs/dbraw/zinc/92/57/84/528925784.db2.gz AEHNLGOYHJXQBQ-ZDUSSCGKSA-N 1 0 241.444 3.783 20 0 BHADRO CCCCC[N@H+](C/C=C/c1ccncc1)C(C)C ZINC000495076837 528164497 /nfs/dbraw/zinc/16/44/97/528164497.db2.gz BRRBUZHGJHNZLS-BQYQJAHWSA-N 1 0 246.398 3.995 20 0 BHADRO CCCCC[N@H+](C/C=C\c1ccncc1)C(C)C ZINC000495076838 528164144 /nfs/dbraw/zinc/16/41/44/528164144.db2.gz BRRBUZHGJHNZLS-FPLPWBNLSA-N 1 0 246.398 3.995 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H]1C ZINC000495077162 533943809 /nfs/dbraw/zinc/94/38/09/533943809.db2.gz CIXXTIAYHPYLJI-FMKPAKJESA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H]1C ZINC000495077163 533644427 /nfs/dbraw/zinc/64/44/27/533644427.db2.gz CIXXTIAYHPYLJI-IIAWOOMASA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H]1C ZINC000495077164 533644609 /nfs/dbraw/zinc/64/46/09/533644609.db2.gz CIXXTIAYHPYLJI-IJEWVQPXSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H]1C ZINC000495077165 533942900 /nfs/dbraw/zinc/94/29/00/533942900.db2.gz CIXXTIAYHPYLJI-YCPHGPKFSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H]1C ZINC000495077914 533944052 /nfs/dbraw/zinc/94/40/52/533944052.db2.gz GUXCMKLJARIFLW-JMSVASOKSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H]1C ZINC000495077915 385673205 /nfs/dbraw/zinc/67/32/05/385673205.db2.gz GUXCMKLJARIFLW-LALPHHSUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H]1C ZINC000495077916 385673125 /nfs/dbraw/zinc/67/31/25/385673125.db2.gz GUXCMKLJARIFLW-TYNCELHUSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H]1C ZINC000495077919 533942951 /nfs/dbraw/zinc/94/29/51/533942951.db2.gz GUXCMKLJARIFLW-XUJVJEKNSA-N 1 0 249.373 3.737 20 0 BHADRO CC(C)C[N@H+](C[C@H]1CCSC1)C1CCCC1 ZINC000495078094 527945026 /nfs/dbraw/zinc/94/50/26/527945026.db2.gz HTOVVXJBWVRKJH-CYBMUJFWSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1CCSC1)C1CCCC1 ZINC000495078096 527944181 /nfs/dbraw/zinc/94/41/81/527944181.db2.gz HTOVVXJBWVRKJH-ZDUSSCGKSA-N 1 0 241.444 3.640 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCSC1)C(C)C ZINC000495078746 528181527 /nfs/dbraw/zinc/18/15/27/528181527.db2.gz KTFOCNVCOFBMFN-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCSC1)C(C)C ZINC000495078747 528181139 /nfs/dbraw/zinc/18/11/39/528181139.db2.gz KTFOCNVCOFBMFN-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@@H+](Cc1cc(Cl)cs1)CC(C)C ZINC000495080264 528767314 /nfs/dbraw/zinc/76/73/14/528767314.db2.gz QJRUSNCROQOOQU-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCSC2)cc1 ZINC000495080269 226276335 /nfs/dbraw/zinc/27/63/35/226276335.db2.gz QMXIPTLXMNNMLT-KBPBESRZSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCSC2)cc1 ZINC000495080270 226276141 /nfs/dbraw/zinc/27/61/41/226276141.db2.gz QMXIPTLXMNNMLT-KGLIPLIRSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCSC2)cc1 ZINC000495080271 226276177 /nfs/dbraw/zinc/27/61/77/226276177.db2.gz QMXIPTLXMNNMLT-UONOGXRCSA-N 1 0 249.423 3.741 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCSC2)cc1 ZINC000495080272 226276327 /nfs/dbraw/zinc/27/63/27/226276327.db2.gz QMXIPTLXMNNMLT-ZIAGYGMSSA-N 1 0 249.423 3.741 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)[C@H]1C ZINC000495080845 226276375 /nfs/dbraw/zinc/27/63/75/226276375.db2.gz SAXSODQEHUIIDO-IPYPFGDCSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)[C@@H]1C ZINC000495080846 226276174 /nfs/dbraw/zinc/27/61/74/226276174.db2.gz SAXSODQEHUIIDO-NFAWXSAZSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)[C@@H]1C ZINC000495080847 533639649 /nfs/dbraw/zinc/63/96/49/533639649.db2.gz SAXSODQEHUIIDO-UMVBOHGHSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)[C@H]1C ZINC000495080848 533640030 /nfs/dbraw/zinc/64/00/30/533640030.db2.gz SAXSODQEHUIIDO-VNHYZAJKSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)[C@@H]1C ZINC000495080889 533961155 /nfs/dbraw/zinc/96/11/55/533961155.db2.gz SNIHFDVHDVZUHW-HSMRXVHUSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)[C@H]1C ZINC000495080890 533961120 /nfs/dbraw/zinc/96/11/20/533961120.db2.gz SNIHFDVHDVZUHW-IEHFGQBSSA-N 1 0 243.394 3.957 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495081033 533976375 /nfs/dbraw/zinc/97/63/75/533976375.db2.gz FRZLDPSYAMMTSX-COPLHBTASA-N 1 0 243.350 3.875 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495081034 533976671 /nfs/dbraw/zinc/97/66/71/533976671.db2.gz FRZLDPSYAMMTSX-JTNHKYCSSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495081035 533977669 /nfs/dbraw/zinc/97/76/69/533977669.db2.gz FRZLDPSYAMMTSX-MISXGVKJSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495081036 533977481 /nfs/dbraw/zinc/97/74/81/533977481.db2.gz FRZLDPSYAMMTSX-UHIISALHSA-N 1 0 243.350 3.875 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(C)C ZINC000495085069 226276349 /nfs/dbraw/zinc/27/63/49/226276349.db2.gz NXUVUPIZMRVKKH-BYNSBNAKSA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(C)C ZINC000495085070 226276316 /nfs/dbraw/zinc/27/63/16/226276316.db2.gz NXUVUPIZMRVKKH-GBJTYRQASA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000495085071 226276400 /nfs/dbraw/zinc/27/64/00/226276400.db2.gz NXUVUPIZMRVKKH-KBUPBQIOSA-N 1 0 246.398 3.721 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000495085072 226276269 /nfs/dbraw/zinc/27/62/69/226276269.db2.gz NXUVUPIZMRVKKH-LXTVHRRPSA-N 1 0 246.398 3.721 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)o1 ZINC000495085721 533830676 /nfs/dbraw/zinc/83/06/76/533830676.db2.gz PANUSWFLCLUIIC-HTTKSJEASA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)o1 ZINC000495085723 533830640 /nfs/dbraw/zinc/83/06/40/533830640.db2.gz PANUSWFLCLUIIC-NDPMZMCLSA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)o1 ZINC000495085725 533830054 /nfs/dbraw/zinc/83/00/54/533830054.db2.gz PANUSWFLCLUIIC-REJLFOLJSA-N 1 0 235.371 3.543 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)o1 ZINC000495085727 533829871 /nfs/dbraw/zinc/82/98/71/533829871.db2.gz PANUSWFLCLUIIC-TZQJONAQSA-N 1 0 235.371 3.543 20 0 BHADRO CC[N@@H+](Cc1ccccc1C)C[C@@H]1CCSC1 ZINC000495090131 528836632 /nfs/dbraw/zinc/83/66/32/528836632.db2.gz ZZHPMFROINUBBW-AWEZNQCLSA-N 1 0 249.423 3.570 20 0 BHADRO CC[N@@H+](Cc1ccccc1C)C[C@H]1CCSC1 ZINC000495090137 528836915 /nfs/dbraw/zinc/83/69/15/528836915.db2.gz ZZHPMFROINUBBW-CQSZACIVSA-N 1 0 249.423 3.570 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495092151 534801936 /nfs/dbraw/zinc/80/19/36/534801936.db2.gz HAOQRNQAWNBXCA-IIAWOOMASA-N 1 0 243.394 3.661 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495092152 534801793 /nfs/dbraw/zinc/80/17/93/534801793.db2.gz HAOQRNQAWNBXCA-IJEWVQPXSA-N 1 0 243.394 3.661 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000495092153 534802711 /nfs/dbraw/zinc/80/27/11/534802711.db2.gz HAOQRNQAWNBXCA-OFQRWUPVSA-N 1 0 243.394 3.661 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000495092154 534802306 /nfs/dbraw/zinc/80/23/06/534802306.db2.gz HAOQRNQAWNBXCA-SQWLQELKSA-N 1 0 243.394 3.661 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccncc1 ZINC000495092440 528380494 /nfs/dbraw/zinc/38/04/94/528380494.db2.gz HQYJLZCQINTYTA-IMMZDGJCSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000495092441 528590909 /nfs/dbraw/zinc/59/09/09/528590909.db2.gz HQYJLZCQINTYTA-LLCTXKFZSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1C/C=C\c1ccncc1 ZINC000495092442 528591130 /nfs/dbraw/zinc/59/11/30/528591130.db2.gz HQYJLZCQINTYTA-OICCZTGUSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000495092443 528380819 /nfs/dbraw/zinc/38/08/19/528380819.db2.gz HQYJLZCQINTYTA-WMHVBEDNSA-N 1 0 244.382 3.605 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495092933 226276433 /nfs/dbraw/zinc/27/64/33/226276433.db2.gz NFJIKKURSQWKKC-RBQUTUCGSA-N 1 0 239.309 3.660 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495092934 226276612 /nfs/dbraw/zinc/27/66/12/226276612.db2.gz NFJIKKURSQWKKC-YCWTYVPXSA-N 1 0 239.309 3.660 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000495095339 226276443 /nfs/dbraw/zinc/27/64/43/226276443.db2.gz WZFIRWCPSSCJJA-DSJMHWKBSA-N 1 0 231.383 3.733 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000495095340 226276456 /nfs/dbraw/zinc/27/64/56/226276456.db2.gz WZFIRWCPSSCJJA-HGTKMLMNSA-N 1 0 231.383 3.733 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000495095341 226276642 /nfs/dbraw/zinc/27/66/42/226276642.db2.gz WZFIRWCPSSCJJA-IXYNUQLISA-N 1 0 231.383 3.733 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000495095342 226276627 /nfs/dbraw/zinc/27/66/27/226276627.db2.gz WZFIRWCPSSCJJA-KNCOVGOOSA-N 1 0 231.383 3.733 20 0 BHADRO CCC(CC)C[N@H+](CC)C/C=C/c1ccncc1 ZINC000495099132 528742502 /nfs/dbraw/zinc/74/25/02/528742502.db2.gz PNRIMGQEUKKACJ-BQYQJAHWSA-N 1 0 246.398 3.853 20 0 BHADRO CCC(CC)C[N@H+](CC)C/C=C\c1ccncc1 ZINC000495099133 528742587 /nfs/dbraw/zinc/74/25/87/528742587.db2.gz PNRIMGQEUKKACJ-FPLPWBNLSA-N 1 0 246.398 3.853 20 0 BHADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CC2 ZINC000495166394 528150667 /nfs/dbraw/zinc/15/06/67/528150667.db2.gz WBOPUZZXCBWWOB-INIZCTEOSA-N 1 0 229.367 3.797 20 0 BHADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1CC1)CC2 ZINC000495166395 528154553 /nfs/dbraw/zinc/15/45/53/528154553.db2.gz WBOPUZZXCBWWOB-MRXNPFEDSA-N 1 0 229.367 3.797 20 0 BHADRO C[N@H+](Cc1cc(Cl)cs1)CC(C)(C)C ZINC000495171672 529978427 /nfs/dbraw/zinc/97/84/27/529978427.db2.gz ITZFLGYXAMKOOG-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+]CC3CC3)oc2c1 ZINC000495258315 534472680 /nfs/dbraw/zinc/47/26/80/534472680.db2.gz ALLVPHXWIKSDMN-LLVKDONJSA-N 1 0 229.323 3.802 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+]CC3CC3)oc2c1 ZINC000495258316 534474209 /nfs/dbraw/zinc/47/42/09/534474209.db2.gz ALLVPHXWIKSDMN-NSHDSACASA-N 1 0 229.323 3.802 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1cncs1 ZINC000495410356 533326782 /nfs/dbraw/zinc/32/67/82/533326782.db2.gz VSULXVWOGOEPIO-FZKGZDJFSA-N 1 0 244.363 3.507 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccccc1)c1cncs1 ZINC000495410357 533788827 /nfs/dbraw/zinc/78/88/27/533788827.db2.gz VSULXVWOGOEPIO-JECSTDCCSA-N 1 0 244.363 3.507 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cncs1 ZINC000495410358 533327595 /nfs/dbraw/zinc/32/75/95/533327595.db2.gz VSULXVWOGOEPIO-VVEJJEBESA-N 1 0 244.363 3.507 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1cncs1 ZINC000495410359 533789014 /nfs/dbraw/zinc/78/90/14/533789014.db2.gz VSULXVWOGOEPIO-ZCRIDZFUSA-N 1 0 244.363 3.507 20 0 BHADRO CC(C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000495499829 527742467 /nfs/dbraw/zinc/74/24/67/527742467.db2.gz OYTHHKOYEQLPGU-INIZCTEOSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000495499830 527743945 /nfs/dbraw/zinc/74/39/45/527743945.db2.gz OYTHHKOYEQLPGU-MRXNPFEDSA-N 1 0 231.383 3.643 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(OC(F)F)c1 ZINC000496113422 528003707 /nfs/dbraw/zinc/00/37/07/528003707.db2.gz WCAUWNZDGMIOPD-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO Cc1cccc(C[N@H+](C)CCC(C)(C)C)c1 ZINC000496836162 226315478 /nfs/dbraw/zinc/31/54/78/226315478.db2.gz FBSHSJMLIFPVMW-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO CC[N@H+](CCC(C)(C)C)Cc1ccc(OC)cc1 ZINC000496836690 528405367 /nfs/dbraw/zinc/40/53/67/528405367.db2.gz GNDGWQXCHOCICJ-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(F)cc1F ZINC000496855501 529873523 /nfs/dbraw/zinc/87/35/23/529873523.db2.gz VCOZLQDQNBYGKD-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000496884750 527663411 /nfs/dbraw/zinc/66/34/11/527663411.db2.gz USGPNAJOXMUQHE-CYBMUJFWSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000496884751 527663497 /nfs/dbraw/zinc/66/34/97/527663497.db2.gz USGPNAJOXMUQHE-ZDUSSCGKSA-N 1 0 209.377 3.687 20 0 BHADRO CCC(CC)[N@H+](CCOC)CCC(C)(C)C ZINC000496898633 528779612 /nfs/dbraw/zinc/77/96/12/528779612.db2.gz NTNQPABUVIQMGA-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(F)c(F)c1 ZINC000496900222 529873508 /nfs/dbraw/zinc/87/35/08/529873508.db2.gz TWHPWFIXMZBSJH-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC000496915715 533761403 /nfs/dbraw/zinc/76/14/03/533761403.db2.gz HKWKESHBJBJSBS-CHWSQXEVSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC000496915716 226317354 /nfs/dbraw/zinc/31/73/54/226317354.db2.gz HKWKESHBJBJSBS-OLZOCXBDSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC000496915717 226317343 /nfs/dbraw/zinc/31/73/43/226317343.db2.gz HKWKESHBJBJSBS-QWHCGFSZSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC000496915718 226317485 /nfs/dbraw/zinc/31/74/85/226317485.db2.gz HKWKESHBJBJSBS-STQMWFEESA-N 1 0 211.393 3.933 20 0 BHADRO CC1(C)CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000496916587 528939154 /nfs/dbraw/zinc/93/91/54/528939154.db2.gz OZYQKHMSYSQPGS-UHFFFAOYSA-N 1 0 240.350 3.861 20 0 BHADRO CC(C)CC[N@H+](CCC(C)(C)C)C1CC1 ZINC000496916718 527716786 /nfs/dbraw/zinc/71/67/86/527716786.db2.gz QVWJZJOZMYKDJE-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)CCC(C)(C)C ZINC000496933358 529933241 /nfs/dbraw/zinc/93/32/41/529933241.db2.gz FKMAGJRONWJSIJ-UHFFFAOYSA-N 1 0 237.362 3.736 20 0 BHADRO COc1ccc(C[N@H+](C)CCC(C)(C)C)cc1C ZINC000496950053 533536545 /nfs/dbraw/zinc/53/65/45/533536545.db2.gz IQRAFYGSPHIEMF-UHFFFAOYSA-N 1 0 249.398 3.872 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(C)(C)C)s1 ZINC000496952353 533872525 /nfs/dbraw/zinc/87/25/25/533872525.db2.gz SWSCECABIHYDKP-UHFFFAOYSA-N 1 0 225.401 3.925 20 0 BHADRO Cc1cccc(C)c1OCCC[N@@H+](C)CC(C)C ZINC000496966492 226318957 /nfs/dbraw/zinc/31/89/57/226318957.db2.gz HEVKOTFWOXWKHB-UHFFFAOYSA-N 1 0 249.398 3.660 20 0 BHADRO C[N@H+](CCCOc1ccccc1)CCC(C)(C)C ZINC000496968112 529896192 /nfs/dbraw/zinc/89/61/92/529896192.db2.gz PFPCDJPJXNENGL-UHFFFAOYSA-N 1 0 249.398 3.824 20 0 BHADRO CC[N@H+](CCCOc1c(C)cccc1C)C1CC1 ZINC000496985558 528471668 /nfs/dbraw/zinc/47/16/68/528471668.db2.gz QGXRDMUVAYYNJY-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](CCCOc1c(C)cccc1C)C(C)C ZINC000496987946 528471192 /nfs/dbraw/zinc/47/11/92/528471192.db2.gz YDTTVKRHXGKATP-UHFFFAOYSA-N 1 0 249.398 3.803 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000497012967 527664118 /nfs/dbraw/zinc/66/41/18/527664118.db2.gz AHCKZOJGMCGKFW-HNNXBMFYSA-N 1 0 231.383 3.912 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000497012968 527664827 /nfs/dbraw/zinc/66/48/27/527664827.db2.gz AHCKZOJGMCGKFW-OAHLLOKOSA-N 1 0 231.383 3.912 20 0 BHADRO CCC[N@H+](CCC(C)(C)C)C[C@@H]1CCCCO1 ZINC000497017055 528033533 /nfs/dbraw/zinc/03/35/33/528033533.db2.gz MTGPCKZTKPYXHS-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[N@H+](CCC(C)(C)C)C[C@H]1CCCCO1 ZINC000497017060 528032657 /nfs/dbraw/zinc/03/26/57/528032657.db2.gz MTGPCKZTKPYXHS-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497358525 384999590 /nfs/dbraw/zinc/99/95/90/384999590.db2.gz SKSOQAXBEHPIRA-AWEZNQCLSA-N 1 0 205.345 3.726 20 0 BHADRO CCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497358526 384998289 /nfs/dbraw/zinc/99/82/89/384998289.db2.gz SKSOQAXBEHPIRA-CQSZACIVSA-N 1 0 205.345 3.726 20 0 BHADRO CC(C)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497364590 385004876 /nfs/dbraw/zinc/00/48/76/385004876.db2.gz LMKIMMAOHDFNLX-HNNXBMFYSA-N 1 0 219.372 3.972 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497364595 385005084 /nfs/dbraw/zinc/00/50/84/385005084.db2.gz LMKIMMAOHDFNLX-OAHLLOKOSA-N 1 0 219.372 3.972 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000497370276 385013910 /nfs/dbraw/zinc/01/39/10/385013910.db2.gz XMTPDTLWVFSFKN-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000497386679 385027158 /nfs/dbraw/zinc/02/71/58/385027158.db2.gz JLJUJVJOSNGDTG-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000497416098 385063964 /nfs/dbraw/zinc/06/39/64/385063964.db2.gz IFZUIZQSQLBTSO-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC(C)OCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497421507 385065382 /nfs/dbraw/zinc/06/53/82/385065382.db2.gz XEFNLUJJEBVWNU-INIZCTEOSA-N 1 0 249.398 3.741 20 0 BHADRO CC(C)OCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497421508 385067564 /nfs/dbraw/zinc/06/75/64/385067564.db2.gz XEFNLUJJEBVWNU-MRXNPFEDSA-N 1 0 249.398 3.741 20 0 BHADRO COc1ccc(CCC[N@H+](C)CC=C(C)C)cc1 ZINC000497461910 385110944 /nfs/dbraw/zinc/11/09/44/385110944.db2.gz ZLVXAGOIBKAAAR-UHFFFAOYSA-N 1 0 247.382 3.526 20 0 BHADRO CC1(C)CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000497474456 385123370 /nfs/dbraw/zinc/12/33/70/385123370.db2.gz VOKLUQGSSWUQJM-POHAHGRESA-N 1 0 229.367 3.822 20 0 BHADRO CC1(C)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000497474457 385124911 /nfs/dbraw/zinc/12/49/11/385124911.db2.gz VOKLUQGSSWUQJM-UXBLZVDNSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cn1 ZINC000497523937 385166660 /nfs/dbraw/zinc/16/66/60/385166660.db2.gz XMSQCYVXAPZDLD-CYBMUJFWSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cn1 ZINC000497523952 385164939 /nfs/dbraw/zinc/16/49/39/385164939.db2.gz XMSQCYVXAPZDLD-ZDUSSCGKSA-N 1 0 238.350 3.554 20 0 BHADRO CCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497524534 385166236 /nfs/dbraw/zinc/16/62/36/385166236.db2.gz GZNZUOUXZWYTBR-HNNXBMFYSA-N 1 0 233.330 3.761 20 0 BHADRO CCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497524562 528547918 /nfs/dbraw/zinc/54/79/18/528547918.db2.gz GZNZUOUXZWYTBR-OAHLLOKOSA-N 1 0 233.330 3.761 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C)CC1 ZINC000497590349 259385954 /nfs/dbraw/zinc/38/59/54/259385954.db2.gz FGNMAXZFTUVSRP-LLVKDONJSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C)CC1 ZINC000497590350 259385597 /nfs/dbraw/zinc/38/55/97/259385597.db2.gz FGNMAXZFTUVSRP-NSHDSACASA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C)CC1 ZINC000497590869 259385841 /nfs/dbraw/zinc/38/58/41/259385841.db2.gz PILSUFNTDPSTIP-LLVKDONJSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000497590924 259385853 /nfs/dbraw/zinc/38/58/53/259385853.db2.gz QLCDFYXQVOAWJC-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000497590925 259385832 /nfs/dbraw/zinc/38/58/32/259385832.db2.gz QLCDFYXQVOAWJC-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000497590926 259385893 /nfs/dbraw/zinc/38/58/93/259385893.db2.gz QLCDFYXQVOAWJC-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000497591290 259386022 /nfs/dbraw/zinc/38/60/22/259386022.db2.gz XWXIBPILNTUMEF-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000497591291 259386005 /nfs/dbraw/zinc/38/60/05/259386005.db2.gz XWXIBPILNTUMEF-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000497591292 259385677 /nfs/dbraw/zinc/38/56/77/259385677.db2.gz XWXIBPILNTUMEF-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000497591293 259385613 /nfs/dbraw/zinc/38/56/13/259385613.db2.gz XWXIBPILNTUMEF-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCCCCC1 ZINC000497608558 385222342 /nfs/dbraw/zinc/22/23/42/385222342.db2.gz AIGNCABHXZIYBI-NSHDSACASA-N 1 0 239.309 3.902 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCCCCC1 ZINC000497610414 385225516 /nfs/dbraw/zinc/22/55/16/385225516.db2.gz KEZWEBSKVYSBJE-LLVKDONJSA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000497824368 385381466 /nfs/dbraw/zinc/38/14/66/385381466.db2.gz ZBILFGPJVQEKCF-AWEZNQCLSA-N 1 0 238.350 3.554 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000497824369 527742026 /nfs/dbraw/zinc/74/20/26/527742026.db2.gz ZBILFGPJVQEKCF-CQSZACIVSA-N 1 0 238.350 3.554 20 0 BHADRO CCCCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000497839409 385384807 /nfs/dbraw/zinc/38/48/07/385384807.db2.gz HWUZYHSNTXPQDL-AWEZNQCLSA-N 1 0 238.350 3.698 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000497839410 385384958 /nfs/dbraw/zinc/38/49/58/385384958.db2.gz HWUZYHSNTXPQDL-CQSZACIVSA-N 1 0 238.350 3.698 20 0 BHADRO CCCC[N@H+](CC)[C@@H](CCOC)c1ccccc1 ZINC000497847129 385387282 /nfs/dbraw/zinc/38/72/82/385387282.db2.gz NPGVMWOASMBIPG-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CCCC[N@H+](CC)[C@H](CCOC)c1ccccc1 ZINC000497847135 385387302 /nfs/dbraw/zinc/38/73/02/385387302.db2.gz NPGVMWOASMBIPG-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO CC(C)(C[NH2+]Cc1cc[nH]c1)C1CCCCC1 ZINC000498349566 527171695 /nfs/dbraw/zinc/17/16/95/527171695.db2.gz FRVJDAQCEFRYJK-UHFFFAOYSA-N 1 0 234.387 3.711 20 0 BHADRO Cc1ccc(F)c([C@H](C)C2CC[NH+](C)CC2)c1 ZINC000498395320 225166541 /nfs/dbraw/zinc/16/65/41/225166541.db2.gz CJRMMGKKKYXKEH-GFCCVEGCSA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc(F)c([C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000498395321 225166283 /nfs/dbraw/zinc/16/62/83/225166283.db2.gz CJRMMGKKKYXKEH-LBPRGKRZSA-N 1 0 235.346 3.579 20 0 BHADRO COCC[C@@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000498485472 225263286 /nfs/dbraw/zinc/26/32/86/225263286.db2.gz RYDSNZUHCFXJMB-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000498485476 225262749 /nfs/dbraw/zinc/26/27/49/225262749.db2.gz RYDSNZUHCFXJMB-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[N@H+](CCSC)CC1CCCCC1 ZINC000498808419 528102684 /nfs/dbraw/zinc/10/26/84/528102684.db2.gz XWYVVWVALOGWCF-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CCC[C@@H](C)N(C)c1cc[nH+]c2ccccc21 ZINC000498836682 528888542 /nfs/dbraw/zinc/88/85/42/528888542.db2.gz QRVLEWUXBKTJST-GFCCVEGCSA-N 1 0 228.339 3.860 20 0 BHADRO CCC[C@H](C)N(C)c1cc[nH+]c2ccccc21 ZINC000498836683 528049638 /nfs/dbraw/zinc/04/96/38/528049638.db2.gz QRVLEWUXBKTJST-LBPRGKRZSA-N 1 0 228.339 3.860 20 0 BHADRO CC(C)CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000498889114 527720607 /nfs/dbraw/zinc/72/06/07/527720607.db2.gz IBVRCEDDNZKSJA-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO c1ccc2c(c1)CCC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000498941291 386396711 /nfs/dbraw/zinc/39/67/11/386396711.db2.gz RORWYVPOVADZDN-INIZCTEOSA-N 1 0 227.351 3.544 20 0 BHADRO c1ccc2c(c1)CCC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000498941298 386396957 /nfs/dbraw/zinc/39/69/57/386396957.db2.gz RORWYVPOVADZDN-MRXNPFEDSA-N 1 0 227.351 3.544 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1ccc(O)cc1 ZINC000499088272 529877497 /nfs/dbraw/zinc/87/74/97/529877497.db2.gz NATLMGOXTIYLPH-UHFFFAOYSA-N 1 0 247.382 3.794 20 0 BHADRO CCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000499096364 528439948 /nfs/dbraw/zinc/43/99/48/528439948.db2.gz XAEJGDKYCHXWPR-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000499150398 529181916 /nfs/dbraw/zinc/18/19/16/529181916.db2.gz WMXFBDFDAQNKDK-AAEUAGOBSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000499150405 529375586 /nfs/dbraw/zinc/37/55/86/529375586.db2.gz WMXFBDFDAQNKDK-DGCLKSJQSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000499150406 529182251 /nfs/dbraw/zinc/18/22/51/529182251.db2.gz WMXFBDFDAQNKDK-WCQYABFASA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000499150409 529374840 /nfs/dbraw/zinc/37/48/40/529374840.db2.gz WMXFBDFDAQNKDK-YPMHNXCESA-N 1 0 241.325 3.641 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@@H](C(C)C)C2)c1Cl ZINC000499154457 226323606 /nfs/dbraw/zinc/32/36/06/226323606.db2.gz UODMETVBJRQHJY-LLVKDONJSA-N 1 0 238.762 3.526 20 0 BHADRO Cc1[nH+]ccc(N2CC[C@H](C(C)C)C2)c1Cl ZINC000499154458 226323451 /nfs/dbraw/zinc/32/34/51/226323451.db2.gz UODMETVBJRQHJY-NSHDSACASA-N 1 0 238.762 3.526 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H]1CCCOC1)C(C)(C)C ZINC000499219404 527850954 /nfs/dbraw/zinc/85/09/54/527850954.db2.gz PMFDUFVXZKXTTH-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H]1CCCOC1)C(C)(C)C ZINC000499219405 527849370 /nfs/dbraw/zinc/84/93/70/527849370.db2.gz PMFDUFVXZKXTTH-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H]1CCCOC1)C(C)(C)C ZINC000499219406 527811693 /nfs/dbraw/zinc/81/16/93/527811693.db2.gz PMFDUFVXZKXTTH-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H]1CCCOC1)C(C)(C)C ZINC000499219407 527811027 /nfs/dbraw/zinc/81/10/27/527811027.db2.gz PMFDUFVXZKXTTH-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[N@H+](CCCC(C)(C)C)C1CCOCC1 ZINC000499537935 528880703 /nfs/dbraw/zinc/88/07/03/528880703.db2.gz LDDAUOREYYTZTI-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C(C)C)C1CCOCC1 ZINC000499539593 528459122 /nfs/dbraw/zinc/45/91/22/528459122.db2.gz SMSZWENPNAUJRM-AWEZNQCLSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C(C)C)C1CCOCC1 ZINC000499539594 528249740 /nfs/dbraw/zinc/24/97/40/528249740.db2.gz SMSZWENPNAUJRM-CQSZACIVSA-N 1 0 241.419 3.558 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCCC1CCOCC1 ZINC000499546656 528538172 /nfs/dbraw/zinc/53/81/72/528538172.db2.gz RRTXWSAMSDHWGO-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](Cc1cccnc1)C(C)C ZINC000499580964 528458714 /nfs/dbraw/zinc/45/87/14/528458714.db2.gz DPGMUTTWYDKYSE-HNNXBMFYSA-N 1 0 248.414 3.974 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](Cc1cccnc1)C(C)C ZINC000499580965 528250513 /nfs/dbraw/zinc/25/05/13/528250513.db2.gz DPGMUTTWYDKYSE-OAHLLOKOSA-N 1 0 248.414 3.974 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000499586881 528459033 /nfs/dbraw/zinc/45/90/33/528459033.db2.gz CEAYXIKIHHFVGU-KBPBESRZSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000499586886 528250664 /nfs/dbraw/zinc/25/06/64/528250664.db2.gz CEAYXIKIHHFVGU-KGLIPLIRSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000499586888 528458233 /nfs/dbraw/zinc/45/82/33/528458233.db2.gz CEAYXIKIHHFVGU-UONOGXRCSA-N 1 0 234.387 3.757 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000499586889 528249359 /nfs/dbraw/zinc/24/93/59/528249359.db2.gz CEAYXIKIHHFVGU-ZIAGYGMSSA-N 1 0 234.387 3.757 20 0 BHADRO COCC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC000499601113 226324413 /nfs/dbraw/zinc/32/44/13/226324413.db2.gz SPTVFBPOGQEGFX-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)[NH+](CCCCC1CCOCC1)C(C)C ZINC000499601754 528880361 /nfs/dbraw/zinc/88/03/61/528880361.db2.gz DYWJFLSNLJYVGE-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO COC[C@@H]([NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC000499602132 226324295 /nfs/dbraw/zinc/32/42/95/226324295.db2.gz JYRKYFFHBYLZFO-GDBMZVCRSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@@H]([NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC000499602133 226324448 /nfs/dbraw/zinc/32/44/48/226324448.db2.gz JYRKYFFHBYLZFO-GOEBONIOSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H]([NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC000499602134 533087819 /nfs/dbraw/zinc/08/78/19/533087819.db2.gz JYRKYFFHBYLZFO-HOCLYGCPSA-N 1 0 249.398 3.646 20 0 BHADRO COC[C@H]([NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC000499602135 533090905 /nfs/dbraw/zinc/09/09/05/533090905.db2.gz JYRKYFFHBYLZFO-ZBFHGGJFSA-N 1 0 249.398 3.646 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)C)C1CCOCC1 ZINC000499608402 529596017 /nfs/dbraw/zinc/59/60/17/529596017.db2.gz FARBJLFLVHTNSF-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(C)C)C1CCOCC1 ZINC000499608403 529160546 /nfs/dbraw/zinc/16/05/46/529160546.db2.gz FARBJLFLVHTNSF-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000499616932 528462004 /nfs/dbraw/zinc/46/20/04/528462004.db2.gz CEQYYQBXTSGRPI-BBRMVZONSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000499616937 528253916 /nfs/dbraw/zinc/25/39/16/528253916.db2.gz CEQYYQBXTSGRPI-CJNGLKHVSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000499616939 528253653 /nfs/dbraw/zinc/25/36/53/528253653.db2.gz CEQYYQBXTSGRPI-CZUORRHYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000499616940 528462200 /nfs/dbraw/zinc/46/22/00/528462200.db2.gz CEQYYQBXTSGRPI-XJKSGUPXSA-N 1 0 246.398 3.805 20 0 BHADRO C[N@H+](CCCC(C)(C)C)CCc1ccccc1O ZINC000499617975 529880794 /nfs/dbraw/zinc/88/07/94/529880794.db2.gz HKJBPGFWHWMXAF-UHFFFAOYSA-N 1 0 249.398 3.693 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)CCc1ccccc1O ZINC000499621064 528458597 /nfs/dbraw/zinc/45/85/97/528458597.db2.gz VGAMNOKZWMRQNY-AWEZNQCLSA-N 1 0 249.398 3.549 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)CCc1ccccc1O ZINC000499621065 528249975 /nfs/dbraw/zinc/24/99/75/528249975.db2.gz VGAMNOKZWMRQNY-CQSZACIVSA-N 1 0 249.398 3.549 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000499621082 527662701 /nfs/dbraw/zinc/66/27/01/527662701.db2.gz VHXPNHOITZMXOD-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000499621083 527662073 /nfs/dbraw/zinc/66/20/73/527662073.db2.gz VHXPNHOITZMXOD-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000499622895 529681618 /nfs/dbraw/zinc/68/16/18/529681618.db2.gz CRFLLYFNSUEDJS-KBPBESRZSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000499622896 529681476 /nfs/dbraw/zinc/68/14/76/529681476.db2.gz CRFLLYFNSUEDJS-KGLIPLIRSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000499622897 529677298 /nfs/dbraw/zinc/67/72/98/529677298.db2.gz CRFLLYFNSUEDJS-UONOGXRCSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000499622898 529678223 /nfs/dbraw/zinc/67/82/23/529678223.db2.gz CRFLLYFNSUEDJS-ZIAGYGMSSA-N 1 0 248.414 3.977 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccnn1C(C)C ZINC000499627514 528368682 /nfs/dbraw/zinc/36/86/82/528368682.db2.gz UQASXHDRNUPPGZ-AWEZNQCLSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccnn1C(C)C ZINC000499627516 527739058 /nfs/dbraw/zinc/73/90/58/527739058.db2.gz UQASXHDRNUPPGZ-CQSZACIVSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@H](C)CC(C)C)cn1 ZINC000499627929 533633638 /nfs/dbraw/zinc/63/36/38/533633638.db2.gz WBPPYHSBSLJUOP-CYBMUJFWSA-N 1 0 248.414 3.897 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@@H](C)CC(C)C)cn1 ZINC000499627930 533633319 /nfs/dbraw/zinc/63/33/19/533633319.db2.gz WBPPYHSBSLJUOP-ZDUSSCGKSA-N 1 0 248.414 3.897 20 0 BHADRO COC[C@H]1CCCC[N@H+](CCCC(C)(C)C)C1 ZINC000499630605 533124533 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3.512 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000500118170 528890850 /nfs/dbraw/zinc/89/08/50/528890850.db2.gz SLFSTGAUSOYLGZ-SNVBAGLBSA-N 1 0 239.309 3.512 20 0 BHADRO CC[N@H+](CCSC1CCCCC1)C1CCC1 ZINC000500123930 528584636 /nfs/dbraw/zinc/58/46/36/528584636.db2.gz LYXIBSFFFIPFCL-UHFFFAOYSA-N 1 0 241.444 3.927 20 0 BHADRO CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000500125310 528053593 /nfs/dbraw/zinc/05/35/93/528053593.db2.gz POUSEZIEWPMKPA-IPYPFGDCSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000500125311 528056388 /nfs/dbraw/zinc/05/63/88/528056388.db2.gz POUSEZIEWPMKPA-KCQAQPDRSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000500125312 528053230 /nfs/dbraw/zinc/05/32/30/528053230.db2.gz POUSEZIEWPMKPA-VNHYZAJKSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000500125313 528055479 /nfs/dbraw/zinc/05/54/79/528055479.db2.gz POUSEZIEWPMKPA-YDHLFZDLSA-N 1 0 217.356 3.868 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000500132527 528889972 /nfs/dbraw/zinc/88/99/72/528889972.db2.gz ZEWCXEZWESCZOS-CYBMUJFWSA-N 1 0 247.382 3.760 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000500132530 528049545 /nfs/dbraw/zinc/04/95/45/528049545.db2.gz ZEWCXEZWESCZOS-ZDUSSCGKSA-N 1 0 247.382 3.760 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000500136443 528890255 /nfs/dbraw/zinc/89/02/55/528890255.db2.gz WWXSZWKYLDAGCC-CYBMUJFWSA-N 1 0 217.356 3.623 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000500136444 528050696 /nfs/dbraw/zinc/05/06/96/528050696.db2.gz WWXSZWKYLDAGCC-ZDUSSCGKSA-N 1 0 217.356 3.623 20 0 BHADRO CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500140515 528970437 /nfs/dbraw/zinc/97/04/37/528970437.db2.gz PTCPTHXFOPXZCL-UHFFFAOYSA-N 1 0 241.737 3.621 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000500140942 528051465 /nfs/dbraw/zinc/05/14/65/528051465.db2.gz RJFPJYXXEABVDT-KBPBESRZSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000500140943 528891313 /nfs/dbraw/zinc/89/13/13/528891313.db2.gz RJFPJYXXEABVDT-KGLIPLIRSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000500140945 528050201 /nfs/dbraw/zinc/05/02/01/528050201.db2.gz RJFPJYXXEABVDT-UONOGXRCSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000500140947 528891651 /nfs/dbraw/zinc/89/16/51/528891651.db2.gz RJFPJYXXEABVDT-ZIAGYGMSSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000500142993 529344398 /nfs/dbraw/zinc/34/43/98/529344398.db2.gz WVILITHRFVPOOM-LLVKDONJSA-N 1 0 225.763 3.613 20 0 BHADRO CC[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000500143004 529690602 /nfs/dbraw/zinc/69/06/02/529690602.db2.gz WVILITHRFVPOOM-NSHDSACASA-N 1 0 225.763 3.613 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000500149061 529344965 /nfs/dbraw/zinc/34/49/65/529344965.db2.gz AQKATJNQZJQXMP-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000500149062 529691217 /nfs/dbraw/zinc/69/12/17/529691217.db2.gz AQKATJNQZJQXMP-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000500152036 529344886 /nfs/dbraw/zinc/34/48/86/529344886.db2.gz GYHFALAORPKGDO-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000500152037 529691323 /nfs/dbraw/zinc/69/13/23/529691323.db2.gz GYHFALAORPKGDO-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CC[N@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000500153726 527824506 /nfs/dbraw/zinc/82/45/06/527824506.db2.gz KESDVOBYNYFDAB-JTQLQIEISA-N 1 0 245.288 3.761 20 0 BHADRO CC[N@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000500153741 527802318 /nfs/dbraw/zinc/80/23/18/527802318.db2.gz KESDVOBYNYFDAB-SNVBAGLBSA-N 1 0 245.288 3.761 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500183522 527987491 /nfs/dbraw/zinc/98/74/91/527987491.db2.gz FYHQGFBUYLYZEY-INIZCTEOSA-N 1 0 231.383 3.696 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500183523 527982038 /nfs/dbraw/zinc/98/20/38/527982038.db2.gz FYHQGFBUYLYZEY-MRXNPFEDSA-N 1 0 231.383 3.696 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000500184385 534133958 /nfs/dbraw/zinc/13/39/58/534133958.db2.gz OJBSXTQFQFOPKI-INIZCTEOSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000500184386 226325363 /nfs/dbraw/zinc/32/53/63/226325363.db2.gz OJBSXTQFQFOPKI-MRXNPFEDSA-N 1 0 231.383 3.658 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500199744 528472223 /nfs/dbraw/zinc/47/22/23/528472223.db2.gz ICFZWCLSYYLBRH-INIZCTEOSA-N 1 0 231.383 3.802 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000500199745 528473588 /nfs/dbraw/zinc/47/35/88/528473588.db2.gz ICFZWCLSYYLBRH-MRXNPFEDSA-N 1 0 231.383 3.802 20 0 BHADRO CCC[N@H+](CCc1cccc(F)c1)CC(C)C ZINC000500209299 528106432 /nfs/dbraw/zinc/10/64/32/528106432.db2.gz LMBGUVQURMCWNJ-UHFFFAOYSA-N 1 0 237.362 3.736 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000500236976 527726175 /nfs/dbraw/zinc/72/61/75/527726175.db2.gz PLIJSWOVRIUHKV-INIZCTEOSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000500236978 527726669 /nfs/dbraw/zinc/72/66/69/527726669.db2.gz PLIJSWOVRIUHKV-MRXNPFEDSA-N 1 0 247.382 3.576 20 0 BHADRO CC[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000500251907 527861791 /nfs/dbraw/zinc/86/17/91/527861791.db2.gz MGXBDZPYGSJVBD-CYBMUJFWSA-N 1 0 225.763 3.989 20 0 BHADRO CC[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000500251908 527863649 /nfs/dbraw/zinc/86/36/49/527863649.db2.gz MGXBDZPYGSJVBD-ZDUSSCGKSA-N 1 0 225.763 3.989 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000500350720 529568652 /nfs/dbraw/zinc/56/86/52/529568652.db2.gz ABUOBHLHYVFEDZ-DOMZBBRYSA-N 1 0 247.382 3.536 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000500350721 529568822 /nfs/dbraw/zinc/56/88/22/529568822.db2.gz ABUOBHLHYVFEDZ-IUODEOHRSA-N 1 0 247.382 3.536 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000500350722 529568690 /nfs/dbraw/zinc/56/86/90/529568690.db2.gz ABUOBHLHYVFEDZ-SWLSCSKDSA-N 1 0 247.382 3.536 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000500350723 529568979 /nfs/dbraw/zinc/56/89/79/529568979.db2.gz ABUOBHLHYVFEDZ-WFASDCNBSA-N 1 0 247.382 3.536 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000500366683 528015975 /nfs/dbraw/zinc/01/59/75/528015975.db2.gz ISTZGJIAYMSOOH-CABCVRRESA-N 1 0 249.398 3.583 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000500366684 528016154 /nfs/dbraw/zinc/01/61/54/528016154.db2.gz ISTZGJIAYMSOOH-GJZGRUSLSA-N 1 0 249.398 3.583 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000500366686 527998520 /nfs/dbraw/zinc/99/85/20/527998520.db2.gz ISTZGJIAYMSOOH-HUUCEWRRSA-N 1 0 249.398 3.583 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000500366687 527997993 /nfs/dbraw/zinc/99/79/93/527997993.db2.gz ISTZGJIAYMSOOH-LSDHHAIUSA-N 1 0 249.398 3.583 20 0 BHADRO CCSCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000500366832 323083806 /nfs/dbraw/zinc/08/38/06/323083806.db2.gz JGTPSVMFBXRQGH-OWBHPGMISA-N 1 0 249.423 3.823 20 0 BHADRO CCSCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000500366840 323083827 /nfs/dbraw/zinc/08/38/27/323083827.db2.gz JGTPSVMFBXRQGH-WYMLVPIESA-N 1 0 249.423 3.823 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000500370735 226325690 /nfs/dbraw/zinc/32/56/90/226325690.db2.gz JPEKTWQOPMGCNO-CABCVRRESA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000500370737 226325668 /nfs/dbraw/zinc/32/56/68/226325668.db2.gz JPEKTWQOPMGCNO-GJZGRUSLSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000500370740 226325618 /nfs/dbraw/zinc/32/56/18/226325618.db2.gz JPEKTWQOPMGCNO-HUUCEWRRSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000500370741 226325389 /nfs/dbraw/zinc/32/53/89/226325389.db2.gz JPEKTWQOPMGCNO-LSDHHAIUSA-N 1 0 249.398 3.768 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000500372057 528015982 /nfs/dbraw/zinc/01/59/82/528015982.db2.gz NMQLXCITHWPLJL-KBPBESRZSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000500372058 527999804 /nfs/dbraw/zinc/99/98/04/527999804.db2.gz NMQLXCITHWPLJL-UONOGXRCSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)COC(C)C)CCC1 ZINC000500383632 527695312 /nfs/dbraw/zinc/69/53/12/527695312.db2.gz LBCHPPJVWTXGQM-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)COC(C)C)CCC1 ZINC000500383633 527695153 /nfs/dbraw/zinc/69/51/53/527695153.db2.gz LBCHPPJVWTXGQM-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000500395297 528015971 /nfs/dbraw/zinc/01/59/71/528015971.db2.gz NMQLXCITHWPLJL-KGLIPLIRSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000500395298 527999253 /nfs/dbraw/zinc/99/92/53/527999253.db2.gz NMQLXCITHWPLJL-ZIAGYGMSSA-N 1 0 241.419 3.748 20 0 BHADRO CCC1(C[NH2+][C@@H](C)COC(C)C)CCCCC1 ZINC000500395977 527752328 /nfs/dbraw/zinc/75/23/28/527752328.db2.gz OBUKGNAWMKXWPI-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1(C[NH2+][C@H](C)COC(C)C)CCCCC1 ZINC000500395978 527753723 /nfs/dbraw/zinc/75/37/23/527753723.db2.gz OBUKGNAWMKXWPI-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1C=CCCC1 ZINC000500398961 527506462 /nfs/dbraw/zinc/50/64/62/527506462.db2.gz DOIJWJPRWZHVQJ-HECSCLNYSA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1C=CCCC1 ZINC000500398962 527505975 /nfs/dbraw/zinc/50/59/75/527505975.db2.gz DOIJWJPRWZHVQJ-OBEJXRGXSA-N 1 0 227.351 3.788 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000500408815 528016475 /nfs/dbraw/zinc/01/64/75/528016475.db2.gz YBQSXJSMTPPURC-AWEZNQCLSA-N 1 0 249.398 3.713 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000500408816 527999470 /nfs/dbraw/zinc/99/94/70/527999470.db2.gz YBQSXJSMTPPURC-CQSZACIVSA-N 1 0 249.398 3.713 20 0 BHADRO CC[C@H](CSC)[NH2+]C/C(C)=C/c1ccccc1 ZINC000500409550 529414916 /nfs/dbraw/zinc/41/49/16/529414916.db2.gz ZTLDWQOCQHAZEH-NRMKIYEFSA-N 1 0 249.423 3.821 20 0 BHADRO CC[C@@H](CSC)[NH2+]C/C(C)=C/c1ccccc1 ZINC000500409551 529531649 /nfs/dbraw/zinc/53/16/49/529531649.db2.gz ZTLDWQOCQHAZEH-VOMSXAGXSA-N 1 0 249.423 3.821 20 0 BHADRO CC[C@H](CSC)[NH2+]C/C(C)=C\c1ccccc1 ZINC000500409552 529414991 /nfs/dbraw/zinc/41/49/91/529414991.db2.gz ZTLDWQOCQHAZEH-VSKPTYQZSA-N 1 0 249.423 3.821 20 0 BHADRO CC[C@@H](CSC)[NH2+]C/C(C)=C\c1ccccc1 ZINC000500409553 529531724 /nfs/dbraw/zinc/53/17/24/529531724.db2.gz ZTLDWQOCQHAZEH-WVUXNXBLSA-N 1 0 249.423 3.821 20 0 BHADRO CC[C@@H](C)CN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000500413734 529314997 /nfs/dbraw/zinc/31/49/97/529314997.db2.gz ZCCJNCFDRFFKFE-LLVKDONJSA-N 1 0 246.329 3.856 20 0 BHADRO CC[C@H](C)CN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000500413750 529651687 /nfs/dbraw/zinc/65/16/87/529651687.db2.gz ZCCJNCFDRFFKFE-NSHDSACASA-N 1 0 246.329 3.856 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CCC=C(C)C ZINC000500418045 529567955 /nfs/dbraw/zinc/56/79/55/529567955.db2.gz XLNPGXKFEFDBHC-UHFFFAOYSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CCC1=CCCCCC1 ZINC000500420885 528015764 /nfs/dbraw/zinc/01/57/64/528015764.db2.gz LVOOIQSJQIKHDL-AWEZNQCLSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CCC1=CCCCCC1 ZINC000500420886 527997505 /nfs/dbraw/zinc/99/75/05/527997505.db2.gz LVOOIQSJQIKHDL-CQSZACIVSA-N 1 0 239.403 3.670 20 0 BHADRO CC[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000500426677 527840333 /nfs/dbraw/zinc/84/03/33/527840333.db2.gz IJIOYSXBVLDJKE-UHFFFAOYSA-N 1 0 225.335 3.805 20 0 BHADRO FC1(F)CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000500428123 226325622 /nfs/dbraw/zinc/32/56/22/226325622.db2.gz JPFALBCEVJVSQY-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC1(C)C ZINC000500429170 533837869 /nfs/dbraw/zinc/83/78/69/533837869.db2.gz MTPSAEJXYIHSFW-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC1(C)C ZINC000500429171 533837497 /nfs/dbraw/zinc/83/74/97/533837497.db2.gz MTPSAEJXYIHSFW-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC1(C)C ZINC000500429172 533366004 /nfs/dbraw/zinc/36/60/04/533366004.db2.gz MTPSAEJXYIHSFW-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC1(C)C ZINC000500429173 533366394 /nfs/dbraw/zinc/36/63/94/533366394.db2.gz MTPSAEJXYIHSFW-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000500429377 534180517 /nfs/dbraw/zinc/18/05/17/534180517.db2.gz VSJHGGKWHULICB-GWCFXTLKSA-N 1 0 244.313 3.974 20 0 BHADRO C[C@H]1CCC[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000500429378 226325759 /nfs/dbraw/zinc/32/57/59/226325759.db2.gz VSJHGGKWHULICB-GXFFZTMASA-N 1 0 244.313 3.974 20 0 BHADRO C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000500429379 533793704 /nfs/dbraw/zinc/79/37/04/533793704.db2.gz VSJHGGKWHULICB-MFKMUULPSA-N 1 0 244.313 3.974 20 0 BHADRO C[C@@H]1CCC[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000500429380 226325602 /nfs/dbraw/zinc/32/56/02/226325602.db2.gz VSJHGGKWHULICB-ZWNOBZJWSA-N 1 0 244.313 3.974 20 0 BHADRO FC1(F)CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000500431385 226325867 /nfs/dbraw/zinc/32/58/67/226325867.db2.gz UMVBLEXVYINYMQ-GFCCVEGCSA-N 1 0 243.341 3.758 20 0 BHADRO FC1(F)CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000500431386 226325938 /nfs/dbraw/zinc/32/59/38/226325938.db2.gz UMVBLEXVYINYMQ-LBPRGKRZSA-N 1 0 243.341 3.758 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000500432386 527998117 /nfs/dbraw/zinc/99/81/17/527998117.db2.gz YMMRELOTQSCUSH-CYBMUJFWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000500432387 528016552 /nfs/dbraw/zinc/01/65/52/528016552.db2.gz YMMRELOTQSCUSH-ZDUSSCGKSA-N 1 0 241.419 3.606 20 0 BHADRO CC1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000500438811 528200715 /nfs/dbraw/zinc/20/07/15/528200715.db2.gz HWMKLZRXIJKLIF-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](C)N(C)c1cc[nH+]c2cc(F)ccc21 ZINC000500439146 528888486 /nfs/dbraw/zinc/88/84/86/528888486.db2.gz GCUZHBKZELBYIF-LLVKDONJSA-N 1 0 246.329 3.999 20 0 BHADRO CCC[C@H](C)N(C)c1cc[nH+]c2cc(F)ccc21 ZINC000500439148 528049211 /nfs/dbraw/zinc/04/92/11/528049211.db2.gz GCUZHBKZELBYIF-NSHDSACASA-N 1 0 246.329 3.999 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500442105 226325838 /nfs/dbraw/zinc/32/58/38/226325838.db2.gz SAMHWZYIILJMHR-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500442106 226325893 /nfs/dbraw/zinc/32/58/93/226325893.db2.gz SAMHWZYIILJMHR-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500442107 226325971 /nfs/dbraw/zinc/32/59/71/226325971.db2.gz SAMHWZYIILJMHR-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500442108 226325850 /nfs/dbraw/zinc/32/58/50/226325850.db2.gz SAMHWZYIILJMHR-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000500443069 527998561 /nfs/dbraw/zinc/99/85/61/527998561.db2.gz XHANFORVOUQFGS-CYBMUJFWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000500443070 528016617 /nfs/dbraw/zinc/01/66/17/528016617.db2.gz XHANFORVOUQFGS-ZDUSSCGKSA-N 1 0 241.419 3.606 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000500446312 527534959 /nfs/dbraw/zinc/53/49/59/527534959.db2.gz DMMHWJJSXQVIEU-BALAJYPESA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@H]1C ZINC000500446313 527506511 /nfs/dbraw/zinc/50/65/11/527506511.db2.gz DMMHWJJSXQVIEU-HBOAGIKPSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000500446314 527507355 /nfs/dbraw/zinc/50/73/55/527507355.db2.gz DMMHWJJSXQVIEU-PRPKNLAESA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[C@H]1C ZINC000500446315 527533703 /nfs/dbraw/zinc/53/37/03/527533703.db2.gz DMMHWJJSXQVIEU-VDAYMNBPSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000500447930 533794454 /nfs/dbraw/zinc/79/44/54/533794454.db2.gz OCWOKJRKPOXJJZ-MIGQKNRLSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000500447931 533794436 /nfs/dbraw/zinc/79/44/36/533794436.db2.gz OCWOKJRKPOXJJZ-OJLVUWQFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000500448063 534180081 /nfs/dbraw/zinc/18/00/81/534180081.db2.gz UUEQBSMXLZTRIG-HZMBPMFUSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000500448064 226325849 /nfs/dbraw/zinc/32/58/49/226325849.db2.gz UUEQBSMXLZTRIG-IINYFYTJSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000500448065 533895547 /nfs/dbraw/zinc/89/55/47/533895547.db2.gz UUEQBSMXLZTRIG-QMTHXVAHSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000500448066 533794957 /nfs/dbraw/zinc/79/49/57/533794957.db2.gz UUEQBSMXLZTRIG-YGRLFVJLSA-N 1 0 246.329 3.585 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000500448972 528015096 /nfs/dbraw/zinc/01/50/96/528015096.db2.gz SIZWVVBHHWGJSB-NFOMZHRRSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000500448973 527998506 /nfs/dbraw/zinc/99/85/06/527998506.db2.gz SIZWVVBHHWGJSB-WLYUNCDWSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000500449037 534180144 /nfs/dbraw/zinc/18/01/44/534180144.db2.gz SZNMBNMJMRCDIE-HZMBPMFUSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000500449039 226325871 /nfs/dbraw/zinc/32/58/71/226325871.db2.gz SZNMBNMJMRCDIE-IINYFYTJSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000500449041 533894323 /nfs/dbraw/zinc/89/43/23/533894323.db2.gz SZNMBNMJMRCDIE-QMTHXVAHSA-N 1 0 246.329 3.585 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000500449043 533794684 /nfs/dbraw/zinc/79/46/84/533794684.db2.gz SZNMBNMJMRCDIE-YGRLFVJLSA-N 1 0 246.329 3.585 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000500455247 528380857 /nfs/dbraw/zinc/38/08/57/528380857.db2.gz HFHIBQRFRJDSCC-HNNXBMFYSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000500455248 528590167 /nfs/dbraw/zinc/59/01/67/528590167.db2.gz HFHIBQRFRJDSCC-OAHLLOKOSA-N 1 0 235.346 3.836 20 0 BHADRO Fc1ccc2c(NCC3CCCC3)cc[nH+]c2c1 ZINC000500455379 534505180 /nfs/dbraw/zinc/50/51/80/534505180.db2.gz GOURTLRYIOJAOK-UHFFFAOYSA-N 1 0 244.313 3.976 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000500456159 528381574 /nfs/dbraw/zinc/38/15/74/528381574.db2.gz JGIPTUCHYXABDC-HNNXBMFYSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000500456160 528590461 /nfs/dbraw/zinc/59/04/61/528590461.db2.gz JGIPTUCHYXABDC-OAHLLOKOSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000500456743 528381443 /nfs/dbraw/zinc/38/14/43/528381443.db2.gz LQVLDNUTLSCIQY-AWEZNQCLSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000500456744 528590490 /nfs/dbraw/zinc/59/04/90/528590490.db2.gz LQVLDNUTLSCIQY-CQSZACIVSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCCCCC2)no1 ZINC000500461424 226325857 /nfs/dbraw/zinc/32/58/57/226325857.db2.gz JOYPRAPKPDCGSC-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCCCCC2)no1 ZINC000500461425 226325812 /nfs/dbraw/zinc/32/58/12/226325812.db2.gz JOYPRAPKPDCGSC-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO CN(CC(C)(C)C)c1cc[nH+]c2cc(F)ccc21 ZINC000500461768 529844186 /nfs/dbraw/zinc/84/41/86/529844186.db2.gz YIFLLEVFVWUAOK-UHFFFAOYSA-N 1 0 246.329 3.856 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500462042 528380211 /nfs/dbraw/zinc/38/02/11/528380211.db2.gz AVXUBPSKRVTWDL-HNNXBMFYSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500462046 528590732 /nfs/dbraw/zinc/59/07/32/528590732.db2.gz AVXUBPSKRVTWDL-OAHLLOKOSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)(C)CNc1cc[nH+]c2cc(F)ccc12 ZINC000500463708 527689331 /nfs/dbraw/zinc/68/93/31/527689331.db2.gz FPRDJUXAGAHLRN-UHFFFAOYSA-N 1 0 232.302 3.832 20 0 BHADRO CCC(CC)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500470375 528761632 /nfs/dbraw/zinc/76/16/32/528761632.db2.gz NGHXLXNPXYAKEX-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO c1cc2c(cccc2CC[NH2+]C2CCCCC2)[nH]1 ZINC000500472942 226325826 /nfs/dbraw/zinc/32/58/26/226325826.db2.gz VMYBLIDWVBIBCL-UHFFFAOYSA-N 1 0 242.366 3.633 20 0 BHADRO CCCCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000500477984 528374539 /nfs/dbraw/zinc/37/45/39/528374539.db2.gz DGRKSSFYHXBOFR-UHFFFAOYSA-N 1 0 232.302 3.610 20 0 BHADRO CCCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000500489563 528216812 /nfs/dbraw/zinc/21/68/12/528216812.db2.gz LVBIUWPUESICOV-UHFFFAOYSA-N 1 0 232.302 3.976 20 0 BHADRO CCC(CC)Nc1cc[nH+]c2cc(F)ccc12 ZINC000500495070 528805747 /nfs/dbraw/zinc/80/57/47/528805747.db2.gz ALIFUENAIJWPDL-UHFFFAOYSA-N 1 0 232.302 3.974 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CC1CC1)c1cccc(C)c1 ZINC000500501109 529461901 /nfs/dbraw/zinc/46/19/01/529461901.db2.gz UFUVSWBTZBAOQJ-GDBMZVCRSA-N 1 0 229.367 3.620 20 0 BHADRO CC[C@H]1C[C@]1([NH2+]CC1CC1)c1cccc(C)c1 ZINC000500501110 529329508 /nfs/dbraw/zinc/32/95/08/529329508.db2.gz UFUVSWBTZBAOQJ-GOEBONIOSA-N 1 0 229.367 3.620 20 0 BHADRO CC[C@H]1C[C@@]1([NH2+]CC1CC1)c1cccc(C)c1 ZINC000500501111 529321709 /nfs/dbraw/zinc/32/17/09/529321709.db2.gz UFUVSWBTZBAOQJ-HOCLYGCPSA-N 1 0 229.367 3.620 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CC1CC1)c1cccc(C)c1 ZINC000500501112 529431377 /nfs/dbraw/zinc/43/13/77/529431377.db2.gz UFUVSWBTZBAOQJ-ZBFHGGJFSA-N 1 0 229.367 3.620 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000500501834 528267545 /nfs/dbraw/zinc/26/75/45/528267545.db2.gz KKTXPTLOWYVXSX-CYBMUJFWSA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000500501835 528475608 /nfs/dbraw/zinc/47/56/08/528475608.db2.gz KKTXPTLOWYVXSX-ZDUSSCGKSA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000500504816 527743833 /nfs/dbraw/zinc/74/38/33/527743833.db2.gz VLNOOFHIXUGIAL-UHFFFAOYSA-N 1 0 232.302 3.832 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000500533601 528877979 /nfs/dbraw/zinc/87/79/79/528877979.db2.gz HILIHTXZCJGHOY-IJLUTSLNSA-N 1 0 249.345 3.563 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000500533602 528034309 /nfs/dbraw/zinc/03/43/09/528034309.db2.gz HILIHTXZCJGHOY-QJPTWQEYSA-N 1 0 249.345 3.563 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500540104 528878003 /nfs/dbraw/zinc/87/80/03/528878003.db2.gz ZPJLUKBKWXHARB-CYBMUJFWSA-N 1 0 244.382 3.736 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500540105 528033678 /nfs/dbraw/zinc/03/36/78/528033678.db2.gz ZPJLUKBKWXHARB-ZDUSSCGKSA-N 1 0 244.382 3.736 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)C)c1ccccn1 ZINC000500618034 529006191 /nfs/dbraw/zinc/00/61/91/529006191.db2.gz ODMVWDDBBXJIOL-CYBMUJFWSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)C)c1ccccn1 ZINC000500618043 528217182 /nfs/dbraw/zinc/21/71/82/528217182.db2.gz ODMVWDDBBXJIOL-ZDUSSCGKSA-N 1 0 234.387 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000500630568 226326187 /nfs/dbraw/zinc/32/61/87/226326187.db2.gz DDAVRKAJHKNKRK-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000500630569 226326056 /nfs/dbraw/zinc/32/60/56/226326056.db2.gz DDAVRKAJHKNKRK-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000500630570 226326200 /nfs/dbraw/zinc/32/62/00/226326200.db2.gz DDAVRKAJHKNKRK-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000500630571 226326136 /nfs/dbraw/zinc/32/61/36/226326136.db2.gz DDAVRKAJHKNKRK-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H](C[N@H+](C)CCOCC)c1ccccc1 ZINC000500753812 528940164 /nfs/dbraw/zinc/94/01/64/528940164.db2.gz VQGIFZCUUBUYTF-INIZCTEOSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@H](C[N@H+](C)CCOCC)c1ccccc1 ZINC000500753813 528130504 /nfs/dbraw/zinc/13/05/04/528130504.db2.gz VQGIFZCUUBUYTF-MRXNPFEDSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC000500935529 529345219 /nfs/dbraw/zinc/34/52/19/529345219.db2.gz FEDKSHCCYWSICR-CYBMUJFWSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC000500935530 529691511 /nfs/dbraw/zinc/69/15/11/529691511.db2.gz FEDKSHCCYWSICR-ZDUSSCGKSA-N 1 0 205.345 3.534 20 0 BHADRO CCC[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000500937088 528889422 /nfs/dbraw/zinc/88/94/22/528889422.db2.gz LIBCDPJZJVEFGT-LLVKDONJSA-N 1 0 211.374 3.759 20 0 BHADRO CCC[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000500937089 528048848 /nfs/dbraw/zinc/04/88/48/528048848.db2.gz LIBCDPJZJVEFGT-NSHDSACASA-N 1 0 211.374 3.759 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000500949674 529344578 /nfs/dbraw/zinc/34/45/78/529344578.db2.gz CGLZANHTAJMXSQ-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000500949677 529691249 /nfs/dbraw/zinc/69/12/49/529691249.db2.gz CGLZANHTAJMXSQ-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000500953175 529691526 /nfs/dbraw/zinc/69/15/26/529691526.db2.gz IMOHMQGGRMEJPZ-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000500953176 529345057 /nfs/dbraw/zinc/34/50/57/529345057.db2.gz IMOHMQGGRMEJPZ-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1sccc1C ZINC000500959109 528888022 /nfs/dbraw/zinc/88/80/22/528888022.db2.gz UMCNKRUCYIDZQO-LLVKDONJSA-N 1 0 211.374 3.677 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1sccc1C ZINC000500959110 528047251 /nfs/dbraw/zinc/04/72/51/528047251.db2.gz UMCNKRUCYIDZQO-NSHDSACASA-N 1 0 211.374 3.677 20 0 BHADRO CC[C@@H](C)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000500968019 529350415 /nfs/dbraw/zinc/35/04/15/529350415.db2.gz UPHFRSLLPLYQAM-GFCCVEGCSA-N 1 0 233.330 3.713 20 0 BHADRO CC[C@H](C)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000500968020 529696004 /nfs/dbraw/zinc/69/60/04/529696004.db2.gz UPHFRSLLPLYQAM-LBPRGKRZSA-N 1 0 233.330 3.713 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000500972766 529375878 /nfs/dbraw/zinc/37/58/78/529375878.db2.gz ANYLFOHKXDPTAR-DOMZBBRYSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000500972767 529375469 /nfs/dbraw/zinc/37/54/69/529375469.db2.gz ANYLFOHKXDPTAR-IUODEOHRSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000500972768 529181810 /nfs/dbraw/zinc/18/18/10/529181810.db2.gz ANYLFOHKXDPTAR-SWLSCSKDSA-N 1 0 235.371 3.780 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000500972769 529183059 /nfs/dbraw/zinc/18/30/59/529183059.db2.gz ANYLFOHKXDPTAR-WFASDCNBSA-N 1 0 235.371 3.780 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H]1C=CCCC1 ZINC000500979432 528744844 /nfs/dbraw/zinc/74/48/44/528744844.db2.gz XSLPHXWCNXCULE-AWEZNQCLSA-N 1 0 209.377 3.853 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H]1C=CCCC1 ZINC000500979437 528744613 /nfs/dbraw/zinc/74/46/13/528744613.db2.gz XSLPHXWCNXCULE-CQSZACIVSA-N 1 0 209.377 3.853 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000500981011 529180318 /nfs/dbraw/zinc/18/03/18/529180318.db2.gz UVVXSVBLEUEUEW-JTQLQIEISA-N 1 0 239.309 3.732 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000500981012 529374167 /nfs/dbraw/zinc/37/41/67/529374167.db2.gz UVVXSVBLEUEUEW-SNVBAGLBSA-N 1 0 239.309 3.732 20 0 BHADRO CCOc1ccccc1C[N@H+](C)CCC(C)(C)C ZINC000500983047 528723411 /nfs/dbraw/zinc/72/34/11/528723411.db2.gz PNLZLLICGREUFB-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CC[C@@H](C)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000500984755 529357088 /nfs/dbraw/zinc/35/70/88/529357088.db2.gz NRJXRWPBJGLVON-GFCCVEGCSA-N 1 0 217.356 3.578 20 0 BHADRO CC[C@H](C)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000500984756 529702162 /nfs/dbraw/zinc/70/21/62/529702162.db2.gz NRJXRWPBJGLVON-LBPRGKRZSA-N 1 0 217.356 3.578 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@H]1C=CCCC1 ZINC000500985450 226326631 /nfs/dbraw/zinc/32/66/31/226326631.db2.gz XYLRPBIWYOUQOW-HNNXBMFYSA-N 1 0 245.366 3.626 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC000500985451 528724058 /nfs/dbraw/zinc/72/40/58/528724058.db2.gz XYLRPBIWYOUQOW-OAHLLOKOSA-N 1 0 245.366 3.626 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000500989624 528889595 /nfs/dbraw/zinc/88/95/95/528889595.db2.gz GSGJGDUBUVPOEH-GDBMZVCRSA-N 1 0 246.398 3.752 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000500989625 528050615 /nfs/dbraw/zinc/05/06/15/528050615.db2.gz GSGJGDUBUVPOEH-GOEBONIOSA-N 1 0 246.398 3.752 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000500989626 528050679 /nfs/dbraw/zinc/05/06/79/528050679.db2.gz GSGJGDUBUVPOEH-HOCLYGCPSA-N 1 0 246.398 3.752 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000500989627 528890212 /nfs/dbraw/zinc/89/02/12/528890212.db2.gz GSGJGDUBUVPOEH-ZBFHGGJFSA-N 1 0 246.398 3.752 20 0 BHADRO CC[C@@H](C)[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000501007671 529350396 /nfs/dbraw/zinc/35/03/96/529350396.db2.gz ORLYRIBCIPKVEI-CYBMUJFWSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@H](C)[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000501007672 529695902 /nfs/dbraw/zinc/69/59/02/529695902.db2.gz ORLYRIBCIPKVEI-ZDUSSCGKSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000501009341 529690300 /nfs/dbraw/zinc/69/03/00/529690300.db2.gz YURQPSSGRPIGHC-KBPBESRZSA-N 1 0 249.398 3.604 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000501009342 529690825 /nfs/dbraw/zinc/69/08/25/529690825.db2.gz YURQPSSGRPIGHC-KGLIPLIRSA-N 1 0 249.398 3.604 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000501009343 529344356 /nfs/dbraw/zinc/34/43/56/529344356.db2.gz YURQPSSGRPIGHC-UONOGXRCSA-N 1 0 249.398 3.604 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000501009344 529343570 /nfs/dbraw/zinc/34/35/70/529343570.db2.gz YURQPSSGRPIGHC-ZIAGYGMSSA-N 1 0 249.398 3.604 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000501009773 529702107 /nfs/dbraw/zinc/70/21/07/529702107.db2.gz FNCFTIAXOBCKDT-DZGCQCFKSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000501009774 529356575 /nfs/dbraw/zinc/35/65/75/529356575.db2.gz FNCFTIAXOBCKDT-HIFRSBDPSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000501009775 529357003 /nfs/dbraw/zinc/35/70/03/529357003.db2.gz FNCFTIAXOBCKDT-UKRRQHHQSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000501009776 529701923 /nfs/dbraw/zinc/70/19/23/529701923.db2.gz FNCFTIAXOBCKDT-ZFWWWQNUSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@H](C)[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000501010391 529183226 /nfs/dbraw/zinc/18/32/26/529183226.db2.gz KVHTUVWPPLRABF-DZGCQCFKSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000501010393 529375345 /nfs/dbraw/zinc/37/53/45/529375345.db2.gz KVHTUVWPPLRABF-HIFRSBDPSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000501010395 529376015 /nfs/dbraw/zinc/37/60/15/529376015.db2.gz KVHTUVWPPLRABF-UKRRQHHQSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000501010396 529181653 /nfs/dbraw/zinc/18/16/53/529181653.db2.gz KVHTUVWPPLRABF-ZFWWWQNUSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000501013608 529345027 /nfs/dbraw/zinc/34/50/27/529345027.db2.gz FXZKFZPEMQEFCV-CYBMUJFWSA-N 1 0 235.371 3.704 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000501013609 529691418 /nfs/dbraw/zinc/69/14/18/529691418.db2.gz FXZKFZPEMQEFCV-ZDUSSCGKSA-N 1 0 235.371 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000501014635 529183511 /nfs/dbraw/zinc/18/35/11/529183511.db2.gz MNZJPKBIAQJHOW-CQDKDKBSSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000501014636 529183733 /nfs/dbraw/zinc/18/37/33/529183733.db2.gz MNZJPKBIAQJHOW-GLQYFDAESA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000501014637 529182597 /nfs/dbraw/zinc/18/25/97/529182597.db2.gz MNZJPKBIAQJHOW-NILFDRSVSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000501014638 529182538 /nfs/dbraw/zinc/18/25/38/529182538.db2.gz MNZJPKBIAQJHOW-TUKIKUTGSA-N 1 0 235.346 3.850 20 0 BHADRO CC1=CC[N@H+](CCSC2CCCCC2)CC1 ZINC000501015763 528121510 /nfs/dbraw/zinc/12/15/10/528121510.db2.gz QVYMQIQMNFCUJO-UHFFFAOYSA-N 1 0 239.428 3.704 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCOCC(C)C)c1C ZINC000501015897 226327053 /nfs/dbraw/zinc/32/70/53/226327053.db2.gz SCOVWBYUKWJOFF-HNNXBMFYSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCOCC(C)C)c1C ZINC000501015900 226326944 /nfs/dbraw/zinc/32/69/44/226326944.db2.gz SCOVWBYUKWJOFF-OAHLLOKOSA-N 1 0 249.398 3.627 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000501016331 528067182 /nfs/dbraw/zinc/06/71/82/528067182.db2.gz UQLNXHSBRXWAQS-BCUIYNNISA-N 1 0 247.382 3.718 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000501016333 528067196 /nfs/dbraw/zinc/06/71/96/528067196.db2.gz UQLNXHSBRXWAQS-JFILPPLUSA-N 1 0 247.382 3.718 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000501016334 528066564 /nfs/dbraw/zinc/06/65/64/528066564.db2.gz UQLNXHSBRXWAQS-VLXAULBPSA-N 1 0 247.382 3.718 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000501016336 528067216 /nfs/dbraw/zinc/06/72/16/528067216.db2.gz UQLNXHSBRXWAQS-VPWBDBDCSA-N 1 0 247.382 3.718 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000501020836 529181826 /nfs/dbraw/zinc/18/18/26/529181826.db2.gz FYTHDVLUQSNDGE-BBRMVZONSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000501020845 529375444 /nfs/dbraw/zinc/37/54/44/529375444.db2.gz FYTHDVLUQSNDGE-CJNGLKHVSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000501020846 529376044 /nfs/dbraw/zinc/37/60/44/529376044.db2.gz FYTHDVLUQSNDGE-CZUORRHYSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H](C)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000501020848 529182923 /nfs/dbraw/zinc/18/29/23/529182923.db2.gz FYTHDVLUQSNDGE-XJKSGUPXSA-N 1 0 231.383 3.704 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501028294 528185701 /nfs/dbraw/zinc/18/57/01/528185701.db2.gz MZKLIYGXMGWTKI-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501028295 528186937 /nfs/dbraw/zinc/18/69/37/528186937.db2.gz MZKLIYGXMGWTKI-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501028296 528185828 /nfs/dbraw/zinc/18/58/28/528185828.db2.gz MZKLIYGXMGWTKI-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CCCCC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501028297 528186576 /nfs/dbraw/zinc/18/65/76/528186576.db2.gz MZKLIYGXMGWTKI-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCOCC(C)C ZINC000501028895 226326795 /nfs/dbraw/zinc/32/67/95/226326795.db2.gz LTWJPSNSJNPPSB-HNNXBMFYSA-N 1 0 249.398 3.627 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCOCC(C)C ZINC000501028896 226326936 /nfs/dbraw/zinc/32/69/36/226326936.db2.gz LTWJPSNSJNPPSB-OAHLLOKOSA-N 1 0 249.398 3.627 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000501029162 529344916 /nfs/dbraw/zinc/34/49/16/529344916.db2.gz MPLIQSOOJOMZIN-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000501029163 529691004 /nfs/dbraw/zinc/69/10/04/529691004.db2.gz MPLIQSOOJOMZIN-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCSC1CCCCC1 ZINC000501031034 529344104 /nfs/dbraw/zinc/34/41/04/529344104.db2.gz JBNHYBPGHOLXNF-GFCCVEGCSA-N 1 0 229.433 3.783 20 0 BHADRO CC[C@H](C)[N@H+](C)CCSC1CCCCC1 ZINC000501031035 529690648 /nfs/dbraw/zinc/69/06/48/529690648.db2.gz JBNHYBPGHOLXNF-LBPRGKRZSA-N 1 0 229.433 3.783 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000501031754 528900190 /nfs/dbraw/zinc/90/01/90/528900190.db2.gz ZIQRQAFVVZEDFT-CHWSQXEVSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000501031756 528900911 /nfs/dbraw/zinc/90/09/11/528900911.db2.gz ZIQRQAFVVZEDFT-OLZOCXBDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000501031758 528067159 /nfs/dbraw/zinc/06/71/59/528067159.db2.gz ZIQRQAFVVZEDFT-QWHCGFSZSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000501031760 528066545 /nfs/dbraw/zinc/06/65/45/528066545.db2.gz ZIQRQAFVVZEDFT-STQMWFEESA-N 1 0 235.371 3.925 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000501033470 529357092 /nfs/dbraw/zinc/35/70/92/529357092.db2.gz SKUKESULWJVVIT-GHMZBOCLSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000501033471 529356994 /nfs/dbraw/zinc/35/69/94/529356994.db2.gz SKUKESULWJVVIT-MNOVXSKESA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000501033472 529701893 /nfs/dbraw/zinc/70/18/93/529701893.db2.gz SKUKESULWJVVIT-QWRGUYRKSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000501033473 529701911 /nfs/dbraw/zinc/70/19/11/529701911.db2.gz SKUKESULWJVVIT-WDEREUQCSA-N 1 0 239.309 3.553 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000501035292 529376056 /nfs/dbraw/zinc/37/60/56/529376056.db2.gz HIBVLSYPUSHVBY-ABAIWWIYSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000501035293 529375447 /nfs/dbraw/zinc/37/54/47/529375447.db2.gz HIBVLSYPUSHVBY-IAQYHMDHSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000501035294 529183109 /nfs/dbraw/zinc/18/31/09/529183109.db2.gz HIBVLSYPUSHVBY-NHYWBVRUSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000501035295 529181571 /nfs/dbraw/zinc/18/15/71/529181571.db2.gz HIBVLSYPUSHVBY-XHDPSFHLSA-N 1 0 235.346 3.973 20 0 BHADRO CCC[N@H+](CCc1cccs1)[C@H](C)CC ZINC000501036530 528116420 /nfs/dbraw/zinc/11/64/20/528116420.db2.gz NZPJUSAJHFFLBX-GFCCVEGCSA-N 1 0 225.401 3.801 20 0 BHADRO CCC[N@H+](CCc1cccs1)[C@@H](C)CC ZINC000501036531 528117147 /nfs/dbraw/zinc/11/71/47/528117147.db2.gz NZPJUSAJHFFLBX-LBPRGKRZSA-N 1 0 225.401 3.801 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000501037785 529375492 /nfs/dbraw/zinc/37/54/92/529375492.db2.gz UPQMNPLRERKLDE-DOMZBBRYSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000501037789 529375967 /nfs/dbraw/zinc/37/59/67/529375967.db2.gz UPQMNPLRERKLDE-IUODEOHRSA-N 1 0 237.362 3.781 20 0 BHADRO CC[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000501037790 529182958 /nfs/dbraw/zinc/18/29/58/529182958.db2.gz UPQMNPLRERKLDE-SWLSCSKDSA-N 1 0 237.362 3.781 20 0 BHADRO 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BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000501079921 528887282 /nfs/dbraw/zinc/88/72/82/528887282.db2.gz UZSOFCRJMIPAQR-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000501079922 528046897 /nfs/dbraw/zinc/04/68/97/528046897.db2.gz UZSOFCRJMIPAQR-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCC[C@H]1CC(C)C ZINC000501086481 527748309 /nfs/dbraw/zinc/74/83/09/527748309.db2.gz KEDXJJIKBDHGFS-HNNXBMFYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000501086482 527748579 /nfs/dbraw/zinc/74/85/79/527748579.db2.gz KEDXJJIKBDHGFS-OAHLLOKOSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)[NH+]1CCC(COc2ccccc2)CC1 ZINC000501090037 529695945 /nfs/dbraw/zinc/69/59/45/529695945.db2.gz MBTVPOMMHNTFKL-AWEZNQCLSA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(COc2ccccc2)CC1 ZINC000501090038 529350358 /nfs/dbraw/zinc/35/03/58/529350358.db2.gz MBTVPOMMHNTFKL-CQSZACIVSA-N 1 0 247.382 3.576 20 0 BHADRO 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CC[N@H+](CCSC1CCCCC1)C1CC1 ZINC000501105662 528583213 /nfs/dbraw/zinc/58/32/13/528583213.db2.gz KRKTURFDBJYTHS-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CC(C)COCC[N@H+](Cc1ccccc1)C(C)C ZINC000501108569 528095150 /nfs/dbraw/zinc/09/51/50/528095150.db2.gz DYVCXAPVLHNMQT-UHFFFAOYSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)[N@H+](CCSC1CCCCC1)C1CC1 ZINC000501109653 528912282 /nfs/dbraw/zinc/91/22/82/528912282.db2.gz RXZIETBFKWJMSA-UHFFFAOYSA-N 1 0 241.444 3.925 20 0 BHADRO COc1cccc(C[N@@H+]2CCC[C@H]2CC(C)C)c1 ZINC000501111587 533479294 /nfs/dbraw/zinc/47/92/94/533479294.db2.gz UGBBCFIOEQSIDC-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2CCC[C@@H]2CC(C)C)c1 ZINC000501111589 533476461 /nfs/dbraw/zinc/47/64/61/533476461.db2.gz UGBBCFIOEQSIDC-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000501113928 529345084 /nfs/dbraw/zinc/34/50/84/529345084.db2.gz UEDGLIJBGSTANR-CYBMUJFWSA-N 1 0 235.371 3.542 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000501113929 529690988 /nfs/dbraw/zinc/69/09/88/529690988.db2.gz UEDGLIJBGSTANR-ZDUSSCGKSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000501115707 528046704 /nfs/dbraw/zinc/04/67/04/528046704.db2.gz ZRLBJBKHEVWNLD-JTQLQIEISA-N 1 0 211.374 3.677 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000501115708 528887024 /nfs/dbraw/zinc/88/70/24/528887024.db2.gz ZRLBJBKHEVWNLD-SNVBAGLBSA-N 1 0 211.374 3.677 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000501119946 528888707 /nfs/dbraw/zinc/88/87/07/528888707.db2.gz XIJNBIKBMZACAZ-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000501119948 528047080 /nfs/dbraw/zinc/04/70/80/528047080.db2.gz XIJNBIKBMZACAZ-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000501129551 528046365 /nfs/dbraw/zinc/04/63/65/528046365.db2.gz WJSWKFJYJJTOFY-AWEZNQCLSA-N 1 0 235.371 3.576 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000501129553 528887012 /nfs/dbraw/zinc/88/70/12/528887012.db2.gz WJSWKFJYJJTOFY-CQSZACIVSA-N 1 0 235.371 3.576 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000501133301 528047006 /nfs/dbraw/zinc/04/70/06/528047006.db2.gz JVXRABSMWLGKQV-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000501133307 528888469 /nfs/dbraw/zinc/88/84/69/528888469.db2.gz JVXRABSMWLGKQV-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000501133661 528050997 /nfs/dbraw/zinc/05/09/97/528050997.db2.gz LCQSIDAYVONVKJ-GXTWGEPZSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000501133663 528052325 /nfs/dbraw/zinc/05/23/25/528052325.db2.gz LCQSIDAYVONVKJ-JSGCOSHPSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000501133664 528891417 /nfs/dbraw/zinc/89/14/17/528891417.db2.gz LCQSIDAYVONVKJ-OCCSQVGLSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000501133666 528891836 /nfs/dbraw/zinc/89/18/36/528891836.db2.gz LCQSIDAYVONVKJ-TZMCWYRMSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000501135048 528047222 /nfs/dbraw/zinc/04/72/22/528047222.db2.gz OAGDCLQYANQODW-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000501135049 528888726 /nfs/dbraw/zinc/88/87/26/528888726.db2.gz OAGDCLQYANQODW-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000501135120 528888438 /nfs/dbraw/zinc/88/84/38/528888438.db2.gz OUICWYGIRYUPEW-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000501135122 528046977 /nfs/dbraw/zinc/04/69/77/528046977.db2.gz OUICWYGIRYUPEW-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000501136590 528051158 /nfs/dbraw/zinc/05/11/58/528051158.db2.gz TVZYVIOKSGKKKQ-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000501136591 528891233 /nfs/dbraw/zinc/89/12/33/528891233.db2.gz TVZYVIOKSGKKKQ-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000501136593 528891800 /nfs/dbraw/zinc/89/18/00/528891800.db2.gz TVZYVIOKSGKKKQ-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000501136595 528051614 /nfs/dbraw/zinc/05/16/14/528051614.db2.gz TVZYVIOKSGKKKQ-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000501142132 528888510 /nfs/dbraw/zinc/88/85/10/528888510.db2.gz MWHDFAIDZXDYOR-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000501142133 528048105 /nfs/dbraw/zinc/04/81/05/528048105.db2.gz MWHDFAIDZXDYOR-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000501144208 528050316 /nfs/dbraw/zinc/05/03/16/528050316.db2.gz UMDQOCKNUYAODJ-DZGCQCFKSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000501144209 528891932 /nfs/dbraw/zinc/89/19/32/528891932.db2.gz UMDQOCKNUYAODJ-HIFRSBDPSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000501144211 528891511 /nfs/dbraw/zinc/89/15/11/528891511.db2.gz UMDQOCKNUYAODJ-UKRRQHHQSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000501144213 528051792 /nfs/dbraw/zinc/05/17/92/528051792.db2.gz UMDQOCKNUYAODJ-ZFWWWQNUSA-N 1 0 247.382 3.673 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CCOCC(C)C)cc1 ZINC000501153432 226327153 /nfs/dbraw/zinc/32/71/53/226327153.db2.gz IEHFPVUFXAEEAB-HNNXBMFYSA-N 1 0 249.398 3.660 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CCOCC(C)C)cc1 ZINC000501153434 226327114 /nfs/dbraw/zinc/32/71/14/226327114.db2.gz IEHFPVUFXAEEAB-OAHLLOKOSA-N 1 0 249.398 3.660 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000501154608 529350237 /nfs/dbraw/zinc/35/02/37/529350237.db2.gz PIZSKVRWOBDSHE-CYBMUJFWSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000501154609 529696066 /nfs/dbraw/zinc/69/60/66/529696066.db2.gz PIZSKVRWOBDSHE-ZDUSSCGKSA-N 1 0 247.382 3.673 20 0 BHADRO CC[N@H+](CCSC1CCCCC1)C(C)C ZINC000501154878 528584057 /nfs/dbraw/zinc/58/40/57/528584057.db2.gz QWBWQPYWWOFRDJ-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000501164868 528888884 /nfs/dbraw/zinc/88/88/84/528888884.db2.gz UKLHAPKAAPACSG-CYBMUJFWSA-N 1 0 235.371 3.624 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000501164869 528047694 /nfs/dbraw/zinc/04/76/94/528047694.db2.gz UKLHAPKAAPACSG-ZDUSSCGKSA-N 1 0 235.371 3.624 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000501165256 528047649 /nfs/dbraw/zinc/04/76/49/528047649.db2.gz VKKWZYIGICNPMF-KBPBESRZSA-N 1 0 219.372 3.911 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000501165257 385212127 /nfs/dbraw/zinc/21/21/27/385212127.db2.gz VKKWZYIGICNPMF-KGLIPLIRSA-N 1 0 219.372 3.911 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000501165258 385212904 /nfs/dbraw/zinc/21/29/04/385212904.db2.gz VKKWZYIGICNPMF-UONOGXRCSA-N 1 0 219.372 3.911 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000501165259 385212563 /nfs/dbraw/zinc/21/25/63/385212563.db2.gz VKKWZYIGICNPMF-ZIAGYGMSSA-N 1 0 219.372 3.911 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501375508 528214457 /nfs/dbraw/zinc/21/44/57/528214457.db2.gz FZTHPTAXDLGWND-GDBMZVCRSA-N 1 0 246.398 3.888 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000501375509 528214449 /nfs/dbraw/zinc/21/44/49/528214449.db2.gz FZTHPTAXDLGWND-GOEBONIOSA-N 1 0 246.398 3.888 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000501375510 528217073 /nfs/dbraw/zinc/21/70/73/528217073.db2.gz FZTHPTAXDLGWND-HOCLYGCPSA-N 1 0 246.398 3.888 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501375511 528216755 /nfs/dbraw/zinc/21/67/55/528216755.db2.gz FZTHPTAXDLGWND-ZBFHGGJFSA-N 1 0 246.398 3.888 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000501376275 528016611 /nfs/dbraw/zinc/01/66/11/528016611.db2.gz FMMCNJJYHAWIGL-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000501376276 527998497 /nfs/dbraw/zinc/99/84/97/527998497.db2.gz FMMCNJJYHAWIGL-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(-c2ccc(C[NH2+]C3CCC3)o2)cc1 ZINC000501377586 226327619 /nfs/dbraw/zinc/32/76/19/226327619.db2.gz QUARTPADXXVWOK-UHFFFAOYSA-N 1 0 241.334 3.897 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000501378907 528015958 /nfs/dbraw/zinc/01/59/58/528015958.db2.gz YNGRCQHPGRMXFR-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000501378908 527999049 /nfs/dbraw/zinc/99/90/49/527999049.db2.gz YNGRCQHPGRMXFR-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000501378909 527999089 /nfs/dbraw/zinc/99/90/89/527999089.db2.gz YNGRCQHPGRMXFR-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000501378910 528016385 /nfs/dbraw/zinc/01/63/85/528016385.db2.gz YNGRCQHPGRMXFR-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000501381903 529495622 /nfs/dbraw/zinc/49/56/22/529495622.db2.gz MFEPCUHRWJHCMK-CABCVRRESA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000501381905 529494813 /nfs/dbraw/zinc/49/48/13/529494813.db2.gz MFEPCUHRWJHCMK-GJZGRUSLSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000501381906 529370239 /nfs/dbraw/zinc/37/02/39/529370239.db2.gz MFEPCUHRWJHCMK-HUUCEWRRSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000501381908 529368419 /nfs/dbraw/zinc/36/84/19/529368419.db2.gz MFEPCUHRWJHCMK-LSDHHAIUSA-N 1 0 249.398 3.583 20 0 BHADRO CC[NH+](CC)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000501384144 528186377 /nfs/dbraw/zinc/18/63/77/528186377.db2.gz BWORADUVQJBQLH-UHFFFAOYSA-N 1 0 247.382 3.656 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000501387771 528368844 /nfs/dbraw/zinc/36/88/44/528368844.db2.gz NHDFJNCHQRPRDV-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000501387772 528368755 /nfs/dbraw/zinc/36/87/55/528368755.db2.gz NHDFJNCHQRPRDV-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C(C1CC1)C1CC1 ZINC000501388653 527506840 /nfs/dbraw/zinc/50/68/40/527506840.db2.gz QQUWBRYLIAXGLS-QBFSEMIESA-N 1 0 241.378 3.868 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501389044 529257264 /nfs/dbraw/zinc/25/72/64/529257264.db2.gz AEUKNZLHFZZDLA-KBPBESRZSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501389046 529182611 /nfs/dbraw/zinc/18/26/11/529182611.db2.gz AEUKNZLHFZZDLA-KGLIPLIRSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501389048 529257155 /nfs/dbraw/zinc/25/71/55/529257155.db2.gz AEUKNZLHFZZDLA-UONOGXRCSA-N 1 0 221.319 3.572 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501389050 529182182 /nfs/dbraw/zinc/18/21/82/529182182.db2.gz AEUKNZLHFZZDLA-ZIAGYGMSSA-N 1 0 221.319 3.572 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000501393154 528016499 /nfs/dbraw/zinc/01/64/99/528016499.db2.gz YBLWYSRNLZYRAK-AWEZNQCLSA-N 1 0 249.398 3.713 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000501393155 527999430 /nfs/dbraw/zinc/99/94/30/527999430.db2.gz YBLWYSRNLZYRAK-CQSZACIVSA-N 1 0 249.398 3.713 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000501393373 527999176 /nfs/dbraw/zinc/99/91/76/527999176.db2.gz ZBMSZDFMDSYUQC-ILXRZTDVSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000501393375 527998923 /nfs/dbraw/zinc/99/89/23/527998923.db2.gz ZBMSZDFMDSYUQC-KFWWJZLASA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000501393377 527999205 /nfs/dbraw/zinc/99/92/05/527999205.db2.gz ZBMSZDFMDSYUQC-QLFBSQMISA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000501393386 527999242 /nfs/dbraw/zinc/99/92/42/527999242.db2.gz ZBMSZDFMDSYUQC-RBSFLKMASA-N 1 0 241.419 3.604 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]C1CCCCC1 ZINC000501405597 529567702 /nfs/dbraw/zinc/56/77/02/529567702.db2.gz KKEJUPDLKBDUGA-UHFFFAOYSA-N 1 0 247.382 3.680 20 0 BHADRO C[C@]1(F)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000501409139 385251653 /nfs/dbraw/zinc/25/16/53/385251653.db2.gz JCJABMMSWVEXDN-INIZCTEOSA-N 1 0 243.325 3.774 20 0 BHADRO C[C@@]1(F)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000501409140 385251536 /nfs/dbraw/zinc/25/15/36/385251536.db2.gz JCJABMMSWVEXDN-MRXNPFEDSA-N 1 0 243.325 3.774 20 0 BHADRO C[C@@H](c1ccccc1Cl)N1CC[C@](C)(F)C1 ZINC000501423581 226327691 /nfs/dbraw/zinc/32/76/91/226327691.db2.gz GYTPLIUUKKAKOC-GWCFXTLKSA-N 1 0 241.737 3.835 20 0 BHADRO C[C@@H](c1ccccc1Cl)N1CC[C@@](C)(F)C1 ZINC000501423582 226327888 /nfs/dbraw/zinc/32/78/88/226327888.db2.gz GYTPLIUUKKAKOC-GXFFZTMASA-N 1 0 241.737 3.835 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CC1CCCC1 ZINC000501423777 529567992 /nfs/dbraw/zinc/56/79/92/529567992.db2.gz QQUVITQILUCTRJ-UHFFFAOYSA-N 1 0 247.382 3.537 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501424853 529255289 /nfs/dbraw/zinc/25/52/89/529255289.db2.gz QGXHAVGYTHVTQG-KBPBESRZSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000501424855 529179953 /nfs/dbraw/zinc/17/99/53/529179953.db2.gz QGXHAVGYTHVTQG-KGLIPLIRSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501424856 529254884 /nfs/dbraw/zinc/25/48/84/529254884.db2.gz QGXHAVGYTHVTQG-UONOGXRCSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000501424857 529179739 /nfs/dbraw/zinc/17/97/39/529179739.db2.gz QGXHAVGYTHVTQG-ZIAGYGMSSA-N 1 0 239.309 3.711 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000501425981 527997424 /nfs/dbraw/zinc/99/74/24/527997424.db2.gz SMWHVEXYAKLHSD-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000501425982 527997658 /nfs/dbraw/zinc/99/76/58/527997658.db2.gz SMWHVEXYAKLHSD-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000501425983 527997767 /nfs/dbraw/zinc/99/77/67/527997767.db2.gz SMWHVEXYAKLHSD-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000501425984 527998461 /nfs/dbraw/zinc/99/84/61/527998461.db2.gz SMWHVEXYAKLHSD-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CCc1cccc(OCC[N@H+](C)C2CCCC2)c1 ZINC000501427643 529543415 /nfs/dbraw/zinc/54/34/15/529543415.db2.gz SQYFIIJHTUMTMB-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000501428148 528015822 /nfs/dbraw/zinc/01/58/22/528015822.db2.gz YGWPXCJYSBIVSB-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000501428150 527998077 /nfs/dbraw/zinc/99/80/77/527998077.db2.gz YGWPXCJYSBIVSB-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000501428151 528015784 /nfs/dbraw/zinc/01/57/84/528015784.db2.gz YGWPXCJYSBIVSB-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000501428153 527997542 /nfs/dbraw/zinc/99/75/42/527997542.db2.gz YGWPXCJYSBIVSB-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)COC(C)C)c1C ZINC000501431599 226327939 /nfs/dbraw/zinc/32/79/39/226327939.db2.gz BRODRSQREFDWIH-DZGCQCFKSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)COC(C)C)c1C ZINC000501431600 226327883 /nfs/dbraw/zinc/32/78/83/226327883.db2.gz BRODRSQREFDWIH-HIFRSBDPSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)COC(C)C)c1C ZINC000501431601 534756098 /nfs/dbraw/zinc/75/60/98/534756098.db2.gz BRODRSQREFDWIH-UKRRQHHQSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)COC(C)C)c1C ZINC000501431602 226327917 /nfs/dbraw/zinc/32/79/17/226327917.db2.gz BRODRSQREFDWIH-ZFWWWQNUSA-N 1 0 249.398 3.768 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)N1CC[C@](C)(F)C1 ZINC000501438196 226328022 /nfs/dbraw/zinc/32/80/22/226328022.db2.gz ZBLKVKRLYPGMHE-GWCFXTLKSA-N 1 0 241.737 3.835 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)N1CC[C@@](C)(F)C1 ZINC000501438197 226327922 /nfs/dbraw/zinc/32/79/22/226327922.db2.gz ZBLKVKRLYPGMHE-GXFFZTMASA-N 1 0 241.737 3.835 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)N1CC[C@](C)(F)C1 ZINC000501438198 226327744 /nfs/dbraw/zinc/32/77/44/226327744.db2.gz ZBLKVKRLYPGMHE-MFKMUULPSA-N 1 0 241.737 3.835 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)N1CC[C@@](C)(F)C1 ZINC000501438199 226327895 /nfs/dbraw/zinc/32/78/95/226327895.db2.gz ZBLKVKRLYPGMHE-ZWNOBZJWSA-N 1 0 241.737 3.835 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)COC(C)C)c1 ZINC000501442357 226327962 /nfs/dbraw/zinc/32/79/62/226327962.db2.gz IZABSCNEMJHKKZ-CABCVRRESA-N 1 0 249.398 3.502 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)COC(C)C)c1 ZINC000501442358 226328003 /nfs/dbraw/zinc/32/80/03/226328003.db2.gz IZABSCNEMJHKKZ-GJZGRUSLSA-N 1 0 249.398 3.502 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H](C)COC(C)C)c1 ZINC000501442359 226327794 /nfs/dbraw/zinc/32/77/94/226327794.db2.gz IZABSCNEMJHKKZ-HUUCEWRRSA-N 1 0 249.398 3.502 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)COC(C)C)c1 ZINC000501442360 226327894 /nfs/dbraw/zinc/32/78/94/226327894.db2.gz IZABSCNEMJHKKZ-LSDHHAIUSA-N 1 0 249.398 3.502 20 0 BHADRO C[C@]1(F)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000501444964 226328009 /nfs/dbraw/zinc/32/80/09/226328009.db2.gz JASPHFXFKXVRBR-INIZCTEOSA-N 1 0 243.325 3.774 20 0 BHADRO C[C@@]1(F)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000501444965 226327950 /nfs/dbraw/zinc/32/79/50/226327950.db2.gz JASPHFXFKXVRBR-MRXNPFEDSA-N 1 0 243.325 3.774 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000501448452 528016525 /nfs/dbraw/zinc/01/65/25/528016525.db2.gz HEUCKOXKMLGCMR-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]CCCCC1CCCC1 ZINC000501448454 527997937 /nfs/dbraw/zinc/99/79/37/527997937.db2.gz HEUCKOXKMLGCMR-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000501450052 528000164 /nfs/dbraw/zinc/00/01/64/528000164.db2.gz LDEWMHGFZKXVLM-ILXRZTDVSA-N 1 0 249.398 3.582 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000501450053 527999958 /nfs/dbraw/zinc/99/99/58/527999958.db2.gz LDEWMHGFZKXVLM-KFWWJZLASA-N 1 0 249.398 3.582 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000501450054 527999837 /nfs/dbraw/zinc/99/98/37/527999837.db2.gz LDEWMHGFZKXVLM-QLFBSQMISA-N 1 0 249.398 3.582 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000501450055 527999035 /nfs/dbraw/zinc/99/90/35/527999035.db2.gz LDEWMHGFZKXVLM-RBSFLKMASA-N 1 0 249.398 3.582 20 0 BHADRO C[C@]1(F)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000501451747 226328073 /nfs/dbraw/zinc/32/80/73/226328073.db2.gz ZMUIAWZRSQWYQC-AWEZNQCLSA-N 1 0 249.354 3.835 20 0 BHADRO C[C@@]1(F)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000501451750 226328128 /nfs/dbraw/zinc/32/81/28/226328128.db2.gz ZMUIAWZRSQWYQC-CQSZACIVSA-N 1 0 249.354 3.835 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)COC(C)C)c(C)c1 ZINC000501453395 226328220 /nfs/dbraw/zinc/32/82/20/226328220.db2.gz VIOREOGRFUXWHN-HNNXBMFYSA-N 1 0 249.398 3.515 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)COC(C)C)c(C)c1 ZINC000501453397 226328077 /nfs/dbraw/zinc/32/80/77/226328077.db2.gz VIOREOGRFUXWHN-OAHLLOKOSA-N 1 0 249.398 3.515 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000501460421 528000032 /nfs/dbraw/zinc/00/00/32/528000032.db2.gz GLSKCXOPWHWRLG-ILXRZTDVSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000501460422 527999493 /nfs/dbraw/zinc/99/94/93/527999493.db2.gz GLSKCXOPWHWRLG-KFWWJZLASA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000501460423 527999515 /nfs/dbraw/zinc/99/95/15/527999515.db2.gz GLSKCXOPWHWRLG-QLFBSQMISA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000501460424 528000006 /nfs/dbraw/zinc/00/00/06/528000006.db2.gz GLSKCXOPWHWRLG-RBSFLKMASA-N 1 0 241.419 3.604 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CC1(C)CCC1 ZINC000501465507 529567610 /nfs/dbraw/zinc/56/76/10/529567610.db2.gz FEYGFCJIEHSKMI-UHFFFAOYSA-N 1 0 247.382 3.537 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000501466517 527999445 /nfs/dbraw/zinc/99/94/45/527999445.db2.gz JUSAHFGQUCXNLH-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000501466518 527999599 /nfs/dbraw/zinc/99/95/99/527999599.db2.gz JUSAHFGQUCXNLH-MCIONIFRSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000501466519 527999587 /nfs/dbraw/zinc/99/95/87/527999587.db2.gz JUSAHFGQUCXNLH-MGPQQGTHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000501466520 527999992 /nfs/dbraw/zinc/99/99/92/527999992.db2.gz JUSAHFGQUCXNLH-MJBXVCDLSA-N 1 0 241.419 3.604 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CC1(CC)CC1 ZINC000501472083 529568398 /nfs/dbraw/zinc/56/83/98/529568398.db2.gz LQXFRUQOUJPKPV-UHFFFAOYSA-N 1 0 247.382 3.537 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)COC(C)C ZINC000501473814 528870071 /nfs/dbraw/zinc/87/00/71/528870071.db2.gz HQVMLBBTAFJQSW-KFWWJZLASA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)COC(C)C ZINC000501473816 528875862 /nfs/dbraw/zinc/87/58/62/528875862.db2.gz HQVMLBBTAFJQSW-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)COC(C)C ZINC000501473818 528875979 /nfs/dbraw/zinc/87/59/79/528875979.db2.gz HQVMLBBTAFJQSW-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)COC(C)C ZINC000501473819 528870605 /nfs/dbraw/zinc/87/06/05/528870605.db2.gz HQVMLBBTAFJQSW-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)COC(C)C)CC1 ZINC000501476040 527832455 /nfs/dbraw/zinc/83/24/55/527832455.db2.gz UOBFCAKDMXYDHG-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)COC(C)C)CC1 ZINC000501476041 527832097 /nfs/dbraw/zinc/83/20/97/527832097.db2.gz UOBFCAKDMXYDHG-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)CC1CC1 ZINC000501476354 527534619 /nfs/dbraw/zinc/53/46/19/527534619.db2.gz IBSBCSLPTJMZAN-JWAFFJSPSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H](C)CC1CC1 ZINC000501476355 527506783 /nfs/dbraw/zinc/50/67/83/527506783.db2.gz IBSBCSLPTJMZAN-QLKUMGTLSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)CC1CC1 ZINC000501476356 527534960 /nfs/dbraw/zinc/53/49/60/527534960.db2.gz IBSBCSLPTJMZAN-UELRPHRMSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)CC1CC1 ZINC000501476357 527506829 /nfs/dbraw/zinc/50/68/29/527506829.db2.gz IBSBCSLPTJMZAN-ZVHGMHCTSA-N 1 0 229.367 3.868 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)COC(C)C)c1 ZINC000501476395 226328117 /nfs/dbraw/zinc/32/81/17/226328117.db2.gz LGIFCRIHQFDKCR-CABCVRRESA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)COC(C)C)c1 ZINC000501476398 226328037 /nfs/dbraw/zinc/32/80/37/226328037.db2.gz LGIFCRIHQFDKCR-GJZGRUSLSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)COC(C)C)c1 ZINC000501476400 226328029 /nfs/dbraw/zinc/32/80/29/226328029.db2.gz LGIFCRIHQFDKCR-HUUCEWRRSA-N 1 0 249.398 3.768 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)COC(C)C)c1 ZINC000501476401 226328221 /nfs/dbraw/zinc/32/82/21/226328221.db2.gz LGIFCRIHQFDKCR-LSDHHAIUSA-N 1 0 249.398 3.768 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000501481504 527999981 /nfs/dbraw/zinc/99/99/81/527999981.db2.gz SAAXNJLUFBAARG-GDBMZVCRSA-N 1 0 249.398 3.787 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000501481505 528016032 /nfs/dbraw/zinc/01/60/32/528016032.db2.gz SAAXNJLUFBAARG-GOEBONIOSA-N 1 0 249.398 3.787 20 0 BHADRO CC(C)OC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000501481506 528016089 /nfs/dbraw/zinc/01/60/89/528016089.db2.gz SAAXNJLUFBAARG-HOCLYGCPSA-N 1 0 249.398 3.787 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000501481507 527999116 /nfs/dbraw/zinc/99/91/16/527999116.db2.gz SAAXNJLUFBAARG-ZBFHGGJFSA-N 1 0 249.398 3.787 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000501482258 528079463 /nfs/dbraw/zinc/07/94/63/528079463.db2.gz SYEWUVCEACQJPG-NFOMZHRRSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000501482259 528080218 /nfs/dbraw/zinc/08/02/18/528080218.db2.gz SYEWUVCEACQJPG-WLYUNCDWSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)COC(C)C)cc1 ZINC000501492131 226328217 /nfs/dbraw/zinc/32/82/17/226328217.db2.gz RGQFYGBFUDBWDD-CABCVRRESA-N 1 0 249.398 3.502 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)COC(C)C)cc1 ZINC000501492132 226328226 /nfs/dbraw/zinc/32/82/26/226328226.db2.gz RGQFYGBFUDBWDD-GJZGRUSLSA-N 1 0 249.398 3.502 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H](C)COC(C)C)cc1 ZINC000501492133 226328177 /nfs/dbraw/zinc/32/81/77/226328177.db2.gz RGQFYGBFUDBWDD-HUUCEWRRSA-N 1 0 249.398 3.502 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)COC(C)C)cc1 ZINC000501492134 226328149 /nfs/dbraw/zinc/32/81/49/226328149.db2.gz RGQFYGBFUDBWDD-LSDHHAIUSA-N 1 0 249.398 3.502 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)C2CCCC2)c1 ZINC000501510763 528222734 /nfs/dbraw/zinc/22/27/34/528222734.db2.gz GCEDILXMZHQXLV-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO c1cc2c(s1)CC[N@@H+](CC1CCCCC1)C2 ZINC000501779775 226328755 /nfs/dbraw/zinc/32/87/55/226328755.db2.gz KFDZKFBBVAIYPT-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000501792243 226328522 /nfs/dbraw/zinc/32/85/22/226328522.db2.gz SQSICASRDJCLRW-IHRRRGAJSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000501792244 226328518 /nfs/dbraw/zinc/32/85/18/226328518.db2.gz SQSICASRDJCLRW-MCIONIFRSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000501792245 226328667 /nfs/dbraw/zinc/32/86/67/226328667.db2.gz SQSICASRDJCLRW-MJBXVCDLSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000501792246 226328747 /nfs/dbraw/zinc/32/87/47/226328747.db2.gz SQSICASRDJCLRW-RDBSUJKOSA-N 1 0 247.382 3.734 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC000501803787 534032064 /nfs/dbraw/zinc/03/20/64/534032064.db2.gz JTOVSWUEXNRQQW-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC000501803788 226328473 /nfs/dbraw/zinc/32/84/73/226328473.db2.gz JTOVSWUEXNRQQW-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCOCc1ccccc1 ZINC000501841209 528046044 /nfs/dbraw/zinc/04/60/44/528046044.db2.gz HDOPXUVDZJPBQJ-HNNXBMFYSA-N 1 0 249.398 3.714 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCOCc1ccccc1 ZINC000501841210 528887078 /nfs/dbraw/zinc/88/70/78/528887078.db2.gz HDOPXUVDZJPBQJ-OAHLLOKOSA-N 1 0 249.398 3.714 20 0 BHADRO CC1=CCC[N@H+](CCSC2CCCCC2)C1 ZINC000501845980 528103754 /nfs/dbraw/zinc/10/37/54/528103754.db2.gz ZNJOIJLVIFRFAQ-UHFFFAOYSA-N 1 0 239.428 3.704 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000501849175 529375419 /nfs/dbraw/zinc/37/54/19/529375419.db2.gz FIVOAGUOSDSSKK-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000501849176 529182483 /nfs/dbraw/zinc/18/24/83/529182483.db2.gz FIVOAGUOSDSSKK-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000501850189 529345254 /nfs/dbraw/zinc/34/52/54/529345254.db2.gz RBXBSSOQWCVGHK-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000501850190 529691351 /nfs/dbraw/zinc/69/13/51/529691351.db2.gz RBXBSSOQWCVGHK-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000501870214 527726278 /nfs/dbraw/zinc/72/62/78/527726278.db2.gz MICUJGYYEUFEPP-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000501870215 527727137 /nfs/dbraw/zinc/72/71/37/527727137.db2.gz MICUJGYYEUFEPP-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000501872899 529687230 /nfs/dbraw/zinc/68/72/30/529687230.db2.gz KBARMGJWSPZEAG-CMPYXILNSA-N 1 0 217.356 3.820 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000501872901 529687111 /nfs/dbraw/zinc/68/71/11/529687111.db2.gz KBARMGJWSPZEAG-FZDNWWAKSA-N 1 0 217.356 3.820 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000501872902 529340806 /nfs/dbraw/zinc/34/08/06/529340806.db2.gz KBARMGJWSPZEAG-YBEMTRGBSA-N 1 0 217.356 3.820 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000501872904 529340863 /nfs/dbraw/zinc/34/08/63/529340863.db2.gz KBARMGJWSPZEAG-YPDDLIOESA-N 1 0 217.356 3.820 20 0 BHADRO c1ccc(C[C@H]2CCC[N@H+]2CC2CCCC2)cc1 ZINC000501873449 226328506 /nfs/dbraw/zinc/32/85/06/226328506.db2.gz VFKJNSRAPHYZKH-QGZVFWFLSA-N 1 0 243.394 3.884 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000501874258 529350225 /nfs/dbraw/zinc/35/02/25/529350225.db2.gz YACFUBNXWFLRNJ-CYBMUJFWSA-N 1 0 235.346 3.746 20 0 BHADRO CC[C@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000501874260 529695969 /nfs/dbraw/zinc/69/59/69/529695969.db2.gz YACFUBNXWFLRNJ-ZDUSSCGKSA-N 1 0 235.346 3.746 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000501874867 529356767 /nfs/dbraw/zinc/35/67/67/529356767.db2.gz HXASSUVCXQMNOT-DOMZBBRYSA-N 1 0 235.346 3.588 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000501874868 529357007 /nfs/dbraw/zinc/35/70/07/529357007.db2.gz HXASSUVCXQMNOT-IUODEOHRSA-N 1 0 235.346 3.588 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000501874869 529701988 /nfs/dbraw/zinc/70/19/88/529701988.db2.gz HXASSUVCXQMNOT-SWLSCSKDSA-N 1 0 235.346 3.588 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000501874870 529702006 /nfs/dbraw/zinc/70/20/06/529702006.db2.gz HXASSUVCXQMNOT-WFASDCNBSA-N 1 0 235.346 3.588 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000501878186 529183598 /nfs/dbraw/zinc/18/35/98/529183598.db2.gz YNWUZRGDWWBFLP-BPUTZDHNSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000501878188 529182544 /nfs/dbraw/zinc/18/25/44/529182544.db2.gz YNWUZRGDWWBFLP-CWRNSKLLSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000501878189 529183310 /nfs/dbraw/zinc/18/33/10/529183310.db2.gz YNWUZRGDWWBFLP-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000501878190 529182275 /nfs/dbraw/zinc/18/22/75/529182275.db2.gz YNWUZRGDWWBFLP-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000501899198 529344689 /nfs/dbraw/zinc/34/46/89/529344689.db2.gz JZBFJQZHOCPZKF-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000501899199 529691463 /nfs/dbraw/zinc/69/14/63/529691463.db2.gz JZBFJQZHOCPZKF-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000501899581 528888229 /nfs/dbraw/zinc/88/82/29/528888229.db2.gz NSFCPTYZKWJHCR-GFCCVEGCSA-N 1 0 230.355 3.788 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000501899597 528047807 /nfs/dbraw/zinc/04/78/07/528047807.db2.gz NSFCPTYZKWJHCR-LBPRGKRZSA-N 1 0 230.355 3.788 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000501901531 528888636 /nfs/dbraw/zinc/88/86/36/528888636.db2.gz UXDBKCKOHLRYEM-GFCCVEGCSA-N 1 0 223.335 3.755 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000501901534 528047300 /nfs/dbraw/zinc/04/73/00/528047300.db2.gz UXDBKCKOHLRYEM-LBPRGKRZSA-N 1 0 223.335 3.755 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000501902410 529344987 /nfs/dbraw/zinc/34/49/87/529344987.db2.gz YGQAQPJIRIOWNR-CYBMUJFWSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000501902414 529691161 /nfs/dbraw/zinc/69/11/61/529691161.db2.gz YGQAQPJIRIOWNR-ZDUSSCGKSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000501902664 529344623 /nfs/dbraw/zinc/34/46/23/529344623.db2.gz YEDLKOFQHKYWCT-CYBMUJFWSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000501902665 529691112 /nfs/dbraw/zinc/69/11/12/529691112.db2.gz YEDLKOFQHKYWCT-ZDUSSCGKSA-N 1 0 205.345 3.534 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000501912247 528888870 /nfs/dbraw/zinc/88/88/70/528888870.db2.gz BGYFHHFKBFIGGG-GFCCVEGCSA-N 1 0 230.355 3.788 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000501912248 528047827 /nfs/dbraw/zinc/04/78/27/528047827.db2.gz BGYFHHFKBFIGGG-LBPRGKRZSA-N 1 0 230.355 3.788 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000501915157 528048029 /nfs/dbraw/zinc/04/80/29/528048029.db2.gz JCCUGFAHXKDFLO-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000501915158 528887338 /nfs/dbraw/zinc/88/73/38/528887338.db2.gz JCCUGFAHXKDFLO-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000501920331 528891073 /nfs/dbraw/zinc/89/10/73/528891073.db2.gz KYMBIJARHFWGFL-CYBMUJFWSA-N 1 0 217.356 3.542 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000501920332 528051736 /nfs/dbraw/zinc/05/17/36/528051736.db2.gz KYMBIJARHFWGFL-ZDUSSCGKSA-N 1 0 217.356 3.542 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000501925317 226328844 /nfs/dbraw/zinc/32/88/44/226328844.db2.gz CIHGGYNYVUZONI-DZGCQCFKSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000501925319 533791456 /nfs/dbraw/zinc/79/14/56/533791456.db2.gz CIHGGYNYVUZONI-HIFRSBDPSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000501925320 533895055 /nfs/dbraw/zinc/89/50/55/533895055.db2.gz CIHGGYNYVUZONI-UKRRQHHQSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000501925322 534180669 /nfs/dbraw/zinc/18/06/69/534180669.db2.gz CIHGGYNYVUZONI-ZFWWWQNUSA-N 1 0 249.423 3.698 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000501931156 528891428 /nfs/dbraw/zinc/89/14/28/528891428.db2.gz ZZHWZJVBFVWSNY-CYBMUJFWSA-N 1 0 217.356 3.542 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000501931157 528052383 /nfs/dbraw/zinc/05/23/83/528052383.db2.gz ZZHWZJVBFVWSNY-ZDUSSCGKSA-N 1 0 217.356 3.542 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C ZINC000501937665 528886628 /nfs/dbraw/zinc/88/66/28/528886628.db2.gz HJABOSYWZMSPHX-GFCCVEGCSA-N 1 0 223.335 3.755 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C ZINC000501937666 528047152 /nfs/dbraw/zinc/04/71/52/528047152.db2.gz HJABOSYWZMSPHX-LBPRGKRZSA-N 1 0 223.335 3.755 20 0 BHADRO CCC[C@H](C)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000501948187 528046401 /nfs/dbraw/zinc/04/64/01/528046401.db2.gz FCDSGZYDUSPHLF-AWEZNQCLSA-N 1 0 231.383 3.839 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000501948189 528887331 /nfs/dbraw/zinc/88/73/31/528887331.db2.gz FCDSGZYDUSPHLF-CQSZACIVSA-N 1 0 231.383 3.839 20 0 BHADRO CCC[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000501999875 528894853 /nfs/dbraw/zinc/89/48/53/528894853.db2.gz JMXWVTPVEXHLAI-CYBMUJFWSA-N 1 0 229.367 3.722 20 0 BHADRO CCC[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000501999965 528056504 /nfs/dbraw/zinc/05/65/04/528056504.db2.gz JMXWVTPVEXHLAI-ZDUSSCGKSA-N 1 0 229.367 3.722 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](OC)C(C)(C)C ZINC000502054335 529283174 /nfs/dbraw/zinc/28/31/74/529283174.db2.gz CVAFSYQLCSSKNO-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C(C)(C)C ZINC000502054616 529290449 /nfs/dbraw/zinc/29/04/49/529290449.db2.gz CVAFSYQLCSSKNO-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C(C)(C)C ZINC000502054617 529290480 /nfs/dbraw/zinc/29/04/80/529290480.db2.gz CVAFSYQLCSSKNO-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](OC)C(C)(C)C ZINC000502054618 529283203 /nfs/dbraw/zinc/28/32/03/529283203.db2.gz CVAFSYQLCSSKNO-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000502058595 529282974 /nfs/dbraw/zinc/28/29/74/529282974.db2.gz QJHRZPMRXMRSRD-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000502058596 529282986 /nfs/dbraw/zinc/28/29/86/529282986.db2.gz QJHRZPMRXMRSRD-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000502058597 529282823 /nfs/dbraw/zinc/28/28/23/529282823.db2.gz QJHRZPMRXMRSRD-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000502058598 529282992 /nfs/dbraw/zinc/28/29/92/529282992.db2.gz QJHRZPMRXMRSRD-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cc(C[N@@H+](CC(C)C)C2CC2)cc(C)c1O ZINC000502067682 226329149 /nfs/dbraw/zinc/32/91/49/226329149.db2.gz WVVWFOLGQICKTA-UHFFFAOYSA-N 1 0 247.382 3.629 20 0 BHADRO CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000502211946 528777427 /nfs/dbraw/zinc/77/74/27/528777427.db2.gz XCLKGXZYJWCPSA-UHFFFAOYSA-N 1 0 231.383 3.968 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000502241734 534696551 /nfs/dbraw/zinc/69/65/51/534696551.db2.gz NUJFSSZZDXZMPP-GVDBMIGSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000502241735 534695842 /nfs/dbraw/zinc/69/58/42/534695842.db2.gz NUJFSSZZDXZMPP-ZACQAIPSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000502241764 226329348 /nfs/dbraw/zinc/32/93/48/226329348.db2.gz KHEJPLIKGOYPSF-ARFHVFGLSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000502241766 226329358 /nfs/dbraw/zinc/32/93/58/226329358.db2.gz KHEJPLIKGOYPSF-OAGGEKHMSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)c1ccccc1 ZINC000502243765 226329390 /nfs/dbraw/zinc/32/93/90/226329390.db2.gz RZZRYNUNJFSMTA-DZUCGIPZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)c1ccccc1 ZINC000502243768 226329355 /nfs/dbraw/zinc/32/93/55/226329355.db2.gz RZZRYNUNJFSMTA-XLNGHYISSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1ccccc1F ZINC000502243837 226329432 /nfs/dbraw/zinc/32/94/32/226329432.db2.gz SKRQLJBQGMIFTH-BMFZPTHFSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1ccccc1F ZINC000502243848 534189098 /nfs/dbraw/zinc/18/90/98/534189098.db2.gz SKRQLJBQGMIFTH-KBMXLJTQSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1cccc(F)c1 ZINC000502253976 226329323 /nfs/dbraw/zinc/32/93/23/226329323.db2.gz VRWSREAJJAPFCZ-BMFZPTHFSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1cccc(F)c1 ZINC000502253979 534189484 /nfs/dbraw/zinc/18/94/84/534189484.db2.gz VRWSREAJJAPFCZ-KBMXLJTQSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000502255587 533806597 /nfs/dbraw/zinc/80/65/97/533806597.db2.gz PIEGRFOPQMVXDS-GVDBMIGSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000502255589 533805857 /nfs/dbraw/zinc/80/58/57/533805857.db2.gz PIEGRFOPQMVXDS-ZACQAIPSSA-N 1 0 243.394 3.706 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)s1 ZINC000502255658 529656261 /nfs/dbraw/zinc/65/62/61/529656261.db2.gz PSBOADHAVBQZTQ-DFBGVHRSSA-N 1 0 249.423 3.979 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)s1 ZINC000502255668 529656316 /nfs/dbraw/zinc/65/63/16/529656316.db2.gz PSBOADHAVBQZTQ-NILFDRSVSA-N 1 0 249.423 3.979 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1ccc(F)cc1 ZINC000502258915 534188730 /nfs/dbraw/zinc/18/87/30/534188730.db2.gz SMWOROCGUMDERD-BMFZPTHFSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1ccc(F)cc1 ZINC000502258918 534189702 /nfs/dbraw/zinc/18/97/02/534189702.db2.gz SMWOROCGUMDERD-KBMXLJTQSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000502273204 226329585 /nfs/dbraw/zinc/32/95/85/226329585.db2.gz KKOONBZZXYKTIE-ARFHVFGLSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000502273206 226329511 /nfs/dbraw/zinc/32/95/11/226329511.db2.gz KKOONBZZXYKTIE-OAGGEKHMSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCc1ccccc1 ZINC000502273577 534188905 /nfs/dbraw/zinc/18/89/05/534188905.db2.gz LDFSGBAVKZCIND-IKGGRYGDSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCc1ccccc1 ZINC000502273579 534189709 /nfs/dbraw/zinc/18/97/09/534189709.db2.gz LDFSGBAVKZCIND-ZACQAIPSSA-N 1 0 243.394 3.788 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1F ZINC000502274485 226329518 /nfs/dbraw/zinc/32/95/18/226329518.db2.gz NGPAPWUCGIUGRL-BMFZPTHFSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1F ZINC000502274488 226329509 /nfs/dbraw/zinc/32/95/09/226329509.db2.gz NGPAPWUCGIUGRL-NUEKZKHPSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)ccc1F ZINC000502277195 533718122 /nfs/dbraw/zinc/71/81/22/533718122.db2.gz BIUVFIVUAILTLT-BMFZPTHFSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)ccc1F ZINC000502277200 533721086 /nfs/dbraw/zinc/72/10/86/533721086.db2.gz BIUVFIVUAILTLT-NUEKZKHPSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502284045 226329565 /nfs/dbraw/zinc/32/95/65/226329565.db2.gz LPWZAQNLSZYBLC-GVDBMIGSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502284046 226329538 /nfs/dbraw/zinc/32/95/38/226329538.db2.gz LPWZAQNLSZYBLC-ZACQAIPSSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502285483 226329550 /nfs/dbraw/zinc/32/95/50/226329550.db2.gz UJRDCNCFFNDEIO-ARFHVFGLSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502285485 226329477 /nfs/dbraw/zinc/32/94/77/226329477.db2.gz UJRDCNCFFNDEIO-OAGGEKHMSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C)Cc1ccccc1 ZINC000502316111 226329470 /nfs/dbraw/zinc/32/94/70/226329470.db2.gz KDNRIYHYEXZLPA-DZKIICNBSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1C)Cc1ccccc1 ZINC000502316112 226329576 /nfs/dbraw/zinc/32/95/76/226329576.db2.gz KDNRIYHYEXZLPA-LZWOXQAQSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)Cc1ccccc1 ZINC000502316113 226329523 /nfs/dbraw/zinc/32/95/23/226329523.db2.gz KDNRIYHYEXZLPA-OFQRWUPVSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)Cc1ccccc1 ZINC000502316114 226329502 /nfs/dbraw/zinc/32/95/02/226329502.db2.gz KDNRIYHYEXZLPA-SQWLQELKSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000502332132 527627904 /nfs/dbraw/zinc/62/79/04/527627904.db2.gz LCAZWHUUDOGWQT-HIFPTAJRSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000502332133 527627485 /nfs/dbraw/zinc/62/74/85/527627485.db2.gz LCAZWHUUDOGWQT-PNESKVBLSA-N 1 0 245.357 3.836 20 0 BHADRO COCC1(C[NH2+][C@@H](C)CCC=C(C)C)CCC1 ZINC000502334556 226329469 /nfs/dbraw/zinc/32/94/69/226329469.db2.gz QYNGTEUMCIBXRU-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO COCC1(C[NH2+][C@H](C)CCC=C(C)C)CCC1 ZINC000502334557 226329525 /nfs/dbraw/zinc/32/95/25/226329525.db2.gz QYNGTEUMCIBXRU-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000502338841 533999714 /nfs/dbraw/zinc/99/97/14/533999714.db2.gz HQVGUFFIHHCKTE-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000502338842 533524040 /nfs/dbraw/zinc/52/40/40/533524040.db2.gz HQVGUFFIHHCKTE-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000502338843 533985644 /nfs/dbraw/zinc/98/56/44/533985644.db2.gz HQVGUFFIHHCKTE-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000502338844 226329592 /nfs/dbraw/zinc/32/95/92/226329592.db2.gz HQVGUFFIHHCKTE-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000502369783 534188739 /nfs/dbraw/zinc/18/87/39/534188739.db2.gz DKGUWOZJLSMKOZ-ILXRZTDVSA-N 1 0 233.399 3.735 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C2CC2)CCC1 ZINC000502369784 534189462 /nfs/dbraw/zinc/18/94/62/534189462.db2.gz DKGUWOZJLSMKOZ-KFWWJZLASA-N 1 0 233.399 3.735 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502376859 529683592 /nfs/dbraw/zinc/68/35/92/529683592.db2.gz SIOMQLBHOAKZMJ-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502376860 529683578 /nfs/dbraw/zinc/68/35/78/529683578.db2.gz SIOMQLBHOAKZMJ-BYNSBNAKSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502376861 529683559 /nfs/dbraw/zinc/68/35/59/529683559.db2.gz SIOMQLBHOAKZMJ-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502376862 529683561 /nfs/dbraw/zinc/68/35/61/529683561.db2.gz SIOMQLBHOAKZMJ-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCC2)Cc1cccs1 ZINC000502385766 226329803 /nfs/dbraw/zinc/32/98/03/226329803.db2.gz FDBZHONSDSAROW-GXTWGEPZSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCC2)Cc1cccs1 ZINC000502385767 226329631 /nfs/dbraw/zinc/32/96/31/226329631.db2.gz FDBZHONSDSAROW-JSGCOSHPSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCC2)Cc1cccs1 ZINC000502385768 534083665 /nfs/dbraw/zinc/08/36/65/534083665.db2.gz FDBZHONSDSAROW-OCCSQVGLSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)Cc1cccs1 ZINC000502385769 534079558 /nfs/dbraw/zinc/07/95/58/534079558.db2.gz FDBZHONSDSAROW-TZMCWYRMSA-N 1 0 249.423 3.849 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000502393170 226329777 /nfs/dbraw/zinc/32/97/77/226329777.db2.gz SHZRFFAAYXMGSJ-GDBMZVCRSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000502393171 226329703 /nfs/dbraw/zinc/32/97/03/226329703.db2.gz SHZRFFAAYXMGSJ-GOEBONIOSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000502393172 226329686 /nfs/dbraw/zinc/32/96/86/226329686.db2.gz SHZRFFAAYXMGSJ-HOCLYGCPSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000502393173 226329672 /nfs/dbraw/zinc/32/96/72/226329672.db2.gz SHZRFFAAYXMGSJ-ZBFHGGJFSA-N 1 0 243.394 3.848 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000502397789 534483770 /nfs/dbraw/zinc/48/37/70/534483770.db2.gz BWJLBTCRTBCEBX-GPANFISMSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000502397790 534483747 /nfs/dbraw/zinc/48/37/47/534483747.db2.gz BWJLBTCRTBCEBX-UYSNPLJNSA-N 1 0 241.378 3.855 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000502402382 534419549 /nfs/dbraw/zinc/41/95/49/534419549.db2.gz CYNIWNUCZDTGKO-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000502402387 534414982 /nfs/dbraw/zinc/41/49/82/534414982.db2.gz CYNIWNUCZDTGKO-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000502402394 534419191 /nfs/dbraw/zinc/41/91/91/534419191.db2.gz CYNIWNUCZDTGKO-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000502402397 534415501 /nfs/dbraw/zinc/41/55/01/534415501.db2.gz CYNIWNUCZDTGKO-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2)oc1C ZINC000502404836 226329788 /nfs/dbraw/zinc/32/97/88/226329788.db2.gz HXAZACRGWNXZPH-CYBMUJFWSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2)oc1C ZINC000502404837 226329628 /nfs/dbraw/zinc/32/96/28/226329628.db2.gz HXAZACRGWNXZPH-ZDUSSCGKSA-N 1 0 243.350 3.790 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502405463 487740909 /nfs/dbraw/zinc/74/09/09/487740909.db2.gz UVRUAOKPKVMREU-INIZCTEOSA-N 1 0 243.394 3.714 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502405764 487740946 /nfs/dbraw/zinc/74/09/46/487740946.db2.gz UVRUAOKPKVMREU-MRXNPFEDSA-N 1 0 243.394 3.714 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502409077 226329657 /nfs/dbraw/zinc/32/96/57/226329657.db2.gz WLUAKFOMYXQYFC-NWANDNLSSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502409078 226329958 /nfs/dbraw/zinc/32/99/58/226329958.db2.gz WLUAKFOMYXQYFC-YUELXQCFSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CCC23CCC3)c1 ZINC000502410720 226329837 /nfs/dbraw/zinc/32/98/37/226329837.db2.gz XVHPJMZSGDUVMM-INIZCTEOSA-N 1 0 243.394 3.768 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000502410722 226329848 /nfs/dbraw/zinc/32/98/48/226329848.db2.gz XVHPJMZSGDUVMM-MRXNPFEDSA-N 1 0 243.394 3.768 20 0 BHADRO C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000502413420 526420623 /nfs/dbraw/zinc/42/06/23/526420623.db2.gz IRUSTNFOPOAEAM-APIJFGDWSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000502413421 526420952 /nfs/dbraw/zinc/42/09/52/526420952.db2.gz IRUSTNFOPOAEAM-CBBWQLFWSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000502413422 526421407 /nfs/dbraw/zinc/42/14/07/526421407.db2.gz IRUSTNFOPOAEAM-KBXIAJHMSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000502413423 526421586 /nfs/dbraw/zinc/42/15/86/526421586.db2.gz IRUSTNFOPOAEAM-QPSCCSFWSA-N 1 0 233.399 3.878 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H]1CCC12CCC2 ZINC000502417944 534664327 /nfs/dbraw/zinc/66/43/27/534664327.db2.gz STWDWFHYVOCRQE-INIZCTEOSA-N 1 0 243.394 3.768 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H]1CCC12CCC2 ZINC000502417946 534664475 /nfs/dbraw/zinc/66/44/75/534664475.db2.gz STWDWFHYVOCRQE-MRXNPFEDSA-N 1 0 243.394 3.768 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@H]1CCC12CCC2 ZINC000502418499 527467122 /nfs/dbraw/zinc/46/71/22/527467122.db2.gz TVGIYCBFDVHKFI-LWUPOJRFSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC12CCC2 ZINC000502418509 527467699 /nfs/dbraw/zinc/46/76/99/527467699.db2.gz TVGIYCBFDVHKFI-SGJXGLNRSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC12CCC2 ZINC000502418511 527470900 /nfs/dbraw/zinc/47/09/00/527470900.db2.gz TVGIYCBFDVHKFI-UFRMUOTOSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@H]1CCC12CCC2 ZINC000502418513 527470960 /nfs/dbraw/zinc/47/09/60/527470960.db2.gz TVGIYCBFDVHKFI-UVCVVPOWSA-N 1 0 227.351 3.622 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H](C)CC(C)C ZINC000502423820 528830983 /nfs/dbraw/zinc/83/09/83/528830983.db2.gz DLFAZBMBJARONH-AWEZNQCLSA-N 1 0 219.372 3.943 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@H](C)CC(C)C ZINC000502423821 528831355 /nfs/dbraw/zinc/83/13/55/528831355.db2.gz DLFAZBMBJARONH-CQSZACIVSA-N 1 0 219.372 3.943 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000502425662 534079088 /nfs/dbraw/zinc/07/90/88/534079088.db2.gz DEYCFJJOCYRGCU-DZGCQCFKSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000502425663 226329691 /nfs/dbraw/zinc/32/96/91/226329691.db2.gz DEYCFJJOCYRGCU-HIFRSBDPSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000502425665 226329634 /nfs/dbraw/zinc/32/96/34/226329634.db2.gz DEYCFJJOCYRGCU-UKRRQHHQSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000502425667 534083547 /nfs/dbraw/zinc/08/35/47/534083547.db2.gz DEYCFJJOCYRGCU-ZFWWWQNUSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000502426751 528258886 /nfs/dbraw/zinc/25/88/86/528258886.db2.gz UJEFJPNTPINHOM-GDBMZVCRSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000502426753 528467297 /nfs/dbraw/zinc/46/72/97/528467297.db2.gz UJEFJPNTPINHOM-GOEBONIOSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000502426754 528467691 /nfs/dbraw/zinc/46/76/91/528467691.db2.gz UJEFJPNTPINHOM-HOCLYGCPSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000502426755 528257623 /nfs/dbraw/zinc/25/76/23/528257623.db2.gz UJEFJPNTPINHOM-ZBFHGGJFSA-N 1 0 231.383 3.911 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCC34CCC4)CCC2)cc1 ZINC000502431720 534480169 /nfs/dbraw/zinc/48/01/69/534480169.db2.gz BDYMPEKQQHTZNM-HNNXBMFYSA-N 1 0 241.378 3.988 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCC34CCC4)CCC2)cc1 ZINC000502431722 534481695 /nfs/dbraw/zinc/48/16/95/534481695.db2.gz BDYMPEKQQHTZNM-OAHLLOKOSA-N 1 0 241.378 3.988 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000502432170 226330006 /nfs/dbraw/zinc/33/00/06/226330006.db2.gz CQPAQEKYTLSFAZ-DOMZBBRYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000502432173 226329955 /nfs/dbraw/zinc/32/99/55/226329955.db2.gz CQPAQEKYTLSFAZ-IUODEOHRSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000502432175 534080109 /nfs/dbraw/zinc/08/01/09/534080109.db2.gz CQPAQEKYTLSFAZ-SWLSCSKDSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCC2)c1ccc(F)cc1 ZINC000502432176 534084416 /nfs/dbraw/zinc/08/44/16/534084416.db2.gz CQPAQEKYTLSFAZ-WFASDCNBSA-N 1 0 247.357 3.852 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)oc1C ZINC000502432178 226329917 /nfs/dbraw/zinc/32/99/17/226329917.db2.gz QTHFSMWXDIDDFF-BDAKNGLRSA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)oc1C ZINC000502432191 226329985 /nfs/dbraw/zinc/32/99/85/226329985.db2.gz QTHFSMWXDIDDFF-DTWKUNHWSA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)oc1C ZINC000502432193 226329964 /nfs/dbraw/zinc/32/99/64/226329964.db2.gz QTHFSMWXDIDDFF-IUCAKERBSA-N 1 0 249.276 3.745 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)oc1C ZINC000502432194 226329859 /nfs/dbraw/zinc/32/98/59/226329859.db2.gz QTHFSMWXDIDDFF-RKDXNWHRSA-N 1 0 249.276 3.745 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434896 534085680 /nfs/dbraw/zinc/08/56/80/534085680.db2.gz MKBUJQLHBGFJJJ-DAXOMENPSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434897 534089434 /nfs/dbraw/zinc/08/94/34/534089434.db2.gz MKBUJQLHBGFJJJ-KCXAZCMYSA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434898 534084811 /nfs/dbraw/zinc/08/48/11/534084811.db2.gz MKBUJQLHBGFJJJ-UHOFOFEASA-N 1 0 241.378 3.842 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434899 385375864 /nfs/dbraw/zinc/37/58/64/385375864.db2.gz MKBUJQLHBGFJJJ-WQVCFCJDSA-N 1 0 241.378 3.842 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)oc1C ZINC000502439394 385377101 /nfs/dbraw/zinc/37/71/01/385377101.db2.gz AACLEPTTZKAXTJ-BXUZGUMPSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC23CCCC3)oc1C ZINC000502439397 385376998 /nfs/dbraw/zinc/37/69/98/385376998.db2.gz AACLEPTTZKAXTJ-FZMZJTMJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC23CCCC3)oc1C ZINC000502439398 385376421 /nfs/dbraw/zinc/37/64/21/385376421.db2.gz AACLEPTTZKAXTJ-RISCZKNCSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC23CCCC3)oc1C ZINC000502439399 385377185 /nfs/dbraw/zinc/37/71/85/385377185.db2.gz AACLEPTTZKAXTJ-SMDDNHRTSA-N 1 0 233.355 3.880 20 0 BHADRO COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000502442036 226330015 /nfs/dbraw/zinc/33/00/15/226330015.db2.gz HXOIRTYORAVTNO-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000502442037 226329869 /nfs/dbraw/zinc/32/98/69/226329869.db2.gz HXOIRTYORAVTNO-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000502448112 527445171 /nfs/dbraw/zinc/44/51/71/527445171.db2.gz UWOODBPEQQTENS-CYBMUJFWSA-N 1 0 247.386 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000502448113 527444832 /nfs/dbraw/zinc/44/48/32/527444832.db2.gz UWOODBPEQQTENS-ZDUSSCGKSA-N 1 0 247.386 3.615 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCC(F)(F)CC1 ZINC000502448441 534188861 /nfs/dbraw/zinc/18/88/61/534188861.db2.gz ANZJXMHAMLKTPM-RTXFEEFZSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCC(F)(F)CC1 ZINC000502448444 534188845 /nfs/dbraw/zinc/18/88/45/534188845.db2.gz ANZJXMHAMLKTPM-WXHSDQCUSA-N 1 0 243.341 3.733 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502448526 226329956 /nfs/dbraw/zinc/32/99/56/226329956.db2.gz AYLVVHTUISPFNY-BZUAXINKSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502448527 226329838 /nfs/dbraw/zinc/32/98/38/226329838.db2.gz AYLVVHTUISPFNY-OAGGEKHMSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502448529 226330023 /nfs/dbraw/zinc/33/00/23/226330023.db2.gz AYLVVHTUISPFNY-OWCLPIDISA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502448531 226329895 /nfs/dbraw/zinc/32/98/95/226329895.db2.gz AYLVVHTUISPFNY-PMPSAXMXSA-N 1 0 241.378 3.540 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000502451444 528804979 /nfs/dbraw/zinc/80/49/79/528804979.db2.gz KHPFVBAZLWLSHK-GFCCVEGCSA-N 1 0 249.402 3.837 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000502451446 528804450 /nfs/dbraw/zinc/80/44/50/528804450.db2.gz KHPFVBAZLWLSHK-LBPRGKRZSA-N 1 0 249.402 3.837 20 0 BHADRO C1[C@H]([NH2+][C@H]2CCC23CCC3)[C@@H]1C1CCCCC1 ZINC000502451455 526423675 /nfs/dbraw/zinc/42/36/75/526423675.db2.gz KKMUDNFIEGVSCL-KKUMJFAQSA-N 1 0 233.399 3.878 20 0 BHADRO C1[C@@H]([NH2+][C@@H]2CCC23CCC3)[C@@H]1C1CCCCC1 ZINC000502451457 526423379 /nfs/dbraw/zinc/42/33/79/526423379.db2.gz KKMUDNFIEGVSCL-RRFJBIMHSA-N 1 0 233.399 3.878 20 0 BHADRO C1[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H]1C1CCCCC1 ZINC000502451460 526424214 /nfs/dbraw/zinc/42/42/14/526424214.db2.gz KKMUDNFIEGVSCL-SOUVJXGZSA-N 1 0 233.399 3.878 20 0 BHADRO C1[C@@H]([NH2+][C@H]2CCC23CCC3)[C@@H]1C1CCCCC1 ZINC000502451462 526423984 /nfs/dbraw/zinc/42/39/84/526423984.db2.gz KKMUDNFIEGVSCL-ZNMIVQPWSA-N 1 0 233.399 3.878 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCC2 ZINC000502453945 528430347 /nfs/dbraw/zinc/43/03/47/528430347.db2.gz LVIGGNPNVZJHCQ-GHMZBOCLSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCC2 ZINC000502453947 528429710 /nfs/dbraw/zinc/42/97/10/528429710.db2.gz LVIGGNPNVZJHCQ-MNOVXSKESA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC12CCC2 ZINC000502453948 528980865 /nfs/dbraw/zinc/98/08/65/528980865.db2.gz LVIGGNPNVZJHCQ-QWRGUYRKSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC12CCC2 ZINC000502453949 528980929 /nfs/dbraw/zinc/98/09/29/528980929.db2.gz LVIGGNPNVZJHCQ-WDEREUQCSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CCC12CCC2 ZINC000502455369 226330134 /nfs/dbraw/zinc/33/01/34/226330134.db2.gz QNZRYFXZHOVMNN-HNNXBMFYSA-N 1 0 247.357 3.599 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000502455371 226330176 /nfs/dbraw/zinc/33/01/76/226330176.db2.gz QNZRYFXZHOVMNN-OAHLLOKOSA-N 1 0 247.357 3.599 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cnn(C2CCCC2)c1 ZINC000502464523 226330273 /nfs/dbraw/zinc/33/02/73/226330273.db2.gz SNGNRLORSVJUIZ-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cnn(C2CCCC2)c1 ZINC000502464524 533827882 /nfs/dbraw/zinc/82/78/82/533827882.db2.gz SNGNRLORSVJUIZ-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CCC12CCC2 ZINC000502465983 226330269 /nfs/dbraw/zinc/33/02/69/226330269.db2.gz WDBHAVZWWUDCBK-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CCC12CCC2 ZINC000502465984 226330051 /nfs/dbraw/zinc/33/00/51/226330051.db2.gz WDBHAVZWWUDCBK-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000502469358 226330220 /nfs/dbraw/zinc/33/02/20/226330220.db2.gz BWJLBTCRTBCEBX-BZUAXINKSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000502469359 226330172 /nfs/dbraw/zinc/33/01/72/226330172.db2.gz BWJLBTCRTBCEBX-JYJNAYRXSA-N 1 0 241.378 3.855 20 0 BHADRO CC[C@H](F)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502484414 529438779 /nfs/dbraw/zinc/43/87/79/529438779.db2.gz HBSBZEKASLNAOP-GXTWGEPZSA-N 1 0 241.325 3.861 20 0 BHADRO CC[C@H](F)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502484415 529438740 /nfs/dbraw/zinc/43/87/40/529438740.db2.gz HBSBZEKASLNAOP-JSGCOSHPSA-N 1 0 241.325 3.861 20 0 BHADRO CC[C@@H](F)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502484416 529553867 /nfs/dbraw/zinc/55/38/67/529553867.db2.gz HBSBZEKASLNAOP-OCCSQVGLSA-N 1 0 241.325 3.861 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502484417 529553395 /nfs/dbraw/zinc/55/33/95/529553395.db2.gz HBSBZEKASLNAOP-TZMCWYRMSA-N 1 0 241.325 3.861 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502484575 527704912 /nfs/dbraw/zinc/70/49/12/527704912.db2.gz MNIFIVVNNZSABM-VXGBXAGGSA-N 1 0 249.345 3.563 20 0 BHADRO CC[C@H]1C[C@]1([NH2+]CCSC)c1cccc(C)c1 ZINC000502508113 529329464 /nfs/dbraw/zinc/32/94/64/529329464.db2.gz JXCUEIORFUWLKO-DZGCQCFKSA-N 1 0 249.423 3.573 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CCSC)c1cccc(C)c1 ZINC000502508114 529431654 /nfs/dbraw/zinc/43/16/54/529431654.db2.gz JXCUEIORFUWLKO-HIFRSBDPSA-N 1 0 249.423 3.573 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CCSC)c1cccc(C)c1 ZINC000502508115 529461893 /nfs/dbraw/zinc/46/18/93/529461893.db2.gz JXCUEIORFUWLKO-UKRRQHHQSA-N 1 0 249.423 3.573 20 0 BHADRO CC[C@H]1C[C@@]1([NH2+]CCSC)c1cccc(C)c1 ZINC000502508116 529321316 /nfs/dbraw/zinc/32/13/16/529321316.db2.gz JXCUEIORFUWLKO-ZFWWWQNUSA-N 1 0 249.423 3.573 20 0 BHADRO CC[C@H]1C[C@]1([NH2+]CCCF)c1cccc(C)c1 ZINC000502543500 529329678 /nfs/dbraw/zinc/32/96/78/529329678.db2.gz QDSIAHNOJUTMOR-DZGCQCFKSA-N 1 0 235.346 3.569 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CCCF)c1cccc(C)c1 ZINC000502543502 529431342 /nfs/dbraw/zinc/43/13/42/529431342.db2.gz QDSIAHNOJUTMOR-HIFRSBDPSA-N 1 0 235.346 3.569 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CCCF)c1cccc(C)c1 ZINC000502543503 529461948 /nfs/dbraw/zinc/46/19/48/529461948.db2.gz QDSIAHNOJUTMOR-UKRRQHHQSA-N 1 0 235.346 3.569 20 0 BHADRO CC[C@H]1C[C@@]1([NH2+]CCCF)c1cccc(C)c1 ZINC000502543505 529321496 /nfs/dbraw/zinc/32/14/96/529321496.db2.gz QDSIAHNOJUTMOR-ZFWWWQNUSA-N 1 0 235.346 3.569 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1cc(C)on1 ZINC000502552510 528781571 /nfs/dbraw/zinc/78/15/71/528781571.db2.gz QISGBFUDQWYSQI-CHWSQXEVSA-N 1 0 238.375 3.850 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1cc(C)on1 ZINC000502552860 528913844 /nfs/dbraw/zinc/91/38/44/528913844.db2.gz QISGBFUDQWYSQI-OLZOCXBDSA-N 1 0 238.375 3.850 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000502552861 528780887 /nfs/dbraw/zinc/78/08/87/528780887.db2.gz QISGBFUDQWYSQI-QWHCGFSZSA-N 1 0 238.375 3.850 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000502552862 528913970 /nfs/dbraw/zinc/91/39/70/528913970.db2.gz QISGBFUDQWYSQI-STQMWFEESA-N 1 0 238.375 3.850 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1 ZINC000502558359 529119926 /nfs/dbraw/zinc/11/99/26/529119926.db2.gz IPWMXJGPBUXAID-HNNXBMFYSA-N 1 0 235.346 3.913 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1 ZINC000502558360 528584765 /nfs/dbraw/zinc/58/47/65/528584765.db2.gz IPWMXJGPBUXAID-OAHLLOKOSA-N 1 0 235.346 3.913 20 0 BHADRO CCSCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000502565918 529178021 /nfs/dbraw/zinc/17/80/21/529178021.db2.gz OXDPXJBMMVOKDD-DOMZBBRYSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000502566019 529177891 /nfs/dbraw/zinc/17/78/91/529177891.db2.gz OXDPXJBMMVOKDD-IUODEOHRSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000502566020 529178243 /nfs/dbraw/zinc/17/82/43/529178243.db2.gz OXDPXJBMMVOKDD-SWLSCSKDSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000502566021 529178326 /nfs/dbraw/zinc/17/83/26/529178326.db2.gz OXDPXJBMMVOKDD-WFASDCNBSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000502566398 529178222 /nfs/dbraw/zinc/17/82/22/529178222.db2.gz RBFHWJUBHRTPLG-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000502566399 529178063 /nfs/dbraw/zinc/17/80/63/529178063.db2.gz RBFHWJUBHRTPLG-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CCCCC2)no1 ZINC000502583226 226330697 /nfs/dbraw/zinc/33/06/97/226330697.db2.gz XQISSBQAPFGZJT-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CCCCC2)no1 ZINC000502583227 226330725 /nfs/dbraw/zinc/33/07/25/226330725.db2.gz XQISSBQAPFGZJT-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000502586422 534128048 /nfs/dbraw/zinc/12/80/48/534128048.db2.gz FFSIRIMKQVVNRB-LLVKDONJSA-N 1 0 223.747 3.887 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502590902 527670711 /nfs/dbraw/zinc/67/07/11/527670711.db2.gz ILXBCZDJGJPCCI-GHMZBOCLSA-N 1 0 249.345 3.563 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(COC)CCC1 ZINC000502603497 528075692 /nfs/dbraw/zinc/07/56/92/528075692.db2.gz XFQXDEPSTCZFED-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(COC)CCC1 ZINC000502603498 528904812 /nfs/dbraw/zinc/90/48/12/528904812.db2.gz XFQXDEPSTCZFED-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(COC)CCC1 ZINC000502603499 528067645 /nfs/dbraw/zinc/06/76/45/528067645.db2.gz XFQXDEPSTCZFED-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(COC)CCC1 ZINC000502603500 528901183 /nfs/dbraw/zinc/90/11/83/528901183.db2.gz XFQXDEPSTCZFED-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Clc1cccc(CC[NH2+][C@H]2CCC23CCC3)c1 ZINC000502680527 226330702 /nfs/dbraw/zinc/33/07/02/226330702.db2.gz BCFFEIWIYMBBQP-AWEZNQCLSA-N 1 0 249.785 3.805 20 0 BHADRO Clc1cccc(CC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000502680528 226330695 /nfs/dbraw/zinc/33/06/95/226330695.db2.gz BCFFEIWIYMBBQP-CQSZACIVSA-N 1 0 249.785 3.805 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2cccs2)oc1C ZINC000502681465 226330727 /nfs/dbraw/zinc/33/07/27/226330727.db2.gz DICDAFVIOGJQGJ-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2cccs2)oc1C ZINC000502681466 226330517 /nfs/dbraw/zinc/33/05/17/226330517.db2.gz DICDAFVIOGJQGJ-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000502686957 527179023 /nfs/dbraw/zinc/17/90/23/527179023.db2.gz XBAIDOZROXEBQK-HNNXBMFYSA-N 1 0 243.394 3.887 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000502686958 527176901 /nfs/dbraw/zinc/17/69/01/527176901.db2.gz XBAIDOZROXEBQK-OAHLLOKOSA-N 1 0 243.394 3.887 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502688436 226330612 /nfs/dbraw/zinc/33/06/12/226330612.db2.gz ZEZSVWNCIJXUMT-DZGCQCFKSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502688437 226330605 /nfs/dbraw/zinc/33/06/05/226330605.db2.gz ZEZSVWNCIJXUMT-HIFRSBDPSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502688438 226330644 /nfs/dbraw/zinc/33/06/44/226330644.db2.gz ZEZSVWNCIJXUMT-UKRRQHHQSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502688439 226330627 /nfs/dbraw/zinc/33/06/27/226330627.db2.gz ZEZSVWNCIJXUMT-ZFWWWQNUSA-N 1 0 229.367 3.978 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000502700923 226330788 /nfs/dbraw/zinc/33/07/88/226330788.db2.gz YVDHVCYZVNGUDM-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000502700924 533678289 /nfs/dbraw/zinc/67/82/89/533678289.db2.gz YVDHVCYZVNGUDM-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000502700925 533677414 /nfs/dbraw/zinc/67/74/14/533677414.db2.gz YVDHVCYZVNGUDM-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000502700926 226330849 /nfs/dbraw/zinc/33/08/49/226330849.db2.gz YVDHVCYZVNGUDM-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000502708612 529431564 /nfs/dbraw/zinc/43/15/64/529431564.db2.gz QWXXPPIFZHRKTH-CVEARBPZSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000502708613 529545982 /nfs/dbraw/zinc/54/59/82/529545982.db2.gz QWXXPPIFZHRKTH-HOTGVXAUSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000502708614 529430974 /nfs/dbraw/zinc/43/09/74/529430974.db2.gz QWXXPPIFZHRKTH-HZPDHXFCSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000502708615 529545905 /nfs/dbraw/zinc/54/59/05/529545905.db2.gz QWXXPPIFZHRKTH-JKSUJKDBSA-N 1 0 243.394 3.930 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CCC23CCC3)c1 ZINC000502709981 226330979 /nfs/dbraw/zinc/33/09/79/226330979.db2.gz ZJEBBZMGUAOHNG-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000502709982 226330919 /nfs/dbraw/zinc/33/09/19/226330919.db2.gz ZJEBBZMGUAOHNG-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCOC)C(C)(C)C ZINC000502711502 529671036 /nfs/dbraw/zinc/67/10/36/529671036.db2.gz JHABKDOIRUOPAJ-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCOC)C(C)(C)C ZINC000502711503 529657657 /nfs/dbraw/zinc/65/76/57/529657657.db2.gz JHABKDOIRUOPAJ-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCOC)C(C)(C)C ZINC000502711504 529658450 /nfs/dbraw/zinc/65/84/50/529658450.db2.gz JHABKDOIRUOPAJ-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCOC)C(C)(C)C ZINC000502711505 529670578 /nfs/dbraw/zinc/67/05/78/529670578.db2.gz JHABKDOIRUOPAJ-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000502720319 226330953 /nfs/dbraw/zinc/33/09/53/226330953.db2.gz AURYSIIZXXRJES-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000502720320 226330884 /nfs/dbraw/zinc/33/08/84/226330884.db2.gz AURYSIIZXXRJES-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000502720321 226330859 /nfs/dbraw/zinc/33/08/59/226330859.db2.gz AURYSIIZXXRJES-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000502720322 226330959 /nfs/dbraw/zinc/33/09/59/226330959.db2.gz AURYSIIZXXRJES-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC12CCC2)c1cccs1 ZINC000502722525 527177330 /nfs/dbraw/zinc/17/73/30/527177330.db2.gz KUQZVIWMFUKOPY-GFCCVEGCSA-N 1 0 249.423 3.948 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC12CCC2)c1cccs1 ZINC000502722526 527179221 /nfs/dbraw/zinc/17/92/21/527179221.db2.gz KUQZVIWMFUKOPY-LBPRGKRZSA-N 1 0 249.423 3.948 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)oc1C ZINC000502723260 226330790 /nfs/dbraw/zinc/33/07/90/226330790.db2.gz QGMYWKCSDPJGAG-GXTWGEPZSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CC=CCC2)oc1C ZINC000502723261 226330971 /nfs/dbraw/zinc/33/09/71/226330971.db2.gz QGMYWKCSDPJGAG-JSGCOSHPSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)oc1C ZINC000502723262 226330861 /nfs/dbraw/zinc/33/08/61/226330861.db2.gz QGMYWKCSDPJGAG-OCCSQVGLSA-N 1 0 233.355 3.903 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)oc1C ZINC000502723263 226330967 /nfs/dbraw/zinc/33/09/67/226330967.db2.gz QGMYWKCSDPJGAG-TZMCWYRMSA-N 1 0 233.355 3.903 20 0 BHADRO Clc1ccccc1CC[NH2+][C@H]1CCC12CCC2 ZINC000502723507 534650955 /nfs/dbraw/zinc/65/09/55/534650955.db2.gz BWFVGRBCBSSSIE-AWEZNQCLSA-N 1 0 249.785 3.805 20 0 BHADRO Clc1ccccc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000502723510 534650918 /nfs/dbraw/zinc/65/09/18/534650918.db2.gz BWFVGRBCBSSSIE-CQSZACIVSA-N 1 0 249.785 3.805 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC(C)C ZINC000502725630 226330897 /nfs/dbraw/zinc/33/08/97/226330897.db2.gz YDNPQNWMOLNOQS-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC(C)C ZINC000502725631 226330887 /nfs/dbraw/zinc/33/08/87/226330887.db2.gz YDNPQNWMOLNOQS-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC(C)C ZINC000502725632 226330945 /nfs/dbraw/zinc/33/09/45/226330945.db2.gz YDNPQNWMOLNOQS-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC(C)C ZINC000502725633 226330864 /nfs/dbraw/zinc/33/08/64/226330864.db2.gz YDNPQNWMOLNOQS-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502726211 534484941 /nfs/dbraw/zinc/48/49/41/534484941.db2.gz WLAHAPMZSAEJDK-HNNXBMFYSA-N 1 0 229.367 3.542 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502726213 534485123 /nfs/dbraw/zinc/48/51/23/534485123.db2.gz WLAHAPMZSAEJDK-OAHLLOKOSA-N 1 0 229.367 3.542 20 0 BHADRO Clc1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000502726811 226330762 /nfs/dbraw/zinc/33/07/62/226330762.db2.gz YKRGPDAOBAXLPP-AWEZNQCLSA-N 1 0 249.785 3.805 20 0 BHADRO Clc1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000502726812 226330958 /nfs/dbraw/zinc/33/09/58/226330958.db2.gz YKRGPDAOBAXLPP-CQSZACIVSA-N 1 0 249.785 3.805 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC23CCC3)c(C)c1 ZINC000502728856 533809719 /nfs/dbraw/zinc/80/97/19/533809719.db2.gz UIMHFULZGRWFKU-INIZCTEOSA-N 1 0 243.394 3.768 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC23CCC3)c(C)c1 ZINC000502728857 533806262 /nfs/dbraw/zinc/80/62/62/533806262.db2.gz UIMHFULZGRWFKU-MRXNPFEDSA-N 1 0 243.394 3.768 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000502729013 528216147 /nfs/dbraw/zinc/21/61/47/528216147.db2.gz VATJHPWBMNMQGA-CYBMUJFWSA-N 1 0 249.402 3.839 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000502729014 528215731 /nfs/dbraw/zinc/21/57/31/528215731.db2.gz VATJHPWBMNMQGA-ZDUSSCGKSA-N 1 0 249.402 3.839 20 0 BHADRO CC[N@H+](CCC1CCCCC1)Cc1ccncc1 ZINC000502755473 528429120 /nfs/dbraw/zinc/42/91/20/528429120.db2.gz HVSYIXBPDZOJIL-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO Cc1ccccc1CN1CCCC[C@@H]1C(F)F ZINC000502776674 226330972 /nfs/dbraw/zinc/33/09/72/226330972.db2.gz TWNIODMSVNIJIR-CYBMUJFWSA-N 1 0 239.309 3.615 20 0 BHADRO Cc1ccccc1CN1CCCC[C@H]1C(F)F ZINC000502776675 226330732 /nfs/dbraw/zinc/33/07/32/226330732.db2.gz TWNIODMSVNIJIR-ZDUSSCGKSA-N 1 0 239.309 3.615 20 0 BHADRO FC(F)[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000502786795 226330894 /nfs/dbraw/zinc/33/08/94/226330894.db2.gz CLKUZVTWTVNXJV-GFCCVEGCSA-N 1 0 231.330 3.686 20 0 BHADRO FC(F)[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000502786796 226330778 /nfs/dbraw/zinc/33/07/78/226330778.db2.gz CLKUZVTWTVNXJV-LBPRGKRZSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCCOC(C)(C)C ZINC000502835879 529229427 /nfs/dbraw/zinc/22/94/27/529229427.db2.gz JGECKDJVNWNOOC-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCOC(C)(C)C ZINC000502835880 529311609 /nfs/dbraw/zinc/31/16/09/529311609.db2.gz JGECKDJVNWNOOC-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000502835881 529234911 /nfs/dbraw/zinc/23/49/11/529234911.db2.gz JGECKDJVNWNOOC-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000502835882 529321941 /nfs/dbraw/zinc/32/19/41/529321941.db2.gz JGECKDJVNWNOOC-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C[NH2+]Cc1ccoc1C)c1ccccc1 ZINC000502983294 529490667 /nfs/dbraw/zinc/49/06/67/529490667.db2.gz AXHWFINUOJMGNR-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccoc1C)c1ccccc1 ZINC000502983295 529362486 /nfs/dbraw/zinc/36/24/86/529362486.db2.gz AXHWFINUOJMGNR-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]CCC2CCCC2)cc1 ZINC000502986376 226331366 /nfs/dbraw/zinc/33/13/66/226331366.db2.gz GQJBJTWFNUBDIR-DLBZAZTESA-N 1 0 243.394 3.960 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]CCC2CCCC2)cc1 ZINC000502986378 226331332 /nfs/dbraw/zinc/33/13/32/226331332.db2.gz GQJBJTWFNUBDIR-IAGOWNOFSA-N 1 0 243.394 3.960 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]CCC2CCCC2)cc1 ZINC000502986379 226331378 /nfs/dbraw/zinc/33/13/78/226331378.db2.gz GQJBJTWFNUBDIR-IRXDYDNUSA-N 1 0 243.394 3.960 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]CCC2CCCC2)cc1 ZINC000502986381 226331322 /nfs/dbraw/zinc/33/13/22/226331322.db2.gz GQJBJTWFNUBDIR-SJORKVTESA-N 1 0 243.394 3.960 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000502989575 527991264 /nfs/dbraw/zinc/99/12/64/527991264.db2.gz OFLUNQMYFTXWIT-CABCVRRESA-N 1 0 231.383 3.958 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000502989578 527991001 /nfs/dbraw/zinc/99/10/01/527991001.db2.gz OFLUNQMYFTXWIT-HUUCEWRRSA-N 1 0 231.383 3.958 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000502989579 527992098 /nfs/dbraw/zinc/99/20/98/527992098.db2.gz OFLUNQMYFTXWIT-LSDHHAIUSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000502998542 529241974 /nfs/dbraw/zinc/24/19/74/529241974.db2.gz SWFWOXLUCWDQCT-DARAHFNDSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000502998543 529241981 /nfs/dbraw/zinc/24/19/81/529241981.db2.gz SWFWOXLUCWDQCT-SDADXPQNSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000502998544 529241989 /nfs/dbraw/zinc/24/19/89/529241989.db2.gz SWFWOXLUCWDQCT-UGQVUOCMSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000502998545 529242020 /nfs/dbraw/zinc/24/20/20/529242020.db2.gz SWFWOXLUCWDQCT-WMHQRMGPSA-N 1 0 231.383 3.814 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503000367 528105165 /nfs/dbraw/zinc/10/51/65/528105165.db2.gz ZKBYMJFWKOZZKG-HRCADAONSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503000368 528104672 /nfs/dbraw/zinc/10/46/72/528104672.db2.gz ZKBYMJFWKOZZKG-JYJNAYRXSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503000369 528105059 /nfs/dbraw/zinc/10/50/59/528105059.db2.gz ZKBYMJFWKOZZKG-OWCLPIDISA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503000370 528104557 /nfs/dbraw/zinc/10/45/57/528104557.db2.gz ZKBYMJFWKOZZKG-PMPSAXMXSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000503002212 533765181 /nfs/dbraw/zinc/76/51/81/533765181.db2.gz CHVJBMMHZNJEMM-DZUCGIPZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000503002213 533765686 /nfs/dbraw/zinc/76/56/86/533765686.db2.gz CHVJBMMHZNJEMM-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503002214 533765103 /nfs/dbraw/zinc/76/51/03/533765103.db2.gz CHVJBMMHZNJEMM-MWQQHZPXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503002215 533765648 /nfs/dbraw/zinc/76/56/48/533765648.db2.gz CHVJBMMHZNJEMM-QSPRXWTASA-N 1 0 243.394 3.958 20 0 BHADRO CCc1cccc2c(CC[NH2+]CC(C)C)c[nH]c21 ZINC000503007854 529554011 /nfs/dbraw/zinc/55/40/11/529554011.db2.gz AUEMTMIKJBSECE-UHFFFAOYSA-N 1 0 244.382 3.518 20 0 BHADRO Cc1cc[nH+]c(NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000503009494 226331328 /nfs/dbraw/zinc/33/13/28/226331328.db2.gz FFRMGXZPQMBVFO-CABCVRRESA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cc[nH+]c(NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000503009495 226331396 /nfs/dbraw/zinc/33/13/96/226331396.db2.gz FFRMGXZPQMBVFO-HUUCEWRRSA-N 1 0 238.334 3.606 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000503009496 226331446 /nfs/dbraw/zinc/33/14/46/226331446.db2.gz FFRMGXZPQMBVFO-LSDHHAIUSA-N 1 0 238.334 3.606 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2CCCC2)cc1 ZINC000503009875 226331399 /nfs/dbraw/zinc/33/13/99/226331399.db2.gz GZBOKWGTQHEAHS-CVEARBPZSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]CC2CCCC2)cc1 ZINC000503009876 226331304 /nfs/dbraw/zinc/33/13/04/226331304.db2.gz GZBOKWGTQHEAHS-HZPDHXFCSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]CC2CCCC2)cc1 ZINC000503009877 226331477 /nfs/dbraw/zinc/33/14/77/226331477.db2.gz GZBOKWGTQHEAHS-JKSUJKDBSA-N 1 0 229.367 3.570 20 0 BHADRO Cc1cc([C@@H]([NH2+]CC(C)C)C2CC2)ccc1F ZINC000503010267 226331401 /nfs/dbraw/zinc/33/14/01/226331401.db2.gz HQMDKSYJIXXOMY-HNNXBMFYSA-N 1 0 235.346 3.831 20 0 BHADRO Cc1cc([C@H]([NH2+]CC(C)C)C2CC2)ccc1F ZINC000503010280 226331325 /nfs/dbraw/zinc/33/13/25/226331325.db2.gz HQMDKSYJIXXOMY-OAHLLOKOSA-N 1 0 235.346 3.831 20 0 BHADRO CC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000503010457 527980800 /nfs/dbraw/zinc/98/08/00/527980800.db2.gz IVZXIPBSDKKHEP-CVEARBPZSA-N 1 0 243.394 3.960 20 0 BHADRO CC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000503010458 527980971 /nfs/dbraw/zinc/98/09/71/527980971.db2.gz IVZXIPBSDKKHEP-HOTGVXAUSA-N 1 0 243.394 3.960 20 0 BHADRO CC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000503010459 527981297 /nfs/dbraw/zinc/98/12/97/527981297.db2.gz IVZXIPBSDKKHEP-HZPDHXFCSA-N 1 0 243.394 3.960 20 0 BHADRO CC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000503010460 527981011 /nfs/dbraw/zinc/98/10/11/527981011.db2.gz IVZXIPBSDKKHEP-JKSUJKDBSA-N 1 0 243.394 3.960 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503012749 529311887 /nfs/dbraw/zinc/31/18/87/529311887.db2.gz DKWGPTKDBOCVCM-DZUCGIPZSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503012750 529311959 /nfs/dbraw/zinc/31/19/59/529311959.db2.gz DKWGPTKDBOCVCM-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503012751 529311625 /nfs/dbraw/zinc/31/16/25/529311625.db2.gz DKWGPTKDBOCVCM-SIXLDLHFSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503012752 529311926 /nfs/dbraw/zinc/31/19/26/529311926.db2.gz DKWGPTKDBOCVCM-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000503015424 528064710 /nfs/dbraw/zinc/06/47/10/528064710.db2.gz JVUNGSCEMGZROB-UHFFFAOYSA-N 1 0 239.309 3.590 20 0 BHADRO CCC1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000503017371 527800657 /nfs/dbraw/zinc/80/06/57/527800657.db2.gz NRHJHCFJGGPWPE-CABCVRRESA-N 1 0 229.367 3.712 20 0 BHADRO CCC1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000503017372 527801314 /nfs/dbraw/zinc/80/13/14/527801314.db2.gz NRHJHCFJGGPWPE-HUUCEWRRSA-N 1 0 229.367 3.712 20 0 BHADRO CCC1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000503017373 527800852 /nfs/dbraw/zinc/80/08/52/527800852.db2.gz NRHJHCFJGGPWPE-LSDHHAIUSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503018119 528949266 /nfs/dbraw/zinc/94/92/66/528949266.db2.gz BECWIQSXUGEEMB-BMFZPTHFSA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503018121 528949085 /nfs/dbraw/zinc/94/90/85/528949085.db2.gz BECWIQSXUGEEMB-FVQBIDKESA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503018123 528949841 /nfs/dbraw/zinc/94/98/41/528949841.db2.gz BECWIQSXUGEEMB-KBMXLJTQSA-N 1 0 231.383 3.672 20 0 BHADRO CC(C)[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503018125 528949578 /nfs/dbraw/zinc/94/95/78/528949578.db2.gz BECWIQSXUGEEMB-VNQPRFMTSA-N 1 0 231.383 3.672 20 0 BHADRO CC1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000503023816 528031966 /nfs/dbraw/zinc/03/19/66/528031966.db2.gz MCRCAMBXDMKOFL-CABCVRRESA-N 1 0 229.367 3.712 20 0 BHADRO CC1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000503023817 528032582 /nfs/dbraw/zinc/03/25/82/528032582.db2.gz MCRCAMBXDMKOFL-HUUCEWRRSA-N 1 0 229.367 3.712 20 0 BHADRO CC1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000503023818 528032510 /nfs/dbraw/zinc/03/25/10/528032510.db2.gz MCRCAMBXDMKOFL-LSDHHAIUSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503026763 533767892 /nfs/dbraw/zinc/76/78/92/533767892.db2.gz UHBGTLZIXIVWSZ-WQVCFCJDSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000503040431 529615814 /nfs/dbraw/zinc/61/58/14/529615814.db2.gz AKFRHSMDBIUATE-JYJNAYRXSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000503040456 529369729 /nfs/dbraw/zinc/36/97/29/529369729.db2.gz ARLLWJLQZKRQNB-BPLDGKMQSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000503040457 529371225 /nfs/dbraw/zinc/37/12/25/529371225.db2.gz ARLLWJLQZKRQNB-SNPRPXQTSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000503040458 529371381 /nfs/dbraw/zinc/37/13/81/529371381.db2.gz ARLLWJLQZKRQNB-VHDGCEQUSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000503040459 529369400 /nfs/dbraw/zinc/36/94/00/529369400.db2.gz ARLLWJLQZKRQNB-YUELXQCFSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503041582 226331415 /nfs/dbraw/zinc/33/14/15/226331415.db2.gz LXUZWGBDSSNXSL-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503041583 533616388 /nfs/dbraw/zinc/61/63/88/533616388.db2.gz LXUZWGBDSSNXSL-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503041584 226331579 /nfs/dbraw/zinc/33/15/79/226331579.db2.gz LXUZWGBDSSNXSL-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503041585 226331668 /nfs/dbraw/zinc/33/16/68/226331668.db2.gz LXUZWGBDSSNXSL-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503043762 528615252 /nfs/dbraw/zinc/61/52/52/528615252.db2.gz HOZZZUNAXBCDKV-CABCVRRESA-N 1 0 231.383 3.958 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503043763 528614736 /nfs/dbraw/zinc/61/47/36/528614736.db2.gz HOZZZUNAXBCDKV-HUUCEWRRSA-N 1 0 231.383 3.958 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503043764 528615562 /nfs/dbraw/zinc/61/55/62/528615562.db2.gz HOZZZUNAXBCDKV-LSDHHAIUSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503045434 527671170 /nfs/dbraw/zinc/67/11/70/527671170.db2.gz OXZPQRLYKZPTHM-CABCVRRESA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503045436 527669671 /nfs/dbraw/zinc/66/96/71/527669671.db2.gz OXZPQRLYKZPTHM-GJZGRUSLSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503045437 527670433 /nfs/dbraw/zinc/67/04/33/527670433.db2.gz OXZPQRLYKZPTHM-HUUCEWRRSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503045439 527669715 /nfs/dbraw/zinc/66/97/15/527669715.db2.gz OXZPQRLYKZPTHM-LSDHHAIUSA-N 1 0 231.383 3.816 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000503046498 529029045 /nfs/dbraw/zinc/02/90/45/529029045.db2.gz ZZJUVHRQGTYTHG-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000503046499 529048130 /nfs/dbraw/zinc/04/81/30/529048130.db2.gz ZZJUVHRQGTYTHG-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000503048315 226331656 /nfs/dbraw/zinc/33/16/56/226331656.db2.gz PWOKQMGKLKXOSJ-CVEARBPZSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000503048316 226331565 /nfs/dbraw/zinc/33/15/65/226331565.db2.gz PWOKQMGKLKXOSJ-HZPDHXFCSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000503048317 226331490 /nfs/dbraw/zinc/33/14/90/226331490.db2.gz PWOKQMGKLKXOSJ-JKSUJKDBSA-N 1 0 241.378 3.568 20 0 BHADRO Cc1[nH]c2c(cc(C)cc2C[NH2+]CC(C)C)c1C ZINC000503048327 226331687 /nfs/dbraw/zinc/33/16/87/226331687.db2.gz PZGXKEOCUZKCDY-UHFFFAOYSA-N 1 0 244.382 3.839 20 0 BHADRO CC(C)C1CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000503048615 527625267 /nfs/dbraw/zinc/62/52/67/527625267.db2.gz PVVYGPFWXPVBBQ-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503067033 528104505 /nfs/dbraw/zinc/10/45/05/528104505.db2.gz ZOFWIRUDTGXVBU-AWEZNQCLSA-N 1 0 244.382 3.879 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503067034 528923274 /nfs/dbraw/zinc/92/32/74/528923274.db2.gz ZOFWIRUDTGXVBU-CQSZACIVSA-N 1 0 244.382 3.879 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503069172 528763418 /nfs/dbraw/zinc/76/34/18/528763418.db2.gz ALCPALABBRSVQT-CYBMUJFWSA-N 1 0 244.382 3.879 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503069173 528893264 /nfs/dbraw/zinc/89/32/64/528893264.db2.gz ALCPALABBRSVQT-ZDUSSCGKSA-N 1 0 244.382 3.879 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503073728 533825088 /nfs/dbraw/zinc/82/50/88/533825088.db2.gz LMBKZKBKQFRAFI-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503073729 226331626 /nfs/dbraw/zinc/33/16/26/226331626.db2.gz LMBKZKBKQFRAFI-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CCc1cccc2[nH]ccc21)C(C)C ZINC000503079416 529607611 /nfs/dbraw/zinc/60/76/11/529607611.db2.gz VNVYILOUJLAWFT-HNNXBMFYSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)C(C)C ZINC000503079417 529170255 /nfs/dbraw/zinc/17/02/55/529170255.db2.gz VNVYILOUJLAWFT-OAHLLOKOSA-N 1 0 244.382 3.735 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503085502 528993290 /nfs/dbraw/zinc/99/32/90/528993290.db2.gz GZIQPGOSFVAVTE-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503085503 528971342 /nfs/dbraw/zinc/97/13/42/528971342.db2.gz GZIQPGOSFVAVTE-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(CC)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000503117711 528751348 /nfs/dbraw/zinc/75/13/48/528751348.db2.gz IHBFMNGURZYABH-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CCC(CC)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000503117713 528752057 /nfs/dbraw/zinc/75/20/57/528752057.db2.gz IHBFMNGURZYABH-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503119381 529393728 /nfs/dbraw/zinc/39/37/28/529393728.db2.gz LUASMJNAURHNIH-CHWSQXEVSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503119383 529413693 /nfs/dbraw/zinc/41/36/93/529413693.db2.gz LUASMJNAURHNIH-OLZOCXBDSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503119384 529206461 /nfs/dbraw/zinc/20/64/61/529206461.db2.gz LUASMJNAURHNIH-QWHCGFSZSA-N 1 0 244.382 3.735 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503119934 529241958 /nfs/dbraw/zinc/24/19/58/529241958.db2.gz LUASMJNAURHNIH-STQMWFEESA-N 1 0 244.382 3.735 20 0 BHADRO CC(C)CCC[NH2+]CCc1cccc2[nH]ccc21 ZINC000503121272 527704953 /nfs/dbraw/zinc/70/49/53/527704953.db2.gz NWLVKUUOQONSLN-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1cccc2[nH]ccc21 ZINC000503123213 527669409 /nfs/dbraw/zinc/66/94/09/527669409.db2.gz RKTADGXHDNKQFQ-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000503165501 529345018 /nfs/dbraw/zinc/34/50/18/529345018.db2.gz CDSPMYDYIQORNY-GFCCVEGCSA-N 1 0 244.338 3.572 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000503165517 529691228 /nfs/dbraw/zinc/69/12/28/529691228.db2.gz CDSPMYDYIQORNY-LBPRGKRZSA-N 1 0 244.338 3.572 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000503245185 534518493 /nfs/dbraw/zinc/51/84/93/534518493.db2.gz KNKDULPLJHHRQS-GDBMZVCRSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000503245186 534516937 /nfs/dbraw/zinc/51/69/37/534516937.db2.gz KNKDULPLJHHRQS-GOEBONIOSA-N 1 0 247.357 3.980 20 0 BHADRO CC[C@@H](C[NH2+]CCc1ccco1)c1ccccc1 ZINC000503245989 529489637 /nfs/dbraw/zinc/48/96/37/529489637.db2.gz MHXLCPYPGWDLTE-AWEZNQCLSA-N 1 0 243.350 3.606 20 0 BHADRO CC[C@H](C[NH2+]CCc1ccco1)c1ccccc1 ZINC000503246000 529361130 /nfs/dbraw/zinc/36/11/30/529361130.db2.gz MHXLCPYPGWDLTE-CQSZACIVSA-N 1 0 243.350 3.606 20 0 BHADRO CC[C@H]1C[C@@H](C[NH2+]C(CC)(CC)CC)CCO1 ZINC000503552132 529317830 /nfs/dbraw/zinc/31/78/30/529317830.db2.gz QNTDITXGHZVDOP-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1C[C@H](C[NH2+]C(CC)(CC)CC)CCO1 ZINC000503552137 529327056 /nfs/dbraw/zinc/32/70/56/529327056.db2.gz QNTDITXGHZVDOP-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+]C(CC)(CC)CC)CCO1 ZINC000503552139 529426039 /nfs/dbraw/zinc/42/60/39/529426039.db2.gz QNTDITXGHZVDOP-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+]C(CC)(CC)CC)CCO1 ZINC000503552141 529442012 /nfs/dbraw/zinc/44/20/12/529442012.db2.gz QNTDITXGHZVDOP-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503575444 528553242 /nfs/dbraw/zinc/55/32/42/528553242.db2.gz DVAPCHXRVKTBJA-UHFFFAOYSA-N 1 0 245.322 3.962 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503576326 528065145 /nfs/dbraw/zinc/06/51/45/528065145.db2.gz OBONIPFDLPDETG-UHFFFAOYSA-N 1 0 245.322 3.818 20 0 BHADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC ZINC000503583787 529183167 /nfs/dbraw/zinc/18/31/67/529183167.db2.gz WOTQLVQAUQLTCA-CABCVRRESA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC ZINC000503583788 529257620 /nfs/dbraw/zinc/25/76/20/529257620.db2.gz WOTQLVQAUQLTCA-GJZGRUSLSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC ZINC000503583789 529183758 /nfs/dbraw/zinc/18/37/58/529183758.db2.gz WOTQLVQAUQLTCA-HUUCEWRRSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC ZINC000503583790 529257474 /nfs/dbraw/zinc/25/74/74/529257474.db2.gz WOTQLVQAUQLTCA-LSDHHAIUSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1C[C@@H](C[NH2+]C2(C)CCCCC2)CCO1 ZINC000503585761 529317758 /nfs/dbraw/zinc/31/77/58/529317758.db2.gz GAEDNPRGLMHNRG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1C[C@H](C[NH2+]C2(C)CCCCC2)CCO1 ZINC000503585762 529326975 /nfs/dbraw/zinc/32/69/75/529326975.db2.gz GAEDNPRGLMHNRG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+]C2(C)CCCCC2)CCO1 ZINC000503585763 529426276 /nfs/dbraw/zinc/42/62/76/529426276.db2.gz GAEDNPRGLMHNRG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+]C2(C)CCCCC2)CCO1 ZINC000503585764 529442088 /nfs/dbraw/zinc/44/20/88/529442088.db2.gz GAEDNPRGLMHNRG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503585976 529374453 /nfs/dbraw/zinc/37/44/53/529374453.db2.gz HBVPQIUEDPJDML-GFCCVEGCSA-N 1 0 245.322 3.960 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503585977 529180532 /nfs/dbraw/zinc/18/05/32/529180532.db2.gz HBVPQIUEDPJDML-LBPRGKRZSA-N 1 0 245.322 3.960 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503586296 526333110 /nfs/dbraw/zinc/33/31/10/526333110.db2.gz KFKQZRYDAJAQBM-UHFFFAOYSA-N 1 0 245.322 3.960 20 0 BHADRO CC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000503604850 528923469 /nfs/dbraw/zinc/92/34/69/528923469.db2.gz ONLZPPNWXVDASZ-JTQLQIEISA-N 1 0 223.747 3.885 20 0 BHADRO CC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000503604851 528924886 /nfs/dbraw/zinc/92/48/86/528924886.db2.gz ONLZPPNWXVDASZ-SNVBAGLBSA-N 1 0 223.747 3.885 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000503614243 527711064 /nfs/dbraw/zinc/71/10/64/527711064.db2.gz JURMJEQVDREXBW-UHFFFAOYSA-N 1 0 243.753 3.957 20 0 BHADRO CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000503619191 528760475 /nfs/dbraw/zinc/76/04/75/528760475.db2.gz WXSFRCWAYRPWFN-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000503633848 528359961 /nfs/dbraw/zinc/35/99/61/528359961.db2.gz FWFFFPSJTNRBOC-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(Cl)cc1F ZINC000503639010 527915250 /nfs/dbraw/zinc/91/52/50/527915250.db2.gz CYBIYQBZWVIDMC-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO CC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000503640309 527847893 /nfs/dbraw/zinc/84/78/93/527847893.db2.gz YKALZKHSKQBMEO-UHFFFAOYSA-N 1 0 225.335 3.805 20 0 BHADRO Fc1ccccc1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000503692259 534533946 /nfs/dbraw/zinc/53/39/46/534533946.db2.gz KKZIKJFWPWMXKY-AWEZNQCLSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1ccccc1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000503692260 534532457 /nfs/dbraw/zinc/53/24/57/534532457.db2.gz KKZIKJFWPWMXKY-CQSZACIVSA-N 1 0 247.357 3.805 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503702958 527430842 /nfs/dbraw/zinc/43/08/42/527430842.db2.gz RVCAHLDFMUYNRU-CYBMUJFWSA-N 1 0 233.330 3.581 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503702959 527430564 /nfs/dbraw/zinc/43/05/64/527430564.db2.gz RVCAHLDFMUYNRU-ZDUSSCGKSA-N 1 0 233.330 3.581 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503854322 528267428 /nfs/dbraw/zinc/26/74/28/528267428.db2.gz AGYDUYQGGYXNIX-IJLUTSLNSA-N 1 0 249.345 3.561 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503854323 528475322 /nfs/dbraw/zinc/47/53/22/528475322.db2.gz AGYDUYQGGYXNIX-QJPTWQEYSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503854386 529322048 /nfs/dbraw/zinc/32/20/48/529322048.db2.gz AYGXQTKASXTJPF-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503854387 529311702 /nfs/dbraw/zinc/31/17/02/529311702.db2.gz AYGXQTKASXTJPF-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503854388 529234767 /nfs/dbraw/zinc/23/47/67/529234767.db2.gz AYGXQTKASXTJPF-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000503854389 529229484 /nfs/dbraw/zinc/22/94/84/529229484.db2.gz AYGXQTKASXTJPF-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)c1cc(C)on1 ZINC000503855023 528794598 /nfs/dbraw/zinc/79/45/98/528794598.db2.gz JBUFUURMICCGJF-CHWSQXEVSA-N 1 0 238.375 3.993 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)c1cc(C)on1 ZINC000503855024 528927248 /nfs/dbraw/zinc/92/72/48/528927248.db2.gz JBUFUURMICCGJF-OLZOCXBDSA-N 1 0 238.375 3.993 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1cc(C)on1 ZINC000503855025 528794618 /nfs/dbraw/zinc/79/46/18/528794618.db2.gz JBUFUURMICCGJF-QWHCGFSZSA-N 1 0 238.375 3.993 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)c1cc(C)on1 ZINC000503855026 528927215 /nfs/dbraw/zinc/92/72/15/528927215.db2.gz JBUFUURMICCGJF-STQMWFEESA-N 1 0 238.375 3.993 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)C(C)(C)C ZINC000503862671 226336007 /nfs/dbraw/zinc/33/60/07/226336007.db2.gz YNEWTWHKENKSLZ-GFCCVEGCSA-N 1 0 244.382 3.735 20 0 BHADRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)C(C)(C)C ZINC000503862673 533873616 /nfs/dbraw/zinc/87/36/16/533873616.db2.gz YNEWTWHKENKSLZ-LBPRGKRZSA-N 1 0 244.382 3.735 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503863225 528924065 /nfs/dbraw/zinc/92/40/65/528924065.db2.gz ZICFDQSCLNPDIR-IJLUTSLNSA-N 1 0 249.345 3.705 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503863226 528107022 /nfs/dbraw/zinc/10/70/22/528107022.db2.gz ZICFDQSCLNPDIR-QJPTWQEYSA-N 1 0 249.345 3.705 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868820 529393854 /nfs/dbraw/zinc/39/38/54/529393854.db2.gz BSYSADLPLCJVHA-DDHJBXDOSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868821 529207128 /nfs/dbraw/zinc/20/71/28/529207128.db2.gz BSYSADLPLCJVHA-IRCOFANPSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868822 529242503 /nfs/dbraw/zinc/24/25/03/529242503.db2.gz BSYSADLPLCJVHA-NNYUYHANSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868823 529413708 /nfs/dbraw/zinc/41/37/08/529413708.db2.gz BSYSADLPLCJVHA-WRWGMCAJSA-N 1 0 249.345 3.561 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503878836 528783009 /nfs/dbraw/zinc/78/30/09/528783009.db2.gz ZIXDCUYXECYVFV-IJLUTSLNSA-N 1 0 249.345 3.705 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503878842 528915511 /nfs/dbraw/zinc/91/55/11/528915511.db2.gz ZIXDCUYXECYVFV-QJPTWQEYSA-N 1 0 249.345 3.705 20 0 BHADRO CCc1cc(OC)ccc1C[N@@H+](CC)C1CCC1 ZINC000503884303 529567186 /nfs/dbraw/zinc/56/71/86/529567186.db2.gz HGIPLXDLEUEEPX-UHFFFAOYSA-N 1 0 247.382 3.632 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CCCCC2)no1 ZINC000503885684 226336648 /nfs/dbraw/zinc/33/66/48/226336648.db2.gz LZEKWHWAANTELE-NEPJUHHUSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)no1 ZINC000503885685 226336756 /nfs/dbraw/zinc/33/67/56/226336756.db2.gz LZEKWHWAANTELE-NWDGAFQWSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)no1 ZINC000503885686 226336708 /nfs/dbraw/zinc/33/67/08/226336708.db2.gz LZEKWHWAANTELE-RYUDHWBXSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)no1 ZINC000503885689 226336658 /nfs/dbraw/zinc/33/66/58/226336658.db2.gz LZEKWHWAANTELE-VXGBXAGGSA-N 1 0 236.359 3.602 20 0 BHADRO CCc1cc(OC)ccc1C[N@H+](C)C1CCCC1 ZINC000503892685 529566904 /nfs/dbraw/zinc/56/69/04/529566904.db2.gz MRQQRHVLKAAZQH-UHFFFAOYSA-N 1 0 247.382 3.632 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)on2)C1 ZINC000503895494 529305092 /nfs/dbraw/zinc/30/50/92/529305092.db2.gz WJQJBSPVSBEMOE-JHJVBQTASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(C)on2)C1 ZINC000503895495 529315993 /nfs/dbraw/zinc/31/59/93/529315993.db2.gz WJQJBSPVSBEMOE-UPJWGTAASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)on2)C1 ZINC000503895496 529315970 /nfs/dbraw/zinc/31/59/70/529315970.db2.gz WJQJBSPVSBEMOE-XQQFMLRXSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)on2)C1 ZINC000503895497 529305111 /nfs/dbraw/zinc/30/51/11/529305111.db2.gz WJQJBSPVSBEMOE-YNEHKIRRSA-N 1 0 236.359 3.602 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000503909509 226336819 /nfs/dbraw/zinc/33/68/19/226336819.db2.gz JKGOGZCWHDGUNJ-CLWVCHIJSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000503909510 226336849 /nfs/dbraw/zinc/33/68/49/226336849.db2.gz JKGOGZCWHDGUNJ-SDADXPQNSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000503909512 226336785 /nfs/dbraw/zinc/33/67/85/226336785.db2.gz JKGOGZCWHDGUNJ-UGQVUOCMSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000503909514 226336848 /nfs/dbraw/zinc/33/68/48/226336848.db2.gz JKGOGZCWHDGUNJ-VRKREXBASA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@@H](C)C1CCCCC1 ZINC000503913164 533327492 /nfs/dbraw/zinc/32/74/92/533327492.db2.gz UNBNHRAXNZCRDH-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]C1(C(F)F)CC1)[C@@H](C)C1CCCCC1 ZINC000503913165 533788095 /nfs/dbraw/zinc/78/80/95/533788095.db2.gz UNBNHRAXNZCRDH-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]C1(C(F)F)CC1)C1CCCCC1 ZINC000503913166 534036992 /nfs/dbraw/zinc/03/69/92/534036992.db2.gz UNBNHRAXNZCRDH-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@H](C)C1CCCCC1 ZINC000503913167 533328687 /nfs/dbraw/zinc/32/86/87/533328687.db2.gz UNBNHRAXNZCRDH-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503924327 362944240 /nfs/dbraw/zinc/94/42/40/362944240.db2.gz IDIHKCQOKBXWKG-IJLUTSLNSA-N 1 0 249.345 3.561 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503924329 362944454 /nfs/dbraw/zinc/94/44/54/362944454.db2.gz IDIHKCQOKBXWKG-QJPTWQEYSA-N 1 0 249.345 3.561 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503947439 527999950 /nfs/dbraw/zinc/99/99/50/527999950.db2.gz LNRKXESBHAHUBL-VXGBXAGGSA-N 1 0 249.345 3.705 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503947840 528764592 /nfs/dbraw/zinc/76/45/92/528764592.db2.gz NRNUSZMIRIYKJO-IJLUTSLNSA-N 1 0 249.345 3.705 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503947841 528895065 /nfs/dbraw/zinc/89/50/65/528895065.db2.gz NRNUSZMIRIYKJO-QJPTWQEYSA-N 1 0 249.345 3.705 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CCCC(C)C)no1 ZINC000503947849 226337123 /nfs/dbraw/zinc/33/71/23/226337123.db2.gz NSLZMYYEZHWRJS-AAEUAGOBSA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCCC(C)C)no1 ZINC000503947851 226337012 /nfs/dbraw/zinc/33/70/12/226337012.db2.gz NSLZMYYEZHWRJS-DGCLKSJQSA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)no1 ZINC000503947852 226337171 /nfs/dbraw/zinc/33/71/71/226337171.db2.gz NSLZMYYEZHWRJS-WCQYABFASA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CCCC(C)C)no1 ZINC000503947853 226336904 /nfs/dbraw/zinc/33/69/04/226336904.db2.gz NSLZMYYEZHWRJS-YPMHNXCESA-N 1 0 238.375 3.848 20 0 BHADRO CC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000503951139 527864313 /nfs/dbraw/zinc/86/43/13/527864313.db2.gz DTBGMLNLVWISPG-SECBINFHSA-N 1 0 231.261 3.718 20 0 BHADRO CC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000503951145 527861639 /nfs/dbraw/zinc/86/16/39/527861639.db2.gz DTBGMLNLVWISPG-VIFPVBQESA-N 1 0 231.261 3.718 20 0 BHADRO CC[N@H+](CCOC)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000503951984 528564551 /nfs/dbraw/zinc/56/45/51/528564551.db2.gz HEJKMQAIDOMMNE-AWEZNQCLSA-N 1 0 249.398 3.839 20 0 BHADRO CC[N@H+](CCOC)[C@H](C)c1ccc(C(C)C)cc1 ZINC000503951985 528565314 /nfs/dbraw/zinc/56/53/14/528565314.db2.gz HEJKMQAIDOMMNE-CQSZACIVSA-N 1 0 249.398 3.839 20 0 BHADRO CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000503953555 529106888 /nfs/dbraw/zinc/10/68/88/529106888.db2.gz PGQDBRVTZXQYFE-JTQLQIEISA-N 1 0 241.737 3.506 20 0 BHADRO CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000503953556 529083150 /nfs/dbraw/zinc/08/31/50/529083150.db2.gz PGQDBRVTZXQYFE-SNVBAGLBSA-N 1 0 241.737 3.506 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1cc(F)ccc1F ZINC000503953591 528005560 /nfs/dbraw/zinc/00/55/60/528005560.db2.gz PNSINRQPXYEQOI-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1cc(F)ccc1F ZINC000503953592 528005136 /nfs/dbraw/zinc/00/51/36/528005136.db2.gz PNSINRQPXYEQOI-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)Cc1c(F)cccc1Cl ZINC000503954055 527999716 /nfs/dbraw/zinc/99/97/16/527999716.db2.gz STTGHIVSMQWERK-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC000503954381 528006323 /nfs/dbraw/zinc/00/63/23/528006323.db2.gz WLNDHSQIDOKFRS-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC000503954382 528006009 /nfs/dbraw/zinc/00/60/09/528006009.db2.gz WLNDHSQIDOKFRS-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO CCOc1ccc(C[N@H+](CC)CC(C)C)cc1 ZINC000503956898 528431376 /nfs/dbraw/zinc/43/13/76/528431376.db2.gz DLFULOPETHSDRL-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[NH+](CC)Cc1ccc2cc(OC)ccc2c1 ZINC000503959115 528192667 /nfs/dbraw/zinc/19/26/67/528192667.db2.gz VCYTZXNVLYKHJI-UHFFFAOYSA-N 1 0 243.350 3.690 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1ccccc1F ZINC000503964820 527963274 /nfs/dbraw/zinc/96/32/74/527963274.db2.gz TVNFWNXMSHYRQD-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1ccccc1F ZINC000503964821 527963466 /nfs/dbraw/zinc/96/34/66/527963466.db2.gz TVNFWNXMSHYRQD-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO CCCCC[N@H+](CC)Cc1ccc(F)cc1 ZINC000503966028 528167619 /nfs/dbraw/zinc/16/76/19/528167619.db2.gz YRGUYMOOFIZNMW-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000503969807 529108058 /nfs/dbraw/zinc/10/80/58/529108058.db2.gz NMIUBDTXTMLKRG-INIZCTEOSA-N 1 0 225.335 3.997 20 0 BHADRO CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000503969934 528801812 /nfs/dbraw/zinc/80/18/12/528801812.db2.gz OPAMTEZTRBRZMU-UHFFFAOYSA-N 1 0 225.335 3.824 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1cccc(F)c1 ZINC000503970610 527963327 /nfs/dbraw/zinc/96/33/27/527963327.db2.gz URQAADNJCHYOBI-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1cccc(F)c1 ZINC000503970611 527963368 /nfs/dbraw/zinc/96/33/68/527963368.db2.gz URQAADNJCHYOBI-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1ccc(Cl)cc1 ZINC000503970644 528235134 /nfs/dbraw/zinc/23/51/34/528235134.db2.gz VLKYHFFOQRKMHR-JTQLQIEISA-N 1 0 211.736 3.743 20 0 BHADRO CC[NH+](CC)[C@H](C)c1ccc(Cl)cc1 ZINC000503970645 528269112 /nfs/dbraw/zinc/26/91/12/528269112.db2.gz VLKYHFFOQRKMHR-SNVBAGLBSA-N 1 0 211.736 3.743 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000503977010 528776534 /nfs/dbraw/zinc/77/65/34/528776534.db2.gz OMHLCDPINUJKHF-UHFFFAOYSA-N 1 0 205.345 3.534 20 0 BHADRO CC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000503978203 528587481 /nfs/dbraw/zinc/58/74/81/528587481.db2.gz VNFUGJLVSUPPAR-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1ccccc1 ZINC000503978796 527963422 /nfs/dbraw/zinc/96/34/22/527963422.db2.gz YFCGKMJOBREJQE-CYBMUJFWSA-N 1 0 205.345 3.726 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1ccccc1 ZINC000503978797 527963652 /nfs/dbraw/zinc/96/36/52/527963652.db2.gz YFCGKMJOBREJQE-ZDUSSCGKSA-N 1 0 205.345 3.726 20 0 BHADRO CC[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000503985615 528803519 /nfs/dbraw/zinc/80/35/19/528803519.db2.gz JSZBOVOKHKAIDG-UHFFFAOYSA-N 1 0 245.288 3.936 20 0 BHADRO CC[N@H+](Cc1ccccc1C(F)(F)F)C(C)C ZINC000503986042 528832187 /nfs/dbraw/zinc/83/21/87/528832187.db2.gz LZLVFUUQZDPKQG-UHFFFAOYSA-N 1 0 245.288 3.936 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000503988415 528396794 /nfs/dbraw/zinc/39/67/94/528396794.db2.gz DFYFGXUBBWLAQW-ZDUSSCGKSA-N 1 0 235.371 3.878 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1ccc(OC)cc1 ZINC000503988943 528406403 /nfs/dbraw/zinc/40/64/03/528406403.db2.gz GWYLZNBVHFDSNU-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000503989888 528586900 /nfs/dbraw/zinc/58/69/00/528586900.db2.gz LEPKPUFNTCIVEA-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)C(C)C ZINC000503989889 528586495 /nfs/dbraw/zinc/58/64/95/528586495.db2.gz LEPKPUFNTCIVEA-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000503991747 528806139 /nfs/dbraw/zinc/80/61/39/528806139.db2.gz HJMDNBQXJXSEIL-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000503992505 528593041 /nfs/dbraw/zinc/59/30/41/528593041.db2.gz KLXVAIOVQKKDFE-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000503994405 528004459 /nfs/dbraw/zinc/00/44/59/528004459.db2.gz YBEGULPTZFECBZ-UHFFFAOYSA-N 1 0 211.736 3.572 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC000504000631 528005902 /nfs/dbraw/zinc/00/59/02/528005902.db2.gz CTKIPHKREQFSSZ-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC000504000632 528005844 /nfs/dbraw/zinc/00/58/44/528005844.db2.gz CTKIPHKREQFSSZ-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO CC[N@H+](CCc1ccccc1)[C@@H](C)C(C)C ZINC000504000671 528593398 /nfs/dbraw/zinc/59/33/98/528593398.db2.gz DHFHULGKFQSIGP-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC[N@H+](CCc1ccccc1)[C@H](C)C(C)C ZINC000504000672 528593130 /nfs/dbraw/zinc/59/31/30/528593130.db2.gz DHFHULGKFQSIGP-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1c(F)cccc1F ZINC000504001230 528005245 /nfs/dbraw/zinc/00/52/45/528005245.db2.gz JAFAHHPTDTYTFP-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1c(F)cccc1F ZINC000504001231 528006058 /nfs/dbraw/zinc/00/60/58/528006058.db2.gz JAFAHHPTDTYTFP-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000504002300 528006278 /nfs/dbraw/zinc/00/62/78/528006278.db2.gz OBFMKYOYWCJQNH-AWEZNQCLSA-N 1 0 205.345 3.870 20 0 BHADRO CCC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000504002301 528005477 /nfs/dbraw/zinc/00/54/77/528005477.db2.gz OBFMKYOYWCJQNH-CQSZACIVSA-N 1 0 205.345 3.870 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ccccc1C ZINC000504003213 528005372 /nfs/dbraw/zinc/00/53/72/528005372.db2.gz DRUNUKVIUIBSDV-CYBMUJFWSA-N 1 0 205.345 3.788 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ccccc1C ZINC000504003214 528006099 /nfs/dbraw/zinc/00/60/99/528006099.db2.gz DRUNUKVIUIBSDV-ZDUSSCGKSA-N 1 0 205.345 3.788 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1C(F)(F)F ZINC000504003313 528003901 /nfs/dbraw/zinc/00/39/01/528003901.db2.gz RIXDUMCJEUOKBK-UHFFFAOYSA-N 1 0 245.288 3.937 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000504003756 528783481 /nfs/dbraw/zinc/78/34/81/528783481.db2.gz SHGDROYYYDWMKG-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CC[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000504004242 528969658 /nfs/dbraw/zinc/96/96/58/528969658.db2.gz UPCJIALNMXZPLB-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000504004315 528777102 /nfs/dbraw/zinc/77/71/02/528777102.db2.gz IGNNIRSKIJMASJ-UHFFFAOYSA-N 1 0 245.288 3.936 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1F ZINC000504004675 528005574 /nfs/dbraw/zinc/00/55/74/528005574.db2.gz IOGHSGVKDWHDRB-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ccc(F)cc1F ZINC000504004676 528005059 /nfs/dbraw/zinc/00/50/59/528005059.db2.gz IOGHSGVKDWHDRB-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000504004954 528003512 /nfs/dbraw/zinc/00/35/12/528003512.db2.gz YBNVZPGKNRJIRP-UHFFFAOYSA-N 1 0 245.288 3.937 20 0 BHADRO CCC[N@H+](CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC000504008157 528005679 /nfs/dbraw/zinc/00/56/79/528005679.db2.gz UKMKPPJEILGPTQ-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](CC)[C@H](C)c1ccc(F)c(F)c1 ZINC000504008158 528006249 /nfs/dbraw/zinc/00/62/49/528006249.db2.gz UKMKPPJEILGPTQ-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CC[N@@H+](CCc1cccs1)CCC(C)C ZINC000504009730 528597361 /nfs/dbraw/zinc/59/73/61/528597361.db2.gz ZMUIZHCTVDKUTQ-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO COc1ccc([C@H]2CC[N@H+](CCC(C)C)C2)cc1 ZINC000504489404 533207052 /nfs/dbraw/zinc/20/70/52/533207052.db2.gz PIPFVXPFTHVNGS-HNNXBMFYSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@@H]2CC[N@H+](CCC(C)C)C2)cc1 ZINC000504489406 533145991 /nfs/dbraw/zinc/14/59/91/533145991.db2.gz PIPFVXPFTHVNGS-OAHLLOKOSA-N 1 0 247.382 3.531 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000504552802 528762489 /nfs/dbraw/zinc/76/24/89/528762489.db2.gz DLDMEOUYFKGCLO-VXGBXAGGSA-N 1 0 249.345 3.563 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000504589429 529123150 /nfs/dbraw/zinc/12/31/50/529123150.db2.gz LBJMQMRYGWMIPK-KYOSRNDESA-N 1 0 235.346 3.768 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000504589430 529122402 /nfs/dbraw/zinc/12/24/02/529122402.db2.gz LBJMQMRYGWMIPK-LNSITVRQSA-N 1 0 235.346 3.768 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000504589431 529121757 /nfs/dbraw/zinc/12/17/57/529121757.db2.gz LBJMQMRYGWMIPK-WHOFXGATSA-N 1 0 235.346 3.768 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000504589432 529122334 /nfs/dbraw/zinc/12/23/34/529122334.db2.gz LBJMQMRYGWMIPK-ZLDLUXBVSA-N 1 0 235.346 3.768 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1C[C@H]1C ZINC000504899882 226351973 /nfs/dbraw/zinc/35/19/73/226351973.db2.gz NVFFSBOLNMSLAZ-BHPKHCPMSA-N 1 0 229.367 3.789 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1C[C@H]1C ZINC000504899883 226352097 /nfs/dbraw/zinc/35/20/97/226352097.db2.gz NVFFSBOLNMSLAZ-CXTNEJHOSA-N 1 0 229.367 3.789 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1C[C@@H]1C ZINC000504899884 226351999 /nfs/dbraw/zinc/35/19/99/226351999.db2.gz NVFFSBOLNMSLAZ-JLNYLFASSA-N 1 0 229.367 3.789 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1C[C@@H]1C ZINC000504899885 226351912 /nfs/dbraw/zinc/35/19/12/226351912.db2.gz NVFFSBOLNMSLAZ-XFMPKHEZSA-N 1 0 229.367 3.789 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000504906133 533784140 /nfs/dbraw/zinc/78/41/40/533784140.db2.gz TZSBUHXNAFBEEL-DYEKYZERSA-N 1 0 249.423 3.884 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000504906134 533782082 /nfs/dbraw/zinc/78/20/82/533782082.db2.gz TZSBUHXNAFBEEL-MBNYWOFBSA-N 1 0 249.423 3.884 20 0 BHADRO CSC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000504906135 533783999 /nfs/dbraw/zinc/78/39/99/533783999.db2.gz TZSBUHXNAFBEEL-OBJOEFQTSA-N 1 0 249.423 3.884 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000504906136 533782911 /nfs/dbraw/zinc/78/29/11/533782911.db2.gz TZSBUHXNAFBEEL-SGMGOOAPSA-N 1 0 249.423 3.884 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CCC1 ZINC000504912734 226351920 /nfs/dbraw/zinc/35/19/20/226351920.db2.gz ZZKNXUUZTIESAG-DOMZBBRYSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CCC1 ZINC000504912735 226351953 /nfs/dbraw/zinc/35/19/53/226351953.db2.gz ZZKNXUUZTIESAG-IUODEOHRSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CCC1 ZINC000504912736 226352049 /nfs/dbraw/zinc/35/20/49/226352049.db2.gz ZZKNXUUZTIESAG-SWLSCSKDSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCC1 ZINC000504912737 226351939 /nfs/dbraw/zinc/35/19/39/226351939.db2.gz ZZKNXUUZTIESAG-WFASDCNBSA-N 1 0 229.367 3.933 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1ccccc1)C1CC1 ZINC000505228606 528408180 /nfs/dbraw/zinc/40/81/80/528408180.db2.gz BADRQKDRNGXCID-CYBMUJFWSA-N 1 0 217.356 3.696 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1ccccc1)C1CC1 ZINC000505228607 528961047 /nfs/dbraw/zinc/96/10/47/528961047.db2.gz BADRQKDRNGXCID-ZDUSSCGKSA-N 1 0 217.356 3.696 20 0 BHADRO C[N@@H+](Cc1coc2ccccc12)CC1CCC1 ZINC000505228622 530019040 /nfs/dbraw/zinc/01/90/40/530019040.db2.gz BJMHGMIIBOYVKZ-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CCC[N@H+](CC)C[C@H]1C[C@H]1c1ccccc1 ZINC000505228806 528001246 /nfs/dbraw/zinc/00/12/46/528001246.db2.gz CZSNXDOXYINOLO-CABCVRRESA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@H+](CC)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505228807 528000131 /nfs/dbraw/zinc/00/01/31/528000131.db2.gz CZSNXDOXYINOLO-HUUCEWRRSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@H+](CC)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505228808 527992480 /nfs/dbraw/zinc/99/24/80/527992480.db2.gz CZSNXDOXYINOLO-LSDHHAIUSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@H+](CC)C/C=C/c1ccc(F)cc1 ZINC000505229854 527962326 /nfs/dbraw/zinc/96/23/26/527962326.db2.gz KZVZWWKSRVQFBQ-AATRIKPKSA-N 1 0 221.319 3.571 20 0 BHADRO CCC[N@H+](CC)C/C=C\c1ccc(F)cc1 ZINC000505229857 527961200 /nfs/dbraw/zinc/96/12/00/527961200.db2.gz KZVZWWKSRVQFBQ-WAYWQWQTSA-N 1 0 221.319 3.571 20 0 BHADRO CCC[N@H+](CC)Cc1cc(Cl)ccc1F ZINC000505230196 528000698 /nfs/dbraw/zinc/00/06/98/528000698.db2.gz MJDDAZSYFCTUHJ-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)CC1CCC1 ZINC000505230197 529820551 /nfs/dbraw/zinc/82/05/51/529820551.db2.gz MJMQQYIATCIYPH-UTCJRWHESA-N 1 0 233.330 3.571 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)CC1CCC1 ZINC000505230198 529819950 /nfs/dbraw/zinc/81/99/50/529819950.db2.gz MJMQQYIATCIYPH-ZZXKWVIFSA-N 1 0 233.330 3.571 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(F)c(Cl)c1 ZINC000505231319 528003568 /nfs/dbraw/zinc/00/35/68/528003568.db2.gz RHRZLQMQPBEACY-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO C[N@@H+](Cc1cc(Cl)ccc1F)CC1CCC1 ZINC000505232683 529977863 /nfs/dbraw/zinc/97/78/63/529977863.db2.gz XPVYRYRIYLULQO-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC[N@H+](CC)Cc1cc2cc(OC)ccc2o1 ZINC000505234982 527999749 /nfs/dbraw/zinc/99/97/49/527999749.db2.gz DCZPSLJNZYEFQU-UHFFFAOYSA-N 1 0 247.338 3.673 20 0 BHADRO CCC[N@@H+](Cc1cc(F)cc(F)c1)CC1CC1 ZINC000505234995 528131772 /nfs/dbraw/zinc/13/17/72/528131772.db2.gz DIVVBXNALUTFFG-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCC[N@H+](CC)Cc1coc2ccccc12 ZINC000505235518 528003741 /nfs/dbraw/zinc/00/37/41/528003741.db2.gz LNTJRWABAUENDI-UHFFFAOYSA-N 1 0 217.312 3.665 20 0 BHADRO CC[NH+](CC)Cc1c(C)oc2ccccc21 ZINC000505235667 528186052 /nfs/dbraw/zinc/18/60/52/528186052.db2.gz NVPNMACCWQBEJX-UHFFFAOYSA-N 1 0 217.312 3.583 20 0 BHADRO COc1ccccc1C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000505236363 534073380 /nfs/dbraw/zinc/07/33/80/534073380.db2.gz YEGDOBSRMDROQY-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO COc1ccccc1C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000505236364 534073676 /nfs/dbraw/zinc/07/36/76/534073676.db2.gz YEGDOBSRMDROQY-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO CCC[N@H+](CC)Cc1cnc(CC(C)C)s1 ZINC000505236450 528003826 /nfs/dbraw/zinc/00/38/26/528003826.db2.gz ZIEVDMOFFPTYNS-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC[N@H+](Cc1ccsc1)C1CCCCC1 ZINC000505242331 528862891 /nfs/dbraw/zinc/86/28/91/528862891.db2.gz JMVGJGZIVSNPRE-UHFFFAOYSA-N 1 0 223.385 3.903 20 0 BHADRO CC[NH+](CC)Cc1cccc(OC2CCCC2)c1 ZINC000505242774 528197123 /nfs/dbraw/zinc/19/71/23/528197123.db2.gz OZPYCSWODKXDLK-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505242865 528022601 /nfs/dbraw/zinc/02/26/01/528022601.db2.gz QKIWZMBMDJSAMY-DLBZAZTESA-N 1 0 243.394 3.912 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505242866 528023858 /nfs/dbraw/zinc/02/38/58/528023858.db2.gz QKIWZMBMDJSAMY-IAGOWNOFSA-N 1 0 243.394 3.912 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000505242867 528023487 /nfs/dbraw/zinc/02/34/87/528023487.db2.gz QKIWZMBMDJSAMY-SJORKVTESA-N 1 0 243.394 3.912 20 0 BHADRO CC1CCC(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000505243274 528178657 /nfs/dbraw/zinc/17/86/57/528178657.db2.gz WXGBTVDUBJBANF-XUJLQICISA-N 1 0 246.398 3.978 20 0 BHADRO CC1CCC(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000505243275 528178451 /nfs/dbraw/zinc/17/84/51/528178451.db2.gz WXGBTVDUBJBANF-ZBCRRDGASA-N 1 0 246.398 3.978 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)C1CCCCC1 ZINC000505249045 528776557 /nfs/dbraw/zinc/77/65/57/528776557.db2.gz KDVMLDZHGZNRMT-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO CC[NH+](CC)Cc1cc2ccccc2s1 ZINC000505249223 528185631 /nfs/dbraw/zinc/18/56/31/528185631.db2.gz MQDUFTNGNKXQNK-UHFFFAOYSA-N 1 0 219.353 3.743 20 0 BHADRO C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000505249317 529999690 /nfs/dbraw/zinc/99/96/90/529999690.db2.gz NVKMLLDTOFLLAI-UHFFFAOYSA-N 1 0 247.288 3.597 20 0 BHADRO CC[NH+](CC)C/C=C/c1ccc(Cl)cc1 ZINC000505249594 528081225 /nfs/dbraw/zinc/08/12/25/528081225.db2.gz SBMKWLORGMKVEG-AATRIKPKSA-N 1 0 223.747 3.695 20 0 BHADRO CC[NH+](CC)C/C=C\c1ccc(Cl)cc1 ZINC000505249595 528081497 /nfs/dbraw/zinc/08/14/97/528081497.db2.gz SBMKWLORGMKVEG-WAYWQWQTSA-N 1 0 223.747 3.695 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1ccccc1 ZINC000505254563 528736935 /nfs/dbraw/zinc/73/69/35/528736935.db2.gz NMYIVBAFOCYUKQ-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO Cc1ccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)o1 ZINC000505255408 533905623 /nfs/dbraw/zinc/90/56/23/533905623.db2.gz SMVSEUFWVUKQIR-GFCCVEGCSA-N 1 0 221.344 3.597 20 0 BHADRO Cc1ccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)o1 ZINC000505255409 533905565 /nfs/dbraw/zinc/90/55/65/533905565.db2.gz SMVSEUFWVUKQIR-LBPRGKRZSA-N 1 0 221.344 3.597 20 0 BHADRO CC[NH+](CC)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000505259197 528186263 /nfs/dbraw/zinc/18/62/63/528186263.db2.gz DPXIMDYCKBMCAR-UHFFFAOYSA-N 1 0 247.313 3.928 20 0 BHADRO CC[NH+](CC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000505264328 528185928 /nfs/dbraw/zinc/18/59/28/528185928.db2.gz BTADRQKPSBGGMT-UHFFFAOYSA-N 1 0 249.251 3.686 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000505264377 528409135 /nfs/dbraw/zinc/40/91/35/528409135.db2.gz CKSCLQDGENLWNG-GFCCVEGCSA-N 1 0 235.346 3.835 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000505264378 528959415 /nfs/dbraw/zinc/95/94/15/528959415.db2.gz CKSCLQDGENLWNG-LBPRGKRZSA-N 1 0 235.346 3.835 20 0 BHADRO CC[NH+](CC)Cc1ccc(-c2ccccc2)o1 ZINC000505267221 528185725 /nfs/dbraw/zinc/18/57/25/528185725.db2.gz TURCIPMDVGCHAK-UHFFFAOYSA-N 1 0 229.323 3.788 20 0 BHADRO CC[NH+](CC)Cc1ccc(OC)c2ccccc12 ZINC000505271775 528192915 /nfs/dbraw/zinc/19/29/15/528192915.db2.gz IOCXSILHTHZDMS-UHFFFAOYSA-N 1 0 243.350 3.690 20 0 BHADRO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1F ZINC000505273247 388114288 /nfs/dbraw/zinc/11/42/88/388114288.db2.gz NYDUJPZHLRYSQA-UHFFFAOYSA-N 1 0 249.251 3.686 20 0 BHADRO CC[NH+](CC)Cc1ccc(OCC(C)C)cc1 ZINC000505276604 528193053 /nfs/dbraw/zinc/19/30/53/528193053.db2.gz INJPVOTTZVWPEK-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[NH+](CC)Cc1ccc(-c2ccccc2F)o1 ZINC000505277108 528186060 /nfs/dbraw/zinc/18/60/60/528186060.db2.gz MTRYROAWAIKEHS-UHFFFAOYSA-N 1 0 247.313 3.928 20 0 BHADRO CC[NH+](CC)Cc1c(Cl)oc2ccccc21 ZINC000505284229 528185868 /nfs/dbraw/zinc/18/58/68/528185868.db2.gz UTJUSCJXXJWXNV-UHFFFAOYSA-N 1 0 237.730 3.928 20 0 BHADRO CC[NH+](CC)Cc1ccc(F)cc1C(F)(F)F ZINC000505291139 528191452 /nfs/dbraw/zinc/19/14/52/528191452.db2.gz VEJCQBSLPPFMFT-UHFFFAOYSA-N 1 0 249.251 3.686 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2C[C@@H]2CC=CCC2)cc1 ZINC000505291565 226353665 /nfs/dbraw/zinc/35/36/65/226353665.db2.gz XPEOHASBFMMKHR-GDBMZVCRSA-N 1 0 227.351 3.790 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2C[C@H]2CC=CCC2)cc1 ZINC000505291566 226353679 /nfs/dbraw/zinc/35/36/79/226353679.db2.gz XPEOHASBFMMKHR-GOEBONIOSA-N 1 0 227.351 3.790 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2C[C@H]2CC=CCC2)cc1 ZINC000505291567 226353635 /nfs/dbraw/zinc/35/36/35/226353635.db2.gz XPEOHASBFMMKHR-HOCLYGCPSA-N 1 0 227.351 3.790 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2C[C@@H]2CC=CCC2)cc1 ZINC000505291568 226353691 /nfs/dbraw/zinc/35/36/91/226353691.db2.gz XPEOHASBFMMKHR-ZBFHGGJFSA-N 1 0 227.351 3.790 20 0 BHADRO CC[N@H+](Cc1occc1C)C1CCCCC1 ZINC000505295231 528916857 /nfs/dbraw/zinc/91/68/57/528916857.db2.gz FTGMXJYFQPVQQD-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO CC[NH+](CC)Cc1ccccc1OC1CCCC1 ZINC000505295813 528199511 /nfs/dbraw/zinc/19/95/11/528199511.db2.gz MVFLUSQNNLQPTK-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000505297161 528959273 /nfs/dbraw/zinc/95/92/73/528959273.db2.gz ZTAWDVXEIIUUGL-JTQLQIEISA-N 1 0 241.762 3.942 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000505297162 528409190 /nfs/dbraw/zinc/40/91/90/528409190.db2.gz ZTAWDVXEIIUUGL-SNVBAGLBSA-N 1 0 241.762 3.942 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000505301018 528408604 /nfs/dbraw/zinc/40/86/04/528408604.db2.gz CTSJTYAQKQWOJF-GFCCVEGCSA-N 1 0 235.346 3.835 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000505301019 528961256 /nfs/dbraw/zinc/96/12/56/528961256.db2.gz CTSJTYAQKQWOJF-LBPRGKRZSA-N 1 0 235.346 3.835 20 0 BHADRO C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CCC1 ZINC000505301032 529972954 /nfs/dbraw/zinc/97/29/54/529972954.db2.gz CZFDBEOJEMAKGX-CVEARBPZSA-N 1 0 229.367 3.522 20 0 BHADRO C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CCC1 ZINC000505301033 529972958 /nfs/dbraw/zinc/97/29/58/529972958.db2.gz CZFDBEOJEMAKGX-HZPDHXFCSA-N 1 0 229.367 3.522 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CCC1 ZINC000505301034 529957715 /nfs/dbraw/zinc/95/77/15/529957715.db2.gz CZFDBEOJEMAKGX-JKSUJKDBSA-N 1 0 229.367 3.522 20 0 BHADRO CC[NH+](CC)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000505301559 528191548 /nfs/dbraw/zinc/19/15/48/528191548.db2.gz JUNPMPJMIAAKFN-UHFFFAOYSA-N 1 0 249.251 3.686 20 0 BHADRO CC(C)[C@@H](C)[N@H+](Cc1ccccc1F)C1CC1 ZINC000505302574 528408630 /nfs/dbraw/zinc/40/86/30/528408630.db2.gz WUMGMMMKSKOAMX-GFCCVEGCSA-N 1 0 235.346 3.835 20 0 BHADRO CC(C)[C@H](C)[N@H+](Cc1ccccc1F)C1CC1 ZINC000505302575 528960520 /nfs/dbraw/zinc/96/05/20/528960520.db2.gz WUMGMMMKSKOAMX-LBPRGKRZSA-N 1 0 235.346 3.835 20 0 BHADRO C[N@@H+](Cc1ccc(F)c(Cl)c1)CC1CCC1 ZINC000505302703 529986905 /nfs/dbraw/zinc/98/69/05/529986905.db2.gz YFMGRAOOMBIAHY-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000505307745 529202060 /nfs/dbraw/zinc/20/20/60/529202060.db2.gz IQVLHEVJQWOKII-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000505307746 529202511 /nfs/dbraw/zinc/20/25/11/529202511.db2.gz IQVLHEVJQWOKII-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000505307747 529274305 /nfs/dbraw/zinc/27/43/05/529274305.db2.gz IQVLHEVJQWOKII-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000505307748 529274165 /nfs/dbraw/zinc/27/41/65/529274165.db2.gz IQVLHEVJQWOKII-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1sccc1OC ZINC000505307816 529274183 /nfs/dbraw/zinc/27/41/83/529274183.db2.gz JMBILIICDCCBCO-LLVKDONJSA-N 1 0 239.384 3.521 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1sccc1OC ZINC000505307817 529202539 /nfs/dbraw/zinc/20/25/39/529202539.db2.gz JMBILIICDCCBCO-NSHDSACASA-N 1 0 239.384 3.521 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCCCC2)o1 ZINC000505308222 529635333 /nfs/dbraw/zinc/63/53/33/529635333.db2.gz OAXRKCBCIYMHNI-UHFFFAOYSA-N 1 0 221.344 3.607 20 0 BHADRO CCC[NH+](CCC)Cc1cccc2[nH]ccc21 ZINC000505308441 528060072 /nfs/dbraw/zinc/06/00/72/528060072.db2.gz QILRIZOSHUOATO-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CCc1ccc(C[N@H+]2CCCC[C@H]2CC)o1 ZINC000505313778 529639035 /nfs/dbraw/zinc/63/90/35/529639035.db2.gz JFWIMLOARRUGQY-GFCCVEGCSA-N 1 0 221.344 3.607 20 0 BHADRO CCc1ccc(C[N@H+]2CCCC[C@@H]2CC)o1 ZINC000505313779 529639088 /nfs/dbraw/zinc/63/90/88/529639088.db2.gz JFWIMLOARRUGQY-LBPRGKRZSA-N 1 0 221.344 3.607 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000505315444 534174525 /nfs/dbraw/zinc/17/45/25/534174525.db2.gz YWYUHKHFAFKINH-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO Cc1ccccc1CSCC[NH+]1CCCCC1 ZINC000505316119 226353879 /nfs/dbraw/zinc/35/38/79/226353879.db2.gz HBMZONDQQROTBW-UHFFFAOYSA-N 1 0 249.423 3.714 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)c(F)c1 ZINC000505324442 533738120 /nfs/dbraw/zinc/73/81/20/533738120.db2.gz BKWIXXAGWARKCW-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)c(F)c1 ZINC000505324443 533830243 /nfs/dbraw/zinc/83/02/43/533830243.db2.gz BKWIXXAGWARKCW-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)c(F)c1 ZINC000505324444 226354139 /nfs/dbraw/zinc/35/41/39/226354139.db2.gz BKWIXXAGWARKCW-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000505324446 529274242 /nfs/dbraw/zinc/27/42/42/529274242.db2.gz BLQDIHBBYBWVFB-GFCCVEGCSA-N 1 0 223.385 3.821 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000505324447 529202659 /nfs/dbraw/zinc/20/26/59/529202659.db2.gz BLQDIHBBYBWVFB-LBPRGKRZSA-N 1 0 223.385 3.821 20 0 BHADRO CCOc1cccc(C[N@H+](C)C2CCCCC2)c1 ZINC000505325004 528642405 /nfs/dbraw/zinc/64/24/05/528642405.db2.gz FBFGMBVDUVFZPH-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)cc(F)c1 ZINC000505325425 533737458 /nfs/dbraw/zinc/73/74/58/533737458.db2.gz IEKPCSIJBXCELS-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)cc(F)c1 ZINC000505325426 533830136 /nfs/dbraw/zinc/83/01/36/533830136.db2.gz IEKPCSIJBXCELS-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)cc(F)c1 ZINC000505325427 226354023 /nfs/dbraw/zinc/35/40/23/226354023.db2.gz IEKPCSIJBXCELS-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000505325667 533742906 /nfs/dbraw/zinc/74/29/06/533742906.db2.gz JJGJFYFOOQIEBE-BZPMIXESSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000505325668 226354122 /nfs/dbraw/zinc/35/41/22/226354122.db2.gz JJGJFYFOOQIEBE-DYEKYZERSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000505325669 226353974 /nfs/dbraw/zinc/35/39/74/226353974.db2.gz JJGJFYFOOQIEBE-MBNYWOFBSA-N 1 0 233.355 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000505325671 534051260 /nfs/dbraw/zinc/05/12/60/534051260.db2.gz JJGJFYFOOQIEBE-YRGRVCCFSA-N 1 0 233.355 3.635 20 0 BHADRO C[N@H+](Cc1ccc(Cl)o1)C1CCCCC1 ZINC000505326490 529985838 /nfs/dbraw/zinc/98/58/38/529985838.db2.gz OCBGIKXOTVIRLG-UHFFFAOYSA-N 1 0 227.735 3.698 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1sccc1C ZINC000505326867 529274209 /nfs/dbraw/zinc/27/42/09/529274209.db2.gz PVNWFLWDAZRYFH-GFCCVEGCSA-N 1 0 223.385 3.821 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1sccc1C ZINC000505326868 529202625 /nfs/dbraw/zinc/20/26/25/529202625.db2.gz PVNWFLWDAZRYFH-LBPRGKRZSA-N 1 0 223.385 3.821 20 0 BHADRO C[N@H+](Cc1cccc2cc[nH]c21)C1CCCCC1 ZINC000505327269 529996074 /nfs/dbraw/zinc/99/60/74/529996074.db2.gz SJPKCSOGYJHKOC-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO C[N@H+](Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000505327331 529980016 /nfs/dbraw/zinc/98/00/16/529980016.db2.gz TVHDFZIWOOFTQD-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000505327526 533692486 /nfs/dbraw/zinc/69/24/86/533692486.db2.gz VYFVSNZFSASYIO-BMFZPTHFSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000505327527 533693407 /nfs/dbraw/zinc/69/34/07/533693407.db2.gz VYFVSNZFSASYIO-FVQBIDKESA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000505327528 533688907 /nfs/dbraw/zinc/68/89/07/533688907.db2.gz VYFVSNZFSASYIO-VNQPRFMTSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000505327576 529202639 /nfs/dbraw/zinc/20/26/39/529202639.db2.gz WOKOBRNVLWOOLD-HNNXBMFYSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000505327577 529274022 /nfs/dbraw/zinc/27/40/22/529274022.db2.gz WOKOBRNVLWOOLD-OAHLLOKOSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(COC)c1 ZINC000505327729 529202237 /nfs/dbraw/zinc/20/22/37/529202237.db2.gz YDKDAHSUHICJEL-INIZCTEOSA-N 1 0 247.382 3.598 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(COC)c1 ZINC000505327730 529274238 /nfs/dbraw/zinc/27/42/38/529274238.db2.gz YDKDAHSUHICJEL-MRXNPFEDSA-N 1 0 247.382 3.598 20 0 BHADRO CCc1oc2ccccc2c1C[NH+]1CCCC1 ZINC000505327887 226354154 /nfs/dbraw/zinc/35/41/54/226354154.db2.gz ZYSGNTXSCNPKGZ-UHFFFAOYSA-N 1 0 229.323 3.591 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)cc1F ZINC000505330236 533737650 /nfs/dbraw/zinc/73/76/50/533737650.db2.gz IYJFPEMZBQBILM-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1F ZINC000505330237 533829523 /nfs/dbraw/zinc/82/95/23/533829523.db2.gz IYJFPEMZBQBILM-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)cc1F ZINC000505330238 226354067 /nfs/dbraw/zinc/35/40/67/226354067.db2.gz IYJFPEMZBQBILM-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000505330270 533692731 /nfs/dbraw/zinc/69/27/31/533692731.db2.gz JLAQPBRRWZOUPG-LLVKDONJSA-N 1 0 247.313 3.804 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000505330271 226353865 /nfs/dbraw/zinc/35/38/65/226353865.db2.gz JLAQPBRRWZOUPG-NSHDSACASA-N 1 0 247.313 3.804 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(F)cccc1F ZINC000505330965 533737276 /nfs/dbraw/zinc/73/72/76/533737276.db2.gz NHGQRMGBHKDYHQ-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c(F)cccc1F ZINC000505330967 533829711 /nfs/dbraw/zinc/82/97/11/533829711.db2.gz NHGQRMGBHKDYHQ-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1c(F)cccc1F ZINC000505330968 226353902 /nfs/dbraw/zinc/35/39/02/226353902.db2.gz NHGQRMGBHKDYHQ-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccc(C)cn1 ZINC000505332382 528404338 /nfs/dbraw/zinc/40/43/38/528404338.db2.gz WIGLOTORANFZGC-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000505332798 529202173 /nfs/dbraw/zinc/20/21/73/529202173.db2.gz YLCFNDOBYSKVTA-AWEZNQCLSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000505332800 529273892 /nfs/dbraw/zinc/27/38/92/529273892.db2.gz YLCFNDOBYSKVTA-CQSZACIVSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000505336582 226354281 /nfs/dbraw/zinc/35/42/81/226354281.db2.gz CGXDAMQLWMJXMP-DXTPNHAXSA-N 1 0 233.330 3.571 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000505336583 533678372 /nfs/dbraw/zinc/67/83/72/533678372.db2.gz CGXDAMQLWMJXMP-HSBHDXMMSA-N 1 0 233.330 3.571 20 0 BHADRO C[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000505336584 226354315 /nfs/dbraw/zinc/35/43/15/226354315.db2.gz CGXDAMQLWMJXMP-LQPUYASZSA-N 1 0 233.330 3.571 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000505336585 533677856 /nfs/dbraw/zinc/67/78/56/533677856.db2.gz CGXDAMQLWMJXMP-MASHWEEQSA-N 1 0 233.330 3.571 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)ccc1F ZINC000505337122 533738396 /nfs/dbraw/zinc/73/83/96/533738396.db2.gz FXKMNECNRUXZDT-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)ccc1F ZINC000505337123 533829026 /nfs/dbraw/zinc/82/90/26/533829026.db2.gz FXKMNECNRUXZDT-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)ccc1F ZINC000505337124 226354229 /nfs/dbraw/zinc/35/42/29/226354229.db2.gz FXKMNECNRUXZDT-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000505337502 529945034 /nfs/dbraw/zinc/94/50/34/529945034.db2.gz JCJGBQWRCSBFEP-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](C[C@H]1CC=CCC1)C1CCCCC1 ZINC000505337503 529962991 /nfs/dbraw/zinc/96/29/91/529962991.db2.gz JCJGBQWRCSBFEP-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO Cc1cc2cc(C[NH+]3CCCC3)oc2cc1C ZINC000505339912 534086606 /nfs/dbraw/zinc/08/66/06/534086606.db2.gz XTJYHZOZZQRKNJ-UHFFFAOYSA-N 1 0 229.323 3.645 20 0 BHADRO CCC[NH+](CCC)Cc1cc(F)cc(F)c1 ZINC000505341276 528060668 /nfs/dbraw/zinc/06/06/68/528060668.db2.gz AGERKZBUOXRTTK-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000505341984 533964100 /nfs/dbraw/zinc/96/41/00/533964100.db2.gz FEYXFRPKWPAMMZ-GHMZBOCLSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000505341985 533963920 /nfs/dbraw/zinc/96/39/20/533963920.db2.gz FEYXFRPKWPAMMZ-PHIMTYICSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000505341986 533959378 /nfs/dbraw/zinc/95/93/78/533959378.db2.gz FEYXFRPKWPAMMZ-QWRGUYRKSA-N 1 0 223.385 3.534 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(F)c1F ZINC000505342210 533737816 /nfs/dbraw/zinc/73/78/16/533737816.db2.gz GEZCWQYDAZXKFS-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(F)c1F ZINC000505342211 533829657 /nfs/dbraw/zinc/82/96/57/533829657.db2.gz GEZCWQYDAZXKFS-PHIMTYICSA-N 1 0 239.309 3.728 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(F)c1F ZINC000505342212 226354273 /nfs/dbraw/zinc/35/42/73/226354273.db2.gz GEZCWQYDAZXKFS-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO Fc1ccccc1-c1ccc(C[NH+]2CCCC2)o1 ZINC000505342241 534530077 /nfs/dbraw/zinc/53/00/77/534530077.db2.gz GPXLDGWFOCCADZ-UHFFFAOYSA-N 1 0 245.297 3.682 20 0 BHADRO Cc1ccsc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000505345639 534471657 /nfs/dbraw/zinc/47/16/57/534471657.db2.gz UDLFRWKPMPLTNQ-GHMZBOCLSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccsc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000505345641 534472827 /nfs/dbraw/zinc/47/28/27/534472827.db2.gz UDLFRWKPMPLTNQ-PHIMTYICSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccsc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000505345642 534472332 /nfs/dbraw/zinc/47/23/32/534472332.db2.gz UDLFRWKPMPLTNQ-QWRGUYRKSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccc(-c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000505347908 226354453 /nfs/dbraw/zinc/35/44/53/226354453.db2.gz DPOAYPRAXBWZSD-UHFFFAOYSA-N 1 0 241.334 3.851 20 0 BHADRO CCC[NH+](CCC)Cc1cc(F)c(F)c(F)c1 ZINC000505348634 528060104 /nfs/dbraw/zinc/06/01/04/528060104.db2.gz IGWMYTXIJVWCNS-UHFFFAOYSA-N 1 0 245.288 3.726 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000505348839 226354175 /nfs/dbraw/zinc/35/41/75/226354175.db2.gz IQCLGBYOHLKDCU-BETUJISGSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000505348841 226354174 /nfs/dbraw/zinc/35/41/74/226354174.db2.gz IQCLGBYOHLKDCU-CHWSQXEVSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000505348842 226354307 /nfs/dbraw/zinc/35/43/07/226354307.db2.gz IQCLGBYOHLKDCU-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO CCC[NH+](CCC)Cc1sccc1C ZINC000505350199 528060257 /nfs/dbraw/zinc/06/02/57/528060257.db2.gz OCDHUQPKDMLSGP-UHFFFAOYSA-N 1 0 211.374 3.679 20 0 BHADRO CCC[NH+](CCC)Cc1cccc(F)c1F ZINC000505350491 528059692 /nfs/dbraw/zinc/05/96/92/528059692.db2.gz OZFFGZKVRXYXFN-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000505350515 533693144 /nfs/dbraw/zinc/69/31/44/533693144.db2.gz PEOMIUCSBINMGO-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000505350516 226354269 /nfs/dbraw/zinc/35/42/69/226354269.db2.gz PEOMIUCSBINMGO-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000505350798 226354335 /nfs/dbraw/zinc/35/43/35/226354335.db2.gz QCUAZXGJJKGVPA-BETUJISGSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000505350799 226354286 /nfs/dbraw/zinc/35/42/86/226354286.db2.gz QCUAZXGJJKGVPA-CHWSQXEVSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000505350800 226354197 /nfs/dbraw/zinc/35/41/97/226354197.db2.gz QCUAZXGJJKGVPA-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(Cl)o1 ZINC000505350840 528060761 /nfs/dbraw/zinc/06/07/61/528060761.db2.gz QNBOUVOTDBCTMR-UHFFFAOYSA-N 1 0 215.724 3.555 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(C)s1 ZINC000505352097 528060200 /nfs/dbraw/zinc/06/02/00/528060200.db2.gz WADBCMUGVGEGJI-UHFFFAOYSA-N 1 0 211.374 3.679 20 0 BHADRO COc1ccsc1C[N@H+](C)C1CCCCC1 ZINC000505352195 533095648 /nfs/dbraw/zinc/09/56/48/533095648.db2.gz WLVOLFGRMLJTEO-UHFFFAOYSA-N 1 0 239.384 3.521 20 0 BHADRO CCC[NH+](CCC)Cc1cccc2cc[nH]c21 ZINC000505354888 528060233 /nfs/dbraw/zinc/06/02/33/528060233.db2.gz AKFYMUBEMYFTQU-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CCCC[NH+](CCCC)Cc1cccnc1C ZINC000505355035 528404641 /nfs/dbraw/zinc/40/46/41/528404641.db2.gz CFANNEXMMLLLNZ-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO CCC[NH+](CCC)Cc1c(F)cccc1F ZINC000505355585 528059816 /nfs/dbraw/zinc/05/98/16/528059816.db2.gz KBWKFVSHZNXTRQ-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO C[N@H+](Cc1c(F)cccc1F)C1CCCCC1 ZINC000505355588 529974937 /nfs/dbraw/zinc/97/49/37/529974937.db2.gz KCFPNOLIAGQVKX-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCC[NH+](CCC)Cc1cc(F)c(F)cc1F ZINC000505355629 528060698 /nfs/dbraw/zinc/06/06/98/528060698.db2.gz KUHOSYBTRKEKSA-UHFFFAOYSA-N 1 0 245.288 3.726 20 0 BHADRO c1ccc(OC2CCCC2)c(C[NH+]2CCCC2)c1 ZINC000505356382 226354655 /nfs/dbraw/zinc/35/46/55/226354655.db2.gz VNCCZCMOMYERQK-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000505356384 529202391 /nfs/dbraw/zinc/20/23/91/529202391.db2.gz VNNQCUBBQWCJIH-JTQLQIEISA-N 1 0 227.735 3.698 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000505356385 529274007 /nfs/dbraw/zinc/27/40/07/529274007.db2.gz VNNQCUBBQWCJIH-SNVBAGLBSA-N 1 0 227.735 3.698 20 0 BHADRO CCC[NH+](C/C=C/c1ccccc1OC)CCC ZINC000505356409 527868646 /nfs/dbraw/zinc/86/86/46/527868646.db2.gz VWXIEHOSBTUVKJ-CSKARUKUSA-N 1 0 247.382 3.830 20 0 BHADRO CCC[NH+](C/C=C\c1ccccc1OC)CCC ZINC000505356410 527868797 /nfs/dbraw/zinc/86/87/97/527868797.db2.gz VWXIEHOSBTUVKJ-NTMALXAHSA-N 1 0 247.382 3.830 20 0 BHADRO Fc1ccc(-c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000505362036 534451924 /nfs/dbraw/zinc/45/19/24/534451924.db2.gz KDLGIYZNZOJHTJ-UHFFFAOYSA-N 1 0 245.297 3.682 20 0 BHADRO CN(C)c1ccccc1C[N@H+](C)C1CCCCC1 ZINC000505362687 529794240 /nfs/dbraw/zinc/79/42/40/529794240.db2.gz RSYFOKCLJZZPMP-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2CCCCCC2)cc1 ZINC000505412371 534461013 /nfs/dbraw/zinc/46/10/13/534461013.db2.gz AETBQDIRGFIRBW-AATRIKPKSA-N 1 0 233.330 3.715 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2CCCCCC2)cc1 ZINC000505412372 226355086 /nfs/dbraw/zinc/35/50/86/226355086.db2.gz AETBQDIRGFIRBW-WAYWQWQTSA-N 1 0 233.330 3.715 20 0 BHADRO c1cc2cccc(C[NH+]3CCCCCC3)c2[nH]1 ZINC000505413540 226355146 /nfs/dbraw/zinc/35/51/46/226355146.db2.gz HPSKGNZWSRZANZ-UHFFFAOYSA-N 1 0 228.339 3.544 20 0 BHADRO Cc1cc(C[NH+]2CCCCCC2)ccc1F ZINC000505437740 533599033 /nfs/dbraw/zinc/59/90/33/533599033.db2.gz GVORHBCRLGCWGO-UHFFFAOYSA-N 1 0 221.319 3.510 20 0 BHADRO CC(C)(C)[N@@H+](Cc1ccccc1)CC1CC1 ZINC000505455130 526281436 /nfs/dbraw/zinc/28/14/36/526281436.db2.gz GWECEVJLPCWWHV-UHFFFAOYSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCCCCC2)o1 ZINC000505460903 398080902 /nfs/dbraw/zinc/08/09/02/398080902.db2.gz GNHKFZCLYVFFFC-GXTWGEPZSA-N 1 0 233.355 3.779 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCCCCC2)o1 ZINC000505460904 398081043 /nfs/dbraw/zinc/08/10/43/398081043.db2.gz GNHKFZCLYVFFFC-JSGCOSHPSA-N 1 0 233.355 3.779 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCCCCC2)o1 ZINC000505460905 398080685 /nfs/dbraw/zinc/08/06/85/398080685.db2.gz GNHKFZCLYVFFFC-OCCSQVGLSA-N 1 0 233.355 3.779 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCCCCC2)o1 ZINC000505460906 398081230 /nfs/dbraw/zinc/08/12/30/398081230.db2.gz GNHKFZCLYVFFFC-TZMCWYRMSA-N 1 0 233.355 3.779 20 0 BHADRO COc1ccccc1/C=C/C[NH+]1CCCCCC1 ZINC000505461026 398081067 /nfs/dbraw/zinc/08/10/67/398081067.db2.gz HROOWGYWGDIKKR-CSKARUKUSA-N 1 0 245.366 3.584 20 0 BHADRO COc1ccccc1/C=C\C[NH+]1CCCCCC1 ZINC000505461027 398080738 /nfs/dbraw/zinc/08/07/38/398080738.db2.gz HROOWGYWGDIKKR-NTMALXAHSA-N 1 0 245.366 3.584 20 0 BHADRO Cc1ccc(F)c(C[NH+]2CCCCCC2)c1 ZINC000505461152 229244995 /nfs/dbraw/zinc/24/49/95/229244995.db2.gz IRQCJMAGGDIFPO-UHFFFAOYSA-N 1 0 221.319 3.510 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000505462851 226355609 /nfs/dbraw/zinc/35/56/09/226355609.db2.gz VOPUCJMYILENET-CVEARBPZSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000505462853 226355529 /nfs/dbraw/zinc/35/55/29/226355529.db2.gz VOPUCJMYILENET-HZPDHXFCSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000505462854 226355508 /nfs/dbraw/zinc/35/55/08/226355508.db2.gz VOPUCJMYILENET-JKSUJKDBSA-N 1 0 229.367 3.666 20 0 BHADRO Cc1ccc(C[NH+]2CCCCCC2)cc1F ZINC000505466148 533918880 /nfs/dbraw/zinc/91/88/80/533918880.db2.gz CJVMHGAUAZIMLH-UHFFFAOYSA-N 1 0 221.319 3.510 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000505478352 529181322 /nfs/dbraw/zinc/18/13/22/529181322.db2.gz BWWYUPXXAGLBJB-CYBMUJFWSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H]([NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000505478353 529622768 /nfs/dbraw/zinc/62/27/68/529622768.db2.gz BWWYUPXXAGLBJB-ZDUSSCGKSA-N 1 0 241.325 3.879 20 0 BHADRO CCC[N@H+](CCCc1ccccc1OC)C1CC1 ZINC000505486783 528071107 /nfs/dbraw/zinc/07/11/07/528071107.db2.gz FVKNQEIUQNBAIP-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCc1ccccc1OC ZINC000505503190 528046329 /nfs/dbraw/zinc/04/63/29/528046329.db2.gz MRLFJESYJUZTLS-AWEZNQCLSA-N 1 0 249.398 3.748 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCc1ccccc1OC ZINC000505503191 528886552 /nfs/dbraw/zinc/88/65/52/528886552.db2.gz MRLFJESYJUZTLS-CQSZACIVSA-N 1 0 249.398 3.748 20 0 BHADRO COc1ccccc1CCC[NH+]1CCCCCC1 ZINC000505516866 534025956 /nfs/dbraw/zinc/02/59/56/534025956.db2.gz UIKXKFLIOGIKAA-UHFFFAOYSA-N 1 0 247.382 3.504 20 0 BHADRO CC[N@H+](CCCc1ccccc1OC)CC(C)C ZINC000505523352 528474469 /nfs/dbraw/zinc/47/44/69/528474469.db2.gz ZZDRFUKCONLDFX-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO COc1ccccc1CCC[N@@H+]1CCCC[C@@H]1C ZINC000505527561 534026571 /nfs/dbraw/zinc/02/65/71/534026571.db2.gz KWPIPXXRQVLVFP-AWEZNQCLSA-N 1 0 247.382 3.502 20 0 BHADRO COc1ccccc1CCC[N@@H+]1CCCC[C@H]1C ZINC000505527562 534027162 /nfs/dbraw/zinc/02/71/62/534027162.db2.gz KWPIPXXRQVLVFP-CQSZACIVSA-N 1 0 247.382 3.502 20 0 BHADRO COc1ccccc1CCC[N@H+](C)[C@@H](C)C(C)C ZINC000505549425 534027681 /nfs/dbraw/zinc/02/76/81/534027681.db2.gz CJUVLFPKMYQMAK-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO COc1ccccc1CCC[N@H+](C)[C@H](C)C(C)C ZINC000505549426 534025580 /nfs/dbraw/zinc/02/55/80/534025580.db2.gz CJUVLFPKMYQMAK-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2cccs2)ccc1F ZINC000505553908 226356746 /nfs/dbraw/zinc/35/67/46/226356746.db2.gz RWMBBHWYXXQTAW-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2cccs2)o1 ZINC000505554330 529636155 /nfs/dbraw/zinc/63/61/55/529636155.db2.gz XOMLJLRCQLDUDF-UHFFFAOYSA-N 1 0 235.352 3.536 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2cccs2)c(C)c1 ZINC000505559775 533875540 /nfs/dbraw/zinc/87/55/40/533875540.db2.gz MRSVACKOBWUNAK-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO COc1ccccc1CCC[N@H+](C)CC(C)(C)C ZINC000505561062 534025535 /nfs/dbraw/zinc/02/55/35/534025535.db2.gz BCMKWTLZRVKHBM-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO COc1ccccc1CCC[N@@H+]1CCCC1(C)C ZINC000505561805 534026415 /nfs/dbraw/zinc/02/64/15/534026415.db2.gz LHWQDYXNNMZJGW-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000505563339 528139796 /nfs/dbraw/zinc/13/97/96/528139796.db2.gz DNMVIPRBDOHUBV-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](C)Cc1cccs1 ZINC000505564139 533876748 /nfs/dbraw/zinc/87/67/48/533876748.db2.gz LKOHMWAJWLZYER-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO c1coc(C[N@H+](Cc2cccs2)CC2CC2)c1 ZINC000505564960 226356956 /nfs/dbraw/zinc/35/69/56/226356956.db2.gz RMNJAOLXZGAWBW-UHFFFAOYSA-N 1 0 247.363 3.753 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2cccs2)cc1C ZINC000505576979 533876248 /nfs/dbraw/zinc/87/62/48/533876248.db2.gz OBDBIDGTOWQLFG-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccccc1C[N@H+](C)Cc1ccc(Cl)o1 ZINC000505581602 226357219 /nfs/dbraw/zinc/35/72/19/226357219.db2.gz JVAMMNFBRKOTMS-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO COc1ccccc1CCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000505589676 534029579 /nfs/dbraw/zinc/02/95/79/534029579.db2.gz AGKCQJJPFUHJOI-KBPBESRZSA-N 1 0 247.382 3.501 20 0 BHADRO COc1ccccc1CCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000505589679 534029269 /nfs/dbraw/zinc/02/92/69/534029269.db2.gz AGKCQJJPFUHJOI-OKILXGFUSA-N 1 0 247.382 3.501 20 0 BHADRO COc1ccccc1CCC[NH+]1[C@H](C)CC[C@H]1C ZINC000505589680 534028177 /nfs/dbraw/zinc/02/81/77/534028177.db2.gz AGKCQJJPFUHJOI-ZIAGYGMSSA-N 1 0 247.382 3.501 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000505590942 529636580 /nfs/dbraw/zinc/63/65/80/529636580.db2.gz PWNUJYXHBXDNFJ-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO COc1ccccc1CCC[NH+](C(C)C)C(C)C ZINC000505591770 534026894 /nfs/dbraw/zinc/02/68/94/534026894.db2.gz PKYFYASROCJBOK-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2cccs2)cc1F ZINC000505592814 533876944 /nfs/dbraw/zinc/87/69/44/533876944.db2.gz ZXJCKYQMKIBWAX-UHFFFAOYSA-N 1 0 249.354 3.828 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000505595085 529636606 /nfs/dbraw/zinc/63/66/06/529636606.db2.gz AQOHIXXTFVNGMT-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO C[N@@H+](Cc1ccccc1F)C[C@@H]1CC=CCC1 ZINC000505595193 530002768 /nfs/dbraw/zinc/00/27/68/530002768.db2.gz BTJVQMUFUDUQSE-CYBMUJFWSA-N 1 0 233.330 3.614 20 0 BHADRO C[N@@H+](Cc1ccccc1F)C[C@H]1CC=CCC1 ZINC000505595197 530002776 /nfs/dbraw/zinc/00/27/76/530002776.db2.gz BTJVQMUFUDUQSE-ZDUSSCGKSA-N 1 0 233.330 3.614 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c(F)cccc1F ZINC000505596345 529337768 /nfs/dbraw/zinc/33/77/68/529337768.db2.gz LFYQGJHCFSFEGW-GHMZBOCLSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c(F)cccc1F ZINC000505596346 529249333 /nfs/dbraw/zinc/24/93/33/529249333.db2.gz LFYQGJHCFSFEGW-MNOVXSKESA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1F ZINC000505596348 529253783 /nfs/dbraw/zinc/25/37/83/529253783.db2.gz LFYQGJHCFSFEGW-QWRGUYRKSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1F ZINC000505596349 529343455 /nfs/dbraw/zinc/34/34/55/529343455.db2.gz LFYQGJHCFSFEGW-WDEREUQCSA-N 1 0 239.309 3.728 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)o2)cc1 ZINC000505596482 533876144 /nfs/dbraw/zinc/87/61/44/533876144.db2.gz KTNXGXSVCSUJJK-UHFFFAOYSA-N 1 0 249.741 3.873 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)(C)C ZINC000505601363 533910250 /nfs/dbraw/zinc/91/02/50/533910250.db2.gz DORMSGPDXOSLBA-GXTWGEPZSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)(C)C ZINC000505601364 226357484 /nfs/dbraw/zinc/35/74/84/226357484.db2.gz DORMSGPDXOSLBA-JSGCOSHPSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)(C)C ZINC000505601365 533423273 /nfs/dbraw/zinc/42/32/73/533423273.db2.gz DORMSGPDXOSLBA-OCCSQVGLSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)(C)C ZINC000505601366 533436057 /nfs/dbraw/zinc/43/60/57/533436057.db2.gz DORMSGPDXOSLBA-TZMCWYRMSA-N 1 0 231.383 3.741 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCc1ccccc1OC ZINC000505601597 528538872 /nfs/dbraw/zinc/53/88/72/528538872.db2.gz GNCDSWXVHRYKCJ-UHFFFAOYSA-N 1 0 249.398 3.748 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCc1ccccc1OC ZINC000505602233 529220454 /nfs/dbraw/zinc/22/04/54/529220454.db2.gz LJAGSLDEONBJNK-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCc1ccccc1OC ZINC000505602234 529301583 /nfs/dbraw/zinc/30/15/83/529301583.db2.gz LJAGSLDEONBJNK-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO C[N@@H+](Cc1cccs1)C[C@@H]1CC=CCC1 ZINC000505605945 530009656 /nfs/dbraw/zinc/00/96/56/530009656.db2.gz HOGGLADTXIMGSR-GFCCVEGCSA-N 1 0 221.369 3.536 20 0 BHADRO C[N@@H+](Cc1cccs1)C[C@H]1CC=CCC1 ZINC000505605952 530009512 /nfs/dbraw/zinc/00/95/12/530009512.db2.gz HOGGLADTXIMGSR-LBPRGKRZSA-N 1 0 221.369 3.536 20 0 BHADRO C[N@H+](Cc1ccsc1)Cc1cccc(F)c1 ZINC000505609306 530013835 /nfs/dbraw/zinc/01/38/35/530013835.db2.gz NCTZEEJMDBTPIQ-UHFFFAOYSA-N 1 0 235.327 3.519 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000505609490 529635981 /nfs/dbraw/zinc/63/59/81/529635981.db2.gz YYJWXPAZRWDMFS-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC000505610815 529635758 /nfs/dbraw/zinc/63/57/58/529635758.db2.gz OXSWRRNFASOXFJ-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCc1ccccc1OC ZINC000505611347 529650891 /nfs/dbraw/zinc/65/08/91/529650891.db2.gz SXJVRXQPOLMXRH-AWEZNQCLSA-N 1 0 249.398 3.606 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCc1ccccc1OC ZINC000505611348 529313729 /nfs/dbraw/zinc/31/37/29/529313729.db2.gz SXJVRXQPOLMXRH-CQSZACIVSA-N 1 0 249.398 3.606 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000505612273 529635000 /nfs/dbraw/zinc/63/50/00/529635000.db2.gz PGGPTMSMRSOTNE-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2occc2C)cc1 ZINC000505613743 529636435 /nfs/dbraw/zinc/63/64/35/529636435.db2.gz WALFUILXGUCLTP-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C(C)(C)C ZINC000505620141 533868806 /nfs/dbraw/zinc/86/88/06/533868806.db2.gz FWEIPJLOFFKFDT-JTQLQIEISA-N 1 0 241.325 3.532 20 0 BHADRO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C(C)(C)C ZINC000505620142 533403558 /nfs/dbraw/zinc/40/35/58/533403558.db2.gz FWEIPJLOFFKFDT-SNVBAGLBSA-N 1 0 241.325 3.532 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H](C)C(C)(C)C ZINC000505624936 226358045 /nfs/dbraw/zinc/35/80/45/226358045.db2.gz JDQXCVIKOHMYAC-GFCCVEGCSA-N 1 0 237.362 3.701 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000505624937 226358006 /nfs/dbraw/zinc/35/80/06/226358006.db2.gz JDQXCVIKOHMYAC-LBPRGKRZSA-N 1 0 237.362 3.701 20 0 BHADRO C[C@@H]([NH2+]CCCOC1CCCCC1)C(C)(C)C ZINC000505626207 533385532 /nfs/dbraw/zinc/38/55/32/533385532.db2.gz PLVPXLGFLRSVOX-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCCOC1CCCCC1)C(C)(C)C ZINC000505626208 226357810 /nfs/dbraw/zinc/35/78/10/226357810.db2.gz PLVPXLGFLRSVOX-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCCN(C)c1ccccc1)C(C)(C)C ZINC000505626486 533846870 /nfs/dbraw/zinc/84/68/70/533846870.db2.gz SVMSQIODNADEKU-AWEZNQCLSA-N 1 0 248.414 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCN(C)c1ccccc1)C(C)(C)C ZINC000505626487 533379108 /nfs/dbraw/zinc/37/91/08/533379108.db2.gz SVMSQIODNADEKU-CQSZACIVSA-N 1 0 248.414 3.537 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000505628601 226358029 /nfs/dbraw/zinc/35/80/29/226358029.db2.gz AGZMWJATHMYKAM-UHFFFAOYSA-N 1 0 229.323 3.528 20 0 BHADRO Cc1cccc(C[N@H+](C)Cc2cccs2)c1C ZINC000505631819 226357882 /nfs/dbraw/zinc/35/78/82/226357882.db2.gz KBXDZZWIHHCZBX-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)Cc1cccs1 ZINC000505632825 529820685 /nfs/dbraw/zinc/82/06/85/529820685.db2.gz LIUSBRCZEHUEFC-UITAMQMPSA-N 1 0 243.375 3.893 20 0 BHADRO CC[N@H+](CCCc1ccccc1OC)C1CCC1 ZINC000505634805 528475579 /nfs/dbraw/zinc/47/55/79/528475579.db2.gz MNWDAUSEYBQNKU-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC=CCC1 ZINC000505639276 529994789 /nfs/dbraw/zinc/99/47/89/529994789.db2.gz QBXVBPLQZVENMJ-CYBMUJFWSA-N 1 0 233.330 3.614 20 0 BHADRO C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC=CCC1 ZINC000505639279 529994881 /nfs/dbraw/zinc/99/48/81/529994881.db2.gz QBXVBPLQZVENMJ-ZDUSSCGKSA-N 1 0 233.330 3.614 20 0 BHADRO CC(C)[N@H+](Cc1cccc(O)c1)C1CCCCC1 ZINC000505767849 528946198 /nfs/dbraw/zinc/94/61/98/528946198.db2.gz VMSTUQAHBPTNCY-UHFFFAOYSA-N 1 0 247.382 3.935 20 0 BHADRO CCC[N@@H+](Cc1ccccc1F)CC(C)C ZINC000505785200 528148029 /nfs/dbraw/zinc/14/80/29/528148029.db2.gz SUJIZTZZFVNGLL-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO C(=C\[C@H]1CCC[N@H+]1CC1CC1)\c1ccccc1 ZINC000505811087 527471270 /nfs/dbraw/zinc/47/12/70/527471270.db2.gz CZXDRHVHPRTJNU-BLIJAFNYSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C/[C@@H]1CCC[N@H+]1CC1CC1)\c1ccccc1 ZINC000505811088 527465903 /nfs/dbraw/zinc/46/59/03/527465903.db2.gz CZXDRHVHPRTJNU-OFAQMXQXSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C/[C@H]1CCC[N@H+]1CC1CC1)\c1ccccc1 ZINC000505811089 527465447 /nfs/dbraw/zinc/46/54/47/527465447.db2.gz CZXDRHVHPRTJNU-SIFUEBAJSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C\[C@@H]1CCC[N@H+]1CC1CC1)\c1ccccc1 ZINC000505811090 527470981 /nfs/dbraw/zinc/47/09/81/527470981.db2.gz CZXDRHVHPRTJNU-SNGWPZLWSA-N 1 0 227.351 3.574 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505820431 528186446 /nfs/dbraw/zinc/18/64/46/528186446.db2.gz RMAWLOKJRJOFCU-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505820432 528186037 /nfs/dbraw/zinc/18/60/37/528186037.db2.gz RMAWLOKJRJOFCU-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1cc[nH]n1 ZINC000505842109 528168278 /nfs/dbraw/zinc/16/82/78/528168278.db2.gz CQKMSVZVFZDMHI-UHFFFAOYSA-N 1 0 237.391 3.592 20 0 BHADRO CCCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000505842149 528360344 /nfs/dbraw/zinc/36/03/44/528360344.db2.gz DJMCVYQZXVRKPW-CABCVRRESA-N 1 0 217.356 3.522 20 0 BHADRO CCCC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505842150 528359952 /nfs/dbraw/zinc/35/99/52/528359952.db2.gz DJMCVYQZXVRKPW-HUUCEWRRSA-N 1 0 217.356 3.522 20 0 BHADRO CCCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505842151 528354214 /nfs/dbraw/zinc/35/42/14/528354214.db2.gz DJMCVYQZXVRKPW-LSDHHAIUSA-N 1 0 217.356 3.522 20 0 BHADRO CC(C)COc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000505842157 528151574 /nfs/dbraw/zinc/15/15/74/528151574.db2.gz DKOBAFRAPWEPHT-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO CC(C)[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000505842737 528835348 /nfs/dbraw/zinc/83/53/48/528835348.db2.gz PHASQQXAPUIYFQ-UHFFFAOYSA-N 1 0 237.730 3.926 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505844821 533581128 /nfs/dbraw/zinc/58/11/28/533581128.db2.gz IQZOIHGCFBSDPW-BOLDSZDNSA-N 1 0 247.407 3.527 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505844822 533581868 /nfs/dbraw/zinc/58/18/68/533581868.db2.gz IQZOIHGCFBSDPW-FEAKQIBJSA-N 1 0 247.407 3.527 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505844823 533581177 /nfs/dbraw/zinc/58/11/77/533581177.db2.gz IQZOIHGCFBSDPW-FJVVXJACSA-N 1 0 247.407 3.527 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505844824 533581316 /nfs/dbraw/zinc/58/13/16/533581316.db2.gz IQZOIHGCFBSDPW-KVPUOBJLSA-N 1 0 247.407 3.527 20 0 BHADRO CCCC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000505847505 528334978 /nfs/dbraw/zinc/33/49/78/528334978.db2.gz AJYAPPMCGNXSLB-OWBHPGMISA-N 1 0 217.356 3.822 20 0 BHADRO CCCC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000505847506 528335531 /nfs/dbraw/zinc/33/55/31/528335531.db2.gz AJYAPPMCGNXSLB-WYMLVPIESA-N 1 0 217.356 3.822 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1F ZINC000505847753 533924806 /nfs/dbraw/zinc/92/48/06/533924806.db2.gz FOFRNAFPTCQFJL-GFCCVEGCSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1F ZINC000505847754 533924131 /nfs/dbraw/zinc/92/41/31/533924131.db2.gz FOFRNAFPTCQFJL-LBPRGKRZSA-N 1 0 221.319 3.509 20 0 BHADRO CCc1oc2ccccc2c1C[N@H+](C)C(C)C ZINC000505848318 226360544 /nfs/dbraw/zinc/36/05/44/226360544.db2.gz QCGOJDUXGNNMHA-UHFFFAOYSA-N 1 0 231.339 3.835 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505852724 534432203 /nfs/dbraw/zinc/43/22/03/534432203.db2.gz ZLJWHKIRXUPYIP-BOLDSZDNSA-N 1 0 233.330 3.524 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505852725 534432498 /nfs/dbraw/zinc/43/24/98/534432498.db2.gz ZLJWHKIRXUPYIP-FEAKQIBJSA-N 1 0 233.330 3.524 20 0 BHADRO FCCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505852726 534431865 /nfs/dbraw/zinc/43/18/65/534431865.db2.gz ZLJWHKIRXUPYIP-FJVVXJACSA-N 1 0 233.330 3.524 20 0 BHADRO FCCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505852727 534432007 /nfs/dbraw/zinc/43/20/07/534432007.db2.gz ZLJWHKIRXUPYIP-KVPUOBJLSA-N 1 0 233.330 3.524 20 0 BHADRO CCc1ccc(C[N@@H+](CC)Cc2ccccc2)o1 ZINC000505852786 529637482 /nfs/dbraw/zinc/63/74/82/529637482.db2.gz AJERLJXFXPXDOY-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(F)c(F)c(F)c1 ZINC000505853108 528394304 /nfs/dbraw/zinc/39/43/04/528394304.db2.gz GTGNEMFGZFCQOP-UHFFFAOYSA-N 1 0 245.288 3.726 20 0 BHADRO CCCC[N@H+](CC)C/C=C\c1ccccc1OC ZINC000505853235 528393353 /nfs/dbraw/zinc/39/33/53/528393353.db2.gz JCEXZOVMHVSODH-LUAWRHEFSA-N 1 0 247.382 3.830 20 0 BHADRO CCCC[N@H+](CC)C/C=C/c1ccccc1OC ZINC000505853236 528393582 /nfs/dbraw/zinc/39/35/82/528393582.db2.gz JCEXZOVMHVSODH-PKNBQFBNSA-N 1 0 247.382 3.830 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)Cc1ccncc1 ZINC000505853549 527718794 /nfs/dbraw/zinc/71/87/94/527718794.db2.gz OWQSAQKGVIYHRO-UHFFFAOYSA-N 1 0 248.414 3.976 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000505853684 226360564 /nfs/dbraw/zinc/36/05/64/226360564.db2.gz RIEADNDLEQHNBN-GFCCVEGCSA-N 1 0 229.323 3.807 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000505853685 226360710 /nfs/dbraw/zinc/36/07/10/226360710.db2.gz RIEADNDLEQHNBN-LBPRGKRZSA-N 1 0 229.323 3.807 20 0 BHADRO CCCC[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000505854024 528335142 /nfs/dbraw/zinc/33/51/42/528335142.db2.gz YSTGKJCWJLWJOZ-AATRIKPKSA-N 1 0 221.319 3.571 20 0 BHADRO CCCC[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000505854025 528335271 /nfs/dbraw/zinc/33/52/71/528335271.db2.gz YSTGKJCWJLWJOZ-WAYWQWQTSA-N 1 0 221.319 3.571 20 0 BHADRO CCCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000505858541 528360518 /nfs/dbraw/zinc/36/05/18/528360518.db2.gz 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BHADRO CC(C)[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000505867515 528835580 /nfs/dbraw/zinc/83/55/80/528835580.db2.gz HQEZSYWKOUODSR-UHFFFAOYSA-N 1 0 225.401 3.886 20 0 BHADRO Cc1cc2cc(C[N@@H+](C)C(C)C)oc2cc1C ZINC000505867981 534086791 /nfs/dbraw/zinc/08/67/91/534086791.db2.gz JQPRCFTUADMLFQ-UHFFFAOYSA-N 1 0 231.339 3.890 20 0 BHADRO CCCCOc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000505868024 528672165 /nfs/dbraw/zinc/67/21/65/528672165.db2.gz KCFDDKHIGDSWRU-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000505868054 528359315 /nfs/dbraw/zinc/35/93/15/528359315.db2.gz KKEAQHQTBWMQEH-UHFFFAOYSA-N 1 0 246.329 3.606 20 0 BHADRO Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000505869203 226361044 /nfs/dbraw/zinc/36/10/44/226361044.db2.gz VOCOOQGUENQBIP-GFCCVEGCSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000505869204 226361016 /nfs/dbraw/zinc/36/10/16/226361016.db2.gz VOCOOQGUENQBIP-LBPRGKRZSA-N 1 0 221.319 3.509 20 0 BHADRO 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ZINC000505873058 534162442 /nfs/dbraw/zinc/16/24/42/534162442.db2.gz VNBWYEJYRFILTN-LLVKDONJSA-N 1 0 247.313 3.946 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000505873059 226361063 /nfs/dbraw/zinc/36/10/63/226361063.db2.gz VNBWYEJYRFILTN-NSHDSACASA-N 1 0 247.313 3.946 20 0 BHADRO CCCC[N@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000505875834 528359625 /nfs/dbraw/zinc/35/96/25/528359625.db2.gz BXXDIQVOJVUPPN-UHFFFAOYSA-N 1 0 247.338 3.673 20 0 BHADRO CCCC[N@H+](CC)Cc1cccc2[nH]ccc21 ZINC000505877313 528394218 /nfs/dbraw/zinc/39/42/18/528394218.db2.gz RVSXJONGXDWGCV-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505879810 528218390 /nfs/dbraw/zinc/21/83/90/528218390.db2.gz MPNCPFDETARJDZ-AUECHBEKSA-N 1 0 215.340 3.574 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505879811 528218332 /nfs/dbraw/zinc/21/83/32/528218332.db2.gz MPNCPFDETARJDZ-JQPIKURYSA-N 1 0 215.340 3.574 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505879812 528226921 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ZINC000505897683 534049560 /nfs/dbraw/zinc/04/95/60/534049560.db2.gz HSLNKJAKXNAIOY-YRGRVCCFSA-N 1 0 233.355 3.777 20 0 BHADRO CC(C)[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000505898294 528833726 /nfs/dbraw/zinc/83/37/26/528833726.db2.gz NITGCGGMFDBXSV-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CCCC[N@H+](C)Cc1c(Cl)cccc1OC ZINC000505899426 528360267 /nfs/dbraw/zinc/36/02/67/528360267.db2.gz WNJPLRZCUQUCRF-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(F)cc(F)c1 ZINC000505902421 528394028 /nfs/dbraw/zinc/39/40/28/528394028.db2.gz FTYZUEFGIDNCGP-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO CC[C@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000505903604 529332644 /nfs/dbraw/zinc/33/26/44/529332644.db2.gz SZASZQFNUTZIPF-CYBMUJFWSA-N 1 0 205.345 3.520 20 0 BHADRO CC[C@@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000505903605 529471541 /nfs/dbraw/zinc/47/15/41/529471541.db2.gz SZASZQFNUTZIPF-ZDUSSCGKSA-N 1 0 205.345 3.520 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000505903627 528360042 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/nfs/dbraw/zinc/08/12/99/528081299.db2.gz RWQFSBIEKCWPJR-KAMYIIQDSA-N 1 0 247.382 3.578 20 0 BHADRO CC[NH+](CC)C/C(C)=C/c1ccccc1COC ZINC000506849515 528081614 /nfs/dbraw/zinc/08/16/14/528081614.db2.gz RWQFSBIEKCWPJR-SDNWHVSQSA-N 1 0 247.382 3.578 20 0 BHADRO CCCC[NH+](CCCC)Cc1conc1CC ZINC000506865233 528404857 /nfs/dbraw/zinc/40/48/57/528404857.db2.gz MAPKNWVBSYXVDV-UHFFFAOYSA-N 1 0 238.375 3.639 20 0 BHADRO COCc1ccccc1/C=C(\C)C[N@H+](C)C(C)C ZINC000506875847 533253838 /nfs/dbraw/zinc/25/38/38/533253838.db2.gz OQUPGTKNYBXGTI-GXDHUFHOSA-N 1 0 247.382 3.577 20 0 BHADRO COCc1ccccc1/C=C(/C)C[N@H+](C)C(C)C ZINC000506875848 226364501 /nfs/dbraw/zinc/36/45/01/226364501.db2.gz OQUPGTKNYBXGTI-UVTDQMKNSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000506876260 528833946 /nfs/dbraw/zinc/83/39/46/528833946.db2.gz RDNDBFXMJRYPKR-UHFFFAOYSA-N 1 0 217.356 3.794 20 0 BHADRO CC(C)OCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000506977867 527976485 /nfs/dbraw/zinc/97/64/85/527976485.db2.gz BNWHRAXUKHEPLG-HNNXBMFYSA-N 1 0 249.398 3.788 20 0 BHADRO CC(C)OCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000506977868 527978789 /nfs/dbraw/zinc/97/87/89/527978789.db2.gz BNWHRAXUKHEPLG-OAHLLOKOSA-N 1 0 249.398 3.788 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000506994449 528886642 /nfs/dbraw/zinc/88/66/42/528886642.db2.gz IPJRZBWKBAPZJX-CYBMUJFWSA-N 1 0 245.366 3.583 20 0 BHADRO CCC[C@H](C)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000506994450 528046338 /nfs/dbraw/zinc/04/63/38/528046338.db2.gz IPJRZBWKBAPZJX-ZDUSSCGKSA-N 1 0 245.366 3.583 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1OC ZINC000506994463 528886721 /nfs/dbraw/zinc/88/67/21/528886721.db2.gz ITMVHYDGFTUGFP-BMGYJQCNSA-N 1 0 247.382 3.829 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1OC ZINC000506994464 528886582 /nfs/dbraw/zinc/88/65/82/528886582.db2.gz ITMVHYDGFTUGFP-KOTGUFOOSA-N 1 0 247.382 3.829 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C\c1ccccc1OC ZINC000506994465 528045552 /nfs/dbraw/zinc/04/55/52/528045552.db2.gz ITMVHYDGFTUGFP-MSKHEQNASA-N 1 0 247.382 3.829 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C/c1ccccc1OC ZINC000506994466 528045441 /nfs/dbraw/zinc/04/54/41/528045441.db2.gz ITMVHYDGFTUGFP-ZHZWZMEUSA-N 1 0 247.382 3.829 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)CC(C)(C)C ZINC000506995097 528793416 /nfs/dbraw/zinc/79/34/16/528793416.db2.gz POSFECPPFZUUTP-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000506995415 528047191 /nfs/dbraw/zinc/04/71/91/528047191.db2.gz SCMSKFZEEVBNAE-CWRNSKLLSA-N 1 0 231.383 3.911 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000506995416 528047921 /nfs/dbraw/zinc/04/79/21/528047921.db2.gz SCMSKFZEEVBNAE-IMJJTQAJSA-N 1 0 231.383 3.911 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000506995417 528047066 /nfs/dbraw/zinc/04/70/66/528047066.db2.gz SCMSKFZEEVBNAE-NUEKZKHPSA-N 1 0 231.383 3.911 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000507003674 528045518 /nfs/dbraw/zinc/04/55/18/528045518.db2.gz XPTINHAZFZHEAU-IYNGYCSASA-N 1 0 235.346 3.959 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000507003676 528887265 /nfs/dbraw/zinc/88/72/65/528887265.db2.gz XPTINHAZFZHEAU-SCXUMTSISA-N 1 0 235.346 3.959 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000507003677 528046439 /nfs/dbraw/zinc/04/64/39/528046439.db2.gz XPTINHAZFZHEAU-VGVVRCBHSA-N 1 0 235.346 3.959 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000507003679 528887048 /nfs/dbraw/zinc/88/70/48/528887048.db2.gz XPTINHAZFZHEAU-VUDGCMKMSA-N 1 0 235.346 3.959 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C)sc1C ZINC000507006778 528047667 /nfs/dbraw/zinc/04/76/67/528047667.db2.gz JXIJHXIKODFJRD-JTQLQIEISA-N 1 0 225.401 3.985 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)sc1C ZINC000507006781 528887196 /nfs/dbraw/zinc/88/71/96/528887196.db2.gz JXIJHXIKODFJRD-SNVBAGLBSA-N 1 0 225.401 3.985 20 0 BHADRO COc1ccc(C[N@H+](CC(C)C)C(C)C)cc1 ZINC000507008472 533548767 /nfs/dbraw/zinc/54/87/67/533548767.db2.gz UDTDAPBDMWGMEZ-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000507009750 528886668 /nfs/dbraw/zinc/88/66/68/528886668.db2.gz YBMSLMSYPSAKKO-SECBINFHSA-N 1 0 245.288 3.724 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000507009756 528047528 /nfs/dbraw/zinc/04/75/28/528047528.db2.gz YBMSLMSYPSAKKO-VIFPVBQESA-N 1 0 245.288 3.724 20 0 BHADRO c1coc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000507012958 226364732 /nfs/dbraw/zinc/36/47/32/226364732.db2.gz NRFHRAQYUAIFMS-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)o1 ZINC000507019123 528888592 /nfs/dbraw/zinc/88/85/92/528888592.db2.gz DVFINROYFBJORF-SECBINFHSA-N 1 0 215.724 3.553 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(Cl)o1 ZINC000507019125 528046804 /nfs/dbraw/zinc/04/68/04/528046804.db2.gz DVFINROYFBJORF-VIFPVBQESA-N 1 0 215.724 3.553 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1 ZINC000507023248 528888911 /nfs/dbraw/zinc/88/89/11/528888911.db2.gz XDNPRBBRWGJDEV-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc(OCC)c1 ZINC000507023250 528047708 /nfs/dbraw/zinc/04/77/08/528047708.db2.gz XDNPRBBRWGJDEV-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO Cc1sccc1C[N@@H+]1CCc2sccc2C1 ZINC000507078299 226364978 /nfs/dbraw/zinc/36/49/78/226364978.db2.gz PSAJPRJAIYJKSY-UHFFFAOYSA-N 1 0 249.404 3.676 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)Cc1ccccc1C ZINC000507109196 528777508 /nfs/dbraw/zinc/77/75/08/528777508.db2.gz BUTKPGJFTGYJLG-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000507110456 533385898 /nfs/dbraw/zinc/38/58/98/533385898.db2.gz KJCHMFKXPDBSDW-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000507110472 527944597 /nfs/dbraw/zinc/94/45/97/527944597.db2.gz KQJAZORLIIRDSI-UHFFFAOYSA-N 1 0 223.335 3.692 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000507110510 527945523 /nfs/dbraw/zinc/94/55/23/527945523.db2.gz KXMHNEISABHIDR-UHFFFAOYSA-N 1 0 223.335 3.692 20 0 BHADRO CC[N@H+](CCc1ccccc1)Cc1occc1C ZINC000507111232 528591940 /nfs/dbraw/zinc/59/19/40/528591940.db2.gz OKMSBVHHQKNJSK-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1cccc(C)c1 ZINC000507111299 528918152 /nfs/dbraw/zinc/91/81/52/528918152.db2.gz PBRYHGAKKHOFSD-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO Cc1ccc(-c2ccc(C[N@@H+](C)C3CC3)o2)cc1 ZINC000507111626 226365225 /nfs/dbraw/zinc/36/52/25/226365225.db2.gz QESUYNMPCGYHBX-UHFFFAOYSA-N 1 0 241.334 3.849 20 0 BHADRO CCc1oc2ccccc2c1C[N@H+](C)C1CC1 ZINC000507111631 226365362 /nfs/dbraw/zinc/36/53/62/226365362.db2.gz QGLBOILYFAEOPJ-UHFFFAOYSA-N 1 0 229.323 3.589 20 0 BHADRO CC[N@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000507111700 527792948 /nfs/dbraw/zinc/79/29/48/527792948.db2.gz RHTCOKQNJCWISV-UHFFFAOYSA-N 1 0 239.362 3.770 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH+]1CCSCC1 ZINC000507113110 226365253 /nfs/dbraw/zinc/36/52/53/226365253.db2.gz ZQKXQGRQILBFHA-UHFFFAOYSA-N 1 0 247.407 3.503 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)s1 ZINC000507114728 533925978 /nfs/dbraw/zinc/92/59/78/533925978.db2.gz AFVDKZKILSVHSH-CYBMUJFWSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H]2C(C)C)s1 ZINC000507114729 533929940 /nfs/dbraw/zinc/92/99/40/533929940.db2.gz AFVDKZKILSVHSH-ZDUSSCGKSA-N 1 0 223.385 3.677 20 0 BHADRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1C ZINC000507115544 533560435 /nfs/dbraw/zinc/56/04/35/533560435.db2.gz JNVBSRQOHRKSJX-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1C ZINC000507115545 226365409 /nfs/dbraw/zinc/36/54/09/226365409.db2.gz JNVBSRQOHRKSJX-OAHLLOKOSA-N 1 0 247.382 3.624 20 0 BHADRO CC[N@@H+](Cc1ccc(C)s1)CC(C)C ZINC000507115637 528778027 /nfs/dbraw/zinc/77/80/27/528778027.db2.gz IABCFUFDMXCWSZ-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000507116266 527782961 /nfs/dbraw/zinc/78/29/61/527782961.db2.gz KNBTYNIQQBIUGD-CXSQMQJXSA-N 1 0 229.367 3.820 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000507116267 528674859 /nfs/dbraw/zinc/67/48/59/528674859.db2.gz KNBTYNIQQBIUGD-DIEDAUMRSA-N 1 0 229.367 3.820 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000507116268 527783341 /nfs/dbraw/zinc/78/33/41/527783341.db2.gz KNBTYNIQQBIUGD-VGZDNEPHSA-N 1 0 229.367 3.820 20 0 BHADRO CC[N@@H+](Cc1cccc(Cl)c1)CC1CC1 ZINC000507116387 528805806 /nfs/dbraw/zinc/80/58/06/528805806.db2.gz PZACCYLPXDHNOL-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CC[N@H+](CCc1ccccc1)Cc1ccsc1 ZINC000507116498 528591886 /nfs/dbraw/zinc/59/18/86/528591886.db2.gz LYEBQULJQCWWNV-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO Cc1sccc1C[N@H+](C)CCc1ccccc1 ZINC000507117200 226365373 /nfs/dbraw/zinc/36/53/73/226365373.db2.gz USFOVYMPZKRABT-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CC1 ZINC000507117229 533769438 /nfs/dbraw/zinc/76/94/38/533769438.db2.gz UZYOSECVWJMCPC-UHFFFAOYSA-N 1 0 223.747 3.551 20 0 BHADRO Cn1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000507117831 226365480 /nfs/dbraw/zinc/36/54/80/226365480.db2.gz AHVPOUIAWBZNKR-INIZCTEOSA-N 1 0 246.398 3.570 20 0 BHADRO Cn1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000507117833 226365393 /nfs/dbraw/zinc/36/53/93/226365393.db2.gz AHVPOUIAWBZNKR-MRXNPFEDSA-N 1 0 246.398 3.570 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000507118266 528674635 /nfs/dbraw/zinc/67/46/35/528674635.db2.gz BSMVIWLYJDJLTJ-AWEZNQCLSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000507118267 527785270 /nfs/dbraw/zinc/78/52/70/527785270.db2.gz BSMVIWLYJDJLTJ-CQSZACIVSA-N 1 0 239.309 3.585 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1ccccc1C ZINC000507118457 528917689 /nfs/dbraw/zinc/91/76/89/528917689.db2.gz CJMRRKZSRZBVKS-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO CC[N@H+](CCc1ccccc1)CC(C)(C)C ZINC000507118977 528591619 /nfs/dbraw/zinc/59/16/19/528591619.db2.gz VIBYAOWPGXQRJN-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO CCC[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000507119143 527813441 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534648582 /nfs/dbraw/zinc/64/85/82/534648582.db2.gz XIRCUBAHJTYGAQ-CQSZACIVSA-N 1 0 235.758 3.887 20 0 BHADRO CC(C)CCOc1ccc(C[N@H+](C)C2CC2)cc1 ZINC000507131119 527776730 /nfs/dbraw/zinc/77/67/30/527776730.db2.gz CSUGNQDWNQCEHC-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000507131302 528674585 /nfs/dbraw/zinc/67/45/85/528674585.db2.gz GVJBBMJNDOQUFZ-HNNXBMFYSA-N 1 0 242.366 3.788 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000507131303 527784121 /nfs/dbraw/zinc/78/41/21/527784121.db2.gz GVJBBMJNDOQUFZ-OAHLLOKOSA-N 1 0 242.366 3.788 20 0 BHADRO CC(C)[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000507131526 528914174 /nfs/dbraw/zinc/91/41/74/528914174.db2.gz JIYXRMBPKRFUJT-UHFFFAOYSA-N 1 0 243.350 3.733 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000507131903 534469325 /nfs/dbraw/zinc/46/93/25/534469325.db2.gz MKTLUJYTRCWUOJ-GFCCVEGCSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1ccsc1C[N@H+]1CCC[C@H]1C(C)C ZINC000507131904 534472113 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/nfs/dbraw/zinc/36/62/82/226366282.db2.gz KQVFKYRETJUVAG-INIZCTEOSA-N 1 0 247.382 3.660 20 0 BHADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(C)C ZINC000507160271 533253158 /nfs/dbraw/zinc/25/31/58/533253158.db2.gz KQVFKYRETJUVAG-MRXNPFEDSA-N 1 0 247.382 3.660 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000507161405 529345034 /nfs/dbraw/zinc/34/50/34/529345034.db2.gz QIKUJFONZDLRAQ-GFCCVEGCSA-N 1 0 247.382 3.630 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000507161407 529691532 /nfs/dbraw/zinc/69/15/32/529691532.db2.gz QIKUJFONZDLRAQ-LBPRGKRZSA-N 1 0 247.382 3.630 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000507162062 529691175 /nfs/dbraw/zinc/69/11/75/529691175.db2.gz UCEKMCRHVMWFTH-JTQLQIEISA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000507162063 529345170 /nfs/dbraw/zinc/34/51/70/529345170.db2.gz UCEKMCRHVMWFTH-SNVBAGLBSA-N 1 0 238.400 3.641 20 0 BHADRO CC[N@@H+](Cc1cc(F)c(F)cc1F)CC(C)C ZINC000507162117 528766200 /nfs/dbraw/zinc/76/62/00/528766200.db2.gz UUMSVLOUMCVTTD-UHFFFAOYSA-N 1 0 245.288 3.582 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000507162571 529345050 /nfs/dbraw/zinc/34/50/50/529345050.db2.gz VKACMDGFDJHPRG-GFCCVEGCSA-N 1 0 247.382 3.630 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000507162572 529691329 /nfs/dbraw/zinc/69/13/29/529691329.db2.gz VKACMDGFDJHPRG-LBPRGKRZSA-N 1 0 247.382 3.630 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000507163496 226366507 /nfs/dbraw/zinc/36/65/07/226366507.db2.gz GQNXQDJBIXAANI-GHMZBOCLSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000507163497 226366097 /nfs/dbraw/zinc/36/60/97/226366097.db2.gz GQNXQDJBIXAANI-MNOVXSKESA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000507163498 226366502 /nfs/dbraw/zinc/36/65/02/226366502.db2.gz GQNXQDJBIXAANI-QWRGUYRKSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000507163499 226366094 /nfs/dbraw/zinc/36/60/94/226366094.db2.gz GQNXQDJBIXAANI-WDEREUQCSA-N 1 0 223.747 3.743 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000507163932 534038267 /nfs/dbraw/zinc/03/82/67/534038267.db2.gz HVQBMXQSEUNEQF-SECBINFHSA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000507163933 226366434 /nfs/dbraw/zinc/36/64/34/226366434.db2.gz HVQBMXQSEUNEQF-VIFPVBQESA-N 1 0 244.165 3.835 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000507166575 528590439 /nfs/dbraw/zinc/59/04/39/528590439.db2.gz DJHMEGSCVKAPFY-GFCCVEGCSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000507166576 528380410 /nfs/dbraw/zinc/38/04/10/528380410.db2.gz DJHMEGSCVKAPFY-LBPRGKRZSA-N 1 0 223.385 3.759 20 0 BHADRO C[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000507166926 533642860 /nfs/dbraw/zinc/64/28/60/533642860.db2.gz ZWRKFKMGACQQKE-NSHDSACASA-N 1 0 231.364 3.743 20 0 BHADRO CCCCC[N@H+](Cc1ccco1)C(C)C ZINC000507167008 528182343 /nfs/dbraw/zinc/18/23/43/528182343.db2.gz HDKGBWSJMWYNLW-UHFFFAOYSA-N 1 0 209.333 3.680 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000507167130 528590819 /nfs/dbraw/zinc/59/08/19/528590819.db2.gz IQSOYNOYTFHALM-CYBMUJFWSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000507167131 528380075 /nfs/dbraw/zinc/38/00/75/528380075.db2.gz IQSOYNOYTFHALM-ZDUSSCGKSA-N 1 0 223.385 3.759 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000507171388 529345216 /nfs/dbraw/zinc/34/52/16/529345216.db2.gz URFBMSNWAVIQRC-CYBMUJFWSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000507171389 529691135 /nfs/dbraw/zinc/69/11/35/529691135.db2.gz URFBMSNWAVIQRC-ZDUSSCGKSA-N 1 0 205.345 3.534 20 0 BHADRO CC[N@H+](CCc1ccccc1)Cc1ccc(C)o1 ZINC000507171423 528591475 /nfs/dbraw/zinc/59/14/75/528591475.db2.gz VBWSDTIQWUTZFN-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO Clc1ccc([C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000507171995 226366667 /nfs/dbraw/zinc/36/66/67/226366667.db2.gz YLEVHTVUNOOTQN-AWEZNQCLSA-N 1 0 235.758 3.887 20 0 BHADRO Clc1ccc([C@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000507171996 226366745 /nfs/dbraw/zinc/36/67/45/226366745.db2.gz YLEVHTVUNOOTQN-CQSZACIVSA-N 1 0 235.758 3.887 20 0 BHADRO Cc1nocc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000507172196 226366876 /nfs/dbraw/zinc/36/68/76/226366876.db2.gz ZNPABBLWIKDLCB-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Clc1ccccc1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000507176131 534653569 /nfs/dbraw/zinc/65/35/69/534653569.db2.gz XLVYJTUNPGBUHU-AWEZNQCLSA-N 1 0 235.758 3.887 20 0 BHADRO Clc1ccccc1[C@H]1CCC[N@@H+]1CC1CC1 ZINC000507176132 534654182 /nfs/dbraw/zinc/65/41/82/534654182.db2.gz XLVYJTUNPGBUHU-CQSZACIVSA-N 1 0 235.758 3.887 20 0 BHADRO CCC1(C)CC[NH+](CCOc2ccccc2)CC1 ZINC000507179335 529023274 /nfs/dbraw/zinc/02/32/74/529023274.db2.gz JKKAJXBSGFLGSV-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO Cc1sccc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000507186510 226366766 /nfs/dbraw/zinc/36/67/66/226366766.db2.gz FRKUAOXZEGLVQQ-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO CC[N@H+](Cc1occc1C)Cc1ccc(F)cc1 ZINC000507186650 528918124 /nfs/dbraw/zinc/91/81/24/528918124.db2.gz GDRVRBILZMQORE-UHFFFAOYSA-N 1 0 247.313 3.749 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000507186921 533876528 /nfs/dbraw/zinc/87/65/28/533876528.db2.gz APWASIJFFJGHEH-GFCCVEGCSA-N 1 0 223.335 3.610 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000507186923 533878406 /nfs/dbraw/zinc/87/84/06/533878406.db2.gz APWASIJFFJGHEH-LBPRGKRZSA-N 1 0 223.335 3.610 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000507187197 527784684 /nfs/dbraw/zinc/78/46/84/527784684.db2.gz JENPJEDDNCIFMW-LLVKDONJSA-N 1 0 227.735 3.553 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000507187199 528674755 /nfs/dbraw/zinc/67/47/55/528674755.db2.gz JENPJEDDNCIFMW-NSHDSACASA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@@H](C[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000507187473 529472024 /nfs/dbraw/zinc/47/20/24/529472024.db2.gz KIJZKLWETZULGH-KBPBESRZSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](CC)c1ccccc1 ZINC000507187474 529343886 /nfs/dbraw/zinc/34/38/86/529343886.db2.gz KIJZKLWETZULGH-KGLIPLIRSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](CC)c1ccccc1 ZINC000507187475 529690395 /nfs/dbraw/zinc/69/03/95/529690395.db2.gz KIJZKLWETZULGH-UONOGXRCSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](CC)c1ccccc1 ZINC000507187476 529344064 /nfs/dbraw/zinc/34/40/64/529344064.db2.gz KIJZKLWETZULGH-ZIAGYGMSSA-N 1 0 219.372 3.911 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000507187893 529344738 /nfs/dbraw/zinc/34/47/38/529344738.db2.gz NAWWMLVWTMHEDC-LLVKDONJSA-N 1 0 231.339 3.972 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000507187894 529691264 /nfs/dbraw/zinc/69/12/64/529691264.db2.gz NAWWMLVWTMHEDC-NSHDSACASA-N 1 0 231.339 3.972 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000507188569 527785059 /nfs/dbraw/zinc/78/50/59/527785059.db2.gz QFYPCHXELBUMBU-CYBMUJFWSA-N 1 0 239.309 3.585 20 0 BHADRO CCOc1cccc(C[N@H+](CC)CC(C)C)c1 ZINC000507188956 528644293 /nfs/dbraw/zinc/64/42/93/528644293.db2.gz SIUKDHOBUPQNGV-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000507188961 529690569 /nfs/dbraw/zinc/69/05/69/529690569.db2.gz SKFHBEVPALCCKK-AEGPPILISA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000507188962 529691282 /nfs/dbraw/zinc/69/12/82/529691282.db2.gz SKFHBEVPALCCKK-CFVMTHIKSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000507188963 529691394 /nfs/dbraw/zinc/69/13/94/529691394.db2.gz SKFHBEVPALCCKK-NWANDNLSSA-N 1 0 217.356 3.520 20 0 BHADRO COc1ccccc1/C=C\C[N@H+](C)[C@@H](C)C(C)C ZINC000507188973 533956951 /nfs/dbraw/zinc/95/69/51/533956951.db2.gz SMTCBIRTDJAUIT-GDAGCXPBSA-N 1 0 247.382 3.685 20 0 BHADRO COc1ccccc1/C=C/C[N@H+](C)[C@@H](C)C(C)C ZINC000507188974 533948472 /nfs/dbraw/zinc/94/84/72/533948472.db2.gz SMTCBIRTDJAUIT-PLWJUESGSA-N 1 0 247.382 3.685 20 0 BHADRO COc1ccccc1/C=C\C[N@H+](C)[C@H](C)C(C)C ZINC000507188975 533959364 /nfs/dbraw/zinc/95/93/64/533959364.db2.gz SMTCBIRTDJAUIT-QQBNSCQMSA-N 1 0 247.382 3.685 20 0 BHADRO COc1ccccc1/C=C/C[N@H+](C)[C@H](C)C(C)C ZINC000507188976 533946292 /nfs/dbraw/zinc/94/62/92/533946292.db2.gz SMTCBIRTDJAUIT-QSYFUGGGSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000507189016 528959263 /nfs/dbraw/zinc/95/92/63/528959263.db2.gz SUYTVJPTZPOGDE-CWRNSKLLSA-N 1 0 231.383 3.766 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000507189017 528959818 /nfs/dbraw/zinc/95/98/18/528959818.db2.gz SUYTVJPTZPOGDE-IMJJTQAJSA-N 1 0 231.383 3.766 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000507189018 528959109 /nfs/dbraw/zinc/95/91/09/528959109.db2.gz SUYTVJPTZPOGDE-NUEKZKHPSA-N 1 0 231.383 3.766 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000507189314 528406758 /nfs/dbraw/zinc/40/67/58/528406758.db2.gz ADCARRHTTFHVTC-CFHLNLSMSA-N 1 0 235.346 3.815 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000507189315 528958484 /nfs/dbraw/zinc/95/84/84/528958484.db2.gz ADCARRHTTFHVTC-GFUIURDCSA-N 1 0 235.346 3.815 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000507189316 528957589 /nfs/dbraw/zinc/95/75/89/528957589.db2.gz ADCARRHTTFHVTC-SZZPACECSA-N 1 0 235.346 3.815 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000507189317 528406261 /nfs/dbraw/zinc/40/62/61/528406261.db2.gz ADCARRHTTFHVTC-URWSZGRFSA-N 1 0 235.346 3.815 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000507189486 529691406 /nfs/dbraw/zinc/69/14/06/529691406.db2.gz VQNAYOKIBOFKPQ-JTQLQIEISA-N 1 0 235.302 3.802 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000507189487 529345103 /nfs/dbraw/zinc/34/51/03/529345103.db2.gz VQNAYOKIBOFKPQ-SNVBAGLBSA-N 1 0 235.302 3.802 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000507189976 528674225 /nfs/dbraw/zinc/67/42/25/528674225.db2.gz XOUKANLYJJWABU-AWEZNQCLSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000507189977 527784014 /nfs/dbraw/zinc/78/40/14/527784014.db2.gz XOUKANLYJJWABU-CQSZACIVSA-N 1 0 239.309 3.585 20 0 BHADRO CCCC[N@H+](Cc1cccc(COC)c1)C1CC1 ZINC000507190793 528441435 /nfs/dbraw/zinc/44/14/35/528441435.db2.gz FQUVZLQYALKZHK-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000507191834 528406556 /nfs/dbraw/zinc/40/65/56/528406556.db2.gz PPXWSIUFIVIIMZ-SECBINFHSA-N 1 0 245.288 3.580 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000507191835 528959960 /nfs/dbraw/zinc/95/99/60/528959960.db2.gz PPXWSIUFIVIIMZ-VIFPVBQESA-N 1 0 245.288 3.580 20 0 BHADRO CC(C)C[N@H+](Cc1ccco1)CC(C)(C)C ZINC000507192871 527948785 /nfs/dbraw/zinc/94/87/85/527948785.db2.gz SUMJGGLVGGQLNS-UHFFFAOYSA-N 1 0 223.360 3.784 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)C(C)C ZINC000507193349 534469920 /nfs/dbraw/zinc/46/99/20/534469920.db2.gz NYDKAWIDCJGVPC-LLVKDONJSA-N 1 0 211.374 3.533 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000507193350 534468639 /nfs/dbraw/zinc/46/86/39/534468639.db2.gz NYDKAWIDCJGVPC-NSHDSACASA-N 1 0 211.374 3.533 20 0 BHADRO CCCC[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC000507193652 528441968 /nfs/dbraw/zinc/44/19/68/528441968.db2.gz OTOIJSHKEVTQFV-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000507193908 528959991 /nfs/dbraw/zinc/95/99/91/528959991.db2.gz VRMFXQBYKVTMDY-DYEKYZERSA-N 1 0 235.371 3.879 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000507193909 528959980 /nfs/dbraw/zinc/95/99/80/528959980.db2.gz VRMFXQBYKVTMDY-MBNYWOFBSA-N 1 0 235.371 3.879 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000507193910 528959297 /nfs/dbraw/zinc/95/92/97/528959297.db2.gz VRMFXQBYKVTMDY-OBJOEFQTSA-N 1 0 235.371 3.879 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000507193911 528959565 /nfs/dbraw/zinc/95/95/65/528959565.db2.gz VRMFXQBYKVTMDY-SGMGOOAPSA-N 1 0 235.371 3.879 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000507193971 226367000 /nfs/dbraw/zinc/36/70/00/226367000.db2.gz WNFQRGFWTBNTDP-JTQLQIEISA-N 1 0 211.374 3.533 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000507193972 226367277 /nfs/dbraw/zinc/36/72/77/226367277.db2.gz WNFQRGFWTBNTDP-SNVBAGLBSA-N 1 0 211.374 3.533 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccccn2)cc1 ZINC000507194356 226367204 /nfs/dbraw/zinc/36/72/04/226367204.db2.gz XKFAASIQXDYZNT-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccn2)cc1 ZINC000507194357 226367033 /nfs/dbraw/zinc/36/70/33/226367033.db2.gz XKFAASIQXDYZNT-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC000507195184 226367279 /nfs/dbraw/zinc/36/72/79/226367279.db2.gz IHUWQGKRPAACBT-HNNXBMFYSA-N 1 0 231.383 3.830 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC000507195191 226366976 /nfs/dbraw/zinc/36/69/76/226366976.db2.gz IHUWQGKRPAACBT-OAHLLOKOSA-N 1 0 231.383 3.830 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccccc2F)CC1 ZINC000507197390 529022922 /nfs/dbraw/zinc/02/29/22/529022922.db2.gz QDGPKAURBJNNOX-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CC(C)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507198348 527958245 /nfs/dbraw/zinc/95/82/45/527958245.db2.gz VUMCYOALXFISMV-UHFFFAOYSA-N 1 0 249.373 3.736 20 0 BHADRO CCC1(C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000507198371 529022320 /nfs/dbraw/zinc/02/23/20/529022320.db2.gz VYRKADJVRIDMIR-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000507200879 528407529 /nfs/dbraw/zinc/40/75/29/528407529.db2.gz DWFHFLHJJHKABR-GFCCVEGCSA-N 1 0 230.355 3.644 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000507200880 528959253 /nfs/dbraw/zinc/95/92/53/528959253.db2.gz DWFHFLHJJHKABR-LBPRGKRZSA-N 1 0 230.355 3.644 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1F ZINC000507206798 226367093 /nfs/dbraw/zinc/36/70/93/226367093.db2.gz ALOYPTMMSSJQGZ-GFCCVEGCSA-N 1 0 223.335 3.610 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1F ZINC000507206799 226367157 /nfs/dbraw/zinc/36/71/57/226367157.db2.gz ALOYPTMMSSJQGZ-LBPRGKRZSA-N 1 0 223.335 3.610 20 0 BHADRO CC[N@H+](Cc1cc(C)cc(Cl)c1)C1CC1 ZINC000507207337 528764747 /nfs/dbraw/zinc/76/47/47/528764747.db2.gz BTMRRWFLOCCJFY-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000507208078 226367074 /nfs/dbraw/zinc/36/70/74/226367074.db2.gz GAIVNMPKTIFYGJ-JTQLQIEISA-N 1 0 243.272 3.680 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000507208080 226367246 /nfs/dbraw/zinc/36/72/46/226367246.db2.gz GAIVNMPKTIFYGJ-SNVBAGLBSA-N 1 0 243.272 3.680 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000507208999 528407368 /nfs/dbraw/zinc/40/73/68/528407368.db2.gz GUUQHWGOOAYXCL-GFCCVEGCSA-N 1 0 230.355 3.644 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000507209330 528959402 /nfs/dbraw/zinc/95/94/02/528959402.db2.gz GUUQHWGOOAYXCL-LBPRGKRZSA-N 1 0 230.355 3.644 20 0 BHADRO CCC1(C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000507211824 529023684 /nfs/dbraw/zinc/02/36/84/529023684.db2.gz VEDLQWZTLRDHHZ-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CCCC[N@H+](Cc1ccsc1C)C1CC1 ZINC000507211995 528446184 /nfs/dbraw/zinc/44/61/84/528446184.db2.gz NNQZNWLHFDAQEJ-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@H+](C)Cc1ccoc1 ZINC000507212024 533673543 /nfs/dbraw/zinc/67/35/43/533673543.db2.gz NOXJSMYSWFBMDU-AWEZNQCLSA-N 1 0 243.350 3.733 20 0 BHADRO C[C@H](CCc1ccccc1)[N@H+](C)Cc1ccoc1 ZINC000507212025 533993677 /nfs/dbraw/zinc/99/36/77/533993677.db2.gz NOXJSMYSWFBMDU-CQSZACIVSA-N 1 0 243.350 3.733 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000507213124 528406588 /nfs/dbraw/zinc/40/65/88/528406588.db2.gz PMOUJXMXYSDLCN-SECBINFHSA-N 1 0 245.288 3.580 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000507213126 528958923 /nfs/dbraw/zinc/95/89/23/528958923.db2.gz PMOUJXMXYSDLCN-VIFPVBQESA-N 1 0 245.288 3.580 20 0 BHADRO CCC[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000507215474 528148720 /nfs/dbraw/zinc/14/87/20/528148720.db2.gz SDJLFLDJKCBWKN-UHFFFAOYSA-N 1 0 247.313 3.831 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC2CC2)c1 ZINC000507218023 533710863 /nfs/dbraw/zinc/71/08/63/533710863.db2.gz ZABNXKOEMDCYIU-CYBMUJFWSA-N 1 0 217.356 3.706 20 0 BHADRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC2CC2)c1 ZINC000507218024 226367450 /nfs/dbraw/zinc/36/74/50/226367450.db2.gz ZABNXKOEMDCYIU-ZDUSSCGKSA-N 1 0 217.356 3.706 20 0 BHADRO CCCC[N@H+](Cc1ccccc1N(C)C)C1CC1 ZINC000507220842 528445958 /nfs/dbraw/zinc/44/59/58/528445958.db2.gz AKPLOEYRSHRYGU-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CC[N@H+](Cc1cc2ccccc2s1)C1CC1 ZINC000507220948 528768590 /nfs/dbraw/zinc/76/85/90/528768590.db2.gz CBAQXJVUWVVEQY-UHFFFAOYSA-N 1 0 231.364 3.886 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000507221071 528642618 /nfs/dbraw/zinc/64/26/18/528642618.db2.gz DYWPJSLHYZBYQL-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO CCOc1cccc(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000507221072 528643060 /nfs/dbraw/zinc/64/30/60/528643060.db2.gz DYWPJSLHYZBYQL-ZDUSSCGKSA-N 1 0 235.371 3.562 20 0 BHADRO CC[C@H](C[N@H+](CC)C1CC1)c1ccccc1 ZINC000507221195 529333881 /nfs/dbraw/zinc/33/38/81/529333881.db2.gz GQTIRVPVEPESJO-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](C[N@H+](CC)C1CC1)c1ccccc1 ZINC000507221196 529472480 /nfs/dbraw/zinc/47/24/80/529472480.db2.gz GQTIRVPVEPESJO-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000507221199 527871364 /nfs/dbraw/zinc/87/13/64/527871364.db2.gz GRCATUJVFFKPHW-ARJAWSKDSA-N 1 0 235.758 3.838 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000507221200 527870929 /nfs/dbraw/zinc/87/09/29/527870929.db2.gz GRCATUJVFFKPHW-ONEGZZNKSA-N 1 0 235.758 3.838 20 0 BHADRO 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ZINC000507225430 528136673 /nfs/dbraw/zinc/13/66/73/528136673.db2.gz CZDZNGZYAMRZAI-UHFFFAOYSA-N 1 0 229.776 3.776 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000507225503 226367690 /nfs/dbraw/zinc/36/76/90/226367690.db2.gz DIRAIRLZZPWAPP-GFCCVEGCSA-N 1 0 223.335 3.610 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000507225505 226367558 /nfs/dbraw/zinc/36/75/58/226367558.db2.gz DIRAIRLZZPWAPP-LBPRGKRZSA-N 1 0 223.335 3.610 20 0 BHADRO CC[N@@H+](Cc1ccsc1C)CC(C)C ZINC000507225687 528862662 /nfs/dbraw/zinc/86/26/62/528862662.db2.gz AYNLPMIKYZZNEJ-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CCC[N@H+](Cc1ccccc1OC(C)C)C1CC1 ZINC000507227970 528148524 /nfs/dbraw/zinc/14/85/24/528148524.db2.gz JNWGVZITZBJEAX-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[N@H+](Cc1cc(C)c(C)cc1C)C1CC1 ZINC000507227991 528765103 /nfs/dbraw/zinc/76/51/03/528765103.db2.gz JPQMKWJMLYFMIG-UHFFFAOYSA-N 1 0 217.356 3.596 20 0 BHADRO CCC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000507228500 528129403 /nfs/dbraw/zinc/12/94/03/528129403.db2.gz GSRKAUDIRIZONN-GDBMZVCRSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000507228501 528124651 /nfs/dbraw/zinc/12/46/51/528124651.db2.gz GSRKAUDIRIZONN-GOEBONIOSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000507228503 528129902 /nfs/dbraw/zinc/12/99/02/528129902.db2.gz GSRKAUDIRIZONN-ZBFHGGJFSA-N 1 0 229.367 3.665 20 0 BHADRO CCCC[N@H+](Cc1sccc1OC)C1CC1 ZINC000507228537 528447442 /nfs/dbraw/zinc/44/74/42/528447442.db2.gz GWZDBAJHELIVAZ-UHFFFAOYSA-N 1 0 239.384 3.521 20 0 BHADRO CCC[N@H+](Cc1cnc(C(C)C)s1)C1CC1 ZINC000507229074 528151326 /nfs/dbraw/zinc/15/13/26/528151326.db2.gz HPJZFOKSAHBYPC-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCCC[N@H+](Cc1ccc(C)s1)C1CC1 ZINC000507229193 528442481 /nfs/dbraw/zinc/44/24/81/528442481.db2.gz IGXWDUFEJTWWSY-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO CC[N@H+](Cc1ccc(OCC(C)C)cc1)C1CC1 ZINC000507230393 528796161 /nfs/dbraw/zinc/79/61/61/528796161.db2.gz JXPRKJMKJCQXFA-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[N@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000507231380 528131342 /nfs/dbraw/zinc/13/13/42/528131342.db2.gz LOBIPDFETZVJDM-UHFFFAOYSA-N 1 0 247.313 3.946 20 0 BHADRO CCC[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000507231566 527869402 /nfs/dbraw/zinc/86/94/02/527869402.db2.gz QJJIWNAPPGWFCC-RMKNXTFCSA-N 1 0 215.340 3.574 20 0 BHADRO CCC[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000507231567 527869433 /nfs/dbraw/zinc/86/94/33/527869433.db2.gz QJJIWNAPPGWFCC-TWGQIWQCSA-N 1 0 215.340 3.574 20 0 BHADRO CCC[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000507231578 528138733 /nfs/dbraw/zinc/13/87/33/528138733.db2.gz QLNMAVACTKONHS-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[N@H+](Cc1c(C)oc2ccccc21)C1CC1 ZINC000507231602 528757076 /nfs/dbraw/zinc/75/70/76/528757076.db2.gz QOIXAULEGWTXFZ-UHFFFAOYSA-N 1 0 229.323 3.726 20 0 BHADRO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(C)C)s1 ZINC000507232003 528346968 /nfs/dbraw/zinc/34/69/68/528346968.db2.gz NCTQUSDQXWYYNF-LLVKDONJSA-N 1 0 240.416 3.743 20 0 BHADRO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(C)C)s1 ZINC000507232004 528348243 /nfs/dbraw/zinc/34/82/43/528348243.db2.gz NCTQUSDQXWYYNF-NSHDSACASA-N 1 0 240.416 3.743 20 0 BHADRO CCC[N@H+](Cc1ccc(SC)cc1)C1CC1 ZINC000507232822 528139574 /nfs/dbraw/zinc/13/95/74/528139574.db2.gz TWZOXEIHZSAWRD-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CC[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000507233347 528770498 /nfs/dbraw/zinc/77/04/98/528770498.db2.gz UTRRTNHKFHZFBX-UHFFFAOYSA-N 1 0 241.334 3.931 20 0 BHADRO CCC[N@H+](Cc1ccc(F)c(C)c1)C1CC1 ZINC000507233452 528136884 /nfs/dbraw/zinc/13/68/84/528136884.db2.gz VHQBVXJEXFNOJM-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO CC[N@H+](Cc1ccsc1C)C1CCCC1 ZINC000507234959 528864211 /nfs/dbraw/zinc/86/42/11/528864211.db2.gz YJPLXAOQTAFFRR-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO CCC[N@H+](Cc1cccc(Cl)c1F)C1CC1 ZINC000507235348 528141424 /nfs/dbraw/zinc/14/14/24/528141424.db2.gz 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AKCDPRYXIGWJEN-OTTFEQOBSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000507434005 226368983 /nfs/dbraw/zinc/36/89/83/226368983.db2.gz ORAHCAWMUMTSEH-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000507434007 226369002 /nfs/dbraw/zinc/36/90/02/226369002.db2.gz ORAHCAWMUMTSEH-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)C2CC2)c1C ZINC000507434745 324170389 /nfs/dbraw/zinc/17/03/89/324170389.db2.gz SZUVYRBHUBBGTE-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)C2CC2)c1C ZINC000507434746 324170272 /nfs/dbraw/zinc/17/02/72/324170272.db2.gz SZUVYRBHUBBGTE-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO CC(C)CCn1cccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000507435063 324170354 /nfs/dbraw/zinc/17/03/54/324170354.db2.gz VNRMIIDCYHECDR-AWEZNQCLSA-N 1 0 248.414 3.765 20 0 BHADRO CC(C)CCn1cccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000507435064 324170291 /nfs/dbraw/zinc/17/02/91/324170291.db2.gz VNRMIIDCYHECDR-CQSZACIVSA-N 1 0 248.414 3.765 20 0 BHADRO COc1c(C)cc(C[N@H+](C)[C@H](C)C2CC2)cc1C ZINC000507435380 324170397 /nfs/dbraw/zinc/17/03/97/324170397.db2.gz XJRFFIVMKRDQQW-CYBMUJFWSA-N 1 0 247.382 3.542 20 0 BHADRO COc1c(C)cc(C[N@H+](C)[C@@H](C)C2CC2)cc1C ZINC000507435381 324170227 /nfs/dbraw/zinc/17/02/27/324170227.db2.gz XJRFFIVMKRDQQW-ZDUSSCGKSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c(C)c1 ZINC000507439465 324170249 /nfs/dbraw/zinc/17/02/49/324170249.db2.gz DQVZMKIZIRWUOQ-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c(C)c1 ZINC000507439467 324170360 /nfs/dbraw/zinc/17/03/60/324170360.db2.gz DQVZMKIZIRWUOQ-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO CC(C)COCCC[NH+](CC(C)C)CC(C)C ZINC000507439478 324170315 /nfs/dbraw/zinc/17/03/15/324170315.db2.gz GBTBCBXRFBCUDZ-UHFFFAOYSA-N 1 0 243.435 3.663 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000507439777 324170374 /nfs/dbraw/zinc/17/03/74/324170374.db2.gz FUEGXHVLTXKURA-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000507439779 324170239 /nfs/dbraw/zinc/17/02/39/324170239.db2.gz FUEGXHVLTXKURA-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1C ZINC000507440487 324170310 /nfs/dbraw/zinc/17/03/10/324170310.db2.gz HUCAOWCGTFCRMS-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1C ZINC000507440488 324170880 /nfs/dbraw/zinc/17/08/80/324170880.db2.gz HUCAOWCGTFCRMS-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C1CC1 ZINC000507440600 324170254 /nfs/dbraw/zinc/17/02/54/324170254.db2.gz JQCOKXBYUKZBRK-LLVKDONJSA-N 1 0 243.350 3.972 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000507440601 324170854 /nfs/dbraw/zinc/17/08/54/324170854.db2.gz JQCOKXBYUKZBRK-NSHDSACASA-N 1 0 243.350 3.972 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000507441298 388384699 /nfs/dbraw/zinc/38/46/99/388384699.db2.gz MIDXZYOGMOZMSI-CMPYXILNSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000507441299 388384370 /nfs/dbraw/zinc/38/43/70/388384370.db2.gz MIDXZYOGMOZMSI-FZDNWWAKSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H](C)C1CC1 ZINC000507441300 388384196 /nfs/dbraw/zinc/38/41/96/388384196.db2.gz MIDXZYOGMOZMSI-YBEMTRGBSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)C1CC1 ZINC000507441301 388384775 /nfs/dbraw/zinc/38/47/75/388384775.db2.gz MIDXZYOGMOZMSI-YPDDLIOESA-N 1 0 229.367 3.820 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000507441770 388384656 /nfs/dbraw/zinc/38/46/56/388384656.db2.gz OUTBBPQGGMCESS-DAXOMENPSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000507441773 388384223 /nfs/dbraw/zinc/38/42/23/388384223.db2.gz OUTBBPQGGMCESS-UHOFOFEASA-N 1 0 229.367 3.520 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000507441775 388384770 /nfs/dbraw/zinc/38/47/70/388384770.db2.gz OUTBBPQGGMCESS-WQVCFCJDSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000507443653 388384325 /nfs/dbraw/zinc/38/43/25/388384325.db2.gz UCRZZTHCWGRTDE-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000507443655 388384268 /nfs/dbraw/zinc/38/42/68/388384268.db2.gz UCRZZTHCWGRTDE-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CC[C@H]([NH2+]CC1(OC)CCC1)C1CCCCC1 ZINC000507446475 388384634 /nfs/dbraw/zinc/38/46/34/388384634.db2.gz DUMPIBSHGACZDM-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CC1(OC)CCC1)C1CCCCC1 ZINC000507446476 529157604 /nfs/dbraw/zinc/15/76/04/529157604.db2.gz DUMPIBSHGACZDM-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000507449001 388384639 /nfs/dbraw/zinc/38/46/39/388384639.db2.gz FAHRQYDRHLLYRG-KBPBESRZSA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@@H](C[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000507449002 388384662 /nfs/dbraw/zinc/38/46/62/388384662.db2.gz FAHRQYDRHLLYRG-KGLIPLIRSA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000507449003 388384132 /nfs/dbraw/zinc/38/41/32/388384132.db2.gz FAHRQYDRHLLYRG-UONOGXRCSA-N 1 0 231.383 3.911 20 0 BHADRO CC[C@H](C[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000507449004 388384360 /nfs/dbraw/zinc/38/43/60/388384360.db2.gz FAHRQYDRHLLYRG-ZIAGYGMSSA-N 1 0 231.383 3.911 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000507449279 388384473 /nfs/dbraw/zinc/38/44/73/388384473.db2.gz GXJDAFLOFHUBRG-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000507449282 388384070 /nfs/dbraw/zinc/38/40/70/388384070.db2.gz GXJDAFLOFHUBRG-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1F ZINC000507449701 388384549 /nfs/dbraw/zinc/38/45/49/388384549.db2.gz IIOZELJOJROGHI-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1F ZINC000507449702 388384446 /nfs/dbraw/zinc/38/44/46/388384446.db2.gz IIOZELJOJROGHI-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000507452484 388384181 /nfs/dbraw/zinc/38/41/81/388384181.db2.gz VVVMJNKTKTZTEM-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000507452485 388384435 /nfs/dbraw/zinc/38/44/35/388384435.db2.gz VVVMJNKTKTZTEM-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000507463105 388385274 /nfs/dbraw/zinc/38/52/74/388385274.db2.gz QZWHTQNUUJIOFL-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000507463106 388385309 /nfs/dbraw/zinc/38/53/09/388385309.db2.gz QZWHTQNUUJIOFL-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000507464703 259512647 /nfs/dbraw/zinc/51/26/47/259512647.db2.gz YIAWJQALDMUYEO-NEPJUHHUSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000507464704 388385315 /nfs/dbraw/zinc/38/53/15/388385315.db2.gz YIAWJQALDMUYEO-NWDGAFQWSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000507464705 259512860 /nfs/dbraw/zinc/51/28/60/259512860.db2.gz YIAWJQALDMUYEO-RYUDHWBXSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000507464706 388385197 /nfs/dbraw/zinc/38/51/97/388385197.db2.gz YIAWJQALDMUYEO-VXGBXAGGSA-N 1 0 249.320 3.887 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000507468772 529621418 /nfs/dbraw/zinc/62/14/18/529621418.db2.gz IIVZXGKXVNHDTJ-GFCCVEGCSA-N 1 0 232.371 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1CCCCC1 ZINC000507468775 529623162 /nfs/dbraw/zinc/62/31/62/529623162.db2.gz IIVZXGKXVNHDTJ-LBPRGKRZSA-N 1 0 232.371 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000507469088 529624040 /nfs/dbraw/zinc/62/40/40/529624040.db2.gz JHCWEJWYLNIRAD-IPYPFGDCSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000507469089 529623783 /nfs/dbraw/zinc/62/37/83/529623783.db2.gz JHCWEJWYLNIRAD-KCQAQPDRSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000507469090 529623779 /nfs/dbraw/zinc/62/37/79/529623779.db2.gz JHCWEJWYLNIRAD-VNHYZAJKSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000507469091 529623583 /nfs/dbraw/zinc/62/35/83/529623583.db2.gz JHCWEJWYLNIRAD-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000507469495 529624046 /nfs/dbraw/zinc/62/40/46/529624046.db2.gz KLNRXHBLPXXHFX-GXTWGEPZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000507469496 529623788 /nfs/dbraw/zinc/62/37/88/529623788.db2.gz KLNRXHBLPXXHFX-JSGCOSHPSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000507469500 529622085 /nfs/dbraw/zinc/62/20/85/529622085.db2.gz KLNRXHBLPXXHFX-OCCSQVGLSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000507469501 529622107 /nfs/dbraw/zinc/62/21/07/529622107.db2.gz KLNRXHBLPXXHFX-TZMCWYRMSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000507469831 529622089 /nfs/dbraw/zinc/62/20/89/529622089.db2.gz LIPUQQMMCGZJFA-CHWSQXEVSA-N 1 0 234.387 3.587 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000507469832 529623417 /nfs/dbraw/zinc/62/34/17/529623417.db2.gz LIPUQQMMCGZJFA-OLZOCXBDSA-N 1 0 234.387 3.587 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000507469833 529622700 /nfs/dbraw/zinc/62/27/00/529622700.db2.gz LIPUQQMMCGZJFA-QWHCGFSZSA-N 1 0 234.387 3.587 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000507469834 529623139 /nfs/dbraw/zinc/62/31/39/529623139.db2.gz LIPUQQMMCGZJFA-STQMWFEESA-N 1 0 234.387 3.587 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000507471080 529623552 /nfs/dbraw/zinc/62/35/52/529623552.db2.gz OBMJQQMUXQQHIS-AGIUHOORSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000507471081 529623769 /nfs/dbraw/zinc/62/37/69/529623769.db2.gz OBMJQQMUXQQHIS-AVGNSLFASA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000507471083 529623924 /nfs/dbraw/zinc/62/39/24/529623924.db2.gz OBMJQQMUXQQHIS-UPJWGTAASA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000507471084 529623895 /nfs/dbraw/zinc/62/38/95/529623895.db2.gz OBMJQQMUXQQHIS-XQQFMLRXSA-N 1 0 234.387 3.729 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507472583 226369098 /nfs/dbraw/zinc/36/90/98/226369098.db2.gz RFVNNADXIPYIHJ-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507472584 226369187 /nfs/dbraw/zinc/36/91/87/226369187.db2.gz RFVNNADXIPYIHJ-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507472585 226369151 /nfs/dbraw/zinc/36/91/51/226369151.db2.gz RFVNNADXIPYIHJ-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507472586 226369110 /nfs/dbraw/zinc/36/91/10/226369110.db2.gz RFVNNADXIPYIHJ-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000507473558 529621636 /nfs/dbraw/zinc/62/16/36/529621636.db2.gz VFPHJHJUAUTFOG-CYBMUJFWSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000507473559 529623014 /nfs/dbraw/zinc/62/30/14/529623014.db2.gz VFPHJHJUAUTFOG-ZDUSSCGKSA-N 1 0 246.398 3.731 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507477897 527706433 /nfs/dbraw/zinc/70/64/33/527706433.db2.gz LPXDPLZIXSMOTF-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507477898 527706393 /nfs/dbraw/zinc/70/63/93/527706393.db2.gz LPXDPLZIXSMOTF-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507477899 527706340 /nfs/dbraw/zinc/70/63/40/527706340.db2.gz LPXDPLZIXSMOTF-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507477900 527706355 /nfs/dbraw/zinc/70/63/55/527706355.db2.gz LPXDPLZIXSMOTF-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000507487580 528465201 /nfs/dbraw/zinc/46/52/01/528465201.db2.gz RMSWJXABVGKKOH-AJNGGQMLSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000507487583 528464920 /nfs/dbraw/zinc/46/49/20/528464920.db2.gz RMSWJXABVGKKOH-BYNSBNAKSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000507487584 528464776 /nfs/dbraw/zinc/46/47/76/528464776.db2.gz RMSWJXABVGKKOH-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000507487585 528464805 /nfs/dbraw/zinc/46/48/05/528464805.db2.gz RMSWJXABVGKKOH-ZQDZILKHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000507487719 528465117 /nfs/dbraw/zinc/46/51/17/528465117.db2.gz RVHSRGZQVLKGSA-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000507487720 528463362 /nfs/dbraw/zinc/46/33/62/528463362.db2.gz RVHSRGZQVLKGSA-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000507487721 528464290 /nfs/dbraw/zinc/46/42/90/528464290.db2.gz RVHSRGZQVLKGSA-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000507487722 528463704 /nfs/dbraw/zinc/46/37/04/528463704.db2.gz RVHSRGZQVLKGSA-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507489188 528928114 /nfs/dbraw/zinc/92/81/14/528928114.db2.gz ZGPQCZVHCIWDRP-ILXRZTDVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507489189 528927913 /nfs/dbraw/zinc/92/79/13/528927913.db2.gz ZGPQCZVHCIWDRP-KFWWJZLASA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507489191 528928068 /nfs/dbraw/zinc/92/80/68/528928068.db2.gz ZGPQCZVHCIWDRP-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507489193 528927333 /nfs/dbraw/zinc/92/73/33/528927333.db2.gz ZGPQCZVHCIWDRP-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ncccc1CC ZINC000507490090 528924421 /nfs/dbraw/zinc/92/44/21/528924421.db2.gz ZMNAFAMCGOOWGJ-GXTWGEPZSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ncccc1CC ZINC000507490091 528106918 /nfs/dbraw/zinc/10/69/18/528106918.db2.gz ZMNAFAMCGOOWGJ-JSGCOSHPSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ncccc1CC ZINC000507490092 528106783 /nfs/dbraw/zinc/10/67/83/528106783.db2.gz ZMNAFAMCGOOWGJ-OCCSQVGLSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ncccc1CC ZINC000507490093 528924096 /nfs/dbraw/zinc/92/40/96/528924096.db2.gz ZMNAFAMCGOOWGJ-TZMCWYRMSA-N 1 0 234.387 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000507493269 529621531 /nfs/dbraw/zinc/62/15/31/529621531.db2.gz HEEMTGTUONMKNZ-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000507493271 529623412 /nfs/dbraw/zinc/62/34/12/529623412.db2.gz HEEMTGTUONMKNZ-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccsc1C ZINC000507494556 529650773 /nfs/dbraw/zinc/65/07/73/529650773.db2.gz XVOMGHPNEXDMDK-JTQLQIEISA-N 1 0 211.374 3.534 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccsc1C ZINC000507494562 529314237 /nfs/dbraw/zinc/31/42/37/529314237.db2.gz XVOMGHPNEXDMDK-SNVBAGLBSA-N 1 0 211.374 3.534 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000507499545 529622087 /nfs/dbraw/zinc/62/20/87/529622087.db2.gz ZBARGMYPMJBRLV-UMVBOHGHSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000507499547 529624003 /nfs/dbraw/zinc/62/40/03/529624003.db2.gz ZBARGMYPMJBRLV-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO Cc1sccc1C[N@@H+](CC(C)C)C(C)C ZINC000507502555 226369280 /nfs/dbraw/zinc/36/92/80/226369280.db2.gz CHEVQLKMYAHJGW-UHFFFAOYSA-N 1 0 225.401 3.923 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ncccc2CC)CC1 ZINC000507504579 528062692 /nfs/dbraw/zinc/06/26/92/528062692.db2.gz COUBJYYNIQGRFG-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ncccc2CC)CC1 ZINC000507504581 528062722 /nfs/dbraw/zinc/06/27/22/528062722.db2.gz COUBJYYNIQGRFG-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCCC(C)C ZINC000507506725 529622198 /nfs/dbraw/zinc/62/21/98/529622198.db2.gz HHKGRCWWGSAZCA-CYBMUJFWSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCCC(C)C ZINC000507506726 529623381 /nfs/dbraw/zinc/62/33/81/529623381.db2.gz HHKGRCWWGSAZCA-ZDUSSCGKSA-N 1 0 234.387 3.731 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000507506821 528465027 /nfs/dbraw/zinc/46/50/27/528465027.db2.gz GUWPPADQIQXAKV-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000507506822 528463271 /nfs/dbraw/zinc/46/32/71/528463271.db2.gz GUWPPADQIQXAKV-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000507506823 528464666 /nfs/dbraw/zinc/46/46/66/528464666.db2.gz GUWPPADQIQXAKV-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000507506824 528463160 /nfs/dbraw/zinc/46/31/60/528463160.db2.gz GUWPPADQIQXAKV-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC(CC)CC ZINC000507507291 490267632 /nfs/dbraw/zinc/26/76/32/490267632.db2.gz HRWUSSIJKZJSFC-GFCCVEGCSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC(CC)CC ZINC000507507293 490267625 /nfs/dbraw/zinc/26/76/25/490267625.db2.gz HRWUSSIJKZJSFC-LBPRGKRZSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000507507612 529623857 /nfs/dbraw/zinc/62/38/57/529623857.db2.gz ILBOJBGTASNCOY-GUTXKFCHSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000507507616 529623919 /nfs/dbraw/zinc/62/39/19/529623919.db2.gz ILBOJBGTASNCOY-GZBFAFLISA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000507507618 529623562 /nfs/dbraw/zinc/62/35/62/529623562.db2.gz ILBOJBGTASNCOY-KCQAQPDRSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000507507620 529623570 /nfs/dbraw/zinc/62/35/70/529623570.db2.gz ILBOJBGTASNCOY-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000507508223 529622701 /nfs/dbraw/zinc/62/27/01/529622701.db2.gz IUHZIXNQVNVFAP-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000507508227 529623156 /nfs/dbraw/zinc/62/31/56/529623156.db2.gz IUHZIXNQVNVFAP-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000507509371 529623898 /nfs/dbraw/zinc/62/38/98/529623898.db2.gz LJGNSUYFRLCOOW-IPYPFGDCSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000507509372 529623798 /nfs/dbraw/zinc/62/37/98/529623798.db2.gz LJGNSUYFRLCOOW-KCQAQPDRSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000507509373 529623815 /nfs/dbraw/zinc/62/38/15/529623815.db2.gz LJGNSUYFRLCOOW-VNHYZAJKSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000507509602 529623650 /nfs/dbraw/zinc/62/36/50/529623650.db2.gz LJGNSUYFRLCOOW-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO c1cc(C[NH2+]C2CCC2)cc(OC2CCCC2)c1 ZINC000507510224 226369326 /nfs/dbraw/zinc/36/93/26/226369326.db2.gz MQCQBHWZUHDKGN-UHFFFAOYSA-N 1 0 245.366 3.650 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)[C@H]1CCCOC1 ZINC000507510326 226369418 /nfs/dbraw/zinc/36/94/18/226369418.db2.gz MLQVNBTVUVAVPH-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)[C@H]1CCCOC1 ZINC000507510327 226369260 /nfs/dbraw/zinc/36/92/60/226369260.db2.gz MLQVNBTVUVAVPH-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)[C@@H]1CCCOC1 ZINC000507510330 226369394 /nfs/dbraw/zinc/36/93/94/226369394.db2.gz MLQVNBTVUVAVPH-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)[C@@H]1CCCOC1 ZINC000507510331 226369322 /nfs/dbraw/zinc/36/93/22/226369322.db2.gz MLQVNBTVUVAVPH-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000507513828 529624007 /nfs/dbraw/zinc/62/40/07/529624007.db2.gz RQQNXYUORQYNRO-GXTWGEPZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000507513829 529623802 /nfs/dbraw/zinc/62/38/02/529623802.db2.gz RQQNXYUORQYNRO-JSGCOSHPSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000507513830 529622266 /nfs/dbraw/zinc/62/22/66/529622266.db2.gz RQQNXYUORQYNRO-OCCSQVGLSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000507513832 529622143 /nfs/dbraw/zinc/62/21/43/529622143.db2.gz RQQNXYUORQYNRO-TZMCWYRMSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000507514017 529622137 /nfs/dbraw/zinc/62/21/37/529622137.db2.gz SOJIICUVEVKLDS-CHWSQXEVSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000507514018 529623549 /nfs/dbraw/zinc/62/35/49/529623549.db2.gz SOJIICUVEVKLDS-OLZOCXBDSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000507514019 529622547 /nfs/dbraw/zinc/62/25/47/529622547.db2.gz SOJIICUVEVKLDS-QWHCGFSZSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000507514020 529623367 /nfs/dbraw/zinc/62/33/67/529623367.db2.gz SOJIICUVEVKLDS-STQMWFEESA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000507517090 529623003 /nfs/dbraw/zinc/62/30/03/529623003.db2.gz XFVZHKTZWNPBQQ-KBPBESRZSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000507517091 529622678 /nfs/dbraw/zinc/62/26/78/529622678.db2.gz XFVZHKTZWNPBQQ-KGLIPLIRSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000507517092 529622886 /nfs/dbraw/zinc/62/28/86/529622886.db2.gz XFVZHKTZWNPBQQ-UONOGXRCSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000507517093 529622569 /nfs/dbraw/zinc/62/25/69/529622569.db2.gz XFVZHKTZWNPBQQ-ZIAGYGMSSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000507520310 529622647 /nfs/dbraw/zinc/62/26/47/529622647.db2.gz PBASBXDSCSAWDC-GFCCVEGCSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCC(C)(C)C ZINC000507520311 529622928 /nfs/dbraw/zinc/62/29/28/529622928.db2.gz PBASBXDSCSAWDC-LBPRGKRZSA-N 1 0 234.387 3.731 20 0 BHADRO COc1ccc([C@@H]([NH2+]C2CCC2)C(C)C)cc1 ZINC000507520579 226369411 /nfs/dbraw/zinc/36/94/11/226369411.db2.gz RNWKSYSCJZIHME-HNNXBMFYSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H]([NH2+]C2CCC2)C(C)C)cc1 ZINC000507520580 533192374 /nfs/dbraw/zinc/19/23/74/533192374.db2.gz RNWKSYSCJZIHME-OAHLLOKOSA-N 1 0 233.355 3.534 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1(CC)CCC1 ZINC000507522161 529621479 /nfs/dbraw/zinc/62/14/79/529621479.db2.gz DWBFHYWITGCPOO-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1(CC)CCC1 ZINC000507522162 529623268 /nfs/dbraw/zinc/62/32/68/529623268.db2.gz DWBFHYWITGCPOO-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccsc2C)C1 ZINC000507555896 529298669 /nfs/dbraw/zinc/29/86/69/529298669.db2.gz VAXOIGBZIGVXKA-GFCCVEGCSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccsc2C)C1 ZINC000507555897 529217751 /nfs/dbraw/zinc/21/77/51/529217751.db2.gz VAXOIGBZIGVXKA-LBPRGKRZSA-N 1 0 223.385 3.679 20 0 BHADRO CC[NH+](CC)Cc1ccc(Oc2ccccc2)o1 ZINC000507609492 528192594 /nfs/dbraw/zinc/19/25/94/528192594.db2.gz ZLATXCSVKXZRPG-UHFFFAOYSA-N 1 0 245.322 3.914 20 0 BHADRO CCC[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000507609686 527853150 /nfs/dbraw/zinc/85/31/50/527853150.db2.gz FLTGSNAXFJZVRI-UHFFFAOYSA-N 1 0 245.322 3.914 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000507609847 527416478 /nfs/dbraw/zinc/41/64/78/527416478.db2.gz GKBOXOQKJYLFQD-CABCVRRESA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000507609848 527426290 /nfs/dbraw/zinc/42/62/90/527426290.db2.gz GKBOXOQKJYLFQD-GJZGRUSLSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000507609849 527416024 /nfs/dbraw/zinc/41/60/24/527416024.db2.gz GKBOXOQKJYLFQD-HUUCEWRRSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000507609850 527426019 /nfs/dbraw/zinc/42/60/19/527426019.db2.gz GKBOXOQKJYLFQD-LSDHHAIUSA-N 1 0 239.403 3.670 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000507615863 528075476 /nfs/dbraw/zinc/07/54/76/528075476.db2.gz BRHMIMLCZAHTCJ-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H]1CCCCO1 ZINC000507615864 528069587 /nfs/dbraw/zinc/06/95/87/528069587.db2.gz BRHMIMLCZAHTCJ-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000507615865 528070164 /nfs/dbraw/zinc/07/01/64/528070164.db2.gz BRHMIMLCZAHTCJ-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H]1CCCCO1 ZINC000507615866 528076107 /nfs/dbraw/zinc/07/61/07/528076107.db2.gz BRHMIMLCZAHTCJ-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)c(C)c1)C1CC1 ZINC000507616525 528781335 /nfs/dbraw/zinc/78/13/35/528781335.db2.gz CUDOCFJYSKACPC-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000507619528 528834210 /nfs/dbraw/zinc/83/42/10/528834210.db2.gz KLZVLEVNLCKGBS-UHFFFAOYSA-N 1 0 245.322 3.912 20 0 BHADRO C[N@@H+](Cc1ccc(C2CCC2)cc1)CC1CC1 ZINC000507630137 529984364 /nfs/dbraw/zinc/98/43/64/529984364.db2.gz NNWZHOILZRXQGO-UHFFFAOYSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000507643665 226370774 /nfs/dbraw/zinc/37/07/74/226370774.db2.gz IJIGRBVVVUBSDN-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000507643667 226370726 /nfs/dbraw/zinc/37/07/26/226370726.db2.gz IJIGRBVVVUBSDN-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000507643670 226370724 /nfs/dbraw/zinc/37/07/24/226370724.db2.gz IJIGRBVVVUBSDN-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000507643671 226370785 /nfs/dbraw/zinc/37/07/85/226370785.db2.gz IJIGRBVVVUBSDN-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO COc1c(C)cc(C[N@H+](C)CCC(C)C)cc1C ZINC000507647832 533395259 /nfs/dbraw/zinc/39/52/59/533395259.db2.gz IEFUWARQCBMSCZ-UHFFFAOYSA-N 1 0 249.398 3.790 20 0 BHADRO C[N@H+](CCOC(C)(C)C)CCC1CCCCC1 ZINC000507650564 529920894 /nfs/dbraw/zinc/92/08/94/529920894.db2.gz YBVMMTWALCIRIY-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)[N@H+](CCOC(C)C)Cc1ccccc1 ZINC000507693959 529694003 /nfs/dbraw/zinc/69/40/03/529694003.db2.gz MUYRCKFEFIPLNZ-HNNXBMFYSA-N 1 0 249.398 3.712 20 0 BHADRO CC[C@@H](C)[N@H+](CCOC(C)C)Cc1ccccc1 ZINC000507693960 529347905 /nfs/dbraw/zinc/34/79/05/529347905.db2.gz MUYRCKFEFIPLNZ-OAHLLOKOSA-N 1 0 249.398 3.712 20 0 BHADRO CCC[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000507694633 527825548 /nfs/dbraw/zinc/82/55/48/527825548.db2.gz ZQBYIKMHBZHFHA-UHFFFAOYSA-N 1 0 243.803 3.774 20 0 BHADRO CC[C@H](C)[N@@H+](Cc1ccccc1)CC(C)C ZINC000507695164 529695374 /nfs/dbraw/zinc/69/53/74/529695374.db2.gz SWEIEJKSVZIFRE-AWEZNQCLSA-N 1 0 219.372 3.943 20 0 BHADRO CC[C@@H](C)[N@@H+](Cc1ccccc1)CC(C)C ZINC000507695165 529349373 /nfs/dbraw/zinc/34/93/73/529349373.db2.gz SWEIEJKSVZIFRE-CQSZACIVSA-N 1 0 219.372 3.943 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000507710742 528145791 /nfs/dbraw/zinc/14/57/91/528145791.db2.gz RLSHUGJOTXIMSU-ZDUSSCGKSA-N 1 0 205.345 3.697 20 0 BHADRO COc1ccccc1C(C)(C)[NH2+]CC1CCCC1 ZINC000507786788 533982037 /nfs/dbraw/zinc/98/20/37/533982037.db2.gz BGIYOEOYMWWLMH-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CCC[N@H+](Cc1cc(C)ccc1C)C1CC1 ZINC000507787086 528130526 /nfs/dbraw/zinc/13/05/26/528130526.db2.gz MQWXFNFYTTYECQ-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C2CCCC2)nc1 ZINC000507788602 533881277 /nfs/dbraw/zinc/88/12/77/533881277.db2.gz NZPZSCHGUGCHCL-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO COc1cccc(C[N@H+](CCC(C)C)C2CC2)c1 ZINC000507792985 533473049 /nfs/dbraw/zinc/47/30/49/533473049.db2.gz UXYVUMOBESXGNL-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507797580 527928822 /nfs/dbraw/zinc/92/88/22/527928822.db2.gz SAVDNAFQYGBAPD-CABCVRRESA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@H]1CCO[C@@H](CC)C1 ZINC000507797581 527928246 /nfs/dbraw/zinc/92/82/46/527928246.db2.gz SAVDNAFQYGBAPD-GJZGRUSLSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@@H]1CCO[C@H](CC)C1 ZINC000507797582 527928834 /nfs/dbraw/zinc/92/88/34/527928834.db2.gz SAVDNAFQYGBAPD-HUUCEWRRSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@H]1CCO[C@H](CC)C1 ZINC000507797583 527928964 /nfs/dbraw/zinc/92/89/64/527928964.db2.gz SAVDNAFQYGBAPD-LSDHHAIUSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H]1C[C@H](C[N@H+](CC(C)C)C(C)C)CCO1 ZINC000507798515 529326422 /nfs/dbraw/zinc/32/64/22/529326422.db2.gz RIUFAVJVPSPPLT-CABCVRRESA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@H]1C[C@@H](C[N@H+](CC(C)C)C(C)C)CCO1 ZINC000507798516 529317281 /nfs/dbraw/zinc/31/72/81/529317281.db2.gz RIUFAVJVPSPPLT-GJZGRUSLSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](CC(C)C)C(C)C)CCO1 ZINC000507798517 529441623 /nfs/dbraw/zinc/44/16/23/529441623.db2.gz RIUFAVJVPSPPLT-HUUCEWRRSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](CC(C)C)C(C)C)CCO1 ZINC000507798518 529425310 /nfs/dbraw/zinc/42/53/10/529425310.db2.gz RIUFAVJVPSPPLT-LSDHHAIUSA-N 1 0 241.419 3.558 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2CC2)ccc1Cl ZINC000507803802 226371009 /nfs/dbraw/zinc/37/10/09/226371009.db2.gz LDNKXMSMYIJRMV-LLVKDONJSA-N 1 0 237.774 3.879 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2CC2)ccc1Cl ZINC000507803803 226371038 /nfs/dbraw/zinc/37/10/38/226371038.db2.gz LDNKXMSMYIJRMV-NSHDSACASA-N 1 0 237.774 3.879 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000507803889 529658363 /nfs/dbraw/zinc/65/83/63/529658363.db2.gz LYMPNCBGMRSKPL-KKUMJFAQSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@@H]1CCO[C@H](CC)C1 ZINC000507803890 529658435 /nfs/dbraw/zinc/65/84/35/529658435.db2.gz LYMPNCBGMRSKPL-RRFJBIMHSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000507803891 529658443 /nfs/dbraw/zinc/65/84/43/529658443.db2.gz LYMPNCBGMRSKPL-SOUVJXGZSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507803892 529658508 /nfs/dbraw/zinc/65/85/08/529658508.db2.gz LYMPNCBGMRSKPL-ZNMIVQPWSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1cc(C[N@@H+]2CCC23CCC3)ccc1Cl ZINC000507804446 533595540 /nfs/dbraw/zinc/59/55/40/533595540.db2.gz NEVXDCAFHSKGHI-UHFFFAOYSA-N 1 0 235.758 3.777 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](CC)[C@H](C)C(C)C)CCO1 ZINC000507805213 529425546 /nfs/dbraw/zinc/42/55/46/529425546.db2.gz PLIGNIHKOYSCMR-QLFBSQMISA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](CC)[C@H](C)C(C)C)CCO1 ZINC000507805214 529441837 /nfs/dbraw/zinc/44/18/37/529441837.db2.gz PLIGNIHKOYSCMR-RBSFLKMASA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](CC)[C@@H](C)C(C)C)CCO1 ZINC000507805215 529441671 /nfs/dbraw/zinc/44/16/71/529441671.db2.gz PLIGNIHKOYSCMR-RRFJBIMHSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](CC)[C@@H](C)C(C)C)CCO1 ZINC000507805216 529425653 /nfs/dbraw/zinc/42/56/53/529425653.db2.gz PLIGNIHKOYSCMR-SOUVJXGZSA-N 1 0 241.419 3.558 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C)ccc1Cl ZINC000507809030 226370893 /nfs/dbraw/zinc/37/08/93/226370893.db2.gz COXUGTACCMNPEA-LLVKDONJSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C)ccc1Cl ZINC000507809031 533606103 /nfs/dbraw/zinc/60/61/03/533606103.db2.gz COXUGTACCMNPEA-NSHDSACASA-N 1 0 223.747 3.633 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507815171 528215029 /nfs/dbraw/zinc/21/50/29/528215029.db2.gz ZBFSEJVPRLXNKQ-CYBMUJFWSA-N 1 0 239.309 3.732 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507815174 528216725 /nfs/dbraw/zinc/21/67/25/528216725.db2.gz ZBFSEJVPRLXNKQ-ZDUSSCGKSA-N 1 0 239.309 3.732 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507817016 527689457 /nfs/dbraw/zinc/68/94/57/527689457.db2.gz ZRFPKQKFCSAJGH-GFCCVEGCSA-N 1 0 239.309 3.588 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507817017 527689390 /nfs/dbraw/zinc/68/93/90/527689390.db2.gz ZRFPKQKFCSAJGH-LBPRGKRZSA-N 1 0 239.309 3.588 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507827560 528804699 /nfs/dbraw/zinc/80/46/99/528804699.db2.gz RHPGSOSLYQGTNR-CYBMUJFWSA-N 1 0 239.309 3.730 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507827562 528804769 /nfs/dbraw/zinc/80/47/69/528804769.db2.gz RHPGSOSLYQGTNR-ZDUSSCGKSA-N 1 0 239.309 3.730 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507827564 527741560 /nfs/dbraw/zinc/74/15/60/527741560.db2.gz RHUBJIUUNZBCRC-CYBMUJFWSA-N 1 0 239.309 3.588 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507827569 527743592 /nfs/dbraw/zinc/74/35/92/527743592.db2.gz RHUBJIUUNZBCRC-ZDUSSCGKSA-N 1 0 239.309 3.588 20 0 BHADRO CCC[N@H+](CCc1ccccc1Cl)C1CC1 ZINC000507833238 528106603 /nfs/dbraw/zinc/10/66/03/528106603.db2.gz ICDUQIHAYPPABN-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO COCCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000507847922 226371276 /nfs/dbraw/zinc/37/12/76/226371276.db2.gz LASIPUMNLJTRHT-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO Cc1[nH+]ccc(N2CCC(C)=C(C)C2)c1Cl ZINC000507889191 226371434 /nfs/dbraw/zinc/37/14/34/226371434.db2.gz KQGVUEODDFHFSP-UHFFFAOYSA-N 1 0 236.746 3.590 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000507918302 226371261 /nfs/dbraw/zinc/37/12/61/226371261.db2.gz FTXINQSWFUYYCJ-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000507918306 226371219 /nfs/dbraw/zinc/37/12/19/226371219.db2.gz FTXINQSWFUYYCJ-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000507918307 226371355 /nfs/dbraw/zinc/37/13/55/226371355.db2.gz FTXINQSWFUYYCJ-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000507918308 226371213 /nfs/dbraw/zinc/37/12/13/226371213.db2.gz FTXINQSWFUYYCJ-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1 ZINC000507995275 226371513 /nfs/dbraw/zinc/37/15/13/226371513.db2.gz PTEOBCPXCPRGJP-GFCCVEGCSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1ccc(F)c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1 ZINC000507995276 226371622 /nfs/dbraw/zinc/37/16/22/226371622.db2.gz PTEOBCPXCPRGJP-LBPRGKRZSA-N 1 0 247.357 3.897 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000507999245 528939840 /nfs/dbraw/zinc/93/98/40/528939840.db2.gz OKKWQDGIBGTFSX-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO CCOc1cccc(C[N@H+](CC(C)C)C2CC2)c1 ZINC000508000896 528644062 /nfs/dbraw/zinc/64/40/62/528644062.db2.gz TZVDJNRUCJKCSH-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H](C1CC1)[N@H+](C[C@@H]1CC=CCC1)C1CC1 ZINC000508000952 226371569 /nfs/dbraw/zinc/37/15/69/226371569.db2.gz UMUGUHBNGACLIH-CHWSQXEVSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@H](C1CC1)[N@H+](C[C@H]1CC=CCC1)C1CC1 ZINC000508000954 226371561 /nfs/dbraw/zinc/37/15/61/226371561.db2.gz UMUGUHBNGACLIH-OLZOCXBDSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C[C@@H]1CC=CCC1)C1CC1 ZINC000508000956 226371552 /nfs/dbraw/zinc/37/15/52/226371552.db2.gz UMUGUHBNGACLIH-QWHCGFSZSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C[C@H]1CC=CCC1)C1CC1 ZINC000508000958 226371660 /nfs/dbraw/zinc/37/16/60/226371660.db2.gz UMUGUHBNGACLIH-STQMWFEESA-N 1 0 219.372 3.606 20 0 BHADRO Cc1ccccc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000508001244 534812095 /nfs/dbraw/zinc/81/20/95/534812095.db2.gz VUBHMQOOONDROD-CYBMUJFWSA-N 1 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247.382 3.624 20 0 BHADRO Cc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)ccc1F ZINC000508013209 226371539 /nfs/dbraw/zinc/37/15/39/226371539.db2.gz NYLRAWNCDFSFKC-GFCCVEGCSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)ccc1F ZINC000508013210 226371703 /nfs/dbraw/zinc/37/17/03/226371703.db2.gz NYLRAWNCDFSFKC-LBPRGKRZSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1cccc(C[N@@H+](C(C)C)C2CC2)c1C ZINC000508013338 534697246 /nfs/dbraw/zinc/69/72/46/534697246.db2.gz IEZCPHZMWDQSRG-UHFFFAOYSA-N 1 0 217.356 3.676 20 0 BHADRO C[C@H](C1CC1)[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000508013972 226371655 /nfs/dbraw/zinc/37/16/55/226371655.db2.gz JPLXGUDKGOHKEJ-BMWLXYDHSA-N 1 0 241.378 3.963 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000508013976 226371526 /nfs/dbraw/zinc/37/15/26/226371526.db2.gz JPLXGUDKGOHKEJ-GPAKFWEMSA-N 1 0 241.378 3.963 20 0 BHADRO C[C@H](C1CC1)[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000508013977 226371459 /nfs/dbraw/zinc/37/14/59/226371459.db2.gz JPLXGUDKGOHKEJ-LHRNQBEKSA-N 1 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Cc1cccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1 ZINC000508035742 226371720 /nfs/dbraw/zinc/37/17/20/226371720.db2.gz AIAWOXYZAIUABY-ZDUSSCGKSA-N 1 0 229.367 3.758 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000508037831 528258662 /nfs/dbraw/zinc/25/86/62/528258662.db2.gz AXFBOINLYFBPDK-LLVKDONJSA-N 1 0 241.325 3.831 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000508037837 528467412 /nfs/dbraw/zinc/46/74/12/528467412.db2.gz AXFBOINLYFBPDK-NSHDSACASA-N 1 0 241.325 3.831 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000508038184 534469705 /nfs/dbraw/zinc/46/97/05/534469705.db2.gz BTWVJMHYDXWZBR-GFCCVEGCSA-N 1 0 225.401 3.923 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000508038230 534470492 /nfs/dbraw/zinc/47/04/92/534470492.db2.gz BTWVJMHYDXWZBR-LBPRGKRZSA-N 1 0 225.401 3.923 20 0 BHADRO CCc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000508038934 529631566 /nfs/dbraw/zinc/63/15/66/529631566.db2.gz DOARZRLPLALWNY-UHFFFAOYSA-N 1 0 217.356 3.622 20 0 BHADRO 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Cc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1F ZINC000508043131 533907039 /nfs/dbraw/zinc/90/70/39/533907039.db2.gz SZMLHKOETMTIMV-GFCCVEGCSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1F ZINC000508043133 533906238 /nfs/dbraw/zinc/90/62/38/533906238.db2.gz SZMLHKOETMTIMV-LBPRGKRZSA-N 1 0 247.357 3.897 20 0 BHADRO CCC(CC)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000508043277 528751799 /nfs/dbraw/zinc/75/17/99/528751799.db2.gz ULLXKUWHRUAMJF-LLVKDONJSA-N 1 0 209.377 3.686 20 0 BHADRO CCC(CC)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000508043278 528751430 /nfs/dbraw/zinc/75/14/30/528751430.db2.gz ULLXKUWHRUAMJF-NSHDSACASA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)[N@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000508043431 528939689 /nfs/dbraw/zinc/93/96/89/528939689.db2.gz WBBKHCDKJSHKPR-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)CC(C)C)s1 ZINC000508051943 226371738 /nfs/dbraw/zinc/37/17/38/226371738.db2.gz JHNCLSGJBFAOMT-LLVKDONJSA-N 1 0 225.401 3.923 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)CC(C)C)s1 ZINC000508051944 226371843 /nfs/dbraw/zinc/37/18/43/226371843.db2.gz JHNCLSGJBFAOMT-NSHDSACASA-N 1 0 225.401 3.923 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@H](C)CC(C)C ZINC000508053956 534062186 /nfs/dbraw/zinc/06/21/86/534062186.db2.gz SDQALERTPOZEAA-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000508053957 534062490 /nfs/dbraw/zinc/06/24/90/534062490.db2.gz SDQALERTPOZEAA-ZDUSSCGKSA-N 1 0 235.371 3.562 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000508054806 528258428 /nfs/dbraw/zinc/25/84/28/528258428.db2.gz QAIXWTFGMVQCAV-LLVKDONJSA-N 1 0 211.374 3.615 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1cccs1 ZINC000508054807 528468222 /nfs/dbraw/zinc/46/82/22/528468222.db2.gz QAIXWTFGMVQCAV-NSHDSACASA-N 1 0 211.374 3.615 20 0 BHADRO CC[NH+](CC)CCSCc1ccccc1C ZINC000508153362 528163944 /nfs/dbraw/zinc/16/39/44/528163944.db2.gz YGORLIGIOBCEIV-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C)c1 ZINC000508492006 226373019 /nfs/dbraw/zinc/37/30/19/226373019.db2.gz UODLDGKZLQNYMN-LLVKDONJSA-N 1 0 223.747 3.633 20 0 BHADRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000508492016 226373061 /nfs/dbraw/zinc/37/30/61/226373061.db2.gz UODLDGKZLQNYMN-NSHDSACASA-N 1 0 223.747 3.633 20 0 BHADRO CCCC[N@H+](Cc1c[nH]nc1C)C1CCCCC1 ZINC000508506311 528441388 /nfs/dbraw/zinc/44/13/88/528441388.db2.gz RIBFVYLPEGXLJX-UHFFFAOYSA-N 1 0 249.402 3.653 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(F)c(F)c1)C(C)C ZINC000508517464 527944872 /nfs/dbraw/zinc/94/48/72/527944872.db2.gz HIXVMFNCMNFVCR-UHFFFAOYSA-N 1 0 241.325 3.831 20 0 BHADRO CCOc1ccc(C[N@H+](CC2CC2)C(C)C)cc1 ZINC000508544582 528432014 /nfs/dbraw/zinc/43/20/14/528432014.db2.gz YYTKBCIKYIRGFS-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccccc1C[N@H+](CC(C)C)C(C)C ZINC000508577676 534062776 /nfs/dbraw/zinc/06/27/76/534062776.db2.gz ITUADPCODMHYQM-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO CCC[N@@H+](Cc1ccccc1OC)CC(C)C ZINC000508579918 528149054 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HAUYEVXJOMWPPV-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1sccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000508596260 226373125 /nfs/dbraw/zinc/37/31/25/226373125.db2.gz RJDBPRHVLPESIU-KBPBESRZSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1sccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000508596261 226373236 /nfs/dbraw/zinc/37/32/36/226373236.db2.gz RJDBPRHVLPESIU-OKILXGFUSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1sccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000508596262 226373189 /nfs/dbraw/zinc/37/31/89/226373189.db2.gz RJDBPRHVLPESIU-ZIAGYGMSSA-N 1 0 235.396 3.679 20 0 BHADRO CCC[N@@H+](Cc1sccc1OC)CC(C)C ZINC000508601094 528156768 /nfs/dbraw/zinc/15/67/68/528156768.db2.gz SQOBWXLRKNIUID-UHFFFAOYSA-N 1 0 241.400 3.625 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1C)CC1CC1 ZINC000508602025 528777353 /nfs/dbraw/zinc/77/73/53/528777353.db2.gz BSBTZWQQKYOXRZ-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCC[N@H+](CC1CC1)[C@H]1CCc2ccccc21 ZINC000508608853 528029381 /nfs/dbraw/zinc/02/93/81/528029381.db2.gz MUUKUWQKXFDNFO-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CCC[N@H+](CC1CC1)[C@@H]1CCc2ccccc21 ZINC000508608856 528028785 /nfs/dbraw/zinc/02/87/85/528028785.db2.gz MUUKUWQKXFDNFO-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)CC(C)C ZINC000508610349 528139730 /nfs/dbraw/zinc/13/97/30/528139730.db2.gz WNRNCUQKJPDENT-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO C[N@H+](Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC000508616146 529984431 /nfs/dbraw/zinc/98/44/31/529984431.db2.gz SZSQULAYUQZIJS-UHFFFAOYSA-N 1 0 229.367 3.938 20 0 BHADRO CCC[N@H+](CC1CC1)[C@H](C)c1ccccc1OC ZINC000508630385 528029275 /nfs/dbraw/zinc/02/92/75/528029275.db2.gz DVNWUHJHRHPGEI-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO CCC[N@H+](CC1CC1)[C@@H](C)c1ccccc1OC ZINC000508630391 528028506 /nfs/dbraw/zinc/02/85/06/528028506.db2.gz DVNWUHJHRHPGEI-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccsc1C ZINC000508634489 529325567 /nfs/dbraw/zinc/32/55/67/529325567.db2.gz GCCNIWYXPSJXOP-GWCFXTLKSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccsc1C ZINC000508634498 529439953 /nfs/dbraw/zinc/43/99/53/529439953.db2.gz GCCNIWYXPSJXOP-GXFFZTMASA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccsc1C ZINC000508634500 529316332 /nfs/dbraw/zinc/31/63/32/529316332.db2.gz GCCNIWYXPSJXOP-MFKMUULPSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccsc1C ZINC000508634503 529423258 /nfs/dbraw/zinc/42/32/58/529423258.db2.gz GCCNIWYXPSJXOP-ZWNOBZJWSA-N 1 0 223.385 3.677 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CCCSCC1 ZINC000508635638 527506690 /nfs/dbraw/zinc/50/66/90/527506690.db2.gz CHBVKAYZGKVIEV-OWBHPGMISA-N 1 0 247.407 3.529 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CCCSCC1 ZINC000508635645 527533025 /nfs/dbraw/zinc/53/30/25/527533025.db2.gz CHBVKAYZGKVIEV-WYMLVPIESA-N 1 0 247.407 3.529 20 0 BHADRO CC[N@H+](Cc1ccccc1OC)CC(C)(C)C ZINC000508644357 528842451 /nfs/dbraw/zinc/84/24/51/528842451.db2.gz VSTAJVULSIRDGO-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[N@@H+](Cc1ccc(OCC)cc1)CC1CC1 ZINC000508672299 528139209 /nfs/dbraw/zinc/13/92/09/528139209.db2.gz RGNOYSPNYXPDFU-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCCOc1ccc(C[NH2+]CC(C)C)c(C)c1 ZINC000508675386 528686351 /nfs/dbraw/zinc/68/63/51/528686351.db2.gz IBDLODVGKFWJDZ-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC[N@H+](CCc1ccc(OC)cc1)CC(C)(C)C ZINC000508709024 528586744 /nfs/dbraw/zinc/58/67/44/528586744.db2.gz GSLNQWYQQHDMHL-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC[N@H+](CCc1cccs1)C[C@H]1CC=CCC1 ZINC000508710126 528599038 /nfs/dbraw/zinc/59/90/38/528599038.db2.gz SEIBNXBHMJFPIM-AWEZNQCLSA-N 1 0 249.423 3.969 20 0 BHADRO CC[N@H+](CCc1cccs1)C[C@@H]1CC=CCC1 ZINC000508710130 528596877 /nfs/dbraw/zinc/59/68/77/528596877.db2.gz SEIBNXBHMJFPIM-CQSZACIVSA-N 1 0 249.423 3.969 20 0 BHADRO COc1ccc(CC[N@H+](CC(C)C)C(C)C)cc1 ZINC000508710181 533477427 /nfs/dbraw/zinc/47/74/27/533477427.db2.gz SRUIIVPVNWIYPH-UHFFFAOYSA-N 1 0 249.398 3.604 20 0 BHADRO CC[C@@H](C[N@H+](CC)[C@H](C)COC)c1ccccc1 ZINC000508725387 529472750 /nfs/dbraw/zinc/47/27/50/529472750.db2.gz HNBPMSCGETWRIQ-CABCVRRESA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@@H](C[N@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000508725388 529472204 /nfs/dbraw/zinc/47/22/04/529472204.db2.gz HNBPMSCGETWRIQ-GJZGRUSLSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](CC)[C@H](C)COC)c1ccccc1 ZINC000508725389 529334326 /nfs/dbraw/zinc/33/43/26/529334326.db2.gz HNBPMSCGETWRIQ-HUUCEWRRSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000508725390 529334683 /nfs/dbraw/zinc/33/46/83/529334683.db2.gz HNBPMSCGETWRIQ-LSDHHAIUSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@H+](CCc1cccs1)CC(C)(C)C ZINC000508734793 528596946 /nfs/dbraw/zinc/59/69/46/528596946.db2.gz PWEFIZOCGSZURF-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO Cc1cc(Cl)cc(C[N@@H+]2CCC23CCC3)c1 ZINC000508747299 226373706 /nfs/dbraw/zinc/37/37/06/226373706.db2.gz MONPVOBDWDEEPK-UHFFFAOYSA-N 1 0 235.758 3.777 20 0 BHADRO CC(C)C[N@@H+](Cc1ccccc1)CC1CC1 ZINC000508748702 527948075 /nfs/dbraw/zinc/94/80/75/527948075.db2.gz SIRQHRQTKJQFNH-UHFFFAOYSA-N 1 0 217.356 3.555 20 0 BHADRO CC(C)CC[N@H+](Cc1ccccn1)C1CCCC1 ZINC000508822473 527719867 /nfs/dbraw/zinc/71/98/67/527719867.db2.gz OGQHGCCGRGBBRP-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[N@H+](Cc1ccncc1)C1CCCC1 ZINC000508837334 527720788 /nfs/dbraw/zinc/72/07/88/527720788.db2.gz LXFCUELUFVJTAM-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)CC[N@H+](CC1CC1)C1CCCC1 ZINC000508838032 527711362 /nfs/dbraw/zinc/71/13/62/527711362.db2.gz HOTHFXVPWRWUBI-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000508895752 533876522 /nfs/dbraw/zinc/87/65/22/533876522.db2.gz XPISRDBBPOVKGL-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000508960796 226373853 /nfs/dbraw/zinc/37/38/53/226373853.db2.gz AKAYEWONTIVPHG-DZGCQCFKSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@@H](F)CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000508960797 534277424 /nfs/dbraw/zinc/27/74/24/534277424.db2.gz AKAYEWONTIVPHG-HIFRSBDPSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@@H](F)CC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000508960798 534276980 /nfs/dbraw/zinc/27/69/80/534276980.db2.gz AKAYEWONTIVPHG-UKRRQHHQSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000508960799 226373925 /nfs/dbraw/zinc/37/39/25/226373925.db2.gz AKAYEWONTIVPHG-ZFWWWQNUSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](F)CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000508961428 226373824 /nfs/dbraw/zinc/37/38/24/226373824.db2.gz BQDXSCMEHFEHRL-AWEZNQCLSA-N 1 0 249.373 3.788 20 0 BHADRO C[C@@H](F)CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000508961430 534276683 /nfs/dbraw/zinc/27/66/83/534276683.db2.gz BQDXSCMEHFEHRL-CQSZACIVSA-N 1 0 249.373 3.788 20 0 BHADRO C[C@@H](F)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000508961790 226373989 /nfs/dbraw/zinc/37/39/89/226373989.db2.gz GBWJGDGUDIKDES-SECBINFHSA-N 1 0 245.288 3.538 20 0 BHADRO C[C@H](F)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000508961791 226373802 /nfs/dbraw/zinc/37/38/02/226373802.db2.gz GBWJGDGUDIKDES-VIFPVBQESA-N 1 0 245.288 3.538 20 0 BHADRO CC1(C)C[N@H+](CCCCF)C[C@H]1c1ccccc1 ZINC000508962312 529117662 /nfs/dbraw/zinc/11/76/62/529117662.db2.gz JBEILBIAAJYCOT-HNNXBMFYSA-N 1 0 249.373 3.862 20 0 BHADRO CC1(C)C[N@H+](CCCCF)C[C@@H]1c1ccccc1 ZINC000508962314 386200990 /nfs/dbraw/zinc/20/09/90/386200990.db2.gz JBEILBIAAJYCOT-OAHLLOKOSA-N 1 0 249.373 3.862 20 0 BHADRO CC1(c2ccccc2)CC[NH+](CCCCF)CC1 ZINC000508966581 528065530 /nfs/dbraw/zinc/06/55/30/528065530.db2.gz PCMDCKRZLRVMKM-UHFFFAOYSA-N 1 0 249.373 3.790 20 0 BHADRO Cc1cccc(C2=CC[N@H+](CCCCF)CC2)c1 ZINC000508966649 226373830 /nfs/dbraw/zinc/37/38/30/226373830.db2.gz QDZZNZWAQYDUIG-UHFFFAOYSA-N 1 0 247.357 3.834 20 0 BHADRO Cc1cccc(C2=CC[N@H+](CC[C@H](C)F)CC2)c1 ZINC000508968181 226373882 /nfs/dbraw/zinc/37/38/82/226373882.db2.gz VNMNZMWHWALBDT-AWEZNQCLSA-N 1 0 247.357 3.832 20 0 BHADRO Cc1cccc(C2=CC[N@H+](CC[C@@H](C)F)CC2)c1 ZINC000508968182 226373952 /nfs/dbraw/zinc/37/39/52/226373952.db2.gz VNMNZMWHWALBDT-CQSZACIVSA-N 1 0 247.357 3.832 20 0 BHADRO C[C@@H]([NH2+]CCCCF)C(C)(C)c1ccccc1 ZINC000508975680 226373893 /nfs/dbraw/zinc/37/38/93/226373893.db2.gz FNIHFOIWQULFMN-CYBMUJFWSA-N 1 0 237.362 3.692 20 0 BHADRO C[C@H]([NH2+]CCCCF)C(C)(C)c1ccccc1 ZINC000508975690 226373871 /nfs/dbraw/zinc/37/38/71/226373871.db2.gz FNIHFOIWQULFMN-ZDUSSCGKSA-N 1 0 237.362 3.692 20 0 BHADRO COCCCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000508976180 533256816 /nfs/dbraw/zinc/25/68/16/533256816.db2.gz HXUUFPOKPJFSBI-UHFFFAOYSA-N 1 0 243.435 3.807 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](CCCCF)C2)c1 ZINC000508976279 226373828 /nfs/dbraw/zinc/37/38/28/226373828.db2.gz ICSCGKSZBBRHKJ-HNNXBMFYSA-N 1 0 235.346 3.534 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](CCCCF)C2)c1 ZINC000508976287 226373875 /nfs/dbraw/zinc/37/38/75/226373875.db2.gz ICSCGKSZBBRHKJ-OAHLLOKOSA-N 1 0 235.346 3.534 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+](CC[C@H](C)F)C2)c1 ZINC000508978649 226373856 /nfs/dbraw/zinc/37/38/56/226373856.db2.gz QTRFJFNPCMYZFW-DZGCQCFKSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+](CC[C@@H](C)F)C2)c1 ZINC000508978651 226373972 /nfs/dbraw/zinc/37/39/72/226373972.db2.gz QTRFJFNPCMYZFW-HIFRSBDPSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)c1 ZINC000508978652 226374032 /nfs/dbraw/zinc/37/40/32/226374032.db2.gz QTRFJFNPCMYZFW-UKRRQHHQSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+](CC[C@H](C)F)C2)c1 ZINC000508978654 226373896 /nfs/dbraw/zinc/37/38/96/226373896.db2.gz QTRFJFNPCMYZFW-ZFWWWQNUSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@H+](CCCCF)C2)c1 ZINC000508989666 226374058 /nfs/dbraw/zinc/37/40/58/226374058.db2.gz CUHXEZKWUHIZJS-HNNXBMFYSA-N 1 0 249.373 3.842 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CCCCF)C2)c1 ZINC000508989667 226374085 /nfs/dbraw/zinc/37/40/85/226374085.db2.gz CUHXEZKWUHIZJS-OAHLLOKOSA-N 1 0 249.373 3.842 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000508990484 226374066 /nfs/dbraw/zinc/37/40/66/226374066.db2.gz GBBLOBINIYPKBL-DOMZBBRYSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@@H](F)CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000508990485 226374159 /nfs/dbraw/zinc/37/41/59/226374159.db2.gz GBBLOBINIYPKBL-IUODEOHRSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@H](F)CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000508990486 226374137 /nfs/dbraw/zinc/37/41/37/226374137.db2.gz GBBLOBINIYPKBL-SWLSCSKDSA-N 1 0 235.346 3.576 20 0 BHADRO C[C@H](F)CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000508990487 226374064 /nfs/dbraw/zinc/37/40/64/226374064.db2.gz GBBLOBINIYPKBL-WFASDCNBSA-N 1 0 235.346 3.576 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@@H+](CC[C@@H](C)F)C2)c1 ZINC000508990594 226374102 /nfs/dbraw/zinc/37/41/02/226374102.db2.gz LFVGTTDDAAVWOT-CABCVRRESA-N 1 0 249.373 3.841 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@@H+](CC[C@H](C)F)C2)c1 ZINC000508990595 226374163 /nfs/dbraw/zinc/37/41/63/226374163.db2.gz LFVGTTDDAAVWOT-GJZGRUSLSA-N 1 0 249.373 3.841 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)c1 ZINC000508990596 226374134 /nfs/dbraw/zinc/37/41/34/226374134.db2.gz LFVGTTDDAAVWOT-HUUCEWRRSA-N 1 0 249.373 3.841 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC[C@H](C)F)C2)c1 ZINC000508990597 226374070 /nfs/dbraw/zinc/37/40/70/226374070.db2.gz LFVGTTDDAAVWOT-LSDHHAIUSA-N 1 0 249.373 3.841 20 0 BHADRO C[C@@H](F)CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000508990825 534277406 /nfs/dbraw/zinc/27/74/06/534277406.db2.gz KDIVHDIMULZKOZ-GFCCVEGCSA-N 1 0 235.346 3.528 20 0 BHADRO C[C@H](F)CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000508990826 226374088 /nfs/dbraw/zinc/37/40/88/226374088.db2.gz KDIVHDIMULZKOZ-LBPRGKRZSA-N 1 0 235.346 3.528 20 0 BHADRO C[C@]1([NH2+]CCCCF)CCCc2ccccc21 ZINC000508990958 534179934 /nfs/dbraw/zinc/17/99/34/534179934.db2.gz JRIPXPMCZQNLRO-HNNXBMFYSA-N 1 0 235.346 3.577 20 0 BHADRO C[C@@]1([NH2+]CCCCF)CCCc2ccccc21 ZINC000508990959 534274674 /nfs/dbraw/zinc/27/46/74/534274674.db2.gz JRIPXPMCZQNLRO-OAHLLOKOSA-N 1 0 235.346 3.577 20 0 BHADRO COCC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC000508993275 226374126 /nfs/dbraw/zinc/37/41/26/226374126.db2.gz CFQSXMRWGCPUMG-DZGCQCFKSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H]([NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC000508993276 533313684 /nfs/dbraw/zinc/31/36/84/533313684.db2.gz CFQSXMRWGCPUMG-HIFRSBDPSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC000508993278 226374145 /nfs/dbraw/zinc/37/41/45/226374145.db2.gz CFQSXMRWGCPUMG-UKRRQHHQSA-N 1 0 249.398 3.788 20 0 BHADRO COCC[C@H]([NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC000508993279 533312605 /nfs/dbraw/zinc/31/26/05/533312605.db2.gz CFQSXMRWGCPUMG-ZFWWWQNUSA-N 1 0 249.398 3.788 20 0 BHADRO COCCCC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000509005303 229261182 /nfs/dbraw/zinc/26/11/82/229261182.db2.gz AYADQNHZMVVWDL-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC000509005306 229261494 /nfs/dbraw/zinc/26/14/94/229261494.db2.gz AYADQNHZMVVWDL-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCCCF)C1CC1 ZINC000509007435 229260725 /nfs/dbraw/zinc/26/07/25/229260725.db2.gz RIQYLJMREYIZGW-HNNXBMFYSA-N 1 0 235.346 3.785 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCCCF)C1CC1 ZINC000509007438 229261243 /nfs/dbraw/zinc/26/12/43/229261243.db2.gz RIQYLJMREYIZGW-OAHLLOKOSA-N 1 0 235.346 3.785 20 0 BHADRO CC1(C)C[N@H+](CCCCF)Cc2ccccc21 ZINC000509007571 529117726 /nfs/dbraw/zinc/11/77/26/529117726.db2.gz SMUHPIXWTGQPQI-UHFFFAOYSA-N 1 0 235.346 3.530 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000509007713 229261324 /nfs/dbraw/zinc/26/13/24/229261324.db2.gz JLIJMHFQFJVOKC-JMBLZNSLSA-N 1 0 247.357 3.912 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000509007715 229261000 /nfs/dbraw/zinc/26/10/00/229261000.db2.gz JLIJMHFQFJVOKC-KTMLPXRHSA-N 1 0 247.357 3.912 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000509007717 229261541 /nfs/dbraw/zinc/26/15/41/229261541.db2.gz JLIJMHFQFJVOKC-OOCSTFOJSA-N 1 0 247.357 3.912 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000509007718 229261172 /nfs/dbraw/zinc/26/11/72/229261172.db2.gz JLIJMHFQFJVOKC-SYMMMWLZSA-N 1 0 247.357 3.912 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000509009192 229261075 /nfs/dbraw/zinc/26/10/75/229261075.db2.gz YQMDNIBMYPQVEI-BLIJAFNYSA-N 1 0 247.357 3.914 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000509009193 229261522 /nfs/dbraw/zinc/26/15/22/229261522.db2.gz YQMDNIBMYPQVEI-OFAQMXQXSA-N 1 0 247.357 3.914 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000509009194 229261556 /nfs/dbraw/zinc/26/15/56/229261556.db2.gz YQMDNIBMYPQVEI-SIFUEBAJSA-N 1 0 247.357 3.914 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000509009195 229261315 /nfs/dbraw/zinc/26/13/15/229261315.db2.gz YQMDNIBMYPQVEI-SNGWPZLWSA-N 1 0 247.357 3.914 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC12CCCCC2 ZINC000509019959 534276552 /nfs/dbraw/zinc/27/65/52/534276552.db2.gz ATTIJHQDGBBPQF-GFCCVEGCSA-N 1 0 213.340 3.533 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC12CCCCC2 ZINC000509019961 229260889 /nfs/dbraw/zinc/26/08/89/229260889.db2.gz ATTIJHQDGBBPQF-LBPRGKRZSA-N 1 0 213.340 3.533 20 0 BHADRO FCCCC[N@@H+]1CCCC12CCCCC2 ZINC000509020520 229260960 /nfs/dbraw/zinc/26/09/60/229260960.db2.gz FCGDQXGQZOKKGW-UHFFFAOYSA-N 1 0 213.340 3.535 20 0 BHADRO CC(C)[N@H+](CCCCF)C1CCCCC1 ZINC000509020639 528879953 /nfs/dbraw/zinc/87/99/53/528879953.db2.gz CFOYNFIQINLSAH-UHFFFAOYSA-N 1 0 215.356 3.779 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC000509021296 528585200 /nfs/dbraw/zinc/58/52/00/528585200.db2.gz JLFIKPBOYWMQOC-CHWSQXEVSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC000509021298 528373300 /nfs/dbraw/zinc/37/33/00/528373300.db2.gz JLFIKPBOYWMQOC-OLZOCXBDSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC000509021299 528584756 /nfs/dbraw/zinc/58/47/56/528584756.db2.gz JLFIKPBOYWMQOC-QWHCGFSZSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC000509021300 528373519 /nfs/dbraw/zinc/37/35/19/528373519.db2.gz JLFIKPBOYWMQOC-STQMWFEESA-N 1 0 215.356 3.635 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]CC[C@@H](C)F)cc1 ZINC000509022057 529617788 /nfs/dbraw/zinc/61/77/88/529617788.db2.gz JUBOLGDGTLYXJU-GFCCVEGCSA-N 1 0 237.362 3.822 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]CC[C@H](C)F)cc1 ZINC000509022059 529618085 /nfs/dbraw/zinc/61/80/85/529618085.db2.gz JUBOLGDGTLYXJU-LBPRGKRZSA-N 1 0 237.362 3.822 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCCF ZINC000509022402 528599455 /nfs/dbraw/zinc/59/94/55/528599455.db2.gz LEQMWJOJRUBKTB-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCCF ZINC000509022403 528598684 /nfs/dbraw/zinc/59/86/84/528598684.db2.gz LEQMWJOJRUBKTB-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]CCCCF)cc1 ZINC000509023016 529617756 /nfs/dbraw/zinc/61/77/56/529617756.db2.gz OTHHOJCNHWXJQA-UHFFFAOYSA-N 1 0 237.362 3.823 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509023048 528598607 /nfs/dbraw/zinc/59/86/07/528598607.db2.gz PDBDDOXVBRSPPE-NEPJUHHUSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCCCF ZINC000509023075 528585223 /nfs/dbraw/zinc/58/52/23/528585223.db2.gz UMJMKYCLXHJSRL-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCCF ZINC000509023076 528371273 /nfs/dbraw/zinc/37/12/73/528371273.db2.gz UMJMKYCLXHJSRL-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509023161 528599562 /nfs/dbraw/zinc/59/95/62/528599562.db2.gz PDBDDOXVBRSPPE-NWDGAFQWSA-N 1 0 215.356 3.635 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509023164 528598746 /nfs/dbraw/zinc/59/87/46/528598746.db2.gz PDBDDOXVBRSPPE-RYUDHWBXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509023165 528599930 /nfs/dbraw/zinc/59/99/30/528599930.db2.gz PDBDDOXVBRSPPE-VXGBXAGGSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@@H](F)CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000509023169 534275759 /nfs/dbraw/zinc/27/57/59/534275759.db2.gz VEQDOZOTWACVIF-LLVKDONJSA-N 1 0 243.753 3.562 20 0 BHADRO C[C@H](F)CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000509023175 229261440 /nfs/dbraw/zinc/26/14/40/229261440.db2.gz VEQDOZOTWACVIF-NSHDSACASA-N 1 0 243.753 3.562 20 0 BHADRO C[N@H+](CCCCF)CCc1ccc(Cl)cc1 ZINC000509023358 529882581 /nfs/dbraw/zinc/88/25/81/529882581.db2.gz VJPPPBUSQWLZBO-UHFFFAOYSA-N 1 0 243.753 3.564 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCF)cc(C)c1F ZINC000509023729 229261050 /nfs/dbraw/zinc/26/10/50/229261050.db2.gz XZTAJUXHLBAONN-GFCCVEGCSA-N 1 0 241.325 3.843 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCCF)cc(C)c1F ZINC000509023731 229260674 /nfs/dbraw/zinc/26/06/74/229260674.db2.gz XZTAJUXHLBAONN-LBPRGKRZSA-N 1 0 241.325 3.843 20 0 BHADRO CC(C)[N@@H+](CC[C@@H](C)F)C1CCCCC1 ZINC000509024032 528913323 /nfs/dbraw/zinc/91/33/23/528913323.db2.gz SVZJTWABEJEKAB-GFCCVEGCSA-N 1 0 215.356 3.778 20 0 BHADRO CC(C)[N@@H+](CC[C@H](C)F)C1CCCCC1 ZINC000509024034 528913049 /nfs/dbraw/zinc/91/30/49/528913049.db2.gz SVZJTWABEJEKAB-LBPRGKRZSA-N 1 0 215.356 3.778 20 0 BHADRO C[C@@H](F)CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000509029859 229260801 /nfs/dbraw/zinc/26/08/01/229260801.db2.gz ITDKUNKJLXLPHO-CYBMUJFWSA-N 1 0 235.346 3.794 20 0 BHADRO C[C@H](F)CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000509029860 229260898 /nfs/dbraw/zinc/26/08/98/229260898.db2.gz ITDKUNKJLXLPHO-ZDUSSCGKSA-N 1 0 235.346 3.794 20 0 BHADRO FCCCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000509032765 229261125 /nfs/dbraw/zinc/26/11/25/229261125.db2.gz NNTXKADCICOFPK-UHFFFAOYSA-N 1 0 235.346 3.795 20 0 BHADRO CC[C@@H]1CCCCN1c1cc[nH+]c(C)c1Cl ZINC000509033319 529274713 /nfs/dbraw/zinc/27/47/13/529274713.db2.gz RDJTVNNEQSEBKT-LLVKDONJSA-N 1 0 238.762 3.812 20 0 BHADRO CC[C@H]1CCCCN1c1cc[nH+]c(C)c1Cl ZINC000509033320 529202655 /nfs/dbraw/zinc/20/26/55/529202655.db2.gz RDJTVNNEQSEBKT-NSHDSACASA-N 1 0 238.762 3.812 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000509036289 529217346 /nfs/dbraw/zinc/21/73/46/529217346.db2.gz ATFMDDMIEWCEAW-AWEZNQCLSA-N 1 0 217.356 3.617 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000509036292 529298626 /nfs/dbraw/zinc/29/86/26/529298626.db2.gz ATFMDDMIEWCEAW-CQSZACIVSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CCCCF)C2CC2)c1 ZINC000509036456 229261207 /nfs/dbraw/zinc/26/12/07/229261207.db2.gz YCPKCUGHMFDMCP-INIZCTEOSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CCCCF)C2CC2)c1 ZINC000509036457 534722997 /nfs/dbraw/zinc/72/29/97/534722997.db2.gz YCPKCUGHMFDMCP-MRXNPFEDSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000509041274 229260572 /nfs/dbraw/zinc/26/05/72/229260572.db2.gz XJFCTJNUKOPTRK-GFCCVEGCSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1sccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000509041275 229260907 /nfs/dbraw/zinc/26/09/07/229260907.db2.gz XJFCTJNUKOPTRK-LBPRGKRZSA-N 1 0 223.385 3.534 20 0 BHADRO CCOCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000509055014 528727421 /nfs/dbraw/zinc/72/74/21/528727421.db2.gz LBJBUWMURVTJEM-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000509056424 529217068 /nfs/dbraw/zinc/21/70/68/529217068.db2.gz XNZPQLJBQCEWPS-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000509056425 529298916 /nfs/dbraw/zinc/29/89/16/529298916.db2.gz XNZPQLJBQCEWPS-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000509056586 529298884 /nfs/dbraw/zinc/29/88/84/529298884.db2.gz KLHJLUHETQGSTC-GFCCVEGCSA-N 1 0 237.774 3.962 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000509056587 529216779 /nfs/dbraw/zinc/21/67/79/529216779.db2.gz KLHJLUHETQGSTC-LBPRGKRZSA-N 1 0 237.774 3.962 20 0 BHADRO CCC[N@H+](CCOc1c(C)cccc1C)C1CC1 ZINC000509077098 528103961 /nfs/dbraw/zinc/10/39/61/528103961.db2.gz IILDREHNYJMNPC-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[N@H+](Cc1cc(C)cc(C)c1)C1CC1 ZINC000509081933 528129722 /nfs/dbraw/zinc/12/97/22/528129722.db2.gz JEGXFXFNGVLPFW-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CCC1(CC)CC[NH+](CC[C@@H](C)F)CC1 ZINC000509136046 529057363 /nfs/dbraw/zinc/05/73/63/529057363.db2.gz HDAYFWWVIFEAGS-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO CCC1(CC)CC[NH+](CC[C@H](C)F)CC1 ZINC000509136049 529056683 /nfs/dbraw/zinc/05/66/83/529056683.db2.gz HDAYFWWVIFEAGS-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[N@H+](CCCCOC)CC1CCCCC1 ZINC000509261414 528063463 /nfs/dbraw/zinc/06/34/63/528063463.db2.gz BRTINQOHLFNDOK-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1ccc(Cl)cc1 ZINC000509262278 528585187 /nfs/dbraw/zinc/58/51/87/528585187.db2.gz GKEHSTMHCWITLC-LLVKDONJSA-N 1 0 243.753 3.910 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1ccc(Cl)cc1 ZINC000509262281 528584622 /nfs/dbraw/zinc/58/46/22/528584622.db2.gz GKEHSTMHCWITLC-NSHDSACASA-N 1 0 243.753 3.910 20 0 BHADRO CC[N@H+](CCCCF)Cc1ccc(Cl)cc1 ZINC000509262369 528432207 /nfs/dbraw/zinc/43/22/07/528432207.db2.gz GWUACCWOMYCKMG-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@@H](C)c1ccc(F)cc1 ZINC000509263914 528585241 /nfs/dbraw/zinc/58/52/41/528585241.db2.gz OGCUWONMTLKMGG-NEPJUHHUSA-N 1 0 241.325 3.957 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@H](C)c1ccc(F)cc1 ZINC000509263915 528584306 /nfs/dbraw/zinc/58/43/06/528584306.db2.gz OGCUWONMTLKMGG-NWDGAFQWSA-N 1 0 241.325 3.957 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@@H](C)c1ccc(F)cc1 ZINC000509263916 528585278 /nfs/dbraw/zinc/58/52/78/528585278.db2.gz OGCUWONMTLKMGG-RYUDHWBXSA-N 1 0 241.325 3.957 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)[C@H](C)c1ccc(F)cc1 ZINC000509263917 528584455 /nfs/dbraw/zinc/58/44/55/528584455.db2.gz OGCUWONMTLKMGG-VXGBXAGGSA-N 1 0 241.325 3.957 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCCCF ZINC000509264237 527703769 /nfs/dbraw/zinc/70/37/69/527703769.db2.gz PFWXEOGYGCQTAZ-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCCCF ZINC000509264238 527698376 /nfs/dbraw/zinc/69/83/76/527698376.db2.gz PFWXEOGYGCQTAZ-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000509264943 229266750 /nfs/dbraw/zinc/26/67/50/229266750.db2.gz TXTDJWBDBKCIMU-INIZCTEOSA-N 1 0 249.373 3.833 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000509264944 229266848 /nfs/dbraw/zinc/26/68/48/229266848.db2.gz TXTDJWBDBKCIMU-MRXNPFEDSA-N 1 0 249.373 3.833 20 0 BHADRO CC[N@H+](CCCCF)[C@H](C)c1ccc(F)cc1 ZINC000509265343 528432640 /nfs/dbraw/zinc/43/26/40/528432640.db2.gz UNVDCSSSNHCSSO-GFCCVEGCSA-N 1 0 241.325 3.958 20 0 BHADRO CC[N@H+](CCCCF)[C@@H](C)c1ccc(F)cc1 ZINC000509265344 528432556 /nfs/dbraw/zinc/43/25/56/528432556.db2.gz UNVDCSSSNHCSSO-LBPRGKRZSA-N 1 0 241.325 3.958 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000509265607 534276689 /nfs/dbraw/zinc/27/66/89/534276689.db2.gz WKBIEZGKHOQSGA-GDBMZVCRSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000509265608 229266993 /nfs/dbraw/zinc/26/69/93/229266993.db2.gz WKBIEZGKHOQSGA-GOEBONIOSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000509265609 229266272 /nfs/dbraw/zinc/26/62/72/229266272.db2.gz WKBIEZGKHOQSGA-HOCLYGCPSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000509265610 534276456 /nfs/dbraw/zinc/27/64/56/534276456.db2.gz WKBIEZGKHOQSGA-ZBFHGGJFSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000509266655 534276453 /nfs/dbraw/zinc/27/64/53/534276453.db2.gz ZKVBXCWRSTUQJB-NEPJUHHUSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000509266656 229266289 /nfs/dbraw/zinc/26/62/89/229266289.db2.gz ZKVBXCWRSTUQJB-NWDGAFQWSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000509266657 229266337 /nfs/dbraw/zinc/26/63/37/229266337.db2.gz ZKVBXCWRSTUQJB-RYUDHWBXSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000509266659 534276242 /nfs/dbraw/zinc/27/62/42/534276242.db2.gz ZKVBXCWRSTUQJB-VXGBXAGGSA-N 1 0 215.356 3.635 20 0 BHADRO CC[N@H+](CCCCF)Cc1cccc(Cl)c1 ZINC000509274796 528432747 /nfs/dbraw/zinc/43/27/47/528432747.db2.gz BPZZAVDFPZKQNT-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1cccc(Cl)c1 ZINC000509276591 528584322 /nfs/dbraw/zinc/58/43/22/528584322.db2.gz KVXSJXFUPFVPSV-LLVKDONJSA-N 1 0 243.753 3.910 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1cccc(Cl)c1 ZINC000509276593 528585744 /nfs/dbraw/zinc/58/57/44/528585744.db2.gz KVXSJXFUPFVPSV-NSHDSACASA-N 1 0 243.753 3.910 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCCCF)cc1 ZINC000509276636 229266929 /nfs/dbraw/zinc/26/69/29/229266929.db2.gz LFWQHJNTDINSIC-CYBMUJFWSA-N 1 0 223.335 3.738 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCCCF)cc1 ZINC000509276637 229267017 /nfs/dbraw/zinc/26/70/17/229267017.db2.gz LFWQHJNTDINSIC-ZDUSSCGKSA-N 1 0 223.335 3.738 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CC[C@@H](C)F)cc1 ZINC000509277584 229268816 /nfs/dbraw/zinc/26/88/16/229268816.db2.gz VIBMXWDPNNJYJV-CHWSQXEVSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CC[C@@H](C)F)cc1 ZINC000509277585 229268518 /nfs/dbraw/zinc/26/85/18/229268518.db2.gz VIBMXWDPNNJYJV-OLZOCXBDSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CC[C@H](C)F)cc1 ZINC000509277586 229268919 /nfs/dbraw/zinc/26/89/19/229268919.db2.gz VIBMXWDPNNJYJV-QWHCGFSZSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CC[C@H](C)F)cc1 ZINC000509277587 229268559 /nfs/dbraw/zinc/26/85/59/229268559.db2.gz VIBMXWDPNNJYJV-STQMWFEESA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCCF ZINC000509279330 229268668 /nfs/dbraw/zinc/26/86/68/229268668.db2.gz MIKKKZVHWMEFBB-HNNXBMFYSA-N 1 0 235.346 3.882 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCCF ZINC000509279331 229268696 /nfs/dbraw/zinc/26/86/96/229268696.db2.gz MIKKKZVHWMEFBB-OAHLLOKOSA-N 1 0 235.346 3.882 20 0 BHADRO CC(C)C[N@H+](CCCCF)C1CCCC1 ZINC000509280129 527938921 /nfs/dbraw/zinc/93/89/21/527938921.db2.gz VDQWQEVJKRXTAP-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)C[N@H+](CC[C@@H](C)F)C1CCCC1 ZINC000509280363 527941217 /nfs/dbraw/zinc/94/12/17/527941217.db2.gz WRJACWFZMLKRLJ-GFCCVEGCSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C[N@H+](CC[C@H](C)F)C1CCCC1 ZINC000509280364 527940337 /nfs/dbraw/zinc/94/03/37/527940337.db2.gz WRJACWFZMLKRLJ-LBPRGKRZSA-N 1 0 215.356 3.635 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H](C)F ZINC000509280604 229267832 /nfs/dbraw/zinc/26/78/32/229267832.db2.gz WCRJNXRUMNBPOU-DZGCQCFKSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000509280606 229267678 /nfs/dbraw/zinc/26/76/78/229267678.db2.gz WCRJNXRUMNBPOU-HIFRSBDPSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000509280608 229267995 /nfs/dbraw/zinc/26/79/95/229267995.db2.gz WCRJNXRUMNBPOU-UKRRQHHQSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H](C)F ZINC000509280609 229268835 /nfs/dbraw/zinc/26/88/35/229268835.db2.gz WCRJNXRUMNBPOU-ZFWWWQNUSA-N 1 0 235.346 3.880 20 0 BHADRO FCCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000509294861 229268783 /nfs/dbraw/zinc/26/87/83/229268783.db2.gz CTDAFPHDYOSZPZ-AWEZNQCLSA-N 1 0 227.367 3.781 20 0 BHADRO FCCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000509294869 229268759 /nfs/dbraw/zinc/26/87/59/229268759.db2.gz CTDAFPHDYOSZPZ-CQSZACIVSA-N 1 0 227.367 3.781 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CC[C@H](C)F)c1 ZINC000509295174 534765343 /nfs/dbraw/zinc/76/53/43/534765343.db2.gz FSVGSZUAYNKQPE-DZGCQCFKSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H](C)F)c1 ZINC000509295175 229267978 /nfs/dbraw/zinc/26/79/78/229267978.db2.gz FSVGSZUAYNKQPE-HIFRSBDPSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H](C)F)c1 ZINC000509295176 534764838 /nfs/dbraw/zinc/76/48/38/534764838.db2.gz FSVGSZUAYNKQPE-UKRRQHHQSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H](C)F)c1 ZINC000509295177 229268715 /nfs/dbraw/zinc/26/87/15/229268715.db2.gz FSVGSZUAYNKQPE-ZFWWWQNUSA-N 1 0 235.346 3.880 20 0 BHADRO CCCCC[N@H+](CC[C@@H](C)F)C(C)C ZINC000509295196 528182080 /nfs/dbraw/zinc/18/20/80/528182080.db2.gz FWHFQQKTQLOJBJ-GFCCVEGCSA-N 1 0 203.345 3.635 20 0 BHADRO CCCCC[N@H+](CC[C@H](C)F)C(C)C ZINC000509295200 528182258 /nfs/dbraw/zinc/18/22/58/528182258.db2.gz FWHFQQKTQLOJBJ-LBPRGKRZSA-N 1 0 203.345 3.635 20 0 BHADRO C[C@H](F)CC[N@H+](C)CCCCc1ccccc1 ZINC000509295566 229268112 /nfs/dbraw/zinc/26/81/12/229268112.db2.gz GZXVLCIYLAMLLS-AWEZNQCLSA-N 1 0 237.362 3.689 20 0 BHADRO C[C@@H](F)CC[N@H+](C)CCCCc1ccccc1 ZINC000509295568 534275424 /nfs/dbraw/zinc/27/54/24/534275424.db2.gz GZXVLCIYLAMLLS-CQSZACIVSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCCCOC ZINC000509296466 529256586 /nfs/dbraw/zinc/25/65/86/529256586.db2.gz LDIARAJHGGISHC-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCCCOC ZINC000509296467 529181515 /nfs/dbraw/zinc/18/15/15/529181515.db2.gz LDIARAJHGGISHC-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCCF)c1 ZINC000509296809 229268681 /nfs/dbraw/zinc/26/86/81/229268681.db2.gz PTLHEWGVTDHCBD-HNNXBMFYSA-N 1 0 235.346 3.882 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CCCCF)c1 ZINC000509296810 534763779 /nfs/dbraw/zinc/76/37/79/534763779.db2.gz PTLHEWGVTDHCBD-OAHLLOKOSA-N 1 0 235.346 3.882 20 0 BHADRO CCCCC[N@H+](CC1CC(OCC)C1)C(C)C ZINC000509296855 528166735 /nfs/dbraw/zinc/16/67/35/528166735.db2.gz QGPJRYNRHMYWJY-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO C[N@H+](CCCCF)CCCCc1ccccc1 ZINC000509296987 529882746 /nfs/dbraw/zinc/88/27/46/529882746.db2.gz RZJMHYIHJVXYDP-UHFFFAOYSA-N 1 0 237.362 3.691 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000509297062 229268506 /nfs/dbraw/zinc/26/85/06/229268506.db2.gz TVFDIYLVVJMIEM-GXTWGEPZSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000509297063 229267791 /nfs/dbraw/zinc/26/77/91/229267791.db2.gz TVFDIYLVVJMIEM-JSGCOSHPSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000509297064 534276472 /nfs/dbraw/zinc/27/64/72/534276472.db2.gz TVFDIYLVVJMIEM-OCCSQVGLSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000509297065 534276446 /nfs/dbraw/zinc/27/64/46/534276446.db2.gz TVFDIYLVVJMIEM-TZMCWYRMSA-N 1 0 227.367 3.779 20 0 BHADRO CCCCC[N@H+](CCCCF)C(C)C ZINC000509297089 528168316 /nfs/dbraw/zinc/16/83/16/528168316.db2.gz UKQCKEYQUKPQII-UHFFFAOYSA-N 1 0 203.345 3.637 20 0 BHADRO FCCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000509309871 229267894 /nfs/dbraw/zinc/26/78/94/229267894.db2.gz IPDWWBPYDCUFOA-UHFFFAOYSA-N 1 0 227.367 3.781 20 0 BHADRO C[C@@H](F)CC[N@H+](CC1CCCCC1)C1CC1 ZINC000509310097 534275338 /nfs/dbraw/zinc/27/53/38/534275338.db2.gz KFHFLSJRDJIUQY-GFCCVEGCSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@H](F)CC[N@H+](CC1CCCCC1)C1CC1 ZINC000509310098 229269539 /nfs/dbraw/zinc/26/95/39/229269539.db2.gz KFHFLSJRDJIUQY-LBPRGKRZSA-N 1 0 227.367 3.779 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CC[C@H](C)F ZINC000509310619 529486474 /nfs/dbraw/zinc/48/64/74/529486474.db2.gz MSDWTENWMNEENH-CMPLNLGQSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CC[C@H](C)F ZINC000509310620 529345696 /nfs/dbraw/zinc/34/56/96/529345696.db2.gz MSDWTENWMNEENH-JQWIXIFHSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CC[C@@H](C)F ZINC000509310621 529345644 /nfs/dbraw/zinc/34/56/44/529345644.db2.gz MSDWTENWMNEENH-PWSUYJOCSA-N 1 0 241.375 3.805 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H](C)F ZINC000509310622 529486733 /nfs/dbraw/zinc/48/67/33/529486733.db2.gz MSDWTENWMNEENH-ZYHUDNBSSA-N 1 0 241.375 3.805 20 0 BHADRO CCc1ccc(C[N@H+](CCCCF)C2CC2)cc1 ZINC000509311116 529637437 /nfs/dbraw/zinc/63/74/37/529637437.db2.gz SSQQTZRDMYHWCX-UHFFFAOYSA-N 1 0 249.373 3.963 20 0 BHADRO CCOC1CC(C[N@H+](CC)CC(CC)CC)C1 ZINC000509311214 528497330 /nfs/dbraw/zinc/49/73/30/528497330.db2.gz RFQYJTBDJBKPNR-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)C[N@H+](CCCCF)Cc1ccccc1 ZINC000509311965 527938770 /nfs/dbraw/zinc/93/87/70/527938770.db2.gz AWXTVIFKCKAAHM-UHFFFAOYSA-N 1 0 237.362 3.894 20 0 BHADRO CC(C)c1ccc(C[N@@H+](C)CC[C@@H](C)F)cc1 ZINC000509311993 528090365 /nfs/dbraw/zinc/09/03/65/528090365.db2.gz BJSWAAGHLIERID-CYBMUJFWSA-N 1 0 237.362 3.990 20 0 BHADRO CC(C)c1ccc(C[N@@H+](C)CC[C@H](C)F)cc1 ZINC000509311994 528090591 /nfs/dbraw/zinc/09/05/91/528090591.db2.gz BJSWAAGHLIERID-ZDUSSCGKSA-N 1 0 237.362 3.990 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1ccccc1Cl ZINC000509312332 528585407 /nfs/dbraw/zinc/58/54/07/528585407.db2.gz BNOIQEPLHCNNMX-LLVKDONJSA-N 1 0 243.753 3.910 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1ccccc1Cl ZINC000509312333 528585029 /nfs/dbraw/zinc/58/50/29/528585029.db2.gz BNOIQEPLHCNNMX-NSHDSACASA-N 1 0 243.753 3.910 20 0 BHADRO CC[N@H+](CCCCF)Cc1ccccc1Cl ZINC000509312366 528432692 /nfs/dbraw/zinc/43/26/92/528432692.db2.gz BWOUYPIQZCNBGC-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1CCCCF ZINC000509312483 529486725 /nfs/dbraw/zinc/48/67/25/529486725.db2.gz XGNYSWBUSZCXTO-GFCCVEGCSA-N 1 0 241.375 3.807 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1CCCCF ZINC000509312484 529345547 /nfs/dbraw/zinc/34/55/47/529345547.db2.gz XGNYSWBUSZCXTO-LBPRGKRZSA-N 1 0 241.375 3.807 20 0 BHADRO CC(C)[N@H+](CC[C@@H](C)F)Cc1ccc(F)cc1 ZINC000509312491 528913997 /nfs/dbraw/zinc/91/39/97/528913997.db2.gz XKDQTLPHCJMSBC-GFCCVEGCSA-N 1 0 241.325 3.784 20 0 BHADRO CC(C)[N@H+](CC[C@H](C)F)Cc1ccc(F)cc1 ZINC000509312492 528913398 /nfs/dbraw/zinc/91/33/98/528913398.db2.gz XKDQTLPHCJMSBC-LBPRGKRZSA-N 1 0 241.325 3.784 20 0 BHADRO CC(C)C[N@H+](CC[C@H](C)F)Cc1ccccc1 ZINC000509313117 527941334 /nfs/dbraw/zinc/94/13/34/527941334.db2.gz GMOHYPFBTZMXAJ-AWEZNQCLSA-N 1 0 237.362 3.893 20 0 BHADRO CC(C)C[N@H+](CC[C@@H](C)F)Cc1ccccc1 ZINC000509313118 527941300 /nfs/dbraw/zinc/94/13/00/527941300.db2.gz GMOHYPFBTZMXAJ-CQSZACIVSA-N 1 0 237.362 3.893 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)CCCCF)cc1 ZINC000509313478 528091164 /nfs/dbraw/zinc/09/11/64/528091164.db2.gz ILHAPNCFNKRXGE-UHFFFAOYSA-N 1 0 237.362 3.992 20 0 BHADRO CCC[N@H+](CC[C@@H](C)F)Cc1ccc(F)cc1 ZINC000509313480 528103115 /nfs/dbraw/zinc/10/31/15/528103115.db2.gz INVRZXIJFYXLQN-GFCCVEGCSA-N 1 0 241.325 3.786 20 0 BHADRO CCC[N@H+](CC[C@H](C)F)Cc1ccc(F)cc1 ZINC000509313481 528103982 /nfs/dbraw/zinc/10/39/82/528103982.db2.gz INVRZXIJFYXLQN-LBPRGKRZSA-N 1 0 241.325 3.786 20 0 BHADRO CCC[N@H+](CCCCF)Cc1ccc(F)cc1 ZINC000509315305 528063109 /nfs/dbraw/zinc/06/31/09/528063109.db2.gz RQYAJZFAUDOQDK-UHFFFAOYSA-N 1 0 241.325 3.787 20 0 BHADRO C[C@@H](F)CC[NH+]1CCC(c2ccccc2)CC1 ZINC000509327394 534276114 /nfs/dbraw/zinc/27/61/14/534276114.db2.gz LIPWFRAJJVRPRX-CYBMUJFWSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](F)CC[NH+]1CCC(c2ccccc2)CC1 ZINC000509327396 229270022 /nfs/dbraw/zinc/27/00/22/229270022.db2.gz LIPWFRAJJVRPRX-ZDUSSCGKSA-N 1 0 235.346 3.614 20 0 BHADRO FCCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000509328109 229270016 /nfs/dbraw/zinc/27/00/16/229270016.db2.gz OTOCASVMKXBDBV-UHFFFAOYSA-N 1 0 235.346 3.616 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000509328374 229269798 /nfs/dbraw/zinc/26/97/98/229269798.db2.gz RRLWPMQUFDLUIK-DOMZBBRYSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000509328375 229270289 /nfs/dbraw/zinc/27/02/89/229270289.db2.gz RRLWPMQUFDLUIK-IUODEOHRSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@H](F)CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000509328376 229270851 /nfs/dbraw/zinc/27/08/51/229270851.db2.gz RRLWPMQUFDLUIK-SWLSCSKDSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000509328377 229269563 /nfs/dbraw/zinc/26/95/63/229269563.db2.gz RRLWPMQUFDLUIK-WFASDCNBSA-N 1 0 235.346 3.866 20 0 BHADRO COCCCC[N@H+](CCC(C)C)C1CCCC1 ZINC000509328738 533256130 /nfs/dbraw/zinc/25/61/30/533256130.db2.gz UEQLHWCKISBFBS-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000509328841 533252930 /nfs/dbraw/zinc/25/29/30/533252930.db2.gz VDRFSWDRNSYQAM-HNNXBMFYSA-N 1 0 249.398 3.723 20 0 BHADRO COCCCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000509328842 533253102 /nfs/dbraw/zinc/25/31/02/533253102.db2.gz VDRFSWDRNSYQAM-OAHLLOKOSA-N 1 0 249.398 3.723 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@@H](C)F ZINC000509328893 229269442 /nfs/dbraw/zinc/26/94/42/229269442.db2.gz VWZIGERYRLRSDA-CHWSQXEVSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@@H](C)F ZINC000509328894 229269688 /nfs/dbraw/zinc/26/96/88/229269688.db2.gz VWZIGERYRLRSDA-OLZOCXBDSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@H](C)F ZINC000509328895 229269489 /nfs/dbraw/zinc/26/94/89/229269489.db2.gz VWZIGERYRLRSDA-QWHCGFSZSA-N 1 0 223.335 3.736 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@H](C)F ZINC000509328896 229270554 /nfs/dbraw/zinc/27/05/54/229270554.db2.gz VWZIGERYRLRSDA-STQMWFEESA-N 1 0 223.335 3.736 20 0 BHADRO FCCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000509329430 229270783 /nfs/dbraw/zinc/27/07/83/229270783.db2.gz YVZXTRJDOIRCFQ-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000509329431 229269668 /nfs/dbraw/zinc/26/96/68/229269668.db2.gz YVZXTRJDOIRCFQ-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCCF ZINC000509329769 229270717 /nfs/dbraw/zinc/27/07/17/229270717.db2.gz AYUGCDLPMGGUIF-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCCF ZINC000509329770 229269194 /nfs/dbraw/zinc/26/91/94/229269194.db2.gz AYUGCDLPMGGUIF-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCCF ZINC000509329772 229269849 /nfs/dbraw/zinc/26/98/49/229269849.db2.gz AYUGCDLPMGGUIF-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCCF ZINC000509329774 229270865 /nfs/dbraw/zinc/27/08/65/229270865.db2.gz AYUGCDLPMGGUIF-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000509332233 229271172 /nfs/dbraw/zinc/27/11/72/229271172.db2.gz RPZXNDMKSOCZIU-GUTXKFCHSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000509332234 229271563 /nfs/dbraw/zinc/27/15/63/229271563.db2.gz RPZXNDMKSOCZIU-GZBFAFLISA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000509332235 229271491 /nfs/dbraw/zinc/27/14/91/229271491.db2.gz RPZXNDMKSOCZIU-KCQAQPDRSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000509332236 229271937 /nfs/dbraw/zinc/27/19/37/229271937.db2.gz RPZXNDMKSOCZIU-YDHLFZDLSA-N 1 0 235.346 3.613 20 0 BHADRO CC(C)C[N@H+](CCCCF)CC(C)(C)C ZINC000509340732 527939223 /nfs/dbraw/zinc/93/92/23/527939223.db2.gz HAADYADZZAXOID-UHFFFAOYSA-N 1 0 217.372 3.740 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCCF ZINC000509341837 528905756 /nfs/dbraw/zinc/90/57/56/528905756.db2.gz KJJCCOKUGXCJMR-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCCF ZINC000509341838 528903857 /nfs/dbraw/zinc/90/38/57/528903857.db2.gz KJJCCOKUGXCJMR-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCCF ZINC000509341839 528080565 /nfs/dbraw/zinc/08/05/65/528080565.db2.gz KJJCCOKUGXCJMR-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCCF ZINC000509341840 528073702 /nfs/dbraw/zinc/07/37/02/528073702.db2.gz KJJCCOKUGXCJMR-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509342330 527857166 /nfs/dbraw/zinc/85/71/66/527857166.db2.gz LXHHWYPROQIMDO-CHWSQXEVSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509342331 527820046 /nfs/dbraw/zinc/82/00/46/527820046.db2.gz LXHHWYPROQIMDO-OLZOCXBDSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509342332 527857007 /nfs/dbraw/zinc/85/70/07/527857007.db2.gz LXHHWYPROQIMDO-QWHCGFSZSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509342333 527820138 /nfs/dbraw/zinc/82/01/38/527820138.db2.gz LXHHWYPROQIMDO-STQMWFEESA-N 1 0 215.356 3.635 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509342386 528261350 /nfs/dbraw/zinc/26/13/50/528261350.db2.gz HXGOMLFBWCCKEN-CHWSQXEVSA-N 1 0 215.356 3.779 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509342387 528275208 /nfs/dbraw/zinc/27/52/08/528275208.db2.gz HXGOMLFBWCCKEN-OLZOCXBDSA-N 1 0 215.356 3.779 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509342388 528261427 /nfs/dbraw/zinc/26/14/27/528261427.db2.gz HXGOMLFBWCCKEN-QWHCGFSZSA-N 1 0 215.356 3.779 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509342389 528274922 /nfs/dbraw/zinc/27/49/22/528274922.db2.gz HXGOMLFBWCCKEN-STQMWFEESA-N 1 0 215.356 3.779 20 0 BHADRO CC(C)C[N@H+](CC[C@@H](C)F)CC(C)(C)C ZINC000509343744 527941263 /nfs/dbraw/zinc/94/12/63/527941263.db2.gz QTFNIZFBCCCLBR-GFCCVEGCSA-N 1 0 217.372 3.739 20 0 BHADRO CC(C)C[N@H+](CC[C@H](C)F)CC(C)(C)C ZINC000509343745 527941396 /nfs/dbraw/zinc/94/13/96/527941396.db2.gz QTFNIZFBCCCLBR-LBPRGKRZSA-N 1 0 217.372 3.739 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509344142 528073498 /nfs/dbraw/zinc/07/34/98/528073498.db2.gz SMNCTWGPJMRVHG-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000509344143 528082061 /nfs/dbraw/zinc/08/20/61/528082061.db2.gz SMNCTWGPJMRVHG-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509344144 528074493 /nfs/dbraw/zinc/07/44/93/528074493.db2.gz SMNCTWGPJMRVHG-XQQFMLRXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000509344145 528082314 /nfs/dbraw/zinc/08/23/14/528082314.db2.gz SMNCTWGPJMRVHG-YNEHKIRRSA-N 1 0 215.356 3.635 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCCCF ZINC000509346907 528261279 /nfs/dbraw/zinc/26/12/79/528261279.db2.gz YSENAPFIEDOLHS-CYBMUJFWSA-N 1 0 215.356 3.781 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCCCF ZINC000509346908 528274963 /nfs/dbraw/zinc/27/49/63/528274963.db2.gz YSENAPFIEDOLHS-ZDUSSCGKSA-N 1 0 215.356 3.781 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000509347826 529314746 /nfs/dbraw/zinc/31/47/46/529314746.db2.gz FMJVTDYMILHICL-SECBINFHSA-N 1 0 245.288 3.582 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000509347827 529650786 /nfs/dbraw/zinc/65/07/86/529650786.db2.gz FMJVTDYMILHICL-VIFPVBQESA-N 1 0 245.288 3.582 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1N(C)C)C(C)C ZINC000509355882 527949468 /nfs/dbraw/zinc/94/94/68/527949468.db2.gz FPRWQMNXLBXSLL-UHFFFAOYSA-N 1 0 248.414 3.619 20 0 BHADRO CCCC[NH+](CCCC)CC1CC(OCC)C1 ZINC000509357858 528404388 /nfs/dbraw/zinc/40/43/88/528404388.db2.gz MBPCPKKIYSUKRB-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[NH+](CCCC)CC[C@@H](C)F ZINC000509361244 528404496 /nfs/dbraw/zinc/40/44/96/528404496.db2.gz YXOALKHJCRBXLL-GFCCVEGCSA-N 1 0 203.345 3.637 20 0 BHADRO CCCC[NH+](CCCC)CC[C@H](C)F ZINC000509361246 528403843 /nfs/dbraw/zinc/40/38/43/528403843.db2.gz YXOALKHJCRBXLL-LBPRGKRZSA-N 1 0 203.345 3.637 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCCF ZINC000509363787 527877393 /nfs/dbraw/zinc/87/73/93/527877393.db2.gz BWPDOMYJGYHLCG-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCCF ZINC000509363788 528444517 /nfs/dbraw/zinc/44/45/17/528444517.db2.gz BWPDOMYJGYHLCG-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCF ZINC000509363791 527876519 /nfs/dbraw/zinc/87/65/19/527876519.db2.gz BWPDOMYJGYHLCG-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCCF ZINC000509363792 528442395 /nfs/dbraw/zinc/44/23/95/528442395.db2.gz BWPDOMYJGYHLCG-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC[C@H](C)F ZINC000509367781 527878092 /nfs/dbraw/zinc/87/80/92/527878092.db2.gz VUQDXHUEJWDNSR-FRRDWIJNSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC[C@@H](C)F ZINC000509367782 527877702 /nfs/dbraw/zinc/87/77/02/527877702.db2.gz VUQDXHUEJWDNSR-JHJVBQTASA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC[C@H](C)F ZINC000509367783 527875750 /nfs/dbraw/zinc/87/57/50/527875750.db2.gz VUQDXHUEJWDNSR-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC[C@@H](C)F ZINC000509367784 527876635 /nfs/dbraw/zinc/87/66/35/527876635.db2.gz VUQDXHUEJWDNSR-YNEHKIRRSA-N 1 0 215.356 3.635 20 0 BHADRO CCOc1cccc(C[N@H+](C)C[C@H](C)CC)c1 ZINC000509372409 528643128 /nfs/dbraw/zinc/64/31/28/528643128.db2.gz MTFPGRKVFLUEHW-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CCOc1cccc(C[N@H+](C)C[C@@H](C)CC)c1 ZINC000509372410 528642964 /nfs/dbraw/zinc/64/29/64/528642964.db2.gz MTFPGRKVFLUEHW-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO COCCCC[NH+]1CCC(CCC(C)C)CC1 ZINC000509372453 229272118 /nfs/dbraw/zinc/27/21/18/229272118.db2.gz NJOPVQLGDJDAMC-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1 ZINC000509377474 528587883 /nfs/dbraw/zinc/58/78/83/528587883.db2.gz DKCZGHWTKSUHEI-BXUZGUMPSA-N 1 0 241.325 3.861 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1 ZINC000509377475 529121099 /nfs/dbraw/zinc/12/10/99/529121099.db2.gz DKCZGHWTKSUHEI-FZMZJTMJSA-N 1 0 241.325 3.861 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1 ZINC000509377477 529121186 /nfs/dbraw/zinc/12/11/86/529121186.db2.gz DKCZGHWTKSUHEI-RISCZKNCSA-N 1 0 241.325 3.861 20 0 BHADRO CC(C)[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1 ZINC000509377479 528586458 /nfs/dbraw/zinc/58/64/58/528586458.db2.gz DKCZGHWTKSUHEI-SMDDNHRTSA-N 1 0 241.325 3.861 20 0 BHADRO CC(C)[C@H]([NH2+]CCCCF)c1ccc(F)cc1 ZINC000509378972 529120380 /nfs/dbraw/zinc/12/03/80/529120380.db2.gz MDEQAYAZTYRODS-AWEZNQCLSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCCF)c1ccc(F)cc1 ZINC000509378973 528585997 /nfs/dbraw/zinc/58/59/97/528585997.db2.gz MDEQAYAZTYRODS-CQSZACIVSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(F)c1F)C(C)C ZINC000509384163 527945191 /nfs/dbraw/zinc/94/51/91/527945191.db2.gz GHIDFEFARRDHGM-UHFFFAOYSA-N 1 0 241.325 3.831 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(Cl)o1)C(C)C ZINC000509387281 527944449 /nfs/dbraw/zinc/94/44/49/527944449.db2.gz NZXRADNOLUSNAM-UHFFFAOYSA-N 1 0 229.751 3.799 20 0 BHADRO CC(C)C[N@H+](C[C@H]1CC=CCC1)C(C)C ZINC000509387650 527945599 /nfs/dbraw/zinc/94/55/99/527945599.db2.gz OTZLHYZEQGYDFD-AWEZNQCLSA-N 1 0 209.377 3.709 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1CC=CCC1)C(C)C ZINC000509387653 527943752 /nfs/dbraw/zinc/94/37/52/527943752.db2.gz OTZLHYZEQGYDFD-CQSZACIVSA-N 1 0 209.377 3.709 20 0 BHADRO C[C@@H](F)CC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000509391097 534275408 /nfs/dbraw/zinc/27/54/08/534275408.db2.gz DBHRPUYVRWLTQL-CHWSQXEVSA-N 1 0 235.346 3.960 20 0 BHADRO C[C@@H](F)CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000509391098 534275256 /nfs/dbraw/zinc/27/52/56/534275256.db2.gz DBHRPUYVRWLTQL-OLZOCXBDSA-N 1 0 235.346 3.960 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+](CC[C@H](C)F)C1CC1 ZINC000509391099 229272652 /nfs/dbraw/zinc/27/26/52/229272652.db2.gz DBHRPUYVRWLTQL-QWHCGFSZSA-N 1 0 235.346 3.960 20 0 BHADRO C[C@H](F)CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000509391100 229273054 /nfs/dbraw/zinc/27/30/54/229273054.db2.gz DBHRPUYVRWLTQL-STQMWFEESA-N 1 0 235.346 3.960 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000509393911 529651204 /nfs/dbraw/zinc/65/12/04/529651204.db2.gz TXFWASPTTTWBCF-CWRNSKLLSA-N 1 0 231.383 3.768 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000509393912 529651090 /nfs/dbraw/zinc/65/10/90/529651090.db2.gz TXFWASPTTTWBCF-IMJJTQAJSA-N 1 0 231.383 3.768 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000509393913 529650736 /nfs/dbraw/zinc/65/07/36/529650736.db2.gz TXFWASPTTTWBCF-NUEKZKHPSA-N 1 0 231.383 3.768 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](CCCCF)C1CC1 ZINC000509394593 229272629 /nfs/dbraw/zinc/27/26/29/229272629.db2.gz ZLWVAEIDANTZLA-CYBMUJFWSA-N 1 0 235.346 3.962 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](CCCCF)C1CC1 ZINC000509394594 534104306 /nfs/dbraw/zinc/10/43/06/534104306.db2.gz ZLWVAEIDANTZLA-ZDUSSCGKSA-N 1 0 235.346 3.962 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000509399231 529314251 /nfs/dbraw/zinc/31/42/51/529314251.db2.gz AYNFFMHHMGADRU-GFCCVEGCSA-N 1 0 230.355 3.646 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000509399232 529650796 /nfs/dbraw/zinc/65/07/96/529650796.db2.gz AYNFFMHHMGADRU-LBPRGKRZSA-N 1 0 230.355 3.646 20 0 BHADRO CC[C@H](C)C[N@H+](C)C/C=C\c1ccccc1OC ZINC000509400880 529650897 /nfs/dbraw/zinc/65/08/97/529650897.db2.gz QVQGVTGKKTXDBH-GDAGCXPBSA-N 1 0 247.382 3.686 20 0 BHADRO CC[C@H](C)C[N@H+](C)C/C=C/c1ccccc1OC ZINC000509400881 529651174 /nfs/dbraw/zinc/65/11/74/529651174.db2.gz QVQGVTGKKTXDBH-PLWJUESGSA-N 1 0 247.382 3.686 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1OC ZINC000509400883 529313550 /nfs/dbraw/zinc/31/35/50/529313550.db2.gz QVQGVTGKKTXDBH-QQBNSCQMSA-N 1 0 247.382 3.686 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1OC ZINC000509400885 529314082 /nfs/dbraw/zinc/31/40/82/529314082.db2.gz QVQGVTGKKTXDBH-QSYFUGGGSA-N 1 0 247.382 3.686 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000509402008 529314769 /nfs/dbraw/zinc/31/47/69/529314769.db2.gz VRACREJGFWCHIM-SECBINFHSA-N 1 0 245.288 3.582 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000509402009 529650903 /nfs/dbraw/zinc/65/09/03/529650903.db2.gz VRACREJGFWCHIM-VIFPVBQESA-N 1 0 245.288 3.582 20 0 BHADRO CCc1ccc(C[N@H+](CC(C)C)C(C)C)o1 ZINC000509406572 529636868 /nfs/dbraw/zinc/63/68/68/529636868.db2.gz XOJQLOLUJSAWEP-UHFFFAOYSA-N 1 0 223.360 3.708 20 0 BHADRO CCC[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000509433413 528181070 /nfs/dbraw/zinc/18/10/70/528181070.db2.gz CZRLWSNVFQFYES-UHFFFAOYSA-N 1 0 245.366 3.584 20 0 BHADRO Clc1ccccc1C1=CC[N@H+](CC2CC2)CC1 ZINC000509466838 229275900 /nfs/dbraw/zinc/27/59/00/229275900.db2.gz ZHOAOSBHCBPRNB-UHFFFAOYSA-N 1 0 247.769 3.839 20 0 BHADRO CC(C)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509481439 528985807 /nfs/dbraw/zinc/98/58/07/528985807.db2.gz UBNMZFFDHLTMIV-UHFFFAOYSA-N 1 0 235.758 3.838 20 0 BHADRO CCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509516160 528180621 /nfs/dbraw/zinc/18/06/21/528180621.db2.gz JYFZLCYZDIRGBA-UHFFFAOYSA-N 1 0 235.758 3.839 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000509544874 529298330 /nfs/dbraw/zinc/29/83/30/529298330.db2.gz RXKDGINRTLVDBW-GFCCVEGCSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000509544875 529216749 /nfs/dbraw/zinc/21/67/49/529216749.db2.gz RXKDGINRTLVDBW-LBPRGKRZSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000509546085 529298548 /nfs/dbraw/zinc/29/85/48/529298548.db2.gz UKYWYXWPFCIJQE-LLVKDONJSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000509546087 529216989 /nfs/dbraw/zinc/21/69/89/529216989.db2.gz UKYWYXWPFCIJQE-NSHDSACASA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000509549553 529299420 /nfs/dbraw/zinc/29/94/20/529299420.db2.gz OTDRHSYKGWGKKB-GFCCVEGCSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000509549555 529218046 /nfs/dbraw/zinc/21/80/46/529218046.db2.gz OTDRHSYKGWGKKB-LBPRGKRZSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000509562085 529298755 /nfs/dbraw/zinc/29/87/55/529298755.db2.gz XUOCPTNFSMFYCO-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000509562086 529216938 /nfs/dbraw/zinc/21/69/38/529216938.db2.gz XUOCPTNFSMFYCO-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000509574450 529298561 /nfs/dbraw/zinc/29/85/61/529298561.db2.gz JAZIVOGEPGCIMJ-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000509574454 529216873 /nfs/dbraw/zinc/21/68/73/529216873.db2.gz JAZIVOGEPGCIMJ-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO FCCCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000509581678 229279121 /nfs/dbraw/zinc/27/91/21/229279121.db2.gz CCCLKPJKVQFQOT-UHFFFAOYSA-N 1 0 249.373 3.881 20 0 BHADRO Cc1ccccc1C1CC[NH+](CC[C@H](C)F)CC1 ZINC000509583590 229278318 /nfs/dbraw/zinc/27/83/18/229278318.db2.gz LLMJQLLFYIBJJP-AWEZNQCLSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccccc1C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000509583591 229278842 /nfs/dbraw/zinc/27/88/42/229278842.db2.gz LLMJQLLFYIBJJP-CQSZACIVSA-N 1 0 249.373 3.923 20 0 BHADRO C[N@H+](CCCCc1ccccc1)Cc1ccco1 ZINC000509585548 529885501 /nfs/dbraw/zinc/88/55/01/529885501.db2.gz GQMBKNNKYTXYFH-UHFFFAOYSA-N 1 0 243.350 3.734 20 0 BHADRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000509585645 529977517 /nfs/dbraw/zinc/97/75/17/529977517.db2.gz GYYIQXGYKWZVFC-UHFFFAOYSA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H](F)CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000509586922 229278426 /nfs/dbraw/zinc/27/84/26/229278426.db2.gz UORLCVLCJUEFAP-AWEZNQCLSA-N 1 0 249.373 3.880 20 0 BHADRO C[C@@H](F)CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000509586923 229278410 /nfs/dbraw/zinc/27/84/10/229278410.db2.gz UORLCVLCJUEFAP-CQSZACIVSA-N 1 0 249.373 3.880 20 0 BHADRO Cc1ccccc1C1CC[NH+](CCCCF)CC1 ZINC000509588285 229278670 /nfs/dbraw/zinc/27/86/70/229278670.db2.gz ZCNDVPCFVJBGAG-UHFFFAOYSA-N 1 0 249.373 3.924 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000509607653 229278376 /nfs/dbraw/zinc/27/83/76/229278376.db2.gz ILBRKZZBOPZFGM-OLZOCXBDSA-N 1 0 249.373 3.964 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000509607655 229279148 /nfs/dbraw/zinc/27/91/48/229279148.db2.gz ILBRKZZBOPZFGM-STQMWFEESA-N 1 0 249.373 3.964 20 0 BHADRO CCC[N@@H+](CCc1cccs1)CC[C@@H](C)F ZINC000509617435 528116021 /nfs/dbraw/zinc/11/60/21/528116021.db2.gz AEPDZEXXJVYHRW-GFCCVEGCSA-N 1 0 243.391 3.751 20 0 BHADRO CCC[N@@H+](CCc1cccs1)CC[C@H](C)F ZINC000509617436 528115030 /nfs/dbraw/zinc/11/50/30/528115030.db2.gz AEPDZEXXJVYHRW-LBPRGKRZSA-N 1 0 243.391 3.751 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC[C@@H](C)F ZINC000509619791 529330096 /nfs/dbraw/zinc/33/00/96/529330096.db2.gz RYYDUMKCWDIUAF-DOMZBBRYSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H](C)F ZINC000509619793 529463150 /nfs/dbraw/zinc/46/31/50/529463150.db2.gz RYYDUMKCWDIUAF-IUODEOHRSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H](C)F ZINC000509619795 529463096 /nfs/dbraw/zinc/46/30/96/529463096.db2.gz RYYDUMKCWDIUAF-SWLSCSKDSA-N 1 0 235.346 3.571 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC[C@H](C)F ZINC000509619796 529330011 /nfs/dbraw/zinc/33/00/11/529330011.db2.gz RYYDUMKCWDIUAF-WFASDCNBSA-N 1 0 235.346 3.571 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000509620416 229278010 /nfs/dbraw/zinc/27/80/10/229278010.db2.gz ILBRKZZBOPZFGM-CHWSQXEVSA-N 1 0 249.373 3.964 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc2c(c1)CCCC2 ZINC000509620417 229278930 /nfs/dbraw/zinc/27/89/30/229278930.db2.gz ILBRKZZBOPZFGM-QWHCGFSZSA-N 1 0 249.373 3.964 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000509625217 488314678 /nfs/dbraw/zinc/31/46/78/488314678.db2.gz KHNOVRBDQICQSI-DZGCQCFKSA-N 1 0 235.346 3.962 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000509625221 488314810 /nfs/dbraw/zinc/31/48/10/488314810.db2.gz KHNOVRBDQICQSI-HIFRSBDPSA-N 1 0 235.346 3.962 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000509625223 488314983 /nfs/dbraw/zinc/31/49/83/488314983.db2.gz KHNOVRBDQICQSI-UKRRQHHQSA-N 1 0 235.346 3.962 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000509625226 488314903 /nfs/dbraw/zinc/31/49/03/488314903.db2.gz KHNOVRBDQICQSI-ZFWWWQNUSA-N 1 0 235.346 3.962 20 0 BHADRO CCC[N@H+](CCCCF)CCc1cccs1 ZINC000509625689 528063894 /nfs/dbraw/zinc/06/38/94/528063894.db2.gz ZTZTWPXANNZVRO-UHFFFAOYSA-N 1 0 243.391 3.752 20 0 BHADRO FCCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000509627279 488314819 /nfs/dbraw/zinc/31/48/19/488314819.db2.gz YCBTXTMEDMMMCE-HNNXBMFYSA-N 1 0 235.346 3.963 20 0 BHADRO FCCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000509627280 488314905 /nfs/dbraw/zinc/31/49/05/488314905.db2.gz YCBTXTMEDMMMCE-OAHLLOKOSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000509636401 534276180 /nfs/dbraw/zinc/27/61/80/534276180.db2.gz HEGJHUIOZAETBD-GDBMZVCRSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000509636402 229278282 /nfs/dbraw/zinc/27/82/82/229278282.db2.gz HEGJHUIOZAETBD-GOEBONIOSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000509636403 229279151 /nfs/dbraw/zinc/27/91/51/229279151.db2.gz HEGJHUIOZAETBD-HOCLYGCPSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000509636404 534276589 /nfs/dbraw/zinc/27/65/89/534276589.db2.gz HEGJHUIOZAETBD-ZBFHGGJFSA-N 1 0 249.373 3.832 20 0 BHADRO CC[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1COC ZINC000509637623 529374149 /nfs/dbraw/zinc/37/41/49/529374149.db2.gz VTNKLEPBYMPGTC-JWAFFJSPSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1COC ZINC000509637624 529373839 /nfs/dbraw/zinc/37/38/39/529373839.db2.gz VTNKLEPBYMPGTC-QLKUMGTLSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H](C)[NH2+]C/C(C)=C/c1ccccc1COC ZINC000509637626 529180355 /nfs/dbraw/zinc/18/03/55/529180355.db2.gz VTNKLEPBYMPGTC-UELRPHRMSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H](C)[NH2+]C/C(C)=C\c1ccccc1COC ZINC000509637627 529180057 /nfs/dbraw/zinc/18/00/57/529180057.db2.gz VTNKLEPBYMPGTC-ZVHGMHCTSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000509639752 229279900 /nfs/dbraw/zinc/27/99/00/229279900.db2.gz DOKVEJLNSJENFA-GDBMZVCRSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@H](C)F ZINC000509639754 229280010 /nfs/dbraw/zinc/28/00/10/229280010.db2.gz DOKVEJLNSJENFA-GOEBONIOSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@H](C)F ZINC000509639755 534815502 /nfs/dbraw/zinc/81/55/02/534815502.db2.gz DOKVEJLNSJENFA-HOCLYGCPSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000509639756 534816809 /nfs/dbraw/zinc/81/68/09/534816809.db2.gz DOKVEJLNSJENFA-ZBFHGGJFSA-N 1 0 249.373 3.750 20 0 BHADRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCCF ZINC000509640825 534270107 /nfs/dbraw/zinc/27/01/07/534270107.db2.gz NZIOQWWLBSMKJZ-INIZCTEOSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCCF ZINC000509640827 229279797 /nfs/dbraw/zinc/27/97/97/229279797.db2.gz NZIOQWWLBSMKJZ-MRXNPFEDSA-N 1 0 249.373 3.833 20 0 BHADRO CCC1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC000509642023 527841535 /nfs/dbraw/zinc/84/15/35/527841535.db2.gz IQMMDPOKALVIGM-HIFPTAJRSA-N 1 0 215.356 3.635 20 0 BHADRO CCC1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC000509642029 527840806 /nfs/dbraw/zinc/84/08/06/527840806.db2.gz IQMMDPOKALVIGM-PNESKVBLSA-N 1 0 215.356 3.635 20 0 BHADRO CCC1CCC([N@H+](C)CCCCF)CC1 ZINC000509643193 527840566 /nfs/dbraw/zinc/84/05/66/527840566.db2.gz MTNRTQVMXMXEKO-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000509643436 229279714 /nfs/dbraw/zinc/27/97/14/229279714.db2.gz NQNUQZVPCMLOKX-GWCFXTLKSA-N 1 0 241.737 3.835 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000509643444 229279781 /nfs/dbraw/zinc/27/97/81/229279781.db2.gz NQNUQZVPCMLOKX-GXFFZTMASA-N 1 0 241.737 3.835 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000509643446 534277015 /nfs/dbraw/zinc/27/70/15/534277015.db2.gz NQNUQZVPCMLOKX-MFKMUULPSA-N 1 0 241.737 3.835 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000509643448 534277107 /nfs/dbraw/zinc/27/71/07/534277107.db2.gz NQNUQZVPCMLOKX-ZWNOBZJWSA-N 1 0 241.737 3.835 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCCCF ZINC000509644489 534816749 /nfs/dbraw/zinc/81/67/49/534816749.db2.gz SLYQVVSNMDFBOB-INIZCTEOSA-N 1 0 249.373 3.752 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCCCF ZINC000509644490 229280040 /nfs/dbraw/zinc/28/00/40/229280040.db2.gz SLYQVVSNMDFBOB-MRXNPFEDSA-N 1 0 249.373 3.752 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CC[C@@H](C)F)C1CC1 ZINC000509648513 529202781 /nfs/dbraw/zinc/20/27/81/529202781.db2.gz BTDVKBSDQWUFNI-QJPTWQEYSA-N 1 0 215.356 3.634 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CC[C@H](C)F)C1CC1 ZINC000509648514 529202867 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ZINC000509656773 229279503 /nfs/dbraw/zinc/27/95/03/229279503.db2.gz KKIWKOLAQZFSKN-MRXNPFEDSA-N 1 0 249.373 3.691 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000509658424 534276121 /nfs/dbraw/zinc/27/61/21/534276121.db2.gz QIXCVNYWONGARO-GDBMZVCRSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000509658425 229279330 /nfs/dbraw/zinc/27/93/30/229279330.db2.gz QIXCVNYWONGARO-GOEBONIOSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000509658426 229280085 /nfs/dbraw/zinc/28/00/85/229280085.db2.gz QIXCVNYWONGARO-HOCLYGCPSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000509658427 534276386 /nfs/dbraw/zinc/27/63/86/534276386.db2.gz QIXCVNYWONGARO-ZBFHGGJFSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@@H]1C[N@H+](CCCCF)CC[C@H]1c1ccccc1 ZINC000509659852 229279973 /nfs/dbraw/zinc/27/99/73/229279973.db2.gz ZCEPEUGAEYLTHW-GDBMZVCRSA-N 1 0 249.373 3.862 20 0 BHADRO 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249.373 3.860 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000509659956 229280574 /nfs/dbraw/zinc/28/05/74/229280574.db2.gz ZINYRWYECDJATR-YCPHGPKFSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000509663461 534276576 /nfs/dbraw/zinc/27/65/76/534276576.db2.gz DEIXAQYCRAXUII-CHWSQXEVSA-N 1 0 239.334 3.945 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000509663463 534276264 /nfs/dbraw/zinc/27/62/64/534276264.db2.gz DEIXAQYCRAXUII-OLZOCXBDSA-N 1 0 239.334 3.945 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000509663465 229281197 /nfs/dbraw/zinc/28/11/97/229281197.db2.gz DEIXAQYCRAXUII-QWHCGFSZSA-N 1 0 239.334 3.945 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000509663466 229281646 /nfs/dbraw/zinc/28/16/46/229281646.db2.gz DEIXAQYCRAXUII-STQMWFEESA-N 1 0 239.334 3.945 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC000509669924 529229168 /nfs/dbraw/zinc/22/91/68/529229168.db2.gz HQXQJBRIYBASEW-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC000509669926 529267767 /nfs/dbraw/zinc/26/77/67/529267767.db2.gz HQXQJBRIYBASEW-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC000509669928 529229267 /nfs/dbraw/zinc/22/92/67/529229267.db2.gz HQXQJBRIYBASEW-XQQFMLRXSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC000509669930 529267343 /nfs/dbraw/zinc/26/73/43/529267343.db2.gz HQXQJBRIYBASEW-YNEHKIRRSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@@H](F)CC[N@H+](CC1CC1)C1CCCCC1 ZINC000509671173 534275795 /nfs/dbraw/zinc/27/57/95/534275795.db2.gz OAZFTYIBTMEPHR-GFCCVEGCSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@H](F)CC[N@H+](CC1CC1)C1CCCCC1 ZINC000509671174 229280701 /nfs/dbraw/zinc/28/07/01/229280701.db2.gz OAZFTYIBTMEPHR-LBPRGKRZSA-N 1 0 227.367 3.779 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCCF)C1 ZINC000509672066 229281283 /nfs/dbraw/zinc/28/12/83/229281283.db2.gz SKWLISFDCYPTFQ-CABCVRRESA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCCF)C1 ZINC000509672067 229281953 /nfs/dbraw/zinc/28/19/53/229281953.db2.gz SKWLISFDCYPTFQ-GJZGRUSLSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCCF)C1 ZINC000509672069 229281811 /nfs/dbraw/zinc/28/18/11/229281811.db2.gz SKWLISFDCYPTFQ-HUUCEWRRSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCCF)C1 ZINC000509672070 229282158 /nfs/dbraw/zinc/28/21/58/229282158.db2.gz SKWLISFDCYPTFQ-LSDHHAIUSA-N 1 0 249.373 3.923 20 0 BHADRO FCCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000509672107 229282041 /nfs/dbraw/zinc/28/20/41/229282041.db2.gz SREDIQHBBYWIME-UHFFFAOYSA-N 1 0 227.367 3.781 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@@H](C)F)C1 ZINC000509672194 229282072 /nfs/dbraw/zinc/28/20/72/229282072.db2.gz UDMBDRGCVHZVCK-QLFBSQMISA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@@H](C)F)C1 ZINC000509672195 229282431 /nfs/dbraw/zinc/28/24/31/229282431.db2.gz UDMBDRGCVHZVCK-RBSFLKMASA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@H](C)F)C1 ZINC000509672197 229281739 /nfs/dbraw/zinc/28/17/39/229281739.db2.gz UDMBDRGCVHZVCK-RRFJBIMHSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@H](C)F)C1 ZINC000509672199 229281842 /nfs/dbraw/zinc/28/18/42/229281842.db2.gz UDMBDRGCVHZVCK-SOUVJXGZSA-N 1 0 249.373 3.921 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCCF ZINC000509673428 529426044 /nfs/dbraw/zinc/42/60/44/529426044.db2.gz ZWYBTQXLNXSEHC-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCCF ZINC000509673429 529406599 /nfs/dbraw/zinc/40/65/99/529406599.db2.gz ZWYBTQXLNXSEHC-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCCF ZINC000509673430 529267469 /nfs/dbraw/zinc/26/74/69/529267469.db2.gz ZWYBTQXLNXSEHC-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCCF ZINC000509673431 529228675 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/nfs/dbraw/zinc/78/05/26/528780526.db2.gz HUXCJFNDIXAJBP-LBPRGKRZSA-N 1 0 217.372 3.881 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCCCF)C1 ZINC000509679565 528501144 /nfs/dbraw/zinc/50/11/44/528501144.db2.gz HYIMWMJWFGKIMS-CYBMUJFWSA-N 1 0 215.356 3.638 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCCCF)C1 ZINC000509679566 527934675 /nfs/dbraw/zinc/93/46/75/527934675.db2.gz HYIMWMJWFGKIMS-ZDUSSCGKSA-N 1 0 215.356 3.638 20 0 BHADRO CCC(CC)[N@H+](CCCCF)CC(C)C ZINC000509680945 528775021 /nfs/dbraw/zinc/77/50/21/528775021.db2.gz LSEUKPHGGRRMAS-UHFFFAOYSA-N 1 0 217.372 3.883 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)CCCCF)cc1 ZINC000509681028 229281674 /nfs/dbraw/zinc/28/16/74/229281674.db2.gz COGMPWWJWAQCJV-AWEZNQCLSA-N 1 0 237.362 3.608 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)CCCCF)cc1 ZINC000509681032 534113998 /nfs/dbraw/zinc/11/39/98/534113998.db2.gz COGMPWWJWAQCJV-CQSZACIVSA-N 1 0 237.362 3.608 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000509682412 534276358 /nfs/dbraw/zinc/27/63/58/534276358.db2.gz OMNZOPMJDIPLQO-GDBMZVCRSA-N 1 0 249.373 3.788 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000509682417 229282414 /nfs/dbraw/zinc/28/24/14/229282414.db2.gz OMNZOPMJDIPLQO-GOEBONIOSA-N 1 0 249.373 3.788 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000509682419 229281503 /nfs/dbraw/zinc/28/15/03/229281503.db2.gz OMNZOPMJDIPLQO-HOCLYGCPSA-N 1 0 249.373 3.788 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000509682422 534276488 /nfs/dbraw/zinc/27/64/88/534276488.db2.gz OMNZOPMJDIPLQO-ZBFHGGJFSA-N 1 0 249.373 3.788 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCCF)cc1 ZINC000509683192 534134249 /nfs/dbraw/zinc/13/42/49/534134249.db2.gz QENHLQCMDZGEHM-INIZCTEOSA-N 1 0 249.373 3.752 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCCCF)cc1 ZINC000509683201 229282332 /nfs/dbraw/zinc/28/23/32/229282332.db2.gz QENHLQCMDZGEHM-MRXNPFEDSA-N 1 0 249.373 3.752 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H](C)F)cc1 ZINC000509683255 229282030 /nfs/dbraw/zinc/28/20/30/229282030.db2.gz QPEBTDGRHDUGTL-GDBMZVCRSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@H](C)F)cc1 ZINC000509683256 229282025 /nfs/dbraw/zinc/28/20/25/229282025.db2.gz QPEBTDGRHDUGTL-GOEBONIOSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H](C)F)cc1 ZINC000509683258 534133030 /nfs/dbraw/zinc/13/30/30/534133030.db2.gz QPEBTDGRHDUGTL-HOCLYGCPSA-N 1 0 249.373 3.750 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H](C)F)cc1 ZINC000509683260 534133156 /nfs/dbraw/zinc/13/31/56/534133156.db2.gz QPEBTDGRHDUGTL-ZBFHGGJFSA-N 1 0 249.373 3.750 20 0 BHADRO COCCCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000509683538 229282103 /nfs/dbraw/zinc/28/21/03/229282103.db2.gz JGYQNDZOCDAYCF-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO COCCCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000509683539 229282119 /nfs/dbraw/zinc/28/21/19/229282119.db2.gz JGYQNDZOCDAYCF-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](CCCCF)C1 ZINC000509683944 229281257 /nfs/dbraw/zinc/28/12/57/229281257.db2.gz SJZBDSGPWUXAKQ-INIZCTEOSA-N 1 0 249.373 3.790 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](CCCCF)C1 ZINC000509683945 229281716 /nfs/dbraw/zinc/28/17/16/229281716.db2.gz SJZBDSGPWUXAKQ-MRXNPFEDSA-N 1 0 249.373 3.790 20 0 BHADRO Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@H](C)F)cc1 ZINC000509685020 229282086 /nfs/dbraw/zinc/28/20/86/229282086.db2.gz MLZBSQRQDFBUEJ-KBPBESRZSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@@H](C)F)cc1 ZINC000509685024 229281463 /nfs/dbraw/zinc/28/14/63/229281463.db2.gz MLZBSQRQDFBUEJ-KGLIPLIRSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@H](C)F)cc1 ZINC000509685026 534113691 /nfs/dbraw/zinc/11/36/91/534113691.db2.gz MLZBSQRQDFBUEJ-UONOGXRCSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@@H](C)F)cc1 ZINC000509685029 534113865 /nfs/dbraw/zinc/11/38/65/534113865.db2.gz MLZBSQRQDFBUEJ-ZIAGYGMSSA-N 1 0 237.362 3.606 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](CCCCF)CC1 ZINC000509688070 526652944 /nfs/dbraw/zinc/65/29/44/526652944.db2.gz LDUCWKIWIZFSIT-CYBMUJFWSA-N 1 0 229.383 3.884 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](CCCCF)CC1 ZINC000509688072 526720590 /nfs/dbraw/zinc/72/05/90/526720590.db2.gz LDUCWKIWIZFSIT-ZDUSSCGKSA-N 1 0 229.383 3.884 20 0 BHADRO COCCCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000509689595 229283939 /nfs/dbraw/zinc/28/39/39/229283939.db2.gz VEKJGDMYRRMUAK-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO COCCCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000509689596 229283652 /nfs/dbraw/zinc/28/36/52/229283652.db2.gz VEKJGDMYRRMUAK-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO FCCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000509693577 229283688 /nfs/dbraw/zinc/28/36/88/229283688.db2.gz ABZNOKYXRXOWIZ-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO FCCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000509694043 229282808 /nfs/dbraw/zinc/28/28/08/229282808.db2.gz BWDDWPXQQSDSRJ-INIZCTEOSA-N 1 0 249.373 3.833 20 0 BHADRO FCCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000509694044 229283577 /nfs/dbraw/zinc/28/35/77/229283577.db2.gz BWDDWPXQQSDSRJ-MRXNPFEDSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000509694652 229283728 /nfs/dbraw/zinc/28/37/28/229283728.db2.gz DSNFUEDIIDBVQO-GUTXKFCHSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000509694654 229283947 /nfs/dbraw/zinc/28/39/47/229283947.db2.gz DSNFUEDIIDBVQO-GZBFAFLISA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000509694655 229283896 /nfs/dbraw/zinc/28/38/96/229283896.db2.gz DSNFUEDIIDBVQO-KCQAQPDRSA-N 1 0 235.346 3.613 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000509694656 229282786 /nfs/dbraw/zinc/28/27/86/229282786.db2.gz DSNFUEDIIDBVQO-YDHLFZDLSA-N 1 0 235.346 3.613 20 0 BHADRO CCOC1CC(C[NH2+]C(C)(C)CC(C)(C)C)C1 ZINC000509696147 528501203 /nfs/dbraw/zinc/50/12/03/528501203.db2.gz HRAWKBTUBWCIEU-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000509696529 534276027 /nfs/dbraw/zinc/27/60/27/534276027.db2.gz JOMBLWUSNNWEPE-GDBMZVCRSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000509696530 229283788 /nfs/dbraw/zinc/28/37/88/229283788.db2.gz JOMBLWUSNNWEPE-GOEBONIOSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000509696532 229283920 /nfs/dbraw/zinc/28/39/20/229283920.db2.gz JOMBLWUSNNWEPE-HOCLYGCPSA-N 1 0 249.373 3.832 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000509696535 534276541 /nfs/dbraw/zinc/27/65/41/534276541.db2.gz JOMBLWUSNNWEPE-ZBFHGGJFSA-N 1 0 249.373 3.832 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCCF ZINC000509696706 529542069 /nfs/dbraw/zinc/54/20/69/529542069.db2.gz ITYXVZVTXLGPQZ-HNNXBMFYSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CCCCF ZINC000509696707 529427543 /nfs/dbraw/zinc/42/75/43/529427543.db2.gz ITYXVZVTXLGPQZ-OAHLLOKOSA-N 1 0 237.362 3.689 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@H](C)F ZINC000509698919 529427401 /nfs/dbraw/zinc/42/74/01/529427401.db2.gz OTFHUHYXQUVVLS-DZGCQCFKSA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@@H](C)F ZINC000509698921 529542001 /nfs/dbraw/zinc/54/20/01/529542001.db2.gz OTFHUHYXQUVVLS-HIFRSBDPSA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@@H](C)F ZINC000509698922 529427419 /nfs/dbraw/zinc/42/74/19/529427419.db2.gz OTFHUHYXQUVVLS-UKRRQHHQSA-N 1 0 237.362 3.688 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@H](C)F ZINC000509698924 529541654 /nfs/dbraw/zinc/54/16/54/529541654.db2.gz OTFHUHYXQUVVLS-ZFWWWQNUSA-N 1 0 237.362 3.688 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCCF ZINC000509701427 229283190 /nfs/dbraw/zinc/28/31/90/229283190.db2.gz WOKKMBQXTZOOBM-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCCF ZINC000509701428 533996341 /nfs/dbraw/zinc/99/63/41/533996341.db2.gz WOKKMBQXTZOOBM-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCCF ZINC000509701430 533690828 /nfs/dbraw/zinc/69/08/28/533690828.db2.gz WOKKMBQXTZOOBM-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCCF ZINC000509701431 229283846 /nfs/dbraw/zinc/28/38/46/229283846.db2.gz WOKKMBQXTZOOBM-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000509701841 534276052 /nfs/dbraw/zinc/27/60/52/534276052.db2.gz XLYLEDSHUUBJLH-CYBMUJFWSA-N 1 0 227.367 3.781 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000509701843 229283692 /nfs/dbraw/zinc/28/36/92/229283692.db2.gz XLYLEDSHUUBJLH-ZDUSSCGKSA-N 1 0 227.367 3.781 20 0 BHADRO CCCC[NH2+]C/C(C)=C\c1ccccc1COC ZINC000509721759 528553393 /nfs/dbraw/zinc/55/33/93/528553393.db2.gz XZDWKHNQBQCNBV-KAMYIIQDSA-N 1 0 247.382 3.626 20 0 BHADRO CCCC[NH2+]C/C(C)=C/c1ccccc1COC ZINC000509721760 528552801 /nfs/dbraw/zinc/55/28/01/528552801.db2.gz XZDWKHNQBQCNBV-SDNWHVSQSA-N 1 0 247.382 3.626 20 0 BHADRO CCC[N@H+](CC[C@@H](C)F)Cc1ccccc1 ZINC000509818055 528102439 /nfs/dbraw/zinc/10/24/39/528102439.db2.gz FOJDZAHNXRIZBP-CYBMUJFWSA-N 1 0 223.335 3.647 20 0 BHADRO CCC[N@H+](CC[C@H](C)F)Cc1ccccc1 ZINC000509818056 528103067 /nfs/dbraw/zinc/10/30/67/528103067.db2.gz FOJDZAHNXRIZBP-ZDUSSCGKSA-N 1 0 223.335 3.647 20 0 BHADRO CC[N@H+](CCCCF)Cc1ccc(Cl)s1 ZINC000509845601 528432956 /nfs/dbraw/zinc/43/29/56/528432956.db2.gz CZWWPBKGMCQOSQ-UHFFFAOYSA-N 1 0 249.782 3.973 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCCF)cc1 ZINC000509846149 229287130 /nfs/dbraw/zinc/28/71/30/229287130.db2.gz LQWYSFLWCYJITB-HNNXBMFYSA-N 1 0 235.346 3.882 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CCCCF)cc1 ZINC000509846150 229286682 /nfs/dbraw/zinc/28/66/82/229286682.db2.gz LQWYSFLWCYJITB-OAHLLOKOSA-N 1 0 235.346 3.882 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1ccc(Cl)s1 ZINC000509847301 528584767 /nfs/dbraw/zinc/58/47/67/528584767.db2.gz QYUSSUPEULHTED-SECBINFHSA-N 1 0 249.782 3.972 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1ccc(Cl)s1 ZINC000509847302 528585165 /nfs/dbraw/zinc/58/51/65/528585165.db2.gz QYUSSUPEULHTED-VIFPVBQESA-N 1 0 249.782 3.972 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC[C@H](C)F)cc1 ZINC000509850009 229286277 /nfs/dbraw/zinc/28/62/77/229286277.db2.gz YMTUUJCPXUOUGR-DZGCQCFKSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H](C)F)cc1 ZINC000509850010 229286206 /nfs/dbraw/zinc/28/62/06/229286206.db2.gz YMTUUJCPXUOUGR-HIFRSBDPSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H](C)F)cc1 ZINC000509850011 229286476 /nfs/dbraw/zinc/28/64/76/229286476.db2.gz YMTUUJCPXUOUGR-UKRRQHHQSA-N 1 0 235.346 3.880 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H](C)F)cc1 ZINC000509850012 229287077 /nfs/dbraw/zinc/28/70/77/229287077.db2.gz YMTUUJCPXUOUGR-ZFWWWQNUSA-N 1 0 235.346 3.880 20 0 BHADRO C[C@H](F)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000509855111 229286853 /nfs/dbraw/zinc/28/68/53/229286853.db2.gz QTHZAMGQSPSIBW-AWEZNQCLSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@@H](F)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000509855114 534276305 /nfs/dbraw/zinc/27/63/05/534276305.db2.gz QTHZAMGQSPSIBW-CQSZACIVSA-N 1 0 249.373 3.689 20 0 BHADRO C[N@H+](CCCCF)CCC1CCCCC1 ZINC000509906737 529882560 /nfs/dbraw/zinc/88/25/60/529882560.db2.gz BLJLCEZVNZXRQF-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO C[C@@H](F)CC[N@H+](C)CCC1CCCCC1 ZINC000509908562 534275679 /nfs/dbraw/zinc/27/56/79/534275679.db2.gz IKMNJISSNTYTGZ-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H](F)CC[N@H+](C)CCC1CCCCC1 ZINC000509908563 229287931 /nfs/dbraw/zinc/28/79/31/229287931.db2.gz IKMNJISSNTYTGZ-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H](F)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000509924131 534276322 /nfs/dbraw/zinc/27/63/22/534276322.db2.gz IKVHMEUIIMDSPP-CYBMUJFWSA-N 1 0 227.367 3.781 20 0 BHADRO C[C@H](F)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000509924134 229287477 /nfs/dbraw/zinc/28/74/77/229287477.db2.gz IKVHMEUIIMDSPP-ZDUSSCGKSA-N 1 0 227.367 3.781 20 0 BHADRO FCCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000509930524 229287605 /nfs/dbraw/zinc/28/76/05/229287605.db2.gz YWCDBFDXDHAKAE-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO COCC[C@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000509939048 229288057 /nfs/dbraw/zinc/28/80/57/229288057.db2.gz AHZNNAWIMWFZCB-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000509939049 229287658 /nfs/dbraw/zinc/28/76/58/229287658.db2.gz AHZNNAWIMWFZCB-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000509942520 533313322 /nfs/dbraw/zinc/31/33/22/533313322.db2.gz JIVGRYBACTYERZ-HNNXBMFYSA-N 1 0 249.398 3.536 20 0 BHADRO COCC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000509942524 229288241 /nfs/dbraw/zinc/28/82/41/229288241.db2.gz JIVGRYBACTYERZ-OAHLLOKOSA-N 1 0 249.398 3.536 20 0 BHADRO COCC[C@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000509959364 533312943 /nfs/dbraw/zinc/31/29/43/533312943.db2.gz RFYMFBDURPCGKA-HNNXBMFYSA-N 1 0 249.398 3.536 20 0 BHADRO COCC[C@@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000509959366 229287861 /nfs/dbraw/zinc/28/78/61/229287861.db2.gz RFYMFBDURPCGKA-OAHLLOKOSA-N 1 0 249.398 3.536 20 0 BHADRO COCC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000509964780 533312823 /nfs/dbraw/zinc/31/28/23/533312823.db2.gz UOUXJWYJKKTNQZ-HNNXBMFYSA-N 1 0 249.398 3.536 20 0 BHADRO COCC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000509964781 229288254 /nfs/dbraw/zinc/28/82/54/229288254.db2.gz UOUXJWYJKKTNQZ-OAHLLOKOSA-N 1 0 249.398 3.536 20 0 BHADRO c1cc([C@@H]2CCCC[N@H+]2CCC2CCCC2)n[nH]1 ZINC000510073022 229290997 /nfs/dbraw/zinc/29/09/97/229290997.db2.gz NRRRGEVQBFFGSZ-HNNXBMFYSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@H]2CCCC[N@H+]2CCC2CCCC2)n[nH]1 ZINC000510073024 229290632 /nfs/dbraw/zinc/29/06/32/229290632.db2.gz NRRRGEVQBFFGSZ-OAHLLOKOSA-N 1 0 247.386 3.517 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000510077063 528501999 /nfs/dbraw/zinc/50/19/99/528501999.db2.gz AMVWTRHFGXOECG-AWEZNQCLSA-N 1 0 249.402 3.763 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000510077065 528502378 /nfs/dbraw/zinc/50/23/78/528502378.db2.gz AMVWTRHFGXOECG-CQSZACIVSA-N 1 0 249.402 3.763 20 0 BHADRO c1cc([C@@H]2CCCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000510088117 229291143 /nfs/dbraw/zinc/29/11/43/229291143.db2.gz SEBGSHOHMAWZHP-HNNXBMFYSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@H]2CCCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000510088119 229291220 /nfs/dbraw/zinc/29/12/20/229291220.db2.gz SEBGSHOHMAWZHP-OAHLLOKOSA-N 1 0 247.386 3.517 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](CCCF)CC1 ZINC000510111245 229292464 /nfs/dbraw/zinc/29/24/64/229292464.db2.gz BNPYTFYLISBKDE-INIZCTEOSA-N 1 0 249.373 3.790 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](CCCF)CC1 ZINC000510111246 385829724 /nfs/dbraw/zinc/82/97/24/385829724.db2.gz BNPYTFYLISBKDE-MRXNPFEDSA-N 1 0 249.373 3.790 20 0 BHADRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000510122451 528722714 /nfs/dbraw/zinc/72/27/14/528722714.db2.gz XDSQCNWCYYVJEV-KBPBESRZSA-N 1 0 249.398 3.574 20 0 BHADRO CC[N@H+](C[C@H](C)O)[C@H](C)c1ccc(C(C)C)cc1 ZINC000510122452 528721999 /nfs/dbraw/zinc/72/19/99/528721999.db2.gz XDSQCNWCYYVJEV-UONOGXRCSA-N 1 0 249.398 3.574 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000510132373 527661390 /nfs/dbraw/zinc/66/13/90/527661390.db2.gz KSJLCKJHHMJCGI-AWEZNQCLSA-N 1 0 249.402 3.763 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000510132374 527660962 /nfs/dbraw/zinc/66/09/62/527660962.db2.gz KSJLCKJHHMJCGI-CQSZACIVSA-N 1 0 249.402 3.763 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000510140966 528459681 /nfs/dbraw/zinc/45/96/81/528459681.db2.gz WPPBWNFTRMTAKY-DZGCQCFKSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000510140967 528252611 /nfs/dbraw/zinc/25/26/11/528252611.db2.gz WPPBWNFTRMTAKY-HIFRSBDPSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000510140968 528251290 /nfs/dbraw/zinc/25/12/90/528251290.db2.gz WPPBWNFTRMTAKY-UKRRQHHQSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000510140969 528460188 /nfs/dbraw/zinc/46/01/88/528460188.db2.gz WPPBWNFTRMTAKY-ZFWWWQNUSA-N 1 0 249.402 3.619 20 0 BHADRO CC(C)CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510178097 527741804 /nfs/dbraw/zinc/74/18/04/527741804.db2.gz WTFZSJNMPFNQJK-ARJAWSKDSA-N 1 0 239.309 3.614 20 0 BHADRO CC(C)CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510178099 527741665 /nfs/dbraw/zinc/74/16/65/527741665.db2.gz WTFZSJNMPFNQJK-ONEGZZNKSA-N 1 0 239.309 3.614 20 0 BHADRO CCCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510199411 528212881 /nfs/dbraw/zinc/21/28/81/528212881.db2.gz LYWQBADTECDUIQ-AATRIKPKSA-N 1 0 239.309 3.758 20 0 BHADRO CCCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510199412 528213658 /nfs/dbraw/zinc/21/36/58/528213658.db2.gz LYWQBADTECDUIQ-WAYWQWQTSA-N 1 0 239.309 3.758 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cn1 ZINC000510205384 529654513 /nfs/dbraw/zinc/65/45/13/529654513.db2.gz CVUWQAFJDHETSF-AWEZNQCLSA-N 1 0 248.414 3.948 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)CCCC(C)C)cn1 ZINC000510205386 529656898 /nfs/dbraw/zinc/65/68/98/529656898.db2.gz CVUWQAFJDHETSF-CQSZACIVSA-N 1 0 248.414 3.948 20 0 BHADRO CCC[N@@H+](Cc1ccncc1)CC1CCCCC1 ZINC000510208646 528149507 /nfs/dbraw/zinc/14/95/07/528149507.db2.gz HBTCUYPNVUUKOT-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO c1cc2cc(C[NH2+]C3CCCCC3)ccc2o1 ZINC000510216205 229296246 /nfs/dbraw/zinc/29/62/46/229296246.db2.gz VPOMDFYOGWDWTE-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO CC/C=C\CC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000510217330 528790311 /nfs/dbraw/zinc/79/03/11/528790311.db2.gz ZCHOCLVSEKWIFE-PLNGDYQASA-N 1 0 245.366 3.630 20 0 BHADRO CC/C=C/CC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000510217331 528772257 /nfs/dbraw/zinc/77/22/57/528772257.db2.gz ZCHOCLVSEKWIFE-SNAWJCMRSA-N 1 0 245.366 3.630 20 0 BHADRO CCC(CC)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510222364 528802577 /nfs/dbraw/zinc/80/25/77/528802577.db2.gz LXFGZHRIKBLYFM-AATRIKPKSA-N 1 0 239.309 3.756 20 0 BHADRO CCC(CC)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510222366 528802792 /nfs/dbraw/zinc/80/27/92/528802792.db2.gz LXFGZHRIKBLYFM-WAYWQWQTSA-N 1 0 239.309 3.756 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000510241407 528285768 /nfs/dbraw/zinc/28/57/68/528285768.db2.gz MCPOROWZGXXWKK-DZGCQCFKSA-N 1 0 247.382 3.878 20 0 BHADRO CCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000510241408 528318151 /nfs/dbraw/zinc/31/81/51/528318151.db2.gz MCPOROWZGXXWKK-HIFRSBDPSA-N 1 0 247.382 3.878 20 0 BHADRO CCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510241409 528318153 /nfs/dbraw/zinc/31/81/53/528318153.db2.gz MCPOROWZGXXWKK-UKRRQHHQSA-N 1 0 247.382 3.878 20 0 BHADRO CCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000510241410 528286238 /nfs/dbraw/zinc/28/62/38/528286238.db2.gz MCPOROWZGXXWKK-ZFWWWQNUSA-N 1 0 247.382 3.878 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCc1ccccc1 ZINC000510248384 528538534 /nfs/dbraw/zinc/53/85/34/528538534.db2.gz DBWMIBKYWLPPOF-UHFFFAOYSA-N 1 0 219.372 3.740 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C2CCCC2)cc1F ZINC000510259152 229296513 /nfs/dbraw/zinc/29/65/13/229296513.db2.gz QBZGYEWAOMEICX-ARJAWSKDSA-N 1 0 237.293 3.510 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C2CCCC2)cc1F ZINC000510259154 534461119 /nfs/dbraw/zinc/46/11/19/534461119.db2.gz QBZGYEWAOMEICX-ONEGZZNKSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510355536 534055271 /nfs/dbraw/zinc/05/52/71/534055271.db2.gz OJWKMTXRGODUAC-ABAIWWIYSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510355538 534055241 /nfs/dbraw/zinc/05/52/41/534055241.db2.gz OJWKMTXRGODUAC-IAQYHMDHSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510355539 229297628 /nfs/dbraw/zinc/29/76/28/229297628.db2.gz OJWKMTXRGODUAC-NHYWBVRUSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510355540 229297565 /nfs/dbraw/zinc/29/75/65/229297565.db2.gz OJWKMTXRGODUAC-XHDPSFHLSA-N 1 0 233.330 3.545 20 0 BHADRO CC(C)COc1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000510387208 528151375 /nfs/dbraw/zinc/15/13/75/528151375.db2.gz VFYHIZAAGLGQOC-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO C[N@@H+](Cc1c(Cl)oc2ccccc21)CC1CC1 ZINC000510390827 529973977 /nfs/dbraw/zinc/97/39/77/529973977.db2.gz FBNLXOPENNIKJP-UHFFFAOYSA-N 1 0 249.741 3.928 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000510406308 533722024 /nfs/dbraw/zinc/72/20/24/533722024.db2.gz CGPOVIIRRAWFFN-ABAIWWIYSA-N 1 0 233.330 3.687 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000510406309 533722250 /nfs/dbraw/zinc/72/22/50/533722250.db2.gz CGPOVIIRRAWFFN-IAQYHMDHSA-N 1 0 233.330 3.687 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000510406310 229299330 /nfs/dbraw/zinc/29/93/30/229299330.db2.gz CGPOVIIRRAWFFN-NHYWBVRUSA-N 1 0 233.330 3.687 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000510406311 229299573 /nfs/dbraw/zinc/29/95/73/229299573.db2.gz CGPOVIIRRAWFFN-XHDPSFHLSA-N 1 0 233.330 3.687 20 0 BHADRO Cn1cccc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000510410984 229298829 /nfs/dbraw/zinc/29/88/29/229298829.db2.gz IQUSMGQMJBNBOR-UHFFFAOYSA-N 1 0 246.398 3.570 20 0 BHADRO C[N@@H+](Cc1cc(Cl)ccc1Cl)CC1CC1 ZINC000510415768 529977312 /nfs/dbraw/zinc/97/73/12/529977312.db2.gz UWOSZRUFYDXCOE-UHFFFAOYSA-N 1 0 244.165 3.835 20 0 BHADRO C[N@@H+](Cc1ccc(C(C)(C)C)s1)CC1CC1 ZINC000510421136 529984063 /nfs/dbraw/zinc/98/40/63/529984063.db2.gz JMCJDADNQHNQMK-UHFFFAOYSA-N 1 0 237.412 3.887 20 0 BHADRO CCCCOc1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000510422468 528671753 /nfs/dbraw/zinc/67/17/53/528671753.db2.gz VXBARNDBMCVHMB-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1cc2cc(C[N@H+](C)CC3CC3)oc2cc1C ZINC000510422920 534086292 /nfs/dbraw/zinc/08/62/92/534086292.db2.gz YKHYDCFKCZNLRZ-UHFFFAOYSA-N 1 0 243.350 3.891 20 0 BHADRO C[N@@H+](Cc1ccc(-c2ccccc2)o1)CC1CC1 ZINC000510446503 529982512 /nfs/dbraw/zinc/98/25/12/529982512.db2.gz UMILLSBDSYXCOS-UHFFFAOYSA-N 1 0 241.334 3.788 20 0 BHADRO C[N@H+](C/C=C\c1ccc(Cl)cc1)CC1CC1 ZINC000510453590 529820644 /nfs/dbraw/zinc/82/06/44/529820644.db2.gz FNIGXXKKQULOSJ-IHWYPQMZSA-N 1 0 235.758 3.695 20 0 BHADRO C[N@H+](C/C=C/c1ccc(Cl)cc1)CC1CC1 ZINC000510453591 529819909 /nfs/dbraw/zinc/81/99/09/529819909.db2.gz FNIGXXKKQULOSJ-NSCUHMNNSA-N 1 0 235.758 3.695 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)C[C@H]1CC=CCC1 ZINC000510455608 529933413 /nfs/dbraw/zinc/93/34/13/529933413.db2.gz CHMHPDMRSLQVMC-HNNXBMFYSA-N 1 0 247.357 3.656 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CC=CCC1 ZINC000510455610 529933238 /nfs/dbraw/zinc/93/32/38/529933238.db2.gz CHMHPDMRSLQVMC-OAHLLOKOSA-N 1 0 247.357 3.656 20 0 BHADRO CC[C@@H](C[N@H+](C)CC1CC1)c1ccccc1 ZINC000510456779 529471224 /nfs/dbraw/zinc/47/12/24/529471224.db2.gz OCVJELMCPAYXSX-AWEZNQCLSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C[N@H+](C)CC1CC1)c1ccccc1 ZINC000510456786 529333052 /nfs/dbraw/zinc/33/30/52/529333052.db2.gz OCVJELMCPAYXSX-CQSZACIVSA-N 1 0 217.356 3.522 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000510470405 528937887 /nfs/dbraw/zinc/93/78/87/528937887.db2.gz WAQZZIFLRYCLMK-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCCC(C)(C)C1 ZINC000510470771 534469890 /nfs/dbraw/zinc/46/98/90/534469890.db2.gz DKZPOQNLZOLUPO-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000510475101 528938110 /nfs/dbraw/zinc/93/81/10/528938110.db2.gz UYLRFQMESBXFSQ-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000510485425 528937408 /nfs/dbraw/zinc/93/74/08/528937408.db2.gz LPEDCZSBDVENOI-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000510495854 529862158 /nfs/dbraw/zinc/86/21/58/529862158.db2.gz KLNCVBVETGUUHZ-HNNXBMFYSA-N 1 0 233.330 3.545 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510495855 529862361 /nfs/dbraw/zinc/86/23/61/529862361.db2.gz KLNCVBVETGUUHZ-OAHLLOKOSA-N 1 0 233.330 3.545 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000510523784 528938198 /nfs/dbraw/zinc/93/81/98/528938198.db2.gz MZZLTJAHFVMPFZ-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[NH+](CC)[C@H]1CCCc2ccc(F)cc21 ZINC000510531088 528282480 /nfs/dbraw/zinc/28/24/80/528282480.db2.gz LZILEZFHQCOSQB-AWEZNQCLSA-N 1 0 221.319 3.545 20 0 BHADRO CC[NH+](CC)[C@@H]1CCCc2ccc(F)cc21 ZINC000510531089 528248022 /nfs/dbraw/zinc/24/80/22/528248022.db2.gz LZILEZFHQCOSQB-CQSZACIVSA-N 1 0 221.319 3.545 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000510534495 528938595 /nfs/dbraw/zinc/93/85/95/528938595.db2.gz QJCITXNIVZYNNS-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000510565737 527864752 /nfs/dbraw/zinc/86/47/52/527864752.db2.gz SIQJGQIQLQAWID-AWEZNQCLSA-N 1 0 221.319 3.545 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000510565738 527863326 /nfs/dbraw/zinc/86/33/26/527863326.db2.gz SIQJGQIQLQAWID-CQSZACIVSA-N 1 0 221.319 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCCCC1)CCC2 ZINC000510572047 534502953 /nfs/dbraw/zinc/50/29/53/534502953.db2.gz SRKIRZSVWVYWSZ-HNNXBMFYSA-N 1 0 233.330 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1CCCCC1)CCC2 ZINC000510572048 534502343 /nfs/dbraw/zinc/50/23/43/534502343.db2.gz SRKIRZSVWVYWSZ-OAHLLOKOSA-N 1 0 233.330 3.689 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CCCCF)c1cccc(C)c1 ZINC000510596111 529462059 /nfs/dbraw/zinc/46/20/59/529462059.db2.gz JAZCKCXRUKDFBE-GDBMZVCRSA-N 1 0 249.373 3.960 20 0 BHADRO CC[C@H]1C[C@]1([NH2+]CCCCF)c1cccc(C)c1 ZINC000510596123 529329397 /nfs/dbraw/zinc/32/93/97/529329397.db2.gz JAZCKCXRUKDFBE-GOEBONIOSA-N 1 0 249.373 3.960 20 0 BHADRO CC[C@H]1C[C@@]1([NH2+]CCCCF)c1cccc(C)c1 ZINC000510596124 529321585 /nfs/dbraw/zinc/32/15/85/529321585.db2.gz JAZCKCXRUKDFBE-HOCLYGCPSA-N 1 0 249.373 3.960 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CCCCF)c1cccc(C)c1 ZINC000510596125 529431628 /nfs/dbraw/zinc/43/16/28/529431628.db2.gz JAZCKCXRUKDFBE-ZBFHGGJFSA-N 1 0 249.373 3.960 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CC[C@@H](C)F)c1cccc(C)c1 ZINC000510601289 529431397 /nfs/dbraw/zinc/43/13/97/529431397.db2.gz UPIGTGDVPNSGSS-FMKPAKJESA-N 1 0 249.373 3.958 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CC[C@@H](C)F)c1cccc(C)c1 ZINC000510601290 529462140 /nfs/dbraw/zinc/46/21/40/529462140.db2.gz UPIGTGDVPNSGSS-IIAWOOMASA-N 1 0 249.373 3.958 20 0 BHADRO CC[C@@H]1C[C@@]1([NH2+]CC[C@H](C)F)c1cccc(C)c1 ZINC000510601291 529431651 /nfs/dbraw/zinc/43/16/51/529431651.db2.gz UPIGTGDVPNSGSS-LZWOXQAQSA-N 1 0 249.373 3.958 20 0 BHADRO CC[C@@H]1C[C@]1([NH2+]CC[C@H](C)F)c1cccc(C)c1 ZINC000510601292 529462186 /nfs/dbraw/zinc/46/21/86/529462186.db2.gz UPIGTGDVPNSGSS-SQWLQELKSA-N 1 0 249.373 3.958 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)(C)C)ccc1F ZINC000510619358 229303632 /nfs/dbraw/zinc/30/36/32/229303632.db2.gz NZIROPPCZVXFSV-UHFFFAOYSA-N 1 0 223.335 3.612 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCCCF ZINC000510620111 533590347 /nfs/dbraw/zinc/59/03/47/533590347.db2.gz QRISQXPUERNDSO-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)CCCCF ZINC000510620121 533388136 /nfs/dbraw/zinc/38/81/36/533388136.db2.gz QRISQXPUERNDSO-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000510620243 534275370 /nfs/dbraw/zinc/27/53/70/534275370.db2.gz ZNBZHRGRXYPTCE-NEPJUHHUSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@H](C1CCCCC1)[N@@H+](C)CC[C@H](C)F ZINC000510620244 533589937 /nfs/dbraw/zinc/58/99/37/533589937.db2.gz ZNBZHRGRXYPTCE-NWDGAFQWSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000510620245 229301500 /nfs/dbraw/zinc/30/15/00/229301500.db2.gz ZNBZHRGRXYPTCE-RYUDHWBXSA-N 1 0 215.356 3.635 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000510620246 534275883 /nfs/dbraw/zinc/27/58/83/534275883.db2.gz ZNBZHRGRXYPTCE-VXGBXAGGSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000510620426 528137958 /nfs/dbraw/zinc/13/79/58/528137958.db2.gz UNHJDWYBHNEYJF-KBPBESRZSA-N 1 0 247.382 3.592 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000510620427 528137557 /nfs/dbraw/zinc/13/75/57/528137557.db2.gz UNHJDWYBHNEYJF-KGLIPLIRSA-N 1 0 247.382 3.592 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000510620428 528128264 /nfs/dbraw/zinc/12/82/64/528128264.db2.gz UNHJDWYBHNEYJF-UONOGXRCSA-N 1 0 247.382 3.592 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000510620429 528128740 /nfs/dbraw/zinc/12/87/40/528128740.db2.gz UNHJDWYBHNEYJF-ZIAGYGMSSA-N 1 0 247.382 3.592 20 0 BHADRO CCC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000510620563 527870173 /nfs/dbraw/zinc/87/01/73/527870173.db2.gz WTOPVZLCQAATKW-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO COc1ccccc1/C=C/C[N@H+](C)CC(C)(C)C ZINC000510625010 533947194 /nfs/dbraw/zinc/94/71/94/533947194.db2.gz PBJFWNSQGFXHNQ-CSKARUKUSA-N 1 0 247.382 3.686 20 0 BHADRO COc1ccccc1/C=C\C[N@H+](C)CC(C)(C)C ZINC000510625011 533957166 /nfs/dbraw/zinc/95/71/66/533957166.db2.gz PBJFWNSQGFXHNQ-NTMALXAHSA-N 1 0 247.382 3.686 20 0 BHADRO C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC(C)(C)C ZINC000510625723 529973144 /nfs/dbraw/zinc/97/31/44/529973144.db2.gz YKBQDYUNTVHNQJ-CABCVRRESA-N 1 0 231.383 3.768 20 0 BHADRO C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC(C)(C)C ZINC000510625724 529973150 /nfs/dbraw/zinc/97/31/50/529973150.db2.gz YKBQDYUNTVHNQJ-HUUCEWRRSA-N 1 0 231.383 3.768 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC(C)(C)C ZINC000510625725 529957966 /nfs/dbraw/zinc/95/79/66/529957966.db2.gz YKBQDYUNTVHNQJ-LSDHHAIUSA-N 1 0 231.383 3.768 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)C ZINC000510626840 529820025 /nfs/dbraw/zinc/82/00/25/529820025.db2.gz ABCXSDUHLIOWGA-AATRIKPKSA-N 1 0 235.346 3.817 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)C ZINC000510626841 529820483 /nfs/dbraw/zinc/82/04/83/529820483.db2.gz ABCXSDUHLIOWGA-WAYWQWQTSA-N 1 0 235.346 3.817 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)CC(C)(C)C ZINC000510627576 533877040 /nfs/dbraw/zinc/87/70/40/533877040.db2.gz DJHBEGSRUDAPJV-UHFFFAOYSA-N 1 0 223.335 3.612 20 0 BHADRO C[N@H+](Cc1cc(F)c(F)c(F)c1)CC(C)(C)C ZINC000510627878 529978831 /nfs/dbraw/zinc/97/88/31/529978831.db2.gz FNNBNAQPDMLYBR-UHFFFAOYSA-N 1 0 245.288 3.582 20 0 BHADRO C[N@H+](Cc1cccc2cc[nH]c21)CC(C)(C)C ZINC000510634238 529996337 /nfs/dbraw/zinc/99/63/37/529996337.db2.gz PXYWFKWMBYONLR-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO C[N@H+](Cc1cc(F)c(F)cc1F)CC(C)(C)C ZINC000510642347 529979229 /nfs/dbraw/zinc/97/92/29/529979229.db2.gz ASEUKLGOFNNELO-UHFFFAOYSA-N 1 0 245.288 3.582 20 0 BHADRO Cc1ccc(C[N@@H+](C)CC(C)(C)C)cc1F ZINC000510643726 533873621 /nfs/dbraw/zinc/87/36/21/533873621.db2.gz HKLLZUYDSTYOKQ-UHFFFAOYSA-N 1 0 223.335 3.612 20 0 BHADRO CCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000510651390 527870070 /nfs/dbraw/zinc/87/00/70/527870070.db2.gz SDQAABMEXLGANA-UHFFFAOYSA-N 1 0 227.735 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510653378 229303080 /nfs/dbraw/zinc/30/30/80/229303080.db2.gz RUQQEZRBUKNCQL-APHBMKBZSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510653379 533526823 /nfs/dbraw/zinc/52/68/23/533526823.db2.gz RUQQEZRBUKNCQL-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510653380 229303814 /nfs/dbraw/zinc/30/38/14/229303814.db2.gz RUQQEZRBUKNCQL-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510653381 534012183 /nfs/dbraw/zinc/01/21/83/534012183.db2.gz RUQQEZRBUKNCQL-MAZHCROVSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510653382 534013232 /nfs/dbraw/zinc/01/32/32/534013232.db2.gz RUQQEZRBUKNCQL-RCBQFDQVSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510653383 533527001 /nfs/dbraw/zinc/52/70/01/533527001.db2.gz RUQQEZRBUKNCQL-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510653384 229302837 /nfs/dbraw/zinc/30/28/37/229302837.db2.gz RUQQEZRBUKNCQL-VBNZEHGJSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510653385 229303777 /nfs/dbraw/zinc/30/37/77/229303777.db2.gz RUQQEZRBUKNCQL-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000510654898 229303130 /nfs/dbraw/zinc/30/31/30/229303130.db2.gz CWXYHKIRGFQUNM-CABCVRRESA-N 1 0 235.346 3.695 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000510654899 534431881 /nfs/dbraw/zinc/43/18/81/534431881.db2.gz CWXYHKIRGFQUNM-GJZGRUSLSA-N 1 0 235.346 3.695 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000510654900 229302815 /nfs/dbraw/zinc/30/28/15/229302815.db2.gz CWXYHKIRGFQUNM-HUUCEWRRSA-N 1 0 235.346 3.695 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000510654901 229302974 /nfs/dbraw/zinc/30/29/74/229302974.db2.gz CWXYHKIRGFQUNM-LSDHHAIUSA-N 1 0 235.346 3.695 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000510656331 229303733 /nfs/dbraw/zinc/30/37/33/229303733.db2.gz LDVCTFRINYSOMB-CVEARBPZSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000510656332 534431783 /nfs/dbraw/zinc/43/17/83/534431783.db2.gz LDVCTFRINYSOMB-HOTGVXAUSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000510656334 229302651 /nfs/dbraw/zinc/30/26/51/229302651.db2.gz LDVCTFRINYSOMB-HZPDHXFCSA-N 1 0 249.373 3.737 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000510656336 534431393 /nfs/dbraw/zinc/43/13/93/534431393.db2.gz LDVCTFRINYSOMB-JKSUJKDBSA-N 1 0 249.373 3.737 20 0 BHADRO CC(C)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000510657902 527921702 /nfs/dbraw/zinc/92/17/02/527921702.db2.gz MRYRAMDYKDKGQT-INIZCTEOSA-N 1 0 229.367 3.794 20 0 BHADRO CC(C)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000510657903 527922145 /nfs/dbraw/zinc/92/21/45/527922145.db2.gz MRYRAMDYKDKGQT-MRXNPFEDSA-N 1 0 229.367 3.794 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510660532 229302916 /nfs/dbraw/zinc/30/29/16/229302916.db2.gz CXRCNDCZHUZYQP-IKGGRYGDSA-N 1 0 241.378 3.842 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510665903 527470508 /nfs/dbraw/zinc/47/05/08/527470508.db2.gz OCVZTNSEYFABAV-BGHPOGFGSA-N 1 0 241.378 3.868 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510665904 527470406 /nfs/dbraw/zinc/47/04/06/527470406.db2.gz OCVZTNSEYFABAV-LVXHKSIOSA-N 1 0 241.378 3.868 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510665905 527466807 /nfs/dbraw/zinc/46/68/07/527466807.db2.gz OCVZTNSEYFABAV-QBUOGWAXSA-N 1 0 241.378 3.868 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510665906 527467196 /nfs/dbraw/zinc/46/71/96/527467196.db2.gz OCVZTNSEYFABAV-QQQVMXRDSA-N 1 0 241.378 3.868 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510666808 534090174 /nfs/dbraw/zinc/09/01/74/534090174.db2.gz FTDSSBLHYQSTEX-CVEARBPZSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510666815 534090278 /nfs/dbraw/zinc/09/02/78/534090278.db2.gz FTDSSBLHYQSTEX-HOTGVXAUSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510666816 229303650 /nfs/dbraw/zinc/30/36/50/229303650.db2.gz FTDSSBLHYQSTEX-HZPDHXFCSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510666817 229303307 /nfs/dbraw/zinc/30/33/07/229303307.db2.gz FTDSSBLHYQSTEX-JKSUJKDBSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510671877 229303535 /nfs/dbraw/zinc/30/35/35/229303535.db2.gz QZTUYTBSZXDCHB-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510671884 534123190 /nfs/dbraw/zinc/12/31/90/534123190.db2.gz QZTUYTBSZXDCHB-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510671886 534122539 /nfs/dbraw/zinc/12/25/39/534122539.db2.gz QZTUYTBSZXDCHB-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510671887 229302790 /nfs/dbraw/zinc/30/27/90/229302790.db2.gz QZTUYTBSZXDCHB-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO Fc1cccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510673388 229302911 /nfs/dbraw/zinc/30/29/11/229302911.db2.gz BEVNLPUILCAEDX-CVEARBPZSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510673389 229303712 /nfs/dbraw/zinc/30/37/12/229303712.db2.gz BEVNLPUILCAEDX-HOTGVXAUSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510673390 229302908 /nfs/dbraw/zinc/30/29/08/229302908.db2.gz BEVNLPUILCAEDX-HZPDHXFCSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510673391 385979768 /nfs/dbraw/zinc/97/97/68/385979768.db2.gz BEVNLPUILCAEDX-JKSUJKDBSA-N 1 0 247.357 3.537 20 0 BHADRO CCOc1cccc(C[N@H+](C)CC(C)(C)C)c1 ZINC000510673649 528642021 /nfs/dbraw/zinc/64/20/21/528642021.db2.gz DHJXVZNLHBPOQA-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000510673698 229303716 /nfs/dbraw/zinc/30/37/16/229303716.db2.gz DYHHGEXBNKOLSA-UHFFFAOYSA-N 1 0 223.335 3.612 20 0 BHADRO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1(C2CC2)CCC1 ZINC000510674153 527493095 /nfs/dbraw/zinc/49/30/95/527493095.db2.gz GIVPKVCXCVAWKT-CABCVRRESA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@H]1CC[C@H]1C1CCC1)C1(C2CC2)CCC1 ZINC000510674154 527491826 /nfs/dbraw/zinc/49/18/26/527491826.db2.gz GIVPKVCXCVAWKT-GJZGRUSLSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1(C2CC2)CCC1 ZINC000510674155 527490493 /nfs/dbraw/zinc/49/04/93/527490493.db2.gz GIVPKVCXCVAWKT-HUUCEWRRSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@@H]1CC[C@H]1C1CCC1)C1(C2CC2)CCC1 ZINC000510674156 527491368 /nfs/dbraw/zinc/49/13/68/527491368.db2.gz GIVPKVCXCVAWKT-LSDHHAIUSA-N 1 0 233.399 3.735 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510676714 229303791 /nfs/dbraw/zinc/30/37/91/229303791.db2.gz VVGDCEJICYFDBZ-KBPBESRZSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510676718 229302668 /nfs/dbraw/zinc/30/26/68/229302668.db2.gz VVGDCEJICYFDBZ-KGLIPLIRSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510676719 229303340 /nfs/dbraw/zinc/30/33/40/229303340.db2.gz VVGDCEJICYFDBZ-UONOGXRCSA-N 1 0 249.423 3.767 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510676720 229302932 /nfs/dbraw/zinc/30/29/32/229302932.db2.gz VVGDCEJICYFDBZ-ZIAGYGMSSA-N 1 0 249.423 3.767 20 0 BHADRO CCC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000510680036 527869043 /nfs/dbraw/zinc/86/90/43/527869043.db2.gz IYJGWJNIPVLWSC-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H]2CC[C@H]2C2CCC2)c1 ZINC000510680331 229303600 /nfs/dbraw/zinc/30/36/00/229303600.db2.gz IAOQSZLOWQXHRY-KBPBESRZSA-N 1 0 230.355 3.689 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510680336 229303372 /nfs/dbraw/zinc/30/33/72/229303372.db2.gz IAOQSZLOWQXHRY-KGLIPLIRSA-N 1 0 230.355 3.689 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510680338 534141920 /nfs/dbraw/zinc/14/19/20/534141920.db2.gz IAOQSZLOWQXHRY-UONOGXRCSA-N 1 0 230.355 3.689 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510680340 534140946 /nfs/dbraw/zinc/14/09/46/534140946.db2.gz IAOQSZLOWQXHRY-ZIAGYGMSSA-N 1 0 230.355 3.689 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510681103 229302672 /nfs/dbraw/zinc/30/26/72/229302672.db2.gz AMUAWMRVZGKTGR-BYCMXARLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510681106 229302969 /nfs/dbraw/zinc/30/29/69/229302969.db2.gz AMUAWMRVZGKTGR-DFBGVHRSSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510681107 229303393 /nfs/dbraw/zinc/30/33/93/229303393.db2.gz AMUAWMRVZGKTGR-KCPJHIHWSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510681110 229302885 /nfs/dbraw/zinc/30/28/85/229302885.db2.gz AMUAWMRVZGKTGR-UGFHNGPFSA-N 1 0 249.423 3.847 20 0 BHADRO CCC1CC[NH+](Cc2sccc2C)CC1 ZINC000510684212 527869240 /nfs/dbraw/zinc/86/92/40/527869240.db2.gz RYCHCQFFGQNVGF-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000510689047 534431077 /nfs/dbraw/zinc/43/10/77/534431077.db2.gz UTIZFQMVMAAKSS-GXTWGEPZSA-N 1 0 239.378 3.685 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000510689049 534432314 /nfs/dbraw/zinc/43/23/14/534432314.db2.gz UTIZFQMVMAAKSS-JSGCOSHPSA-N 1 0 239.378 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000510689051 229304753 /nfs/dbraw/zinc/30/47/53/229304753.db2.gz UTIZFQMVMAAKSS-OCCSQVGLSA-N 1 0 239.378 3.685 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000510689053 229304956 /nfs/dbraw/zinc/30/49/56/229304956.db2.gz UTIZFQMVMAAKSS-TZMCWYRMSA-N 1 0 239.378 3.685 20 0 BHADRO C[N@H+](Cc1coc2ccccc12)CC(C)(C)C ZINC000510692291 530019025 /nfs/dbraw/zinc/01/90/25/530019025.db2.gz AXMQRQKFGDWWCF-UHFFFAOYSA-N 1 0 231.339 3.911 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)CC(C)(C)C ZINC000510693828 529981021 /nfs/dbraw/zinc/98/10/21/529981021.db2.gz TUDSUHMNRYDSPX-UHFFFAOYSA-N 1 0 231.339 3.911 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1F ZINC000510702915 229304803 /nfs/dbraw/zinc/30/48/03/229304803.db2.gz NDUARKZXRKOXLD-GDBMZVCRSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1F ZINC000510702916 229304467 /nfs/dbraw/zinc/30/44/67/229304467.db2.gz NDUARKZXRKOXLD-GOEBONIOSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1F ZINC000510702917 534090764 /nfs/dbraw/zinc/09/07/64/534090764.db2.gz NDUARKZXRKOXLD-HOCLYGCPSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1F ZINC000510702918 534091092 /nfs/dbraw/zinc/09/10/92/534091092.db2.gz NDUARKZXRKOXLD-ZBFHGGJFSA-N 1 0 247.357 3.802 20 0 BHADRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000510703091 229304545 /nfs/dbraw/zinc/30/45/45/229304545.db2.gz UQMOUDADANFUGP-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C(C)(C)C ZINC000510703093 533399585 /nfs/dbraw/zinc/39/95/85/533399585.db2.gz UQMOUDADANFUGP-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000510703095 229304414 /nfs/dbraw/zinc/30/44/14/229304414.db2.gz UQMOUDADANFUGP-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C(C)(C)C ZINC000510703096 229304275 /nfs/dbraw/zinc/30/42/75/229304275.db2.gz UQMOUDADANFUGP-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)ccc1F ZINC000510706065 533723309 /nfs/dbraw/zinc/72/33/09/533723309.db2.gz RQDGLSPOSRHERF-GDBMZVCRSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)ccc1F ZINC000510706066 533722829 /nfs/dbraw/zinc/72/28/29/533722829.db2.gz RQDGLSPOSRHERF-GOEBONIOSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)ccc1F ZINC000510706067 533737804 /nfs/dbraw/zinc/73/78/04/533737804.db2.gz RQDGLSPOSRHERF-HOCLYGCPSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)ccc1F ZINC000510706068 533736648 /nfs/dbraw/zinc/73/66/48/533736648.db2.gz RQDGLSPOSRHERF-ZBFHGGJFSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510712338 534695393 /nfs/dbraw/zinc/69/53/93/534695393.db2.gz HWBOLDMAHPNDDX-DLBZAZTESA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510712342 534696575 /nfs/dbraw/zinc/69/65/75/534696575.db2.gz HWBOLDMAHPNDDX-IAGOWNOFSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510712344 534695778 /nfs/dbraw/zinc/69/57/78/534695778.db2.gz HWBOLDMAHPNDDX-IRXDYDNUSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510712346 534695942 /nfs/dbraw/zinc/69/59/42/534695942.db2.gz HWBOLDMAHPNDDX-SJORKVTESA-N 1 0 243.394 3.706 20 0 BHADRO Fc1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510713095 229304712 /nfs/dbraw/zinc/30/47/12/229304712.db2.gz AJUALHRBPVDSDJ-GDBMZVCRSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510713097 229304626 /nfs/dbraw/zinc/30/46/26/229304626.db2.gz AJUALHRBPVDSDJ-GOEBONIOSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510713100 229304341 /nfs/dbraw/zinc/30/43/41/229304341.db2.gz AJUALHRBPVDSDJ-HOCLYGCPSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510713101 229304475 /nfs/dbraw/zinc/30/44/75/229304475.db2.gz AJUALHRBPVDSDJ-ZBFHGGJFSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510713726 229304607 /nfs/dbraw/zinc/30/46/07/229304607.db2.gz BPDCVONIKJIPOX-DLBZAZTESA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510713727 229304663 /nfs/dbraw/zinc/30/46/63/229304663.db2.gz BPDCVONIKJIPOX-IAGOWNOFSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510713728 229304595 /nfs/dbraw/zinc/30/45/95/229304595.db2.gz BPDCVONIKJIPOX-IRXDYDNUSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510713729 229304799 /nfs/dbraw/zinc/30/47/99/229304799.db2.gz BPDCVONIKJIPOX-SJORKVTESA-N 1 0 243.394 3.706 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510715048 229304636 /nfs/dbraw/zinc/30/46/36/229304636.db2.gz MJVOFWBYXSTCDG-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510715053 229304885 /nfs/dbraw/zinc/30/48/85/229304885.db2.gz MJVOFWBYXSTCDG-RWMBFGLXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510715056 229304191 /nfs/dbraw/zinc/30/41/91/229304191.db2.gz MJVOFWBYXSTCDG-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510715058 229304203 /nfs/dbraw/zinc/30/42/03/229304203.db2.gz MJVOFWBYXSTCDG-YNEHKIRRSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510715860 534000485 /nfs/dbraw/zinc/00/04/85/534000485.db2.gz FXNJRIDNQAOPAL-DAXOMENPSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510715861 534001207 /nfs/dbraw/zinc/00/12/07/534001207.db2.gz FXNJRIDNQAOPAL-KCXAZCMYSA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510715866 534001189 /nfs/dbraw/zinc/00/11/89/534001189.db2.gz FXNJRIDNQAOPAL-UHOFOFEASA-N 1 0 247.382 3.769 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510715867 534001516 /nfs/dbraw/zinc/00/15/16/534001516.db2.gz FXNJRIDNQAOPAL-WQVCFCJDSA-N 1 0 247.382 3.769 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510716660 533805743 /nfs/dbraw/zinc/80/57/43/533805743.db2.gz PXVLXNAWXMNTHC-DLBZAZTESA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510716661 533805822 /nfs/dbraw/zinc/80/58/22/533805822.db2.gz PXVLXNAWXMNTHC-IAGOWNOFSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510716663 533808703 /nfs/dbraw/zinc/80/87/03/533808703.db2.gz PXVLXNAWXMNTHC-IRXDYDNUSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510716665 533808396 /nfs/dbraw/zinc/80/83/96/533808396.db2.gz PXVLXNAWXMNTHC-SJORKVTESA-N 1 0 243.394 3.706 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000510719278 527615476 /nfs/dbraw/zinc/61/54/76/527615476.db2.gz URTGTFKXIHBBDP-KBPBESRZSA-N 1 0 241.394 3.931 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000510719280 527615911 /nfs/dbraw/zinc/61/59/11/527615911.db2.gz URTGTFKXIHBBDP-KGLIPLIRSA-N 1 0 241.394 3.931 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000510719281 527615762 /nfs/dbraw/zinc/61/57/62/527615762.db2.gz URTGTFKXIHBBDP-UONOGXRCSA-N 1 0 241.394 3.931 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000510719283 527614976 /nfs/dbraw/zinc/61/49/76/527614976.db2.gz URTGTFKXIHBBDP-ZIAGYGMSSA-N 1 0 241.394 3.931 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510723596 229304319 /nfs/dbraw/zinc/30/43/19/229304319.db2.gz SKLNBCIKKMJTKN-CVEARBPZSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510723597 229304270 /nfs/dbraw/zinc/30/42/70/229304270.db2.gz SKLNBCIKKMJTKN-HOTGVXAUSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510723598 229304761 /nfs/dbraw/zinc/30/47/61/229304761.db2.gz SKLNBCIKKMJTKN-HZPDHXFCSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510723599 229304902 /nfs/dbraw/zinc/30/49/02/229304902.db2.gz SKLNBCIKKMJTKN-JKSUJKDBSA-N 1 0 229.367 3.663 20 0 BHADRO Fc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510724066 229304362 /nfs/dbraw/zinc/30/43/62/229304362.db2.gz VTENTYLNHKGGLP-CVEARBPZSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510724068 323104791 /nfs/dbraw/zinc/10/47/91/323104791.db2.gz VTENTYLNHKGGLP-HOTGVXAUSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510724076 323104813 /nfs/dbraw/zinc/10/48/13/323104813.db2.gz VTENTYLNHKGGLP-HZPDHXFCSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510724081 323104729 /nfs/dbraw/zinc/10/47/29/323104729.db2.gz VTENTYLNHKGGLP-JKSUJKDBSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510724720 534716487 /nfs/dbraw/zinc/71/64/87/534716487.db2.gz ZJHAZDFXAPYZKS-CVEARBPZSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510724721 534717419 /nfs/dbraw/zinc/71/74/19/534717419.db2.gz ZJHAZDFXAPYZKS-HOTGVXAUSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510724722 229304582 /nfs/dbraw/zinc/30/45/82/229304582.db2.gz ZJHAZDFXAPYZKS-HZPDHXFCSA-N 1 0 229.367 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510724723 229304682 /nfs/dbraw/zinc/30/46/82/229304682.db2.gz ZJHAZDFXAPYZKS-JKSUJKDBSA-N 1 0 229.367 3.663 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510730892 534485091 /nfs/dbraw/zinc/48/50/91/534485091.db2.gz DMONGPLTZGEJKU-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510730893 534485582 /nfs/dbraw/zinc/48/55/82/534485582.db2.gz DMONGPLTZGEJKU-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510730894 534487210 /nfs/dbraw/zinc/48/72/10/534487210.db2.gz DMONGPLTZGEJKU-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510730895 534485063 /nfs/dbraw/zinc/48/50/63/534485063.db2.gz DMONGPLTZGEJKU-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO CC(C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510734102 528067357 /nfs/dbraw/zinc/06/73/57/528067357.db2.gz JLEDCZXGSWMXAH-LLVKDONJSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510734167 528067808 /nfs/dbraw/zinc/06/78/08/528067808.db2.gz JLEDCZXGSWMXAH-NSHDSACASA-N 1 0 241.325 3.532 20 0 BHADRO CCCC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510738589 528556408 /nfs/dbraw/zinc/55/64/08/528556408.db2.gz RIVYZDAJLQFYGZ-LLVKDONJSA-N 1 0 241.325 3.676 20 0 BHADRO CCCC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510738590 528555034 /nfs/dbraw/zinc/55/50/34/528555034.db2.gz RIVYZDAJLQFYGZ-NSHDSACASA-N 1 0 241.325 3.676 20 0 BHADRO CC(C)c1cccc2c1CC[N@H+](CCCCF)C2 ZINC000510745211 528189354 /nfs/dbraw/zinc/18/93/54/528189354.db2.gz JPWQDDOMLPENKY-UHFFFAOYSA-N 1 0 249.373 3.918 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+](C)CCCCF ZINC000510745738 527505213 /nfs/dbraw/zinc/50/52/13/527505213.db2.gz DPDAQTBWNWOBGC-OWBHPGMISA-N 1 0 235.346 3.771 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+](C)CCCCF ZINC000510745739 527532571 /nfs/dbraw/zinc/53/25/71/527532571.db2.gz DPDAQTBWNWOBGC-WYMLVPIESA-N 1 0 235.346 3.771 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](CC[C@@H](C)F)C2)c(C)c1 ZINC000510746279 229305807 /nfs/dbraw/zinc/30/58/07/229305807.db2.gz AGZAFWCBSZZRPH-CABCVRRESA-N 1 0 249.373 3.841 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](CC[C@H](C)F)C2)c(C)c1 ZINC000510746280 229306234 /nfs/dbraw/zinc/30/62/34/229306234.db2.gz AGZAFWCBSZZRPH-GJZGRUSLSA-N 1 0 249.373 3.841 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)c(C)c1 ZINC000510746281 229305616 /nfs/dbraw/zinc/30/56/16/229305616.db2.gz AGZAFWCBSZZRPH-HUUCEWRRSA-N 1 0 249.373 3.841 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](CC[C@H](C)F)C2)c(C)c1 ZINC000510746282 229305737 /nfs/dbraw/zinc/30/57/37/229305737.db2.gz AGZAFWCBSZZRPH-LSDHHAIUSA-N 1 0 249.373 3.841 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000510746789 229305953 /nfs/dbraw/zinc/30/59/53/229305953.db2.gz MQPYPCAODVYWNC-GHMZBOCLSA-N 1 0 235.302 3.832 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc2ccccc2o1 ZINC000510746798 229306290 /nfs/dbraw/zinc/30/62/90/229306290.db2.gz MQPYPCAODVYWNC-WDEREUQCSA-N 1 0 235.302 3.832 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000510747414 534431439 /nfs/dbraw/zinc/43/14/39/534431439.db2.gz BPJBCTWOGIKWRJ-ILXRZTDVSA-N 1 0 239.378 3.851 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000510747421 534432358 /nfs/dbraw/zinc/43/23/58/534432358.db2.gz BPJBCTWOGIKWRJ-KKUMJFAQSA-N 1 0 239.378 3.851 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000510747422 229305824 /nfs/dbraw/zinc/30/58/24/229305824.db2.gz BPJBCTWOGIKWRJ-QLFBSQMISA-N 1 0 239.378 3.851 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000510747423 229305800 /nfs/dbraw/zinc/30/58/00/229305800.db2.gz BPJBCTWOGIKWRJ-SOUVJXGZSA-N 1 0 239.378 3.851 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)CC[C@H](C)F ZINC000510748806 527532481 /nfs/dbraw/zinc/53/24/81/527532481.db2.gz KAXHUHHYHCQNQV-CMPYXILNSA-N 1 0 235.346 3.770 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)CC[C@H](C)F ZINC000510748807 527505502 /nfs/dbraw/zinc/50/55/02/527505502.db2.gz KAXHUHHYHCQNQV-FZDNWWAKSA-N 1 0 235.346 3.770 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)CC[C@@H](C)F ZINC000510748808 527505276 /nfs/dbraw/zinc/50/52/76/527505276.db2.gz KAXHUHHYHCQNQV-YBEMTRGBSA-N 1 0 235.346 3.770 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)CC[C@@H](C)F ZINC000510748809 527532545 /nfs/dbraw/zinc/53/25/45/527532545.db2.gz KAXHUHHYHCQNQV-YPDDLIOESA-N 1 0 235.346 3.770 20 0 BHADRO CC(C)c1cccc2c1CC[N@@H+](CC[C@@H](C)F)C2 ZINC000510752708 528188677 /nfs/dbraw/zinc/18/86/77/528188677.db2.gz XZFMTTKYQHYPEB-CYBMUJFWSA-N 1 0 249.373 3.916 20 0 BHADRO CC(C)c1cccc2c1CC[N@@H+](CC[C@H](C)F)C2 ZINC000510752709 528189190 /nfs/dbraw/zinc/18/91/90/528189190.db2.gz XZFMTTKYQHYPEB-ZDUSSCGKSA-N 1 0 249.373 3.916 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CCCCF)C2)c(C)c1 ZINC000510753785 229305817 /nfs/dbraw/zinc/30/58/17/229305817.db2.gz QYDNSKUUZRCHAW-HNNXBMFYSA-N 1 0 249.373 3.842 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CCCCF)C2)c(C)c1 ZINC000510753786 229306160 /nfs/dbraw/zinc/30/61/60/229306160.db2.gz QYDNSKUUZRCHAW-OAHLLOKOSA-N 1 0 249.373 3.842 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510756369 529375559 /nfs/dbraw/zinc/37/55/59/529375559.db2.gz VMMVGFGBYNEUDY-GHMZBOCLSA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510756370 529374837 /nfs/dbraw/zinc/37/48/37/529374837.db2.gz VMMVGFGBYNEUDY-MNOVXSKESA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510756371 529181669 /nfs/dbraw/zinc/18/16/69/529181669.db2.gz VMMVGFGBYNEUDY-QWRGUYRKSA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510756372 529182557 /nfs/dbraw/zinc/18/25/57/529182557.db2.gz VMMVGFGBYNEUDY-WDEREUQCSA-N 1 0 241.325 3.674 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510757461 534481309 /nfs/dbraw/zinc/48/13/09/534481309.db2.gz XMRGIEKQSKJAJK-CVEARBPZSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510757462 534482572 /nfs/dbraw/zinc/48/25/72/534482572.db2.gz XMRGIEKQSKJAJK-HOTGVXAUSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510757463 534480918 /nfs/dbraw/zinc/48/09/18/534480918.db2.gz XMRGIEKQSKJAJK-HZPDHXFCSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510757464 534480951 /nfs/dbraw/zinc/48/09/51/534480951.db2.gz XMRGIEKQSKJAJK-JKSUJKDBSA-N 1 0 241.378 3.844 20 0 BHADRO CC[N@H+](CCCCF)[C@@H]1CCCC[C@H]1C ZINC000510760194 528432818 /nfs/dbraw/zinc/43/28/18/528432818.db2.gz CAPPXZCTRHCJSR-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CC[N@H+](CCCCF)[C@H]1CCCC[C@H]1C ZINC000510760198 528432625 /nfs/dbraw/zinc/43/26/25/528432625.db2.gz CAPPXZCTRHCJSR-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CC[N@H+](CCCCF)[C@@H]1CCCC[C@@H]1C ZINC000510760199 528432661 /nfs/dbraw/zinc/43/26/61/528432661.db2.gz CAPPXZCTRHCJSR-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CC[N@H+](CCCCF)[C@H]1CCCC[C@@H]1C ZINC000510760200 528432389 /nfs/dbraw/zinc/43/23/89/528432389.db2.gz CAPPXZCTRHCJSR-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCCF)C2)cc1 ZINC000510760996 229306091 /nfs/dbraw/zinc/30/60/91/229306091.db2.gz DRKVUIMSROPOJP-GDBMZVCRSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCCF)C2)cc1 ZINC000510760997 229305779 /nfs/dbraw/zinc/30/57/79/229305779.db2.gz DRKVUIMSROPOJP-GOEBONIOSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCCF)C2)cc1 ZINC000510760998 229306271 /nfs/dbraw/zinc/30/62/71/229306271.db2.gz DRKVUIMSROPOJP-HOCLYGCPSA-N 1 0 249.373 3.923 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCCF)C2)cc1 ZINC000510760999 229305491 /nfs/dbraw/zinc/30/54/91/229305491.db2.gz DRKVUIMSROPOJP-ZBFHGGJFSA-N 1 0 249.373 3.923 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000510764834 229306116 /nfs/dbraw/zinc/30/61/16/229306116.db2.gz MQPYPCAODVYWNC-MNOVXSKESA-N 1 0 235.302 3.832 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000510764835 229306352 /nfs/dbraw/zinc/30/63/52/229306352.db2.gz MQPYPCAODVYWNC-QWRGUYRKSA-N 1 0 235.302 3.832 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@@H](C)F)C2)cc1 ZINC000510765681 229305135 /nfs/dbraw/zinc/30/51/35/229305135.db2.gz OLPHNOLMSAKBDO-IIAWOOMASA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@@H](C)F)C2)cc1 ZINC000510765682 229305174 /nfs/dbraw/zinc/30/51/74/229305174.db2.gz OLPHNOLMSAKBDO-IJEWVQPXSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@H](C)F)C2)cc1 ZINC000510765683 229306330 /nfs/dbraw/zinc/30/63/30/229306330.db2.gz OLPHNOLMSAKBDO-OFQRWUPVSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@H](C)F)C2)cc1 ZINC000510765684 229306192 /nfs/dbraw/zinc/30/61/92/229306192.db2.gz OLPHNOLMSAKBDO-SQWLQELKSA-N 1 0 249.373 3.921 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@H]1CCCC[C@H]1C ZINC000510767519 528585359 /nfs/dbraw/zinc/58/53/59/528585359.db2.gz WHOSVBLDNDGPHJ-AGIUHOORSA-N 1 0 215.356 3.635 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@H]1CCCC[C@@H]1C ZINC000510767521 528584678 /nfs/dbraw/zinc/58/46/78/528584678.db2.gz WHOSVBLDNDGPHJ-AVGNSLFASA-N 1 0 215.356 3.635 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@@H]1CCCC[C@H]1C ZINC000510767523 528584507 /nfs/dbraw/zinc/58/45/07/528584507.db2.gz WHOSVBLDNDGPHJ-FRRDWIJNSA-N 1 0 215.356 3.635 20 0 BHADRO CC[N@H+](CC[C@H](C)F)[C@@H]1CCCC[C@@H]1C ZINC000510767525 528585648 /nfs/dbraw/zinc/58/56/48/528585648.db2.gz WHOSVBLDNDGPHJ-RWMBFGLXSA-N 1 0 215.356 3.635 20 0 BHADRO CC(C)C1CCC([N@H+](C)CCCCF)CC1 ZINC000510776263 527640442 /nfs/dbraw/zinc/64/04/42/527640442.db2.gz HNRZIUFBABQDQY-UHFFFAOYSA-N 1 0 229.383 3.883 20 0 BHADRO COCCCC[N@H+](C)C1CCC(C(C)C)CC1 ZINC000510778473 533251935 /nfs/dbraw/zinc/25/19/35/533251935.db2.gz NMAPICVGJBHVNR-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)CCCCF ZINC000510779781 229307076 /nfs/dbraw/zinc/30/70/76/229307076.db2.gz LBPOLXRRAFYVBY-AWEZNQCLSA-N 1 0 237.362 3.608 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCCCF ZINC000510779782 229307601 /nfs/dbraw/zinc/30/76/01/229307601.db2.gz LBPOLXRRAFYVBY-CQSZACIVSA-N 1 0 237.362 3.608 20 0 BHADRO FCCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000510782283 229306589 /nfs/dbraw/zinc/30/65/89/229306589.db2.gz VWBVJSXZTRNISY-CVEARBPZSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000510782285 229307008 /nfs/dbraw/zinc/30/70/08/229307008.db2.gz VWBVJSXZTRNISY-HOTGVXAUSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000510782286 229307673 /nfs/dbraw/zinc/30/76/73/229307673.db2.gz VWBVJSXZTRNISY-HZPDHXFCSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000510782287 229307485 /nfs/dbraw/zinc/30/74/85/229307485.db2.gz VWBVJSXZTRNISY-JKSUJKDBSA-N 1 0 249.373 3.737 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H](C)F ZINC000510782836 529288538 /nfs/dbraw/zinc/28/85/38/529288538.db2.gz WXOWKLRULBUSIQ-JHJVBQTASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H](C)F ZINC000510782838 529280569 /nfs/dbraw/zinc/28/05/69/529280569.db2.gz WXOWKLRULBUSIQ-UPJWGTAASA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H](C)F ZINC000510782839 529280764 /nfs/dbraw/zinc/28/07/64/529280764.db2.gz WXOWKLRULBUSIQ-XQQFMLRXSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H](C)F ZINC000510782840 529288355 /nfs/dbraw/zinc/28/83/55/529288355.db2.gz WXOWKLRULBUSIQ-YNEHKIRRSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCCF ZINC000510784075 529288417 /nfs/dbraw/zinc/28/84/17/529288417.db2.gz ZSCDMHLCEHIQTF-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCF ZINC000510784076 529280255 /nfs/dbraw/zinc/28/02/55/529280255.db2.gz ZSCDMHLCEHIQTF-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCCF ZINC000510784077 529210260 /nfs/dbraw/zinc/21/02/60/529210260.db2.gz ZSCDMHLCEHIQTF-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCCF ZINC000510784078 529205982 /nfs/dbraw/zinc/20/59/82/529205982.db2.gz ZSCDMHLCEHIQTF-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@@H+](C)CC[C@H](C)F ZINC000510785253 229307583 /nfs/dbraw/zinc/30/75/83/229307583.db2.gz ZROKHYNKVHABFW-KBPBESRZSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@@H+](C)CC[C@@H](C)F ZINC000510785255 229307542 /nfs/dbraw/zinc/30/75/42/229307542.db2.gz ZROKHYNKVHABFW-KGLIPLIRSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC[C@H](C)F ZINC000510785257 229306367 /nfs/dbraw/zinc/30/63/67/229306367.db2.gz ZROKHYNKVHABFW-UONOGXRCSA-N 1 0 237.362 3.606 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC[C@@H](C)F ZINC000510785258 229305474 /nfs/dbraw/zinc/30/54/74/229305474.db2.gz ZROKHYNKVHABFW-ZIAGYGMSSA-N 1 0 237.362 3.606 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000510792678 229307347 /nfs/dbraw/zinc/30/73/47/229307347.db2.gz TYCYSPZOIIIGQB-AEGPPILISA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000510792680 229306867 /nfs/dbraw/zinc/30/68/67/229306867.db2.gz TYCYSPZOIIIGQB-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000510813772 529665484 /nfs/dbraw/zinc/66/54/84/529665484.db2.gz RAFJNBYUOFUYNR-DOMZBBRYSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000510813773 529205241 /nfs/dbraw/zinc/20/52/41/529205241.db2.gz RAFJNBYUOFUYNR-IUODEOHRSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000510813774 529199664 /nfs/dbraw/zinc/19/96/64/529199664.db2.gz RAFJNBYUOFUYNR-SWLSCSKDSA-N 1 0 249.398 3.738 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(C)(C)C ZINC000510813775 529650110 /nfs/dbraw/zinc/65/01/10/529650110.db2.gz RAFJNBYUOFUYNR-WFASDCNBSA-N 1 0 249.398 3.738 20 0 BHADRO Cc1ccc([C@@]2(C)CC[N@H+](CCCCF)C2)cc1 ZINC000510813788 229307233 /nfs/dbraw/zinc/30/72/33/229307233.db2.gz RFXNHTRROFGUKY-INIZCTEOSA-N 1 0 249.373 3.708 20 0 BHADRO Cc1ccc([C@]2(C)CC[N@H+](CCCCF)C2)cc1 ZINC000510813789 229306871 /nfs/dbraw/zinc/30/68/71/229306871.db2.gz RFXNHTRROFGUKY-MRXNPFEDSA-N 1 0 249.373 3.708 20 0 BHADRO Cc1ccc([C@]2(C)CC[N@@H+](CC[C@@H](C)F)C2)cc1 ZINC000510814365 229307137 /nfs/dbraw/zinc/30/71/37/229307137.db2.gz SKLRCDBKEQZKIL-GDBMZVCRSA-N 1 0 249.373 3.707 20 0 BHADRO Cc1ccc([C@]2(C)CC[N@@H+](CC[C@H](C)F)C2)cc1 ZINC000510814366 229306698 /nfs/dbraw/zinc/30/66/98/229306698.db2.gz SKLRCDBKEQZKIL-GOEBONIOSA-N 1 0 249.373 3.707 20 0 BHADRO Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@H](C)F)C2)cc1 ZINC000510814367 229306681 /nfs/dbraw/zinc/30/66/81/229306681.db2.gz SKLRCDBKEQZKIL-HOCLYGCPSA-N 1 0 249.373 3.707 20 0 BHADRO Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@@H](C)F)C2)cc1 ZINC000510814368 229307774 /nfs/dbraw/zinc/30/77/74/229307774.db2.gz SKLRCDBKEQZKIL-ZBFHGGJFSA-N 1 0 249.373 3.707 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000510929196 528867892 /nfs/dbraw/zinc/86/78/92/528867892.db2.gz CNWDIXVTEGGWDV-NEPJUHHUSA-N 1 0 249.345 3.564 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCOC(F)F ZINC000510929198 529005191 /nfs/dbraw/zinc/00/51/91/529005191.db2.gz CNWDIXVTEGGWDV-NWDGAFQWSA-N 1 0 249.345 3.564 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000510929199 529002903 /nfs/dbraw/zinc/00/29/03/529002903.db2.gz CNWDIXVTEGGWDV-RYUDHWBXSA-N 1 0 249.345 3.564 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCOC(F)F ZINC000510929200 528874308 /nfs/dbraw/zinc/87/43/08/528874308.db2.gz CNWDIXVTEGGWDV-VXGBXAGGSA-N 1 0 249.345 3.564 20 0 BHADRO COCC[C@H]([NH2+]C1CCCCCC1)C(C)(C)C ZINC000510929583 229309023 /nfs/dbraw/zinc/30/90/23/229309023.db2.gz MQSWNQUFMPCHDA-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO COCC[C@@H]([NH2+]C1CCCCCC1)C(C)(C)C ZINC000510929585 229308425 /nfs/dbraw/zinc/30/84/25/229308425.db2.gz MQSWNQUFMPCHDA-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510929952 229308974 /nfs/dbraw/zinc/30/89/74/229308974.db2.gz PUNZXLPVFBKGPM-BARDWOONSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510929954 229308634 /nfs/dbraw/zinc/30/86/34/229308634.db2.gz PUNZXLPVFBKGPM-KBUPBQIOSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510929956 229308609 /nfs/dbraw/zinc/30/86/09/229308609.db2.gz PUNZXLPVFBKGPM-LXTVHRRPSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510929957 229308370 /nfs/dbraw/zinc/30/83/70/229308370.db2.gz PUNZXLPVFBKGPM-TUVASFSCSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]([NH2+]CCCOC(F)F)C1CCCCCC1 ZINC000510932949 533385340 /nfs/dbraw/zinc/38/53/40/533385340.db2.gz YFTYJJMVEVRFAH-LLVKDONJSA-N 1 0 249.345 3.564 20 0 BHADRO C[C@H]([NH2+]CCCOC(F)F)C1CCCCCC1 ZINC000510932950 229308713 /nfs/dbraw/zinc/30/87/13/229308713.db2.gz YFTYJJMVEVRFAH-NSHDSACASA-N 1 0 249.345 3.564 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1ccncc1F ZINC000510937553 528000336 /nfs/dbraw/zinc/00/03/36/528000336.db2.gz YXTDMSJMNFBZIB-LLVKDONJSA-N 1 0 238.350 3.840 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1ccncc1F ZINC000510937554 528000296 /nfs/dbraw/zinc/00/02/96/528000296.db2.gz YXTDMSJMNFBZIB-NSHDSACASA-N 1 0 238.350 3.840 20 0 BHADRO COCC[C@@H]([NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000510945152 229308707 /nfs/dbraw/zinc/30/87/07/229308707.db2.gz LSOMTAOOIKRSMU-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000510945153 533311853 /nfs/dbraw/zinc/31/18/53/533311853.db2.gz LSOMTAOOIKRSMU-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000510945156 533313640 /nfs/dbraw/zinc/31/36/40/533313640.db2.gz LSOMTAOOIKRSMU-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]([NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000510945158 229309006 /nfs/dbraw/zinc/30/90/06/229309006.db2.gz LSOMTAOOIKRSMU-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000510945505 229309032 /nfs/dbraw/zinc/30/90/32/229309032.db2.gz RROYUHATAZPNFI-BFHYXJOUSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000510945507 534431832 /nfs/dbraw/zinc/43/18/32/534431832.db2.gz RROYUHATAZPNFI-IHRRRGAJSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000510945508 534431453 /nfs/dbraw/zinc/43/14/53/534431453.db2.gz RROYUHATAZPNFI-MELADBBJSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000510945509 229309671 /nfs/dbraw/zinc/30/96/71/229309671.db2.gz RROYUHATAZPNFI-MJBXVCDLSA-N 1 0 239.378 3.827 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000510946040 712473206 /nfs/dbraw/zinc/47/32/06/712473206.db2.gz DUTQVKPALMRQAG-DZGCQCFKSA-N 1 0 247.382 3.549 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000510946041 712473190 /nfs/dbraw/zinc/47/31/90/712473190.db2.gz DUTQVKPALMRQAG-HIFRSBDPSA-N 1 0 247.382 3.549 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000510946042 712473453 /nfs/dbraw/zinc/47/34/53/712473453.db2.gz DUTQVKPALMRQAG-UKRRQHHQSA-N 1 0 247.382 3.549 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000510946043 712473268 /nfs/dbraw/zinc/47/32/68/712473268.db2.gz DUTQVKPALMRQAG-ZFWWWQNUSA-N 1 0 247.382 3.549 20 0 BHADRO COCC[C@@H]([NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000510949170 229309797 /nfs/dbraw/zinc/30/97/97/229309797.db2.gz VSMBBRCVCOIWAP-JXQTWKCFSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000510949171 229310378 /nfs/dbraw/zinc/31/03/78/229310378.db2.gz VSMBBRCVCOIWAP-RUXDESIVSA-N 1 0 241.419 3.606 20 0 BHADRO C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC23CCCC3)C1 ZINC000510950925 526419430 /nfs/dbraw/zinc/41/94/30/526419430.db2.gz OBTIBPNVCBKYHM-KKUMJFAQSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000510950929 526419074 /nfs/dbraw/zinc/41/90/74/526419074.db2.gz OBTIBPNVCBKYHM-RRFJBIMHSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000510950930 526419713 /nfs/dbraw/zinc/41/97/13/526419713.db2.gz OBTIBPNVCBKYHM-SOUVJXGZSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CCC23CCCC3)C1 ZINC000510950932 526420138 /nfs/dbraw/zinc/42/01/38/526420138.db2.gz OBTIBPNVCBKYHM-ZNMIVQPWSA-N 1 0 233.399 3.878 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510961167 534243211 /nfs/dbraw/zinc/24/32/11/534243211.db2.gz VEPGMKUDNIKFHW-BARDWOONSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510961168 534242860 /nfs/dbraw/zinc/24/28/60/534242860.db2.gz VEPGMKUDNIKFHW-CBBWQLFWSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510961169 229309783 /nfs/dbraw/zinc/30/97/83/229309783.db2.gz VEPGMKUDNIKFHW-LXTVHRRPSA-N 1 0 241.394 3.931 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510961170 534243234 /nfs/dbraw/zinc/24/32/34/534243234.db2.gz VEPGMKUDNIKFHW-QPSCCSFWSA-N 1 0 241.394 3.931 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000510983699 527428014 /nfs/dbraw/zinc/42/80/14/527428014.db2.gz MFMSXOIRFYXGQU-UHFFFAOYSA-N 1 0 233.330 3.756 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510985399 529317001 /nfs/dbraw/zinc/31/70/01/529317001.db2.gz LYSOCTXNACHJFD-GRYCIOLGSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510985400 529316997 /nfs/dbraw/zinc/31/69/97/529316997.db2.gz LYSOCTXNACHJFD-IJLUTSLNSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510985402 529317135 /nfs/dbraw/zinc/31/71/35/529317135.db2.gz LYSOCTXNACHJFD-UTUOFQBUSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510985404 529317212 /nfs/dbraw/zinc/31/72/12/529317212.db2.gz LYSOCTXNACHJFD-WOPDTQHZSA-N 1 0 249.320 3.886 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510991991 534424525 /nfs/dbraw/zinc/42/45/25/534424525.db2.gz LCNWXVXYVNOTIA-CYZMBNFOSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510991992 534423951 /nfs/dbraw/zinc/42/39/51/534423951.db2.gz LCNWXVXYVNOTIA-DRZSPHRISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510991993 534423806 /nfs/dbraw/zinc/42/38/06/534423806.db2.gz LCNWXVXYVNOTIA-UHTWSYAYSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510991994 534423532 /nfs/dbraw/zinc/42/35/32/534423532.db2.gz LCNWXVXYVNOTIA-WCFLWFBJSA-N 1 0 243.341 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000510994602 528915119 /nfs/dbraw/zinc/91/51/19/528915119.db2.gz PTYXSPHNOAUGDT-NEPJUHHUSA-N 1 0 238.350 3.840 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000510994605 528783028 /nfs/dbraw/zinc/78/30/28/528783028.db2.gz PTYXSPHNOAUGDT-NWDGAFQWSA-N 1 0 238.350 3.840 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000510994607 528915143 /nfs/dbraw/zinc/91/51/43/528915143.db2.gz PTYXSPHNOAUGDT-RYUDHWBXSA-N 1 0 238.350 3.840 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000510994609 528782880 /nfs/dbraw/zinc/78/28/80/528782880.db2.gz PTYXSPHNOAUGDT-VXGBXAGGSA-N 1 0 238.350 3.840 20 0 BHADRO COCC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000510996932 229310923 /nfs/dbraw/zinc/31/09/23/229310923.db2.gz HTHDLXYENTUFKY-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000510996933 533313882 /nfs/dbraw/zinc/31/38/82/533313882.db2.gz HTHDLXYENTUFKY-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000510996934 229311565 /nfs/dbraw/zinc/31/15/65/229311565.db2.gz HTHDLXYENTUFKY-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000510996935 533313838 /nfs/dbraw/zinc/31/38/38/533313838.db2.gz HTHDLXYENTUFKY-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000511013201 533314891 /nfs/dbraw/zinc/31/48/91/533314891.db2.gz HULWSAQPEMXYKG-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000511013202 533314791 /nfs/dbraw/zinc/31/47/91/533314791.db2.gz HULWSAQPEMXYKG-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000511013204 533314196 /nfs/dbraw/zinc/31/41/96/533314196.db2.gz HULWSAQPEMXYKG-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(C)(C)C ZINC000511013206 533314016 /nfs/dbraw/zinc/31/40/16/533314016.db2.gz HULWSAQPEMXYKG-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000511017390 533313977 /nfs/dbraw/zinc/31/39/77/533313977.db2.gz OCLLDPDLHMDDJR-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000511017391 533313779 /nfs/dbraw/zinc/31/37/79/533313779.db2.gz OCLLDPDLHMDDJR-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000511017392 533314415 /nfs/dbraw/zinc/31/44/15/533314415.db2.gz OCLLDPDLHMDDJR-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000511017393 533314459 /nfs/dbraw/zinc/31/44/59/533314459.db2.gz OCLLDPDLHMDDJR-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000511044016 528924235 /nfs/dbraw/zinc/92/42/35/528924235.db2.gz BOTBZSAGKUVDAE-CABCVRRESA-N 1 0 247.382 3.549 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000511044017 528107085 /nfs/dbraw/zinc/10/70/85/528107085.db2.gz BOTBZSAGKUVDAE-GJZGRUSLSA-N 1 0 247.382 3.549 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000511044018 528924666 /nfs/dbraw/zinc/92/46/66/528924666.db2.gz BOTBZSAGKUVDAE-HUUCEWRRSA-N 1 0 247.382 3.549 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000511044019 528106469 /nfs/dbraw/zinc/10/64/69/528106469.db2.gz BOTBZSAGKUVDAE-LSDHHAIUSA-N 1 0 247.382 3.549 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCCOC(F)F ZINC000511052425 229312425 /nfs/dbraw/zinc/31/24/25/229312425.db2.gz YNGRUBHGPGQMQW-LLVKDONJSA-N 1 0 249.345 3.564 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCCOC(F)F ZINC000511052426 229311903 /nfs/dbraw/zinc/31/19/03/229311903.db2.gz YNGRUBHGPGQMQW-NSHDSACASA-N 1 0 249.345 3.564 20 0 BHADRO COCC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000511054773 229311959 /nfs/dbraw/zinc/31/19/59/229311959.db2.gz QJFOQALKZJAJOV-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000511054774 533312901 /nfs/dbraw/zinc/31/29/01/533312901.db2.gz QJFOQALKZJAJOV-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H]([NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000511054775 533314852 /nfs/dbraw/zinc/31/48/52/533314852.db2.gz QJFOQALKZJAJOV-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@@H]([NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000511054776 229312300 /nfs/dbraw/zinc/31/23/00/229312300.db2.gz QJFOQALKZJAJOV-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO CCCCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511061238 528184415 /nfs/dbraw/zinc/18/44/15/528184415.db2.gz XORXZHAGACBYDQ-UHFFFAOYSA-N 1 0 219.328 3.559 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511061242 527663198 /nfs/dbraw/zinc/66/31/98/527663198.db2.gz XPZNTMQXJDUPSP-UHFFFAOYSA-N 1 0 233.355 3.805 20 0 BHADRO CSc1ccccc1C[N@H+](C)C1CCCC1 ZINC000511101748 533038142 /nfs/dbraw/zinc/03/81/42/533038142.db2.gz OPNDWVXDCMROMA-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO CSc1ccccc1C[N@H+](C)CC(C)(C)C ZINC000511102379 533039277 /nfs/dbraw/zinc/03/92/77/533039277.db2.gz SIRJFAXTOCPRGT-UHFFFAOYSA-N 1 0 237.412 3.886 20 0 BHADRO Clc1ccccc1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000511105373 534652303 /nfs/dbraw/zinc/65/23/03/534652303.db2.gz IZTLMYIVJFFCID-AWEZNQCLSA-N 1 0 249.785 3.757 20 0 BHADRO CSc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000511105458 533041600 /nfs/dbraw/zinc/04/16/00/533041600.db2.gz AOLXUMKHQBGHKX-NEPJUHHUSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000511105459 533042189 /nfs/dbraw/zinc/04/21/89/533042189.db2.gz AOLXUMKHQBGHKX-NWDGAFQWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000511105460 533042231 /nfs/dbraw/zinc/04/22/31/533042231.db2.gz AOLXUMKHQBGHKX-RYUDHWBXSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000511105461 533041763 /nfs/dbraw/zinc/04/17/63/533041763.db2.gz AOLXUMKHQBGHKX-VXGBXAGGSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[NH+]1CCCCCC1 ZINC000511105493 229313566 /nfs/dbraw/zinc/31/35/66/229313566.db2.gz AVYXNZMNCNXKMR-UHFFFAOYSA-N 1 0 235.396 3.785 20 0 BHADRO Clc1ccccc1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000511105530 534651497 /nfs/dbraw/zinc/65/14/97/534651497.db2.gz IZTLMYIVJFFCID-CQSZACIVSA-N 1 0 249.785 3.757 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1SC ZINC000511129295 528359258 /nfs/dbraw/zinc/35/92/58/528359258.db2.gz GUGXXTCFBXATGS-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000511136144 533041150 /nfs/dbraw/zinc/04/11/50/533041150.db2.gz SDEKCOKWFYRNLR-BETUJISGSA-N 1 0 247.407 3.640 20 0 BHADRO CSc1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000511136145 533040994 /nfs/dbraw/zinc/04/09/94/533040994.db2.gz SDEKCOKWFYRNLR-CHWSQXEVSA-N 1 0 247.407 3.640 20 0 BHADRO CSc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000511136146 533040945 /nfs/dbraw/zinc/04/09/45/533040945.db2.gz SDEKCOKWFYRNLR-STQMWFEESA-N 1 0 247.407 3.640 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@H](C)C(C)C ZINC000511155143 533039967 /nfs/dbraw/zinc/03/99/67/533039967.db2.gz LNQPWQSEUSMORP-GFCCVEGCSA-N 1 0 237.412 3.885 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000511155146 533040630 /nfs/dbraw/zinc/04/06/30/533040630.db2.gz LNQPWQSEUSMORP-LBPRGKRZSA-N 1 0 237.412 3.885 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000511159559 529327041 /nfs/dbraw/zinc/32/70/41/529327041.db2.gz HLWNGWRRWIEYAT-GFCCVEGCSA-N 1 0 235.396 3.640 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000511159560 529238686 /nfs/dbraw/zinc/23/86/86/529238686.db2.gz HLWNGWRRWIEYAT-LBPRGKRZSA-N 1 0 235.396 3.640 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCSC1)[C@@H](C)c1ccccc1 ZINC000511377343 229316758 /nfs/dbraw/zinc/31/67/58/229316758.db2.gz JVFVEFYFPZBBAI-IPYPFGDCSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000511377344 229316442 /nfs/dbraw/zinc/31/64/42/229316442.db2.gz JVFVEFYFPZBBAI-YDHLFZDLSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000511477673 529220663 /nfs/dbraw/zinc/22/06/63/529220663.db2.gz CCHJKLQSXZRMDA-AJHXJQRKSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000511477674 529220720 /nfs/dbraw/zinc/22/07/20/529220720.db2.gz CCHJKLQSXZRMDA-PPYMECGQSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000511477675 529301578 /nfs/dbraw/zinc/30/15/78/529301578.db2.gz CCHJKLQSXZRMDA-RZIFZGNASA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000511477676 529301525 /nfs/dbraw/zinc/30/15/25/529301525.db2.gz CCHJKLQSXZRMDA-WUKHSURWSA-N 1 0 245.366 3.583 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000511481220 529301910 /nfs/dbraw/zinc/30/19/10/529301910.db2.gz XFDVPMHQZXCVCE-CYBMUJFWSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000511481227 529220709 /nfs/dbraw/zinc/22/07/09/529220709.db2.gz XFDVPMHQZXCVCE-ZDUSSCGKSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000511482148 529301600 /nfs/dbraw/zinc/30/16/00/529301600.db2.gz OFOCSJPHIPCFKR-ARFHVFGLSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000511482149 529301574 /nfs/dbraw/zinc/30/15/74/529301574.db2.gz OFOCSJPHIPCFKR-BZUAXINKSA-N 1 0 229.367 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000511482150 529301634 /nfs/dbraw/zinc/30/16/34/529301634.db2.gz OFOCSJPHIPCFKR-OAGGEKHMSA-N 1 0 229.367 3.665 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccoc1 ZINC000511483676 527532802 /nfs/dbraw/zinc/53/28/02/527532802.db2.gz USVOICXVOTWDEN-GXDHUFHOSA-N 1 0 241.334 3.815 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccoc1 ZINC000511483677 527505627 /nfs/dbraw/zinc/50/56/27/527505627.db2.gz USVOICXVOTWDEN-UVTDQMKNSA-N 1 0 241.334 3.815 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000511490325 529220749 /nfs/dbraw/zinc/22/07/49/529220749.db2.gz BRTBXGHILWNIPH-AWEZNQCLSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000511490326 529302006 /nfs/dbraw/zinc/30/20/06/529302006.db2.gz BRTBXGHILWNIPH-CQSZACIVSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000511491974 229319076 /nfs/dbraw/zinc/31/90/76/229319076.db2.gz CJMNUXWBOIXRFX-AWEZNQCLSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000511491975 229319938 /nfs/dbraw/zinc/31/99/38/229319938.db2.gz CJMNUXWBOIXRFX-CQSZACIVSA-N 1 0 233.355 3.743 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000511492965 529220666 /nfs/dbraw/zinc/22/06/66/529220666.db2.gz KTJSTXWVVUTVRY-GRNBYLDVSA-N 1 0 229.367 3.964 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000511492967 529220164 /nfs/dbraw/zinc/22/01/64/529220164.db2.gz KTJSTXWVVUTVRY-HECSCLNYSA-N 1 0 229.367 3.964 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000511492968 529301259 /nfs/dbraw/zinc/30/12/59/529301259.db2.gz KTJSTXWVVUTVRY-OBEJXRGXSA-N 1 0 229.367 3.964 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000511492970 529301449 /nfs/dbraw/zinc/30/14/49/529301449.db2.gz KTJSTXWVVUTVRY-WCRPCQDQSA-N 1 0 229.367 3.964 20 0 BHADRO C[N@H+](CCc1ccccc1F)C[C@H]1CC=CCC1 ZINC000511496129 529934600 /nfs/dbraw/zinc/93/46/00/529934600.db2.gz PGSQYPDWKXBBJJ-AWEZNQCLSA-N 1 0 247.357 3.656 20 0 BHADRO C[N@H+](CCc1ccccc1F)C[C@@H]1CC=CCC1 ZINC000511496130 529934813 /nfs/dbraw/zinc/93/48/13/529934813.db2.gz PGSQYPDWKXBBJJ-CQSZACIVSA-N 1 0 247.357 3.656 20 0 BHADRO CC[C@@H](C[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000511502147 529471974 /nfs/dbraw/zinc/47/19/74/529471974.db2.gz AZBGIULYQKPYCT-HNNXBMFYSA-N 1 0 243.350 3.905 20 0 BHADRO CC[C@H](C[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000511502148 529332692 /nfs/dbraw/zinc/33/26/92/529332692.db2.gz AZBGIULYQKPYCT-OAHLLOKOSA-N 1 0 243.350 3.905 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000511505649 529220386 /nfs/dbraw/zinc/22/03/86/529220386.db2.gz NZPJFUXLMFJROH-QTLSWZBMSA-N 1 0 233.330 3.713 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000511505650 529301326 /nfs/dbraw/zinc/30/13/26/529301326.db2.gz NZPJFUXLMFJROH-SJDLMVEWSA-N 1 0 233.330 3.713 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000511505651 529220711 /nfs/dbraw/zinc/22/07/11/529220711.db2.gz NZPJFUXLMFJROH-UJAVWCLSSA-N 1 0 233.330 3.713 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000511505652 529301639 /nfs/dbraw/zinc/30/16/39/529301639.db2.gz NZPJFUXLMFJROH-UYWPIULCSA-N 1 0 233.330 3.713 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)cs1 ZINC000511508429 229319323 /nfs/dbraw/zinc/31/93/23/229319323.db2.gz XIXDUCDXTCCIFK-AWEZNQCLSA-N 1 0 235.396 3.903 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cs1 ZINC000511508430 229319545 /nfs/dbraw/zinc/31/95/45/229319545.db2.gz XIXDUCDXTCCIFK-CQSZACIVSA-N 1 0 235.396 3.903 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1F ZINC000511510433 529302102 /nfs/dbraw/zinc/30/21/02/529302102.db2.gz VAVGKLBTLONYHJ-CYBMUJFWSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1F ZINC000511510434 529220288 /nfs/dbraw/zinc/22/02/88/529220288.db2.gz VAVGKLBTLONYHJ-ZDUSSCGKSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC000511521216 529301834 /nfs/dbraw/zinc/30/18/34/529301834.db2.gz HGXTXGHBZHKYSZ-CYBMUJFWSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC000511521218 529220485 /nfs/dbraw/zinc/22/04/85/529220485.db2.gz HGXTXGHBZHKYSZ-ZDUSSCGKSA-N 1 0 221.319 3.509 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000511526062 529301748 /nfs/dbraw/zinc/30/17/48/529301748.db2.gz YPWCOBBOJSWGTK-CYBMUJFWSA-N 1 0 229.323 3.807 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000511526063 529220534 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237.293 3.534 20 0 BHADRO c1ccc([C@@H]2C[N@@H+](CC3CC3)[C@H]3CCC[C@H]23)cc1 ZINC000511844030 229326183 /nfs/dbraw/zinc/32/61/83/229326183.db2.gz LANSLYBBHHKPND-IKGGRYGDSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[N@@H+](CC3CC3)[C@@H]3CCC[C@H]23)cc1 ZINC000511844031 229326121 /nfs/dbraw/zinc/32/61/21/229326121.db2.gz LANSLYBBHHKPND-IXDOHACOSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[N@@H+](CC3CC3)[C@H]3CCC[C@@H]23)cc1 ZINC000511844033 386284885 /nfs/dbraw/zinc/28/48/85/386284885.db2.gz LANSLYBBHHKPND-ULQDDVLXSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[N@@H+](CC3CC3)[C@@H]3CCC[C@@H]23)cc1 ZINC000511844034 386284944 /nfs/dbraw/zinc/28/49/44/386284944.db2.gz LANSLYBBHHKPND-YESZJQIVSA-N 1 0 241.378 3.665 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511845335 528326817 /nfs/dbraw/zinc/32/68/17/528326817.db2.gz PQSDADFTCZBHGB-ARFHVFGLSA-N 1 0 229.367 3.665 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511845337 528326127 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AJXXDDUDTRZVRS-YWJKWWDISA-N 1 0 241.378 3.964 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000511856982 527467085 /nfs/dbraw/zinc/46/70/85/527467085.db2.gz AJXXDDUDTRZVRS-ZTXDWSKGSA-N 1 0 241.378 3.964 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)s1 ZINC000511859413 533926283 /nfs/dbraw/zinc/92/62/83/533926283.db2.gz NDDBUMZANMJJTA-GXTWGEPZSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000511859414 533928057 /nfs/dbraw/zinc/92/80/57/533928057.db2.gz NDDBUMZANMJJTA-JSGCOSHPSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)s1 ZINC000511859415 533930825 /nfs/dbraw/zinc/93/08/25/533930825.db2.gz NDDBUMZANMJJTA-OCCSQVGLSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)s1 ZINC000511859416 229325888 /nfs/dbraw/zinc/32/58/88/229325888.db2.gz NDDBUMZANMJJTA-TZMCWYRMSA-N 1 0 235.396 3.821 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000511872100 534517507 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229328463 /nfs/dbraw/zinc/32/84/63/229328463.db2.gz NDOSHSYFCQKJLZ-UKRRQHHQSA-N 1 0 233.330 3.590 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000511874596 229327711 /nfs/dbraw/zinc/32/77/11/229327711.db2.gz NDOSHSYFCQKJLZ-ZFWWWQNUSA-N 1 0 233.330 3.590 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000511878679 534471462 /nfs/dbraw/zinc/47/14/62/534471462.db2.gz YXKPRSQNSBSIOD-CHWSQXEVSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000511878680 534472777 /nfs/dbraw/zinc/47/27/77/534472777.db2.gz YXKPRSQNSBSIOD-OLZOCXBDSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000511878681 534470020 /nfs/dbraw/zinc/47/00/20/534470020.db2.gz YXKPRSQNSBSIOD-QWHCGFSZSA-N 1 0 235.396 3.821 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000511878682 534468824 /nfs/dbraw/zinc/46/88/24/534468824.db2.gz YXKPRSQNSBSIOD-STQMWFEESA-N 1 0 235.396 3.821 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000511955612 534037222 /nfs/dbraw/zinc/03/72/22/534037222.db2.gz GOOXHEQJGAFIBN-LLVKDONJSA-N 1 0 231.364 3.743 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000511955619 229329572 /nfs/dbraw/zinc/32/95/72/229329572.db2.gz GOOXHEQJGAFIBN-NSHDSACASA-N 1 0 231.364 3.743 20 0 BHADRO CC[C@@H](C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000511956402 529473785 /nfs/dbraw/zinc/47/37/85/529473785.db2.gz JLHRXDYKLZTJFN-KBPBESRZSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@@H](C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000511956413 529474151 /nfs/dbraw/zinc/47/41/51/529474151.db2.gz JLHRXDYKLZTJFN-KGLIPLIRSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000511956415 529336721 /nfs/dbraw/zinc/33/67/21/529336721.db2.gz JLHRXDYKLZTJFN-UONOGXRCSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000511956417 529336673 /nfs/dbraw/zinc/33/66/73/529336673.db2.gz JLHRXDYKLZTJFN-ZIAGYGMSSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000511957122 229329335 /nfs/dbraw/zinc/32/93/35/229329335.db2.gz MOZYQTJWYFJQIK-DLGQBQFBSA-N 1 0 235.758 3.695 20 0 BHADRO C[C@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000511957124 229328901 /nfs/dbraw/zinc/32/89/01/229328901.db2.gz MOZYQTJWYFJQIK-JDGPPOGSSA-N 1 0 235.758 3.695 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000511957126 534023450 /nfs/dbraw/zinc/02/34/50/534023450.db2.gz MOZYQTJWYFJQIK-QAVQXKDTSA-N 1 0 235.758 3.695 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000511957127 534022359 /nfs/dbraw/zinc/02/23/59/534022359.db2.gz MOZYQTJWYFJQIK-ZZKXABKFSA-N 1 0 235.758 3.695 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000511957436 534038215 /nfs/dbraw/zinc/03/82/15/534038215.db2.gz ORIOGTKFXKUAEL-CYBMUJFWSA-N 1 0 241.334 3.788 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000511957437 229329453 /nfs/dbraw/zinc/32/94/53/229329453.db2.gz ORIOGTKFXKUAEL-ZDUSSCGKSA-N 1 0 241.334 3.788 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000511979401 534040940 /nfs/dbraw/zinc/04/09/40/534040940.db2.gz VSTYNTGOUFHHBU-SECBINFHSA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000511979402 533640264 /nfs/dbraw/zinc/64/02/64/533640264.db2.gz VSTYNTGOUFHHBU-VIFPVBQESA-N 1 0 244.165 3.835 20 0 BHADRO C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000511979623 229329046 /nfs/dbraw/zinc/32/90/46/229329046.db2.gz XOESKKBDGWCAOM-JTQLQIEISA-N 1 0 249.741 3.928 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000511979624 229328894 /nfs/dbraw/zinc/32/88/94/229328894.db2.gz XOESKKBDGWCAOM-SNVBAGLBSA-N 1 0 249.741 3.928 20 0 BHADRO CCc1ccc(C[NH2+]CC(C(C)C)C(C)C)cn1 ZINC000511979654 529651990 /nfs/dbraw/zinc/65/19/90/529651990.db2.gz YCNOEUVOVBHSKW-UHFFFAOYSA-N 1 0 248.414 3.662 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)CC(C)C)cn1 ZINC000511987333 529651413 /nfs/dbraw/zinc/65/14/13/529651413.db2.gz DICYJQWQFSSIQP-UHFFFAOYSA-N 1 0 248.414 3.806 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1ccc2occc2c1 ZINC000511993810 528949362 /nfs/dbraw/zinc/94/93/62/528949362.db2.gz YYMOWMKRXUGIJB-GFCCVEGCSA-N 1 0 231.339 3.815 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2occc2c1 ZINC000511993811 528397797 /nfs/dbraw/zinc/39/77/97/528397797.db2.gz YYMOWMKRXUGIJB-LBPRGKRZSA-N 1 0 231.339 3.815 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@H]2C=CCCC2)cc1F ZINC000512009931 229329236 /nfs/dbraw/zinc/32/92/36/229329236.db2.gz VGQCDYNAMSGQGY-DSYXLKISSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@H]2C=CCCC2)cc1F ZINC000512009937 229329356 /nfs/dbraw/zinc/32/93/56/229329356.db2.gz VGQCDYNAMSGQGY-IHVVCDCBSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@H]2C=CCCC2)cc1F ZINC000512009938 229329099 /nfs/dbraw/zinc/32/90/99/229329099.db2.gz VGQCDYNAMSGQGY-MUBLQREKSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@H]2C=CCCC2)cc1F ZINC000512009940 229328886 /nfs/dbraw/zinc/32/88/86/229328886.db2.gz VGQCDYNAMSGQGY-ZFDPJTLLSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CC=CCC2)cc1F ZINC000512025626 229329155 /nfs/dbraw/zinc/32/91/55/229329155.db2.gz PXCBLKUIMBUSAV-DSYXLKISSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@H]2CC=CCC2)cc1F ZINC000512025627 229328977 /nfs/dbraw/zinc/32/89/77/229328977.db2.gz PXCBLKUIMBUSAV-IHVVCDCBSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CC=CCC2)cc1F ZINC000512025628 229329035 /nfs/dbraw/zinc/32/90/35/229329035.db2.gz PXCBLKUIMBUSAV-MUBLQREKSA-N 1 0 249.304 3.676 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@H]2CC=CCC2)cc1F ZINC000512025629 229328912 /nfs/dbraw/zinc/32/89/12/229328912.db2.gz PXCBLKUIMBUSAV-ZFDPJTLLSA-N 1 0 249.304 3.676 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512045619 528267701 /nfs/dbraw/zinc/26/77/01/528267701.db2.gz NSULSPQHANFADT-GFCCVEGCSA-N 1 0 231.339 3.957 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512045620 528475251 /nfs/dbraw/zinc/47/52/51/528475251.db2.gz NSULSPQHANFADT-LBPRGKRZSA-N 1 0 231.339 3.957 20 0 BHADRO CCc1ccc(C[NH2+]CC(CC)(CC)CC)cn1 ZINC000512050341 529651943 /nfs/dbraw/zinc/65/19/43/529651943.db2.gz BNFPGCVUXVFPGO-UHFFFAOYSA-N 1 0 248.414 3.950 20 0 BHADRO c1ccc(C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000512050898 229330746 /nfs/dbraw/zinc/33/07/46/229330746.db2.gz FMQIJJYICWGLTO-UHFFFAOYSA-N 1 0 229.367 3.699 20 0 BHADRO CCCCC[N@H+](Cc1cc[nH]n1)[C@H](C)CCC ZINC000512061523 528182128 /nfs/dbraw/zinc/18/21/28/528182128.db2.gz YOKLRNXARNCKJQ-CYBMUJFWSA-N 1 0 237.391 3.591 20 0 BHADRO CCCCC[N@H+](Cc1cc[nH]n1)[C@@H](C)CCC ZINC000512061524 528181918 /nfs/dbraw/zinc/18/19/18/528181918.db2.gz YOKLRNXARNCKJQ-ZDUSSCGKSA-N 1 0 237.391 3.591 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C2CCCCC2)cn1 ZINC000512070733 529656670 /nfs/dbraw/zinc/65/66/70/529656670.db2.gz GUCRKLYJBAYQJA-CYBMUJFWSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C2CCCCC2)cn1 ZINC000512070734 529654503 /nfs/dbraw/zinc/65/45/03/529654503.db2.gz GUCRKLYJBAYQJA-ZDUSSCGKSA-N 1 0 246.398 3.702 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512070803 529413523 /nfs/dbraw/zinc/41/35/23/529413523.db2.gz HQMWZHRWCFUIGG-NEPJUHHUSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512070804 529207158 /nfs/dbraw/zinc/20/71/58/529207158.db2.gz HQMWZHRWCFUIGG-NWDGAFQWSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512071105 529242219 /nfs/dbraw/zinc/24/22/19/529242219.db2.gz HQMWZHRWCFUIGG-RYUDHWBXSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000512071106 529393636 /nfs/dbraw/zinc/39/36/36/529393636.db2.gz HQMWZHRWCFUIGG-VXGBXAGGSA-N 1 0 231.339 3.957 20 0 BHADRO CCc1ccc(C[NH2+]C(CC)(CC)CC)cn1 ZINC000512073145 529651184 /nfs/dbraw/zinc/65/11/84/529651184.db2.gz PZHFWCWIYMWZSY-UHFFFAOYSA-N 1 0 234.387 3.702 20 0 BHADRO CCc1ccc(C[NH2+]CCCCC(C)(C)C)cn1 ZINC000512084455 529651828 /nfs/dbraw/zinc/65/18/28/529651828.db2.gz PMQGZGVIOJVROY-UHFFFAOYSA-N 1 0 248.414 3.950 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2occc2c1)C(C)C ZINC000512089317 529629939 /nfs/dbraw/zinc/62/99/39/529629939.db2.gz RJTHZZZONJQNJJ-AWEZNQCLSA-N 1 0 231.339 3.957 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2occc2c1)C(C)C ZINC000512089318 529185552 /nfs/dbraw/zinc/18/55/52/529185552.db2.gz RJTHZZZONJQNJJ-CQSZACIVSA-N 1 0 231.339 3.957 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2occc2c1 ZINC000512098551 527671008 /nfs/dbraw/zinc/67/10/08/527671008.db2.gz HWMDAGFSHCNQFL-UHFFFAOYSA-N 1 0 231.339 3.959 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000512098720 529650924 /nfs/dbraw/zinc/65/09/24/529650924.db2.gz KPKZVOWKKONASP-UHFFFAOYSA-N 1 0 248.414 3.948 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CC)cn1 ZINC000512100930 529655875 /nfs/dbraw/zinc/65/58/75/529655875.db2.gz WGURMTWHDPIZJP-GDBMZVCRSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC)cn1 ZINC000512100932 529656004 /nfs/dbraw/zinc/65/60/04/529656004.db2.gz WGURMTWHDPIZJP-GOEBONIOSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CC)cn1 ZINC000512100934 529657506 /nfs/dbraw/zinc/65/75/06/529657506.db2.gz WGURMTWHDPIZJP-HOCLYGCPSA-N 1 0 246.398 3.702 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC)cn1 ZINC000512101109 529658351 /nfs/dbraw/zinc/65/83/51/529658351.db2.gz WGURMTWHDPIZJP-ZBFHGGJFSA-N 1 0 246.398 3.702 20 0 BHADRO CC(C)(C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512104537 527688687 /nfs/dbraw/zinc/68/86/87/527688687.db2.gz IRHNXSPKRYIXEM-PLNGDYQASA-N 1 0 239.309 3.614 20 0 BHADRO CC(C)(C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512104538 527688439 /nfs/dbraw/zinc/68/84/39/527688439.db2.gz IRHNXSPKRYIXEM-SNAWJCMRSA-N 1 0 239.309 3.614 20 0 BHADRO c1cc2cc(C[NH2+]C(C3CC3)C3CC3)ccc2o1 ZINC000512115967 229334933 /nfs/dbraw/zinc/33/49/33/229334933.db2.gz RDNSSQRHPZYCCW-UHFFFAOYSA-N 1 0 241.334 3.711 20 0 BHADRO CC1([NH2+]Cc2ccc3occc3c2)CCCC1 ZINC000512116141 528032887 /nfs/dbraw/zinc/03/28/87/528032887.db2.gz MVOMINMZGQNAND-UHFFFAOYSA-N 1 0 229.323 3.855 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512119345 528563787 /nfs/dbraw/zinc/56/37/87/528563787.db2.gz BJGZLUJMVFRSEY-AATRIKPKSA-N 1 0 239.309 3.756 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512119346 528563100 /nfs/dbraw/zinc/56/31/00/528563100.db2.gz BJGZLUJMVFRSEY-WAYWQWQTSA-N 1 0 239.309 3.756 20 0 BHADRO c1cc2cc(C[NH2+]CC3CCCC3)ccc2o1 ZINC000512123334 229334808 /nfs/dbraw/zinc/33/48/08/229334808.db2.gz OANWEXCGXHXAIT-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO c1cc2cc(C[NH2+]C[C@@H]3CC=CCC3)ccc2o1 ZINC000512131773 229334860 /nfs/dbraw/zinc/33/48/60/229334860.db2.gz PSRCBGBUGFSLDJ-CYBMUJFWSA-N 1 0 241.334 3.879 20 0 BHADRO c1cc2cc(C[NH2+]C[C@H]3CC=CCC3)ccc2o1 ZINC000512131775 229335007 /nfs/dbraw/zinc/33/50/07/229335007.db2.gz PSRCBGBUGFSLDJ-ZDUSSCGKSA-N 1 0 241.334 3.879 20 0 BHADRO CCc1ccc(C[NH2+]CCC2CCCCC2)cn1 ZINC000512135679 529651892 /nfs/dbraw/zinc/65/18/92/529651892.db2.gz NJSPMHKCWYBTLZ-UHFFFAOYSA-N 1 0 246.398 3.704 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000512150404 526419441 /nfs/dbraw/zinc/41/94/41/526419441.db2.gz YSMORZVEDWQIJD-CVEARBPZSA-N 1 0 231.383 3.917 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000512150405 526420054 /nfs/dbraw/zinc/42/00/54/526420054.db2.gz YSMORZVEDWQIJD-HOTGVXAUSA-N 1 0 231.383 3.917 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000512150406 526417251 /nfs/dbraw/zinc/41/72/51/526417251.db2.gz YSMORZVEDWQIJD-HZPDHXFCSA-N 1 0 231.383 3.917 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000512150407 526417464 /nfs/dbraw/zinc/41/74/64/526417464.db2.gz YSMORZVEDWQIJD-JKSUJKDBSA-N 1 0 231.383 3.917 20 0 BHADRO CSCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000512153165 229335077 /nfs/dbraw/zinc/33/50/77/229335077.db2.gz QWQSXYCXJXJNGI-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CSCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512153166 229335249 /nfs/dbraw/zinc/33/52/49/229335249.db2.gz QWQSXYCXJXJNGI-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CSCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512153167 229334762 /nfs/dbraw/zinc/33/47/62/229334762.db2.gz QWQSXYCXJXJNGI-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CSCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000512153168 229334980 /nfs/dbraw/zinc/33/49/80/229334980.db2.gz QWQSXYCXJXJNGI-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO COc1ccc(CC[N@@H+]2CCCCC[C@@H]2C)cc1 ZINC000512171413 229335172 /nfs/dbraw/zinc/33/51/72/229335172.db2.gz PXKAWBDGUIKKPK-AWEZNQCLSA-N 1 0 247.382 3.502 20 0 BHADRO COc1ccc(CC[N@@H+]2CCCCC[C@H]2C)cc1 ZINC000512171414 229334543 /nfs/dbraw/zinc/33/45/43/229334543.db2.gz PXKAWBDGUIKKPK-CQSZACIVSA-N 1 0 247.382 3.502 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000512175272 229334745 /nfs/dbraw/zinc/33/47/45/229334745.db2.gz NUYMFAHCWHKIDK-GFCCVEGCSA-N 1 0 244.338 3.592 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000512175273 229334887 /nfs/dbraw/zinc/33/48/87/229334887.db2.gz NUYMFAHCWHKIDK-LBPRGKRZSA-N 1 0 244.338 3.592 20 0 BHADRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000512187367 533767249 /nfs/dbraw/zinc/76/72/49/533767249.db2.gz QBODGLGDWQGKKM-DZGCQCFKSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000512187368 229336042 /nfs/dbraw/zinc/33/60/42/229336042.db2.gz QBODGLGDWQGKKM-HIFRSBDPSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000512187369 534261227 /nfs/dbraw/zinc/26/12/27/534261227.db2.gz QBODGLGDWQGKKM-UKRRQHHQSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCCF)C1 ZINC000512187370 533718943 /nfs/dbraw/zinc/71/89/43/533718943.db2.gz QBODGLGDWQGKKM-ZFWWWQNUSA-N 1 0 235.346 3.819 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](CC1CCCC1)C2 ZINC000512195380 526418304 /nfs/dbraw/zinc/41/83/04/526418304.db2.gz ZFPLYXINPAZCGK-INIZCTEOSA-N 1 0 233.399 3.999 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](CC1CCCC1)C2 ZINC000512195381 526417797 /nfs/dbraw/zinc/41/77/97/526417797.db2.gz ZFPLYXINPAZCGK-MRXNPFEDSA-N 1 0 233.399 3.999 20 0 BHADRO CC[N@H+](Cc1ccccc1N(C)C)[C@@H](C)C(C)C ZINC000512195809 528840305 /nfs/dbraw/zinc/84/03/05/528840305.db2.gz MKFLTZDDWVPCCJ-AWEZNQCLSA-N 1 0 248.414 3.619 20 0 BHADRO CC[N@H+](Cc1ccccc1N(C)C)[C@H](C)C(C)C ZINC000512195811 528840020 /nfs/dbraw/zinc/84/00/20/528840020.db2.gz MKFLTZDDWVPCCJ-CQSZACIVSA-N 1 0 248.414 3.619 20 0 BHADRO Cc1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1 ZINC000512208664 533920542 /nfs/dbraw/zinc/92/05/42/533920542.db2.gz GDYFAIRXESSLFJ-AWEZNQCLSA-N 1 0 217.356 3.760 20 0 BHADRO Cc1ccc(C[N@H+]2CCCCC[C@H]2C)cc1 ZINC000512208665 533920598 /nfs/dbraw/zinc/92/05/98/533920598.db2.gz GDYFAIRXESSLFJ-CQSZACIVSA-N 1 0 217.356 3.760 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)o1)[C@@H](C)C(C)C ZINC000512220544 528783180 /nfs/dbraw/zinc/78/31/80/528783180.db2.gz SSWXNAUYNBBZLY-JTQLQIEISA-N 1 0 229.751 3.799 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)o1)[C@H](C)C(C)C ZINC000512220545 528783688 /nfs/dbraw/zinc/78/36/88/528783688.db2.gz SSWXNAUYNBBZLY-SNVBAGLBSA-N 1 0 229.751 3.799 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1F)[C@H](C)C(C)C ZINC000512226382 528812563 /nfs/dbraw/zinc/81/25/63/528812563.db2.gz IHKNHDFEUFNDQT-LLVKDONJSA-N 1 0 241.325 3.831 20 0 BHADRO CC[N@H+](Cc1ccc(C)s1)[C@H](C)C(C)C ZINC000512226882 528777540 /nfs/dbraw/zinc/77/75/40/528777540.db2.gz KCLNYKGQLCQCRX-GFCCVEGCSA-N 1 0 225.401 3.923 20 0 BHADRO CC[N@H+](Cc1ccc(C)s1)[C@@H](C)C(C)C ZINC000512226883 528777193 /nfs/dbraw/zinc/77/71/93/528777193.db2.gz KCLNYKGQLCQCRX-LBPRGKRZSA-N 1 0 225.401 3.923 20 0 BHADRO CCc1ccc(C[N@@H+](CC)[C@H](C)C(C)C)o1 ZINC000512227723 529637211 /nfs/dbraw/zinc/63/72/11/529637211.db2.gz MSNHWUFEXQVAIV-GFCCVEGCSA-N 1 0 223.360 3.708 20 0 BHADRO CCc1ccc(C[N@@H+](CC)[C@@H](C)C(C)C)o1 ZINC000512227726 529637495 /nfs/dbraw/zinc/63/74/95/529637495.db2.gz MSNHWUFEXQVAIV-LBPRGKRZSA-N 1 0 223.360 3.708 20 0 BHADRO CC[N@H+](C[C@H]1CC=CCC1)[C@@H](C)C(C)C ZINC000512228509 528743115 /nfs/dbraw/zinc/74/31/15/528743115.db2.gz OJSVMEKCFKMABI-KBPBESRZSA-N 1 0 209.377 3.709 20 0 BHADRO CC[N@H+](C[C@H]1CC=CCC1)[C@H](C)C(C)C ZINC000512228510 528743545 /nfs/dbraw/zinc/74/35/45/528743545.db2.gz OJSVMEKCFKMABI-KGLIPLIRSA-N 1 0 209.377 3.709 20 0 BHADRO CC[N@H+](C[C@@H]1CC=CCC1)[C@@H](C)C(C)C ZINC000512228512 528670887 /nfs/dbraw/zinc/67/08/87/528670887.db2.gz OJSVMEKCFKMABI-UONOGXRCSA-N 1 0 209.377 3.709 20 0 BHADRO CC[N@H+](C[C@@H]1CC=CCC1)[C@H](C)C(C)C ZINC000512228514 528670662 /nfs/dbraw/zinc/67/06/62/528670662.db2.gz OJSVMEKCFKMABI-ZIAGYGMSSA-N 1 0 209.377 3.709 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)o1 ZINC000512229384 534060300 /nfs/dbraw/zinc/06/03/00/534060300.db2.gz NRFODCHOOZHTMH-GXTWGEPZSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)o1 ZINC000512229385 534058946 /nfs/dbraw/zinc/05/89/46/534058946.db2.gz NRFODCHOOZHTMH-JSGCOSHPSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)o1 ZINC000512229386 534059381 /nfs/dbraw/zinc/05/93/81/534059381.db2.gz NRFODCHOOZHTMH-OCCSQVGLSA-N 1 0 235.371 3.894 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)o1 ZINC000512229387 534059712 /nfs/dbraw/zinc/05/97/12/534059712.db2.gz NRFODCHOOZHTMH-TZMCWYRMSA-N 1 0 235.371 3.894 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000512232077 229335676 /nfs/dbraw/zinc/33/56/76/229335676.db2.gz AEXHPFADHGYPEW-DZGCQCFKSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000512232078 229335618 /nfs/dbraw/zinc/33/56/18/229335618.db2.gz AEXHPFADHGYPEW-HIFRSBDPSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000512232079 229336211 /nfs/dbraw/zinc/33/62/11/229336211.db2.gz AEXHPFADHGYPEW-UKRRQHHQSA-N 1 0 247.382 3.698 20 0 BHADRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000512232080 229337558 /nfs/dbraw/zinc/33/75/58/229337558.db2.gz AEXHPFADHGYPEW-ZFWWWQNUSA-N 1 0 247.382 3.698 20 0 BHADRO CC[N@H+](Cc1sccc1C)[C@H](C)C(C)C ZINC000512236263 528920098 /nfs/dbraw/zinc/92/00/98/528920098.db2.gz GDLQMPOUHZGAQR-GFCCVEGCSA-N 1 0 225.401 3.923 20 0 BHADRO CC[N@H+](Cc1sccc1C)[C@@H](C)C(C)C ZINC000512236264 528920291 /nfs/dbraw/zinc/92/02/91/528920291.db2.gz GDLQMPOUHZGAQR-LBPRGKRZSA-N 1 0 225.401 3.923 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(C)C ZINC000512236570 528812852 /nfs/dbraw/zinc/81/28/52/528812852.db2.gz IPBDMQWRKQBFAE-GFCCVEGCSA-N 1 0 223.335 3.692 20 0 BHADRO CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000512237286 528786199 /nfs/dbraw/zinc/78/61/99/528786199.db2.gz OUZFYOLLJLNMLC-GFCCVEGCSA-N 1 0 223.335 3.692 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(C)C ZINC000512237631 528793209 /nfs/dbraw/zinc/79/32/09/528793209.db2.gz UMIOAWYXQPVHEN-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000512237632 528792940 /nfs/dbraw/zinc/79/29/40/528792940.db2.gz UMIOAWYXQPVHEN-ZDUSSCGKSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@H+](Cc1ccccc1F)[C@H](C)C(C)C ZINC000512237733 528839095 /nfs/dbraw/zinc/83/90/95/528839095.db2.gz VKFYDRXVFQOMCL-GFCCVEGCSA-N 1 0 223.335 3.692 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000512240186 528831264 /nfs/dbraw/zinc/83/12/64/528831264.db2.gz CPBIUMNBHKLUJE-ZDUSSCGKSA-N 1 0 205.345 3.553 20 0 BHADRO CC[N@H+](Cc1ccc(F)c(F)c1)[C@H](C)C(C)C ZINC000512240514 528786752 /nfs/dbraw/zinc/78/67/52/528786752.db2.gz DOWQKCJFFFANPL-LLVKDONJSA-N 1 0 241.325 3.831 20 0 BHADRO CC[N@H+](Cc1ccc(F)c(F)c1)[C@@H](C)C(C)C ZINC000512240515 528787158 /nfs/dbraw/zinc/78/71/58/528787158.db2.gz DOWQKCJFFFANPL-NSHDSACASA-N 1 0 241.325 3.831 20 0 BHADRO CCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512245182 528159584 /nfs/dbraw/zinc/15/95/84/528159584.db2.gz QDVOSDGTWOWCBA-GFCCVEGCSA-N 1 0 203.329 3.622 20 0 BHADRO CCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512245183 528157790 /nfs/dbraw/zinc/15/77/90/528157790.db2.gz QDVOSDGTWOWCBA-LBPRGKRZSA-N 1 0 203.329 3.622 20 0 BHADRO CC[N@H+](Cc1ccccc1OC)[C@H](C)C(C)C ZINC000512247134 528841385 /nfs/dbraw/zinc/84/13/85/528841385.db2.gz WPNKPBPLMDDINV-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@H+](Cc1ccccc1OC)[C@@H](C)C(C)C ZINC000512247135 528841447 /nfs/dbraw/zinc/84/14/47/528841447.db2.gz WPNKPBPLMDDINV-ZDUSSCGKSA-N 1 0 235.371 3.562 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)ccc1C ZINC000512250074 528537789 /nfs/dbraw/zinc/53/77/89/528537789.db2.gz RWFISFCGSGOULS-UHFFFAOYSA-N 1 0 219.372 3.924 20 0 BHADRO CCC[C@]1([NH2+]CCCC2CCCC2)CCOC1 ZINC000512256907 528530341 /nfs/dbraw/zinc/53/03/41/528530341.db2.gz CSEFWNYUFQUYCA-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO CCC[C@@]1([NH2+]CCCC2CCCC2)CCOC1 ZINC000512256908 527961039 /nfs/dbraw/zinc/96/10/39/527961039.db2.gz CSEFWNYUFQUYCA-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO CC/C=C\CC[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000512261658 528789821 /nfs/dbraw/zinc/78/98/21/528789821.db2.gz QVKYOZKPTBIJBS-PLNGDYQASA-N 1 0 245.366 3.546 20 0 BHADRO CC/C=C/CC[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000512261659 528772332 /nfs/dbraw/zinc/77/23/32/528772332.db2.gz QVKYOZKPTBIJBS-SNAWJCMRSA-N 1 0 245.366 3.546 20 0 BHADRO CCSCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512262132 529179129 /nfs/dbraw/zinc/17/91/29/529179129.db2.gz RWBOILRIDHEBKY-CYBMUJFWSA-N 1 0 249.423 3.965 20 0 BHADRO CCSCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512262133 529179035 /nfs/dbraw/zinc/17/90/35/529179035.db2.gz RWBOILRIDHEBKY-ZDUSSCGKSA-N 1 0 249.423 3.965 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000512263538 528537220 /nfs/dbraw/zinc/53/72/20/528537220.db2.gz USHXXBNIGDGLEM-UHFFFAOYSA-N 1 0 219.372 3.924 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCOc1ccccc1 ZINC000512264618 528538336 /nfs/dbraw/zinc/53/83/36/528538336.db2.gz WEZUURGSRQBIHK-UHFFFAOYSA-N 1 0 235.371 3.576 20 0 BHADRO CC[C@@H](F)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512269720 529550577 /nfs/dbraw/zinc/55/05/77/529550577.db2.gz MQCUAQFYELBPMN-GXTWGEPZSA-N 1 0 235.346 3.960 20 0 BHADRO CC[C@H](F)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512269721 529436632 /nfs/dbraw/zinc/43/66/32/529436632.db2.gz MQCUAQFYELBPMN-JSGCOSHPSA-N 1 0 235.346 3.960 20 0 BHADRO CC[C@H](F)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512269722 529436511 /nfs/dbraw/zinc/43/65/11/529436511.db2.gz MQCUAQFYELBPMN-OCCSQVGLSA-N 1 0 235.346 3.960 20 0 BHADRO CC[C@@H](F)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512269723 529551802 /nfs/dbraw/zinc/55/18/02/529551802.db2.gz MQCUAQFYELBPMN-TZMCWYRMSA-N 1 0 235.346 3.960 20 0 BHADRO CCOCC[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000512292665 528723038 /nfs/dbraw/zinc/72/30/38/528723038.db2.gz ITODOJMGPFBTPK-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CCOCC[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000512292666 528723474 /nfs/dbraw/zinc/72/34/74/528723474.db2.gz ITODOJMGPFBTPK-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO C[N@H+](CCC(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000512311946 529873608 /nfs/dbraw/zinc/87/36/08/529873608.db2.gz AUZKOWSELDQEIG-INIZCTEOSA-N 1 0 245.410 3.912 20 0 BHADRO C[N@H+](CCC(C)(C)C)[C@@H]1CCc2ccccc2C1 ZINC000512311948 529873682 /nfs/dbraw/zinc/87/36/82/529873682.db2.gz AUZKOWSELDQEIG-MRXNPFEDSA-N 1 0 245.410 3.912 20 0 BHADRO C[N@H+](CC1CCCC1)[C@H]1CCc2ccccc2C1 ZINC000512317938 529864039 /nfs/dbraw/zinc/86/40/39/529864039.db2.gz HTNCMPSVBZOFIX-KRWDZBQOSA-N 1 0 243.394 3.666 20 0 BHADRO C[N@H+](CC1CCCC1)[C@@H]1CCc2ccccc2C1 ZINC000512317939 529864061 /nfs/dbraw/zinc/86/40/61/529864061.db2.gz HTNCMPSVBZOFIX-QGZVFWFLSA-N 1 0 243.394 3.666 20 0 BHADRO C[N@@H+]([C@H]1C=CCCC1)[C@@H]1CCc2ccccc2C1 ZINC000512319234 530034055 /nfs/dbraw/zinc/03/40/55/530034055.db2.gz XCFXNSSEOPQRSK-DLBZAZTESA-N 1 0 241.378 3.584 20 0 BHADRO C[N@H+]([C@@H]1CCc2ccccc2C1)[C@@H]1C=CCCC1 ZINC000512319235 530033542 /nfs/dbraw/zinc/03/35/42/530033542.db2.gz XCFXNSSEOPQRSK-IAGOWNOFSA-N 1 0 241.378 3.584 20 0 BHADRO C[N@@H+]([C@H]1C=CCCC1)[C@H]1CCc2ccccc2C1 ZINC000512319236 530034080 /nfs/dbraw/zinc/03/40/80/530034080.db2.gz XCFXNSSEOPQRSK-IRXDYDNUSA-N 1 0 241.378 3.584 20 0 BHADRO C[N@@H+]([C@@H]1C=CCCC1)[C@H]1CCc2ccccc2C1 ZINC000512319237 530033081 /nfs/dbraw/zinc/03/30/81/530033081.db2.gz XCFXNSSEOPQRSK-SJORKVTESA-N 1 0 241.378 3.584 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000512349879 527698441 /nfs/dbraw/zinc/69/84/41/527698441.db2.gz CBAQIFGFEREAHX-AWEZNQCLSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000512349880 527703791 /nfs/dbraw/zinc/70/37/91/527703791.db2.gz CBAQIFGFEREAHX-CQSZACIVSA-N 1 0 247.382 3.793 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000512610147 528943736 /nfs/dbraw/zinc/94/37/36/528943736.db2.gz WPIZGGYTJXAUSK-UHFFFAOYSA-N 1 0 229.323 3.807 20 0 BHADRO COc1ccccc1/C=C/C[N@@H+]1CCCC1(C)C ZINC000512610340 533946344 /nfs/dbraw/zinc/94/63/44/533946344.db2.gz ZRCRPADJVZQQTO-RMKNXTFCSA-N 1 0 245.366 3.583 20 0 BHADRO COc1ccccc1/C=C\C[N@@H+]1CCCC1(C)C ZINC000512610341 533959802 /nfs/dbraw/zinc/95/98/02/533959802.db2.gz ZRCRPADJVZQQTO-TWGQIWQCSA-N 1 0 245.366 3.583 20 0 BHADRO CC1(C)CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000512628797 528942258 /nfs/dbraw/zinc/94/22/58/528942258.db2.gz OHNZGHPAAZTACF-HWKANZROSA-N 1 0 233.330 3.713 20 0 BHADRO CC1(C)CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000512628800 528942672 /nfs/dbraw/zinc/94/26/72/528942672.db2.gz OHNZGHPAAZTACF-HYXAFXHYSA-N 1 0 233.330 3.713 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1C ZINC000512634516 229356850 /nfs/dbraw/zinc/35/68/50/229356850.db2.gz CYTQBYBCWFHGII-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1C ZINC000512634517 229356580 /nfs/dbraw/zinc/35/65/80/229356580.db2.gz CYTQBYBCWFHGII-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1C ZINC000512634518 229356641 /nfs/dbraw/zinc/35/66/41/229356641.db2.gz CYTQBYBCWFHGII-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1C ZINC000512634519 229356541 /nfs/dbraw/zinc/35/65/41/229356541.db2.gz CYTQBYBCWFHGII-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000512645268 528944621 /nfs/dbraw/zinc/94/46/21/528944621.db2.gz ZYYAVVGGLYQWGD-CABCVRRESA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000512645269 528944731 /nfs/dbraw/zinc/94/47/31/528944731.db2.gz ZYYAVVGGLYQWGD-HUUCEWRRSA-N 1 0 229.367 3.665 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000512645271 528943753 /nfs/dbraw/zinc/94/37/53/528943753.db2.gz ZYYAVVGGLYQWGD-LSDHHAIUSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H]1C ZINC000512649253 533880087 /nfs/dbraw/zinc/88/00/87/533880087.db2.gz RAITWKWHGJZANX-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H]1C ZINC000512649254 533879725 /nfs/dbraw/zinc/87/97/25/533879725.db2.gz RAITWKWHGJZANX-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@H]1C ZINC000512649255 533881074 /nfs/dbraw/zinc/88/10/74/533881074.db2.gz RAITWKWHGJZANX-VOAKCMCISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC000512649257 533881119 /nfs/dbraw/zinc/88/11/19/533881119.db2.gz RAITWKWHGJZANX-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000512652612 526418663 /nfs/dbraw/zinc/41/86/63/526418663.db2.gz PUNKTFAMDLHNAA-DZGCQCFKSA-N 1 0 219.372 3.607 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000512652616 526418601 /nfs/dbraw/zinc/41/86/01/526418601.db2.gz PUNKTFAMDLHNAA-HIFRSBDPSA-N 1 0 219.372 3.607 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000512652617 526418199 /nfs/dbraw/zinc/41/81/99/526418199.db2.gz PUNKTFAMDLHNAA-UKRRQHHQSA-N 1 0 219.372 3.607 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000512652619 526417725 /nfs/dbraw/zinc/41/77/25/526417725.db2.gz PUNKTFAMDLHNAA-ZFWWWQNUSA-N 1 0 219.372 3.607 20 0 BHADRO C[N@H+](CCc1cccc2ccccc21)CC1CC1 ZINC000512669542 529933858 /nfs/dbraw/zinc/93/38/58/529933858.db2.gz VCWOGILXNMOIEP-UHFFFAOYSA-N 1 0 239.362 3.724 20 0 BHADRO C[N@@H+](Cc1cc(F)cc(F)c1)CC1CCCC1 ZINC000512669718 529980027 /nfs/dbraw/zinc/98/00/27/529980027.db2.gz XQTRKCVJPWOZFF-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000512672163 229358707 /nfs/dbraw/zinc/35/87/07/229358707.db2.gz IUEDEBUDDRBJQO-GUIRCDHDSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000512672164 229358301 /nfs/dbraw/zinc/35/83/01/229358301.db2.gz IUEDEBUDDRBJQO-KYEXWDHISA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000512672165 229358780 /nfs/dbraw/zinc/35/87/80/229358780.db2.gz IUEDEBUDDRBJQO-RGCMKSIDSA-N 1 0 235.371 3.625 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000512672166 229358670 /nfs/dbraw/zinc/35/86/70/229358670.db2.gz IUEDEBUDDRBJQO-SFDCQRBFSA-N 1 0 235.371 3.625 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)CC1CCCC1 ZINC000512682168 529820532 /nfs/dbraw/zinc/82/05/32/529820532.db2.gz DMBSUFIOVXXJHI-GHXNOFRVSA-N 1 0 229.367 3.822 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000512686605 533878221 /nfs/dbraw/zinc/87/82/21/533878221.db2.gz IFQBAYWYUMOKPR-UHFFFAOYSA-N 1 0 247.357 3.755 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CCCC1 ZINC000512687875 529957817 /nfs/dbraw/zinc/95/78/17/529957817.db2.gz YYCWLXBSSFPXPV-DLBZAZTESA-N 1 0 243.394 3.912 20 0 BHADRO C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CCCC1 ZINC000512687876 529973076 /nfs/dbraw/zinc/97/30/76/529973076.db2.gz YYCWLXBSSFPXPV-IAGOWNOFSA-N 1 0 243.394 3.912 20 0 BHADRO C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CCCC1 ZINC000512687877 529973053 /nfs/dbraw/zinc/97/30/53/529973053.db2.gz YYCWLXBSSFPXPV-SJORKVTESA-N 1 0 243.394 3.912 20 0 BHADRO C[N@@H+](Cc1cccc2cc[nH]c21)CC1CCCC1 ZINC000512694998 529996409 /nfs/dbraw/zinc/99/64/09/529996409.db2.gz ZKXDBRDUSPJYNQ-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CCC(CC)C[N@H+](C)C(C1CC1)C1CC1 ZINC000512696635 528736680 /nfs/dbraw/zinc/73/66/80/528736680.db2.gz CSPOAMQDAKJLJV-UHFFFAOYSA-N 1 0 209.377 3.543 20 0 BHADRO Cc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1F ZINC000512696659 533864447 /nfs/dbraw/zinc/86/44/47/533864447.db2.gz DGVCSARITPQIHE-UHFFFAOYSA-N 1 0 247.357 3.755 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C)C(C2CC2)C2CC2)c1 ZINC000512696660 229359704 /nfs/dbraw/zinc/35/97/04/229359704.db2.gz DGVJHALKELRCDR-UHFFFAOYSA-N 1 0 247.357 3.755 20 0 BHADRO C[N@@H+](Cc1cccc2[nH]ccc21)CC1CCCC1 ZINC000512701112 529996300 /nfs/dbraw/zinc/99/63/00/529996300.db2.gz IQKMLBPGBSASGH-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C2CC2)C2CC2)ccc1F ZINC000512709548 534164911 /nfs/dbraw/zinc/16/49/11/534164911.db2.gz BANGLQVZZRYVMY-UHFFFAOYSA-N 1 0 247.357 3.755 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000512716076 229361564 /nfs/dbraw/zinc/36/15/64/229361564.db2.gz MBHQTDZNZIBSTG-INDWDQIESA-N 1 0 229.367 3.964 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000512716077 229360680 /nfs/dbraw/zinc/36/06/80/229360680.db2.gz MBHQTDZNZIBSTG-JQVXPOPVSA-N 1 0 229.367 3.964 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000512716078 229360903 /nfs/dbraw/zinc/36/09/03/229360903.db2.gz MBHQTDZNZIBSTG-LDCOFTPGSA-N 1 0 229.367 3.964 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000512716079 229359809 /nfs/dbraw/zinc/35/98/09/229359809.db2.gz MBHQTDZNZIBSTG-PINLSGDHSA-N 1 0 229.367 3.964 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@H]1C ZINC000512863546 229376610 /nfs/dbraw/zinc/37/66/10/229376610.db2.gz CDOZONDCPUKKSL-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@H]1C ZINC000512863547 534256359 /nfs/dbraw/zinc/25/63/59/534256359.db2.gz CDOZONDCPUKKSL-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@@H]1C ZINC000512863548 229375589 /nfs/dbraw/zinc/37/55/89/229375589.db2.gz CDOZONDCPUKKSL-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@@H]1C ZINC000512863549 534256380 /nfs/dbraw/zinc/25/63/80/534256380.db2.gz CDOZONDCPUKKSL-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CC([NH2+]CC2(C(F)(F)F)CC2)C[C@H](C)C1 ZINC000512865056 229376247 /nfs/dbraw/zinc/37/62/47/229376247.db2.gz RATNBVAVEUKCEG-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@@H](C)C1 ZINC000512865057 534111007 /nfs/dbraw/zinc/11/10/07/534111007.db2.gz RATNBVAVEUKCEG-URLYPYJESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC([NH2+]CC2(C(F)(F)F)CC2)C[C@@H](C)C1 ZINC000512865058 229375951 /nfs/dbraw/zinc/37/59/51/229375951.db2.gz RATNBVAVEUKCEG-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512865377 229376047 /nfs/dbraw/zinc/37/60/47/229376047.db2.gz SQGXJBQHLSMUNP-GHMZBOCLSA-N 1 0 249.320 3.745 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512865378 533600501 /nfs/dbraw/zinc/60/05/01/533600501.db2.gz SQGXJBQHLSMUNP-MNOVXSKESA-N 1 0 249.320 3.745 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512865380 229376350 /nfs/dbraw/zinc/37/63/50/229376350.db2.gz SQGXJBQHLSMUNP-QWRGUYRKSA-N 1 0 249.320 3.745 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512865381 229376084 /nfs/dbraw/zinc/37/60/84/229376084.db2.gz SQGXJBQHLSMUNP-WDEREUQCSA-N 1 0 249.320 3.745 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000512865393 528877852 /nfs/dbraw/zinc/87/78/52/528877852.db2.gz SSHIFBHIOPIVAR-CYBMUJFWSA-N 1 0 247.382 3.710 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000512865394 528034149 /nfs/dbraw/zinc/03/41/49/528034149.db2.gz SSHIFBHIOPIVAR-ZDUSSCGKSA-N 1 0 247.382 3.710 20 0 BHADRO FC(F)(F)C1(C[NH2+]CC2CCCCCC2)CC1 ZINC000512869004 534377375 /nfs/dbraw/zinc/37/73/75/534377375.db2.gz LZLUAOBBRWYCGF-UHFFFAOYSA-N 1 0 249.320 3.889 20 0 BHADRO CC1(C)CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000512869499 528907842 /nfs/dbraw/zinc/90/78/42/528907842.db2.gz TWBATZFHGUDQGA-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)C1([NH2+]C[C@@H]2CC=CCC2)CCCCC1 ZINC000512897184 487563844 /nfs/dbraw/zinc/56/38/44/487563844.db2.gz ZYOJMKQARZUYCP-GFCCVEGCSA-N 1 0 243.341 3.900 20 0 BHADRO FC(F)C1([NH2+]C[C@H]2CC=CCC2)CCCCC1 ZINC000512897185 229378624 /nfs/dbraw/zinc/37/86/24/229378624.db2.gz ZYOJMKQARZUYCP-LBPRGKRZSA-N 1 0 243.341 3.900 20 0 BHADRO CCC1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000512899007 527857149 /nfs/dbraw/zinc/85/71/49/527857149.db2.gz MYAVDVPOQYFWKG-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512903648 529305259 /nfs/dbraw/zinc/30/52/59/529305259.db2.gz CZTMFKCAXXLIKB-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512903649 529315589 /nfs/dbraw/zinc/31/55/89/529315589.db2.gz CZTMFKCAXXLIKB-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512903650 529231143 /nfs/dbraw/zinc/23/11/43/529231143.db2.gz CZTMFKCAXXLIKB-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512903651 529223297 /nfs/dbraw/zinc/22/32/97/529223297.db2.gz CZTMFKCAXXLIKB-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000512903816 229377891 /nfs/dbraw/zinc/37/78/91/229377891.db2.gz HKPNKFXYSUNQBK-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000512903817 229378014 /nfs/dbraw/zinc/37/80/14/229378014.db2.gz HKPNKFXYSUNQBK-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000512903818 229378405 /nfs/dbraw/zinc/37/84/05/229378405.db2.gz HKPNKFXYSUNQBK-VHSXEESVSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000512903819 534147297 /nfs/dbraw/zinc/14/72/97/534147297.db2.gz HKPNKFXYSUNQBK-ZJUUUORDSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512909401 528985473 /nfs/dbraw/zinc/98/54/73/528985473.db2.gz XZPLVTUSKBEQON-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512909402 528960267 /nfs/dbraw/zinc/96/02/67/528960267.db2.gz XZPLVTUSKBEQON-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CSCc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000512977582 229381125 /nfs/dbraw/zinc/38/11/25/229381125.db2.gz OKUKGEBORWKUTQ-UHFFFAOYSA-N 1 0 249.423 3.972 20 0 BHADRO CSCc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000512977649 229380760 /nfs/dbraw/zinc/38/07/60/229380760.db2.gz PSSHVGBLTWVWNA-DOMZBBRYSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000512977650 229381036 /nfs/dbraw/zinc/38/10/36/229381036.db2.gz PSSHVGBLTWVWNA-IUODEOHRSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000512977651 229381172 /nfs/dbraw/zinc/38/11/72/229381172.db2.gz PSSHVGBLTWVWNA-SWLSCSKDSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000512977652 229380282 /nfs/dbraw/zinc/38/02/82/229380282.db2.gz PSSHVGBLTWVWNA-WFASDCNBSA-N 1 0 249.423 3.828 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000512983236 528878181 /nfs/dbraw/zinc/87/81/81/528878181.db2.gz NRSUDHJCAMNFCU-NEPJUHHUSA-N 1 0 245.370 3.650 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000512983237 528033803 /nfs/dbraw/zinc/03/38/03/528033803.db2.gz NRSUDHJCAMNFCU-NWDGAFQWSA-N 1 0 245.370 3.650 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000512983238 528033905 /nfs/dbraw/zinc/03/39/05/528033905.db2.gz NRSUDHJCAMNFCU-RYUDHWBXSA-N 1 0 245.370 3.650 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000512983239 528878267 /nfs/dbraw/zinc/87/82/67/528878267.db2.gz NRSUDHJCAMNFCU-VXGBXAGGSA-N 1 0 245.370 3.650 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000512983850 229381374 /nfs/dbraw/zinc/38/13/74/229381374.db2.gz XRGQIOGTHRUFLQ-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000512983851 229381184 /nfs/dbraw/zinc/38/11/84/229381184.db2.gz XRGQIOGTHRUFLQ-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000512983852 229380587 /nfs/dbraw/zinc/38/05/87/229380587.db2.gz XRGQIOGTHRUFLQ-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000512983853 229381346 /nfs/dbraw/zinc/38/13/46/229381346.db2.gz XRGQIOGTHRUFLQ-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO FC(F)(F)C1(C[NH2+]CC2CCCCC2)CCC1 ZINC000512989070 534377677 /nfs/dbraw/zinc/37/76/77/534377677.db2.gz OFOGLIZFFAFSBD-UHFFFAOYSA-N 1 0 249.320 3.889 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CC1(C)C ZINC000512989230 229382387 /nfs/dbraw/zinc/38/23/87/229382387.db2.gz QULJKXWNKXYAIU-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1CC1(C)C ZINC000512989231 229383048 /nfs/dbraw/zinc/38/30/48/229383048.db2.gz QULJKXWNKXYAIU-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CC1(C)C ZINC000512989232 229382112 /nfs/dbraw/zinc/38/21/12/229382112.db2.gz QULJKXWNKXYAIU-VHSXEESVSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1CC1(C)C ZINC000512989233 229381514 /nfs/dbraw/zinc/38/15/14/229381514.db2.gz QULJKXWNKXYAIU-ZJUUUORDSA-N 1 0 249.320 3.743 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[C@H]1C ZINC000512997829 527525662 /nfs/dbraw/zinc/52/56/62/527525662.db2.gz JUUCTKOTQKMDPK-ATNYILSGSA-N 1 0 249.785 3.989 20 0 BHADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000512997830 527525377 /nfs/dbraw/zinc/52/53/77/527525377.db2.gz JUUCTKOTQKMDPK-FPZMODKHSA-N 1 0 249.785 3.989 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[C@H]1C ZINC000512997831 527499603 /nfs/dbraw/zinc/49/96/03/527499603.db2.gz JUUCTKOTQKMDPK-NISKNZPMSA-N 1 0 249.785 3.989 20 0 BHADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000512997832 527500046 /nfs/dbraw/zinc/50/00/46/527500046.db2.gz JUUCTKOTQKMDPK-YBWWQLIBSA-N 1 0 249.785 3.989 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1cccc(O)c1 ZINC000513027018 529877703 /nfs/dbraw/zinc/87/77/03/529877703.db2.gz IBOAXOXDEZTNAX-UHFFFAOYSA-N 1 0 247.382 3.794 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000513027765 527704879 /nfs/dbraw/zinc/70/48/79/527704879.db2.gz OLFGVMIKPAUJDL-GFCCVEGCSA-N 1 0 245.370 3.650 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513027766 527704859 /nfs/dbraw/zinc/70/48/59/527704859.db2.gz OLFGVMIKPAUJDL-LBPRGKRZSA-N 1 0 245.370 3.650 20 0 BHADRO Cc1ncccc1C[N@H+](C)CCC1CCCCC1 ZINC000513028063 229384639 /nfs/dbraw/zinc/38/46/39/229384639.db2.gz UKWPXXUYYIZGHL-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC2CCCCC2)nc1 ZINC000513036685 533872915 /nfs/dbraw/zinc/87/29/15/533872915.db2.gz OFHFBBPVYCZQJW-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000513037499 526281149 /nfs/dbraw/zinc/28/11/49/526281149.db2.gz RXSLZHXEGJHADU-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CCC[C@H]3C)ccc2[nH]1 ZINC000513047678 534093534 /nfs/dbraw/zinc/09/35/34/534093534.db2.gz UPFIWTMJYQUTDK-ABAIWWIYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3C)ccc2[nH]1 ZINC000513047679 534093235 /nfs/dbraw/zinc/09/32/35/534093235.db2.gz UPFIWTMJYQUTDK-IAQYHMDHSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CCC[C@@H]3C)ccc2[nH]1 ZINC000513047680 534091973 /nfs/dbraw/zinc/09/19/73/534091973.db2.gz UPFIWTMJYQUTDK-NHYWBVRUSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3C)ccc2[nH]1 ZINC000513047681 534093040 /nfs/dbraw/zinc/09/30/40/534093040.db2.gz UPFIWTMJYQUTDK-XHDPSFHLSA-N 1 0 242.366 3.755 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513050442 527445493 /nfs/dbraw/zinc/44/54/93/527445493.db2.gz GGLXZGAEXCHHSB-JKSUJKDBSA-N 1 0 229.367 3.879 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000513051272 529327455 /nfs/dbraw/zinc/32/74/55/529327455.db2.gz LDQSDYILWMKZSH-LLVKDONJSA-N 1 0 230.355 3.612 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000513051273 529667823 /nfs/dbraw/zinc/66/78/23/529667823.db2.gz LDQSDYILWMKZSH-NSHDSACASA-N 1 0 230.355 3.612 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@H]1C ZINC000513051461 533991704 /nfs/dbraw/zinc/99/17/04/533991704.db2.gz MFXRPBNIOJIWDJ-FMKPAKJESA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]1C ZINC000513051463 533990940 /nfs/dbraw/zinc/99/09/40/533990940.db2.gz MFXRPBNIOJIWDJ-IIAWOOMASA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]1C ZINC000513051464 533990117 /nfs/dbraw/zinc/99/01/17/533990117.db2.gz MFXRPBNIOJIWDJ-IJEWVQPXSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@@H]1C ZINC000513051465 533990826 /nfs/dbraw/zinc/99/08/26/533990826.db2.gz MFXRPBNIOJIWDJ-YCPHGPKFSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@H]3CC[C@H]3C)cc2c(C)c1 ZINC000513062793 229385370 /nfs/dbraw/zinc/38/53/70/229385370.db2.gz HWZKWYKISXXSMG-ABAIWWIYSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@@H]3CC[C@H]3C)cc2c(C)c1 ZINC000513062794 229385036 /nfs/dbraw/zinc/38/50/36/229385036.db2.gz HWZKWYKISXXSMG-IAQYHMDHSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@H]3CC[C@@H]3C)cc2c(C)c1 ZINC000513062795 229385912 /nfs/dbraw/zinc/38/59/12/229385912.db2.gz HWZKWYKISXXSMG-NHYWBVRUSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1cc2[nH]c(C[NH2+][C@@H]3CC[C@@H]3C)cc2c(C)c1 ZINC000513062796 229386147 /nfs/dbraw/zinc/38/61/47/229386147.db2.gz HWZKWYKISXXSMG-XHDPSFHLSA-N 1 0 242.366 3.673 20 0 BHADRO CC(C)COc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000513063404 528174183 /nfs/dbraw/zinc/17/41/83/528174183.db2.gz KPZYCDLOMFEXHV-BBRMVZONSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000513063405 528173556 /nfs/dbraw/zinc/17/35/56/528173556.db2.gz KPZYCDLOMFEXHV-CJNGLKHVSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000513063406 528173255 /nfs/dbraw/zinc/17/32/55/528173255.db2.gz KPZYCDLOMFEXHV-CZUORRHYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000513063407 528173472 /nfs/dbraw/zinc/17/34/72/528173472.db2.gz KPZYCDLOMFEXHV-XJKSGUPXSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513065039 529668365 /nfs/dbraw/zinc/66/83/65/529668365.db2.gz SVKZLZLWXVYFNB-CWRNSKLLSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513065040 529327673 /nfs/dbraw/zinc/32/76/73/529327673.db2.gz SVKZLZLWXVYFNB-VNQPRFMTSA-N 1 0 231.383 3.958 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000513070074 528702315 /nfs/dbraw/zinc/70/23/15/528702315.db2.gz QWOILVHYFWLAOJ-DZGCQCFKSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C ZINC000513070075 528701593 /nfs/dbraw/zinc/70/15/93/528701593.db2.gz QWOILVHYFWLAOJ-HIFRSBDPSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000513070076 528701959 /nfs/dbraw/zinc/70/19/59/528701959.db2.gz QWOILVHYFWLAOJ-UKRRQHHQSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000513070077 528702647 /nfs/dbraw/zinc/70/26/47/528702647.db2.gz QWOILVHYFWLAOJ-ZFWWWQNUSA-N 1 0 247.382 3.754 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000513070891 528156053 /nfs/dbraw/zinc/15/60/53/528156053.db2.gz UTQNGLMYBXPYRT-BMFZPTHFSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000513070893 528155711 /nfs/dbraw/zinc/15/57/11/528155711.db2.gz UTQNGLMYBXPYRT-FVQBIDKESA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000513070894 528155698 /nfs/dbraw/zinc/15/56/98/528155698.db2.gz UTQNGLMYBXPYRT-IMJJTQAJSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000513070896 528156083 /nfs/dbraw/zinc/15/60/83/528156083.db2.gz UTQNGLMYBXPYRT-NUEKZKHPSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](Nc2ccccn2)C1 ZINC000513071623 229386603 /nfs/dbraw/zinc/38/66/03/229386603.db2.gz WRSMLWKNCKUWOR-HDJSIYSDSA-N 1 0 238.334 3.748 20 0 BHADRO Cc1cc2cc(C[NH2+]CC(C)(C)C)ccc2[nH]1 ZINC000513077386 534090999 /nfs/dbraw/zinc/09/09/99/534090999.db2.gz SYYKYXCXHKLENO-UHFFFAOYSA-N 1 0 230.355 3.612 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000513082941 534263573 /nfs/dbraw/zinc/26/35/73/534263573.db2.gz LPPWTZQJORMZPD-HBIQZDMRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000513082942 229386969 /nfs/dbraw/zinc/38/69/69/229386969.db2.gz LPPWTZQJORMZPD-WNYYMSAVSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000513082943 533723400 /nfs/dbraw/zinc/72/34/00/533723400.db2.gz LPPWTZQJORMZPD-XKGSQUFQSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000513082944 534201414 /nfs/dbraw/zinc/20/14/14/534201414.db2.gz LPPWTZQJORMZPD-YYJSSNLHSA-N 1 0 249.320 3.743 20 0 BHADRO CCC[C@H](C)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000513083604 528032635 /nfs/dbraw/zinc/03/26/35/528032635.db2.gz PQELPJRQCAWUDF-JTQLQIEISA-N 1 0 238.375 3.552 20 0 BHADRO CCC[C@@H](C)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000513083605 528878100 /nfs/dbraw/zinc/87/81/00/528878100.db2.gz PQELPJRQCAWUDF-SNVBAGLBSA-N 1 0 238.375 3.552 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000513085097 534201534 /nfs/dbraw/zinc/20/15/34/534201534.db2.gz ZGZKEHYDDAEKQO-DOMZBBRYSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000513085098 534263393 /nfs/dbraw/zinc/26/33/93/534263393.db2.gz ZGZKEHYDDAEKQO-IUODEOHRSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000513085099 229388683 /nfs/dbraw/zinc/38/86/83/229388683.db2.gz ZGZKEHYDDAEKQO-SWLSCSKDSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000513085100 533724381 /nfs/dbraw/zinc/72/43/81/533724381.db2.gz ZGZKEHYDDAEKQO-WFASDCNBSA-N 1 0 241.334 3.835 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000513095735 534201217 /nfs/dbraw/zinc/20/12/17/534201217.db2.gz QFDIJPCQFXZXOX-DZUCGIPZSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000513095736 534201775 /nfs/dbraw/zinc/20/17/75/534201775.db2.gz QFDIJPCQFXZXOX-IWCQGFGOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000513095737 534201781 /nfs/dbraw/zinc/20/17/81/534201781.db2.gz QFDIJPCQFXZXOX-SIXLDLHFSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000513095738 534201901 /nfs/dbraw/zinc/20/19/01/534201901.db2.gz QFDIJPCQFXZXOX-XBVQOTNRSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000513101457 528155457 /nfs/dbraw/zinc/15/54/57/528155457.db2.gz RCWHWWSNIBSSII-BBRMVZONSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000513101458 528156446 /nfs/dbraw/zinc/15/64/46/528156446.db2.gz RCWHWWSNIBSSII-CJNGLKHVSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000513101459 384567593 /nfs/dbraw/zinc/56/75/93/384567593.db2.gz RCWHWWSNIBSSII-CZUORRHYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000513101460 384567217 /nfs/dbraw/zinc/56/72/17/384567217.db2.gz RCWHWWSNIBSSII-XJKSGUPXSA-N 1 0 247.382 3.610 20 0 BHADRO CCC1(C)CC[NH+](Cc2cccs2)CC1 ZINC000513101840 529022766 /nfs/dbraw/zinc/02/27/66/529022766.db2.gz UPHVRZWWIBMUQO-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000513101889 534201933 /nfs/dbraw/zinc/20/19/33/534201933.db2.gz VBRPVJWDZJCRIZ-BVUBDWEXSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000513101892 534201516 /nfs/dbraw/zinc/20/15/16/534201516.db2.gz VBRPVJWDZJCRIZ-MIGQKNRLSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000513101894 534201173 /nfs/dbraw/zinc/20/11/73/534201173.db2.gz VBRPVJWDZJCRIZ-OEAJRASXSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000513101913 534201856 /nfs/dbraw/zinc/20/18/56/534201856.db2.gz VBRPVJWDZJCRIZ-OJLVUWQFSA-N 1 0 229.367 3.711 20 0 BHADRO C[N@H+](CCC1CCCCC1)Cc1ccco1 ZINC000513107116 529877675 /nfs/dbraw/zinc/87/76/75/529877675.db2.gz TXSPTAMMIZWZED-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CC[C@H]3C)oc2cc1C ZINC000513112152 534092724 /nfs/dbraw/zinc/09/27/24/534092724.db2.gz UEUOWBDWUYVJMZ-BMIGLBTASA-N 1 0 243.350 3.938 20 0 BHADRO Cc1cc2cc(C[NH2+][C@H]3CC[C@@H]3C)oc2cc1C ZINC000513112153 534093112 /nfs/dbraw/zinc/09/31/12/534093112.db2.gz UEUOWBDWUYVJMZ-BONVTDFDSA-N 1 0 243.350 3.938 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]3C)oc2cc1C ZINC000513112154 384574570 /nfs/dbraw/zinc/57/45/70/384574570.db2.gz UEUOWBDWUYVJMZ-MEBBXXQBSA-N 1 0 243.350 3.938 20 0 BHADRO Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]3C)oc2cc1C ZINC000513112155 534092989 /nfs/dbraw/zinc/09/29/89/534092989.db2.gz UEUOWBDWUYVJMZ-ZUZCIYMTSA-N 1 0 243.350 3.938 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@H]3CC[C@H]3C)cc2c1C ZINC000513117724 534361860 /nfs/dbraw/zinc/36/18/60/534361860.db2.gz VDAHWBKUXAYPHD-ABAIWWIYSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@H]3C)cc2c1C ZINC000513117726 534359885 /nfs/dbraw/zinc/35/98/85/534359885.db2.gz VDAHWBKUXAYPHD-IAQYHMDHSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]3C)cc2c1C ZINC000513117728 534360513 /nfs/dbraw/zinc/36/05/13/534360513.db2.gz VDAHWBKUXAYPHD-NHYWBVRUSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]3C)cc2c1C ZINC000513117730 534358917 /nfs/dbraw/zinc/35/89/17/534358917.db2.gz VDAHWBKUXAYPHD-XHDPSFHLSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1cc2cc(C[NH2+]C3CCCCC3)ccc2[nH]1 ZINC000513118241 534090721 /nfs/dbraw/zinc/09/07/21/534090721.db2.gz YPCAXAYPCPXEFN-UHFFFAOYSA-N 1 0 242.366 3.899 20 0 BHADRO CC[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000513150726 527863603 /nfs/dbraw/zinc/86/36/03/527863603.db2.gz SDCDLFLLUSVJMI-CABCVRRESA-N 1 0 217.356 3.665 20 0 BHADRO CC[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000513150727 527863447 /nfs/dbraw/zinc/86/34/47/527863447.db2.gz SDCDLFLLUSVJMI-GJZGRUSLSA-N 1 0 217.356 3.665 20 0 BHADRO CC[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000513150728 527862865 /nfs/dbraw/zinc/86/28/65/527862865.db2.gz SDCDLFLLUSVJMI-HUUCEWRRSA-N 1 0 217.356 3.665 20 0 BHADRO CC[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000513150729 527862725 /nfs/dbraw/zinc/86/27/25/527862725.db2.gz SDCDLFLLUSVJMI-LSDHHAIUSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1cc(C)cc(CN2CCC[C@@H]2C(F)F)c1 ZINC000513182879 229392626 /nfs/dbraw/zinc/39/26/26/229392626.db2.gz HPXDBYZTFCIFRZ-CYBMUJFWSA-N 1 0 239.309 3.533 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc2n[nH]cc2c1 ZINC000513184008 533373227 /nfs/dbraw/zinc/37/32/27/533373227.db2.gz OTFSWHFQWRILFL-LLVKDONJSA-N 1 0 245.370 3.650 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc2n[nH]cc2c1 ZINC000513184009 533840662 /nfs/dbraw/zinc/84/06/62/533840662.db2.gz OTFSWHFQWRILFL-NSHDSACASA-N 1 0 245.370 3.650 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000513184374 528502807 /nfs/dbraw/zinc/50/28/07/528502807.db2.gz RNOSZGUGZJBOIX-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO FC(F)[C@H]1CCCN1CCCC1CCCC1 ZINC000513187489 229393668 /nfs/dbraw/zinc/39/36/68/229393668.db2.gz BNPILVQJWUIKGG-GFCCVEGCSA-N 1 0 231.330 3.686 20 0 BHADRO CC(C)C1CCC([N@H+](C)CC2CC2)CC1 ZINC000513192344 527640370 /nfs/dbraw/zinc/64/03/70/527640370.db2.gz IVCGHKHUCOLDHR-UHFFFAOYSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)[N@H+](CCc1ccccc1)C1CCCC1 ZINC000513192942 528913308 /nfs/dbraw/zinc/91/33/08/528913308.db2.gz VDPYUSCRODKSPH-UHFFFAOYSA-N 1 0 231.383 3.882 20 0 BHADRO COCC[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000513197202 229395104 /nfs/dbraw/zinc/39/51/04/229395104.db2.gz USKXYYPDTYIYSN-AWEZNQCLSA-N 1 0 247.382 3.639 20 0 BHADRO COCC[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000513197204 229395446 /nfs/dbraw/zinc/39/54/46/229395446.db2.gz USKXYYPDTYIYSN-CQSZACIVSA-N 1 0 247.382 3.639 20 0 BHADRO FC(F)[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000513214839 229396930 /nfs/dbraw/zinc/39/69/30/229396930.db2.gz JPSJDCOXBOGRLM-GFCCVEGCSA-N 1 0 231.330 3.686 20 0 BHADRO C[N@H+](CCC(F)(F)F)C1CCC(C)(C)CC1 ZINC000513215695 529874255 /nfs/dbraw/zinc/87/42/55/529874255.db2.gz PVVNLQFUYYTGLM-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO C[N@H+](CCc1ccc(Cl)cc1)C1CCCC1 ZINC000513215829 529932896 /nfs/dbraw/zinc/93/28/96/529932896.db2.gz RQMJSQJDNZRXRE-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO CCC1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC000513216955 527841464 /nfs/dbraw/zinc/84/14/64/527841464.db2.gz CKLOPMJGIMPWLT-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513217823 527742590 /nfs/dbraw/zinc/74/25/90/527742590.db2.gz JDSKZWNBUXKFMY-JKSUJKDBSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513229391 487677486 /nfs/dbraw/zinc/67/74/86/487677486.db2.gz XTRZEXAVILRKKY-AEGPPILISA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513229392 487677418 /nfs/dbraw/zinc/67/74/18/487677418.db2.gz XTRZEXAVILRKKY-QEJZJMRPSA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513229393 487677612 /nfs/dbraw/zinc/67/76/12/487677612.db2.gz XTRZEXAVILRKKY-SNPRPXQTSA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](F)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513229394 487677597 /nfs/dbraw/zinc/67/75/97/487677597.db2.gz XTRZEXAVILRKKY-VHDGCEQUSA-N 1 0 235.346 3.818 20 0 BHADRO CCSCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513230214 529180330 /nfs/dbraw/zinc/18/03/30/529180330.db2.gz ADQHZHJDOHUXIH-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CCSCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513230219 529179890 /nfs/dbraw/zinc/17/98/90/529179890.db2.gz ADQHZHJDOHUXIH-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CCSCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513230221 529179864 /nfs/dbraw/zinc/17/98/64/529179864.db2.gz ADQHZHJDOHUXIH-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CCSCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513230222 529180145 /nfs/dbraw/zinc/18/01/45/529180145.db2.gz ADQHZHJDOHUXIH-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513232465 487680897 /nfs/dbraw/zinc/68/08/97/487680897.db2.gz OGSLSMSAKDXTCM-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513232466 487680813 /nfs/dbraw/zinc/68/08/13/487680813.db2.gz OGSLSMSAKDXTCM-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513232467 487680741 /nfs/dbraw/zinc/68/07/41/487680741.db2.gz OGSLSMSAKDXTCM-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513232468 487680681 /nfs/dbraw/zinc/68/06/81/487680681.db2.gz OGSLSMSAKDXTCM-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCC2CC2)C1 ZINC000513236515 487681072 /nfs/dbraw/zinc/68/10/72/487681072.db2.gz MGNMVQCHYOXSDQ-BBRMVZONSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCC2CC2)C1 ZINC000513236516 487680576 /nfs/dbraw/zinc/68/05/76/487680576.db2.gz MGNMVQCHYOXSDQ-CJNGLKHVSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCC2CC2)C1 ZINC000513236518 487680718 /nfs/dbraw/zinc/68/07/18/487680718.db2.gz MGNMVQCHYOXSDQ-CZUORRHYSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCC2CC2)C1 ZINC000513236520 487680971 /nfs/dbraw/zinc/68/09/71/487680971.db2.gz MGNMVQCHYOXSDQ-XJKSGUPXSA-N 1 0 229.367 3.870 20 0 BHADRO CSCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513242482 533565970 /nfs/dbraw/zinc/56/59/70/533565970.db2.gz RYVLISDUEYBWDD-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CSCCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513242483 533566120 /nfs/dbraw/zinc/56/61/20/533566120.db2.gz RYVLISDUEYBWDD-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CSCCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513242484 533566337 /nfs/dbraw/zinc/56/63/37/533566337.db2.gz RYVLISDUEYBWDD-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CSCCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513242485 533565829 /nfs/dbraw/zinc/56/58/29/533565829.db2.gz RYVLISDUEYBWDD-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CCC2)cc1 ZINC000513242636 229398070 /nfs/dbraw/zinc/39/80/70/229398070.db2.gz VSFHDHYSQPPHBG-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513246993 487682975 /nfs/dbraw/zinc/68/29/75/487682975.db2.gz HUEHJGLZDZHGHJ-DZGCQCFKSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513246994 487682602 /nfs/dbraw/zinc/68/26/02/487682602.db2.gz HUEHJGLZDZHGHJ-HIFRSBDPSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513246995 487683255 /nfs/dbraw/zinc/68/32/55/487683255.db2.gz HUEHJGLZDZHGHJ-UKRRQHHQSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513246996 487682810 /nfs/dbraw/zinc/68/28/10/487682810.db2.gz HUEHJGLZDZHGHJ-ZFWWWQNUSA-N 1 0 217.356 3.726 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513252605 488049490 /nfs/dbraw/zinc/04/94/90/488049490.db2.gz MFOWAPMXHGTOBJ-IPYPFGDCSA-N 1 0 235.346 3.818 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513252606 487683724 /nfs/dbraw/zinc/68/37/24/487683724.db2.gz MFOWAPMXHGTOBJ-KCQAQPDRSA-N 1 0 235.346 3.818 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513252607 487683932 /nfs/dbraw/zinc/68/39/32/487683932.db2.gz MFOWAPMXHGTOBJ-VNHYZAJKSA-N 1 0 235.346 3.818 20 0 BHADRO C[C@H](F)CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513252608 487684350 /nfs/dbraw/zinc/68/43/50/487684350.db2.gz MFOWAPMXHGTOBJ-YDHLFZDLSA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@@H](F)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513259458 529553363 /nfs/dbraw/zinc/55/33/63/529553363.db2.gz BMEOALBEVLWHGT-QLFBSQMISA-N 1 0 235.346 3.660 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+]CCC2CC2)cc1 ZINC000513271664 229399443 /nfs/dbraw/zinc/39/94/43/229399443.db2.gz MLXZYFLMHJNQFM-JKSUJKDBSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCCF)C1 ZINC000513272044 487686204 /nfs/dbraw/zinc/68/62/04/487686204.db2.gz PMBXIXXVPIVOHE-DZGCQCFKSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCCF)C1 ZINC000513272045 487685832 /nfs/dbraw/zinc/68/58/32/487685832.db2.gz PMBXIXXVPIVOHE-HIFRSBDPSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCCF)C1 ZINC000513272046 487685957 /nfs/dbraw/zinc/68/59/57/487685957.db2.gz PMBXIXXVPIVOHE-UKRRQHHQSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCCF)C1 ZINC000513272047 487686100 /nfs/dbraw/zinc/68/61/00/487686100.db2.gz PMBXIXXVPIVOHE-ZFWWWQNUSA-N 1 0 235.346 3.819 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000513319429 388423236 /nfs/dbraw/zinc/42/32/36/388423236.db2.gz RZZKVRMFWWHSHK-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000513326119 388423602 /nfs/dbraw/zinc/42/36/02/388423602.db2.gz YMNDKPVTKKKNHZ-KBPBESRZSA-N 1 0 249.398 3.838 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000513326120 388423599 /nfs/dbraw/zinc/42/35/99/388423599.db2.gz YMNDKPVTKKKNHZ-KGLIPLIRSA-N 1 0 249.398 3.838 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000513326121 388423465 /nfs/dbraw/zinc/42/34/65/388423465.db2.gz YMNDKPVTKKKNHZ-UONOGXRCSA-N 1 0 249.398 3.838 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000513326122 388423615 /nfs/dbraw/zinc/42/36/15/388423615.db2.gz YMNDKPVTKKKNHZ-ZIAGYGMSSA-N 1 0 249.398 3.838 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCCC1(C)C ZINC000513330583 388423090 /nfs/dbraw/zinc/42/30/90/388423090.db2.gz MDVKTLSRCKPXOW-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000513330584 388422976 /nfs/dbraw/zinc/42/29/76/388422976.db2.gz MDVKTLSRCKPXOW-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000513333397 527427505 /nfs/dbraw/zinc/42/75/05/527427505.db2.gz KKFZEERKCRWAMU-LLVKDONJSA-N 1 0 239.309 3.924 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000513333398 388423537 /nfs/dbraw/zinc/42/35/37/388423537.db2.gz KKFZEERKCRWAMU-NSHDSACASA-N 1 0 239.309 3.924 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000513387050 388426604 /nfs/dbraw/zinc/42/66/04/388426604.db2.gz UULXXSJTSHQBJF-ZDUSSCGKSA-N 1 0 237.774 3.757 20 0 BHADRO CCc1ccc([C@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000513417791 388428179 /nfs/dbraw/zinc/42/81/79/388428179.db2.gz ZTLCKPMSBLGPOQ-INIZCTEOSA-N 1 0 249.373 3.788 20 0 BHADRO CCc1ccc([C@@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000513417792 388427814 /nfs/dbraw/zinc/42/78/14/388427814.db2.gz ZTLCKPMSBLGPOQ-MRXNPFEDSA-N 1 0 249.373 3.788 20 0 BHADRO Cc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)s1 ZINC000513421489 388427430 /nfs/dbraw/zinc/42/74/30/388427430.db2.gz WPNSKXDTRJJVMG-CYBMUJFWSA-N 1 0 235.396 3.845 20 0 BHADRO Cc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)s1 ZINC000513421495 388427731 /nfs/dbraw/zinc/42/77/31/388427731.db2.gz WPNSKXDTRJJVMG-ZDUSSCGKSA-N 1 0 235.396 3.845 20 0 BHADRO Cc1ccc(C[N@H+](CC2CC2)C2CC2)cc1C ZINC000513437391 388429087 /nfs/dbraw/zinc/42/90/87/388429087.db2.gz CUUMUNGLZZSNEE-UHFFFAOYSA-N 1 0 229.367 3.678 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1occc1C)C1CC1 ZINC000513453978 529238054 /nfs/dbraw/zinc/23/80/54/529238054.db2.gz BSQPTKOGKFDNOB-AAEUAGOBSA-N 1 0 235.371 3.987 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1occc1C)C1CC1 ZINC000513453979 529391521 /nfs/dbraw/zinc/39/15/21/529391521.db2.gz BSQPTKOGKFDNOB-DGCLKSJQSA-N 1 0 235.371 3.987 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1occc1C)C1CC1 ZINC000513453981 529203046 /nfs/dbraw/zinc/20/30/46/529203046.db2.gz BSQPTKOGKFDNOB-WCQYABFASA-N 1 0 235.371 3.987 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1occc1C)C1CC1 ZINC000513453983 529411660 /nfs/dbraw/zinc/41/16/60/529411660.db2.gz BSQPTKOGKFDNOB-YPMHNXCESA-N 1 0 235.371 3.987 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000513454344 388428516 /nfs/dbraw/zinc/42/85/16/388428516.db2.gz FBJIFBRTFNLDSK-CHWSQXEVSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000513454345 388429067 /nfs/dbraw/zinc/42/90/67/388429067.db2.gz FBJIFBRTFNLDSK-OLZOCXBDSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000513454346 388428820 /nfs/dbraw/zinc/42/88/20/388428820.db2.gz FBJIFBRTFNLDSK-QWHCGFSZSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000513454347 388429091 /nfs/dbraw/zinc/42/90/91/388429091.db2.gz FBJIFBRTFNLDSK-STQMWFEESA-N 1 0 247.382 3.791 20 0 BHADRO Cc1ccccc1C1CC[NH+](CC2CC2)CC1 ZINC000513492245 388430735 /nfs/dbraw/zinc/43/07/35/388430735.db2.gz YUWDAIYMEGRCTN-UHFFFAOYSA-N 1 0 229.367 3.584 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CCC2=CCCC2)cc1 ZINC000513508093 229414709 /nfs/dbraw/zinc/41/47/09/229414709.db2.gz XFJSUBWEYXBPOC-UTCJRWHESA-N 1 0 245.341 3.929 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CCC2=CCCC2)cc1 ZINC000513508096 388430433 /nfs/dbraw/zinc/43/04/33/388430433.db2.gz XFJSUBWEYXBPOC-ZZXKWVIFSA-N 1 0 245.341 3.929 20 0 BHADRO Cc1cccc(C[NH+]2Cc3ccccc3C2)c1C ZINC000513637078 388436123 /nfs/dbraw/zinc/43/61/23/388436123.db2.gz DZDZQNKIDBOERR-UHFFFAOYSA-N 1 0 237.346 3.819 20 0 BHADRO c1ccc2c(c1)C[NH+](CC1CCCCC1)C2 ZINC000513641441 388437420 /nfs/dbraw/zinc/43/74/20/388437420.db2.gz ALUGFQDDBRBIQG-UHFFFAOYSA-N 1 0 215.340 3.583 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH+]2Cc3ccccc3C2)cc1 ZINC000513643060 388437182 /nfs/dbraw/zinc/43/71/82/388437182.db2.gz QUAZFUFFKGLJRM-MSOLQXFVSA-N 1 0 249.357 3.806 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH+]2Cc3ccccc3C2)cc1 ZINC000513643062 388436944 /nfs/dbraw/zinc/43/69/44/388436944.db2.gz QUAZFUFFKGLJRM-QZTJIDSGSA-N 1 0 249.357 3.806 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH+]2Cc3ccccc3C2)cc1 ZINC000513643064 388437198 /nfs/dbraw/zinc/43/71/98/388437198.db2.gz QUAZFUFFKGLJRM-ZWKOTPCHSA-N 1 0 249.357 3.806 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000513654150 487739343 /nfs/dbraw/zinc/73/93/43/487739343.db2.gz HJLVTWHQGYVHAA-CVEARBPZSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000513654164 487738602 /nfs/dbraw/zinc/73/86/02/487738602.db2.gz HJLVTWHQGYVHAA-HOTGVXAUSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000513654166 487739310 /nfs/dbraw/zinc/73/93/10/487739310.db2.gz HJLVTWHQGYVHAA-HZPDHXFCSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000513654167 487738790 /nfs/dbraw/zinc/73/87/90/487738790.db2.gz HJLVTWHQGYVHAA-JKSUJKDBSA-N 1 0 231.383 3.562 20 0 BHADRO CCCCC1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000513655123 487738507 /nfs/dbraw/zinc/73/85/07/487738507.db2.gz LGZBETFMKNZKAA-HSBZDZAISA-N 1 0 249.402 3.809 20 0 BHADRO CCCCC1CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000513655124 487738698 /nfs/dbraw/zinc/73/86/98/487738698.db2.gz LGZBETFMKNZKAA-IYXRBSQSSA-N 1 0 249.402 3.809 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000513656817 487738737 /nfs/dbraw/zinc/73/87/37/487738737.db2.gz XTEUZPAAZRRBKL-IKGGRYGDSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000513656818 487738732 /nfs/dbraw/zinc/73/87/32/487738732.db2.gz XTEUZPAAZRRBKL-IXDOHACOSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000513656819 487738583 /nfs/dbraw/zinc/73/85/83/487738583.db2.gz XTEUZPAAZRRBKL-ULQDDVLXSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000513656820 487738536 /nfs/dbraw/zinc/73/85/36/487738536.db2.gz XTEUZPAAZRRBKL-YESZJQIVSA-N 1 0 243.394 3.568 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000513661801 229428331 /nfs/dbraw/zinc/42/83/31/229428331.db2.gz QRNZWIVHNGOGKT-ILXRZTDVSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)c1 ZINC000513661802 229429222 /nfs/dbraw/zinc/42/92/22/229429222.db2.gz QRNZWIVHNGOGKT-KKUMJFAQSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000513661803 388438780 /nfs/dbraw/zinc/43/87/80/388438780.db2.gz QRNZWIVHNGOGKT-QLFBSQMISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c1 ZINC000513661804 388438782 /nfs/dbraw/zinc/43/87/82/388438782.db2.gz QRNZWIVHNGOGKT-SOUVJXGZSA-N 1 0 246.398 3.867 20 0 BHADRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C(C)C)ccc1C ZINC000513667877 487739619 /nfs/dbraw/zinc/73/96/19/487739619.db2.gz USOIBBRCNJMCJV-CABCVRRESA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+][C@H]2CC[C@H]2C(C)C)ccc1C ZINC000513667879 487740088 /nfs/dbraw/zinc/74/00/88/487740088.db2.gz USOIBBRCNJMCJV-GJZGRUSLSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)ccc1C ZINC000513667880 487739698 /nfs/dbraw/zinc/73/96/98/487739698.db2.gz USOIBBRCNJMCJV-HUUCEWRRSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C(C)C)ccc1C ZINC000513667882 487740008 /nfs/dbraw/zinc/74/00/08/487740008.db2.gz USOIBBRCNJMCJV-LSDHHAIUSA-N 1 0 247.382 3.528 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccs1 ZINC000513671808 388439525 /nfs/dbraw/zinc/43/95/25/388439525.db2.gz GAYISIUKWWONOH-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccs1 ZINC000513671809 388439598 /nfs/dbraw/zinc/43/95/98/388439598.db2.gz GAYISIUKWWONOH-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000513672283 487740890 /nfs/dbraw/zinc/74/08/90/487740890.db2.gz IYCYSSLTBXKFAC-BACDZXNISA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000513672284 487740984 /nfs/dbraw/zinc/74/09/84/487740984.db2.gz IYCYSSLTBXKFAC-BHUNQDJPSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000513672285 487740978 /nfs/dbraw/zinc/74/09/78/487740978.db2.gz IYCYSSLTBXKFAC-GQGLESIBSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000513672286 487740744 /nfs/dbraw/zinc/74/07/44/487740744.db2.gz IYCYSSLTBXKFAC-SJJHQCBESA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000513679255 487741198 /nfs/dbraw/zinc/74/11/98/487741198.db2.gz VXPCZMROCWLQEP-BPUTZDHNSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000513679256 487740575 /nfs/dbraw/zinc/74/05/75/487740575.db2.gz VXPCZMROCWLQEP-CWRNSKLLSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000513679257 487740675 /nfs/dbraw/zinc/74/06/75/487740675.db2.gz VXPCZMROCWLQEP-IMJJTQAJSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000513679258 487740727 /nfs/dbraw/zinc/74/07/27/487740727.db2.gz VXPCZMROCWLQEP-NUEKZKHPSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513683090 487740692 /nfs/dbraw/zinc/74/06/92/487740692.db2.gz GJCAOEWWOYLWTA-DAXOMENPSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513683091 487740654 /nfs/dbraw/zinc/74/06/54/487740654.db2.gz GJCAOEWWOYLWTA-KCXAZCMYSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513683092 487741099 /nfs/dbraw/zinc/74/10/99/487741099.db2.gz GJCAOEWWOYLWTA-UHOFOFEASA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513683093 487741068 /nfs/dbraw/zinc/74/10/68/487741068.db2.gz GJCAOEWWOYLWTA-WQVCFCJDSA-N 1 0 249.373 3.953 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000513690572 487741108 /nfs/dbraw/zinc/74/11/08/487741108.db2.gz KTHGKZZBRGIHRH-CABCVRRESA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000513690573 487741037 /nfs/dbraw/zinc/74/10/37/487741037.db2.gz KTHGKZZBRGIHRH-GJZGRUSLSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000513690574 487923246 /nfs/dbraw/zinc/92/32/46/487923246.db2.gz KTHGKZZBRGIHRH-HUUCEWRRSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000513690575 487923127 /nfs/dbraw/zinc/92/31/27/487923127.db2.gz KTHGKZZBRGIHRH-LSDHHAIUSA-N 1 0 247.382 3.610 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1F)C1CCCC1 ZINC000513691170 388440193 /nfs/dbraw/zinc/44/01/93/388440193.db2.gz RXRGQXQFSXBWNE-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC(C)(C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513712455 527689245 /nfs/dbraw/zinc/68/92/45/527689245.db2.gz CSAINHRTMDXFES-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)(C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513712456 388442882 /nfs/dbraw/zinc/44/28/82/388442882.db2.gz CSAINHRTMDXFES-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO c1csc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000513716656 388442812 /nfs/dbraw/zinc/44/28/12/388442812.db2.gz GBPFWTLLFZCMCZ-UHFFFAOYSA-N 1 0 235.396 3.904 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000513716698 487743008 /nfs/dbraw/zinc/74/30/08/487743008.db2.gz GQMINBNKBQKYAQ-CABCVRRESA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000513716699 487743379 /nfs/dbraw/zinc/74/33/79/487743379.db2.gz GQMINBNKBQKYAQ-GJZGRUSLSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000513716700 487742910 /nfs/dbraw/zinc/74/29/10/487742910.db2.gz GQMINBNKBQKYAQ-HUUCEWRRSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000513716701 487743305 /nfs/dbraw/zinc/74/33/05/487743305.db2.gz GQMINBNKBQKYAQ-LSDHHAIUSA-N 1 0 247.382 3.528 20 0 BHADRO CC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000513717632 388442775 /nfs/dbraw/zinc/44/27/75/388442775.db2.gz PXYGTDMBLYXQKP-JTQLQIEISA-N 1 0 223.747 3.885 20 0 BHADRO CC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000513717633 388442798 /nfs/dbraw/zinc/44/27/98/388442798.db2.gz PXYGTDMBLYXQKP-SNVBAGLBSA-N 1 0 223.747 3.885 20 0 BHADRO c1csc(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000513729902 388444166 /nfs/dbraw/zinc/44/41/66/388444166.db2.gz SMNADXFMEIWXLW-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000513755957 487746316 /nfs/dbraw/zinc/74/63/16/487746316.db2.gz VJFTXEJWSHDTLO-CVEARBPZSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000513755958 487746442 /nfs/dbraw/zinc/74/64/42/487746442.db2.gz VJFTXEJWSHDTLO-HOTGVXAUSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000513755959 487746311 /nfs/dbraw/zinc/74/63/11/487746311.db2.gz VJFTXEJWSHDTLO-HZPDHXFCSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000513755960 487746484 /nfs/dbraw/zinc/74/64/84/487746484.db2.gz VJFTXEJWSHDTLO-JKSUJKDBSA-N 1 0 231.383 3.562 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000513756476 388447884 /nfs/dbraw/zinc/44/78/84/388447884.db2.gz YEDDKDKSMSFBHN-LLVKDONJSA-N 1 0 241.762 3.944 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000513756480 388447610 /nfs/dbraw/zinc/44/76/10/388447610.db2.gz YEDDKDKSMSFBHN-NSHDSACASA-N 1 0 241.762 3.944 20 0 BHADRO CC(C)CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513760773 388447912 /nfs/dbraw/zinc/44/79/12/388447912.db2.gz KRNLYBUBJVZGNC-AWEZNQCLSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513760774 388447991 /nfs/dbraw/zinc/44/79/91/388447991.db2.gz KRNLYBUBJVZGNC-CQSZACIVSA-N 1 0 249.402 3.667 20 0 BHADRO C[N@H+](CCSc1ccccc1)CCC1CC1 ZINC000513804056 388450509 /nfs/dbraw/zinc/45/05/09/388450509.db2.gz QUKYHFDNYMQPKM-UHFFFAOYSA-N 1 0 235.396 3.511 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000513804466 388450741 /nfs/dbraw/zinc/45/07/41/388450741.db2.gz ZGHJGAMURYKLHY-CHWSQXEVSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000513804467 388450431 /nfs/dbraw/zinc/45/04/31/388450431.db2.gz ZGHJGAMURYKLHY-OLZOCXBDSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1CCSc1ccccc1 ZINC000513804468 533806369 /nfs/dbraw/zinc/80/63/69/533806369.db2.gz ZGHJGAMURYKLHY-QWHCGFSZSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](CCSc2ccccc2)C1 ZINC000513804469 388450734 /nfs/dbraw/zinc/45/07/34/388450734.db2.gz ZGHJGAMURYKLHY-STQMWFEESA-N 1 0 235.396 3.509 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513817100 388451390 /nfs/dbraw/zinc/45/13/90/388451390.db2.gz AVGOGCFFMRJVRI-AWEZNQCLSA-N 1 0 217.356 3.584 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000513817101 388451682 /nfs/dbraw/zinc/45/16/82/388451682.db2.gz AVGOGCFFMRJVRI-CQSZACIVSA-N 1 0 217.356 3.584 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513822042 388452323 /nfs/dbraw/zinc/45/23/23/388452323.db2.gz VMYVRMKZCIFNAV-INIZCTEOSA-N 1 0 243.394 3.975 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513822043 388452283 /nfs/dbraw/zinc/45/22/83/388452283.db2.gz VMYVRMKZCIFNAV-MRXNPFEDSA-N 1 0 243.394 3.975 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000513879693 388458209 /nfs/dbraw/zinc/45/82/09/388458209.db2.gz ISWVNBUAPQAFBN-GFCCVEGCSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)C[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000513879694 388457996 /nfs/dbraw/zinc/45/79/96/388457996.db2.gz ISWVNBUAPQAFBN-LBPRGKRZSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000513879718 388458097 /nfs/dbraw/zinc/45/80/97/388458097.db2.gz JGUHTMAPIGEREL-LLVKDONJSA-N 1 0 231.330 3.685 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000513879719 388458308 /nfs/dbraw/zinc/45/83/08/388458308.db2.gz JGUHTMAPIGEREL-NSHDSACASA-N 1 0 231.330 3.685 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000513880454 388458064 /nfs/dbraw/zinc/45/80/64/388458064.db2.gz XYEHNJUGHQMMPI-AWEZNQCLSA-N 1 0 248.414 3.619 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000513880455 388457944 /nfs/dbraw/zinc/45/79/44/388457944.db2.gz XYEHNJUGHQMMPI-CQSZACIVSA-N 1 0 248.414 3.619 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000513886200 388459473 /nfs/dbraw/zinc/45/94/73/388459473.db2.gz GDEAGLHDTSCNAX-AWEZNQCLSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000513886201 388459808 /nfs/dbraw/zinc/45/98/08/388459808.db2.gz GDEAGLHDTSCNAX-CQSZACIVSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000513888900 388460773 /nfs/dbraw/zinc/46/07/73/388460773.db2.gz JHCSMGFUNQPHMO-CHWSQXEVSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000513888901 388460654 /nfs/dbraw/zinc/46/06/54/388460654.db2.gz JHCSMGFUNQPHMO-OLZOCXBDSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000513888902 388460860 /nfs/dbraw/zinc/46/08/60/388460860.db2.gz JHCSMGFUNQPHMO-QWHCGFSZSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000513888903 388460606 /nfs/dbraw/zinc/46/06/06/388460606.db2.gz JHCSMGFUNQPHMO-STQMWFEESA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)CC1CCCCC1 ZINC000513889678 388460681 /nfs/dbraw/zinc/46/06/81/388460681.db2.gz XVLHLGONSAXXGX-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CCC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513890371 527869774 /nfs/dbraw/zinc/86/97/74/527869774.db2.gz LZHJLTYASLOUEX-CYBMUJFWSA-N 1 0 245.357 3.934 20 0 BHADRO CCC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513890372 388461299 /nfs/dbraw/zinc/46/12/99/388461299.db2.gz LZHJLTYASLOUEX-ZDUSSCGKSA-N 1 0 245.357 3.934 20 0 BHADRO CC[N@H+](C[C@@H]1CCCC(F)(F)C1)C(C)C ZINC000513892309 388461149 /nfs/dbraw/zinc/46/11/49/388461149.db2.gz WNYZBAKVDKSYBQ-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC[N@H+](C[C@H]1CCCC(F)(F)C1)C(C)C ZINC000513892310 388461592 /nfs/dbraw/zinc/46/15/92/388461592.db2.gz WNYZBAKVDKSYBQ-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513893820 388461649 /nfs/dbraw/zinc/46/16/49/388461649.db2.gz BAZSOPHSPNFRPY-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513893821 388461338 /nfs/dbraw/zinc/46/13/38/388461338.db2.gz BAZSOPHSPNFRPY-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513893822 388461715 /nfs/dbraw/zinc/46/17/15/388461715.db2.gz BAZSOPHSPNFRPY-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513893823 388461237 /nfs/dbraw/zinc/46/12/37/388461237.db2.gz BAZSOPHSPNFRPY-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO CCC1(C)CC[NH+](CCSC(C)C)CC1 ZINC000513894368 388462062 /nfs/dbraw/zinc/46/20/62/388462062.db2.gz LZAIEVFYLKAYNY-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513894441 388462037 /nfs/dbraw/zinc/46/20/37/388462037.db2.gz NKDZUYDRUHQPQO-NEPJUHHUSA-N 1 0 233.346 3.788 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513894442 388462558 /nfs/dbraw/zinc/46/25/58/388462558.db2.gz NKDZUYDRUHQPQO-NWDGAFQWSA-N 1 0 233.346 3.788 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513894443 388462538 /nfs/dbraw/zinc/46/25/38/388462538.db2.gz NKDZUYDRUHQPQO-RYUDHWBXSA-N 1 0 233.346 3.788 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513894444 388462090 /nfs/dbraw/zinc/46/20/90/388462090.db2.gz NKDZUYDRUHQPQO-VXGBXAGGSA-N 1 0 233.346 3.788 20 0 BHADRO CCC[N@H+](CC)Cc1c(Cl)cccc1OC ZINC000513896199 388462400 /nfs/dbraw/zinc/46/24/00/388462400.db2.gz TZYHQHHIBGZDMQ-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO C[N@H+](CC1CCCC1)C[C@@H]1CCCC(F)(F)C1 ZINC000513896450 388461976 /nfs/dbraw/zinc/46/19/76/388461976.db2.gz YHDOLWRVOAYGPR-CYBMUJFWSA-N 1 0 245.357 3.934 20 0 BHADRO C[N@H+](CC1CCCC1)C[C@H]1CCCC(F)(F)C1 ZINC000513896451 529864072 /nfs/dbraw/zinc/86/40/72/529864072.db2.gz YHDOLWRVOAYGPR-ZDUSSCGKSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000513896682 388463457 /nfs/dbraw/zinc/46/34/57/388463457.db2.gz CPEJSCLWMLAVNJ-CHWSQXEVSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000513896683 388463138 /nfs/dbraw/zinc/46/31/38/388463138.db2.gz CPEJSCLWMLAVNJ-OLZOCXBDSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000513896684 388462844 /nfs/dbraw/zinc/46/28/44/388462844.db2.gz CPEJSCLWMLAVNJ-QWHCGFSZSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000513896685 388463039 /nfs/dbraw/zinc/46/30/39/388463039.db2.gz CPEJSCLWMLAVNJ-STQMWFEESA-N 1 0 245.357 3.932 20 0 BHADRO CCC[N@H+](CC)C[C@@H]1CCCC(F)(F)C1 ZINC000513897640 388463072 /nfs/dbraw/zinc/46/30/72/388463072.db2.gz UPCSJGUOATZACU-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCC[N@H+](CC)C[C@H]1CCCC(F)(F)C1 ZINC000513897641 388462817 /nfs/dbraw/zinc/46/28/17/388462817.db2.gz UPCSJGUOATZACU-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCSC(C)C ZINC000513898822 388463048 /nfs/dbraw/zinc/46/30/48/388463048.db2.gz QZIZMYHTRMICTD-CYBMUJFWSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCSC(C)C ZINC000513898823 388463008 /nfs/dbraw/zinc/46/30/08/388463008.db2.gz QZIZMYHTRMICTD-ZDUSSCGKSA-N 1 0 229.433 3.639 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513900471 388463978 /nfs/dbraw/zinc/46/39/78/388463978.db2.gz YFOVOEXEXJIVQT-NEPJUHHUSA-N 1 0 233.346 3.932 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513900472 388463917 /nfs/dbraw/zinc/46/39/17/388463917.db2.gz YFOVOEXEXJIVQT-NWDGAFQWSA-N 1 0 233.346 3.932 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513900473 388463994 /nfs/dbraw/zinc/46/39/94/388463994.db2.gz YFOVOEXEXJIVQT-RYUDHWBXSA-N 1 0 233.346 3.932 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513900474 388464062 /nfs/dbraw/zinc/46/40/62/388464062.db2.gz YFOVOEXEXJIVQT-VXGBXAGGSA-N 1 0 233.346 3.932 20 0 BHADRO CC1(C)CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513904493 388464768 /nfs/dbraw/zinc/46/47/68/388464768.db2.gz WVDOVVMKCYZWMP-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CC1(C)CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513904494 388464800 /nfs/dbraw/zinc/46/48/00/388464800.db2.gz WVDOVVMKCYZWMP-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO C[N@H+](C[C@@H]1CCCC(F)(F)C1)CC(C)(C)C ZINC000513904671 388464670 /nfs/dbraw/zinc/46/46/70/388464670.db2.gz ZWLWGAITLDHWQS-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO C[N@H+](C[C@H]1CCCC(F)(F)C1)CC(C)(C)C ZINC000513904672 388464448 /nfs/dbraw/zinc/46/44/48/388464448.db2.gz ZWLWGAITLDHWQS-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO CCCCOCC[N@H+](C)CCC1CCCCC1 ZINC000513956020 388476741 /nfs/dbraw/zinc/47/67/41/388476741.db2.gz QUPIFSVRXCPXNS-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO CCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000513959211 388477498 /nfs/dbraw/zinc/47/74/98/388477498.db2.gz IBASRVZKXLIOCR-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO CCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000513959451 388477822 /nfs/dbraw/zinc/47/78/22/388477822.db2.gz MFLMWTIBCDIVSX-UHFFFAOYSA-N 1 0 235.371 3.544 20 0 BHADRO CCCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000513959911 388477283 /nfs/dbraw/zinc/47/72/83/388477283.db2.gz WEWARKMJOKUKPI-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000513959912 388477820 /nfs/dbraw/zinc/47/78/20/388477820.db2.gz WEWARKMJOKUKPI-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000513962093 388477554 /nfs/dbraw/zinc/47/75/54/388477554.db2.gz QTXIVEZEMJVZEG-CYBMUJFWSA-N 1 0 245.357 3.934 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@H]1CCCC(F)(F)C1 ZINC000513962094 388477425 /nfs/dbraw/zinc/47/74/25/388477425.db2.gz QTXIVEZEMJVZEG-ZDUSSCGKSA-N 1 0 245.357 3.934 20 0 BHADRO CCCC[N@H+](CC)C[C@@H]1CCCC(F)(F)C1 ZINC000513962469 388477839 /nfs/dbraw/zinc/47/78/39/388477839.db2.gz YIWJCGMBFRJMFN-GFCCVEGCSA-N 1 0 233.346 3.934 20 0 BHADRO CCCC[N@H+](CC)C[C@H]1CCCC(F)(F)C1 ZINC000513962470 388477747 /nfs/dbraw/zinc/47/77/47/388477747.db2.gz YIWJCGMBFRJMFN-LBPRGKRZSA-N 1 0 233.346 3.934 20 0 BHADRO CC(C)SCC[N@H+](C)C1CCCCCC1 ZINC000513965086 388477602 /nfs/dbraw/zinc/47/76/02/388477602.db2.gz TXGROPWDBVLYAL-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513965226 388478807 /nfs/dbraw/zinc/47/88/07/388478807.db2.gz VYKQQDKGPDBYFM-FRRDWIJNSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513965227 388478442 /nfs/dbraw/zinc/47/84/42/388478442.db2.gz VYKQQDKGPDBYFM-JHJVBQTASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513965228 388478956 /nfs/dbraw/zinc/47/89/56/388478956.db2.gz VYKQQDKGPDBYFM-UPJWGTAASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513965229 388478586 /nfs/dbraw/zinc/47/85/86/388478586.db2.gz VYKQQDKGPDBYFM-XQQFMLRXSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513965260 388478712 /nfs/dbraw/zinc/47/87/12/388478712.db2.gz WLHKFBZKVCOCJB-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513965261 388478959 /nfs/dbraw/zinc/47/89/59/388478959.db2.gz WLHKFBZKVCOCJB-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513965262 388478948 /nfs/dbraw/zinc/47/89/48/388478948.db2.gz WLHKFBZKVCOCJB-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513965263 388478962 /nfs/dbraw/zinc/47/89/62/388478962.db2.gz WLHKFBZKVCOCJB-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513965592 528251520 /nfs/dbraw/zinc/25/15/20/528251520.db2.gz BJOPDWVPTHEYKC-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513965593 388477755 /nfs/dbraw/zinc/47/77/55/388477755.db2.gz BJOPDWVPTHEYKC-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000513966084 388478787 /nfs/dbraw/zinc/47/87/87/388478787.db2.gz LFWCMYCNGJKGQW-NEPJUHHUSA-N 1 0 231.330 3.686 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000513966085 388478854 /nfs/dbraw/zinc/47/88/54/388478854.db2.gz LFWCMYCNGJKGQW-NWDGAFQWSA-N 1 0 231.330 3.686 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000513966086 388478821 /nfs/dbraw/zinc/47/88/21/388478821.db2.gz LFWCMYCNGJKGQW-RYUDHWBXSA-N 1 0 231.330 3.686 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000513966087 388478778 /nfs/dbraw/zinc/47/87/78/388478778.db2.gz LFWCMYCNGJKGQW-VXGBXAGGSA-N 1 0 231.330 3.686 20 0 BHADRO CC[N@H+](CC(C)C)C[C@@H]1CCCC(F)(F)C1 ZINC000513967477 388478851 /nfs/dbraw/zinc/47/88/51/388478851.db2.gz LBICIDPCIQDCNX-GFCCVEGCSA-N 1 0 233.346 3.790 20 0 BHADRO CC[N@H+](CC(C)C)C[C@H]1CCCC(F)(F)C1 ZINC000513967478 388478248 /nfs/dbraw/zinc/47/82/48/388478248.db2.gz LBICIDPCIQDCNX-LBPRGKRZSA-N 1 0 233.346 3.790 20 0 BHADRO CCC[NH+](CCC)C[C@@H]1CCCC(F)(F)C1 ZINC000513968457 388478706 /nfs/dbraw/zinc/47/87/06/388478706.db2.gz DGGHDQVBHFXOIL-GFCCVEGCSA-N 1 0 233.346 3.934 20 0 BHADRO CCC[NH+](CCC)C[C@H]1CCCC(F)(F)C1 ZINC000513968458 388478225 /nfs/dbraw/zinc/47/82/25/388478225.db2.gz DGGHDQVBHFXOIL-LBPRGKRZSA-N 1 0 233.346 3.934 20 0 BHADRO C[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000513971178 388479747 /nfs/dbraw/zinc/47/97/47/388479747.db2.gz FOGUVCBDSGVUCM-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO C[N@H+](C[C@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000513971179 529962869 /nfs/dbraw/zinc/96/28/69/529962869.db2.gz FOGUVCBDSGVUCM-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CC[N@H+](CCSC(C)C)C1CCCCC1 ZINC000513971316 528583640 /nfs/dbraw/zinc/58/36/40/528583640.db2.gz HWDONXNYQGVPNO-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513972379 388479863 /nfs/dbraw/zinc/47/98/63/388479863.db2.gz BKASQZWHKVTKMW-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513972380 388479693 /nfs/dbraw/zinc/47/96/93/388479693.db2.gz BKASQZWHKVTKMW-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000513972381 388479544 /nfs/dbraw/zinc/47/95/44/388479544.db2.gz BKASQZWHKVTKMW-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000513972382 388479384 /nfs/dbraw/zinc/47/93/84/388479384.db2.gz BKASQZWHKVTKMW-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1ccccc1C ZINC000514001217 388483708 /nfs/dbraw/zinc/48/37/08/388483708.db2.gz HKLPAUGEDIQRHH-UHFFFAOYSA-N 1 0 245.288 3.769 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCCO1)[C@H](C)CCC ZINC000514002113 388483818 /nfs/dbraw/zinc/48/38/18/388483818.db2.gz SDMGKTJIZASKOJ-CABCVRRESA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CCC ZINC000514002114 388483909 /nfs/dbraw/zinc/48/39/09/388483909.db2.gz SDMGKTJIZASKOJ-GJZGRUSLSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCCO1)[C@H](C)CCC ZINC000514002115 388483866 /nfs/dbraw/zinc/48/38/66/388483866.db2.gz SDMGKTJIZASKOJ-HUUCEWRRSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCCO1)[C@@H](C)CCC ZINC000514002116 388483401 /nfs/dbraw/zinc/48/34/01/388483401.db2.gz SDMGKTJIZASKOJ-LSDHHAIUSA-N 1 0 241.419 3.846 20 0 BHADRO CCC1(C)CC[NH+](CCOCCC(C)C)CC1 ZINC000514005046 256530661 /nfs/dbraw/zinc/53/06/61/256530661.db2.gz ACBYQKKSTKZUHW-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)CCC(F)(F)F)c1 ZINC000514007808 388483806 /nfs/dbraw/zinc/48/38/06/388483806.db2.gz SNMSXYGJUCXPKP-UHFFFAOYSA-N 1 0 245.288 3.688 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCOC1)[C@H](C)CCC ZINC000514008439 388484946 /nfs/dbraw/zinc/48/49/46/388484946.db2.gz JJRTXXNKBIJHPO-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCOC1)[C@@H](C)CCC ZINC000514008440 388485033 /nfs/dbraw/zinc/48/50/33/388485033.db2.gz JJRTXXNKBIJHPO-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCOC1)[C@H](C)CCC ZINC000514008441 388484489 /nfs/dbraw/zinc/48/44/89/388484489.db2.gz JJRTXXNKBIJHPO-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCOC1)[C@@H](C)CCC ZINC000514008442 388484961 /nfs/dbraw/zinc/48/49/61/388484961.db2.gz JJRTXXNKBIJHPO-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC000514008478 388484605 /nfs/dbraw/zinc/48/46/05/388484605.db2.gz KBMMUYDREMJOIC-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCC1(C)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000514009939 388485148 /nfs/dbraw/zinc/48/51/48/388485148.db2.gz PUKXJGTUNYTAKJ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[C@H](c1c(F)cccc1F)[NH+]1CCCCCC1 ZINC000514062433 385148675 /nfs/dbraw/zinc/14/86/75/385148675.db2.gz BXJZHTOAJPCHSL-LLVKDONJSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[NH+]1CCCCCC1 ZINC000514062434 385147196 /nfs/dbraw/zinc/14/71/96/385147196.db2.gz BXJZHTOAJPCHSL-NSHDSACASA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2CCCCCC2)c1 ZINC000514066207 388491012 /nfs/dbraw/zinc/49/10/12/388491012.db2.gz MYZWRMHZHYEJLP-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514074544 388492413 /nfs/dbraw/zinc/49/24/13/388492413.db2.gz PZKVCAIQCCXVBM-LLVKDONJSA-N 1 0 233.346 3.932 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514074545 388492579 /nfs/dbraw/zinc/49/25/79/388492579.db2.gz PZKVCAIQCCXVBM-NSHDSACASA-N 1 0 233.346 3.932 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000514076113 388493052 /nfs/dbraw/zinc/49/30/52/388493052.db2.gz RPQKPLSTBNGVLY-GRYCIOLGSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCCC(F)(F)C1 ZINC000514076114 388493337 /nfs/dbraw/zinc/49/33/37/388493337.db2.gz RPQKPLSTBNGVLY-IJLUTSLNSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000514076115 388493009 /nfs/dbraw/zinc/49/30/09/388493009.db2.gz RPQKPLSTBNGVLY-TUAOUCFPSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCCC(F)(F)C1 ZINC000514076116 388493446 /nfs/dbraw/zinc/49/34/46/388493446.db2.gz RPQKPLSTBNGVLY-UTUOFQBUSA-N 1 0 231.330 3.685 20 0 BHADRO CC[C@]1(C)CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514077245 388493530 /nfs/dbraw/zinc/49/35/30/388493530.db2.gz NWPUMEKYPWIAAM-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@]1(C)CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514077246 388492977 /nfs/dbraw/zinc/49/29/77/388492977.db2.gz NWPUMEKYPWIAAM-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@]1(C)CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514077247 388493488 /nfs/dbraw/zinc/49/34/88/388493488.db2.gz NWPUMEKYPWIAAM-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@]1(C)CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514077248 388493628 /nfs/dbraw/zinc/49/36/28/388493628.db2.gz NWPUMEKYPWIAAM-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO C[N@H+](CCC1CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000514077614 388493555 /nfs/dbraw/zinc/49/35/55/388493555.db2.gz VVXLMPADLQXPOI-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO C[N@H+](CCC1CC1)C[C@H]1CCCC(F)(F)C1 ZINC000514077615 388493350 /nfs/dbraw/zinc/49/33/50/388493350.db2.gz VVXLMPADLQXPOI-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)SCC[NH2+]C1(c2ccccc2)CCC1 ZINC000514078969 388493142 /nfs/dbraw/zinc/49/31/42/388493142.db2.gz VTNZMYPWSDYUJW-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514080170 388493483 /nfs/dbraw/zinc/49/34/83/388493483.db2.gz OEKDOSCAQMYFPH-GHMZBOCLSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514080171 388493376 /nfs/dbraw/zinc/49/33/76/388493376.db2.gz OEKDOSCAQMYFPH-MNOVXSKESA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514080172 388493327 /nfs/dbraw/zinc/49/33/27/388493327.db2.gz OEKDOSCAQMYFPH-QWRGUYRKSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514080173 388493632 /nfs/dbraw/zinc/49/36/32/388493632.db2.gz OEKDOSCAQMYFPH-WDEREUQCSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1c(Cl)cccc1OC ZINC000514080938 388493425 /nfs/dbraw/zinc/49/34/25/388493425.db2.gz ZQTSPWUFSGUXRV-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1OC ZINC000514080939 388493247 /nfs/dbraw/zinc/49/32/47/388493247.db2.gz ZQTSPWUFSGUXRV-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000514082781 487786447 /nfs/dbraw/zinc/78/64/47/487786447.db2.gz INYXURXMOLBQMR-BMFZPTHFSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000514082782 487786775 /nfs/dbraw/zinc/78/67/75/487786775.db2.gz INYXURXMOLBQMR-FVQBIDKESA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000514082783 487786602 /nfs/dbraw/zinc/78/66/02/487786602.db2.gz INYXURXMOLBQMR-KBMXLJTQSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000514082784 487786509 /nfs/dbraw/zinc/78/65/09/487786509.db2.gz INYXURXMOLBQMR-VNQPRFMTSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514083037 384375325 /nfs/dbraw/zinc/37/53/25/384375325.db2.gz JINFJGDCZNRUIM-LLVKDONJSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514083039 256596361 /nfs/dbraw/zinc/59/63/61/256596361.db2.gz JINFJGDCZNRUIM-NSHDSACASA-N 1 0 241.325 3.532 20 0 BHADRO CCCC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514086428 256611963 /nfs/dbraw/zinc/61/19/63/256611963.db2.gz ASBCHLVXPFUCDN-LLVKDONJSA-N 1 0 241.325 3.676 20 0 BHADRO CCCC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514086429 256611959 /nfs/dbraw/zinc/61/19/59/256611959.db2.gz ASBCHLVXPFUCDN-NSHDSACASA-N 1 0 241.325 3.676 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000514089671 487786470 /nfs/dbraw/zinc/78/64/70/487786470.db2.gz QVLWXSIYYRSIGE-BPLDGKMQSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000514089672 487786909 /nfs/dbraw/zinc/78/69/09/487786909.db2.gz QVLWXSIYYRSIGE-SNPRPXQTSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000514089673 487786367 /nfs/dbraw/zinc/78/63/67/487786367.db2.gz QVLWXSIYYRSIGE-VHDGCEQUSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000514089674 487786547 /nfs/dbraw/zinc/78/65/47/487786547.db2.gz QVLWXSIYYRSIGE-YUELXQCFSA-N 1 0 235.371 3.625 20 0 BHADRO CC(C)SCC[N@@H+]1CCCC12CCCCC2 ZINC000514090732 259398474 /nfs/dbraw/zinc/39/84/74/259398474.db2.gz RTAYCNYELFNGLO-UHFFFAOYSA-N 1 0 241.444 3.927 20 0 BHADRO FC1(F)CCC[C@H](C[NH+]2C[C@@H]3CCC[C@H]3C2)C1 ZINC000514090821 259398418 /nfs/dbraw/zinc/39/84/18/259398418.db2.gz SKIOJAOOKNWQQR-AVGNSLFASA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000514090822 259398364 /nfs/dbraw/zinc/39/83/64/259398364.db2.gz SKIOJAOOKNWQQR-RWMBFGLXSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000514090823 259398500 /nfs/dbraw/zinc/39/85/00/259398500.db2.gz SKIOJAOOKNWQQR-UPJWGTAASA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@H](C[NH+]2C[C@H]3CCC[C@@H]3C2)C1 ZINC000514090824 259398351 /nfs/dbraw/zinc/39/83/51/259398351.db2.gz SKIOJAOOKNWQQR-YNEHKIRRSA-N 1 0 243.341 3.544 20 0 BHADRO CC1(C)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000514092025 386541566 /nfs/dbraw/zinc/54/15/66/386541566.db2.gz BDERXKISYCAVMJ-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000514092726 323152822 /nfs/dbraw/zinc/15/28/22/323152822.db2.gz GJXBBEBJSPQFFT-APIJFGDWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000514092730 323152835 /nfs/dbraw/zinc/15/28/35/323152835.db2.gz GJXBBEBJSPQFFT-CBBWQLFWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000514092847 323152805 /nfs/dbraw/zinc/15/28/05/323152805.db2.gz GJXBBEBJSPQFFT-LJISPDSOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000514092848 323152833 /nfs/dbraw/zinc/15/28/33/323152833.db2.gz GJXBBEBJSPQFFT-ZQDZILKHSA-N 1 0 246.398 3.865 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000514093637 488054893 /nfs/dbraw/zinc/05/48/93/488054893.db2.gz KJCKCTHVHYXZEX-CVEARBPZSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000514093638 487787457 /nfs/dbraw/zinc/78/74/57/487787457.db2.gz KJCKCTHVHYXZEX-HOTGVXAUSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000514093639 487787529 /nfs/dbraw/zinc/78/75/29/487787529.db2.gz KJCKCTHVHYXZEX-HZPDHXFCSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000514093640 487787586 /nfs/dbraw/zinc/78/75/86/487787586.db2.gz KJCKCTHVHYXZEX-JKSUJKDBSA-N 1 0 247.382 3.610 20 0 BHADRO Cn1cccc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000514094520 386596442 /nfs/dbraw/zinc/59/64/42/386596442.db2.gz NOJCJGQAJWVVQG-UHFFFAOYSA-N 1 0 246.398 3.570 20 0 BHADRO C[C@H](C[N@H+](C)Cc1cccs1)c1ccccc1 ZINC000514095077 262753424 /nfs/dbraw/zinc/75/34/24/262753424.db2.gz PXLJNXDPHYNKKP-CYBMUJFWSA-N 1 0 245.391 3.984 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1cccs1)c1ccccc1 ZINC000514095080 386603801 /nfs/dbraw/zinc/60/38/01/386603801.db2.gz PXLJNXDPHYNKKP-ZDUSSCGKSA-N 1 0 245.391 3.984 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H](C)c2ccccc2)o1 ZINC000514096457 386680444 /nfs/dbraw/zinc/68/04/44/386680444.db2.gz WAQXWMKBURKISN-CYBMUJFWSA-N 1 0 243.350 3.824 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H](C)c2ccccc2)o1 ZINC000514096464 386682602 /nfs/dbraw/zinc/68/26/02/386682602.db2.gz WAQXWMKBURKISN-ZDUSSCGKSA-N 1 0 243.350 3.824 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000514098270 385913707 /nfs/dbraw/zinc/91/37/07/385913707.db2.gz FMQVQHUNHIUKCM-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO CCOCC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000514098272 385913555 /nfs/dbraw/zinc/91/35/55/385913555.db2.gz FMQVQHUNHIUKCM-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000514098990 386116273 /nfs/dbraw/zinc/11/62/73/386116273.db2.gz KYHSYSXLSMNKHC-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)cc1 ZINC000514099871 386846172 /nfs/dbraw/zinc/84/61/72/386846172.db2.gz RRFMUTDXGOJUCH-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)cc1 ZINC000514099873 386847745 /nfs/dbraw/zinc/84/77/45/386847745.db2.gz RRFMUTDXGOJUCH-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccccc1C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000514100580 386883664 /nfs/dbraw/zinc/88/36/64/386883664.db2.gz WTAYEXRFYGCDSE-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccccc1C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000514100581 386885211 /nfs/dbraw/zinc/88/52/11/386885211.db2.gz WTAYEXRFYGCDSE-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514100622 386883942 /nfs/dbraw/zinc/88/39/42/386883942.db2.gz WZHCXHFWXHJJFT-GHMZBOCLSA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514100627 386885079 /nfs/dbraw/zinc/88/50/79/386885079.db2.gz WZHCXHFWXHJJFT-MNOVXSKESA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514100628 386884623 /nfs/dbraw/zinc/88/46/23/386884623.db2.gz WZHCXHFWXHJJFT-QWRGUYRKSA-N 1 0 241.325 3.674 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514100630 386884321 /nfs/dbraw/zinc/88/43/21/386884321.db2.gz WZHCXHFWXHJJFT-WDEREUQCSA-N 1 0 241.325 3.674 20 0 BHADRO CCCCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514103637 356603275 /nfs/dbraw/zinc/60/32/75/356603275.db2.gz CZSANKDSNFITMI-AWEZNQCLSA-N 1 0 249.402 3.811 20 0 BHADRO CCCCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514103638 356603626 /nfs/dbraw/zinc/60/36/26/356603626.db2.gz CZSANKDSNFITMI-CQSZACIVSA-N 1 0 249.402 3.811 20 0 BHADRO COCCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000514104448 386910076 /nfs/dbraw/zinc/91/00/76/386910076.db2.gz JWUOIFDGRPSLSK-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514110739 323313994 /nfs/dbraw/zinc/31/39/94/323313994.db2.gz IDKDGNWZMWGALW-CHWSQXEVSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514110740 323313824 /nfs/dbraw/zinc/31/38/24/323313824.db2.gz IDKDGNWZMWGALW-OLZOCXBDSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514110741 323313999 /nfs/dbraw/zinc/31/39/99/323313999.db2.gz IDKDGNWZMWGALW-QWHCGFSZSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514110742 323313924 /nfs/dbraw/zinc/31/39/24/323313924.db2.gz IDKDGNWZMWGALW-STQMWFEESA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514111022 323314013 /nfs/dbraw/zinc/31/40/13/323314013.db2.gz LQMTXMWCYIPMRB-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514111023 323314026 /nfs/dbraw/zinc/31/40/26/323314026.db2.gz LQMTXMWCYIPMRB-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514111024 323313927 /nfs/dbraw/zinc/31/39/27/323313927.db2.gz LQMTXMWCYIPMRB-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514111025 323313681 /nfs/dbraw/zinc/31/36/81/323313681.db2.gz LQMTXMWCYIPMRB-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000514114973 323314619 /nfs/dbraw/zinc/31/46/19/323314619.db2.gz MSOCACLLSNUGAV-NEPJUHHUSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000514114974 323314879 /nfs/dbraw/zinc/31/48/79/323314879.db2.gz MSOCACLLSNUGAV-NWDGAFQWSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000514114975 323314533 /nfs/dbraw/zinc/31/45/33/323314533.db2.gz MSOCACLLSNUGAV-RYUDHWBXSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CCCC(F)(F)C1)C1(C)CC1 ZINC000514114976 323314653 /nfs/dbraw/zinc/31/46/53/323314653.db2.gz MSOCACLLSNUGAV-VXGBXAGGSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514116190 323313983 /nfs/dbraw/zinc/31/39/83/323313983.db2.gz YSYBBJJCUPAKQB-NEPJUHHUSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514116191 323314032 /nfs/dbraw/zinc/31/40/32/323314032.db2.gz YSYBBJJCUPAKQB-NWDGAFQWSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514116192 323313978 /nfs/dbraw/zinc/31/39/78/323313978.db2.gz YSYBBJJCUPAKQB-RYUDHWBXSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514116193 323313954 /nfs/dbraw/zinc/31/39/54/323313954.db2.gz YSYBBJJCUPAKQB-VXGBXAGGSA-N 1 0 233.346 3.790 20 0 BHADRO CCC1(CC)CC[N@H+](CCSC(C)C)C1 ZINC000514116328 323313612 /nfs/dbraw/zinc/31/36/12/323313612.db2.gz ZQSWVBURPFWWEP-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](CCO[C@H]1CCCC[C@H]1C)CC(C)C ZINC000514120845 386943138 /nfs/dbraw/zinc/94/31/38/386943138.db2.gz OPOOYIHPJJHXRU-CABCVRRESA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)CC(C)C ZINC000514120846 386942518 /nfs/dbraw/zinc/94/25/18/386942518.db2.gz OPOOYIHPJJHXRU-GJZGRUSLSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)CC(C)C ZINC000514120847 386943814 /nfs/dbraw/zinc/94/38/14/386943814.db2.gz OPOOYIHPJJHXRU-HUUCEWRRSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CC(C)C ZINC000514120848 386942952 /nfs/dbraw/zinc/94/29/52/386942952.db2.gz OPOOYIHPJJHXRU-LSDHHAIUSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[NH+](C[C@@H]1CCCC(F)(F)C1)C(C)C ZINC000514126316 386947728 /nfs/dbraw/zinc/94/77/28/386947728.db2.gz GSDHLNYSPFVKQR-GFCCVEGCSA-N 1 0 233.346 3.931 20 0 BHADRO CC(C)[NH+](C[C@H]1CCCC(F)(F)C1)C(C)C ZINC000514126317 386947736 /nfs/dbraw/zinc/94/77/36/386947736.db2.gz GSDHLNYSPFVKQR-LBPRGKRZSA-N 1 0 233.346 3.931 20 0 BHADRO FC1(F)CCC[C@H](C[N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000514127584 386947434 /nfs/dbraw/zinc/94/74/34/386947434.db2.gz WUPLNJBQWVRQNG-AAEUAGOBSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@@H](C[N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000514127585 386947463 /nfs/dbraw/zinc/94/74/63/386947463.db2.gz WUPLNJBQWVRQNG-DGCLKSJQSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000514127586 256680076 /nfs/dbraw/zinc/68/00/76/256680076.db2.gz WUPLNJBQWVRQNG-WCQYABFASA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[C@@H](C[N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000514127587 256680074 /nfs/dbraw/zinc/68/00/74/256680074.db2.gz WUPLNJBQWVRQNG-YPMHNXCESA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1C ZINC000514131546 256680110 /nfs/dbraw/zinc/68/01/10/256680110.db2.gz ZWHALFBNCBTAFI-AGIUHOORSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1C ZINC000514131547 386950801 /nfs/dbraw/zinc/95/08/01/386950801.db2.gz ZWHALFBNCBTAFI-FRRDWIJNSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC000514131548 386951633 /nfs/dbraw/zinc/95/16/33/386951633.db2.gz ZWHALFBNCBTAFI-JHJVBQTASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC000514131549 386950867 /nfs/dbraw/zinc/95/08/67/386950867.db2.gz ZWHALFBNCBTAFI-UPJWGTAASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514137431 386949376 /nfs/dbraw/zinc/94/93/76/386949376.db2.gz FYRVCAGPMGRNTA-NEPJUHHUSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514137432 256680092 /nfs/dbraw/zinc/68/00/92/256680092.db2.gz FYRVCAGPMGRNTA-NWDGAFQWSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H](C1CCC1)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514137433 386949177 /nfs/dbraw/zinc/94/91/77/386949177.db2.gz FYRVCAGPMGRNTA-RYUDHWBXSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H](C1CCC1)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514137434 386949729 /nfs/dbraw/zinc/94/97/29/386949729.db2.gz FYRVCAGPMGRNTA-VXGBXAGGSA-N 1 0 245.357 3.932 20 0 BHADRO CC(C)SCC[N@@H+]1CCCc2ccccc2C1 ZINC000514138351 386948960 /nfs/dbraw/zinc/94/89/60/386948960.db2.gz NRHJJTIMXIYLNQ-UHFFFAOYSA-N 1 0 249.423 3.576 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(C)C ZINC000514174904 324108952 /nfs/dbraw/zinc/10/89/52/324108952.db2.gz SDRSDKQSHHANMO-INIZCTEOSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(C)C ZINC000514174905 324109351 /nfs/dbraw/zinc/10/93/51/324109351.db2.gz SDRSDKQSHHANMO-MRXNPFEDSA-N 1 0 231.383 3.658 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514184247 324108918 /nfs/dbraw/zinc/10/89/18/324108918.db2.gz RYTOJILFFAAFDV-INIZCTEOSA-N 1 0 231.383 3.802 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514184248 324108264 /nfs/dbraw/zinc/10/82/64/324108264.db2.gz RYTOJILFFAAFDV-MRXNPFEDSA-N 1 0 231.383 3.802 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000514205878 387272209 /nfs/dbraw/zinc/27/22/09/387272209.db2.gz HSMTVFKDIRMMQK-FRRDWIJNSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000514205879 387272263 /nfs/dbraw/zinc/27/22/63/387272263.db2.gz HSMTVFKDIRMMQK-JHJVBQTASA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000514205880 387271700 /nfs/dbraw/zinc/27/17/00/387271700.db2.gz HSMTVFKDIRMMQK-RWMBFGLXSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000514205881 387272290 /nfs/dbraw/zinc/27/22/90/387272290.db2.gz HSMTVFKDIRMMQK-YNEHKIRRSA-N 1 0 245.357 3.932 20 0 BHADRO CC[N@H+](CC1CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000514213051 387272143 /nfs/dbraw/zinc/27/21/43/387272143.db2.gz CNEWJWLWCYYHGB-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC[N@H+](CC1CC1)C[C@H]1CCCC(F)(F)C1 ZINC000514213052 387271830 /nfs/dbraw/zinc/27/18/30/387271830.db2.gz CNEWJWLWCYYHGB-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514220808 324109462 /nfs/dbraw/zinc/10/94/62/324109462.db2.gz BUJFWOKQYFWYSK-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@@H]1CCCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514220809 324109272 /nfs/dbraw/zinc/10/92/72/324109272.db2.gz BUJFWOKQYFWYSK-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000514220810 324109399 /nfs/dbraw/zinc/10/93/99/324109399.db2.gz BUJFWOKQYFWYSK-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000514220811 324109219 /nfs/dbraw/zinc/10/92/19/324109219.db2.gz BUJFWOKQYFWYSK-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000514232799 387270692 /nfs/dbraw/zinc/27/06/92/387270692.db2.gz QJHHMSLKSIINLS-HNNXBMFYSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000514232800 387269640 /nfs/dbraw/zinc/26/96/40/387269640.db2.gz QJHHMSLKSIINLS-OAHLLOKOSA-N 1 0 248.414 3.667 20 0 BHADRO CC(C)SCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000514244634 387271555 /nfs/dbraw/zinc/27/15/55/387271555.db2.gz LJROJJZTVILGFD-BFHYXJOUSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000514244635 387271608 /nfs/dbraw/zinc/27/16/08/387271608.db2.gz LJROJJZTVILGFD-IHRRRGAJSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000514244636 387271912 /nfs/dbraw/zinc/27/19/12/387271912.db2.gz LJROJJZTVILGFD-MELADBBJSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000514244637 387271785 /nfs/dbraw/zinc/27/17/85/387271785.db2.gz LJROJJZTVILGFD-MJBXVCDLSA-N 1 0 241.444 3.639 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](C/C=C\c2ccccc2)C1 ZINC000514517726 386439282 /nfs/dbraw/zinc/43/92/82/386439282.db2.gz ZCIKVXANNUXWRW-AJNJCKRNSA-N 1 0 229.367 3.678 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](C/C=C\c2ccccc2)C1 ZINC000514517727 386441331 /nfs/dbraw/zinc/44/13/31/386441331.db2.gz ZCIKVXANNUXWRW-VUEDLFODSA-N 1 0 229.367 3.678 20 0 BHADRO C[N@H+](CCC1CCCCCC1)Cc1ccccn1 ZINC000514619308 323326370 /nfs/dbraw/zinc/32/63/70/323326370.db2.gz USKYVBHHIITAAN-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO C[C@@H]([N@H+](C)CCc1ccccc1F)C(C)(C)C ZINC000514642163 387025374 /nfs/dbraw/zinc/02/53/74/387025374.db2.gz SYIIRLVFVZVSSP-GFCCVEGCSA-N 1 0 237.362 3.735 20 0 BHADRO C[C@H]([N@H+](C)CCc1ccccc1F)C(C)(C)C ZINC000514642164 387024395 /nfs/dbraw/zinc/02/43/95/387024395.db2.gz SYIIRLVFVZVSSP-LBPRGKRZSA-N 1 0 237.362 3.735 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000514720183 387277742 /nfs/dbraw/zinc/27/77/42/387277742.db2.gz NFZSPXFCXVXYBM-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000514720184 387277523 /nfs/dbraw/zinc/27/75/23/387277523.db2.gz NFZSPXFCXVXYBM-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000514736067 387281997 /nfs/dbraw/zinc/28/19/97/387281997.db2.gz BHBFPUAEXYGDCR-UHFFFAOYSA-N 1 0 223.747 3.738 20 0 BHADRO CC(C)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000514745079 387284842 /nfs/dbraw/zinc/28/48/42/387284842.db2.gz TVGXXMGOPRHNQJ-HNNXBMFYSA-N 1 0 217.356 3.652 20 0 BHADRO CC(C)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000514745080 387283707 /nfs/dbraw/zinc/28/37/07/387283707.db2.gz TVGXXMGOPRHNQJ-OAHLLOKOSA-N 1 0 217.356 3.652 20 0 BHADRO CC(C)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000514745202 387284642 /nfs/dbraw/zinc/28/46/42/387284642.db2.gz ZZGVXTLKXDXOLV-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000514747254 387283722 /nfs/dbraw/zinc/28/37/22/387283722.db2.gz NTOMWDCCSKDYKQ-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000514747255 387285152 /nfs/dbraw/zinc/28/51/52/387285152.db2.gz NTOMWDCCSKDYKQ-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000514747256 387283364 /nfs/dbraw/zinc/28/33/64/387283364.db2.gz NTOMWDCCSKDYKQ-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000514747257 387285187 /nfs/dbraw/zinc/28/51/87/387285187.db2.gz NTOMWDCCSKDYKQ-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2O ZINC000514758822 387285803 /nfs/dbraw/zinc/28/58/03/387285803.db2.gz RCTAYXMCBZSZJM-DOMZBBRYSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000514758823 387285701 /nfs/dbraw/zinc/28/57/01/387285701.db2.gz RCTAYXMCBZSZJM-IUODEOHRSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000514758824 387286432 /nfs/dbraw/zinc/28/64/32/387286432.db2.gz RCTAYXMCBZSZJM-SWLSCSKDSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2O ZINC000514758825 387286750 /nfs/dbraw/zinc/28/67/50/387286750.db2.gz RCTAYXMCBZSZJM-WFASDCNBSA-N 1 0 247.382 3.651 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)CC2(C)CC2)c1 ZINC000514769671 324111875 /nfs/dbraw/zinc/11/18/75/324111875.db2.gz UEBXIVJQJQUHJR-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000514786270 262913144 /nfs/dbraw/zinc/91/31/44/262913144.db2.gz USZILBYFGGNCQQ-LLVKDONJSA-N 1 0 233.346 3.932 20 0 BHADRO CCC[C@H](C)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000514786271 262913213 /nfs/dbraw/zinc/91/32/13/262913213.db2.gz USZILBYFGGNCQQ-NSHDSACASA-N 1 0 233.346 3.932 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000514787845 387288458 /nfs/dbraw/zinc/28/84/58/387288458.db2.gz FTWUKGBIVAUYCH-AWEZNQCLSA-N 1 0 219.372 3.924 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000514787851 387288357 /nfs/dbraw/zinc/28/83/57/387288357.db2.gz FTWUKGBIVAUYCH-CQSZACIVSA-N 1 0 219.372 3.924 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000514790279 387291777 /nfs/dbraw/zinc/29/17/77/387291777.db2.gz NIXWHHNHRMQFOZ-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000514790280 256720338 /nfs/dbraw/zinc/72/03/38/256720338.db2.gz NIXWHHNHRMQFOZ-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](OC)C1 ZINC000514790281 387292680 /nfs/dbraw/zinc/29/26/80/387292680.db2.gz NIXWHHNHRMQFOZ-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000514790282 387291928 /nfs/dbraw/zinc/29/19/28/387291928.db2.gz NIXWHHNHRMQFOZ-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[N@H+](CCCCCF)Cc1cccc(F)c1 ZINC000514795047 387292121 /nfs/dbraw/zinc/29/21/21/387292121.db2.gz OGTYSZJNJAWEDZ-UHFFFAOYSA-N 1 0 241.325 3.787 20 0 BHADRO CCC(CC)[N@H+](CC)CCCc1cnccc1C ZINC000514817936 387290598 /nfs/dbraw/zinc/29/05/98/387290598.db2.gz NXNMZTWDXXTZHG-UHFFFAOYSA-N 1 0 248.414 3.833 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000514819665 387290258 /nfs/dbraw/zinc/29/02/58/387290258.db2.gz ADHXSBFYUJPHSL-KFWWJZLASA-N 1 0 242.451 3.520 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000514819702 387290555 /nfs/dbraw/zinc/29/05/55/387290555.db2.gz ADHXSBFYUJPHSL-RBSFLKMASA-N 1 0 242.451 3.520 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000514819703 387290905 /nfs/dbraw/zinc/29/09/05/387290905.db2.gz ADHXSBFYUJPHSL-RRFJBIMHSA-N 1 0 242.451 3.520 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000514819704 387290972 /nfs/dbraw/zinc/29/09/72/387290972.db2.gz ADHXSBFYUJPHSL-ZNMIVQPWSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)=CC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000514823121 387290327 /nfs/dbraw/zinc/29/03/27/387290327.db2.gz PNOMOMFNOQOUSQ-KRWDZBQOSA-N 1 0 243.394 3.872 20 0 BHADRO CC(C)=CC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000514823122 387289897 /nfs/dbraw/zinc/28/98/97/387289897.db2.gz PNOMOMFNOQOUSQ-QGZVFWFLSA-N 1 0 243.394 3.872 20 0 BHADRO C[C@@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839702 387300387 /nfs/dbraw/zinc/30/03/87/387300387.db2.gz DPOZKCZQGNHJGT-GARJFASQSA-N 1 0 239.309 3.551 20 0 BHADRO C[C@H](C[NH+]1[C@H](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000514839703 387299795 /nfs/dbraw/zinc/29/97/95/387299795.db2.gz DPOZKCZQGNHJGT-GMTAPVOTSA-N 1 0 239.309 3.551 20 0 BHADRO C[C@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839704 387299771 /nfs/dbraw/zinc/29/97/71/387299771.db2.gz DPOZKCZQGNHJGT-MXWKQRLJSA-N 1 0 239.309 3.551 20 0 BHADRO C[C@H](C[NH+]1[C@@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839705 387300312 /nfs/dbraw/zinc/30/03/12/387300312.db2.gz DPOZKCZQGNHJGT-VWYCJHECSA-N 1 0 239.309 3.551 20 0 BHADRO CCCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000514849635 387295578 /nfs/dbraw/zinc/29/55/78/387295578.db2.gz PZILILKRZPMJIZ-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)CCCCCF)c1 ZINC000514850791 387298373 /nfs/dbraw/zinc/29/83/73/387298373.db2.gz ISGUWBVWUTXDSF-UHFFFAOYSA-N 1 0 237.362 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000514867953 256724437 /nfs/dbraw/zinc/72/44/37/256724437.db2.gz ZHKMRQBQMZGVBJ-NWDGAFQWSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000514867954 387303276 /nfs/dbraw/zinc/30/32/76/387303276.db2.gz ZHKMRQBQMZGVBJ-VXGBXAGGSA-N 1 0 234.387 3.729 20 0 BHADRO Cc1ccc(C)c(C[NH+](CC2CC2)CC2CC2)c1 ZINC000514885039 387304150 /nfs/dbraw/zinc/30/41/50/387304150.db2.gz OYZXEWDFFUVHSF-UHFFFAOYSA-N 1 0 243.394 3.925 20 0 BHADRO CCc1ccc(CC[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000514885664 256723981 /nfs/dbraw/zinc/72/39/81/256723981.db2.gz VQWSTEBGVSQNPV-CYBMUJFWSA-N 1 0 231.383 3.522 20 0 BHADRO CCc1ccc(CC[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000514885665 387304295 /nfs/dbraw/zinc/30/42/95/387304295.db2.gz VQWSTEBGVSQNPV-ZDUSSCGKSA-N 1 0 231.383 3.522 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000514886038 256724691 /nfs/dbraw/zinc/72/46/91/256724691.db2.gz CNSUJHNXNJZTLO-HZPDHXFCSA-N 1 0 247.382 3.685 20 0 BHADRO CCC(CC)C[NH+]1CCC(c2ccncc2)CC1 ZINC000514890821 256723819 /nfs/dbraw/zinc/72/38/19/256723819.db2.gz NZPSEVRFDNIDKB-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000514894737 387303609 /nfs/dbraw/zinc/30/36/09/387303609.db2.gz VBQUWWXIVSMDQN-CYBMUJFWSA-N 1 0 205.345 3.697 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000514894747 387304593 /nfs/dbraw/zinc/30/45/93/387304593.db2.gz VBQUWWXIVSMDQN-ZDUSSCGKSA-N 1 0 205.345 3.697 20 0 BHADRO CCc1ccc(C[N@H+]2CCC[C@H](CC)CC2)nc1 ZINC000514923228 387307775 /nfs/dbraw/zinc/30/77/75/387307775.db2.gz ZZDXJIASXBGKNW-AWEZNQCLSA-N 1 0 246.398 3.656 20 0 BHADRO CCc1ccc(C[N@H+]2CCC[C@@H](CC)CC2)nc1 ZINC000514923229 387308605 /nfs/dbraw/zinc/30/86/05/387308605.db2.gz ZZDXJIASXBGKNW-CQSZACIVSA-N 1 0 246.398 3.656 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]CCCC2CC2)cc1 ZINC000514924410 387308563 /nfs/dbraw/zinc/30/85/63/387308563.db2.gz JEPWCBWBXSTTKG-HOTGVXAUSA-N 1 0 229.367 3.570 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000514942155 387310537 /nfs/dbraw/zinc/31/05/37/387310537.db2.gz SWFWOXLUCWDQCT-VDERGJSUSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000514942156 387310551 /nfs/dbraw/zinc/31/05/51/387310551.db2.gz SWFWOXLUCWDQCT-VRKREXBASA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000514942157 387310458 /nfs/dbraw/zinc/31/04/58/387310458.db2.gz SWFWOXLUCWDQCT-XRGAULLZSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC(CCC)[NH2+]Cc1noc2ccccc12 ZINC000514952112 387315016 /nfs/dbraw/zinc/31/50/16/387315016.db2.gz OQZZFWNTZGYRKF-UHFFFAOYSA-N 1 0 246.354 3.886 20 0 BHADRO c1[nH+]c(N[C@H]2CCC[C@H]3C[C@H]32)cc2c1CCCC2 ZINC000514981096 387321644 /nfs/dbraw/zinc/32/16/44/387321644.db2.gz XAIBVBYOPXGWOK-CFVMTHIKSA-N 1 0 242.366 3.561 20 0 BHADRO c1[nH+]c(N[C@@H]2CCC[C@H]3C[C@H]32)cc2c1CCCC2 ZINC000514981097 387321781 /nfs/dbraw/zinc/32/17/81/387321781.db2.gz XAIBVBYOPXGWOK-NWANDNLSSA-N 1 0 242.366 3.561 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000515011446 387327097 /nfs/dbraw/zinc/32/70/97/387327097.db2.gz ORIBAWKQZQANAZ-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000515011448 387326055 /nfs/dbraw/zinc/32/60/55/387326055.db2.gz ORIBAWKQZQANAZ-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H](C)COC(C)C)C1CCC1 ZINC000515018843 387325223 /nfs/dbraw/zinc/32/52/23/387325223.db2.gz KSCXTMPHCAKLAY-DZGCQCFKSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H]([NH2+][C@H](C)COC(C)C)C1CCC1 ZINC000515018844 387325356 /nfs/dbraw/zinc/32/53/56/387325356.db2.gz KSCXTMPHCAKLAY-HIFRSBDPSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@@H]([NH2+][C@H](C)COC(C)C)C1CCC1 ZINC000515018845 387324727 /nfs/dbraw/zinc/32/47/27/387324727.db2.gz KSCXTMPHCAKLAY-UKRRQHHQSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H]([NH2+][C@@H](C)COC(C)C)C1CCC1 ZINC000515018846 387324990 /nfs/dbraw/zinc/32/49/90/387324990.db2.gz KSCXTMPHCAKLAY-ZFWWWQNUSA-N 1 0 241.419 3.748 20 0 BHADRO COc1cc(C[NH2+]CC2CC(C)(C)C2)ccc1C ZINC000515034341 387325299 /nfs/dbraw/zinc/32/52/99/387325299.db2.gz HPFLXPUMLGSEAH-UHFFFAOYSA-N 1 0 247.382 3.529 20 0 BHADRO CC(C)C[NH+](CCc1cccs1)CC(C)C ZINC000515035352 387324188 /nfs/dbraw/zinc/32/41/88/387324188.db2.gz GTCVEHJEGNDMPR-UHFFFAOYSA-N 1 0 239.428 3.905 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000515041488 387333484 /nfs/dbraw/zinc/33/34/84/387333484.db2.gz DWXSBRYMKUZIIS-AWEZNQCLSA-N 1 0 219.372 3.924 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000515041494 387334543 /nfs/dbraw/zinc/33/45/43/387334543.db2.gz DWXSBRYMKUZIIS-CQSZACIVSA-N 1 0 219.372 3.924 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC000515072775 387331977 /nfs/dbraw/zinc/33/19/77/387331977.db2.gz JPRPDBQPFDHLIO-FMKPAKJESA-N 1 0 231.383 3.991 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC000515072779 387331316 /nfs/dbraw/zinc/33/13/16/387331316.db2.gz JPRPDBQPFDHLIO-IIAWOOMASA-N 1 0 231.383 3.991 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC000515072780 387331941 /nfs/dbraw/zinc/33/19/41/387331941.db2.gz JPRPDBQPFDHLIO-IJEWVQPXSA-N 1 0 231.383 3.991 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC000515072782 387330932 /nfs/dbraw/zinc/33/09/32/387330932.db2.gz JPRPDBQPFDHLIO-YCPHGPKFSA-N 1 0 231.383 3.991 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000515093201 387336910 /nfs/dbraw/zinc/33/69/10/387336910.db2.gz FUIMMUURCWCYAK-MPKXVKKWSA-N 1 0 235.758 3.743 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000515093202 387335835 /nfs/dbraw/zinc/33/58/35/387335835.db2.gz FUIMMUURCWCYAK-OSMZGAPFSA-N 1 0 235.758 3.743 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000515093203 387335474 /nfs/dbraw/zinc/33/54/74/387335474.db2.gz FUIMMUURCWCYAK-QKCSRTOESA-N 1 0 235.758 3.743 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000515093204 387335308 /nfs/dbraw/zinc/33/53/08/387335308.db2.gz FUIMMUURCWCYAK-SCDSUCTJSA-N 1 0 235.758 3.743 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]CC1(C)CC1 ZINC000515110182 387337618 /nfs/dbraw/zinc/33/76/18/387337618.db2.gz RFKFAFAEXDREQR-UHFFFAOYSA-N 1 0 231.383 3.662 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000515115302 387336773 /nfs/dbraw/zinc/33/67/73/387336773.db2.gz LNWLGWVGQKLBTO-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000515115303 387335951 /nfs/dbraw/zinc/33/59/51/387335951.db2.gz LNWLGWVGQKLBTO-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000515115304 387336608 /nfs/dbraw/zinc/33/66/08/387336608.db2.gz LNWLGWVGQKLBTO-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000515115305 387336397 /nfs/dbraw/zinc/33/63/97/387336397.db2.gz LNWLGWVGQKLBTO-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C)ccc1OC ZINC000515123660 387337779 /nfs/dbraw/zinc/33/77/79/387337779.db2.gz MCVCMHQUXRJDEN-UHFFFAOYSA-N 1 0 235.371 3.626 20 0 BHADRO CCCC[N@H+](Cc1cccc(C)c1)C1CC1 ZINC000515123718 387338653 /nfs/dbraw/zinc/33/86/53/387338653.db2.gz KTEQOLQPKBFQBN-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO CCCC[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000515123757 387338531 /nfs/dbraw/zinc/33/85/31/387338531.db2.gz PSFOIWGVISPLFL-YFHOEESVSA-N 1 0 229.367 3.964 20 0 BHADRO Cc1ccsc1C[N@H+](C)CC1CCCC1 ZINC000515134762 387339152 /nfs/dbraw/zinc/33/91/52/387339152.db2.gz BJHPHGWIUAZLCI-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO C[N@H+](CC1CCCC1)[C@H]1CCc2ccccc21 ZINC000515134882 387339292 /nfs/dbraw/zinc/33/92/92/387339292.db2.gz LSMGLZOKCPWPIH-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](CC1CCCC1)[C@@H]1CCc2ccccc21 ZINC000515134884 387337569 /nfs/dbraw/zinc/33/75/69/387337569.db2.gz LSMGLZOKCPWPIH-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CCC[N@H+](C)Cc1c2ccccc2oc1CC ZINC000515135889 387339102 /nfs/dbraw/zinc/33/91/02/387339102.db2.gz ZBBHQIONDJMITB-UHFFFAOYSA-N 1 0 231.339 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1C ZINC000515157991 387341142 /nfs/dbraw/zinc/34/11/42/387341142.db2.gz WTYUAEMQYTWULV-BNDIWNMDSA-N 1 0 245.357 3.690 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1C ZINC000515157992 387341605 /nfs/dbraw/zinc/34/16/05/387341605.db2.gz WTYUAEMQYTWULV-MOLYVOAJSA-N 1 0 245.357 3.690 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1C ZINC000515157993 387341792 /nfs/dbraw/zinc/34/17/92/387341792.db2.gz WTYUAEMQYTWULV-PPCPHDFISA-N 1 0 245.357 3.690 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1C ZINC000515157994 387341834 /nfs/dbraw/zinc/34/18/34/387341834.db2.gz WTYUAEMQYTWULV-VLJOUNFMSA-N 1 0 245.357 3.690 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1ccccc1C ZINC000515193954 387347588 /nfs/dbraw/zinc/34/75/88/387347588.db2.gz NLJVPSXSOBDBEG-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO C[N@H+](CCCF)Cc1ccc(C(C)(C)C)cc1 ZINC000515194773 387348142 /nfs/dbraw/zinc/34/81/42/387348142.db2.gz FYURVZPMWJAZJN-UHFFFAOYSA-N 1 0 237.362 3.776 20 0 BHADRO C[C@]1([NH2+]CC2CCC2)CCCc2ccccc21 ZINC000515202386 387345253 /nfs/dbraw/zinc/34/52/53/387345253.db2.gz QPINPQMJQBZJPH-INIZCTEOSA-N 1 0 229.367 3.628 20 0 BHADRO C[C@@]1([NH2+]CC2CCC2)CCCc2ccccc21 ZINC000515202388 387345111 /nfs/dbraw/zinc/34/51/11/387345111.db2.gz QPINPQMJQBZJPH-MRXNPFEDSA-N 1 0 229.367 3.628 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000515237556 387352781 /nfs/dbraw/zinc/35/27/81/387352781.db2.gz BDZUFJONMICZSZ-FXUDXRNXSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000515237557 387352049 /nfs/dbraw/zinc/35/20/49/387352049.db2.gz BDZUFJONMICZSZ-LVQVYYBASA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000515237558 387352906 /nfs/dbraw/zinc/35/29/06/387352906.db2.gz BDZUFJONMICZSZ-XUWVNRHRSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000515237559 387351950 /nfs/dbraw/zinc/35/19/50/387351950.db2.gz BDZUFJONMICZSZ-YHUYYLMFSA-N 1 0 247.357 3.803 20 0 BHADRO CCCC[N@H+](Cc1cocn1)C1CCCCC1 ZINC000515239802 387352932 /nfs/dbraw/zinc/35/29/32/387352932.db2.gz UFZHTQLLRQWGII-UHFFFAOYSA-N 1 0 236.359 3.609 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000515249802 387351986 /nfs/dbraw/zinc/35/19/86/387351986.db2.gz NKFODYDXMLZTRK-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000515249809 387352323 /nfs/dbraw/zinc/35/23/23/387352323.db2.gz NKFODYDXMLZTRK-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000515249811 387351772 /nfs/dbraw/zinc/35/17/72/387351772.db2.gz NKFODYDXMLZTRK-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000515249812 387353086 /nfs/dbraw/zinc/35/30/86/387353086.db2.gz NKFODYDXMLZTRK-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO C[N@H+](CCC1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000515250353 387352638 /nfs/dbraw/zinc/35/26/38/387352638.db2.gz UKCOKDSMEBYQHB-TXEJJXNPSA-N 1 0 249.320 3.839 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)c1 ZINC000515289613 387356307 /nfs/dbraw/zinc/35/63/07/387356307.db2.gz VMWCUZRYJKKWMK-DZGCQCFKSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)c1 ZINC000515289614 387356733 /nfs/dbraw/zinc/35/67/33/387356733.db2.gz VMWCUZRYJKKWMK-HIFRSBDPSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000515289615 387355743 /nfs/dbraw/zinc/35/57/43/387355743.db2.gz VMWCUZRYJKKWMK-UKRRQHHQSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)c1 ZINC000515289616 387356895 /nfs/dbraw/zinc/35/68/95/387356895.db2.gz VMWCUZRYJKKWMK-ZFWWWQNUSA-N 1 0 217.356 3.615 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000515313403 387358092 /nfs/dbraw/zinc/35/80/92/387358092.db2.gz CENYJZKPKDRVPU-LZWOXQAQSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000515313404 387359682 /nfs/dbraw/zinc/35/96/82/387359682.db2.gz CENYJZKPKDRVPU-SQWLQELKSA-N 1 0 247.357 3.537 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCc1ccncc1C ZINC000515349254 387368482 /nfs/dbraw/zinc/36/84/82/387368482.db2.gz CRODVCXWBTVXLW-INIZCTEOSA-N 1 0 246.398 3.587 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCc1ccncc1C ZINC000515349255 387367587 /nfs/dbraw/zinc/36/75/87/387367587.db2.gz CRODVCXWBTVXLW-MRXNPFEDSA-N 1 0 246.398 3.587 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@H]1C ZINC000515354224 387369831 /nfs/dbraw/zinc/36/98/31/387369831.db2.gz XJNOSNFGLFXZFO-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]1C ZINC000515354225 387370940 /nfs/dbraw/zinc/37/09/40/387370940.db2.gz XJNOSNFGLFXZFO-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]1C ZINC000515354226 387371411 /nfs/dbraw/zinc/37/14/11/387371411.db2.gz XJNOSNFGLFXZFO-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@@H]1C ZINC000515354227 387370240 /nfs/dbraw/zinc/37/02/40/387370240.db2.gz XJNOSNFGLFXZFO-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO C[N@H+](Cc1csc(C(C)(C)C)n1)C(C)(C)C ZINC000515380856 387373877 /nfs/dbraw/zinc/37/38/77/387373877.db2.gz LWRYBDLOQVKDBM-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC[N@H+](Cc1ccccc1OCC(C)C)C(C)C ZINC000515389343 387376300 /nfs/dbraw/zinc/37/63/00/387376300.db2.gz BIXGDSYFUAGJGT-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)Oc2cccc(C)c2)C1 ZINC000515441046 487635796 /nfs/dbraw/zinc/63/57/96/487635796.db2.gz MPGOQDOTCOXTNT-NFOMZHRRSA-N 1 0 247.382 3.541 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)Oc2cccc(C)c2)C1 ZINC000515441047 487635676 /nfs/dbraw/zinc/63/56/76/487635676.db2.gz MPGOQDOTCOXTNT-WLYUNCDWSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000515443807 411275340 /nfs/dbraw/zinc/27/53/40/411275340.db2.gz PVMASPKGQFJMNQ-GFCCVEGCSA-N 1 0 235.346 3.618 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000515443808 411275213 /nfs/dbraw/zinc/27/52/13/411275213.db2.gz PVMASPKGQFJMNQ-LBPRGKRZSA-N 1 0 235.346 3.618 20 0 BHADRO Cc1cnccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000515458677 256746685 /nfs/dbraw/zinc/74/66/85/256746685.db2.gz WPLVPVVELPEMBR-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC000515475002 387383838 /nfs/dbraw/zinc/38/38/38/387383838.db2.gz CZVVKGPCVRKFLV-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC000515475003 387383157 /nfs/dbraw/zinc/38/31/57/387383157.db2.gz CZVVKGPCVRKFLV-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CC[N@H+](CCCc1ccccc1Cl)C1CC1 ZINC000515477123 387386752 /nfs/dbraw/zinc/38/67/52/387386752.db2.gz YVZAJQVHYNBSFX-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000515494432 387388804 /nfs/dbraw/zinc/38/88/04/387388804.db2.gz QPJVIZBMVWVTAZ-UHFFFAOYSA-N 1 0 230.355 3.692 20 0 BHADRO CC[N@H+](CCSc1ccccc1F)C(C)C ZINC000515496243 387391166 /nfs/dbraw/zinc/39/11/66/387391166.db2.gz QUPLGWCUVUIBRW-UHFFFAOYSA-N 1 0 241.375 3.648 20 0 BHADRO CC(C)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000515502667 256749029 /nfs/dbraw/zinc/74/90/29/256749029.db2.gz GXKGTQOGXBSJTM-UHFFFAOYSA-N 1 0 209.377 3.686 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000515509432 256748860 /nfs/dbraw/zinc/74/88/60/256748860.db2.gz XJAURAYJXKNNHO-HNNXBMFYSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000515509433 387392366 /nfs/dbraw/zinc/39/23/66/387392366.db2.gz XJAURAYJXKNNHO-OAHLLOKOSA-N 1 0 217.356 3.788 20 0 BHADRO c1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000515510020 256749321 /nfs/dbraw/zinc/74/93/21/256749321.db2.gz GVRUHWJPGCGRNT-INIZCTEOSA-N 1 0 229.367 3.841 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000515510133 387392225 /nfs/dbraw/zinc/39/22/25/387392225.db2.gz CCHOVZINIIPCMH-INIZCTEOSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000515510137 387393081 /nfs/dbraw/zinc/39/30/81/387393081.db2.gz CCHOVZINIIPCMH-MRXNPFEDSA-N 1 0 247.357 3.980 20 0 BHADRO c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000515510200 387392074 /nfs/dbraw/zinc/39/20/74/387392074.db2.gz GVRUHWJPGCGRNT-MRXNPFEDSA-N 1 0 229.367 3.841 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000515525301 387391954 /nfs/dbraw/zinc/39/19/54/387391954.db2.gz CMMLBFZSSCJFIW-ZFWWWQNUSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1C2CCC1CC2 ZINC000515542233 387393587 /nfs/dbraw/zinc/39/35/87/387393587.db2.gz LNQIGRRYSCXMDW-FNBIGBAISA-N 1 0 219.303 3.514 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1C2CCC1CC2 ZINC000515542351 387394466 /nfs/dbraw/zinc/39/44/66/387394466.db2.gz LNQIGRRYSCXMDW-GWMXKSKGSA-N 1 0 219.303 3.514 20 0 BHADRO CC[N@@H+](CCc1ccccc1)CCC(C)C ZINC000515545492 387395439 /nfs/dbraw/zinc/39/54/39/387395439.db2.gz VVUKDFDVXZMHFA-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO CC[N@@H+](Cc1ccc(Cl)cc1)CC(C)C ZINC000515546988 387395254 /nfs/dbraw/zinc/39/52/54/387395254.db2.gz CJGNCELFTQJJCI-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CC(C)C[N@H+](CC1CCCCC1)C1CC1 ZINC000515548042 387395409 /nfs/dbraw/zinc/39/54/09/387395409.db2.gz DTHFIJWKQMFLDP-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515548309 387395916 /nfs/dbraw/zinc/39/59/16/387395916.db2.gz QAQXBHMIABRSCR-KKUMJFAQSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515548310 387395369 /nfs/dbraw/zinc/39/53/69/387395369.db2.gz QAQXBHMIABRSCR-RRFJBIMHSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515548311 387395153 /nfs/dbraw/zinc/39/51/53/387395153.db2.gz QAQXBHMIABRSCR-SOUVJXGZSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515548312 387395500 /nfs/dbraw/zinc/39/55/00/387395500.db2.gz QAQXBHMIABRSCR-ZNMIVQPWSA-N 1 0 221.388 3.853 20 0 BHADRO CC[N@@H+](Cc1c(F)cccc1Cl)CC(C)C ZINC000515548677 387395973 /nfs/dbraw/zinc/39/59/73/387395973.db2.gz VCYJFWALXKKYPW-UHFFFAOYSA-N 1 0 243.753 3.957 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1 ZINC000515549132 387395171 /nfs/dbraw/zinc/39/51/71/387395171.db2.gz CECJOHDJOQOHBQ-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CC(C)C[N@H+](CCCOc1ccccc1)C1CC1 ZINC000515549146 387395478 /nfs/dbraw/zinc/39/54/78/387395478.db2.gz FWIPVHOZTHVQBN-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](CC(C)C)C2CC2)c1 ZINC000515549329 387395330 /nfs/dbraw/zinc/39/53/30/387395330.db2.gz PKTAISBPDAPVRN-UHFFFAOYSA-N 1 0 231.383 3.924 20 0 BHADRO CC[N@H+](CCCOc1cc(C)cc(C)c1)C(C)C ZINC000515550688 387395224 /nfs/dbraw/zinc/39/52/24/387395224.db2.gz APVIZJMUYJBCIN-UHFFFAOYSA-N 1 0 249.398 3.803 20 0 BHADRO CC[N@H+](Cc1cc(C)ccc1C)C(C)C ZINC000515550876 387395355 /nfs/dbraw/zinc/39/53/55/387395355.db2.gz SUSSFFAZSRKVCG-UHFFFAOYSA-N 1 0 205.345 3.534 20 0 BHADRO CSC1(C[N@H+](C)Cc2cc(C)ccc2C)CC1 ZINC000515556506 387397576 /nfs/dbraw/zinc/39/75/76/387397576.db2.gz KKPVJKLFJIDPJV-UHFFFAOYSA-N 1 0 249.423 3.631 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000515627599 387405411 /nfs/dbraw/zinc/40/54/11/387405411.db2.gz RDUGEUNZXYFPKY-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000515627600 387404000 /nfs/dbraw/zinc/40/40/00/387404000.db2.gz RDUGEUNZXYFPKY-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000515702279 387418597 /nfs/dbraw/zinc/41/85/97/387418597.db2.gz DFKJIEOPDXPOAA-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000515702280 387417559 /nfs/dbraw/zinc/41/75/59/387417559.db2.gz DFKJIEOPDXPOAA-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000515702281 387418449 /nfs/dbraw/zinc/41/84/49/387418449.db2.gz DFKJIEOPDXPOAA-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000515702282 387418194 /nfs/dbraw/zinc/41/81/94/387418194.db2.gz DFKJIEOPDXPOAA-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000515702360 387417930 /nfs/dbraw/zinc/41/79/30/387417930.db2.gz HBPVYKUKFSBODG-BFHYXJOUSA-N 1 0 243.435 3.994 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000515702361 387417951 /nfs/dbraw/zinc/41/79/51/387417951.db2.gz HBPVYKUKFSBODG-IHRRRGAJSA-N 1 0 243.435 3.994 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000515702362 256753835 /nfs/dbraw/zinc/75/38/35/256753835.db2.gz HBPVYKUKFSBODG-MELADBBJSA-N 1 0 243.435 3.994 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000515702363 387417567 /nfs/dbraw/zinc/41/75/67/387417567.db2.gz HBPVYKUKFSBODG-MJBXVCDLSA-N 1 0 243.435 3.994 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CC1(SC)CC1 ZINC000515710517 387417265 /nfs/dbraw/zinc/41/72/65/387417265.db2.gz PBIVARYBGNOKCB-GFCCVEGCSA-N 1 0 227.417 3.537 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CC1(SC)CC1 ZINC000515710518 387418044 /nfs/dbraw/zinc/41/80/44/387418044.db2.gz PBIVARYBGNOKCB-LBPRGKRZSA-N 1 0 227.417 3.537 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)c1ncccc1C ZINC000515714229 387419896 /nfs/dbraw/zinc/41/98/96/387419896.db2.gz ACUBRBUMSDDIOB-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO CC(C)C(C)(C)[NH2+]CCCCOc1ccccc1 ZINC000515720872 387419171 /nfs/dbraw/zinc/41/91/71/387419171.db2.gz WOHJMCQRWHGYFB-UHFFFAOYSA-N 1 0 249.398 3.870 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000515743694 387419323 /nfs/dbraw/zinc/41/93/23/387419323.db2.gz YVPNHKFWLNDXEO-INIZCTEOSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000515743695 387419990 /nfs/dbraw/zinc/41/99/90/387419990.db2.gz YVPNHKFWLNDXEO-MRXNPFEDSA-N 1 0 247.357 3.980 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CC(C)C)c(C)c1 ZINC000515770437 387423300 /nfs/dbraw/zinc/42/33/00/387423300.db2.gz XKMAHADJLQTQNG-AWEZNQCLSA-N 1 0 219.372 3.952 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CC(C)C)c(C)c1 ZINC000515770438 387423282 /nfs/dbraw/zinc/42/32/82/387423282.db2.gz XKMAHADJLQTQNG-CQSZACIVSA-N 1 0 219.372 3.952 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(C)C ZINC000515770543 387423292 /nfs/dbraw/zinc/42/32/92/387423292.db2.gz IHFAEZHARCCEKQ-CYBMUJFWSA-N 1 0 205.345 3.644 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+](C)CC(C)C ZINC000515770544 387423786 /nfs/dbraw/zinc/42/37/86/387423786.db2.gz IHFAEZHARCCEKQ-ZDUSSCGKSA-N 1 0 205.345 3.644 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000515771171 387422665 /nfs/dbraw/zinc/42/26/65/387422665.db2.gz KXSQRDFEZVMWHM-CYBMUJFWSA-N 1 0 205.345 3.706 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000515771172 387423446 /nfs/dbraw/zinc/42/34/46/387423446.db2.gz KXSQRDFEZVMWHM-ZDUSSCGKSA-N 1 0 205.345 3.706 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000515779740 256755940 /nfs/dbraw/zinc/75/59/40/256755940.db2.gz AKCLPRJIAHLTKB-HNNXBMFYSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000515779741 387423978 /nfs/dbraw/zinc/42/39/78/387423978.db2.gz AKCLPRJIAHLTKB-OAHLLOKOSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)CCOCC[N@H+](C)CC1CCCCC1 ZINC000515781055 398212544 /nfs/dbraw/zinc/21/25/44/398212544.db2.gz CHHSJMIDWOBCMD-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CCCCOCC[N@H+](CCC)Cc1ccccc1 ZINC000515781610 398212534 /nfs/dbraw/zinc/21/25/34/398212534.db2.gz KSYVWCMVFKIDBM-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C1CC1)C(F)(F)F ZINC000515802191 387428241 /nfs/dbraw/zinc/42/82/41/387428241.db2.gz UIFSBDSTHTYLLF-GHMZBOCLSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1C1CC1)C(F)(F)F ZINC000515802192 387428842 /nfs/dbraw/zinc/42/88/42/387428842.db2.gz UIFSBDSTHTYLLF-MNOVXSKESA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@H]1C1CC1)C(F)(F)F ZINC000515802193 387428813 /nfs/dbraw/zinc/42/88/13/387428813.db2.gz UIFSBDSTHTYLLF-QWRGUYRKSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1C1CC1)C(F)(F)F ZINC000515802194 387429478 /nfs/dbraw/zinc/42/94/78/387429478.db2.gz UIFSBDSTHTYLLF-WDEREUQCSA-N 1 0 249.320 3.743 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000515844113 387433482 /nfs/dbraw/zinc/43/34/82/387433482.db2.gz OQXIMLBRWSKRRU-KBXIAJHMSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000515844114 259499136 /nfs/dbraw/zinc/49/91/36/259499136.db2.gz OQXIMLBRWSKRRU-TUVASFSCSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000515844115 387433394 /nfs/dbraw/zinc/43/33/94/387433394.db2.gz OQXIMLBRWSKRRU-XGUBFFRZSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000515844116 259499155 /nfs/dbraw/zinc/49/91/55/259499155.db2.gz OQXIMLBRWSKRRU-YJNKXOJESA-N 1 0 239.378 3.826 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccccc1F ZINC000515844218 387432808 /nfs/dbraw/zinc/43/28/08/387432808.db2.gz UPWGUZUSISRSAM-QJPTWQEYSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccccc1F ZINC000515844219 387433617 /nfs/dbraw/zinc/43/36/17/387433617.db2.gz UPWGUZUSISRSAM-SDDRHHMPSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccccc1F ZINC000515844220 387433078 /nfs/dbraw/zinc/43/30/78/387433078.db2.gz UPWGUZUSISRSAM-SRVKXCTJSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccccc1F ZINC000515844221 387433100 /nfs/dbraw/zinc/43/31/00/387433100.db2.gz UPWGUZUSISRSAM-TUAOUCFPSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+]C(C)(C)C(C)(C)C)CCO1 ZINC000515885288 256758703 /nfs/dbraw/zinc/75/87/03/256758703.db2.gz NVWUFSMIWKFEMJ-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@H](C[NH2+]C(C)(C)C(C)(C)C)CCO1 ZINC000515885289 387435848 /nfs/dbraw/zinc/43/58/48/387435848.db2.gz NVWUFSMIWKFEMJ-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)C(C)(C)C)CCO1 ZINC000515885290 387434936 /nfs/dbraw/zinc/43/49/36/387434936.db2.gz NVWUFSMIWKFEMJ-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]1C[C@@H](C[NH2+]C(C)(C)C(C)(C)C)CCO1 ZINC000515885291 387435577 /nfs/dbraw/zinc/43/55/77/387435577.db2.gz NVWUFSMIWKFEMJ-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)cc1F)CC(C)C ZINC000515891337 411278340 /nfs/dbraw/zinc/27/83/40/411278340.db2.gz IPDRZUAQOYKSSM-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(SC)s1 ZINC000515929720 411278293 /nfs/dbraw/zinc/27/82/93/411278293.db2.gz ZTQHQLKCJVNYRF-SECBINFHSA-N 1 0 229.414 3.700 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(SC)s1 ZINC000515929721 411278358 /nfs/dbraw/zinc/27/83/58/411278358.db2.gz ZTQHQLKCJVNYRF-VIFPVBQESA-N 1 0 229.414 3.700 20 0 BHADRO Cc1cnccc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000515983023 256761474 /nfs/dbraw/zinc/76/14/74/256761474.db2.gz NDINVNUNILCGGY-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000516096645 387457199 /nfs/dbraw/zinc/45/71/99/387457199.db2.gz GAPIRQVSSHQTQK-BPUTZDHNSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000516096649 387457448 /nfs/dbraw/zinc/45/74/48/387457448.db2.gz GAPIRQVSSHQTQK-KBMXLJTQSA-N 1 0 231.383 3.816 20 0 BHADRO CC[N@H+](Cc1c[nH]c2ccccc12)CC1(C)CC1 ZINC000516133544 487643044 /nfs/dbraw/zinc/64/30/44/487643044.db2.gz UHFPCSDVAICYLH-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCCCCF)C1 ZINC000516169246 387474950 /nfs/dbraw/zinc/47/49/50/387474950.db2.gz JCZKTTBVTPWGDG-CYBMUJFWSA-N 1 0 215.356 3.638 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCCCCF)C1 ZINC000516169248 387474973 /nfs/dbraw/zinc/47/49/73/387474973.db2.gz JCZKTTBVTPWGDG-ZDUSSCGKSA-N 1 0 215.356 3.638 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH+]1CC2(CCC2(F)F)C1 ZINC000516220939 387482673 /nfs/dbraw/zinc/48/26/73/387482673.db2.gz HWFIDHNBZPFXPK-NEPJUHHUSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH+]1CC2(CCC2(F)F)C1 ZINC000516220940 387482579 /nfs/dbraw/zinc/48/25/79/387482579.db2.gz HWFIDHNBZPFXPK-NWDGAFQWSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH+]1CC2(CCC2(F)F)C1 ZINC000516220941 256769888 /nfs/dbraw/zinc/76/98/88/256769888.db2.gz HWFIDHNBZPFXPK-RYUDHWBXSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH+]1CC2(CCC2(F)F)C1 ZINC000516220942 387481774 /nfs/dbraw/zinc/48/17/74/387481774.db2.gz HWFIDHNBZPFXPK-VXGBXAGGSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC1(C)CC1 ZINC000516231353 387486229 /nfs/dbraw/zinc/48/62/29/387486229.db2.gz GGSLTBAPAYZGSY-HNNXBMFYSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC1(C)CC1 ZINC000516231354 387486397 /nfs/dbraw/zinc/48/63/97/387486397.db2.gz GGSLTBAPAYZGSY-OAHLLOKOSA-N 1 0 231.383 3.740 20 0 BHADRO CC1(F)CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000516241988 387485907 /nfs/dbraw/zinc/48/59/07/387485907.db2.gz LIBYTEKLWKWQJX-UHFFFAOYSA-N 1 0 243.272 3.604 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2CF)c(C)c1 ZINC000516259882 387491049 /nfs/dbraw/zinc/49/10/49/387491049.db2.gz QWLQSLHCGYDXNI-AWEZNQCLSA-N 1 0 235.346 3.546 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CF)c(C)c1 ZINC000516259883 387490746 /nfs/dbraw/zinc/49/07/46/387490746.db2.gz QWLQSLHCGYDXNI-CQSZACIVSA-N 1 0 235.346 3.546 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000516264705 256771885 /nfs/dbraw/zinc/77/18/85/256771885.db2.gz OUUVIMLQXCWUOF-BSWAZPDLSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000516264706 256771833 /nfs/dbraw/zinc/77/18/33/256771833.db2.gz OUUVIMLQXCWUOF-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000516264707 387491099 /nfs/dbraw/zinc/49/10/99/387491099.db2.gz OUUVIMLQXCWUOF-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000516264708 387490985 /nfs/dbraw/zinc/49/09/85/387490985.db2.gz OUUVIMLQXCWUOF-QSPRXWTASA-N 1 0 243.394 3.958 20 0 BHADRO CCC1CC([NH2+]CCCOc2ccccc2C)C1 ZINC000516266076 387490913 /nfs/dbraw/zinc/49/09/13/387490913.db2.gz IIZYSQHJUIJMKJ-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000516301232 387498058 /nfs/dbraw/zinc/49/80/58/387498058.db2.gz OSZLKCWQAHCXMS-BBRMVZONSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000516301233 256772953 /nfs/dbraw/zinc/77/29/53/256772953.db2.gz OSZLKCWQAHCXMS-CJNGLKHVSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000516301234 387497758 /nfs/dbraw/zinc/49/77/58/387497758.db2.gz OSZLKCWQAHCXMS-CZUORRHYSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000516301235 256773587 /nfs/dbraw/zinc/77/35/87/256773587.db2.gz OSZLKCWQAHCXMS-XJKSGUPXSA-N 1 0 249.373 3.654 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)[C@@H]1C ZINC000516320012 387498125 /nfs/dbraw/zinc/49/81/25/387498125.db2.gz JPZLMBFCUDQAKW-CHWSQXEVSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)[C@H]1C ZINC000516320018 387491790 /nfs/dbraw/zinc/49/17/90/387491790.db2.gz JPZLMBFCUDQAKW-OLZOCXBDSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000516320019 387493227 /nfs/dbraw/zinc/49/32/27/387493227.db2.gz JPZLMBFCUDQAKW-QWHCGFSZSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)[C@H]1C ZINC000516320022 387492366 /nfs/dbraw/zinc/49/23/66/387492366.db2.gz JPZLMBFCUDQAKW-STQMWFEESA-N 1 0 225.335 3.680 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000516327160 387500294 /nfs/dbraw/zinc/50/02/94/387500294.db2.gz SCUOYERDQRGHPQ-UHFFFAOYSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)[N@H+](C[C@H]1C[C@H]1C)C1CCCCC1 ZINC000516498629 324117580 /nfs/dbraw/zinc/11/75/80/324117580.db2.gz MDRLSZOJGGTFQG-CHWSQXEVSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)[N@H+](C[C@@H]1C[C@H]1C)C1CCCCC1 ZINC000516498630 324117673 /nfs/dbraw/zinc/11/76/73/324117673.db2.gz MDRLSZOJGGTFQG-OLZOCXBDSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)[N@H+](C[C@H]1C[C@@H]1C)C1CCCCC1 ZINC000516498753 324117808 /nfs/dbraw/zinc/11/78/08/324117808.db2.gz MDRLSZOJGGTFQG-QWHCGFSZSA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)[N@H+](C[C@@H]1C[C@@H]1C)C1CCCCC1 ZINC000516498754 324117792 /nfs/dbraw/zinc/11/77/92/324117792.db2.gz MDRLSZOJGGTFQG-STQMWFEESA-N 1 0 209.377 3.686 20 0 BHADRO CCc1cnc(C[N@@H+](CC)C(CC)CC)s1 ZINC000516514297 387519378 /nfs/dbraw/zinc/51/93/78/387519378.db2.gz OJTRUUXNDAWYRB-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC1(COC)CCC1 ZINC000516541487 387520726 /nfs/dbraw/zinc/52/07/26/387520726.db2.gz BJSSZYWTPSHYMD-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC1(COC)CCC1 ZINC000516541488 387520991 /nfs/dbraw/zinc/52/09/91/387520991.db2.gz BJSSZYWTPSHYMD-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000516569461 388349060 /nfs/dbraw/zinc/34/90/60/388349060.db2.gz OZKBGSUQHLVITM-KBPBESRZSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000516569462 388348968 /nfs/dbraw/zinc/34/89/68/388348968.db2.gz OZKBGSUQHLVITM-KGLIPLIRSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000516569463 388349079 /nfs/dbraw/zinc/34/90/79/388349079.db2.gz OZKBGSUQHLVITM-UONOGXRCSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000516569464 388349360 /nfs/dbraw/zinc/34/93/60/388349360.db2.gz OZKBGSUQHLVITM-ZIAGYGMSSA-N 1 0 247.313 3.803 20 0 BHADRO CCC[N@H+](Cc1cnc(C2CC2)s1)C(C)C ZINC000516584270 388358272 /nfs/dbraw/zinc/35/82/72/388358272.db2.gz UNNCAIUVBGHEIG-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000516592600 388364999 /nfs/dbraw/zinc/36/49/99/388364999.db2.gz DVOLEIVSQVGCLW-BACDZXNISA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000516592601 388364358 /nfs/dbraw/zinc/36/43/58/388364358.db2.gz DVOLEIVSQVGCLW-BHUNQDJPSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000516592602 388364917 /nfs/dbraw/zinc/36/49/17/388364917.db2.gz DVOLEIVSQVGCLW-GQGLESIBSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000516592603 388364859 /nfs/dbraw/zinc/36/48/59/388364859.db2.gz DVOLEIVSQVGCLW-SJJHQCBESA-N 1 0 241.378 3.711 20 0 BHADRO FC1(F)CCC12C[NH+](CC1CCCCCC1)C2 ZINC000516609504 388390368 /nfs/dbraw/zinc/39/03/68/388390368.db2.gz PILNEWUKAXZCER-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)c1ccc(F)cc1 ZINC000516618102 256797331 /nfs/dbraw/zinc/79/73/31/256797331.db2.gz RLEYGGRQVDOPBQ-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000516618103 256797347 /nfs/dbraw/zinc/79/73/47/256797347.db2.gz RLEYGGRQVDOPBQ-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO Cc1cnccc1C[NH2+]CCCCC(C)(C)C ZINC000516621558 256798035 /nfs/dbraw/zinc/79/80/35/256798035.db2.gz MEKWWWBELOCCOS-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000516648073 259367965 /nfs/dbraw/zinc/36/79/65/259367965.db2.gz KEVCPQYVGADVMK-GDBMZVCRSA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000516648074 259367982 /nfs/dbraw/zinc/36/79/82/259367982.db2.gz KEVCPQYVGADVMK-GOEBONIOSA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000516648075 259368088 /nfs/dbraw/zinc/36/80/88/259368088.db2.gz KEVCPQYVGADVMK-HOCLYGCPSA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000516648076 259368076 /nfs/dbraw/zinc/36/80/76/259368076.db2.gz KEVCPQYVGADVMK-ZBFHGGJFSA-N 1 0 246.398 3.553 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC1(F)CCC1 ZINC000516654786 398131381 /nfs/dbraw/zinc/13/13/81/398131381.db2.gz LJBJBGUCWWSGBZ-KBPBESRZSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC1(F)CCC1 ZINC000516654787 323585910 /nfs/dbraw/zinc/58/59/10/323585910.db2.gz LJBJBGUCWWSGBZ-KGLIPLIRSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC1(F)CCC1 ZINC000516654788 323585905 /nfs/dbraw/zinc/58/59/05/323585905.db2.gz LJBJBGUCWWSGBZ-UONOGXRCSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC1(F)CCC1 ZINC000516654789 387303188 /nfs/dbraw/zinc/30/31/88/387303188.db2.gz LJBJBGUCWWSGBZ-ZIAGYGMSSA-N 1 0 239.378 3.851 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cccs1 ZINC000516658093 256800125 /nfs/dbraw/zinc/80/01/25/256800125.db2.gz DHIDPERRDWOXGB-UHFFFAOYSA-N 1 0 211.374 3.759 20 0 BHADRO c1cc2c(o1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000516678898 388513972 /nfs/dbraw/zinc/51/39/72/388513972.db2.gz FZLZJAYFDNLVCL-UHFFFAOYSA-N 1 0 233.355 3.608 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc2cccnc2o1)C(C)(C)C ZINC000516710239 388514724 /nfs/dbraw/zinc/51/47/24/388514724.db2.gz IJUZYAYOILLKHY-LLVKDONJSA-N 1 0 246.354 3.694 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc2cccnc2o1)C(C)(C)C ZINC000516710240 388515134 /nfs/dbraw/zinc/51/51/34/388515134.db2.gz IJUZYAYOILLKHY-NSHDSACASA-N 1 0 246.354 3.694 20 0 BHADRO CC(C)=CC[N@H+](Cc1cccs1)C(C)C ZINC000516745552 388515104 /nfs/dbraw/zinc/51/51/04/388515104.db2.gz WBZGGQSWWPPLOX-UHFFFAOYSA-N 1 0 223.385 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000516751986 388516327 /nfs/dbraw/zinc/51/63/27/388516327.db2.gz GZPZCFSXHNCGBC-AKSVOJBYSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000516751987 388515431 /nfs/dbraw/zinc/51/54/31/388515431.db2.gz GZPZCFSXHNCGBC-VLVIQNCWSA-N 1 0 247.357 3.659 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000516859472 388520583 /nfs/dbraw/zinc/52/05/83/388520583.db2.gz UHFZGOBNUAJIHC-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000516859473 388519535 /nfs/dbraw/zinc/51/95/35/388519535.db2.gz UHFZGOBNUAJIHC-LJISPDSOSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000516859474 256803505 /nfs/dbraw/zinc/80/35/05/256803505.db2.gz UHFZGOBNUAJIHC-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000516859475 388520159 /nfs/dbraw/zinc/52/01/59/388520159.db2.gz UHFZGOBNUAJIHC-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000516873513 256804790 /nfs/dbraw/zinc/80/47/90/256804790.db2.gz FJYNIXHSDVBLCK-ILXRZTDVSA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000516873514 388522713 /nfs/dbraw/zinc/52/27/13/388522713.db2.gz FJYNIXHSDVBLCK-KFWWJZLASA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000516873515 388522120 /nfs/dbraw/zinc/52/21/20/388522120.db2.gz FJYNIXHSDVBLCK-KKUMJFAQSA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000516873516 256804776 /nfs/dbraw/zinc/80/47/76/256804776.db2.gz FJYNIXHSDVBLCK-ZNMIVQPWSA-N 1 0 235.346 3.864 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516894971 388522197 /nfs/dbraw/zinc/52/21/97/388522197.db2.gz ZSRYDBLJFJLRAK-FIQHERPVSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516894972 256804992 /nfs/dbraw/zinc/80/49/92/256804992.db2.gz ZSRYDBLJFJLRAK-KKOKHZNYSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516894973 388523705 /nfs/dbraw/zinc/52/37/05/388523705.db2.gz ZSRYDBLJFJLRAK-KXNHARMFSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516894974 388523910 /nfs/dbraw/zinc/52/39/10/388523910.db2.gz ZSRYDBLJFJLRAK-WHOHXGKFSA-N 1 0 249.320 3.695 20 0 BHADRO c1cc2c(cc1C[NH+]1C3CCC1CC3)CCCC2 ZINC000516903694 256805987 /nfs/dbraw/zinc/80/59/87/256805987.db2.gz PIOYZCZNFLNWMZ-UHFFFAOYSA-N 1 0 241.378 3.692 20 0 BHADRO CC[C@H]([NH2+]CC1(COC)CCCCC1)C(C)C ZINC000516919528 388524931 /nfs/dbraw/zinc/52/49/31/388524931.db2.gz NOHLQDOPLCADFI-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC1(COC)CCCCC1)C(C)C ZINC000516919529 388524721 /nfs/dbraw/zinc/52/47/21/388524721.db2.gz NOHLQDOPLCADFI-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000516931887 384417692 /nfs/dbraw/zinc/41/76/92/384417692.db2.gz SVQSXSVKZRDQJN-WCQGTBRESA-N 1 0 243.272 3.520 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+]1[C@H](C)C[C@@H]1C ZINC000516944695 388527737 /nfs/dbraw/zinc/52/77/37/388527737.db2.gz UNOIWKKSJVWMIU-AXFHLTTASA-N 1 0 223.747 3.884 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+]1[C@H](C)C[C@@H]1C ZINC000516944698 388527587 /nfs/dbraw/zinc/52/75/87/388527587.db2.gz UNOIWKKSJVWMIU-OUAUKWLOSA-N 1 0 223.747 3.884 20 0 BHADRO C[N@H+](Cc1ccc(F)c(Cl)c1)CC1(C)CC1 ZINC000516946404 388527644 /nfs/dbraw/zinc/52/76/44/388527644.db2.gz TYUYHSZITNALBT-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[NH+](CC)Cc1ccc(NCC2(C)CC2)cc1 ZINC000516954090 388527287 /nfs/dbraw/zinc/52/72/87/388527287.db2.gz RQMIOHSZURMKNX-UHFFFAOYSA-N 1 0 246.398 3.740 20 0 BHADRO Cc1cnccc1CC[N@@H+](C(C)C)C1CCCC1 ZINC000516966876 388528609 /nfs/dbraw/zinc/52/86/09/388528609.db2.gz DWCDMWNCJHMMBL-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO Cc1ccnc([C@H]2CC[N@@H+](CCCC(C)C)C2)c1 ZINC000516978078 388529819 /nfs/dbraw/zinc/52/98/19/388529819.db2.gz AHGUZXMGFUXSPB-HNNXBMFYSA-N 1 0 246.398 3.616 20 0 BHADRO Cc1ccnc([C@@H]2CC[N@@H+](CCCC(C)C)C2)c1 ZINC000516978079 388529863 /nfs/dbraw/zinc/52/98/63/388529863.db2.gz AHGUZXMGFUXSPB-OAHLLOKOSA-N 1 0 246.398 3.616 20 0 BHADRO CCCOC1(C[NH2+][C@H](C)C2CC2)CCCCC1 ZINC000516997208 388530761 /nfs/dbraw/zinc/53/07/61/388530761.db2.gz BZKJWYRFZKFYKD-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCOC1(C[NH2+][C@@H](C)C2CC2)CCCCC1 ZINC000516997210 388531157 /nfs/dbraw/zinc/53/11/57/388531157.db2.gz BZKJWYRFZKFYKD-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccsc1 ZINC000516997323 388530978 /nfs/dbraw/zinc/53/09/78/388530978.db2.gz DVZMOUCXPCLYMH-CMPLNLGQSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccsc1 ZINC000516997326 388530961 /nfs/dbraw/zinc/53/09/61/388530961.db2.gz DVZMOUCXPCLYMH-JQWIXIFHSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccsc1 ZINC000516997327 388530891 /nfs/dbraw/zinc/53/08/91/388530891.db2.gz DVZMOUCXPCLYMH-PWSUYJOCSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccsc1 ZINC000516997329 388530876 /nfs/dbraw/zinc/53/08/76/388530876.db2.gz DVZMOUCXPCLYMH-ZYHUDNBSSA-N 1 0 209.358 3.511 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC(C)(C)C[C@H]2C)o1 ZINC000517007945 388530869 /nfs/dbraw/zinc/53/08/69/388530869.db2.gz PCPVXBNAWFBYJO-BXUZGUMPSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC(C)(C)C[C@@H]2C)o1 ZINC000517007946 256811281 /nfs/dbraw/zinc/81/12/81/256811281.db2.gz PCPVXBNAWFBYJO-FZMZJTMJSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC(C)(C)C[C@H]2C)o1 ZINC000517007947 388530801 /nfs/dbraw/zinc/53/08/01/388530801.db2.gz PCPVXBNAWFBYJO-RISCZKNCSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)o1 ZINC000517007948 388530872 /nfs/dbraw/zinc/53/08/72/388530872.db2.gz PCPVXBNAWFBYJO-SMDDNHRTSA-N 1 0 235.371 3.545 20 0 BHADRO CCOC1CC(CC[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000517012083 388531920 /nfs/dbraw/zinc/53/19/20/388531920.db2.gz ZRDJEFLQMNMUNU-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(CC[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000517012086 388532696 /nfs/dbraw/zinc/53/26/96/388532696.db2.gz ZRDJEFLQMNMUNU-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO C[N@H+](CC1(F)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000517015906 388532170 /nfs/dbraw/zinc/53/21/70/388532170.db2.gz SDDCQISANNNQQF-CABCVRRESA-N 1 0 247.357 3.757 20 0 BHADRO C[N@H+](CC1(F)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000517015907 388531888 /nfs/dbraw/zinc/53/18/88/388531888.db2.gz SDDCQISANNNQQF-GJZGRUSLSA-N 1 0 247.357 3.757 20 0 BHADRO C[N@H+](CC1(F)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000517015908 388532734 /nfs/dbraw/zinc/53/27/34/388532734.db2.gz SDDCQISANNNQQF-HUUCEWRRSA-N 1 0 247.357 3.757 20 0 BHADRO C[N@H+](CC1(F)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000517015909 388532717 /nfs/dbraw/zinc/53/27/17/388532717.db2.gz SDDCQISANNNQQF-LSDHHAIUSA-N 1 0 247.357 3.757 20 0 BHADRO CCC[C@@H]([NH2+]CCC1(COC)CC1)C(C)(C)C ZINC000517029752 388533098 /nfs/dbraw/zinc/53/30/98/388533098.db2.gz FYFTXGQGPCWRGB-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]CCC1(COC)CC1)C(C)(C)C ZINC000517029753 388533647 /nfs/dbraw/zinc/53/36/47/388533647.db2.gz FYFTXGQGPCWRGB-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000517037778 388534415 /nfs/dbraw/zinc/53/44/15/388534415.db2.gz OCHVVGBXNDOTOD-DZGCQCFKSA-N 1 0 237.362 3.764 20 0 BHADRO CC(C)[C@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000517037779 388534714 /nfs/dbraw/zinc/53/47/14/388534714.db2.gz OCHVVGBXNDOTOD-HIFRSBDPSA-N 1 0 237.362 3.764 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000517037780 388534912 /nfs/dbraw/zinc/53/49/12/388534912.db2.gz OCHVVGBXNDOTOD-UKRRQHHQSA-N 1 0 237.362 3.764 20 0 BHADRO CC(C)[C@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000517037781 388534915 /nfs/dbraw/zinc/53/49/15/388534915.db2.gz OCHVVGBXNDOTOD-ZFWWWQNUSA-N 1 0 237.362 3.764 20 0 BHADRO CCC[N@H+](C(C)C)[C@H](C)Cc1ccsc1 ZINC000517041401 388535629 /nfs/dbraw/zinc/53/56/29/388535629.db2.gz QGMSJQQXBOQWJZ-GFCCVEGCSA-N 1 0 225.401 3.800 20 0 BHADRO CCC[N@H+](C(C)C)[C@@H](C)Cc1ccsc1 ZINC000517041402 388535711 /nfs/dbraw/zinc/53/57/11/388535711.db2.gz QGMSJQQXBOQWJZ-LBPRGKRZSA-N 1 0 225.401 3.800 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000517041745 388536067 /nfs/dbraw/zinc/53/60/67/388536067.db2.gz FCCFWDBPSZDIOA-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000517041747 388536205 /nfs/dbraw/zinc/53/62/05/388536205.db2.gz FCCFWDBPSZDIOA-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1c([C@@H](C)[NH2+]C2CC(C)(C)C2)cnn1C(C)C ZINC000517042023 256812768 /nfs/dbraw/zinc/81/27/68/256812768.db2.gz JDBGMCRERRFVOB-LLVKDONJSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+]C2CC(C)(C)C2)cnn1C(C)C ZINC000517042024 388536202 /nfs/dbraw/zinc/53/62/02/388536202.db2.gz JDBGMCRERRFVOB-NSHDSACASA-N 1 0 249.402 3.612 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000517043753 256812860 /nfs/dbraw/zinc/81/28/60/256812860.db2.gz UMLZZCSYITXXEH-SNPRPXQTSA-N 1 0 229.367 3.568 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)C[C@@H]1CCOC1 ZINC000517044040 388536045 /nfs/dbraw/zinc/53/60/45/388536045.db2.gz HNAALPSRQCEYOV-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)C[C@@H]1CCOC1 ZINC000517044041 388536392 /nfs/dbraw/zinc/53/63/92/388536392.db2.gz HNAALPSRQCEYOV-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)C[C@H]1CCOC1 ZINC000517044042 388535551 /nfs/dbraw/zinc/53/55/51/388535551.db2.gz HNAALPSRQCEYOV-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)C[C@H]1CCOC1 ZINC000517044043 388536025 /nfs/dbraw/zinc/53/60/25/388536025.db2.gz HNAALPSRQCEYOV-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO c1nc(C2CC2)sc1C[N@@H+]1CCCC12CCC2 ZINC000517070133 388537706 /nfs/dbraw/zinc/53/77/06/388537706.db2.gz NROPQYBYRIPJHR-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO CC[N@H+](CCc1ccccc1Cl)C(C)C ZINC000517093730 388538667 /nfs/dbraw/zinc/53/86/67/388538667.db2.gz ZRBIEGXMHQGJPM-UHFFFAOYSA-N 1 0 225.763 3.613 20 0 BHADRO CCCCOCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000517122689 388538876 /nfs/dbraw/zinc/53/88/76/388538876.db2.gz YYMNXQWETDDWSM-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCOCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000517122691 388538090 /nfs/dbraw/zinc/53/80/90/388538090.db2.gz YYMNXQWETDDWSM-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCOCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000517122692 388538268 /nfs/dbraw/zinc/53/82/68/388538268.db2.gz YYMNXQWETDDWSM-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CCCCOCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000517122693 256815656 /nfs/dbraw/zinc/81/56/56/256815656.db2.gz YYMNXQWETDDWSM-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)[N@H+](Cc1cnc(C)s1)C1CC1 ZINC000517124333 388538076 /nfs/dbraw/zinc/53/80/76/388538076.db2.gz CHFSJISXLBOHBA-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)c(F)c1)C(C)(C)C ZINC000517148504 388539204 /nfs/dbraw/zinc/53/92/04/388539204.db2.gz HDEGBLQBQORNIX-AATRIKPKSA-N 1 0 239.309 3.708 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)c(F)c1)C(C)(C)C ZINC000517148512 388539654 /nfs/dbraw/zinc/53/96/54/388539654.db2.gz HDEGBLQBQORNIX-WAYWQWQTSA-N 1 0 239.309 3.708 20 0 BHADRO Cc1ccnc([C@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC000517172651 388540818 /nfs/dbraw/zinc/54/08/18/388540818.db2.gz ZQXCNIDJDCCSIM-AWEZNQCLSA-N 1 0 246.398 3.616 20 0 BHADRO Cc1ccnc([C@@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC000517172652 388541147 /nfs/dbraw/zinc/54/11/47/388541147.db2.gz ZQXCNIDJDCCSIM-CQSZACIVSA-N 1 0 246.398 3.616 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)[C@@]1(C)CCCO1 ZINC000517187269 388541314 /nfs/dbraw/zinc/54/13/14/388541314.db2.gz ZLYIOQOAYRAYDE-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)[C@]1(C)CCCO1 ZINC000517187270 388540831 /nfs/dbraw/zinc/54/08/31/388540831.db2.gz ZLYIOQOAYRAYDE-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)[C@@]1(C)CCCO1 ZINC000517187271 388540361 /nfs/dbraw/zinc/54/03/61/388540361.db2.gz ZLYIOQOAYRAYDE-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)[C@]1(C)CCCO1 ZINC000517187272 388541031 /nfs/dbraw/zinc/54/10/31/388541031.db2.gz ZLYIOQOAYRAYDE-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1 ZINC000517205855 256818329 /nfs/dbraw/zinc/81/83/29/256818329.db2.gz OUKMFOHJMWUKHR-VNHYZAJKSA-N 1 0 235.371 3.541 20 0 BHADRO Cc1cc(COc2cc(C)[nH+]c(C)c2)c(C)s1 ZINC000517210482 388541899 /nfs/dbraw/zinc/54/18/99/388541899.db2.gz CPZSEJREYPNHQL-UHFFFAOYSA-N 1 0 247.363 3.956 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CC2(F)CC2)c(C)c1 ZINC000517211739 388541048 /nfs/dbraw/zinc/54/10/48/388541048.db2.gz LLASLSPJCAXXQJ-UHFFFAOYSA-N 1 0 249.373 3.673 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000517223285 256819367 /nfs/dbraw/zinc/81/93/67/256819367.db2.gz CHWUZCQFZYDJAP-GLQYFDAESA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000517223286 322826965 /nfs/dbraw/zinc/82/69/65/322826965.db2.gz CHWUZCQFZYDJAP-NILFDRSVSA-N 1 0 245.341 3.593 20 0 BHADRO Cc1nc2ccc(C[N@@H+](C)C(C)(C)C)cc2s1 ZINC000517236588 388544992 /nfs/dbraw/zinc/54/49/92/388544992.db2.gz CWOPBZQYIMJZTL-UHFFFAOYSA-N 1 0 248.395 3.835 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000517248952 388545676 /nfs/dbraw/zinc/54/56/76/388545676.db2.gz IRQRXDVQTKBJDG-CHWSQXEVSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000517248953 388546015 /nfs/dbraw/zinc/54/60/15/388546015.db2.gz IRQRXDVQTKBJDG-OLZOCXBDSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000517248954 388545857 /nfs/dbraw/zinc/54/58/57/388545857.db2.gz IRQRXDVQTKBJDG-QWHCGFSZSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000517248955 388545969 /nfs/dbraw/zinc/54/59/69/388545969.db2.gz IRQRXDVQTKBJDG-STQMWFEESA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000517253722 388546129 /nfs/dbraw/zinc/54/61/29/388546129.db2.gz PTCBDUGDOVXMSM-UHFFFAOYSA-N 1 0 245.288 3.628 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000517268069 256821806 /nfs/dbraw/zinc/82/18/06/256821806.db2.gz WCLOTPRJELWPGQ-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000517268070 388545741 /nfs/dbraw/zinc/54/57/41/388545741.db2.gz WCLOTPRJELWPGQ-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H](C[N@H+](C)CC1(C)CC1)c1ccccc1 ZINC000517271698 388546179 /nfs/dbraw/zinc/54/61/79/388546179.db2.gz KPAYVJOBZGFGKB-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[N@H+](C)CC1(C)CC1)c1ccccc1 ZINC000517271706 388546204 /nfs/dbraw/zinc/54/62/04/388546204.db2.gz KPAYVJOBZGFGKB-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000517284520 388547022 /nfs/dbraw/zinc/54/70/22/388547022.db2.gz DYORVVVIMGQMFO-NEPJUHHUSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000517284521 256823136 /nfs/dbraw/zinc/82/31/36/256823136.db2.gz DYORVVVIMGQMFO-NWDGAFQWSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000517284522 388546746 /nfs/dbraw/zinc/54/67/46/388546746.db2.gz DYORVVVIMGQMFO-RYUDHWBXSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000517284523 388547290 /nfs/dbraw/zinc/54/72/90/388547290.db2.gz DYORVVVIMGQMFO-VXGBXAGGSA-N 1 0 229.314 3.510 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000517323934 388546592 /nfs/dbraw/zinc/54/65/92/388546592.db2.gz DKGRZYNLLQMDGH-INIZCTEOSA-N 1 0 231.383 3.741 20 0 BHADRO CCCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000517323935 388546540 /nfs/dbraw/zinc/54/65/40/388546540.db2.gz DKGRZYNLLQMDGH-MRXNPFEDSA-N 1 0 231.383 3.741 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000517369951 383968652 /nfs/dbraw/zinc/96/86/52/383968652.db2.gz FDWCNRWHHSNGKY-AGIUHOORSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000517369955 256525027 /nfs/dbraw/zinc/52/50/27/256525027.db2.gz FDWCNRWHHSNGKY-FRRDWIJNSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000517369958 383966651 /nfs/dbraw/zinc/96/66/51/383966651.db2.gz FDWCNRWHHSNGKY-JHJVBQTASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000517369961 383966662 /nfs/dbraw/zinc/96/66/62/383966662.db2.gz FDWCNRWHHSNGKY-UPJWGTAASA-N 1 0 225.351 3.580 20 0 BHADRO C[C@]1([NH2+]CCCCCF)CCCc2ccccc21 ZINC000517401437 388549990 /nfs/dbraw/zinc/54/99/90/388549990.db2.gz JDTRPBLUIYDOBY-INIZCTEOSA-N 1 0 249.373 3.968 20 0 BHADRO C[C@@]1([NH2+]CCCCCF)CCCc2ccccc21 ZINC000517401439 388550133 /nfs/dbraw/zinc/55/01/33/388550133.db2.gz JDTRPBLUIYDOBY-MRXNPFEDSA-N 1 0 249.373 3.968 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC=C(C)CC1 ZINC000517404115 256825560 /nfs/dbraw/zinc/82/55/60/256825560.db2.gz KXIYZRWGFIQJBB-GHMZBOCLSA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC=C(C)CC1 ZINC000517404120 388550223 /nfs/dbraw/zinc/55/02/23/388550223.db2.gz KXIYZRWGFIQJBB-MNOVXSKESA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CC=C(C)CC1 ZINC000517404121 388549891 /nfs/dbraw/zinc/54/98/91/388549891.db2.gz KXIYZRWGFIQJBB-QWRGUYRKSA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC=C(C)CC1 ZINC000517404123 388549866 /nfs/dbraw/zinc/54/98/66/388549866.db2.gz KXIYZRWGFIQJBB-WDEREUQCSA-N 1 0 235.293 3.806 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](F)C2)c(C)c1 ZINC000517427900 388550002 /nfs/dbraw/zinc/55/00/02/388550002.db2.gz JNJAOXOHVIVOGC-KBPBESRZSA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](F)C2)c(C)c1 ZINC000517427903 388549936 /nfs/dbraw/zinc/54/99/36/388549936.db2.gz JNJAOXOHVIVOGC-KGLIPLIRSA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](F)C2)c(C)c1 ZINC000517427905 388549851 /nfs/dbraw/zinc/54/98/51/388549851.db2.gz JNJAOXOHVIVOGC-UONOGXRCSA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](F)C2)c(C)c1 ZINC000517427907 388550236 /nfs/dbraw/zinc/55/02/36/388550236.db2.gz JNJAOXOHVIVOGC-ZIAGYGMSSA-N 1 0 235.346 3.592 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000517453715 256825876 /nfs/dbraw/zinc/82/58/76/256825876.db2.gz VDBDPFFOAIISPF-BBWFWOEESA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000517453716 388550710 /nfs/dbraw/zinc/55/07/10/388550710.db2.gz VDBDPFFOAIISPF-GVDBMIGSSA-N 1 0 241.378 3.650 20 0 BHADRO C[N@H+](CC1(C)CC1)[C@H]1CCCc2ccccc21 ZINC000517473861 388550896 /nfs/dbraw/zinc/55/08/96/388550896.db2.gz AGVGYYQFSARULV-HNNXBMFYSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](CC1(C)CC1)[C@@H]1CCCc2ccccc21 ZINC000517473862 388551212 /nfs/dbraw/zinc/55/12/12/388551212.db2.gz AGVGYYQFSARULV-OAHLLOKOSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1C2CCC1CC2 ZINC000517518348 388551998 /nfs/dbraw/zinc/55/19/98/388551998.db2.gz OZZQAPIMSOGYOY-GCVQQVDUSA-N 1 0 237.293 3.653 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1C2CCC1CC2 ZINC000517518350 256826767 /nfs/dbraw/zinc/82/67/67/256826767.db2.gz OZZQAPIMSOGYOY-OIKLOGQESA-N 1 0 237.293 3.653 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000517527877 256827653 /nfs/dbraw/zinc/82/76/53/256827653.db2.gz VVSSLFFYYIRGLG-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000517527878 388552542 /nfs/dbraw/zinc/55/25/42/388552542.db2.gz VVSSLFFYYIRGLG-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000517527879 388552353 /nfs/dbraw/zinc/55/23/53/388552353.db2.gz VVSSLFFYYIRGLG-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000517527880 388551882 /nfs/dbraw/zinc/55/18/82/388551882.db2.gz VVSSLFFYYIRGLG-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCc1ccco1 ZINC000517542864 388552447 /nfs/dbraw/zinc/55/24/47/388552447.db2.gz RFAMGHMSIQRWTG-OWBHPGMISA-N 1 0 241.334 3.515 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCc1ccco1 ZINC000517542871 388552380 /nfs/dbraw/zinc/55/23/80/388552380.db2.gz RFAMGHMSIQRWTG-WYMLVPIESA-N 1 0 241.334 3.515 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H](CC)C(C)(C)C)c1 ZINC000517545790 388552498 /nfs/dbraw/zinc/55/24/98/388552498.db2.gz AGDLTGZDZASMDO-HNNXBMFYSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1cccc(C[NH2+][C@H](CC)C(C)(C)C)c1 ZINC000517545795 388552157 /nfs/dbraw/zinc/55/21/57/388552157.db2.gz AGDLTGZDZASMDO-OAHLLOKOSA-N 1 0 249.398 4.000 20 0 BHADRO CC(C)[C@H](Nc1ccc2c(c1)CCN2)C1CC1 ZINC000517553776 388553539 /nfs/dbraw/zinc/55/35/39/388553539.db2.gz VSZAGAUVCXXUPL-HNNXBMFYSA-N 1 0 230.355 3.501 20 0 BHADRO CC(C)[C@@H](Nc1ccc2c(c1)CCN2)C1CC1 ZINC000517553777 388553753 /nfs/dbraw/zinc/55/37/53/388553753.db2.gz VSZAGAUVCXXUPL-OAHLLOKOSA-N 1 0 230.355 3.501 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000517562370 256828181 /nfs/dbraw/zinc/82/81/81/256828181.db2.gz NMLWCCFAAGTHQJ-HUUCEWRRSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000517562371 388552974 /nfs/dbraw/zinc/55/29/74/388552974.db2.gz NMLWCCFAAGTHQJ-LSDHHAIUSA-N 1 0 247.382 3.555 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000517584493 388554788 /nfs/dbraw/zinc/55/47/88/388554788.db2.gz VOGCBVXVGNXINE-HNNXBMFYSA-N 1 0 246.398 3.697 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000517584494 388554268 /nfs/dbraw/zinc/55/42/68/388554268.db2.gz VOGCBVXVGNXINE-OAHLLOKOSA-N 1 0 246.398 3.697 20 0 BHADRO CCCC[N@H+](CCOC)Cc1cc(C)ccc1C ZINC000517597417 388556059 /nfs/dbraw/zinc/55/60/59/388556059.db2.gz OXBADXXJGVPACU-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO CCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000517607251 388555409 /nfs/dbraw/zinc/55/54/09/388555409.db2.gz KEAIDECUIYXLIG-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000517659152 411194724 /nfs/dbraw/zinc/19/47/24/411194724.db2.gz WSMWMWOIRHQHGE-CYBMUJFWSA-N 1 0 240.350 3.861 20 0 BHADRO C[C@H]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000517659155 411194507 /nfs/dbraw/zinc/19/45/07/411194507.db2.gz WSMWMWOIRHQHGE-ZDUSSCGKSA-N 1 0 240.350 3.861 20 0 BHADRO COc1cc(C[NH2+]C(C)(C)C(C)C)ccc1C ZINC000517677476 256831434 /nfs/dbraw/zinc/83/14/34/256831434.db2.gz JTEWAIDBSRUCKE-UHFFFAOYSA-N 1 0 235.371 3.528 20 0 BHADRO CCC(CC)[N@H+](Cc1ccncc1C)C1CC1 ZINC000517679977 398087651 /nfs/dbraw/zinc/08/76/51/398087651.db2.gz IWFYGWCLIYUBCP-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO C[N@H+](CC/C=C\c1ccccc1)C(C)(C)C ZINC000517738458 383872566 /nfs/dbraw/zinc/87/25/66/383872566.db2.gz SEXYFMUJLDQWLD-WQLSENKSSA-N 1 0 217.356 3.820 20 0 BHADRO C[N@H+](CC/C=C/c1ccccc1)C(C)(C)C ZINC000517738459 383871876 /nfs/dbraw/zinc/87/18/76/383871876.db2.gz SEXYFMUJLDQWLD-XYOKQWHBSA-N 1 0 217.356 3.820 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000517752675 322894233 /nfs/dbraw/zinc/89/42/33/322894233.db2.gz YKAOPORVNZFSBU-XQQFMLRXSA-N 1 0 239.309 3.689 20 0 BHADRO CCc1ccc(C[N@H+](C)CCCCCF)cc1 ZINC000517762697 259336716 /nfs/dbraw/zinc/33/67/16/259336716.db2.gz CSNRKFCKZZKIFJ-UHFFFAOYSA-N 1 0 237.362 3.821 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000517763087 259336704 /nfs/dbraw/zinc/33/67/04/259336704.db2.gz GWVNMXBGAQQBCG-HNNXBMFYSA-N 1 0 245.366 3.674 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000517763088 259336909 /nfs/dbraw/zinc/33/69/09/259336909.db2.gz GWVNMXBGAQQBCG-OAHLLOKOSA-N 1 0 245.366 3.674 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000517846114 384528781 /nfs/dbraw/zinc/52/87/81/384528781.db2.gz HCKQOQHNQLIDCA-INIZCTEOSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000517846123 384529104 /nfs/dbraw/zinc/52/91/04/384529104.db2.gz HCKQOQHNQLIDCA-MRXNPFEDSA-N 1 0 246.398 3.787 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000517964291 384595420 /nfs/dbraw/zinc/59/54/20/384595420.db2.gz AEKSXFTYMSUEBC-BTTYYORXSA-N 1 0 235.758 3.537 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCSC1CCCCC1 ZINC000517964636 256556751 /nfs/dbraw/zinc/55/67/51/256556751.db2.gz HEAGLTFIZFBZJT-RYUDHWBXSA-N 1 0 227.417 3.535 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCSC1CCCCC1 ZINC000517964637 384595699 /nfs/dbraw/zinc/59/56/99/384595699.db2.gz HEAGLTFIZFBZJT-TXEJJXNPSA-N 1 0 227.417 3.535 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCSC1CCCCC1 ZINC000517964638 384596016 /nfs/dbraw/zinc/59/60/16/384596016.db2.gz HEAGLTFIZFBZJT-VXGBXAGGSA-N 1 0 227.417 3.535 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000518199491 384793382 /nfs/dbraw/zinc/79/33/82/384793382.db2.gz ABBJBEUAHUYKTN-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000518199500 384794567 /nfs/dbraw/zinc/79/45/67/384794567.db2.gz ABBJBEUAHUYKTN-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cc(C)ccc2C)o1 ZINC000518266096 384872056 /nfs/dbraw/zinc/87/20/56/384872056.db2.gz KWWZJYQRYQJTKV-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)C(C)(C)C ZINC000518273813 384889019 /nfs/dbraw/zinc/88/90/19/384889019.db2.gz KBPKENMTVGIEPJ-HNNXBMFYSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)C(C)(C)C ZINC000518273814 384888628 /nfs/dbraw/zinc/88/86/28/384888628.db2.gz KBPKENMTVGIEPJ-OAHLLOKOSA-N 1 0 249.398 3.918 20 0 BHADRO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(C1CC1)C1CC1 ZINC000518339213 259339624 /nfs/dbraw/zinc/33/96/24/259339624.db2.gz XVDZYEGAGBLNFP-GDBMZVCRSA-N 1 0 233.399 3.591 20 0 BHADRO C([NH2+][C@@H]1CC[C@H]1C1CCC1)C(C1CC1)C1CC1 ZINC000518339214 259339263 /nfs/dbraw/zinc/33/92/63/259339263.db2.gz XVDZYEGAGBLNFP-GOEBONIOSA-N 1 0 233.399 3.591 20 0 BHADRO C([NH2+][C@H]1CC[C@H]1C1CCC1)C(C1CC1)C1CC1 ZINC000518339215 259339266 /nfs/dbraw/zinc/33/92/66/259339266.db2.gz XVDZYEGAGBLNFP-HOCLYGCPSA-N 1 0 233.399 3.591 20 0 BHADRO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C(C1CC1)C1CC1 ZINC000518339217 259339598 /nfs/dbraw/zinc/33/95/98/259339598.db2.gz XVDZYEGAGBLNFP-ZBFHGGJFSA-N 1 0 233.399 3.591 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000518407634 385069050 /nfs/dbraw/zinc/06/90/50/385069050.db2.gz HBJXJZUJIRVPOF-HSBZDZAISA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000518407635 256571690 /nfs/dbraw/zinc/57/16/90/256571690.db2.gz HBJXJZUJIRVPOF-IYXRBSQSSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CSC)cc1 ZINC000518418566 256571659 /nfs/dbraw/zinc/57/16/59/256571659.db2.gz ZFPNFMJKOIKFKW-CABCVRRESA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CSC)cc1 ZINC000518418567 383837888 /nfs/dbraw/zinc/83/78/88/383837888.db2.gz ZFPNFMJKOIKFKW-GJZGRUSLSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CSC)cc1 ZINC000518418568 256571611 /nfs/dbraw/zinc/57/16/11/256571611.db2.gz ZFPNFMJKOIKFKW-HUUCEWRRSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CSC)cc1 ZINC000518418569 383835641 /nfs/dbraw/zinc/83/56/41/383835641.db2.gz ZFPNFMJKOIKFKW-LSDHHAIUSA-N 1 0 249.423 3.828 20 0 BHADRO CCCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000518433715 383862202 /nfs/dbraw/zinc/86/22/02/383862202.db2.gz AKBMTUXQUSKSDE-HNNXBMFYSA-N 1 0 235.371 3.878 20 0 BHADRO CCCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000518433717 383860775 /nfs/dbraw/zinc/86/07/75/383860775.db2.gz AKBMTUXQUSKSDE-OAHLLOKOSA-N 1 0 235.371 3.878 20 0 BHADRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)C1(C)CC1 ZINC000518549255 384002292 /nfs/dbraw/zinc/00/22/92/384002292.db2.gz VEEQUPDKOZBMAE-HLIUYOAVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C1(C)CC1 ZINC000518549256 384002153 /nfs/dbraw/zinc/00/21/53/384002153.db2.gz VEEQUPDKOZBMAE-VQCLRJIVSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CCC(C)(C)C)C(C)(C)O ZINC000518578270 384032450 /nfs/dbraw/zinc/03/24/50/384032450.db2.gz BQYRICMNVZFYBM-OLZOCXBDSA-N 1 0 243.435 3.586 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C(C)(C)O ZINC000518578271 384031441 /nfs/dbraw/zinc/03/14/41/384031441.db2.gz BQYRICMNVZFYBM-STQMWFEESA-N 1 0 243.435 3.586 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H]1CCC1(C)C ZINC000518578521 384032430 /nfs/dbraw/zinc/03/24/30/384032430.db2.gz PSLBDYYNZFDTAS-HNNXBMFYSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H]1CCC1(C)C ZINC000518578522 256580912 /nfs/dbraw/zinc/58/09/12/256580912.db2.gz PSLBDYYNZFDTAS-OAHLLOKOSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCCOC1 ZINC000518607613 384071136 /nfs/dbraw/zinc/07/11/36/384071136.db2.gz HRILYEYPHNPAEI-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCCOC1 ZINC000518607614 384071670 /nfs/dbraw/zinc/07/16/70/384071670.db2.gz HRILYEYPHNPAEI-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO COc1ccccc1C[C@H](C)[N@H+](C)CC=C(C)C ZINC000518607952 384073880 /nfs/dbraw/zinc/07/38/80/384073880.db2.gz VNNAVSSGPKSDKN-AWEZNQCLSA-N 1 0 247.382 3.524 20 0 BHADRO COc1ccccc1C[C@@H](C)[N@H+](C)CC=C(C)C ZINC000518607953 384073749 /nfs/dbraw/zinc/07/37/49/384073749.db2.gz VNNAVSSGPKSDKN-CQSZACIVSA-N 1 0 247.382 3.524 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000518697498 384189292 /nfs/dbraw/zinc/18/92/92/384189292.db2.gz DJXSESYWENABQC-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCC(F)(F)F ZINC000518697499 384190311 /nfs/dbraw/zinc/19/03/11/384190311.db2.gz DJXSESYWENABQC-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000518725291 384224389 /nfs/dbraw/zinc/22/43/89/384224389.db2.gz MWXOSDFOIVFXND-KXNHARMFSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000518725292 384224632 /nfs/dbraw/zinc/22/46/32/384224632.db2.gz MWXOSDFOIVFXND-WRWGMCAJSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000518725293 384223649 /nfs/dbraw/zinc/22/36/49/384223649.db2.gz MWXOSDFOIVFXND-YFKTTZPYSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1ccccc1[C@@H](C)SCC1CC[NH2+]CC1 ZINC000518765445 259364607 /nfs/dbraw/zinc/36/46/07/259364607.db2.gz ZZCFHVPPEFWWJT-CYBMUJFWSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccccc1[C@H](C)SCC1CC[NH2+]CC1 ZINC000518765446 259364641 /nfs/dbraw/zinc/36/46/41/259364641.db2.gz ZZCFHVPPEFWWJT-ZDUSSCGKSA-N 1 0 249.423 3.789 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CC1CCCC1 ZINC000518766164 385414315 /nfs/dbraw/zinc/41/43/15/385414315.db2.gz FNKRHICQJHSATM-KAMYIIQDSA-N 1 0 229.367 3.870 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CC1CCCC1 ZINC000518766165 385413715 /nfs/dbraw/zinc/41/37/15/385413715.db2.gz FNKRHICQJHSATM-SDNWHVSQSA-N 1 0 229.367 3.870 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)o1 ZINC000518775966 385241673 /nfs/dbraw/zinc/24/16/73/385241673.db2.gz NHWWTJHVDPXTTI-LLVKDONJSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)o1 ZINC000518775967 385242917 /nfs/dbraw/zinc/24/29/17/385242917.db2.gz NHWWTJHVDPXTTI-NSHDSACASA-N 1 0 247.313 3.620 20 0 BHADRO Cc1nsc(C)c1C[N@@H+](C(C)C)C1CCC1 ZINC000518790651 259392231 /nfs/dbraw/zinc/39/22/31/259392231.db2.gz JSWGNPKJHAESGL-UHFFFAOYSA-N 1 0 238.400 3.523 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000518802900 386733365 /nfs/dbraw/zinc/73/33/65/386733365.db2.gz XVEWPDYOYFHDLU-HRCADAONSA-N 1 0 249.373 3.878 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000518802901 256625339 /nfs/dbraw/zinc/62/53/39/256625339.db2.gz XVEWPDYOYFHDLU-OWCLPIDISA-N 1 0 249.373 3.878 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CCC1(C)C)OC ZINC000518804285 385621517 /nfs/dbraw/zinc/62/15/17/385621517.db2.gz XBNPCDCRTPSJLC-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H]1CCC1(C)C)OC ZINC000518804286 256625715 /nfs/dbraw/zinc/62/57/15/256625715.db2.gz XBNPCDCRTPSJLC-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CCC1(C)C)OC ZINC000518804287 385620924 /nfs/dbraw/zinc/62/09/24/385620924.db2.gz XBNPCDCRTPSJLC-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H]1CCC1(C)C)OC ZINC000518804288 385621678 /nfs/dbraw/zinc/62/16/78/385621678.db2.gz XBNPCDCRTPSJLC-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000518827442 259445107 /nfs/dbraw/zinc/44/51/07/259445107.db2.gz SFWCRDQUKOTKQZ-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)=CCN(C)[C@H](C)c1c(F)cccc1F ZINC000518829214 386689537 /nfs/dbraw/zinc/68/95/37/386689537.db2.gz DKHAARZZIAXUMT-LLVKDONJSA-N 1 0 239.309 3.924 20 0 BHADRO CC(C)=CCN(C)[C@@H](C)c1c(F)cccc1F ZINC000518829215 386689325 /nfs/dbraw/zinc/68/93/25/386689325.db2.gz DKHAARZZIAXUMT-NSHDSACASA-N 1 0 239.309 3.924 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H]2C(C)C)c1 ZINC000518829378 323183438 /nfs/dbraw/zinc/18/34/38/323183438.db2.gz VLUCGAUOBIJEIX-OAHLLOKOSA-N 1 0 217.356 3.615 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000518830407 323183681 /nfs/dbraw/zinc/18/36/81/323183681.db2.gz FRESTSYCMIOVKF-LLVKDONJSA-N 1 0 225.763 3.816 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000518830408 323183686 /nfs/dbraw/zinc/18/36/86/323183686.db2.gz FRESTSYCMIOVKF-NSHDSACASA-N 1 0 225.763 3.816 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000518830427 323183704 /nfs/dbraw/zinc/18/37/04/323183704.db2.gz HOXYXDWPIOVJSZ-OAHLLOKOSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000518833758 354591045 /nfs/dbraw/zinc/59/10/45/354591045.db2.gz RHLBGCDWWJNVAM-AWEZNQCLSA-N 1 0 219.372 3.780 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000518833759 354591133 /nfs/dbraw/zinc/59/11/33/354591133.db2.gz RHLBGCDWWJNVAM-CQSZACIVSA-N 1 0 219.372 3.780 20 0 BHADRO CCc1cccc(OCC[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000518836361 398282208 /nfs/dbraw/zinc/28/22/08/398282208.db2.gz VHHNNDXCKKEVMM-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO CCc1cccc(OCC[N@H+](C)[C@H](C)C(C)C)c1 ZINC000518836362 398282188 /nfs/dbraw/zinc/28/21/88/398282188.db2.gz VHHNNDXCKKEVMM-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000518836921 386196708 /nfs/dbraw/zinc/19/67/08/386196708.db2.gz WDODFLWXDLTWRK-CYBMUJFWSA-N 1 0 249.423 3.584 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000518836922 386196732 /nfs/dbraw/zinc/19/67/32/386196732.db2.gz WDODFLWXDLTWRK-ZDUSSCGKSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000518837761 256636470 /nfs/dbraw/zinc/63/64/70/256636470.db2.gz QUKTWKHALCOKQJ-OAHLLOKOSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ccccc1F ZINC000518838153 323184641 /nfs/dbraw/zinc/18/46/41/323184641.db2.gz NCEGWHBKNPQXLH-GXTWGEPZSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1ccccc1F ZINC000518838154 323184667 /nfs/dbraw/zinc/18/46/67/323184667.db2.gz NCEGWHBKNPQXLH-JSGCOSHPSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1ccccc1F ZINC000518838155 323184637 /nfs/dbraw/zinc/18/46/37/323184637.db2.gz NCEGWHBKNPQXLH-OCCSQVGLSA-N 1 0 235.346 3.631 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1ccccc1F ZINC000518838156 323184660 /nfs/dbraw/zinc/18/46/60/323184660.db2.gz NCEGWHBKNPQXLH-TZMCWYRMSA-N 1 0 235.346 3.631 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CC1Cc2ccccc2C1 ZINC000518848613 386834590 /nfs/dbraw/zinc/83/45/90/386834590.db2.gz QFGIPKHCLGYGIS-CYBMUJFWSA-N 1 0 231.383 3.522 20 0 BHADRO CCC[C@H](C)[N@H+](C)CC1Cc2ccccc2C1 ZINC000518848614 386833484 /nfs/dbraw/zinc/83/34/84/386833484.db2.gz QFGIPKHCLGYGIS-ZDUSSCGKSA-N 1 0 231.383 3.522 20 0 BHADRO CCC1CC[NH+](Cc2ccccc2C)CC1 ZINC000518852171 386834905 /nfs/dbraw/zinc/83/49/05/386834905.db2.gz XBDFFQPDNXUJNR-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518860463 256637492 /nfs/dbraw/zinc/63/74/92/256637492.db2.gz KUYAQCREIMFKQK-KGLIPLIRSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518860464 386839354 /nfs/dbraw/zinc/83/93/54/386839354.db2.gz KUYAQCREIMFKQK-ZIAGYGMSSA-N 1 0 217.356 3.870 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000518907706 386930187 /nfs/dbraw/zinc/93/01/87/386930187.db2.gz LUHLCUWAFXJHLR-CHWSQXEVSA-N 1 0 249.398 3.738 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000518907711 386929264 /nfs/dbraw/zinc/92/92/64/386929264.db2.gz LUHLCUWAFXJHLR-OLZOCXBDSA-N 1 0 249.398 3.738 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000518907712 256638328 /nfs/dbraw/zinc/63/83/28/256638328.db2.gz LUHLCUWAFXJHLR-QWHCGFSZSA-N 1 0 249.398 3.738 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000518907713 256638418 /nfs/dbraw/zinc/63/84/18/256638418.db2.gz LUHLCUWAFXJHLR-STQMWFEESA-N 1 0 249.398 3.738 20 0 BHADRO CC[N@H+](Cc1c(C)cc(C)cc1C)C(C)C ZINC000518912498 386929252 /nfs/dbraw/zinc/92/92/52/386929252.db2.gz QTLUZCKTVIHZCI-UHFFFAOYSA-N 1 0 219.372 3.842 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000518936833 256638767 /nfs/dbraw/zinc/63/87/67/256638767.db2.gz FQAQKJCZFKFEIQ-NWDGAFQWSA-N 1 0 243.272 3.604 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cccc(O)c1)C1CCC1 ZINC000518952341 386952305 /nfs/dbraw/zinc/95/23/05/386952305.db2.gz LANTXWBCEDLKDL-INIZCTEOSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cccc(O)c1)C1CCC1 ZINC000518952345 386952620 /nfs/dbraw/zinc/95/26/20/386952620.db2.gz LANTXWBCEDLKDL-MRXNPFEDSA-N 1 0 247.382 3.841 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCOc2ccccc2)C1 ZINC000519002320 386983334 /nfs/dbraw/zinc/98/33/34/386983334.db2.gz DQSMUZFWRIGXRI-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCOc2ccccc2)C1 ZINC000519002321 386982929 /nfs/dbraw/zinc/98/29/29/386982929.db2.gz DQSMUZFWRIGXRI-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCOc2ccccc2)C1 ZINC000519002322 386983124 /nfs/dbraw/zinc/98/31/24/386983124.db2.gz DQSMUZFWRIGXRI-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCOc2ccccc2)C1 ZINC000519002323 386983365 /nfs/dbraw/zinc/98/33/65/386983365.db2.gz DQSMUZFWRIGXRI-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000519002370 386984493 /nfs/dbraw/zinc/98/44/93/386984493.db2.gz LYBLYVYLMDZRDG-DZGCQCFKSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000519002371 256641520 /nfs/dbraw/zinc/64/15/20/256641520.db2.gz LYBLYVYLMDZRDG-HIFRSBDPSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000519002372 386984685 /nfs/dbraw/zinc/98/46/85/386984685.db2.gz LYBLYVYLMDZRDG-UKRRQHHQSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000519002373 386984869 /nfs/dbraw/zinc/98/48/69/386984869.db2.gz LYBLYVYLMDZRDG-ZFWWWQNUSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000519002378 386985829 /nfs/dbraw/zinc/98/58/29/386985829.db2.gz MIGGNSLDSQYFKE-DZGCQCFKSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000519002379 256641590 /nfs/dbraw/zinc/64/15/90/256641590.db2.gz MIGGNSLDSQYFKE-HIFRSBDPSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000519002380 386985287 /nfs/dbraw/zinc/98/52/87/386985287.db2.gz MIGGNSLDSQYFKE-UKRRQHHQSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000519002518 386983482 /nfs/dbraw/zinc/98/34/82/386983482.db2.gz ZHLWFPFODYPGEW-CABCVRRESA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000519002521 386983322 /nfs/dbraw/zinc/98/33/22/386983322.db2.gz ZHLWFPFODYPGEW-GJZGRUSLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000519002529 386982178 /nfs/dbraw/zinc/98/21/78/386982178.db2.gz ZHLWFPFODYPGEW-HUUCEWRRSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000519002530 386983188 /nfs/dbraw/zinc/98/31/88/386983188.db2.gz ZHLWFPFODYPGEW-LSDHHAIUSA-N 1 0 241.419 3.560 20 0 BHADRO C[N@H+](CCc1ccccc1)CC1CCCCC1 ZINC000519004637 386983065 /nfs/dbraw/zinc/98/30/65/386983065.db2.gz MSPMNYRPDYZFGQ-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1CCC(C)CC1 ZINC000519042864 386994516 /nfs/dbraw/zinc/99/45/16/386994516.db2.gz GPNCNYUUKSIFOI-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCOCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000519044083 386994552 /nfs/dbraw/zinc/99/45/52/386994552.db2.gz WJXWHUNVOHMFNG-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](Cc1ccccc1OC(C)C)C(C)C ZINC000519051737 386993644 /nfs/dbraw/zinc/99/36/44/386993644.db2.gz RVARPGOAYRWFMI-UHFFFAOYSA-N 1 0 235.371 3.704 20 0 BHADRO CC(C)O[C@H](C[NH+]1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000519059933 386996928 /nfs/dbraw/zinc/99/69/28/386996928.db2.gz QBVRSQMJVBDDJO-IIAWOOMASA-N 1 0 247.382 3.635 20 0 BHADRO CC(C)O[C@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059934 386995225 /nfs/dbraw/zinc/99/52/25/386995225.db2.gz QBVRSQMJVBDDJO-IJEWVQPXSA-N 1 0 247.382 3.635 20 0 BHADRO CC(C)O[C@@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059935 386995660 /nfs/dbraw/zinc/99/56/60/386995660.db2.gz QBVRSQMJVBDDJO-LZWOXQAQSA-N 1 0 247.382 3.635 20 0 BHADRO CC(C)O[C@H](C[NH+]1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059936 386995249 /nfs/dbraw/zinc/99/52/49/386995249.db2.gz QBVRSQMJVBDDJO-OFQRWUPVSA-N 1 0 247.382 3.635 20 0 BHADRO CC[N@@H+](Cc1ccccc1OC(C)C)CC(C)C ZINC000519064529 386999333 /nfs/dbraw/zinc/99/93/33/386999333.db2.gz CILWAMUVGPHIGN-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1CCCCCC1 ZINC000519066109 386998072 /nfs/dbraw/zinc/99/80/72/386998072.db2.gz PPLBFELCWBBRAX-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000519084815 387009315 /nfs/dbraw/zinc/00/93/15/387009315.db2.gz GYPVKKKLEOWUFO-BDAKNGLRSA-N 1 0 225.298 3.599 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000519084816 387009690 /nfs/dbraw/zinc/00/96/90/387009690.db2.gz GYPVKKKLEOWUFO-DTWKUNHWSA-N 1 0 225.298 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000519084817 387009250 /nfs/dbraw/zinc/00/92/50/387009250.db2.gz GYPVKKKLEOWUFO-IUCAKERBSA-N 1 0 225.298 3.599 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000519084818 256642530 /nfs/dbraw/zinc/64/25/30/256642530.db2.gz GYPVKKKLEOWUFO-RKDXNWHRSA-N 1 0 225.298 3.599 20 0 BHADRO CC[N@H+](C/C=C/c1ccccc1)C1CCCC1 ZINC000519124192 387013194 /nfs/dbraw/zinc/01/31/94/387013194.db2.gz ZWLIQOAZODOSST-DHZHZOJOSA-N 1 0 229.367 3.964 20 0 BHADRO CC[N@H+](C/C=C\c1ccccc1)C1CCCC1 ZINC000519124193 387013938 /nfs/dbraw/zinc/01/39/38/387013938.db2.gz ZWLIQOAZODOSST-FLIBITNWSA-N 1 0 229.367 3.964 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000519182997 387030175 /nfs/dbraw/zinc/03/01/75/387030175.db2.gz GINDICQMSCSDHU-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000519182998 387030119 /nfs/dbraw/zinc/03/01/19/387030119.db2.gz GINDICQMSCSDHU-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000519188011 387027397 /nfs/dbraw/zinc/02/73/97/387027397.db2.gz XJELASJOPDBRSG-CHWSQXEVSA-N 1 0 211.393 3.932 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000519188012 387028088 /nfs/dbraw/zinc/02/80/88/387028088.db2.gz XJELASJOPDBRSG-OLZOCXBDSA-N 1 0 211.393 3.932 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000519188013 387027431 /nfs/dbraw/zinc/02/74/31/387027431.db2.gz XJELASJOPDBRSG-QWHCGFSZSA-N 1 0 211.393 3.932 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000519188014 387027779 /nfs/dbraw/zinc/02/77/79/387027779.db2.gz XJELASJOPDBRSG-STQMWFEESA-N 1 0 211.393 3.932 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCCc1ccccc1)C1CC1 ZINC000519227258 256645122 /nfs/dbraw/zinc/64/51/22/256645122.db2.gz FYXMYVFCEHNURI-AWEZNQCLSA-N 1 0 243.394 3.882 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCCc1ccccc1)C1CC1 ZINC000519227262 256645333 /nfs/dbraw/zinc/64/53/33/256645333.db2.gz FYXMYVFCEHNURI-CQSZACIVSA-N 1 0 243.394 3.882 20 0 BHADRO Fc1ccccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000519231846 387037554 /nfs/dbraw/zinc/03/75/54/387037554.db2.gz GTDGLKJDQAWPQO-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000519243454 387039794 /nfs/dbraw/zinc/03/97/94/387039794.db2.gz APGDBNRJYLEPSQ-CYBMUJFWSA-N 1 0 235.396 3.677 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000519243455 387039781 /nfs/dbraw/zinc/03/97/81/387039781.db2.gz APGDBNRJYLEPSQ-ZDUSSCGKSA-N 1 0 235.396 3.677 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000519256523 387042182 /nfs/dbraw/zinc/04/21/82/387042182.db2.gz OUBYGDKDNKLQPJ-JTQLQIEISA-N 1 0 239.309 3.855 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000519256524 387042462 /nfs/dbraw/zinc/04/24/62/387042462.db2.gz OUBYGDKDNKLQPJ-SNVBAGLBSA-N 1 0 239.309 3.855 20 0 BHADRO CC[NH+](CC)Cc1cccc(NCC2(C)CC2)c1 ZINC000519269055 387046514 /nfs/dbraw/zinc/04/65/14/387046514.db2.gz ARKLCEHAAZKHQG-UHFFFAOYSA-N 1 0 246.398 3.740 20 0 BHADRO Cc1ccccc1OCCC[N@H+]1CCCC[C@H]1C ZINC000519272040 387046000 /nfs/dbraw/zinc/04/60/00/387046000.db2.gz CAYHTCNNQCUPTM-OAHLLOKOSA-N 1 0 247.382 3.638 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)[C@H](C)C(C)C ZINC000519272767 387049006 /nfs/dbraw/zinc/04/90/06/387049006.db2.gz CRFZVASUHCCVSV-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO CC(C)[N@H+](Cc1ccccc1F)CC1(C)CC1 ZINC000519273644 387049578 /nfs/dbraw/zinc/04/95/78/387049578.db2.gz TVPPQIIQFBGMFJ-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO CC[N@H+](CCOc1cccc(C)c1)[C@@H](C)C(C)C ZINC000519274285 387051301 /nfs/dbraw/zinc/05/13/01/387051301.db2.gz JQEKJSRVNKOLBP-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccc(C)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000519285133 387051575 /nfs/dbraw/zinc/05/15/75/387051575.db2.gz WDWRXPZOIUISGG-UHFFFAOYSA-N 1 0 237.346 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)o1 ZINC000519399180 386430862 /nfs/dbraw/zinc/43/08/62/386430862.db2.gz AAGRKMOMGJXOJR-QJPTWQEYSA-N 1 0 225.307 3.519 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)o1 ZINC000519399181 386430104 /nfs/dbraw/zinc/43/01/04/386430104.db2.gz AAGRKMOMGJXOJR-SDDRHHMPSA-N 1 0 225.307 3.519 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)o1 ZINC000519399182 386429613 /nfs/dbraw/zinc/42/96/13/386429613.db2.gz AAGRKMOMGJXOJR-SRVKXCTJSA-N 1 0 225.307 3.519 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)o1 ZINC000519399183 386431720 /nfs/dbraw/zinc/43/17/20/386431720.db2.gz AAGRKMOMGJXOJR-TUAOUCFPSA-N 1 0 225.307 3.519 20 0 BHADRO CC/C=C\CCN(C)Cc1c(F)cccc1F ZINC000519432696 386441240 /nfs/dbraw/zinc/44/12/40/386441240.db2.gz WCVOWQSLEYLHGJ-PLNGDYQASA-N 1 0 239.309 3.753 20 0 BHADRO CC/C=C/CCN(C)Cc1c(F)cccc1F ZINC000519432697 386439025 /nfs/dbraw/zinc/43/90/25/386439025.db2.gz WCVOWQSLEYLHGJ-SNAWJCMRSA-N 1 0 239.309 3.753 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)cc(C)c1O ZINC000519477077 256648992 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/nfs/dbraw/zinc/49/14/33/386491433.db2.gz XPETWKOTRBZKDG-SNVBAGLBSA-N 1 0 243.753 3.955 20 0 BHADRO Cc1cc(C[N@@H+]2CCC(C)=C(C)C2)cc(C)c1O ZINC000519568097 386490366 /nfs/dbraw/zinc/49/03/66/386490366.db2.gz PKFWXRSQQGUYGB-UHFFFAOYSA-N 1 0 245.366 3.551 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000519568607 386490352 /nfs/dbraw/zinc/49/03/52/386490352.db2.gz OUUVIMLQXCWUOF-DZUCGIPZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000519568608 256651532 /nfs/dbraw/zinc/65/15/32/256651532.db2.gz OUUVIMLQXCWUOF-SIXLDLHFSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000519568609 256651028 /nfs/dbraw/zinc/65/10/28/256651028.db2.gz OUUVIMLQXCWUOF-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1cccc(Cl)c1C[NH2+]C1(C2CC2)CC1 ZINC000519579729 386494901 /nfs/dbraw/zinc/49/49/01/386494901.db2.gz RBYLDOVTFYMKQP-UHFFFAOYSA-N 1 0 235.758 3.681 20 0 BHADRO C[N@H+](CC1Cc2ccccc2C1)C1CCCCC1 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C[C@@H]1CC[N@H+](Cc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC000519783225 386550141 /nfs/dbraw/zinc/55/01/41/386550141.db2.gz HNUAJCZDCKKGTC-VHDGCEQUSA-N 1 0 233.355 3.680 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccco2)[C@H]2CCCC[C@H]12 ZINC000519783229 256658896 /nfs/dbraw/zinc/65/88/96/256658896.db2.gz HNUAJCZDCKKGTC-YUELXQCFSA-N 1 0 233.355 3.680 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000519789100 256660195 /nfs/dbraw/zinc/66/01/95/256660195.db2.gz NEPIAVONEWTBSJ-WZRBSPASSA-N 1 0 235.396 3.787 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000519790406 386558274 /nfs/dbraw/zinc/55/82/74/386558274.db2.gz ITJGQTBZLOETCU-HZSPNIEDSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000519790411 386557214 /nfs/dbraw/zinc/55/72/14/386557214.db2.gz ITJGQTBZLOETCU-MCIONIFRSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000519790414 386558177 /nfs/dbraw/zinc/55/81/77/386558177.db2.gz ITJGQTBZLOETCU-MGPQQGTHSA-N 1 0 249.398 3.713 20 0 BHADRO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000519790417 386556684 /nfs/dbraw/zinc/55/66/84/386556684.db2.gz ITJGQTBZLOETCU-RDBSUJKOSA-N 1 0 249.398 3.713 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000519800518 256660118 /nfs/dbraw/zinc/66/01/18/256660118.db2.gz PBGRRRSCFPTCQW-LLVKDONJSA-N 1 0 237.309 3.697 20 0 BHADRO CCC(CC)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000519800529 386560120 /nfs/dbraw/zinc/56/01/20/386560120.db2.gz PBGRRRSCFPTCQW-NSHDSACASA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncccc1F)C(C)(C)C ZINC000519805952 386555709 /nfs/dbraw/zinc/55/57/09/386555709.db2.gz TVDFCJXTJIIPCA-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncccc1F)C(C)(C)C ZINC000519805971 386554903 /nfs/dbraw/zinc/55/49/03/386554903.db2.gz TVDFCJXTJIIPCA-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000519821759 386562779 /nfs/dbraw/zinc/56/27/79/386562779.db2.gz 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241.375 3.650 20 0 BHADRO CCCCc1nc(C[N@H+](CC)CCC)cs1 ZINC000519903363 386580890 /nfs/dbraw/zinc/58/08/90/386580890.db2.gz ZIZBXNWMTKMZPR-UHFFFAOYSA-N 1 0 240.416 3.718 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(OC(F)F)cc1 ZINC000519904165 386580510 /nfs/dbraw/zinc/58/05/10/386580510.db2.gz WINZPYZHMALIHZ-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO CC[N@@H+](CC=C(C)C)CCc1cccs1 ZINC000519905885 386581759 /nfs/dbraw/zinc/58/17/59/386581759.db2.gz QHZWICPRELGGPV-UHFFFAOYSA-N 1 0 223.385 3.579 20 0 BHADRO CCC[N@@H+](Cc1cccc(F)c1)CC(C)C ZINC000519906018 386580538 /nfs/dbraw/zinc/58/05/38/386580538.db2.gz AZHBHRRGLHTQNW-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO CCC[N@H+](CCOC(C)(C)C)Cc1ccccc1 ZINC000519907573 386581030 /nfs/dbraw/zinc/58/10/30/386581030.db2.gz LMGOSBJSPFWGHJ-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CCOc1ccc(C[N@H+](CC(C)C)C(C)C)cc1 ZINC000519907699 386580473 /nfs/dbraw/zinc/58/04/73/386580473.db2.gz WBVVLYJTZYPMEU-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CCC[N@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000519908042 386581069 /nfs/dbraw/zinc/58/10/69/386581069.db2.gz CUFCXZIPIBOTMP-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO COCC[N@H+](CC=C(C)C)[C@@H](C)c1ccccc1 ZINC000519917661 583546770 /nfs/dbraw/zinc/54/67/70/583546770.db2.gz BTUYSAHYONIPHN-HNNXBMFYSA-N 1 0 247.382 3.662 20 0 BHADRO COCC[N@H+](CC=C(C)C)[C@H](C)c1ccccc1 ZINC000519917662 583546569 /nfs/dbraw/zinc/54/65/69/583546569.db2.gz BTUYSAHYONIPHN-OAHLLOKOSA-N 1 0 247.382 3.662 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1ccc(C)cc1 ZINC000519918303 491123491 /nfs/dbraw/zinc/12/34/91/491123491.db2.gz LBAFURQWHLIXFI-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000519948031 259303136 /nfs/dbraw/zinc/30/31/36/259303136.db2.gz IEUDZZJQOMVUNZ-INIZCTEOSA-N 1 0 243.394 3.792 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000519948032 259303127 /nfs/dbraw/zinc/30/31/27/259303127.db2.gz IEUDZZJQOMVUNZ-MRXNPFEDSA-N 1 0 243.394 3.792 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000519968910 384234385 /nfs/dbraw/zinc/23/43/85/384234385.db2.gz VWCGDWFTZMLDRY-DOMZBBRYSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000519968911 256512596 /nfs/dbraw/zinc/51/25/96/256512596.db2.gz VWCGDWFTZMLDRY-IUODEOHRSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000519968912 384234099 /nfs/dbraw/zinc/23/40/99/384234099.db2.gz VWCGDWFTZMLDRY-SWLSCSKDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000519968913 384236052 /nfs/dbraw/zinc/23/60/52/384236052.db2.gz VWCGDWFTZMLDRY-WFASDCNBSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1cc(OCC[N@H+](C)C2CC2)ccc1C(C)C ZINC000519968929 384237521 /nfs/dbraw/zinc/23/75/21/384237521.db2.gz XDPKHGXWTVPDGR-UHFFFAOYSA-N 1 0 247.382 3.591 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000519987462 384271649 /nfs/dbraw/zinc/27/16/49/384271649.db2.gz ADAFUZADPKUABI-AWEZNQCLSA-N 1 0 249.398 3.950 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)[C@H](C)C(C)C ZINC000519987463 384270164 /nfs/dbraw/zinc/27/01/64/384270164.db2.gz ADAFUZADPKUABI-CQSZACIVSA-N 1 0 249.398 3.950 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000520042090 383837221 /nfs/dbraw/zinc/83/72/21/383837221.db2.gz HVBSKKMJAJISSM-INIZCTEOSA-N 1 0 247.357 3.799 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000520042091 383835352 /nfs/dbraw/zinc/83/53/52/383835352.db2.gz HVBSKKMJAJISSM-MRXNPFEDSA-N 1 0 247.357 3.799 20 0 BHADRO CCc1cccc(OCC[N@H+](C(C)C)C2CC2)c1 ZINC000520043571 383827828 /nfs/dbraw/zinc/82/78/28/383827828.db2.gz PKLQYQVJZJBZGY-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000520058981 383907206 /nfs/dbraw/zinc/90/72/06/383907206.db2.gz VPGBNKDGXZCIFZ-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccccc1OCCC[N@@H+](C)[C@H](C)C(C)C ZINC000520058982 383907778 /nfs/dbraw/zinc/90/77/78/383907778.db2.gz VPGBNKDGXZCIFZ-OAHLLOKOSA-N 1 0 249.398 3.740 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCOc1ccccc1C ZINC000520059582 383905065 /nfs/dbraw/zinc/90/50/65/383905065.db2.gz RIPLFGKVJHAPFO-HNNXBMFYSA-N 1 0 249.398 3.884 20 0 BHADRO CC(C)C[N@H+](C)CCSc1ccc(F)cc1 ZINC000520130527 386558040 /nfs/dbraw/zinc/55/80/40/386558040.db2.gz JRWBOGLDBJTGPF-UHFFFAOYSA-N 1 0 241.375 3.506 20 0 BHADRO C[C@H]1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000520136784 323181329 /nfs/dbraw/zinc/18/13/29/323181329.db2.gz VMXDZMQXVDGPGJ-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000520136785 323181273 /nfs/dbraw/zinc/18/12/73/323181273.db2.gz VMXDZMQXVDGPGJ-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CCC[N@H+](CC)CCSc1ccc(F)cc1 ZINC000520168740 386591971 /nfs/dbraw/zinc/59/19/71/386591971.db2.gz TVKDIXGSLYJSNK-UHFFFAOYSA-N 1 0 241.375 3.650 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccccc1C)C1CC1 ZINC000520168936 386592684 /nfs/dbraw/zinc/59/26/84/386592684.db2.gz IVMLUHVJOWXWCQ-UHFFFAOYSA-N 1 0 229.367 3.926 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(F)cc1Cl ZINC000520169066 386592378 /nfs/dbraw/zinc/59/23/78/386592378.db2.gz RNMKBKOOMCUEMQ-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1OC(C)C ZINC000520169604 386592235 /nfs/dbraw/zinc/59/22/35/386592235.db2.gz ZZMBAQFOAJTPNP-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[N@@H+](Cc1cc(C)ccc1OC)CC(C)C ZINC000520172054 386588555 /nfs/dbraw/zinc/58/85/55/386588555.db2.gz QIQWOJUGSSKSFE-UHFFFAOYSA-N 1 0 249.398 3.872 20 0 BHADRO CCC[NH+](CCC)[C@H](C)c1ccccc1OC ZINC000520172081 256664390 /nfs/dbraw/zinc/66/43/90/256664390.db2.gz SDKKOAYUMRAJFO-CYBMUJFWSA-N 1 0 235.371 3.878 20 0 BHADRO CCC[NH+](CCC)[C@@H](C)c1ccccc1OC ZINC000520172082 386588280 /nfs/dbraw/zinc/58/82/80/386588280.db2.gz SDKKOAYUMRAJFO-ZDUSSCGKSA-N 1 0 235.371 3.878 20 0 BHADRO c1ccc([C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000520175548 386591152 /nfs/dbraw/zinc/59/11/52/386591152.db2.gz VFMDGBAYNZCWEU-INIZCTEOSA-N 1 0 229.367 3.666 20 0 BHADRO c1ccc([C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000520175549 386590773 /nfs/dbraw/zinc/59/07/73/386590773.db2.gz VFMDGBAYNZCWEU-MRXNPFEDSA-N 1 0 229.367 3.666 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000520217592 386601012 /nfs/dbraw/zinc/60/10/12/386601012.db2.gz AZOZSOZZRJBLCO-DZGCQCFKSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000520217598 386602930 /nfs/dbraw/zinc/60/29/30/386602930.db2.gz AZOZSOZZRJBLCO-HIFRSBDPSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000520217599 386601395 /nfs/dbraw/zinc/60/13/95/386601395.db2.gz AZOZSOZZRJBLCO-UKRRQHHQSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000520217600 256665429 /nfs/dbraw/zinc/66/54/29/256665429.db2.gz AZOZSOZZRJBLCO-ZFWWWQNUSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000520246316 386614105 /nfs/dbraw/zinc/61/41/05/386614105.db2.gz VFLNYPDWTWARCB-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000520251311 386619158 /nfs/dbraw/zinc/61/91/58/386619158.db2.gz BLYJEUCGGUULDM-CYBMUJFWSA-N 1 0 209.377 3.853 20 0 BHADRO CC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000520260373 386631891 /nfs/dbraw/zinc/63/18/91/386631891.db2.gz MTNTZAQYCSITKM-HNNXBMFYSA-N 1 0 229.367 3.666 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000520260374 386630785 /nfs/dbraw/zinc/63/07/85/386630785.db2.gz MTNTZAQYCSITKM-OAHLLOKOSA-N 1 0 229.367 3.666 20 0 BHADRO CC(C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000520260610 386631963 /nfs/dbraw/zinc/63/19/63/386631963.db2.gz WUAUPQXHGJJXIR-GFCCVEGCSA-N 1 0 245.288 3.721 20 0 BHADRO CC(C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000520260611 256669069 /nfs/dbraw/zinc/66/90/69/256669069.db2.gz WUAUPQXHGJJXIR-LBPRGKRZSA-N 1 0 245.288 3.721 20 0 BHADRO CCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000520272980 256670355 /nfs/dbraw/zinc/67/03/55/256670355.db2.gz WCEAFKZSJXLBLJ-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000520273322 256670487 /nfs/dbraw/zinc/67/04/87/256670487.db2.gz IDLKRTASJWLLJV-RMKNXTFCSA-N 1 0 229.367 3.822 20 0 BHADRO CCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000520273323 386641184 /nfs/dbraw/zinc/64/11/84/386641184.db2.gz IDLKRTASJWLLJV-TWGQIWQCSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)cn1 ZINC000520306763 386645074 /nfs/dbraw/zinc/64/50/74/386645074.db2.gz VOZLPGIYCLREGS-OBJOEFQTSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)cn1 ZINC000520306764 386643996 /nfs/dbraw/zinc/64/39/96/386643996.db2.gz VOZLPGIYCLREGS-OUCADQQQSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)cn1 ZINC000520306765 386644881 /nfs/dbraw/zinc/64/48/81/386644881.db2.gz VOZLPGIYCLREGS-SCRDCRAPSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)cn1 ZINC000520306766 386644115 /nfs/dbraw/zinc/64/41/15/386644115.db2.gz VOZLPGIYCLREGS-SGMGOOAPSA-N 1 0 249.402 3.549 20 0 BHADRO C[N@H+](Cc1cc(Cl)ccc1F)CC1(C)CC1 ZINC000520313586 386644804 /nfs/dbraw/zinc/64/48/04/386644804.db2.gz MLTONGQUMAAXFQ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000520343882 386655914 /nfs/dbraw/zinc/65/59/14/386655914.db2.gz BAWCNNVDYPJTKJ-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000520343883 386656724 /nfs/dbraw/zinc/65/67/24/386656724.db2.gz BAWCNNVDYPJTKJ-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000520382075 256672031 /nfs/dbraw/zinc/67/20/31/256672031.db2.gz VAQFURPCWCQNPH-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000520386976 386665891 /nfs/dbraw/zinc/66/58/91/386665891.db2.gz OESAMGVKXUVXQF-JTQLQIEISA-N 1 0 243.753 3.955 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000520386977 386664731 /nfs/dbraw/zinc/66/47/31/386664731.db2.gz OESAMGVKXUVXQF-SNVBAGLBSA-N 1 0 243.753 3.955 20 0 BHADRO Cc1nc2ccc(C[N@@H+]3CCC3(C)C)cc2s1 ZINC000520388061 386664126 /nfs/dbraw/zinc/66/41/26/386664126.db2.gz XUAIJKMVHBJHDF-UHFFFAOYSA-N 1 0 246.379 3.589 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC000520389661 386664431 /nfs/dbraw/zinc/66/44/31/386664431.db2.gz BXOJFXKUOJPXPD-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC000520389662 256672161 /nfs/dbraw/zinc/67/21/61/256672161.db2.gz BXOJFXKUOJPXPD-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000520390528 256671789 /nfs/dbraw/zinc/67/17/89/256671789.db2.gz BACXTIPLUVBHAY-LLVKDONJSA-N 1 0 225.763 3.816 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000520390531 386665934 /nfs/dbraw/zinc/66/59/34/386665934.db2.gz BACXTIPLUVBHAY-NSHDSACASA-N 1 0 225.763 3.816 20 0 BHADRO Cc1ccc(C)c(OCC[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000520390918 386665758 /nfs/dbraw/zinc/66/57/58/386665758.db2.gz PJBMRXQMMADDKA-HNNXBMFYSA-N 1 0 249.398 3.659 20 0 BHADRO Cc1ccc(C)c(OCC[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000520390928 386664843 /nfs/dbraw/zinc/66/48/43/386664843.db2.gz PJBMRXQMMADDKA-OAHLLOKOSA-N 1 0 249.398 3.659 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000520454254 386678575 /nfs/dbraw/zinc/67/85/75/386678575.db2.gz YXJHLDHCMGUUNP-FVQBIDKESA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000520454255 386679508 /nfs/dbraw/zinc/67/95/08/386679508.db2.gz YXJHLDHCMGUUNP-NUEKZKHPSA-N 1 0 247.382 3.685 20 0 BHADRO CSC1(C[NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC000520458993 256673576 /nfs/dbraw/zinc/67/35/76/256673576.db2.gz KONPZKBHLMRPPU-UHFFFAOYSA-N 1 0 241.444 3.640 20 0 BHADRO Cc1cc(C)c(C[NH+]2C3CCC2CC3)c(C)c1 ZINC000520466891 386682085 /nfs/dbraw/zinc/68/20/85/386682085.db2.gz GMDIDLFXMMFUPU-UHFFFAOYSA-N 1 0 229.367 3.739 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000520468934 386681836 /nfs/dbraw/zinc/68/18/36/386681836.db2.gz NQOVHPWOZPWXBQ-INIZCTEOSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2F)C1 ZINC000520527291 386692739 /nfs/dbraw/zinc/69/27/39/386692739.db2.gz WNGCUUTUGZSMHP-GXTWGEPZSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccccc2F)C1 ZINC000520527293 386690488 /nfs/dbraw/zinc/69/04/88/386690488.db2.gz WNGCUUTUGZSMHP-JSGCOSHPSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccccc2F)C1 ZINC000520527294 386690596 /nfs/dbraw/zinc/69/05/96/386690596.db2.gz WNGCUUTUGZSMHP-OCCSQVGLSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2F)C1 ZINC000520527295 386690910 /nfs/dbraw/zinc/69/09/10/386690910.db2.gz WNGCUUTUGZSMHP-TZMCWYRMSA-N 1 0 235.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000520557457 256674556 /nfs/dbraw/zinc/67/45/56/256674556.db2.gz PYKDABSOTHNPGE-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000520557458 256674322 /nfs/dbraw/zinc/67/43/22/256674322.db2.gz PYKDABSOTHNPGE-IHRRRGAJSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000520557459 386694687 /nfs/dbraw/zinc/69/46/87/386694687.db2.gz PYKDABSOTHNPGE-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000520557460 256674269 /nfs/dbraw/zinc/67/42/69/256674269.db2.gz PYKDABSOTHNPGE-MJBXVCDLSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCCOC(C)C)C1CC1 ZINC000520591894 256675112 /nfs/dbraw/zinc/67/51/12/256675112.db2.gz JZAYATYHEJJBSG-KBPBESRZSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCCOC(C)C)C1CC1 ZINC000520591895 386698656 /nfs/dbraw/zinc/69/86/56/386698656.db2.gz JZAYATYHEJJBSG-KGLIPLIRSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCCOC(C)C)C1CC1 ZINC000520591896 386699161 /nfs/dbraw/zinc/69/91/61/386699161.db2.gz JZAYATYHEJJBSG-UONOGXRCSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCCOC(C)C)C1CC1 ZINC000520591897 386697126 /nfs/dbraw/zinc/69/71/26/386697126.db2.gz 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229.433 3.639 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)C1CCCC1 ZINC000520629036 386710608 /nfs/dbraw/zinc/71/06/08/386710608.db2.gz QXEAESLCQZZXJU-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1C2CCC1CC2 ZINC000520630687 386709537 /nfs/dbraw/zinc/70/95/37/386709537.db2.gz RGCNEDQUZNFALL-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO CCCC[C@H]([NH2+]CCc1ccncc1)C1CCC1 ZINC000520663426 386716500 /nfs/dbraw/zinc/71/65/00/386716500.db2.gz MMSZEYQAQQARBN-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@@H]([NH2+]CCc1ccncc1)C1CCC1 ZINC000520663429 259457341 /nfs/dbraw/zinc/45/73/41/259457341.db2.gz MMSZEYQAQQARBN-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1cccc(C2=CC[N@H+](CC3(F)CC3)CC2)c1 ZINC000520684160 386735487 /nfs/dbraw/zinc/73/54/87/386735487.db2.gz KVRVAQUUUYRGAN-UHFFFAOYSA-N 1 0 245.341 3.586 20 0 BHADRO CC1(C[N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000520695680 259458304 /nfs/dbraw/zinc/45/83/04/259458304.db2.gz PGMQFJFQHPIVNG-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO Cc1cc(C)cc(C[NH+]2Cc3ccccc3C2)c1 ZINC000520696723 386752880 /nfs/dbraw/zinc/75/28/80/386752880.db2.gz NHIBGEWRXMAWAC-UHFFFAOYSA-N 1 0 237.346 3.819 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000520777631 256690381 /nfs/dbraw/zinc/69/03/81/256690381.db2.gz SCZOIHZGMDLIKQ-AWEZNQCLSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000520777633 387545539 /nfs/dbraw/zinc/54/55/39/387545539.db2.gz SCZOIHZGMDLIKQ-CQSZACIVSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C(C)C)C2CC2)c1 ZINC000520782129 387545073 /nfs/dbraw/zinc/54/50/73/387545073.db2.gz NIWSULSYEAXQMJ-UHFFFAOYSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000520785205 387546918 /nfs/dbraw/zinc/54/69/18/387546918.db2.gz BOAVDZOUYJXKTA-UHFFFAOYSA-N 1 0 245.288 3.793 20 0 BHADRO C(C1CCCC1)[N@H+](C1CC1)C1CCCC1 ZINC000520791794 387544476 /nfs/dbraw/zinc/54/44/76/387544476.db2.gz DFGMBOIBMACHAV-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO Cc1ccc(C)c(OCC[N@@H+](C(C)C)C2CC2)c1 ZINC000520792989 387545762 /nfs/dbraw/zinc/54/57/62/387545762.db2.gz LQAQIEKOXMMBOA-UHFFFAOYSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCc1cccs1 ZINC000520842700 388552322 /nfs/dbraw/zinc/55/23/22/388552322.db2.gz DUTFLGKLMBXPEF-SNPRPXQTSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCc1cccs1 ZINC000520842701 388551870 /nfs/dbraw/zinc/55/18/70/388551870.db2.gz DUTFLGKLMBXPEF-YUELXQCFSA-N 1 0 249.423 3.849 20 0 BHADRO CC[N@H+](Cc1cc(C)ccc1OC)[C@H](C)C(C)C ZINC000520847315 324176720 /nfs/dbraw/zinc/17/67/20/324176720.db2.gz NWVGKLYZDLZEAV-CQSZACIVSA-N 1 0 249.398 3.870 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000520852264 384463089 /nfs/dbraw/zinc/46/30/89/384463089.db2.gz GMAKREKORHACSF-BPLDGKMQSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000520852265 256593786 /nfs/dbraw/zinc/59/37/86/256593786.db2.gz GMAKREKORHACSF-QEJZJMRPSA-N 1 0 247.357 3.850 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000520946984 388558819 /nfs/dbraw/zinc/55/88/19/388558819.db2.gz ZJPWIVSZNKJLNM-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000520948969 388558940 /nfs/dbraw/zinc/55/89/40/388558940.db2.gz LVEDUKVGKPBMSA-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC2(C)C)c(Cl)c1 ZINC000520960331 388558048 /nfs/dbraw/zinc/55/80/48/388558048.db2.gz GAUZREBQNQNSGT-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](Cc1ccccn1)C(C)C ZINC000520962596 388558836 /nfs/dbraw/zinc/55/88/36/388558836.db2.gz KAFITZLPCLFFEO-HNNXBMFYSA-N 1 0 248.414 3.974 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](Cc1ccccn1)C(C)C ZINC000520962597 388558130 /nfs/dbraw/zinc/55/81/30/388558130.db2.gz KAFITZLPCLFFEO-OAHLLOKOSA-N 1 0 248.414 3.974 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]CC(C)(C)C)c1 ZINC000520965471 256833420 /nfs/dbraw/zinc/83/34/20/256833420.db2.gz AUAPKRGONBPLEV-UHFFFAOYSA-N 1 0 233.399 3.908 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C3CC3)CC2)cs1 ZINC000520972848 353227407 /nfs/dbraw/zinc/22/74/07/353227407.db2.gz OPGJYJURNQNJHP-JTQLQIEISA-N 1 0 221.369 3.650 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C3CC3)CC2)cs1 ZINC000520972850 353227526 /nfs/dbraw/zinc/22/75/26/353227526.db2.gz OPGJYJURNQNJHP-SNVBAGLBSA-N 1 0 221.369 3.650 20 0 BHADRO CC(C)C[N@H+](C)CCSc1ccccc1F ZINC000521070159 388561911 /nfs/dbraw/zinc/56/19/11/388561911.db2.gz JDASZAXQAUTCTM-UHFFFAOYSA-N 1 0 241.375 3.506 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC000521088404 388561599 /nfs/dbraw/zinc/56/15/99/388561599.db2.gz LSRZEPKMRVISEZ-IZIDJEDMSA-N 1 0 229.367 3.822 20 0 BHADRO C[C@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC000521088405 388562245 /nfs/dbraw/zinc/56/22/45/388562245.db2.gz LSRZEPKMRVISEZ-MLBQELRYSA-N 1 0 229.367 3.822 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC000521088406 388561616 /nfs/dbraw/zinc/56/16/16/388561616.db2.gz LSRZEPKMRVISEZ-WCLQSUPFSA-N 1 0 229.367 3.822 20 0 BHADRO C[C@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC000521088407 388562222 /nfs/dbraw/zinc/56/22/22/388562222.db2.gz LSRZEPKMRVISEZ-WGPYJDKQSA-N 1 0 229.367 3.822 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000521089642 256835123 /nfs/dbraw/zinc/83/51/23/256835123.db2.gz KBIOVJLRFSXQSH-CYBMUJFWSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@H](C)CC1 ZINC000521089648 388562190 /nfs/dbraw/zinc/56/21/90/388562190.db2.gz KBIOVJLRFSXQSH-ZDUSSCGKSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H](C)CC2)c1 ZINC000521091700 388561783 /nfs/dbraw/zinc/56/17/83/388561783.db2.gz AKPFOZSWIKWWKJ-CYBMUJFWSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H](C)CC2)c1 ZINC000521091701 388562473 /nfs/dbraw/zinc/56/24/73/388562473.db2.gz AKPFOZSWIKWWKJ-ZDUSSCGKSA-N 1 0 217.356 3.617 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000521092594 388562514 /nfs/dbraw/zinc/56/25/14/388562514.db2.gz NLQIGZMEVHTIGH-ZDUSSCGKSA-N 1 0 247.382 3.626 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1 ZINC000521092705 388561964 /nfs/dbraw/zinc/56/19/64/388561964.db2.gz UXSOZYGOVDPASL-CYBMUJFWSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1 ZINC000521092706 388561981 /nfs/dbraw/zinc/56/19/81/388561981.db2.gz UXSOZYGOVDPASL-ZDUSSCGKSA-N 1 0 217.356 3.617 20 0 BHADRO CC[N@H+](CCC1CC1)CC1Cc2ccccc2C1 ZINC000521128036 388563598 /nfs/dbraw/zinc/56/35/98/388563598.db2.gz ODMHCTLRTZVHFG-UHFFFAOYSA-N 1 0 243.394 3.523 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000521151012 388563098 /nfs/dbraw/zinc/56/30/98/388563098.db2.gz UHSMSDBDGHQRRQ-INWMFGNUSA-N 1 0 229.367 3.652 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000521151013 388562926 /nfs/dbraw/zinc/56/29/26/388562926.db2.gz UHSMSDBDGHQRRQ-IVMMDQJWSA-N 1 0 229.367 3.652 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000521151014 388562855 /nfs/dbraw/zinc/56/28/55/388562855.db2.gz UHSMSDBDGHQRRQ-XNRPHZJLSA-N 1 0 229.367 3.652 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000521151015 388563740 /nfs/dbraw/zinc/56/37/40/388563740.db2.gz UHSMSDBDGHQRRQ-XPKDYRNWSA-N 1 0 229.367 3.652 20 0 BHADRO CCC[N@H+](CC)Cc1csc(C(C)(C)C)n1 ZINC000521187508 363121708 /nfs/dbraw/zinc/12/17/08/363121708.db2.gz OJHNZOLZTADLOX-UHFFFAOYSA-N 1 0 240.416 3.673 20 0 BHADRO CCC[N@H+](CC)Cc1cc(Cl)ccc1OC ZINC000521187622 384873952 /nfs/dbraw/zinc/87/39/52/384873952.db2.gz TYMHUIOAPPENKK-UHFFFAOYSA-N 1 0 241.762 3.581 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC000521188091 324178988 /nfs/dbraw/zinc/17/89/88/324178988.db2.gz LLICCJLHZRHTNA-UHFFFAOYSA-N 1 0 245.288 3.937 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)ccc1C ZINC000521188126 324178976 /nfs/dbraw/zinc/17/89/76/324178976.db2.gz MWJKNNUDFONLSI-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(OC(C)C)c1 ZINC000521188151 711777970 /nfs/dbraw/zinc/77/79/70/711777970.db2.gz OAUQRNHVUBJVEU-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CCOC(C)(C)C ZINC000521188317 324178689 /nfs/dbraw/zinc/17/86/89/324178689.db2.gz ZLSASXNOMNEIGE-AWEZNQCLSA-N 1 0 249.398 3.803 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000521188318 388564275 /nfs/dbraw/zinc/56/42/75/388564275.db2.gz ZLSASXNOMNEIGE-CQSZACIVSA-N 1 0 249.398 3.803 20 0 BHADRO CC(C)CC[N@H+](CCOC(C)C)C1CCCC1 ZINC000521188851 324179199 /nfs/dbraw/zinc/17/91/99/324179199.db2.gz MSAHJRMPCOOWAK-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[N@H+](CCOC(C)C)Cc1ccccc1 ZINC000521189730 324179205 /nfs/dbraw/zinc/17/92/05/324179205.db2.gz PWPLHGMJIILVKW-UHFFFAOYSA-N 1 0 249.398 3.570 20 0 BHADRO CCC[N@@H+](Cc1ccccc1C)CC(C)C ZINC000521192042 324178910 /nfs/dbraw/zinc/17/89/10/324178910.db2.gz URSVRJJQGBNZFP-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO CCC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000521193450 324179041 /nfs/dbraw/zinc/17/90/41/324179041.db2.gz CMKOOGSEENWYEV-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)cc1)CC(C)C ZINC000521193651 324178506 /nfs/dbraw/zinc/17/85/06/324178506.db2.gz MJERWMGSTBBVSM-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO CC(C)=CC[N@@H+](CC(C)C)C1CCCC1 ZINC000521195823 324178940 /nfs/dbraw/zinc/17/89/40/324178940.db2.gz VYMIJJAIYKUIGG-UHFFFAOYSA-N 1 0 209.377 3.853 20 0 BHADRO CC(C)C[N@H+](CCOC(C)(C)C)C1CCCC1 ZINC000521197542 324179087 /nfs/dbraw/zinc/17/90/87/324179087.db2.gz QEGRDMWPTGMNDY-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)CCOC(C)C ZINC000521198724 259515573 /nfs/dbraw/zinc/51/55/73/259515573.db2.gz WORPMZNKTBXBRH-INIZCTEOSA-N 1 0 249.398 3.885 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)CCOC(C)C ZINC000521198725 388564147 /nfs/dbraw/zinc/56/41/47/388564147.db2.gz WORPMZNKTBXBRH-MRXNPFEDSA-N 1 0 249.398 3.885 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)[C@@H]1C[C@H]1C ZINC000521211105 259515622 /nfs/dbraw/zinc/51/56/22/259515622.db2.gz PCTDTNUUGPNABC-BNOWGMLFSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)[C@H]1C[C@@H]1C ZINC000521211108 259515707 /nfs/dbraw/zinc/51/57/07/259515707.db2.gz PCTDTNUUGPNABC-UBHSHLNASA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)[C@H]1C[C@H]1C ZINC000521211109 388564574 /nfs/dbraw/zinc/56/45/74/388564574.db2.gz PCTDTNUUGPNABC-XBFCOCLRSA-N 1 0 237.412 3.705 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)[C@@H]1C[C@@H]1C ZINC000521211110 259515671 /nfs/dbraw/zinc/51/56/71/259515671.db2.gz PCTDTNUUGPNABC-YUTCNCBUSA-N 1 0 237.412 3.705 20 0 BHADRO CCC[N@H+](Cc1cccc2cccnc21)C(C)C ZINC000521267404 388566860 /nfs/dbraw/zinc/56/68/60/388566860.db2.gz PSLRJNDPZQJQFI-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCC1(C)C)C(C)C ZINC000521282987 256838448 /nfs/dbraw/zinc/83/84/48/256838448.db2.gz XHVBPAIXXQSQML-KBPBESRZSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCC1(C)C)C(C)C ZINC000521282988 388568380 /nfs/dbraw/zinc/56/83/80/388568380.db2.gz XHVBPAIXXQSQML-KGLIPLIRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H]1CCC1(C)C)C(C)C ZINC000521282989 388567944 /nfs/dbraw/zinc/56/79/44/388567944.db2.gz XHVBPAIXXQSQML-UONOGXRCSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCC1(C)C)C(C)C ZINC000521282990 388568388 /nfs/dbraw/zinc/56/83/88/388568388.db2.gz XHVBPAIXXQSQML-ZIAGYGMSSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000521287662 388567678 /nfs/dbraw/zinc/56/76/78/388567678.db2.gz ZHBMUCZQFIAVAP-CFVMTHIKSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000521287663 388568235 /nfs/dbraw/zinc/56/82/35/388568235.db2.gz ZHBMUCZQFIAVAP-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000521292766 488341946 /nfs/dbraw/zinc/34/19/46/488341946.db2.gz UKBIVVKKNKNULX-CVEARBPZSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000521292769 488341925 /nfs/dbraw/zinc/34/19/25/488341925.db2.gz UKBIVVKKNKNULX-HOTGVXAUSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000521292770 488341923 /nfs/dbraw/zinc/34/19/23/488341923.db2.gz UKBIVVKKNKNULX-HZPDHXFCSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000521292771 488341912 /nfs/dbraw/zinc/34/19/12/488341912.db2.gz UKBIVVKKNKNULX-JKSUJKDBSA-N 1 0 247.357 3.537 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000521292840 388567721 /nfs/dbraw/zinc/56/77/21/388567721.db2.gz XJDVPBQCDRBWSB-QTAHKJALSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000521292841 388567684 /nfs/dbraw/zinc/56/76/84/388567684.db2.gz XJDVPBQCDRBWSB-UZEXVOJHSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000521292842 388568394 /nfs/dbraw/zinc/56/83/94/388568394.db2.gz XJDVPBQCDRBWSB-VOBJUBJWSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000521292843 388568442 /nfs/dbraw/zinc/56/84/42/388568442.db2.gz XJDVPBQCDRBWSB-ZYGVAYEYSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000521415556 385776993 /nfs/dbraw/zinc/77/69/93/385776993.db2.gz LHCIABXVSIUBFW-CTASWTNQSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000521415557 385777184 /nfs/dbraw/zinc/77/71/84/385777184.db2.gz LHCIABXVSIUBFW-IHRRRGAJSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000521415558 259410038 /nfs/dbraw/zinc/41/00/38/259410038.db2.gz LHCIABXVSIUBFW-KNCOVGOOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000521415559 385775539 /nfs/dbraw/zinc/77/55/39/385775539.db2.gz LHCIABXVSIUBFW-MCIONIFRSA-N 1 0 246.398 3.865 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C(C)C)C1CC1 ZINC000521422815 385802353 /nfs/dbraw/zinc/80/23/53/385802353.db2.gz YSTIVYNPOAXGQD-UHFFFAOYSA-N 1 0 247.382 3.847 20 0 BHADRO CCOCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000521425790 259411455 /nfs/dbraw/zinc/41/14/55/259411455.db2.gz MFUKGGQJGYZBAJ-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCOCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000521425792 385812348 /nfs/dbraw/zinc/81/23/48/385812348.db2.gz MFUKGGQJGYZBAJ-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccco1 ZINC000521451331 387565541 /nfs/dbraw/zinc/56/55/41/387565541.db2.gz ILTQRNJCQKJXET-GXTWGEPZSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccco1 ZINC000521451332 387565787 /nfs/dbraw/zinc/56/57/87/387565787.db2.gz ILTQRNJCQKJXET-JSGCOSHPSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccco1 ZINC000521451333 387565515 /nfs/dbraw/zinc/56/55/15/387565515.db2.gz ILTQRNJCQKJXET-OCCSQVGLSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccco1 ZINC000521451334 387564241 /nfs/dbraw/zinc/56/42/41/387564241.db2.gz ILTQRNJCQKJXET-TZMCWYRMSA-N 1 0 221.344 3.680 20 0 BHADRO C[C@@]1(C[NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000521472701 387794592 /nfs/dbraw/zinc/79/45/92/387794592.db2.gz AWPNHXRLFQIYBV-RDJZCZTQSA-N 1 0 243.394 3.958 20 0 BHADRO CC[N@H+](Cc1cccc(OC)c1)[C@H](C)C(C)C ZINC000521480085 259493114 /nfs/dbraw/zinc/49/31/14/259493114.db2.gz GJWPCQJYRODSPY-CYBMUJFWSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@H+](Cc1cccc(C)c1)[C@H](C)C(C)C ZINC000521480126 259493128 /nfs/dbraw/zinc/49/31/28/259493128.db2.gz JZDVENZKMBOQEH-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO CC[N@H+](CCCOc1ccccc1C)CC(C)C ZINC000521480145 387230545 /nfs/dbraw/zinc/23/05/45/387230545.db2.gz LJYPWWLIBZEOMT-UHFFFAOYSA-N 1 0 249.398 3.742 20 0 BHADRO CC[N@H+](CCCOc1ccccc1)[C@H](C)C(C)C ZINC000521480232 387230135 /nfs/dbraw/zinc/23/01/35/387230135.db2.gz PKDSZMKYUDOXMX-OAHLLOKOSA-N 1 0 249.398 3.822 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000521481297 387972670 /nfs/dbraw/zinc/97/26/70/387972670.db2.gz VJWAVKCJRBUXQX-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000521481298 387972818 /nfs/dbraw/zinc/97/28/18/387972818.db2.gz VJWAVKCJRBUXQX-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000521481299 387973288 /nfs/dbraw/zinc/97/32/88/387973288.db2.gz VJWAVKCJRBUXQX-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000521481300 387974179 /nfs/dbraw/zinc/97/41/79/387974179.db2.gz VJWAVKCJRBUXQX-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO CC[N@H+](Cc1ccccc1C)[C@H](C)C(C)C ZINC000521482648 388567197 /nfs/dbraw/zinc/56/71/97/388567197.db2.gz FHDPQDHWMDDOLH-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2c3ccccc3O[C@H]2C)C1 ZINC000521514273 388612922 /nfs/dbraw/zinc/61/29/22/388612922.db2.gz QRVOZYQNTXWVLG-ITDKRANNSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2c3ccccc3O[C@@H]2C)C1 ZINC000521514274 388612902 /nfs/dbraw/zinc/61/29/02/388612902.db2.gz QRVOZYQNTXWVLG-NEQJSVFRSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2c3ccccc3O[C@@H]2C)C1 ZINC000521514275 388613057 /nfs/dbraw/zinc/61/30/57/388613057.db2.gz QRVOZYQNTXWVLG-OCLKLICZSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2c3ccccc3O[C@H]2C)C1 ZINC000521514276 388612529 /nfs/dbraw/zinc/61/25/29/388612529.db2.gz QRVOZYQNTXWVLG-PIISCBOPSA-N 1 0 245.366 3.533 20 0 BHADRO CC[N@H+](CC1(C)CC1)[C@H](C)c1cccc(O)c1 ZINC000521530829 388616010 /nfs/dbraw/zinc/61/60/10/388616010.db2.gz HUQXAKHJMKQYAP-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO CC[N@H+](CC1(C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000521530830 388615868 /nfs/dbraw/zinc/61/58/68/388615868.db2.gz HUQXAKHJMKQYAP-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO Cc1cc(N(C)CC(C)C)c2ccccc2[nH+]1 ZINC000521565118 388617904 /nfs/dbraw/zinc/61/79/04/388617904.db2.gz RBUBUVYEBJORPJ-UHFFFAOYSA-N 1 0 228.339 3.635 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCc1ncc(C)cc1C ZINC000521621387 388619069 /nfs/dbraw/zinc/61/90/69/388619069.db2.gz WXBQIQASWWCCKY-HNNXBMFYSA-N 1 0 246.398 3.505 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCc1ncc(C)cc1C ZINC000521621388 388619034 /nfs/dbraw/zinc/61/90/34/388619034.db2.gz WXBQIQASWWCCKY-OAHLLOKOSA-N 1 0 246.398 3.505 20 0 BHADRO CCCC[N@H+](CCCCCO)C1CCCCC1 ZINC000521650105 259539350 /nfs/dbraw/zinc/53/93/50/259539350.db2.gz RGZMTLODQPGSJB-UHFFFAOYSA-N 1 0 241.419 3.584 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCCC12CC2 ZINC000521665289 259543642 /nfs/dbraw/zinc/54/36/42/259543642.db2.gz CWHLPBJPTXGXMT-GDBMZVCRSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+][C@@H]1CCCC12CC2 ZINC000521665294 259543569 /nfs/dbraw/zinc/54/35/69/259543569.db2.gz CWHLPBJPTXGXMT-GOEBONIOSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1CCCC12CC2 ZINC000521665300 259543532 /nfs/dbraw/zinc/54/35/32/259543532.db2.gz CWHLPBJPTXGXMT-HOCLYGCPSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCCC12CC2 ZINC000521665306 388624018 /nfs/dbraw/zinc/62/40/18/388624018.db2.gz CWHLPBJPTXGXMT-ZBFHGGJFSA-N 1 0 241.378 3.639 20 0 BHADRO C[C@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000521710620 388626042 /nfs/dbraw/zinc/62/60/42/388626042.db2.gz VRKHFNHGZAIBOT-HNNXBMFYSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000521710621 388626053 /nfs/dbraw/zinc/62/60/53/388626053.db2.gz VRKHFNHGZAIBOT-OAHLLOKOSA-N 1 0 231.383 3.741 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2occc2C)s1 ZINC000521742726 388628046 /nfs/dbraw/zinc/62/80/46/388628046.db2.gz WWNBQVVXTUNYDO-UHFFFAOYSA-N 1 0 249.379 3.844 20 0 BHADRO CCC[N@H+](CC)Cc1c(C)cc(C)cc1C ZINC000521814553 388629561 /nfs/dbraw/zinc/62/95/61/388629561.db2.gz BYEBGQZXOMDYDC-UHFFFAOYSA-N 1 0 219.372 3.844 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1OC(F)F ZINC000521814573 388629141 /nfs/dbraw/zinc/62/91/41/388629141.db2.gz CNJCIUGNHQLDSL-UHFFFAOYSA-N 1 0 243.297 3.520 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC000521814903 388629761 /nfs/dbraw/zinc/62/97/61/388629761.db2.gz RFVKJSZDDFQAED-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO CC[N@H+](CCc1cccs1)CC1CCCC1 ZINC000521817960 388630915 /nfs/dbraw/zinc/63/09/15/388630915.db2.gz BWZGXPFNLLOGAJ-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CCC[N@H+](CCCOC)[C@@H](CC)c1ccccc1 ZINC000521818675 388630634 /nfs/dbraw/zinc/63/06/34/388630634.db2.gz FJQOVGFPGXBMTR-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[N@H+](CCCOC)[C@H](CC)c1ccccc1 ZINC000521818676 388630239 /nfs/dbraw/zinc/63/02/39/388630239.db2.gz FJQOVGFPGXBMTR-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[N@@H+](Cc1cccc(F)c1F)CC(C)C ZINC000521819970 388630110 /nfs/dbraw/zinc/63/01/10/388630110.db2.gz PDSCNFRXPXUNTR-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO CC(C)CC[N@H+](CC(C)C)C1CCCC1 ZINC000521820101 388630102 /nfs/dbraw/zinc/63/01/02/388630102.db2.gz UZKVCBBUSHAUDB-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO CCC[N@H+](CCOCC)[C@@H](CC)c1ccccc1 ZINC000521820130 388630325 /nfs/dbraw/zinc/63/03/25/388630325.db2.gz WSVJVALCOSOHJL-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CCC[N@H+](CCOCC)[C@H](CC)c1ccccc1 ZINC000521820131 388630302 /nfs/dbraw/zinc/63/03/02/388630302.db2.gz WSVJVALCOSOHJL-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO COc1ccccc1/C=C\C[NH2+]C1(C)CCCC1 ZINC000521826229 388632309 /nfs/dbraw/zinc/63/23/09/388632309.db2.gz QYZIKMXUMGUFNQ-CLFYSBASSA-N 1 0 245.366 3.631 20 0 BHADRO COc1ccccc1/C=C/C[NH2+]C1(C)CCCC1 ZINC000521826230 388631937 /nfs/dbraw/zinc/63/19/37/388631937.db2.gz QYZIKMXUMGUFNQ-VQHVLOKHSA-N 1 0 245.366 3.631 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](CC)C(C)(C)C)cc1 ZINC000521827236 388631876 /nfs/dbraw/zinc/63/18/76/388631876.db2.gz MWIOACIKHIVRSS-HNNXBMFYSA-N 1 0 249.398 4.000 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](CC)C(C)(C)C)cc1 ZINC000521827237 259552320 /nfs/dbraw/zinc/55/23/20/259552320.db2.gz MWIOACIKHIVRSS-OAHLLOKOSA-N 1 0 249.398 4.000 20 0 BHADRO CC(C)(C)C[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000521833978 388633800 /nfs/dbraw/zinc/63/38/00/388633800.db2.gz NWEQNUBOCAWYFG-UHFFFAOYSA-N 1 0 249.373 3.883 20 0 BHADRO COCC[N@H+](CCC(C)C)[C@@H](C)c1ccccc1 ZINC000521859445 388635263 /nfs/dbraw/zinc/63/52/63/388635263.db2.gz CCOSKUAGJVPIPS-HNNXBMFYSA-N 1 0 249.398 3.742 20 0 BHADRO COCC[N@H+](CCC(C)C)[C@H](C)c1ccccc1 ZINC000521859446 388635269 /nfs/dbraw/zinc/63/52/69/388635269.db2.gz CCOSKUAGJVPIPS-OAHLLOKOSA-N 1 0 249.398 3.742 20 0 BHADRO CC[N@H+](CCOC(C)(C)C)Cc1ccc(C)cc1 ZINC000521859897 388635217 /nfs/dbraw/zinc/63/52/17/388635217.db2.gz YELUHJVEXNSDAR-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CC[N@H+](CC=C(C)C)Cc1ccc(C)cc1 ZINC000521860714 388635841 /nfs/dbraw/zinc/63/58/41/388635841.db2.gz HMLJHKHPUPZTLL-UHFFFAOYSA-N 1 0 217.356 3.783 20 0 BHADRO CCCC[N@H+](CCOC)Cc1cc(C)cc(C)c1 ZINC000521875960 388638542 /nfs/dbraw/zinc/63/85/42/388638542.db2.gz WNHTYJYFIGEYPV-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO CCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521888732 388639981 /nfs/dbraw/zinc/63/99/81/388639981.db2.gz KWNXPESJGSMSFK-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC(C)C(C[N@H+](C)Cc1ccoc1)C(C)C ZINC000521919908 388667235 /nfs/dbraw/zinc/66/72/35/388667235.db2.gz VUWMPGZHXSTBJX-UHFFFAOYSA-N 1 0 223.360 3.640 20 0 BHADRO CC1(C)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000521931286 388668448 /nfs/dbraw/zinc/66/84/48/388668448.db2.gz ZJCSRZLDGRDPBB-UHFFFAOYSA-N 1 0 240.350 3.861 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1Nc1cc(C)ncn1 ZINC000521932523 388667550 /nfs/dbraw/zinc/66/75/50/388667550.db2.gz UBGBKCCSCCBNRB-CHWSQXEVSA-N 1 0 233.359 3.556 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1Nc1cc(C)ncn1 ZINC000521932524 388667313 /nfs/dbraw/zinc/66/73/13/388667313.db2.gz UBGBKCCSCCBNRB-OLZOCXBDSA-N 1 0 233.359 3.556 20 0 BHADRO CCC[C@H]1CCCC[C@H]1Nc1cc(C)ncn1 ZINC000521932525 388667654 /nfs/dbraw/zinc/66/76/54/388667654.db2.gz UBGBKCCSCCBNRB-QWHCGFSZSA-N 1 0 233.359 3.556 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1Nc1cc(C)ncn1 ZINC000521932526 388667710 /nfs/dbraw/zinc/66/77/10/388667710.db2.gz UBGBKCCSCCBNRB-STQMWFEESA-N 1 0 233.359 3.556 20 0 BHADRO CN(CC1CCCC1)c1cc[nH+]c2ccccc21 ZINC000521934305 388668194 /nfs/dbraw/zinc/66/81/94/388668194.db2.gz CYOQKCJZDFUBIW-UHFFFAOYSA-N 1 0 240.350 3.861 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC2(F)CC2)C1 ZINC000521942238 491116622 /nfs/dbraw/zinc/11/66/22/491116622.db2.gz DPHFGRUQYDVFIP-GXTWGEPZSA-N 1 0 233.330 3.572 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC2(F)CC2)C1 ZINC000521942239 491085271 /nfs/dbraw/zinc/08/52/71/491085271.db2.gz DPHFGRUQYDVFIP-JSGCOSHPSA-N 1 0 233.330 3.572 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC2(F)CC2)C1 ZINC000521942240 491085292 /nfs/dbraw/zinc/08/52/92/491085292.db2.gz DPHFGRUQYDVFIP-OCCSQVGLSA-N 1 0 233.330 3.572 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC2(F)CC2)C1 ZINC000521942241 491085266 /nfs/dbraw/zinc/08/52/66/491085266.db2.gz DPHFGRUQYDVFIP-TZMCWYRMSA-N 1 0 233.330 3.572 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000521944061 388669166 /nfs/dbraw/zinc/66/91/66/388669166.db2.gz FZVMMTAULXKSEW-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000521944062 388668972 /nfs/dbraw/zinc/66/89/72/388668972.db2.gz FZVMMTAULXKSEW-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC12CCC2)C(F)(F)F ZINC000521970007 398104275 /nfs/dbraw/zinc/10/42/75/398104275.db2.gz BQLHWIGEUTZITL-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC12CCC2)C(F)(F)F ZINC000521970008 398104111 /nfs/dbraw/zinc/10/41/11/398104111.db2.gz BQLHWIGEUTZITL-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000522018825 388674902 /nfs/dbraw/zinc/67/49/02/388674902.db2.gz GVRBAUHOVAKJQD-ILXRZTDVSA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000522018826 388674982 /nfs/dbraw/zinc/67/49/82/388674982.db2.gz GVRBAUHOVAKJQD-QLFBSQMISA-N 1 0 235.346 3.864 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1cc(C)on1 ZINC000522019260 388675320 /nfs/dbraw/zinc/67/53/20/388675320.db2.gz ZZCDHFKSKWKECS-GFCCVEGCSA-N 1 0 238.375 3.850 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000522019261 388675290 /nfs/dbraw/zinc/67/52/90/388675290.db2.gz ZZCDHFKSKWKECS-LBPRGKRZSA-N 1 0 238.375 3.850 20 0 BHADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(C)C ZINC000522030782 388675901 /nfs/dbraw/zinc/67/59/01/388675901.db2.gz QAFOUTOOSWRBHZ-HNNXBMFYSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(C)C ZINC000522030784 388675807 /nfs/dbraw/zinc/67/58/07/388675807.db2.gz QAFOUTOOSWRBHZ-OAHLLOKOSA-N 1 0 235.371 3.734 20 0 BHADRO Cc1ccncc1CCC[NH2+]CCCC(C)(C)C ZINC000522035558 388675705 /nfs/dbraw/zinc/67/57/05/388675705.db2.gz YRWYNLXVZIYACD-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO C[N@@H+](Cc1ccc(F)cc1Cl)CC1CCC1 ZINC000522068957 388683098 /nfs/dbraw/zinc/68/30/98/388683098.db2.gz SHMSTQNGWYXDCI-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522069060 388683247 /nfs/dbraw/zinc/68/32/47/388683247.db2.gz XUSJXDUWGLEZCT-GFCCVEGCSA-N 1 0 223.747 3.539 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522069061 388683079 /nfs/dbraw/zinc/68/30/79/388683079.db2.gz XUSJXDUWGLEZCT-LBPRGKRZSA-N 1 0 223.747 3.539 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000522080963 398109103 /nfs/dbraw/zinc/10/91/03/398109103.db2.gz HVCASRDQGQKCSQ-GFCCVEGCSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000522080964 398109133 /nfs/dbraw/zinc/10/91/33/398109133.db2.gz HVCASRDQGQKCSQ-LBPRGKRZSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000522081396 398108674 /nfs/dbraw/zinc/10/86/74/398108674.db2.gz AORCTLYJCILFDJ-HNNXBMFYSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000522081397 398109227 /nfs/dbraw/zinc/10/92/27/398109227.db2.gz AORCTLYJCILFDJ-OAHLLOKOSA-N 1 0 247.382 3.638 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC000522081700 398108834 /nfs/dbraw/zinc/10/88/34/398108834.db2.gz UGUBULBSYYSFLA-GFCCVEGCSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC000522081701 398108744 /nfs/dbraw/zinc/10/87/44/398108744.db2.gz UGUBULBSYYSFLA-LBPRGKRZSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000522082989 324199884 /nfs/dbraw/zinc/19/98/84/324199884.db2.gz YZNJNIIUFZZRID-GFCCVEGCSA-N 1 0 241.737 3.854 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000522082990 324200109 /nfs/dbraw/zinc/20/01/09/324200109.db2.gz YZNJNIIUFZZRID-LBPRGKRZSA-N 1 0 241.737 3.854 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccccc1OC(C)C ZINC000522083479 324199841 /nfs/dbraw/zinc/19/98/41/324199841.db2.gz YIUGNMZRFWYXKR-HNNXBMFYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1OC(C)C ZINC000522083480 324200249 /nfs/dbraw/zinc/20/02/49/324200249.db2.gz YIUGNMZRFWYXKR-OAHLLOKOSA-N 1 0 247.382 3.848 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000522083498 324199668 /nfs/dbraw/zinc/19/96/68/324199668.db2.gz ZOIBXAXSRLICCV-HNNXBMFYSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000522083499 324199242 /nfs/dbraw/zinc/19/92/42/324199242.db2.gz ZOIBXAXSRLICCV-OAHLLOKOSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc(OC(C)C)c1 ZINC000522083677 324200221 /nfs/dbraw/zinc/20/02/21/324200221.db2.gz JTNJCUJNQUAMMG-HNNXBMFYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(OC(C)C)c1 ZINC000522083678 324199402 /nfs/dbraw/zinc/19/94/02/324199402.db2.gz JTNJCUJNQUAMMG-OAHLLOKOSA-N 1 0 247.382 3.848 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)CC2CCC2)c1 ZINC000522097681 388687973 /nfs/dbraw/zinc/68/79/73/388687973.db2.gz TUQQXESZCQISDE-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000522162371 388710406 /nfs/dbraw/zinc/71/04/06/388710406.db2.gz GSYVGILYCXIVLY-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000522162372 388710312 /nfs/dbraw/zinc/71/03/12/388710312.db2.gz GSYVGILYCXIVLY-CQSZACIVSA-N 1 0 209.377 3.687 20 0 BHADRO C[N@H+](Cc1ccccc1Cl)[C@@H]1C=CCCC1 ZINC000522208495 385925374 /nfs/dbraw/zinc/92/53/74/385925374.db2.gz QVKYJTCTMJUPEZ-CYBMUJFWSA-N 1 0 235.758 3.881 20 0 BHADRO C[N@H+](Cc1ccccc1Cl)[C@H]1C=CCCC1 ZINC000522208496 385923664 /nfs/dbraw/zinc/92/36/64/385923664.db2.gz QVKYJTCTMJUPEZ-ZDUSSCGKSA-N 1 0 235.758 3.881 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccc(F)c1 ZINC000522208701 388721253 /nfs/dbraw/zinc/72/12/53/388721253.db2.gz BBKRNNPISSQAOQ-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000522208725 388721909 /nfs/dbraw/zinc/72/19/09/388721909.db2.gz IDXUTCNBUPOBIY-INIZCTEOSA-N 1 0 229.367 3.790 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000522208726 388722097 /nfs/dbraw/zinc/72/20/97/388722097.db2.gz IDXUTCNBUPOBIY-MRXNPFEDSA-N 1 0 229.367 3.790 20 0 BHADRO COc1cccc(C[N@H+](C)CCC(C)(C)C)c1 ZINC000522208781 388721651 /nfs/dbraw/zinc/72/16/51/388721651.db2.gz URMNVWHPOUQUDZ-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO C[N@H+](CC1CCCCC1)[C@H]1C=CCCC1 ZINC000522209037 388722037 /nfs/dbraw/zinc/72/20/37/388722037.db2.gz SIFKHGWRFHMDQP-AWEZNQCLSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](CC1CCCCC1)[C@@H]1C=CCCC1 ZINC000522209038 259613992 /nfs/dbraw/zinc/61/39/92/259613992.db2.gz SIFKHGWRFHMDQP-CQSZACIVSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cccs1 ZINC000522209251 388722102 /nfs/dbraw/zinc/72/21/02/388722102.db2.gz HWTDFSSEBBTFIQ-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(F)cc1 ZINC000522209261 388721301 /nfs/dbraw/zinc/72/13/01/388721301.db2.gz KXVDBOYTNVYNPR-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000522209274 388721815 /nfs/dbraw/zinc/72/18/15/388721815.db2.gz PJLJPBLQBAKGHN-HNNXBMFYSA-N 1 0 215.340 3.536 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000522209275 388721378 /nfs/dbraw/zinc/72/13/78/388721378.db2.gz PJLJPBLQBAKGHN-OAHLLOKOSA-N 1 0 215.340 3.536 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000522209312 388721894 /nfs/dbraw/zinc/72/18/94/388721894.db2.gz UFGXXTQFUGPNOS-HNNXBMFYSA-N 1 0 245.366 3.626 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000522209313 388721479 /nfs/dbraw/zinc/72/14/79/388721479.db2.gz UFGXXTQFUGPNOS-OAHLLOKOSA-N 1 0 245.366 3.626 20 0 BHADRO CC(C)CC[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000522209319 388721773 /nfs/dbraw/zinc/72/17/73/388721773.db2.gz XUTPRLJEIMDPOI-CYBMUJFWSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)CC[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000522209320 388721244 /nfs/dbraw/zinc/72/12/44/388721244.db2.gz XUTPRLJEIMDPOI-ZDUSSCGKSA-N 1 0 207.361 3.606 20 0 BHADRO CCc1nc(C[N@H+](C)CCC(C)(C)C)cs1 ZINC000522209586 388722128 /nfs/dbraw/zinc/72/21/28/388722128.db2.gz FUKIVIBGMHIJGN-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)[C@H]2CCCC[C@H]12 ZINC000522209638 388721352 /nfs/dbraw/zinc/72/13/52/388721352.db2.gz LZXUSCLQWCUJCJ-FPCVCCKLSA-N 1 0 233.399 3.996 20 0 BHADRO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)[C@@H]2CCCC[C@H]12 ZINC000522209639 388721642 /nfs/dbraw/zinc/72/16/42/388721642.db2.gz LZXUSCLQWCUJCJ-KLHDSHLOSA-N 1 0 233.399 3.996 20 0 BHADRO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000522209640 388721542 /nfs/dbraw/zinc/72/15/42/388721542.db2.gz LZXUSCLQWCUJCJ-LVQVYYBASA-N 1 0 233.399 3.996 20 0 BHADRO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)[C@H]2CCCC[C@@H]12 ZINC000522209641 388721990 /nfs/dbraw/zinc/72/19/90/388721990.db2.gz LZXUSCLQWCUJCJ-WCVJEAGWSA-N 1 0 233.399 3.996 20 0 BHADRO COc1ccc(C[N@H+](C)CCC(C)(C)C)cc1 ZINC000522209687 388721751 /nfs/dbraw/zinc/72/17/51/388721751.db2.gz XSVMLLPTEKJFJW-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000522220640 388724295 /nfs/dbraw/zinc/72/42/95/388724295.db2.gz BAUSGCJLWNWREJ-KBPBESRZSA-N 1 0 221.388 3.996 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000522220641 388724197 /nfs/dbraw/zinc/72/41/97/388724197.db2.gz BAUSGCJLWNWREJ-KGLIPLIRSA-N 1 0 221.388 3.996 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000522220642 388724321 /nfs/dbraw/zinc/72/43/21/388724321.db2.gz BAUSGCJLWNWREJ-UONOGXRCSA-N 1 0 221.388 3.996 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000522220643 388724527 /nfs/dbraw/zinc/72/45/27/388724527.db2.gz BAUSGCJLWNWREJ-ZIAGYGMSSA-N 1 0 221.388 3.996 20 0 BHADRO c1ccc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000522220922 259615834 /nfs/dbraw/zinc/61/58/34/259615834.db2.gz VTPPEAJCDJUPLF-CVEARBPZSA-N 1 0 227.351 3.585 20 0 BHADRO c1ccc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000522220923 388724103 /nfs/dbraw/zinc/72/41/03/388724103.db2.gz VTPPEAJCDJUPLF-HOTGVXAUSA-N 1 0 227.351 3.585 20 0 BHADRO c1ccc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000522220924 388724007 /nfs/dbraw/zinc/72/40/07/388724007.db2.gz VTPPEAJCDJUPLF-HZPDHXFCSA-N 1 0 227.351 3.585 20 0 BHADRO c1ccc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000522220925 388723815 /nfs/dbraw/zinc/72/38/15/388723815.db2.gz VTPPEAJCDJUPLF-JKSUJKDBSA-N 1 0 227.351 3.585 20 0 BHADRO CC(C)C[N@H+](C1CCCC1)[C@H]1C=CCCC1 ZINC000522221542 388725751 /nfs/dbraw/zinc/72/57/51/388725751.db2.gz YFZOTZBJDZFXKP-AWEZNQCLSA-N 1 0 221.388 3.996 20 0 BHADRO CC(C)C[N@H+](C1CCCC1)[C@@H]1C=CCCC1 ZINC000522221543 388724974 /nfs/dbraw/zinc/72/49/74/388724974.db2.gz YFZOTZBJDZFXKP-CQSZACIVSA-N 1 0 221.388 3.996 20 0 BHADRO C[N@H+](CCC1CCCCC1)[C@H]1C=CCCC1 ZINC000522221644 259615972 /nfs/dbraw/zinc/61/59/72/259615972.db2.gz HTEFDHXUIKBCPU-HNNXBMFYSA-N 1 0 221.388 3.997 20 0 BHADRO C[N@H+](CCC1CCCCC1)[C@@H]1C=CCCC1 ZINC000522221645 388725036 /nfs/dbraw/zinc/72/50/36/388725036.db2.gz HTEFDHXUIKBCPU-OAHLLOKOSA-N 1 0 221.388 3.997 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000522300945 388747489 /nfs/dbraw/zinc/74/74/89/388747489.db2.gz UCRFFOREZNGFOE-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000522300946 388747907 /nfs/dbraw/zinc/74/79/07/388747907.db2.gz UCRFFOREZNGFOE-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)=CC[N@H+](C)CCC1CCCCC1 ZINC000522332565 388751301 /nfs/dbraw/zinc/75/13/01/388751301.db2.gz MEQNBPJBPHFUPC-UHFFFAOYSA-N 1 0 209.377 3.855 20 0 BHADRO COc1c(C)cc(C[N@H+](C)CC=C(C)C)cc1C ZINC000522341897 388751556 /nfs/dbraw/zinc/75/15/56/388751556.db2.gz DHSCCGVYQMVVPD-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CCc1ccc(CC[N@H+]2CCC[C@@H]2CC)cc1 ZINC000522442949 388755155 /nfs/dbraw/zinc/75/51/55/388755155.db2.gz JBMRIHUORMNEHG-INIZCTEOSA-N 1 0 231.383 3.666 20 0 BHADRO CCc1ccc(CC[N@H+]2CCC[C@H]2CC)cc1 ZINC000522442950 388755433 /nfs/dbraw/zinc/75/54/33/388755433.db2.gz JBMRIHUORMNEHG-MRXNPFEDSA-N 1 0 231.383 3.666 20 0 BHADRO CCc1ccc(CC[N@@H+](CC)CC2CC2)cc1 ZINC000522443130 388755115 /nfs/dbraw/zinc/75/51/15/388755115.db2.gz RJYSQOAKJJWNFA-UHFFFAOYSA-N 1 0 231.383 3.523 20 0 BHADRO CCc1ccc(CC[N@@H+](CC)C(C)C)cc1 ZINC000522447915 259632907 /nfs/dbraw/zinc/63/29/07/259632907.db2.gz GNKFBOLSUICNLF-UHFFFAOYSA-N 1 0 219.372 3.522 20 0 BHADRO CCc1ccc(CC[N@H+](C)Cc2ccco2)cc1 ZINC000522448119 388754934 /nfs/dbraw/zinc/75/49/34/388754934.db2.gz OZPABHKHBMTCPZ-UHFFFAOYSA-N 1 0 243.350 3.517 20 0 BHADRO CC(C)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000522466294 388757267 /nfs/dbraw/zinc/75/72/67/388757267.db2.gz JVDOWZCYEKRBPF-UHFFFAOYSA-N 1 0 235.346 3.694 20 0 BHADRO CCC(CC)[N@H+](Cc1cccc(OC)c1)C1CC1 ZINC000522472349 388756414 /nfs/dbraw/zinc/75/64/14/388756414.db2.gz NRXITOIIGVKOQI-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CCC(CC)[N@H+](Cc1ccccc1)C1CC1 ZINC000522472474 388757159 /nfs/dbraw/zinc/75/71/59/388757159.db2.gz TYLHQJSQIHVGEX-UHFFFAOYSA-N 1 0 217.356 3.840 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000522536347 259633979 /nfs/dbraw/zinc/63/39/79/259633979.db2.gz KNGUCTNVPVJDDM-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC(C)([NH2+]Cc1ccccc1F)c1cccs1 ZINC000522630194 388766107 /nfs/dbraw/zinc/76/61/07/388766107.db2.gz ARSOSSQHDIHONA-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000522659319 388770379 /nfs/dbraw/zinc/77/03/79/388770379.db2.gz NWJCTZMKBTZXPR-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC(C)CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000522660770 388771376 /nfs/dbraw/zinc/77/13/76/388771376.db2.gz OAIFJHYSHYNVIW-UHFFFAOYSA-N 1 0 249.373 3.879 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000522663964 388770604 /nfs/dbraw/zinc/77/06/04/388770604.db2.gz BSTRCJCFBSJTLY-GDBMZVCRSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000522663965 388771091 /nfs/dbraw/zinc/77/10/91/388771091.db2.gz BSTRCJCFBSJTLY-GOEBONIOSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000522663966 388771011 /nfs/dbraw/zinc/77/10/11/388771011.db2.gz BSTRCJCFBSJTLY-HOCLYGCPSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000522663967 388770935 /nfs/dbraw/zinc/77/09/35/388770935.db2.gz BSTRCJCFBSJTLY-ZBFHGGJFSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H](C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000522664164 388771229 /nfs/dbraw/zinc/77/12/29/388771229.db2.gz KSEGIQZSHDWKNA-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000522664165 388771605 /nfs/dbraw/zinc/77/16/05/388771605.db2.gz KSEGIQZSHDWKNA-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CCCC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000522664559 388771322 /nfs/dbraw/zinc/77/13/22/388771322.db2.gz WMVCLWHYHNVWOR-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000522710984 323082206 /nfs/dbraw/zinc/08/22/06/323082206.db2.gz GELXGTBLPSLKBW-KBPBESRZSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000522710985 323082167 /nfs/dbraw/zinc/08/21/67/323082167.db2.gz GELXGTBLPSLKBW-KGLIPLIRSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000522710986 323082194 /nfs/dbraw/zinc/08/21/94/323082194.db2.gz GELXGTBLPSLKBW-UONOGXRCSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000522710987 323082225 /nfs/dbraw/zinc/08/22/25/323082225.db2.gz GELXGTBLPSLKBW-ZIAGYGMSSA-N 1 0 207.361 3.606 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000522711045 323082144 /nfs/dbraw/zinc/08/21/44/323082144.db2.gz ILUFEAACXGBIOB-CYBMUJFWSA-N 1 0 219.372 3.725 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000522711046 323082177 /nfs/dbraw/zinc/08/21/77/323082177.db2.gz ILUFEAACXGBIOB-ZDUSSCGKSA-N 1 0 219.372 3.725 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC000522711168 323082148 /nfs/dbraw/zinc/08/21/48/323082148.db2.gz OLCFXEMDCNCRQM-CYBMUJFWSA-N 1 0 219.372 3.869 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC000522711169 323082227 /nfs/dbraw/zinc/08/22/27/323082227.db2.gz OLCFXEMDCNCRQM-ZDUSSCGKSA-N 1 0 219.372 3.869 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000522711691 323082180 /nfs/dbraw/zinc/08/21/80/323082180.db2.gz LUKNIOCKCZHUFS-CYBMUJFWSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000522711692 323082211 /nfs/dbraw/zinc/08/22/11/323082211.db2.gz LUKNIOCKCZHUFS-ZDUSSCGKSA-N 1 0 235.346 3.838 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCCC[C@H]1C(C)C ZINC000522711721 323082187 /nfs/dbraw/zinc/08/21/87/323082187.db2.gz MMXUSHOLQMARDD-HNNXBMFYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000522711722 323082202 /nfs/dbraw/zinc/08/22/02/323082202.db2.gz MMXUSHOLQMARDD-OAHLLOKOSA-N 1 0 241.419 3.560 20 0 BHADRO CCc1ccc(C[N@@H+](C)C[C@H](C)CC)cc1 ZINC000522712150 259375926 /nfs/dbraw/zinc/37/59/26/259375926.db2.gz FCEKJGYXWPJWCT-CYBMUJFWSA-N 1 0 219.372 3.727 20 0 BHADRO CCc1ccc(C[N@@H+](C)C[C@@H](C)CC)cc1 ZINC000522712151 259376079 /nfs/dbraw/zinc/37/60/79/259376079.db2.gz FCEKJGYXWPJWCT-ZDUSSCGKSA-N 1 0 219.372 3.727 20 0 BHADRO CCc1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000522712776 259375941 /nfs/dbraw/zinc/37/59/41/259375941.db2.gz DLLFWWCMLTZWGK-UHFFFAOYSA-N 1 0 243.394 3.869 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000522713081 323082174 /nfs/dbraw/zinc/08/21/74/323082174.db2.gz QPNVYHUSJFOFGH-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000522713082 323082141 /nfs/dbraw/zinc/08/21/41/323082141.db2.gz QPNVYHUSJFOFGH-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000522713083 323082169 /nfs/dbraw/zinc/08/21/69/323082169.db2.gz QPNVYHUSJFOFGH-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000522713084 323082209 /nfs/dbraw/zinc/08/22/09/323082209.db2.gz QPNVYHUSJFOFGH-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1 ZINC000522713160 323082151 /nfs/dbraw/zinc/08/21/51/323082151.db2.gz SRKCPJOOGATPBL-AWEZNQCLSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1 ZINC000522713161 323082155 /nfs/dbraw/zinc/08/21/55/323082155.db2.gz SRKCPJOOGATPBL-CQSZACIVSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H]1CCC[N@H+](CCOCCC(C)C)CC1 ZINC000522713447 259376158 /nfs/dbraw/zinc/37/61/58/259376158.db2.gz CJZZGGRKTIYBLP-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCOCCC(C)C)CC1 ZINC000522713448 259375875 /nfs/dbraw/zinc/37/58/75/259375875.db2.gz CJZZGGRKTIYBLP-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CCc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000522713851 259375912 /nfs/dbraw/zinc/37/59/12/259375912.db2.gz UHENLJRVMCQMPC-UHFFFAOYSA-N 1 0 219.372 3.727 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522713962 259375813 /nfs/dbraw/zinc/37/58/13/259375813.db2.gz YRGOBGCPCKOMCJ-CYBMUJFWSA-N 1 0 217.356 3.623 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522713963 259375771 /nfs/dbraw/zinc/37/57/71/259375771.db2.gz YRGOBGCPCKOMCJ-ZDUSSCGKSA-N 1 0 217.356 3.623 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)Cc1ccccc1 ZINC000522717185 259375844 /nfs/dbraw/zinc/37/58/44/259375844.db2.gz NSCNHMMSBGHRPA-UHFFFAOYSA-N 1 0 233.399 3.891 20 0 BHADRO CCCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000522775434 350004633 /nfs/dbraw/zinc/00/46/33/350004633.db2.gz VFZBVGXMSXUEQR-HNNXBMFYSA-N 1 0 217.356 3.796 20 0 BHADRO CCCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000522775435 350004556 /nfs/dbraw/zinc/00/45/56/350004556.db2.gz VFZBVGXMSXUEQR-OAHLLOKOSA-N 1 0 217.356 3.796 20 0 BHADRO CCCCC[N@H+](Cc1cccs1)C1CC1 ZINC000522776311 323091867 /nfs/dbraw/zinc/09/18/67/323091867.db2.gz ZHCVLYCXJCZTFQ-UHFFFAOYSA-N 1 0 223.385 3.903 20 0 BHADRO CCCCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000522776567 385867994 /nfs/dbraw/zinc/86/79/94/385867994.db2.gz NZIKLPHNENNXBB-LLVKDONJSA-N 1 0 223.385 3.857 20 0 BHADRO CCCCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000522776568 385868892 /nfs/dbraw/zinc/86/88/92/385868892.db2.gz NZIKLPHNENNXBB-NSHDSACASA-N 1 0 223.385 3.857 20 0 BHADRO CCCCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000522776848 350011505 /nfs/dbraw/zinc/01/15/05/350011505.db2.gz BILZXNRUPAYUCR-UHFFFAOYSA-N 1 0 247.382 3.794 20 0 BHADRO CCC[N@@H+](Cc1ccc(F)c(F)c1)CC(C)C ZINC000522776965 350011522 /nfs/dbraw/zinc/01/15/22/350011522.db2.gz JMYQIVFZTWEHGS-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO COCC[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000522786892 385886262 /nfs/dbraw/zinc/88/62/62/385886262.db2.gz VBKALFWFIFIDJO-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO COCC[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000522786893 385887133 /nfs/dbraw/zinc/88/71/33/385887133.db2.gz VBKALFWFIFIDJO-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000522835221 388773296 /nfs/dbraw/zinc/77/32/96/388773296.db2.gz OPMSYOFTPCBTIW-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000522835222 388773118 /nfs/dbraw/zinc/77/31/18/388773118.db2.gz OPMSYOFTPCBTIW-KGLIPLIRSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000522835223 388773443 /nfs/dbraw/zinc/77/34/43/388773443.db2.gz OPMSYOFTPCBTIW-UONOGXRCSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000522835224 388772795 /nfs/dbraw/zinc/77/27/95/388772795.db2.gz OPMSYOFTPCBTIW-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@H](C)[C@@H]1C)c1ccccc1 ZINC000522837649 388773238 /nfs/dbraw/zinc/77/32/38/388773238.db2.gz BFLXPJTZOQQDSZ-HZSPNIEDSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@@H](C)[C@H]1C)c1ccccc1 ZINC000522837650 388773144 /nfs/dbraw/zinc/77/31/44/388773144.db2.gz BFLXPJTZOQQDSZ-MCIONIFRSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@H](C)[C@H]1C)c1ccccc1 ZINC000522837651 388772220 /nfs/dbraw/zinc/77/22/20/388772220.db2.gz BFLXPJTZOQQDSZ-MGPQQGTHSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](C[N@@H+]1CCS[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000522837652 388773007 /nfs/dbraw/zinc/77/30/07/388773007.db2.gz BFLXPJTZOQQDSZ-RDBSUJKOSA-N 1 0 249.423 3.616 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000522963268 388781622 /nfs/dbraw/zinc/78/16/22/388781622.db2.gz KHOFDDCWQCHODR-INIZCTEOSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000522963269 388782001 /nfs/dbraw/zinc/78/20/01/388782001.db2.gz KHOFDDCWQCHODR-MRXNPFEDSA-N 1 0 249.398 3.598 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000523008029 388787032 /nfs/dbraw/zinc/78/70/32/388787032.db2.gz CLOYGSZTUKSMNE-GFCCVEGCSA-N 1 0 239.790 3.859 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000523008030 388787956 /nfs/dbraw/zinc/78/79/56/388787956.db2.gz 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/nfs/dbraw/zinc/85/02/57/388850257.db2.gz SJVBUSFWYWZOSR-LLVKDONJSA-N 1 0 209.377 3.686 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCC(C)(C)C)C1CC1 ZINC000523666264 388850592 /nfs/dbraw/zinc/85/05/92/388850592.db2.gz SJVBUSFWYWZOSR-NSHDSACASA-N 1 0 209.377 3.686 20 0 BHADRO CC(C)=CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000523669728 388849627 /nfs/dbraw/zinc/84/96/27/388849627.db2.gz OQEWILVSNSZOAB-UHFFFAOYSA-N 1 0 247.357 3.799 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000523701371 259656806 /nfs/dbraw/zinc/65/68/06/259656806.db2.gz JXNMJAXZUOCUFV-HNNXBMFYSA-N 1 0 219.372 3.775 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000523701372 259656650 /nfs/dbraw/zinc/65/66/50/259656650.db2.gz JXNMJAXZUOCUFV-OAHLLOKOSA-N 1 0 219.372 3.775 20 0 BHADRO CC(C)=CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000523760885 388859905 /nfs/dbraw/zinc/85/99/05/388859905.db2.gz OLHIUZCUGJZORA-HNNXBMFYSA-N 1 0 247.407 3.743 20 0 BHADRO CC(C)=CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000523760886 388859333 /nfs/dbraw/zinc/85/93/33/388859333.db2.gz OLHIUZCUGJZORA-OAHLLOKOSA-N 1 0 247.407 3.743 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000523776129 388859735 /nfs/dbraw/zinc/85/97/35/388859735.db2.gz RNDNEESZYCYJNI-CYBMUJFWSA-N 1 0 231.383 3.796 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000523776130 388859900 /nfs/dbraw/zinc/85/99/00/388859900.db2.gz RNDNEESZYCYJNI-ZDUSSCGKSA-N 1 0 231.383 3.796 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000523776581 388859723 /nfs/dbraw/zinc/85/97/23/388859723.db2.gz HGYDFDGEPGBWPP-CYBMUJFWSA-N 1 0 231.383 3.653 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000523776582 388858930 /nfs/dbraw/zinc/85/89/30/388858930.db2.gz HGYDFDGEPGBWPP-ZDUSSCGKSA-N 1 0 231.383 3.653 20 0 BHADRO CC[N@@H+](Cc1ccc2c(c1)CCC2)CC(C)C ZINC000523778205 388858918 /nfs/dbraw/zinc/85/89/18/388858918.db2.gz KEQYBWXUAQCQNC-UHFFFAOYSA-N 1 0 231.383 3.653 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000523788831 259658963 /nfs/dbraw/zinc/65/89/63/259658963.db2.gz NVWCLPDNMBOHKU-GDBMZVCRSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000523788832 388860120 /nfs/dbraw/zinc/86/01/20/388860120.db2.gz NVWCLPDNMBOHKU-GOEBONIOSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000523788833 388858992 /nfs/dbraw/zinc/85/89/92/388858992.db2.gz NVWCLPDNMBOHKU-HOCLYGCPSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000523788834 388859328 /nfs/dbraw/zinc/85/93/28/388859328.db2.gz NVWCLPDNMBOHKU-ZBFHGGJFSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000523789243 388860053 /nfs/dbraw/zinc/86/00/53/388860053.db2.gz CQYCTAIAPUSVQC-DZGCQCFKSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000523789245 259658608 /nfs/dbraw/zinc/65/86/08/259658608.db2.gz CQYCTAIAPUSVQC-HIFRSBDPSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000523789247 388859251 /nfs/dbraw/zinc/85/92/51/388859251.db2.gz CQYCTAIAPUSVQC-UKRRQHHQSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000523789249 388859323 /nfs/dbraw/zinc/85/93/23/388859323.db2.gz CQYCTAIAPUSVQC-ZFWWWQNUSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000523791647 388858908 /nfs/dbraw/zinc/85/89/08/388858908.db2.gz KHLVLDJZLIXCTR-HNNXBMFYSA-N 1 0 249.423 3.823 20 0 BHADRO CC(C)CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000523791648 388859269 /nfs/dbraw/zinc/85/92/69/388859269.db2.gz KHLVLDJZLIXCTR-OAHLLOKOSA-N 1 0 249.423 3.823 20 0 BHADRO CCCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000523791982 388859091 /nfs/dbraw/zinc/85/90/91/388859091.db2.gz ZSFNUEOFISDMRT-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CCC(C)(CC)[NH2+]C/C=C\c1ccccc1OC ZINC000523839928 259659260 /nfs/dbraw/zinc/65/92/60/259659260.db2.gz GBNSIOOXHYGJMN-LUAWRHEFSA-N 1 0 247.382 3.877 20 0 BHADRO CCC[N@@H+](Cc1cccnc1)CC1CCCCC1 ZINC000523841042 388861088 /nfs/dbraw/zinc/86/10/88/388861088.db2.gz GEVYKMOTTUFZNJ-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000523862576 388862007 /nfs/dbraw/zinc/86/20/07/388862007.db2.gz WVDMFCFKUIDLJR-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CCCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000523862577 388863005 /nfs/dbraw/zinc/86/30/05/388863005.db2.gz WVDMFCFKUIDLJR-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO COc1ccc(C)cc1C[NH+]1CCC(C)(C)CC1 ZINC000524025933 388346233 /nfs/dbraw/zinc/34/62/33/388346233.db2.gz PICJIJXGULNUMO-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO C[N@H+](C/C=C/c1ccccc1)CC(C)(C)C ZINC000524026727 259661932 /nfs/dbraw/zinc/66/19/32/259661932.db2.gz IZOWBLCCGJHCPC-DHZHZOJOSA-N 1 0 217.356 3.678 20 0 BHADRO C[N@H+](C/C=C\c1ccccc1)CC(C)(C)C ZINC000524026730 388346169 /nfs/dbraw/zinc/34/61/69/388346169.db2.gz IZOWBLCCGJHCPC-FLIBITNWSA-N 1 0 217.356 3.678 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)CC(C)(C)C ZINC000524026972 388345974 /nfs/dbraw/zinc/34/59/74/388345974.db2.gz UXYXOQDOTBMKJP-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C)cc1C ZINC000524065612 388346888 /nfs/dbraw/zinc/34/68/88/388346888.db2.gz XUXJROQXZDDKEO-INIZCTEOSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1ccc(C)cc1C ZINC000524065617 388347166 /nfs/dbraw/zinc/34/71/66/388347166.db2.gz XUXJROQXZDDKEO-MRXNPFEDSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000524066229 259662854 /nfs/dbraw/zinc/66/28/54/259662854.db2.gz CNZFLRNCUMUJCV-INIZCTEOSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000524066230 388346969 /nfs/dbraw/zinc/34/69/69/388346969.db2.gz CNZFLRNCUMUJCV-MRXNPFEDSA-N 1 0 249.398 3.598 20 0 BHADRO CCc1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000524067354 388347444 /nfs/dbraw/zinc/34/74/44/388347444.db2.gz LVSXEQVPQUZWEA-UHFFFAOYSA-N 1 0 239.362 3.581 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCCC1CC1 ZINC000524067539 259662833 /nfs/dbraw/zinc/66/28/33/259662833.db2.gz YIYWIFLLHWDDPS-OWBHPGMISA-N 1 0 229.367 3.870 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCCC1CC1 ZINC000524067540 388347264 /nfs/dbraw/zinc/34/72/64/388347264.db2.gz YIYWIFLLHWDDPS-WYMLVPIESA-N 1 0 229.367 3.870 20 0 BHADRO CCC[N@H+](CC)Cc1cc(C)nc2ccccc12 ZINC000524081960 388347003 /nfs/dbraw/zinc/34/70/03/388347003.db2.gz JXSDSQYKYAMVPG-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1C2CCC1CC2 ZINC000524081996 388347061 /nfs/dbraw/zinc/34/70/61/388347061.db2.gz MLDFNQBTRUIWLU-GCVQQVDUSA-N 1 0 237.293 3.653 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1C2CCC1CC2 ZINC000524081997 388346847 /nfs/dbraw/zinc/34/68/47/388346847.db2.gz MLDFNQBTRUIWLU-OIKLOGQESA-N 1 0 237.293 3.653 20 0 BHADRO CC(C)CC[NH2+]Cc1cccn1CCC(C)C ZINC000524114674 388347345 /nfs/dbraw/zinc/34/73/45/388347345.db2.gz KEJLBZMXJIUGBC-UHFFFAOYSA-N 1 0 236.403 3.670 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000524156106 388348628 /nfs/dbraw/zinc/34/86/28/388348628.db2.gz JCVKMDLUKKKMNQ-HNNXBMFYSA-N 1 0 235.346 3.633 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000524156107 388348621 /nfs/dbraw/zinc/34/86/21/388348621.db2.gz JCVKMDLUKKKMNQ-OAHLLOKOSA-N 1 0 235.346 3.633 20 0 BHADRO CCCC[N@H+](CCC)Cc1ccc(F)cc1 ZINC000524156118 388348127 /nfs/dbraw/zinc/34/81/27/388348127.db2.gz KPEMDASFONQJHB-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO CC[N@H+](CCCOC(C)C)Cc1ccc(C)cc1 ZINC000524156144 259663227 /nfs/dbraw/zinc/66/32/27/259663227.db2.gz MVMACMYYIVUFSE-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000524156285 388348400 /nfs/dbraw/zinc/34/84/00/388348400.db2.gz JXXYOEUKARLLBY-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000524156839 388348458 /nfs/dbraw/zinc/34/84/58/388348458.db2.gz IWYVMQREXINOCF-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000524156840 388348465 /nfs/dbraw/zinc/34/84/65/388348465.db2.gz IWYVMQREXINOCF-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000524156902 384518387 /nfs/dbraw/zinc/51/83/87/384518387.db2.gz BZGBNCGEGJXVQM-AWEZNQCLSA-N 1 0 221.319 3.763 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000524156903 384517643 /nfs/dbraw/zinc/51/76/43/384517643.db2.gz BZGBNCGEGJXVQM-CQSZACIVSA-N 1 0 221.319 3.763 20 0 BHADRO CCCC[N@H+](C)CCCCc1ccccc1 ZINC000524156910 388348361 /nfs/dbraw/zinc/34/83/61/388348361.db2.gz HALNHULQNHDUKT-UHFFFAOYSA-N 1 0 219.372 3.741 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000524156919 388347927 /nfs/dbraw/zinc/34/79/27/388347927.db2.gz RGEDEMGUUBSKKD-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000524156920 388347946 /nfs/dbraw/zinc/34/79/46/388347946.db2.gz RGEDEMGUUBSKKD-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000524156929 388347891 /nfs/dbraw/zinc/34/78/91/388347891.db2.gz WUSNMYOHMYGZKJ-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000524156930 388347988 /nfs/dbraw/zinc/34/79/88/388347988.db2.gz WUSNMYOHMYGZKJ-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000524156947 388348295 /nfs/dbraw/zinc/34/82/95/388348295.db2.gz JXPMPEZNQVZPTD-OAHLLOKOSA-N 1 0 217.356 3.932 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000524156957 388348197 /nfs/dbraw/zinc/34/81/97/388348197.db2.gz PVKDTEPXHXKXPB-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000524156958 388348287 /nfs/dbraw/zinc/34/82/87/388348287.db2.gz PVKDTEPXHXKXPB-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000524156965 388348447 /nfs/dbraw/zinc/34/84/47/388348447.db2.gz VHOWEGAXPWSHEQ-CYBMUJFWSA-N 1 0 205.345 3.788 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000524156966 259663306 /nfs/dbraw/zinc/66/33/06/259663306.db2.gz VHOWEGAXPWSHEQ-ZDUSSCGKSA-N 1 0 205.345 3.788 20 0 BHADRO CC[N@H+](CCc1cccs1)[C@@H]1C=CCCC1 ZINC000524175746 259664096 /nfs/dbraw/zinc/66/40/96/259664096.db2.gz QKAPHULWRNUNBZ-CYBMUJFWSA-N 1 0 235.396 3.721 20 0 BHADRO CC[N@H+](CCc1cccs1)[C@H]1C=CCCC1 ZINC000524175750 388349014 /nfs/dbraw/zinc/34/90/14/388349014.db2.gz QKAPHULWRNUNBZ-ZDUSSCGKSA-N 1 0 235.396 3.721 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1C ZINC000524251995 388353090 /nfs/dbraw/zinc/35/30/90/388353090.db2.gz WSJMMKPIVVLRFX-AWEZNQCLSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1C ZINC000524251996 388353553 /nfs/dbraw/zinc/35/35/53/388353553.db2.gz WSJMMKPIVVLRFX-CQSZACIVSA-N 1 0 217.356 3.678 20 0 BHADRO CC[N@@H+](Cc1cccc(OC(C)C)c1)CC1CC1 ZINC000524277598 388353935 /nfs/dbraw/zinc/35/39/35/388353935.db2.gz NJVHXQVZZYDFJO-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[N@@H+](Cc1cc(C)cc(C)c1)CC1CC1 ZINC000524277614 388354248 /nfs/dbraw/zinc/35/42/48/388354248.db2.gz TYQMWSKQFJQKSL-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCCCOCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000524307673 388355502 /nfs/dbraw/zinc/35/55/02/388355502.db2.gz OQTYQHKJRPXKGG-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CCCCOCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000524307674 388355089 /nfs/dbraw/zinc/35/50/89/388355089.db2.gz OQTYQHKJRPXKGG-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO C[C@@H](C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000524309933 388355751 /nfs/dbraw/zinc/35/57/51/388355751.db2.gz NYWCOPGFWZXXPV-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000524309934 388355140 /nfs/dbraw/zinc/35/51/40/388355140.db2.gz NYWCOPGFWZXXPV-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CC(C)=CC[N@H+](CC1CC1)C1CCCCC1 ZINC000524367239 388356171 /nfs/dbraw/zinc/35/61/71/388356171.db2.gz QRKDAKWVSGYCHX-UHFFFAOYSA-N 1 0 221.388 3.997 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000524483515 388363623 /nfs/dbraw/zinc/36/36/23/388363623.db2.gz XCWYUMLBOXGBSM-AWEZNQCLSA-N 1 0 209.377 3.711 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000524483516 388363386 /nfs/dbraw/zinc/36/33/86/388363386.db2.gz XCWYUMLBOXGBSM-CQSZACIVSA-N 1 0 209.377 3.711 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C(C)C)C1CC1 ZINC000524591281 388367685 /nfs/dbraw/zinc/36/76/85/388367685.db2.gz CAVSFQQPHQFIBS-UHFFFAOYSA-N 1 0 217.356 3.676 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000524595281 388367057 /nfs/dbraw/zinc/36/70/57/388367057.db2.gz HEZVXSDYGHCRQL-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000524595282 388367149 /nfs/dbraw/zinc/36/71/49/388367149.db2.gz HEZVXSDYGHCRQL-KGLIPLIRSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000524595283 388367506 /nfs/dbraw/zinc/36/75/06/388367506.db2.gz HEZVXSDYGHCRQL-UONOGXRCSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000524595284 388367600 /nfs/dbraw/zinc/36/76/00/388367600.db2.gz HEZVXSDYGHCRQL-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO CC[N@H+](CCCOc1ccccc1C)C1CCC1 ZINC000524595432 388367739 /nfs/dbraw/zinc/36/77/39/388367739.db2.gz KGFRZSIAVJTMEK-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000524595860 388367431 /nfs/dbraw/zinc/36/74/31/388367431.db2.gz XGUCQTJSJIVGSD-HNNXBMFYSA-N 1 0 231.383 3.824 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000524595861 388367671 /nfs/dbraw/zinc/36/76/71/388367671.db2.gz XGUCQTJSJIVGSD-OAHLLOKOSA-N 1 0 231.383 3.824 20 0 BHADRO CCN(Cc1c(F)cccc1Cl)C1CCC1 ZINC000524596399 388367267 /nfs/dbraw/zinc/36/72/67/388367267.db2.gz BWXAHGBVWGAOKY-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000524608227 388679442 /nfs/dbraw/zinc/67/94/42/388679442.db2.gz PABKHZCTBFTAAO-HNNXBMFYSA-N 1 0 217.356 3.841 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000524608228 387896420 /nfs/dbraw/zinc/89/64/20/387896420.db2.gz PABKHZCTBFTAAO-OAHLLOKOSA-N 1 0 217.356 3.841 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCOc1ccccc1 ZINC000524610227 388368854 /nfs/dbraw/zinc/36/88/54/388368854.db2.gz VYEPLXCRDGIYHM-HNNXBMFYSA-N 1 0 247.382 3.720 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1 ZINC000524610229 388368306 /nfs/dbraw/zinc/36/83/06/388368306.db2.gz VYEPLXCRDGIYHM-OAHLLOKOSA-N 1 0 247.382 3.720 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H]1C)c1ccccc1 ZINC000524620077 388368166 /nfs/dbraw/zinc/36/81/66/388368166.db2.gz UJYGYYZDOLNLDL-HZSPNIEDSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000524620078 388368535 /nfs/dbraw/zinc/36/85/35/388368535.db2.gz UJYGYYZDOLNLDL-MCIONIFRSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)C[C@H]1C)c1ccccc1 ZINC000524620079 388368605 /nfs/dbraw/zinc/36/86/05/388368605.db2.gz UJYGYYZDOLNLDL-MGPQQGTHSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000524620080 388368422 /nfs/dbraw/zinc/36/84/22/388368422.db2.gz UJYGYYZDOLNLDL-RDBSUJKOSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000524669157 388372252 /nfs/dbraw/zinc/37/22/52/388372252.db2.gz RLMKHWQPKSDXAQ-INIZCTEOSA-N 1 0 231.383 3.597 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000524669158 388371786 /nfs/dbraw/zinc/37/17/86/388371786.db2.gz RLMKHWQPKSDXAQ-MRXNPFEDSA-N 1 0 231.383 3.597 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C1(c2ccccc2)CC1 ZINC000524687183 259675128 /nfs/dbraw/zinc/67/51/28/259675128.db2.gz BKVQAKGRKYIOAV-JXMROGBWSA-N 1 0 249.357 3.979 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C1(c2ccccc2)CC1 ZINC000524687184 388374858 /nfs/dbraw/zinc/37/48/58/388374858.db2.gz BKVQAKGRKYIOAV-YFHOEESVSA-N 1 0 249.357 3.979 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCC(F)(F)F)C1 ZINC000524717384 259675952 /nfs/dbraw/zinc/67/59/52/259675952.db2.gz CSLGJMIBROLNCD-LLVKDONJSA-N 1 0 237.309 3.841 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCC(F)(F)F)C1 ZINC000524717385 388375761 /nfs/dbraw/zinc/37/57/61/388375761.db2.gz CSLGJMIBROLNCD-NSHDSACASA-N 1 0 237.309 3.841 20 0 BHADRO Fc1ccccc1C1CC[NH+](CC2CCC2)CC1 ZINC000524717645 388375755 /nfs/dbraw/zinc/37/57/55/388375755.db2.gz QEATZNLZKDSQGC-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CCC[N@H+](C[C@H](O)CC)[C@@H](CC)c1ccccc1 ZINC000524753517 388406940 /nfs/dbraw/zinc/40/69/40/388406940.db2.gz OOEZEJTVDSEBHF-CVEARBPZSA-N 1 0 249.398 3.621 20 0 BHADRO CCC[N@H+](C[C@H](O)CC)[C@H](CC)c1ccccc1 ZINC000524753518 388406570 /nfs/dbraw/zinc/40/65/70/388406570.db2.gz OOEZEJTVDSEBHF-HZPDHXFCSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[NH+](CCCC)Cc1ncc(CC)o1 ZINC000524753525 388406774 /nfs/dbraw/zinc/40/67/74/388406774.db2.gz PLLAKNGYWPPOQF-UHFFFAOYSA-N 1 0 238.375 3.639 20 0 BHADRO CSCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000524753910 388406504 /nfs/dbraw/zinc/40/65/04/388406504.db2.gz IAZXTTAUYSKXPX-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO C[N@H+](Cc1cccc2ccccc21)C1CCC1 ZINC000524754899 388406736 /nfs/dbraw/zinc/40/67/36/388406736.db2.gz VFRABLFDNCYKTN-UHFFFAOYSA-N 1 0 225.335 3.824 20 0 BHADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC1CC1 ZINC000524755736 388408177 /nfs/dbraw/zinc/40/81/77/388408177.db2.gz SOTJIUJTWWZQLO-LLVKDONJSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCC1CC1 ZINC000524755737 388408264 /nfs/dbraw/zinc/40/82/64/388408264.db2.gz SOTJIUJTWWZQLO-NSHDSACASA-N 1 0 233.330 3.545 20 0 BHADRO CCc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000524756148 388408299 /nfs/dbraw/zinc/40/82/99/388408299.db2.gz MEJOSPVWJDLVHG-BETUJISGSA-N 1 0 249.423 3.575 20 0 BHADRO CCc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000524756149 388406770 /nfs/dbraw/zinc/40/67/70/388406770.db2.gz MEJOSPVWJDLVHG-CHWSQXEVSA-N 1 0 249.423 3.575 20 0 BHADRO CCc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000524756150 388406546 /nfs/dbraw/zinc/40/65/46/388406546.db2.gz MEJOSPVWJDLVHG-STQMWFEESA-N 1 0 249.423 3.575 20 0 BHADRO C[C@@H](C[NH+]1C[C@@H](C)S[C@H](C)C1)c1ccccc1 ZINC000524756413 388407858 /nfs/dbraw/zinc/40/78/58/388407858.db2.gz JYHIQPLXXXFGJC-BFHYXJOUSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](C[N@H+]1C[C@@H](C)S[C@@H](C)C1)c1ccccc1 ZINC000524756414 388407860 /nfs/dbraw/zinc/40/78/60/388407860.db2.gz JYHIQPLXXXFGJC-MCIONIFRSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@@H](C[N@H+]1C[C@@H](C)S[C@@H](C)C1)c1ccccc1 ZINC000524756416 388407817 /nfs/dbraw/zinc/40/78/17/388407817.db2.gz JYHIQPLXXXFGJC-MELADBBJSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](C[NH+]1C[C@@H](C)S[C@H](C)C1)c1ccccc1 ZINC000524756418 388407740 /nfs/dbraw/zinc/40/77/40/388407740.db2.gz JYHIQPLXXXFGJC-MGPQQGTHSA-N 1 0 249.423 3.616 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000524756711 388407958 /nfs/dbraw/zinc/40/79/58/388407958.db2.gz JNSRQBJOAOONJZ-AWEZNQCLSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000524756712 388407693 /nfs/dbraw/zinc/40/76/93/388407693.db2.gz JNSRQBJOAOONJZ-CQSZACIVSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000524756920 388408219 /nfs/dbraw/zinc/40/82/19/388408219.db2.gz RYTFUWUGSSCGLN-CYBMUJFWSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000524756921 259690075 /nfs/dbraw/zinc/69/00/75/259690075.db2.gz RYTFUWUGSSCGLN-ZDUSSCGKSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)=CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000524757148 388407591 /nfs/dbraw/zinc/40/75/91/388407591.db2.gz FSIHZGOJCAHRJU-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)=CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000524757154 388408297 /nfs/dbraw/zinc/40/82/97/388408297.db2.gz FSIHZGOJCAHRJU-MCIONIFRSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)=CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000524757156 388408244 /nfs/dbraw/zinc/40/82/44/388408244.db2.gz FSIHZGOJCAHRJU-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)=CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000524757157 388407488 /nfs/dbraw/zinc/40/74/88/388407488.db2.gz FSIHZGOJCAHRJU-RDBSUJKOSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1C[NH+](C/C=C\c2ccccc2)C[C@@H](C)S1 ZINC000524757174 388407800 /nfs/dbraw/zinc/40/78/00/388407800.db2.gz GTHJHVJECLNTPI-MVUUYHCISA-N 1 0 247.407 3.526 20 0 BHADRO C[C@@H]1C[NH+](C/C=C/c2ccccc2)C[C@@H](C)S1 ZINC000524757183 388408359 /nfs/dbraw/zinc/40/83/59/388408359.db2.gz GTHJHVJECLNTPI-VAIDBEGPSA-N 1 0 247.407 3.526 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000524757493 388407454 /nfs/dbraw/zinc/40/74/54/388407454.db2.gz XFCRAQBAPQNCJO-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000524757526 388407669 /nfs/dbraw/zinc/40/76/69/388407669.db2.gz ZPIOTEDDGQRWSD-HZSPNIEDSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000524757527 388407484 /nfs/dbraw/zinc/40/74/84/388407484.db2.gz ZPIOTEDDGQRWSD-IHRRRGAJSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000524757528 259690451 /nfs/dbraw/zinc/69/04/51/259690451.db2.gz ZPIOTEDDGQRWSD-MCIONIFRSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000524757529 388408152 /nfs/dbraw/zinc/40/81/52/388408152.db2.gz ZPIOTEDDGQRWSD-MJBXVCDLSA-N 1 0 249.423 3.882 20 0 BHADRO C[C@H](C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000524757660 388407754 /nfs/dbraw/zinc/40/77/54/388407754.db2.gz WYEYSPMHRJXLCR-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000524757661 388407664 /nfs/dbraw/zinc/40/76/64/388407664.db2.gz WYEYSPMHRJXLCR-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO CCc1cnc(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000524758750 388408351 /nfs/dbraw/zinc/40/83/51/388408351.db2.gz UHZNWUWLNHQBDF-UHFFFAOYSA-N 1 0 238.375 3.541 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccccc1C ZINC000524758967 259690333 /nfs/dbraw/zinc/69/03/33/259690333.db2.gz RUBHZOFZUNUMLI-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000524759128 388408091 /nfs/dbraw/zinc/40/80/91/388408091.db2.gz BCAPUQZQHACQQA-CYBMUJFWSA-N 1 0 237.412 3.741 20 0 BHADRO CSCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000524759129 388408306 /nfs/dbraw/zinc/40/83/06/388408306.db2.gz BCAPUQZQHACQQA-ZDUSSCGKSA-N 1 0 237.412 3.741 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000524766297 388408343 /nfs/dbraw/zinc/40/83/43/388408343.db2.gz QXRYWJVYYPFOJJ-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)ccc1OC ZINC000524790537 388410472 /nfs/dbraw/zinc/41/04/72/388410472.db2.gz XXQNGRXHOHPTDK-DZGCQCFKSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)ccc1OC ZINC000524790538 388410590 /nfs/dbraw/zinc/41/05/90/388410590.db2.gz XXQNGRXHOHPTDK-HIFRSBDPSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)ccc1OC ZINC000524790539 259692143 /nfs/dbraw/zinc/69/21/43/259692143.db2.gz XXQNGRXHOHPTDK-UKRRQHHQSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)ccc1OC ZINC000524790540 259691981 /nfs/dbraw/zinc/69/19/81/259691981.db2.gz XXQNGRXHOHPTDK-ZFWWWQNUSA-N 1 0 247.382 3.624 20 0 BHADRO c1ccc2cc(C[NH+]3C4CCC3CC4)ccc2c1 ZINC000524811328 388410746 /nfs/dbraw/zinc/41/07/46/388410746.db2.gz FWPBLTWCPHGBTN-UHFFFAOYSA-N 1 0 237.346 3.967 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]Cc2ccccc2)c1 ZINC000524885336 388412137 /nfs/dbraw/zinc/41/21/37/388412137.db2.gz SPTKKCQLFVFZNA-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCC(F)(F)F ZINC000524893144 388412772 /nfs/dbraw/zinc/41/27/72/388412772.db2.gz CPYNULATZBLGAN-JTQLQIEISA-N 1 0 223.282 3.593 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCC(F)(F)F ZINC000524893145 388412901 /nfs/dbraw/zinc/41/29/01/388412901.db2.gz CPYNULATZBLGAN-SNVBAGLBSA-N 1 0 223.282 3.593 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000524893696 388413036 /nfs/dbraw/zinc/41/30/36/388413036.db2.gz IZPYQCZELNYOAC-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000524893697 388412955 /nfs/dbraw/zinc/41/29/55/388412955.db2.gz IZPYQCZELNYOAC-KGLIPLIRSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000524893698 388413167 /nfs/dbraw/zinc/41/31/67/388413167.db2.gz IZPYQCZELNYOAC-UONOGXRCSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000524893699 388412694 /nfs/dbraw/zinc/41/26/94/388412694.db2.gz IZPYQCZELNYOAC-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000524893807 388412718 /nfs/dbraw/zinc/41/27/18/388412718.db2.gz OWPRIZHLQAQIMN-KBPBESRZSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000524893808 388412978 /nfs/dbraw/zinc/41/29/78/388412978.db2.gz OWPRIZHLQAQIMN-KGLIPLIRSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000524893809 388412974 /nfs/dbraw/zinc/41/29/74/388412974.db2.gz OWPRIZHLQAQIMN-UONOGXRCSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000524893810 388412633 /nfs/dbraw/zinc/41/26/33/388412633.db2.gz OWPRIZHLQAQIMN-ZIAGYGMSSA-N 1 0 217.356 3.534 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](CCc2ccccc2Cl)C1 ZINC000524894667 388413339 /nfs/dbraw/zinc/41/33/39/388413339.db2.gz QBJPLKDHGXYSCP-NEPJUHHUSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1CCc1ccccc1Cl ZINC000524894668 388413435 /nfs/dbraw/zinc/41/34/35/388413435.db2.gz QBJPLKDHGXYSCP-NWDGAFQWSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](CCc2ccccc2Cl)C1 ZINC000524894669 388413403 /nfs/dbraw/zinc/41/34/03/388413403.db2.gz QBJPLKDHGXYSCP-RYUDHWBXSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](CCc2ccccc2Cl)C1 ZINC000524894671 388412668 /nfs/dbraw/zinc/41/26/68/388412668.db2.gz QBJPLKDHGXYSCP-VXGBXAGGSA-N 1 0 237.774 3.613 20 0 BHADRO CCCC[N@H+](CC)CCOC1CCCCCC1 ZINC000524904236 388413251 /nfs/dbraw/zinc/41/32/51/388413251.db2.gz VEHRSOUYOIMESK-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000524906095 388412799 /nfs/dbraw/zinc/41/27/99/388412799.db2.gz ANAYMMAIWNDXLD-GFCCVEGCSA-N 1 0 249.320 3.984 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000524906096 259693505 /nfs/dbraw/zinc/69/35/05/259693505.db2.gz ANAYMMAIWNDXLD-LBPRGKRZSA-N 1 0 249.320 3.984 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCOC1CCCCCC1 ZINC000524906552 388412612 /nfs/dbraw/zinc/41/26/12/388412612.db2.gz NBFVUAFRXOWBIK-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCOC1CCCCCC1 ZINC000524906553 388413260 /nfs/dbraw/zinc/41/32/60/388413260.db2.gz NBFVUAFRXOWBIK-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1CCCC[N@@H+]1CCOC1CCCCCC1 ZINC000524906927 388412546 /nfs/dbraw/zinc/41/25/46/388412546.db2.gz ANAUSWNBZXEFBE-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1CCOC1CCCCCC1 ZINC000524906928 388413044 /nfs/dbraw/zinc/41/30/44/388413044.db2.gz ANAUSWNBZXEFBE-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO CCC(CC)[N@H+](CCC(F)(F)F)C1CC1 ZINC000524906929 259693580 /nfs/dbraw/zinc/69/35/80/259693580.db2.gz AOMMYXLURCWYMV-UHFFFAOYSA-N 1 0 223.282 3.592 20 0 BHADRO C[N@H+](CCOC1CCCCCC1)CC(C)(C)C ZINC000524907216 388412657 /nfs/dbraw/zinc/41/26/57/388412657.db2.gz JCQAEZIMMDEYNE-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1ccon1 ZINC000524907402 388413024 /nfs/dbraw/zinc/41/30/24/388413024.db2.gz CRLSDTCVHJVRLL-UHFFFAOYSA-N 1 0 238.375 3.857 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+]Cc2ccccc2)c1 ZINC000524946524 259693322 /nfs/dbraw/zinc/69/33/22/259693322.db2.gz BDFMMTUAFHLIHE-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+]Cc2ccccc2)c1 ZINC000524946525 388413326 /nfs/dbraw/zinc/41/33/26/388413326.db2.gz BDFMMTUAFHLIHE-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO CCSCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000525110537 388417321 /nfs/dbraw/zinc/41/73/21/388417321.db2.gz SJZZALFMFBDRKA-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO CCSCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000525110538 388416679 /nfs/dbraw/zinc/41/66/79/388416679.db2.gz SJZZALFMFBDRKA-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO CCSCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000525110539 388416721 /nfs/dbraw/zinc/41/67/21/388416721.db2.gz SJZZALFMFBDRKA-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CCSCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000525110540 388416510 /nfs/dbraw/zinc/41/65/10/388416510.db2.gz SJZZALFMFBDRKA-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO C[N@H+](CCC1CCCC1)CC1CCCC1 ZINC000525119432 388416507 /nfs/dbraw/zinc/41/65/07/388416507.db2.gz GMVBXIVQOVLFHK-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO COc1cccc(CCC[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000525119476 388416379 /nfs/dbraw/zinc/41/63/79/388416379.db2.gz JEQMTUZAVMZVSF-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO COc1cccc(CCC[N@H+](C)[C@H](C)C(C)C)c1 ZINC000525119477 388417037 /nfs/dbraw/zinc/41/70/37/388417037.db2.gz JEQMTUZAVMZVSF-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO CC[N@H+](CCC1CCCC1)[C@H](C)C(C)C ZINC000525119546 388416992 /nfs/dbraw/zinc/41/69/92/388416992.db2.gz NFXUACQEKQVFCE-CYBMUJFWSA-N 1 0 211.393 3.933 20 0 BHADRO CC[N@H+](CCC1CCCC1)[C@@H](C)C(C)C ZINC000525119547 259695596 /nfs/dbraw/zinc/69/55/96/259695596.db2.gz NFXUACQEKQVFCE-ZDUSSCGKSA-N 1 0 211.393 3.933 20 0 BHADRO COc1cccc(CCC[N@H+](C)CC(C)(C)C)c1 ZINC000525119738 388416791 /nfs/dbraw/zinc/41/67/91/388416791.db2.gz ICJLECNSTYEPMI-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC[N@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000525119899 388416832 /nfs/dbraw/zinc/41/68/32/388416832.db2.gz YOVYMKCQUVDCCP-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000525119918 388416983 /nfs/dbraw/zinc/41/69/83/388416983.db2.gz ATTSDTJQCNBDPF-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000525119919 388416987 /nfs/dbraw/zinc/41/69/87/388416987.db2.gz ATTSDTJQCNBDPF-IHRRRGAJSA-N 1 0 241.444 3.640 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000525119920 388416895 /nfs/dbraw/zinc/41/68/95/388416895.db2.gz ATTSDTJQCNBDPF-MELADBBJSA-N 1 0 241.444 3.640 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000525119921 388416865 /nfs/dbraw/zinc/41/68/65/388416865.db2.gz ATTSDTJQCNBDPF-MJBXVCDLSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000525120059 388416515 /nfs/dbraw/zinc/41/65/15/388416515.db2.gz PYGDRCULVNBGHM-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000525120060 388416823 /nfs/dbraw/zinc/41/68/23/388416823.db2.gz PYGDRCULVNBGHM-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO C[N@H+](CCC1CCCC1)Cc1cccs1 ZINC000525120374 388416665 /nfs/dbraw/zinc/41/66/65/388416665.db2.gz QVAUXTXJWNMKPA-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO C[N@H+](CCOc1ccccc1)CCC1CCCC1 ZINC000525120614 259695259 /nfs/dbraw/zinc/69/52/59/259695259.db2.gz JHPFGVJWWKOWTL-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525120682 388416656 /nfs/dbraw/zinc/41/66/56/388416656.db2.gz NSYIAOPNYUTXEZ-INIZCTEOSA-N 1 0 229.367 3.517 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525120683 388416320 /nfs/dbraw/zinc/41/63/20/388416320.db2.gz NSYIAOPNYUTXEZ-MRXNPFEDSA-N 1 0 229.367 3.517 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccccc2)[C@H]1C ZINC000525120748 388417027 /nfs/dbraw/zinc/41/70/27/388417027.db2.gz SGPILKGEMXHJLS-CABCVRRESA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H]1CCC[N@H+](CCCc2ccccc2)[C@H]1C ZINC000525120749 388416457 /nfs/dbraw/zinc/41/64/57/388416457.db2.gz SGPILKGEMXHJLS-GJZGRUSLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccccc2)[C@@H]1C ZINC000525120750 388416083 /nfs/dbraw/zinc/41/60/83/388416083.db2.gz SGPILKGEMXHJLS-HUUCEWRRSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCc1ccccc1 ZINC000525120751 388415797 /nfs/dbraw/zinc/41/57/97/388415797.db2.gz SGPILKGEMXHJLS-LSDHHAIUSA-N 1 0 231.383 3.740 20 0 BHADRO CCSCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000525120757 388416943 /nfs/dbraw/zinc/41/69/43/388416943.db2.gz SUBMAFVPUBPGGD-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO CCSCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000525120758 388416597 /nfs/dbraw/zinc/41/65/97/388416597.db2.gz SUBMAFVPUBPGGD-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO C[C@@H]1CCC[N@H+](CC2CCCCC2)[C@@H]1C ZINC000525120867 388416711 /nfs/dbraw/zinc/41/67/11/388416711.db2.gz BBCAJHDJLQHMNM-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[N@H+](CC2CCCCC2)[C@H]1C ZINC000525120868 388417228 /nfs/dbraw/zinc/41/72/28/388417228.db2.gz BBCAJHDJLQHMNM-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CCCCC1 ZINC000525120869 388416571 /nfs/dbraw/zinc/41/65/71/388416571.db2.gz BBCAJHDJLQHMNM-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[N@H+](CC2CCCCC2)[C@H]1C ZINC000525120870 388416694 /nfs/dbraw/zinc/41/66/94/388416694.db2.gz BBCAJHDJLQHMNM-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[N@H+](CCC2CCCC2)[C@@H]1C ZINC000525121007 388416614 /nfs/dbraw/zinc/41/66/14/388416614.db2.gz KLLBNVFURLBSJY-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[N@H+](CCC2CCCC2)[C@H]1C ZINC000525121008 388416889 /nfs/dbraw/zinc/41/68/89/388416889.db2.gz KLLBNVFURLBSJY-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC1CCCC1 ZINC000525121009 388416919 /nfs/dbraw/zinc/41/69/19/388416919.db2.gz KLLBNVFURLBSJY-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[N@H+](CCC2CCCC2)[C@H]1C ZINC000525121010 388416401 /nfs/dbraw/zinc/41/64/01/388416401.db2.gz KLLBNVFURLBSJY-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)C[N@H+](CCC1CCCC1)C1CC1 ZINC000525121029 388416618 /nfs/dbraw/zinc/41/66/18/388416618.db2.gz LZGUJFFFMYTXMS-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525121592 388417189 /nfs/dbraw/zinc/41/71/89/388417189.db2.gz UYUUZHCSSMZTJW-GDBMZVCRSA-N 1 0 231.383 3.912 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525121593 388417114 /nfs/dbraw/zinc/41/71/14/388417114.db2.gz UYUUZHCSSMZTJW-GOEBONIOSA-N 1 0 231.383 3.912 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525121594 388416789 /nfs/dbraw/zinc/41/67/89/388416789.db2.gz UYUUZHCSSMZTJW-HOCLYGCPSA-N 1 0 231.383 3.912 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525121595 259695281 /nfs/dbraw/zinc/69/52/81/259695281.db2.gz UYUUZHCSSMZTJW-ZBFHGGJFSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccccc2F)C1 ZINC000525121844 388416803 /nfs/dbraw/zinc/41/68/03/388416803.db2.gz GZIFZQVVGHHMGV-CHWSQXEVSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC000525121845 388416763 /nfs/dbraw/zinc/41/67/63/388416763.db2.gz GZIFZQVVGHHMGV-OLZOCXBDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccccc1F ZINC000525121846 388417305 /nfs/dbraw/zinc/41/73/05/388417305.db2.gz GZIFZQVVGHHMGV-QWHCGFSZSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC000525121847 388417055 /nfs/dbraw/zinc/41/70/55/388417055.db2.gz GZIFZQVVGHHMGV-STQMWFEESA-N 1 0 235.346 3.836 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000525122806 388416559 /nfs/dbraw/zinc/41/65/59/388416559.db2.gz MVMPQRHPIKPCIP-UHFFFAOYSA-N 1 0 235.293 3.595 20 0 BHADRO CCCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000525123055 259695599 /nfs/dbraw/zinc/69/55/99/259695599.db2.gz UPHPSJMXKJKARH-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525123720 388416974 /nfs/dbraw/zinc/41/69/74/388416974.db2.gz NHCCEJSTOFVDJQ-QLFBSQMISA-N 1 0 229.367 3.726 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525123723 388416746 /nfs/dbraw/zinc/41/67/46/388416746.db2.gz NHCCEJSTOFVDJQ-ZNMIVQPWSA-N 1 0 229.367 3.726 20 0 BHADRO CC1(C)CCC[N@@H+]1CCOC1CCCCCC1 ZINC000525124493 388417924 /nfs/dbraw/zinc/41/79/24/388417924.db2.gz ABGNTCPVIZUSAQ-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO c1ccc(C[C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000525124586 388417912 /nfs/dbraw/zinc/41/79/12/388417912.db2.gz CLXINFMDWVVBJF-DLBZAZTESA-N 1 0 241.378 3.660 20 0 BHADRO c1ccc(C[C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000525124587 388417734 /nfs/dbraw/zinc/41/77/34/388417734.db2.gz CLXINFMDWVVBJF-IAGOWNOFSA-N 1 0 241.378 3.660 20 0 BHADRO c1ccc(C[C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000525124588 388417613 /nfs/dbraw/zinc/41/76/13/388417613.db2.gz CLXINFMDWVVBJF-IRXDYDNUSA-N 1 0 241.378 3.660 20 0 BHADRO c1ccc(C[C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000525124589 388417461 /nfs/dbraw/zinc/41/74/61/388417461.db2.gz CLXINFMDWVVBJF-SJORKVTESA-N 1 0 241.378 3.660 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCCC1(C)C ZINC000525124731 388418009 /nfs/dbraw/zinc/41/80/09/388418009.db2.gz GWGGSEXHKPOJOV-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1 ZINC000525124745 388417708 /nfs/dbraw/zinc/41/77/08/388417708.db2.gz HULWHSDFOBCPSV-KBPBESRZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000525124746 388417693 /nfs/dbraw/zinc/41/76/93/388417693.db2.gz HULWHSDFOBCPSV-KGLIPLIRSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000525124747 388417857 /nfs/dbraw/zinc/41/78/57/388417857.db2.gz HULWHSDFOBCPSV-UONOGXRCSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000525124748 388417680 /nfs/dbraw/zinc/41/76/80/388417680.db2.gz HULWHSDFOBCPSV-ZIAGYGMSSA-N 1 0 217.356 3.615 20 0 BHADRO CCCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000525126355 388417584 /nfs/dbraw/zinc/41/75/84/388417584.db2.gz TXIKPXQLJQGKQJ-HNNXBMFYSA-N 1 0 219.372 3.740 20 0 BHADRO CCCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000525126356 388417556 /nfs/dbraw/zinc/41/75/56/388417556.db2.gz TXIKPXQLJQGKQJ-OAHLLOKOSA-N 1 0 219.372 3.740 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000525126386 259696246 /nfs/dbraw/zinc/69/62/46/259696246.db2.gz UTFHRBFQYLVLTG-GXTWGEPZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000525126387 388417657 /nfs/dbraw/zinc/41/76/57/388417657.db2.gz UTFHRBFQYLVLTG-JSGCOSHPSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000525126388 388418078 /nfs/dbraw/zinc/41/80/78/388418078.db2.gz UTFHRBFQYLVLTG-OCCSQVGLSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000525126436 388417496 /nfs/dbraw/zinc/41/74/96/388417496.db2.gz UTFHRBFQYLVLTG-TZMCWYRMSA-N 1 0 217.356 3.615 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCc1cccc(OC)c1 ZINC000525127044 388417668 /nfs/dbraw/zinc/41/76/68/388417668.db2.gz HDZALHZLBFLVIV-HNNXBMFYSA-N 1 0 247.382 3.502 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCc1cccc(OC)c1 ZINC000525127045 388417480 /nfs/dbraw/zinc/41/74/80/388417480.db2.gz HDZALHZLBFLVIV-OAHLLOKOSA-N 1 0 247.382 3.502 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000525127178 388417615 /nfs/dbraw/zinc/41/76/15/388417615.db2.gz UPESIRLOQOJYJZ-KBPBESRZSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000525127179 388417661 /nfs/dbraw/zinc/41/76/61/388417661.db2.gz UPESIRLOQOJYJZ-KGLIPLIRSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC000525127180 388417628 /nfs/dbraw/zinc/41/76/28/388417628.db2.gz UPESIRLOQOJYJZ-UONOGXRCSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000525127181 388417818 /nfs/dbraw/zinc/41/78/18/388417818.db2.gz UPESIRLOQOJYJZ-ZIAGYGMSSA-N 1 0 217.356 3.615 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000525182232 388419152 /nfs/dbraw/zinc/41/91/52/388419152.db2.gz VWUHUSALKATANP-ARFHVFGLSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000525182233 388419142 /nfs/dbraw/zinc/41/91/42/388419142.db2.gz VWUHUSALKATANP-BZUAXINKSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000525182234 388419349 /nfs/dbraw/zinc/41/93/49/388419349.db2.gz VWUHUSALKATANP-HRCADAONSA-N 1 0 229.367 3.745 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000525182235 388419433 /nfs/dbraw/zinc/41/94/33/388419433.db2.gz VWUHUSALKATANP-OWCLPIDISA-N 1 0 229.367 3.745 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000525182667 388419626 /nfs/dbraw/zinc/41/96/26/388419626.db2.gz KHWGGKDGCGERDY-KBPBESRZSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000525182668 388419403 /nfs/dbraw/zinc/41/94/03/388419403.db2.gz KHWGGKDGCGERDY-KGLIPLIRSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000525182669 259696869 /nfs/dbraw/zinc/69/68/69/259696869.db2.gz KHWGGKDGCGERDY-UONOGXRCSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000525182670 388419714 /nfs/dbraw/zinc/41/97/14/388419714.db2.gz KHWGGKDGCGERDY-ZIAGYGMSSA-N 1 0 247.382 3.622 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1ccc(C)cc1C ZINC000525189682 388419364 /nfs/dbraw/zinc/41/93/64/388419364.db2.gz XHGAXWNCHBSKPN-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO CC[C@@H](C[NH2+]Cc1occc1C)c1ccccc1 ZINC000525190190 388419155 /nfs/dbraw/zinc/41/91/55/388419155.db2.gz XVCROGGYRZJKBA-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO CC[C@H](C[NH2+]Cc1occc1C)c1ccccc1 ZINC000525190191 388419865 /nfs/dbraw/zinc/41/98/65/388419865.db2.gz XVCROGGYRZJKBA-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000525195770 388420742 /nfs/dbraw/zinc/42/07/42/388420742.db2.gz IVBLFZAYQWWBHL-UHFFFAOYSA-N 1 0 245.370 3.621 20 0 BHADRO Cc1cccc(C[N@H+](C)CCc2cccs2)c1 ZINC000525266915 259699183 /nfs/dbraw/zinc/69/91/83/259699183.db2.gz ZCJUTFAXQAVKJY-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO Cc1ccccc1C[N@H+](C)CCc1cccs1 ZINC000525267172 388423302 /nfs/dbraw/zinc/42/33/02/388423302.db2.gz LWNCQKDPTFANMP-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCS1 ZINC000525268766 388423222 /nfs/dbraw/zinc/42/32/22/388423222.db2.gz CNSWECIAFDRQAG-DZGCQCFKSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)CCS1 ZINC000525268767 388423744 /nfs/dbraw/zinc/42/37/44/388423744.db2.gz CNSWECIAFDRQAG-HIFRSBDPSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)[C@H]1C[N@@H+]([C@H](C)c2ccccc2)CCS1 ZINC000525268768 388423023 /nfs/dbraw/zinc/42/30/23/388423023.db2.gz CNSWECIAFDRQAG-UKRRQHHQSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCS1 ZINC000525268769 259699667 /nfs/dbraw/zinc/69/96/67/259699667.db2.gz CNSWECIAFDRQAG-ZFWWWQNUSA-N 1 0 249.423 3.821 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1Cl)C1CCC1 ZINC000525271406 388423473 /nfs/dbraw/zinc/42/34/73/388423473.db2.gz XWJJFDHUYPAHHS-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000525271728 388423823 /nfs/dbraw/zinc/42/38/23/388423823.db2.gz JEGRHCDDZXTTFI-DOMZBBRYSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525271729 388423906 /nfs/dbraw/zinc/42/39/06/388423906.db2.gz JEGRHCDDZXTTFI-IUODEOHRSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525271730 388423810 /nfs/dbraw/zinc/42/38/10/388423810.db2.gz JEGRHCDDZXTTFI-SWLSCSKDSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000525271731 388423190 /nfs/dbraw/zinc/42/31/90/388423190.db2.gz JEGRHCDDZXTTFI-WFASDCNBSA-N 1 0 235.346 3.865 20 0 BHADRO Cc1cc(C)c(C[N@@H+](C)C2CCC2)c(C)c1 ZINC000525272131 388423122 /nfs/dbraw/zinc/42/31/22/388423122.db2.gz KSNZZWZIFGGCMI-UHFFFAOYSA-N 1 0 217.356 3.596 20 0 BHADRO C[N@H+](Cc1ccc2ccccc2c1)C1CCC1 ZINC000525272187 388422990 /nfs/dbraw/zinc/42/29/90/388422990.db2.gz SMNCEXUOGLPWQU-UHFFFAOYSA-N 1 0 225.335 3.824 20 0 BHADRO Cc1cccc(C)c1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000525272566 388423463 /nfs/dbraw/zinc/42/34/63/388423463.db2.gz LRNWUZLENPMKEF-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525272567 388423365 /nfs/dbraw/zinc/42/33/65/388423365.db2.gz LRNWUZLENPMKEF-OKILXGFUSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cccc(C)c1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000525272568 259699175 /nfs/dbraw/zinc/69/91/75/259699175.db2.gz LRNWUZLENPMKEF-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000525272966 388423227 /nfs/dbraw/zinc/42/32/27/388423227.db2.gz GVBVJNFOTAXLKM-AWEZNQCLSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000525272967 388423351 /nfs/dbraw/zinc/42/33/51/388423351.db2.gz GVBVJNFOTAXLKM-CQSZACIVSA-N 1 0 235.346 3.836 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525273669 388423498 /nfs/dbraw/zinc/42/34/98/388423498.db2.gz NKPRJSSAESOUCP-GUTXKFCHSA-N 1 0 249.423 3.964 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000525273670 259699128 /nfs/dbraw/zinc/69/91/28/259699128.db2.gz NKPRJSSAESOUCP-KCQAQPDRSA-N 1 0 249.423 3.964 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000525273671 388423736 /nfs/dbraw/zinc/42/37/36/388423736.db2.gz NKPRJSSAESOUCP-UMVBOHGHSA-N 1 0 249.423 3.964 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525273672 259699210 /nfs/dbraw/zinc/69/92/10/259699210.db2.gz NKPRJSSAESOUCP-VNHYZAJKSA-N 1 0 249.423 3.964 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000525274338 388423056 /nfs/dbraw/zinc/42/30/56/388423056.db2.gz SPDOBOUITHMPHY-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000525274339 388423172 /nfs/dbraw/zinc/42/31/72/388423172.db2.gz SPDOBOUITHMPHY-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000525274735 388423666 /nfs/dbraw/zinc/42/36/66/388423666.db2.gz BPEPYJUBEKGPHO-CHWSQXEVSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000525274736 388423625 /nfs/dbraw/zinc/42/36/25/388423625.db2.gz BPEPYJUBEKGPHO-OLZOCXBDSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000525274737 388423114 /nfs/dbraw/zinc/42/31/14/388423114.db2.gz BPEPYJUBEKGPHO-QWHCGFSZSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000525274738 388423566 /nfs/dbraw/zinc/42/35/66/388423566.db2.gz BPEPYJUBEKGPHO-STQMWFEESA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@@H]2CCCC[C@H]12 ZINC000525275739 388423936 /nfs/dbraw/zinc/42/39/36/388423936.db2.gz RHKLGQXNSBZEDC-BPLDGKMQSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@H]2CCCC[C@@H]12 ZINC000525275740 388423605 /nfs/dbraw/zinc/42/36/05/388423605.db2.gz RHKLGQXNSBZEDC-SNPRPXQTSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@@H]2CCCC[C@@H]12 ZINC000525275741 388423582 /nfs/dbraw/zinc/42/35/82/388423582.db2.gz RHKLGQXNSBZEDC-VHDGCEQUSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CCC2CC2)[C@H]2CCCC[C@H]12 ZINC000525275742 388423469 /nfs/dbraw/zinc/42/34/69/388423469.db2.gz RHKLGQXNSBZEDC-YUELXQCFSA-N 1 0 221.388 3.687 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccccc2Cl)C1 ZINC000525283067 388423857 /nfs/dbraw/zinc/42/38/57/388423857.db2.gz ITBCDMCCLFYUQH-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000525283546 388424460 /nfs/dbraw/zinc/42/44/60/388424460.db2.gz QIRZCCVLMPNDQA-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C)cc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000525307397 388426066 /nfs/dbraw/zinc/42/60/66/388426066.db2.gz RGINBBXXDCDMGG-OKILXGFUSA-N 1 0 247.382 3.767 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000525328282 259701053 /nfs/dbraw/zinc/70/10/53/259701053.db2.gz JIASTWDJBRQHMQ-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000525328283 259701045 /nfs/dbraw/zinc/70/10/45/259701045.db2.gz JIASTWDJBRQHMQ-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000525328284 388425619 /nfs/dbraw/zinc/42/56/19/388425619.db2.gz JIASTWDJBRQHMQ-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000525328285 388425566 /nfs/dbraw/zinc/42/55/66/388425566.db2.gz JIASTWDJBRQHMQ-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO Clc1cccc2c1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000525328462 388425965 /nfs/dbraw/zinc/42/59/65/388425965.db2.gz ZOMIMTYVQVHNCU-CYBMUJFWSA-N 1 0 247.769 3.807 20 0 BHADRO Clc1cccc2c1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000525328463 388425918 /nfs/dbraw/zinc/42/59/18/388425918.db2.gz ZOMIMTYVQVHNCU-ZDUSSCGKSA-N 1 0 247.769 3.807 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCCCOC ZINC000525328773 388426968 /nfs/dbraw/zinc/42/69/68/388426968.db2.gz NNYHNZCYPZYOGA-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCCCOC ZINC000525328774 388426975 /nfs/dbraw/zinc/42/69/75/388426975.db2.gz NNYHNZCYPZYOGA-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCCCOC ZINC000525328775 259701128 /nfs/dbraw/zinc/70/11/28/259701128.db2.gz NNYHNZCYPZYOGA-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCCCOC ZINC000525328776 388426921 /nfs/dbraw/zinc/42/69/21/388426921.db2.gz NNYHNZCYPZYOGA-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO C[N@@H+](Cc1ccc2ccccc2c1)CC1CC1 ZINC000525329042 388426108 /nfs/dbraw/zinc/42/61/08/388426108.db2.gz YBFNGRJWCAIJHN-UHFFFAOYSA-N 1 0 225.335 3.682 20 0 BHADRO CCCCOCC[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000525329279 259701652 /nfs/dbraw/zinc/70/16/52/259701652.db2.gz RUKCIVXDQWMWKJ-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000525329280 388426469 /nfs/dbraw/zinc/42/64/69/388426469.db2.gz RUKCIVXDQWMWKJ-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000525329281 388426328 /nfs/dbraw/zinc/42/63/28/388426328.db2.gz RUKCIVXDQWMWKJ-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000525329282 388426749 /nfs/dbraw/zinc/42/67/49/388426749.db2.gz RUKCIVXDQWMWKJ-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1ccc(SCC[NH+]2CCCCC2)cc1C ZINC000525348973 388426685 /nfs/dbraw/zinc/42/66/85/388426685.db2.gz MEYRYCJXUSYQJX-UHFFFAOYSA-N 1 0 249.423 3.881 20 0 BHADRO Cc1ccc(SCC[NH+]2CCCCC2)c(C)c1 ZINC000525350665 388427014 /nfs/dbraw/zinc/42/70/14/388427014.db2.gz QLENIDUUTPNEGM-UHFFFAOYSA-N 1 0 249.423 3.881 20 0 BHADRO Cc1ccc(C)c(SCC[NH+]2CCCCC2)c1 ZINC000525350932 388426944 /nfs/dbraw/zinc/42/69/44/388426944.db2.gz XMJYXSMATWKBOP-UHFFFAOYSA-N 1 0 249.423 3.881 20 0 BHADRO CC[N@H+](CCOC1CCCCCC1)C1CCC1 ZINC000525407625 388427634 /nfs/dbraw/zinc/42/76/34/388427634.db2.gz BHPJYWVGOWXQGR-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000525407974 259702338 /nfs/dbraw/zinc/70/23/38/259702338.db2.gz LVMXJDZZNKBKAZ-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000525407979 388427874 /nfs/dbraw/zinc/42/78/74/388427874.db2.gz LVMXJDZZNKBKAZ-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000525407981 388427401 /nfs/dbraw/zinc/42/74/01/388427401.db2.gz LVMXJDZZNKBKAZ-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000525407983 388427803 /nfs/dbraw/zinc/42/78/03/388427803.db2.gz LVMXJDZZNKBKAZ-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000525408262 388427913 /nfs/dbraw/zinc/42/79/13/388427913.db2.gz RKKXLQKHRUSGDY-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000525408263 388427437 /nfs/dbraw/zinc/42/74/37/388427437.db2.gz RKKXLQKHRUSGDY-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1C ZINC000525408564 388427247 /nfs/dbraw/zinc/42/72/47/388427247.db2.gz SNKSFKXRVXTOCY-UHFFFAOYSA-N 1 0 231.383 3.924 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000525408628 388428262 /nfs/dbraw/zinc/42/82/62/388428262.db2.gz UZRHMVPPJLRZAB-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000525408629 259702318 /nfs/dbraw/zinc/70/23/18/259702318.db2.gz UZRHMVPPJLRZAB-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2Cl)C1 ZINC000525408630 388428414 /nfs/dbraw/zinc/42/84/14/388428414.db2.gz UZRHMVPPJLRZAB-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccccc1Cl ZINC000525408631 388428496 /nfs/dbraw/zinc/42/84/96/388428496.db2.gz UZRHMVPPJLRZAB-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1cc(C)cc(C)c1)C(C)C ZINC000525409215 388428396 /nfs/dbraw/zinc/42/83/96/388428396.db2.gz RAHHKHPWNHKKIJ-HNNXBMFYSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1cc(C)cc(C)c1)C(C)C ZINC000525409216 388428367 /nfs/dbraw/zinc/42/83/67/388428367.db2.gz RAHHKHPWNHKKIJ-OAHLLOKOSA-N 1 0 249.398 3.549 20 0 BHADRO CC[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000525409301 388428283 /nfs/dbraw/zinc/42/82/83/388428283.db2.gz TUTUTQZEUFYDMV-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO CC[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000525409302 388428655 /nfs/dbraw/zinc/42/86/55/388428655.db2.gz TUTUTQZEUFYDMV-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000525409855 388428910 /nfs/dbraw/zinc/42/89/10/388428910.db2.gz TZJATTPTCCGFED-BXUZGUMPSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000525409856 388428905 /nfs/dbraw/zinc/42/89/05/388428905.db2.gz TZJATTPTCCGFED-FZMZJTMJSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000525409857 388428545 /nfs/dbraw/zinc/42/85/45/388428545.db2.gz TZJATTPTCCGFED-RISCZKNCSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000525409858 259701888 /nfs/dbraw/zinc/70/18/88/259701888.db2.gz TZJATTPTCCGFED-SMDDNHRTSA-N 1 0 217.356 3.534 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000525410451 388428888 /nfs/dbraw/zinc/42/88/88/388428888.db2.gz JCIMBRVUGZKJKY-NXEZZACHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000525410452 388428850 /nfs/dbraw/zinc/42/88/50/388428850.db2.gz JCIMBRVUGZKJKY-UWVGGRQHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(F)cccc1Cl ZINC000525410453 388428459 /nfs/dbraw/zinc/42/84/59/388428459.db2.gz JCIMBRVUGZKJKY-VHSXEESVSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000525410454 388428617 /nfs/dbraw/zinc/42/86/17/388428617.db2.gz JCIMBRVUGZKJKY-ZJUUUORDSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000525410821 388428450 /nfs/dbraw/zinc/42/84/50/388428450.db2.gz LGLUFHYYGPVOLI-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000525410822 388428754 /nfs/dbraw/zinc/42/87/54/388428754.db2.gz LGLUFHYYGPVOLI-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000525410823 388428575 /nfs/dbraw/zinc/42/85/75/388428575.db2.gz LGLUFHYYGPVOLI-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000525410824 388428831 /nfs/dbraw/zinc/42/88/31/388428831.db2.gz LGLUFHYYGPVOLI-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCOC(C)C ZINC000525411466 388428863 /nfs/dbraw/zinc/42/88/63/388428863.db2.gz RPXNWJLNXYXBNV-HNNXBMFYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1CCOC(C)C ZINC000525411467 388429017 /nfs/dbraw/zinc/42/90/17/388429017.db2.gz RPXNWJLNXYXBNV-OAHLLOKOSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCc1ccc(Cl)cc1)C1CC1 ZINC000525422252 259702730 /nfs/dbraw/zinc/70/27/30/259702730.db2.gz POGPTYMRHWIZKM-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO C[N@H+](CCCc1ccc(Cl)cc1)CC1CC1 ZINC000525422319 388428320 /nfs/dbraw/zinc/42/83/20/388428320.db2.gz SUUMTKJPGXPSHN-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC(C)[N@H+](CCOC1CCCCCC1)C1CC1 ZINC000525422707 388428294 /nfs/dbraw/zinc/42/82/94/388428294.db2.gz KDBPRTHQONMBHO-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000525422804 388428507 /nfs/dbraw/zinc/42/85/07/388428507.db2.gz VCTLBVQMAXHNFM-LLVKDONJSA-N 1 0 245.288 3.940 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000525422805 388428640 /nfs/dbraw/zinc/42/86/40/388428640.db2.gz VCTLBVQMAXHNFM-NSHDSACASA-N 1 0 245.288 3.940 20 0 BHADRO C[N@H+](CCC1CCCCC1)CCC(F)(F)F ZINC000525422869 388428549 /nfs/dbraw/zinc/42/85/49/388428549.db2.gz AMMXUIOOSYMKLJ-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO Clc1ccc(CCC[NH+]2C3CCC2CC3)cc1 ZINC000525423021 259702940 /nfs/dbraw/zinc/70/29/40/259702940.db2.gz RZYLNMPNXYUGQP-UHFFFAOYSA-N 1 0 249.785 3.899 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC000525423138 259300345 /nfs/dbraw/zinc/30/03/45/259300345.db2.gz DYSYYDXSPVJMAQ-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC000525423139 259300308 /nfs/dbraw/zinc/30/03/08/259300308.db2.gz DYSYYDXSPVJMAQ-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000525484045 384396940 /nfs/dbraw/zinc/39/69/40/384396940.db2.gz NVGUXYBVQUHSAQ-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000525484046 384397504 /nfs/dbraw/zinc/39/75/04/384397504.db2.gz NVGUXYBVQUHSAQ-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO C(C[N@H+](C1CC1)C1CCCC1)C1CCCC1 ZINC000525622891 259350346 /nfs/dbraw/zinc/35/03/46/259350346.db2.gz MXCUMVQZTZJFSD-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO C[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000525632826 259352264 /nfs/dbraw/zinc/35/22/64/259352264.db2.gz LKJKQQLGIKKARY-CYBMUJFWSA-N 1 0 209.377 3.689 20 0 BHADRO C[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000525632827 259352359 /nfs/dbraw/zinc/35/23/59/259352359.db2.gz LKJKQQLGIKKARY-ZDUSSCGKSA-N 1 0 209.377 3.689 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000525632923 259352394 /nfs/dbraw/zinc/35/23/94/259352394.db2.gz USTCBAXSHPZEEH-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000525632924 259352271 /nfs/dbraw/zinc/35/22/71/259352271.db2.gz USTCBAXSHPZEEH-CQSZACIVSA-N 1 0 209.377 3.687 20 0 BHADRO C[N@H+](CCC1CCCC1)C(C1CC1)C1CC1 ZINC000525633192 384461097 /nfs/dbraw/zinc/46/10/97/384461097.db2.gz QQJRFCONERBXBF-UHFFFAOYSA-N 1 0 221.388 3.687 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000525633341 259352583 /nfs/dbraw/zinc/35/25/83/259352583.db2.gz HESIWDSYFPCJPO-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000525633342 259352486 /nfs/dbraw/zinc/35/24/86/259352486.db2.gz HESIWDSYFPCJPO-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000525633368 384456970 /nfs/dbraw/zinc/45/69/70/384456970.db2.gz ITXCNLUGVBHXPN-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO CC[N@H+](CCCc1cccc(OC)c1)CC(C)C ZINC000525633512 384457173 /nfs/dbraw/zinc/45/71/73/384457173.db2.gz XFSKSJGWKODDFA-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC000525633908 259352500 /nfs/dbraw/zinc/35/25/00/259352500.db2.gz KIMPQBYZVWMIAN-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC(C)[N@H+](CCC1CCCC1)Cc1ccccn1 ZINC000525634450 384480717 /nfs/dbraw/zinc/48/07/17/384480717.db2.gz VNMBIXKKVLCEMH-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC[N@H+](CCCc1cccc(OC)c1)C1CCC1 ZINC000525634582 384480252 /nfs/dbraw/zinc/48/02/52/384480252.db2.gz CZMNYZKGRSRNQP-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000525634600 384480006 /nfs/dbraw/zinc/48/00/06/384480006.db2.gz DOVIYYCYEUOSID-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000525634601 384480111 /nfs/dbraw/zinc/48/01/11/384480111.db2.gz DOVIYYCYEUOSID-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000525634602 384480783 /nfs/dbraw/zinc/48/07/83/384480783.db2.gz DOVIYYCYEUOSID-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000525634603 384480058 /nfs/dbraw/zinc/48/00/58/384480058.db2.gz DOVIYYCYEUOSID-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525635169 384497049 /nfs/dbraw/zinc/49/70/49/384497049.db2.gz KKSSTBLCJKZFAH-HONMWMINSA-N 1 0 249.785 3.989 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525635171 262730987 /nfs/dbraw/zinc/73/09/87/262730987.db2.gz KKSSTBLCJKZFAH-LEWSCRJBSA-N 1 0 249.785 3.989 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC=C(C)C ZINC000525635219 384496489 /nfs/dbraw/zinc/49/64/89/384496489.db2.gz NOHCXFVHYAUPBK-INIZCTEOSA-N 1 0 231.383 3.906 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC=C(C)C ZINC000525635220 384496646 /nfs/dbraw/zinc/49/66/46/384496646.db2.gz NOHCXFVHYAUPBK-MRXNPFEDSA-N 1 0 231.383 3.906 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525635315 259352998 /nfs/dbraw/zinc/35/29/98/259352998.db2.gz SEHBJHHCNMNUMA-INIZCTEOSA-N 1 0 231.383 3.741 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525635316 259353013 /nfs/dbraw/zinc/35/30/13/259353013.db2.gz SEHBJHHCNMNUMA-MRXNPFEDSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525635749 259353116 /nfs/dbraw/zinc/35/31/16/259353116.db2.gz NMEAJFKSBNKYPL-GDBMZVCRSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525635750 259353044 /nfs/dbraw/zinc/35/30/44/259353044.db2.gz NMEAJFKSBNKYPL-GOEBONIOSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525635751 259352802 /nfs/dbraw/zinc/35/28/02/259352802.db2.gz NMEAJFKSBNKYPL-HOCLYGCPSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525635752 259353065 /nfs/dbraw/zinc/35/30/65/259353065.db2.gz NMEAJFKSBNKYPL-ZBFHGGJFSA-N 1 0 231.383 3.768 20 0 BHADRO COc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000525636680 259352877 /nfs/dbraw/zinc/35/28/77/259352877.db2.gz IHBRMNYBGZMUMY-KBPBESRZSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1 ZINC000525636681 259352936 /nfs/dbraw/zinc/35/29/36/259352936.db2.gz IHBRMNYBGZMUMY-KGLIPLIRSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1 ZINC000525636682 259353032 /nfs/dbraw/zinc/35/30/32/259353032.db2.gz IHBRMNYBGZMUMY-UONOGXRCSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1 ZINC000525636683 259352965 /nfs/dbraw/zinc/35/29/65/259352965.db2.gz IHBRMNYBGZMUMY-ZIAGYGMSSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525637153 259352906 /nfs/dbraw/zinc/35/29/06/259352906.db2.gz AHXDVKBLPFPYPO-DZGCQCFKSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525637154 259352838 /nfs/dbraw/zinc/35/28/38/259352838.db2.gz AHXDVKBLPFPYPO-HIFRSBDPSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525637155 259352950 /nfs/dbraw/zinc/35/29/50/259352950.db2.gz AHXDVKBLPFPYPO-UKRRQHHQSA-N 1 0 217.356 3.522 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525637156 259352807 /nfs/dbraw/zinc/35/28/07/259352807.db2.gz AHXDVKBLPFPYPO-ZFWWWQNUSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525637208 259353080 /nfs/dbraw/zinc/35/30/80/259353080.db2.gz CDWZONHDTCCLFP-HONMWMINSA-N 1 0 249.785 3.989 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525637210 259353037 /nfs/dbraw/zinc/35/30/37/259353037.db2.gz CDWZONHDTCCLFP-LEWSCRJBSA-N 1 0 249.785 3.989 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000525637406 259352850 /nfs/dbraw/zinc/35/28/50/259352850.db2.gz MAGPTCPFPXIWNZ-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CCCCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000525637676 259352858 /nfs/dbraw/zinc/35/28/58/259352858.db2.gz XWAPOKNHNXKHFM-CYBMUJFWSA-N 1 0 217.356 3.623 20 0 BHADRO CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000525637677 259353094 /nfs/dbraw/zinc/35/30/94/259353094.db2.gz XWAPOKNHNXKHFM-ZDUSSCGKSA-N 1 0 217.356 3.623 20 0 BHADRO C[C@@H]1Cc2ccccc2C[N@@H+]1CC1CCCC1 ZINC000525638030 259353173 /nfs/dbraw/zinc/35/31/73/259353173.db2.gz PYHYWNCBBWLQPZ-CYBMUJFWSA-N 1 0 229.367 3.623 20 0 BHADRO C[C@H]1Cc2ccccc2C[N@@H+]1CC1CCCC1 ZINC000525638031 259353159 /nfs/dbraw/zinc/35/31/59/259353159.db2.gz PYHYWNCBBWLQPZ-ZDUSSCGKSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000525638690 384570904 /nfs/dbraw/zinc/57/09/04/384570904.db2.gz YCNJDVRDWAOXSC-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000525638845 384646733 /nfs/dbraw/zinc/64/67/33/384646733.db2.gz GGKDWMBZDIGZKB-KBPBESRZSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000525638846 384646210 /nfs/dbraw/zinc/64/62/10/384646210.db2.gz GGKDWMBZDIGZKB-KGLIPLIRSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000525638847 384644736 /nfs/dbraw/zinc/64/47/36/384644736.db2.gz GGKDWMBZDIGZKB-UONOGXRCSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000525638848 384645500 /nfs/dbraw/zinc/64/55/00/384645500.db2.gz GGKDWMBZDIGZKB-ZIAGYGMSSA-N 1 0 247.382 3.624 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000525682725 384261302 /nfs/dbraw/zinc/26/13/02/384261302.db2.gz GRGFYGMWWAHUCI-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000525694691 323027450 /nfs/dbraw/zinc/02/74/50/323027450.db2.gz PGUZHXVQRDPYHX-KBPBESRZSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000525694692 323027469 /nfs/dbraw/zinc/02/74/69/323027469.db2.gz PGUZHXVQRDPYHX-KGLIPLIRSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000525694693 323027540 /nfs/dbraw/zinc/02/75/40/323027540.db2.gz PGUZHXVQRDPYHX-UONOGXRCSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000525694694 323027454 /nfs/dbraw/zinc/02/74/54/323027454.db2.gz PGUZHXVQRDPYHX-ZIAGYGMSSA-N 1 0 235.371 3.689 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)Oc1ccccc1 ZINC000525696218 323029287 /nfs/dbraw/zinc/02/92/87/323029287.db2.gz DIYMLPVVVISYGJ-UHFFFAOYSA-N 1 0 247.382 3.766 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000525697506 323029942 /nfs/dbraw/zinc/02/99/42/323029942.db2.gz PELCZAGWHLCTOZ-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000525697507 323029987 /nfs/dbraw/zinc/02/99/87/323029987.db2.gz PELCZAGWHLCTOZ-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)Cc1cccs1 ZINC000525708962 259359586 /nfs/dbraw/zinc/35/95/86/259359586.db2.gz YPXUWMRWTYQNMA-LLVKDONJSA-N 1 0 249.379 3.618 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000525708963 259359538 /nfs/dbraw/zinc/35/95/38/259359538.db2.gz YPXUWMRWTYQNMA-NSHDSACASA-N 1 0 249.379 3.618 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC(F)(F)F ZINC000525709003 259359580 /nfs/dbraw/zinc/35/95/80/259359580.db2.gz BVNMGJWUNMMAHP-LUAWRHEFSA-N 1 0 243.272 3.632 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC(F)(F)F ZINC000525709004 259359545 /nfs/dbraw/zinc/35/95/45/259359545.db2.gz BVNMGJWUNMMAHP-PKNBQFBNSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000525709099 259359515 /nfs/dbraw/zinc/35/95/15/259359515.db2.gz NPZMDHDVUXXUTR-AAEUAGOBSA-N 1 0 249.423 3.905 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000525709100 259359654 /nfs/dbraw/zinc/35/96/54/259359654.db2.gz NPZMDHDVUXXUTR-DGCLKSJQSA-N 1 0 249.423 3.905 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000525709101 259359507 /nfs/dbraw/zinc/35/95/07/259359507.db2.gz NPZMDHDVUXXUTR-WCQYABFASA-N 1 0 249.423 3.905 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000525709102 259359509 /nfs/dbraw/zinc/35/95/09/259359509.db2.gz NPZMDHDVUXXUTR-YPMHNXCESA-N 1 0 249.423 3.905 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)o1 ZINC000525709400 259359632 /nfs/dbraw/zinc/35/96/32/259359632.db2.gz YKQJYCRPQMPWTJ-CABCVRRESA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)o1 ZINC000525709401 259359547 /nfs/dbraw/zinc/35/95/47/259359547.db2.gz YKQJYCRPQMPWTJ-GJZGRUSLSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000525709402 259359680 /nfs/dbraw/zinc/35/96/80/259359680.db2.gz YKQJYCRPQMPWTJ-HUUCEWRRSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000525709403 259359610 /nfs/dbraw/zinc/35/96/10/259359610.db2.gz YKQJYCRPQMPWTJ-LSDHHAIUSA-N 1 0 233.355 3.646 20 0 BHADRO C[N@H+](CCc1cccs1)CCC(C)(C)C ZINC000525779311 259393576 /nfs/dbraw/zinc/39/35/76/259393576.db2.gz IXQGGWQDBOJOCR-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO C[N@H+](CCc1cccs1)CC1CCCCC1 ZINC000525779504 259394146 /nfs/dbraw/zinc/39/41/46/259394146.db2.gz XHSGJIIRUHFLQR-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CSCCC[N@H+](C)CCC1CCCCC1 ZINC000525779664 259394227 /nfs/dbraw/zinc/39/42/27/259394227.db2.gz MFQLYITYIUOOBQ-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC1CCC1 ZINC000525782188 259395600 /nfs/dbraw/zinc/39/56/00/259395600.db2.gz MTQVPJMRWZZMEM-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC1CCC1 ZINC000525782189 259395727 /nfs/dbraw/zinc/39/57/27/259395727.db2.gz MTQVPJMRWZZMEM-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CC[N@H+](CCC1CC1)[C@H](C)c1cccc(OC)c1 ZINC000525783111 259396173 /nfs/dbraw/zinc/39/61/73/259396173.db2.gz HUZUTDZKJOITEH-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO CC[N@H+](CCC1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000525783112 259396424 /nfs/dbraw/zinc/39/64/24/259396424.db2.gz HUZUTDZKJOITEH-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)CC1CCC1 ZINC000525783185 259396135 /nfs/dbraw/zinc/39/61/35/259396135.db2.gz PSSDBXCKVNAFDD-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@H+](C)CC1CCC1 ZINC000525783186 259396465 /nfs/dbraw/zinc/39/64/65/259396465.db2.gz PSSDBXCKVNAFDD-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000525783724 259396268 /nfs/dbraw/zinc/39/62/68/259396268.db2.gz XVLDNLJQTJSAAG-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000525784355 259396230 /nfs/dbraw/zinc/39/62/30/259396230.db2.gz WMIDISJTHRVSGM-INIZCTEOSA-N 1 0 246.398 3.546 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000525784356 259396036 /nfs/dbraw/zinc/39/60/36/259396036.db2.gz WMIDISJTHRVSGM-MRXNPFEDSA-N 1 0 246.398 3.546 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000525784484 259396404 /nfs/dbraw/zinc/39/64/04/259396404.db2.gz WXSJXOIRQVYFHD-CYBMUJFWSA-N 1 0 243.460 3.888 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000525784485 259396047 /nfs/dbraw/zinc/39/60/47/259396047.db2.gz WXSJXOIRQVYFHD-ZDUSSCGKSA-N 1 0 243.460 3.888 20 0 BHADRO CCCC[N@H+](C[C@H](O)CC)[C@H](C)c1ccccc1 ZINC000525785202 259397183 /nfs/dbraw/zinc/39/71/83/259397183.db2.gz UZZXFKUXAXFCDA-GDBMZVCRSA-N 1 0 249.398 3.621 20 0 BHADRO CCCC[N@H+](C[C@H](O)CC)[C@@H](C)c1ccccc1 ZINC000525785203 259397003 /nfs/dbraw/zinc/39/70/03/259397003.db2.gz UZZXFKUXAXFCDA-GOEBONIOSA-N 1 0 249.398 3.621 20 0 BHADRO Cc1cc(C)cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000525785332 259397093 /nfs/dbraw/zinc/39/70/93/259397093.db2.gz KZTUMDVHLSDMCD-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000525785333 259397197 /nfs/dbraw/zinc/39/71/97/259397197.db2.gz KZTUMDVHLSDMCD-OKILXGFUSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cc(C)cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000525785334 259397067 /nfs/dbraw/zinc/39/70/67/259397067.db2.gz KZTUMDVHLSDMCD-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC1CCC1 ZINC000525785351 259396885 /nfs/dbraw/zinc/39/68/85/259396885.db2.gz OCXDXVWUHMTGEF-LLVKDONJSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CC1CCC1 ZINC000525785352 259396748 /nfs/dbraw/zinc/39/67/48/259396748.db2.gz OCXDXVWUHMTGEF-NSHDSACASA-N 1 0 233.330 3.545 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000525785442 259397036 /nfs/dbraw/zinc/39/70/36/259397036.db2.gz ZOKAJQYZGXSLBL-INIZCTEOSA-N 1 0 246.398 3.690 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000525785443 259397162 /nfs/dbraw/zinc/39/71/62/259397162.db2.gz ZOKAJQYZGXSLBL-MRXNPFEDSA-N 1 0 246.398 3.690 20 0 BHADRO CCC(C)(C)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000525786299 259396739 /nfs/dbraw/zinc/39/67/39/259396739.db2.gz MLFZYQUNPWQVTK-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525786300 259397097 /nfs/dbraw/zinc/39/70/97/259397097.db2.gz MLFZYQUNPWQVTK-TXEJJXNPSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000525786301 259397173 /nfs/dbraw/zinc/39/71/73/259397173.db2.gz MLFZYQUNPWQVTK-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1 ZINC000525786379 259397107 /nfs/dbraw/zinc/39/71/07/259397107.db2.gz ZKHLDLOIDASYQL-HNNXBMFYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1 ZINC000525786380 259396790 /nfs/dbraw/zinc/39/67/90/259396790.db2.gz ZKHLDLOIDASYQL-OAHLLOKOSA-N 1 0 247.382 3.706 20 0 BHADRO CCC(CC)[N@H+](Cc1csc(C)n1)C1CC1 ZINC000525787663 259397446 /nfs/dbraw/zinc/39/74/46/259397446.db2.gz LHPYOKWYHKOTON-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CCC2)[C@@H]2CCCC[C@H]12 ZINC000525787957 259398077 /nfs/dbraw/zinc/39/80/77/259398077.db2.gz PAQACOSOTZQWIL-BPLDGKMQSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CCC2)[C@H]2CCCC[C@@H]12 ZINC000525787958 259397952 /nfs/dbraw/zinc/39/79/52/259397952.db2.gz PAQACOSOTZQWIL-SNPRPXQTSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CCC2)[C@@H]2CCCC[C@@H]12 ZINC000525787959 259397851 /nfs/dbraw/zinc/39/78/51/259397851.db2.gz PAQACOSOTZQWIL-VHDGCEQUSA-N 1 0 221.388 3.687 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CCC2)[C@H]2CCCC[C@H]12 ZINC000525787960 259397887 /nfs/dbraw/zinc/39/78/87/259397887.db2.gz PAQACOSOTZQWIL-YUELXQCFSA-N 1 0 221.388 3.687 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(Cl)cc1 ZINC000525788051 259397837 /nfs/dbraw/zinc/39/78/37/259397837.db2.gz BHCHSYUMFUURLY-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(F)c1F ZINC000525819579 386425869 /nfs/dbraw/zinc/42/58/69/386425869.db2.gz BHYPCLLSNRPUSO-CMPLNLGQSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(F)c1F ZINC000525819580 386426515 /nfs/dbraw/zinc/42/65/15/386426515.db2.gz BHYPCLLSNRPUSO-JQWIXIFHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(F)c1F ZINC000525819581 386426993 /nfs/dbraw/zinc/42/69/93/386426993.db2.gz BHYPCLLSNRPUSO-PWSUYJOCSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(F)c1F ZINC000525819582 386424983 /nfs/dbraw/zinc/42/49/83/386424983.db2.gz BHYPCLLSNRPUSO-ZYHUDNBSSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000525819822 350463766 /nfs/dbraw/zinc/46/37/66/350463766.db2.gz UNFQXDIDDGGXSG-CMPLNLGQSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000525819823 350463747 /nfs/dbraw/zinc/46/37/47/350463747.db2.gz UNFQXDIDDGGXSG-JQWIXIFHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000525819824 350463562 /nfs/dbraw/zinc/46/35/62/350463562.db2.gz UNFQXDIDDGGXSG-PWSUYJOCSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000525819825 350463674 /nfs/dbraw/zinc/46/36/74/350463674.db2.gz UNFQXDIDDGGXSG-ZYHUDNBSSA-N 1 0 239.309 3.585 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccccc1Cl ZINC000525827301 386490249 /nfs/dbraw/zinc/49/02/49/386490249.db2.gz GQVBLZSHLXCGOO-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000525827971 386493535 /nfs/dbraw/zinc/49/35/35/386493535.db2.gz KONPXAXJYYEDSZ-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO CCC[N@H+](CC)Cc1cc(F)ccc1Cl ZINC000525833008 323100115 /nfs/dbraw/zinc/10/01/15/323100115.db2.gz ZRGMFFUKAUXGEO-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CCc1ccccc1C[N@H+](C)Cc1cccs1 ZINC000525833524 323100159 /nfs/dbraw/zinc/10/01/59/323100159.db2.gz LIMHNGFISLAIBJ-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO CCc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000525833541 323100119 /nfs/dbraw/zinc/10/01/19/323100119.db2.gz OYWVEFIXVRNNKA-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000525859042 259440756 /nfs/dbraw/zinc/44/07/56/259440756.db2.gz AOFSAQWBIDGVMJ-GFCCVEGCSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000525859043 386403280 /nfs/dbraw/zinc/40/32/80/386403280.db2.gz AOFSAQWBIDGVMJ-LBPRGKRZSA-N 1 0 247.382 3.782 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CCCC(C)C ZINC000525863586 323178991 /nfs/dbraw/zinc/17/89/91/323178991.db2.gz CSJOWVFHOFFGBP-CYBMUJFWSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CCCC(C)C ZINC000525863587 386497696 /nfs/dbraw/zinc/49/76/96/386497696.db2.gz CSJOWVFHOFFGBP-ZDUSSCGKSA-N 1 0 234.387 3.731 20 0 BHADRO C[C@H](C[N@H+](C)CC1CC1)c1cccc(Cl)c1 ZINC000525864830 386514464 /nfs/dbraw/zinc/51/44/64/386514464.db2.gz HRFGTXBOFBDIBV-LLVKDONJSA-N 1 0 237.774 3.785 20 0 BHADRO C[C@@H](C[N@H+](C)CC1CC1)c1cccc(Cl)c1 ZINC000525864831 386516038 /nfs/dbraw/zinc/51/60/38/386516038.db2.gz HRFGTXBOFBDIBV-NSHDSACASA-N 1 0 237.774 3.785 20 0 BHADRO COC[C@@H](C)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000525865145 259442200 /nfs/dbraw/zinc/44/22/00/259442200.db2.gz MSAUWUHRFWGLLY-AWEZNQCLSA-N 1 0 249.398 3.524 20 0 BHADRO COC[C@H](C)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000525865146 386514100 /nfs/dbraw/zinc/51/41/00/386514100.db2.gz MSAUWUHRFWGLLY-CQSZACIVSA-N 1 0 249.398 3.524 20 0 BHADRO CC[N@H+](CCCCOc1ccccc1)CC(C)C ZINC000525865431 386514168 /nfs/dbraw/zinc/51/41/68/386514168.db2.gz KSOPZNUBFOMERK-UHFFFAOYSA-N 1 0 249.398 3.824 20 0 BHADRO COC[C@@H](C)C[N@H+](CCC(C)C)C1CCCC1 ZINC000525865463 386513656 /nfs/dbraw/zinc/51/36/56/386513656.db2.gz SYHSQKYXTPSRQT-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO COC[C@H](C)C[N@H+](CCC(C)C)C1CCCC1 ZINC000525865464 259441941 /nfs/dbraw/zinc/44/19/41/259441941.db2.gz SYHSQKYXTPSRQT-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)CC1CCC1 ZINC000525865474 386515514 /nfs/dbraw/zinc/51/55/14/386515514.db2.gz VUFRRTLTONCCMG-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)c1ccc(F)cc1 ZINC000525870131 386594227 /nfs/dbraw/zinc/59/42/27/386594227.db2.gz QPBKLTODIDKFPD-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)c1ccc(F)cc1 ZINC000525870132 386593811 /nfs/dbraw/zinc/59/38/11/386593811.db2.gz QPBKLTODIDKFPD-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO COc1cc(C[NH2+]CCCC(C)C)ccc1C ZINC000525870203 386592507 /nfs/dbraw/zinc/59/25/07/386592507.db2.gz FVBUBWUXDRGCBA-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](CCCCOc2ccccc2)C1 ZINC000525874184 386631874 /nfs/dbraw/zinc/63/18/74/386631874.db2.gz SETQGPZZLAIPMO-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](CCCCOc2ccccc2)C1 ZINC000525874185 259444266 /nfs/dbraw/zinc/44/42/66/259444266.db2.gz SETQGPZZLAIPMO-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](CCCCOc2ccccc2)C1 ZINC000525874186 386630049 /nfs/dbraw/zinc/63/00/49/386630049.db2.gz SETQGPZZLAIPMO-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1CCCCOc1ccccc1 ZINC000525874187 386630412 /nfs/dbraw/zinc/63/04/12/386630412.db2.gz SETQGPZZLAIPMO-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CCC[C@H](C)C2)o1 ZINC000525874219 259444165 /nfs/dbraw/zinc/44/41/65/259444165.db2.gz YIOSIHRVQKPQDE-GXTWGEPZSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CCC[C@H](C)C2)o1 ZINC000525874220 386630849 /nfs/dbraw/zinc/63/08/49/386630849.db2.gz YIOSIHRVQKPQDE-JSGCOSHPSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CCC[C@@H](C)C2)o1 ZINC000525874221 386631027 /nfs/dbraw/zinc/63/10/27/386631027.db2.gz YIOSIHRVQKPQDE-OCCSQVGLSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)o1 ZINC000525874222 259444404 /nfs/dbraw/zinc/44/44/04/259444404.db2.gz YIOSIHRVQKPQDE-TZMCWYRMSA-N 1 0 235.371 3.546 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000525874371 323182345 /nfs/dbraw/zinc/18/23/45/323182345.db2.gz BNNFMCBQZSCHCD-NEPJUHHUSA-N 1 0 237.774 3.928 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1C)c1cccc(Cl)c1 ZINC000525874372 323182331 /nfs/dbraw/zinc/18/23/31/323182331.db2.gz BNNFMCBQZSCHCD-NWDGAFQWSA-N 1 0 237.774 3.928 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000525874373 323182348 /nfs/dbraw/zinc/18/23/48/323182348.db2.gz BNNFMCBQZSCHCD-RYUDHWBXSA-N 1 0 237.774 3.928 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1C)c1cccc(Cl)c1 ZINC000525874374 323182339 /nfs/dbraw/zinc/18/23/39/323182339.db2.gz BNNFMCBQZSCHCD-VXGBXAGGSA-N 1 0 237.774 3.928 20 0 BHADRO CC1(C)CCC[N@@H+]1CCCCOc1ccccc1 ZINC000525874483 386632399 /nfs/dbraw/zinc/63/23/99/386632399.db2.gz BVMLFHOKEVYVQU-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CC1(C)CC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000525874686 386631018 /nfs/dbraw/zinc/63/10/18/386631018.db2.gz UALQRCUQFBJMEA-DOTOQJQBSA-N 1 0 243.394 3.981 20 0 BHADRO CC1(C)CC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000525874687 386629885 /nfs/dbraw/zinc/62/98/85/386629885.db2.gz UALQRCUQFBJMEA-NVXWUHKLSA-N 1 0 243.394 3.981 20 0 BHADRO CC1(C)CC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000525874688 386630834 /nfs/dbraw/zinc/63/08/34/386630834.db2.gz UALQRCUQFBJMEA-RDJZCZTQSA-N 1 0 243.394 3.981 20 0 BHADRO CC1(C)CC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000525874689 259444604 /nfs/dbraw/zinc/44/46/04/259444604.db2.gz UALQRCUQFBJMEA-WBVHZDCISA-N 1 0 243.394 3.981 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000525875067 386633088 /nfs/dbraw/zinc/63/30/88/386633088.db2.gz PJHQHMKQEPTTGC-NEPJUHHUSA-N 1 0 237.774 3.785 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000525875068 386635327 /nfs/dbraw/zinc/63/53/27/386635327.db2.gz PJHQHMKQEPTTGC-NWDGAFQWSA-N 1 0 237.774 3.785 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000525875069 386634309 /nfs/dbraw/zinc/63/43/09/386634309.db2.gz PJHQHMKQEPTTGC-RYUDHWBXSA-N 1 0 237.774 3.785 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000525875070 386634285 /nfs/dbraw/zinc/63/42/85/386634285.db2.gz PJHQHMKQEPTTGC-VXGBXAGGSA-N 1 0 237.774 3.785 20 0 BHADRO C[C@H](C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC000525875163 259444564 /nfs/dbraw/zinc/44/45/64/259444564.db2.gz GBEFZEMAHWFWEL-LLVKDONJSA-N 1 0 237.774 3.928 20 0 BHADRO C[C@@H](C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC000525875164 259444555 /nfs/dbraw/zinc/44/45/55/259444555.db2.gz GBEFZEMAHWFWEL-NSHDSACASA-N 1 0 237.774 3.928 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCCOc1ccccc1 ZINC000525875253 386633486 /nfs/dbraw/zinc/63/34/86/386633486.db2.gz ULHNKEYGUNKZHJ-HNNXBMFYSA-N 1 0 249.398 3.824 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCCOc1ccccc1 ZINC000525875254 386633980 /nfs/dbraw/zinc/63/39/80/386633980.db2.gz ULHNKEYGUNKZHJ-OAHLLOKOSA-N 1 0 249.398 3.824 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC000525878940 323183199 /nfs/dbraw/zinc/18/31/99/323183199.db2.gz VAFKZKCCJPIAAI-GFCCVEGCSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC000525878941 323183201 /nfs/dbraw/zinc/18/32/01/323183201.db2.gz VAFKZKCCJPIAAI-LBPRGKRZSA-N 1 0 244.382 3.655 20 0 BHADRO CCC(CC)[N@H+](Cc1cncc(C)c1)C1CC1 ZINC000525949135 357832798 /nfs/dbraw/zinc/83/27/98/357832798.db2.gz AEZOQGVSFGWLFD-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H](C)[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000525976751 353861237 /nfs/dbraw/zinc/86/12/37/353861237.db2.gz ABUZTNRGRPUMOD-CYBMUJFWSA-N 1 0 235.346 3.789 20 0 BHADRO CC[C@H](C)[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000525976752 353861474 /nfs/dbraw/zinc/86/14/74/353861474.db2.gz ABUZTNRGRPUMOD-ZDUSSCGKSA-N 1 0 235.346 3.789 20 0 BHADRO CCC(CC)[N@H+](Cc1cnccc1C)C1CC1 ZINC000525976809 388439183 /nfs/dbraw/zinc/43/91/83/388439183.db2.gz MZWUVNYXROIMJO-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCc1cccc(F)c1C[NH+]1C2CCC1CC2 ZINC000525976850 388438911 /nfs/dbraw/zinc/43/89/11/388438911.db2.gz WMJOIEKSEPBDJY-UHFFFAOYSA-N 1 0 233.330 3.515 20 0 BHADRO CCC[N@H+](Cc1ccc(C)cc1)CC1(F)CC1 ZINC000525976854 388438882 /nfs/dbraw/zinc/43/88/82/388438882.db2.gz XPFRXCBQHZVXAW-UHFFFAOYSA-N 1 0 235.346 3.709 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000525976855 388438689 /nfs/dbraw/zinc/43/86/89/388438689.db2.gz XTZYUCAHIAUIGG-AWEZNQCLSA-N 1 0 233.330 3.634 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000525976856 388438783 /nfs/dbraw/zinc/43/87/83/388438783.db2.gz XTZYUCAHIAUIGG-CQSZACIVSA-N 1 0 233.330 3.634 20 0 BHADRO CC(C)C[N@H+](CCc1ccccc1)CC1(F)CC1 ZINC000525977480 388439983 /nfs/dbraw/zinc/43/99/83/388439983.db2.gz GZQRCLNKDDHSRI-UHFFFAOYSA-N 1 0 249.373 3.689 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC2(F)CC2)cc1 ZINC000525977548 388439974 /nfs/dbraw/zinc/43/99/74/388439974.db2.gz UDLMPOAJKUKYAE-AWEZNQCLSA-N 1 0 233.330 3.634 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2CC2(F)CC2)cc1 ZINC000525977549 388439663 /nfs/dbraw/zinc/43/96/63/388439663.db2.gz UDLMPOAJKUKYAE-CQSZACIVSA-N 1 0 233.330 3.634 20 0 BHADRO FC1(C[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000525977623 388440834 /nfs/dbraw/zinc/44/08/34/388440834.db2.gz HOVCGINWUTVOCF-UHFFFAOYSA-N 1 0 225.351 3.535 20 0 BHADRO CC[N@H+](CC1(F)CC1)[C@H](C)c1ccc(F)cc1 ZINC000525977632 388441429 /nfs/dbraw/zinc/44/14/29/388441429.db2.gz JCHLLYJDYHDDNY-LLVKDONJSA-N 1 0 239.309 3.711 20 0 BHADRO CC[N@H+](CC1(F)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000525977633 388441033 /nfs/dbraw/zinc/44/10/33/388441033.db2.gz JCHLLYJDYHDDNY-NSHDSACASA-N 1 0 239.309 3.711 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](CC2(F)CC2)C1 ZINC000525977784 388441406 /nfs/dbraw/zinc/44/14/06/388441406.db2.gz KAZMNKMPCFQOEL-HNNXBMFYSA-N 1 0 247.357 3.542 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC2(F)CC2)C1 ZINC000525977785 388441326 /nfs/dbraw/zinc/44/13/26/388441326.db2.gz KAZMNKMPCFQOEL-OAHLLOKOSA-N 1 0 247.357 3.542 20 0 BHADRO Cc1ccc(C[N@H+](CC2(F)CC2)C2CC2)cc1C ZINC000525977871 388441164 /nfs/dbraw/zinc/44/11/64/388441164.db2.gz ZQLPNOJCOYKHMZ-UHFFFAOYSA-N 1 0 247.357 3.770 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC2(F)CC2)cc1 ZINC000525977893 388441365 /nfs/dbraw/zinc/44/13/65/388441365.db2.gz FIMSQUFTJPZWAD-HNNXBMFYSA-N 1 0 247.357 3.504 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC2(F)CC2)cc1 ZINC000525977894 259711935 /nfs/dbraw/zinc/71/19/35/259711935.db2.gz FIMSQUFTJPZWAD-OAHLLOKOSA-N 1 0 247.357 3.504 20 0 BHADRO FC1(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000525978575 386843296 /nfs/dbraw/zinc/84/32/96/386843296.db2.gz AILGMQBJNBGJKU-HNNXBMFYSA-N 1 0 247.357 3.758 20 0 BHADRO FC1(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000525978576 386843587 /nfs/dbraw/zinc/84/35/87/386843587.db2.gz AILGMQBJNBGJKU-OAHLLOKOSA-N 1 0 247.357 3.758 20 0 BHADRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC2(F)CC2)c1 ZINC000525978754 388443168 /nfs/dbraw/zinc/44/31/68/388443168.db2.gz CZIQZJOHEAFPNM-HNNXBMFYSA-N 1 0 247.357 3.942 20 0 BHADRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC2(F)CC2)c1 ZINC000525978755 388442972 /nfs/dbraw/zinc/44/29/72/388442972.db2.gz CZIQZJOHEAFPNM-OAHLLOKOSA-N 1 0 247.357 3.942 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1(F)CC1)c1ccccc1 ZINC000525980777 388446204 /nfs/dbraw/zinc/44/62/04/388446204.db2.gz WEWSHPOQLUVPNI-AWEZNQCLSA-N 1 0 235.346 3.518 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1(F)CC1)c1ccccc1 ZINC000525980778 388446403 /nfs/dbraw/zinc/44/64/03/388446403.db2.gz WEWSHPOQLUVPNI-CQSZACIVSA-N 1 0 235.346 3.518 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000525981605 388446818 /nfs/dbraw/zinc/44/68/18/388446818.db2.gz KIRSYMJKXRKQDG-CYBMUJFWSA-N 1 0 239.309 3.855 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000525981606 388446899 /nfs/dbraw/zinc/44/68/99/388446899.db2.gz KIRSYMJKXRKQDG-ZDUSSCGKSA-N 1 0 239.309 3.855 20 0 BHADRO FC1(C[NH2+]CC2(c3ccccc3)CCCC2)CC1 ZINC000525982118 388448165 /nfs/dbraw/zinc/44/81/65/388448165.db2.gz WVXNQUOIPNCNNI-UHFFFAOYSA-N 1 0 247.357 3.590 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CCCOC1)C1CCCCCC1 ZINC000525991681 388452686 /nfs/dbraw/zinc/45/26/86/388452686.db2.gz BWUUHKHTECRNGX-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CCCOC1)C1CCCCCC1 ZINC000525991682 388451284 /nfs/dbraw/zinc/45/12/84/388451284.db2.gz BWUUHKHTECRNGX-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CCCOC1)C1CCCCCC1 ZINC000525991683 388451707 /nfs/dbraw/zinc/45/17/07/388451707.db2.gz BWUUHKHTECRNGX-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CCCOC1)C1CCCCCC1 ZINC000525991684 388451795 /nfs/dbraw/zinc/45/17/95/388451795.db2.gz BWUUHKHTECRNGX-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC3(F)CC3)C2)c1 ZINC000525993572 388452858 /nfs/dbraw/zinc/45/28/58/388452858.db2.gz JTTMXVPTYGBRIP-AWEZNQCLSA-N 1 0 247.357 3.595 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC3(F)CC3)C2)c1 ZINC000525993573 388452338 /nfs/dbraw/zinc/45/23/38/388452338.db2.gz JTTMXVPTYGBRIP-CQSZACIVSA-N 1 0 247.357 3.595 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1(F)CC1)Cc1ccccc1 ZINC000525996030 388452712 /nfs/dbraw/zinc/45/27/12/388452712.db2.gz CFHDTVAXEZSAGT-HNNXBMFYSA-N 1 0 249.373 3.593 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1(F)CC1)Cc1ccccc1 ZINC000525996031 388452585 /nfs/dbraw/zinc/45/25/85/388452585.db2.gz CFHDTVAXEZSAGT-OAHLLOKOSA-N 1 0 249.373 3.593 20 0 BHADRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000525996109 388452667 /nfs/dbraw/zinc/45/26/67/388452667.db2.gz TXJZJBQCUADEAB-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000525996110 388452577 /nfs/dbraw/zinc/45/25/77/388452577.db2.gz TXJZJBQCUADEAB-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000525996111 388452583 /nfs/dbraw/zinc/45/25/83/388452583.db2.gz TXJZJBQCUADEAB-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000525996112 388452669 /nfs/dbraw/zinc/45/26/69/388452669.db2.gz TXJZJBQCUADEAB-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C1CCCC1 ZINC000525996455 388452707 /nfs/dbraw/zinc/45/27/07/388452707.db2.gz GHQFOZUBNDBKRN-IAOVAPTHSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C1CCCC1 ZINC000525996456 388452581 /nfs/dbraw/zinc/45/25/81/388452581.db2.gz GHQFOZUBNDBKRN-JQFCIGGWSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C1CCCC1 ZINC000525996457 388452768 /nfs/dbraw/zinc/45/27/68/388452768.db2.gz GHQFOZUBNDBKRN-RRQGHBQHSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C1CCCC1 ZINC000525996458 388452698 /nfs/dbraw/zinc/45/26/98/388452698.db2.gz GHQFOZUBNDBKRN-XKQJLSEDSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](C[NH+]1[C@H](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000525996704 388453391 /nfs/dbraw/zinc/45/33/91/388453391.db2.gz XUVYDBBRXHEORJ-IJLUTSLNSA-N 1 0 237.774 3.926 20 0 BHADRO C[C@@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996705 388454289 /nfs/dbraw/zinc/45/42/89/388454289.db2.gz XUVYDBBRXHEORJ-SDDRHHMPSA-N 1 0 237.774 3.926 20 0 BHADRO C[C@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996706 388453976 /nfs/dbraw/zinc/45/39/76/388453976.db2.gz XUVYDBBRXHEORJ-UTUOFQBUSA-N 1 0 237.774 3.926 20 0 BHADRO C[C@H](C[NH+]1[C@@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996707 388454115 /nfs/dbraw/zinc/45/41/15/388454115.db2.gz XUVYDBBRXHEORJ-WOPDTQHZSA-N 1 0 237.774 3.926 20 0 BHADRO Cc1cc(C)c(C[NH+]2[C@@H](C)C[C@@H]2C)cc1C ZINC000525996789 262730200 /nfs/dbraw/zinc/73/02/00/262730200.db2.gz JDGWREORPIRSEO-KBPBESRZSA-N 1 0 217.356 3.595 20 0 BHADRO Cc1cc(C)c(C[N@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000525996790 262730230 /nfs/dbraw/zinc/73/02/30/262730230.db2.gz JDGWREORPIRSEO-OKILXGFUSA-N 1 0 217.356 3.595 20 0 BHADRO Cc1cc(C)c(C[NH+]2[C@H](C)C[C@H]2C)cc1C ZINC000525996791 384262007 /nfs/dbraw/zinc/26/20/07/384262007.db2.gz JDGWREORPIRSEO-ZIAGYGMSSA-N 1 0 217.356 3.595 20 0 BHADRO CC[C@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000525996816 388453503 /nfs/dbraw/zinc/45/35/03/388453503.db2.gz LFVUFWHCBQGQMS-HZSPNIEDSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H](C[NH+]1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000525996817 388453590 /nfs/dbraw/zinc/45/35/90/388453590.db2.gz LFVUFWHCBQGQMS-MELADBBJSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@H](C[NH+]1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000525996818 388453808 /nfs/dbraw/zinc/45/38/08/388453808.db2.gz LFVUFWHCBQGQMS-MGPQQGTHSA-N 1 0 217.356 3.663 20 0 BHADRO CC[C@@H](C[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000525996819 388453919 /nfs/dbraw/zinc/45/39/19/388453919.db2.gz LFVUFWHCBQGQMS-MJBXVCDLSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000525996934 388453553 /nfs/dbraw/zinc/45/35/53/388453553.db2.gz XAGCNHJDZYZCEI-BETUJISGSA-N 1 0 241.334 3.929 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(-c2ccccc2)o1 ZINC000525996935 388453683 /nfs/dbraw/zinc/45/36/83/388453683.db2.gz XAGCNHJDZYZCEI-CHWSQXEVSA-N 1 0 241.334 3.929 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(-c2ccccc2)o1 ZINC000525996936 388454052 /nfs/dbraw/zinc/45/40/52/388454052.db2.gz XAGCNHJDZYZCEI-STQMWFEESA-N 1 0 241.334 3.929 20 0 BHADRO Cc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)cc2cccnc12 ZINC000525996946 388453539 /nfs/dbraw/zinc/45/35/39/388453539.db2.gz YOTCXUPSTROFJH-BETUJISGSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)cc2cccnc12 ZINC000525996947 388453609 /nfs/dbraw/zinc/45/36/09/388453609.db2.gz YOTCXUPSTROFJH-CHWSQXEVSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)cc2cccnc12 ZINC000525996948 388453834 /nfs/dbraw/zinc/45/38/34/388453834.db2.gz YOTCXUPSTROFJH-STQMWFEESA-N 1 0 240.350 3.526 20 0 BHADRO Cc1oc2ccccc2c1C[NH+]1[C@H](C)C[C@H]1C ZINC000525996986 388453741 /nfs/dbraw/zinc/45/37/41/388453741.db2.gz HOWDZCHHLYQFRG-GHMZBOCLSA-N 1 0 229.323 3.724 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525996987 388454146 /nfs/dbraw/zinc/45/41/46/388454146.db2.gz HOWDZCHHLYQFRG-PHIMTYICSA-N 1 0 229.323 3.724 20 0 BHADRO Cc1oc2ccccc2c1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000525996988 388454200 /nfs/dbraw/zinc/45/42/00/388454200.db2.gz HOWDZCHHLYQFRG-QWRGUYRKSA-N 1 0 229.323 3.724 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCCOc1ccccc1 ZINC000525997023 388453127 /nfs/dbraw/zinc/45/31/27/388453127.db2.gz NOVNRONMSXZMLD-UHFFFAOYSA-N 1 0 249.398 3.966 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1[C@H](C)C[C@H]1C ZINC000525997088 388454025 /nfs/dbraw/zinc/45/40/25/388454025.db2.gz ZWMSEBONSFSWRV-DBLGQFABSA-N 1 0 215.340 3.573 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525997089 388454105 /nfs/dbraw/zinc/45/41/05/388454105.db2.gz ZWMSEBONSFSWRV-IRBPBCMDSA-N 1 0 215.340 3.573 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1[C@H](C)C[C@H]1C ZINC000525997090 388454086 /nfs/dbraw/zinc/45/40/86/388454086.db2.gz ZWMSEBONSFSWRV-ISESHHHUSA-N 1 0 215.340 3.573 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525997091 388453460 /nfs/dbraw/zinc/45/34/60/388453460.db2.gz ZWMSEBONSFSWRV-JVGGDYBHSA-N 1 0 215.340 3.573 20 0 BHADRO Cc1cc(Cl)ccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000525997362 388453420 /nfs/dbraw/zinc/45/34/20/388453420.db2.gz IXXMDLCJWFNZLW-GHMZBOCLSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1cc(Cl)ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525997363 388453666 /nfs/dbraw/zinc/45/36/66/388453666.db2.gz IXXMDLCJWFNZLW-PHIMTYICSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1cc(Cl)ccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000525997364 388453494 /nfs/dbraw/zinc/45/34/94/388453494.db2.gz IXXMDLCJWFNZLW-QWRGUYRKSA-N 1 0 223.747 3.631 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000525999057 388453869 /nfs/dbraw/zinc/45/38/69/388453869.db2.gz QMSXKJBGZPTFMI-CYBMUJFWSA-N 1 0 219.372 3.911 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000525999058 388453704 /nfs/dbraw/zinc/45/37/04/388453704.db2.gz QMSXKJBGZPTFMI-ZDUSSCGKSA-N 1 0 219.372 3.911 20 0 BHADRO CCOc1cccc(C[N@H+](C)C(C)(C)CC)c1 ZINC000525999059 388454011 /nfs/dbraw/zinc/45/40/11/388454011.db2.gz QOXAJVNEUNZCJB-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)C(C)(C)CC)cc1 ZINC000525999359 388454260 /nfs/dbraw/zinc/45/42/60/388454260.db2.gz BMMOKDVBJXNDNA-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000525999442 388453545 /nfs/dbraw/zinc/45/35/45/388453545.db2.gz VZAWTMQEWZJUMF-CABCVRRESA-N 1 0 249.423 3.665 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000525999443 388453957 /nfs/dbraw/zinc/45/39/57/388453957.db2.gz VZAWTMQEWZJUMF-GJZGRUSLSA-N 1 0 249.423 3.665 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000525999444 388453414 /nfs/dbraw/zinc/45/34/14/388453414.db2.gz VZAWTMQEWZJUMF-HUUCEWRRSA-N 1 0 249.423 3.665 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000525999445 388453876 /nfs/dbraw/zinc/45/38/76/388453876.db2.gz VZAWTMQEWZJUMF-LSDHHAIUSA-N 1 0 249.423 3.665 20 0 BHADRO FC1(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000526001802 388453715 /nfs/dbraw/zinc/45/37/15/388453715.db2.gz IXCVBCUFRMMDTF-UHFFFAOYSA-N 1 0 233.330 3.546 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000526002122 388453417 /nfs/dbraw/zinc/45/34/17/388453417.db2.gz VWWFECLAUQFIIX-MQMHXKEQSA-N 1 0 249.785 3.976 20 0 BHADRO CCC(CC)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000526045280 259309908 /nfs/dbraw/zinc/30/99/08/259309908.db2.gz MKBCCFGGKOEWLD-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO Clc1ccc(/C=C/C[NH+]2C3CCC2CC3)cc1 ZINC000526059051 385455460 /nfs/dbraw/zinc/45/54/60/385455460.db2.gz DSJMWMBSLVFRJK-OWOJBTEDSA-N 1 0 247.769 3.980 20 0 BHADRO Clc1ccc(/C=C\C[NH+]2C3CCC2CC3)cc1 ZINC000526059052 385455110 /nfs/dbraw/zinc/45/51/10/385455110.db2.gz DSJMWMBSLVFRJK-UPHRSURJSA-N 1 0 247.769 3.980 20 0 BHADRO CC(C)(C)CC[NH2+]CCc1ccc(F)c(F)c1 ZINC000526061874 323087310 /nfs/dbraw/zinc/08/73/10/323087310.db2.gz UFNGJOIRPFJWPH-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO Cc1cc(CC[NH2+]CCCC(C)C)cc(C)c1O ZINC000526062149 323087403 /nfs/dbraw/zinc/08/74/03/323087403.db2.gz ATXICAFUNCIHDU-UHFFFAOYSA-N 1 0 249.398 3.577 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCF)c1cc(F)ccc1F ZINC000526075433 323185324 /nfs/dbraw/zinc/18/53/24/323185324.db2.gz VWHZHDPFLBDZRS-CYBMUJFWSA-N 1 0 245.288 3.611 20 0 BHADRO CC(C)[C@H]([NH2+]CCCF)c1cc(F)ccc1F ZINC000526075434 323185338 /nfs/dbraw/zinc/18/53/38/323185338.db2.gz VWHZHDPFLBDZRS-ZDUSSCGKSA-N 1 0 245.288 3.611 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(F)cc1C ZINC000526077013 386814431 /nfs/dbraw/zinc/81/44/31/386814431.db2.gz SJDSQNYTPUTNGA-UHFFFAOYSA-N 1 0 223.335 3.755 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCOCc1ccccc1 ZINC000526077016 386813920 /nfs/dbraw/zinc/81/39/20/386813920.db2.gz SRRCNEXHMZBYFK-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCc1ccsc1 ZINC000526077499 386810698 /nfs/dbraw/zinc/81/06/98/386810698.db2.gz XKDCDDSWFPXZJY-UHFFFAOYSA-N 1 0 225.401 3.801 20 0 BHADRO CCC[N@H+](Cc1cc(F)ccc1Cl)C1CC1 ZINC000526083021 323187954 /nfs/dbraw/zinc/18/79/54/323187954.db2.gz CTYSDZGTRGSPKH-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO Fc1ccc(Cl)c(C[NH+]2C3CCC2CC3)c1 ZINC000526083125 323187991 /nfs/dbraw/zinc/18/79/91/323187991.db2.gz WVZBEZNTJAECIV-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CC(C)[N@H+](Cc1cc(F)ccc1Cl)C1CC1 ZINC000526083663 323188397 /nfs/dbraw/zinc/18/83/97/323188397.db2.gz KJSNTPMMWKRIOH-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000526087219 386964346 /nfs/dbraw/zinc/96/43/46/386964346.db2.gz GGLXZGAEXCHHSB-CVEARBPZSA-N 1 0 229.367 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000526087220 386963723 /nfs/dbraw/zinc/96/37/23/386963723.db2.gz GGLXZGAEXCHHSB-HOTGVXAUSA-N 1 0 229.367 3.879 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000526087221 262767471 /nfs/dbraw/zinc/76/74/71/262767471.db2.gz GGLXZGAEXCHHSB-HZPDHXFCSA-N 1 0 229.367 3.879 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(C)(C)C1)c1cccnc1 ZINC000526108083 323226519 /nfs/dbraw/zinc/22/65/19/323226519.db2.gz GUDANMCNZFNTPE-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(C)(C)C1)c1cccnc1 ZINC000526108084 323226494 /nfs/dbraw/zinc/22/64/94/323226494.db2.gz GUDANMCNZFNTPE-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccoc1 ZINC000526108122 323226754 /nfs/dbraw/zinc/22/67/54/323226754.db2.gz LYVGATQFYITYLF-GXSJLCMTSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccoc1 ZINC000526108123 323226745 /nfs/dbraw/zinc/22/67/45/323226745.db2.gz LYVGATQFYITYLF-KOLCDFICSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccoc1 ZINC000526108124 323226661 /nfs/dbraw/zinc/22/66/61/323226661.db2.gz LYVGATQFYITYLF-MWLCHTKSSA-N 1 0 249.276 3.907 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccoc1 ZINC000526108125 323226472 /nfs/dbraw/zinc/22/64/72/323226472.db2.gz LYVGATQFYITYLF-ONGXEEELSA-N 1 0 249.276 3.907 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000526108321 323226693 /nfs/dbraw/zinc/22/66/93/323226693.db2.gz DHGOHMIYHREBAR-GFCCVEGCSA-N 1 0 247.382 3.782 20 0 BHADRO COc1cccc([C@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000526108322 323226522 /nfs/dbraw/zinc/22/65/22/323226522.db2.gz DHGOHMIYHREBAR-LBPRGKRZSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000526112842 262788793 /nfs/dbraw/zinc/78/87/93/262788793.db2.gz VPJJQXPMXCASBB-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000526112843 386961674 /nfs/dbraw/zinc/96/16/74/386961674.db2.gz VPJJQXPMXCASBB-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000526112844 386961360 /nfs/dbraw/zinc/96/13/60/386961360.db2.gz VPJJQXPMXCASBB-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000526112845 386960660 /nfs/dbraw/zinc/96/06/60/386960660.db2.gz VPJJQXPMXCASBB-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO COc1cc(C)cc(C[NH2+]CCCC(C)C)c1 ZINC000526113002 356209595 /nfs/dbraw/zinc/20/95/95/356209595.db2.gz SKSBGFBZRZAMTE-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO Cc1[nH+]c2cc(NCCC(C)(C)C)ccc2n1C ZINC000526113098 356210174 /nfs/dbraw/zinc/21/01/74/356210174.db2.gz INMFFYFDLQANCM-UHFFFAOYSA-N 1 0 245.370 3.730 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)C1CC1)c1ccc(F)cc1 ZINC000526113443 323227987 /nfs/dbraw/zinc/22/79/87/323227987.db2.gz TUFUEZSMJJROQA-LLVKDONJSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)C1CC1)c1ccc(F)cc1 ZINC000526113444 323227796 /nfs/dbraw/zinc/22/77/96/323227796.db2.gz TUFUEZSMJJROQA-NSHDSACASA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)([NH2+]CCCCOc1ccccc1)C1CC1 ZINC000526113469 323227821 /nfs/dbraw/zinc/22/78/21/323227821.db2.gz YJGBHWOGHBTGBW-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC[NH+](CC)C[C@@H](C)c1cccc(Cl)c1 ZINC000526114138 323228291 /nfs/dbraw/zinc/22/82/91/323228291.db2.gz UEJRJQPGHSJWMY-LLVKDONJSA-N 1 0 225.763 3.785 20 0 BHADRO CC[NH+](CC)C[C@H](C)c1cccc(Cl)c1 ZINC000526114139 323228219 /nfs/dbraw/zinc/22/82/19/323228219.db2.gz UEJRJQPGHSJWMY-NSHDSACASA-N 1 0 225.763 3.785 20 0 BHADRO CCC[N@H+](CC)CCCCOc1ccccc1 ZINC000526114146 323228274 /nfs/dbraw/zinc/22/82/74/323228274.db2.gz VMFGCXLNGDHGFS-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO CC(C)CCC[N@H+](Cc1ccccn1)C(C)C ZINC000526114257 356225926 /nfs/dbraw/zinc/22/59/26/356225926.db2.gz ANHXPWPVZWOLII-UHFFFAOYSA-N 1 0 234.387 3.728 20 0 BHADRO C[C@@H](C[NH+]1C2CCC1CC2)c1ccc(F)cc1 ZINC000526114645 356226754 /nfs/dbraw/zinc/22/67/54/356226754.db2.gz ZWFXGWYFTOUMLV-QGLTVNCISA-N 1 0 233.330 3.556 20 0 BHADRO C[C@H](C[NH+]1C2CCC1CC2)c1ccc(F)cc1 ZINC000526114646 356227037 /nfs/dbraw/zinc/22/70/37/356227037.db2.gz ZWFXGWYFTOUMLV-VCANKDNSSA-N 1 0 233.330 3.556 20 0 BHADRO CC(C)[N@H+](CCCCOc1ccccc1)C1CC1 ZINC000526115716 323229578 /nfs/dbraw/zinc/22/95/78/323229578.db2.gz CHSCQUFJFRXXKU-UHFFFAOYSA-N 1 0 247.382 3.718 20 0 BHADRO CC(C)CCC[NH2+]C1(Cc2ccccc2)CC1 ZINC000526116064 356256527 /nfs/dbraw/zinc/25/65/27/356256527.db2.gz OXAHHWQENSNWRG-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(F)c1 ZINC000526118336 387028437 /nfs/dbraw/zinc/02/84/37/387028437.db2.gz REYMFKWNGNHRJU-AWEZNQCLSA-N 1 0 233.330 3.809 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(F)c1 ZINC000526118337 262789141 /nfs/dbraw/zinc/78/91/41/262789141.db2.gz REYMFKWNGNHRJU-CQSZACIVSA-N 1 0 233.330 3.809 20 0 BHADRO CCC1(C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000526119016 323230658 /nfs/dbraw/zinc/23/06/58/323230658.db2.gz LKRUSWVQFNEFNF-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO CCC1(C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000526119017 323230444 /nfs/dbraw/zinc/23/04/44/323230444.db2.gz LKRUSWVQFNEFNF-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO COC[C@@H](C)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000526119056 323230645 /nfs/dbraw/zinc/23/06/45/323230645.db2.gz SLTGTMMPKWQCEX-BBRMVZONSA-N 1 0 249.398 3.564 20 0 BHADRO COC[C@H](C)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000526119057 323230560 /nfs/dbraw/zinc/23/05/60/323230560.db2.gz SLTGTMMPKWQCEX-CJNGLKHVSA-N 1 0 249.398 3.564 20 0 BHADRO COC[C@H](C)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000526119058 323230534 /nfs/dbraw/zinc/23/05/34/323230534.db2.gz SLTGTMMPKWQCEX-CZUORRHYSA-N 1 0 249.398 3.564 20 0 BHADRO COC[C@@H](C)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000526119059 323230475 /nfs/dbraw/zinc/23/04/75/323230475.db2.gz SLTGTMMPKWQCEX-XJKSGUPXSA-N 1 0 249.398 3.564 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000526119287 323230509 /nfs/dbraw/zinc/23/05/09/323230509.db2.gz HALLHAPWTXVSGO-DOMZBBRYSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000526119288 323230602 /nfs/dbraw/zinc/23/06/02/323230602.db2.gz HALLHAPWTXVSGO-IUODEOHRSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000526119289 323230619 /nfs/dbraw/zinc/23/06/19/323230619.db2.gz HALLHAPWTXVSGO-SWLSCSKDSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000526119290 323230687 /nfs/dbraw/zinc/23/06/87/323230687.db2.gz HALLHAPWTXVSGO-WFASDCNBSA-N 1 0 233.330 3.628 20 0 BHADRO COc1cc(C)ccc1C[NH2+]CCCC(C)C ZINC000526119599 323230902 /nfs/dbraw/zinc/23/09/02/323230902.db2.gz SNOOLCXHLCXZJA-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO COc1ccc(CCC[NH2+]CCCC(C)C)cc1 ZINC000526123421 323233567 /nfs/dbraw/zinc/23/35/67/323233567.db2.gz HJWRNOSEAFVKPO-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000526124242 356360870 /nfs/dbraw/zinc/36/08/70/356360870.db2.gz VEJMIXPWWURHTE-GDBMZVCRSA-N 1 0 249.398 3.598 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000526124243 356360964 /nfs/dbraw/zinc/36/09/64/356360964.db2.gz VEJMIXPWWURHTE-GOEBONIOSA-N 1 0 249.398 3.598 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000526124244 356361121 /nfs/dbraw/zinc/36/11/21/356361121.db2.gz VEJMIXPWWURHTE-HOCLYGCPSA-N 1 0 249.398 3.598 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000526124245 356360892 /nfs/dbraw/zinc/36/08/92/356360892.db2.gz VEJMIXPWWURHTE-ZBFHGGJFSA-N 1 0 249.398 3.598 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC000526129065 487548250 /nfs/dbraw/zinc/54/82/50/487548250.db2.gz LTBNSTMZXPPBGW-CYBMUJFWSA-N 1 0 244.382 3.797 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC000526129066 487548278 /nfs/dbraw/zinc/54/82/78/487548278.db2.gz LTBNSTMZXPPBGW-ZDUSSCGKSA-N 1 0 244.382 3.797 20 0 BHADRO CC[N@H+](CC=C(C)C)Cc1c[nH]c2ccccc12 ZINC000526949890 386702782 /nfs/dbraw/zinc/70/27/82/386702782.db2.gz NIUWFEZEXULQRB-UHFFFAOYSA-N 1 0 242.366 3.956 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC(C)(C)C1 ZINC000526966281 323309223 /nfs/dbraw/zinc/30/92/23/323309223.db2.gz JPAZVFHTVSLPLW-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC(C)(C)C1 ZINC000526966282 323309181 /nfs/dbraw/zinc/30/91/81/323309181.db2.gz JPAZVFHTVSLPLW-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(F)CC2)c1 ZINC000526969399 323309303 /nfs/dbraw/zinc/30/93/03/323309303.db2.gz ODCCVCYICIZNIG-AWEZNQCLSA-N 1 0 233.330 3.634 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2(F)CC2)c1 ZINC000526969400 323308920 /nfs/dbraw/zinc/30/89/20/323308920.db2.gz ODCCVCYICIZNIG-CQSZACIVSA-N 1 0 233.330 3.634 20 0 BHADRO FC1(C[N@@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000526969928 323308876 /nfs/dbraw/zinc/30/88/76/323308876.db2.gz RSJIBNDSWJPGRN-UHFFFAOYSA-N 1 0 247.357 3.791 20 0 BHADRO CCc1ccc(C[N@H+](CC2(F)CC2)C2CC2)cc1 ZINC000526970021 323309491 /nfs/dbraw/zinc/30/94/91/323309491.db2.gz YRXOJUOOFQWKBJ-UHFFFAOYSA-N 1 0 247.357 3.716 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)cc1)CC1(F)CC1 ZINC000526970163 323309499 /nfs/dbraw/zinc/30/94/99/323309499.db2.gz YOGYUBSITCCGLY-UHFFFAOYSA-N 1 0 239.309 3.538 20 0 BHADRO CC(C)CC[N@H+](CC1(F)CC1)C1CCCC1 ZINC000526970278 323309740 /nfs/dbraw/zinc/30/97/40/323309740.db2.gz PJMSTRYDHFWJFE-UHFFFAOYSA-N 1 0 227.367 3.779 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)CC1(F)CC1 ZINC000526970372 386714139 /nfs/dbraw/zinc/71/41/39/386714139.db2.gz DIGQUMPVTWBYJO-UHFFFAOYSA-N 1 0 215.356 3.635 20 0 BHADRO FC1(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000526970860 386714425 /nfs/dbraw/zinc/71/44/25/386714425.db2.gz RLGZQKHPXFSDFG-HNNXBMFYSA-N 1 0 247.357 3.586 20 0 BHADRO FC1(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000526970861 386713534 /nfs/dbraw/zinc/71/35/34/386713534.db2.gz RLGZQKHPXFSDFG-OAHLLOKOSA-N 1 0 247.357 3.586 20 0 BHADRO C[C@H]1C[N@H+](CC2(F)CC2)CC[C@H]1c1ccccc1 ZINC000526971264 386715348 /nfs/dbraw/zinc/71/53/48/386715348.db2.gz JYWJSAGZGUBIRK-DZGCQCFKSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1c1ccccc1 ZINC000526971265 386714004 /nfs/dbraw/zinc/71/40/04/386714004.db2.gz JYWJSAGZGUBIRK-HIFRSBDPSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@@H]1C[N@H+](CC2(F)CC2)CC[C@H]1c1ccccc1 ZINC000526971266 386715177 /nfs/dbraw/zinc/71/51/77/386715177.db2.gz JYWJSAGZGUBIRK-UKRRQHHQSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1c1ccccc1 ZINC000526971267 386714762 /nfs/dbraw/zinc/71/47/62/386714762.db2.gz JYWJSAGZGUBIRK-ZFWWWQNUSA-N 1 0 247.357 3.614 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC1(F)CC1 ZINC000526971665 386715389 /nfs/dbraw/zinc/71/53/89/386715389.db2.gz VDKDVLYFHGSUMV-HNNXBMFYSA-N 1 0 249.373 3.832 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](CC)CC1(F)CC1 ZINC000526971666 386715452 /nfs/dbraw/zinc/71/54/52/386715452.db2.gz VDKDVLYFHGSUMV-OAHLLOKOSA-N 1 0 249.373 3.832 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526973445 583931610 /nfs/dbraw/zinc/93/16/10/583931610.db2.gz YVFUYIMIFHRXSM-GFCCVEGCSA-N 1 0 213.340 3.533 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526973446 583931639 /nfs/dbraw/zinc/93/16/39/583931639.db2.gz YVFUYIMIFHRXSM-LBPRGKRZSA-N 1 0 213.340 3.533 20 0 BHADRO CC(C)(C)c1ccc(CC[NH2+]CC2(F)CC2)cc1 ZINC000526973507 583931664 /nfs/dbraw/zinc/93/16/64/583931664.db2.gz GRBLLOIEZVBIDZ-UHFFFAOYSA-N 1 0 249.373 3.618 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000526974610 490104245 /nfs/dbraw/zinc/10/42/45/490104245.db2.gz DJKCCQZIFOZBNE-DOMZBBRYSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000526974611 490103920 /nfs/dbraw/zinc/10/39/20/490103920.db2.gz DJKCCQZIFOZBNE-IUODEOHRSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000526974612 490104188 /nfs/dbraw/zinc/10/41/88/490104188.db2.gz DJKCCQZIFOZBNE-SWLSCSKDSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000526974613 490104180 /nfs/dbraw/zinc/10/41/80/490104180.db2.gz DJKCCQZIFOZBNE-WFASDCNBSA-N 1 0 245.366 3.515 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000526978862 386717249 /nfs/dbraw/zinc/71/72/49/386717249.db2.gz HCWAOBZMEVIVEW-UHFFFAOYSA-N 1 0 235.346 3.576 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000526980181 386718904 /nfs/dbraw/zinc/71/89/04/386718904.db2.gz DCIFBHWEKVOYJM-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000526980182 386717115 /nfs/dbraw/zinc/71/71/15/386717115.db2.gz DCIFBHWEKVOYJM-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000526980183 386718020 /nfs/dbraw/zinc/71/80/20/386718020.db2.gz DCIFBHWEKVOYJM-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000526980184 386718404 /nfs/dbraw/zinc/71/84/04/386718404.db2.gz DCIFBHWEKVOYJM-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CCC[N@H+](CCc1cccs1)CC1(F)CC1 ZINC000526984863 386717902 /nfs/dbraw/zinc/71/79/02/386717902.db2.gz LZTHLCLOGHWMOB-UHFFFAOYSA-N 1 0 241.375 3.505 20 0 BHADRO FC1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000526988085 262801461 /nfs/dbraw/zinc/80/14/61/262801461.db2.gz WKKYNQNXVUFYPK-CABCVRRESA-N 1 0 247.357 3.805 20 0 BHADRO FC1(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000526988086 262801970 /nfs/dbraw/zinc/80/19/70/262801970.db2.gz WKKYNQNXVUFYPK-GJZGRUSLSA-N 1 0 247.357 3.805 20 0 BHADRO FC1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000526988087 386724309 /nfs/dbraw/zinc/72/43/09/386724309.db2.gz WKKYNQNXVUFYPK-HUUCEWRRSA-N 1 0 247.357 3.805 20 0 BHADRO FC1(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000526988088 262801494 /nfs/dbraw/zinc/80/14/94/262801494.db2.gz WKKYNQNXVUFYPK-LSDHHAIUSA-N 1 0 247.357 3.805 20 0 BHADRO FC(F)c1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000526988110 386725329 /nfs/dbraw/zinc/72/53/29/386725329.db2.gz BWHWQNYTDCOXHR-UHFFFAOYSA-N 1 0 247.235 3.512 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000526989304 262801703 /nfs/dbraw/zinc/80/17/03/262801703.db2.gz IJPFFBXTNRRFFA-FSDCSDTHSA-N 1 0 243.394 3.980 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000526989305 262801549 /nfs/dbraw/zinc/80/15/49/262801549.db2.gz IJPFFBXTNRRFFA-HDEZJCGLSA-N 1 0 243.394 3.980 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000526989306 386726733 /nfs/dbraw/zinc/72/67/33/386726733.db2.gz IJPFFBXTNRRFFA-WTTBNOFXSA-N 1 0 243.394 3.980 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000526989307 386726401 /nfs/dbraw/zinc/72/64/01/386726401.db2.gz IJPFFBXTNRRFFA-YALNPMBYSA-N 1 0 243.394 3.980 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000526989309 386726699 /nfs/dbraw/zinc/72/66/99/386726699.db2.gz IZVDDNPQYUKUBE-AOOOYVTPSA-N 1 0 233.286 3.555 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc2cc(F)ccc2o1 ZINC000526989310 386727367 /nfs/dbraw/zinc/72/73/67/386727367.db2.gz IZVDDNPQYUKUBE-NXEZZACHSA-N 1 0 233.286 3.555 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1cc2cc(F)ccc2o1 ZINC000526989311 386726952 /nfs/dbraw/zinc/72/69/52/386726952.db2.gz IZVDDNPQYUKUBE-UWVGGRQHSA-N 1 0 233.286 3.555 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH+]1[C@@H](C)C[C@@H]1C ZINC000526989427 262802059 /nfs/dbraw/zinc/80/20/59/262802059.db2.gz BMHUMNAQKFCVRC-AGIUHOORSA-N 1 0 235.346 3.630 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000526989428 386727110 /nfs/dbraw/zinc/72/71/10/386727110.db2.gz BMHUMNAQKFCVRC-JHJVBQTASA-N 1 0 235.346 3.630 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000526989429 386726451 /nfs/dbraw/zinc/72/64/51/386726451.db2.gz BMHUMNAQKFCVRC-RWMBFGLXSA-N 1 0 235.346 3.630 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000526989430 386727836 /nfs/dbraw/zinc/72/78/36/386727836.db2.gz BMHUMNAQKFCVRC-UPJWGTAASA-N 1 0 235.346 3.630 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCCCCOc1ccccc1 ZINC000526989476 386727439 /nfs/dbraw/zinc/72/74/39/386727439.db2.gz IOUKTQCPLFBXHI-GASCZTMLSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCCCCOc1ccccc1 ZINC000526989477 262802044 /nfs/dbraw/zinc/80/20/44/262802044.db2.gz IOUKTQCPLFBXHI-GJZGRUSLSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCCCCOc1ccccc1 ZINC000526989478 386727472 /nfs/dbraw/zinc/72/74/72/386727472.db2.gz IOUKTQCPLFBXHI-HUUCEWRRSA-N 1 0 247.382 3.718 20 0 BHADRO CC(C)COc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000526989479 386727613 /nfs/dbraw/zinc/72/76/13/386727613.db2.gz JFUQCZGFLRUJIL-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000526989480 386727125 /nfs/dbraw/zinc/72/71/25/386727125.db2.gz JFUQCZGFLRUJIL-OKILXGFUSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000526989481 262801540 /nfs/dbraw/zinc/80/15/40/262801540.db2.gz JFUQCZGFLRUJIL-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO CCSc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000526989522 386727279 /nfs/dbraw/zinc/72/72/79/386727279.db2.gz NTIZCQMQSMZSLY-RYUDHWBXSA-N 1 0 235.396 3.781 20 0 BHADRO CCSc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000526989523 386727113 /nfs/dbraw/zinc/72/71/13/386727113.db2.gz NTIZCQMQSMZSLY-TXEJJXNPSA-N 1 0 235.396 3.781 20 0 BHADRO CCSc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000526989524 386727772 /nfs/dbraw/zinc/72/77/72/386727772.db2.gz NTIZCQMQSMZSLY-VXGBXAGGSA-N 1 0 235.396 3.781 20 0 BHADRO CSc1ccccc1C[N@H+](C)CC1(C)CC1 ZINC000526989699 386727331 /nfs/dbraw/zinc/72/73/31/386727331.db2.gz RDJXMMFSPGJZBA-UHFFFAOYSA-N 1 0 235.396 3.640 20 0 BHADRO CCc1ccc(C[N@H+](C)C(C)(C)CC)s1 ZINC000526989713 386726750 /nfs/dbraw/zinc/72/67/50/386726750.db2.gz SMJZXOHSABYZBN-UHFFFAOYSA-N 1 0 225.401 3.931 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc2ccccc12 ZINC000526990497 386722578 /nfs/dbraw/zinc/72/25/78/386722578.db2.gz HCVMJXIXIJYMGN-GHMZBOCLSA-N 1 0 231.364 3.884 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc2ccccc12 ZINC000526990498 386721873 /nfs/dbraw/zinc/72/18/73/386721873.db2.gz HCVMJXIXIJYMGN-PHIMTYICSA-N 1 0 231.364 3.884 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1csc2ccccc12 ZINC000526990499 386721171 /nfs/dbraw/zinc/72/11/71/386721171.db2.gz HCVMJXIXIJYMGN-QWRGUYRKSA-N 1 0 231.364 3.884 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000526991759 386720841 /nfs/dbraw/zinc/72/08/41/386720841.db2.gz FBIHUJSOMADGNC-SREVYHEPSA-N 1 0 235.346 3.959 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000526991760 386722375 /nfs/dbraw/zinc/72/23/75/386722375.db2.gz FBIHUJSOMADGNC-VOTSOKGWSA-N 1 0 235.346 3.959 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000526991822 386721950 /nfs/dbraw/zinc/72/19/50/386721950.db2.gz VYDSKWRQVIVGGI-UHFFFAOYSA-N 1 0 223.335 3.755 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000526991950 386722396 /nfs/dbraw/zinc/72/23/96/386722396.db2.gz FZUXXOPXTOIGPB-CABCVRRESA-N 1 0 231.383 3.911 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000526991951 386721036 /nfs/dbraw/zinc/72/10/36/386721036.db2.gz FZUXXOPXTOIGPB-HUUCEWRRSA-N 1 0 231.383 3.911 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000526991952 386721920 /nfs/dbraw/zinc/72/19/20/386721920.db2.gz FZUXXOPXTOIGPB-LSDHHAIUSA-N 1 0 231.383 3.911 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CC3(F)CC3)C2)c(C)c1 ZINC000526992208 386722291 /nfs/dbraw/zinc/72/22/91/386722291.db2.gz QIAODAKXYDMEOT-AWEZNQCLSA-N 1 0 247.357 3.595 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CC3(F)CC3)C2)c(C)c1 ZINC000526992209 386721743 /nfs/dbraw/zinc/72/17/43/386721743.db2.gz QIAODAKXYDMEOT-CQSZACIVSA-N 1 0 247.357 3.595 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000526992326 386720186 /nfs/dbraw/zinc/72/01/86/386720186.db2.gz LPAILEFIZBQKIX-DZGCQCFKSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000526992327 386720274 /nfs/dbraw/zinc/72/02/74/386720274.db2.gz LPAILEFIZBQKIX-HIFRSBDPSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000526992328 386720620 /nfs/dbraw/zinc/72/06/20/386720620.db2.gz LPAILEFIZBQKIX-UKRRQHHQSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000526992329 386722112 /nfs/dbraw/zinc/72/21/12/386722112.db2.gz LPAILEFIZBQKIX-ZFWWWQNUSA-N 1 0 247.357 3.852 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000526993796 386725342 /nfs/dbraw/zinc/72/53/42/386725342.db2.gz GPYGMRZATPNGPH-AWEZNQCLSA-N 1 0 217.356 3.697 20 0 BHADRO C[N@H+](Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000526993797 386724126 /nfs/dbraw/zinc/72/41/26/386724126.db2.gz GPYGMRZATPNGPH-CQSZACIVSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(F)CC2)c2ccccc21 ZINC000526994650 386724885 /nfs/dbraw/zinc/72/48/85/386724885.db2.gz UWUHVEAUIAQONJ-HUUCEWRRSA-N 1 0 247.357 3.963 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000527000232 323310188 /nfs/dbraw/zinc/31/01/88/323310188.db2.gz NMFBWWZRVZVWAP-DZGCQCFKSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000527000233 323310183 /nfs/dbraw/zinc/31/01/83/323310183.db2.gz NMFBWWZRVZVWAP-HIFRSBDPSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000527000234 323310151 /nfs/dbraw/zinc/31/01/51/323310151.db2.gz NMFBWWZRVZVWAP-UKRRQHHQSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000527000235 323310289 /nfs/dbraw/zinc/31/02/89/323310289.db2.gz NMFBWWZRVZVWAP-ZFWWWQNUSA-N 1 0 247.357 3.852 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CCCC2CC2)cnn1C(C)C ZINC000527042242 386757871 /nfs/dbraw/zinc/75/78/71/386757871.db2.gz BHFJUKCMAQTONX-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@H](C)[NH2+]CCCC2CC2)cnn1C(C)C ZINC000527042243 386758425 /nfs/dbraw/zinc/75/84/25/386758425.db2.gz BHFJUKCMAQTONX-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527042939 386757920 /nfs/dbraw/zinc/75/79/20/386757920.db2.gz KEDYKLLLNIJBAY-GFCCVEGCSA-N 1 0 241.325 3.676 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527042940 386757023 /nfs/dbraw/zinc/75/70/23/386757023.db2.gz KEDYKLLLNIJBAY-LBPRGKRZSA-N 1 0 241.325 3.676 20 0 BHADRO CC[N@H+](CCC(C)(C)OC)Cc1ccc(C)cc1 ZINC000527047460 386760885 /nfs/dbraw/zinc/76/08/85/386760885.db2.gz LSXPKNZKODSXCB-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cc(Cl)ccc1F ZINC000527048173 386760333 /nfs/dbraw/zinc/76/03/33/386760333.db2.gz OALNSOALTPYTBG-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000527049663 262804436 /nfs/dbraw/zinc/80/44/36/262804436.db2.gz UBEVZEWSBSKHTR-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000527049664 386760708 /nfs/dbraw/zinc/76/07/08/386760708.db2.gz UBEVZEWSBSKHTR-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000527049665 262804454 /nfs/dbraw/zinc/80/44/54/262804454.db2.gz UBEVZEWSBSKHTR-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000527049666 262804493 /nfs/dbraw/zinc/80/44/93/262804493.db2.gz UBEVZEWSBSKHTR-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Clc1ccc(/C=C/C[NH2+]C2(C3CC3)CC2)cc1 ZINC000527050060 386763782 /nfs/dbraw/zinc/76/37/82/386763782.db2.gz JXYKTLHZUWNXFP-OWOJBTEDSA-N 1 0 247.769 3.885 20 0 BHADRO Clc1ccc(/C=C\C[NH2+]C2(C3CC3)CC2)cc1 ZINC000527050061 262804558 /nfs/dbraw/zinc/80/45/58/262804558.db2.gz JXYKTLHZUWNXFP-UPHRSURJSA-N 1 0 247.769 3.885 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000527053240 386759653 /nfs/dbraw/zinc/75/96/53/386759653.db2.gz VTLJBFZBZYNMBD-JTQLQIEISA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000527053241 386761097 /nfs/dbraw/zinc/76/10/97/386761097.db2.gz VTLJBFZBZYNMBD-SNVBAGLBSA-N 1 0 235.293 3.615 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000527053820 386763112 /nfs/dbraw/zinc/76/31/12/386763112.db2.gz GVAADDZZHSQACB-LLVKDONJSA-N 1 0 241.325 3.533 20 0 BHADRO CCC[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000527053821 262804580 /nfs/dbraw/zinc/80/45/80/262804580.db2.gz GVAADDZZHSQACB-NSHDSACASA-N 1 0 241.325 3.533 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCCC3)CC2)on1 ZINC000527055991 386767204 /nfs/dbraw/zinc/76/72/04/386767204.db2.gz SWLNCWXREKYHRW-UHFFFAOYSA-N 1 0 248.370 3.611 20 0 BHADRO C[N@@H+](Cc1cc(F)ccc1Cl)CC1CCC1 ZINC000527074179 386775634 /nfs/dbraw/zinc/77/56/34/386775634.db2.gz FNSYNAFFEDMAEJ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC(C)C[N@H+](C)Cc1cc(F)ccc1Cl ZINC000527074212 386775822 /nfs/dbraw/zinc/77/58/22/386775822.db2.gz JZPFIYMTOMDHSH-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO CCc1ccccc1C[N@H+](C(C)C)C1CC1 ZINC000527074982 386774268 /nfs/dbraw/zinc/77/42/68/386774268.db2.gz OYHREZGZJAXXHK-UHFFFAOYSA-N 1 0 217.356 3.622 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000527099409 358937556 /nfs/dbraw/zinc/93/75/56/358937556.db2.gz BHVCLZJTWHWQJQ-CABCVRRESA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000527099410 358937273 /nfs/dbraw/zinc/93/72/73/358937273.db2.gz BHVCLZJTWHWQJQ-GJZGRUSLSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000527099411 358937263 /nfs/dbraw/zinc/93/72/63/358937263.db2.gz BHVCLZJTWHWQJQ-HUUCEWRRSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000527099412 358937616 /nfs/dbraw/zinc/93/76/16/358937616.db2.gz BHVCLZJTWHWQJQ-LSDHHAIUSA-N 1 0 231.383 3.958 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2CC(C)(C)C2)cc1 ZINC000527099923 358942466 /nfs/dbraw/zinc/94/24/66/358942466.db2.gz NAZHYWIFCVFAKO-GFCCVEGCSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2CC(C)(C)C2)cc1 ZINC000527099924 358942467 /nfs/dbraw/zinc/94/24/67/358942467.db2.gz NAZHYWIFCVFAKO-LBPRGKRZSA-N 1 0 247.382 3.782 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC2CC(C)(C)C2)cn1 ZINC000527100222 387926758 /nfs/dbraw/zinc/92/67/58/387926758.db2.gz RPZDWHXMFXYKOI-GFCCVEGCSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC2CC(C)(C)C2)cn1 ZINC000527100223 387926426 /nfs/dbraw/zinc/92/64/26/387926426.db2.gz RPZDWHXMFXYKOI-LBPRGKRZSA-N 1 0 249.402 3.551 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000527100251 387926581 /nfs/dbraw/zinc/92/65/81/387926581.db2.gz JOMYMVDWFYFIHT-HNNXBMFYSA-N 1 0 229.367 3.700 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000527100252 387926628 /nfs/dbraw/zinc/92/66/28/387926628.db2.gz JOMYMVDWFYFIHT-OAHLLOKOSA-N 1 0 229.367 3.700 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccn1 ZINC000527100377 387931156 /nfs/dbraw/zinc/93/11/56/387931156.db2.gz OELLNMOJTHHFRO-AWEZNQCLSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccn1 ZINC000527100378 323435585 /nfs/dbraw/zinc/43/55/85/323435585.db2.gz OELLNMOJTHHFRO-CQSZACIVSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000527105312 387933417 /nfs/dbraw/zinc/93/34/17/387933417.db2.gz CXSCKTUYIRXHCQ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000527105313 387932759 /nfs/dbraw/zinc/93/27/59/387932759.db2.gz CXSCKTUYIRXHCQ-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000527105314 387932498 /nfs/dbraw/zinc/93/24/98/387932498.db2.gz CXSCKTUYIRXHCQ-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000527105315 262816283 /nfs/dbraw/zinc/81/62/83/262816283.db2.gz CXSCKTUYIRXHCQ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO COc1ccc(C[NH2+]CCC(C)(C)C)c(C)c1 ZINC000527105618 387933624 /nfs/dbraw/zinc/93/36/24/387933624.db2.gz SBBKOECIXQLXMT-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)C1CCCC1 ZINC000527106149 387932652 /nfs/dbraw/zinc/93/26/52/387932652.db2.gz VCRCETXQIRRURB-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CCCC[N@H+](C)CCCCOc1ccccc1 ZINC000527106224 387933235 /nfs/dbraw/zinc/93/32/35/387933235.db2.gz LGLKTJWZSZGQRK-UHFFFAOYSA-N 1 0 235.371 3.578 20 0 BHADRO c1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000527106457 262816457 /nfs/dbraw/zinc/81/64/57/262816457.db2.gz YFIZMBSQWAZQQF-UHFFFAOYSA-N 1 0 247.382 3.722 20 0 BHADRO CC[N@H+](CCCCOc1ccccc1)C(C)C ZINC000527106667 387934965 /nfs/dbraw/zinc/93/49/65/387934965.db2.gz BJDIMPPEPCAZNE-UHFFFAOYSA-N 1 0 235.371 3.576 20 0 BHADRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)COC ZINC000527106749 387935277 /nfs/dbraw/zinc/93/52/77/387935277.db2.gz ARPUXOMLTITWBW-CABCVRRESA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)COC ZINC000527106750 387934682 /nfs/dbraw/zinc/93/46/82/387934682.db2.gz ARPUXOMLTITWBW-GJZGRUSLSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)COC ZINC000527106751 387934343 /nfs/dbraw/zinc/93/43/43/387934343.db2.gz ARPUXOMLTITWBW-HUUCEWRRSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)COC ZINC000527106752 387935197 /nfs/dbraw/zinc/93/51/97/387935197.db2.gz ARPUXOMLTITWBW-LSDHHAIUSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000527106800 387934253 /nfs/dbraw/zinc/93/42/53/387934253.db2.gz JNMLCSMXUHSZTC-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000527106801 387934783 /nfs/dbraw/zinc/93/47/83/387934783.db2.gz JNMLCSMXUHSZTC-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000527106846 262816459 /nfs/dbraw/zinc/81/64/59/262816459.db2.gz WXINDNFIGSGEDC-LLVKDONJSA-N 1 0 225.763 3.784 20 0 BHADRO CC(C)[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000527106847 387934432 /nfs/dbraw/zinc/93/44/32/387934432.db2.gz WXINDNFIGSGEDC-NSHDSACASA-N 1 0 225.763 3.784 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000527106924 387935253 /nfs/dbraw/zinc/93/52/53/387935253.db2.gz UAGSKTXNNBANMP-HNNXBMFYSA-N 1 0 249.398 3.966 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000527106925 262816167 /nfs/dbraw/zinc/81/61/67/262816167.db2.gz UAGSKTXNNBANMP-OAHLLOKOSA-N 1 0 249.398 3.966 20 0 BHADRO CCC[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000527106944 387934706 /nfs/dbraw/zinc/93/47/06/387934706.db2.gz ZSTIZMPFENJSSC-LLVKDONJSA-N 1 0 225.763 3.785 20 0 BHADRO CCC[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000527106945 262816158 /nfs/dbraw/zinc/81/61/58/262816158.db2.gz ZSTIZMPFENJSSC-NSHDSACASA-N 1 0 225.763 3.785 20 0 BHADRO CC[N@H+](CCCCOc1ccccc1)CC1CC1 ZINC000527108894 387940483 /nfs/dbraw/zinc/94/04/83/387940483.db2.gz KACPBWJZWMNJQC-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000527110469 387936509 /nfs/dbraw/zinc/93/65/09/387936509.db2.gz NETDPDCNDPSILI-GHMZBOCLSA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000527110470 387935894 /nfs/dbraw/zinc/93/58/94/387935894.db2.gz NETDPDCNDPSILI-MNOVXSKESA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000527110471 262816823 /nfs/dbraw/zinc/81/68/23/262816823.db2.gz NETDPDCNDPSILI-QWRGUYRKSA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000527110472 387935923 /nfs/dbraw/zinc/93/59/23/387935923.db2.gz NETDPDCNDPSILI-WDEREUQCSA-N 1 0 247.304 3.640 20 0 BHADRO c1ccc(OCCCC[NH2+]CCCC2CC2)cc1 ZINC000527111240 262817952 /nfs/dbraw/zinc/81/79/52/262817952.db2.gz XBUQETSBJZUEOT-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000527111251 262817951 /nfs/dbraw/zinc/81/79/51/262817951.db2.gz YEYPMKAVYGCXNM-AAEUAGOBSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000527111252 262817955 /nfs/dbraw/zinc/81/79/55/262817955.db2.gz YEYPMKAVYGCXNM-DGCLKSJQSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000527111253 387291450 /nfs/dbraw/zinc/29/14/50/387291450.db2.gz YEYPMKAVYGCXNM-WCQYABFASA-N 1 0 235.346 3.565 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000527111254 387290660 /nfs/dbraw/zinc/29/06/60/387290660.db2.gz YEYPMKAVYGCXNM-YPMHNXCESA-N 1 0 235.346 3.565 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CCCC(C)C)o1 ZINC000527111351 387381902 /nfs/dbraw/zinc/38/19/02/387381902.db2.gz OSIOFMZRNSXBCM-CYBMUJFWSA-N 1 0 237.387 3.935 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CCCC(C)C)o1 ZINC000527111352 387382514 /nfs/dbraw/zinc/38/25/14/387382514.db2.gz OSIOFMZRNSXBCM-ZDUSSCGKSA-N 1 0 237.387 3.935 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+]C[C@H](C)CC ZINC000527111513 387383173 /nfs/dbraw/zinc/38/31/73/387383173.db2.gz VLYUVSOOECZNAS-GFCCVEGCSA-N 1 0 235.371 3.529 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](C)CC ZINC000527111514 387382885 /nfs/dbraw/zinc/38/28/85/387382885.db2.gz VLYUVSOOECZNAS-LBPRGKRZSA-N 1 0 235.371 3.529 20 0 BHADRO CC(C)CCC[NH2+]CCCCOc1ccccc1 ZINC000527111595 387383805 /nfs/dbraw/zinc/38/38/05/387383805.db2.gz DQCVRPPXIGHDNF-UHFFFAOYSA-N 1 0 249.398 3.871 20 0 BHADRO CC(C)(C)CC[NH2+]C1(c2ccccc2F)CC1 ZINC000527111633 387383845 /nfs/dbraw/zinc/38/38/45/387383845.db2.gz KRWHBECUSPXBPI-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000527111801 387382782 /nfs/dbraw/zinc/38/27/82/387382782.db2.gz XDZBDOUJMVQLHW-CABCVRRESA-N 1 0 249.398 3.870 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000527111802 387382870 /nfs/dbraw/zinc/38/28/70/387382870.db2.gz XDZBDOUJMVQLHW-GJZGRUSLSA-N 1 0 249.398 3.870 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000527111803 387382723 /nfs/dbraw/zinc/38/27/23/387382723.db2.gz XDZBDOUJMVQLHW-HUUCEWRRSA-N 1 0 249.398 3.870 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000527111804 387383330 /nfs/dbraw/zinc/38/33/30/387383330.db2.gz XDZBDOUJMVQLHW-LSDHHAIUSA-N 1 0 249.398 3.870 20 0 BHADRO CC(C)(C)CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000527111923 387383899 /nfs/dbraw/zinc/38/38/99/387383899.db2.gz ZFVRBSTXUVBUGE-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO C[C@H](C[NH2+]C1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000527112018 262818467 /nfs/dbraw/zinc/81/84/67/262818467.db2.gz UZPQGRUINVSABK-LLVKDONJSA-N 1 0 249.785 3.976 20 0 BHADRO C[C@@H](C[NH2+]C1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000527112019 387382957 /nfs/dbraw/zinc/38/29/57/387382957.db2.gz UZPQGRUINVSABK-NSHDSACASA-N 1 0 249.785 3.976 20 0 BHADRO Cc1cc(OCCC(C)(C)C)cc(C)[nH+]1 ZINC000527112478 387481035 /nfs/dbraw/zinc/48/10/35/387481035.db2.gz HFCOQRGEQPOHCH-UHFFFAOYSA-N 1 0 207.317 3.513 20 0 BHADRO Cc1ccc(NCCCC(C)C)c(C[NH+](C)C)c1 ZINC000527115878 323653718 /nfs/dbraw/zinc/65/37/18/323653718.db2.gz ZCQWENFIRBLTEG-UHFFFAOYSA-N 1 0 248.414 3.905 20 0 BHADRO CC[N@H+](CCCCOc1ccccc1)C1CCC1 ZINC000527116339 387485168 /nfs/dbraw/zinc/48/51/68/387485168.db2.gz PCZLZOIJPUNXGZ-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCCOc1ccccc1 ZINC000527116721 387484860 /nfs/dbraw/zinc/48/48/60/387484860.db2.gz UDAVGYZLXKCXIJ-HNNXBMFYSA-N 1 0 247.382 3.720 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCCOc1ccccc1 ZINC000527116722 387485072 /nfs/dbraw/zinc/48/50/72/387485072.db2.gz UDAVGYZLXKCXIJ-OAHLLOKOSA-N 1 0 247.382 3.720 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH+]1C2CCC1CC2 ZINC000527201263 398167798 /nfs/dbraw/zinc/16/77/98/398167798.db2.gz ZHBYCLJACOGWDE-PPWQZUPISA-N 1 0 219.372 3.606 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1C2CCC1CC2 ZINC000527201264 398167813 /nfs/dbraw/zinc/16/78/13/398167813.db2.gz ZHBYCLJACOGWDE-URGYJCLVSA-N 1 0 219.372 3.606 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1C2CCC1CC2 ZINC000527201265 398168102 /nfs/dbraw/zinc/16/81/02/398168102.db2.gz ZHBYCLJACOGWDE-VXGQWTEUSA-N 1 0 219.372 3.606 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1C2CCC1CC2 ZINC000527201266 398168170 /nfs/dbraw/zinc/16/81/70/398168170.db2.gz ZHBYCLJACOGWDE-XSCHDIRWSA-N 1 0 219.372 3.606 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000527218279 387538792 /nfs/dbraw/zinc/53/87/92/387538792.db2.gz AFJQTWIFPDKBSU-UHFFFAOYSA-N 1 0 235.346 3.647 20 0 BHADRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC1(F)CC1 ZINC000527218501 387540019 /nfs/dbraw/zinc/54/00/19/387540019.db2.gz WVMXDZBSSKFOMV-LLVKDONJSA-N 1 0 247.313 3.928 20 0 BHADRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC1(F)CC1 ZINC000527218504 387539403 /nfs/dbraw/zinc/53/94/03/387539403.db2.gz WVMXDZBSSKFOMV-NSHDSACASA-N 1 0 247.313 3.928 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)CC2(F)CC2)cc1 ZINC000527218802 387538681 /nfs/dbraw/zinc/53/86/81/387538681.db2.gz PIBGRFUQPNUIQS-UHFFFAOYSA-N 1 0 235.346 3.744 20 0 BHADRO FC1(C[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC000527218836 387538424 /nfs/dbraw/zinc/53/84/24/387538424.db2.gz WMUKKEKCZLGRLZ-UHFFFAOYSA-N 1 0 225.351 3.533 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cc1)CC1(F)CC1 ZINC000527218856 387537754 /nfs/dbraw/zinc/53/77/54/387537754.db2.gz BJOCULOECLYHIT-UHFFFAOYSA-N 1 0 241.737 3.664 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)c1)CC1(F)CC1 ZINC000527218908 387539307 /nfs/dbraw/zinc/53/93/07/387539307.db2.gz SQONUXBYLLXOFH-UHFFFAOYSA-N 1 0 241.737 3.664 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1)CC1(F)CC1 ZINC000527219026 387538475 /nfs/dbraw/zinc/53/84/75/387538475.db2.gz NPBZOIUSDLJMIU-UHFFFAOYSA-N 1 0 239.309 3.540 20 0 BHADRO FC1(C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000527219144 387539462 /nfs/dbraw/zinc/53/94/62/387539462.db2.gz IDFFJQJIMBZWMV-UHFFFAOYSA-N 1 0 225.351 3.533 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527219229 387537395 /nfs/dbraw/zinc/53/73/95/387537395.db2.gz UIQKSJAOZIBZPN-HNNXBMFYSA-N 1 0 247.357 3.504 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527219230 387538822 /nfs/dbraw/zinc/53/88/22/387538822.db2.gz UIQKSJAOZIBZPN-OAHLLOKOSA-N 1 0 247.357 3.504 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000527219239 387538549 /nfs/dbraw/zinc/53/85/49/387538549.db2.gz VVMNLTRRPGJGBB-UHFFFAOYSA-N 1 0 225.282 3.609 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000527219670 387542346 /nfs/dbraw/zinc/54/23/46/387542346.db2.gz RJWCUCOYGDEXDT-GFCCVEGCSA-N 1 0 227.367 3.637 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000527219671 387541229 /nfs/dbraw/zinc/54/12/29/387541229.db2.gz RJWCUCOYGDEXDT-LBPRGKRZSA-N 1 0 227.367 3.637 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(F)CC2)c1C ZINC000527219689 387541902 /nfs/dbraw/zinc/54/19/02/387541902.db2.gz VQRHUJIIFNIIQH-HNNXBMFYSA-N 1 0 247.357 3.942 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2(F)CC2)c1C ZINC000527219690 387542081 /nfs/dbraw/zinc/54/20/81/387542081.db2.gz VQRHUJIIFNIIQH-OAHLLOKOSA-N 1 0 247.357 3.942 20 0 BHADRO C[C@@H]([NH2+]CCCSc1ccccc1)C1CCC1 ZINC000527223654 262834469 /nfs/dbraw/zinc/83/44/69/262834469.db2.gz BZWAQPRMVMQZHL-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@H]([NH2+]CCCSc1ccccc1)C1CCC1 ZINC000527223655 262834416 /nfs/dbraw/zinc/83/44/16/262834416.db2.gz BZWAQPRMVMQZHL-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO CC(C)c1ccc(CCC[NH2+]CC2(F)CC2)cc1 ZINC000527227474 387541498 /nfs/dbraw/zinc/54/14/98/387541498.db2.gz KVAMPUFVYXXPON-UHFFFAOYSA-N 1 0 249.373 3.834 20 0 BHADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CCC1 ZINC000527227837 387541931 /nfs/dbraw/zinc/54/19/31/387541931.db2.gz JMWZLEDNVKBKRX-CXAGYDPISA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CCC1 ZINC000527227838 323664236 /nfs/dbraw/zinc/66/42/36/323664236.db2.gz JMWZLEDNVKBKRX-DYVFJYSZSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CCC1 ZINC000527227839 323664216 /nfs/dbraw/zinc/66/42/16/323664216.db2.gz JMWZLEDNVKBKRX-GUYCJALGSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CCC1 ZINC000527227840 323663889 /nfs/dbraw/zinc/66/38/89/323663889.db2.gz JMWZLEDNVKBKRX-SUMWQHHRSA-N 1 0 243.394 3.786 20 0 BHADRO FC1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000527229826 387542262 /nfs/dbraw/zinc/54/22/62/387542262.db2.gz CEVOBFOINCSZQG-UHFFFAOYSA-N 1 0 245.297 3.538 20 0 BHADRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CCC1 ZINC000527233411 262834763 /nfs/dbraw/zinc/83/47/63/262834763.db2.gz LNSPXEOSZRHNQA-AWEZNQCLSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CCC1 ZINC000527233412 262834907 /nfs/dbraw/zinc/83/49/07/262834907.db2.gz LNSPXEOSZRHNQA-CQSZACIVSA-N 1 0 243.394 3.788 20 0 BHADRO FC1(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000527233482 387543480 /nfs/dbraw/zinc/54/34/80/387543480.db2.gz KIDKNQNAMSNRJZ-CDNLZTBQSA-N 1 0 245.341 3.666 20 0 BHADRO FC1(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000527233484 262834951 /nfs/dbraw/zinc/83/49/51/262834951.db2.gz KIDKNQNAMSNRJZ-HVHJFMEUSA-N 1 0 245.341 3.666 20 0 BHADRO FC1(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000527233486 262834570 /nfs/dbraw/zinc/83/45/70/262834570.db2.gz KIDKNQNAMSNRJZ-WHLNPGIBSA-N 1 0 245.341 3.666 20 0 BHADRO FC1(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000527233487 387543400 /nfs/dbraw/zinc/54/34/00/387543400.db2.gz KIDKNQNAMSNRJZ-XVJNWHFHSA-N 1 0 245.341 3.666 20 0 BHADRO FC1(C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000527234616 262834879 /nfs/dbraw/zinc/83/48/79/262834879.db2.gz KGKPSJWISDPKQJ-UHFFFAOYSA-N 1 0 239.378 3.971 20 0 BHADRO CC1(CC[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000527237491 387545525 /nfs/dbraw/zinc/54/55/25/387545525.db2.gz FTHHTFUJCXQSCC-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)C1CCC1 ZINC000527237674 387545356 /nfs/dbraw/zinc/54/53/56/387545356.db2.gz UDEJHRGVIYFVKV-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]CCC1Cc2ccccc2C1)C1CCC1 ZINC000527237675 387545556 /nfs/dbraw/zinc/54/55/56/387545556.db2.gz UDEJHRGVIYFVKV-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2C=CCCC2)cc1 ZINC000527238233 262835416 /nfs/dbraw/zinc/83/54/16/262835416.db2.gz GRMDFCRHKOCSJP-CYBMUJFWSA-N 1 0 237.293 3.823 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2C=CCCC2)cc1 ZINC000527238234 387546042 /nfs/dbraw/zinc/54/60/42/387546042.db2.gz GRMDFCRHKOCSJP-ZDUSSCGKSA-N 1 0 237.293 3.823 20 0 BHADRO Cc1ccc2cc(C[N@H+]3[C@H](C)C[C@@H]3C)ccc2n1 ZINC000527238462 387546009 /nfs/dbraw/zinc/54/60/09/387546009.db2.gz DTRYXSVHMGTRRE-BETUJISGSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1ccc2cc(C[NH+]3[C@H](C)C[C@H]3C)ccc2n1 ZINC000527238465 387546424 /nfs/dbraw/zinc/54/64/24/387546424.db2.gz DTRYXSVHMGTRRE-CHWSQXEVSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1ccc2cc(C[NH+]3[C@@H](C)C[C@@H]3C)ccc2n1 ZINC000527238467 387546561 /nfs/dbraw/zinc/54/65/61/387546561.db2.gz DTRYXSVHMGTRRE-STQMWFEESA-N 1 0 240.350 3.526 20 0 BHADRO CC(C)CCn1cccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000527238474 387546466 /nfs/dbraw/zinc/54/64/66/387546466.db2.gz FOFAEDGFFXSYPA-KBPBESRZSA-N 1 0 234.387 3.517 20 0 BHADRO CC(C)CCn1cccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000527238481 387545922 /nfs/dbraw/zinc/54/59/22/387545922.db2.gz FOFAEDGFFXSYPA-OKILXGFUSA-N 1 0 234.387 3.517 20 0 BHADRO CC(C)CCn1cccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000527238482 387546214 /nfs/dbraw/zinc/54/62/14/387546214.db2.gz FOFAEDGFFXSYPA-ZIAGYGMSSA-N 1 0 234.387 3.517 20 0 BHADRO Cc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1Cl ZINC000527238818 387548420 /nfs/dbraw/zinc/54/84/20/387548420.db2.gz XQPDWWQLZNZTJE-GHMZBOCLSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000527238819 262836241 /nfs/dbraw/zinc/83/62/41/262836241.db2.gz XQPDWWQLZNZTJE-PHIMTYICSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000527238820 387548691 /nfs/dbraw/zinc/54/86/91/387548691.db2.gz XQPDWWQLZNZTJE-QWRGUYRKSA-N 1 0 223.747 3.631 20 0 BHADRO C[C@H](CC[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000527239120 387547679 /nfs/dbraw/zinc/54/76/79/387547679.db2.gz LNSADJDTUYFOGE-MCIONIFRSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@@H](CC[N@H+]1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000527239124 262835916 /nfs/dbraw/zinc/83/59/16/262835916.db2.gz LNSADJDTUYFOGE-MELADBBJSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](CC[NH+]1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000527239126 262836312 /nfs/dbraw/zinc/83/63/12/262836312.db2.gz LNSADJDTUYFOGE-MGPQQGTHSA-N 1 0 217.356 3.663 20 0 BHADRO C[C@H](CC[NH+]1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000527239127 387547091 /nfs/dbraw/zinc/54/70/91/387547091.db2.gz LNSADJDTUYFOGE-RDBSUJKOSA-N 1 0 217.356 3.663 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000527239609 262836052 /nfs/dbraw/zinc/83/60/52/262836052.db2.gz QUZGHMPWSKYLKQ-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000527239640 387548683 /nfs/dbraw/zinc/54/86/83/387548683.db2.gz XMYSVQSEINMBIG-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000527240789 387547977 /nfs/dbraw/zinc/54/79/77/387547977.db2.gz JXIPSLLMZGIELQ-CYBMUJFWSA-N 1 0 249.398 3.919 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000527240790 387547735 /nfs/dbraw/zinc/54/77/35/387547735.db2.gz JXIPSLLMZGIELQ-ZDUSSCGKSA-N 1 0 249.398 3.919 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)ccc1F ZINC000527241234 387547757 /nfs/dbraw/zinc/54/77/57/387547757.db2.gz AIFHYFVWOVSJGG-UHFFFAOYSA-N 1 0 223.335 3.755 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1 ZINC000527243259 387543952 /nfs/dbraw/zinc/54/39/52/387543952.db2.gz SWZPDJIUWBMOQO-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1 ZINC000527243260 387543756 /nfs/dbraw/zinc/54/37/56/387543756.db2.gz SWZPDJIUWBMOQO-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC3(F)CC3)C2)cc1 ZINC000527243457 387542954 /nfs/dbraw/zinc/54/29/54/387542954.db2.gz FPUQTQYGAXFNDG-DZGCQCFKSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC3(F)CC3)C2)cc1 ZINC000527243460 387543322 /nfs/dbraw/zinc/54/33/22/387543322.db2.gz FPUQTQYGAXFNDG-HIFRSBDPSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC3(F)CC3)C2)cc1 ZINC000527243461 387542875 /nfs/dbraw/zinc/54/28/75/387542875.db2.gz FPUQTQYGAXFNDG-UKRRQHHQSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC3(F)CC3)C2)cc1 ZINC000527243462 387543818 /nfs/dbraw/zinc/54/38/18/387543818.db2.gz FPUQTQYGAXFNDG-ZFWWWQNUSA-N 1 0 247.357 3.675 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)CC1(F)CC1 ZINC000527243664 387543727 /nfs/dbraw/zinc/54/37/27/387543727.db2.gz HSQQAHSILFULER-JLHYYAGUSA-N 1 0 233.330 3.524 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)CC1(F)CC1 ZINC000527243665 387543421 /nfs/dbraw/zinc/54/34/21/387543421.db2.gz HSQQAHSILFULER-RAXLEYEMSA-N 1 0 233.330 3.524 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](CC1CC1)C1CCC1 ZINC000527244353 387546195 /nfs/dbraw/zinc/54/61/95/387546195.db2.gz LAMBVKXXCDGABS-GFCCVEGCSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](CC1CC1)C1CCC1 ZINC000527244354 262835413 /nfs/dbraw/zinc/83/54/13/262835413.db2.gz LAMBVKXXCDGABS-LBPRGKRZSA-N 1 0 249.423 3.944 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)cc1 ZINC000527249152 387549700 /nfs/dbraw/zinc/54/97/00/387549700.db2.gz VKNJTYXEFLNAKL-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000527249153 387550103 /nfs/dbraw/zinc/55/01/03/387550103.db2.gz VKNJTYXEFLNAKL-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO CCC(CC)(C[NH2+]CC1(F)CC1)c1ccccc1 ZINC000527281113 388458560 /nfs/dbraw/zinc/45/85/60/388458560.db2.gz QKKLESAZJWVJPS-UHFFFAOYSA-N 1 0 249.373 3.836 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527291313 262924212 /nfs/dbraw/zinc/92/42/12/262924212.db2.gz LLKQDADHURYLBS-LLVKDONJSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527291314 262924350 /nfs/dbraw/zinc/92/43/50/262924350.db2.gz LLKQDADHURYLBS-NSHDSACASA-N 1 0 241.325 3.532 20 0 BHADRO C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000527296922 384257678 /nfs/dbraw/zinc/25/76/78/384257678.db2.gz BVHQTHQAUYDNBZ-FHMRSRPSSA-N 1 0 235.758 3.838 20 0 BHADRO C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000527296923 384257066 /nfs/dbraw/zinc/25/70/66/384257066.db2.gz BVHQTHQAUYDNBZ-KTLBGCOUSA-N 1 0 235.758 3.838 20 0 BHADRO C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000527296924 384258376 /nfs/dbraw/zinc/25/83/76/384258376.db2.gz BVHQTHQAUYDNBZ-OGOUPESXSA-N 1 0 235.758 3.838 20 0 BHADRO C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000527296925 384257114 /nfs/dbraw/zinc/25/71/14/384257114.db2.gz BVHQTHQAUYDNBZ-PYEVWLCESA-N 1 0 235.758 3.838 20 0 BHADRO C[N@H+](C/C=C\c1ccc(Cl)cc1)C1CCC1 ZINC000527298550 323032462 /nfs/dbraw/zinc/03/24/62/323032462.db2.gz ZHFJLRPBDIYOHS-ARJAWSKDSA-N 1 0 235.758 3.838 20 0 BHADRO C[N@H+](C/C=C/c1ccc(Cl)cc1)C1CCC1 ZINC000527298551 323032507 /nfs/dbraw/zinc/03/25/07/323032507.db2.gz ZHFJLRPBDIYOHS-ONEGZZNKSA-N 1 0 235.758 3.838 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000527298970 323036154 /nfs/dbraw/zinc/03/61/54/323036154.db2.gz AJQNCZGZFDGFIK-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000527298971 323036257 /nfs/dbraw/zinc/03/62/57/323036257.db2.gz AJQNCZGZFDGFIK-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000527298972 323036164 /nfs/dbraw/zinc/03/61/64/323036164.db2.gz AJQNCZGZFDGFIK-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000527298973 323036144 /nfs/dbraw/zinc/03/61/44/323036144.db2.gz AJQNCZGZFDGFIK-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000527303076 385344054 /nfs/dbraw/zinc/34/40/54/385344054.db2.gz XRZZBZUXNMDQJQ-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000527317809 386824116 /nfs/dbraw/zinc/82/41/16/386824116.db2.gz MXWJWAWQQDIWKR-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(F)ccc1F ZINC000527318888 386826995 /nfs/dbraw/zinc/82/69/95/386826995.db2.gz PMMLRTJYSKHSGT-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000527324414 387021572 /nfs/dbraw/zinc/02/15/72/387021572.db2.gz FEVVJKPRDXVIQX-HZMBPMFUSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000527324415 387022811 /nfs/dbraw/zinc/02/28/11/387022811.db2.gz FEVVJKPRDXVIQX-IINYFYTJSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000527324416 387021800 /nfs/dbraw/zinc/02/18/00/387021800.db2.gz FEVVJKPRDXVIQX-QMTHXVAHSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000527324417 387021664 /nfs/dbraw/zinc/02/16/64/387021664.db2.gz FEVVJKPRDXVIQX-YGRLFVJLSA-N 1 0 239.309 3.728 20 0 BHADRO CCc1ccccc1C[N@H+](C)CCC(F)(F)F ZINC000527324707 387021725 /nfs/dbraw/zinc/02/17/25/387021725.db2.gz HAVJTIHVBACGQC-UHFFFAOYSA-N 1 0 245.288 3.633 20 0 BHADRO C1CCC([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000527325932 387025809 /nfs/dbraw/zinc/02/58/09/387025809.db2.gz MWKGFZFFDILCHO-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC1CC(C)(C)C1 ZINC000527350113 387056053 /nfs/dbraw/zinc/05/60/53/387056053.db2.gz SEEUAITXOPCTJV-GFCCVEGCSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC1CC(C)(C)C1 ZINC000527350114 387054527 /nfs/dbraw/zinc/05/45/27/387054527.db2.gz SEEUAITXOPCTJV-LBPRGKRZSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC(C)(C)C1)c1cccnc1 ZINC000527351920 323196706 /nfs/dbraw/zinc/19/67/06/323196706.db2.gz KCBCFBRGKWHKDU-HNNXBMFYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC(C)(C)C1)c1cccnc1 ZINC000527351921 323196641 /nfs/dbraw/zinc/19/66/41/323196641.db2.gz KCBCFBRGKWHKDU-OAHLLOKOSA-N 1 0 246.398 3.805 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000527352176 355836236 /nfs/dbraw/zinc/83/62/36/355836236.db2.gz RIYDQXWIAOJSII-GFCCVEGCSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000527352177 355836227 /nfs/dbraw/zinc/83/62/27/355836227.db2.gz RIYDQXWIAOJSII-LBPRGKRZSA-N 1 0 246.398 3.731 20 0 BHADRO COc1ccc(C[NH2+]CCCC(C)C)c(C)c1 ZINC000527355033 386414830 /nfs/dbraw/zinc/41/48/30/386414830.db2.gz DSTFJCNZTDWCJZ-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)Cc1ccc(OC)cc1 ZINC000527355092 386413877 /nfs/dbraw/zinc/41/38/77/386413877.db2.gz SFJCHMNHYJPTLI-KBPBESRZSA-N 1 0 249.398 3.510 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)Cc1ccc(OC)cc1 ZINC000527355093 386415716 /nfs/dbraw/zinc/41/57/16/386415716.db2.gz SFJCHMNHYJPTLI-KGLIPLIRSA-N 1 0 249.398 3.510 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)Cc1ccc(OC)cc1 ZINC000527355094 386414559 /nfs/dbraw/zinc/41/45/59/386414559.db2.gz SFJCHMNHYJPTLI-UONOGXRCSA-N 1 0 249.398 3.510 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)Cc1ccc(OC)cc1 ZINC000527355095 262776031 /nfs/dbraw/zinc/77/60/31/262776031.db2.gz SFJCHMNHYJPTLI-ZIAGYGMSSA-N 1 0 249.398 3.510 20 0 BHADRO CC(C)CCC[NH2+]C1(C)Cc2ccccc2C1 ZINC000527355449 262775913 /nfs/dbraw/zinc/77/59/13/262775913.db2.gz NVHARFKADWGIKE-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO CCCC[C@H](CC)CC[N@H+](C)C1CCOCC1 ZINC000527355789 487572279 /nfs/dbraw/zinc/57/22/79/487572279.db2.gz IWVZEPWEBLGCLO-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](CC)CC[N@H+](C)C1CCOCC1 ZINC000527355790 487572338 /nfs/dbraw/zinc/57/23/38/487572338.db2.gz IWVZEPWEBLGCLO-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000527355833 386417328 /nfs/dbraw/zinc/41/73/28/386417328.db2.gz RIWFFEGKYTYMMZ-AWEZNQCLSA-N 1 0 235.371 3.576 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000527355834 386417481 /nfs/dbraw/zinc/41/74/81/386417481.db2.gz RIWFFEGKYTYMMZ-CQSZACIVSA-N 1 0 235.371 3.576 20 0 BHADRO COC[C@@H](C)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000527355881 323197681 /nfs/dbraw/zinc/19/76/81/323197681.db2.gz BUSQXJFJPOTLMD-AWEZNQCLSA-N 1 0 249.398 3.570 20 0 BHADRO COC[C@H](C)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000527355882 323197618 /nfs/dbraw/zinc/19/76/18/323197618.db2.gz BUSQXJFJPOTLMD-CQSZACIVSA-N 1 0 249.398 3.570 20 0 BHADRO C[C@H](C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000527355964 323197810 /nfs/dbraw/zinc/19/78/10/323197810.db2.gz DUCUUGYQWQPATE-LLVKDONJSA-N 1 0 223.747 3.539 20 0 BHADRO C[C@@H](C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000527355965 323197793 /nfs/dbraw/zinc/19/77/93/323197793.db2.gz DUCUUGYQWQPATE-NSHDSACASA-N 1 0 223.747 3.539 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](C)COC ZINC000527356082 386416720 /nfs/dbraw/zinc/41/67/20/386416720.db2.gz HEKPVLOAIYZUFC-GDBMZVCRSA-N 1 0 249.398 3.742 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](C)COC ZINC000527356083 386417359 /nfs/dbraw/zinc/41/73/59/386417359.db2.gz HEKPVLOAIYZUFC-GOEBONIOSA-N 1 0 249.398 3.742 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](C)COC ZINC000527356084 386417187 /nfs/dbraw/zinc/41/71/87/386417187.db2.gz HEKPVLOAIYZUFC-HOCLYGCPSA-N 1 0 249.398 3.742 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](C)COC ZINC000527356085 386417013 /nfs/dbraw/zinc/41/70/13/386417013.db2.gz HEKPVLOAIYZUFC-ZBFHGGJFSA-N 1 0 249.398 3.742 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000527356176 323197456 /nfs/dbraw/zinc/19/74/56/323197456.db2.gz HLMYKPAMIWANSB-DZGCQCFKSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000527356177 323197521 /nfs/dbraw/zinc/19/75/21/323197521.db2.gz HLMYKPAMIWANSB-HIFRSBDPSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000527356178 323197519 /nfs/dbraw/zinc/19/75/19/323197519.db2.gz HLMYKPAMIWANSB-UKRRQHHQSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000527356179 323197467 /nfs/dbraw/zinc/19/74/67/323197467.db2.gz HLMYKPAMIWANSB-ZFWWWQNUSA-N 1 0 249.398 3.579 20 0 BHADRO C[C@H](C[NH2+]CCCC1CC1)c1ccc(F)cc1 ZINC000527360917 386423489 /nfs/dbraw/zinc/42/34/89/386423489.db2.gz WXNZSKOWNDERFG-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](C[NH2+]CCCC1CC1)c1ccc(F)cc1 ZINC000527360918 386423688 /nfs/dbraw/zinc/42/36/88/386423688.db2.gz WXNZSKOWNDERFG-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO CC(C)CCC[NH2+]CCc1cccc(F)c1F ZINC000527360940 262776859 /nfs/dbraw/zinc/77/68/59/262776859.db2.gz BOBDFZKUSSGGNZ-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO COc1cccc(C[C@H](C)[NH2+]CCCC(C)C)c1 ZINC000527361101 262776853 /nfs/dbraw/zinc/77/68/53/262776853.db2.gz AXCGLFMMYPSLNN-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO COc1cccc(C[C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000527361102 386422716 /nfs/dbraw/zinc/42/27/16/386422716.db2.gz AXCGLFMMYPSLNN-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO COc1ccc(C2([NH2+]CCCC(C)C)CC2)cc1 ZINC000527361214 386423077 /nfs/dbraw/zinc/42/30/77/386423077.db2.gz ZFBXRBOHESCGQN-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CC(C)CCC[NH2+]CCc1cc(F)ccc1F ZINC000527361215 262776887 /nfs/dbraw/zinc/77/68/87/262776887.db2.gz BABVRINCXSDCSL-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO Cc1cc(OCc2cc(F)ccc2C)cc(C)[nH+]1 ZINC000527362195 398303741 /nfs/dbraw/zinc/30/37/41/398303741.db2.gz HOMFWXTWLVLAAE-UHFFFAOYSA-N 1 0 245.297 3.725 20 0 BHADRO CC1(C)CC(C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000527363510 386435182 /nfs/dbraw/zinc/43/51/82/386435182.db2.gz ZWSQGEIHERPJRN-UHFFFAOYSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CCCC(C)C)n1 ZINC000527365474 386442774 /nfs/dbraw/zinc/44/27/74/386442774.db2.gz DDQRBBHARVCOBW-INIZCTEOSA-N 1 0 246.398 3.963 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CCCC(C)C)n1 ZINC000527365475 386443623 /nfs/dbraw/zinc/44/36/23/386443623.db2.gz DDQRBBHARVCOBW-MRXNPFEDSA-N 1 0 246.398 3.963 20 0 BHADRO CCOCc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000527365677 386444481 /nfs/dbraw/zinc/44/44/81/386444481.db2.gz WKXWZYQWZMHTFM-UHFFFAOYSA-N 1 0 249.398 3.749 20 0 BHADRO CCC[N@H+](CCCCOc1ccccc1)C1CC1 ZINC000527366622 386446807 /nfs/dbraw/zinc/44/68/07/386446807.db2.gz GNKRDPZUPMEXNB-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000527489475 387581293 /nfs/dbraw/zinc/58/12/93/387581293.db2.gz IIGNRITYIBXDKC-CVEARBPZSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000527489476 387580738 /nfs/dbraw/zinc/58/07/38/387580738.db2.gz IIGNRITYIBXDKC-HOTGVXAUSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000527489477 387580609 /nfs/dbraw/zinc/58/06/09/387580609.db2.gz IIGNRITYIBXDKC-HZPDHXFCSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000527489478 387581001 /nfs/dbraw/zinc/58/10/01/387581001.db2.gz IIGNRITYIBXDKC-JKSUJKDBSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)o1 ZINC000527495097 359659959 /nfs/dbraw/zinc/65/99/59/359659959.db2.gz LFBDWSDCIOCOCU-BBRMVZONSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)o1 ZINC000527495098 359660033 /nfs/dbraw/zinc/66/00/33/359660033.db2.gz LFBDWSDCIOCOCU-CJNGLKHVSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)o1 ZINC000527495099 359659993 /nfs/dbraw/zinc/65/99/93/359659993.db2.gz LFBDWSDCIOCOCU-CZUORRHYSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)o1 ZINC000527495100 359659660 /nfs/dbraw/zinc/65/96/60/359659660.db2.gz LFBDWSDCIOCOCU-XJKSGUPXSA-N 1 0 247.382 3.713 20 0 BHADRO CC1(C)CCC[N@H+](CCCc2ccsc2)C1 ZINC000527505608 387588807 /nfs/dbraw/zinc/58/88/07/387588807.db2.gz SIODZJLZOTVCLT-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CCN(Cc1ccc(Cl)s1)CC1(F)CC1 ZINC000527509173 387587506 /nfs/dbraw/zinc/58/75/06/387587506.db2.gz SFUQYPBHRXHCTJ-UHFFFAOYSA-N 1 0 247.766 3.726 20 0 BHADRO FC1(C[N@@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000527509286 387586461 /nfs/dbraw/zinc/58/64/61/387586461.db2.gz LCLVYSLUFJHVHI-HNNXBMFYSA-N 1 0 247.357 3.586 20 0 BHADRO FC1(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000527509287 387587072 /nfs/dbraw/zinc/58/70/72/387587072.db2.gz LCLVYSLUFJHVHI-OAHLLOKOSA-N 1 0 247.357 3.586 20 0 BHADRO FC1(C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000527509360 387586945 /nfs/dbraw/zinc/58/69/45/387586945.db2.gz VOPZIOHRDWRRFF-CYBMUJFWSA-N 1 0 225.351 3.533 20 0 BHADRO FC1(C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000527509361 387587771 /nfs/dbraw/zinc/58/77/71/387587771.db2.gz VOPZIOHRDWRRFF-ZDUSSCGKSA-N 1 0 225.351 3.533 20 0 BHADRO FC1(C[N@@H+]2CCCCC[C@H]2c2ccncc2)CC1 ZINC000527509398 262849731 /nfs/dbraw/zinc/84/97/31/262849731.db2.gz YZCFCMBWVAVJJE-AWEZNQCLSA-N 1 0 248.345 3.501 20 0 BHADRO CC(C)N(Cc1ccccc1F)CC1(F)CC1 ZINC000527509953 387587705 /nfs/dbraw/zinc/58/77/05/387587705.db2.gz LXCMPQOHBJYZQQ-UHFFFAOYSA-N 1 0 239.309 3.538 20 0 BHADRO CCC[N@H+](CC1(F)CC1)[C@H]1CCc2ccccc21 ZINC000527510120 387588029 /nfs/dbraw/zinc/58/80/29/387588029.db2.gz PIUPYSADIXTDMA-HNNXBMFYSA-N 1 0 247.357 3.888 20 0 BHADRO CCC[N@H+](CC1(F)CC1)[C@@H]1CCc2ccccc21 ZINC000527510121 387588922 /nfs/dbraw/zinc/58/89/22/387588922.db2.gz PIUPYSADIXTDMA-OAHLLOKOSA-N 1 0 247.357 3.888 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC2(F)CC2)C1 ZINC000527510390 398170186 /nfs/dbraw/zinc/17/01/86/398170186.db2.gz JNNSXBPZMYGKCO-KBPBESRZSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC2(F)CC2)C1 ZINC000527510391 262850279 /nfs/dbraw/zinc/85/02/79/262850279.db2.gz JNNSXBPZMYGKCO-KGLIPLIRSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC2(F)CC2)C1 ZINC000527510392 262850446 /nfs/dbraw/zinc/85/04/46/262850446.db2.gz JNNSXBPZMYGKCO-UONOGXRCSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC2(F)CC2)C1 ZINC000527510393 398170291 /nfs/dbraw/zinc/17/02/91/398170291.db2.gz JNNSXBPZMYGKCO-ZIAGYGMSSA-N 1 0 247.357 3.675 20 0 BHADRO Cc1ccc(C(C)(C)C[N@@H+](C)CC2(F)CC2)cc1 ZINC000527510554 398170282 /nfs/dbraw/zinc/17/02/82/398170282.db2.gz LSYKJEZSLPIRRU-UHFFFAOYSA-N 1 0 249.373 3.707 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC1(F)CC1 ZINC000527510831 387590097 /nfs/dbraw/zinc/59/00/97/387590097.db2.gz LMWRLYYMZPMCOP-HNNXBMFYSA-N 1 0 249.373 3.750 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC1(F)CC1 ZINC000527510832 387589475 /nfs/dbraw/zinc/58/94/75/387589475.db2.gz LMWRLYYMZPMCOP-OAHLLOKOSA-N 1 0 249.373 3.750 20 0 BHADRO FC1(C[NH2+]CCc2csc3ccccc23)CC1 ZINC000527518168 387594032 /nfs/dbraw/zinc/59/40/32/387594032.db2.gz OIVFCGABYCDLBZ-UHFFFAOYSA-N 1 0 249.354 3.536 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)C1CCC1 ZINC000527519187 387592770 /nfs/dbraw/zinc/59/27/70/387592770.db2.gz AJNDAGDXQOGUES-BFQNTYOBSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CCC1 ZINC000527519188 387592396 /nfs/dbraw/zinc/59/23/96/387592396.db2.gz AJNDAGDXQOGUES-HSMVNMDESA-N 1 0 229.367 3.698 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CCC1 ZINC000527519189 387592680 /nfs/dbraw/zinc/59/26/80/387592680.db2.gz AJNDAGDXQOGUES-WQGACYEGSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)C1CCC1 ZINC000527519190 387592249 /nfs/dbraw/zinc/59/22/49/387592249.db2.gz AJNDAGDXQOGUES-XHBSWPGZSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000527519227 387593259 /nfs/dbraw/zinc/59/32/59/387593259.db2.gz HBKZZGJTJJVEQI-BLLLJJGKSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000527519228 387593219 /nfs/dbraw/zinc/59/32/19/387593219.db2.gz HBKZZGJTJJVEQI-LRDDRELGSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000527519229 387592158 /nfs/dbraw/zinc/59/21/58/387592158.db2.gz HBKZZGJTJJVEQI-MLGOLLRUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000527519230 262851862 /nfs/dbraw/zinc/85/18/62/262851862.db2.gz HBKZZGJTJJVEQI-WBMJQRKESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H](C)C2CCC2)cc1 ZINC000527520968 387592293 /nfs/dbraw/zinc/59/22/93/387592293.db2.gz UMJARYFBXJFREN-CYBMUJFWSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H](C)C2CCC2)cc1 ZINC000527520969 387592979 /nfs/dbraw/zinc/59/29/79/387592979.db2.gz UMJARYFBXJFREN-ZDUSSCGKSA-N 1 0 249.423 3.865 20 0 BHADRO CC(C)C[C@@H](C[NH2+]CCCF)c1ccccc1 ZINC000527522515 387593881 /nfs/dbraw/zinc/59/38/81/387593881.db2.gz NBQPSFCGLJBWCS-HNNXBMFYSA-N 1 0 237.362 3.766 20 0 BHADRO CC(C)C[C@H](C[NH2+]CCCF)c1ccccc1 ZINC000527522516 262851587 /nfs/dbraw/zinc/85/15/87/262851587.db2.gz NBQPSFCGLJBWCS-OAHLLOKOSA-N 1 0 237.362 3.766 20 0 BHADRO FC1(C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000527524183 387596414 /nfs/dbraw/zinc/59/64/14/387596414.db2.gz DTZSZWHSCMOCFX-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO Cc1ccccc1C1CC[NH+](CC2(F)CC2)CC1 ZINC000527525016 387595464 /nfs/dbraw/zinc/59/54/64/387595464.db2.gz BFPDWWDQWJRUHT-UHFFFAOYSA-N 1 0 247.357 3.677 20 0 BHADRO CC(C)C1CCC([N@H+](C)CC2(F)CC2)CC1 ZINC000527528236 398171316 /nfs/dbraw/zinc/17/13/16/398171316.db2.gz MRQKAHVMWIFPMD-UHFFFAOYSA-N 1 0 227.367 3.635 20 0 BHADRO CCCC1CCC([N@H+](C)CC2(F)CC2)CC1 ZINC000527528269 398171154 /nfs/dbraw/zinc/17/11/54/398171154.db2.gz APGNVTFYRRPKAP-UHFFFAOYSA-N 1 0 227.367 3.779 20 0 BHADRO CC1(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527528307 262854649 /nfs/dbraw/zinc/85/46/49/262854649.db2.gz LDPAVEMLGKYMDT-UHFFFAOYSA-N 1 0 239.309 3.904 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H](C)C1CCC1 ZINC000527528934 387598232 /nfs/dbraw/zinc/59/82/32/387598232.db2.gz IDWGPDOUCLUVEZ-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H](C)C1CCC1 ZINC000527528935 262852866 /nfs/dbraw/zinc/85/28/66/262852866.db2.gz IDWGPDOUCLUVEZ-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CCC[NH2+]CCCC(C)(C)C)cn1 ZINC000527529116 387598341 /nfs/dbraw/zinc/59/83/41/387598341.db2.gz LZLZAOKKIZJOAN-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO CCc1ccc(C(C)(C)C[NH2+]CC2(F)CC2)cc1 ZINC000527529129 387598600 /nfs/dbraw/zinc/59/86/00/387598600.db2.gz ODBBLFVNIWRGNF-UHFFFAOYSA-N 1 0 249.373 3.618 20 0 BHADRO Cc1ccc2[nH]c(C[NH+]3[C@@H](C)C[C@@H]3C)cc2c1C ZINC000527529582 387598312 /nfs/dbraw/zinc/59/83/12/387598312.db2.gz DVBMREUVZKUGCX-RYUDHWBXSA-N 1 0 242.366 3.767 20 0 BHADRO Cc1ccc2[nH]c(C[N@H+]3[C@H](C)C[C@@H]3C)cc2c1C ZINC000527529583 387597755 /nfs/dbraw/zinc/59/77/55/387597755.db2.gz DVBMREUVZKUGCX-TXEJJXNPSA-N 1 0 242.366 3.767 20 0 BHADRO Cc1ccc2[nH]c(C[NH+]3[C@H](C)C[C@H]3C)cc2c1C ZINC000527529584 387597730 /nfs/dbraw/zinc/59/77/30/387597730.db2.gz DVBMREUVZKUGCX-VXGBXAGGSA-N 1 0 242.366 3.767 20 0 BHADRO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1Cl ZINC000527529996 387599987 /nfs/dbraw/zinc/59/99/87/387599987.db2.gz HQTOIRBIDNMUMR-GHMZBOCLSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1Cl ZINC000527529997 387600481 /nfs/dbraw/zinc/60/04/81/387600481.db2.gz HQTOIRBIDNMUMR-PHIMTYICSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1Cl ZINC000527529998 387600025 /nfs/dbraw/zinc/60/00/25/387600025.db2.gz HQTOIRBIDNMUMR-QWRGUYRKSA-N 1 0 223.747 3.631 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C\c1ccccc1OC ZINC000527530486 262853298 /nfs/dbraw/zinc/85/32/98/262853298.db2.gz AMXHJJLBXLCYHC-LUAWRHEFSA-N 1 0 247.382 3.829 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C/c1ccccc1OC ZINC000527530487 387599867 /nfs/dbraw/zinc/59/98/67/387599867.db2.gz AMXHJJLBXLCYHC-PKNBQFBNSA-N 1 0 247.382 3.829 20 0 BHADRO Cc1cc(C[N@@H+]2CCC3(C2)CCCCC3)ccn1 ZINC000527531686 387620576 /nfs/dbraw/zinc/62/05/76/387620576.db2.gz AVZWEVVCOOLEEJ-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)ccn1 ZINC000527531846 387620380 /nfs/dbraw/zinc/62/03/80/387620380.db2.gz CLTGPLYVQWZFKG-BMFZPTHFSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccn1 ZINC000527531847 387621553 /nfs/dbraw/zinc/62/15/53/387621553.db2.gz CLTGPLYVQWZFKG-FVQBIDKESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccn1 ZINC000527531848 387619963 /nfs/dbraw/zinc/61/99/63/387619963.db2.gz CLTGPLYVQWZFKG-KBMXLJTQSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)ccn1 ZINC000527531850 262860341 /nfs/dbraw/zinc/86/03/41/262860341.db2.gz CLTGPLYVQWZFKG-VNQPRFMTSA-N 1 0 244.382 3.543 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000527532501 387623741 /nfs/dbraw/zinc/62/37/41/387623741.db2.gz FTBKQCJXZAOYOE-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000527532506 387623284 /nfs/dbraw/zinc/62/32/84/387623284.db2.gz FTBKQCJXZAOYOE-JSGCOSHPSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000527532508 387623312 /nfs/dbraw/zinc/62/33/12/387623312.db2.gz FTBKQCJXZAOYOE-OCCSQVGLSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccnc(C)c1)C1CC1 ZINC000527532510 387623028 /nfs/dbraw/zinc/62/30/28/387623028.db2.gz FTBKQCJXZAOYOE-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527533244 387625779 /nfs/dbraw/zinc/62/57/79/387625779.db2.gz HQWZWQQBDYLCAT-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527533246 387625185 /nfs/dbraw/zinc/62/51/85/387625185.db2.gz HQWZWQQBDYLCAT-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccn1 ZINC000527533511 262861418 /nfs/dbraw/zinc/86/14/18/262861418.db2.gz KBPVXQOMQKKINX-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cc(C[NH+](CC(C)C)CC(C)C)ccn1 ZINC000527534246 262862020 /nfs/dbraw/zinc/86/20/20/262862020.db2.gz NVTYLJOQCQVJAH-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)ccn1 ZINC000527534281 387627181 /nfs/dbraw/zinc/62/71/81/387627181.db2.gz OAUWKWXXTNXKHF-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)ccn1 ZINC000527534284 387626597 /nfs/dbraw/zinc/62/65/97/387626597.db2.gz OAUWKWXXTNXKHF-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCCCC2)ccn1 ZINC000527534472 387627520 /nfs/dbraw/zinc/62/75/20/387627520.db2.gz MXDZODWLSQROFS-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO Cc1cc(C[N@@H+](CC(C)C)C2CCCC2)ccn1 ZINC000527534859 387629399 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387606436 /nfs/dbraw/zinc/60/64/36/387606436.db2.gz AHSLMHQNZDRWCX-INWMFGNUSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)ccn1 ZINC000527537991 262855401 /nfs/dbraw/zinc/85/54/01/262855401.db2.gz AHSLMHQNZDRWCX-IVMMDQJWSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)ccn1 ZINC000527537992 387605651 /nfs/dbraw/zinc/60/56/51/387605651.db2.gz AHSLMHQNZDRWCX-NOLJZWGESA-N 1 0 246.398 3.694 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527538019 387606904 /nfs/dbraw/zinc/60/69/04/387606904.db2.gz IQPIFUUZBDXWEI-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527538020 387607038 /nfs/dbraw/zinc/60/70/38/387607038.db2.gz IQPIFUUZBDXWEI-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)ccn1 ZINC000527538582 387607087 /nfs/dbraw/zinc/60/70/87/387607087.db2.gz FGKVIWZZTIQEML-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)ccn1 ZINC000527538588 387606738 /nfs/dbraw/zinc/60/67/38/387606738.db2.gz FGKVIWZZTIQEML-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC23CCCCC3)ccn1 ZINC000527538727 387605769 /nfs/dbraw/zinc/60/57/69/387605769.db2.gz LIWNXBNTQUVEPL-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)ccn1 ZINC000527538835 387606416 /nfs/dbraw/zinc/60/64/16/387606416.db2.gz NLJBISHFFCUURR-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO Cc1cc(C[NH+]2CCCCCCCC2)ccn1 ZINC000527539024 387609369 /nfs/dbraw/zinc/60/93/69/387609369.db2.gz ICSNYOSSJWOEQS-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527539306 387609412 /nfs/dbraw/zinc/60/94/12/387609412.db2.gz QGRUXKQABSWVQK-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527539307 387609277 /nfs/dbraw/zinc/60/92/77/387609277.db2.gz QGRUXKQABSWVQK-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CC(C)(C)C2)ccn1 ZINC000527540150 387610590 /nfs/dbraw/zinc/61/05/90/387610590.db2.gz PFOHVBJCFAMMJQ-UHFFFAOYSA-N 1 0 246.398 3.789 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C2CCCCC2)ccn1 ZINC000527541032 387614455 /nfs/dbraw/zinc/61/44/55/387614455.db2.gz YGEKZAXSFMXTBT-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C2CCCCC2)ccn1 ZINC000527541033 387613277 /nfs/dbraw/zinc/61/32/77/387613277.db2.gz YGEKZAXSFMXTBT-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO c1coc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000527585898 387634514 /nfs/dbraw/zinc/63/45/14/387634514.db2.gz CRKYUXXSKRFQPD-UHFFFAOYSA-N 1 0 227.307 3.542 20 0 BHADRO Cc1cocc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000527588505 387634189 /nfs/dbraw/zinc/63/41/89/387634189.db2.gz KCGWHUWYQMWFGB-UHFFFAOYSA-N 1 0 241.334 3.851 20 0 BHADRO c1cc(-c2ccc(C[NH+]3CCCC3)cc2)co1 ZINC000527589495 262864813 /nfs/dbraw/zinc/86/48/13/262864813.db2.gz WDYPGGDFEMDZGK-UHFFFAOYSA-N 1 0 227.307 3.542 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+]C1CCCC1 ZINC000527628955 262866224 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WEOAQQSTRFZQGP-UHFFFAOYSA-N 1 0 237.290 3.657 20 0 BHADRO Fc1ccc(F)c(C[NH2+]C2CCCC2)c1Cl ZINC000527630185 387641361 /nfs/dbraw/zinc/64/13/61/387641361.db2.gz YMNSKIZQCYSFNU-UHFFFAOYSA-N 1 0 245.700 3.650 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]C1CCCCC1 ZINC000527631095 387643125 /nfs/dbraw/zinc/64/31/25/387643125.db2.gz DRIQYGZPVPAROY-UHFFFAOYSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631407 387643338 /nfs/dbraw/zinc/64/33/38/387643338.db2.gz LEYLHLKUEJGESO-APYUEPQZSA-N 1 0 247.382 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631409 387643911 /nfs/dbraw/zinc/64/39/11/387643911.db2.gz LEYLHLKUEJGESO-KNPMLCFXSA-N 1 0 247.382 3.625 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631410 387643874 /nfs/dbraw/zinc/64/38/74/387643874.db2.gz LEYLHLKUEJGESO-MPTQWLOMSA-N 1 0 247.382 3.625 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)[C@@H]1C[C@H]1C1CC1 ZINC000527631412 387643698 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C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1C[C@H]1C1CC1 ZINC000527637033 387646476 /nfs/dbraw/zinc/64/64/76/387646476.db2.gz HEOCDVARMOTMJA-HJPIBITLSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1C[C@H]1C1CC1 ZINC000527637035 387646543 /nfs/dbraw/zinc/64/65/43/387646543.db2.gz HEOCDVARMOTMJA-KJEVXHAQSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1C[C@H]1C1CC1 ZINC000527637037 387647230 /nfs/dbraw/zinc/64/72/30/387647230.db2.gz HEOCDVARMOTMJA-SDJAHQOYSA-N 1 0 245.366 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)s1 ZINC000527637204 387647170 /nfs/dbraw/zinc/64/71/70/387647170.db2.gz BVJMYHNNIRXKBU-BPNCWPANSA-N 1 0 235.396 3.581 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)s1 ZINC000527637205 387646857 /nfs/dbraw/zinc/64/68/57/387646857.db2.gz BVJMYHNNIRXKBU-SWHYSGLUSA-N 1 0 235.396 3.581 20 0 BHADRO CCC(F)(F)C(C)(C)CNc1cccc(C)[nH+]1 ZINC000527638983 262868461 /nfs/dbraw/zinc/86/84/61/262868461.db2.gz 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CCFHRCIJPUETJF-DRZSPHRISA-N 1 0 235.396 3.581 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527644128 262869450 /nfs/dbraw/zinc/86/94/50/262869450.db2.gz CCFHRCIJPUETJF-WXHSDQCUSA-N 1 0 235.396 3.581 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+]CC1CCC1 ZINC000527644958 387652402 /nfs/dbraw/zinc/65/24/02/387652402.db2.gz KDDQVUVYWLXFCZ-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C ZINC000527655555 262872455 /nfs/dbraw/zinc/87/24/55/262872455.db2.gz IXKWLCNLGPXBKQ-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@H]1C ZINC000527655556 387662577 /nfs/dbraw/zinc/66/25/77/387662577.db2.gz IXKWLCNLGPXBKQ-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C ZINC000527655557 387663079 /nfs/dbraw/zinc/66/30/79/387663079.db2.gz IXKWLCNLGPXBKQ-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000527655558 387662190 /nfs/dbraw/zinc/66/21/90/387662190.db2.gz IXKWLCNLGPXBKQ-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000527656464 387662158 /nfs/dbraw/zinc/66/21/58/387662158.db2.gz HTCUDOVHSMFQID-APYUEPQZSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000527656465 387662155 /nfs/dbraw/zinc/66/21/55/387662155.db2.gz HTCUDOVHSMFQID-KNPMLCFXSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000527656467 387662080 /nfs/dbraw/zinc/66/20/80/387662080.db2.gz HTCUDOVHSMFQID-MPTQWLOMSA-N 1 0 229.367 3.772 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527656468 387662567 /nfs/dbraw/zinc/66/25/67/387662567.db2.gz HTCUDOVHSMFQID-VZAMPYOESA-N 1 0 229.367 3.772 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527658638 387663810 /nfs/dbraw/zinc/66/38/10/387663810.db2.gz YAANTDWSMVYEJV-UHFFFAOYSA-N 1 0 230.355 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC=CCC1 ZINC000527663248 387663709 /nfs/dbraw/zinc/66/37/09/387663709.db2.gz XEMGXFVMPKIZAU-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC=CCC1 ZINC000527663249 387664253 /nfs/dbraw/zinc/66/42/53/387664253.db2.gz XEMGXFVMPKIZAU-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527668498 262870204 /nfs/dbraw/zinc/87/02/04/262870204.db2.gz GWCPKRHWWQBOJW-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527668499 262870269 /nfs/dbraw/zinc/87/02/69/262870269.db2.gz GWCPKRHWWQBOJW-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527668500 387653538 /nfs/dbraw/zinc/65/35/38/387653538.db2.gz GWCPKRHWWQBOJW-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527668501 387653414 /nfs/dbraw/zinc/65/34/14/387653414.db2.gz GWCPKRHWWQBOJW-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000527669708 387653339 /nfs/dbraw/zinc/65/33/39/387653339.db2.gz YFESPHCVXDHARS-DDWPSWQVSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000527669711 387654204 /nfs/dbraw/zinc/65/42/04/387654204.db2.gz YFESPHCVXDHARS-IPOQPSJVSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000527669713 387654516 /nfs/dbraw/zinc/65/45/16/387654516.db2.gz YFESPHCVXDHARS-MEYUZBJRSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000527669715 387653532 /nfs/dbraw/zinc/65/35/32/387653532.db2.gz YFESPHCVXDHARS-VCOSZWKGSA-N 1 0 244.382 3.557 20 0 BHADRO CC1(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527670554 387654140 /nfs/dbraw/zinc/65/41/40/387654140.db2.gz QFVQWOJMGYXKLE-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CC1CC([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527671295 387654239 /nfs/dbraw/zinc/65/42/39/387654239.db2.gz UAYFDXIPZMUDHS-UHFFFAOYSA-N 1 0 249.301 3.655 20 0 BHADRO CC1CC([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527671319 387653565 /nfs/dbraw/zinc/65/35/65/387653565.db2.gz UNCGKWSCQQPVDI-UHFFFAOYSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527677552 387656800 /nfs/dbraw/zinc/65/68/00/387656800.db2.gz VWHZHOUFAASVGB-BQUFFADESA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527677554 262870861 /nfs/dbraw/zinc/87/08/61/262870861.db2.gz VWHZHOUFAASVGB-IXOXFDKPSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527677556 387657003 /nfs/dbraw/zinc/65/70/03/387657003.db2.gz VWHZHOUFAASVGB-RYDUCSDGSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527677558 387656116 /nfs/dbraw/zinc/65/61/16/387656116.db2.gz VWHZHOUFAASVGB-XEZLXBQYSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527680617 387655904 /nfs/dbraw/zinc/65/59/04/387655904.db2.gz AEEOSSFOOAQFBX-CQDKDKBSSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527680618 387655287 /nfs/dbraw/zinc/65/52/87/387655287.db2.gz AEEOSSFOOAQFBX-UGFHNGPFSA-N 1 0 219.372 3.511 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527681399 387656465 /nfs/dbraw/zinc/65/64/65/387656465.db2.gz ACNQTMNSFOTBAJ-UBHSHLNASA-N 1 0 249.423 3.623 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527681407 262870720 /nfs/dbraw/zinc/87/07/20/262870720.db2.gz ACNQTMNSFOTBAJ-XBFCOCLRSA-N 1 0 249.423 3.623 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C2CCCC2)ccn1 ZINC000527684029 387657724 /nfs/dbraw/zinc/65/77/24/387657724.db2.gz RFBLVLPTOMTCSX-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527689077 387653639 /nfs/dbraw/zinc/65/36/39/387653639.db2.gz VSAXFUNHWZNFKK-ICCXJUOJSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527689078 387653043 /nfs/dbraw/zinc/65/30/43/387653043.db2.gz VSAXFUNHWZNFKK-XDTLVQLUSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]CCCc1cccs1)[C@@H]1C[C@H]1C1CC1 ZINC000527689173 387657740 /nfs/dbraw/zinc/65/77/40/387657740.db2.gz XPSNYNYFTQUYRZ-CQDKDKBSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccs1)[C@@H]1C[C@H]1C1CC1 ZINC000527689174 262871416 /nfs/dbraw/zinc/87/14/16/262871416.db2.gz XPSNYNYFTQUYRZ-UGFHNGPFSA-N 1 0 249.423 3.705 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCCCC2)ccn1 ZINC000527690108 387684585 /nfs/dbraw/zinc/68/45/85/387684585.db2.gz BRHPLAYSHSNKRK-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691361 262878334 /nfs/dbraw/zinc/87/83/34/262878334.db2.gz ISANMRVBDBCGEN-FIXIBIHLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691364 387685087 /nfs/dbraw/zinc/68/50/87/387685087.db2.gz ISANMRVBDBCGEN-GVARAGBVSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527691367 387685146 /nfs/dbraw/zinc/68/51/46/387685146.db2.gz ISANMRVBDBCGEN-JLUCKKNBSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691369 387684356 /nfs/dbraw/zinc/68/43/56/387684356.db2.gz ISANMRVBDBCGEN-PKIAMQTDSA-N 1 0 221.388 3.589 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691689 387684863 /nfs/dbraw/zinc/68/48/63/387684863.db2.gz KVEWQMLSWIEPER-IELRGYKMSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691698 262878362 /nfs/dbraw/zinc/87/83/62/262878362.db2.gz KVEWQMLSWIEPER-QTKMDUPCSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691699 387684921 /nfs/dbraw/zinc/68/49/21/387684921.db2.gz KVEWQMLSWIEPER-VGDYDELISA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527691702 262878359 /nfs/dbraw/zinc/87/83/59/262878359.db2.gz KVEWQMLSWIEPER-YJQGPUDQSA-N 1 0 249.320 3.742 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000527697055 387687491 /nfs/dbraw/zinc/68/74/91/387687491.db2.gz PRHUAHVLAXDLBR-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000527697056 387688084 /nfs/dbraw/zinc/68/80/84/387688084.db2.gz PRHUAHVLAXDLBR-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@H](C)C1 ZINC000527697057 387686497 /nfs/dbraw/zinc/68/64/97/387686497.db2.gz PRHUAHVLAXDLBR-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000527697058 387687759 /nfs/dbraw/zinc/68/77/59/387687759.db2.gz PRHUAHVLAXDLBR-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC12CCCC2 ZINC000527698639 387665595 /nfs/dbraw/zinc/66/55/95/387665595.db2.gz AWXOIXNJUNFSBW-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC12CCCC2 ZINC000527698640 387665884 /nfs/dbraw/zinc/66/58/84/387665884.db2.gz AWXOIXNJUNFSBW-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527699162 387665452 /nfs/dbraw/zinc/66/54/52/387665452.db2.gz FXPIKYAWMYHELH-BPNCWPANSA-N 1 0 235.396 3.581 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527699163 387665669 /nfs/dbraw/zinc/66/56/69/387665669.db2.gz FXPIKYAWMYHELH-SWHYSGLUSA-N 1 0 235.396 3.581 20 0 BHADRO CC(C)=CC[NH2+]Cc1ccsc1C(F)(F)F ZINC000527699727 517407159 /nfs/dbraw/zinc/40/71/59/517407159.db2.gz KTMHSWCOIHZJOU-UHFFFAOYSA-N 1 0 249.301 3.823 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CC2CCCCC2)ccn1 ZINC000527700006 387666176 /nfs/dbraw/zinc/66/61/76/387666176.db2.gz KWTVBBUOPMJZKV-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CC2CCCCC2)ccn1 ZINC000527700012 262873763 /nfs/dbraw/zinc/87/37/63/262873763.db2.gz KWTVBBUOPMJZKV-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701182 387665418 /nfs/dbraw/zinc/66/54/18/387665418.db2.gz RROHHVUBKNYQID-CQDKDKBSSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701184 387665677 /nfs/dbraw/zinc/66/56/77/387665677.db2.gz RROHHVUBKNYQID-UGFHNGPFSA-N 1 0 233.399 3.733 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000527702405 387668098 /nfs/dbraw/zinc/66/80/98/387668098.db2.gz FJOXAOQWBPCOSH-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000527702408 387668083 /nfs/dbraw/zinc/66/80/83/387668083.db2.gz FJOXAOQWBPCOSH-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000527702411 262873925 /nfs/dbraw/zinc/87/39/25/262873925.db2.gz FJOXAOQWBPCOSH-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000527702413 387668784 /nfs/dbraw/zinc/66/87/84/387668784.db2.gz FJOXAOQWBPCOSH-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000527704594 387667616 /nfs/dbraw/zinc/66/76/16/387667616.db2.gz HBDUXBHJMKSLJR-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000527704595 387667836 /nfs/dbraw/zinc/66/78/36/387667836.db2.gz HBDUXBHJMKSLJR-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527705846 387667266 /nfs/dbraw/zinc/66/72/66/387667266.db2.gz PKBCNFBCCHVUNA-LSJOCFKGSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527705847 262874275 /nfs/dbraw/zinc/87/42/75/262874275.db2.gz PKBCNFBCCHVUNA-MIMYLULJSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527707244 387668491 /nfs/dbraw/zinc/66/84/91/387668491.db2.gz BGHMKJYIJVICDX-CPCISQLKSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527707245 387668755 /nfs/dbraw/zinc/66/87/55/387668755.db2.gz BGHMKJYIJVICDX-HQJQHLMTSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527707246 387667201 /nfs/dbraw/zinc/66/72/01/387667201.db2.gz BGHMKJYIJVICDX-RDDDGLTNSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527707247 262874173 /nfs/dbraw/zinc/87/41/73/262874173.db2.gz BGHMKJYIJVICDX-WRWORJQWSA-N 1 0 245.700 3.506 20 0 BHADRO FC1(CC[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC000527707293 262874280 /nfs/dbraw/zinc/87/42/80/262874280.db2.gz DCBLEXMOXIJNLP-UHFFFAOYSA-N 1 0 246.329 3.540 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC1(C)C ZINC000527708324 387668041 /nfs/dbraw/zinc/66/80/41/387668041.db2.gz KWRDOSQXOBIQJO-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC1(C)C ZINC000527708325 387668872 /nfs/dbraw/zinc/66/88/72/387668872.db2.gz KWRDOSQXOBIQJO-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527710515 387669911 /nfs/dbraw/zinc/66/99/11/387669911.db2.gz ULYHQTQDXRCQBU-APPZFPTMSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527710517 387669821 /nfs/dbraw/zinc/66/98/21/387669821.db2.gz ULYHQTQDXRCQBU-CBAPKCEASA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527710519 262875129 /nfs/dbraw/zinc/87/51/29/262875129.db2.gz ULYHQTQDXRCQBU-IONNQARKSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527710520 262874957 /nfs/dbraw/zinc/87/49/57/262874957.db2.gz ULYHQTQDXRCQBU-VXNVDRBHSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CC1 ZINC000527711483 262874891 /nfs/dbraw/zinc/87/48/91/262874891.db2.gz FNGXRSYFTQHDQS-SSDOTTSWSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CC1 ZINC000527711485 387669929 /nfs/dbraw/zinc/66/99/29/387669929.db2.gz FNGXRSYFTQHDQS-ZETCQYMHSA-N 1 0 249.301 3.655 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527713005 387670467 /nfs/dbraw/zinc/67/04/67/387670467.db2.gz MFNCBXPVEHHXKB-BPNCWPANSA-N 1 0 235.396 3.581 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527713008 387670642 /nfs/dbraw/zinc/67/06/42/387670642.db2.gz MFNCBXPVEHHXKB-SWHYSGLUSA-N 1 0 235.396 3.581 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C(C)(C)C)ccn1 ZINC000527713538 262874901 /nfs/dbraw/zinc/87/49/01/262874901.db2.gz TWLZZOSUJHRFFH-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527713743 387670808 /nfs/dbraw/zinc/67/08/08/387670808.db2.gz SFXGKLBNCHFRJT-SSDOTTSWSA-N 1 0 245.700 3.506 20 0 BHADRO C[C@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527713746 387669877 /nfs/dbraw/zinc/66/98/77/387669877.db2.gz SFXGKLBNCHFRJT-ZETCQYMHSA-N 1 0 245.700 3.506 20 0 BHADRO CCC1([NH2+]Cc2ccnc(C)c2)CCCCC1 ZINC000527714775 387673051 /nfs/dbraw/zinc/67/30/51/387673051.db2.gz BLTAERWOHOONIK-UHFFFAOYSA-N 1 0 232.371 3.593 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527716129 387672112 /nfs/dbraw/zinc/67/21/12/387672112.db2.gz MIRIICXWGKTPBD-GJZGRUSLSA-N 1 0 242.366 3.550 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527716925 387672429 /nfs/dbraw/zinc/67/24/29/387672429.db2.gz AWGUWHIFQIEXFK-QMMMGPOBSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527717387 387671931 /nfs/dbraw/zinc/67/19/31/387671931.db2.gz URLSTVXRFCAFNX-BLQKSXIESA-N 1 0 233.399 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527717389 262875556 /nfs/dbraw/zinc/87/55/56/262875556.db2.gz URLSTVXRFCAFNX-BWAGICSOSA-N 1 0 233.399 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527717392 262875215 /nfs/dbraw/zinc/87/52/15/262875215.db2.gz URLSTVXRFCAFNX-GCUJQHFUSA-N 1 0 233.399 3.589 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527717396 387671681 /nfs/dbraw/zinc/67/16/81/387671681.db2.gz URLSTVXRFCAFNX-MVWHLILJSA-N 1 0 233.399 3.589 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000527717856 262875768 /nfs/dbraw/zinc/87/57/68/262875768.db2.gz ARONBYNUQSUGMB-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000527718223 262875921 /nfs/dbraw/zinc/87/59/21/262875921.db2.gz HBDUXBHJMKSLJR-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000527718225 387674083 /nfs/dbraw/zinc/67/40/83/387674083.db2.gz HBDUXBHJMKSLJR-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C2=CCCC2)ccn1 ZINC000527718422 387673765 /nfs/dbraw/zinc/67/37/65/387673765.db2.gz YNRIQSDMOPGGQV-UHFFFAOYSA-N 1 0 244.382 3.616 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527718838 387673812 /nfs/dbraw/zinc/67/38/12/387673812.db2.gz GCGVZLHITNVQFR-ZIAGYGMSSA-N 1 0 246.329 3.538 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)ccn1 ZINC000527719473 387673896 /nfs/dbraw/zinc/67/38/96/387673896.db2.gz GRNFKTQUZYZWQB-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)ccn1 ZINC000527719474 387674553 /nfs/dbraw/zinc/67/45/53/387674553.db2.gz GRNFKTQUZYZWQB-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)ccn1 ZINC000527719476 387675160 /nfs/dbraw/zinc/67/51/60/387675160.db2.gz GRNFKTQUZYZWQB-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)ccn1 ZINC000527719477 387673986 /nfs/dbraw/zinc/67/39/86/387673986.db2.gz GRNFKTQUZYZWQB-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527722315 387673887 /nfs/dbraw/zinc/67/38/87/387673887.db2.gz WARAVKWLWYSILU-CQDKDKBSSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527722317 387677487 /nfs/dbraw/zinc/67/74/87/387677487.db2.gz WARAVKWLWYSILU-UGFHNGPFSA-N 1 0 233.399 3.733 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]C1CC2(CCC2)C1 ZINC000527724388 387676729 /nfs/dbraw/zinc/67/67/29/387676729.db2.gz GTXXZXUNQLRUDP-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]C1CC(C)(C)C1 ZINC000527725528 387676996 /nfs/dbraw/zinc/67/69/96/387676996.db2.gz GEVXQPFRGZPYSS-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000527729334 387680821 /nfs/dbraw/zinc/68/08/21/387680821.db2.gz SVLCIBLBWKNWJL-INIZCTEOSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000527729336 387680138 /nfs/dbraw/zinc/68/01/38/387680138.db2.gz SVLCIBLBWKNWJL-MRXNPFEDSA-N 1 0 242.366 3.836 20 0 BHADRO c1cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2[nH]1 ZINC000527729814 262877271 /nfs/dbraw/zinc/87/72/71/262877271.db2.gz WVZXZAFIFHTCHZ-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC(C)CC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527731673 387680980 /nfs/dbraw/zinc/68/09/80/387680980.db2.gz VVARHGALKOUOPS-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000527733973 262877790 /nfs/dbraw/zinc/87/77/90/262877790.db2.gz RWTCHASSRLRFLX-UHFFFAOYSA-N 1 0 243.350 3.768 20 0 BHADRO C(C[C@@H]1CCCOC1)[NH2+]C1CCCCCCC1 ZINC000527735004 387682483 /nfs/dbraw/zinc/68/24/83/387682483.db2.gz BBXZDAJMQOWYKK-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[C@H]1CCCOC1)[NH2+]C1CCCCCCC1 ZINC000527735007 387682501 /nfs/dbraw/zinc/68/25/01/387682501.db2.gz BBXZDAJMQOWYKK-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000527735043 387682955 /nfs/dbraw/zinc/68/29/55/387682955.db2.gz WXSDADRSRQARNW-UHFFFAOYSA-N 1 0 242.366 3.503 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+]CC1CC=CC1 ZINC000527742277 387686989 /nfs/dbraw/zinc/68/69/89/387686989.db2.gz AEBMRIZDOXJLRZ-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO CC(C)([NH2+]CC1CC1)c1nc2ccccc2s1 ZINC000527742565 387687948 /nfs/dbraw/zinc/68/79/48/387687948.db2.gz CQBWRTQDGMGNMJ-UHFFFAOYSA-N 1 0 246.379 3.531 20 0 BHADRO CCC[C@@H](C[NH2+]C1CCC2(CC2)CC1)OCC ZINC000527743040 262879339 /nfs/dbraw/zinc/87/93/39/262879339.db2.gz HRTNDTGXSIBDJQ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+]C1CCC2(CC2)CC1)OCC ZINC000527743041 387687851 /nfs/dbraw/zinc/68/78/51/387687851.db2.gz HRTNDTGXSIBDJQ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO Fc1ccc(C[NH2+]CC2CC=CC2)cc1Cl ZINC000527743117 387687999 /nfs/dbraw/zinc/68/79/99/387687999.db2.gz FNOBRGIUDSSILM-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527743146 387689010 /nfs/dbraw/zinc/68/90/10/387689010.db2.gz FWCDUMJJENQNII-DLBZAZTESA-N 1 0 241.378 3.879 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527743147 387689276 /nfs/dbraw/zinc/68/92/76/387689276.db2.gz FWCDUMJJENQNII-IAGOWNOFSA-N 1 0 241.378 3.879 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527743148 387689635 /nfs/dbraw/zinc/68/96/35/387689635.db2.gz FWCDUMJJENQNII-IRXDYDNUSA-N 1 0 241.378 3.879 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527743150 387690296 /nfs/dbraw/zinc/69/02/96/387690296.db2.gz FWCDUMJJENQNII-SJORKVTESA-N 1 0 241.378 3.879 20 0 BHADRO CC(C)(C[NH2+]CC1CC=CC1)c1ccccc1 ZINC000527743190 387688945 /nfs/dbraw/zinc/68/89/45/387688945.db2.gz GKHROHJEUOGXAN-UHFFFAOYSA-N 1 0 229.367 3.520 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CC2CC=CC2)cc1F ZINC000527743203 387690601 /nfs/dbraw/zinc/69/06/01/387690601.db2.gz GNHNKNHSUWZBFD-UTCJRWHESA-N 1 0 249.304 3.534 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CC2CC=CC2)cc1F ZINC000527743205 387690200 /nfs/dbraw/zinc/69/02/00/387690200.db2.gz GNHNKNHSUWZBFD-ZZXKWVIFSA-N 1 0 249.304 3.534 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+]CC2CC=CC2)c1 ZINC000527743667 262879399 /nfs/dbraw/zinc/87/93/99/262879399.db2.gz HDYONFWWXSRVNH-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527743857 387688709 /nfs/dbraw/zinc/68/87/09/387688709.db2.gz JTXOVTPHVOVFQJ-NEPJUHHUSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527743859 262879396 /nfs/dbraw/zinc/87/93/96/262879396.db2.gz JTXOVTPHVOVFQJ-NWDGAFQWSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527743862 387689836 /nfs/dbraw/zinc/68/98/36/387689836.db2.gz JTXOVTPHVOVFQJ-RYUDHWBXSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527743864 387689084 /nfs/dbraw/zinc/68/90/84/387689084.db2.gz JTXOVTPHVOVFQJ-VXGBXAGGSA-N 1 0 247.304 3.663 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000527744346 387689046 /nfs/dbraw/zinc/68/90/46/387689046.db2.gz LQZARMCOKLHFPM-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO FC(F)c1ccc(C[NH2+]CC2CC=CC2)cc1 ZINC000527746046 387689976 /nfs/dbraw/zinc/68/99/76/387689976.db2.gz UDXZTVCRBNZFPM-UHFFFAOYSA-N 1 0 237.293 3.680 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCCC3)[C@H]21 ZINC000527746938 323675842 /nfs/dbraw/zinc/67/58/42/323675842.db2.gz ASMHRBMWNFRFPU-RRFJBIMHSA-N 1 0 247.769 3.510 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCCC3)[C@H]21 ZINC000527746955 398172628 /nfs/dbraw/zinc/17/26/28/398172628.db2.gz ASMHRBMWNFRFPU-ZNMIVQPWSA-N 1 0 247.769 3.510 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CC2CC=CC2)c(F)c1 ZINC000527747201 323675831 /nfs/dbraw/zinc/67/58/31/323675831.db2.gz YXMALSCMMSXTGR-UTCJRWHESA-N 1 0 249.304 3.534 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CC2CC=CC2)c(F)c1 ZINC000527747207 398172717 /nfs/dbraw/zinc/17/27/17/398172717.db2.gz YXMALSCMMSXTGR-ZZXKWVIFSA-N 1 0 249.304 3.534 20 0 BHADRO CC(C)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000527749313 323676664 /nfs/dbraw/zinc/67/66/64/323676664.db2.gz YUJWTGZEJCAKHE-UHFFFAOYSA-N 1 0 248.395 3.777 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]CC2CC=CC2)c1 ZINC000527749975 323676677 /nfs/dbraw/zinc/67/66/77/323676677.db2.gz ALFHXFUPVRWRIG-UHFFFAOYSA-N 1 0 245.366 3.530 20 0 BHADRO Fc1ccc2oc(C[NH2+]CC3CC=CC3)cc2c1 ZINC000527749982 323676804 /nfs/dbraw/zinc/67/68/04/323676804.db2.gz AUHUNBKRFPYNCA-UHFFFAOYSA-N 1 0 245.297 3.628 20 0 BHADRO Fc1ccc(C[NH2+]CC2CC=CC2)c(Cl)c1 ZINC000527749989 323676748 /nfs/dbraw/zinc/67/67/48/323676748.db2.gz BJFQOENYEJMACG-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO Fc1cccc(Cl)c1C[NH2+]CC1CC=CC1 ZINC000527750397 323677754 /nfs/dbraw/zinc/67/77/54/323677754.db2.gz LDDZVNQRNZQYET-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]CC2CC=CC2)cc1 ZINC000527750530 323677701 /nfs/dbraw/zinc/67/77/01/323677701.db2.gz MHQISKPZAMHRRU-UHFFFAOYSA-N 1 0 245.366 3.530 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CC1CC=CC1 ZINC000527750773 323677591 /nfs/dbraw/zinc/67/75/91/323677591.db2.gz PQQZCVNPYCRILU-KAMYIIQDSA-N 1 0 227.351 3.646 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CC1CC=CC1 ZINC000527750775 323677702 /nfs/dbraw/zinc/67/77/02/323677702.db2.gz PQQZCVNPYCRILU-SDNWHVSQSA-N 1 0 227.351 3.646 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]CC1CC=CC1 ZINC000527750785 323677403 /nfs/dbraw/zinc/67/74/03/323677403.db2.gz PYWGLVPKMDJZMA-UHFFFAOYSA-N 1 0 245.366 3.530 20 0 BHADRO Fc1cc(C[NH2+]CC2CC=CC2)ccc1Cl ZINC000527750798 323677645 /nfs/dbraw/zinc/67/76/45/323677645.db2.gz QBPLAFVMQYRIKX-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+]CC1CC=CC1 ZINC000527751750 323678634 /nfs/dbraw/zinc/67/86/34/323678634.db2.gz YYYIBJDRPGNFGT-UHFFFAOYSA-N 1 0 239.721 3.535 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000527759624 323681717 /nfs/dbraw/zinc/68/17/17/323681717.db2.gz BJRCJCFGFOJILR-INIZCTEOSA-N 1 0 242.366 3.516 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000527759625 387698015 /nfs/dbraw/zinc/69/80/15/387698015.db2.gz BJRCJCFGFOJILR-MRXNPFEDSA-N 1 0 242.366 3.516 20 0 BHADRO CCC([NH2+]Cc1ccoc1C)(C1CC1)C1CC1 ZINC000527760377 323682180 /nfs/dbraw/zinc/68/21/80/323682180.db2.gz BTOYICJONFBTHM-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccco1 ZINC000527760692 323682294 /nfs/dbraw/zinc/68/22/94/323682294.db2.gz HQBHCCLZIXOZEK-HNNXBMFYSA-N 1 0 243.350 3.781 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccco1 ZINC000527760694 387698924 /nfs/dbraw/zinc/69/89/24/387698924.db2.gz HQBHCCLZIXOZEK-OAHLLOKOSA-N 1 0 243.350 3.781 20 0 BHADRO CCC([NH2+]Cc1occc1C)(C1CC1)C1CC1 ZINC000527760878 387698130 /nfs/dbraw/zinc/69/81/30/387698130.db2.gz DBFQEKGNLBIQJP-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccoc1 ZINC000527761522 387698978 /nfs/dbraw/zinc/69/89/78/387698978.db2.gz KZUHGVMYXNMPEU-INIZCTEOSA-N 1 0 243.350 3.781 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccoc1 ZINC000527761523 387697712 /nfs/dbraw/zinc/69/77/12/387697712.db2.gz KZUHGVMYXNMPEU-MRXNPFEDSA-N 1 0 243.350 3.781 20 0 BHADRO CCC([NH2+]Cc1ccsc1)(C1CC1)C1CC1 ZINC000527762052 323682992 /nfs/dbraw/zinc/68/29/92/323682992.db2.gz HKBZMASMMRCYAK-UHFFFAOYSA-N 1 0 235.396 3.807 20 0 BHADRO CCC([NH2+]Cc1cccs1)(C1CC1)C1CC1 ZINC000527763009 387699593 /nfs/dbraw/zinc/69/95/93/387699593.db2.gz JYIZFSVGNQNVBX-UHFFFAOYSA-N 1 0 235.396 3.807 20 0 BHADRO CCC([NH2+]Cc1ccc(C)o1)(C1CC1)C1CC1 ZINC000527765682 323684463 /nfs/dbraw/zinc/68/44/63/323684463.db2.gz RQERRQBBWLYTIB-UHFFFAOYSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527769766 387703968 /nfs/dbraw/zinc/70/39/68/387703968.db2.gz BPJQHFZBVZRQHU-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527769769 387705270 /nfs/dbraw/zinc/70/52/70/387705270.db2.gz BPJQHFZBVZRQHU-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527769772 387704331 /nfs/dbraw/zinc/70/43/31/387704331.db2.gz BPJQHFZBVZRQHU-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527769775 387704584 /nfs/dbraw/zinc/70/45/84/387704584.db2.gz BPJQHFZBVZRQHU-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)[C@H]1C[C@H]1C ZINC000527770205 387704563 /nfs/dbraw/zinc/70/45/63/387704563.db2.gz FEUANOZVABQEJC-DSPQJCBJSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)[C@H]1C[C@H]1C ZINC000527770208 262881209 /nfs/dbraw/zinc/88/12/09/262881209.db2.gz FEUANOZVABQEJC-HLSYRSCKSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)[C@H]1C[C@H]1C ZINC000527770210 387704195 /nfs/dbraw/zinc/70/41/95/387704195.db2.gz FEUANOZVABQEJC-TWJWRFFLSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)[C@H]1C[C@H]1C ZINC000527770212 387705570 /nfs/dbraw/zinc/70/55/70/387705570.db2.gz FEUANOZVABQEJC-UNIGVISCSA-N 1 0 244.382 3.557 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2CCCC2)C2CCC2)nc1 ZINC000527775360 387703930 /nfs/dbraw/zinc/70/39/30/387703930.db2.gz ZYADXBBBRHRTFQ-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CC2CCCC2)C2CCC2)nc1 ZINC000527775361 387704573 /nfs/dbraw/zinc/70/45/73/387704573.db2.gz ZYADXBBBRHRTFQ-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1cncc(F)c1 ZINC000527785761 387711545 /nfs/dbraw/zinc/71/15/45/387711545.db2.gz CJVNHLJYQPUAFB-CHWSQXEVSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1cncc(F)c1 ZINC000527785763 387711808 /nfs/dbraw/zinc/71/18/08/387711808.db2.gz CJVNHLJYQPUAFB-OLZOCXBDSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1cncc(F)c1 ZINC000527785764 323692047 /nfs/dbraw/zinc/69/20/47/323692047.db2.gz CJVNHLJYQPUAFB-QWHCGFSZSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1cncc(F)c1 ZINC000527785766 323693102 /nfs/dbraw/zinc/69/31/02/323693102.db2.gz CJVNHLJYQPUAFB-STQMWFEESA-N 1 0 248.345 3.618 20 0 BHADRO c1csc(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527788082 387714572 /nfs/dbraw/zinc/71/45/72/387714572.db2.gz IYOFTMKFCWUQBK-GFCCVEGCSA-N 1 0 221.369 3.584 20 0 BHADRO c1csc(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527788085 323695002 /nfs/dbraw/zinc/69/50/02/323695002.db2.gz IYOFTMKFCWUQBK-LBPRGKRZSA-N 1 0 221.369 3.584 20 0 BHADRO FC1(F)CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000527789719 387714396 /nfs/dbraw/zinc/71/43/96/387714396.db2.gz NPBSUDFUWIGGKF-GFCCVEGCSA-N 1 0 243.341 3.900 20 0 BHADRO FC1(F)CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000527789721 387715741 /nfs/dbraw/zinc/71/57/41/387715741.db2.gz NPBSUDFUWIGGKF-LBPRGKRZSA-N 1 0 243.341 3.900 20 0 BHADRO c1cc(C[NH2+]CC[C@@H]2CC=CCC2)cs1 ZINC000527793039 262882473 /nfs/dbraw/zinc/88/24/73/262882473.db2.gz YQXTXWXFQHFHJN-GFCCVEGCSA-N 1 0 221.369 3.584 20 0 BHADRO c1cc(C[NH2+]CC[C@H]2CC=CCC2)cs1 ZINC000527793040 387719177 /nfs/dbraw/zinc/71/91/77/387719177.db2.gz YQXTXWXFQHFHJN-LBPRGKRZSA-N 1 0 221.369 3.584 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccncc1 ZINC000527796093 411243709 /nfs/dbraw/zinc/24/37/09/411243709.db2.gz IQNVITGXZBPBJS-DSJMHWKBSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccncc1 ZINC000527796095 262883288 /nfs/dbraw/zinc/88/32/88/262883288.db2.gz IQNVITGXZBPBJS-HLPPOEQASA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccncc1 ZINC000527796097 411243746 /nfs/dbraw/zinc/24/37/46/411243746.db2.gz IQNVITGXZBPBJS-IXYNUQLISA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccncc1 ZINC000527796100 262882989 /nfs/dbraw/zinc/88/29/89/262882989.db2.gz IQNVITGXZBPBJS-TTZDDIAXSA-N 1 0 246.398 3.599 20 0 BHADRO Cc1cccc([C@@H]([NH2+]Cc2cc[nH]c2)C(C)C)c1 ZINC000527814468 323698478 /nfs/dbraw/zinc/69/84/78/323698478.db2.gz SCTUNIJPMYZTGM-INIZCTEOSA-N 1 0 242.366 3.810 20 0 BHADRO Cc1cccc([C@H]([NH2+]Cc2cc[nH]c2)C(C)C)c1 ZINC000527814469 323698153 /nfs/dbraw/zinc/69/81/53/323698153.db2.gz SCTUNIJPMYZTGM-MRXNPFEDSA-N 1 0 242.366 3.810 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc(C)ccc1C ZINC000527817910 398173422 /nfs/dbraw/zinc/17/34/22/398173422.db2.gz DRSIJMSHKDQRBM-BPUTZDHNSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cc(C)ccc1C ZINC000527817911 398173435 /nfs/dbraw/zinc/17/34/35/398173435.db2.gz DRSIJMSHKDQRBM-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cc(C)ccc1C ZINC000527817912 398173431 /nfs/dbraw/zinc/17/34/31/398173431.db2.gz DRSIJMSHKDQRBM-KBMXLJTQSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(C)ccc1C ZINC000527817913 387707007 /nfs/dbraw/zinc/70/70/07/387707007.db2.gz DRSIJMSHKDQRBM-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+]Cc1cc[nH]c1)c1cc(C)ccc1C ZINC000527821323 387742312 /nfs/dbraw/zinc/74/23/12/387742312.db2.gz NCWDRDSQTZRFNM-INIZCTEOSA-N 1 0 242.366 3.872 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc[nH]c1)c1cc(C)ccc1C ZINC000527821328 387743882 /nfs/dbraw/zinc/74/38/82/387743882.db2.gz NCWDRDSQTZRFNM-MRXNPFEDSA-N 1 0 242.366 3.872 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC000527841169 387750104 /nfs/dbraw/zinc/75/01/04/387750104.db2.gz ABQUTXDYDHFJIR-CMPLNLGQSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC000527841170 387749899 /nfs/dbraw/zinc/74/98/99/387749899.db2.gz ABQUTXDYDHFJIR-JQWIXIFHSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC000527841171 387750110 /nfs/dbraw/zinc/75/01/10/387750110.db2.gz ABQUTXDYDHFJIR-PWSUYJOCSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC000527841172 387750946 /nfs/dbraw/zinc/75/09/46/387750946.db2.gz ABQUTXDYDHFJIR-ZYHUDNBSSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CC12CC2 ZINC000527841192 262888635 /nfs/dbraw/zinc/88/86/35/262888635.db2.gz AENRNDQXYKBQEE-GWCFXTLKSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CC12CC2 ZINC000527841193 387750739 /nfs/dbraw/zinc/75/07/39/387750739.db2.gz AENRNDQXYKBQEE-GXFFZTMASA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CC12CC2 ZINC000527841195 387751286 /nfs/dbraw/zinc/75/12/86/387751286.db2.gz AENRNDQXYKBQEE-MFKMUULPSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CC12CC2 ZINC000527841196 262888396 /nfs/dbraw/zinc/88/83/96/262888396.db2.gz AENRNDQXYKBQEE-ZWNOBZJWSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CC12CC2 ZINC000527841878 387751056 /nfs/dbraw/zinc/75/10/56/387751056.db2.gz FRKULKYCXGGSMK-BXUZGUMPSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CC12CC2 ZINC000527841885 387750899 /nfs/dbraw/zinc/75/08/99/387750899.db2.gz FRKULKYCXGGSMK-FZMZJTMJSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CC12CC2 ZINC000527841886 387751073 /nfs/dbraw/zinc/75/10/73/387751073.db2.gz FRKULKYCXGGSMK-RISCZKNCSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CC12CC2 ZINC000527841888 387751060 /nfs/dbraw/zinc/75/10/60/387751060.db2.gz FRKULKYCXGGSMK-SMDDNHRTSA-N 1 0 249.785 3.661 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]C2CC2)c1 ZINC000527841958 387750524 /nfs/dbraw/zinc/75/05/24/387750524.db2.gz HKOJYNFRSOIXJY-LLVKDONJSA-N 1 0 203.329 3.623 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]C2CC2)c1 ZINC000527841959 387751529 /nfs/dbraw/zinc/75/15/29/387751529.db2.gz HKOJYNFRSOIXJY-NSHDSACASA-N 1 0 203.329 3.623 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CC12CC2 ZINC000527842128 387751536 /nfs/dbraw/zinc/75/15/36/387751536.db2.gz ICPUPLMCEMPPLD-GXTWGEPZSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC12CC2 ZINC000527842129 262888430 /nfs/dbraw/zinc/88/84/30/262888430.db2.gz ICPUPLMCEMPPLD-JSGCOSHPSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC12CC2 ZINC000527842132 387750313 /nfs/dbraw/zinc/75/03/13/387750313.db2.gz ICPUPLMCEMPPLD-OCCSQVGLSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CC12CC2 ZINC000527842134 387750626 /nfs/dbraw/zinc/75/06/26/387750626.db2.gz ICPUPLMCEMPPLD-TZMCWYRMSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527844054 387753302 /nfs/dbraw/zinc/75/33/02/387753302.db2.gz HGTAAZYRTDFLAF-IPYPFGDCSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@@H]1CC12CC2 ZINC000527844056 387752191 /nfs/dbraw/zinc/75/21/91/387752191.db2.gz HGTAAZYRTDFLAF-NFAWXSAZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@H]1CC12CC2 ZINC000527844058 387753393 /nfs/dbraw/zinc/75/33/93/387753393.db2.gz HGTAAZYRTDFLAF-UMVBOHGHSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@H]1CC12CC2 ZINC000527844583 387752638 /nfs/dbraw/zinc/75/26/38/387752638.db2.gz GURGHLKWIZARSX-APHBMKBZSA-N 1 0 241.378 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@H]1CC12CC2 ZINC000527844585 387753093 /nfs/dbraw/zinc/75/30/93/387753093.db2.gz GURGHLKWIZARSX-MAZHCROVSA-N 1 0 241.378 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@@H]1CC12CC2 ZINC000527844587 323702258 /nfs/dbraw/zinc/70/22/58/323702258.db2.gz GURGHLKWIZARSX-RCBQFDQVSA-N 1 0 241.378 3.916 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@@H]1CC12CC2 ZINC000527844589 323702206 /nfs/dbraw/zinc/70/22/06/323702206.db2.gz GURGHLKWIZARSX-VBNZEHGJSA-N 1 0 241.378 3.916 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527844688 323703074 /nfs/dbraw/zinc/70/30/74/323703074.db2.gz HGTAAZYRTDFLAF-VNHYZAJKSA-N 1 0 229.367 3.568 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC23CC3)s1 ZINC000527845366 323703078 /nfs/dbraw/zinc/70/30/78/323703078.db2.gz CKDVYYCRPBAWNI-GWCFXTLKSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CC23CC3)s1 ZINC000527845369 323702860 /nfs/dbraw/zinc/70/28/60/323702860.db2.gz CKDVYYCRPBAWNI-GXFFZTMASA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CC23CC3)s1 ZINC000527845371 387753084 /nfs/dbraw/zinc/75/30/84/387753084.db2.gz CKDVYYCRPBAWNI-MFKMUULPSA-N 1 0 235.396 3.589 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)[C@H]2CC23CC3)s1 ZINC000527845374 323703170 /nfs/dbraw/zinc/70/31/70/323703170.db2.gz CKDVYYCRPBAWNI-ZWNOBZJWSA-N 1 0 235.396 3.589 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)[C@@H]1CC12CC2 ZINC000527845891 323703782 /nfs/dbraw/zinc/70/37/82/323703782.db2.gz KAQQVQOCZAASSX-JKOKRWQUSA-N 1 0 247.407 3.977 20 0 BHADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)[C@H]1CC12CC2 ZINC000527845898 323703847 /nfs/dbraw/zinc/70/38/47/323703847.db2.gz KAQQVQOCZAASSX-SUHUHFCYSA-N 1 0 247.407 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)[C@@H]1CC12CC2 ZINC000527845900 323704195 /nfs/dbraw/zinc/70/41/95/323704195.db2.gz KAQQVQOCZAASSX-VHRBIJSZSA-N 1 0 247.407 3.977 20 0 BHADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)[C@H]1CC12CC2 ZINC000527845902 387752477 /nfs/dbraw/zinc/75/24/77/387752477.db2.gz KAQQVQOCZAASSX-ZKYQVNSYSA-N 1 0 247.407 3.977 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000527846033 323703734 /nfs/dbraw/zinc/70/37/34/323703734.db2.gz LDAAXPPJLZDPQI-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000527846035 387752920 /nfs/dbraw/zinc/75/29/20/387752920.db2.gz LDAAXPPJLZDPQI-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000527846038 323703934 /nfs/dbraw/zinc/70/39/34/323703934.db2.gz LDAAXPPJLZDPQI-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000527846041 323703854 /nfs/dbraw/zinc/70/38/54/323703854.db2.gz LDAAXPPJLZDPQI-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CC12CC2 ZINC000527846127 323703766 /nfs/dbraw/zinc/70/37/66/323703766.db2.gz LMHAHRPMOQCIOS-BXUZGUMPSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CC12CC2 ZINC000527846130 387753216 /nfs/dbraw/zinc/75/32/16/387753216.db2.gz LMHAHRPMOQCIOS-FZMZJTMJSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CC12CC2 ZINC000527846134 323704266 /nfs/dbraw/zinc/70/42/66/323704266.db2.gz LMHAHRPMOQCIOS-RISCZKNCSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CC12CC2 ZINC000527846137 387753159 /nfs/dbraw/zinc/75/31/59/387753159.db2.gz LMHAHRPMOQCIOS-SMDDNHRTSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527846714 323703658 /nfs/dbraw/zinc/70/36/58/323703658.db2.gz YIFUUOIBSMBDJU-FMKPAKJESA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527846718 323705053 /nfs/dbraw/zinc/70/50/53/323705053.db2.gz YIFUUOIBSMBDJU-IIAWOOMASA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527846722 387752065 /nfs/dbraw/zinc/75/20/65/387752065.db2.gz YIFUUOIBSMBDJU-IJEWVQPXSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527846725 323704957 /nfs/dbraw/zinc/70/49/57/323704957.db2.gz YIFUUOIBSMBDJU-YCPHGPKFSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527847564 387754816 /nfs/dbraw/zinc/75/48/16/387754816.db2.gz FMKKRBDQLVHHFJ-BZPMIXESSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527847570 323704651 /nfs/dbraw/zinc/70/46/51/323704651.db2.gz FMKKRBDQLVHHFJ-DYEKYZERSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527847575 323704728 /nfs/dbraw/zinc/70/47/28/323704728.db2.gz FMKKRBDQLVHHFJ-MBNYWOFBSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527847579 323704790 /nfs/dbraw/zinc/70/47/90/323704790.db2.gz FMKKRBDQLVHHFJ-YRGRVCCFSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CC12CC2 ZINC000527848225 387753919 /nfs/dbraw/zinc/75/39/19/387753919.db2.gz IURPHSCTKGCQHL-MHDGFBEUSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CC12CC2 ZINC000527848227 387753992 /nfs/dbraw/zinc/75/39/92/387753992.db2.gz IURPHSCTKGCQHL-RFHZTLPTSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CC12CC2 ZINC000527848229 387755403 /nfs/dbraw/zinc/75/54/03/387755403.db2.gz IURPHSCTKGCQHL-UVLXDEKHSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CC12CC2 ZINC000527848233 387755262 /nfs/dbraw/zinc/75/52/62/387755262.db2.gz IURPHSCTKGCQHL-XWUBHJNHSA-N 1 0 245.366 3.681 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527849399 387755661 /nfs/dbraw/zinc/75/56/61/387755661.db2.gz FSHNDNIPBIONRQ-DZKIICNBSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527849402 323706317 /nfs/dbraw/zinc/70/63/17/323706317.db2.gz FSHNDNIPBIONRQ-LZWOXQAQSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527849405 323705868 /nfs/dbraw/zinc/70/58/68/323705868.db2.gz FSHNDNIPBIONRQ-OFQRWUPVSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527849409 323705745 /nfs/dbraw/zinc/70/57/45/323705745.db2.gz FSHNDNIPBIONRQ-SQWLQELKSA-N 1 0 243.394 3.704 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]C2CCOCC2)c1 ZINC000527849508 323705792 /nfs/dbraw/zinc/70/57/92/323705792.db2.gz LXMWMSKFUVUNRL-CYBMUJFWSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]C2CCOCC2)c1 ZINC000527849511 323706219 /nfs/dbraw/zinc/70/62/19/323706219.db2.gz LXMWMSKFUVUNRL-ZDUSSCGKSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC12CC2 ZINC000527851399 323707840 /nfs/dbraw/zinc/70/78/40/323707840.db2.gz ZDPANMSYARKRQO-GWCFXTLKSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CC12CC2 ZINC000527851403 387755358 /nfs/dbraw/zinc/75/53/58/387755358.db2.gz ZDPANMSYARKRQO-GXFFZTMASA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC12CC2 ZINC000527851407 323708284 /nfs/dbraw/zinc/70/82/84/323708284.db2.gz ZDPANMSYARKRQO-MFKMUULPSA-N 1 0 235.758 3.618 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CC12CC2 ZINC000527851412 323708190 /nfs/dbraw/zinc/70/81/90/323708190.db2.gz ZDPANMSYARKRQO-ZWNOBZJWSA-N 1 0 235.758 3.618 20 0 BHADRO CC[C@H]([NH2+]C1CCOCC1)c1cc(C)ccc1C ZINC000527852489 387755858 /nfs/dbraw/zinc/75/58/58/387755858.db2.gz RGKZCYUFICNQMM-INIZCTEOSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@@H]([NH2+]C1CCOCC1)c1cc(C)ccc1C ZINC000527852492 323707688 /nfs/dbraw/zinc/70/76/88/323707688.db2.gz RGKZCYUFICNQMM-MRXNPFEDSA-N 1 0 247.382 3.523 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527852651 323707799 /nfs/dbraw/zinc/70/77/99/323707799.db2.gz SJSNKFJBULNTBJ-HUBLWGQQSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)c1 ZINC000527852654 387755409 /nfs/dbraw/zinc/75/54/09/387755409.db2.gz SJSNKFJBULNTBJ-SLEUVZQESA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)c1 ZINC000527852657 323708373 /nfs/dbraw/zinc/70/83/73/323708373.db2.gz SJSNKFJBULNTBJ-YWPYICTPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)c1 ZINC000527852659 387754567 /nfs/dbraw/zinc/75/45/67/387754567.db2.gz SJSNKFJBULNTBJ-ZOWXZIJZSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC12CC2 ZINC000527852814 387755778 /nfs/dbraw/zinc/75/57/78/387755778.db2.gz OVYRBECRCJGAAU-PSASIEDQSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC12CC2 ZINC000527852823 387757539 /nfs/dbraw/zinc/75/75/39/387757539.db2.gz OVYRBECRCJGAAU-SCZZXKLOSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CC12CC2 ZINC000527852827 387758603 /nfs/dbraw/zinc/75/86/03/387758603.db2.gz OVYRBECRCJGAAU-WCBMZHEXSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CC12CC2 ZINC000527852830 323707900 /nfs/dbraw/zinc/70/79/00/323707900.db2.gz OVYRBECRCJGAAU-WPRPVWTQSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CC12CC2 ZINC000527852949 323708344 /nfs/dbraw/zinc/70/83/44/323708344.db2.gz PZKROYRVOWNMAS-BXUZGUMPSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CC12CC2 ZINC000527852953 323708145 /nfs/dbraw/zinc/70/81/45/323708145.db2.gz PZKROYRVOWNMAS-FZMZJTMJSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CC12CC2 ZINC000527852957 387756921 /nfs/dbraw/zinc/75/69/21/387756921.db2.gz PZKROYRVOWNMAS-RISCZKNCSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CC12CC2 ZINC000527852960 323707836 /nfs/dbraw/zinc/70/78/36/323707836.db2.gz PZKROYRVOWNMAS-SMDDNHRTSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H]1CC12CC2 ZINC000527853375 323707660 /nfs/dbraw/zinc/70/76/60/323707660.db2.gz OPVTXRGKVBREKE-PSOPSSQASA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H]1CC12CC2 ZINC000527853387 387755168 /nfs/dbraw/zinc/75/51/68/387755168.db2.gz OPVTXRGKVBREKE-VZJVUDMVSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H]1CC12CC2 ZINC000527853389 387757580 /nfs/dbraw/zinc/75/75/80/387757580.db2.gz OPVTXRGKVBREKE-XEGUGMAKSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H]1CC12CC2 ZINC000527853391 387757568 /nfs/dbraw/zinc/75/75/68/387757568.db2.gz OPVTXRGKVBREKE-ZBINZKHDSA-N 1 0 245.341 3.591 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527853458 387757424 /nfs/dbraw/zinc/75/74/24/387757424.db2.gz UQTMHZHMDLAXCN-GUTXKFCHSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)cc1 ZINC000527853460 387757323 /nfs/dbraw/zinc/75/73/23/387757323.db2.gz UQTMHZHMDLAXCN-GZBFAFLISA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527853464 323709537 /nfs/dbraw/zinc/70/95/37/323709537.db2.gz UQTMHZHMDLAXCN-KCQAQPDRSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527853467 387758091 /nfs/dbraw/zinc/75/80/91/387758091.db2.gz UQTMHZHMDLAXCN-YDHLFZDLSA-N 1 0 229.367 3.834 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H]1CC12CC2 ZINC000527856115 387757558 /nfs/dbraw/zinc/75/75/58/387757558.db2.gz ZTTHKJXRBXQYBB-COLVAYQJSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H]1CC12CC2 ZINC000527856117 323710060 /nfs/dbraw/zinc/71/00/60/323710060.db2.gz ZTTHKJXRBXQYBB-LKTVYLICSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@@H]1CC12CC2 ZINC000527856119 323709941 /nfs/dbraw/zinc/70/99/41/323709941.db2.gz ZTTHKJXRBXQYBB-NZVBXONLSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H]1CC12CC2 ZINC000527856121 387757847 /nfs/dbraw/zinc/75/78/47/387757847.db2.gz ZTTHKJXRBXQYBB-VQISRLSMSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CC12CC2 ZINC000527856289 323709946 /nfs/dbraw/zinc/70/99/46/323709946.db2.gz QDVMADCJAPALNY-AAEUAGOBSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H]1CC12CC2 ZINC000527856290 387758760 /nfs/dbraw/zinc/75/87/60/387758760.db2.gz QDVMADCJAPALNY-DGCLKSJQSA-N 1 0 249.785 3.661 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1Cl)[C@H]1CC12CC2 ZINC000527856291 323709958 /nfs/dbraw/zinc/70/99/58/323709958.db2.gz QDVMADCJAPALNY-WCQYABFASA-N 1 0 249.785 3.661 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CC12CC2 ZINC000527856292 387757930 /nfs/dbraw/zinc/75/79/30/387757930.db2.gz QDVMADCJAPALNY-YPMHNXCESA-N 1 0 249.785 3.661 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527856733 387758439 /nfs/dbraw/zinc/75/84/39/387758439.db2.gz WJTLUKVOTGFVGR-HUBLWGQQSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527856735 387757160 /nfs/dbraw/zinc/75/71/60/387757160.db2.gz WJTLUKVOTGFVGR-SLEUVZQESA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)cc1 ZINC000527856736 387757180 /nfs/dbraw/zinc/75/71/80/387757180.db2.gz WJTLUKVOTGFVGR-YWPYICTPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527856738 323710486 /nfs/dbraw/zinc/71/04/86/323710486.db2.gz WJTLUKVOTGFVGR-ZOWXZIJZSA-N 1 0 245.366 3.534 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527857150 323711116 /nfs/dbraw/zinc/71/11/16/323711116.db2.gz GDEVSQPDCNTQEM-FMKPAKJESA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527857151 323711165 /nfs/dbraw/zinc/71/11/65/323711165.db2.gz GDEVSQPDCNTQEM-IIAWOOMASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527857152 387758446 /nfs/dbraw/zinc/75/84/46/387758446.db2.gz GDEVSQPDCNTQEM-IJEWVQPXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527857153 387758607 /nfs/dbraw/zinc/75/86/07/387758607.db2.gz GDEVSQPDCNTQEM-YCPHGPKFSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)C(C)(C)C ZINC000527858453 323711043 /nfs/dbraw/zinc/71/10/43/323711043.db2.gz KKQCMFMKIOVWIG-SRVKXCTJSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)C(C)(C)C ZINC000527858454 323711054 /nfs/dbraw/zinc/71/10/54/323711054.db2.gz KKQCMFMKIOVWIG-TUAOUCFPSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)C(C)(C)C ZINC000527858455 323711041 /nfs/dbraw/zinc/71/10/41/323711041.db2.gz KKQCMFMKIOVWIG-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)C(C)(C)C ZINC000527858457 323711436 /nfs/dbraw/zinc/71/14/36/323711436.db2.gz KKQCMFMKIOVWIG-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccn1 ZINC000527858572 323711091 /nfs/dbraw/zinc/71/10/91/323711091.db2.gz LYYYMHHQPWJBLA-GUTXKFCHSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)c1ccccn1 ZINC000527858574 387756976 /nfs/dbraw/zinc/75/69/76/387756976.db2.gz LYYYMHHQPWJBLA-IPYPFGDCSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)c1ccccn1 ZINC000527858575 323711129 /nfs/dbraw/zinc/71/11/29/323711129.db2.gz LYYYMHHQPWJBLA-NFAWXSAZSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccn1 ZINC000527858576 323711016 /nfs/dbraw/zinc/71/10/16/323711016.db2.gz LYYYMHHQPWJBLA-YDHLFZDLSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1CC12CC2 ZINC000527859267 387760738 /nfs/dbraw/zinc/76/07/38/387760738.db2.gz OXZVSXAVBLQLBZ-JMSVASOKSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1CC12CC2 ZINC000527859268 323711855 /nfs/dbraw/zinc/71/18/55/323711855.db2.gz OXZVSXAVBLQLBZ-LALPHHSUSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)c1ccc(F)cc1 ZINC000527859269 387760069 /nfs/dbraw/zinc/76/00/69/387760069.db2.gz OXZVSXAVBLQLBZ-TYNCELHUSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccc(F)cc1 ZINC000527859270 323711862 /nfs/dbraw/zinc/71/18/62/323711862.db2.gz OXZVSXAVBLQLBZ-XUJVJEKNSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000527859501 387759860 /nfs/dbraw/zinc/75/98/60/387759860.db2.gz FRFQVYMQSRQVTO-CHWSQXEVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000527859503 387760472 /nfs/dbraw/zinc/76/04/72/387760472.db2.gz FRFQVYMQSRQVTO-OLZOCXBDSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000527859504 387759324 /nfs/dbraw/zinc/75/93/24/387759324.db2.gz FRFQVYMQSRQVTO-QWHCGFSZSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000527859506 323712263 /nfs/dbraw/zinc/71/22/63/323712263.db2.gz FRFQVYMQSRQVTO-STQMWFEESA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527860240 387760786 /nfs/dbraw/zinc/76/07/86/387760786.db2.gz VVNLVTIZYPBXLN-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527860242 387760950 /nfs/dbraw/zinc/76/09/50/387760950.db2.gz VVNLVTIZYPBXLN-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527860244 323712226 /nfs/dbraw/zinc/71/22/26/323712226.db2.gz VVNLVTIZYPBXLN-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527860245 387760749 /nfs/dbraw/zinc/76/07/49/387760749.db2.gz VVNLVTIZYPBXLN-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CC12CC2 ZINC000527861642 323701028 /nfs/dbraw/zinc/70/10/28/323701028.db2.gz MITCOMDQQSVUOG-DOMZBBRYSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CC12CC2 ZINC000527861647 323701041 /nfs/dbraw/zinc/70/10/41/323701041.db2.gz MITCOMDQQSVUOG-IUODEOHRSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CC12CC2 ZINC000527861649 323701131 /nfs/dbraw/zinc/70/11/31/323701131.db2.gz MITCOMDQQSVUOG-SWLSCSKDSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CC12CC2 ZINC000527861650 323701040 /nfs/dbraw/zinc/70/10/40/323701040.db2.gz MITCOMDQQSVUOG-WFASDCNBSA-N 1 0 247.357 3.537 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527862555 387738043 /nfs/dbraw/zinc/73/80/43/387738043.db2.gz FTHRTIKVUCXIIK-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527862557 323702010 /nfs/dbraw/zinc/70/20/10/323702010.db2.gz FTHRTIKVUCXIIK-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527862559 387738462 /nfs/dbraw/zinc/73/84/62/387738462.db2.gz FTHRTIKVUCXIIK-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527862560 323702166 /nfs/dbraw/zinc/70/21/66/323702166.db2.gz FTHRTIKVUCXIIK-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CC12CC2 ZINC000527864814 387737603 /nfs/dbraw/zinc/73/76/03/387737603.db2.gz NEEIKWPMSFLDBR-NEPJUHHUSA-N 1 0 249.423 3.804 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CC12CC2 ZINC000527864817 387738222 /nfs/dbraw/zinc/73/82/22/387738222.db2.gz NEEIKWPMSFLDBR-NWDGAFQWSA-N 1 0 249.423 3.804 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CC12CC2 ZINC000527864819 387737407 /nfs/dbraw/zinc/73/74/07/387737407.db2.gz NEEIKWPMSFLDBR-RYUDHWBXSA-N 1 0 249.423 3.804 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CC12CC2 ZINC000527864822 387738364 /nfs/dbraw/zinc/73/83/64/387738364.db2.gz NEEIKWPMSFLDBR-VXGBXAGGSA-N 1 0 249.423 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000527868442 387741298 /nfs/dbraw/zinc/74/12/98/387741298.db2.gz PNBUVBVFMTXCLF-AHDPXTMNSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CC12CC2 ZINC000527868444 387740393 /nfs/dbraw/zinc/74/03/93/387740393.db2.gz PNBUVBVFMTXCLF-BTFPBAQTSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CC12CC2 ZINC000527868447 387739814 /nfs/dbraw/zinc/73/98/14/387739814.db2.gz PNBUVBVFMTXCLF-LXFSFDBISA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000527868450 387740567 /nfs/dbraw/zinc/74/05/67/387740567.db2.gz PNBUVBVFMTXCLF-VQJWOFKYSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC12CC2 ZINC000527869297 387740278 /nfs/dbraw/zinc/74/02/78/387740278.db2.gz MIPMEVRHRPTQLH-HOJRLLLISA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527869300 387739532 /nfs/dbraw/zinc/73/95/32/387739532.db2.gz MIPMEVRHRPTQLH-KKOFPSKJSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527869304 387740142 /nfs/dbraw/zinc/74/01/42/387740142.db2.gz MIPMEVRHRPTQLH-MFNGEMCRSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC12CC2 ZINC000527869308 387740545 /nfs/dbraw/zinc/74/05/45/387740545.db2.gz MIPMEVRHRPTQLH-TWRYWWQQSA-N 1 0 241.378 3.711 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]CCCF)c1 ZINC000527869517 387741203 /nfs/dbraw/zinc/74/12/03/387741203.db2.gz GMLFNAXRFVUYGB-GFCCVEGCSA-N 1 0 223.335 3.820 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]CCCF)c1 ZINC000527869519 387740594 /nfs/dbraw/zinc/74/05/94/387740594.db2.gz GMLFNAXRFVUYGB-LBPRGKRZSA-N 1 0 223.335 3.820 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)[C@@H]1CC12CC2 ZINC000527870427 262886488 /nfs/dbraw/zinc/88/64/88/262886488.db2.gz XZARGKHFPSIPPY-AYDFFVQHSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1CC12CC2 ZINC000527870429 262886419 /nfs/dbraw/zinc/88/64/19/262886419.db2.gz XZARGKHFPSIPPY-CTASWTNQSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)[C@H]1CC12CC2 ZINC000527870431 262886258 /nfs/dbraw/zinc/88/62/58/262886258.db2.gz XZARGKHFPSIPPY-HLPPOEQASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)[C@H]1CC12CC2 ZINC000527870434 387741011 /nfs/dbraw/zinc/74/10/11/387741011.db2.gz XZARGKHFPSIPPY-TTZDDIAXSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H]1CC12CC2 ZINC000527870472 387741221 /nfs/dbraw/zinc/74/12/21/387741221.db2.gz QCZPKBHHLROSLA-COLVAYQJSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@@H]1CC12CC2 ZINC000527870475 387740618 /nfs/dbraw/zinc/74/06/18/387740618.db2.gz QCZPKBHHLROSLA-LKTVYLICSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@@H]1CC12CC2 ZINC000527870478 387740524 /nfs/dbraw/zinc/74/05/24/387740524.db2.gz QCZPKBHHLROSLA-NZVBXONLSA-N 1 0 245.341 3.591 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H]1CC12CC2 ZINC000527870480 387739497 /nfs/dbraw/zinc/73/94/97/387739497.db2.gz QCZPKBHHLROSLA-VQISRLSMSA-N 1 0 245.341 3.591 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000527871067 262886587 /nfs/dbraw/zinc/88/65/87/262886587.db2.gz GXDBGDRMWPEFIO-BFHYXJOUSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000527871070 262886862 /nfs/dbraw/zinc/88/68/62/262886862.db2.gz GXDBGDRMWPEFIO-MCIONIFRSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000527871073 387743085 /nfs/dbraw/zinc/74/30/85/387743085.db2.gz GXDBGDRMWPEFIO-MGPQQGTHSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000527871076 262886965 /nfs/dbraw/zinc/88/69/65/262886965.db2.gz GXDBGDRMWPEFIO-MJBXVCDLSA-N 1 0 249.398 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527871177 387743780 /nfs/dbraw/zinc/74/37/80/387743780.db2.gz RKHRVLHYERYVJK-BZPMIXESSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527871179 262886634 /nfs/dbraw/zinc/88/66/34/262886634.db2.gz RKHRVLHYERYVJK-DYEKYZERSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527871181 387743682 /nfs/dbraw/zinc/74/36/82/387743682.db2.gz RKHRVLHYERYVJK-MBNYWOFBSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527871182 387742978 /nfs/dbraw/zinc/74/29/78/387742978.db2.gz RKHRVLHYERYVJK-OBJOEFQTSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CC12CC2 ZINC000527871185 387743324 /nfs/dbraw/zinc/74/33/24/387743324.db2.gz RKHRVLHYERYVJK-OUCADQQQSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CC12CC2 ZINC000527871186 387742854 /nfs/dbraw/zinc/74/28/54/387742854.db2.gz RKHRVLHYERYVJK-SCRDCRAPSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527871187 387743795 /nfs/dbraw/zinc/74/37/95/387743795.db2.gz RKHRVLHYERYVJK-SGMGOOAPSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527871189 262886720 /nfs/dbraw/zinc/88/67/20/262886720.db2.gz RKHRVLHYERYVJK-YRGRVCCFSA-N 1 0 215.340 3.526 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)Cc1cccs1 ZINC000527871372 262886740 /nfs/dbraw/zinc/88/67/40/262886740.db2.gz UQFZWNIKHWNJKT-OBJOEFQTSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@H]1CC12CC2 ZINC000527871373 387743816 /nfs/dbraw/zinc/74/38/16/387743816.db2.gz UQFZWNIKHWNJKT-OUCADQQQSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@@H]1CC12CC2 ZINC000527871375 387742610 /nfs/dbraw/zinc/74/26/10/387742610.db2.gz UQFZWNIKHWNJKT-SCRDCRAPSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)Cc1cccs1 ZINC000527871376 387742337 /nfs/dbraw/zinc/74/23/37/387742337.db2.gz UQFZWNIKHWNJKT-SGMGOOAPSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1CC12CC2 ZINC000527871641 387742569 /nfs/dbraw/zinc/74/25/69/387742569.db2.gz UVMQVHAPHBJLMQ-BXUZGUMPSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CC12CC2 ZINC000527871643 262886868 /nfs/dbraw/zinc/88/68/68/262886868.db2.gz UVMQVHAPHBJLMQ-FZMZJTMJSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CC12CC2 ZINC000527871645 387742401 /nfs/dbraw/zinc/74/24/01/387742401.db2.gz UVMQVHAPHBJLMQ-RISCZKNCSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1CC12CC2 ZINC000527871647 262886906 /nfs/dbraw/zinc/88/69/06/262886906.db2.gz UVMQVHAPHBJLMQ-SMDDNHRTSA-N 1 0 241.334 3.711 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)o1 ZINC000527872604 387749550 /nfs/dbraw/zinc/74/95/50/387749550.db2.gz XLFWNCRQCLADCP-CORIIIEPSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)o1 ZINC000527872606 387748093 /nfs/dbraw/zinc/74/80/93/387748093.db2.gz XLFWNCRQCLADCP-LNSITVRQSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)o1 ZINC000527872609 387749027 /nfs/dbraw/zinc/74/90/27/387749027.db2.gz XLFWNCRQCLADCP-NJZAAPMLSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)o1 ZINC000527872610 387748251 /nfs/dbraw/zinc/74/82/51/387748251.db2.gz XLFWNCRQCLADCP-WHOFXGATSA-N 1 0 247.382 3.687 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000527872782 387765436 /nfs/dbraw/zinc/76/54/36/387765436.db2.gz WZWRVGGCBYCDFP-AWEZNQCLSA-N 1 0 217.356 3.540 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000527872783 387765654 /nfs/dbraw/zinc/76/56/54/387765654.db2.gz WZWRVGGCBYCDFP-CQSZACIVSA-N 1 0 217.356 3.540 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)s1 ZINC000527873171 387765603 /nfs/dbraw/zinc/76/56/03/387765603.db2.gz ZLBDRCMCOFKARE-JKOKRWQUSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)s1 ZINC000527873173 387765659 /nfs/dbraw/zinc/76/56/59/387765659.db2.gz ZLBDRCMCOFKARE-SUHUHFCYSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)s1 ZINC000527873175 387765246 /nfs/dbraw/zinc/76/52/46/387765246.db2.gz ZLBDRCMCOFKARE-VHRBIJSZSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)s1 ZINC000527873176 387766253 /nfs/dbraw/zinc/76/62/53/387766253.db2.gz ZLBDRCMCOFKARE-ZKYQVNSYSA-N 1 0 249.423 3.766 20 0 BHADRO Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CCC1)CC2 ZINC000527873433 387765293 /nfs/dbraw/zinc/76/52/93/387765293.db2.gz ZRQZZFDLMRGXJB-CYBMUJFWSA-N 1 0 239.721 3.609 20 0 BHADRO Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CCC1)CC2 ZINC000527873434 387766377 /nfs/dbraw/zinc/76/63/77/387766377.db2.gz ZRQZZFDLMRGXJB-ZDUSSCGKSA-N 1 0 239.721 3.609 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1c(C)noc1C ZINC000527874500 387766214 /nfs/dbraw/zinc/76/62/14/387766214.db2.gz DHKCVLLYKXRRSH-BIMULSAOSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)c1c(C)noc1C ZINC000527874504 387766430 /nfs/dbraw/zinc/76/64/30/387766430.db2.gz DHKCVLLYKXRRSH-ICCXJUOJSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)c1c(C)noc1C ZINC000527874505 387765919 /nfs/dbraw/zinc/76/59/19/387765919.db2.gz DHKCVLLYKXRRSH-WQAKAFBOSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1c(C)noc1C ZINC000527874507 262889082 /nfs/dbraw/zinc/88/90/82/262889082.db2.gz DHKCVLLYKXRRSH-XDTLVQLUSA-N 1 0 248.370 3.521 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CC12CC2 ZINC000527881307 387769186 /nfs/dbraw/zinc/76/91/86/387769186.db2.gz BOEFUSZKRHWFNX-BXUZGUMPSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CC12CC2 ZINC000527881310 262890157 /nfs/dbraw/zinc/89/01/57/262890157.db2.gz BOEFUSZKRHWFNX-FZMZJTMJSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CC12CC2 ZINC000527881313 387771214 /nfs/dbraw/zinc/77/12/14/387771214.db2.gz BOEFUSZKRHWFNX-RISCZKNCSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CC12CC2 ZINC000527881315 387771695 /nfs/dbraw/zinc/77/16/95/387771695.db2.gz BOEFUSZKRHWFNX-SMDDNHRTSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2F)CC1)[C@@H]1CC12CC2 ZINC000527888247 387772939 /nfs/dbraw/zinc/77/29/39/387772939.db2.gz UTAOBVORPJMKBE-AAEUAGOBSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)[C@H]1CC12CC2 ZINC000527888248 387772154 /nfs/dbraw/zinc/77/21/54/387772154.db2.gz UTAOBVORPJMKBE-DGCLKSJQSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2F)CC1)[C@H]1CC12CC2 ZINC000527888249 387772487 /nfs/dbraw/zinc/77/24/87/387772487.db2.gz UTAOBVORPJMKBE-WCQYABFASA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)[C@@H]1CC12CC2 ZINC000527888250 387772649 /nfs/dbraw/zinc/77/26/49/387772649.db2.gz UTAOBVORPJMKBE-YPMHNXCESA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CC12CC2 ZINC000527888322 262890937 /nfs/dbraw/zinc/89/09/37/262890937.db2.gz WDVMQFWNQGSXAP-BXUZGUMPSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CC12CC2 ZINC000527888326 387772213 /nfs/dbraw/zinc/77/22/13/387772213.db2.gz WDVMQFWNQGSXAP-FZMZJTMJSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CC12CC2 ZINC000527888328 387772338 /nfs/dbraw/zinc/77/23/38/387772338.db2.gz WDVMQFWNQGSXAP-RISCZKNCSA-N 1 0 245.341 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CC12CC2 ZINC000527888330 387772781 /nfs/dbraw/zinc/77/27/81/387772781.db2.gz WDVMQFWNQGSXAP-SMDDNHRTSA-N 1 0 245.341 3.593 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H](C)C[C@H](C)O)c1 ZINC000527889103 387773233 /nfs/dbraw/zinc/77/32/33/387773233.db2.gz YPEQKPYXFSDZOL-HZSPNIEDSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000527889104 387772243 /nfs/dbraw/zinc/77/22/43/387772243.db2.gz YPEQKPYXFSDZOL-IHRRRGAJSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000527889105 387772633 /nfs/dbraw/zinc/77/26/33/387772633.db2.gz YPEQKPYXFSDZOL-MELADBBJSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1 ZINC000527889106 387773046 /nfs/dbraw/zinc/77/30/46/387773046.db2.gz YPEQKPYXFSDZOL-RDBSUJKOSA-N 1 0 249.398 3.620 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1CC12CC2 ZINC000527889874 387774988 /nfs/dbraw/zinc/77/49/88/387774988.db2.gz CVOSDPXPWYHHEY-CYZMBNFOSA-N 1 0 247.407 3.904 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CC12CC2 ZINC000527889875 387774503 /nfs/dbraw/zinc/77/45/03/387774503.db2.gz CVOSDPXPWYHHEY-DRZSPHRISA-N 1 0 247.407 3.904 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1CC12CC2 ZINC000527889876 387774580 /nfs/dbraw/zinc/77/45/80/387774580.db2.gz CVOSDPXPWYHHEY-UHTWSYAYSA-N 1 0 247.407 3.904 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CC12CC2 ZINC000527889877 387773863 /nfs/dbraw/zinc/77/38/63/387773863.db2.gz CVOSDPXPWYHHEY-WCFLWFBJSA-N 1 0 247.407 3.904 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000527890099 387774959 /nfs/dbraw/zinc/77/49/59/387774959.db2.gz GEUSLOQWABXXNM-CYBMUJFWSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000527890100 387775070 /nfs/dbraw/zinc/77/50/70/387775070.db2.gz GEUSLOQWABXXNM-ZDUSSCGKSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527890318 262891512 /nfs/dbraw/zinc/89/15/12/262891512.db2.gz APLZCNXJLCDSIA-AXFHLTTASA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527890322 387774895 /nfs/dbraw/zinc/77/48/95/387774895.db2.gz APLZCNXJLCDSIA-DCAQKATOSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527890324 387774156 /nfs/dbraw/zinc/77/41/56/387774156.db2.gz APLZCNXJLCDSIA-MXWKQRLJSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527890326 262891602 /nfs/dbraw/zinc/89/16/02/262891602.db2.gz APLZCNXJLCDSIA-VWYCJHECSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527891814 387774695 /nfs/dbraw/zinc/77/46/95/387774695.db2.gz MQAZNBYJQHRQLB-DZGCQCFKSA-N 1 0 241.378 3.540 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527891970 387774199 /nfs/dbraw/zinc/77/41/99/387774199.db2.gz MQAZNBYJQHRQLB-HIFRSBDPSA-N 1 0 241.378 3.540 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527891977 387774851 /nfs/dbraw/zinc/77/48/51/387774851.db2.gz MQAZNBYJQHRQLB-UKRRQHHQSA-N 1 0 241.378 3.540 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527891980 387774425 /nfs/dbraw/zinc/77/44/25/387774425.db2.gz MQAZNBYJQHRQLB-ZFWWWQNUSA-N 1 0 241.378 3.540 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527892365 262891796 /nfs/dbraw/zinc/89/17/96/262891796.db2.gz GTUMGLJDGHYLDC-CABCVRRESA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527892366 387776917 /nfs/dbraw/zinc/77/69/17/387776917.db2.gz GTUMGLJDGHYLDC-GJZGRUSLSA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527892367 262891895 /nfs/dbraw/zinc/89/18/95/262891895.db2.gz GTUMGLJDGHYLDC-HUUCEWRRSA-N 1 0 235.346 3.662 20 0 BHADRO FCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527892368 387776291 /nfs/dbraw/zinc/77/62/91/387776291.db2.gz GTUMGLJDGHYLDC-LSDHHAIUSA-N 1 0 235.346 3.662 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1CC12CC2 ZINC000527892384 387776085 /nfs/dbraw/zinc/77/60/85/387776085.db2.gz HAAQMKFGZJDEKZ-QJPTWQEYSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@H]1CC12CC2 ZINC000527892385 262892026 /nfs/dbraw/zinc/89/20/26/262892026.db2.gz HAAQMKFGZJDEKZ-SDDRHHMPSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CC12CC2 ZINC000527892386 387776870 /nfs/dbraw/zinc/77/68/70/387776870.db2.gz HAAQMKFGZJDEKZ-SRVKXCTJSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC12CC2 ZINC000527892387 387776442 /nfs/dbraw/zinc/77/64/42/387776442.db2.gz HAAQMKFGZJDEKZ-TUAOUCFPSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CC12CC2 ZINC000527894264 387776671 /nfs/dbraw/zinc/77/66/71/387776671.db2.gz MIPMEVRHRPTQLH-DTZQCDIJSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527894265 387776097 /nfs/dbraw/zinc/77/60/97/387776097.db2.gz MIPMEVRHRPTQLH-MIGQKNRLSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CC12CC2 ZINC000527894266 262892486 /nfs/dbraw/zinc/89/24/86/262892486.db2.gz MIPMEVRHRPTQLH-QCEMKRCNSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527894267 387775458 /nfs/dbraw/zinc/77/54/58/387775458.db2.gz MIPMEVRHRPTQLH-TUUVXOQKSA-N 1 0 241.378 3.711 20 0 BHADRO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000527894352 387776024 /nfs/dbraw/zinc/77/60/24/387776024.db2.gz GXDBGDRMWPEFIO-HZSPNIEDSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000527894353 387776079 /nfs/dbraw/zinc/77/60/79/387776079.db2.gz GXDBGDRMWPEFIO-IHRRRGAJSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000527894355 387776215 /nfs/dbraw/zinc/77/62/15/387776215.db2.gz GXDBGDRMWPEFIO-MELADBBJSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000527894357 387776702 /nfs/dbraw/zinc/77/67/02/387776702.db2.gz GXDBGDRMWPEFIO-RDBSUJKOSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000527895360 387778168 /nfs/dbraw/zinc/77/81/68/387778168.db2.gz BTRDYBUTSHSUKV-BBRMVZONSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000527895365 387777394 /nfs/dbraw/zinc/77/73/94/387777394.db2.gz BTRDYBUTSHSUKV-CJNGLKHVSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000527895366 262892371 /nfs/dbraw/zinc/89/23/71/262892371.db2.gz BTRDYBUTSHSUKV-CZUORRHYSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000527895371 387777551 /nfs/dbraw/zinc/77/75/51/387777551.db2.gz BTRDYBUTSHSUKV-XJKSGUPXSA-N 1 0 247.382 3.640 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC2CC(C)(C)C2)n1 ZINC000527897139 262892933 /nfs/dbraw/zinc/89/29/33/262892933.db2.gz ZZKFGZBRMWRMKS-JTQLQIEISA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC2CC(C)(C)C2)n1 ZINC000527897141 262892822 /nfs/dbraw/zinc/89/28/22/262892822.db2.gz ZZKFGZBRMWRMKS-SNVBAGLBSA-N 1 0 238.400 3.538 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527897995 387778322 /nfs/dbraw/zinc/77/83/22/387778322.db2.gz BUOJNGWQSPWKKI-BBRMVZONSA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527897996 387778426 /nfs/dbraw/zinc/77/84/26/387778426.db2.gz BUOJNGWQSPWKKI-CJNGLKHVSA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC23CC3)cc1 ZINC000527897997 387778493 /nfs/dbraw/zinc/77/84/93/387778493.db2.gz BUOJNGWQSPWKKI-CZUORRHYSA-N 1 0 241.378 3.650 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527897998 387777933 /nfs/dbraw/zinc/77/79/33/387777933.db2.gz BUOJNGWQSPWKKI-XJKSGUPXSA-N 1 0 241.378 3.650 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)[C@H]1CC12CC2 ZINC000527898149 387778513 /nfs/dbraw/zinc/77/85/13/387778513.db2.gz VAFVKFTZJJFFAM-GXTWGEPZSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)[C@@H]1CC12CC2 ZINC000527898151 387777657 /nfs/dbraw/zinc/77/76/57/387777657.db2.gz VAFVKFTZJJFFAM-JSGCOSHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)[C@@H]1CC12CC2 ZINC000527898152 387777370 /nfs/dbraw/zinc/77/73/70/387777370.db2.gz VAFVKFTZJJFFAM-OCCSQVGLSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)[C@H]1CC12CC2 ZINC000527898154 387777208 /nfs/dbraw/zinc/77/72/08/387777208.db2.gz VAFVKFTZJJFFAM-TZMCWYRMSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527900548 387779718 /nfs/dbraw/zinc/77/97/18/387779718.db2.gz HKYPVFHWBQUEMN-DMRZNYOFSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527900554 387780171 /nfs/dbraw/zinc/78/01/71/387780171.db2.gz HKYPVFHWBQUEMN-DRPJVOAASA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527900559 262893183 /nfs/dbraw/zinc/89/31/83/262893183.db2.gz HKYPVFHWBQUEMN-QCEMKRCNSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527900564 387779284 /nfs/dbraw/zinc/77/92/84/387779284.db2.gz HKYPVFHWBQUEMN-SYAUCNOPSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC12CC2 ZINC000527900689 387779009 /nfs/dbraw/zinc/77/90/09/387779009.db2.gz QCWQBQWOLLLOPG-CMPLNLGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC12CC2 ZINC000527900693 387779493 /nfs/dbraw/zinc/77/94/93/387779493.db2.gz QCWQBQWOLLLOPG-JQWIXIFHSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC12CC2 ZINC000527900697 262893349 /nfs/dbraw/zinc/89/33/49/262893349.db2.gz QCWQBQWOLLLOPG-PWSUYJOCSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CC12CC2 ZINC000527900989 387778843 /nfs/dbraw/zinc/77/88/43/387778843.db2.gz QCWQBQWOLLLOPG-ZYHUDNBSSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527901124 387779867 /nfs/dbraw/zinc/77/98/67/387779867.db2.gz JTBHPAYDRUDGOQ-OEAJRASXSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527901132 262893303 /nfs/dbraw/zinc/89/33/03/262893303.db2.gz JTBHPAYDRUDGOQ-QCEMKRCNSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527901135 387780248 /nfs/dbraw/zinc/78/02/48/387780248.db2.gz JTBHPAYDRUDGOQ-SYAUCNOPSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527901139 387779018 /nfs/dbraw/zinc/77/90/18/387779018.db2.gz JTBHPAYDRUDGOQ-TUUVXOQKSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H]1CC12CC2 ZINC000527901322 387779291 /nfs/dbraw/zinc/77/92/91/387779291.db2.gz FTNKRGPYUPSXGY-QJPTWQEYSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1CC12CC2 ZINC000527901327 387779814 /nfs/dbraw/zinc/77/98/14/387779814.db2.gz FTNKRGPYUPSXGY-SDDRHHMPSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CC12CC2 ZINC000527901331 387779276 /nfs/dbraw/zinc/77/92/76/387779276.db2.gz FTNKRGPYUPSXGY-SRVKXCTJSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CC12CC2 ZINC000527901336 387780482 /nfs/dbraw/zinc/78/04/82/387780482.db2.gz FTNKRGPYUPSXGY-TUAOUCFPSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(C(C)C)c1)[C@@H](C)O ZINC000527901465 387778918 /nfs/dbraw/zinc/77/89/18/387778918.db2.gz CKBCDOFNMWMMTB-IOASZLSFSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(C(C)C)c1)[C@H](C)O ZINC000527901809 262893391 /nfs/dbraw/zinc/89/33/91/262893391.db2.gz CKBCDOFNMWMMTB-WWGRRREGSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(C(C)C)c1)[C@H](C)O ZINC000527901813 387780491 /nfs/dbraw/zinc/78/04/91/387780491.db2.gz CKBCDOFNMWMMTB-XEZPLFJOSA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(C(C)C)c1)[C@@H](C)O ZINC000527901816 387779335 /nfs/dbraw/zinc/77/93/35/387779335.db2.gz CKBCDOFNMWMMTB-ZENOOKHLSA-N 1 0 249.398 3.620 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H]1CC12CC2 ZINC000527903126 323712971 /nfs/dbraw/zinc/71/29/71/323712971.db2.gz QOCCVOURJGXIKJ-IKWCTNDRSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H]1CC12CC2 ZINC000527903129 387760970 /nfs/dbraw/zinc/76/09/70/387760970.db2.gz QOCCVOURJGXIKJ-WTIISPKJSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H]1CC12CC2 ZINC000527903130 387760418 /nfs/dbraw/zinc/76/04/18/387760418.db2.gz QOCCVOURJGXIKJ-XVSSEFHLSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H]1CC12CC2 ZINC000527903133 323713171 /nfs/dbraw/zinc/71/31/71/323713171.db2.gz QOCCVOURJGXIKJ-YWPUVAFDSA-N 1 0 221.388 3.589 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC12CC2 ZINC000527903290 323712966 /nfs/dbraw/zinc/71/29/66/323712966.db2.gz YSDDPPGBDYCURY-BXUZGUMPSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC12CC2 ZINC000527903292 387759141 /nfs/dbraw/zinc/75/91/41/387759141.db2.gz YSDDPPGBDYCURY-FZMZJTMJSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC12CC2 ZINC000527903294 387760112 /nfs/dbraw/zinc/76/01/12/387760112.db2.gz YSDDPPGBDYCURY-RISCZKNCSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC12CC2 ZINC000527903296 387761001 /nfs/dbraw/zinc/76/10/01/387761001.db2.gz YSDDPPGBDYCURY-SMDDNHRTSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CC12CC2 ZINC000527903738 387760993 /nfs/dbraw/zinc/76/09/93/387760993.db2.gz SGLJQEDLYWCEHX-AAEUAGOBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CC12CC2 ZINC000527903741 387759166 /nfs/dbraw/zinc/75/91/66/387759166.db2.gz SGLJQEDLYWCEHX-DGCLKSJQSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CC12CC2 ZINC000527903743 323714194 /nfs/dbraw/zinc/71/41/94/323714194.db2.gz SGLJQEDLYWCEHX-WCQYABFASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CC12CC2 ZINC000527903746 387761005 /nfs/dbraw/zinc/76/10/05/387761005.db2.gz SGLJQEDLYWCEHX-YPMHNXCESA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CC12CC2 ZINC000527905421 387762580 /nfs/dbraw/zinc/76/25/80/387762580.db2.gz PJBCDKNRJYKZDP-AAEUAGOBSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CC12CC2 ZINC000527905422 323714719 /nfs/dbraw/zinc/71/47/19/323714719.db2.gz PJBCDKNRJYKZDP-DGCLKSJQSA-N 1 0 221.388 3.591 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CC12CC2 ZINC000527905423 323714683 /nfs/dbraw/zinc/71/46/83/323714683.db2.gz PJBCDKNRJYKZDP-WCQYABFASA-N 1 0 221.388 3.591 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CC12CC2 ZINC000527905424 323715046 /nfs/dbraw/zinc/71/50/46/323715046.db2.gz PJBCDKNRJYKZDP-YPMHNXCESA-N 1 0 221.388 3.591 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527906767 387761858 /nfs/dbraw/zinc/76/18/58/387761858.db2.gz BEYHONWPELYYAU-AEGPPILISA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527906768 387762275 /nfs/dbraw/zinc/76/22/75/387762275.db2.gz BEYHONWPELYYAU-BPLDGKMQSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527906769 387762227 /nfs/dbraw/zinc/76/22/27/387762227.db2.gz BEYHONWPELYYAU-CFVMTHIKSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527906770 323716620 /nfs/dbraw/zinc/71/66/20/323716620.db2.gz BEYHONWPELYYAU-NWANDNLSSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527906771 323717135 /nfs/dbraw/zinc/71/71/35/323717135.db2.gz BEYHONWPELYYAU-QEJZJMRPSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527906772 323716955 /nfs/dbraw/zinc/71/69/55/323716955.db2.gz BEYHONWPELYYAU-SNPRPXQTSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@@H]1CC12CC2)c1ccccc1 ZINC000527906773 387762144 /nfs/dbraw/zinc/76/21/44/387762144.db2.gz BEYHONWPELYYAU-VHDGCEQUSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)c1ccccc1 ZINC000527906774 323717167 /nfs/dbraw/zinc/71/71/67/323717167.db2.gz BEYHONWPELYYAU-YUELXQCFSA-N 1 0 229.367 3.916 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000527909205 387764318 /nfs/dbraw/zinc/76/43/18/387764318.db2.gz IHNGKLXVNQYKPB-DVOMOZLQSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000527909208 387764939 /nfs/dbraw/zinc/76/49/39/387764939.db2.gz IHNGKLXVNQYKPB-IOASZLSFSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000527909211 323719253 /nfs/dbraw/zinc/71/92/53/323719253.db2.gz IHNGKLXVNQYKPB-WWGRRREGSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000527909214 387764040 /nfs/dbraw/zinc/76/40/40/387764040.db2.gz IHNGKLXVNQYKPB-XJKCOSOUSA-N 1 0 247.382 3.638 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527910943 323720205 /nfs/dbraw/zinc/72/02/05/323720205.db2.gz OZKQBIFEMPWXTH-BEAPCOKYSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CC12CC2 ZINC000527910944 387763668 /nfs/dbraw/zinc/76/36/68/387763668.db2.gz OZKQBIFEMPWXTH-FAAHXZRKSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527910945 323719927 /nfs/dbraw/zinc/71/99/27/323719927.db2.gz OZKQBIFEMPWXTH-MHEUCROKSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CC12CC2 ZINC000527910946 323720116 /nfs/dbraw/zinc/72/01/16/323720116.db2.gz OZKQBIFEMPWXTH-SPWCGHHHSA-N 1 0 233.399 3.733 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527912126 323719838 /nfs/dbraw/zinc/71/98/38/323719838.db2.gz ICCHQAIJXMNCRS-GRYCIOLGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527912133 387764650 /nfs/dbraw/zinc/76/46/50/387764650.db2.gz ICCHQAIJXMNCRS-IJLUTSLNSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527912138 323720290 /nfs/dbraw/zinc/72/02/90/323720290.db2.gz ICCHQAIJXMNCRS-UTUOFQBUSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527912145 387765090 /nfs/dbraw/zinc/76/50/90/387765090.db2.gz ICCHQAIJXMNCRS-WOPDTQHZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000527914398 387786451 /nfs/dbraw/zinc/78/64/51/387786451.db2.gz BJUBZCSDMQMSEZ-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000527914402 387786877 /nfs/dbraw/zinc/78/68/77/387786877.db2.gz BJUBZCSDMQMSEZ-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ccccn1 ZINC000527914406 387786933 /nfs/dbraw/zinc/78/69/33/387786933.db2.gz BJUBZCSDMQMSEZ-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ccccn1 ZINC000527914410 387785704 /nfs/dbraw/zinc/78/57/04/387785704.db2.gz BJUBZCSDMQMSEZ-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ccncc1 ZINC000527915964 262894130 /nfs/dbraw/zinc/89/41/30/262894130.db2.gz IEHRVJAZTGQPNP-DZGCQCFKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000527915965 387786098 /nfs/dbraw/zinc/78/60/98/387786098.db2.gz IEHRVJAZTGQPNP-HIFRSBDPSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ccncc1 ZINC000527915967 387786717 /nfs/dbraw/zinc/78/67/17/387786717.db2.gz IEHRVJAZTGQPNP-UKRRQHHQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000527915970 387787002 /nfs/dbraw/zinc/78/70/02/387787002.db2.gz IEHRVJAZTGQPNP-ZFWWWQNUSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)c1cccnc1 ZINC000527916787 387787514 /nfs/dbraw/zinc/78/75/14/387787514.db2.gz KGKGZQCMKQLQBK-DZGCQCFKSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000527916788 387788115 /nfs/dbraw/zinc/78/81/15/387788115.db2.gz KGKGZQCMKQLQBK-HIFRSBDPSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)c1cccnc1 ZINC000527916789 262894360 /nfs/dbraw/zinc/89/43/60/262894360.db2.gz KGKGZQCMKQLQBK-UKRRQHHQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000527916791 387787686 /nfs/dbraw/zinc/78/76/86/387787686.db2.gz KGKGZQCMKQLQBK-ZFWWWQNUSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CC12CC2 ZINC000527917766 387788246 /nfs/dbraw/zinc/78/82/46/387788246.db2.gz UDNNDAWJIGNTHW-HBIQZDMRSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CC12CC2 ZINC000527917767 387787776 /nfs/dbraw/zinc/78/77/76/387787776.db2.gz UDNNDAWJIGNTHW-WNYYMSAVSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CC12CC2 ZINC000527917769 387787977 /nfs/dbraw/zinc/78/79/77/387787977.db2.gz UDNNDAWJIGNTHW-XKGSQUFQSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CC12CC2 ZINC000527917772 387788546 /nfs/dbraw/zinc/78/85/46/387788546.db2.gz UDNNDAWJIGNTHW-YYJSSNLHSA-N 1 0 243.341 3.589 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]1CCCC1(C)C ZINC000527918897 387787844 /nfs/dbraw/zinc/78/78/44/387787844.db2.gz OXBWIIUZOIBGAE-AAEUAGOBSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@H]1CCCC1(C)C ZINC000527918898 387787778 /nfs/dbraw/zinc/78/77/78/387787778.db2.gz OXBWIIUZOIBGAE-DGCLKSJQSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@H]1CCCC1(C)C ZINC000527918899 387787837 /nfs/dbraw/zinc/78/78/37/387787837.db2.gz OXBWIIUZOIBGAE-WCQYABFASA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC1(C)C ZINC000527918900 387787954 /nfs/dbraw/zinc/78/79/54/387787954.db2.gz OXBWIIUZOIBGAE-YPMHNXCESA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccncc1 ZINC000527919114 262894559 /nfs/dbraw/zinc/89/45/59/262894559.db2.gz ARFGVNFQVPJXAN-BVUBDWEXSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccncc1 ZINC000527919117 387787973 /nfs/dbraw/zinc/78/79/73/387787973.db2.gz ARFGVNFQVPJXAN-OJLVUWQFSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1 ZINC000527924476 387791336 /nfs/dbraw/zinc/79/13/36/387791336.db2.gz FUXABXWSENJDFG-GDBMZVCRSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1 ZINC000527924477 387791286 /nfs/dbraw/zinc/79/12/86/387791286.db2.gz FUXABXWSENJDFG-GOEBONIOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1 ZINC000527924479 323730725 /nfs/dbraw/zinc/73/07/25/323730725.db2.gz FUXABXWSENJDFG-HOCLYGCPSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1 ZINC000527924480 323730429 /nfs/dbraw/zinc/73/04/29/323730429.db2.gz FUXABXWSENJDFG-ZBFHGGJFSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CCC12CCCC2)OCC ZINC000527927641 262895723 /nfs/dbraw/zinc/89/57/23/262895723.db2.gz CSWBOHYIFXKGRG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCC12CCCC2)OCC ZINC000527927644 387793378 /nfs/dbraw/zinc/79/33/78/387793378.db2.gz CSWBOHYIFXKGRG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CCC12CCCC2)OCC ZINC000527927648 387793431 /nfs/dbraw/zinc/79/34/31/387793431.db2.gz CSWBOHYIFXKGRG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCC12CCCC2)OCC ZINC000527927651 387792837 /nfs/dbraw/zinc/79/28/37/387792837.db2.gz CSWBOHYIFXKGRG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO COCCC1CC[NH+]([C@H](C)CC(C)(C)C)CC1 ZINC000527932438 387795018 /nfs/dbraw/zinc/79/50/18/387795018.db2.gz CIQLRUVBEJDPOQ-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO COCCC1CC[NH+]([C@@H](C)CC(C)(C)C)CC1 ZINC000527932441 262896657 /nfs/dbraw/zinc/89/66/57/262896657.db2.gz CIQLRUVBEJDPOQ-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO COCCC1CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC000527936247 387796692 /nfs/dbraw/zinc/79/66/92/387796692.db2.gz PNDXKCWJMFTMFM-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO COCCC1CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC000527936249 387796488 /nfs/dbraw/zinc/79/64/88/387796488.db2.gz PNDXKCWJMFTMFM-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@@H](C[NH2+][C@H]1CCCC12CCC2)OCC ZINC000527936438 262896940 /nfs/dbraw/zinc/89/69/40/262896940.db2.gz YHIQNJRIUBJTAJ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@H]1CCCC12CCC2)OCC ZINC000527936439 387795876 /nfs/dbraw/zinc/79/58/76/387795876.db2.gz YHIQNJRIUBJTAJ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H]1CCCC12CCC2)OCC ZINC000527936441 262897089 /nfs/dbraw/zinc/89/70/89/262897089.db2.gz YHIQNJRIUBJTAJ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C[NH2+][C@@H]1CCCC12CCC2)OCC ZINC000527936442 262896975 /nfs/dbraw/zinc/89/69/75/262896975.db2.gz YHIQNJRIUBJTAJ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000527941994 323722140 /nfs/dbraw/zinc/72/21/40/323722140.db2.gz AHPZOWMIBDMMFN-CABCVRRESA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000527941996 387782045 /nfs/dbraw/zinc/78/20/45/387782045.db2.gz AHPZOWMIBDMMFN-GJZGRUSLSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000527941997 323721733 /nfs/dbraw/zinc/72/17/33/323721733.db2.gz AHPZOWMIBDMMFN-HUUCEWRRSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000527941999 323721844 /nfs/dbraw/zinc/72/18/44/323721844.db2.gz AHPZOWMIBDMMFN-LSDHHAIUSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1cc(F)cc(F)c1 ZINC000527942164 387782268 /nfs/dbraw/zinc/78/22/68/387782268.db2.gz CIVZZHACSSYNIE-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1cc(F)cc(F)c1 ZINC000527942166 387782387 /nfs/dbraw/zinc/78/23/87/387782387.db2.gz CIVZZHACSSYNIE-SNVBAGLBSA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CC1CC=CC1 ZINC000527942798 387780731 /nfs/dbraw/zinc/78/07/31/387780731.db2.gz FTUQCKSPYLNAIN-AWEZNQCLSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CC1CC=CC1 ZINC000527942799 387780977 /nfs/dbraw/zinc/78/09/77/387780977.db2.gz FTUQCKSPYLNAIN-CQSZACIVSA-N 1 0 229.367 3.564 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CC1CC=CC1 ZINC000527943819 323721650 /nfs/dbraw/zinc/72/16/50/323721650.db2.gz LIIZAFFREARJEH-CYBMUJFWSA-N 1 0 235.396 3.625 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CC1CC=CC1 ZINC000527943821 387782019 /nfs/dbraw/zinc/78/20/19/387782019.db2.gz LIIZAFFREARJEH-ZDUSSCGKSA-N 1 0 235.396 3.625 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000527943875 323722098 /nfs/dbraw/zinc/72/20/98/323722098.db2.gz MTUFNOXIQCTCJC-CYBMUJFWSA-N 1 0 245.366 3.620 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000527943878 387780832 /nfs/dbraw/zinc/78/08/32/387780832.db2.gz MTUFNOXIQCTCJC-ZDUSSCGKSA-N 1 0 245.366 3.620 20 0 BHADRO Fc1ccc(C2CC([NH2+]CC3CC=CC3)C2)cc1 ZINC000527943914 387781919 /nfs/dbraw/zinc/78/19/19/387781919.db2.gz APSOMVTYIAURNY-UHFFFAOYSA-N 1 0 245.341 3.628 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000527944267 323722554 /nfs/dbraw/zinc/72/25/54/323722554.db2.gz PPWOIGLYLZBWIZ-FESTWEEDSA-N 1 0 249.785 3.612 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000527944268 387781390 /nfs/dbraw/zinc/78/13/90/387781390.db2.gz PPWOIGLYLZBWIZ-ISGRIPCHSA-N 1 0 249.785 3.612 20 0 BHADRO Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC1CC=CC1 ZINC000527944633 387780994 /nfs/dbraw/zinc/78/09/94/387780994.db2.gz OHPRRMFXWSFUTQ-AWEZNQCLSA-N 1 0 249.304 3.508 20 0 BHADRO Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC1CC=CC1 ZINC000527944636 387782120 /nfs/dbraw/zinc/78/21/20/387782120.db2.gz OHPRRMFXWSFUTQ-CQSZACIVSA-N 1 0 249.304 3.508 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000527944792 323723294 /nfs/dbraw/zinc/72/32/94/323723294.db2.gz QELPBVOWFRVUIQ-CYBMUJFWSA-N 1 0 233.380 3.681 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000527944798 387781498 /nfs/dbraw/zinc/78/14/98/387781498.db2.gz QELPBVOWFRVUIQ-ZDUSSCGKSA-N 1 0 233.380 3.681 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000527944891 387781506 /nfs/dbraw/zinc/78/15/06/387781506.db2.gz DNOYKHDAQCXORT-CABCVRRESA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000527944893 387782094 /nfs/dbraw/zinc/78/20/94/387782094.db2.gz DNOYKHDAQCXORT-GJZGRUSLSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000527944894 387780986 /nfs/dbraw/zinc/78/09/86/387780986.db2.gz DNOYKHDAQCXORT-HUUCEWRRSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000527944896 323723255 /nfs/dbraw/zinc/72/32/55/323723255.db2.gz DNOYKHDAQCXORT-LSDHHAIUSA-N 1 0 219.372 3.511 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1cccc(OC)c1 ZINC000527945413 387781128 /nfs/dbraw/zinc/78/11/28/387781128.db2.gz QXIAZJZZMKYAOB-INIZCTEOSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1cccc(OC)c1 ZINC000527945414 323722941 /nfs/dbraw/zinc/72/29/41/323722941.db2.gz QXIAZJZZMKYAOB-MRXNPFEDSA-N 1 0 245.366 3.702 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000527946379 323724240 /nfs/dbraw/zinc/72/42/40/323724240.db2.gz VKEHCNBGGIPBGG-LLVKDONJSA-N 1 0 221.369 3.673 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000527946382 323723688 /nfs/dbraw/zinc/72/36/88/323723688.db2.gz VKEHCNBGGIPBGG-NSHDSACASA-N 1 0 221.369 3.673 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccsc1 ZINC000527946516 323723665 /nfs/dbraw/zinc/72/36/65/323723665.db2.gz HGLKATOGJXBQGR-CYBMUJFWSA-N 1 0 221.369 3.755 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1ccsc1 ZINC000527946518 387783438 /nfs/dbraw/zinc/78/34/38/387783438.db2.gz HGLKATOGJXBQGR-ZDUSSCGKSA-N 1 0 221.369 3.755 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC3CC=CC3)C2)cc1 ZINC000527947634 387783344 /nfs/dbraw/zinc/78/33/44/387783344.db2.gz JQWCSWXWFYYRPP-UHFFFAOYSA-N 1 0 241.378 3.797 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000527947796 387783713 /nfs/dbraw/zinc/78/37/13/387783713.db2.gz KQTWQCZUPDXVFV-FPMFFAJLSA-N 1 0 247.407 3.796 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000527947798 387783488 /nfs/dbraw/zinc/78/34/88/387783488.db2.gz KQTWQCZUPDXVFV-KWCYVHTRSA-N 1 0 247.407 3.796 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CC1CC=CC1 ZINC000527950498 323726316 /nfs/dbraw/zinc/72/63/16/323726316.db2.gz OSBWTWKOIRZUJB-GFCCVEGCSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CC1CC=CC1 ZINC000527950500 387783449 /nfs/dbraw/zinc/78/34/49/387783449.db2.gz OSBWTWKOIRZUJB-LBPRGKRZSA-N 1 0 235.396 3.625 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CC2CC=CC2)C[C@H]1c1ccccc1 ZINC000527950528 323725876 /nfs/dbraw/zinc/72/58/76/323725876.db2.gz OYWIXRWZGFFXOD-IAOVAPTHSA-N 1 0 241.378 3.734 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]CC2CC=CC2)C[C@@H]1c1ccccc1 ZINC000527950575 387782826 /nfs/dbraw/zinc/78/28/26/387782826.db2.gz OYWIXRWZGFFXOD-JQFCIGGWSA-N 1 0 241.378 3.734 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CC2CC=CC2)C[C@@H]1c1ccccc1 ZINC000527950579 387783005 /nfs/dbraw/zinc/78/30/05/387783005.db2.gz OYWIXRWZGFFXOD-RRQGHBQHSA-N 1 0 241.378 3.734 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527950585 387782961 /nfs/dbraw/zinc/78/29/61/387782961.db2.gz OYWIXRWZGFFXOD-XKQJLSEDSA-N 1 0 241.378 3.734 20 0 BHADRO C1=CCC(C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000527951682 387783185 /nfs/dbraw/zinc/78/31/85/387783185.db2.gz RLLKJUVWNYSPKN-HNNXBMFYSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000527951684 387783864 /nfs/dbraw/zinc/78/38/64/387783864.db2.gz RLLKJUVWNYSPKN-OAHLLOKOSA-N 1 0 219.372 3.511 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC=CC2)cs1 ZINC000527952276 323727302 /nfs/dbraw/zinc/72/73/02/323727302.db2.gz SUXSYNYYVVPALM-LLVKDONJSA-N 1 0 221.369 3.673 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC=CC2)cs1 ZINC000527952277 387783742 /nfs/dbraw/zinc/78/37/42/387783742.db2.gz SUXSYNYYVVPALM-NSHDSACASA-N 1 0 221.369 3.673 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000527952291 387782757 /nfs/dbraw/zinc/78/27/57/387782757.db2.gz TUTVKOIMZNVFMZ-COXVUDFISA-N 1 0 241.378 3.734 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000527952293 387783353 /nfs/dbraw/zinc/78/33/53/387783353.db2.gz TUTVKOIMZNVFMZ-JQFCIGGWSA-N 1 0 241.378 3.734 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2CC=CC2)c(C)c1 ZINC000527952418 323726998 /nfs/dbraw/zinc/72/69/98/323726998.db2.gz VFGYHBOYFUWHOY-CYBMUJFWSA-N 1 0 245.366 3.620 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2CC=CC2)c(C)c1 ZINC000527952993 387783137 /nfs/dbraw/zinc/78/31/37/387783137.db2.gz VFGYHBOYFUWHOY-ZDUSSCGKSA-N 1 0 245.366 3.620 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000527953040 387784412 /nfs/dbraw/zinc/78/44/12/387784412.db2.gz WHXVDQBHBSBWAV-AWEZNQCLSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000527953042 387784947 /nfs/dbraw/zinc/78/49/47/387784947.db2.gz WHXVDQBHBSBWAV-CQSZACIVSA-N 1 0 219.372 3.655 20 0 BHADRO Fc1cccc(C2CC([NH2+]CC3CC=CC3)C2)c1 ZINC000527953111 323727778 /nfs/dbraw/zinc/72/77/78/323727778.db2.gz WXMVRLFQKWJDQB-UHFFFAOYSA-N 1 0 245.341 3.628 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC2CC=CC2)C1 ZINC000527953116 323728242 /nfs/dbraw/zinc/72/82/42/323728242.db2.gz XANDXKNAVLBSLY-UHFFFAOYSA-N 1 0 241.378 3.797 20 0 BHADRO C1=CCC(C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000527953754 387784290 /nfs/dbraw/zinc/78/42/90/387784290.db2.gz XWTSLCDGQQWCIB-UHFFFAOYSA-N 1 0 219.372 3.511 20 0 BHADRO Fc1ccccc1C1CC([NH2+]CC2CC=CC2)C1 ZINC000527953857 387785310 /nfs/dbraw/zinc/78/53/10/387785310.db2.gz YKSXGLTUGQADRP-UHFFFAOYSA-N 1 0 245.341 3.628 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC=CC2)oc1C ZINC000527954027 387784353 /nfs/dbraw/zinc/78/43/53/387784353.db2.gz ZFSCORSEJGYJIX-LLVKDONJSA-N 1 0 219.328 3.513 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC=CC2)oc1C ZINC000527954031 323727770 /nfs/dbraw/zinc/72/77/70/323727770.db2.gz ZFSCORSEJGYJIX-NSHDSACASA-N 1 0 219.328 3.513 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)[C@@H]1C ZINC000527961028 387810258 /nfs/dbraw/zinc/81/02/58/387810258.db2.gz ARKZUHZHWYVAEY-AVRGHOLYSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)[C@H]1C ZINC000527961031 262900391 /nfs/dbraw/zinc/90/03/91/262900391.db2.gz ARKZUHZHWYVAEY-GUYJKWIASA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)[C@H]1C ZINC000527961032 387809674 /nfs/dbraw/zinc/80/96/74/387809674.db2.gz ARKZUHZHWYVAEY-KNPMLCFXSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)[C@@H]1C ZINC000527961035 387809680 /nfs/dbraw/zinc/80/96/80/387809680.db2.gz ARKZUHZHWYVAEY-MPTQWLOMSA-N 1 0 244.382 3.557 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527961078 387810345 /nfs/dbraw/zinc/81/03/45/387810345.db2.gz AVFZBBCHGQIWRB-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527961087 387809955 /nfs/dbraw/zinc/80/99/55/387809955.db2.gz AVFZBBCHGQIWRB-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527961091 387810051 /nfs/dbraw/zinc/81/00/51/387810051.db2.gz AVFZBBCHGQIWRB-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527961097 387809438 /nfs/dbraw/zinc/80/94/38/387809438.db2.gz AVFZBBCHGQIWRB-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CC1 ZINC000527961870 387809693 /nfs/dbraw/zinc/80/96/93/387809693.db2.gz BNIRKALQDOIIMA-GDBMZVCRSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CC1 ZINC000527961871 387810367 /nfs/dbraw/zinc/81/03/67/387810367.db2.gz BNIRKALQDOIIMA-GOEBONIOSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CC1 ZINC000527961872 387809114 /nfs/dbraw/zinc/80/91/14/387809114.db2.gz BNIRKALQDOIIMA-HOCLYGCPSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CC1 ZINC000527961873 387809296 /nfs/dbraw/zinc/80/92/96/387809296.db2.gz BNIRKALQDOIIMA-ZBFHGGJFSA-N 1 0 244.382 3.701 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CCCCC2)C2CCC2)nc1 ZINC000527961886 387809769 /nfs/dbraw/zinc/80/97/69/387809769.db2.gz BPMCGQFYPAUFIT-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1ccc([C@H]([NH2+]C2CCCCC2)C2CCC2)nc1 ZINC000527961887 387809340 /nfs/dbraw/zinc/80/93/40/387809340.db2.gz BPMCGQFYPAUFIT-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527963007 262900384 /nfs/dbraw/zinc/90/03/84/262900384.db2.gz FDKWFPYPRNIPNH-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527963008 262900124 /nfs/dbraw/zinc/90/01/24/262900124.db2.gz FDKWFPYPRNIPNH-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527963010 262900123 /nfs/dbraw/zinc/90/01/23/262900123.db2.gz FDKWFPYPRNIPNH-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527963011 387811221 /nfs/dbraw/zinc/81/12/21/387811221.db2.gz FDKWFPYPRNIPNH-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527963165 262900399 /nfs/dbraw/zinc/90/03/99/262900399.db2.gz GKDITOKJOUTBTH-BBRMVZONSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527963167 262900459 /nfs/dbraw/zinc/90/04/59/262900459.db2.gz GKDITOKJOUTBTH-CJNGLKHVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527963170 262900458 /nfs/dbraw/zinc/90/04/58/262900458.db2.gz GKDITOKJOUTBTH-CZUORRHYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527963171 262900242 /nfs/dbraw/zinc/90/02/42/262900242.db2.gz GKDITOKJOUTBTH-XJKSGUPXSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527964027 262900204 /nfs/dbraw/zinc/90/02/04/262900204.db2.gz HKUDRFCWTHZCTL-HEHGZKQESA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527964031 387811433 /nfs/dbraw/zinc/81/14/33/387811433.db2.gz HKUDRFCWTHZCTL-WOSRLPQWSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527964034 387811639 /nfs/dbraw/zinc/81/16/39/387811639.db2.gz HKUDRFCWTHZCTL-XEZPLFJOSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527964037 387811137 /nfs/dbraw/zinc/81/11/37/387811137.db2.gz HKUDRFCWTHZCTL-ZENOOKHLSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527964526 262900448 /nfs/dbraw/zinc/90/04/48/262900448.db2.gz LGCUNFCKTZGICL-INWMFGNUSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527964528 387811403 /nfs/dbraw/zinc/81/14/03/387811403.db2.gz LGCUNFCKTZGICL-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527964531 387811209 /nfs/dbraw/zinc/81/12/09/387811209.db2.gz LGCUNFCKTZGICL-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527964534 387811065 /nfs/dbraw/zinc/81/10/65/387811065.db2.gz LGCUNFCKTZGICL-XPKDYRNWSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527967903 387811762 /nfs/dbraw/zinc/81/17/62/387811762.db2.gz NNSYMJNNHFUALL-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527967905 387811130 /nfs/dbraw/zinc/81/11/30/387811130.db2.gz NNSYMJNNHFUALL-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527967907 387811546 /nfs/dbraw/zinc/81/15/46/387811546.db2.gz NNSYMJNNHFUALL-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527967910 387811254 /nfs/dbraw/zinc/81/12/54/387811254.db2.gz NNSYMJNNHFUALL-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000527969440 262900817 /nfs/dbraw/zinc/90/08/17/262900817.db2.gz QUFFLOIBEXOCDP-INWMFGNUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000527969442 387810980 /nfs/dbraw/zinc/81/09/80/387810980.db2.gz QUFFLOIBEXOCDP-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000527969444 387812001 /nfs/dbraw/zinc/81/20/01/387812001.db2.gz QUFFLOIBEXOCDP-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000527969446 387811207 /nfs/dbraw/zinc/81/12/07/387811207.db2.gz QUFFLOIBEXOCDP-XPKDYRNWSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000527970155 387814275 /nfs/dbraw/zinc/81/42/75/387814275.db2.gz VXONMJDNHGSJLV-HNNXBMFYSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000527970156 387813139 /nfs/dbraw/zinc/81/31/39/387813139.db2.gz VXONMJDNHGSJLV-OAHLLOKOSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527971021 262900808 /nfs/dbraw/zinc/90/08/08/262900808.db2.gz UMXPHEFMQSSMBV-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527971023 387814467 /nfs/dbraw/zinc/81/44/67/387814467.db2.gz UMXPHEFMQSSMBV-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527971025 262900764 /nfs/dbraw/zinc/90/07/64/262900764.db2.gz UMXPHEFMQSSMBV-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527971027 387813685 /nfs/dbraw/zinc/81/36/85/387813685.db2.gz UMXPHEFMQSSMBV-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527971929 387814519 /nfs/dbraw/zinc/81/45/19/387814519.db2.gz YYYZLJQWBJLADV-INWMFGNUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527971930 387813655 /nfs/dbraw/zinc/81/36/55/387813655.db2.gz YYYZLJQWBJLADV-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527971933 387813383 /nfs/dbraw/zinc/81/33/83/387813383.db2.gz YYYZLJQWBJLADV-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527971934 387814139 /nfs/dbraw/zinc/81/41/39/387814139.db2.gz YYYZLJQWBJLADV-XPKDYRNWSA-N 1 0 244.382 3.701 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000527975865 387815322 /nfs/dbraw/zinc/81/53/22/387815322.db2.gz AQHMHHSAWQZLHD-KBPBESRZSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000527975866 323738321 /nfs/dbraw/zinc/73/83/21/323738321.db2.gz AQHMHHSAWQZLHD-KGLIPLIRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000527975867 323738205 /nfs/dbraw/zinc/73/82/05/323738205.db2.gz AQHMHHSAWQZLHD-UONOGXRCSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000527975868 323738139 /nfs/dbraw/zinc/73/81/39/323738139.db2.gz AQHMHHSAWQZLHD-ZIAGYGMSSA-N 1 0 219.372 3.655 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000527977579 387818776 /nfs/dbraw/zinc/81/87/76/387818776.db2.gz ANLWFEHYOSWYOO-GARJFASQSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000527977586 323741506 /nfs/dbraw/zinc/74/15/06/323741506.db2.gz ANLWFEHYOSWYOO-GMTAPVOTSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000527977590 323741026 /nfs/dbraw/zinc/74/10/26/323741026.db2.gz ANLWFEHYOSWYOO-HBNTYKKESA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000527977593 323741351 /nfs/dbraw/zinc/74/13/51/323741351.db2.gz ANLWFEHYOSWYOO-OUAUKWLOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccoc1 ZINC000527977648 387817568 /nfs/dbraw/zinc/81/75/68/387817568.db2.gz AXOGQXOZDOLMGE-CHWSQXEVSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccoc1 ZINC000527977652 323741354 /nfs/dbraw/zinc/74/13/54/323741354.db2.gz AXOGQXOZDOLMGE-OLZOCXBDSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccoc1 ZINC000527977656 387818472 /nfs/dbraw/zinc/81/84/72/387818472.db2.gz AXOGQXOZDOLMGE-QWHCGFSZSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccoc1 ZINC000527977659 323741371 /nfs/dbraw/zinc/74/13/71/323741371.db2.gz AXOGQXOZDOLMGE-STQMWFEESA-N 1 0 219.328 3.677 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000527978950 387796696 /nfs/dbraw/zinc/79/66/96/387796696.db2.gz LRQNOPVIZRBERE-BARDWOONSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000527978951 387795760 /nfs/dbraw/zinc/79/57/60/387795760.db2.gz LRQNOPVIZRBERE-BYNSBNAKSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000527978952 262897124 /nfs/dbraw/zinc/89/71/24/262897124.db2.gz LRQNOPVIZRBERE-LXTVHRRPSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000527978953 262896926 /nfs/dbraw/zinc/89/69/26/262896926.db2.gz LRQNOPVIZRBERE-XQLPTFJDSA-N 1 0 219.372 3.511 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527979035 387796716 /nfs/dbraw/zinc/79/67/16/387796716.db2.gz MXGCPQVMCQKTJD-CABCVRRESA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527979036 387796354 /nfs/dbraw/zinc/79/63/54/387796354.db2.gz MXGCPQVMCQKTJD-GJZGRUSLSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527979037 387796019 /nfs/dbraw/zinc/79/60/19/387796019.db2.gz MXGCPQVMCQKTJD-HUUCEWRRSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527979038 387798454 /nfs/dbraw/zinc/79/84/54/387798454.db2.gz MXGCPQVMCQKTJD-LSDHHAIUSA-N 1 0 244.382 3.787 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000527979733 387797383 /nfs/dbraw/zinc/79/73/83/387797383.db2.gz GLDVXMFFZNZEFV-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000527979738 387798107 /nfs/dbraw/zinc/79/81/07/387798107.db2.gz GLDVXMFFZNZEFV-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1cccc(O)c1 ZINC000527980270 262897343 /nfs/dbraw/zinc/89/73/43/262897343.db2.gz HHCQAARVVXKVKL-KBPBESRZSA-N 1 0 245.366 3.789 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1cccc(O)c1 ZINC000527980275 387798036 /nfs/dbraw/zinc/79/80/36/387798036.db2.gz HHCQAARVVXKVKL-KGLIPLIRSA-N 1 0 245.366 3.789 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1cccc(O)c1 ZINC000527980277 262897553 /nfs/dbraw/zinc/89/75/53/262897553.db2.gz HHCQAARVVXKVKL-UONOGXRCSA-N 1 0 245.366 3.789 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1cccc(O)c1 ZINC000527980282 387797366 /nfs/dbraw/zinc/79/73/66/387797366.db2.gz HHCQAARVVXKVKL-ZIAGYGMSSA-N 1 0 245.366 3.789 20 0 BHADRO C1=CC[C@@H](CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000527980649 262897360 /nfs/dbraw/zinc/89/73/60/262897360.db2.gz JAEPLLRTOWYSNY-GFCCVEGCSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000527980653 387797896 /nfs/dbraw/zinc/79/78/96/387797896.db2.gz JAEPLLRTOWYSNY-LBPRGKRZSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1nccs1 ZINC000527981411 387797983 /nfs/dbraw/zinc/79/79/83/387797983.db2.gz JCVKBYCJVWBXQL-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1nccs1 ZINC000527981413 387798269 /nfs/dbraw/zinc/79/82/69/387798269.db2.gz JCVKBYCJVWBXQL-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1nccs1 ZINC000527981416 387797601 /nfs/dbraw/zinc/79/76/01/387797601.db2.gz JCVKBYCJVWBXQL-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1nccs1 ZINC000527981417 387798256 /nfs/dbraw/zinc/79/82/56/387798256.db2.gz JCVKBYCJVWBXQL-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccncc1F ZINC000527983359 387799398 /nfs/dbraw/zinc/79/93/98/387799398.db2.gz WTIQQCBAZWKKLU-CHWSQXEVSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccncc1F ZINC000527983362 387799351 /nfs/dbraw/zinc/79/93/51/387799351.db2.gz WTIQQCBAZWKKLU-OLZOCXBDSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccncc1F ZINC000527983366 387802162 /nfs/dbraw/zinc/80/21/62/387802162.db2.gz WTIQQCBAZWKKLU-QWHCGFSZSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccncc1F ZINC000527983369 387801623 /nfs/dbraw/zinc/80/16/23/387801623.db2.gz WTIQQCBAZWKKLU-STQMWFEESA-N 1 0 248.345 3.618 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2C)cs1 ZINC000527983699 387801512 /nfs/dbraw/zinc/80/15/12/387801512.db2.gz CACRTOZQJRDKAK-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2cccnc2C)cs1 ZINC000527983700 387802227 /nfs/dbraw/zinc/80/22/27/387802227.db2.gz CACRTOZQJRDKAK-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000527983977 387801555 /nfs/dbraw/zinc/80/15/55/387801555.db2.gz XSKFORDCZOMUFJ-KBPBESRZSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000527983981 262898363 /nfs/dbraw/zinc/89/83/63/262898363.db2.gz XSKFORDCZOMUFJ-KGLIPLIRSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000527983984 387802585 /nfs/dbraw/zinc/80/25/85/387802585.db2.gz XSKFORDCZOMUFJ-UONOGXRCSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000527983987 387801963 /nfs/dbraw/zinc/80/19/63/387801963.db2.gz XSKFORDCZOMUFJ-ZIAGYGMSSA-N 1 0 219.372 3.655 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC[C@H]1CC=CCC1 ZINC000527984310 387801300 /nfs/dbraw/zinc/80/13/00/387801300.db2.gz ZAQQKCGSUPFWQF-KBPBESRZSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC[C@H]1CC=CCC1 ZINC000527984315 387802566 /nfs/dbraw/zinc/80/25/66/387802566.db2.gz ZAQQKCGSUPFWQF-KGLIPLIRSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC[C@@H]1CC=CCC1 ZINC000527984320 387802387 /nfs/dbraw/zinc/80/23/87/387802387.db2.gz ZAQQKCGSUPFWQF-UONOGXRCSA-N 1 0 233.355 3.547 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC[C@@H]1CC=CCC1 ZINC000527984325 387801530 /nfs/dbraw/zinc/80/15/30/387801530.db2.gz ZAQQKCGSUPFWQF-ZIAGYGMSSA-N 1 0 233.355 3.547 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccncc1 ZINC000527984592 387801592 /nfs/dbraw/zinc/80/15/92/387801592.db2.gz ZTBSHRSGTXWQPX-GDBMZVCRSA-N 1 0 244.382 3.869 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccncc1 ZINC000527984597 387802326 /nfs/dbraw/zinc/80/23/26/387802326.db2.gz ZTBSHRSGTXWQPX-GOEBONIOSA-N 1 0 244.382 3.869 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccncc1 ZINC000527984601 387801955 /nfs/dbraw/zinc/80/19/55/387801955.db2.gz ZTBSHRSGTXWQPX-HOCLYGCPSA-N 1 0 244.382 3.869 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccncc1 ZINC000527984606 262898487 /nfs/dbraw/zinc/89/84/87/262898487.db2.gz ZTBSHRSGTXWQPX-ZBFHGGJFSA-N 1 0 244.382 3.869 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000527985499 387802396 /nfs/dbraw/zinc/80/23/96/387802396.db2.gz IMLVMEYLBKTTDP-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000527985501 262898541 /nfs/dbraw/zinc/89/85/41/262898541.db2.gz IMLVMEYLBKTTDP-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC[C@H]([NH2+]Cc1cccnc1C)c1ccsc1 ZINC000527985650 387802043 /nfs/dbraw/zinc/80/20/43/387802043.db2.gz HYKBKBHSPFSOKV-AWEZNQCLSA-N 1 0 246.379 3.692 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccnc1C)c1ccsc1 ZINC000527985654 387801254 /nfs/dbraw/zinc/80/12/54/387801254.db2.gz HYKBKBHSPFSOKV-CQSZACIVSA-N 1 0 246.379 3.692 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@@H]1CC=CCC1 ZINC000527985985 387801889 /nfs/dbraw/zinc/80/18/89/387801889.db2.gz OOAFLBRSUHFURM-CHWSQXEVSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@H]1CC=CCC1 ZINC000527985987 262898305 /nfs/dbraw/zinc/89/83/05/262898305.db2.gz OOAFLBRSUHFURM-OLZOCXBDSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@@H]1CC=CCC1 ZINC000527985989 387802784 /nfs/dbraw/zinc/80/27/84/387802784.db2.gz OOAFLBRSUHFURM-QWHCGFSZSA-N 1 0 207.361 3.511 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@H]1CC=CCC1 ZINC000527985991 387801524 /nfs/dbraw/zinc/80/15/24/387801524.db2.gz OOAFLBRSUHFURM-STQMWFEESA-N 1 0 207.361 3.511 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCC12CC2 ZINC000527986578 387804095 /nfs/dbraw/zinc/80/40/95/387804095.db2.gz PQMSREZXCLUJIR-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCCC12CC2 ZINC000527986579 387803364 /nfs/dbraw/zinc/80/33/64/387803364.db2.gz PQMSREZXCLUJIR-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000527987348 387804425 /nfs/dbraw/zinc/80/44/25/387804425.db2.gz OFUDDMUWLYRDNT-HNNXBMFYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000527987349 387803474 /nfs/dbraw/zinc/80/34/74/387803474.db2.gz OFUDDMUWLYRDNT-OAHLLOKOSA-N 1 0 244.382 3.593 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccco1 ZINC000527988349 262898719 /nfs/dbraw/zinc/89/87/19/262898719.db2.gz XHGJEGDHEZGIAU-CHWSQXEVSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccco1 ZINC000527988351 387803356 /nfs/dbraw/zinc/80/33/56/387803356.db2.gz XHGJEGDHEZGIAU-OLZOCXBDSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccco1 ZINC000527988352 262898834 /nfs/dbraw/zinc/89/88/34/262898834.db2.gz XHGJEGDHEZGIAU-QWHCGFSZSA-N 1 0 219.328 3.677 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccco1 ZINC000527988354 387803567 /nfs/dbraw/zinc/80/35/67/387803567.db2.gz XHGJEGDHEZGIAU-STQMWFEESA-N 1 0 219.328 3.677 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 ZINC000527988365 387804302 /nfs/dbraw/zinc/80/43/02/387804302.db2.gz XKLSVAZZLHPBQV-GXTWGEPZSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 ZINC000527988366 387803923 /nfs/dbraw/zinc/80/39/23/387803923.db2.gz XKLSVAZZLHPBQV-JSGCOSHPSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC1 ZINC000527988369 387803664 /nfs/dbraw/zinc/80/36/64/387803664.db2.gz XKLSVAZZLHPBQV-OCCSQVGLSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC1 ZINC000527988371 387804478 /nfs/dbraw/zinc/80/44/78/387804478.db2.gz XKLSVAZZLHPBQV-TZMCWYRMSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527988401 387804333 /nfs/dbraw/zinc/80/43/33/387804333.db2.gz XPJBABJPOQHYEK-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527988405 262898832 /nfs/dbraw/zinc/89/88/32/262898832.db2.gz XPJBABJPOQHYEK-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527988407 387803926 /nfs/dbraw/zinc/80/39/26/387803926.db2.gz XPJBABJPOQHYEK-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(F)(F)CC ZINC000527988410 262899054 /nfs/dbraw/zinc/89/90/54/262899054.db2.gz XPJBABJPOQHYEK-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000527988546 387804371 /nfs/dbraw/zinc/80/43/71/387804371.db2.gz YMVZVQUWSUUYBM-CABCVRRESA-N 1 0 244.382 3.787 20 0 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BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1cncs1 ZINC000527988895 262898792 /nfs/dbraw/zinc/89/87/92/262898792.db2.gz ZCCLSMIMXZBARU-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1cscn1 ZINC000527989016 387804324 /nfs/dbraw/zinc/80/43/24/387804324.db2.gz ZNEGYFNHRUPBIR-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1cscn1 ZINC000527989018 387804403 /nfs/dbraw/zinc/80/44/03/387804403.db2.gz ZNEGYFNHRUPBIR-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1cscn1 ZINC000527989021 387803715 /nfs/dbraw/zinc/80/37/15/387803715.db2.gz ZNEGYFNHRUPBIR-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1cscn1 ZINC000527989023 387803437 /nfs/dbraw/zinc/80/34/37/387803437.db2.gz ZNEGYFNHRUPBIR-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989190 387803538 /nfs/dbraw/zinc/80/35/38/387803538.db2.gz ZZQWSJURMVKNLA-CHWSQXEVSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989191 387804431 /nfs/dbraw/zinc/80/44/31/387804431.db2.gz ZZQWSJURMVKNLA-OLZOCXBDSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989192 387803986 /nfs/dbraw/zinc/80/39/86/387803986.db2.gz ZZQWSJURMVKNLA-QWHCGFSZSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989193 387804540 /nfs/dbraw/zinc/80/45/40/387804540.db2.gz ZZQWSJURMVKNLA-STQMWFEESA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@H](C)[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000527995501 387805614 /nfs/dbraw/zinc/80/56/14/387805614.db2.gz MHMNRHXUPLYOCE-JTQLQIEISA-N 1 0 248.345 3.546 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000527995503 387806417 /nfs/dbraw/zinc/80/64/17/387806417.db2.gz MHMNRHXUPLYOCE-SNVBAGLBSA-N 1 0 248.345 3.546 20 0 BHADRO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000528004595 387809410 /nfs/dbraw/zinc/80/94/10/387809410.db2.gz 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/nfs/dbraw/zinc/74/35/81/323743581.db2.gz WHWGXEDVCKYCIH-AAEUAGOBSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ncccc1F ZINC000528036639 323744164 /nfs/dbraw/zinc/74/41/64/323744164.db2.gz WHWGXEDVCKYCIH-WCQYABFASA-N 1 0 248.345 3.594 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1ncccc1F ZINC000528036702 387818646 /nfs/dbraw/zinc/81/86/46/387818646.db2.gz UOJHAGPXMRUTJU-NSHDSACASA-N 1 0 238.350 3.840 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ncccc1F ZINC000528037638 387820645 /nfs/dbraw/zinc/82/06/45/387820645.db2.gz KGQPUFFOIYYYJO-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ncccc1F ZINC000528037639 387819658 /nfs/dbraw/zinc/81/96/58/387819658.db2.gz KGQPUFFOIYYYJO-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO CC[N@H+](C/C=C(/C)Cl)Cc1cccs1 ZINC000528337051 262911291 /nfs/dbraw/zinc/91/12/91/262911291.db2.gz KGTAXJDWCXOUAJ-POHAHGRESA-N 1 0 229.776 3.713 20 0 BHADRO CC[N@H+](C/C=C(\C)Cl)Cc1cccs1 ZINC000528337058 387895281 /nfs/dbraw/zinc/89/52/81/387895281.db2.gz KGTAXJDWCXOUAJ-UXBLZVDNSA-N 1 0 229.776 3.713 20 0 BHADRO Clc1cccnc1C[NH+]1CCCCCCC1 ZINC000528337927 387896008 /nfs/dbraw/zinc/89/60/08/387896008.db2.gz LFVUYIAZILLXBX-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)Cc1sccc1C ZINC000528338611 387894857 /nfs/dbraw/zinc/89/48/57/387894857.db2.gz MBXXBRIIKGGIBJ-ONNFQVAWSA-N 1 0 229.776 3.631 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)Cc1sccc1C ZINC000528338612 387895851 /nfs/dbraw/zinc/89/58/51/387895851.db2.gz MBXXBRIIKGGIBJ-WMZJFQQLSA-N 1 0 229.776 3.631 20 0 BHADRO CCCC[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528341508 387895402 /nfs/dbraw/zinc/89/54/02/387895402.db2.gz WOAUZDQALCUSGB-UHFFFAOYSA-N 1 0 248.395 3.837 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000528343004 262911354 /nfs/dbraw/zinc/91/13/54/262911354.db2.gz WYXQHHABRMGKPT-LMMOQWNQSA-N 1 0 223.747 3.822 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000528343005 387895868 /nfs/dbraw/zinc/89/58/68/387895868.db2.gz WYXQHHABRMGKPT-MMRAYRKESA-N 1 0 223.747 3.822 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000528343006 387895466 /nfs/dbraw/zinc/89/54/66/387895466.db2.gz WYXQHHABRMGKPT-UCQJPZFISA-N 1 0 223.747 3.822 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000528343007 387895489 /nfs/dbraw/zinc/89/54/89/387895489.db2.gz WYXQHHABRMGKPT-ZKQHCESOSA-N 1 0 223.747 3.822 20 0 BHADRO Cc1ccc2sc(C[NH+]3CCCCC3)nc2c1 ZINC000528347196 387906197 /nfs/dbraw/zinc/90/61/97/387906197.db2.gz DDWDFXNAWZVCPH-UHFFFAOYSA-N 1 0 246.379 3.591 20 0 BHADRO CC[N@H+](Cc1nc2cc(C)ccc2s1)C1CC1 ZINC000528351122 387907254 /nfs/dbraw/zinc/90/72/54/387907254.db2.gz QCGHHGHLYPQNGL-UHFFFAOYSA-N 1 0 246.379 3.589 20 0 BHADRO CC(C)C[N@H+](Cc1ncccc1Cl)C(C)C ZINC000528351441 387906486 /nfs/dbraw/zinc/90/64/86/387906486.db2.gz OJYSFTVAZDXSJW-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO C[C@H]([N@H+](C)Cc1ncccc1Cl)C(C)(C)C ZINC000528351522 387907243 /nfs/dbraw/zinc/90/72/43/387907243.db2.gz WZRZYAJNNSWTOF-JTQLQIEISA-N 1 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3.601 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)[C@H](C)c1cccs1 ZINC000528357450 387907782 /nfs/dbraw/zinc/90/77/82/387907782.db2.gz SXANUTYINUQHNM-ABRRARGCSA-N 1 0 229.776 3.884 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000528357453 387908470 /nfs/dbraw/zinc/90/84/70/387908470.db2.gz SXANUTYINUQHNM-MBACFSSFSA-N 1 0 229.776 3.884 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)[C@H](C)c1cccs1 ZINC000528357455 387907697 /nfs/dbraw/zinc/90/76/97/387907697.db2.gz SXANUTYINUQHNM-OLKPEBQYSA-N 1 0 229.776 3.884 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000528357456 387908459 /nfs/dbraw/zinc/90/84/59/387908459.db2.gz SXANUTYINUQHNM-ZKXNXJMVSA-N 1 0 229.776 3.884 20 0 BHADRO CC(C)[N@@H+](Cc1ccccn1)CC1CC(C)(C)C1 ZINC000528358011 387907637 /nfs/dbraw/zinc/90/76/37/387907637.db2.gz XRVSESAWJHRUEK-UHFFFAOYSA-N 1 0 246.398 3.728 20 0 BHADRO C/C(Cl)=C\CN(Cc1ccco1)C(C)C ZINC000528359578 387910595 /nfs/dbraw/zinc/91/05/95/387910595.db2.gz JVLWTBFJXVWGMT-IZZDOVSWSA-N 1 0 227.735 3.633 20 0 BHADRO C/C(Cl)=C/CN(Cc1ccco1)C(C)C ZINC000528359581 387911529 /nfs/dbraw/zinc/91/15/29/387911529.db2.gz JVLWTBFJXVWGMT-WDZFZDKYSA-N 1 0 227.735 3.633 20 0 BHADRO CCC[N@@H+](Cc1ncccc1Cl)CC(C)C ZINC000528368739 388451777 /nfs/dbraw/zinc/45/17/77/388451777.db2.gz WBVGUUNUCSNZIK-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C/C(Cl)=C/C[NH2+]C(C)(C)c1ccccc1 ZINC000528371834 388451237 /nfs/dbraw/zinc/45/12/37/388451237.db2.gz JFMDASDKRIUBQX-LUAWRHEFSA-N 1 0 223.747 3.654 20 0 BHADRO C/C(Cl)=C\C[NH2+]C(C)(C)c1ccccc1 ZINC000528371835 388452111 /nfs/dbraw/zinc/45/21/11/388452111.db2.gz JFMDASDKRIUBQX-PKNBQFBNSA-N 1 0 223.747 3.654 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)Cc1ccc(C)s1 ZINC000528371866 388451930 /nfs/dbraw/zinc/45/19/30/388451930.db2.gz KSTWNXSWGBWXJE-RMKNXTFCSA-N 1 0 229.776 3.631 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)Cc1ccc(C)s1 ZINC000528371867 388451784 /nfs/dbraw/zinc/45/17/84/388451784.db2.gz KSTWNXSWGBWXJE-TWGQIWQCSA-N 1 0 229.776 3.631 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCCc2sccc2C1 ZINC000528376062 385776028 /nfs/dbraw/zinc/77/60/28/385776028.db2.gz FTFOQQVJVURAIC-ONNFQVAWSA-N 1 0 241.787 3.639 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCCc2sccc2C1 ZINC000528376064 385777415 /nfs/dbraw/zinc/77/74/15/385777415.db2.gz FTFOQQVJVURAIC-WMZJFQQLSA-N 1 0 241.787 3.639 20 0 BHADRO C/C(Cl)=C\C[N@H+](C1CC1)C1CCCC1 ZINC000528379688 388518135 /nfs/dbraw/zinc/51/81/35/388518135.db2.gz JKLRCKLMAQSBAO-CSKARUKUSA-N 1 0 213.752 3.536 20 0 BHADRO C/C(Cl)=C/C[N@H+](C1CC1)C1CCCC1 ZINC000528379689 388518641 /nfs/dbraw/zinc/51/86/41/388518641.db2.gz JKLRCKLMAQSBAO-NTMALXAHSA-N 1 0 213.752 3.536 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000528381286 262943113 /nfs/dbraw/zinc/94/31/13/262943113.db2.gz HBDIXJAUSSOEBD-RDQDRAATSA-N 1 0 239.746 3.949 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000528381296 388518534 /nfs/dbraw/zinc/51/85/34/388518534.db2.gz HBDIXJAUSSOEBD-SEVUFMINSA-N 1 0 239.746 3.949 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000528381302 388518505 /nfs/dbraw/zinc/51/85/05/388518505.db2.gz HBDIXJAUSSOEBD-VNKGSWCUSA-N 1 0 239.746 3.949 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000528381308 388517608 /nfs/dbraw/zinc/51/76/08/388517608.db2.gz HBDIXJAUSSOEBD-YTRUQHMWSA-N 1 0 239.746 3.949 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1c1ccc(C)o1 ZINC000528381411 386816947 /nfs/dbraw/zinc/81/69/47/386816947.db2.gz HHSUILBBDVDTPA-MQGYJPLLSA-N 1 0 239.746 3.868 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1c1ccc(C)o1 ZINC000528381422 386815733 /nfs/dbraw/zinc/81/57/33/386815733.db2.gz HHSUILBBDVDTPA-OFFHKIPUSA-N 1 0 239.746 3.868 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCC[C@H]1c1ccc(C)o1 ZINC000528381426 386815140 /nfs/dbraw/zinc/81/51/40/386815140.db2.gz HHSUILBBDVDTPA-PMDBQALLSA-N 1 0 239.746 3.868 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCC[C@H]1c1ccc(C)o1 ZINC000528381430 386815182 /nfs/dbraw/zinc/81/51/82/386815182.db2.gz HHSUILBBDVDTPA-UMAGTOLTSA-N 1 0 239.746 3.868 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000528385147 388520113 /nfs/dbraw/zinc/52/01/13/388520113.db2.gz WWCAOLXLGVXTAU-CDCCAWJDSA-N 1 0 225.719 3.559 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000528385148 388519914 /nfs/dbraw/zinc/51/99/14/388519914.db2.gz WWCAOLXLGVXTAU-RUYJGKKWSA-N 1 0 225.719 3.559 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000528385149 388518617 /nfs/dbraw/zinc/51/86/17/388518617.db2.gz WWCAOLXLGVXTAU-SDKXAQGSSA-N 1 0 225.719 3.559 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000528385150 388518385 /nfs/dbraw/zinc/51/83/85/388518385.db2.gz WWCAOLXLGVXTAU-YAEJEKNGSA-N 1 0 225.719 3.559 20 0 BHADRO Cc1ccc2sc(C[N@@H+](C)C3CCC3)nc2c1 ZINC000528389282 324217681 /nfs/dbraw/zinc/21/76/81/324217681.db2.gz KKMCSZMMDQUGSR-UHFFFAOYSA-N 1 0 246.379 3.589 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000528394739 324220458 /nfs/dbraw/zinc/22/04/58/324220458.db2.gz KDAOQUYRSXYEHJ-HJTPGIPUSA-N 1 0 221.731 3.576 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000528394741 324220485 /nfs/dbraw/zinc/22/04/85/324220485.db2.gz KDAOQUYRSXYEHJ-LWMSPQMPSA-N 1 0 221.731 3.576 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000528395134 324220553 /nfs/dbraw/zinc/22/05/53/324220553.db2.gz KDAOQUYRSXYEHJ-SVTZGKHISA-N 1 0 221.731 3.576 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000528395136 324220628 /nfs/dbraw/zinc/22/06/28/324220628.db2.gz KDAOQUYRSXYEHJ-YLBKJLTLSA-N 1 0 221.731 3.576 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000528395455 324220298 /nfs/dbraw/zinc/22/02/98/324220298.db2.gz LKCKRZSQQQSLNU-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000528395472 324220036 /nfs/dbraw/zinc/22/00/36/324220036.db2.gz LKCKRZSQQQSLNU-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO C/C(Cl)=C/CN1Cc2ccccc2[C@@H]1C ZINC000528398600 387587364 /nfs/dbraw/zinc/58/73/64/387587364.db2.gz VSEDHFJJBMFBPY-BRNRAETOSA-N 1 0 221.731 3.706 20 0 BHADRO C/C(Cl)=C\CN1Cc2ccccc2[C@@H]1C ZINC000528398604 387587055 /nfs/dbraw/zinc/58/70/55/387587055.db2.gz VSEDHFJJBMFBPY-HUYFXPKMSA-N 1 0 221.731 3.706 20 0 BHADRO C/C(Cl)=C\CN1Cc2ccccc2[C@H]1C ZINC000528398607 387587146 /nfs/dbraw/zinc/58/71/46/387587146.db2.gz VSEDHFJJBMFBPY-PFEDMVJOSA-N 1 0 221.731 3.706 20 0 BHADRO C/C(Cl)=C/CN1Cc2ccccc2[C@H]1C ZINC000528398617 387587427 /nfs/dbraw/zinc/58/74/27/387587427.db2.gz VSEDHFJJBMFBPY-ZJRUKIMVSA-N 1 0 221.731 3.706 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000528405402 323097166 /nfs/dbraw/zinc/09/71/66/323097166.db2.gz GDWHNQVNWAVAIT-AWEZNQCLSA-N 1 0 232.371 3.588 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000528405403 323097085 /nfs/dbraw/zinc/09/70/85/323097085.db2.gz GDWHNQVNWAVAIT-CQSZACIVSA-N 1 0 232.371 3.588 20 0 BHADRO C/C(Cl)=C/C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000528412919 388520734 /nfs/dbraw/zinc/52/07/34/388520734.db2.gz GSQMFXAXVDVEOS-POHAHGRESA-N 1 0 239.721 3.547 20 0 BHADRO C/C(Cl)=C\C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000528412922 388520635 /nfs/dbraw/zinc/52/06/35/388520635.db2.gz GSQMFXAXVDVEOS-UXBLZVDNSA-N 1 0 239.721 3.547 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ncccc1Cl ZINC000528415375 388521260 /nfs/dbraw/zinc/52/12/60/388521260.db2.gz ILTCYJJYBZKQRH-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528415696 388520618 /nfs/dbraw/zinc/52/06/18/388520618.db2.gz MXPSJNBKRDDYQG-LLVKDONJSA-N 1 0 248.395 3.835 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528415699 388520893 /nfs/dbraw/zinc/52/08/93/388520893.db2.gz MXPSJNBKRDDYQG-NSHDSACASA-N 1 0 248.395 3.835 20 0 BHADRO CC(C)[N@@H+](Cc1cccnc1)CC1CC(C)(C)C1 ZINC000528421260 388521917 /nfs/dbraw/zinc/52/19/17/388521917.db2.gz DWJWWVFAWWAPGB-UHFFFAOYSA-N 1 0 246.398 3.728 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@H]2c2cccnc2)C1 ZINC000528423180 262945824 /nfs/dbraw/zinc/94/58/24/262945824.db2.gz GWQDEDQNVVZBBW-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@@H]2c2cccnc2)C1 ZINC000528423183 388522741 /nfs/dbraw/zinc/52/27/41/388522741.db2.gz GWQDEDQNVVZBBW-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000528423241 388521643 /nfs/dbraw/zinc/52/16/43/388521643.db2.gz HKNKMWKVOGHGBO-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCC[C@@H]2c2ccncc2)C1 ZINC000528423243 388521711 /nfs/dbraw/zinc/52/17/11/388521711.db2.gz HKNKMWKVOGHGBO-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528423376 388522205 /nfs/dbraw/zinc/52/22/05/388522205.db2.gz LJMBWZBCTSTQAW-GFCCVEGCSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528423379 388522757 /nfs/dbraw/zinc/52/27/57/388522757.db2.gz LJMBWZBCTSTQAW-LBPRGKRZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528425047 262945528 /nfs/dbraw/zinc/94/55/28/262945528.db2.gz UDPFKLDFMBJBNQ-GFCCVEGCSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528425049 388521985 /nfs/dbraw/zinc/52/19/85/388521985.db2.gz UDPFKLDFMBJBNQ-LBPRGKRZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528426351 388523306 /nfs/dbraw/zinc/52/33/06/388523306.db2.gz YXPHACKLVLYONL-GFCCVEGCSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528426352 388523316 /nfs/dbraw/zinc/52/33/16/388523316.db2.gz YXPHACKLVLYONL-LBPRGKRZSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528431422 388524530 /nfs/dbraw/zinc/52/45/30/388524530.db2.gz JAHUPNZITUTTHE-HNNXBMFYSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CC1CC(C)(C)C1 ZINC000528431426 388525286 /nfs/dbraw/zinc/52/52/86/388525286.db2.gz JAHUPNZITUTTHE-OAHLLOKOSA-N 1 0 246.398 3.901 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@H](c1cccs1)C1CC1 ZINC000528434019 388525547 /nfs/dbraw/zinc/52/55/47/388525547.db2.gz SLBWRSVFPIFKLF-LZGFCCKTSA-N 1 0 241.787 3.931 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000528434022 388525478 /nfs/dbraw/zinc/52/54/78/388525478.db2.gz SLBWRSVFPIFKLF-OJIASSBASA-N 1 0 241.787 3.931 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@H](c1cccs1)C1CC1 ZINC000528434025 388524652 /nfs/dbraw/zinc/52/46/52/388524652.db2.gz SLBWRSVFPIFKLF-PWWFUAJNSA-N 1 0 241.787 3.931 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000528434029 262947311 /nfs/dbraw/zinc/94/73/11/262947311.db2.gz SLBWRSVFPIFKLF-UVMWJGKXSA-N 1 0 241.787 3.931 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000528435690 385032336 /nfs/dbraw/zinc/03/23/36/385032336.db2.gz IHZHWRUCHVPMGC-BZJXQOFCSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000528435691 322891915 /nfs/dbraw/zinc/89/19/15/322891915.db2.gz IHZHWRUCHVPMGC-QRJSTWQJSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000528435692 385030460 /nfs/dbraw/zinc/03/04/60/385030460.db2.gz IHZHWRUCHVPMGC-RDOCRHDPSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000528435693 322891931 /nfs/dbraw/zinc/89/19/31/322891931.db2.gz IHZHWRUCHVPMGC-WHXYTISESA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@H](C)c1cccc(F)c1F ZINC000528436201 388525398 /nfs/dbraw/zinc/52/53/98/388525398.db2.gz CYEOCQZMRKFULM-BNICOGTQSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@H](C)c1cccc(F)c1F ZINC000528436203 262948001 /nfs/dbraw/zinc/94/80/01/262948001.db2.gz CYEOCQZMRKFULM-JGAIRUGNSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000528436204 388525542 /nfs/dbraw/zinc/52/55/42/388525542.db2.gz CYEOCQZMRKFULM-ORZBULNSSA-N 1 0 245.700 3.758 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000528436207 262948073 /nfs/dbraw/zinc/94/80/73/262948073.db2.gz CYEOCQZMRKFULM-XZLDQRQTSA-N 1 0 245.700 3.758 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncccc1Cl)C(C)(C)C ZINC000528437544 388526671 /nfs/dbraw/zinc/52/66/71/388526671.db2.gz IQGALPQKQCPLIN-GFCCVEGCSA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@H]([NH2+]Cc1ncccc1Cl)C(C)(C)C ZINC000528437546 388526184 /nfs/dbraw/zinc/52/61/84/388526184.db2.gz IQGALPQKQCPLIN-LBPRGKRZSA-N 1 0 240.778 3.649 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000528437898 388526261 /nfs/dbraw/zinc/52/62/61/388526261.db2.gz KCOOGISSMRAHRZ-CFRMROPGSA-N 1 0 235.758 3.870 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000528437899 262947641 /nfs/dbraw/zinc/94/76/41/262947641.db2.gz KCOOGISSMRAHRZ-FPAJZGIOSA-N 1 0 235.758 3.870 20 0 BHADRO C/C(Cl)=C\C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000528437901 388526267 /nfs/dbraw/zinc/52/62/67/388526267.db2.gz KCOOGISSMRAHRZ-MARXPDLDSA-N 1 0 235.758 3.870 20 0 BHADRO C/C(Cl)=C/C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000528437902 388526494 /nfs/dbraw/zinc/52/64/94/388526494.db2.gz KCOOGISSMRAHRZ-RBJHHQRMSA-N 1 0 235.758 3.870 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(C)(C)C1)c1nccs1 ZINC000528438196 388525696 /nfs/dbraw/zinc/52/56/96/388525696.db2.gz AZHRDKAUWUJVGE-LLVKDONJSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@H]([NH2+]CC1CC(C)(C)C1)c1nccs1 ZINC000528438201 388526128 /nfs/dbraw/zinc/52/61/28/388526128.db2.gz AZHRDKAUWUJVGE-NSHDSACASA-N 1 0 238.400 3.620 20 0 BHADRO C/C(Cl)=C\C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000528440408 322919561 /nfs/dbraw/zinc/91/95/61/322919561.db2.gz ZUFDKCMBJBRLJJ-BJMVGYQFSA-N 1 0 239.721 3.547 20 0 BHADRO C/C(Cl)=C/C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000528440409 322919468 /nfs/dbraw/zinc/91/94/68/322919468.db2.gz ZUFDKCMBJBRLJJ-YHYXMXQVSA-N 1 0 239.721 3.547 20 0 BHADRO CC1(C)CC(C[NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000528443770 384094760 /nfs/dbraw/zinc/09/47/60/384094760.db2.gz SDYIFRDTBKJMJF-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000528443772 322986300 /nfs/dbraw/zinc/98/63/00/322986300.db2.gz SDYIFRDTBKJMJF-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000528444538 388527665 /nfs/dbraw/zinc/52/76/65/388527665.db2.gz XWJIWPFDYDBHGC-GFCCVEGCSA-N 1 0 246.398 3.731 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000528444540 388528031 /nfs/dbraw/zinc/52/80/31/388528031.db2.gz XWJIWPFDYDBHGC-LBPRGKRZSA-N 1 0 246.398 3.731 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CC2CC(C)(C)C2)cn1 ZINC000528448410 388527733 /nfs/dbraw/zinc/52/77/33/388527733.db2.gz KPQSEFRQQOVMQB-UHFFFAOYSA-N 1 0 246.398 3.651 20 0 BHADRO C/C(Cl)=C\C[NH2+]C(C)(C)c1cccs1 ZINC000528449467 388527724 /nfs/dbraw/zinc/52/77/24/388527724.db2.gz LXQLOBSEQVYSGD-RMKNXTFCSA-N 1 0 229.776 3.715 20 0 BHADRO C/C(Cl)=C/C[NH2+]C(C)(C)c1cccs1 ZINC000528449469 262948936 /nfs/dbraw/zinc/94/89/36/262948936.db2.gz LXQLOBSEQVYSGD-TWGQIWQCSA-N 1 0 229.776 3.715 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CC2CC(C)(C)C2)s1 ZINC000528451968 388528671 /nfs/dbraw/zinc/52/86/71/388528671.db2.gz NYSHIVOYYWISGS-JTQLQIEISA-N 1 0 238.400 3.538 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CC2CC(C)(C)C2)s1 ZINC000528451975 388528835 /nfs/dbraw/zinc/52/88/35/388528835.db2.gz NYSHIVOYYWISGS-SNVBAGLBSA-N 1 0 238.400 3.538 20 0 BHADRO CC1(C)CC(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000528478678 262772538 /nfs/dbraw/zinc/77/25/38/262772538.db2.gz VCSYCJGJIFDPCP-JTQLQIEISA-N 1 0 249.320 3.697 20 0 BHADRO CC1(C)CC(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000528478687 387026283 /nfs/dbraw/zinc/02/62/83/387026283.db2.gz VCSYCJGJIFDPCP-SNVBAGLBSA-N 1 0 249.320 3.697 20 0 BHADRO C/C(Cl)=C/C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000528500405 262953923 /nfs/dbraw/zinc/95/39/23/262953923.db2.gz AOXXHSDOYXSDOW-UITAMQMPSA-N 1 0 237.721 3.639 20 0 BHADRO C/C(Cl)=C\C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000528500417 388535082 /nfs/dbraw/zinc/53/50/82/388535082.db2.gz AOXXHSDOYXSDOW-WEVVVXLNSA-N 1 0 237.721 3.639 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ncccc1Cl ZINC000528501397 388535440 /nfs/dbraw/zinc/53/54/40/388535440.db2.gz FYEPKSZZGMBYHE-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO C/C(Cl)=C\C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000528508558 388537993 /nfs/dbraw/zinc/53/79/93/388537993.db2.gz QFNSTBSJZNAEFG-IZZDOVSWSA-N 1 0 237.730 3.511 20 0 BHADRO C/C(Cl)=C/C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000528508560 388538532 /nfs/dbraw/zinc/53/85/32/388538532.db2.gz QFNSTBSJZNAEFG-WDZFZDKYSA-N 1 0 237.730 3.511 20 0 BHADRO CC[N@H+](Cc1ncccc1Cl)CC(C)(C)C ZINC000528510206 262954067 /nfs/dbraw/zinc/95/40/67/262954067.db2.gz WNKWLMDZHSXGDK-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C/C(Cl)=C\C[NH+](C1CCC1)C1CCC1 ZINC000528511115 388538830 /nfs/dbraw/zinc/53/88/30/388538830.db2.gz CIZTZPCTVUPBGA-CSKARUKUSA-N 1 0 213.752 3.536 20 0 BHADRO C/C(Cl)=C/C[NH+](C1CCC1)C1CCC1 ZINC000528511116 388538607 /nfs/dbraw/zinc/53/86/07/388538607.db2.gz CIZTZPCTVUPBGA-NTMALXAHSA-N 1 0 213.752 3.536 20 0 BHADRO CCC1([NH2+]Cc2ncccc2Cl)CCCC1 ZINC000528515388 388509314 /nfs/dbraw/zinc/50/93/14/388509314.db2.gz FQYGVEGWFCFTMX-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO C/C(Cl)=C\CN1Cc2ccc(Cl)cc2C1 ZINC000528522611 388542939 /nfs/dbraw/zinc/54/29/39/388542939.db2.gz STHKWKAEIOCPQW-RUDMXATFSA-N 1 0 242.149 3.798 20 0 BHADRO C/C(Cl)=C/CN1Cc2ccc(Cl)cc2C1 ZINC000528522617 388542662 /nfs/dbraw/zinc/54/26/62/388542662.db2.gz STHKWKAEIOCPQW-WTKPLQERSA-N 1 0 242.149 3.798 20 0 BHADRO Cc1ccc2sc(C[N@@H+](C)C(C)(C)C)nc2c1 ZINC000528537575 388545359 /nfs/dbraw/zinc/54/53/59/388545359.db2.gz JYRFAZCIQIFTPY-UHFFFAOYSA-N 1 0 248.395 3.835 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ncccc1Cl ZINC000528537663 388545213 /nfs/dbraw/zinc/54/52/13/388545213.db2.gz LSFFITUTUVYGJY-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ncccc1Cl ZINC000528546568 388545873 /nfs/dbraw/zinc/54/58/73/388545873.db2.gz AVLLYGZWGXIPCM-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ncccc1Cl ZINC000528546569 388546260 /nfs/dbraw/zinc/54/62/60/388546260.db2.gz AVLLYGZWGXIPCM-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO COCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC000528577174 262960205 /nfs/dbraw/zinc/96/02/05/262960205.db2.gz JDAWVZDIJZCSOK-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1C1CCCC1 ZINC000528584938 388549546 /nfs/dbraw/zinc/54/95/46/388549546.db2.gz RVMRIRWDAYUMOT-FUNVUKJBSA-N 1 0 241.325 3.581 20 0 BHADRO CC(=O)CC[N@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC000528589901 388549963 /nfs/dbraw/zinc/54/99/63/388549963.db2.gz BBAHKFLTMGXVEV-UHFFFAOYSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528613328 388551980 /nfs/dbraw/zinc/55/19/80/388551980.db2.gz NWXYRFHNGQRXOZ-UHFFFAOYSA-N 1 0 234.368 3.531 20 0 BHADRO CCCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528613451 388552381 /nfs/dbraw/zinc/55/23/81/388552381.db2.gz QMKQRDGXUOJIJK-UHFFFAOYSA-N 1 0 248.395 3.921 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647273 388554368 /nfs/dbraw/zinc/55/43/68/388554368.db2.gz BUYZGUSCADWCNV-GDBMZVCRSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647274 388554774 /nfs/dbraw/zinc/55/47/74/388554774.db2.gz BUYZGUSCADWCNV-GOEBONIOSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647275 388554296 /nfs/dbraw/zinc/55/42/96/388554296.db2.gz BUYZGUSCADWCNV-HOCLYGCPSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647276 388554274 /nfs/dbraw/zinc/55/42/74/388554274.db2.gz BUYZGUSCADWCNV-ZBFHGGJFSA-N 1 0 242.366 3.621 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528651235 388555340 /nfs/dbraw/zinc/55/53/40/388555340.db2.gz QYBDBGJIGFLIOJ-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528651238 388555337 /nfs/dbraw/zinc/55/53/37/388555337.db2.gz QYBDBGJIGFLIOJ-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652502 388555529 /nfs/dbraw/zinc/55/55/29/388555529.db2.gz UXEFZVACRCYNLL-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652504 262964250 /nfs/dbraw/zinc/96/42/50/262964250.db2.gz UXEFZVACRCYNLL-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652901 388555421 /nfs/dbraw/zinc/55/54/21/388555421.db2.gz KQHFZGQYVQXYIR-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652903 388555281 /nfs/dbraw/zinc/55/52/81/388555281.db2.gz KQHFZGQYVQXYIR-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528763969 388569179 /nfs/dbraw/zinc/56/91/79/388569179.db2.gz CAHHTIURGPDHEJ-GFCCVEGCSA-N 1 0 239.309 3.615 20 0 BHADRO Cc1ccccc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528763970 388569870 /nfs/dbraw/zinc/56/98/70/388569870.db2.gz CAHHTIURGPDHEJ-LBPRGKRZSA-N 1 0 239.309 3.615 20 0 BHADRO CC(C)CCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528765468 388569777 /nfs/dbraw/zinc/56/97/77/388569777.db2.gz BMYHHWDCSSDCQT-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC(C)CCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528765472 388568889 /nfs/dbraw/zinc/56/88/89/388568889.db2.gz BMYHHWDCSSDCQT-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCC1=CCCCC1 ZINC000528766143 388569328 /nfs/dbraw/zinc/56/93/28/388569328.db2.gz 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CC[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529527501 324325858 /nfs/dbraw/zinc/32/58/58/324325858.db2.gz SDTSUZUCQANLPM-AWEZNQCLSA-N 1 0 228.339 3.542 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529527502 324325496 /nfs/dbraw/zinc/32/54/96/324325496.db2.gz SDTSUZUCQANLPM-CQSZACIVSA-N 1 0 228.339 3.542 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CC(F)(F)C2)s1 ZINC000529529484 324325253 /nfs/dbraw/zinc/32/52/53/324325253.db2.gz BHNWWMMOADNPPM-SECBINFHSA-N 1 0 245.338 3.580 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)s1 ZINC000529529487 324325868 /nfs/dbraw/zinc/32/58/68/324325868.db2.gz BHNWWMMOADNPPM-VIFPVBQESA-N 1 0 245.338 3.580 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529529786 324325398 /nfs/dbraw/zinc/32/53/98/324325398.db2.gz DXPAPTIDBFNDCV-SECBINFHSA-N 1 0 245.338 3.580 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529529787 324325976 /nfs/dbraw/zinc/32/59/76/324325976.db2.gz DXPAPTIDBFNDCV-VIFPVBQESA-N 1 0 245.338 3.580 20 0 BHADRO C[N@H+](Cc1ccsc1C(F)(F)F)C1CCC1 ZINC000529529910 324326056 /nfs/dbraw/zinc/32/60/56/324326056.db2.gz FNJYOHXGEZIWJL-UHFFFAOYSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)C1CC(F)(F)C1 ZINC000529532369 324327206 /nfs/dbraw/zinc/32/72/06/324327206.db2.gz IXPUVYNGTFBGPC-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)C1CC(F)(F)C1 ZINC000529532370 324327248 /nfs/dbraw/zinc/32/72/48/324327248.db2.gz IXPUVYNGTFBGPC-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)[N@H+](Cc1ccc2cc[nH]c2c1)C1CCC1 ZINC000529532748 324326808 /nfs/dbraw/zinc/32/68/08/324326808.db2.gz XQAOVXBULSJGDR-UHFFFAOYSA-N 1 0 242.366 3.931 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529532787 324327326 /nfs/dbraw/zinc/32/73/26/324327326.db2.gz OPNCZXVHKXJZOC-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529532788 324326552 /nfs/dbraw/zinc/32/65/52/324326552.db2.gz OPNCZXVHKXJZOC-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529532789 324327238 /nfs/dbraw/zinc/32/72/38/324327238.db2.gz OPNCZXVHKXJZOC-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529532790 324327131 /nfs/dbraw/zinc/32/71/31/324327131.db2.gz OPNCZXVHKXJZOC-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)C1CC(F)(F)C1 ZINC000529532829 324326774 /nfs/dbraw/zinc/32/67/74/324326774.db2.gz PDCCQWWLUPYYGZ-CXQJBGSLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)C1CC(F)(F)C1 ZINC000529532831 324326514 /nfs/dbraw/zinc/32/65/14/324326514.db2.gz PDCCQWWLUPYYGZ-MOENNCHZSA-N 1 0 245.357 3.836 20 0 BHADRO c1cc2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2[nH]1 ZINC000529532996 323182647 /nfs/dbraw/zinc/18/26/47/323182647.db2.gz KJLXARKEKVXMPZ-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)C1CC(F)(F)C1 ZINC000529533267 324327893 /nfs/dbraw/zinc/32/78/93/324327893.db2.gz KYTPJAZTNKTXOG-JTQLQIEISA-N 1 0 231.330 3.733 20 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MLRQUXQGQRXIGR-DMDPSCGWSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533327 324328080 /nfs/dbraw/zinc/32/80/80/324328080.db2.gz MLRQUXQGQRXIGR-LOWVWBTDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529533328 324327876 /nfs/dbraw/zinc/32/78/76/324327876.db2.gz MLRQUXQGQRXIGR-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529533329 324328189 /nfs/dbraw/zinc/32/81/89/324328189.db2.gz MLRQUXQGQRXIGR-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000529533880 324327873 /nfs/dbraw/zinc/32/78/73/324327873.db2.gz MRKCSBYGNGJCON-LLVKDONJSA-N 1 0 239.309 3.518 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529533890 324327798 /nfs/dbraw/zinc/32/77/98/324327798.db2.gz MRKCSBYGNGJCON-NSHDSACASA-N 1 0 239.309 3.518 20 0 BHADRO CC[N@H+](Cc1ccc2cc[nH]c2c1)C1CCC1 ZINC000529533971 324327565 /nfs/dbraw/zinc/32/75/65/324327565.db2.gz XTFRTAZSBLTWCX-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc2cc[nH]c2c1)C1(C)CC1 ZINC000529534446 323182973 /nfs/dbraw/zinc/18/29/73/323182973.db2.gz CPXFFMRIVRTMFO-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)C1CC(F)(F)C1 ZINC000529534450 324328161 /nfs/dbraw/zinc/32/81/61/324328161.db2.gz CLSPRIKOIYXLHX-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)C1CC(F)(F)C1 ZINC000529534451 324320747 /nfs/dbraw/zinc/32/07/47/324320747.db2.gz CLSPRIKOIYXLHX-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc2cc[nH]c2c1)C1(C)CC1 ZINC000529534453 323182901 /nfs/dbraw/zinc/18/29/01/323182901.db2.gz CPXFFMRIVRTMFO-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)C1CC(F)(F)C1 ZINC000529534752 324327976 /nfs/dbraw/zinc/32/79/76/324327976.db2.gz OXADVJRVZOXQEO-LLVKDONJSA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)C1CC(F)(F)C1 ZINC000529534753 324328175 /nfs/dbraw/zinc/32/81/75/324328175.db2.gz OXADVJRVZOXQEO-NSHDSACASA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529534916 324327650 /nfs/dbraw/zinc/32/76/50/324327650.db2.gz WXKVWUPQVGFKTJ-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529534917 324328265 /nfs/dbraw/zinc/32/82/65/324328265.db2.gz WXKVWUPQVGFKTJ-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529534918 324328053 /nfs/dbraw/zinc/32/80/53/324328053.db2.gz WXKVWUPQVGFKTJ-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529534919 324328094 /nfs/dbraw/zinc/32/80/94/324328094.db2.gz WXKVWUPQVGFKTJ-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CC(F)(F)C1 ZINC000529535644 323182990 /nfs/dbraw/zinc/18/29/90/323182990.db2.gz ZAGVCGAJMDSJLN-GMTAPVOTSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CC(F)(F)C1 ZINC000529535649 323182918 /nfs/dbraw/zinc/18/29/18/323182918.db2.gz ZAGVCGAJMDSJLN-MXWKQRLJSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529535657 323182919 /nfs/dbraw/zinc/18/29/19/323182919.db2.gz ZAGVCGAJMDSJLN-SRRSOLGSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529535659 323182941 /nfs/dbraw/zinc/18/29/41/323182941.db2.gz ZAGVCGAJMDSJLN-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529536097 324328830 /nfs/dbraw/zinc/32/88/30/324328830.db2.gz JNHOEPSBPNDSEJ-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529536098 324329083 /nfs/dbraw/zinc/32/90/83/324329083.db2.gz JNHOEPSBPNDSEJ-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529536099 324329227 /nfs/dbraw/zinc/32/92/27/324329227.db2.gz JNHOEPSBPNDSEJ-JFGNBEQYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529536100 324329160 /nfs/dbraw/zinc/32/91/60/324329160.db2.gz JNHOEPSBPNDSEJ-SCVCMEIPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)C1CC(F)(F)C1 ZINC000529536705 324329931 /nfs/dbraw/zinc/32/99/31/324329931.db2.gz OXMRQZZDIOHWHS-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)C1CC(F)(F)C1 ZINC000529536706 324329897 /nfs/dbraw/zinc/32/98/97/324329897.db2.gz OXMRQZZDIOHWHS-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537270 324330027 /nfs/dbraw/zinc/33/00/27/324330027.db2.gz CYTHRSHAFBADSQ-GXSJLCMTSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537272 324329589 /nfs/dbraw/zinc/32/95/89/324329589.db2.gz CYTHRSHAFBADSQ-KOLCDFICSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537273 324329702 /nfs/dbraw/zinc/32/97/02/324329702.db2.gz CYTHRSHAFBADSQ-MWLCHTKSSA-N 1 0 219.319 3.589 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537275 324330267 /nfs/dbraw/zinc/33/02/67/324330267.db2.gz CYTHRSHAFBADSQ-ONGXEEELSA-N 1 0 219.319 3.589 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537330 324329877 /nfs/dbraw/zinc/32/98/77/324329877.db2.gz VSIOLHVCBMVYJD-LLVKDONJSA-N 1 0 239.309 3.518 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537331 324329872 /nfs/dbraw/zinc/32/98/72/324329872.db2.gz VSIOLHVCBMVYJD-NSHDSACASA-N 1 0 239.309 3.518 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CC(F)(F)C2)cc1 ZINC000529537627 324330248 /nfs/dbraw/zinc/33/02/48/324330248.db2.gz YFPYKYBULPHZDZ-LLVKDONJSA-N 1 0 239.309 3.518 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)cc1 ZINC000529537628 324329975 /nfs/dbraw/zinc/32/99/75/324329975.db2.gz YFPYKYBULPHZDZ-NSHDSACASA-N 1 0 239.309 3.518 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1CC(F)(F)C1 ZINC000529537818 324329830 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CC[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000529538078 324329970 /nfs/dbraw/zinc/32/99/70/324329970.db2.gz KASKRXCHLYUZIO-MWLCHTKSSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000529538079 324329775 /nfs/dbraw/zinc/32/97/75/324329775.db2.gz KASKRXCHLYUZIO-ONGXEEELSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538936 324331181 /nfs/dbraw/zinc/33/11/81/324331181.db2.gz AITXBIDZGBLZOK-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538937 324331134 /nfs/dbraw/zinc/33/11/34/324331134.db2.gz AITXBIDZGBLZOK-FOGDFJRCSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538938 324322234 /nfs/dbraw/zinc/32/22/34/324322234.db2.gz AITXBIDZGBLZOK-HOSYDEDBSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538939 324322902 /nfs/dbraw/zinc/32/29/02/324322902.db2.gz AITXBIDZGBLZOK-UMNHJUIQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000529539313 324330797 /nfs/dbraw/zinc/33/07/97/324330797.db2.gz VCGJGGAGEDSSDD-GHMZBOCLSA-N 1 0 239.309 3.771 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000529539314 324331001 /nfs/dbraw/zinc/33/10/01/324331001.db2.gz VCGJGGAGEDSSDD-MNOVXSKESA-N 1 0 239.309 3.771 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000529539315 324330679 /nfs/dbraw/zinc/33/06/79/324330679.db2.gz VCGJGGAGEDSSDD-QWRGUYRKSA-N 1 0 239.309 3.771 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CC(F)(F)C1 ZINC000529539316 324331167 /nfs/dbraw/zinc/33/11/67/324331167.db2.gz VCGJGGAGEDSSDD-WDEREUQCSA-N 1 0 239.309 3.771 20 0 BHADRO CC1([NH2+]Cc2ccsc2C(F)(F)F)CCC1 ZINC000529540685 324331434 /nfs/dbraw/zinc/33/14/34/324331434.db2.gz IHWZMJDJOJTMOW-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CCCC1 ZINC000529540974 324331684 /nfs/dbraw/zinc/33/16/84/324331684.db2.gz GOZNEXGEQGVMPX-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CCCC1 ZINC000529540983 324331981 /nfs/dbraw/zinc/33/19/81/324331981.db2.gz GOZNEXGEQGVMPX-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529541360 324331905 /nfs/dbraw/zinc/33/19/05/324331905.db2.gz KQMNHYSCWIGDML-BLFANLJRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529541362 324332049 /nfs/dbraw/zinc/33/20/49/324332049.db2.gz KQMNHYSCWIGDML-DCQANWLSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CC(F)(F)C1 ZINC000529541364 324331921 /nfs/dbraw/zinc/33/19/21/324331921.db2.gz KQMNHYSCWIGDML-UZWSLXQKSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529541366 324331767 /nfs/dbraw/zinc/33/17/67/324331767.db2.gz KQMNHYSCWIGDML-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)C1CC(F)(F)C1 ZINC000529541586 324331874 /nfs/dbraw/zinc/33/18/74/324331874.db2.gz HRJAKZVHEWKTIB-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)C1CC(F)(F)C1 ZINC000529541587 324331973 /nfs/dbraw/zinc/33/19/73/324331973.db2.gz HRJAKZVHEWKTIB-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)C1CC(F)(F)C1 ZINC000529541603 324332017 /nfs/dbraw/zinc/33/20/17/324332017.db2.gz HZYQAKLASQZSSS-JTQLQIEISA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CC(F)(F)C1 ZINC000529541604 324331954 /nfs/dbraw/zinc/33/19/54/324331954.db2.gz HZYQAKLASQZSSS-SNVBAGLBSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC(F)(F)C1 ZINC000529542344 324332399 /nfs/dbraw/zinc/33/23/99/324332399.db2.gz JTQPSTVZKMPQDJ-HHISKICNSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1CC(F)(F)C1 ZINC000529542345 324332473 /nfs/dbraw/zinc/33/24/73/324332473.db2.gz JTQPSTVZKMPQDJ-PGHLRGPGSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)C1CC(F)(F)C1 ZINC000529542346 324332368 /nfs/dbraw/zinc/33/23/68/324332368.db2.gz JTQPSTVZKMPQDJ-YUVKLTJASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC(F)(F)C1 ZINC000529542347 324332692 /nfs/dbraw/zinc/33/26/92/324332692.db2.gz JTQPSTVZKMPQDJ-ZUYNKMSQSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCC1)C1CC(F)(F)C1 ZINC000529542773 324331763 /nfs/dbraw/zinc/33/17/63/324331763.db2.gz KKUBTVJDRYKBDJ-JTQLQIEISA-N 1 0 229.314 3.510 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCC1)C1CC(F)(F)C1 ZINC000529542775 324331551 /nfs/dbraw/zinc/33/15/51/324331551.db2.gz KKUBTVJDRYKBDJ-SNVBAGLBSA-N 1 0 229.314 3.510 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc2cc[nH]c2c1 ZINC000529542934 324333451 /nfs/dbraw/zinc/33/34/51/324333451.db2.gz ONPAPOLNZFVRSQ-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529543436 324333563 /nfs/dbraw/zinc/33/35/63/324333563.db2.gz AMYBZJCQHHVEDS-DMDPSCGWSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529543437 324333761 /nfs/dbraw/zinc/33/37/61/324333761.db2.gz AMYBZJCQHHVEDS-LOWVWBTDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529543439 324333258 /nfs/dbraw/zinc/33/32/58/324333258.db2.gz AMYBZJCQHHVEDS-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529543440 353796239 /nfs/dbraw/zinc/79/62/39/353796239.db2.gz AMYBZJCQHHVEDS-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccc(N[C@H](C)C2CC(F)(F)C2)c(C)n1 ZINC000529543701 324333262 /nfs/dbraw/zinc/33/32/62/324333262.db2.gz MMUCLQXJVBMSPG-SECBINFHSA-N 1 0 240.297 3.544 20 0 BHADRO Cc1ccc(N[C@@H](C)C2CC(F)(F)C2)c(C)n1 ZINC000529543703 324333392 /nfs/dbraw/zinc/33/33/92/324333392.db2.gz MMUCLQXJVBMSPG-VIFPVBQESA-N 1 0 240.297 3.544 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)C1CC(F)(F)C1 ZINC000529543766 353794356 /nfs/dbraw/zinc/79/43/56/353794356.db2.gz NIDUFKRDVXKCPK-XSRFYTQQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)C1CC(F)(F)C1 ZINC000529543767 353794020 /nfs/dbraw/zinc/79/40/20/353794020.db2.gz NIDUFKRDVXKCPK-ZBOXLXRLSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529544623 324334341 /nfs/dbraw/zinc/33/43/41/324334341.db2.gz UDORNZDKCAWLRM-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529544624 324334541 /nfs/dbraw/zinc/33/45/41/324334541.db2.gz UDORNZDKCAWLRM-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)C1CC(F)(F)C1 ZINC000529544625 324334298 /nfs/dbraw/zinc/33/42/98/324334298.db2.gz UDORNZDKCAWLRM-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529544626 324334192 /nfs/dbraw/zinc/33/41/92/324334192.db2.gz UDORNZDKCAWLRM-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO Fc1ccc(C[NH2+]CCC2=CCCCCC2)nc1 ZINC000529545490 323183510 /nfs/dbraw/zinc/18/35/10/323183510.db2.gz WZQJJNYJVJJWFO-UHFFFAOYSA-N 1 0 248.345 3.591 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H](C)C2CC(F)(F)C2)c1 ZINC000529545543 324335176 /nfs/dbraw/zinc/33/51/76/324335176.db2.gz SOWUUHPKIZQWBG-JTQLQIEISA-N 1 0 240.297 3.544 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H](C)C2CC(F)(F)C2)c1 ZINC000529545545 324335114 /nfs/dbraw/zinc/33/51/14/324335114.db2.gz SOWUUHPKIZQWBG-SNVBAGLBSA-N 1 0 240.297 3.544 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CCC1 ZINC000529545918 324335363 /nfs/dbraw/zinc/33/53/63/324335363.db2.gz QLYPNQSDNFPHAW-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CCC1 ZINC000529545919 324335340 /nfs/dbraw/zinc/33/53/40/324335340.db2.gz QLYPNQSDNFPHAW-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)C1CC(F)(F)C1 ZINC000529546150 324336163 /nfs/dbraw/zinc/33/61/63/324336163.db2.gz DSYPMHUFAMSELF-JTQLQIEISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C1CC(F)(F)C1 ZINC000529546151 324336092 /nfs/dbraw/zinc/33/60/92/324336092.db2.gz DSYPMHUFAMSELF-SNVBAGLBSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529546217 324336172 /nfs/dbraw/zinc/33/61/72/324336172.db2.gz VCJJMTHIITXHFN-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529546218 324336033 /nfs/dbraw/zinc/33/60/33/324336033.db2.gz VCJJMTHIITXHFN-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529546219 324335976 /nfs/dbraw/zinc/33/59/76/324335976.db2.gz VCJJMTHIITXHFN-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529546220 324336013 /nfs/dbraw/zinc/33/60/13/324336013.db2.gz VCJJMTHIITXHFN-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529546615 324335123 /nfs/dbraw/zinc/33/51/23/324335123.db2.gz SSFQHXGCJBPOTQ-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529546616 324335205 /nfs/dbraw/zinc/33/52/05/324335205.db2.gz SSFQHXGCJBPOTQ-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529546617 324327883 /nfs/dbraw/zinc/32/78/83/324327883.db2.gz SSFQHXGCJBPOTQ-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529546618 324328309 /nfs/dbraw/zinc/32/83/09/324328309.db2.gz SSFQHXGCJBPOTQ-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO c1cc2ccc(C[N@@H+]3CCCC4(CC4)C3)cc2[nH]1 ZINC000529546943 324336087 /nfs/dbraw/zinc/33/60/87/324336087.db2.gz YFMZCQFTIKVDIN-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C1CC(F)(F)C1 ZINC000529547945 324336915 /nfs/dbraw/zinc/33/69/15/324336915.db2.gz ZGHIEWLSUPTASD-CMPLNLGQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)C1CC(F)(F)C1 ZINC000529547946 324336919 /nfs/dbraw/zinc/33/69/19/324336919.db2.gz ZGHIEWLSUPTASD-JQWIXIFHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C1CC(F)(F)C1 ZINC000529547947 324336977 /nfs/dbraw/zinc/33/69/77/324336977.db2.gz ZGHIEWLSUPTASD-PWSUYJOCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C1CC(F)(F)C1 ZINC000529547948 324329188 /nfs/dbraw/zinc/32/91/88/324329188.db2.gz ZGHIEWLSUPTASD-ZYHUDNBSSA-N 1 0 245.357 3.979 20 0 BHADRO c1cc2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)cc2[nH]1 ZINC000529548433 324336851 /nfs/dbraw/zinc/33/68/51/324336851.db2.gz BWXYUWYQKUMZHK-GOEBONIOSA-N 1 0 240.350 3.542 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)C1CC(F)(F)C1 ZINC000529548943 324337504 /nfs/dbraw/zinc/33/75/04/324337504.db2.gz LWLFWXDEDUMYPH-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)C1CC(F)(F)C1 ZINC000529548944 324337645 /nfs/dbraw/zinc/33/76/45/324337645.db2.gz LWLFWXDEDUMYPH-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CC(F)(F)C1 ZINC000529548975 324337770 /nfs/dbraw/zinc/33/77/70/324337770.db2.gz MUDSYTWSLZMLJZ-BLFANLJRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CC(F)(F)C1 ZINC000529548976 323183673 /nfs/dbraw/zinc/18/36/73/323183673.db2.gz MUDSYTWSLZMLJZ-DCQANWLSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CC(F)(F)C1 ZINC000529548977 323183608 /nfs/dbraw/zinc/18/36/08/323183608.db2.gz MUDSYTWSLZMLJZ-UZWSLXQKSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CC(F)(F)C1 ZINC000529548978 323183657 /nfs/dbraw/zinc/18/36/57/323183657.db2.gz MUDSYTWSLZMLJZ-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529550802 324338453 /nfs/dbraw/zinc/33/84/53/324338453.db2.gz QDSPCTAQJDRAIH-CKYFFXLPSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529550803 324338293 /nfs/dbraw/zinc/33/82/93/324338293.db2.gz QDSPCTAQJDRAIH-NHCYSSNCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529551346 324338380 /nfs/dbraw/zinc/33/83/80/324338380.db2.gz RHGYJPDSRWWCRJ-GMTAPVOTSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529551347 324338211 /nfs/dbraw/zinc/33/82/11/324338211.db2.gz RHGYJPDSRWWCRJ-MXWKQRLJSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529551348 323183782 /nfs/dbraw/zinc/18/37/82/323183782.db2.gz RHGYJPDSRWWCRJ-SRRSOLGSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529551349 323183754 /nfs/dbraw/zinc/18/37/54/323183754.db2.gz RHGYJPDSRWWCRJ-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529551971 324338757 /nfs/dbraw/zinc/33/87/57/324338757.db2.gz JQMLPZHLFXDULL-JTQLQIEISA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529551972 324334461 /nfs/dbraw/zinc/33/44/61/324334461.db2.gz JQMLPZHLFXDULL-SNVBAGLBSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529552122 324335033 /nfs/dbraw/zinc/33/50/33/324335033.db2.gz YRTSMHWVVITOLX-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCCCC1 ZINC000529552123 324335325 /nfs/dbraw/zinc/33/53/25/324335325.db2.gz YRTSMHWVVITOLX-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529552124 324334994 /nfs/dbraw/zinc/33/49/94/324334994.db2.gz YRTSMHWVVITOLX-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529552125 324334964 /nfs/dbraw/zinc/33/49/64/324334964.db2.gz YRTSMHWVVITOLX-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529552887 324339979 /nfs/dbraw/zinc/33/99/79/324339979.db2.gz BZAHCZHQIWFYIV-SECBINFHSA-N 1 0 245.338 3.580 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529552888 324339869 /nfs/dbraw/zinc/33/98/69/324339869.db2.gz BZAHCZHQIWFYIV-VIFPVBQESA-N 1 0 245.338 3.580 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529553671 324339699 /nfs/dbraw/zinc/33/96/99/324339699.db2.gz FOGWGAWKHASQSF-CMPLNLGQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529553672 324340081 /nfs/dbraw/zinc/34/00/81/324340081.db2.gz FOGWGAWKHASQSF-JQWIXIFHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC(F)(F)C1 ZINC000529553912 323183902 /nfs/dbraw/zinc/18/39/02/323183902.db2.gz JNCHFZNINHHZHK-JTQLQIEISA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC(F)(F)C1 ZINC000529553918 323183826 /nfs/dbraw/zinc/18/38/26/323183826.db2.gz JNCHFZNINHHZHK-SNVBAGLBSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529553925 324339709 /nfs/dbraw/zinc/33/97/09/324339709.db2.gz FOGWGAWKHASQSF-PWSUYJOCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529553933 324339751 /nfs/dbraw/zinc/33/97/51/324339751.db2.gz FOGWGAWKHASQSF-ZYHUDNBSSA-N 1 0 245.357 3.979 20 0 BHADRO c1cc2ccc(C[N@@H+]3CCCC34CCC4)cc2[nH]1 ZINC000529553948 324339787 /nfs/dbraw/zinc/33/97/87/324339787.db2.gz KGECSTMEALYSEG-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529554591 324339703 /nfs/dbraw/zinc/33/97/03/324339703.db2.gz HJPZZTRQZBGCOK-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529554592 324339719 /nfs/dbraw/zinc/33/97/19/324339719.db2.gz HJPZZTRQZBGCOK-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529554593 324339801 /nfs/dbraw/zinc/33/98/01/324339801.db2.gz HJPZZTRQZBGCOK-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CC(F)(F)C1 ZINC000529554594 324339648 /nfs/dbraw/zinc/33/96/48/324339648.db2.gz HJPZZTRQZBGCOK-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000529556284 324340554 /nfs/dbraw/zinc/34/05/54/324340554.db2.gz RVIWYNFFYLUWHQ-DOMZBBRYSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000529556286 324340837 /nfs/dbraw/zinc/34/08/37/324340837.db2.gz RVIWYNFFYLUWHQ-IUODEOHRSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000529556287 324340913 /nfs/dbraw/zinc/34/09/13/324340913.db2.gz RVIWYNFFYLUWHQ-SWLSCSKDSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC000529556288 324340687 /nfs/dbraw/zinc/34/06/87/324340687.db2.gz RVIWYNFFYLUWHQ-WFASDCNBSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1C[C@H](C)N1Cc1ccsc1C(F)(F)F ZINC000529556546 324340667 /nfs/dbraw/zinc/34/06/67/324340667.db2.gz JYXQMUZIGUTION-OCAPTIKFSA-N 1 0 249.301 3.750 20 0 BHADRO C[N@H+](Cc1ccc2cc[nH]c2c1)C1(C)CCCC1 ZINC000529557321 324341979 /nfs/dbraw/zinc/34/19/79/324341979.db2.gz WBZGPNQYLHSOKU-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529558809 324341587 /nfs/dbraw/zinc/34/15/87/324341587.db2.gz TUHKQWUIVJRJLG-GFCCVEGCSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529558812 324341764 /nfs/dbraw/zinc/34/17/64/324341764.db2.gz TUHKQWUIVJRJLG-LBPRGKRZSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529559247 324342580 /nfs/dbraw/zinc/34/25/80/324342580.db2.gz VGWGYIGMANSDKJ-UHFFFAOYSA-N 1 0 240.350 3.710 20 0 BHADRO c1cc2ccc(C[NH+]3CC4(C3)CCCC4)cc2[nH]1 ZINC000529569208 324346426 /nfs/dbraw/zinc/34/64/26/324346426.db2.gz LAIORBKVJHJLOX-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)C1CC(F)(F)C1 ZINC000529584397 324352413 /nfs/dbraw/zinc/35/24/13/324352413.db2.gz ZJGBRFGSGXPBEF-JTQLQIEISA-N 1 0 229.314 3.510 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)C1CC(F)(F)C1 ZINC000529584398 324352274 /nfs/dbraw/zinc/35/22/74/324352274.db2.gz ZJGBRFGSGXPBEF-SNVBAGLBSA-N 1 0 229.314 3.510 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC(F)(F)C1 ZINC000529585235 324352983 /nfs/dbraw/zinc/35/29/83/324352983.db2.gz FNLUHAVVJAIAMJ-GCVQQVDUSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1CC(F)(F)C1 ZINC000529585237 324344460 /nfs/dbraw/zinc/34/44/60/324344460.db2.gz FNLUHAVVJAIAMJ-OIKLOGQESA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529585813 324352970 /nfs/dbraw/zinc/35/29/70/324352970.db2.gz QEXJMDWBCGJYLI-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529585815 324352666 /nfs/dbraw/zinc/35/26/66/324352666.db2.gz QEXJMDWBCGJYLI-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529585816 324352873 /nfs/dbraw/zinc/35/28/73/324352873.db2.gz QEXJMDWBCGJYLI-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000529585818 324352661 /nfs/dbraw/zinc/35/26/61/324352661.db2.gz QEXJMDWBCGJYLI-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529588180 324354033 /nfs/dbraw/zinc/35/40/33/324354033.db2.gz NQXVMKFPHAALGL-GVXVVHGQSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529588183 324354003 /nfs/dbraw/zinc/35/40/03/324354003.db2.gz NQXVMKFPHAALGL-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529588583 324354065 /nfs/dbraw/zinc/35/40/65/324354065.db2.gz GWMKNEJFBJLHKP-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529588584 324354230 /nfs/dbraw/zinc/35/42/30/324354230.db2.gz GWMKNEJFBJLHKP-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529588585 324354117 /nfs/dbraw/zinc/35/41/17/324354117.db2.gz GWMKNEJFBJLHKP-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529588586 324354163 /nfs/dbraw/zinc/35/41/63/324354163.db2.gz GWMKNEJFBJLHKP-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)C1CC(F)(F)C1 ZINC000529589252 324354218 /nfs/dbraw/zinc/35/42/18/324354218.db2.gz YQXJGCICHNSPPK-JTQLQIEISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)C1CC(F)(F)C1 ZINC000529589254 324354045 /nfs/dbraw/zinc/35/40/45/324354045.db2.gz YQXJGCICHNSPPK-SNVBAGLBSA-N 1 0 245.357 3.836 20 0 BHADRO CCC1([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000529589545 324355114 /nfs/dbraw/zinc/35/51/14/324355114.db2.gz VKMBXSBSGWXNLO-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)C1CC(F)(F)C1 ZINC000529591955 324355596 /nfs/dbraw/zinc/35/55/96/324355596.db2.gz NEIUNKHRVQFVRQ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)C1CC(F)(F)C1 ZINC000529591956 324355681 /nfs/dbraw/zinc/35/56/81/324355681.db2.gz NEIUNKHRVQFVRQ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)C1CC(F)(F)C1 ZINC000529593165 324356472 /nfs/dbraw/zinc/35/64/72/324356472.db2.gz YLVBIAWOSYGVDH-JTQLQIEISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)C1CC(F)(F)C1 ZINC000529593166 324356525 /nfs/dbraw/zinc/35/65/25/324356525.db2.gz YLVBIAWOSYGVDH-SNVBAGLBSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000529593181 324356551 /nfs/dbraw/zinc/35/65/51/324356551.db2.gz ZDZFXZSWYWIOLX-SECBINFHSA-N 1 0 245.338 3.580 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529593182 324356637 /nfs/dbraw/zinc/35/66/37/324356637.db2.gz ZDZFXZSWYWIOLX-VIFPVBQESA-N 1 0 245.338 3.580 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCCC1 ZINC000529594450 324357138 /nfs/dbraw/zinc/35/71/38/324357138.db2.gz BMDOWKIFCKPAQE-GWCFXTLKSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCCC1 ZINC000529594451 324357010 /nfs/dbraw/zinc/35/70/10/324357010.db2.gz BMDOWKIFCKPAQE-GXFFZTMASA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C1CCCC1 ZINC000529594452 324357305 /nfs/dbraw/zinc/35/73/05/324357305.db2.gz BMDOWKIFCKPAQE-MFKMUULPSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C1CCCC1 ZINC000529594453 324357254 /nfs/dbraw/zinc/35/72/54/324357254.db2.gz BMDOWKIFCKPAQE-ZWNOBZJWSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)ccn1 ZINC000529595257 324357033 /nfs/dbraw/zinc/35/70/33/324357033.db2.gz GWRQOSGBTNYVBM-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)ccn1 ZINC000529595258 324357192 /nfs/dbraw/zinc/35/71/92/324357192.db2.gz GWRQOSGBTNYVBM-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)ccn1 ZINC000529595259 324357166 /nfs/dbraw/zinc/35/71/66/324357166.db2.gz GWRQOSGBTNYVBM-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)ccn1 ZINC000529595260 324357295 /nfs/dbraw/zinc/35/72/95/324357295.db2.gz GWRQOSGBTNYVBM-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)C1CC(F)(F)C1 ZINC000529597159 324357843 /nfs/dbraw/zinc/35/78/43/324357843.db2.gz UBNWYFIXWAZNER-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCCC1 ZINC000529597160 324357823 /nfs/dbraw/zinc/35/78/23/324357823.db2.gz UBNWYFIXWAZNER-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)C1CC(F)(F)C1 ZINC000529599236 324359236 /nfs/dbraw/zinc/35/92/36/324359236.db2.gz UBNWYFIXWAZNER-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C1CC(F)(F)C1 ZINC000529599237 324359020 /nfs/dbraw/zinc/35/90/20/324359020.db2.gz UBNWYFIXWAZNER-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)C1CC(F)(F)C1 ZINC000529601869 324361124 /nfs/dbraw/zinc/36/11/24/324361124.db2.gz QHUOQCSAYLXYAM-NOZJJQNGSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)C1CC(F)(F)C1 ZINC000529601870 324361066 /nfs/dbraw/zinc/36/10/66/324361066.db2.gz QHUOQCSAYLXYAM-RNCFNFMXSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)C1CC(F)(F)C1 ZINC000529601871 324360879 /nfs/dbraw/zinc/36/08/79/324360879.db2.gz QHUOQCSAYLXYAM-TVQRCGJNSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)C1CC(F)(F)C1 ZINC000529601872 324360818 /nfs/dbraw/zinc/36/08/18/324360818.db2.gz QHUOQCSAYLXYAM-ZANVPECISA-N 1 0 243.341 3.589 20 0 BHADRO CC(C)(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529603846 324361806 /nfs/dbraw/zinc/36/18/06/324361806.db2.gz BKFPBHFQGBBDQS-UHFFFAOYSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529603962 324361564 /nfs/dbraw/zinc/36/15/64/324361564.db2.gz XGZKDHWYPGWKOD-NXEZZACHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529603963 324361649 /nfs/dbraw/zinc/36/16/49/324361649.db2.gz XGZKDHWYPGWKOD-UWVGGRQHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1CC(F)(F)C1 ZINC000529603964 324361607 /nfs/dbraw/zinc/36/16/07/324361607.db2.gz XGZKDHWYPGWKOD-VHSXEESVSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529603965 324361821 /nfs/dbraw/zinc/36/18/21/324361821.db2.gz XGZKDHWYPGWKOD-ZJUUUORDSA-N 1 0 233.346 3.835 20 0 BHADRO C[N@H+](Cc1ccc2cc[nH]c2c1)C1CC(C)(C)C1 ZINC000529606168 355347321 /nfs/dbraw/zinc/34/73/21/355347321.db2.gz TUZHKYTXORWFOA-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCC1 ZINC000529606223 323185023 /nfs/dbraw/zinc/18/50/23/323185023.db2.gz VBCXQGRMTRRLBV-GWCFXTLKSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C1CCC1 ZINC000529606224 323185037 /nfs/dbraw/zinc/18/50/37/323185037.db2.gz VBCXQGRMTRRLBV-GXFFZTMASA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C1CCC1 ZINC000529606225 323185057 /nfs/dbraw/zinc/18/50/57/323185057.db2.gz VBCXQGRMTRRLBV-MFKMUULPSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C1CCC1 ZINC000529606226 323185051 /nfs/dbraw/zinc/18/50/51/323185051.db2.gz VBCXQGRMTRRLBV-ZWNOBZJWSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000529611721 324364561 /nfs/dbraw/zinc/36/45/61/324364561.db2.gz NQKDSGNYLMZMTF-DLOVCJGASA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000529611722 324364483 /nfs/dbraw/zinc/36/44/83/324364483.db2.gz NQKDSGNYLMZMTF-JLLWLGSASA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000529611723 324364444 /nfs/dbraw/zinc/36/44/44/324364444.db2.gz NQKDSGNYLMZMTF-USWWRNFRSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000529611724 324364523 /nfs/dbraw/zinc/36/45/23/324364523.db2.gz NQKDSGNYLMZMTF-WCQGTBRESA-N 1 0 245.357 3.835 20 0 BHADRO c1cc2ccc(C[N@@H+]3CCC34CCCC4)cc2[nH]1 ZINC000529615688 324364373 /nfs/dbraw/zinc/36/43/73/324364373.db2.gz ZAVFHQWOLBUOSA-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO CCC[N@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000529620177 324365779 /nfs/dbraw/zinc/36/57/79/324365779.db2.gz IBPQYLZICVXODH-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000529637457 324367611 /nfs/dbraw/zinc/36/76/11/324367611.db2.gz ALRBPNFUYWDRDY-BARDWOONSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000529637458 324367859 /nfs/dbraw/zinc/36/78/59/324367859.db2.gz ALRBPNFUYWDRDY-KBXIAJHMSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@@H](CC[NH2+]CC1CC=CC1)c1ccccc1 ZINC000529640309 324368793 /nfs/dbraw/zinc/36/87/93/324368793.db2.gz KGGNEXUTZGUMBW-AWEZNQCLSA-N 1 0 229.367 3.736 20 0 BHADRO C[C@H](CC[NH2+]CC1CC=CC1)c1ccccc1 ZINC000529640313 324368808 /nfs/dbraw/zinc/36/88/08/324368808.db2.gz KGGNEXUTZGUMBW-CQSZACIVSA-N 1 0 229.367 3.736 20 0 BHADRO C1=CCC(C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000529641278 324369924 /nfs/dbraw/zinc/36/99/24/324369924.db2.gz OYCVQQBVCCOLIJ-UHFFFAOYSA-N 1 0 219.372 3.655 20 0 BHADRO CC1(c2ccccc2)CC([NH2+]CC2CC=CC2)C1 ZINC000529642224 324369858 /nfs/dbraw/zinc/36/98/58/324369858.db2.gz RXITYPWHKOMIDB-UHFFFAOYSA-N 1 0 241.378 3.663 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CCC1 ZINC000529644552 324370619 /nfs/dbraw/zinc/37/06/19/324370619.db2.gz OSZSSLMDWHJVSB-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CCC1 ZINC000529644553 324370643 /nfs/dbraw/zinc/37/06/43/324370643.db2.gz OSZSSLMDWHJVSB-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CCC1 ZINC000529644554 324370446 /nfs/dbraw/zinc/37/04/46/324370446.db2.gz OSZSSLMDWHJVSB-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CCC1 ZINC000529644555 324370683 /nfs/dbraw/zinc/37/06/83/324370683.db2.gz OSZSSLMDWHJVSB-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529645336 324370616 /nfs/dbraw/zinc/37/06/16/324370616.db2.gz SNPZAEDKLOLNSE-HNNXBMFYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529645337 324370651 /nfs/dbraw/zinc/37/06/51/324370651.db2.gz SNPZAEDKLOLNSE-OAHLLOKOSA-N 1 0 232.371 3.701 20 0 BHADRO C1=CC[C@@H](CC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000529661974 324372689 /nfs/dbraw/zinc/37/26/89/324372689.db2.gz BRZJPMFOOLABGK-CYBMUJFWSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@H](CC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000529661977 324372757 /nfs/dbraw/zinc/37/27/57/324372757.db2.gz BRZJPMFOOLABGK-ZDUSSCGKSA-N 1 0 219.372 3.655 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000529666639 324373537 /nfs/dbraw/zinc/37/35/37/324373537.db2.gz LRQNOPVIZRBERE-APIJFGDWSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000529666640 324373620 /nfs/dbraw/zinc/37/36/20/324373620.db2.gz LRQNOPVIZRBERE-KBXIAJHMSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000529666641 324373189 /nfs/dbraw/zinc/37/31/89/324373189.db2.gz LRQNOPVIZRBERE-LJISPDSOSA-N 1 0 219.372 3.511 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000529666642 324373610 /nfs/dbraw/zinc/37/36/10/324373610.db2.gz LRQNOPVIZRBERE-XGUBFFRZSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ncccc1F)C(C)(C)C ZINC000529690065 324377571 /nfs/dbraw/zinc/37/75/71/324377571.db2.gz SCDIBTOMCFDDAM-MNOVXSKESA-N 1 0 238.350 3.554 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ncccc1F)C(C)(C)C ZINC000529690066 324377510 /nfs/dbraw/zinc/37/75/10/324377510.db2.gz SCDIBTOMCFDDAM-QWRGUYRKSA-N 1 0 238.350 3.554 20 0 BHADRO Cc1[nH+]c2c(n1CC1CC(C)(C)C1)CCCC2 ZINC000530109801 324473045 /nfs/dbraw/zinc/47/30/45/324473045.db2.gz QHYCKQJHMSAUQP-UHFFFAOYSA-N 1 0 232.371 3.507 20 0 BHADRO Cc1ccc(Cn2ccnc2C2CC2)c(Cl)c1 ZINC000530130997 323202742 /nfs/dbraw/zinc/20/27/42/323202742.db2.gz VQJIQXDGLSSXDR-UHFFFAOYSA-N 1 0 246.741 3.771 20 0 BHADRO CCC(C)(C)[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000530278436 388646635 /nfs/dbraw/zinc/64/66/35/388646635.db2.gz LXTYVDKQDNMUQQ-LLVKDONJSA-N 1 0 225.401 3.800 20 0 BHADRO CCC(C)(C)[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000530278437 388646700 /nfs/dbraw/zinc/64/67/00/388646700.db2.gz LXTYVDKQDNMUQQ-NSHDSACASA-N 1 0 225.401 3.800 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccnc2ccccc12 ZINC000530278803 388646812 /nfs/dbraw/zinc/64/68/12/388646812.db2.gz YAIDLEPKXGOQGV-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000530278937 388646652 /nfs/dbraw/zinc/64/66/52/388646652.db2.gz KUVRGOIKQJPHLH-UHFFFAOYSA-N 1 0 223.335 3.755 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000530280976 388647585 /nfs/dbraw/zinc/64/75/85/388647585.db2.gz SZMSLSDCKSDESP-LLVKDONJSA-N 1 0 245.357 3.838 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]CC2(C(F)F)CC2)C1 ZINC000530280977 324573965 /nfs/dbraw/zinc/57/39/65/324573965.db2.gz SZMSLSDCKSDESP-NSHDSACASA-N 1 0 245.357 3.838 20 0 BHADRO CC(C)(C)CC[N@H+](CC1CC1)C1CCC1 ZINC000530281363 388647751 /nfs/dbraw/zinc/64/77/51/388647751.db2.gz UZSKMRVEBZAKGO-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000530329473 388649696 /nfs/dbraw/zinc/64/96/96/388649696.db2.gz QIAUGHBGRPMHDW-LLVKDONJSA-N 1 0 241.325 3.676 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000530329474 324581512 /nfs/dbraw/zinc/58/15/12/324581512.db2.gz QIAUGHBGRPMHDW-NSHDSACASA-N 1 0 241.325 3.676 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)C(C)C ZINC000530329623 388649558 /nfs/dbraw/zinc/64/95/58/388649558.db2.gz KDLROPGVVSGHQG-AWEZNQCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C(C)C ZINC000530329624 388649590 /nfs/dbraw/zinc/64/95/90/388649590.db2.gz KDLROPGVVSGHQG-CQSZACIVSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)OCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000530356083 388652076 /nfs/dbraw/zinc/65/20/76/388652076.db2.gz LDSNINBWJDCTJX-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccoc1 ZINC000530370908 323383172 /nfs/dbraw/zinc/38/31/72/323383172.db2.gz UWKUAQHAUVUZGW-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccoc1 ZINC000530370909 323383156 /nfs/dbraw/zinc/38/31/56/323383156.db2.gz UWKUAQHAUVUZGW-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000530386704 388652628 /nfs/dbraw/zinc/65/26/28/388652628.db2.gz YSQCODMNPHIANE-GXTWGEPZSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC12CCCC2 ZINC000530386705 323384431 /nfs/dbraw/zinc/38/44/31/323384431.db2.gz YSQCODMNPHIANE-JSGCOSHPSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC12CCCC2 ZINC000530386706 323384227 /nfs/dbraw/zinc/38/42/27/323384227.db2.gz YSQCODMNPHIANE-OCCSQVGLSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000530386707 323384202 /nfs/dbraw/zinc/38/42/02/323384202.db2.gz YSQCODMNPHIANE-TZMCWYRMSA-N 1 0 249.423 3.992 20 0 BHADRO CC(C)[N@H+](CCCCOC(C)(C)C)CC1CC1 ZINC000530390736 323384042 /nfs/dbraw/zinc/38/40/42/323384042.db2.gz ZUVVGKRSCCZCQG-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000530399608 388653918 /nfs/dbraw/zinc/65/39/18/388653918.db2.gz JPNPDWRJTFBMSM-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000530399609 324591744 /nfs/dbraw/zinc/59/17/44/324591744.db2.gz JPNPDWRJTFBMSM-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000530399610 324591786 /nfs/dbraw/zinc/59/17/86/324591786.db2.gz JPNPDWRJTFBMSM-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000530399611 388653634 /nfs/dbraw/zinc/65/36/34/388653634.db2.gz JPNPDWRJTFBMSM-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000530413022 388653495 /nfs/dbraw/zinc/65/34/95/388653495.db2.gz HWYPUHKYABLVOV-CYBMUJFWSA-N 1 0 247.382 3.844 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000530413023 324593928 /nfs/dbraw/zinc/59/39/28/324593928.db2.gz HWYPUHKYABLVOV-ZDUSSCGKSA-N 1 0 247.382 3.844 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCSC2)cc1 ZINC000530418471 324594476 /nfs/dbraw/zinc/59/44/76/324594476.db2.gz RFPJCLRXKRGPSU-CABCVRRESA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+][C@H]2CCSC2)cc1 ZINC000530418472 324594001 /nfs/dbraw/zinc/59/40/01/324594001.db2.gz RFPJCLRXKRGPSU-GJZGRUSLSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCSC2)cc1 ZINC000530418473 388653539 /nfs/dbraw/zinc/65/35/39/388653539.db2.gz RFPJCLRXKRGPSU-HUUCEWRRSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCSC2)cc1 ZINC000530418474 324594835 /nfs/dbraw/zinc/59/48/35/324594835.db2.gz RFPJCLRXKRGPSU-LSDHHAIUSA-N 1 0 247.407 3.623 20 0 BHADRO CC(C)[C@H]([NH2+]CCCc1ccccc1F)C1CC1 ZINC000530424135 388655146 /nfs/dbraw/zinc/65/51/46/388655146.db2.gz XMBYAIGHCXQRMP-INIZCTEOSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCc1ccccc1F)C1CC1 ZINC000530424136 388654546 /nfs/dbraw/zinc/65/45/46/388654546.db2.gz XMBYAIGHCXQRMP-MRXNPFEDSA-N 1 0 249.373 3.783 20 0 BHADRO Fc1ccccc1CCC[NH2+]C(C1CC1)C1CC1 ZINC000530424626 324594975 /nfs/dbraw/zinc/59/49/75/324594975.db2.gz WBWYIWIXAQCIPU-UHFFFAOYSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H](c1cccnc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000530461750 342752625 /nfs/dbraw/zinc/75/26/25/342752625.db2.gz AKHFOWATYHFPFJ-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000530461751 342752729 /nfs/dbraw/zinc/75/27/29/342752729.db2.gz AKHFOWATYHFPFJ-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](CC[N@@H+]1CCCSCC1)c1ccccc1 ZINC000530463313 342752430 /nfs/dbraw/zinc/75/24/30/342752430.db2.gz GSPJRZIAGFLPGF-AWEZNQCLSA-N 1 0 249.423 3.619 20 0 BHADRO C[C@H](CC[N@@H+]1CCCSCC1)c1ccccc1 ZINC000530463314 342752340 /nfs/dbraw/zinc/75/23/40/342752340.db2.gz GSPJRZIAGFLPGF-CQSZACIVSA-N 1 0 249.423 3.619 20 0 BHADRO CCC[NH+](CCC)C[C@@H]1CCC2(CCCC2)O1 ZINC000530465634 322814299 /nfs/dbraw/zinc/81/42/99/322814299.db2.gz AQKRTCCBBSTWAO-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[NH+](CCC)C[C@H]1CCC2(CCCC2)O1 ZINC000530465635 384092298 /nfs/dbraw/zinc/09/22/98/384092298.db2.gz AQKRTCCBBSTWAO-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO C([NH2+][C@H]1CCC12CCCC2)C(C1CC1)C1CC1 ZINC000530492690 384150884 /nfs/dbraw/zinc/15/08/84/384150884.db2.gz JKDACMFGOWYHTD-HNNXBMFYSA-N 1 0 233.399 3.735 20 0 BHADRO C([NH2+][C@@H]1CCC12CCCC2)C(C1CC1)C1CC1 ZINC000530492691 322815726 /nfs/dbraw/zinc/81/57/26/322815726.db2.gz JKDACMFGOWYHTD-OAHLLOKOSA-N 1 0 233.399 3.735 20 0 BHADRO COCCCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000530514479 322817368 /nfs/dbraw/zinc/81/73/68/322817368.db2.gz GOTCUNMTOVRHMD-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[N@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000530524884 384453586 /nfs/dbraw/zinc/45/35/86/384453586.db2.gz HTYLWFADHUVYEL-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CCCC[N@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000530524889 384453264 /nfs/dbraw/zinc/45/32/64/384453264.db2.gz HTYLWFADHUVYEL-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000530545505 322844627 /nfs/dbraw/zinc/84/46/27/322844627.db2.gz XBESSJOMODVONH-AWEZNQCLSA-N 1 0 249.423 3.993 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000530545506 384665309 /nfs/dbraw/zinc/66/53/09/384665309.db2.gz XBESSJOMODVONH-CQSZACIVSA-N 1 0 249.423 3.993 20 0 BHADRO C[C@@H]([N@H+](C)CCCCOC(C)(C)C)C(C)(C)C ZINC000530549360 384748048 /nfs/dbraw/zinc/74/80/48/384748048.db2.gz VTDQZGNDOABYGR-CYBMUJFWSA-N 1 0 243.435 3.948 20 0 BHADRO C[C@H]([N@H+](C)CCCCOC(C)(C)C)C(C)(C)C ZINC000530549361 384748761 /nfs/dbraw/zinc/74/87/61/384748761.db2.gz VTDQZGNDOABYGR-ZDUSSCGKSA-N 1 0 243.435 3.948 20 0 BHADRO CC[N@H+](CCc1c(F)cccc1Cl)C(C)C ZINC000530626449 384993553 /nfs/dbraw/zinc/99/35/53/384993553.db2.gz GMSXWYMVKHFEDR-UHFFFAOYSA-N 1 0 243.753 3.752 20 0 BHADRO C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000530662333 385005939 /nfs/dbraw/zinc/00/59/39/385005939.db2.gz KBQJDTNTEKOEGE-DZGCQCFKSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000530662334 385004843 /nfs/dbraw/zinc/00/48/43/385004843.db2.gz KBQJDTNTEKOEGE-HIFRSBDPSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000530662335 385006405 /nfs/dbraw/zinc/00/64/05/385006405.db2.gz KBQJDTNTEKOEGE-UKRRQHHQSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000530662336 385006179 /nfs/dbraw/zinc/00/61/79/385006179.db2.gz KBQJDTNTEKOEGE-ZFWWWQNUSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000530662874 385004866 /nfs/dbraw/zinc/00/48/66/385004866.db2.gz LSNHVYLUEDCCSA-PBHICJAKSA-N 1 0 237.346 3.880 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000530662877 385006372 /nfs/dbraw/zinc/00/63/72/385006372.db2.gz LSNHVYLUEDCCSA-RHSMWYFYSA-N 1 0 237.346 3.880 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000530662878 385006282 /nfs/dbraw/zinc/00/62/82/385006282.db2.gz LSNHVYLUEDCCSA-WMLDXEAASA-N 1 0 237.346 3.880 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000530662879 385005867 /nfs/dbraw/zinc/00/58/67/385005867.db2.gz LSNHVYLUEDCCSA-YOEHRIQHSA-N 1 0 237.346 3.880 20 0 BHADRO CCNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000530676829 385010366 /nfs/dbraw/zinc/01/03/66/385010366.db2.gz QLHRZBFNMOMBDY-UHFFFAOYSA-N 1 0 246.398 3.883 20 0 BHADRO c1ccc2cc(C[N@@H+]3CCC34CCC4)ccc2c1 ZINC000530701679 385019682 /nfs/dbraw/zinc/01/96/82/385019682.db2.gz RBJHWDJOJCLRAG-UHFFFAOYSA-N 1 0 237.346 3.968 20 0 BHADRO COc1cccc([C@@H](C)[NH+]2CCC(C)(C)CC2)c1 ZINC000530708952 322891031 /nfs/dbraw/zinc/89/10/31/322891031.db2.gz PAYRSOMDQFBVRQ-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H](C)[NH+]2CCC(C)(C)CC2)c1 ZINC000530708954 322890991 /nfs/dbraw/zinc/89/09/91/322890991.db2.gz PAYRSOMDQFBVRQ-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CCC1(C[NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000530729167 322891508 /nfs/dbraw/zinc/89/15/08/322891508.db2.gz HOIWXABCAODUCM-KAMYIIQDSA-N 1 0 229.367 3.870 20 0 BHADRO CC1CC([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000530729911 322891609 /nfs/dbraw/zinc/89/16/09/322891609.db2.gz LBYPXBCTWNDLLI-UHFFFAOYSA-N 1 0 241.334 3.835 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000530732529 343200442 /nfs/dbraw/zinc/20/04/42/343200442.db2.gz DHUVTXCICQISKH-KBPBESRZSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000530732530 343200368 /nfs/dbraw/zinc/20/03/68/343200368.db2.gz DHUVTXCICQISKH-OKILXGFUSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000530732531 343200435 /nfs/dbraw/zinc/20/04/35/343200435.db2.gz DHUVTXCICQISKH-ZIAGYGMSSA-N 1 0 247.382 3.562 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]1C ZINC000530732931 343203536 /nfs/dbraw/zinc/20/35/36/343203536.db2.gz BUOOWGXRUIXSNR-HZMBPMFUSA-N 1 0 239.309 3.900 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]1C ZINC000530732935 343203510 /nfs/dbraw/zinc/20/35/10/343203510.db2.gz BUOOWGXRUIXSNR-IINYFYTJSA-N 1 0 239.309 3.900 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]1C ZINC000530732936 343203516 /nfs/dbraw/zinc/20/35/16/343203516.db2.gz BUOOWGXRUIXSNR-QMTHXVAHSA-N 1 0 239.309 3.900 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]1C ZINC000530732937 343203554 /nfs/dbraw/zinc/20/35/54/343203554.db2.gz BUOOWGXRUIXSNR-YGRLFVJLSA-N 1 0 239.309 3.900 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000530732980 343203592 /nfs/dbraw/zinc/20/35/92/343203592.db2.gz XZPXEVLJLLEUNW-CYBMUJFWSA-N 1 0 225.335 3.824 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000530732981 343203532 /nfs/dbraw/zinc/20/35/32/343203532.db2.gz XZPXEVLJLLEUNW-ZDUSSCGKSA-N 1 0 225.335 3.824 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccccc2Cl)[C@@H]1C ZINC000530733118 343204279 /nfs/dbraw/zinc/20/42/79/343204279.db2.gz CLLMDETWIUYUFK-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000530733121 343204604 /nfs/dbraw/zinc/20/46/04/343204604.db2.gz CLLMDETWIUYUFK-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000530733122 343204861 /nfs/dbraw/zinc/20/48/61/343204861.db2.gz CLLMDETWIUYUFK-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1Cl ZINC000530733123 343204968 /nfs/dbraw/zinc/20/49/68/343204968.db2.gz CLLMDETWIUYUFK-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1C ZINC000530733603 343207289 /nfs/dbraw/zinc/20/72/89/343207289.db2.gz ZSCMIDQJQKGWBQ-GHMZBOCLSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1C ZINC000530733605 343207218 /nfs/dbraw/zinc/20/72/18/343207218.db2.gz ZSCMIDQJQKGWBQ-MNOVXSKESA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1C ZINC000530733607 343207281 /nfs/dbraw/zinc/20/72/81/343207281.db2.gz ZSCMIDQJQKGWBQ-QWRGUYRKSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1C ZINC000530733608 343207263 /nfs/dbraw/zinc/20/72/63/343207263.db2.gz ZSCMIDQJQKGWBQ-WDEREUQCSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccccc1Cl)C1(C)CC1 ZINC000530754618 385042882 /nfs/dbraw/zinc/04/28/82/385042882.db2.gz ATOZCEQDQLOPFM-LLVKDONJSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccccc1Cl)C1(C)CC1 ZINC000530754620 385042626 /nfs/dbraw/zinc/04/26/26/385042626.db2.gz ATOZCEQDQLOPFM-NSHDSACASA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(Cl)c1)C1(C)CC1 ZINC000530754636 385043929 /nfs/dbraw/zinc/04/39/29/385043929.db2.gz KLVCOZHVDXHWOX-LLVKDONJSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(Cl)c1)C1(C)CC1 ZINC000530754637 385042585 /nfs/dbraw/zinc/04/25/85/385042585.db2.gz KLVCOZHVDXHWOX-NSHDSACASA-N 1 0 237.774 3.960 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000530754673 385044084 /nfs/dbraw/zinc/04/40/84/385044084.db2.gz WNZMTHGLDBKNJD-KBPBESRZSA-N 1 0 239.428 3.537 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000530754674 385042829 /nfs/dbraw/zinc/04/28/29/385042829.db2.gz WNZMTHGLDBKNJD-KGLIPLIRSA-N 1 0 239.428 3.537 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000530754675 385044689 /nfs/dbraw/zinc/04/46/89/385044689.db2.gz WNZMTHGLDBKNJD-UONOGXRCSA-N 1 0 239.428 3.537 20 0 BHADRO C(C1CCCC1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000530754676 385044731 /nfs/dbraw/zinc/04/47/31/385044731.db2.gz WNZMTHGLDBKNJD-ZIAGYGMSSA-N 1 0 239.428 3.537 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(F)ccc1F ZINC000530756196 385042956 /nfs/dbraw/zinc/04/29/56/385042956.db2.gz KMNHAFKXUHCDSX-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C(C)(C)C1 ZINC000530756734 385047677 /nfs/dbraw/zinc/04/76/77/385047677.db2.gz USERABIHACQUEX-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[N@H+](Cc2cc(F)ccc2F)C(C)(C)C1 ZINC000530756735 385046844 /nfs/dbraw/zinc/04/68/44/385046844.db2.gz USERABIHACQUEX-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cc(OC/C=C/c2ccccc2)cc(C)[nH+]1 ZINC000530770116 385049896 /nfs/dbraw/zinc/04/98/96/385049896.db2.gz QVEKKTGJEWYKFG-RMKNXTFCSA-N 1 0 239.318 3.791 20 0 BHADRO Cc1cc(OC/C=C\c2ccccc2)cc(C)[nH+]1 ZINC000530770117 322893360 /nfs/dbraw/zinc/89/33/60/322893360.db2.gz QVEKKTGJEWYKFG-TWGQIWQCSA-N 1 0 239.318 3.791 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000530772441 385047425 /nfs/dbraw/zinc/04/74/25/385047425.db2.gz OOFGUCUAGXFRHN-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000530772442 385047004 /nfs/dbraw/zinc/04/70/04/385047004.db2.gz OOFGUCUAGXFRHN-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]Cc1cc[nH]c1 ZINC000530779965 385054621 /nfs/dbraw/zinc/05/46/21/385054621.db2.gz PSMRBYHHUXGFNP-CYBMUJFWSA-N 1 0 234.387 3.853 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1cc[nH]c1 ZINC000530779967 385053638 /nfs/dbraw/zinc/05/36/38/385053638.db2.gz PSMRBYHHUXGFNP-ZDUSSCGKSA-N 1 0 234.387 3.853 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H](C)C1CCCCC1 ZINC000530780021 385053730 /nfs/dbraw/zinc/05/37/30/385053730.db2.gz NAWPHSLIDMZABI-CHWSQXEVSA-N 1 0 234.387 3.709 20 0 BHADRO C[C@H]([NH2+]Cc1cc[nH]c1)[C@@H](C)C1CCCCC1 ZINC000530780023 322893778 /nfs/dbraw/zinc/89/37/78/322893778.db2.gz NAWPHSLIDMZABI-OLZOCXBDSA-N 1 0 234.387 3.709 20 0 BHADRO C[C@@H]([NH2+]Cc1cc[nH]c1)[C@H](C)C1CCCCC1 ZINC000530780024 385055074 /nfs/dbraw/zinc/05/50/74/385055074.db2.gz NAWPHSLIDMZABI-QWHCGFSZSA-N 1 0 234.387 3.709 20 0 BHADRO C[C@@H]([C@H](C)[NH2+]Cc1cc[nH]c1)C1CCCCC1 ZINC000530780026 322893685 /nfs/dbraw/zinc/89/36/85/322893685.db2.gz NAWPHSLIDMZABI-STQMWFEESA-N 1 0 234.387 3.709 20 0 BHADRO Fc1ccc(C2([NH2+]Cc3ccccc3)CC2)cc1 ZINC000530858629 322896629 /nfs/dbraw/zinc/89/66/29/322896629.db2.gz UNYUKLNXODXXQM-UHFFFAOYSA-N 1 0 241.309 3.605 20 0 BHADRO CC[N@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000530865752 385115179 /nfs/dbraw/zinc/11/51/79/385115179.db2.gz CVALHMJLXONHSI-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000530866123 385115381 /nfs/dbraw/zinc/11/53/81/385115381.db2.gz LOUHKIQRRWGUQC-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000530866124 385113906 /nfs/dbraw/zinc/11/39/06/385113906.db2.gz LOUHKIQRRWGUQC-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)C[N@H+](C)CCc1c(F)cccc1Cl ZINC000530867063 385117369 /nfs/dbraw/zinc/11/73/69/385117369.db2.gz BYFVXTFBZBWKCT-UHFFFAOYSA-N 1 0 243.753 3.609 20 0 BHADRO Fc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000530901962 385157575 /nfs/dbraw/zinc/15/75/75/385157575.db2.gz NFOHLAHLRKIESB-INIZCTEOSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000530901965 385156861 /nfs/dbraw/zinc/15/68/61/385156861.db2.gz NFOHLAHLRKIESB-MRXNPFEDSA-N 1 0 241.309 3.773 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(OC)c1 ZINC000530901992 385157724 /nfs/dbraw/zinc/15/77/24/385157724.db2.gz PJXCDBHWQJLWKJ-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cccc(OC)c1 ZINC000530901993 385157557 /nfs/dbraw/zinc/15/75/57/385157557.db2.gz PJXCDBHWQJLWKJ-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2CC2CCCC2)cc1 ZINC000530902119 385156804 /nfs/dbraw/zinc/15/68/04/385156804.db2.gz GGJLSNJFSNRJAC-HNNXBMFYSA-N 1 0 215.340 3.624 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2CC2CCCC2)cc1 ZINC000530902122 385158490 /nfs/dbraw/zinc/15/84/90/385158490.db2.gz GGJLSNJFSNRJAC-OAHLLOKOSA-N 1 0 215.340 3.624 20 0 BHADRO CCC(CC)[N@H+](CCOC(C)C)CC(C)C ZINC000530902427 385158175 /nfs/dbraw/zinc/15/81/75/385158175.db2.gz VSGPWAZOWVXLHV-UHFFFAOYSA-N 1 0 229.408 3.558 20 0 BHADRO CCCCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000530904826 322898077 /nfs/dbraw/zinc/89/80/77/322898077.db2.gz BLRFUTCTDDJXCI-UHFFFAOYSA-N 1 0 248.414 3.932 20 0 BHADRO CCC1CCC([N@H+](C)CCCCCOC)CC1 ZINC000530905558 385162910 /nfs/dbraw/zinc/16/29/10/385162910.db2.gz FZXLVYJHZHADEP-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000530913268 322898414 /nfs/dbraw/zinc/89/84/14/322898414.db2.gz KCNUEYNSZGGCPD-AWEZNQCLSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000530913275 322898462 /nfs/dbraw/zinc/89/84/62/322898462.db2.gz KCNUEYNSZGGCPD-CQSZACIVSA-N 1 0 249.423 3.653 20 0 BHADRO Cc1cc2cc(C[NH2+]C3CCC3)oc2cc1C ZINC000530915420 322898495 /nfs/dbraw/zinc/89/84/95/322898495.db2.gz ZDDQXHJXTHQJPV-UHFFFAOYSA-N 1 0 229.323 3.692 20 0 BHADRO CC(C)OC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000530926060 322899031 /nfs/dbraw/zinc/89/90/31/322899031.db2.gz BQBFRZPYMYFPRL-AWEZNQCLSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)OC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000530926061 385172217 /nfs/dbraw/zinc/17/22/17/385172217.db2.gz BQBFRZPYMYFPRL-CQSZACIVSA-N 1 0 247.382 3.637 20 0 BHADRO C(=C/c1ccccc1)\C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000530939614 385178985 /nfs/dbraw/zinc/17/89/85/385178985.db2.gz GLQMKNVKLGCYAW-DQCUJPBYSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000530939615 322899181 /nfs/dbraw/zinc/89/91/81/322899181.db2.gz GLQMKNVKLGCYAW-GCZRAQGHSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000530939616 322899284 /nfs/dbraw/zinc/89/92/84/322899284.db2.gz GLQMKNVKLGCYAW-ICHOQEBTSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C\c1ccccc1)\C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000530939617 385179009 /nfs/dbraw/zinc/17/90/09/385179009.db2.gz GLQMKNVKLGCYAW-IWDVQSJBSA-N 1 0 241.378 3.822 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000530961007 384187293 /nfs/dbraw/zinc/18/72/93/384187293.db2.gz QXPPOXNMPIHWFQ-HNNXBMFYSA-N 1 0 217.356 3.932 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000530961008 384187841 /nfs/dbraw/zinc/18/78/41/384187841.db2.gz QXPPOXNMPIHWFQ-OAHLLOKOSA-N 1 0 217.356 3.932 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2CCC2CCCC2)nc1 ZINC000530963176 384192677 /nfs/dbraw/zinc/19/26/77/384192677.db2.gz WMAKUTRMQVLNKR-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2CCC2CCCC2)nc1 ZINC000530963177 384192896 /nfs/dbraw/zinc/19/28/96/384192896.db2.gz WMAKUTRMQVLNKR-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO CCSCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000530963879 384213280 /nfs/dbraw/zinc/21/32/80/384213280.db2.gz NLDPCHANQFDCPJ-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000530963880 384218040 /nfs/dbraw/zinc/21/80/40/384218040.db2.gz NLDPCHANQFDCPJ-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000530963881 384216593 /nfs/dbraw/zinc/21/65/93/384216593.db2.gz NLDPCHANQFDCPJ-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000530963882 384217409 /nfs/dbraw/zinc/21/74/09/384217409.db2.gz NLDPCHANQFDCPJ-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000530964019 343438969 /nfs/dbraw/zinc/43/89/69/343438969.db2.gz RNCBNAWNYFIZEW-GDBMZVCRSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000530964020 343439098 /nfs/dbraw/zinc/43/90/98/343439098.db2.gz RNCBNAWNYFIZEW-GOEBONIOSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000530964021 343439090 /nfs/dbraw/zinc/43/90/90/343439090.db2.gz RNCBNAWNYFIZEW-HOCLYGCPSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)=CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000530964022 343439074 /nfs/dbraw/zinc/43/90/74/343439074.db2.gz RNCBNAWNYFIZEW-ZBFHGGJFSA-N 1 0 229.367 3.831 20 0 BHADRO CC(C)COc1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000530967785 322914138 /nfs/dbraw/zinc/91/41/38/322914138.db2.gz JHOFAGWAMYMDFO-UHFFFAOYSA-N 1 0 247.382 3.611 20 0 BHADRO Fc1ccc(C2([NH2+]Cc3cccs3)CC2)cc1 ZINC000530968129 322914916 /nfs/dbraw/zinc/91/49/16/322914916.db2.gz MVXQJXSCRPZBEN-UHFFFAOYSA-N 1 0 247.338 3.666 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CC1(C)CCC1 ZINC000530968559 384438326 /nfs/dbraw/zinc/43/83/26/384438326.db2.gz KNKNRFADZAYNJL-SDNWHVSQSA-N 1 0 229.367 3.870 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000530971784 384555838 /nfs/dbraw/zinc/55/58/38/384555838.db2.gz FFZGLTRNHOSSHW-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000530971793 384557797 /nfs/dbraw/zinc/55/77/97/384557797.db2.gz FFZGLTRNHOSSHW-KGLIPLIRSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000530971794 384556965 /nfs/dbraw/zinc/55/69/65/384556965.db2.gz FFZGLTRNHOSSHW-UONOGXRCSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000530971795 384558133 /nfs/dbraw/zinc/55/81/33/384558133.db2.gz FFZGLTRNHOSSHW-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000530975640 384847989 /nfs/dbraw/zinc/84/79/89/384847989.db2.gz OZGSLYDNAWRUOD-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000530975641 384844933 /nfs/dbraw/zinc/84/49/33/384844933.db2.gz OZGSLYDNAWRUOD-KGLIPLIRSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000530975642 384847525 /nfs/dbraw/zinc/84/75/25/384847525.db2.gz OZGSLYDNAWRUOD-UONOGXRCSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000530975643 384846129 /nfs/dbraw/zinc/84/61/29/384846129.db2.gz OZGSLYDNAWRUOD-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC000530976016 384869688 /nfs/dbraw/zinc/86/96/88/384869688.db2.gz KWEWMXZAYKDZJF-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000530976017 384868584 /nfs/dbraw/zinc/86/85/84/384868584.db2.gz KWEWMXZAYKDZJF-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000530976018 384870695 /nfs/dbraw/zinc/87/06/95/384870695.db2.gz KWEWMXZAYKDZJF-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000530976019 384870557 /nfs/dbraw/zinc/87/05/57/384870557.db2.gz KWEWMXZAYKDZJF-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(Cl)cc1)C1(C)CC1 ZINC000530992668 384303566 /nfs/dbraw/zinc/30/35/66/384303566.db2.gz PRUHUIAXLFRTGN-LLVKDONJSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(Cl)cc1)C1(C)CC1 ZINC000530992669 384302778 /nfs/dbraw/zinc/30/27/78/384302778.db2.gz PRUHUIAXLFRTGN-NSHDSACASA-N 1 0 237.774 3.960 20 0 BHADRO c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000530992757 384302541 /nfs/dbraw/zinc/30/25/41/384302541.db2.gz IJQMZPLCUQTPOZ-CABCVRRESA-N 1 0 247.407 3.547 20 0 BHADRO c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000530992758 384302213 /nfs/dbraw/zinc/30/22/13/384302213.db2.gz IJQMZPLCUQTPOZ-GJZGRUSLSA-N 1 0 247.407 3.547 20 0 BHADRO c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000530992759 384302756 /nfs/dbraw/zinc/30/27/56/384302756.db2.gz IJQMZPLCUQTPOZ-HUUCEWRRSA-N 1 0 247.407 3.547 20 0 BHADRO c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000530992760 384302112 /nfs/dbraw/zinc/30/21/12/384302112.db2.gz IJQMZPLCUQTPOZ-LSDHHAIUSA-N 1 0 247.407 3.547 20 0 BHADRO Cc1ccccc1CCC[NH+]1C2CCC1CC2 ZINC000531001201 398272181 /nfs/dbraw/zinc/27/21/81/398272181.db2.gz IESHNPYBMSVQTI-UHFFFAOYSA-N 1 0 229.367 3.554 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+]CC1CCCCCC1 ZINC000531011936 384653980 /nfs/dbraw/zinc/65/39/80/384653980.db2.gz KCWPIZQHMYTSEC-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+]CC1CCCCCC1 ZINC000531011937 384654334 /nfs/dbraw/zinc/65/43/34/384654334.db2.gz KCWPIZQHMYTSEC-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1cc[nH]c1)C(C)(C)C ZINC000531017864 384661875 /nfs/dbraw/zinc/66/18/75/384661875.db2.gz AOHHDOBZSDNSQG-AWEZNQCLSA-N 1 0 236.403 3.955 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1cc[nH]c1)C(C)(C)C ZINC000531017865 384662309 /nfs/dbraw/zinc/66/23/09/384662309.db2.gz AOHHDOBZSDNSQG-CQSZACIVSA-N 1 0 236.403 3.955 20 0 BHADRO C[NH+](C)CCSCc1cccc2ccccc21 ZINC000531032938 384678765 /nfs/dbraw/zinc/67/87/65/384678765.db2.gz YLIWBPHTGGHCQH-UHFFFAOYSA-N 1 0 245.391 3.635 20 0 BHADRO CCCC[N@H+](CCc1ccc(OC)cc1)C1CC1 ZINC000531104085 384948295 /nfs/dbraw/zinc/94/82/95/384948295.db2.gz BZMNYTFLLAZBEG-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000531104518 344480327 /nfs/dbraw/zinc/48/03/27/344480327.db2.gz GQYDRDNLSUZQBQ-DOMZBBRYSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000531104531 344480102 /nfs/dbraw/zinc/48/01/02/344480102.db2.gz GQYDRDNLSUZQBQ-IUODEOHRSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000531104532 344480204 /nfs/dbraw/zinc/48/02/04/344480204.db2.gz GQYDRDNLSUZQBQ-SWLSCSKDSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000531104533 344480043 /nfs/dbraw/zinc/48/00/43/344480043.db2.gz GQYDRDNLSUZQBQ-WFASDCNBSA-N 1 0 235.346 3.865 20 0 BHADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000531104599 344480340 /nfs/dbraw/zinc/48/03/40/344480340.db2.gz KSPFTMYQDOIHOJ-INIZCTEOSA-N 1 0 246.398 3.742 20 0 BHADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000531104601 344480145 /nfs/dbraw/zinc/48/01/45/344480145.db2.gz KSPFTMYQDOIHOJ-MRXNPFEDSA-N 1 0 246.398 3.742 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1cccc(O)c1 ZINC000531140001 323047697 /nfs/dbraw/zinc/04/76/97/323047697.db2.gz RIKJZQYSMXRHDJ-UHFFFAOYSA-N 1 0 235.371 3.650 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000531140045 323048022 /nfs/dbraw/zinc/04/80/22/323048022.db2.gz ZHKMIKDOEOGSHG-CYBMUJFWSA-N 1 0 215.340 3.572 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000531140046 323048049 /nfs/dbraw/zinc/04/80/49/323048049.db2.gz ZHKMIKDOEOGSHG-ZDUSSCGKSA-N 1 0 215.340 3.572 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000531140198 323049310 /nfs/dbraw/zinc/04/93/10/323049310.db2.gz YWQAKWKBIJGUQX-AWEZNQCLSA-N 1 0 217.356 3.870 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000531140203 323049259 /nfs/dbraw/zinc/04/92/59/323049259.db2.gz YWQAKWKBIJGUQX-CQSZACIVSA-N 1 0 217.356 3.870 20 0 BHADRO CCC1CCC([N@H+](C)CCCOC(C)C)CC1 ZINC000531142978 323069517 /nfs/dbraw/zinc/06/95/17/323069517.db2.gz RHOXIEPMVZEYAL-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531201383 323085295 /nfs/dbraw/zinc/08/52/95/323085295.db2.gz LWSNMQWBIQFRMP-AWEZNQCLSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201384 323085174 /nfs/dbraw/zinc/08/51/74/323085174.db2.gz LWSNMQWBIQFRMP-CQSZACIVSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000531202493 323085172 /nfs/dbraw/zinc/08/51/72/323085172.db2.gz FQUARRMDEVQJKT-DZGCQCFKSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000531202494 323085163 /nfs/dbraw/zinc/08/51/63/323085163.db2.gz FQUARRMDEVQJKT-HIFRSBDPSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000531202495 323085186 /nfs/dbraw/zinc/08/51/86/323085186.db2.gz FQUARRMDEVQJKT-UKRRQHHQSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000531202496 323085213 /nfs/dbraw/zinc/08/52/13/323085213.db2.gz FQUARRMDEVQJKT-ZFWWWQNUSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000531210213 347784120 /nfs/dbraw/zinc/78/41/20/347784120.db2.gz AVWLPLGFXPLZKT-KBPBESRZSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000531210214 347784132 /nfs/dbraw/zinc/78/41/32/347784132.db2.gz AVWLPLGFXPLZKT-OKILXGFUSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000531210215 347784099 /nfs/dbraw/zinc/78/40/99/347784099.db2.gz AVWLPLGFXPLZKT-ZIAGYGMSSA-N 1 0 247.382 3.562 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000531210805 347788896 /nfs/dbraw/zinc/78/88/96/347788896.db2.gz UXQXCIIFXSCWJR-KFWWJZLASA-N 1 0 231.383 3.596 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000531210813 347788810 /nfs/dbraw/zinc/78/88/10/347788810.db2.gz UXQXCIIFXSCWJR-QLFBSQMISA-N 1 0 231.383 3.596 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000531210814 347788861 /nfs/dbraw/zinc/78/88/61/347788861.db2.gz UXQXCIIFXSCWJR-RBSFLKMASA-N 1 0 231.383 3.596 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000531210816 347788864 /nfs/dbraw/zinc/78/88/64/347788864.db2.gz UXQXCIIFXSCWJR-ZNMIVQPWSA-N 1 0 231.383 3.596 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000531214356 347791894 /nfs/dbraw/zinc/79/18/94/347791894.db2.gz YROLUWMQVIFDOJ-ILXRZTDVSA-N 1 0 231.383 3.738 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000531214357 347792200 /nfs/dbraw/zinc/79/22/00/347792200.db2.gz YROLUWMQVIFDOJ-KFWWJZLASA-N 1 0 231.383 3.738 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000531214358 347792064 /nfs/dbraw/zinc/79/20/64/347792064.db2.gz YROLUWMQVIFDOJ-QLFBSQMISA-N 1 0 231.383 3.738 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000531214359 347792257 /nfs/dbraw/zinc/79/22/57/347792257.db2.gz YROLUWMQVIFDOJ-RBSFLKMASA-N 1 0 231.383 3.738 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000531231101 323086072 /nfs/dbraw/zinc/08/60/72/323086072.db2.gz LZCNPDKZWXIRIK-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000531231104 323086040 /nfs/dbraw/zinc/08/60/40/323086040.db2.gz LZCNPDKZWXIRIK-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000531231106 323086012 /nfs/dbraw/zinc/08/60/12/323086012.db2.gz LZCNPDKZWXIRIK-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000531231107 323086078 /nfs/dbraw/zinc/08/60/78/323086078.db2.gz LZCNPDKZWXIRIK-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000531233134 323086171 /nfs/dbraw/zinc/08/61/71/323086171.db2.gz FBBCHOAVJJJTSJ-GWCFXTLKSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000531233143 323086190 /nfs/dbraw/zinc/08/61/90/323086190.db2.gz FBBCHOAVJJJTSJ-GXFFZTMASA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000531233146 323086221 /nfs/dbraw/zinc/08/62/21/323086221.db2.gz FBBCHOAVJJJTSJ-MFKMUULPSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000531233149 323086161 /nfs/dbraw/zinc/08/61/61/323086161.db2.gz FBBCHOAVJJJTSJ-ZWNOBZJWSA-N 1 0 239.309 3.585 20 0 BHADRO CC1(C)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000531233216 323086181 /nfs/dbraw/zinc/08/61/81/323086181.db2.gz PPPVNSVQIMVWTF-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCC[NH+](CCC)Cc1cc(F)ccc1F ZINC000531233461 323086150 /nfs/dbraw/zinc/08/61/50/323086150.db2.gz XCBQKRXXSMIOKK-UHFFFAOYSA-N 1 0 227.298 3.587 20 0 BHADRO Cc1cccc(COc2cc(C)[nH+]c(C)c2)c1 ZINC000531247129 347867385 /nfs/dbraw/zinc/86/73/85/347867385.db2.gz UWQVBJWLGAMISZ-UHFFFAOYSA-N 1 0 227.307 3.586 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)cc1F ZINC000531249385 347871456 /nfs/dbraw/zinc/87/14/56/347871456.db2.gz TZSDNTKHSAYQIF-GWCFXTLKSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)cc1F ZINC000531249388 347871599 /nfs/dbraw/zinc/87/15/99/347871599.db2.gz TZSDNTKHSAYQIF-GXFFZTMASA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1F ZINC000531249389 347871365 /nfs/dbraw/zinc/87/13/65/347871365.db2.gz TZSDNTKHSAYQIF-MFKMUULPSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1F ZINC000531249395 323086513 /nfs/dbraw/zinc/08/65/13/323086513.db2.gz TZSDNTKHSAYQIF-ZWNOBZJWSA-N 1 0 239.309 3.585 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000531267424 323086808 /nfs/dbraw/zinc/08/68/08/323086808.db2.gz VEOSPRCOUIIINV-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000531267425 323086900 /nfs/dbraw/zinc/08/69/00/323086900.db2.gz VEOSPRCOUIIINV-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000531267426 323086856 /nfs/dbraw/zinc/08/68/56/323086856.db2.gz VEOSPRCOUIIINV-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000531267427 323086828 /nfs/dbraw/zinc/08/68/28/323086828.db2.gz VEOSPRCOUIIINV-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C(C)(C)C1 ZINC000531342216 323087664 /nfs/dbraw/zinc/08/76/64/323087664.db2.gz RCKZEFLWGWVBKW-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccc(F)c2F)C(C)(C)C1 ZINC000531342217 323087631 /nfs/dbraw/zinc/08/76/31/323087631.db2.gz RCKZEFLWGWVBKW-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO CCC(C)(C)CC[NH+]1CCC(OC(C)C)CC1 ZINC000531402228 348626228 /nfs/dbraw/zinc/62/62/28/348626228.db2.gz QSPXLPZBSCZFPE-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO c1ccc2c(c1)cccc2C[N@@H+]1CCC12CCC2 ZINC000531416800 323089021 /nfs/dbraw/zinc/08/90/21/323089021.db2.gz GJMJQDFSQVUIEN-UHFFFAOYSA-N 1 0 237.346 3.968 20 0 BHADRO Cc1ccccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000531416820 323089001 /nfs/dbraw/zinc/08/90/01/323089001.db2.gz ITAGDGRXCBQCAX-HOTGVXAUSA-N 1 0 229.367 3.617 20 0 BHADRO Cc1ccccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000531416821 323089073 /nfs/dbraw/zinc/08/90/73/323089073.db2.gz ITAGDGRXCBQCAX-HZPDHXFCSA-N 1 0 229.367 3.617 20 0 BHADRO Cc1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000531416822 323088949 /nfs/dbraw/zinc/08/89/49/323088949.db2.gz ITAGDGRXCBQCAX-IYBDPMFKSA-N 1 0 229.367 3.617 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC23CCC3)c(C)c1 ZINC000531416825 323089011 /nfs/dbraw/zinc/08/90/11/323089011.db2.gz JOQRXBNQQIYCHO-UHFFFAOYSA-N 1 0 229.367 3.740 20 0 BHADRO C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000531417072 323088952 /nfs/dbraw/zinc/08/89/52/323088952.db2.gz MFYYUNXSMLXBES-BMFZPTHFSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000531417073 323089043 /nfs/dbraw/zinc/08/90/43/323089043.db2.gz MFYYUNXSMLXBES-CWRNSKLLSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000531417074 323089055 /nfs/dbraw/zinc/08/90/55/323089055.db2.gz MFYYUNXSMLXBES-FVQBIDKESA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000531417075 323088965 /nfs/dbraw/zinc/08/89/65/323088965.db2.gz MFYYUNXSMLXBES-KBMXLJTQSA-N 1 0 229.367 3.870 20 0 BHADRO CC1(C)C[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000531441180 323089906 /nfs/dbraw/zinc/08/99/06/323089906.db2.gz RIBDXPDAHLEKFV-RMKNXTFCSA-N 1 0 247.407 3.527 20 0 BHADRO CC1(C)C[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000531441187 323089879 /nfs/dbraw/zinc/08/98/79/323089879.db2.gz RIBDXPDAHLEKFV-TWGQIWQCSA-N 1 0 247.407 3.527 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000531441498 323089995 /nfs/dbraw/zinc/08/99/95/323089995.db2.gz VTNVVZYZZZVHPF-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC000531452989 323091402 /nfs/dbraw/zinc/09/14/02/323091402.db2.gz JRMZNXFGYHTOSS-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000531452990 323091421 /nfs/dbraw/zinc/09/14/21/323091421.db2.gz JRMZNXFGYHTOSS-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000531452991 323091373 /nfs/dbraw/zinc/09/13/73/323091373.db2.gz JRMZNXFGYHTOSS-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000531452992 323091387 /nfs/dbraw/zinc/09/13/87/323091387.db2.gz JRMZNXFGYHTOSS-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]([N@H+](C)C/C=C/c1ccccc1)C1(C)CC1 ZINC000531470121 323097852 /nfs/dbraw/zinc/09/78/52/323097852.db2.gz LJYYTCXHQRRPHH-DNGMOHDESA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]([N@H+](C)C/C=C\c1ccccc1)C1(C)CC1 ZINC000531470122 323097802 /nfs/dbraw/zinc/09/78/02/323097802.db2.gz LJYYTCXHQRRPHH-JKEYDSJLSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@H]([N@H+](C)C/C=C/c1ccccc1)C1(C)CC1 ZINC000531470128 323097845 /nfs/dbraw/zinc/09/78/45/323097845.db2.gz LJYYTCXHQRRPHH-RNVIBTMRSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@H]([N@H+](C)C/C=C\c1ccccc1)C1(C)CC1 ZINC000531470129 323097876 /nfs/dbraw/zinc/09/78/76/323097876.db2.gz LJYYTCXHQRRPHH-YHAOYDPOSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000531470251 323097785 /nfs/dbraw/zinc/09/77/85/323097785.db2.gz PGKMNRPXXIIKJB-GFCCVEGCSA-N 1 0 237.774 3.614 20 0 BHADRO C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000531470252 323097790 /nfs/dbraw/zinc/09/77/90/323097790.db2.gz PGKMNRPXXIIKJB-LBPRGKRZSA-N 1 0 237.774 3.614 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C)C1 ZINC000531470280 323097807 /nfs/dbraw/zinc/09/78/07/323097807.db2.gz ZKIKPRZJERAMDO-HZMBPMFUSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C)C1 ZINC000531470281 323097828 /nfs/dbraw/zinc/09/78/28/323097828.db2.gz ZKIKPRZJERAMDO-IINYFYTJSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)C1 ZINC000531470282 323097832 /nfs/dbraw/zinc/09/78/32/323097832.db2.gz ZKIKPRZJERAMDO-QMTHXVAHSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)C1 ZINC000531470283 323097819 /nfs/dbraw/zinc/09/78/19/323097819.db2.gz ZKIKPRZJERAMDO-YGRLFVJLSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H]([N@H+](C)CC1CCCCC1)C1(C)CC1 ZINC000531470389 323097795 /nfs/dbraw/zinc/09/77/95/323097795.db2.gz OVNPCXOSLVRTPZ-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]([N@H+](C)CC1CCCCC1)C1(C)CC1 ZINC000531470390 323097835 /nfs/dbraw/zinc/09/78/35/323097835.db2.gz OVNPCXOSLVRTPZ-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[N@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000531472197 323097885 /nfs/dbraw/zinc/09/78/85/323097885.db2.gz MQQKYCQJNJLNSQ-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CC1(C)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000531488063 323098518 /nfs/dbraw/zinc/09/85/18/323098518.db2.gz WWKRZJDHIKJRHW-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccc(CC[NH2+]CC2CCCCCC2)o1 ZINC000531490215 323098580 /nfs/dbraw/zinc/09/85/80/323098580.db2.gz PJUNIIFFHMASGZ-UHFFFAOYSA-N 1 0 235.371 3.691 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc[nH]c1)C1CCCCC1 ZINC000531495602 350431118 /nfs/dbraw/zinc/43/11/18/350431118.db2.gz LADODCMEKBXJDI-HNNXBMFYSA-N 1 0 234.387 3.853 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc[nH]c1)C1CCCCC1 ZINC000531495603 350431249 /nfs/dbraw/zinc/43/12/49/350431249.db2.gz LADODCMEKBXJDI-OAHLLOKOSA-N 1 0 234.387 3.853 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000531528279 323109448 /nfs/dbraw/zinc/10/94/48/323109448.db2.gz HOSFXLNKSYYHBI-LLVKDONJSA-N 1 0 223.747 3.572 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000531528287 323109536 /nfs/dbraw/zinc/10/95/36/323109536.db2.gz HOSFXLNKSYYHBI-NSHDSACASA-N 1 0 223.747 3.572 20 0 BHADRO C[N@H+](CCOCc1ccccc1)CCC(C)(C)C ZINC000531547816 323109295 /nfs/dbraw/zinc/10/92/95/323109295.db2.gz KLBIYKNWTXMPGL-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO Cn1cc(Cl)cc1C[N@H+](C)CCC(C)(C)C ZINC000531562003 323109982 /nfs/dbraw/zinc/10/99/82/323109982.db2.gz OZBOSQDUXVBLDY-UHFFFAOYSA-N 1 0 242.794 3.547 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000531562156 323110077 /nfs/dbraw/zinc/11/00/77/323110077.db2.gz HLFLLUBPZBIETC-KBPBESRZSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000531562157 323110031 /nfs/dbraw/zinc/11/00/31/323110031.db2.gz HLFLLUBPZBIETC-OKILXGFUSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000531562158 323110037 /nfs/dbraw/zinc/11/00/37/323110037.db2.gz HLFLLUBPZBIETC-ZIAGYGMSSA-N 1 0 247.382 3.847 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000531579787 323109693 /nfs/dbraw/zinc/10/96/93/323109693.db2.gz RYSASVMBWNBRFR-AWEZNQCLSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000531579789 323109720 /nfs/dbraw/zinc/10/97/20/323109720.db2.gz RYSASVMBWNBRFR-CQSZACIVSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cc(C)sc2C)o1 ZINC000531603093 323110887 /nfs/dbraw/zinc/11/08/87/323110887.db2.gz QJAMWABYMIGDOQ-UHFFFAOYSA-N 1 0 249.379 3.599 20 0 BHADRO c1sc2ccccc2c1C[NH2+]C1(C2CC2)CC1 ZINC000531609208 323110240 /nfs/dbraw/zinc/11/02/40/323110240.db2.gz VSLJVZOXNRVDEM-UHFFFAOYSA-N 1 0 243.375 3.934 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000531609492 323110301 /nfs/dbraw/zinc/11/03/01/323110301.db2.gz HLWMKEFDZAJROO-UHFFFAOYSA-N 1 0 245.366 3.506 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000531609705 323110292 /nfs/dbraw/zinc/11/02/92/323110292.db2.gz NELRZHIOSMRLQW-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000531609809 323110237 /nfs/dbraw/zinc/11/02/37/323110237.db2.gz YNRMRHOUARAUNM-UHFFFAOYSA-N 1 0 245.366 3.506 20 0 BHADRO COc1cccc(C=C2CC[NH+](C(C)C)CC2)c1 ZINC000531614481 323110398 /nfs/dbraw/zinc/11/03/98/323110398.db2.gz INGQDGAYKIRJLR-UHFFFAOYSA-N 1 0 245.366 3.583 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000531614751 323110450 /nfs/dbraw/zinc/11/04/50/323110450.db2.gz VOYZNFGYVOPZJO-LLVKDONJSA-N 1 0 209.308 3.619 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000531614752 323110427 /nfs/dbraw/zinc/11/04/27/323110427.db2.gz VOYZNFGYVOPZJO-NSHDSACASA-N 1 0 209.308 3.619 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)nc1 ZINC000531629827 323110705 /nfs/dbraw/zinc/11/07/05/323110705.db2.gz KSHHKVAOYJCPII-CABCVRRESA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)nc1 ZINC000531629828 323110683 /nfs/dbraw/zinc/11/06/83/323110683.db2.gz KSHHKVAOYJCPII-GJZGRUSLSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)nc1 ZINC000531629829 323110690 /nfs/dbraw/zinc/11/06/90/323110690.db2.gz KSHHKVAOYJCPII-HUUCEWRRSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)nc1 ZINC000531629830 323110644 /nfs/dbraw/zinc/11/06/44/323110644.db2.gz KSHHKVAOYJCPII-LSDHHAIUSA-N 1 0 246.398 3.696 20 0 BHADRO C[C@H]1SCC[N@H+](CC2CC2)[C@@H]1c1ccccc1 ZINC000531657992 323111114 /nfs/dbraw/zinc/11/11/14/323111114.db2.gz QRTPSZKFBVEKLL-DOMZBBRYSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@H]1SCC[N@H+](CC2CC2)[C@H]1c1ccccc1 ZINC000531657993 323111160 /nfs/dbraw/zinc/11/11/60/323111160.db2.gz QRTPSZKFBVEKLL-IUODEOHRSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H]1SCC[N@H+](CC2CC2)[C@H]1c1ccccc1 ZINC000531657994 323111119 /nfs/dbraw/zinc/11/11/19/323111119.db2.gz QRTPSZKFBVEKLL-SWLSCSKDSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H]1SCC[N@H+](CC2CC2)[C@@H]1c1ccccc1 ZINC000531657995 323111211 /nfs/dbraw/zinc/11/12/11/323111211.db2.gz QRTPSZKFBVEKLL-WFASDCNBSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC2CC2)C1 ZINC000531658019 323111157 /nfs/dbraw/zinc/11/11/57/323111157.db2.gz XBEZMIXGEDSKAP-ABAIWWIYSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC2CC2)C1 ZINC000531658020 323111207 /nfs/dbraw/zinc/11/12/07/323111207.db2.gz XBEZMIXGEDSKAP-IAQYHMDHSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC2CC2)C1 ZINC000531658021 323111173 /nfs/dbraw/zinc/11/11/73/323111173.db2.gz XBEZMIXGEDSKAP-NHYWBVRUSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC2CC2)C1 ZINC000531658022 323111130 /nfs/dbraw/zinc/11/11/30/323111130.db2.gz XBEZMIXGEDSKAP-XHDPSFHLSA-N 1 0 233.330 3.619 20 0 BHADRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC2CC2)o1 ZINC000531658229 323111315 /nfs/dbraw/zinc/11/13/15/323111315.db2.gz UXDOFPMIMWIZGZ-AWEZNQCLSA-N 1 0 233.355 3.915 20 0 BHADRO Cc1ccc([C@H]2CCCCC[N@@H+]2CC2CC2)o1 ZINC000531658232 323111288 /nfs/dbraw/zinc/11/12/88/323111288.db2.gz UXDOFPMIMWIZGZ-CQSZACIVSA-N 1 0 233.355 3.915 20 0 BHADRO Cc1ccc(C(C)(C)C[N@H+](C)CC2CC2)cc1 ZINC000531658280 323111230 /nfs/dbraw/zinc/11/12/30/323111230.db2.gz NLEJSXDHSKLSDA-UHFFFAOYSA-N 1 0 231.383 3.614 20 0 BHADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC1CC1 ZINC000531658368 323111296 /nfs/dbraw/zinc/11/12/96/323111296.db2.gz XOPWXCILXZETJJ-HNNXBMFYSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC1CC1 ZINC000531658369 323111217 /nfs/dbraw/zinc/11/12/17/323111217.db2.gz XOPWXCILXZETJJ-OAHLLOKOSA-N 1 0 217.356 3.726 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC2CC2)C1 ZINC000531658815 323111307 /nfs/dbraw/zinc/11/13/07/323111307.db2.gz PYKFJGHSOOBXPC-DZGCQCFKSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC2CC2)C1 ZINC000531658816 323111340 /nfs/dbraw/zinc/11/13/40/323111340.db2.gz PYKFJGHSOOBXPC-HIFRSBDPSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC2CC2)C1 ZINC000531658817 323111317 /nfs/dbraw/zinc/11/13/17/323111317.db2.gz PYKFJGHSOOBXPC-UKRRQHHQSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC2CC2)C1 ZINC000531658818 323111284 /nfs/dbraw/zinc/11/12/84/323111284.db2.gz PYKFJGHSOOBXPC-ZFWWWQNUSA-N 1 0 229.367 3.583 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000531677863 323111351 /nfs/dbraw/zinc/11/13/51/323111351.db2.gz CLSZQCXPPYBPRV-CHWSQXEVSA-N 1 0 249.398 3.965 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000531677865 323111408 /nfs/dbraw/zinc/11/14/08/323111408.db2.gz CLSZQCXPPYBPRV-OLZOCXBDSA-N 1 0 249.398 3.965 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000531677866 323111410 /nfs/dbraw/zinc/11/14/10/323111410.db2.gz CLSZQCXPPYBPRV-QWHCGFSZSA-N 1 0 249.398 3.965 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000531677867 323111345 /nfs/dbraw/zinc/11/13/45/323111345.db2.gz CLSZQCXPPYBPRV-STQMWFEESA-N 1 0 249.398 3.965 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC(C)C)cc1 ZINC000531678041 323111386 /nfs/dbraw/zinc/11/13/86/323111386.db2.gz VEDDBANUZFPRJQ-KBPBESRZSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCC(C)C)cc1 ZINC000531678042 323111430 /nfs/dbraw/zinc/11/14/30/323111430.db2.gz VEDDBANUZFPRJQ-KGLIPLIRSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000531678043 323111461 /nfs/dbraw/zinc/11/14/61/323111461.db2.gz VEDDBANUZFPRJQ-UONOGXRCSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000531678044 323111457 /nfs/dbraw/zinc/11/14/57/323111457.db2.gz VEDDBANUZFPRJQ-ZIAGYGMSSA-N 1 0 249.398 3.823 20 0 BHADRO CCC[C@H]([NH2+]CCCOCC)C1CCCCC1 ZINC000531680690 323110990 /nfs/dbraw/zinc/11/09/90/323110990.db2.gz IYQDRKQHDOGPDH-HNNXBMFYSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]([NH2+]CCCOCC)C1CCCCC1 ZINC000531680692 323110977 /nfs/dbraw/zinc/11/09/77/323110977.db2.gz IYQDRKQHDOGPDH-OAHLLOKOSA-N 1 0 241.419 3.752 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000531682583 323110984 /nfs/dbraw/zinc/11/09/84/323110984.db2.gz WIAGPVPJKOHIRB-JYAVWHMHSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+]C2[C@@H](C)CCC[C@@H]2C)o1 ZINC000531682584 323111074 /nfs/dbraw/zinc/11/10/74/323111074.db2.gz WIAGPVPJKOHIRB-RYUDHWBXSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+]C2[C@H](C)CCC[C@H]2C)o1 ZINC000531682585 323111008 /nfs/dbraw/zinc/11/10/08/323111008.db2.gz WIAGPVPJKOHIRB-VXGBXAGGSA-N 1 0 235.371 3.545 20 0 BHADRO CC[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C(C)C ZINC000531683981 323111060 /nfs/dbraw/zinc/11/10/60/323111060.db2.gz XNTGZXNAMJSVDZ-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)C(C)C ZINC000531683983 323110945 /nfs/dbraw/zinc/11/09/45/323110945.db2.gz XNTGZXNAMJSVDZ-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C(C)C ZINC000531683984 323110989 /nfs/dbraw/zinc/11/09/89/323110989.db2.gz XNTGZXNAMJSVDZ-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000531683985 323110951 /nfs/dbraw/zinc/11/09/51/323110951.db2.gz XNTGZXNAMJSVDZ-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000531684895 323110969 /nfs/dbraw/zinc/11/09/69/323110969.db2.gz GCMVXDHYFISYBV-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000531684896 323111022 /nfs/dbraw/zinc/11/10/22/323111022.db2.gz GCMVXDHYFISYBV-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)o1)c1ccccc1 ZINC000531685173 323111016 /nfs/dbraw/zinc/11/10/16/323111016.db2.gz MYMYEDZCLIRDCM-INIZCTEOSA-N 1 0 243.350 3.871 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)o1)c1ccccc1 ZINC000531685174 323110959 /nfs/dbraw/zinc/11/09/59/323110959.db2.gz MYMYEDZCLIRDCM-MRXNPFEDSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2sccc2C)o1 ZINC000531685396 323111021 /nfs/dbraw/zinc/11/10/21/323111021.db2.gz CSRHQTLFYQOYGW-GFCCVEGCSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2sccc2C)o1 ZINC000531685397 323111026 /nfs/dbraw/zinc/11/10/26/323111026.db2.gz CSRHQTLFYQOYGW-LBPRGKRZSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)C2CCCCC2)o1 ZINC000531685786 323111070 /nfs/dbraw/zinc/11/10/70/323111070.db2.gz CPBKVMHHRLYKPW-CYBMUJFWSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)C2CCCCC2)o1 ZINC000531685787 323110993 /nfs/dbraw/zinc/11/09/93/323110993.db2.gz CPBKVMHHRLYKPW-ZDUSSCGKSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cc(C)ccc1OC ZINC000531689569 323111639 /nfs/dbraw/zinc/11/16/39/323111639.db2.gz ANWYKCDHRBZFCY-KBPBESRZSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cc(C)ccc1OC ZINC000531689576 323111624 /nfs/dbraw/zinc/11/16/24/323111624.db2.gz ANWYKCDHRBZFCY-KGLIPLIRSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cc(C)ccc1OC ZINC000531689577 323111673 /nfs/dbraw/zinc/11/16/73/323111673.db2.gz ANWYKCDHRBZFCY-UONOGXRCSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc(C)ccc1OC ZINC000531689578 323111585 /nfs/dbraw/zinc/11/15/85/323111585.db2.gz ANWYKCDHRBZFCY-ZIAGYGMSSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCOc1ccccc1 ZINC000531693199 323111656 /nfs/dbraw/zinc/11/16/56/323111656.db2.gz OVRHPKYRRKVOOI-HNNXBMFYSA-N 1 0 247.382 3.790 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000531693200 323111690 /nfs/dbraw/zinc/11/16/90/323111690.db2.gz OVRHPKYRRKVOOI-OAHLLOKOSA-N 1 0 247.382 3.790 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+]CC2CCC2)cc1 ZINC000531693945 323111683 /nfs/dbraw/zinc/11/16/83/323111683.db2.gz SVGKKHJOYDBCGV-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000531693947 323111696 /nfs/dbraw/zinc/11/16/96/323111696.db2.gz KXLWBGFHOGASQV-CHWSQXEVSA-N 1 0 249.398 3.823 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+]CC2CCC2)cc1 ZINC000531693948 323111619 /nfs/dbraw/zinc/11/16/19/323111619.db2.gz SVGKKHJOYDBCGV-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000531693952 323111697 /nfs/dbraw/zinc/11/16/97/323111697.db2.gz KXLWBGFHOGASQV-OLZOCXBDSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000531693953 323111612 /nfs/dbraw/zinc/11/16/12/323111612.db2.gz KXLWBGFHOGASQV-QWHCGFSZSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000531693954 323111730 /nfs/dbraw/zinc/11/17/30/323111730.db2.gz KXLWBGFHOGASQV-STQMWFEESA-N 1 0 249.398 3.823 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCC1 ZINC000531693955 323111709 /nfs/dbraw/zinc/11/17/09/323111709.db2.gz LADCAUKQKCQTKD-INIZCTEOSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCC1 ZINC000531693958 323111731 /nfs/dbraw/zinc/11/17/31/323111731.db2.gz LADCAUKQKCQTKD-MRXNPFEDSA-N 1 0 249.373 3.783 20 0 BHADRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1C ZINC000531696501 323111792 /nfs/dbraw/zinc/11/17/92/323111792.db2.gz GDIYIXUHEWSXSQ-GFCCVEGCSA-N 1 0 235.371 3.528 20 0 BHADRO COc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1C ZINC000531696502 323111834 /nfs/dbraw/zinc/11/18/34/323111834.db2.gz GDIYIXUHEWSXSQ-LBPRGKRZSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000531697023 323111817 /nfs/dbraw/zinc/11/18/17/323111817.db2.gz ROBLMSKANHFRTE-AAEUAGOBSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000531697024 323111859 /nfs/dbraw/zinc/11/18/59/323111859.db2.gz ROBLMSKANHFRTE-DGCLKSJQSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000531697025 323111880 /nfs/dbraw/zinc/11/18/80/323111880.db2.gz ROBLMSKANHFRTE-WCQYABFASA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000531697026 323111800 /nfs/dbraw/zinc/11/18/00/323111800.db2.gz ROBLMSKANHFRTE-YPMHNXCESA-N 1 0 235.371 3.528 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1c(C)cccc1C ZINC000531698769 323111818 /nfs/dbraw/zinc/11/18/18/323111818.db2.gz TUAUIXTWAKAREC-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccoc2)c(C)c1 ZINC000531700275 323111798 /nfs/dbraw/zinc/11/17/98/323111798.db2.gz CTMWMPYYBUIELO-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccoc2)c(C)c1 ZINC000531700276 323111805 /nfs/dbraw/zinc/11/18/05/323111805.db2.gz CTMWMPYYBUIELO-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)C(C)C ZINC000531700850 323111801 /nfs/dbraw/zinc/11/18/01/323111801.db2.gz FTJSFWYXEDPSAA-AWEZNQCLSA-N 1 0 249.398 3.746 20 0 BHADRO CC(C)OCc1ccccc1C[NH2+][C@H](C)C(C)C ZINC000531700851 323111872 /nfs/dbraw/zinc/11/18/72/323111872.db2.gz FTJSFWYXEDPSAA-CQSZACIVSA-N 1 0 249.398 3.746 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccoc1 ZINC000531702753 323111790 /nfs/dbraw/zinc/11/17/90/323111790.db2.gz VFAFVGMOKZHEIZ-NEPJUHHUSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)c1ccoc1 ZINC000531702754 323111879 /nfs/dbraw/zinc/11/18/79/323111879.db2.gz VFAFVGMOKZHEIZ-NWDGAFQWSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)c1ccc(F)cc1 ZINC000531702755 323111823 /nfs/dbraw/zinc/11/18/23/323111823.db2.gz VFAFVGMOKZHEIZ-RYUDHWBXSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccoc1 ZINC000531702756 323111802 /nfs/dbraw/zinc/11/18/02/323111802.db2.gz VFAFVGMOKZHEIZ-VXGBXAGGSA-N 1 0 247.313 3.873 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000531703665 323111867 /nfs/dbraw/zinc/11/18/67/323111867.db2.gz RURPQGHZZVEKTP-AVGNSLFASA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000531703668 323111828 /nfs/dbraw/zinc/11/18/28/323111828.db2.gz RURPQGHZZVEKTP-RWMBFGLXSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000531703669 323111822 /nfs/dbraw/zinc/11/18/22/323111822.db2.gz RURPQGHZZVEKTP-XQQFMLRXSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000531703670 323111824 /nfs/dbraw/zinc/11/18/24/323111824.db2.gz RURPQGHZZVEKTP-YNEHKIRRSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)C)C1CCOCC1 ZINC000531704124 323112019 /nfs/dbraw/zinc/11/20/19/323112019.db2.gz RFCRMGKAELEKAG-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)C)C1CCOCC1 ZINC000531704125 323111892 /nfs/dbraw/zinc/11/18/92/323111892.db2.gz RFCRMGKAELEKAG-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)C(C)(C)C ZINC000531704126 323111965 /nfs/dbraw/zinc/11/19/65/323111965.db2.gz RFCRMGKAELEKAG-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)C)C1CCOCC1 ZINC000531704127 323111919 /nfs/dbraw/zinc/11/19/19/323111919.db2.gz RFCRMGKAELEKAG-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCOC ZINC000531704496 323111943 /nfs/dbraw/zinc/11/19/43/323111943.db2.gz UABMSMJOHNSDMS-KFWWJZLASA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000531704497 323112003 /nfs/dbraw/zinc/11/20/03/323112003.db2.gz UABMSMJOHNSDMS-RBSFLKMASA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000531704498 323111921 /nfs/dbraw/zinc/11/19/21/323111921.db2.gz UABMSMJOHNSDMS-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCOC ZINC000531704499 323111991 /nfs/dbraw/zinc/11/19/91/323111991.db2.gz UABMSMJOHNSDMS-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccccc1O ZINC000531706379 323111938 /nfs/dbraw/zinc/11/19/38/323111938.db2.gz PXEBYPKCRXVPTJ-DZGCQCFKSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccccc1O ZINC000531706380 323111895 /nfs/dbraw/zinc/11/18/95/323111895.db2.gz PXEBYPKCRXVPTJ-HIFRSBDPSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccccc1O ZINC000531706381 323112016 /nfs/dbraw/zinc/11/20/16/323112016.db2.gz PXEBYPKCRXVPTJ-UKRRQHHQSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccccc1O ZINC000531706382 323111913 /nfs/dbraw/zinc/11/19/13/323111913.db2.gz PXEBYPKCRXVPTJ-ZFWWWQNUSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCOCCC(C)C ZINC000531708022 323111976 /nfs/dbraw/zinc/11/19/76/323111976.db2.gz XVLHQQLUWBVMIL-HNNXBMFYSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCOCCC(C)C ZINC000531708023 323111990 /nfs/dbraw/zinc/11/19/90/323111990.db2.gz XVLHQQLUWBVMIL-OAHLLOKOSA-N 1 0 241.419 3.774 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000531708754 323111923 /nfs/dbraw/zinc/11/19/23/323111923.db2.gz USCCLSJJDRCIIK-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1cccc(CC[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000531708755 323111893 /nfs/dbraw/zinc/11/18/93/323111893.db2.gz USCCLSJJDRCIIK-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000531709798 323112006 /nfs/dbraw/zinc/11/20/06/323112006.db2.gz YUVKKKZEVDUCKL-GBJTYRQASA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000531709799 323111918 /nfs/dbraw/zinc/11/19/18/323111918.db2.gz YUVKKKZEVDUCKL-LJISPDSOSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000531709800 323112020 /nfs/dbraw/zinc/11/20/20/323112020.db2.gz YUVKKKZEVDUCKL-XGUBFFRZSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000531709801 323112024 /nfs/dbraw/zinc/11/20/24/323112024.db2.gz YUVKKKZEVDUCKL-YJNKXOJESA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+]CCOC1CCCCCC1)C(C)(C)C ZINC000531714323 323112161 /nfs/dbraw/zinc/11/21/61/323112161.db2.gz LSZTZAZLJILSAF-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCOC1CCCCCC1)C(C)(C)C ZINC000531714324 323112092 /nfs/dbraw/zinc/11/20/92/323112092.db2.gz LSZTZAZLJILSAF-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000531715599 323112168 /nfs/dbraw/zinc/11/21/68/323112168.db2.gz AEJKATUDZQGPHS-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000531715605 323112039 /nfs/dbraw/zinc/11/20/39/323112039.db2.gz AEJKATUDZQGPHS-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000531715606 323112045 /nfs/dbraw/zinc/11/20/45/323112045.db2.gz AEJKATUDZQGPHS-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000531715607 323112127 /nfs/dbraw/zinc/11/21/27/323112127.db2.gz AEJKATUDZQGPHS-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000531715688 323112091 /nfs/dbraw/zinc/11/20/91/323112091.db2.gz HMVXIGDMANRHPG-DOTOQJQBSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000531715689 323112165 /nfs/dbraw/zinc/11/21/65/323112165.db2.gz HMVXIGDMANRHPG-NVXWUHKLSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000531715690 323112110 /nfs/dbraw/zinc/11/21/10/323112110.db2.gz HMVXIGDMANRHPG-RDJZCZTQSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000531715691 323112087 /nfs/dbraw/zinc/11/20/87/323112087.db2.gz HMVXIGDMANRHPG-WBVHZDCISA-N 1 0 243.394 3.741 20 0 BHADRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000531718040 323112043 /nfs/dbraw/zinc/11/20/43/323112043.db2.gz CXZJYNZMOPMZDU-KKUMJFAQSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)CCC=C(C)C ZINC000531718041 323112125 /nfs/dbraw/zinc/11/21/25/323112125.db2.gz CXZJYNZMOPMZDU-RRFJBIMHSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000531718042 323112147 /nfs/dbraw/zinc/11/21/47/323112147.db2.gz CXZJYNZMOPMZDU-SOUVJXGZSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)CCC=C(C)C ZINC000531718043 323112040 /nfs/dbraw/zinc/11/20/40/323112040.db2.gz CXZJYNZMOPMZDU-ZNMIVQPWSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccc(OCC(C)C)cc1 ZINC000531720280 323112192 /nfs/dbraw/zinc/11/21/92/323112192.db2.gz IWAIRJCVVBJXLF-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccc(OCC(C)C)cc1 ZINC000531720281 323112175 /nfs/dbraw/zinc/11/21/75/323112175.db2.gz IWAIRJCVVBJXLF-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cc(CC)no1 ZINC000531721100 323112222 /nfs/dbraw/zinc/11/22/22/323112222.db2.gz DDDYUBYSQPGLPA-BXUZGUMPSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cc(CC)no1 ZINC000531721105 323112306 /nfs/dbraw/zinc/11/23/06/323112306.db2.gz DDDYUBYSQPGLPA-FZMZJTMJSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cc(CC)no1 ZINC000531721106 323112256 /nfs/dbraw/zinc/11/22/56/323112256.db2.gz DDDYUBYSQPGLPA-RISCZKNCSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cc(CC)no1 ZINC000531721107 323112196 /nfs/dbraw/zinc/11/21/96/323112196.db2.gz DDDYUBYSQPGLPA-SMDDNHRTSA-N 1 0 238.375 3.541 20 0 BHADRO COC1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000531722337 323112255 /nfs/dbraw/zinc/11/22/55/323112255.db2.gz MZKFOTSUFFXUEV-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C)cc(CC[NH2+]C(C2CC2)C2CC2)c1 ZINC000531723604 323111429 /nfs/dbraw/zinc/11/14/29/323111429.db2.gz HEOIHCDYKRSUEM-UHFFFAOYSA-N 1 0 243.394 3.624 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccoc1 ZINC000531725034 323111395 /nfs/dbraw/zinc/11/13/95/323111395.db2.gz FQBSXUOFZDKLBY-KYEXWDHISA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccoc1 ZINC000531725035 323111420 /nfs/dbraw/zinc/11/14/20/323111420.db2.gz FQBSXUOFZDKLBY-PWNZVWSESA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccoc1 ZINC000531725036 323111381 /nfs/dbraw/zinc/11/13/81/323111381.db2.gz FQBSXUOFZDKLBY-RMRHIDDWSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccoc1 ZINC000531725037 323111440 /nfs/dbraw/zinc/11/14/40/323111440.db2.gz FQBSXUOFZDKLBY-SFDCQRBFSA-N 1 0 233.355 3.899 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000531725455 323111389 /nfs/dbraw/zinc/11/13/89/323111389.db2.gz XYBOQSRVDYGCHM-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000531725456 323111447 /nfs/dbraw/zinc/11/14/47/323111447.db2.gz XYBOQSRVDYGCHM-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000531725457 323111394 /nfs/dbraw/zinc/11/13/94/323111394.db2.gz XYBOQSRVDYGCHM-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000531725458 323111451 /nfs/dbraw/zinc/11/14/51/323111451.db2.gz XYBOQSRVDYGCHM-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000531725466 323111406 /nfs/dbraw/zinc/11/14/06/323111406.db2.gz YVNCUIAEMPACQS-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC(CCC)[NH2+][C@H](CC)C1CCOCC1 ZINC000531725468 323111367 /nfs/dbraw/zinc/11/13/67/323111367.db2.gz YVNCUIAEMPACQS-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000531725794 323111413 /nfs/dbraw/zinc/11/14/13/323111413.db2.gz OKTFHVOTMVOOBK-CHWSQXEVSA-N 1 0 237.387 3.933 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000531725795 323111454 /nfs/dbraw/zinc/11/14/54/323111454.db2.gz OKTFHVOTMVOOBK-OLZOCXBDSA-N 1 0 237.387 3.933 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000531725796 323111418 /nfs/dbraw/zinc/11/14/18/323111418.db2.gz OKTFHVOTMVOOBK-QWHCGFSZSA-N 1 0 237.387 3.933 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000531725797 323111359 /nfs/dbraw/zinc/11/13/59/323111359.db2.gz OKTFHVOTMVOOBK-STQMWFEESA-N 1 0 237.387 3.933 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]Cc1cccn1C ZINC000531728923 323111603 /nfs/dbraw/zinc/11/16/03/323111603.db2.gz YMXMWFPLFASEDG-UHFFFAOYSA-N 1 0 236.403 3.576 20 0 BHADRO CCO[C@H](CC[NH2+][C@H]1CCC[C@H]1CC)C(C)C ZINC000531729318 323111610 /nfs/dbraw/zinc/11/16/10/323111610.db2.gz QLBUAJDAWFACDY-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1CC)C(C)C ZINC000531729319 323111618 /nfs/dbraw/zinc/11/16/18/323111618.db2.gz QLBUAJDAWFACDY-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CC)C(C)C ZINC000531729320 323111661 /nfs/dbraw/zinc/11/16/61/323111661.db2.gz QLBUAJDAWFACDY-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CCO[C@H](CC[NH2+][C@H]1CCC[C@@H]1CC)C(C)C ZINC000531729321 323111631 /nfs/dbraw/zinc/11/16/31/323111631.db2.gz QLBUAJDAWFACDY-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[N@H+](CCCF)Cc1ccc(C)cc1 ZINC000531731709 323112612 /nfs/dbraw/zinc/11/26/12/323112612.db2.gz AQUGRFJYAJQYQF-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO C(CC1CCCC1)C[NH+]1C2CCC1CC2 ZINC000531732117 323112525 /nfs/dbraw/zinc/11/25/25/323112525.db2.gz RXWRKTQXECKYFW-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C2CCC1CC2 ZINC000531732266 323112610 /nfs/dbraw/zinc/11/26/10/323112610.db2.gz XSGXFYLAVJJIGX-HSBZDZAISA-N 1 0 215.340 3.683 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1C2CCC1CC2 ZINC000531732271 323112605 /nfs/dbraw/zinc/11/26/05/323112605.db2.gz XSGXFYLAVJJIGX-IYXRBSQSSA-N 1 0 215.340 3.683 20 0 BHADRO c1ccc2c(c1)CCS[C@H]2C[NH2+]C1CCCC1 ZINC000531737106 323112181 /nfs/dbraw/zinc/11/21/81/323112181.db2.gz LLBKJIAYHBWUQR-HNNXBMFYSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CCS[C@@H]2C[NH2+]C1CCCC1 ZINC000531737111 323112272 /nfs/dbraw/zinc/11/22/72/323112272.db2.gz LLBKJIAYHBWUQR-OAHLLOKOSA-N 1 0 247.407 3.549 20 0 BHADRO CC[C@H]([NH2+]CCc1cc(F)ccc1F)C(C)C ZINC000531739091 323112200 /nfs/dbraw/zinc/11/22/00/323112200.db2.gz HWRBOKCREYFUNN-AWEZNQCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc(F)ccc1F)C(C)C ZINC000531739092 323112271 /nfs/dbraw/zinc/11/22/71/323112271.db2.gz HWRBOKCREYFUNN-CQSZACIVSA-N 1 0 241.325 3.532 20 0 BHADRO c1c2ccccc2oc1C[NH+]1C2CCC1CC2 ZINC000531756766 323112630 /nfs/dbraw/zinc/11/26/30/323112630.db2.gz CVAIZMPYNNXJHX-UHFFFAOYSA-N 1 0 227.307 3.560 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531756907 323112868 /nfs/dbraw/zinc/11/28/68/323112868.db2.gz YQTGQHDAJOOWGZ-GFCCVEGCSA-N 1 0 229.323 3.665 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531756908 323112866 /nfs/dbraw/zinc/11/28/66/323112866.db2.gz YQTGQHDAJOOWGZ-LBPRGKRZSA-N 1 0 229.323 3.665 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000531756909 323112872 /nfs/dbraw/zinc/11/28/72/323112872.db2.gz YTEVTCYGUSXBER-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000531756910 323112856 /nfs/dbraw/zinc/11/28/56/323112856.db2.gz YTEVTCYGUSXBER-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000531756911 323112916 /nfs/dbraw/zinc/11/29/16/323112916.db2.gz YTEVTCYGUSXBER-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000531756912 323112904 /nfs/dbraw/zinc/11/29/04/323112904.db2.gz YTEVTCYGUSXBER-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000531757090 323112849 /nfs/dbraw/zinc/11/28/49/323112849.db2.gz MGWFONHCIYKCPB-INIZCTEOSA-N 1 0 246.398 3.669 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000531757091 323112839 /nfs/dbraw/zinc/11/28/39/323112839.db2.gz MGWFONHCIYKCPB-MRXNPFEDSA-N 1 0 246.398 3.669 20 0 BHADRO CC[N@@H+](Cc1cc2ccccc2o1)CC1CC1 ZINC000531757125 323112824 /nfs/dbraw/zinc/11/28/24/323112824.db2.gz FZSUYQNOLHTBFU-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757126 323112889 /nfs/dbraw/zinc/11/28/89/323112889.db2.gz IFJBZOSVTRTQGK-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757127 323112835 /nfs/dbraw/zinc/11/28/35/323112835.db2.gz IFJBZOSVTRTQGK-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757128 323112944 /nfs/dbraw/zinc/11/29/44/323112944.db2.gz IFJBZOSVTRTQGK-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757129 323112901 /nfs/dbraw/zinc/11/29/01/323112901.db2.gz IFJBZOSVTRTQGK-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531757142 323112864 /nfs/dbraw/zinc/11/28/64/323112864.db2.gz LTINFMJXLWXXCA-NEPJUHHUSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2ccccc2o1 ZINC000531757143 323112942 /nfs/dbraw/zinc/11/29/42/323112942.db2.gz LTINFMJXLWXXCA-NWDGAFQWSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531757144 323112932 /nfs/dbraw/zinc/11/29/32/323112932.db2.gz LTINFMJXLWXXCA-RYUDHWBXSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531757145 323112897 /nfs/dbraw/zinc/11/28/97/323112897.db2.gz LTINFMJXLWXXCA-VXGBXAGGSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757166 323112892 /nfs/dbraw/zinc/11/28/92/323112892.db2.gz SDXDJTKVRUZBID-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000531757167 323112880 /nfs/dbraw/zinc/11/28/80/323112880.db2.gz SDXDJTKVRUZBID-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO c1c2ccccc2oc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000531757343 323112941 /nfs/dbraw/zinc/11/29/41/323112941.db2.gz MHEBZFCSAJZRLL-KBPBESRZSA-N 1 0 241.334 3.665 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000531757344 323112937 /nfs/dbraw/zinc/11/29/37/323112937.db2.gz MHEBZFCSAJZRLL-OKILXGFUSA-N 1 0 241.334 3.665 20 0 BHADRO c1c2ccccc2oc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000531757345 323112851 /nfs/dbraw/zinc/11/28/51/323112851.db2.gz MHEBZFCSAJZRLL-ZIAGYGMSSA-N 1 0 241.334 3.665 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000531758936 323112604 /nfs/dbraw/zinc/11/26/04/323112604.db2.gz DFESJSHVKSTKPT-CYBMUJFWSA-N 1 0 239.309 3.663 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000531758937 323112544 /nfs/dbraw/zinc/11/25/44/323112544.db2.gz DFESJSHVKSTKPT-ZDUSSCGKSA-N 1 0 239.309 3.663 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)C[C@@H]1CCCOC1 ZINC000531765038 323112785 /nfs/dbraw/zinc/11/27/85/323112785.db2.gz XWLKLAZFKMKRSC-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)C[C@H]1CCCOC1 ZINC000531765039 323112811 /nfs/dbraw/zinc/11/28/11/323112811.db2.gz XWLKLAZFKMKRSC-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(CC)[N@H+](Cc1nc(C)cs1)C1CC1 ZINC000531779671 323113149 /nfs/dbraw/zinc/11/31/49/323113149.db2.gz UBEMKABSOHIJLX-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO Clc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000531801013 323113941 /nfs/dbraw/zinc/11/39/41/323113941.db2.gz FIYRRTSRQVIKLO-BETUJISGSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1cccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000531801021 323113937 /nfs/dbraw/zinc/11/39/37/323113937.db2.gz FIYRRTSRQVIKLO-CHWSQXEVSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000531801023 323114027 /nfs/dbraw/zinc/11/40/27/323114027.db2.gz FIYRRTSRQVIKLO-STQMWFEESA-N 1 0 235.758 3.572 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000531833385 323114871 /nfs/dbraw/zinc/11/48/71/323114871.db2.gz JVPCPWNEHJUPBU-AWEZNQCLSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000531833386 323114890 /nfs/dbraw/zinc/11/48/90/323114890.db2.gz JVPCPWNEHJUPBU-CQSZACIVSA-N 1 0 239.309 3.587 20 0 BHADRO CC(C)C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000531833433 323114907 /nfs/dbraw/zinc/11/49/07/323114907.db2.gz KQHWDOQJWPSGFM-JTQLQIEISA-N 1 0 239.309 3.540 20 0 BHADRO CC(C)C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000531833434 323114894 /nfs/dbraw/zinc/11/48/94/323114894.db2.gz KQHWDOQJWPSGFM-SNVBAGLBSA-N 1 0 239.309 3.540 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000531833443 323114950 /nfs/dbraw/zinc/11/49/50/323114950.db2.gz NDCTWNSQAQJTQP-AWEZNQCLSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000531833444 323114929 /nfs/dbraw/zinc/11/49/29/323114929.db2.gz NDCTWNSQAQJTQP-CQSZACIVSA-N 1 0 239.309 3.587 20 0 BHADRO c1c2ccccc2sc1C[NH2+]C1(C2CC2)CC1 ZINC000531863340 323118160 /nfs/dbraw/zinc/11/81/60/323118160.db2.gz MKFNGQSBZBBVIF-UHFFFAOYSA-N 1 0 243.375 3.934 20 0 BHADRO CC(C)c1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000531863369 323118253 /nfs/dbraw/zinc/11/82/53/323118253.db2.gz OVIGMJTULLXEBE-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO Fc1ccc2oc(C[NH2+]C3(C4CC4)CC3)cc2c1 ZINC000531863425 323118208 /nfs/dbraw/zinc/11/82/08/323118208.db2.gz WAYWFMZEFZSTFE-UHFFFAOYSA-N 1 0 245.297 3.604 20 0 BHADRO c1ccc2cc(C[NH2+]C3(C4CC4)CC3)ccc2c1 ZINC000531863433 323118156 /nfs/dbraw/zinc/11/81/56/323118156.db2.gz XYEGQRGOPDWIDQ-UHFFFAOYSA-N 1 0 237.346 3.872 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000531863504 323118337 /nfs/dbraw/zinc/11/83/37/323118337.db2.gz HEKZZQWZZAIAHI-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Clc1ccc(C[N@H+](CC2CC2)C2CC2)cc1 ZINC000531911033 352587474 /nfs/dbraw/zinc/58/74/74/352587474.db2.gz JRBXXJXNWWISRL-UHFFFAOYSA-N 1 0 235.758 3.714 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2CC2)c1C ZINC000531912445 323153499 /nfs/dbraw/zinc/15/34/99/323153499.db2.gz YXVSGATVWVMEDK-INIZCTEOSA-N 1 0 229.367 3.850 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2CC2)c1C ZINC000531912446 323153540 /nfs/dbraw/zinc/15/35/40/323153540.db2.gz YXVSGATVWVMEDK-MRXNPFEDSA-N 1 0 229.367 3.850 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC1CC1 ZINC000531912702 323154161 /nfs/dbraw/zinc/15/41/61/323154161.db2.gz GNOCYAQZKUTIKT-LLVKDONJSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC1CC1 ZINC000531912703 323154125 /nfs/dbraw/zinc/15/41/25/323154125.db2.gz GNOCYAQZKUTIKT-NSHDSACASA-N 1 0 237.774 3.613 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000531913024 352587863 /nfs/dbraw/zinc/58/78/63/352587863.db2.gz VVLLOBRKIXXLJI-INIZCTEOSA-N 1 0 249.373 3.735 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC1CC1 ZINC000531913025 352587869 /nfs/dbraw/zinc/58/78/69/352587869.db2.gz VVLLOBRKIXXLJI-MRXNPFEDSA-N 1 0 249.373 3.735 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000531932060 323155007 /nfs/dbraw/zinc/15/50/07/323155007.db2.gz IMWYMTGWCREFFZ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000531932061 323155011 /nfs/dbraw/zinc/15/50/11/323155011.db2.gz IMWYMTGWCREFFZ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000531932062 323155005 /nfs/dbraw/zinc/15/50/05/323155005.db2.gz IMWYMTGWCREFFZ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000531932063 323155016 /nfs/dbraw/zinc/15/50/16/323155016.db2.gz IMWYMTGWCREFFZ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccco2)cc(C)c1F ZINC000531932082 323154997 /nfs/dbraw/zinc/15/49/97/323154997.db2.gz KJXNQPBKTSUDLC-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccco2)cc(C)c1F ZINC000531932083 323155051 /nfs/dbraw/zinc/15/50/51/323155051.db2.gz KJXNQPBKTSUDLC-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCC1)C1CCOCC1 ZINC000531932136 323155100 /nfs/dbraw/zinc/15/51/00/323155100.db2.gz TTZWTYZWAJQRDK-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCC1)C1CCOCC1 ZINC000531932137 323155044 /nfs/dbraw/zinc/15/50/44/323155044.db2.gz TTZWTYZWAJQRDK-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000531932243 323155043 /nfs/dbraw/zinc/15/50/43/323155043.db2.gz UIPNXBDBQYZROM-INIZCTEOSA-N 1 0 231.383 3.706 20 0 BHADRO CCCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000531932244 323155038 /nfs/dbraw/zinc/15/50/38/323155038.db2.gz UIPNXBDBQYZROM-MRXNPFEDSA-N 1 0 231.383 3.706 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccccc2)o1 ZINC000531932691 323155069 /nfs/dbraw/zinc/15/50/69/323155069.db2.gz YKIQXERXGIJFQP-CYBMUJFWSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccccc2)o1 ZINC000531932692 323155032 /nfs/dbraw/zinc/15/50/32/323155032.db2.gz YKIQXERXGIJFQP-ZDUSSCGKSA-N 1 0 243.350 3.735 20 0 BHADRO CC(C)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000531932808 323155001 /nfs/dbraw/zinc/15/50/01/323155001.db2.gz YETINYNWGQJCDQ-HNNXBMFYSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000531932809 323155004 /nfs/dbraw/zinc/15/50/04/323155004.db2.gz YETINYNWGQJCDQ-OAHLLOKOSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)C ZINC000531936505 323155222 /nfs/dbraw/zinc/15/52/22/323155222.db2.gz MYQIFBIDYUJECE-HNNXBMFYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)C ZINC000531936510 323155274 /nfs/dbraw/zinc/15/52/74/323155274.db2.gz MYQIFBIDYUJECE-OAHLLOKOSA-N 1 0 249.373 3.882 20 0 BHADRO CCCCOc1ccc(CC[NH2+][C@@H](C)CC)cc1 ZINC000531936939 323155335 /nfs/dbraw/zinc/15/53/35/323155335.db2.gz VJDCBKJXGHKGSO-AWEZNQCLSA-N 1 0 249.398 3.796 20 0 BHADRO CCCCOc1ccc(CC[NH2+][C@H](C)CC)cc1 ZINC000531936940 323155213 /nfs/dbraw/zinc/15/52/13/323155213.db2.gz VJDCBKJXGHKGSO-CQSZACIVSA-N 1 0 249.398 3.796 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000531937042 323155257 /nfs/dbraw/zinc/15/52/57/323155257.db2.gz PIKBNOOWCYAARB-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000531937043 323155304 /nfs/dbraw/zinc/15/53/04/323155304.db2.gz PIKBNOOWCYAARB-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000531938379 323155532 /nfs/dbraw/zinc/15/55/32/323155532.db2.gz XWTOBTXUKCOBRL-CHWSQXEVSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000531938380 323155509 /nfs/dbraw/zinc/15/55/09/323155509.db2.gz XWTOBTXUKCOBRL-OLZOCXBDSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000531938382 323155516 /nfs/dbraw/zinc/15/55/16/323155516.db2.gz XWTOBTXUKCOBRL-QWHCGFSZSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000531938383 323155481 /nfs/dbraw/zinc/15/54/81/323155481.db2.gz XWTOBTXUKCOBRL-STQMWFEESA-N 1 0 249.373 3.882 20 0 BHADRO CCC1CCC([NH2+]CCc2ccc(C)o2)CC1 ZINC000531939535 323155456 /nfs/dbraw/zinc/15/54/56/323155456.db2.gz AFUJZVQHYDYZQL-UHFFFAOYSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)s2)o1 ZINC000531939612 323155437 /nfs/dbraw/zinc/15/54/37/323155437.db2.gz CBWCHZQGPQEMRT-GFCCVEGCSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)s2)o1 ZINC000531939617 323155379 /nfs/dbraw/zinc/15/53/79/323155379.db2.gz CBWCHZQGPQEMRT-LBPRGKRZSA-N 1 0 249.379 3.851 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)o1)c1cccs1 ZINC000531939819 323155398 /nfs/dbraw/zinc/15/53/98/323155398.db2.gz FVJFRJCOPZRDOC-CYBMUJFWSA-N 1 0 249.379 3.933 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)o1)c1cccs1 ZINC000531939820 323155350 /nfs/dbraw/zinc/15/53/50/323155350.db2.gz FVJFRJCOPZRDOC-ZDUSSCGKSA-N 1 0 249.379 3.933 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000531939895 323155404 /nfs/dbraw/zinc/15/54/04/323155404.db2.gz QDDJDGXXWXYWEO-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000531939896 323155381 /nfs/dbraw/zinc/15/53/81/323155381.db2.gz QDDJDGXXWXYWEO-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccc(C)o2)o1 ZINC000531940471 323155944 /nfs/dbraw/zinc/15/59/44/323155944.db2.gz XIRCEHJKGXCACJ-GFCCVEGCSA-N 1 0 247.338 3.637 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccc(C)o2)o1 ZINC000531940472 323156024 /nfs/dbraw/zinc/15/60/24/323156024.db2.gz XIRCEHJKGXCACJ-LBPRGKRZSA-N 1 0 247.338 3.637 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000531940495 323156005 /nfs/dbraw/zinc/15/60/05/323156005.db2.gz CRDYYQBQQGZMIO-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000531940496 323155991 /nfs/dbraw/zinc/15/59/91/323155991.db2.gz CRDYYQBQQGZMIO-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO COc1ccc(C)cc1CC[NH2+][C@H](C)C(C)(C)C ZINC000531944926 323155568 /nfs/dbraw/zinc/15/55/68/323155568.db2.gz HLAZZZPHECZRCE-CYBMUJFWSA-N 1 0 249.398 3.570 20 0 BHADRO COc1ccc(C)cc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000531944927 323155684 /nfs/dbraw/zinc/15/56/84/323155684.db2.gz HLAZZZPHECZRCE-ZDUSSCGKSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)C(C)C)cc1 ZINC000531945261 323155625 /nfs/dbraw/zinc/15/56/25/323155625.db2.gz QJPZNMOVZJPUCW-AWEZNQCLSA-N 1 0 249.398 3.650 20 0 BHADRO CC(C)Oc1ccc(CC[NH2+][C@H](C)C(C)C)cc1 ZINC000531945262 323155683 /nfs/dbraw/zinc/15/56/83/323155683.db2.gz QJPZNMOVZJPUCW-CQSZACIVSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)C)C1CCCCC1 ZINC000531947987 323156175 /nfs/dbraw/zinc/15/61/75/323156175.db2.gz AOTBIZRKGRMVHH-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)C)C1CCCCC1 ZINC000531947988 323156120 /nfs/dbraw/zinc/15/61/20/323156120.db2.gz AOTBIZRKGRMVHH-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccoc1 ZINC000531948536 323156297 /nfs/dbraw/zinc/15/62/97/323156297.db2.gz JIRIJXOCJFDPLD-BMIGLBTASA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccoc1 ZINC000531948537 323156307 /nfs/dbraw/zinc/15/63/07/323156307.db2.gz JIRIJXOCJFDPLD-BONVTDFDSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccoc1 ZINC000531948538 323156215 /nfs/dbraw/zinc/15/62/15/323156215.db2.gz JIRIJXOCJFDPLD-MEBBXXQBSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccoc1 ZINC000531948539 323156317 /nfs/dbraw/zinc/15/63/17/323156317.db2.gz JIRIJXOCJFDPLD-ZUZCIYMTSA-N 1 0 245.297 3.757 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCOC1CCCC1 ZINC000531948863 323156315 /nfs/dbraw/zinc/15/63/15/323156315.db2.gz HVEUIPYAKQEFHV-AWEZNQCLSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000531948864 323156320 /nfs/dbraw/zinc/15/63/20/323156320.db2.gz HVEUIPYAKQEFHV-CQSZACIVSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)(C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531949126 323156210 /nfs/dbraw/zinc/15/62/10/323156210.db2.gz MTHPAYSRGVNFOT-HNNXBMFYSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531949127 323156221 /nfs/dbraw/zinc/15/62/21/323156221.db2.gz MTHPAYSRGVNFOT-OAHLLOKOSA-N 1 0 231.383 3.643 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000531951926 323157115 /nfs/dbraw/zinc/15/71/15/323157115.db2.gz JTVSSNFNYZAVRF-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000531951927 323157051 /nfs/dbraw/zinc/15/70/51/323157051.db2.gz JTVSSNFNYZAVRF-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000531951928 323157132 /nfs/dbraw/zinc/15/71/32/323157132.db2.gz JTVSSNFNYZAVRF-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000531951929 323157130 /nfs/dbraw/zinc/15/71/30/323157130.db2.gz JTVSSNFNYZAVRF-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)C(C)C ZINC000531952217 323157032 /nfs/dbraw/zinc/15/70/32/323157032.db2.gz MGMAPHYPZRALBK-AWEZNQCLSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)C(C)C ZINC000531952218 323157023 /nfs/dbraw/zinc/15/70/23/323157023.db2.gz MGMAPHYPZRALBK-CQSZACIVSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000531953553 323157333 /nfs/dbraw/zinc/15/73/33/323157333.db2.gz PNNFNCCJTVXWBA-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000531953555 323157260 /nfs/dbraw/zinc/15/72/60/323157260.db2.gz PNNFNCCJTVXWBA-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000531953558 323157314 /nfs/dbraw/zinc/15/73/14/323157314.db2.gz PNNFNCCJTVXWBA-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000531953559 323157365 /nfs/dbraw/zinc/15/73/65/323157365.db2.gz PNNFNCCJTVXWBA-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000531953612 323157353 /nfs/dbraw/zinc/15/73/53/323157353.db2.gz WKQYOUNKWICJCE-BLLLJJGKSA-N 1 0 245.341 3.759 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000531953614 323157350 /nfs/dbraw/zinc/15/73/50/323157350.db2.gz WKQYOUNKWICJCE-LRDDRELGSA-N 1 0 245.341 3.759 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000531953615 323157263 /nfs/dbraw/zinc/15/72/63/323157263.db2.gz WKQYOUNKWICJCE-MLGOLLRUSA-N 1 0 245.341 3.759 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000531953617 323157254 /nfs/dbraw/zinc/15/72/54/323157254.db2.gz WKQYOUNKWICJCE-WBMJQRKESA-N 1 0 245.341 3.759 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000531953719 323157342 /nfs/dbraw/zinc/15/73/42/323157342.db2.gz LMGMTYPVCDJQAR-BBRMVZONSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000531953720 323157337 /nfs/dbraw/zinc/15/73/37/323157337.db2.gz LMGMTYPVCDJQAR-CJNGLKHVSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](CC)c1ccccc1)C1CC1 ZINC000531953721 323157346 /nfs/dbraw/zinc/15/73/46/323157346.db2.gz LMGMTYPVCDJQAR-CZUORRHYSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000531953722 323157284 /nfs/dbraw/zinc/15/72/84/323157284.db2.gz LMGMTYPVCDJQAR-XJKSGUPXSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000531955620 323156692 /nfs/dbraw/zinc/15/66/92/323156692.db2.gz LOKHMGBLWAXSJQ-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC000531955621 323156696 /nfs/dbraw/zinc/15/66/96/323156696.db2.gz LOKHMGBLWAXSJQ-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC000531955951 323156753 /nfs/dbraw/zinc/15/67/53/323156753.db2.gz PYOCUQPAJWQJCH-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC000531955952 323156713 /nfs/dbraw/zinc/15/67/13/323156713.db2.gz PYOCUQPAJWQJCH-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000531956178 323156878 /nfs/dbraw/zinc/15/68/78/323156878.db2.gz DIXDWKFDRNISPC-AWEZNQCLSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000531956179 323156803 /nfs/dbraw/zinc/15/68/03/323156803.db2.gz DIXDWKFDRNISPC-CQSZACIVSA-N 1 0 249.423 3.653 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccc(OC)cc1)C(C)C ZINC000531956397 323156783 /nfs/dbraw/zinc/15/67/83/323156783.db2.gz GVYCDJNAELETMV-INIZCTEOSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccc(OC)cc1)C(C)C ZINC000531956398 323156857 /nfs/dbraw/zinc/15/68/57/323156857.db2.gz GVYCDJNAELETMV-MRXNPFEDSA-N 1 0 249.398 3.652 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000531956427 323156898 /nfs/dbraw/zinc/15/68/98/323156898.db2.gz NEEBUDBFTJLKAC-INIZCTEOSA-N 1 0 243.350 3.781 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000531956428 323156865 /nfs/dbraw/zinc/15/68/65/323156865.db2.gz NEEBUDBFTJLKAC-MRXNPFEDSA-N 1 0 243.350 3.781 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccoc1 ZINC000531956515 323156819 /nfs/dbraw/zinc/15/68/19/323156819.db2.gz NQVWHYWSPBXLAM-INIZCTEOSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccoc1 ZINC000531956516 323156792 /nfs/dbraw/zinc/15/67/92/323156792.db2.gz NQVWHYWSPBXLAM-MRXNPFEDSA-N 1 0 243.350 3.699 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccoc1 ZINC000531956670 323156869 /nfs/dbraw/zinc/15/68/69/323156869.db2.gz PXPZHJKNGZHFDZ-AWEZNQCLSA-N 1 0 247.725 3.710 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccoc1 ZINC000531956671 323156845 /nfs/dbraw/zinc/15/68/45/323156845.db2.gz PXPZHJKNGZHFDZ-CQSZACIVSA-N 1 0 247.725 3.710 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000531958064 323157838 /nfs/dbraw/zinc/15/78/38/323157838.db2.gz XCFVPCUYHAHCFP-DOMZBBRYSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000531958065 323157866 /nfs/dbraw/zinc/15/78/66/323157866.db2.gz XCFVPCUYHAHCFP-IUODEOHRSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000531958066 323157845 /nfs/dbraw/zinc/15/78/45/323157845.db2.gz XCFVPCUYHAHCFP-SWLSCSKDSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000531958067 323157742 /nfs/dbraw/zinc/15/77/42/323157742.db2.gz XCFVPCUYHAHCFP-WFASDCNBSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000531958159 323157739 /nfs/dbraw/zinc/15/77/39/323157739.db2.gz JZBHQYMANSRAKW-NEPJUHHUSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000531958160 323157856 /nfs/dbraw/zinc/15/78/56/323157856.db2.gz JZBHQYMANSRAKW-NWDGAFQWSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1 ZINC000531958161 323157998 /nfs/dbraw/zinc/15/79/98/323157998.db2.gz JZBHQYMANSRAKW-RYUDHWBXSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1(C)CC1 ZINC000531958162 323157961 /nfs/dbraw/zinc/15/79/61/323157961.db2.gz JZBHQYMANSRAKW-VXGBXAGGSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959243 323158064 /nfs/dbraw/zinc/15/80/64/323158064.db2.gz VOMJUESKAQTNAW-ABAIWWIYSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959244 323158021 /nfs/dbraw/zinc/15/80/21/323158021.db2.gz VOMJUESKAQTNAW-IAQYHMDHSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959245 323158048 /nfs/dbraw/zinc/15/80/48/323158048.db2.gz VOMJUESKAQTNAW-NHYWBVRUSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959246 323158052 /nfs/dbraw/zinc/15/80/52/323158052.db2.gz VOMJUESKAQTNAW-XHDPSFHLSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959255 323158062 /nfs/dbraw/zinc/15/80/62/323158062.db2.gz YBLXNKINTPOBPI-BLLLJJGKSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959256 323158036 /nfs/dbraw/zinc/15/80/36/323158036.db2.gz YBLXNKINTPOBPI-LRDDRELGSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959257 323158069 /nfs/dbraw/zinc/15/80/69/323158069.db2.gz YBLXNKINTPOBPI-MLGOLLRUSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000531959258 323158042 /nfs/dbraw/zinc/15/80/42/323158042.db2.gz YBLXNKINTPOBPI-WBMJQRKESA-N 1 0 249.373 3.953 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000531969031 323159895 /nfs/dbraw/zinc/15/98/95/323159895.db2.gz INELIVYUNHVEKW-GDBMZVCRSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000531969032 323160078 /nfs/dbraw/zinc/16/00/78/323160078.db2.gz INELIVYUNHVEKW-GOEBONIOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000531969033 323160092 /nfs/dbraw/zinc/16/00/92/323160092.db2.gz INELIVYUNHVEKW-HOCLYGCPSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000531969034 323160043 /nfs/dbraw/zinc/16/00/43/323160043.db2.gz INELIVYUNHVEKW-ZBFHGGJFSA-N 1 0 246.398 3.657 20 0 BHADRO CSCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531969080 323159961 /nfs/dbraw/zinc/15/99/61/323159961.db2.gz QSDQZABTVMXNCZ-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CSCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531969081 323160075 /nfs/dbraw/zinc/16/00/75/323160075.db2.gz QSDQZABTVMXNCZ-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO C[N@H+](CCCC1CCCC1)Cc1cccc(O)c1 ZINC000531969282 323159949 /nfs/dbraw/zinc/15/99/49/323159949.db2.gz RBHRCSZAIPBTQX-UHFFFAOYSA-N 1 0 247.382 3.794 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000531970499 323160335 /nfs/dbraw/zinc/16/03/35/323160335.db2.gz XOXSNDCCSOSXQO-GUTXKFCHSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000531970500 323160413 /nfs/dbraw/zinc/16/04/13/323160413.db2.gz XOXSNDCCSOSXQO-GZBFAFLISA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000531970501 323160414 /nfs/dbraw/zinc/16/04/14/323160414.db2.gz XOXSNDCCSOSXQO-KCQAQPDRSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000531970502 323160381 /nfs/dbraw/zinc/16/03/81/323160381.db2.gz XOXSNDCCSOSXQO-YDHLFZDLSA-N 1 0 231.383 3.741 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)c(OC)c1 ZINC000531977052 323161951 /nfs/dbraw/zinc/16/19/51/323161951.db2.gz KJLRXAWIBPSLKB-GXTWGEPZSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)c(OC)c1 ZINC000531977053 323161872 /nfs/dbraw/zinc/16/18/72/323161872.db2.gz KJLRXAWIBPSLKB-JSGCOSHPSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)c(OC)c1 ZINC000531977054 323161953 /nfs/dbraw/zinc/16/19/53/323161953.db2.gz KJLRXAWIBPSLKB-OCCSQVGLSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)c(OC)c1 ZINC000531977055 323161900 /nfs/dbraw/zinc/16/19/00/323161900.db2.gz KJLRXAWIBPSLKB-TZMCWYRMSA-N 1 0 249.398 3.570 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000531979110 323162358 /nfs/dbraw/zinc/16/23/58/323162358.db2.gz HIHZRZHPGZMSGX-INIZCTEOSA-N 1 0 249.373 3.701 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000531979111 323162247 /nfs/dbraw/zinc/16/22/47/323162247.db2.gz HIHZRZHPGZMSGX-MRXNPFEDSA-N 1 0 249.373 3.701 20 0 BHADRO FC(F)C1CC[NH+](CC2CCCCC2)CC1 ZINC000531982300 323163148 /nfs/dbraw/zinc/16/31/48/323163148.db2.gz XFDWJEXECLGEJF-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)o1 ZINC000531988068 323164687 /nfs/dbraw/zinc/16/46/87/323164687.db2.gz NQISFTYKXYQGAW-LLVKDONJSA-N 1 0 247.382 3.929 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC(C2CC2)C2CC2)o1 ZINC000531988069 323164763 /nfs/dbraw/zinc/16/47/63/323164763.db2.gz NQISFTYKXYQGAW-NSHDSACASA-N 1 0 247.382 3.929 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531993227 323166065 /nfs/dbraw/zinc/16/60/65/323166065.db2.gz ICMPEVBJPBYHIP-GHMZBOCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531993237 323166149 /nfs/dbraw/zinc/16/61/49/323166149.db2.gz ICMPEVBJPBYHIP-MNOVXSKESA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531993239 323166024 /nfs/dbraw/zinc/16/60/24/323166024.db2.gz ICMPEVBJPBYHIP-QWRGUYRKSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531993241 323166103 /nfs/dbraw/zinc/16/61/03/323166103.db2.gz ICMPEVBJPBYHIP-WDEREUQCSA-N 1 0 241.325 3.532 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)Cc1ccncc1 ZINC000531994061 323165978 /nfs/dbraw/zinc/16/59/78/323165978.db2.gz IRDHVJATZZDRCZ-CYBMUJFWSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000531994062 323166070 /nfs/dbraw/zinc/16/60/70/323166070.db2.gz IRDHVJATZZDRCZ-ZDUSSCGKSA-N 1 0 234.387 3.571 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCCC(C)(C)C2)o1 ZINC000532010975 323166775 /nfs/dbraw/zinc/16/67/75/323166775.db2.gz BQDIVKAJIRSNKI-CYBMUJFWSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCCC(C)(C)C2)o1 ZINC000532010976 323166682 /nfs/dbraw/zinc/16/66/82/323166682.db2.gz BQDIVKAJIRSNKI-ZDUSSCGKSA-N 1 0 235.371 3.689 20 0 BHADRO CC1(C)[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]21 ZINC000532014067 323167315 /nfs/dbraw/zinc/16/73/15/323167315.db2.gz XHBLQFFGAXZKSG-OKILXGFUSA-N 1 0 241.334 3.521 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532038485 323168924 /nfs/dbraw/zinc/16/89/24/323168924.db2.gz CVXVTYDUTYHPNK-DZGCQCFKSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532038486 323168936 /nfs/dbraw/zinc/16/89/36/323168936.db2.gz CVXVTYDUTYHPNK-HIFRSBDPSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532038487 323168899 /nfs/dbraw/zinc/16/88/99/323168899.db2.gz CVXVTYDUTYHPNK-UKRRQHHQSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532038488 323168887 /nfs/dbraw/zinc/16/88/87/323168887.db2.gz CVXVTYDUTYHPNK-ZFWWWQNUSA-N 1 0 217.356 3.726 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000532038588 323168948 /nfs/dbraw/zinc/16/89/48/323168948.db2.gz APDJIVDDZLUQBR-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000532038589 323168880 /nfs/dbraw/zinc/16/88/80/323168880.db2.gz APDJIVDDZLUQBR-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000532038605 323168928 /nfs/dbraw/zinc/16/89/28/323168928.db2.gz CLAUWZHGSWNCQD-CABCVRRESA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000532038606 323168902 /nfs/dbraw/zinc/16/89/02/323168902.db2.gz CLAUWZHGSWNCQD-GJZGRUSLSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000532038607 323168918 /nfs/dbraw/zinc/16/89/18/323168918.db2.gz CLAUWZHGSWNCQD-HUUCEWRRSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000532038608 323168922 /nfs/dbraw/zinc/16/89/22/323168922.db2.gz CLAUWZHGSWNCQD-LSDHHAIUSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000532038642 323168969 /nfs/dbraw/zinc/16/89/69/323168969.db2.gz LJFPZWSLSMTGPZ-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000532038643 323168951 /nfs/dbraw/zinc/16/89/51/323168951.db2.gz LJFPZWSLSMTGPZ-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000532040877 323169023 /nfs/dbraw/zinc/16/90/23/323169023.db2.gz NFPGNULGPUEFTF-DZGCQCFKSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000532040878 323168995 /nfs/dbraw/zinc/16/89/95/323168995.db2.gz NFPGNULGPUEFTF-HIFRSBDPSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000532040879 323168991 /nfs/dbraw/zinc/16/89/91/323168991.db2.gz NFPGNULGPUEFTF-UKRRQHHQSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000532040880 323168993 /nfs/dbraw/zinc/16/89/93/323168993.db2.gz NFPGNULGPUEFTF-ZFWWWQNUSA-N 1 0 247.382 3.622 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000532058203 323170714 /nfs/dbraw/zinc/17/07/14/323170714.db2.gz HBWJKHUIJPJNBE-GASCZTMLSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000532058205 323170613 /nfs/dbraw/zinc/17/06/13/323170613.db2.gz HBWJKHUIJPJNBE-GJZGRUSLSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000532058206 323170694 /nfs/dbraw/zinc/17/06/94/323170694.db2.gz HBWJKHUIJPJNBE-HUUCEWRRSA-N 1 0 229.367 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000532058336 323170792 /nfs/dbraw/zinc/17/07/92/323170792.db2.gz QLINDWWORJSPPY-BHYGNILZSA-N 1 0 243.394 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000532058337 323170781 /nfs/dbraw/zinc/17/07/81/323170781.db2.gz QLINDWWORJSPPY-DJIMGWMZSA-N 1 0 243.394 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000532058338 323170776 /nfs/dbraw/zinc/17/07/76/323170776.db2.gz QLINDWWORJSPPY-OIISXLGYSA-N 1 0 243.394 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000532058339 323170821 /nfs/dbraw/zinc/17/08/21/323170821.db2.gz QLINDWWORJSPPY-PVAVHDDUSA-N 1 0 243.394 3.740 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000532058679 323170853 /nfs/dbraw/zinc/17/08/53/323170853.db2.gz AWKDBUIVPYYFHU-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000532058680 323170828 /nfs/dbraw/zinc/17/08/28/323170828.db2.gz AWKDBUIVPYYFHU-IHRRRGAJSA-N 1 0 241.444 3.640 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000532058681 323170805 /nfs/dbraw/zinc/17/08/05/323170805.db2.gz AWKDBUIVPYYFHU-MELADBBJSA-N 1 0 241.444 3.640 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000532058682 323170742 /nfs/dbraw/zinc/17/07/42/323170742.db2.gz AWKDBUIVPYYFHU-MJBXVCDLSA-N 1 0 241.444 3.640 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000532059167 323170851 /nfs/dbraw/zinc/17/08/51/323170851.db2.gz FQCQSOAMUYWMBY-GASCZTMLSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1ccc(C)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000532059168 323170755 /nfs/dbraw/zinc/17/07/55/323170755.db2.gz FQCQSOAMUYWMBY-GJZGRUSLSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1ccc(C)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000532059169 323170719 /nfs/dbraw/zinc/17/07/19/323170719.db2.gz FQCQSOAMUYWMBY-HUUCEWRRSA-N 1 0 229.367 3.535 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C\c1ccccc1 ZINC000532072611 323171528 /nfs/dbraw/zinc/17/15/28/323171528.db2.gz JKQPFGQZUVWBOT-JDPNTUOHSA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C\c1ccccc1 ZINC000532072612 323171667 /nfs/dbraw/zinc/17/16/67/323171667.db2.gz JKQPFGQZUVWBOT-MVUUYHCISA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C/c1ccccc1 ZINC000532072613 323171662 /nfs/dbraw/zinc/17/16/62/323171662.db2.gz JKQPFGQZUVWBOT-VAIDBEGPSA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C/c1ccccc1 ZINC000532072614 323171669 /nfs/dbraw/zinc/17/16/69/323171669.db2.gz JKQPFGQZUVWBOT-YLXGSJGQSA-N 1 0 215.340 3.573 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000532072918 323171648 /nfs/dbraw/zinc/17/16/48/323171648.db2.gz GYDWFVTUYIIVNY-KBPBESRZSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000532072919 323171602 /nfs/dbraw/zinc/17/16/02/323171602.db2.gz GYDWFVTUYIIVNY-OKILXGFUSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000532072920 323171661 /nfs/dbraw/zinc/17/16/61/323171661.db2.gz GYDWFVTUYIIVNY-ZIAGYGMSSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000532091657 323196540 /nfs/dbraw/zinc/19/65/40/323196540.db2.gz ZCYQDUYTNMOTHY-LLVKDONJSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000532091658 323196560 /nfs/dbraw/zinc/19/65/60/323196560.db2.gz ZCYQDUYTNMOTHY-NSHDSACASA-N 1 0 237.309 3.697 20 0 BHADRO Cc1cc[nH+]c(NC[C@@H](C)c2ccc(F)cc2)c1 ZINC000532099138 323206161 /nfs/dbraw/zinc/20/61/61/323206161.db2.gz IOLPVHIBLPLSEY-GFCCVEGCSA-N 1 0 244.313 3.745 20 0 BHADRO Cc1cc[nH+]c(NC[C@H](C)c2ccc(F)cc2)c1 ZINC000532099139 323206173 /nfs/dbraw/zinc/20/61/73/323206173.db2.gz IOLPVHIBLPLSEY-LBPRGKRZSA-N 1 0 244.313 3.745 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2(C3CC3)CC2)cc1C ZINC000532120009 323206479 /nfs/dbraw/zinc/20/64/79/323206479.db2.gz VVVNJHKDINYEOY-UHFFFAOYSA-N 1 0 229.367 3.644 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000532124170 323206971 /nfs/dbraw/zinc/20/69/71/323206971.db2.gz BQBJCJKWXISBJC-AWEZNQCLSA-N 1 0 219.372 3.740 20 0 BHADRO CCCC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000532124172 323207093 /nfs/dbraw/zinc/20/70/93/323207093.db2.gz BQBJCJKWXISBJC-CQSZACIVSA-N 1 0 219.372 3.740 20 0 BHADRO Fc1ccccc1C=C1CC[NH+](CC2CC2)CC1 ZINC000532168194 323208111 /nfs/dbraw/zinc/20/81/11/323208111.db2.gz VLKTZANOSLQUDC-UHFFFAOYSA-N 1 0 245.341 3.715 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC1CC1 ZINC000532168215 323208224 /nfs/dbraw/zinc/20/82/24/323208224.db2.gz CXSWULYISZVXGL-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](CC)CC1CC1 ZINC000532168216 323208204 /nfs/dbraw/zinc/20/82/04/323208204.db2.gz CXSWULYISZVXGL-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO Fc1ccc([C@@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000532168271 323208429 /nfs/dbraw/zinc/20/84/29/323208429.db2.gz HQKQCLKJTOUPEH-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1ccc([C@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000532168272 323208364 /nfs/dbraw/zinc/20/83/64/323208364.db2.gz HQKQCLKJTOUPEH-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO COc1cccc(C[NH2+][C@@H](C)CCC=C(C)C)c1 ZINC000532186816 355879975 /nfs/dbraw/zinc/87/99/75/355879975.db2.gz HBTSNFCFIZINNP-AWEZNQCLSA-N 1 0 247.382 3.920 20 0 BHADRO COc1cccc(C[NH2+][C@H](C)CCC=C(C)C)c1 ZINC000532186817 355879575 /nfs/dbraw/zinc/87/95/75/355879575.db2.gz HBTSNFCFIZINNP-CQSZACIVSA-N 1 0 247.382 3.920 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCC=C(C)C)cc1 ZINC000532187724 355879555 /nfs/dbraw/zinc/87/95/55/355879555.db2.gz YZCRHSMBMAAITC-AWEZNQCLSA-N 1 0 247.382 3.920 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCC=C(C)C)cc1 ZINC000532187725 355879800 /nfs/dbraw/zinc/87/98/00/355879800.db2.gz YZCRHSMBMAAITC-CQSZACIVSA-N 1 0 247.382 3.920 20 0 BHADRO CCCC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000532187788 323208675 /nfs/dbraw/zinc/20/86/75/323208675.db2.gz DONPGBVJGXSQMA-HNNXBMFYSA-N 1 0 249.398 3.652 20 0 BHADRO CCCC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000532187789 323208662 /nfs/dbraw/zinc/20/86/62/323208662.db2.gz DONPGBVJGXSQMA-OAHLLOKOSA-N 1 0 249.398 3.652 20 0 BHADRO CCOCCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000532191397 323208683 /nfs/dbraw/zinc/20/86/83/323208683.db2.gz NYLASLQLLJPUCJ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000532191398 323208723 /nfs/dbraw/zinc/20/87/23/323208723.db2.gz NYLASLQLLJPUCJ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000532191399 323208627 /nfs/dbraw/zinc/20/86/27/323208627.db2.gz NYLASLQLLJPUCJ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000532191400 323208711 /nfs/dbraw/zinc/20/87/11/323208711.db2.gz NYLASLQLLJPUCJ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000532191888 323208615 /nfs/dbraw/zinc/20/86/15/323208615.db2.gz IQJMKJVYINSXAX-CABCVRRESA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000532191889 323208653 /nfs/dbraw/zinc/20/86/53/323208653.db2.gz IQJMKJVYINSXAX-GJZGRUSLSA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000532191890 323208666 /nfs/dbraw/zinc/20/86/66/323208666.db2.gz IQJMKJVYINSXAX-HUUCEWRRSA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000532191891 323208670 /nfs/dbraw/zinc/20/86/70/323208670.db2.gz IQJMKJVYINSXAX-LSDHHAIUSA-N 1 0 247.382 3.689 20 0 BHADRO COCCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000532193523 323208721 /nfs/dbraw/zinc/20/87/21/323208721.db2.gz IIXLXNMQQQFYFX-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO COCCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532193524 323208688 /nfs/dbraw/zinc/20/86/88/323208688.db2.gz IIXLXNMQQQFYFX-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000532196013 323208677 /nfs/dbraw/zinc/20/86/77/323208677.db2.gz HKMGVXRFGCKUIJ-AWEZNQCLSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000532196014 323208622 /nfs/dbraw/zinc/20/86/22/323208622.db2.gz HKMGVXRFGCKUIJ-CQSZACIVSA-N 1 0 235.371 3.689 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000532197171 323208592 /nfs/dbraw/zinc/20/85/92/323208592.db2.gz OKOQKKVLICNXHH-CYBMUJFWSA-N 1 0 247.382 3.804 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000532197172 323208682 /nfs/dbraw/zinc/20/86/82/323208682.db2.gz OKOQKKVLICNXHH-ZDUSSCGKSA-N 1 0 247.382 3.804 20 0 BHADRO COc1cccc2c1CC[C@@H]2[NH2+]CCCC(C)C ZINC000532199137 323208862 /nfs/dbraw/zinc/20/88/62/323208862.db2.gz ISYTVUHEMUVGJO-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO COc1cccc2c1CC[C@H]2[NH2+]CCCC(C)C ZINC000532199140 323208902 /nfs/dbraw/zinc/20/89/02/323208902.db2.gz ISYTVUHEMUVGJO-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCOCC(C)C ZINC000532200145 323208790 /nfs/dbraw/zinc/20/87/90/323208790.db2.gz AKHJHEACCZBPHZ-HNNXBMFYSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCOCC(C)C ZINC000532200146 323208851 /nfs/dbraw/zinc/20/88/51/323208851.db2.gz AKHJHEACCZBPHZ-OAHLLOKOSA-N 1 0 241.419 3.774 20 0 BHADRO CC[C@H]([NH2+]CCc1cc(C)ccc1OC)C(C)C ZINC000532200277 323208996 /nfs/dbraw/zinc/20/89/96/323208996.db2.gz CCSGUELEKGSONG-HNNXBMFYSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc(C)ccc1OC)C(C)C ZINC000532200278 323208873 /nfs/dbraw/zinc/20/88/73/323208873.db2.gz CCSGUELEKGSONG-OAHLLOKOSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532200656 323208822 /nfs/dbraw/zinc/20/88/22/323208822.db2.gz GLQLFMQSNPXIPF-AWEZNQCLSA-N 1 0 231.383 3.887 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532200657 323208864 /nfs/dbraw/zinc/20/88/64/323208864.db2.gz GLQLFMQSNPXIPF-CQSZACIVSA-N 1 0 231.383 3.887 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000532200905 323208848 /nfs/dbraw/zinc/20/88/48/323208848.db2.gz KQBLRUFIDCBPFV-INIZCTEOSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000532200906 323208838 /nfs/dbraw/zinc/20/88/38/323208838.db2.gz KQBLRUFIDCBPFV-MRXNPFEDSA-N 1 0 243.394 3.742 20 0 BHADRO Cc1ccc(CC[NH2+]C(C2CC2)C2CC2)c(C)c1 ZINC000532204983 323208603 /nfs/dbraw/zinc/20/86/03/323208603.db2.gz WABRRZPTSUVOAJ-UHFFFAOYSA-N 1 0 243.394 3.624 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000532206483 323209736 /nfs/dbraw/zinc/20/97/36/323209736.db2.gz WQDWNQWEVOJQJX-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000532206484 323209754 /nfs/dbraw/zinc/20/97/54/323209754.db2.gz WQDWNQWEVOJQJX-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000532206485 323209935 /nfs/dbraw/zinc/20/99/35/323209935.db2.gz WQDWNQWEVOJQJX-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000532206486 323209876 /nfs/dbraw/zinc/20/98/76/323209876.db2.gz WQDWNQWEVOJQJX-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO COc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1C ZINC000532207722 323209894 /nfs/dbraw/zinc/20/98/94/323209894.db2.gz PSJVRQIKYBDFBR-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1C ZINC000532207723 323209654 /nfs/dbraw/zinc/20/96/54/323209654.db2.gz PSJVRQIKYBDFBR-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC000532212302 323210069 /nfs/dbraw/zinc/21/00/69/323210069.db2.gz IYLWYTBEFXEXSX-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC000532212304 323210201 /nfs/dbraw/zinc/21/02/01/323210201.db2.gz IYLWYTBEFXEXSX-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC000532212305 323210184 /nfs/dbraw/zinc/21/01/84/323210184.db2.gz IYLWYTBEFXEXSX-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC000532212307 323210076 /nfs/dbraw/zinc/21/00/76/323210076.db2.gz IYLWYTBEFXEXSX-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000532212557 323210040 /nfs/dbraw/zinc/21/00/40/323210040.db2.gz BHQLNKUQNMMTMI-JTQLQIEISA-N 1 0 245.288 3.636 20 0 BHADRO CC[C@@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000532212559 323210088 /nfs/dbraw/zinc/21/00/88/323210088.db2.gz BHQLNKUQNMMTMI-SNVBAGLBSA-N 1 0 245.288 3.636 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccc(F)cc1 ZINC000532213973 323210210 /nfs/dbraw/zinc/21/02/10/323210210.db2.gz LTPKEHYLIQMSMG-NEPJUHHUSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)c1ccc(F)cc1 ZINC000532213974 323210199 /nfs/dbraw/zinc/21/01/99/323210199.db2.gz LTPKEHYLIQMSMG-NWDGAFQWSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccc(F)cc1 ZINC000532213975 323210090 /nfs/dbraw/zinc/21/00/90/323210090.db2.gz LTPKEHYLIQMSMG-RYUDHWBXSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000532213976 323210190 /nfs/dbraw/zinc/21/01/90/323210190.db2.gz LTPKEHYLIQMSMG-VXGBXAGGSA-N 1 0 237.362 3.953 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccccc1O ZINC000532216804 323210025 /nfs/dbraw/zinc/21/00/25/323210025.db2.gz RJGXCLVZSIYPTQ-AWEZNQCLSA-N 1 0 247.382 3.659 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccccc1O ZINC000532216805 323210144 /nfs/dbraw/zinc/21/01/44/323210144.db2.gz RJGXCLVZSIYPTQ-CQSZACIVSA-N 1 0 247.382 3.659 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000532223410 323210062 /nfs/dbraw/zinc/21/00/62/323210062.db2.gz DGGFDKRTQPFWJL-CYBMUJFWSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000532223411 323210034 /nfs/dbraw/zinc/21/00/34/323210034.db2.gz DGGFDKRTQPFWJL-ZDUSSCGKSA-N 1 0 243.394 3.877 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000532224710 323211729 /nfs/dbraw/zinc/21/17/29/323211729.db2.gz VWJIRAKXRLASDP-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000532224712 323211733 /nfs/dbraw/zinc/21/17/33/323211733.db2.gz VWJIRAKXRLASDP-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000532224713 323211578 /nfs/dbraw/zinc/21/15/78/323211578.db2.gz VWJIRAKXRLASDP-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000532224714 323211737 /nfs/dbraw/zinc/21/17/37/323211737.db2.gz VWJIRAKXRLASDP-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC2CC2)C1 ZINC000532224734 323211700 /nfs/dbraw/zinc/21/17/00/323211700.db2.gz XQRODBYPRXEJPN-ABAIWWIYSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC2CC2)C1 ZINC000532224739 323211652 /nfs/dbraw/zinc/21/16/52/323211652.db2.gz XQRODBYPRXEJPN-IAQYHMDHSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC2CC2)C1 ZINC000532224740 323211762 /nfs/dbraw/zinc/21/17/62/323211762.db2.gz XQRODBYPRXEJPN-NHYWBVRUSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC2CC2)C1 ZINC000532224741 323211695 /nfs/dbraw/zinc/21/16/95/323211695.db2.gz XQRODBYPRXEJPN-XHDPSFHLSA-N 1 0 233.330 3.619 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000532224903 323211493 /nfs/dbraw/zinc/21/14/93/323211493.db2.gz LMBLZMHJDNCLTE-GDBMZVCRSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000532224905 323211651 /nfs/dbraw/zinc/21/16/51/323211651.db2.gz LMBLZMHJDNCLTE-GOEBONIOSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000532224906 323211637 /nfs/dbraw/zinc/21/16/37/323211637.db2.gz LMBLZMHJDNCLTE-HOCLYGCPSA-N 1 0 249.398 3.851 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000532224907 323211709 /nfs/dbraw/zinc/21/17/09/323211709.db2.gz LMBLZMHJDNCLTE-ZBFHGGJFSA-N 1 0 249.398 3.851 20 0 BHADRO CCc1ccc(CC[NH2+][C@H](C)c2ccoc2)cc1 ZINC000532225442 323210106 /nfs/dbraw/zinc/21/01/06/323210106.db2.gz ZKPPPYNRPUETEF-CYBMUJFWSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000532225443 323210223 /nfs/dbraw/zinc/21/02/23/323210223.db2.gz ZKPPPYNRPUETEF-ZDUSSCGKSA-N 1 0 243.350 3.735 20 0 BHADRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000532225842 323210597 /nfs/dbraw/zinc/21/05/97/323210597.db2.gz BWUFYKKXIZMZPJ-DZGCQCFKSA-N 1 0 241.419 3.508 20 0 BHADRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)CCC=C(C)C ZINC000532225843 323210606 /nfs/dbraw/zinc/21/06/06/323210606.db2.gz BWUFYKKXIZMZPJ-HIFRSBDPSA-N 1 0 241.419 3.508 20 0 BHADRO CCC(CC)[C@H](O)C[NH2+][C@H](C)CCC=C(C)C ZINC000532225844 323210655 /nfs/dbraw/zinc/21/06/55/323210655.db2.gz BWUFYKKXIZMZPJ-UKRRQHHQSA-N 1 0 241.419 3.508 20 0 BHADRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000532225845 323210541 /nfs/dbraw/zinc/21/05/41/323210541.db2.gz BWUFYKKXIZMZPJ-ZFWWWQNUSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C(C)C ZINC000532231956 323210386 /nfs/dbraw/zinc/21/03/86/323210386.db2.gz HWULSPULBGSGBW-HNNXBMFYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C(C)C ZINC000532231957 323210537 /nfs/dbraw/zinc/21/05/37/323210537.db2.gz HWULSPULBGSGBW-OAHLLOKOSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)c(OC)c1)C(C)C ZINC000532232544 323210612 /nfs/dbraw/zinc/21/06/12/323210612.db2.gz NTIPYDJKTSMZGE-HNNXBMFYSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)c(OC)c1)C(C)C ZINC000532232545 323210307 /nfs/dbraw/zinc/21/03/07/323210307.db2.gz NTIPYDJKTSMZGE-OAHLLOKOSA-N 1 0 249.398 3.570 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000532233866 323210919 /nfs/dbraw/zinc/21/09/19/323210919.db2.gz VVTRWICBFOATCB-CHWSQXEVSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000532233867 323210962 /nfs/dbraw/zinc/21/09/62/323210962.db2.gz VVTRWICBFOATCB-OLZOCXBDSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000532233868 323210806 /nfs/dbraw/zinc/21/08/06/323210806.db2.gz VVTRWICBFOATCB-QWHCGFSZSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000532233869 323210813 /nfs/dbraw/zinc/21/08/13/323210813.db2.gz VVTRWICBFOATCB-STQMWFEESA-N 1 0 249.373 3.882 20 0 BHADRO CCCC(CCC)[NH2+]CC1CCC(OC)CC1 ZINC000532235584 323210804 /nfs/dbraw/zinc/21/08/04/323210804.db2.gz BRXVVZXGAIWWGY-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)o1 ZINC000532235974 323210882 /nfs/dbraw/zinc/21/08/82/323210882.db2.gz AKYXWQJBCWXTIR-HUBLWGQQSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)o1 ZINC000532235975 323210952 /nfs/dbraw/zinc/21/09/52/323210952.db2.gz AKYXWQJBCWXTIR-SLEUVZQESA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)o1 ZINC000532235976 323210926 /nfs/dbraw/zinc/21/09/26/323210926.db2.gz AKYXWQJBCWXTIR-TYNCELHUSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]2C)o1 ZINC000532235977 323210825 /nfs/dbraw/zinc/21/08/25/323210825.db2.gz AKYXWQJBCWXTIR-XUJVJEKNSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000532239625 323211127 /nfs/dbraw/zinc/21/11/27/323211127.db2.gz HFFJPHYBAUZQLA-QLFBSQMISA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CCC=C(C)C ZINC000532239626 323211084 /nfs/dbraw/zinc/21/10/84/323211084.db2.gz HFFJPHYBAUZQLA-RBSFLKMASA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CCC=C(C)C ZINC000532239627 323211121 /nfs/dbraw/zinc/21/11/21/323211121.db2.gz HFFJPHYBAUZQLA-RRFJBIMHSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000532239628 323211146 /nfs/dbraw/zinc/21/11/46/323211146.db2.gz HFFJPHYBAUZQLA-SOUVJXGZSA-N 1 0 241.419 3.508 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(C)c1)C(C)(C)C ZINC000532239681 323211202 /nfs/dbraw/zinc/21/12/02/323211202.db2.gz WHFQLSPPFQKNMR-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1cccc(C)c1)C(C)(C)C ZINC000532239682 323211095 /nfs/dbraw/zinc/21/10/95/323211095.db2.gz WHFQLSPPFQKNMR-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1cccc(C)c1)C(C)(C)C ZINC000532239683 323211227 /nfs/dbraw/zinc/21/12/27/323211227.db2.gz WHFQLSPPFQKNMR-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C)c1)C(C)(C)C ZINC000532239684 323211142 /nfs/dbraw/zinc/21/11/42/323211142.db2.gz WHFQLSPPFQKNMR-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C)cc1OCC1CC1 ZINC000532247318 323211982 /nfs/dbraw/zinc/21/19/82/323211982.db2.gz BZDIFPNUIXIZCH-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C)cc1OCC1CC1 ZINC000532247319 323212179 /nfs/dbraw/zinc/21/21/79/323212179.db2.gz BZDIFPNUIXIZCH-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000532247781 323211914 /nfs/dbraw/zinc/21/19/14/323211914.db2.gz UUIHYOXCTYWERM-INIZCTEOSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000532247785 323212089 /nfs/dbraw/zinc/21/20/89/323212089.db2.gz UUIHYOXCTYWERM-MRXNPFEDSA-N 1 0 247.382 3.528 20 0 BHADRO C[C@H]1C[NH+](Cc2cc3ccccc3o2)C[C@@H]1C ZINC000532267777 323212744 /nfs/dbraw/zinc/21/27/44/323212744.db2.gz BIJVUMJXNLZDOD-RYUDHWBXSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC000532267780 323212832 /nfs/dbraw/zinc/21/28/32/323212832.db2.gz BIJVUMJXNLZDOD-TXEJJXNPSA-N 1 0 229.323 3.521 20 0 BHADRO C[C@@H]1C[NH+](Cc2cc3ccccc3o2)C[C@H]1C ZINC000532267781 323212778 /nfs/dbraw/zinc/21/27/78/323212778.db2.gz BIJVUMJXNLZDOD-VXGBXAGGSA-N 1 0 229.323 3.521 20 0 BHADRO Cc1ccc(C)c(CN(CC(F)F)C(C)C)c1 ZINC000532267941 323212766 /nfs/dbraw/zinc/21/27/66/323212766.db2.gz CQQCDOTYHJEDAS-UHFFFAOYSA-N 1 0 241.325 3.779 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000532267953 323212640 /nfs/dbraw/zinc/21/26/40/323212640.db2.gz JKSBRGBRNRQCSZ-LLVKDONJSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000532267954 323212738 /nfs/dbraw/zinc/21/27/38/323212738.db2.gz JKSBRGBRNRQCSZ-NSHDSACASA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000532268070 323212773 /nfs/dbraw/zinc/21/27/73/323212773.db2.gz TVHOVKUFXMFMHL-LLVKDONJSA-N 1 0 237.309 3.984 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000532268071 323212611 /nfs/dbraw/zinc/21/26/11/323212611.db2.gz TVHOVKUFXMFMHL-NSHDSACASA-N 1 0 237.309 3.984 20 0 BHADRO CC1(C)CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000532268086 323212852 /nfs/dbraw/zinc/21/28/52/323212852.db2.gz WTLONBXOSHXKEC-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000532293282 323213861 /nfs/dbraw/zinc/21/38/61/323213861.db2.gz FZRLJOKAMAVDBY-CXOKCQFOSA-N 1 0 229.367 3.678 20 0 BHADRO CC(C)[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000532293283 323213994 /nfs/dbraw/zinc/21/39/94/323213994.db2.gz FZRLJOKAMAVDBY-FSNWXROXSA-N 1 0 229.367 3.678 20 0 BHADRO CC(C)[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000532293284 323214086 /nfs/dbraw/zinc/21/40/86/323214086.db2.gz FZRLJOKAMAVDBY-HWYHOQROSA-N 1 0 229.367 3.678 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000532293285 323214034 /nfs/dbraw/zinc/21/40/34/323214034.db2.gz FZRLJOKAMAVDBY-YXMGTMDOSA-N 1 0 229.367 3.678 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000532293372 323213962 /nfs/dbraw/zinc/21/39/62/323213962.db2.gz XDWRBZUOFNGPHT-LLVKDONJSA-N 1 0 223.747 3.572 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000532293382 323214118 /nfs/dbraw/zinc/21/41/18/323214118.db2.gz XDWRBZUOFNGPHT-NSHDSACASA-N 1 0 223.747 3.572 20 0 BHADRO Clc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000532312165 323215368 /nfs/dbraw/zinc/21/53/68/323215368.db2.gz KPGIPTULQBZFIR-RYUDHWBXSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000532312167 323215546 /nfs/dbraw/zinc/21/55/46/323215546.db2.gz KPGIPTULQBZFIR-VXGBXAGGSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000532312193 323215605 /nfs/dbraw/zinc/21/56/05/323215605.db2.gz SBSOEEIYMUFNIU-CHWSQXEVSA-N 1 0 235.758 3.572 20 0 BHADRO Clc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000532312194 323215421 /nfs/dbraw/zinc/21/54/21/323215421.db2.gz SBSOEEIYMUFNIU-STQMWFEESA-N 1 0 235.758 3.572 20 0 BHADRO Cc1cc(C)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000532312961 323215888 /nfs/dbraw/zinc/21/58/88/323215888.db2.gz IOQZKSOIUHPSKN-HOTGVXAUSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cc(C)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000532312962 323216091 /nfs/dbraw/zinc/21/60/91/323216091.db2.gz IOQZKSOIUHPSKN-HZPDHXFCSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000532312963 323215855 /nfs/dbraw/zinc/21/58/55/323215855.db2.gz IOQZKSOIUHPSKN-IYBDPMFKSA-N 1 0 229.367 3.535 20 0 BHADRO CC(C)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000532313067 323218313 /nfs/dbraw/zinc/21/83/13/323218313.db2.gz AVZABPISFKHYJV-UHFFFAOYSA-N 1 0 233.330 3.713 20 0 BHADRO CC(C)OCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000532398768 323258544 /nfs/dbraw/zinc/25/85/44/323258544.db2.gz ZAXMYYSPOXHODG-UHFFFAOYSA-N 1 0 249.398 3.712 20 0 BHADRO CC(C)C[N@H+](CCC(F)(F)F)CC(C)(C)C ZINC000532398914 323258672 /nfs/dbraw/zinc/25/86/72/323258672.db2.gz PQGUDDGFEBAKSA-UHFFFAOYSA-N 1 0 239.325 3.943 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000532421329 356420563 /nfs/dbraw/zinc/42/05/63/356420563.db2.gz GLWOIOOLSFTESI-UHFFFAOYSA-N 1 0 217.356 3.652 20 0 BHADRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)CC1CC1 ZINC000532421333 356420382 /nfs/dbraw/zinc/42/03/82/356420382.db2.gz HSGCQEGWZXTFRN-CYBMUJFWSA-N 1 0 229.367 3.697 20 0 BHADRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)CC1CC1 ZINC000532421334 356420488 /nfs/dbraw/zinc/42/04/88/356420488.db2.gz HSGCQEGWZXTFRN-ZDUSSCGKSA-N 1 0 229.367 3.697 20 0 BHADRO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1c1ccccc1 ZINC000532422349 356420466 /nfs/dbraw/zinc/42/04/66/356420466.db2.gz CZAKZPILCFBILW-BBRMVZONSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1c1ccccc1 ZINC000532422350 356420532 /nfs/dbraw/zinc/42/05/32/356420532.db2.gz CZAKZPILCFBILW-CJNGLKHVSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1c1ccccc1 ZINC000532422351 356420570 /nfs/dbraw/zinc/42/05/70/356420570.db2.gz CZAKZPILCFBILW-CZUORRHYSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1c1ccccc1 ZINC000532422352 356420581 /nfs/dbraw/zinc/42/05/81/356420581.db2.gz CZAKZPILCFBILW-XJKSGUPXSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CC2)[C@@H]1c1cccc(F)c1 ZINC000532422505 323261615 /nfs/dbraw/zinc/26/16/15/323261615.db2.gz IENAMOFMTZXCBT-ABAIWWIYSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@@H]1CC[N@H+](CC2CC2)[C@H]1c1cccc(F)c1 ZINC000532422514 323262074 /nfs/dbraw/zinc/26/20/74/323262074.db2.gz IENAMOFMTZXCBT-IAQYHMDHSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1CC[N@H+](CC2CC2)[C@@H]1c1cccc(F)c1 ZINC000532422515 323261741 /nfs/dbraw/zinc/26/17/41/323261741.db2.gz IENAMOFMTZXCBT-NHYWBVRUSA-N 1 0 233.330 3.619 20 0 BHADRO C[C@H]1CC[N@H+](CC2CC2)[C@H]1c1cccc(F)c1 ZINC000532422516 323262120 /nfs/dbraw/zinc/26/21/20/323262120.db2.gz IENAMOFMTZXCBT-XHDPSFHLSA-N 1 0 233.330 3.619 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC1CC1 ZINC000532422965 323262086 /nfs/dbraw/zinc/26/20/86/323262086.db2.gz YUVZQIJHGNZIAZ-INIZCTEOSA-N 1 0 231.383 3.658 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC1CC1 ZINC000532422966 323262017 /nfs/dbraw/zinc/26/20/17/323262017.db2.gz YUVZQIJHGNZIAZ-MRXNPFEDSA-N 1 0 231.383 3.658 20 0 BHADRO c1coc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000532442102 323264864 /nfs/dbraw/zinc/26/48/64/323264864.db2.gz LEZWIPKQLJHFPC-INIZCTEOSA-N 1 0 241.334 3.911 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000532442103 323264962 /nfs/dbraw/zinc/26/49/62/323264962.db2.gz ZBXIAVYFLWGLBG-SECBINFHSA-N 1 0 245.288 3.801 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000532442105 323265329 /nfs/dbraw/zinc/26/53/29/323265329.db2.gz ZBXIAVYFLWGLBG-VIFPVBQESA-N 1 0 245.288 3.801 20 0 BHADRO c1coc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000532442107 323265015 /nfs/dbraw/zinc/26/50/15/323265015.db2.gz LEZWIPKQLJHFPC-MRXNPFEDSA-N 1 0 241.334 3.911 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000532442199 323265153 /nfs/dbraw/zinc/26/51/53/323265153.db2.gz HBRDRESRLZWOIC-HNNXBMFYSA-N 1 0 231.383 3.954 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000532442200 323265231 /nfs/dbraw/zinc/26/52/31/323265231.db2.gz HBRDRESRLZWOIC-OAHLLOKOSA-N 1 0 231.383 3.954 20 0 BHADRO CCOCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000532445473 323265102 /nfs/dbraw/zinc/26/51/02/323265102.db2.gz SHSKAPJQMMOECP-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCOCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532445475 323265150 /nfs/dbraw/zinc/26/51/50/323265150.db2.gz SHSKAPJQMMOECP-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000532446293 323265603 /nfs/dbraw/zinc/26/56/03/323265603.db2.gz YPPOPTIJHUQWJV-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccccc2C)o1 ZINC000532446294 323266168 /nfs/dbraw/zinc/26/61/68/323266168.db2.gz YPPOPTIJHUQWJV-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000532447892 323265689 /nfs/dbraw/zinc/26/56/89/323265689.db2.gz NDPWECXGCJKAHD-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000532447894 323265867 /nfs/dbraw/zinc/26/58/67/323265867.db2.gz NDPWECXGCJKAHD-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000532447895 323265730 /nfs/dbraw/zinc/26/57/30/323265730.db2.gz NDPWECXGCJKAHD-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000532447896 323266086 /nfs/dbraw/zinc/26/60/86/323266086.db2.gz NDPWECXGCJKAHD-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccccc2F)o1 ZINC000532449790 323264104 /nfs/dbraw/zinc/26/41/04/323264104.db2.gz HOYXXJWEOKWLPQ-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000532449795 323264523 /nfs/dbraw/zinc/26/45/23/323264523.db2.gz HOYXXJWEOKWLPQ-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000532450609 323266172 /nfs/dbraw/zinc/26/61/72/323266172.db2.gz DNPQBOVCSGQPEI-CYBMUJFWSA-N 1 0 235.371 3.855 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000532450610 323266123 /nfs/dbraw/zinc/26/61/23/323266123.db2.gz DNPQBOVCSGQPEI-ZDUSSCGKSA-N 1 0 235.371 3.855 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000532451580 323268295 /nfs/dbraw/zinc/26/82/95/323268295.db2.gz RQZDNWUVPAQAAW-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000532451581 323268312 /nfs/dbraw/zinc/26/83/12/323268312.db2.gz RQZDNWUVPAQAAW-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CCC1(C)CCC([NH2+]CCc2ccco2)CC1 ZINC000532460182 323265656 /nfs/dbraw/zinc/26/56/56/323265656.db2.gz UEPCBZBAWYUMBU-UHFFFAOYSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)C(C)(C)c1ccccc1 ZINC000532461255 323266552 /nfs/dbraw/zinc/26/65/52/323266552.db2.gz NPJPCOVBGPAQKC-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)C(C)(C)c1ccccc1 ZINC000532461258 323267007 /nfs/dbraw/zinc/26/70/07/323267007.db2.gz NPJPCOVBGPAQKC-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCOC1CCCC1 ZINC000532461630 323266841 /nfs/dbraw/zinc/26/68/41/323266841.db2.gz JFFQOOKMWNOLBO-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCOC1CCCC1 ZINC000532461631 323266490 /nfs/dbraw/zinc/26/64/90/323266490.db2.gz JFFQOOKMWNOLBO-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCOC1CCCC1 ZINC000532461632 323266628 /nfs/dbraw/zinc/26/66/28/323266628.db2.gz JFFQOOKMWNOLBO-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCOC1CCCC1 ZINC000532461633 323266686 /nfs/dbraw/zinc/26/66/86/323266686.db2.gz JFFQOOKMWNOLBO-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO COc1cc(C[NH2+][C@@H](C(C)C)C2CC2)ccc1C ZINC000532467727 323266920 /nfs/dbraw/zinc/26/69/20/323266920.db2.gz DPPWWWOWGDVNGV-INIZCTEOSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+][C@H](C(C)C)C2CC2)ccc1C ZINC000532467729 323266901 /nfs/dbraw/zinc/26/69/01/323266901.db2.gz DPPWWWOWGDVNGV-MRXNPFEDSA-N 1 0 247.382 3.528 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000532468162 323266999 /nfs/dbraw/zinc/26/69/99/323266999.db2.gz IYLAXXOVPAHEGI-CABCVRRESA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000532468163 323266405 /nfs/dbraw/zinc/26/64/05/323266405.db2.gz IYLAXXOVPAHEGI-GJZGRUSLSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000532468164 323266924 /nfs/dbraw/zinc/26/69/24/323266924.db2.gz IYLAXXOVPAHEGI-HUUCEWRRSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000532468165 323266534 /nfs/dbraw/zinc/26/65/34/323266534.db2.gz IYLAXXOVPAHEGI-LSDHHAIUSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1ccc(C[NH2+]CCc2c(C)cccc2C)o1 ZINC000532470267 323267723 /nfs/dbraw/zinc/26/77/23/323267723.db2.gz CHUSPQVWUAGWIZ-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475729 323270146 /nfs/dbraw/zinc/27/01/46/323270146.db2.gz SXSDFHLVKZOYLB-MDZLAQPJSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475730 323269972 /nfs/dbraw/zinc/26/99/72/323269972.db2.gz SXSDFHLVKZOYLB-NQBHXWOUSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475731 323270214 /nfs/dbraw/zinc/27/02/14/323270214.db2.gz SXSDFHLVKZOYLB-NTZNESFSSA-N 1 0 233.355 3.681 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475732 323270024 /nfs/dbraw/zinc/27/00/24/323270024.db2.gz SXSDFHLVKZOYLB-WZRBSPASSA-N 1 0 233.355 3.681 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCC2)cc(C)c1F ZINC000532475735 323269893 /nfs/dbraw/zinc/26/98/93/323269893.db2.gz KCVCVOIIPAJWAB-GFCCVEGCSA-N 1 0 235.346 3.893 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCC2)cc(C)c1F ZINC000532475742 323270161 /nfs/dbraw/zinc/27/01/61/323270161.db2.gz KCVCVOIIPAJWAB-LBPRGKRZSA-N 1 0 235.346 3.893 20 0 BHADRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)C ZINC000532476145 323270223 /nfs/dbraw/zinc/27/02/23/323270223.db2.gz ITEWMRPPOUYSBX-HZMBPMFUSA-N 1 0 235.346 3.695 20 0 BHADRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)C ZINC000532476147 323269786 /nfs/dbraw/zinc/26/97/86/323269786.db2.gz ITEWMRPPOUYSBX-IINYFYTJSA-N 1 0 235.346 3.695 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)C ZINC000532476149 323270092 /nfs/dbraw/zinc/27/00/92/323270092.db2.gz ITEWMRPPOUYSBX-QMTHXVAHSA-N 1 0 235.346 3.695 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)C ZINC000532476151 323269792 /nfs/dbraw/zinc/26/97/92/323269792.db2.gz ITEWMRPPOUYSBX-YGRLFVJLSA-N 1 0 235.346 3.695 20 0 BHADRO CC1(C)C[C@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000532476152 323270292 /nfs/dbraw/zinc/27/02/92/323270292.db2.gz HAJAPHCBKZWOLV-HNNXBMFYSA-N 1 0 229.367 3.799 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000532476154 323270089 /nfs/dbraw/zinc/27/00/89/323270089.db2.gz HAJAPHCBKZWOLV-OAHLLOKOSA-N 1 0 229.367 3.799 20 0 BHADRO c1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)co1 ZINC000532476822 323269907 /nfs/dbraw/zinc/26/99/07/323269907.db2.gz PTNVFHOZOYKZNN-INIZCTEOSA-N 1 0 241.334 3.911 20 0 BHADRO c1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)co1 ZINC000532476823 323269918 /nfs/dbraw/zinc/26/99/18/323269918.db2.gz PTNVFHOZOYKZNN-MRXNPFEDSA-N 1 0 241.334 3.911 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCO1 ZINC000532486294 323270787 /nfs/dbraw/zinc/27/07/87/323270787.db2.gz QRKUSNOBWKBNKB-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000532486295 323270674 /nfs/dbraw/zinc/27/06/74/323270674.db2.gz QRKUSNOBWKBNKB-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCO1 ZINC000532486297 323270694 /nfs/dbraw/zinc/27/06/94/323270694.db2.gz QRKUSNOBWKBNKB-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000532486396 323270937 /nfs/dbraw/zinc/27/09/37/323270937.db2.gz QRKUSNOBWKBNKB-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000532487977 323270820 /nfs/dbraw/zinc/27/08/20/323270820.db2.gz UQCSLGFMTFBPSJ-AWEZNQCLSA-N 1 0 219.372 3.514 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000532487978 323270531 /nfs/dbraw/zinc/27/05/31/323270531.db2.gz UQCSLGFMTFBPSJ-CQSZACIVSA-N 1 0 219.372 3.514 20 0 BHADRO CCc1nc(C[N@H+](C)[C@@H](C)C(C)(C)C)cs1 ZINC000532489356 323267993 /nfs/dbraw/zinc/26/79/93/323267993.db2.gz TXUYQFDQQLJZDU-JTQLQIEISA-N 1 0 240.416 3.572 20 0 BHADRO CCc1nc(C[N@H+](C)[C@H](C)C(C)(C)C)cs1 ZINC000532489375 323268172 /nfs/dbraw/zinc/26/81/72/323268172.db2.gz TXUYQFDQQLJZDU-SNVBAGLBSA-N 1 0 240.416 3.572 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000532490014 323268304 /nfs/dbraw/zinc/26/83/04/323268304.db2.gz HDZPTIRIQFULIR-JTQLQIEISA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000532490029 323268933 /nfs/dbraw/zinc/26/89/33/323268933.db2.gz HDZPTIRIQFULIR-SNVBAGLBSA-N 1 0 241.325 3.831 20 0 BHADRO Clc1ccccc1CC[NH2+]C(C1CC1)C1CC1 ZINC000532491549 323269179 /nfs/dbraw/zinc/26/91/79/323269179.db2.gz AZDPITGIBDKOSL-UHFFFAOYSA-N 1 0 249.785 3.661 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000532492397 323269437 /nfs/dbraw/zinc/26/94/37/323269437.db2.gz RKRQHZKZYLRBIJ-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000532492408 323269251 /nfs/dbraw/zinc/26/92/51/323269251.db2.gz RKRQHZKZYLRBIJ-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000532494914 323270187 /nfs/dbraw/zinc/27/01/87/323270187.db2.gz GLLFVJABQNFTDK-RRFJBIMHSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000532494915 323269944 /nfs/dbraw/zinc/26/99/44/323269944.db2.gz GLLFVJABQNFTDK-SOUVJXGZSA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000532495106 323269940 /nfs/dbraw/zinc/26/99/40/323269940.db2.gz XQTZEIAVCIDIBM-GFCCVEGCSA-N 1 0 235.346 3.636 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000532495107 323270260 /nfs/dbraw/zinc/27/02/60/323270260.db2.gz XQTZEIAVCIDIBM-LBPRGKRZSA-N 1 0 235.346 3.636 20 0 BHADRO C[C@H](N[C@H]1CSc2ccccc21)c1ccoc1 ZINC000532500546 323271016 /nfs/dbraw/zinc/27/10/16/323271016.db2.gz PBQIJKAGZATUGH-GWCFXTLKSA-N 1 0 245.347 3.777 20 0 BHADRO C[C@H](N[C@@H]1CSc2ccccc21)c1ccoc1 ZINC000532500547 323270851 /nfs/dbraw/zinc/27/08/51/323270851.db2.gz PBQIJKAGZATUGH-GXFFZTMASA-N 1 0 245.347 3.777 20 0 BHADRO C[C@@H](N[C@H]1CSc2ccccc21)c1ccoc1 ZINC000532500548 323270968 /nfs/dbraw/zinc/27/09/68/323270968.db2.gz PBQIJKAGZATUGH-MFKMUULPSA-N 1 0 245.347 3.777 20 0 BHADRO C[C@@H](N[C@@H]1CSc2ccccc21)c1ccoc1 ZINC000532500549 323270810 /nfs/dbraw/zinc/27/08/10/323270810.db2.gz PBQIJKAGZATUGH-ZWNOBZJWSA-N 1 0 245.347 3.777 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(OC(C)C)cc1 ZINC000532502162 323271727 /nfs/dbraw/zinc/27/17/27/323271727.db2.gz GXDLJOAZGZERPL-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000532503148 323271761 /nfs/dbraw/zinc/27/17/61/323271761.db2.gz CFEOHZWNYKNWBS-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000532503149 323271688 /nfs/dbraw/zinc/27/16/88/323271688.db2.gz CFEOHZWNYKNWBS-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CCc1ccc(CC[NH2+][C@H](C)c2ccco2)cc1 ZINC000532503693 487603203 /nfs/dbraw/zinc/60/32/03/487603203.db2.gz BMDAAXFWFBSBRF-CYBMUJFWSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H](C)c2ccco2)cc1 ZINC000532503695 487603614 /nfs/dbraw/zinc/60/36/14/487603614.db2.gz BMDAAXFWFBSBRF-ZDUSSCGKSA-N 1 0 243.350 3.735 20 0 BHADRO CCc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000532503999 323271372 /nfs/dbraw/zinc/27/13/72/323271372.db2.gz QBCUUXHTGKRIGE-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532504196 323271379 /nfs/dbraw/zinc/27/13/79/323271379.db2.gz GKKHBYGAYQDDTN-HZSPNIEDSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000532504199 323271749 /nfs/dbraw/zinc/27/17/49/323271749.db2.gz GKKHBYGAYQDDTN-IHRRRGAJSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532504200 323271385 /nfs/dbraw/zinc/27/13/85/323271385.db2.gz GKKHBYGAYQDDTN-MCIONIFRSA-N 1 0 249.423 3.882 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532504201 323271551 /nfs/dbraw/zinc/27/15/51/323271551.db2.gz GKKHBYGAYQDDTN-MJBXVCDLSA-N 1 0 249.423 3.882 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000532505439 323271531 /nfs/dbraw/zinc/27/15/31/323271531.db2.gz GMZSRAYHOSXXKD-BPUTZDHNSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000532505446 323271933 /nfs/dbraw/zinc/27/19/33/323271933.db2.gz GMZSRAYHOSXXKD-CWRNSKLLSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000532505447 323271528 /nfs/dbraw/zinc/27/15/28/323271528.db2.gz GMZSRAYHOSXXKD-IMJJTQAJSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000532505450 323271505 /nfs/dbraw/zinc/27/15/05/323271505.db2.gz GMZSRAYHOSXXKD-NUEKZKHPSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000532505555 323271753 /nfs/dbraw/zinc/27/17/53/323271753.db2.gz NVLOSBMDHQDDAL-CHWSQXEVSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000532505563 323272583 /nfs/dbraw/zinc/27/25/83/323272583.db2.gz NVLOSBMDHQDDAL-OLZOCXBDSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000532505564 323272526 /nfs/dbraw/zinc/27/25/26/323272526.db2.gz NVLOSBMDHQDDAL-QWHCGFSZSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000532505565 323272564 /nfs/dbraw/zinc/27/25/64/323272564.db2.gz NVLOSBMDHQDDAL-STQMWFEESA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccc(F)c1)C(C)C ZINC000532506878 323272167 /nfs/dbraw/zinc/27/21/67/323272167.db2.gz YTBQYSFTGBTADT-HNNXBMFYSA-N 1 0 237.362 3.783 20 0 BHADRO CC[C@@H]([NH2+]CCCc1cccc(F)c1)C(C)C ZINC000532506879 323272472 /nfs/dbraw/zinc/27/24/72/323272472.db2.gz YTBQYSFTGBTADT-OAHLLOKOSA-N 1 0 237.362 3.783 20 0 BHADRO CC(C)[C@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000532507613 323272202 /nfs/dbraw/zinc/27/22/02/323272202.db2.gz RLNADAALOZEPGJ-INIZCTEOSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000532507614 323272290 /nfs/dbraw/zinc/27/22/90/323272290.db2.gz RLNADAALOZEPGJ-MRXNPFEDSA-N 1 0 249.373 3.783 20 0 BHADRO CCC[N@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000532512598 323272452 /nfs/dbraw/zinc/27/24/52/323272452.db2.gz SNBMIRJLWBIGSZ-CYBMUJFWSA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000532512601 323272482 /nfs/dbraw/zinc/27/24/82/323272482.db2.gz SNBMIRJLWBIGSZ-ZDUSSCGKSA-N 1 0 227.298 3.758 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000532513844 323272465 /nfs/dbraw/zinc/27/24/65/323272465.db2.gz ZYIBAKYIQYPSQB-SECBINFHSA-N 1 0 229.726 3.882 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000532513845 323272212 /nfs/dbraw/zinc/27/22/12/323272212.db2.gz ZYIBAKYIQYPSQB-VIFPVBQESA-N 1 0 229.726 3.882 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+]C(C2CC2)C2CC2)c1 ZINC000532516933 323272281 /nfs/dbraw/zinc/27/22/81/323272281.db2.gz PZFRJJYRQJRDSE-CYBMUJFWSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+]C(C2CC2)C2CC2)c1 ZINC000532516934 323272574 /nfs/dbraw/zinc/27/25/74/323272574.db2.gz PZFRJJYRQJRDSE-ZDUSSCGKSA-N 1 0 243.394 3.877 20 0 BHADRO CCc1ccc(C[N@H+](C)CC2CCC2)s1 ZINC000532518060 323273256 /nfs/dbraw/zinc/27/32/56/323273256.db2.gz CNNAALVUBRLQOE-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1CC1 ZINC000532520647 323273222 /nfs/dbraw/zinc/27/32/22/323273222.db2.gz OIOVSEUIELDWEW-GDLVEWKHSA-N 1 0 247.357 3.837 20 0 BHADRO C[C@@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1CC1 ZINC000532520648 323273244 /nfs/dbraw/zinc/27/32/44/323273244.db2.gz OIOVSEUIELDWEW-GLKRBJQHSA-N 1 0 247.357 3.837 20 0 BHADRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1CC1 ZINC000532520649 323273248 /nfs/dbraw/zinc/27/32/48/323273248.db2.gz OIOVSEUIELDWEW-OHUAYANFSA-N 1 0 247.357 3.837 20 0 BHADRO C[C@@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1CC1 ZINC000532520650 323273307 /nfs/dbraw/zinc/27/33/07/323273307.db2.gz OIOVSEUIELDWEW-UVWXRNBGSA-N 1 0 247.357 3.837 20 0 BHADRO C1CC1C([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C1CC1 ZINC000532522795 323272180 /nfs/dbraw/zinc/27/21/80/323272180.db2.gz MDTRAVYIPOKPNB-BYCMXARLSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000532522796 323272612 /nfs/dbraw/zinc/27/26/12/323272612.db2.gz MDTRAVYIPOKPNB-DFBGVHRSSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000532522797 323272434 /nfs/dbraw/zinc/27/24/34/323272434.db2.gz MDTRAVYIPOKPNB-KCPJHIHWSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@H]1CC[C@H]2CCC[C@H]2C1)C1CC1 ZINC000532522798 323272337 /nfs/dbraw/zinc/27/23/37/323272337.db2.gz MDTRAVYIPOKPNB-UGFHNGPFSA-N 1 0 233.399 3.733 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccoc2)o1 ZINC000532527912 323273208 /nfs/dbraw/zinc/27/32/08/323273208.db2.gz ZIFNAMVXRYLYFX-AAEUAGOBSA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccoc2)o1 ZINC000532527913 323273319 /nfs/dbraw/zinc/27/33/19/323273319.db2.gz ZIFNAMVXRYLYFX-DGCLKSJQSA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccoc2)o1 ZINC000532527914 323273002 /nfs/dbraw/zinc/27/30/02/323273002.db2.gz ZIFNAMVXRYLYFX-WCQYABFASA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccoc2)o1 ZINC000532527915 323273199 /nfs/dbraw/zinc/27/31/99/323273199.db2.gz ZIFNAMVXRYLYFX-YPMHNXCESA-N 1 0 247.338 3.853 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2CCCCC2)o1 ZINC000532528819 323272953 /nfs/dbraw/zinc/27/29/53/323272953.db2.gz VVZZFVJMIJTDAW-GFCCVEGCSA-N 1 0 235.371 3.831 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2CCCCC2)o1 ZINC000532528820 323273229 /nfs/dbraw/zinc/27/32/29/323273229.db2.gz VVZZFVJMIJTDAW-LBPRGKRZSA-N 1 0 235.371 3.831 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)C(C)(C)C ZINC000532531788 323273960 /nfs/dbraw/zinc/27/39/60/323273960.db2.gz JJRUVJUTFFLBSL-KBPBESRZSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)CCC=C(C)C)C(C)(C)C ZINC000532531789 323273956 /nfs/dbraw/zinc/27/39/56/323273956.db2.gz JJRUVJUTFFLBSL-KGLIPLIRSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)CCC=C(C)C)C(C)(C)C ZINC000532531790 323274388 /nfs/dbraw/zinc/27/43/88/323274388.db2.gz JJRUVJUTFFLBSL-UONOGXRCSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)CCC=C(C)C)C(C)(C)C ZINC000532531791 323274036 /nfs/dbraw/zinc/27/40/36/323274036.db2.gz JJRUVJUTFFLBSL-ZIAGYGMSSA-N 1 0 241.419 3.772 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+][C@H](C)CC ZINC000532543454 323276239 /nfs/dbraw/zinc/27/62/39/323276239.db2.gz ZSQPGDKHDQVKER-CYBMUJFWSA-N 1 0 235.371 3.672 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)CC ZINC000532543455 323276657 /nfs/dbraw/zinc/27/66/57/323276657.db2.gz ZSQPGDKHDQVKER-ZDUSSCGKSA-N 1 0 235.371 3.672 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C)cc1OC(C)C ZINC000532543515 323276308 /nfs/dbraw/zinc/27/63/08/323276308.db2.gz MJOWBNXFWTWAKV-CYBMUJFWSA-N 1 0 235.371 3.670 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C)cc1OC(C)C ZINC000532543516 323276572 /nfs/dbraw/zinc/27/65/72/323276572.db2.gz MJOWBNXFWTWAKV-ZDUSSCGKSA-N 1 0 235.371 3.670 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)C ZINC000532549071 323276228 /nfs/dbraw/zinc/27/62/28/323276228.db2.gz JRSCEJGLTOGTFO-LLVKDONJSA-N 1 0 223.335 3.865 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)C ZINC000532549072 323276472 /nfs/dbraw/zinc/27/64/72/323276472.db2.gz JRSCEJGLTOGTFO-NSHDSACASA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC000532549215 323275826 /nfs/dbraw/zinc/27/58/26/323275826.db2.gz GLGLPHXFGOCIHW-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC000532549216 323275380 /nfs/dbraw/zinc/27/53/80/323275380.db2.gz GLGLPHXFGOCIHW-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC000532549217 323275886 /nfs/dbraw/zinc/27/58/86/323275886.db2.gz GLGLPHXFGOCIHW-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC000532549218 323275542 /nfs/dbraw/zinc/27/55/42/323275542.db2.gz GLGLPHXFGOCIHW-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000532550023 323277345 /nfs/dbraw/zinc/27/73/45/323277345.db2.gz MDIOJMZDYRGHKD-CABCVRRESA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000532550024 323277071 /nfs/dbraw/zinc/27/70/71/323277071.db2.gz MDIOJMZDYRGHKD-GJZGRUSLSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000532550025 323277306 /nfs/dbraw/zinc/27/73/06/323277306.db2.gz MDIOJMZDYRGHKD-HUUCEWRRSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000532550026 323276897 /nfs/dbraw/zinc/27/68/97/323276897.db2.gz MDIOJMZDYRGHKD-LSDHHAIUSA-N 1 0 246.398 3.737 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CC1CCC1 ZINC000532583923 323278142 /nfs/dbraw/zinc/27/81/42/323278142.db2.gz YUDNHGZMKSAKFU-JTQLQIEISA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CC1CCC1 ZINC000532584010 323278251 /nfs/dbraw/zinc/27/82/51/323278251.db2.gz YUDNHGZMKSAKFU-SNVBAGLBSA-N 1 0 239.309 3.758 20 0 BHADRO CCC(CC)[C@H](CC[NH2+]C1CCCCC1)OC ZINC000532617751 323280061 /nfs/dbraw/zinc/28/00/61/323280061.db2.gz RJDLHIWBBCKXMR-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+]C1CCCCC1)OC ZINC000532617752 323280273 /nfs/dbraw/zinc/28/02/73/323280273.db2.gz RJDLHIWBBCKXMR-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)N(Cc1cccc(Cl)c1)CC(F)F ZINC000532622943 323279378 /nfs/dbraw/zinc/27/93/78/323279378.db2.gz SIXGWJJAQTYARR-UHFFFAOYSA-N 1 0 247.716 3.816 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000532624114 323279547 /nfs/dbraw/zinc/27/95/47/323279547.db2.gz JSRFFPPTBQOIPU-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000532624115 323279570 /nfs/dbraw/zinc/27/95/70/323279570.db2.gz JSRFFPPTBQOIPU-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000532627653 323281773 /nfs/dbraw/zinc/28/17/73/323281773.db2.gz INPNWTLTBGPBNT-CYBMUJFWSA-N 1 0 239.309 3.663 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000532627654 323281676 /nfs/dbraw/zinc/28/16/76/323281676.db2.gz INPNWTLTBGPBNT-ZDUSSCGKSA-N 1 0 239.309 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000532629009 323284705 /nfs/dbraw/zinc/28/47/05/323284705.db2.gz ZAFHYGWELJEYOV-CYBMUJFWSA-N 1 0 239.309 3.663 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000532629011 323284746 /nfs/dbraw/zinc/28/47/46/323284746.db2.gz ZAFHYGWELJEYOV-ZDUSSCGKSA-N 1 0 239.309 3.663 20 0 BHADRO CC1([NH2+]C/C=C\c2ccc(F)cc2)CCCC1 ZINC000532672752 323287144 /nfs/dbraw/zinc/28/71/44/323287144.db2.gz MFSNPAPBGRSHBV-PLNGDYQASA-N 1 0 233.330 3.761 20 0 BHADRO CC1([NH2+]C/C=C/c2ccc(F)cc2)CCCC1 ZINC000532672753 323287119 /nfs/dbraw/zinc/28/71/19/323287119.db2.gz MFSNPAPBGRSHBV-SNAWJCMRSA-N 1 0 233.330 3.761 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000532687222 323290574 /nfs/dbraw/zinc/29/05/74/323290574.db2.gz ABHMLZSZPLZFCE-JTQLQIEISA-N 1 0 245.288 3.936 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000532687223 323290652 /nfs/dbraw/zinc/29/06/52/323290652.db2.gz ABHMLZSZPLZFCE-SNVBAGLBSA-N 1 0 245.288 3.936 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000532687455 323290745 /nfs/dbraw/zinc/29/07/45/323290745.db2.gz WAOUESQAMVVSJE-JTQLQIEISA-N 1 0 245.288 3.936 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000532687457 323290771 /nfs/dbraw/zinc/29/07/71/323290771.db2.gz WAOUESQAMVVSJE-SNVBAGLBSA-N 1 0 245.288 3.936 20 0 BHADRO CC(C)[N@H+](Cc1ccccc1)C1CCCC1 ZINC000532687494 323290737 /nfs/dbraw/zinc/29/07/37/323290737.db2.gz WSNXYOIZULAZFQ-UHFFFAOYSA-N 1 0 217.356 3.840 20 0 BHADRO CC(C)[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000532688429 323290369 /nfs/dbraw/zinc/29/03/69/323290369.db2.gz VLBKRNRMIXKJLH-UHFFFAOYSA-N 1 0 235.346 3.979 20 0 BHADRO COc1cccc(C[N@H+](C(C)C)C2CCCC2)c1 ZINC000532688690 323290378 /nfs/dbraw/zinc/29/03/78/323290378.db2.gz LBRXTWWYLUKPDD-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000532688863 323290240 /nfs/dbraw/zinc/29/02/40/323290240.db2.gz BYHKMHPENMUPTM-JTQLQIEISA-N 1 0 211.736 3.570 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000532688864 323290613 /nfs/dbraw/zinc/29/06/13/323290613.db2.gz BYHKMHPENMUPTM-SNVBAGLBSA-N 1 0 211.736 3.570 20 0 BHADRO CC(C)[N@H+](CCOC(C)(C)C)C1CCCCC1 ZINC000532692473 323289012 /nfs/dbraw/zinc/28/90/12/323289012.db2.gz WNERXAQFPGSACH-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC1CCCC1 ZINC000532703969 323290298 /nfs/dbraw/zinc/29/02/98/323290298.db2.gz PYEPWYITMJHQRV-CYBMUJFWSA-N 1 0 247.382 3.965 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC1CCCC1 ZINC000532703970 323290334 /nfs/dbraw/zinc/29/03/34/323290334.db2.gz PYEPWYITMJHQRV-ZDUSSCGKSA-N 1 0 247.382 3.965 20 0 BHADRO C(=C\c1ccccc1)\C[NH+](CC1CC1)CC1CC1 ZINC000532708179 323289569 /nfs/dbraw/zinc/28/95/69/323289569.db2.gz RKIRYNRPLGVQJO-DAXSKMNVSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C/c1ccccc1)\C[NH+](CC1CC1)CC1CC1 ZINC000532708187 323289928 /nfs/dbraw/zinc/28/99/28/323289928.db2.gz RKIRYNRPLGVQJO-QPJJXVBHSA-N 1 0 241.378 3.822 20 0 BHADRO C[C@@H](C[NH+](CC1CC1)CC1CC1)c1ccccc1 ZINC000532709060 323291421 /nfs/dbraw/zinc/29/14/21/323291421.db2.gz QMGUWAWFQRMTCR-AWEZNQCLSA-N 1 0 243.394 3.912 20 0 BHADRO C[C@H](C[NH+](CC1CC1)CC1CC1)c1ccccc1 ZINC000532709061 323291283 /nfs/dbraw/zinc/29/12/83/323291283.db2.gz QMGUWAWFQRMTCR-CQSZACIVSA-N 1 0 243.394 3.912 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000532717783 323292117 /nfs/dbraw/zinc/29/21/17/323292117.db2.gz VVGRPNWURJJVSE-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)CC1CCCC1 ZINC000532717784 323292273 /nfs/dbraw/zinc/29/22/73/323292273.db2.gz VVGRPNWURJJVSE-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000532724126 323292415 /nfs/dbraw/zinc/29/24/15/323292415.db2.gz YEGQZOCNSVXWQQ-LLVKDONJSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000532724127 323292310 /nfs/dbraw/zinc/29/23/10/323292310.db2.gz YEGQZOCNSVXWQQ-NSHDSACASA-N 1 0 237.309 3.839 20 0 BHADRO CCCC[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000532729413 323291262 /nfs/dbraw/zinc/29/12/62/323291262.db2.gz ASJFSSAODOOCGY-UHFFFAOYSA-N 1 0 245.366 3.584 20 0 BHADRO CC(C)[N@H+](C/C=C/c1ccccc1)C1CCC1 ZINC000532729678 323291450 /nfs/dbraw/zinc/29/14/50/323291450.db2.gz COQIKLHYORDOEM-JXMROGBWSA-N 1 0 229.367 3.963 20 0 BHADRO CC(C)[N@H+](C/C=C\c1ccccc1)C1CCC1 ZINC000532729679 323291114 /nfs/dbraw/zinc/29/11/14/323291114.db2.gz COQIKLHYORDOEM-YFHOEESVSA-N 1 0 229.367 3.963 20 0 BHADRO CCCC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000532731363 323291369 /nfs/dbraw/zinc/29/13/69/323291369.db2.gz MRJVOWBCJWLNME-UHFFFAOYSA-N 1 0 246.398 3.671 20 0 BHADRO Cc1ccc(CC[N@@H+](C(C)C)C2CCC2)cc1 ZINC000532734222 323292842 /nfs/dbraw/zinc/29/28/42/323292842.db2.gz PLZSBQWDKJLEJD-UHFFFAOYSA-N 1 0 231.383 3.800 20 0 BHADRO CC(C)[N@H+](CCCc1ccccc1)C1CCC1 ZINC000532734247 323293250 /nfs/dbraw/zinc/29/32/50/323293250.db2.gz SIIZKUKNIMZZIC-UHFFFAOYSA-N 1 0 231.383 3.882 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cccc(COC)c1 ZINC000532744796 323293177 /nfs/dbraw/zinc/29/31/77/323293177.db2.gz NXDGHLANUQLEIE-AWEZNQCLSA-N 1 0 249.398 3.701 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(COC)c1 ZINC000532744797 323292973 /nfs/dbraw/zinc/29/29/73/323292973.db2.gz NXDGHLANUQLEIE-CQSZACIVSA-N 1 0 249.398 3.701 20 0 BHADRO CS[C@H]1CCCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000532745263 323294252 /nfs/dbraw/zinc/29/42/52/323294252.db2.gz DPUZCYVNXJCGRM-HNNXBMFYSA-N 1 0 249.423 3.713 20 0 BHADRO CS[C@@H]1CCCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000532745264 323294053 /nfs/dbraw/zinc/29/40/53/323294053.db2.gz DPUZCYVNXJCGRM-OAHLLOKOSA-N 1 0 249.423 3.713 20 0 BHADRO CS[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC000532746267 323294166 /nfs/dbraw/zinc/29/41/66/323294166.db2.gz ZDXPVPKOVSTTFC-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CS[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC000532746268 323294260 /nfs/dbraw/zinc/29/42/60/323294260.db2.gz ZDXPVPKOVSTTFC-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)CCC2CC2)c1 ZINC000532746556 323294132 /nfs/dbraw/zinc/29/41/32/323294132.db2.gz SYDVVXDQJNBGAT-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)CCC2CC2)c1 ZINC000532747978 323294173 /nfs/dbraw/zinc/29/41/73/323294173.db2.gz YICOXZXMGVKKJX-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000532757095 323295239 /nfs/dbraw/zinc/29/52/39/323295239.db2.gz SQDVAAXIKJPYDG-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000532757108 323295111 /nfs/dbraw/zinc/29/51/11/323295111.db2.gz SQDVAAXIKJPYDG-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO Fc1ccc(C2([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000532785396 323296796 /nfs/dbraw/zinc/29/67/96/323296796.db2.gz JCYMGWPDXPRWIO-CYBMUJFWSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(C2([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000532785397 323296609 /nfs/dbraw/zinc/29/66/09/323296609.db2.gz JCYMGWPDXPRWIO-ZDUSSCGKSA-N 1 0 245.341 3.761 20 0 BHADRO c1ccc(C2([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000532785736 323296555 /nfs/dbraw/zinc/29/65/55/323296555.db2.gz UGUNVOUMQRABFE-AWEZNQCLSA-N 1 0 227.351 3.622 20 0 BHADRO c1ccc(C2([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000532785737 323296715 /nfs/dbraw/zinc/29/67/15/323296715.db2.gz UGUNVOUMQRABFE-CQSZACIVSA-N 1 0 227.351 3.622 20 0 BHADRO Fc1ccccc1C1([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000532786038 323297133 /nfs/dbraw/zinc/29/71/33/323297133.db2.gz BSVAGIJHAAYWLO-CYBMUJFWSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccccc1C1([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000532786039 323297228 /nfs/dbraw/zinc/29/72/28/323297228.db2.gz BSVAGIJHAAYWLO-ZDUSSCGKSA-N 1 0 245.341 3.761 20 0 BHADRO CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000532793139 323297961 /nfs/dbraw/zinc/29/79/61/323297961.db2.gz ZWPNGFAUXNGQQL-UHFFFAOYSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCCCCC1 ZINC000532903275 357502219 /nfs/dbraw/zinc/50/22/19/357502219.db2.gz PHULQAXAALLLAR-LLVKDONJSA-N 1 0 239.309 3.902 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCCCCC1 ZINC000532903282 357501859 /nfs/dbraw/zinc/50/18/59/357501859.db2.gz PHULQAXAALLLAR-NSHDSACASA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[NH+](CC)CC ZINC000532912092 323388154 /nfs/dbraw/zinc/38/81/54/323388154.db2.gz ZOISZJUQDHZEDG-CYBMUJFWSA-N 1 0 227.298 3.758 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[NH+](CC)CC ZINC000532912093 323388344 /nfs/dbraw/zinc/38/83/44/323388344.db2.gz ZOISZJUQDHZEDG-ZDUSSCGKSA-N 1 0 227.298 3.758 20 0 BHADRO CCC1CCC([N@H+](Cc2ccno2)C2CC2)CC1 ZINC000532919580 357838047 /nfs/dbraw/zinc/83/80/47/357838047.db2.gz SFZWJMJWSYQUMV-UHFFFAOYSA-N 1 0 248.370 3.608 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC1CC1 ZINC000532919671 357838676 /nfs/dbraw/zinc/83/86/76/357838676.db2.gz AHUQLAWQTKTNPE-AWEZNQCLSA-N 1 0 239.309 3.758 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC1CC1 ZINC000532919672 357838302 /nfs/dbraw/zinc/83/83/02/357838302.db2.gz AHUQLAWQTKTNPE-CQSZACIVSA-N 1 0 239.309 3.758 20 0 BHADRO Cc1ccc(CC[N@@H+](C)Cc2cccs2)cc1 ZINC000532919773 357839714 /nfs/dbraw/zinc/83/97/14/357839714.db2.gz MUHYUFURVANLPA-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO Cc1cc(C)c([C@H](C)[NH+]2CCSCC2)c(C)c1 ZINC000532921876 323390813 /nfs/dbraw/zinc/39/08/13/323390813.db2.gz SVRHXSJVLMNISY-AWEZNQCLSA-N 1 0 249.423 3.722 20 0 BHADRO Cc1cc(C)c([C@@H](C)[NH+]2CCSCC2)c(C)c1 ZINC000532921879 323390969 /nfs/dbraw/zinc/39/09/69/323390969.db2.gz SVRHXSJVLMNISY-CQSZACIVSA-N 1 0 249.423 3.722 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1ccno1 ZINC000532922671 323390959 /nfs/dbraw/zinc/39/09/59/323390959.db2.gz NDPZHTMHGDERNJ-UHFFFAOYSA-N 1 0 238.375 3.857 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000532925560 323397120 /nfs/dbraw/zinc/39/71/20/323397120.db2.gz XMMLWAJFCGQTDG-AWEZNQCLSA-N 1 0 243.350 3.824 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000532925561 323397495 /nfs/dbraw/zinc/39/74/95/323397495.db2.gz XMMLWAJFCGQTDG-CQSZACIVSA-N 1 0 243.350 3.824 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CC(C)C ZINC000532926631 323397378 /nfs/dbraw/zinc/39/73/78/323397378.db2.gz YBJFUWOKFYVRGK-AWEZNQCLSA-N 1 0 205.345 3.726 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CC(C)C ZINC000532926633 323397223 /nfs/dbraw/zinc/39/72/23/323397223.db2.gz YBJFUWOKFYVRGK-CQSZACIVSA-N 1 0 205.345 3.726 20 0 BHADRO COc1ccc(CC[N@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000532927664 323397239 /nfs/dbraw/zinc/39/72/39/323397239.db2.gz ILSFPDBIMVHHEW-CYBMUJFWSA-N 1 0 249.398 3.604 20 0 BHADRO COc1ccc(CC[N@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000532927667 323397486 /nfs/dbraw/zinc/39/74/86/323397486.db2.gz ILSFPDBIMVHHEW-ZDUSSCGKSA-N 1 0 249.398 3.604 20 0 BHADRO C[C@@H]([N@H+](C)CCc1ccccc1)C(C)(C)C ZINC000532929136 323398083 /nfs/dbraw/zinc/39/80/83/323398083.db2.gz ZSPAEOWINYQVNQ-CYBMUJFWSA-N 1 0 219.372 3.596 20 0 BHADRO C[C@H]([N@H+](C)CCc1ccccc1)C(C)(C)C ZINC000532929138 323398226 /nfs/dbraw/zinc/39/82/26/323398226.db2.gz ZSPAEOWINYQVNQ-ZDUSSCGKSA-N 1 0 219.372 3.596 20 0 BHADRO Cc1nc(C[N@@H+](C)[C@H](C)C(C)(C)C)sc1C ZINC000532929226 323398468 /nfs/dbraw/zinc/39/84/68/323398468.db2.gz HQMWTJLYFJFEJZ-LLVKDONJSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)sc1C ZINC000532929227 323397873 /nfs/dbraw/zinc/39/78/73/323397873.db2.gz HQMWTJLYFJFEJZ-NSHDSACASA-N 1 0 240.416 3.626 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccncc1Cl)C(C)(C)C ZINC000532929655 323398370 /nfs/dbraw/zinc/39/83/70/323398370.db2.gz YJTIVMAVVRJYTL-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccncc1Cl)C(C)(C)C ZINC000532929656 323398150 /nfs/dbraw/zinc/39/81/50/323398150.db2.gz YJTIVMAVVRJYTL-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000532939123 387301418 /nfs/dbraw/zinc/30/14/18/387301418.db2.gz JINWQIJFSXNTHT-JTQLQIEISA-N 1 0 243.297 3.691 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000532939124 387301677 /nfs/dbraw/zinc/30/16/77/387301677.db2.gz JINWQIJFSXNTHT-SNVBAGLBSA-N 1 0 243.297 3.691 20 0 BHADRO CCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000532939434 387302009 /nfs/dbraw/zinc/30/20/09/387302009.db2.gz NIOGHWVMUYNHFG-CYBMUJFWSA-N 1 0 209.308 3.619 20 0 BHADRO CCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000532939435 387301245 /nfs/dbraw/zinc/30/12/45/387301245.db2.gz NIOGHWVMUYNHFG-ZDUSSCGKSA-N 1 0 209.308 3.619 20 0 BHADRO CCCOc1ccc(C[N@H+](C)CC2CCC2)cc1 ZINC000532941723 387585568 /nfs/dbraw/zinc/58/55/68/387585568.db2.gz AJNTVEVINZXWAJ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)c(F)c1)CC1CCC1 ZINC000532942811 387583078 /nfs/dbraw/zinc/58/30/78/387583078.db2.gz MMOLESOPJBYUAF-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCCCC[N@H+](Cc1ccno1)[C@H](C)CCC ZINC000532948505 387914115 /nfs/dbraw/zinc/91/41/15/387914115.db2.gz GZACCLIOJJRDDM-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO CCCCC[N@H+](Cc1ccno1)[C@@H](C)CCC ZINC000532948506 387914045 /nfs/dbraw/zinc/91/40/45/387914045.db2.gz GZACCLIOJJRDDM-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)C ZINC000532956489 387914083 /nfs/dbraw/zinc/91/40/83/387914083.db2.gz ROSWHFRKEXOKRF-LLVKDONJSA-N 1 0 223.335 3.865 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)C ZINC000532956491 387912872 /nfs/dbraw/zinc/91/28/72/387912872.db2.gz ROSWHFRKEXOKRF-NSHDSACASA-N 1 0 223.335 3.865 20 0 BHADRO c1ccc(CC[N@H+](C2CC2)C2CCCC2)cc1 ZINC000532959270 387913677 /nfs/dbraw/zinc/91/36/77/387913677.db2.gz AYCPMWKHHBRLTK-UHFFFAOYSA-N 1 0 229.367 3.636 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)CC1 ZINC000532960078 387913981 /nfs/dbraw/zinc/91/39/81/387913981.db2.gz SGFJIJRUGWKDSL-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)CC1 ZINC000532960087 387913936 /nfs/dbraw/zinc/91/39/36/387913936.db2.gz SGFJIJRUGWKDSL-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)CC1 ZINC000532960088 387913787 /nfs/dbraw/zinc/91/37/87/387913787.db2.gz SGFJIJRUGWKDSL-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)CC1 ZINC000532960089 387913116 /nfs/dbraw/zinc/91/31/16/387913116.db2.gz SGFJIJRUGWKDSL-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)CC1 ZINC000532960462 387910710 /nfs/dbraw/zinc/91/07/10/387910710.db2.gz QMBFLOUEEIIUOR-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)CC1 ZINC000532960463 387911810 /nfs/dbraw/zinc/91/18/10/387911810.db2.gz QMBFLOUEEIIUOR-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)CC1 ZINC000532960464 387910858 /nfs/dbraw/zinc/91/08/58/387910858.db2.gz QMBFLOUEEIIUOR-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)CC1 ZINC000532960465 387913108 /nfs/dbraw/zinc/91/31/08/387913108.db2.gz QMBFLOUEEIIUOR-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000532967963 387915770 /nfs/dbraw/zinc/91/57/70/387915770.db2.gz MJTRBCHCXMHCOS-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000532967964 387915886 /nfs/dbraw/zinc/91/58/86/387915886.db2.gz MJTRBCHCXMHCOS-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000532967965 387915480 /nfs/dbraw/zinc/91/54/80/387915480.db2.gz MJTRBCHCXMHCOS-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000532967966 387916288 /nfs/dbraw/zinc/91/62/88/387916288.db2.gz MJTRBCHCXMHCOS-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CCC(CC)n1ccc(C[N@H+](C)C2CCCC2)n1 ZINC000533003169 387921121 /nfs/dbraw/zinc/92/11/21/387921121.db2.gz ZKSSSWRGCHUDJQ-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CCC(CC)[C@H](CC[NH2+]Cc1ccccc1)OC ZINC000533007246 323813380 /nfs/dbraw/zinc/81/33/80/323813380.db2.gz IETJJJDSWNCEGP-INIZCTEOSA-N 1 0 249.398 3.618 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+]Cc1ccccc1)OC ZINC000533007247 323813587 /nfs/dbraw/zinc/81/35/87/323813587.db2.gz IETJJJDSWNCEGP-MRXNPFEDSA-N 1 0 249.398 3.618 20 0 BHADRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000533012156 387917353 /nfs/dbraw/zinc/91/73/53/387917353.db2.gz FMKNCHMTWYLSBE-AWEZNQCLSA-N 1 0 234.387 3.598 20 0 BHADRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000533012157 387917398 /nfs/dbraw/zinc/91/73/98/387917398.db2.gz FMKNCHMTWYLSBE-CQSZACIVSA-N 1 0 234.387 3.598 20 0 BHADRO c1cc(C[N@H+]2CCC[C@H]2CCC2CCCC2)on1 ZINC000533025045 387919597 /nfs/dbraw/zinc/91/95/97/387919597.db2.gz ZHGOONOFNPNECI-AWEZNQCLSA-N 1 0 248.370 3.609 20 0 BHADRO c1cc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)on1 ZINC000533025046 387919839 /nfs/dbraw/zinc/91/98/39/387919839.db2.gz ZHGOONOFNPNECI-CQSZACIVSA-N 1 0 248.370 3.609 20 0 BHADRO c1ccc(C2([NH2+][C@H]3C=CCCC3)CCC2)cc1 ZINC000533030170 323812609 /nfs/dbraw/zinc/81/26/09/323812609.db2.gz BVBFPAGTFBCGLP-HNNXBMFYSA-N 1 0 227.351 3.764 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3C=CCCC3)CCC2)cc1 ZINC000533030171 323812340 /nfs/dbraw/zinc/81/23/40/323812340.db2.gz BVBFPAGTFBCGLP-OAHLLOKOSA-N 1 0 227.351 3.764 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)CCC(F)(F)F ZINC000533033599 387918493 /nfs/dbraw/zinc/91/84/93/387918493.db2.gz AGXBHUMRNCTJRJ-UHFFFAOYSA-N 1 0 245.288 3.688 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+](C)CCC(F)(F)F ZINC000533034621 387925380 /nfs/dbraw/zinc/92/53/80/387925380.db2.gz XCRYFMVSDOXLJP-SECBINFHSA-N 1 0 249.251 3.771 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+](C)CCC(F)(F)F ZINC000533034622 387925090 /nfs/dbraw/zinc/92/50/90/387925090.db2.gz XCRYFMVSDOXLJP-VIFPVBQESA-N 1 0 249.251 3.771 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)cc1F)CC1CC1 ZINC000533034678 387923933 /nfs/dbraw/zinc/92/39/33/387923933.db2.gz HAHQIEXCYIIUGG-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000533035223 387925752 /nfs/dbraw/zinc/92/57/52/387925752.db2.gz XDQLNOYSGCYZNC-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO CC(C)[N@H+](CCCOc1ccccc1)CC1CC1 ZINC000533036796 387925269 /nfs/dbraw/zinc/92/52/69/387925269.db2.gz KQDNBHWDTKTQGM-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[N@H+](C/C=C/c1ccccc1)CC1CC1 ZINC000533037160 387924196 /nfs/dbraw/zinc/92/41/96/387924196.db2.gz WEHHKYXXPDTUCH-RMKNXTFCSA-N 1 0 229.367 3.820 20 0 BHADRO CC(C)[N@H+](C/C=C\c1ccccc1)CC1CC1 ZINC000533037162 387924142 /nfs/dbraw/zinc/92/41/42/387924142.db2.gz WEHHKYXXPDTUCH-TWGQIWQCSA-N 1 0 229.367 3.820 20 0 BHADRO Cc1cccc(C[N@@H+](CC2CC2)C(C)C)c1 ZINC000533037178 387924479 /nfs/dbraw/zinc/92/44/79/387924479.db2.gz ZAYSZICKJNGNFX-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C1CCCCC1 ZINC000533037828 387925558 /nfs/dbraw/zinc/92/55/58/387925558.db2.gz HUVLMQKKIDTLOC-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)C1CCCCC1 ZINC000533037829 323815207 /nfs/dbraw/zinc/81/52/07/323815207.db2.gz HUVLMQKKIDTLOC-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)C1CCCCC1 ZINC000533037830 323815245 /nfs/dbraw/zinc/81/52/45/323815245.db2.gz HUVLMQKKIDTLOC-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000533038823 323815665 /nfs/dbraw/zinc/81/56/65/323815665.db2.gz TWLIKTXEWTUYQY-IMRBUKKESA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+]C2C[C@@H](C)C[C@H](C)C2)o1 ZINC000533038825 323815643 /nfs/dbraw/zinc/81/56/43/323815643.db2.gz TWLIKTXEWTUYQY-RYUDHWBXSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)o1 ZINC000533038826 387924628 /nfs/dbraw/zinc/92/46/28/387924628.db2.gz TWLIKTXEWTUYQY-VXGBXAGGSA-N 1 0 235.371 3.545 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000533039906 387924774 /nfs/dbraw/zinc/92/47/74/387924774.db2.gz NJUAJGDKQCTFGH-CVEARBPZSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000533039911 517465806 /nfs/dbraw/zinc/46/58/06/517465806.db2.gz NJUAJGDKQCTFGH-HOTGVXAUSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000533039912 323815468 /nfs/dbraw/zinc/81/54/68/323815468.db2.gz NJUAJGDKQCTFGH-HZPDHXFCSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000533039913 387925399 /nfs/dbraw/zinc/92/53/99/387925399.db2.gz NJUAJGDKQCTFGH-JKSUJKDBSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C(C)C)o1 ZINC000533040022 323815649 /nfs/dbraw/zinc/81/56/49/323815649.db2.gz ZOCVSUGAAPJITQ-CABCVRRESA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2C(C)C)o1 ZINC000533040023 387923860 /nfs/dbraw/zinc/92/38/60/387923860.db2.gz ZOCVSUGAAPJITQ-GJZGRUSLSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C(C)C)o1 ZINC000533040024 323815681 /nfs/dbraw/zinc/81/56/81/323815681.db2.gz ZOCVSUGAAPJITQ-HUUCEWRRSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C(C)C)o1 ZINC000533040025 323815250 /nfs/dbraw/zinc/81/52/50/323815250.db2.gz ZOCVSUGAAPJITQ-LSDHHAIUSA-N 1 0 235.371 3.545 20 0 BHADRO CC(C)[N@H+](C1CCCC1)[C@@H]1C=CCCC1 ZINC000533045747 387927398 /nfs/dbraw/zinc/92/73/98/387927398.db2.gz OHNKXKKJRCINTD-CYBMUJFWSA-N 1 0 207.361 3.748 20 0 BHADRO CC(C)[N@H+](C1CCCC1)[C@H]1C=CCCC1 ZINC000533045748 387927038 /nfs/dbraw/zinc/92/70/38/387927038.db2.gz OHNKXKKJRCINTD-ZDUSSCGKSA-N 1 0 207.361 3.748 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000533046186 387927440 /nfs/dbraw/zinc/92/74/40/387927440.db2.gz FCKTZGKHECTSEZ-JTQLQIEISA-N 1 0 211.736 3.570 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000533046187 387927229 /nfs/dbraw/zinc/92/72/29/387927229.db2.gz FCKTZGKHECTSEZ-SNVBAGLBSA-N 1 0 211.736 3.570 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCCCO1)C1CCCCC1 ZINC000533048559 387926282 /nfs/dbraw/zinc/92/62/82/387926282.db2.gz KTRGZIAWOVVHSG-HNNXBMFYSA-N 1 0 239.403 3.599 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCCCO1)C1CCCCC1 ZINC000533048565 387926644 /nfs/dbraw/zinc/92/66/44/387926644.db2.gz KTRGZIAWOVVHSG-OAHLLOKOSA-N 1 0 239.403 3.599 20 0 BHADRO CCSCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000533054593 323813350 /nfs/dbraw/zinc/81/33/50/323813350.db2.gz KBURDVWPOWMMOD-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CCSCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000533054594 387923479 /nfs/dbraw/zinc/92/34/79/387923479.db2.gz KBURDVWPOWMMOD-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO CCCCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000533058050 387922077 /nfs/dbraw/zinc/92/20/77/387922077.db2.gz AOBLLJGLNSIWOH-AWEZNQCLSA-N 1 0 234.387 3.867 20 0 BHADRO CCCCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000533058053 323813377 /nfs/dbraw/zinc/81/33/77/323813377.db2.gz AOBLLJGLNSIWOH-CQSZACIVSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000533058290 387921695 /nfs/dbraw/zinc/92/16/95/387921695.db2.gz JBHURCJWGKPFTO-UHFFFAOYSA-N 1 0 229.367 3.617 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC(F)(F)F ZINC000533067864 387926865 /nfs/dbraw/zinc/92/68/65/387926865.db2.gz YKTVOOMRQWDAJA-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC(F)(F)F ZINC000533067865 387926692 /nfs/dbraw/zinc/92/66/92/387926692.db2.gz YKTVOOMRQWDAJA-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC(F)(F)F ZINC000533067866 387927431 /nfs/dbraw/zinc/92/74/31/387927431.db2.gz YKTVOOMRQWDAJA-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(F)(F)F ZINC000533067867 387927556 /nfs/dbraw/zinc/92/75/56/387927556.db2.gz YKTVOOMRQWDAJA-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CC1CCCC1)C1CC1 ZINC000533068513 387928234 /nfs/dbraw/zinc/92/82/34/387928234.db2.gz IIKPHOPQOGFMFW-GFCCVEGCSA-N 1 0 233.355 3.995 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CC1CCCC1)C1CC1 ZINC000533068514 387929108 /nfs/dbraw/zinc/92/91/08/387929108.db2.gz IIKPHOPQOGFMFW-LBPRGKRZSA-N 1 0 233.355 3.995 20 0 BHADRO CC(C)[N@H+](CCCOc1ccccc1)C1CCC1 ZINC000533071098 387928484 /nfs/dbraw/zinc/92/84/84/387928484.db2.gz ZNOGWKBQVNTQIU-UHFFFAOYSA-N 1 0 247.382 3.718 20 0 BHADRO COc1ccc(CC[N@H+](C(C)C)C2CCC2)cc1 ZINC000533072379 387928749 /nfs/dbraw/zinc/92/87/49/387928749.db2.gz KVHIWDMWLSSDIL-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C(C)C)C1CCC1 ZINC000533073936 398174502 /nfs/dbraw/zinc/17/45/02/398174502.db2.gz VVOGFESQUBSBFV-UHFFFAOYSA-N 1 0 247.382 3.767 20 0 BHADRO COCc1cccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000533079464 387939697 /nfs/dbraw/zinc/93/96/97/387939697.db2.gz GLKLSRHUEHVRMY-CYBMUJFWSA-N 1 0 249.398 3.699 20 0 BHADRO COCc1cccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000533079465 387939667 /nfs/dbraw/zinc/93/96/67/387939667.db2.gz GLKLSRHUEHVRMY-ZDUSSCGKSA-N 1 0 249.398 3.699 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)CCC2CC2)c1 ZINC000533080166 411246868 /nfs/dbraw/zinc/24/68/68/411246868.db2.gz OHMXUVKMWZTPGY-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@H+](C)CCC1CC1 ZINC000533080598 411246854 /nfs/dbraw/zinc/24/68/54/411246854.db2.gz ZRMBCPFUBQPLFZ-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@H+](C)CCC1CC1 ZINC000533080599 411246684 /nfs/dbraw/zinc/24/66/84/411246684.db2.gz ZRMBCPFUBQPLFZ-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CC2CCCC2)o1 ZINC000533090407 387951280 /nfs/dbraw/zinc/95/12/80/387951280.db2.gz PXQZSWQHLOXIPV-GFCCVEGCSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CC2CCCC2)o1 ZINC000533090408 387950757 /nfs/dbraw/zinc/95/07/57/387950757.db2.gz PXQZSWQHLOXIPV-LBPRGKRZSA-N 1 0 235.371 3.689 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)Cc1cccs1 ZINC000533106255 387960281 /nfs/dbraw/zinc/96/02/81/387960281.db2.gz BNVJHZGYIYOLND-KBPBESRZSA-N 1 0 249.423 3.873 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)Cc1cccs1 ZINC000533106256 323834862 /nfs/dbraw/zinc/83/48/62/323834862.db2.gz BNVJHZGYIYOLND-KGLIPLIRSA-N 1 0 249.423 3.873 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)Cc1cccs1 ZINC000533106257 323834487 /nfs/dbraw/zinc/83/44/87/323834487.db2.gz BNVJHZGYIYOLND-UONOGXRCSA-N 1 0 249.423 3.873 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)Cc1cccs1 ZINC000533106258 387960878 /nfs/dbraw/zinc/96/08/78/387960878.db2.gz BNVJHZGYIYOLND-ZIAGYGMSSA-N 1 0 249.423 3.873 20 0 BHADRO CC(C)C1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000533201324 323864153 /nfs/dbraw/zinc/86/41/53/323864153.db2.gz CLRIEDKOJGVPDO-UHFFFAOYSA-N 1 0 234.387 3.567 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(F)c1)C(C)(C)C ZINC000533249417 388038356 /nfs/dbraw/zinc/03/83/56/388038356.db2.gz RLIACTBGBHWIPK-LLVKDONJSA-N 1 0 223.335 3.692 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(F)c1)C(C)(C)C ZINC000533249418 388038593 /nfs/dbraw/zinc/03/85/93/388038593.db2.gz RLIACTBGBHWIPK-NSHDSACASA-N 1 0 223.335 3.692 20 0 BHADRO C[C@@H]([N@H+](C)Cc1nc2ccccc2o1)C(C)(C)C ZINC000533249758 388039532 /nfs/dbraw/zinc/03/95/32/388039532.db2.gz SKRMSOZFKLGRDX-LLVKDONJSA-N 1 0 246.354 3.694 20 0 BHADRO C[C@H]([N@H+](C)Cc1nc2ccccc2o1)C(C)(C)C ZINC000533249759 388038254 /nfs/dbraw/zinc/03/82/54/388038254.db2.gz SKRMSOZFKLGRDX-NSHDSACASA-N 1 0 246.354 3.694 20 0 BHADRO COCCC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000533249794 388039527 /nfs/dbraw/zinc/03/95/27/388039527.db2.gz XTODAIVQLAWZBE-HNNXBMFYSA-N 1 0 249.398 3.641 20 0 BHADRO COCCC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000533249795 388038155 /nfs/dbraw/zinc/03/81/55/388038155.db2.gz XTODAIVQLAWZBE-OAHLLOKOSA-N 1 0 249.398 3.641 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(F)c1F)C(C)(C)C ZINC000533249841 388039261 /nfs/dbraw/zinc/03/92/61/388039261.db2.gz ARYPPRURYLMEKI-JTQLQIEISA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(F)c1F)C(C)(C)C ZINC000533249842 388038785 /nfs/dbraw/zinc/03/87/85/388038785.db2.gz ARYPPRURYLMEKI-SNVBAGLBSA-N 1 0 241.325 3.831 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(CC)s1 ZINC000533255561 388035228 /nfs/dbraw/zinc/03/52/28/388035228.db2.gz VZRAGLAEDKFSJW-UHFFFAOYSA-N 1 0 211.374 3.542 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+](C)CC(C)C)c1 ZINC000533256307 388037184 /nfs/dbraw/zinc/03/71/84/388037184.db2.gz RTRHUDRVPDGRCY-CYBMUJFWSA-N 1 0 205.345 3.644 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+](C)CC(C)C)c1 ZINC000533256320 388037721 /nfs/dbraw/zinc/03/77/21/388037721.db2.gz RTRHUDRVPDGRCY-ZDUSSCGKSA-N 1 0 205.345 3.644 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)C ZINC000533256486 388037750 /nfs/dbraw/zinc/03/77/50/388037750.db2.gz DSSJFTGQKZKPHO-AWEZNQCLSA-N 1 0 223.335 3.865 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)C ZINC000533256487 388036640 /nfs/dbraw/zinc/03/66/40/388036640.db2.gz DSSJFTGQKZKPHO-CQSZACIVSA-N 1 0 223.335 3.865 20 0 BHADRO c1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)on1 ZINC000533256995 388036687 /nfs/dbraw/zinc/03/66/87/388036687.db2.gz LTDISPKBVAHTOY-AWEZNQCLSA-N 1 0 248.370 3.609 20 0 BHADRO c1cc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)on1 ZINC000533256996 388037759 /nfs/dbraw/zinc/03/77/59/388037759.db2.gz LTDISPKBVAHTOY-CQSZACIVSA-N 1 0 248.370 3.609 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C)CC2CCC2)cc1 ZINC000533263210 388043348 /nfs/dbraw/zinc/04/33/48/388043348.db2.gz RUHQDJPDDNNKTG-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC(CC)[N@H+](Cc1nccn1C(C)C)C1CC1 ZINC000533267473 388045005 /nfs/dbraw/zinc/04/50/05/388045005.db2.gz YCFWTIGKNWGPSP-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CC1CCC1 ZINC000533302575 388047182 /nfs/dbraw/zinc/04/71/82/388047182.db2.gz LOMJFRGHFPXBSD-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CC1CCC1 ZINC000533302579 388047793 /nfs/dbraw/zinc/04/77/93/388047793.db2.gz LOMJFRGHFPXBSD-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000533334718 359800627 /nfs/dbraw/zinc/80/06/27/359800627.db2.gz GJSDEYQYPBANJP-INIZCTEOSA-N 1 0 246.398 3.742 20 0 BHADRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000533334719 359800584 /nfs/dbraw/zinc/80/05/84/359800584.db2.gz GJSDEYQYPBANJP-MRXNPFEDSA-N 1 0 246.398 3.742 20 0 BHADRO CCc1ccc([C@@H]([NH2+]CCCF)C(C)C)cc1 ZINC000533334731 359800600 /nfs/dbraw/zinc/80/06/00/359800600.db2.gz IAWGRIGCAAPOJK-HNNXBMFYSA-N 1 0 237.362 3.895 20 0 BHADRO CCc1ccc([C@H]([NH2+]CCCF)C(C)C)cc1 ZINC000533334732 359800545 /nfs/dbraw/zinc/80/05/45/359800545.db2.gz IAWGRIGCAAPOJK-OAHLLOKOSA-N 1 0 237.362 3.895 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000533352366 388061146 /nfs/dbraw/zinc/06/11/46/388061146.db2.gz AXYPFSFKDQNVKY-AWEZNQCLSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)(C)[C@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000533352367 388060904 /nfs/dbraw/zinc/06/09/04/388060904.db2.gz AXYPFSFKDQNVKY-CQSZACIVSA-N 1 0 244.338 3.552 20 0 BHADRO COc1ccc(C)cc1C[N@H+](CC1CC1)C(C)C ZINC000533352690 388061152 /nfs/dbraw/zinc/06/11/52/388061152.db2.gz HELIUUAGXPCGPJ-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1ccccc1C[N@@H+](CC1CC1)C(C)C ZINC000533356840 388061701 /nfs/dbraw/zinc/06/17/01/388061701.db2.gz IVFOLPIXAQUWOS-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(Cl)cc1)CC1CC1 ZINC000533358429 388062431 /nfs/dbraw/zinc/06/24/31/388062431.db2.gz LXVZVZHTTMQQAO-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO Cc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1 ZINC000533358616 388061760 /nfs/dbraw/zinc/06/17/60/388061760.db2.gz GBIVDVAVSUPIQP-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CC(C)[N@@H+](Cc1cc(F)ccc1F)CC1CC1 ZINC000533359004 388062093 /nfs/dbraw/zinc/06/20/93/388062093.db2.gz SPOBSZBWCJEFRC-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCCC(F)(F)C2)C[C@H](C)C1 ZINC000533360679 398188188 /nfs/dbraw/zinc/18/81/88/398188188.db2.gz JRNSIGXTPUNRIV-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[C@@H](C)C1 ZINC000533360680 398188318 /nfs/dbraw/zinc/18/83/18/398188318.db2.gz JRNSIGXTPUNRIV-QNWHQSFQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCCC(F)(F)C2)C[C@H](C)C1 ZINC000533360681 323887576 /nfs/dbraw/zinc/88/75/76/323887576.db2.gz JRNSIGXTPUNRIV-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[C@@H](C)C1 ZINC000533360682 398187805 /nfs/dbraw/zinc/18/78/05/398187805.db2.gz JRNSIGXTPUNRIV-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCSc1ccccc1F ZINC000533368704 398188678 /nfs/dbraw/zinc/18/86/78/398188678.db2.gz QJSIXFRTSOHSQU-LLVKDONJSA-N 1 0 241.375 3.648 20 0 BHADRO CC[C@H](C)[N@H+](C)CCSc1ccccc1F ZINC000533368705 398188708 /nfs/dbraw/zinc/18/87/08/398188708.db2.gz QJSIXFRTSOHSQU-NSHDSACASA-N 1 0 241.375 3.648 20 0 BHADRO CC(C)[N@H+](CCOc1ccccc1)C1CCCC1 ZINC000533368722 398188562 /nfs/dbraw/zinc/18/85/62/398188562.db2.gz UQZBXXQEQYRMID-UHFFFAOYSA-N 1 0 247.382 3.718 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC000533369181 388065688 /nfs/dbraw/zinc/06/56/88/388065688.db2.gz WBAXBQGYFWBLJB-CYBMUJFWSA-N 1 0 205.345 3.534 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC000533369182 388065458 /nfs/dbraw/zinc/06/54/58/388065458.db2.gz WBAXBQGYFWBLJB-ZDUSSCGKSA-N 1 0 205.345 3.534 20 0 BHADRO c1ccc(CCC[NH+](CC2CC2)CC2CC2)cc1 ZINC000533380422 322817684 /nfs/dbraw/zinc/81/76/84/322817684.db2.gz HVTPLFJPNACJAH-UHFFFAOYSA-N 1 0 243.394 3.741 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC000533390664 322818152 /nfs/dbraw/zinc/81/81/52/322818152.db2.gz PWNGVXNIQCNDSB-AWEZNQCLSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC000533390673 384260402 /nfs/dbraw/zinc/26/04/02/384260402.db2.gz PWNGVXNIQCNDSB-CQSZACIVSA-N 1 0 231.314 3.513 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000533393073 384261251 /nfs/dbraw/zinc/26/12/51/384261251.db2.gz CBIBXBZZDQXYKI-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CSCC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000533393074 384263058 /nfs/dbraw/zinc/26/30/58/384263058.db2.gz CBIBXBZZDQXYKI-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)[N@H+](CCC1CCCC1)C1CCC1 ZINC000533393502 384261885 /nfs/dbraw/zinc/26/18/85/384261885.db2.gz BDJIGXLUFGKWRP-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO Cc1ccc(CC[NH+]2Cc3ccccc3C2)cc1 ZINC000533414898 384279495 /nfs/dbraw/zinc/27/94/95/384279495.db2.gz BBKXZRPEDYZGED-UHFFFAOYSA-N 1 0 237.346 3.553 20 0 BHADRO Cc1ccc(CC[N@@H+](C)CC(C)(C)C)cc1 ZINC000533415698 384284327 /nfs/dbraw/zinc/28/43/27/384284327.db2.gz NREOQSMWFNRCFX-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)CC(C)(C)C ZINC000533416212 384283660 /nfs/dbraw/zinc/28/36/60/384283660.db2.gz OQNLFVXLFUIWCX-LLVKDONJSA-N 1 0 223.335 3.865 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)CC(C)(C)C ZINC000533416221 384282802 /nfs/dbraw/zinc/28/28/02/384282802.db2.gz OQNLFVXLFUIWCX-NSHDSACASA-N 1 0 223.335 3.865 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3s2)C1 ZINC000533433183 384311207 /nfs/dbraw/zinc/31/12/07/384311207.db2.gz MWIQFXDLLLDXOK-GHMZBOCLSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3s2)C1 ZINC000533433186 384310354 /nfs/dbraw/zinc/31/03/54/384310354.db2.gz MWIQFXDLLLDXOK-MNOVXSKESA-N 1 0 246.379 3.527 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3s2)C1 ZINC000533433188 384309205 /nfs/dbraw/zinc/30/92/05/384309205.db2.gz MWIQFXDLLLDXOK-QWRGUYRKSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2ccccc2s1 ZINC000533433189 384309482 /nfs/dbraw/zinc/30/94/82/384309482.db2.gz MWIQFXDLLLDXOK-WDEREUQCSA-N 1 0 246.379 3.527 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@H](C)C1)OC ZINC000533467259 384347669 /nfs/dbraw/zinc/34/76/69/384347669.db2.gz VGJABKHHSMKGRI-CFVMTHIKSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CC[C@H](C)C1)OC ZINC000533467260 384346637 /nfs/dbraw/zinc/34/66/37/384346637.db2.gz VGJABKHHSMKGRI-QEJZJMRPSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CC[C@@H](C)C1)OC ZINC000533467261 384346661 /nfs/dbraw/zinc/34/66/61/384346661.db2.gz VGJABKHHSMKGRI-SNPRPXQTSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@@H](C)C1)OC ZINC000533467262 384346738 /nfs/dbraw/zinc/34/67/38/384346738.db2.gz VGJABKHHSMKGRI-YUELXQCFSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C)OC ZINC000533467513 384347131 /nfs/dbraw/zinc/34/71/31/384347131.db2.gz LLBFLYZNNZFTFC-CFVMTHIKSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@@H]1C)OC ZINC000533467514 384345481 /nfs/dbraw/zinc/34/54/81/384345481.db2.gz LLBFLYZNNZFTFC-QEJZJMRPSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@H]1C)OC ZINC000533467515 384346952 /nfs/dbraw/zinc/34/69/52/384346952.db2.gz LLBFLYZNNZFTFC-SNPRPXQTSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1C)OC ZINC000533467516 384347442 /nfs/dbraw/zinc/34/74/42/384347442.db2.gz LLBFLYZNNZFTFC-YUELXQCFSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C2C(C)(C)C2(C)C)n1 ZINC000533467867 322820596 /nfs/dbraw/zinc/82/05/96/322820596.db2.gz FMSHDTCWROKDHJ-GFCCVEGCSA-N 1 0 246.398 3.550 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)n1 ZINC000533467868 322820602 /nfs/dbraw/zinc/82/06/02/322820602.db2.gz FMSHDTCWROKDHJ-LBPRGKRZSA-N 1 0 246.398 3.550 20 0 BHADRO CCc1ccc([C@@H]([NH2+]CCCOC)C(C)C)cc1 ZINC000533471613 322820930 /nfs/dbraw/zinc/82/09/30/322820930.db2.gz BDRKUKGDAMLFJG-INIZCTEOSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@H]([NH2+]CCCOC)C(C)C)cc1 ZINC000533471614 322820786 /nfs/dbraw/zinc/82/07/86/322820786.db2.gz BDRKUKGDAMLFJG-MRXNPFEDSA-N 1 0 249.398 3.572 20 0 BHADRO CC(C)CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533479937 322821565 /nfs/dbraw/zinc/82/15/65/322821565.db2.gz UDMDZXAIXSGVHY-UHFFFAOYSA-N 1 0 247.382 3.618 20 0 BHADRO CC(C)=CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533480391 322821378 /nfs/dbraw/zinc/82/13/78/322821378.db2.gz VJPIZNJFJMPCBV-UHFFFAOYSA-N 1 0 245.366 3.538 20 0 BHADRO CCN(CC1CCOCC1)c1cccc(C)c1C ZINC000533484855 384365644 /nfs/dbraw/zinc/36/56/44/384365644.db2.gz BGQVRDQYTVOYCG-UHFFFAOYSA-N 1 0 247.382 3.556 20 0 BHADRO CCN(CCCCCOC)c1cccc(C)c1 ZINC000533485165 384366186 /nfs/dbraw/zinc/36/61/86/384366186.db2.gz ARKSBBRHAHVENP-UHFFFAOYSA-N 1 0 235.371 3.638 20 0 BHADRO CCN(C[C@@H]1CCCOC1)c1cccc(C)c1C ZINC000533485340 384366414 /nfs/dbraw/zinc/36/64/14/384366414.db2.gz QKGBGVDSDLIFOI-HNNXBMFYSA-N 1 0 247.382 3.556 20 0 BHADRO CCN(C[C@H]1CCCOC1)c1cccc(C)c1C ZINC000533485341 384365095 /nfs/dbraw/zinc/36/50/95/384365095.db2.gz QKGBGVDSDLIFOI-OAHLLOKOSA-N 1 0 247.382 3.556 20 0 BHADRO CC(C)[N@H+](CCC1CCCC1)CC1CC1 ZINC000533488397 384368969 /nfs/dbraw/zinc/36/89/69/384368969.db2.gz BJIJWMZZLBHRCP-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)c(F)c1)CC1CC1 ZINC000533493849 384380029 /nfs/dbraw/zinc/38/00/29/384380029.db2.gz BMFBDYUGXJCSHK-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)c(C)s1 ZINC000533493963 384380052 /nfs/dbraw/zinc/38/00/52/384380052.db2.gz CLIBJEOLXFEFFV-UHFFFAOYSA-N 1 0 237.412 3.985 20 0 BHADRO Cc1ccc(CC[N@H+](CC2CC2)C(C)C)cc1 ZINC000533494755 384381127 /nfs/dbraw/zinc/38/11/27/384381127.db2.gz HNYXJNPARVFKBB-UHFFFAOYSA-N 1 0 231.383 3.658 20 0 BHADRO CC(C)[N@H+](CCCc1ccccc1)CC1CC1 ZINC000533494841 384385097 /nfs/dbraw/zinc/38/50/97/384385097.db2.gz MDWCGXWKYOVOQI-UHFFFAOYSA-N 1 0 231.383 3.740 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1OC(C)C ZINC000533504467 384396499 /nfs/dbraw/zinc/39/64/99/384396499.db2.gz HEOMOKRVKWGRSZ-CYBMUJFWSA-N 1 0 235.371 3.704 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1OC(C)C ZINC000533504469 384397100 /nfs/dbraw/zinc/39/71/00/384397100.db2.gz HEOMOKRVKWGRSZ-ZDUSSCGKSA-N 1 0 235.371 3.704 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000533504831 384397456 /nfs/dbraw/zinc/39/74/56/384397456.db2.gz AXOIBQRYMDBUTF-JTQLQIEISA-N 1 0 211.736 3.570 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000533504835 384396749 /nfs/dbraw/zinc/39/67/49/384396749.db2.gz AXOIBQRYMDBUTF-SNVBAGLBSA-N 1 0 211.736 3.570 20 0 BHADRO CC[C@H](C)[N@H+](C)CCc1c(F)cccc1Cl ZINC000533505904 384401209 /nfs/dbraw/zinc/40/12/09/384401209.db2.gz PCJXPPVDJMPYQC-JTQLQIEISA-N 1 0 243.753 3.752 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCc1c(F)cccc1Cl ZINC000533505905 384401163 /nfs/dbraw/zinc/40/11/63/384401163.db2.gz PCJXPPVDJMPYQC-SNVBAGLBSA-N 1 0 243.753 3.752 20 0 BHADRO CC(C)[N@H+](CC1CCCC1)C1CCCC1 ZINC000533506002 384397359 /nfs/dbraw/zinc/39/73/59/384397359.db2.gz ZLPHJOGAFMRKLB-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CCCCC[NH2+]C(C)(C)c1ccccc1OC ZINC000533506170 322823442 /nfs/dbraw/zinc/82/34/42/322823442.db2.gz JWNMRWDWIOQCNO-UHFFFAOYSA-N 1 0 235.371 3.710 20 0 BHADRO Cc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000533519844 384450020 /nfs/dbraw/zinc/45/00/20/384450020.db2.gz UTTQACWQPFEUFK-UHFFFAOYSA-N 1 0 229.367 3.617 20 0 BHADRO Fc1ccc(C2([NH2+]CC3CCCC3)CC2)cc1 ZINC000533527096 384479170 /nfs/dbraw/zinc/47/91/70/384479170.db2.gz XJJVLSXPGJNKDO-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC000533529471 384479966 /nfs/dbraw/zinc/47/99/66/384479966.db2.gz JPNOXWVFJUHVFE-JKEYDSJLSA-N 1 0 249.423 3.773 20 0 BHADRO CSCC[C@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC000533529472 384479382 /nfs/dbraw/zinc/47/93/82/384479382.db2.gz JPNOXWVFJUHVFE-YHAOYDPOSA-N 1 0 249.423 3.773 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1 ZINC000533529656 384482664 /nfs/dbraw/zinc/48/26/64/384482664.db2.gz CGEFLNAJKMYGLI-UHFFFAOYSA-N 1 0 217.356 3.758 20 0 BHADRO Cc1cccc(OCC[N@@H+](C(C)C)C2CCC2)c1 ZINC000533532440 409667031 /nfs/dbraw/zinc/66/70/31/409667031.db2.gz GAMXLPIPTLUQPM-UHFFFAOYSA-N 1 0 247.382 3.637 20 0 BHADRO CS[C@H]1CCCC[N@H+](Cc2ccccc2C)C1 ZINC000533538619 384519134 /nfs/dbraw/zinc/51/91/34/384519134.db2.gz XGUYZRWBUFVDKT-HNNXBMFYSA-N 1 0 249.423 3.713 20 0 BHADRO CS[C@@H]1CCCC[N@H+](Cc2ccccc2C)C1 ZINC000533538620 384518116 /nfs/dbraw/zinc/51/81/16/384518116.db2.gz XGUYZRWBUFVDKT-OAHLLOKOSA-N 1 0 249.423 3.713 20 0 BHADRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533538686 384518645 /nfs/dbraw/zinc/51/86/45/384518645.db2.gz JDRYFQKIUVYXKN-DZGCQCFKSA-N 1 0 249.423 3.965 20 0 BHADRO CS[C@H]1CCCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533538687 384520268 /nfs/dbraw/zinc/52/02/68/384520268.db2.gz JDRYFQKIUVYXKN-HIFRSBDPSA-N 1 0 249.423 3.965 20 0 BHADRO CS[C@@H]1CCCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533538688 384518927 /nfs/dbraw/zinc/51/89/27/384518927.db2.gz JDRYFQKIUVYXKN-UKRRQHHQSA-N 1 0 249.423 3.965 20 0 BHADRO CS[C@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533538689 384518211 /nfs/dbraw/zinc/51/82/11/384518211.db2.gz JDRYFQKIUVYXKN-ZFWWWQNUSA-N 1 0 249.423 3.965 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)CCC1CC1 ZINC000533539160 384519916 /nfs/dbraw/zinc/51/99/16/384519916.db2.gz CHZPFTWZIAQOHO-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)CCC1CC1 ZINC000533539656 384524699 /nfs/dbraw/zinc/52/46/99/384524699.db2.gz AETNOKXPPGNXFR-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000533545886 384531482 /nfs/dbraw/zinc/53/14/82/384531482.db2.gz FIFIPAYMCAHLBS-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000533545888 384530776 /nfs/dbraw/zinc/53/07/76/384530776.db2.gz FIFIPAYMCAHLBS-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)[N@H+](CCCCC(F)(F)F)CC1CC1 ZINC000533558397 384567313 /nfs/dbraw/zinc/56/73/13/384567313.db2.gz MBHMAKJIZXFADC-UHFFFAOYSA-N 1 0 237.309 3.839 20 0 BHADRO Cc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)s1 ZINC000533558544 384566463 /nfs/dbraw/zinc/56/64/63/384566463.db2.gz DQSKOXXTBULSRQ-JTQLQIEISA-N 1 0 240.416 3.626 20 0 BHADRO Cc1nc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)s1 ZINC000533558545 384565689 /nfs/dbraw/zinc/56/56/89/384565689.db2.gz DQSKOXXTBULSRQ-SNVBAGLBSA-N 1 0 240.416 3.626 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000533564703 322833262 /nfs/dbraw/zinc/83/32/62/322833262.db2.gz AHMODCBFYNZSKD-KBPBESRZSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000533564704 322833269 /nfs/dbraw/zinc/83/32/69/322833269.db2.gz AHMODCBFYNZSKD-KGLIPLIRSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000533564705 322833341 /nfs/dbraw/zinc/83/33/41/322833341.db2.gz AHMODCBFYNZSKD-UONOGXRCSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000533564706 384584488 /nfs/dbraw/zinc/58/44/88/384584488.db2.gz AHMODCBFYNZSKD-ZIAGYGMSSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000533565034 384584684 /nfs/dbraw/zinc/58/46/84/384584684.db2.gz KKHALQWJVJSLIO-KBPBESRZSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000533565035 384584858 /nfs/dbraw/zinc/58/48/58/384584858.db2.gz KKHALQWJVJSLIO-UONOGXRCSA-N 1 0 246.398 3.949 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]CCc2ccco2)C1 ZINC000533565085 384587327 /nfs/dbraw/zinc/58/73/27/384587327.db2.gz UORUTMGKLCATOQ-CYBMUJFWSA-N 1 0 235.371 3.628 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]CCc2ccco2)C1 ZINC000533565086 384584565 /nfs/dbraw/zinc/58/45/65/384584565.db2.gz UORUTMGKLCATOQ-ZDUSSCGKSA-N 1 0 235.371 3.628 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000533565369 322833522 /nfs/dbraw/zinc/83/35/22/322833522.db2.gz UXAWCAKHJLUHJQ-DZGCQCFKSA-N 1 0 247.382 3.855 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC=CCC2)o1 ZINC000533565370 322833583 /nfs/dbraw/zinc/83/35/83/322833583.db2.gz UXAWCAKHJLUHJQ-HIFRSBDPSA-N 1 0 247.382 3.855 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000533565371 384588322 /nfs/dbraw/zinc/58/83/22/384588322.db2.gz UXAWCAKHJLUHJQ-UKRRQHHQSA-N 1 0 247.382 3.855 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC=CCC2)o1 ZINC000533565372 384588941 /nfs/dbraw/zinc/58/89/41/384588941.db2.gz UXAWCAKHJLUHJQ-ZFWWWQNUSA-N 1 0 247.382 3.855 20 0 BHADRO COCCC[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000533640032 385198522 /nfs/dbraw/zinc/19/85/22/385198522.db2.gz HVEQPWCZYVEFSO-CYBMUJFWSA-N 1 0 249.398 3.671 20 0 BHADRO COCCC[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000533640033 322899740 /nfs/dbraw/zinc/89/97/40/322899740.db2.gz HVEQPWCZYVEFSO-ZDUSSCGKSA-N 1 0 249.398 3.671 20 0 BHADRO FC(F)(F)C1=CC[N@H+](CCC2CCCC2)CC1 ZINC000533832239 384675749 /nfs/dbraw/zinc/67/57/49/384675749.db2.gz KLVLPLORGGOKDP-UHFFFAOYSA-N 1 0 247.304 3.761 20 0 BHADRO 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242.366 3.575 20 0 BHADRO c1ccc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)nc1 ZINC000534331871 323117180 /nfs/dbraw/zinc/11/71/80/323117180.db2.gz DCMWAMMTZXIXHR-GOEBONIOSA-N 1 0 242.366 3.575 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)nc1 ZINC000534331872 323117091 /nfs/dbraw/zinc/11/70/91/323117091.db2.gz DCMWAMMTZXIXHR-HOCLYGCPSA-N 1 0 242.366 3.575 20 0 BHADRO c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)nc1 ZINC000534331873 323117176 /nfs/dbraw/zinc/11/71/76/323117176.db2.gz DCMWAMMTZXIXHR-ZBFHGGJFSA-N 1 0 242.366 3.575 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccco2)s1 ZINC000534332857 323116205 /nfs/dbraw/zinc/11/62/05/323116205.db2.gz LPRNTZLFKRLEFS-UHFFFAOYSA-N 1 0 235.352 3.536 20 0 BHADRO Fc1ccc(C[NH+]2C3CCC2CC3)cc1Cl ZINC000534334568 323117651 /nfs/dbraw/zinc/11/76/51/323117651.db2.gz XQIHSNHZBFMOFM-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CCOc1ccc(C[N@H+](CC(C)C)C2CC2)cc1 ZINC000534334975 323117917 /nfs/dbraw/zinc/11/79/17/323117917.db2.gz UWLFNPHUIFTQAU-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 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/nfs/dbraw/zinc/16/61/04/323166104.db2.gz CRSDYTNTDIDZRC-UHFFFAOYSA-N 1 0 240.416 3.574 20 0 BHADRO CC[N@H+](Cc1ccc(COC)cc1)[C@@H](C)C(C)C ZINC000535085315 323166054 /nfs/dbraw/zinc/16/60/54/323166054.db2.gz JEDWVSJUQKUDQY-AWEZNQCLSA-N 1 0 249.398 3.699 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000535085320 323166112 /nfs/dbraw/zinc/16/61/12/323166112.db2.gz OQOWMYNOBUWUJM-GFCCVEGCSA-N 1 0 235.371 3.562 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000535085322 323165997 /nfs/dbraw/zinc/16/59/97/323165997.db2.gz OQOWMYNOBUWUJM-LBPRGKRZSA-N 1 0 235.371 3.562 20 0 BHADRO CC[N@H+](Cc1ccc(COC)cc1)[C@H](C)C(C)C ZINC000535085325 323166150 /nfs/dbraw/zinc/16/61/50/323166150.db2.gz JEDWVSJUQKUDQY-CQSZACIVSA-N 1 0 249.398 3.699 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+]1CC=C(C)CC1 ZINC000535205755 323168442 /nfs/dbraw/zinc/16/84/42/323168442.db2.gz KLFJCSYCRREMDY-HNNXBMFYSA-N 1 0 215.340 3.790 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+]1CC=C(C)CC1 ZINC000535205847 323168460 /nfs/dbraw/zinc/16/84/60/323168460.db2.gz KLFJCSYCRREMDY-OAHLLOKOSA-N 1 0 215.340 3.790 20 0 BHADRO CC1=CC[N@H+]([C@H](C)c2ccccc2F)CC1 ZINC000535207244 323168497 /nfs/dbraw/zinc/16/84/97/323168497.db2.gz RDAAYHIYSJJQOO-GFCCVEGCSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CC[N@H+]([C@@H](C)c2ccccc2F)CC1 ZINC000535207253 323168409 /nfs/dbraw/zinc/16/84/09/323168409.db2.gz RDAAYHIYSJJQOO-LBPRGKRZSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC000535207448 323168412 /nfs/dbraw/zinc/16/84/12/323168412.db2.gz SCMWEEZLDQFFKS-GFCCVEGCSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000535207453 323168489 /nfs/dbraw/zinc/16/84/89/323168489.db2.gz SCMWEEZLDQFFKS-LBPRGKRZSA-N 1 0 219.303 3.539 20 0 BHADRO CC1=CC[N@H+](Cc2ccccc2OC(C)C)CC1 ZINC000535208785 323167961 /nfs/dbraw/zinc/16/79/61/323167961.db2.gz XCHQRZIAUVUCJG-UHFFFAOYSA-N 1 0 245.366 3.626 20 0 BHADRO CC1=CC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000535208852 323167911 /nfs/dbraw/zinc/16/79/11/323167911.db2.gz YIRFDQUPMCSZGQ-UHFFFAOYSA-N 1 0 227.307 3.585 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC=C(C)CC1 ZINC000535216728 323168135 /nfs/dbraw/zinc/16/81/35/323168135.db2.gz PLNRZMAWDNTIRM-HNNXBMFYSA-N 1 0 233.330 3.929 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+]1CC=C(C)CC1 ZINC000535216739 323168106 /nfs/dbraw/zinc/16/81/06/323168106.db2.gz PLNRZMAWDNTIRM-OAHLLOKOSA-N 1 0 233.330 3.929 20 0 BHADRO C[NH+](C)CCS[C@H]1CCCCc2ccccc21 ZINC000535254152 323169177 /nfs/dbraw/zinc/16/91/77/323169177.db2.gz BIKFYQHLNVSAFY-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO C[NH+](C)CCS[C@@H]1CCCCc2ccccc21 ZINC000535254168 323169186 /nfs/dbraw/zinc/16/91/86/323169186.db2.gz BIKFYQHLNVSAFY-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO CCCC[C@@H](CCC)SCC[NH+](C)C ZINC000535254646 323169059 /nfs/dbraw/zinc/16/90/59/323169059.db2.gz FRKHYMHBYARHBE-GFCCVEGCSA-N 1 0 217.422 3.640 20 0 BHADRO CCCC[C@H](CCC)SCC[NH+](C)C ZINC000535254653 323169076 /nfs/dbraw/zinc/16/90/76/323169076.db2.gz FRKHYMHBYARHBE-LBPRGKRZSA-N 1 0 217.422 3.640 20 0 BHADRO COCC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000535276011 323169734 /nfs/dbraw/zinc/16/97/34/323169734.db2.gz KXRDIINNNBEOCP-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO COCC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000535276012 323169701 /nfs/dbraw/zinc/16/97/01/323169701.db2.gz KXRDIINNNBEOCP-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO FC(F)(F)C1=CC[N@H+](CC2CCCCC2)CC1 ZINC000535283124 323170099 /nfs/dbraw/zinc/17/00/99/323170099.db2.gz GULXJDNINWPPIT-UHFFFAOYSA-N 1 0 247.304 3.761 20 0 BHADRO C(C[N@@H+]1CCCC12CCCCC2)C1CC1 ZINC000535381116 323171921 /nfs/dbraw/zinc/17/19/21/323171921.db2.gz VNCPQSKAEAYBLC-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO CCC[C@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCO1 ZINC000535442408 323173017 /nfs/dbraw/zinc/17/30/17/323173017.db2.gz PHWWBHKYEXNQBJ-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCO1 ZINC000535442411 323173084 /nfs/dbraw/zinc/17/30/84/323173084.db2.gz PHWWBHKYEXNQBJ-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)CCO1 ZINC000535442412 323173092 /nfs/dbraw/zinc/17/30/92/323173092.db2.gz PHWWBHKYEXNQBJ-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CCO1 ZINC000535442415 323173147 /nfs/dbraw/zinc/17/31/47/323173147.db2.gz PHWWBHKYEXNQBJ-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO CSCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000535553494 353424174 /nfs/dbraw/zinc/42/41/74/353424174.db2.gz KQCKPSVPDIELGT-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CSCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000535553509 353423973 /nfs/dbraw/zinc/42/39/73/353423973.db2.gz KQCKPSVPDIELGT-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO CSCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000535561311 323184790 /nfs/dbraw/zinc/18/47/90/323184790.db2.gz MYMFLXNPPLVYNV-HNNXBMFYSA-N 1 0 249.423 3.967 20 0 BHADRO CSCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000535561312 323184796 /nfs/dbraw/zinc/18/47/96/323184796.db2.gz MYMFLXNPPLVYNV-OAHLLOKOSA-N 1 0 249.423 3.967 20 0 BHADRO CCC(CC)[N@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000535569760 323186088 /nfs/dbraw/zinc/18/60/88/323186088.db2.gz PBHLSAKRDMYCCI-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO CSCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000535571519 355368338 /nfs/dbraw/zinc/36/83/38/355368338.db2.gz MTYNMSSHUKKESA-CYBMUJFWSA-N 1 0 237.412 3.659 20 0 BHADRO CSCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000535571520 355368268 /nfs/dbraw/zinc/36/82/68/355368268.db2.gz MTYNMSSHUKKESA-ZDUSSCGKSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCc2ccsc2C1 ZINC000535573463 323186129 /nfs/dbraw/zinc/18/61/29/323186129.db2.gz BYKDTNZTGGEIIX-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO CCCC[C@@H](CC)CSCCn1ccnc1 ZINC000535578364 323186330 /nfs/dbraw/zinc/18/63/30/323186330.db2.gz CSRCTBIDUMBNEJ-CYBMUJFWSA-N 1 0 240.416 3.833 20 0 BHADRO CCCC[C@H](CC)CSCCn1ccnc1 ZINC000535578396 323186281 /nfs/dbraw/zinc/18/62/81/323186281.db2.gz CSRCTBIDUMBNEJ-ZDUSSCGKSA-N 1 0 240.416 3.833 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CCc1ccccn1 ZINC000535600284 487605486 /nfs/dbraw/zinc/60/54/86/487605486.db2.gz ZSPUUOJHVAYIAG-HNNXBMFYSA-N 1 0 248.414 3.820 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CCc1ccccn1 ZINC000535600289 487604512 /nfs/dbraw/zinc/60/45/12/487604512.db2.gz ZSPUUOJHVAYIAG-OAHLLOKOSA-N 1 0 248.414 3.820 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000535628614 323187432 /nfs/dbraw/zinc/18/74/32/323187432.db2.gz BMKNGCKJEDQMJP-UHFFFAOYSA-N 1 0 235.758 3.664 20 0 BHADRO C[N@H+](CCCCc1ccccc1)C1CCCC1 ZINC000535666136 355552778 /nfs/dbraw/zinc/55/27/78/355552778.db2.gz OCBXABRKPJFYJA-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO CC(C)([NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000535734857 323189733 /nfs/dbraw/zinc/18/97/33/323189733.db2.gz USJTXCZOFSGIMO-ARJAWSKDSA-N 1 0 233.330 3.617 20 0 BHADRO CC(C)([NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000535734876 323189653 /nfs/dbraw/zinc/18/96/53/323189653.db2.gz USJTXCZOFSGIMO-ONEGZZNKSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@@H](C[NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000535763218 323190741 /nfs/dbraw/zinc/19/07/41/323190741.db2.gz DDJFNULAKLSPEK-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](C[NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000535763219 323190613 /nfs/dbraw/zinc/19/06/13/323190613.db2.gz DDJFNULAKLSPEK-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000535764280 323190633 /nfs/dbraw/zinc/19/06/33/323190633.db2.gz RBMFDWMABSQEQV-DZGCQCFKSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)([NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000535764281 323190663 /nfs/dbraw/zinc/19/06/63/323190663.db2.gz RBMFDWMABSQEQV-HIFRSBDPSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000535764282 323190630 /nfs/dbraw/zinc/19/06/30/323190630.db2.gz RBMFDWMABSQEQV-UKRRQHHQSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000535764283 323190635 /nfs/dbraw/zinc/19/06/35/323190635.db2.gz RBMFDWMABSQEQV-ZFWWWQNUSA-N 1 0 229.367 3.568 20 0 BHADRO CCc1ccc(C[NH+]2CCC(C)CC2)s1 ZINC000535775802 323191112 /nfs/dbraw/zinc/19/11/12/323191112.db2.gz ATKOGTNRKSSOGT-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO COc1cccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1 ZINC000535778389 323190988 /nfs/dbraw/zinc/19/09/88/323190988.db2.gz SXXVNRQUQHADQH-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO CCC[NH+](CCC)Cc1ccnc2ccccc12 ZINC000535778795 323190961 /nfs/dbraw/zinc/19/09/61/323190961.db2.gz YEFDXDPJYNQHHV-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO Fc1c(Cl)cccc1CN1C2CCC1CC2 ZINC000535779831 323191026 /nfs/dbraw/zinc/19/10/26/323191026.db2.gz DRNLEMJKXOFNFD-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CC[C@H](C[NH+]1C2CCC1CC2)c1ccccc1 ZINC000535779875 323190984 /nfs/dbraw/zinc/19/09/84/323190984.db2.gz JRKILRGSUCNGGD-IUDNXUCKSA-N 1 0 229.367 3.807 20 0 BHADRO CC[C@@H](C[NH+]1C2CCC1CC2)c1ccccc1 ZINC000535779878 323190993 /nfs/dbraw/zinc/19/09/93/323190993.db2.gz JRKILRGSUCNGGD-JEYLPNPQSA-N 1 0 229.367 3.807 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000535779930 323191203 /nfs/dbraw/zinc/19/12/03/323191203.db2.gz YCEUSDGECHSXPN-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO CCCOc1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000535780130 323191273 /nfs/dbraw/zinc/19/12/73/323191273.db2.gz BEDIXQWFZDSLQM-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO CC(C)CCn1cccc1C[NH+]1C2CCC1CC2 ZINC000535782541 323191186 /nfs/dbraw/zinc/19/11/86/323191186.db2.gz NMHHNYCITYCEJK-UHFFFAOYSA-N 1 0 246.398 3.661 20 0 BHADRO CCc1ccc(C[N@H+](C2CC2)C2CCCC2)o1 ZINC000535783134 323191164 /nfs/dbraw/zinc/19/11/64/323191164.db2.gz PPCHMTVTTYCMHE-UHFFFAOYSA-N 1 0 233.355 3.749 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000535783207 323191284 /nfs/dbraw/zinc/19/12/84/323191284.db2.gz IJRLNMWVBGLJTR-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000535783208 323191290 /nfs/dbraw/zinc/19/12/90/323191290.db2.gz IJRLNMWVBGLJTR-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(SC)cc1 ZINC000535783439 323191275 /nfs/dbraw/zinc/19/12/75/323191275.db2.gz NMIYFDPVHQWTFB-UHFFFAOYSA-N 1 0 223.385 3.640 20 0 BHADRO CCOc1ccccc1C[N@H+](CC)CC(C)C ZINC000535785445 323191430 /nfs/dbraw/zinc/19/14/30/323191430.db2.gz AMAKAFWWYZNQDM-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC[N@H+](Cc1ccc(C)o1)Cc1ccc(C)cc1 ZINC000535785534 323191466 /nfs/dbraw/zinc/19/14/66/323191466.db2.gz FYXSUVHNHHZJAW-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO CC(C)[N@@H+](Cc1cccc2cc[nH]c21)CC1CC1 ZINC000535785631 323191423 /nfs/dbraw/zinc/19/14/23/323191423.db2.gz GCUITPPNHWIKSX-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccnc2ccccc12 ZINC000535786015 323191349 /nfs/dbraw/zinc/19/13/49/323191349.db2.gz YSNQFNQGJBLLIL-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccnc2ccccc12 ZINC000535786016 323191329 /nfs/dbraw/zinc/19/13/29/323191329.db2.gz YSNQFNQGJBLLIL-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC(C)[N@@H+](Cc1c(F)cccc1F)CC1CC1 ZINC000535786811 323191589 /nfs/dbraw/zinc/19/15/89/323191589.db2.gz WKGPGYWBJVQMEY-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(Cl)o1)CC1CC1 ZINC000535786824 323191532 /nfs/dbraw/zinc/19/15/32/323191532.db2.gz UBRAKIHUQIMAFK-UHFFFAOYSA-N 1 0 227.735 3.553 20 0 BHADRO CCC[N@@H+](Cc1ccc(COC)cc1)CC(C)C ZINC000535788363 323191522 /nfs/dbraw/zinc/19/15/22/323191522.db2.gz ATSVUSHBMDYDQI-UHFFFAOYSA-N 1 0 249.398 3.701 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000535796958 323191715 /nfs/dbraw/zinc/19/17/15/323191715.db2.gz GTCSSIQIHKCLDN-AWEZNQCLSA-N 1 0 235.396 3.903 20 0 BHADRO c1csc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000535796959 323191625 /nfs/dbraw/zinc/19/16/25/323191625.db2.gz GTCSSIQIHKCLDN-CQSZACIVSA-N 1 0 235.396 3.903 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccoc2C)s1 ZINC000535797051 323191762 /nfs/dbraw/zinc/19/17/62/323191762.db2.gz LHEXPPGQKWFHDV-UHFFFAOYSA-N 1 0 249.379 3.844 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccoc2)s1 ZINC000535797185 323191881 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/nfs/dbraw/zinc/60/55/63/487605563.db2.gz DSRJKHBIWXCBTF-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CCc1cccnc1 ZINC000536137424 487605837 /nfs/dbraw/zinc/60/58/37/487605837.db2.gz RWRNFYNMQPKZFB-HNNXBMFYSA-N 1 0 248.414 3.820 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CCc1cccnc1 ZINC000536137426 487605668 /nfs/dbraw/zinc/60/56/68/487605668.db2.gz RWRNFYNMQPKZFB-OAHLLOKOSA-N 1 0 248.414 3.820 20 0 BHADRO CC(C)(C)C1=CC[N@H+](CCC(F)(F)F)CC1 ZINC000536168958 323196416 /nfs/dbraw/zinc/19/64/16/323196416.db2.gz ICCZSAHIIWFWAN-UHFFFAOYSA-N 1 0 235.293 3.617 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000536169861 323196379 /nfs/dbraw/zinc/19/63/79/323196379.db2.gz HVVSNYXJJJXXGB-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000536169862 323196462 /nfs/dbraw/zinc/19/64/62/323196462.db2.gz HVVSNYXJJJXXGB-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO COCCCCC[N@@H+]1CCCC12CCCCC2 ZINC000536176436 323196319 /nfs/dbraw/zinc/19/63/19/323196319.db2.gz HTPRPTJTWFKCPW-UHFFFAOYSA-N 1 0 239.403 3.602 20 0 BHADRO CCC[C@@H]1C[N@@H+]([C@@H](CC)c2ccccc2)CCO1 ZINC000536177425 323196254 /nfs/dbraw/zinc/19/62/54/323196254.db2.gz YHILDDCRLVIQOL-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@H]1C[N@@H+]([C@@H](CC)c2ccccc2)CCO1 ZINC000536177426 323196392 /nfs/dbraw/zinc/19/63/92/323196392.db2.gz YHILDDCRLVIQOL-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@@H]1C[N@@H+]([C@H](CC)c2ccccc2)CCO1 ZINC000536177427 323196455 /nfs/dbraw/zinc/19/64/55/323196455.db2.gz YHILDDCRLVIQOL-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@H]1C[N@@H+]([C@H](CC)c2ccccc2)CCO1 ZINC000536177429 323196399 /nfs/dbraw/zinc/19/63/99/323196399.db2.gz YHILDDCRLVIQOL-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO CCSCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536179659 323196421 /nfs/dbraw/zinc/19/64/21/323196421.db2.gz DBYDRMRGDRVCEV-UHFFFAOYSA-N 1 0 249.423 3.533 20 0 BHADRO CC(C)(C)OCC[N@@H+]1CCCC12CCCCC2 ZINC000536181415 323196447 /nfs/dbraw/zinc/19/64/47/323196447.db2.gz PPDVNIHKUKAAGA-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO C1=C[C@H]([N@H+]2CCCC23CCCCC3)CCC1 ZINC000536181859 323196453 /nfs/dbraw/zinc/19/64/53/323196453.db2.gz ZQNUPXMJZIAEHT-AWEZNQCLSA-N 1 0 219.372 3.894 20 0 BHADRO C1=C[C@@H]([N@H+]2CCCC23CCCCC3)CCC1 ZINC000536181860 323196413 /nfs/dbraw/zinc/19/64/13/323196413.db2.gz ZQNUPXMJZIAEHT-CQSZACIVSA-N 1 0 219.372 3.894 20 0 BHADRO CSCCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536241615 384202142 /nfs/dbraw/zinc/20/21/42/384202142.db2.gz WMRVVSHPICUPLG-UHFFFAOYSA-N 1 0 249.423 3.533 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000536348807 343501573 /nfs/dbraw/zinc/50/15/73/343501573.db2.gz MFKZRRJUXMNNQJ-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000536348810 343501860 /nfs/dbraw/zinc/50/18/60/343501860.db2.gz MFKZRRJUXMNNQJ-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000536354591 384344564 /nfs/dbraw/zinc/34/45/64/384344564.db2.gz NLLHFSRBWFPACA-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000536354592 384344630 /nfs/dbraw/zinc/34/46/30/384344630.db2.gz NLLHFSRBWFPACA-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@H+](CCC(C)C)C1CCCC1 ZINC000536354839 384345320 /nfs/dbraw/zinc/34/53/20/384345320.db2.gz PUYONHDYAZRVKS-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000536362957 384743584 /nfs/dbraw/zinc/74/35/84/384743584.db2.gz MQOYYCGSCUVIPD-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CSCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000536362965 384743642 /nfs/dbraw/zinc/74/36/42/384743642.db2.gz MQOYYCGSCUVIPD-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO CSCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000536363452 384741349 /nfs/dbraw/zinc/74/13/49/384741349.db2.gz OLHKLILVSFPDQA-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000536363453 384742224 /nfs/dbraw/zinc/74/22/24/384742224.db2.gz OLHKLILVSFPDQA-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO CSCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000536365328 384745483 /nfs/dbraw/zinc/74/54/83/384745483.db2.gz JMRXUVHCBIUWTB-AWEZNQCLSA-N 1 0 237.412 3.679 20 0 BHADRO CSCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000536365395 384744745 /nfs/dbraw/zinc/74/47/45/384744745.db2.gz JMRXUVHCBIUWTB-CQSZACIVSA-N 1 0 237.412 3.679 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCCSCC2)c(C)c1 ZINC000536375329 384752495 /nfs/dbraw/zinc/75/24/95/384752495.db2.gz UORMZTDSTSWEBZ-UHFFFAOYSA-N 1 0 249.423 3.551 20 0 BHADRO CCC[N@H+](C)CCCSCc1ccccc1 ZINC000536380203 384756316 /nfs/dbraw/zinc/75/63/16/384756316.db2.gz VPKBVRXSXOLGIA-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO C[C@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000536381119 384760351 /nfs/dbraw/zinc/76/03/51/384760351.db2.gz CZYQWIBFGYMILW-AWEZNQCLSA-N 1 0 249.423 3.652 20 0 BHADRO C[C@@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000536381120 384760815 /nfs/dbraw/zinc/76/08/15/384760815.db2.gz CZYQWIBFGYMILW-CQSZACIVSA-N 1 0 249.423 3.652 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000536417983 487605658 /nfs/dbraw/zinc/60/56/58/487605658.db2.gz ITDHLCRTTCOJHH-CHWSQXEVSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000536417984 487604224 /nfs/dbraw/zinc/60/42/24/487604224.db2.gz ITDHLCRTTCOJHH-OLZOCXBDSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000536417985 487604657 /nfs/dbraw/zinc/60/46/57/487604657.db2.gz ITDHLCRTTCOJHH-QWHCGFSZSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000536417986 487604213 /nfs/dbraw/zinc/60/42/13/487604213.db2.gz ITDHLCRTTCOJHH-STQMWFEESA-N 1 0 237.391 3.667 20 0 BHADRO C1CCC([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000536471138 384861138 /nfs/dbraw/zinc/86/11/38/384861138.db2.gz JGYRUVZLXFZCRW-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C1CCCC1 ZINC000536471488 384859798 /nfs/dbraw/zinc/85/97/98/384859798.db2.gz RNJILAIYGYXIDB-GXTWGEPZSA-N 1 0 247.357 3.946 20 0 BHADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C1CCCC1 ZINC000536471518 384858588 /nfs/dbraw/zinc/85/85/88/384858588.db2.gz RNJILAIYGYXIDB-JSGCOSHPSA-N 1 0 247.357 3.946 20 0 BHADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C1CCCC1 ZINC000536471522 384860012 /nfs/dbraw/zinc/86/00/12/384860012.db2.gz RNJILAIYGYXIDB-OCCSQVGLSA-N 1 0 247.357 3.946 20 0 BHADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C1CCCC1 ZINC000536471524 384858984 /nfs/dbraw/zinc/85/89/84/384858984.db2.gz RNJILAIYGYXIDB-TZMCWYRMSA-N 1 0 247.357 3.946 20 0 BHADRO Fc1cccc(CC[N@H+](C2CC2)C2CCCC2)c1 ZINC000536472769 712348428 /nfs/dbraw/zinc/34/84/28/712348428.db2.gz UBUMPPMNEVJZSI-UHFFFAOYSA-N 1 0 247.357 3.775 20 0 BHADRO C1=CC[C@]2(CC1)CCC[N@@H+](C1CCCC1)C2 ZINC000536473229 384858612 /nfs/dbraw/zinc/85/86/12/384858612.db2.gz ZPRXSWSGPZYLEV-HNNXBMFYSA-N 1 0 219.372 3.751 20 0 BHADRO C1=CC[C@@]2(CC1)CCC[N@@H+](C1CCCC1)C2 ZINC000536473235 384859483 /nfs/dbraw/zinc/85/94/83/384859483.db2.gz ZPRXSWSGPZYLEV-OAHLLOKOSA-N 1 0 219.372 3.751 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(Cl)c(F)c1 ZINC000536487214 384867806 /nfs/dbraw/zinc/86/78/06/384867806.db2.gz ZNHBUVXVAVXEAZ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536493012 384876689 /nfs/dbraw/zinc/87/66/89/384876689.db2.gz VDNZOQDXAMZBDB-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO CC(C)([NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000536552944 323197103 /nfs/dbraw/zinc/19/71/03/323197103.db2.gz ZMKHGSFWPUHHDB-UHFFFAOYSA-N 1 0 247.313 3.850 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000536622373 323198693 /nfs/dbraw/zinc/19/86/93/323198693.db2.gz GABJDMSYGKWZPU-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000536622862 323198756 /nfs/dbraw/zinc/19/87/56/323198756.db2.gz IDRSRNBBNIHVFP-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@H]2C)s1 ZINC000536622972 323198736 /nfs/dbraw/zinc/19/87/36/323198736.db2.gz QNPMEWQFKWBQBL-LLVKDONJSA-N 1 0 223.385 3.685 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000536622973 323198684 /nfs/dbraw/zinc/19/86/84/323198684.db2.gz QNPMEWQFKWBQBL-NSHDSACASA-N 1 0 223.385 3.685 20 0 BHADRO CCOc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000536623043 323198676 /nfs/dbraw/zinc/19/86/76/323198676.db2.gz CDVSAZHARNWLPT-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO C[N@H+](Cc1cc(F)ccc1F)C1CCCCC1 ZINC000536626374 323198636 /nfs/dbraw/zinc/19/86/36/323198636.db2.gz XUJCWDLBFMHFEJ-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CSc1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000536627944 323198801 /nfs/dbraw/zinc/19/88/01/323198801.db2.gz SDMCPXUGUYKJMK-UHFFFAOYSA-N 1 0 233.380 3.535 20 0 BHADRO CCCOc1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000536628145 323198914 /nfs/dbraw/zinc/19/89/14/323198914.db2.gz FEPHYBNWFFDGRJ-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO c1nc(C2CCC2)sc1C[NH+]1C2CCC1CC2 ZINC000536628176 323198838 /nfs/dbraw/zinc/19/88/38/323198838.db2.gz SPGURTQJGDUMDJ-UHFFFAOYSA-N 1 0 248.395 3.537 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1C2CCC1CC2 ZINC000536628222 323198824 /nfs/dbraw/zinc/19/88/24/323198824.db2.gz WTROWAWBVFGGTK-ACCUITESSA-N 1 0 227.351 3.717 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1C2CCC1CC2 ZINC000536628226 323198888 /nfs/dbraw/zinc/19/88/88/323198888.db2.gz WTROWAWBVFGGTK-QBFSEMIESA-N 1 0 227.351 3.717 20 0 BHADRO Clc1ccc(C[NH+]2C3CCC2CC3)s1 ZINC000536628652 323198807 /nfs/dbraw/zinc/19/88/07/323198807.db2.gz MUTVLSMXEOKDCU-UHFFFAOYSA-N 1 0 227.760 3.528 20 0 BHADRO CCc1ccc(C[N@H+](C)Cc2ccc(C)o2)s1 ZINC000536629199 323198829 /nfs/dbraw/zinc/19/88/29/323198829.db2.gz ILHHUIXAWVAILU-UHFFFAOYSA-N 1 0 249.379 3.844 20 0 BHADRO Cc1oc2ccccc2c1C[NH+]1C2CCC1CC2 ZINC000536629237 323198858 /nfs/dbraw/zinc/19/88/58/323198858.db2.gz ZLKUDTKTWICXTJ-UHFFFAOYSA-N 1 0 241.334 3.868 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)CC(C)(C)C ZINC000536631604 323199026 /nfs/dbraw/zinc/19/90/26/323199026.db2.gz CADDHKGYTRUCQU-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO CCCOc1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000536631844 323199076 /nfs/dbraw/zinc/19/90/76/323199076.db2.gz YVIJFQWUTZGLGI-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)C2CCCC2)s1 ZINC000536632975 323199067 /nfs/dbraw/zinc/19/90/67/323199067.db2.gz LPIJZBMTEDLODW-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO Cc1ccsc1C[N@H+](C1CC1)C1CCCC1 ZINC000536633450 323198948 /nfs/dbraw/zinc/19/89/48/323198948.db2.gz WSNGGZYUJMDTJI-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000536633693 323198959 /nfs/dbraw/zinc/19/89/59/323198959.db2.gz ZHNKOMWKGKKSFG-AWEZNQCLSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000536633694 323199094 /nfs/dbraw/zinc/19/90/94/323199094.db2.gz ZHNKOMWKGKKSFG-CQSZACIVSA-N 1 0 247.382 3.848 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000536638515 323199245 /nfs/dbraw/zinc/19/92/45/323199245.db2.gz KJSSXFFHNYNIGF-GFCCVEGCSA-N 1 0 237.412 3.885 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000536638516 323199358 /nfs/dbraw/zinc/19/93/58/323199358.db2.gz KJSSXFFHNYNIGF-LBPRGKRZSA-N 1 0 237.412 3.885 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccnc2ccccc12 ZINC000536638707 323199123 /nfs/dbraw/zinc/19/91/23/323199123.db2.gz VFSSZRMSFGJTKA-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccnc2ccccc12 ZINC000536638708 323199217 /nfs/dbraw/zinc/19/92/17/323199217.db2.gz VFSSZRMSFGJTKA-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[N@@H+](Cc1cc(F)cc(F)c1)CC1CC1 ZINC000536639834 323199108 /nfs/dbraw/zinc/19/91/08/323199108.db2.gz QVDBIRHDROMDDZ-UHFFFAOYSA-N 1 0 239.309 3.585 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1c(F)cccc1F ZINC000536639909 323199282 /nfs/dbraw/zinc/19/92/82/323199282.db2.gz YUSNDNIRNXCJON-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1c(F)cccc1F ZINC000536639911 323199240 /nfs/dbraw/zinc/19/92/40/323199240.db2.gz YUSNDNIRNXCJON-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)ccc1F ZINC000536639994 323199105 /nfs/dbraw/zinc/19/91/05/323199105.db2.gz HTAULBQNXGIGJK-UHFFFAOYSA-N 1 0 235.346 3.755 20 0 BHADRO C[N@H+](Cc1ccnc2ccccc12)CC(C)(C)C ZINC000536648964 323199614 /nfs/dbraw/zinc/19/96/14/323199614.db2.gz JQWWELDLBVTQDC-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO C[N@H+](Cc1ccnc2ccccc12)C1CCCC1 ZINC000536649917 323199631 /nfs/dbraw/zinc/19/96/31/323199631.db2.gz ZDJYYOLUYRQCOO-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CCc1ccc(C[N@H+](C)C(C2CC2)C2CC2)s1 ZINC000536653681 323199644 /nfs/dbraw/zinc/19/96/44/323199644.db2.gz KHWJRNGYPCLTJD-UHFFFAOYSA-N 1 0 249.423 3.931 20 0 BHADRO CCCOc1ccc(C[N@H+](C)CC(C)C)cc1 ZINC000536653875 323199561 /nfs/dbraw/zinc/19/95/61/323199561.db2.gz RSUNIGPYGMTBLE-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000536655563 323199931 /nfs/dbraw/zinc/19/99/31/323199931.db2.gz FLQGSPMOVZHNPQ-LLVKDONJSA-N 1 0 225.401 3.923 20 0 BHADRO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000536655564 323199965 /nfs/dbraw/zinc/19/99/65/323199965.db2.gz FLQGSPMOVZHNPQ-NSHDSACASA-N 1 0 225.401 3.923 20 0 BHADRO C[C@H]([N@H+](C)Cc1c(F)cccc1F)C(C)(C)C ZINC000536655807 323200071 /nfs/dbraw/zinc/20/00/71/323200071.db2.gz YRGCOXXVFSRNAC-JTQLQIEISA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H]([N@H+](C)Cc1c(F)cccc1F)C(C)(C)C ZINC000536655808 323200001 /nfs/dbraw/zinc/20/00/01/323200001.db2.gz YRGCOXXVFSRNAC-SNVBAGLBSA-N 1 0 241.325 3.831 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000536655934 323200074 /nfs/dbraw/zinc/20/00/74/323200074.db2.gz HJRABIGUTSEGRH-LLVKDONJSA-N 1 0 223.360 3.708 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000536655935 323200022 /nfs/dbraw/zinc/20/00/22/323200022.db2.gz HJRABIGUTSEGRH-NSHDSACASA-N 1 0 223.360 3.708 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)C(C)(C)C)s1 ZINC000536655936 323199967 /nfs/dbraw/zinc/19/99/67/323199967.db2.gz IICDQUPUTCAKFP-JTQLQIEISA-N 1 0 240.416 3.626 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C)[C@H](C)C(C)(C)C)s1 ZINC000536655937 323199971 /nfs/dbraw/zinc/19/99/71/323199971.db2.gz IICDQUPUTCAKFP-SNVBAGLBSA-N 1 0 240.416 3.626 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000536655942 323200008 /nfs/dbraw/zinc/20/00/08/323200008.db2.gz KYGMVWJJGJZCHM-JTQLQIEISA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000536655943 323199936 /nfs/dbraw/zinc/19/99/36/323199936.db2.gz KYGMVWJJGJZCHM-SNVBAGLBSA-N 1 0 241.325 3.831 20 0 BHADRO COCc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000536655944 323199922 /nfs/dbraw/zinc/19/99/22/323199922.db2.gz MDLQUKKPCSULRP-CYBMUJFWSA-N 1 0 249.398 3.699 20 0 BHADRO COCc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000536655946 323200066 /nfs/dbraw/zinc/20/00/66/323200066.db2.gz MDLQUKKPCSULRP-ZDUSSCGKSA-N 1 0 249.398 3.699 20 0 BHADRO CCc1ccc(C[NH+]2Cc3ccccc3C2)s1 ZINC000536656989 323200042 /nfs/dbraw/zinc/20/00/42/323200042.db2.gz YCLLQGLRANDCRN-UHFFFAOYSA-N 1 0 243.375 3.826 20 0 BHADRO CCc1ccc(C[N@H+](C(C)C)C2CC2)s1 ZINC000536658596 323199851 /nfs/dbraw/zinc/19/98/51/323199851.db2.gz HDKXPNOQQUSAFQ-UHFFFAOYSA-N 1 0 223.385 3.683 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000536658891 323199875 /nfs/dbraw/zinc/19/98/75/323199875.db2.gz RTNHCEGCJSRYPR-GHMZBOCLSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000536658892 323199807 /nfs/dbraw/zinc/19/98/07/323199807.db2.gz RTNHCEGCJSRYPR-MNOVXSKESA-N 1 0 247.313 3.802 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000536658893 323199769 /nfs/dbraw/zinc/19/97/69/323199769.db2.gz RTNHCEGCJSRYPR-QWRGUYRKSA-N 1 0 247.313 3.802 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000536658894 323199849 /nfs/dbraw/zinc/19/98/49/323199849.db2.gz RTNHCEGCJSRYPR-WDEREUQCSA-N 1 0 247.313 3.802 20 0 BHADRO CCCOc1ccc(C[N@H+](CC)C2CCC2)cc1 ZINC000536659254 323199719 /nfs/dbraw/zinc/19/97/19/323199719.db2.gz RGKURLLBGWZMAD-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)s2)C1 ZINC000536659349 323199705 /nfs/dbraw/zinc/19/97/05/323199705.db2.gz XZPUHQPHWJVTFD-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Cl)s1 ZINC000536659350 323199753 /nfs/dbraw/zinc/19/97/53/323199753.db2.gz XZPUHQPHWJVTFD-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)s2)C1 ZINC000536659351 323199897 /nfs/dbraw/zinc/19/98/97/323199897.db2.gz XZPUHQPHWJVTFD-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)s2)C1 ZINC000536659352 323199823 /nfs/dbraw/zinc/19/98/23/323199823.db2.gz XZPUHQPHWJVTFD-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO CC[N@H+](Cc1cc(C)ccc1C)C1CCC1 ZINC000536659712 323199766 /nfs/dbraw/zinc/19/97/66/323199766.db2.gz RZHWIGSOZCBHMV-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CC[N@H+](C/C(C)=C\c1ccccc1)C1CCC1 ZINC000536659886 323199721 /nfs/dbraw/zinc/19/97/21/323199721.db2.gz KMQMTYULYMNGSH-OWBHPGMISA-N 1 0 229.367 3.964 20 0 BHADRO CC[N@H+](C/C(C)=C/c1ccccc1)C1CCC1 ZINC000536659887 323199789 /nfs/dbraw/zinc/19/97/89/323199789.db2.gz KMQMTYULYMNGSH-WYMLVPIESA-N 1 0 229.367 3.964 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000536659958 323199842 /nfs/dbraw/zinc/19/98/42/323199842.db2.gz PHZQMSYOEXVWMB-HNNXBMFYSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000536659959 323199873 /nfs/dbraw/zinc/19/98/73/323199873.db2.gz PHZQMSYOEXVWMB-OAHLLOKOSA-N 1 0 249.398 3.549 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1C)C1CCC1 ZINC000536661071 323199878 /nfs/dbraw/zinc/19/98/78/323199878.db2.gz WGDIHPDMSXXETH-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCC2)ccc1F ZINC000536661196 323199812 /nfs/dbraw/zinc/19/98/12/323199812.db2.gz MVWLOBVXPKWRRO-UHFFFAOYSA-N 1 0 235.346 3.897 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(F)cc1)C1CCC1 ZINC000536661423 323199810 /nfs/dbraw/zinc/19/98/10/323199810.db2.gz PCICZXQFJPRVKO-PLNGDYQASA-N 1 0 233.330 3.713 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(F)cc1)C1CCC1 ZINC000536661424 323199869 /nfs/dbraw/zinc/19/98/69/323199869.db2.gz PCICZXQFJPRVKO-SNAWJCMRSA-N 1 0 233.330 3.713 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1F ZINC000536661450 323199739 /nfs/dbraw/zinc/19/97/39/323199739.db2.gz QDLWUXRUHJDIHF-UHFFFAOYSA-N 1 0 235.346 3.897 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000536661632 323199891 /nfs/dbraw/zinc/19/98/91/323199891.db2.gz YWWAQAUDCDURSJ-CDJBXZAQSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000536661633 323199756 /nfs/dbraw/zinc/19/97/56/323199756.db2.gz YWWAQAUDCDURSJ-FGTRRKKMSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000536661634 323199708 /nfs/dbraw/zinc/19/97/08/323199708.db2.gz YWWAQAUDCDURSJ-HNFMAKEJSA-N 1 0 233.330 3.569 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000536661635 323199762 /nfs/dbraw/zinc/19/97/62/323199762.db2.gz YWWAQAUDCDURSJ-JXLSXLBDSA-N 1 0 233.330 3.569 20 0 BHADRO CC[N@H+](Cc1cccc(Cl)c1F)C1CCC1 ZINC000536661688 323199888 /nfs/dbraw/zinc/19/98/88/323199888.db2.gz CCGZCBHQECQMMY-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO Cc1ccc(F)c(C[N@@H+](C(C)C)C2CCC2)c1 ZINC000536661709 323199786 /nfs/dbraw/zinc/19/97/86/323199786.db2.gz CZCXZJJGGLLELQ-UHFFFAOYSA-N 1 0 235.346 3.897 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C2CCC2)s1 ZINC000536663111 323199771 /nfs/dbraw/zinc/19/97/71/323199771.db2.gz XAAWJQFQNCXPMW-UHFFFAOYSA-N 1 0 223.385 3.685 20 0 BHADRO Cc1ccoc1C[N@@H+]1CCCC12CCCCC2 ZINC000536663525 323199782 /nfs/dbraw/zinc/19/97/82/323199782.db2.gz LNAVBKQSJQPMPI-UHFFFAOYSA-N 1 0 233.355 3.887 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C)nc1 ZINC000536664165 323199814 /nfs/dbraw/zinc/19/98/14/323199814.db2.gz GPCDCJDAHBHTTA-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO CC(C)C[N@H+](Cc1cccn1C)CC(C)(C)C ZINC000536664169 323199703 /nfs/dbraw/zinc/19/97/03/323199703.db2.gz GSHXFEHQWSVFSI-UHFFFAOYSA-N 1 0 236.403 3.529 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000536665335 323200151 /nfs/dbraw/zinc/20/01/51/323200151.db2.gz DGKDTYDLCCTNCR-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000536665336 323200135 /nfs/dbraw/zinc/20/01/35/323200135.db2.gz DGKDTYDLCCTNCR-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000536665337 323200141 /nfs/dbraw/zinc/20/01/41/323200141.db2.gz DGKDTYDLCCTNCR-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000536665338 323200227 /nfs/dbraw/zinc/20/02/27/323200227.db2.gz DGKDTYDLCCTNCR-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000536665664 323200166 /nfs/dbraw/zinc/20/01/66/323200166.db2.gz XKGJYVPHCGLRTQ-HNNXBMFYSA-N 1 0 247.382 3.793 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000536665665 323200182 /nfs/dbraw/zinc/20/01/82/323200182.db2.gz XKGJYVPHCGLRTQ-OAHLLOKOSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000536667943 323200223 /nfs/dbraw/zinc/20/02/23/323200223.db2.gz SHVCDWQRKWVTNF-HNNXBMFYSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000536667944 323200174 /nfs/dbraw/zinc/20/01/74/323200174.db2.gz SHVCDWQRKWVTNF-OAHLLOKOSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000536668124 323200233 /nfs/dbraw/zinc/20/02/33/323200233.db2.gz LCKJTNBBJSWGLW-DOMZBBRYSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000536668125 323200099 /nfs/dbraw/zinc/20/00/99/323200099.db2.gz LCKJTNBBJSWGLW-IUODEOHRSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000536668126 323200206 /nfs/dbraw/zinc/20/02/06/323200206.db2.gz LCKJTNBBJSWGLW-SWLSCSKDSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000536668127 323200143 /nfs/dbraw/zinc/20/01/43/323200143.db2.gz LCKJTNBBJSWGLW-WFASDCNBSA-N 1 0 242.366 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000536668252 323200274 /nfs/dbraw/zinc/20/02/74/323200274.db2.gz QOQYEPHXDKSYHR-NAUDGSTISA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000536668254 323200439 /nfs/dbraw/zinc/20/04/39/323200439.db2.gz QOQYEPHXDKSYHR-ONPHEMOESA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000536668255 323200378 /nfs/dbraw/zinc/20/03/78/323200378.db2.gz QOQYEPHXDKSYHR-RCQSYPNMSA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000536668256 323200276 /nfs/dbraw/zinc/20/02/76/323200276.db2.gz QOQYEPHXDKSYHR-SPTPGQEZSA-N 1 0 241.378 3.822 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)C(C)(C)C1 ZINC000536668516 323200349 /nfs/dbraw/zinc/20/03/49/323200349.db2.gz HSIPBOSEOABEDE-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)C(C)(C)C1 ZINC000536668518 323200333 /nfs/dbraw/zinc/20/03/33/323200333.db2.gz HSIPBOSEOABEDE-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CC=C(C)CC1 ZINC000536668985 323200330 /nfs/dbraw/zinc/20/03/30/323200330.db2.gz VSXGNFILBWPGFM-NTCAYCPXSA-N 1 0 227.351 3.742 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CC=C(C)CC1 ZINC000536668986 323200271 /nfs/dbraw/zinc/20/02/71/323200271.db2.gz VSXGNFILBWPGFM-QINSGFPZSA-N 1 0 227.351 3.742 20 0 BHADRO Cc1ccsc1C[NH+](CC1CC1)CC1CC1 ZINC000536669131 323200388 /nfs/dbraw/zinc/20/03/88/323200388.db2.gz UNUILRHJPYHWOC-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000536669538 323200335 /nfs/dbraw/zinc/20/03/35/323200335.db2.gz ORUNIKPBBKUAGO-FQSSWDBKSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000536669539 323200368 /nfs/dbraw/zinc/20/03/68/323200368.db2.gz ORUNIKPBBKUAGO-FVIMBVCGSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000536669540 323200242 /nfs/dbraw/zinc/20/02/42/323200242.db2.gz ORUNIKPBBKUAGO-NFRRXOSXSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000536669541 323200406 /nfs/dbraw/zinc/20/04/06/323200406.db2.gz ORUNIKPBBKUAGO-SKLCMXRPSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000536670876 323200447 /nfs/dbraw/zinc/20/04/47/323200447.db2.gz PGTAIUAUFMUHIA-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ncccc1C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000536670877 323200421 /nfs/dbraw/zinc/20/04/21/323200421.db2.gz PGTAIUAUFMUHIA-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CCc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)s1 ZINC000536671028 323200583 /nfs/dbraw/zinc/20/05/83/323200583.db2.gz UJCPFKUFBIETSR-RYUDHWBXSA-N 1 0 235.396 3.542 20 0 BHADRO CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000536671029 323200494 /nfs/dbraw/zinc/20/04/94/323200494.db2.gz UJCPFKUFBIETSR-TXEJJXNPSA-N 1 0 235.396 3.542 20 0 BHADRO CCc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)s1 ZINC000536671030 323200608 /nfs/dbraw/zinc/20/06/08/323200608.db2.gz UJCPFKUFBIETSR-VXGBXAGGSA-N 1 0 235.396 3.542 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000536671196 323200591 /nfs/dbraw/zinc/20/05/91/323200591.db2.gz LOZYXEXPPSHHAY-DNBFZZCYSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000536671197 323200491 /nfs/dbraw/zinc/20/04/91/323200491.db2.gz LOZYXEXPPSHHAY-PZGMIKLFSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000536671198 323200489 /nfs/dbraw/zinc/20/04/89/323200489.db2.gz LOZYXEXPPSHHAY-TZARZLCXSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000536671199 323200477 /nfs/dbraw/zinc/20/04/77/323200477.db2.gz LOZYXEXPPSHHAY-WNUVYJMLSA-N 1 0 245.341 3.571 20 0 BHADRO CC[N@H+](CC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000536672764 323200528 /nfs/dbraw/zinc/20/05/28/323200528.db2.gz LVFSJPDWYSXCGV-CVEARBPZSA-N 1 0 229.367 3.522 20 0 BHADRO CC[N@H+](CC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000536672765 323200600 /nfs/dbraw/zinc/20/06/00/323200600.db2.gz LVFSJPDWYSXCGV-HZPDHXFCSA-N 1 0 229.367 3.522 20 0 BHADRO CC[N@H+](CC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000536672766 323200546 /nfs/dbraw/zinc/20/05/46/323200546.db2.gz LVFSJPDWYSXCGV-JKSUJKDBSA-N 1 0 229.367 3.522 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(F)cc1)CC1CC1 ZINC000536672860 323200521 /nfs/dbraw/zinc/20/05/21/323200521.db2.gz UTTALLQYRIVFKF-ARJAWSKDSA-N 1 0 233.330 3.571 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(F)cc1)CC1CC1 ZINC000536672861 323200507 /nfs/dbraw/zinc/20/05/07/323200507.db2.gz UTTALLQYRIVFKF-ONEGZZNKSA-N 1 0 233.330 3.571 20 0 BHADRO CC[N@@H+](Cc1ccc(C)c(C)c1)CC1CC1 ZINC000536672907 323200462 /nfs/dbraw/zinc/20/04/62/323200462.db2.gz XYJBUSMIMWWUAT-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2cccs2)C1 ZINC000536673344 323200632 /nfs/dbraw/zinc/20/06/32/323200632.db2.gz NVNNMGVGKORRMM-UHFFFAOYSA-N 1 0 223.385 3.760 20 0 BHADRO CCCOc1cccc(C[N@H+](CC)CC2CC2)c1 ZINC000536673749 323200706 /nfs/dbraw/zinc/20/07/06/323200706.db2.gz KBHGITCSNBQQQV-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000536673905 323200710 /nfs/dbraw/zinc/20/07/10/323200710.db2.gz BICLFPZGSAWOHG-LLVKDONJSA-N 1 0 231.364 3.886 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000536673906 323200661 /nfs/dbraw/zinc/20/06/61/323200661.db2.gz BICLFPZGSAWOHG-NSHDSACASA-N 1 0 231.364 3.886 20 0 BHADRO CCc1ccc(C[N@H+](CC)CC2CC2)s1 ZINC000536674207 323200708 /nfs/dbraw/zinc/20/07/08/323200708.db2.gz QCPITJHBXSPVCD-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO CC[N@@H+](C/C(C)=C\c1ccccc1)CC1CC1 ZINC000536674423 323200757 /nfs/dbraw/zinc/20/07/57/323200757.db2.gz ZCGADIUGUJVAGW-KAMYIIQDSA-N 1 0 229.367 3.822 20 0 BHADRO CC[N@@H+](C/C(C)=C/c1ccccc1)CC1CC1 ZINC000536674424 323200641 /nfs/dbraw/zinc/20/06/41/323200641.db2.gz ZCGADIUGUJVAGW-SDNWHVSQSA-N 1 0 229.367 3.822 20 0 BHADRO CCCOc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000536676619 323200669 /nfs/dbraw/zinc/20/06/69/323200669.db2.gz TVHUIVKKDWPUJO-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)CC1CC1 ZINC000536677156 323200704 /nfs/dbraw/zinc/20/07/04/323200704.db2.gz WTOUXOIORHZJGD-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccs1 ZINC000536679657 323200737 /nfs/dbraw/zinc/20/07/37/323200737.db2.gz HOZXLEDMJUCFKX-GFCCVEGCSA-N 1 0 223.385 3.903 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cccs1 ZINC000536679658 323200629 /nfs/dbraw/zinc/20/06/29/323200629.db2.gz HOZXLEDMJUCFKX-LBPRGKRZSA-N 1 0 223.385 3.903 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC(C)(C)C2)s1 ZINC000536679925 323200902 /nfs/dbraw/zinc/20/09/02/323200902.db2.gz SZYUHAHHHWIQCA-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000536680357 323200807 /nfs/dbraw/zinc/20/08/07/323200807.db2.gz PRYBOINNAZQKJM-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000536681442 323200797 /nfs/dbraw/zinc/20/07/97/323200797.db2.gz VXASCKZGYDYXEJ-AWEZNQCLSA-N 1 0 243.350 3.651 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000536681443 323200815 /nfs/dbraw/zinc/20/08/15/323200815.db2.gz VXASCKZGYDYXEJ-CQSZACIVSA-N 1 0 243.350 3.651 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000536681559 323200778 /nfs/dbraw/zinc/20/07/78/323200778.db2.gz LAEFFKIRHZTVTI-NEPJUHHUSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000536681561 323200927 /nfs/dbraw/zinc/20/09/27/323200927.db2.gz LAEFFKIRHZTVTI-NWDGAFQWSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000536681562 323200914 /nfs/dbraw/zinc/20/09/14/323200914.db2.gz LAEFFKIRHZTVTI-RYUDHWBXSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000536681564 323200916 /nfs/dbraw/zinc/20/09/16/323200916.db2.gz LAEFFKIRHZTVTI-VXGBXAGGSA-N 1 0 235.396 3.639 20 0 BHADRO CC1(C)CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000536683652 323200883 /nfs/dbraw/zinc/20/08/83/323200883.db2.gz YUTUXAPVJRZVPX-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000536695205 323201085 /nfs/dbraw/zinc/20/10/85/323201085.db2.gz RJPYDIIXUHITNT-KYOSRNDESA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)o1 ZINC000536695206 323201025 /nfs/dbraw/zinc/20/10/25/323201025.db2.gz RJPYDIIXUHITNT-OSAQELSMSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000536695207 323201034 /nfs/dbraw/zinc/20/10/34/323201034.db2.gz RJPYDIIXUHITNT-UXIGCNINSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)o1 ZINC000536695208 323201068 /nfs/dbraw/zinc/20/10/68/323201068.db2.gz RJPYDIIXUHITNT-ZLDLUXBVSA-N 1 0 245.366 3.635 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)s1 ZINC000536695279 323201103 /nfs/dbraw/zinc/20/11/03/323201103.db2.gz XJJQEAIMYXNKAS-GFCCVEGCSA-N 1 0 235.396 3.542 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)s1 ZINC000536695280 323201066 /nfs/dbraw/zinc/20/10/66/323201066.db2.gz XJJQEAIMYXNKAS-LBPRGKRZSA-N 1 0 235.396 3.542 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000536696768 323201028 /nfs/dbraw/zinc/20/10/28/323201028.db2.gz GPNVAFIAXVNGLL-INIZCTEOSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000536696769 323201090 /nfs/dbraw/zinc/20/10/90/323201090.db2.gz GPNVAFIAXVNGLL-MRXNPFEDSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000536698325 323201041 /nfs/dbraw/zinc/20/10/41/323201041.db2.gz XQQGCRNTTIJAME-AWEZNQCLSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000536698327 323201093 /nfs/dbraw/zinc/20/10/93/323201093.db2.gz XQQGCRNTTIJAME-CQSZACIVSA-N 1 0 239.309 3.587 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCOC(C)C ZINC000536700710 323201294 /nfs/dbraw/zinc/20/12/94/323201294.db2.gz VSUPLVLOARHYEA-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCOC(C)C ZINC000536700711 323201234 /nfs/dbraw/zinc/20/12/34/323201234.db2.gz VSUPLVLOARHYEA-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCOC(C)C ZINC000536700712 323201304 /nfs/dbraw/zinc/20/13/04/323201304.db2.gz VSUPLVLOARHYEA-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCOC(C)C ZINC000536700713 323201320 /nfs/dbraw/zinc/20/13/20/323201320.db2.gz VSUPLVLOARHYEA-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CCCCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536703758 323201358 /nfs/dbraw/zinc/20/13/58/323201358.db2.gz XBWSCKILARYEGJ-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000536705945 487605735 /nfs/dbraw/zinc/60/57/35/487605735.db2.gz TUJUJNFBIOJUHX-CYBMUJFWSA-N 1 0 248.414 3.839 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000536705946 487605634 /nfs/dbraw/zinc/60/56/34/487605634.db2.gz TUJUJNFBIOJUHX-ZDUSSCGKSA-N 1 0 248.414 3.839 20 0 BHADRO CCC(CC)[N@@H+](Cc1ccn(C)c1)CC(C)C ZINC000536709232 323201727 /nfs/dbraw/zinc/20/17/27/323201727.db2.gz LMCLECZKNVVDOJ-UHFFFAOYSA-N 1 0 236.403 3.672 20 0 BHADRO CC[C@@H](C[N@H+](C)Cc1ccc[nH]1)c1ccccc1 ZINC000536711320 323201976 /nfs/dbraw/zinc/20/19/76/323201976.db2.gz YGFCNQKOFZSQRB-AWEZNQCLSA-N 1 0 242.366 3.640 20 0 BHADRO CC[C@H](C[N@H+](C)Cc1ccc[nH]1)c1ccccc1 ZINC000536711322 323201995 /nfs/dbraw/zinc/20/19/95/323201995.db2.gz YGFCNQKOFZSQRB-CQSZACIVSA-N 1 0 242.366 3.640 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1F ZINC000536743697 323202876 /nfs/dbraw/zinc/20/28/76/323202876.db2.gz OAICPZXTIFQBCI-GWCFXTLKSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1F ZINC000536743698 323202853 /nfs/dbraw/zinc/20/28/53/323202853.db2.gz OAICPZXTIFQBCI-GXFFZTMASA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1F ZINC000536743699 323202824 /nfs/dbraw/zinc/20/28/24/323202824.db2.gz OAICPZXTIFQBCI-MFKMUULPSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1F ZINC000536743700 323202885 /nfs/dbraw/zinc/20/28/85/323202885.db2.gz OAICPZXTIFQBCI-ZWNOBZJWSA-N 1 0 239.309 3.728 20 0 BHADRO Cc1cccnc1C[N@H+]1CCCC[C@H]1CC(C)C ZINC000536749840 323203025 /nfs/dbraw/zinc/20/30/25/323203025.db2.gz ZTOWHFRDZJKGSL-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000536749841 323203006 /nfs/dbraw/zinc/20/30/06/323203006.db2.gz ZTOWHFRDZJKGSL-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536750134 323203018 /nfs/dbraw/zinc/20/30/18/323203018.db2.gz QYAQCCXCQIGSFB-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO Cc1cccnc1C[N@H+](C)CCC1CCCCC1 ZINC000536753847 323202907 /nfs/dbraw/zinc/20/29/07/323202907.db2.gz STQIISIYRDQNKO-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1COC(C)C ZINC000536754502 323204476 /nfs/dbraw/zinc/20/44/76/323204476.db2.gz ARFDTBREJPMORH-AWEZNQCLSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1COC(C)C ZINC000536754534 323204463 /nfs/dbraw/zinc/20/44/63/323204463.db2.gz ARFDTBREJPMORH-CQSZACIVSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)Cc1ccccc1OC ZINC000536755090 323204540 /nfs/dbraw/zinc/20/45/40/323204540.db2.gz FDJXJLHUNWATTM-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)Cc1ccccc1OC ZINC000536755106 323204583 /nfs/dbraw/zinc/20/45/83/323204583.db2.gz FDJXJLHUNWATTM-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000536755195 323204481 /nfs/dbraw/zinc/20/44/81/323204481.db2.gz GGRYPJBQHRTXNM-CYBMUJFWSA-N 1 0 247.382 3.611 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000536755213 323204532 /nfs/dbraw/zinc/20/45/32/323204532.db2.gz GGRYPJBQHRTXNM-ZDUSSCGKSA-N 1 0 247.382 3.611 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000536756167 323204578 /nfs/dbraw/zinc/20/45/78/323204578.db2.gz NEBVKSHWYRQRSZ-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000536756177 323204558 /nfs/dbraw/zinc/20/45/58/323204558.db2.gz NEBVKSHWYRQRSZ-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000536756755 323204662 /nfs/dbraw/zinc/20/46/62/323204662.db2.gz PEOMUBPWMKLZGO-GDBMZVCRSA-N 1 0 243.394 3.882 20 0 BHADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000536756783 323204597 /nfs/dbraw/zinc/20/45/97/323204597.db2.gz PEOMUBPWMKLZGO-GOEBONIOSA-N 1 0 243.394 3.882 20 0 BHADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000536756784 323204614 /nfs/dbraw/zinc/20/46/14/323204614.db2.gz PEOMUBPWMKLZGO-HOCLYGCPSA-N 1 0 243.394 3.882 20 0 BHADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000536756785 323204588 /nfs/dbraw/zinc/20/45/88/323204588.db2.gz PEOMUBPWMKLZGO-ZBFHGGJFSA-N 1 0 243.394 3.882 20 0 BHADRO C[C@]1(c2ccccc2)CC[N@@H+](C2CCCC2)C1 ZINC000536757145 323204712 /nfs/dbraw/zinc/20/47/12/323204712.db2.gz RXQLEKYZKWQRGB-INIZCTEOSA-N 1 0 229.367 3.593 20 0 BHADRO C[C@@]1(c2ccccc2)CC[N@@H+](C2CCCC2)C1 ZINC000536757156 323204590 /nfs/dbraw/zinc/20/45/90/323204590.db2.gz RXQLEKYZKWQRGB-MRXNPFEDSA-N 1 0 229.367 3.593 20 0 BHADRO CC[C@H](C)C[NH2+]C1(Cc2ccccc2)CCC1 ZINC000536757685 323204616 /nfs/dbraw/zinc/20/46/16/323204616.db2.gz WJYOWTDRJGQGFJ-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H](C)C[NH2+]C1(Cc2ccccc2)CCC1 ZINC000536757692 323204725 /nfs/dbraw/zinc/20/47/25/323204725.db2.gz WJYOWTDRJGQGFJ-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)c1cccc(OC)c1 ZINC000536758483 323204585 /nfs/dbraw/zinc/20/45/85/323204585.db2.gz ZUZFPKBXGOJCQP-CYBMUJFWSA-N 1 0 249.398 3.609 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)c1cccc(OC)c1 ZINC000536758485 323204592 /nfs/dbraw/zinc/20/45/92/323204592.db2.gz ZUZFPKBXGOJCQP-ZDUSSCGKSA-N 1 0 249.398 3.609 20 0 BHADRO CC[C@H](C)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000536758632 323204638 /nfs/dbraw/zinc/20/46/38/323204638.db2.gz UUTNOZKFQCOKMB-JTQLQIEISA-N 1 0 241.325 3.836 20 0 BHADRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000536758637 323204681 /nfs/dbraw/zinc/20/46/81/323204681.db2.gz UUTNOZKFQCOKMB-SNVBAGLBSA-N 1 0 241.325 3.836 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000536773227 323205165 /nfs/dbraw/zinc/20/51/65/323205165.db2.gz WHENLHQMIKNPIH-AOLWHUPESA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000536773232 323205047 /nfs/dbraw/zinc/20/50/47/323205047.db2.gz WHENLHQMIKNPIH-ATVPRXPUSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000536773234 323205060 /nfs/dbraw/zinc/20/50/60/323205060.db2.gz WHENLHQMIKNPIH-OEYIWLLWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000536773235 323205116 /nfs/dbraw/zinc/20/51/16/323205116.db2.gz WHENLHQMIKNPIH-ZGMNHVEMSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000536773358 323205027 /nfs/dbraw/zinc/20/50/27/323205027.db2.gz XWZPRZJAPSDTHN-AWEZNQCLSA-N 1 0 244.382 3.931 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000536773376 323205133 /nfs/dbraw/zinc/20/51/33/323205133.db2.gz XWZPRZJAPSDTHN-CQSZACIVSA-N 1 0 244.382 3.931 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000536804819 323398881 /nfs/dbraw/zinc/39/88/81/323398881.db2.gz DVUMPGPZXIIRLN-AWEZNQCLSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000536804842 323399160 /nfs/dbraw/zinc/39/91/60/323399160.db2.gz DVUMPGPZXIIRLN-CQSZACIVSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1ccccc1N(C)C ZINC000536807709 323399254 /nfs/dbraw/zinc/39/92/54/323399254.db2.gz WXVWPDVUGNQOLZ-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1ccccc1N(C)C ZINC000536807720 323399061 /nfs/dbraw/zinc/39/90/61/323399061.db2.gz WXVWPDVUGNQOLZ-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)CCCO ZINC000536827495 398167244 /nfs/dbraw/zinc/16/72/44/398167244.db2.gz OYXKETSBLUXQTO-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)CCCO ZINC000536827519 398167089 /nfs/dbraw/zinc/16/70/89/398167089.db2.gz OYXKETSBLUXQTO-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)CCCO ZINC000536827523 398167035 /nfs/dbraw/zinc/16/70/35/398167035.db2.gz OYXKETSBLUXQTO-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)CCCO ZINC000536827524 398167030 /nfs/dbraw/zinc/16/70/30/398167030.db2.gz OYXKETSBLUXQTO-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccc(O)c1 ZINC000536828383 387505068 /nfs/dbraw/zinc/50/50/68/387505068.db2.gz SPRZTVVNZQUBES-DOMZBBRYSA-N 1 0 235.371 3.697 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccc(O)c1 ZINC000536828398 323659012 /nfs/dbraw/zinc/65/90/12/323659012.db2.gz SPRZTVVNZQUBES-IUODEOHRSA-N 1 0 235.371 3.697 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccc(O)c1 ZINC000536828400 387505323 /nfs/dbraw/zinc/50/53/23/387505323.db2.gz SPRZTVVNZQUBES-SWLSCSKDSA-N 1 0 235.371 3.697 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccc(O)c1 ZINC000536828401 323659085 /nfs/dbraw/zinc/65/90/85/323659085.db2.gz SPRZTVVNZQUBES-WFASDCNBSA-N 1 0 235.371 3.697 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000536829529 323658997 /nfs/dbraw/zinc/65/89/97/323658997.db2.gz ZYQAQMLDZZHJFT-CABCVRRESA-N 1 0 241.419 3.748 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000536829533 387505270 /nfs/dbraw/zinc/50/52/70/387505270.db2.gz ZYQAQMLDZZHJFT-GJZGRUSLSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000536829534 323659378 /nfs/dbraw/zinc/65/93/78/323659378.db2.gz ZYQAQMLDZZHJFT-HUUCEWRRSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000536829536 323659048 /nfs/dbraw/zinc/65/90/48/323659048.db2.gz ZYQAQMLDZZHJFT-LSDHHAIUSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000536830061 323662415 /nfs/dbraw/zinc/66/24/15/323662415.db2.gz BMACQGWUYAOFAS-KBPBESRZSA-N 1 0 248.414 3.838 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000536830093 323662222 /nfs/dbraw/zinc/66/22/22/323662222.db2.gz BMACQGWUYAOFAS-KGLIPLIRSA-N 1 0 248.414 3.838 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000536830095 323662343 /nfs/dbraw/zinc/66/23/43/323662343.db2.gz BMACQGWUYAOFAS-UONOGXRCSA-N 1 0 248.414 3.838 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000536830101 323662378 /nfs/dbraw/zinc/66/23/78/323662378.db2.gz BMACQGWUYAOFAS-ZIAGYGMSSA-N 1 0 248.414 3.838 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000536830585 323662217 /nfs/dbraw/zinc/66/22/17/323662217.db2.gz DFXPKGGMJKPRRU-GXTWGEPZSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000536830603 387510349 /nfs/dbraw/zinc/51/03/49/387510349.db2.gz DFXPKGGMJKPRRU-JSGCOSHPSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000536830604 323662346 /nfs/dbraw/zinc/66/23/46/323662346.db2.gz DFXPKGGMJKPRRU-OCCSQVGLSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000536830605 387508770 /nfs/dbraw/zinc/50/87/70/387508770.db2.gz DFXPKGGMJKPRRU-TZMCWYRMSA-N 1 0 249.423 3.945 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000536831332 387512315 /nfs/dbraw/zinc/51/23/15/387512315.db2.gz HAFGAHVTFLBKHK-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000536831364 387511361 /nfs/dbraw/zinc/51/13/61/387511361.db2.gz HAFGAHVTFLBKHK-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000536831366 323662305 /nfs/dbraw/zinc/66/23/05/323662305.db2.gz HAFGAHVTFLBKHK-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000536831369 387511551 /nfs/dbraw/zinc/51/15/51/387511551.db2.gz HAFGAHVTFLBKHK-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000536835949 323662499 /nfs/dbraw/zinc/66/24/99/323662499.db2.gz YMXTXUZIMMGNGV-BLLLJJGKSA-N 1 0 241.378 3.700 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000536835953 323662275 /nfs/dbraw/zinc/66/22/75/323662275.db2.gz YMXTXUZIMMGNGV-LRDDRELGSA-N 1 0 241.378 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000536835954 387513820 /nfs/dbraw/zinc/51/38/20/387513820.db2.gz YMXTXUZIMMGNGV-MLGOLLRUSA-N 1 0 241.378 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000536835955 323662351 /nfs/dbraw/zinc/66/23/51/323662351.db2.gz YMXTXUZIMMGNGV-WBMJQRKESA-N 1 0 241.378 3.700 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)C1CCCCC1)c1cn[nH]c1 ZINC000536837225 323662494 /nfs/dbraw/zinc/66/24/94/323662494.db2.gz DXMUHYBZJTXGLT-AGIUHOORSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([C@H](C)[NH2+][C@@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000536837260 387517414 /nfs/dbraw/zinc/51/74/14/387517414.db2.gz DXMUHYBZJTXGLT-AVGNSLFASA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@@H](C)C1CCCCC1 ZINC000536837261 387517078 /nfs/dbraw/zinc/51/70/78/387517078.db2.gz DXMUHYBZJTXGLT-UPJWGTAASA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@H](C)C1CCCCC1 ZINC000536837263 387517722 /nfs/dbraw/zinc/51/77/22/387517722.db2.gz DXMUHYBZJTXGLT-XQQFMLRXSA-N 1 0 249.402 3.665 20 0 BHADRO CC[C@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000536838327 323663180 /nfs/dbraw/zinc/66/31/80/323663180.db2.gz JIXJDVZGMGECKD-INIZCTEOSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000536838332 323663006 /nfs/dbraw/zinc/66/30/06/323663006.db2.gz JIXJDVZGMGECKD-MRXNPFEDSA-N 1 0 243.394 3.788 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H](CC)C1CC1)OC ZINC000536838417 387521440 /nfs/dbraw/zinc/52/14/40/387521440.db2.gz INVFZTALGUBRAL-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H](CC)C1CC1)OC ZINC000536838426 323663190 /nfs/dbraw/zinc/66/31/90/323663190.db2.gz INVFZTALGUBRAL-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H](CC)C1CC1)OC ZINC000536838428 323663348 /nfs/dbraw/zinc/66/33/48/323663348.db2.gz INVFZTALGUBRAL-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H](CC)C1CC1)OC ZINC000536838429 323663338 /nfs/dbraw/zinc/66/33/38/323663338.db2.gz INVFZTALGUBRAL-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000536840531 398167861 /nfs/dbraw/zinc/16/78/61/398167861.db2.gz RZMRROMBAZZSHD-BBRMVZONSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000536840554 323663266 /nfs/dbraw/zinc/66/32/66/323663266.db2.gz RZMRROMBAZZSHD-CJNGLKHVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000536840559 323663024 /nfs/dbraw/zinc/66/30/24/323663024.db2.gz RZMRROMBAZZSHD-CZUORRHYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000536840563 398167800 /nfs/dbraw/zinc/16/78/00/398167800.db2.gz RZMRROMBAZZSHD-XJKSGUPXSA-N 1 0 246.398 3.947 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000536840957 387533961 /nfs/dbraw/zinc/53/39/61/387533961.db2.gz VNDYXILMQCXDOR-DOMZBBRYSA-N 1 0 249.423 3.869 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000536840983 323664116 /nfs/dbraw/zinc/66/41/16/323664116.db2.gz VNDYXILMQCXDOR-IUODEOHRSA-N 1 0 249.423 3.869 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000536840987 387530822 /nfs/dbraw/zinc/53/08/22/387530822.db2.gz VNDYXILMQCXDOR-SWLSCSKDSA-N 1 0 249.423 3.869 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000536840998 323663897 /nfs/dbraw/zinc/66/38/97/323663897.db2.gz VNDYXILMQCXDOR-WFASDCNBSA-N 1 0 249.423 3.869 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1 ZINC000536841522 387531025 /nfs/dbraw/zinc/53/10/25/387531025.db2.gz YBULGXSEADTFEN-CHWSQXEVSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1 ZINC000536841541 323663774 /nfs/dbraw/zinc/66/37/74/323663774.db2.gz YBULGXSEADTFEN-OLZOCXBDSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1 ZINC000536841542 387531336 /nfs/dbraw/zinc/53/13/36/387531336.db2.gz YBULGXSEADTFEN-QWHCGFSZSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1 ZINC000536841543 323664221 /nfs/dbraw/zinc/66/42/21/323664221.db2.gz YBULGXSEADTFEN-STQMWFEESA-N 1 0 235.371 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)C(C)(C)C)c(C)c1 ZINC000536842636 387565040 /nfs/dbraw/zinc/56/50/40/387565040.db2.gz AIHJTHSJYFPAED-GFCCVEGCSA-N 1 0 235.371 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)C)c(C)c1 ZINC000536842654 387566195 /nfs/dbraw/zinc/56/61/95/387566195.db2.gz AIHJTHSJYFPAED-LBPRGKRZSA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C[C@H]1C ZINC000536843627 387567820 /nfs/dbraw/zinc/56/78/20/387567820.db2.gz FQICCJGYUAPXTF-AYRXBEOTSA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C[C@@H]1C ZINC000536843653 387568386 /nfs/dbraw/zinc/56/83/86/387568386.db2.gz FQICCJGYUAPXTF-DDHJSBNISA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C[C@H]1C ZINC000536843658 387569671 /nfs/dbraw/zinc/56/96/71/387569671.db2.gz FQICCJGYUAPXTF-OSRDXIQISA-N 1 0 249.402 3.521 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C[C@@H]1C ZINC000536843662 387569417 /nfs/dbraw/zinc/56/94/17/387569417.db2.gz FQICCJGYUAPXTF-VIRABCJISA-N 1 0 249.402 3.521 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)cc1C ZINC000536844698 323666980 /nfs/dbraw/zinc/66/69/80/323666980.db2.gz IXHUYTGETUVVNP-BBRMVZONSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)cc1C ZINC000536844722 387569377 /nfs/dbraw/zinc/56/93/77/387569377.db2.gz IXHUYTGETUVVNP-CJNGLKHVSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)cc1C ZINC000536844724 387569997 /nfs/dbraw/zinc/56/99/97/387569997.db2.gz IXHUYTGETUVVNP-CZUORRHYSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)cc1C ZINC000536844727 323666932 /nfs/dbraw/zinc/66/69/32/323666932.db2.gz IXHUYTGETUVVNP-XJKSGUPXSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1cccc(C)c1CC[NH2+]C(C1CC1)C1CC1 ZINC000536844753 387569103 /nfs/dbraw/zinc/56/91/03/387569103.db2.gz ICWSCYLYTZQOAR-UHFFFAOYSA-N 1 0 243.394 3.624 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000536845302 387573146 /nfs/dbraw/zinc/57/31/46/387573146.db2.gz LGSIHZYKPHVICR-AAEUAGOBSA-N 1 0 239.309 3.915 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000536845330 387573589 /nfs/dbraw/zinc/57/35/89/387573589.db2.gz LGSIHZYKPHVICR-DGCLKSJQSA-N 1 0 239.309 3.915 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000536845332 387573042 /nfs/dbraw/zinc/57/30/42/387573042.db2.gz LGSIHZYKPHVICR-WCQYABFASA-N 1 0 239.309 3.915 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000536845334 323667019 /nfs/dbraw/zinc/66/70/19/323667019.db2.gz LGSIHZYKPHVICR-YPMHNXCESA-N 1 0 239.309 3.915 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536845593 387571025 /nfs/dbraw/zinc/57/10/25/387571025.db2.gz MDDRPFIHPGMSQS-FPMFFAJLSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536845597 387571512 /nfs/dbraw/zinc/57/15/12/387571512.db2.gz MDDRPFIHPGMSQS-IACUBPJLSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536845599 387571880 /nfs/dbraw/zinc/57/18/80/387571880.db2.gz MDDRPFIHPGMSQS-UBHSHLNASA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536845601 387571387 /nfs/dbraw/zinc/57/13/87/387571387.db2.gz MDDRPFIHPGMSQS-YUTCNCBUSA-N 1 0 249.402 3.592 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536845732 387575009 /nfs/dbraw/zinc/57/50/09/387575009.db2.gz OAMYPWPSCQKBCK-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536845748 323667013 /nfs/dbraw/zinc/66/70/13/323667013.db2.gz OAMYPWPSCQKBCK-QNWHQSFQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536845749 323667024 /nfs/dbraw/zinc/66/70/24/323667024.db2.gz OAMYPWPSCQKBCK-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536845750 387575447 /nfs/dbraw/zinc/57/54/47/387575447.db2.gz OAMYPWPSCQKBCK-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H](C)C1(C)CC1 ZINC000536845953 387577044 /nfs/dbraw/zinc/57/70/44/387577044.db2.gz MWYZWRJHMZVFPV-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H](C)C1(C)CC1 ZINC000536845976 387577574 /nfs/dbraw/zinc/57/75/74/387577574.db2.gz MWYZWRJHMZVFPV-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)C2CCCC2)c(C)c1 ZINC000536846649 490222284 /nfs/dbraw/zinc/22/22/84/490222284.db2.gz PSFYWTNJEBBKDY-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)c(C)c1 ZINC000536846653 490222336 /nfs/dbraw/zinc/22/23/36/490222336.db2.gz PSFYWTNJEBBKDY-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(OC)cc1C)C(C)C ZINC000536847224 323667953 /nfs/dbraw/zinc/66/79/53/323667953.db2.gz UFURSWSATPONAF-HNNXBMFYSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1C)C(C)C ZINC000536847240 387577395 /nfs/dbraw/zinc/57/73/95/387577395.db2.gz UFURSWSATPONAF-OAHLLOKOSA-N 1 0 235.371 3.528 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CC12CCC(CC1)C2 ZINC000536848815 387578668 /nfs/dbraw/zinc/57/86/68/387578668.db2.gz ZUVPGJRBUCVZFQ-DNOWBOINSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CC12CCC(CC1)C2 ZINC000536848824 387579502 /nfs/dbraw/zinc/57/95/02/387579502.db2.gz ZUVPGJRBUCVZFQ-OPFPJEHXSA-N 1 0 249.423 3.849 20 0 BHADRO CCOc1cccc(CC[NH2+][C@H](C)C(C)(C)C)c1 ZINC000536849303 323668387 /nfs/dbraw/zinc/66/83/87/323668387.db2.gz BQSSLYQAFYUVBT-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000536849318 387578609 /nfs/dbraw/zinc/57/86/09/387578609.db2.gz BQSSLYQAFYUVBT-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO CCCOc1cccc(CC[NH2+][C@@H](C)C(C)C)c1 ZINC000536850109 387580535 /nfs/dbraw/zinc/58/05/35/387580535.db2.gz GAMXZLLXBNJAJF-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO CCCOc1cccc(CC[NH2+][C@H](C)C(C)C)c1 ZINC000536850113 323669729 /nfs/dbraw/zinc/66/97/29/323669729.db2.gz GAMXZLLXBNJAJF-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@@H](CC)C(C)C)c1 ZINC000536850358 387580948 /nfs/dbraw/zinc/58/09/48/387580948.db2.gz HCYNDRLQWJHZMC-INIZCTEOSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@H](CC)C(C)C)c1 ZINC000536850369 387580362 /nfs/dbraw/zinc/58/03/62/387580362.db2.gz HCYNDRLQWJHZMC-MRXNPFEDSA-N 1 0 249.398 3.652 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536851879 387580817 /nfs/dbraw/zinc/58/08/17/387580817.db2.gz LBAHONCSNKVRJI-AGIUHOORSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536851882 387580914 /nfs/dbraw/zinc/58/09/14/387580914.db2.gz LBAHONCSNKVRJI-AVGNSLFASA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536851884 323670099 /nfs/dbraw/zinc/67/00/99/323670099.db2.gz LBAHONCSNKVRJI-FRRDWIJNSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536851885 387580622 /nfs/dbraw/zinc/58/06/22/387580622.db2.gz LBAHONCSNKVRJI-RWMBFGLXSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000536853672 387580650 /nfs/dbraw/zinc/58/06/50/387580650.db2.gz URUMITPYZDYMJJ-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000536853683 387581556 /nfs/dbraw/zinc/58/15/56/387581556.db2.gz URUMITPYZDYMJJ-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000536855878 323671310 /nfs/dbraw/zinc/67/13/10/323671310.db2.gz BYNOJQCVBNTSMS-HZMBPMFUSA-N 1 0 249.304 3.650 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC1CC1 ZINC000536855897 387583500 /nfs/dbraw/zinc/58/35/00/387583500.db2.gz COMOLYUEKUMLLP-BLLLJJGKSA-N 1 0 229.367 3.700 20 0 BHADRO Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000536855909 323671221 /nfs/dbraw/zinc/67/12/21/323671221.db2.gz BYNOJQCVBNTSMS-IINYFYTJSA-N 1 0 249.304 3.650 20 0 BHADRO Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000536855912 387582686 /nfs/dbraw/zinc/58/26/86/387582686.db2.gz BYNOJQCVBNTSMS-QMTHXVAHSA-N 1 0 249.304 3.650 20 0 BHADRO Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000536855913 387582907 /nfs/dbraw/zinc/58/29/07/387582907.db2.gz BYNOJQCVBNTSMS-YGRLFVJLSA-N 1 0 249.304 3.650 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCC1CC1 ZINC000536855915 323670615 /nfs/dbraw/zinc/67/06/15/323670615.db2.gz COMOLYUEKUMLLP-LRDDRELGSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC1CC1 ZINC000536855916 387582253 /nfs/dbraw/zinc/58/22/53/387582253.db2.gz COMOLYUEKUMLLP-MLGOLLRUSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC1CC1 ZINC000536855917 323671205 /nfs/dbraw/zinc/67/12/05/323671205.db2.gz COMOLYUEKUMLLP-WBMJQRKESA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]([NH2+]CC1Cc2ccccc2C1)C1CCCC1 ZINC000536856560 323671275 /nfs/dbraw/zinc/67/12/75/323671275.db2.gz GHYAGIAOKWBMNH-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]CC1Cc2ccccc2C1)C1CCCC1 ZINC000536856591 387583046 /nfs/dbraw/zinc/58/30/46/387583046.db2.gz GHYAGIAOKWBMNH-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)C1CC1 ZINC000536861473 323671952 /nfs/dbraw/zinc/67/19/52/323671952.db2.gz DBHMMZPOFMQSSC-KNXALSJPSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CC1 ZINC000536861502 323672007 /nfs/dbraw/zinc/67/20/07/323672007.db2.gz DBHMMZPOFMQSSC-RLCCDNCMSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)C1CC1 ZINC000536861503 387584649 /nfs/dbraw/zinc/58/46/49/387584649.db2.gz DBHMMZPOFMQSSC-UVBJJODRSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)C1CC1 ZINC000536861504 387584730 /nfs/dbraw/zinc/58/47/30/387584730.db2.gz DBHMMZPOFMQSSC-XFBWCDHKSA-N 1 0 229.367 3.698 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@H](C)C(C)(C)C ZINC000536863813 487605834 /nfs/dbraw/zinc/60/58/34/487605834.db2.gz LRFHGPLWCAUOSN-CYBMUJFWSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000536863842 487605618 /nfs/dbraw/zinc/60/56/18/487605618.db2.gz LRFHGPLWCAUOSN-ZDUSSCGKSA-N 1 0 249.398 3.652 20 0 BHADRO Cc1ccc(OCC[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000536865210 387584661 /nfs/dbraw/zinc/58/46/61/387584661.db2.gz WKKFSSYGOLTDSF-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCC[NH2+][C@H](C)C2CCCC2)cc1 ZINC000536865220 323671969 /nfs/dbraw/zinc/67/19/69/323671969.db2.gz WKKFSSYGOLTDSF-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CC(C)C1 ZINC000536866885 387600191 /nfs/dbraw/zinc/60/01/91/387600191.db2.gz AUPYKRMAEVDHIN-FTSVBKQBSA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC(C)C1 ZINC000536866905 323673609 /nfs/dbraw/zinc/67/36/09/323673609.db2.gz AUPYKRMAEVDHIN-IONBAEIFSA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC(C)C1 ZINC000536866906 387599827 /nfs/dbraw/zinc/59/98/27/387599827.db2.gz AUPYKRMAEVDHIN-IVYIRIEZSA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CC(C)C1 ZINC000536866908 387600067 /nfs/dbraw/zinc/60/00/67/387600067.db2.gz AUPYKRMAEVDHIN-UOFHRTMOSA-N 1 0 229.367 3.931 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000536866924 387600063 /nfs/dbraw/zinc/60/00/63/387600063.db2.gz AWRPXCNFCFBUGA-FMKPAKJESA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000536866937 387600728 /nfs/dbraw/zinc/60/07/28/387600728.db2.gz AWRPXCNFCFBUGA-IIAWOOMASA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)Oc1ccccc1 ZINC000536866938 387600647 /nfs/dbraw/zinc/60/06/47/387600647.db2.gz AWRPXCNFCFBUGA-LZWOXQAQSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)Oc1ccccc1 ZINC000536866940 387599595 /nfs/dbraw/zinc/59/95/95/387599595.db2.gz AWRPXCNFCFBUGA-SQWLQELKSA-N 1 0 247.382 3.622 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000536867474 387599346 /nfs/dbraw/zinc/59/93/46/387599346.db2.gz DIPZWXKOYQQBLX-CABCVRRESA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000536867523 387603035 /nfs/dbraw/zinc/60/30/35/387603035.db2.gz DIPZWXKOYQQBLX-GJZGRUSLSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000536867525 387604050 /nfs/dbraw/zinc/60/40/50/387604050.db2.gz DIPZWXKOYQQBLX-HUUCEWRRSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000536867529 387604268 /nfs/dbraw/zinc/60/42/68/387604268.db2.gz DIPZWXKOYQQBLX-LSDHHAIUSA-N 1 0 247.357 3.852 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000536867556 323673981 /nfs/dbraw/zinc/67/39/81/323673981.db2.gz DMDIQRVLPYURIS-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000536867581 323673932 /nfs/dbraw/zinc/67/39/32/323673932.db2.gz DMDIQRVLPYURIS-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000536867582 387617376 /nfs/dbraw/zinc/61/73/76/387617376.db2.gz DMDIQRVLPYURIS-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000536867584 323673879 /nfs/dbraw/zinc/67/38/79/323673879.db2.gz DMDIQRVLPYURIS-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(C)cc2)o1 ZINC000536868270 387632923 /nfs/dbraw/zinc/63/29/23/387632923.db2.gz FKBNADWAIWXLKE-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(C)cc2)o1 ZINC000536868329 323674398 /nfs/dbraw/zinc/67/43/98/323674398.db2.gz FKBNADWAIWXLKE-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)C1CC1 ZINC000536869793 323674577 /nfs/dbraw/zinc/67/45/77/323674577.db2.gz MXJRNRQJUBGBBV-CVEARBPZSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)C1CC1 ZINC000536869798 387636602 /nfs/dbraw/zinc/63/66/02/387636602.db2.gz MXJRNRQJUBGBBV-HOTGVXAUSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)C1CC1 ZINC000536869799 387636993 /nfs/dbraw/zinc/63/69/93/387636993.db2.gz MXJRNRQJUBGBBV-HZPDHXFCSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)C1CC1 ZINC000536869800 323674571 /nfs/dbraw/zinc/67/45/71/323674571.db2.gz MXJRNRQJUBGBBV-JKSUJKDBSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]([NH2+][C@H]1COc2c1ccc(C)c2C)C1CC1 ZINC000536871396 323674770 /nfs/dbraw/zinc/67/47/70/323674770.db2.gz PLDYTWHNXSIDLO-CABCVRRESA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@H]([NH2+][C@H]1COc2c1ccc(C)c2C)C1CC1 ZINC000536871427 387638868 /nfs/dbraw/zinc/63/88/68/387638868.db2.gz PLDYTWHNXSIDLO-GJZGRUSLSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)C1CC1 ZINC000536871428 323674922 /nfs/dbraw/zinc/67/49/22/323674922.db2.gz PLDYTWHNXSIDLO-HUUCEWRRSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)C1CC1 ZINC000536871429 387640226 /nfs/dbraw/zinc/64/02/26/387640226.db2.gz PLDYTWHNXSIDLO-LSDHHAIUSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@H]([NH2+]CCc1cc2ccccc2o1)C(C)C ZINC000536871491 323674947 /nfs/dbraw/zinc/67/49/47/323674947.db2.gz VJJXTGWKBFNIOH-HNNXBMFYSA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc2ccccc2o1)C(C)C ZINC000536871501 323674953 /nfs/dbraw/zinc/67/49/53/323674953.db2.gz VJJXTGWKBFNIOH-OAHLLOKOSA-N 1 0 245.366 4.000 20 0 BHADRO CC1(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000536871792 387644597 /nfs/dbraw/zinc/64/45/97/387644597.db2.gz TUJVQELAGWYMOO-AWEZNQCLSA-N 1 0 229.367 3.799 20 0 BHADRO CC1(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000536871808 387644852 /nfs/dbraw/zinc/64/48/52/387644852.db2.gz TUJVQELAGWYMOO-CQSZACIVSA-N 1 0 229.367 3.799 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000536871933 323675451 /nfs/dbraw/zinc/67/54/51/323675451.db2.gz WCHFWQMXHZXILE-CVEARBPZSA-N 1 0 229.367 3.773 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000536871949 323675506 /nfs/dbraw/zinc/67/55/06/323675506.db2.gz WCHFWQMXHZXILE-HOTGVXAUSA-N 1 0 229.367 3.773 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000536871951 323675546 /nfs/dbraw/zinc/67/55/46/323675546.db2.gz WCHFWQMXHZXILE-HZPDHXFCSA-N 1 0 229.367 3.773 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000536871954 323675600 /nfs/dbraw/zinc/67/56/00/323675600.db2.gz WCHFWQMXHZXILE-JKSUJKDBSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)C(C)(C)C ZINC000536872282 323675495 /nfs/dbraw/zinc/67/54/95/323675495.db2.gz YPRHLOWDMIZJBR-GFCCVEGCSA-N 1 0 245.366 4.000 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2o1)C(C)(C)C ZINC000536872289 323675512 /nfs/dbraw/zinc/67/55/12/323675512.db2.gz YPRHLOWDMIZJBR-LBPRGKRZSA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000536873746 323751770 /nfs/dbraw/zinc/75/17/70/323751770.db2.gz AQIDMZOLOCBUMR-DARAHFNDSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000536873760 387837669 /nfs/dbraw/zinc/83/76/69/387837669.db2.gz AQIDMZOLOCBUMR-SDADXPQNSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000536873761 323751481 /nfs/dbraw/zinc/75/14/81/323751481.db2.gz AQIDMZOLOCBUMR-UGQVUOCMSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000536873762 323751622 /nfs/dbraw/zinc/75/16/22/323751622.db2.gz AQIDMZOLOCBUMR-WMHQRMGPSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1ccoc1 ZINC000536874641 323766283 /nfs/dbraw/zinc/76/62/83/323766283.db2.gz DOIWTWAFOODCMQ-CQDKDKBSSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccoc1 ZINC000536874642 387848427 /nfs/dbraw/zinc/84/84/27/387848427.db2.gz DOIWTWAFOODCMQ-GLQYFDAESA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1ccoc1 ZINC000536874644 387848017 /nfs/dbraw/zinc/84/80/17/387848017.db2.gz DOIWTWAFOODCMQ-NILFDRSVSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1ccoc1 ZINC000536874646 387848409 /nfs/dbraw/zinc/84/84/09/387848409.db2.gz DOIWTWAFOODCMQ-TUKIKUTGSA-N 1 0 233.355 3.899 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(C)CC1 ZINC000536875477 387859911 /nfs/dbraw/zinc/85/99/11/387859911.db2.gz ILTOEOTWXKCPHP-HNNXBMFYSA-N 1 0 231.383 3.706 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(C)CC1 ZINC000536875674 323769328 /nfs/dbraw/zinc/76/93/28/323769328.db2.gz ILTOEOTWXKCPHP-OAHLLOKOSA-N 1 0 231.383 3.706 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(C)ccc1OC ZINC000536875897 323769573 /nfs/dbraw/zinc/76/95/73/323769573.db2.gz IQROODXGPFWYLH-GUTXKFCHSA-N 1 0 247.382 3.700 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(C)ccc1OC ZINC000536875913 387855593 /nfs/dbraw/zinc/85/55/93/387855593.db2.gz IQROODXGPFWYLH-IPYPFGDCSA-N 1 0 247.382 3.700 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(C)ccc1OC ZINC000536875916 387855895 /nfs/dbraw/zinc/85/58/95/387855895.db2.gz IQROODXGPFWYLH-NFAWXSAZSA-N 1 0 247.382 3.700 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(C)ccc1OC ZINC000536875920 387855284 /nfs/dbraw/zinc/85/52/84/387855284.db2.gz IQROODXGPFWYLH-YDHLFZDLSA-N 1 0 247.382 3.700 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccsc2)cc1 ZINC000536877096 387861164 /nfs/dbraw/zinc/86/11/64/387861164.db2.gz NBPNJYHLTGNNIF-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000536877130 323771052 /nfs/dbraw/zinc/77/10/52/323771052.db2.gz NBPNJYHLTGNNIF-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000536878762 387871469 /nfs/dbraw/zinc/87/14/69/387871469.db2.gz VFPCIOAKWZIWHW-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000536878763 387870552 /nfs/dbraw/zinc/87/05/52/387870552.db2.gz VFPCIOAKWZIWHW-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000536878764 387871051 /nfs/dbraw/zinc/87/10/51/387871051.db2.gz VFPCIOAKWZIWHW-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000536878766 387871097 /nfs/dbraw/zinc/87/10/97/387871097.db2.gz VFPCIOAKWZIWHW-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]CC1(C)CC1 ZINC000536879275 387878444 /nfs/dbraw/zinc/87/84/44/387878444.db2.gz UEMDWXCCMFDSTK-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]CC1(C)CC1 ZINC000536879299 323782021 /nfs/dbraw/zinc/78/20/21/323782021.db2.gz UEMDWXCCMFDSTK-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@@H](C)C1CCCC1 ZINC000536879361 323793204 /nfs/dbraw/zinc/79/32/04/323793204.db2.gz YWIJEXMGRMJKCX-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCC[NH2+][C@H](C)C1CCCC1 ZINC000536879385 323793186 /nfs/dbraw/zinc/79/31/86/323793186.db2.gz YWIJEXMGRMJKCX-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccoc1 ZINC000536879826 323793599 /nfs/dbraw/zinc/79/35/99/323793599.db2.gz XGZVCBICHNHBLE-APHBMKBZSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccoc1 ZINC000536879831 387889079 /nfs/dbraw/zinc/88/90/79/387889079.db2.gz XGZVCBICHNHBLE-MAZHCROVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccoc1 ZINC000536879832 387888822 /nfs/dbraw/zinc/88/88/22/387888822.db2.gz XGZVCBICHNHBLE-RCBQFDQVSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccoc1 ZINC000536879833 387889094 /nfs/dbraw/zinc/88/90/94/387889094.db2.gz XGZVCBICHNHBLE-VBNZEHGJSA-N 1 0 241.334 3.561 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C)cc1 ZINC000536886695 388081136 /nfs/dbraw/zinc/08/11/36/388081136.db2.gz RWZVWIRMQNZFMG-AWEZNQCLSA-N 1 0 237.412 3.568 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C)cc1 ZINC000536886713 388081327 /nfs/dbraw/zinc/08/13/27/388081327.db2.gz RWZVWIRMQNZFMG-CQSZACIVSA-N 1 0 237.412 3.568 20 0 BHADRO CC[C@H](CSC)[N@H+](C)CCC1CCCC1 ZINC000536886825 388081619 /nfs/dbraw/zinc/08/16/19/388081619.db2.gz TYRNZXRMUDRSSA-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)CCC1CCCC1 ZINC000536886842 388081755 /nfs/dbraw/zinc/08/17/55/388081755.db2.gz TYRNZXRMUDRSSA-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](CSC)[N@H+](C)C/C=C/c1ccccc1 ZINC000536887043 388081747 /nfs/dbraw/zinc/08/17/47/388081747.db2.gz UZEWUMBDTLETIF-KUCQQTCKSA-N 1 0 249.423 3.773 20 0 BHADRO CC[C@H](CSC)[N@H+](C)C/C=C\c1ccccc1 ZINC000536887057 388081101 /nfs/dbraw/zinc/08/11/01/388081101.db2.gz UZEWUMBDTLETIF-MEODZPNASA-N 1 0 249.423 3.773 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)C/C=C\c1ccccc1 ZINC000536887059 388081674 /nfs/dbraw/zinc/08/16/74/388081674.db2.gz UZEWUMBDTLETIF-QIENPNARSA-N 1 0 249.423 3.773 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)C/C=C/c1ccccc1 ZINC000536887060 388081362 /nfs/dbraw/zinc/08/13/62/388081362.db2.gz UZEWUMBDTLETIF-SHQCLWGWSA-N 1 0 249.423 3.773 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2c(C)cccc2C)o1 ZINC000536904101 388081901 /nfs/dbraw/zinc/08/19/01/388081901.db2.gz GQCGUOCZZAYZGO-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO CCC1(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000536907418 411259693 /nfs/dbraw/zinc/25/96/93/411259693.db2.gz AEVOQIKIGUEJSN-DOMZBBRYSA-N 1 0 229.367 3.700 20 0 BHADRO CCC1(C[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000536907451 323896679 /nfs/dbraw/zinc/89/66/79/323896679.db2.gz AEVOQIKIGUEJSN-IUODEOHRSA-N 1 0 229.367 3.700 20 0 BHADRO CCC1(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000536907453 323896276 /nfs/dbraw/zinc/89/62/76/323896276.db2.gz AEVOQIKIGUEJSN-SWLSCSKDSA-N 1 0 229.367 3.700 20 0 BHADRO CCC1(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000536907455 323896563 /nfs/dbraw/zinc/89/65/63/323896563.db2.gz AEVOQIKIGUEJSN-WFASDCNBSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000536909522 323896071 /nfs/dbraw/zinc/89/60/71/323896071.db2.gz LICGJCUMCLSXLM-HOSYDEDBSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000536909541 411259535 /nfs/dbraw/zinc/25/95/35/411259535.db2.gz LICGJCUMCLSXLM-UMNHJUIQSA-N 1 0 239.309 3.804 20 0 BHADRO CSc1ccccc1-c1cccc(CC[NH3+])c1 ZINC000536950601 387162283 /nfs/dbraw/zinc/16/22/83/387162283.db2.gz UYLXRRHWQSYGTP-UHFFFAOYSA-N 1 0 243.375 3.577 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCCCC1)c1cccnc1 ZINC000536962343 387130892 /nfs/dbraw/zinc/13/08/92/387130892.db2.gz LYPRTNYDIKMGSM-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCCCC1)c1cccnc1 ZINC000536962344 387131607 /nfs/dbraw/zinc/13/16/07/387131607.db2.gz LYPRTNYDIKMGSM-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000537012798 387143416 /nfs/dbraw/zinc/14/34/16/387143416.db2.gz HNSOINFBGOIGAR-CHWSQXEVSA-N 1 0 234.387 3.873 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000537012799 323932252 /nfs/dbraw/zinc/93/22/52/323932252.db2.gz HNSOINFBGOIGAR-OLZOCXBDSA-N 1 0 234.387 3.873 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000537012800 387143168 /nfs/dbraw/zinc/14/31/68/387143168.db2.gz HNSOINFBGOIGAR-QWHCGFSZSA-N 1 0 234.387 3.873 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000537012801 323932149 /nfs/dbraw/zinc/93/21/49/323932149.db2.gz HNSOINFBGOIGAR-STQMWFEESA-N 1 0 234.387 3.873 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2sccc2C)o1 ZINC000537014827 387145697 /nfs/dbraw/zinc/14/56/97/387145697.db2.gz CLZNJOQOVIJKPM-GFCCVEGCSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2sccc2C)o1 ZINC000537014828 387147206 /nfs/dbraw/zinc/14/72/06/387147206.db2.gz CLZNJOQOVIJKPM-LBPRGKRZSA-N 1 0 249.379 3.851 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000537015252 387146187 /nfs/dbraw/zinc/14/61/87/387146187.db2.gz QYCBDUOADLKIPA-CHWSQXEVSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000537015253 323936519 /nfs/dbraw/zinc/93/65/19/323936519.db2.gz QYCBDUOADLKIPA-OLZOCXBDSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000537015254 323936637 /nfs/dbraw/zinc/93/66/37/323936637.db2.gz QYCBDUOADLKIPA-QWHCGFSZSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000537015255 387147070 /nfs/dbraw/zinc/14/70/70/387147070.db2.gz QYCBDUOADLKIPA-STQMWFEESA-N 1 0 234.387 3.729 20 0 BHADRO Cc1cc([C@H]([NH2+]C[C@H]2C[C@@H]2C)C2CC2)ccc1F ZINC000537016673 323936093 /nfs/dbraw/zinc/93/60/93/323936093.db2.gz RLXUIAWKVDUXEY-DRZCJDIDSA-N 1 0 247.357 3.831 20 0 BHADRO Cc1cc([C@H]([NH2+]C[C@@H]2C[C@H]2C)C2CC2)ccc1F ZINC000537016674 387146906 /nfs/dbraw/zinc/14/69/06/387146906.db2.gz RLXUIAWKVDUXEY-FUEDEBDSSA-N 1 0 247.357 3.831 20 0 BHADRO Cc1cc([C@H]([NH2+]C[C@@H]2C[C@@H]2C)C2CC2)ccc1F ZINC000537016675 387147135 /nfs/dbraw/zinc/14/71/35/387147135.db2.gz RLXUIAWKVDUXEY-JMPLFQLZSA-N 1 0 247.357 3.831 20 0 BHADRO Cc1cc([C@H]([NH2+]C[C@H]2C[C@H]2C)C2CC2)ccc1F ZINC000537016676 323935584 /nfs/dbraw/zinc/93/55/84/323935584.db2.gz RLXUIAWKVDUXEY-QSGSBWRWSA-N 1 0 247.357 3.831 20 0 BHADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000537024384 387178121 /nfs/dbraw/zinc/17/81/21/387178121.db2.gz JOYSRIPJUHSVRS-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCC1CC1 ZINC000537024385 387177975 /nfs/dbraw/zinc/17/79/75/387177975.db2.gz JOYSRIPJUHSVRS-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO COCC[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000537039978 323998799 /nfs/dbraw/zinc/99/87/99/323998799.db2.gz YLZVDZNIOJPINN-INIZCTEOSA-N 1 0 249.398 3.743 20 0 BHADRO COCC[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000537039979 323998533 /nfs/dbraw/zinc/99/85/33/323998533.db2.gz YLZVDZNIOJPINN-MRXNPFEDSA-N 1 0 249.398 3.743 20 0 BHADRO CCOCC[NH2+][C@H](c1ccccc1)C(CC)CC ZINC000537052965 324002228 /nfs/dbraw/zinc/00/22/28/324002228.db2.gz XUESGILMORBOSU-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCC[NH2+][C@@H](c1ccccc1)C(CC)CC ZINC000537052966 324002512 /nfs/dbraw/zinc/00/25/12/324002512.db2.gz XUESGILMORBOSU-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO COc1ccc(C2([NH2+]CCC(C)(C)C)CC2)cc1 ZINC000537058135 324002237 /nfs/dbraw/zinc/00/22/37/324002237.db2.gz LVZYQGHJGGSXRU-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000537075926 324002302 /nfs/dbraw/zinc/00/23/02/324002302.db2.gz KQCBZTRAERCHGC-CYBMUJFWSA-N 1 0 235.371 3.926 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000537075927 324002117 /nfs/dbraw/zinc/00/21/17/324002117.db2.gz KQCBZTRAERCHGC-ZDUSSCGKSA-N 1 0 235.371 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000537079234 324006431 /nfs/dbraw/zinc/00/64/31/324006431.db2.gz JIWRHTMJRWUCNF-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000537079235 324006587 /nfs/dbraw/zinc/00/65/87/324006587.db2.gz JIWRHTMJRWUCNF-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000537079236 324006735 /nfs/dbraw/zinc/00/67/35/324006735.db2.gz JIWRHTMJRWUCNF-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000537079237 324006387 /nfs/dbraw/zinc/00/63/87/324006387.db2.gz JIWRHTMJRWUCNF-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CCOCC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000537089376 324006606 /nfs/dbraw/zinc/00/66/06/324006606.db2.gz ASKQYMXHKOQBHK-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000537089377 324006707 /nfs/dbraw/zinc/00/67/07/324006707.db2.gz ASKQYMXHKOQBHK-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000537095975 324007531 /nfs/dbraw/zinc/00/75/31/324007531.db2.gz AGPUUTWHBYCRSZ-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000537095976 324007745 /nfs/dbraw/zinc/00/77/45/324007745.db2.gz AGPUUTWHBYCRSZ-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000537095977 324007633 /nfs/dbraw/zinc/00/76/33/324007633.db2.gz AGPUUTWHBYCRSZ-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000537095978 324007752 /nfs/dbraw/zinc/00/77/52/324007752.db2.gz AGPUUTWHBYCRSZ-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000537097694 324007983 /nfs/dbraw/zinc/00/79/83/324007983.db2.gz ZHZCCLMBDIYGKJ-CXAGYDPISA-N 1 0 243.394 3.669 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCc2ccccc21)C1CC1 ZINC000537097695 324007357 /nfs/dbraw/zinc/00/73/57/324007357.db2.gz ZHZCCLMBDIYGKJ-DYVFJYSZSA-N 1 0 243.394 3.669 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCc2ccccc21)C1CC1 ZINC000537097696 324008088 /nfs/dbraw/zinc/00/80/88/324008088.db2.gz ZHZCCLMBDIYGKJ-GUYCJALGSA-N 1 0 243.394 3.669 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000537097697 324008020 /nfs/dbraw/zinc/00/80/20/324008020.db2.gz ZHZCCLMBDIYGKJ-SUMWQHHRSA-N 1 0 243.394 3.669 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2ccccc2)cc1 ZINC000537100845 324008306 /nfs/dbraw/zinc/00/83/06/324008306.db2.gz LZJYPRSXQKCUNB-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO CC(C)(C)c1ccc(C(C)(C)[NH2+]CCF)cc1 ZINC000537105530 324011039 /nfs/dbraw/zinc/01/10/39/324011039.db2.gz KIRLOTGJXSGDIB-UHFFFAOYSA-N 1 0 237.362 3.778 20 0 BHADRO FCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000537124192 324013558 /nfs/dbraw/zinc/01/35/58/324013558.db2.gz FEEHEESHQQWYTK-AWEZNQCLSA-N 1 0 239.309 3.616 20 0 BHADRO FCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000537124193 324013578 /nfs/dbraw/zinc/01/35/78/324013578.db2.gz FEEHEESHQQWYTK-CQSZACIVSA-N 1 0 239.309 3.616 20 0 BHADRO CC(C)=CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000537133599 324014686 /nfs/dbraw/zinc/01/46/86/324014686.db2.gz HKALGELTEYNVAA-UHFFFAOYSA-N 1 0 239.309 3.756 20 0 BHADRO CC(C)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000537136306 324016501 /nfs/dbraw/zinc/01/65/01/324016501.db2.gz XSZWKELFJXSSSS-UHFFFAOYSA-N 1 0 241.325 3.836 20 0 BHADRO CC(C)COc1cccc(C[N@H+](C)CC2CC2)c1 ZINC000537164306 360167945 /nfs/dbraw/zinc/16/79/45/360167945.db2.gz RGQQEQMOCWLIHY-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[C@@H](C[N@H+](C)CCCOC)c1ccccc1 ZINC000537165067 324025300 /nfs/dbraw/zinc/02/53/00/324025300.db2.gz FDJKFVJXAZCESG-INIZCTEOSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@H](C[N@H+](C)CCCOC)c1ccccc1 ZINC000537165068 324025243 /nfs/dbraw/zinc/02/52/43/324025243.db2.gz FDJKFVJXAZCESG-MRXNPFEDSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000537179645 324027001 /nfs/dbraw/zinc/02/70/01/324027001.db2.gz XZZWFHGQRQECKL-DZGCQCFKSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000537179646 324026875 /nfs/dbraw/zinc/02/68/75/324026875.db2.gz XZZWFHGQRQECKL-HIFRSBDPSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000537179647 324027441 /nfs/dbraw/zinc/02/74/41/324027441.db2.gz XZZWFHGQRQECKL-UKRRQHHQSA-N 1 0 247.382 3.673 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000537179648 324026855 /nfs/dbraw/zinc/02/68/55/324026855.db2.gz XZZWFHGQRQECKL-ZFWWWQNUSA-N 1 0 247.382 3.673 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000537199436 324030794 /nfs/dbraw/zinc/03/07/94/324030794.db2.gz QTAVNPUTEAYCGF-CYBMUJFWSA-N 1 0 223.747 3.570 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000537199437 324031351 /nfs/dbraw/zinc/03/13/51/324031351.db2.gz QTAVNPUTEAYCGF-ZDUSSCGKSA-N 1 0 223.747 3.570 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CC[C@H]1C(C)C ZINC000537199836 324030658 /nfs/dbraw/zinc/03/06/58/324030658.db2.gz NNOMIFPTZJCGSG-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CC[C@@H]1C(C)C ZINC000537199837 324030707 /nfs/dbraw/zinc/03/07/07/324030707.db2.gz NNOMIFPTZJCGSG-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000537200092 324031292 /nfs/dbraw/zinc/03/12/92/324031292.db2.gz BXESWUJTXPSWJI-JTQLQIEISA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000537200093 324030678 /nfs/dbraw/zinc/03/06/78/324030678.db2.gz BXESWUJTXPSWJI-SNVBAGLBSA-N 1 0 229.776 3.632 20 0 BHADRO CCC[N@H+](C[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000537200273 324030700 /nfs/dbraw/zinc/03/07/00/324030700.db2.gz JDFSACSAZSDWOO-CYBMUJFWSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[N@H+](C[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000537200274 324031190 /nfs/dbraw/zinc/03/11/90/324031190.db2.gz JDFSACSAZSDWOO-ZDUSSCGKSA-N 1 0 247.382 3.673 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC000537200316 324031115 /nfs/dbraw/zinc/03/11/15/324031115.db2.gz LIILUHWCKWAQQD-CYBMUJFWSA-N 1 0 223.747 3.570 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC000537200317 324030764 /nfs/dbraw/zinc/03/07/64/324030764.db2.gz LIILUHWCKWAQQD-ZDUSSCGKSA-N 1 0 223.747 3.570 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000537200628 324030624 /nfs/dbraw/zinc/03/06/24/324030624.db2.gz YBJUONXDFJSJMD-CYBMUJFWSA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000537200629 324031328 /nfs/dbraw/zinc/03/13/28/324031328.db2.gz YBJUONXDFJSJMD-ZDUSSCGKSA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H]2C(C)C)cc1 ZINC000537202590 324034312 /nfs/dbraw/zinc/03/43/12/324034312.db2.gz RQOQBBSUJZKIRD-INIZCTEOSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)cc1 ZINC000537202591 324033707 /nfs/dbraw/zinc/03/37/07/324033707.db2.gz RQOQBBSUJZKIRD-MRXNPFEDSA-N 1 0 247.382 3.704 20 0 BHADRO C[C@@H](CCc1ccccc1)C[N@H+](C)C1CCC1 ZINC000537202920 324033875 /nfs/dbraw/zinc/03/38/75/324033875.db2.gz DMQAOSZGISBULX-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)C[N@H+](C)C1CCC1 ZINC000537202921 324033862 /nfs/dbraw/zinc/03/38/62/324033862.db2.gz DMQAOSZGISBULX-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000537203111 324033957 /nfs/dbraw/zinc/03/39/57/324033957.db2.gz NMFBKLWORZJXTF-BFHYXJOUSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000537203112 324034146 /nfs/dbraw/zinc/03/41/46/324034146.db2.gz NMFBKLWORZJXTF-MCIONIFRSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000537203113 324034003 /nfs/dbraw/zinc/03/40/03/324034003.db2.gz NMFBKLWORZJXTF-MGPQQGTHSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000537203114 324034231 /nfs/dbraw/zinc/03/42/31/324034231.db2.gz NMFBKLWORZJXTF-MJBXVCDLSA-N 1 0 247.382 3.529 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCc2ccsc2C1 ZINC000537204331 324035059 /nfs/dbraw/zinc/03/50/59/324035059.db2.gz KMIYXPAOPJLNIS-LLVKDONJSA-N 1 0 223.385 3.542 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCc2ccsc2C1 ZINC000537204332 324034873 /nfs/dbraw/zinc/03/48/73/324034873.db2.gz KMIYXPAOPJLNIS-NSHDSACASA-N 1 0 223.385 3.542 20 0 BHADRO COc1ccc([C@H](C)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000537204725 324034681 /nfs/dbraw/zinc/03/46/81/324034681.db2.gz BGYCJJIXXMCDFQ-MCIONIFRSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000537204726 324034727 /nfs/dbraw/zinc/03/47/27/324034727.db2.gz BGYCJJIXXMCDFQ-MELADBBJSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc([C@H](C)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000537204727 324035112 /nfs/dbraw/zinc/03/51/12/324035112.db2.gz BGYCJJIXXMCDFQ-MGPQQGTHSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc([C@H](C)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000537204728 324035108 /nfs/dbraw/zinc/03/51/08/324035108.db2.gz BGYCJJIXXMCDFQ-RDBSUJKOSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000537205345 324035178 /nfs/dbraw/zinc/03/51/78/324035178.db2.gz MCZTVSMTBHQVJX-DZGCQCFKSA-N 1 0 217.356 3.870 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000537205346 324034974 /nfs/dbraw/zinc/03/49/74/324034974.db2.gz MCZTVSMTBHQVJX-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000537205347 324036228 /nfs/dbraw/zinc/03/62/28/324036228.db2.gz MCZTVSMTBHQVJX-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000537205348 324036111 /nfs/dbraw/zinc/03/61/11/324036111.db2.gz MCZTVSMTBHQVJX-ZFWWWQNUSA-N 1 0 217.356 3.870 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000537205827 324035923 /nfs/dbraw/zinc/03/59/23/324035923.db2.gz XVGSTAMTXCZSIV-GDBMZVCRSA-N 1 0 246.398 3.609 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000537205828 324035682 /nfs/dbraw/zinc/03/56/82/324035682.db2.gz XVGSTAMTXCZSIV-GOEBONIOSA-N 1 0 246.398 3.609 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000537205829 324035974 /nfs/dbraw/zinc/03/59/74/324035974.db2.gz XVGSTAMTXCZSIV-HOCLYGCPSA-N 1 0 246.398 3.609 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000537205830 324036040 /nfs/dbraw/zinc/03/60/40/324036040.db2.gz XVGSTAMTXCZSIV-ZBFHGGJFSA-N 1 0 246.398 3.609 20 0 BHADRO CCC[N@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000537205951 324035819 /nfs/dbraw/zinc/03/58/19/324035819.db2.gz HHYXYWKUJALMFE-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000537206073 324036117 /nfs/dbraw/zinc/03/61/17/324036117.db2.gz PDIBGYOJPZFJDI-KBPBESRZSA-N 1 0 249.398 3.775 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000537206074 324036173 /nfs/dbraw/zinc/03/61/73/324036173.db2.gz PDIBGYOJPZFJDI-KGLIPLIRSA-N 1 0 249.398 3.775 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000537206075 324036180 /nfs/dbraw/zinc/03/61/80/324036180.db2.gz PDIBGYOJPZFJDI-UONOGXRCSA-N 1 0 249.398 3.775 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000537206076 324035565 /nfs/dbraw/zinc/03/55/65/324035565.db2.gz PDIBGYOJPZFJDI-ZIAGYGMSSA-N 1 0 249.398 3.775 20 0 BHADRO CCC[C@@H](C[N@H+](C)C1CC1)c1ccccc1 ZINC000537206631 324035578 /nfs/dbraw/zinc/03/55/78/324035578.db2.gz JPVXUDVIPHTFEI-AWEZNQCLSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@H](C[N@H+](C)C1CC1)c1ccccc1 ZINC000537206632 324035837 /nfs/dbraw/zinc/03/58/37/324035837.db2.gz JPVXUDVIPHTFEI-CQSZACIVSA-N 1 0 217.356 3.665 20 0 BHADRO CC(C)[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000537206705 324036097 /nfs/dbraw/zinc/03/60/97/324036097.db2.gz PNWGXGQRMUQPCN-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000537206706 324036103 /nfs/dbraw/zinc/03/61/03/324036103.db2.gz PNWGXGQRMUQPCN-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CCC[C@@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000537206748 324035693 /nfs/dbraw/zinc/03/56/93/324035693.db2.gz TVDGDGIEKGLNRT-HNNXBMFYSA-N 1 0 219.372 3.911 20 0 BHADRO CCC[C@H](C[N@H+](C)C(C)C)c1ccccc1 ZINC000537206749 324035939 /nfs/dbraw/zinc/03/59/39/324035939.db2.gz TVDGDGIEKGLNRT-OAHLLOKOSA-N 1 0 219.372 3.911 20 0 BHADRO CCC[N@H+](CCOC1CCCCCC1)C1CC1 ZINC000537220237 324057269 /nfs/dbraw/zinc/05/72/69/324057269.db2.gz ORCRHFGKIFEFEQ-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]CC(C)(C)C)cc2c1C ZINC000537262062 324063628 /nfs/dbraw/zinc/06/36/28/324063628.db2.gz FYVUHZHTTASOCT-UHFFFAOYSA-N 1 0 244.382 3.920 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1ccc2ccccc2n1 ZINC000537287512 324063085 /nfs/dbraw/zinc/06/30/85/324063085.db2.gz ZXBXXGHOWGUIKM-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1ccc2ccccc2n1 ZINC000537287514 324062579 /nfs/dbraw/zinc/06/25/79/324062579.db2.gz ZXBXXGHOWGUIKM-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000537289463 324063205 /nfs/dbraw/zinc/06/32/05/324063205.db2.gz XAEGNFCLGFKNDA-CVEARBPZSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000537289466 324062877 /nfs/dbraw/zinc/06/28/77/324062877.db2.gz XAEGNFCLGFKNDA-HOTGVXAUSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000537289467 324062718 /nfs/dbraw/zinc/06/27/18/324062718.db2.gz XAEGNFCLGFKNDA-HZPDHXFCSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000537289468 324062810 /nfs/dbraw/zinc/06/28/10/324062810.db2.gz XAEGNFCLGFKNDA-JKSUJKDBSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(CC)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537289492 324062860 /nfs/dbraw/zinc/06/28/60/324062860.db2.gz CZKSUIIUAYEECQ-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CC[NH2+][C@H](C)c1oc2ccc(C)cc2c1CC ZINC000537293739 324062935 /nfs/dbraw/zinc/06/29/35/324062935.db2.gz DQXDZEIZKQIZEO-LLVKDONJSA-N 1 0 231.339 3.974 20 0 BHADRO CC[NH2+][C@@H](C)c1oc2ccc(C)cc2c1CC ZINC000537293740 324063000 /nfs/dbraw/zinc/06/30/00/324063000.db2.gz DQXDZEIZKQIZEO-NSHDSACASA-N 1 0 231.339 3.974 20 0 BHADRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]C(C)C)c1 ZINC000537306158 324064010 /nfs/dbraw/zinc/06/40/10/324064010.db2.gz FJJKBQXPDUKSTH-CVEARBPZSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]C(C)C)c1 ZINC000537306160 324063944 /nfs/dbraw/zinc/06/39/44/324063944.db2.gz FJJKBQXPDUKSTH-HOTGVXAUSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C(C)C)c1 ZINC000537306163 324063684 /nfs/dbraw/zinc/06/36/84/324063684.db2.gz FJJKBQXPDUKSTH-HZPDHXFCSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C(C)C)c1 ZINC000537306165 324063958 /nfs/dbraw/zinc/06/39/58/324063958.db2.gz FJJKBQXPDUKSTH-JKSUJKDBSA-N 1 0 247.382 3.683 20 0 BHADRO CC[C@H](C[NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000537312595 324065008 /nfs/dbraw/zinc/06/50/08/324065008.db2.gz VSCHVEFSRCDNEO-CYBMUJFWSA-N 1 0 229.367 3.712 20 0 BHADRO CC[C@@H](C[NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000537312602 324064478 /nfs/dbraw/zinc/06/44/78/324064478.db2.gz VSCHVEFSRCDNEO-ZDUSSCGKSA-N 1 0 229.367 3.712 20 0 BHADRO CCCC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000537316502 324064775 /nfs/dbraw/zinc/06/47/75/324064775.db2.gz AXYCICJTXVOFJP-CVEARBPZSA-N 1 0 243.394 3.960 20 0 BHADRO CCCC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000537316517 324064700 /nfs/dbraw/zinc/06/47/00/324064700.db2.gz AXYCICJTXVOFJP-HOTGVXAUSA-N 1 0 243.394 3.960 20 0 BHADRO CCCC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000537316518 324064738 /nfs/dbraw/zinc/06/47/38/324064738.db2.gz AXYCICJTXVOFJP-HZPDHXFCSA-N 1 0 243.394 3.960 20 0 BHADRO CCCC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000537316519 324064749 /nfs/dbraw/zinc/06/47/49/324064749.db2.gz AXYCICJTXVOFJP-JKSUJKDBSA-N 1 0 243.394 3.960 20 0 BHADRO CC[C@H](C[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000537327786 324065643 /nfs/dbraw/zinc/06/56/43/324065643.db2.gz VNWKIPVUSBKOES-CYBMUJFWSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[NH2+]C(C)(C)C1CC1)c1ccccc1 ZINC000537327788 324065702 /nfs/dbraw/zinc/06/57/02/324065702.db2.gz VNWKIPVUSBKOES-ZDUSSCGKSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]Cc1ccoc1 ZINC000537329404 324065711 /nfs/dbraw/zinc/06/57/11/324065711.db2.gz JEPWYAJPGLKJSU-AWEZNQCLSA-N 1 0 243.350 3.638 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]Cc1ccoc1 ZINC000537329405 324065819 /nfs/dbraw/zinc/06/58/19/324065819.db2.gz JEPWYAJPGLKJSU-CQSZACIVSA-N 1 0 243.350 3.638 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H]1CCCOCC1 ZINC000537386163 324069664 /nfs/dbraw/zinc/06/96/64/324069664.db2.gz COVNYMKEUZBMJJ-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCCOCC1 ZINC000537386164 324069842 /nfs/dbraw/zinc/06/98/42/324069842.db2.gz COVNYMKEUZBMJJ-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC000537386165 324069560 /nfs/dbraw/zinc/06/95/60/324069560.db2.gz COVNYMKEUZBMJJ-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC000537386166 324069573 /nfs/dbraw/zinc/06/95/73/324069573.db2.gz COVNYMKEUZBMJJ-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000537398890 324070426 /nfs/dbraw/zinc/07/04/26/324070426.db2.gz MLWHTCQWVHFXMN-AWEZNQCLSA-N 1 0 246.398 3.881 20 0 BHADRO CC(C)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000537398903 324070377 /nfs/dbraw/zinc/07/03/77/324070377.db2.gz MLWHTCQWVHFXMN-CQSZACIVSA-N 1 0 246.398 3.881 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCOC1CCCCCC1 ZINC000537401542 324070775 /nfs/dbraw/zinc/07/07/75/324070775.db2.gz VIIMSUXRGLLQRT-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CCOC1CCCCCC1 ZINC000537401543 324070610 /nfs/dbraw/zinc/07/06/10/324070610.db2.gz VIIMSUXRGLLQRT-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000537409165 324068742 /nfs/dbraw/zinc/06/87/42/324068742.db2.gz BRCMYMCJIPXBSQ-KRWDZBQOSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]C2CCCC2)C2CC2)cc1 ZINC000537409170 324068401 /nfs/dbraw/zinc/06/84/01/324068401.db2.gz BRCMYMCJIPXBSQ-QGZVFWFLSA-N 1 0 243.394 3.848 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000537417409 324069778 /nfs/dbraw/zinc/06/97/78/324069778.db2.gz WPGGXUABVGPAFC-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000537417413 324069675 /nfs/dbraw/zinc/06/96/75/324069675.db2.gz WPGGXUABVGPAFC-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000537417414 324069763 /nfs/dbraw/zinc/06/97/63/324069763.db2.gz WPGGXUABVGPAFC-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000537417415 324069528 /nfs/dbraw/zinc/06/95/28/324069528.db2.gz WPGGXUABVGPAFC-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO COc1ccc(C2([NH2+]C3CCCCC3)CC2)cc1 ZINC000537420348 324070685 /nfs/dbraw/zinc/07/06/85/324070685.db2.gz PRHZONCQDGFWIL-UHFFFAOYSA-N 1 0 245.366 3.607 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000537422205 324070475 /nfs/dbraw/zinc/07/04/75/324070475.db2.gz JXQARRWSQQSVJB-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000537422208 324070293 /nfs/dbraw/zinc/07/02/93/324070293.db2.gz JXQARRWSQQSVJB-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000537422209 324070548 /nfs/dbraw/zinc/07/05/48/324070548.db2.gz JXQARRWSQQSVJB-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000537422211 324070570 /nfs/dbraw/zinc/07/05/70/324070570.db2.gz JXQARRWSQQSVJB-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO c1ccc(C2([NH2+]C3CCCCCC3)CC2)cc1 ZINC000537422833 324071592 /nfs/dbraw/zinc/07/15/92/324071592.db2.gz OFFJSVWVNGOBDM-UHFFFAOYSA-N 1 0 229.367 3.988 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423793 324071478 /nfs/dbraw/zinc/07/14/78/324071478.db2.gz UUVIYASBMMLXAL-CYBMUJFWSA-N 1 0 247.382 3.853 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423794 324071811 /nfs/dbraw/zinc/07/18/11/324071811.db2.gz UUVIYASBMMLXAL-ZDUSSCGKSA-N 1 0 247.382 3.853 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423976 324071513 /nfs/dbraw/zinc/07/15/13/324071513.db2.gz XRZGWJOCYXWSIE-CHWSQXEVSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423977 324071459 /nfs/dbraw/zinc/07/14/59/324071459.db2.gz XRZGWJOCYXWSIE-OLZOCXBDSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423978 324071730 /nfs/dbraw/zinc/07/17/30/324071730.db2.gz XRZGWJOCYXWSIE-QWHCGFSZSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537423979 324071712 /nfs/dbraw/zinc/07/17/12/324071712.db2.gz XRZGWJOCYXWSIE-STQMWFEESA-N 1 0 247.382 3.709 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)C1CCCC1 ZINC000537424026 324071465 /nfs/dbraw/zinc/07/14/65/324071465.db2.gz ZWSZHDGRFVTTEB-CYBMUJFWSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2)CC1)C1CCCC1 ZINC000537424027 324071462 /nfs/dbraw/zinc/07/14/62/324071462.db2.gz ZWSZHDGRFVTTEB-ZDUSSCGKSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000537446340 324072636 /nfs/dbraw/zinc/07/26/36/324072636.db2.gz LDFJXOLZUAHZDB-KBPBESRZSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000537446343 324072577 /nfs/dbraw/zinc/07/25/77/324072577.db2.gz LDFJXOLZUAHZDB-KGLIPLIRSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000537446345 324072642 /nfs/dbraw/zinc/07/26/42/324072642.db2.gz LDFJXOLZUAHZDB-UONOGXRCSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000537446346 324072697 /nfs/dbraw/zinc/07/26/97/324072697.db2.gz LDFJXOLZUAHZDB-ZIAGYGMSSA-N 1 0 248.414 3.903 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537449090 324072532 /nfs/dbraw/zinc/07/25/32/324072532.db2.gz HFDWWHSAZPFZLD-GFCCVEGCSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537449108 324072618 /nfs/dbraw/zinc/07/26/18/324072618.db2.gz HFDWWHSAZPFZLD-LBPRGKRZSA-N 1 0 235.346 3.839 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537449165 324072605 /nfs/dbraw/zinc/07/26/05/324072605.db2.gz GGSQJVXAXSKGJJ-AWEZNQCLSA-N 1 0 235.346 3.983 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537449168 324072784 /nfs/dbraw/zinc/07/27/84/324072784.db2.gz GGSQJVXAXSKGJJ-CQSZACIVSA-N 1 0 235.346 3.983 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000537449431 324072665 /nfs/dbraw/zinc/07/26/65/324072665.db2.gz IEXYQJVNCSKYCI-HNNXBMFYSA-N 1 0 241.378 3.941 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000537449437 324072513 /nfs/dbraw/zinc/07/25/13/324072513.db2.gz IEXYQJVNCSKYCI-OAHLLOKOSA-N 1 0 241.378 3.941 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000537449794 324072761 /nfs/dbraw/zinc/07/27/61/324072761.db2.gz LJNPTQHZHYJQPU-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000537449806 324072472 /nfs/dbraw/zinc/07/24/72/324072472.db2.gz LJNPTQHZHYJQPU-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1(C2CC2)CC1 ZINC000537449988 324072639 /nfs/dbraw/zinc/07/26/39/324072639.db2.gz MTYOUVDOXVSEEX-INIZCTEOSA-N 1 0 243.394 3.848 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]C1(C2CC2)CC1 ZINC000537449989 324072584 /nfs/dbraw/zinc/07/25/84/324072584.db2.gz MTYOUVDOXVSEEX-MRXNPFEDSA-N 1 0 243.394 3.848 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(OC)c1 ZINC000537451110 324072657 /nfs/dbraw/zinc/07/26/57/324072657.db2.gz CISNJXPTFDZSGW-HNNXBMFYSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(OC)c1 ZINC000537451114 324072359 /nfs/dbraw/zinc/07/23/59/324072359.db2.gz CISNJXPTFDZSGW-OAHLLOKOSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]C1(C2CC2)CC1 ZINC000537451197 324072742 /nfs/dbraw/zinc/07/27/42/324072742.db2.gz DNJRZVVWODHXFX-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]C1(C2CC2)CC1 ZINC000537451200 324072586 /nfs/dbraw/zinc/07/25/86/324072586.db2.gz DNJRZVVWODHXFX-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1C ZINC000537451345 324072669 /nfs/dbraw/zinc/07/26/69/324072669.db2.gz WMDBCQNCAVDRBU-CYBMUJFWSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1C ZINC000537451349 324072756 /nfs/dbraw/zinc/07/27/56/324072756.db2.gz WMDBCQNCAVDRBU-ZDUSSCGKSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c(C)c1 ZINC000537451403 324072688 /nfs/dbraw/zinc/07/26/88/324072688.db2.gz XDXRCDNQDCJWLT-CYBMUJFWSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)c(C)c1 ZINC000537451405 324072497 /nfs/dbraw/zinc/07/24/97/324072497.db2.gz XDXRCDNQDCJWLT-ZDUSSCGKSA-N 1 0 229.367 3.897 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)C1CCCC1 ZINC000537451432 324072534 /nfs/dbraw/zinc/07/25/34/324072534.db2.gz XITYCDPVTRVACC-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2F)CC1)C1CCCC1 ZINC000537451434 324072542 /nfs/dbraw/zinc/07/25/42/324072542.db2.gz XITYCDPVTRVACC-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1(C3CC3)CC1)CCC2 ZINC000537451475 324072582 /nfs/dbraw/zinc/07/25/82/324072582.db2.gz XZYYQRVEQLOIDP-INIZCTEOSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1(C3CC3)CC1)CCC2 ZINC000537451476 324072746 /nfs/dbraw/zinc/07/27/46/324072746.db2.gz XZYYQRVEQLOIDP-MRXNPFEDSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000537451668 324072707 /nfs/dbraw/zinc/07/27/07/324072707.db2.gz HAZKPGUUMVPACC-HNNXBMFYSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000537451680 324072691 /nfs/dbraw/zinc/07/26/91/324072691.db2.gz HAZKPGUUMVPACC-OAHLLOKOSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000537451727 324072613 /nfs/dbraw/zinc/07/26/13/324072613.db2.gz ITLTXTVOZAVIAT-CYBMUJFWSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000537451728 324073630 /nfs/dbraw/zinc/07/36/30/324073630.db2.gz ITLTXTVOZAVIAT-ZDUSSCGKSA-N 1 0 229.367 3.897 20 0 BHADRO CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000537451874 324073574 /nfs/dbraw/zinc/07/35/74/324073574.db2.gz JKDCDCBIONKDFL-AWEZNQCLSA-N 1 0 231.383 3.930 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000537451879 324073449 /nfs/dbraw/zinc/07/34/49/324073449.db2.gz JKDCDCBIONKDFL-CQSZACIVSA-N 1 0 231.383 3.930 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000537452164 324073196 /nfs/dbraw/zinc/07/31/96/324073196.db2.gz NBFVQTDDFUNOCI-AWEZNQCLSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000537452175 324073410 /nfs/dbraw/zinc/07/34/10/324073410.db2.gz NBFVQTDDFUNOCI-CQSZACIVSA-N 1 0 247.769 3.860 20 0 BHADRO CC[C@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CC1 ZINC000537452176 324073373 /nfs/dbraw/zinc/07/33/73/324073373.db2.gz NEPCUCQTARCHTI-INIZCTEOSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CC1 ZINC000537452177 324073356 /nfs/dbraw/zinc/07/33/56/324073356.db2.gz NEPCUCQTARCHTI-MRXNPFEDSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452395 324073597 /nfs/dbraw/zinc/07/35/97/324073597.db2.gz QTQIBFMGUWNGLI-NEPJUHHUSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452396 324073711 /nfs/dbraw/zinc/07/37/11/324073711.db2.gz QTQIBFMGUWNGLI-NWDGAFQWSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452397 324073526 /nfs/dbraw/zinc/07/35/26/324073526.db2.gz QTQIBFMGUWNGLI-RYUDHWBXSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452398 324073551 /nfs/dbraw/zinc/07/35/51/324073551.db2.gz QTQIBFMGUWNGLI-VXGBXAGGSA-N 1 0 235.346 3.839 20 0 BHADRO c1ccc(C2([NH2+]C3CCCCC3)CCC2)cc1 ZINC000537463998 324074612 /nfs/dbraw/zinc/07/46/12/324074612.db2.gz FMSFFDDLTIRDOJ-UHFFFAOYSA-N 1 0 229.367 3.988 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(c2ccccc2)CCC1 ZINC000537468151 324074536 /nfs/dbraw/zinc/07/45/36/324074536.db2.gz VFOBLFCAYKMEND-CYBMUJFWSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(c2ccccc2)CCC1 ZINC000537468152 324074072 /nfs/dbraw/zinc/07/40/72/324074072.db2.gz VFOBLFCAYKMEND-ZDUSSCGKSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)C(C)C ZINC000537477730 324075321 /nfs/dbraw/zinc/07/53/21/324075321.db2.gz MBSXMOSAIKUBGP-ILXRZTDVSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)C(C)C ZINC000537477732 324075630 /nfs/dbraw/zinc/07/56/30/324075630.db2.gz MBSXMOSAIKUBGP-KFWWJZLASA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)C(C)C ZINC000537477733 324075276 /nfs/dbraw/zinc/07/52/76/324075276.db2.gz MBSXMOSAIKUBGP-KKUMJFAQSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)C(C)C ZINC000537477735 324075315 /nfs/dbraw/zinc/07/53/15/324075315.db2.gz MBSXMOSAIKUBGP-ZNMIVQPWSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000537478486 324075180 /nfs/dbraw/zinc/07/51/80/324075180.db2.gz RJWAFCJPVGLMJB-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000537478488 324075365 /nfs/dbraw/zinc/07/53/65/324075365.db2.gz RJWAFCJPVGLMJB-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000537478489 324075140 /nfs/dbraw/zinc/07/51/40/324075140.db2.gz RJWAFCJPVGLMJB-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000537478490 324075471 /nfs/dbraw/zinc/07/54/71/324075471.db2.gz RJWAFCJPVGLMJB-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C(C)(C)C)CCO1 ZINC000537478727 324075056 /nfs/dbraw/zinc/07/50/56/324075056.db2.gz YSOGKWZUZZXFHC-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)C(C)(C)C)CCO1 ZINC000537478728 324075156 /nfs/dbraw/zinc/07/51/56/324075156.db2.gz YSOGKWZUZZXFHC-HZSPNIEDSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)C(C)(C)C)CCO1 ZINC000537478729 324075555 /nfs/dbraw/zinc/07/55/55/324075555.db2.gz YSOGKWZUZZXFHC-MELADBBJSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C(C)(C)C)CCO1 ZINC000537478730 324075558 /nfs/dbraw/zinc/07/55/58/324075558.db2.gz YSOGKWZUZZXFHC-MGPQQGTHSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000537509078 324074995 /nfs/dbraw/zinc/07/49/95/324074995.db2.gz HCBBNRFNHOVGIT-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000537509093 324075349 /nfs/dbraw/zinc/07/53/49/324075349.db2.gz HCBBNRFNHOVGIT-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000537509094 324075219 /nfs/dbraw/zinc/07/52/19/324075219.db2.gz HCBBNRFNHOVGIT-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000537509096 324075342 /nfs/dbraw/zinc/07/53/42/324075342.db2.gz HCBBNRFNHOVGIT-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537529832 324077605 /nfs/dbraw/zinc/07/76/05/324077605.db2.gz VKUDDXQVUSYIIN-UHFFFAOYSA-N 1 0 245.288 3.726 20 0 BHADRO Cc1cccc(CCC[NH+]2C3CCC2CC3)c1 ZINC000537588281 324082991 /nfs/dbraw/zinc/08/29/91/324082991.db2.gz GKTXXYVUVXVASF-UHFFFAOYSA-N 1 0 229.367 3.554 20 0 BHADRO 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/nfs/dbraw/zinc/09/38/32/324093832.db2.gz ONKNLUHRIZLTLE-QLKUMGTLSA-N 1 0 247.407 3.527 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CCSC[C@@H]1C ZINC000537638428 324093668 /nfs/dbraw/zinc/09/36/68/324093668.db2.gz ONKNLUHRIZLTLE-UELRPHRMSA-N 1 0 247.407 3.527 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CCSC[C@@H]1C ZINC000537638429 324093805 /nfs/dbraw/zinc/09/38/05/324093805.db2.gz ONKNLUHRIZLTLE-ZVHGMHCTSA-N 1 0 247.407 3.527 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)o1 ZINC000537638456 324093689 /nfs/dbraw/zinc/09/36/89/324093689.db2.gz RELDNZKISPVUHI-KYOSRNDESA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)o1 ZINC000537638457 324093513 /nfs/dbraw/zinc/09/35/13/324093513.db2.gz RELDNZKISPVUHI-OSAQELSMSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)o1 ZINC000537638458 324093741 /nfs/dbraw/zinc/09/37/41/324093741.db2.gz RELDNZKISPVUHI-UXIGCNINSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000537638459 324093727 /nfs/dbraw/zinc/09/37/27/324093727.db2.gz RELDNZKISPVUHI-ZLDLUXBVSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1C ZINC000537646939 324092676 /nfs/dbraw/zinc/09/26/76/324092676.db2.gz CYZTYHPTENGUPW-INIZCTEOSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1C ZINC000537646940 324092653 /nfs/dbraw/zinc/09/26/53/324092653.db2.gz CYZTYHPTENGUPW-MRXNPFEDSA-N 1 0 229.367 3.535 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2occc2C)C1 ZINC000537647934 324092601 /nfs/dbraw/zinc/09/26/01/324092601.db2.gz VXFMPJHXKOZMNM-CYBMUJFWSA-N 1 0 221.344 3.600 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2occc2C)C1 ZINC000537647946 324092668 /nfs/dbraw/zinc/09/26/68/324092668.db2.gz VXFMPJHXKOZMNM-ZDUSSCGKSA-N 1 0 221.344 3.600 20 0 BHADRO CC(C)(C)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000537648618 324092609 /nfs/dbraw/zinc/09/26/09/324092609.db2.gz LOZIMUKLZKCLMP-HNNXBMFYSA-N 1 0 246.398 3.609 20 0 BHADRO CC(C)(C)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000537648620 324092617 /nfs/dbraw/zinc/09/26/17/324092617.db2.gz LOZIMUKLZKCLMP-OAHLLOKOSA-N 1 0 246.398 3.609 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000537649025 324092345 /nfs/dbraw/zinc/09/23/45/324092345.db2.gz BRBSFUUOYPESOP-GFCCVEGCSA-N 1 0 223.385 3.760 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000537649026 324092692 /nfs/dbraw/zinc/09/26/92/324092692.db2.gz BRBSFUUOYPESOP-LBPRGKRZSA-N 1 0 223.385 3.760 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000537649540 324093526 /nfs/dbraw/zinc/09/35/26/324093526.db2.gz ZCXYOWKAWVRJIB-INIZCTEOSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000537649541 324093552 /nfs/dbraw/zinc/09/35/52/324093552.db2.gz ZCXYOWKAWVRJIB-MRXNPFEDSA-N 1 0 242.366 3.790 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000537649693 324093606 /nfs/dbraw/zinc/09/36/06/324093606.db2.gz WFDLATOAENIMRK-BBWFWOEESA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000537649694 324093594 /nfs/dbraw/zinc/09/35/94/324093594.db2.gz WFDLATOAENIMRK-ZACQAIPSSA-N 1 0 241.378 3.522 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccccc1N(C)C ZINC000537653158 324093748 /nfs/dbraw/zinc/09/37/48/324093748.db2.gz IDFOKJGFRZZKIO-CYBMUJFWSA-N 1 0 246.398 3.736 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccccc1N(C)C ZINC000537653160 324093736 /nfs/dbraw/zinc/09/37/36/324093736.db2.gz IDFOKJGFRZZKIO-ZDUSSCGKSA-N 1 0 246.398 3.736 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc(COC)cc1 ZINC000537658752 324095930 /nfs/dbraw/zinc/09/59/30/324095930.db2.gz CNGISFJKGWVZLS-AWEZNQCLSA-N 1 0 249.398 3.701 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(COC)cc1 ZINC000537658756 324095620 /nfs/dbraw/zinc/09/56/20/324095620.db2.gz CNGISFJKGWVZLS-CQSZACIVSA-N 1 0 249.398 3.701 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccccc1OC ZINC000537660139 324095876 /nfs/dbraw/zinc/09/58/76/324095876.db2.gz ALRKCQKYEVZGQJ-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccccc1OC ZINC000537660142 324095647 /nfs/dbraw/zinc/09/56/47/324095647.db2.gz ALRKCQKYEVZGQJ-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537660389 324095796 /nfs/dbraw/zinc/09/57/96/324095796.db2.gz FISUMZGBEZHRLT-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537660390 324095960 /nfs/dbraw/zinc/09/59/60/324095960.db2.gz FISUMZGBEZHRLT-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537660391 324095942 /nfs/dbraw/zinc/09/59/42/324095942.db2.gz FISUMZGBEZHRLT-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537660392 324095964 /nfs/dbraw/zinc/09/59/64/324095964.db2.gz FISUMZGBEZHRLT-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683930 324095723 /nfs/dbraw/zinc/09/57/23/324095723.db2.gz NRLFUDXXCGXZAV-GHMZBOCLSA-N 1 0 221.319 3.543 20 0 BHADRO CCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683932 324095972 /nfs/dbraw/zinc/09/59/72/324095972.db2.gz NRLFUDXXCGXZAV-MNOVXSKESA-N 1 0 221.319 3.543 20 0 BHADRO CCC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683933 324095462 /nfs/dbraw/zinc/09/54/62/324095462.db2.gz NRLFUDXXCGXZAV-QWRGUYRKSA-N 1 0 221.319 3.543 20 0 BHADRO CCC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000537683934 324095992 /nfs/dbraw/zinc/09/59/92/324095992.db2.gz NRLFUDXXCGXZAV-WDEREUQCSA-N 1 0 221.319 3.543 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000537689454 324096935 /nfs/dbraw/zinc/09/69/35/324096935.db2.gz MWKZGBBGKSBUDJ-CYBMUJFWSA-N 1 0 242.366 3.646 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000537689456 324096372 /nfs/dbraw/zinc/09/63/72/324096372.db2.gz MWKZGBBGKSBUDJ-ZDUSSCGKSA-N 1 0 242.366 3.646 20 0 BHADRO CCCOc1ccc(C[N@H+](C)CCC2CC2)cc1 ZINC000537692526 324096851 /nfs/dbraw/zinc/09/68/51/324096851.db2.gz MNONMJIXDFJWKS-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cccn1C ZINC000537694252 324097371 /nfs/dbraw/zinc/09/73/71/324097371.db2.gz CWXPKCNNLOGWLD-AWEZNQCLSA-N 1 0 234.387 3.570 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cccn1C ZINC000537694256 324097446 /nfs/dbraw/zinc/09/74/46/324097446.db2.gz CWXPKCNNLOGWLD-CQSZACIVSA-N 1 0 234.387 3.570 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537694286 324097849 /nfs/dbraw/zinc/09/78/49/324097849.db2.gz DWMCQRDQMVPQKZ-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000537694288 324097550 /nfs/dbraw/zinc/09/75/50/324097550.db2.gz DWMCQRDQMVPQKZ-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(F)c(Cl)c1 ZINC000537695247 324097577 /nfs/dbraw/zinc/09/75/77/324097577.db2.gz HAPCPLNHVFZJQL-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000537696470 324097535 /nfs/dbraw/zinc/09/75/35/324097535.db2.gz KLESTCRNLKJHHS-CYBMUJFWSA-N 1 0 238.400 3.688 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000537696485 324097908 /nfs/dbraw/zinc/09/79/08/324097908.db2.gz KLESTCRNLKJHHS-ZDUSSCGKSA-N 1 0 238.400 3.688 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+](C)CCC1CC1 ZINC000537698526 324097838 /nfs/dbraw/zinc/09/78/38/324097838.db2.gz WCONZXAYWLZGCT-OWBHPGMISA-N 1 0 229.367 3.822 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+](C)CCC1CC1 ZINC000537698528 324097809 /nfs/dbraw/zinc/09/78/09/324097809.db2.gz WCONZXAYWLZGCT-WYMLVPIESA-N 1 0 229.367 3.822 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000537711109 324098669 /nfs/dbraw/zinc/09/86/69/324098669.db2.gz UQDJXYADXFYQSS-BZPMIXESSA-N 1 0 233.355 3.635 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000537711115 324098923 /nfs/dbraw/zinc/09/89/23/324098923.db2.gz UQDJXYADXFYQSS-OUCADQQQSA-N 1 0 233.355 3.635 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000537711117 324098659 /nfs/dbraw/zinc/09/86/59/324098659.db2.gz UQDJXYADXFYQSS-SCRDCRAPSA-N 1 0 233.355 3.635 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000537711119 324098766 /nfs/dbraw/zinc/09/87/66/324098766.db2.gz UQDJXYADXFYQSS-YRGRVCCFSA-N 1 0 233.355 3.635 20 0 BHADRO Cc1oc2ccccc2c1C[NH+]1CCCCC1 ZINC000537720321 324098952 /nfs/dbraw/zinc/09/89/52/324098952.db2.gz NGSBIIVRHZAGEL-UHFFFAOYSA-N 1 0 229.323 3.727 20 0 BHADRO CC[C@@H](C[N@H+](C)CC(C)(C)OC)c1ccccc1 ZINC000537725601 324100908 /nfs/dbraw/zinc/10/09/08/324100908.db2.gz WPDLICNXNRAKQP-AWEZNQCLSA-N 1 0 249.398 3.537 20 0 BHADRO CC[C@H](C[N@H+](C)CC(C)(C)OC)c1ccccc1 ZINC000537725602 324100788 /nfs/dbraw/zinc/10/07/88/324100788.db2.gz WPDLICNXNRAKQP-CQSZACIVSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000537767685 324102981 /nfs/dbraw/zinc/10/29/81/324102981.db2.gz QZOIJZABSFDHNT-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000537767698 324102989 /nfs/dbraw/zinc/10/29/89/324102989.db2.gz QZOIJZABSFDHNT-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000537767699 324102898 /nfs/dbraw/zinc/10/28/98/324102898.db2.gz QZOIJZABSFDHNT-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000537767700 324102870 /nfs/dbraw/zinc/10/28/70/324102870.db2.gz QZOIJZABSFDHNT-YJNKXOJESA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537768459 324102451 /nfs/dbraw/zinc/10/24/51/324102451.db2.gz VCIUTSFQSBIDJF-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO CCC[C@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000537768460 324102978 /nfs/dbraw/zinc/10/29/78/324102978.db2.gz VCIUTSFQSBIDJF-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@H]1CCC[C@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000537851038 324107235 /nfs/dbraw/zinc/10/72/35/324107235.db2.gz GZTOHBPGHAXXMC-KBPBESRZSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000537851046 324107277 /nfs/dbraw/zinc/10/72/77/324107277.db2.gz GZTOHBPGHAXXMC-KGLIPLIRSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@H]1CCC[C@@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000537851047 324107887 /nfs/dbraw/zinc/10/78/87/324107887.db2.gz GZTOHBPGHAXXMC-UONOGXRCSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000537851048 324107720 /nfs/dbraw/zinc/10/77/20/324107720.db2.gz GZTOHBPGHAXXMC-ZIAGYGMSSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000537851950 324107324 /nfs/dbraw/zinc/10/73/24/324107324.db2.gz UPEOAQVIJQJJMK-FMKPAKJESA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000537851951 324107577 /nfs/dbraw/zinc/10/75/77/324107577.db2.gz UPEOAQVIJQJJMK-IIAWOOMASA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000537851952 324107350 /nfs/dbraw/zinc/10/73/50/324107350.db2.gz UPEOAQVIJQJJMK-IJEWVQPXSA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000537851953 324108989 /nfs/dbraw/zinc/10/89/89/324108989.db2.gz UPEOAQVIJQJJMK-YCPHGPKFSA-N 1 0 246.398 3.978 20 0 BHADRO CCOCC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000537853471 324108697 /nfs/dbraw/zinc/10/86/97/324108697.db2.gz LNZBCQITQXPJMD-HNNXBMFYSA-N 1 0 249.398 3.641 20 0 BHADRO CCOCC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000537853472 324108191 /nfs/dbraw/zinc/10/81/91/324108191.db2.gz LNZBCQITQXPJMD-OAHLLOKOSA-N 1 0 249.398 3.641 20 0 BHADRO CCc1ccc(C2=CC[N@@H+](C(C)C)CC2)cc1 ZINC000537853648 324109030 /nfs/dbraw/zinc/10/90/30/324109030.db2.gz UJTPVZOQXFTBJM-UHFFFAOYSA-N 1 0 229.367 3.747 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1F ZINC000537857468 324105349 /nfs/dbraw/zinc/10/53/49/324105349.db2.gz RUXVTKQVQGVNAS-CMPLNLGQSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1F ZINC000537857476 324105466 /nfs/dbraw/zinc/10/54/66/324105466.db2.gz RUXVTKQVQGVNAS-JQWIXIFHSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1F ZINC000537857477 324105785 /nfs/dbraw/zinc/10/57/85/324105785.db2.gz RUXVTKQVQGVNAS-PWSUYJOCSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1F ZINC000537857478 324105260 /nfs/dbraw/zinc/10/52/60/324105260.db2.gz RUXVTKQVQGVNAS-ZYHUDNBSSA-N 1 0 239.309 3.728 20 0 BHADRO C1CCC([N@@H+]2CCCC23CCCCC3)C1 ZINC000537859645 324105375 /nfs/dbraw/zinc/10/53/75/324105375.db2.gz LDJLFAJTPGQUAM-UHFFFAOYSA-N 1 0 207.361 3.728 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccccc1OC1CCC1 ZINC000537861074 324105820 /nfs/dbraw/zinc/10/58/20/324105820.db2.gz BQYFFBTVPLCXAQ-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccccc1OC1CCC1 ZINC000537861075 324104937 /nfs/dbraw/zinc/10/49/37/324104937.db2.gz BQYFFBTVPLCXAQ-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO C(C1CC1)[N@H+](C1CCCC1)C1CCCCC1 ZINC000537861804 324104985 /nfs/dbraw/zinc/10/49/85/324104985.db2.gz PNKLZFSRINCICT-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO CCC1CCC([N@H+](C)Cc2ncccc2C)CC1 ZINC000537861846 324105670 /nfs/dbraw/zinc/10/56/70/324105670.db2.gz ROUDIGYNSORLBA-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ncccc1C ZINC000537862841 324105332 /nfs/dbraw/zinc/10/53/32/324105332.db2.gz KTTXWDNTJRVWIN-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ncccc1C ZINC000537862843 324105446 /nfs/dbraw/zinc/10/54/46/324105446.db2.gz KTTXWDNTJRVWIN-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ncccc1C ZINC000537862846 324105216 /nfs/dbraw/zinc/10/52/16/324105216.db2.gz KTTXWDNTJRVWIN-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ncccc1C ZINC000537862849 324105455 /nfs/dbraw/zinc/10/54/55/324105455.db2.gz KTTXWDNTJRVWIN-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO Fc1ccc(C[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000537863120 324105498 /nfs/dbraw/zinc/10/54/98/324105498.db2.gz LXTDLJXLKWEFAZ-AWEZNQCLSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1ccc(C[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000537863121 324105041 /nfs/dbraw/zinc/10/50/41/324105041.db2.gz LXTDLJXLKWEFAZ-CQSZACIVSA-N 1 0 247.357 3.633 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1cc2ccccc2o1 ZINC000537863576 324105571 /nfs/dbraw/zinc/10/55/71/324105571.db2.gz PUKTZXUYUWIFTA-GFCCVEGCSA-N 1 0 231.339 3.611 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1cc2ccccc2o1 ZINC000537863577 324105807 /nfs/dbraw/zinc/10/58/07/324105807.db2.gz PUKTZXUYUWIFTA-LBPRGKRZSA-N 1 0 231.339 3.611 20 0 BHADRO CCCC[NH+](CCCC)Cc1ncccc1C ZINC000537863593 324105539 /nfs/dbraw/zinc/10/55/39/324105539.db2.gz QLJLPMJTKKDWPA-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO Cc1cccnc1C[N@@H+](CC(C)C)C1CCCC1 ZINC000537864175 324106145 /nfs/dbraw/zinc/10/61/45/324106145.db2.gz NMEQEZGUERKSMA-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000537864386 324106780 /nfs/dbraw/zinc/10/67/80/324106780.db2.gz XBLPVQYDWVSCCY-GFCCVEGCSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000537864391 324106736 /nfs/dbraw/zinc/10/67/36/324106736.db2.gz XBLPVQYDWVSCCY-LBPRGKRZSA-N 1 0 244.382 3.655 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000537865113 324106466 /nfs/dbraw/zinc/10/64/66/324106466.db2.gz UZXJQVMTWIFMSL-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000537865115 324106699 /nfs/dbraw/zinc/10/66/99/324106699.db2.gz UZXJQVMTWIFMSL-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000537865116 324106319 /nfs/dbraw/zinc/10/63/19/324106319.db2.gz UZXJQVMTWIFMSL-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000537865119 324106741 /nfs/dbraw/zinc/10/67/41/324106741.db2.gz UZXJQVMTWIFMSL-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)C[NH+](C1CCCC1)C1CCCC1 ZINC000537865312 324106756 /nfs/dbraw/zinc/10/67/56/324106756.db2.gz YZQVHKWKKKPNSI-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@H](C)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000537867565 324106732 /nfs/dbraw/zinc/10/67/32/324106732.db2.gz BCSFSXQGVUGBIV-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000537867567 324106667 /nfs/dbraw/zinc/10/66/67/324106667.db2.gz BCSFSXQGVUGBIV-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000537868196 324106573 /nfs/dbraw/zinc/10/65/73/324106573.db2.gz MHZQDCBOPWUSDV-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1ccc(OC(C)C)cc1 ZINC000537868199 324106335 /nfs/dbraw/zinc/10/63/35/324106335.db2.gz NCUNJIDWZSLDGG-AWEZNQCLSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1ccc(OC(C)C)cc1 ZINC000537868200 324106377 /nfs/dbraw/zinc/10/63/77/324106377.db2.gz NCUNJIDWZSLDGG-CQSZACIVSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000537868205 324106360 /nfs/dbraw/zinc/10/63/60/324106360.db2.gz MHZQDCBOPWUSDV-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)c1ccc(OC)cc1 ZINC000537868561 324106619 /nfs/dbraw/zinc/10/66/19/324106619.db2.gz NHLIZCMRDPKODK-CYBMUJFWSA-N 1 0 249.398 3.609 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)c1ccc(OC)cc1 ZINC000537868562 324106451 /nfs/dbraw/zinc/10/64/51/324106451.db2.gz NHLIZCMRDPKODK-ZDUSSCGKSA-N 1 0 249.398 3.609 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000537869294 324106458 /nfs/dbraw/zinc/10/64/58/324106458.db2.gz XBJVYNIIUNBHSH-LLVKDONJSA-N 1 0 244.382 3.920 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000537869297 324106112 /nfs/dbraw/zinc/10/61/12/324106112.db2.gz XBJVYNIIUNBHSH-NSHDSACASA-N 1 0 244.382 3.920 20 0 BHADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000537869343 324106633 /nfs/dbraw/zinc/10/66/33/324106633.db2.gz WWTPHMUMBMJWRE-BBRMVZONSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000537869353 324106410 /nfs/dbraw/zinc/10/64/10/324106410.db2.gz WWTPHMUMBMJWRE-CJNGLKHVSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000537869354 324106675 /nfs/dbraw/zinc/10/66/75/324106675.db2.gz WWTPHMUMBMJWRE-CZUORRHYSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000537869355 324106230 /nfs/dbraw/zinc/10/62/30/324106230.db2.gz WWTPHMUMBMJWRE-XJKSGUPXSA-N 1 0 229.367 3.807 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000537870124 324106707 /nfs/dbraw/zinc/10/67/07/324106707.db2.gz ZFCHXSYDEZBYPQ-GFCCVEGCSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000537870125 324106308 /nfs/dbraw/zinc/10/63/08/324106308.db2.gz ZFCHXSYDEZBYPQ-LBPRGKRZSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@H](C)C[NH2+]CCCCOc1ccc(C)cc1 ZINC000537870322 324106341 /nfs/dbraw/zinc/10/63/41/324106341.db2.gz YQZZSVYBPRVNIV-AWEZNQCLSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCCOc1ccc(C)cc1 ZINC000537870323 324106462 /nfs/dbraw/zinc/10/64/62/324106462.db2.gz YQZZSVYBPRVNIV-CQSZACIVSA-N 1 0 249.398 3.790 20 0 BHADRO Cc1cccnc1C[N@@H+](CC(C)C)CC(C)(C)C ZINC000537870440 324106498 /nfs/dbraw/zinc/10/64/98/324106498.db2.gz VNLSPXDIHJEPOP-UHFFFAOYSA-N 1 0 248.414 3.894 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000537883001 324107298 /nfs/dbraw/zinc/10/72/98/324107298.db2.gz OQSRGPHSRFCXEN-AEGPPILISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000537883006 324107318 /nfs/dbraw/zinc/10/73/18/324107318.db2.gz OQSRGPHSRFCXEN-QEJZJMRPSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000537883008 324107922 /nfs/dbraw/zinc/10/79/22/324107922.db2.gz OQSRGPHSRFCXEN-SNPRPXQTSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000537883009 324107797 /nfs/dbraw/zinc/10/77/97/324107797.db2.gz OQSRGPHSRFCXEN-VHDGCEQUSA-N 1 0 246.398 3.867 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000537917130 324221089 /nfs/dbraw/zinc/22/10/89/324221089.db2.gz IKVVWMXETDYCBN-JMSVASOKSA-N 1 0 229.367 3.655 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000537917131 324221481 /nfs/dbraw/zinc/22/14/81/324221481.db2.gz IKVVWMXETDYCBN-LALPHHSUSA-N 1 0 229.367 3.655 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000537917132 324221397 /nfs/dbraw/zinc/22/13/97/324221397.db2.gz IKVVWMXETDYCBN-TYNCELHUSA-N 1 0 229.367 3.655 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000537917133 324221386 /nfs/dbraw/zinc/22/13/86/324221386.db2.gz IKVVWMXETDYCBN-XUJVJEKNSA-N 1 0 229.367 3.655 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[C@H]2C)C2CC2)c1 ZINC000537917859 324426627 /nfs/dbraw/zinc/42/66/27/324426627.db2.gz LWOZDCWISOMKNC-COXVUDFISA-N 1 0 243.394 3.562 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C2CC2)c1 ZINC000537917860 388596075 /nfs/dbraw/zinc/59/60/75/388596075.db2.gz LWOZDCWISOMKNC-JQFCIGGWSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C[C@H]2C[C@@H]2C)C2CC2)c1 ZINC000537917861 388596055 /nfs/dbraw/zinc/59/60/55/388596055.db2.gz LWOZDCWISOMKNC-XKQJLSEDSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C[C@H]2C[C@H]2C)C2CC2)c1 ZINC000537917862 324426937 /nfs/dbraw/zinc/42/69/37/324426937.db2.gz LWOZDCWISOMKNC-XYPHTWIQSA-N 1 0 243.394 3.562 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000537918868 388602173 /nfs/dbraw/zinc/60/21/73/388602173.db2.gz TVJHAAZFMLOBOV-HZSPNIEDSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000537918869 388602087 /nfs/dbraw/zinc/60/20/87/388602087.db2.gz TVJHAAZFMLOBOV-MCIONIFRSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000537918870 324449858 /nfs/dbraw/zinc/44/98/58/324449858.db2.gz TVJHAAZFMLOBOV-MGPQQGTHSA-N 1 0 231.383 3.598 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000537918871 388602322 /nfs/dbraw/zinc/60/23/22/388602322.db2.gz TVJHAAZFMLOBOV-RDBSUJKOSA-N 1 0 231.383 3.598 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000537934991 345979821 /nfs/dbraw/zinc/97/98/21/345979821.db2.gz PBRCEEUNPDBBRJ-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000537934992 345979604 /nfs/dbraw/zinc/97/96/04/345979604.db2.gz PBRCEEUNPDBBRJ-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000537934993 345979785 /nfs/dbraw/zinc/97/97/85/345979785.db2.gz PBRCEEUNPDBBRJ-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000537934994 345980212 /nfs/dbraw/zinc/98/02/12/345980212.db2.gz PBRCEEUNPDBBRJ-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000537941106 323089164 /nfs/dbraw/zinc/08/91/64/323089164.db2.gz IHMZSHLWJASOSQ-AVGNSLFASA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000537941107 323089186 /nfs/dbraw/zinc/08/91/86/323089186.db2.gz IHMZSHLWJASOSQ-RWMBFGLXSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000537941108 323089169 /nfs/dbraw/zinc/08/91/69/323089169.db2.gz IHMZSHLWJASOSQ-XQQFMLRXSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000537941109 323089116 /nfs/dbraw/zinc/08/91/16/323089116.db2.gz IHMZSHLWJASOSQ-YNEHKIRRSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccco1 ZINC000537941882 388654641 /nfs/dbraw/zinc/65/46/41/388654641.db2.gz HOMDJSQVSNJHIQ-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccco1 ZINC000537941883 388654984 /nfs/dbraw/zinc/65/49/84/388654984.db2.gz HOMDJSQVSNJHIQ-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000537941884 324598169 /nfs/dbraw/zinc/59/81/69/324598169.db2.gz HOMDJSQVSNJHIQ-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000537941885 388655303 /nfs/dbraw/zinc/65/53/03/388655303.db2.gz HOMDJSQVSNJHIQ-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000537946828 388654859 /nfs/dbraw/zinc/65/48/59/388654859.db2.gz VSCPWKAONOPVAS-GFCCVEGCSA-N 1 0 235.371 3.929 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000537946829 388655335 /nfs/dbraw/zinc/65/53/35/388655335.db2.gz VSCPWKAONOPVAS-LBPRGKRZSA-N 1 0 235.371 3.929 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537946919 322818762 /nfs/dbraw/zinc/81/87/62/322818762.db2.gz AMYKBPPVXHPYKN-CHWSQXEVSA-N 1 0 247.382 3.802 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537946920 322818659 /nfs/dbraw/zinc/81/86/59/322818659.db2.gz AMYKBPPVXHPYKN-OLZOCXBDSA-N 1 0 247.382 3.802 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537946921 322818711 /nfs/dbraw/zinc/81/87/11/322818711.db2.gz AMYKBPPVXHPYKN-QWHCGFSZSA-N 1 0 247.382 3.802 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537946922 322818705 /nfs/dbraw/zinc/81/87/05/322818705.db2.gz AMYKBPPVXHPYKN-STQMWFEESA-N 1 0 247.382 3.802 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000537947430 322819246 /nfs/dbraw/zinc/81/92/46/322819246.db2.gz UDYCIXQAGXZRNG-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000537947431 322819250 /nfs/dbraw/zinc/81/92/50/322819250.db2.gz UDYCIXQAGXZRNG-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000537947432 322819168 /nfs/dbraw/zinc/81/91/68/322819168.db2.gz UDYCIXQAGXZRNG-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000537947433 322819237 /nfs/dbraw/zinc/81/92/37/322819237.db2.gz UDYCIXQAGXZRNG-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1)C(C)C ZINC000537948595 384369263 /nfs/dbraw/zinc/36/92/63/384369263.db2.gz UFDYPFFIUSQLOI-HNNXBMFYSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)C(C)C ZINC000537948596 322821995 /nfs/dbraw/zinc/82/19/95/322821995.db2.gz UFDYPFFIUSQLOI-OAHLLOKOSA-N 1 0 235.371 3.528 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000537950031 322826051 /nfs/dbraw/zinc/82/60/51/322826051.db2.gz GKAOZBVDHCYMLJ-DOMZBBRYSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000537950032 384451066 /nfs/dbraw/zinc/45/10/66/384451066.db2.gz GKAOZBVDHCYMLJ-IUODEOHRSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000537950033 384451088 /nfs/dbraw/zinc/45/10/88/384451088.db2.gz GKAOZBVDHCYMLJ-SWLSCSKDSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000537950034 384451311 /nfs/dbraw/zinc/45/13/11/384451311.db2.gz GKAOZBVDHCYMLJ-WFASDCNBSA-N 1 0 249.402 3.809 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000537951441 322864257 /nfs/dbraw/zinc/86/42/57/322864257.db2.gz NOWGWGRNKUOXBP-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000537951442 384797126 /nfs/dbraw/zinc/79/71/26/384797126.db2.gz NOWGWGRNKUOXBP-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000537951443 322864291 /nfs/dbraw/zinc/86/42/91/322864291.db2.gz NOWGWGRNKUOXBP-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000537951444 384795814 /nfs/dbraw/zinc/79/58/14/384795814.db2.gz NOWGWGRNKUOXBP-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000537952238 384830777 /nfs/dbraw/zinc/83/07/77/384830777.db2.gz VVHWUCPDUNORQO-INIZCTEOSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000537952239 322865638 /nfs/dbraw/zinc/86/56/38/322865638.db2.gz VVHWUCPDUNORQO-MRXNPFEDSA-N 1 0 247.382 3.528 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]CC12CCC(CC1)C2 ZINC000537952519 388656369 /nfs/dbraw/zinc/65/63/69/388656369.db2.gz JIBHETJOOGFEOR-HLIUYOAVSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]CC12CCC(CC1)C2 ZINC000537952520 324599234 /nfs/dbraw/zinc/59/92/34/324599234.db2.gz JIBHETJOOGFEOR-VQCLRJIVSA-N 1 0 247.382 3.771 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)c(C)c1 ZINC000537955291 384163142 /nfs/dbraw/zinc/16/31/42/384163142.db2.gz QDNRBHZBIAJICN-INIZCTEOSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@H](C(C)C)C2CC2)c(C)c1 ZINC000537955292 384164050 /nfs/dbraw/zinc/16/40/50/384164050.db2.gz QDNRBHZBIAJICN-MRXNPFEDSA-N 1 0 247.382 3.528 20 0 BHADRO C[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1CC1 ZINC000537959110 384679705 /nfs/dbraw/zinc/67/97/05/384679705.db2.gz VTMNNDYRGHDACY-AWEZNQCLSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1CC1 ZINC000537959111 384679125 /nfs/dbraw/zinc/67/91/25/384679125.db2.gz VTMNNDYRGHDACY-CQSZACIVSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000537959202 322973506 /nfs/dbraw/zinc/97/35/06/322973506.db2.gz YBWZSMNAYUPEMP-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000537959203 384688602 /nfs/dbraw/zinc/68/86/02/384688602.db2.gz YBWZSMNAYUPEMP-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccccc1C(C)(C)C ZINC000537959458 388656319 /nfs/dbraw/zinc/65/63/19/388656319.db2.gz HULKXNZDPNQHOL-GFCCVEGCSA-N 1 0 237.362 3.994 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccccc1C(C)(C)C ZINC000537959459 388656238 /nfs/dbraw/zinc/65/62/38/388656238.db2.gz HULKXNZDPNQHOL-LBPRGKRZSA-N 1 0 237.362 3.994 20 0 BHADRO CCOc1cccc(CC[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000537961675 324599976 /nfs/dbraw/zinc/59/99/76/324599976.db2.gz SXRHHNWIFMNSHL-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@@H](C)[C@H](C)CC)c1 ZINC000537961676 324600046 /nfs/dbraw/zinc/60/00/46/324600046.db2.gz SXRHHNWIFMNSHL-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000537961677 324599680 /nfs/dbraw/zinc/59/96/80/324599680.db2.gz SXRHHNWIFMNSHL-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1cccc(CC[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000537961678 388656423 /nfs/dbraw/zinc/65/64/23/388656423.db2.gz SXRHHNWIFMNSHL-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCc2cccs2)o1 ZINC000537961693 388656193 /nfs/dbraw/zinc/65/61/93/388656193.db2.gz UEEXLDAMOUHMMN-GFCCVEGCSA-N 1 0 249.379 3.933 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCc2cccs2)o1 ZINC000537961694 388656411 /nfs/dbraw/zinc/65/64/11/388656411.db2.gz UEEXLDAMOUHMMN-LBPRGKRZSA-N 1 0 249.379 3.933 20 0 BHADRO CCCC(CCC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000537962864 324599783 /nfs/dbraw/zinc/59/97/83/324599783.db2.gz NUOOCQMYNFSZIE-UHFFFAOYSA-N 1 0 247.382 3.775 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000537965637 323369529 /nfs/dbraw/zinc/36/95/29/323369529.db2.gz XBFGUYNQDYAFRJ-BBRMVZONSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000537965638 323369521 /nfs/dbraw/zinc/36/95/21/323369521.db2.gz XBFGUYNQDYAFRJ-CJNGLKHVSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000537965639 323369575 /nfs/dbraw/zinc/36/95/75/323369575.db2.gz XBFGUYNQDYAFRJ-CZUORRHYSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000537965640 323369548 /nfs/dbraw/zinc/36/95/48/323369548.db2.gz XBFGUYNQDYAFRJ-XJKSGUPXSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000537969519 324600758 /nfs/dbraw/zinc/60/07/58/324600758.db2.gz DBPVHMXQOZNERM-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000537969520 388656838 /nfs/dbraw/zinc/65/68/38/388656838.db2.gz DBPVHMXQOZNERM-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO c1ccc(C[C@H]([NH2+]CCCC2CC2)C2CC2)cc1 ZINC000537970269 322975169 /nfs/dbraw/zinc/97/51/69/322975169.db2.gz OCJRZCOZBYTRRS-KRWDZBQOSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]([NH2+]CCCC2CC2)C2CC2)cc1 ZINC000537970270 322975183 /nfs/dbraw/zinc/97/51/83/322975183.db2.gz OCJRZCOZBYTRRS-QGZVFWFLSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1cccc(OC)c1 ZINC000537970379 324600835 /nfs/dbraw/zinc/60/08/35/324600835.db2.gz SPIWEPVYTQJFJI-INIZCTEOSA-N 1 0 247.382 3.926 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1cccc(OC)c1 ZINC000537970380 324601320 /nfs/dbraw/zinc/60/13/20/324601320.db2.gz SPIWEPVYTQJFJI-MRXNPFEDSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cc2c(s1)CCC2 ZINC000537971154 324600775 /nfs/dbraw/zinc/60/07/75/324600775.db2.gz AVQDVSOXKUPZGY-AAEUAGOBSA-N 1 0 247.407 3.996 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc2c(s1)CCC2 ZINC000537971155 388657097 /nfs/dbraw/zinc/65/70/97/388657097.db2.gz AVQDVSOXKUPZGY-DGCLKSJQSA-N 1 0 247.407 3.996 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc2c(s1)CCC2 ZINC000537971156 388657006 /nfs/dbraw/zinc/65/70/06/388657006.db2.gz AVQDVSOXKUPZGY-WCQYABFASA-N 1 0 247.407 3.996 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc2c(s1)CCC2 ZINC000537971157 388656185 /nfs/dbraw/zinc/65/61/85/388656185.db2.gz AVQDVSOXKUPZGY-YPMHNXCESA-N 1 0 247.407 3.996 20 0 BHADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(C)C)cc1 ZINC000537971472 324600896 /nfs/dbraw/zinc/60/08/96/324600896.db2.gz QQUYMEIUBVPXQA-CYBMUJFWSA-N 1 0 249.398 3.607 20 0 BHADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(C)C)cc1 ZINC000537971473 324599956 /nfs/dbraw/zinc/59/99/56/324599956.db2.gz QQUYMEIUBVPXQA-ZDUSSCGKSA-N 1 0 249.398 3.607 20 0 BHADRO CC[C@H]([NH2+]CCCSc1ccccc1)C1CC1 ZINC000537972579 388657055 /nfs/dbraw/zinc/65/70/55/388657055.db2.gz QWCZJLCPWWAGSP-HNNXBMFYSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H]([NH2+]CCCSc1ccccc1)C1CC1 ZINC000537972580 388656961 /nfs/dbraw/zinc/65/69/61/388656961.db2.gz QWCZJLCPWWAGSP-OAHLLOKOSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H]([NH2+]CCc1cccc(F)c1F)C(C)C ZINC000537975897 324602239 /nfs/dbraw/zinc/60/22/39/324602239.db2.gz FXIONESCZAWKRH-CYBMUJFWSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H]([NH2+]CCc1cccc(F)c1F)C(C)C ZINC000537975898 324602163 /nfs/dbraw/zinc/60/21/63/324602163.db2.gz FXIONESCZAWKRH-ZDUSSCGKSA-N 1 0 241.325 3.532 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccco1 ZINC000537976062 324602253 /nfs/dbraw/zinc/60/22/53/324602253.db2.gz KPYJGZXRINMNGC-DOMZBBRYSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccco1 ZINC000537976063 388657023 /nfs/dbraw/zinc/65/70/23/388657023.db2.gz KPYJGZXRINMNGC-IUODEOHRSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000537976064 324601957 /nfs/dbraw/zinc/60/19/57/324601957.db2.gz KPYJGZXRINMNGC-SWLSCSKDSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000537976065 388657471 /nfs/dbraw/zinc/65/74/71/388657471.db2.gz KPYJGZXRINMNGC-WFASDCNBSA-N 1 0 241.334 3.926 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC000537977961 324602439 /nfs/dbraw/zinc/60/24/39/324602439.db2.gz BVURQQACABHKEQ-BFHYXJOUSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC000537977962 324602114 /nfs/dbraw/zinc/60/21/14/324602114.db2.gz BVURQQACABHKEQ-IHRRRGAJSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC000537977963 324602148 /nfs/dbraw/zinc/60/21/48/324602148.db2.gz BVURQQACABHKEQ-MELADBBJSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC000537977964 388656821 /nfs/dbraw/zinc/65/68/21/388656821.db2.gz BVURQQACABHKEQ-MJBXVCDLSA-N 1 0 249.398 3.650 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000537979017 323052606 /nfs/dbraw/zinc/05/26/06/323052606.db2.gz QTXLJSFVWKOFLF-FIXISWKDSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000537979018 323052610 /nfs/dbraw/zinc/05/26/10/323052610.db2.gz QTXLJSFVWKOFLF-PGUXBMHVSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000537979019 323052527 /nfs/dbraw/zinc/05/25/27/323052527.db2.gz QTXLJSFVWKOFLF-RWSFTLGLSA-N 1 0 235.346 3.837 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000537979020 323052569 /nfs/dbraw/zinc/05/25/69/323052569.db2.gz QTXLJSFVWKOFLF-ZIBATOQPSA-N 1 0 235.346 3.837 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000537980778 388657414 /nfs/dbraw/zinc/65/74/14/388657414.db2.gz LIYYKMYISPRYRT-CYBMUJFWSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCCC(C)(C)C ZINC000537980779 324603092 /nfs/dbraw/zinc/60/30/92/324603092.db2.gz LIYYKMYISPRYRT-ZDUSSCGKSA-N 1 0 234.387 3.867 20 0 BHADRO CC[C@H]([NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000537981072 323076221 /nfs/dbraw/zinc/07/62/21/323076221.db2.gz WGAYQTJSTFDAAE-HNNXBMFYSA-N 1 0 243.350 3.754 20 0 BHADRO CC[C@@H]([NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000537981073 323076247 /nfs/dbraw/zinc/07/62/47/323076247.db2.gz WGAYQTJSTFDAAE-OAHLLOKOSA-N 1 0 243.350 3.754 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CC2(C)CC2)C2CC2)c1 ZINC000537982034 323076804 /nfs/dbraw/zinc/07/68/04/323076804.db2.gz HUQWLYOQSXNQST-INIZCTEOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CC2(C)CC2)C2CC2)c1 ZINC000537982035 323076790 /nfs/dbraw/zinc/07/67/90/323076790.db2.gz HUQWLYOQSXNQST-MRXNPFEDSA-N 1 0 243.394 3.706 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537982045 324603038 /nfs/dbraw/zinc/60/30/38/324603038.db2.gz IHWVRPZVKYIWCP-AVGNSLFASA-N 1 0 247.382 3.802 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537982046 324603058 /nfs/dbraw/zinc/60/30/58/324603058.db2.gz IHWVRPZVKYIWCP-RWMBFGLXSA-N 1 0 247.382 3.802 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537982047 324603148 /nfs/dbraw/zinc/60/31/48/324603148.db2.gz IHWVRPZVKYIWCP-XQQFMLRXSA-N 1 0 247.382 3.802 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537982048 324603383 /nfs/dbraw/zinc/60/33/83/324603383.db2.gz IHWVRPZVKYIWCP-YNEHKIRRSA-N 1 0 247.382 3.802 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000537982121 388657757 /nfs/dbraw/zinc/65/77/57/388657757.db2.gz MBMJCONBWGLXLK-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000537982122 324603322 /nfs/dbraw/zinc/60/33/22/324603322.db2.gz MBMJCONBWGLXLK-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000537983159 324603105 /nfs/dbraw/zinc/60/31/05/324603105.db2.gz ADTQNXUKABNRIV-GUTXKFCHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC)C1CCOCC1 ZINC000537983160 388658410 /nfs/dbraw/zinc/65/84/10/388658410.db2.gz ADTQNXUKABNRIV-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)C1CCOCC1 ZINC000537983161 324603107 /nfs/dbraw/zinc/60/31/07/324603107.db2.gz ADTQNXUKABNRIV-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000537983162 388657913 /nfs/dbraw/zinc/65/79/13/388657913.db2.gz ADTQNXUKABNRIV-YDHLFZDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)C(C)(C)c1ccccc1 ZINC000537983260 388658164 /nfs/dbraw/zinc/65/81/64/388658164.db2.gz DUDDRTSTQUTHCC-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)C(C)(C)c1ccccc1 ZINC000537983261 388657725 /nfs/dbraw/zinc/65/77/25/388657725.db2.gz DUDDRTSTQUTHCC-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000537983494 346721909 /nfs/dbraw/zinc/72/19/09/346721909.db2.gz NWGNQTXJDGISHB-CABCVRRESA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000537983495 346722383 /nfs/dbraw/zinc/72/23/83/346722383.db2.gz NWGNQTXJDGISHB-GJZGRUSLSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000537983496 346721715 /nfs/dbraw/zinc/72/17/15/346721715.db2.gz NWGNQTXJDGISHB-HUUCEWRRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000537983497 346721683 /nfs/dbraw/zinc/72/16/83/346721683.db2.gz NWGNQTXJDGISHB-LSDHHAIUSA-N 1 0 249.398 3.505 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000537983683 324602968 /nfs/dbraw/zinc/60/29/68/324602968.db2.gz UZFXBJKCUNMCLF-CVEARBPZSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000537983684 324603221 /nfs/dbraw/zinc/60/32/21/324603221.db2.gz UZFXBJKCUNMCLF-HOTGVXAUSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000537983685 324603238 /nfs/dbraw/zinc/60/32/38/324603238.db2.gz UZFXBJKCUNMCLF-HZPDHXFCSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000537983686 388658038 /nfs/dbraw/zinc/65/80/38/388658038.db2.gz UZFXBJKCUNMCLF-JKSUJKDBSA-N 1 0 243.394 3.788 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000537983840 324603014 /nfs/dbraw/zinc/60/30/14/324603014.db2.gz ZTLSIVPARUJVFQ-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)C2CCCC2)cc1 ZINC000537983841 324603034 /nfs/dbraw/zinc/60/30/34/324603034.db2.gz ZTLSIVPARUJVFQ-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000537984208 388658413 /nfs/dbraw/zinc/65/84/13/388658413.db2.gz LZJYPRSXQKCUNB-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C1CC1 ZINC000537984788 324603089 /nfs/dbraw/zinc/60/30/89/324603089.db2.gz JFYXGTDKWNRYKW-BBWFWOEESA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C1CC1 ZINC000537984789 324602896 /nfs/dbraw/zinc/60/28/96/324602896.db2.gz JFYXGTDKWNRYKW-IKGGRYGDSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C1CC1 ZINC000537984790 388658199 /nfs/dbraw/zinc/65/81/99/388658199.db2.gz JFYXGTDKWNRYKW-ULQDDVLXSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C1CC1 ZINC000537984791 388658403 /nfs/dbraw/zinc/65/84/03/388658403.db2.gz JFYXGTDKWNRYKW-ZACQAIPSSA-N 1 0 243.394 3.642 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000537985042 388657988 /nfs/dbraw/zinc/65/79/88/388657988.db2.gz QLXXAQLYINZCIF-HUBLWGQQSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000537985043 324603827 /nfs/dbraw/zinc/60/38/27/324603827.db2.gz QLXXAQLYINZCIF-SLEUVZQESA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000537985044 388658238 /nfs/dbraw/zinc/65/82/38/388658238.db2.gz QLXXAQLYINZCIF-YWPYICTPSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000537985045 324603983 /nfs/dbraw/zinc/60/39/83/324603983.db2.gz QLXXAQLYINZCIF-ZOWXZIJZSA-N 1 0 247.382 3.707 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccco1 ZINC000537985058 388658398 /nfs/dbraw/zinc/65/83/98/388658398.db2.gz QYUMDPHLZDKKCC-AEGPPILISA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccco1 ZINC000537985059 324604227 /nfs/dbraw/zinc/60/42/27/324604227.db2.gz QYUMDPHLZDKKCC-CFVMTHIKSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccco1 ZINC000537985060 324604194 /nfs/dbraw/zinc/60/41/94/324604194.db2.gz QYUMDPHLZDKKCC-NWANDNLSSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccco1 ZINC000537985061 388657850 /nfs/dbraw/zinc/65/78/50/388657850.db2.gz QYUMDPHLZDKKCC-QEJZJMRPSA-N 1 0 241.334 3.561 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C2CC(C)C2)C2CC2)cc1 ZINC000537985772 388674125 /nfs/dbraw/zinc/67/41/25/388674125.db2.gz DINKSNAWEZDVMM-IMRCBTMISA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]C2CC(C)C2)C2CC2)cc1 ZINC000537985792 388674768 /nfs/dbraw/zinc/67/47/68/388674768.db2.gz DINKSNAWEZDVMM-QWFMPGPPSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000537986749 388674654 /nfs/dbraw/zinc/67/46/54/388674654.db2.gz KYZDSRIZDXXJHB-CYBMUJFWSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000537986758 324647845 /nfs/dbraw/zinc/64/78/45/324647845.db2.gz KYZDSRIZDXXJHB-ZDUSSCGKSA-N 1 0 249.423 3.865 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1ccco1 ZINC000537987196 388674357 /nfs/dbraw/zinc/67/43/57/388674357.db2.gz NXGJEVRKEGZRQO-FPMFFAJLSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1ccco1 ZINC000537987197 324647893 /nfs/dbraw/zinc/64/78/93/324647893.db2.gz NXGJEVRKEGZRQO-IACUBPJLSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1ccco1 ZINC000537987198 388674063 /nfs/dbraw/zinc/67/40/63/388674063.db2.gz NXGJEVRKEGZRQO-UBHSHLNASA-N 1 0 233.355 3.899 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccco1 ZINC000537987199 388674261 /nfs/dbraw/zinc/67/42/61/388674261.db2.gz NXGJEVRKEGZRQO-YUTCNCBUSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)Oc1ccccc1 ZINC000537987441 324648059 /nfs/dbraw/zinc/64/80/59/324648059.db2.gz MLXOJOFCEXVZNH-KBPBESRZSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCC1)Oc1ccccc1 ZINC000537987451 324647737 /nfs/dbraw/zinc/64/77/37/324647737.db2.gz MLXOJOFCEXVZNH-KGLIPLIRSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)C1CCCC1 ZINC000537987453 324647900 /nfs/dbraw/zinc/64/79/00/324647900.db2.gz MLXOJOFCEXVZNH-UONOGXRCSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1CCCC1)Oc1ccccc1 ZINC000537987457 388674678 /nfs/dbraw/zinc/67/46/78/388674678.db2.gz MLXOJOFCEXVZNH-ZIAGYGMSSA-N 1 0 247.382 3.622 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537990175 324647691 /nfs/dbraw/zinc/64/76/91/324647691.db2.gz FKXSMZRKXGTYMK-BLLLJJGKSA-N 1 0 247.382 3.946 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000537990177 388674487 /nfs/dbraw/zinc/67/44/87/388674487.db2.gz FKXSMZRKXGTYMK-LRDDRELGSA-N 1 0 247.382 3.946 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537990179 388674189 /nfs/dbraw/zinc/67/41/89/388674189.db2.gz FKXSMZRKXGTYMK-MLGOLLRUSA-N 1 0 247.382 3.946 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000537990181 324647835 /nfs/dbraw/zinc/64/78/35/324647835.db2.gz FKXSMZRKXGTYMK-WBMJQRKESA-N 1 0 247.382 3.946 20 0 BHADRO CC[C@H]([NH2+]CCSc1ccc(C)cc1)C1CC1 ZINC000537990530 388674092 /nfs/dbraw/zinc/67/40/92/388674092.db2.gz IAODOARQJKVVGA-HNNXBMFYSA-N 1 0 249.423 3.865 20 0 BHADRO CC[C@@H]([NH2+]CCSc1ccc(C)cc1)C1CC1 ZINC000537990532 324647741 /nfs/dbraw/zinc/64/77/41/324647741.db2.gz IAODOARQJKVVGA-OAHLLOKOSA-N 1 0 249.423 3.865 20 0 BHADRO CCC(C)(C)CC[NH+]1CCC(C)(COC)CC1 ZINC000537997084 388674447 /nfs/dbraw/zinc/67/44/47/388674447.db2.gz BZEPTEXIRZBJCJ-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@H](CSC)[N@H+](C)CC1CCCCC1 ZINC000537997597 388674538 /nfs/dbraw/zinc/67/45/38/388674538.db2.gz KDOQLALCVZOXQQ-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)CC1CCCCC1 ZINC000537997610 388674785 /nfs/dbraw/zinc/67/47/85/388674785.db2.gz KDOQLALCVZOXQQ-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000538001606 388675263 /nfs/dbraw/zinc/67/52/63/388675263.db2.gz CMOZIOMZGQTCDL-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000538001618 388675980 /nfs/dbraw/zinc/67/59/80/388675980.db2.gz CMOZIOMZGQTCDL-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1ccc(C[NH2+]CCc2sccc2C)o1 ZINC000538003205 388675942 /nfs/dbraw/zinc/67/59/42/388675942.db2.gz WSVUSAGVYXGRSX-UHFFFAOYSA-N 1 0 249.379 3.544 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1F ZINC000538017368 388675639 /nfs/dbraw/zinc/67/56/39/388675639.db2.gz DIUXGPNJUFFBIQ-GPCCPHFNSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1F ZINC000538017369 324650636 /nfs/dbraw/zinc/65/06/36/324650636.db2.gz DIUXGPNJUFFBIQ-RULNRJAQSA-N 1 0 239.309 3.804 20 0 BHADRO CC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCC1 ZINC000538019988 324651062 /nfs/dbraw/zinc/65/10/62/324651062.db2.gz VEUFCOHNORJHEY-INIZCTEOSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCC1 ZINC000538019989 388675950 /nfs/dbraw/zinc/67/59/50/388675950.db2.gz VEUFCOHNORJHEY-MRXNPFEDSA-N 1 0 243.394 3.788 20 0 BHADRO CCC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000538020755 324651147 /nfs/dbraw/zinc/65/11/47/324651147.db2.gz IWWICZGVBLMNDD-INIZCTEOSA-N 1 0 243.394 3.788 20 0 BHADRO CCC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000538020756 388675513 /nfs/dbraw/zinc/67/55/13/388675513.db2.gz IWWICZGVBLMNDD-MRXNPFEDSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C)CCC1 ZINC000538022510 324651986 /nfs/dbraw/zinc/65/19/86/324651986.db2.gz RVJYXIDMHVXYFT-DOMZBBRYSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C)CCC1 ZINC000538022511 388675135 /nfs/dbraw/zinc/67/51/35/388675135.db2.gz RVJYXIDMHVXYFT-IUODEOHRSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C)CCC1 ZINC000538022512 324652141 /nfs/dbraw/zinc/65/21/41/324652141.db2.gz RVJYXIDMHVXYFT-SWLSCSKDSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C)CCC1 ZINC000538022513 322828018 /nfs/dbraw/zinc/82/80/18/322828018.db2.gz RVJYXIDMHVXYFT-WFASDCNBSA-N 1 0 229.367 3.700 20 0 BHADRO Fc1cccc(C=C2CC[NH+](CC3CC3)CC2)c1 ZINC000538096727 388678619 /nfs/dbraw/zinc/67/86/19/388678619.db2.gz PITOUSDFXPOLCB-UHFFFAOYSA-N 1 0 245.341 3.715 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)N1CCC=C(F)C1 ZINC000538098477 388678150 /nfs/dbraw/zinc/67/81/50/388678150.db2.gz FZYUEJSWVROGPA-AWEZNQCLSA-N 1 0 237.293 3.836 20 0 BHADRO CC[C@H](c1ccc(F)cc1)N1CCC=C(F)C1 ZINC000538098478 388677632 /nfs/dbraw/zinc/67/76/32/388677632.db2.gz FZYUEJSWVROGPA-CQSZACIVSA-N 1 0 237.293 3.836 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000538113339 388678129 /nfs/dbraw/zinc/67/81/29/388678129.db2.gz QTHDZXVFNWHHOU-DZGCQCFKSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000538113340 388678254 /nfs/dbraw/zinc/67/82/54/388678254.db2.gz QTHDZXVFNWHHOU-HIFRSBDPSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)C(C)C)c1cccnc1 ZINC000538113342 324656089 /nfs/dbraw/zinc/65/60/89/324656089.db2.gz QTHDZXVFNWHHOU-UKRRQHHQSA-N 1 0 234.387 3.660 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000538113343 388676910 /nfs/dbraw/zinc/67/69/10/388676910.db2.gz QTHDZXVFNWHHOU-ZFWWWQNUSA-N 1 0 234.387 3.660 20 0 BHADRO Cc1cc([C@H]([NH2+]C2CC(C)C2)C2CC2)ccc1F ZINC000538113538 324656208 /nfs/dbraw/zinc/65/62/08/324656208.db2.gz VXCUVKDADLXPIY-DARSQCIJSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@@H]([NH2+]C2CC(C)C2)C2CC2)ccc1F ZINC000538113541 324656062 /nfs/dbraw/zinc/65/60/62/324656062.db2.gz VXCUVKDADLXPIY-QNBRKVGXSA-N 1 0 247.357 3.973 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000538113855 388677855 /nfs/dbraw/zinc/67/78/55/388677855.db2.gz NYJRIDWRDIEIPH-DVOMOZLQSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000538113856 324656204 /nfs/dbraw/zinc/65/62/04/324656204.db2.gz NYJRIDWRDIEIPH-HEHGZKQESA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000538113857 324656052 /nfs/dbraw/zinc/65/60/52/324656052.db2.gz NYJRIDWRDIEIPH-WWGRRREGSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000538113858 324656094 /nfs/dbraw/zinc/65/60/94/324656094.db2.gz NYJRIDWRDIEIPH-XEZPLFJOSA-N 1 0 246.398 3.873 20 0 BHADRO Cc1cc([C@@H]([NH2+]C2CCC2)C2CC2)ccc1F ZINC000538114298 388677641 /nfs/dbraw/zinc/67/76/41/388677641.db2.gz FFYUWPORMXVCDJ-HNNXBMFYSA-N 1 0 233.330 3.727 20 0 BHADRO Cc1cc([C@H]([NH2+]C2CCC2)C2CC2)ccc1F ZINC000538114299 324656056 /nfs/dbraw/zinc/65/60/56/324656056.db2.gz FFYUWPORMXVCDJ-OAHLLOKOSA-N 1 0 233.330 3.727 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000538116339 388677729 /nfs/dbraw/zinc/67/77/29/388677729.db2.gz LAHUYRCGDJFWTM-CHWSQXEVSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000538116340 324656161 /nfs/dbraw/zinc/65/61/61/324656161.db2.gz LAHUYRCGDJFWTM-OLZOCXBDSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000538116341 388678671 /nfs/dbraw/zinc/67/86/71/388678671.db2.gz LAHUYRCGDJFWTM-QWHCGFSZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000538116342 324655763 /nfs/dbraw/zinc/65/57/63/324655763.db2.gz LAHUYRCGDJFWTM-STQMWFEESA-N 1 0 246.398 3.873 20 0 BHADRO COc1ccc([C@@H]([NH2+]CC2(C)CC2)C(C)C)cc1 ZINC000538116778 388678610 /nfs/dbraw/zinc/67/86/10/388678610.db2.gz NGYHDBJACHZNFV-HNNXBMFYSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H]([NH2+]CC2(C)CC2)C(C)C)cc1 ZINC000538116779 388677770 /nfs/dbraw/zinc/67/77/70/388677770.db2.gz NGYHDBJACHZNFV-OAHLLOKOSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@@H]([NH2+]CCC2CC2)C(C)C)cc1 ZINC000538141319 324658274 /nfs/dbraw/zinc/65/82/74/324658274.db2.gz MTFNVZWZGXDPPA-INIZCTEOSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H]([NH2+]CCC2CC2)C(C)C)cc1 ZINC000538141322 388679279 /nfs/dbraw/zinc/67/92/79/388679279.db2.gz MTFNVZWZGXDPPA-MRXNPFEDSA-N 1 0 247.382 3.782 20 0 BHADRO c1ccc(C2([NH2+]CCC3CCCC3)CC2)cc1 ZINC000538158528 324659369 /nfs/dbraw/zinc/65/93/69/324659369.db2.gz DTNYYLRPYXASBQ-UHFFFAOYSA-N 1 0 229.367 3.846 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCOC(C)C)C(C)C ZINC000538158553 388679004 /nfs/dbraw/zinc/67/90/04/388679004.db2.gz GWTFIAZMGRGPRM-INIZCTEOSA-N 1 0 249.398 3.707 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCOC(C)C)C(C)C ZINC000538158554 388679022 /nfs/dbraw/zinc/67/90/22/388679022.db2.gz GWTFIAZMGRGPRM-MRXNPFEDSA-N 1 0 249.398 3.707 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CCC(C)C)c1 ZINC000538175325 388679168 /nfs/dbraw/zinc/67/91/68/388679168.db2.gz BKLQYUKGQFVIEK-CYBMUJFWSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CCC(C)C)c1 ZINC000538175330 324659023 /nfs/dbraw/zinc/65/90/23/324659023.db2.gz BKLQYUKGQFVIEK-ZDUSSCGKSA-N 1 0 235.371 3.782 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1ccc(F)cc1F ZINC000538187357 388680561 /nfs/dbraw/zinc/68/05/61/388680561.db2.gz HPAXDCDACUJCJP-AWEZNQCLSA-N 1 0 239.309 3.972 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1ccc(F)cc1F ZINC000538187375 388680046 /nfs/dbraw/zinc/68/00/46/388680046.db2.gz HPAXDCDACUJCJP-CQSZACIVSA-N 1 0 239.309 3.972 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000538193123 388680023 /nfs/dbraw/zinc/68/00/23/388680023.db2.gz UYHKDHOPFXULOE-QLFBSQMISA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000538193124 324660453 /nfs/dbraw/zinc/66/04/53/324660453.db2.gz UYHKDHOPFXULOE-RBSFLKMASA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000538193125 388679982 /nfs/dbraw/zinc/67/99/82/388679982.db2.gz UYHKDHOPFXULOE-RRFJBIMHSA-N 1 0 239.403 3.526 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000538193126 388680141 /nfs/dbraw/zinc/68/01/41/388680141.db2.gz UYHKDHOPFXULOE-SOUVJXGZSA-N 1 0 239.403 3.526 20 0 BHADRO c1ccc(C2([NH2+]C3CCCC3)CCCC2)cc1 ZINC000538194870 324660427 /nfs/dbraw/zinc/66/04/27/324660427.db2.gz MDNQQBYJPXEHGK-UHFFFAOYSA-N 1 0 229.367 3.988 20 0 BHADRO CC(C)([NH2+]CC1CCCC1)c1cccc(F)c1 ZINC000538213684 388680015 /nfs/dbraw/zinc/68/00/15/388680015.db2.gz KTFHNVKXFCJVND-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+][C@H]2C=CCCC2)c1 ZINC000538215371 324661451 /nfs/dbraw/zinc/66/14/51/324661451.db2.gz AJHFLEJDGQELJC-HNNXBMFYSA-N 1 0 229.367 3.928 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000538215372 324660953 /nfs/dbraw/zinc/66/09/53/324660953.db2.gz AJHFLEJDGQELJC-OAHLLOKOSA-N 1 0 229.367 3.928 20 0 BHADRO CC(C)(C)C[NH+](Cc1ccccn1)CC(C)(C)C ZINC000538219469 388681768 /nfs/dbraw/zinc/68/17/68/388681768.db2.gz LUHBBKCZIQJDCZ-UHFFFAOYSA-N 1 0 248.414 3.976 20 0 BHADRO COCCC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000538236770 388681329 /nfs/dbraw/zinc/68/13/29/388681329.db2.gz ZUAUTSJGZVUJNY-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000538236771 324663845 /nfs/dbraw/zinc/66/38/45/324663845.db2.gz ZUAUTSJGZVUJNY-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO CCCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000538257863 324664485 /nfs/dbraw/zinc/66/44/85/324664485.db2.gz PTFZDEVUAIJMQE-UHFFFAOYSA-N 1 0 239.309 3.734 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC000538261729 388682251 /nfs/dbraw/zinc/68/22/51/388682251.db2.gz XKNKKSJSMLZTCQ-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC000538261730 388682189 /nfs/dbraw/zinc/68/21/89/388682189.db2.gz XKNKKSJSMLZTCQ-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC000538261731 388682500 /nfs/dbraw/zinc/68/25/00/388682500.db2.gz XKNKKSJSMLZTCQ-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC000538261732 388682118 /nfs/dbraw/zinc/68/21/18/388682118.db2.gz XKNKKSJSMLZTCQ-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO CCCC[N@H+](CCCO)[C@@H](C)c1ccccc1C ZINC000538280238 388682103 /nfs/dbraw/zinc/68/21/03/388682103.db2.gz UCIUAZGBCYFLKR-HNNXBMFYSA-N 1 0 249.398 3.541 20 0 BHADRO CCCC[N@H+](CCCO)[C@H](C)c1ccccc1C ZINC000538280242 388682405 /nfs/dbraw/zinc/68/24/05/388682405.db2.gz UCIUAZGBCYFLKR-OAHLLOKOSA-N 1 0 249.398 3.541 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000538281779 388682391 /nfs/dbraw/zinc/68/23/91/388682391.db2.gz TWUHPUPTWVVYNJ-BFHYXJOUSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000538281780 388682604 /nfs/dbraw/zinc/68/26/04/388682604.db2.gz TWUHPUPTWVVYNJ-MCIONIFRSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000538281781 388682599 /nfs/dbraw/zinc/68/25/99/388682599.db2.gz TWUHPUPTWVVYNJ-MGPQQGTHSA-N 1 0 247.382 3.529 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000538281782 388682106 /nfs/dbraw/zinc/68/21/06/388682106.db2.gz TWUHPUPTWVVYNJ-MJBXVCDLSA-N 1 0 247.382 3.529 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)C1CCC1 ZINC000538284357 388682228 /nfs/dbraw/zinc/68/22/28/388682228.db2.gz XTZMJRYALSCWOA-CYBMUJFWSA-N 1 0 247.382 3.673 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)C1CCC1 ZINC000538284360 388682223 /nfs/dbraw/zinc/68/22/23/388682223.db2.gz XTZMJRYALSCWOA-ZDUSSCGKSA-N 1 0 247.382 3.673 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000538299648 388683104 /nfs/dbraw/zinc/68/31/04/388683104.db2.gz LVWKRGGYOZHVLN-AWEZNQCLSA-N 1 0 229.323 3.663 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000538299649 388683410 /nfs/dbraw/zinc/68/34/10/388683410.db2.gz LVWKRGGYOZHVLN-CQSZACIVSA-N 1 0 229.323 3.663 20 0 BHADRO CCCOc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000538299969 388683585 /nfs/dbraw/zinc/68/35/85/388683585.db2.gz CNJHAPCCSMYBPL-INIZCTEOSA-N 1 0 247.382 3.706 20 0 BHADRO CCCOc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000538299970 388683777 /nfs/dbraw/zinc/68/37/77/388683777.db2.gz CNJHAPCCSMYBPL-MRXNPFEDSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000538300307 388683285 /nfs/dbraw/zinc/68/32/85/388683285.db2.gz RPWUFXTVJXBMFO-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000538300308 388682823 /nfs/dbraw/zinc/68/28/23/388682823.db2.gz RPWUFXTVJXBMFO-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000538301505 388683072 /nfs/dbraw/zinc/68/30/72/388683072.db2.gz OOQNZCPGNHTKBX-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000538301507 388683271 /nfs/dbraw/zinc/68/32/71/388683271.db2.gz OOQNZCPGNHTKBX-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO CCCOc1ccc(C[N@@H+]2CC[C@H]2C(C)C)cc1 ZINC000538301514 388683246 /nfs/dbraw/zinc/68/32/46/388683246.db2.gz OVQAJCJEYGISMA-INIZCTEOSA-N 1 0 247.382 3.706 20 0 BHADRO CCCOc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)cc1 ZINC000538301517 388683278 /nfs/dbraw/zinc/68/32/78/388683278.db2.gz OVQAJCJEYGISMA-MRXNPFEDSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1C ZINC000538302231 388683067 /nfs/dbraw/zinc/68/30/67/388683067.db2.gz YRRGCLYQIUNLAO-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1C ZINC000538302232 388683755 /nfs/dbraw/zinc/68/37/55/388683755.db2.gz YRRGCLYQIUNLAO-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO COc1c(C)cc(C[N@@H+]2CC[C@H]2C(C)C)cc1C ZINC000538303696 388682905 /nfs/dbraw/zinc/68/29/05/388682905.db2.gz UQMGCSANLLTEIO-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO COc1c(C)cc(C[N@@H+]2CC[C@@H]2C(C)C)cc1C ZINC000538303697 388682765 /nfs/dbraw/zinc/68/27/65/388682765.db2.gz UQMGCSANLLTEIO-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[N@H+](CC(C)C)C[C@H](C)c1ccc(OC)cc1 ZINC000538305259 388683124 /nfs/dbraw/zinc/68/31/24/388683124.db2.gz DUWJJKKABSSDRI-AWEZNQCLSA-N 1 0 249.398 3.777 20 0 BHADRO CC[N@H+](CC(C)C)C[C@@H](C)c1ccc(OC)cc1 ZINC000538305261 388683430 /nfs/dbraw/zinc/68/34/30/388683430.db2.gz DUWJJKKABSSDRI-CQSZACIVSA-N 1 0 249.398 3.777 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000538305623 388683594 /nfs/dbraw/zinc/68/35/94/388683594.db2.gz VFIPQVMACIZMFQ-CYBMUJFWSA-N 1 0 241.737 3.709 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000538305860 517755746 /nfs/dbraw/zinc/75/57/46/517755746.db2.gz TYIMRLSDNSYDKM-GFCCVEGCSA-N 1 0 231.339 3.938 20 0 BHADRO CC[C@H](C)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000538305864 324667809 /nfs/dbraw/zinc/66/78/09/324667809.db2.gz TYIMRLSDNSYDKM-LBPRGKRZSA-N 1 0 231.339 3.938 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000538305905 388683717 /nfs/dbraw/zinc/68/37/17/388683717.db2.gz VFIPQVMACIZMFQ-ZDUSSCGKSA-N 1 0 241.737 3.709 20 0 BHADRO CCC[C@@H](C[N@H+](C)CC)c1ccccc1 ZINC000538306306 388683461 /nfs/dbraw/zinc/68/34/61/388683461.db2.gz OJEIEAHHEWCZQS-AWEZNQCLSA-N 1 0 205.345 3.522 20 0 BHADRO CCC[C@H](C[N@H+](C)CC)c1ccccc1 ZINC000538306308 388683712 /nfs/dbraw/zinc/68/37/12/388683712.db2.gz OJEIEAHHEWCZQS-CQSZACIVSA-N 1 0 205.345 3.522 20 0 BHADRO CCC[C@@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000538306509 388682965 /nfs/dbraw/zinc/68/29/65/388682965.db2.gz PSNOZACWJDZNPL-HNNXBMFYSA-N 1 0 243.350 3.953 20 0 BHADRO CCC[C@H](C[NH2+]Cc1ccco1)c1ccccc1 ZINC000538306512 388683498 /nfs/dbraw/zinc/68/34/98/388683498.db2.gz PSNOZACWJDZNPL-OAHLLOKOSA-N 1 0 243.350 3.953 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000538307063 388683062 /nfs/dbraw/zinc/68/30/62/388683062.db2.gz RVSKPDPAEPGJEZ-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000538307064 388682805 /nfs/dbraw/zinc/68/28/05/388682805.db2.gz RVSKPDPAEPGJEZ-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000538307309 388683332 /nfs/dbraw/zinc/68/33/32/388683332.db2.gz MVUQJZCANLPLNU-KBPBESRZSA-N 1 0 249.398 3.919 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000538307310 388683795 /nfs/dbraw/zinc/68/37/95/388683795.db2.gz MVUQJZCANLPLNU-KGLIPLIRSA-N 1 0 249.398 3.919 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000538307311 388683384 /nfs/dbraw/zinc/68/33/84/388683384.db2.gz MVUQJZCANLPLNU-UONOGXRCSA-N 1 0 249.398 3.919 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000538307312 388683083 /nfs/dbraw/zinc/68/30/83/388683083.db2.gz MVUQJZCANLPLNU-ZIAGYGMSSA-N 1 0 249.398 3.919 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000538307488 388683451 /nfs/dbraw/zinc/68/34/51/388683451.db2.gz ZPBWVLPLDIXHEE-GXTWGEPZSA-N 1 0 220.360 3.588 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000538307489 388683542 /nfs/dbraw/zinc/68/35/42/388683542.db2.gz ZPBWVLPLDIXHEE-JSGCOSHPSA-N 1 0 220.360 3.588 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000538307490 388683145 /nfs/dbraw/zinc/68/31/45/388683145.db2.gz ZPBWVLPLDIXHEE-OCCSQVGLSA-N 1 0 220.360 3.588 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000538307491 388683724 /nfs/dbraw/zinc/68/37/24/388683724.db2.gz ZPBWVLPLDIXHEE-TZMCWYRMSA-N 1 0 220.360 3.588 20 0 BHADRO CCC[C@H](C[N@H+](C)[C@H](C)COC)c1ccccc1 ZINC000538307899 388683388 /nfs/dbraw/zinc/68/33/88/388683388.db2.gz KSDUDJIMPDLUFZ-GDBMZVCRSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1 ZINC000538307902 388683629 /nfs/dbraw/zinc/68/36/29/388683629.db2.gz KSDUDJIMPDLUFZ-GOEBONIOSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1 ZINC000538307903 388684015 /nfs/dbraw/zinc/68/40/15/388684015.db2.gz KSDUDJIMPDLUFZ-HOCLYGCPSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@@H](C[N@H+](C)[C@H](C)COC)c1ccccc1 ZINC000538307905 388683994 /nfs/dbraw/zinc/68/39/94/388683994.db2.gz KSDUDJIMPDLUFZ-ZBFHGGJFSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000538308071 388684548 /nfs/dbraw/zinc/68/45/48/388684548.db2.gz PANKIUKNFRLTEP-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000538308074 388683925 /nfs/dbraw/zinc/68/39/25/388683925.db2.gz PANKIUKNFRLTEP-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000538308154 388684314 /nfs/dbraw/zinc/68/43/14/388684314.db2.gz NFWRYVRLKOBUHH-CYBMUJFWSA-N 1 0 205.345 3.555 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000538308155 388684191 /nfs/dbraw/zinc/68/41/91/388684191.db2.gz NFWRYVRLKOBUHH-ZDUSSCGKSA-N 1 0 205.345 3.555 20 0 BHADRO CC[NH+](CC)Cc1cccc(OCC(C)C)c1 ZINC000538308382 323086693 /nfs/dbraw/zinc/08/66/93/323086693.db2.gz QZGUMBPXZSNORD-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000538310168 388683973 /nfs/dbraw/zinc/68/39/73/388683973.db2.gz GRBYRHXHOQIEMZ-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538310191 324668964 /nfs/dbraw/zinc/66/89/64/324668964.db2.gz GRBYRHXHOQIEMZ-MXASKKJJSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538310193 388683920 /nfs/dbraw/zinc/68/39/20/388683920.db2.gz GRBYRHXHOQIEMZ-SIXLDLHFSA-N 1 0 243.394 3.958 20 0 BHADRO CCC[N@H+](CCCc1cccc(OC)c1)C1CC1 ZINC000538319798 388684432 /nfs/dbraw/zinc/68/44/32/388684432.db2.gz DGHJNAVQMHTANO-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO Cc1cc([C@@H]([NH2+]CCC2CC2)C2CC2)ccc1F ZINC000538322996 324671080 /nfs/dbraw/zinc/67/10/80/324671080.db2.gz JJHZQXXPBBVEMB-INIZCTEOSA-N 1 0 247.357 3.975 20 0 BHADRO Cc1cc([C@H]([NH2+]CCC2CC2)C2CC2)ccc1F ZINC000538322997 388684518 /nfs/dbraw/zinc/68/45/18/388684518.db2.gz JJHZQXXPBBVEMB-MRXNPFEDSA-N 1 0 247.357 3.975 20 0 BHADRO CCC[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000538324217 388683950 /nfs/dbraw/zinc/68/39/50/388683950.db2.gz CHWCATFRDJSMIZ-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[N@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000538324218 388684208 /nfs/dbraw/zinc/68/42/08/388684208.db2.gz CHWCATFRDJSMIZ-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccon1)C1CCCCC1 ZINC000538389305 388685985 /nfs/dbraw/zinc/68/59/85/388685985.db2.gz DHAVQWOUULPTFV-AWEZNQCLSA-N 1 0 236.359 3.513 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccon1)C1CCCCC1 ZINC000538389311 324674826 /nfs/dbraw/zinc/67/48/26/324674826.db2.gz DHAVQWOUULPTFV-CQSZACIVSA-N 1 0 236.359 3.513 20 0 BHADRO CCC[C@H]([NH2+]CCOC(C)C)C1CCCCC1 ZINC000538390134 324674422 /nfs/dbraw/zinc/67/44/22/324674422.db2.gz ODIVZRYQCZFXRZ-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+]CCOC(C)C)C1CCCCC1 ZINC000538390135 388686400 /nfs/dbraw/zinc/68/64/00/388686400.db2.gz ODIVZRYQCZFXRZ-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2C=CCCC2)C2CC2)cc1 ZINC000538390239 324674755 /nfs/dbraw/zinc/67/47/55/324674755.db2.gz OXQYJGGACLWOSN-CVEARBPZSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2C=CCCC2)C2CC2)cc1 ZINC000538390240 388686301 /nfs/dbraw/zinc/68/63/01/388686301.db2.gz OXQYJGGACLWOSN-HOTGVXAUSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CC2)cc1 ZINC000538390243 388686176 /nfs/dbraw/zinc/68/61/76/388686176.db2.gz OXQYJGGACLWOSN-HZPDHXFCSA-N 1 0 227.351 3.836 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2C=CCCC2)C2CC2)cc1 ZINC000538390244 324674719 /nfs/dbraw/zinc/67/47/19/324674719.db2.gz OXQYJGGACLWOSN-JKSUJKDBSA-N 1 0 227.351 3.836 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1ccno1)C(C)(C)C ZINC000538390645 388686148 /nfs/dbraw/zinc/68/61/48/388686148.db2.gz TYGXNRAFZAWBLX-CYBMUJFWSA-N 1 0 238.375 3.615 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1ccno1)C(C)(C)C ZINC000538390646 388686074 /nfs/dbraw/zinc/68/60/74/388686074.db2.gz TYGXNRAFZAWBLX-ZDUSSCGKSA-N 1 0 238.375 3.615 20 0 BHADRO CC(C)Cc1ccc([C@H]([NH2+]CCF)C2CC2)cc1 ZINC000538390769 384231610 /nfs/dbraw/zinc/23/16/10/384231610.db2.gz WKBIVRGIVPGAQD-INIZCTEOSA-N 1 0 249.373 3.895 20 0 BHADRO CC(C)Cc1ccc([C@@H]([NH2+]CCF)C2CC2)cc1 ZINC000538390770 384231875 /nfs/dbraw/zinc/23/18/75/384231875.db2.gz WKBIVRGIVPGAQD-MRXNPFEDSA-N 1 0 249.373 3.895 20 0 BHADRO CCSCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000538391737 324674724 /nfs/dbraw/zinc/67/47/24/324674724.db2.gz RKILZTFLLYWYAZ-HNNXBMFYSA-N 1 0 249.423 3.789 20 0 BHADRO CCSCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000538391738 388685630 /nfs/dbraw/zinc/68/56/30/388685630.db2.gz RKILZTFLLYWYAZ-OAHLLOKOSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC000538392718 388685721 /nfs/dbraw/zinc/68/57/21/388685721.db2.gz KCXPDSSHYICWKK-INIZCTEOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CC1CCC1)C1CC1 ZINC000538392719 324674951 /nfs/dbraw/zinc/67/49/51/324674951.db2.gz KCXPDSSHYICWKK-MRXNPFEDSA-N 1 0 229.367 3.836 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccno1)C1CCCCC1 ZINC000538393378 324674427 /nfs/dbraw/zinc/67/44/27/324674427.db2.gz WRDNSCFWUBYTOL-AWEZNQCLSA-N 1 0 236.359 3.513 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccno1)C1CCCCC1 ZINC000538393379 388686328 /nfs/dbraw/zinc/68/63/28/388686328.db2.gz WRDNSCFWUBYTOL-CQSZACIVSA-N 1 0 236.359 3.513 20 0 BHADRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C(C)C ZINC000538396058 388686208 /nfs/dbraw/zinc/68/62/08/388686208.db2.gz OBHYYZPTGVYWOL-CYBMUJFWSA-N 1 0 235.371 3.670 20 0 BHADRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C(C)C ZINC000538396059 388686138 /nfs/dbraw/zinc/68/61/38/388686138.db2.gz OBHYYZPTGVYWOL-ZDUSSCGKSA-N 1 0 235.371 3.670 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000538406900 324676046 /nfs/dbraw/zinc/67/60/46/324676046.db2.gz YSTQLEXGUUCNAX-CABCVRRESA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000538406901 388685706 /nfs/dbraw/zinc/68/57/06/388685706.db2.gz YSTQLEXGUUCNAX-GJZGRUSLSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000538406902 324675843 /nfs/dbraw/zinc/67/58/43/324675843.db2.gz YSTQLEXGUUCNAX-HUUCEWRRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000538406903 324675812 /nfs/dbraw/zinc/67/58/12/324675812.db2.gz YSTQLEXGUUCNAX-LSDHHAIUSA-N 1 0 232.371 3.701 20 0 BHADRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC000538409382 388685757 /nfs/dbraw/zinc/68/57/57/388685757.db2.gz NUJWOGATXGYHJX-GDBMZVCRSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C(C)C ZINC000538409383 324675854 /nfs/dbraw/zinc/67/58/54/324675854.db2.gz NUJWOGATXGYHJX-GOEBONIOSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C(C)C ZINC000538409385 388685902 /nfs/dbraw/zinc/68/59/02/388685902.db2.gz NUJWOGATXGYHJX-HOCLYGCPSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C(C)C ZINC000538409386 384312708 /nfs/dbraw/zinc/31/27/08/384312708.db2.gz NUJWOGATXGYHJX-ZBFHGGJFSA-N 1 0 247.382 3.683 20 0 BHADRO CCC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000538411050 388686863 /nfs/dbraw/zinc/68/68/63/388686863.db2.gz PMQIKSJBRQGFIN-CVEARBPZSA-N 1 0 243.394 3.960 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000538411053 324676821 /nfs/dbraw/zinc/67/68/21/324676821.db2.gz PMQIKSJBRQGFIN-HOTGVXAUSA-N 1 0 243.394 3.960 20 0 BHADRO CCC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000538411054 388687302 /nfs/dbraw/zinc/68/73/02/388687302.db2.gz PMQIKSJBRQGFIN-HZPDHXFCSA-N 1 0 243.394 3.960 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000538411055 322819668 /nfs/dbraw/zinc/81/96/68/322819668.db2.gz PMQIKSJBRQGFIN-JKSUJKDBSA-N 1 0 243.394 3.960 20 0 BHADRO CCC[C@@H](C[NH2+]CC(C)(C)OC)c1ccccc1 ZINC000538412714 324676713 /nfs/dbraw/zinc/67/67/13/324676713.db2.gz NIKSVNBBZHDBCT-HNNXBMFYSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](C[NH2+]CC(C)(C)OC)c1ccccc1 ZINC000538412715 324676605 /nfs/dbraw/zinc/67/66/05/324676605.db2.gz NIKSVNBBZHDBCT-OAHLLOKOSA-N 1 0 249.398 3.585 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000538417292 388689616 /nfs/dbraw/zinc/68/96/16/388689616.db2.gz NACUFZDPENVGAI-GFCCVEGCSA-N 1 0 237.387 3.935 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000538417296 324682984 /nfs/dbraw/zinc/68/29/84/324682984.db2.gz NACUFZDPENVGAI-LBPRGKRZSA-N 1 0 237.387 3.935 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000538419315 324682507 /nfs/dbraw/zinc/68/25/07/324682507.db2.gz IUMYKIHMJPJQLV-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000538419318 388689853 /nfs/dbraw/zinc/68/98/53/388689853.db2.gz IUMYKIHMJPJQLV-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(C)Cc2ccccc2C1 ZINC000538422238 324682572 /nfs/dbraw/zinc/68/25/72/324682572.db2.gz JMOVMTMBEQPMGF-CYBMUJFWSA-N 1 0 231.383 3.570 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(C)Cc2ccccc2C1 ZINC000538422242 324682497 /nfs/dbraw/zinc/68/24/97/324682497.db2.gz JMOVMTMBEQPMGF-ZDUSSCGKSA-N 1 0 231.383 3.570 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000538422509 388690120 /nfs/dbraw/zinc/69/01/20/388690120.db2.gz NHOAIIDBUBDJNT-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000538422511 324682567 /nfs/dbraw/zinc/68/25/67/324682567.db2.gz NHOAIIDBUBDJNT-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000538422512 324682860 /nfs/dbraw/zinc/68/28/60/324682860.db2.gz NHOAIIDBUBDJNT-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000538422514 388689776 /nfs/dbraw/zinc/68/97/76/388689776.db2.gz NHOAIIDBUBDJNT-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+]C1(C)Cc2ccccc2C1 ZINC000538422794 388689527 /nfs/dbraw/zinc/68/95/27/388689527.db2.gz RKUFBLGHAIIGHS-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CC(CC)CC ZINC000538454980 388691302 /nfs/dbraw/zinc/69/13/02/388691302.db2.gz YSKVVNQZDSQZII-GFCCVEGCSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CC(CC)CC ZINC000538454981 388691273 /nfs/dbraw/zinc/69/12/73/388691273.db2.gz YSKVVNQZDSQZII-LBPRGKRZSA-N 1 0 234.387 3.731 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]C1CCCC1 ZINC000538499038 388697038 /nfs/dbraw/zinc/69/70/38/388697038.db2.gz OWJAJLNNNKYUJV-UHFFFAOYSA-N 1 0 234.387 3.566 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)CC(C)C ZINC000538501754 324705158 /nfs/dbraw/zinc/70/51/58/324705158.db2.gz CJZMGINGMAGZOJ-AWEZNQCLSA-N 1 0 249.398 3.918 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](C)CC(C)C ZINC000538501755 324705225 /nfs/dbraw/zinc/70/52/25/324705225.db2.gz CJZMGINGMAGZOJ-CQSZACIVSA-N 1 0 249.398 3.918 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](CC)C(C)C ZINC000538502293 388698099 /nfs/dbraw/zinc/69/80/99/388698099.db2.gz JRRCMGXCSIYSFJ-HNNXBMFYSA-N 1 0 249.398 3.918 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](CC)C(C)C ZINC000538502294 324706282 /nfs/dbraw/zinc/70/62/82/324706282.db2.gz JRRCMGXCSIYSFJ-OAHLLOKOSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@H]([NH2+]CCOC1CCCCCC1)C(C)C ZINC000538502304 324705578 /nfs/dbraw/zinc/70/55/78/324705578.db2.gz KISWLMZJGGSYGY-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]([NH2+]CCOC1CCCCCC1)C(C)C ZINC000538502305 324706060 /nfs/dbraw/zinc/70/60/60/324706060.db2.gz KISWLMZJGGSYGY-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCCC1 ZINC000538511589 388699253 /nfs/dbraw/zinc/69/92/53/388699253.db2.gz XUHYEWVJZSFDIJ-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCCC1 ZINC000538511590 324708534 /nfs/dbraw/zinc/70/85/34/324708534.db2.gz XUHYEWVJZSFDIJ-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCCC1 ZINC000538511591 324709028 /nfs/dbraw/zinc/70/90/28/324709028.db2.gz XUHYEWVJZSFDIJ-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCCC1 ZINC000538511592 387931668 /nfs/dbraw/zinc/93/16/68/387931668.db2.gz XUHYEWVJZSFDIJ-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)C[C@H]1C[C@H]([NH2+]C2CCCCC2)CCO1 ZINC000538516204 324709500 /nfs/dbraw/zinc/70/95/00/324709500.db2.gz PAVACVKOFRAOJM-CABCVRRESA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CCO1 ZINC000538516205 324709609 /nfs/dbraw/zinc/70/96/09/324709609.db2.gz PAVACVKOFRAOJM-GJZGRUSLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CCO1 ZINC000538516206 324710088 /nfs/dbraw/zinc/71/00/88/324710088.db2.gz PAVACVKOFRAOJM-HUUCEWRRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CCO1 ZINC000538516207 388699672 /nfs/dbraw/zinc/69/96/72/388699672.db2.gz PAVACVKOFRAOJM-LSDHHAIUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000538524110 324711913 /nfs/dbraw/zinc/71/19/13/324711913.db2.gz BJONAVGHPAUIBI-AWEZNQCLSA-N 1 0 247.382 3.853 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000538524111 388700460 /nfs/dbraw/zinc/70/04/60/388700460.db2.gz BJONAVGHPAUIBI-CQSZACIVSA-N 1 0 247.382 3.853 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCOC(C)(C)C ZINC000538524302 324711950 /nfs/dbraw/zinc/71/19/50/324711950.db2.gz MECKULQYFXJCFI-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCOC(C)(C)C ZINC000538524303 324711789 /nfs/dbraw/zinc/71/17/89/324711789.db2.gz MECKULQYFXJCFI-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1(C)CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000538524848 388700352 /nfs/dbraw/zinc/70/03/52/388700352.db2.gz BVZMSIFVLXQEDY-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)C1CC1 ZINC000538546565 388701487 /nfs/dbraw/zinc/70/14/87/388701487.db2.gz NLBBMQRWECJFNF-INIZCTEOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)C1CC1 ZINC000538546566 324714650 /nfs/dbraw/zinc/71/46/50/324714650.db2.gz NLBBMQRWECJFNF-MRXNPFEDSA-N 1 0 246.398 3.657 20 0 BHADRO COCC1([NH2+][C@H](C)CCC2CCCCC2)CC1 ZINC000538550374 388701517 /nfs/dbraw/zinc/70/15/17/388701517.db2.gz XWFOKUKRGKUGNA-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COCC1([NH2+][C@@H](C)CCC2CCCCC2)CC1 ZINC000538550376 388701507 /nfs/dbraw/zinc/70/15/07/388701507.db2.gz XWFOKUKRGKUGNA-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+]C1(COC)CC1)C1CCCCC1 ZINC000538550470 388701686 /nfs/dbraw/zinc/70/16/86/388701686.db2.gz BNRHDAGEKTXIBC-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]C1(COC)CC1)C1CCCCC1 ZINC000538550472 388702026 /nfs/dbraw/zinc/70/20/26/388702026.db2.gz BNRHDAGEKTXIBC-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO COCC1([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000538551011 388702070 /nfs/dbraw/zinc/70/20/70/388702070.db2.gz IGFHYYODPBCGNY-CYBMUJFWSA-N 1 0 247.382 3.640 20 0 BHADRO COCC1([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000538551012 324715958 /nfs/dbraw/zinc/71/59/58/324715958.db2.gz IGFHYYODPBCGNY-ZDUSSCGKSA-N 1 0 247.382 3.640 20 0 BHADRO Fc1ccccc1C1([NH2+]C2CCCCC2)CC1 ZINC000538551690 388701720 /nfs/dbraw/zinc/70/17/20/388701720.db2.gz KMYDFHQCNKPKST-UHFFFAOYSA-N 1 0 233.330 3.737 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000538551984 388701709 /nfs/dbraw/zinc/70/17/09/388701709.db2.gz MLDGUBOEENUPPM-GFCCVEGCSA-N 1 0 235.346 3.983 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000538551986 388701444 /nfs/dbraw/zinc/70/14/44/388701444.db2.gz MLDGUBOEENUPPM-LBPRGKRZSA-N 1 0 235.346 3.983 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)C1CCCC1 ZINC000538552756 388701431 /nfs/dbraw/zinc/70/14/31/388701431.db2.gz VMDWWISSUNLWLG-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)C1CCCC1 ZINC000538552757 324716063 /nfs/dbraw/zinc/71/60/63/324716063.db2.gz VMDWWISSUNLWLG-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccoc1 ZINC000538553174 388701569 /nfs/dbraw/zinc/70/15/69/388701569.db2.gz BROFKRQCBCUDLE-LLVKDONJSA-N 1 0 245.297 3.759 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccoc1 ZINC000538553182 324715635 /nfs/dbraw/zinc/71/56/35/324715635.db2.gz BROFKRQCBCUDLE-NSHDSACASA-N 1 0 245.297 3.759 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000538553261 388701555 /nfs/dbraw/zinc/70/15/55/388701555.db2.gz DLWYTVWJPQIHSD-AWEZNQCLSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000538553263 388701447 /nfs/dbraw/zinc/70/14/47/388701447.db2.gz DLWYTVWJPQIHSD-CQSZACIVSA-N 1 0 243.394 3.848 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538553420 324715853 /nfs/dbraw/zinc/71/58/53/324715853.db2.gz GIDMMZXXENQIQO-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538553427 388701511 /nfs/dbraw/zinc/70/15/11/388701511.db2.gz GIDMMZXXENQIQO-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538553429 324713984 /nfs/dbraw/zinc/71/39/84/324713984.db2.gz GIDMMZXXENQIQO-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538553431 388701976 /nfs/dbraw/zinc/70/19/76/388701976.db2.gz GIDMMZXXENQIQO-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000538553509 388702011 /nfs/dbraw/zinc/70/20/11/388702011.db2.gz GROHILDRSFZABK-AWEZNQCLSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000538553511 324715882 /nfs/dbraw/zinc/71/58/82/324715882.db2.gz GROHILDRSFZABK-CQSZACIVSA-N 1 0 243.394 3.848 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000538553529 324714744 /nfs/dbraw/zinc/71/47/44/324714744.db2.gz HQKKMDRMHPUFEU-AWEZNQCLSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000538553537 388701581 /nfs/dbraw/zinc/70/15/81/388701581.db2.gz HQKKMDRMHPUFEU-CQSZACIVSA-N 1 0 247.769 3.860 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]C1(C2CC2)CC1 ZINC000538553666 388701498 /nfs/dbraw/zinc/70/14/98/388701498.db2.gz JPZSHDCHTLTMSY-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C1(C2CC2)CC1 ZINC000538553668 388701737 /nfs/dbraw/zinc/70/17/37/388701737.db2.gz JPZSHDCHTLTMSY-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO Fc1cccc(C2([NH2+]C3CCCCC3)CC2)c1 ZINC000538553677 388701662 /nfs/dbraw/zinc/70/16/62/388701662.db2.gz JZXAEZNVJUZRJU-UHFFFAOYSA-N 1 0 233.330 3.737 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1F ZINC000538553722 324715523 /nfs/dbraw/zinc/71/55/23/324715523.db2.gz LAGVPOVOPYJQLT-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1F ZINC000538553723 388701927 /nfs/dbraw/zinc/70/19/27/388701927.db2.gz LAGVPOVOPYJQLT-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000538553751 324716100 /nfs/dbraw/zinc/71/61/00/324716100.db2.gz LKTVQZWFEFILQJ-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000538553760 324715686 /nfs/dbraw/zinc/71/56/86/324715686.db2.gz LKTVQZWFEFILQJ-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]C1(C2CC2)CC1 ZINC000538553994 388702029 /nfs/dbraw/zinc/70/20/29/388702029.db2.gz OEOQNBOOZJOAKM-CYBMUJFWSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]C1(C2CC2)CC1 ZINC000538553995 388701796 /nfs/dbraw/zinc/70/17/96/388701796.db2.gz OEOQNBOOZJOAKM-ZDUSSCGKSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1CC1 ZINC000538554209 324715727 /nfs/dbraw/zinc/71/57/27/324715727.db2.gz RYIAXIJYKVPWKX-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1CC1 ZINC000538554210 324715738 /nfs/dbraw/zinc/71/57/38/324715738.db2.gz RYIAXIJYKVPWKX-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000538554227 388702020 /nfs/dbraw/zinc/70/20/20/388702020.db2.gz SEEBPDRDAVSDHN-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000538554228 388701598 /nfs/dbraw/zinc/70/15/98/388701598.db2.gz SEEBPDRDAVSDHN-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2ccccc2F)CC1 ZINC000538554286 388701495 /nfs/dbraw/zinc/70/14/95/388701495.db2.gz RXTDNEDNWKZMSP-GFCCVEGCSA-N 1 0 235.346 3.983 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2ccccc2F)CC1 ZINC000538554287 324715890 /nfs/dbraw/zinc/71/58/90/324715890.db2.gz RXTDNEDNWKZMSP-LBPRGKRZSA-N 1 0 235.346 3.983 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538554337 388702094 /nfs/dbraw/zinc/70/20/94/388702094.db2.gz VEQLSCAJDNYBFC-AWEZNQCLSA-N 1 0 235.346 3.983 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000538554338 388701750 /nfs/dbraw/zinc/70/17/50/388701750.db2.gz VEQLSCAJDNYBFC-CQSZACIVSA-N 1 0 235.346 3.983 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000538554454 324716067 /nfs/dbraw/zinc/71/60/67/324716067.db2.gz TWHMNHHZZYPWCB-AWEZNQCLSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000538554455 324716003 /nfs/dbraw/zinc/71/60/03/324716003.db2.gz TWHMNHHZZYPWCB-CQSZACIVSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1(C2CC2)CC1 ZINC000538554720 324716422 /nfs/dbraw/zinc/71/64/22/324716422.db2.gz WFEMVFDTIUVJHG-HNNXBMFYSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1(C2CC2)CC1 ZINC000538554722 388701870 /nfs/dbraw/zinc/70/18/70/388701870.db2.gz WFEMVFDTIUVJHG-OAHLLOKOSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc(F)ccc1F ZINC000538554866 324717157 /nfs/dbraw/zinc/71/71/57/324717157.db2.gz YEFVJZTYHDOCAC-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cc(F)ccc1F ZINC000538554867 324716649 /nfs/dbraw/zinc/71/66/49/324716649.db2.gz YEFVJZTYHDOCAC-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000538554872 388701891 /nfs/dbraw/zinc/70/18/91/388701891.db2.gz YIZRJIKTRJKFQW-CYBMUJFWSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000538554873 388701992 /nfs/dbraw/zinc/70/19/92/388701992.db2.gz YIZRJIKTRJKFQW-ZDUSSCGKSA-N 1 0 229.367 3.897 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000538567196 388702587 /nfs/dbraw/zinc/70/25/87/388702587.db2.gz QBBBSMHVLXVUPC-DZGCQCFKSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000538567197 388702798 /nfs/dbraw/zinc/70/27/98/388702798.db2.gz QBBBSMHVLXVUPC-HIFRSBDPSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000538567198 324716861 /nfs/dbraw/zinc/71/68/61/324716861.db2.gz QBBBSMHVLXVUPC-UKRRQHHQSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000538567199 324716813 /nfs/dbraw/zinc/71/68/13/324716813.db2.gz QBBBSMHVLXVUPC-ZFWWWQNUSA-N 1 0 229.367 3.844 20 0 BHADRO CCC1CCC([NH2+]C2(CC)CCOCC2)CC1 ZINC000538612193 388702614 /nfs/dbraw/zinc/70/26/14/388702614.db2.gz YOKUAELRNDFGLO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Clc1ccc(C[NH2+]C/C=C\c2ccccc2)o1 ZINC000538671652 324722546 /nfs/dbraw/zinc/72/25/46/324722546.db2.gz XCDLFKCQSHIVDZ-DAXSKMNVSA-N 1 0 247.725 3.736 20 0 BHADRO Clc1ccc(C[NH2+]C/C=C/c2ccccc2)o1 ZINC000538671653 324723105 /nfs/dbraw/zinc/72/31/05/324723105.db2.gz XCDLFKCQSHIVDZ-QPJJXVBHSA-N 1 0 247.725 3.736 20 0 BHADRO CCCc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000538691698 388705915 /nfs/dbraw/zinc/70/59/15/388705915.db2.gz OZHSEABHUUHUBT-HNNXBMFYSA-N 1 0 249.423 3.576 20 0 BHADRO CCCc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000538691699 388705250 /nfs/dbraw/zinc/70/52/50/388705250.db2.gz OZHSEABHUUHUBT-OAHLLOKOSA-N 1 0 249.423 3.576 20 0 BHADRO CCSCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000538707365 324728837 /nfs/dbraw/zinc/72/88/37/324728837.db2.gz APUKPYMQAZGAEH-HNNXBMFYSA-N 1 0 249.423 3.581 20 0 BHADRO CCSCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000538707369 324729393 /nfs/dbraw/zinc/72/93/93/324729393.db2.gz APUKPYMQAZGAEH-OAHLLOKOSA-N 1 0 249.423 3.581 20 0 BHADRO CC(C)[N@H+](CCCc1cccc(F)c1)CC1CC1 ZINC000538708709 388708102 /nfs/dbraw/zinc/70/81/02/388708102.db2.gz QDCLWPXIXWMWJS-UHFFFAOYSA-N 1 0 249.373 3.879 20 0 BHADRO CCCOc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000538716759 388710596 /nfs/dbraw/zinc/71/05/96/388710596.db2.gz CTYVWIBSXCEFRV-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO COc1ccc(C[N@H+](C(C)C)C2CCC2)cc1C ZINC000538717539 388711080 /nfs/dbraw/zinc/71/10/80/388711080.db2.gz IMJOXPMBSUHHLK-UHFFFAOYSA-N 1 0 247.382 3.767 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000538717766 346423519 /nfs/dbraw/zinc/42/35/19/346423519.db2.gz YLNSNALWRSOAEC-BFJAYTPKSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538717767 346423205 /nfs/dbraw/zinc/42/32/05/346423205.db2.gz YLNSNALWRSOAEC-CLWVCHIJSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538717768 346423216 /nfs/dbraw/zinc/42/32/16/346423216.db2.gz YLNSNALWRSOAEC-OCVGTWLNSA-N 1 0 229.367 3.520 20 0 BHADRO CC[N@H+](Cc1ccnc2ccccc12)C1CCC1 ZINC000538718408 388655442 /nfs/dbraw/zinc/65/54/42/388655442.db2.gz PNXAGGGXWCRIDJ-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1cccc(C)c1C)C(C)C ZINC000538718819 388662197 /nfs/dbraw/zinc/66/21/97/388662197.db2.gz PUFLMNCTVOMCOX-AWEZNQCLSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1cccc(C)c1C)C(C)C ZINC000538718820 388662392 /nfs/dbraw/zinc/66/23/92/388662392.db2.gz PUFLMNCTVOMCOX-CQSZACIVSA-N 1 0 249.398 3.549 20 0 BHADRO CCOc1ccc(C[N@H+](C(C)C)C2CCC2)cc1 ZINC000538718997 388710376 /nfs/dbraw/zinc/71/03/76/388710376.db2.gz DSKVYBOHHDDTSR-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000538719943 388710619 /nfs/dbraw/zinc/71/06/19/388710619.db2.gz URNLQPOGTKOAJJ-BBRMVZONSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000538719944 388710498 /nfs/dbraw/zinc/71/04/98/388710498.db2.gz URNLQPOGTKOAJJ-CJNGLKHVSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000538719945 388710297 /nfs/dbraw/zinc/71/02/97/388710297.db2.gz URNLQPOGTKOAJJ-CZUORRHYSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000538719946 388710474 /nfs/dbraw/zinc/71/04/74/388710474.db2.gz URNLQPOGTKOAJJ-XJKSGUPXSA-N 1 0 247.382 3.793 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1ccc(C)c(C)c1)C(C)C ZINC000538720407 388710193 /nfs/dbraw/zinc/71/01/93/388710193.db2.gz XBGUQKDHWHQFOI-HNNXBMFYSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1ccc(C)c(C)c1)C(C)C ZINC000538720408 388710575 /nfs/dbraw/zinc/71/05/75/388710575.db2.gz XBGUQKDHWHQFOI-OAHLLOKOSA-N 1 0 249.398 3.549 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000538720957 388711872 /nfs/dbraw/zinc/71/18/72/388711872.db2.gz HJEGBIUZERFGHB-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000538720958 388711722 /nfs/dbraw/zinc/71/17/22/388711722.db2.gz HJEGBIUZERFGHB-KGLIPLIRSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000538720959 388712458 /nfs/dbraw/zinc/71/24/58/388712458.db2.gz HJEGBIUZERFGHB-UONOGXRCSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000538720960 388711611 /nfs/dbraw/zinc/71/16/11/388711611.db2.gz HJEGBIUZERFGHB-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000538721592 388712024 /nfs/dbraw/zinc/71/20/24/388712024.db2.gz SWVSFEWSWHENQB-BBRMVZONSA-N 1 0 241.334 3.781 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000538721593 388712204 /nfs/dbraw/zinc/71/22/04/388712204.db2.gz SWVSFEWSWHENQB-CJNGLKHVSA-N 1 0 241.334 3.781 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc(Cl)o1 ZINC000538725059 388711560 /nfs/dbraw/zinc/71/15/60/388711560.db2.gz RVLBPDCEWZQYKW-JTQLQIEISA-N 1 0 229.751 3.801 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(Cl)o1 ZINC000538725060 388711663 /nfs/dbraw/zinc/71/16/63/388711663.db2.gz RVLBPDCEWZQYKW-SNVBAGLBSA-N 1 0 229.751 3.801 20 0 BHADRO c1csc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000538725314 388712220 /nfs/dbraw/zinc/71/22/20/388712220.db2.gz NRXPOMAGMNEADX-AWEZNQCLSA-N 1 0 243.375 3.565 20 0 BHADRO c1csc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000538725315 388712386 /nfs/dbraw/zinc/71/23/86/388712386.db2.gz NRXPOMAGMNEADX-CQSZACIVSA-N 1 0 243.375 3.565 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000538725724 388711959 /nfs/dbraw/zinc/71/19/59/388711959.db2.gz SCGWGNQIWNJDGI-KBPBESRZSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000538725725 388712247 /nfs/dbraw/zinc/71/22/47/388712247.db2.gz SCGWGNQIWNJDGI-OKILXGFUSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000538725726 388712086 /nfs/dbraw/zinc/71/20/86/388712086.db2.gz SCGWGNQIWNJDGI-ZIAGYGMSSA-N 1 0 247.382 3.562 20 0 BHADRO CCCOc1cccc(C[N@H+]2CC=C(C)CC2)c1 ZINC000538727390 388713796 /nfs/dbraw/zinc/71/37/96/388713796.db2.gz NTCSMXBRWYDAJD-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C)s1 ZINC000538727486 388713295 /nfs/dbraw/zinc/71/32/95/388713295.db2.gz UXJXSPVBRMELGX-CMPLNLGQSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C)s1 ZINC000538727487 388714000 /nfs/dbraw/zinc/71/40/00/388714000.db2.gz UXJXSPVBRMELGX-JQWIXIFHSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C)s1 ZINC000538727488 388712919 /nfs/dbraw/zinc/71/29/19/388712919.db2.gz UXJXSPVBRMELGX-PWSUYJOCSA-N 1 0 223.385 3.677 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C)s1 ZINC000538727489 388713816 /nfs/dbraw/zinc/71/38/16/388713816.db2.gz UXJXSPVBRMELGX-ZYHUDNBSSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1C ZINC000538727605 388713419 /nfs/dbraw/zinc/71/34/19/388713419.db2.gz GQVFUCQKZMMZDR-HOTGVXAUSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1C ZINC000538727606 388712908 /nfs/dbraw/zinc/71/29/08/388712908.db2.gz GQVFUCQKZMMZDR-HZPDHXFCSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1C ZINC000538727607 388713633 /nfs/dbraw/zinc/71/36/33/388713633.db2.gz GQVFUCQKZMMZDR-IYBDPMFKSA-N 1 0 229.367 3.535 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000538727862 388713134 /nfs/dbraw/zinc/71/31/34/388713134.db2.gz CMDMMWWSJWWBHT-CHWSQXEVSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000538727863 388713237 /nfs/dbraw/zinc/71/32/37/388713237.db2.gz CMDMMWWSJWWBHT-OLZOCXBDSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000538727864 388713186 /nfs/dbraw/zinc/71/31/86/388713186.db2.gz CMDMMWWSJWWBHT-QWHCGFSZSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CC[C@@H]1C ZINC000538727865 384035501 /nfs/dbraw/zinc/03/55/01/384035501.db2.gz CMDMMWWSJWWBHT-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cccc1F ZINC000538728189 388713847 /nfs/dbraw/zinc/71/38/47/388713847.db2.gz CJOIPBUWSBLXTJ-GHMZBOCLSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cccc1F ZINC000538728190 388713027 /nfs/dbraw/zinc/71/30/27/388713027.db2.gz CJOIPBUWSBLXTJ-MNOVXSKESA-N 1 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388728904 /nfs/dbraw/zinc/72/89/04/388728904.db2.gz PFNUZKLBIGHEAL-CWRNSKLLSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000538812915 388728993 /nfs/dbraw/zinc/72/89/93/388728993.db2.gz PFNUZKLBIGHEAL-IMJJTQAJSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000538812916 388728973 /nfs/dbraw/zinc/72/89/73/388728973.db2.gz PFNUZKLBIGHEAL-NUEKZKHPSA-N 1 0 243.394 3.911 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538813008 388728924 /nfs/dbraw/zinc/72/89/24/388728924.db2.gz VPBQZHKYHZWUDM-BMFZPTHFSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538813009 388729169 /nfs/dbraw/zinc/72/91/69/388729169.db2.gz VPBQZHKYHZWUDM-FVQBIDKESA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000538813010 384645309 /nfs/dbraw/zinc/64/53/09/384645309.db2.gz VPBQZHKYHZWUDM-VNQPRFMTSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]([N@H+](C)C/C=C\c1ccc(F)cc1)C1(C)CC1 ZINC000538813179 388729024 /nfs/dbraw/zinc/72/90/24/388729024.db2.gz FZMOQKMJSISMAZ-DSYXLKISSA-N 1 0 247.357 3.959 20 0 BHADRO C[C@H]([N@H+](C)C/C=C/c1ccc(F)cc1)C1(C)CC1 ZINC000538813180 388729020 /nfs/dbraw/zinc/72/90/20/388729020.db2.gz FZMOQKMJSISMAZ-IHVVCDCBSA-N 1 0 247.357 3.959 20 0 BHADRO C[C@@H]([N@H+](C)C/C=C/c1ccc(F)cc1)C1(C)CC1 ZINC000538813181 388728543 /nfs/dbraw/zinc/72/85/43/388728543.db2.gz FZMOQKMJSISMAZ-MUBLQREKSA-N 1 0 247.357 3.959 20 0 BHADRO C[C@H]([N@H+](C)C/C=C\c1ccc(F)cc1)C1(C)CC1 ZINC000538813182 388728867 /nfs/dbraw/zinc/72/88/67/388728867.db2.gz FZMOQKMJSISMAZ-ZFDPJTLLSA-N 1 0 247.357 3.959 20 0 BHADRO C[C@]1(F)CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000538823938 388730103 /nfs/dbraw/zinc/73/01/03/388730103.db2.gz SYDQSHFJKULTBZ-AWEZNQCLSA-N 1 0 249.354 3.835 20 0 BHADRO C[C@@]1(F)CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000538823939 388729392 /nfs/dbraw/zinc/72/93/92/388729392.db2.gz SYDQSHFJKULTBZ-CQSZACIVSA-N 1 0 249.354 3.835 20 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C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1cccnc1 ZINC000538867428 388736516 /nfs/dbraw/zinc/73/65/16/388736516.db2.gz CNWZOIVKNIPQDZ-ILXRZTDVSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1cccnc1 ZINC000538867429 324801583 /nfs/dbraw/zinc/80/15/83/324801583.db2.gz CNWZOIVKNIPQDZ-KKUMJFAQSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1cccnc1 ZINC000538867430 324801591 /nfs/dbraw/zinc/80/15/91/324801591.db2.gz CNWZOIVKNIPQDZ-QLFBSQMISA-N 1 0 246.398 3.949 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1cccnc1 ZINC000538867431 324801454 /nfs/dbraw/zinc/80/14/54/324801454.db2.gz CNWZOIVKNIPQDZ-SOUVJXGZSA-N 1 0 246.398 3.949 20 0 BHADRO Fc1ccc(CC2(C[NH2+]C3CCCC3)CC2)cc1 ZINC000538869023 388736851 /nfs/dbraw/zinc/73/68/51/388736851.db2.gz VIUMEDCIKKGTSX-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000538869587 324802643 /nfs/dbraw/zinc/80/26/43/324802643.db2.gz CYJOETUUHIZUPF-CYBMUJFWSA-N 1 0 249.373 3.783 20 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C[C@H](C[N@@H+]1CC[C@@H](C)C2(CCC2)C1)C(F)(F)F ZINC000538942873 388741755 /nfs/dbraw/zinc/74/17/55/388741755.db2.gz NHAJEEVBWOPTHW-GHMZBOCLSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C)C2(CCC2)C1)C(F)(F)F ZINC000538942885 388741856 /nfs/dbraw/zinc/74/18/56/388741856.db2.gz NHAJEEVBWOPTHW-MNOVXSKESA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C)C2(CCC2)C1)C(F)(F)F ZINC000538942886 388742257 /nfs/dbraw/zinc/74/22/57/388742257.db2.gz NHAJEEVBWOPTHW-QWRGUYRKSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)C2(CCC2)C1)C(F)(F)F ZINC000538942887 388742615 /nfs/dbraw/zinc/74/26/15/388742615.db2.gz NHAJEEVBWOPTHW-WDEREUQCSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH+]2CCC(C(F)F)CC2)C1 ZINC000538955133 388742156 /nfs/dbraw/zinc/74/21/56/388742156.db2.gz ZPFAMBHNSNETNW-NEPJUHHUSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH+]2CCC(C(F)F)CC2)C1 ZINC000538955135 388742725 /nfs/dbraw/zinc/74/27/25/388742725.db2.gz 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/nfs/dbraw/zinc/74/21/82/388742182.db2.gz RICJIOKCZOBDGW-WDEREUQCSA-N 1 0 237.309 3.982 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000538955639 388741861 /nfs/dbraw/zinc/74/18/61/388741861.db2.gz UBNVGVSXRZCABN-CMPLNLGQSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000538955641 388742261 /nfs/dbraw/zinc/74/22/61/388742261.db2.gz UBNVGVSXRZCABN-JQWIXIFHSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000538955642 388741806 /nfs/dbraw/zinc/74/18/06/388741806.db2.gz UBNVGVSXRZCABN-PWSUYJOCSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000538955643 388742623 /nfs/dbraw/zinc/74/26/23/388742623.db2.gz UBNVGVSXRZCABN-ZYHUDNBSSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1 ZINC000538955914 388741770 /nfs/dbraw/zinc/74/17/70/388741770.db2.gz LUTAGXCOCAYBPQ-BXUZGUMPSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1 ZINC000538955923 388742576 /nfs/dbraw/zinc/74/25/76/388742576.db2.gz LUTAGXCOCAYBPQ-FZMZJTMJSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1 ZINC000538955924 388742311 /nfs/dbraw/zinc/74/23/11/388742311.db2.gz LUTAGXCOCAYBPQ-RISCZKNCSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1 ZINC000538955925 388742393 /nfs/dbraw/zinc/74/23/93/388742393.db2.gz LUTAGXCOCAYBPQ-SMDDNHRTSA-N 1 0 221.319 3.589 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1F ZINC000538957277 388742213 /nfs/dbraw/zinc/74/22/13/388742213.db2.gz USSJPJKUJMULOF-GWCFXTLKSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1F ZINC000538957278 388741712 /nfs/dbraw/zinc/74/17/12/388741712.db2.gz USSJPJKUJMULOF-GXFFZTMASA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1F ZINC000538957279 388742023 /nfs/dbraw/zinc/74/20/23/388742023.db2.gz USSJPJKUJMULOF-MFKMUULPSA-N 1 0 239.309 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1F ZINC000538957280 388742745 /nfs/dbraw/zinc/74/27/45/388742745.db2.gz USSJPJKUJMULOF-ZWNOBZJWSA-N 1 0 239.309 3.728 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCCC12CCCCC2 ZINC000538959951 388741840 /nfs/dbraw/zinc/74/18/40/388741840.db2.gz BTJHKSUQNREXOX-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000538964509 388742693 /nfs/dbraw/zinc/74/26/93/388742693.db2.gz DAXFOLPDXOLHIJ-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000538964510 388742339 /nfs/dbraw/zinc/74/23/39/388742339.db2.gz DAXFOLPDXOLHIJ-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000538966603 388743834 /nfs/dbraw/zinc/74/38/34/388743834.db2.gz UHQBZDVIJTTZFL-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccnc1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000538966604 388743055 /nfs/dbraw/zinc/74/30/55/388743055.db2.gz UHQBZDVIJTTZFL-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000538966793 324816565 /nfs/dbraw/zinc/81/65/65/324816565.db2.gz FRQQKXGUTDIKKA-BBRMVZONSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000538966794 388742986 /nfs/dbraw/zinc/74/29/86/388742986.db2.gz FRQQKXGUTDIKKA-CJNGLKHVSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000538966795 324816354 /nfs/dbraw/zinc/81/63/54/324816354.db2.gz FRQQKXGUTDIKKA-CZUORRHYSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000538966796 324816750 /nfs/dbraw/zinc/81/67/50/324816750.db2.gz FRQQKXGUTDIKKA-XJKSGUPXSA-N 1 0 231.383 3.643 20 0 BHADRO CCCC1CCC(C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000538967286 324817497 /nfs/dbraw/zinc/81/74/97/324817497.db2.gz GGXJEIACBYJOJF-HSBZDZAISA-N 1 0 249.402 3.667 20 0 BHADRO CCCC1CCC(C[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000538967288 388743641 /nfs/dbraw/zinc/74/36/41/388743641.db2.gz GGXJEIACBYJOJF-IYXRBSQSSA-N 1 0 249.402 3.667 20 0 BHADRO Fc1ccc(CC[N@H+](C2CC2)C2CCCC2)cc1 ZINC000538967325 388743350 /nfs/dbraw/zinc/74/33/50/388743350.db2.gz FHUTYMCJPWMXFH-UHFFFAOYSA-N 1 0 247.357 3.775 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000538968550 388742957 /nfs/dbraw/zinc/74/29/57/388742957.db2.gz TYABJTZYLUFUBB-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000538968562 388743177 /nfs/dbraw/zinc/74/31/77/388743177.db2.gz TYABJTZYLUFUBB-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000538968564 388743099 /nfs/dbraw/zinc/74/30/99/388743099.db2.gz TYABJTZYLUFUBB-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000538968566 388743863 /nfs/dbraw/zinc/74/38/63/388743863.db2.gz TYABJTZYLUFUBB-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000538968719 388743035 /nfs/dbraw/zinc/74/30/35/388743035.db2.gz VNCDUAUCUAKPNM-HNNXBMFYSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000538968730 388743092 /nfs/dbraw/zinc/74/30/92/388743092.db2.gz VNCDUAUCUAKPNM-OAHLLOKOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCOCc1ccccc1C[NH2+]C[C@@H](C)CC ZINC000538969597 388743615 /nfs/dbraw/zinc/74/36/15/388743615.db2.gz MRXYZJJWJWMRCK-AWEZNQCLSA-N 1 0 249.398 3.749 20 0 BHADRO CCCOCc1ccccc1C[NH2+]C[C@H](C)CC ZINC000538969600 324817536 /nfs/dbraw/zinc/81/75/36/324817536.db2.gz MRXYZJJWJWMRCK-CQSZACIVSA-N 1 0 249.398 3.749 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@H](C)c1ccc(OC)cc1 ZINC000538969802 324817218 /nfs/dbraw/zinc/81/72/18/324817218.db2.gz TUPSCUBCQBVZQR-KBPBESRZSA-N 1 0 249.398 3.825 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@H](C)c1ccc(OC)cc1 ZINC000538969803 324817510 /nfs/dbraw/zinc/81/75/10/324817510.db2.gz TUPSCUBCQBVZQR-KGLIPLIRSA-N 1 0 249.398 3.825 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@@H](C)c1ccc(OC)cc1 ZINC000538969804 388743805 /nfs/dbraw/zinc/74/38/05/388743805.db2.gz TUPSCUBCQBVZQR-UONOGXRCSA-N 1 0 249.398 3.825 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@@H](C)c1ccc(OC)cc1 ZINC000538969805 324817538 /nfs/dbraw/zinc/81/75/38/324817538.db2.gz TUPSCUBCQBVZQR-ZIAGYGMSSA-N 1 0 249.398 3.825 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@H+](C)C1CCCC1 ZINC000538970095 388743418 /nfs/dbraw/zinc/74/34/18/388743418.db2.gz WPMWSBBEZUUOIO-JTQLQIEISA-N 1 0 239.309 3.900 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@H+](C)C1CCCC1 ZINC000538970096 388743556 /nfs/dbraw/zinc/74/35/56/388743556.db2.gz WPMWSBBEZUUOIO-SNVBAGLBSA-N 1 0 239.309 3.900 20 0 BHADRO CC[C@@H](C)C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000538970592 324817047 /nfs/dbraw/zinc/81/70/47/324817047.db2.gz ZICAQRHEEMZWQG-GFCCVEGCSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@H](C)C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000538970593 324817212 /nfs/dbraw/zinc/81/72/12/324817212.db2.gz ZICAQRHEEMZWQG-LBPRGKRZSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1(c2ccccc2C)CC1 ZINC000538970597 388742903 /nfs/dbraw/zinc/74/29/03/388742903.db2.gz MYIPEAPSQIQZFD-CYBMUJFWSA-N 1 0 231.383 3.662 20 0 BHADRO CC[C@H](C)C[NH2+]CC1(c2ccccc2C)CC1 ZINC000538970603 388743323 /nfs/dbraw/zinc/74/33/23/388743323.db2.gz MYIPEAPSQIQZFD-ZDUSSCGKSA-N 1 0 231.383 3.662 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)CC)c1 ZINC000538971716 324817402 /nfs/dbraw/zinc/81/74/02/324817402.db2.gz NBFUYFYAZWPMPM-CHWSQXEVSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C[C@H](C)CC)c1 ZINC000538971717 324816478 /nfs/dbraw/zinc/81/64/78/324816478.db2.gz NBFUYFYAZWPMPM-OLZOCXBDSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)CC)c1 ZINC000538971718 324816262 /nfs/dbraw/zinc/81/62/62/324816262.db2.gz NBFUYFYAZWPMPM-QWHCGFSZSA-N 1 0 235.371 3.782 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)CC)c1 ZINC000538971719 388741952 /nfs/dbraw/zinc/74/19/52/388741952.db2.gz NBFUYFYAZWPMPM-STQMWFEESA-N 1 0 235.371 3.782 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000538979517 388743853 /nfs/dbraw/zinc/74/38/53/388743853.db2.gz YIEAJJBRKMMEJQ-HNNXBMFYSA-N 1 0 233.330 3.905 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000538979523 388743440 /nfs/dbraw/zinc/74/34/40/388743440.db2.gz YIEAJJBRKMMEJQ-OAHLLOKOSA-N 1 0 233.330 3.905 20 0 BHADRO C[N@H+](C1CCCC1)[C@H]1CCCc2ccccc21 ZINC000538980281 388743720 /nfs/dbraw/zinc/74/37/20/388743720.db2.gz PSBTXBNMXFFFPE-INIZCTEOSA-N 1 0 229.367 3.938 20 0 BHADRO C[N@H+](C1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000538980284 388743796 /nfs/dbraw/zinc/74/37/96/388743796.db2.gz PSBTXBNMXFFFPE-MRXNPFEDSA-N 1 0 229.367 3.938 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cnccc1C)C(C)(C)C ZINC000538985016 388743774 /nfs/dbraw/zinc/74/37/74/388743774.db2.gz RKGZGWXQJRLEPE-GXTWGEPZSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnccc1C)C(C)(C)C ZINC000538985023 388743759 /nfs/dbraw/zinc/74/37/59/388743759.db2.gz RKGZGWXQJRLEPE-JSGCOSHPSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnccc1C)C(C)(C)C ZINC000538985025 388743692 /nfs/dbraw/zinc/74/36/92/388743692.db2.gz RKGZGWXQJRLEPE-OCCSQVGLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cnccc1C)C(C)(C)C ZINC000538985026 388743567 /nfs/dbraw/zinc/74/35/67/388743567.db2.gz RKGZGWXQJRLEPE-TZMCWYRMSA-N 1 0 234.387 3.865 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000539036795 324820686 /nfs/dbraw/zinc/82/06/86/324820686.db2.gz CUOAMGTULIRXMF-AWEZNQCLSA-N 1 0 241.419 3.510 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000539036798 388745173 /nfs/dbraw/zinc/74/51/73/388745173.db2.gz CUOAMGTULIRXMF-CQSZACIVSA-N 1 0 241.419 3.510 20 0 BHADRO CCC(CC)(CO)C[NH2+][C@@H](C)CCC=C(C)C ZINC000539039494 324820534 /nfs/dbraw/zinc/82/05/34/324820534.db2.gz CQCDOYOSWCHZIA-AWEZNQCLSA-N 1 0 241.419 3.510 20 0 BHADRO CCC(CC)(CO)C[NH2+][C@H](C)CCC=C(C)C ZINC000539039495 388745027 /nfs/dbraw/zinc/74/50/27/388745027.db2.gz CQCDOYOSWCHZIA-CQSZACIVSA-N 1 0 241.419 3.510 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000539042465 324820591 /nfs/dbraw/zinc/82/05/91/324820591.db2.gz AJPXBQODYLGJFZ-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000539042466 388745580 /nfs/dbraw/zinc/74/55/80/388745580.db2.gz AJPXBQODYLGJFZ-BYNSBNAKSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000539042467 324820303 /nfs/dbraw/zinc/82/03/03/324820303.db2.gz AJPXBQODYLGJFZ-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000539042468 324820545 /nfs/dbraw/zinc/82/05/45/324820545.db2.gz AJPXBQODYLGJFZ-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@@H]1CCCO1 ZINC000539043939 324821277 /nfs/dbraw/zinc/82/12/77/324821277.db2.gz YTUQRMWBNPORAS-ILXRZTDVSA-N 1 0 239.403 3.669 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@H]1CCCO1 ZINC000539043940 324821436 /nfs/dbraw/zinc/82/14/36/324821436.db2.gz YTUQRMWBNPORAS-QLFBSQMISA-N 1 0 239.403 3.669 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000539044156 324821146 /nfs/dbraw/zinc/82/11/46/324821146.db2.gz JYAAUHAXDSLXHR-BLLLJJGKSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000539044157 388745407 /nfs/dbraw/zinc/74/54/07/388745407.db2.gz JYAAUHAXDSLXHR-LRDDRELGSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccoc1 ZINC000539044158 388745607 /nfs/dbraw/zinc/74/56/07/388745607.db2.gz JYAAUHAXDSLXHR-MLGOLLRUSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccoc1 ZINC000539044159 388745592 /nfs/dbraw/zinc/74/55/92/388745592.db2.gz JYAAUHAXDSLXHR-WBMJQRKESA-N 1 0 241.334 3.926 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000539044444 324821282 /nfs/dbraw/zinc/82/12/82/324821282.db2.gz MKHIAVQTYBCIIQ-APIJFGDWSA-N 1 0 239.403 3.667 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000539044446 324821005 /nfs/dbraw/zinc/82/10/05/324821005.db2.gz MKHIAVQTYBCIIQ-XQLPTFJDSA-N 1 0 239.403 3.667 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000539046060 388745398 /nfs/dbraw/zinc/74/53/98/388745398.db2.gz HBLAVRNMNRYQQM-CHWSQXEVSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000539046061 388745595 /nfs/dbraw/zinc/74/55/95/388745595.db2.gz HBLAVRNMNRYQQM-OLZOCXBDSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC1CCCCC1)c1cn[nH]c1 ZINC000539046062 324821517 /nfs/dbraw/zinc/82/15/17/324821517.db2.gz HBLAVRNMNRYQQM-QWHCGFSZSA-N 1 0 249.402 3.809 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000539046063 388745649 /nfs/dbraw/zinc/74/56/49/388745649.db2.gz HBLAVRNMNRYQQM-STQMWFEESA-N 1 0 249.402 3.809 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC(F)(F)CC1 ZINC000539049298 324821262 /nfs/dbraw/zinc/82/12/62/324821262.db2.gz NQQOPRACOCEOQJ-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000539049299 388744923 /nfs/dbraw/zinc/74/49/23/388744923.db2.gz NQQOPRACOCEOQJ-PJXYFTJBSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC(F)(F)CC1 ZINC000539049301 388745163 /nfs/dbraw/zinc/74/51/63/388745163.db2.gz NQQOPRACOCEOQJ-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO COc1cccc(C(C)(C)C[NH2+][C@H](C)C(C)C)c1 ZINC000539052872 322907445 /nfs/dbraw/zinc/90/74/45/322907445.db2.gz ACIRBBPSGWWJDT-CYBMUJFWSA-N 1 0 249.398 3.607 20 0 BHADRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)C(C)C)c1 ZINC000539052874 384187396 /nfs/dbraw/zinc/18/73/96/384187396.db2.gz ACIRBBPSGWWJDT-ZDUSSCGKSA-N 1 0 249.398 3.607 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000539054217 324822352 /nfs/dbraw/zinc/82/23/52/324822352.db2.gz YNMPXKJMHBQIRI-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000539054230 324822307 /nfs/dbraw/zinc/82/23/07/324822307.db2.gz YNMPXKJMHBQIRI-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1CC1)Oc1ccccc1C ZINC000539056702 324822349 /nfs/dbraw/zinc/82/23/49/324822349.db2.gz WQFKNCLOJGHLDO-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1CC1)Oc1ccccc1C ZINC000539056703 324822267 /nfs/dbraw/zinc/82/22/67/324822267.db2.gz WQFKNCLOJGHLDO-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000539057908 388745884 /nfs/dbraw/zinc/74/58/84/388745884.db2.gz FHAMAVFWTKRUMY-AWEZNQCLSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000539057909 324822246 /nfs/dbraw/zinc/82/22/46/324822246.db2.gz FHAMAVFWTKRUMY-CQSZACIVSA-N 1 0 239.403 3.647 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000539057979 388746157 /nfs/dbraw/zinc/74/61/57/388746157.db2.gz GJPVCLBQTUKVHC-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000539057982 324822291 /nfs/dbraw/zinc/82/22/91/324822291.db2.gz GJPVCLBQTUKVHC-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CC[C@H]([NH2+]CCc1c(C)cccc1C)C1CC1 ZINC000539058089 324822205 /nfs/dbraw/zinc/82/22/05/324822205.db2.gz FBDPZTKMMLJATJ-INIZCTEOSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@@H]([NH2+]CCc1c(C)cccc1C)C1CC1 ZINC000539058090 324822344 /nfs/dbraw/zinc/82/23/44/324822344.db2.gz FBDPZTKMMLJATJ-MRXNPFEDSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC000539059242 388746146 /nfs/dbraw/zinc/74/61/46/388746146.db2.gz APCHTHXSVLUDFB-HZSPNIEDSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC000539059244 324822236 /nfs/dbraw/zinc/82/22/36/324822236.db2.gz APCHTHXSVLUDFB-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC000539059245 388746092 /nfs/dbraw/zinc/74/60/92/388746092.db2.gz APCHTHXSVLUDFB-MELADBBJSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC000539059247 324822342 /nfs/dbraw/zinc/82/23/42/324822342.db2.gz APCHTHXSVLUDFB-RDBSUJKOSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000539059708 388746492 /nfs/dbraw/zinc/74/64/92/388746492.db2.gz DMNURHAGJOKWLU-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000539059711 324822009 /nfs/dbraw/zinc/82/20/09/324822009.db2.gz DMNURHAGJOKWLU-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000539059714 324822288 /nfs/dbraw/zinc/82/22/88/324822288.db2.gz DMNURHAGJOKWLU-MELADBBJSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000539059716 324822341 /nfs/dbraw/zinc/82/23/41/324822341.db2.gz DMNURHAGJOKWLU-MJBXVCDLSA-N 1 0 241.419 3.604 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000539061112 388746483 /nfs/dbraw/zinc/74/64/83/388746483.db2.gz YTZVYRPKGBAGRJ-FPMFFAJLSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000539061113 388746338 /nfs/dbraw/zinc/74/63/38/388746338.db2.gz YTZVYRPKGBAGRJ-IACUBPJLSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000539061115 384193409 /nfs/dbraw/zinc/19/34/09/384193409.db2.gz YTZVYRPKGBAGRJ-UBHSHLNASA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000539061116 384194522 /nfs/dbraw/zinc/19/45/22/384194522.db2.gz YTZVYRPKGBAGRJ-YUTCNCBUSA-N 1 0 249.402 3.592 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1C)CO2 ZINC000539061735 324822311 /nfs/dbraw/zinc/82/23/11/324822311.db2.gz NWQLLXITYQMHIZ-AEGPPILISA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C)CO2 ZINC000539061736 388746477 /nfs/dbraw/zinc/74/64/77/388746477.db2.gz NWQLLXITYQMHIZ-BPLDGKMQSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)CO2 ZINC000539061737 388746350 /nfs/dbraw/zinc/74/63/50/388746350.db2.gz NWQLLXITYQMHIZ-NWANDNLSSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1C)CO2 ZINC000539061738 388746427 /nfs/dbraw/zinc/74/64/27/388746427.db2.gz NWQLLXITYQMHIZ-VHDGCEQUSA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CC1 ZINC000539061803 388746449 /nfs/dbraw/zinc/74/64/49/388746449.db2.gz YYNLKLKYZGMABN-INIZCTEOSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CC1 ZINC000539061804 324822167 /nfs/dbraw/zinc/82/21/67/324822167.db2.gz YYNLKLKYZGMABN-MRXNPFEDSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000539066705 324823162 /nfs/dbraw/zinc/82/31/62/324823162.db2.gz UTJIYNISQIRDSV-AAEUAGOBSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000539066709 388747252 /nfs/dbraw/zinc/74/72/52/388747252.db2.gz UTJIYNISQIRDSV-DGCLKSJQSA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000539066711 388747057 /nfs/dbraw/zinc/74/70/57/388747057.db2.gz UTJIYNISQIRDSV-WCQYABFASA-N 1 0 235.371 3.528 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000539066712 388745928 /nfs/dbraw/zinc/74/59/28/388745928.db2.gz UTJIYNISQIRDSV-YPMHNXCESA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000539067072 324823157 /nfs/dbraw/zinc/82/31/57/324823157.db2.gz SARODWWQTNFNDH-AWEZNQCLSA-N 1 0 249.398 3.739 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000539067073 388747063 /nfs/dbraw/zinc/74/70/63/388747063.db2.gz SARODWWQTNFNDH-CQSZACIVSA-N 1 0 249.398 3.739 20 0 BHADRO COCCC[C@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000539069950 324822778 /nfs/dbraw/zinc/82/27/78/324822778.db2.gz AZXDFOOJWQUFOA-AWEZNQCLSA-N 1 0 243.435 3.852 20 0 BHADRO COCCC[C@@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000539069951 324823033 /nfs/dbraw/zinc/82/30/33/324823033.db2.gz AZXDFOOJWQUFOA-CQSZACIVSA-N 1 0 243.435 3.852 20 0 BHADRO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC1CC1 ZINC000539070853 324823160 /nfs/dbraw/zinc/82/31/60/324823160.db2.gz PVIRBWFWDDKUAN-HNNXBMFYSA-N 1 0 245.366 3.680 20 0 BHADRO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC1CC1 ZINC000539070854 324823155 /nfs/dbraw/zinc/82/31/55/324823155.db2.gz PVIRBWFWDDKUAN-OAHLLOKOSA-N 1 0 245.366 3.680 20 0 BHADRO C[C@@H]([NH2+]CCCSc1ccccc1)C1(C)CC1 ZINC000539071215 388746762 /nfs/dbraw/zinc/74/67/62/388746762.db2.gz GMQVMQCGHKDYST-CYBMUJFWSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@H]([NH2+]CCCSc1ccccc1)C1(C)CC1 ZINC000539071233 388747369 /nfs/dbraw/zinc/74/73/69/388747369.db2.gz GMQVMQCGHKDYST-ZDUSSCGKSA-N 1 0 249.423 3.947 20 0 BHADRO CCC[C@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000539071433 388746977 /nfs/dbraw/zinc/74/69/77/388746977.db2.gz HTVOOFSURBIDPE-AWEZNQCLSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000539071434 324822707 /nfs/dbraw/zinc/82/27/07/324822707.db2.gz HTVOOFSURBIDPE-CQSZACIVSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccc2c(c1)COC2 ZINC000539073327 324822872 /nfs/dbraw/zinc/82/28/72/324822872.db2.gz QAOQNQPMEKLSRW-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccc2c(c1)COC2 ZINC000539073328 388747349 /nfs/dbraw/zinc/74/73/49/388747349.db2.gz QAOQNQPMEKLSRW-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000539074278 324823116 /nfs/dbraw/zinc/82/31/16/324823116.db2.gz KTZNYFSZLDZXEC-PBHICJAKSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000539074279 324822699 /nfs/dbraw/zinc/82/26/99/324822699.db2.gz KTZNYFSZLDZXEC-RHSMWYFYSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000539074280 388746925 /nfs/dbraw/zinc/74/69/25/388746925.db2.gz KTZNYFSZLDZXEC-WMLDXEAASA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000539074281 324823057 /nfs/dbraw/zinc/82/30/57/324823057.db2.gz KTZNYFSZLDZXEC-YOEHRIQHSA-N 1 0 243.394 3.570 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CCCC1CC1)CC2 ZINC000539074347 388746810 /nfs/dbraw/zinc/74/68/10/388746810.db2.gz WVCOJOMOMUMVSG-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CCCC1CC1)CC2 ZINC000539074348 388747334 /nfs/dbraw/zinc/74/73/34/388747334.db2.gz WVCOJOMOMUMVSG-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000539075374 324823808 /nfs/dbraw/zinc/82/38/08/324823808.db2.gz DOQMLBZBBICFMF-KBPBESRZSA-N 1 0 248.414 3.982 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000539075379 388746905 /nfs/dbraw/zinc/74/69/05/388746905.db2.gz DOQMLBZBBICFMF-KGLIPLIRSA-N 1 0 248.414 3.982 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000539075380 324823936 /nfs/dbraw/zinc/82/39/36/324823936.db2.gz DOQMLBZBBICFMF-UONOGXRCSA-N 1 0 248.414 3.982 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000539075381 324823431 /nfs/dbraw/zinc/82/34/31/324823431.db2.gz DOQMLBZBBICFMF-ZIAGYGMSSA-N 1 0 248.414 3.982 20 0 BHADRO CC[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000539075572 324823780 /nfs/dbraw/zinc/82/37/80/324823780.db2.gz IGPJVQSUUOWWAY-DLBZAZTESA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000539075573 388746886 /nfs/dbraw/zinc/74/68/86/388746886.db2.gz IGPJVQSUUOWWAY-IAGOWNOFSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000539075574 388746972 /nfs/dbraw/zinc/74/69/72/388746972.db2.gz IGPJVQSUUOWWAY-IRXDYDNUSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000539075575 324823907 /nfs/dbraw/zinc/82/39/07/324823907.db2.gz IGPJVQSUUOWWAY-SJORKVTESA-N 1 0 243.394 3.786 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000539076056 324823533 /nfs/dbraw/zinc/82/35/33/324823533.db2.gz JFPDIJAAJQZNNR-BLLLJJGKSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000539076058 388747320 /nfs/dbraw/zinc/74/73/20/388747320.db2.gz JFPDIJAAJQZNNR-LRDDRELGSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccoc1 ZINC000539076060 388747075 /nfs/dbraw/zinc/74/70/75/388747075.db2.gz JFPDIJAAJQZNNR-MLGOLLRUSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccoc1 ZINC000539076062 324823766 /nfs/dbraw/zinc/82/37/66/324823766.db2.gz JFPDIJAAJQZNNR-WBMJQRKESA-N 1 0 241.334 3.926 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(F)c1F)C(C)(C)C ZINC000539077647 324823481 /nfs/dbraw/zinc/82/34/81/324823481.db2.gz LRDURNODRJLJPK-JTQLQIEISA-N 1 0 241.325 3.532 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(F)c1F)C(C)(C)C ZINC000539077654 324823820 /nfs/dbraw/zinc/82/38/20/324823820.db2.gz LRDURNODRJLJPK-SNVBAGLBSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000539077664 324823903 /nfs/dbraw/zinc/82/39/03/324823903.db2.gz QQILNZJDCIMTLJ-CABCVRRESA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000539077666 388747189 /nfs/dbraw/zinc/74/71/89/388747189.db2.gz QQILNZJDCIMTLJ-GJZGRUSLSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000539077668 324823473 /nfs/dbraw/zinc/82/34/73/324823473.db2.gz QQILNZJDCIMTLJ-HUUCEWRRSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000539077670 324823922 /nfs/dbraw/zinc/82/39/22/324823922.db2.gz QQILNZJDCIMTLJ-LSDHHAIUSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(F)c1F ZINC000539078590 324822756 /nfs/dbraw/zinc/82/27/56/324822756.db2.gz HSPSTXMDVCOGDW-GHMZBOCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(F)c1F ZINC000539078591 388746775 /nfs/dbraw/zinc/74/67/75/388746775.db2.gz HSPSTXMDVCOGDW-MNOVXSKESA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cccc(F)c1F ZINC000539078592 388747154 /nfs/dbraw/zinc/74/71/54/388747154.db2.gz HSPSTXMDVCOGDW-QWRGUYRKSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(F)c1F ZINC000539078593 388747269 /nfs/dbraw/zinc/74/72/69/388747269.db2.gz HSPSTXMDVCOGDW-WDEREUQCSA-N 1 0 241.325 3.532 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccoc1 ZINC000539082221 388747309 /nfs/dbraw/zinc/74/73/09/388747309.db2.gz CLUKGNCAERJNOG-BFQNTYOBSA-N 1 0 241.334 3.864 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccoc1 ZINC000539082222 324823439 /nfs/dbraw/zinc/82/34/39/324823439.db2.gz CLUKGNCAERJNOG-MKBNYLNASA-N 1 0 241.334 3.864 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccoc1 ZINC000539082223 388747048 /nfs/dbraw/zinc/74/70/48/388747048.db2.gz CLUKGNCAERJNOG-MQIPJXDCSA-N 1 0 241.334 3.864 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccoc1 ZINC000539082224 388747182 /nfs/dbraw/zinc/74/71/82/388747182.db2.gz CLUKGNCAERJNOG-WQGACYEGSA-N 1 0 241.334 3.864 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)CCC1CCCCC1 ZINC000539082516 324823785 /nfs/dbraw/zinc/82/37/85/324823785.db2.gz HTKHKQHGYDFWCS-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)CCC1CCCCC1 ZINC000539082517 324823912 /nfs/dbraw/zinc/82/39/12/324823912.db2.gz HTKHKQHGYDFWCS-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC1 ZINC000539086740 324823761 /nfs/dbraw/zinc/82/37/61/324823761.db2.gz KSTJLUQQRLDTAV-HNNXBMFYSA-N 1 0 231.383 3.788 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]CC1(C)CC1 ZINC000539086741 388747123 /nfs/dbraw/zinc/74/71/23/388747123.db2.gz KSTJLUQQRLDTAV-OAHLLOKOSA-N 1 0 231.383 3.788 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000539087547 324823900 /nfs/dbraw/zinc/82/39/00/324823900.db2.gz IMCGXTHYVCLIAW-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000539087549 324823777 /nfs/dbraw/zinc/82/37/77/324823777.db2.gz IMCGXTHYVCLIAW-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C(C)C ZINC000539087801 388747636 /nfs/dbraw/zinc/74/76/36/388747636.db2.gz VUUHKTIGWQPFNS-HRCADAONSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C(C)C ZINC000539087803 324823708 /nfs/dbraw/zinc/82/37/08/324823708.db2.gz VUUHKTIGWQPFNS-JYJNAYRXSA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C(C)C ZINC000539087804 388747539 /nfs/dbraw/zinc/74/75/39/388747539.db2.gz VUUHKTIGWQPFNS-OWCLPIDISA-N 1 0 231.383 3.642 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C(C)C ZINC000539087806 388747805 /nfs/dbraw/zinc/74/78/05/388747805.db2.gz VUUHKTIGWQPFNS-PMPSAXMXSA-N 1 0 231.383 3.642 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000539088379 324823930 /nfs/dbraw/zinc/82/39/30/324823930.db2.gz SUZYEQLHYPXVCZ-CABCVRRESA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000539088380 388748115 /nfs/dbraw/zinc/74/81/15/388748115.db2.gz SUZYEQLHYPXVCZ-GJZGRUSLSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000539088381 388748303 /nfs/dbraw/zinc/74/83/03/388748303.db2.gz SUZYEQLHYPXVCZ-HUUCEWRRSA-N 1 0 229.367 3.712 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000539088382 324823381 /nfs/dbraw/zinc/82/33/81/324823381.db2.gz SUZYEQLHYPXVCZ-LSDHHAIUSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C(C)(C)C ZINC000539088461 388748136 /nfs/dbraw/zinc/74/81/36/388748136.db2.gz TUQQAXHDPVUFQM-AEGPPILISA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C(C)(C)C ZINC000539088462 388748290 /nfs/dbraw/zinc/74/82/90/388748290.db2.gz TUQQAXHDPVUFQM-CFVMTHIKSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C(C)(C)C ZINC000539088463 324823804 /nfs/dbraw/zinc/82/38/04/324823804.db2.gz TUQQAXHDPVUFQM-NWANDNLSSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C(C)(C)C ZINC000539088464 388748373 /nfs/dbraw/zinc/74/83/73/388748373.db2.gz TUQQAXHDPVUFQM-QEJZJMRPSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC1 ZINC000539089687 324824711 /nfs/dbraw/zinc/82/47/11/324824711.db2.gz VWWMKCNULUBDMW-HNNXBMFYSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC1 ZINC000539089690 388748092 /nfs/dbraw/zinc/74/80/92/388748092.db2.gz VWWMKCNULUBDMW-OAHLLOKOSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)COC2 ZINC000539090379 324824658 /nfs/dbraw/zinc/82/46/58/324824658.db2.gz DKLBTXWXBYLPTF-GFCCVEGCSA-N 1 0 247.382 3.804 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc2c(c1)COC2 ZINC000539090380 388747920 /nfs/dbraw/zinc/74/79/20/388747920.db2.gz DKLBTXWXBYLPTF-LBPRGKRZSA-N 1 0 247.382 3.804 20 0 BHADRO C1CC1C([NH2+][C@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000539090939 324824655 /nfs/dbraw/zinc/82/46/55/324824655.db2.gz OPGDRENYIXQJDJ-CABCVRRESA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000539090943 388747598 /nfs/dbraw/zinc/74/75/98/388747598.db2.gz OPGDRENYIXQJDJ-GJZGRUSLSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000539090946 324824661 /nfs/dbraw/zinc/82/46/61/324824661.db2.gz OPGDRENYIXQJDJ-HUUCEWRRSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1C([NH2+][C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000539090948 324824510 /nfs/dbraw/zinc/82/45/10/324824510.db2.gz OPGDRENYIXQJDJ-LSDHHAIUSA-N 1 0 233.399 3.733 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000539091397 324824718 /nfs/dbraw/zinc/82/47/18/324824718.db2.gz TXROZTBHUIECFI-BBRMVZONSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000539091399 324824507 /nfs/dbraw/zinc/82/45/07/324824507.db2.gz TXROZTBHUIECFI-CJNGLKHVSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000539091401 324824473 /nfs/dbraw/zinc/82/44/73/324824473.db2.gz TXROZTBHUIECFI-CZUORRHYSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000539091403 388747745 /nfs/dbraw/zinc/74/77/45/388747745.db2.gz TXROZTBHUIECFI-XJKSGUPXSA-N 1 0 231.383 3.642 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1N(C)C ZINC000539092302 388747832 /nfs/dbraw/zinc/74/78/32/388747832.db2.gz UFOMOLUGDFKFIM-CYBMUJFWSA-N 1 0 248.414 3.839 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1N(C)C ZINC000539092303 324824372 /nfs/dbraw/zinc/82/43/72/324824372.db2.gz UFOMOLUGDFKFIM-ZDUSSCGKSA-N 1 0 248.414 3.839 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000539094548 324824589 /nfs/dbraw/zinc/82/45/89/324824589.db2.gz ZQNJDBHWGVXIOX-BJJXKVORSA-N 1 0 249.373 3.638 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000539094549 324824714 /nfs/dbraw/zinc/82/47/14/324824714.db2.gz ZQNJDBHWGVXIOX-INWMFGNUSA-N 1 0 249.373 3.638 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000539094551 388747603 /nfs/dbraw/zinc/74/76/03/388747603.db2.gz ZQNJDBHWGVXIOX-NOLJZWGESA-N 1 0 249.373 3.638 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@H]1C ZINC000539094552 388748101 /nfs/dbraw/zinc/74/81/01/388748101.db2.gz ZQNJDBHWGVXIOX-XPKDYRNWSA-N 1 0 249.373 3.638 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1cccc(C)c1 ZINC000539098124 388747814 /nfs/dbraw/zinc/74/78/14/388747814.db2.gz FTTMFLJJKSYVCD-AWEZNQCLSA-N 1 0 237.412 3.568 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1cccc(C)c1 ZINC000539098125 388748284 /nfs/dbraw/zinc/74/82/84/388748284.db2.gz FTTMFLJJKSYVCD-CQSZACIVSA-N 1 0 237.412 3.568 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1ccccc1C ZINC000539098469 388747857 /nfs/dbraw/zinc/74/78/57/388747857.db2.gz PGSGMYSUZOISGP-AWEZNQCLSA-N 1 0 237.412 3.568 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1ccccc1C ZINC000539098470 388748278 /nfs/dbraw/zinc/74/82/78/388748278.db2.gz PGSGMYSUZOISGP-CQSZACIVSA-N 1 0 237.412 3.568 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000539120997 324826543 /nfs/dbraw/zinc/82/65/43/324826543.db2.gz REXWTAQVRVILSR-BCUIYNNISA-N 1 0 247.382 3.574 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000539120998 324826437 /nfs/dbraw/zinc/82/64/37/324826437.db2.gz REXWTAQVRVILSR-IATRGZMQSA-N 1 0 247.382 3.574 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000539120999 324826320 /nfs/dbraw/zinc/82/63/20/324826320.db2.gz REXWTAQVRVILSR-JFILPPLUSA-N 1 0 247.382 3.574 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000539121001 324826432 /nfs/dbraw/zinc/82/64/32/324826432.db2.gz REXWTAQVRVILSR-OQMKEHIESA-N 1 0 247.382 3.574 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1CC1)Oc1cccc(C)c1 ZINC000539121501 388749035 /nfs/dbraw/zinc/74/90/35/388749035.db2.gz HROTWOQQJTYNIK-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1CC1)Oc1cccc(C)c1 ZINC000539121504 324826422 /nfs/dbraw/zinc/82/64/22/324826422.db2.gz HROTWOQQJTYNIK-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000539122584 388748762 /nfs/dbraw/zinc/74/87/62/388748762.db2.gz POHZJSVHKLIHLC-HNNXBMFYSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000539122587 324826463 /nfs/dbraw/zinc/82/64/63/324826463.db2.gz POHZJSVHKLIHLC-OAHLLOKOSA-N 1 0 247.357 3.839 20 0 BHADRO CCCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539160246 324827359 /nfs/dbraw/zinc/82/73/59/324827359.db2.gz AKVANMLQOLDVPE-HNNXBMFYSA-N 1 0 235.346 3.975 20 0 BHADRO CCCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539160248 324827210 /nfs/dbraw/zinc/82/72/10/324827210.db2.gz AKVANMLQOLDVPE-OAHLLOKOSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc([C@@H]([NH2+]CC2CCC2)C2CC2)ccc1F ZINC000539201756 322909185 /nfs/dbraw/zinc/90/91/85/322909185.db2.gz ABUFCRLIXQTJNY-INIZCTEOSA-N 1 0 247.357 3.975 20 0 BHADRO Cc1cc([C@H]([NH2+]CC2CCC2)C2CC2)ccc1F ZINC000539201766 384262823 /nfs/dbraw/zinc/26/28/23/384262823.db2.gz ABUFCRLIXQTJNY-MRXNPFEDSA-N 1 0 247.357 3.975 20 0 BHADRO COc1ccc([C@@H]([NH2+]CC2CCC2)C(C)C)cc1 ZINC000539201816 388750124 /nfs/dbraw/zinc/75/01/24/388750124.db2.gz ATSYASHVQOJCDO-INIZCTEOSA-N 1 0 247.382 3.782 20 0 BHADRO COc1ccc([C@H]([NH2+]CC2CCC2)C(C)C)cc1 ZINC000539201819 324828158 /nfs/dbraw/zinc/82/81/58/324828158.db2.gz ATSYASHVQOJCDO-MRXNPFEDSA-N 1 0 247.382 3.782 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000539214817 388749965 /nfs/dbraw/zinc/74/99/65/388749965.db2.gz CQFLWFVUDXNNOE-IPYPFGDCSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000539214818 388749977 /nfs/dbraw/zinc/74/99/77/388749977.db2.gz CQFLWFVUDXNNOE-KCQAQPDRSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000539214819 388750605 /nfs/dbraw/zinc/75/06/05/388750605.db2.gz CQFLWFVUDXNNOE-VNHYZAJKSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000539214820 324828914 /nfs/dbraw/zinc/82/89/14/324828914.db2.gz CQFLWFVUDXNNOE-YDHLFZDLSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)[C@H]([NH2+]CCCC1CC1)c1cccnc1 ZINC000539216783 388750414 /nfs/dbraw/zinc/75/04/14/388750414.db2.gz HGUGHHDBGQTZJF-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCC1CC1)c1cccnc1 ZINC000539216786 324829230 /nfs/dbraw/zinc/82/92/30/324829230.db2.gz HGUGHHDBGQTZJF-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000539217291 324829034 /nfs/dbraw/zinc/82/90/34/324829034.db2.gz JKSPHLWEAMOXIS-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000539217292 324828818 /nfs/dbraw/zinc/82/88/18/324828818.db2.gz JKSPHLWEAMOXIS-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO CCC(CC)[C@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000539251604 388751108 /nfs/dbraw/zinc/75/11/08/388751108.db2.gz XGVMUFRARLOCDA-CVEARBPZSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000539251605 388751707 /nfs/dbraw/zinc/75/17/07/388751707.db2.gz XGVMUFRARLOCDA-HZPDHXFCSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000539253497 324829871 /nfs/dbraw/zinc/82/98/71/324829871.db2.gz GRXZRYCHWFKDKB-AWEZNQCLSA-N 1 0 231.383 3.909 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000539253499 388750817 /nfs/dbraw/zinc/75/08/17/388750817.db2.gz GRXZRYCHWFKDKB-CQSZACIVSA-N 1 0 231.383 3.909 20 0 BHADRO CCC(CC)[C@H]([NH2+]CCCOC)c1ccccc1 ZINC000539279193 324830904 /nfs/dbraw/zinc/83/09/04/324830904.db2.gz FONSAAKSPLTVFU-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCC(CC)[C@@H]([NH2+]CCCOC)c1ccccc1 ZINC000539279194 324830637 /nfs/dbraw/zinc/83/06/37/324830637.db2.gz FONSAAKSPLTVFU-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CSCCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000539287171 324830499 /nfs/dbraw/zinc/83/04/99/324830499.db2.gz MCVJAWXNALNPCW-UHFFFAOYSA-N 1 0 249.423 3.799 20 0 BHADRO CC(C)([NH2+][C@H]1C=CCCC1)c1cccc(F)c1 ZINC000539289427 388752038 /nfs/dbraw/zinc/75/20/38/388752038.db2.gz NOIXLPCVUHDITK-AWEZNQCLSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)([NH2+][C@@H]1C=CCCC1)c1cccc(F)c1 ZINC000539289428 388752670 /nfs/dbraw/zinc/75/26/70/388752670.db2.gz NOIXLPCVUHDITK-CQSZACIVSA-N 1 0 233.330 3.759 20 0 BHADRO CCSCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000539289761 388752052 /nfs/dbraw/zinc/75/20/52/388752052.db2.gz QZXYFBDHCIKIBP-UHFFFAOYSA-N 1 0 249.423 3.799 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000539295504 324831512 /nfs/dbraw/zinc/83/15/12/324831512.db2.gz PSXMNJAQKMGSPF-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000539295505 324831363 /nfs/dbraw/zinc/83/13/63/324831363.db2.gz PSXMNJAQKMGSPF-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000539295506 324831753 /nfs/dbraw/zinc/83/17/53/324831753.db2.gz PSXMNJAQKMGSPF-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000539295507 388752626 /nfs/dbraw/zinc/75/26/26/388752626.db2.gz PSXMNJAQKMGSPF-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO c1ccc(C2([NH2+]CCC3CC3)CCCC2)cc1 ZINC000539298786 324831523 /nfs/dbraw/zinc/83/15/23/324831523.db2.gz TTXXKNDTARJROS-UHFFFAOYSA-N 1 0 229.367 3.846 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCCC(C)C ZINC000539299139 324831801 /nfs/dbraw/zinc/83/18/01/324831801.db2.gz WDVPIUJMQHQKDY-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCCC(C)C ZINC000539299142 388752188 /nfs/dbraw/zinc/75/21/88/388752188.db2.gz WDVPIUJMQHQKDY-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCCC(C)C ZINC000539299143 388752608 /nfs/dbraw/zinc/75/26/08/388752608.db2.gz WDVPIUJMQHQKDY-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCCC(C)C ZINC000539299145 388752315 /nfs/dbraw/zinc/75/23/15/388752315.db2.gz WDVPIUJMQHQKDY-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CC([NH2+]CCF)(c1ccccc1)c1ccccc1 ZINC000539306361 388752074 /nfs/dbraw/zinc/75/20/74/388752074.db2.gz VHEJMBGVJRNIDY-UHFFFAOYSA-N 1 0 243.325 3.509 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](COC)c1ccccc1 ZINC000539314656 324831665 /nfs/dbraw/zinc/83/16/65/324831665.db2.gz OLHWATVWTVXBAD-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](COC)c1ccccc1 ZINC000539314658 324831589 /nfs/dbraw/zinc/83/15/89/324831589.db2.gz OLHWATVWTVXBAD-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO FCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000539314997 388752010 /nfs/dbraw/zinc/75/20/10/388752010.db2.gz RSRULVLMCFGAOU-AWEZNQCLSA-N 1 0 239.309 3.616 20 0 BHADRO FCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000539314998 324831620 /nfs/dbraw/zinc/83/16/20/324831620.db2.gz RSRULVLMCFGAOU-CQSZACIVSA-N 1 0 239.309 3.616 20 0 BHADRO Fc1cccc(C2([NH2+]CC3CCCC3)CC2)c1 ZINC000539317351 324831299 /nfs/dbraw/zinc/83/12/99/324831299.db2.gz WFAWUTYUJUQYMW-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO CC[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000539317579 388753483 /nfs/dbraw/zinc/75/34/83/388753483.db2.gz ZETSSJAFBIGHAG-UHFFFAOYSA-N 1 0 235.371 3.566 20 0 BHADRO CC(C)(C)C[NH+](Cc1ccno1)CC(C)(C)C ZINC000539318691 324831683 /nfs/dbraw/zinc/83/16/83/324831683.db2.gz JDOSCMYFNRAMAI-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO CC(C)(C)C[NH+](CCCF)CC(C)(C)C ZINC000539322331 388754253 /nfs/dbraw/zinc/75/42/53/388754253.db2.gz ZPLPLWJKIVVXPA-UHFFFAOYSA-N 1 0 217.372 3.740 20 0 BHADRO CCCC[N@H+](CCCO)[C@@H](C)c1cccc(C)c1 ZINC000539324165 388753721 /nfs/dbraw/zinc/75/37/21/388753721.db2.gz HGAMXVONVUURHY-HNNXBMFYSA-N 1 0 249.398 3.541 20 0 BHADRO CCCC[N@H+](CCCO)[C@H](C)c1cccc(C)c1 ZINC000539324166 388753520 /nfs/dbraw/zinc/75/35/20/388753520.db2.gz HGAMXVONVUURHY-OAHLLOKOSA-N 1 0 249.398 3.541 20 0 BHADRO FCC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000539333324 388753332 /nfs/dbraw/zinc/75/33/32/388753332.db2.gz XGLIUIYHQYRVJF-AWEZNQCLSA-N 1 0 239.309 3.616 20 0 BHADRO FCC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539333325 388754142 /nfs/dbraw/zinc/75/41/42/388754142.db2.gz XGLIUIYHQYRVJF-CQSZACIVSA-N 1 0 239.309 3.616 20 0 BHADRO CC[C@H]([NH2+]CC=C(C)C)c1cc(F)ccc1F ZINC000539347566 388755562 /nfs/dbraw/zinc/75/55/62/388755562.db2.gz VDKICJXYMASPSW-AWEZNQCLSA-N 1 0 239.309 3.972 20 0 BHADRO CC[C@@H]([NH2+]CC=C(C)C)c1cc(F)ccc1F ZINC000539347567 388755012 /nfs/dbraw/zinc/75/50/12/388755012.db2.gz VDKICJXYMASPSW-CQSZACIVSA-N 1 0 239.309 3.972 20 0 BHADRO CCC[N@H+](Cc1ccc(CC)s1)C1CC1 ZINC000539401116 388756700 /nfs/dbraw/zinc/75/67/00/388756700.db2.gz LPSDCOCABICDCM-UHFFFAOYSA-N 1 0 223.385 3.685 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@H]2C(C)C)c(C)c1 ZINC000539401561 388756420 /nfs/dbraw/zinc/75/64/20/388756420.db2.gz XPUIRMUISOAJFR-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C[N@H+]2CC[C@@H]2C(C)C)c(C)c1 ZINC000539401562 388757410 /nfs/dbraw/zinc/75/74/10/388757410.db2.gz XPUIRMUISOAJFR-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000539401966 388756794 /nfs/dbraw/zinc/75/67/94/388756794.db2.gz HKMXKXZJIBQMPM-CYBMUJFWSA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000539401967 388757165 /nfs/dbraw/zinc/75/71/65/388757165.db2.gz HKMXKXZJIBQMPM-ZDUSSCGKSA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000539402305 388757039 /nfs/dbraw/zinc/75/70/39/388757039.db2.gz GHRYKYRZBZOBRK-ABCZVMIZSA-N 1 0 233.330 3.569 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000539402306 388756649 /nfs/dbraw/zinc/75/66/49/388756649.db2.gz GHRYKYRZBZOBRK-BWPKMQGJSA-N 1 0 233.330 3.569 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000539402307 388757126 /nfs/dbraw/zinc/75/71/26/388757126.db2.gz GHRYKYRZBZOBRK-JZIMQPMSSA-N 1 0 233.330 3.569 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000539402308 388757450 /nfs/dbraw/zinc/75/74/50/388757450.db2.gz GHRYKYRZBZOBRK-NHZBNJEXSA-N 1 0 233.330 3.569 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000539403131 388757350 /nfs/dbraw/zinc/75/73/50/388757350.db2.gz JKMRMAIOBSMNRY-INIZCTEOSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000539403132 388756351 /nfs/dbraw/zinc/75/63/51/388756351.db2.gz JKMRMAIOBSMNRY-MRXNPFEDSA-N 1 0 247.382 3.704 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000539405446 388757282 /nfs/dbraw/zinc/75/72/82/388757282.db2.gz YTXVEGILBCMMAR-LLVKDONJSA-N 1 0 242.794 3.547 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000539405447 388757438 /nfs/dbraw/zinc/75/74/38/388757438.db2.gz YTXVEGILBCMMAR-NSHDSACASA-N 1 0 242.794 3.547 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)CC(C)(C)C)cc1 ZINC000539406019 388757422 /nfs/dbraw/zinc/75/74/22/388757422.db2.gz AYWBPRPLIKNSCE-CYBMUJFWSA-N 1 0 249.398 3.777 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)CC(C)(C)C)cc1 ZINC000539406020 388756310 /nfs/dbraw/zinc/75/63/10/388756310.db2.gz AYWBPRPLIKNSCE-ZDUSSCGKSA-N 1 0 249.398 3.777 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539406104 388757227 /nfs/dbraw/zinc/75/72/27/388757227.db2.gz DLYXZNKSLKOJFF-KBPBESRZSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539406105 388756778 /nfs/dbraw/zinc/75/67/78/388756778.db2.gz DLYXZNKSLKOJFF-KGLIPLIRSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539406106 388756236 /nfs/dbraw/zinc/75/62/36/388756236.db2.gz DLYXZNKSLKOJFF-UONOGXRCSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539406107 388756150 /nfs/dbraw/zinc/75/61/50/388756150.db2.gz DLYXZNKSLKOJFF-ZIAGYGMSSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCCC2(C)C)cc1 ZINC000539406109 388757081 /nfs/dbraw/zinc/75/70/81/388757081.db2.gz DMXCCAUYDLTLSG-CYBMUJFWSA-N 1 0 247.382 3.673 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCCC2(C)C)cc1 ZINC000539406110 388756089 /nfs/dbraw/zinc/75/60/89/388756089.db2.gz DMXCCAUYDLTLSG-ZDUSSCGKSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[C@@H](C[NH+]1CCSCC1)c1ccccc1 ZINC000539407392 388756713 /nfs/dbraw/zinc/75/67/13/388756713.db2.gz CYTFUYFYEZCLKN-HNNXBMFYSA-N 1 0 249.423 3.619 20 0 BHADRO CCC[C@H](C[NH+]1CCSCC1)c1ccccc1 ZINC000539407402 388757317 /nfs/dbraw/zinc/75/73/17/388757317.db2.gz CYTFUYFYEZCLKN-OAHLLOKOSA-N 1 0 249.423 3.619 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000539407484 388756818 /nfs/dbraw/zinc/75/68/18/388756818.db2.gz IBYNEVXWENMCTH-CYBMUJFWSA-N 1 0 235.371 3.563 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000539407486 388756992 /nfs/dbraw/zinc/75/69/92/388756992.db2.gz IBYNEVXWENMCTH-ZDUSSCGKSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)COc1cccc(C[N@H+](C)C(C)C)c1 ZINC000539408999 388758721 /nfs/dbraw/zinc/75/87/21/388758721.db2.gz VPEGNEMFJBNTRD-UHFFFAOYSA-N 1 0 235.371 3.562 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000539409346 388758753 /nfs/dbraw/zinc/75/87/53/388758753.db2.gz SFZQBRBBAXGVIQ-KBPBESRZSA-N 1 0 247.382 3.673 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000539409347 388758852 /nfs/dbraw/zinc/75/88/52/388758852.db2.gz SFZQBRBBAXGVIQ-KGLIPLIRSA-N 1 0 247.382 3.673 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000539409348 388758843 /nfs/dbraw/zinc/75/88/43/388758843.db2.gz SFZQBRBBAXGVIQ-UONOGXRCSA-N 1 0 247.382 3.673 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000539409349 388758651 /nfs/dbraw/zinc/75/86/51/388758651.db2.gz SFZQBRBBAXGVIQ-ZIAGYGMSSA-N 1 0 247.382 3.673 20 0 BHADRO CCCC[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000539409484 388757916 /nfs/dbraw/zinc/75/79/16/388757916.db2.gz CGVUCOXVGVPCSV-CYBMUJFWSA-N 1 0 235.371 3.531 20 0 BHADRO CCCC[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000539409485 388758618 /nfs/dbraw/zinc/75/86/18/388758618.db2.gz CGVUCOXVGVPCSV-ZDUSSCGKSA-N 1 0 235.371 3.531 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1cccs1 ZINC000539409539 388757824 /nfs/dbraw/zinc/75/78/24/388757824.db2.gz JFKYOOGJRQXFQP-LLVKDONJSA-N 1 0 211.374 3.616 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1cccs1 ZINC000539409540 388759139 /nfs/dbraw/zinc/75/91/39/388759139.db2.gz JFKYOOGJRQXFQP-NSHDSACASA-N 1 0 211.374 3.616 20 0 BHADRO CCC[N@H+](CCCSCC(C)C)C1CC1 ZINC000539425090 388758550 /nfs/dbraw/zinc/75/85/50/388758550.db2.gz QXHMLUUXWDGHJO-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000539441774 388760785 /nfs/dbraw/zinc/76/07/85/388760785.db2.gz HNDCXBYJWNLIKX-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CCC[C@@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000539487505 388760434 /nfs/dbraw/zinc/76/04/34/388760434.db2.gz UTABZEIXARORSK-INIZCTEOSA-N 1 0 243.350 3.953 20 0 BHADRO CCC[C@H](C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000539487506 324840533 /nfs/dbraw/zinc/84/05/33/324840533.db2.gz UTABZEIXARORSK-MRXNPFEDSA-N 1 0 243.350 3.953 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC000539493962 324841321 /nfs/dbraw/zinc/84/13/21/324841321.db2.gz UANYOGMMCZETFJ-INIZCTEOSA-N 1 0 229.367 3.836 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CCC1CC1)C1CC1 ZINC000539493963 324841184 /nfs/dbraw/zinc/84/11/84/324841184.db2.gz UANYOGMMCZETFJ-MRXNPFEDSA-N 1 0 229.367 3.836 20 0 BHADRO CC(C)[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000539495412 324841087 /nfs/dbraw/zinc/84/10/87/324841087.db2.gz PPMFVYOYNAGCHF-CVEARBPZSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000539495413 388761753 /nfs/dbraw/zinc/76/17/53/388761753.db2.gz PPMFVYOYNAGCHF-HOTGVXAUSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000539495414 324841252 /nfs/dbraw/zinc/84/12/52/324841252.db2.gz PPMFVYOYNAGCHF-HZPDHXFCSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000539495415 324840982 /nfs/dbraw/zinc/84/09/82/324840982.db2.gz PPMFVYOYNAGCHF-JKSUJKDBSA-N 1 0 231.383 3.786 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1CC ZINC000539507970 324842148 /nfs/dbraw/zinc/84/21/48/324842148.db2.gz RCQNUYYJZWUAOV-GXTWGEPZSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccncc1CC ZINC000539507971 324842155 /nfs/dbraw/zinc/84/21/55/324842155.db2.gz RCQNUYYJZWUAOV-JSGCOSHPSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccncc1CC ZINC000539507972 324841780 /nfs/dbraw/zinc/84/17/80/324841780.db2.gz RCQNUYYJZWUAOV-OCCSQVGLSA-N 1 0 234.387 3.873 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccncc1CC ZINC000539507973 388763616 /nfs/dbraw/zinc/76/36/16/388763616.db2.gz RCQNUYYJZWUAOV-TZMCWYRMSA-N 1 0 234.387 3.873 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]C1(C2CC2)CC1 ZINC000539515023 388763539 /nfs/dbraw/zinc/76/35/39/388763539.db2.gz LVARPGCJTZUXGE-AWEZNQCLSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]C1(C2CC2)CC1 ZINC000539515028 388763470 /nfs/dbraw/zinc/76/34/70/388763470.db2.gz LVARPGCJTZUXGE-CQSZACIVSA-N 1 0 243.394 3.788 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH2+]C1(C2CC2)CC1 ZINC000539515356 324842490 /nfs/dbraw/zinc/84/24/90/324842490.db2.gz QCUPGZIZZGIXMP-UHFFFAOYSA-N 1 0 249.785 3.989 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000539518641 388763077 /nfs/dbraw/zinc/76/30/77/388763077.db2.gz JKICSMZYGIJEDT-CHWSQXEVSA-N 1 0 237.387 3.935 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000539518642 388763066 /nfs/dbraw/zinc/76/30/66/388763066.db2.gz JKICSMZYGIJEDT-OLZOCXBDSA-N 1 0 237.387 3.935 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000539518644 388763870 /nfs/dbraw/zinc/76/38/70/388763870.db2.gz JKICSMZYGIJEDT-QWHCGFSZSA-N 1 0 237.387 3.935 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000539518645 388762895 /nfs/dbraw/zinc/76/28/95/388762895.db2.gz JKICSMZYGIJEDT-STQMWFEESA-N 1 0 237.387 3.935 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1cc(C)cc(C)c1 ZINC000539520207 388763230 /nfs/dbraw/zinc/76/32/30/388763230.db2.gz YWGJGMISJAPVGC-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO COc1ccc([C@H](C)C[NH2+]C(C)(C)C2CC2)cc1 ZINC000539528490 324843630 /nfs/dbraw/zinc/84/36/30/324843630.db2.gz PEUDVRLAJXRDHO-GFCCVEGCSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)C[NH2+]C(C)(C)C2CC2)cc1 ZINC000539528491 324843537 /nfs/dbraw/zinc/84/35/37/324843537.db2.gz PEUDVRLAJXRDHO-LBPRGKRZSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC1)c1cc2ccccc2o1 ZINC000539555643 388764926 /nfs/dbraw/zinc/76/49/26/388764926.db2.gz ZWWFIBJTDOLXMH-HNNXBMFYSA-N 1 0 229.323 3.882 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC1)c1cc2ccccc2o1 ZINC000539555644 388765012 /nfs/dbraw/zinc/76/50/12/388765012.db2.gz ZWWFIBJTDOLXMH-OAHLLOKOSA-N 1 0 229.323 3.882 20 0 BHADRO FC1(F)CCN(Cc2ccc3ccccc3c2)C1 ZINC000539577592 388767056 /nfs/dbraw/zinc/76/70/56/388767056.db2.gz XSXSQUZLMGCTCL-UHFFFAOYSA-N 1 0 247.288 3.681 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H](C)C(C)C ZINC000539602666 324847920 /nfs/dbraw/zinc/84/79/20/324847920.db2.gz MMDRUSFUKWFLNC-CYBMUJFWSA-N 1 0 235.371 3.528 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)C(C)C ZINC000539602667 388765770 /nfs/dbraw/zinc/76/57/70/388765770.db2.gz MMDRUSFUKWFLNC-ZDUSSCGKSA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000539602719 324847924 /nfs/dbraw/zinc/84/79/24/324847924.db2.gz PDWUYQFSSCEIPQ-CYBMUJFWSA-N 1 0 249.423 3.945 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000539602720 388766050 /nfs/dbraw/zinc/76/60/50/388766050.db2.gz PDWUYQFSSCEIPQ-ZDUSSCGKSA-N 1 0 249.423 3.945 20 0 BHADRO COc1ccc(C2([NH2+][C@H](C)CC(C)C)CC2)cc1 ZINC000539622203 388768616 /nfs/dbraw/zinc/76/86/16/388768616.db2.gz UARWQPSIVIVNBZ-CYBMUJFWSA-N 1 0 247.382 3.709 20 0 BHADRO COc1ccc(C2([NH2+][C@@H](C)CC(C)C)CC2)cc1 ZINC000539622208 324848772 /nfs/dbraw/zinc/84/87/72/324848772.db2.gz UARWQPSIVIVNBZ-ZDUSSCGKSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000539625702 388767763 /nfs/dbraw/zinc/76/77/63/388767763.db2.gz RYWUPJDJIAZDAJ-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000539625703 388768196 /nfs/dbraw/zinc/76/81/96/388768196.db2.gz RYWUPJDJIAZDAJ-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000539625704 388768965 /nfs/dbraw/zinc/76/89/65/388768965.db2.gz RYWUPJDJIAZDAJ-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000539625705 388767812 /nfs/dbraw/zinc/76/78/12/388767812.db2.gz RYWUPJDJIAZDAJ-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)C2(C)CC2)c1 ZINC000539646516 388768768 /nfs/dbraw/zinc/76/87/68/388768768.db2.gz SSTWZLHZVAXXRB-CYBMUJFWSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)C2(C)CC2)c1 ZINC000539646517 324849332 /nfs/dbraw/zinc/84/93/32/324849332.db2.gz SSTWZLHZVAXXRB-ZDUSSCGKSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)C(C)C ZINC000539646816 324849564 /nfs/dbraw/zinc/84/95/64/324849564.db2.gz IHXBQBOOMOMXDR-INIZCTEOSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)C(C)C ZINC000539646817 388768675 /nfs/dbraw/zinc/76/86/75/388768675.db2.gz IHXBQBOOMOMXDR-MRXNPFEDSA-N 1 0 248.414 3.903 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)C(C)C)c1 ZINC000539648039 324849106 /nfs/dbraw/zinc/84/91/06/324849106.db2.gz NPCPZUBJOCGPET-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)C(C)C)c1 ZINC000539648040 388768364 /nfs/dbraw/zinc/76/83/64/388768364.db2.gz NPCPZUBJOCGPET-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO CC[C@H]([NH2+]C1(c2cccc(F)c2)CC1)C1CC1 ZINC000539653007 324850440 /nfs/dbraw/zinc/85/04/40/324850440.db2.gz VWDDYLCYJOPCNB-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)C1CC1 ZINC000539653008 388770125 /nfs/dbraw/zinc/77/01/25/388770125.db2.gz VWDDYLCYJOPCNB-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000539653560 324850294 /nfs/dbraw/zinc/85/02/94/324850294.db2.gz UNHXVXIBQFPVMJ-NEPJUHHUSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000539653563 388769640 /nfs/dbraw/zinc/76/96/40/388769640.db2.gz UNHXVXIBQFPVMJ-NWDGAFQWSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000539653564 324850414 /nfs/dbraw/zinc/85/04/14/324850414.db2.gz UNHXVXIBQFPVMJ-RYUDHWBXSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000539653565 388769990 /nfs/dbraw/zinc/76/99/90/388769990.db2.gz UNHXVXIBQFPVMJ-VXGBXAGGSA-N 1 0 235.346 3.839 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1C ZINC000539653837 388770508 /nfs/dbraw/zinc/77/05/08/388770508.db2.gz BXBGKIMGNIVLNX-CYBMUJFWSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C2(C3CC3)CC2)c1C ZINC000539653843 388769832 /nfs/dbraw/zinc/76/98/32/388769832.db2.gz BXBGKIMGNIVLNX-ZDUSSCGKSA-N 1 0 229.367 3.897 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000539654948 324850427 /nfs/dbraw/zinc/85/04/27/324850427.db2.gz OBMMHJOPSGJSQV-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000539654949 324850495 /nfs/dbraw/zinc/85/04/95/324850495.db2.gz OBMMHJOPSGJSQV-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000539654950 388770316 /nfs/dbraw/zinc/77/03/16/388770316.db2.gz OBMMHJOPSGJSQV-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000539654951 388770138 /nfs/dbraw/zinc/77/01/38/388770138.db2.gz OBMMHJOPSGJSQV-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(C)cc1 ZINC000539655276 388770375 /nfs/dbraw/zinc/77/03/75/388770375.db2.gz OGEUOTWZZCKJQA-HNNXBMFYSA-N 1 0 229.367 3.978 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(C)cc1 ZINC000539655277 388769396 /nfs/dbraw/zinc/76/93/96/388769396.db2.gz OGEUOTWZZCKJQA-OAHLLOKOSA-N 1 0 229.367 3.978 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000539655287 324850305 /nfs/dbraw/zinc/85/03/05/324850305.db2.gz OQAXDSAGFGFQFK-AWEZNQCLSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000539655288 388769998 /nfs/dbraw/zinc/76/99/98/388769998.db2.gz OQAXDSAGFGFQFK-CQSZACIVSA-N 1 0 247.769 3.860 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539655733 388767923 /nfs/dbraw/zinc/76/79/23/388767923.db2.gz UUDRJLOFPQUGJI-GFCCVEGCSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539655734 388768776 /nfs/dbraw/zinc/76/87/76/388768776.db2.gz UUDRJLOFPQUGJI-LBPRGKRZSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CC1 ZINC000539655862 388769881 /nfs/dbraw/zinc/76/98/81/388769881.db2.gz WGUXEBAEPMCQOI-CYBMUJFWSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CC1 ZINC000539655864 324850214 /nfs/dbraw/zinc/85/02/14/324850214.db2.gz WGUXEBAEPMCQOI-ZDUSSCGKSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000539656130 324850493 /nfs/dbraw/zinc/85/04/93/324850493.db2.gz UBTCRJDTVIAGIH-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000539656131 324850388 /nfs/dbraw/zinc/85/03/88/324850388.db2.gz UBTCRJDTVIAGIH-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000539656536 324850700 /nfs/dbraw/zinc/85/07/00/324850700.db2.gz AKXWYLDYXOEZKH-AWEZNQCLSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000539656537 324851267 /nfs/dbraw/zinc/85/12/67/324851267.db2.gz AKXWYLDYXOEZKH-CQSZACIVSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000539656639 388769904 /nfs/dbraw/zinc/76/99/04/388769904.db2.gz FWZCPGPDZQXIQR-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000539656640 324851216 /nfs/dbraw/zinc/85/12/16/324851216.db2.gz FWZCPGPDZQXIQR-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539656657 388769930 /nfs/dbraw/zinc/76/99/30/388769930.db2.gz GMCLYEGSPXGHKK-GFCCVEGCSA-N 1 0 235.346 3.983 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539656658 324851029 /nfs/dbraw/zinc/85/10/29/324851029.db2.gz GMCLYEGSPXGHKK-LBPRGKRZSA-N 1 0 235.346 3.983 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(F)c1F ZINC000539656874 324851065 /nfs/dbraw/zinc/85/10/65/324851065.db2.gz OCPWTVXSBZIYCY-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(F)c1F ZINC000539656875 388769556 /nfs/dbraw/zinc/76/95/56/388769556.db2.gz OCPWTVXSBZIYCY-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000539657319 388770076 /nfs/dbraw/zinc/77/00/76/388770076.db2.gz YJEUVBDHYGCEQK-GFCCVEGCSA-N 1 0 245.366 3.597 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000539657320 324850901 /nfs/dbraw/zinc/85/09/01/324850901.db2.gz YJEUVBDHYGCEQK-LBPRGKRZSA-N 1 0 245.366 3.597 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000539669220 388769984 /nfs/dbraw/zinc/76/99/84/388769984.db2.gz CLQNGFKIQKYUFN-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000539669221 324851270 /nfs/dbraw/zinc/85/12/70/324851270.db2.gz CLQNGFKIQKYUFN-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000539669222 324851089 /nfs/dbraw/zinc/85/10/89/324851089.db2.gz CLQNGFKIQKYUFN-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000539669223 324851179 /nfs/dbraw/zinc/85/11/79/324851179.db2.gz CLQNGFKIQKYUFN-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000539679234 324851600 /nfs/dbraw/zinc/85/16/00/324851600.db2.gz HQKFGNMZJQTUPN-KKUMJFAQSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000539679235 388770198 /nfs/dbraw/zinc/77/01/98/388770198.db2.gz HQKFGNMZJQTUPN-RRFJBIMHSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000539679236 388769878 /nfs/dbraw/zinc/76/98/78/388769878.db2.gz HQKFGNMZJQTUPN-SOUVJXGZSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000539679237 388770593 /nfs/dbraw/zinc/77/05/93/388770593.db2.gz HQKFGNMZJQTUPN-ZNMIVQPWSA-N 1 0 241.419 3.604 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000539680558 324851659 /nfs/dbraw/zinc/85/16/59/324851659.db2.gz NDTWRWUZVAUPDO-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000539680559 324851706 /nfs/dbraw/zinc/85/17/06/324851706.db2.gz NDTWRWUZVAUPDO-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000539680560 388770206 /nfs/dbraw/zinc/77/02/06/388770206.db2.gz NDTWRWUZVAUPDO-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000539680561 324852002 /nfs/dbraw/zinc/85/20/02/324852002.db2.gz NDTWRWUZVAUPDO-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000539680878 324851749 /nfs/dbraw/zinc/85/17/49/324851749.db2.gz YMYAEZDWIUROSI-AJNGGQMLSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000539680879 324851701 /nfs/dbraw/zinc/85/17/01/324851701.db2.gz YMYAEZDWIUROSI-BYNSBNAKSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000539680881 388770184 /nfs/dbraw/zinc/77/01/84/388770184.db2.gz YMYAEZDWIUROSI-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000539680882 388770344 /nfs/dbraw/zinc/77/03/44/388770344.db2.gz YMYAEZDWIUROSI-ZQDZILKHSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000539738903 324855090 /nfs/dbraw/zinc/85/50/90/324855090.db2.gz LLLPMKJDYMKOQK-GXTWGEPZSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000539738904 324855285 /nfs/dbraw/zinc/85/52/85/324855285.db2.gz LLLPMKJDYMKOQK-JSGCOSHPSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000539738905 324855021 /nfs/dbraw/zinc/85/50/21/324855021.db2.gz LLLPMKJDYMKOQK-OCCSQVGLSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000539738906 324855168 /nfs/dbraw/zinc/85/51/68/324855168.db2.gz LLLPMKJDYMKOQK-TZMCWYRMSA-N 1 0 248.414 3.903 20 0 BHADRO CCCc1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000539790834 324859048 /nfs/dbraw/zinc/85/90/48/324859048.db2.gz PKRZHVZJDXYFTG-UHFFFAOYSA-N 1 0 229.367 3.766 20 0 BHADRO C[C@@H](c1nc2ccccc2o1)[NH+]1C2CCC1CC2 ZINC000539790872 324859229 /nfs/dbraw/zinc/85/92/29/324859229.db2.gz ZJRAIBNQTFDWTA-UNXYVOJBSA-N 1 0 242.322 3.516 20 0 BHADRO C[C@H](c1nc2ccccc2o1)[NH+]1C2CCC1CC2 ZINC000539790873 388775737 /nfs/dbraw/zinc/77/57/37/388775737.db2.gz ZJRAIBNQTFDWTA-VOMCLLRMSA-N 1 0 242.322 3.516 20 0 BHADRO CCCc1ccc(C[N@H+](C)C2CCC2)cc1 ZINC000539791535 388775903 /nfs/dbraw/zinc/77/59/03/388775903.db2.gz FPDHJIGVDDGDRB-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000539817459 388779795 /nfs/dbraw/zinc/77/97/95/388779795.db2.gz CIJQSTPDSXQCNS-UHFFFAOYSA-N 1 0 247.382 3.847 20 0 BHADRO CCCOc1cccc(C[N@H+](C(C)C)C2CC2)c1 ZINC000539817472 388779009 /nfs/dbraw/zinc/77/90/09/388779009.db2.gz NKFVRNZGNYBNCW-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[N@H+](Cc1cccc(C)c1C)C1CCC1 ZINC000539817716 388778908 /nfs/dbraw/zinc/77/89/08/388778908.db2.gz NIOVUYBRAYOYKC-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO FC(F)(F)C1=CC[N@H+](C[C@@H]2CC=CCC2)CC1 ZINC000539819993 388779215 /nfs/dbraw/zinc/77/92/15/388779215.db2.gz VPUTUNZWTMHMHE-LLVKDONJSA-N 1 0 245.288 3.537 20 0 BHADRO FC(F)(F)C1=CC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000539819994 388779431 /nfs/dbraw/zinc/77/94/31/388779431.db2.gz VPUTUNZWTMHMHE-NSHDSACASA-N 1 0 245.288 3.537 20 0 BHADRO CC[N@H+](Cc1cccn1CCC(C)C)C1CCC1 ZINC000539820007 388780358 /nfs/dbraw/zinc/78/03/58/388780358.db2.gz XNBJTXMSRSSSDF-UHFFFAOYSA-N 1 0 248.414 3.909 20 0 BHADRO 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BHADRO CCS[C@@H]1CCCC[N@H+](CC(C)(C)C)C1 ZINC000539828709 388781396 /nfs/dbraw/zinc/78/13/96/388781396.db2.gz FLFIRWNROCLILR-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCS[C@H]1CCCC[N@H+](CC(C)(C)C)C1 ZINC000539828712 388780698 /nfs/dbraw/zinc/78/06/98/388780698.db2.gz FLFIRWNROCLILR-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539829026 388781046 /nfs/dbraw/zinc/78/10/46/388781046.db2.gz NDJGSFQSEDKBQY-HZMBPMFUSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539829027 388784015 /nfs/dbraw/zinc/78/40/15/388784015.db2.gz NDJGSFQSEDKBQY-IINYFYTJSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539829029 388782711 /nfs/dbraw/zinc/78/27/11/388782711.db2.gz NDJGSFQSEDKBQY-QMTHXVAHSA-N 1 0 239.309 3.585 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539829030 388784334 /nfs/dbraw/zinc/78/43/34/388784334.db2.gz NDJGSFQSEDKBQY-YGRLFVJLSA-N 1 0 239.309 3.585 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@H](C(C)C)CC2)nc1 ZINC000539829238 388783954 /nfs/dbraw/zinc/78/39/54/388783954.db2.gz ZKIWXBYGEMYHQO-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)nc1 ZINC000539829241 388783848 /nfs/dbraw/zinc/78/38/48/388783848.db2.gz ZKIWXBYGEMYHQO-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000539829455 388783428 /nfs/dbraw/zinc/78/34/28/388783428.db2.gz URUHNLDNJIYVBT-NXEZZACHSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000539829458 388784243 /nfs/dbraw/zinc/78/42/43/388784243.db2.gz URUHNLDNJIYVBT-UWVGGRQHSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000539829461 388782803 /nfs/dbraw/zinc/78/28/03/388782803.db2.gz URUHNLDNJIYVBT-VHSXEESVSA-N 1 0 227.735 3.553 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000539829463 388784172 /nfs/dbraw/zinc/78/41/72/388784172.db2.gz URUHNLDNJIYVBT-ZJUUUORDSA-N 1 0 227.735 3.553 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000539830358 388784372 /nfs/dbraw/zinc/78/43/72/388784372.db2.gz OARMOFJRBGLNIU-SECBINFHSA-N 1 0 244.165 3.978 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000539830359 388784263 /nfs/dbraw/zinc/78/42/63/388784263.db2.gz OARMOFJRBGLNIU-VIFPVBQESA-N 1 0 244.165 3.978 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000539830929 388784348 /nfs/dbraw/zinc/78/43/48/388784348.db2.gz SUNXDSSSUYDBPB-LLVKDONJSA-N 1 0 241.762 3.801 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000539830930 388784112 /nfs/dbraw/zinc/78/41/12/388784112.db2.gz SUNXDSSSUYDBPB-NSHDSACASA-N 1 0 241.762 3.801 20 0 BHADRO CC[N@@H+](Cc1cc(Cl)ccc1F)CC1CC1 ZINC000539831011 388783831 /nfs/dbraw/zinc/78/38/31/388783831.db2.gz GFUFRDVTPXZQEJ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC1CC1 ZINC000539831021 388784316 /nfs/dbraw/zinc/78/43/16/388784316.db2.gz HGBOZUJGOKLDRM-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000539831270 388782689 /nfs/dbraw/zinc/78/26/89/388782689.db2.gz XYCPRNKPSUOTNU-KBPBESRZSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000539831271 388784105 /nfs/dbraw/zinc/78/41/05/388784105.db2.gz XYCPRNKPSUOTNU-KGLIPLIRSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000539831272 388783731 /nfs/dbraw/zinc/78/37/31/388783731.db2.gz XYCPRNKPSUOTNU-UONOGXRCSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000539831273 388783556 /nfs/dbraw/zinc/78/35/56/388783556.db2.gz XYCPRNKPSUOTNU-ZIAGYGMSSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)nc1 ZINC000539833142 388783737 /nfs/dbraw/zinc/78/37/37/388783737.db2.gz MHUFYXQHGWUEAG-IIAWOOMASA-N 1 0 244.382 3.543 20 0 BHADRO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)nc1 ZINC000539833143 388783856 /nfs/dbraw/zinc/78/38/56/388783856.db2.gz MHUFYXQHGWUEAG-IJEWVQPXSA-N 1 0 244.382 3.543 20 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CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000539834503 388784134 /nfs/dbraw/zinc/78/41/34/388784134.db2.gz FXUGXSUCSIOVDR-ZDUSSCGKSA-N 1 0 221.344 3.680 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC2(C)C)c(C)c1 ZINC000539834858 388784190 /nfs/dbraw/zinc/78/41/90/388784190.db2.gz OTSGQPKXYQMGRD-UHFFFAOYSA-N 1 0 217.356 3.596 20 0 BHADRO CC(C)COc1ccc(C[N@H+](C)C2CCC2)cc1 ZINC000539835111 388783990 /nfs/dbraw/zinc/78/39/90/388783990.db2.gz HMTGPYBKQRIMSM-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)COc1ccc(C[N@@H+]2CCC2(C)C)cc1 ZINC000539835927 388784094 /nfs/dbraw/zinc/78/40/94/388784094.db2.gz WOPABAHZQZAQJE-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CCC1 ZINC000539836447 388783866 /nfs/dbraw/zinc/78/38/66/388783866.db2.gz GAUWKGCDVJZUQD-UHFFFAOYSA-N 1 0 237.774 3.941 20 0 BHADRO C[N@H+](Cc1ccc(-c2ccccc2)o1)C1CCC1 ZINC000539837617 388784160 /nfs/dbraw/zinc/78/41/60/388784160.db2.gz PFMATTXACINYSH-UHFFFAOYSA-N 1 0 241.334 3.931 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000539837700 388784182 /nfs/dbraw/zinc/78/41/82/388784182.db2.gz UXPIXJLBYHGQOO-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1csc2ccccc12 ZINC000539837984 388784006 /nfs/dbraw/zinc/78/40/06/388784006.db2.gz KEZTUJJBJWRDLV-UHFFFAOYSA-N 1 0 231.364 3.886 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000539838648 388782849 /nfs/dbraw/zinc/78/28/49/388782849.db2.gz DUKQNSNFNAFDPA-AWEZNQCLSA-N 1 0 243.350 3.824 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000539838649 388783890 /nfs/dbraw/zinc/78/38/90/388783890.db2.gz DUKQNSNFNAFDPA-CQSZACIVSA-N 1 0 243.350 3.824 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccs1 ZINC000539840378 388783939 /nfs/dbraw/zinc/78/39/39/388783939.db2.gz JHHVOHFVOAEGQY-BZPMIXESSA-N 1 0 235.396 3.901 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccs1 ZINC000539840379 388782642 /nfs/dbraw/zinc/78/26/42/388782642.db2.gz JHHVOHFVOAEGQY-DYEKYZERSA-N 1 0 235.396 3.901 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccs1 ZINC000539840381 388783393 /nfs/dbraw/zinc/78/33/93/388783393.db2.gz JHHVOHFVOAEGQY-MBNYWOFBSA-N 1 0 235.396 3.901 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccs1 ZINC000539840383 388783075 /nfs/dbraw/zinc/78/30/75/388783075.db2.gz JHHVOHFVOAEGQY-YRGRVCCFSA-N 1 0 235.396 3.901 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000539847023 324870854 /nfs/dbraw/zinc/87/08/54/324870854.db2.gz FUBYQLZFQWNVTN-KBPBESRZSA-N 1 0 248.414 3.695 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000539847024 388785337 /nfs/dbraw/zinc/78/53/37/388785337.db2.gz FUBYQLZFQWNVTN-KGLIPLIRSA-N 1 0 248.414 3.695 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000539847025 388785961 /nfs/dbraw/zinc/78/59/61/388785961.db2.gz FUBYQLZFQWNVTN-UONOGXRCSA-N 1 0 248.414 3.695 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000539847026 324871055 /nfs/dbraw/zinc/87/10/55/324871055.db2.gz FUBYQLZFQWNVTN-ZIAGYGMSSA-N 1 0 248.414 3.695 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000539852064 388785541 /nfs/dbraw/zinc/78/55/41/388785541.db2.gz LNQPNCKPZHCEKW-GFCCVEGCSA-N 1 0 223.385 3.760 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000539852065 388785621 /nfs/dbraw/zinc/78/56/21/388785621.db2.gz LNQPNCKPZHCEKW-LBPRGKRZSA-N 1 0 223.385 3.760 20 0 BHADRO CCc1ccc(C[NH2+]CCCc2cccs2)o1 ZINC000539853061 324870710 /nfs/dbraw/zinc/87/07/10/324870710.db2.gz BIMOEOZPUSRZBZ-UHFFFAOYSA-N 1 0 249.379 3.626 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000539854731 388784674 /nfs/dbraw/zinc/78/46/74/388784674.db2.gz GCNIDMJCDKVXGV-GUTXKFCHSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000539854733 388785650 /nfs/dbraw/zinc/78/56/50/388785650.db2.gz GCNIDMJCDKVXGV-GZBFAFLISA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000539854735 388785796 /nfs/dbraw/zinc/78/57/96/388785796.db2.gz GCNIDMJCDKVXGV-NFAWXSAZSA-N 1 0 235.371 3.627 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000539854736 388785003 /nfs/dbraw/zinc/78/50/03/388785003.db2.gz GCNIDMJCDKVXGV-UMVBOHGHSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000539856040 388784664 /nfs/dbraw/zinc/78/46/64/388784664.db2.gz OTGPFWPRTXNTDC-AWEZNQCLSA-N 1 0 248.414 3.839 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000539856042 324870748 /nfs/dbraw/zinc/87/07/48/324870748.db2.gz OTGPFWPRTXNTDC-CQSZACIVSA-N 1 0 248.414 3.839 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000539858588 324871732 /nfs/dbraw/zinc/87/17/32/324871732.db2.gz RDMBWYOLSRTHAM-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000539858857 388785818 /nfs/dbraw/zinc/78/58/18/388785818.db2.gz RDMBWYOLSRTHAM-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000539858859 324870905 /nfs/dbraw/zinc/87/09/05/324870905.db2.gz RDMBWYOLSRTHAM-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000539858860 388785939 /nfs/dbraw/zinc/78/59/39/388785939.db2.gz RDMBWYOLSRTHAM-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2sccc2C)C1 ZINC000539862054 388784941 /nfs/dbraw/zinc/78/49/41/388784941.db2.gz CJSVESVQAHYQIY-CYBMUJFWSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2sccc2C)C1 ZINC000539862056 388785180 /nfs/dbraw/zinc/78/51/80/388785180.db2.gz CJSVESVQAHYQIY-ZDUSSCGKSA-N 1 0 223.385 3.679 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1sccc1OC ZINC000539862936 388785991 /nfs/dbraw/zinc/78/59/91/388785991.db2.gz OGWFYTGYZRPMTE-LLVKDONJSA-N 1 0 241.400 3.625 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1sccc1OC ZINC000539862937 388785479 /nfs/dbraw/zinc/78/54/79/388785479.db2.gz OGWFYTGYZRPMTE-NSHDSACASA-N 1 0 241.400 3.625 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000539863456 388785442 /nfs/dbraw/zinc/78/54/42/388785442.db2.gz YGYOAENBCDQTAN-BBRMVZONSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000539863457 388784921 /nfs/dbraw/zinc/78/49/21/388784921.db2.gz YGYOAENBCDQTAN-CJNGLKHVSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000539863458 388785187 /nfs/dbraw/zinc/78/51/87/388785187.db2.gz YGYOAENBCDQTAN-CZUORRHYSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000539863459 388784767 /nfs/dbraw/zinc/78/47/67/388784767.db2.gz YGYOAENBCDQTAN-XJKSGUPXSA-N 1 0 247.382 3.793 20 0 BHADRO Cc1cc(C)cc(C2=CC[N@H+](CC3CC3)CC2)c1 ZINC000539885817 388787005 /nfs/dbraw/zinc/78/70/05/388787005.db2.gz PTKHKZCXTJFWAP-UHFFFAOYSA-N 1 0 241.378 3.803 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccs2)C[C@@H](C)C1 ZINC000539890491 388786792 /nfs/dbraw/zinc/78/67/92/388786792.db2.gz OKEGOZCPKJWIJR-NEPJUHHUSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccs2)C[C@H](C)C1 ZINC000539890492 388787554 /nfs/dbraw/zinc/78/75/54/388787554.db2.gz OKEGOZCPKJWIJR-NWDGAFQWSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccs2)C[C@@H](C)C1 ZINC000539890493 388787759 /nfs/dbraw/zinc/78/77/59/388787759.db2.gz OKEGOZCPKJWIJR-RYUDHWBXSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cccs2)C1 ZINC000539890494 388787575 /nfs/dbraw/zinc/78/75/75/388787575.db2.gz OKEGOZCPKJWIJR-VXGBXAGGSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)(C)C1=CC[N@H+](Cc2ccsc2)CC1 ZINC000539894294 388787161 /nfs/dbraw/zinc/78/71/61/388787161.db2.gz GYHCKADQMGQZNQ-UHFFFAOYSA-N 1 0 235.396 3.926 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000539895227 388787490 /nfs/dbraw/zinc/78/74/90/388787490.db2.gz BILCTGDJCJDFAK-INIZCTEOSA-N 1 0 246.398 3.935 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000539895234 388786606 /nfs/dbraw/zinc/78/66/06/388786606.db2.gz BILCTGDJCJDFAK-MRXNPFEDSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1ccoc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000539895845 388788073 /nfs/dbraw/zinc/78/80/73/388788073.db2.gz RASVPQADZZHLMF-UHFFFAOYSA-N 1 0 233.355 3.766 20 0 BHADRO CC(C)(C)C1=CC[N@H+](Cc2cccs2)CC1 ZINC000539896975 388787626 /nfs/dbraw/zinc/78/76/26/388787626.db2.gz SXMRGBLIZYPIBW-UHFFFAOYSA-N 1 0 235.396 3.926 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC2CC2)cc1C ZINC000539897930 388786803 /nfs/dbraw/zinc/78/68/03/388786803.db2.gz YXJYKZBIFYMZLD-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO C[N@H+](CCC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000539898727 388787089 /nfs/dbraw/zinc/78/70/89/388787089.db2.gz GFIGIMPRJMNHDQ-CVEARBPZSA-N 1 0 229.367 3.522 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000539899152 388787074 /nfs/dbraw/zinc/78/70/74/388787074.db2.gz RROHQQWFCVQXRQ-GFCCVEGCSA-N 1 0 238.400 3.688 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000539899153 388786695 /nfs/dbraw/zinc/78/66/95/388786695.db2.gz RROHQQWFCVQXRQ-LBPRGKRZSA-N 1 0 238.400 3.688 20 0 BHADRO CS[C@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000539899943 388786731 /nfs/dbraw/zinc/78/67/31/388786731.db2.gz ZOUYIULLYBRJTR-KBPBESRZSA-N 1 0 239.428 3.560 20 0 BHADRO CS[C@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000539899944 388786786 /nfs/dbraw/zinc/78/67/86/388786786.db2.gz ZOUYIULLYBRJTR-KGLIPLIRSA-N 1 0 239.428 3.560 20 0 BHADRO CS[C@@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000539899945 388788066 /nfs/dbraw/zinc/78/80/66/388788066.db2.gz ZOUYIULLYBRJTR-UONOGXRCSA-N 1 0 239.428 3.560 20 0 BHADRO CS[C@@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000539899946 388787207 /nfs/dbraw/zinc/78/72/07/388787207.db2.gz ZOUYIULLYBRJTR-ZIAGYGMSSA-N 1 0 239.428 3.560 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000539908242 388786943 /nfs/dbraw/zinc/78/69/43/388786943.db2.gz KRHKHWNAUYCLIK-CICKDAIQSA-N 1 0 229.367 3.963 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000539908243 388788082 /nfs/dbraw/zinc/78/80/82/388788082.db2.gz KRHKHWNAUYCLIK-CSNLRBTCSA-N 1 0 229.367 3.963 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1[C@H](C)CC[C@H]1C ZINC000539908244 324875406 /nfs/dbraw/zinc/87/54/06/324875406.db2.gz KRHKHWNAUYCLIK-MKQVVRHOSA-N 1 0 229.367 3.963 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1[C@H](C)CC[C@H]1C ZINC000539908245 388787715 /nfs/dbraw/zinc/78/77/15/388787715.db2.gz KRHKHWNAUYCLIK-MLOLEURXSA-N 1 0 229.367 3.963 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccnc2ccccc12 ZINC000539908322 388787934 /nfs/dbraw/zinc/78/79/34/388787934.db2.gz PJJJIPMGJYFCNK-BETUJISGSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccnc2ccccc12 ZINC000539908323 388786625 /nfs/dbraw/zinc/78/66/25/388786625.db2.gz PJJJIPMGJYFCNK-CHWSQXEVSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccnc2ccccc12 ZINC000539908324 388787786 /nfs/dbraw/zinc/78/77/86/388787786.db2.gz PJJJIPMGJYFCNK-STQMWFEESA-N 1 0 240.350 3.608 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000539908408 388787022 /nfs/dbraw/zinc/78/70/22/388787022.db2.gz VHLJVWPXLVMOOV-AYIQIARFSA-N 1 0 233.330 3.712 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C/c1ccc(F)cc1 ZINC000539908409 388787793 /nfs/dbraw/zinc/78/77/93/388787793.db2.gz VHLJVWPXLVMOOV-CDJBXZAQSA-N 1 0 233.330 3.712 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C\c1ccc(F)cc1 ZINC000539908410 388787280 /nfs/dbraw/zinc/78/72/80/388787280.db2.gz VHLJVWPXLVMOOV-FGTRRKKMSA-N 1 0 233.330 3.712 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000539908411 388787539 /nfs/dbraw/zinc/78/75/39/388787539.db2.gz VHLJVWPXLVMOOV-LGRKWKCASA-N 1 0 233.330 3.712 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000539908443 324875627 /nfs/dbraw/zinc/87/56/27/324875627.db2.gz XYUUVCSNUCJTOJ-KBPBESRZSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000539908444 388787010 /nfs/dbraw/zinc/78/70/10/388787010.db2.gz XYUUVCSNUCJTOJ-OKILXGFUSA-N 1 0 247.382 3.847 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000539908445 324873624 /nfs/dbraw/zinc/87/36/24/324873624.db2.gz XYUUVCSNUCJTOJ-ZIAGYGMSSA-N 1 0 247.382 3.847 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000539908759 388786843 /nfs/dbraw/zinc/78/68/43/388786843.db2.gz OCSVFCCMKACAQP-CLWVCHIJSA-N 1 0 229.367 3.663 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000539908760 388787500 /nfs/dbraw/zinc/78/75/00/388787500.db2.gz OCSVFCCMKACAQP-LQKXBSAESA-N 1 0 229.367 3.663 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000539908761 388787016 /nfs/dbraw/zinc/78/70/16/388787016.db2.gz OCSVFCCMKACAQP-OCVGTWLNSA-N 1 0 229.367 3.663 20 0 BHADRO CCc1ccc(C[N@H+]2CC[C@@H](CC)C2)s1 ZINC000539911417 388788946 /nfs/dbraw/zinc/78/89/46/388788946.db2.gz NHFNHMYLGIZLPY-LLVKDONJSA-N 1 0 223.385 3.542 20 0 BHADRO CCc1ccc(C[N@H+]2CC[C@H](CC)C2)s1 ZINC000539911419 388789676 /nfs/dbraw/zinc/78/96/76/388789676.db2.gz NHFNHMYLGIZLPY-NSHDSACASA-N 1 0 223.385 3.542 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000539912400 388789800 /nfs/dbraw/zinc/78/98/00/388789800.db2.gz VUNKNMGMENOJJJ-JTQLQIEISA-N 1 0 243.803 3.879 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000539912402 388789409 /nfs/dbraw/zinc/78/94/09/388789409.db2.gz VUNKNMGMENOJJJ-SNVBAGLBSA-N 1 0 243.803 3.879 20 0 BHADRO Cc1ccsc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000539913271 388789602 /nfs/dbraw/zinc/78/96/02/388789602.db2.gz LYCFTVQFKZLKTF-GFCCVEGCSA-N 1 0 223.385 3.534 20 0 BHADRO Cc1ccsc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000539913272 388788548 /nfs/dbraw/zinc/78/85/48/388788548.db2.gz LYCFTVQFKZLKTF-LBPRGKRZSA-N 1 0 223.385 3.534 20 0 BHADRO c1cc(-c2ccccc2)oc1C[NH+]1CCCCC1 ZINC000539924103 324876115 /nfs/dbraw/zinc/87/61/15/324876115.db2.gz PFAWLZMESKPFKB-UHFFFAOYSA-N 1 0 241.334 3.933 20 0 BHADRO COC(C)(C)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000539927332 388790031 /nfs/dbraw/zinc/79/00/31/388790031.db2.gz NGDKUZUSOXZATI-UHFFFAOYSA-N 1 0 249.398 3.667 20 0 BHADRO FC(F)(F)CC[N@H+](CC1CCCCC1)C1CC1 ZINC000539958024 323077324 /nfs/dbraw/zinc/07/73/24/323077324.db2.gz AEXFMTNUTYQTOJ-UHFFFAOYSA-N 1 0 249.320 3.984 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000539968829 324879549 /nfs/dbraw/zinc/87/95/49/324879549.db2.gz APBITRIYYKHWBJ-GWCFXTLKSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000539968831 324879519 /nfs/dbraw/zinc/87/95/19/324879519.db2.gz APBITRIYYKHWBJ-GXFFZTMASA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000539968832 388791070 /nfs/dbraw/zinc/79/10/70/388791070.db2.gz APBITRIYYKHWBJ-MFKMUULPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000539968833 388791089 /nfs/dbraw/zinc/79/10/89/388791089.db2.gz APBITRIYYKHWBJ-ZWNOBZJWSA-N 1 0 238.350 3.696 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000539968874 324879762 /nfs/dbraw/zinc/87/97/62/324879762.db2.gz ZOYPDEBTWFLHQW-KKUMJFAQSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000539968876 388791196 /nfs/dbraw/zinc/79/11/96/388791196.db2.gz ZOYPDEBTWFLHQW-RRFJBIMHSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000539968879 324879690 /nfs/dbraw/zinc/87/96/90/324879690.db2.gz ZOYPDEBTWFLHQW-SOUVJXGZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000539968881 388790739 /nfs/dbraw/zinc/79/07/39/388790739.db2.gz ZOYPDEBTWFLHQW-ZNMIVQPWSA-N 1 0 239.403 3.526 20 0 BHADRO C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000539970057 324879787 /nfs/dbraw/zinc/87/97/87/324879787.db2.gz FSNUJTFBDZVUJI-GFCCVEGCSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000539970058 388790376 /nfs/dbraw/zinc/79/03/76/388790376.db2.gz FSNUJTFBDZVUJI-LBPRGKRZSA-N 1 0 247.357 3.537 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000539977505 388790624 /nfs/dbraw/zinc/79/06/24/388790624.db2.gz GOMSRSRVWJFLCA-ILXRZTDVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000539977506 388791018 /nfs/dbraw/zinc/79/10/18/388791018.db2.gz GOMSRSRVWJFLCA-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000539977507 324880548 /nfs/dbraw/zinc/88/05/48/324880548.db2.gz GOMSRSRVWJFLCA-QLFBSQMISA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000539977508 388791569 /nfs/dbraw/zinc/79/15/69/388791569.db2.gz GOMSRSRVWJFLCA-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@H](C)c1ncc(C)o1 ZINC000540011382 388790992 /nfs/dbraw/zinc/79/09/92/388790992.db2.gz RHRGCFZIEUYUEN-GFCCVEGCSA-N 1 0 238.375 3.802 20 0 BHADRO CCC(CC)C[N@H+](CC)[C@@H](C)c1ncc(C)o1 ZINC000540011383 388791059 /nfs/dbraw/zinc/79/10/59/388791059.db2.gz RHRGCFZIEUYUEN-LBPRGKRZSA-N 1 0 238.375 3.802 20 0 BHADRO C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)CC12CCC2 ZINC000540042683 388793654 /nfs/dbraw/zinc/79/36/54/388793654.db2.gz ISAUXKXKGBFFOK-KBPBESRZSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)CC12CCC2 ZINC000540042686 388792738 /nfs/dbraw/zinc/79/27/38/388792738.db2.gz ISAUXKXKGBFFOK-KGLIPLIRSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)CC12CCC2 ZINC000540042687 388793017 /nfs/dbraw/zinc/79/30/17/388793017.db2.gz ISAUXKXKGBFFOK-UONOGXRCSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)CC12CCC2 ZINC000540042688 388793176 /nfs/dbraw/zinc/79/31/76/388793176.db2.gz ISAUXKXKGBFFOK-ZIAGYGMSSA-N 1 0 219.372 3.607 20 0 BHADRO CCc1ccc(C2=CC[N@H+](CCCF)CC2)cc1 ZINC000540059873 388795348 /nfs/dbraw/zinc/79/53/48/388795348.db2.gz VRKUJWVOXFSVAY-UHFFFAOYSA-N 1 0 247.357 3.698 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ccc(OC)cc1 ZINC000540059944 388794352 /nfs/dbraw/zinc/79/43/52/388794352.db2.gz YUZBHYBBXWRIGX-DZGCQCFKSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1ccc(OC)cc1 ZINC000540059945 388794504 /nfs/dbraw/zinc/79/45/04/388794504.db2.gz YUZBHYBBXWRIGX-HIFRSBDPSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1ccc(OC)cc1 ZINC000540059946 388795229 /nfs/dbraw/zinc/79/52/29/388795229.db2.gz YUZBHYBBXWRIGX-UKRRQHHQSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1ccc(OC)cc1 ZINC000540059947 388794615 /nfs/dbraw/zinc/79/46/15/388794615.db2.gz YUZBHYBBXWRIGX-ZFWWWQNUSA-N 1 0 247.382 3.501 20 0 BHADRO CC(C)(C)C1=CC[N@@H+](C2CCCC2)CC1 ZINC000540062279 388795431 /nfs/dbraw/zinc/79/54/31/388795431.db2.gz SGMKLIDSGHBPFJ-UHFFFAOYSA-N 1 0 207.361 3.607 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)C1CCCC1 ZINC000540065363 388794555 /nfs/dbraw/zinc/79/45/55/388794555.db2.gz DWORODNKOMWZMW-CYBMUJFWSA-N 1 0 217.356 3.930 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)C1CCCC1 ZINC000540065368 388794302 /nfs/dbraw/zinc/79/43/02/388794302.db2.gz DWORODNKOMWZMW-ZDUSSCGKSA-N 1 0 217.356 3.930 20 0 BHADRO C[C@H]1c2ccsc2CC[N@@H+]1C1CCCC1 ZINC000540065966 388795022 /nfs/dbraw/zinc/79/50/22/388795022.db2.gz DNRMVZJPUOVZPI-JTQLQIEISA-N 1 0 221.369 3.610 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@@H+]1C1CCCC1 ZINC000540065968 388794055 /nfs/dbraw/zinc/79/40/55/388794055.db2.gz DNRMVZJPUOVZPI-SNVBAGLBSA-N 1 0 221.369 3.610 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000540066490 388794933 /nfs/dbraw/zinc/79/49/33/388794933.db2.gz FNSZUYSJBJMYKP-AWEZNQCLSA-N 1 0 229.367 3.727 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000540066491 388794681 /nfs/dbraw/zinc/79/46/81/388794681.db2.gz FNSZUYSJBJMYKP-CQSZACIVSA-N 1 0 229.367 3.727 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000540066687 388794484 /nfs/dbraw/zinc/79/44/84/388794484.db2.gz SVKZLZLWXVYFNB-BPUTZDHNSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000540066688 324884733 /nfs/dbraw/zinc/88/47/33/324884733.db2.gz SVKZLZLWXVYFNB-IMJJTQAJSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000540066690 388794923 /nfs/dbraw/zinc/79/49/23/388794923.db2.gz SVKZLZLWXVYFNB-NUEKZKHPSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C1CCCC1 ZINC000540066933 388794323 /nfs/dbraw/zinc/79/43/23/388794323.db2.gz LECQDRSTQSCYFL-DZGCQCFKSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C1CCCC1 ZINC000540066934 388794409 /nfs/dbraw/zinc/79/44/09/388794409.db2.gz LECQDRSTQSCYFL-HIFRSBDPSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C1CCCC1 ZINC000540066935 388795194 /nfs/dbraw/zinc/79/51/94/388795194.db2.gz LECQDRSTQSCYFL-UKRRQHHQSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C1CCCC1 ZINC000540066936 388795417 /nfs/dbraw/zinc/79/54/17/388795417.db2.gz LECQDRSTQSCYFL-ZFWWWQNUSA-N 1 0 229.367 3.807 20 0 BHADRO Fc1ccccc1C1CC[NH+](C2CCCC2)CC1 ZINC000540067016 324884857 /nfs/dbraw/zinc/88/48/57/324884857.db2.gz MFLYGFWJWURKGB-UHFFFAOYSA-N 1 0 247.357 3.948 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000540067151 388794755 /nfs/dbraw/zinc/79/47/55/388794755.db2.gz VPZFFPMTUOVBPT-AWEZNQCLSA-N 1 0 231.383 3.800 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000540067152 388794917 /nfs/dbraw/zinc/79/49/17/388794917.db2.gz VPZFFPMTUOVBPT-CQSZACIVSA-N 1 0 231.383 3.800 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000540067179 324884820 /nfs/dbraw/zinc/88/48/20/324884820.db2.gz PEFVIOCRZWNRFD-GHMZBOCLSA-N 1 0 241.325 3.704 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000540067180 324884804 /nfs/dbraw/zinc/88/48/04/324884804.db2.gz PEFVIOCRZWNRFD-MNOVXSKESA-N 1 0 241.325 3.704 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000540067181 324884491 /nfs/dbraw/zinc/88/44/91/324884491.db2.gz PEFVIOCRZWNRFD-QWRGUYRKSA-N 1 0 241.325 3.704 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000540067182 324884760 /nfs/dbraw/zinc/88/47/60/324884760.db2.gz PEFVIOCRZWNRFD-WDEREUQCSA-N 1 0 241.325 3.704 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000540067220 388795083 /nfs/dbraw/zinc/79/50/83/388795083.db2.gz QZESKRSJMUCJGC-CYBMUJFWSA-N 1 0 209.377 3.830 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000540067222 388795208 /nfs/dbraw/zinc/79/52/08/388795208.db2.gz QZESKRSJMUCJGC-ZDUSSCGKSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540068137 388795313 /nfs/dbraw/zinc/79/53/13/388795313.db2.gz XSHFQUUHXXZRTP-BCUIYNNISA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540068138 388794721 /nfs/dbraw/zinc/79/47/21/388794721.db2.gz XSHFQUUHXXZRTP-JFILPPLUSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000540068139 388795013 /nfs/dbraw/zinc/79/50/13/388795013.db2.gz XSHFQUUHXXZRTP-VLXAULBPSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540068140 324883954 /nfs/dbraw/zinc/88/39/54/324883954.db2.gz XSHFQUUHXXZRTP-VPWBDBDCSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2ncccc2C)C1 ZINC000540068175 388794396 /nfs/dbraw/zinc/79/43/96/388794396.db2.gz ADUKKPKZKIBWND-INIZCTEOSA-N 1 0 246.398 3.792 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2ncccc2C)C1 ZINC000540068176 388794444 /nfs/dbraw/zinc/79/44/44/388794444.db2.gz ADUKKPKZKIBWND-MRXNPFEDSA-N 1 0 246.398 3.792 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000540069201 388795363 /nfs/dbraw/zinc/79/53/63/388795363.db2.gz QHXMSOFSSDJSOH-CABCVRRESA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@H](C)C[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000540069203 324884871 /nfs/dbraw/zinc/88/48/71/324884871.db2.gz QHXMSOFSSDJSOH-GJZGRUSLSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000540069204 388794869 /nfs/dbraw/zinc/79/48/69/388794869.db2.gz QHXMSOFSSDJSOH-HUUCEWRRSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@H](C)C[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000540069206 324883930 /nfs/dbraw/zinc/88/39/30/324883930.db2.gz QHXMSOFSSDJSOH-LSDHHAIUSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@H](C)C[NH2+]CCCCN(C)c1ccccc1 ZINC000540069555 388795449 /nfs/dbraw/zinc/79/54/49/388795449.db2.gz TWBWUECIKHEXNE-HNNXBMFYSA-N 1 0 248.414 3.539 20 0 BHADRO CC[C@@H](C)C[NH2+]CCCCN(C)c1ccccc1 ZINC000540069556 324884988 /nfs/dbraw/zinc/88/49/88/324884988.db2.gz TWBWUECIKHEXNE-OAHLLOKOSA-N 1 0 248.414 3.539 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000540071288 388794180 /nfs/dbraw/zinc/79/41/80/388794180.db2.gz OROFHANKBWXRLP-GDBMZVCRSA-N 1 0 248.414 3.759 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000540071290 388794971 /nfs/dbraw/zinc/79/49/71/388794971.db2.gz OROFHANKBWXRLP-GOEBONIOSA-N 1 0 248.414 3.759 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000540071292 324885461 /nfs/dbraw/zinc/88/54/61/324885461.db2.gz OROFHANKBWXRLP-HOCLYGCPSA-N 1 0 248.414 3.759 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000540071293 388794957 /nfs/dbraw/zinc/79/49/57/388794957.db2.gz OROFHANKBWXRLP-ZBFHGGJFSA-N 1 0 248.414 3.759 20 0 BHADRO Fc1ccc(C[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000540077482 388794490 /nfs/dbraw/zinc/79/44/90/388794490.db2.gz SCYCFFWZVWYKSY-INIZCTEOSA-N 1 0 247.357 3.775 20 0 BHADRO Fc1ccc(C[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000540077484 388794380 /nfs/dbraw/zinc/79/43/80/388794380.db2.gz SCYCFFWZVWYKSY-MRXNPFEDSA-N 1 0 247.357 3.775 20 0 BHADRO Fc1ccc(C2=CC[N@@H+](C3CCCC3)CC2)cc1 ZINC000540078562 388795270 /nfs/dbraw/zinc/79/52/70/388795270.db2.gz XQKXBGHTCHRTDQ-UHFFFAOYSA-N 1 0 245.341 3.857 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000540085018 388795301 /nfs/dbraw/zinc/79/53/01/388795301.db2.gz HRSPMRFLLCYZHV-AWEZNQCLSA-N 1 0 235.371 3.844 20 0 BHADRO CCCC[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000540085020 388795258 /nfs/dbraw/zinc/79/52/58/388795258.db2.gz HRSPMRFLLCYZHV-CQSZACIVSA-N 1 0 235.371 3.844 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000540117313 324887239 /nfs/dbraw/zinc/88/72/39/324887239.db2.gz CRWBLQLGEJVBKA-COXVUDFISA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C2CC2)cc1 ZINC000540117314 388796688 /nfs/dbraw/zinc/79/66/88/388796688.db2.gz CRWBLQLGEJVBKA-JQFCIGGWSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@@H]2C)C2CC2)cc1 ZINC000540117315 388796407 /nfs/dbraw/zinc/79/64/07/388796407.db2.gz CRWBLQLGEJVBKA-XKQJLSEDSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@H]2C)C2CC2)cc1 ZINC000540117316 388796633 /nfs/dbraw/zinc/79/66/33/388796633.db2.gz CRWBLQLGEJVBKA-XYPHTWIQSA-N 1 0 243.394 3.562 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000540117773 324886903 /nfs/dbraw/zinc/88/69/03/324886903.db2.gz LBYCFXYYEOWMAX-DAXOMENPSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000540117774 324886943 /nfs/dbraw/zinc/88/69/43/324886943.db2.gz LBYCFXYYEOWMAX-KCXAZCMYSA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000540117775 324887053 /nfs/dbraw/zinc/88/70/53/324887053.db2.gz LBYCFXYYEOWMAX-UHOFOFEASA-N 1 0 229.367 3.773 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000540117776 388795390 /nfs/dbraw/zinc/79/53/90/388795390.db2.gz LBYCFXYYEOWMAX-WQVCFCJDSA-N 1 0 229.367 3.773 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc(C)c1F ZINC000540118831 388796777 /nfs/dbraw/zinc/79/67/77/388796777.db2.gz WFFBUEPCDOFCDT-DUFXMDAXSA-N 1 0 235.346 3.749 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc(C)c1F ZINC000540118832 388796609 /nfs/dbraw/zinc/79/66/09/388796609.db2.gz WFFBUEPCDOFCDT-LJWDBELGSA-N 1 0 235.346 3.749 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc(C)c1F ZINC000540118833 324886928 /nfs/dbraw/zinc/88/69/28/324886928.db2.gz WFFBUEPCDOFCDT-LQJRIPTKSA-N 1 0 235.346 3.749 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc(C)c1F ZINC000540118834 388796997 /nfs/dbraw/zinc/79/69/97/388796997.db2.gz WFFBUEPCDOFCDT-WFBYXXMGSA-N 1 0 235.346 3.749 20 0 BHADRO COc1cccc2c1CC[C@@H]2[NH2+]CCC(C)(C)C ZINC000540119944 324886895 /nfs/dbraw/zinc/88/68/95/324886895.db2.gz VUBOCCVJJYXHNX-AWEZNQCLSA-N 1 0 247.382 3.708 20 0 BHADRO COc1cccc2c1CC[C@H]2[NH2+]CCC(C)(C)C ZINC000540119946 324887385 /nfs/dbraw/zinc/88/73/85/324887385.db2.gz VUBOCCVJJYXHNX-CQSZACIVSA-N 1 0 247.382 3.708 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000540137435 388796436 /nfs/dbraw/zinc/79/64/36/388796436.db2.gz VQMFWQNIHMOWJF-AWEZNQCLSA-N 1 0 243.435 3.590 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000540137436 388796734 /nfs/dbraw/zinc/79/67/34/388796734.db2.gz VQMFWQNIHMOWJF-CQSZACIVSA-N 1 0 243.435 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000540140063 388796499 /nfs/dbraw/zinc/79/64/99/388796499.db2.gz ZYSNKEYOFVOMPX-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000540140064 324888170 /nfs/dbraw/zinc/88/81/70/324888170.db2.gz ZYSNKEYOFVOMPX-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000540140065 324888246 /nfs/dbraw/zinc/88/82/46/324888246.db2.gz ZYSNKEYOFVOMPX-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000540140066 324887752 /nfs/dbraw/zinc/88/77/52/324887752.db2.gz ZYSNKEYOFVOMPX-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1CC1 ZINC000540144354 388795801 /nfs/dbraw/zinc/79/58/01/388795801.db2.gz YCENTQMELYVAFM-LLVKDONJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1CC1 ZINC000540144355 324888123 /nfs/dbraw/zinc/88/81/23/324888123.db2.gz YCENTQMELYVAFM-NSHDSACASA-N 1 0 249.785 3.760 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000540144720 324888174 /nfs/dbraw/zinc/88/81/74/324888174.db2.gz QAMVPTATBMPVOW-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000540144721 324887874 /nfs/dbraw/zinc/88/78/74/324887874.db2.gz QAMVPTATBMPVOW-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000540144722 324887817 /nfs/dbraw/zinc/88/78/17/324887817.db2.gz QAMVPTATBMPVOW-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(C)CCOCC1 ZINC000540144723 324887841 /nfs/dbraw/zinc/88/78/41/324887841.db2.gz QAMVPTATBMPVOW-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000540146477 324887737 /nfs/dbraw/zinc/88/77/37/324887737.db2.gz GSMKIPMPRAHYOF-AWEZNQCLSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000540146478 388796365 /nfs/dbraw/zinc/79/63/65/388796365.db2.gz GSMKIPMPRAHYOF-CQSZACIVSA-N 1 0 231.383 3.643 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000540146791 324888180 /nfs/dbraw/zinc/88/81/80/324888180.db2.gz LUDBKDQWGZWLAK-GFCCVEGCSA-N 1 0 235.371 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000540146792 324887948 /nfs/dbraw/zinc/88/79/48/324887948.db2.gz LUDBKDQWGZWLAK-LBPRGKRZSA-N 1 0 235.371 3.528 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000540148582 388796591 /nfs/dbraw/zinc/79/65/91/388796591.db2.gz UUYHCKDONDIMSJ-BZPMIXESSA-N 1 0 249.423 3.884 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000540148583 388796543 /nfs/dbraw/zinc/79/65/43/388796543.db2.gz UUYHCKDONDIMSJ-OUCADQQQSA-N 1 0 249.423 3.884 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000540148584 388796574 /nfs/dbraw/zinc/79/65/74/388796574.db2.gz UUYHCKDONDIMSJ-SCRDCRAPSA-N 1 0 249.423 3.884 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000540148585 324887652 /nfs/dbraw/zinc/88/76/52/324887652.db2.gz UUYHCKDONDIMSJ-YRGRVCCFSA-N 1 0 249.423 3.884 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H](C)CC1CC1)OC ZINC000540149380 388795949 /nfs/dbraw/zinc/79/59/49/388795949.db2.gz OCRMZDMZJPYJCR-DOMZBBRYSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H](C)CC1CC1)OC ZINC000540149381 388796984 /nfs/dbraw/zinc/79/69/84/388796984.db2.gz OCRMZDMZJPYJCR-IUODEOHRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)CC1CC1)OC ZINC000540149397 388796765 /nfs/dbraw/zinc/79/67/65/388796765.db2.gz OCRMZDMZJPYJCR-SWLSCSKDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H](C)CC1CC1)OC ZINC000540149398 388796452 /nfs/dbraw/zinc/79/64/52/388796452.db2.gz OCRMZDMZJPYJCR-WFASDCNBSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)C1(C)CC1 ZINC000540150094 324888128 /nfs/dbraw/zinc/88/81/28/324888128.db2.gz BARLNJMUKLSXSY-AWEZNQCLSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)C1(C)CC1 ZINC000540150096 388796570 /nfs/dbraw/zinc/79/65/70/388796570.db2.gz BARLNJMUKLSXSY-CQSZACIVSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1 ZINC000540152752 388797611 /nfs/dbraw/zinc/79/76/11/388797611.db2.gz OJZMQNNEXKGIBD-GDBMZVCRSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1 ZINC000540152753 324888848 /nfs/dbraw/zinc/88/88/48/324888848.db2.gz OJZMQNNEXKGIBD-GOEBONIOSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1 ZINC000540152754 388798504 /nfs/dbraw/zinc/79/85/04/388798504.db2.gz OJZMQNNEXKGIBD-HOCLYGCPSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1 ZINC000540152755 324888949 /nfs/dbraw/zinc/88/89/49/324888949.db2.gz OJZMQNNEXKGIBD-ZBFHGGJFSA-N 1 0 247.382 3.672 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000540154649 324888908 /nfs/dbraw/zinc/88/89/08/324888908.db2.gz WYXGGTDLDOTAOY-BXUZGUMPSA-N 1 0 249.423 3.750 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000540154650 324889003 /nfs/dbraw/zinc/88/90/03/324889003.db2.gz WYXGGTDLDOTAOY-FZMZJTMJSA-N 1 0 249.423 3.750 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000540154651 388798354 /nfs/dbraw/zinc/79/83/54/388798354.db2.gz WYXGGTDLDOTAOY-RISCZKNCSA-N 1 0 249.423 3.750 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000540154652 388798562 /nfs/dbraw/zinc/79/85/62/388798562.db2.gz WYXGGTDLDOTAOY-SMDDNHRTSA-N 1 0 249.423 3.750 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000540154712 388797841 /nfs/dbraw/zinc/79/78/41/388797841.db2.gz VANIHJXHSGAFOK-CHWSQXEVSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000540154713 388798801 /nfs/dbraw/zinc/79/88/01/388798801.db2.gz VANIHJXHSGAFOK-OLZOCXBDSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000540154715 388798555 /nfs/dbraw/zinc/79/85/55/388798555.db2.gz VANIHJXHSGAFOK-QWHCGFSZSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000540154716 324888866 /nfs/dbraw/zinc/88/88/66/324888866.db2.gz VANIHJXHSGAFOK-STQMWFEESA-N 1 0 245.357 3.979 20 0 BHADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C(C)C)cc1 ZINC000540155331 324888721 /nfs/dbraw/zinc/88/87/21/324888721.db2.gz KDECJDOGBYGMPB-KBPBESRZSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C(C)C)cc1 ZINC000540155333 388798528 /nfs/dbraw/zinc/79/85/28/388798528.db2.gz KDECJDOGBYGMPB-KGLIPLIRSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)C(C)C)cc1 ZINC000540155335 324888693 /nfs/dbraw/zinc/88/86/93/324888693.db2.gz KDECJDOGBYGMPB-UONOGXRCSA-N 1 0 249.398 3.508 20 0 BHADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C(C)C)cc1 ZINC000540155336 324888570 /nfs/dbraw/zinc/88/85/70/324888570.db2.gz KDECJDOGBYGMPB-ZIAGYGMSSA-N 1 0 249.398 3.508 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000540158318 388798345 /nfs/dbraw/zinc/79/83/45/388798345.db2.gz PVFVPGVULURQPD-INIZCTEOSA-N 1 0 247.382 3.775 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000540158322 388798789 /nfs/dbraw/zinc/79/87/89/388798789.db2.gz PVFVPGVULURQPD-MRXNPFEDSA-N 1 0 247.382 3.775 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000540159731 324889012 /nfs/dbraw/zinc/88/90/12/324889012.db2.gz NDBOODGWBVCBQH-ABAIWWIYSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000540159732 324888996 /nfs/dbraw/zinc/88/89/96/324888996.db2.gz NDBOODGWBVCBQH-IAQYHMDHSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000540159733 388797857 /nfs/dbraw/zinc/79/78/57/388797857.db2.gz NDBOODGWBVCBQH-NHYWBVRUSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000540159734 324888607 /nfs/dbraw/zinc/88/86/07/324888607.db2.gz NDBOODGWBVCBQH-XHDPSFHLSA-N 1 0 229.367 3.797 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CCCC1)CO2 ZINC000540163887 324889657 /nfs/dbraw/zinc/88/96/57/324889657.db2.gz PMXGCPXJPUTNET-DOMZBBRYSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CCCC1)CO2 ZINC000540163889 324889480 /nfs/dbraw/zinc/88/94/80/324889480.db2.gz PMXGCPXJPUTNET-IUODEOHRSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CCCC1)CO2 ZINC000540163891 388798225 /nfs/dbraw/zinc/79/82/25/388798225.db2.gz PMXGCPXJPUTNET-SWLSCSKDSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CCCC1)CO2 ZINC000540163893 324889884 /nfs/dbraw/zinc/88/98/84/324889884.db2.gz PMXGCPXJPUTNET-WFASDCNBSA-N 1 0 245.366 3.597 20 0 BHADRO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)C1(C)CC1 ZINC000540163998 388798721 /nfs/dbraw/zinc/79/87/21/388798721.db2.gz OWKVTNXVEDJHDN-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C1(C)CC1 ZINC000540163999 388798365 /nfs/dbraw/zinc/79/83/65/388798365.db2.gz OWKVTNXVEDJHDN-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000540164426 324889660 /nfs/dbraw/zinc/88/96/60/324889660.db2.gz UWUVNTOJCPIZPH-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000540164427 388796562 /nfs/dbraw/zinc/79/65/62/388796562.db2.gz UWUVNTOJCPIZPH-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000540164428 324887743 /nfs/dbraw/zinc/88/77/43/324887743.db2.gz UWUVNTOJCPIZPH-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000540164429 324888110 /nfs/dbraw/zinc/88/81/10/324888110.db2.gz UWUVNTOJCPIZPH-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000540167490 388798094 /nfs/dbraw/zinc/79/80/94/388798094.db2.gz GYSIAYRUNIORDI-HZMBPMFUSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000540167491 388797653 /nfs/dbraw/zinc/79/76/53/388797653.db2.gz GYSIAYRUNIORDI-IINYFYTJSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000540167492 324889542 /nfs/dbraw/zinc/88/95/42/324889542.db2.gz GYSIAYRUNIORDI-QMTHXVAHSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000540167493 324889592 /nfs/dbraw/zinc/88/95/92/324889592.db2.gz GYSIAYRUNIORDI-YGRLFVJLSA-N 1 0 245.297 3.757 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccccc1N(C)C ZINC000540169119 324889553 /nfs/dbraw/zinc/88/95/53/324889553.db2.gz CSPPHKBSLYHZPA-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccccc1N(C)C ZINC000540169120 324889770 /nfs/dbraw/zinc/88/97/70/324889770.db2.gz CSPPHKBSLYHZPA-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]C2CCC2)C(C)C)cc1 ZINC000540169509 388798380 /nfs/dbraw/zinc/79/83/80/388798380.db2.gz UVODWSYSUDTDOP-INIZCTEOSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]C2CCC2)C(C)C)cc1 ZINC000540169510 324889844 /nfs/dbraw/zinc/88/98/44/324889844.db2.gz UVODWSYSUDTDOP-MRXNPFEDSA-N 1 0 231.383 3.704 20 0 BHADRO c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000540169945 388798592 /nfs/dbraw/zinc/79/85/92/388798592.db2.gz WDSKOBIMRYPKPH-DOTOQJQBSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(CC[C@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000540169947 388797926 /nfs/dbraw/zinc/79/79/26/388797926.db2.gz WDSKOBIMRYPKPH-NVXWUHKLSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000540169948 388798297 /nfs/dbraw/zinc/79/82/97/388798297.db2.gz WDSKOBIMRYPKPH-RDJZCZTQSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000540169950 388797518 /nfs/dbraw/zinc/79/75/18/388797518.db2.gz WDSKOBIMRYPKPH-WBVHZDCISA-N 1 0 243.394 3.930 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000540171868 388797560 /nfs/dbraw/zinc/79/75/60/388797560.db2.gz FBZDHIBMQORGSQ-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000540171869 324889810 /nfs/dbraw/zinc/88/98/10/324889810.db2.gz FBZDHIBMQORGSQ-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000540173055 324889429 /nfs/dbraw/zinc/88/94/29/324889429.db2.gz ADCIKGLXCQMRJS-DIOULYMOSA-N 1 0 245.341 3.757 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000540173056 324889673 /nfs/dbraw/zinc/88/96/73/324889673.db2.gz ADCIKGLXCQMRJS-DJSGYFEHSA-N 1 0 245.341 3.757 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000540173057 388797726 /nfs/dbraw/zinc/79/77/26/388797726.db2.gz ADCIKGLXCQMRJS-WPGHFRTFSA-N 1 0 245.341 3.757 20 0 BHADRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000540173058 324890615 /nfs/dbraw/zinc/89/06/15/324890615.db2.gz ADCIKGLXCQMRJS-XFJVYGCCSA-N 1 0 245.341 3.757 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000540174050 324890236 /nfs/dbraw/zinc/89/02/36/324890236.db2.gz DFLPRHTTWFTGMY-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000540174051 388798459 /nfs/dbraw/zinc/79/84/59/388798459.db2.gz DFLPRHTTWFTGMY-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000540174052 324890162 /nfs/dbraw/zinc/89/01/62/324890162.db2.gz DFLPRHTTWFTGMY-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000540174457 388797620 /nfs/dbraw/zinc/79/76/20/388797620.db2.gz DFLPRHTTWFTGMY-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@@H](C)[C@@H](C)CC ZINC000540176350 388797522 /nfs/dbraw/zinc/79/75/22/388797522.db2.gz CDPGQONHWHAXEN-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@@H](C)[C@H](C)CC ZINC000540176351 388797685 /nfs/dbraw/zinc/79/76/85/388797685.db2.gz CDPGQONHWHAXEN-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@H](C)[C@@H](C)CC ZINC000540176352 388797472 /nfs/dbraw/zinc/79/74/72/388797472.db2.gz CDPGQONHWHAXEN-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@H](C)[C@H](C)CC ZINC000540176353 324890550 /nfs/dbraw/zinc/89/05/50/324890550.db2.gz CDPGQONHWHAXEN-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)OC)C1CCCCC1 ZINC000540181430 388797716 /nfs/dbraw/zinc/79/77/16/388797716.db2.gz HGDRPAGSUDOIOT-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)OC)C1CCCCC1 ZINC000540181431 388795775 /nfs/dbraw/zinc/79/57/75/388795775.db2.gz HGDRPAGSUDOIOT-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000540182846 324890620 /nfs/dbraw/zinc/89/06/20/324890620.db2.gz UCOYQNWLSNRARH-CHWSQXEVSA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000540182849 324890272 /nfs/dbraw/zinc/89/02/72/324890272.db2.gz UCOYQNWLSNRARH-OLZOCXBDSA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000540182851 388798477 /nfs/dbraw/zinc/79/84/77/388798477.db2.gz UCOYQNWLSNRARH-QWHCGFSZSA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1cc2ccccc2o1 ZINC000540182853 388797833 /nfs/dbraw/zinc/79/78/33/388797833.db2.gz UCOYQNWLSNRARH-STQMWFEESA-N 1 0 245.366 4.000 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000540183009 324890626 /nfs/dbraw/zinc/89/06/26/324890626.db2.gz ZZLXCVUMCICVPG-BFHYXJOUSA-N 1 0 248.414 3.838 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000540183010 324890426 /nfs/dbraw/zinc/89/04/26/324890426.db2.gz ZZLXCVUMCICVPG-IHRRRGAJSA-N 1 0 248.414 3.838 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000540183011 324890604 /nfs/dbraw/zinc/89/06/04/324890604.db2.gz ZZLXCVUMCICVPG-MELADBBJSA-N 1 0 248.414 3.838 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000540183012 324890704 /nfs/dbraw/zinc/89/07/04/324890704.db2.gz ZZLXCVUMCICVPG-MJBXVCDLSA-N 1 0 248.414 3.838 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000540183357 388797676 /nfs/dbraw/zinc/79/76/76/388797676.db2.gz HGFANEQOJNDXNI-INIZCTEOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC2(C)CC2)C2CC2)cc1 ZINC000540183362 388797789 /nfs/dbraw/zinc/79/77/89/388797789.db2.gz HGFANEQOJNDXNI-MRXNPFEDSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)cc(C)c1F ZINC000540183485 324890712 /nfs/dbraw/zinc/89/07/12/324890712.db2.gz IAEBXIVSLDCBSO-GFCCVEGCSA-N 1 0 235.346 3.893 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CC2)cc(C)c1F ZINC000540183500 324890580 /nfs/dbraw/zinc/89/05/80/324890580.db2.gz IAEBXIVSLDCBSO-LBPRGKRZSA-N 1 0 235.346 3.893 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000540183591 388798436 /nfs/dbraw/zinc/79/84/36/388798436.db2.gz JEBMEUMDOZKOND-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000540183594 324890470 /nfs/dbraw/zinc/89/04/70/324890470.db2.gz JEBMEUMDOZKOND-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000540183596 388797951 /nfs/dbraw/zinc/79/79/51/388797951.db2.gz JEBMEUMDOZKOND-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000540183598 324890281 /nfs/dbraw/zinc/89/02/81/324890281.db2.gz JEBMEUMDOZKOND-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(C)CC1 ZINC000540183713 324890327 /nfs/dbraw/zinc/89/03/27/324890327.db2.gz SPYJXNBGUJDQAM-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(C)CC1 ZINC000540183716 388797718 /nfs/dbraw/zinc/79/77/18/388797718.db2.gz SPYJXNBGUJDQAM-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccn1 ZINC000540183911 388797991 /nfs/dbraw/zinc/79/79/91/388797991.db2.gz VKHKMQJSZMOJIC-DZGCQCFKSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccn1 ZINC000540183915 324890707 /nfs/dbraw/zinc/89/07/07/324890707.db2.gz VKHKMQJSZMOJIC-HIFRSBDPSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccccn1 ZINC000540183917 388798640 /nfs/dbraw/zinc/79/86/40/388798640.db2.gz VKHKMQJSZMOJIC-UKRRQHHQSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccn1 ZINC000540183920 388797938 /nfs/dbraw/zinc/79/79/38/388797938.db2.gz VKHKMQJSZMOJIC-ZFWWWQNUSA-N 1 0 246.398 3.805 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cccs2)cc1 ZINC000540184495 324890503 /nfs/dbraw/zinc/89/05/03/324890503.db2.gz PHFRKGOACAQYJA-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cccs2)cc1 ZINC000540184497 388798133 /nfs/dbraw/zinc/79/81/33/388798133.db2.gz PHFRKGOACAQYJA-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO CC1CC([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000540185238 388798743 /nfs/dbraw/zinc/79/87/43/388798743.db2.gz HHTUCPKHJACXLA-MOQPWLNLSA-N 1 0 229.367 3.916 20 0 BHADRO CC1CC([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000540185239 324891154 /nfs/dbraw/zinc/89/11/54/324891154.db2.gz HHTUCPKHJACXLA-VDSRIPIWSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]CC1(C)CC1 ZINC000540185392 388797646 /nfs/dbraw/zinc/79/76/46/388797646.db2.gz LPDJYGNBAGLFED-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]CC1(C)CC1 ZINC000540185393 324891187 /nfs/dbraw/zinc/89/11/87/324891187.db2.gz LPDJYGNBAGLFED-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000540188983 324891195 /nfs/dbraw/zinc/89/11/95/324891195.db2.gz OFQFNWUYNPUETG-DNCHLWJUSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000540188984 388797637 /nfs/dbraw/zinc/79/76/37/388797637.db2.gz OFQFNWUYNPUETG-FMPXUHTOSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000540188985 324891021 /nfs/dbraw/zinc/89/10/21/324891021.db2.gz OFQFNWUYNPUETG-ICRTXTNUSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000540188986 388798565 /nfs/dbraw/zinc/79/85/65/388798565.db2.gz OFQFNWUYNPUETG-SBEAFCBVSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000540189570 388798086 /nfs/dbraw/zinc/79/80/86/388798086.db2.gz DSWDGRJDEAEGJC-BJJXKVORSA-N 1 0 247.382 3.782 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000540189573 388797556 /nfs/dbraw/zinc/79/75/56/388797556.db2.gz DSWDGRJDEAEGJC-INWMFGNUSA-N 1 0 247.382 3.782 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000540189576 324891018 /nfs/dbraw/zinc/89/10/18/324891018.db2.gz DSWDGRJDEAEGJC-NOLJZWGESA-N 1 0 247.382 3.782 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000540189578 388798127 /nfs/dbraw/zinc/79/81/27/388798127.db2.gz DSWDGRJDEAEGJC-XPKDYRNWSA-N 1 0 247.382 3.782 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540201692 388800476 /nfs/dbraw/zinc/80/04/76/388800476.db2.gz ATVNPKKZTFPYDR-HUBLWGQQSA-N 1 0 247.382 3.575 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540201694 388799435 /nfs/dbraw/zinc/79/94/35/388799435.db2.gz ATVNPKKZTFPYDR-SLEUVZQESA-N 1 0 247.382 3.575 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540201696 388799390 /nfs/dbraw/zinc/79/93/90/388799390.db2.gz ATVNPKKZTFPYDR-TYNCELHUSA-N 1 0 247.382 3.575 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@H]1Oc2ccccc2[C@H]1C ZINC000540201697 388799272 /nfs/dbraw/zinc/79/92/72/388799272.db2.gz ATVNPKKZTFPYDR-XUJVJEKNSA-N 1 0 247.382 3.575 20 0 BHADRO Fc1ccccc1[C@@H]([NH2+]C1CC1)C1CCCC1 ZINC000540260617 388802526 /nfs/dbraw/zinc/80/25/26/388802526.db2.gz LGGGXZZHEWCVRQ-HNNXBMFYSA-N 1 0 233.330 3.809 20 0 BHADRO Fc1ccccc1[C@H]([NH2+]C1CC1)C1CCCC1 ZINC000540260618 324894091 /nfs/dbraw/zinc/89/40/91/324894091.db2.gz LGGGXZZHEWCVRQ-OAHLLOKOSA-N 1 0 233.330 3.809 20 0 BHADRO Fc1ccc([C@@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000540260650 388801391 /nfs/dbraw/zinc/80/13/91/388801391.db2.gz LYZUZMNNSIKXPS-HNNXBMFYSA-N 1 0 233.330 3.809 20 0 BHADRO Fc1ccc([C@H]([NH2+]C2CC2)C2CCCC2)cc1 ZINC000540260651 324894072 /nfs/dbraw/zinc/89/40/72/324894072.db2.gz LYZUZMNNSIKXPS-OAHLLOKOSA-N 1 0 233.330 3.809 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000540313538 388802160 /nfs/dbraw/zinc/80/21/60/388802160.db2.gz SAISDOKGIARERW-NEPJUHHUSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000540313540 388802506 /nfs/dbraw/zinc/80/25/06/388802506.db2.gz SAISDOKGIARERW-NWDGAFQWSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000540313541 388801283 /nfs/dbraw/zinc/80/12/83/388801283.db2.gz SAISDOKGIARERW-RYUDHWBXSA-N 1 0 244.338 3.649 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000540313543 388802132 /nfs/dbraw/zinc/80/21/32/388802132.db2.gz SAISDOKGIARERW-VXGBXAGGSA-N 1 0 244.338 3.649 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H](C)c1ccccc1 ZINC000540315461 388801737 /nfs/dbraw/zinc/80/17/37/388801737.db2.gz IERGCJPLDOMONY-CYBMUJFWSA-N 1 0 245.391 3.950 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H](C)c1ccccc1 ZINC000540315462 388802474 /nfs/dbraw/zinc/80/24/74/388802474.db2.gz IERGCJPLDOMONY-ZDUSSCGKSA-N 1 0 245.391 3.950 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000540315713 388801814 /nfs/dbraw/zinc/80/18/14/388801814.db2.gz JOVXAQQODAFZMU-AGIUHOORSA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000540315716 388801832 /nfs/dbraw/zinc/80/18/32/388801832.db2.gz JOVXAQQODAFZMU-AVGNSLFASA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000540315717 388802488 /nfs/dbraw/zinc/80/24/88/388802488.db2.gz JOVXAQQODAFZMU-UPJWGTAASA-N 1 0 234.387 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000540315718 388802089 /nfs/dbraw/zinc/80/20/89/388802089.db2.gz JOVXAQQODAFZMU-XQQFMLRXSA-N 1 0 234.387 3.729 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000540316028 324895333 /nfs/dbraw/zinc/89/53/33/324895333.db2.gz PCFKFGYPZSDOHL-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000540316033 388802299 /nfs/dbraw/zinc/80/22/99/388802299.db2.gz PCFKFGYPZSDOHL-RWMBFGLXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000540316035 388801461 /nfs/dbraw/zinc/80/14/61/388801461.db2.gz PCFKFGYPZSDOHL-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000540316037 324895657 /nfs/dbraw/zinc/89/56/57/324895657.db2.gz PCFKFGYPZSDOHL-YNEHKIRRSA-N 1 0 243.341 3.733 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000540317372 324895415 /nfs/dbraw/zinc/89/54/15/324895415.db2.gz OFWTYFSANVZCPS-GFCCVEGCSA-N 1 0 232.371 3.627 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C1CCCCC1 ZINC000540317373 388802355 /nfs/dbraw/zinc/80/23/55/388802355.db2.gz OFWTYFSANVZCPS-LBPRGKRZSA-N 1 0 232.371 3.627 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000540317761 323083883 /nfs/dbraw/zinc/08/38/83/323083883.db2.gz FIOCUOAGCWWOPR-CHWSQXEVSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000540317762 323083886 /nfs/dbraw/zinc/08/38/86/323083886.db2.gz FIOCUOAGCWWOPR-OLZOCXBDSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000540317763 323083880 /nfs/dbraw/zinc/08/38/80/323083880.db2.gz FIOCUOAGCWWOPR-QWHCGFSZSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000540317764 323083884 /nfs/dbraw/zinc/08/38/84/323083884.db2.gz FIOCUOAGCWWOPR-STQMWFEESA-N 1 0 243.341 3.733 20 0 BHADRO COc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]2C)C(C)C)cc1 ZINC000540320858 324895767 /nfs/dbraw/zinc/89/57/67/324895767.db2.gz OKKYZPSLZCLHKK-DUVNUKRYSA-N 1 0 247.382 3.638 20 0 BHADRO COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C)C(C)C)cc1 ZINC000540320859 324895760 /nfs/dbraw/zinc/89/57/60/324895760.db2.gz OKKYZPSLZCLHKK-IVMMDQJWSA-N 1 0 247.382 3.638 20 0 BHADRO COc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]2C)C(C)C)cc1 ZINC000540320860 324895528 /nfs/dbraw/zinc/89/55/28/324895528.db2.gz OKKYZPSLZCLHKK-JGGQBBKZSA-N 1 0 247.382 3.638 20 0 BHADRO COc1ccc([C@H]([NH2+]C[C@H]2C[C@H]2C)C(C)C)cc1 ZINC000540320861 388801383 /nfs/dbraw/zinc/80/13/83/388801383.db2.gz OKKYZPSLZCLHKK-XNRPHZJLSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000540326458 324895769 /nfs/dbraw/zinc/89/57/69/324895769.db2.gz XDXYEKMFZHKFPK-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)Oc1cccc([C@H](C)[NH2+]CCC2CC2)c1 ZINC000540326460 324895488 /nfs/dbraw/zinc/89/54/88/324895488.db2.gz XDXYEKMFZHKFPK-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)cc1 ZINC000540327786 324896619 /nfs/dbraw/zinc/89/66/19/324896619.db2.gz FWYVOOQHCUHNNR-GHMZBOCLSA-N 1 0 245.288 3.844 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)cc1 ZINC000540327791 388804179 /nfs/dbraw/zinc/80/41/79/388804179.db2.gz FWYVOOQHCUHNNR-MNOVXSKESA-N 1 0 245.288 3.844 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)cc1 ZINC000540327793 388804211 /nfs/dbraw/zinc/80/42/11/388804211.db2.gz FWYVOOQHCUHNNR-QWRGUYRKSA-N 1 0 245.288 3.844 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)cc1 ZINC000540327797 324896581 /nfs/dbraw/zinc/89/65/81/324896581.db2.gz FWYVOOQHCUHNNR-WDEREUQCSA-N 1 0 245.288 3.844 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)C(C)(C)c1ccccc1 ZINC000540355199 324897152 /nfs/dbraw/zinc/89/71/52/324897152.db2.gz ZSPWLFHDVXFSCF-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)C(C)(C)c1ccccc1 ZINC000540355200 388803763 /nfs/dbraw/zinc/80/37/63/388803763.db2.gz ZSPWLFHDVXFSCF-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1c2ccccc2oc1[C@@H]([NH2+]CCF)C(C)C ZINC000540359876 388803093 /nfs/dbraw/zinc/80/30/93/388803093.db2.gz WROUEINLXCEZEQ-AWEZNQCLSA-N 1 0 249.329 3.997 20 0 BHADRO Cc1c2ccccc2oc1[C@H]([NH2+]CCF)C(C)C ZINC000540359877 324897161 /nfs/dbraw/zinc/89/71/61/324897161.db2.gz WROUEINLXCEZEQ-CQSZACIVSA-N 1 0 249.329 3.997 20 0 BHADRO CCCCOCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000540390373 324898102 /nfs/dbraw/zinc/89/81/02/324898102.db2.gz PKVGWELRAAGHGN-UHFFFAOYSA-N 1 0 249.398 3.636 20 0 BHADRO CC(C)(C)CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000540415970 324898941 /nfs/dbraw/zinc/89/89/41/324898941.db2.gz SGVBIGXSMIQLJO-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CC(C)(C)C[NH+](Cc1cccnc1)CC(C)(C)C ZINC000540419024 324898760 /nfs/dbraw/zinc/89/87/60/324898760.db2.gz FXAUWZVFNVUJHC-UHFFFAOYSA-N 1 0 248.414 3.976 20 0 BHADRO CC(C)(C)C[NH+](Cc1ccncc1)CC(C)(C)C ZINC000540421928 388806350 /nfs/dbraw/zinc/80/63/50/388806350.db2.gz UVSHOJNEWSHCDE-UHFFFAOYSA-N 1 0 248.414 3.976 20 0 BHADRO CCOCC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000540435946 388806645 /nfs/dbraw/zinc/80/66/45/388806645.db2.gz XMXCCOVLJARLQB-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000540435948 324899997 /nfs/dbraw/zinc/89/99/97/324899997.db2.gz XMXCCOVLJARLQB-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO CC(C)([NH2+]CCC1CC1)c1ccc(F)c(F)c1 ZINC000540437025 324900351 /nfs/dbraw/zinc/90/03/51/324900351.db2.gz QOCXNXIIMQTNJJ-UHFFFAOYSA-N 1 0 239.309 3.590 20 0 BHADRO COCCC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000540456915 324900908 /nfs/dbraw/zinc/90/09/08/324900908.db2.gz QOXJBBZKZOHTII-HNNXBMFYSA-N 1 0 249.398 3.708 20 0 BHADRO COCCC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000540456916 324901059 /nfs/dbraw/zinc/90/10/59/324901059.db2.gz QOXJBBZKZOHTII-OAHLLOKOSA-N 1 0 249.398 3.708 20 0 BHADRO C[C@@H](CCc1ccccc1)C[N@H+](C)CC1CC1 ZINC000540465281 388805934 /nfs/dbraw/zinc/80/59/34/388805934.db2.gz LVIVLSUEWMZTNI-AWEZNQCLSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@H](CCc1ccccc1)C[N@H+](C)CC1CC1 ZINC000540465285 388805465 /nfs/dbraw/zinc/80/54/65/388805465.db2.gz LVIVLSUEWMZTNI-CQSZACIVSA-N 1 0 231.383 3.597 20 0 BHADRO CCCCOC1CC[NH+](C[C@@H](C)CCC)CC1 ZINC000540481341 324901679 /nfs/dbraw/zinc/90/16/79/324901679.db2.gz ZOTVFMNUNMCLAC-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOC1CC[NH+](C[C@H](C)CCC)CC1 ZINC000540481343 324901977 /nfs/dbraw/zinc/90/19/77/324901977.db2.gz ZOTVFMNUNMCLAC-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@H](C)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000540481606 388808964 /nfs/dbraw/zinc/80/89/64/388808964.db2.gz XTQSMIMYRDQSPP-JTQLQIEISA-N 1 0 235.293 3.617 20 0 BHADRO CCC[C@@H](C)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000540481607 388807629 /nfs/dbraw/zinc/80/76/29/388807629.db2.gz XTQSMIMYRDQSPP-SNVBAGLBSA-N 1 0 235.293 3.617 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)CCc1cccs1 ZINC000540481816 388808449 /nfs/dbraw/zinc/80/84/49/388808449.db2.gz MNGSPEPADGGEKW-GFCCVEGCSA-N 1 0 225.401 3.659 20 0 BHADRO CCC[C@H](C)C[N@H+](C)CCc1cccs1 ZINC000540481817 388805948 /nfs/dbraw/zinc/80/59/48/388805948.db2.gz MNGSPEPADGGEKW-LBPRGKRZSA-N 1 0 225.401 3.659 20 0 BHADRO CC(C)COc1cccc(C[N@@H+]2CCC2(C)C)c1 ZINC000540481942 388808166 /nfs/dbraw/zinc/80/81/66/388808166.db2.gz RZWYKQDKDMEXRR-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000540483777 388808390 /nfs/dbraw/zinc/80/83/90/388808390.db2.gz UZJLXWHBGIVQDV-KBPBESRZSA-N 1 0 249.398 3.691 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000540483778 388808215 /nfs/dbraw/zinc/80/82/15/388808215.db2.gz UZJLXWHBGIVQDV-KGLIPLIRSA-N 1 0 249.398 3.691 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000540483779 388809059 /nfs/dbraw/zinc/80/90/59/388809059.db2.gz UZJLXWHBGIVQDV-UONOGXRCSA-N 1 0 249.398 3.691 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000540483780 388807526 /nfs/dbraw/zinc/80/75/26/388807526.db2.gz UZJLXWHBGIVQDV-ZIAGYGMSSA-N 1 0 249.398 3.691 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CCCF)C2CCCC2)o1 ZINC000540495782 324902141 /nfs/dbraw/zinc/90/21/41/324902141.db2.gz SFJPXVVRJOZAOA-AWEZNQCLSA-N 1 0 239.334 3.769 20 0 BHADRO Cc1ccc([C@H]([NH2+]CCCF)C2CCCC2)o1 ZINC000540495783 324902007 /nfs/dbraw/zinc/90/20/07/324902007.db2.gz SFJPXVVRJOZAOA-CQSZACIVSA-N 1 0 239.334 3.769 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]1C(C)C ZINC000540499798 388808115 /nfs/dbraw/zinc/80/81/15/388808115.db2.gz OCQHDLHSAATARH-HNNXBMFYSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]1C(C)C ZINC000540499800 388807777 /nfs/dbraw/zinc/80/77/77/388807777.db2.gz OCQHDLHSAATARH-OAHLLOKOSA-N 1 0 247.382 3.704 20 0 BHADRO Cc1cccc(C[N@H+]2CC[C@H]2C(C)C)c1C ZINC000540500536 388808517 /nfs/dbraw/zinc/80/85/17/388808517.db2.gz HYUWGCHRCYHDSK-HNNXBMFYSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C[N@H+]2CC[C@@H]2C(C)C)c1C ZINC000540500538 388807653 /nfs/dbraw/zinc/80/76/53/388807653.db2.gz HYUWGCHRCYHDSK-OAHLLOKOSA-N 1 0 217.356 3.534 20 0 BHADRO CCC[N@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000540502676 388809086 /nfs/dbraw/zinc/80/90/86/388809086.db2.gz RBLUTLQZRKJSFN-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@@H]2C(C)C)c(C)s1 ZINC000540502914 388808735 /nfs/dbraw/zinc/80/87/35/388808735.db2.gz SUWFILIDXOMYNJ-CYBMUJFWSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@H]2C(C)C)c(C)s1 ZINC000540502917 388807467 /nfs/dbraw/zinc/80/74/67/388807467.db2.gz SUWFILIDXOMYNJ-ZDUSSCGKSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1cccc(Cl)c1 ZINC000540503258 388808225 /nfs/dbraw/zinc/80/82/25/388808225.db2.gz BQIBKNTVADZBSB-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000540503430 388808500 /nfs/dbraw/zinc/80/85/00/388808500.db2.gz HOSZPVNLYLLSGZ-CYBMUJFWSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000540503431 388808148 /nfs/dbraw/zinc/80/81/48/388808148.db2.gz HOSZPVNLYLLSGZ-ZDUSSCGKSA-N 1 0 247.382 3.531 20 0 BHADRO CCC[C@@H](C)C[NH+](CC1CC1)CC1CC1 ZINC000540503626 324902815 /nfs/dbraw/zinc/90/28/15/324902815.db2.gz LRMDNUSVFRYUPJ-GFCCVEGCSA-N 1 0 209.377 3.545 20 0 BHADRO CCC[C@H](C)C[NH+](CC1CC1)CC1CC1 ZINC000540503627 388808850 /nfs/dbraw/zinc/80/88/50/388808850.db2.gz LRMDNUSVFRYUPJ-LBPRGKRZSA-N 1 0 209.377 3.545 20 0 BHADRO CC[C@@H](C)[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000540504926 388808586 /nfs/dbraw/zinc/80/85/86/388808586.db2.gz LEQGPOKXEQGHFW-DNOWBOINSA-N 1 0 247.382 3.807 20 0 BHADRO CC[C@H](C)[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000540504927 388808775 /nfs/dbraw/zinc/80/87/75/388808775.db2.gz LEQGPOKXEQGHFW-OPFPJEHXSA-N 1 0 247.382 3.807 20 0 BHADRO CC(C)COc1cccc(C[N@H+](C)C2CCC2)c1 ZINC000540505545 388808106 /nfs/dbraw/zinc/80/81/06/388808106.db2.gz IEAHEGGXURSROI-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCC[C@H](C)C[N@H+](Cc1ccccn1)C(C)C ZINC000540506473 388808085 /nfs/dbraw/zinc/80/80/85/388808085.db2.gz JRSWTCTUTFOFGQ-AWEZNQCLSA-N 1 0 234.387 3.728 20 0 BHADRO CCC[C@@H](C)C[N@H+](Cc1ccccn1)C(C)C ZINC000540506474 388807587 /nfs/dbraw/zinc/80/75/87/388807587.db2.gz JRSWTCTUTFOFGQ-CQSZACIVSA-N 1 0 234.387 3.728 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)C(C1CC1)C1CC1 ZINC000540506824 388808509 /nfs/dbraw/zinc/80/85/09/388808509.db2.gz UPJGKVOXFSYNLW-LLVKDONJSA-N 1 0 209.377 3.543 20 0 BHADRO CCC[C@H](C)C[N@H+](C)C(C1CC1)C1CC1 ZINC000540506825 388808309 /nfs/dbraw/zinc/80/83/09/388808309.db2.gz UPJGKVOXFSYNLW-NSHDSACASA-N 1 0 209.377 3.543 20 0 BHADRO CCC[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000540506842 324902527 /nfs/dbraw/zinc/90/25/27/324902527.db2.gz WIMRRAQHGAVWCI-HNNXBMFYSA-N 1 0 217.356 3.666 20 0 BHADRO CCC[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000540506843 388807322 /nfs/dbraw/zinc/80/73/22/388807322.db2.gz WIMRRAQHGAVWCI-OAHLLOKOSA-N 1 0 217.356 3.666 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000540506906 388807596 /nfs/dbraw/zinc/80/75/96/388807596.db2.gz AYCGTDMDRNXWFE-DZGCQCFKSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000540506907 388808197 /nfs/dbraw/zinc/80/81/97/388808197.db2.gz AYCGTDMDRNXWFE-HIFRSBDPSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000540506908 388808235 /nfs/dbraw/zinc/80/82/35/388808235.db2.gz AYCGTDMDRNXWFE-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000540506909 388807374 /nfs/dbraw/zinc/80/73/74/388807374.db2.gz AYCGTDMDRNXWFE-ZFWWWQNUSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[N@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000540507022 388808365 /nfs/dbraw/zinc/80/83/65/388808365.db2.gz JMZCFXZXSYFRDT-AWEZNQCLSA-N 1 0 219.372 3.597 20 0 BHADRO CCC[N@H+](C)C[C@H](C)CCc1ccccc1 ZINC000540507023 388809099 /nfs/dbraw/zinc/80/90/99/388809099.db2.gz JMZCFXZXSYFRDT-CQSZACIVSA-N 1 0 219.372 3.597 20 0 BHADRO COc1ccc([C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000540507459 388808375 /nfs/dbraw/zinc/80/83/75/388808375.db2.gz VYGCIFMYNNLDIQ-AWEZNQCLSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000540507460 324903103 /nfs/dbraw/zinc/90/31/03/324903103.db2.gz VYGCIFMYNNLDIQ-CQSZACIVSA-N 1 0 247.382 3.531 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000540507864 388808139 /nfs/dbraw/zinc/80/81/39/388808139.db2.gz QOKRBNKJFGPNBX-LLVKDONJSA-N 1 0 223.385 3.542 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000540507866 388807964 /nfs/dbraw/zinc/80/79/64/388807964.db2.gz QOKRBNKJFGPNBX-NSHDSACASA-N 1 0 223.385 3.542 20 0 BHADRO CC[NH+](CC)C[C@@H](C)CCc1ccccc1 ZINC000540508130 324902800 /nfs/dbraw/zinc/90/28/00/324902800.db2.gz UNQSUTJMQMHDTI-AWEZNQCLSA-N 1 0 219.372 3.597 20 0 BHADRO CC[NH+](CC)C[C@H](C)CCc1ccccc1 ZINC000540508131 388808154 /nfs/dbraw/zinc/80/81/54/388808154.db2.gz UNQSUTJMQMHDTI-CQSZACIVSA-N 1 0 219.372 3.597 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000540510771 324902835 /nfs/dbraw/zinc/90/28/35/324902835.db2.gz HLVQDZJBWAZUBP-CVEARBPZSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000540510772 388808873 /nfs/dbraw/zinc/80/88/73/388808873.db2.gz HLVQDZJBWAZUBP-HOTGVXAUSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(CC)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000540510773 388808534 /nfs/dbraw/zinc/80/85/34/388808534.db2.gz HLVQDZJBWAZUBP-HZPDHXFCSA-N 1 0 231.383 3.816 20 0 BHADRO CCC(CC)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000540510774 388808541 /nfs/dbraw/zinc/80/85/41/388808541.db2.gz HLVQDZJBWAZUBP-JKSUJKDBSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc2ccccc2o1)C(C)(C)C ZINC000540590605 388811584 /nfs/dbraw/zinc/81/15/84/388811584.db2.gz KLUQIDGFPBDWJD-CYBMUJFWSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H]([NH2+]Cc1nc2ccccc2o1)C(C)(C)C ZINC000540590607 324906996 /nfs/dbraw/zinc/90/69/96/324906996.db2.gz KLUQIDGFPBDWJD-ZDUSSCGKSA-N 1 0 246.354 3.742 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000540592040 324906853 /nfs/dbraw/zinc/90/68/53/324906853.db2.gz RBEBOIYGQXUCFG-CYBMUJFWSA-N 1 0 247.382 3.710 20 0 BHADRO CCC[C@H](C)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000540592041 324907362 /nfs/dbraw/zinc/90/73/62/324907362.db2.gz RBEBOIYGQXUCFG-ZDUSSCGKSA-N 1 0 247.382 3.710 20 0 BHADRO Cc1ccc(C[NH2+]C(C)C)c(OC(C)(C)C)c1 ZINC000540594617 324907473 /nfs/dbraw/zinc/90/74/73/324907473.db2.gz BZGSRJSQWVZMDQ-UHFFFAOYSA-N 1 0 235.371 3.670 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000540608732 324907875 /nfs/dbraw/zinc/90/78/75/324907875.db2.gz USNZRNLUJIYQRZ-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000540608733 388811467 /nfs/dbraw/zinc/81/14/67/388811467.db2.gz USNZRNLUJIYQRZ-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000540608734 388811688 /nfs/dbraw/zinc/81/16/88/388811688.db2.gz USNZRNLUJIYQRZ-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000540608736 324908269 /nfs/dbraw/zinc/90/82/69/324908269.db2.gz USNZRNLUJIYQRZ-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1(C2CC2)CC1 ZINC000540611180 324907966 /nfs/dbraw/zinc/90/79/66/324907966.db2.gz CZGHDKMUGJWKMD-UHFFFAOYSA-N 1 0 241.334 3.773 20 0 BHADRO CC(C)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000540612400 388811722 /nfs/dbraw/zinc/81/17/22/388811722.db2.gz VAHBYSWHYMFAJQ-CVEARBPZSA-N 1 0 243.394 3.816 20 0 BHADRO CC(C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000540612405 388811456 /nfs/dbraw/zinc/81/14/56/388811456.db2.gz VAHBYSWHYMFAJQ-HOTGVXAUSA-N 1 0 243.394 3.816 20 0 BHADRO CC(C)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000540612407 388811579 /nfs/dbraw/zinc/81/15/79/388811579.db2.gz VAHBYSWHYMFAJQ-HZPDHXFCSA-N 1 0 243.394 3.816 20 0 BHADRO CC(C)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000540612410 388810994 /nfs/dbraw/zinc/81/09/94/388810994.db2.gz VAHBYSWHYMFAJQ-JKSUJKDBSA-N 1 0 243.394 3.816 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]CC1(C)CC1 ZINC000540612713 388811968 /nfs/dbraw/zinc/81/19/68/388811968.db2.gz PFVCBVWFFLIOTL-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]CC1(C)CC1 ZINC000540612717 324908257 /nfs/dbraw/zinc/90/82/57/324908257.db2.gz PFVCBVWFFLIOTL-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]CCCC2CC2)cc1 ZINC000540617859 324908826 /nfs/dbraw/zinc/90/88/26/324908826.db2.gz JEPWCBWBXSTTKG-CVEARBPZSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]CCCC2CC2)cc1 ZINC000540617861 324908978 /nfs/dbraw/zinc/90/89/78/324908978.db2.gz JEPWCBWBXSTTKG-HZPDHXFCSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]CCCC2CC2)cc1 ZINC000540617862 388811610 /nfs/dbraw/zinc/81/16/10/388811610.db2.gz JEPWCBWBXSTTKG-JKSUJKDBSA-N 1 0 229.367 3.570 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000540621422 388811816 /nfs/dbraw/zinc/81/18/16/388811816.db2.gz GOYGBZMFXDWIOH-BPUTZDHNSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000540621423 388811824 /nfs/dbraw/zinc/81/18/24/388811824.db2.gz GOYGBZMFXDWIOH-CWRNSKLLSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000540621424 324909171 /nfs/dbraw/zinc/90/91/71/324909171.db2.gz GOYGBZMFXDWIOH-IMJJTQAJSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000540621425 388811679 /nfs/dbraw/zinc/81/16/79/388811679.db2.gz GOYGBZMFXDWIOH-NUEKZKHPSA-N 1 0 231.383 3.814 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccncc1CC ZINC000540651315 388813792 /nfs/dbraw/zinc/81/37/92/388813792.db2.gz VFFYLEIYZFJEGS-CHWSQXEVSA-N 1 0 234.387 3.731 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccncc1CC ZINC000540651316 324910783 /nfs/dbraw/zinc/91/07/83/324910783.db2.gz VFFYLEIYZFJEGS-OLZOCXBDSA-N 1 0 234.387 3.731 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1ccncc1CC ZINC000540651317 388813107 /nfs/dbraw/zinc/81/31/07/388813107.db2.gz VFFYLEIYZFJEGS-QWHCGFSZSA-N 1 0 234.387 3.731 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccncc1CC ZINC000540651318 324911647 /nfs/dbraw/zinc/91/16/47/324911647.db2.gz VFFYLEIYZFJEGS-STQMWFEESA-N 1 0 234.387 3.731 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccoc1 ZINC000540722945 388815137 /nfs/dbraw/zinc/81/51/37/388815137.db2.gz DEWWNBGLTIHZKZ-GFCCVEGCSA-N 1 0 227.307 3.620 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccoc1 ZINC000540722946 388815333 /nfs/dbraw/zinc/81/53/33/388815333.db2.gz DEWWNBGLTIHZKZ-LBPRGKRZSA-N 1 0 227.307 3.620 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000540724143 388814588 /nfs/dbraw/zinc/81/45/88/388814588.db2.gz VGAWJESPLOJZND-DZGCQCFKSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000540724144 388815174 /nfs/dbraw/zinc/81/51/74/388815174.db2.gz VGAWJESPLOJZND-HIFRSBDPSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000540724145 324914780 /nfs/dbraw/zinc/91/47/80/324914780.db2.gz VGAWJESPLOJZND-UKRRQHHQSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000540724146 388815016 /nfs/dbraw/zinc/81/50/16/388815016.db2.gz VGAWJESPLOJZND-ZFWWWQNUSA-N 1 0 229.367 3.844 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)C(C)(C)C)c1 ZINC000540745222 324916095 /nfs/dbraw/zinc/91/60/95/324916095.db2.gz MEZPAMCFFDIAHH-CYBMUJFWSA-N 1 0 248.414 3.903 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)C(C)(C)C)c1 ZINC000540745223 324916013 /nfs/dbraw/zinc/91/60/13/324916013.db2.gz MEZPAMCFFDIAHH-ZDUSSCGKSA-N 1 0 248.414 3.903 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(C2CC2)CC1 ZINC000540751779 398127686 /nfs/dbraw/zinc/12/76/86/398127686.db2.gz LWJGWCCVIMMDLG-LLVKDONJSA-N 1 0 249.785 3.803 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(C2CC2)CC1 ZINC000540751781 388816329 /nfs/dbraw/zinc/81/63/29/388816329.db2.gz LWJGWCCVIMMDLG-NSHDSACASA-N 1 0 249.785 3.803 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000540752447 324916111 /nfs/dbraw/zinc/91/61/11/324916111.db2.gz COUPAMNPUUFJAL-JTQLQIEISA-N 1 0 247.407 3.830 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000540752457 388816705 /nfs/dbraw/zinc/81/67/05/388816705.db2.gz COUPAMNPUUFJAL-SNVBAGLBSA-N 1 0 247.407 3.830 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000540752504 388817081 /nfs/dbraw/zinc/81/70/81/388817081.db2.gz WMRZVOTTWRELFB-GFCCVEGCSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000540752514 324915971 /nfs/dbraw/zinc/91/59/71/324915971.db2.gz WMRZVOTTWRELFB-LBPRGKRZSA-N 1 0 235.346 3.839 20 0 BHADRO c1ccc(CC2([NH2+]C3CCCC3)CCC2)cc1 ZINC000540752861 324916852 /nfs/dbraw/zinc/91/68/52/324916852.db2.gz IYCREDKDMVBFFU-UHFFFAOYSA-N 1 0 229.367 3.684 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000540752937 388816372 /nfs/dbraw/zinc/81/63/72/388816372.db2.gz HXKDNLQWAQOYPL-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000540752938 398127927 /nfs/dbraw/zinc/12/79/27/398127927.db2.gz HXKDNLQWAQOYPL-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000540752939 324916725 /nfs/dbraw/zinc/91/67/25/324916725.db2.gz HXKDNLQWAQOYPL-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000540752940 388816306 /nfs/dbraw/zinc/81/63/06/388816306.db2.gz HXKDNLQWAQOYPL-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000540753173 324916592 /nfs/dbraw/zinc/91/65/92/324916592.db2.gz BIIWXLZQOIBXAO-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000540753180 388817078 /nfs/dbraw/zinc/81/70/78/388817078.db2.gz BIIWXLZQOIBXAO-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000540753402 324916717 /nfs/dbraw/zinc/91/67/17/324916717.db2.gz MBJMIDGDUSCEQM-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000540753403 388816102 /nfs/dbraw/zinc/81/61/02/388816102.db2.gz MBJMIDGDUSCEQM-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(OC)cc1 ZINC000540753482 388816539 /nfs/dbraw/zinc/81/65/39/388816539.db2.gz POOUIBLACHRCQK-HNNXBMFYSA-N 1 0 245.366 3.679 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(OC)cc1 ZINC000540753484 324916815 /nfs/dbraw/zinc/91/68/15/324916815.db2.gz POOUIBLACHRCQK-OAHLLOKOSA-N 1 0 245.366 3.679 20 0 BHADRO Fc1ccc(C2([NH2+]C3CCCCC3)CC2)cc1 ZINC000540753628 324916696 /nfs/dbraw/zinc/91/66/96/324916696.db2.gz IXCWOVFFOIQMOJ-UHFFFAOYSA-N 1 0 233.330 3.737 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000540753798 324916699 /nfs/dbraw/zinc/91/66/99/324916699.db2.gz RVCCHVBCSVYCHI-CHWSQXEVSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000540753799 324916865 /nfs/dbraw/zinc/91/68/65/324916865.db2.gz RVCCHVBCSVYCHI-OLZOCXBDSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@H](C)c1ccccc1 ZINC000540753800 388817148 /nfs/dbraw/zinc/81/71/48/388817148.db2.gz RVCCHVBCSVYCHI-QWHCGFSZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000540753801 398127952 /nfs/dbraw/zinc/12/79/52/398127952.db2.gz RVCCHVBCSVYCHI-STQMWFEESA-N 1 0 229.367 3.711 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000540754201 324916766 /nfs/dbraw/zinc/91/67/66/324916766.db2.gz RNMQLLYKOOAWIE-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000540754202 388816554 /nfs/dbraw/zinc/81/65/54/388816554.db2.gz RNMQLLYKOOAWIE-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C1(C2CC2)CC1 ZINC000540754410 324916564 /nfs/dbraw/zinc/91/65/64/324916564.db2.gz ZRONMVHMCXUVLA-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C1(C2CC2)CC1 ZINC000540754411 388816921 /nfs/dbraw/zinc/81/69/21/388816921.db2.gz ZRONMVHMCXUVLA-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540754543 388817050 /nfs/dbraw/zinc/81/70/50/388817050.db2.gz SUNKTAVXMXZNJD-NEPJUHHUSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540754544 324916715 /nfs/dbraw/zinc/91/67/15/324916715.db2.gz SUNKTAVXMXZNJD-NWDGAFQWSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540754545 324916698 /nfs/dbraw/zinc/91/66/98/324916698.db2.gz SUNKTAVXMXZNJD-RYUDHWBXSA-N 1 0 235.346 3.839 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540754546 388816240 /nfs/dbraw/zinc/81/62/40/388816240.db2.gz SUNKTAVXMXZNJD-VXGBXAGGSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540754576 388816770 /nfs/dbraw/zinc/81/67/70/388816770.db2.gz VNJLJZYMZUJLNM-GDBMZVCRSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540754577 388816961 /nfs/dbraw/zinc/81/69/61/388816961.db2.gz VNJLJZYMZUJLNM-GOEBONIOSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540754578 324916749 /nfs/dbraw/zinc/91/67/49/324916749.db2.gz VNJLJZYMZUJLNM-HOCLYGCPSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540754581 388816733 /nfs/dbraw/zinc/81/67/33/388816733.db2.gz VNJLJZYMZUJLNM-ZBFHGGJFSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H]([NH2+]C1(c2ccccc2F)CC1)C1CC1 ZINC000540754669 324916825 /nfs/dbraw/zinc/91/68/25/324916825.db2.gz WVXBZUUFGJCGFV-AWEZNQCLSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]([NH2+]C1(c2ccccc2F)CC1)C1CC1 ZINC000540754670 388816576 /nfs/dbraw/zinc/81/65/76/388816576.db2.gz WVXBZUUFGJCGFV-CQSZACIVSA-N 1 0 233.330 3.593 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000540754706 388816546 /nfs/dbraw/zinc/81/65/46/388816546.db2.gz YPJRBXXVJNCKJS-GFCCVEGCSA-N 1 0 235.346 3.983 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000540754707 398127892 /nfs/dbraw/zinc/12/78/92/398127892.db2.gz YPJRBXXVJNCKJS-LBPRGKRZSA-N 1 0 235.346 3.983 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000540765702 324917518 /nfs/dbraw/zinc/91/75/18/324917518.db2.gz NSEFGRZRVYRWAW-CTASWTNQSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000540765719 388818329 /nfs/dbraw/zinc/81/83/29/388818329.db2.gz NSEFGRZRVYRWAW-IHRRRGAJSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000540765720 324917375 /nfs/dbraw/zinc/91/73/75/324917375.db2.gz NSEFGRZRVYRWAW-KNCOVGOOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000540765724 324917238 /nfs/dbraw/zinc/91/72/38/324917238.db2.gz NSEFGRZRVYRWAW-MCIONIFRSA-N 1 0 246.398 3.865 20 0 BHADRO CCC1([NH2+]C2CCC(C)(C)CC2)CCOCC1 ZINC000540809836 324919999 /nfs/dbraw/zinc/91/99/99/324919999.db2.gz SKFDEYJXUGHDCG-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[N@H+](CCC(=O)c1ccccc1)[C@@H](C)C(C)C ZINC000540822146 388820736 /nfs/dbraw/zinc/82/07/36/388820736.db2.gz RUYVTDMAPBZLQR-AWEZNQCLSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@H+](CCC(=O)c1ccccc1)[C@H](C)C(C)C ZINC000540822147 388820923 /nfs/dbraw/zinc/82/09/23/388820923.db2.gz RUYVTDMAPBZLQR-CQSZACIVSA-N 1 0 247.382 3.626 20 0 BHADRO CC[C@H](Nc1cc(C[NH+](C)C)ccc1C)C1CC1 ZINC000540839355 388820552 /nfs/dbraw/zinc/82/05/52/388820552.db2.gz WTGFYHOVEDITSW-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H](Nc1cc(C[NH+](C)C)ccc1C)C1CC1 ZINC000540839358 324921804 /nfs/dbraw/zinc/92/18/04/324921804.db2.gz WTGFYHOVEDITSW-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO CCc1ccc(C[NH2+]C/C=C/c2ccccc2)o1 ZINC000540870446 324923165 /nfs/dbraw/zinc/92/31/65/324923165.db2.gz HJMTWDIXGBMXQU-RMKNXTFCSA-N 1 0 241.334 3.645 20 0 BHADRO CCc1ccc(C[NH2+]C/C=C\c2ccccc2)o1 ZINC000540870447 324923052 /nfs/dbraw/zinc/92/30/52/324923052.db2.gz HJMTWDIXGBMXQU-TWGQIWQCSA-N 1 0 241.334 3.645 20 0 BHADRO C[C@]1([NH2+]C2CCCC2)CCCc2ccccc21 ZINC000540906445 388823659 /nfs/dbraw/zinc/82/36/59/388823659.db2.gz PFRRORSTNJPJHZ-INIZCTEOSA-N 1 0 229.367 3.770 20 0 BHADRO C[C@@]1([NH2+]C2CCCC2)CCCc2ccccc21 ZINC000540906446 324928101 /nfs/dbraw/zinc/92/81/01/324928101.db2.gz PFRRORSTNJPJHZ-MRXNPFEDSA-N 1 0 229.367 3.770 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000540918257 324930927 /nfs/dbraw/zinc/93/09/27/324930927.db2.gz GESDDELITXSXSA-BFQNTYOBSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000540918258 388826595 /nfs/dbraw/zinc/82/65/95/388826595.db2.gz GESDDELITXSXSA-HSMVNMDESA-N 1 0 229.367 3.698 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000540918259 323097383 /nfs/dbraw/zinc/09/73/83/323097383.db2.gz GESDDELITXSXSA-WQGACYEGSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000540918260 323097396 /nfs/dbraw/zinc/09/73/96/323097396.db2.gz GESDDELITXSXSA-XHBSWPGZSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)o1 ZINC000540954223 388830235 /nfs/dbraw/zinc/83/02/35/388830235.db2.gz LRZNDIIJBRLZBU-CVEARBPZSA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)o1 ZINC000540954224 388829877 /nfs/dbraw/zinc/82/98/77/388829877.db2.gz LRZNDIIJBRLZBU-HOTGVXAUSA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)o1 ZINC000540954225 388829753 /nfs/dbraw/zinc/82/97/53/388829753.db2.gz LRZNDIIJBRLZBU-HZPDHXFCSA-N 1 0 247.382 3.689 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)o1 ZINC000540954226 324935595 /nfs/dbraw/zinc/93/55/95/324935595.db2.gz LRZNDIIJBRLZBU-JKSUJKDBSA-N 1 0 247.382 3.689 20 0 BHADRO CC(C)c1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000540961948 388831908 /nfs/dbraw/zinc/83/19/08/388831908.db2.gz PRCLUUDICQAAQM-UHFFFAOYSA-N 1 0 249.423 3.749 20 0 BHADRO CCC[N@H+](C[C@@H](C)OC)[C@H](CC)c1ccccc1 ZINC000541066763 388838101 /nfs/dbraw/zinc/83/81/01/388838101.db2.gz LEAZAKUHDQMRCH-GDBMZVCRSA-N 1 0 249.398 3.885 20 0 BHADRO CCC[N@H+](C[C@H](C)OC)[C@H](CC)c1ccccc1 ZINC000541066764 388838497 /nfs/dbraw/zinc/83/84/97/388838497.db2.gz LEAZAKUHDQMRCH-GOEBONIOSA-N 1 0 249.398 3.885 20 0 BHADRO CCC[N@H+](C[C@H](C)OC)[C@@H](CC)c1ccccc1 ZINC000541066765 388837641 /nfs/dbraw/zinc/83/76/41/388837641.db2.gz LEAZAKUHDQMRCH-HOCLYGCPSA-N 1 0 249.398 3.885 20 0 BHADRO CCC[N@H+](C[C@@H](C)OC)[C@@H](CC)c1ccccc1 ZINC000541066766 388838537 /nfs/dbraw/zinc/83/85/37/388838537.db2.gz LEAZAKUHDQMRCH-ZBFHGGJFSA-N 1 0 249.398 3.885 20 0 BHADRO CCC(CC)(CC)C[N@@H+]1CCC[C@H](COC)C1 ZINC000541090664 388839435 /nfs/dbraw/zinc/83/94/35/388839435.db2.gz UEOMTJUDPKXJIB-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)(CC)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000541090685 388839701 /nfs/dbraw/zinc/83/97/01/388839701.db2.gz UEOMTJUDPKXJIB-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000541160812 388843239 /nfs/dbraw/zinc/84/32/39/388843239.db2.gz COZWFSSMDBUJJJ-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000541160826 388843079 /nfs/dbraw/zinc/84/30/79/388843079.db2.gz COZWFSSMDBUJJJ-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCc1ccsc1 ZINC000541161599 388842973 /nfs/dbraw/zinc/84/29/73/388842973.db2.gz OUMQPOXRVJVFIS-GFCCVEGCSA-N 1 0 225.401 3.801 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCc1ccsc1 ZINC000541161603 388842963 /nfs/dbraw/zinc/84/29/63/388842963.db2.gz OUMQPOXRVJVFIS-LBPRGKRZSA-N 1 0 225.401 3.801 20 0 BHADRO CCCC[N@H+](CCCc1ccsc1)C1CC1 ZINC000541161653 388843376 /nfs/dbraw/zinc/84/33/76/388843376.db2.gz QRNJNIOMMWPFQW-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO CCC[NH+](CCC)CCCc1ccsc1 ZINC000541161957 388842991 /nfs/dbraw/zinc/84/29/91/388842991.db2.gz GYXNCUATSYTMIQ-UHFFFAOYSA-N 1 0 225.401 3.803 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000541162271 388843088 /nfs/dbraw/zinc/84/30/88/388843088.db2.gz UKWWTJHNICSAAE-AWEZNQCLSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000541162272 388843467 /nfs/dbraw/zinc/84/34/67/388843467.db2.gz UKWWTJHNICSAAE-CQSZACIVSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCc1ccsc1 ZINC000541172559 388842788 /nfs/dbraw/zinc/84/27/88/388842788.db2.gz DRCROCVIXCUERB-GXTWGEPZSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCc1ccsc1 ZINC000541172560 388842299 /nfs/dbraw/zinc/84/22/99/388842299.db2.gz DRCROCVIXCUERB-JSGCOSHPSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCc1ccsc1 ZINC000541172562 388843026 /nfs/dbraw/zinc/84/30/26/388843026.db2.gz DRCROCVIXCUERB-OCCSQVGLSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCc1ccsc1 ZINC000541172563 388843495 /nfs/dbraw/zinc/84/34/95/388843495.db2.gz DRCROCVIXCUERB-TZMCWYRMSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000541173566 388842955 /nfs/dbraw/zinc/84/29/55/388842955.db2.gz HXRYLACXVKCXAG-CYBMUJFWSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000541173570 388842700 /nfs/dbraw/zinc/84/27/00/388842700.db2.gz HXRYLACXVKCXAG-ZDUSSCGKSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@H]1C[N@H+](CCCc2ccsc2)C(C)(C)C1 ZINC000541173675 388842824 /nfs/dbraw/zinc/84/28/24/388842824.db2.gz KGGYHTMIIRVDED-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1C[N@H+](CCCc2ccsc2)C(C)(C)C1 ZINC000541173678 388843406 /nfs/dbraw/zinc/84/34/06/388843406.db2.gz KGGYHTMIIRVDED-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCc1ccsc1 ZINC000541173756 388842213 /nfs/dbraw/zinc/84/22/13/388842213.db2.gz YCNBPFVDCDBGMD-BETUJISGSA-N 1 0 237.412 3.944 20 0 BHADRO c1cc(CCC[NH+](CC2CC2)CC2CC2)cs1 ZINC000541174702 324949661 /nfs/dbraw/zinc/94/96/61/324949661.db2.gz UJRHKWDOWJEXAB-UHFFFAOYSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccccc1 ZINC000541196720 388842420 /nfs/dbraw/zinc/84/24/20/388842420.db2.gz WIFROYKJHNUXDP-CYBMUJFWSA-N 1 0 245.391 3.811 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccccc1 ZINC000541196721 388842548 /nfs/dbraw/zinc/84/25/48/388842548.db2.gz WIFROYKJHNUXDP-ZDUSSCGKSA-N 1 0 245.391 3.811 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541200173 388843276 /nfs/dbraw/zinc/84/32/76/388843276.db2.gz BOMKOPUKMHLNRJ-FRRDWIJNSA-N 1 0 237.412 3.657 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541200174 388843185 /nfs/dbraw/zinc/84/31/85/388843185.db2.gz BOMKOPUKMHLNRJ-JHJVBQTASA-N 1 0 237.412 3.657 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541200175 388842605 /nfs/dbraw/zinc/84/26/05/388842605.db2.gz BOMKOPUKMHLNRJ-UPJWGTAASA-N 1 0 237.412 3.657 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541200176 388842493 /nfs/dbraw/zinc/84/24/93/388842493.db2.gz BOMKOPUKMHLNRJ-XQQFMLRXSA-N 1 0 237.412 3.657 20 0 BHADRO CC(C)C[N@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000541200671 388843270 /nfs/dbraw/zinc/84/32/70/388843270.db2.gz TWMDWSUIILPAGP-GFCCVEGCSA-N 1 0 237.412 3.800 20 0 BHADRO CC(C)C[N@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000541200672 388843338 /nfs/dbraw/zinc/84/33/38/388843338.db2.gz TWMDWSUIILPAGP-LBPRGKRZSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H]1c2ccccc2C[N@@H+]1[C@@H]1C=CCCC1 ZINC000541203378 388844150 /nfs/dbraw/zinc/84/41/50/388844150.db2.gz VAEVDRPCVNNKQY-GXTWGEPZSA-N 1 0 213.324 3.672 20 0 BHADRO C[C@H]1c2ccccc2C[N@@H+]1[C@H]1C=CCCC1 ZINC000541203379 388845241 /nfs/dbraw/zinc/84/52/41/388845241.db2.gz VAEVDRPCVNNKQY-JSGCOSHPSA-N 1 0 213.324 3.672 20 0 BHADRO C[C@@H]1c2ccccc2C[N@@H+]1[C@H]1C=CCCC1 ZINC000541203380 388844220 /nfs/dbraw/zinc/84/42/20/388844220.db2.gz VAEVDRPCVNNKQY-OCCSQVGLSA-N 1 0 213.324 3.672 20 0 BHADRO C[C@@H]1c2ccccc2C[N@@H+]1[C@@H]1C=CCCC1 ZINC000541203381 388844141 /nfs/dbraw/zinc/84/41/41/388844141.db2.gz VAEVDRPCVNNKQY-TZMCWYRMSA-N 1 0 213.324 3.672 20 0 BHADRO C[C@H](C[N@@H+]1Cc2ccccc2[C@H]1C)C(F)(F)F ZINC000541203429 388845058 /nfs/dbraw/zinc/84/50/58/388845058.db2.gz XJJXFPDTBKKDIS-NXEZZACHSA-N 1 0 243.272 3.762 20 0 BHADRO C[C@@H](C[N@@H+]1Cc2ccccc2[C@@H]1C)C(F)(F)F ZINC000541203430 388844205 /nfs/dbraw/zinc/84/42/05/388844205.db2.gz XJJXFPDTBKKDIS-UWVGGRQHSA-N 1 0 243.272 3.762 20 0 BHADRO C[C@@H](C[N@@H+]1Cc2ccccc2[C@H]1C)C(F)(F)F ZINC000541203431 388844945 /nfs/dbraw/zinc/84/49/45/388844945.db2.gz XJJXFPDTBKKDIS-VHSXEESVSA-N 1 0 243.272 3.762 20 0 BHADRO C[C@H](C[N@@H+]1Cc2ccccc2[C@@H]1C)C(F)(F)F ZINC000541203432 388845072 /nfs/dbraw/zinc/84/50/72/388845072.db2.gz XJJXFPDTBKKDIS-ZJUUUORDSA-N 1 0 243.272 3.762 20 0 BHADRO CC(C)CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000541204294 388844304 /nfs/dbraw/zinc/84/43/04/388844304.db2.gz UGUYKTGOHONWNG-GFCCVEGCSA-N 1 0 203.329 3.609 20 0 BHADRO CC(C)CC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000541204295 388845321 /nfs/dbraw/zinc/84/53/21/388845321.db2.gz UGUYKTGOHONWNG-LBPRGKRZSA-N 1 0 203.329 3.609 20 0 BHADRO CCC1([NH2+][C@@H](C)CCC=C(C)C)CCOCC1 ZINC000541208779 388844186 /nfs/dbraw/zinc/84/41/86/388844186.db2.gz OTIZYMIVAWRWDJ-AWEZNQCLSA-N 1 0 239.403 3.670 20 0 BHADRO CCC1([NH2+][C@H](C)CCC=C(C)C)CCOCC1 ZINC000541208780 324949961 /nfs/dbraw/zinc/94/99/61/324949961.db2.gz OTIZYMIVAWRWDJ-CQSZACIVSA-N 1 0 239.403 3.670 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000541221215 388845228 /nfs/dbraw/zinc/84/52/28/388845228.db2.gz MYNLXZKXRCJWTJ-GXTWGEPZSA-N 1 0 237.412 3.800 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000541221217 388844272 /nfs/dbraw/zinc/84/42/72/388844272.db2.gz MYNLXZKXRCJWTJ-JSGCOSHPSA-N 1 0 237.412 3.800 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000541221218 388844039 /nfs/dbraw/zinc/84/40/39/388844039.db2.gz MYNLXZKXRCJWTJ-OCCSQVGLSA-N 1 0 237.412 3.800 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000541221219 388844424 /nfs/dbraw/zinc/84/44/24/388844424.db2.gz MYNLXZKXRCJWTJ-TZMCWYRMSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000541221276 388844757 /nfs/dbraw/zinc/84/47/57/388844757.db2.gz CXEIIAWZHZYYDF-BPLDGKMQSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000541221277 388843834 /nfs/dbraw/zinc/84/38/34/388843834.db2.gz CXEIIAWZHZYYDF-SNPRPXQTSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000541221278 388845191 /nfs/dbraw/zinc/84/51/91/388845191.db2.gz CXEIIAWZHZYYDF-VHDGCEQUSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000541221279 388844359 /nfs/dbraw/zinc/84/43/59/388844359.db2.gz CXEIIAWZHZYYDF-YUELXQCFSA-N 1 0 249.423 3.944 20 0 BHADRO CC(C)[N@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000541221325 388843906 /nfs/dbraw/zinc/84/39/06/388843906.db2.gz QKFHWMZGMNDRPO-LLVKDONJSA-N 1 0 223.385 3.552 20 0 BHADRO CC(C)[N@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000541221328 388844052 /nfs/dbraw/zinc/84/40/52/388844052.db2.gz QKFHWMZGMNDRPO-NSHDSACASA-N 1 0 223.385 3.552 20 0 BHADRO CC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000541221500 388844845 /nfs/dbraw/zinc/84/48/45/388844845.db2.gz QVDVSTPVHVQWEN-AAEUAGOBSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000541221501 388845145 /nfs/dbraw/zinc/84/51/45/388845145.db2.gz QVDVSTPVHVQWEN-DGCLKSJQSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000541221502 388843310 /nfs/dbraw/zinc/84/33/10/388843310.db2.gz QVDVSTPVHVQWEN-WCQYABFASA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000541221503 388843013 /nfs/dbraw/zinc/84/30/13/388843013.db2.gz QVDVSTPVHVQWEN-YPMHNXCESA-N 1 0 223.385 3.554 20 0 BHADRO CC[N@H+](CC(C)C)[C@H](C)Cc1ccsc1 ZINC000541221522 388843893 /nfs/dbraw/zinc/84/38/93/388843893.db2.gz RPMKAOJYYKIMGT-GFCCVEGCSA-N 1 0 225.401 3.657 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H](C)Cc1ccsc1 ZINC000541221531 388842638 /nfs/dbraw/zinc/84/26/38/388842638.db2.gz RPMKAOJYYKIMGT-LBPRGKRZSA-N 1 0 225.401 3.657 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000541221566 388845218 /nfs/dbraw/zinc/84/52/18/388845218.db2.gz JHYVEKQBIPUELK-DOMZBBRYSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000541221571 388844266 /nfs/dbraw/zinc/84/42/66/388844266.db2.gz JHYVEKQBIPUELK-IUODEOHRSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000541221573 388845385 /nfs/dbraw/zinc/84/53/85/388845385.db2.gz JHYVEKQBIPUELK-SWLSCSKDSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000541221574 388844924 /nfs/dbraw/zinc/84/49/24/388844924.db2.gz JHYVEKQBIPUELK-WFASDCNBSA-N 1 0 249.423 3.944 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000541224687 388845122 /nfs/dbraw/zinc/84/51/22/388845122.db2.gz FNVSYJXIOLVGTI-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000541224688 388845351 /nfs/dbraw/zinc/84/53/51/388845351.db2.gz FNVSYJXIOLVGTI-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000541224689 388844534 /nfs/dbraw/zinc/84/45/34/388844534.db2.gz FNVSYJXIOLVGTI-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000541224690 388844101 /nfs/dbraw/zinc/84/41/01/388844101.db2.gz FNVSYJXIOLVGTI-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000541224977 388844094 /nfs/dbraw/zinc/84/40/94/388844094.db2.gz JFNJIRBNWYRLEI-AGIUHOORSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000541224978 388844467 /nfs/dbraw/zinc/84/44/67/388844467.db2.gz JFNJIRBNWYRLEI-FRRDWIJNSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000541224979 388844006 /nfs/dbraw/zinc/84/40/06/388844006.db2.gz JFNJIRBNWYRLEI-JHJVBQTASA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000541224980 388844458 /nfs/dbraw/zinc/84/44/58/388844458.db2.gz JFNJIRBNWYRLEI-UPJWGTAASA-N 1 0 237.412 3.800 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000541228480 388845331 /nfs/dbraw/zinc/84/53/31/388845331.db2.gz DJCLTYZULXAEIX-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)C[C@H]1CCCOC1 ZINC000541228482 388845305 /nfs/dbraw/zinc/84/53/05/388845305.db2.gz DJCLTYZULXAEIX-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000541236368 388843200 /nfs/dbraw/zinc/84/32/00/388843200.db2.gz GJHOVSCPUAKPJK-NEPJUHHUSA-N 1 0 225.401 3.657 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000541236369 388843478 /nfs/dbraw/zinc/84/34/78/388843478.db2.gz GJHOVSCPUAKPJK-NWDGAFQWSA-N 1 0 225.401 3.657 20 0 BHADRO CC[C@H](C)C[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000541236370 388843165 /nfs/dbraw/zinc/84/31/65/388843165.db2.gz GJHOVSCPUAKPJK-RYUDHWBXSA-N 1 0 225.401 3.657 20 0 BHADRO CC[C@@H](C)C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000541236371 388842531 /nfs/dbraw/zinc/84/25/31/388842531.db2.gz GJHOVSCPUAKPJK-VXGBXAGGSA-N 1 0 225.401 3.657 20 0 BHADRO CC(C)[N@H+]([C@H](C)Cc1ccsc1)C1CCC1 ZINC000541236383 388844809 /nfs/dbraw/zinc/84/48/09/388844809.db2.gz HDOWYXRONALNDU-GFCCVEGCSA-N 1 0 237.412 3.942 20 0 BHADRO CC(C)[N@H+]([C@@H](C)Cc1ccsc1)C1CCC1 ZINC000541236384 388844494 /nfs/dbraw/zinc/84/44/94/388844494.db2.gz HDOWYXRONALNDU-LBPRGKRZSA-N 1 0 237.412 3.942 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1ccc(C)cc1C[NH+](C)C ZINC000541239004 324951423 /nfs/dbraw/zinc/95/14/23/324951423.db2.gz YSYZIHRBCANYOX-KBPBESRZSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1ccc(C)cc1C[NH+](C)C ZINC000541239005 388845393 /nfs/dbraw/zinc/84/53/93/388845393.db2.gz YSYZIHRBCANYOX-KGLIPLIRSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1ccc(C)cc1C[NH+](C)C ZINC000541239006 388844830 /nfs/dbraw/zinc/84/48/30/388844830.db2.gz YSYZIHRBCANYOX-UONOGXRCSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1ccc(C)cc1C[NH+](C)C ZINC000541239007 388843984 /nfs/dbraw/zinc/84/39/84/388843984.db2.gz YSYZIHRBCANYOX-ZIAGYGMSSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)C ZINC000541240084 388846406 /nfs/dbraw/zinc/84/64/06/388846406.db2.gz WHYAXKYMDCRMRD-CYBMUJFWSA-N 1 0 245.370 3.728 20 0 BHADRO CC[C@H](Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)C ZINC000541240085 324951762 /nfs/dbraw/zinc/95/17/62/324951762.db2.gz WHYAXKYMDCRMRD-ZDUSSCGKSA-N 1 0 245.370 3.728 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000541254978 388846716 /nfs/dbraw/zinc/84/67/16/388846716.db2.gz DVHMMFMVLLIMIY-BFHYXJOUSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000541255014 388846354 /nfs/dbraw/zinc/84/63/54/388846354.db2.gz DVHMMFMVLLIMIY-IHRRRGAJSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000541255015 388845883 /nfs/dbraw/zinc/84/58/83/388845883.db2.gz DVHMMFMVLLIMIY-MELADBBJSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000541255016 388846374 /nfs/dbraw/zinc/84/63/74/388846374.db2.gz DVHMMFMVLLIMIY-MJBXVCDLSA-N 1 0 233.355 3.599 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@H]2CCCC[C@H]12 ZINC000541255184 388846027 /nfs/dbraw/zinc/84/60/27/388846027.db2.gz MVFBCNOOZXADRR-BNOWGMLFSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCC[C@H]21 ZINC000541255186 388845840 /nfs/dbraw/zinc/84/58/40/388845840.db2.gz MVFBCNOOZXADRR-KWCYVHTRSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCC[C@@H]21 ZINC000541255187 388846792 /nfs/dbraw/zinc/84/67/92/388846792.db2.gz MVFBCNOOZXADRR-MRVWCRGKSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)[C@H]2CCCC[C@@H]12 ZINC000541255190 388846607 /nfs/dbraw/zinc/84/66/07/388846607.db2.gz MVFBCNOOZXADRR-XBFCOCLRSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](CC(C)(C)C)[C@H]2CCCC[C@@H]12 ZINC000541255801 388846436 /nfs/dbraw/zinc/84/64/36/388846436.db2.gz WKLMAIIWDARUKM-AGIUHOORSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H]1C[N@H+](CC(C)(C)C)[C@@H]2CCCC[C@H]21 ZINC000541255802 388846169 /nfs/dbraw/zinc/84/61/69/388846169.db2.gz WKLMAIIWDARUKM-FRRDWIJNSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H]1C[N@H+](CC(C)(C)C)[C@@H]2CCCC[C@@H]21 ZINC000541255803 388846457 /nfs/dbraw/zinc/84/64/57/388846457.db2.gz WKLMAIIWDARUKM-JHJVBQTASA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H]1C[N@H+](CC(C)(C)C)[C@H]2CCCC[C@H]12 ZINC000541255804 388846015 /nfs/dbraw/zinc/84/60/15/388846015.db2.gz WKLMAIIWDARUKM-UPJWGTAASA-N 1 0 209.377 3.543 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)CC(C)C)cc1 ZINC000541270468 388846269 /nfs/dbraw/zinc/84/62/69/388846269.db2.gz YGHFHQNJAJPHIA-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000541271500 388846592 /nfs/dbraw/zinc/84/65/92/388846592.db2.gz GQGKXOUVPOUXEY-CYBMUJFWSA-N 1 0 223.747 3.669 20 0 BHADRO CCC[N@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000541271501 388846470 /nfs/dbraw/zinc/84/64/70/388846470.db2.gz GQGKXOUVPOUXEY-ZDUSSCGKSA-N 1 0 223.747 3.669 20 0 BHADRO CCC[N@H+](C)CCCc1ccccc1Cl ZINC000541271826 388846071 /nfs/dbraw/zinc/84/60/71/388846071.db2.gz FXAXODJEWVRVQL-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+]2CCCOCC2)cc1 ZINC000541272060 388845964 /nfs/dbraw/zinc/84/59/64/388845964.db2.gz GSECLGWEJQDUSV-AWEZNQCLSA-N 1 0 247.382 3.593 20 0 BHADRO CC(C)c1ccc([C@@H](C)[N@@H+]2CCCOCC2)cc1 ZINC000541272061 388846899 /nfs/dbraw/zinc/84/68/99/388846899.db2.gz GSECLGWEJQDUSV-CQSZACIVSA-N 1 0 247.382 3.593 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000541281221 388848079 /nfs/dbraw/zinc/84/80/79/388848079.db2.gz NHJLYLIOFCTIGG-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CC[NH+](CC)[C@@H]1CCc2ccc(Cl)cc21 ZINC000541281444 324952264 /nfs/dbraw/zinc/95/22/64/324952264.db2.gz DGYDZWYVMXADCL-CYBMUJFWSA-N 1 0 223.747 3.669 20 0 BHADRO CC[NH+](CC)[C@H]1CCc2ccc(Cl)cc21 ZINC000541281445 388846842 /nfs/dbraw/zinc/84/68/42/388846842.db2.gz DGYDZWYVMXADCL-ZDUSSCGKSA-N 1 0 223.747 3.669 20 0 BHADRO CCC[NH+](CCC)CCc1cccc(F)c1F ZINC000541281667 388848808 /nfs/dbraw/zinc/84/88/08/388848808.db2.gz JJDITHOMRLQSLB-UHFFFAOYSA-N 1 0 241.325 3.629 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000541281840 388848126 /nfs/dbraw/zinc/84/81/26/388848126.db2.gz QGSWGEDLQCEQAW-CYBMUJFWSA-N 1 0 217.356 3.967 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000541281843 388848006 /nfs/dbraw/zinc/84/80/06/388848006.db2.gz QGSWGEDLQCEQAW-ZDUSSCGKSA-N 1 0 217.356 3.967 20 0 BHADRO CC(C)c1ccc([C@@H](C)[NH+]2CCSCC2)cc1 ZINC000541282431 324953452 /nfs/dbraw/zinc/95/34/52/324953452.db2.gz LXIAKTMXFJTZLU-CYBMUJFWSA-N 1 0 249.423 3.920 20 0 BHADRO CC(C)c1ccc([C@H](C)[NH+]2CCSCC2)cc1 ZINC000541282432 388847560 /nfs/dbraw/zinc/84/75/60/388847560.db2.gz LXIAKTMXFJTZLU-ZDUSSCGKSA-N 1 0 249.423 3.920 20 0 BHADRO Cc1ccc(CCC[NH+]2C3CCC2CC3)cc1 ZINC000541282719 388848519 /nfs/dbraw/zinc/84/85/19/388848519.db2.gz RBKOWOBJQSUUFO-UHFFFAOYSA-N 1 0 229.367 3.554 20 0 BHADRO CC[NH+](CC)CCCc1ccccc1Cl ZINC000541283168 388848358 /nfs/dbraw/zinc/84/83/58/388848358.db2.gz WBAZPMVPSVWSOE-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO C[N@H+](CCCc1ccsc1)C[C@H]1CC=CCC1 ZINC000541313902 388847815 /nfs/dbraw/zinc/84/78/15/388847815.db2.gz UGEZDDKILYLOAK-AWEZNQCLSA-N 1 0 249.423 3.969 20 0 BHADRO C[N@H+](CCCc1ccsc1)C[C@@H]1CC=CCC1 ZINC000541313903 388848093 /nfs/dbraw/zinc/84/80/93/388848093.db2.gz UGEZDDKILYLOAK-CQSZACIVSA-N 1 0 249.423 3.969 20 0 BHADRO CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541317085 388848026 /nfs/dbraw/zinc/84/80/26/388848026.db2.gz XCOIIFQPOLZZIS-BBRMVZONSA-N 1 0 247.382 3.878 20 0 BHADRO CCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541317086 388847478 /nfs/dbraw/zinc/84/74/78/388847478.db2.gz XCOIIFQPOLZZIS-CJNGLKHVSA-N 1 0 247.382 3.878 20 0 BHADRO CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541317087 388848694 /nfs/dbraw/zinc/84/86/94/388848694.db2.gz XCOIIFQPOLZZIS-CZUORRHYSA-N 1 0 247.382 3.878 20 0 BHADRO CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541317088 388848549 /nfs/dbraw/zinc/84/85/49/388848549.db2.gz XCOIIFQPOLZZIS-XJKSGUPXSA-N 1 0 247.382 3.878 20 0 BHADRO CC[N@H+](CCCO)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000541348006 388850609 /nfs/dbraw/zinc/85/06/09/388850609.db2.gz HBRFGISCTVDKER-AWEZNQCLSA-N 1 0 249.398 3.575 20 0 BHADRO CC[N@H+](CCCO)[C@H](C)c1ccc(C(C)C)cc1 ZINC000541348007 388849540 /nfs/dbraw/zinc/84/95/40/388849540.db2.gz HBRFGISCTVDKER-CQSZACIVSA-N 1 0 249.398 3.575 20 0 BHADRO C[N@H+](CCCc1ccccc1Cl)C1CCC1 ZINC000541350262 388850178 /nfs/dbraw/zinc/85/01/78/388850178.db2.gz YVXZAJSYFKZJMD-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO CCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541391226 388849490 /nfs/dbraw/zinc/84/94/90/388849490.db2.gz WUDIRKRPYFDRPL-AWEZNQCLSA-N 1 0 217.356 3.503 20 0 BHADRO CCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541391228 388850703 /nfs/dbraw/zinc/85/07/03/388850703.db2.gz WUDIRKRPYFDRPL-CQSZACIVSA-N 1 0 217.356 3.503 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000541391734 388850548 /nfs/dbraw/zinc/85/05/48/388850548.db2.gz AHVCQUALKQLWHP-DLBZAZTESA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000541391742 388850616 /nfs/dbraw/zinc/85/06/16/388850616.db2.gz AHVCQUALKQLWHP-IAGOWNOFSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000541391743 388849217 /nfs/dbraw/zinc/84/92/17/388849217.db2.gz AHVCQUALKQLWHP-IRXDYDNUSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000541391744 388849256 /nfs/dbraw/zinc/84/92/56/388849256.db2.gz AHVCQUALKQLWHP-SJORKVTESA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC000541392596 388849858 /nfs/dbraw/zinc/84/98/58/388849858.db2.gz IQZMDTVYGARGHX-INIZCTEOSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CCC3CC3)C2)cc1 ZINC000541392598 388849828 /nfs/dbraw/zinc/84/98/28/388849828.db2.gz IQZMDTVYGARGHX-MRXNPFEDSA-N 1 0 229.367 3.584 20 0 BHADRO CCC(C)(C)CC[N@H+](C)CCc1ccccc1O ZINC000541393776 388850668 /nfs/dbraw/zinc/85/06/68/388850668.db2.gz ROQDZSVIBOVKRF-UHFFFAOYSA-N 1 0 249.398 3.693 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000541394442 388850626 /nfs/dbraw/zinc/85/06/26/388850626.db2.gz VCEIHHYJPAZTSB-HNNXBMFYSA-N 1 0 249.423 3.537 20 0 BHADRO CCSCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000541394443 388850019 /nfs/dbraw/zinc/85/00/19/388850019.db2.gz VCEIHHYJPAZTSB-OAHLLOKOSA-N 1 0 249.423 3.537 20 0 BHADRO CCc1cnc(C[N@H+](C)[C@@H](C)C(C)(C)C)s1 ZINC000541534650 388854807 /nfs/dbraw/zinc/85/48/07/388854807.db2.gz UHVATBVANLKIIE-JTQLQIEISA-N 1 0 240.416 3.572 20 0 BHADRO CCc1cnc(C[N@H+](C)[C@H](C)C(C)(C)C)s1 ZINC000541534654 388854187 /nfs/dbraw/zinc/85/41/87/388854187.db2.gz UHVATBVANLKIIE-SNVBAGLBSA-N 1 0 240.416 3.572 20 0 BHADRO Cc1cc(C[N@@H+]2CCC2(C)C)cc2cccnc12 ZINC000541535348 388855342 /nfs/dbraw/zinc/85/53/42/388855342.db2.gz AVHAZOKHSASUHK-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1cccc(O)c1 ZINC000541537602 388854714 /nfs/dbraw/zinc/85/47/14/388854714.db2.gz VZDKSHGILPZEQS-DZGCQCFKSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)Cc1cccc(O)c1 ZINC000541537603 388854199 /nfs/dbraw/zinc/85/41/99/388854199.db2.gz VZDKSHGILPZEQS-HIFRSBDPSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1cccc(O)c1 ZINC000541537604 388855180 /nfs/dbraw/zinc/85/51/80/388855180.db2.gz VZDKSHGILPZEQS-UKRRQHHQSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)Cc1cccc(O)c1 ZINC000541537605 388855558 /nfs/dbraw/zinc/85/55/58/388855558.db2.gz VZDKSHGILPZEQS-ZFWWWQNUSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)OCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000541542388 324963170 /nfs/dbraw/zinc/96/31/70/324963170.db2.gz UUQJCFOWCFFXCQ-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000541542389 324963647 /nfs/dbraw/zinc/96/36/47/324963647.db2.gz UUQJCFOWCFFXCQ-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000541543413 324963639 /nfs/dbraw/zinc/96/36/39/324963639.db2.gz IZHRVQNLKGXCFF-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000541543414 324963293 /nfs/dbraw/zinc/96/32/93/324963293.db2.gz IZHRVQNLKGXCFF-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000541543415 324964252 /nfs/dbraw/zinc/96/42/52/324964252.db2.gz IZHRVQNLKGXCFF-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000541543417 388854515 /nfs/dbraw/zinc/85/45/15/388854515.db2.gz IZHRVQNLKGXCFF-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO COc1ccccc1C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541551402 388856094 /nfs/dbraw/zinc/85/60/94/388856094.db2.gz LOGOSFZKMHTGJT-AWEZNQCLSA-N 1 0 247.382 3.563 20 0 BHADRO COc1ccccc1C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000541551403 388856200 /nfs/dbraw/zinc/85/62/00/388856200.db2.gz LOGOSFZKMHTGJT-CQSZACIVSA-N 1 0 247.382 3.563 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](Cc3ccco3)C2)c1 ZINC000541553366 388857054 /nfs/dbraw/zinc/85/70/54/388857054.db2.gz FBIGUJCKMANYLA-HNNXBMFYSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](Cc3ccco3)C2)c1 ZINC000541553367 388856845 /nfs/dbraw/zinc/85/68/45/388856845.db2.gz FBIGUJCKMANYLA-OAHLLOKOSA-N 1 0 241.334 3.578 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000541553488 388856687 /nfs/dbraw/zinc/85/66/87/388856687.db2.gz QSQFKBVUJDFHJB-KBPBESRZSA-N 1 0 249.423 3.967 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000541553489 388857108 /nfs/dbraw/zinc/85/71/08/388857108.db2.gz QSQFKBVUJDFHJB-KGLIPLIRSA-N 1 0 249.423 3.967 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000541553490 388857259 /nfs/dbraw/zinc/85/72/59/388857259.db2.gz QSQFKBVUJDFHJB-UONOGXRCSA-N 1 0 249.423 3.967 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000541553491 388856930 /nfs/dbraw/zinc/85/69/30/388856930.db2.gz QSQFKBVUJDFHJB-ZIAGYGMSSA-N 1 0 249.423 3.967 20 0 BHADRO CCc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)o1 ZINC000541554287 388856782 /nfs/dbraw/zinc/85/67/82/388856782.db2.gz YMBOENGCKMRSJD-CYBMUJFWSA-N 1 0 233.355 3.630 20 0 BHADRO CCc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)o1 ZINC000541554352 388855593 /nfs/dbraw/zinc/85/55/93/388855593.db2.gz YMBOENGCKMRSJD-ZDUSSCGKSA-N 1 0 233.355 3.630 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000541557380 324067693 /nfs/dbraw/zinc/06/76/93/324067693.db2.gz GKXUWLUSOYKMAI-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000541557383 324067896 /nfs/dbraw/zinc/06/78/96/324067896.db2.gz GKXUWLUSOYKMAI-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000541557384 324067322 /nfs/dbraw/zinc/06/73/22/324067322.db2.gz GKXUWLUSOYKMAI-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000541557386 324068006 /nfs/dbraw/zinc/06/80/06/324068006.db2.gz GKXUWLUSOYKMAI-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000541557687 324964800 /nfs/dbraw/zinc/96/48/00/324964800.db2.gz FHZMLGCGQXOXDK-ILXRZTDVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000541557688 388856863 /nfs/dbraw/zinc/85/68/63/388856863.db2.gz FHZMLGCGQXOXDK-KFWWJZLASA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000541557689 324067631 /nfs/dbraw/zinc/06/76/31/324067631.db2.gz FHZMLGCGQXOXDK-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000541557690 324067682 /nfs/dbraw/zinc/06/76/82/324067682.db2.gz FHZMLGCGQXOXDK-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)[NH2+]CC1(c2ccc(OC)cc2)CCC1 ZINC000541559461 324964890 /nfs/dbraw/zinc/96/48/90/324964890.db2.gz SFTZKXZMKOQFHG-CYBMUJFWSA-N 1 0 247.382 3.505 20 0 BHADRO CC[C@H](C)[NH2+]CC1(c2ccc(OC)cc2)CCC1 ZINC000541559462 324964940 /nfs/dbraw/zinc/96/49/40/324964940.db2.gz SFTZKXZMKOQFHG-ZDUSSCGKSA-N 1 0 247.382 3.505 20 0 BHADRO C[C@H](C[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000541586461 388857757 /nfs/dbraw/zinc/85/77/57/388857757.db2.gz XTWOGQXIHDBNFV-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000541586462 388858652 /nfs/dbraw/zinc/85/86/52/388858652.db2.gz XTWOGQXIHDBNFV-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)CCC1CC1 ZINC000541588199 388858669 /nfs/dbraw/zinc/85/86/69/388858669.db2.gz XTGIUNWDLIMOEL-AWEZNQCLSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)CCC1CC1 ZINC000541588200 388857926 /nfs/dbraw/zinc/85/79/26/388857926.db2.gz XTGIUNWDLIMOEL-CQSZACIVSA-N 1 0 231.383 3.597 20 0 BHADRO CCC1([NH2+]C[C@@H](C)Cc2ccccc2)CCC1 ZINC000541588300 388859047 /nfs/dbraw/zinc/85/90/47/388859047.db2.gz BZMKQIKLAGHKGY-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO CCC1([NH2+]C[C@H](C)Cc2ccccc2)CCC1 ZINC000541588302 324966956 /nfs/dbraw/zinc/96/69/56/324966956.db2.gz BZMKQIKLAGHKGY-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO Cc1cccnc1NC[C@H](C)Cc1ccccc1 ZINC000541588343 388858264 /nfs/dbraw/zinc/85/82/64/388858264.db2.gz DWGGAIGYSCDNOC-CYBMUJFWSA-N 1 0 240.350 3.681 20 0 BHADRO CCCCC[N@H+](CC[C@@H]1CCCCO1)C(C)C ZINC000541589661 388857679 /nfs/dbraw/zinc/85/76/79/388857679.db2.gz DPEZQGSZVFXMDS-HNNXBMFYSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCC[N@H+](CC[C@H]1CCCCO1)C(C)C ZINC000541589662 388858098 /nfs/dbraw/zinc/85/80/98/388858098.db2.gz DPEZQGSZVFXMDS-OAHLLOKOSA-N 1 0 241.419 3.846 20 0 BHADRO C[N@H+](CC[C@@H]1CCCCO1)C1CCCCCC1 ZINC000541590271 388858198 /nfs/dbraw/zinc/85/81/98/388858198.db2.gz RJWJOHZKDIUXKB-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](CC[C@H]1CCCCO1)C1CCCCCC1 ZINC000541590272 388858017 /nfs/dbraw/zinc/85/80/17/388858017.db2.gz RJWJOHZKDIUXKB-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](CCCc1ccncc1)C1CCCCCC1 ZINC000541590753 388860435 /nfs/dbraw/zinc/86/04/35/388860435.db2.gz AWGGLWYSYRJFQG-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000541590804 388860446 /nfs/dbraw/zinc/86/04/46/388860446.db2.gz DWTLHNWGBVDGOD-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000541590806 324967611 /nfs/dbraw/zinc/96/76/11/324967611.db2.gz DWTLHNWGBVDGOD-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000541591797 388859459 /nfs/dbraw/zinc/85/94/59/388859459.db2.gz ZLLRLFIRDNBXRL-HNNXBMFYSA-N 1 0 239.403 3.599 20 0 BHADRO CCC(CC)[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000541591798 388859679 /nfs/dbraw/zinc/85/96/79/388859679.db2.gz ZLLRLFIRDNBXRL-OAHLLOKOSA-N 1 0 239.403 3.599 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+]C1(C2CC2)CC1 ZINC000541593073 324967518 /nfs/dbraw/zinc/96/75/18/324967518.db2.gz OXCOFMYXLWRQNV-UHFFFAOYSA-N 1 0 237.346 3.872 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1(C3CC3)CC1)CCC2 ZINC000541594263 324967610 /nfs/dbraw/zinc/96/76/10/324967610.db2.gz XFQKFGMEZBMGTN-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1(C3CC3)CC1)CCC2 ZINC000541594264 324967720 /nfs/dbraw/zinc/96/77/20/324967720.db2.gz XFQKFGMEZBMGTN-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cnccc1C)C1CCC1 ZINC000541596073 324967686 /nfs/dbraw/zinc/96/76/86/324967686.db2.gz ZRRKFKLJCOZXBZ-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cnccc1C)C1CCC1 ZINC000541596075 324967608 /nfs/dbraw/zinc/96/76/08/324967608.db2.gz ZRRKFKLJCOZXBZ-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000541597145 388859999 /nfs/dbraw/zinc/85/99/99/388859999.db2.gz NCGANTPRIUBUSH-HNNXBMFYSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000541597150 388860460 /nfs/dbraw/zinc/86/04/60/388860460.db2.gz NCGANTPRIUBUSH-OAHLLOKOSA-N 1 0 227.351 3.596 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1 ZINC000541597741 388860526 /nfs/dbraw/zinc/86/05/26/388860526.db2.gz XUTWMMNVGUVHIG-AWEZNQCLSA-N 1 0 233.330 3.809 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1 ZINC000541597742 324968201 /nfs/dbraw/zinc/96/82/01/324968201.db2.gz XUTWMMNVGUVHIG-CQSZACIVSA-N 1 0 233.330 3.809 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000541694585 388864593 /nfs/dbraw/zinc/86/45/93/388864593.db2.gz DJUMULBZMMNVLW-JTQLQIEISA-N 1 0 223.282 3.593 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000541694586 388864757 /nfs/dbraw/zinc/86/47/57/388864757.db2.gz DJUMULBZMMNVLW-SNVBAGLBSA-N 1 0 223.282 3.593 20 0 BHADRO CCCC[C@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541738588 324975756 /nfs/dbraw/zinc/97/57/56/324975756.db2.gz NXNZQVHVNUDHFX-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541738589 388866002 /nfs/dbraw/zinc/86/60/02/388866002.db2.gz NXNZQVHVNUDHFX-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](COC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000541739801 324975884 /nfs/dbraw/zinc/97/58/84/324975884.db2.gz QDFNWKSBVWKPJD-GDBMZVCRSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@H](COC)[NH2+]C[C@H](C)c1ccccc1 ZINC000541739802 388866047 /nfs/dbraw/zinc/86/60/47/388866047.db2.gz QDFNWKSBVWKPJD-GOEBONIOSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@@H](COC)[NH2+]C[C@H](C)c1ccccc1 ZINC000541739803 324975766 /nfs/dbraw/zinc/97/57/66/324975766.db2.gz QDFNWKSBVWKPJD-HOCLYGCPSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@@H](COC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000541739804 324976491 /nfs/dbraw/zinc/97/64/91/324976491.db2.gz QDFNWKSBVWKPJD-ZBFHGGJFSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541739933 324976742 /nfs/dbraw/zinc/97/67/42/324976742.db2.gz BUASFAFHSXNGJC-DNDYEEKYSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541739934 324976305 /nfs/dbraw/zinc/97/63/05/324976305.db2.gz BUASFAFHSXNGJC-HESLUPGFSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541739935 324976570 /nfs/dbraw/zinc/97/65/70/324976570.db2.gz BUASFAFHSXNGJC-LMRVLLHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541739936 388866513 /nfs/dbraw/zinc/86/65/13/388866513.db2.gz BUASFAFHSXNGJC-ZUJMUWTESA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)(CC)C[N@@H+]1CCCSCC1 ZINC000541761794 388867517 /nfs/dbraw/zinc/86/75/17/388867517.db2.gz YUXUJLSBFOGXDU-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CCC(CC)C[NH2+]CCC1CCC(OC)CC1 ZINC000541763854 388867283 /nfs/dbraw/zinc/86/72/83/388867283.db2.gz ZCZUOCUEKDFNOY-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000541768773 388867330 /nfs/dbraw/zinc/86/73/30/388867330.db2.gz OGPDGKCWWZYUBT-AATRIKPKSA-N 1 0 239.309 3.710 20 0 BHADRO CCCC[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000541768774 388867082 /nfs/dbraw/zinc/86/70/82/388867082.db2.gz OGPDGKCWWZYUBT-WAYWQWQTSA-N 1 0 239.309 3.710 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CCC23CCC3)c(F)c1 ZINC000541769568 388866827 /nfs/dbraw/zinc/86/68/27/388866827.db2.gz BEQXYZNTAITJOP-HNQUOIGGSA-N 1 0 249.304 3.606 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CCC23CCC3)c(F)c1 ZINC000541769570 388867602 /nfs/dbraw/zinc/86/76/02/388867602.db2.gz BEQXYZNTAITJOP-IWQZZHSRSA-N 1 0 249.304 3.606 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ccon1 ZINC000541770863 324978694 /nfs/dbraw/zinc/97/86/94/324978694.db2.gz AYJFQIJWJCAHRG-AGIUHOORSA-N 1 0 244.338 3.517 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000541770864 324979094 /nfs/dbraw/zinc/97/90/94/324979094.db2.gz AYJFQIJWJCAHRG-AVGNSLFASA-N 1 0 244.338 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@@H](C)c1ccccc1 ZINC000541770866 324978629 /nfs/dbraw/zinc/97/86/29/324978629.db2.gz AYJFQIJWJCAHRG-UPJWGTAASA-N 1 0 244.338 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@H](C)c1ccccc1 ZINC000541770867 324978961 /nfs/dbraw/zinc/97/89/61/324978961.db2.gz AYJFQIJWJCAHRG-XQQFMLRXSA-N 1 0 244.338 3.517 20 0 BHADRO CCC[N@H+](CC)C/C=C/c1ccc(F)cc1F ZINC000541771434 388866780 /nfs/dbraw/zinc/86/67/80/388866780.db2.gz IIWHUGHIHJCULQ-AATRIKPKSA-N 1 0 239.309 3.710 20 0 BHADRO CCC[N@H+](CC)C/C=C\c1ccc(F)cc1F ZINC000541771435 388867539 /nfs/dbraw/zinc/86/75/39/388867539.db2.gz IIWHUGHIHJCULQ-WAYWQWQTSA-N 1 0 239.309 3.710 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000541778241 388868646 /nfs/dbraw/zinc/86/86/46/388868646.db2.gz RILTXKPBDQEXAO-CYBMUJFWSA-N 1 0 223.385 3.903 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000541778242 388868217 /nfs/dbraw/zinc/86/82/17/388868217.db2.gz RILTXKPBDQEXAO-ZDUSSCGKSA-N 1 0 223.385 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCC1CCC(OC)CC1 ZINC000541779108 324979815 /nfs/dbraw/zinc/97/98/15/324979815.db2.gz PLMRCNXUFFNDBN-SHARSMKWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](CC)[NH2+]CCC1CCC(OC)CC1 ZINC000541779109 324979518 /nfs/dbraw/zinc/97/95/18/324979518.db2.gz PLMRCNXUFFNDBN-SLTAFYQDSA-N 1 0 241.419 3.750 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000541849871 324983342 /nfs/dbraw/zinc/98/33/42/324983342.db2.gz ILVVSCQOGDYQAB-CYBMUJFWSA-N 1 0 245.366 3.825 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000541849872 324983266 /nfs/dbraw/zinc/98/32/66/324983266.db2.gz ILVVSCQOGDYQAB-ZDUSSCGKSA-N 1 0 245.366 3.825 20 0 BHADRO Cc1cc(C[NH+]2C3CCC2CC3)ccc1Cl ZINC000541881492 388872188 /nfs/dbraw/zinc/87/21/88/388872188.db2.gz NKXXHSSUXLCJLF-UHFFFAOYSA-N 1 0 235.758 3.775 20 0 BHADRO Cc1cc(C[NH+]2CCCCC2)ccc1Cl ZINC000541886469 388873249 /nfs/dbraw/zinc/87/32/49/388873249.db2.gz MYYQWEPFRGFXBF-UHFFFAOYSA-N 1 0 223.747 3.634 20 0 BHADRO Cc1cc(C[N@@H+]2CCC2(C)C)ccc1Cl ZINC000541886497 323160980 /nfs/dbraw/zinc/16/09/80/323160980.db2.gz AYOVYJGVHLJZIH-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)CCO1 ZINC000541886880 388873719 /nfs/dbraw/zinc/87/37/19/388873719.db2.gz LASFXLMOYHTYMV-BFHYXJOUSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](C)[C@H](C)C(C)(C)C)CCO1 ZINC000541886883 388873507 /nfs/dbraw/zinc/87/35/07/388873507.db2.gz LASFXLMOYHTYMV-HZSPNIEDSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)CCO1 ZINC000541886885 388873563 /nfs/dbraw/zinc/87/35/63/388873563.db2.gz LASFXLMOYHTYMV-MELADBBJSA-N 1 0 241.419 3.558 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](C)[C@H](C)C(C)(C)C)CCO1 ZINC000541886887 388873779 /nfs/dbraw/zinc/87/37/79/388873779.db2.gz LASFXLMOYHTYMV-MGPQQGTHSA-N 1 0 241.419 3.558 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000541904345 388874949 /nfs/dbraw/zinc/87/49/49/388874949.db2.gz JZIRQYYMPLJBKZ-CORIIIEPSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000541904348 388874953 /nfs/dbraw/zinc/87/49/53/388874953.db2.gz JZIRQYYMPLJBKZ-NJZAAPMLSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000541904349 388874832 /nfs/dbraw/zinc/87/48/32/388874832.db2.gz JZIRQYYMPLJBKZ-OSAQELSMSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000541904351 324993099 /nfs/dbraw/zinc/99/30/99/324993099.db2.gz JZIRQYYMPLJBKZ-UXIGCNINSA-N 1 0 235.371 3.545 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000541985942 325002303 /nfs/dbraw/zinc/00/23/03/325002303.db2.gz XEESJFNNJJZWEU-AWEZNQCLSA-N 1 0 243.394 3.664 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000541985943 325002787 /nfs/dbraw/zinc/00/27/87/325002787.db2.gz XEESJFNNJJZWEU-CQSZACIVSA-N 1 0 243.394 3.664 20 0 BHADRO C[N@H+](C[C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000541986060 325002378 /nfs/dbraw/zinc/00/23/78/325002378.db2.gz DQIUFNQCPGMCKY-AWEZNQCLSA-N 1 0 243.394 3.666 20 0 BHADRO C[N@H+](C[C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000541986061 325002601 /nfs/dbraw/zinc/00/26/01/325002601.db2.gz DQIUFNQCPGMCKY-CQSZACIVSA-N 1 0 243.394 3.666 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000541994892 325002563 /nfs/dbraw/zinc/00/25/63/325002563.db2.gz JGIWWNVKYVDHEY-AWEZNQCLSA-N 1 0 249.398 3.570 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000541994893 325002730 /nfs/dbraw/zinc/00/27/30/325002730.db2.gz JGIWWNVKYVDHEY-CQSZACIVSA-N 1 0 249.398 3.570 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)[C@@H]1CCSC1 ZINC000542020025 325004684 /nfs/dbraw/zinc/00/46/84/325004684.db2.gz OHKSDISOXLKMFL-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)[C@H]1CCSC1 ZINC000542020030 325004614 /nfs/dbraw/zinc/00/46/14/325004614.db2.gz OHKSDISOXLKMFL-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2ccsc2)C1 ZINC000542091402 325008023 /nfs/dbraw/zinc/00/80/23/325008023.db2.gz BWZHWWHBQMFYND-BETUJISGSA-N 1 0 237.412 3.659 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCc2ccsc2)C1 ZINC000542091403 325008591 /nfs/dbraw/zinc/00/85/91/325008591.db2.gz BWZHWWHBQMFYND-CHWSQXEVSA-N 1 0 237.412 3.659 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCCc2ccsc2)C1 ZINC000542091404 325008596 /nfs/dbraw/zinc/00/85/96/325008596.db2.gz BWZHWWHBQMFYND-STQMWFEESA-N 1 0 237.412 3.659 20 0 BHADRO CCC[N@H+](CCCc1ccsc1)CC1CC1 ZINC000542091554 325008609 /nfs/dbraw/zinc/00/86/09/325008609.db2.gz JTIIILCOGFYPCT-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CCCC[N@H+](CC)CCCc1ccsc1 ZINC000542091757 325008125 /nfs/dbraw/zinc/00/81/25/325008125.db2.gz WKEDIBIHEROKDZ-UHFFFAOYSA-N 1 0 225.401 3.803 20 0 BHADRO C[N@H+](CCCc1ccsc1)C(C1CC1)C1CC1 ZINC000542100700 325008210 /nfs/dbraw/zinc/00/82/10/325008210.db2.gz IBAQPDMKGDSSSZ-UHFFFAOYSA-N 1 0 249.423 3.801 20 0 BHADRO CC(C)[N@H+](CCCc1ccsc1)CC1CC1 ZINC000542102637 325008565 /nfs/dbraw/zinc/00/85/65/325008565.db2.gz JRLOAZGTQZNBBP-UHFFFAOYSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCc1ccsc1 ZINC000542104901 325009135 /nfs/dbraw/zinc/00/91/35/325009135.db2.gz WDRVUMGXTXKTEJ-GFCCVEGCSA-N 1 0 225.401 3.659 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCc1ccsc1 ZINC000542104902 325008886 /nfs/dbraw/zinc/00/88/86/325008886.db2.gz WDRVUMGXTXKTEJ-LBPRGKRZSA-N 1 0 225.401 3.659 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccsc2)[C@@H]1C ZINC000542104924 325009284 /nfs/dbraw/zinc/00/92/84/325009284.db2.gz WXGMBXJXZWHMNN-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccsc2)[C@H]1C ZINC000542104926 325009076 /nfs/dbraw/zinc/00/90/76/325009076.db2.gz WXGMBXJXZWHMNN-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCc1ccsc1 ZINC000542104927 325008897 /nfs/dbraw/zinc/00/88/97/325008897.db2.gz WXGMBXJXZWHMNN-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CCC[N@H+](CCCc2ccsc2)[C@H]1C ZINC000542104929 325009061 /nfs/dbraw/zinc/00/90/61/325009061.db2.gz WXGMBXJXZWHMNN-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CCC[N@H+](CC1CC1)[C@H](C)Cc1ccsc1 ZINC000542128718 325009685 /nfs/dbraw/zinc/00/96/85/325009685.db2.gz UKJSFNWYOCMDCX-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO CCC[N@H+](CC1CC1)[C@@H](C)Cc1ccsc1 ZINC000542128719 325009820 /nfs/dbraw/zinc/00/98/20/325009820.db2.gz UKJSFNWYOCMDCX-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1CCCCCC1 ZINC000542129631 325010131 /nfs/dbraw/zinc/01/01/31/325010131.db2.gz SXBIUGPEUMIXMP-GFCCVEGCSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1CCCCCC1 ZINC000542129635 325009894 /nfs/dbraw/zinc/00/98/94/325009894.db2.gz SXBIUGPEUMIXMP-LBPRGKRZSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000542129867 325010106 /nfs/dbraw/zinc/01/01/06/325010106.db2.gz VPMLMBHQNSJUAV-GXTWGEPZSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000542129868 325009880 /nfs/dbraw/zinc/00/98/80/325009880.db2.gz VPMLMBHQNSJUAV-JSGCOSHPSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000542129870 325009714 /nfs/dbraw/zinc/00/97/14/325009714.db2.gz VPMLMBHQNSJUAV-OCCSQVGLSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000542129873 325010036 /nfs/dbraw/zinc/01/00/36/325010036.db2.gz VPMLMBHQNSJUAV-TZMCWYRMSA-N 1 0 237.412 3.944 20 0 BHADRO CCC[NH+](CCC)[C@H](C)Cc1ccsc1 ZINC000542130659 325009981 /nfs/dbraw/zinc/00/99/81/325009981.db2.gz HUVITZBXYZQQRA-GFCCVEGCSA-N 1 0 225.401 3.801 20 0 BHADRO CCC[NH+](CCC)[C@@H](C)Cc1ccsc1 ZINC000542130660 325009950 /nfs/dbraw/zinc/00/99/50/325009950.db2.gz HUVITZBXYZQQRA-LBPRGKRZSA-N 1 0 225.401 3.801 20 0 BHADRO CC[N@H+](C(C)C)[C@H](C)CCc1cccc(F)c1 ZINC000542130700 325010100 /nfs/dbraw/zinc/01/01/00/325010100.db2.gz KLWFIOVQBQOJQP-CYBMUJFWSA-N 1 0 237.362 3.877 20 0 BHADRO CC[N@H+](C(C)C)[C@@H](C)CCc1cccc(F)c1 ZINC000542130701 325009987 /nfs/dbraw/zinc/00/99/87/325009987.db2.gz KLWFIOVQBQOJQP-ZDUSSCGKSA-N 1 0 237.362 3.877 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C1CCCCC1 ZINC000542130877 325009960 /nfs/dbraw/zinc/00/99/60/325009960.db2.gz XDFIZXJLVHKMSE-GFCCVEGCSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C1CCCCC1 ZINC000542130878 325009764 /nfs/dbraw/zinc/00/97/64/325009764.db2.gz XDFIZXJLVHKMSE-LBPRGKRZSA-N 1 0 237.412 3.944 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000542131006 325009667 /nfs/dbraw/zinc/00/96/67/325009667.db2.gz FBYAJPBLXFJZQW-NEPJUHHUSA-N 1 0 225.401 3.655 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000542131007 325010053 /nfs/dbraw/zinc/01/00/53/325010053.db2.gz FBYAJPBLXFJZQW-NWDGAFQWSA-N 1 0 225.401 3.655 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000542131008 325009735 /nfs/dbraw/zinc/00/97/35/325009735.db2.gz FBYAJPBLXFJZQW-RYUDHWBXSA-N 1 0 225.401 3.655 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000542131009 325009877 /nfs/dbraw/zinc/00/98/77/325009877.db2.gz FBYAJPBLXFJZQW-VXGBXAGGSA-N 1 0 225.401 3.655 20 0 BHADRO CC(C)=CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000542135068 325010745 /nfs/dbraw/zinc/01/07/45/325010745.db2.gz XNAURSIEAZDZDJ-GFCCVEGCSA-N 1 0 201.313 3.529 20 0 BHADRO CC(C)=CC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000542135074 325010595 /nfs/dbraw/zinc/01/05/95/325010595.db2.gz XNAURSIEAZDZDJ-LBPRGKRZSA-N 1 0 201.313 3.529 20 0 BHADRO CCC[N@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000542143732 325010904 /nfs/dbraw/zinc/01/09/04/325010904.db2.gz SBEMMCPJWGWDOZ-LLVKDONJSA-N 1 0 223.385 3.554 20 0 BHADRO CCC[N@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000542143733 325010690 /nfs/dbraw/zinc/01/06/90/325010690.db2.gz SBEMMCPJWGWDOZ-NSHDSACASA-N 1 0 223.385 3.554 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1[C@@H](C)CCc1cccc(F)c1 ZINC000542144772 325010887 /nfs/dbraw/zinc/01/08/87/325010887.db2.gz JHZANULPAHIRBB-BBRMVZONSA-N 1 0 249.373 3.877 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000542144773 325010945 /nfs/dbraw/zinc/01/09/45/325010945.db2.gz JHZANULPAHIRBB-CJNGLKHVSA-N 1 0 249.373 3.877 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000542144774 325010522 /nfs/dbraw/zinc/01/05/22/325010522.db2.gz JHZANULPAHIRBB-CZUORRHYSA-N 1 0 249.373 3.877 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1[C@@H](C)CCc1cccc(F)c1 ZINC000542144775 325010708 /nfs/dbraw/zinc/01/07/08/325010708.db2.gz JHZANULPAHIRBB-XJKSGUPXSA-N 1 0 249.373 3.877 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000542150319 325010680 /nfs/dbraw/zinc/01/06/80/325010680.db2.gz DETFTIWDRCHDCR-LLVKDONJSA-N 1 0 249.379 3.713 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000542150320 325010650 /nfs/dbraw/zinc/01/06/50/325010650.db2.gz DETFTIWDRCHDCR-NSHDSACASA-N 1 0 249.379 3.713 20 0 BHADRO CCC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000542150745 325010601 /nfs/dbraw/zinc/01/06/01/325010601.db2.gz HIQLOIBCOOXOCJ-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO CCC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000542150746 325010615 /nfs/dbraw/zinc/01/06/15/325010615.db2.gz HIQLOIBCOOXOCJ-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)N(CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000542151835 325010634 /nfs/dbraw/zinc/01/06/34/325010634.db2.gz RQGLIXXOLBUFIB-JTQLQIEISA-N 1 0 247.354 3.655 20 0 BHADRO CC(C)N(CC(F)F)[C@H](C)Cc1ccsc1 ZINC000542151836 325010753 /nfs/dbraw/zinc/01/07/53/325010753.db2.gz RQGLIXXOLBUFIB-SNVBAGLBSA-N 1 0 247.354 3.655 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000542151972 325010860 /nfs/dbraw/zinc/01/08/60/325010860.db2.gz ZSNYZIQALXWLNS-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000542151973 325010932 /nfs/dbraw/zinc/01/09/32/325010932.db2.gz ZSNYZIQALXWLNS-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000542151974 325010765 /nfs/dbraw/zinc/01/07/65/325010765.db2.gz ZSNYZIQALXWLNS-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000542151975 325010530 /nfs/dbraw/zinc/01/05/30/325010530.db2.gz ZSNYZIQALXWLNS-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CC[N@H+]([C@H](C)Cc1ccsc1)C1CCC1 ZINC000542152003 325011395 /nfs/dbraw/zinc/01/13/95/325011395.db2.gz AYEJFNGQAIXXAO-LLVKDONJSA-N 1 0 223.385 3.554 20 0 BHADRO CC[N@H+]([C@@H](C)Cc1ccsc1)C1CCC1 ZINC000542152004 325011555 /nfs/dbraw/zinc/01/15/55/325011555.db2.gz AYEJFNGQAIXXAO-NSHDSACASA-N 1 0 223.385 3.554 20 0 BHADRO CC[N@H+]([C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542152226 325011715 /nfs/dbraw/zinc/01/17/15/325011715.db2.gz NUZRTJUUURRBKY-GFCCVEGCSA-N 1 0 235.346 3.631 20 0 BHADRO CC[N@H+]([C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542152227 325011851 /nfs/dbraw/zinc/01/18/51/325011851.db2.gz NUZRTJUUURRBKY-LBPRGKRZSA-N 1 0 235.346 3.631 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@H](C)Cc1ccsc1 ZINC000542155178 325011673 /nfs/dbraw/zinc/01/16/73/325011673.db2.gz FIVHYMOTWHXWDM-GFCCVEGCSA-N 1 0 237.412 3.800 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@@H](C)Cc1ccsc1 ZINC000542155179 325011443 /nfs/dbraw/zinc/01/14/43/325011443.db2.gz FIVHYMOTWHXWDM-LBPRGKRZSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@H](Nc1ccc(C)cc1C[NH+](C)C)C(C)C ZINC000542167036 325012440 /nfs/dbraw/zinc/01/24/40/325012440.db2.gz QNENJHWGQMBDPG-HNNXBMFYSA-N 1 0 248.414 3.903 20 0 BHADRO CC[C@@H](Nc1ccc(C)cc1C[NH+](C)C)C(C)C ZINC000542167037 325012217 /nfs/dbraw/zinc/01/22/17/325012217.db2.gz QNENJHWGQMBDPG-OAHLLOKOSA-N 1 0 248.414 3.903 20 0 BHADRO C[C@@H]1[C@H]([NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000542167309 325012580 /nfs/dbraw/zinc/01/25/80/325012580.db2.gz UHFKBQIAAAVJHG-APHBMKBZSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@@H]1[C@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000542167310 325012297 /nfs/dbraw/zinc/01/22/97/325012297.db2.gz UHFKBQIAAAVJHG-VBNZEHGJSA-N 1 0 241.334 3.561 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000542167608 325012134 /nfs/dbraw/zinc/01/21/34/325012134.db2.gz VYGDBUCEQFSCRV-AEGPPILISA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000542167609 325012575 /nfs/dbraw/zinc/01/25/75/325012575.db2.gz VYGDBUCEQFSCRV-BPLDGKMQSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000542167610 325012317 /nfs/dbraw/zinc/01/23/17/325012317.db2.gz VYGDBUCEQFSCRV-SNPRPXQTSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000542167611 325012252 /nfs/dbraw/zinc/01/22/52/325012252.db2.gz VYGDBUCEQFSCRV-YUELXQCFSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CC(C)(C)C ZINC000542175138 325012989 /nfs/dbraw/zinc/01/29/89/325012989.db2.gz JYTQKJOLMBQCJG-LLVKDONJSA-N 1 0 203.329 3.609 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CC(C)(C)C ZINC000542175139 325013158 /nfs/dbraw/zinc/01/31/58/325013158.db2.gz JYTQKJOLMBQCJG-NSHDSACASA-N 1 0 203.329 3.609 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CCc2ccc(Cl)cc21 ZINC000542202642 325014894 /nfs/dbraw/zinc/01/48/94/325014894.db2.gz QUYOZIZPLICYJI-AWEZNQCLSA-N 1 0 235.758 3.669 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000542202643 325015087 /nfs/dbraw/zinc/01/50/87/325015087.db2.gz QUYOZIZPLICYJI-CQSZACIVSA-N 1 0 235.758 3.669 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH+]1CCCCC1)CC2 ZINC000542208665 325015462 /nfs/dbraw/zinc/01/54/62/325015462.db2.gz IDSJDOJLICICCL-AWEZNQCLSA-N 1 0 235.758 3.813 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH+]1CCCCC1)CC2 ZINC000542208667 325015643 /nfs/dbraw/zinc/01/56/43/325015643.db2.gz IDSJDOJLICICCL-CQSZACIVSA-N 1 0 235.758 3.813 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)C2CCCC2)cc1 ZINC000542208883 325015778 /nfs/dbraw/zinc/01/57/78/325015778.db2.gz GOGSEWWNFUOQAC-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccc(CCC[N@H+]2CC=C(C)CC2)cc1 ZINC000542208914 325015479 /nfs/dbraw/zinc/01/54/79/325015479.db2.gz UWDFKTVPNUOSKX-UHFFFAOYSA-N 1 0 229.367 3.580 20 0 BHADRO Clc1ccccc1CCC[NH+]1C2CCC1CC2 ZINC000542210310 325015551 /nfs/dbraw/zinc/01/55/51/325015551.db2.gz ULVUMYVGMWCXTA-UHFFFAOYSA-N 1 0 249.785 3.899 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)CC(C)(C)C1)C(F)(F)F ZINC000542251999 325017760 /nfs/dbraw/zinc/01/77/60/325017760.db2.gz FSTJJVXPHQXHSU-NXEZZACHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000542252000 325017627 /nfs/dbraw/zinc/01/76/27/325017627.db2.gz FSTJJVXPHQXHSU-UWVGGRQHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@H](C[N@@H+]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000542252002 325017813 /nfs/dbraw/zinc/01/78/13/325017813.db2.gz FSTJJVXPHQXHSU-VHSXEESVSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@H](C)CC(C)(C)C1)C(F)(F)F ZINC000542252004 325017963 /nfs/dbraw/zinc/01/79/63/325017963.db2.gz FSTJJVXPHQXHSU-ZJUUUORDSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCCc1ccccc1Cl ZINC000542276986 325018657 /nfs/dbraw/zinc/01/86/57/325018657.db2.gz GAOJNVPEXATWOJ-GFCCVEGCSA-N 1 0 237.774 3.757 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCCc1ccccc1Cl ZINC000542276987 325018846 /nfs/dbraw/zinc/01/88/46/325018846.db2.gz GAOJNVPEXATWOJ-LBPRGKRZSA-N 1 0 237.774 3.757 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000542315757 325020734 /nfs/dbraw/zinc/02/07/34/325020734.db2.gz JGPNYRCZSVEVKJ-HNNXBMFYSA-N 1 0 229.367 3.727 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000542315758 325021343 /nfs/dbraw/zinc/02/13/43/325021343.db2.gz JGPNYRCZSVEVKJ-OAHLLOKOSA-N 1 0 229.367 3.727 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC000542316378 325020802 /nfs/dbraw/zinc/02/08/02/325020802.db2.gz TZRNYOJNLWBZIB-INIZCTEOSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC000542316379 325020992 /nfs/dbraw/zinc/02/09/92/325020992.db2.gz TZRNYOJNLWBZIB-MRXNPFEDSA-N 1 0 229.367 3.584 20 0 BHADRO CCCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000542317035 325020717 /nfs/dbraw/zinc/02/07/17/325020717.db2.gz ORMFOXHIKUCVKB-HNNXBMFYSA-N 1 0 217.356 3.584 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000542317036 325021170 /nfs/dbraw/zinc/02/11/70/325021170.db2.gz ORMFOXHIKUCVKB-OAHLLOKOSA-N 1 0 217.356 3.584 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C(C)(C)C)C1)C(F)(F)F ZINC000542317437 325021146 /nfs/dbraw/zinc/02/11/46/325021146.db2.gz XUARCLBWUKDZAG-NXEZZACHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C(C)(C)C)C1)C(F)(F)F ZINC000542317438 325021016 /nfs/dbraw/zinc/02/10/16/325021016.db2.gz XUARCLBWUKDZAG-UWVGGRQHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C(C)(C)C)C1)C(F)(F)F ZINC000542317439 325021262 /nfs/dbraw/zinc/02/12/62/325021262.db2.gz XUARCLBWUKDZAG-VHSXEESVSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C(C)(C)C)C1)C(F)(F)F ZINC000542317440 325021090 /nfs/dbraw/zinc/02/10/90/325021090.db2.gz XUARCLBWUKDZAG-ZJUUUORDSA-N 1 0 237.309 3.553 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542317821 325021213 /nfs/dbraw/zinc/02/12/13/325021213.db2.gz IJEIBKCDMPCQGH-HNNXBMFYSA-N 1 0 249.423 3.537 20 0 BHADRO CSCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542317828 325020855 /nfs/dbraw/zinc/02/08/55/325020855.db2.gz IJEIBKCDMPCQGH-OAHLLOKOSA-N 1 0 249.423 3.537 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000542317867 325020876 /nfs/dbraw/zinc/02/08/76/325020876.db2.gz NUWIZYOBPHJHFC-HNNXBMFYSA-N 1 0 229.367 3.503 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000542317868 325021218 /nfs/dbraw/zinc/02/12/18/325021218.db2.gz NUWIZYOBPHJHFC-OAHLLOKOSA-N 1 0 229.367 3.503 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC000542319781 325020813 /nfs/dbraw/zinc/02/08/13/325020813.db2.gz KDYYZEWFSWNVFX-INIZCTEOSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC000542319782 325021140 /nfs/dbraw/zinc/02/11/40/325021140.db2.gz KDYYZEWFSWNVFX-MRXNPFEDSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000542320642 325021163 /nfs/dbraw/zinc/02/11/63/325021163.db2.gz SQEPICJJOLYINX-AWEZNQCLSA-N 1 0 217.356 3.501 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000542320643 325020951 /nfs/dbraw/zinc/02/09/51/325020951.db2.gz SQEPICJJOLYINX-CQSZACIVSA-N 1 0 217.356 3.501 20 0 BHADRO COc1cccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1 ZINC000542322638 325021315 /nfs/dbraw/zinc/02/13/15/325021315.db2.gz VGKUGNYHFOLIJD-AWEZNQCLSA-N 1 0 247.382 3.563 20 0 BHADRO COc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC000542322639 325021290 /nfs/dbraw/zinc/02/12/90/325021290.db2.gz VGKUGNYHFOLIJD-CQSZACIVSA-N 1 0 247.382 3.563 20 0 BHADRO CCSCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000542323683 325021680 /nfs/dbraw/zinc/02/16/80/325021680.db2.gz XPSVOGMOJIOERF-HNNXBMFYSA-N 1 0 249.423 3.537 20 0 BHADRO CCSCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000542323684 325021739 /nfs/dbraw/zinc/02/17/39/325021739.db2.gz XPSVOGMOJIOERF-OAHLLOKOSA-N 1 0 249.423 3.537 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCC(F)(F)F ZINC000542464742 325029097 /nfs/dbraw/zinc/02/90/97/325029097.db2.gz HGFXNWWLPDNMHH-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)CCC(F)(F)F ZINC000542464743 325029274 /nfs/dbraw/zinc/02/92/74/325029274.db2.gz HGFXNWWLPDNMHH-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)CCC(F)(F)F ZINC000542464744 325029068 /nfs/dbraw/zinc/02/90/68/325029068.db2.gz HGFXNWWLPDNMHH-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)CCC(F)(F)F ZINC000542464745 325028736 /nfs/dbraw/zinc/02/87/36/325028736.db2.gz HGFXNWWLPDNMHH-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO CCCC[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000542466416 325029002 /nfs/dbraw/zinc/02/90/02/325029002.db2.gz FLQXIGBUDCCNRX-UHFFFAOYSA-N 1 0 242.366 3.775 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(F)F)CC1 ZINC000542466440 325027382 /nfs/dbraw/zinc/02/73/82/325027382.db2.gz FXTYIXZUSBKXIC-AAEUAGOBSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(F)F)CC1 ZINC000542466443 325027429 /nfs/dbraw/zinc/02/74/29/325027429.db2.gz FXTYIXZUSBKXIC-DGCLKSJQSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(F)F)CC1 ZINC000542466444 325027716 /nfs/dbraw/zinc/02/77/16/325027716.db2.gz FXTYIXZUSBKXIC-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(F)F)CC1 ZINC000542466445 325027790 /nfs/dbraw/zinc/02/77/90/325027790.db2.gz FXTYIXZUSBKXIC-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000542493959 325031437 /nfs/dbraw/zinc/03/14/37/325031437.db2.gz GNNCWYACBIKWOJ-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000542493961 325031009 /nfs/dbraw/zinc/03/10/09/325031009.db2.gz GNNCWYACBIKWOJ-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000542493964 325031360 /nfs/dbraw/zinc/03/13/60/325031360.db2.gz GNNCWYACBIKWOJ-VOAKCMCISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000542493967 325031330 /nfs/dbraw/zinc/03/13/30/325031330.db2.gz GNNCWYACBIKWOJ-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO CC1CCC(C[N@H+](C)Cc2cccc(O)c2)CC1 ZINC000542507825 325031551 /nfs/dbraw/zinc/03/15/51/325031551.db2.gz NHBLLOUYJGOTTC-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)C[NH+](CCCc1ccncc1)CC(C)C ZINC000542516548 325032465 /nfs/dbraw/zinc/03/24/65/325032465.db2.gz NZYCABVKDFOYFL-UHFFFAOYSA-N 1 0 248.414 3.628 20 0 BHADRO CCC1(C[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000542516721 325032437 /nfs/dbraw/zinc/03/24/37/325032437.db2.gz BLTHEVCGTNUVOU-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO CCC1(C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000542516722 325032759 /nfs/dbraw/zinc/03/27/59/325032759.db2.gz BLTHEVCGTNUVOU-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO CC(C)[N@@H+](C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000542517547 325032256 /nfs/dbraw/zinc/03/22/56/325032256.db2.gz FQIIGGXDSVWKMZ-AWEZNQCLSA-N 1 0 231.383 3.738 20 0 BHADRO CC(C)[N@@H+](C[C@H](C)Cc1ccccc1)C1CC1 ZINC000542517549 325032685 /nfs/dbraw/zinc/03/26/85/325032685.db2.gz FQIIGGXDSVWKMZ-CQSZACIVSA-N 1 0 231.383 3.738 20 0 BHADRO C[C@H](C[NH2+]CCC1=CCCC1)Cc1ccccc1 ZINC000542517565 325032551 /nfs/dbraw/zinc/03/25/51/325032551.db2.gz FPUUQNPPPBXBJN-HNNXBMFYSA-N 1 0 243.394 3.955 20 0 BHADRO C[C@@H](C[NH2+]CCC1=CCCC1)Cc1ccccc1 ZINC000542517571 323285030 /nfs/dbraw/zinc/28/50/30/323285030.db2.gz FPUUQNPPPBXBJN-OAHLLOKOSA-N 1 0 243.394 3.955 20 0 BHADRO C[C@H](C[NH2+]C1(C)CCCC1)Cc1ccccc1 ZINC000542517759 323285189 /nfs/dbraw/zinc/28/51/89/323285189.db2.gz AEGKYVIBBWIASR-AWEZNQCLSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CCCC1)Cc1ccccc1 ZINC000542517764 323285741 /nfs/dbraw/zinc/28/57/41/323285741.db2.gz AEGKYVIBBWIASR-CQSZACIVSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H](C[NH2+]CC1CCCC1)Cc1ccccc1 ZINC000542518226 325032760 /nfs/dbraw/zinc/03/27/60/325032760.db2.gz UVJGEBZUEXLRPJ-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCC1)Cc1ccccc1 ZINC000542518227 325032768 /nfs/dbraw/zinc/03/27/68/325032768.db2.gz UVJGEBZUEXLRPJ-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO CC[N@H+](C[C@@H](C)Cc1ccccc1)C(C)C ZINC000542518414 325032366 /nfs/dbraw/zinc/03/23/66/325032366.db2.gz SRNKNMWIFHYRQI-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC[N@H+](C[C@H](C)Cc1ccccc1)C(C)C ZINC000542518418 325032754 /nfs/dbraw/zinc/03/27/54/325032754.db2.gz SRNKNMWIFHYRQI-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CCC[N@H+](CC)C[C@@H](C)Cc1ccccc1 ZINC000542518501 325032595 /nfs/dbraw/zinc/03/25/95/325032595.db2.gz SSXIMRUJINXGKF-AWEZNQCLSA-N 1 0 219.372 3.597 20 0 BHADRO CCC[N@H+](CC)C[C@H](C)Cc1ccccc1 ZINC000542518503 325032572 /nfs/dbraw/zinc/03/25/72/325032572.db2.gz SSXIMRUJINXGKF-CQSZACIVSA-N 1 0 219.372 3.597 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1c(F)cccc1F ZINC000542521904 325033212 /nfs/dbraw/zinc/03/32/12/325033212.db2.gz QLQYHSTWZRNOQC-SECBINFHSA-N 1 0 237.293 3.558 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1c(F)cccc1F ZINC000542521908 325033061 /nfs/dbraw/zinc/03/30/61/325033061.db2.gz QLQYHSTWZRNOQC-VIFPVBQESA-N 1 0 237.293 3.558 20 0 BHADRO CCCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000542541457 325033909 /nfs/dbraw/zinc/03/39/09/325033909.db2.gz RTGMVMLOCNDKJZ-INIZCTEOSA-N 1 0 231.383 3.788 20 0 BHADRO CCCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000542541458 325033876 /nfs/dbraw/zinc/03/38/76/325033876.db2.gz RTGMVMLOCNDKJZ-MRXNPFEDSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCCc1ccccc1OC ZINC000542546116 325034974 /nfs/dbraw/zinc/03/49/74/325034974.db2.gz WOCOGRDFSYFSCU-KBPBESRZSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccccc1OC ZINC000542546121 325034691 /nfs/dbraw/zinc/03/46/91/325034691.db2.gz WOCOGRDFSYFSCU-KGLIPLIRSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccccc1OC ZINC000542546122 325034954 /nfs/dbraw/zinc/03/49/54/325034954.db2.gz WOCOGRDFSYFSCU-UONOGXRCSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccccc1OC ZINC000542546125 325034858 /nfs/dbraw/zinc/03/48/58/325034858.db2.gz WOCOGRDFSYFSCU-ZIAGYGMSSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCO1 ZINC000542565374 325035177 /nfs/dbraw/zinc/03/51/77/325035177.db2.gz QXVRLHSHUCNDBO-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCO1 ZINC000542565375 325035398 /nfs/dbraw/zinc/03/53/98/325035398.db2.gz QXVRLHSHUCNDBO-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCO1 ZINC000542565376 325035383 /nfs/dbraw/zinc/03/53/83/325035383.db2.gz QXVRLHSHUCNDBO-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCO1 ZINC000542565377 325035601 /nfs/dbraw/zinc/03/56/01/325035601.db2.gz QXVRLHSHUCNDBO-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO c1ccc(CC2([NH2+]CC3CC3)CCCC2)cc1 ZINC000542626455 325037675 /nfs/dbraw/zinc/03/76/75/325037675.db2.gz GADAUILSZCYERA-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO CC(C)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000542633429 325037777 /nfs/dbraw/zinc/03/77/77/325037777.db2.gz ROCMDXNHJDZVAO-UHFFFAOYSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647364 325038900 /nfs/dbraw/zinc/03/89/00/325038900.db2.gz DPIDWXUXGGENQS-AGIUHOORSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647370 325038860 /nfs/dbraw/zinc/03/88/60/325038860.db2.gz DPIDWXUXGGENQS-FRRDWIJNSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647372 325039107 /nfs/dbraw/zinc/03/91/07/325039107.db2.gz DPIDWXUXGGENQS-JHJVBQTASA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647373 325039054 /nfs/dbraw/zinc/03/90/54/325039054.db2.gz DPIDWXUXGGENQS-UPJWGTAASA-N 1 0 236.359 3.542 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]2C)C2CCC2)o1 ZINC000542664370 325039762 /nfs/dbraw/zinc/03/97/62/325039762.db2.gz WZAWVJIOZMPHCL-PSOPSSQASA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C)C2CCC2)o1 ZINC000542664371 325039270 /nfs/dbraw/zinc/03/92/70/325039270.db2.gz WZAWVJIOZMPHCL-RIEGTJTDSA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]2C)C2CCC2)o1 ZINC000542664449 325039668 /nfs/dbraw/zinc/03/96/68/325039668.db2.gz WZAWVJIOZMPHCL-VZJVUDMVSA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H]([NH2+]C[C@H]2C[C@H]2C)C2CCC2)o1 ZINC000542664450 325039721 /nfs/dbraw/zinc/03/97/21/325039721.db2.gz WZAWVJIOZMPHCL-WDBKCZKBSA-N 1 0 233.355 3.675 20 0 BHADRO COC1CCC(CC[NH2+][C@@H](C)CC(C)C)CC1 ZINC000542666232 325040412 /nfs/dbraw/zinc/04/04/12/325040412.db2.gz VTCFGBXDDUALRL-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(CC[NH2+][C@H](C)CC(C)C)CC1 ZINC000542666233 325040245 /nfs/dbraw/zinc/04/02/45/325040245.db2.gz VTCFGBXDDUALRL-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CCCC2)C2CCC2)o1 ZINC000542674125 325041043 /nfs/dbraw/zinc/04/10/43/325041043.db2.gz OLYHQWPAVVTDKN-HNNXBMFYSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CCCC2)C2CCC2)o1 ZINC000542674135 325041040 /nfs/dbraw/zinc/04/10/40/325041040.db2.gz OLYHQWPAVVTDKN-OAHLLOKOSA-N 1 0 233.355 3.961 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)CCc1ccncc1 ZINC000542692322 325042162 /nfs/dbraw/zinc/04/21/62/325042162.db2.gz GOPAXGSDFKIJSF-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)c2ccon2)CC1 ZINC000542700854 325042490 /nfs/dbraw/zinc/04/24/90/325042490.db2.gz XHTFYHDSJOWQJX-HIFPTAJRSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)c2ccon2)CC1 ZINC000542700861 325042066 /nfs/dbraw/zinc/04/20/66/325042066.db2.gz XHTFYHDSJOWQJX-PNESKVBLSA-N 1 0 236.359 3.540 20 0 BHADRO COC1CCC(CC[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000542707495 325043096 /nfs/dbraw/zinc/04/30/96/325043096.db2.gz MQVMYCCRGXRRRU-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO COC1CCC(CC[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000542707496 325043289 /nfs/dbraw/zinc/04/32/89/325043289.db2.gz MQVMYCCRGXRRRU-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)o1 ZINC000542709134 325043263 /nfs/dbraw/zinc/04/32/63/325043263.db2.gz JZDIGGSFMPUNQB-CYBMUJFWSA-N 1 0 221.344 3.743 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C)o1 ZINC000542709139 325043340 /nfs/dbraw/zinc/04/33/40/325043340.db2.gz JZDIGGSFMPUNQB-ZDUSSCGKSA-N 1 0 221.344 3.743 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@H](C)c2ccon2)C1 ZINC000542710061 325042978 /nfs/dbraw/zinc/04/29/78/325042978.db2.gz SILSUBGIVFJJBH-JHJVBQTASA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)c2ccon2)C1 ZINC000542710062 325043046 /nfs/dbraw/zinc/04/30/46/325043046.db2.gz SILSUBGIVFJJBH-UPJWGTAASA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)c2ccon2)C1 ZINC000542710063 325043373 /nfs/dbraw/zinc/04/33/73/325043373.db2.gz SILSUBGIVFJJBH-XQQFMLRXSA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)c2ccon2)C1 ZINC000542710064 325043112 /nfs/dbraw/zinc/04/31/12/325043112.db2.gz SILSUBGIVFJJBH-YNEHKIRRSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719283 325043960 /nfs/dbraw/zinc/04/39/60/325043960.db2.gz GQUHWXPRWNZGPU-NEPJUHHUSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719284 325043762 /nfs/dbraw/zinc/04/37/62/325043762.db2.gz GQUHWXPRWNZGPU-NWDGAFQWSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719285 325043675 /nfs/dbraw/zinc/04/36/75/325043675.db2.gz GQUHWXPRWNZGPU-RYUDHWBXSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719286 325043730 /nfs/dbraw/zinc/04/37/30/325043730.db2.gz GQUHWXPRWNZGPU-VXGBXAGGSA-N 1 0 236.359 3.542 20 0 BHADRO CSc1ccccc1C[NH+]1C2CCC1CC2 ZINC000542824030 325053759 /nfs/dbraw/zinc/05/37/59/325053759.db2.gz BERCYWRJJNNKLA-UHFFFAOYSA-N 1 0 233.380 3.535 20 0 BHADRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(C)C)[C@@H]2C ZINC000542853339 325058001 /nfs/dbraw/zinc/05/80/01/325058001.db2.gz HWROFIPATAYAKV-CHWSQXEVSA-N 1 0 247.382 3.659 20 0 BHADRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(C)C)[C@H]2C ZINC000542853358 325057987 /nfs/dbraw/zinc/05/79/87/325057987.db2.gz HWROFIPATAYAKV-OLZOCXBDSA-N 1 0 247.382 3.659 20 0 BHADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(C)C)[C@@H]2C ZINC000542853360 325058208 /nfs/dbraw/zinc/05/82/08/325058208.db2.gz HWROFIPATAYAKV-QWHCGFSZSA-N 1 0 247.382 3.659 20 0 BHADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(C)C)[C@H]2C ZINC000542853362 325058188 /nfs/dbraw/zinc/05/81/88/325058188.db2.gz HWROFIPATAYAKV-STQMWFEESA-N 1 0 247.382 3.659 20 0 BHADRO C[C@H]1CC[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000542854406 325058064 /nfs/dbraw/zinc/05/80/64/325058064.db2.gz QZBRZZDZGFNONC-GXTWGEPZSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@H]1CC[C@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000542854407 325058027 /nfs/dbraw/zinc/05/80/27/325058027.db2.gz QZBRZZDZGFNONC-JSGCOSHPSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000542854408 325057993 /nfs/dbraw/zinc/05/79/93/325057993.db2.gz QZBRZZDZGFNONC-OCCSQVGLSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC000542854409 325058390 /nfs/dbraw/zinc/05/83/90/325058390.db2.gz QZBRZZDZGFNONC-TZMCWYRMSA-N 1 0 209.377 3.545 20 0 BHADRO CC[N@H+](C[C@H]1CCc2ccccc2C1)C(C)C ZINC000542915792 325062326 /nfs/dbraw/zinc/06/23/26/325062326.db2.gz SELQCCROXTWFTI-AWEZNQCLSA-N 1 0 231.383 3.522 20 0 BHADRO CC[N@H+](C[C@@H]1CCc2ccccc2C1)C(C)C ZINC000542915793 325062034 /nfs/dbraw/zinc/06/20/34/325062034.db2.gz SELQCCROXTWFTI-CQSZACIVSA-N 1 0 231.383 3.522 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000542916092 325062435 /nfs/dbraw/zinc/06/24/35/325062435.db2.gz WCRUKJZTWSGXLL-KBPBESRZSA-N 1 0 231.383 3.522 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000542916093 325062201 /nfs/dbraw/zinc/06/22/01/325062201.db2.gz WCRUKJZTWSGXLL-KGLIPLIRSA-N 1 0 231.383 3.522 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000542916095 325062332 /nfs/dbraw/zinc/06/23/32/325062332.db2.gz WCRUKJZTWSGXLL-UONOGXRCSA-N 1 0 231.383 3.522 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000542916096 325061911 /nfs/dbraw/zinc/06/19/11/325061911.db2.gz WCRUKJZTWSGXLL-ZIAGYGMSSA-N 1 0 231.383 3.522 20 0 BHADRO CC[N@H+](C[C@H]1CCc2ccccc2C1)C1CCC1 ZINC000542916255 325062541 /nfs/dbraw/zinc/06/25/41/325062541.db2.gz ZVJHVSVDQBUURQ-AWEZNQCLSA-N 1 0 243.394 3.666 20 0 BHADRO CC[N@H+](C[C@@H]1CCc2ccccc2C1)C1CCC1 ZINC000542916256 325062383 /nfs/dbraw/zinc/06/23/83/325062383.db2.gz ZVJHVSVDQBUURQ-CQSZACIVSA-N 1 0 243.394 3.666 20 0 BHADRO CCCC[N@H+](C[C@@H](C)OC)[C@@H](C)c1ccccc1 ZINC000542933267 325064071 /nfs/dbraw/zinc/06/40/71/325064071.db2.gz ZVORCRHZYHEUNJ-CABCVRRESA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[N@H+](C[C@H](C)OC)[C@@H](C)c1ccccc1 ZINC000542933272 325064108 /nfs/dbraw/zinc/06/41/08/325064108.db2.gz ZVORCRHZYHEUNJ-GJZGRUSLSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[N@H+](C[C@@H](C)OC)[C@H](C)c1ccccc1 ZINC000542933274 325064325 /nfs/dbraw/zinc/06/43/25/325064325.db2.gz ZVORCRHZYHEUNJ-HUUCEWRRSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[N@H+](C[C@H](C)OC)[C@H](C)c1ccccc1 ZINC000542933276 325064488 /nfs/dbraw/zinc/06/44/88/325064488.db2.gz ZVORCRHZYHEUNJ-LSDHHAIUSA-N 1 0 249.398 3.885 20 0 BHADRO CCOC[C@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000542948890 325064994 /nfs/dbraw/zinc/06/49/94/325064994.db2.gz GBBXACAEDUXDLM-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCOC[C@@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000542948892 325065204 /nfs/dbraw/zinc/06/52/04/325065204.db2.gz GBBXACAEDUXDLM-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)Cc1cccn1C ZINC000542949277 325065179 /nfs/dbraw/zinc/06/51/79/325065179.db2.gz SWXVJVIHOVBBEL-UHFFFAOYSA-N 1 0 236.403 3.673 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)CC1CCOCC1 ZINC000542949392 325064963 /nfs/dbraw/zinc/06/49/63/325064963.db2.gz VBLJWKZBTYFQJQ-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)(CC)C[NH+]1CCC(COC)CC1 ZINC000542949697 325064954 /nfs/dbraw/zinc/06/49/54/325064954.db2.gz QISMKNIVNNVYLV-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21)C(F)(F)F ZINC000542970194 325065862 /nfs/dbraw/zinc/06/58/62/325065862.db2.gz SGVQDPHIQPERHO-KXNHARMFSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H](C)[C@@H]2CCCC[C@H]21)C(F)(F)F ZINC000542970195 325065655 /nfs/dbraw/zinc/06/56/55/325065655.db2.gz SGVQDPHIQPERHO-NOOOWODRSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H](C)[C@@H]2CCCC[C@@H]21)C(F)(F)F ZINC000542970196 325065684 /nfs/dbraw/zinc/06/56/84/325065684.db2.gz SGVQDPHIQPERHO-RHYQMDGZSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H](C[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@H]21)C(F)(F)F ZINC000542970197 325065942 /nfs/dbraw/zinc/06/59/42/325065942.db2.gz SGVQDPHIQPERHO-WRWGMCAJSA-N 1 0 249.320 3.695 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000543019878 325067467 /nfs/dbraw/zinc/06/74/67/325067467.db2.gz SSCDIVQGKZZDPP-AWEZNQCLSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000543019879 325067294 /nfs/dbraw/zinc/06/72/94/325067294.db2.gz SSCDIVQGKZZDPP-CQSZACIVSA-N 1 0 237.412 3.801 20 0 BHADRO c1cc(CCC[NH+]2CCCCCC2)cs1 ZINC000543020047 325067436 /nfs/dbraw/zinc/06/74/36/325067436.db2.gz FLXNXFBSHFXAMM-UHFFFAOYSA-N 1 0 223.385 3.557 20 0 BHADRO CC[N@H+](CCCc1ccsc1)CC(C)C ZINC000543020116 325067066 /nfs/dbraw/zinc/06/70/66/325067066.db2.gz JLXGTOCPAYEEOG-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@H]2C2CCC2)cs1 ZINC000543029040 325068046 /nfs/dbraw/zinc/06/80/46/325068046.db2.gz GXNHDJDHKRJTDD-HNNXBMFYSA-N 1 0 249.423 3.945 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@@H]2C2CCC2)cs1 ZINC000543029041 325068034 /nfs/dbraw/zinc/06/80/34/325068034.db2.gz GXNHDJDHKRJTDD-OAHLLOKOSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCCc2ccsc2)C1 ZINC000543032703 325067807 /nfs/dbraw/zinc/06/78/07/325067807.db2.gz XRTIPECRAOUGCQ-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCCc2ccsc2)C1 ZINC000543032705 325067876 /nfs/dbraw/zinc/06/78/76/325067876.db2.gz XRTIPECRAOUGCQ-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCc1ccsc1 ZINC000543032706 325068102 /nfs/dbraw/zinc/06/81/02/325068102.db2.gz XRTIPECRAOUGCQ-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCCc2ccsc2)C1 ZINC000543032708 325068235 /nfs/dbraw/zinc/06/82/35/325068235.db2.gz XRTIPECRAOUGCQ-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[N@H+](CCCc1ccsc1)C1CCC1 ZINC000543032861 325068109 /nfs/dbraw/zinc/06/81/09/325068109.db2.gz YPZJAGBOJLWHCM-UHFFFAOYSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH+]1C2CCC1CC2 ZINC000543058230 325068998 /nfs/dbraw/zinc/06/89/98/325068998.db2.gz KDDNMEPNTKZTPA-JQRITLKVSA-N 1 0 247.357 3.774 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH+]1C2CCC1CC2 ZINC000543058234 325068466 /nfs/dbraw/zinc/06/84/66/325068466.db2.gz KDDNMEPNTKZTPA-UWTIGNOOSA-N 1 0 247.357 3.774 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000543058781 325068991 /nfs/dbraw/zinc/06/89/91/325068991.db2.gz ZJKJLXKMQCUVMC-NEPJUHHUSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000543058788 325069630 /nfs/dbraw/zinc/06/96/30/325069630.db2.gz ZJKJLXKMQCUVMC-NWDGAFQWSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000543058790 325069475 /nfs/dbraw/zinc/06/94/75/325069475.db2.gz ZJKJLXKMQCUVMC-RYUDHWBXSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000543058791 325069376 /nfs/dbraw/zinc/06/93/76/325069376.db2.gz ZJKJLXKMQCUVMC-VXGBXAGGSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H]1c2ccccc2C[N@@H+]1C1CCCC1 ZINC000543064054 325069783 /nfs/dbraw/zinc/06/97/83/325069783.db2.gz WFSYRDKHDWSHBB-LLVKDONJSA-N 1 0 201.313 3.506 20 0 BHADRO C[C@H]1c2ccccc2C[N@@H+]1C1CCCC1 ZINC000543064060 325069807 /nfs/dbraw/zinc/06/98/07/325069807.db2.gz WFSYRDKHDWSHBB-NSHDSACASA-N 1 0 201.313 3.506 20 0 BHADRO COc1ccccc1C[NH2+][C@@H](C)CCC=C(C)C ZINC000543071307 325069613 /nfs/dbraw/zinc/06/96/13/325069613.db2.gz BGSHVTNKWGUWJT-AWEZNQCLSA-N 1 0 247.382 3.920 20 0 BHADRO COc1ccccc1C[NH2+][C@H](C)CCC=C(C)C ZINC000543071309 325069608 /nfs/dbraw/zinc/06/96/08/325069608.db2.gz BGSHVTNKWGUWJT-CQSZACIVSA-N 1 0 247.382 3.920 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000543073736 325069669 /nfs/dbraw/zinc/06/96/69/325069669.db2.gz DBJGUMNZTQHNDP-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000543073737 325069772 /nfs/dbraw/zinc/06/97/72/325069772.db2.gz DBJGUMNZTQHNDP-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000543073738 325069640 /nfs/dbraw/zinc/06/96/40/325069640.db2.gz DBJGUMNZTQHNDP-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCC[C@H]1OC ZINC000543073739 325069412 /nfs/dbraw/zinc/06/94/12/325069412.db2.gz DBJGUMNZTQHNDP-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)Cc1cscn1 ZINC000543079345 325070478 /nfs/dbraw/zinc/07/04/78/325070478.db2.gz HDAQZSPFRBOLPP-UHFFFAOYSA-N 1 0 240.416 3.791 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C(C1CC1)C1CC1 ZINC000543079932 325070386 /nfs/dbraw/zinc/07/03/86/325070386.db2.gz OVUVQYPDLLFFPZ-LLVKDONJSA-N 1 0 249.423 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C(C1CC1)C1CC1 ZINC000543079933 325070348 /nfs/dbraw/zinc/07/03/48/325070348.db2.gz OVUVQYPDLLFFPZ-NSHDSACASA-N 1 0 249.423 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000543080231 325070510 /nfs/dbraw/zinc/07/05/10/325070510.db2.gz WIEAKCAWJMRQPU-NEPJUHHUSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H]([N@@H+](C)[C@@H](C)Cc1ccsc1)C1(C)CC1 ZINC000543080233 325070210 /nfs/dbraw/zinc/07/02/10/325070210.db2.gz WIEAKCAWJMRQPU-NWDGAFQWSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000543080235 325070289 /nfs/dbraw/zinc/07/02/89/325070289.db2.gz WIEAKCAWJMRQPU-RYUDHWBXSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)[C@H](C)C1(C)CC1 ZINC000543080237 325070101 /nfs/dbraw/zinc/07/01/01/325070101.db2.gz WIEAKCAWJMRQPU-VXGBXAGGSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000543080368 325070280 /nfs/dbraw/zinc/07/02/80/325070280.db2.gz WQIYDLIXZXCAJZ-AGIUHOORSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000543080369 325070237 /nfs/dbraw/zinc/07/02/37/325070237.db2.gz WQIYDLIXZXCAJZ-FRRDWIJNSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000543080370 325070649 /nfs/dbraw/zinc/07/06/49/325070649.db2.gz WQIYDLIXZXCAJZ-JHJVBQTASA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000543080371 325070506 /nfs/dbraw/zinc/07/05/06/325070506.db2.gz WQIYDLIXZXCAJZ-UPJWGTAASA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH+]1CCCCC1 ZINC000543081826 325070611 /nfs/dbraw/zinc/07/06/11/325070611.db2.gz NKQUUGAQKRNPSU-CYBMUJFWSA-N 1 0 235.346 3.633 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH+]1CCCCC1 ZINC000543081827 325070093 /nfs/dbraw/zinc/07/00/93/325070093.db2.gz NKQUUGAQKRNPSU-ZDUSSCGKSA-N 1 0 235.346 3.633 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000543082845 325070514 /nfs/dbraw/zinc/07/05/14/325070514.db2.gz HKQOIWQTXOJVPT-CYBMUJFWSA-N 1 0 237.362 3.735 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000543082846 325070109 /nfs/dbraw/zinc/07/01/09/325070109.db2.gz HKQOIWQTXOJVPT-ZDUSSCGKSA-N 1 0 237.362 3.735 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCCCOC(C)C ZINC000543083067 325070356 /nfs/dbraw/zinc/07/03/56/325070356.db2.gz XFFUXMSKCWYEFE-HNNXBMFYSA-N 1 0 241.419 3.916 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCCCOC(C)C ZINC000543083068 325070571 /nfs/dbraw/zinc/07/05/71/325070571.db2.gz XFFUXMSKCWYEFE-OAHLLOKOSA-N 1 0 241.419 3.916 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000543093083 325071093 /nfs/dbraw/zinc/07/10/93/325071093.db2.gz MGQMAZQUZOFPMD-GXTWGEPZSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000543093084 325070998 /nfs/dbraw/zinc/07/09/98/325070998.db2.gz MGQMAZQUZOFPMD-JSGCOSHPSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@]1(C)CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000543093085 325071098 /nfs/dbraw/zinc/07/10/98/325071098.db2.gz MGQMAZQUZOFPMD-OCCSQVGLSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@]1(C)CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000543093086 325071110 /nfs/dbraw/zinc/07/11/10/325071110.db2.gz MGQMAZQUZOFPMD-TZMCWYRMSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+](C)CCC1CC1 ZINC000543094390 325071043 /nfs/dbraw/zinc/07/10/43/325071043.db2.gz KAPHNXCLKAGSCR-CYBMUJFWSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)CCC1CC1 ZINC000543094391 325071123 /nfs/dbraw/zinc/07/11/23/325071123.db2.gz KAPHNXCLKAGSCR-ZDUSSCGKSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC1(C)C ZINC000543094985 325069245 /nfs/dbraw/zinc/06/92/45/325069245.db2.gz IMTJUTBILHUCTE-NEPJUHHUSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1C[C@@H](C)CC1(C)C ZINC000543094987 325069563 /nfs/dbraw/zinc/06/95/63/325069563.db2.gz IMTJUTBILHUCTE-NWDGAFQWSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1C[C@@H](C)CC1(C)C ZINC000543094989 325069576 /nfs/dbraw/zinc/06/95/76/325069576.db2.gz IMTJUTBILHUCTE-RYUDHWBXSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1C[C@H](C)CC1(C)C ZINC000543094990 325069549 /nfs/dbraw/zinc/06/95/49/325069549.db2.gz IMTJUTBILHUCTE-VXGBXAGGSA-N 1 0 237.412 3.800 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@@H](CC)C(C)C ZINC000543095201 325071314 /nfs/dbraw/zinc/07/13/14/325071314.db2.gz IVRQOYZWSYFXQM-HNNXBMFYSA-N 1 0 249.398 3.652 20 0 BHADRO CCOc1ccccc1CC[NH2+][C@H](CC)C(C)C ZINC000543095203 325070905 /nfs/dbraw/zinc/07/09/05/325070905.db2.gz IVRQOYZWSYFXQM-OAHLLOKOSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000543096354 325071015 /nfs/dbraw/zinc/07/10/15/325071015.db2.gz XIFCFGLYMTVZLA-MBNYWOFBSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000543096356 325071164 /nfs/dbraw/zinc/07/11/64/325071164.db2.gz XIFCFGLYMTVZLA-OUCADQQQSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000543096357 325071211 /nfs/dbraw/zinc/07/12/11/325071211.db2.gz XIFCFGLYMTVZLA-SGMGOOAPSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000543096358 325070958 /nfs/dbraw/zinc/07/09/58/325070958.db2.gz XIFCFGLYMTVZLA-YRGRVCCFSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000543097730 325071698 /nfs/dbraw/zinc/07/16/98/325071698.db2.gz VXKBGNNJBCLOCA-GHMZBOCLSA-N 1 0 245.370 3.728 20 0 BHADRO CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000543097731 325071794 /nfs/dbraw/zinc/07/17/94/325071794.db2.gz VXKBGNNJBCLOCA-MNOVXSKESA-N 1 0 245.370 3.728 20 0 BHADRO CC[C@H](C)[C@H](C)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000543097732 325071842 /nfs/dbraw/zinc/07/18/42/325071842.db2.gz VXKBGNNJBCLOCA-QWRGUYRKSA-N 1 0 245.370 3.728 20 0 BHADRO CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000543097733 325071949 /nfs/dbraw/zinc/07/19/49/325071949.db2.gz VXKBGNNJBCLOCA-WDEREUQCSA-N 1 0 245.370 3.728 20 0 BHADRO CCC(C)(C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000543105941 325071894 /nfs/dbraw/zinc/07/18/94/325071894.db2.gz XAWAFSFIGWSMJJ-GFCCVEGCSA-N 1 0 237.362 3.925 20 0 BHADRO CCC(C)(C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000543105948 325071918 /nfs/dbraw/zinc/07/19/18/325071918.db2.gz XAWAFSFIGWSMJJ-LBPRGKRZSA-N 1 0 237.362 3.925 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@H]2CCCC[C@H]12 ZINC000543110490 325072626 /nfs/dbraw/zinc/07/26/26/325072626.db2.gz DXDINBIZDOLYIG-BNOWGMLFSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCC[C@H]21 ZINC000543110491 325072652 /nfs/dbraw/zinc/07/26/52/325072652.db2.gz DXDINBIZDOLYIG-KWCYVHTRSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCC[C@@H]21 ZINC000543110492 325072494 /nfs/dbraw/zinc/07/24/94/325072494.db2.gz DXDINBIZDOLYIG-MRVWCRGKSA-N 1 0 235.396 3.759 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)[C@H]2CCCC[C@@H]12 ZINC000543110493 325072562 /nfs/dbraw/zinc/07/25/62/325072562.db2.gz DXDINBIZDOLYIG-XBFCOCLRSA-N 1 0 235.396 3.759 20 0 BHADRO Cc1ccc(CCC[N@@H+](C(C)C)C2CC2)cc1 ZINC000543130408 325073902 /nfs/dbraw/zinc/07/39/02/325073902.db2.gz MPJACKXAZIXSET-UHFFFAOYSA-N 1 0 231.383 3.800 20 0 BHADRO Clc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3CCC[C@@H]31)CC2 ZINC000543138808 325073795 /nfs/dbraw/zinc/07/37/95/325073795.db2.gz JIMXOTMIIBVHBA-BYCMXARLSA-N 1 0 247.769 3.812 20 0 BHADRO Clc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3CCC[C@H]31)CC2 ZINC000543138809 325073827 /nfs/dbraw/zinc/07/38/27/325073827.db2.gz JIMXOTMIIBVHBA-KCPJHIHWSA-N 1 0 247.769 3.812 20 0 BHADRO Clc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H]3CCC[C@H]31)CC2 ZINC000543138810 325073597 /nfs/dbraw/zinc/07/35/97/325073597.db2.gz JIMXOTMIIBVHBA-NILFDRSVSA-N 1 0 247.769 3.812 20 0 BHADRO Clc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]31)CC2 ZINC000543138811 325073877 /nfs/dbraw/zinc/07/38/77/325073877.db2.gz JIMXOTMIIBVHBA-TUKIKUTGSA-N 1 0 247.769 3.812 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCc1cccc(F)c1F ZINC000543139036 325073577 /nfs/dbraw/zinc/07/35/77/325073577.db2.gz QENUOYRCGJWKRG-LLVKDONJSA-N 1 0 241.325 3.628 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCc1cccc(F)c1F ZINC000543139038 325073858 /nfs/dbraw/zinc/07/38/58/325073858.db2.gz QENUOYRCGJWKRG-NSHDSACASA-N 1 0 241.325 3.628 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)CCC2CC2)cc1 ZINC000543139979 325073936 /nfs/dbraw/zinc/07/39/36/325073936.db2.gz GXZRNXDRBYZHEA-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH+]1C3CCC1CC3)CC2 ZINC000543140185 325073835 /nfs/dbraw/zinc/07/38/35/325073835.db2.gz UQMSBZJKGWKOKL-PIMMBPRGSA-N 1 0 247.769 3.954 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH+]1C3CCC1CC3)CC2 ZINC000543140186 325073867 /nfs/dbraw/zinc/07/38/67/325073867.db2.gz UQMSBZJKGWKOKL-SSDMNJCBSA-N 1 0 247.769 3.954 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000543205828 325077232 /nfs/dbraw/zinc/07/72/32/325077232.db2.gz HNRGQZLUEGCMHF-HZMBPMFUSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000543205841 325077281 /nfs/dbraw/zinc/07/72/81/325077281.db2.gz HNRGQZLUEGCMHF-IINYFYTJSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000543205843 325076838 /nfs/dbraw/zinc/07/68/38/325076838.db2.gz HNRGQZLUEGCMHF-QMTHXVAHSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000543205845 325076924 /nfs/dbraw/zinc/07/69/24/325076924.db2.gz HNRGQZLUEGCMHF-YGRLFVJLSA-N 1 0 235.758 3.812 20 0 BHADRO Cc1ccc(CCC[N@@H+]2CCC23CCC3)cc1 ZINC000543206777 325076889 /nfs/dbraw/zinc/07/68/89/325076889.db2.gz AVMZRFCDMCAKMK-UHFFFAOYSA-N 1 0 229.367 3.556 20 0 BHADRO C[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000543208726 325077291 /nfs/dbraw/zinc/07/72/91/325077291.db2.gz SUYSKLKHALRGJK-GFCCVEGCSA-N 1 0 237.774 3.614 20 0 BHADRO C[C@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000543208728 325077271 /nfs/dbraw/zinc/07/72/71/325077271.db2.gz SUYSKLKHALRGJK-LBPRGKRZSA-N 1 0 237.774 3.614 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CC[C@H]1CCOC1 ZINC000543226250 325077821 /nfs/dbraw/zinc/07/78/21/325077821.db2.gz BHHPXVPILYYLFR-CABCVRRESA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CC[C@H]1CCOC1 ZINC000543226251 325077918 /nfs/dbraw/zinc/07/79/18/325077918.db2.gz BHHPXVPILYYLFR-GJZGRUSLSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC000543226253 325077657 /nfs/dbraw/zinc/07/76/57/325077657.db2.gz BHHPXVPILYYLFR-HUUCEWRRSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC000543226254 325077554 /nfs/dbraw/zinc/07/75/54/325077554.db2.gz BHHPXVPILYYLFR-LSDHHAIUSA-N 1 0 241.419 3.609 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000543233299 325077807 /nfs/dbraw/zinc/07/78/07/325077807.db2.gz VWNFJYRXFHQJDP-UHFFFAOYSA-N 1 0 242.366 3.821 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000543241994 325077484 /nfs/dbraw/zinc/07/74/84/325077484.db2.gz UFISDTMRFGPPDE-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000543241995 325077900 /nfs/dbraw/zinc/07/79/00/325077900.db2.gz UFISDTMRFGPPDE-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000543241996 325077973 /nfs/dbraw/zinc/07/79/73/325077973.db2.gz UFISDTMRFGPPDE-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000543241997 325077975 /nfs/dbraw/zinc/07/79/75/325077975.db2.gz UFISDTMRFGPPDE-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CSCCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543245184 325078676 /nfs/dbraw/zinc/07/86/76/325078676.db2.gz PRJNKHQELPOZEE-HNNXBMFYSA-N 1 0 249.423 3.537 20 0 BHADRO CSCCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000543245192 325078709 /nfs/dbraw/zinc/07/87/09/325078709.db2.gz PRJNKHQELPOZEE-OAHLLOKOSA-N 1 0 249.423 3.537 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000543246688 325078489 /nfs/dbraw/zinc/07/84/89/325078489.db2.gz NXZOMIWJRLEDCJ-HNNXBMFYSA-N 1 0 229.367 3.727 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000543246689 325078721 /nfs/dbraw/zinc/07/87/21/325078721.db2.gz NXZOMIWJRLEDCJ-OAHLLOKOSA-N 1 0 229.367 3.727 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000543254491 325078340 /nfs/dbraw/zinc/07/83/40/325078340.db2.gz ZGERJCKAEFSLSJ-DLBZAZTESA-N 1 0 241.378 3.893 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000543254492 325078575 /nfs/dbraw/zinc/07/85/75/325078575.db2.gz ZGERJCKAEFSLSJ-IAGOWNOFSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000543254493 325078330 /nfs/dbraw/zinc/07/83/30/325078330.db2.gz ZGERJCKAEFSLSJ-IRXDYDNUSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000543254494 325078358 /nfs/dbraw/zinc/07/83/58/325078358.db2.gz ZGERJCKAEFSLSJ-SJORKVTESA-N 1 0 241.378 3.893 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccco1 ZINC000543393540 325085979 /nfs/dbraw/zinc/08/59/79/325085979.db2.gz IOLQEYVCJXSXNC-CHWSQXEVSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)Cc1ccco1 ZINC000543393541 325085767 /nfs/dbraw/zinc/08/57/67/325085767.db2.gz IOLQEYVCJXSXNC-OLZOCXBDSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccco1 ZINC000543393542 325086054 /nfs/dbraw/zinc/08/60/54/325086054.db2.gz IOLQEYVCJXSXNC-QWHCGFSZSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)Cc1ccco1 ZINC000543393543 325086213 /nfs/dbraw/zinc/08/62/13/325086213.db2.gz IOLQEYVCJXSXNC-STQMWFEESA-N 1 0 221.344 3.538 20 0 BHADRO CC[C@H]1CCC[C@H](C[N@H+](C)Cc2ccc[nH]2)C1 ZINC000543395861 325085372 /nfs/dbraw/zinc/08/53/72/325085372.db2.gz DEYWJTLWOOWDKS-KBPBESRZSA-N 1 0 234.387 3.663 20 0 BHADRO CC[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccc[nH]2)C1 ZINC000543395864 325085367 /nfs/dbraw/zinc/08/53/67/325085367.db2.gz DEYWJTLWOOWDKS-KGLIPLIRSA-N 1 0 234.387 3.663 20 0 BHADRO CC[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccc[nH]2)C1 ZINC000543395866 325085241 /nfs/dbraw/zinc/08/52/41/325085241.db2.gz DEYWJTLWOOWDKS-UONOGXRCSA-N 1 0 234.387 3.663 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccc[nH]2)C1 ZINC000543395867 325085000 /nfs/dbraw/zinc/08/50/00/325085000.db2.gz DEYWJTLWOOWDKS-ZIAGYGMSSA-N 1 0 234.387 3.663 20 0 BHADRO C[C@H]([NH2+]CCCCC1CCCC1)[C@H]1CCCO1 ZINC000543400866 325086077 /nfs/dbraw/zinc/08/60/77/325086077.db2.gz GHKQILWIZHBCLJ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CCCC1)[C@@H]1CCCO1 ZINC000543400867 325085130 /nfs/dbraw/zinc/08/51/30/325085130.db2.gz GHKQILWIZHBCLJ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CCCC1)[C@H]1CCCO1 ZINC000543400868 325085273 /nfs/dbraw/zinc/08/52/73/325085273.db2.gz GHKQILWIZHBCLJ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCCCC1CCCC1)[C@@H]1CCCO1 ZINC000543400869 325085495 /nfs/dbraw/zinc/08/54/95/325085495.db2.gz GHKQILWIZHBCLJ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000543404148 325086469 /nfs/dbraw/zinc/08/64/69/325086469.db2.gz MDMKLJJDRMXVEM-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000543404149 325086780 /nfs/dbraw/zinc/08/67/80/325086780.db2.gz MDMKLJJDRMXVEM-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000543404150 325086964 /nfs/dbraw/zinc/08/69/64/325086964.db2.gz MDMKLJJDRMXVEM-LJISPDSOSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000543404151 325086815 /nfs/dbraw/zinc/08/68/15/325086815.db2.gz MDMKLJJDRMXVEM-XGUBFFRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCOCCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000543406177 325086652 /nfs/dbraw/zinc/08/66/52/325086652.db2.gz GYEVPPFBHKVQPU-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCOCCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000543406180 325086774 /nfs/dbraw/zinc/08/67/74/325086774.db2.gz GYEVPPFBHKVQPU-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000543408187 325086725 /nfs/dbraw/zinc/08/67/25/325086725.db2.gz ZLWOQOAPOCZWEY-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO COCCCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000543408188 325086551 /nfs/dbraw/zinc/08/65/51/325086551.db2.gz ZLWOQOAPOCZWEY-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO C[N@@H+](C[C@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000543412033 325086524 /nfs/dbraw/zinc/08/65/24/325086524.db2.gz BHRZYHKROUZSMJ-GASCZTMLSA-N 1 0 219.372 3.631 20 0 BHADRO C[NH+](C[C@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000543412034 325086907 /nfs/dbraw/zinc/08/69/07/325086907.db2.gz BHRZYHKROUZSMJ-GJZGRUSLSA-N 1 0 219.372 3.631 20 0 BHADRO C[NH+](C[C@@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000543412035 325085017 /nfs/dbraw/zinc/08/50/17/325085017.db2.gz BHRZYHKROUZSMJ-HUUCEWRRSA-N 1 0 219.372 3.631 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccs2)CC(C)(C)C1 ZINC000543413044 325086825 /nfs/dbraw/zinc/08/68/25/325086825.db2.gz WCPPSNCOIFLGNV-LLVKDONJSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)CC(C)(C)C1 ZINC000543413045 325086556 /nfs/dbraw/zinc/08/65/56/325086556.db2.gz WCPPSNCOIFLGNV-NSHDSACASA-N 1 0 223.385 3.616 20 0 BHADRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC000543413457 325087479 /nfs/dbraw/zinc/08/74/79/325087479.db2.gz NDEMPFKMVNUJDR-AWEZNQCLSA-N 1 0 247.382 3.563 20 0 BHADRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000543413458 325087366 /nfs/dbraw/zinc/08/73/66/325087366.db2.gz NDEMPFKMVNUJDR-CQSZACIVSA-N 1 0 247.382 3.563 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000543413560 325087173 /nfs/dbraw/zinc/08/71/73/325087173.db2.gz UBAXHNLUHQVPBN-JTQLQIEISA-N 1 0 241.762 3.801 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000543413561 325087571 /nfs/dbraw/zinc/08/75/71/325087571.db2.gz UBAXHNLUHQVPBN-SNVBAGLBSA-N 1 0 241.762 3.801 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](Cc3ccco3)C2)cc1 ZINC000543414163 325087603 /nfs/dbraw/zinc/08/76/03/325087603.db2.gz RGDSHQBTIXHBTC-HNNXBMFYSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccco3)C2)cc1 ZINC000543414166 325087674 /nfs/dbraw/zinc/08/76/74/325087674.db2.gz RGDSHQBTIXHBTC-OAHLLOKOSA-N 1 0 241.334 3.578 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000543430121 325088011 /nfs/dbraw/zinc/08/80/11/325088011.db2.gz SDTBJPPNNYMUGS-AWEZNQCLSA-N 1 0 229.367 3.844 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000543430122 325087881 /nfs/dbraw/zinc/08/78/81/325087881.db2.gz SDTBJPPNNYMUGS-CQSZACIVSA-N 1 0 229.367 3.844 20 0 BHADRO CC(C)(O)CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000543444916 325088960 /nfs/dbraw/zinc/08/89/60/325088960.db2.gz HWYQCXUHPUHANL-AWEZNQCLSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)(O)CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000543444917 325088925 /nfs/dbraw/zinc/08/89/25/325088925.db2.gz HWYQCXUHPUHANL-CQSZACIVSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H](C[NH2+]CCCC1CC1)Cc1ccccc1 ZINC000543445752 325088693 /nfs/dbraw/zinc/08/86/93/325088693.db2.gz AIQOOUPDNSSGDD-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@@H](C[NH2+]CCCC1CC1)Cc1ccccc1 ZINC000543445753 325088934 /nfs/dbraw/zinc/08/89/34/325088934.db2.gz AIQOOUPDNSSGDD-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000543446400 325088685 /nfs/dbraw/zinc/08/86/85/325088685.db2.gz FYPBXKPJIMMDTD-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000543446402 325088812 /nfs/dbraw/zinc/08/88/12/325088812.db2.gz FYPBXKPJIMMDTD-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@H](C[NH2+]CC1(C2CC2)CC1)Cc1ccccc1 ZINC000543446857 325088697 /nfs/dbraw/zinc/08/86/97/325088697.db2.gz UMLMXBJGCIQXKI-AWEZNQCLSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@@H](C[NH2+]CC1(C2CC2)CC1)Cc1ccccc1 ZINC000543446858 325088790 /nfs/dbraw/zinc/08/87/90/325088790.db2.gz UMLMXBJGCIQXKI-CQSZACIVSA-N 1 0 243.394 3.645 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccco1 ZINC000543446973 325088269 /nfs/dbraw/zinc/08/82/69/325088269.db2.gz GMWZDZZQRWWDQC-AWEZNQCLSA-N 1 0 243.350 3.590 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccco1 ZINC000543446979 325088414 /nfs/dbraw/zinc/08/84/14/325088414.db2.gz GMWZDZZQRWWDQC-CQSZACIVSA-N 1 0 243.350 3.590 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)CC1CCC1 ZINC000543448089 325089101 /nfs/dbraw/zinc/08/91/01/325089101.db2.gz RCRAIGKPBNFDML-AWEZNQCLSA-N 1 0 231.383 3.597 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)CC1CCC1 ZINC000543448090 325088801 /nfs/dbraw/zinc/08/88/01/325088801.db2.gz RCRAIGKPBNFDML-CQSZACIVSA-N 1 0 231.383 3.597 20 0 BHADRO CC[N@H+](CCCOCc1ccccc1)CC(C)C ZINC000543449065 325089723 /nfs/dbraw/zinc/08/97/23/325089723.db2.gz AEMZPRUXXGDYFA-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO FCC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000543453013 325089615 /nfs/dbraw/zinc/08/96/15/325089615.db2.gz APPPERYGIPQHBO-CYBMUJFWSA-N 1 0 249.354 3.591 20 0 BHADRO FCC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000543453014 325089649 /nfs/dbraw/zinc/08/96/49/325089649.db2.gz APPPERYGIPQHBO-ZDUSSCGKSA-N 1 0 249.354 3.591 20 0 BHADRO CCCC[C@H]([NH2+]CCCOC(C)C)C1CCC1 ZINC000543453613 325089598 /nfs/dbraw/zinc/08/95/98/325089598.db2.gz QTVXDVCTWFVABK-HNNXBMFYSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]([NH2+]CCCOC(C)C)C1CCC1 ZINC000543453614 325089561 /nfs/dbraw/zinc/08/95/61/325089561.db2.gz QTVXDVCTWFVABK-OAHLLOKOSA-N 1 0 241.419 3.750 20 0 BHADRO Clc1ccccc1CCC[NH2+]C1(C2CC2)CC1 ZINC000543454499 325089584 /nfs/dbraw/zinc/08/95/84/325089584.db2.gz LNGUMFPWVSNSMV-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO CCCc1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000543454541 325089683 /nfs/dbraw/zinc/08/96/83/325089683.db2.gz LUOUFNCEBBENNV-UHFFFAOYSA-N 1 0 229.367 3.671 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000543460198 325090245 /nfs/dbraw/zinc/09/02/45/325090245.db2.gz JPPMQPLGDXGPCZ-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000543460200 325090340 /nfs/dbraw/zinc/09/03/40/325090340.db2.gz JPPMQPLGDXGPCZ-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000543460202 325090434 /nfs/dbraw/zinc/09/04/34/325090434.db2.gz JPPMQPLGDXGPCZ-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000543460203 325090354 /nfs/dbraw/zinc/09/03/54/325090354.db2.gz JPPMQPLGDXGPCZ-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO c1ccc(C[C@@H]([NH2+][C@H]2C=CCCC2)C2CC2)cc1 ZINC000543470886 325091034 /nfs/dbraw/zinc/09/10/34/325091034.db2.gz UQQRRUXMNJJTBR-DLBZAZTESA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@@H]([NH2+][C@@H]2C=CCCC2)C2CC2)cc1 ZINC000543470888 325090720 /nfs/dbraw/zinc/09/07/20/325090720.db2.gz UQQRRUXMNJJTBR-IAGOWNOFSA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@H]([NH2+][C@H]2C=CCCC2)C2CC2)cc1 ZINC000543470889 325091024 /nfs/dbraw/zinc/09/10/24/325091024.db2.gz UQQRRUXMNJJTBR-IRXDYDNUSA-N 1 0 241.378 3.706 20 0 BHADRO c1ccc(C[C@H]([NH2+][C@@H]2C=CCCC2)C2CC2)cc1 ZINC000543470890 325090844 /nfs/dbraw/zinc/09/08/44/325090844.db2.gz UQQRRUXMNJJTBR-SJORKVTESA-N 1 0 241.378 3.706 20 0 BHADRO CC(C)=CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000543477763 325091022 /nfs/dbraw/zinc/09/10/22/325091022.db2.gz HATHQOGDBHWELJ-INIZCTEOSA-N 1 0 229.367 3.564 20 0 BHADRO CC(C)=CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000543477764 325090733 /nfs/dbraw/zinc/09/07/33/325090733.db2.gz HATHQOGDBHWELJ-MRXNPFEDSA-N 1 0 229.367 3.564 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000543541043 325092826 /nfs/dbraw/zinc/09/28/26/325092826.db2.gz BYFQQZVHISVMHS-IOASZLSFSA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543541044 325093095 /nfs/dbraw/zinc/09/30/95/325093095.db2.gz BYFQQZVHISVMHS-WOSRLPQWSA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543541045 325092948 /nfs/dbraw/zinc/09/29/48/325092948.db2.gz BYFQQZVHISVMHS-XJKCOSOUSA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543541046 325092966 /nfs/dbraw/zinc/09/29/66/325092966.db2.gz BYFQQZVHISVMHS-ZENOOKHLSA-N 1 0 247.382 3.575 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000543559302 325093870 /nfs/dbraw/zinc/09/38/70/325093870.db2.gz QGGJWNXQMWDRNR-KBPBESRZSA-N 1 0 207.361 3.750 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000543559307 325093633 /nfs/dbraw/zinc/09/36/33/325093633.db2.gz QGGJWNXQMWDRNR-KGLIPLIRSA-N 1 0 207.361 3.750 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000543559308 325093556 /nfs/dbraw/zinc/09/35/56/325093556.db2.gz QGGJWNXQMWDRNR-UONOGXRCSA-N 1 0 207.361 3.750 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000543559310 325093912 /nfs/dbraw/zinc/09/39/12/325093912.db2.gz QGGJWNXQMWDRNR-ZIAGYGMSSA-N 1 0 207.361 3.750 20 0 BHADRO CCC[C@H]([NH2+]CC1CCCC1)c1cccnc1 ZINC000543591656 325095869 /nfs/dbraw/zinc/09/58/69/325095869.db2.gz LZFSXYYFQNHKMK-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCCC1)c1cccnc1 ZINC000543591660 325095862 /nfs/dbraw/zinc/09/58/62/325095862.db2.gz LZFSXYYFQNHKMK-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO Cc1ccc([C@@H]([NH2+]Cc2ccoc2)C2CCC2)o1 ZINC000543592988 325095954 /nfs/dbraw/zinc/09/59/54/325095954.db2.gz ZNNKPPJFISGDFW-HNNXBMFYSA-N 1 0 245.322 3.812 20 0 BHADRO Cc1ccc([C@H]([NH2+]Cc2ccoc2)C2CCC2)o1 ZINC000543592989 325095859 /nfs/dbraw/zinc/09/58/59/325095859.db2.gz ZNNKPPJFISGDFW-OAHLLOKOSA-N 1 0 245.322 3.812 20 0 BHADRO COC1CCC(CC[NH2+]C2CCCCC2)CC1 ZINC000543598650 325096473 /nfs/dbraw/zinc/09/64/73/325096473.db2.gz CINICXSIMZLPTO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC2CC2)C2CCCC2)o1 ZINC000543607230 325097103 /nfs/dbraw/zinc/09/71/03/325097103.db2.gz WJJLNPNLOSMBEL-HNNXBMFYSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC2CC2)C2CCCC2)o1 ZINC000543607231 325097206 /nfs/dbraw/zinc/09/72/06/325097206.db2.gz WJJLNPNLOSMBEL-OAHLLOKOSA-N 1 0 233.355 3.819 20 0 BHADRO C[N@@H+](Cc1ccccn1)C[C@H]1CCCC(C)(C)C1 ZINC000543619796 325097870 /nfs/dbraw/zinc/09/78/70/325097870.db2.gz HXRONHRCRZHNII-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO C[N@@H+](Cc1ccccn1)C[C@@H]1CCCC(C)(C)C1 ZINC000543619797 325097991 /nfs/dbraw/zinc/09/79/91/325097991.db2.gz HXRONHRCRZHNII-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccon1)C1CCCCC1 ZINC000543625736 325098590 /nfs/dbraw/zinc/09/85/90/325098590.db2.gz OAZAPFJDRVLOAT-AAEUAGOBSA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccon1)C1CCCCC1 ZINC000543625737 325098926 /nfs/dbraw/zinc/09/89/26/325098926.db2.gz OAZAPFJDRVLOAT-DGCLKSJQSA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccon1)C1CCCCC1 ZINC000543625738 325098579 /nfs/dbraw/zinc/09/85/79/325098579.db2.gz OAZAPFJDRVLOAT-WCQYABFASA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccon1)C1CCCCC1 ZINC000543625739 325098468 /nfs/dbraw/zinc/09/84/68/325098468.db2.gz OAZAPFJDRVLOAT-YPMHNXCESA-N 1 0 236.359 3.684 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000543628211 325098916 /nfs/dbraw/zinc/09/89/16/325098916.db2.gz MJUWQVKTGXRBIP-AATRIKPKSA-N 1 0 239.309 3.756 20 0 BHADRO CCC(C)(C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000543628212 325098494 /nfs/dbraw/zinc/09/84/94/325098494.db2.gz MJUWQVKTGXRBIP-WAYWQWQTSA-N 1 0 239.309 3.756 20 0 BHADRO CC1=CC[N@H+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543629541 325098651 /nfs/dbraw/zinc/09/86/51/325098651.db2.gz RIFHJPVFMJTVEL-IHWYPQMZSA-N 1 0 249.304 3.630 20 0 BHADRO CC1=CC[N@H+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543629542 325098007 /nfs/dbraw/zinc/09/80/07/325098007.db2.gz RIFHJPVFMJTVEL-NSCUHMNNSA-N 1 0 249.304 3.630 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2C3CCC2CC3)c(F)c1 ZINC000543631095 325098806 /nfs/dbraw/zinc/09/88/06/325098806.db2.gz FDHHMEMUYKAHKY-OWOJBTEDSA-N 1 0 249.304 3.605 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2C3CCC2CC3)c(F)c1 ZINC000543631097 325098704 /nfs/dbraw/zinc/09/87/04/325098704.db2.gz FDHHMEMUYKAHKY-UPHRSURJSA-N 1 0 249.304 3.605 20 0 BHADRO CC(C)C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000543632621 325099221 /nfs/dbraw/zinc/09/92/21/325099221.db2.gz VOJNLENYPXOPCD-PLNGDYQASA-N 1 0 239.309 3.566 20 0 BHADRO CC(C)C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000543632623 325099597 /nfs/dbraw/zinc/09/95/97/325099597.db2.gz VOJNLENYPXOPCD-SNAWJCMRSA-N 1 0 239.309 3.566 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cn[nH]c1)CC1CCCCC1 ZINC000543634907 325099586 /nfs/dbraw/zinc/09/95/86/325099586.db2.gz LZRLZRJCXLCICK-CHWSQXEVSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1)CC1CCCCC1 ZINC000543634908 325099162 /nfs/dbraw/zinc/09/91/62/325099162.db2.gz LZRLZRJCXLCICK-OLZOCXBDSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC1CCCCC1)c1cn[nH]c1 ZINC000543634909 325099266 /nfs/dbraw/zinc/09/92/66/325099266.db2.gz LZRLZRJCXLCICK-QWHCGFSZSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cn[nH]c1)CC1CCCCC1 ZINC000543634910 325099576 /nfs/dbraw/zinc/09/95/76/325099576.db2.gz LZRLZRJCXLCICK-STQMWFEESA-N 1 0 249.402 3.667 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1occc1C ZINC000543638494 325099236 /nfs/dbraw/zinc/09/92/36/325099236.db2.gz UMBFEYKZSCFNBK-CYBMUJFWSA-N 1 0 221.344 3.743 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1occc1C ZINC000543638496 325099529 /nfs/dbraw/zinc/09/95/29/325099529.db2.gz UMBFEYKZSCFNBK-ZDUSSCGKSA-N 1 0 221.344 3.743 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H](C)c1ccon1 ZINC000543643866 325100436 /nfs/dbraw/zinc/10/04/36/325100436.db2.gz XQSNLEWQNHWQRO-CHWSQXEVSA-N 1 0 238.375 3.932 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)c1ccon1 ZINC000543643867 325100074 /nfs/dbraw/zinc/10/00/74/325100074.db2.gz XQSNLEWQNHWQRO-OLZOCXBDSA-N 1 0 238.375 3.932 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H](C)c1ccon1 ZINC000543643868 325097850 /nfs/dbraw/zinc/09/78/50/325097850.db2.gz XQSNLEWQNHWQRO-QWHCGFSZSA-N 1 0 238.375 3.932 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)c1ccon1 ZINC000543643869 325098097 /nfs/dbraw/zinc/09/80/97/325098097.db2.gz XQSNLEWQNHWQRO-STQMWFEESA-N 1 0 238.375 3.932 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ccon1)c1ccccc1 ZINC000543644792 325099971 /nfs/dbraw/zinc/09/99/71/325099971.db2.gz PKZKUOYZXJVJGJ-CHWSQXEVSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ccon1)c1ccccc1 ZINC000543644793 325100184 /nfs/dbraw/zinc/10/01/84/325100184.db2.gz PKZKUOYZXJVJGJ-OLZOCXBDSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ccon1)c1ccccc1 ZINC000543644794 325099341 /nfs/dbraw/zinc/09/93/41/325099341.db2.gz PKZKUOYZXJVJGJ-QWHCGFSZSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ccon1)c1ccccc1 ZINC000543644795 325099182 /nfs/dbraw/zinc/09/91/82/325099182.db2.gz PKZKUOYZXJVJGJ-STQMWFEESA-N 1 0 244.338 3.519 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000543645145 325100489 /nfs/dbraw/zinc/10/04/89/325100489.db2.gz VYHPDBVMWMBFHW-GFCCVEGCSA-N 1 0 223.385 3.903 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000543645147 325100387 /nfs/dbraw/zinc/10/03/87/325100387.db2.gz VYHPDBVMWMBFHW-LBPRGKRZSA-N 1 0 223.385 3.903 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)o1 ZINC000543719339 325104547 /nfs/dbraw/zinc/10/45/47/325104547.db2.gz FMWYSTVMYDHKLG-DZGCQCFKSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(C)o1 ZINC000543719340 325104456 /nfs/dbraw/zinc/10/44/56/325104456.db2.gz FMWYSTVMYDHKLG-HIFRSBDPSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)o1 ZINC000543719341 325104883 /nfs/dbraw/zinc/10/48/83/325104883.db2.gz FMWYSTVMYDHKLG-UKRRQHHQSA-N 1 0 235.371 3.689 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(C)o1 ZINC000543719342 325104618 /nfs/dbraw/zinc/10/46/18/325104618.db2.gz FMWYSTVMYDHKLG-ZFWWWQNUSA-N 1 0 235.371 3.689 20 0 BHADRO C[C@]1([NH2+]Cc2ccco2)CCCc2ccccc21 ZINC000543749040 325108790 /nfs/dbraw/zinc/10/87/90/325108790.db2.gz USROAWSLYRCFON-INIZCTEOSA-N 1 0 241.334 3.621 20 0 BHADRO C[C@@]1([NH2+]Cc2ccco2)CCCc2ccccc21 ZINC000543749047 325108905 /nfs/dbraw/zinc/10/89/05/325108905.db2.gz USROAWSLYRCFON-MRXNPFEDSA-N 1 0 241.334 3.621 20 0 BHADRO CCC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000543759016 325111855 /nfs/dbraw/zinc/11/18/55/325111855.db2.gz RNZKSMFUMGOXBL-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CCC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000543759017 325111809 /nfs/dbraw/zinc/11/18/09/325111809.db2.gz RNZKSMFUMGOXBL-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3C=CCCC3)C2)C1 ZINC000543806272 325115586 /nfs/dbraw/zinc/11/55/86/325115586.db2.gz ASYGTTPSHOMXCX-ILXRZTDVSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000543806273 325115080 /nfs/dbraw/zinc/11/50/80/325115080.db2.gz ASYGTTPSHOMXCX-KFWWJZLASA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@H]3C=CCCC3)C2)C1 ZINC000543806274 325115223 /nfs/dbraw/zinc/11/52/23/325115223.db2.gz ASYGTTPSHOMXCX-QLFBSQMISA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@@H]3C=CCCC3)C2)C1 ZINC000543806275 325115158 /nfs/dbraw/zinc/11/51/58/325115158.db2.gz ASYGTTPSHOMXCX-RBSFLKMASA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1)C(F)(F)F ZINC000543810399 325114979 /nfs/dbraw/zinc/11/49/79/325114979.db2.gz IFKBHFZQYGGAEI-GRYCIOLGSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1)C(F)(F)F ZINC000543810404 325115364 /nfs/dbraw/zinc/11/53/64/325115364.db2.gz IFKBHFZQYGGAEI-IJLUTSLNSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1)C(F)(F)F ZINC000543810610 325115051 /nfs/dbraw/zinc/11/50/51/325115051.db2.gz IFKBHFZQYGGAEI-UTUOFQBUSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1)C(F)(F)F ZINC000543810611 325115347 /nfs/dbraw/zinc/11/53/47/325115347.db2.gz IFKBHFZQYGGAEI-WOPDTQHZSA-N 1 0 249.320 3.697 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000543855830 325118568 /nfs/dbraw/zinc/11/85/68/325118568.db2.gz SKGMYUREBOXGAO-GDBMZVCRSA-N 1 0 249.398 3.659 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000543855831 325118357 /nfs/dbraw/zinc/11/83/57/325118357.db2.gz SKGMYUREBOXGAO-GOEBONIOSA-N 1 0 249.398 3.659 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000543855832 325118524 /nfs/dbraw/zinc/11/85/24/325118524.db2.gz SKGMYUREBOXGAO-HOCLYGCPSA-N 1 0 249.398 3.659 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000543855833 325118076 /nfs/dbraw/zinc/11/80/76/325118076.db2.gz SKGMYUREBOXGAO-ZBFHGGJFSA-N 1 0 249.398 3.659 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@@H]2CCCC[C@H]21 ZINC000543898321 325121716 /nfs/dbraw/zinc/12/17/16/325121716.db2.gz WCZMMPGCARBMHT-APIJFGDWSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@@H]2CCCC[C@@H]21 ZINC000543898322 325121642 /nfs/dbraw/zinc/12/16/42/325121642.db2.gz WCZMMPGCARBMHT-KBUPBQIOSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@H]2CCCC[C@@H]12 ZINC000543898323 325121402 /nfs/dbraw/zinc/12/14/02/325121402.db2.gz WCZMMPGCARBMHT-KBXIAJHMSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)[C@H]2CCCC[C@H]12 ZINC000543898324 325121759 /nfs/dbraw/zinc/12/17/59/325121759.db2.gz WCZMMPGCARBMHT-TUVASFSCSA-N 1 0 219.372 3.606 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000543908827 325122193 /nfs/dbraw/zinc/12/21/93/325122193.db2.gz VMHSYZFLLHXMFM-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000543908828 325122666 /nfs/dbraw/zinc/12/26/66/325122666.db2.gz VMHSYZFLLHXMFM-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000543908829 325122545 /nfs/dbraw/zinc/12/25/45/325122545.db2.gz VMHSYZFLLHXMFM-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000543908830 325122377 /nfs/dbraw/zinc/12/23/77/325122377.db2.gz VMHSYZFLLHXMFM-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO C[N@H+](CCCc1ccsc1)C1CCCC1 ZINC000543947147 325123370 /nfs/dbraw/zinc/12/33/70/325123370.db2.gz AJISFQBYMCMDLT-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO C[N@H+](CCCc1ccsc1)C1CCCCC1 ZINC000543947255 325123361 /nfs/dbraw/zinc/12/33/61/325123361.db2.gz QFAKTOLMAJESAR-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO C[N@H+](CCCc1ccsc1)Cc1ccccc1 ZINC000543947291 325122995 /nfs/dbraw/zinc/12/29/95/325122995.db2.gz SSABRHJVBYEVHY-UHFFFAOYSA-N 1 0 245.391 3.813 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCc2ccsc2)CC1 ZINC000543947798 325122929 /nfs/dbraw/zinc/12/29/29/325122929.db2.gz CROUURRGTRDWQO-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO C[C@H]1CCC[N@H+](CCCc2ccsc2)CC1 ZINC000543947802 325122972 /nfs/dbraw/zinc/12/29/72/325122972.db2.gz CROUURRGTRDWQO-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCc1ccsc1 ZINC000543947994 325122874 /nfs/dbraw/zinc/12/28/74/325122874.db2.gz XAOZPRVSFQOGBZ-GFCCVEGCSA-N 1 0 225.401 3.657 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCc1ccsc1 ZINC000543947996 325123142 /nfs/dbraw/zinc/12/31/42/325123142.db2.gz XAOZPRVSFQOGBZ-LBPRGKRZSA-N 1 0 225.401 3.657 20 0 BHADRO CC(C)C[N@H+](CCCc1ccsc1)C1CC1 ZINC000543948253 325123337 /nfs/dbraw/zinc/12/33/37/325123337.db2.gz VISHNLWMGMIIRN-UHFFFAOYSA-N 1 0 237.412 3.801 20 0 BHADRO CC1(C)CC[NH+](CCCc2ccsc2)CC1 ZINC000543955849 325124024 /nfs/dbraw/zinc/12/40/24/325124024.db2.gz PODHDHPDSIYLTM-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO C[N@H+](CCCc1ccsc1)CC1CCCC1 ZINC000543956544 325123570 /nfs/dbraw/zinc/12/35/70/325123570.db2.gz GWFVVAHZBOPLNM-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO C[N@H+](CCCc1ccsc1)CC(C)(C)C ZINC000543956585 325124012 /nfs/dbraw/zinc/12/40/12/325124012.db2.gz MAUKWWKCFOAORU-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO CC[C@@]1(C)CC[N@H+](CCCc2ccsc2)C1 ZINC000543959901 325123656 /nfs/dbraw/zinc/12/36/56/325123656.db2.gz FVKPRUFVJMEBRP-AWEZNQCLSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@]1(C)CC[N@H+](CCCc2ccsc2)C1 ZINC000543959902 325124060 /nfs/dbraw/zinc/12/40/60/325124060.db2.gz FVKPRUFVJMEBRP-CQSZACIVSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000543960179 325123903 /nfs/dbraw/zinc/12/39/03/325123903.db2.gz ZWPXNAMYGFFPOL-AWEZNQCLSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000543960180 325124001 /nfs/dbraw/zinc/12/40/01/325124001.db2.gz ZWPXNAMYGFFPOL-CQSZACIVSA-N 1 0 237.412 3.659 20 0 BHADRO CCC1CC[NH+](CCCc2ccsc2)CC1 ZINC000543962157 325123862 /nfs/dbraw/zinc/12/38/62/325123862.db2.gz RFPGTUOVFVHRFY-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000543980153 325125231 /nfs/dbraw/zinc/12/52/31/325125231.db2.gz KBGAWVUIIKJFQU-GFCCVEGCSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CCC(C)(C)C ZINC000543980154 325125370 /nfs/dbraw/zinc/12/53/70/325125370.db2.gz KBGAWVUIIKJFQU-LBPRGKRZSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000543980453 325125523 /nfs/dbraw/zinc/12/55/23/325125523.db2.gz SKMKVFHZLXRHAJ-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000543980454 325125612 /nfs/dbraw/zinc/12/56/12/325125612.db2.gz SKMKVFHZLXRHAJ-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+](C)CC1CCC1 ZINC000543983600 325125477 /nfs/dbraw/zinc/12/54/77/325125477.db2.gz YZZLWNQQEUTXOP-CYBMUJFWSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)CC1CCC1 ZINC000543983603 325125633 /nfs/dbraw/zinc/12/56/33/325125633.db2.gz YZZLWNQQEUTXOP-ZDUSSCGKSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1C ZINC000543989806 325125566 /nfs/dbraw/zinc/12/55/66/325125566.db2.gz BMOPVCAUVSAFAJ-CHWSQXEVSA-N 1 0 237.412 3.659 20 0 BHADRO C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@@H]1C ZINC000543989807 325125196 /nfs/dbraw/zinc/12/51/96/325125196.db2.gz BMOPVCAUVSAFAJ-OLZOCXBDSA-N 1 0 237.412 3.659 20 0 BHADRO C[C@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1C ZINC000543989808 325125643 /nfs/dbraw/zinc/12/56/43/325125643.db2.gz BMOPVCAUVSAFAJ-QWHCGFSZSA-N 1 0 237.412 3.659 20 0 BHADRO C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1C ZINC000543989809 325125955 /nfs/dbraw/zinc/12/59/55/325125955.db2.gz BMOPVCAUVSAFAJ-STQMWFEESA-N 1 0 237.412 3.659 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCc1ccsc1 ZINC000543991481 325125885 /nfs/dbraw/zinc/12/58/85/325125885.db2.gz VWWLGOJWERQANQ-GXTWGEPZSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCc1ccsc1 ZINC000543991482 325126415 /nfs/dbraw/zinc/12/64/15/325126415.db2.gz VWWLGOJWERQANQ-JSGCOSHPSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCc1ccsc1 ZINC000543991483 325126386 /nfs/dbraw/zinc/12/63/86/325126386.db2.gz VWWLGOJWERQANQ-OCCSQVGLSA-N 1 0 237.412 3.944 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCc1ccsc1 ZINC000543991484 325126282 /nfs/dbraw/zinc/12/62/82/325126282.db2.gz VWWLGOJWERQANQ-TZMCWYRMSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C(C)(C)C1CC1 ZINC000543999337 325125912 /nfs/dbraw/zinc/12/59/12/325125912.db2.gz DZEGAYPXCVYABS-GFCCVEGCSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C(C)(C)C1CC1 ZINC000543999338 325126326 /nfs/dbraw/zinc/12/63/26/325126326.db2.gz DZEGAYPXCVYABS-LBPRGKRZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1CCC(C)(C)CC1 ZINC000544001094 325125806 /nfs/dbraw/zinc/12/58/06/325125806.db2.gz IYNXNQOYEAZTPH-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1CCC(C)(C)CC1 ZINC000544001095 325125947 /nfs/dbraw/zinc/12/59/47/325125947.db2.gz IYNXNQOYEAZTPH-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CCCN(CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000544006679 325125815 /nfs/dbraw/zinc/12/58/15/325125815.db2.gz OXQLYJUHUIZGLM-JTQLQIEISA-N 1 0 247.354 3.656 20 0 BHADRO CCCN(CC(F)F)[C@H](C)Cc1ccsc1 ZINC000544006680 325126364 /nfs/dbraw/zinc/12/63/64/325126364.db2.gz OXQLYJUHUIZGLM-SNVBAGLBSA-N 1 0 247.354 3.656 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+](CC1CC1)CC1CC1 ZINC000544006885 325126837 /nfs/dbraw/zinc/12/68/37/325126837.db2.gz BMBIYCJMDOPFKS-GFCCVEGCSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+](CC1CC1)CC1CC1 ZINC000544006886 325126664 /nfs/dbraw/zinc/12/66/64/325126664.db2.gz BMBIYCJMDOPFKS-LBPRGKRZSA-N 1 0 249.423 3.801 20 0 BHADRO CCCC[N@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000544007819 325127016 /nfs/dbraw/zinc/12/70/16/325127016.db2.gz YMDIPMVILHIEMN-GFCCVEGCSA-N 1 0 237.412 3.944 20 0 BHADRO CCCC[N@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000544007820 325126842 /nfs/dbraw/zinc/12/68/42/325126842.db2.gz YMDIPMVILHIEMN-LBPRGKRZSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)CC1CCCC1 ZINC000544010359 325126721 /nfs/dbraw/zinc/12/67/21/325126721.db2.gz LMEXVBHDRCCMQI-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)CC1CCCC1 ZINC000544010360 325126767 /nfs/dbraw/zinc/12/67/67/325126767.db2.gz LMEXVBHDRCCMQI-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H](C)[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000544010481 325126928 /nfs/dbraw/zinc/12/69/28/325126928.db2.gz ZQCMDIOIJIRMEX-CHWSQXEVSA-N 1 0 237.362 3.877 20 0 BHADRO CC[C@@H](C)[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000544010482 325127038 /nfs/dbraw/zinc/12/70/38/325127038.db2.gz ZQCMDIOIJIRMEX-OLZOCXBDSA-N 1 0 237.362 3.877 20 0 BHADRO CC[C@H](C)[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000544010483 325126780 /nfs/dbraw/zinc/12/67/80/325126780.db2.gz ZQCMDIOIJIRMEX-QWHCGFSZSA-N 1 0 237.362 3.877 20 0 BHADRO CC[C@H](C)[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000544010484 325126828 /nfs/dbraw/zinc/12/68/28/325126828.db2.gz ZQCMDIOIJIRMEX-STQMWFEESA-N 1 0 237.362 3.877 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1Cc2ccccc2C1 ZINC000544013891 325127159 /nfs/dbraw/zinc/12/71/59/325127159.db2.gz OYOQCRIEBIREFK-GFCCVEGCSA-N 1 0 243.375 3.695 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1Cc2ccccc2C1 ZINC000544013894 325127105 /nfs/dbraw/zinc/12/71/05/325127105.db2.gz OYOQCRIEBIREFK-LBPRGKRZSA-N 1 0 243.375 3.695 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000544021082 325127687 /nfs/dbraw/zinc/12/76/87/325127687.db2.gz NMYOYUGDAWUCSJ-GXTWGEPZSA-N 1 0 237.412 3.657 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000544021083 325127448 /nfs/dbraw/zinc/12/74/48/325127448.db2.gz NMYOYUGDAWUCSJ-JSGCOSHPSA-N 1 0 237.412 3.657 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000544021084 325127836 /nfs/dbraw/zinc/12/78/36/325127836.db2.gz NMYOYUGDAWUCSJ-OCCSQVGLSA-N 1 0 237.412 3.657 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000544021085 325127873 /nfs/dbraw/zinc/12/78/73/325127873.db2.gz NMYOYUGDAWUCSJ-TZMCWYRMSA-N 1 0 237.412 3.657 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1C ZINC000544021883 325127511 /nfs/dbraw/zinc/12/75/11/325127511.db2.gz SRXBFEBENFYPPI-CHWSQXEVSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1C ZINC000544021884 325127944 /nfs/dbraw/zinc/12/79/44/325127944.db2.gz SRXBFEBENFYPPI-OLZOCXBDSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]1C ZINC000544021885 325126750 /nfs/dbraw/zinc/12/67/50/325126750.db2.gz SRXBFEBENFYPPI-QWHCGFSZSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]1C ZINC000544021886 325127144 /nfs/dbraw/zinc/12/71/44/325127144.db2.gz SRXBFEBENFYPPI-STQMWFEESA-N 1 0 235.346 3.631 20 0 BHADRO CC[N@H+](CC1CC1)[C@H](C)CCc1cccc(F)c1 ZINC000544021971 325127438 /nfs/dbraw/zinc/12/74/38/325127438.db2.gz WXCZDAMMIIZEAO-CYBMUJFWSA-N 1 0 249.373 3.879 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H](C)CCc1cccc(F)c1 ZINC000544021972 325127788 /nfs/dbraw/zinc/12/77/88/325127788.db2.gz WXCZDAMMIIZEAO-ZDUSSCGKSA-N 1 0 249.373 3.879 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC1(C)C ZINC000544022258 325127820 /nfs/dbraw/zinc/12/78/20/325127820.db2.gz LRPZQXZATVKOCQ-LLVKDONJSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC1(C)C ZINC000544022259 325127887 /nfs/dbraw/zinc/12/78/87/325127887.db2.gz LRPZQXZATVKOCQ-NSHDSACASA-N 1 0 223.385 3.554 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)Cc1ccc[nH]1 ZINC000544022265 325127401 /nfs/dbraw/zinc/12/74/01/325127401.db2.gz MKMBNVMXHTZSFN-UHFFFAOYSA-N 1 0 222.376 3.663 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC1(C)C ZINC000544022386 325127679 /nfs/dbraw/zinc/12/76/79/325127679.db2.gz UNMNIJFPXGEDFT-GFCCVEGCSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC1(C)C ZINC000544022387 325127854 /nfs/dbraw/zinc/12/78/54/325127854.db2.gz UNMNIJFPXGEDFT-LBPRGKRZSA-N 1 0 235.346 3.631 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000544022395 325127029 /nfs/dbraw/zinc/12/70/29/325127029.db2.gz UTPAFLTZSWJFIZ-AGIUHOORSA-N 1 0 237.412 3.657 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000544022396 325126730 /nfs/dbraw/zinc/12/67/30/325126730.db2.gz UTPAFLTZSWJFIZ-FRRDWIJNSA-N 1 0 237.412 3.657 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000544022397 325127046 /nfs/dbraw/zinc/12/70/46/325127046.db2.gz UTPAFLTZSWJFIZ-JHJVBQTASA-N 1 0 237.412 3.657 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000544022398 325126936 /nfs/dbraw/zinc/12/69/36/325126936.db2.gz UTPAFLTZSWJFIZ-UPJWGTAASA-N 1 0 237.412 3.657 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000544023875 325127721 /nfs/dbraw/zinc/12/77/21/325127721.db2.gz OSMGMZKUXJJKDG-GRYCIOLGSA-N 1 0 223.385 3.552 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000544023876 325127490 /nfs/dbraw/zinc/12/74/90/325127490.db2.gz OSMGMZKUXJJKDG-IJLUTSLNSA-N 1 0 223.385 3.552 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000544023878 325127813 /nfs/dbraw/zinc/12/78/13/325127813.db2.gz OSMGMZKUXJJKDG-TUAOUCFPSA-N 1 0 223.385 3.552 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000544023879 325127552 /nfs/dbraw/zinc/12/75/52/325127552.db2.gz OSMGMZKUXJJKDG-UTUOFQBUSA-N 1 0 223.385 3.552 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CCC[C@H]2C)c1C ZINC000544068619 325129993 /nfs/dbraw/zinc/12/99/93/325129993.db2.gz RZIQLKUOKOVASG-LLVKDONJSA-N 1 0 240.350 3.840 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CCC[C@@H]2C)c1C ZINC000544068620 325129748 /nfs/dbraw/zinc/12/97/48/325129748.db2.gz RZIQLKUOKOVASG-NSHDSACASA-N 1 0 240.350 3.840 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CC[C@@H](C)C2)c1C ZINC000544069364 325129868 /nfs/dbraw/zinc/12/98/68/325129868.db2.gz YWQYHUFTAXEIFT-LLVKDONJSA-N 1 0 240.350 3.698 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CC[C@H](C)C2)c1C ZINC000544069365 325129532 /nfs/dbraw/zinc/12/95/32/325129532.db2.gz YWQYHUFTAXEIFT-NSHDSACASA-N 1 0 240.350 3.698 20 0 BHADRO CC[N@H+](CCCc1ccc(C)cc1)C(C)C ZINC000544070183 325129403 /nfs/dbraw/zinc/12/94/03/325129403.db2.gz JKUKYCVZGVDZRY-UHFFFAOYSA-N 1 0 219.372 3.658 20 0 BHADRO CC1=CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544070596 325129892 /nfs/dbraw/zinc/12/98/92/325129892.db2.gz BRJLEJVDGOKHII-HNNXBMFYSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544070597 325129394 /nfs/dbraw/zinc/12/93/94/325129394.db2.gz BRJLEJVDGOKHII-OAHLLOKOSA-N 1 0 247.769 3.979 20 0 BHADRO CCCC[N@H+](CC)CCc1cccc(F)c1F ZINC000544072076 325129915 /nfs/dbraw/zinc/12/99/15/325129915.db2.gz KVSVYVHBPKJHMN-UHFFFAOYSA-N 1 0 241.325 3.629 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCc1ccc(C)cc1 ZINC000544072469 325129961 /nfs/dbraw/zinc/12/99/61/325129961.db2.gz UKPRZFYCISRUMH-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCc1ccc(C)cc1 ZINC000544072470 325129842 /nfs/dbraw/zinc/12/98/42/325129842.db2.gz UKPRZFYCISRUMH-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(C)C)c1 ZINC000544110585 325131165 /nfs/dbraw/zinc/13/11/65/325131165.db2.gz GXLOEGSHWLTDGH-BBRMVZONSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(C)C)c1 ZINC000544110586 325131132 /nfs/dbraw/zinc/13/11/32/325131132.db2.gz GXLOEGSHWLTDGH-CJNGLKHVSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(C)C)c1 ZINC000544110587 325131373 /nfs/dbraw/zinc/13/13/73/325131373.db2.gz GXLOEGSHWLTDGH-CZUORRHYSA-N 1 0 247.382 3.734 20 0 BHADRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(C)C)c1 ZINC000544110588 325131465 /nfs/dbraw/zinc/13/14/65/325131465.db2.gz GXLOEGSHWLTDGH-XJKSGUPXSA-N 1 0 247.382 3.734 20 0 BHADRO Clc1ccccc1CCC[N@@H+]1CCC12CCC2 ZINC000544142813 325132800 /nfs/dbraw/zinc/13/28/00/325132800.db2.gz BTLIOPCGCBJJOG-UHFFFAOYSA-N 1 0 249.785 3.901 20 0 BHADRO CO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000544146334 325132572 /nfs/dbraw/zinc/13/25/72/325132572.db2.gz XVWCHDAWKBLWAJ-BBRMVZONSA-N 1 0 247.382 3.592 20 0 BHADRO CO[C@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000544146336 325132747 /nfs/dbraw/zinc/13/27/47/325132747.db2.gz XVWCHDAWKBLWAJ-CJNGLKHVSA-N 1 0 247.382 3.592 20 0 BHADRO C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000544146814 325132531 /nfs/dbraw/zinc/13/25/31/325132531.db2.gz VMFXWKKQDFATSZ-HZMBPMFUSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000544146837 325132792 /nfs/dbraw/zinc/13/27/92/325132792.db2.gz VMFXWKKQDFATSZ-IINYFYTJSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000544146839 325132765 /nfs/dbraw/zinc/13/27/65/325132765.db2.gz VMFXWKKQDFATSZ-QMTHXVAHSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000544146841 325133647 /nfs/dbraw/zinc/13/36/47/325133647.db2.gz VMFXWKKQDFATSZ-YGRLFVJLSA-N 1 0 235.758 3.669 20 0 BHADRO CC[N@H+](CCCc1ccc(C)cc1)CC1CC1 ZINC000544149585 325133489 /nfs/dbraw/zinc/13/34/89/325133489.db2.gz JUTCDMWGSAXNIE-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC000544186942 325134398 /nfs/dbraw/zinc/13/43/98/325134398.db2.gz MOXPKAHNYGYXQM-INIZCTEOSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC000544186943 325134103 /nfs/dbraw/zinc/13/41/03/325134103.db2.gz MOXPKAHNYGYXQM-MRXNPFEDSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CCCC[C@@H]2C)o1 ZINC000544188355 325134073 /nfs/dbraw/zinc/13/40/73/325134073.db2.gz YWQYLGKRGQLXCF-GXTWGEPZSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CCCC[C@@H]2C)o1 ZINC000544188356 325134040 /nfs/dbraw/zinc/13/40/40/325134040.db2.gz YWQYLGKRGQLXCF-JSGCOSHPSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CCCC[C@H]2C)o1 ZINC000544188357 325134095 /nfs/dbraw/zinc/13/40/95/325134095.db2.gz YWQYLGKRGQLXCF-OCCSQVGLSA-N 1 0 235.371 3.546 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CCCC[C@H]2C)o1 ZINC000544188358 325134087 /nfs/dbraw/zinc/13/40/87/325134087.db2.gz YWQYLGKRGQLXCF-TZMCWYRMSA-N 1 0 235.371 3.546 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCc1ccccc1 ZINC000544348115 325138276 /nfs/dbraw/zinc/13/82/76/325138276.db2.gz FQNORTJSODNXIF-LLVKDONJSA-N 1 0 245.288 3.550 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCc1ccccc1 ZINC000544348116 325138463 /nfs/dbraw/zinc/13/84/63/325138463.db2.gz FQNORTJSODNXIF-NSHDSACASA-N 1 0 245.288 3.550 20 0 BHADRO Cc1cc(C[NH+]2CCCCC2)cc2cccnc12 ZINC000544348797 325138581 /nfs/dbraw/zinc/13/85/81/325138581.db2.gz PXKNWAONBGSXQB-UHFFFAOYSA-N 1 0 240.350 3.529 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000544348980 325138240 /nfs/dbraw/zinc/13/82/40/325138240.db2.gz OEIQYZNKHNZERS-FMKPAKJESA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000544348982 325138683 /nfs/dbraw/zinc/13/86/83/325138683.db2.gz OEIQYZNKHNZERS-IIAWOOMASA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000544348984 325138252 /nfs/dbraw/zinc/13/82/52/325138252.db2.gz OEIQYZNKHNZERS-IJEWVQPXSA-N 1 0 246.398 3.978 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000544348985 325138374 /nfs/dbraw/zinc/13/83/74/325138374.db2.gz OEIQYZNKHNZERS-YCPHGPKFSA-N 1 0 246.398 3.978 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CCCCCC1 ZINC000544355673 325138957 /nfs/dbraw/zinc/13/89/57/325138957.db2.gz ZNFKNGICFJJKLR-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)C1CCCCCC1 ZINC000544355674 325139032 /nfs/dbraw/zinc/13/90/32/325139032.db2.gz ZNFKNGICFJJKLR-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)C1CCCCCC1 ZINC000544355675 325139218 /nfs/dbraw/zinc/13/92/18/325139218.db2.gz ZNFKNGICFJJKLR-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CCCO1)C1CCCCCC1 ZINC000544355676 325139313 /nfs/dbraw/zinc/13/93/13/325139313.db2.gz ZNFKNGICFJJKLR-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCc1ccco1)C1CCCCCC1 ZINC000544364301 325139007 /nfs/dbraw/zinc/13/90/07/325139007.db2.gz PQNRLDMNXQHWRJ-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@H]([NH2+]CCc1ccco1)C1CCCCCC1 ZINC000544364302 325139269 /nfs/dbraw/zinc/13/92/69/325139269.db2.gz PQNRLDMNXQHWRJ-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000544365013 325138976 /nfs/dbraw/zinc/13/89/76/325138976.db2.gz FBQUEXFLDZQGSQ-LLVKDONJSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000544365014 325139134 /nfs/dbraw/zinc/13/91/34/325139134.db2.gz FBQUEXFLDZQGSQ-NSHDSACASA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000544365941 325139365 /nfs/dbraw/zinc/13/93/65/325139365.db2.gz OBVYXJQFPYMUKT-GFCCVEGCSA-N 1 0 223.385 3.616 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000544365942 325139061 /nfs/dbraw/zinc/13/90/61/325139061.db2.gz OBVYXJQFPYMUKT-LBPRGKRZSA-N 1 0 223.385 3.616 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000544366690 325139738 /nfs/dbraw/zinc/13/97/38/325139738.db2.gz ZUTKILAIXNAIGP-LALPHHSUSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000544366692 325139782 /nfs/dbraw/zinc/13/97/82/325139782.db2.gz ZUTKILAIXNAIGP-SLEUVZQESA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000544366694 325139717 /nfs/dbraw/zinc/13/97/17/325139717.db2.gz ZUTKILAIXNAIGP-TYNCELHUSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000544366695 325139793 /nfs/dbraw/zinc/13/97/93/325139793.db2.gz ZUTKILAIXNAIGP-YWPYICTPSA-N 1 0 235.371 3.545 20 0 BHADRO C[C@H]1C[C@@H](CC[NH2+]C2CCCCCC2)CCO1 ZINC000544366979 325139940 /nfs/dbraw/zinc/13/99/40/325139940.db2.gz GDYPCNNOFPXYFW-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[C@@H](CC[NH2+]C2CCCCCC2)CCO1 ZINC000544366980 325139863 /nfs/dbraw/zinc/13/98/63/325139863.db2.gz GDYPCNNOFPXYFW-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1C[C@H](CC[NH2+]C2CCCCCC2)CCO1 ZINC000544366981 325139843 /nfs/dbraw/zinc/13/98/43/325139843.db2.gz GDYPCNNOFPXYFW-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1C[C@H](CC[NH2+]C2CCCCCC2)CCO1 ZINC000544366982 325139861 /nfs/dbraw/zinc/13/98/61/325139861.db2.gz GDYPCNNOFPXYFW-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CC=CCC1 ZINC000544369364 325140028 /nfs/dbraw/zinc/14/00/28/325140028.db2.gz PLMBVQLPQWAMFV-LLVKDONJSA-N 1 0 239.746 3.721 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)o1)C[C@H]1CC=CCC1 ZINC000544369365 325139875 /nfs/dbraw/zinc/13/98/75/325139875.db2.gz PLMBVQLPQWAMFV-NSHDSACASA-N 1 0 239.746 3.721 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000544374540 325139980 /nfs/dbraw/zinc/13/99/80/325139980.db2.gz UROXQYKLTRSDAH-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000544374541 325139920 /nfs/dbraw/zinc/13/99/20/325139920.db2.gz UROXQYKLTRSDAH-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000544374542 325139952 /nfs/dbraw/zinc/13/99/52/325139952.db2.gz UROXQYKLTRSDAH-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000544374543 325138193 /nfs/dbraw/zinc/13/81/93/325138193.db2.gz UROXQYKLTRSDAH-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000544381601 325139812 /nfs/dbraw/zinc/13/98/12/325139812.db2.gz BCWYCHNCSIEJME-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000544381606 325140046 /nfs/dbraw/zinc/14/00/46/325140046.db2.gz BCWYCHNCSIEJME-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000544381607 325139910 /nfs/dbraw/zinc/13/99/10/325139910.db2.gz BCWYCHNCSIEJME-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000544381608 325139916 /nfs/dbraw/zinc/13/99/16/325139916.db2.gz BCWYCHNCSIEJME-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCCOCc1ccccc1 ZINC000544393768 325140538 /nfs/dbraw/zinc/14/05/38/325140538.db2.gz BPBSRLYTIKZHTB-HNNXBMFYSA-N 1 0 249.398 3.571 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCCOCc1ccccc1 ZINC000544393769 325140636 /nfs/dbraw/zinc/14/06/36/325140636.db2.gz BPBSRLYTIKZHTB-OAHLLOKOSA-N 1 0 249.398 3.571 20 0 BHADRO CC1CCC(C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000544396054 325140811 /nfs/dbraw/zinc/14/08/11/325140811.db2.gz UMVGFPQSFVSVJK-UHFFFAOYSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000544406502 325141238 /nfs/dbraw/zinc/14/12/38/325141238.db2.gz MMWCYBBBMWFKQL-HNNXBMFYSA-N 1 0 239.362 3.655 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000544406503 325141197 /nfs/dbraw/zinc/14/11/97/325141197.db2.gz MMWCYBBBMWFKQL-OAHLLOKOSA-N 1 0 239.362 3.655 20 0 BHADRO Cc1ccncc1NC[C@H](C)Cc1ccccc1 ZINC000544406526 325141095 /nfs/dbraw/zinc/14/10/95/325141095.db2.gz PVCJIIQXCVZEFZ-CYBMUJFWSA-N 1 0 240.350 3.681 20 0 BHADRO Cc1ccncc1NC[C@@H](C)Cc1ccccc1 ZINC000544406527 325141368 /nfs/dbraw/zinc/14/13/68/325141368.db2.gz PVCJIIQXCVZEFZ-ZDUSSCGKSA-N 1 0 240.350 3.681 20 0 BHADRO CC[N@H+](C[C@@H](C)Cc1ccccc1)C1CCC1 ZINC000544407536 325141435 /nfs/dbraw/zinc/14/14/35/325141435.db2.gz KIKAOYVSGGXDPL-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO CC[N@H+](C[C@H](C)Cc1ccccc1)C1CCC1 ZINC000544407538 325141507 /nfs/dbraw/zinc/14/15/07/325141507.db2.gz KIKAOYVSGGXDPL-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO CCCC[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000544408065 325141602 /nfs/dbraw/zinc/14/16/02/325141602.db2.gz PPBQJNNCUMNWDS-AWEZNQCLSA-N 1 0 219.372 3.597 20 0 BHADRO CCCC[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000544408067 325141683 /nfs/dbraw/zinc/14/16/83/325141683.db2.gz PPBQJNNCUMNWDS-CQSZACIVSA-N 1 0 219.372 3.597 20 0 BHADRO CCC(CC)C[N@H+](CC)CC[C@@H]1CCCCO1 ZINC000544408266 325141243 /nfs/dbraw/zinc/14/12/43/325141243.db2.gz JEYOYCSRUZFNMX-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(CC)C[N@H+](CC)CC[C@H]1CCCCO1 ZINC000544408267 325141522 /nfs/dbraw/zinc/14/15/22/325141522.db2.gz JEYOYCSRUZFNMX-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000544408472 325141670 /nfs/dbraw/zinc/14/16/70/325141670.db2.gz ZLXZRSNVUURBKF-KBPBESRZSA-N 1 0 219.372 3.596 20 0 BHADRO CC[C@H](C)[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000544408475 325141662 /nfs/dbraw/zinc/14/16/62/325141662.db2.gz ZLXZRSNVUURBKF-KGLIPLIRSA-N 1 0 219.372 3.596 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000544408476 325141404 /nfs/dbraw/zinc/14/14/04/325141404.db2.gz ZLXZRSNVUURBKF-UONOGXRCSA-N 1 0 219.372 3.596 20 0 BHADRO CC[C@@H](C)[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000544408477 325141584 /nfs/dbraw/zinc/14/15/84/325141584.db2.gz ZLXZRSNVUURBKF-ZIAGYGMSSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCOCc1ccccc1 ZINC000544408752 325141630 /nfs/dbraw/zinc/14/16/30/325141630.db2.gz LMOYUMVTROHCOU-HNNXBMFYSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCOCc1ccccc1 ZINC000544408755 325141706 /nfs/dbraw/zinc/14/17/06/325141706.db2.gz LMOYUMVTROHCOU-OAHLLOKOSA-N 1 0 249.398 3.570 20 0 BHADRO CCCCC[N@H+](CCCc1ccncc1)C(C)C ZINC000544408865 325141188 /nfs/dbraw/zinc/14/11/88/325141188.db2.gz ULRXFEVICZDCTP-UHFFFAOYSA-N 1 0 248.414 3.915 20 0 BHADRO CCCC[C@H]([NH2+]CCOC(C)(C)C)C1CCC1 ZINC000544411628 325142258 /nfs/dbraw/zinc/14/22/58/325142258.db2.gz ADVVDFVHVPBUMX-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H]([NH2+]CCOC(C)(C)C)C1CCC1 ZINC000544411629 325141916 /nfs/dbraw/zinc/14/19/16/325141916.db2.gz ADVVDFVHVPBUMX-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC000544412956 325142238 /nfs/dbraw/zinc/14/22/38/325142238.db2.gz WADWYSTWWLGLTR-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC000544412957 325142100 /nfs/dbraw/zinc/14/21/00/325142100.db2.gz WADWYSTWWLGLTR-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC000544412958 325142464 /nfs/dbraw/zinc/14/24/64/325142464.db2.gz WADWYSTWWLGLTR-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC000544412959 325141955 /nfs/dbraw/zinc/14/19/55/325141955.db2.gz WADWYSTWWLGLTR-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C)c(C[NH2+]C2(C3CC3)CC2)c(C)c1 ZINC000544413364 325142503 /nfs/dbraw/zinc/14/25/03/325142503.db2.gz AOHYNWQQOSHJPA-UHFFFAOYSA-N 1 0 229.367 3.644 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ncc(C(C)(C)C)o1 ZINC000544413412 325142392 /nfs/dbraw/zinc/14/23/92/325142392.db2.gz BBVMIDUAAPHWRA-JTQLQIEISA-N 1 0 248.370 3.565 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ncc(C(C)(C)C)o1 ZINC000544413413 325142511 /nfs/dbraw/zinc/14/25/11/325142511.db2.gz BBVMIDUAAPHWRA-SNVBAGLBSA-N 1 0 248.370 3.565 20 0 BHADRO Clc1ccc(CCC[NH2+]C2(C3CC3)CC2)cc1 ZINC000544416479 325142293 /nfs/dbraw/zinc/14/22/93/325142293.db2.gz YFNXQRZXUMYLGH-UHFFFAOYSA-N 1 0 249.785 3.805 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000544435318 325143878 /nfs/dbraw/zinc/14/38/78/325143878.db2.gz PITXBLGQNNOXEW-GHMZBOCLSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000544435319 325143742 /nfs/dbraw/zinc/14/37/42/325143742.db2.gz PITXBLGQNNOXEW-MNOVXSKESA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000544435320 325143736 /nfs/dbraw/zinc/14/37/36/325143736.db2.gz PITXBLGQNNOXEW-QWRGUYRKSA-N 1 0 241.325 3.532 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000544435321 325143642 /nfs/dbraw/zinc/14/36/42/325143642.db2.gz PITXBLGQNNOXEW-WDEREUQCSA-N 1 0 241.325 3.532 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC1CC1 ZINC000544442160 325143448 /nfs/dbraw/zinc/14/34/48/325143448.db2.gz GFBJTVSYWUQTPU-INIZCTEOSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1CC1 ZINC000544442161 325143358 /nfs/dbraw/zinc/14/33/58/325143358.db2.gz GFBJTVSYWUQTPU-MRXNPFEDSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)([NH2+]CCc1ccccc1)c1cccs1 ZINC000544466810 325144532 /nfs/dbraw/zinc/14/45/32/325144532.db2.gz OGBUSPQGCHJBMY-UHFFFAOYSA-N 1 0 245.391 3.816 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000544570106 325149281 /nfs/dbraw/zinc/14/92/81/325149281.db2.gz UTKLNYUMPFCCNF-AWEZNQCLSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000544570107 325149256 /nfs/dbraw/zinc/14/92/56/325149256.db2.gz UTKLNYUMPFCCNF-CQSZACIVSA-N 1 0 234.387 3.949 20 0 BHADRO Cc1ccc([C@@H]([NH2+]C2CCC2)C2CCCC2)o1 ZINC000544575029 325149322 /nfs/dbraw/zinc/14/93/22/325149322.db2.gz PQRWSZWYTXAXDV-HNNXBMFYSA-N 1 0 233.355 3.961 20 0 BHADRO Cc1ccc([C@H]([NH2+]C2CCC2)C2CCCC2)o1 ZINC000544575030 325149185 /nfs/dbraw/zinc/14/91/85/325149185.db2.gz PQRWSZWYTXAXDV-OAHLLOKOSA-N 1 0 233.355 3.961 20 0 BHADRO CCC[C@H]([NH2+]CCCC1CC1)c1cccnc1 ZINC000544575728 325149818 /nfs/dbraw/zinc/14/98/18/325149818.db2.gz FDQJJQZDENHLJU-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CCCC1CC1)c1cccnc1 ZINC000544575731 325149710 /nfs/dbraw/zinc/14/97/10/325149710.db2.gz FDQJJQZDENHLJU-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H](C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000544598353 325150767 /nfs/dbraw/zinc/15/07/67/325150767.db2.gz RQDFXUVEMXNGOL-AWEZNQCLSA-N 1 0 249.423 3.619 20 0 BHADRO CC[C@H](C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000544598354 325150833 /nfs/dbraw/zinc/15/08/33/325150833.db2.gz RQDFXUVEMXNGOL-CQSZACIVSA-N 1 0 249.423 3.619 20 0 BHADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCCC(C)(C)C1 ZINC000544598761 325150810 /nfs/dbraw/zinc/15/08/10/325150810.db2.gz VHCHRKAXRJHRRS-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCC(C)(C)C1 ZINC000544598765 325150662 /nfs/dbraw/zinc/15/06/62/325150662.db2.gz VHCHRKAXRJHRRS-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO C[N@@H+](Cc1ccncc1)C[C@H]1CCCC(C)(C)C1 ZINC000544600267 325151609 /nfs/dbraw/zinc/15/16/09/325151609.db2.gz KGINUDFVIKWOCF-HNNXBMFYSA-N 1 0 246.398 3.730 20 0 BHADRO C[N@@H+](Cc1ccncc1)C[C@@H]1CCCC(C)(C)C1 ZINC000544600268 325151582 /nfs/dbraw/zinc/15/15/82/325151582.db2.gz KGINUDFVIKWOCF-OAHLLOKOSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ccon1 ZINC000544604240 325152055 /nfs/dbraw/zinc/15/20/55/325152055.db2.gz MDFKRWOAKUMYLC-GFCCVEGCSA-N 1 0 238.375 3.786 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccon1 ZINC000544604241 325151435 /nfs/dbraw/zinc/15/14/35/325151435.db2.gz MDFKRWOAKUMYLC-LBPRGKRZSA-N 1 0 238.375 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccon1)C1CCCCCC1 ZINC000544606301 325151915 /nfs/dbraw/zinc/15/19/15/325151915.db2.gz SLRFUAIELYPKDL-NEPJUHHUSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)c1ccon1 ZINC000544606302 325152036 /nfs/dbraw/zinc/15/20/36/325152036.db2.gz SLRFUAIELYPKDL-NWDGAFQWSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)c1ccon1 ZINC000544606501 325151967 /nfs/dbraw/zinc/15/19/67/325151967.db2.gz SLRFUAIELYPKDL-RYUDHWBXSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCCC1)c1ccon1 ZINC000544606503 325151555 /nfs/dbraw/zinc/15/15/55/325151555.db2.gz SLRFUAIELYPKDL-VXGBXAGGSA-N 1 0 236.359 3.684 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)c2ccon2)CC1 ZINC000544606733 325151493 /nfs/dbraw/zinc/15/14/93/325151493.db2.gz WOPHMZHLVKNAQS-HIFPTAJRSA-N 1 0 236.359 3.684 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)c2ccon2)CC1 ZINC000544606735 325151510 /nfs/dbraw/zinc/15/15/10/325151510.db2.gz WOPHMZHLVKNAQS-PNESKVBLSA-N 1 0 236.359 3.684 20 0 BHADRO Cc1cccc([C@H](C)N[C@H](C)c2ccon2)c1C ZINC000544607206 398197350 /nfs/dbraw/zinc/19/73/50/398197350.db2.gz QZBZUUNVPTZHKZ-QWHCGFSZSA-N 1 0 244.338 3.703 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(F)cc1F)C(C)C ZINC000544608554 325151678 /nfs/dbraw/zinc/15/16/78/325151678.db2.gz XETPMZRRCOCNHZ-AATRIKPKSA-N 1 0 239.309 3.708 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(F)cc1F)C(C)C ZINC000544608555 325151929 /nfs/dbraw/zinc/15/19/29/325151929.db2.gz XETPMZRRCOCNHZ-WAYWQWQTSA-N 1 0 239.309 3.708 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C2(C3CC3)CC2)c(F)c1 ZINC000544613195 325152740 /nfs/dbraw/zinc/15/27/40/325152740.db2.gz VAHBUAUIYQFBGC-OWOJBTEDSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C2(C3CC3)CC2)c(F)c1 ZINC000544613196 325152243 /nfs/dbraw/zinc/15/22/43/325152243.db2.gz VAHBUAUIYQFBGC-UPHRSURJSA-N 1 0 249.304 3.510 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC(OC)CC1)C(C)C ZINC000544616021 325152490 /nfs/dbraw/zinc/15/24/90/325152490.db2.gz ULZNOSAIQXQLHH-NRXISQOPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC(OC)CC1)C(C)C ZINC000544616022 325152760 /nfs/dbraw/zinc/15/27/60/325152760.db2.gz ULZNOSAIQXQLHH-YMAMQOFZSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000544617522 325152284 /nfs/dbraw/zinc/15/22/84/325152284.db2.gz POUFOGURZORGSB-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CC2CCCCC2)cn1 ZINC000544759205 325158122 /nfs/dbraw/zinc/15/81/22/325158122.db2.gz WOEGMUXHGFACAQ-UHFFFAOYSA-N 1 0 246.398 3.795 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000544843837 325163172 /nfs/dbraw/zinc/16/31/72/325163172.db2.gz WRSLYLZGLAKPDV-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000544843838 325163181 /nfs/dbraw/zinc/16/31/81/325163181.db2.gz WRSLYLZGLAKPDV-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC=C(C)CC3)c2c1 ZINC000544845787 325162927 /nfs/dbraw/zinc/16/29/27/325162927.db2.gz LTVREASBLOCSGS-UHFFFAOYSA-N 1 0 238.334 3.700 20 0 BHADRO COCCCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000544893470 325165181 /nfs/dbraw/zinc/16/51/81/325165181.db2.gz FEJKORLSFRDFCT-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000544893474 325165525 /nfs/dbraw/zinc/16/55/25/325165525.db2.gz FEJKORLSFRDFCT-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)CCc1ccccn1 ZINC000544894529 325165224 /nfs/dbraw/zinc/16/52/24/325165224.db2.gz XKKUJUKSCFFIOZ-HNNXBMFYSA-N 1 0 248.414 3.772 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)CCc1ccccn1 ZINC000544894530 325165323 /nfs/dbraw/zinc/16/53/23/325165323.db2.gz XKKUJUKSCFFIOZ-OAHLLOKOSA-N 1 0 248.414 3.772 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCCOC(C)C ZINC000544896305 325165780 /nfs/dbraw/zinc/16/57/80/325165780.db2.gz VROHHXGJOKATKQ-HNNXBMFYSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCOC(C)C ZINC000544896306 325165855 /nfs/dbraw/zinc/16/58/55/325165855.db2.gz VROHHXGJOKATKQ-OAHLLOKOSA-N 1 0 249.398 3.769 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc(F)ccc1F ZINC000544901437 325166272 /nfs/dbraw/zinc/16/62/72/325166272.db2.gz BYECOUPUENVTOT-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1sccc1C ZINC000544939692 325168220 /nfs/dbraw/zinc/16/82/20/325168220.db2.gz DEUHUDZGXKHVJF-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(OC)c(C)c1 ZINC000544940149 325168341 /nfs/dbraw/zinc/16/83/41/325168341.db2.gz BZGZMQFAAUKIRH-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc(F)cc(F)c1 ZINC000544942535 325169124 /nfs/dbraw/zinc/16/91/24/325169124.db2.gz BLPUNIPLNZHAHV-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000545016738 325171426 /nfs/dbraw/zinc/17/14/26/325171426.db2.gz QBPDWYQKYFAXRO-KBPBESRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000545016742 325172019 /nfs/dbraw/zinc/17/20/19/325172019.db2.gz QBPDWYQKYFAXRO-KGLIPLIRSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000545016743 325171343 /nfs/dbraw/zinc/17/13/43/325171343.db2.gz QBPDWYQKYFAXRO-UONOGXRCSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000545016744 325171599 /nfs/dbraw/zinc/17/15/99/325171599.db2.gz QBPDWYQKYFAXRO-ZIAGYGMSSA-N 1 0 243.435 3.588 20 0 BHADRO CCSCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000545023338 325171925 /nfs/dbraw/zinc/17/19/25/325171925.db2.gz UGOJTXZRTMHFRQ-DOMZBBRYSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000545023340 325172269 /nfs/dbraw/zinc/17/22/69/325172269.db2.gz UGOJTXZRTMHFRQ-IUODEOHRSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000545023341 325172415 /nfs/dbraw/zinc/17/24/15/325172415.db2.gz UGOJTXZRTMHFRQ-SWLSCSKDSA-N 1 0 249.423 3.653 20 0 BHADRO CCSCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000545023342 325172197 /nfs/dbraw/zinc/17/21/97/325172197.db2.gz UGOJTXZRTMHFRQ-WFASDCNBSA-N 1 0 249.423 3.653 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCOCC2)CCCCC1 ZINC000545160789 325180685 /nfs/dbraw/zinc/18/06/85/325180685.db2.gz COFDVQKCTLFPTA-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCOCC2)CCCCC1 ZINC000545160790 325180568 /nfs/dbraw/zinc/18/05/68/325180568.db2.gz COFDVQKCTLFPTA-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000545177624 325183121 /nfs/dbraw/zinc/18/31/21/325183121.db2.gz YRZSNFIEKFYAFM-DZGCQCFKSA-N 1 0 232.371 3.655 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000545177625 325183106 /nfs/dbraw/zinc/18/31/06/325183106.db2.gz YRZSNFIEKFYAFM-HIFRSBDPSA-N 1 0 232.371 3.655 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000545177626 325183021 /nfs/dbraw/zinc/18/30/21/325183021.db2.gz YRZSNFIEKFYAFM-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000545177627 325183015 /nfs/dbraw/zinc/18/30/15/325183015.db2.gz YRZSNFIEKFYAFM-ZFWWWQNUSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000545196859 325189106 /nfs/dbraw/zinc/18/91/06/325189106.db2.gz IDVCXGKCIROSSY-CYBMUJFWSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000545196861 325189133 /nfs/dbraw/zinc/18/91/33/325189133.db2.gz IDVCXGKCIROSSY-ZDUSSCGKSA-N 1 0 243.435 3.588 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000545198354 325189941 /nfs/dbraw/zinc/18/99/41/325189941.db2.gz FHQJRWFAYZVUEG-HSMVNMDESA-N 1 0 247.382 3.718 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000545198355 325189476 /nfs/dbraw/zinc/18/94/76/325189476.db2.gz FHQJRWFAYZVUEG-HWWQOWPSSA-N 1 0 247.382 3.718 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000545198356 325189793 /nfs/dbraw/zinc/18/97/93/325189793.db2.gz FHQJRWFAYZVUEG-OZVIIMIRSA-N 1 0 247.382 3.718 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000545198357 325188976 /nfs/dbraw/zinc/18/89/76/325188976.db2.gz FHQJRWFAYZVUEG-XHBSWPGZSA-N 1 0 247.382 3.718 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000545207197 325192250 /nfs/dbraw/zinc/19/22/50/325192250.db2.gz RLKXMZBAQBJGDE-IUDNXUCKSA-N 1 0 247.382 3.512 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000545207198 325191999 /nfs/dbraw/zinc/19/19/99/325191999.db2.gz RLKXMZBAQBJGDE-JEYLPNPQSA-N 1 0 247.382 3.512 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000545212400 325193320 /nfs/dbraw/zinc/19/33/20/325193320.db2.gz OUKPJBIFFFFJKF-APHBMKBZSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000545212401 325193546 /nfs/dbraw/zinc/19/35/46/325193546.db2.gz OUKPJBIFFFFJKF-MAZHCROVSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000545212402 325193241 /nfs/dbraw/zinc/19/32/41/325193241.db2.gz OUKPJBIFFFFJKF-RCBQFDQVSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000545212403 325193254 /nfs/dbraw/zinc/19/32/54/325193254.db2.gz OUKPJBIFFFFJKF-VBNZEHGJSA-N 1 0 241.378 3.711 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000545212966 324109965 /nfs/dbraw/zinc/10/99/65/324109965.db2.gz JARFCGXIQBKFIJ-MBNYWOFBSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000545212967 324109999 /nfs/dbraw/zinc/10/99/99/324109999.db2.gz JARFCGXIQBKFIJ-OUCADQQQSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000545212968 324109981 /nfs/dbraw/zinc/10/99/81/324109981.db2.gz JARFCGXIQBKFIJ-SGMGOOAPSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000545212969 324110329 /nfs/dbraw/zinc/11/03/29/324110329.db2.gz JARFCGXIQBKFIJ-YRGRVCCFSA-N 1 0 235.371 3.545 20 0 BHADRO CCC[N@H+](CCc1cccs1)CC(C)C ZINC000545216591 325194900 /nfs/dbraw/zinc/19/49/00/325194900.db2.gz MGCVAYRDHYTPHT-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO COCC[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC000545229000 325196907 /nfs/dbraw/zinc/19/69/07/325196907.db2.gz ZKCDJUNBTHVCGV-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO COCC[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC000545229001 325196785 /nfs/dbraw/zinc/19/67/85/325196785.db2.gz ZKCDJUNBTHVCGV-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC/C=C\CC[N@H+](C1CC1)C1CCCC1 ZINC000545230536 324113004 /nfs/dbraw/zinc/11/30/04/324113004.db2.gz BHNXKAYMANMSJP-ARJAWSKDSA-N 1 0 207.361 3.750 20 0 BHADRO CC/C=C/CC[N@H+](C1CC1)C1CCCC1 ZINC000545230537 324113133 /nfs/dbraw/zinc/11/31/33/324113133.db2.gz BHNXKAYMANMSJP-ONEGZZNKSA-N 1 0 207.361 3.750 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@]1(C)CCCOC1 ZINC000545241804 325200545 /nfs/dbraw/zinc/20/05/45/325200545.db2.gz IQJOUQOELHHZJN-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@@]1(C)CCCOC1 ZINC000545241805 325200588 /nfs/dbraw/zinc/20/05/88/325200588.db2.gz IQJOUQOELHHZJN-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+][C@]1(C)CCCOC1 ZINC000545241806 325200719 /nfs/dbraw/zinc/20/07/19/325200719.db2.gz IQJOUQOELHHZJN-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+][C@@]1(C)CCCOC1 ZINC000545241807 325200367 /nfs/dbraw/zinc/20/03/67/325200367.db2.gz IQJOUQOELHHZJN-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000545246927 325201193 /nfs/dbraw/zinc/20/11/93/325201193.db2.gz ITPRFRDDBGHUOE-AWEZNQCLSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000545246928 325200853 /nfs/dbraw/zinc/20/08/53/325200853.db2.gz ITPRFRDDBGHUOE-CQSZACIVSA-N 1 0 246.398 3.739 20 0 BHADRO CC1(c2ccccc2)CC([NH2+]C2CCCC2)C1 ZINC000545271562 325204565 /nfs/dbraw/zinc/20/45/65/325204565.db2.gz DOYXTHNEMIKXBF-UHFFFAOYSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)C1(C)CC1 ZINC000545274110 325205078 /nfs/dbraw/zinc/20/50/78/325205078.db2.gz USASXDBWTSSELT-GRTSSRMGSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1(C)CC1 ZINC000545274111 325204929 /nfs/dbraw/zinc/20/49/29/325204929.db2.gz USASXDBWTSSELT-LRVUVFPRSA-N 1 0 229.367 3.711 20 0 BHADRO c1ccc([C@@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC000545278003 325204940 /nfs/dbraw/zinc/20/49/40/325204940.db2.gz JFYSBVJWAWHREB-HNNXBMFYSA-N 1 0 215.340 3.624 20 0 BHADRO c1ccc([C@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC000545278004 325205045 /nfs/dbraw/zinc/20/50/45/325205045.db2.gz JFYSBVJWAWHREB-OAHLLOKOSA-N 1 0 215.340 3.624 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1Cc2ccccc2C1 ZINC000545278436 324114546 /nfs/dbraw/zinc/11/45/46/324114546.db2.gz RGFAIHOCDRVNBT-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1Cc2ccccc2C1 ZINC000545278437 324114398 /nfs/dbraw/zinc/11/43/98/324114398.db2.gz RGFAIHOCDRVNBT-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO C[N@H+](CCCOCc1ccccc1)CC(C)(C)C ZINC000545278645 325205608 /nfs/dbraw/zinc/20/56/08/325205608.db2.gz VHXRBHAQMOIEAF-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000545293620 325208403 /nfs/dbraw/zinc/20/84/03/325208403.db2.gz XNEILSUJWOSFGC-NEPJUHHUSA-N 1 0 249.423 3.942 20 0 BHADRO C[C@H](C1CC1)[N@@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000545293621 325208316 /nfs/dbraw/zinc/20/83/16/325208316.db2.gz XNEILSUJWOSFGC-NWDGAFQWSA-N 1 0 249.423 3.942 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000545293622 325208292 /nfs/dbraw/zinc/20/82/92/325208292.db2.gz XNEILSUJWOSFGC-RYUDHWBXSA-N 1 0 249.423 3.942 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000545293623 325208340 /nfs/dbraw/zinc/20/83/40/325208340.db2.gz XNEILSUJWOSFGC-VXGBXAGGSA-N 1 0 249.423 3.942 20 0 BHADRO CC(C)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000545298832 364235788 /nfs/dbraw/zinc/23/57/88/364235788.db2.gz GZKPWMVQLYPAFA-UHFFFAOYSA-N 1 0 246.398 3.535 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC3(CC3)C2)s1 ZINC000545322539 325213124 /nfs/dbraw/zinc/21/31/24/325213124.db2.gz DVWPINDZXLULMT-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1ccc2[nH]c(C[N@@H+]3CCC3(C)C)cc2c1C ZINC000545328570 325213962 /nfs/dbraw/zinc/21/39/62/325213962.db2.gz FLYVJHKJUFARRW-UHFFFAOYSA-N 1 0 242.366 3.769 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C)cc1 ZINC000545466232 325223858 /nfs/dbraw/zinc/22/38/58/325223858.db2.gz CWEZYOIFWSVOGT-GFCCVEGCSA-N 1 0 245.288 3.816 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C)cc1 ZINC000545466233 325223843 /nfs/dbraw/zinc/22/38/43/325223843.db2.gz CWEZYOIFWSVOGT-LBPRGKRZSA-N 1 0 245.288 3.816 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc(C)c1 ZINC000545468439 325223795 /nfs/dbraw/zinc/22/37/95/325223795.db2.gz WJRAWDLZJDKFCP-GFCCVEGCSA-N 1 0 245.288 3.816 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(C)c1 ZINC000545468440 325223937 /nfs/dbraw/zinc/22/39/37/325223937.db2.gz WJRAWDLZJDKFCP-LBPRGKRZSA-N 1 0 245.288 3.816 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1C ZINC000545471867 325223785 /nfs/dbraw/zinc/22/37/85/325223785.db2.gz RBHGNDLKTDFTGT-GFCCVEGCSA-N 1 0 245.288 3.816 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1C ZINC000545471868 325223898 /nfs/dbraw/zinc/22/38/98/325223898.db2.gz RBHGNDLKTDFTGT-LBPRGKRZSA-N 1 0 245.288 3.816 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)Cc1cccnc1 ZINC000545517559 325226095 /nfs/dbraw/zinc/22/60/95/325226095.db2.gz MYPBKZOSLYOHLS-AWEZNQCLSA-N 1 0 234.387 3.730 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)Cc1cccnc1 ZINC000545517565 325225932 /nfs/dbraw/zinc/22/59/32/325225932.db2.gz MYPBKZOSLYOHLS-CQSZACIVSA-N 1 0 234.387 3.730 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CCC(COC)CC1 ZINC000545517680 325226559 /nfs/dbraw/zinc/22/65/59/325226559.db2.gz XXNIXGBJYMOYFA-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CCC(COC)CC1 ZINC000545517681 325226045 /nfs/dbraw/zinc/22/60/45/325226045.db2.gz XXNIXGBJYMOYFA-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CC[N@H+](CCCc1ccsc1)CCC1CC1 ZINC000545519005 325226511 /nfs/dbraw/zinc/22/65/11/325226511.db2.gz MYYIOBJBJXYJRU-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000545519223 325226492 /nfs/dbraw/zinc/22/64/92/325226492.db2.gz HDPVRTRDRYSRNX-ILXRZTDVSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000545519224 325226311 /nfs/dbraw/zinc/22/63/11/325226311.db2.gz HDPVRTRDRYSRNX-KKUMJFAQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000545519225 325226037 /nfs/dbraw/zinc/22/60/37/325226037.db2.gz HDPVRTRDRYSRNX-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000545519226 325226274 /nfs/dbraw/zinc/22/62/74/325226274.db2.gz HDPVRTRDRYSRNX-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO CC[N@H+](CCCCC(F)(F)F)CCC1CC1 ZINC000545519629 325226588 /nfs/dbraw/zinc/22/65/88/325226588.db2.gz PSFNKJLDGFTZEQ-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000545521486 325227266 /nfs/dbraw/zinc/22/72/66/325227266.db2.gz YURVFDUGRDLIKZ-KBPBESRZSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000545521487 325227215 /nfs/dbraw/zinc/22/72/15/325227215.db2.gz YURVFDUGRDLIKZ-KGLIPLIRSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000545521488 325227251 /nfs/dbraw/zinc/22/72/51/325227251.db2.gz YURVFDUGRDLIKZ-UONOGXRCSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000545521489 325226951 /nfs/dbraw/zinc/22/69/51/325226951.db2.gz YURVFDUGRDLIKZ-ZIAGYGMSSA-N 1 0 249.423 3.850 20 0 BHADRO CCOc1ccc(C[N@H+](CC)CCC2CC2)cc1 ZINC000545557284 325228038 /nfs/dbraw/zinc/22/80/38/325228038.db2.gz FVIXYKMAGIMPGB-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H](C[NH2+]C(C)(C)CCOC)c1ccccc1 ZINC000545559215 325228732 /nfs/dbraw/zinc/22/87/32/325228732.db2.gz IIBBVFQTWTYSRA-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CC[C@H](C[NH2+]C(C)(C)CCOC)c1ccccc1 ZINC000545559216 325229172 /nfs/dbraw/zinc/22/91/72/325229172.db2.gz IIBBVFQTWTYSRA-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000545559454 325229044 /nfs/dbraw/zinc/22/90/44/325229044.db2.gz AZILJHCWVWZJRF-GFCCVEGCSA-N 1 0 234.387 3.651 20 0 BHADRO CCC[C@H](C)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000545559455 325228862 /nfs/dbraw/zinc/22/88/62/325228862.db2.gz AZILJHCWVWZJRF-LBPRGKRZSA-N 1 0 234.387 3.651 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000545560460 325228784 /nfs/dbraw/zinc/22/87/84/325228784.db2.gz OQARYWQBXJZHDC-DLBZAZTESA-N 1 0 243.394 3.912 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000545560461 325228849 /nfs/dbraw/zinc/22/88/49/325228849.db2.gz OQARYWQBXJZHDC-IAGOWNOFSA-N 1 0 243.394 3.912 20 0 BHADRO CC[N@H+](CCC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000545560462 325228814 /nfs/dbraw/zinc/22/88/14/325228814.db2.gz OQARYWQBXJZHDC-SJORKVTESA-N 1 0 243.394 3.912 20 0 BHADRO CCC1(C[NH2+][C@H]2CCO[C@@H](C)C2)CCCCC1 ZINC000545858662 325240056 /nfs/dbraw/zinc/24/00/56/325240056.db2.gz JMGSMXIYUVGPDK-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H]2CCO[C@H](C)C2)CCCCC1 ZINC000545858663 325240448 /nfs/dbraw/zinc/24/04/48/325240448.db2.gz JMGSMXIYUVGPDK-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCO[C@@H](C)C2)CCCCC1 ZINC000545858664 325240999 /nfs/dbraw/zinc/24/09/99/325240999.db2.gz JMGSMXIYUVGPDK-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCO[C@H](C)C2)CCCCC1 ZINC000545858665 325241074 /nfs/dbraw/zinc/24/10/74/325241074.db2.gz JMGSMXIYUVGPDK-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCCOC)CCCCC1 ZINC000545865953 325240640 /nfs/dbraw/zinc/24/06/40/325240640.db2.gz QRYAEDUICFNFSJ-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCCOC)CCCCC1 ZINC000545865957 325240891 /nfs/dbraw/zinc/24/08/91/325240891.db2.gz QRYAEDUICFNFSJ-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccco1 ZINC000545897130 325244268 /nfs/dbraw/zinc/24/42/68/325244268.db2.gz HLUOGABVUOTDGC-OAHLLOKOSA-N 1 0 243.350 3.699 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000545899324 325244213 /nfs/dbraw/zinc/24/42/13/325244213.db2.gz PVGUIWQLKGRJOJ-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000545899325 325244327 /nfs/dbraw/zinc/24/43/27/325244327.db2.gz PVGUIWQLKGRJOJ-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1(CC)CCOCC1 ZINC000545899326 325244392 /nfs/dbraw/zinc/24/43/92/325244392.db2.gz PVGUIWQLKGRJOJ-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000545899327 325244520 /nfs/dbraw/zinc/24/45/20/325244520.db2.gz PVGUIWQLKGRJOJ-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000545899418 325244627 /nfs/dbraw/zinc/24/46/27/325244627.db2.gz FZQMKLXOYUABRI-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1cccc2c1[nH+]cc(C)c2N1CCCCC1 ZINC000545902900 325245185 /nfs/dbraw/zinc/24/51/85/325245185.db2.gz KSCVSKFGFWUEMN-UHFFFAOYSA-N 1 0 240.350 3.842 20 0 BHADRO CC(C)(C)C[NH+](CCC(C)(C)O)CC(C)(C)C ZINC000545904868 325245242 /nfs/dbraw/zinc/24/52/42/325245242.db2.gz QVZXFCMDLXVVTQ-UHFFFAOYSA-N 1 0 243.435 3.542 20 0 BHADRO CCC(CC)[N@H+](Cc1ccc(C)nc1)C1CC1 ZINC000545906968 325245751 /nfs/dbraw/zinc/24/57/51/325245751.db2.gz MLHIZGPXVXUJDZ-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCC[N@H+](CCc1cccs1)C1CCCC1 ZINC000545923690 325247046 /nfs/dbraw/zinc/24/70/46/325247046.db2.gz SFASALNAKAEYHJ-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545960120 325251428 /nfs/dbraw/zinc/25/14/28/325251428.db2.gz RXCITWVQSWJEGG-IUDNXUCKSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H](C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545960121 325251272 /nfs/dbraw/zinc/25/12/72/325251272.db2.gz RXCITWVQSWJEGG-JEYLPNPQSA-N 1 0 231.383 3.742 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000545960370 325251461 /nfs/dbraw/zinc/25/14/61/325251461.db2.gz JBURLXDSWJGXLF-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000545960371 325251067 /nfs/dbraw/zinc/25/10/67/325251067.db2.gz JBURLXDSWJGXLF-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000545960372 325251280 /nfs/dbraw/zinc/25/12/80/325251280.db2.gz JBURLXDSWJGXLF-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000545960373 325251345 /nfs/dbraw/zinc/25/13/45/325251345.db2.gz JBURLXDSWJGXLF-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545979591 325253521 /nfs/dbraw/zinc/25/35/21/325253521.db2.gz ZPBJBSJBSRXTTB-IUDNXUCKSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545979592 325251998 /nfs/dbraw/zinc/25/19/98/325251998.db2.gz ZPBJBSJBSRXTTB-JEYLPNPQSA-N 1 0 231.383 3.741 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000545985232 325253667 /nfs/dbraw/zinc/25/36/67/325253667.db2.gz WQGRLLFKEWHEMF-IUDNXUCKSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000545985233 325253255 /nfs/dbraw/zinc/25/32/55/325253255.db2.gz WQGRLLFKEWHEMF-JEYLPNPQSA-N 1 0 231.383 3.958 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCC2CC2)c(C)c1 ZINC000545985538 490182192 /nfs/dbraw/zinc/18/21/92/490182192.db2.gz QWLQLZSXDHALQH-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCC2CC2)c(C)c1 ZINC000545985539 490182167 /nfs/dbraw/zinc/18/21/67/490182167.db2.gz QWLQLZSXDHALQH-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000545986048 325254014 /nfs/dbraw/zinc/25/40/14/325254014.db2.gz XGODJTLBAXKGIE-GHMZBOCLSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000545986049 325254080 /nfs/dbraw/zinc/25/40/80/325254080.db2.gz XGODJTLBAXKGIE-MNOVXSKESA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000545986050 325254384 /nfs/dbraw/zinc/25/43/84/325254384.db2.gz XGODJTLBAXKGIE-QWRGUYRKSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000545986051 325254368 /nfs/dbraw/zinc/25/43/68/325254368.db2.gz XGODJTLBAXKGIE-WDEREUQCSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCCc1ccsc1)C1CC1 ZINC000546000706 325256541 /nfs/dbraw/zinc/25/65/41/325256541.db2.gz HHCGCNHNCMQPMD-GFCCVEGCSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCCc1ccsc1)C1CC1 ZINC000546000707 325256638 /nfs/dbraw/zinc/25/66/38/325256638.db2.gz HHCGCNHNCMQPMD-LBPRGKRZSA-N 1 0 249.423 3.944 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C2(C3CC3)CC2)cc1 ZINC000546008777 325256454 /nfs/dbraw/zinc/25/64/54/325256454.db2.gz KAPQXJZPJRLSLP-UHFFFAOYSA-N 1 0 243.394 3.885 20 0 BHADRO CCSc1cccc(C[N@@H+]2CCC2(C)C)c1 ZINC000546035416 325262003 /nfs/dbraw/zinc/26/20/03/325262003.db2.gz WAIZGKAKTDUMNC-UHFFFAOYSA-N 1 0 235.396 3.783 20 0 BHADRO COCCC(C)(C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000546055752 325263092 /nfs/dbraw/zinc/26/30/92/325263092.db2.gz QBIYBDXWIDDIFK-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000546055753 325263018 /nfs/dbraw/zinc/26/30/18/325263018.db2.gz QBIYBDXWIDDIFK-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C)C(C)(C)C1)C(F)(F)F ZINC000546123695 325267847 /nfs/dbraw/zinc/26/78/47/325267847.db2.gz XHBHEMDRVNCDLY-NXEZZACHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C)C(C)(C)C1)C(F)(F)F ZINC000546123696 325267818 /nfs/dbraw/zinc/26/78/18/325267818.db2.gz XHBHEMDRVNCDLY-UWVGGRQHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C)C(C)(C)C1)C(F)(F)F ZINC000546123697 325267529 /nfs/dbraw/zinc/26/75/29/325267529.db2.gz XHBHEMDRVNCDLY-VHSXEESVSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C)C(C)(C)C1)C(F)(F)F ZINC000546123698 325267948 /nfs/dbraw/zinc/26/79/48/325267948.db2.gz XHBHEMDRVNCDLY-ZJUUUORDSA-N 1 0 237.309 3.553 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000546164079 325269847 /nfs/dbraw/zinc/26/98/47/325269847.db2.gz YIEPVZCVANEBQP-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000546164080 325270060 /nfs/dbraw/zinc/27/00/60/325270060.db2.gz YIEPVZCVANEBQP-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000546164081 325269559 /nfs/dbraw/zinc/26/95/59/325269559.db2.gz YIEPVZCVANEBQP-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000546164082 325269866 /nfs/dbraw/zinc/26/98/66/325269866.db2.gz YIEPVZCVANEBQP-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C)o1 ZINC000546164511 325269987 /nfs/dbraw/zinc/26/99/87/325269987.db2.gz MENUPWXKRZQHLO-NXEZZACHSA-N 1 0 249.276 3.970 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000546164512 325269720 /nfs/dbraw/zinc/26/97/20/325269720.db2.gz MENUPWXKRZQHLO-UWVGGRQHSA-N 1 0 249.276 3.970 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000546164513 325269837 /nfs/dbraw/zinc/26/98/37/325269837.db2.gz MENUPWXKRZQHLO-VHSXEESVSA-N 1 0 249.276 3.970 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C)o1 ZINC000546164514 325268373 /nfs/dbraw/zinc/26/83/73/325268373.db2.gz MENUPWXKRZQHLO-ZJUUUORDSA-N 1 0 249.276 3.970 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@H](C)C[C@H]3C)c2c1 ZINC000546170929 325269677 /nfs/dbraw/zinc/26/96/77/325269677.db2.gz WQEVDLCIJZUGLD-CHWSQXEVSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@H](C)C[C@@H]3C)c2c1 ZINC000546170930 325269711 /nfs/dbraw/zinc/26/97/11/325269711.db2.gz WQEVDLCIJZUGLD-OLZOCXBDSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@@H](C)C[C@H]3C)c2c1 ZINC000546170931 325269920 /nfs/dbraw/zinc/26/99/20/325269920.db2.gz WQEVDLCIJZUGLD-QWHCGFSZSA-N 1 0 240.350 3.778 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@@H](C)C[C@@H]3C)c2c1 ZINC000546170932 325269525 /nfs/dbraw/zinc/26/95/25/325269525.db2.gz WQEVDLCIJZUGLD-STQMWFEESA-N 1 0 240.350 3.778 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1F ZINC000546172301 325269992 /nfs/dbraw/zinc/26/99/92/325269992.db2.gz JVBJSTBKZMSNBN-JTQLQIEISA-N 1 0 249.251 3.646 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1F ZINC000546172303 325269970 /nfs/dbraw/zinc/26/99/70/325269970.db2.gz JVBJSTBKZMSNBN-SNVBAGLBSA-N 1 0 249.251 3.646 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000546175226 325269514 /nfs/dbraw/zinc/26/95/14/325269514.db2.gz OVTNDWOGZWWEGC-LLVKDONJSA-N 1 0 249.251 3.646 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000546175227 325269914 /nfs/dbraw/zinc/26/99/14/325269914.db2.gz OVTNDWOGZWWEGC-NSHDSACASA-N 1 0 249.251 3.646 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@H](C)[C@H](C)C3)c2c1 ZINC000546180350 325269754 /nfs/dbraw/zinc/26/97/54/325269754.db2.gz BPYDTZXGCSPYCD-BETUJISGSA-N 1 0 240.350 3.635 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@@H](C)[C@H](C)C3)c2c1 ZINC000546180351 325270091 /nfs/dbraw/zinc/27/00/91/325270091.db2.gz BPYDTZXGCSPYCD-CHWSQXEVSA-N 1 0 240.350 3.635 20 0 BHADRO Cc1ccc2[nH+]ccc(N3C[C@H](C)[C@@H](C)C3)c2c1 ZINC000546180352 325269780 /nfs/dbraw/zinc/26/97/80/325269780.db2.gz BPYDTZXGCSPYCD-STQMWFEESA-N 1 0 240.350 3.635 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H](COC)C1 ZINC000546223709 325272132 /nfs/dbraw/zinc/27/21/32/325272132.db2.gz IBYXAQUZBOLDQL-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@H](COC)C1 ZINC000546223710 325271907 /nfs/dbraw/zinc/27/19/07/325271907.db2.gz IBYXAQUZBOLDQL-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000546223711 325272082 /nfs/dbraw/zinc/27/20/82/325272082.db2.gz IBYXAQUZBOLDQL-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000546223712 325271807 /nfs/dbraw/zinc/27/18/07/325271807.db2.gz IBYXAQUZBOLDQL-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H](C)CCC=C(C)C ZINC000546224983 325271905 /nfs/dbraw/zinc/27/19/05/325271905.db2.gz XZOJKWOHLSRCOO-AWEZNQCLSA-N 1 0 241.419 3.774 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H](C)CCC=C(C)C ZINC000546224984 325272024 /nfs/dbraw/zinc/27/20/24/325272024.db2.gz XZOJKWOHLSRCOO-CQSZACIVSA-N 1 0 241.419 3.774 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000546225699 325272030 /nfs/dbraw/zinc/27/20/30/325272030.db2.gz NFLUAYWNWDNMQY-LLVKDONJSA-N 1 0 245.288 3.906 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCC(F)(F)F ZINC000546225700 325272112 /nfs/dbraw/zinc/27/21/12/325272112.db2.gz NFLUAYWNWDNMQY-NSHDSACASA-N 1 0 245.288 3.906 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546227232 325272002 /nfs/dbraw/zinc/27/20/02/325272002.db2.gz FVFJGUUGIJVLCU-CABCVRRESA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546227233 325271903 /nfs/dbraw/zinc/27/19/03/325271903.db2.gz FVFJGUUGIJVLCU-GJZGRUSLSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000546227234 325272070 /nfs/dbraw/zinc/27/20/70/325272070.db2.gz FVFJGUUGIJVLCU-HUUCEWRRSA-N 1 0 249.398 3.769 20 0 BHADRO COCCC[C@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000546227235 325271849 /nfs/dbraw/zinc/27/18/49/325271849.db2.gz FVFJGUUGIJVLCU-LSDHHAIUSA-N 1 0 249.398 3.769 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc(C)ccc1OC ZINC000546228468 325271947 /nfs/dbraw/zinc/27/19/47/325271947.db2.gz RESWYVZCVJGLGK-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(F)c(F)c1 ZINC000546228548 325271781 /nfs/dbraw/zinc/27/17/81/325271781.db2.gz LRDHSGHKWPTMFN-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(F)cc1F ZINC000546229954 325272337 /nfs/dbraw/zinc/27/23/37/325272337.db2.gz KCBHGDTZJZGLKT-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCCCOCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546230006 325272685 /nfs/dbraw/zinc/27/26/85/325272685.db2.gz MFIYXVRKDDTXFO-HNNXBMFYSA-N 1 0 249.398 3.771 20 0 BHADRO CCCCOCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000546230007 325272427 /nfs/dbraw/zinc/27/24/27/325272427.db2.gz MFIYXVRKDDTXFO-OAHLLOKOSA-N 1 0 249.398 3.771 20 0 BHADRO CCOC1CC([NH2+][C@@H](C)c2c(C)cccc2C)C1 ZINC000546264837 325275963 /nfs/dbraw/zinc/27/59/63/325275963.db2.gz XBKZHKXPGWXNAN-NFOMZHRRSA-N 1 0 247.382 3.522 20 0 BHADRO CCOC1CC([NH2+][C@H](C)c2c(C)cccc2C)C1 ZINC000546264838 325275839 /nfs/dbraw/zinc/27/58/39/325275839.db2.gz XBKZHKXPGWXNAN-WLYUNCDWSA-N 1 0 247.382 3.522 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCCCC1 ZINC000546572610 325287354 /nfs/dbraw/zinc/28/73/54/325287354.db2.gz JFONCTNZXVPGGC-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@@H]2CCCO2)CCCCC1 ZINC000546572613 325287224 /nfs/dbraw/zinc/28/72/24/325287224.db2.gz JFONCTNZXVPGGC-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCCCC1 ZINC000546572615 325287124 /nfs/dbraw/zinc/28/71/24/325287124.db2.gz JFONCTNZXVPGGC-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@H]2CCCO2)CCCCC1 ZINC000546572616 325287177 /nfs/dbraw/zinc/28/71/77/325287177.db2.gz JFONCTNZXVPGGC-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO FC(F)c1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000546601751 325292189 /nfs/dbraw/zinc/29/21/89/325292189.db2.gz GJDRJQWBJOHVCR-UHFFFAOYSA-N 1 0 237.293 3.751 20 0 BHADRO CCC1([NH2+][C@@H]2CCCC(C)(C)C2)CCOCC1 ZINC000546605917 325293212 /nfs/dbraw/zinc/29/32/12/325293212.db2.gz KTWLIPWCEQJEAM-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@H]2CCCC(C)(C)C2)CCOCC1 ZINC000546605918 325292932 /nfs/dbraw/zinc/29/29/32/325292932.db2.gz KTWLIPWCEQJEAM-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[N@H+](CCCc1ccncc1)C1CC1 ZINC000546611881 325293868 /nfs/dbraw/zinc/29/38/68/325293868.db2.gz DYWWYXJKMLXOJW-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CCC1(CC)C[N@@H+](C2CCCC2)CCS1 ZINC000546630729 325296047 /nfs/dbraw/zinc/29/60/47/325296047.db2.gz XGKCFEPCROHVPA-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000546643950 325297101 /nfs/dbraw/zinc/29/71/01/325297101.db2.gz OXVJEVDDLSCAKU-AWFCHZOYSA-N 1 0 244.382 3.883 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000546643951 325297141 /nfs/dbraw/zinc/29/71/41/325297141.db2.gz OXVJEVDDLSCAKU-YIEVGGLXSA-N 1 0 244.382 3.883 20 0 BHADRO CC/C=C/CC[N@H+](Cc1ccccn1)C(C)C ZINC000546644070 325297274 /nfs/dbraw/zinc/29/72/74/325297274.db2.gz LZEUKMTXSGJVDE-AATRIKPKSA-N 1 0 232.371 3.648 20 0 BHADRO CC/C=C\CC[N@H+](Cc1ccccn1)C(C)C ZINC000546644071 325297135 /nfs/dbraw/zinc/29/71/35/325297135.db2.gz LZEUKMTXSGJVDE-WAYWQWQTSA-N 1 0 232.371 3.648 20 0 BHADRO Cc1cc(Cl)ccc1C[N@@H+]1CCC1(C)C ZINC000546653503 325298768 /nfs/dbraw/zinc/29/87/68/325298768.db2.gz DBOJQICNUBOLJV-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CCC1([NH2+][C@H](C)CC2CCCC2)CCOCC1 ZINC000546655548 325298796 /nfs/dbraw/zinc/29/87/96/325298796.db2.gz DGBDDLDBASFOBW-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@@H](C)CC2CCCC2)CCOCC1 ZINC000546655549 325299119 /nfs/dbraw/zinc/29/91/19/325299119.db2.gz DGBDDLDBASFOBW-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000546660117 325299897 /nfs/dbraw/zinc/29/98/97/325299897.db2.gz PEOJYFQKMHBXOB-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000546660118 325299925 /nfs/dbraw/zinc/29/99/25/325299925.db2.gz PEOJYFQKMHBXOB-RRFJBIMHSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000546660119 325299790 /nfs/dbraw/zinc/29/97/90/325299790.db2.gz PEOJYFQKMHBXOB-SOUVJXGZSA-N 1 0 241.419 3.606 20 0 BHADRO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000546660120 325299798 /nfs/dbraw/zinc/29/97/98/325299798.db2.gz PEOJYFQKMHBXOB-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]CC2(C)CC2)C1 ZINC000546666678 388469562 /nfs/dbraw/zinc/46/95/62/388469562.db2.gz VVZSEJHSHGCBSP-HDJSIYSDSA-N 1 0 229.367 3.631 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000546667020 388469801 /nfs/dbraw/zinc/46/98/01/388469801.db2.gz BHHFIMXSMMEWJW-DFULUXCASA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000546667021 388469717 /nfs/dbraw/zinc/46/97/17/388469717.db2.gz BHHFIMXSMMEWJW-OBTMHIKCSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000546667022 388469570 /nfs/dbraw/zinc/46/95/70/388469570.db2.gz BHHFIMXSMMEWJW-PMRDFSHISA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000546667023 388469853 /nfs/dbraw/zinc/46/98/53/388469853.db2.gz BHHFIMXSMMEWJW-XNGJBWTFSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000546685746 325301248 /nfs/dbraw/zinc/30/12/48/325301248.db2.gz PSGWFXVBVZCJTI-IGEOTXOUSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000546685748 325301109 /nfs/dbraw/zinc/30/11/09/325301109.db2.gz PSGWFXVBVZCJTI-NVPAJSRCSA-N 1 0 243.394 3.885 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCC1CC1)CO2 ZINC000546692656 325302116 /nfs/dbraw/zinc/30/21/16/325302116.db2.gz PICGYZIQAWZCPW-DOMZBBRYSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCC1CC1)CO2 ZINC000546692657 325302042 /nfs/dbraw/zinc/30/20/42/325302042.db2.gz PICGYZIQAWZCPW-IUODEOHRSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCC1CC1)CO2 ZINC000546692658 325301859 /nfs/dbraw/zinc/30/18/59/325301859.db2.gz PICGYZIQAWZCPW-SWLSCSKDSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCC1CC1)CO2 ZINC000546692659 325302154 /nfs/dbraw/zinc/30/21/54/325302154.db2.gz PICGYZIQAWZCPW-WFASDCNBSA-N 1 0 245.366 3.597 20 0 BHADRO CCC(CC)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000546698336 325302396 /nfs/dbraw/zinc/30/23/96/325302396.db2.gz LOVGAYJMPARGPT-UHFFFAOYSA-N 1 0 231.383 3.885 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CCC1 ZINC000546699180 325302611 /nfs/dbraw/zinc/30/26/11/325302611.db2.gz WVQJCSPXGLALTI-IGEOTXOUSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CCC1 ZINC000546699181 325302622 /nfs/dbraw/zinc/30/26/22/325302622.db2.gz WVQJCSPXGLALTI-NVPAJSRCSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)c1ccc(CC[NH2+]C2(C)CCC2)cc1 ZINC000546716569 325304451 /nfs/dbraw/zinc/30/44/51/325304451.db2.gz JMUWYOIFDBUGIJ-UHFFFAOYSA-N 1 0 231.383 3.885 20 0 BHADRO Cc1ccc2[nH]c(C[NH+]3CCCCC3)cc2c1C ZINC000546741520 325308201 /nfs/dbraw/zinc/30/82/01/325308201.db2.gz MLUVZYCZXMEYRJ-UHFFFAOYSA-N 1 0 242.366 3.771 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccco1 ZINC000546879527 325315738 /nfs/dbraw/zinc/31/57/38/325315738.db2.gz UAYNDGLBNYRBFL-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccco1 ZINC000546879536 325315415 /nfs/dbraw/zinc/31/54/15/325315415.db2.gz UAYNDGLBNYRBFL-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CCc1ccc(C[NH2+][C@H](CC)CC(F)(F)F)o1 ZINC000546880822 325316238 /nfs/dbraw/zinc/31/62/38/325316238.db2.gz OUBCFXMEPJOFMR-SECBINFHSA-N 1 0 249.276 3.663 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](CC)CC(F)(F)F)o1 ZINC000546880823 325315986 /nfs/dbraw/zinc/31/59/86/325315986.db2.gz OUBCFXMEPJOFMR-VIFPVBQESA-N 1 0 249.276 3.663 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1 ZINC000546880886 325316234 /nfs/dbraw/zinc/31/62/34/325316234.db2.gz RYOHDEIHBWULDF-LLVKDONJSA-N 1 0 249.251 3.646 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1 ZINC000546880887 325316208 /nfs/dbraw/zinc/31/62/08/325316208.db2.gz RYOHDEIHBWULDF-NSHDSACASA-N 1 0 249.251 3.646 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)CCc1ccncc1 ZINC000546930195 325318789 /nfs/dbraw/zinc/31/87/89/325318789.db2.gz BDSGHWRBOFRKNV-HNNXBMFYSA-N 1 0 248.414 3.772 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)CCc1ccncc1 ZINC000546930197 325318704 /nfs/dbraw/zinc/31/87/04/325318704.db2.gz BDSGHWRBOFRKNV-OAHLLOKOSA-N 1 0 248.414 3.772 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000546931534 325319055 /nfs/dbraw/zinc/31/90/55/325319055.db2.gz PVKRCDQBTWSMQF-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000546931535 325319077 /nfs/dbraw/zinc/31/90/77/325319077.db2.gz PVKRCDQBTWSMQF-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000546931536 325318936 /nfs/dbraw/zinc/31/89/36/325318936.db2.gz PVKRCDQBTWSMQF-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000546931537 325318989 /nfs/dbraw/zinc/31/89/89/325318989.db2.gz PVKRCDQBTWSMQF-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO CC[N@H+](CCC1CC1)[C@H](C)c1ccccc1 ZINC000546931862 325319058 /nfs/dbraw/zinc/31/90/58/325319058.db2.gz XHGIHKPUBRQOBE-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO CC[N@H+](CCC1CC1)[C@@H](C)c1ccccc1 ZINC000546931867 325318775 /nfs/dbraw/zinc/31/87/75/325318775.db2.gz XHGIHKPUBRQOBE-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO CC[N@@H+](C/C=C/c1ccccc1)CCC1CC1 ZINC000546932367 325318718 /nfs/dbraw/zinc/31/87/18/325318718.db2.gz ANNYRFULYOQDQR-RMKNXTFCSA-N 1 0 229.367 3.822 20 0 BHADRO CC[N@@H+](C/C=C\c1ccccc1)CCC1CC1 ZINC000546932368 325318897 /nfs/dbraw/zinc/31/88/97/325318897.db2.gz ANNYRFULYOQDQR-TWGQIWQCSA-N 1 0 229.367 3.822 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)[C@@H]1CCSC1 ZINC000546934082 325319254 /nfs/dbraw/zinc/31/92/54/325319254.db2.gz MWPTXYCWORYRHJ-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](C)[C@H]1CCSC1 ZINC000546934083 325317502 /nfs/dbraw/zinc/31/75/02/325317502.db2.gz MWPTXYCWORYRHJ-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)[C@@H]1CCSC1 ZINC000546934084 325317365 /nfs/dbraw/zinc/31/73/65/325317365.db2.gz MWPTXYCWORYRHJ-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[C@H](CC)C[N@H+](C)[C@H]1CCSC1 ZINC000546934085 325317577 /nfs/dbraw/zinc/31/75/77/325317577.db2.gz MWPTXYCWORYRHJ-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H](COCC)C1 ZINC000546934570 325319357 /nfs/dbraw/zinc/31/93/57/325319357.db2.gz BHJZWMLPDRTUQA-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](COCC)C1 ZINC000546934571 325319454 /nfs/dbraw/zinc/31/94/54/325319454.db2.gz BHJZWMLPDRTUQA-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](COCC)C1 ZINC000546934572 325319298 /nfs/dbraw/zinc/31/92/98/325319298.db2.gz BHJZWMLPDRTUQA-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](COCC)C1 ZINC000546934573 325319405 /nfs/dbraw/zinc/31/94/05/325319405.db2.gz BHJZWMLPDRTUQA-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCSCC1 ZINC000546934654 325319419 /nfs/dbraw/zinc/31/94/19/325319419.db2.gz DLRPUAUHOYJPBF-CYBMUJFWSA-N 1 0 249.423 3.850 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCSCC1 ZINC000546934661 325319560 /nfs/dbraw/zinc/31/95/60/325319560.db2.gz DLRPUAUHOYJPBF-ZDUSSCGKSA-N 1 0 249.423 3.850 20 0 BHADRO COC[C@H]([NH2+][C@H](C)c1c(C)cccc1C)C(C)C ZINC000546934722 325319512 /nfs/dbraw/zinc/31/95/12/325319512.db2.gz DGHQEIMJSDCZIC-CABCVRRESA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@H]([NH2+][C@@H](C)c1c(C)cccc1C)C(C)C ZINC000546934726 325319545 /nfs/dbraw/zinc/31/95/45/325319545.db2.gz DGHQEIMJSDCZIC-GJZGRUSLSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@H](C)c1c(C)cccc1C)C(C)C ZINC000546934727 325319427 /nfs/dbraw/zinc/31/94/27/325319427.db2.gz DGHQEIMJSDCZIC-HUUCEWRRSA-N 1 0 249.398 3.625 20 0 BHADRO COC[C@@H]([NH2+][C@@H](C)c1c(C)cccc1C)C(C)C ZINC000546934728 325319308 /nfs/dbraw/zinc/31/93/08/325319308.db2.gz DGHQEIMJSDCZIC-LSDHHAIUSA-N 1 0 249.398 3.625 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCOC(C)(C)C ZINC000546936170 325319271 /nfs/dbraw/zinc/31/92/71/325319271.db2.gz YCAXIWSZSWMEIJ-AWEZNQCLSA-N 1 0 249.398 3.769 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000546936171 325319332 /nfs/dbraw/zinc/31/93/32/325319332.db2.gz YCAXIWSZSWMEIJ-CQSZACIVSA-N 1 0 249.398 3.769 20 0 BHADRO CC[N@H+](CCC1CC1)[C@H](C)Cc1ccsc1 ZINC000546970188 325320975 /nfs/dbraw/zinc/32/09/75/325320975.db2.gz JAJSAVONKGPIGB-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO CC[N@H+](CCC1CC1)[C@@H](C)Cc1ccsc1 ZINC000546970199 325320489 /nfs/dbraw/zinc/32/04/89/325320489.db2.gz JAJSAVONKGPIGB-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CCOc1cccc(C[N@H+](CC)CCC2CC2)c1 ZINC000546972733 325321533 /nfs/dbraw/zinc/32/15/33/325321533.db2.gz BKRCTJGWFRRYMF-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cccs2)CC1(C)C ZINC000546973014 325321551 /nfs/dbraw/zinc/32/15/51/325321551.db2.gz RSXUPQJNMBSMGN-LLVKDONJSA-N 1 0 223.385 3.616 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cccs2)CC1(C)C ZINC000546973020 325321527 /nfs/dbraw/zinc/32/15/27/325321527.db2.gz RSXUPQJNMBSMGN-NSHDSACASA-N 1 0 223.385 3.616 20 0 BHADRO CCSCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000547004192 325322600 /nfs/dbraw/zinc/32/26/00/325322600.db2.gz HVKSZRRQPYVHCJ-AWEZNQCLSA-N 1 0 249.423 3.752 20 0 BHADRO CCSCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000547004194 325322477 /nfs/dbraw/zinc/32/24/77/325322477.db2.gz HVKSZRRQPYVHCJ-CQSZACIVSA-N 1 0 249.423 3.752 20 0 BHADRO CCC1(C[NH2+]Cc2ccc(C)cn2)CCCCC1 ZINC000547271147 325334758 /nfs/dbraw/zinc/33/47/58/325334758.db2.gz GLLDUOQCLLXUPX-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CCC1(C[NH2+]Cc2cccnc2C)CCCCC1 ZINC000547272120 325334716 /nfs/dbraw/zinc/33/47/16/325334716.db2.gz FXYFVAWVRPKUOQ-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000547280057 325334655 /nfs/dbraw/zinc/33/46/55/325334655.db2.gz JMVYUTWZKGYJOI-AWEZNQCLSA-N 1 0 243.394 3.878 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000547280058 325334575 /nfs/dbraw/zinc/33/45/75/325334575.db2.gz JMVYUTWZKGYJOI-CQSZACIVSA-N 1 0 243.394 3.878 20 0 BHADRO FC1=CCC[N@H+](CC2CCCCCC2)C1 ZINC000547291927 325335848 /nfs/dbraw/zinc/33/58/48/325335848.db2.gz YWLYNYIWSPVBHB-UHFFFAOYSA-N 1 0 211.324 3.516 20 0 BHADRO CC[N@@H+](Cc1ccncc1)CC1CCCCCC1 ZINC000547293238 325335702 /nfs/dbraw/zinc/33/57/02/325335702.db2.gz SVRMUKPKWXYEKN-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO C(C1CCCCCC1)[NH+]1C2CCC1CC2 ZINC000547293542 325335812 /nfs/dbraw/zinc/33/58/12/325335812.db2.gz BAVZFWXNMIIFCC-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO FC(F)c1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000547307557 325337832 /nfs/dbraw/zinc/33/78/32/325337832.db2.gz PXWIQYOCPKIPGF-UHFFFAOYSA-N 1 0 237.293 3.656 20 0 BHADRO CCCC[N@H+](CCC)CCc1cccs1 ZINC000547337515 325344220 /nfs/dbraw/zinc/34/42/20/325344220.db2.gz XPWRGIDZWZKWNB-UHFFFAOYSA-N 1 0 225.401 3.803 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000547351741 325346525 /nfs/dbraw/zinc/34/65/25/325346525.db2.gz XLXYXMYIVFITEK-ABCZVMIZSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000547351742 325346545 /nfs/dbraw/zinc/34/65/45/325346545.db2.gz XLXYXMYIVFITEK-BWPKMQGJSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000547351743 325346198 /nfs/dbraw/zinc/34/61/98/325346198.db2.gz XLXYXMYIVFITEK-JZIMQPMSSA-N 1 0 230.355 3.575 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000547351744 323194603 /nfs/dbraw/zinc/19/46/03/323194603.db2.gz XLXYXMYIVFITEK-NHZBNJEXSA-N 1 0 230.355 3.575 20 0 BHADRO Cc1cc(Cl)ccc1C[NH+]1C2CCC1CC2 ZINC000547360999 325347739 /nfs/dbraw/zinc/34/77/39/325347739.db2.gz ZTZQUCLXOWDOMM-UHFFFAOYSA-N 1 0 235.758 3.775 20 0 BHADRO CCC1([NH2+][C@@H](C)CCCC(C)C)CCOCC1 ZINC000547362899 325347691 /nfs/dbraw/zinc/34/76/91/325347691.db2.gz YWUKNXKHIKWARA-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1([NH2+][C@H](C)CCCC(C)C)CCOCC1 ZINC000547362900 325346190 /nfs/dbraw/zinc/34/61/90/325346190.db2.gz YWUKNXKHIKWARA-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)no1 ZINC000547366634 325348325 /nfs/dbraw/zinc/34/83/25/325348325.db2.gz LVXZAZYMHPBXKP-NEPJUHHUSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)no1 ZINC000547366635 325348155 /nfs/dbraw/zinc/34/81/55/325348155.db2.gz LVXZAZYMHPBXKP-NWDGAFQWSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)no1 ZINC000547366636 325348278 /nfs/dbraw/zinc/34/82/78/325348278.db2.gz LVXZAZYMHPBXKP-RYUDHWBXSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)C[C@H](C)CC(C)C)no1 ZINC000547366637 325348101 /nfs/dbraw/zinc/34/81/01/325348101.db2.gz LVXZAZYMHPBXKP-VXGBXAGGSA-N 1 0 238.375 3.533 20 0 BHADRO CC(C)(C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547373874 325349043 /nfs/dbraw/zinc/34/90/43/325349043.db2.gz KCASPDOHVXQPKH-UHFFFAOYSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547374393 325348917 /nfs/dbraw/zinc/34/89/17/325348917.db2.gz YIALAFVEXWOGSO-AKBUMOGYSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547374394 325349025 /nfs/dbraw/zinc/34/90/25/325349025.db2.gz YIALAFVEXWOGSO-CRYBEJKASA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547374395 325348967 /nfs/dbraw/zinc/34/89/67/325348967.db2.gz YIALAFVEXWOGSO-MHABSNSOSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547374396 325349057 /nfs/dbraw/zinc/34/90/57/325349057.db2.gz YIALAFVEXWOGSO-PXZKZTPFSA-N 1 0 243.394 3.885 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547392520 325350135 /nfs/dbraw/zinc/35/01/35/325350135.db2.gz IMFLXWAVYHAYIU-IUDNXUCKSA-N 1 0 231.383 3.885 20 0 BHADRO CCC[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000547392521 325350144 /nfs/dbraw/zinc/35/01/44/325350144.db2.gz IMFLXWAVYHAYIU-JEYLPNPQSA-N 1 0 231.383 3.885 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000547392594 325350157 /nfs/dbraw/zinc/35/01/57/325350157.db2.gz QEEJBHIYBPTKEV-AQFXKWCLSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000547392595 325350099 /nfs/dbraw/zinc/35/00/99/325350099.db2.gz QEEJBHIYBPTKEV-CGZBRXJRSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000547398467 325350797 /nfs/dbraw/zinc/35/07/97/325350797.db2.gz FCDLIFYYGFEGRW-HNNXBMFYSA-N 1 0 217.356 3.870 20 0 BHADRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000547398468 325350702 /nfs/dbraw/zinc/35/07/02/325350702.db2.gz FCDLIFYYGFEGRW-OAHLLOKOSA-N 1 0 217.356 3.870 20 0 BHADRO CCC[C@@H](C)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000547412846 325351913 /nfs/dbraw/zinc/35/19/13/325351913.db2.gz BZSFYJXICVTGIK-NEPJUHHUSA-N 1 0 209.377 3.686 20 0 BHADRO CCC[C@H](C)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000547412852 325352000 /nfs/dbraw/zinc/35/20/00/325352000.db2.gz BZSFYJXICVTGIK-NWDGAFQWSA-N 1 0 209.377 3.686 20 0 BHADRO CCC[C@H](C)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000547412853 325351810 /nfs/dbraw/zinc/35/18/10/325351810.db2.gz BZSFYJXICVTGIK-RYUDHWBXSA-N 1 0 209.377 3.686 20 0 BHADRO CCC[C@@H](C)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000547412855 325351870 /nfs/dbraw/zinc/35/18/70/325351870.db2.gz BZSFYJXICVTGIK-VXGBXAGGSA-N 1 0 209.377 3.686 20 0 BHADRO CCSc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000547436555 325354257 /nfs/dbraw/zinc/35/42/57/325354257.db2.gz WRXGOVSRSWUCMN-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC2(CC2)C1 ZINC000547443238 325355762 /nfs/dbraw/zinc/35/57/62/325355762.db2.gz IIWIISOAXUHWSU-GFCCVEGCSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC2(CC2)C1 ZINC000547443239 325355553 /nfs/dbraw/zinc/35/55/53/325355553.db2.gz IIWIISOAXUHWSU-LBPRGKRZSA-N 1 0 235.396 3.555 20 0 BHADRO CCSc1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000547449336 325356401 /nfs/dbraw/zinc/35/64/01/325356401.db2.gz JJUYTSKEVOXQRL-UHFFFAOYSA-N 1 0 247.407 3.925 20 0 BHADRO CC1(C)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000547464563 325358782 /nfs/dbraw/zinc/35/87/82/325358782.db2.gz HFVQTSJMLWTWRY-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO Cc1ccc(COc2cc(C)[nH+]c(C)c2)cc1 ZINC000547491829 325363587 /nfs/dbraw/zinc/36/35/87/325363587.db2.gz MGRFZGZQNQMEMN-UHFFFAOYSA-N 1 0 227.307 3.586 20 0 BHADRO Cc1cc(OCc2ccccc2C)cc(C)[nH+]1 ZINC000547491929 325363619 /nfs/dbraw/zinc/36/36/19/325363619.db2.gz SJWZCEDHQURLIA-UHFFFAOYSA-N 1 0 227.307 3.586 20 0 BHADRO Cc1cc(OCc2ccc(F)cc2F)cc(C)[nH+]1 ZINC000547491936 325363723 /nfs/dbraw/zinc/36/37/23/325363723.db2.gz VUHMYWOOZGRYHY-UHFFFAOYSA-N 1 0 249.260 3.556 20 0 BHADRO c1ccc(CCCC[NH+]2C3CCC2CC3)cc1 ZINC000547506496 325365989 /nfs/dbraw/zinc/36/59/89/325365989.db2.gz HGTMZSHXJJFGSL-UHFFFAOYSA-N 1 0 229.367 3.636 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507063 325366031 /nfs/dbraw/zinc/36/60/31/325366031.db2.gz CHTYAHHQWOWKET-BDAKNGLRSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000547507064 325366061 /nfs/dbraw/zinc/36/60/61/325366061.db2.gz CHTYAHHQWOWKET-DTWKUNHWSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507065 325366205 /nfs/dbraw/zinc/36/62/05/325366205.db2.gz CHTYAHHQWOWKET-IUCAKERBSA-N 1 0 249.251 3.675 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507066 325365903 /nfs/dbraw/zinc/36/59/03/325365903.db2.gz CHTYAHHQWOWKET-RKDXNWHRSA-N 1 0 249.251 3.675 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000547508333 325366472 /nfs/dbraw/zinc/36/64/72/325366472.db2.gz QKHNHCXPOWEYGM-GFCCVEGCSA-N 1 0 247.357 3.897 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000547508334 325366337 /nfs/dbraw/zinc/36/63/37/325366337.db2.gz QKHNHCXPOWEYGM-LBPRGKRZSA-N 1 0 247.357 3.897 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000547508478 325366413 /nfs/dbraw/zinc/36/64/13/325366413.db2.gz MYHCMZQCIMGFPX-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000547508479 325366575 /nfs/dbraw/zinc/36/65/75/325366575.db2.gz MYHCMZQCIMGFPX-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000547508480 325366608 /nfs/dbraw/zinc/36/66/08/325366608.db2.gz MYHCMZQCIMGFPX-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000547508481 325366399 /nfs/dbraw/zinc/36/63/99/325366399.db2.gz MYHCMZQCIMGFPX-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccsc1)Cc1ccccc1 ZINC000547516734 325367360 /nfs/dbraw/zinc/36/73/60/325367360.db2.gz YTJOGHWRQLUOFN-CYBMUJFWSA-N 1 0 245.391 3.717 20 0 BHADRO C[C@H](C[NH2+]Cc1ccsc1)Cc1ccccc1 ZINC000547516735 325367463 /nfs/dbraw/zinc/36/74/63/325367463.db2.gz YTJOGHWRQLUOFN-ZDUSSCGKSA-N 1 0 245.391 3.717 20 0 BHADRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C1CCCC1 ZINC000547518677 325368285 /nfs/dbraw/zinc/36/82/85/325368285.db2.gz YQMWVNIFOWVAOL-GXSJLCMTSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C1CCCC1 ZINC000547518678 325368283 /nfs/dbraw/zinc/36/82/83/325368283.db2.gz YQMWVNIFOWVAOL-KOLCDFICSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C1CCCC1 ZINC000547518679 325368301 /nfs/dbraw/zinc/36/83/01/325368301.db2.gz YQMWVNIFOWVAOL-MWLCHTKSSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C1CCCC1 ZINC000547518680 325368253 /nfs/dbraw/zinc/36/82/53/325368253.db2.gz YQMWVNIFOWVAOL-ONGXEEELSA-N 1 0 235.293 3.592 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000547525118 325369298 /nfs/dbraw/zinc/36/92/98/325369298.db2.gz BLIXLKPSUAIYMT-MBNYWOFBSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000547525119 325369451 /nfs/dbraw/zinc/36/94/51/325369451.db2.gz BLIXLKPSUAIYMT-OUCADQQQSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000547525120 325369398 /nfs/dbraw/zinc/36/93/98/325369398.db2.gz BLIXLKPSUAIYMT-SGMGOOAPSA-N 1 0 237.412 3.800 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000547525121 325369594 /nfs/dbraw/zinc/36/95/94/325369594.db2.gz BLIXLKPSUAIYMT-YRGRVCCFSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000547607154 323254611 /nfs/dbraw/zinc/25/46/11/323254611.db2.gz APISQZNMYUYPNU-GFCCVEGCSA-N 1 0 221.319 3.590 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000547607155 323254796 /nfs/dbraw/zinc/25/47/96/323254796.db2.gz APISQZNMYUYPNU-LBPRGKRZSA-N 1 0 221.319 3.590 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000547607466 325374982 /nfs/dbraw/zinc/37/49/82/325374982.db2.gz YXWFDRJFADSGQJ-LLVKDONJSA-N 1 0 239.309 3.729 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000547607468 325375094 /nfs/dbraw/zinc/37/50/94/325375094.db2.gz YXWFDRJFADSGQJ-NSHDSACASA-N 1 0 239.309 3.729 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000547607495 325374962 /nfs/dbraw/zinc/37/49/62/325374962.db2.gz ZINQSSNOXKABLI-CYBMUJFWSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000547607496 325375052 /nfs/dbraw/zinc/37/50/52/325375052.db2.gz ZINQSSNOXKABLI-ZDUSSCGKSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000547607598 325375117 /nfs/dbraw/zinc/37/51/17/325375117.db2.gz WJPUASLGMZYHNX-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000547607599 325375108 /nfs/dbraw/zinc/37/51/08/325375108.db2.gz WJPUASLGMZYHNX-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000547607600 325373156 /nfs/dbraw/zinc/37/31/56/325373156.db2.gz WJPUASLGMZYHNX-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000547607601 325373412 /nfs/dbraw/zinc/37/34/12/325373412.db2.gz WJPUASLGMZYHNX-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO Cc1ccc(C[N@H+]2CCCCC[C@H]2C)s1 ZINC000547607610 325375068 /nfs/dbraw/zinc/37/50/68/325375068.db2.gz YHECWCFTAMEXGD-LLVKDONJSA-N 1 0 223.385 3.821 20 0 BHADRO Cc1ccc(C[N@H+]2CCCCC[C@@H]2C)s1 ZINC000547607611 325374899 /nfs/dbraw/zinc/37/48/99/325374899.db2.gz YHECWCFTAMEXGD-NSHDSACASA-N 1 0 223.385 3.821 20 0 BHADRO CCC(CC)[N@H+](Cc1ncccc1C)C1CC1 ZINC000547644880 325378353 /nfs/dbraw/zinc/37/83/53/325378353.db2.gz JOMNLEKYIFDTMS-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000547716862 325387688 /nfs/dbraw/zinc/38/76/88/325387688.db2.gz HZPFKHPJNXTEDG-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO COc1ccc(C)cc1C[NH2+]CC1CC(C)(C)C1 ZINC000547716914 325387685 /nfs/dbraw/zinc/38/76/85/325387685.db2.gz AWIDZMZTUYLCBZ-UHFFFAOYSA-N 1 0 247.382 3.529 20 0 BHADRO CC1(C)CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000547717308 325387741 /nfs/dbraw/zinc/38/77/41/325387741.db2.gz CGVBCLZRXURXHA-RMKNXTFCSA-N 1 0 229.367 3.726 20 0 BHADRO CC1(C)CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000547717309 325387757 /nfs/dbraw/zinc/38/77/57/325387757.db2.gz CGVBCLZRXURXHA-TWGQIWQCSA-N 1 0 229.367 3.726 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000547718094 325387580 /nfs/dbraw/zinc/38/75/80/325387580.db2.gz JIXRDDVVMOZBKB-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ncccc1C ZINC000547746531 325391368 /nfs/dbraw/zinc/39/13/68/325391368.db2.gz FMDIAXVSWWPZGM-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ncccc1C ZINC000547746532 325391266 /nfs/dbraw/zinc/39/12/66/325391266.db2.gz FMDIAXVSWWPZGM-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ncccc1C ZINC000547746533 325391202 /nfs/dbraw/zinc/39/12/02/325391202.db2.gz FMDIAXVSWWPZGM-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ncccc1C ZINC000547746534 325391111 /nfs/dbraw/zinc/39/11/11/325391111.db2.gz FMDIAXVSWWPZGM-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cnccc1C ZINC000547747745 325391185 /nfs/dbraw/zinc/39/11/85/325391185.db2.gz ZZYPFAIMFGBKBH-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cnccc1C ZINC000547747746 325391069 /nfs/dbraw/zinc/39/10/69/325391069.db2.gz ZZYPFAIMFGBKBH-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cnccc1C ZINC000547747747 325391138 /nfs/dbraw/zinc/39/11/38/325391138.db2.gz ZZYPFAIMFGBKBH-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cnccc1C ZINC000547747748 325391239 /nfs/dbraw/zinc/39/12/39/325391239.db2.gz ZZYPFAIMFGBKBH-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO FC(F)c1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000547766722 325393549 /nfs/dbraw/zinc/39/35/49/325393549.db2.gz LIHSANYXKFULRZ-UHFFFAOYSA-N 1 0 237.293 3.751 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc2ccccc21 ZINC000547768607 325394231 /nfs/dbraw/zinc/39/42/31/325394231.db2.gz FEWBJWOHHMPMII-BETUJISGSA-N 1 0 225.335 3.823 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc2ccccc21 ZINC000547768608 325394352 /nfs/dbraw/zinc/39/43/52/325394352.db2.gz FEWBJWOHHMPMII-CHWSQXEVSA-N 1 0 225.335 3.823 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc2ccccc21 ZINC000547768609 325394493 /nfs/dbraw/zinc/39/44/93/325394493.db2.gz FEWBJWOHHMPMII-STQMWFEESA-N 1 0 225.335 3.823 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[NH+]1[C@@H](C)C[C@@H]1C ZINC000547768877 323345131 /nfs/dbraw/zinc/34/51/31/323345131.db2.gz PBDJZGBIQHQTCH-COPLHBTASA-N 1 0 221.319 3.760 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[NH+]1[C@H](C)C[C@H]1C ZINC000547768878 323345272 /nfs/dbraw/zinc/34/52/72/323345272.db2.gz PBDJZGBIQHQTCH-JTNHKYCSSA-N 1 0 221.319 3.760 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768879 323344965 /nfs/dbraw/zinc/34/49/65/323344965.db2.gz PBDJZGBIQHQTCH-UHIISALHSA-N 1 0 221.319 3.760 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768880 323345015 /nfs/dbraw/zinc/34/50/15/323345015.db2.gz PBDJZGBIQHQTCH-WDMOLILDSA-N 1 0 221.319 3.760 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCCSCc1ccccc1 ZINC000547769131 325394477 /nfs/dbraw/zinc/39/44/77/325394477.db2.gz WXJSFDPRMGTVNT-KBPBESRZSA-N 1 0 249.423 3.793 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCCSCc1ccccc1 ZINC000547769132 325394612 /nfs/dbraw/zinc/39/46/12/325394612.db2.gz WXJSFDPRMGTVNT-OKILXGFUSA-N 1 0 249.423 3.793 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCCSCc1ccccc1 ZINC000547769133 325395063 /nfs/dbraw/zinc/39/50/63/325395063.db2.gz WXJSFDPRMGTVNT-ZIAGYGMSSA-N 1 0 249.423 3.793 20 0 BHADRO Cc1cc(C)cc(OCCC[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000547769291 325394958 /nfs/dbraw/zinc/39/49/58/325394958.db2.gz ALKYXDCHHIFFIF-GASCZTMLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cc(C)cc(OCCC[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000547769292 325394722 /nfs/dbraw/zinc/39/47/22/325394722.db2.gz ALKYXDCHHIFFIF-GJZGRUSLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cc(C)cc(OCCC[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000547769293 325394807 /nfs/dbraw/zinc/39/48/07/325394807.db2.gz ALKYXDCHHIFFIF-HUUCEWRRSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCc2c1cccc2Cl ZINC000547769410 325394940 /nfs/dbraw/zinc/39/49/40/325394940.db2.gz QETKXYRTGVWWGQ-GPCCPHFNSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CCc2c1cccc2Cl ZINC000547769411 325395023 /nfs/dbraw/zinc/39/50/23/325395023.db2.gz QETKXYRTGVWWGQ-ISTVAULSSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CCc2c1cccc2Cl ZINC000547769412 325395036 /nfs/dbraw/zinc/39/50/36/325395036.db2.gz QETKXYRTGVWWGQ-RBZYPMLTSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@H]1CCc2c1cccc2Cl ZINC000547769413 325394764 /nfs/dbraw/zinc/39/47/64/325394764.db2.gz QETKXYRTGVWWGQ-RULNRJAQSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccccc1C(F)(F)F ZINC000547769450 325394929 /nfs/dbraw/zinc/39/49/29/325394929.db2.gz WJRVYWVWVVSSAH-AOOOYVTPSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccccc1C(F)(F)F ZINC000547769451 325394799 /nfs/dbraw/zinc/39/47/99/325394799.db2.gz WJRVYWVWVVSSAH-NXEZZACHSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccccc1C(F)(F)F ZINC000547769452 325395011 /nfs/dbraw/zinc/39/50/11/325395011.db2.gz WJRVYWVWVVSSAH-UWVGGRQHSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCc1ccc2ccccc2c1 ZINC000547769516 325394816 /nfs/dbraw/zinc/39/48/16/325394816.db2.gz GGKWACQLOYVKGW-KBPBESRZSA-N 1 0 239.362 3.865 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCc1ccc2ccccc2c1 ZINC000547769517 325394889 /nfs/dbraw/zinc/39/48/89/325394889.db2.gz GGKWACQLOYVKGW-OKILXGFUSA-N 1 0 239.362 3.865 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCc1ccc2ccccc2c1 ZINC000547769518 325394987 /nfs/dbraw/zinc/39/49/87/325394987.db2.gz GGKWACQLOYVKGW-ZIAGYGMSSA-N 1 0 239.362 3.865 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769900 325394982 /nfs/dbraw/zinc/39/49/82/325394982.db2.gz ZVCKIGKLYFXZCH-AEJSXWLSSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[NH+]1[C@H](C)C[C@H]1C ZINC000547769901 325395048 /nfs/dbraw/zinc/39/50/48/325395048.db2.gz ZVCKIGKLYFXZCH-BBBLOLIVSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769902 325394735 /nfs/dbraw/zinc/39/47/35/325394735.db2.gz ZVCKIGKLYFXZCH-KXUCPTDWSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[NH+]1[C@H](C)C[C@H]1C ZINC000547769903 325395059 /nfs/dbraw/zinc/39/50/59/325395059.db2.gz ZVCKIGKLYFXZCH-OPRDCNLKSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCc1c(F)cccc1Cl ZINC000547769958 325395118 /nfs/dbraw/zinc/39/51/18/325395118.db2.gz IQKPZEAFWYTLRU-AOOOYVTPSA-N 1 0 241.737 3.504 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCc1c(F)cccc1Cl ZINC000547769959 325395026 /nfs/dbraw/zinc/39/50/26/325395026.db2.gz IQKPZEAFWYTLRU-NXEZZACHSA-N 1 0 241.737 3.504 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCc1c(F)cccc1Cl ZINC000547769960 325395021 /nfs/dbraw/zinc/39/50/21/325395021.db2.gz IQKPZEAFWYTLRU-UWVGGRQHSA-N 1 0 241.737 3.504 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@H]1CCCc2ccccc21 ZINC000547770025 325395055 /nfs/dbraw/zinc/39/50/55/325395055.db2.gz VNFLSDMFXUSFOF-JMSVASOKSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCCc2ccccc21 ZINC000547770026 325395053 /nfs/dbraw/zinc/39/50/53/325395053.db2.gz VNFLSDMFXUSFOF-LALPHHSUSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000547770027 325395546 /nfs/dbraw/zinc/39/55/46/325395546.db2.gz VNFLSDMFXUSFOF-TYNCELHUSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CCCc2ccccc21 ZINC000547770028 325395439 /nfs/dbraw/zinc/39/54/39/325395439.db2.gz VNFLSDMFXUSFOF-ZOWXZIJZSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000547770066 325395561 /nfs/dbraw/zinc/39/55/61/325395561.db2.gz BCNYTSJOSSDJAZ-AOOOYVTPSA-N 1 0 225.282 3.607 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C(F)F)cc1 ZINC000547770067 325395459 /nfs/dbraw/zinc/39/54/59/325395459.db2.gz BCNYTSJOSSDJAZ-NXEZZACHSA-N 1 0 225.282 3.607 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C(F)F)cc1 ZINC000547770068 325395685 /nfs/dbraw/zinc/39/56/85/325395685.db2.gz BCNYTSJOSSDJAZ-UWVGGRQHSA-N 1 0 225.282 3.607 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(C)ccc1OC ZINC000547771421 325395745 /nfs/dbraw/zinc/39/57/45/325395745.db2.gz ZRRPAMUFGUELBL-UHFFFAOYSA-N 1 0 235.371 3.624 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccccc1C ZINC000547771503 325395535 /nfs/dbraw/zinc/39/55/35/325395535.db2.gz XFBIHMCALWKVNP-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc(C)c1 ZINC000547771642 325396262 /nfs/dbraw/zinc/39/62/62/325396262.db2.gz OGUGMEHQDBGDMN-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc(F)c1F ZINC000547771960 325395959 /nfs/dbraw/zinc/39/59/59/325395959.db2.gz HXVMQLQZKPTCEI-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO Cc1cc(OCCCc2ccsc2)cc(C)[nH+]1 ZINC000547814407 388487151 /nfs/dbraw/zinc/48/71/51/388487151.db2.gz ZRMPVFBKOBMYBG-UHFFFAOYSA-N 1 0 247.363 3.772 20 0 BHADRO Cc1cc(OCc2cc(F)ccc2F)cc(C)[nH+]1 ZINC000547814670 388487260 /nfs/dbraw/zinc/48/72/60/388487260.db2.gz KVYAHSVWBGOQHO-UHFFFAOYSA-N 1 0 249.260 3.556 20 0 BHADRO Cc1cc(OCc2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000547814844 388486653 /nfs/dbraw/zinc/48/66/53/388486653.db2.gz SUVLDSNDRCIRGB-UHFFFAOYSA-N 1 0 249.260 3.556 20 0 BHADRO CCCc1cccc(C[NH2+]CCOC(C)(C)C)c1 ZINC000547822427 325404742 /nfs/dbraw/zinc/40/47/42/325404742.db2.gz BHIBLUGHVGWNOZ-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CCCC1(C)C ZINC000547829450 323374949 /nfs/dbraw/zinc/37/49/49/323374949.db2.gz AUCVVGKMJBIDPQ-UHFFFAOYSA-N 1 0 221.319 3.509 20 0 BHADRO CC(C)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000547830163 388490596 /nfs/dbraw/zinc/49/05/96/388490596.db2.gz OTDZFGGHCSMQCQ-AWEZNQCLSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000547830164 325406160 /nfs/dbraw/zinc/40/61/60/325406160.db2.gz OTDZFGGHCSMQCQ-CQSZACIVSA-N 1 0 231.383 3.885 20 0 BHADRO CC[C@H](C)[N@H+](C)CCCCc1ccccc1 ZINC000547831429 388489940 /nfs/dbraw/zinc/48/99/40/388489940.db2.gz MLSJVHYLUYEZPW-AWEZNQCLSA-N 1 0 219.372 3.740 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCCCc1ccccc1 ZINC000547831430 388490895 /nfs/dbraw/zinc/49/08/95/388490895.db2.gz MLSJVHYLUYEZPW-CQSZACIVSA-N 1 0 219.372 3.740 20 0 BHADRO CCC(CC)[N@H+](Cc1ccc(C)nc1C)C1CC1 ZINC000547831581 388489962 /nfs/dbraw/zinc/48/99/62/388489962.db2.gz SJHZRNGJROSNAP-UHFFFAOYSA-N 1 0 246.398 3.851 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000547831758 325406641 /nfs/dbraw/zinc/40/66/41/325406641.db2.gz KCWHKSZHEJWJFT-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000547831759 388489986 /nfs/dbraw/zinc/48/99/86/388489986.db2.gz KCWHKSZHEJWJFT-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000547831760 325406578 /nfs/dbraw/zinc/40/65/78/325406578.db2.gz KCWHKSZHEJWJFT-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000547831761 388490194 /nfs/dbraw/zinc/49/01/94/388490194.db2.gz KCWHKSZHEJWJFT-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(C)C ZINC000547831934 325406574 /nfs/dbraw/zinc/40/65/74/325406574.db2.gz YYTCQKDFAFCFTE-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCOC(C)C ZINC000547831935 388490705 /nfs/dbraw/zinc/49/07/05/388490705.db2.gz YYTCQKDFAFCFTE-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC000547831936 325406654 /nfs/dbraw/zinc/40/66/54/325406654.db2.gz YYTCQKDFAFCFTE-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC000547831937 325406348 /nfs/dbraw/zinc/40/63/48/325406348.db2.gz YYTCQKDFAFCFTE-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000547832652 388490454 /nfs/dbraw/zinc/49/04/54/388490454.db2.gz XGBXWGFDWVOKGP-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000547832653 325406826 /nfs/dbraw/zinc/40/68/26/325406826.db2.gz XGBXWGFDWVOKGP-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000547832654 325406973 /nfs/dbraw/zinc/40/69/73/325406973.db2.gz XGBXWGFDWVOKGP-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000547832655 388490430 /nfs/dbraw/zinc/49/04/30/388490430.db2.gz XGBXWGFDWVOKGP-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]([NH2+]CC1CC1)C1(c2ccccc2)CCCC1 ZINC000547841616 325408219 /nfs/dbraw/zinc/40/82/19/325408219.db2.gz SZNKMWWOFZNHSO-AWEZNQCLSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)C1(c2ccccc2)CCCC1 ZINC000547841617 388491777 /nfs/dbraw/zinc/49/17/77/388491777.db2.gz SZNKMWWOFZNHSO-CQSZACIVSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000547854228 388492724 /nfs/dbraw/zinc/49/27/24/388492724.db2.gz WPJCUJICDMZKJA-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000547854229 388492741 /nfs/dbraw/zinc/49/27/41/388492741.db2.gz WPJCUJICDMZKJA-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000547854230 388492493 /nfs/dbraw/zinc/49/24/93/388492493.db2.gz WPJCUJICDMZKJA-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000547854231 388492886 /nfs/dbraw/zinc/49/28/86/388492886.db2.gz WPJCUJICDMZKJA-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCCC[C@H]2C)o1 ZINC000547928338 388495431 /nfs/dbraw/zinc/49/54/31/388495431.db2.gz TXNDPPAWBCCCAT-GFCCVEGCSA-N 1 0 221.344 3.607 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCCC[C@@H]2C)o1 ZINC000547928339 388495124 /nfs/dbraw/zinc/49/51/24/388495124.db2.gz TXNDPPAWBCCCAT-LBPRGKRZSA-N 1 0 221.344 3.607 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1F ZINC000547928389 388495800 /nfs/dbraw/zinc/49/58/00/388495800.db2.gz DCOOZVPONZLYKH-GFCCVEGCSA-N 1 0 221.319 3.590 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccccc1F ZINC000547928390 388495360 /nfs/dbraw/zinc/49/53/60/388495360.db2.gz DCOOZVPONZLYKH-LBPRGKRZSA-N 1 0 221.319 3.590 20 0 BHADRO Fc1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1 ZINC000547928797 388495763 /nfs/dbraw/zinc/49/57/63/388495763.db2.gz FRSPJKKFPGMXTR-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC000547931108 388495367 /nfs/dbraw/zinc/49/53/67/388495367.db2.gz UUSVRPMTZIBPMC-GFCCVEGCSA-N 1 0 221.319 3.590 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC000547931109 388495381 /nfs/dbraw/zinc/49/53/81/388495381.db2.gz UUSVRPMTZIBPMC-LBPRGKRZSA-N 1 0 221.319 3.590 20 0 BHADRO Cc1ccsc1C[N@H+]1CCCCC[C@H]1C ZINC000547931333 388496170 /nfs/dbraw/zinc/49/61/70/388496170.db2.gz JBIVZYMIIDUQGI-GFCCVEGCSA-N 1 0 223.385 3.821 20 0 BHADRO Cc1ccsc1C[N@H+]1CCCCC[C@@H]1C ZINC000547931334 388496175 /nfs/dbraw/zinc/49/61/75/388496175.db2.gz JBIVZYMIIDUQGI-LBPRGKRZSA-N 1 0 223.385 3.821 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000547947637 325413749 /nfs/dbraw/zinc/41/37/49/325413749.db2.gz DXUVOCAYNXBKAX-LLVKDONJSA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000547947640 388497788 /nfs/dbraw/zinc/49/77/88/388497788.db2.gz DXUVOCAYNXBKAX-NSHDSACASA-N 1 0 246.379 3.913 20 0 BHADRO CCCC[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000547972351 487715276 /nfs/dbraw/zinc/71/52/76/487715276.db2.gz MJCZYLDVHPIIEO-GFCCVEGCSA-N 1 0 225.401 3.801 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000547972352 487714974 /nfs/dbraw/zinc/71/49/74/487714974.db2.gz MJCZYLDVHPIIEO-LBPRGKRZSA-N 1 0 225.401 3.801 20 0 BHADRO CC[N@H+](CC=C(C)C)[C@H](C)Cc1ccsc1 ZINC000547974086 398135087 /nfs/dbraw/zinc/13/50/87/398135087.db2.gz UTWMIZMFAJFMPY-CYBMUJFWSA-N 1 0 237.412 3.967 20 0 BHADRO CC[N@H+](CC=C(C)C)[C@@H](C)Cc1ccsc1 ZINC000547974087 398135602 /nfs/dbraw/zinc/13/56/02/398135602.db2.gz UTWMIZMFAJFMPY-ZDUSSCGKSA-N 1 0 237.412 3.967 20 0 BHADRO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C(C)(C)C1 ZINC000548066370 388508429 /nfs/dbraw/zinc/50/84/29/388508429.db2.gz CBTZEPOPIBGQAM-JTQLQIEISA-N 1 0 239.309 3.585 20 0 BHADRO C[C@H]1C[N@H+](Cc2c(F)cccc2F)C(C)(C)C1 ZINC000548066371 388508676 /nfs/dbraw/zinc/50/86/76/388508676.db2.gz CBTZEPOPIBGQAM-SNVBAGLBSA-N 1 0 239.309 3.585 20 0 BHADRO CCCC[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000548075645 388508005 /nfs/dbraw/zinc/50/80/05/388508005.db2.gz ZXNGYHMRNRUTCI-UHFFFAOYSA-N 1 0 247.382 3.675 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCCc1ccc(Cl)cc1 ZINC000548096374 325428326 /nfs/dbraw/zinc/42/83/26/325428326.db2.gz NQTUVHWUKUAESC-RYUDHWBXSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCCc1ccc(Cl)cc1 ZINC000548096375 388509640 /nfs/dbraw/zinc/50/96/40/388509640.db2.gz NQTUVHWUKUAESC-TXEJJXNPSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCCc1ccc(Cl)cc1 ZINC000548096376 388509674 /nfs/dbraw/zinc/50/96/74/388509674.db2.gz NQTUVHWUKUAESC-VXGBXAGGSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096591 388511351 /nfs/dbraw/zinc/51/13/51/388511351.db2.gz KUUWZRQGBNAZJR-AXFHLTTASA-N 1 0 223.747 3.884 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548096592 325428899 /nfs/dbraw/zinc/42/88/99/325428899.db2.gz KUUWZRQGBNAZJR-GMTAPVOTSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548096593 325428697 /nfs/dbraw/zinc/42/86/97/325428697.db2.gz KUUWZRQGBNAZJR-MXWKQRLJSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096594 388509362 /nfs/dbraw/zinc/50/93/62/388509362.db2.gz KUUWZRQGBNAZJR-OUAUKWLOSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc2ccccc2c1 ZINC000548097292 388511159 /nfs/dbraw/zinc/51/11/59/388511159.db2.gz WEJQSCQBIJHVOT-BETUJISGSA-N 1 0 225.335 3.823 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc2ccccc2c1 ZINC000548097293 325429457 /nfs/dbraw/zinc/42/94/57/325429457.db2.gz WEJQSCQBIJHVOT-CHWSQXEVSA-N 1 0 225.335 3.823 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc2ccccc2c1 ZINC000548097294 388511051 /nfs/dbraw/zinc/51/10/51/388511051.db2.gz WEJQSCQBIJHVOT-STQMWFEESA-N 1 0 225.335 3.823 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548097419 388510722 /nfs/dbraw/zinc/51/07/22/388510722.db2.gz APWXFBUBDVHRMJ-AXFHLTTASA-N 1 0 223.747 3.884 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[NH+]1[C@H](C)C[C@H]1C ZINC000548097420 388511436 /nfs/dbraw/zinc/51/14/36/388511436.db2.gz APWXFBUBDVHRMJ-GMTAPVOTSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[NH+]1[C@H](C)C[C@H]1C ZINC000548097421 388510940 /nfs/dbraw/zinc/51/09/40/388510940.db2.gz APWXFBUBDVHRMJ-MXWKQRLJSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548097422 388511374 /nfs/dbraw/zinc/51/13/74/388511374.db2.gz APWXFBUBDVHRMJ-OUAUKWLOSA-N 1 0 223.747 3.884 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000548097763 388511976 /nfs/dbraw/zinc/51/19/76/388511976.db2.gz UOWGDJZSAFZEMJ-AOOOYVTPSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(C(F)(F)F)c1 ZINC000548097764 388512784 /nfs/dbraw/zinc/51/27/84/388512784.db2.gz UOWGDJZSAFZEMJ-NXEZZACHSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(C(F)(F)F)c1 ZINC000548097765 325429333 /nfs/dbraw/zinc/42/93/33/325429333.db2.gz UOWGDJZSAFZEMJ-UWVGGRQHSA-N 1 0 243.272 3.688 20 0 BHADRO Cc1ccc(OCCC[N@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000548097806 388512031 /nfs/dbraw/zinc/51/20/31/388512031.db2.gz AUYRDHPNDZGUIB-GASCZTMLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc(OCCC[NH+]2[C@@H](C)C[C@@H]2C)cc1C ZINC000548097807 325429331 /nfs/dbraw/zinc/42/93/31/325429331.db2.gz AUYRDHPNDZGUIB-GJZGRUSLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc(OCCC[NH+]2[C@H](C)C[C@H]2C)cc1C ZINC000548097808 388512294 /nfs/dbraw/zinc/51/22/94/388512294.db2.gz AUYRDHPNDZGUIB-HUUCEWRRSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc(C[NH+]2[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000548097887 325429532 /nfs/dbraw/zinc/42/95/32/325429532.db2.gz MEGMJPIRMYPXOY-GHMZBOCLSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000548097888 388512375 /nfs/dbraw/zinc/51/23/75/388512375.db2.gz MEGMJPIRMYPXOY-PHIMTYICSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000548097889 388512475 /nfs/dbraw/zinc/51/24/75/388512475.db2.gz MEGMJPIRMYPXOY-QWRGUYRKSA-N 1 0 223.747 3.631 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CC1CCC(C(F)(F)F)CC1 ZINC000548098091 325429909 /nfs/dbraw/zinc/42/99/09/325429909.db2.gz KZOYATHVJKDMNR-JYBOHDQNSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CC1CCC(C(F)(F)F)CC1 ZINC000548098092 325429859 /nfs/dbraw/zinc/42/98/59/325429859.db2.gz KZOYATHVJKDMNR-QYNFOATHSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000548098093 388512234 /nfs/dbraw/zinc/51/22/34/388512234.db2.gz KZOYATHVJKDMNR-ZYANWLCNSA-N 1 0 249.320 3.838 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@H]1CCCc2ccc(F)cc21 ZINC000548098668 325430155 /nfs/dbraw/zinc/43/01/55/325430155.db2.gz VVANQDPSKTWYNA-HFAKWTLXSA-N 1 0 233.330 3.686 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000548098669 388511930 /nfs/dbraw/zinc/51/19/30/388511930.db2.gz VVANQDPSKTWYNA-JRPNMDOOSA-N 1 0 233.330 3.686 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000548098670 388512579 /nfs/dbraw/zinc/51/25/79/388512579.db2.gz VVANQDPSKTWYNA-RWSFTLGLSA-N 1 0 233.330 3.686 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000548098671 388511730 /nfs/dbraw/zinc/51/17/30/388511730.db2.gz VVANQDPSKTWYNA-UEKVPHQBSA-N 1 0 233.330 3.686 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCc1cccc(OC)c1 ZINC000548099036 388512008 /nfs/dbraw/zinc/51/20/08/388512008.db2.gz PNONXNOEBQMQPY-UHFFFAOYSA-N 1 0 249.398 3.748 20 0 BHADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C ZINC000548099785 388512164 /nfs/dbraw/zinc/51/21/64/388512164.db2.gz RMLWLTDIQVFGCS-NXEZZACHSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C ZINC000548099786 388511609 /nfs/dbraw/zinc/51/16/09/388511609.db2.gz RMLWLTDIQVFGCS-UWVGGRQHSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C ZINC000548099787 388511685 /nfs/dbraw/zinc/51/16/85/388511685.db2.gz RMLWLTDIQVFGCS-VHSXEESVSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C ZINC000548099788 388511593 /nfs/dbraw/zinc/51/15/93/388511593.db2.gz RMLWLTDIQVFGCS-ZJUUUORDSA-N 1 0 237.309 3.695 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000548114111 388513550 /nfs/dbraw/zinc/51/35/50/388513550.db2.gz UTKVHRPCGCWTQT-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000548114112 388513990 /nfs/dbraw/zinc/51/39/90/388513990.db2.gz UTKVHRPCGCWTQT-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000548114113 388513707 /nfs/dbraw/zinc/51/37/07/388513707.db2.gz UTKVHRPCGCWTQT-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)[C@@H]1C ZINC000548114114 388513388 /nfs/dbraw/zinc/51/33/88/388513388.db2.gz UTKVHRPCGCWTQT-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO Cc1cc(OCc2cccc(F)c2F)cc(C)[nH+]1 ZINC000548142476 325435229 /nfs/dbraw/zinc/43/52/29/325435229.db2.gz QEOGXUDASPTALU-UHFFFAOYSA-N 1 0 249.260 3.556 20 0 BHADRO Cc1cc(OCc2ccc(F)cc2C)cc(C)[nH+]1 ZINC000548142572 388516381 /nfs/dbraw/zinc/51/63/81/388516381.db2.gz PKQCTKGGGCGEMF-UHFFFAOYSA-N 1 0 245.297 3.725 20 0 BHADRO CCCc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000548149743 325435843 /nfs/dbraw/zinc/43/58/43/325435843.db2.gz ZRJJUFMZYAMMNK-UHFFFAOYSA-N 1 0 229.367 3.671 20 0 BHADRO Cc1cc(F)ccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000548157791 388518822 /nfs/dbraw/zinc/51/88/22/388518822.db2.gz HHATXVNVVKVVBX-RYUDHWBXSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1cc(F)ccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000548157792 388518678 /nfs/dbraw/zinc/51/86/78/388518678.db2.gz HHATXVNVVKVVBX-TXEJJXNPSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1cc(F)ccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000548157793 325437202 /nfs/dbraw/zinc/43/72/02/325437202.db2.gz HHATXVNVVKVVBX-VXGBXAGGSA-N 1 0 221.319 3.507 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](CC1CC1)C(C)C ZINC000548158162 388518834 /nfs/dbraw/zinc/51/88/34/388518834.db2.gz WOJZRGVBMUVMAS-UHFFFAOYSA-N 1 0 235.346 3.755 20 0 BHADRO CCC(CC)[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000548159153 388518700 /nfs/dbraw/zinc/51/87/00/388518700.db2.gz ZSYTVFXNFPLATL-AWEZNQCLSA-N 1 0 239.403 3.597 20 0 BHADRO CCC(CC)[N@H+](C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000548159154 388518732 /nfs/dbraw/zinc/51/87/32/388518732.db2.gz ZSYTVFXNFPLATL-CQSZACIVSA-N 1 0 239.403 3.597 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+](C(C)C)C1CCC1 ZINC000548159231 388518808 /nfs/dbraw/zinc/51/88/08/388518808.db2.gz GSTLUONTZSRMMR-UHFFFAOYSA-N 1 0 235.346 3.897 20 0 BHADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000548168255 325438201 /nfs/dbraw/zinc/43/82/01/325438201.db2.gz IJHBPHGADUJOLF-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC(C)(C)C ZINC000548168256 325438150 /nfs/dbraw/zinc/43/81/50/325438150.db2.gz IJHBPHGADUJOLF-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000548168257 398137101 /nfs/dbraw/zinc/13/71/01/398137101.db2.gz IJHBPHGADUJOLF-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC(C)(C)C ZINC000548168258 325438191 /nfs/dbraw/zinc/43/81/91/325438191.db2.gz IJHBPHGADUJOLF-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000548168644 387296201 /nfs/dbraw/zinc/29/62/01/387296201.db2.gz GVNDYZVMTUARMB-GHMZBOCLSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000548168645 387294896 /nfs/dbraw/zinc/29/48/96/387294896.db2.gz GVNDYZVMTUARMB-MNOVXSKESA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000548168646 387296103 /nfs/dbraw/zinc/29/61/03/387296103.db2.gz GVNDYZVMTUARMB-QWRGUYRKSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000548168647 387295831 /nfs/dbraw/zinc/29/58/31/387295831.db2.gz GVNDYZVMTUARMB-WDEREUQCSA-N 1 0 235.293 3.615 20 0 BHADRO CCCc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000548170231 388519309 /nfs/dbraw/zinc/51/93/09/388519309.db2.gz FJSXVWPILFATCA-UHFFFAOYSA-N 1 0 249.423 3.578 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCCC[C@H]1C ZINC000548258726 388523708 /nfs/dbraw/zinc/52/37/08/388523708.db2.gz UKWGASKYCRIOAC-CHWSQXEVSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCCC[C@H]1C ZINC000548258760 388523325 /nfs/dbraw/zinc/52/33/25/388523325.db2.gz UKWGASKYCRIOAC-OLZOCXBDSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCCC[C@@H]1C ZINC000548258762 388523728 /nfs/dbraw/zinc/52/37/28/388523728.db2.gz UKWGASKYCRIOAC-QWHCGFSZSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCCC[C@@H]1C ZINC000548258763 388523128 /nfs/dbraw/zinc/52/31/28/388523128.db2.gz UKWGASKYCRIOAC-STQMWFEESA-N 1 0 237.412 3.944 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000548259137 388523074 /nfs/dbraw/zinc/52/30/74/388523074.db2.gz LGDIRDBLSZPUCX-AWEZNQCLSA-N 1 0 246.398 3.517 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000548259138 388522869 /nfs/dbraw/zinc/52/28/69/388522869.db2.gz LGDIRDBLSZPUCX-CQSZACIVSA-N 1 0 246.398 3.517 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1F ZINC000548259201 388522977 /nfs/dbraw/zinc/52/29/77/388522977.db2.gz YPNXQSQSKAMNAU-LLVKDONJSA-N 1 0 239.309 3.729 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1F ZINC000548259202 388523079 /nfs/dbraw/zinc/52/30/79/388523079.db2.gz YPNXQSQSKAMNAU-NSHDSACASA-N 1 0 239.309 3.729 20 0 BHADRO CC(C)=CC[NH+]1CCC(c2ccsc2)CC1 ZINC000548267725 388524315 /nfs/dbraw/zinc/52/43/15/388524315.db2.gz PEJVBQRARJGHIX-UHFFFAOYSA-N 1 0 235.396 3.894 20 0 BHADRO CC[N@H+]([C@H](C)Cc1ccsc1)C1CCCC1 ZINC000548301857 388527355 /nfs/dbraw/zinc/52/73/55/388527355.db2.gz XDTLUMAZRPIIBV-GFCCVEGCSA-N 1 0 237.412 3.944 20 0 BHADRO CC[N@H+]([C@@H](C)Cc1ccsc1)C1CCCC1 ZINC000548301858 388527174 /nfs/dbraw/zinc/52/71/74/388527174.db2.gz XDTLUMAZRPIIBV-LBPRGKRZSA-N 1 0 237.412 3.944 20 0 BHADRO CC1(C)CC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000548372587 388531433 /nfs/dbraw/zinc/53/14/33/388531433.db2.gz DWBAQWAXHAOJBH-CVEARBPZSA-N 1 0 243.394 3.816 20 0 BHADRO CC1(C)CC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000548372588 325451601 /nfs/dbraw/zinc/45/16/01/325451601.db2.gz DWBAQWAXHAOJBH-HOTGVXAUSA-N 1 0 243.394 3.816 20 0 BHADRO CC1(C)CC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000548372589 325451609 /nfs/dbraw/zinc/45/16/09/325451609.db2.gz DWBAQWAXHAOJBH-HZPDHXFCSA-N 1 0 243.394 3.816 20 0 BHADRO CC1(C)CC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000548372590 388531402 /nfs/dbraw/zinc/53/14/02/388531402.db2.gz DWBAQWAXHAOJBH-JKSUJKDBSA-N 1 0 243.394 3.816 20 0 BHADRO C[N@H+](CC1(c2ccccc2)CC1)C1CCCC1 ZINC000548401443 388534494 /nfs/dbraw/zinc/53/44/94/388534494.db2.gz SKIRFXZVIXCEIH-UHFFFAOYSA-N 1 0 229.367 3.593 20 0 BHADRO CC[N@H+](CCC(F)(F)F)[C@@H]1CCCC[C@H]1C ZINC000548403528 388533739 /nfs/dbraw/zinc/53/37/39/388533739.db2.gz HHAYFHBIIIWBTB-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CC[N@H+](CCC(F)(F)F)[C@H]1CCCC[C@H]1C ZINC000548403537 388534171 /nfs/dbraw/zinc/53/41/71/388534171.db2.gz HHAYFHBIIIWBTB-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CC[N@H+](CCC(F)(F)F)[C@H]1CCCC[C@@H]1C ZINC000548403538 388533786 /nfs/dbraw/zinc/53/37/86/388533786.db2.gz HHAYFHBIIIWBTB-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CC[N@H+](CCC(F)(F)F)[C@@H]1CCCC[C@@H]1C ZINC000548403539 388534166 /nfs/dbraw/zinc/53/41/66/388534166.db2.gz HHAYFHBIIIWBTB-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO Cc1cccc(C)c1OCCC[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424372 388536744 /nfs/dbraw/zinc/53/67/44/388536744.db2.gz XXKZPXXKVVTWFC-GASCZTMLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc(C)c1OCCC[NH+]1[C@@H](C)C[C@@H]1C ZINC000548424373 388537358 /nfs/dbraw/zinc/53/73/58/388537358.db2.gz XXKZPXXKVVTWFC-GJZGRUSLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc(C)c1OCCC[NH+]1[C@H](C)C[C@H]1C ZINC000548424374 325455671 /nfs/dbraw/zinc/45/56/71/325455671.db2.gz XXKZPXXKVVTWFC-HUUCEWRRSA-N 1 0 247.382 3.555 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424402 388536431 /nfs/dbraw/zinc/53/64/31/388536431.db2.gz FCBZGYHNSGEYNF-MBNYWOFBSA-N 1 0 203.329 3.620 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424403 388536903 /nfs/dbraw/zinc/53/69/03/388536903.db2.gz FCBZGYHNSGEYNF-SCRDCRAPSA-N 1 0 203.329 3.620 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548424404 388537277 /nfs/dbraw/zinc/53/72/77/388537277.db2.gz FCBZGYHNSGEYNF-SGMGOOAPSA-N 1 0 203.329 3.620 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1[C@H](C)C[C@H]1C ZINC000548424405 325455968 /nfs/dbraw/zinc/45/59/68/325455968.db2.gz FCBZGYHNSGEYNF-YRGRVCCFSA-N 1 0 203.329 3.620 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424634 388537048 /nfs/dbraw/zinc/53/70/48/388537048.db2.gz DFGZFZKXMPSETN-AEJSXWLSSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1[C@H](C)C[C@H]1C ZINC000548424635 388537517 /nfs/dbraw/zinc/53/75/17/388537517.db2.gz DFGZFZKXMPSETN-BBBLOLIVSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424636 388537129 /nfs/dbraw/zinc/53/71/29/388537129.db2.gz DFGZFZKXMPSETN-KXUCPTDWSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1[C@H](C)C[C@H]1C ZINC000548424637 388536448 /nfs/dbraw/zinc/53/64/48/388536448.db2.gz DFGZFZKXMPSETN-OPRDCNLKSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(C(F)F)c1 ZINC000548424962 388536251 /nfs/dbraw/zinc/53/62/51/388536251.db2.gz IVMVSILYNNSCEU-AOOOYVTPSA-N 1 0 225.282 3.607 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(C(F)F)c1 ZINC000548424963 388537123 /nfs/dbraw/zinc/53/71/23/388537123.db2.gz IVMVSILYNNSCEU-NXEZZACHSA-N 1 0 225.282 3.607 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(C(F)F)c1 ZINC000548424964 388536591 /nfs/dbraw/zinc/53/65/91/388536591.db2.gz IVMVSILYNNSCEU-UWVGGRQHSA-N 1 0 225.282 3.607 20 0 BHADRO Cc1ccc(C)c(OCCC[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000548425123 388537309 /nfs/dbraw/zinc/53/73/09/388537309.db2.gz PNYRPGCQNSLFQM-GASCZTMLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc(C)c(OCCC[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000548425125 325456205 /nfs/dbraw/zinc/45/62/05/325456205.db2.gz PNYRPGCQNSLFQM-GJZGRUSLSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1ccc(C)c(OCCC[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000548425126 388536487 /nfs/dbraw/zinc/53/64/87/388536487.db2.gz PNYRPGCQNSLFQM-HUUCEWRRSA-N 1 0 247.382 3.555 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000548425169 388536455 /nfs/dbraw/zinc/53/64/55/388536455.db2.gz SSECRXJEOFSMHW-AOOOYVTPSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C(F)(F)F)cc1 ZINC000548425170 325456240 /nfs/dbraw/zinc/45/62/40/325456240.db2.gz SSECRXJEOFSMHW-NXEZZACHSA-N 1 0 243.272 3.688 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C(F)(F)F)cc1 ZINC000548425171 388537524 /nfs/dbraw/zinc/53/75/24/388537524.db2.gz SSECRXJEOFSMHW-UWVGGRQHSA-N 1 0 243.272 3.688 20 0 BHADRO Cc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000548425555 388537392 /nfs/dbraw/zinc/53/73/92/388537392.db2.gz QGUVUAUANQVNIL-BETUJISGSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)c2ccccc2n1 ZINC000548425558 388536640 /nfs/dbraw/zinc/53/66/40/388536640.db2.gz QGUVUAUANQVNIL-CHWSQXEVSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000548425560 388536524 /nfs/dbraw/zinc/53/65/24/388536524.db2.gz QGUVUAUANQVNIL-STQMWFEESA-N 1 0 240.350 3.526 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548425739 388536513 /nfs/dbraw/zinc/53/65/13/388536513.db2.gz NXVQFOUETIFPQM-AEJSXWLSSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548425740 325456650 /nfs/dbraw/zinc/45/66/50/325456650.db2.gz NXVQFOUETIFPQM-BBBLOLIVSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548425741 388536998 /nfs/dbraw/zinc/53/69/98/388536998.db2.gz NXVQFOUETIFPQM-KXUCPTDWSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548425742 388536260 /nfs/dbraw/zinc/53/62/60/388536260.db2.gz NXVQFOUETIFPQM-OPRDCNLKSA-N 1 0 225.282 3.509 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000548426153 325456833 /nfs/dbraw/zinc/45/68/33/325456833.db2.gz VUHBMHGGJWZSHP-GPCCPHFNSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000548426154 388536289 /nfs/dbraw/zinc/53/62/89/388536289.db2.gz VUHBMHGGJWZSHP-ISTVAULSSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000548426155 388536660 /nfs/dbraw/zinc/53/66/60/388536660.db2.gz VUHBMHGGJWZSHP-RBZYPMLTSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000548426156 388537027 /nfs/dbraw/zinc/53/70/27/388537027.db2.gz VUHBMHGGJWZSHP-RULNRJAQSA-N 1 0 235.758 3.810 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548426677 388536533 /nfs/dbraw/zinc/53/65/33/388536533.db2.gz BZVHLQIYFPFLOL-AVGNSLFASA-N 1 0 203.329 3.539 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548426679 388536497 /nfs/dbraw/zinc/53/64/97/388536497.db2.gz BZVHLQIYFPFLOL-FRRDWIJNSA-N 1 0 203.329 3.539 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1[C@H](C)C[C@H]1C ZINC000548426681 388536409 /nfs/dbraw/zinc/53/64/09/388536409.db2.gz BZVHLQIYFPFLOL-UPJWGTAASA-N 1 0 203.329 3.539 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548426682 388536857 /nfs/dbraw/zinc/53/68/57/388536857.db2.gz BZVHLQIYFPFLOL-XQQFMLRXSA-N 1 0 203.329 3.539 20 0 BHADRO CCC(C)(C)[N@H+](C)CCc1cccc(F)c1F ZINC000548427262 388538875 /nfs/dbraw/zinc/53/88/75/388538875.db2.gz GMPRJLCEBFTHTI-UHFFFAOYSA-N 1 0 241.325 3.628 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000548427726 388538810 /nfs/dbraw/zinc/53/88/10/388538810.db2.gz MUMUPQUJDLMUNR-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000548427844 388538855 /nfs/dbraw/zinc/53/88/55/388538855.db2.gz OPRYNKSVCGHQOL-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO Cc1cccc(NC[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC000548442221 325458440 /nfs/dbraw/zinc/45/84/40/325458440.db2.gz RHLWKPWJEULTHA-LLVKDONJSA-N 1 0 244.313 3.745 20 0 BHADRO Cc1cccc(NC[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC000548442222 388539140 /nfs/dbraw/zinc/53/91/40/388539140.db2.gz RHLWKPWJEULTHA-NSHDSACASA-N 1 0 244.313 3.745 20 0 BHADRO Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1C ZINC000548484442 388543801 /nfs/dbraw/zinc/54/38/01/388543801.db2.gz PXXRHFZGQAIDKC-GFCCVEGCSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C ZINC000548484443 388543734 /nfs/dbraw/zinc/54/37/34/388543734.db2.gz PXXRHFZGQAIDKC-LBPRGKRZSA-N 1 0 221.319 3.509 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000548486045 325463361 /nfs/dbraw/zinc/46/33/61/325463361.db2.gz DCDLWIVLVIQUBP-MNOVXSKESA-N 1 0 245.288 3.844 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000548486046 325463310 /nfs/dbraw/zinc/46/33/10/325463310.db2.gz DCDLWIVLVIQUBP-QWRGUYRKSA-N 1 0 245.288 3.844 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000548487147 388543200 /nfs/dbraw/zinc/54/32/00/388543200.db2.gz QUWJMDKIXZVAIL-CYBMUJFWSA-N 1 0 234.387 3.565 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000548487148 388543522 /nfs/dbraw/zinc/54/35/22/388543522.db2.gz QUWJMDKIXZVAIL-ZDUSSCGKSA-N 1 0 234.387 3.565 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC000548487562 325463120 /nfs/dbraw/zinc/46/31/20/325463120.db2.gz OCGSRBJSHNGXAK-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC000548487563 325463315 /nfs/dbraw/zinc/46/33/15/325463315.db2.gz OCGSRBJSHNGXAK-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000548487564 388543518 /nfs/dbraw/zinc/54/35/18/388543518.db2.gz OCGSRBJSHNGXAK-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000548487565 388543662 /nfs/dbraw/zinc/54/36/62/388543662.db2.gz OCGSRBJSHNGXAK-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCOC ZINC000548487994 388543342 /nfs/dbraw/zinc/54/33/42/388543342.db2.gz LYQDASQKLOVDBV-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCCCOC ZINC000548487995 388543708 /nfs/dbraw/zinc/54/37/08/388543708.db2.gz LYQDASQKLOVDBV-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC000548487996 388543539 /nfs/dbraw/zinc/54/35/39/388543539.db2.gz LYQDASQKLOVDBV-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC000548487997 325463302 /nfs/dbraw/zinc/46/33/02/325463302.db2.gz LYQDASQKLOVDBV-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)=CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000548497485 388544608 /nfs/dbraw/zinc/54/46/08/388544608.db2.gz ZLTZVQOZTIQCGR-UHFFFAOYSA-N 1 0 227.351 3.500 20 0 BHADRO CCCc1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000548501056 388544485 /nfs/dbraw/zinc/54/44/85/388544485.db2.gz ZGNOGPMEHZTYJB-UHFFFAOYSA-N 1 0 229.367 3.766 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000548587376 388547593 /nfs/dbraw/zinc/54/75/93/388547593.db2.gz IOMXRAUCBACOIG-CYBMUJFWSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000548587377 388547054 /nfs/dbraw/zinc/54/70/54/388547054.db2.gz IOMXRAUCBACOIG-ZDUSSCGKSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000548587416 388547498 /nfs/dbraw/zinc/54/74/98/388547498.db2.gz PZJQQAFXHZJXIS-JTQLQIEISA-N 1 0 227.735 3.698 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000548587417 388547391 /nfs/dbraw/zinc/54/73/91/388547391.db2.gz PZJQQAFXHZJXIS-SNVBAGLBSA-N 1 0 227.735 3.698 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CCCc1ccsc1 ZINC000548603740 388547758 /nfs/dbraw/zinc/54/77/58/388547758.db2.gz SXLJQIDRGAOGOJ-CYBMUJFWSA-N 1 0 237.412 3.945 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CCCc1ccsc1 ZINC000548603741 388548087 /nfs/dbraw/zinc/54/80/87/388548087.db2.gz SXLJQIDRGAOGOJ-ZDUSSCGKSA-N 1 0 237.412 3.945 20 0 BHADRO CC(C)=CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000548729336 388555074 /nfs/dbraw/zinc/55/50/74/388555074.db2.gz ONZNUBILRNCOEL-UHFFFAOYSA-N 1 0 229.367 3.616 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@H]1C=CCCC1 ZINC000548730953 388554936 /nfs/dbraw/zinc/55/49/36/388554936.db2.gz YRJSOFXBMGVZLG-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1C=CCCC1 ZINC000548730955 388555159 /nfs/dbraw/zinc/55/51/59/388555159.db2.gz YRJSOFXBMGVZLG-MCIONIFRSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1C=CCCC1 ZINC000548730957 388555178 /nfs/dbraw/zinc/55/51/78/388555178.db2.gz YRJSOFXBMGVZLG-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@H]1C=CCCC1 ZINC000548730958 388555121 /nfs/dbraw/zinc/55/51/21/388555121.db2.gz YRJSOFXBMGVZLG-RDBSUJKOSA-N 1 0 207.361 3.606 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC000548731185 388555202 /nfs/dbraw/zinc/55/52/02/388555202.db2.gz KCASYBKHRVMMMU-BBRMVZONSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2C)c1 ZINC000548731198 388555267 /nfs/dbraw/zinc/55/52/67/388555267.db2.gz KCASYBKHRVMMMU-CJNGLKHVSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)c1 ZINC000548731199 388554720 /nfs/dbraw/zinc/55/47/20/388554720.db2.gz KCASYBKHRVMMMU-CZUORRHYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000548731201 388554845 /nfs/dbraw/zinc/55/48/45/388554845.db2.gz KCASYBKHRVMMMU-XJKSGUPXSA-N 1 0 247.382 3.706 20 0 BHADRO FC(F)c1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000548752058 325477525 /nfs/dbraw/zinc/47/75/25/325477525.db2.gz HAVIYFIVEUJILD-UHFFFAOYSA-N 1 0 237.293 3.656 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[NH+]1[C@H](C)C[C@H]1C ZINC000548753262 388557095 /nfs/dbraw/zinc/55/70/95/388557095.db2.gz QXHRJSIPBZTNNA-GPCCPHFNSA-N 1 0 239.309 3.899 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753266 388556854 /nfs/dbraw/zinc/55/68/54/388556854.db2.gz QXHRJSIPBZTNNA-ISTVAULSSA-N 1 0 239.309 3.899 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548753268 388556815 /nfs/dbraw/zinc/55/68/15/388556815.db2.gz QXHRJSIPBZTNNA-PKFCDNJMSA-N 1 0 239.309 3.899 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753270 388557716 /nfs/dbraw/zinc/55/77/16/388557716.db2.gz QXHRJSIPBZTNNA-RBZYPMLTSA-N 1 0 239.309 3.899 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C/c1ccc(Cl)cc1 ZINC000548753308 325478191 /nfs/dbraw/zinc/47/81/91/325478191.db2.gz QEQTYTLRMNETGL-BLDJZWNYSA-N 1 0 235.758 3.836 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C\c1ccc(Cl)cc1 ZINC000548753326 388557945 /nfs/dbraw/zinc/55/79/45/388557945.db2.gz QEQTYTLRMNETGL-OPVGQWETSA-N 1 0 235.758 3.836 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000548753327 388557670 /nfs/dbraw/zinc/55/76/70/388557670.db2.gz QEQTYTLRMNETGL-ROUHBEFFSA-N 1 0 235.758 3.836 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000548753328 388556874 /nfs/dbraw/zinc/55/68/74/388556874.db2.gz QEQTYTLRMNETGL-XVGAQQEPSA-N 1 0 235.758 3.836 20 0 BHADRO Cc1cc(C)c(C[NH+]2[C@@H](C)C[C@@H]2C)c(C)c1 ZINC000548753649 325478422 /nfs/dbraw/zinc/47/84/22/325478422.db2.gz DBMNORHHNJIRFE-KBPBESRZSA-N 1 0 217.356 3.595 20 0 BHADRO Cc1cc(C)c(C[N@H+]2[C@H](C)C[C@@H]2C)c(C)c1 ZINC000548753650 388557339 /nfs/dbraw/zinc/55/73/39/388557339.db2.gz DBMNORHHNJIRFE-OKILXGFUSA-N 1 0 217.356 3.595 20 0 BHADRO Cc1cc(C)c(C[NH+]2[C@H](C)C[C@H]2C)c(C)c1 ZINC000548753651 323858066 /nfs/dbraw/zinc/85/80/66/323858066.db2.gz DBMNORHHNJIRFE-ZIAGYGMSSA-N 1 0 217.356 3.595 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000548753696 388557030 /nfs/dbraw/zinc/55/70/30/388557030.db2.gz NGNSABZDMNZYAW-AVGNSLFASA-N 1 0 203.329 3.539 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000548753697 388557008 /nfs/dbraw/zinc/55/70/08/388557008.db2.gz NGNSABZDMNZYAW-FRRDWIJNSA-N 1 0 203.329 3.539 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000548753698 388009182 /nfs/dbraw/zinc/00/91/82/388009182.db2.gz NGNSABZDMNZYAW-UPJWGTAASA-N 1 0 203.329 3.539 20 0 BHADRO Cc1cccc([C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000548753699 388009967 /nfs/dbraw/zinc/00/99/67/388009967.db2.gz NGNSABZDMNZYAW-XQQFMLRXSA-N 1 0 203.329 3.539 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCCc1ccccc1Cl ZINC000548754894 325479000 /nfs/dbraw/zinc/47/90/00/325479000.db2.gz WZKZTZUBOUYOJI-RYUDHWBXSA-N 1 0 237.774 3.755 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCCc1ccccc1Cl ZINC000548754900 388557194 /nfs/dbraw/zinc/55/71/94/388557194.db2.gz WZKZTZUBOUYOJI-VXGBXAGGSA-N 1 0 237.774 3.755 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C/c1ccccc1 ZINC000548755322 388557849 /nfs/dbraw/zinc/55/78/49/388557849.db2.gz XOOOLCREBCRHTP-FMIVXFBMSA-N 1 0 217.356 3.820 20 0 BHADRO CCC(C)(C)[N@H+](C)C/C=C\c1ccccc1 ZINC000548755323 388557660 /nfs/dbraw/zinc/55/76/60/388557660.db2.gz XOOOLCREBCRHTP-XFXZXTDPSA-N 1 0 217.356 3.820 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1c(F)cccc1F ZINC000548756086 388557883 /nfs/dbraw/zinc/55/78/83/388557883.db2.gz KZNLTNCAHKAZPS-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C(C)(C)C1CC1 ZINC000548780325 325484501 /nfs/dbraw/zinc/48/45/01/325484501.db2.gz ZISOTZVMDKQAKN-ACCUITESSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C(C)(C)C1CC1 ZINC000548780336 388561842 /nfs/dbraw/zinc/56/18/42/388561842.db2.gz ZISOTZVMDKQAKN-QBFSEMIESA-N 1 0 229.367 3.868 20 0 BHADRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000548792948 388563120 /nfs/dbraw/zinc/56/31/20/388563120.db2.gz DWEYLBGWWLJFLN-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000548792949 325484972 /nfs/dbraw/zinc/48/49/72/325484972.db2.gz DWEYLBGWWLJFLN-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000548792950 388563632 /nfs/dbraw/zinc/56/36/32/388563632.db2.gz DWEYLBGWWLJFLN-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000548792951 388561856 /nfs/dbraw/zinc/56/18/56/388561856.db2.gz DWEYLBGWWLJFLN-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccccc1[C@]1(F)CC[N@H+](CC2(C)CC2)C1 ZINC000548796245 388562810 /nfs/dbraw/zinc/56/28/10/388562810.db2.gz QETBVOOPWOSEFL-INIZCTEOSA-N 1 0 247.357 3.666 20 0 BHADRO Cc1ccccc1[C@@]1(F)CC[N@H+](CC2(C)CC2)C1 ZINC000548796246 388563550 /nfs/dbraw/zinc/56/35/50/388563550.db2.gz QETBVOOPWOSEFL-MRXNPFEDSA-N 1 0 247.357 3.666 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000548843951 388564218 /nfs/dbraw/zinc/56/42/18/388564218.db2.gz XLMBMMMSMRIJPN-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000548843952 388564172 /nfs/dbraw/zinc/56/41/72/388564172.db2.gz XLMBMMMSMRIJPN-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000548843953 388564878 /nfs/dbraw/zinc/56/48/78/388564878.db2.gz XLMBMMMSMRIJPN-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000548843954 388564438 /nfs/dbraw/zinc/56/44/38/388564438.db2.gz XLMBMMMSMRIJPN-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000548844499 388565768 /nfs/dbraw/zinc/56/57/68/388565768.db2.gz DEFJHIFFSLCCRC-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000548844501 388566291 /nfs/dbraw/zinc/56/62/91/388566291.db2.gz DEFJHIFFSLCCRC-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000548849707 383966116 /nfs/dbraw/zinc/96/61/16/383966116.db2.gz BQISFDDVEAFUQA-CYBMUJFWSA-N 1 0 247.382 3.632 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000548849708 383966187 /nfs/dbraw/zinc/96/61/87/383966187.db2.gz BQISFDDVEAFUQA-ZDUSSCGKSA-N 1 0 247.382 3.632 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)oc1C ZINC000548858155 325488217 /nfs/dbraw/zinc/48/82/17/325488217.db2.gz QYVIFKCEGRWVFI-LLVKDONJSA-N 1 0 247.382 3.983 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C2CC2)C2CC2)oc1C ZINC000548858156 388566266 /nfs/dbraw/zinc/56/62/66/388566266.db2.gz QYVIFKCEGRWVFI-NSHDSACASA-N 1 0 247.382 3.983 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000548858973 388565925 /nfs/dbraw/zinc/56/59/25/388565925.db2.gz FOBDGAATBMGARC-LLLHUVSDSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000548858978 325488631 /nfs/dbraw/zinc/48/86/31/325488631.db2.gz FOBDGAATBMGARC-QMCVQRASSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000548858979 388565546 /nfs/dbraw/zinc/56/55/46/388565546.db2.gz FOBDGAATBMGARC-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000548858980 325488639 /nfs/dbraw/zinc/48/86/39/325488639.db2.gz FOBDGAATBMGARC-XLNGHYISSA-N 1 0 243.394 3.958 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CCC12CCC2 ZINC000548859781 325488722 /nfs/dbraw/zinc/48/87/22/325488722.db2.gz LNIKYUCNKCJYRS-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CCC12CCC2 ZINC000548859782 325488616 /nfs/dbraw/zinc/48/86/16/325488616.db2.gz LNIKYUCNKCJYRS-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO Cc1ccccc1C[NH2+]CC(C)(C)C(F)(F)F ZINC000548860015 325488680 /nfs/dbraw/zinc/48/86/80/325488680.db2.gz JSPNRSYRBYWTFE-UHFFFAOYSA-N 1 0 245.288 3.673 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548860034 388565928 /nfs/dbraw/zinc/56/59/28/388565928.db2.gz LLOKVDXJZJTIGQ-GLQYFDAESA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548860041 388565674 /nfs/dbraw/zinc/56/56/74/388565674.db2.gz LLOKVDXJZJTIGQ-NILFDRSVSA-N 1 0 241.334 3.711 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cc(C)c(C)o2)o1 ZINC000548860669 388565339 /nfs/dbraw/zinc/56/53/39/388565339.db2.gz COPHFXWZWFHJDD-GFCCVEGCSA-N 1 0 247.338 3.691 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(C)c(C)o2)o1 ZINC000548860670 388565368 /nfs/dbraw/zinc/56/53/68/388565368.db2.gz COPHFXWZWFHJDD-LBPRGKRZSA-N 1 0 247.338 3.691 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC23CCC3)o1 ZINC000548860722 342732918 /nfs/dbraw/zinc/73/29/18/342732918.db2.gz HVLPGKSWUJNLSI-OSAQELSMSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCC23CCC3)o1 ZINC000548860723 342732925 /nfs/dbraw/zinc/73/29/25/342732925.db2.gz HVLPGKSWUJNLSI-UXIGCNINSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC23CCC3)o1 ZINC000548860724 342733036 /nfs/dbraw/zinc/73/30/36/342733036.db2.gz HVLPGKSWUJNLSI-ZLDLUXBVSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548880806 325490964 /nfs/dbraw/zinc/49/09/64/325490964.db2.gz QSKMKTUBBAIJDA-KXNHARMFSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548880807 325490821 /nfs/dbraw/zinc/49/08/21/325490821.db2.gz QSKMKTUBBAIJDA-NNYUYHANSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548880808 388568194 /nfs/dbraw/zinc/56/81/94/388568194.db2.gz QSKMKTUBBAIJDA-WRWGMCAJSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548880809 325490923 /nfs/dbraw/zinc/49/09/23/325490923.db2.gz QSKMKTUBBAIJDA-YFKTTZPYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Cc1cccs1 ZINC000548881306 388567714 /nfs/dbraw/zinc/56/77/14/388567714.db2.gz WFOSAFOBYVWWCA-AYRXBEOTSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Cc1cccs1 ZINC000548881309 325490898 /nfs/dbraw/zinc/49/08/98/325490898.db2.gz WFOSAFOBYVWWCA-DDHJSBNISA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)Cc1cccs1 ZINC000548881310 325490886 /nfs/dbraw/zinc/49/08/86/325490886.db2.gz WFOSAFOBYVWWCA-OSRDXIQISA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)Cc1cccs1 ZINC000548881312 325490875 /nfs/dbraw/zinc/49/08/75/325490875.db2.gz WFOSAFOBYVWWCA-VIRABCJISA-N 1 0 249.423 3.705 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548882796 325491194 /nfs/dbraw/zinc/49/11/94/325491194.db2.gz ASDBYWLUFAAVTN-IRCOFANPSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548882797 388568470 /nfs/dbraw/zinc/56/84/70/388568470.db2.gz ASDBYWLUFAAVTN-QCNOEVLYSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548882798 325491264 /nfs/dbraw/zinc/49/12/64/325491264.db2.gz ASDBYWLUFAAVTN-USZNOCQGSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548882799 325491199 /nfs/dbraw/zinc/49/11/99/325491199.db2.gz ASDBYWLUFAAVTN-WHOHXGKFSA-N 1 0 249.320 3.742 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548883051 325491212 /nfs/dbraw/zinc/49/12/12/325491212.db2.gz HUZYXCHYIVTIIX-XQQFMLRXSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548883052 342757229 /nfs/dbraw/zinc/75/72/29/342757229.db2.gz HUZYXCHYIVTIIX-YNEHKIRRSA-N 1 0 243.341 3.590 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548885334 388567765 /nfs/dbraw/zinc/56/77/65/388567765.db2.gz LWBIGIYPDLFWSI-LLLHUVSDSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548885335 342760531 /nfs/dbraw/zinc/76/05/31/342760531.db2.gz LWBIGIYPDLFWSI-QMCVQRASSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548885336 384108867 /nfs/dbraw/zinc/10/88/67/384108867.db2.gz LWBIGIYPDLFWSI-XBVQOTNRSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548885337 384109078 /nfs/dbraw/zinc/10/90/78/384109078.db2.gz LWBIGIYPDLFWSI-XLNGHYISSA-N 1 0 243.394 3.877 20 0 BHADRO CC(C)SCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000548918333 398139012 /nfs/dbraw/zinc/13/90/12/398139012.db2.gz NKCZCOULAMQLSE-HZSPNIEDSA-N 1 0 241.444 3.781 20 0 BHADRO CC(C)SCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000548918334 398139124 /nfs/dbraw/zinc/13/91/24/398139124.db2.gz NKCZCOULAMQLSE-MCIONIFRSA-N 1 0 241.444 3.781 20 0 BHADRO CC(C)SCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000548918335 398138908 /nfs/dbraw/zinc/13/89/08/398138908.db2.gz NKCZCOULAMQLSE-MGPQQGTHSA-N 1 0 241.444 3.781 20 0 BHADRO CC(C)SCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000548918336 398138758 /nfs/dbraw/zinc/13/87/58/398138758.db2.gz NKCZCOULAMQLSE-RDBSUJKOSA-N 1 0 241.444 3.781 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000548918809 398138842 /nfs/dbraw/zinc/13/88/42/398138842.db2.gz YYHBPFPGPGYIDA-GFCCVEGCSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000548918818 398139227 /nfs/dbraw/zinc/13/92/27/398139227.db2.gz YYHBPFPGPGYIDA-LBPRGKRZSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000548918829 398138920 /nfs/dbraw/zinc/13/89/20/398138920.db2.gz ZFHZSPSGXZXGGK-CYBMUJFWSA-N 1 0 249.423 3.747 20 0 BHADRO CC(C)SCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000548918841 398139138 /nfs/dbraw/zinc/13/91/38/398139138.db2.gz ZFHZSPSGXZXGGK-ZDUSSCGKSA-N 1 0 249.423 3.747 20 0 BHADRO FCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548927941 388569022 /nfs/dbraw/zinc/56/90/22/388569022.db2.gz QASNSNNDBRJHTI-MUJYYYPQSA-N 1 0 247.357 3.757 20 0 BHADRO Cc1cccnc1C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000548929038 388569550 /nfs/dbraw/zinc/56/95/50/388569550.db2.gz ISQXARFEEFCCRU-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO COCCCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000548930835 388569131 /nfs/dbraw/zinc/56/91/31/388569131.db2.gz UKDSTRFMZCOAKF-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1cncc(C[N@@H+](C)[C@H](C)C2CCCCC2)c1 ZINC000548931013 388569257 /nfs/dbraw/zinc/56/92/57/388569257.db2.gz XRFXHLPXMIGSLG-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO CCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000548933001 388569592 /nfs/dbraw/zinc/56/95/92/388569592.db2.gz CUJVNDPPUVMVAH-HNNXBMFYSA-N 1 0 217.356 3.796 20 0 BHADRO CCCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000548933002 388569167 /nfs/dbraw/zinc/56/91/67/388569167.db2.gz CUJVNDPPUVMVAH-OAHLLOKOSA-N 1 0 217.356 3.796 20 0 BHADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548934505 388569483 /nfs/dbraw/zinc/56/94/83/388569483.db2.gz HRTADTRTPOWGGO-MUJYYYPQSA-N 1 0 229.367 3.805 20 0 BHADRO CC1=C(C)C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000548937086 388569779 /nfs/dbraw/zinc/56/97/79/388569779.db2.gz UJPWKIQGUWHDNH-HNNXBMFYSA-N 1 0 249.398 3.520 20 0 BHADRO CC1=C(C)C[N@H+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000548937087 388569671 /nfs/dbraw/zinc/56/96/71/388569671.db2.gz UJPWKIQGUWHDNH-OAHLLOKOSA-N 1 0 249.398 3.520 20 0 BHADRO CC(C)(C[NH2+]Cc1cccc(F)c1)C(F)(F)F ZINC000548975482 325493950 /nfs/dbraw/zinc/49/39/50/325493950.db2.gz UYNNWHYWSYXLHQ-UHFFFAOYSA-N 1 0 249.251 3.504 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000548980005 325493915 /nfs/dbraw/zinc/49/39/15/325493915.db2.gz AZUSHNGJJMIWMB-DXCHVLGVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000548980006 388569820 /nfs/dbraw/zinc/56/98/20/388569820.db2.gz AZUSHNGJJMIWMB-LYSZQXJVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000548980007 325494070 /nfs/dbraw/zinc/49/40/70/325494070.db2.gz AZUSHNGJJMIWMB-RKHAHWSXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000548980008 388569806 /nfs/dbraw/zinc/56/98/06/388569806.db2.gz AZUSHNGJJMIWMB-VFNXUKNFSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C[NH2+]CC2CC(c3ccccc3)C2)CC1 ZINC000548980279 388569759 /nfs/dbraw/zinc/56/97/59/388569759.db2.gz GDEMZDDVHNPPOJ-UHFFFAOYSA-N 1 0 229.367 3.570 20 0 BHADRO CC(C)CCCNc1ccc(CC[NH+](C)C)cc1 ZINC000548981009 325494123 /nfs/dbraw/zinc/49/41/23/325494123.db2.gz QMFODLBMAOTYKU-UHFFFAOYSA-N 1 0 248.414 3.639 20 0 BHADRO CC(C)(C)C[NH2+]CC1CC(c2ccccc2)C1 ZINC000548981209 388569145 /nfs/dbraw/zinc/56/91/45/388569145.db2.gz AJMOBNQKRPPWSJ-UHFFFAOYSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000548983955 388570195 /nfs/dbraw/zinc/57/01/95/388570195.db2.gz IPIXKSSRHHQRTM-DZGCQCFKSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000548983956 325494170 /nfs/dbraw/zinc/49/41/70/325494170.db2.gz IPIXKSSRHHQRTM-HIFRSBDPSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000548983957 388570021 /nfs/dbraw/zinc/57/00/21/388570021.db2.gz IPIXKSSRHHQRTM-UKRRQHHQSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000548983961 388570214 /nfs/dbraw/zinc/57/02/14/388570214.db2.gz IPIXKSSRHHQRTM-ZFWWWQNUSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000548991480 388569986 /nfs/dbraw/zinc/56/99/86/388569986.db2.gz NNTBYCQNRDRCPW-GXTWGEPZSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000548991483 388570710 /nfs/dbraw/zinc/57/07/10/388570710.db2.gz NNTBYCQNRDRCPW-JSGCOSHPSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CSC1(C)C)c1ccccc1 ZINC000548991484 388570607 /nfs/dbraw/zinc/57/06/07/388570607.db2.gz NNTBYCQNRDRCPW-OCCSQVGLSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CSC1(C)C)c1ccccc1 ZINC000548991485 388570383 /nfs/dbraw/zinc/57/03/83/388570383.db2.gz NNTBYCQNRDRCPW-TZMCWYRMSA-N 1 0 249.423 3.664 20 0 BHADRO CC(C)CCC[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000548993985 325494347 /nfs/dbraw/zinc/49/43/47/325494347.db2.gz VUUFIPRCCVMSGI-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000548993986 325494350 /nfs/dbraw/zinc/49/43/50/325494350.db2.gz VUUFIPRCCVMSGI-QDMKHBRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000548993987 388570564 /nfs/dbraw/zinc/57/05/64/388570564.db2.gz VUUFIPRCCVMSGI-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1C[C@@H](CC[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000548994090 325494405 /nfs/dbraw/zinc/49/44/05/325494405.db2.gz YHOHGMXSZDJSJK-BTTYYORXSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CC(CC[NH2+]C2CCCCC2)C[C@@H](C)O1 ZINC000548994091 518179038 /nfs/dbraw/zinc/17/90/38/518179038.db2.gz YHOHGMXSZDJSJK-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CC(CC[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000548994092 325494298 /nfs/dbraw/zinc/49/42/98/325494298.db2.gz YHOHGMXSZDJSJK-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000549000926 325494357 /nfs/dbraw/zinc/49/43/57/325494357.db2.gz IOXYGDBHGUKSMZ-KSZJFAHPSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000549000927 325494363 /nfs/dbraw/zinc/49/43/63/325494363.db2.gz IOXYGDBHGUKSMZ-RUAUBTSSSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000549000928 325494367 /nfs/dbraw/zinc/49/43/67/325494367.db2.gz IOXYGDBHGUKSMZ-YOENINGUSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000549000929 388570562 /nfs/dbraw/zinc/57/05/62/388570562.db2.gz IOXYGDBHGUKSMZ-ZCDTZLGTSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549000953 325494374 /nfs/dbraw/zinc/49/43/74/325494374.db2.gz QRHCPYAIGFVOSM-GCOQZVFPSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549000954 388570559 /nfs/dbraw/zinc/57/05/59/388570559.db2.gz QRHCPYAIGFVOSM-SZYCXQDTSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549000955 388570099 /nfs/dbraw/zinc/57/00/99/388570099.db2.gz QRHCPYAIGFVOSM-UXVLEFJLSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549000956 388570720 /nfs/dbraw/zinc/57/07/20/388570720.db2.gz QRHCPYAIGFVOSM-YWSWHFDRSA-N 1 0 245.341 3.591 20 0 BHADRO Clc1ccccc1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549033912 325495159 /nfs/dbraw/zinc/49/51/59/325495159.db2.gz KXTKTLKXOHCBLO-GUTXKFCHSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549033919 325495172 /nfs/dbraw/zinc/49/51/72/325495172.db2.gz KXTKTLKXOHCBLO-GZBFAFLISA-N 1 0 249.785 3.661 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549039155 384264846 /nfs/dbraw/zinc/26/48/46/384264846.db2.gz AIIQNFPADRFWKK-BBWFWOEESA-N 1 0 241.378 3.842 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549039166 384265863 /nfs/dbraw/zinc/26/58/63/384265863.db2.gz AIIQNFPADRFWKK-GVDBMIGSSA-N 1 0 241.378 3.842 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCC[C@H]4C[C@H]43)CCC2)cc1 ZINC000549040552 325495543 /nfs/dbraw/zinc/49/55/43/325495543.db2.gz BAZBTRWFXLKDHR-IMJJTQAJSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CCC2)cc1 ZINC000549040553 388571286 /nfs/dbraw/zinc/57/12/86/388571286.db2.gz BAZBTRWFXLKDHR-NUEKZKHPSA-N 1 0 241.378 3.844 20 0 BHADRO Fc1ccccc1C1([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041015 325495576 /nfs/dbraw/zinc/49/55/76/325495576.db2.gz RTQMLJBAWCRXII-YWPYICTPSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccccc1C1([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041016 388571039 /nfs/dbraw/zinc/57/10/39/388571039.db2.gz RTQMLJBAWCRXII-ZOWXZIJZSA-N 1 0 245.341 3.593 20 0 BHADRO CC[N@H+](C[C@H](OC)c1ccccc1)C1CCCC1 ZINC000549041184 388571251 /nfs/dbraw/zinc/57/12/51/388571251.db2.gz ZFXMLLYRYMYNPO-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CC[N@H+](C[C@@H](OC)c1ccccc1)C1CCCC1 ZINC000549041185 388570987 /nfs/dbraw/zinc/57/09/87/388570987.db2.gz ZFXMLLYRYMYNPO-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO CC[N@@H+](Cc1sccc1Cl)CC(C)C ZINC000549041407 388571620 /nfs/dbraw/zinc/57/16/20/388571620.db2.gz DKMVCTKWRCTKFD-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000549041562 388571864 /nfs/dbraw/zinc/57/18/64/388571864.db2.gz OGHKNCALCPCXEH-SECBINFHSA-N 1 0 229.776 3.776 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000549041563 388571718 /nfs/dbraw/zinc/57/17/18/388571718.db2.gz OGHKNCALCPCXEH-VIFPVBQESA-N 1 0 229.776 3.776 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549041628 325495734 /nfs/dbraw/zinc/49/57/34/325495734.db2.gz IURSGSLJBXQOFW-AHLTXXRQSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549041629 388571087 /nfs/dbraw/zinc/57/10/87/388571087.db2.gz IURSGSLJBXQOFW-ASEORRQLSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549041630 325495851 /nfs/dbraw/zinc/49/58/51/325495851.db2.gz IURSGSLJBXQOFW-GHYVTOPFSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549041631 325495808 /nfs/dbraw/zinc/49/58/08/325495808.db2.gz IURSGSLJBXQOFW-IGHBBLSQSA-N 1 0 245.391 3.612 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549041652 325495950 /nfs/dbraw/zinc/49/59/50/325495950.db2.gz LGSNIKSIQABQOL-BBWFWOEESA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549041653 388571178 /nfs/dbraw/zinc/57/11/78/388571178.db2.gz LGSNIKSIQABQOL-GVDBMIGSSA-N 1 0 243.394 3.624 20 0 BHADRO Clc1ccsc1C[NH+]1C2CCC1CC2 ZINC000549041795 388571116 /nfs/dbraw/zinc/57/11/16/388571116.db2.gz UTHYDXRMHMTGGJ-UHFFFAOYSA-N 1 0 227.760 3.528 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1sccc1Cl ZINC000549041857 388571214 /nfs/dbraw/zinc/57/12/14/388571214.db2.gz WNWGDDGEMUPBMF-SECBINFHSA-N 1 0 231.792 3.878 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1sccc1Cl ZINC000549041858 388570895 /nfs/dbraw/zinc/57/08/95/388570895.db2.gz WNWGDDGEMUPBMF-VIFPVBQESA-N 1 0 231.792 3.878 20 0 BHADRO CO[C@@H](C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000549041885 388571633 /nfs/dbraw/zinc/57/16/33/388571633.db2.gz XJDQUYBUVBRZQG-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000549041886 388571394 /nfs/dbraw/zinc/57/13/94/388571394.db2.gz XJDQUYBUVBRZQG-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549043050 325495849 /nfs/dbraw/zinc/49/58/49/325495849.db2.gz VRCDARVRZZUHNY-FAWFFBBMSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549043051 325495992 /nfs/dbraw/zinc/49/59/92/325495992.db2.gz VRCDARVRZZUHNY-GIDYTXSJSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549043053 388571828 /nfs/dbraw/zinc/57/18/28/388571828.db2.gz VRCDARVRZZUHNY-LHJKUJPLSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549043055 388571005 /nfs/dbraw/zinc/57/10/05/388571005.db2.gz VRCDARVRZZUHNY-NNCYVUHOSA-N 1 0 241.378 3.698 20 0 BHADRO CCC(CC)[N@H+](CCOc1ccccc1)C1CC1 ZINC000549099143 388572745 /nfs/dbraw/zinc/57/27/45/388572745.db2.gz UPVQQCSEBRSGTG-UHFFFAOYSA-N 1 0 247.382 3.718 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000549136855 388573104 /nfs/dbraw/zinc/57/31/04/388573104.db2.gz KWJAEFLPVMEONG-CYBMUJFWSA-N 1 0 239.403 3.599 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000549136856 388573624 /nfs/dbraw/zinc/57/36/24/388573624.db2.gz KWJAEFLPVMEONG-ZDUSSCGKSA-N 1 0 239.403 3.599 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC2CCCC2)CC1 ZINC000549158757 487724135 /nfs/dbraw/zinc/72/41/35/487724135.db2.gz ARVBNFZXNOVVDU-UHFFFAOYSA-N 1 0 245.366 3.949 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549171911 388574961 /nfs/dbraw/zinc/57/49/61/388574961.db2.gz KSHQGHFFAIZWLY-LLVKDONJSA-N 1 0 249.320 3.697 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549171936 388574862 /nfs/dbraw/zinc/57/48/62/388574862.db2.gz KSHQGHFFAIZWLY-NSHDSACASA-N 1 0 249.320 3.697 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]Cc1cccs1 ZINC000549178140 388574357 /nfs/dbraw/zinc/57/43/57/388574357.db2.gz KBWFRPLROGQYQW-JLHYYAGUSA-N 1 0 243.375 3.941 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000549200838 388574797 /nfs/dbraw/zinc/57/47/97/388574797.db2.gz BLKXOPQJJWMUAT-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000549200839 388574161 /nfs/dbraw/zinc/57/41/61/388574161.db2.gz BLKXOPQJJWMUAT-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000549202214 388574190 /nfs/dbraw/zinc/57/41/90/388574190.db2.gz PUCCIPGSRWJFEH-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC1(C)CC([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000549226589 388576005 /nfs/dbraw/zinc/57/60/05/388576005.db2.gz KPCSSWMWRVTQIW-UHFFFAOYSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235153 388575882 /nfs/dbraw/zinc/57/58/82/388575882.db2.gz IBYXJTGYVPULJO-KCXAZCMYSA-N 1 0 241.378 3.711 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235154 325499060 /nfs/dbraw/zinc/49/90/60/325499060.db2.gz IBYXJTGYVPULJO-RCBQFDQVSA-N 1 0 241.378 3.711 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000549236075 388575886 /nfs/dbraw/zinc/57/58/86/388575886.db2.gz WFEUYJOLDSJAHZ-HLIUYOAVSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000549236076 325498899 /nfs/dbraw/zinc/49/88/99/325498899.db2.gz WFEUYJOLDSJAHZ-VQCLRJIVSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549236476 388575907 /nfs/dbraw/zinc/57/59/07/388575907.db2.gz AXAMSQXYYQBBHT-APIJFGDWSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000549236477 388575408 /nfs/dbraw/zinc/57/54/08/388575408.db2.gz AXAMSQXYYQBBHT-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000549236478 325498898 /nfs/dbraw/zinc/49/88/98/325498898.db2.gz AXAMSQXYYQBBHT-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549236479 325498937 /nfs/dbraw/zinc/49/89/37/325498937.db2.gz AXAMSQXYYQBBHT-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549237518 388575402 /nfs/dbraw/zinc/57/54/02/388575402.db2.gz RNVZWKZGOAZHDC-DRANZPFZSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549237519 388575391 /nfs/dbraw/zinc/57/53/91/388575391.db2.gz RNVZWKZGOAZHDC-NOYHWAJDSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549237520 325498901 /nfs/dbraw/zinc/49/89/01/325498901.db2.gz RNVZWKZGOAZHDC-WLGNDBIMSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549237521 388575755 /nfs/dbraw/zinc/57/57/55/388575755.db2.gz RNVZWKZGOAZHDC-ZAZJUGBXSA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H](C)C[NH2+]CC1CC(c2ccccc2)C1 ZINC000549246974 388575557 /nfs/dbraw/zinc/57/55/57/388575557.db2.gz LJVOIBSIKUOFFT-HLIUYOAVSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1CC(c2ccccc2)C1 ZINC000549246975 388575776 /nfs/dbraw/zinc/57/57/76/388575776.db2.gz LJVOIBSIKUOFFT-VQCLRJIVSA-N 1 0 231.383 3.816 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1NCCCC(C)C ZINC000549247541 325499355 /nfs/dbraw/zinc/49/93/55/325499355.db2.gz SRTJHTOKXOYIMM-UHFFFAOYSA-N 1 0 248.414 3.905 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CSC1(C)C ZINC000549268709 388575714 /nfs/dbraw/zinc/57/57/14/388575714.db2.gz NMNMWNLLGPUFFY-BRADTZPFSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CSC1(C)C ZINC000549268711 388575410 /nfs/dbraw/zinc/57/54/10/388575410.db2.gz NMNMWNLLGPUFFY-FWLQQBITSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CSC1(C)C ZINC000549268713 325499466 /nfs/dbraw/zinc/49/94/66/325499466.db2.gz NMNMWNLLGPUFFY-TZIYXEQSSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CSC1(C)C ZINC000549268714 388575595 /nfs/dbraw/zinc/57/55/95/388575595.db2.gz NMNMWNLLGPUFFY-UQTJOTSZSA-N 1 0 247.407 3.574 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000549343343 388576708 /nfs/dbraw/zinc/57/67/08/388576708.db2.gz GVFQEEBMAYSIFV-DOMZBBRYSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000549343344 388576298 /nfs/dbraw/zinc/57/62/98/388576298.db2.gz GVFQEEBMAYSIFV-IUODEOHRSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000549343345 388577067 /nfs/dbraw/zinc/57/70/67/388577067.db2.gz GVFQEEBMAYSIFV-SWLSCSKDSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000549343346 388576488 /nfs/dbraw/zinc/57/64/88/388576488.db2.gz GVFQEEBMAYSIFV-WFASDCNBSA-N 1 0 217.356 3.615 20 0 BHADRO CCc1ccc(C[N@H+](C)CC2CCCCC2)nc1 ZINC000549344498 388576715 /nfs/dbraw/zinc/57/67/15/388576715.db2.gz NNBFKIPVYAIFMZ-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO CC1(C)CC[N@H+](Cc2sccc2Cl)C1 ZINC000549349000 388577758 /nfs/dbraw/zinc/57/77/58/388577758.db2.gz PFUUCWBOEZYVGE-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2sccc2Cl)C1 ZINC000549349141 388577897 /nfs/dbraw/zinc/57/78/97/388577897.db2.gz UHORFUKRFKGIDK-SECBINFHSA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2sccc2Cl)C1 ZINC000549349148 388577970 /nfs/dbraw/zinc/57/79/70/388577970.db2.gz UHORFUKRFKGIDK-VIFPVBQESA-N 1 0 241.787 3.800 20 0 BHADRO CCCC[N@H+](C[C@H](OC)c1ccccc1)C1CC1 ZINC000549349658 388577347 /nfs/dbraw/zinc/57/73/47/388577347.db2.gz AROXHYUXKLNZNB-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CCCC[N@H+](C[C@@H](OC)c1ccccc1)C1CC1 ZINC000549349660 388577436 /nfs/dbraw/zinc/57/74/36/388577436.db2.gz AROXHYUXKLNZNB-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@@H](C[N@H+](CC(C)C)C(C)C)c1ccccc1 ZINC000549351436 388578131 /nfs/dbraw/zinc/57/81/31/388578131.db2.gz MIXMITYTLRJGFN-INIZCTEOSA-N 1 0 249.398 3.741 20 0 BHADRO CO[C@H](C[N@H+](CC(C)C)C(C)C)c1ccccc1 ZINC000549351438 388577402 /nfs/dbraw/zinc/57/74/02/388577402.db2.gz MIXMITYTLRJGFN-MRXNPFEDSA-N 1 0 249.398 3.741 20 0 BHADRO CCc1ccc(C[N@H+](CCC(C)C)C2CC2)nc1 ZINC000549366560 388577620 /nfs/dbraw/zinc/57/76/20/388577620.db2.gz OLZYCCRHGRZGKD-UHFFFAOYSA-N 1 0 246.398 3.655 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000549366964 388578087 /nfs/dbraw/zinc/57/80/87/388578087.db2.gz DKUNWFUMSBGMDQ-DZGCQCFKSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000549366965 388577312 /nfs/dbraw/zinc/57/73/12/388577312.db2.gz DKUNWFUMSBGMDQ-HIFRSBDPSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000549366966 388578025 /nfs/dbraw/zinc/57/80/25/388578025.db2.gz DKUNWFUMSBGMDQ-UKRRQHHQSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000549366967 388577874 /nfs/dbraw/zinc/57/78/74/388577874.db2.gz DKUNWFUMSBGMDQ-ZFWWWQNUSA-N 1 0 247.382 3.706 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C2CCCCC2)nc1 ZINC000549367062 388577685 /nfs/dbraw/zinc/57/76/85/388577685.db2.gz VODHYSWEUOQBEN-UHFFFAOYSA-N 1 0 246.398 3.799 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000549367081 388577976 /nfs/dbraw/zinc/57/79/76/388577976.db2.gz WZRVLYMOIPKLRA-HNNXBMFYSA-N 1 0 233.355 3.909 20 0 BHADRO Cc1occc1C[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000549367082 388578039 /nfs/dbraw/zinc/57/80/39/388578039.db2.gz WZRVLYMOIPKLRA-OAHLLOKOSA-N 1 0 233.355 3.909 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(C(C)C)nc1CC ZINC000549367121 388577807 /nfs/dbraw/zinc/57/78/07/388577807.db2.gz YRGNXDVAWAHPFC-UHFFFAOYSA-N 1 0 248.414 3.999 20 0 BHADRO CC(C)COc1ccccc1C[NH+]1CCCCC1 ZINC000549377767 325501606 /nfs/dbraw/zinc/50/16/06/325501606.db2.gz OJQQZFMLJLCESY-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO C[N@H+](CCC(F)(F)F)[C@@H]1C=CCCCCC1 ZINC000549405363 388578460 /nfs/dbraw/zinc/57/84/60/388578460.db2.gz MVXIRFQTKXOXQP-LLVKDONJSA-N 1 0 235.293 3.760 20 0 BHADRO C[N@H+](CCC(F)(F)F)[C@H]1C=CCCCCC1 ZINC000549405364 388578631 /nfs/dbraw/zinc/57/86/31/388578631.db2.gz MVXIRFQTKXOXQP-NSHDSACASA-N 1 0 235.293 3.760 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000549406534 388578717 /nfs/dbraw/zinc/57/87/17/388578717.db2.gz AJZZTQQLSAHEPP-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ncccc1C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000549406535 388578722 /nfs/dbraw/zinc/57/87/22/388578722.db2.gz AJZZTQQLSAHEPP-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccco1 ZINC000549407179 388578838 /nfs/dbraw/zinc/57/88/38/388578838.db2.gz CMCXGBKNTHMGGP-GFCCVEGCSA-N 1 0 221.344 3.680 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000549408049 388578484 /nfs/dbraw/zinc/57/84/84/388578484.db2.gz JZINPBJPAPWLCA-BZPMIXESSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000549408063 388579206 /nfs/dbraw/zinc/57/92/06/388579206.db2.gz JZINPBJPAPWLCA-YRGRVCCFSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)CCOc1ccc(C[NH+]2CC(C)C2)cc1 ZINC000549410344 325502649 /nfs/dbraw/zinc/50/26/49/325502649.db2.gz ZAGWUNXUMZFKSW-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(C)C)nc1 ZINC000549445857 388580366 /nfs/dbraw/zinc/58/03/66/388580366.db2.gz DEWCROMQTXBVMO-INIZCTEOSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)C)nc1 ZINC000549445858 388579812 /nfs/dbraw/zinc/57/98/12/388579812.db2.gz DEWCROMQTXBVMO-MRXNPFEDSA-N 1 0 246.398 3.655 20 0 BHADRO C[N@@H+](Cc1cccc(F)c1Cl)CC1CCC1 ZINC000549446492 388580697 /nfs/dbraw/zinc/58/06/97/388580697.db2.gz TZHDSOYJVQGLIC-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC(CC)(CC)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549452530 388579447 /nfs/dbraw/zinc/57/94/47/388579447.db2.gz SYKJSKAIYNTZPL-NSHDSACASA-N 1 0 249.345 3.516 20 0 BHADRO CCc1ccc(C[N@H+]2CCCCC[C@@H]2CC)nc1 ZINC000549464835 388581041 /nfs/dbraw/zinc/58/10/41/388581041.db2.gz HQYPKMOOHDXKBI-INIZCTEOSA-N 1 0 246.398 3.799 20 0 BHADRO CCc1ccc(C[N@H+]2CCCCC[C@H]2CC)nc1 ZINC000549464836 388581820 /nfs/dbraw/zinc/58/18/20/388581820.db2.gz HQYPKMOOHDXKBI-MRXNPFEDSA-N 1 0 246.398 3.799 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)[C@H]1C ZINC000549470102 388581587 /nfs/dbraw/zinc/58/15/87/388581587.db2.gz VSDLRAPSTWGEQX-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)[C@@H]1C ZINC000549470103 388581334 /nfs/dbraw/zinc/58/13/34/388581334.db2.gz VSDLRAPSTWGEQX-MCIONIFRSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)[C@@H]1C ZINC000549470104 388580984 /nfs/dbraw/zinc/58/09/84/388580984.db2.gz VSDLRAPSTWGEQX-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)[C@H]1C ZINC000549470105 388581411 /nfs/dbraw/zinc/58/14/11/388581411.db2.gz VSDLRAPSTWGEQX-RDBSUJKOSA-N 1 0 207.361 3.606 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2ccc(CC)cn2)C1 ZINC000549471425 388581267 /nfs/dbraw/zinc/58/12/67/388581267.db2.gz LHYBAOHBAZGORP-HNNXBMFYSA-N 1 0 246.398 3.656 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2ccc(CC)cn2)C1 ZINC000549471433 388581606 /nfs/dbraw/zinc/58/16/06/388581606.db2.gz LHYBAOHBAZGORP-OAHLLOKOSA-N 1 0 246.398 3.656 20 0 BHADRO Cc1ccc(CC[NH2+]C(C2CCC2)C2CCC2)o1 ZINC000549526017 325506364 /nfs/dbraw/zinc/50/63/64/325506364.db2.gz FRGUARULVUQZPL-UHFFFAOYSA-N 1 0 247.382 3.689 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1cccnc1)C1CCCCC1 ZINC000549531504 388583578 /nfs/dbraw/zinc/58/35/78/388583578.db2.gz CPKTXWZHVRNEAR-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H](C[N@H+](C)Cc1cccnc1)C1CCCCC1 ZINC000549531505 388583136 /nfs/dbraw/zinc/58/31/36/388583136.db2.gz CPKTXWZHVRNEAR-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(CC)cn1 ZINC000549545453 388584723 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388585439 /nfs/dbraw/zinc/58/54/39/388585439.db2.gz FDENRFPYUOWYLH-KBPBESRZSA-N 1 0 239.428 3.703 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)CCS1 ZINC000549611769 388585403 /nfs/dbraw/zinc/58/54/03/388585403.db2.gz FDENRFPYUOWYLH-KGLIPLIRSA-N 1 0 239.428 3.703 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)CCS1 ZINC000549611770 388585629 /nfs/dbraw/zinc/58/56/29/388585629.db2.gz FDENRFPYUOWYLH-UONOGXRCSA-N 1 0 239.428 3.703 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)CCS1 ZINC000549611771 388585298 /nfs/dbraw/zinc/58/52/98/388585298.db2.gz FDENRFPYUOWYLH-ZIAGYGMSSA-N 1 0 239.428 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624329 388586259 /nfs/dbraw/zinc/58/62/59/388586259.db2.gz GOWCBJJLLNPPPE-BPUTZDHNSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624333 325510428 /nfs/dbraw/zinc/51/04/28/325510428.db2.gz GOWCBJJLLNPPPE-KBMXLJTQSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624996 388586236 /nfs/dbraw/zinc/58/62/36/388586236.db2.gz NDSWPLNHVQCHAJ-HJWJTTGWSA-N 1 0 241.378 3.877 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624997 388586488 /nfs/dbraw/zinc/58/64/88/388586488.db2.gz NDSWPLNHVQCHAJ-IWCQGFGOSA-N 1 0 241.378 3.877 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624998 388586344 /nfs/dbraw/zinc/58/63/44/388586344.db2.gz NDSWPLNHVQCHAJ-ORQFMDKSSA-N 1 0 241.378 3.877 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624999 325510386 /nfs/dbraw/zinc/51/03/86/325510386.db2.gz NDSWPLNHVQCHAJ-SIXLDLHFSA-N 1 0 241.378 3.877 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549625144 388586733 /nfs/dbraw/zinc/58/67/33/388586733.db2.gz HRHMMRYOOKMYSY-AHDPXTMNSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000549625146 325510424 /nfs/dbraw/zinc/51/04/24/325510424.db2.gz HRHMMRYOOKMYSY-DGAVXFQQSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549625149 325510366 /nfs/dbraw/zinc/51/03/66/325510366.db2.gz HRHMMRYOOKMYSY-RMEBNNNOSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000549625152 325510498 /nfs/dbraw/zinc/51/04/98/325510498.db2.gz HRHMMRYOOKMYSY-XUXIUFHCSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626197 388586406 /nfs/dbraw/zinc/58/64/06/388586406.db2.gz SNTZTPWIJAMODS-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626198 388586539 /nfs/dbraw/zinc/58/65/39/388586539.db2.gz SNTZTPWIJAMODS-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000549627200 325510542 /nfs/dbraw/zinc/51/05/42/325510542.db2.gz YKCHVUFEDXVKCM-LXTVHRRPSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000549627201 325510379 /nfs/dbraw/zinc/51/03/79/325510379.db2.gz YKCHVUFEDXVKCM-NFAWXSAZSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000549627202 388586587 /nfs/dbraw/zinc/58/65/87/388586587.db2.gz YKCHVUFEDXVKCM-XGUBFFRZSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+]CCC1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000549627203 388586239 /nfs/dbraw/zinc/58/62/39/388586239.db2.gz YKCHVUFEDXVKCM-YDHLFZDLSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC000549688958 325511856 /nfs/dbraw/zinc/51/18/56/325511856.db2.gz UFLDPLUQQPINGU-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC000549688959 388588563 /nfs/dbraw/zinc/58/85/63/388588563.db2.gz UFLDPLUQQPINGU-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO CC[N@H+](Cc1ccc(COC)cc1)CC(C)(C)C ZINC000549718108 388588863 /nfs/dbraw/zinc/58/88/63/388588863.db2.gz WGOZZLSQLHNUGY-UHFFFAOYSA-N 1 0 249.398 3.701 20 0 BHADRO CCCC[N@H+](C)Cc1cccc(F)c1Cl ZINC000549750396 388589249 /nfs/dbraw/zinc/58/92/49/388589249.db2.gz CJTAYUXOQVUDLY-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC[N@@H+](Cc1ccc(C(C)C)nc1C)CC(C)C ZINC000549770383 388590031 /nfs/dbraw/zinc/59/00/31/388590031.db2.gz BAEDHSBCHIDSOF-UHFFFAOYSA-N 1 0 248.414 3.991 20 0 BHADRO CCc1ccc(C[NH+](CC(C)C)CC(C)C)nc1 ZINC000549770582 325515079 /nfs/dbraw/zinc/51/50/79/325515079.db2.gz OPIUYHXLPIIELU-UHFFFAOYSA-N 1 0 248.414 3.758 20 0 BHADRO COC1(CC[NH+](CC(C)C)CC(C)C)CCC1 ZINC000549770698 325515085 /nfs/dbraw/zinc/51/50/85/325515085.db2.gz YISQGEQVNHYDCI-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000549780378 388590463 /nfs/dbraw/zinc/59/04/63/388590463.db2.gz MZOMFMOOOGAOGW-GFCCVEGCSA-N 1 0 249.423 3.795 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000549780379 325515714 /nfs/dbraw/zinc/51/57/14/325515714.db2.gz MZOMFMOOOGAOGW-LBPRGKRZSA-N 1 0 249.423 3.795 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1OCC(C)C ZINC000549781010 388591767 /nfs/dbraw/zinc/59/17/67/388591767.db2.gz CZHUTDHKBJGRHR-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CC(C)COc1ccccc1C[N@H+](C)CC1CC1 ZINC000549781360 388591572 /nfs/dbraw/zinc/59/15/72/388591572.db2.gz HQWVUGCNMNDVON-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[N@H+](Cc1cccc(F)c1Cl)C1CC1 ZINC000549806103 388591788 /nfs/dbraw/zinc/59/17/88/388591788.db2.gz UKXIKIAQDWKUBW-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO Cc1ccc(-c2ccc(C[NH+]3CC(C)C3)o2)cc1 ZINC000549810936 388591860 /nfs/dbraw/zinc/59/18/60/388591860.db2.gz ZTPFVJLBCAZPSL-UHFFFAOYSA-N 1 0 241.334 3.707 20 0 BHADRO CCc1ccc(C[N@H+](C2CC2)C2CCCC2)nc1 ZINC000549821963 388592559 /nfs/dbraw/zinc/59/25/59/388592559.db2.gz KQKBYIBLKYFRMB-UHFFFAOYSA-N 1 0 244.382 3.551 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000549843758 388592517 /nfs/dbraw/zinc/59/25/17/388592517.db2.gz QIZIAXJAIHTYDO-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000549843759 388592415 /nfs/dbraw/zinc/59/24/15/388592415.db2.gz QIZIAXJAIHTYDO-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000549843760 388592510 /nfs/dbraw/zinc/59/25/10/388592510.db2.gz QIZIAXJAIHTYDO-ORQFMDKSSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000549843761 388592260 /nfs/dbraw/zinc/59/22/60/388592260.db2.gz QIZIAXJAIHTYDO-SIXLDLHFSA-N 1 0 243.394 3.958 20 0 BHADRO CC[N@H+](CC1CC1)[C@H]1C=CCCCCC1 ZINC000549844143 388593009 /nfs/dbraw/zinc/59/30/09/388593009.db2.gz FZMFFPBEXXGKEN-AWEZNQCLSA-N 1 0 207.361 3.607 20 0 BHADRO CC[N@H+](CC1CC1)[C@@H]1C=CCCCCC1 ZINC000549844144 388592466 /nfs/dbraw/zinc/59/24/66/388592466.db2.gz FZMFFPBEXXGKEN-CQSZACIVSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H]1C[C@@H](CC[NH2+]CCC(C)(C)C)C[C@H](C)O1 ZINC000549848026 388592437 /nfs/dbraw/zinc/59/24/37/388592437.db2.gz OCKHHOIZBITRJI-BTTYYORXSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC(CC[NH2+]CCC(C)(C)C)C[C@@H](C)O1 ZINC000549848030 388592624 /nfs/dbraw/zinc/59/26/24/388592624.db2.gz OCKHHOIZBITRJI-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CC(CC[NH2+]CCC(C)(C)C)C[C@H](C)O1 ZINC000549848032 388592593 /nfs/dbraw/zinc/59/25/93/388592593.db2.gz OCKHHOIZBITRJI-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000549859002 388593850 /nfs/dbraw/zinc/59/38/50/388593850.db2.gz IWOLNSWKTRBEGQ-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000549859003 325517546 /nfs/dbraw/zinc/51/75/46/325517546.db2.gz IWOLNSWKTRBEGQ-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000549859004 325517841 /nfs/dbraw/zinc/51/78/41/325517841.db2.gz IWOLNSWKTRBEGQ-LLLHUVSDSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000549859005 325517589 /nfs/dbraw/zinc/51/75/89/325517589.db2.gz IWOLNSWKTRBEGQ-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO COc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cc1 ZINC000549859742 388594169 /nfs/dbraw/zinc/59/41/69/388594169.db2.gz LJLZTHCVHFDJDY-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCC1(OC)CCC1 ZINC000549859835 388593597 /nfs/dbraw/zinc/59/35/97/388593597.db2.gz CAIPRVPPYMJYFB-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCC1(OC)CCC1 ZINC000549859836 388593790 /nfs/dbraw/zinc/59/37/90/388593790.db2.gz CAIPRVPPYMJYFB-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000549865547 388594205 /nfs/dbraw/zinc/59/42/05/388594205.db2.gz ZVLAPUYGRPPGGI-BZPMIXESSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000549865566 388593839 /nfs/dbraw/zinc/59/38/39/388593839.db2.gz ZVLAPUYGRPPGGI-DYEKYZERSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000549865568 388593720 /nfs/dbraw/zinc/59/37/20/388593720.db2.gz ZVLAPUYGRPPGGI-MBNYWOFBSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000549865570 388593675 /nfs/dbraw/zinc/59/36/75/388593675.db2.gz ZVLAPUYGRPPGGI-YRGRVCCFSA-N 1 0 237.412 3.800 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]CC(C)(F)F ZINC000549865960 388593553 /nfs/dbraw/zinc/59/35/53/388593553.db2.gz IJOGWTVUKCLVPW-GFCCVEGCSA-N 1 0 241.325 3.500 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]CC(C)(F)F ZINC000549865961 325518020 /nfs/dbraw/zinc/51/80/20/325518020.db2.gz IJOGWTVUKCLVPW-LBPRGKRZSA-N 1 0 241.325 3.500 20 0 BHADRO COCCCCC[NH2+]C(C)(C)c1ccccc1C ZINC000549868139 388593918 /nfs/dbraw/zinc/59/39/18/388593918.db2.gz OQQZDZBQOBWJHR-UHFFFAOYSA-N 1 0 249.398 3.636 20 0 BHADRO CCCCOCC[NH2+]C(C)(C)c1ccccc1C ZINC000549869649 388593834 /nfs/dbraw/zinc/59/38/34/388593834.db2.gz WEKLPIMROJZIIA-UHFFFAOYSA-N 1 0 249.398 3.636 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000549876296 388594057 /nfs/dbraw/zinc/59/40/57/388594057.db2.gz CUJUEQXVXOXTPG-GFCCVEGCSA-N 1 0 247.313 3.784 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000549876297 388593861 /nfs/dbraw/zinc/59/38/61/388593861.db2.gz CUJUEQXVXOXTPG-LBPRGKRZSA-N 1 0 247.313 3.784 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1cccc2ccccc21 ZINC000549880285 325518042 /nfs/dbraw/zinc/51/80/42/325518042.db2.gz VKFFCIPVPSJYHS-GFCCVEGCSA-N 1 0 231.314 3.678 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1cccc2ccccc21 ZINC000549880296 325518002 /nfs/dbraw/zinc/51/80/02/325518002.db2.gz VKFFCIPVPSJYHS-LBPRGKRZSA-N 1 0 231.314 3.678 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC[C@@H](C)F)cc2c1C ZINC000549883221 388594199 /nfs/dbraw/zinc/59/41/99/388594199.db2.gz TVGHGUAVUMUNRS-LLVKDONJSA-N 1 0 248.345 3.622 20 0 BHADRO Cc1ccc2[nH]c(C[NH2+]CC[C@H](C)F)cc2c1C ZINC000549883222 388594022 /nfs/dbraw/zinc/59/40/22/388594022.db2.gz TVGHGUAVUMUNRS-NSHDSACASA-N 1 0 248.345 3.622 20 0 BHADRO CCc1ccc(CC[NH2+]C2(C(C)C)CC2)cc1 ZINC000549884303 388593772 /nfs/dbraw/zinc/59/37/72/388593772.db2.gz IAGFKVNJKZLPQS-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000549884524 325518050 /nfs/dbraw/zinc/51/80/50/325518050.db2.gz MYNHSHYVORMIQY-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000549884526 325518197 /nfs/dbraw/zinc/51/81/97/325518197.db2.gz MYNHSHYVORMIQY-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000549887734 388593291 /nfs/dbraw/zinc/59/32/91/388593291.db2.gz NQLKOFUJSWQOMH-OEAJRASXSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000549887738 325518645 /nfs/dbraw/zinc/51/86/45/325518645.db2.gz NQLKOFUJSWQOMH-QCEMKRCNSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000549887741 388593847 /nfs/dbraw/zinc/59/38/47/388593847.db2.gz NQLKOFUJSWQOMH-SYAUCNOPSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000549887743 388594117 /nfs/dbraw/zinc/59/41/17/388594117.db2.gz NQLKOFUJSWQOMH-TUUVXOQKSA-N 1 0 243.394 3.814 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000549890627 325518635 /nfs/dbraw/zinc/51/86/35/325518635.db2.gz ZDLKCMVKZKKNPU-PVAVHDDUSA-N 1 0 241.378 3.736 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000549890632 388593483 /nfs/dbraw/zinc/59/34/83/388593483.db2.gz ZDLKCMVKZKKNPU-XIRDDKMYSA-N 1 0 241.378 3.736 20 0 BHADRO C[N@H+](CCC1CC1)[C@H]1C=CCCCCC1 ZINC000549916674 388594485 /nfs/dbraw/zinc/59/44/85/388594485.db2.gz XWVYBJRFWGTXSL-AWEZNQCLSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](CCC1CC1)[C@@H]1C=CCCCCC1 ZINC000549916678 388594803 /nfs/dbraw/zinc/59/48/03/388594803.db2.gz XWVYBJRFWGTXSL-CQSZACIVSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000549919875 325518909 /nfs/dbraw/zinc/51/89/09/325518909.db2.gz WVXLUEWSRGPDOD-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000549919879 325519149 /nfs/dbraw/zinc/51/91/49/325519149.db2.gz WVXLUEWSRGPDOD-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000549919880 325519164 /nfs/dbraw/zinc/51/91/64/325519164.db2.gz WVXLUEWSRGPDOD-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000549919881 388594472 /nfs/dbraw/zinc/59/44/72/388594472.db2.gz WVXLUEWSRGPDOD-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H]1CCSC1)C1CCCCC1 ZINC000549921131 388594968 /nfs/dbraw/zinc/59/49/68/388594968.db2.gz MMGDJAGVLDUVIH-GXTWGEPZSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H]1CCSC1)C1CCCCC1 ZINC000549921132 388594883 /nfs/dbraw/zinc/59/48/83/388594883.db2.gz MMGDJAGVLDUVIH-JSGCOSHPSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@H](C[N@H+](C)[C@H]1CCSC1)C1CCCCC1 ZINC000549921133 388594878 /nfs/dbraw/zinc/59/48/78/388594878.db2.gz MMGDJAGVLDUVIH-OCCSQVGLSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H]1CCSC1)C1CCCCC1 ZINC000549921134 388594630 /nfs/dbraw/zinc/59/46/30/388594630.db2.gz MMGDJAGVLDUVIH-TZMCWYRMSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)[C@H]1C ZINC000549921424 388595011 /nfs/dbraw/zinc/59/50/11/388595011.db2.gz FYBCEHUDAAFBQP-BFVZDQMLSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)[C@@H]1C ZINC000549921425 388594888 /nfs/dbraw/zinc/59/48/88/388594888.db2.gz FYBCEHUDAAFBQP-GPCCPHFNSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)[C@H]1C ZINC000549921426 388594421 /nfs/dbraw/zinc/59/44/21/388594421.db2.gz FYBCEHUDAAFBQP-ISTVAULSSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)[C@@H]1C ZINC000549921427 388595059 /nfs/dbraw/zinc/59/50/59/388595059.db2.gz FYBCEHUDAAFBQP-RULNRJAQSA-N 1 0 235.758 3.668 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000549921636 388594757 /nfs/dbraw/zinc/59/47/57/388594757.db2.gz JDHIKLZWYGFRTP-COPLHBTASA-N 1 0 221.319 3.617 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000549921637 388594653 /nfs/dbraw/zinc/59/46/53/388594653.db2.gz JDHIKLZWYGFRTP-JTNHKYCSSA-N 1 0 221.319 3.617 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)[C@H]1C ZINC000549921638 388594442 /nfs/dbraw/zinc/59/44/42/388594442.db2.gz JDHIKLZWYGFRTP-MISXGVKJSA-N 1 0 221.319 3.617 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000549921639 388594796 /nfs/dbraw/zinc/59/47/96/388594796.db2.gz JDHIKLZWYGFRTP-UHIISALHSA-N 1 0 221.319 3.617 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000549923553 388595508 /nfs/dbraw/zinc/59/55/08/388595508.db2.gz GYJVQNWHSBLIFY-GMTAPVOTSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000549923559 388595420 /nfs/dbraw/zinc/59/54/20/388595420.db2.gz GYJVQNWHSBLIFY-MXWKQRLJSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000549923560 388595502 /nfs/dbraw/zinc/59/55/02/388595502.db2.gz GYJVQNWHSBLIFY-OUAUKWLOSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000549923561 388595325 /nfs/dbraw/zinc/59/53/25/388595325.db2.gz GYJVQNWHSBLIFY-VWYCJHECSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000549927825 325519703 /nfs/dbraw/zinc/51/97/03/325519703.db2.gz FQQFNRJXQAIMNT-COMQUAJESA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000549927826 388595490 /nfs/dbraw/zinc/59/54/90/388595490.db2.gz FQQFNRJXQAIMNT-SFDCQRBFSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(COC)cc1)C(C)(C)C ZINC000549929687 325519541 /nfs/dbraw/zinc/51/95/41/325519541.db2.gz MPHDDZJLRBQULV-HNNXBMFYSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(COC)cc1)C(C)(C)C ZINC000549929688 388595487 /nfs/dbraw/zinc/59/54/87/388595487.db2.gz MPHDDZJLRBQULV-OAHLLOKOSA-N 1 0 249.398 3.747 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000549931264 325519387 /nfs/dbraw/zinc/51/93/87/325519387.db2.gz IOIXHLADXZIBAU-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000549935361 388595192 /nfs/dbraw/zinc/59/51/92/388595192.db2.gz BDZUFJONMICZSZ-FPCVCCKLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000549935362 325520078 /nfs/dbraw/zinc/52/00/78/325520078.db2.gz BDZUFJONMICZSZ-JJXSEGSLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000549935363 325519883 /nfs/dbraw/zinc/51/98/83/325519883.db2.gz BDZUFJONMICZSZ-JONQDZQNSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000549935364 325520083 /nfs/dbraw/zinc/52/00/83/325520083.db2.gz BDZUFJONMICZSZ-QXSJWSMHSA-N 1 0 247.357 3.803 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000549935885 388595835 /nfs/dbraw/zinc/59/58/35/388595835.db2.gz GYVRYVUWECGYKY-LSDHHAIUSA-N 1 0 235.346 3.790 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2F)cc1C ZINC000549936225 325520127 /nfs/dbraw/zinc/52/01/27/325520127.db2.gz RHJGLVYAYAUDPG-CABCVRRESA-N 1 0 235.346 3.592 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000549936353 388595861 /nfs/dbraw/zinc/59/58/61/388595861.db2.gz UHVULJQFMBWNGV-JKSUJKDBSA-N 1 0 247.357 3.546 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000549936953 388595918 /nfs/dbraw/zinc/59/59/18/388595918.db2.gz PPJGRHFEFCZCMN-OAGGEKHMSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000549936954 325520198 /nfs/dbraw/zinc/52/01/98/325520198.db2.gz PPJGRHFEFCZCMN-XHSDSOJGSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000549937094 388595592 /nfs/dbraw/zinc/59/55/92/388595592.db2.gz PPJGRHFEFCZCMN-HRCADAONSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000549937095 388595275 /nfs/dbraw/zinc/59/52/75/388595275.db2.gz PPJGRHFEFCZCMN-OWCLPIDISA-N 1 0 249.373 3.906 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000549937285 325519935 /nfs/dbraw/zinc/51/99/35/325519935.db2.gz SJZVGORODSLVQP-CVEARBPZSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000549937742 325520086 /nfs/dbraw/zinc/52/00/86/325520086.db2.gz UHVULJQFMBWNGV-CVEARBPZSA-N 1 0 247.357 3.546 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1ccno1 ZINC000549988490 388596636 /nfs/dbraw/zinc/59/66/36/388596636.db2.gz TUQAOTGQDRJPFX-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1ccno1 ZINC000549988491 388596882 /nfs/dbraw/zinc/59/68/82/388596882.db2.gz TUQAOTGQDRJPFX-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cnc[nH]1 ZINC000549988726 388596375 /nfs/dbraw/zinc/59/63/75/388596375.db2.gz UXTQWECEUXJOCD-CYBMUJFWSA-N 1 0 237.391 3.591 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cnc[nH]1 ZINC000549988727 388597109 /nfs/dbraw/zinc/59/71/09/388597109.db2.gz UXTQWECEUXJOCD-ZDUSSCGKSA-N 1 0 237.391 3.591 20 0 BHADRO COCc1ccc(C[N@H+](C)C2(C)CCCC2)cc1 ZINC000550000095 388596666 /nfs/dbraw/zinc/59/66/66/388596666.db2.gz NYZZBDXRUZDTQQ-UHFFFAOYSA-N 1 0 247.382 3.598 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CF ZINC000550028089 388596670 /nfs/dbraw/zinc/59/66/70/388596670.db2.gz BJFIDMWYBCEEDK-KBPBESRZSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CF ZINC000550028091 388596615 /nfs/dbraw/zinc/59/66/15/388596615.db2.gz BJFIDMWYBCEEDK-KGLIPLIRSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CF ZINC000550028093 388596299 /nfs/dbraw/zinc/59/62/99/388596299.db2.gz BJFIDMWYBCEEDK-UONOGXRCSA-N 1 0 239.309 3.711 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CF ZINC000550028094 388596816 /nfs/dbraw/zinc/59/68/16/388596816.db2.gz BJFIDMWYBCEEDK-ZIAGYGMSSA-N 1 0 239.309 3.711 20 0 BHADRO CCCc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1 ZINC000550028694 388596690 /nfs/dbraw/zinc/59/66/90/388596690.db2.gz IRYYMOGKWYGVPQ-HNNXBMFYSA-N 1 0 235.346 3.573 20 0 BHADRO CCCc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC000550028695 388596607 /nfs/dbraw/zinc/59/66/07/388596607.db2.gz IRYYMOGKWYGVPQ-OAHLLOKOSA-N 1 0 235.346 3.573 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@@H](CC3CC3)C2)cs1 ZINC000550048633 388597387 /nfs/dbraw/zinc/59/73/87/388597387.db2.gz HEPPRDFYFYPWSO-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO c1cc(CCC[N@@H+]2CC[C@H](CC3CC3)C2)cs1 ZINC000550048639 388597478 /nfs/dbraw/zinc/59/74/78/388597478.db2.gz HEPPRDFYFYPWSO-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+]C1CCCC1 ZINC000550080521 325522650 /nfs/dbraw/zinc/52/26/50/325522650.db2.gz SYGQEJZZNOXWCL-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C(CC)CC)nc1 ZINC000550105078 388598247 /nfs/dbraw/zinc/59/82/47/388598247.db2.gz IGGXBNMKAYMTMO-UHFFFAOYSA-N 1 0 234.387 3.655 20 0 BHADRO CCc1ccc(C[N@@H+](CC)CC(C)(C)C)nc1 ZINC000550105685 388598515 /nfs/dbraw/zinc/59/85/15/388598515.db2.gz RKOPXZGIAXBHJJ-UHFFFAOYSA-N 1 0 234.387 3.512 20 0 BHADRO CC(F)(F)c1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000550227244 388602550 /nfs/dbraw/zinc/60/25/50/388602550.db2.gz DSQBFEJEYOECSP-UHFFFAOYSA-N 1 0 239.309 3.688 20 0 BHADRO C[C@@]1(C[NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000550251611 325527225 /nfs/dbraw/zinc/52/72/25/325527225.db2.gz HIPCQQXOUFQEAS-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO Cc1cc2cc(C[NH2+]CC[C@@H](C)F)oc2cc1C ZINC000550269862 388603624 /nfs/dbraw/zinc/60/36/24/388603624.db2.gz SPIFOCDBGVKZPX-GFCCVEGCSA-N 1 0 249.329 3.887 20 0 BHADRO Cc1cc2cc(C[NH2+]CC[C@H](C)F)oc2cc1C ZINC000550269863 388603103 /nfs/dbraw/zinc/60/31/03/388603103.db2.gz SPIFOCDBGVKZPX-LBPRGKRZSA-N 1 0 249.329 3.887 20 0 BHADRO c1c2ccccc2sc1CC[NH2+]C1CCCC1 ZINC000550273426 325527629 /nfs/dbraw/zinc/52/76/29/325527629.db2.gz PWJVOOTWEUIONS-UHFFFAOYSA-N 1 0 245.391 3.976 20 0 BHADRO CC(C)C1([NH2+]CCCCOc2ccccc2)CC1 ZINC000550273903 388604536 /nfs/dbraw/zinc/60/45/36/388604536.db2.gz PEUNKLLDPKCAMN-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000550305924 388605781 /nfs/dbraw/zinc/60/57/81/388605781.db2.gz LOZIGKWMTRMPMS-DMOGRIERSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)[C@H]1C ZINC000550305927 388605434 /nfs/dbraw/zinc/60/54/34/388605434.db2.gz LOZIGKWMTRMPMS-JYBOHDQNSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)[C@H]1C ZINC000550305928 388605279 /nfs/dbraw/zinc/60/52/79/388605279.db2.gz LOZIGKWMTRMPMS-QKEWWQLBSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)[C@@H]1C ZINC000550305929 388605762 /nfs/dbraw/zinc/60/57/62/388605762.db2.gz LOZIGKWMTRMPMS-QYNFOATHSA-N 1 0 249.320 3.695 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000550306107 388605449 /nfs/dbraw/zinc/60/54/49/388605449.db2.gz QDSNVNUURJLAMJ-CHWSQXEVSA-N 1 0 246.398 3.608 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000550306108 388605421 /nfs/dbraw/zinc/60/54/21/388605421.db2.gz QDSNVNUURJLAMJ-OLZOCXBDSA-N 1 0 246.398 3.608 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000550306109 388605821 /nfs/dbraw/zinc/60/58/21/388605821.db2.gz QDSNVNUURJLAMJ-QWHCGFSZSA-N 1 0 246.398 3.608 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000550306110 388605275 /nfs/dbraw/zinc/60/52/75/388605275.db2.gz QDSNVNUURJLAMJ-STQMWFEESA-N 1 0 246.398 3.608 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000550319451 487731046 /nfs/dbraw/zinc/73/10/46/487731046.db2.gz BCVDXQXBXDDNSJ-DRZSPHRISA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1CC1 ZINC000550319454 325529007 /nfs/dbraw/zinc/52/90/07/325529007.db2.gz BCVDXQXBXDDNSJ-RAIGVLPGSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2F)cc1C ZINC000550320053 325528888 /nfs/dbraw/zinc/52/88/88/325528888.db2.gz RHJGLVYAYAUDPG-LSDHHAIUSA-N 1 0 235.346 3.592 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000550320188 487730891 /nfs/dbraw/zinc/73/08/91/487730891.db2.gz MCVSGRWVMXOCNK-IMKYVTMTSA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000550320194 487730978 /nfs/dbraw/zinc/73/09/78/487730978.db2.gz MCVSGRWVMXOCNK-LNKCYATRSA-N 1 0 233.330 3.570 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000550321048 325529016 /nfs/dbraw/zinc/52/90/16/325529016.db2.gz NEKPIKDGYGUXOG-QWHCGFSZSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550321545 490188060 /nfs/dbraw/zinc/18/80/60/490188060.db2.gz ZIFBNPOKTAOCHN-JKSUJKDBSA-N 1 0 247.357 3.934 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2F)c(C)c1 ZINC000550322796 487730765 /nfs/dbraw/zinc/73/07/65/487730765.db2.gz KUABRIKRTLDCSD-CABCVRRESA-N 1 0 235.346 3.592 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000550392972 388607393 /nfs/dbraw/zinc/60/73/93/388607393.db2.gz PJZVSLQVJKXFDF-GFCCVEGCSA-N 1 0 249.354 3.835 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000550392973 388607208 /nfs/dbraw/zinc/60/72/08/388607208.db2.gz PJZVSLQVJKXFDF-LBPRGKRZSA-N 1 0 249.354 3.835 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000550409570 388607455 /nfs/dbraw/zinc/60/74/55/388607455.db2.gz OUEIKXFCZWDXAY-INIZCTEOSA-N 1 0 243.325 3.774 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000550409571 388607951 /nfs/dbraw/zinc/60/79/51/388607951.db2.gz OUEIKXFCZWDXAY-MRXNPFEDSA-N 1 0 243.325 3.774 20 0 BHADRO C[C@H](C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000550444030 388608568 /nfs/dbraw/zinc/60/85/68/388608568.db2.gz KARCAGWHULTOMQ-GMTAPVOTSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H](C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000550444033 388608563 /nfs/dbraw/zinc/60/85/63/388608563.db2.gz KARCAGWHULTOMQ-MXWKQRLJSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H](C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000550444034 388608256 /nfs/dbraw/zinc/60/82/56/388608256.db2.gz KARCAGWHULTOMQ-OUAUKWLOSA-N 1 0 249.320 3.695 20 0 BHADRO C[C@H](C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000550444035 388609061 /nfs/dbraw/zinc/60/90/61/388609061.db2.gz KARCAGWHULTOMQ-VWYCJHECSA-N 1 0 249.320 3.695 20 0 BHADRO CCCC[N@H+](CCC(C)(C)O)C1CCCCC1 ZINC000550524858 388610849 /nfs/dbraw/zinc/61/08/49/388610849.db2.gz MZUWYEZXWSZVDM-UHFFFAOYSA-N 1 0 241.419 3.582 20 0 BHADRO CCC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000550583591 388611335 /nfs/dbraw/zinc/61/13/35/388611335.db2.gz SRBUGFFDBOSPIN-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO Cc1cc(C)c(C[N@@H+](C)[C@H](C)C2CC2)c(C)c1 ZINC000550675028 388613535 /nfs/dbraw/zinc/61/35/35/388613535.db2.gz RFFUAMCNUOWVQW-CQSZACIVSA-N 1 0 231.383 3.842 20 0 BHADRO CCCOc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000550678187 388613421 /nfs/dbraw/zinc/61/34/21/388613421.db2.gz CORWQZVOFIZKDU-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CCCOc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000550678189 388613787 /nfs/dbraw/zinc/61/37/87/388613787.db2.gz CORWQZVOFIZKDU-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO C[N@H+](C[C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000550679998 388613619 /nfs/dbraw/zinc/61/36/19/388613619.db2.gz FMPCUTAQGFCVSX-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO C[N@H+](C[C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000550679999 388613384 /nfs/dbraw/zinc/61/33/84/388613384.db2.gz FMPCUTAQGFCVSX-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000550680706 388613277 /nfs/dbraw/zinc/61/32/77/388613277.db2.gz INYJGPWSTUHHEH-NEPJUHHUSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000550680707 388613401 /nfs/dbraw/zinc/61/34/01/388613401.db2.gz INYJGPWSTUHHEH-NWDGAFQWSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000550680709 388613234 /nfs/dbraw/zinc/61/32/34/388613234.db2.gz INYJGPWSTUHHEH-RYUDHWBXSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000550680711 388613409 /nfs/dbraw/zinc/61/34/09/388613409.db2.gz INYJGPWSTUHHEH-VXGBXAGGSA-N 1 0 231.330 3.686 20 0 BHADRO CCCCC[N@H+](CCc1cscn1)C(C)C ZINC000550680754 388613325 /nfs/dbraw/zinc/61/33/25/388613325.db2.gz QMZGDGNYFXLLIR-UHFFFAOYSA-N 1 0 240.416 3.586 20 0 BHADRO CC1CCC([N@H+](C)C[C@H]2CCC(F)(F)C2)CC1 ZINC000550706452 388613944 /nfs/dbraw/zinc/61/39/44/388613944.db2.gz HCCIHUQTZYRBIC-CPCZMJQVSA-N 1 0 245.357 3.932 20 0 BHADRO CC1CCC([N@H+](C)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000550706453 388613129 /nfs/dbraw/zinc/61/31/29/388613129.db2.gz HCCIHUQTZYRBIC-OTTFEQOBSA-N 1 0 245.357 3.932 20 0 BHADRO CC1(C)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000550707709 388613976 /nfs/dbraw/zinc/61/39/76/388613976.db2.gz XROGUMUEBOFWFR-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CC1(C)CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000550707710 388613844 /nfs/dbraw/zinc/61/38/44/388613844.db2.gz XROGUMUEBOFWFR-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550820154 388615428 /nfs/dbraw/zinc/61/54/28/388615428.db2.gz XWVVSRCNCFYSDV-HZSPNIEDSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550820155 388615466 /nfs/dbraw/zinc/61/54/66/388615466.db2.gz XWVVSRCNCFYSDV-MCIONIFRSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550820156 388615311 /nfs/dbraw/zinc/61/53/11/388615311.db2.gz XWVVSRCNCFYSDV-MGPQQGTHSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550820157 388615483 /nfs/dbraw/zinc/61/54/83/388615483.db2.gz XWVVSRCNCFYSDV-RDBSUJKOSA-N 1 0 239.378 3.970 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000550826393 325540055 /nfs/dbraw/zinc/54/00/55/325540055.db2.gz DRQHJKMBDFNNDA-DZGCQCFKSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000550826394 325540050 /nfs/dbraw/zinc/54/00/50/325540050.db2.gz DRQHJKMBDFNNDA-HIFRSBDPSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000550826395 325540337 /nfs/dbraw/zinc/54/03/37/325540337.db2.gz DRQHJKMBDFNNDA-UKRRQHHQSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000550826396 388615367 /nfs/dbraw/zinc/61/53/67/388615367.db2.gz DRQHJKMBDFNNDA-ZFWWWQNUSA-N 1 0 243.350 3.957 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000550831396 388615687 /nfs/dbraw/zinc/61/56/87/388615687.db2.gz VRDJEBQNEUSNEI-IHRRRGAJSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccn2)CC1 ZINC000550831397 325540189 /nfs/dbraw/zinc/54/01/89/325540189.db2.gz VRDJEBQNEUSNEI-MGPQQGTHSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1(C)CC1 ZINC000550832089 388615711 /nfs/dbraw/zinc/61/57/11/388615711.db2.gz BLSWDQZZALXMAD-UXIGCNINSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1(C)CC1 ZINC000550832090 388615720 /nfs/dbraw/zinc/61/57/20/388615720.db2.gz BLSWDQZZALXMAD-WHOFXGATSA-N 1 0 247.357 3.850 20 0 BHADRO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000550833464 388615220 /nfs/dbraw/zinc/61/52/20/388615220.db2.gz XULHJVGHRWYAEV-SAZUREKKSA-N 1 0 247.357 3.994 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@]1(C)CCCO1 ZINC000550848351 325541025 /nfs/dbraw/zinc/54/10/25/325541025.db2.gz SGPNYLBBSUASAB-DOMZBBRYSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@]1(C)CCCO1 ZINC000550848352 388615489 /nfs/dbraw/zinc/61/54/89/388615489.db2.gz SGPNYLBBSUASAB-IUODEOHRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@]1(C)CCCO1 ZINC000550848353 325541062 /nfs/dbraw/zinc/54/10/62/325541062.db2.gz SGPNYLBBSUASAB-SWLSCSKDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@]1(C)CCCO1 ZINC000550848354 325541073 /nfs/dbraw/zinc/54/10/73/325541073.db2.gz SGPNYLBBSUASAB-WFASDCNBSA-N 1 0 241.419 3.606 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000550857616 388616655 /nfs/dbraw/zinc/61/66/55/388616655.db2.gz CHEUUCSNNUDIDE-CHWSQXEVSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000550857617 388616068 /nfs/dbraw/zinc/61/60/68/388616068.db2.gz CHEUUCSNNUDIDE-OLZOCXBDSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000550857618 388616491 /nfs/dbraw/zinc/61/64/91/388616491.db2.gz CHEUUCSNNUDIDE-QWHCGFSZSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000550857619 325541236 /nfs/dbraw/zinc/54/12/36/325541236.db2.gz CHEUUCSNNUDIDE-STQMWFEESA-N 1 0 239.309 3.568 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550858548 325541331 /nfs/dbraw/zinc/54/13/31/325541331.db2.gz AOZYQKQBMSPKDL-BPUTZDHNSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550858549 388616503 /nfs/dbraw/zinc/61/65/03/388616503.db2.gz AOZYQKQBMSPKDL-KBMXLJTQSA-N 1 0 231.383 3.958 20 0 BHADRO CCC(CC)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550858776 325541342 /nfs/dbraw/zinc/54/13/42/325541342.db2.gz KMYZUEDSGLVHBQ-HOTGVXAUSA-N 1 0 231.383 3.958 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC1(COC)CCC1 ZINC000550861061 388616246 /nfs/dbraw/zinc/61/62/46/388616246.db2.gz VFRRXNVDWWONSV-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC1(COC)CCC1 ZINC000550861062 388616512 /nfs/dbraw/zinc/61/65/12/388616512.db2.gz VFRRXNVDWWONSV-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000550862393 325541740 /nfs/dbraw/zinc/54/17/40/325541740.db2.gz JMUDWXIHZIACEV-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000550862394 325541818 /nfs/dbraw/zinc/54/18/18/325541818.db2.gz JMUDWXIHZIACEV-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000550862395 388616269 /nfs/dbraw/zinc/61/62/69/388616269.db2.gz JMUDWXIHZIACEV-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000550862396 388616709 /nfs/dbraw/zinc/61/67/09/388616709.db2.gz JMUDWXIHZIACEV-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000550863223 388616027 /nfs/dbraw/zinc/61/60/27/388616027.db2.gz ODIXZTALDSQLGY-UXLLHSPISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000550863227 325541769 /nfs/dbraw/zinc/54/17/69/325541769.db2.gz ODIXZTALDSQLGY-ZOBUZTSGSA-N 1 0 243.394 3.958 20 0 BHADRO COC1(CC[NH2+][C@@H](C)CCC=C(C)C)CCC1 ZINC000550863833 325541824 /nfs/dbraw/zinc/54/18/24/325541824.db2.gz VRFAIQGHAIWWGV-AWEZNQCLSA-N 1 0 239.403 3.670 20 0 BHADRO COC1(CC[NH2+][C@H](C)CCC=C(C)C)CCC1 ZINC000550863835 325541789 /nfs/dbraw/zinc/54/17/89/325541789.db2.gz VRFAIQGHAIWWGV-CQSZACIVSA-N 1 0 239.403 3.670 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000550863857 325541822 /nfs/dbraw/zinc/54/18/22/325541822.db2.gz VXSWMUFFGYEQOE-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000550863858 325541788 /nfs/dbraw/zinc/54/17/88/325541788.db2.gz VXSWMUFFGYEQOE-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000550863859 325541830 /nfs/dbraw/zinc/54/18/30/325541830.db2.gz VXSWMUFFGYEQOE-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000550863861 325539889 /nfs/dbraw/zinc/53/98/89/325539889.db2.gz VXSWMUFFGYEQOE-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC[C@@H](C)F)C2CC2)cc1 ZINC000550881984 325542263 /nfs/dbraw/zinc/54/22/63/325542263.db2.gz GKERQTXXMVARQN-DOMZBBRYSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC[C@@H](C)F)C2CC2)cc1 ZINC000550881985 388616526 /nfs/dbraw/zinc/61/65/26/388616526.db2.gz GKERQTXXMVARQN-IUODEOHRSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccc([C@@H]([NH2+]CC[C@H](C)F)C2CC2)cc1 ZINC000550881986 388616296 /nfs/dbraw/zinc/61/62/96/388616296.db2.gz GKERQTXXMVARQN-SWLSCSKDSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccc([C@H]([NH2+]CC[C@H](C)F)C2CC2)cc1 ZINC000550881987 388616605 /nfs/dbraw/zinc/61/66/05/388616605.db2.gz GKERQTXXMVARQN-WFASDCNBSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC[C@H](C)F)C2)cc1 ZINC000550882028 388616001 /nfs/dbraw/zinc/61/60/01/388616001.db2.gz GRKVQAWTVKHDLL-GRTSSRMGSA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC[C@@H](C)F)C2)cc1 ZINC000550882029 325541859 /nfs/dbraw/zinc/54/18/59/325541859.db2.gz GRKVQAWTVKHDLL-LRVUVFPRSA-N 1 0 235.346 3.579 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000550882430 325542220 /nfs/dbraw/zinc/54/22/20/325542220.db2.gz NQQNZZNJSWMXHJ-AEGPPILISA-N 1 0 249.373 3.906 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000550882432 388616578 /nfs/dbraw/zinc/61/65/78/388616578.db2.gz NQQNZZNJSWMXHJ-CFVMTHIKSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000550882434 325542018 /nfs/dbraw/zinc/54/20/18/325542018.db2.gz NQQNZZNJSWMXHJ-NWANDNLSSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000550882435 325542252 /nfs/dbraw/zinc/54/22/52/325542252.db2.gz NQQNZZNJSWMXHJ-QEJZJMRPSA-N 1 0 249.373 3.906 20 0 BHADRO CCOC1(C[NH2+][C@H](C)CCC2CC2)CCCC1 ZINC000550882474 325542144 /nfs/dbraw/zinc/54/21/44/325542144.db2.gz OLNYBBXSPKAGSR-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1(C[NH2+][C@@H](C)CCC2CC2)CCCC1 ZINC000550882476 325542009 /nfs/dbraw/zinc/54/20/09/325542009.db2.gz OLNYBBXSPKAGSR-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000550882653 388616507 /nfs/dbraw/zinc/61/65/07/388616507.db2.gz QMHNHAINZDSWNT-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000550882654 388616652 /nfs/dbraw/zinc/61/66/52/388616652.db2.gz QMHNHAINZDSWNT-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC1CC([NH2+]CCc2cc3ccccc3s2)C1 ZINC000550882999 325542127 /nfs/dbraw/zinc/54/21/27/325542127.db2.gz VSOCIPQMBHVJMU-UHFFFAOYSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)[C@@]1(C)CCCO1 ZINC000550887048 388616516 /nfs/dbraw/zinc/61/65/16/388616516.db2.gz LCGRXFNYWKBPPR-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)[C@]1(C)CCCO1 ZINC000550887049 325542180 /nfs/dbraw/zinc/54/21/80/325542180.db2.gz LCGRXFNYWKBPPR-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)[C@@]1(C)CCCO1 ZINC000550887050 325542201 /nfs/dbraw/zinc/54/22/01/325542201.db2.gz LCGRXFNYWKBPPR-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)[C@]1(C)CCCO1 ZINC000550887051 325542123 /nfs/dbraw/zinc/54/21/23/325542123.db2.gz LCGRXFNYWKBPPR-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO CC1=CC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000550887995 325542193 /nfs/dbraw/zinc/54/21/93/325542193.db2.gz WLFOTHGHTGLKHE-HNNXBMFYSA-N 1 0 249.785 3.971 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000550887996 325542200 /nfs/dbraw/zinc/54/22/00/325542200.db2.gz WLFOTHGHTGLKHE-OAHLLOKOSA-N 1 0 249.785 3.971 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC=C(C)CC2)ccc1F ZINC000550890438 325542642 /nfs/dbraw/zinc/54/26/42/325542642.db2.gz ILAFLVWTGIOVIZ-AWEZNQCLSA-N 1 0 233.330 3.723 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC=C(C)CC2)ccc1F ZINC000550890444 325542668 /nfs/dbraw/zinc/54/26/68/325542668.db2.gz ILAFLVWTGIOVIZ-CQSZACIVSA-N 1 0 233.330 3.723 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1F ZINC000550890516 388616712 /nfs/dbraw/zinc/61/67/12/388616712.db2.gz IITPFZBVCPHGES-AWEZNQCLSA-N 1 0 233.330 3.723 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1F ZINC000550890517 388616679 /nfs/dbraw/zinc/61/66/79/388616679.db2.gz IITPFZBVCPHGES-CQSZACIVSA-N 1 0 233.330 3.723 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCC1 ZINC000550894468 388616439 /nfs/dbraw/zinc/61/64/39/388616439.db2.gz GTNJTLPJKPXWFO-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000550894470 388616160 /nfs/dbraw/zinc/61/61/60/388616160.db2.gz FYNINGSHWNCDIK-XGHPGWEVSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCC1 ZINC000550894477 325542640 /nfs/dbraw/zinc/54/26/40/325542640.db2.gz GTNJTLPJKPXWFO-RCBQFDQVSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550894638 388616574 /nfs/dbraw/zinc/61/65/74/388616574.db2.gz IQZJGQXTSWHUJD-OEAJRASXSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550894639 388616603 /nfs/dbraw/zinc/61/66/03/388616603.db2.gz IQZJGQXTSWHUJD-QCEMKRCNSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550894640 388616741 /nfs/dbraw/zinc/61/67/41/388616741.db2.gz IQZJGQXTSWHUJD-SYAUCNOPSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550894641 388616744 /nfs/dbraw/zinc/61/67/44/388616744.db2.gz IQZJGQXTSWHUJD-TUUVXOQKSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550895419 388616576 /nfs/dbraw/zinc/61/65/76/388616576.db2.gz RWKPBCSXECGBPV-LUKYLMHMSA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550895420 325542661 /nfs/dbraw/zinc/54/26/61/325542661.db2.gz RWKPBCSXECGBPV-QAETUUGQSA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550895421 325542741 /nfs/dbraw/zinc/54/27/41/325542741.db2.gz RWKPBCSXECGBPV-VVLHAWIVSA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550895422 388616120 /nfs/dbraw/zinc/61/61/20/388616120.db2.gz RWKPBCSXECGBPV-YVSFHVDLSA-N 1 0 243.394 3.814 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000550901453 325542972 /nfs/dbraw/zinc/54/29/72/325542972.db2.gz IALUMVJEYTXFCI-AWEZNQCLSA-N 1 0 247.382 3.795 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000550901454 325542924 /nfs/dbraw/zinc/54/29/24/325542924.db2.gz IALUMVJEYTXFCI-CQSZACIVSA-N 1 0 247.382 3.795 20 0 BHADRO CCC[N@@H+](Cc1cc(C)c(O)c(C)c1)CC1CC1 ZINC000550915831 388617122 /nfs/dbraw/zinc/61/71/22/388617122.db2.gz GHPFUMANUQMUPZ-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CC1=CC[C@H](Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000550921272 325543426 /nfs/dbraw/zinc/54/34/26/325543426.db2.gz PAQFWASPGYXVJC-HNNXBMFYSA-N 1 0 244.382 3.659 20 0 BHADRO CC1=CC[C@@H](Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000550921284 388616887 /nfs/dbraw/zinc/61/68/87/388616887.db2.gz PAQFWASPGYXVJC-OAHLLOKOSA-N 1 0 244.382 3.659 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2CCC[C@@H]2F)C1 ZINC000550927729 325543401 /nfs/dbraw/zinc/54/34/01/325543401.db2.gz DXSOFIQSRPBDCK-FPCDFSMTSA-N 1 0 247.357 3.721 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCC[C@H]1F ZINC000550928745 388617318 /nfs/dbraw/zinc/61/73/18/388617318.db2.gz RFIBBVQJYOCKFK-OAGGEKHMSA-N 1 0 249.373 3.796 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCC[C@H]1F ZINC000550928748 325543645 /nfs/dbraw/zinc/54/36/45/325543645.db2.gz RFIBBVQJYOCKFK-XHSDSOJGSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000550929120 325543367 /nfs/dbraw/zinc/54/33/67/325543367.db2.gz WEFVJWJLDDOSRX-BMFZPTHFSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000550929121 325543575 /nfs/dbraw/zinc/54/35/75/325543575.db2.gz WEFVJWJLDDOSRX-IMJJTQAJSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H](C)C2 ZINC000550930121 325543480 /nfs/dbraw/zinc/54/34/80/325543480.db2.gz DDZAOIZFBXUHFO-CAPXZKIUSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H](C)C2 ZINC000550930122 325543363 /nfs/dbraw/zinc/54/33/63/325543363.db2.gz DDZAOIZFBXUHFO-DANNLKNASA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H](C)C2 ZINC000550930123 325543577 /nfs/dbraw/zinc/54/35/77/325543577.db2.gz DDZAOIZFBXUHFO-KSYCFECVSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H](C)C2 ZINC000550930124 388616957 /nfs/dbraw/zinc/61/69/57/388616957.db2.gz DDZAOIZFBXUHFO-MSQAHXEGSA-N 1 0 247.357 3.709 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000550930387 388617562 /nfs/dbraw/zinc/61/75/62/388617562.db2.gz GHLFQBVWXHQIBX-ARFHVFGLSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000550930388 388617705 /nfs/dbraw/zinc/61/77/05/388617705.db2.gz GHLFQBVWXHQIBX-HRCADAONSA-N 1 0 247.357 3.934 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000550930767 325542906 /nfs/dbraw/zinc/54/29/06/325542906.db2.gz IWMDFUDZFDNKBV-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000550930768 388617189 /nfs/dbraw/zinc/61/71/89/388617189.db2.gz IWMDFUDZFDNKBV-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cc2ccccc2o1 ZINC000550931647 388617611 /nfs/dbraw/zinc/61/76/11/388617611.db2.gz SDUGQFJIBJHQKW-RTXFEEFZSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cc2ccccc2o1 ZINC000550931660 325543925 /nfs/dbraw/zinc/54/39/25/325543925.db2.gz SDUGQFJIBJHQKW-UHTWSYAYSA-N 1 0 247.313 3.974 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)CCC2 ZINC000550932959 388617166 /nfs/dbraw/zinc/61/71/66/388617166.db2.gz YPXRPNULFRATLW-HRCADAONSA-N 1 0 247.357 3.853 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933296 388617228 /nfs/dbraw/zinc/61/72/28/388617228.db2.gz IOPXAKWXRWBKRA-AQNFWKISSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933297 388617128 /nfs/dbraw/zinc/61/71/28/388617128.db2.gz IOPXAKWXRWBKRA-BSLXNSKLSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933298 325544003 /nfs/dbraw/zinc/54/40/03/325544003.db2.gz IOPXAKWXRWBKRA-HPEDKQMDSA-N 1 0 233.330 3.715 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000550934112 388617250 /nfs/dbraw/zinc/61/72/50/388617250.db2.gz VVLFZEPGFOEXCL-CHWSQXEVSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000550934113 388617207 /nfs/dbraw/zinc/61/72/07/388617207.db2.gz VVLFZEPGFOEXCL-OLZOCXBDSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000550934114 325544058 /nfs/dbraw/zinc/54/40/58/325544058.db2.gz VVLFZEPGFOEXCL-QWHCGFSZSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000550934115 388616972 /nfs/dbraw/zinc/61/69/72/388616972.db2.gz VVLFZEPGFOEXCL-STQMWFEESA-N 1 0 243.341 3.900 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000550934165 388616884 /nfs/dbraw/zinc/61/68/84/388616884.db2.gz XBSBWXXNSYQHPO-ILXRZTDVSA-N 1 0 233.330 3.618 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000550934166 388616872 /nfs/dbraw/zinc/61/68/72/388616872.db2.gz XBSBWXXNSYQHPO-QLFBSQMISA-N 1 0 233.330 3.618 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC(C)C)no1 ZINC000550937257 388618112 /nfs/dbraw/zinc/61/81/12/388618112.db2.gz FEFFAVXHZLHJKG-GFCCVEGCSA-N 1 0 238.375 3.706 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC(C)C)no1 ZINC000550937258 388618154 /nfs/dbraw/zinc/61/81/54/388618154.db2.gz FEFFAVXHZLHJKG-LBPRGKRZSA-N 1 0 238.375 3.706 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000550937815 325543970 /nfs/dbraw/zinc/54/39/70/325543970.db2.gz NDCVZYYAOQOBDE-CHWSQXEVSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000550937819 388618300 /nfs/dbraw/zinc/61/83/00/388618300.db2.gz NDCVZYYAOQOBDE-OLZOCXBDSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000550937820 388617020 /nfs/dbraw/zinc/61/70/20/388617020.db2.gz NDCVZYYAOQOBDE-QWHCGFSZSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000550937821 325542985 /nfs/dbraw/zinc/54/29/85/325542985.db2.gz NDCVZYYAOQOBDE-STQMWFEESA-N 1 0 237.391 3.667 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000550939915 325543828 /nfs/dbraw/zinc/54/38/28/325543828.db2.gz GLPHDOFYSNGGGT-CHWSQXEVSA-N 1 0 245.370 3.564 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000550939916 388618245 /nfs/dbraw/zinc/61/82/45/388618245.db2.gz GLPHDOFYSNGGGT-OLZOCXBDSA-N 1 0 245.370 3.564 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000550939917 388618294 /nfs/dbraw/zinc/61/82/94/388618294.db2.gz GLPHDOFYSNGGGT-QWHCGFSZSA-N 1 0 245.370 3.564 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000550939918 388618238 /nfs/dbraw/zinc/61/82/38/388618238.db2.gz GLPHDOFYSNGGGT-STQMWFEESA-N 1 0 245.370 3.564 20 0 BHADRO CCCCOCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000550964055 398147755 /nfs/dbraw/zinc/14/77/55/398147755.db2.gz ZMVDUPONKVLNET-HNNXBMFYSA-N 1 0 249.398 3.805 20 0 BHADRO CCCCOCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000550964056 398147493 /nfs/dbraw/zinc/14/74/93/398147493.db2.gz ZMVDUPONKVLNET-OAHLLOKOSA-N 1 0 249.398 3.805 20 0 BHADRO C[N@@H+]1CCCC[C@@H]1CCSc1ccccc1 ZINC000550990338 388618636 /nfs/dbraw/zinc/61/86/36/388618636.db2.gz QHYHSBDGHGGOFL-CYBMUJFWSA-N 1 0 235.396 3.653 20 0 BHADRO C[N@@H+]1CCCC[C@H]1CCSc1ccccc1 ZINC000550990339 388618845 /nfs/dbraw/zinc/61/88/45/388618845.db2.gz QHYHSBDGHGGOFL-ZDUSSCGKSA-N 1 0 235.396 3.653 20 0 BHADRO CC(C)[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000551030205 388620648 /nfs/dbraw/zinc/62/06/48/388620648.db2.gz HSUSUIQCDPUVOL-UHFFFAOYSA-N 1 0 246.379 3.650 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000551060770 388621111 /nfs/dbraw/zinc/62/11/11/388621111.db2.gz XLSLQMOHLIVWPU-AGIUHOORSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000551060971 388621338 /nfs/dbraw/zinc/62/13/38/388621338.db2.gz XLSLQMOHLIVWPU-FRRDWIJNSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000551060972 388621039 /nfs/dbraw/zinc/62/10/39/388621039.db2.gz XLSLQMOHLIVWPU-JHJVBQTASA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000551060974 388621662 /nfs/dbraw/zinc/62/16/62/388621662.db2.gz XLSLQMOHLIVWPU-UPJWGTAASA-N 1 0 245.357 3.932 20 0 BHADRO Clc1ccccc1C[C@H]([NH2+]C1CCC1)C1CC1 ZINC000551087019 388621169 /nfs/dbraw/zinc/62/11/69/388621169.db2.gz KFCXELFUOOEBOY-HNNXBMFYSA-N 1 0 249.785 3.803 20 0 BHADRO Clc1ccccc1C[C@@H]([NH2+]C1CCC1)C1CC1 ZINC000551087020 388621335 /nfs/dbraw/zinc/62/13/35/388621335.db2.gz KFCXELFUOOEBOY-OAHLLOKOSA-N 1 0 249.785 3.803 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]CC1(C)CCC1)C(C)C ZINC000551092488 325548056 /nfs/dbraw/zinc/54/80/56/325548056.db2.gz HIVXCVMULPRDIH-AWEZNQCLSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]CC1(C)CCC1)C(C)C ZINC000551092489 325548119 /nfs/dbraw/zinc/54/81/19/325548119.db2.gz HIVXCVMULPRDIH-CQSZACIVSA-N 1 0 246.398 3.867 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000551094724 388621035 /nfs/dbraw/zinc/62/10/35/388621035.db2.gz FDXXIEGYZJAGGM-AVGNSLFASA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000551094725 388621475 /nfs/dbraw/zinc/62/14/75/388621475.db2.gz FDXXIEGYZJAGGM-RWMBFGLXSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000551094726 388621482 /nfs/dbraw/zinc/62/14/82/388621482.db2.gz FDXXIEGYZJAGGM-XQQFMLRXSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3CCC[C@H]32)C1 ZINC000551094727 388620968 /nfs/dbraw/zinc/62/09/68/388620968.db2.gz FDXXIEGYZJAGGM-YNEHKIRRSA-N 1 0 243.341 3.686 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551210033 325550036 /nfs/dbraw/zinc/55/00/36/325550036.db2.gz ROJHZXIGMHKFPH-UXIGCNINSA-N 1 0 235.346 3.850 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551210034 325550049 /nfs/dbraw/zinc/55/00/49/325550049.db2.gz ROJHZXIGMHKFPH-WHOFXGATSA-N 1 0 235.346 3.850 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cccnc2)CC1 ZINC000551211775 325550567 /nfs/dbraw/zinc/55/05/67/325550567.db2.gz MXULJLMTMHINGN-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000551211776 388623719 /nfs/dbraw/zinc/62/37/19/388623719.db2.gz MXULJLMTMHINGN-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccncc2)CC1 ZINC000551221190 325550624 /nfs/dbraw/zinc/55/06/24/325550624.db2.gz CHOQPFUQIBRFQK-UMVBOHGHSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000551221191 388623721 /nfs/dbraw/zinc/62/37/21/388623721.db2.gz CHOQPFUQIBRFQK-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551221632 388623625 /nfs/dbraw/zinc/62/36/25/388623625.db2.gz DQQDIROICMNVTI-BPLDGKMQSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551221633 388623332 /nfs/dbraw/zinc/62/33/32/388623332.db2.gz DQQDIROICMNVTI-QEJZJMRPSA-N 1 0 247.357 3.850 20 0 BHADRO CC1CC([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000551227023 325550945 /nfs/dbraw/zinc/55/09/45/325550945.db2.gz LGXXKTNOWMBBAJ-MOQPWLNLSA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000551227026 325550942 /nfs/dbraw/zinc/55/09/42/325550942.db2.gz LGXXKTNOWMBBAJ-VDSRIPIWSA-N 1 0 229.367 3.568 20 0 BHADRO CCC1CC([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000551228282 388623796 /nfs/dbraw/zinc/62/37/96/388623796.db2.gz DIEKSGAFUBJAKA-IMRCBTMISA-N 1 0 243.394 3.958 20 0 BHADRO CCC1CC([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000551228283 388623779 /nfs/dbraw/zinc/62/37/79/388623779.db2.gz DIEKSGAFUBJAKA-QWFMPGPPSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@H]1C ZINC000551228703 388624042 /nfs/dbraw/zinc/62/40/42/388624042.db2.gz LPGNKMDDAKBGIQ-GFOFROLCSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@@H]1C ZINC000551228704 388623419 /nfs/dbraw/zinc/62/34/19/388623419.db2.gz LPGNKMDDAKBGIQ-KFZJALRRSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)[C@@H]1C ZINC000551228705 325550894 /nfs/dbraw/zinc/55/08/94/325550894.db2.gz LPGNKMDDAKBGIQ-OMNBBPDLSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)[C@H]1C ZINC000551228706 388623482 /nfs/dbraw/zinc/62/34/82/388623482.db2.gz LPGNKMDDAKBGIQ-OQUILHJVSA-N 1 0 243.394 3.814 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000551239081 388623883 /nfs/dbraw/zinc/62/38/83/388623883.db2.gz KABQIFWEKZQBKN-UHFFFAOYSA-N 1 0 239.309 3.686 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000551240655 388623928 /nfs/dbraw/zinc/62/39/28/388623928.db2.gz ACHXBOYFTDGPNP-GJVDQKBNSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000551240660 388624028 /nfs/dbraw/zinc/62/40/28/388624028.db2.gz ACHXBOYFTDGPNP-WLGNDBIMSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@H]1C ZINC000551240661 388623723 /nfs/dbraw/zinc/62/37/23/388623723.db2.gz ACHXBOYFTDGPNP-XLTGGDBASA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@H]1C ZINC000551240662 388623412 /nfs/dbraw/zinc/62/34/12/388623412.db2.gz ACHXBOYFTDGPNP-ZAZJUGBXSA-N 1 0 243.394 3.814 20 0 BHADRO CCCC(CCC)[NH2+]CCC1(COC)CCC1 ZINC000551241850 325551202 /nfs/dbraw/zinc/55/12/02/325551202.db2.gz OPLAYTOXNLRLHM-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)(C)C1CC([NH2+]C2Cc3ccccc3C2)C1 ZINC000551241960 388624449 /nfs/dbraw/zinc/62/44/49/388624449.db2.gz QUSDAVOUGXJOBY-UHFFFAOYSA-N 1 0 243.394 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CCC1 ZINC000551242149 388624998 /nfs/dbraw/zinc/62/49/98/388624998.db2.gz SEMKYJDLPSCRKJ-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CCC1 ZINC000551242150 325551408 /nfs/dbraw/zinc/55/14/08/325551408.db2.gz SEMKYJDLPSCRKJ-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO CCCC[C@@H](COC)[NH2+]C1CC(C(C)(C)C)C1 ZINC000551242689 388624439 /nfs/dbraw/zinc/62/44/39/388624439.db2.gz WIOHWUSIXQLNRT-MOKVOYLWSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](COC)[NH2+]C1CC(C(C)(C)C)C1 ZINC000551242690 388624402 /nfs/dbraw/zinc/62/44/02/388624402.db2.gz WIOHWUSIXQLNRT-ROKHWSDSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC1CC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000551243215 388625103 /nfs/dbraw/zinc/62/51/03/388625103.db2.gz CSSFZTLHTSVDHS-KMZOKZLKSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000551259829 388624482 /nfs/dbraw/zinc/62/44/82/388624482.db2.gz SICXUIVFZZFEER-DOMZBBRYSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000551259830 388624994 /nfs/dbraw/zinc/62/49/94/388624994.db2.gz SICXUIVFZZFEER-IUODEOHRSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000551259831 388624550 /nfs/dbraw/zinc/62/45/50/388624550.db2.gz SICXUIVFZZFEER-SWLSCSKDSA-N 1 0 235.346 3.784 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000551259832 325551675 /nfs/dbraw/zinc/55/16/75/325551675.db2.gz SICXUIVFZZFEER-WFASDCNBSA-N 1 0 235.346 3.784 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000551260443 325551851 /nfs/dbraw/zinc/55/18/51/325551851.db2.gz WXYDEUAEDVGBRS-BPUTZDHNSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000551260444 325551590 /nfs/dbraw/zinc/55/15/90/325551590.db2.gz WXYDEUAEDVGBRS-CWRNSKLLSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000551260445 325551749 /nfs/dbraw/zinc/55/17/49/325551749.db2.gz WXYDEUAEDVGBRS-IMJJTQAJSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000551260446 388624910 /nfs/dbraw/zinc/62/49/10/388624910.db2.gz WXYDEUAEDVGBRS-NUEKZKHPSA-N 1 0 249.373 3.736 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000551262680 325551856 /nfs/dbraw/zinc/55/18/56/325551856.db2.gz GGUPIZQOOTWSCE-CYBMUJFWSA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000551262681 388624390 /nfs/dbraw/zinc/62/43/90/388624390.db2.gz GGUPIZQOOTWSCE-ZDUSSCGKSA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000551263084 388624789 /nfs/dbraw/zinc/62/47/89/388624789.db2.gz MDHXCDUTIVPIRN-CYBMUJFWSA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000551263086 325551846 /nfs/dbraw/zinc/55/18/46/325551846.db2.gz MDHXCDUTIVPIRN-ZDUSSCGKSA-N 1 0 249.373 3.925 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)F)[C@H](C)C2 ZINC000551263107 325551593 /nfs/dbraw/zinc/55/15/93/325551593.db2.gz MLULVQZUFZRCLK-LALPHHSUSA-N 1 0 235.346 3.566 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)F)[C@@H](C)C2 ZINC000551263111 325551782 /nfs/dbraw/zinc/55/17/82/325551782.db2.gz MLULVQZUFZRCLK-SLEUVZQESA-N 1 0 235.346 3.566 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)F)[C@H](C)C2 ZINC000551263112 325551648 /nfs/dbraw/zinc/55/16/48/325551648.db2.gz MLULVQZUFZRCLK-TYNCELHUSA-N 1 0 235.346 3.566 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)F)[C@@H](C)C2 ZINC000551263113 325551784 /nfs/dbraw/zinc/55/17/84/325551784.db2.gz MLULVQZUFZRCLK-YWPYICTPSA-N 1 0 235.346 3.566 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000551263590 388625052 /nfs/dbraw/zinc/62/50/52/388625052.db2.gz BGLLBTUWEJZECI-CYBMUJFWSA-N 1 0 246.398 3.592 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000551263591 388624673 /nfs/dbraw/zinc/62/46/73/388624673.db2.gz BGLLBTUWEJZECI-ZDUSSCGKSA-N 1 0 246.398 3.592 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000551264591 325552029 /nfs/dbraw/zinc/55/20/29/325552029.db2.gz AOSHCVUBVQDMPE-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000551264592 388624620 /nfs/dbraw/zinc/62/46/20/388624620.db2.gz AOSHCVUBVQDMPE-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000551264593 325552213 /nfs/dbraw/zinc/55/22/13/325552213.db2.gz AOSHCVUBVQDMPE-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000551264594 388624504 /nfs/dbraw/zinc/62/45/04/388624504.db2.gz AOSHCVUBVQDMPE-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CC1=CC[C@H]([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000551264625 325552062 /nfs/dbraw/zinc/55/20/62/325552062.db2.gz BFZJHXXTRKBSOB-HNNXBMFYSA-N 1 0 249.785 3.971 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000551264626 388624834 /nfs/dbraw/zinc/62/48/34/388624834.db2.gz BFZJHXXTRKBSOB-OAHLLOKOSA-N 1 0 249.785 3.971 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000551265347 388624517 /nfs/dbraw/zinc/62/45/17/388624517.db2.gz TYCYSPZOIIIGQB-CFVMTHIKSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000551265348 325552102 /nfs/dbraw/zinc/55/21/02/325552102.db2.gz TYCYSPZOIIIGQB-NWANDNLSSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000551265350 325552208 /nfs/dbraw/zinc/55/22/08/325552208.db2.gz TYCYSPZOIIIGQB-QEJZJMRPSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000551265455 388624656 /nfs/dbraw/zinc/62/46/56/388624656.db2.gz VQLDVQKOSQLACP-CYBMUJFWSA-N 1 0 249.373 3.925 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000551265456 325552164 /nfs/dbraw/zinc/55/21/64/325552164.db2.gz VQLDVQKOSQLACP-ZDUSSCGKSA-N 1 0 249.373 3.925 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000551268166 325552211 /nfs/dbraw/zinc/55/22/11/325552211.db2.gz PVNMJVORHPXTGC-DZGCQCFKSA-N 1 0 247.357 3.845 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000551268167 325552192 /nfs/dbraw/zinc/55/21/92/325552192.db2.gz PVNMJVORHPXTGC-HIFRSBDPSA-N 1 0 247.357 3.845 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000551268168 388624849 /nfs/dbraw/zinc/62/48/49/388624849.db2.gz PVNMJVORHPXTGC-UKRRQHHQSA-N 1 0 247.357 3.845 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000551268169 388624755 /nfs/dbraw/zinc/62/47/55/388624755.db2.gz PVNMJVORHPXTGC-ZFWWWQNUSA-N 1 0 247.357 3.845 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000551271481 325552206 /nfs/dbraw/zinc/55/22/06/325552206.db2.gz LSTAMKDDZBLQEM-CYBMUJFWSA-N 1 0 237.293 3.553 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000551271505 388624206 /nfs/dbraw/zinc/62/42/06/388624206.db2.gz LSTAMKDDZBLQEM-ZDUSSCGKSA-N 1 0 237.293 3.553 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551273456 388624541 /nfs/dbraw/zinc/62/45/41/388624541.db2.gz ZKBYMJFWKOZZKG-XHSDSOJGSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000551273750 325552581 /nfs/dbraw/zinc/55/25/81/325552581.db2.gz ACEBFEDSHXFHIE-QEJZJMRPSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000551273751 388624324 /nfs/dbraw/zinc/62/43/24/388624324.db2.gz ACEBFEDSHXFHIE-SNPRPXQTSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551274268 325552670 /nfs/dbraw/zinc/55/26/70/325552670.db2.gz DKWGPTKDBOCVCM-BSWAZPDLSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551274269 325552723 /nfs/dbraw/zinc/55/27/23/325552723.db2.gz DKWGPTKDBOCVCM-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551274270 388624603 /nfs/dbraw/zinc/62/46/03/388624603.db2.gz DKWGPTKDBOCVCM-QSPRXWTASA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000551275101 325552666 /nfs/dbraw/zinc/55/26/66/325552666.db2.gz PESZOBARECSRPN-JYJNAYRXSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000551275104 388625971 /nfs/dbraw/zinc/62/59/71/388625971.db2.gz PESZOBARECSRPN-XHSDSOJGSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CCC(C)(C)C2CC2)c1 ZINC000551297030 325552996 /nfs/dbraw/zinc/55/29/96/325552996.db2.gz RLOWIFLRVPQCDK-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CCC(C)(C)C2CC2)c1 ZINC000551297031 388625674 /nfs/dbraw/zinc/62/56/74/388625674.db2.gz RLOWIFLRVPQCDK-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000551302698 388625667 /nfs/dbraw/zinc/62/56/67/388625667.db2.gz XBSBWXXNSYQHPO-RRFJBIMHSA-N 1 0 233.330 3.618 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000551302699 388625683 /nfs/dbraw/zinc/62/56/83/388625683.db2.gz XBSBWXXNSYQHPO-ZNMIVQPWSA-N 1 0 233.330 3.618 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000551304287 388625284 /nfs/dbraw/zinc/62/52/84/388625284.db2.gz FZQHCFUAWIEORC-BFHYXJOUSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000551304288 388625954 /nfs/dbraw/zinc/62/59/54/388625954.db2.gz FZQHCFUAWIEORC-MCIONIFRSA-N 1 0 239.309 3.757 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000551306333 388626023 /nfs/dbraw/zinc/62/60/23/388626023.db2.gz KPPFYEUPTGRSSD-RRFJBIMHSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000551306334 388625488 /nfs/dbraw/zinc/62/54/88/388625488.db2.gz KPPFYEUPTGRSSD-SOUVJXGZSA-N 1 0 233.330 3.544 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000551307217 388625347 /nfs/dbraw/zinc/62/53/47/388625347.db2.gz AVNOGOVPJWMMAV-DYLAAIIWSA-N 1 0 243.272 3.506 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000551307290 325553438 /nfs/dbraw/zinc/55/34/38/325553438.db2.gz CFBBZBXPFIINEL-CAOSSQGBSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000551307291 388625865 /nfs/dbraw/zinc/62/58/65/388625865.db2.gz CFBBZBXPFIINEL-FPCVCCKLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000551307292 325553323 /nfs/dbraw/zinc/55/33/23/325553323.db2.gz CFBBZBXPFIINEL-FXUDXRNXSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000551307293 388625648 /nfs/dbraw/zinc/62/56/48/388625648.db2.gz CFBBZBXPFIINEL-FZKCQIBNSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000551307294 388625250 /nfs/dbraw/zinc/62/52/50/388625250.db2.gz CFBBZBXPFIINEL-JJXSEGSLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000551307295 384451420 /nfs/dbraw/zinc/45/14/20/384451420.db2.gz CFBBZBXPFIINEL-QKPAOTATSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000551307296 322825953 /nfs/dbraw/zinc/82/59/53/322825953.db2.gz CFBBZBXPFIINEL-WCVJEAGWSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000551307297 384449563 /nfs/dbraw/zinc/44/95/63/384449563.db2.gz CFBBZBXPFIINEL-YHUYYLMFSA-N 1 0 247.357 3.803 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCCC2(C)C)c1 ZINC000551307553 388625638 /nfs/dbraw/zinc/62/56/38/388625638.db2.gz FQYKXMANUFHZSJ-KBPBESRZSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCCC2(C)C)c1 ZINC000551307554 388625280 /nfs/dbraw/zinc/62/52/80/388625280.db2.gz FQYKXMANUFHZSJ-KGLIPLIRSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCCC2(C)C)c1 ZINC000551307555 388625395 /nfs/dbraw/zinc/62/53/95/388625395.db2.gz FQYKXMANUFHZSJ-UONOGXRCSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCCC2(C)C)c1 ZINC000551307556 388625831 /nfs/dbraw/zinc/62/58/31/388625831.db2.gz FQYKXMANUFHZSJ-ZIAGYGMSSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000551307571 388625501 /nfs/dbraw/zinc/62/55/01/388625501.db2.gz RNEFIOOTPUQAQZ-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000551307572 325553289 /nfs/dbraw/zinc/55/32/89/325553289.db2.gz RNEFIOOTPUQAQZ-VHDGCEQUSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1C ZINC000551307606 388625245 /nfs/dbraw/zinc/62/52/45/388625245.db2.gz TZAGFIQVIZJWNG-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1C ZINC000551307607 388625580 /nfs/dbraw/zinc/62/55/80/388625580.db2.gz TZAGFIQVIZJWNG-YUELXQCFSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC2(C)C)c1 ZINC000551307897 325553440 /nfs/dbraw/zinc/55/34/40/325553440.db2.gz FRTGCHQCJHEGKI-DZGCQCFKSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCCC2(C)C)c1 ZINC000551307898 388625757 /nfs/dbraw/zinc/62/57/57/388625757.db2.gz FRTGCHQCJHEGKI-HIFRSBDPSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCCC2(C)C)c1 ZINC000551307899 325554013 /nfs/dbraw/zinc/55/40/13/325554013.db2.gz FRTGCHQCJHEGKI-UKRRQHHQSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC2(C)C)c1 ZINC000551307900 388625567 /nfs/dbraw/zinc/62/55/67/388625567.db2.gz FRTGCHQCJHEGKI-ZFWWWQNUSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2CCC[C@H]2F)C2CC2)cc1 ZINC000551307939 325553862 /nfs/dbraw/zinc/55/38/62/325553862.db2.gz GRCQYIDQFBJLKZ-OWCLPIDISA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]2F)C2CC2)cc1 ZINC000551307940 388625302 /nfs/dbraw/zinc/62/53/02/388625302.db2.gz GRCQYIDQFBJLKZ-PMPSAXMXSA-N 1 0 247.357 3.926 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000551308792 388625784 /nfs/dbraw/zinc/62/57/84/388625784.db2.gz MZVPBYLDUJXDLR-KFWWJZLASA-N 1 0 235.346 3.926 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000551308851 388625917 /nfs/dbraw/zinc/62/59/17/388625917.db2.gz NXNMHYULVKQPRT-GDBMZVCRSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000551308854 388625289 /nfs/dbraw/zinc/62/52/89/388625289.db2.gz NXNMHYULVKQPRT-GOEBONIOSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000551308856 388625402 /nfs/dbraw/zinc/62/54/02/388625402.db2.gz NXNMHYULVKQPRT-HOCLYGCPSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000551308857 388625555 /nfs/dbraw/zinc/62/55/55/388625555.db2.gz NXNMHYULVKQPRT-ZBFHGGJFSA-N 1 0 245.341 3.901 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H](C)c1ccccc1 ZINC000551308864 325553874 /nfs/dbraw/zinc/55/38/74/325553874.db2.gz OFCDWFXVBNBZRZ-GBOPCIDUSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H](C)c1ccccc1 ZINC000551308866 388625338 /nfs/dbraw/zinc/62/53/38/388625338.db2.gz OFCDWFXVBNBZRZ-MXYBEHONSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H](C)c1ccccc1 ZINC000551308868 388625642 /nfs/dbraw/zinc/62/56/42/388625642.db2.gz OFCDWFXVBNBZRZ-OSRDXIQISA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000551308869 388625651 /nfs/dbraw/zinc/62/56/51/388625651.db2.gz OFCDWFXVBNBZRZ-VIRABCJISA-N 1 0 235.346 3.659 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000551309277 388625539 /nfs/dbraw/zinc/62/55/39/388625539.db2.gz QJPQHANOFVCECL-BMFZPTHFSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000551309278 388625497 /nfs/dbraw/zinc/62/54/97/388625497.db2.gz QJPQHANOFVCECL-IMJJTQAJSA-N 1 0 249.373 3.796 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000551309324 325554024 /nfs/dbraw/zinc/55/40/24/325554024.db2.gz SAOIWZWXTBBCFT-BFHYXJOUSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000551309325 388625533 /nfs/dbraw/zinc/62/55/33/388625533.db2.gz SAOIWZWXTBBCFT-MJBXVCDLSA-N 1 0 239.378 3.970 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000551309824 388625982 /nfs/dbraw/zinc/62/59/82/388625982.db2.gz XMQLTPYDKFMCMD-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000551309825 388626035 /nfs/dbraw/zinc/62/60/35/388626035.db2.gz XMQLTPYDKFMCMD-YUELXQCFSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000551310176 325553901 /nfs/dbraw/zinc/55/39/01/325553901.db2.gz VXXZCOQVPOLGKO-AFHWFKKNSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000551310177 325553672 /nfs/dbraw/zinc/55/36/72/325553672.db2.gz VXXZCOQVPOLGKO-HSZNGYFJSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@H]1c1ccccc1 ZINC000551310178 388627174 /nfs/dbraw/zinc/62/71/74/388627174.db2.gz VXXZCOQVPOLGKO-PJGLDBICSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000551310179 388626672 /nfs/dbraw/zinc/62/66/72/388626672.db2.gz VXXZCOQVPOLGKO-WGIXJMRHSA-N 1 0 247.357 3.659 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000551310222 388626753 /nfs/dbraw/zinc/62/67/53/388626753.db2.gz XMQLTPYDKFMCMD-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000551310223 325553699 /nfs/dbraw/zinc/55/36/99/325553699.db2.gz XMQLTPYDKFMCMD-VHDGCEQUSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCCC1)c1cn[nH]c1 ZINC000551313574 325554402 /nfs/dbraw/zinc/55/44/02/325554402.db2.gz OPZCBXWWPFXIDS-GFCCVEGCSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCCC1)c1cn[nH]c1 ZINC000551313575 388627190 /nfs/dbraw/zinc/62/71/90/388627190.db2.gz OPZCBXWWPFXIDS-LBPRGKRZSA-N 1 0 249.402 3.667 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)CC1 ZINC000551316522 325554458 /nfs/dbraw/zinc/55/44/58/325554458.db2.gz IKDXESKBOSYFIH-CABCVRRESA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)CC1 ZINC000551316523 388626637 /nfs/dbraw/zinc/62/66/37/388626637.db2.gz IKDXESKBOSYFIH-GJZGRUSLSA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2)CC1 ZINC000551316524 325554451 /nfs/dbraw/zinc/55/44/51/325554451.db2.gz IKDXESKBOSYFIH-HUUCEWRRSA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H](C)Oc2ccccc2)CC1 ZINC000551316525 388627149 /nfs/dbraw/zinc/62/71/49/388627149.db2.gz IKDXESKBOSYFIH-LSDHHAIUSA-N 1 0 245.366 3.542 20 0 BHADRO C[N@H+](CCC1CCCCCC1)Cc1ccncc1 ZINC000551328786 388626441 /nfs/dbraw/zinc/62/64/41/388626441.db2.gz SQMAFHLYYWEDBL-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO C[N@H+](CCC1CCCCCC1)Cc1cccnc1 ZINC000551328898 388626177 /nfs/dbraw/zinc/62/61/77/388626177.db2.gz VGTZSRFTDWCAIB-UHFFFAOYSA-N 1 0 246.398 3.874 20 0 BHADRO CCCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000551369186 388628351 /nfs/dbraw/zinc/62/83/51/388628351.db2.gz VOIUEBUDXYIKEZ-INIZCTEOSA-N 1 0 247.382 3.805 20 0 BHADRO CCCC[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000551369187 388627728 /nfs/dbraw/zinc/62/77/28/388627728.db2.gz VOIUEBUDXYIKEZ-MRXNPFEDSA-N 1 0 247.382 3.805 20 0 BHADRO CCC(CC)C[N@H+](CC)CCCCCF ZINC000551382358 388628290 /nfs/dbraw/zinc/62/82/90/388628290.db2.gz VKUGWPRHWUMNRZ-UHFFFAOYSA-N 1 0 217.372 3.884 20 0 BHADRO Cc1cccc(C[N@H+](C)CCCCCF)c1 ZINC000551382435 388627881 /nfs/dbraw/zinc/62/78/81/388627881.db2.gz ZOZFDOBNLKAVQQ-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO C[N@H+](CCCCCF)Cc1ccc(Cl)cc1 ZINC000551382632 388627719 /nfs/dbraw/zinc/62/77/19/388627719.db2.gz LVOGGOUVBCDYBW-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO C[N@H+](CCCCCF)[C@H]1CCc2ccccc21 ZINC000551382751 388628142 /nfs/dbraw/zinc/62/81/42/388628142.db2.gz SDADEOASGPDZFN-HNNXBMFYSA-N 1 0 235.346 3.746 20 0 BHADRO C[N@H+](CCCCCF)[C@@H]1CCc2ccccc21 ZINC000551382752 388627543 /nfs/dbraw/zinc/62/75/43/388627543.db2.gz SDADEOASGPDZFN-OAHLLOKOSA-N 1 0 235.346 3.746 20 0 BHADRO CCC1(CC)CC[N@H+](CCCCCF)C1 ZINC000551385994 388627556 /nfs/dbraw/zinc/62/75/56/388627556.db2.gz WYENALZVEIWMOD-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO FCCCCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000551386234 325556408 /nfs/dbraw/zinc/55/64/08/325556408.db2.gz XHEQPJKFAUPNJW-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CCCCCF)C1 ZINC000551386729 388627874 /nfs/dbraw/zinc/62/78/74/388627874.db2.gz AMCWPLCHDMFJSF-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CCCCCF)C1 ZINC000551386730 388627577 /nfs/dbraw/zinc/62/75/77/388627577.db2.gz AMCWPLCHDMFJSF-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCCCCF ZINC000551386731 388628273 /nfs/dbraw/zinc/62/82/73/388628273.db2.gz AMCWPLCHDMFJSF-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CCCCCF)C1 ZINC000551386732 388628258 /nfs/dbraw/zinc/62/82/58/388628258.db2.gz AMCWPLCHDMFJSF-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCCCCF ZINC000551386741 388628358 /nfs/dbraw/zinc/62/83/58/388628358.db2.gz AUKHEJLUKBRRFW-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000551386742 388626413 /nfs/dbraw/zinc/62/64/13/388626413.db2.gz AUKHEJLUKBRRFW-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO CC1(C)CCC[N@H+](CCCCCF)CC1 ZINC000551387218 388628339 /nfs/dbraw/zinc/62/83/39/388628339.db2.gz YVLSGCKKTXIHJL-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO CCC1(CC)C[N@H+](CCCCCF)CCS1 ZINC000551392024 388627949 /nfs/dbraw/zinc/62/79/49/388627949.db2.gz XGNWDCYWWHQTSG-UHFFFAOYSA-N 1 0 247.423 3.734 20 0 BHADRO FCCCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000551393321 325556251 /nfs/dbraw/zinc/55/62/51/325556251.db2.gz GIAHVVSFEQQRBN-INIZCTEOSA-N 1 0 249.373 3.737 20 0 BHADRO FCCCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000551393322 325556343 /nfs/dbraw/zinc/55/63/43/325556343.db2.gz GIAHVVSFEQQRBN-MRXNPFEDSA-N 1 0 249.373 3.737 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](CCCCCF)C2)c1 ZINC000551395162 388628704 /nfs/dbraw/zinc/62/87/04/388628704.db2.gz QCHNHYZCCBVOKP-INIZCTEOSA-N 1 0 249.373 3.924 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](CCCCCF)C2)c1 ZINC000551395164 388628988 /nfs/dbraw/zinc/62/89/88/388628988.db2.gz QCHNHYZCCBVOKP-MRXNPFEDSA-N 1 0 249.373 3.924 20 0 BHADRO CCOc1ccc(C[N@H+](CC)C2CCCC2)cc1 ZINC000551405773 388628717 /nfs/dbraw/zinc/62/87/17/388628717.db2.gz BPUXCYVGSZVKIU-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC(C)CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406391 388629425 /nfs/dbraw/zinc/62/94/25/388629425.db2.gz GKPNUIVMUSEWPI-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406678 388628650 /nfs/dbraw/zinc/62/86/50/388628650.db2.gz KPQMIWLJGVKUSG-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406679 325556804 /nfs/dbraw/zinc/55/68/04/325556804.db2.gz KPQMIWLJGVKUSG-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000551441378 388629779 /nfs/dbraw/zinc/62/97/79/388629779.db2.gz FNXXUIDFHUBBTO-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000551441379 388630303 /nfs/dbraw/zinc/63/03/03/388630303.db2.gz FNXXUIDFHUBBTO-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](C)CCCCCF ZINC000551443354 388630491 /nfs/dbraw/zinc/63/04/91/388630491.db2.gz TTYHOBWPCUCHDC-UHFFFAOYSA-N 1 0 241.325 3.706 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000551448186 388630122 /nfs/dbraw/zinc/63/01/22/388630122.db2.gz MEWUVVJBOFZNIC-CYBMUJFWSA-N 1 0 229.383 3.884 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000551448187 388630584 /nfs/dbraw/zinc/63/05/84/388630584.db2.gz MEWUVVJBOFZNIC-ZDUSSCGKSA-N 1 0 229.383 3.884 20 0 BHADRO CCCCCSCC[C@H]1CCCC[N@@H+]1C ZINC000551461171 388630395 /nfs/dbraw/zinc/63/03/95/388630395.db2.gz HWLUBHZQBMGHLD-CYBMUJFWSA-N 1 0 229.433 3.784 20 0 BHADRO CCCCCSCC[C@@H]1CCCC[N@@H+]1C ZINC000551461172 388630260 /nfs/dbraw/zinc/63/02/60/388630260.db2.gz HWLUBHZQBMGHLD-ZDUSSCGKSA-N 1 0 229.433 3.784 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000551462396 384452708 /nfs/dbraw/zinc/45/27/08/384452708.db2.gz ACULBBIDAKRJDQ-HNNXBMFYSA-N 1 0 249.423 3.747 20 0 BHADRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000551462397 384453606 /nfs/dbraw/zinc/45/36/06/384453606.db2.gz ACULBBIDAKRJDQ-OAHLLOKOSA-N 1 0 249.423 3.747 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000551516646 388632654 /nfs/dbraw/zinc/63/26/54/388632654.db2.gz WDMWRZYMTUPNAF-HUBLWGQQSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000551516647 388632931 /nfs/dbraw/zinc/63/29/31/388632931.db2.gz WDMWRZYMTUPNAF-LALPHHSUSA-N 1 0 247.357 3.850 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000551517055 325559214 /nfs/dbraw/zinc/55/92/14/325559214.db2.gz CCFGWYLXICBTIZ-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000551517056 388632558 /nfs/dbraw/zinc/63/25/58/388632558.db2.gz CCFGWYLXICBTIZ-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO CCC1CC([NH2+]CCCc2ccccc2F)C1 ZINC000551518009 325558733 /nfs/dbraw/zinc/55/87/33/325558733.db2.gz WLXVRTTWAUBPDN-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO CSc1ccc(CC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000551519287 388632282 /nfs/dbraw/zinc/63/22/82/388632282.db2.gz CYRWBCHYQLQVIR-AWEZNQCLSA-N 1 0 249.423 3.729 20 0 BHADRO CSc1ccc(CC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000551519298 388632209 /nfs/dbraw/zinc/63/22/09/388632209.db2.gz CYRWBCHYQLQVIR-CQSZACIVSA-N 1 0 249.423 3.729 20 0 BHADRO CCC1CC([NH2+]Cc2cccc(CSC)c2)C1 ZINC000551519862 388632440 /nfs/dbraw/zinc/63/24/40/388632440.db2.gz HTLGMWXZUJWAJJ-UHFFFAOYSA-N 1 0 249.423 3.828 20 0 BHADRO CCC1CC([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000551521067 325559611 /nfs/dbraw/zinc/55/96/11/325559611.db2.gz WWTZUHHHYGBPIN-UHFFFAOYSA-N 1 0 243.394 3.958 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000551521476 388631237 /nfs/dbraw/zinc/63/12/37/388631237.db2.gz FVGHQOZXMFMARW-HNNXBMFYSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000551521477 325558668 /nfs/dbraw/zinc/55/86/68/325558668.db2.gz FVGHQOZXMFMARW-OAHLLOKOSA-N 1 0 246.398 3.787 20 0 BHADRO CCC1CC([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000551521933 388632433 /nfs/dbraw/zinc/63/24/33/388632433.db2.gz SXVQXIVEBWJSNV-UHFFFAOYSA-N 1 0 229.367 3.540 20 0 BHADRO CCC1CC([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000551525251 388632498 /nfs/dbraw/zinc/63/24/98/388632498.db2.gz DBNRWYHQUWQQSE-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CCC1CC([NH2+]CCc2cc3ccccc3o2)C1 ZINC000551525793 388632465 /nfs/dbraw/zinc/63/24/65/388632465.db2.gz QJYZSVLEIOYYNF-UHFFFAOYSA-N 1 0 243.350 3.754 20 0 BHADRO CCC1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000551528237 325559576 /nfs/dbraw/zinc/55/95/76/325559576.db2.gz HHTJVLWRLVEBAV-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CCC1CC([NH2+][C@H]2COc3c2ccc(C)c3C)C1 ZINC000551529037 325559463 /nfs/dbraw/zinc/55/94/63/325559463.db2.gz ABEMIZIOCBXTJU-PIMMBPRGSA-N 1 0 245.366 3.515 20 0 BHADRO CCC1CC([NH2+][C@@H]2COc3c2ccc(C)c3C)C1 ZINC000551529038 388632525 /nfs/dbraw/zinc/63/25/25/388632525.db2.gz ABEMIZIOCBXTJU-SSDMNJCBSA-N 1 0 245.366 3.515 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC1(C)C ZINC000551530013 388632463 /nfs/dbraw/zinc/63/24/63/388632463.db2.gz LYTBCCXJNNZXAH-DOMZBBRYSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC1(C)C ZINC000551530014 388632323 /nfs/dbraw/zinc/63/23/23/388632323.db2.gz LYTBCCXJNNZXAH-IUODEOHRSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC1(C)C ZINC000551530015 325559937 /nfs/dbraw/zinc/55/99/37/325559937.db2.gz LYTBCCXJNNZXAH-SWLSCSKDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC1(C)C ZINC000551530016 325559943 /nfs/dbraw/zinc/55/99/43/325559943.db2.gz LYTBCCXJNNZXAH-WFASDCNBSA-N 1 0 249.373 3.925 20 0 BHADRO CCC1CC([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000551530030 388632477 /nfs/dbraw/zinc/63/24/77/388632477.db2.gz MIABCUYOVYEAHA-DCBWTQNWSA-N 1 0 235.346 3.535 20 0 BHADRO CCC1CC([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000551530031 325560057 /nfs/dbraw/zinc/56/00/57/325560057.db2.gz MIABCUYOVYEAHA-LKSINWNRSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000551530050 388632881 /nfs/dbraw/zinc/63/28/81/388632881.db2.gz MNTOGTXDEHJPGB-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@H]2CCC2(C)C)c1 ZINC000551530051 325559788 /nfs/dbraw/zinc/55/97/88/325559788.db2.gz MNTOGTXDEHJPGB-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000551530052 325560018 /nfs/dbraw/zinc/56/00/18/325560018.db2.gz MNTOGTXDEHJPGB-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(O[C@@H](C)C[NH2+][C@H]2CCC2(C)C)c1 ZINC000551530053 388632644 /nfs/dbraw/zinc/63/26/44/388632644.db2.gz MNTOGTXDEHJPGB-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CC1(C)CC1)C1CC1 ZINC000551530183 388632624 /nfs/dbraw/zinc/63/26/24/388632624.db2.gz OYFUZIVJDVTUCF-INIZCTEOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CC1(C)CC1)C1CC1 ZINC000551530185 388632699 /nfs/dbraw/zinc/63/26/99/388632699.db2.gz OYFUZIVJDVTUCF-MRXNPFEDSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000551530321 388632771 /nfs/dbraw/zinc/63/27/71/388632771.db2.gz QPNUNCMYBFPIBP-DZGCQCFKSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H]2CCC2(C)C)c1 ZINC000551530322 388632453 /nfs/dbraw/zinc/63/24/53/388632453.db2.gz QPNUNCMYBFPIBP-HIFRSBDPSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000551530323 388632287 /nfs/dbraw/zinc/63/22/87/388632287.db2.gz QPNUNCMYBFPIBP-UKRRQHHQSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H]2CCC2(C)C)c1 ZINC000551530324 388632394 /nfs/dbraw/zinc/63/23/94/388632394.db2.gz QPNUNCMYBFPIBP-ZFWWWQNUSA-N 1 0 231.383 3.877 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)Sc1ccccc1 ZINC000551532352 388632858 /nfs/dbraw/zinc/63/28/58/388632858.db2.gz BZJYGPUIBJYDDJ-GXTWGEPZSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)Sc1ccccc1 ZINC000551532353 325559799 /nfs/dbraw/zinc/55/97/99/325559799.db2.gz BZJYGPUIBJYDDJ-JSGCOSHPSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)Sc1ccccc1 ZINC000551532354 388632495 /nfs/dbraw/zinc/63/24/95/388632495.db2.gz BZJYGPUIBJYDDJ-OCCSQVGLSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)Sc1ccccc1 ZINC000551532355 325559794 /nfs/dbraw/zinc/55/97/94/325559794.db2.gz BZJYGPUIBJYDDJ-TZMCWYRMSA-N 1 0 249.423 3.945 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC1(C)C ZINC000551532392 388632862 /nfs/dbraw/zinc/63/28/62/388632862.db2.gz BAOSVGZDSXCJLE-CABCVRRESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC1(C)C ZINC000551532393 388632640 /nfs/dbraw/zinc/63/26/40/388632640.db2.gz BAOSVGZDSXCJLE-GJZGRUSLSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC1(C)C ZINC000551532394 388632842 /nfs/dbraw/zinc/63/28/42/388632842.db2.gz BAOSVGZDSXCJLE-HUUCEWRRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC1(C)C ZINC000551532395 388632878 /nfs/dbraw/zinc/63/28/78/388632878.db2.gz BAOSVGZDSXCJLE-LSDHHAIUSA-N 1 0 229.367 3.761 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)Oc2ccccc2C)C1 ZINC000551532442 325559835 /nfs/dbraw/zinc/55/98/35/325559835.db2.gz CSGZYVYLAVEPLV-NFOMZHRRSA-N 1 0 247.382 3.541 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)Oc2ccccc2C)C1 ZINC000551532443 388632696 /nfs/dbraw/zinc/63/26/96/388632696.db2.gz CSGZYVYLAVEPLV-WLYUNCDWSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)Oc1ccccc1 ZINC000551532699 325559877 /nfs/dbraw/zinc/55/98/77/325559877.db2.gz DTJNYQNFUIHAAL-AWEZNQCLSA-N 1 0 247.382 3.622 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)Oc1ccccc1 ZINC000551532700 325559880 /nfs/dbraw/zinc/55/98/80/325559880.db2.gz DTJNYQNFUIHAAL-CQSZACIVSA-N 1 0 247.382 3.622 20 0 BHADRO CCC1CC([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000551532875 325560102 /nfs/dbraw/zinc/56/01/02/325560102.db2.gz HXXNTLPOXFSJRF-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1CC([NH2+]CCCOc2ccc(C)cc2)C1 ZINC000551532896 388632777 /nfs/dbraw/zinc/63/27/77/388632777.db2.gz IFTAFPJCBOMCRX-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(SCC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000551533067 325559806 /nfs/dbraw/zinc/55/98/06/325559806.db2.gz AICTVVVQTUQTSQ-AWEZNQCLSA-N 1 0 249.423 3.865 20 0 BHADRO Cc1ccc(SCC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000551533068 388632468 /nfs/dbraw/zinc/63/24/68/388632468.db2.gz AICTVVVQTUQTSQ-CQSZACIVSA-N 1 0 249.423 3.865 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000551533163 388632608 /nfs/dbraw/zinc/63/26/08/388632608.db2.gz KSZGOXZGPVLXHH-BZUNDVKYSA-N 1 0 235.346 3.707 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000551533164 388632239 /nfs/dbraw/zinc/63/22/39/388632239.db2.gz KSZGOXZGPVLXHH-XIKARTHZSA-N 1 0 235.346 3.707 20 0 BHADRO CCC1CC([NH2+][C@H](C)CCc2ccc(C)o2)C1 ZINC000551534155 325560107 /nfs/dbraw/zinc/56/01/07/325560107.db2.gz QRMFWGNDFJBNKD-LMWSTFAQSA-N 1 0 235.371 3.687 20 0 BHADRO CCC1CC([NH2+][C@@H](C)CCc2ccc(C)o2)C1 ZINC000551534156 388632334 /nfs/dbraw/zinc/63/23/34/388632334.db2.gz QRMFWGNDFJBNKD-XGNXJENSSA-N 1 0 235.371 3.687 20 0 BHADRO CCC1CC(Nc2cc(C)cc(C[NH+](C)C)c2)C1 ZINC000551534500 325559955 /nfs/dbraw/zinc/55/99/55/325559955.db2.gz VXVDNANOPLFMAZ-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO CCC1CC([NH2+]CC(C)(C)c2ccc(F)cc2)C1 ZINC000551535473 388632690 /nfs/dbraw/zinc/63/26/90/388632690.db2.gz XEOKBZBVLXNWBY-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000551535525 388632571 /nfs/dbraw/zinc/63/25/71/388632571.db2.gz YOECECJIMDGNQN-LDZOIKDWSA-N 1 0 229.367 3.761 20 0 BHADRO CCC1CC([NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000551535526 325560428 /nfs/dbraw/zinc/56/04/28/325560428.db2.gz YOECECJIMDGNQN-PXCJXSSVSA-N 1 0 229.367 3.761 20 0 BHADRO CCC1CC([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000551536530 325560426 /nfs/dbraw/zinc/56/04/26/325560426.db2.gz GHMSQBRMZXULFD-HLIUYOAVSA-N 1 0 231.383 3.786 20 0 BHADRO CCC1CC([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000551536533 325560292 /nfs/dbraw/zinc/56/02/92/325560292.db2.gz GHMSQBRMZXULFD-VQCLRJIVSA-N 1 0 231.383 3.786 20 0 BHADRO CCC1CC([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000551541632 388633584 /nfs/dbraw/zinc/63/35/84/388633584.db2.gz QARATIPYDHZDGQ-UHFFFAOYSA-N 1 0 247.357 3.636 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCC(C)(C)C)o1 ZINC000551543393 388633412 /nfs/dbraw/zinc/63/34/12/388633412.db2.gz VXRHEPZAVLWTKQ-GFCCVEGCSA-N 1 0 237.387 3.935 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCC(C)(C)C)o1 ZINC000551543394 388633495 /nfs/dbraw/zinc/63/34/95/388633495.db2.gz VXRHEPZAVLWTKQ-LBPRGKRZSA-N 1 0 237.387 3.935 20 0 BHADRO CC(C)C(C[N@H+](C)Cc1cscn1)C(C)C ZINC000551551670 388633728 /nfs/dbraw/zinc/63/37/28/388633728.db2.gz DRVWFBCISMWLFH-UHFFFAOYSA-N 1 0 240.416 3.503 20 0 BHADRO CCC1([NH2+][C@H](C)CCC(C)(C)C)CCOCC1 ZINC000551556216 388633480 /nfs/dbraw/zinc/63/34/80/388633480.db2.gz INCHAEOAATYFGH-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1([NH2+][C@@H](C)CCC(C)(C)C)CCOCC1 ZINC000551556217 388633474 /nfs/dbraw/zinc/63/34/74/388633474.db2.gz INCHAEOAATYFGH-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)C(C[N@H+](C)CCC(F)(F)F)C(C)C ZINC000551557629 388633772 /nfs/dbraw/zinc/63/37/72/388633772.db2.gz GBYZAKSFMNCJKX-UHFFFAOYSA-N 1 0 239.325 3.799 20 0 BHADRO Cc1cccc(C[N@@H+](C)CC(C(C)C)C(C)C)n1 ZINC000551558408 388633377 /nfs/dbraw/zinc/63/33/77/388633377.db2.gz OWMRJPAWVWTJAT-UHFFFAOYSA-N 1 0 248.414 3.750 20 0 BHADRO CC[N@@H+](Cc1ccccn1)CC(C(C)C)C(C)C ZINC000551559561 388633349 /nfs/dbraw/zinc/63/33/49/388633349.db2.gz SZPMPBQWECKOBE-UHFFFAOYSA-N 1 0 248.414 3.832 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)o1)C1CCCC1 ZINC000551585675 388634285 /nfs/dbraw/zinc/63/42/85/388634285.db2.gz DLRVYDOWPOXGFA-UHFFFAOYSA-N 1 0 227.735 3.698 20 0 BHADRO CC[N@H+](Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000551585702 388634596 /nfs/dbraw/zinc/63/45/96/388634596.db2.gz DSBCQEKFUIKBGF-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(C)cc1C ZINC000551683223 388636276 /nfs/dbraw/zinc/63/62/76/388636276.db2.gz PNJFVPHPMXLELP-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO CC(C)CC[N@H+](CCCCCF)C1CC1 ZINC000551691962 388637006 /nfs/dbraw/zinc/63/70/06/388637006.db2.gz DYHCWYNXFQHGEW-UHFFFAOYSA-N 1 0 215.356 3.637 20 0 BHADRO C[N@H+](CCCCCF)CCCc1ccccc1 ZINC000551692263 388636354 /nfs/dbraw/zinc/63/63/54/388636354.db2.gz JPVJNMLZJZRQCD-UHFFFAOYSA-N 1 0 237.362 3.691 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCCCF)C1 ZINC000551694306 388637027 /nfs/dbraw/zinc/63/70/27/388637027.db2.gz SOJRUMVPIVZZLE-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCCCCF)C1 ZINC000551694307 388636770 /nfs/dbraw/zinc/63/67/70/388636770.db2.gz SOJRUMVPIVZZLE-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCCCCF)C1 ZINC000551694308 388637135 /nfs/dbraw/zinc/63/71/35/388637135.db2.gz SOJRUMVPIVZZLE-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCCCCF)C1 ZINC000551694309 388636699 /nfs/dbraw/zinc/63/66/99/388636699.db2.gz SOJRUMVPIVZZLE-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1CCCCCF ZINC000551696412 388636237 /nfs/dbraw/zinc/63/62/37/388636237.db2.gz AONDXPHVEBMIAD-LLVKDONJSA-N 1 0 241.375 3.807 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1CCCCCF ZINC000551696413 388636206 /nfs/dbraw/zinc/63/62/06/388636206.db2.gz AONDXPHVEBMIAD-NSHDSACASA-N 1 0 241.375 3.807 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)CCCCCF ZINC000551696418 388636954 /nfs/dbraw/zinc/63/69/54/388636954.db2.gz AQVUMLYUQKKOCK-GFCCVEGCSA-N 1 0 241.325 3.958 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)CCCCCF ZINC000551696419 388636751 /nfs/dbraw/zinc/63/67/51/388636751.db2.gz AQVUMLYUQKKOCK-LBPRGKRZSA-N 1 0 241.325 3.958 20 0 BHADRO C[N@H+](CCCCCF)Cc1cccc(Cl)c1 ZINC000551696468 388636718 /nfs/dbraw/zinc/63/67/18/388636718.db2.gz DZSBJHQIRQTZEU-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO Cc1ccsc1C[N@H+](C)CCC(C)(C)C ZINC000551696768 388636527 /nfs/dbraw/zinc/63/65/27/388636527.db2.gz KDEKBTXVNBBDCS-UHFFFAOYSA-N 1 0 225.401 3.925 20 0 BHADRO C[N@H+](CCCCCF)Cc1ccccc1Cl ZINC000551696956 388637125 /nfs/dbraw/zinc/63/71/25/388637125.db2.gz NJNVUNQYIBCSEQ-UHFFFAOYSA-N 1 0 243.753 3.912 20 0 BHADRO CC(C)(C)C1CC[NH+](CCCCCF)CC1 ZINC000551698791 325565205 /nfs/dbraw/zinc/56/52/05/325565205.db2.gz DMALSINBMLUOJG-UHFFFAOYSA-N 1 0 229.383 3.884 20 0 BHADRO CC[N@H+](CCCCCF)CCc1cccs1 ZINC000551698795 388637080 /nfs/dbraw/zinc/63/70/80/388637080.db2.gz DOPLUCICWUWTOP-UHFFFAOYSA-N 1 0 243.391 3.752 20 0 BHADRO CCC(CC)[N@H+](CCCCCF)C1CC1 ZINC000551699150 388636846 /nfs/dbraw/zinc/63/68/46/388636846.db2.gz NBPCDZZISATQOP-UHFFFAOYSA-N 1 0 215.356 3.779 20 0 BHADRO C[C@@H]1c2ccccc2CC[N@H+]1CCCCCF ZINC000551699223 388636725 /nfs/dbraw/zinc/63/67/25/388636725.db2.gz SPAHTCBJOCXMDG-CYBMUJFWSA-N 1 0 235.346 3.746 20 0 BHADRO C[C@H]1c2ccccc2CC[N@H+]1CCCCCF ZINC000551699224 388637044 /nfs/dbraw/zinc/63/70/44/388637044.db2.gz SPAHTCBJOCXMDG-ZDUSSCGKSA-N 1 0 235.346 3.746 20 0 BHADRO FCCCCC[NH+]1CCC2(CCCC2)CC1 ZINC000551700178 388638095 /nfs/dbraw/zinc/63/80/95/388638095.db2.gz ZIOKDNJTYJDECG-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO CCC[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000551703608 388638249 /nfs/dbraw/zinc/63/82/49/388638249.db2.gz DQBSJFPHBRVFDX-CYBMUJFWSA-N 1 0 215.356 3.638 20 0 BHADRO CCC[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000551703609 388637403 /nfs/dbraw/zinc/63/74/03/388637403.db2.gz DQBSJFPHBRVFDX-ZDUSSCGKSA-N 1 0 215.356 3.638 20 0 BHADRO CC(C)=CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551711247 325565093 /nfs/dbraw/zinc/56/50/93/325565093.db2.gz OJSYATGQGYDWLS-UHFFFAOYSA-N 1 0 235.293 3.617 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551711434 388637557 /nfs/dbraw/zinc/63/75/57/388637557.db2.gz XGIOXCZCBIELSR-CYBMUJFWSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551711435 388637890 /nfs/dbraw/zinc/63/78/90/388637890.db2.gz XGIOXCZCBIELSR-ZDUSSCGKSA-N 1 0 215.340 3.574 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)CCCCCF)c1 ZINC000551734138 388637496 /nfs/dbraw/zinc/63/74/96/388637496.db2.gz PXYWKOLYIMCQIZ-UHFFFAOYSA-N 1 0 237.362 3.875 20 0 BHADRO C[N@H+](CCCCCF)CC1(c2ccccc2)CC1 ZINC000551735735 388638238 /nfs/dbraw/zinc/63/82/38/388638238.db2.gz PYOPIWRUPJIUMK-UHFFFAOYSA-N 1 0 249.373 3.790 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCSC(C)(C)CC1 ZINC000551738914 388637774 /nfs/dbraw/zinc/63/77/74/388637774.db2.gz NZKSZARCRDHTMH-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CCC1CC([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000551778057 325568674 /nfs/dbraw/zinc/56/86/74/325568674.db2.gz ZUMWOPDTWDYOHB-KIMDCOTQSA-N 1 0 229.367 3.711 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000551781117 325569181 /nfs/dbraw/zinc/56/91/81/325569181.db2.gz VOFVHLXNPXHCNW-CYBMUJFWSA-N 1 0 243.435 3.732 20 0 BHADRO CCC(O)(CC)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000551781118 325569234 /nfs/dbraw/zinc/56/92/34/325569234.db2.gz VOFVHLXNPXHCNW-ZDUSSCGKSA-N 1 0 243.435 3.732 20 0 BHADRO CCO[C@H](C[NH2+]C1CC(CC)C1)c1ccccc1 ZINC000551782968 325569164 /nfs/dbraw/zinc/56/91/64/325569164.db2.gz ZMIVKFJCDBJSEC-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+]C1CC(CC)C1)c1ccccc1 ZINC000551782969 325568960 /nfs/dbraw/zinc/56/89/60/325568960.db2.gz ZMIVKFJCDBJSEC-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2CC(CC)C2)c1 ZINC000551787388 325569614 /nfs/dbraw/zinc/56/96/14/325569614.db2.gz FVKKYOOOCKNJRK-DNOWBOINSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2CC(CC)C2)c1 ZINC000551787389 325569605 /nfs/dbraw/zinc/56/96/05/325569605.db2.gz FVKKYOOOCKNJRK-OPFPJEHXSA-N 1 0 247.382 3.925 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000551788086 388641388 /nfs/dbraw/zinc/64/13/88/388641388.db2.gz UWASUPSWYGGTFA-DCBWTQNWSA-N 1 0 233.355 3.534 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000551788087 325569229 /nfs/dbraw/zinc/56/92/29/325569229.db2.gz UWASUPSWYGGTFA-LKSINWNRSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000551788284 388641216 /nfs/dbraw/zinc/64/12/16/388641216.db2.gz BRVMPIISAGAZFS-KBPBESRZSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000551788285 325569619 /nfs/dbraw/zinc/56/96/19/325569619.db2.gz BRVMPIISAGAZFS-KGLIPLIRSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CCC(C)(C)C ZINC000551788286 388641437 /nfs/dbraw/zinc/64/14/37/388641437.db2.gz BRVMPIISAGAZFS-UONOGXRCSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)Cc1ccncc1 ZINC000551788287 325569312 /nfs/dbraw/zinc/56/93/12/325569312.db2.gz BRVMPIISAGAZFS-ZIAGYGMSSA-N 1 0 248.414 3.817 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000551788517 388641422 /nfs/dbraw/zinc/64/14/22/388641422.db2.gz CRSHADXNZYIRGM-KBPBESRZSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000551788518 325569616 /nfs/dbraw/zinc/56/96/16/325569616.db2.gz CRSHADXNZYIRGM-KGLIPLIRSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000551788519 388641249 /nfs/dbraw/zinc/64/12/49/388641249.db2.gz CRSHADXNZYIRGM-UONOGXRCSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000551788520 325569596 /nfs/dbraw/zinc/56/95/96/325569596.db2.gz CRSHADXNZYIRGM-ZIAGYGMSSA-N 1 0 233.330 3.591 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)Oc2ccc(C)cc2)C1 ZINC000551788565 388641160 /nfs/dbraw/zinc/64/11/60/388641160.db2.gz HSKQIVWCOKRZAF-NFOMZHRRSA-N 1 0 247.382 3.541 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000551788566 388641430 /nfs/dbraw/zinc/64/14/30/388641430.db2.gz HSKQIVWCOKRZAF-WLYUNCDWSA-N 1 0 247.382 3.541 20 0 BHADRO CCC1CC([NH2+]CC(C)(C)c2cccc(F)c2)C1 ZINC000551788661 388641074 /nfs/dbraw/zinc/64/10/74/388641074.db2.gz DPHAKMBXUMQWPP-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000551788784 325569545 /nfs/dbraw/zinc/56/95/45/325569545.db2.gz HJOFPUQMCIVAKA-HNNXBMFYSA-N 1 0 243.394 3.930 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000551788786 325569512 /nfs/dbraw/zinc/56/95/12/325569512.db2.gz HJOFPUQMCIVAKA-OAHLLOKOSA-N 1 0 243.394 3.930 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000551789343 388641157 /nfs/dbraw/zinc/64/11/57/388641157.db2.gz MXTAMLIGUHQBLC-CVEARBPZSA-N 1 0 243.394 3.786 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000551789349 388641196 /nfs/dbraw/zinc/64/11/96/388641196.db2.gz MXTAMLIGUHQBLC-HOTGVXAUSA-N 1 0 243.394 3.786 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000551789350 388641364 /nfs/dbraw/zinc/64/13/64/388641364.db2.gz MXTAMLIGUHQBLC-HZPDHXFCSA-N 1 0 243.394 3.786 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000551789351 388641194 /nfs/dbraw/zinc/64/11/94/388641194.db2.gz MXTAMLIGUHQBLC-JKSUJKDBSA-N 1 0 243.394 3.786 20 0 BHADRO CCC1CC([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000551789357 388641532 /nfs/dbraw/zinc/64/15/32/388641532.db2.gz NCPBTWMMHYVWRH-ILGZHXLLSA-N 1 0 231.383 3.957 20 0 BHADRO CCC1CC([NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000551789371 325569622 /nfs/dbraw/zinc/56/96/22/325569622.db2.gz NCPBTWMMHYVWRH-NNNQGMHWSA-N 1 0 231.383 3.957 20 0 BHADRO CCC1CC([NH2+][C@H](C)[C@@H](C)c2ccccc2)C1 ZINC000551789372 325569419 /nfs/dbraw/zinc/56/94/19/325569419.db2.gz NCPBTWMMHYVWRH-NOZYUVCASA-N 1 0 231.383 3.957 20 0 BHADRO CCC1CC([NH2+][C@H](C)[C@H](C)c2ccccc2)C1 ZINC000551789373 388641367 /nfs/dbraw/zinc/64/13/67/388641367.db2.gz NCPBTWMMHYVWRH-RNDNHVFHSA-N 1 0 231.383 3.957 20 0 BHADRO CCc1cc(C[NH2+][C@H](C)CCC(C)(C)C)on1 ZINC000551789479 325569989 /nfs/dbraw/zinc/56/99/89/325569989.db2.gz OPAZHXPDZPPKBS-LLVKDONJSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1cc(C[NH2+][C@@H](C)CCC(C)(C)C)on1 ZINC000551789480 388641395 /nfs/dbraw/zinc/64/13/95/388641395.db2.gz OPAZHXPDZPPKBS-NSHDSACASA-N 1 0 238.375 3.541 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000551789676 322827188 /nfs/dbraw/zinc/82/71/88/322827188.db2.gz RFMSBTUAYNMDNL-ILXRZTDVSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000551789677 384488594 /nfs/dbraw/zinc/48/85/94/384488594.db2.gz RFMSBTUAYNMDNL-KFWWJZLASA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000551789686 322827511 /nfs/dbraw/zinc/82/75/11/322827511.db2.gz RFMSBTUAYNMDNL-ZNMIVQPWSA-N 1 0 229.367 3.568 20 0 BHADRO CCCOc1ccc(C[NH2+]C2CC(CC)C2)cc1 ZINC000551790481 388641176 /nfs/dbraw/zinc/64/11/76/388641176.db2.gz AJASNSXECJLFOT-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000551790553 325569889 /nfs/dbraw/zinc/56/98/89/325569889.db2.gz CDFIIHSUZPVRLN-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCCCOc1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000551790555 388641574 /nfs/dbraw/zinc/64/15/74/388641574.db2.gz CDFIIHSUZPVRLN-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO CCC1CC([NH2+]CCSc2ccc(C)cc2)C1 ZINC000551790585 388641103 /nfs/dbraw/zinc/64/11/03/388641103.db2.gz CVTLYPRIVRZQMY-UHFFFAOYSA-N 1 0 249.423 3.865 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+]C1CC(CC)C1 ZINC000551790856 388641409 /nfs/dbraw/zinc/64/14/09/388641409.db2.gz HNMZAKDYSGJEGW-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CCC1CC([NH2+]CCc2ccc(C)cc2C)C1 ZINC000551790868 388640956 /nfs/dbraw/zinc/64/09/56/388640956.db2.gz IJDHFWSQDVJLCQ-UHFFFAOYSA-N 1 0 231.383 3.624 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000551791431 388641028 /nfs/dbraw/zinc/64/10/28/388641028.db2.gz QYKBDHIPVQUAQG-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000551791432 325569731 /nfs/dbraw/zinc/56/97/31/325569731.db2.gz QYKBDHIPVQUAQG-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000551791754 325569728 /nfs/dbraw/zinc/56/97/28/325569728.db2.gz SEIOBMIRRLQHSO-AWEZNQCLSA-N 1 0 249.423 3.947 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000551791755 325569804 /nfs/dbraw/zinc/56/98/04/325569804.db2.gz SEIOBMIRRLQHSO-CQSZACIVSA-N 1 0 249.423 3.947 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000551793462 325569893 /nfs/dbraw/zinc/56/98/93/325569893.db2.gz YTBOBMVROKSADW-KRWDZBQOSA-N 1 0 243.394 3.848 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000551793475 325569853 /nfs/dbraw/zinc/56/98/53/325569853.db2.gz YTBOBMVROKSADW-QGZVFWFLSA-N 1 0 243.394 3.848 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000551795849 325569981 /nfs/dbraw/zinc/56/99/81/325569981.db2.gz SRZRWDSJFGSOAS-AWEZNQCLSA-N 1 0 247.357 3.636 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000551795851 325569985 /nfs/dbraw/zinc/56/99/85/325569985.db2.gz SRZRWDSJFGSOAS-CQSZACIVSA-N 1 0 247.357 3.636 20 0 BHADRO CCCC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000551796217 388641499 /nfs/dbraw/zinc/64/14/99/388641499.db2.gz XFFOSIIBLMHRKL-INIZCTEOSA-N 1 0 231.383 3.706 20 0 BHADRO CCCC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000551796218 388641058 /nfs/dbraw/zinc/64/10/58/388641058.db2.gz XFFOSIIBLMHRKL-MRXNPFEDSA-N 1 0 231.383 3.706 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000551796317 325569776 /nfs/dbraw/zinc/56/97/76/325569776.db2.gz XZWCIESQBJCAPN-AWEZNQCLSA-N 1 0 249.423 3.698 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000551796318 325569798 /nfs/dbraw/zinc/56/97/98/325569798.db2.gz XZWCIESQBJCAPN-CQSZACIVSA-N 1 0 249.423 3.698 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)Cc1ccncc1)C(C)C ZINC000551806606 388642664 /nfs/dbraw/zinc/64/26/64/388642664.db2.gz SYUCQVWVQOECLB-AWEZNQCLSA-N 1 0 248.414 3.530 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)Cc1ccncc1)C(C)C ZINC000551806607 325570615 /nfs/dbraw/zinc/57/06/15/325570615.db2.gz SYUCQVWVQOECLB-CQSZACIVSA-N 1 0 248.414 3.530 20 0 BHADRO Cc1ccncc1C[N@@H+](C)CC(C(C)C)C(C)C ZINC000551823431 388642391 /nfs/dbraw/zinc/64/23/91/388642391.db2.gz GJMDYBBZCYPQIO-UHFFFAOYSA-N 1 0 248.414 3.750 20 0 BHADRO CC[N@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000551824411 388642551 /nfs/dbraw/zinc/64/25/51/388642551.db2.gz FILWXBPMOVTQKY-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO CC[N@H+](Cc1sccc1C)C1CCCC1 ZINC000551826548 388642580 /nfs/dbraw/zinc/64/25/80/388642580.db2.gz NHAZSQUVUWUFNJ-UHFFFAOYSA-N 1 0 223.385 3.821 20 0 BHADRO CC1(C[NH+]2CCC(CC(F)(F)F)CC2)CCC1 ZINC000551826931 388642246 /nfs/dbraw/zinc/64/22/46/388642246.db2.gz OQZMXUMXIPMJOI-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000551897602 325573400 /nfs/dbraw/zinc/57/34/00/325573400.db2.gz ZSNXFWBUUSAJGT-CABCVRRESA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551897603 325573284 /nfs/dbraw/zinc/57/32/84/325573284.db2.gz ZSNXFWBUUSAJGT-GJZGRUSLSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000551897604 325573395 /nfs/dbraw/zinc/57/33/95/325573395.db2.gz ZSNXFWBUUSAJGT-HUUCEWRRSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000551897605 325573277 /nfs/dbraw/zinc/57/32/77/325573277.db2.gz ZSNXFWBUUSAJGT-LSDHHAIUSA-N 1 0 231.383 3.814 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](CC[C@H](C)F)C2)cc1 ZINC000551968078 388650472 /nfs/dbraw/zinc/65/04/72/388650472.db2.gz UUEYXEGVDOCNAN-DZGCQCFKSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](CC[C@@H](C)F)C2)cc1 ZINC000551968083 388650572 /nfs/dbraw/zinc/65/05/72/388650572.db2.gz UUEYXEGVDOCNAN-HIFRSBDPSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)cc1 ZINC000551968084 388650382 /nfs/dbraw/zinc/65/03/82/388650382.db2.gz UUEYXEGVDOCNAN-UKRRQHHQSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+](CC[C@H](C)F)C2)cc1 ZINC000551968085 388650484 /nfs/dbraw/zinc/65/04/84/388650484.db2.gz UUEYXEGVDOCNAN-ZFWWWQNUSA-N 1 0 235.346 3.532 20 0 BHADRO CC1=CC[C@H]([NH2+]CCSc2ccccc2)CC1 ZINC000551970680 388650479 /nfs/dbraw/zinc/65/04/79/388650479.db2.gz VQYGDDPFXNAKKH-AWEZNQCLSA-N 1 0 247.407 3.867 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCSc2ccccc2)CC1 ZINC000551970681 325577472 /nfs/dbraw/zinc/57/74/72/325577472.db2.gz VQYGDDPFXNAKKH-CQSZACIVSA-N 1 0 247.407 3.867 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC000551971684 325577745 /nfs/dbraw/zinc/57/77/45/325577745.db2.gz APLNFSLWTJQVCC-AWEZNQCLSA-N 1 0 207.361 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2CCCCC2)CC1 ZINC000551971685 388650073 /nfs/dbraw/zinc/65/00/73/388650073.db2.gz APLNFSLWTJQVCC-CQSZACIVSA-N 1 0 207.361 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000551977847 566462588 /nfs/dbraw/zinc/46/25/88/566462588.db2.gz WEZHRMNJOXQPJK-GXTWGEPZSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000551977848 411281419 /nfs/dbraw/zinc/28/14/19/411281419.db2.gz WEZHRMNJOXQPJK-JSGCOSHPSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000551977849 411281549 /nfs/dbraw/zinc/28/15/49/411281549.db2.gz WEZHRMNJOXQPJK-OCCSQVGLSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000551977850 411281445 /nfs/dbraw/zinc/28/14/45/411281445.db2.gz WEZHRMNJOXQPJK-TZMCWYRMSA-N 1 0 235.396 3.768 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000551983356 388651372 /nfs/dbraw/zinc/65/13/72/388651372.db2.gz CHVZGWFVOJDEIG-AWEZNQCLSA-N 1 0 237.293 3.553 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000551983357 325578507 /nfs/dbraw/zinc/57/85/07/325578507.db2.gz CHVZGWFVOJDEIG-CQSZACIVSA-N 1 0 237.293 3.553 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000551985475 388652870 /nfs/dbraw/zinc/65/28/70/388652870.db2.gz XEWDOIRMTDOHCQ-GFCCVEGCSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1ccsc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000551985476 388652425 /nfs/dbraw/zinc/65/24/25/388652425.db2.gz XEWDOIRMTDOHCQ-LBPRGKRZSA-N 1 0 221.369 3.645 20 0 BHADRO CCCOc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000551987213 388652962 /nfs/dbraw/zinc/65/29/62/388652962.db2.gz LXEBPZSRRURRRR-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000551996549 388654899 /nfs/dbraw/zinc/65/48/99/388654899.db2.gz IDCQFJTUDRRYBK-AWEZNQCLSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000551996550 388655471 /nfs/dbraw/zinc/65/54/71/388655471.db2.gz IDCQFJTUDRRYBK-CQSZACIVSA-N 1 0 240.350 3.609 20 0 BHADRO CCO[C@@H](CC[NH2+][C@@H]1CC=C(C)CC1)C(C)C ZINC000552003494 388656634 /nfs/dbraw/zinc/65/66/34/388656634.db2.gz GOQPXTUUCVXSHS-CABCVRRESA-N 1 0 239.403 3.526 20 0 BHADRO CCO[C@@H](CC[NH2+][C@H]1CC=C(C)CC1)C(C)C ZINC000552003495 325582580 /nfs/dbraw/zinc/58/25/80/325582580.db2.gz GOQPXTUUCVXSHS-GJZGRUSLSA-N 1 0 239.403 3.526 20 0 BHADRO CCO[C@H](CC[NH2+][C@@H]1CC=C(C)CC1)C(C)C ZINC000552003496 388656412 /nfs/dbraw/zinc/65/64/12/388656412.db2.gz GOQPXTUUCVXSHS-HUUCEWRRSA-N 1 0 239.403 3.526 20 0 BHADRO CCO[C@H](CC[NH2+][C@H]1CC=C(C)CC1)C(C)C ZINC000552003497 325582428 /nfs/dbraw/zinc/58/24/28/325582428.db2.gz GOQPXTUUCVXSHS-LSDHHAIUSA-N 1 0 239.403 3.526 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C2(C3CC3)CC2)cc1F ZINC000552013325 325585515 /nfs/dbraw/zinc/58/55/15/325585515.db2.gz MYGCSEPYSFHQBK-OWOJBTEDSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C2(C3CC3)CC2)cc1F ZINC000552013326 325585517 /nfs/dbraw/zinc/58/55/17/325585517.db2.gz MYGCSEPYSFHQBK-UPHRSURJSA-N 1 0 249.304 3.510 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2C3CCC2CC3)o1 ZINC000552015480 325585824 /nfs/dbraw/zinc/58/58/24/325585824.db2.gz WFFXNRJCHDWXKU-BBCYWQGDSA-N 1 0 231.339 3.530 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH+]2C3CCC2CC3)o1 ZINC000552015481 388658543 /nfs/dbraw/zinc/65/85/43/388658543.db2.gz WFFXNRJCHDWXKU-DLOFLVKXSA-N 1 0 231.339 3.530 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2C3CCC2CC3)o1 ZINC000552015482 325585884 /nfs/dbraw/zinc/58/58/84/325585884.db2.gz WFFXNRJCHDWXKU-MLCFOIATSA-N 1 0 231.339 3.530 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2C3CCC2CC3)o1 ZINC000552015483 388658492 /nfs/dbraw/zinc/65/84/92/388658492.db2.gz WFFXNRJCHDWXKU-NPZBDFSRSA-N 1 0 231.339 3.530 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000552021522 325587587 /nfs/dbraw/zinc/58/75/87/325587587.db2.gz VQFGUEIKINMOEL-HNNXBMFYSA-N 1 0 240.350 3.756 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000552021523 388660485 /nfs/dbraw/zinc/66/04/85/388660485.db2.gz VQFGUEIKINMOEL-OAHLLOKOSA-N 1 0 240.350 3.756 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000552023667 388661144 /nfs/dbraw/zinc/66/11/44/388661144.db2.gz WFFLAKXSQOTHMP-LLVKDONJSA-N 1 0 225.401 3.923 20 0 BHADRO Cc1sccc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000552023668 388661426 /nfs/dbraw/zinc/66/14/26/388661426.db2.gz WFFLAKXSQOTHMP-NSHDSACASA-N 1 0 225.401 3.923 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)CC1 ZINC000552029168 325589032 /nfs/dbraw/zinc/58/90/32/325589032.db2.gz MFYGEHMCUHWTCI-IHRRRGAJSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCC[C@H]2C)CC1 ZINC000552029169 325588710 /nfs/dbraw/zinc/58/87/10/325588710.db2.gz MFYGEHMCUHWTCI-MCIONIFRSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2C)CC1 ZINC000552029170 388662246 /nfs/dbraw/zinc/66/22/46/388662246.db2.gz MFYGEHMCUHWTCI-MJBXVCDLSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)CC1 ZINC000552029171 388662300 /nfs/dbraw/zinc/66/23/00/388662300.db2.gz MFYGEHMCUHWTCI-RDBSUJKOSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000552033834 325589653 /nfs/dbraw/zinc/58/96/53/325589653.db2.gz UQTBYRLGUXBHDI-CVEARBPZSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000552033835 388662195 /nfs/dbraw/zinc/66/21/95/388662195.db2.gz UQTBYRLGUXBHDI-HOTGVXAUSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000552033836 388661614 /nfs/dbraw/zinc/66/16/14/388661614.db2.gz UQTBYRLGUXBHDI-HZPDHXFCSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000552033837 388661715 /nfs/dbraw/zinc/66/17/15/388661715.db2.gz UQTBYRLGUXBHDI-JKSUJKDBSA-N 1 0 231.383 3.643 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)c(C)c1 ZINC000552038099 325590459 /nfs/dbraw/zinc/59/04/59/325590459.db2.gz OGEHAVZAKXYOPM-GDBMZVCRSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCF)c(C)c1 ZINC000552038100 325590437 /nfs/dbraw/zinc/59/04/37/325590437.db2.gz OGEHAVZAKXYOPM-GOEBONIOSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCF)c(C)c1 ZINC000552038101 325590490 /nfs/dbraw/zinc/59/04/90/325590490.db2.gz OGEHAVZAKXYOPM-HOCLYGCPSA-N 1 0 249.373 3.921 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCF)c(C)c1 ZINC000552038102 322865844 /nfs/dbraw/zinc/86/58/44/322865844.db2.gz OGEHAVZAKXYOPM-ZBFHGGJFSA-N 1 0 249.373 3.921 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000552040784 388662773 /nfs/dbraw/zinc/66/27/73/388662773.db2.gz YDQVJTWTSCAHAQ-CABCVRRESA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000552040785 388663087 /nfs/dbraw/zinc/66/30/87/388663087.db2.gz YDQVJTWTSCAHAQ-GJZGRUSLSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000552040786 325590417 /nfs/dbraw/zinc/59/04/17/325590417.db2.gz YDQVJTWTSCAHAQ-HUUCEWRRSA-N 1 0 243.350 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000552040787 325590766 /nfs/dbraw/zinc/59/07/66/325590766.db2.gz YDQVJTWTSCAHAQ-LSDHHAIUSA-N 1 0 243.350 3.957 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000552043393 388664411 /nfs/dbraw/zinc/66/44/11/388664411.db2.gz LARFJBNLXKHCRE-UHFFFAOYSA-N 1 0 245.288 3.724 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000552044239 388664176 /nfs/dbraw/zinc/66/41/76/388664176.db2.gz WRMSQEHEVDLQHA-HPRJGHKQSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000552044240 325591044 /nfs/dbraw/zinc/59/10/44/325591044.db2.gz WRMSQEHEVDLQHA-MYNUTGAYSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000552044241 388664164 /nfs/dbraw/zinc/66/41/64/388664164.db2.gz WRMSQEHEVDLQHA-OCLYVHKGSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000552044242 325591128 /nfs/dbraw/zinc/59/11/28/325591128.db2.gz WRMSQEHEVDLQHA-VKFONMJVSA-N 1 0 229.367 3.724 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552044269 325591143 /nfs/dbraw/zinc/59/11/43/325591143.db2.gz XOAHUUNVTTUOFJ-AEGPPILISA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552044270 325591141 /nfs/dbraw/zinc/59/11/41/325591141.db2.gz XOAHUUNVTTUOFJ-CFVMTHIKSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552044271 388663981 /nfs/dbraw/zinc/66/39/81/388663981.db2.gz XOAHUUNVTTUOFJ-NWANDNLSSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552044272 388664133 /nfs/dbraw/zinc/66/41/33/388664133.db2.gz XOAHUUNVTTUOFJ-QEJZJMRPSA-N 1 0 249.402 3.549 20 0 BHADRO Cc1cc(Cl)cc(C[N@@H+]2CCC2(C)C)c1 ZINC000552050337 388663653 /nfs/dbraw/zinc/66/36/53/388663653.db2.gz XUGNFMUMYKQNDU-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000552054324 388665436 /nfs/dbraw/zinc/66/54/36/388665436.db2.gz SWYWSWHHMDBKHU-GDBMZVCRSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000552054325 325591529 /nfs/dbraw/zinc/59/15/29/325591529.db2.gz SWYWSWHHMDBKHU-GOEBONIOSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000552054326 388665274 /nfs/dbraw/zinc/66/52/74/388665274.db2.gz SWYWSWHHMDBKHU-HOCLYGCPSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000552054327 388665423 /nfs/dbraw/zinc/66/54/23/388665423.db2.gz SWYWSWHHMDBKHU-ZBFHGGJFSA-N 1 0 249.373 3.783 20 0 BHADRO CC1(C[NH2+]C[C@@H](c2ccccc2)C2CC2)CC1 ZINC000552059657 388664936 /nfs/dbraw/zinc/66/49/36/388664936.db2.gz QUYVEWBNRXWRFP-HNNXBMFYSA-N 1 0 229.367 3.570 20 0 BHADRO CC1(C[NH2+]C[C@H](c2ccccc2)C2CC2)CC1 ZINC000552059658 388664694 /nfs/dbraw/zinc/66/46/94/388664694.db2.gz QUYVEWBNRXWRFP-OAHLLOKOSA-N 1 0 229.367 3.570 20 0 BHADRO CCSCC[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000552059745 388665530 /nfs/dbraw/zinc/66/55/30/388665530.db2.gz XGWIPNGLOUQVJN-HNNXBMFYSA-N 1 0 249.423 3.523 20 0 BHADRO CCSCC[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000552059746 388665648 /nfs/dbraw/zinc/66/56/48/388665648.db2.gz XGWIPNGLOUQVJN-OAHLLOKOSA-N 1 0 249.423 3.523 20 0 BHADRO CC(C)OC1CC([NH2+]CC(C)(C)C(C)(C)C)C1 ZINC000552060398 325593067 /nfs/dbraw/zinc/59/30/67/325593067.db2.gz SEGCRPGIHRPCQK-UHFFFAOYSA-N 1 0 241.419 3.604 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](CC3(F)CC3)C2)cc1 ZINC000552060834 388664620 /nfs/dbraw/zinc/66/46/20/388664620.db2.gz LLGIZFJRZHSVIY-HNNXBMFYSA-N 1 0 247.357 3.540 20 0 BHADRO CCc1ccc([C@@H]2CC[N@H+](CC3(F)CC3)C2)cc1 ZINC000552060835 388665107 /nfs/dbraw/zinc/66/51/07/388665107.db2.gz LLGIZFJRZHSVIY-OAHLLOKOSA-N 1 0 247.357 3.540 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000552061630 325592903 /nfs/dbraw/zinc/59/29/03/325592903.db2.gz UDESRRJJFSVDCO-CABCVRRESA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000552061631 325592973 /nfs/dbraw/zinc/59/29/73/325592973.db2.gz UDESRRJJFSVDCO-GJZGRUSLSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000552061632 325592034 /nfs/dbraw/zinc/59/20/34/325592034.db2.gz UDESRRJJFSVDCO-HUUCEWRRSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000552061633 325592113 /nfs/dbraw/zinc/59/21/13/325592113.db2.gz UDESRRJJFSVDCO-LSDHHAIUSA-N 1 0 229.367 3.700 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000552064224 388665547 /nfs/dbraw/zinc/66/55/47/388665547.db2.gz AIJVQMOZUKMFIA-HNQUOIGGSA-N 1 0 245.341 3.715 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000552064225 388665215 /nfs/dbraw/zinc/66/52/15/388665215.db2.gz AIJVQMOZUKMFIA-IWQZZHSRSA-N 1 0 245.341 3.715 20 0 BHADRO Cc1ccc(C[N@@H+](C[C@@H]2C[C@@H]2C)C(C)C)s1 ZINC000552064246 388665902 /nfs/dbraw/zinc/66/59/02/388665902.db2.gz BBBQRVRWOUMXGI-AAEUAGOBSA-N 1 0 237.412 3.923 20 0 BHADRO Cc1ccc(C[N@@H+](C[C@H]2C[C@H]2C)C(C)C)s1 ZINC000552064247 388666115 /nfs/dbraw/zinc/66/61/15/388666115.db2.gz BBBQRVRWOUMXGI-DGCLKSJQSA-N 1 0 237.412 3.923 20 0 BHADRO Cc1ccc(C[N@@H+](C[C@H]2C[C@@H]2C)C(C)C)s1 ZINC000552064248 388666291 /nfs/dbraw/zinc/66/62/91/388666291.db2.gz BBBQRVRWOUMXGI-WCQYABFASA-N 1 0 237.412 3.923 20 0 BHADRO Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C)C(C)C)s1 ZINC000552064249 388666356 /nfs/dbraw/zinc/66/63/56/388666356.db2.gz BBBQRVRWOUMXGI-YPMHNXCESA-N 1 0 237.412 3.923 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1C[C@@H]1C ZINC000552064470 388666710 /nfs/dbraw/zinc/66/67/10/388666710.db2.gz SGYALZLSGAQOII-GXTWGEPZSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1C[C@@H]1C ZINC000552064471 388666106 /nfs/dbraw/zinc/66/61/06/388666106.db2.gz SGYALZLSGAQOII-JSGCOSHPSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1C[C@H]1C ZINC000552064472 388666458 /nfs/dbraw/zinc/66/64/58/388666458.db2.gz SGYALZLSGAQOII-OCCSQVGLSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1C[C@H]1C ZINC000552064473 388666631 /nfs/dbraw/zinc/66/66/31/388666631.db2.gz SGYALZLSGAQOII-TZMCWYRMSA-N 1 0 235.346 3.692 20 0 BHADRO CCn1cccc1C[N@H+](C)CC1CCCCC1 ZINC000552064505 388665916 /nfs/dbraw/zinc/66/59/16/388665916.db2.gz VTAIMIZUXCPSOQ-UHFFFAOYSA-N 1 0 234.387 3.520 20 0 BHADRO FCCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000552065030 325593384 /nfs/dbraw/zinc/59/33/84/325593384.db2.gz YCIHBBCMKRQKQV-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000552065031 388666700 /nfs/dbraw/zinc/66/67/00/388666700.db2.gz YCIHBBCMKRQKQV-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CCc2ccccc2C1(C)C ZINC000552067862 388665964 /nfs/dbraw/zinc/66/59/64/388665964.db2.gz GMMVIRAYTMOBHO-GFCCVEGCSA-N 1 0 235.346 3.528 20 0 BHADRO C[C@H](F)CC[N@@H+]1CCc2ccccc2C1(C)C ZINC000552067863 388666447 /nfs/dbraw/zinc/66/64/47/388666447.db2.gz GMMVIRAYTMOBHO-LBPRGKRZSA-N 1 0 235.346 3.528 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000552070398 388665853 /nfs/dbraw/zinc/66/58/53/388665853.db2.gz OJDBHZORSYBKKH-CABCVRRESA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000552070399 325593866 /nfs/dbraw/zinc/59/38/66/325593866.db2.gz OJDBHZORSYBKKH-GJZGRUSLSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000552070400 388666062 /nfs/dbraw/zinc/66/60/62/388666062.db2.gz OJDBHZORSYBKKH-HUUCEWRRSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000552070401 388666361 /nfs/dbraw/zinc/66/63/61/388666361.db2.gz OJDBHZORSYBKKH-LSDHHAIUSA-N 1 0 247.357 3.839 20 0 BHADRO CC[N@H+](CCCCF)Cc1ccc(C)cc1 ZINC000552070671 388665974 /nfs/dbraw/zinc/66/59/74/388665974.db2.gz PVDSYBOCFLOZJX-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO CSC1(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)CCC1 ZINC000552071794 388667318 /nfs/dbraw/zinc/66/73/18/388667318.db2.gz CSVVTGYXQQTJMI-GFCCVEGCSA-N 1 0 241.444 3.639 20 0 BHADRO CSC1(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)CCC1 ZINC000552071795 388667363 /nfs/dbraw/zinc/66/73/63/388667363.db2.gz CSVVTGYXQQTJMI-LBPRGKRZSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552071972 325594077 /nfs/dbraw/zinc/59/40/77/325594077.db2.gz MRXSFCGTPRJJBF-MQMHXKEQSA-N 1 0 235.346 3.707 20 0 BHADRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000552072024 388667127 /nfs/dbraw/zinc/66/71/27/388667127.db2.gz QDBYMVFIBXZNRD-HNNXBMFYSA-N 1 0 247.382 3.562 20 0 BHADRO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c1 ZINC000552072025 388667371 /nfs/dbraw/zinc/66/73/71/388667371.db2.gz QDBYMVFIBXZNRD-OAHLLOKOSA-N 1 0 247.382 3.562 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552072142 388667499 /nfs/dbraw/zinc/66/74/99/388667499.db2.gz XVUIHRZHGIKPQR-UXIGCNINSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552072143 325594252 /nfs/dbraw/zinc/59/42/52/325594252.db2.gz XVUIHRZHGIKPQR-WHOFXGATSA-N 1 0 235.346 3.707 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCNc2ccccc2)CC1 ZINC000552072194 325594078 /nfs/dbraw/zinc/59/40/78/325594078.db2.gz JECHMKOURBZMTD-INIZCTEOSA-N 1 0 244.382 3.577 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCNc2ccccc2)CC1 ZINC000552072195 388666912 /nfs/dbraw/zinc/66/69/12/388666912.db2.gz JECHMKOURBZMTD-MRXNPFEDSA-N 1 0 244.382 3.577 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000552072775 325594196 /nfs/dbraw/zinc/59/41/96/325594196.db2.gz GFNYEDQUJNUEEA-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000552072776 388666921 /nfs/dbraw/zinc/66/69/21/388666921.db2.gz GFNYEDQUJNUEEA-IHRRRGAJSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000552072777 388667477 /nfs/dbraw/zinc/66/74/77/388667477.db2.gz GFNYEDQUJNUEEA-MELADBBJSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000552072778 388664372 /nfs/dbraw/zinc/66/43/72/388664372.db2.gz GFNYEDQUJNUEEA-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000552074498 325594393 /nfs/dbraw/zinc/59/43/93/325594393.db2.gz QODWKIRQZGEARF-DZKIICNBSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000552074499 388667307 /nfs/dbraw/zinc/66/73/07/388667307.db2.gz QODWKIRQZGEARF-IJEWVQPXSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000552074500 388667653 /nfs/dbraw/zinc/66/76/53/388667653.db2.gz QODWKIRQZGEARF-OFQRWUPVSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000552074501 325594383 /nfs/dbraw/zinc/59/43/83/325594383.db2.gz QODWKIRQZGEARF-YCPHGPKFSA-N 1 0 231.383 3.704 20 0 BHADRO Oc1cccc(C[N@@H+]2CCCC23CCCCC3)c1 ZINC000552077107 388667822 /nfs/dbraw/zinc/66/78/22/388667822.db2.gz XPLGHRURRJTYLB-UHFFFAOYSA-N 1 0 245.366 3.691 20 0 BHADRO C[N@H+](CCCCF)[C@H]1CCCc2ccccc21 ZINC000552081948 388667010 /nfs/dbraw/zinc/66/70/10/388667010.db2.gz ZIFDRELBPHZSPS-HNNXBMFYSA-N 1 0 235.346 3.746 20 0 BHADRO C[N@H+](CCCCF)[C@@H]1CCCc2ccccc21 ZINC000552081949 388667635 /nfs/dbraw/zinc/66/76/35/388667635.db2.gz ZIFDRELBPHZSPS-OAHLLOKOSA-N 1 0 235.346 3.746 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000552085420 325594902 /nfs/dbraw/zinc/59/49/02/325594902.db2.gz DOGCEUAFPIGSFH-HNNXBMFYSA-N 1 0 245.366 3.674 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000552085421 388668566 /nfs/dbraw/zinc/66/85/66/388668566.db2.gz DOGCEUAFPIGSFH-OAHLLOKOSA-N 1 0 245.366 3.674 20 0 BHADRO FC1(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000552086058 388668869 /nfs/dbraw/zinc/66/88/69/388668869.db2.gz WHXOEVDTFZMYCT-AWEZNQCLSA-N 1 0 245.341 3.716 20 0 BHADRO FC1(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000552086059 388668217 /nfs/dbraw/zinc/66/82/17/388668217.db2.gz WHXOEVDTFZMYCT-CQSZACIVSA-N 1 0 245.341 3.716 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000552086817 388668902 /nfs/dbraw/zinc/66/89/02/388668902.db2.gz RCIVWKRHNJVYJL-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000552086818 388668695 /nfs/dbraw/zinc/66/86/95/388668695.db2.gz RCIVWKRHNJVYJL-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000552086819 325594896 /nfs/dbraw/zinc/59/48/96/325594896.db2.gz RCIVWKRHNJVYJL-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000552086820 388668569 /nfs/dbraw/zinc/66/85/69/388668569.db2.gz RCIVWKRHNJVYJL-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000552091989 325595735 /nfs/dbraw/zinc/59/57/35/325595735.db2.gz FHFNRAIQYQQYNL-NXEZZACHSA-N 1 0 242.313 3.589 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000552091990 388668887 /nfs/dbraw/zinc/66/88/87/388668887.db2.gz FHFNRAIQYQQYNL-UWVGGRQHSA-N 1 0 242.313 3.589 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000552091991 325595890 /nfs/dbraw/zinc/59/58/90/325595890.db2.gz FHFNRAIQYQQYNL-VHSXEESVSA-N 1 0 242.313 3.589 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000552091992 388668089 /nfs/dbraw/zinc/66/80/89/388668089.db2.gz FHFNRAIQYQQYNL-ZJUUUORDSA-N 1 0 242.313 3.589 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000552095745 325596382 /nfs/dbraw/zinc/59/63/82/325596382.db2.gz QHMUQLZWGTWOGG-HNNXBMFYSA-N 1 0 245.366 3.674 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000552095746 325596266 /nfs/dbraw/zinc/59/62/66/325596266.db2.gz QHMUQLZWGTWOGG-OAHLLOKOSA-N 1 0 245.366 3.674 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000552097751 325596264 /nfs/dbraw/zinc/59/62/64/325596264.db2.gz LRZRLKUGAPXJQK-BXUZGUMPSA-N 1 0 245.370 3.792 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552097752 325596197 /nfs/dbraw/zinc/59/61/97/325596197.db2.gz LRZRLKUGAPXJQK-FZMZJTMJSA-N 1 0 245.370 3.792 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000552097753 325596338 /nfs/dbraw/zinc/59/63/38/325596338.db2.gz LRZRLKUGAPXJQK-RISCZKNCSA-N 1 0 245.370 3.792 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552097754 325596373 /nfs/dbraw/zinc/59/63/73/325596373.db2.gz LRZRLKUGAPXJQK-SMDDNHRTSA-N 1 0 245.370 3.792 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC1(C(F)(F)F)CC1 ZINC000552099524 325596403 /nfs/dbraw/zinc/59/64/03/325596403.db2.gz LMJCAFXYEDKLAY-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC1(C(F)(F)F)CC1 ZINC000552099525 325596180 /nfs/dbraw/zinc/59/61/80/325596180.db2.gz LMJCAFXYEDKLAY-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1cc(C)cc(C[N@H+](C)CCOC(C)(C)C)c1 ZINC000552102562 388669308 /nfs/dbraw/zinc/66/93/08/388669308.db2.gz FRIFNQIFJCMOFK-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CC(F)(F)C[NH2+]CCCC1CCCCC1 ZINC000552111614 388670737 /nfs/dbraw/zinc/67/07/37/388670737.db2.gz KFSCEMOYBKMIOY-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCc2cccc(F)c2)CC1 ZINC000552111845 325596847 /nfs/dbraw/zinc/59/68/47/325596847.db2.gz LEVAGBIDKVBAFX-INIZCTEOSA-N 1 0 247.357 3.847 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCc2cccc(F)c2)CC1 ZINC000552111846 388670812 /nfs/dbraw/zinc/67/08/12/388670812.db2.gz LEVAGBIDKVBAFX-MRXNPFEDSA-N 1 0 247.357 3.847 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552127269 325598275 /nfs/dbraw/zinc/59/82/75/325598275.db2.gz KFUDQVKUYMWNSR-FPMFFAJLSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552127270 388672247 /nfs/dbraw/zinc/67/22/47/388672247.db2.gz KFUDQVKUYMWNSR-IACUBPJLSA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552127271 388671401 /nfs/dbraw/zinc/67/14/01/388671401.db2.gz KFUDQVKUYMWNSR-UBHSHLNASA-N 1 0 209.377 3.900 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552127272 325598224 /nfs/dbraw/zinc/59/82/24/325598224.db2.gz KFUDQVKUYMWNSR-YUTCNCBUSA-N 1 0 209.377 3.900 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1CF ZINC000552129360 388672077 /nfs/dbraw/zinc/67/20/77/388672077.db2.gz MLLHJMWLUKRXRB-NRMKIYEFSA-N 1 0 233.330 3.524 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1CF ZINC000552129361 388671758 /nfs/dbraw/zinc/67/17/58/388671758.db2.gz MLLHJMWLUKRXRB-VOMSXAGXSA-N 1 0 233.330 3.524 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]1CF ZINC000552129362 388672388 /nfs/dbraw/zinc/67/23/88/388672388.db2.gz MLLHJMWLUKRXRB-VSKPTYQZSA-N 1 0 233.330 3.524 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H]1CF ZINC000552129363 388671473 /nfs/dbraw/zinc/67/14/73/388671473.db2.gz MLLHJMWLUKRXRB-WVUXNXBLSA-N 1 0 233.330 3.524 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cocn1 ZINC000552129659 388672265 /nfs/dbraw/zinc/67/22/65/388672265.db2.gz CYXROEVEKGDXTO-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cocn1 ZINC000552129660 388672204 /nfs/dbraw/zinc/67/22/04/388672204.db2.gz CYXROEVEKGDXTO-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1nccs1 ZINC000552136343 325599465 /nfs/dbraw/zinc/59/94/65/325599465.db2.gz MQBTZNUQGNEZJV-NEPJUHHUSA-N 1 0 236.384 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1nccs1 ZINC000552136344 388672901 /nfs/dbraw/zinc/67/29/01/388672901.db2.gz MQBTZNUQGNEZJV-NWDGAFQWSA-N 1 0 236.384 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)c1nccs1 ZINC000552136345 325599551 /nfs/dbraw/zinc/59/95/51/325599551.db2.gz MQBTZNUQGNEZJV-RYUDHWBXSA-N 1 0 236.384 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1nccs1 ZINC000552136346 388672908 /nfs/dbraw/zinc/67/29/08/388672908.db2.gz MQBTZNUQGNEZJV-VXGBXAGGSA-N 1 0 236.384 3.683 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=C(C)CC1)CO2 ZINC000552136427 325599600 /nfs/dbraw/zinc/59/96/00/325599600.db2.gz SUHKGGFMRWGWIQ-DZGCQCFKSA-N 1 0 243.350 3.517 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC=C(C)CC1)CO2 ZINC000552136428 325599555 /nfs/dbraw/zinc/59/95/55/325599555.db2.gz SUHKGGFMRWGWIQ-HIFRSBDPSA-N 1 0 243.350 3.517 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=C(C)CC1)CO2 ZINC000552136429 388672602 /nfs/dbraw/zinc/67/26/02/388672602.db2.gz SUHKGGFMRWGWIQ-UKRRQHHQSA-N 1 0 243.350 3.517 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC=C(C)CC1)CO2 ZINC000552136430 388672757 /nfs/dbraw/zinc/67/27/57/388672757.db2.gz SUHKGGFMRWGWIQ-ZFWWWQNUSA-N 1 0 243.350 3.517 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000552136505 325599479 /nfs/dbraw/zinc/59/94/79/325599479.db2.gz ZGBIOTIEDJBMNY-CVSAEHQPSA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000552136506 388672828 /nfs/dbraw/zinc/67/28/28/388672828.db2.gz ZGBIOTIEDJBMNY-NEXFUWMNSA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000552136507 325599423 /nfs/dbraw/zinc/59/94/23/325599423.db2.gz ZGBIOTIEDJBMNY-PFSRBDOWSA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000552136508 325599727 /nfs/dbraw/zinc/59/97/27/325599727.db2.gz ZGBIOTIEDJBMNY-WUCCLRPBSA-N 1 0 219.372 3.654 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552137002 325599657 /nfs/dbraw/zinc/59/96/57/325599657.db2.gz AOEPBTWTFOUDLU-CHWSQXEVSA-N 1 0 227.417 3.607 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552137003 388672854 /nfs/dbraw/zinc/67/28/54/388672854.db2.gz AOEPBTWTFOUDLU-OLZOCXBDSA-N 1 0 227.417 3.607 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552137004 325599739 /nfs/dbraw/zinc/59/97/39/325599739.db2.gz AOEPBTWTFOUDLU-QWHCGFSZSA-N 1 0 227.417 3.607 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552137005 325599432 /nfs/dbraw/zinc/59/94/32/325599432.db2.gz AOEPBTWTFOUDLU-STQMWFEESA-N 1 0 227.417 3.607 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)o1 ZINC000552139501 388672799 /nfs/dbraw/zinc/67/27/99/388672799.db2.gz JMFJSVFHZQRFTJ-KBPBESRZSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)o1 ZINC000552139502 388673253 /nfs/dbraw/zinc/67/32/53/388673253.db2.gz JMFJSVFHZQRFTJ-KGLIPLIRSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)o1 ZINC000552139503 388673002 /nfs/dbraw/zinc/67/30/02/388673002.db2.gz JMFJSVFHZQRFTJ-UONOGXRCSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)o1 ZINC000552139504 388673473 /nfs/dbraw/zinc/67/34/73/388673473.db2.gz JMFJSVFHZQRFTJ-ZIAGYGMSSA-N 1 0 233.355 3.599 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H]1F ZINC000552143080 388672772 /nfs/dbraw/zinc/67/27/72/388672772.db2.gz AVBUFXFENRYFMG-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000552146751 325600534 /nfs/dbraw/zinc/60/05/34/325600534.db2.gz ZHBMUCZQFIAVAP-AEGPPILISA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000552146752 325600722 /nfs/dbraw/zinc/60/07/22/325600722.db2.gz ZHBMUCZQFIAVAP-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000552146907 325600916 /nfs/dbraw/zinc/60/09/16/325600916.db2.gz CTALSKUKCULNBF-CYDGBPFRSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000552146908 325600997 /nfs/dbraw/zinc/60/09/97/325600997.db2.gz CTALSKUKCULNBF-FDYHWXHSSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000552146909 325601137 /nfs/dbraw/zinc/60/11/37/325601137.db2.gz CTALSKUKCULNBF-FVCCEPFGSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000552146910 325600832 /nfs/dbraw/zinc/60/08/32/325600832.db2.gz CTALSKUKCULNBF-RVMXOQNASA-N 1 0 249.785 3.832 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000552152282 325601302 /nfs/dbraw/zinc/60/13/02/325601302.db2.gz YXARQXKZHMYQOB-CHWSQXEVSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000552152284 325601319 /nfs/dbraw/zinc/60/13/19/325601319.db2.gz YXARQXKZHMYQOB-OLZOCXBDSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000552152285 388674288 /nfs/dbraw/zinc/67/42/88/388674288.db2.gz YXARQXKZHMYQOB-QWHCGFSZSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000552152286 325601313 /nfs/dbraw/zinc/60/13/13/325601313.db2.gz YXARQXKZHMYQOB-STQMWFEESA-N 1 0 207.361 3.654 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CC=C(C)CC2)c(C)c1 ZINC000552152977 490189569 /nfs/dbraw/zinc/18/95/69/490189569.db2.gz RZANJUMQOYKXNX-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)c(C)c1 ZINC000552152978 490189543 /nfs/dbraw/zinc/18/95/43/490189543.db2.gz RZANJUMQOYKXNX-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552152987 388674271 /nfs/dbraw/zinc/67/42/71/388674271.db2.gz UKMDMOAYEZXSFL-DZGCQCFKSA-N 1 0 244.382 3.793 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552152988 325601416 /nfs/dbraw/zinc/60/14/16/325601416.db2.gz UKMDMOAYEZXSFL-HIFRSBDPSA-N 1 0 244.382 3.793 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552152989 325601381 /nfs/dbraw/zinc/60/13/81/325601381.db2.gz UKMDMOAYEZXSFL-UKRRQHHQSA-N 1 0 244.382 3.793 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552152990 388674462 /nfs/dbraw/zinc/67/44/62/388674462.db2.gz UKMDMOAYEZXSFL-ZFWWWQNUSA-N 1 0 244.382 3.793 20 0 BHADRO CC(C)([NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000552160120 388674984 /nfs/dbraw/zinc/67/49/84/388674984.db2.gz IERLIAHKDFIDNZ-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc2occc2c1 ZINC000552162118 325602724 /nfs/dbraw/zinc/60/27/24/325602724.db2.gz FVLLLLAWAOKYOZ-UHFFFAOYSA-N 1 0 231.339 3.957 20 0 BHADRO CCc1ccc(C[N@H+](C)CCC2CC2)s1 ZINC000552190320 388678985 /nfs/dbraw/zinc/67/89/85/388678985.db2.gz JTEPZJINKXFCRI-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1ccccc1OCC(C)C ZINC000552195921 388679988 /nfs/dbraw/zinc/67/99/88/388679988.db2.gz GVXZDYXKFIPHSU-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1ccccc1OCC(C)C ZINC000552195922 388679794 /nfs/dbraw/zinc/67/97/94/388679794.db2.gz GVXZDYXKFIPHSU-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO Clc1ccc([C@@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC000552229180 388683118 /nfs/dbraw/zinc/68/31/18/388683118.db2.gz TZYONXCHLSHTLS-GFCCVEGCSA-N 1 0 235.758 3.682 20 0 BHADRO Clc1ccc([C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC000552229181 388683346 /nfs/dbraw/zinc/68/33/46/388683346.db2.gz TZYONXCHLSHTLS-LBPRGKRZSA-N 1 0 235.758 3.682 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000552234777 388683891 /nfs/dbraw/zinc/68/38/91/388683891.db2.gz HCGHBZHKUHUZHE-APHBMKBZSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000552234778 388683941 /nfs/dbraw/zinc/68/39/41/388683941.db2.gz HCGHBZHKUHUZHE-MAZHCROVSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000552234779 388684366 /nfs/dbraw/zinc/68/43/66/388684366.db2.gz HCGHBZHKUHUZHE-RCBQFDQVSA-N 1 0 247.382 3.780 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000552234780 388684745 /nfs/dbraw/zinc/68/47/45/388684745.db2.gz HCGHBZHKUHUZHE-VBNZEHGJSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000552235736 388683993 /nfs/dbraw/zinc/68/39/93/388683993.db2.gz QKHNYJHEZAYKRW-CVEARBPZSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000552235737 388684095 /nfs/dbraw/zinc/68/40/95/388684095.db2.gz QKHNYJHEZAYKRW-HOTGVXAUSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000552235738 388684137 /nfs/dbraw/zinc/68/41/37/388684137.db2.gz QKHNYJHEZAYKRW-HZPDHXFCSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000552235739 325613219 /nfs/dbraw/zinc/61/32/19/325613219.db2.gz QKHNYJHEZAYKRW-JKSUJKDBSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000552238075 325613386 /nfs/dbraw/zinc/61/33/86/325613386.db2.gz RXHGUPCYXCWHEI-CABCVRRESA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000552238078 388684481 /nfs/dbraw/zinc/68/44/81/388684481.db2.gz RXHGUPCYXCWHEI-GJZGRUSLSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000552238079 388684714 /nfs/dbraw/zinc/68/47/14/388684714.db2.gz RXHGUPCYXCWHEI-HUUCEWRRSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000552238080 388684604 /nfs/dbraw/zinc/68/46/04/388684604.db2.gz RXHGUPCYXCWHEI-LSDHHAIUSA-N 1 0 249.423 3.803 20 0 BHADRO Cc1ccoc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000552243031 388685080 /nfs/dbraw/zinc/68/50/80/388685080.db2.gz KMBIGYHDIYWXDG-HZSPNIEDSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccoc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000552243032 388686043 /nfs/dbraw/zinc/68/60/43/388686043.db2.gz KMBIGYHDIYWXDG-MCIONIFRSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccoc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000552243033 388685621 /nfs/dbraw/zinc/68/56/21/388685621.db2.gz KMBIGYHDIYWXDG-MGPQQGTHSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccoc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000552243034 388685900 /nfs/dbraw/zinc/68/59/00/388685900.db2.gz KMBIGYHDIYWXDG-RDBSUJKOSA-N 1 0 233.355 3.741 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)o1 ZINC000552243626 325614126 /nfs/dbraw/zinc/61/41/26/325614126.db2.gz HQGDWEOMGRFNHM-APHBMKBZSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)o1 ZINC000552243697 388685924 /nfs/dbraw/zinc/68/59/24/388685924.db2.gz HQGDWEOMGRFNHM-MAZHCROVSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)o1 ZINC000552243698 388685377 /nfs/dbraw/zinc/68/53/77/388685377.db2.gz HQGDWEOMGRFNHM-RCBQFDQVSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)o1 ZINC000552243699 325614128 /nfs/dbraw/zinc/61/41/28/325614128.db2.gz HQGDWEOMGRFNHM-VBNZEHGJSA-N 1 0 249.398 3.933 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000552246360 325614079 /nfs/dbraw/zinc/61/40/79/325614079.db2.gz RLNQASXWVKJCDQ-APHBMKBZSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000552246361 388685504 /nfs/dbraw/zinc/68/55/04/388685504.db2.gz RLNQASXWVKJCDQ-MAZHCROVSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000552246362 325614072 /nfs/dbraw/zinc/61/40/72/325614072.db2.gz RLNQASXWVKJCDQ-RCBQFDQVSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000552246363 388685009 /nfs/dbraw/zinc/68/50/09/388685009.db2.gz RLNQASXWVKJCDQ-VBNZEHGJSA-N 1 0 247.382 3.780 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2CCC(C)CC2)c1 ZINC000552251495 388686843 /nfs/dbraw/zinc/68/68/43/388686843.db2.gz ZGMBTRVNPOWBDY-BLZCZZARSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2CCC(C)CC2)c1 ZINC000552251496 325614518 /nfs/dbraw/zinc/61/45/18/325614518.db2.gz ZGMBTRVNPOWBDY-HNFVBEJKSA-N 1 0 246.398 3.867 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000552252099 325614884 /nfs/dbraw/zinc/61/48/84/325614884.db2.gz BBFKHUZXFPKVRM-GXTWGEPZSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000552252100 388686787 /nfs/dbraw/zinc/68/67/87/388686787.db2.gz BBFKHUZXFPKVRM-JSGCOSHPSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000552252101 388686454 /nfs/dbraw/zinc/68/64/54/388686454.db2.gz BBFKHUZXFPKVRM-OCCSQVGLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000552252102 325614741 /nfs/dbraw/zinc/61/47/41/325614741.db2.gz BBFKHUZXFPKVRM-TZMCWYRMSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(Cl)c1 ZINC000552256463 388687449 /nfs/dbraw/zinc/68/74/49/388687449.db2.gz LUZFHHXTWQGRHM-CYBMUJFWSA-N 1 0 223.747 3.633 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1cc(C)cc(Cl)c1 ZINC000552256464 388686688 /nfs/dbraw/zinc/68/66/88/388686688.db2.gz LUZFHHXTWQGRHM-ZDUSSCGKSA-N 1 0 223.747 3.633 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000552256561 388687276 /nfs/dbraw/zinc/68/72/76/388687276.db2.gz QZYDVXUFLSUYFX-UHFFFAOYSA-N 1 0 245.288 3.724 20 0 BHADRO CC[N@H+](Cc1ccsc1C)CC(C)(C)C ZINC000552256708 388687171 /nfs/dbraw/zinc/68/71/71/388687171.db2.gz ZVMZKHIBRIJUAW-UHFFFAOYSA-N 1 0 225.401 3.925 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)C(C)(C)C)cn1 ZINC000552272959 388687864 /nfs/dbraw/zinc/68/78/64/388687864.db2.gz KMEMUAIMHRSEEG-UHFFFAOYSA-N 1 0 248.414 3.806 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000552273406 388687854 /nfs/dbraw/zinc/68/78/54/388687854.db2.gz ITOJKHQSBMHCPL-HNNXBMFYSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)(C)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000552273407 325616220 /nfs/dbraw/zinc/61/62/20/325616220.db2.gz ITOJKHQSBMHCPL-OAHLLOKOSA-N 1 0 231.383 3.816 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000552274211 388688862 /nfs/dbraw/zinc/68/88/62/388688862.db2.gz HCGWWUMNLRBAKB-HNNXBMFYSA-N 1 0 249.423 3.619 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000552274212 388687912 /nfs/dbraw/zinc/68/79/12/388687912.db2.gz HCGWWUMNLRBAKB-OAHLLOKOSA-N 1 0 249.423 3.619 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000552275568 325616551 /nfs/dbraw/zinc/61/65/51/325616551.db2.gz ZXIRHIZNOIXRBP-CVEARBPZSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000552275569 388687859 /nfs/dbraw/zinc/68/78/59/388687859.db2.gz ZXIRHIZNOIXRBP-HOTGVXAUSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@H]1CC[C@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000552275570 322868466 /nfs/dbraw/zinc/86/84/66/322868466.db2.gz ZXIRHIZNOIXRBP-HZPDHXFCSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1Nc1cccc(C[NH+](C)C)c1 ZINC000552275571 322868403 /nfs/dbraw/zinc/86/84/03/322868403.db2.gz ZXIRHIZNOIXRBP-JKSUJKDBSA-N 1 0 246.398 3.595 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2(CC(C)C)CC2)c1 ZINC000552275898 322868648 /nfs/dbraw/zinc/86/86/48/322868648.db2.gz DLQLPWOHPOEUBS-AWEZNQCLSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2(CC(C)C)CC2)c1 ZINC000552275899 384877256 /nfs/dbraw/zinc/87/72/56/384877256.db2.gz DLQLPWOHPOEUBS-CQSZACIVSA-N 1 0 246.398 3.867 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1Nc1ccc(C[NH+](C)C)cc1 ZINC000552276068 388688805 /nfs/dbraw/zinc/68/88/05/388688805.db2.gz JTEBJENHXZKUML-CVEARBPZSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1Nc1ccc(C[NH+](C)C)cc1 ZINC000552276069 322868826 /nfs/dbraw/zinc/86/88/26/322868826.db2.gz JTEBJENHXZKUML-HOTGVXAUSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@H]1CC[C@H]1Nc1ccc(C[NH+](C)C)cc1 ZINC000552276070 384875933 /nfs/dbraw/zinc/87/59/33/384875933.db2.gz JTEBJENHXZKUML-HZPDHXFCSA-N 1 0 246.398 3.595 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1Nc1ccc(C[NH+](C)C)cc1 ZINC000552276071 322868645 /nfs/dbraw/zinc/86/86/45/322868645.db2.gz JTEBJENHXZKUML-JKSUJKDBSA-N 1 0 246.398 3.595 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000552276098 325616660 /nfs/dbraw/zinc/61/66/60/325616660.db2.gz KLAZQEODIYHOEX-FPMFFAJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000552276099 325616476 /nfs/dbraw/zinc/61/64/76/325616476.db2.gz KLAZQEODIYHOEX-IACUBPJLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000552276100 388688793 /nfs/dbraw/zinc/68/87/93/388688793.db2.gz KLAZQEODIYHOEX-UBHSHLNASA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000552276101 325616632 /nfs/dbraw/zinc/61/66/32/325616632.db2.gz KLAZQEODIYHOEX-YUTCNCBUSA-N 1 0 234.387 3.865 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1C[C@@H]1C ZINC000552278147 388688649 /nfs/dbraw/zinc/68/86/49/388688649.db2.gz UHCAORCHVPOWKS-GXTWGEPZSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H]1C[C@@H]1C ZINC000552278148 388687848 /nfs/dbraw/zinc/68/78/48/388687848.db2.gz UHCAORCHVPOWKS-JSGCOSHPSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H]1C[C@H]1C ZINC000552278149 388688705 /nfs/dbraw/zinc/68/87/05/388688705.db2.gz UHCAORCHVPOWKS-OCCSQVGLSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1C[C@H]1C ZINC000552278150 388688167 /nfs/dbraw/zinc/68/81/67/388688167.db2.gz UHCAORCHVPOWKS-TZMCWYRMSA-N 1 0 235.346 3.692 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC(C(C)C)C(C)C)c1 ZINC000552280602 388689325 /nfs/dbraw/zinc/68/93/25/388689325.db2.gz MGMYWFCDFPSJPM-AWEZNQCLSA-N 1 0 248.414 3.969 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC(C(C)C)C(C)C)c1 ZINC000552280603 388689649 /nfs/dbraw/zinc/68/96/49/388689649.db2.gz MGMYWFCDFPSJPM-CQSZACIVSA-N 1 0 248.414 3.969 20 0 BHADRO CC(C)CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000552280940 388689995 /nfs/dbraw/zinc/68/99/95/388689995.db2.gz YNKIXNYPZZTXHO-HNNXBMFYSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000552280941 388689345 /nfs/dbraw/zinc/68/93/45/388689345.db2.gz YNKIXNYPZZTXHO-OAHLLOKOSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[N@H+](CCc1cccc(F)c1)C1CCC1 ZINC000552280999 388689870 /nfs/dbraw/zinc/68/98/70/388689870.db2.gz AVKGLZUSMVYOTB-UHFFFAOYSA-N 1 0 235.346 3.633 20 0 BHADRO CS[C@@H]1CCCC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000552281105 388689340 /nfs/dbraw/zinc/68/93/40/388689340.db2.gz HLUCALSGMKEQKM-CHWSQXEVSA-N 1 0 229.433 3.639 20 0 BHADRO CS[C@H]1CCCC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000552281106 388689918 /nfs/dbraw/zinc/68/99/18/388689918.db2.gz HLUCALSGMKEQKM-OLZOCXBDSA-N 1 0 229.433 3.639 20 0 BHADRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000552281107 388689500 /nfs/dbraw/zinc/68/95/00/388689500.db2.gz HLUCALSGMKEQKM-QWHCGFSZSA-N 1 0 229.433 3.639 20 0 BHADRO CS[C@H]1CCCC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000552281108 388689866 /nfs/dbraw/zinc/68/98/66/388689866.db2.gz HLUCALSGMKEQKM-STQMWFEESA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000552281118 388689845 /nfs/dbraw/zinc/68/98/45/388689845.db2.gz HRNQAFBHRJWIHH-GFCCVEGCSA-N 1 0 235.346 3.618 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000552281119 388689746 /nfs/dbraw/zinc/68/97/46/388689746.db2.gz HRNQAFBHRJWIHH-LBPRGKRZSA-N 1 0 235.346 3.618 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCCOC(C)C)cc1C ZINC000552290224 388689560 /nfs/dbraw/zinc/68/95/60/388689560.db2.gz BNJKVKNWVYIQBI-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO Cc1cccc(C[N@@H+](C)CCCOC(C)C)c1C ZINC000552290418 388689706 /nfs/dbraw/zinc/68/97/06/388689706.db2.gz INZLGPVPPBYYHM-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000552292352 325617758 /nfs/dbraw/zinc/61/77/58/325617758.db2.gz NNJNCVIQTUKIQV-RBAFREBBSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]CC1Cc2ccccc2C1 ZINC000552292538 325617804 /nfs/dbraw/zinc/61/78/04/325617804.db2.gz XDNZVTJJGNKEMR-UHFFFAOYSA-N 1 0 245.410 3.816 20 0 BHADRO COc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000552292719 388691056 /nfs/dbraw/zinc/69/10/56/388691056.db2.gz CMPJJEOGHFPLNC-HNNXBMFYSA-N 1 0 247.382 3.562 20 0 BHADRO COc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC000552292720 388691005 /nfs/dbraw/zinc/69/10/05/388691005.db2.gz CMPJJEOGHFPLNC-OAHLLOKOSA-N 1 0 247.382 3.562 20 0 BHADRO Cc1ccc(CCC[NH2+]C(C)(C)C(C)(C)C)cn1 ZINC000552292903 325617935 /nfs/dbraw/zinc/61/79/35/325617935.db2.gz IUCKQNZYBRYSAT-UHFFFAOYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]CC2(SC)CCC2)CC1 ZINC000552293169 388691178 /nfs/dbraw/zinc/69/11/78/388691178.db2.gz UTJRCJJDDWGUHK-JOCQHMNTSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@H]1C ZINC000552298183 388690805 /nfs/dbraw/zinc/69/08/05/388690805.db2.gz UTCIYMTVHWQNKB-BMFZPTHFSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000552298184 388690460 /nfs/dbraw/zinc/69/04/60/388690460.db2.gz UTCIYMTVHWQNKB-FVQBIDKESA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000552298185 325618416 /nfs/dbraw/zinc/61/84/16/325618416.db2.gz UTCIYMTVHWQNKB-IMJJTQAJSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000552298186 384892025 /nfs/dbraw/zinc/89/20/25/384892025.db2.gz UTCIYMTVHWQNKB-NUEKZKHPSA-N 1 0 231.383 3.704 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000552298791 388690535 /nfs/dbraw/zinc/69/05/35/388690535.db2.gz JIPINRAQLJUXGY-BYCMXARLSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000552298792 388690659 /nfs/dbraw/zinc/69/06/59/388690659.db2.gz JIPINRAQLJUXGY-DFBGVHRSSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000552298793 388690500 /nfs/dbraw/zinc/69/05/00/388690500.db2.gz JIPINRAQLJUXGY-KCPJHIHWSA-N 1 0 229.367 3.797 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000552298794 325618483 /nfs/dbraw/zinc/61/84/83/325618483.db2.gz JIPINRAQLJUXGY-UGFHNGPFSA-N 1 0 229.367 3.797 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C)C(C)C)cc1 ZINC000552299000 388690646 /nfs/dbraw/zinc/69/06/46/388690646.db2.gz PLFDUHDYLQHLDM-APHBMKBZSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C)C(C)C)cc1 ZINC000552299001 388690496 /nfs/dbraw/zinc/69/04/96/388690496.db2.gz PLFDUHDYLQHLDM-DAXOMENPSA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H]2C)C(C)C)cc1 ZINC000552299002 388690657 /nfs/dbraw/zinc/69/06/57/388690657.db2.gz PLFDUHDYLQHLDM-UHOFOFEASA-N 1 0 247.382 3.780 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C)C(C)C)cc1 ZINC000552299003 325618417 /nfs/dbraw/zinc/61/84/17/325618417.db2.gz PLFDUHDYLQHLDM-VBNZEHGJSA-N 1 0 247.382 3.780 20 0 BHADRO Cc1ccc(C[NH+](CC2CC2)CC2CC2)s1 ZINC000552300686 325618421 /nfs/dbraw/zinc/61/84/21/325618421.db2.gz XNVRUPHLXHLHQN-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000552313128 388692096 /nfs/dbraw/zinc/69/20/96/388692096.db2.gz ONKWTNSOPPMCNH-CMPLNLGQSA-N 1 0 239.309 3.544 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000552313129 388691945 /nfs/dbraw/zinc/69/19/45/388691945.db2.gz ONKWTNSOPPMCNH-JQWIXIFHSA-N 1 0 239.309 3.544 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000552313130 388692337 /nfs/dbraw/zinc/69/23/37/388692337.db2.gz ONKWTNSOPPMCNH-PWSUYJOCSA-N 1 0 239.309 3.544 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000552313131 325620230 /nfs/dbraw/zinc/62/02/30/325620230.db2.gz ONKWTNSOPPMCNH-ZYHUDNBSSA-N 1 0 239.309 3.544 20 0 BHADRO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000552316821 388693453 /nfs/dbraw/zinc/69/34/53/388693453.db2.gz NRMGOZXSZOZULU-HNNXBMFYSA-N 1 0 229.367 3.870 20 0 BHADRO CC(C)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000552316822 388693507 /nfs/dbraw/zinc/69/35/07/388693507.db2.gz NRMGOZXSZOZULU-OAHLLOKOSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000552317838 325620582 /nfs/dbraw/zinc/62/05/82/325620582.db2.gz IRWRSJOAEKHNSZ-DMVVEVTLSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000552317839 388693565 /nfs/dbraw/zinc/69/35/65/388693565.db2.gz IRWRSJOAEKHNSZ-LKAFINOVSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000552317840 388693249 /nfs/dbraw/zinc/69/32/49/388693249.db2.gz IRWRSJOAEKHNSZ-XHXGSEDSSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000552317841 388692922 /nfs/dbraw/zinc/69/29/22/388692922.db2.gz IRWRSJOAEKHNSZ-ZLTXHLNPSA-N 1 0 229.367 3.567 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000552318016 388693560 /nfs/dbraw/zinc/69/35/60/388693560.db2.gz NNVICCKTLQXMDX-UHFFFAOYSA-N 1 0 230.355 3.755 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@H]1C ZINC000552318212 388693364 /nfs/dbraw/zinc/69/33/64/388693364.db2.gz TUZHWBSDNJJYET-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000552318213 325620541 /nfs/dbraw/zinc/62/05/41/325620541.db2.gz TUZHWBSDNJJYET-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000552318214 325620524 /nfs/dbraw/zinc/62/05/24/325620524.db2.gz TUZHWBSDNJJYET-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000552318215 325620591 /nfs/dbraw/zinc/62/05/91/325620591.db2.gz TUZHWBSDNJJYET-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)C(C)(C)c1ccccc1 ZINC000552319678 388693571 /nfs/dbraw/zinc/69/35/71/388693571.db2.gz OAROUQUGAVENEM-IPYPFGDCSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)C(C)(C)c1ccccc1 ZINC000552319679 325620421 /nfs/dbraw/zinc/62/04/21/325620421.db2.gz OAROUQUGAVENEM-NFAWXSAZSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)C(C)(C)c1ccccc1 ZINC000552319680 325620603 /nfs/dbraw/zinc/62/06/03/325620603.db2.gz OAROUQUGAVENEM-UMVBOHGHSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)C(C)(C)c1ccccc1 ZINC000552319681 325620488 /nfs/dbraw/zinc/62/04/88/325620488.db2.gz OAROUQUGAVENEM-VNHYZAJKSA-N 1 0 231.383 3.741 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000552320102 388693549 /nfs/dbraw/zinc/69/35/49/388693549.db2.gz ZOASQUQNUWOUHQ-BQDHKBFISA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000552320103 388693228 /nfs/dbraw/zinc/69/32/28/388693228.db2.gz ZOASQUQNUWOUHQ-FWYOQMDTSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000552320104 325620477 /nfs/dbraw/zinc/62/04/77/325620477.db2.gz ZOASQUQNUWOUHQ-IPOQPSJVSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000552320105 325620526 /nfs/dbraw/zinc/62/05/26/325620526.db2.gz ZOASQUQNUWOUHQ-MEYUZBJRSA-N 1 0 247.357 3.850 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000552321186 388692972 /nfs/dbraw/zinc/69/29/72/388692972.db2.gz LQPDIRMCNIASCQ-CYBMUJFWSA-N 1 0 247.382 3.853 20 0 BHADRO CCCC[C@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000552321187 388693439 /nfs/dbraw/zinc/69/34/39/388693439.db2.gz LQPDIRMCNIASCQ-ZDUSSCGKSA-N 1 0 247.382 3.853 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc(C)c1F ZINC000552321330 325620812 /nfs/dbraw/zinc/62/08/12/325620812.db2.gz OEELWCXXCUGHBL-DUFXMDAXSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc(C)c1F ZINC000552321331 388692718 /nfs/dbraw/zinc/69/27/18/388692718.db2.gz OEELWCXXCUGHBL-LJWDBELGSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc(C)c1F ZINC000552321332 388692915 /nfs/dbraw/zinc/69/29/15/388692915.db2.gz OEELWCXXCUGHBL-LQJRIPTKSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc(C)c1F ZINC000552321333 325620850 /nfs/dbraw/zinc/62/08/50/325620850.db2.gz OEELWCXXCUGHBL-WFBYXXMGSA-N 1 0 235.346 3.892 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000552324802 325621078 /nfs/dbraw/zinc/62/10/78/325621078.db2.gz JZWNQAFTOMIUJA-DMRZNYOFSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000552324803 325621133 /nfs/dbraw/zinc/62/11/33/325621133.db2.gz JZWNQAFTOMIUJA-OEAJRASXSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000552324804 325621155 /nfs/dbraw/zinc/62/11/55/325621155.db2.gz JZWNQAFTOMIUJA-OJLVUWQFSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000552324805 388693047 /nfs/dbraw/zinc/69/30/47/388693047.db2.gz JZWNQAFTOMIUJA-SYAUCNOPSA-N 1 0 243.394 3.957 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000552325110 388692832 /nfs/dbraw/zinc/69/28/32/388692832.db2.gz OTDXPSPPPWVCIH-LLVKDONJSA-N 1 0 230.355 3.755 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000552325111 325621184 /nfs/dbraw/zinc/62/11/84/325621184.db2.gz OTDXPSPPPWVCIH-NSHDSACASA-N 1 0 230.355 3.755 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000552334057 388694337 /nfs/dbraw/zinc/69/43/37/388694337.db2.gz XOGQKPLCMNWAHH-QJPTWQEYSA-N 1 0 245.370 3.648 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000552334058 388694402 /nfs/dbraw/zinc/69/44/02/388694402.db2.gz XOGQKPLCMNWAHH-SDDRHHMPSA-N 1 0 245.370 3.648 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552334059 325621817 /nfs/dbraw/zinc/62/18/17/325621817.db2.gz XOGQKPLCMNWAHH-SRVKXCTJSA-N 1 0 245.370 3.648 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552334060 325621903 /nfs/dbraw/zinc/62/19/03/325621903.db2.gz XOGQKPLCMNWAHH-TUAOUCFPSA-N 1 0 245.370 3.648 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552338530 325622099 /nfs/dbraw/zinc/62/20/99/325622099.db2.gz HABJMKBSCXBISH-GHMZBOCLSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552338531 325622109 /nfs/dbraw/zinc/62/21/09/325622109.db2.gz HABJMKBSCXBISH-MNOVXSKESA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552338532 388694463 /nfs/dbraw/zinc/69/44/63/388694463.db2.gz HABJMKBSCXBISH-QWRGUYRKSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552338533 325622082 /nfs/dbraw/zinc/62/20/82/325622082.db2.gz HABJMKBSCXBISH-WDEREUQCSA-N 1 0 249.320 3.743 20 0 BHADRO CSCc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000552338780 325622201 /nfs/dbraw/zinc/62/22/01/325622201.db2.gz PHMYBUQJFNMQSZ-UHFFFAOYSA-N 1 0 249.423 3.828 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCCCC1 ZINC000552339005 325622441 /nfs/dbraw/zinc/62/24/41/325622441.db2.gz VNUHAOJCLCFBIJ-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CCCCC1 ZINC000552339006 325622102 /nfs/dbraw/zinc/62/21/02/325622102.db2.gz VNUHAOJCLCFBIJ-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccc2n[nH]cc2c1 ZINC000552339044 388694412 /nfs/dbraw/zinc/69/44/12/388694412.db2.gz WWOIYQHULDSNJE-LLVKDONJSA-N 1 0 243.354 3.546 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccc2n[nH]cc2c1 ZINC000552339045 388694376 /nfs/dbraw/zinc/69/43/76/388694376.db2.gz WWOIYQHULDSNJE-NSHDSACASA-N 1 0 243.354 3.546 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552340292 388695148 /nfs/dbraw/zinc/69/51/48/388695148.db2.gz QPNRIOZGGSGNBT-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552340293 388694352 /nfs/dbraw/zinc/69/43/52/388694352.db2.gz QPNRIOZGGSGNBT-URLYPYJESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(C(F)(F)F)CC1 ZINC000552340294 325621551 /nfs/dbraw/zinc/62/15/51/325621551.db2.gz QPNRIOZGGSGNBT-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO CC1CC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000552340458 322869389 /nfs/dbraw/zinc/86/93/89/322869389.db2.gz VRAHLLWZDABZPL-DISOXQEGSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000552341146 388695844 /nfs/dbraw/zinc/69/58/44/388695844.db2.gz GMZSRAYHOSXXKD-VNQPRFMTSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]1C ZINC000552341355 388695449 /nfs/dbraw/zinc/69/54/49/388695449.db2.gz KRBQMLKOVAAUKW-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]1C ZINC000552341356 325622607 /nfs/dbraw/zinc/62/26/07/325622607.db2.gz KRBQMLKOVAAUKW-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]1C ZINC000552341357 325622565 /nfs/dbraw/zinc/62/25/65/325622565.db2.gz KRBQMLKOVAAUKW-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]1C ZINC000552341358 388695838 /nfs/dbraw/zinc/69/58/38/388695838.db2.gz KRBQMLKOVAAUKW-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1ccc(C[N@H+](C)CCOC(C)(C)C)cc1C ZINC000552343927 388695607 /nfs/dbraw/zinc/69/56/07/388695607.db2.gz TWKYZEVSGSNIBM-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CSC1(C[NH2+]C2CC(C(C)(C)C)C2)CCC1 ZINC000552357629 388696731 /nfs/dbraw/zinc/69/67/31/388696731.db2.gz JMWZGDPWZDDUDE-UHFFFAOYSA-N 1 0 241.444 3.686 20 0 BHADRO CC(F)(F)C[NH2+]CCC1CCCCCC1 ZINC000552359670 388696736 /nfs/dbraw/zinc/69/67/36/388696736.db2.gz MYTMBELEZCSGHT-UHFFFAOYSA-N 1 0 219.319 3.592 20 0 BHADRO CC(C)C1([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000552362868 388697824 /nfs/dbraw/zinc/69/78/24/388697824.db2.gz PKFQRYDHGJHRGA-AWEZNQCLSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)C1([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000552362869 388697826 /nfs/dbraw/zinc/69/78/26/388697826.db2.gz PKFQRYDHGJHRGA-CQSZACIVSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000552392088 388701780 /nfs/dbraw/zinc/70/17/80/388701780.db2.gz GDNKBBZVKRVBMQ-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](CC[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000552392089 388702030 /nfs/dbraw/zinc/70/20/30/388702030.db2.gz GDNKBBZVKRVBMQ-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](CC[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000552392090 388702168 /nfs/dbraw/zinc/70/21/68/388702168.db2.gz GDNKBBZVKRVBMQ-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000552392091 388701851 /nfs/dbraw/zinc/70/18/51/388701851.db2.gz GDNKBBZVKRVBMQ-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000552408142 388704182 /nfs/dbraw/zinc/70/41/82/388704182.db2.gz YVTKQLTWPSAUFZ-CYBMUJFWSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1ccsc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000552408143 388704403 /nfs/dbraw/zinc/70/44/03/388704403.db2.gz YVTKQLTWPSAUFZ-ZDUSSCGKSA-N 1 0 235.396 3.679 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCc1ccccc1Cl ZINC000552508366 388719893 /nfs/dbraw/zinc/71/98/93/388719893.db2.gz CWTHQJSXVJLGNQ-LLVKDONJSA-N 1 0 225.763 3.613 20 0 BHADRO CC[C@H](C)[N@H+](C)CCc1ccccc1Cl ZINC000552508367 388719963 /nfs/dbraw/zinc/71/99/63/388719963.db2.gz CWTHQJSXVJLGNQ-NSHDSACASA-N 1 0 225.763 3.613 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000552555191 325653121 /nfs/dbraw/zinc/65/31/21/325653121.db2.gz LDSXCZKYOKOPIT-INIZCTEOSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000552555192 325653239 /nfs/dbraw/zinc/65/32/39/325653239.db2.gz LDSXCZKYOKOPIT-MRXNPFEDSA-N 1 0 243.394 3.570 20 0 BHADRO COc1ccccc1CC[N@H+](C)[C@@H](C)CC(C)C ZINC000552560084 388725258 /nfs/dbraw/zinc/72/52/58/388725258.db2.gz GNVQLXXHQYMARA-AWEZNQCLSA-N 1 0 249.398 3.604 20 0 BHADRO COc1ccccc1CC[N@H+](C)[C@H](C)CC(C)C ZINC000552560085 388725537 /nfs/dbraw/zinc/72/55/37/388725537.db2.gz GNVQLXXHQYMARA-CQSZACIVSA-N 1 0 249.398 3.604 20 0 BHADRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1C ZINC000552576287 325655774 /nfs/dbraw/zinc/65/57/74/325655774.db2.gz RJSGWTVXLIWUBH-DOMZBBRYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1C ZINC000552576288 325655776 /nfs/dbraw/zinc/65/57/76/325655776.db2.gz RJSGWTVXLIWUBH-IUODEOHRSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1C ZINC000552576289 388728812 /nfs/dbraw/zinc/72/88/12/388728812.db2.gz RJSGWTVXLIWUBH-SWLSCSKDSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1C ZINC000552576290 388728759 /nfs/dbraw/zinc/72/87/59/388728759.db2.gz RJSGWTVXLIWUBH-WFASDCNBSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000552576469 388728923 /nfs/dbraw/zinc/72/89/23/388728923.db2.gz YFNBCGWHQOUKDM-BLLLJJGKSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000552576470 325655749 /nfs/dbraw/zinc/65/57/49/325655749.db2.gz YFNBCGWHQOUKDM-LRDDRELGSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000552576471 325655937 /nfs/dbraw/zinc/65/59/37/325655937.db2.gz YFNBCGWHQOUKDM-MLGOLLRUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000552576472 388727884 /nfs/dbraw/zinc/72/78/84/388727884.db2.gz YFNBCGWHQOUKDM-WBMJQRKESA-N 1 0 229.367 3.761 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000552577476 388728207 /nfs/dbraw/zinc/72/82/07/388728207.db2.gz FGMOHXOAAUMHDC-GFCCVEGCSA-N 1 0 225.401 3.657 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CCc1cccs1 ZINC000552577477 388728734 /nfs/dbraw/zinc/72/87/34/388728734.db2.gz FGMOHXOAAUMHDC-LBPRGKRZSA-N 1 0 225.401 3.657 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCc1ccccc1Cl ZINC000552578505 388729690 /nfs/dbraw/zinc/72/96/90/388729690.db2.gz MCIUZLAHGOFEAU-LLVKDONJSA-N 1 0 237.774 3.613 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000552579535 388730008 /nfs/dbraw/zinc/73/00/08/388730008.db2.gz DOPKQHHZMVWYTE-CHWSQXEVSA-N 1 0 237.391 3.549 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552579536 325656968 /nfs/dbraw/zinc/65/69/68/325656968.db2.gz DOPKQHHZMVWYTE-OLZOCXBDSA-N 1 0 237.391 3.549 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000552579537 325656916 /nfs/dbraw/zinc/65/69/16/325656916.db2.gz DOPKQHHZMVWYTE-QWHCGFSZSA-N 1 0 237.391 3.549 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000552579538 325656812 /nfs/dbraw/zinc/65/68/12/325656812.db2.gz DOPKQHHZMVWYTE-STQMWFEESA-N 1 0 237.391 3.549 20 0 BHADRO Cc1cc([C@H]([NH2+][C@H](C)C2CC2)C2CC2)ccc1F ZINC000552579540 388729390 /nfs/dbraw/zinc/72/93/90/388729390.db2.gz DXQXMYCVRTVEQS-BDJLRTHQSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@@H]([NH2+][C@H](C)C2CC2)C2CC2)ccc1F ZINC000552579541 325656739 /nfs/dbraw/zinc/65/67/39/325656739.db2.gz DXQXMYCVRTVEQS-BZNIZROVSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H]([NH2+][C@@H](C)C2CC2)C2CC2)ccc1F ZINC000552579542 388729933 /nfs/dbraw/zinc/72/99/33/388729933.db2.gz DXQXMYCVRTVEQS-MEDUHNTESA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)ccc1F ZINC000552579543 325656902 /nfs/dbraw/zinc/65/69/02/325656902.db2.gz DXQXMYCVRTVEQS-ZBEGNZNMSA-N 1 0 247.357 3.973 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000552579579 388729323 /nfs/dbraw/zinc/72/93/23/388729323.db2.gz MJSQIVVSZRRXTJ-BBRMVZONSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C)cc1 ZINC000552579583 388729319 /nfs/dbraw/zinc/72/93/19/388729319.db2.gz MJSQIVVSZRRXTJ-CJNGLKHVSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000552579584 388730170 /nfs/dbraw/zinc/73/01/70/388730170.db2.gz MJSQIVVSZRRXTJ-CZUORRHYSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000552579585 388729741 /nfs/dbraw/zinc/72/97/41/388729741.db2.gz MJSQIVVSZRRXTJ-XJKSGUPXSA-N 1 0 247.382 3.706 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000552650051 388734379 /nfs/dbraw/zinc/73/43/79/388734379.db2.gz BIDKEVCGFNWIAS-CABCVRRESA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000552650052 388734241 /nfs/dbraw/zinc/73/42/41/388734241.db2.gz BIDKEVCGFNWIAS-GJZGRUSLSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000552650053 388734299 /nfs/dbraw/zinc/73/42/99/388734299.db2.gz BIDKEVCGFNWIAS-HUUCEWRRSA-N 1 0 241.419 3.609 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000552650054 325661745 /nfs/dbraw/zinc/66/17/45/325661745.db2.gz BIDKEVCGFNWIAS-LSDHHAIUSA-N 1 0 241.419 3.609 20 0 BHADRO CCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000552740238 517583440 /nfs/dbraw/zinc/58/34/40/517583440.db2.gz ZJGANMMPKIIRQU-UHFFFAOYSA-N 1 0 217.356 3.584 20 0 BHADRO CCC(CC)[N@H+](Cc1ncc(C)s1)C1CC1 ZINC000552812944 388737620 /nfs/dbraw/zinc/73/76/20/388737620.db2.gz MHRMRHJNZXJNPA-UHFFFAOYSA-N 1 0 238.400 3.605 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000552828512 388737759 /nfs/dbraw/zinc/73/77/59/388737759.db2.gz WDOSQHOZNIECHI-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CCOc1ccccc1C[N@H+](C)[C@H](C)CC(C)C ZINC000552828529 388737388 /nfs/dbraw/zinc/73/73/88/388737388.db2.gz WDOSQHOZNIECHI-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000552852196 388738566 /nfs/dbraw/zinc/73/85/66/388738566.db2.gz MSPNWNSFKGVRLV-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@H](C)CC(C)C)cc1 ZINC000552852197 388738705 /nfs/dbraw/zinc/73/87/05/388738705.db2.gz MSPNWNSFKGVRLV-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000552875202 388739980 /nfs/dbraw/zinc/73/99/80/388739980.db2.gz IGJHVQNBIHLHQC-KFWWJZLASA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000552875206 388739581 /nfs/dbraw/zinc/73/95/81/388739581.db2.gz IGJHVQNBIHLHQC-RBSFLKMASA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](CSC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000552875231 388739894 /nfs/dbraw/zinc/73/98/94/388739894.db2.gz IGJHVQNBIHLHQC-RRFJBIMHSA-N 1 0 249.423 3.521 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+]CCC1CCCCC1 ZINC000552879765 388739862 /nfs/dbraw/zinc/73/98/62/388739862.db2.gz DXFSXZUBDWXYMY-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+]CCC1CCCCC1 ZINC000552879766 325668487 /nfs/dbraw/zinc/66/84/87/325668487.db2.gz DXFSXZUBDWXYMY-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000552925889 325669953 /nfs/dbraw/zinc/66/99/53/325669953.db2.gz MNOVOKMGZPBHQX-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000552925890 325669872 /nfs/dbraw/zinc/66/98/72/325669872.db2.gz MNOVOKMGZPBHQX-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000552969335 325671397 /nfs/dbraw/zinc/67/13/97/325671397.db2.gz NDONEOLCXXVUIS-DMEJVMROSA-N 1 0 229.367 3.556 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000552969336 325671221 /nfs/dbraw/zinc/67/12/21/325671221.db2.gz NDONEOLCXXVUIS-KLZCAUPSSA-N 1 0 229.367 3.556 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000552969337 325671394 /nfs/dbraw/zinc/67/13/94/325671394.db2.gz NDONEOLCXXVUIS-NCZKRNLISA-N 1 0 229.367 3.556 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000552969338 325671163 /nfs/dbraw/zinc/67/11/63/325671163.db2.gz NDONEOLCXXVUIS-ZNEHSRBWSA-N 1 0 229.367 3.556 20 0 BHADRO CC(C)[C@H]([NH2+]CCF)c1cc2ccccc2o1 ZINC000553007650 388745146 /nfs/dbraw/zinc/74/51/46/388745146.db2.gz JQPXUZQCIBJUEU-AWEZNQCLSA-N 1 0 235.302 3.689 20 0 BHADRO CC(C)[C@@H]([NH2+]CCF)c1cc2ccccc2o1 ZINC000553007651 325674144 /nfs/dbraw/zinc/67/41/44/325674144.db2.gz JQPXUZQCIBJUEU-CQSZACIVSA-N 1 0 235.302 3.689 20 0 BHADRO CCSCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000553025614 388745720 /nfs/dbraw/zinc/74/57/20/388745720.db2.gz GXOUYBJJXSILES-UHFFFAOYSA-N 1 0 249.423 3.533 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)C(C)C ZINC000553096987 388747368 /nfs/dbraw/zinc/74/73/68/388747368.db2.gz MUFVYHXBJLQTJI-KFWWJZLASA-N 1 0 249.423 3.867 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)C(C)C ZINC000553096988 325676905 /nfs/dbraw/zinc/67/69/05/325676905.db2.gz MUFVYHXBJLQTJI-RBSFLKMASA-N 1 0 249.423 3.867 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)C(C)C ZINC000553096989 388747315 /nfs/dbraw/zinc/74/73/15/388747315.db2.gz MUFVYHXBJLQTJI-RRFJBIMHSA-N 1 0 249.423 3.867 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)C(C)C ZINC000553096990 325676753 /nfs/dbraw/zinc/67/67/53/325676753.db2.gz MUFVYHXBJLQTJI-ZNMIVQPWSA-N 1 0 249.423 3.867 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000553133323 388749103 /nfs/dbraw/zinc/74/91/03/388749103.db2.gz DCSOBSZNJHKJFJ-KBPBESRZSA-N 1 0 249.398 3.777 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000553133324 388749664 /nfs/dbraw/zinc/74/96/64/388749664.db2.gz DCSOBSZNJHKJFJ-KGLIPLIRSA-N 1 0 249.398 3.777 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000553133325 388748792 /nfs/dbraw/zinc/74/87/92/388748792.db2.gz DCSOBSZNJHKJFJ-UONOGXRCSA-N 1 0 249.398 3.777 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000553133326 388749522 /nfs/dbraw/zinc/74/95/22/388749522.db2.gz DCSOBSZNJHKJFJ-ZIAGYGMSSA-N 1 0 249.398 3.777 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)C1CC1 ZINC000553134738 388749717 /nfs/dbraw/zinc/74/97/17/388749717.db2.gz RAUTZDUKLNICAW-CYBMUJFWSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000553134739 388749639 /nfs/dbraw/zinc/74/96/39/388749639.db2.gz RAUTZDUKLNICAW-ZDUSSCGKSA-N 1 0 217.356 3.534 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CC[C@H]1C(C)C ZINC000553165219 388750189 /nfs/dbraw/zinc/75/01/89/388750189.db2.gz PGFDXYVTVSSVQE-QBOMHBFWSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H]1C(C)C ZINC000553165220 388750609 /nfs/dbraw/zinc/75/06/09/388750609.db2.gz PGFDXYVTVSSVQE-SYCZXOQXSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]1C(C)C ZINC000553165221 388750776 /nfs/dbraw/zinc/75/07/76/388750776.db2.gz PGFDXYVTVSSVQE-UKYUDJEDSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]1C(C)C ZINC000553165222 388750696 /nfs/dbraw/zinc/75/06/96/388750696.db2.gz PGFDXYVTVSSVQE-WSYSLRRZSA-N 1 0 229.367 3.820 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)CCCOC(C)C ZINC000553179393 388751752 /nfs/dbraw/zinc/75/17/52/388751752.db2.gz APYKMLNLHPLRMB-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000553181914 388751710 /nfs/dbraw/zinc/75/17/10/388751710.db2.gz FRFMTZWHKBBDHW-AWEZNQCLSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)CC(C)C)cc1 ZINC000553181915 388751853 /nfs/dbraw/zinc/75/18/53/388751853.db2.gz FRFMTZWHKBBDHW-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000553182141 388751820 /nfs/dbraw/zinc/75/18/20/388751820.db2.gz QHVSDSRTIABRIV-CYBMUJFWSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000553182142 388751103 /nfs/dbraw/zinc/75/11/03/388751103.db2.gz QHVSDSRTIABRIV-ZDUSSCGKSA-N 1 0 219.372 3.861 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000553422190 388770064 /nfs/dbraw/zinc/77/00/64/388770064.db2.gz YCTRXOOTUAQJHV-CYBMUJFWSA-N 1 0 241.325 3.879 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000553422191 388770315 /nfs/dbraw/zinc/77/03/15/388770315.db2.gz YCTRXOOTUAQJHV-ZDUSSCGKSA-N 1 0 241.325 3.879 20 0 BHADRO CC1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000553433992 388770527 /nfs/dbraw/zinc/77/05/27/388770527.db2.gz BVFVLGRYZOVLCV-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CC(C)C(C)(C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000553434036 388770472 /nfs/dbraw/zinc/77/04/72/388770472.db2.gz FKDKXOSWTMCCSZ-AATRIKPKSA-N 1 0 235.346 3.863 20 0 BHADRO CC(C)C(C)(C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000553434037 388770014 /nfs/dbraw/zinc/77/00/14/388770014.db2.gz FKDKXOSWTMCCSZ-WAYWQWQTSA-N 1 0 235.346 3.863 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000553463958 325692807 /nfs/dbraw/zinc/69/28/07/325692807.db2.gz ZDLKCMVKZKKNPU-BHYGNILZSA-N 1 0 241.378 3.736 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000553463959 388775402 /nfs/dbraw/zinc/77/54/02/388775402.db2.gz ZDLKCMVKZKKNPU-UAGQMJEPSA-N 1 0 241.378 3.736 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000553463960 388775088 /nfs/dbraw/zinc/77/50/88/388775088.db2.gz ZDLKCMVKZKKNPU-USXIJHARSA-N 1 0 241.378 3.736 20 0 BHADRO Cc1ccc2oc(C[NH2+]C3CC(C)C3)cc2c1 ZINC000553495617 388778455 /nfs/dbraw/zinc/77/84/55/388778455.db2.gz HPIFZDCYNZGGNM-UHFFFAOYSA-N 1 0 229.323 3.629 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000553500071 388778480 /nfs/dbraw/zinc/77/84/80/388778480.db2.gz PAXJGEVYEAYLDW-OAGGEKHMSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000553500072 388778097 /nfs/dbraw/zinc/77/80/97/388778097.db2.gz PAXJGEVYEAYLDW-PMPSAXMXSA-N 1 0 229.367 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000553500073 388778969 /nfs/dbraw/zinc/77/89/69/388778969.db2.gz PAXJGEVYEAYLDW-XHSDSOJGSA-N 1 0 229.367 3.520 20 0 BHADRO CCC(CC)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000553515034 388780248 /nfs/dbraw/zinc/78/02/48/388780248.db2.gz DZPRRTFYMRSVSE-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000553539466 388781732 /nfs/dbraw/zinc/78/17/32/388781732.db2.gz QPNAQMTWVUQNQK-GUTXKFCHSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000553539468 325695524 /nfs/dbraw/zinc/69/55/24/325695524.db2.gz QPNAQMTWVUQNQK-GZBFAFLISA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000553539469 388780673 /nfs/dbraw/zinc/78/06/73/388780673.db2.gz QPNAQMTWVUQNQK-NFAWXSAZSA-N 1 0 235.371 3.769 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000553539471 325695622 /nfs/dbraw/zinc/69/56/22/325695622.db2.gz QPNAQMTWVUQNQK-UMVBOHGHSA-N 1 0 235.371 3.769 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000553543518 388781311 /nfs/dbraw/zinc/78/13/11/388781311.db2.gz GSAKSEOUZSQOOD-HNNXBMFYSA-N 1 0 215.340 3.617 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000553543519 388781197 /nfs/dbraw/zinc/78/11/97/388781197.db2.gz GSAKSEOUZSQOOD-OAHLLOKOSA-N 1 0 215.340 3.617 20 0 BHADRO Fc1ccc(C[N@H+](C2CC2)[C@H]2C=CCCC2)cc1 ZINC000553543758 388781053 /nfs/dbraw/zinc/78/10/53/388781053.db2.gz FDWHQONBURCTBH-HNNXBMFYSA-N 1 0 245.341 3.899 20 0 BHADRO Fc1ccc(C[N@H+](C2CC2)[C@@H]2C=CCCC2)cc1 ZINC000553543760 388780961 /nfs/dbraw/zinc/78/09/61/388780961.db2.gz FDWHQONBURCTBH-OAHLLOKOSA-N 1 0 245.341 3.899 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000553562602 325696128 /nfs/dbraw/zinc/69/61/28/325696128.db2.gz FFYSVAVLMNTMIX-CABCVRRESA-N 1 0 249.423 3.794 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000553562604 388783626 /nfs/dbraw/zinc/78/36/26/388783626.db2.gz FFYSVAVLMNTMIX-GJZGRUSLSA-N 1 0 249.423 3.794 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000553562605 325695973 /nfs/dbraw/zinc/69/59/73/325695973.db2.gz FFYSVAVLMNTMIX-HUUCEWRRSA-N 1 0 249.423 3.794 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000553562606 325696009 /nfs/dbraw/zinc/69/60/09/325696009.db2.gz FFYSVAVLMNTMIX-LSDHHAIUSA-N 1 0 249.423 3.794 20 0 BHADRO COc1ccc(C[NH2+]C2CCCCCC2)c(C)c1 ZINC000553579499 490193875 /nfs/dbraw/zinc/19/38/75/490193875.db2.gz HOXDQWXHZSAVQW-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1F)[C@H](C)C(C)C ZINC000553640204 388784593 /nfs/dbraw/zinc/78/45/93/388784593.db2.gz QGYVBZKCGMYLGP-LLVKDONJSA-N 1 0 241.325 3.831 20 0 BHADRO CC[N@H+](Cc1cc(F)ccc1F)[C@@H](C)C(C)C ZINC000553640205 388784994 /nfs/dbraw/zinc/78/49/94/388784994.db2.gz QGYVBZKCGMYLGP-NSHDSACASA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000553737690 325698760 /nfs/dbraw/zinc/69/87/60/325698760.db2.gz PZZRHKRBCSBTTQ-GXTWGEPZSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000553737691 325698845 /nfs/dbraw/zinc/69/88/45/325698845.db2.gz PZZRHKRBCSBTTQ-JSGCOSHPSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000553737692 325698786 /nfs/dbraw/zinc/69/87/86/325698786.db2.gz PZZRHKRBCSBTTQ-OCCSQVGLSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000553737693 325698714 /nfs/dbraw/zinc/69/87/14/325698714.db2.gz PZZRHKRBCSBTTQ-TZMCWYRMSA-N 1 0 235.371 3.769 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000553789708 325699516 /nfs/dbraw/zinc/69/95/16/325699516.db2.gz BDMFPPYOBDKMQH-CXAGYDPISA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000553789709 325699398 /nfs/dbraw/zinc/69/93/98/325699398.db2.gz BDMFPPYOBDKMQH-DYVFJYSZSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000553789710 325699437 /nfs/dbraw/zinc/69/94/37/325699437.db2.gz BDMFPPYOBDKMQH-GUYCJALGSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000553789711 325699427 /nfs/dbraw/zinc/69/94/27/325699427.db2.gz BDMFPPYOBDKMQH-SUMWQHHRSA-N 1 0 243.394 3.570 20 0 BHADRO CCC[N@@H+](Cc1cc(F)ccc1F)CC(C)C ZINC000553828659 388791033 /nfs/dbraw/zinc/79/10/33/388791033.db2.gz JLQPDMDDWAVAQM-UHFFFAOYSA-N 1 0 241.325 3.833 20 0 BHADRO CCC[N@H+](Cc1ccc(F)c(F)c1)C(C)C ZINC000553837207 388790867 /nfs/dbraw/zinc/79/08/67/388790867.db2.gz XRRRXMCFGPOPQZ-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO Cc1ccc2oc(C[NH2+]CC3(C)CC3)cc2c1 ZINC000553857510 325700426 /nfs/dbraw/zinc/70/04/26/325700426.db2.gz VVOHPJWGBKXZBC-UHFFFAOYSA-N 1 0 229.323 3.631 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1Cc2ccccc21)C(C)C ZINC000553863976 388792351 /nfs/dbraw/zinc/79/23/51/388792351.db2.gz LDZKQJYOSXFLEZ-HNNXBMFYSA-N 1 0 231.383 3.693 20 0 BHADRO CC(C)C[N@H+](C[C@H]1Cc2ccccc21)C(C)C ZINC000553863977 388792796 /nfs/dbraw/zinc/79/27/96/388792796.db2.gz LDZKQJYOSXFLEZ-OAHLLOKOSA-N 1 0 231.383 3.693 20 0 BHADRO CCC[N@H+](CCc1ccccc1F)CC(C)C ZINC000553881455 388793502 /nfs/dbraw/zinc/79/35/02/388793502.db2.gz XCNXRUJBDPDBHP-UHFFFAOYSA-N 1 0 237.362 3.736 20 0 BHADRO CC(C)C[N@H+](CCOC1CCC1)CC(C)(C)C ZINC000553884434 388793273 /nfs/dbraw/zinc/79/32/73/388793273.db2.gz ZDIAYIALKXPWDX-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000553884590 388793218 /nfs/dbraw/zinc/79/32/18/388793218.db2.gz IJAVXMXCSXYACV-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000553884591 388792568 /nfs/dbraw/zinc/79/25/68/388792568.db2.gz IJAVXMXCSXYACV-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C)cc1OC ZINC000553904654 325701058 /nfs/dbraw/zinc/70/10/58/325701058.db2.gz DYHKUXNLARMZSL-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CCCC[C@H]([NH2+]CCOC1CCC1)C1CCC1 ZINC000553918732 388795141 /nfs/dbraw/zinc/79/51/41/388795141.db2.gz KPWZVKQFWDXGMD-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]CCOC1CCC1)C1CCC1 ZINC000553918733 388794613 /nfs/dbraw/zinc/79/46/13/388794613.db2.gz KPWZVKQFWDXGMD-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO COc1ccc(C[NH2+]C2CCC(C)CC2)c(C)c1 ZINC000553920014 490194411 /nfs/dbraw/zinc/19/44/11/490194411.db2.gz WWJRWSYJXPZYHM-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CCCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000553987962 388796607 /nfs/dbraw/zinc/79/66/07/388796607.db2.gz UIIIZLYPRCHKJC-AWEZNQCLSA-N 1 0 235.371 3.878 20 0 BHADRO CCCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000553987963 388796544 /nfs/dbraw/zinc/79/65/44/388796544.db2.gz UIIIZLYPRCHKJC-CQSZACIVSA-N 1 0 235.371 3.878 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000553988974 388796600 /nfs/dbraw/zinc/79/66/00/388796600.db2.gz JTDSZGUONJHTES-GDBMZVCRSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000553988975 388796913 /nfs/dbraw/zinc/79/69/13/388796913.db2.gz JTDSZGUONJHTES-GOEBONIOSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@H](C)OC)c1ccccc1 ZINC000553988976 388795902 /nfs/dbraw/zinc/79/59/02/388795902.db2.gz JTDSZGUONJHTES-HOCLYGCPSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@@H](C)OC)c1ccccc1 ZINC000553988977 325702059 /nfs/dbraw/zinc/70/20/59/325702059.db2.gz JTDSZGUONJHTES-ZBFHGGJFSA-N 1 0 249.398 3.585 20 0 BHADRO COCCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000553990955 388795967 /nfs/dbraw/zinc/79/59/67/388795967.db2.gz BICIYMGPSROGIC-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000553990956 388796812 /nfs/dbraw/zinc/79/68/12/388796812.db2.gz BICIYMGPSROGIC-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000553990957 388796325 /nfs/dbraw/zinc/79/63/25/388796325.db2.gz BICIYMGPSROGIC-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO COCCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000553990958 388796728 /nfs/dbraw/zinc/79/67/28/388796728.db2.gz BICIYMGPSROGIC-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCC1CC1 ZINC000553991865 388796459 /nfs/dbraw/zinc/79/64/59/388796459.db2.gz HJFZNQRQDHSHSR-HNNXBMFYSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)CCC1CC1 ZINC000553991869 388796775 /nfs/dbraw/zinc/79/67/75/388796775.db2.gz HJFZNQRQDHSHSR-OAHLLOKOSA-N 1 0 247.382 3.878 20 0 BHADRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCCF ZINC000553992288 388796242 /nfs/dbraw/zinc/79/62/42/388796242.db2.gz QXOSGMJGHJORPI-CHWSQXEVSA-N 1 0 229.383 3.883 20 0 BHADRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCCF ZINC000553992289 388796624 /nfs/dbraw/zinc/79/66/24/388796624.db2.gz QXOSGMJGHJORPI-OLZOCXBDSA-N 1 0 229.383 3.883 20 0 BHADRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCCF ZINC000553992290 388795689 /nfs/dbraw/zinc/79/56/89/388795689.db2.gz QXOSGMJGHJORPI-QWHCGFSZSA-N 1 0 229.383 3.883 20 0 BHADRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCCF ZINC000553992291 388795771 /nfs/dbraw/zinc/79/57/71/388795771.db2.gz QXOSGMJGHJORPI-STQMWFEESA-N 1 0 229.383 3.883 20 0 BHADRO CC1(C)C[N@H+](CC2CC2)[C@@H]1c1cccs1 ZINC000553992342 388796018 /nfs/dbraw/zinc/79/60/18/388796018.db2.gz SFKJZKHHGJRNNV-GFCCVEGCSA-N 1 0 221.369 3.541 20 0 BHADRO CC1(C)C[N@H+](CC2CC2)[C@H]1c1cccs1 ZINC000553992349 388796116 /nfs/dbraw/zinc/79/61/16/388796116.db2.gz SFKJZKHHGJRNNV-LBPRGKRZSA-N 1 0 221.369 3.541 20 0 BHADRO CC1(C)C[N@H+](CC2CCC2)[C@@H]1c1cccs1 ZINC000553992610 388796127 /nfs/dbraw/zinc/79/61/27/388796127.db2.gz MXHAVYXDFVKIJW-CYBMUJFWSA-N 1 0 235.396 3.931 20 0 BHADRO CC1(C)C[N@H+](CC2CCC2)[C@H]1c1cccs1 ZINC000553992611 388795779 /nfs/dbraw/zinc/79/57/79/388795779.db2.gz MXHAVYXDFVKIJW-ZDUSSCGKSA-N 1 0 235.396 3.931 20 0 BHADRO CC[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553992915 388796068 /nfs/dbraw/zinc/79/60/68/388796068.db2.gz PRLRJVGBVKOVOJ-CMPLNLGQSA-N 1 0 223.385 3.930 20 0 BHADRO CC[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992917 388796152 /nfs/dbraw/zinc/79/61/52/388796152.db2.gz PRLRJVGBVKOVOJ-JQWIXIFHSA-N 1 0 223.385 3.930 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992918 388796904 /nfs/dbraw/zinc/79/69/04/388796904.db2.gz PRLRJVGBVKOVOJ-PWSUYJOCSA-N 1 0 223.385 3.930 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553992919 388796684 /nfs/dbraw/zinc/79/66/84/388796684.db2.gz PRLRJVGBVKOVOJ-ZYHUDNBSSA-N 1 0 223.385 3.930 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000554044155 388796539 /nfs/dbraw/zinc/79/65/39/388796539.db2.gz CKSPPJXJJIUEPR-JMSVASOKSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000554044156 388797729 /nfs/dbraw/zinc/79/77/29/388797729.db2.gz CKSPPJXJJIUEPR-LALPHHSUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000554044157 325703161 /nfs/dbraw/zinc/70/31/61/325703161.db2.gz CKSPPJXJJIUEPR-YWPYICTPSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000554044158 388798134 /nfs/dbraw/zinc/79/81/34/388798134.db2.gz CKSPPJXJJIUEPR-ZOWXZIJZSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000554047414 388797554 /nfs/dbraw/zinc/79/75/54/388797554.db2.gz NBHXFJVSMNAJHA-DZGCQCFKSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000554047415 388797482 /nfs/dbraw/zinc/79/74/82/388797482.db2.gz NBHXFJVSMNAJHA-HIFRSBDPSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000554047416 325703171 /nfs/dbraw/zinc/70/31/71/325703171.db2.gz NBHXFJVSMNAJHA-UKRRQHHQSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000554047417 325703076 /nfs/dbraw/zinc/70/30/76/325703076.db2.gz NBHXFJVSMNAJHA-ZFWWWQNUSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000554047657 325703059 /nfs/dbraw/zinc/70/30/59/325703059.db2.gz PMFYVVZANJZULI-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000554047658 388798105 /nfs/dbraw/zinc/79/81/05/388798105.db2.gz PMFYVVZANJZULI-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000554047660 388798417 /nfs/dbraw/zinc/79/84/17/388798417.db2.gz PMFYVVZANJZULI-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000554047661 388797712 /nfs/dbraw/zinc/79/77/12/388797712.db2.gz PMFYVVZANJZULI-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000554048138 325703067 /nfs/dbraw/zinc/70/30/67/325703067.db2.gz NFGQQZXFVUOHNO-HFBAOOFYSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000554048139 325703238 /nfs/dbraw/zinc/70/32/38/325703238.db2.gz NFGQQZXFVUOHNO-LYRGGWFBSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000554048140 325703288 /nfs/dbraw/zinc/70/32/88/325703288.db2.gz NFGQQZXFVUOHNO-RLCCDNCMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000554048141 325703316 /nfs/dbraw/zinc/70/33/16/325703316.db2.gz NFGQQZXFVUOHNO-XFBWCDHKSA-N 1 0 247.357 3.707 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000554048904 388797310 /nfs/dbraw/zinc/79/73/10/388797310.db2.gz DVAHSNFGADROFM-CABCVRRESA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000554048905 388798070 /nfs/dbraw/zinc/79/80/70/388798070.db2.gz DVAHSNFGADROFM-GJZGRUSLSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000554048906 388798433 /nfs/dbraw/zinc/79/84/33/388798433.db2.gz DVAHSNFGADROFM-HUUCEWRRSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000554048907 384051351 /nfs/dbraw/zinc/05/13/51/384051351.db2.gz DVAHSNFGADROFM-LSDHHAIUSA-N 1 0 249.373 3.783 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000554049181 388797327 /nfs/dbraw/zinc/79/73/27/388797327.db2.gz LWXDCFZGLPVVMZ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000554049182 325703753 /nfs/dbraw/zinc/70/37/53/325703753.db2.gz LWXDCFZGLPVVMZ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000554049183 325703783 /nfs/dbraw/zinc/70/37/83/325703783.db2.gz LWXDCFZGLPVVMZ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000554049184 388797561 /nfs/dbraw/zinc/79/75/61/388797561.db2.gz LWXDCFZGLPVVMZ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1c(F)cccc1F ZINC000554049785 325703675 /nfs/dbraw/zinc/70/36/75/325703675.db2.gz BUAHLBRHYBUDFA-BREBYQMCSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1c(F)cccc1F ZINC000554049786 388798409 /nfs/dbraw/zinc/79/84/09/388798409.db2.gz BUAHLBRHYBUDFA-CWSCBRNRSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1c(F)cccc1F ZINC000554049787 388797959 /nfs/dbraw/zinc/79/79/59/388797959.db2.gz BUAHLBRHYBUDFA-GIPNMCIBSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1F ZINC000554049788 388798442 /nfs/dbraw/zinc/79/84/42/388798442.db2.gz BUAHLBRHYBUDFA-OPQQBVKSSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000554049842 388798273 /nfs/dbraw/zinc/79/82/73/388798273.db2.gz WJUCRZDOAIYSDO-APHBMKBZSA-N 1 0 229.367 3.834 20 0 BHADRO Clc1cccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000554049846 388797581 /nfs/dbraw/zinc/79/75/81/388797581.db2.gz DCCSJTFYVMVWED-CABCVRRESA-N 1 0 249.785 3.661 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000554049847 388797811 /nfs/dbraw/zinc/79/78/11/388797811.db2.gz WJUCRZDOAIYSDO-MAZHCROVSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000554049848 388797570 /nfs/dbraw/zinc/79/75/70/388797570.db2.gz WJUCRZDOAIYSDO-RCBQFDQVSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000554049849 325703540 /nfs/dbraw/zinc/70/35/40/325703540.db2.gz WJUCRZDOAIYSDO-VBNZEHGJSA-N 1 0 229.367 3.834 20 0 BHADRO Clc1cccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000554049853 325703639 /nfs/dbraw/zinc/70/36/39/325703639.db2.gz DCCSJTFYVMVWED-GJZGRUSLSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1cccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554049854 388797949 /nfs/dbraw/zinc/79/79/49/388797949.db2.gz DCCSJTFYVMVWED-HUUCEWRRSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1cccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000554049856 388798024 /nfs/dbraw/zinc/79/80/24/388798024.db2.gz DCCSJTFYVMVWED-LSDHHAIUSA-N 1 0 249.785 3.661 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000554049931 325703681 /nfs/dbraw/zinc/70/36/81/325703681.db2.gz YIIIVNMJEYUQOE-OXHZDVMGSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000554049933 384053168 /nfs/dbraw/zinc/05/31/68/384053168.db2.gz YIIIVNMJEYUQOE-RFHZTLPTSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000554049934 322966479 /nfs/dbraw/zinc/96/64/79/322966479.db2.gz YIIIVNMJEYUQOE-UNJBNNCHSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000554049935 384050970 /nfs/dbraw/zinc/05/09/70/384050970.db2.gz YIIIVNMJEYUQOE-XCCSTKFXSA-N 1 0 233.355 3.681 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc(C)cc1C ZINC000554050057 325703751 /nfs/dbraw/zinc/70/37/51/325703751.db2.gz ZBCNOWKONVMDCB-GDBMZVCRSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccc(C)cc1C ZINC000554050058 325703522 /nfs/dbraw/zinc/70/35/22/325703522.db2.gz ZBCNOWKONVMDCB-GOEBONIOSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc(C)cc1C ZINC000554050059 325703585 /nfs/dbraw/zinc/70/35/85/325703585.db2.gz ZBCNOWKONVMDCB-HOCLYGCPSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(C)cc1C ZINC000554050060 384051521 /nfs/dbraw/zinc/05/15/21/384051521.db2.gz ZBCNOWKONVMDCB-ZBFHGGJFSA-N 1 0 231.383 3.624 20 0 BHADRO Clc1ccccc1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554052399 325703780 /nfs/dbraw/zinc/70/37/80/325703780.db2.gz LXCLHVHKYQTFAL-DZGCQCFKSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccccc1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554052400 325703707 /nfs/dbraw/zinc/70/37/07/325703707.db2.gz LXCLHVHKYQTFAL-HIFRSBDPSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554052402 325703609 /nfs/dbraw/zinc/70/36/09/325703609.db2.gz LXCLHVHKYQTFAL-UKRRQHHQSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccccc1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554052404 388797335 /nfs/dbraw/zinc/79/73/35/388797335.db2.gz LXCLHVHKYQTFAL-ZFWWWQNUSA-N 1 0 249.785 3.661 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554052823 325703648 /nfs/dbraw/zinc/70/36/48/325703648.db2.gz SJKAZLASEDTNEH-BHYGNILZSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554052828 325703575 /nfs/dbraw/zinc/70/35/75/325703575.db2.gz SJKAZLASEDTNEH-HYVNUMGLSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554052829 325703704 /nfs/dbraw/zinc/70/37/04/325703704.db2.gz SJKAZLASEDTNEH-PVAVHDDUSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554052830 388797521 /nfs/dbraw/zinc/79/75/21/388797521.db2.gz SJKAZLASEDTNEH-XIRDDKMYSA-N 1 0 241.378 3.761 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2CC)c1 ZINC000554052952 388797276 /nfs/dbraw/zinc/79/72/76/388797276.db2.gz UMZDXEQJCGCOAJ-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2CC)c1 ZINC000554052995 325703543 /nfs/dbraw/zinc/70/35/43/325703543.db2.gz UMZDXEQJCGCOAJ-WOSRLPQWSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2CC)c1 ZINC000554052997 388797661 /nfs/dbraw/zinc/79/76/61/388797661.db2.gz UMZDXEQJCGCOAJ-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2CC)c1 ZINC000554052998 388798064 /nfs/dbraw/zinc/79/80/64/388798064.db2.gz UMZDXEQJCGCOAJ-ZENOOKHLSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000554053982 325703517 /nfs/dbraw/zinc/70/35/17/325703517.db2.gz PKBWMQVCEJUGJV-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000554053983 325703744 /nfs/dbraw/zinc/70/37/44/325703744.db2.gz PKBWMQVCEJUGJV-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000554053984 325703636 /nfs/dbraw/zinc/70/36/36/325703636.db2.gz PKBWMQVCEJUGJV-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000554053985 384056140 /nfs/dbraw/zinc/05/61/40/384056140.db2.gz PKBWMQVCEJUGJV-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554069183 388798269 /nfs/dbraw/zinc/79/82/69/388798269.db2.gz MMWTVXNOMTYSBV-BRWVUGGUSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554069184 325704844 /nfs/dbraw/zinc/70/48/44/325704844.db2.gz MMWTVXNOMTYSBV-IKGGRYGDSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554069185 388798099 /nfs/dbraw/zinc/79/80/99/388798099.db2.gz MMWTVXNOMTYSBV-IXDOHACOSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554069186 388797655 /nfs/dbraw/zinc/79/76/55/388797655.db2.gz MMWTVXNOMTYSBV-ZACQAIPSSA-N 1 0 243.394 3.786 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000554069213 388797564 /nfs/dbraw/zinc/79/75/64/388797564.db2.gz NSYHCCRTQCCIAB-DLBZAZTESA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554069214 325704851 /nfs/dbraw/zinc/70/48/51/325704851.db2.gz NSYHCCRTQCCIAB-IAGOWNOFSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000554069215 388798308 /nfs/dbraw/zinc/79/83/08/388798308.db2.gz NSYHCCRTQCCIAB-IRXDYDNUSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cc(C)cc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000554069216 388797317 /nfs/dbraw/zinc/79/73/17/388797317.db2.gz NSYHCCRTQCCIAB-SJORKVTESA-N 1 0 243.394 3.624 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Sc1ccccc1 ZINC000554069674 325704837 /nfs/dbraw/zinc/70/48/37/325704837.db2.gz SUOCQUPKEDOFGE-GUTXKFCHSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Sc1ccccc1 ZINC000554069675 388797720 /nfs/dbraw/zinc/79/77/20/388797720.db2.gz SUOCQUPKEDOFGE-GZBFAFLISA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000554069676 325704607 /nfs/dbraw/zinc/70/46/07/325704607.db2.gz SUOCQUPKEDOFGE-NFAWXSAZSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000554069677 325704521 /nfs/dbraw/zinc/70/45/21/325704521.db2.gz SUOCQUPKEDOFGE-UMVBOHGHSA-N 1 0 249.423 3.945 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000554070901 388797957 /nfs/dbraw/zinc/79/79/57/388797957.db2.gz AXNIEKMJMUUSPN-COXVUDFISA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554070902 388797717 /nfs/dbraw/zinc/79/77/17/388797717.db2.gz AXNIEKMJMUUSPN-KBRIMQKVSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000554070903 325704882 /nfs/dbraw/zinc/70/48/82/325704882.db2.gz AXNIEKMJMUUSPN-XOKHGSTOSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000554070904 388797673 /nfs/dbraw/zinc/79/76/73/388797673.db2.gz AXNIEKMJMUUSPN-XYPHTWIQSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)o1 ZINC000554071097 325704899 /nfs/dbraw/zinc/70/48/99/325704899.db2.gz GKFHFCUCRYXWGE-KBPBESRZSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)o1 ZINC000554071103 388797288 /nfs/dbraw/zinc/79/72/88/388797288.db2.gz GKFHFCUCRYXWGE-KGLIPLIRSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)o1 ZINC000554071105 388798198 /nfs/dbraw/zinc/79/81/98/388798198.db2.gz GKFHFCUCRYXWGE-UONOGXRCSA-N 1 0 235.371 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)o1 ZINC000554071107 388797882 /nfs/dbraw/zinc/79/78/82/388797882.db2.gz GKFHFCUCRYXWGE-ZIAGYGMSSA-N 1 0 235.371 3.545 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000554071690 325704888 /nfs/dbraw/zinc/70/48/88/325704888.db2.gz MMJZKVREDILXLX-GDBMZVCRSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000554071691 325704786 /nfs/dbraw/zinc/70/47/86/325704786.db2.gz MMJZKVREDILXLX-GOEBONIOSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000554071692 388797434 /nfs/dbraw/zinc/79/74/34/388797434.db2.gz MMJZKVREDILXLX-HOCLYGCPSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000554071693 325704707 /nfs/dbraw/zinc/70/47/07/325704707.db2.gz MMJZKVREDILXLX-ZBFHGGJFSA-N 1 0 247.382 3.754 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1CC ZINC000554071702 325704277 /nfs/dbraw/zinc/70/42/77/325704277.db2.gz MWPQVZQTIFMVNU-ARFHVFGLSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1CC ZINC000554071703 388797964 /nfs/dbraw/zinc/79/79/64/388797964.db2.gz MWPQVZQTIFMVNU-BZUAXINKSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1CC ZINC000554071704 325704854 /nfs/dbraw/zinc/70/48/54/325704854.db2.gz MWPQVZQTIFMVNU-OAGGEKHMSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1CC ZINC000554071705 388797805 /nfs/dbraw/zinc/79/78/05/388797805.db2.gz MWPQVZQTIFMVNU-XHSDSOJGSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000554071784 325704807 /nfs/dbraw/zinc/70/48/07/325704807.db2.gz OSADTBDSEYIGEF-AYDFFVQHSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000554071787 388798334 /nfs/dbraw/zinc/79/83/34/388798334.db2.gz OSADTBDSEYIGEF-CTASWTNQSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000554071789 325704839 /nfs/dbraw/zinc/70/48/39/325704839.db2.gz OSADTBDSEYIGEF-KQTLUZQSSA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000554071790 388797450 /nfs/dbraw/zinc/79/74/50/388797450.db2.gz OSADTBDSEYIGEF-NHIYQJMISA-N 1 0 231.383 3.957 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCOc1ccccc1C ZINC000554073582 388797907 /nfs/dbraw/zinc/79/79/07/388797907.db2.gz NMKNTBSUVNIXST-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCOc1ccccc1C ZINC000554073588 388798186 /nfs/dbraw/zinc/79/81/86/388798186.db2.gz NMKNTBSUVNIXST-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCOc1ccccc1C ZINC000554073591 388797500 /nfs/dbraw/zinc/79/75/00/388797500.db2.gz NMKNTBSUVNIXST-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCOc1ccccc1C ZINC000554073594 384181787 /nfs/dbraw/zinc/18/17/87/384181787.db2.gz NMKNTBSUVNIXST-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554083504 388799466 /nfs/dbraw/zinc/79/94/66/388799466.db2.gz UOAOZCQNPCNCLR-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554083505 388799600 /nfs/dbraw/zinc/79/96/00/388799600.db2.gz UOAOZCQNPCNCLR-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554083506 388799017 /nfs/dbraw/zinc/79/90/17/388799017.db2.gz UOAOZCQNPCNCLR-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554083507 325705192 /nfs/dbraw/zinc/70/51/92/325705192.db2.gz UOAOZCQNPCNCLR-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000554085717 325705144 /nfs/dbraw/zinc/70/51/44/325705144.db2.gz PFKHUIILWSIIPR-BPUTZDHNSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000554085718 388799251 /nfs/dbraw/zinc/79/92/51/388799251.db2.gz PFKHUIILWSIIPR-CWRNSKLLSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000554085719 388798977 /nfs/dbraw/zinc/79/89/77/388798977.db2.gz PFKHUIILWSIIPR-IMJJTQAJSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000554085720 325705477 /nfs/dbraw/zinc/70/54/77/325705477.db2.gz PFKHUIILWSIIPR-NUEKZKHPSA-N 1 0 249.373 3.796 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC1(C)C ZINC000554087259 325705054 /nfs/dbraw/zinc/70/50/54/325705054.db2.gz VJTAKFADDVBZIT-DOMZBBRYSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC1(C)C ZINC000554087260 388799240 /nfs/dbraw/zinc/79/92/40/388799240.db2.gz VJTAKFADDVBZIT-IUODEOHRSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC1(C)C ZINC000554087262 325705370 /nfs/dbraw/zinc/70/53/70/325705370.db2.gz VJTAKFADDVBZIT-SWLSCSKDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC1(C)C ZINC000554087263 388799063 /nfs/dbraw/zinc/79/90/63/388799063.db2.gz VJTAKFADDVBZIT-WFASDCNBSA-N 1 0 249.373 3.925 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](F)C2)c2ccccc21 ZINC000554087750 325705528 /nfs/dbraw/zinc/70/55/28/325705528.db2.gz DALRNJQBABEFSB-HUBLWGQQSA-N 1 0 247.357 3.889 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)c2ccccc21 ZINC000554087754 325705307 /nfs/dbraw/zinc/70/53/07/325705307.db2.gz DALRNJQBABEFSB-JMSVASOKSA-N 1 0 247.357 3.889 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)c2ccccc21 ZINC000554087758 325705251 /nfs/dbraw/zinc/70/52/51/325705251.db2.gz DALRNJQBABEFSB-XUJVJEKNSA-N 1 0 247.357 3.889 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)c2ccccc21 ZINC000554087762 388799005 /nfs/dbraw/zinc/79/90/05/388799005.db2.gz DALRNJQBABEFSB-ZOWXZIJZSA-N 1 0 247.357 3.889 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H](C)C2 ZINC000554088183 325705962 /nfs/dbraw/zinc/70/59/62/325705962.db2.gz LLANMXNXDZRXJT-ADSMDIBLSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H](C)C2 ZINC000554088184 388798998 /nfs/dbraw/zinc/79/89/98/388798998.db2.gz LLANMXNXDZRXJT-UZMCECQYSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H](C)C2 ZINC000554088185 388799516 /nfs/dbraw/zinc/79/95/16/388799516.db2.gz LLANMXNXDZRXJT-XKVFNRALSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H](C)C2 ZINC000554088186 325705739 /nfs/dbraw/zinc/70/57/39/325705739.db2.gz LLANMXNXDZRXJT-YYWXWVFPSA-N 1 0 247.357 3.709 20 0 BHADRO C/C=C/c1ccc(NC2CC[NH+](CC)CC2)cc1 ZINC000554088319 388799060 /nfs/dbraw/zinc/79/90/60/388799060.db2.gz JXVMERYKEBQESJ-HWKANZROSA-N 1 0 244.382 3.616 20 0 BHADRO C/C=C\c1ccc(NC2CC[NH+](CC)CC2)cc1 ZINC000554088320 388798881 /nfs/dbraw/zinc/79/88/81/388798881.db2.gz JXVMERYKEBQESJ-HYXAFXHYSA-N 1 0 244.382 3.616 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)cc1 ZINC000554088443 388799031 /nfs/dbraw/zinc/79/90/31/388799031.db2.gz KVMVHPVSJBKGTG-CYBMUJFWSA-N 1 0 235.346 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)cc1 ZINC000554088447 325705854 /nfs/dbraw/zinc/70/58/54/325705854.db2.gz KVMVHPVSJBKGTG-ZDUSSCGKSA-N 1 0 235.346 3.928 20 0 BHADRO C/C=C/c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000554090100 388800108 /nfs/dbraw/zinc/80/01/08/388800108.db2.gz MHTGEIQRGZLUJI-KJJZUGDZSA-N 1 0 244.382 3.614 20 0 BHADRO C/C=C/c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000554090102 388798948 /nfs/dbraw/zinc/79/89/48/388798948.db2.gz MHTGEIQRGZLUJI-LVQRLBQTSA-N 1 0 244.382 3.614 20 0 BHADRO C/C=C\c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000554090105 388799785 /nfs/dbraw/zinc/79/97/85/388799785.db2.gz MHTGEIQRGZLUJI-WAXTVWTQSA-N 1 0 244.382 3.614 20 0 BHADRO C/C=C\c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000554090106 541475068 /nfs/dbraw/zinc/47/50/68/541475068.db2.gz MHTGEIQRGZLUJI-WSXGPOFGSA-N 1 0 244.382 3.614 20 0 BHADRO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCCCC1 ZINC000554090123 388799355 /nfs/dbraw/zinc/79/93/55/388799355.db2.gz MPFUHNNWEDKZPX-BMIGLBTASA-N 1 0 249.329 3.570 20 0 BHADRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCCCC1 ZINC000554090125 388799387 /nfs/dbraw/zinc/79/93/87/388799387.db2.gz MPFUHNNWEDKZPX-BONVTDFDSA-N 1 0 249.329 3.570 20 0 BHADRO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCCCC1 ZINC000554090126 325705754 /nfs/dbraw/zinc/70/57/54/325705754.db2.gz MPFUHNNWEDKZPX-MEBBXXQBSA-N 1 0 249.329 3.570 20 0 BHADRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCCCC1 ZINC000554090127 388799340 /nfs/dbraw/zinc/79/93/40/388799340.db2.gz MPFUHNNWEDKZPX-ZUZCIYMTSA-N 1 0 249.329 3.570 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000554090651 325705745 /nfs/dbraw/zinc/70/57/45/325705745.db2.gz WCDUKSLLSJLURH-BFVZDQMLSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000554090652 325705761 /nfs/dbraw/zinc/70/57/61/325705761.db2.gz WCDUKSLLSJLURH-BHDSKKPTSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000554090653 325705777 /nfs/dbraw/zinc/70/57/77/325705777.db2.gz WCDUKSLLSJLURH-GPCCPHFNSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000554090654 388800141 /nfs/dbraw/zinc/80/01/41/388800141.db2.gz WCDUKSLLSJLURH-IMSIIYSGSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000554090655 388798986 /nfs/dbraw/zinc/79/89/86/388798986.db2.gz WCDUKSLLSJLURH-ISTVAULSSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000554090656 388799583 /nfs/dbraw/zinc/79/95/83/388799583.db2.gz WCDUKSLLSJLURH-PKFCDNJMSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000554090657 388800127 /nfs/dbraw/zinc/80/01/27/388800127.db2.gz WCDUKSLLSJLURH-RBZYPMLTSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000554090658 388799839 /nfs/dbraw/zinc/79/98/39/388799839.db2.gz WCDUKSLLSJLURH-RULNRJAQSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554091149 325705981 /nfs/dbraw/zinc/70/59/81/325705981.db2.gz DLRBKHKFNLECLY-IPALMDDQSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554091150 325705941 /nfs/dbraw/zinc/70/59/41/325705941.db2.gz DLRBKHKFNLECLY-MDNXKNQGSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554091151 325705769 /nfs/dbraw/zinc/70/57/69/325705769.db2.gz DLRBKHKFNLECLY-QQDQCYIDSA-N 1 0 241.378 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554091252 325705966 /nfs/dbraw/zinc/70/59/66/325705966.db2.gz DLRBKHKFNLECLY-RNCIANSQSA-N 1 0 241.378 3.698 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554091268 388799542 /nfs/dbraw/zinc/79/95/42/388799542.db2.gz DVOLEIVSQVGCLW-LUKYLMHMSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554091269 325705822 /nfs/dbraw/zinc/70/58/22/325705822.db2.gz DVOLEIVSQVGCLW-QAETUUGQSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554091270 388799691 /nfs/dbraw/zinc/79/96/91/388799691.db2.gz DVOLEIVSQVGCLW-QBPKDAKJSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554091271 388799037 /nfs/dbraw/zinc/79/90/37/388799037.db2.gz DVOLEIVSQVGCLW-VQHPVUNQSA-N 1 0 241.378 3.711 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC[C@@H](F)C3)C2)cc1 ZINC000554091495 384304381 /nfs/dbraw/zinc/30/43/81/384304381.db2.gz HADLQLIVDDGBHN-FYRZTWFESA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC[C@@H](F)C3)C2)cc1 ZINC000554091500 384304685 /nfs/dbraw/zinc/30/46/85/384304685.db2.gz HADLQLIVDDGBHN-LVDPKSTMSA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CC[C@H](F)C3)C2)cc1 ZINC000554091502 322971817 /nfs/dbraw/zinc/97/18/17/322971817.db2.gz HADLQLIVDDGBHN-PWUWZPNHSA-N 1 0 247.357 3.721 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CC[C@H](F)C3)C2)cc1 ZINC000554091505 384304023 /nfs/dbraw/zinc/30/40/23/384304023.db2.gz HADLQLIVDDGBHN-PYBGIAKNSA-N 1 0 247.357 3.721 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1c(C)cccc1C ZINC000554092009 388799710 /nfs/dbraw/zinc/79/97/10/388799710.db2.gz MBUSVIRHBJFYPO-GDBMZVCRSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1c(C)cccc1C ZINC000554092011 388799563 /nfs/dbraw/zinc/79/95/63/388799563.db2.gz MBUSVIRHBJFYPO-GOEBONIOSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1c(C)cccc1C ZINC000554092012 388798944 /nfs/dbraw/zinc/79/89/44/388798944.db2.gz MBUSVIRHBJFYPO-HOCLYGCPSA-N 1 0 231.383 3.624 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1c(C)cccc1C ZINC000554092015 388799969 /nfs/dbraw/zinc/79/99/69/388799969.db2.gz MBUSVIRHBJFYPO-ZBFHGGJFSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H](C)c1ccccc1 ZINC000554093205 325706663 /nfs/dbraw/zinc/70/66/63/325706663.db2.gz XAFAHVKMIQTZGW-AYRXBEOTSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000554093206 388799101 /nfs/dbraw/zinc/79/91/01/388799101.db2.gz XAFAHVKMIQTZGW-DDHJSBNISA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000554093207 388798860 /nfs/dbraw/zinc/79/88/60/388798860.db2.gz XAFAHVKMIQTZGW-NZBPQXDJSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H](C)c1ccccc1 ZINC000554093208 325706548 /nfs/dbraw/zinc/70/65/48/325706548.db2.gz XAFAHVKMIQTZGW-PAPYEOQZSA-N 1 0 235.346 3.659 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554094451 325706603 /nfs/dbraw/zinc/70/66/03/325706603.db2.gz FWQSTWYKGKMPQX-CPBWPMLKSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554094452 388799529 /nfs/dbraw/zinc/79/95/29/388799529.db2.gz FWQSTWYKGKMPQX-UMAGBFNSSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554094453 388799595 /nfs/dbraw/zinc/79/95/95/388799595.db2.gz FWQSTWYKGKMPQX-VLVHBFOGSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554094454 388799316 /nfs/dbraw/zinc/79/93/16/388799316.db2.gz FWQSTWYKGKMPQX-VVBDHPJYSA-N 1 0 243.394 3.958 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000554095465 325706674 /nfs/dbraw/zinc/70/66/74/325706674.db2.gz PGKKDOLOUJQNNY-FXUDXRNXSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000554095471 388799002 /nfs/dbraw/zinc/79/90/02/388799002.db2.gz PGKKDOLOUJQNNY-QKPAOTATSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000554095473 325706551 /nfs/dbraw/zinc/70/65/51/325706551.db2.gz PGKKDOLOUJQNNY-QXSJWSMHSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000554095475 388799804 /nfs/dbraw/zinc/79/98/04/388799804.db2.gz PGKKDOLOUJQNNY-UGUYLWEFSA-N 1 0 247.357 3.803 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCC1(C)C ZINC000554095542 325706324 /nfs/dbraw/zinc/70/63/24/325706324.db2.gz GIYCPDSIMFYKTO-DOMZBBRYSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCC1(C)C ZINC000554095545 325706286 /nfs/dbraw/zinc/70/62/86/325706286.db2.gz GIYCPDSIMFYKTO-IUODEOHRSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCC1(C)C ZINC000554095547 388799750 /nfs/dbraw/zinc/79/97/50/388799750.db2.gz GIYCPDSIMFYKTO-SWLSCSKDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCC1(C)C ZINC000554095550 388799497 /nfs/dbraw/zinc/79/94/97/388799497.db2.gz GIYCPDSIMFYKTO-WFASDCNBSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000554095622 388798915 /nfs/dbraw/zinc/79/89/15/388798915.db2.gz RNCWFBUDWYRJBQ-AAEUAGOBSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000554095624 325706359 /nfs/dbraw/zinc/70/63/59/325706359.db2.gz RNCWFBUDWYRJBQ-DGCLKSJQSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000554095626 388799235 /nfs/dbraw/zinc/79/92/35/388799235.db2.gz RNCWFBUDWYRJBQ-WCQYABFASA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000554095628 388799481 /nfs/dbraw/zinc/79/94/81/388799481.db2.gz RNCWFBUDWYRJBQ-YPMHNXCESA-N 1 0 239.309 3.902 20 0 BHADRO c1ccc(CC2([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554096468 388798927 /nfs/dbraw/zinc/79/89/27/388798927.db2.gz MCWALDSJHLMHDC-CVEARBPZSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(CC2([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554096469 388800025 /nfs/dbraw/zinc/80/00/25/388800025.db2.gz MCWALDSJHLMHDC-HOTGVXAUSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(CC2([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554096471 325707195 /nfs/dbraw/zinc/70/71/95/325707195.db2.gz MCWALDSJHLMHDC-HZPDHXFCSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(CC2([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554096473 388798922 /nfs/dbraw/zinc/79/89/22/388798922.db2.gz MCWALDSJHLMHDC-JKSUJKDBSA-N 1 0 241.378 3.540 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H](C)C1CCCCC1 ZINC000554097490 388800973 /nfs/dbraw/zinc/80/09/73/388800973.db2.gz ZPZSHLQSFANGLX-AAXDQBDMSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@H](C)C1CCCCC1 ZINC000554097492 325707131 /nfs/dbraw/zinc/70/71/31/325707131.db2.gz ZPZSHLQSFANGLX-LFSVMHDDSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCC1 ZINC000554097493 325707063 /nfs/dbraw/zinc/70/70/63/325707063.db2.gz ZPZSHLQSFANGLX-UKJIMTQDSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H](C)C1CCCCC1 ZINC000554097494 325707173 /nfs/dbraw/zinc/70/71/73/325707173.db2.gz ZPZSHLQSFANGLX-URBCHYCLSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(F)c1F ZINC000554110371 388800979 /nfs/dbraw/zinc/80/09/79/388800979.db2.gz JPWROGDZBXKCQM-BREBYQMCSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(F)c1F ZINC000554110373 325706993 /nfs/dbraw/zinc/70/69/93/325706993.db2.gz JPWROGDZBXKCQM-CWSCBRNRSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(F)c1F ZINC000554110374 325707185 /nfs/dbraw/zinc/70/71/85/325707185.db2.gz JPWROGDZBXKCQM-GIPNMCIBSA-N 1 0 239.309 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1F ZINC000554110375 325707022 /nfs/dbraw/zinc/70/70/22/325707022.db2.gz JPWROGDZBXKCQM-OPQQBVKSSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccccc1 ZINC000554119372 388801024 /nfs/dbraw/zinc/80/10/24/388801024.db2.gz XJBWRSWVWIFNCO-GCVQQVDUSA-N 1 0 243.272 3.678 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccccc1 ZINC000554119374 388801927 /nfs/dbraw/zinc/80/19/27/388801927.db2.gz XJBWRSWVWIFNCO-OIKLOGQESA-N 1 0 243.272 3.678 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000554119429 388801377 /nfs/dbraw/zinc/80/13/77/388801377.db2.gz YPBUXYJFWSQQBI-GCVQQVDUSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000554119430 388801417 /nfs/dbraw/zinc/80/14/17/388801417.db2.gz YPBUXYJFWSQQBI-OIKLOGQESA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000554139947 384408652 /nfs/dbraw/zinc/40/86/52/384408652.db2.gz RSIOCWCLZZJENG-HCWSGVFWSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000554139948 384407083 /nfs/dbraw/zinc/40/70/83/384407083.db2.gz RSIOCWCLZZJENG-KIDURHIOSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000554139949 384407998 /nfs/dbraw/zinc/40/79/98/384407998.db2.gz RSIOCWCLZZJENG-MMVSWEMESA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000554139950 384407217 /nfs/dbraw/zinc/40/72/17/384407217.db2.gz RSIOCWCLZZJENG-QQFIATSDSA-N 1 0 249.320 3.742 20 0 BHADRO CCC[N@H+](Cc1ccccc1C)C(C)C ZINC000554181168 388802932 /nfs/dbraw/zinc/80/29/32/388802932.db2.gz RMPODLXREHDFLV-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1C)CC(C)C ZINC000554185196 388803518 /nfs/dbraw/zinc/80/35/18/388803518.db2.gz HGEVZUMSHVKXPT-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CCC[N@H+](Cc1ccc(CC)cc1)C(C)C ZINC000554185701 388803024 /nfs/dbraw/zinc/80/30/24/388803024.db2.gz VTZLWOGOEFRWBO-UHFFFAOYSA-N 1 0 219.372 3.869 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC000554196345 388803608 /nfs/dbraw/zinc/80/36/08/388803608.db2.gz OBAHODJLRFZXSL-CYBMUJFWSA-N 1 0 205.345 3.615 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccccc1C ZINC000554196346 388803541 /nfs/dbraw/zinc/80/35/41/388803541.db2.gz OBAHODJLRFZXSL-ZDUSSCGKSA-N 1 0 205.345 3.615 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000554198204 388803766 /nfs/dbraw/zinc/80/37/66/388803766.db2.gz UTJUIKGSCTXIEP-DZGCQCFKSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000554198205 325709458 /nfs/dbraw/zinc/70/94/58/325709458.db2.gz UTJUIKGSCTXIEP-HIFRSBDPSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000554198206 325709421 /nfs/dbraw/zinc/70/94/21/325709421.db2.gz UTJUIKGSCTXIEP-UKRRQHHQSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000554198207 325709316 /nfs/dbraw/zinc/70/93/16/325709316.db2.gz UTJUIKGSCTXIEP-ZFWWWQNUSA-N 1 0 229.367 3.844 20 0 BHADRO CC(C)[N@H+](CCOC1CCC1)C1CCCCC1 ZINC000554241199 388805810 /nfs/dbraw/zinc/80/58/10/388805810.db2.gz FJDVCPYTVCJDQH-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO Cc1cccc(C)c1[C@H](C)[NH2+]CCOC1CCC1 ZINC000554270050 388807646 /nfs/dbraw/zinc/80/76/46/388807646.db2.gz NQVAVOBVBKQVNT-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCOC1CCC1 ZINC000554270051 388807733 /nfs/dbraw/zinc/80/77/33/388807733.db2.gz NQVAVOBVBKQVNT-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO CC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000554278170 388807785 /nfs/dbraw/zinc/80/77/85/388807785.db2.gz XCAQCDPZZUWIKL-JTQLQIEISA-N 1 0 245.288 3.588 20 0 BHADRO CC[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000554278171 388806317 /nfs/dbraw/zinc/80/63/17/388806317.db2.gz XCAQCDPZZUWIKL-SNVBAGLBSA-N 1 0 245.288 3.588 20 0 BHADRO CC(C)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305714 388808855 /nfs/dbraw/zinc/80/88/55/388808855.db2.gz NPLJBVLSDQMWRS-UHFFFAOYSA-N 1 0 242.366 3.503 20 0 BHADRO CC[C@H](C)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000554308372 388808445 /nfs/dbraw/zinc/80/84/45/388808445.db2.gz WLDPDHYZZMDNGG-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000554308373 388809026 /nfs/dbraw/zinc/80/90/26/388809026.db2.gz WLDPDHYZZMDNGG-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(C)C ZINC000554309493 388808923 /nfs/dbraw/zinc/80/89/23/388808923.db2.gz RXSRCLSGKORHIH-AWEZNQCLSA-N 1 0 235.371 3.734 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)CC(C)C ZINC000554309494 388808468 /nfs/dbraw/zinc/80/84/68/388808468.db2.gz RXSRCLSGKORHIH-CQSZACIVSA-N 1 0 235.371 3.734 20 0 BHADRO CCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554310283 388809435 /nfs/dbraw/zinc/80/94/35/388809435.db2.gz LSEPUCZHGZLHMI-LLVKDONJSA-N 1 0 209.358 3.541 20 0 BHADRO CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310285 388809383 /nfs/dbraw/zinc/80/93/83/388809383.db2.gz LSEPUCZHGZLHMI-NSHDSACASA-N 1 0 209.358 3.541 20 0 BHADRO CC1(C)C[N@H+](C2CCC2)[C@@H]1c1cccs1 ZINC000554310424 388809181 /nfs/dbraw/zinc/80/91/81/388809181.db2.gz LODVFEKKSLIVJZ-GFCCVEGCSA-N 1 0 221.369 3.684 20 0 BHADRO CC1(C)C[N@H+](C2CCC2)[C@H]1c1cccs1 ZINC000554310425 388808339 /nfs/dbraw/zinc/80/83/39/388808339.db2.gz LODVFEKKSLIVJZ-LBPRGKRZSA-N 1 0 221.369 3.684 20 0 BHADRO CC[C@@H](c1ccccc1OC)[N@H+](C)CC1CCC1 ZINC000554310866 388809115 /nfs/dbraw/zinc/80/91/15/388809115.db2.gz STSQKJOPWYXJHE-HNNXBMFYSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)CC1CCC1 ZINC000554310868 388808352 /nfs/dbraw/zinc/80/83/52/388808352.db2.gz STSQKJOPWYXJHE-OAHLLOKOSA-N 1 0 247.382 3.878 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(Cl)cn1)C(C)C ZINC000554316525 388808196 /nfs/dbraw/zinc/80/81/96/388808196.db2.gz IGPRPEBORPGDKI-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C2CC2)cc1 ZINC000554345739 325715103 /nfs/dbraw/zinc/71/51/03/325715103.db2.gz PSVBFTJNFGBLOQ-BBWFWOEESA-N 1 0 241.378 3.916 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C2CC2)cc1 ZINC000554345740 322972761 /nfs/dbraw/zinc/97/27/61/322972761.db2.gz PSVBFTJNFGBLOQ-IKGGRYGDSA-N 1 0 241.378 3.916 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C2CC2)cc1 ZINC000554345741 384566301 /nfs/dbraw/zinc/56/63/01/384566301.db2.gz PSVBFTJNFGBLOQ-ULQDDVLXSA-N 1 0 241.378 3.916 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C2CC2)cc1 ZINC000554345742 384563800 /nfs/dbraw/zinc/56/38/00/384563800.db2.gz PSVBFTJNFGBLOQ-ZACQAIPSSA-N 1 0 241.378 3.916 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554345955 325715065 /nfs/dbraw/zinc/71/50/65/325715065.db2.gz RMJGPNOJWBJLRC-IUIKQTSFSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000554345956 325715159 /nfs/dbraw/zinc/71/51/59/325715159.db2.gz RMJGPNOJWBJLRC-KNXALSJPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000554345958 388810821 /nfs/dbraw/zinc/81/08/21/388810821.db2.gz RMJGPNOJWBJLRC-UVBJJODRSA-N 1 0 245.366 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000554345960 388810291 /nfs/dbraw/zinc/81/02/91/388810291.db2.gz RMJGPNOJWBJLRC-XZJROXQQSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000554346938 388810255 /nfs/dbraw/zinc/81/02/55/388810255.db2.gz KPPGVQXXRBRZOY-CABCVRRESA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000554346939 388810800 /nfs/dbraw/zinc/81/08/00/388810800.db2.gz KPPGVQXXRBRZOY-GJZGRUSLSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1 ZINC000554346940 325715070 /nfs/dbraw/zinc/71/50/70/325715070.db2.gz KPPGVQXXRBRZOY-HUUCEWRRSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1ccccc1 ZINC000554346941 388810489 /nfs/dbraw/zinc/81/04/89/388810489.db2.gz KPPGVQXXRBRZOY-LSDHHAIUSA-N 1 0 231.383 3.643 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554347081 325715199 /nfs/dbraw/zinc/71/51/99/325715199.db2.gz HDMKBLSQZVJEJK-CABCVRRESA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554347082 388810559 /nfs/dbraw/zinc/81/05/59/388810559.db2.gz HDMKBLSQZVJEJK-GJZGRUSLSA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554347083 388810039 /nfs/dbraw/zinc/81/00/39/388810039.db2.gz HDMKBLSQZVJEJK-HUUCEWRRSA-N 1 0 241.334 3.711 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554347084 388810957 /nfs/dbraw/zinc/81/09/57/388810957.db2.gz HDMKBLSQZVJEJK-LSDHHAIUSA-N 1 0 241.334 3.711 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000554348728 388810074 /nfs/dbraw/zinc/81/00/74/388810074.db2.gz FOALDLZNZDIDCY-DAXOMENPSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000554348729 388810555 /nfs/dbraw/zinc/81/05/55/388810555.db2.gz FOALDLZNZDIDCY-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000554348730 325715161 /nfs/dbraw/zinc/71/51/61/325715161.db2.gz FOALDLZNZDIDCY-UHOFOFEASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000554348731 388810789 /nfs/dbraw/zinc/81/07/89/388810789.db2.gz FOALDLZNZDIDCY-WQVCFCJDSA-N 1 0 229.367 3.568 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554349599 388810019 /nfs/dbraw/zinc/81/00/19/388810019.db2.gz XAWCNEBEUWGXDU-IAOVAPTHSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554349600 325715413 /nfs/dbraw/zinc/71/54/13/325715413.db2.gz XAWCNEBEUWGXDU-JQFCIGGWSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554349602 325715571 /nfs/dbraw/zinc/71/55/71/325715571.db2.gz XAWCNEBEUWGXDU-RRQGHBQHSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554349604 388810570 /nfs/dbraw/zinc/81/05/70/388810570.db2.gz XAWCNEBEUWGXDU-XKQJLSEDSA-N 1 0 243.394 3.704 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000554349846 325715430 /nfs/dbraw/zinc/71/54/30/325715430.db2.gz QTRINPGERXWCKP-DOMZBBRYSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000554349847 325715426 /nfs/dbraw/zinc/71/54/26/325715426.db2.gz QTRINPGERXWCKP-IUODEOHRSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000554349848 325715610 /nfs/dbraw/zinc/71/56/10/325715610.db2.gz QTRINPGERXWCKP-SWLSCSKDSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000554349849 325715466 /nfs/dbraw/zinc/71/54/66/325715466.db2.gz QTRINPGERXWCKP-WFASDCNBSA-N 1 0 247.357 3.636 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000554349887 325715628 /nfs/dbraw/zinc/71/56/28/325715628.db2.gz SCNQSSBUELSDHZ-CABCVRRESA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000554349888 388810400 /nfs/dbraw/zinc/81/04/00/388810400.db2.gz SCNQSSBUELSDHZ-GJZGRUSLSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000554349889 388810710 /nfs/dbraw/zinc/81/07/10/388810710.db2.gz SCNQSSBUELSDHZ-HUUCEWRRSA-N 1 0 247.382 3.610 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000554349890 388810046 /nfs/dbraw/zinc/81/00/46/388810046.db2.gz SCNQSSBUELSDHZ-LSDHHAIUSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000554349973 388809900 /nfs/dbraw/zinc/80/99/00/388809900.db2.gz VYWFNFXAIAUBHZ-KBPBESRZSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000554349974 388810342 /nfs/dbraw/zinc/81/03/42/388810342.db2.gz VYWFNFXAIAUBHZ-KGLIPLIRSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000554349975 388810345 /nfs/dbraw/zinc/81/03/45/388810345.db2.gz VYWFNFXAIAUBHZ-UONOGXRCSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000554349976 325715620 /nfs/dbraw/zinc/71/56/20/325715620.db2.gz VYWFNFXAIAUBHZ-ZIAGYGMSSA-N 1 0 235.346 3.740 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554350001 325715606 /nfs/dbraw/zinc/71/56/06/325715606.db2.gz WQOCUJATBVDRJC-CABCVRRESA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554350002 388810831 /nfs/dbraw/zinc/81/08/31/388810831.db2.gz WQOCUJATBVDRJC-GJZGRUSLSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554350003 325715515 /nfs/dbraw/zinc/71/55/15/325715515.db2.gz WQOCUJATBVDRJC-HUUCEWRRSA-N 1 0 247.382 3.610 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554350004 325715630 /nfs/dbraw/zinc/71/56/30/325715630.db2.gz WQOCUJATBVDRJC-LSDHHAIUSA-N 1 0 247.382 3.610 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000554351837 325715573 /nfs/dbraw/zinc/71/55/73/325715573.db2.gz HKJKTMHHEBANIQ-DOMZBBRYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000554351838 325715418 /nfs/dbraw/zinc/71/54/18/325715418.db2.gz HKJKTMHHEBANIQ-IUODEOHRSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000554351839 325715514 /nfs/dbraw/zinc/71/55/14/325715514.db2.gz HKJKTMHHEBANIQ-SWLSCSKDSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000554351840 325715372 /nfs/dbraw/zinc/71/53/72/325715372.db2.gz HKJKTMHHEBANIQ-WFASDCNBSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000554360700 325716034 /nfs/dbraw/zinc/71/60/34/325716034.db2.gz JTEREEBPIGFKFI-DOMZBBRYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000554360702 388810812 /nfs/dbraw/zinc/81/08/12/388810812.db2.gz JTEREEBPIGFKFI-IUODEOHRSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000554360703 388811721 /nfs/dbraw/zinc/81/17/21/388811721.db2.gz JTEREEBPIGFKFI-SWLSCSKDSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000554360704 325715870 /nfs/dbraw/zinc/71/58/70/325715870.db2.gz JTEREEBPIGFKFI-WFASDCNBSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000554361691 325715914 /nfs/dbraw/zinc/71/59/14/325715914.db2.gz GKSBZMXPDSBORW-FMKPAKJESA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000554361692 322972827 /nfs/dbraw/zinc/97/28/27/322972827.db2.gz GKSBZMXPDSBORW-IIAWOOMASA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000554361693 322972825 /nfs/dbraw/zinc/97/28/25/322972825.db2.gz GKSBZMXPDSBORW-LZWOXQAQSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000554361694 322972828 /nfs/dbraw/zinc/97/28/28/322972828.db2.gz GKSBZMXPDSBORW-SQWLQELKSA-N 1 0 231.383 3.877 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)Cc1cccs1 ZINC000554362043 325716050 /nfs/dbraw/zinc/71/60/50/325716050.db2.gz LQLCMEQBIFMHIA-CQDKDKBSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)Cc1cccs1 ZINC000554362044 325715784 /nfs/dbraw/zinc/71/57/84/325715784.db2.gz LQLCMEQBIFMHIA-GLQYFDAESA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)Cc1cccs1 ZINC000554362045 325716042 /nfs/dbraw/zinc/71/60/42/325716042.db2.gz LQLCMEQBIFMHIA-NILFDRSVSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)Cc1cccs1 ZINC000554362046 325715786 /nfs/dbraw/zinc/71/57/86/325715786.db2.gz LQLCMEQBIFMHIA-TUKIKUTGSA-N 1 0 249.423 3.705 20 0 BHADRO Fc1ccccc1C1([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000554369290 325716136 /nfs/dbraw/zinc/71/61/36/325716136.db2.gz CKDNASGSHDOFBQ-DOMZBBRYSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccccc1C1([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000554369291 388811698 /nfs/dbraw/zinc/81/16/98/388811698.db2.gz CKDNASGSHDOFBQ-IUODEOHRSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccccc1C1([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000554369292 325716267 /nfs/dbraw/zinc/71/62/67/325716267.db2.gz CKDNASGSHDOFBQ-SWLSCSKDSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccccc1C1([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000554369293 325716284 /nfs/dbraw/zinc/71/62/84/325716284.db2.gz CKDNASGSHDOFBQ-WFASDCNBSA-N 1 0 245.341 3.593 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000554370123 388811546 /nfs/dbraw/zinc/81/15/46/388811546.db2.gz JJNIMJFWQDKRIW-ARFHVFGLSA-N 1 0 249.373 3.796 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000554370124 388812006 /nfs/dbraw/zinc/81/20/06/388812006.db2.gz JJNIMJFWQDKRIW-BZUAXINKSA-N 1 0 249.373 3.796 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000554370125 388811642 /nfs/dbraw/zinc/81/16/42/388811642.db2.gz JJNIMJFWQDKRIW-OAGGEKHMSA-N 1 0 249.373 3.796 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000554370126 325716308 /nfs/dbraw/zinc/71/63/08/325716308.db2.gz JJNIMJFWQDKRIW-XHSDSOJGSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000554370482 325716305 /nfs/dbraw/zinc/71/63/05/325716305.db2.gz RYWWKOIPCWSYSF-BPUTZDHNSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000554370483 388811618 /nfs/dbraw/zinc/81/16/18/388811618.db2.gz RYWWKOIPCWSYSF-CWRNSKLLSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000554370484 388811561 /nfs/dbraw/zinc/81/15/61/388811561.db2.gz RYWWKOIPCWSYSF-IMJJTQAJSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000554370485 388812443 /nfs/dbraw/zinc/81/24/43/388812443.db2.gz RYWWKOIPCWSYSF-NUEKZKHPSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000554372013 388811892 /nfs/dbraw/zinc/81/18/92/388811892.db2.gz CZMOMUOAKOGUGD-CYBMUJFWSA-N 1 0 235.346 3.928 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000554372014 325716313 /nfs/dbraw/zinc/71/63/13/325716313.db2.gz CZMOMUOAKOGUGD-ZDUSSCGKSA-N 1 0 235.346 3.928 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000554372519 325716605 /nfs/dbraw/zinc/71/66/05/325716605.db2.gz NADBSUFHZOXKMR-AEGPPILISA-N 1 0 245.366 3.597 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000554372520 325716588 /nfs/dbraw/zinc/71/65/88/325716588.db2.gz NADBSUFHZOXKMR-NWANDNLSSA-N 1 0 245.366 3.597 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554372897 325716609 /nfs/dbraw/zinc/71/66/09/325716609.db2.gz AALDXNGOWWHTIB-CABCVRRESA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554372899 388812322 /nfs/dbraw/zinc/81/23/22/388812322.db2.gz AALDXNGOWWHTIB-GJZGRUSLSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554372901 325716579 /nfs/dbraw/zinc/71/65/79/325716579.db2.gz AALDXNGOWWHTIB-HUUCEWRRSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554372902 325716534 /nfs/dbraw/zinc/71/65/34/325716534.db2.gz AALDXNGOWWHTIB-LSDHHAIUSA-N 1 0 245.341 3.593 20 0 BHADRO CC(C)(C)C1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000554372973 388812440 /nfs/dbraw/zinc/81/24/40/388812440.db2.gz BSAKGSUCZYZLCG-QQFIATSDSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000554372997 325716585 /nfs/dbraw/zinc/71/65/85/325716585.db2.gz BMQLADWLDBASSD-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000554372999 325716576 /nfs/dbraw/zinc/71/65/76/325716576.db2.gz BMQLADWLDBASSD-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000554373001 388812214 /nfs/dbraw/zinc/81/22/14/388812214.db2.gz BMQLADWLDBASSD-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000554373002 388812426 /nfs/dbraw/zinc/81/24/26/388812426.db2.gz BMQLADWLDBASSD-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000554373081 388811916 /nfs/dbraw/zinc/81/19/16/388811916.db2.gz XSTMDTVDMPXSMV-HNNXBMFYSA-N 1 0 249.373 3.880 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000554373082 388812402 /nfs/dbraw/zinc/81/24/02/388812402.db2.gz XSTMDTVDMPXSMV-OAHLLOKOSA-N 1 0 249.373 3.880 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000554373167 325716532 /nfs/dbraw/zinc/71/65/32/325716532.db2.gz DHSBXVIDKDZBJK-AKBUMOGYSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000554373171 388811832 /nfs/dbraw/zinc/81/18/32/388811832.db2.gz DHSBXVIDKDZBJK-CRYBEJKASA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000554373172 325716489 /nfs/dbraw/zinc/71/64/89/325716489.db2.gz DHSBXVIDKDZBJK-MHABSNSOSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000554373173 388812176 /nfs/dbraw/zinc/81/21/76/388812176.db2.gz DHSBXVIDKDZBJK-PXZKZTPFSA-N 1 0 243.394 3.885 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(CSC)c1 ZINC000554373178 388812364 /nfs/dbraw/zinc/81/23/64/388812364.db2.gz CUPCERHWDXXTQD-CABCVRRESA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(CSC)c1 ZINC000554373179 325716541 /nfs/dbraw/zinc/71/65/41/325716541.db2.gz CUPCERHWDXXTQD-GJZGRUSLSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(CSC)c1 ZINC000554373180 388812109 /nfs/dbraw/zinc/81/21/09/388812109.db2.gz CUPCERHWDXXTQD-HUUCEWRRSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(CSC)c1 ZINC000554373181 325716529 /nfs/dbraw/zinc/71/65/29/325716529.db2.gz CUPCERHWDXXTQD-LSDHHAIUSA-N 1 0 249.423 3.828 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000554373818 325716538 /nfs/dbraw/zinc/71/65/38/325716538.db2.gz JZGWFZFEYOSWOU-FPCVCCKLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000554373819 325716613 /nfs/dbraw/zinc/71/66/13/325716613.db2.gz JZGWFZFEYOSWOU-FZKCQIBNSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000554373820 325716516 /nfs/dbraw/zinc/71/65/16/325716516.db2.gz JZGWFZFEYOSWOU-JJXSEGSLSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000554373821 325716582 /nfs/dbraw/zinc/71/65/82/325716582.db2.gz JZGWFZFEYOSWOU-WCVJEAGWSA-N 1 0 247.357 3.803 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000554374387 325716973 /nfs/dbraw/zinc/71/69/73/325716973.db2.gz VFYHGUCESDBMFD-CQDKDKBSSA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000554374392 388812115 /nfs/dbraw/zinc/81/21/15/388812115.db2.gz VFYHGUCESDBMFD-GLQYFDAESA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000554374394 388812053 /nfs/dbraw/zinc/81/20/53/388812053.db2.gz VFYHGUCESDBMFD-NILFDRSVSA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000554374396 325716928 /nfs/dbraw/zinc/71/69/28/325716928.db2.gz VFYHGUCESDBMFD-TUKIKUTGSA-N 1 0 235.346 3.790 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(F)CCC1)CC2 ZINC000554374456 388812299 /nfs/dbraw/zinc/81/22/99/388812299.db2.gz WBVYGZSBNSGROS-HNNXBMFYSA-N 1 0 247.357 3.854 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC1(F)CCC1)CC2 ZINC000554374457 388811736 /nfs/dbraw/zinc/81/17/36/388811736.db2.gz WBVYGZSBNSGROS-OAHLLOKOSA-N 1 0 247.357 3.854 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554374588 388811885 /nfs/dbraw/zinc/81/18/85/388811885.db2.gz ZVRMKVLFPFNUSB-OIISXLGYSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554374589 388811525 /nfs/dbraw/zinc/81/15/25/388811525.db2.gz ZVRMKVLFPFNUSB-PVAVHDDUSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554374590 388812367 /nfs/dbraw/zinc/81/23/67/388812367.db2.gz ZVRMKVLFPFNUSB-UAGQMJEPSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554374591 384655774 /nfs/dbraw/zinc/65/57/74/384655774.db2.gz ZVRMKVLFPFNUSB-XIRDDKMYSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1C ZINC000554374856 388812073 /nfs/dbraw/zinc/81/20/73/388812073.db2.gz BRFGWHMFAJMUTI-BFHYXJOUSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c1C ZINC000554374857 388812138 /nfs/dbraw/zinc/81/21/38/388812138.db2.gz BRFGWHMFAJMUTI-IHRRRGAJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c1C ZINC000554374858 388811900 /nfs/dbraw/zinc/81/19/00/388811900.db2.gz BRFGWHMFAJMUTI-MELADBBJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1C ZINC000554374859 325716975 /nfs/dbraw/zinc/71/69/75/325716975.db2.gz BRFGWHMFAJMUTI-MJBXVCDLSA-N 1 0 235.346 3.845 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000554374872 388812335 /nfs/dbraw/zinc/81/23/35/388812335.db2.gz CEKSMDHCNZSOPT-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000554374873 388812011 /nfs/dbraw/zinc/81/20/11/388812011.db2.gz CEKSMDHCNZSOPT-MIGQKNRLSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000554374874 325716931 /nfs/dbraw/zinc/71/69/31/325716931.db2.gz CEKSMDHCNZSOPT-QCEMKRCNSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000554374875 388812344 /nfs/dbraw/zinc/81/23/44/388812344.db2.gz CEKSMDHCNZSOPT-TUUVXOQKSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000554374935 388811904 /nfs/dbraw/zinc/81/19/04/388811904.db2.gz CXSXWMBHDKRBEA-CVEARBPZSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000554374937 388812396 /nfs/dbraw/zinc/81/23/96/388812396.db2.gz CXSXWMBHDKRBEA-HOTGVXAUSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000554374939 388811970 /nfs/dbraw/zinc/81/19/70/388811970.db2.gz CXSXWMBHDKRBEA-HZPDHXFCSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000554374941 325716967 /nfs/dbraw/zinc/71/69/67/325716967.db2.gz CXSXWMBHDKRBEA-JKSUJKDBSA-N 1 0 243.394 3.930 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000554375008 388812164 /nfs/dbraw/zinc/81/21/64/388812164.db2.gz FHJGDWBXPBGFTJ-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000554375009 388812295 /nfs/dbraw/zinc/81/22/95/388812295.db2.gz FHJGDWBXPBGFTJ-DLKVLKDVSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000554375010 388811882 /nfs/dbraw/zinc/81/18/82/388811882.db2.gz FHJGDWBXPBGFTJ-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000554375011 388811844 /nfs/dbraw/zinc/81/18/44/388811844.db2.gz FHJGDWBXPBGFTJ-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000554375609 388811581 /nfs/dbraw/zinc/81/15/81/388811581.db2.gz SPIHDANBEJSHIO-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000554375610 325716150 /nfs/dbraw/zinc/71/61/50/325716150.db2.gz SPIHDANBEJSHIO-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000554375611 325716176 /nfs/dbraw/zinc/71/61/76/325716176.db2.gz SPIHDANBEJSHIO-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000554375612 325716378 /nfs/dbraw/zinc/71/63/78/325716378.db2.gz SPIHDANBEJSHIO-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554377399 388813920 /nfs/dbraw/zinc/81/39/20/388813920.db2.gz NZNKXIXIUXYLAU-BJDJZHNGSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554377400 388812835 /nfs/dbraw/zinc/81/28/35/388812835.db2.gz NZNKXIXIUXYLAU-QCNOEVLYSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554377401 388813442 /nfs/dbraw/zinc/81/34/42/388813442.db2.gz NZNKXIXIUXYLAU-USZNOCQGSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554377402 388813890 /nfs/dbraw/zinc/81/38/90/388813890.db2.gz NZNKXIXIUXYLAU-YFKTTZPYSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000554377838 388813143 /nfs/dbraw/zinc/81/31/43/388813143.db2.gz UQUQLIQCNHPFCJ-CABCVRRESA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000554377839 388813111 /nfs/dbraw/zinc/81/31/11/388813111.db2.gz UQUQLIQCNHPFCJ-GJZGRUSLSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000554377840 388813473 /nfs/dbraw/zinc/81/34/73/388813473.db2.gz UQUQLIQCNHPFCJ-HUUCEWRRSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000554377841 325717465 /nfs/dbraw/zinc/71/74/65/325717465.db2.gz UQUQLIQCNHPFCJ-LSDHHAIUSA-N 1 0 229.367 3.540 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000554383969 388813146 /nfs/dbraw/zinc/81/31/46/388813146.db2.gz ANKKYYZBCBIJPY-NEPJUHHUSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000554383970 325717822 /nfs/dbraw/zinc/71/78/22/325717822.db2.gz ANKKYYZBCBIJPY-NWDGAFQWSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000554383971 388813819 /nfs/dbraw/zinc/81/38/19/388813819.db2.gz ANKKYYZBCBIJPY-RYUDHWBXSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000554383972 388813699 /nfs/dbraw/zinc/81/36/99/388813699.db2.gz ANKKYYZBCBIJPY-VXGBXAGGSA-N 1 0 245.357 3.979 20 0 BHADRO CC1(C)CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554402856 388813198 /nfs/dbraw/zinc/81/31/98/388813198.db2.gz CFOPGLTZRVTTOK-UHFFFAOYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404788 384679393 /nfs/dbraw/zinc/67/93/93/384679393.db2.gz IXICCQXJYUVTHN-GWCFXTLKSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404789 384680143 /nfs/dbraw/zinc/68/01/43/384680143.db2.gz IXICCQXJYUVTHN-GXFFZTMASA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404790 384679647 /nfs/dbraw/zinc/67/96/47/384679647.db2.gz IXICCQXJYUVTHN-MFKMUULPSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404791 384678959 /nfs/dbraw/zinc/67/89/59/384678959.db2.gz IXICCQXJYUVTHN-ZWNOBZJWSA-N 1 0 244.338 3.667 20 0 BHADRO CCCCOCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000554454733 388815702 /nfs/dbraw/zinc/81/57/02/388815702.db2.gz SEMLLWRDYZXAAW-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000554494705 388817259 /nfs/dbraw/zinc/81/72/59/388817259.db2.gz KYEJKSPKLUSRNO-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1cccc(CCC[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000554494706 388817200 /nfs/dbraw/zinc/81/72/00/388817200.db2.gz KYEJKSPKLUSRNO-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1(C2CC2)CC1 ZINC000554547133 325726271 /nfs/dbraw/zinc/72/62/71/325726271.db2.gz BDGJJJNYFWCABB-ACCUITESSA-N 1 0 227.351 3.622 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1(C2CC2)CC1 ZINC000554547137 325726163 /nfs/dbraw/zinc/72/61/63/325726163.db2.gz BDGJJJNYFWCABB-QBFSEMIESA-N 1 0 227.351 3.622 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COC(C)C ZINC000554552432 388821164 /nfs/dbraw/zinc/82/11/64/388821164.db2.gz YWJWGQGZLSEKQR-KFWWJZLASA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COC(C)C ZINC000554552434 325726841 /nfs/dbraw/zinc/72/68/41/325726841.db2.gz YWJWGQGZLSEKQR-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COC(C)C ZINC000554552435 388821169 /nfs/dbraw/zinc/82/11/69/388821169.db2.gz YWJWGQGZLSEKQR-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COC(C)C ZINC000554552436 388819988 /nfs/dbraw/zinc/81/99/88/388819988.db2.gz YWJWGQGZLSEKQR-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000554552776 325726839 /nfs/dbraw/zinc/72/68/39/325726839.db2.gz RVPSASGDROSROO-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000554552777 388820973 /nfs/dbraw/zinc/82/09/73/388820973.db2.gz RVPSASGDROSROO-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000554552778 325726828 /nfs/dbraw/zinc/72/68/28/325726828.db2.gz RVPSASGDROSROO-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OC[C@@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000554552779 388821080 /nfs/dbraw/zinc/82/10/80/388821080.db2.gz RVPSASGDROSROO-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000554655738 325732424 /nfs/dbraw/zinc/73/24/24/325732424.db2.gz VYHWQBYKCFIVEV-CFVMTHIKSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000554655744 388826405 /nfs/dbraw/zinc/82/64/05/388826405.db2.gz VYHWQBYKCFIVEV-NWANDNLSSA-N 1 0 247.407 3.687 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)cc1 ZINC000554656534 325732656 /nfs/dbraw/zinc/73/26/56/325732656.db2.gz ZJFNMQVXEDGLER-UHFFFAOYSA-N 1 0 245.288 3.673 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)o1 ZINC000554657795 388825275 /nfs/dbraw/zinc/82/52/75/388825275.db2.gz MWVUYMKZKYVALI-UHFFFAOYSA-N 1 0 249.276 3.520 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657838 388826512 /nfs/dbraw/zinc/82/65/12/388826512.db2.gz ZXHZTAXVJFUJRS-BJBXXJATSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657839 325732520 /nfs/dbraw/zinc/73/25/20/325732520.db2.gz ZXHZTAXVJFUJRS-OBRUSBNWSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657840 325732708 /nfs/dbraw/zinc/73/27/08/325732708.db2.gz ZXHZTAXVJFUJRS-WKZARQIDSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657841 388826227 /nfs/dbraw/zinc/82/62/27/388826227.db2.gz ZXHZTAXVJFUJRS-ZVJHWVFESA-N 1 0 245.366 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000554657996 388825330 /nfs/dbraw/zinc/82/53/30/388825330.db2.gz OCZJHHXVBVRLRM-IMJJTQAJSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000554657997 388826160 /nfs/dbraw/zinc/82/61/60/388826160.db2.gz OCZJHHXVBVRLRM-NUEKZKHPSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C[NH2+]CC(C)(C)C(F)(F)F)c1 ZINC000554658783 388826285 /nfs/dbraw/zinc/82/62/85/388826285.db2.gz VBZZFTOUQKSGPW-UHFFFAOYSA-N 1 0 245.288 3.673 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000554720676 325734582 /nfs/dbraw/zinc/73/45/82/325734582.db2.gz VCNORQRGWMGVJE-KBPBESRZSA-N 1 0 241.394 3.931 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000554720680 325734539 /nfs/dbraw/zinc/73/45/39/325734539.db2.gz VCNORQRGWMGVJE-KGLIPLIRSA-N 1 0 241.394 3.931 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000554720681 388829444 /nfs/dbraw/zinc/82/94/44/388829444.db2.gz VCNORQRGWMGVJE-UONOGXRCSA-N 1 0 241.394 3.931 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000554720683 325734542 /nfs/dbraw/zinc/73/45/42/325734542.db2.gz VCNORQRGWMGVJE-ZIAGYGMSSA-N 1 0 241.394 3.931 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554720952 388829855 /nfs/dbraw/zinc/82/98/55/388829855.db2.gz IHILNYGZCOLMQP-BEZKJRAVSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554720955 325734574 /nfs/dbraw/zinc/73/45/74/325734574.db2.gz IHILNYGZCOLMQP-TXTTUAKNSA-N 1 0 243.341 3.589 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000554724345 388829400 /nfs/dbraw/zinc/82/94/00/388829400.db2.gz FMNFNJCXFRULDW-CABCVRRESA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000554724349 325734367 /nfs/dbraw/zinc/73/43/67/325734367.db2.gz FMNFNJCXFRULDW-GJZGRUSLSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000554724350 325734490 /nfs/dbraw/zinc/73/44/90/325734490.db2.gz FMNFNJCXFRULDW-HUUCEWRRSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000554724351 388828418 /nfs/dbraw/zinc/82/84/18/388828418.db2.gz FMNFNJCXFRULDW-LSDHHAIUSA-N 1 0 249.423 3.849 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1c(C)noc1C ZINC000554724360 325734441 /nfs/dbraw/zinc/73/44/41/325734441.db2.gz GJTGBHIHTGGJSV-CRWXNKLISA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1c(C)noc1C ZINC000554724363 325734528 /nfs/dbraw/zinc/73/45/28/325734528.db2.gz GJTGBHIHTGGJSV-DGAVXFQQSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1c(C)noc1C ZINC000554724364 388829357 /nfs/dbraw/zinc/82/93/57/388829357.db2.gz GJTGBHIHTGGJSV-REWJHTLYSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1c(C)noc1C ZINC000554724365 325734370 /nfs/dbraw/zinc/73/43/70/325734370.db2.gz GJTGBHIHTGGJSV-RFQIPJPRSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554724759 325734443 /nfs/dbraw/zinc/73/44/43/325734443.db2.gz RKSZAKVVPLLKLE-DXEWXGHRSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554724763 388828471 /nfs/dbraw/zinc/82/84/71/388828471.db2.gz RKSZAKVVPLLKLE-IEAZIUSSSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554724766 325734364 /nfs/dbraw/zinc/73/43/64/325734364.db2.gz RKSZAKVVPLLKLE-NKKGCODLSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554724769 388829002 /nfs/dbraw/zinc/82/90/02/388829002.db2.gz RKSZAKVVPLLKLE-WBQNTZJQSA-N 1 0 241.378 3.761 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000554724899 388829584 /nfs/dbraw/zinc/82/95/84/388829584.db2.gz QNONEOWBKBPVQH-NPJQDHAYSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000554724900 325734893 /nfs/dbraw/zinc/73/48/93/325734893.db2.gz QNONEOWBKBPVQH-QRJUGERDSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000554724902 388829036 /nfs/dbraw/zinc/82/90/36/388829036.db2.gz QNONEOWBKBPVQH-XFIYOXNOSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000554724903 325735111 /nfs/dbraw/zinc/73/51/11/325735111.db2.gz QNONEOWBKBPVQH-ZVDSWSACSA-N 1 0 233.399 3.733 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554725104 384857579 /nfs/dbraw/zinc/85/75/79/384857579.db2.gz LUUBYCBDZYXDFQ-UAGQMJEPSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554725107 384855788 /nfs/dbraw/zinc/85/57/88/384855788.db2.gz LUUBYCBDZYXDFQ-USXIJHARSA-N 1 0 243.394 3.624 20 0 BHADRO c1csc([C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C2CC2)c1 ZINC000554725110 322975399 /nfs/dbraw/zinc/97/53/99/322975399.db2.gz LWUCGVBLBLGFJM-JLNYLFASSA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C2CC2)c1 ZINC000554725163 384856346 /nfs/dbraw/zinc/85/63/46/384856346.db2.gz LWUCGVBLBLGFJM-KYEXWDHISA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C2CC2)c1 ZINC000554725164 322975396 /nfs/dbraw/zinc/97/53/96/322975396.db2.gz LWUCGVBLBLGFJM-SFDCQRBFSA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C2CC2)c1 ZINC000554725165 384856264 /nfs/dbraw/zinc/85/62/64/384856264.db2.gz LWUCGVBLBLGFJM-XFMPKHEZSA-N 1 0 247.407 3.977 20 0 BHADRO CC(C)[N@H+](C[C@H](C)c1ccccc1)CC1CC1 ZINC000554726311 388829652 /nfs/dbraw/zinc/82/96/52/388829652.db2.gz UNHAKLAOXWUVFZ-AWEZNQCLSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[N@H+](C[C@@H](C)c1ccccc1)CC1CC1 ZINC000554726314 388829534 /nfs/dbraw/zinc/82/95/34/388829534.db2.gz UNHAKLAOXWUVFZ-CQSZACIVSA-N 1 0 231.383 3.911 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC1(F)CCC1 ZINC000554726415 388828535 /nfs/dbraw/zinc/82/85/35/388828535.db2.gz KDGCORPEHIZAJA-OWBHPGMISA-N 1 0 247.357 3.962 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC1(F)CCC1 ZINC000554726421 325735121 /nfs/dbraw/zinc/73/51/21/325735121.db2.gz KDGCORPEHIZAJA-WYMLVPIESA-N 1 0 247.357 3.962 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000554738836 325735771 /nfs/dbraw/zinc/73/57/71/325735771.db2.gz MGSSBXBVDWUTDS-DZKIICNBSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000554738846 325735451 /nfs/dbraw/zinc/73/54/51/325735451.db2.gz MGSSBXBVDWUTDS-FMKPAKJESA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000554738847 325735635 /nfs/dbraw/zinc/73/56/35/325735635.db2.gz MGSSBXBVDWUTDS-LZWOXQAQSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000554738848 388829134 /nfs/dbraw/zinc/82/91/34/388829134.db2.gz MGSSBXBVDWUTDS-YCPHGPKFSA-N 1 0 249.398 3.524 20 0 BHADRO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCC2)cc1 ZINC000554836056 388832949 /nfs/dbraw/zinc/83/29/49/388832949.db2.gz XSFIWASFFCKJDZ-ACHSLPGTSA-N 1 0 241.378 3.950 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000554837563 388832342 /nfs/dbraw/zinc/83/23/42/388832342.db2.gz PEZIPXMRDAYPNM-CYBMUJFWSA-N 1 0 233.355 3.947 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000554837564 388832757 /nfs/dbraw/zinc/83/27/57/388832757.db2.gz PEZIPXMRDAYPNM-ZDUSSCGKSA-N 1 0 233.355 3.947 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCc1cccnc1 ZINC000554837578 388833464 /nfs/dbraw/zinc/83/34/64/388833464.db2.gz QFWHTOUSQYTFBR-CQSZACIVSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000554839252 388832737 /nfs/dbraw/zinc/83/27/37/388832737.db2.gz IWJVOLMWZLMNTK-DGCLKSJQSA-N 1 0 215.356 3.635 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000554839259 388833799 /nfs/dbraw/zinc/83/37/99/388833799.db2.gz IWJVOLMWZLMNTK-YPMHNXCESA-N 1 0 215.356 3.635 20 0 BHADRO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554846414 388833026 /nfs/dbraw/zinc/83/30/26/388833026.db2.gz VVGMNHGELZACOY-MUJYYYPQSA-N 1 0 229.367 3.807 20 0 BHADRO CC(C)SCC[N@H+](CC1CC1)CC1CCC1 ZINC000554848858 388833151 /nfs/dbraw/zinc/83/31/51/388833151.db2.gz SCRPZAGLTIMKPU-UHFFFAOYSA-N 1 0 241.444 3.640 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CCC23CCC3)cc1F ZINC000554854761 388833852 /nfs/dbraw/zinc/83/38/52/388833852.db2.gz WJVOQMZLRSXWFZ-HNQUOIGGSA-N 1 0 249.304 3.606 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CCC23CCC3)cc1F ZINC000554854762 388833303 /nfs/dbraw/zinc/83/33/03/388833303.db2.gz WJVOQMZLRSXWFZ-IWQZZHSRSA-N 1 0 249.304 3.606 20 0 BHADRO CC(C)Oc1ccccc1C[NH2+]C1(C2CC2)CC1 ZINC000554857147 325738442 /nfs/dbraw/zinc/73/84/42/325738442.db2.gz MVEDGDGEQSAPHF-UHFFFAOYSA-N 1 0 245.366 3.506 20 0 BHADRO COCc1ccc(C[NH2+]C[C@@H](C)CC(C)C)cc1 ZINC000554858450 325738083 /nfs/dbraw/zinc/73/80/83/325738083.db2.gz OIXLPSGQRUVLGK-AWEZNQCLSA-N 1 0 249.398 3.605 20 0 BHADRO COCc1ccc(C[NH2+]C[C@H](C)CC(C)C)cc1 ZINC000554858451 388833144 /nfs/dbraw/zinc/83/31/44/388833144.db2.gz OIXLPSGQRUVLGK-CQSZACIVSA-N 1 0 249.398 3.605 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCc1cnccc1C ZINC000554859737 325738632 /nfs/dbraw/zinc/73/86/32/325738632.db2.gz TUOYCNFHPQGPRZ-UHFFFAOYSA-N 1 0 248.414 3.881 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000554860379 388832490 /nfs/dbraw/zinc/83/24/90/388832490.db2.gz DJZXMVQWVMMUCQ-KBPBESRZSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000554860381 325739129 /nfs/dbraw/zinc/73/91/29/325739129.db2.gz DJZXMVQWVMMUCQ-KGLIPLIRSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000554860383 388833559 /nfs/dbraw/zinc/83/35/59/388833559.db2.gz DJZXMVQWVMMUCQ-UONOGXRCSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000554860384 388832094 /nfs/dbraw/zinc/83/20/94/388832094.db2.gz DJZXMVQWVMMUCQ-ZIAGYGMSSA-N 1 0 249.398 3.595 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc(C)c(O)c(C)c1 ZINC000554862293 388835020 /nfs/dbraw/zinc/83/50/20/388835020.db2.gz FDDZTFROUVMIPL-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CCC[N@H+](CCCC(C)C)CCc1ccccn1 ZINC000554881814 388834865 /nfs/dbraw/zinc/83/48/65/388834865.db2.gz DMCMMHKABWKOPO-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(Cl)o1 ZINC000554885498 397974332 /nfs/dbraw/zinc/97/43/32/397974332.db2.gz CIIFUPPIARNLIL-UHFFFAOYSA-N 1 0 229.751 3.944 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1CC1(C)CCC1 ZINC000554885634 397974263 /nfs/dbraw/zinc/97/42/63/397974263.db2.gz DFRJHSYNOUNQBG-LLVKDONJSA-N 1 0 235.396 3.857 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1CC1(C)CCC1 ZINC000554885635 397974859 /nfs/dbraw/zinc/97/48/59/397974859.db2.gz DFRJHSYNOUNQBG-NSHDSACASA-N 1 0 235.396 3.857 20 0 BHADRO CCC[C@H](C)C[N@H+](CC)[C@@H](C)c1cccnc1 ZINC000554888274 397974365 /nfs/dbraw/zinc/97/43/65/397974365.db2.gz BCNMWWFEFKRIBK-KBPBESRZSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cccnc1 ZINC000554888276 397974513 /nfs/dbraw/zinc/97/45/13/397974513.db2.gz BCNMWWFEFKRIBK-KGLIPLIRSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@H](C)C[N@H+](CC)[C@H](C)c1cccnc1 ZINC000554888277 397974279 /nfs/dbraw/zinc/97/42/79/397974279.db2.gz BCNMWWFEFKRIBK-UONOGXRCSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC)[C@H](C)c1cccnc1 ZINC000554888280 397974983 /nfs/dbraw/zinc/97/49/83/397974983.db2.gz BCNMWWFEFKRIBK-ZIAGYGMSSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC=CCC1 ZINC000554889568 397975944 /nfs/dbraw/zinc/97/59/44/397975944.db2.gz PEBBSQCKMLKFBB-BFHYXJOUSA-N 1 0 207.361 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CC=CCC1 ZINC000554889572 397975488 /nfs/dbraw/zinc/97/54/88/397975488.db2.gz PEBBSQCKMLKFBB-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CC=CCC1 ZINC000554889574 397976023 /nfs/dbraw/zinc/97/60/23/397976023.db2.gz PEBBSQCKMLKFBB-MELADBBJSA-N 1 0 207.361 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CC=CCC1 ZINC000554889576 397975463 /nfs/dbraw/zinc/97/54/63/397975463.db2.gz PEBBSQCKMLKFBB-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000554889902 397975667 /nfs/dbraw/zinc/97/56/67/397975667.db2.gz ZVJKBDKDGVXKMI-GFCCVEGCSA-N 1 0 243.341 3.852 20 0 BHADRO C[N@H+](C[C@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000554889903 397976112 /nfs/dbraw/zinc/97/61/12/397976112.db2.gz ZVJKBDKDGVXKMI-LBPRGKRZSA-N 1 0 243.341 3.852 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554922677 325740685 /nfs/dbraw/zinc/74/06/85/325740685.db2.gz WTTMVNMJASXZSA-DXCHVLGVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554922690 325740499 /nfs/dbraw/zinc/74/04/99/325740499.db2.gz WTTMVNMJASXZSA-LYSZQXJVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554922692 325740492 /nfs/dbraw/zinc/74/04/92/325740492.db2.gz WTTMVNMJASXZSA-RKHAHWSXSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000554922694 325740480 /nfs/dbraw/zinc/74/04/80/325740480.db2.gz WTTMVNMJASXZSA-VFNXUKNFSA-N 1 0 243.394 3.958 20 0 BHADRO COc1cccc(C2([NH2+]CCCC(C)C)CC2)c1 ZINC000554923534 388836565 /nfs/dbraw/zinc/83/65/65/388836565.db2.gz ZCCFYBZYQVBZDH-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000554924224 325740477 /nfs/dbraw/zinc/74/04/77/325740477.db2.gz YOQLLVPUKSSJHA-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000554961574 388835737 /nfs/dbraw/zinc/83/57/37/388835737.db2.gz VKTYQZNVABUAQG-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000554961575 388835995 /nfs/dbraw/zinc/83/59/95/388835995.db2.gz VKTYQZNVABUAQG-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@H](C)C1CCCCC1)OC ZINC000554993403 325741816 /nfs/dbraw/zinc/74/18/16/325741816.db2.gz AJXAFTDVWBVTJG-GZBFAFLISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)[C@H](C)C1CCCCC1)OC ZINC000554993404 388837278 /nfs/dbraw/zinc/83/72/78/388837278.db2.gz AJXAFTDVWBVTJG-KCQAQPDRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@@H](C)C1CCCCC1)OC ZINC000554993406 325741813 /nfs/dbraw/zinc/74/18/13/325741813.db2.gz AJXAFTDVWBVTJG-UMVBOHGHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1)OC ZINC000554993407 388837202 /nfs/dbraw/zinc/83/72/02/388837202.db2.gz AJXAFTDVWBVTJG-VNHYZAJKSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ncccc1C)C(C)C ZINC000554994436 325741857 /nfs/dbraw/zinc/74/18/57/325741857.db2.gz PLVAAFHAXYHALZ-AWEZNQCLSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ncccc1C)C(C)C ZINC000554994438 388837196 /nfs/dbraw/zinc/83/71/96/388837196.db2.gz PLVAAFHAXYHALZ-CQSZACIVSA-N 1 0 248.414 3.692 20 0 BHADRO CO[C@@H](C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000555006849 397987835 /nfs/dbraw/zinc/98/78/35/397987835.db2.gz LBJLYJJUNTWUSG-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C[N@H+](C)C1(C)CCCC1)c1ccccc1 ZINC000555006850 397987856 /nfs/dbraw/zinc/98/78/56/397987856.db2.gz LBJLYJJUNTWUSG-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000555014500 397988665 /nfs/dbraw/zinc/98/86/65/397988665.db2.gz DDYGDVWQHYCVHR-DZGCQCFKSA-N 1 0 249.398 3.741 20 0 BHADRO CO[C@@H](C[N@H+](C)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000555014505 397988604 /nfs/dbraw/zinc/98/86/04/397988604.db2.gz DDYGDVWQHYCVHR-HIFRSBDPSA-N 1 0 249.398 3.741 20 0 BHADRO CO[C@H](C[N@H+](C)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000555014506 397988687 /nfs/dbraw/zinc/98/86/87/397988687.db2.gz DDYGDVWQHYCVHR-UKRRQHHQSA-N 1 0 249.398 3.741 20 0 BHADRO CO[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000555014507 397988328 /nfs/dbraw/zinc/98/83/28/397988328.db2.gz DDYGDVWQHYCVHR-ZFWWWQNUSA-N 1 0 249.398 3.741 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1sccc1Cl ZINC000555014514 397988096 /nfs/dbraw/zinc/98/80/96/397988096.db2.gz DSDSPAMSGLLPNE-SECBINFHSA-N 1 0 231.792 3.879 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1sccc1Cl ZINC000555014515 397988230 /nfs/dbraw/zinc/98/82/30/397988230.db2.gz DSDSPAMSGLLPNE-VIFPVBQESA-N 1 0 231.792 3.879 20 0 BHADRO CC1(C)CC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000555092614 397992680 /nfs/dbraw/zinc/99/26/80/397992680.db2.gz LLTBHRFPZXSSJG-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO CC(C)OC1CC([NH2+]CC2(C)CCCCC2)C1 ZINC000555099913 397993468 /nfs/dbraw/zinc/99/34/68/397993468.db2.gz RYYQEONAKFEPOM-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000555099916 397993332 /nfs/dbraw/zinc/99/33/32/397993332.db2.gz SDZANAZKUQMVOK-HNNXBMFYSA-N 1 0 229.367 3.615 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000555099917 397993441 /nfs/dbraw/zinc/99/34/41/397993441.db2.gz SDZANAZKUQMVOK-OAHLLOKOSA-N 1 0 229.367 3.615 20 0 BHADRO C[N@H+](CC1Cc2ccccc2C1)C1(C)CCCC1 ZINC000555104633 487770034 /nfs/dbraw/zinc/77/00/34/487770034.db2.gz NVEZRDYQDHQINN-UHFFFAOYSA-N 1 0 243.394 3.666 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)CC(C)(C)C ZINC000555140122 487770169 /nfs/dbraw/zinc/77/01/69/487770169.db2.gz WKXVZPNMWDQCFY-UHFFFAOYSA-N 1 0 249.398 3.824 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555163909 388842236 /nfs/dbraw/zinc/84/22/36/388842236.db2.gz FQMFRRZXBWFUHL-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555163910 325748281 /nfs/dbraw/zinc/74/82/81/325748281.db2.gz FQMFRRZXBWFUHL-RCBQFDQVSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555166036 325748881 /nfs/dbraw/zinc/74/88/81/325748881.db2.gz UIWWCZFSAVFZQX-QEJZJMRPSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555166037 325748918 /nfs/dbraw/zinc/74/89/18/325748918.db2.gz UIWWCZFSAVFZQX-SNPRPXQTSA-N 1 0 231.383 3.814 20 0 BHADRO CCC(CC)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168679 388841863 /nfs/dbraw/zinc/84/18/63/388841863.db2.gz OOQOIBKKQMTHKH-KCXAZCMYSA-N 1 0 231.383 3.957 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168682 388841344 /nfs/dbraw/zinc/84/13/44/388841344.db2.gz OOQOIBKKQMTHKH-RCBQFDQVSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000555210029 388842708 /nfs/dbraw/zinc/84/27/08/388842708.db2.gz SEUMVYBFGKTVMX-AWEZNQCLSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000555210030 388842334 /nfs/dbraw/zinc/84/23/34/388842334.db2.gz SEUMVYBFGKTVMX-CQSZACIVSA-N 1 0 247.382 3.848 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000555225331 388843161 /nfs/dbraw/zinc/84/31/61/388843161.db2.gz HYFNCQTUUTZKAH-BZOOQXSSSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000555225333 388844133 /nfs/dbraw/zinc/84/41/33/388844133.db2.gz HYFNCQTUUTZKAH-KTAKPFMOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555226109 388843559 /nfs/dbraw/zinc/84/35/59/388843559.db2.gz JCEWTFZAWVAPRN-INKLHUPHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555226115 325750257 /nfs/dbraw/zinc/75/02/57/325750257.db2.gz JCEWTFZAWVAPRN-XGLNBEOJSA-N 1 0 229.367 3.567 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555227059 388843567 /nfs/dbraw/zinc/84/35/67/388843567.db2.gz YIUNHVLUKDBHCC-BPUTZDHNSA-N 1 0 229.367 3.734 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555227060 388843514 /nfs/dbraw/zinc/84/35/14/388843514.db2.gz YIUNHVLUKDBHCC-KBMXLJTQSA-N 1 0 229.367 3.734 20 0 BHADRO CC1CC([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000555233582 325749284 /nfs/dbraw/zinc/74/92/84/325749284.db2.gz XFSDMNYVKHKSGP-UHFFFAOYSA-N 1 0 229.367 3.568 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000555233627 388843743 /nfs/dbraw/zinc/84/37/43/388843743.db2.gz YMXIWNOVYYZLRO-BPUTZDHNSA-N 1 0 243.394 3.958 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000555233628 325750940 /nfs/dbraw/zinc/75/09/40/325750940.db2.gz YMXIWNOVYYZLRO-KBMXLJTQSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234984 388843785 /nfs/dbraw/zinc/84/37/85/388843785.db2.gz VHMZHVVJGSYDBD-OEAJRASXSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234985 388843593 /nfs/dbraw/zinc/84/35/93/388843593.db2.gz VHMZHVVJGSYDBD-OJLVUWQFSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234986 388843441 /nfs/dbraw/zinc/84/34/41/388843441.db2.gz VHMZHVVJGSYDBD-TUUVXOQKSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234987 388844109 /nfs/dbraw/zinc/84/41/09/388844109.db2.gz VHMZHVVJGSYDBD-UKMLZYKCSA-N 1 0 243.394 3.814 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CCC1 ZINC000555282586 388844629 /nfs/dbraw/zinc/84/46/29/388844629.db2.gz HQRXPGZPXVZQKG-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC1CCC1 ZINC000555282587 388845004 /nfs/dbraw/zinc/84/50/04/388845004.db2.gz HQRXPGZPXVZQKG-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC1CCC1 ZINC000555282588 388844514 /nfs/dbraw/zinc/84/45/14/388844514.db2.gz HQRXPGZPXVZQKG-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC1CCC1 ZINC000555282589 388845080 /nfs/dbraw/zinc/84/50/80/388845080.db2.gz HQRXPGZPXVZQKG-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO CCC(CC)[N@H+](Cc1cccc(C)n1)C1CC1 ZINC000555290222 388844756 /nfs/dbraw/zinc/84/47/56/388844756.db2.gz KSVURLFAPHZYNI-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000555298423 388844790 /nfs/dbraw/zinc/84/47/90/388844790.db2.gz MBLLTKRGXCBJAJ-DZGCQCFKSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000555298424 388845049 /nfs/dbraw/zinc/84/50/49/388845049.db2.gz MBLLTKRGXCBJAJ-HIFRSBDPSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000555298425 388844957 /nfs/dbraw/zinc/84/49/57/388844957.db2.gz MBLLTKRGXCBJAJ-UKRRQHHQSA-N 1 0 217.356 3.615 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc1 ZINC000555298426 388845338 /nfs/dbraw/zinc/84/53/38/388845338.db2.gz MBLLTKRGXCBJAJ-ZFWWWQNUSA-N 1 0 217.356 3.615 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000555301504 487774445 /nfs/dbraw/zinc/77/44/45/487774445.db2.gz HWGGKBKRCXSYDD-UHFFFAOYSA-N 1 0 248.414 3.999 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC000555314575 398002626 /nfs/dbraw/zinc/00/26/26/398002626.db2.gz DFYCITJUCJBNFD-GDBMZVCRSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC000555314580 398003153 /nfs/dbraw/zinc/00/31/53/398003153.db2.gz DFYCITJUCJBNFD-GOEBONIOSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC000555314582 388845146 /nfs/dbraw/zinc/84/51/46/388845146.db2.gz DFYCITJUCJBNFD-HOCLYGCPSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC000555314583 388844891 /nfs/dbraw/zinc/84/48/91/388844891.db2.gz DFYCITJUCJBNFD-ZBFHGGJFSA-N 1 0 231.383 3.740 20 0 BHADRO C1=C[C@H]([NH+]2C3CCC2CC3)CCCCC1 ZINC000555314683 398003048 /nfs/dbraw/zinc/00/30/48/398003048.db2.gz JFPZHGZLDYMOPI-HSBZDZAISA-N 1 0 205.345 3.502 20 0 BHADRO C1=C[C@@H]([NH+]2C3CCC2CC3)CCCCC1 ZINC000555314684 398003165 /nfs/dbraw/zinc/00/31/65/398003165.db2.gz JFPZHGZLDYMOPI-IYXRBSQSSA-N 1 0 205.345 3.502 20 0 BHADRO CC(C)[N@H+](Cc1cccc(F)c1Cl)C1CC1 ZINC000555314867 398002634 /nfs/dbraw/zinc/00/26/34/398002634.db2.gz RJEHDPPEBHVOFY-UHFFFAOYSA-N 1 0 241.737 3.852 20 0 BHADRO Fc1cccc(C[NH+]2C3CCC2CC3)c1Cl ZINC000555314900 398003204 /nfs/dbraw/zinc/00/32/04/398003204.db2.gz SVEGLMYRXGVXPU-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CCCCC[N@H+](CCC1(OC)CCC1)C(C)C ZINC000555315086 398003060 /nfs/dbraw/zinc/00/30/60/398003060.db2.gz YZSKPCHAAKJJKG-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO c1cc2c(s1)CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000555315854 398002613 /nfs/dbraw/zinc/00/26/13/398002613.db2.gz WUFFUXFXARRRAI-AWEZNQCLSA-N 1 0 247.407 3.995 20 0 BHADRO c1cc2c(s1)CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000555315855 398002785 /nfs/dbraw/zinc/00/27/85/398002785.db2.gz WUFFUXFXARRRAI-CQSZACIVSA-N 1 0 247.407 3.995 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1OCC(C)C ZINC000555321724 398003485 /nfs/dbraw/zinc/00/34/85/398003485.db2.gz BFZBOAIJECRMFL-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CC[NH+](CC)Cc1ccccc1OCC(C)C ZINC000555321768 398003500 /nfs/dbraw/zinc/00/35/00/398003500.db2.gz BYKNLCVKZQTWFN-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](C)C1 ZINC000555322226 398003950 /nfs/dbraw/zinc/00/39/50/398003950.db2.gz VEXSULZMLLDDBX-AWEZNQCLSA-N 1 0 247.382 3.563 20 0 BHADRO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000555322229 398003803 /nfs/dbraw/zinc/00/38/03/398003803.db2.gz VEXSULZMLLDDBX-CQSZACIVSA-N 1 0 247.382 3.563 20 0 BHADRO CC(C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000555332935 388847048 /nfs/dbraw/zinc/84/70/48/388847048.db2.gz QEBXYCMQFFPGIO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]2CC(C)C)nc1 ZINC000555334321 388846666 /nfs/dbraw/zinc/84/66/66/388846666.db2.gz ONRUFPFOUJLHLJ-INIZCTEOSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)C)nc1 ZINC000555334322 398002979 /nfs/dbraw/zinc/00/29/79/398002979.db2.gz ONRUFPFOUJLHLJ-MRXNPFEDSA-N 1 0 246.398 3.655 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC000555334675 388846476 /nfs/dbraw/zinc/84/64/76/388846476.db2.gz BSGNDTAGFSVDJH-HNNXBMFYSA-N 1 0 233.399 3.986 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC000555334676 388847285 /nfs/dbraw/zinc/84/72/85/388847285.db2.gz BSGNDTAGFSVDJH-OAHLLOKOSA-N 1 0 233.399 3.986 20 0 BHADRO CCc1ccc(C[N@@H+](C(CC)CC)C2CC2)nc1 ZINC000555336777 388846451 /nfs/dbraw/zinc/84/64/51/388846451.db2.gz GDURRHQTMVHUKL-UHFFFAOYSA-N 1 0 246.398 3.797 20 0 BHADRO CCC(CC)[N@H+](CCC1(OC)CCC1)C1CC1 ZINC000555336897 388847068 /nfs/dbraw/zinc/84/70/68/388847068.db2.gz JZKSMLXNZFDXHA-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H]1CCSC1 ZINC000555339578 388847603 /nfs/dbraw/zinc/84/76/03/388847603.db2.gz CCOUNBGDUOBRJV-CHWSQXEVSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@@H]1CCSC1 ZINC000555339580 388846777 /nfs/dbraw/zinc/84/67/77/388846777.db2.gz CCOUNBGDUOBRJV-OLZOCXBDSA-N 1 0 241.444 3.640 20 0 BHADRO CC1C[NH+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000555341617 388847317 /nfs/dbraw/zinc/84/73/17/388847317.db2.gz JKPDIEVWJZMQPX-UHFFFAOYSA-N 1 0 237.346 3.805 20 0 BHADRO CC[N@@H+](Cc1cccc(F)c1Cl)CC1CC1 ZINC000555364781 388847450 /nfs/dbraw/zinc/84/74/50/388847450.db2.gz UTBBLMHBWDMZPI-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCc1ccc(C[N@H+](C(C)C)C2CCCC2)nc1 ZINC000555417059 388848012 /nfs/dbraw/zinc/84/80/12/388848012.db2.gz RQGHZQMYKXOMQT-UHFFFAOYSA-N 1 0 246.398 3.797 20 0 BHADRO CC1=CC[N@@H+]([C@H]2C=CCCCCC2)CC1 ZINC000555418216 388848724 /nfs/dbraw/zinc/84/87/24/388848724.db2.gz FYSVDDHESTZZEH-AWEZNQCLSA-N 1 0 205.345 3.527 20 0 BHADRO CC1=CC[N@@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000555418217 388849231 /nfs/dbraw/zinc/84/92/31/388849231.db2.gz FYSVDDHESTZZEH-CQSZACIVSA-N 1 0 205.345 3.527 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000555421978 325756963 /nfs/dbraw/zinc/75/69/63/325756963.db2.gz ZMMIUFKWEDRFQJ-GHMZBOCLSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)c1ccccc1 ZINC000555421979 388850496 /nfs/dbraw/zinc/85/04/96/388850496.db2.gz ZMMIUFKWEDRFQJ-MNOVXSKESA-N 1 0 245.288 3.721 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(F)(F)F ZINC000555421980 388850824 /nfs/dbraw/zinc/85/08/24/388850824.db2.gz ZMMIUFKWEDRFQJ-QWRGUYRKSA-N 1 0 245.288 3.721 20 0 BHADRO C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)c1ccccc1 ZINC000555421981 388850799 /nfs/dbraw/zinc/85/07/99/388850799.db2.gz ZMMIUFKWEDRFQJ-WDEREUQCSA-N 1 0 245.288 3.721 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)nc1 ZINC000555422934 388850655 /nfs/dbraw/zinc/85/06/55/388850655.db2.gz PAMFXPAUQVVYHK-AWEZNQCLSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)nc1 ZINC000555422935 388849901 /nfs/dbraw/zinc/84/99/01/388849901.db2.gz PAMFXPAUQVVYHK-CQSZACIVSA-N 1 0 246.398 3.512 20 0 BHADRO CCOc1ccccc1C[N@H+](CC1CC1)C(C)C ZINC000555429327 388850840 /nfs/dbraw/zinc/85/08/40/388850840.db2.gz CAIUJCQZZQATEI-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)nc1 ZINC000555461099 388850826 /nfs/dbraw/zinc/85/08/26/388850826.db2.gz NMKYJSUPWMFJSE-HNNXBMFYSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)nc1 ZINC000555461100 388850484 /nfs/dbraw/zinc/85/04/84/388850484.db2.gz NMKYJSUPWMFJSE-OAHLLOKOSA-N 1 0 246.398 3.512 20 0 BHADRO C[C@@H]1CSCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000555461251 388850298 /nfs/dbraw/zinc/85/02/98/388850298.db2.gz WSHCQMAJPLRGAL-KBPBESRZSA-N 1 0 239.428 3.560 20 0 BHADRO C[C@H]1CSCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000555461252 388850949 /nfs/dbraw/zinc/85/09/49/388850949.db2.gz WSHCQMAJPLRGAL-KGLIPLIRSA-N 1 0 239.428 3.560 20 0 BHADRO C[C@@H]1CSCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000555461253 388850177 /nfs/dbraw/zinc/85/01/77/388850177.db2.gz WSHCQMAJPLRGAL-UONOGXRCSA-N 1 0 239.428 3.560 20 0 BHADRO C[C@H]1CSCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000555461254 388850701 /nfs/dbraw/zinc/85/07/01/388850701.db2.gz WSHCQMAJPLRGAL-ZIAGYGMSSA-N 1 0 239.428 3.560 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000555462998 388850072 /nfs/dbraw/zinc/85/00/72/388850072.db2.gz VOURVXUHXFQGTC-INIZCTEOSA-N 1 0 244.382 3.711 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000555462999 388850422 /nfs/dbraw/zinc/85/04/22/388850422.db2.gz VOURVXUHXFQGTC-MRXNPFEDSA-N 1 0 244.382 3.711 20 0 BHADRO CC(C)c1ccc(CSCC[NH+](C)C)cc1 ZINC000555469606 325758971 /nfs/dbraw/zinc/75/89/71/325758971.db2.gz PHNPUKJBARLYRO-UHFFFAOYSA-N 1 0 237.412 3.605 20 0 BHADRO CSCCC[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000555499980 388852317 /nfs/dbraw/zinc/85/23/17/388852317.db2.gz KJHALVRWXYAFBF-CYBMUJFWSA-N 1 0 227.417 3.560 20 0 BHADRO CSCCC[N@H+](C)[C@H]1C=CCCCCC1 ZINC000555499981 388852128 /nfs/dbraw/zinc/85/21/28/388852128.db2.gz KJHALVRWXYAFBF-ZDUSSCGKSA-N 1 0 227.417 3.560 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1conc1CC ZINC000555511343 325759620 /nfs/dbraw/zinc/75/96/20/325759620.db2.gz CGQZKKNJMJOXOE-GFCCVEGCSA-N 1 0 238.375 3.543 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1conc1CC ZINC000555511346 388851261 /nfs/dbraw/zinc/85/12/61/388851261.db2.gz CGQZKKNJMJOXOE-LBPRGKRZSA-N 1 0 238.375 3.543 20 0 BHADRO Cc1ccc(CSCC[NH2+]CC2(C)CC2)cc1 ZINC000555525497 388851974 /nfs/dbraw/zinc/85/19/74/388851974.db2.gz NDRMONHVRBWQQO-UHFFFAOYSA-N 1 0 249.423 3.618 20 0 BHADRO CC1(C[NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000555525566 388851888 /nfs/dbraw/zinc/85/18/88/388851888.db2.gz LEMMXSWQRPOBOJ-UHFFFAOYSA-N 1 0 239.362 3.772 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+]CC3(C)CC3)cc2c1C ZINC000555525826 388852426 /nfs/dbraw/zinc/85/24/26/388852426.db2.gz WQQUCBXRCATCNY-UHFFFAOYSA-N 1 0 242.366 3.674 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(OC)ccc1F ZINC000555546149 388853860 /nfs/dbraw/zinc/85/38/60/388853860.db2.gz UVOWQCOJDSGTIS-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1CCC2(CC2)CC1 ZINC000555546245 325761145 /nfs/dbraw/zinc/76/11/45/325761145.db2.gz LFUQLXCHPITIDR-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1CCC2(CC2)CC1 ZINC000555546247 388853419 /nfs/dbraw/zinc/85/34/19/388853419.db2.gz LFUQLXCHPITIDR-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000555564324 325762527 /nfs/dbraw/zinc/76/25/27/325762527.db2.gz LINGOSIANJIBKX-UHFFFAOYSA-N 1 0 241.378 3.986 20 0 BHADRO CCCc1ccc(C[NH2+]C(C)(C)COCC)cc1 ZINC000555583363 388855018 /nfs/dbraw/zinc/85/50/18/388855018.db2.gz YUUJICRPPCHYSY-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555586936 325764113 /nfs/dbraw/zinc/76/41/13/325764113.db2.gz MOHWVSOWJGLHPY-BLLLJJGKSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555586937 388855715 /nfs/dbraw/zinc/85/57/15/388855715.db2.gz MOHWVSOWJGLHPY-LRDDRELGSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555586938 325763772 /nfs/dbraw/zinc/76/37/72/325763772.db2.gz MOHWVSOWJGLHPY-MLGOLLRUSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555586939 490196421 /nfs/dbraw/zinc/19/64/21/490196421.db2.gz MOHWVSOWJGLHPY-WBMJQRKESA-N 1 0 229.367 3.842 20 0 BHADRO CC(F)(F)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000555593758 325763767 /nfs/dbraw/zinc/76/37/67/325763767.db2.gz NZTHLLBWVKWCSX-UHFFFAOYSA-N 1 0 239.309 3.831 20 0 BHADRO C[N@H+](CCc1ccc(Cl)cc1)CC1(C)CC1 ZINC000555595090 388855168 /nfs/dbraw/zinc/85/51/68/388855168.db2.gz KQSXJJDPZVLSKU-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)CC1(C)CC1 ZINC000555596288 388855528 /nfs/dbraw/zinc/85/55/28/388855528.db2.gz COTHKFBGANLDNE-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO COc1cccc([C@@H]2CCC[N@@H+]2CC2(C)CC2)c1 ZINC000555596454 388855214 /nfs/dbraw/zinc/85/52/14/388855214.db2.gz RFGQCKZPQIPHJE-HNNXBMFYSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc([C@H]2CCC[N@@H+]2CC2(C)CC2)c1 ZINC000555596455 388854991 /nfs/dbraw/zinc/85/49/91/388854991.db2.gz RFGQCKZPQIPHJE-OAHLLOKOSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccccc1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000555606584 388857325 /nfs/dbraw/zinc/85/73/25/388857325.db2.gz IIWLZMJFFZWHCM-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000555606723 388857364 /nfs/dbraw/zinc/85/73/64/388857364.db2.gz OWQQSUWMALENJG-HIFPTAJRSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000555606728 388856963 /nfs/dbraw/zinc/85/69/63/388856963.db2.gz OWQQSUWMALENJG-PNESKVBLSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000555607112 325764431 /nfs/dbraw/zinc/76/44/31/325764431.db2.gz VUTLBRJRGPBTMV-UHFFFAOYSA-N 1 0 235.346 3.740 20 0 BHADRO CCCn1ccc(C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000555607285 325764768 /nfs/dbraw/zinc/76/47/68/325764768.db2.gz YFCFYQZDJREYNE-UHFFFAOYSA-N 1 0 248.414 3.812 20 0 BHADRO COC(C)(C)CC[NH2+]C(C)(C)c1ccccc1C ZINC000555612548 325764440 /nfs/dbraw/zinc/76/44/40/325764440.db2.gz RZHWWTFRLVQPMQ-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCCOC(C)C ZINC000555612658 325765285 /nfs/dbraw/zinc/76/52/85/325765285.db2.gz YBMDXHJQUPZEIG-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO CC(C)C1([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000555613322 325765333 /nfs/dbraw/zinc/76/53/33/325765333.db2.gz VDMROPNTCYNUFS-ARJAWSKDSA-N 1 0 233.330 3.617 20 0 BHADRO CC(C)C1([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000555613323 325765571 /nfs/dbraw/zinc/76/55/71/325765571.db2.gz VDMROPNTCYNUFS-ONEGZZNKSA-N 1 0 233.330 3.617 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000555613498 388857140 /nfs/dbraw/zinc/85/71/40/388857140.db2.gz XXMHFTZLARDJDT-AWEZNQCLSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000555613499 325765522 /nfs/dbraw/zinc/76/55/22/325765522.db2.gz XXMHFTZLARDJDT-CQSZACIVSA-N 1 0 231.383 3.704 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000555613850 325765088 /nfs/dbraw/zinc/76/50/88/325765088.db2.gz ADAHBCPYUYUOBL-CABCVRRESA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)C1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000555613851 325765350 /nfs/dbraw/zinc/76/53/50/325765350.db2.gz ADAHBCPYUYUOBL-HUUCEWRRSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)C1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000555613852 325765087 /nfs/dbraw/zinc/76/50/87/325765087.db2.gz ADAHBCPYUYUOBL-LSDHHAIUSA-N 1 0 229.367 3.568 20 0 BHADRO FC1(C[NH2+]CCc2cc3ccccc3s2)CC1 ZINC000555614460 388857120 /nfs/dbraw/zinc/85/71/20/388857120.db2.gz AFOGULUOQFPHQL-UHFFFAOYSA-N 1 0 249.354 3.536 20 0 BHADRO C[C@H](F)CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000555617268 388856178 /nfs/dbraw/zinc/85/61/78/388856178.db2.gz WFYJVGKCSAGUHK-KBPBESRZSA-N 1 0 237.362 3.593 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]CC[C@H](C)F ZINC000555617269 325765102 /nfs/dbraw/zinc/76/51/02/325765102.db2.gz WFYJVGKCSAGUHK-KGLIPLIRSA-N 1 0 237.362 3.593 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000555617270 325765289 /nfs/dbraw/zinc/76/52/89/325765289.db2.gz WFYJVGKCSAGUHK-UONOGXRCSA-N 1 0 237.362 3.593 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000555617271 388857486 /nfs/dbraw/zinc/85/74/86/388857486.db2.gz WFYJVGKCSAGUHK-ZIAGYGMSSA-N 1 0 237.362 3.593 20 0 BHADRO CC1(C[NH2+]CCc2cc3ccccc3s2)CC1 ZINC000555617430 325765435 /nfs/dbraw/zinc/76/54/35/325765435.db2.gz BAHAQMUMPWVWNE-UHFFFAOYSA-N 1 0 245.391 3.834 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc2ccccc2c1 ZINC000555617870 325765488 /nfs/dbraw/zinc/76/54/88/325765488.db2.gz ZRKSYSUBTUSJDG-GFCCVEGCSA-N 1 0 231.314 3.678 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc2ccccc2c1 ZINC000555617871 388856463 /nfs/dbraw/zinc/85/64/63/388856463.db2.gz ZRKSYSUBTUSJDG-LBPRGKRZSA-N 1 0 231.314 3.678 20 0 BHADRO CC(C)C1([NH2+]CCSCc2ccccc2)CC1 ZINC000555618664 388856919 /nfs/dbraw/zinc/85/69/19/388856919.db2.gz LTJWKMNHQWMXFQ-UHFFFAOYSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000555634835 388857152 /nfs/dbraw/zinc/85/71/52/388857152.db2.gz HRNVQHHZZQZYGX-GMTAPVOTSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000555634836 388856540 /nfs/dbraw/zinc/85/65/40/388856540.db2.gz HRNVQHHZZQZYGX-MXWKQRLJSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000555634837 388856479 /nfs/dbraw/zinc/85/64/79/388856479.db2.gz HRNVQHHZZQZYGX-OUAUKWLOSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000555634838 388856331 /nfs/dbraw/zinc/85/63/31/388856331.db2.gz HRNVQHHZZQZYGX-VWYCJHECSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)[C@H]1C ZINC000555634979 388857110 /nfs/dbraw/zinc/85/71/10/388857110.db2.gz UWCFGAUTTPRWAU-KBPBESRZSA-N 1 0 239.362 3.723 20 0 BHADRO C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)[C@H]1C ZINC000555634980 388856272 /nfs/dbraw/zinc/85/62/72/388856272.db2.gz UWCFGAUTTPRWAU-KGLIPLIRSA-N 1 0 239.362 3.723 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CCc1ccc2ccccc2c1 ZINC000555634981 388856448 /nfs/dbraw/zinc/85/64/48/388856448.db2.gz UWCFGAUTTPRWAU-UONOGXRCSA-N 1 0 239.362 3.723 20 0 BHADRO C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)[C@@H]1C ZINC000555634982 388856422 /nfs/dbraw/zinc/85/64/22/388856422.db2.gz UWCFGAUTTPRWAU-ZIAGYGMSSA-N 1 0 239.362 3.723 20 0 BHADRO C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)[C@H]1C ZINC000555635210 388856229 /nfs/dbraw/zinc/85/62/29/388856229.db2.gz SKVYXKGFYHSJNN-NEPJUHHUSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000555635211 388856899 /nfs/dbraw/zinc/85/68/99/388856899.db2.gz SKVYXKGFYHSJNN-NWDGAFQWSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)[C@H]1C ZINC000555635212 388856530 /nfs/dbraw/zinc/85/65/30/388856530.db2.gz SKVYXKGFYHSJNN-RYUDHWBXSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)[C@@H]1C ZINC000555635213 388857051 /nfs/dbraw/zinc/85/70/51/388857051.db2.gz SKVYXKGFYHSJNN-VXGBXAGGSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@H]1C[N@H+](CCCSCc2ccccc2)[C@H]1C ZINC000555642574 388859022 /nfs/dbraw/zinc/85/90/22/388859022.db2.gz YKFKDLQMAXKYOP-KBPBESRZSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@@H]1C[N@H+](CCCSCc2ccccc2)[C@H]1C ZINC000555642575 388858497 /nfs/dbraw/zinc/85/84/97/388858497.db2.gz YKFKDLQMAXKYOP-KGLIPLIRSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCSCc1ccccc1 ZINC000555642576 388858972 /nfs/dbraw/zinc/85/89/72/388858972.db2.gz YKFKDLQMAXKYOP-UONOGXRCSA-N 1 0 249.423 3.650 20 0 BHADRO C[C@@H]1C[N@H+](CCCSCc2ccccc2)[C@@H]1C ZINC000555642577 388858928 /nfs/dbraw/zinc/85/89/28/388858928.db2.gz YKFKDLQMAXKYOP-ZIAGYGMSSA-N 1 0 249.423 3.650 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000555643811 325767654 /nfs/dbraw/zinc/76/76/54/325767654.db2.gz GUZCGWBMLZQKRI-OLZOCXBDSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000555644488 388859057 /nfs/dbraw/zinc/85/90/57/388859057.db2.gz GUZCGWBMLZQKRI-QWHCGFSZSA-N 1 0 249.354 3.882 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000555644639 388858136 /nfs/dbraw/zinc/85/81/36/388858136.db2.gz KUABRIKRTLDCSD-LSDHHAIUSA-N 1 0 235.346 3.592 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000555644855 325767335 /nfs/dbraw/zinc/76/73/35/325767335.db2.gz NEKPIKDGYGUXOG-OLZOCXBDSA-N 1 0 249.354 3.882 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000555645181 388858543 /nfs/dbraw/zinc/85/85/43/388858543.db2.gz SJZVGORODSLVQP-JKSUJKDBSA-N 1 0 243.325 3.820 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000555645351 388858295 /nfs/dbraw/zinc/85/82/95/388858295.db2.gz XGFKVNQXJIBTRD-HAQNSBGRSA-N 1 0 249.785 3.976 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555645433 490196448 /nfs/dbraw/zinc/19/64/48/490196448.db2.gz ZIFBNPOKTAOCHN-CVEARBPZSA-N 1 0 247.357 3.934 20 0 BHADRO CN(Cc1c(F)cccc1F)[C@@H]1C=CCCC1 ZINC000555649838 388858090 /nfs/dbraw/zinc/85/80/90/388858090.db2.gz AFLZPLILXKFCHB-LLVKDONJSA-N 1 0 237.293 3.505 20 0 BHADRO CN(Cc1c(F)cccc1F)[C@H]1C=CCCC1 ZINC000555649839 388857875 /nfs/dbraw/zinc/85/78/75/388857875.db2.gz AFLZPLILXKFCHB-NSHDSACASA-N 1 0 237.293 3.505 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000555696641 388860354 /nfs/dbraw/zinc/86/03/54/388860354.db2.gz KAQFBCRJXICSSW-HNNXBMFYSA-N 1 0 243.325 3.774 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000555696642 388860185 /nfs/dbraw/zinc/86/01/85/388860185.db2.gz KAQFBCRJXICSSW-OAHLLOKOSA-N 1 0 243.325 3.774 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000555697316 388859655 /nfs/dbraw/zinc/85/96/55/388859655.db2.gz MVQHZORACTUPSI-DZGCQCFKSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697431 388860631 /nfs/dbraw/zinc/86/06/31/388860631.db2.gz MVQHZORACTUPSI-HIFRSBDPSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000555697432 388860666 /nfs/dbraw/zinc/86/06/66/388860666.db2.gz MVQHZORACTUPSI-UKRRQHHQSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697434 388859962 /nfs/dbraw/zinc/85/99/62/388859962.db2.gz MVQHZORACTUPSI-ZFWWWQNUSA-N 1 0 229.367 3.870 20 0 BHADRO CC1(C)C[N@H+](Cc2cccs2)[C@@H]2CCC[C@H]21 ZINC000555720967 364695944 /nfs/dbraw/zinc/69/59/44/364695944.db2.gz BVRINZWKRQQOGM-CHWSQXEVSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2cccs2)[C@H]2CCC[C@H]21 ZINC000555720968 364695714 /nfs/dbraw/zinc/69/57/14/364695714.db2.gz BVRINZWKRQQOGM-OLZOCXBDSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000555720969 364695794 /nfs/dbraw/zinc/69/57/94/364695794.db2.gz BVRINZWKRQQOGM-QWHCGFSZSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2cccs2)[C@H]2CCC[C@@H]21 ZINC000555720970 388860266 /nfs/dbraw/zinc/86/02/66/388860266.db2.gz BVRINZWKRQQOGM-STQMWFEESA-N 1 0 235.396 3.759 20 0 BHADRO CCCC[N@H+](Cc1ccon1)C1CCCCC1 ZINC000555774530 388862278 /nfs/dbraw/zinc/86/22/78/388862278.db2.gz ARQNMDPSKMWHEY-UHFFFAOYSA-N 1 0 236.359 3.609 20 0 BHADRO CCCC[N@H+](CCCF)C1CCCCC1 ZINC000555774941 388861308 /nfs/dbraw/zinc/86/13/08/388861308.db2.gz OJEUIKJDKWBNEP-UHFFFAOYSA-N 1 0 215.356 3.781 20 0 BHADRO CCCC[N@H+](CCCCOC)C1CCCCC1 ZINC000555775113 388861607 /nfs/dbraw/zinc/86/16/07/388861607.db2.gz WIOQGWSXLRDGDM-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000555926261 388863100 /nfs/dbraw/zinc/86/31/00/388863100.db2.gz VZIFFDFROGHSRE-CABCVRRESA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@H](F)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000555926263 388863623 /nfs/dbraw/zinc/86/36/23/388863623.db2.gz VZIFFDFROGHSRE-GJZGRUSLSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000555926265 388863454 /nfs/dbraw/zinc/86/34/54/388863454.db2.gz VZIFFDFROGHSRE-HUUCEWRRSA-N 1 0 235.346 3.532 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000555926266 388863500 /nfs/dbraw/zinc/86/35/00/388863500.db2.gz VZIFFDFROGHSRE-LSDHHAIUSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccccc1C1CC[NH+](CC2CCC2)CC1 ZINC000555935456 325773981 /nfs/dbraw/zinc/77/39/81/325773981.db2.gz OBDRWQBCGRVVKW-UHFFFAOYSA-N 1 0 243.394 3.975 20 0 BHADRO Fc1ccc(C2([NH2+]CC3CCC3)CCCC2)cc1 ZINC000555967079 388863925 /nfs/dbraw/zinc/86/39/25/388863925.db2.gz KSBZVDDJTDTLLS-UHFFFAOYSA-N 1 0 247.357 3.985 20 0 BHADRO Clc1ccccc1C[C@H]([NH2+]CC1CC1)C1CC1 ZINC000556052819 388865251 /nfs/dbraw/zinc/86/52/51/388865251.db2.gz XHKYFTLZPRNQKA-HNNXBMFYSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccccc1C[C@@H]([NH2+]CC1CC1)C1CC1 ZINC000556052820 388865327 /nfs/dbraw/zinc/86/53/27/388865327.db2.gz XHKYFTLZPRNQKA-OAHLLOKOSA-N 1 0 249.785 3.661 20 0 BHADRO COc1cc(C[N@H+](CC2CC2)C(C)C)ccc1C ZINC000556082300 388866734 /nfs/dbraw/zinc/86/67/34/388866734.db2.gz RHTZZLCZVJLEOR-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CCC(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC000556087986 388867119 /nfs/dbraw/zinc/86/71/19/388867119.db2.gz HUXDUHXAOWEUAM-UHFFFAOYSA-N 1 0 244.382 3.614 20 0 BHADRO COc1cc(C[NH2+]CCC2=CCCC2)ccc1C ZINC000556090143 325778045 /nfs/dbraw/zinc/77/80/45/325778045.db2.gz DVADPBHMPXROCU-UHFFFAOYSA-N 1 0 245.366 3.594 20 0 BHADRO CCCC[N@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000556104843 388867112 /nfs/dbraw/zinc/86/71/12/388867112.db2.gz LZUOCFCILOGQLH-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCCC[N@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000556104846 388866701 /nfs/dbraw/zinc/86/67/01/388866701.db2.gz LZUOCFCILOGQLH-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000556104951 388866731 /nfs/dbraw/zinc/86/67/31/388866731.db2.gz NKPXNXYNAHHRHL-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[N@H+](CC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000556104952 388866476 /nfs/dbraw/zinc/86/64/76/388866476.db2.gz NKPXNXYNAHHRHL-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO C[N@H+](C[C@H]1CCC(F)(F)C1)C(C1CC1)C1CC1 ZINC000556104963 388866425 /nfs/dbraw/zinc/86/64/25/388866425.db2.gz NPFPQGPIGDOVOR-JTQLQIEISA-N 1 0 243.341 3.542 20 0 BHADRO C[N@H+](C[C@@H]1CCC(F)(F)C1)C(C1CC1)C1CC1 ZINC000556104964 388866784 /nfs/dbraw/zinc/86/67/84/388866784.db2.gz NPFPQGPIGDOVOR-SNVBAGLBSA-N 1 0 243.341 3.542 20 0 BHADRO CCC[NH+](CCC)C[C@@H]1CCC(F)(F)C1 ZINC000556107464 325778943 /nfs/dbraw/zinc/77/89/43/325778943.db2.gz GZZHYZMYAJTTDP-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCC[NH+](CCC)C[C@H]1CCC(F)(F)C1 ZINC000556107465 388866782 /nfs/dbraw/zinc/86/67/82/388866782.db2.gz GZZHYZMYAJTTDP-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(F)c1Cl ZINC000556113000 388867883 /nfs/dbraw/zinc/86/78/83/388867883.db2.gz MNJXRBGRJBLOHU-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(F)c1Cl ZINC000556113001 388868603 /nfs/dbraw/zinc/86/86/03/388868603.db2.gz MNJXRBGRJBLOHU-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CC[N@H+](CCCCCF)Cc1ccccc1C ZINC000556113030 388868594 /nfs/dbraw/zinc/86/85/94/388868594.db2.gz RGBRYJWPBCPDET-UHFFFAOYSA-N 1 0 237.362 3.957 20 0 BHADRO CC(C)([NH2+]CC1(C)CCC1)c1cccc(F)c1 ZINC000556122549 388867690 /nfs/dbraw/zinc/86/76/90/388867690.db2.gz CXBJEKWDDLUNAJ-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CCCC1(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000556149583 388869048 /nfs/dbraw/zinc/86/90/48/388869048.db2.gz HWUGPUYVAFNTMC-WDNDVIMCSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000556176866 388869691 /nfs/dbraw/zinc/86/96/91/388869691.db2.gz CUPSZSIUPXEXEN-CYBMUJFWSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000556176867 325783099 /nfs/dbraw/zinc/78/30/99/325783099.db2.gz CUPSZSIUPXEXEN-ZDUSSCGKSA-N 1 0 248.370 3.610 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000556178951 388868910 /nfs/dbraw/zinc/86/89/10/388868910.db2.gz KQIONESEEFNVEV-AVGNSLFASA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000556178952 325782986 /nfs/dbraw/zinc/78/29/86/325782986.db2.gz KQIONESEEFNVEV-XQQFMLRXSA-N 1 0 247.382 3.638 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCC23CCCC3)CCC1 ZINC000556194431 325783720 /nfs/dbraw/zinc/78/37/20/325783720.db2.gz APZBXZUHPANQAA-CYBMUJFWSA-N 1 0 239.378 3.971 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCC23CCCC3)CCC1 ZINC000556194432 388871140 /nfs/dbraw/zinc/87/11/40/388871140.db2.gz APZBXZUHPANQAA-ZDUSSCGKSA-N 1 0 239.378 3.971 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000556202852 388870961 /nfs/dbraw/zinc/87/09/61/388870961.db2.gz XAWQFUBRPAXGBS-UMVBOHGHSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000556202856 388870907 /nfs/dbraw/zinc/87/09/07/388870907.db2.gz XAWQFUBRPAXGBS-YDHLFZDLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)on2)CC1 ZINC000556202892 388871047 /nfs/dbraw/zinc/87/10/47/388871047.db2.gz XMCOFAQKVAMXKK-AVGNSLFASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)on2)CC1 ZINC000556202895 325784234 /nfs/dbraw/zinc/78/42/34/325784234.db2.gz XMCOFAQKVAMXKK-JHJVBQTASA-N 1 0 236.359 3.602 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000556207981 388871264 /nfs/dbraw/zinc/87/12/64/388871264.db2.gz CBYYRFMSLSXZPW-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000556207990 388870976 /nfs/dbraw/zinc/87/09/76/388870976.db2.gz CBYYRFMSLSXZPW-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000556207992 388871245 /nfs/dbraw/zinc/87/12/45/388871245.db2.gz CBYYRFMSLSXZPW-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000556207993 388871250 /nfs/dbraw/zinc/87/12/50/388871250.db2.gz CBYYRFMSLSXZPW-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556211446 388870457 /nfs/dbraw/zinc/87/04/57/388870457.db2.gz GBHGJULPIZDZTF-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556211447 325785030 /nfs/dbraw/zinc/78/50/30/325785030.db2.gz GBHGJULPIZDZTF-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556211448 388870218 /nfs/dbraw/zinc/87/02/18/388870218.db2.gz GBHGJULPIZDZTF-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556211449 325784879 /nfs/dbraw/zinc/78/48/79/325784879.db2.gz GBHGJULPIZDZTF-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000556211978 325784882 /nfs/dbraw/zinc/78/48/82/325784882.db2.gz LJOODGKCYPNENQ-BLLLJJGKSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000556211982 388870395 /nfs/dbraw/zinc/87/03/95/388870395.db2.gz LJOODGKCYPNENQ-LRDDRELGSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000556211983 325784768 /nfs/dbraw/zinc/78/47/68/325784768.db2.gz LJOODGKCYPNENQ-MLGOLLRUSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000556211985 388871098 /nfs/dbraw/zinc/87/10/98/388871098.db2.gz LJOODGKCYPNENQ-WBMJQRKESA-N 1 0 229.367 3.568 20 0 BHADRO c1ccc([C@H](C[NH2+]C2CCCC2)C2CC2)cc1 ZINC000556213047 388870989 /nfs/dbraw/zinc/87/09/89/388870989.db2.gz QIIRLVXPLJWCPZ-INIZCTEOSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H](C[NH2+]C2CCCC2)C2CC2)cc1 ZINC000556213048 388871105 /nfs/dbraw/zinc/87/11/05/388871105.db2.gz QIIRLVXPLJWCPZ-MRXNPFEDSA-N 1 0 229.367 3.712 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000556220767 388871725 /nfs/dbraw/zinc/87/17/25/388871725.db2.gz ARADXWJIKJKQRL-BPUTZDHNSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000556220774 325785248 /nfs/dbraw/zinc/78/52/48/325785248.db2.gz ARADXWJIKJKQRL-KBMXLJTQSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1c(CC)noc1C ZINC000556222895 388871672 /nfs/dbraw/zinc/87/16/72/388871672.db2.gz KJCYMAHDZDVSDE-GFCCVEGCSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1c(CC)noc1C ZINC000556222899 388872360 /nfs/dbraw/zinc/87/23/60/388872360.db2.gz KJCYMAHDZDVSDE-LBPRGKRZSA-N 1 0 238.375 3.604 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000556228675 388871815 /nfs/dbraw/zinc/87/18/15/388871815.db2.gz CQEKKQVVCCBKOQ-BPUTZDHNSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)C1([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000556228676 325785934 /nfs/dbraw/zinc/78/59/34/325785934.db2.gz CQEKKQVVCCBKOQ-KBMXLJTQSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000556229109 388871614 /nfs/dbraw/zinc/87/16/14/388871614.db2.gz FIXYWPKRWIROBB-DOMZBBRYSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000556229124 325785953 /nfs/dbraw/zinc/78/59/53/325785953.db2.gz FIXYWPKRWIROBB-IUODEOHRSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@H](F)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000556229129 325785726 /nfs/dbraw/zinc/78/57/26/325785726.db2.gz FIXYWPKRWIROBB-SWLSCSKDSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000556229133 388871910 /nfs/dbraw/zinc/87/19/10/388871910.db2.gz FIXYWPKRWIROBB-WFASDCNBSA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@H](C)F ZINC000556232381 325785946 /nfs/dbraw/zinc/78/59/46/325785946.db2.gz JCMNWGFSWMFJCS-DZGCQCFKSA-N 1 0 237.362 3.654 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](C)F ZINC000556232382 325785868 /nfs/dbraw/zinc/78/58/68/325785868.db2.gz JCMNWGFSWMFJCS-HIFRSBDPSA-N 1 0 237.362 3.654 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](C)F ZINC000556232384 388871962 /nfs/dbraw/zinc/87/19/62/388871962.db2.gz JCMNWGFSWMFJCS-UKRRQHHQSA-N 1 0 237.362 3.654 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@H](C)F ZINC000556232385 388872074 /nfs/dbraw/zinc/87/20/74/388872074.db2.gz JCMNWGFSWMFJCS-ZFWWWQNUSA-N 1 0 237.362 3.654 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000556232447 388872069 /nfs/dbraw/zinc/87/20/69/388872069.db2.gz GAAAISJNLLDZAR-DZGCQCFKSA-N 1 0 237.362 3.736 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000556232448 325785949 /nfs/dbraw/zinc/78/59/49/325785949.db2.gz GAAAISJNLLDZAR-HIFRSBDPSA-N 1 0 237.362 3.736 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000556232449 325785784 /nfs/dbraw/zinc/78/57/84/325785784.db2.gz GAAAISJNLLDZAR-UKRRQHHQSA-N 1 0 237.362 3.736 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000556232450 325785909 /nfs/dbraw/zinc/78/59/09/325785909.db2.gz GAAAISJNLLDZAR-ZFWWWQNUSA-N 1 0 237.362 3.736 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000556233280 388872449 /nfs/dbraw/zinc/87/24/49/388872449.db2.gz IIBBCJAIECWOQN-HNNXBMFYSA-N 1 0 245.366 3.544 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000556233290 325785830 /nfs/dbraw/zinc/78/58/30/325785830.db2.gz IIBBCJAIECWOQN-OAHLLOKOSA-N 1 0 245.366 3.544 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000556233362 325786579 /nfs/dbraw/zinc/78/65/79/325786579.db2.gz PITWXFMEZFNBEF-KBPBESRZSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000556233364 325786393 /nfs/dbraw/zinc/78/63/93/325786393.db2.gz PITWXFMEZFNBEF-KGLIPLIRSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000556233365 325786386 /nfs/dbraw/zinc/78/63/86/325786386.db2.gz PITWXFMEZFNBEF-UONOGXRCSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000556233449 325786388 /nfs/dbraw/zinc/78/63/88/325786388.db2.gz PITWXFMEZFNBEF-ZIAGYGMSSA-N 1 0 237.362 3.654 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000556233556 384991584 /nfs/dbraw/zinc/99/15/84/384991584.db2.gz JLSBLKFMIQWIKF-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000556233558 384990918 /nfs/dbraw/zinc/99/09/18/384990918.db2.gz JLSBLKFMIQWIKF-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000556233559 322977795 /nfs/dbraw/zinc/97/77/95/322977795.db2.gz JLSBLKFMIQWIKF-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000556233560 384991104 /nfs/dbraw/zinc/99/11/04/384991104.db2.gz JLSBLKFMIQWIKF-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000556233922 384990184 /nfs/dbraw/zinc/99/01/84/384990184.db2.gz LZBIDJVLFAICRI-CVEARBPZSA-N 1 0 241.378 3.805 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000556233924 384990084 /nfs/dbraw/zinc/99/00/84/384990084.db2.gz LZBIDJVLFAICRI-HOTGVXAUSA-N 1 0 241.378 3.805 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000556233925 384991317 /nfs/dbraw/zinc/99/13/17/384991317.db2.gz LZBIDJVLFAICRI-HZPDHXFCSA-N 1 0 241.378 3.805 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000556233926 322977787 /nfs/dbraw/zinc/97/77/87/322977787.db2.gz LZBIDJVLFAICRI-JKSUJKDBSA-N 1 0 241.378 3.805 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H](C)F)cc(C)c1F ZINC000556233957 388871810 /nfs/dbraw/zinc/87/18/10/388871810.db2.gz TVVFARWZALTTCY-NEPJUHHUSA-N 1 0 241.325 3.841 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H](C)F)cc(C)c1F ZINC000556233959 388872440 /nfs/dbraw/zinc/87/24/40/388872440.db2.gz TVVFARWZALTTCY-NWDGAFQWSA-N 1 0 241.325 3.841 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H](C)F)cc(C)c1F ZINC000556233960 388872120 /nfs/dbraw/zinc/87/21/20/388872120.db2.gz TVVFARWZALTTCY-RYUDHWBXSA-N 1 0 241.325 3.841 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)cc(C)c1F ZINC000556233961 388871828 /nfs/dbraw/zinc/87/18/28/388871828.db2.gz TVVFARWZALTTCY-VXGBXAGGSA-N 1 0 241.325 3.841 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000556234392 325786615 /nfs/dbraw/zinc/78/66/15/325786615.db2.gz XCFVKQYEYKMKHK-CYBMUJFWSA-N 1 0 241.325 3.643 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(F)F ZINC000556234393 325786395 /nfs/dbraw/zinc/78/63/95/325786395.db2.gz XCFVKQYEYKMKHK-ZDUSSCGKSA-N 1 0 241.325 3.643 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCc2ccccc2)CC1 ZINC000556235602 325786474 /nfs/dbraw/zinc/78/64/74/325786474.db2.gz BEMFCQDUMYKJKR-INIZCTEOSA-N 1 0 229.367 3.708 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCc2ccccc2)CC1 ZINC000556235603 325786488 /nfs/dbraw/zinc/78/64/88/325786488.db2.gz BEMFCQDUMYKJKR-MRXNPFEDSA-N 1 0 229.367 3.708 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCCC(C)(C)C)no1 ZINC000556235621 325786389 /nfs/dbraw/zinc/78/63/89/325786389.db2.gz BRLHWKXISLZPCN-GFCCVEGCSA-N 1 0 238.375 3.850 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCCC(C)(C)C)no1 ZINC000556235622 325786441 /nfs/dbraw/zinc/78/64/41/325786441.db2.gz BRLHWKXISLZPCN-LBPRGKRZSA-N 1 0 238.375 3.850 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000556236088 388871852 /nfs/dbraw/zinc/87/18/52/388871852.db2.gz LYHMOCPDLCFTQI-DOMZBBRYSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000556236089 325786526 /nfs/dbraw/zinc/78/65/26/325786526.db2.gz LYHMOCPDLCFTQI-IUODEOHRSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000556236090 325786397 /nfs/dbraw/zinc/78/63/97/325786397.db2.gz LYHMOCPDLCFTQI-SWLSCSKDSA-N 1 0 247.382 3.651 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000556236091 325786394 /nfs/dbraw/zinc/78/63/94/325786394.db2.gz LYHMOCPDLCFTQI-WFASDCNBSA-N 1 0 247.382 3.651 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000556237546 325786575 /nfs/dbraw/zinc/78/65/75/325786575.db2.gz AKFRHSMDBIUATE-HRCADAONSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556237656 388872400 /nfs/dbraw/zinc/87/24/00/388872400.db2.gz DPFWJRKZAXXTPN-BPUTZDHNSA-N 1 0 231.383 3.958 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556237658 325786439 /nfs/dbraw/zinc/78/64/39/325786439.db2.gz DPFWJRKZAXXTPN-KBMXLJTQSA-N 1 0 231.383 3.958 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000556237889 325786477 /nfs/dbraw/zinc/78/64/77/325786477.db2.gz PHRPHOZHHUZGLF-IPYPFGDCSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000556237890 388872403 /nfs/dbraw/zinc/87/24/03/388872403.db2.gz PHRPHOZHHUZGLF-KCQAQPDRSA-N 1 0 249.402 3.665 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000556237891 325786497 /nfs/dbraw/zinc/78/64/97/325786497.db2.gz PHRPHOZHHUZGLF-VNHYZAJKSA-N 1 0 249.402 3.665 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556237978 388872424 /nfs/dbraw/zinc/87/24/24/388872424.db2.gz GFCUVTGHEKJBTR-HRCADAONSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556237980 325786356 /nfs/dbraw/zinc/78/63/56/325786356.db2.gz GFCUVTGHEKJBTR-JYJNAYRXSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000556238101 388872298 /nfs/dbraw/zinc/87/22/98/388872298.db2.gz PHRPHOZHHUZGLF-YDHLFZDLSA-N 1 0 249.402 3.665 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000556240167 325786926 /nfs/dbraw/zinc/78/69/26/325786926.db2.gz MBFUTKLJOPFQLW-HRCADAONSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000556240170 325786909 /nfs/dbraw/zinc/78/69/09/325786909.db2.gz MBFUTKLJOPFQLW-JYJNAYRXSA-N 1 0 229.367 3.568 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCc2ccccc2F)CC1 ZINC000556248186 388871548 /nfs/dbraw/zinc/87/15/48/388871548.db2.gz XGOOZYOMGHSUGA-HNNXBMFYSA-N 1 0 247.357 3.847 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCc2ccccc2F)CC1 ZINC000556248187 388871559 /nfs/dbraw/zinc/87/15/59/388871559.db2.gz XGOOZYOMGHSUGA-OAHLLOKOSA-N 1 0 247.357 3.847 20 0 BHADRO CC1CC([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000556251559 325787466 /nfs/dbraw/zinc/78/74/66/325787466.db2.gz CPWQKMNERGOYHJ-FLWUZPLOSA-N 1 0 249.785 3.974 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000556252134 388872344 /nfs/dbraw/zinc/87/23/44/388872344.db2.gz HLFDXADLZYJSSS-BFHYXJOUSA-N 1 0 239.309 3.757 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c1C ZINC000556257064 325787880 /nfs/dbraw/zinc/78/78/80/325787880.db2.gz UQGCNOQFNMWDAC-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c1C ZINC000556257066 325787840 /nfs/dbraw/zinc/78/78/40/325787840.db2.gz UQGCNOQFNMWDAC-YUELXQCFSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000556257889 325788138 /nfs/dbraw/zinc/78/81/38/325788138.db2.gz QJPQHANOFVCECL-CWRNSKLLSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000556257890 325787890 /nfs/dbraw/zinc/78/78/90/325787890.db2.gz QJPQHANOFVCECL-VNQPRFMTSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000556258040 325787997 /nfs/dbraw/zinc/78/79/97/325787997.db2.gz WEFVJWJLDDOSRX-CWRNSKLLSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000556258041 388873177 /nfs/dbraw/zinc/87/31/77/388873177.db2.gz WEFVJWJLDDOSRX-VNQPRFMTSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2CCC[C@H]2F)C1 ZINC000556258988 388873585 /nfs/dbraw/zinc/87/35/85/388873585.db2.gz DXSOFIQSRPBDCK-GMEATFMZSA-N 1 0 247.357 3.721 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000556259091 388872962 /nfs/dbraw/zinc/87/29/62/388872962.db2.gz GEDQYIMFSRHRLF-RRFJBIMHSA-N 1 0 247.357 3.889 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000556259093 325787472 /nfs/dbraw/zinc/78/74/72/325787472.db2.gz GEDQYIMFSRHRLF-ZNMIVQPWSA-N 1 0 247.357 3.889 20 0 BHADRO C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259693 388873137 /nfs/dbraw/zinc/87/31/37/388873137.db2.gz IOPXAKWXRWBKRA-OADPDTJPSA-N 1 0 233.330 3.715 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259704 388873459 /nfs/dbraw/zinc/87/34/59/388873459.db2.gz IOPXAKWXRWBKRA-PUPMMZHASA-N 1 0 233.330 3.715 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259707 388873795 /nfs/dbraw/zinc/87/37/95/388873795.db2.gz IOPXAKWXRWBKRA-QPKOPYBWSA-N 1 0 233.330 3.715 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000556261361 325788234 /nfs/dbraw/zinc/78/82/34/325788234.db2.gz QBLUQCSBWROGJE-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c(C)c1 ZINC000556261362 388872394 /nfs/dbraw/zinc/87/23/94/388872394.db2.gz QBLUQCSBWROGJE-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000556261363 325786368 /nfs/dbraw/zinc/78/63/68/325786368.db2.gz QBLUQCSBWROGJE-VHDGCEQUSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c(C)c1 ZINC000556261364 388872504 /nfs/dbraw/zinc/87/25/04/388872504.db2.gz QBLUQCSBWROGJE-YUELXQCFSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(F)cc1F ZINC000556261405 388873357 /nfs/dbraw/zinc/87/33/57/388873357.db2.gz RPKORRUCPYDISL-DYLAAIIWSA-N 1 0 243.272 3.506 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000556261425 325788369 /nfs/dbraw/zinc/78/83/69/325788369.db2.gz SAOIWZWXTBBCFT-HZSPNIEDSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000556261429 325788334 /nfs/dbraw/zinc/78/83/34/325788334.db2.gz SAOIWZWXTBBCFT-RDBSUJKOSA-N 1 0 239.378 3.970 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc2c(c1)CCC2 ZINC000556262777 325788102 /nfs/dbraw/zinc/78/81/02/325788102.db2.gz WXWRFVOMWQWQJL-KNXALSJPSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc2c(c1)CCC2 ZINC000556262778 325788843 /nfs/dbraw/zinc/78/88/43/325788843.db2.gz WXWRFVOMWQWQJL-LYRGGWFBSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc2c(c1)CCC2 ZINC000556262779 388872730 /nfs/dbraw/zinc/87/27/30/388872730.db2.gz WXWRFVOMWQWQJL-XFBWCDHKSA-N 1 0 247.357 3.717 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc2c(c1)CCC2 ZINC000556262780 325788540 /nfs/dbraw/zinc/78/85/40/325788540.db2.gz WXWRFVOMWQWQJL-XZJROXQQSA-N 1 0 247.357 3.717 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCCCC2(C)C)no1 ZINC000556263308 325788891 /nfs/dbraw/zinc/78/88/91/325788891.db2.gz GBLNLCSKHAMLIX-AAEUAGOBSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)no1 ZINC000556263309 325788940 /nfs/dbraw/zinc/78/89/40/325788940.db2.gz GBLNLCSKHAMLIX-DGCLKSJQSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCCC2(C)C)no1 ZINC000556263310 388873473 /nfs/dbraw/zinc/87/34/73/388873473.db2.gz GBLNLCSKHAMLIX-WCQYABFASA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCCC2(C)C)no1 ZINC000556263311 325788609 /nfs/dbraw/zinc/78/86/09/325788609.db2.gz GBLNLCSKHAMLIX-YPMHNXCESA-N 1 0 236.359 3.602 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@]2(C)CCCO2)CCCC1 ZINC000556264207 388873213 /nfs/dbraw/zinc/87/32/13/388873213.db2.gz NHRFYLDLQZKBQB-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@]2(C)CCCO2)CCCC1 ZINC000556264208 388873515 /nfs/dbraw/zinc/87/35/15/388873515.db2.gz NHRFYLDLQZKBQB-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)CCCC1 ZINC000556264209 388871610 /nfs/dbraw/zinc/87/16/10/388871610.db2.gz NHRFYLDLQZKBQB-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@@]2(C)CCCO2)CCCC1 ZINC000556264210 325785882 /nfs/dbraw/zinc/78/58/82/325785882.db2.gz NHRFYLDLQZKBQB-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2(C)CCCCC2)no1 ZINC000556264543 388873258 /nfs/dbraw/zinc/87/32/58/388873258.db2.gz OXSPKSSQKRNAFA-GFCCVEGCSA-N 1 0 236.359 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2(C)CCCCC2)no1 ZINC000556264544 388873685 /nfs/dbraw/zinc/87/36/85/388873685.db2.gz OXSPKSSQKRNAFA-LBPRGKRZSA-N 1 0 236.359 3.604 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000556270231 388873208 /nfs/dbraw/zinc/87/32/08/388873208.db2.gz YRPSPIUEFXZBCN-HNNXBMFYSA-N 1 0 235.346 3.633 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000556270232 388873672 /nfs/dbraw/zinc/87/36/72/388873672.db2.gz YRPSPIUEFXZBCN-OAHLLOKOSA-N 1 0 235.346 3.633 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CC/C=C\c1ccccc1 ZINC000556271364 388873591 /nfs/dbraw/zinc/87/35/91/388873591.db2.gz ASQFIYKUUUCQKE-CEIYIRBKSA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CC/C=C\c1ccccc1 ZINC000556271365 325788896 /nfs/dbraw/zinc/78/88/96/325788896.db2.gz ASQFIYKUUUCQKE-DNFKICFMSA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CC/C=C/c1ccccc1 ZINC000556271366 388873269 /nfs/dbraw/zinc/87/32/69/388873269.db2.gz ASQFIYKUUUCQKE-LQESKWSZSA-N 1 0 215.340 3.573 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CC/C=C/c1ccccc1 ZINC000556271367 325788703 /nfs/dbraw/zinc/78/87/03/325788703.db2.gz ASQFIYKUUUCQKE-NQCFCXBZSA-N 1 0 215.340 3.573 20 0 BHADRO CCC1([NH2+]Cc2ccc(Cl)cn2)CCCC1 ZINC000556277375 388872955 /nfs/dbraw/zinc/87/29/55/388872955.db2.gz DUJOGZRGMMOCEJ-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CC[NH+](CC)CCSc1ccc(C)c(C)c1 ZINC000556403694 384355206 /nfs/dbraw/zinc/35/52/06/384355206.db2.gz IPBDCYIPMRAGFV-UHFFFAOYSA-N 1 0 237.412 3.737 20 0 BHADRO CCC[C@H]([NH2+]CCc1ccc(C)nc1)C(C)(C)C ZINC000556422444 322911909 /nfs/dbraw/zinc/91/19/09/322911909.db2.gz YLGDOMUAUDZULO-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H]([NH2+]CCc1ccc(C)nc1)C(C)(C)C ZINC000556422448 322911812 /nfs/dbraw/zinc/91/18/12/322911812.db2.gz YLGDOMUAUDZULO-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[N@H+](CCOC)Cc1ccc(C)cc1C ZINC000556490519 384409954 /nfs/dbraw/zinc/40/99/54/384409954.db2.gz RDZHABPIDMNWBO-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCCCCF ZINC000556492175 384412451 /nfs/dbraw/zinc/41/24/51/384412451.db2.gz IRTOEBJNKKNKRD-CYBMUJFWSA-N 1 0 223.335 3.819 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCCCCF ZINC000556492187 384411622 /nfs/dbraw/zinc/41/16/22/384411622.db2.gz IRTOEBJNKKNKRD-ZDUSSCGKSA-N 1 0 223.335 3.819 20 0 BHADRO CC[N@H+](CCCCCF)CCc1ccccc1 ZINC000556494647 384411407 /nfs/dbraw/zinc/41/14/07/384411407.db2.gz BGJJHXQWIMPDIW-UHFFFAOYSA-N 1 0 237.362 3.691 20 0 BHADRO CC[N@H+](CCCCCF)C1CCCCC1 ZINC000556495003 384411616 /nfs/dbraw/zinc/41/16/16/384411616.db2.gz HYPVAUCTANSJLX-UHFFFAOYSA-N 1 0 215.356 3.781 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000556495182 384411522 /nfs/dbraw/zinc/41/15/22/384411522.db2.gz NKKKEDPADXTOHK-INIZCTEOSA-N 1 0 249.373 3.833 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000556495186 384412057 /nfs/dbraw/zinc/41/20/57/384412057.db2.gz NKKKEDPADXTOHK-MRXNPFEDSA-N 1 0 249.373 3.833 20 0 BHADRO CC[N@H+](CCCCCF)Cc1ccc(C)cc1 ZINC000556495190 384412435 /nfs/dbraw/zinc/41/24/35/384412435.db2.gz NLBUZNPWEOTVHB-UHFFFAOYSA-N 1 0 237.362 3.957 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000556495888 384411823 /nfs/dbraw/zinc/41/18/23/384411823.db2.gz XSFZRRLEQIPLKL-AWEZNQCLSA-N 1 0 227.367 3.781 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000556495893 384412094 /nfs/dbraw/zinc/41/20/94/384412094.db2.gz XSFZRRLEQIPLKL-CQSZACIVSA-N 1 0 227.367 3.781 20 0 BHADRO FCCCCC[NH2+]C1(c2ccccc2)CCC1 ZINC000556496764 384414483 /nfs/dbraw/zinc/41/44/83/384414483.db2.gz FIVUWILOHGDLSL-UHFFFAOYSA-N 1 0 235.346 3.795 20 0 BHADRO C[N@H+](CCCCCF)[C@H]1CCc2ccccc2C1 ZINC000556497801 384414777 /nfs/dbraw/zinc/41/47/77/384414777.db2.gz NCVAZVYAPSHMIQ-INIZCTEOSA-N 1 0 249.373 3.616 20 0 BHADRO C[N@H+](CCCCCF)[C@@H]1CCc2ccccc2C1 ZINC000556497803 384414935 /nfs/dbraw/zinc/41/49/35/384414935.db2.gz NCVAZVYAPSHMIQ-MRXNPFEDSA-N 1 0 249.373 3.616 20 0 BHADRO C[C@]1(c2ccccc2)CC[N@H+](CCCCCF)C1 ZINC000556497823 384415109 /nfs/dbraw/zinc/41/51/09/384415109.db2.gz UPHCSRIQQGMNAT-INIZCTEOSA-N 1 0 249.373 3.790 20 0 BHADRO C[C@@]1(c2ccccc2)CC[N@H+](CCCCCF)C1 ZINC000556497825 384415188 /nfs/dbraw/zinc/41/51/88/384415188.db2.gz UPHCSRIQQGMNAT-MRXNPFEDSA-N 1 0 249.373 3.790 20 0 BHADRO FCCCCC[N@@H+]1CCCC12CCCCC2 ZINC000556501861 384414686 /nfs/dbraw/zinc/41/46/86/384414686.db2.gz HVHOUUHCNFGMRK-UHFFFAOYSA-N 1 0 227.367 3.925 20 0 BHADRO COc1cccc(C2([NH2+]CCC(C)(C)C)CC2)c1 ZINC000556503048 384415569 /nfs/dbraw/zinc/41/55/69/384415569.db2.gz ZEOQQEFRBJCWMY-UHFFFAOYSA-N 1 0 247.382 3.710 20 0 BHADRO FC(F)(F)CC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000556506309 322914718 /nfs/dbraw/zinc/91/47/18/322914718.db2.gz RHZVKVFNEZNJOZ-GFCCVEGCSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)CC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000556506313 384416809 /nfs/dbraw/zinc/41/68/09/384416809.db2.gz RHZVKVFNEZNJOZ-LBPRGKRZSA-N 1 0 247.304 3.760 20 0 BHADRO CC[N@H+](Cc1ccccc1N(C)C)C1CCCC1 ZINC000556508016 384418992 /nfs/dbraw/zinc/41/89/92/384418992.db2.gz ZLJQSUABUOWYSP-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CCCCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556508176 384418441 /nfs/dbraw/zinc/41/84/41/384418441.db2.gz UOEBFFIEUQUUIQ-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556508485 517605046 /nfs/dbraw/zinc/60/50/46/517605046.db2.gz SXIJRASEJNUALD-JTQLQIEISA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556508487 322914336 /nfs/dbraw/zinc/91/43/36/322914336.db2.gz SXIJRASEJNUALD-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1CCC(C)(C)C ZINC000556528999 384423321 /nfs/dbraw/zinc/42/33/21/384423321.db2.gz BDBYCRPHDLGEDV-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1CCC(C)(C)C ZINC000556529000 384423709 /nfs/dbraw/zinc/42/37/09/384423709.db2.gz BDBYCRPHDLGEDV-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO FCCCCC[N@H+](CC1CC1)CC1CCC1 ZINC000556536645 384424634 /nfs/dbraw/zinc/42/46/34/384424634.db2.gz ZJWUVZHCYIMFHB-UHFFFAOYSA-N 1 0 227.367 3.638 20 0 BHADRO CCC1CC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000556573147 384432196 /nfs/dbraw/zinc/43/21/96/384432196.db2.gz OAQWKXJJEFRTDL-VKNLNRKYSA-N 1 0 247.357 3.850 20 0 BHADRO CCC1CC([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000556573458 322916521 /nfs/dbraw/zinc/91/65/21/322916521.db2.gz KCIINOMKULBHBA-UHFFFAOYSA-N 1 0 243.394 3.885 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556573885 384432700 /nfs/dbraw/zinc/43/27/00/384432700.db2.gz PCJKVAKFWMPBIA-KKUMJFAQSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556573889 322916524 /nfs/dbraw/zinc/91/65/24/322916524.db2.gz PCJKVAKFWMPBIA-RBSFLKMASA-N 1 0 229.367 3.711 20 0 BHADRO CSCc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000556575144 322916505 /nfs/dbraw/zinc/91/65/05/322916505.db2.gz AYJWJRBSAMFTAJ-AWEZNQCLSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000556575146 384432623 /nfs/dbraw/zinc/43/26/23/384432623.db2.gz AYJWJRBSAMFTAJ-CQSZACIVSA-N 1 0 249.423 3.828 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000556576319 384432734 /nfs/dbraw/zinc/43/27/34/384432734.db2.gz TVUKMRRJWMDURD-INIZCTEOSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000556576320 322916482 /nfs/dbraw/zinc/91/64/82/322916482.db2.gz TVUKMRRJWMDURD-MRXNPFEDSA-N 1 0 243.394 3.570 20 0 BHADRO CCCNc1ccc(C[NH2+]C2CC(CC)C2)cc1 ZINC000556576871 384431487 /nfs/dbraw/zinc/43/14/87/384431487.db2.gz XOUAPAGQDLPXKU-UHFFFAOYSA-N 1 0 246.398 3.787 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000556579424 322916194 /nfs/dbraw/zinc/91/61/94/322916194.db2.gz ZVWFODZSJRWMCR-AWEZNQCLSA-N 1 0 229.367 3.540 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000556579425 322916203 /nfs/dbraw/zinc/91/62/03/322916203.db2.gz ZVWFODZSJRWMCR-CQSZACIVSA-N 1 0 229.367 3.540 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000556581413 384429828 /nfs/dbraw/zinc/42/98/28/384429828.db2.gz RFRDPTLQZDDYHY-HNNXBMFYSA-N 1 0 243.350 3.754 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000556581414 384428419 /nfs/dbraw/zinc/42/84/19/384428419.db2.gz RFRDPTLQZDDYHY-OAHLLOKOSA-N 1 0 243.350 3.754 20 0 BHADRO CCC1CC([NH2+]CC2(C)Cc3ccccc3C2)C1 ZINC000556582888 322916325 /nfs/dbraw/zinc/91/63/25/322916325.db2.gz BDXXJTPGRAMRET-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000556583126 322916240 /nfs/dbraw/zinc/91/62/40/322916240.db2.gz DRNLDDUBDYSQES-CABCVRRESA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000556583127 384429806 /nfs/dbraw/zinc/42/98/06/384429806.db2.gz DRNLDDUBDYSQES-GJZGRUSLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000556583128 384428761 /nfs/dbraw/zinc/42/87/61/384428761.db2.gz DRNLDDUBDYSQES-HUUCEWRRSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000556583129 322916316 /nfs/dbraw/zinc/91/63/16/322916316.db2.gz DRNLDDUBDYSQES-LSDHHAIUSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CC1 ZINC000556583214 322916327 /nfs/dbraw/zinc/91/63/27/322916327.db2.gz GFQODIRQRNWINM-COXVUDFISA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C1CC1 ZINC000556583216 322916255 /nfs/dbraw/zinc/91/62/55/322916255.db2.gz GFQODIRQRNWINM-JQFCIGGWSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H]1C)C1CC1 ZINC000556583217 384428284 /nfs/dbraw/zinc/42/82/84/384428284.db2.gz GFQODIRQRNWINM-XKQJLSEDSA-N 1 0 243.394 3.562 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CC1 ZINC000556583218 384431963 /nfs/dbraw/zinc/43/19/63/384431963.db2.gz GFQODIRQRNWINM-XYPHTWIQSA-N 1 0 243.394 3.562 20 0 BHADRO CCC1CC([NH2+]CCc2c(C)cccc2C)C1 ZINC000556583288 384431371 /nfs/dbraw/zinc/43/13/71/384431371.db2.gz GOCAGPLGIMHOBB-UHFFFAOYSA-N 1 0 231.383 3.624 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000556583730 322916305 /nfs/dbraw/zinc/91/63/05/322916305.db2.gz KVDHETVLWQSUGN-DCBWTQNWSA-N 1 0 233.355 3.534 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000556583731 322916334 /nfs/dbraw/zinc/91/63/34/322916334.db2.gz KVDHETVLWQSUGN-LKSINWNRSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000556583859 384431396 /nfs/dbraw/zinc/43/13/96/384431396.db2.gz MXVWAEIVGUTTKI-DOMZBBRYSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000556583860 322916198 /nfs/dbraw/zinc/91/61/98/322916198.db2.gz MXVWAEIVGUTTKI-IUODEOHRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000556583861 322916242 /nfs/dbraw/zinc/91/62/42/322916242.db2.gz MXVWAEIVGUTTKI-SWLSCSKDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000556583862 384431301 /nfs/dbraw/zinc/43/13/01/384431301.db2.gz MXVWAEIVGUTTKI-WFASDCNBSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)c1ccccc1F ZINC000556584085 384431881 /nfs/dbraw/zinc/43/18/81/384431881.db2.gz PXCITOSIYBNTNG-AWEZNQCLSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)c1ccccc1F ZINC000556584086 384432947 /nfs/dbraw/zinc/43/29/47/384432947.db2.gz PXCITOSIYBNTNG-CQSZACIVSA-N 1 0 249.373 3.882 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)c2cccc(C)c2)C1 ZINC000556584194 322916248 /nfs/dbraw/zinc/91/62/48/322916248.db2.gz RQVQUWVXMZYOAQ-HLIUYOAVSA-N 1 0 231.383 3.877 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)c2cccc(C)c2)C1 ZINC000556584199 384431433 /nfs/dbraw/zinc/43/14/33/384431433.db2.gz RQVQUWVXMZYOAQ-VQCLRJIVSA-N 1 0 231.383 3.877 20 0 BHADRO CCC1CC([NH2+][C@@H](C)COc2cccc(C)c2)C1 ZINC000556584411 322916314 /nfs/dbraw/zinc/91/63/14/322916314.db2.gz SPNNMXGSUDMIEA-NFOMZHRRSA-N 1 0 247.382 3.541 20 0 BHADRO CCC1CC([NH2+][C@H](C)COc2cccc(C)c2)C1 ZINC000556584412 384433001 /nfs/dbraw/zinc/43/30/01/384433001.db2.gz SPNNMXGSUDMIEA-WLYUNCDWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1CCC[NH2+][C@H]1CCC1(C)C ZINC000556584432 384431509 /nfs/dbraw/zinc/43/15/09/384431509.db2.gz UVNJLCAAIRJEMO-HNNXBMFYSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1CCC[NH2+][C@@H]1CCC1(C)C ZINC000556584433 322916261 /nfs/dbraw/zinc/91/62/61/322916261.db2.gz UVNJLCAAIRJEMO-OAHLLOKOSA-N 1 0 231.383 3.706 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000556585016 322916312 /nfs/dbraw/zinc/91/63/12/322916312.db2.gz DQQOYJFOMWYMBU-CYBMUJFWSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000556585017 384431085 /nfs/dbraw/zinc/43/10/85/384431085.db2.gz DQQOYJFOMWYMBU-ZDUSSCGKSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC000556585187 322916318 /nfs/dbraw/zinc/91/63/18/322916318.db2.gz JCRPXNFKWUZYNH-UHFFFAOYSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1CC([NH2+]CCOC2CCCCCC2)C1 ZINC000556585490 384432832 /nfs/dbraw/zinc/43/28/32/384432832.db2.gz HMRQLWPJJNGPNO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C1CC(C)C1)C1CC1 ZINC000556585492 384432923 /nfs/dbraw/zinc/43/29/23/384432923.db2.gz HQSMRYFKCJTWQI-SEFLRBGSSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]C1CC(C)C1)C1CC1 ZINC000556585495 322916551 /nfs/dbraw/zinc/91/65/51/322916551.db2.gz HQSMRYFKCJTWQI-UAIPMZCESA-N 1 0 243.394 3.704 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000556585592 322916474 /nfs/dbraw/zinc/91/64/74/322916474.db2.gz MVYIZDLCWWMEMA-BBRMVZONSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000556585593 322916470 /nfs/dbraw/zinc/91/64/70/322916470.db2.gz MVYIZDLCWWMEMA-CJNGLKHVSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000556585595 384432787 /nfs/dbraw/zinc/43/27/87/384432787.db2.gz MVYIZDLCWWMEMA-CZUORRHYSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000556585597 322916375 /nfs/dbraw/zinc/91/63/75/322916375.db2.gz MVYIZDLCWWMEMA-XJKSGUPXSA-N 1 0 243.394 3.570 20 0 BHADRO CCC1CC([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000556585623 322916382 /nfs/dbraw/zinc/91/63/82/322916382.db2.gz NHOFZJZLRAZJFE-UHFFFAOYSA-N 1 0 247.357 3.636 20 0 BHADRO CCC1CC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000556585788 384432902 /nfs/dbraw/zinc/43/29/02/384432902.db2.gz OFRCWQLRFYDBMC-OJSNXCTFSA-N 1 0 229.367 3.698 20 0 BHADRO CCC1CC([NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000556585790 384432346 /nfs/dbraw/zinc/43/23/46/384432346.db2.gz OFRCWQLRFYDBMC-QXKCDYLGSA-N 1 0 229.367 3.698 20 0 BHADRO CCC1CC([NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000556585791 384432658 /nfs/dbraw/zinc/43/26/58/384432658.db2.gz OFRCWQLRFYDBMC-YQGLWYKZSA-N 1 0 229.367 3.698 20 0 BHADRO CCC1CC([NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000556585792 322916583 /nfs/dbraw/zinc/91/65/83/322916583.db2.gz OFRCWQLRFYDBMC-ZSHMMXAPSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC2(C)C)c1 ZINC000556585850 322916517 /nfs/dbraw/zinc/91/65/17/322916517.db2.gz PEQGZKLKICDORT-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC2(C)C)c1 ZINC000556585851 322916585 /nfs/dbraw/zinc/91/65/85/322916585.db2.gz PEQGZKLKICDORT-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC2(C)C)o1 ZINC000556585853 384431422 /nfs/dbraw/zinc/43/14/22/384431422.db2.gz PFMNRXUAOQTNAM-BXUZGUMPSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC2(C)C)o1 ZINC000556585854 384431060 /nfs/dbraw/zinc/43/10/60/384431060.db2.gz PFMNRXUAOQTNAM-FZMZJTMJSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC2(C)C)o1 ZINC000556585855 384432801 /nfs/dbraw/zinc/43/28/01/384432801.db2.gz PFMNRXUAOQTNAM-RISCZKNCSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC2(C)C)o1 ZINC000556585856 384431159 /nfs/dbraw/zinc/43/11/59/384431159.db2.gz PFMNRXUAOQTNAM-SMDDNHRTSA-N 1 0 235.371 3.687 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000556586001 384431225 /nfs/dbraw/zinc/43/12/25/384431225.db2.gz KFUOUGDVYPADMT-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000556586002 322916827 /nfs/dbraw/zinc/91/68/27/322916827.db2.gz KFUOUGDVYPADMT-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@H]1CCC1(C)C ZINC000556586374 384432936 /nfs/dbraw/zinc/43/29/36/384432936.db2.gz SOYGWIJDRLWANK-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1OCCC[NH2+][C@@H]1CCC1(C)C ZINC000556586375 384432763 /nfs/dbraw/zinc/43/27/63/384432763.db2.gz SOYGWIJDRLWANK-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCC1(C)C ZINC000556586433 322916774 /nfs/dbraw/zinc/91/67/74/322916774.db2.gz UILGNWXMBVIDHF-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC1(C)C ZINC000556586435 322916636 /nfs/dbraw/zinc/91/66/36/322916636.db2.gz UILGNWXMBVIDHF-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC1(C)C ZINC000556586437 384432163 /nfs/dbraw/zinc/43/21/63/384432163.db2.gz UILGNWXMBVIDHF-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H]1CCC1(C)C ZINC000556586438 384432367 /nfs/dbraw/zinc/43/23/67/384432367.db2.gz UILGNWXMBVIDHF-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000556586703 384432958 /nfs/dbraw/zinc/43/29/58/384432958.db2.gz RISUGCHZPNZUKJ-CZPYZCIJSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000556586705 322916828 /nfs/dbraw/zinc/91/68/28/322916828.db2.gz RISUGCHZPNZUKJ-NOXHYTERSA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000556586706 322916826 /nfs/dbraw/zinc/91/68/26/322916826.db2.gz RISUGCHZPNZUKJ-UAXWRAGISA-N 1 0 247.382 3.575 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000556586707 322916779 /nfs/dbraw/zinc/91/67/79/322916779.db2.gz RISUGCHZPNZUKJ-YXAMBPQSSA-N 1 0 247.382 3.575 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC1(C)C ZINC000556586856 384433009 /nfs/dbraw/zinc/43/30/09/384433009.db2.gz XJDSBMOEHZYONK-CABCVRRESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC1(C)C ZINC000556586857 384432998 /nfs/dbraw/zinc/43/29/98/384432998.db2.gz XJDSBMOEHZYONK-GJZGRUSLSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC1(C)C ZINC000556586858 322916782 /nfs/dbraw/zinc/91/67/82/322916782.db2.gz XJDSBMOEHZYONK-HUUCEWRRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC1(C)C ZINC000556586859 384432514 /nfs/dbraw/zinc/43/25/14/384432514.db2.gz XJDSBMOEHZYONK-LSDHHAIUSA-N 1 0 229.367 3.761 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+]C1CC(CC)C1)OC ZINC000556587048 322916616 /nfs/dbraw/zinc/91/66/16/322916616.db2.gz ZMAISTVXMGGKHN-PESDSKBTSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+]C1CC(CC)C1)OC ZINC000556587049 322916734 /nfs/dbraw/zinc/91/67/34/322916734.db2.gz ZMAISTVXMGGKHN-ZALBZXLWSA-N 1 0 241.419 3.606 20 0 BHADRO CCC1CC([NH2+]CCCOC2CCCCC2)C1 ZINC000556589935 487711981 /nfs/dbraw/zinc/71/19/81/487711981.db2.gz RFFLBSGGDYKWEZ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)Cc1ccoc1)C(C)C ZINC000556599515 322916973 /nfs/dbraw/zinc/91/69/73/322916973.db2.gz URKISFZDDXFQGL-CYBMUJFWSA-N 1 0 237.387 3.728 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)Cc1ccoc1)C(C)C ZINC000556599516 398044535 /nfs/dbraw/zinc/04/45/35/398044535.db2.gz URKISFZDDXFQGL-ZDUSSCGKSA-N 1 0 237.387 3.728 20 0 BHADRO CC[N@H+](Cc1ccc(C)c(OC)c1)C1CCCC1 ZINC000556617853 384439320 /nfs/dbraw/zinc/43/93/20/384439320.db2.gz DYFMGFYPYPKSID-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C2CCCC2)o1 ZINC000556618244 384438889 /nfs/dbraw/zinc/43/88/89/384438889.db2.gz JOUWPPWQTDEXSP-UHFFFAOYSA-N 1 0 221.344 3.607 20 0 BHADRO CC[N@H+](Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC000556619131 384438735 /nfs/dbraw/zinc/43/87/35/384438735.db2.gz NOPKEIVXXVDSLJ-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO Cc1sccc1C[N@@H+](CC1CC1)C(C)C ZINC000556800527 384487127 /nfs/dbraw/zinc/48/71/27/384487127.db2.gz SHBODICZFOODMM-UHFFFAOYSA-N 1 0 223.385 3.677 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000556804760 384492485 /nfs/dbraw/zinc/49/24/85/384492485.db2.gz BFNPOQVKHUGAPS-DLBZAZTESA-N 1 0 243.394 3.911 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000556804765 384491367 /nfs/dbraw/zinc/49/13/67/384491367.db2.gz BFNPOQVKHUGAPS-IAGOWNOFSA-N 1 0 243.394 3.911 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000556804766 384492195 /nfs/dbraw/zinc/49/21/95/384492195.db2.gz BFNPOQVKHUGAPS-IRXDYDNUSA-N 1 0 243.394 3.911 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000556804767 384493040 /nfs/dbraw/zinc/49/30/40/384493040.db2.gz BFNPOQVKHUGAPS-SJORKVTESA-N 1 0 243.394 3.911 20 0 BHADRO Cc1ccccc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000556811840 322926136 /nfs/dbraw/zinc/92/61/36/322926136.db2.gz UVGABIYISLXVKV-HNNXBMFYSA-N 1 0 215.340 3.583 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556811841 322926124 /nfs/dbraw/zinc/92/61/24/322926124.db2.gz UVGABIYISLXVKV-OAHLLOKOSA-N 1 0 215.340 3.583 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000556811852 322926086 /nfs/dbraw/zinc/92/60/86/322926086.db2.gz YOKFFUSBLBMYSY-KBPBESRZSA-N 1 0 233.355 3.689 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000556811853 322926253 /nfs/dbraw/zinc/92/62/53/322926253.db2.gz YOKFFUSBLBMYSY-KGLIPLIRSA-N 1 0 233.355 3.689 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000556811854 322926310 /nfs/dbraw/zinc/92/63/10/322926310.db2.gz YOKFFUSBLBMYSY-UONOGXRCSA-N 1 0 233.355 3.689 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000556811855 322926189 /nfs/dbraw/zinc/92/61/89/322926189.db2.gz YOKFFUSBLBMYSY-ZIAGYGMSSA-N 1 0 233.355 3.689 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000556813627 384503729 /nfs/dbraw/zinc/50/37/29/384503729.db2.gz DCXKDPPXGSNYDI-DOMZBBRYSA-N 1 0 235.346 3.744 20 0 BHADRO C[C@@H](F)CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000556813628 384501824 /nfs/dbraw/zinc/50/18/24/384501824.db2.gz DCXKDPPXGSNYDI-IUODEOHRSA-N 1 0 235.346 3.744 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000556813629 384502055 /nfs/dbraw/zinc/50/20/55/384502055.db2.gz DCXKDPPXGSNYDI-SWLSCSKDSA-N 1 0 235.346 3.744 20 0 BHADRO C[C@H](F)CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000556813630 384502139 /nfs/dbraw/zinc/50/21/39/384502139.db2.gz DCXKDPPXGSNYDI-WFASDCNBSA-N 1 0 235.346 3.744 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000556813777 384502655 /nfs/dbraw/zinc/50/26/55/384502655.db2.gz QHZYQZBJYRSNLC-FQUUOJAGSA-N 1 0 227.367 3.635 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000556813781 384501879 /nfs/dbraw/zinc/50/18/79/384501879.db2.gz QHZYQZBJYRSNLC-IGQOVBAYSA-N 1 0 227.367 3.635 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000556813782 384503323 /nfs/dbraw/zinc/50/33/23/384503323.db2.gz QHZYQZBJYRSNLC-XDQVBPFNSA-N 1 0 227.367 3.635 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000556813783 384502714 /nfs/dbraw/zinc/50/27/14/384502714.db2.gz QHZYQZBJYRSNLC-XUXIUFHCSA-N 1 0 227.367 3.635 20 0 BHADRO CCC[N@H+](CCCCF)Cc1ccc(C)cc1 ZINC000556814824 384505516 /nfs/dbraw/zinc/50/55/16/384505516.db2.gz FRWHHKCPZUVBTA-UHFFFAOYSA-N 1 0 237.362 3.957 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000556816655 322926894 /nfs/dbraw/zinc/92/68/94/322926894.db2.gz JZMUWYICYPHBAA-GXTWGEPZSA-N 1 0 231.339 3.745 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1 ZINC000556816656 322926752 /nfs/dbraw/zinc/92/67/52/322926752.db2.gz JZMUWYICYPHBAA-JSGCOSHPSA-N 1 0 231.339 3.745 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCCc3occc32)CC1 ZINC000556816657 322926761 /nfs/dbraw/zinc/92/67/61/322926761.db2.gz JZMUWYICYPHBAA-OCCSQVGLSA-N 1 0 231.339 3.745 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000556816658 322926756 /nfs/dbraw/zinc/92/67/56/322926756.db2.gz JZMUWYICYPHBAA-TZMCWYRMSA-N 1 0 231.339 3.745 20 0 BHADRO CC1=CC[C@H]([NH2+]C2CCCCCC2)CC1 ZINC000556816860 384503420 /nfs/dbraw/zinc/50/34/20/384503420.db2.gz RQDXTGDFABLWBF-AWEZNQCLSA-N 1 0 207.361 3.798 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2CCCCCC2)CC1 ZINC000556816861 384501804 /nfs/dbraw/zinc/50/18/04/384501804.db2.gz RQDXTGDFABLWBF-CQSZACIVSA-N 1 0 207.361 3.798 20 0 BHADRO CC1=CC[C@H]([NH2+]CCc2ccccc2Cl)CC1 ZINC000556817942 384505678 /nfs/dbraw/zinc/50/56/78/384505678.db2.gz KYGSVYREEHJVDR-AWEZNQCLSA-N 1 0 249.785 3.971 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCc2ccccc2Cl)CC1 ZINC000556817943 384505378 /nfs/dbraw/zinc/50/53/78/384505378.db2.gz KYGSVYREEHJVDR-CQSZACIVSA-N 1 0 249.785 3.971 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000556822186 384509683 /nfs/dbraw/zinc/50/96/83/384509683.db2.gz WWRWWZZSRWNLIS-IHRRRGAJSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000556822187 384509685 /nfs/dbraw/zinc/50/96/85/384509685.db2.gz WWRWWZZSRWNLIS-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC000556822268 384509487 /nfs/dbraw/zinc/50/94/87/384509487.db2.gz GRVBLJXHGYZQTD-CDVVCGDMSA-N 1 0 227.351 3.788 20 0 BHADRO CC1=CC[C@@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC000556822269 384509546 /nfs/dbraw/zinc/50/95/46/384509546.db2.gz GRVBLJXHGYZQTD-KQQSKNTNSA-N 1 0 227.351 3.788 20 0 BHADRO CC1=CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC000556822270 384509480 /nfs/dbraw/zinc/50/94/80/384509480.db2.gz GRVBLJXHGYZQTD-SBSDFTTDSA-N 1 0 227.351 3.788 20 0 BHADRO CC1=CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC000556822271 322927873 /nfs/dbraw/zinc/92/78/73/322927873.db2.gz GRVBLJXHGYZQTD-WHWKNOJMSA-N 1 0 227.351 3.788 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000556832199 343591018 /nfs/dbraw/zinc/59/10/18/343591018.db2.gz YZMGHHMMIZPWMA-CHWSQXEVSA-N 1 0 241.444 3.853 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000556832200 343591020 /nfs/dbraw/zinc/59/10/20/343591020.db2.gz YZMGHHMMIZPWMA-OLZOCXBDSA-N 1 0 241.444 3.853 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000556832201 343590945 /nfs/dbraw/zinc/59/09/45/343590945.db2.gz YZMGHHMMIZPWMA-QWHCGFSZSA-N 1 0 241.444 3.853 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000556832202 343590651 /nfs/dbraw/zinc/59/06/51/343590651.db2.gz YZMGHHMMIZPWMA-STQMWFEESA-N 1 0 241.444 3.853 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000556833878 384516158 /nfs/dbraw/zinc/51/61/58/384516158.db2.gz RJMUMCSQGFENQS-INIZCTEOSA-N 1 0 247.357 3.765 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000556833879 322928248 /nfs/dbraw/zinc/92/82/48/322928248.db2.gz RJMUMCSQGFENQS-MRXNPFEDSA-N 1 0 247.357 3.765 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@@H]2CC=C(C)CC2)c1 ZINC000556833888 322928374 /nfs/dbraw/zinc/92/83/74/322928374.db2.gz UVMAPKTVZYHTIK-CYBMUJFWSA-N 1 0 216.328 3.609 20 0 BHADRO Cc1cc(C)[nH+]c(N[C@H]2CC=C(C)CC2)c1 ZINC000556833889 322928324 /nfs/dbraw/zinc/92/83/24/322928324.db2.gz UVMAPKTVZYHTIK-ZDUSSCGKSA-N 1 0 216.328 3.609 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000556833904 322928329 /nfs/dbraw/zinc/92/83/29/322928329.db2.gz XKGNSXAUDBYRSP-CVEARBPZSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000556833905 384515251 /nfs/dbraw/zinc/51/52/51/384515251.db2.gz XKGNSXAUDBYRSP-HOTGVXAUSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000556833906 322928373 /nfs/dbraw/zinc/92/83/73/322928373.db2.gz XKGNSXAUDBYRSP-HZPDHXFCSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000556833907 384515956 /nfs/dbraw/zinc/51/59/56/384515956.db2.gz XKGNSXAUDBYRSP-JKSUJKDBSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC23CCC(CC2)C3)CC1 ZINC000556834330 384515560 /nfs/dbraw/zinc/51/55/60/384515560.db2.gz MVVSDHGWOXZZGG-SHARSMKWSA-N 1 0 219.372 3.655 20 0 BHADRO CC1=CC[C@H]([NH2+]CC23CCC(CC2)C3)CC1 ZINC000556834337 322928277 /nfs/dbraw/zinc/92/82/77/322928277.db2.gz MVVSDHGWOXZZGG-SLTAFYQDSA-N 1 0 219.372 3.655 20 0 BHADRO c1cc2cc(C[NH2+]CCCC3CC3)ccc2o1 ZINC000556837281 322928270 /nfs/dbraw/zinc/92/82/70/322928270.db2.gz AMHUQQIVWJTNBD-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO CC1([NH2+]C/C=C/c2ccc(F)c(F)c2)CCC1 ZINC000556837622 384520287 /nfs/dbraw/zinc/52/02/87/384520287.db2.gz JTHQBHANLBYLLT-DUXPYHPUSA-N 1 0 237.293 3.510 20 0 BHADRO CC1([NH2+]C/C=C\c2ccc(F)c(F)c2)CCC1 ZINC000556837623 384521648 /nfs/dbraw/zinc/52/16/48/384521648.db2.gz JTHQBHANLBYLLT-RQOWECAXSA-N 1 0 237.293 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC000556845986 384523729 /nfs/dbraw/zinc/52/37/29/384523729.db2.gz YJWFXGQOQLPENT-CYBMUJFWSA-N 1 0 207.361 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC000556845988 322928820 /nfs/dbraw/zinc/92/88/20/322928820.db2.gz YJWFXGQOQLPENT-ZDUSSCGKSA-N 1 0 207.361 3.511 20 0 BHADRO Cc1cc(Cl)cc(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000556853731 322929064 /nfs/dbraw/zinc/92/90/64/322929064.db2.gz JPZTWJDHOSBOTB-GHMZBOCLSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1cc(Cl)cc(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000556853733 322929088 /nfs/dbraw/zinc/92/90/88/322929088.db2.gz JPZTWJDHOSBOTB-QWRGUYRKSA-N 1 0 223.747 3.631 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000556859084 384535364 /nfs/dbraw/zinc/53/53/64/384535364.db2.gz WXKXOHZSHJCLJG-AWEZNQCLSA-N 1 0 244.382 3.931 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000556859087 322929212 /nfs/dbraw/zinc/92/92/12/322929212.db2.gz WXKXOHZSHJCLJG-CQSZACIVSA-N 1 0 244.382 3.931 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000556860488 322929396 /nfs/dbraw/zinc/92/93/96/322929396.db2.gz JCUBGMTWDYQBJV-BPUTZDHNSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000556860489 384538472 /nfs/dbraw/zinc/53/84/72/384538472.db2.gz JCUBGMTWDYQBJV-CWRNSKLLSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000556860490 322929325 /nfs/dbraw/zinc/92/93/25/322929325.db2.gz JCUBGMTWDYQBJV-IMJJTQAJSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000556860491 384540874 /nfs/dbraw/zinc/54/08/74/384540874.db2.gz JCUBGMTWDYQBJV-NUEKZKHPSA-N 1 0 247.357 3.837 20 0 BHADRO CC[C@@H](C[N@@H+]1CCSC[C@@H]1C)c1ccccc1 ZINC000556866635 384556152 /nfs/dbraw/zinc/55/61/52/384556152.db2.gz DPBOQRUSHCSTLU-KBPBESRZSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@@H](C[N@@H+]1CCSC[C@H]1C)c1ccccc1 ZINC000556866636 384556769 /nfs/dbraw/zinc/55/67/69/384556769.db2.gz DPBOQRUSHCSTLU-KGLIPLIRSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@H](C[N@@H+]1CCSC[C@@H]1C)c1ccccc1 ZINC000556866637 384558485 /nfs/dbraw/zinc/55/84/85/384558485.db2.gz DPBOQRUSHCSTLU-UONOGXRCSA-N 1 0 249.423 3.618 20 0 BHADRO CC[C@H](C[N@@H+]1CCSC[C@H]1C)c1ccccc1 ZINC000556866638 384556623 /nfs/dbraw/zinc/55/66/23/384556623.db2.gz DPBOQRUSHCSTLU-ZIAGYGMSSA-N 1 0 249.423 3.618 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000556867686 322929626 /nfs/dbraw/zinc/92/96/26/322929626.db2.gz IDMGMMNLXJUASV-CHWSQXEVSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000556867693 384560569 /nfs/dbraw/zinc/56/05/69/384560569.db2.gz IDMGMMNLXJUASV-OLZOCXBDSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000556867694 384560315 /nfs/dbraw/zinc/56/03/15/384560315.db2.gz IDMGMMNLXJUASV-QWHCGFSZSA-N 1 0 237.391 3.667 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000556867695 384560746 /nfs/dbraw/zinc/56/07/46/384560746.db2.gz IDMGMMNLXJUASV-STQMWFEESA-N 1 0 237.391 3.667 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CC=C(C)CC1 ZINC000556868575 322929779 /nfs/dbraw/zinc/92/97/79/322929779.db2.gz SKXDGFNIVYTFTE-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000556868576 384565472 /nfs/dbraw/zinc/56/54/72/384565472.db2.gz SKXDGFNIVYTFTE-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000556868630 384565198 /nfs/dbraw/zinc/56/51/98/384565198.db2.gz UPDKABBPDCAYLA-CVEARBPZSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000556868631 384563942 /nfs/dbraw/zinc/56/39/42/384563942.db2.gz UPDKABBPDCAYLA-HOTGVXAUSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000556868632 322929777 /nfs/dbraw/zinc/92/97/77/322929777.db2.gz UPDKABBPDCAYLA-HZPDHXFCSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000556868633 384564076 /nfs/dbraw/zinc/56/40/76/384564076.db2.gz UPDKABBPDCAYLA-JKSUJKDBSA-N 1 0 249.373 3.783 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000556869677 322929784 /nfs/dbraw/zinc/92/97/84/322929784.db2.gz JUEPYSUJPXIZDU-AGIUHOORSA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([C@H](C)[NH2+][C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000556869681 384566805 /nfs/dbraw/zinc/56/68/05/384566805.db2.gz JUEPYSUJPXIZDU-AVGNSLFASA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@@H](C)C1CCCCC1 ZINC000556869682 384569440 /nfs/dbraw/zinc/56/94/40/384569440.db2.gz JUEPYSUJPXIZDU-UPJWGTAASA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@H](C)C1CCCCC1 ZINC000556869684 322929745 /nfs/dbraw/zinc/92/97/45/322929745.db2.gz JUEPYSUJPXIZDU-XQQFMLRXSA-N 1 0 249.402 3.665 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000556870995 322929800 /nfs/dbraw/zinc/92/98/00/322929800.db2.gz QIJDOBIBUVSOLG-CVEARBPZSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000556870999 384564442 /nfs/dbraw/zinc/56/44/42/384564442.db2.gz QIJDOBIBUVSOLG-HOTGVXAUSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000556871000 322929731 /nfs/dbraw/zinc/92/97/31/322929731.db2.gz QIJDOBIBUVSOLG-HZPDHXFCSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000556871002 322929728 /nfs/dbraw/zinc/92/97/28/322929728.db2.gz QIJDOBIBUVSOLG-JKSUJKDBSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000556873787 384581667 /nfs/dbraw/zinc/58/16/67/384581667.db2.gz VBKRZAUQAVGKRV-CVEARBPZSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000556873788 384583186 /nfs/dbraw/zinc/58/31/86/384583186.db2.gz VBKRZAUQAVGKRV-HOTGVXAUSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000556873790 322929918 /nfs/dbraw/zinc/92/99/18/322929918.db2.gz VBKRZAUQAVGKRV-HZPDHXFCSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000556873792 322929925 /nfs/dbraw/zinc/92/99/25/322929925.db2.gz VBKRZAUQAVGKRV-JKSUJKDBSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CCCC(C)(C)C)c1 ZINC000556876777 384587774 /nfs/dbraw/zinc/58/77/74/384587774.db2.gz BJECZHGWBXJPAX-CYBMUJFWSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CCCC(C)(C)C)c1 ZINC000556876788 322930107 /nfs/dbraw/zinc/93/01/07/322930107.db2.gz BJECZHGWBXJPAX-ZDUSSCGKSA-N 1 0 234.387 3.867 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556876892 384587692 /nfs/dbraw/zinc/58/76/92/384587692.db2.gz IYCYSSLTBXKFAC-LUKYLMHMSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556876894 384587911 /nfs/dbraw/zinc/58/79/11/384587911.db2.gz IYCYSSLTBXKFAC-QAETUUGQSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556876896 384586542 /nfs/dbraw/zinc/58/65/42/384586542.db2.gz IYCYSSLTBXKFAC-QBPKDAKJSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000556876899 384585424 /nfs/dbraw/zinc/58/54/24/384585424.db2.gz IYCYSSLTBXKFAC-VQHPVUNQSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCCC1)c1ncc[nH]1 ZINC000556883032 384597136 /nfs/dbraw/zinc/59/71/36/384597136.db2.gz AKABNDMURFMAAH-GFCCVEGCSA-N 1 0 249.402 3.667 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCCC1)c1ncc[nH]1 ZINC000556883034 322930114 /nfs/dbraw/zinc/93/01/14/322930114.db2.gz AKABNDMURFMAAH-LBPRGKRZSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000556883476 384598537 /nfs/dbraw/zinc/59/85/37/384598537.db2.gz GOWSLRBXXVNXCD-HNNXBMFYSA-N 1 0 217.356 3.522 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000556883477 384596979 /nfs/dbraw/zinc/59/69/79/384596979.db2.gz GOWSLRBXXVNXCD-OAHLLOKOSA-N 1 0 217.356 3.522 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556883553 384598608 /nfs/dbraw/zinc/59/86/08/384598608.db2.gz KBAZOEVGHIBRQD-BBRMVZONSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556883554 384598500 /nfs/dbraw/zinc/59/85/00/384598500.db2.gz KBAZOEVGHIBRQD-CJNGLKHVSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556883556 384596733 /nfs/dbraw/zinc/59/67/33/384596733.db2.gz KBAZOEVGHIBRQD-CZUORRHYSA-N 1 0 231.383 3.816 20 0 BHADRO CC[C@H](C)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556883557 384599480 /nfs/dbraw/zinc/59/94/80/384599480.db2.gz KBAZOEVGHIBRQD-XJKSGUPXSA-N 1 0 231.383 3.816 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000556883677 384599443 /nfs/dbraw/zinc/59/94/43/384599443.db2.gz HCBHPTGPVFDQFX-CABCVRRESA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000556883679 322930223 /nfs/dbraw/zinc/93/02/23/322930223.db2.gz HCBHPTGPVFDQFX-GJZGRUSLSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000556883681 322930119 /nfs/dbraw/zinc/93/01/19/322930119.db2.gz HCBHPTGPVFDQFX-HUUCEWRRSA-N 1 0 247.357 3.839 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000556884189 322930160 /nfs/dbraw/zinc/93/01/60/322930160.db2.gz HCBHPTGPVFDQFX-LSDHHAIUSA-N 1 0 247.357 3.839 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000556885873 384600929 /nfs/dbraw/zinc/60/09/29/384600929.db2.gz PZPIJFQVZPPLAL-BMFZPTHFSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000556885874 384600208 /nfs/dbraw/zinc/60/02/08/384600208.db2.gz PZPIJFQVZPPLAL-FVQBIDKESA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000556885875 384601936 /nfs/dbraw/zinc/60/19/36/384601936.db2.gz PZPIJFQVZPPLAL-KBMXLJTQSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000556885876 384601296 /nfs/dbraw/zinc/60/12/96/384601296.db2.gz PZPIJFQVZPPLAL-VNQPRFMTSA-N 1 0 229.367 3.522 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000556885879 384601862 /nfs/dbraw/zinc/60/18/62/384601862.db2.gz IUIYPTKZGBEOKT-LTIDMASMSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000556885880 322930176 /nfs/dbraw/zinc/93/01/76/322930176.db2.gz IUIYPTKZGBEOKT-LUKYLMHMSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000556885881 384601750 /nfs/dbraw/zinc/60/17/50/384601750.db2.gz IUIYPTKZGBEOKT-QAETUUGQSA-N 1 0 243.394 3.642 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000556885882 322930124 /nfs/dbraw/zinc/93/01/24/322930124.db2.gz IUIYPTKZGBEOKT-QZWWFDLISA-N 1 0 243.394 3.642 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000556886017 384602787 /nfs/dbraw/zinc/60/27/87/384602787.db2.gz ITGUTZRKXKVTSW-CVEARBPZSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000556886018 322930174 /nfs/dbraw/zinc/93/01/74/322930174.db2.gz ITGUTZRKXKVTSW-HOTGVXAUSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000556886019 322930173 /nfs/dbraw/zinc/93/01/73/322930173.db2.gz ITGUTZRKXKVTSW-HZPDHXFCSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000556886020 322930175 /nfs/dbraw/zinc/93/01/75/322930175.db2.gz ITGUTZRKXKVTSW-JKSUJKDBSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000556888774 384603497 /nfs/dbraw/zinc/60/34/97/384603497.db2.gz ANFWYBYIYVKMJM-APIJFGDWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000556888775 322930323 /nfs/dbraw/zinc/93/03/23/322930323.db2.gz ANFWYBYIYVKMJM-CBBWQLFWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000556888776 384604028 /nfs/dbraw/zinc/60/40/28/384604028.db2.gz ANFWYBYIYVKMJM-LJISPDSOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000556888777 322930310 /nfs/dbraw/zinc/93/03/10/322930310.db2.gz ANFWYBYIYVKMJM-ZQDZILKHSA-N 1 0 246.398 3.865 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000556894479 322930466 /nfs/dbraw/zinc/93/04/66/322930466.db2.gz QLFCBAHXZOFAHV-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000556894482 384618381 /nfs/dbraw/zinc/61/83/81/384618381.db2.gz QLFCBAHXZOFAHV-MNOVXSKESA-N 1 0 235.293 3.663 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000556894483 384616855 /nfs/dbraw/zinc/61/68/55/384616855.db2.gz QLFCBAHXZOFAHV-QWRGUYRKSA-N 1 0 235.293 3.663 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000556894484 322930424 /nfs/dbraw/zinc/93/04/24/322930424.db2.gz QLFCBAHXZOFAHV-WDEREUQCSA-N 1 0 235.293 3.663 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CC[C@H](CC)CC2)cn1 ZINC000556895283 384619292 /nfs/dbraw/zinc/61/92/92/384619292.db2.gz OEAJXHJHEIJBKN-SAZUREKKSA-N 1 0 246.398 3.702 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)CC1 ZINC000556895406 384617200 /nfs/dbraw/zinc/61/72/00/384617200.db2.gz SXHPIBVCOKNXGT-CTYIDZIISA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccc(C[NH2+]CC2(F)CC2)c2ccccc12 ZINC000556895629 384622767 /nfs/dbraw/zinc/62/27/67/384622767.db2.gz CZTWOMJYQYQYPH-UHFFFAOYSA-N 1 0 243.325 3.740 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000556895976 322930619 /nfs/dbraw/zinc/93/06/19/322930619.db2.gz VJGBZRPWKUYGEQ-DOMZBBRYSA-N 1 0 247.357 3.839 20 0 BHADRO COc1cc(C[NH2+]C(C)(C)C(C)(C)C)ccc1C ZINC000556897073 384625791 /nfs/dbraw/zinc/62/57/91/384625791.db2.gz HGIDNCFZTVHNGE-UHFFFAOYSA-N 1 0 249.398 3.918 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2ccnn2C(C)C)CC1 ZINC000556897365 384626153 /nfs/dbraw/zinc/62/61/53/384626153.db2.gz KSSBXWDCLCQDNW-HDJSIYSDSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@@H]1C ZINC000556897713 322930639 /nfs/dbraw/zinc/93/06/39/322930639.db2.gz OUPRJTIVNFDXIV-BTQDYEIMSA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@H]1C ZINC000556897715 322930580 /nfs/dbraw/zinc/93/05/80/322930580.db2.gz OUPRJTIVNFDXIV-DWZYQQQCSA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@@H]1C ZINC000556897716 384620972 /nfs/dbraw/zinc/62/09/72/384620972.db2.gz OUPRJTIVNFDXIV-FDEJFUCISA-N 1 0 229.367 3.931 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H]1C ZINC000556897718 384622659 /nfs/dbraw/zinc/62/26/59/384622659.db2.gz OUPRJTIVNFDXIV-LTZCYQRMSA-N 1 0 229.367 3.931 20 0 BHADRO CCC1CC([NH2+]Cc2ccc3[nH]c(C)cc3c2)C1 ZINC000556897745 384620966 /nfs/dbraw/zinc/62/09/66/384620966.db2.gz AZNYYZKHFZNUKI-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CC[N@H+](Cc1ccc(C)c(C)c1)C1CCC1 ZINC000556900635 384627781 /nfs/dbraw/zinc/62/77/81/384627781.db2.gz BIXZNDZPDPMHHM-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000556911336 384643697 /nfs/dbraw/zinc/64/36/97/384643697.db2.gz KUNOZGVHGAKXCZ-CHWSQXEVSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000556911337 322931011 /nfs/dbraw/zinc/93/10/11/322931011.db2.gz KUNOZGVHGAKXCZ-OLZOCXBDSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000556911338 384642654 /nfs/dbraw/zinc/64/26/54/384642654.db2.gz KUNOZGVHGAKXCZ-QWHCGFSZSA-N 1 0 247.382 3.709 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000556911339 322931007 /nfs/dbraw/zinc/93/10/07/322931007.db2.gz KUNOZGVHGAKXCZ-STQMWFEESA-N 1 0 247.382 3.709 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@H]1C ZINC000556912266 322931005 /nfs/dbraw/zinc/93/10/05/322931005.db2.gz MEQGZYICFWTLOF-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H]1C ZINC000556912270 322930993 /nfs/dbraw/zinc/93/09/93/322930993.db2.gz MEQGZYICFWTLOF-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H]1C ZINC000556912271 384642337 /nfs/dbraw/zinc/64/23/37/384642337.db2.gz MEQGZYICFWTLOF-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@@H]1C ZINC000556912272 322931064 /nfs/dbraw/zinc/93/10/64/322931064.db2.gz MEQGZYICFWTLOF-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000556912927 322931026 /nfs/dbraw/zinc/93/10/26/322931026.db2.gz WNQDELBNFRKFNR-BSWAZPDLSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000556912928 322931016 /nfs/dbraw/zinc/93/10/16/322931016.db2.gz WNQDELBNFRKFNR-IWCQGFGOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000556912929 322931012 /nfs/dbraw/zinc/93/10/12/322931012.db2.gz WNQDELBNFRKFNR-MXASKKJJSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000556912930 322931004 /nfs/dbraw/zinc/93/10/04/322931004.db2.gz WNQDELBNFRKFNR-SIXLDLHFSA-N 1 0 243.394 3.786 20 0 BHADRO CCCC(CCC)[NH2+]CCCc1cccc(C)n1 ZINC000556914653 384647069 /nfs/dbraw/zinc/64/70/69/384647069.db2.gz ABVPTOZXOWXUSW-UHFFFAOYSA-N 1 0 248.414 3.881 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000556914762 384646374 /nfs/dbraw/zinc/64/63/74/384646374.db2.gz NVKWGRXSDGOANV-CABCVRRESA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000556914765 322931210 /nfs/dbraw/zinc/93/12/10/322931210.db2.gz NVKWGRXSDGOANV-GJZGRUSLSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000556914767 384646218 /nfs/dbraw/zinc/64/62/18/384646218.db2.gz NVKWGRXSDGOANV-HUUCEWRRSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000556914769 384646527 /nfs/dbraw/zinc/64/65/27/384646527.db2.gz NVKWGRXSDGOANV-LSDHHAIUSA-N 1 0 245.341 3.735 20 0 BHADRO COc1cccc(C2([NH2+]C3CCCCC3)CC2)c1 ZINC000556915276 384645574 /nfs/dbraw/zinc/64/55/74/384645574.db2.gz GRGTUZPMHOEVFY-UHFFFAOYSA-N 1 0 245.366 3.607 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c1C ZINC000556923381 322931322 /nfs/dbraw/zinc/93/13/22/322931322.db2.gz BPRLFBQMLCXCSW-CORIIIEPSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c1C ZINC000556923384 322931311 /nfs/dbraw/zinc/93/13/11/322931311.db2.gz BPRLFBQMLCXCSW-OSAQELSMSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c1C ZINC000556923387 398054155 /nfs/dbraw/zinc/05/41/55/398054155.db2.gz BPRLFBQMLCXCSW-WHOFXGATSA-N 1 0 249.423 3.706 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c1C ZINC000556923389 398054248 /nfs/dbraw/zinc/05/42/48/398054248.db2.gz BPRLFBQMLCXCSW-ZLDLUXBVSA-N 1 0 249.423 3.706 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000556925939 384660015 /nfs/dbraw/zinc/66/00/15/384660015.db2.gz OCCBDVHHYILABT-GWKQRERASA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000556925940 384658273 /nfs/dbraw/zinc/65/82/73/384658273.db2.gz OCCBDVHHYILABT-IFCKCIONSA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000556925941 384657952 /nfs/dbraw/zinc/65/79/52/384657952.db2.gz OCCBDVHHYILABT-VWILAXROSA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000556925942 384658361 /nfs/dbraw/zinc/65/83/61/384658361.db2.gz OCCBDVHHYILABT-WKOYGUFESA-N 1 0 241.378 3.822 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000556926024 384658030 /nfs/dbraw/zinc/65/80/30/384658030.db2.gz SQSFPRNUXWYNCY-BGTMTDRBSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000556926025 384658908 /nfs/dbraw/zinc/65/89/08/384658908.db2.gz SQSFPRNUXWYNCY-DJYNDVHFSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C\C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000556926026 384658449 /nfs/dbraw/zinc/65/84/49/384658449.db2.gz SQSFPRNUXWYNCY-OYADATRGSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000556926027 384659114 /nfs/dbraw/zinc/65/91/14/384659114.db2.gz SQSFPRNUXWYNCY-YLSAJCSVSA-N 1 0 245.341 3.571 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@H](CC)c1ccccc1 ZINC000556928099 322931410 /nfs/dbraw/zinc/93/14/10/322931410.db2.gz ZBSOADQTWRRDNG-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000556928101 384658217 /nfs/dbraw/zinc/65/82/17/384658217.db2.gz ZBSOADQTWRRDNG-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC000556932707 322931417 /nfs/dbraw/zinc/93/14/17/322931417.db2.gz FZCPHOBCRLOETB-UHFFFAOYSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](F)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000556935514 384661140 /nfs/dbraw/zinc/66/11/40/384661140.db2.gz BPKRRHGAYPNZNZ-CHWSQXEVSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@H](CC[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000556935517 384662751 /nfs/dbraw/zinc/66/27/51/384662751.db2.gz BPKRRHGAYPNZNZ-OLZOCXBDSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H](F)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000556935518 384661374 /nfs/dbraw/zinc/66/13/74/384661374.db2.gz BPKRRHGAYPNZNZ-QWHCGFSZSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@H](F)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000556935519 322931557 /nfs/dbraw/zinc/93/15/57/322931557.db2.gz BPKRRHGAYPNZNZ-STQMWFEESA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H](F)CC[NH2+]CCC1CCCCCC1 ZINC000556937016 384662739 /nfs/dbraw/zinc/66/27/39/384662739.db2.gz UQBXZVWIGXSIFF-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H](F)CC[NH2+]CCC1CCCCCC1 ZINC000556937020 384663300 /nfs/dbraw/zinc/66/33/00/384663300.db2.gz UQBXZVWIGXSIFF-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO CC[C@@H](C[NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000556937254 384665453 /nfs/dbraw/zinc/66/54/53/384665453.db2.gz YMADBCSWQRAZQV-AWEZNQCLSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000556937255 322931558 /nfs/dbraw/zinc/93/15/58/322931558.db2.gz YMADBCSWQRAZQV-CQSZACIVSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000556950556 384679317 /nfs/dbraw/zinc/67/93/17/384679317.db2.gz CWPMYDPZPIYABP-DZGCQCFKSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000556950557 384679756 /nfs/dbraw/zinc/67/97/56/384679756.db2.gz CWPMYDPZPIYABP-HIFRSBDPSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@H](C[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000556950558 384678238 /nfs/dbraw/zinc/67/82/38/384678238.db2.gz CWPMYDPZPIYABP-UKRRQHHQSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](C[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000556950559 384678780 /nfs/dbraw/zinc/67/87/80/384678780.db2.gz CWPMYDPZPIYABP-ZFWWWQNUSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]1CF ZINC000556950571 384678692 /nfs/dbraw/zinc/67/86/92/384678692.db2.gz FCJSWYWDEIETQL-GDBMZVCRSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]1CF ZINC000556950572 384679219 /nfs/dbraw/zinc/67/92/19/384679219.db2.gz FCJSWYWDEIETQL-GOEBONIOSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]1CF ZINC000556950573 384678630 /nfs/dbraw/zinc/67/86/30/384678630.db2.gz FCJSWYWDEIETQL-HOCLYGCPSA-N 1 0 249.373 3.689 20 0 BHADRO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]1CF ZINC000556950574 384679439 /nfs/dbraw/zinc/67/94/39/384679439.db2.gz FCJSWYWDEIETQL-ZBFHGGJFSA-N 1 0 249.373 3.689 20 0 BHADRO CCCC[N@H+](Cc1cc[nH]n1)[C@@H]1CCC[C@H](C)C1 ZINC000556950783 384678256 /nfs/dbraw/zinc/67/82/56/384678256.db2.gz RCQBUIFRFWUJQQ-DZGCQCFKSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cc[nH]n1)[C@H]1CCC[C@@H](C)C1 ZINC000556950784 384679894 /nfs/dbraw/zinc/67/98/94/384679894.db2.gz RCQBUIFRFWUJQQ-HIFRSBDPSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cc[nH]n1)[C@@H]1CCC[C@@H](C)C1 ZINC000556950785 384678425 /nfs/dbraw/zinc/67/84/25/384678425.db2.gz RCQBUIFRFWUJQQ-UKRRQHHQSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cc[nH]n1)[C@H]1CCC[C@H](C)C1 ZINC000556950786 384677682 /nfs/dbraw/zinc/67/76/82/384677682.db2.gz RCQBUIFRFWUJQQ-ZFWWWQNUSA-N 1 0 249.402 3.591 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000556958573 384688002 /nfs/dbraw/zinc/68/80/02/384688002.db2.gz HUBWEGGJKJRQKL-GXTWGEPZSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000556958575 384687939 /nfs/dbraw/zinc/68/79/39/384687939.db2.gz HUBWEGGJKJRQKL-JSGCOSHPSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000556958579 384686953 /nfs/dbraw/zinc/68/69/53/384686953.db2.gz HUBWEGGJKJRQKL-OCCSQVGLSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000556958581 384686516 /nfs/dbraw/zinc/68/65/16/384686516.db2.gz HUBWEGGJKJRQKL-TZMCWYRMSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCOC(C)(C)C ZINC000556958604 384686972 /nfs/dbraw/zinc/68/69/72/384686972.db2.gz OYCHUGXJDJILGH-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000556959840 384692653 /nfs/dbraw/zinc/69/26/53/384692653.db2.gz GOPVIFPPFLNBES-CHWSQXEVSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000556959841 384694938 /nfs/dbraw/zinc/69/49/38/384694938.db2.gz GOPVIFPPFLNBES-OLZOCXBDSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000556959842 384694241 /nfs/dbraw/zinc/69/42/41/384694241.db2.gz GOPVIFPPFLNBES-QWHCGFSZSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccoc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000556959843 384693762 /nfs/dbraw/zinc/69/37/62/384693762.db2.gz GOPVIFPPFLNBES-STQMWFEESA-N 1 0 233.355 3.599 20 0 BHADRO CC1=CC[C@H]([NH2+]CCC(C)(C)C2CC2)CC1 ZINC000556961930 384699984 /nfs/dbraw/zinc/69/99/84/384699984.db2.gz RRHSKKIYGQFGHE-AWEZNQCLSA-N 1 0 221.388 3.901 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCC(C)(C)C2CC2)CC1 ZINC000556961933 322932368 /nfs/dbraw/zinc/93/23/68/322932368.db2.gz RRHSKKIYGQFGHE-CQSZACIVSA-N 1 0 221.388 3.901 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000556965837 322932582 /nfs/dbraw/zinc/93/25/82/322932582.db2.gz OXMGIVVJPFQROX-CVEARBPZSA-N 1 0 249.373 3.833 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)nc1 ZINC000557025956 384754345 /nfs/dbraw/zinc/75/43/45/384754345.db2.gz VRKDRBISXMIOBM-CYBMUJFWSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)nc1 ZINC000557025957 384753393 /nfs/dbraw/zinc/75/33/93/384753393.db2.gz VRKDRBISXMIOBM-ZDUSSCGKSA-N 1 0 246.398 3.512 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000557038774 322933568 /nfs/dbraw/zinc/93/35/68/322933568.db2.gz ZZXCDJHWGDULDY-JTQLQIEISA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000557038778 384762859 /nfs/dbraw/zinc/76/28/59/384762859.db2.gz ZZXCDJHWGDULDY-SNVBAGLBSA-N 1 0 239.309 3.804 20 0 BHADRO CCc1nocc1C[NH2+]CCC1=CCCCCC1 ZINC000557038918 384762124 /nfs/dbraw/zinc/76/21/24/384762124.db2.gz PZMUJXQRWOIABS-UHFFFAOYSA-N 1 0 248.370 3.607 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000557040809 322933567 /nfs/dbraw/zinc/93/35/67/322933567.db2.gz XLIQZEMXJWCAKI-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000557046679 384769315 /nfs/dbraw/zinc/76/93/15/384769315.db2.gz XHODTSPBOGMVNE-NXEZZACHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000557046681 384770563 /nfs/dbraw/zinc/77/05/63/384770563.db2.gz XHODTSPBOGMVNE-UWVGGRQHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000557046682 384769924 /nfs/dbraw/zinc/76/99/24/384769924.db2.gz XHODTSPBOGMVNE-VHSXEESVSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000557046684 384768701 /nfs/dbraw/zinc/76/87/01/384768701.db2.gz XHODTSPBOGMVNE-ZJUUUORDSA-N 1 0 243.272 3.546 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000557084252 384803736 /nfs/dbraw/zinc/80/37/36/384803736.db2.gz NJXHLMXYSXIBPW-HNNXBMFYSA-N 1 0 249.398 3.570 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000557084253 384802822 /nfs/dbraw/zinc/80/28/22/384802822.db2.gz NJXHLMXYSXIBPW-OAHLLOKOSA-N 1 0 249.398 3.570 20 0 BHADRO CCC[N@H+](Cc1ccc(C)cc1)C(C)C ZINC000557202488 384881321 /nfs/dbraw/zinc/88/13/21/384881321.db2.gz USYIPGOWJOBZIS-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO C[C@@H](C[C@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000557245896 322935560 /nfs/dbraw/zinc/93/55/60/322935560.db2.gz CKZWCZOSMUGRQX-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](C[C@@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000557245898 384892867 /nfs/dbraw/zinc/89/28/67/384892867.db2.gz CKZWCZOSMUGRQX-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](C[C@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000557245899 384894586 /nfs/dbraw/zinc/89/45/86/384894586.db2.gz CKZWCZOSMUGRQX-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](C[C@@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000557245901 322935592 /nfs/dbraw/zinc/93/55/92/322935592.db2.gz CKZWCZOSMUGRQX-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000557255701 491116707 /nfs/dbraw/zinc/11/67/07/491116707.db2.gz QMBSLGRMWSQTFF-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000557255703 491116740 /nfs/dbraw/zinc/11/67/40/491116740.db2.gz QMBSLGRMWSQTFF-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO CC1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000557259206 398067283 /nfs/dbraw/zinc/06/72/83/398067283.db2.gz NLKBZJNQWNGFCP-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)[C@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000557261667 384899633 /nfs/dbraw/zinc/89/96/33/384899633.db2.gz FCZXRLIMCVVEQC-INIZCTEOSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000557261671 384898439 /nfs/dbraw/zinc/89/84/39/384898439.db2.gz FCZXRLIMCVVEQC-MRXNPFEDSA-N 1 0 231.383 3.786 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000557261802 384898410 /nfs/dbraw/zinc/89/84/10/384898410.db2.gz GFCUVTGHEKJBTR-OAGGEKHMSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000557261803 384897819 /nfs/dbraw/zinc/89/78/19/384897819.db2.gz GFCUVTGHEKJBTR-PMPSAXMXSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000557261804 384899563 /nfs/dbraw/zinc/89/95/63/384899563.db2.gz GFCUVTGHEKJBTR-XHSDSOJGSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1cnccn1 ZINC000557264252 384899343 /nfs/dbraw/zinc/89/93/43/384899343.db2.gz WVSBYEFEFMKCKT-CYBMUJFWSA-N 1 0 249.402 3.588 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1cnccn1 ZINC000557264253 384899155 /nfs/dbraw/zinc/89/91/55/384899155.db2.gz WVSBYEFEFMKCKT-ZDUSSCGKSA-N 1 0 249.402 3.588 20 0 BHADRO CC1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000557270042 322935951 /nfs/dbraw/zinc/93/59/51/322935951.db2.gz MYXBLXDJMWPONR-HNNXBMFYSA-N 1 0 229.367 3.918 20 0 BHADRO CC1(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000557270043 384902558 /nfs/dbraw/zinc/90/25/58/384902558.db2.gz MYXBLXDJMWPONR-OAHLLOKOSA-N 1 0 229.367 3.918 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCc2cc(C)ccc21)C1CC1 ZINC000557272440 322935814 /nfs/dbraw/zinc/93/58/14/322935814.db2.gz MAMCCLJHDYGANM-CVEARBPZSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCc2cc(C)ccc21)C1CC1 ZINC000557272443 384899226 /nfs/dbraw/zinc/89/92/26/384899226.db2.gz MAMCCLJHDYGANM-HOTGVXAUSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C)ccc21)C1CC1 ZINC000557272444 384899234 /nfs/dbraw/zinc/89/92/34/384899234.db2.gz MAMCCLJHDYGANM-HZPDHXFCSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCc2cc(C)ccc21)C1CC1 ZINC000557272447 384898904 /nfs/dbraw/zinc/89/89/04/384898904.db2.gz MAMCCLJHDYGANM-JKSUJKDBSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CCC1 ZINC000557334182 322936385 /nfs/dbraw/zinc/93/63/85/322936385.db2.gz MFTANVKLAXIRRY-CXAGYDPISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CCC1 ZINC000557334186 322936506 /nfs/dbraw/zinc/93/65/06/322936506.db2.gz MFTANVKLAXIRRY-DYVFJYSZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CCC1 ZINC000557334188 322936384 /nfs/dbraw/zinc/93/63/84/322936384.db2.gz MFTANVKLAXIRRY-GUYCJALGSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CCC1 ZINC000557334190 322936390 /nfs/dbraw/zinc/93/63/90/322936390.db2.gz MFTANVKLAXIRRY-SUMWQHHRSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000557336420 384914812 /nfs/dbraw/zinc/91/48/12/384914812.db2.gz RRZQIWXKJOPMFQ-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000557336421 384913919 /nfs/dbraw/zinc/91/39/19/384913919.db2.gz RRZQIWXKJOPMFQ-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000557336422 384914226 /nfs/dbraw/zinc/91/42/26/384914226.db2.gz RRZQIWXKJOPMFQ-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000557336423 384914609 /nfs/dbraw/zinc/91/46/09/384914609.db2.gz RRZQIWXKJOPMFQ-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO CSCCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000557340486 384915635 /nfs/dbraw/zinc/91/56/35/384915635.db2.gz SFNIBRVDGXPQOL-UHFFFAOYSA-N 1 0 249.423 3.533 20 0 BHADRO COC[C@@H](C)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000557343353 384913782 /nfs/dbraw/zinc/91/37/82/384913782.db2.gz OZONMJBQSBJMPK-CABCVRRESA-N 1 0 241.419 3.631 20 0 BHADRO COC[C@@H](C)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000557343354 322936629 /nfs/dbraw/zinc/93/66/29/322936629.db2.gz OZONMJBQSBJMPK-GJZGRUSLSA-N 1 0 241.419 3.631 20 0 BHADRO COC[C@H](C)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000557343357 322936618 /nfs/dbraw/zinc/93/66/18/322936618.db2.gz OZONMJBQSBJMPK-HUUCEWRRSA-N 1 0 241.419 3.631 20 0 BHADRO COC[C@H](C)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000557343359 322936630 /nfs/dbraw/zinc/93/66/30/322936630.db2.gz OZONMJBQSBJMPK-LSDHHAIUSA-N 1 0 241.419 3.631 20 0 BHADRO Cc1ccc(SCC[NH+]2CCC(C)CC2)cc1 ZINC000557362428 384916823 /nfs/dbraw/zinc/91/68/23/384916823.db2.gz IYCAERMJRDFWFE-UHFFFAOYSA-N 1 0 249.423 3.819 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C)CC1)c1cccnc1 ZINC000557384579 384925419 /nfs/dbraw/zinc/92/54/19/384925419.db2.gz XZIDTASJOWAGMS-BPUTZDHNSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)c1cccnc1 ZINC000557384580 384925356 /nfs/dbraw/zinc/92/53/56/384925356.db2.gz XZIDTASJOWAGMS-FVQBIDKESA-N 1 0 246.398 3.947 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CCCCF)C2)cc1 ZINC000557385316 384925121 /nfs/dbraw/zinc/92/51/21/384925121.db2.gz RZOGGQBYBXNSDA-HNNXBMFYSA-N 1 0 235.346 3.534 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CCCCF)C2)cc1 ZINC000557385317 384925693 /nfs/dbraw/zinc/92/56/93/384925693.db2.gz RZOGGQBYBXNSDA-OAHLLOKOSA-N 1 0 235.346 3.534 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C(C)C)CC1 ZINC000557395549 322937024 /nfs/dbraw/zinc/93/70/24/322937024.db2.gz NSQNXYVCDYHXDY-KBPBESRZSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C(C)C)CC1 ZINC000557395554 322936955 /nfs/dbraw/zinc/93/69/55/322936955.db2.gz NSQNXYVCDYHXDY-KGLIPLIRSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C(C)C)CC1 ZINC000557395557 322936957 /nfs/dbraw/zinc/93/69/57/322936957.db2.gz NSQNXYVCDYHXDY-UONOGXRCSA-N 1 0 221.388 3.757 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C(C)C)CC1 ZINC000557395558 322936988 /nfs/dbraw/zinc/93/69/88/322936988.db2.gz NSQNXYVCDYHXDY-ZIAGYGMSSA-N 1 0 221.388 3.757 20 0 BHADRO Cc1cccc(OCC[N@@H+](C)[C@@H](C)CC(C)C)c1 ZINC000557436073 384944470 /nfs/dbraw/zinc/94/44/70/384944470.db2.gz MPGJLRHDKRIRCK-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1cccc(OCC[N@@H+](C)[C@H](C)CC(C)C)c1 ZINC000557436076 384942582 /nfs/dbraw/zinc/94/25/82/384942582.db2.gz MPGJLRHDKRIRCK-OAHLLOKOSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccc(OCC[N@@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000557436391 384943892 /nfs/dbraw/zinc/94/38/92/384943892.db2.gz PJQAGWHAKOMWOG-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccc(OCC[N@@H+](C)[C@H](C)CC(C)C)cc1 ZINC000557436396 384942962 /nfs/dbraw/zinc/94/29/62/384942962.db2.gz PJQAGWHAKOMWOG-OAHLLOKOSA-N 1 0 249.398 3.740 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000557500405 384985155 /nfs/dbraw/zinc/98/51/55/384985155.db2.gz SJJBBUWQWNWDEO-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000557500410 322938414 /nfs/dbraw/zinc/93/84/14/322938414.db2.gz SJJBBUWQWNWDEO-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000557500411 384984220 /nfs/dbraw/zinc/98/42/20/384984220.db2.gz SJJBBUWQWNWDEO-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000557500412 384985393 /nfs/dbraw/zinc/98/53/93/384985393.db2.gz SJJBBUWQWNWDEO-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO COCC(C)(C)CCC[NH2+]C[C@@H](C)CC(C)C ZINC000557522104 322938611 /nfs/dbraw/zinc/93/86/11/322938611.db2.gz VEPYGYVKPGDNFC-AWEZNQCLSA-N 1 0 243.435 3.711 20 0 BHADRO COCC(C)(C)CCC[NH2+]C[C@H](C)CC(C)C ZINC000557522121 322938669 /nfs/dbraw/zinc/93/86/69/322938669.db2.gz VEPYGYVKPGDNFC-CQSZACIVSA-N 1 0 243.435 3.711 20 0 BHADRO CC(C)OCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000557549338 385014009 /nfs/dbraw/zinc/01/40/09/385014009.db2.gz FAIKWIPDLSLUJV-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)OCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000557549339 385014692 /nfs/dbraw/zinc/01/46/92/385014692.db2.gz FAIKWIPDLSLUJV-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[N@H+](CC)Cc1c(C)cccc1C ZINC000557619145 385047367 /nfs/dbraw/zinc/04/73/67/385047367.db2.gz LQCSKQRDEOGFNA-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO Cc1ccc2oc(C[NH2+]CC(C)(C)C)cc2c1 ZINC000557731594 385101308 /nfs/dbraw/zinc/10/13/08/385101308.db2.gz UOBNINNEJRYWHW-UHFFFAOYSA-N 1 0 231.339 3.877 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]CC1CCCCC1 ZINC000557755429 385112825 /nfs/dbraw/zinc/11/28/25/385112825.db2.gz KWVQQYKNTKNADX-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO Cn1cccc1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000557760271 322941921 /nfs/dbraw/zinc/94/19/21/322941921.db2.gz BDMCQEXZDATOCY-UHFFFAOYSA-N 1 0 248.414 3.720 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C)cc1OC ZINC000557783554 322942317 /nfs/dbraw/zinc/94/23/17/322942317.db2.gz XRBULXVJKIVPKQ-AWEZNQCLSA-N 1 0 235.371 3.672 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C)cc1OC ZINC000557783556 322942324 /nfs/dbraw/zinc/94/23/24/322942324.db2.gz XRBULXVJKIVPKQ-CQSZACIVSA-N 1 0 235.371 3.672 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000557789602 322942222 /nfs/dbraw/zinc/94/22/22/322942222.db2.gz KTUDTFBCIYGGBF-AAEUAGOBSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000557789603 385141317 /nfs/dbraw/zinc/14/13/17/385141317.db2.gz KTUDTFBCIYGGBF-DGCLKSJQSA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000557789604 322942265 /nfs/dbraw/zinc/94/22/65/322942265.db2.gz KTUDTFBCIYGGBF-WCQYABFASA-N 1 0 235.371 3.927 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000557789605 322942259 /nfs/dbraw/zinc/94/22/59/322942259.db2.gz KTUDTFBCIYGGBF-YPMHNXCESA-N 1 0 235.371 3.927 20 0 BHADRO CC1(c2ccccc2)CC([NH2+]CC2CCCC2)C1 ZINC000557790317 322942272 /nfs/dbraw/zinc/94/22/72/322942272.db2.gz LSFZOAFKVGYSIA-UHFFFAOYSA-N 1 0 243.394 3.887 20 0 BHADRO CCOc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000557791699 385142051 /nfs/dbraw/zinc/14/20/51/385142051.db2.gz XUZNVOLAMZOHKT-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CC1CCCCCC1 ZINC000557843964 385208775 /nfs/dbraw/zinc/20/87/75/385208775.db2.gz HFQAZDGIOXAYEW-CYBMUJFWSA-N 1 0 235.371 3.771 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CC1CCCCCC1 ZINC000557843966 322943412 /nfs/dbraw/zinc/94/34/12/322943412.db2.gz HFQAZDGIOXAYEW-ZDUSSCGKSA-N 1 0 235.371 3.771 20 0 BHADRO CS[C@H]1CC[C@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000557856815 385221476 /nfs/dbraw/zinc/22/14/76/385221476.db2.gz GBMFXVWXYRBGOG-CABCVRRESA-N 1 0 249.423 3.595 20 0 BHADRO CS[C@H]1CC[C@@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000557856825 385221505 /nfs/dbraw/zinc/22/15/05/385221505.db2.gz GBMFXVWXYRBGOG-GJZGRUSLSA-N 1 0 249.423 3.595 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000557856827 322943737 /nfs/dbraw/zinc/94/37/37/322943737.db2.gz GBMFXVWXYRBGOG-HUUCEWRRSA-N 1 0 249.423 3.595 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000557856829 385221194 /nfs/dbraw/zinc/22/11/94/385221194.db2.gz GBMFXVWXYRBGOG-LSDHHAIUSA-N 1 0 249.423 3.595 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@H]1CCOC1 ZINC000558009386 385278878 /nfs/dbraw/zinc/27/88/78/385278878.db2.gz NYPNLMFGUJPHDF-ILXRZTDVSA-N 1 0 239.403 3.526 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@@H]1CCOC1 ZINC000558009387 322945222 /nfs/dbraw/zinc/94/52/22/322945222.db2.gz NYPNLMFGUJPHDF-KFWWJZLASA-N 1 0 239.403 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@H]1CCOC1 ZINC000558009388 322945202 /nfs/dbraw/zinc/94/52/02/322945202.db2.gz NYPNLMFGUJPHDF-KKUMJFAQSA-N 1 0 239.403 3.526 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@@H]1CCOC1 ZINC000558009389 322945215 /nfs/dbraw/zinc/94/52/15/322945215.db2.gz NYPNLMFGUJPHDF-ZNMIVQPWSA-N 1 0 239.403 3.526 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C)CC(C)C ZINC000558069991 385295041 /nfs/dbraw/zinc/29/50/41/385295041.db2.gz VOEOFRLKZRREAN-CYBMUJFWSA-N 1 0 235.371 3.528 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C)CC(C)C ZINC000558069993 322945835 /nfs/dbraw/zinc/94/58/35/322945835.db2.gz VOEOFRLKZRREAN-ZDUSSCGKSA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000558073524 385295071 /nfs/dbraw/zinc/29/50/71/385295071.db2.gz KJEOOVMJXRMYFD-GZBFAFLISA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000558073525 322945840 /nfs/dbraw/zinc/94/58/40/322945840.db2.gz KJEOOVMJXRMYFD-KCQAQPDRSA-N 1 0 247.382 3.575 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCOC1CCC1 ZINC000558088058 385298272 /nfs/dbraw/zinc/29/82/72/385298272.db2.gz QIVWWLNHQREYHV-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000558088059 385296624 /nfs/dbraw/zinc/29/66/24/385296624.db2.gz QIVWWLNHQREYHV-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCOC1CCC1 ZINC000558088060 385297612 /nfs/dbraw/zinc/29/76/12/385297612.db2.gz QIVWWLNHQREYHV-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000558088061 385298171 /nfs/dbraw/zinc/29/81/71/385298171.db2.gz QIVWWLNHQREYHV-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[NH+](CCCC)Cc1cncc(F)c1 ZINC000558088456 385298194 /nfs/dbraw/zinc/29/81/94/385298194.db2.gz XZHAACRWPDSQJA-UHFFFAOYSA-N 1 0 238.350 3.623 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000558117962 322946218 /nfs/dbraw/zinc/94/62/18/322946218.db2.gz HSYGWKIEGPXGQR-DMOGRIERSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000558117963 322946310 /nfs/dbraw/zinc/94/63/10/322946310.db2.gz HSYGWKIEGPXGQR-JYBOHDQNSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000558117964 409994736 /nfs/dbraw/zinc/99/47/36/409994736.db2.gz HSYGWKIEGPXGQR-QKEWWQLBSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000558117965 409993172 /nfs/dbraw/zinc/99/31/72/409993172.db2.gz HSYGWKIEGPXGQR-QYNFOATHSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000558119494 385319312 /nfs/dbraw/zinc/31/93/12/385319312.db2.gz HHHQONQGTVUGET-JYJNAYRXSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000558119496 385319245 /nfs/dbraw/zinc/31/92/45/385319245.db2.gz HHHQONQGTVUGET-OAGGEKHMSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000558119498 322946226 /nfs/dbraw/zinc/94/62/26/322946226.db2.gz HHHQONQGTVUGET-PMPSAXMXSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000558119499 322946282 /nfs/dbraw/zinc/94/62/82/322946282.db2.gz HHHQONQGTVUGET-XHSDSOJGSA-N 1 0 249.373 3.906 20 0 BHADRO COc1ccc([C@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000558132802 385324599 /nfs/dbraw/zinc/32/45/99/385324599.db2.gz XZYKUVRJHNLLIM-DOMZBBRYSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000558132803 322946333 /nfs/dbraw/zinc/94/63/33/322946333.db2.gz XZYKUVRJHNLLIM-IUODEOHRSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000558132805 385324437 /nfs/dbraw/zinc/32/44/37/385324437.db2.gz XZYKUVRJHNLLIM-SWLSCSKDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000558132807 322946340 /nfs/dbraw/zinc/94/63/40/322946340.db2.gz XZYKUVRJHNLLIM-WFASDCNBSA-N 1 0 247.382 3.577 20 0 BHADRO Clc1cccc2c1C[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000558143973 385333523 /nfs/dbraw/zinc/33/35/23/385333523.db2.gz DZQLUYLXOQMOHH-GFCCVEGCSA-N 1 0 233.742 3.764 20 0 BHADRO Clc1cccc2c1C[N@@H+]([C@H]1C=CCCC1)C2 ZINC000558143974 385333243 /nfs/dbraw/zinc/33/32/43/385333243.db2.gz DZQLUYLXOQMOHH-LBPRGKRZSA-N 1 0 233.742 3.764 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccncc1C ZINC000558159597 322946628 /nfs/dbraw/zinc/94/66/28/322946628.db2.gz OHTZZVKZZWJDGX-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccncc1C ZINC000558159602 383823682 /nfs/dbraw/zinc/82/36/82/383823682.db2.gz OHTZZVKZZWJDGX-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccncc1C ZINC000558159604 322946592 /nfs/dbraw/zinc/94/65/92/322946592.db2.gz OHTZZVKZZWJDGX-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccncc1C ZINC000558159606 322946676 /nfs/dbraw/zinc/94/66/76/322946676.db2.gz OHTZZVKZZWJDGX-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)CC1CCCC1 ZINC000558167169 383824962 /nfs/dbraw/zinc/82/49/62/383824962.db2.gz YBTMXTXNJSWHTH-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000558167170 322946836 /nfs/dbraw/zinc/94/68/36/322946836.db2.gz YBTMXTXNJSWHTH-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000558177698 383833163 /nfs/dbraw/zinc/83/31/63/383833163.db2.gz MSZLKQSHGVAYPB-GFCCVEGCSA-N 1 0 223.385 3.787 20 0 BHADRO CC(C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000558177699 383831844 /nfs/dbraw/zinc/83/18/44/383831844.db2.gz MSZLKQSHGVAYPB-LBPRGKRZSA-N 1 0 223.385 3.787 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000558220228 383854079 /nfs/dbraw/zinc/85/40/79/383854079.db2.gz MKJVFXPYSMTLLY-CVEARBPZSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000558220230 322947397 /nfs/dbraw/zinc/94/73/97/322947397.db2.gz MKJVFXPYSMTLLY-HOTGVXAUSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000558220231 322947475 /nfs/dbraw/zinc/94/74/75/322947475.db2.gz MKJVFXPYSMTLLY-HZPDHXFCSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000558220232 322947380 /nfs/dbraw/zinc/94/73/80/322947380.db2.gz MKJVFXPYSMTLLY-JKSUJKDBSA-N 1 0 229.367 3.582 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000558221070 383853011 /nfs/dbraw/zinc/85/30/11/383853011.db2.gz CEKSMDHCNZSOPT-HOJRLLLISA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000558221071 383853769 /nfs/dbraw/zinc/85/37/69/383853769.db2.gz CEKSMDHCNZSOPT-KKOFPSKJSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000558221072 383854931 /nfs/dbraw/zinc/85/49/31/383854931.db2.gz CEKSMDHCNZSOPT-MFNGEMCRSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000558221073 383855271 /nfs/dbraw/zinc/85/52/71/383855271.db2.gz CEKSMDHCNZSOPT-TWRYWWQQSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OC(C)C ZINC000558221263 487776134 /nfs/dbraw/zinc/77/61/34/487776134.db2.gz FJBYSGXSQXAXRE-DZGCQCFKSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OC(C)C ZINC000558221266 487776043 /nfs/dbraw/zinc/77/60/43/487776043.db2.gz FJBYSGXSQXAXRE-HIFRSBDPSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OC(C)C ZINC000558221269 487776122 /nfs/dbraw/zinc/77/61/22/487776122.db2.gz FJBYSGXSQXAXRE-UKRRQHHQSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OC(C)C ZINC000558221273 487775849 /nfs/dbraw/zinc/77/58/49/487775849.db2.gz FJBYSGXSQXAXRE-ZFWWWQNUSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000558221596 487775892 /nfs/dbraw/zinc/77/58/92/487775892.db2.gz HHNNBKCXZNROMT-BXUZGUMPSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000558221600 487775880 /nfs/dbraw/zinc/77/58/80/487775880.db2.gz HHNNBKCXZNROMT-FZMZJTMJSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000558221602 487776174 /nfs/dbraw/zinc/77/61/74/487776174.db2.gz HHNNBKCXZNROMT-RISCZKNCSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000558221604 487775977 /nfs/dbraw/zinc/77/59/77/487775977.db2.gz HHNNBKCXZNROMT-SMDDNHRTSA-N 1 0 229.323 3.711 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000558221841 398089470 /nfs/dbraw/zinc/08/94/70/398089470.db2.gz JVLAVWOXCMAOOC-DLBZAZTESA-N 1 0 243.394 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000558221847 398089416 /nfs/dbraw/zinc/08/94/16/398089416.db2.gz JVLAVWOXCMAOOC-IAGOWNOFSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000558221849 398089118 /nfs/dbraw/zinc/08/91/18/398089118.db2.gz JVLAVWOXCMAOOC-IRXDYDNUSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000558221850 398089343 /nfs/dbraw/zinc/08/93/43/398089343.db2.gz JVLAVWOXCMAOOC-SJORKVTESA-N 1 0 243.394 3.624 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000558225210 343866572 /nfs/dbraw/zinc/86/65/72/343866572.db2.gz ASHYTGKNIBGHOD-IUIKQTSFSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000558225215 343866762 /nfs/dbraw/zinc/86/67/62/343866762.db2.gz ASHYTGKNIBGHOD-KNXALSJPSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000558225218 343866776 /nfs/dbraw/zinc/86/67/76/343866776.db2.gz ASHYTGKNIBGHOD-UVBJJODRSA-N 1 0 245.366 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000558225219 343866849 /nfs/dbraw/zinc/86/68/49/343866849.db2.gz ASHYTGKNIBGHOD-XZJROXQQSA-N 1 0 245.366 3.534 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000558225869 383858961 /nfs/dbraw/zinc/85/89/61/383858961.db2.gz JPZFSDAOHYQPNA-KBPBESRZSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000558225870 383856722 /nfs/dbraw/zinc/85/67/22/383856722.db2.gz JPZFSDAOHYQPNA-KGLIPLIRSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000558225871 322947652 /nfs/dbraw/zinc/94/76/52/322947652.db2.gz JPZFSDAOHYQPNA-UONOGXRCSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000558225872 322947661 /nfs/dbraw/zinc/94/76/61/322947661.db2.gz JPZFSDAOHYQPNA-ZIAGYGMSSA-N 1 0 235.346 3.740 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1CC)c1ccccc1 ZINC000558228033 322947580 /nfs/dbraw/zinc/94/75/80/322947580.db2.gz YIQLPGJRGVLRMD-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1CC)c1ccccc1 ZINC000558228042 322947581 /nfs/dbraw/zinc/94/75/81/322947581.db2.gz YIQLPGJRGVLRMD-IIAWOOMASA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1CC)c1ccccc1 ZINC000558228045 322947588 /nfs/dbraw/zinc/94/75/88/322947588.db2.gz YIQLPGJRGVLRMD-LZWOXQAQSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1 ZINC000558228047 322947579 /nfs/dbraw/zinc/94/75/79/322947579.db2.gz YIQLPGJRGVLRMD-SQWLQELKSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000558229274 566283834 /nfs/dbraw/zinc/28/38/34/566283834.db2.gz YVTSWLWVIRGRAO-KMUNFCNLSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000558229275 490247564 /nfs/dbraw/zinc/24/75/64/490247564.db2.gz YVTSWLWVIRGRAO-ONERCXAPSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000558229276 490247783 /nfs/dbraw/zinc/24/77/83/490247783.db2.gz YVTSWLWVIRGRAO-VCTAVGKDSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000558229277 490247768 /nfs/dbraw/zinc/24/77/68/490247768.db2.gz YVTSWLWVIRGRAO-WKPIXPDZSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000558234690 322947685 /nfs/dbraw/zinc/94/76/85/322947685.db2.gz AVCWWBYWJXBXPQ-JMSVASOKSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000558234691 322947618 /nfs/dbraw/zinc/94/76/18/322947618.db2.gz AVCWWBYWJXBXPQ-LALPHHSUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cc1ccccc1F ZINC000558234692 383860197 /nfs/dbraw/zinc/86/01/97/383860197.db2.gz AVCWWBYWJXBXPQ-YWPYICTPSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1F ZINC000558234693 383859629 /nfs/dbraw/zinc/85/96/29/383859629.db2.gz AVCWWBYWJXBXPQ-ZOWXZIJZSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1CC1 ZINC000558236466 322947606 /nfs/dbraw/zinc/94/76/06/322947606.db2.gz XNTYHZWMBZMULT-YUSALJHKSA-N 1 0 249.320 3.743 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)s1 ZINC000558239943 383860272 /nfs/dbraw/zinc/86/02/72/383860272.db2.gz BZUCOOWGXKEJDL-COLVAYQJSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)s1 ZINC000558239944 383862463 /nfs/dbraw/zinc/86/24/63/383862463.db2.gz BZUCOOWGXKEJDL-LKTVYLICSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)s1 ZINC000558239945 383862268 /nfs/dbraw/zinc/86/22/68/383862268.db2.gz BZUCOOWGXKEJDL-NZVBXONLSA-N 1 0 249.423 3.766 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)s1 ZINC000558239946 383859694 /nfs/dbraw/zinc/85/96/94/383859694.db2.gz BZUCOOWGXKEJDL-VQISRLSMSA-N 1 0 249.423 3.766 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000558240350 383861151 /nfs/dbraw/zinc/86/11/51/383861151.db2.gz GIDDURCMRYDNHG-DLBZAZTESA-N 1 0 243.394 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000558240351 322947792 /nfs/dbraw/zinc/94/77/92/322947792.db2.gz GIDDURCMRYDNHG-IAGOWNOFSA-N 1 0 243.394 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000558240352 383860913 /nfs/dbraw/zinc/86/09/13/383860913.db2.gz GIDDURCMRYDNHG-IRXDYDNUSA-N 1 0 243.394 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000558240353 322947809 /nfs/dbraw/zinc/94/78/09/322947809.db2.gz GIDDURCMRYDNHG-SJORKVTESA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000558240626 322947771 /nfs/dbraw/zinc/94/77/71/322947771.db2.gz IWXOGWJNKBCEJA-KYOSRNDESA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000558240627 322947803 /nfs/dbraw/zinc/94/78/03/322947803.db2.gz IWXOGWJNKBCEJA-LNSITVRQSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCc1ccc(C)o1 ZINC000558240628 322947800 /nfs/dbraw/zinc/94/78/00/322947800.db2.gz IWXOGWJNKBCEJA-NJZAAPMLSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCc1ccc(C)o1 ZINC000558240629 322947805 /nfs/dbraw/zinc/94/78/05/322947805.db2.gz IWXOGWJNKBCEJA-UXIGCNINSA-N 1 0 235.371 3.687 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000558241377 383864416 /nfs/dbraw/zinc/86/44/16/383864416.db2.gz NKCYNEKKWLHMFI-DZGCQCFKSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000558241381 322947719 /nfs/dbraw/zinc/94/77/19/322947719.db2.gz NKCYNEKKWLHMFI-HIFRSBDPSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000558241382 383863434 /nfs/dbraw/zinc/86/34/34/383863434.db2.gz NKCYNEKKWLHMFI-UKRRQHHQSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000558241384 383864646 /nfs/dbraw/zinc/86/46/46/383864646.db2.gz NKCYNEKKWLHMFI-ZFWWWQNUSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000558241721 383865047 /nfs/dbraw/zinc/86/50/47/383865047.db2.gz SFNGVMAVRDHBAK-FMKPAKJESA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000558241722 383865125 /nfs/dbraw/zinc/86/51/25/383865125.db2.gz SFNGVMAVRDHBAK-IIAWOOMASA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000558241723 383865042 /nfs/dbraw/zinc/86/50/42/383865042.db2.gz SFNGVMAVRDHBAK-LZWOXQAQSA-N 1 0 231.383 3.877 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000558241724 383864574 /nfs/dbraw/zinc/86/45/74/383864574.db2.gz SFNGVMAVRDHBAK-SQWLQELKSA-N 1 0 231.383 3.877 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000558242314 383864602 /nfs/dbraw/zinc/86/46/02/383864602.db2.gz WQNSCWGKSUFKNC-CHWSQXEVSA-N 1 0 249.423 3.804 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CC1)c1cccs1 ZINC000558242316 322947864 /nfs/dbraw/zinc/94/78/64/322947864.db2.gz WQNSCWGKSUFKNC-OLZOCXBDSA-N 1 0 249.423 3.804 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000558242317 383864748 /nfs/dbraw/zinc/86/47/48/383864748.db2.gz WQNSCWGKSUFKNC-QWHCGFSZSA-N 1 0 249.423 3.804 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CC1)c1cccs1 ZINC000558242318 383864530 /nfs/dbraw/zinc/86/45/30/383864530.db2.gz WQNSCWGKSUFKNC-STQMWFEESA-N 1 0 249.423 3.804 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000558251162 383874786 /nfs/dbraw/zinc/87/47/86/383874786.db2.gz MEDNWVLZRILVHT-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000558251164 383873520 /nfs/dbraw/zinc/87/35/20/383873520.db2.gz MEDNWVLZRILVHT-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000558251165 322947986 /nfs/dbraw/zinc/94/79/86/322947986.db2.gz MEDNWVLZRILVHT-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000558251166 383874370 /nfs/dbraw/zinc/87/43/70/383874370.db2.gz MEDNWVLZRILVHT-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000558251399 383874314 /nfs/dbraw/zinc/87/43/14/383874314.db2.gz UFDQHHFNSVXHAU-DJIMGWMZSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000558251400 383874531 /nfs/dbraw/zinc/87/45/31/383874531.db2.gz UFDQHHFNSVXHAU-HYVNUMGLSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000558251401 383873638 /nfs/dbraw/zinc/87/36/38/383873638.db2.gz UFDQHHFNSVXHAU-OIISXLGYSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000558251402 322947973 /nfs/dbraw/zinc/94/79/73/322947973.db2.gz UFDQHHFNSVXHAU-PVAVHDDUSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H]1CC[C@H]1Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000558251462 322948066 /nfs/dbraw/zinc/94/80/66/322948066.db2.gz WUKSPAINTMRRPX-GDBMZVCRSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@H]1Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000558251463 383873736 /nfs/dbraw/zinc/87/37/36/383873736.db2.gz WUKSPAINTMRRPX-GOEBONIOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@@H]1Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000558251464 383873353 /nfs/dbraw/zinc/87/33/53/383873353.db2.gz WUKSPAINTMRRPX-HOCLYGCPSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@@H]1Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000558251465 383874585 /nfs/dbraw/zinc/87/45/85/383874585.db2.gz WUKSPAINTMRRPX-ZBFHGGJFSA-N 1 0 246.398 3.657 20 0 BHADRO Fc1cccc(C2([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000558251503 383873382 /nfs/dbraw/zinc/87/33/82/383873382.db2.gz ZDFAPMLDSDWZDH-CABCVRRESA-N 1 0 245.341 3.593 20 0 BHADRO Fc1cccc(C2([NH2+][C@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000558251504 322947983 /nfs/dbraw/zinc/94/79/83/322947983.db2.gz ZDFAPMLDSDWZDH-GJZGRUSLSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1cccc(C2([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000558251505 383874649 /nfs/dbraw/zinc/87/46/49/383874649.db2.gz ZDFAPMLDSDWZDH-HUUCEWRRSA-N 1 0 245.341 3.593 20 0 BHADRO Fc1cccc(C2([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000558251506 383874890 /nfs/dbraw/zinc/87/48/90/383874890.db2.gz ZDFAPMLDSDWZDH-LSDHHAIUSA-N 1 0 245.341 3.593 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000558251971 383872909 /nfs/dbraw/zinc/87/29/09/383872909.db2.gz CBIHXTRFVDZEMZ-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000558251972 322947977 /nfs/dbraw/zinc/94/79/77/322947977.db2.gz CBIHXTRFVDZEMZ-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000558251973 322947974 /nfs/dbraw/zinc/94/79/74/322947974.db2.gz CBIHXTRFVDZEMZ-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000558251974 383875123 /nfs/dbraw/zinc/87/51/23/383875123.db2.gz CBIHXTRFVDZEMZ-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000558253161 322947965 /nfs/dbraw/zinc/94/79/65/322947965.db2.gz XAKWTTJPTPILQB-CFVMTHIKSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000558253162 322947961 /nfs/dbraw/zinc/94/79/61/322947961.db2.gz XAKWTTJPTPILQB-QEJZJMRPSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000558253163 322948100 /nfs/dbraw/zinc/94/81/00/322948100.db2.gz XAKWTTJPTPILQB-SNPRPXQTSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000558253164 383879983 /nfs/dbraw/zinc/87/99/83/383879983.db2.gz XAKWTTJPTPILQB-YUELXQCFSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558254720 383883393 /nfs/dbraw/zinc/88/33/93/383883393.db2.gz AMXIZUXFBHPWBI-ADEWGFFLSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558254721 383883807 /nfs/dbraw/zinc/88/38/07/383883807.db2.gz AMXIZUXFBHPWBI-JLLWLGSASA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558254724 383884072 /nfs/dbraw/zinc/88/40/72/383884072.db2.gz AMXIZUXFBHPWBI-USWWRNFRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558254727 383883798 /nfs/dbraw/zinc/88/37/98/383883798.db2.gz AMXIZUXFBHPWBI-YUSALJHKSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000558254866 322948067 /nfs/dbraw/zinc/94/80/67/322948067.db2.gz BVFRGFOGZDWDCG-TUAOUCFPSA-N 1 0 243.272 3.520 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CC[C@@H]3C3CC3)CCC2)cc1 ZINC000558255435 322947960 /nfs/dbraw/zinc/94/79/60/322947960.db2.gz FFDMTNWAVHSLDU-CVEARBPZSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CC[C@H]3C3CC3)CCC2)cc1 ZINC000558255440 383876924 /nfs/dbraw/zinc/87/69/24/383876924.db2.gz FFDMTNWAVHSLDU-HOTGVXAUSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CC[C@@H]3C3CC3)CCC2)cc1 ZINC000558255441 383877121 /nfs/dbraw/zinc/87/71/21/383877121.db2.gz FFDMTNWAVHSLDU-HZPDHXFCSA-N 1 0 241.378 3.844 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CC[C@H]3C3CC3)CCC2)cc1 ZINC000558255443 322947967 /nfs/dbraw/zinc/94/79/67/322947967.db2.gz FFDMTNWAVHSLDU-JKSUJKDBSA-N 1 0 241.378 3.844 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000558256497 383886903 /nfs/dbraw/zinc/88/69/03/383886903.db2.gz IPNAPCUJZAKEIQ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000558256498 322948215 /nfs/dbraw/zinc/94/82/15/322948215.db2.gz IPNAPCUJZAKEIQ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000558256499 322948247 /nfs/dbraw/zinc/94/82/47/322948247.db2.gz IPNAPCUJZAKEIQ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000558256500 322948251 /nfs/dbraw/zinc/94/82/51/322948251.db2.gz IPNAPCUJZAKEIQ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558256669 322948211 /nfs/dbraw/zinc/94/82/11/322948211.db2.gz OGXCNHUCIJIYJC-DLBZAZTESA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558256672 322948314 /nfs/dbraw/zinc/94/83/14/322948314.db2.gz OGXCNHUCIJIYJC-IAGOWNOFSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558256675 322948273 /nfs/dbraw/zinc/94/82/73/322948273.db2.gz OGXCNHUCIJIYJC-IRXDYDNUSA-N 1 0 243.394 3.624 20 0 BHADRO Cc1cccc(C)c1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558256677 383886835 /nfs/dbraw/zinc/88/68/35/383886835.db2.gz OGXCNHUCIJIYJC-SJORKVTESA-N 1 0 243.394 3.624 20 0 BHADRO COCC(C)(C)CCC[NH2+]C1CCCCCC1 ZINC000558256770 322948275 /nfs/dbraw/zinc/94/82/75/322948275.db2.gz PFHDXDFKKIJROU-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CC[C@@H]1CC)c1ccccc1 ZINC000558256944 383886186 /nfs/dbraw/zinc/88/61/86/383886186.db2.gz JFIMZGFUZSGXPQ-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CC[C@H]1CC)c1ccccc1 ZINC000558256946 383886793 /nfs/dbraw/zinc/88/67/93/383886793.db2.gz JFIMZGFUZSGXPQ-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1 ZINC000558256949 383886891 /nfs/dbraw/zinc/88/68/91/383886891.db2.gz JFIMZGFUZSGXPQ-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CC[C@H]1CC)c1ccccc1 ZINC000558256951 383885988 /nfs/dbraw/zinc/88/59/88/383885988.db2.gz JFIMZGFUZSGXPQ-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000558257758 322948252 /nfs/dbraw/zinc/94/82/52/322948252.db2.gz TYHVVVCDCUSRGR-BRXULGCHSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000558257771 383888804 /nfs/dbraw/zinc/88/88/04/383888804.db2.gz TYHVVVCDCUSRGR-JXFSHQFZSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000558257775 383888462 /nfs/dbraw/zinc/88/84/62/383888462.db2.gz TYHVVVCDCUSRGR-QCQGSNGOSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000558257777 383890302 /nfs/dbraw/zinc/89/03/02/383890302.db2.gz TYHVVVCDCUSRGR-WFGGJUAMSA-N 1 0 247.357 3.850 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000558258172 383890013 /nfs/dbraw/zinc/89/00/13/383890013.db2.gz OKSONDNGZGPNEF-GDBMZVCRSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000558258174 322948311 /nfs/dbraw/zinc/94/83/11/322948311.db2.gz OKSONDNGZGPNEF-GOEBONIOSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000558258176 322948210 /nfs/dbraw/zinc/94/82/10/322948210.db2.gz OKSONDNGZGPNEF-HOCLYGCPSA-N 1 0 246.398 3.787 20 0 BHADRO CCCNc1ccc(C[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000558258178 322948248 /nfs/dbraw/zinc/94/82/48/322948248.db2.gz OKSONDNGZGPNEF-ZBFHGGJFSA-N 1 0 246.398 3.787 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558258502 383882486 /nfs/dbraw/zinc/88/24/86/383882486.db2.gz VYZZAEXMRZAVDM-AMMHQNNLSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558258503 322948103 /nfs/dbraw/zinc/94/81/03/322948103.db2.gz VYZZAEXMRZAVDM-SLZITWOASA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558258504 322948189 /nfs/dbraw/zinc/94/81/89/322948189.db2.gz VYZZAEXMRZAVDM-TXUJKZCJSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558258506 383884233 /nfs/dbraw/zinc/88/42/33/383884233.db2.gz VYZZAEXMRZAVDM-YDMUCJKGSA-N 1 0 247.357 3.659 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000558258946 383884010 /nfs/dbraw/zinc/88/40/10/383884010.db2.gz RVEJPGDUYFZZCB-ICCXJUOJSA-N 1 0 239.309 3.553 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000558258948 322948097 /nfs/dbraw/zinc/94/80/97/322948097.db2.gz RVEJPGDUYFZZCB-XDTLVQLUSA-N 1 0 239.309 3.553 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558259127 322948184 /nfs/dbraw/zinc/94/81/84/322948184.db2.gz NRUQMRXNUJKNFU-DRZSPHRISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558259131 383883483 /nfs/dbraw/zinc/88/34/83/383883483.db2.gz NRUQMRXNUJKNFU-WXHSDQCUSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000558259350 383882552 /nfs/dbraw/zinc/88/25/52/383882552.db2.gz ULONMPASNCRRRA-AWEZNQCLSA-N 1 0 249.373 3.798 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000558259355 322948186 /nfs/dbraw/zinc/94/81/86/322948186.db2.gz ULONMPASNCRRRA-CQSZACIVSA-N 1 0 249.373 3.798 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000558259500 383884523 /nfs/dbraw/zinc/88/45/23/383884523.db2.gz ZLYLGERRLAXMKB-AVRGHOLYSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000558259502 322948090 /nfs/dbraw/zinc/94/80/90/322948090.db2.gz ZLYLGERRLAXMKB-MPTQWLOMSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000558259503 322948076 /nfs/dbraw/zinc/94/80/76/322948076.db2.gz ZLYLGERRLAXMKB-SHUKQUCYSA-N 1 0 229.367 3.698 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000558259504 322948095 /nfs/dbraw/zinc/94/80/95/322948095.db2.gz ZLYLGERRLAXMKB-VZAMPYOESA-N 1 0 229.367 3.698 20 0 BHADRO CC1(C)CC([NH2+][C@H]2C[C@@H]2C(F)F)CC(C)(C)C1 ZINC000558259623 383885860 /nfs/dbraw/zinc/88/58/60/383885860.db2.gz SRNUQTYPHHZJPJ-QWRGUYRKSA-N 1 0 245.357 3.835 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000558259699 383886346 /nfs/dbraw/zinc/88/63/46/383886346.db2.gz TYTZSCOJKWJSAQ-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000558259703 322948254 /nfs/dbraw/zinc/94/82/54/322948254.db2.gz TYTZSCOJKWJSAQ-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000558259705 322948280 /nfs/dbraw/zinc/94/82/80/322948280.db2.gz TYTZSCOJKWJSAQ-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000558259706 322948209 /nfs/dbraw/zinc/94/82/09/322948209.db2.gz TYTZSCOJKWJSAQ-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000558259825 322948271 /nfs/dbraw/zinc/94/82/71/322948271.db2.gz XKRNNLFNVZMHTP-XQQFMLRXSA-N 1 0 239.309 3.771 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000558260105 322948324 /nfs/dbraw/zinc/94/83/24/322948324.db2.gz XNUKYITUKXVJMG-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCCC1(C)C ZINC000558260106 322948359 /nfs/dbraw/zinc/94/83/59/322948359.db2.gz XNUKYITUKXVJMG-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1COc2c1ccc(C)c2C ZINC000558260313 383889230 /nfs/dbraw/zinc/88/92/30/383889230.db2.gz ZTKSYPMMLBGUCV-BPLDGKMQSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1COc2c1ccc(C)c2C ZINC000558260314 383889585 /nfs/dbraw/zinc/88/95/85/383889585.db2.gz ZTKSYPMMLBGUCV-SNPRPXQTSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1COc2c1ccc(C)c2C ZINC000558260315 383888226 /nfs/dbraw/zinc/88/82/26/383888226.db2.gz ZTKSYPMMLBGUCV-VHDGCEQUSA-N 1 0 245.366 3.515 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1COc2c1ccc(C)c2C ZINC000558260316 383889069 /nfs/dbraw/zinc/88/90/69/383889069.db2.gz ZTKSYPMMLBGUCV-YUELXQCFSA-N 1 0 245.366 3.515 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558260390 383892178 /nfs/dbraw/zinc/89/21/78/383892178.db2.gz UXERMYDHOQHTEO-OEAJRASXSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558260392 383891569 /nfs/dbraw/zinc/89/15/69/383891569.db2.gz UXERMYDHOQHTEO-QCEMKRCNSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558260394 383893166 /nfs/dbraw/zinc/89/31/66/383893166.db2.gz UXERMYDHOQHTEO-SYAUCNOPSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558260396 322948408 /nfs/dbraw/zinc/94/84/08/322948408.db2.gz UXERMYDHOQHTEO-TUUVXOQKSA-N 1 0 243.394 3.957 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000558260467 383892096 /nfs/dbraw/zinc/89/20/96/383892096.db2.gz WIUFARARQBXZLP-DRZSPHRISA-N 1 0 239.309 3.608 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000558260471 322948318 /nfs/dbraw/zinc/94/83/18/322948318.db2.gz WIUFARARQBXZLP-WXHSDQCUSA-N 1 0 239.309 3.608 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000558261108 383892115 /nfs/dbraw/zinc/89/21/15/383892115.db2.gz XODWRDCYNOXDAZ-DOMZBBRYSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)SCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000558261109 383892108 /nfs/dbraw/zinc/89/21/08/383892108.db2.gz XODWRDCYNOXDAZ-IUODEOHRSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)SCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000558261110 322948356 /nfs/dbraw/zinc/94/83/56/322948356.db2.gz XODWRDCYNOXDAZ-SWLSCSKDSA-N 1 0 249.423 3.651 20 0 BHADRO CC(C)SCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000558261111 322948411 /nfs/dbraw/zinc/94/84/11/322948411.db2.gz XODWRDCYNOXDAZ-WFASDCNBSA-N 1 0 249.423 3.651 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000558266613 343883030 /nfs/dbraw/zinc/88/30/30/343883030.db2.gz AVCBOBSIODRPMN-CVEARBPZSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000558266615 343882793 /nfs/dbraw/zinc/88/27/93/343882793.db2.gz AVCBOBSIODRPMN-HOTGVXAUSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000558266616 343883042 /nfs/dbraw/zinc/88/30/42/343883042.db2.gz AVCBOBSIODRPMN-HZPDHXFCSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000558266619 343882764 /nfs/dbraw/zinc/88/27/64/343882764.db2.gz AVCBOBSIODRPMN-JKSUJKDBSA-N 1 0 243.394 3.788 20 0 BHADRO C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000558267267 398092271 /nfs/dbraw/zinc/09/22/71/398092271.db2.gz DQRSXCXIMACNQA-JONQDZQNSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000558267272 398092364 /nfs/dbraw/zinc/09/23/64/398092364.db2.gz DQRSXCXIMACNQA-QXSJWSMHSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000558267273 398092286 /nfs/dbraw/zinc/09/22/86/398092286.db2.gz DQRSXCXIMACNQA-UGUYLWEFSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000558267274 398092026 /nfs/dbraw/zinc/09/20/26/398092026.db2.gz DQRSXCXIMACNQA-VGWMRTNUSA-N 1 0 233.399 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000558269886 383891576 /nfs/dbraw/zinc/89/15/76/383891576.db2.gz UFBLIIJZSVXSMI-DOMZBBRYSA-N 1 0 243.350 3.754 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000558269887 383892723 /nfs/dbraw/zinc/89/27/23/383892723.db2.gz UFBLIIJZSVXSMI-IUODEOHRSA-N 1 0 243.350 3.754 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000558269888 383893055 /nfs/dbraw/zinc/89/30/55/383893055.db2.gz UFBLIIJZSVXSMI-SWLSCSKDSA-N 1 0 243.350 3.754 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000558269889 383895581 /nfs/dbraw/zinc/89/55/81/383895581.db2.gz UFBLIIJZSVXSMI-WFASDCNBSA-N 1 0 243.350 3.754 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558291979 322948513 /nfs/dbraw/zinc/94/85/13/322948513.db2.gz CHUPEJQERHOYBL-AGVGLQIMSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558291982 383910306 /nfs/dbraw/zinc/91/03/06/383910306.db2.gz CHUPEJQERHOYBL-IDWGSYCQSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558291985 383910228 /nfs/dbraw/zinc/91/02/28/383910228.db2.gz CHUPEJQERHOYBL-PMUOWJKOSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558291987 322948512 /nfs/dbraw/zinc/94/85/12/322948512.db2.gz CHUPEJQERHOYBL-SFXRXQKFSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000558294177 383911693 /nfs/dbraw/zinc/91/16/93/383911693.db2.gz QHUJJKWLCXHHQC-FESBJMALSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000558294178 383911905 /nfs/dbraw/zinc/91/19/05/383911905.db2.gz QHUJJKWLCXHHQC-GQYKCQBRSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000558294180 383912932 /nfs/dbraw/zinc/91/29/32/383912932.db2.gz QHUJJKWLCXHHQC-PSEORLGDSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000558294181 383912445 /nfs/dbraw/zinc/91/24/45/383912445.db2.gz QHUJJKWLCXHHQC-SGCDDIOWSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@@H](C)C1 ZINC000558294891 383911811 /nfs/dbraw/zinc/91/18/11/383911811.db2.gz SIFLWYBJHMSQSJ-NWBXKSJZSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC([NH2+]C2CC(C(F)(F)F)C2)C[C@@H](C)C1 ZINC000558294893 383912420 /nfs/dbraw/zinc/91/24/20/383912420.db2.gz SIFLWYBJHMSQSJ-RKVXJDFWSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]1CC([NH2+]C2CC(C(F)(F)F)C2)C[C@H](C)C1 ZINC000558294895 383912936 /nfs/dbraw/zinc/91/29/36/383912936.db2.gz SIFLWYBJHMSQSJ-XTQFYOIMSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558295159 322948523 /nfs/dbraw/zinc/94/85/23/322948523.db2.gz QACOEKBQVKDLBY-NKVNRFPTSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558295162 322948531 /nfs/dbraw/zinc/94/85/31/322948531.db2.gz QACOEKBQVKDLBY-SAAXCQNUSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000558295163 322948530 /nfs/dbraw/zinc/94/85/30/322948530.db2.gz QACOEKBQVKDLBY-ZAKAZAAMSA-N 1 0 249.320 3.742 20 0 BHADRO CCc1[nH+]c2ccccc2c(N2CCCC2)c1C ZINC000558393224 383978314 /nfs/dbraw/zinc/97/83/14/383978314.db2.gz HUYOAHZKAUYADA-UHFFFAOYSA-N 1 0 240.350 3.706 20 0 BHADRO CCc1ccc(C[N@@H+](C(CC)CC)C2CC2)cn1 ZINC000558393840 383978260 /nfs/dbraw/zinc/97/82/60/383978260.db2.gz RCHDKOQHFHBAMB-UHFFFAOYSA-N 1 0 246.398 3.797 20 0 BHADRO CC[C@H]1CC[C@H]1Nc1ccc(C)cc1C[NH+](C)C ZINC000558402688 383984388 /nfs/dbraw/zinc/98/43/88/383984388.db2.gz HHROIKZHXFVUHG-DZGCQCFKSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@@H]1Nc1ccc(C)cc1C[NH+](C)C ZINC000558402689 322949528 /nfs/dbraw/zinc/94/95/28/322949528.db2.gz HHROIKZHXFVUHG-HIFRSBDPSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@H]1Nc1ccc(C)cc1C[NH+](C)C ZINC000558402690 383984716 /nfs/dbraw/zinc/98/47/16/383984716.db2.gz HHROIKZHXFVUHG-UKRRQHHQSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@@H]1Nc1ccc(C)cc1C[NH+](C)C ZINC000558402691 322949489 /nfs/dbraw/zinc/94/94/89/322949489.db2.gz HHROIKZHXFVUHG-ZFWWWQNUSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@@H](C)C2)cc(C)c1O ZINC000558405712 383990932 /nfs/dbraw/zinc/99/09/32/383990932.db2.gz YLOZSEIVLGFQHC-GFCCVEGCSA-N 1 0 247.382 3.631 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@H](C)C2)cc(C)c1O ZINC000558405713 383989290 /nfs/dbraw/zinc/98/92/90/383989290.db2.gz YLOZSEIVLGFQHC-LBPRGKRZSA-N 1 0 247.382 3.631 20 0 BHADRO CCC[N@@H+](Cc1ccc(Cl)cn1)CC(C)C ZINC000558407931 383994550 /nfs/dbraw/zinc/99/45/50/383994550.db2.gz MDZTXKMBMMYZJY-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(Cl)cn1)C(C)(C)C ZINC000558408406 383990080 /nfs/dbraw/zinc/99/00/80/383990080.db2.gz IYZJWCRHIYLCDB-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(Cl)cn1)C(C)(C)C ZINC000558408408 383989247 /nfs/dbraw/zinc/98/92/47/383989247.db2.gz IYZJWCRHIYLCDB-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000558409206 322949821 /nfs/dbraw/zinc/94/98/21/322949821.db2.gz NSLVCRFQYBZHBB-GUTXKFCHSA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000558409207 383989361 /nfs/dbraw/zinc/98/93/61/383989361.db2.gz NSLVCRFQYBZHBB-GZBFAFLISA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000558409208 322949734 /nfs/dbraw/zinc/94/97/34/322949734.db2.gz NSLVCRFQYBZHBB-NFAWXSAZSA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000558409209 383990452 /nfs/dbraw/zinc/99/04/52/383990452.db2.gz NSLVCRFQYBZHBB-UMVBOHGHSA-N 1 0 249.423 3.521 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(Cl)cn1 ZINC000558410313 383993404 /nfs/dbraw/zinc/99/34/04/383993404.db2.gz PVWHDQSRLMXKRY-LLVKDONJSA-N 1 0 240.778 3.603 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc(Cl)cn1 ZINC000558410315 383992453 /nfs/dbraw/zinc/99/24/53/383992453.db2.gz PVWHDQSRLMXKRY-NSHDSACASA-N 1 0 240.778 3.603 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000558412076 383994624 /nfs/dbraw/zinc/99/46/24/383994624.db2.gz PWORADYARCZOFB-CYBMUJFWSA-N 1 0 235.758 3.887 20 0 BHADRO CC1(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000558412077 383993808 /nfs/dbraw/zinc/99/38/08/383993808.db2.gz PWORADYARCZOFB-ZDUSSCGKSA-N 1 0 235.758 3.887 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2CC(C3CCC3)C2)cc1 ZINC000558412863 322949743 /nfs/dbraw/zinc/94/97/43/322949743.db2.gz QXQACLHOQICMLE-IHWYPQMZSA-N 1 0 245.341 3.571 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2CC(C3CCC3)C2)cc1 ZINC000558412864 383994385 /nfs/dbraw/zinc/99/43/85/383994385.db2.gz QXQACLHOQICMLE-NSCUHMNNSA-N 1 0 245.341 3.571 20 0 BHADRO CC[N@@H+](Cc1ccncc1)CC(C(C)C)C(C)C ZINC000558416820 383992553 /nfs/dbraw/zinc/99/25/53/383992553.db2.gz JGOSSBNPLCEVQA-UHFFFAOYSA-N 1 0 248.414 3.832 20 0 BHADRO CCCC[C@H]([NH2+]C1CC(OCC)C1)C1CCC1 ZINC000558423102 322950068 /nfs/dbraw/zinc/95/00/68/322950068.db2.gz GKUQHSRRVRCXSW-NRXISQOPSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H]([NH2+]C1CC(OCC)C1)C1CCC1 ZINC000558423105 383997732 /nfs/dbraw/zinc/99/77/32/383997732.db2.gz GKUQHSRRVRCXSW-YMAMQOFZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)C[NH+](Cc1cocn1)CC(C)(C)C ZINC000558424086 383998123 /nfs/dbraw/zinc/99/81/23/383998123.db2.gz VFZURRCWNLQQEN-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000558467056 398100445 /nfs/dbraw/zinc/10/04/45/398100445.db2.gz SQEXHDKCWYOQFG-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000558467072 398100422 /nfs/dbraw/zinc/10/04/22/398100422.db2.gz SQEXHDKCWYOQFG-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO C[C@@H]1C[N@H+](CCCC2CCCC2)CCC1(F)F ZINC000558467275 398100323 /nfs/dbraw/zinc/10/03/23/398100323.db2.gz VRYLUIWLDSOSIY-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1C[N@H+](CCCC2CCCC2)CCC1(F)F ZINC000558467276 398100461 /nfs/dbraw/zinc/10/04/61/398100461.db2.gz VRYLUIWLDSOSIY-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000558492415 384042823 /nfs/dbraw/zinc/04/28/23/384042823.db2.gz FFJARPYKIGIBEY-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000558492416 322951142 /nfs/dbraw/zinc/95/11/42/322951142.db2.gz FFJARPYKIGIBEY-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000558492417 322951079 /nfs/dbraw/zinc/95/10/79/322951079.db2.gz FFJARPYKIGIBEY-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000558492418 322951027 /nfs/dbraw/zinc/95/10/27/322951027.db2.gz FFJARPYKIGIBEY-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000558507096 322951316 /nfs/dbraw/zinc/95/13/16/322951316.db2.gz FGVLTHFNGXZPIJ-APIJFGDWSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000558507097 322951264 /nfs/dbraw/zinc/95/12/64/322951264.db2.gz FGVLTHFNGXZPIJ-KBUPBQIOSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000558507098 410010486 /nfs/dbraw/zinc/01/04/86/410010486.db2.gz FGVLTHFNGXZPIJ-KBXIAJHMSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000558507099 410011071 /nfs/dbraw/zinc/01/10/71/410011071.db2.gz FGVLTHFNGXZPIJ-TUVASFSCSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CC1(SC)CCC1 ZINC000558566792 384188946 /nfs/dbraw/zinc/18/89/46/384188946.db2.gz LVDFEASYKPHXLJ-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CC1(SC)CCC1 ZINC000558566799 384187811 /nfs/dbraw/zinc/18/78/11/384187811.db2.gz LVDFEASYKPHXLJ-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[N@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000558569444 384188493 /nfs/dbraw/zinc/18/84/93/384188493.db2.gz KZOCTTNTEQSLCQ-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]21 ZINC000558602543 384196482 /nfs/dbraw/zinc/19/64/82/384196482.db2.gz WHTDVZUNXQVENQ-OWCLPIDISA-N 1 0 241.378 3.652 20 0 BHADRO CC1(C)[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]21 ZINC000558602546 384196019 /nfs/dbraw/zinc/19/60/19/384196019.db2.gz WHTDVZUNXQVENQ-XHSDSOJGSA-N 1 0 241.378 3.652 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000558618837 322952356 /nfs/dbraw/zinc/95/23/56/322952356.db2.gz MUGURCGXKNBZDD-GHMZBOCLSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000558618838 398174481 /nfs/dbraw/zinc/17/44/81/398174481.db2.gz MUGURCGXKNBZDD-MNOVXSKESA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000558618839 322952405 /nfs/dbraw/zinc/95/24/05/322952405.db2.gz MUGURCGXKNBZDD-QWRGUYRKSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000558618840 398174508 /nfs/dbraw/zinc/17/45/08/398174508.db2.gz MUGURCGXKNBZDD-WDEREUQCSA-N 1 0 243.297 3.756 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000558635165 487810069 /nfs/dbraw/zinc/81/00/69/487810069.db2.gz JQGNGYMWNVJIIT-CYBMUJFWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000558635166 322952787 /nfs/dbraw/zinc/95/27/87/322952787.db2.gz JQGNGYMWNVJIIT-ZDUSSCGKSA-N 1 0 245.357 3.836 20 0 BHADRO C=Cc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000558650913 384231109 /nfs/dbraw/zinc/23/11/09/384231109.db2.gz MXNDGKSHHHNGFO-UHFFFAOYSA-N 1 0 241.378 3.650 20 0 BHADRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccoc1 ZINC000558654235 491122632 /nfs/dbraw/zinc/12/26/32/491122632.db2.gz TWXPQVCRMHOVCJ-LLVKDONJSA-N 1 0 242.322 3.727 20 0 BHADRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccoc1 ZINC000558654236 322953258 /nfs/dbraw/zinc/95/32/58/322953258.db2.gz TWXPQVCRMHOVCJ-NSHDSACASA-N 1 0 242.322 3.727 20 0 BHADRO CC(C)(C[NH2+]Cc1ccccc1F)C(F)(F)F ZINC000558680856 322953520 /nfs/dbraw/zinc/95/35/20/322953520.db2.gz QZCSAVULZIBQOS-UHFFFAOYSA-N 1 0 249.251 3.504 20 0 BHADRO CC(C)(C[NH2+]Cc1ccc(F)cc1)C(F)(F)F ZINC000558680873 491122755 /nfs/dbraw/zinc/12/27/55/491122755.db2.gz ZBLZBXRYADRGOT-UHFFFAOYSA-N 1 0 249.251 3.504 20 0 BHADRO CCc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000558694608 322953914 /nfs/dbraw/zinc/95/39/14/322953914.db2.gz JGAAROKZJVRQJS-UHFFFAOYSA-N 1 0 229.367 3.527 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558697863 322953897 /nfs/dbraw/zinc/95/38/97/322953897.db2.gz HIOFOAVWZQQCAO-RVMXOQNASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558697865 322953915 /nfs/dbraw/zinc/95/39/15/322953915.db2.gz HIOFOAVWZQQCAO-WUHRBBMRSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558697867 322953887 /nfs/dbraw/zinc/95/38/87/322953887.db2.gz HIOFOAVWZQQCAO-XQHKEYJVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558697868 322953880 /nfs/dbraw/zinc/95/38/80/322953880.db2.gz HIOFOAVWZQQCAO-YVECIDJPSA-N 1 0 243.341 3.590 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000558698053 322953823 /nfs/dbraw/zinc/95/38/23/322953823.db2.gz OVOMDVBEFMHPLG-SMLCLMEVSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000558698058 322953910 /nfs/dbraw/zinc/95/39/10/322953910.db2.gz OVOMDVBEFMHPLG-VIQHNZTISA-N 1 0 241.378 3.711 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558698664 322954032 /nfs/dbraw/zinc/95/40/32/322954032.db2.gz XBHTVZFVOGVUGC-PHKINGBFSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558698665 384251902 /nfs/dbraw/zinc/25/19/02/384251902.db2.gz XBHTVZFVOGVUGC-UGGSBELWSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558698666 384251809 /nfs/dbraw/zinc/25/18/09/384251809.db2.gz XBHTVZFVOGVUGC-YVFQKMDQSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558698667 384251964 /nfs/dbraw/zinc/25/19/64/384251964.db2.gz XBHTVZFVOGVUGC-ZWMNYZCKSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699216 322954005 /nfs/dbraw/zinc/95/40/05/322954005.db2.gz DOHOITDEEIXARR-IMJJTQAJSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699222 322954027 /nfs/dbraw/zinc/95/40/27/322954027.db2.gz DOHOITDEEIXARR-NUEKZKHPSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699639 322954051 /nfs/dbraw/zinc/95/40/51/322954051.db2.gz ZIPZWJHRBVJTBT-CAVOSLQRSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699640 322954053 /nfs/dbraw/zinc/95/40/53/322954053.db2.gz ZIPZWJHRBVJTBT-FAXLKDOZSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699641 384251755 /nfs/dbraw/zinc/25/17/55/384251755.db2.gz ZIPZWJHRBVJTBT-FIRUKDTASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699642 322954133 /nfs/dbraw/zinc/95/41/33/322954133.db2.gz ZIPZWJHRBVJTBT-GMZLATJGSA-N 1 0 247.357 3.535 20 0 BHADRO CCc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699697 384251870 /nfs/dbraw/zinc/25/18/70/384251870.db2.gz GHEIJNMGJAZUDH-BBWFWOEESA-N 1 0 243.394 3.570 20 0 BHADRO CCc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699698 384251442 /nfs/dbraw/zinc/25/14/42/384251442.db2.gz GHEIJNMGJAZUDH-GVDBMIGSSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCSC(C)C)C1 ZINC000558724269 384261886 /nfs/dbraw/zinc/26/18/86/384261886.db2.gz BJORHUGFNGVUDV-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCSC(C)C)C1 ZINC000558724280 384260971 /nfs/dbraw/zinc/26/09/71/384260971.db2.gz BJORHUGFNGVUDV-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558733453 398199892 /nfs/dbraw/zinc/19/98/92/398199892.db2.gz BPOABFUJKXQBHY-UHFFFAOYSA-N 1 0 219.328 3.559 20 0 BHADRO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC000558733988 398200326 /nfs/dbraw/zinc/20/03/26/398200326.db2.gz JZEQMLYTUGJGKU-BJWYYQGGSA-N 1 0 241.378 3.807 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CCCCC2)nc1 ZINC000558734146 398200046 /nfs/dbraw/zinc/20/00/46/398200046.db2.gz NJPCPGZDDYDYLI-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO COC(C)(C)CC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000558734716 398200343 /nfs/dbraw/zinc/20/03/43/398200343.db2.gz RUALECYGEYTEGA-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CC1=C(c2ccco2)C[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000558734949 384268214 /nfs/dbraw/zinc/26/82/14/384268214.db2.gz XNDUVHKCCOIPIO-AWEZNQCLSA-N 1 0 243.350 3.868 20 0 BHADRO CC1=C(c2ccco2)C[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000558734972 384266561 /nfs/dbraw/zinc/26/65/61/384266561.db2.gz XNDUVHKCCOIPIO-CQSZACIVSA-N 1 0 243.350 3.868 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558737219 384268680 /nfs/dbraw/zinc/26/86/80/384268680.db2.gz XPCFEORFRFJXCH-GHMZBOCLSA-N 1 0 249.320 3.839 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558737220 384267642 /nfs/dbraw/zinc/26/76/42/384267642.db2.gz XPCFEORFRFJXCH-MNOVXSKESA-N 1 0 249.320 3.839 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558737221 384266823 /nfs/dbraw/zinc/26/68/23/384266823.db2.gz XPCFEORFRFJXCH-QWRGUYRKSA-N 1 0 249.320 3.839 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558737222 384268312 /nfs/dbraw/zinc/26/83/12/384268312.db2.gz XPCFEORFRFJXCH-WDEREUQCSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000558778325 384287532 /nfs/dbraw/zinc/28/75/32/384287532.db2.gz BMIPIVUDLMBJGK-FUJMWEONSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000558778329 384288173 /nfs/dbraw/zinc/28/81/73/384288173.db2.gz BMIPIVUDLMBJGK-VEAWUBTESA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)CCC[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000558782021 322955105 /nfs/dbraw/zinc/95/51/05/322955105.db2.gz FDRVGRYZKAUUSQ-BBWFWOEESA-N 1 0 243.394 3.598 20 0 BHADRO CC(C)CCC[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000558782022 384284531 /nfs/dbraw/zinc/28/45/31/384284531.db2.gz FDRVGRYZKAUUSQ-BRWVUGGUSA-N 1 0 243.394 3.598 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558789027 322955125 /nfs/dbraw/zinc/95/51/25/322955125.db2.gz HKFYMYXJFGBUGP-APIJFGDWSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000558789029 490303604 /nfs/dbraw/zinc/30/36/04/490303604.db2.gz HKFYMYXJFGBUGP-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000558789031 490303998 /nfs/dbraw/zinc/30/39/98/490303998.db2.gz HKFYMYXJFGBUGP-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558789032 490304042 /nfs/dbraw/zinc/30/40/42/490304042.db2.gz HKFYMYXJFGBUGP-XQLPTFJDSA-N 1 0 241.419 3.604 20 0 BHADRO CC1=C(C)C[N@H+](Cc2sccc2Cl)CC1 ZINC000558830833 398216834 /nfs/dbraw/zinc/21/68/34/398216834.db2.gz FYZRBHAYBAKWEO-UHFFFAOYSA-N 1 0 241.787 3.944 20 0 BHADRO CO[C@H](C[N@@H+]1CCCCC[C@H]1C)c1ccccc1 ZINC000558832119 384320968 /nfs/dbraw/zinc/32/09/68/384320968.db2.gz ZDIXPVHHJZWTQK-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@H](C[N@@H+]1CCCCC[C@@H]1C)c1ccccc1 ZINC000558832122 384320951 /nfs/dbraw/zinc/32/09/51/384320951.db2.gz ZDIXPVHHJZWTQK-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@@H](C[N@@H+]1CCCCC[C@@H]1C)c1ccccc1 ZINC000558832123 384320961 /nfs/dbraw/zinc/32/09/61/384320961.db2.gz ZDIXPVHHJZWTQK-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CO[C@@H](C[N@@H+]1CCCCC[C@H]1C)c1ccccc1 ZINC000558832126 384321070 /nfs/dbraw/zinc/32/10/70/384321070.db2.gz ZDIXPVHHJZWTQK-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000558851089 631268193 /nfs/dbraw/zinc/26/81/93/631268193.db2.gz PSARVIHOIGEMSS-JTQLQIEISA-N 1 0 241.787 3.633 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000558851090 631268029 /nfs/dbraw/zinc/26/80/29/631268029.db2.gz PSARVIHOIGEMSS-SNVBAGLBSA-N 1 0 241.787 3.633 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864775 384345017 /nfs/dbraw/zinc/34/50/17/384345017.db2.gz BDHSVEHSEQKICC-NEPJUHHUSA-N 1 0 249.345 3.516 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864777 384344941 /nfs/dbraw/zinc/34/49/41/384344941.db2.gz BDHSVEHSEQKICC-RYUDHWBXSA-N 1 0 249.345 3.516 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920824 384403136 /nfs/dbraw/zinc/40/31/36/384403136.db2.gz AVYNPWHFVGPAOA-KCXAZCMYSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558920825 322956672 /nfs/dbraw/zinc/95/66/72/322956672.db2.gz AVYNPWHFVGPAOA-RCBQFDQVSA-N 1 0 229.367 3.711 20 0 BHADRO C([NH2+]C1CCC2(CC2)CC1)C(C1CC1)C1CC1 ZINC000558946600 384428741 /nfs/dbraw/zinc/42/87/41/384428741.db2.gz WVXXTMDVNOATTM-UHFFFAOYSA-N 1 0 233.399 3.735 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CC2)c(OC(C)C)c1 ZINC000558967639 322957143 /nfs/dbraw/zinc/95/71/43/322957143.db2.gz SMLNQQKXHGFLNP-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000558968235 322957207 /nfs/dbraw/zinc/95/72/07/322957207.db2.gz KFTTXPOFGBXRHR-HLIUYOAVSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000558968236 322957205 /nfs/dbraw/zinc/95/72/05/322957205.db2.gz KFTTXPOFGBXRHR-VQCLRJIVSA-N 1 0 231.383 3.958 20 0 BHADRO CCC(CC)[NH2+]CC1CC(c2ccccc2)C1 ZINC000558975777 344098512 /nfs/dbraw/zinc/09/85/12/344098512.db2.gz BVGLECYTJWSBCS-UHFFFAOYSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558976269 344099319 /nfs/dbraw/zinc/09/93/19/344099319.db2.gz DJFDCVPECRNYPW-LXTVHRRPSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000558976270 344099112 /nfs/dbraw/zinc/09/91/12/344099112.db2.gz DJFDCVPECRNYPW-NFAWXSAZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558976271 344099336 /nfs/dbraw/zinc/09/93/36/344099336.db2.gz DJFDCVPECRNYPW-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](CC)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000558976272 344099056 /nfs/dbraw/zinc/09/90/56/344099056.db2.gz DJFDCVPECRNYPW-YDHLFZDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)C1CC([NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000559001206 384467127 /nfs/dbraw/zinc/46/71/27/384467127.db2.gz CYUGUAUXCIENJT-DNOWBOINSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000559001208 384467415 /nfs/dbraw/zinc/46/74/15/384467415.db2.gz CYUGUAUXCIENJT-OPFPJEHXSA-N 1 0 249.402 3.549 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(C)C ZINC000559049092 384500675 /nfs/dbraw/zinc/50/06/75/384500675.db2.gz FKAHBBMLDVWUIR-UHFFFAOYSA-N 1 0 248.414 3.855 20 0 BHADRO CCC[N@H+](CC)Cc1cccc(F)c1Cl ZINC000559049196 384503017 /nfs/dbraw/zinc/50/30/17/384503017.db2.gz HNIPTLMLQYIQQB-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO CC[N@H+](CCC1(OC)CCC1)C1CCCCC1 ZINC000559049345 384503216 /nfs/dbraw/zinc/50/32/16/384503216.db2.gz LQGWAJHNCXFWQY-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)cc1C ZINC000559071237 384513640 /nfs/dbraw/zinc/51/36/40/384513640.db2.gz MSOJRONZWNYWJG-DOMZBBRYSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)cc1C ZINC000559071241 384514769 /nfs/dbraw/zinc/51/47/69/384514769.db2.gz MSOJRONZWNYWJG-IUODEOHRSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)cc1C ZINC000559071242 384513109 /nfs/dbraw/zinc/51/31/09/384513109.db2.gz MSOJRONZWNYWJG-SWLSCSKDSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)C2)cc1C ZINC000559071243 384513493 /nfs/dbraw/zinc/51/34/93/384513493.db2.gz MSOJRONZWNYWJG-WFASDCNBSA-N 1 0 247.382 3.624 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC2(C)CC2)CC1 ZINC000559072274 398264071 /nfs/dbraw/zinc/26/40/71/398264071.db2.gz ATLYLMMHBVZSPC-UHFFFAOYSA-N 1 0 231.339 3.559 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC(C)(C)C)CC1 ZINC000559072608 398263836 /nfs/dbraw/zinc/26/38/36/398263836.db2.gz HMYGCXVJOMOGRT-UHFFFAOYSA-N 1 0 233.355 3.805 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1cncs1 ZINC000559072801 398264135 /nfs/dbraw/zinc/26/41/35/398264135.db2.gz LTSALYLNRABYDP-LLVKDONJSA-N 1 0 238.400 3.544 20 0 BHADRO CC1C[NH+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000559073828 384518043 /nfs/dbraw/zinc/51/80/43/384518043.db2.gz YCLLARDNWCEPQT-UHFFFAOYSA-N 1 0 237.346 3.805 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000559080482 384523882 /nfs/dbraw/zinc/52/38/82/384523882.db2.gz BXRQJXJHAOIUPM-LLVKDONJSA-N 1 0 245.357 3.838 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000559080483 384523253 /nfs/dbraw/zinc/52/32/53/384523253.db2.gz BXRQJXJHAOIUPM-NSHDSACASA-N 1 0 245.357 3.838 20 0 BHADRO CC1(C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000559085724 384525760 /nfs/dbraw/zinc/52/57/60/384525760.db2.gz FYTVWOZQBCFYQQ-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000559094902 384535263 /nfs/dbraw/zinc/53/52/63/384535263.db2.gz QGNLMHPTMHUZJW-CYBMUJFWSA-N 1 0 248.414 3.991 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000559094903 384533329 /nfs/dbraw/zinc/53/33/29/384533329.db2.gz QGNLMHPTMHUZJW-ZDUSSCGKSA-N 1 0 248.414 3.991 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC1CC1 ZINC000559101545 384542289 /nfs/dbraw/zinc/54/22/89/384542289.db2.gz OLWNBUDPSSLLNQ-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC1CC1 ZINC000559101548 384543537 /nfs/dbraw/zinc/54/35/37/384543537.db2.gz OLWNBUDPSSLLNQ-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCC1CC1 ZINC000559101551 384542846 /nfs/dbraw/zinc/54/28/46/384542846.db2.gz OLWNBUDPSSLLNQ-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCC1CC1 ZINC000559101555 384543253 /nfs/dbraw/zinc/54/32/53/384543253.db2.gz OLWNBUDPSSLLNQ-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@H]1C=CCCCCC1 ZINC000559106587 344127654 /nfs/dbraw/zinc/12/76/54/344127654.db2.gz ZPTHSXZQARBELR-HNNXBMFYSA-N 1 0 239.403 3.622 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000559106588 344127977 /nfs/dbraw/zinc/12/79/77/344127977.db2.gz ZPTHSXZQARBELR-OAHLLOKOSA-N 1 0 239.403 3.622 20 0 BHADRO C[N@H+](Cc1cccc(O)c1)[C@H]1C=CCCCCC1 ZINC000559106840 384551416 /nfs/dbraw/zinc/55/14/16/384551416.db2.gz HUZLCYGHWLDAOC-HNNXBMFYSA-N 1 0 245.366 3.713 20 0 BHADRO C[N@H+](Cc1cccc(O)c1)[C@@H]1C=CCCCCC1 ZINC000559106841 384548745 /nfs/dbraw/zinc/54/87/45/384548745.db2.gz HUZLCYGHWLDAOC-OAHLLOKOSA-N 1 0 245.366 3.713 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000559107326 384557619 /nfs/dbraw/zinc/55/76/19/384557619.db2.gz JSRKHSOMEXDQCT-KBPBESRZSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000559107328 384559027 /nfs/dbraw/zinc/55/90/27/384559027.db2.gz JSRKHSOMEXDQCT-KGLIPLIRSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559107329 384559110 /nfs/dbraw/zinc/55/91/10/384559110.db2.gz JSRKHSOMEXDQCT-UONOGXRCSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559107330 384557682 /nfs/dbraw/zinc/55/76/82/384557682.db2.gz JSRKHSOMEXDQCT-ZIAGYGMSSA-N 1 0 207.361 3.607 20 0 BHADRO C1=C[C@H]([N@@H+]2CCC3(CCC3)C2)CCCCC1 ZINC000559107348 384556931 /nfs/dbraw/zinc/55/69/31/384556931.db2.gz KNJHFERDWOXOPG-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCC3(CCC3)C2)CCCCC1 ZINC000559107356 384559070 /nfs/dbraw/zinc/55/90/70/384559070.db2.gz KNJHFERDWOXOPG-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000559108901 384559252 /nfs/dbraw/zinc/55/92/52/384559252.db2.gz RGVRTMIPOHKODS-HNNXBMFYSA-N 1 0 219.372 3.609 20 0 BHADRO CC1(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000559108903 384556197 /nfs/dbraw/zinc/55/61/97/384556197.db2.gz RGVRTMIPOHKODS-OAHLLOKOSA-N 1 0 219.372 3.609 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(F)c1Cl ZINC000559144689 384603459 /nfs/dbraw/zinc/60/34/59/384603459.db2.gz SRJCJPRWQCJRFX-SECBINFHSA-N 1 0 229.726 3.709 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(F)c1Cl ZINC000559144690 384604558 /nfs/dbraw/zinc/60/45/58/384604558.db2.gz SRJCJPRWQCJRFX-VIFPVBQESA-N 1 0 229.726 3.709 20 0 BHADRO c1cc2c(s1)C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000559145679 384603812 /nfs/dbraw/zinc/60/38/12/384603812.db2.gz PLXFCHFFMPMUDC-AWEZNQCLSA-N 1 0 247.407 3.995 20 0 BHADRO c1cc2c(s1)C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000559145682 384605288 /nfs/dbraw/zinc/60/52/88/384605288.db2.gz PLXFCHFFMPMUDC-CQSZACIVSA-N 1 0 247.407 3.995 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCC1(OC)CCC1 ZINC000559149518 384606561 /nfs/dbraw/zinc/60/65/61/384606561.db2.gz HATBDTLJWMHRIB-AWEZNQCLSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCC1(OC)CCC1 ZINC000559149519 384606946 /nfs/dbraw/zinc/60/69/46/384606946.db2.gz HATBDTLJWMHRIB-CQSZACIVSA-N 1 0 239.403 3.600 20 0 BHADRO CCOc1ccccc1C[N@H+](CC)C1CCCC1 ZINC000559152074 398266556 /nfs/dbraw/zinc/26/65/56/398266556.db2.gz XQHDBSLQSZLCFC-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(CC)cn1 ZINC000559247909 384866896 /nfs/dbraw/zinc/86/68/96/384866896.db2.gz NGGDPJUVMLGNED-CYBMUJFWSA-N 1 0 234.387 3.655 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(CC)cn1 ZINC000559247911 384867393 /nfs/dbraw/zinc/86/73/93/384867393.db2.gz NGGDPJUVMLGNED-ZDUSSCGKSA-N 1 0 234.387 3.655 20 0 BHADRO c1cc2c(o1)CCC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000559247948 384866316 /nfs/dbraw/zinc/86/63/16/384866316.db2.gz JLFOZBRCPQJUMR-HNNXBMFYSA-N 1 0 245.366 3.917 20 0 BHADRO c1cc2c(o1)CCC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000559247949 384866984 /nfs/dbraw/zinc/86/69/84/384866984.db2.gz JLFOZBRCPQJUMR-OAHLLOKOSA-N 1 0 245.366 3.917 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(COC)cc1 ZINC000559248258 384868510 /nfs/dbraw/zinc/86/85/10/384868510.db2.gz QHULFDVTXVIWGH-AWEZNQCLSA-N 1 0 249.398 3.844 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(COC)cc1 ZINC000559248260 384869476 /nfs/dbraw/zinc/86/94/76/384869476.db2.gz QHULFDVTXVIWGH-CQSZACIVSA-N 1 0 249.398 3.844 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000559248673 384875563 /nfs/dbraw/zinc/87/55/63/384875563.db2.gz XZJLSHXEDQXYJK-AWEZNQCLSA-N 1 0 233.355 3.909 20 0 BHADRO Cc1ccoc1C[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000559248674 384880740 /nfs/dbraw/zinc/88/07/40/384880740.db2.gz XZJLSHXEDQXYJK-CQSZACIVSA-N 1 0 233.355 3.909 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000559259883 398286702 /nfs/dbraw/zinc/28/67/02/398286702.db2.gz KBWOIYQKVWMSIU-GFCCVEGCSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000559259884 398286960 /nfs/dbraw/zinc/28/69/60/398286960.db2.gz KBWOIYQKVWMSIU-LBPRGKRZSA-N 1 0 239.334 3.503 20 0 BHADRO Cc1sccc1C[NH2+]CCc1ccc(C)cc1 ZINC000559267218 384928342 /nfs/dbraw/zinc/92/83/42/384928342.db2.gz LQJSNTUTRMMTAX-UHFFFAOYSA-N 1 0 245.391 3.697 20 0 BHADRO Cc1sccc1C[NH2+]C/C=C/c1ccccc1 ZINC000559269984 384939177 /nfs/dbraw/zinc/93/91/77/384939177.db2.gz CIGAPOGKDRXXJF-VMPITWQZSA-N 1 0 243.375 3.860 20 0 BHADRO Cc1sccc1C[NH2+]C/C=C\c1ccccc1 ZINC000559269985 322961419 /nfs/dbraw/zinc/96/14/19/322961419.db2.gz CIGAPOGKDRXXJF-YVMONPNESA-N 1 0 243.375 3.860 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]Cc1conc1C ZINC000559282265 384960825 /nfs/dbraw/zinc/96/08/25/384960825.db2.gz JCWQXEBPDNBTAP-CYBMUJFWSA-N 1 0 238.375 3.679 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]Cc1conc1C ZINC000559282266 384960345 /nfs/dbraw/zinc/96/03/45/384960345.db2.gz JCWQXEBPDNBTAP-ZDUSSCGKSA-N 1 0 238.375 3.679 20 0 BHADRO Fc1ccccc1[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000559302336 385008568 /nfs/dbraw/zinc/00/85/68/385008568.db2.gz JVDDWRYZYUJNDP-KBPBESRZSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccccc1[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000559302369 385008329 /nfs/dbraw/zinc/00/83/29/385008329.db2.gz JVDDWRYZYUJNDP-KGLIPLIRSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccccc1[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000559302371 385005868 /nfs/dbraw/zinc/00/58/68/385005868.db2.gz JVDDWRYZYUJNDP-UONOGXRCSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000559302372 385006951 /nfs/dbraw/zinc/00/69/51/385006951.db2.gz JVDDWRYZYUJNDP-ZIAGYGMSSA-N 1 0 245.341 3.724 20 0 BHADRO CC1(C[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000559311990 385022465 /nfs/dbraw/zinc/02/24/65/385022465.db2.gz BFJCGPJCXVHTHY-HOCLYGCPSA-N 1 0 229.367 3.570 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000559321268 322962945 /nfs/dbraw/zinc/96/29/45/322962945.db2.gz FXMJQGZPSJFUCX-UHFFFAOYSA-N 1 0 235.346 3.740 20 0 BHADRO CCCc1cccc(C[NH2+]C(C)(C)COCC)c1 ZINC000559321436 385049484 /nfs/dbraw/zinc/04/94/84/385049484.db2.gz CRJDJXFCMPQOJV-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000559324343 322963109 /nfs/dbraw/zinc/96/31/09/322963109.db2.gz UNRJLMUIVMPEFS-CHWSQXEVSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000559324344 322963119 /nfs/dbraw/zinc/96/31/19/322963119.db2.gz UNRJLMUIVMPEFS-OLZOCXBDSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000559324345 322963137 /nfs/dbraw/zinc/96/31/37/322963137.db2.gz UNRJLMUIVMPEFS-QWHCGFSZSA-N 1 0 239.309 3.568 20 0 BHADRO CC(F)(F)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000559324346 322963139 /nfs/dbraw/zinc/96/31/39/322963139.db2.gz UNRJLMUIVMPEFS-STQMWFEESA-N 1 0 239.309 3.568 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCOC(C)(C)C ZINC000559326625 322963129 /nfs/dbraw/zinc/96/31/29/322963129.db2.gz QGOBEHXETULOIC-UHFFFAOYSA-N 1 0 249.398 3.635 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000559326630 322963179 /nfs/dbraw/zinc/96/31/79/322963179.db2.gz QIJYKPKVCMZDNV-AWEZNQCLSA-N 1 0 229.367 3.928 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000559326632 385062389 /nfs/dbraw/zinc/06/23/89/385062389.db2.gz QIJYKPKVCMZDNV-CQSZACIVSA-N 1 0 229.367 3.928 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]CCCCCF ZINC000559326666 322963156 /nfs/dbraw/zinc/96/31/56/322963156.db2.gz YSTMWLKJBDZYNG-UHFFFAOYSA-N 1 0 237.362 3.960 20 0 BHADRO CC(C)C1([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000559326811 322963136 /nfs/dbraw/zinc/96/31/36/322963136.db2.gz CLRCYZINKFIQBO-UHFFFAOYSA-N 1 0 246.329 3.585 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1(C(C)C)CC1 ZINC000559328187 322963118 /nfs/dbraw/zinc/96/31/18/322963118.db2.gz QFNKGBWMUBBDKQ-KAMYIIQDSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1(C(C)C)CC1 ZINC000559328188 385062768 /nfs/dbraw/zinc/06/27/68/385062768.db2.gz QFNKGBWMUBBDKQ-SDNWHVSQSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000559330636 322963141 /nfs/dbraw/zinc/96/31/41/322963141.db2.gz HPCYDULBFRRIML-AEGPPILISA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000559330637 322963203 /nfs/dbraw/zinc/96/32/03/322963203.db2.gz HPCYDULBFRRIML-CFVMTHIKSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000559330639 322963172 /nfs/dbraw/zinc/96/31/72/322963172.db2.gz HPCYDULBFRRIML-NWANDNLSSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000559330640 385065892 /nfs/dbraw/zinc/06/58/92/385065892.db2.gz HPCYDULBFRRIML-QEJZJMRPSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H]([NH2+]CCc1cc2ccccc2s1)C1CC1 ZINC000559330853 322963282 /nfs/dbraw/zinc/96/32/82/322963282.db2.gz SVUYCKQMWHZBDO-LLVKDONJSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]([NH2+]CCc1cc2ccccc2s1)C1CC1 ZINC000559330854 385066947 /nfs/dbraw/zinc/06/69/47/385066947.db2.gz SVUYCKQMWHZBDO-NSHDSACASA-N 1 0 245.391 3.832 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000559332780 385075957 /nfs/dbraw/zinc/07/59/57/385075957.db2.gz POSYHWDUVOMYIU-DZGCQCFKSA-N 1 0 237.362 3.908 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000559332781 322963238 /nfs/dbraw/zinc/96/32/38/322963238.db2.gz POSYHWDUVOMYIU-HIFRSBDPSA-N 1 0 237.362 3.908 20 0 BHADRO CCC[C@H](C[NH2+]CC[C@@H](C)F)c1ccccc1 ZINC000559332783 385075704 /nfs/dbraw/zinc/07/57/04/385075704.db2.gz POSYHWDUVOMYIU-UKRRQHHQSA-N 1 0 237.362 3.908 20 0 BHADRO CCC[C@@H](C[NH2+]CC[C@H](C)F)c1ccccc1 ZINC000559332784 322963285 /nfs/dbraw/zinc/96/32/85/322963285.db2.gz POSYHWDUVOMYIU-ZFWWWQNUSA-N 1 0 237.362 3.908 20 0 BHADRO Cc1cccc(CCC[NH2+]C2(C(C)C)CC2)c1 ZINC000559334391 322963432 /nfs/dbraw/zinc/96/34/32/322963432.db2.gz VCAZIZRCSFLAHA-UHFFFAOYSA-N 1 0 231.383 3.706 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559334808 385081955 /nfs/dbraw/zinc/08/19/55/385081955.db2.gz MRJVBWQKQOARNS-BPUTZDHNSA-N 1 0 231.383 3.816 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559334809 385082230 /nfs/dbraw/zinc/08/22/30/385082230.db2.gz MRJVBWQKQOARNS-KBMXLJTQSA-N 1 0 231.383 3.816 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)[C@H]1C ZINC000559349957 383898571 /nfs/dbraw/zinc/89/85/71/383898571.db2.gz VYYZRVOZFVIOJJ-BKGLOODYSA-N 1 0 235.758 3.693 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)[C@@H]1C ZINC000559349958 383898689 /nfs/dbraw/zinc/89/86/89/383898689.db2.gz VYYZRVOZFVIOJJ-BLDJZWNYSA-N 1 0 235.758 3.693 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)[C@H]1C ZINC000559349959 383899863 /nfs/dbraw/zinc/89/98/63/383899863.db2.gz VYYZRVOZFVIOJJ-LXYZTQFVSA-N 1 0 235.758 3.693 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)[C@@H]1C ZINC000559349960 383899936 /nfs/dbraw/zinc/89/99/36/383899936.db2.gz VYYZRVOZFVIOJJ-OPVGQWETSA-N 1 0 235.758 3.693 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000559350515 383919325 /nfs/dbraw/zinc/91/93/25/383919325.db2.gz NDNBNEBIKSSQKM-GMTAPVOTSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000559350519 383918698 /nfs/dbraw/zinc/91/86/98/383918698.db2.gz NDNBNEBIKSSQKM-MXWKQRLJSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000559350520 383918254 /nfs/dbraw/zinc/91/82/54/383918254.db2.gz NDNBNEBIKSSQKM-OUAUKWLOSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000559350521 383919132 /nfs/dbraw/zinc/91/91/32/383919132.db2.gz NDNBNEBIKSSQKM-VWYCJHECSA-N 1 0 223.747 3.741 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000559352708 384042921 /nfs/dbraw/zinc/04/29/21/384042921.db2.gz IDFAVRIOWAYBCC-NXEZZACHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000559352709 384042229 /nfs/dbraw/zinc/04/22/29/384042229.db2.gz IDFAVRIOWAYBCC-UWVGGRQHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000559352710 384042802 /nfs/dbraw/zinc/04/28/02/384042802.db2.gz IDFAVRIOWAYBCC-VHSXEESVSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000559352711 384042543 /nfs/dbraw/zinc/04/25/43/384042543.db2.gz IDFAVRIOWAYBCC-ZJUUUORDSA-N 1 0 243.272 3.546 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000559358230 384184701 /nfs/dbraw/zinc/18/47/01/384184701.db2.gz GYVRYVUWECGYKY-CABCVRRESA-N 1 0 235.346 3.790 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000559359234 384185225 /nfs/dbraw/zinc/18/52/25/384185225.db2.gz PXBZOVNKOOVQRW-JKSUJKDBSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@H]1CCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000559359463 322968881 /nfs/dbraw/zinc/96/88/81/322968881.db2.gz RTFNHIPSIAPGHI-UONOGXRCSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000559359773 384185494 /nfs/dbraw/zinc/18/54/94/384185494.db2.gz RTFNHIPSIAPGHI-KGLIPLIRSA-N 1 0 239.378 3.970 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000559359894 384185115 /nfs/dbraw/zinc/18/51/15/384185115.db2.gz WVYVROBRNAIHLT-CWRNSKLLSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000559359895 384185764 /nfs/dbraw/zinc/18/57/64/384185764.db2.gz WVYVROBRNAIHLT-VNQPRFMTSA-N 1 0 249.373 3.736 20 0 BHADRO CCc1nocc1C[N@H+](C)[C@H]1C=CCCCCC1 ZINC000559371416 384222624 /nfs/dbraw/zinc/22/26/24/384222624.db2.gz QFAOKDPVYGKSHZ-AWEZNQCLSA-N 1 0 248.370 3.558 20 0 BHADRO CCc1nocc1C[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000559371421 384223414 /nfs/dbraw/zinc/22/34/14/384223414.db2.gz QFAOKDPVYGKSHZ-CQSZACIVSA-N 1 0 248.370 3.558 20 0 BHADRO C[N@H+](C[C@H]1CCC2(CCCCC2)O1)C(C)(C)C ZINC000559374681 384240168 /nfs/dbraw/zinc/24/01/68/384240168.db2.gz NNKKAGGCTUABGZ-CYBMUJFWSA-N 1 0 239.403 3.599 20 0 BHADRO C[N@H+](C[C@@H]1CCC2(CCCCC2)O1)C(C)(C)C ZINC000559374682 384240197 /nfs/dbraw/zinc/24/01/97/384240197.db2.gz NNKKAGGCTUABGZ-ZDUSSCGKSA-N 1 0 239.403 3.599 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1ccon1 ZINC000559385599 384269014 /nfs/dbraw/zinc/26/90/14/384269014.db2.gz BQRIFOQOEBNWKV-CYBMUJFWSA-N 1 0 238.375 3.855 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1ccon1 ZINC000559385602 384270043 /nfs/dbraw/zinc/27/00/43/384270043.db2.gz BQRIFOQOEBNWKV-ZDUSSCGKSA-N 1 0 238.375 3.855 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)CCC1(O)CC1 ZINC000559388958 384511811 /nfs/dbraw/zinc/51/18/11/384511811.db2.gz WRKLPWXUBIKSQS-AWEZNQCLSA-N 1 0 241.419 3.582 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)CCC1(O)CC1 ZINC000559388960 384511648 /nfs/dbraw/zinc/51/16/48/384511648.db2.gz WRKLPWXUBIKSQS-CQSZACIVSA-N 1 0 241.419 3.582 20 0 BHADRO FC[C@@H]1CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC000559410410 384899029 /nfs/dbraw/zinc/89/90/29/384899029.db2.gz CHLDIYDGIHABJL-INIZCTEOSA-N 1 0 247.357 3.888 20 0 BHADRO FC[C@H]1CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC000559410412 384899090 /nfs/dbraw/zinc/89/90/90/384899090.db2.gz CHLDIYDGIHABJL-MRXNPFEDSA-N 1 0 247.357 3.888 20 0 BHADRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CF)cc1 ZINC000559411850 384901311 /nfs/dbraw/zinc/90/13/11/384901311.db2.gz YWGBRKJWPBWTTA-HNNXBMFYSA-N 1 0 235.346 3.744 20 0 BHADRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC000559411852 384900862 /nfs/dbraw/zinc/90/08/62/384900862.db2.gz YWGBRKJWPBWTTA-OAHLLOKOSA-N 1 0 235.346 3.744 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000559469356 322976529 /nfs/dbraw/zinc/97/65/29/322976529.db2.gz KMMFOWWMBDWLEG-APHBMKBZSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000559469357 322976522 /nfs/dbraw/zinc/97/65/22/322976522.db2.gz KMMFOWWMBDWLEG-MAZHCROVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000559469358 384946613 /nfs/dbraw/zinc/94/66/13/384946613.db2.gz KMMFOWWMBDWLEG-RCBQFDQVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000559469359 384944469 /nfs/dbraw/zinc/94/44/69/384944469.db2.gz KMMFOWWMBDWLEG-VBNZEHGJSA-N 1 0 243.394 3.957 20 0 BHADRO Cc1cc(Cl)cc(C)c1C[NH+]1CCCC1 ZINC000559473139 384950200 /nfs/dbraw/zinc/95/02/00/384950200.db2.gz LABTWDFQWFKOPV-UHFFFAOYSA-N 1 0 223.747 3.553 20 0 BHADRO CCCC[N@H+](CCC[C@H](C)O)C1CCCCC1 ZINC000559479708 384955105 /nfs/dbraw/zinc/95/51/05/384955105.db2.gz MMGPGUIAPALZQT-AWEZNQCLSA-N 1 0 241.419 3.582 20 0 BHADRO CCCC[N@H+](CCC[C@@H](C)O)C1CCCCC1 ZINC000559479709 344480281 /nfs/dbraw/zinc/48/02/81/344480281.db2.gz MMGPGUIAPALZQT-CQSZACIVSA-N 1 0 241.419 3.582 20 0 BHADRO CC(C)[C@@H]1C[N@H+](CCCC(C)(C)C)CCCO1 ZINC000559496604 384970947 /nfs/dbraw/zinc/97/09/47/384970947.db2.gz DNBYEDMNUDSDNU-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@H]1C[N@H+](CCCC(C)(C)C)CCCO1 ZINC000559496606 384969944 /nfs/dbraw/zinc/96/99/44/384969944.db2.gz DNBYEDMNUDSDNU-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CCc1cnc(C[N@@H+]2CCCC23CCCCC3)o1 ZINC000559753499 385154469 /nfs/dbraw/zinc/15/44/69/385154469.db2.gz JJKMDDJFXQWHCG-UHFFFAOYSA-N 1 0 248.370 3.536 20 0 BHADRO CC[N@H+](Cc1ccccn1)[C@H]1C=CCCCCC1 ZINC000559793805 385177815 /nfs/dbraw/zinc/17/78/15/385177815.db2.gz PNLOGFACZFVCBZ-INIZCTEOSA-N 1 0 244.382 3.792 20 0 BHADRO CC[N@H+](Cc1ccccn1)[C@@H]1C=CCCCCC1 ZINC000559793806 385176453 /nfs/dbraw/zinc/17/64/53/385176453.db2.gz PNLOGFACZFVCBZ-MRXNPFEDSA-N 1 0 244.382 3.792 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000559853667 385195781 /nfs/dbraw/zinc/19/57/81/385195781.db2.gz AYHMGNAVBGZONH-SDDRHHMPSA-N 1 0 243.341 3.733 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000559853670 385197044 /nfs/dbraw/zinc/19/70/44/385197044.db2.gz AYHMGNAVBGZONH-SRVKXCTJSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)[C@@]1(C)CCCO1 ZINC000559854057 322980487 /nfs/dbraw/zinc/98/04/87/322980487.db2.gz HBZZXZCKSNJKDG-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@]1(C)CCCO1 ZINC000559854059 385197831 /nfs/dbraw/zinc/19/78/31/385197831.db2.gz HBZZXZCKSNJKDG-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@@]1(C)CCCO1 ZINC000559854061 322980437 /nfs/dbraw/zinc/98/04/37/322980437.db2.gz HBZZXZCKSNJKDG-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)[C@]1(C)CCCO1 ZINC000559854063 385196875 /nfs/dbraw/zinc/19/68/75/385196875.db2.gz HBZZXZCKSNJKDG-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1CC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559861603 385202020 /nfs/dbraw/zinc/20/20/20/385202020.db2.gz AHXMGSJOXWIOSG-DIOPAYRDSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000559861642 385202114 /nfs/dbraw/zinc/20/21/14/385202114.db2.gz BIOVVYJNYHUYHY-BPUTZDHNSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000559861643 385202415 /nfs/dbraw/zinc/20/24/15/385202415.db2.gz BIOVVYJNYHUYHY-FVQBIDKESA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559861898 385201954 /nfs/dbraw/zinc/20/19/54/385201954.db2.gz DKROCEHJMHSIMM-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559861899 322980439 /nfs/dbraw/zinc/98/04/39/322980439.db2.gz DKROCEHJMHSIMM-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559861900 385202877 /nfs/dbraw/zinc/20/28/77/385202877.db2.gz DKROCEHJMHSIMM-XABYNWHXSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559861901 385202387 /nfs/dbraw/zinc/20/23/87/385202387.db2.gz DKROCEHJMHSIMM-YUDUHTQSSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000559862239 322980478 /nfs/dbraw/zinc/98/04/78/322980478.db2.gz CEJGKKHAVMXFBJ-DJSGYFEHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000559862240 322980440 /nfs/dbraw/zinc/98/04/40/322980440.db2.gz CEJGKKHAVMXFBJ-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000559863516 385201990 /nfs/dbraw/zinc/20/19/90/385201990.db2.gz PFNVCMHACLWKNE-AJNGGQMLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000559863517 322980433 /nfs/dbraw/zinc/98/04/33/322980433.db2.gz PFNVCMHACLWKNE-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000559863518 385201538 /nfs/dbraw/zinc/20/15/38/385201538.db2.gz PFNVCMHACLWKNE-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000559863519 385203048 /nfs/dbraw/zinc/20/30/48/385203048.db2.gz PFNVCMHACLWKNE-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CCC1 ZINC000559865525 385199107 /nfs/dbraw/zinc/19/91/07/385199107.db2.gz RMNIFEBTGLVXJE-DJSGYFEHSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CCC1 ZINC000559865526 385200705 /nfs/dbraw/zinc/20/07/05/385200705.db2.gz RMNIFEBTGLVXJE-PJODQICGSA-N 1 0 247.357 3.850 20 0 BHADRO CC1(C)CC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000559867407 385202180 /nfs/dbraw/zinc/20/21/80/385202180.db2.gz RRYZUSXBJWHWIG-MQMHXKEQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000559870254 322980615 /nfs/dbraw/zinc/98/06/15/322980615.db2.gz FDPAJPXWFAGKPK-CXAGYDPISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000559870256 322980512 /nfs/dbraw/zinc/98/05/12/322980512.db2.gz FDPAJPXWFAGKPK-DYVFJYSZSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000559870258 385205843 /nfs/dbraw/zinc/20/58/43/385205843.db2.gz FDPAJPXWFAGKPK-GUYCJALGSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000559870259 322980589 /nfs/dbraw/zinc/98/05/89/322980589.db2.gz FDPAJPXWFAGKPK-SUMWQHHRSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1(C)CC1 ZINC000559870943 385205847 /nfs/dbraw/zinc/20/58/47/385205847.db2.gz KVNIUUQCDXELJG-BBRMVZONSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1(C)CC1 ZINC000559870945 322980505 /nfs/dbraw/zinc/98/05/05/322980505.db2.gz KVNIUUQCDXELJG-CJNGLKHVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1(C)CC1 ZINC000559870946 385205728 /nfs/dbraw/zinc/20/57/28/385205728.db2.gz KVNIUUQCDXELJG-CZUORRHYSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1(C)CC1 ZINC000559870948 385205514 /nfs/dbraw/zinc/20/55/14/385205514.db2.gz KVNIUUQCDXELJG-XJKSGUPXSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)C)no1 ZINC000559871292 322980577 /nfs/dbraw/zinc/98/05/77/322980577.db2.gz LJBMSQHJOORRPY-LLVKDONJSA-N 1 0 238.375 3.706 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C(C)(C)C)no1 ZINC000559871293 385205646 /nfs/dbraw/zinc/20/56/46/385205646.db2.gz LJBMSQHJOORRPY-NSHDSACASA-N 1 0 238.375 3.706 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000559871851 385205700 /nfs/dbraw/zinc/20/57/00/385205700.db2.gz PHKPIDMYKUOFPB-INIZCTEOSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000559871852 322980595 /nfs/dbraw/zinc/98/05/95/322980595.db2.gz PHKPIDMYKUOFPB-MRXNPFEDSA-N 1 0 243.394 3.958 20 0 BHADRO CC(C)C1CC([NH2+]Cc2coc3ccccc23)C1 ZINC000559875953 385208502 /nfs/dbraw/zinc/20/85/02/385208502.db2.gz BEIGOBRKBUMSNH-UHFFFAOYSA-N 1 0 243.350 3.957 20 0 BHADRO CCC1CC([NH2+][C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000559878146 385212886 /nfs/dbraw/zinc/21/28/86/385212886.db2.gz JZNYHDXRNUSLNX-DISOXQEGSA-N 1 0 229.367 3.711 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000559879326 322980674 /nfs/dbraw/zinc/98/06/74/322980674.db2.gz RCMWMYLXBNOQNY-GRTSSRMGSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000559879338 322980699 /nfs/dbraw/zinc/98/06/99/322980699.db2.gz RCMWMYLXBNOQNY-LRVUVFPRSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000559880245 385205333 /nfs/dbraw/zinc/20/53/33/385205333.db2.gz GYBYTKMHZLDYEL-BBWFWOEESA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000559880246 322980507 /nfs/dbraw/zinc/98/05/07/322980507.db2.gz GYBYTKMHZLDYEL-ULQDDVLXSA-N 1 0 243.394 3.958 20 0 BHADRO CCCC(CCC)[NH2+]Cc1c(CC)noc1C ZINC000559881942 385209021 /nfs/dbraw/zinc/20/90/21/385209021.db2.gz FWLFJEGTUHDAGI-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1(C)CC1 ZINC000559882810 322980599 /nfs/dbraw/zinc/98/05/99/322980599.db2.gz RCKJBMATCYUJQE-KMFMINBZSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC(C)(F)F ZINC000559886655 385215853 /nfs/dbraw/zinc/21/58/53/385215853.db2.gz MNZDUQAZRCRIPH-CYBMUJFWSA-N 1 0 241.325 3.561 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC(C)(F)F ZINC000559886664 385215117 /nfs/dbraw/zinc/21/51/17/385215117.db2.gz MNZDUQAZRCRIPH-ZDUSSCGKSA-N 1 0 241.325 3.561 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559890507 322980653 /nfs/dbraw/zinc/98/06/53/322980653.db2.gz CQNMTBGPKIVFHJ-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559890508 385219586 /nfs/dbraw/zinc/21/95/86/385219586.db2.gz CQNMTBGPKIVFHJ-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559890509 322980655 /nfs/dbraw/zinc/98/06/55/322980655.db2.gz CQNMTBGPKIVFHJ-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559890510 385217430 /nfs/dbraw/zinc/21/74/30/385217430.db2.gz CQNMTBGPKIVFHJ-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C1([NH2+][C@H]2C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000559891400 322980783 /nfs/dbraw/zinc/98/07/83/322980783.db2.gz QWVPZFMWFLLKGU-BPUTZDHNSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)C1([NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000559891401 322980877 /nfs/dbraw/zinc/98/08/77/322980877.db2.gz QWVPZFMWFLLKGU-CWRNSKLLSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)C1([NH2+][C@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000559891402 322980874 /nfs/dbraw/zinc/98/08/74/322980874.db2.gz QWVPZFMWFLLKGU-IMJJTQAJSA-N 1 0 243.394 3.957 20 0 BHADRO CC(C)C1([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000559891403 385218583 /nfs/dbraw/zinc/21/85/83/385218583.db2.gz QWVPZFMWFLLKGU-NUEKZKHPSA-N 1 0 243.394 3.957 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC[C@H](C)F)C2CC2)cc1 ZINC000559891544 385217305 /nfs/dbraw/zinc/21/73/05/385217305.db2.gz BEELJENWODGLPO-BBRMVZONSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CC[C@@H](C)F)C2CC2)cc1 ZINC000559891545 322980876 /nfs/dbraw/zinc/98/08/76/322980876.db2.gz BEELJENWODGLPO-CJNGLKHVSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC[C@@H](C)F)C2CC2)cc1 ZINC000559891546 322980791 /nfs/dbraw/zinc/98/07/91/322980791.db2.gz BEELJENWODGLPO-CZUORRHYSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CC[C@H](C)F)C2CC2)cc1 ZINC000559891547 322980857 /nfs/dbraw/zinc/98/08/57/322980857.db2.gz BEELJENWODGLPO-XJKSGUPXSA-N 1 0 249.373 3.654 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000559891893 322980858 /nfs/dbraw/zinc/98/08/58/322980858.db2.gz FDNXIAQIEDBNEQ-BPUTZDHNSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000559891894 322980882 /nfs/dbraw/zinc/98/08/82/322980882.db2.gz FDNXIAQIEDBNEQ-CWRNSKLLSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000559891895 385217390 /nfs/dbraw/zinc/21/73/90/385217390.db2.gz FDNXIAQIEDBNEQ-IMJJTQAJSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000559891896 385217397 /nfs/dbraw/zinc/21/73/97/385217397.db2.gz FDNXIAQIEDBNEQ-NUEKZKHPSA-N 1 0 249.373 3.835 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559891978 322980805 /nfs/dbraw/zinc/98/08/05/322980805.db2.gz HMDAKQBEGFUQGL-CYBMUJFWSA-N 1 0 247.382 3.843 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000559891979 385217340 /nfs/dbraw/zinc/21/73/40/385217340.db2.gz HMDAKQBEGFUQGL-ZDUSSCGKSA-N 1 0 247.382 3.843 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000559892418 385219016 /nfs/dbraw/zinc/21/90/16/385219016.db2.gz DVAHXAHDTAOESS-INIZCTEOSA-N 1 0 241.378 3.807 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000559892425 322980868 /nfs/dbraw/zinc/98/08/68/322980868.db2.gz DVAHXAHDTAOESS-MRXNPFEDSA-N 1 0 241.378 3.807 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000559892672 385221740 /nfs/dbraw/zinc/22/17/40/385221740.db2.gz YJTZYIPCYRDKNF-CHWSQXEVSA-N 1 0 237.362 3.690 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000559892674 322980871 /nfs/dbraw/zinc/98/08/71/322980871.db2.gz YJTZYIPCYRDKNF-OLZOCXBDSA-N 1 0 237.362 3.690 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)C(C)(C)c1ccccc1 ZINC000559892676 385221462 /nfs/dbraw/zinc/22/14/62/385221462.db2.gz YJTZYIPCYRDKNF-QWHCGFSZSA-N 1 0 237.362 3.690 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000559892678 385221654 /nfs/dbraw/zinc/22/16/54/385221654.db2.gz YJTZYIPCYRDKNF-STQMWFEESA-N 1 0 237.362 3.690 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000559892851 322980801 /nfs/dbraw/zinc/98/08/01/322980801.db2.gz ZSZNNFTZBLERCE-KBPBESRZSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000559892852 322980824 /nfs/dbraw/zinc/98/08/24/322980824.db2.gz ZSZNNFTZBLERCE-KGLIPLIRSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000559892854 385221644 /nfs/dbraw/zinc/22/16/44/385221644.db2.gz ZSZNNFTZBLERCE-UONOGXRCSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000559892856 385221551 /nfs/dbraw/zinc/22/15/51/385221551.db2.gz ZSZNNFTZBLERCE-ZIAGYGMSSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H](C)F)cc1 ZINC000559893105 322980802 /nfs/dbraw/zinc/98/08/02/322980802.db2.gz NEFKGUPBHOXPAH-BPUTZDHNSA-N 1 0 249.373 3.969 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H](C)F)cc1 ZINC000559893112 385221790 /nfs/dbraw/zinc/22/17/90/385221790.db2.gz NEFKGUPBHOXPAH-CWRNSKLLSA-N 1 0 249.373 3.969 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@@H](C)F)cc1 ZINC000559893115 322980796 /nfs/dbraw/zinc/98/07/96/322980796.db2.gz NEFKGUPBHOXPAH-KBMXLJTQSA-N 1 0 249.373 3.969 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@@H](C)F)cc1 ZINC000559893118 385221355 /nfs/dbraw/zinc/22/13/55/385221355.db2.gz NEFKGUPBHOXPAH-VNQPRFMTSA-N 1 0 249.373 3.969 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000559894581 385220422 /nfs/dbraw/zinc/22/04/22/385220422.db2.gz RUGMGKNITUBECN-KBPBESRZSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000559894586 385220753 /nfs/dbraw/zinc/22/07/53/385220753.db2.gz RUGMGKNITUBECN-KGLIPLIRSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)C1([NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000559894588 322980883 /nfs/dbraw/zinc/98/08/83/322980883.db2.gz RUGMGKNITUBECN-UONOGXRCSA-N 1 0 231.383 3.957 20 0 BHADRO CC(C)C1([NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000559894589 322980782 /nfs/dbraw/zinc/98/07/82/322980782.db2.gz RUGMGKNITUBECN-ZIAGYGMSSA-N 1 0 231.383 3.957 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000559895501 322980961 /nfs/dbraw/zinc/98/09/61/322980961.db2.gz RGJQMNXCQWXYCR-GFCCVEGCSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000559895502 385220765 /nfs/dbraw/zinc/22/07/65/385220765.db2.gz ZVYKQSYVOCAUSV-BXUZGUMPSA-N 1 0 235.346 3.747 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000559895507 385220618 /nfs/dbraw/zinc/22/06/18/385220618.db2.gz ZVYKQSYVOCAUSV-FZMZJTMJSA-N 1 0 235.346 3.747 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000559895509 322980962 /nfs/dbraw/zinc/98/09/62/322980962.db2.gz RGJQMNXCQWXYCR-LBPRGKRZSA-N 1 0 237.293 3.553 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000559895510 322980968 /nfs/dbraw/zinc/98/09/68/322980968.db2.gz ZVYKQSYVOCAUSV-RISCZKNCSA-N 1 0 235.346 3.747 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000559895514 385220863 /nfs/dbraw/zinc/22/08/63/385220863.db2.gz ZVYKQSYVOCAUSV-SMDDNHRTSA-N 1 0 235.346 3.747 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1F)C(C)(C)C ZINC000559895674 385220688 /nfs/dbraw/zinc/22/06/88/385220688.db2.gz ZVVYJCCJZZUUHV-GWCFXTLKSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1F)C(C)(C)C ZINC000559895675 385221022 /nfs/dbraw/zinc/22/10/22/385221022.db2.gz ZVVYJCCJZZUUHV-GXFFZTMASA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1F)C(C)(C)C ZINC000559895676 385220708 /nfs/dbraw/zinc/22/07/08/385220708.db2.gz ZVVYJCCJZZUUHV-MFKMUULPSA-N 1 0 238.350 3.696 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1F)C(C)(C)C ZINC000559895677 385222017 /nfs/dbraw/zinc/22/20/17/385222017.db2.gz ZVVYJCCJZZUUHV-ZWNOBZJWSA-N 1 0 238.350 3.696 20 0 BHADRO Cc1cccc(CC[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000559896043 385220554 /nfs/dbraw/zinc/22/05/54/385220554.db2.gz WKIRRBOKFAHFFG-INIZCTEOSA-N 1 0 229.367 3.626 20 0 BHADRO Cc1cccc(CC[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000559896044 385220827 /nfs/dbraw/zinc/22/08/27/385220827.db2.gz WKIRRBOKFAHFFG-MRXNPFEDSA-N 1 0 229.367 3.626 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000559897656 385220889 /nfs/dbraw/zinc/22/08/89/385220889.db2.gz PCVPYOQBMWXPSA-ULQDDVLXSA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000559897657 385221769 /nfs/dbraw/zinc/22/17/69/385221769.db2.gz PCVPYOQBMWXPSA-YESZJQIVSA-N 1 0 243.394 3.814 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000559897858 385220993 /nfs/dbraw/zinc/22/09/93/385220993.db2.gz SMCCBTKHAUREEF-LUKYLMHMSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000559897859 385221080 /nfs/dbraw/zinc/22/10/80/385221080.db2.gz SMCCBTKHAUREEF-QAETUUGQSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000559897860 385221039 /nfs/dbraw/zinc/22/10/39/385221039.db2.gz SMCCBTKHAUREEF-VVLHAWIVSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000559897861 322980960 /nfs/dbraw/zinc/98/09/60/322980960.db2.gz SMCCBTKHAUREEF-YVSFHVDLSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccco1 ZINC000559899147 385225214 /nfs/dbraw/zinc/22/52/14/385225214.db2.gz KNQQKPNNZKXQFS-SNPRPXQTSA-N 1 0 241.334 3.734 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C(C)(C)O ZINC000559900548 322981027 /nfs/dbraw/zinc/98/10/27/322981027.db2.gz UYNWMCUHUDXVJW-IHRRRGAJSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C(C)(C)O ZINC000559900549 322981024 /nfs/dbraw/zinc/98/10/24/322981024.db2.gz UYNWMCUHUDXVJW-MCIONIFRSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C(C)(C)O ZINC000559900550 322981034 /nfs/dbraw/zinc/98/10/34/322981034.db2.gz UYNWMCUHUDXVJW-MJBXVCDLSA-N 1 0 243.435 3.586 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C(C)(C)O ZINC000559900551 322981030 /nfs/dbraw/zinc/98/10/30/322981030.db2.gz UYNWMCUHUDXVJW-RDBSUJKOSA-N 1 0 243.435 3.586 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000559900789 385224074 /nfs/dbraw/zinc/22/40/74/385224074.db2.gz LUXOSJJLRVPORY-GDBMZVCRSA-N 1 0 229.367 3.879 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000559900790 322981029 /nfs/dbraw/zinc/98/10/29/322981029.db2.gz LUXOSJJLRVPORY-GOEBONIOSA-N 1 0 229.367 3.879 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000559900792 385223492 /nfs/dbraw/zinc/22/34/92/385223492.db2.gz LUXOSJJLRVPORY-HOCLYGCPSA-N 1 0 229.367 3.879 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000559900793 322981023 /nfs/dbraw/zinc/98/10/23/322981023.db2.gz LUXOSJJLRVPORY-ZBFHGGJFSA-N 1 0 229.367 3.879 20 0 BHADRO CC1=CC[C@H](Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000559908874 385223247 /nfs/dbraw/zinc/22/32/47/385223247.db2.gz FPWCWFWIKNFBIU-HNNXBMFYSA-N 1 0 244.382 3.659 20 0 BHADRO CC1=CC[C@@H](Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000559908875 385223676 /nfs/dbraw/zinc/22/36/76/385223676.db2.gz FPWCWFWIKNFBIU-OAHLLOKOSA-N 1 0 244.382 3.659 20 0 BHADRO CCCC[C@@H](COC)[NH2+]CCC(C)(C)C1CC1 ZINC000559912394 322981293 /nfs/dbraw/zinc/98/12/93/322981293.db2.gz ZANWBZIEFLDTDK-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](COC)[NH2+]CCC(C)(C)C1CC1 ZINC000559912395 322981290 /nfs/dbraw/zinc/98/12/90/322981290.db2.gz ZANWBZIEFLDTDK-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H](C)C2 ZINC000559913099 344547281 /nfs/dbraw/zinc/54/72/81/344547281.db2.gz DDZAOIZFBXUHFO-BJKJVOPESA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H](C)C2 ZINC000559913100 344547182 /nfs/dbraw/zinc/54/71/82/344547182.db2.gz DDZAOIZFBXUHFO-BQDHKBFISA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H](C)C2 ZINC000559913101 344547256 /nfs/dbraw/zinc/54/72/56/344547256.db2.gz DDZAOIZFBXUHFO-FWYOQMDTSA-N 1 0 247.357 3.709 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H](C)C2 ZINC000559913102 344547078 /nfs/dbraw/zinc/54/70/78/344547078.db2.gz DDZAOIZFBXUHFO-MWNCTCPHSA-N 1 0 247.357 3.709 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000559913312 344547052 /nfs/dbraw/zinc/54/70/52/344547052.db2.gz IDDBYGBXKORTAE-BYCMXARLSA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000559913313 344547090 /nfs/dbraw/zinc/54/70/90/344547090.db2.gz IDDBYGBXKORTAE-DFBGVHRSSA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000559913314 344547324 /nfs/dbraw/zinc/54/73/24/344547324.db2.gz IDDBYGBXKORTAE-GLQYFDAESA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000559913315 344547318 /nfs/dbraw/zinc/54/73/18/344547318.db2.gz IDDBYGBXKORTAE-TUKIKUTGSA-N 1 0 235.346 3.790 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3F)C2)cc1 ZINC000559913431 344547287 /nfs/dbraw/zinc/54/72/87/344547287.db2.gz KVNUXJIBCFFBEN-SSHXOBKSSA-N 1 0 247.357 3.721 20 0 BHADRO Oc1cccc2c1CCC[C@@H]2[NH2+]CCCC1CC1 ZINC000559913719 344547216 /nfs/dbraw/zinc/54/72/16/344547216.db2.gz LNJJDMODVWQCTG-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1cccc2c1CCC[C@H]2[NH2+]CCCC1CC1 ZINC000559913720 344547266 /nfs/dbraw/zinc/54/72/66/344547266.db2.gz LNJJDMODVWQCTG-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)c1c(C)noc1C ZINC000559913777 344547854 /nfs/dbraw/zinc/54/78/54/344547854.db2.gz MXJNFQUJPRSFRR-KBPBESRZSA-N 1 0 248.370 3.831 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1c(C)noc1C ZINC000559913779 344547858 /nfs/dbraw/zinc/54/78/58/344547858.db2.gz MXJNFQUJPRSFRR-KGLIPLIRSA-N 1 0 248.370 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1c(C)noc1C ZINC000559913780 344548126 /nfs/dbraw/zinc/54/81/26/344548126.db2.gz MXJNFQUJPRSFRR-UONOGXRCSA-N 1 0 248.370 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1c(C)noc1C ZINC000559913782 344547958 /nfs/dbraw/zinc/54/79/58/344547958.db2.gz MXJNFQUJPRSFRR-ZIAGYGMSSA-N 1 0 248.370 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000559913811 344547679 /nfs/dbraw/zinc/54/76/79/344547679.db2.gz NPGYTZQBVCNASL-RRFJBIMHSA-N 1 0 235.346 3.926 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000559914655 344548088 /nfs/dbraw/zinc/54/80/88/344548088.db2.gz GVRBAUHOVAKJQD-RRFJBIMHSA-N 1 0 235.346 3.864 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000559914657 344547723 /nfs/dbraw/zinc/54/77/23/344547723.db2.gz GVRBAUHOVAKJQD-ZNMIVQPWSA-N 1 0 235.346 3.864 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(F)c(F)c1 ZINC000559914968 344548102 /nfs/dbraw/zinc/54/81/02/344548102.db2.gz AVNOGOVPJWMMAV-YDEJPDAXSA-N 1 0 243.272 3.506 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000559916496 398331382 /nfs/dbraw/zinc/33/13/82/398331382.db2.gz RNEFIOOTPUQAQZ-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000559916498 322981139 /nfs/dbraw/zinc/98/11/39/322981139.db2.gz RNEFIOOTPUQAQZ-YUELXQCFSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H](C)c1ccccc1 ZINC000559916958 322981058 /nfs/dbraw/zinc/98/10/58/322981058.db2.gz OFCDWFXVBNBZRZ-MYZSUADSSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000559916959 322981068 /nfs/dbraw/zinc/98/10/68/322981068.db2.gz OFCDWFXVBNBZRZ-NZBPQXDJSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H](C)c1ccccc1 ZINC000559916961 322981069 /nfs/dbraw/zinc/98/10/69/322981069.db2.gz OFCDWFXVBNBZRZ-PAPYEOQZSA-N 1 0 235.346 3.659 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H](C)c1ccccc1 ZINC000559916964 322981045 /nfs/dbraw/zinc/98/10/45/322981045.db2.gz OFCDWFXVBNBZRZ-RJZRQDKASA-N 1 0 235.346 3.659 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000559917148 398331474 /nfs/dbraw/zinc/33/14/74/398331474.db2.gz VXXZCOQVPOLGKO-AMMHQNNLSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@H]1c1ccccc1 ZINC000559917149 322981086 /nfs/dbraw/zinc/98/10/86/322981086.db2.gz VXXZCOQVPOLGKO-BPKBQXTESA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559917150 322981057 /nfs/dbraw/zinc/98/10/57/322981057.db2.gz VXXZCOQVPOLGKO-HVQZGBDUSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559917151 398331374 /nfs/dbraw/zinc/33/13/74/398331374.db2.gz VXXZCOQVPOLGKO-SLZITWOASA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cc(F)cc(F)c1 ZINC000559917752 398331404 /nfs/dbraw/zinc/33/14/04/398331404.db2.gz XKIIVYPEPVIAPA-WQHBLYJGSA-N 1 0 243.272 3.506 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000559918467 398331654 /nfs/dbraw/zinc/33/16/54/398331654.db2.gz GZPZCFSXHNCGBC-CHUNWDLHSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000559918468 398331652 /nfs/dbraw/zinc/33/16/52/398331652.db2.gz GZPZCFSXHNCGBC-WGIXJMRHSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)C(C)(C)c1ccccc1 ZINC000559919210 385228648 /nfs/dbraw/zinc/22/86/48/385228648.db2.gz MDEMMDYZSRZNNR-CFVMTHIKSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)C(C)(C)c1ccccc1 ZINC000559919211 322981122 /nfs/dbraw/zinc/98/11/22/322981122.db2.gz MDEMMDYZSRZNNR-YUELXQCFSA-N 1 0 249.373 3.833 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccccc1F ZINC000559919219 322981047 /nfs/dbraw/zinc/98/10/47/322981047.db2.gz MFIYQCIHGRQWRS-MCIONIFRSA-N 1 0 239.309 3.757 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000559919330 385229218 /nfs/dbraw/zinc/22/92/18/385229218.db2.gz MZVPBYLDUJXDLR-RRFJBIMHSA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000559919927 322981302 /nfs/dbraw/zinc/98/13/02/322981302.db2.gz RFIBBVQJYOCKFK-HRCADAONSA-N 1 0 249.373 3.796 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000559919929 322981211 /nfs/dbraw/zinc/98/12/11/322981211.db2.gz RFIBBVQJYOCKFK-OWCLPIDISA-N 1 0 249.373 3.796 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cc(F)cc(F)c1 ZINC000559920396 385228742 /nfs/dbraw/zinc/22/87/42/385228742.db2.gz XKIIVYPEPVIAPA-OXHMUOHRSA-N 1 0 243.272 3.506 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000559921120 322981276 /nfs/dbraw/zinc/98/12/76/322981276.db2.gz PHCITRAHVXNSAY-DZGCQCFKSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000559921122 385232894 /nfs/dbraw/zinc/23/28/94/385232894.db2.gz PHCITRAHVXNSAY-HIFRSBDPSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000559921123 385230996 /nfs/dbraw/zinc/23/09/96/385230996.db2.gz PHCITRAHVXNSAY-UKRRQHHQSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000559921125 385231961 /nfs/dbraw/zinc/23/19/61/385231961.db2.gz PHCITRAHVXNSAY-ZFWWWQNUSA-N 1 0 241.419 3.606 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000559921910 322981209 /nfs/dbraw/zinc/98/12/09/322981209.db2.gz NIRJJCKUGWXXKH-IKGGRYGDSA-N 1 0 241.378 3.706 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000559921911 385232154 /nfs/dbraw/zinc/23/21/54/385232154.db2.gz NIRJJCKUGWXXKH-IXDOHACOSA-N 1 0 241.378 3.706 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000559921912 322981288 /nfs/dbraw/zinc/98/12/88/322981288.db2.gz NIRJJCKUGWXXKH-ULQDDVLXSA-N 1 0 241.378 3.706 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000559921913 322981256 /nfs/dbraw/zinc/98/12/56/322981256.db2.gz NIRJJCKUGWXXKH-YESZJQIVSA-N 1 0 241.378 3.706 20 0 BHADRO CCC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000559944186 322981432 /nfs/dbraw/zinc/98/14/32/322981432.db2.gz LWCUGHSGSWATDT-UHFFFAOYSA-N 1 0 245.288 3.940 20 0 BHADRO C[N@@H+]1CCCC[C@H]1CCSCc1ccccc1 ZINC000559946524 385248950 /nfs/dbraw/zinc/24/89/50/385248950.db2.gz DNJPNNJYGDDVCG-HNNXBMFYSA-N 1 0 249.423 3.794 20 0 BHADRO C[N@@H+]1CCCC[C@@H]1CCSCc1ccccc1 ZINC000559946529 385249982 /nfs/dbraw/zinc/24/99/82/385249982.db2.gz DNJPNNJYGDDVCG-OAHLLOKOSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000559978889 385273045 /nfs/dbraw/zinc/27/30/45/385273045.db2.gz IAEPKTOOIHVOBZ-JTQLQIEISA-N 1 0 227.298 3.614 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000559978890 385274545 /nfs/dbraw/zinc/27/45/45/385274545.db2.gz IAEPKTOOIHVOBZ-SNVBAGLBSA-N 1 0 227.298 3.614 20 0 BHADRO CCC(CC)SCC[C@H]1CCCC[N@@H+]1C ZINC000559981908 385275885 /nfs/dbraw/zinc/27/58/85/385275885.db2.gz GVPPQBYDEJLFJM-GFCCVEGCSA-N 1 0 229.433 3.783 20 0 BHADRO CCC(CC)SCC[C@@H]1CCCC[N@@H+]1C ZINC000559981911 385276906 /nfs/dbraw/zinc/27/69/06/385276906.db2.gz GVPPQBYDEJLFJM-LBPRGKRZSA-N 1 0 229.433 3.783 20 0 BHADRO C[N@@H+]1CCCC[C@@H]1CCSc1cccs1 ZINC000559982140 385276097 /nfs/dbraw/zinc/27/60/97/385276097.db2.gz SOSIRKSHMNZERJ-LLVKDONJSA-N 1 0 241.425 3.715 20 0 BHADRO C[N@@H+]1CCCC[C@H]1CCSc1cccs1 ZINC000559982141 385276612 /nfs/dbraw/zinc/27/66/12/385276612.db2.gz SOSIRKSHMNZERJ-NSHDSACASA-N 1 0 241.425 3.715 20 0 BHADRO CC(C)=CCSCC[C@H]1CCCC[N@H+]1C ZINC000560002172 383838301 /nfs/dbraw/zinc/83/83/01/383838301.db2.gz LXVDGAHMJSVTHX-CYBMUJFWSA-N 1 0 227.417 3.560 20 0 BHADRO CC(C)=CCSCC[C@@H]1CCCC[N@H+]1C ZINC000560002173 383838141 /nfs/dbraw/zinc/83/81/41/383838141.db2.gz LXVDGAHMJSVTHX-ZDUSSCGKSA-N 1 0 227.417 3.560 20 0 BHADRO C[N@@H+]1CCCC[C@@H]1CCSCC(C)(C)C ZINC000560002458 383836886 /nfs/dbraw/zinc/83/68/86/383836886.db2.gz WICXRBXGQUOMIA-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO C[N@@H+]1CCCC[C@H]1CCSCC(C)(C)C ZINC000560002460 383835931 /nfs/dbraw/zinc/83/59/31/383835931.db2.gz WICXRBXGQUOMIA-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO c1cc(OC2CCCC2)ccc1C[NH2+]CC1CC1 ZINC000560049210 383864209 /nfs/dbraw/zinc/86/42/09/383864209.db2.gz NYZCRZUGDCFEKI-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO CCCCC[N@H+](Cc1ccncc1C)C(C)C ZINC000560103395 383899939 /nfs/dbraw/zinc/89/99/39/383899939.db2.gz OOWULZWZSNTHOB-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000560119105 322983123 /nfs/dbraw/zinc/98/31/23/322983123.db2.gz XTMVNNZJFWJKQU-RFQIPJPRSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000560119109 383912058 /nfs/dbraw/zinc/91/20/58/383912058.db2.gz XTMVNNZJFWJKQU-RQJABVFESA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560124938 322983089 /nfs/dbraw/zinc/98/30/89/322983089.db2.gz BXRNPHVWPKDQKT-QKGCVVFFSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560124939 322983128 /nfs/dbraw/zinc/98/31/28/322983128.db2.gz BXRNPHVWPKDQKT-SEBNEYGDSA-N 1 0 239.403 3.501 20 0 BHADRO c1nc(C2CC2)sc1C[NH2+]CC1=CCCCC1 ZINC000560140505 383925751 /nfs/dbraw/zinc/92/57/51/383925751.db2.gz NJXKWPKMUPEGDO-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO C[N@H+](CCCCCF)Cc1ccc(Cl)s1 ZINC000560156781 383934197 /nfs/dbraw/zinc/93/41/97/383934197.db2.gz AYUPRKLZOSCWQE-UHFFFAOYSA-N 1 0 249.782 3.973 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000560156890 383934608 /nfs/dbraw/zinc/93/46/08/383934608.db2.gz GGFLCONVVDGVLF-HNNXBMFYSA-N 1 0 235.346 3.963 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000560156891 383933985 /nfs/dbraw/zinc/93/39/85/383933985.db2.gz GGFLCONVVDGVLF-OAHLLOKOSA-N 1 0 235.346 3.963 20 0 BHADRO CC(C)C[NH+](CCCCCF)CC(C)C ZINC000560157229 322983286 /nfs/dbraw/zinc/98/32/86/322983286.db2.gz NUXAECXIAMYMMB-UHFFFAOYSA-N 1 0 217.372 3.740 20 0 BHADRO CC(C)[N@H+](CCCCCF)C1CCCC1 ZINC000560158876 383937677 /nfs/dbraw/zinc/93/76/77/383937677.db2.gz FFCWZMWULSDURC-UHFFFAOYSA-N 1 0 215.356 3.779 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000560159128 383936519 /nfs/dbraw/zinc/93/65/19/383936519.db2.gz JMRLTDLULMVGBG-HNNXBMFYSA-N 1 0 239.378 3.949 20 0 BHADRO FCCCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000560159134 383938829 /nfs/dbraw/zinc/93/88/29/383938829.db2.gz JMRLTDLULMVGBG-OAHLLOKOSA-N 1 0 239.378 3.949 20 0 BHADRO C[C@@H](C[N@H+](C)CCCCCF)c1ccccc1 ZINC000560159368 383933901 /nfs/dbraw/zinc/93/39/01/383933901.db2.gz JQNSVLGYRIYNIV-AWEZNQCLSA-N 1 0 237.362 3.862 20 0 BHADRO C[C@H](C[N@H+](C)CCCCCF)c1ccccc1 ZINC000560159369 383934783 /nfs/dbraw/zinc/93/47/83/383934783.db2.gz JQNSVLGYRIYNIV-CQSZACIVSA-N 1 0 237.362 3.862 20 0 BHADRO FCCCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000560159806 383948222 /nfs/dbraw/zinc/94/82/22/383948222.db2.gz PXIYPQGOVFNBJD-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCCCF ZINC000560159810 383949142 /nfs/dbraw/zinc/94/91/42/383949142.db2.gz SMYHSFUPTPCMPB-HZSPNIEDSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCCCF ZINC000560159812 383949928 /nfs/dbraw/zinc/94/99/28/383949928.db2.gz SMYHSFUPTPCMPB-MCIONIFRSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCCCF ZINC000560159814 383948055 /nfs/dbraw/zinc/94/80/55/383948055.db2.gz SMYHSFUPTPCMPB-MGPQQGTHSA-N 1 0 227.367 3.779 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCCCF ZINC000560159815 383950175 /nfs/dbraw/zinc/95/01/75/383950175.db2.gz SMYHSFUPTPCMPB-RDBSUJKOSA-N 1 0 227.367 3.779 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CCCCCF)C1 ZINC000560159845 383948772 /nfs/dbraw/zinc/94/87/72/383948772.db2.gz UPDDXQYBGLBJBF-HNNXBMFYSA-N 1 0 249.373 3.924 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000560159847 383949893 /nfs/dbraw/zinc/94/98/93/383949893.db2.gz UPDDXQYBGLBJBF-OAHLLOKOSA-N 1 0 249.373 3.924 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCCCCF ZINC000560160288 383947577 /nfs/dbraw/zinc/94/75/77/383947577.db2.gz ZEGGYDRIEKJYNL-CYBMUJFWSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCCCCF ZINC000560160290 383949440 /nfs/dbraw/zinc/94/94/40/383949440.db2.gz ZEGGYDRIEKJYNL-ZDUSSCGKSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@@H]2CCCC[C@H]21 ZINC000560162648 383943999 /nfs/dbraw/zinc/94/39/99/383943999.db2.gz VGTSVILWFOFMPH-HZSPNIEDSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@H]2CCCC[C@H]12 ZINC000560162649 383944433 /nfs/dbraw/zinc/94/44/33/383944433.db2.gz VGTSVILWFOFMPH-MCIONIFRSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@@H]2CCCC[C@@H]21 ZINC000560162650 383945667 /nfs/dbraw/zinc/94/56/67/383945667.db2.gz VGTSVILWFOFMPH-MGPQQGTHSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@H]2CCCC[C@@H]12 ZINC000560162651 383943846 /nfs/dbraw/zinc/94/38/46/383943846.db2.gz VGTSVILWFOFMPH-RDBSUJKOSA-N 1 0 227.367 3.637 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]CCCCCF)c1 ZINC000560164463 322983566 /nfs/dbraw/zinc/98/35/66/322983566.db2.gz BUVOJIRIVQEAAM-UHFFFAOYSA-N 1 0 237.362 3.960 20 0 BHADRO CC(C)([NH2+]CCCCCF)c1cccc(F)c1 ZINC000560164784 322983450 /nfs/dbraw/zinc/98/34/50/322983450.db2.gz PRBASHSHQWDVSA-UHFFFAOYSA-N 1 0 241.325 3.790 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CCCCCF)C2)cc1 ZINC000560165607 383948185 /nfs/dbraw/zinc/94/81/85/383948185.db2.gz GAMGPVXWBVFRQC-INIZCTEOSA-N 1 0 249.373 3.924 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CCCCCF)C2)cc1 ZINC000560165608 383948919 /nfs/dbraw/zinc/94/89/19/383948919.db2.gz GAMGPVXWBVFRQC-MRXNPFEDSA-N 1 0 249.373 3.924 20 0 BHADRO CC[N@H+](CCCc1ccsc1)C1CCCC1 ZINC000560168700 383948660 /nfs/dbraw/zinc/94/86/60/383948660.db2.gz SYKJZTBNAXUUSK-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO c1ccc(C2=CCC[N@@H+]([C@H]3C=CCCC3)C2)cc1 ZINC000560168829 383947877 /nfs/dbraw/zinc/94/78/77/383947877.db2.gz FWOYLQIKJQLIHE-KRWDZBQOSA-N 1 0 239.362 3.884 20 0 BHADRO c1ccc(C2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)cc1 ZINC000560168830 383948103 /nfs/dbraw/zinc/94/81/03/383948103.db2.gz FWOYLQIKJQLIHE-QGZVFWFLSA-N 1 0 239.362 3.884 20 0 BHADRO CC[N@H+](Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000560169305 383952041 /nfs/dbraw/zinc/95/20/41/383952041.db2.gz ROXPRVYXBMUUKO-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO FC(F)(F)CC1CC[NH+](CC2CCCC2)CC1 ZINC000560169629 322983565 /nfs/dbraw/zinc/98/35/65/322983565.db2.gz GIXGHCIMGIBUIW-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO COCC[N@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC000560185144 383953981 /nfs/dbraw/zinc/95/39/81/383953981.db2.gz PYOKJDINGWXHNC-HNNXBMFYSA-N 1 0 249.398 3.660 20 0 BHADRO COCC[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000560185145 383953689 /nfs/dbraw/zinc/95/36/89/383953689.db2.gz PYOKJDINGWXHNC-OAHLLOKOSA-N 1 0 249.398 3.660 20 0 BHADRO Clc1ccc(CC[NH+]2C3CCC2CC3)cc1 ZINC000560186222 322983705 /nfs/dbraw/zinc/98/37/05/322983705.db2.gz NCIWOSJFHBSVOX-UHFFFAOYSA-N 1 0 235.758 3.509 20 0 BHADRO CCC(=O)CCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000560186380 383958894 /nfs/dbraw/zinc/95/88/94/383958894.db2.gz CCNAEBZRLBNDNL-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCCCF ZINC000560196884 383967656 /nfs/dbraw/zinc/96/76/56/383967656.db2.gz ONLDYKUZZGBIHI-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCCF ZINC000560196885 383966487 /nfs/dbraw/zinc/96/64/87/383966487.db2.gz ONLDYKUZZGBIHI-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCCCF ZINC000560196886 383965991 /nfs/dbraw/zinc/96/59/91/383965991.db2.gz ONLDYKUZZGBIHI-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCCCF ZINC000560196887 383966533 /nfs/dbraw/zinc/96/65/33/383966533.db2.gz ONLDYKUZZGBIHI-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO Cc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC000560197562 383966578 /nfs/dbraw/zinc/96/65/78/383966578.db2.gz GWLBUJJYPYNFPU-UHFFFAOYSA-N 1 0 217.356 3.747 20 0 BHADRO Cc1cc(C[N@H+](C)CCCCCF)ccc1F ZINC000560197569 383965753 /nfs/dbraw/zinc/96/57/53/383965753.db2.gz GXCXLNUIOGGSBS-UHFFFAOYSA-N 1 0 241.325 3.706 20 0 BHADRO Cc1ccc(F)c(C[N@H+](C)CCCCCF)c1 ZINC000560198243 383967111 /nfs/dbraw/zinc/96/71/11/383967111.db2.gz KYBVCDALFASSAN-UHFFFAOYSA-N 1 0 241.325 3.706 20 0 BHADRO FCCCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000560198524 383966759 /nfs/dbraw/zinc/96/67/59/383966759.db2.gz JLJLUFHHIOYUAI-UHFFFAOYSA-N 1 0 227.367 3.782 20 0 BHADRO CCC1CC([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000560232430 322984408 /nfs/dbraw/zinc/98/44/08/322984408.db2.gz CXLXANCBCWVDSN-HLIUYOAVSA-N 1 0 231.383 3.958 20 0 BHADRO CCC1CC([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000560232431 322984431 /nfs/dbraw/zinc/98/44/31/322984431.db2.gz CXLXANCBCWVDSN-VQCLRJIVSA-N 1 0 231.383 3.958 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000560235269 383999620 /nfs/dbraw/zinc/99/96/20/383999620.db2.gz GGMKHMAGGXISIC-CKDBGZEDSA-N 1 0 243.394 3.885 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000560235270 383999161 /nfs/dbraw/zinc/99/91/61/383999161.db2.gz GGMKHMAGGXISIC-ISXOHVOVSA-N 1 0 243.394 3.885 20 0 BHADRO CCC1CC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000560235348 383998997 /nfs/dbraw/zinc/99/89/97/383998997.db2.gz QKJNTQQYACGJKT-DIOPAYRDSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCOCC1CCC1 ZINC000560236451 322984499 /nfs/dbraw/zinc/98/44/99/322984499.db2.gz UTHFJSVXEOKKDB-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCOCC1CCC1 ZINC000560236452 322984515 /nfs/dbraw/zinc/98/45/15/322984515.db2.gz UTHFJSVXEOKKDB-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000560236556 398333004 /nfs/dbraw/zinc/33/30/04/398333004.db2.gz YNPCUUFRFDIQBQ-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000560236557 322984482 /nfs/dbraw/zinc/98/44/82/322984482.db2.gz YNPCUUFRFDIQBQ-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO CCC1CC([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000560236591 398332983 /nfs/dbraw/zinc/33/29/83/398332983.db2.gz ZUMWOPDTWDYOHB-UHFFFAOYSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000560236833 322984507 /nfs/dbraw/zinc/98/45/07/322984507.db2.gz VDDLTTDPPRBSEH-AVVWSFFYSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000560236834 398332985 /nfs/dbraw/zinc/33/29/85/398332985.db2.gz VDDLTTDPPRBSEH-BCLQGDPASA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ncccc1F ZINC000560237060 322984503 /nfs/dbraw/zinc/98/45/03/322984503.db2.gz LXWJQLVNMFZIHK-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ncccc1F ZINC000560237061 384000812 /nfs/dbraw/zinc/00/08/12/384000812.db2.gz LXWJQLVNMFZIHK-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000560240813 384003107 /nfs/dbraw/zinc/00/31/07/384003107.db2.gz IHRXRUUCKGEJDF-AWEZNQCLSA-N 1 0 229.367 3.844 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000560240815 322984498 /nfs/dbraw/zinc/98/44/98/322984498.db2.gz IHRXRUUCKGEJDF-CQSZACIVSA-N 1 0 229.367 3.844 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CCC(C)(C)C)cn1 ZINC000560244174 384011860 /nfs/dbraw/zinc/01/18/60/384011860.db2.gz LFRLHILNRQQJFI-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CCC(C)(C)C)cn1 ZINC000560244175 322984587 /nfs/dbraw/zinc/98/45/87/322984587.db2.gz LFRLHILNRQQJFI-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)Sc2ccccc2)C1 ZINC000560244299 384011903 /nfs/dbraw/zinc/01/19/03/384011903.db2.gz BWQFBTQUNVGPIL-HSBZDZAISA-N 1 0 249.423 3.945 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)Sc2ccccc2)C1 ZINC000560244300 384010716 /nfs/dbraw/zinc/01/07/16/384010716.db2.gz BWQFBTQUNVGPIL-IYXRBSQSSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCc1ccccc1O ZINC000560244555 384009328 /nfs/dbraw/zinc/00/93/28/384009328.db2.gz MZWLYRZHAXTEEJ-CYBMUJFWSA-N 1 0 249.398 3.739 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCc1ccccc1O ZINC000560244556 322984709 /nfs/dbraw/zinc/98/47/09/322984709.db2.gz MZWLYRZHAXTEEJ-ZDUSSCGKSA-N 1 0 249.398 3.739 20 0 BHADRO CCC1CC([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000560244614 384011914 /nfs/dbraw/zinc/01/19/14/384011914.db2.gz CTQSIAUVKWAOKC-UHFFFAOYSA-N 1 0 247.382 3.622 20 0 BHADRO CCC1CC([NH2+]Cc2ccccc2OC(C)C)C1 ZINC000560244647 384010887 /nfs/dbraw/zinc/01/08/87/384010887.db2.gz DMIZAOIKNXSCER-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000560244880 384009199 /nfs/dbraw/zinc/00/91/99/384009199.db2.gz QDLFIUAGXFRLGV-AAEUAGOBSA-N 1 0 249.402 3.592 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000560244881 384011047 /nfs/dbraw/zinc/01/10/47/384011047.db2.gz QDLFIUAGXFRLGV-DGCLKSJQSA-N 1 0 249.402 3.592 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000560244882 384009798 /nfs/dbraw/zinc/00/97/98/384009798.db2.gz QDLFIUAGXFRLGV-WCQYABFASA-N 1 0 249.402 3.592 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000560244883 384011530 /nfs/dbraw/zinc/01/15/30/384011530.db2.gz QDLFIUAGXFRLGV-YPMHNXCESA-N 1 0 249.402 3.592 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000560245223 384014964 /nfs/dbraw/zinc/01/49/64/384014964.db2.gz UKEZJPLDZVMHDU-SEEARECTSA-N 1 0 229.367 3.761 20 0 BHADRO CCC1CC([NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000560245225 322984691 /nfs/dbraw/zinc/98/46/91/322984691.db2.gz UKEZJPLDZVMHDU-ZUEPYMLJSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@H]1CCCO1 ZINC000560245248 322984620 /nfs/dbraw/zinc/98/46/20/322984620.db2.gz UOOWVISMVXHUSE-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@@H]1CCCO1 ZINC000560245251 322984623 /nfs/dbraw/zinc/98/46/23/322984623.db2.gz UOOWVISMVXHUSE-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@H]1CCCO1 ZINC000560245252 384014943 /nfs/dbraw/zinc/01/49/43/384014943.db2.gz UOOWVISMVXHUSE-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@@H]1CCCO1 ZINC000560245254 384012772 /nfs/dbraw/zinc/01/27/72/384012772.db2.gz UOOWVISMVXHUSE-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CC1CCC1)C1CC1 ZINC000560245696 384014540 /nfs/dbraw/zinc/01/45/40/384014540.db2.gz VCKWDNJYRCSMRK-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC000560245698 322984694 /nfs/dbraw/zinc/98/46/94/322984694.db2.gz VCKWDNJYRCSMRK-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO CCC1CC([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000560245971 384013894 /nfs/dbraw/zinc/01/38/94/384013894.db2.gz XGJGBQBHZQDHFM-HLIUYOAVSA-N 1 0 231.383 3.877 20 0 BHADRO CCC1CC([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000560245972 384013531 /nfs/dbraw/zinc/01/35/31/384013531.db2.gz XGJGBQBHZQDHFM-VQCLRJIVSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@H]1CCC1(C)C ZINC000560246163 384012973 /nfs/dbraw/zinc/01/29/73/384012973.db2.gz NEAXQNAYFDNEDF-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CCC1(C)C ZINC000560246164 322984690 /nfs/dbraw/zinc/98/46/90/322984690.db2.gz NEAXQNAYFDNEDF-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC2(C)C)c(C)c1 ZINC000560246203 322984708 /nfs/dbraw/zinc/98/47/08/322984708.db2.gz OGPNHVQRAKIZKP-HNNXBMFYSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC2(C)C)c(C)c1 ZINC000560246204 384014573 /nfs/dbraw/zinc/01/45/73/384014573.db2.gz OGPNHVQRAKIZKP-OAHLLOKOSA-N 1 0 231.383 3.624 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCC1(C)C ZINC000560246226 384013498 /nfs/dbraw/zinc/01/34/98/384013498.db2.gz ONORLMBVSHTHJO-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000560246227 384013023 /nfs/dbraw/zinc/01/30/23/384013023.db2.gz ONORLMBVSHTHJO-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H](C)c1ccccc1 ZINC000560246317 384013032 /nfs/dbraw/zinc/01/30/32/384013032.db2.gz NTRLRDRAWJTRAR-IPYPFGDCSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000560246318 384015032 /nfs/dbraw/zinc/01/50/32/384015032.db2.gz NTRLRDRAWJTRAR-KCQAQPDRSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H](C)c1ccccc1 ZINC000560246320 384014463 /nfs/dbraw/zinc/01/44/63/384014463.db2.gz NTRLRDRAWJTRAR-VNHYZAJKSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000560246321 384013060 /nfs/dbraw/zinc/01/30/60/384013060.db2.gz NTRLRDRAWJTRAR-YDHLFZDLSA-N 1 0 231.383 3.957 20 0 BHADRO CCC1CC([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000560246496 384014290 /nfs/dbraw/zinc/01/42/90/384014290.db2.gz QUTUQYXOZPRCGZ-UHFFFAOYSA-N 1 0 243.394 3.930 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)c1cccc(F)c1 ZINC000560246563 384013712 /nfs/dbraw/zinc/01/37/12/384013712.db2.gz STFPXQFDHTTWRQ-AWEZNQCLSA-N 1 0 249.373 3.882 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1 ZINC000560246564 322984695 /nfs/dbraw/zinc/98/46/95/322984695.db2.gz STFPXQFDHTTWRQ-CQSZACIVSA-N 1 0 249.373 3.882 20 0 BHADRO CCC1CC([NH2+][C@H](c2ncccc2C)C(C)C)C1 ZINC000560246630 322984622 /nfs/dbraw/zinc/98/46/22/322984622.db2.gz QLATXAOWYRGGHC-NRXISQOPSA-N 1 0 246.398 3.865 20 0 BHADRO CCC1CC([NH2+][C@@H](c2ncccc2C)C(C)C)C1 ZINC000560246631 384012796 /nfs/dbraw/zinc/01/27/96/384012796.db2.gz QLATXAOWYRGGHC-YMAMQOFZSA-N 1 0 246.398 3.865 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000560246632 384013973 /nfs/dbraw/zinc/01/39/73/384013973.db2.gz QSGPMSPDYDQNTO-CYBMUJFWSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(c2ccccc2F)CC1 ZINC000560246634 384015068 /nfs/dbraw/zinc/01/50/68/384015068.db2.gz QSGPMSPDYDQNTO-ZDUSSCGKSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000560246744 322984700 /nfs/dbraw/zinc/98/47/00/322984700.db2.gz SHRVDHNCILZDIT-BXUZGUMPSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000560246746 322984784 /nfs/dbraw/zinc/98/47/84/322984784.db2.gz SHRVDHNCILZDIT-FZMZJTMJSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000560246748 322984737 /nfs/dbraw/zinc/98/47/37/322984737.db2.gz SHRVDHNCILZDIT-RISCZKNCSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1 ZINC000560246750 322984837 /nfs/dbraw/zinc/98/48/37/322984837.db2.gz SHRVDHNCILZDIT-SMDDNHRTSA-N 1 0 235.346 3.707 20 0 BHADRO CCC1CC([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000560246859 322984582 /nfs/dbraw/zinc/98/45/82/322984582.db2.gz WBDQFADKNPFSEA-IMRCBTMISA-N 1 0 243.394 3.786 20 0 BHADRO CCC1CC([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000560246860 384011637 /nfs/dbraw/zinc/01/16/37/384011637.db2.gz WBDQFADKNPFSEA-QWFMPGPPSA-N 1 0 243.394 3.786 20 0 BHADRO CCC1CC([NH2+]CC2(c3ccccc3C)CC2)C1 ZINC000560247172 384010960 /nfs/dbraw/zinc/01/09/60/384010960.db2.gz ZTTPYCPYGJJJJG-UHFFFAOYSA-N 1 0 243.394 3.805 20 0 BHADRO CCC1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000560247236 384017569 /nfs/dbraw/zinc/01/75/69/384017569.db2.gz XBHOKHUFFLPRFW-NWHVRFAMSA-N 1 0 233.330 3.591 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000560247238 384016393 /nfs/dbraw/zinc/01/63/93/384016393.db2.gz XBHOKHUFFLPRFW-QKFMDRJYSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CC(C)C)C1CC1 ZINC000560247602 384018341 /nfs/dbraw/zinc/01/83/41/384018341.db2.gz WQJRLVBMLSLPGI-INIZCTEOSA-N 1 0 231.383 3.562 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CC(C)C)C1CC1 ZINC000560247603 384017865 /nfs/dbraw/zinc/01/78/65/384017865.db2.gz WQJRLVBMLSLPGI-MRXNPFEDSA-N 1 0 231.383 3.562 20 0 BHADRO CCC1CC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000560249819 384016115 /nfs/dbraw/zinc/01/61/15/384016115.db2.gz URVLFPJERNXTAZ-BBCYWQGDSA-N 1 0 233.355 3.681 20 0 BHADRO CCC1CC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000560249821 384016190 /nfs/dbraw/zinc/01/61/90/384016190.db2.gz URVLFPJERNXTAZ-DLOFLVKXSA-N 1 0 233.355 3.681 20 0 BHADRO CCC1CC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000560249825 384018326 /nfs/dbraw/zinc/01/83/26/384018326.db2.gz URVLFPJERNXTAZ-MLCFOIATSA-N 1 0 233.355 3.681 20 0 BHADRO CCC1CC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000560249826 384017986 /nfs/dbraw/zinc/01/79/86/384017986.db2.gz URVLFPJERNXTAZ-NPZBDFSRSA-N 1 0 233.355 3.681 20 0 BHADRO CC(C)C(C[N@H+](C)Cc1nccs1)C(C)C ZINC000560258264 384026920 /nfs/dbraw/zinc/02/69/20/384026920.db2.gz VIMSKJYJFBEBBC-UHFFFAOYSA-N 1 0 240.416 3.503 20 0 BHADRO CC(C)C(CN(CC(F)F)C1CC1)C(C)C ZINC000560259703 384025923 /nfs/dbraw/zinc/02/59/23/384025923.db2.gz CBLYFNZUDGWOHW-UHFFFAOYSA-N 1 0 233.346 3.644 20 0 BHADRO CCC1CC(Nc2ccc(C)cc2C[NH+](C)C)C1 ZINC000560260382 384026810 /nfs/dbraw/zinc/02/68/10/384026810.db2.gz SUMOJINDHLQUFX-UHFFFAOYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)C(C[NH+]1C2CCC1CC2)C(C)C ZINC000560261737 384026187 /nfs/dbraw/zinc/02/61/87/384026187.db2.gz DFNJHDICECPUDE-UHFFFAOYSA-N 1 0 209.377 3.541 20 0 BHADRO CC1(C[N@@H+]2CCC=C(c3ccccc3)C2)CC1 ZINC000560276176 384032020 /nfs/dbraw/zinc/03/20/20/384032020.db2.gz HFONQLBWBOYHEC-UHFFFAOYSA-N 1 0 227.351 3.576 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000560348509 384085041 /nfs/dbraw/zinc/08/50/41/384085041.db2.gz LKEBHYLPTAYEQC-GFCCVEGCSA-N 1 0 233.355 3.597 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000560348510 384083931 /nfs/dbraw/zinc/08/39/31/384083931.db2.gz LKEBHYLPTAYEQC-LBPRGKRZSA-N 1 0 233.355 3.597 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000560355113 322986202 /nfs/dbraw/zinc/98/62/02/322986202.db2.gz XQPJXAQNPGYMRF-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000560355114 322986159 /nfs/dbraw/zinc/98/61/59/322986159.db2.gz XQPJXAQNPGYMRF-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000560355115 322986214 /nfs/dbraw/zinc/98/62/14/322986214.db2.gz XQPJXAQNPGYMRF-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000560355116 322986138 /nfs/dbraw/zinc/98/61/38/322986138.db2.gz XQPJXAQNPGYMRF-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000560355681 322986154 /nfs/dbraw/zinc/98/61/54/322986154.db2.gz LLVGNURXRQSLHC-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000560355683 384091147 /nfs/dbraw/zinc/09/11/47/384091147.db2.gz LLVGNURXRQSLHC-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000560364694 384094404 /nfs/dbraw/zinc/09/44/04/384094404.db2.gz DJPIAGCYTPSSII-CYBMUJFWSA-N 1 0 221.388 3.687 20 0 BHADRO CC(C)(C)CC[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000560364695 384096110 /nfs/dbraw/zinc/09/61/10/384096110.db2.gz DJPIAGCYTPSSII-ZDUSSCGKSA-N 1 0 221.388 3.687 20 0 BHADRO Cc1cc(C)c(C[NH+]2C3CCC2CC3)cc1C ZINC000560436234 322987167 /nfs/dbraw/zinc/98/71/67/322987167.db2.gz ZMWGECLUCOXESD-UHFFFAOYSA-N 1 0 229.367 3.739 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H](C)C2CC2)s1 ZINC000560448629 384142289 /nfs/dbraw/zinc/14/22/89/384142289.db2.gz ISRNCUBJOGOGBL-JTQLQIEISA-N 1 0 223.385 3.541 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H](C)C2CC2)s1 ZINC000560448630 384142720 /nfs/dbraw/zinc/14/27/20/384142720.db2.gz ISRNCUBJOGOGBL-SNVBAGLBSA-N 1 0 223.385 3.541 20 0 BHADRO CCCOc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000560448662 384142730 /nfs/dbraw/zinc/14/27/30/384142730.db2.gz YRMNUSOIRPORMI-CYBMUJFWSA-N 1 0 247.382 3.706 20 0 BHADRO CCCOc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000560448663 384142755 /nfs/dbraw/zinc/14/27/55/384142755.db2.gz YRMNUSOIRPORMI-ZDUSSCGKSA-N 1 0 247.382 3.706 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000560464024 384147556 /nfs/dbraw/zinc/14/75/56/384147556.db2.gz FRARSYKWFUGKEV-DLBZAZTESA-N 1 0 241.378 3.632 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000560464025 384148251 /nfs/dbraw/zinc/14/82/51/384148251.db2.gz FRARSYKWFUGKEV-IAGOWNOFSA-N 1 0 241.378 3.632 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000560464026 384147993 /nfs/dbraw/zinc/14/79/93/384147993.db2.gz FRARSYKWFUGKEV-IRXDYDNUSA-N 1 0 241.378 3.632 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000560464027 322987610 /nfs/dbraw/zinc/98/76/10/322987610.db2.gz FRARSYKWFUGKEV-SJORKVTESA-N 1 0 241.378 3.632 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000560469819 384154457 /nfs/dbraw/zinc/15/44/57/384154457.db2.gz RJWQKANGPFSXLT-IPYPFGDCSA-N 1 0 245.366 3.991 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000560469821 322988024 /nfs/dbraw/zinc/98/80/24/322988024.db2.gz RJWQKANGPFSXLT-KCQAQPDRSA-N 1 0 245.366 3.991 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000560469823 322988070 /nfs/dbraw/zinc/98/80/70/322988070.db2.gz RJWQKANGPFSXLT-VNHYZAJKSA-N 1 0 245.366 3.991 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000560469824 384154548 /nfs/dbraw/zinc/15/45/48/384154548.db2.gz RJWQKANGPFSXLT-YDHLFZDLSA-N 1 0 245.366 3.991 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000560476945 384159743 /nfs/dbraw/zinc/15/97/43/384159743.db2.gz TVIYBMVBSONGKJ-DZGCQCFKSA-N 1 0 247.386 3.613 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000560476946 384159309 /nfs/dbraw/zinc/15/93/09/384159309.db2.gz TVIYBMVBSONGKJ-HIFRSBDPSA-N 1 0 247.386 3.613 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000560476947 384160159 /nfs/dbraw/zinc/16/01/59/384160159.db2.gz TVIYBMVBSONGKJ-UKRRQHHQSA-N 1 0 247.386 3.613 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000560476948 384160753 /nfs/dbraw/zinc/16/07/53/384160753.db2.gz TVIYBMVBSONGKJ-ZFWWWQNUSA-N 1 0 247.386 3.613 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000560476951 322988316 /nfs/dbraw/zinc/98/83/16/322988316.db2.gz VLWUFGYMUGGTBV-BFHYXJOUSA-N 1 0 239.428 3.749 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000560476952 384160961 /nfs/dbraw/zinc/16/09/61/384160961.db2.gz VLWUFGYMUGGTBV-HZSPNIEDSA-N 1 0 239.428 3.749 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000560476953 384160487 /nfs/dbraw/zinc/16/04/87/384160487.db2.gz VLWUFGYMUGGTBV-MELADBBJSA-N 1 0 239.428 3.749 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000560476954 322988364 /nfs/dbraw/zinc/98/83/64/322988364.db2.gz VLWUFGYMUGGTBV-MGPQQGTHSA-N 1 0 239.428 3.749 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000560482226 344739753 /nfs/dbraw/zinc/73/97/53/344739753.db2.gz OYRGVJWROLSEAN-AWEZNQCLSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000560482227 344739430 /nfs/dbraw/zinc/73/94/30/344739430.db2.gz OYRGVJWROLSEAN-CQSZACIVSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000560484181 322988421 /nfs/dbraw/zinc/98/84/21/322988421.db2.gz MEVFGBNSJZSDJY-GXTWGEPZSA-N 1 0 245.391 3.922 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000560484182 322988417 /nfs/dbraw/zinc/98/84/17/322988417.db2.gz MEVFGBNSJZSDJY-JSGCOSHPSA-N 1 0 245.391 3.922 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000560484183 384163261 /nfs/dbraw/zinc/16/32/61/384163261.db2.gz MEVFGBNSJZSDJY-OCCSQVGLSA-N 1 0 245.391 3.922 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000560484184 322988434 /nfs/dbraw/zinc/98/84/34/322988434.db2.gz MEVFGBNSJZSDJY-TZMCWYRMSA-N 1 0 245.391 3.922 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000560525271 384195972 /nfs/dbraw/zinc/19/59/72/384195972.db2.gz LCWAASDPYRJBCB-CYUUQNCZSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000560525276 322989018 /nfs/dbraw/zinc/98/90/18/322989018.db2.gz LCWAASDPYRJBCB-PMOUVXMZSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000560525277 322989016 /nfs/dbraw/zinc/98/90/16/322989016.db2.gz LCWAASDPYRJBCB-REBRKWNGSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000560525278 518191358 /nfs/dbraw/zinc/19/13/58/518191358.db2.gz LCWAASDPYRJBCB-UQOMUDLDSA-N 1 0 246.398 3.865 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2c3ccccc3O[C@@H]2C)CC1 ZINC000560533505 384205042 /nfs/dbraw/zinc/20/50/42/384205042.db2.gz LZEURZVPNIRIHK-DVOMOZLQSA-N 1 0 243.350 3.597 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2c3ccccc3O[C@H]2C)CC1 ZINC000560533506 384205018 /nfs/dbraw/zinc/20/50/18/384205018.db2.gz LZEURZVPNIRIHK-HEHGZKQESA-N 1 0 243.350 3.597 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2c3ccccc3O[C@@H]2C)CC1 ZINC000560533507 384204926 /nfs/dbraw/zinc/20/49/26/384204926.db2.gz LZEURZVPNIRIHK-WWGRRREGSA-N 1 0 243.350 3.597 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2c3ccccc3O[C@H]2C)CC1 ZINC000560533508 322989114 /nfs/dbraw/zinc/98/91/14/322989114.db2.gz LZEURZVPNIRIHK-XEZPLFJOSA-N 1 0 243.350 3.597 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000560536081 384204100 /nfs/dbraw/zinc/20/41/00/384204100.db2.gz LMEBUHSSDYZRTQ-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000560536083 384204923 /nfs/dbraw/zinc/20/49/23/384204923.db2.gz LMEBUHSSDYZRTQ-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000560536085 322989103 /nfs/dbraw/zinc/98/91/03/322989103.db2.gz LMEBUHSSDYZRTQ-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000560536087 322989111 /nfs/dbraw/zinc/98/91/11/322989111.db2.gz LMEBUHSSDYZRTQ-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CCF)cc1 ZINC000560542313 344822668 /nfs/dbraw/zinc/82/26/68/344822668.db2.gz BENHCVARTYQBRZ-CVEARBPZSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2CCF)cc1 ZINC000560542314 344822574 /nfs/dbraw/zinc/82/25/74/344822574.db2.gz BENHCVARTYQBRZ-HOTGVXAUSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CCF)cc1 ZINC000560542316 344822702 /nfs/dbraw/zinc/82/27/02/344822702.db2.gz BENHCVARTYQBRZ-HZPDHXFCSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CCF)cc1 ZINC000560542318 344822483 /nfs/dbraw/zinc/82/24/83/344822483.db2.gz BENHCVARTYQBRZ-JKSUJKDBSA-N 1 0 249.373 3.655 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1 ZINC000560543717 344819590 /nfs/dbraw/zinc/81/95/90/344819590.db2.gz LEIAWIPGFLBIOE-GFCCVEGCSA-N 1 0 246.398 3.723 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1 ZINC000560543718 344819490 /nfs/dbraw/zinc/81/94/90/344819490.db2.gz LEIAWIPGFLBIOE-LBPRGKRZSA-N 1 0 246.398 3.723 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]1C ZINC000560544060 384213859 /nfs/dbraw/zinc/21/38/59/384213859.db2.gz NPVUVWUUSNDTHR-GXTWGEPZSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@@H]1C ZINC000560544062 384215123 /nfs/dbraw/zinc/21/51/23/384215123.db2.gz NPVUVWUUSNDTHR-JSGCOSHPSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@H]1C ZINC000560544063 384213775 /nfs/dbraw/zinc/21/37/75/384213775.db2.gz NPVUVWUUSNDTHR-OCCSQVGLSA-N 1 0 235.346 3.692 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@H]1C ZINC000560544064 384214190 /nfs/dbraw/zinc/21/41/90/384214190.db2.gz NPVUVWUUSNDTHR-TZMCWYRMSA-N 1 0 235.346 3.692 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC3(CCC3)C2)s1 ZINC000560544541 384213837 /nfs/dbraw/zinc/21/38/37/384213837.db2.gz ADQRQQCHMWCAFF-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000560545166 384214111 /nfs/dbraw/zinc/21/41/11/384214111.db2.gz VAFHJSLQEMAVNU-CVEARBPZSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000560545167 322989308 /nfs/dbraw/zinc/98/93/08/322989308.db2.gz VAFHJSLQEMAVNU-HOTGVXAUSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000560545169 322989205 /nfs/dbraw/zinc/98/92/05/322989205.db2.gz VAFHJSLQEMAVNU-HZPDHXFCSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000560545172 384214679 /nfs/dbraw/zinc/21/46/79/384214679.db2.gz VAFHJSLQEMAVNU-JKSUJKDBSA-N 1 0 247.382 3.528 20 0 BHADRO 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239.403 3.504 20 0 BHADRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)cc1 ZINC000560556651 384224984 /nfs/dbraw/zinc/22/49/84/384224984.db2.gz ROEWVSOLZAWALP-HNNXBMFYSA-N 1 0 247.382 3.562 20 0 BHADRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)cc1 ZINC000560556652 384223840 /nfs/dbraw/zinc/22/38/40/384223840.db2.gz ROEWVSOLZAWALP-OAHLLOKOSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)[C@H]1[N@H+](Cc2cccs2)CC1(C)C ZINC000560557074 384223249 /nfs/dbraw/zinc/22/32/49/384223249.db2.gz VHKSPRUJSKHEEA-GFCCVEGCSA-N 1 0 223.385 3.615 20 0 BHADRO CC(C)[C@@H]1[N@H+](Cc2cccs2)CC1(C)C ZINC000560557076 384222985 /nfs/dbraw/zinc/22/29/85/384222985.db2.gz VHKSPRUJSKHEEA-LBPRGKRZSA-N 1 0 223.385 3.615 20 0 BHADRO Cc1ccncc1CCC[NH2+]C(C)(C)C(C)(C)C ZINC000560557158 384223510 /nfs/dbraw/zinc/22/35/10/384223510.db2.gz RZABGGODLKHKOF-UHFFFAOYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1cc([C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CC2)ccc1F ZINC000560558876 384224939 /nfs/dbraw/zinc/22/49/39/384224939.db2.gz WNUDKDWRWSMCAB-AMKSKSKJSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H]([NH2+][C@H]2CC[C@@H]2C)C2CC2)ccc1F ZINC000560558877 384224177 /nfs/dbraw/zinc/22/41/77/384224177.db2.gz WNUDKDWRWSMCAB-CIISACIHSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H]([NH2+][C@H]2CC[C@H]2C)C2CC2)ccc1F ZINC000560558878 384224967 /nfs/dbraw/zinc/22/49/67/384224967.db2.gz WNUDKDWRWSMCAB-HPEXNQPKSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H]([NH2+][C@@H]2CC[C@H]2C)C2CC2)ccc1F ZINC000560558879 384224914 /nfs/dbraw/zinc/22/49/14/384224914.db2.gz WNUDKDWRWSMCAB-UHNFBRDESA-N 1 0 247.357 3.973 20 0 BHADRO CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CCC1 ZINC000560559656 384224783 /nfs/dbraw/zinc/22/47/83/384224783.db2.gz QPBVSUDBXHSSJV-GDBMZVCRSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1CCC1 ZINC000560559657 384223947 /nfs/dbraw/zinc/22/39/47/384223947.db2.gz QPBVSUDBXHSSJV-GOEBONIOSA-N 1 0 229.367 3.665 20 0 BHADRO CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C1CCC1 ZINC000560559658 384223955 /nfs/dbraw/zinc/22/39/55/384223955.db2.gz QPBVSUDBXHSSJV-ZBFHGGJFSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)o1 ZINC000560560640 322989339 /nfs/dbraw/zinc/98/93/39/322989339.db2.gz SNKKKOVHUHJNAY-BHPKHCPMSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000560560641 384221139 /nfs/dbraw/zinc/22/11/39/384221139.db2.gz SNKKKOVHUHJNAY-CXTNEJHOSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000560560642 384220494 /nfs/dbraw/zinc/22/04/94/384220494.db2.gz SNKKKOVHUHJNAY-GUIRCDHDSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)o1 ZINC000560560643 322989381 /nfs/dbraw/zinc/98/93/81/322989381.db2.gz SNKKKOVHUHJNAY-OSFYFWSMSA-N 1 0 245.366 3.635 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000560570545 384231186 /nfs/dbraw/zinc/23/11/86/384231186.db2.gz RSUFQVUKHNBZFC-BMFZPTHFSA-N 1 0 241.378 3.870 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000560570546 384230144 /nfs/dbraw/zinc/23/01/44/384230144.db2.gz RSUFQVUKHNBZFC-FVQBIDKESA-N 1 0 241.378 3.870 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000560570547 384231076 /nfs/dbraw/zinc/23/10/76/384231076.db2.gz RSUFQVUKHNBZFC-KBMXLJTQSA-N 1 0 241.378 3.870 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000560570548 384230688 /nfs/dbraw/zinc/23/06/88/384230688.db2.gz RSUFQVUKHNBZFC-VNQPRFMTSA-N 1 0 241.378 3.870 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000560570733 384230309 /nfs/dbraw/zinc/23/03/09/384230309.db2.gz GBZMHPGKRYMPHD-FOCJUVANSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000560570736 322989745 /nfs/dbraw/zinc/98/97/45/322989745.db2.gz GBZMHPGKRYMPHD-NFFDBFGFSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000560570737 322989799 /nfs/dbraw/zinc/98/97/99/322989799.db2.gz GBZMHPGKRYMPHD-RSUWNVLCSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000560570740 322989743 /nfs/dbraw/zinc/98/97/43/322989743.db2.gz GBZMHPGKRYMPHD-ZWUHOBOKSA-N 1 0 247.382 3.575 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H]1C ZINC000560571378 322989775 /nfs/dbraw/zinc/98/97/75/322989775.db2.gz JXMSSLZHGFCKDK-KCXAZCMYSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000560571394 322989736 /nfs/dbraw/zinc/98/97/36/322989736.db2.gz JXMSSLZHGFCKDK-MAZHCROVSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000560571396 384229991 /nfs/dbraw/zinc/22/99/91/384229991.db2.gz JXMSSLZHGFCKDK-RCBQFDQVSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000560571398 322989776 /nfs/dbraw/zinc/98/97/76/322989776.db2.gz JXMSSLZHGFCKDK-WQVCFCJDSA-N 1 0 249.373 3.781 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCCc1cccc(C)n1 ZINC000560572636 322989748 /nfs/dbraw/zinc/98/97/48/322989748.db2.gz BNCHBRFGHZGNHX-HNNXBMFYSA-N 1 0 248.414 3.881 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCCc1cccc(C)n1 ZINC000560572638 322989808 /nfs/dbraw/zinc/98/98/08/322989808.db2.gz BNCHBRFGHZGNHX-OAHLLOKOSA-N 1 0 248.414 3.881 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)C1CC1 ZINC000560573549 322989803 /nfs/dbraw/zinc/98/98/03/322989803.db2.gz GQVZLEJCMQBMFI-HNNXBMFYSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)C1CC1 ZINC000560573556 384233414 /nfs/dbraw/zinc/23/34/14/384233414.db2.gz GQVZLEJCMQBMFI-OAHLLOKOSA-N 1 0 242.366 3.755 20 0 BHADRO COc1cccc(C2([NH2+][C@H](C)CC(C)C)CC2)c1 ZINC000560573601 384232945 /nfs/dbraw/zinc/23/29/45/384232945.db2.gz LBZLOMZZFRNGCG-CYBMUJFWSA-N 1 0 247.382 3.709 20 0 BHADRO COc1cccc(C2([NH2+][C@@H](C)CC(C)C)CC2)c1 ZINC000560573603 384234134 /nfs/dbraw/zinc/23/41/34/384234134.db2.gz LBZLOMZZFRNGCG-ZDUSSCGKSA-N 1 0 247.382 3.709 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000560575240 384233807 /nfs/dbraw/zinc/23/38/07/384233807.db2.gz SQHSYMIPZQVWFP-DYEKYZERSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000560575242 384233954 /nfs/dbraw/zinc/23/39/54/384233954.db2.gz SQHSYMIPZQVWFP-MBNYWOFBSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000560575243 384234127 /nfs/dbraw/zinc/23/41/27/384234127.db2.gz SQHSYMIPZQVWFP-OBJOEFQTSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000560575245 384233923 /nfs/dbraw/zinc/23/39/23/384233923.db2.gz SQHSYMIPZQVWFP-SGMGOOAPSA-N 1 0 249.423 3.728 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@H](C)C2 ZINC000560575265 384233532 /nfs/dbraw/zinc/23/35/32/384233532.db2.gz SZQUANOBMLOFRO-CZPYZCIJSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H](C)C2 ZINC000560575266 384233712 /nfs/dbraw/zinc/23/37/12/384233712.db2.gz SZQUANOBMLOFRO-NOXHYTERSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C)[C@H](C)C2 ZINC000560575267 384233792 /nfs/dbraw/zinc/23/37/92/384233792.db2.gz SZQUANOBMLOFRO-UAXWRAGISA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C)[C@@H](C)C2 ZINC000560575269 384233744 /nfs/dbraw/zinc/23/37/44/384233744.db2.gz SZQUANOBMLOFRO-YXAMBPQSSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@H]2C)C2CC2)cc1 ZINC000560575709 384236637 /nfs/dbraw/zinc/23/66/37/384236637.db2.gz ZVTMTFVMRUBLSP-COXVUDFISA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000560575710 384236815 /nfs/dbraw/zinc/23/68/15/384236815.db2.gz ZVTMTFVMRUBLSP-JQFCIGGWSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CC2)cc1 ZINC000560575711 384235024 /nfs/dbraw/zinc/23/50/24/384235024.db2.gz ZVTMTFVMRUBLSP-XKQJLSEDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]2C)C2CC2)cc1 ZINC000560575712 384236238 /nfs/dbraw/zinc/23/62/38/384236238.db2.gz ZVTMTFVMRUBLSP-XYPHTWIQSA-N 1 0 243.394 3.704 20 0 BHADRO CSCc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000560583179 384239370 /nfs/dbraw/zinc/23/93/70/384239370.db2.gz SMGVOTSYGWXPIR-AWEZNQCLSA-N 1 0 249.423 3.828 20 0 BHADRO CSCc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000560583180 322989925 /nfs/dbraw/zinc/98/99/25/322989925.db2.gz SMGVOTSYGWXPIR-CQSZACIVSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000560583189 322989932 /nfs/dbraw/zinc/98/99/32/322989932.db2.gz SWGKOLSJJJYTML-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000560583190 322989931 /nfs/dbraw/zinc/98/99/31/322989931.db2.gz SWGKOLSJJJYTML-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000560583191 384239363 /nfs/dbraw/zinc/23/93/63/384239363.db2.gz SWGKOLSJJJYTML-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000560583192 322989984 /nfs/dbraw/zinc/98/99/84/322989984.db2.gz SWGKOLSJJJYTML-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H](C)C1 ZINC000560583242 322989937 /nfs/dbraw/zinc/98/99/37/322989937.db2.gz VQBFMDSSKMQOSJ-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H](C)C1 ZINC000560583243 322989907 /nfs/dbraw/zinc/98/99/07/322989907.db2.gz VQBFMDSSKMQOSJ-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000560583244 384239493 /nfs/dbraw/zinc/23/94/93/384239493.db2.gz VQBFMDSSKMQOSJ-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000560583245 322989908 /nfs/dbraw/zinc/98/99/08/322989908.db2.gz VQBFMDSSKMQOSJ-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(CSC)cc2)C1 ZINC000560585001 322989938 /nfs/dbraw/zinc/98/99/38/322989938.db2.gz PDXMMRHUFZFFOT-UHFFFAOYSA-N 1 0 249.423 3.828 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H](C)c1ccccc1 ZINC000560586215 322989994 /nfs/dbraw/zinc/98/99/94/322989994.db2.gz XGWOXMPGPVEVAA-BHPKHCPMSA-N 1 0 249.423 3.520 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H](C)c1ccccc1 ZINC000560586216 322989935 /nfs/dbraw/zinc/98/99/35/322989935.db2.gz XGWOXMPGPVEVAA-COMQUAJESA-N 1 0 249.423 3.520 20 0 BHADRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H](C)c1ccccc1 ZINC000560586217 322989985 /nfs/dbraw/zinc/98/99/85/322989985.db2.gz XGWOXMPGPVEVAA-CXTNEJHOSA-N 1 0 249.423 3.520 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000560586218 322989990 /nfs/dbraw/zinc/98/99/90/322989990.db2.gz XGWOXMPGPVEVAA-OSFYFWSMSA-N 1 0 249.423 3.520 20 0 BHADRO Cc1cccc(C[N@H+](C)CCOC(C)(C)C)c1C ZINC000560587620 384240973 /nfs/dbraw/zinc/24/09/73/384240973.db2.gz ZCIXHQTZOSXSMI-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CCSCCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000560595373 384247937 /nfs/dbraw/zinc/24/79/37/384247937.db2.gz UIICLMJEYKOWJO-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)(C)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000560596014 384248230 /nfs/dbraw/zinc/24/82/30/384248230.db2.gz PDCPBSGQUMWPIY-UHFFFAOYSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)C1([NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000560597417 384251523 /nfs/dbraw/zinc/25/15/23/384251523.db2.gz DVOHWAIIEDEWKI-GFCCVEGCSA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)C1([NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000560597418 384250054 /nfs/dbraw/zinc/25/00/54/384250054.db2.gz DVOHWAIIEDEWKI-LBPRGKRZSA-N 1 0 235.346 3.707 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000560606921 490450957 /nfs/dbraw/zinc/45/09/57/490450957.db2.gz ZFUJUNPMUCLONT-BBWFWOEESA-N 1 0 241.378 3.879 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000560606922 490450945 /nfs/dbraw/zinc/45/09/45/490450945.db2.gz ZFUJUNPMUCLONT-ULQDDVLXSA-N 1 0 241.378 3.879 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cc[nH]n1 ZINC000560611731 384254753 /nfs/dbraw/zinc/25/47/53/384254753.db2.gz QDILRUKKPIVNIU-CYBMUJFWSA-N 1 0 237.391 3.591 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cc[nH]n1 ZINC000560611732 384252811 /nfs/dbraw/zinc/25/28/11/384252811.db2.gz QDILRUKKPIVNIU-ZDUSSCGKSA-N 1 0 237.391 3.591 20 0 BHADRO CC1(C)C[N@H+](Cc2ccsc2)[C@@H]2CCC[C@H]21 ZINC000560620904 384261451 /nfs/dbraw/zinc/26/14/51/384261451.db2.gz NJWDVHGFPASTGH-CHWSQXEVSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2ccsc2)[C@H]2CCC[C@H]21 ZINC000560620905 384261837 /nfs/dbraw/zinc/26/18/37/384261837.db2.gz NJWDVHGFPASTGH-OLZOCXBDSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000560620907 384260087 /nfs/dbraw/zinc/26/00/87/384260087.db2.gz NJWDVHGFPASTGH-QWHCGFSZSA-N 1 0 235.396 3.759 20 0 BHADRO CC1(C)C[N@H+](Cc2ccsc2)[C@H]2CCC[C@@H]21 ZINC000560620909 384262131 /nfs/dbraw/zinc/26/21/31/384262131.db2.gz NJWDVHGFPASTGH-STQMWFEESA-N 1 0 235.396 3.759 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000560627152 384270437 /nfs/dbraw/zinc/27/04/37/384270437.db2.gz AVBUFXFENRYFMG-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO C[N@@H+](C/C=C\c1ccc(F)cc1)CCC1CC1 ZINC000560668621 384296370 /nfs/dbraw/zinc/29/63/70/384296370.db2.gz RFGXSGGUHCBMBZ-IHWYPQMZSA-N 1 0 233.330 3.571 20 0 BHADRO C[N@@H+](C/C=C/c1ccc(F)cc1)CCC1CC1 ZINC000560668622 384294774 /nfs/dbraw/zinc/29/47/74/384294774.db2.gz RFGXSGGUHCBMBZ-NSCUHMNNSA-N 1 0 233.330 3.571 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](CC2CC2)C(C)C)c1 ZINC000560670358 384292126 /nfs/dbraw/zinc/29/21/26/384292126.db2.gz OQMNKSGFSQCMFB-UHFFFAOYSA-N 1 0 231.383 3.924 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CCc1ccccc1 ZINC000560700519 384309031 /nfs/dbraw/zinc/30/90/31/384309031.db2.gz QUJBDVRMCUNVFY-AWEZNQCLSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CCc1ccccc1 ZINC000560700520 384308035 /nfs/dbraw/zinc/30/80/35/384308035.db2.gz QUJBDVRMCUNVFY-CQSZACIVSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@H](C)c1ccccc1 ZINC000560701228 384309391 /nfs/dbraw/zinc/30/93/91/384309391.db2.gz BJGIMHZYZNAKFC-CYBMUJFWSA-N 1 0 217.356 3.868 20 0 BHADRO CC(C)[N@H+](CC1CC1)[C@@H](C)c1ccccc1 ZINC000560701232 384309240 /nfs/dbraw/zinc/30/92/40/384309240.db2.gz BJGIMHZYZNAKFC-ZDUSSCGKSA-N 1 0 217.356 3.868 20 0 BHADRO Clc1ccc(C2=CC[N@@H+](C3CCC3)CC2)cc1 ZINC000560706596 384312120 /nfs/dbraw/zinc/31/21/20/384312120.db2.gz IDCZVNCMFRFAPA-UHFFFAOYSA-N 1 0 247.769 3.982 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000560707837 384313757 /nfs/dbraw/zinc/31/37/57/384313757.db2.gz ZIIHLIMFYLZZCL-LLVKDONJSA-N 1 0 223.385 3.541 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000560707838 384313512 /nfs/dbraw/zinc/31/35/12/384313512.db2.gz ZIIHLIMFYLZZCL-NSHDSACASA-N 1 0 223.385 3.541 20 0 BHADRO CC(C)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000560729827 344874421 /nfs/dbraw/zinc/87/44/21/344874421.db2.gz QDPLGRQRGGEQTK-UHFFFAOYSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000560729835 344874525 /nfs/dbraw/zinc/87/45/25/344874525.db2.gz QQFQIVDETOUDST-LLVKDONJSA-N 1 0 223.385 3.541 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000560729836 344874293 /nfs/dbraw/zinc/87/42/93/344874293.db2.gz QQFQIVDETOUDST-NSHDSACASA-N 1 0 223.385 3.541 20 0 BHADRO Fc1ccccc1CC1CC[NH+](C2CCC2)CC1 ZINC000560729843 344874466 /nfs/dbraw/zinc/87/44/66/344874466.db2.gz RDTPPSULKHSQAL-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000560829988 384378014 /nfs/dbraw/zinc/37/80/14/384378014.db2.gz NOYKTPVYKSXYPY-GFCCVEGCSA-N 1 0 237.774 3.962 20 0 BHADRO CCCCC[N@H+](C)Cc1sccc1C ZINC000560832730 384376139 /nfs/dbraw/zinc/37/61/39/384376139.db2.gz ITVAAWFCMAGIBA-UHFFFAOYSA-N 1 0 211.374 3.679 20 0 BHADRO CCCc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000560856322 384387504 /nfs/dbraw/zinc/38/75/04/384387504.db2.gz FDVCFRRJBXLNJP-CYBMUJFWSA-N 1 0 231.383 3.869 20 0 BHADRO CCCc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000560856323 384386479 /nfs/dbraw/zinc/38/64/79/384386479.db2.gz FDVCFRRJBXLNJP-ZDUSSCGKSA-N 1 0 231.383 3.869 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000560857283 384386705 /nfs/dbraw/zinc/38/67/05/384386705.db2.gz JHXUITLAANXHNY-JTQLQIEISA-N 1 0 246.379 3.527 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000560857284 384387639 /nfs/dbraw/zinc/38/76/39/384387639.db2.gz JHXUITLAANXHNY-SNVBAGLBSA-N 1 0 246.379 3.527 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@H]1C[C@H]1C ZINC000560880265 322993108 /nfs/dbraw/zinc/99/31/08/322993108.db2.gz CPNFPFHLPKDYQC-AFCCXKIYSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@H]1C[C@@H]1C ZINC000560880266 398337539 /nfs/dbraw/zinc/33/75/39/398337539.db2.gz CPNFPFHLPKDYQC-AXMVNOCNSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@@H]1C ZINC000560880267 384394376 /nfs/dbraw/zinc/39/43/76/384394376.db2.gz CPNFPFHLPKDYQC-LZFBMIIGSA-N 1 0 233.355 3.537 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@H]1C ZINC000560880268 384395052 /nfs/dbraw/zinc/39/50/52/384395052.db2.gz CPNFPFHLPKDYQC-XMKDAVRRSA-N 1 0 233.355 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)[C@@H]1C[C@H]1C ZINC000560880356 398337514 /nfs/dbraw/zinc/33/75/14/398337514.db2.gz BOGMEQRXOKWFAJ-GBOPCIDUSA-N 1 0 249.402 3.549 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)[C@@H]1C[C@@H]1C ZINC000560880359 322993132 /nfs/dbraw/zinc/99/31/32/322993132.db2.gz BOGMEQRXOKWFAJ-MXYBEHONSA-N 1 0 249.402 3.549 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)[C@H]1C[C@@H]1C ZINC000560880361 322993118 /nfs/dbraw/zinc/99/31/18/322993118.db2.gz BOGMEQRXOKWFAJ-NEBZKDRISA-N 1 0 249.402 3.549 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)[C@H]1C[C@H]1C ZINC000560880362 398337515 /nfs/dbraw/zinc/33/75/15/398337515.db2.gz BOGMEQRXOKWFAJ-UXOAXIEHSA-N 1 0 249.402 3.549 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000560884561 322993120 /nfs/dbraw/zinc/99/31/20/322993120.db2.gz RQCCPXFMBUMRAY-CYBMUJFWSA-N 1 0 248.414 3.774 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000560884563 398337512 /nfs/dbraw/zinc/33/75/12/398337512.db2.gz RQCCPXFMBUMRAY-ZDUSSCGKSA-N 1 0 248.414 3.774 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2c1cccc2C ZINC000560885676 384396513 /nfs/dbraw/zinc/39/65/13/384396513.db2.gz ZWAIUGFHLYQBPN-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000560885686 322993124 /nfs/dbraw/zinc/99/31/24/322993124.db2.gz ZWAIUGFHLYQBPN-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO CC[C@H]([NH2+]CCC1Cc2ccccc2C1)C1CC1 ZINC000560906266 384402929 /nfs/dbraw/zinc/40/29/29/384402929.db2.gz IQMZZHBMKPYRKM-KRWDZBQOSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]([NH2+]CCC1Cc2ccccc2C1)C1CC1 ZINC000560906267 322993386 /nfs/dbraw/zinc/99/33/86/322993386.db2.gz IQMZZHBMKPYRKM-QGZVFWFLSA-N 1 0 243.394 3.570 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CCC2)cc1 ZINC000560906511 322993220 /nfs/dbraw/zinc/99/32/20/322993220.db2.gz HDWQCYJVDPLISO-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2CCC2)cc1 ZINC000560906513 384399901 /nfs/dbraw/zinc/39/99/01/384399901.db2.gz HDWQCYJVDPLISO-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CCC2)cc1 ZINC000560906514 322993229 /nfs/dbraw/zinc/99/32/29/322993229.db2.gz HDWQCYJVDPLISO-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2CCC2)cc1 ZINC000560906516 322993178 /nfs/dbraw/zinc/99/31/78/322993178.db2.gz HDWQCYJVDPLISO-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)C1(C)CC1 ZINC000560907291 322993165 /nfs/dbraw/zinc/99/31/65/322993165.db2.gz NSUOENUQGLSIDX-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]CCC1Cc2ccccc2C1)C1(C)CC1 ZINC000560907292 322993213 /nfs/dbraw/zinc/99/32/13/322993213.db2.gz NSUOENUQGLSIDX-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000560907503 384401563 /nfs/dbraw/zinc/40/15/63/384401563.db2.gz AJDMGPBBBGHTRU-FQUUOJAGSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000560907504 384400643 /nfs/dbraw/zinc/40/06/43/384400643.db2.gz AJDMGPBBBGHTRU-IGQOVBAYSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000560907505 384401557 /nfs/dbraw/zinc/40/15/57/384401557.db2.gz AJDMGPBBBGHTRU-XDQVBPFNSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000560907506 384400483 /nfs/dbraw/zinc/40/04/83/384400483.db2.gz AJDMGPBBBGHTRU-XUXIUFHCSA-N 1 0 241.419 3.604 20 0 BHADRO c1cncc([C@@H]([NH2+]C2CCCCCC2)C2CC2)c1 ZINC000560907864 384401738 /nfs/dbraw/zinc/40/17/38/384401738.db2.gz GOGREMDQUYXBOG-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1cncc([C@H]([NH2+]C2CCCCCC2)C2CC2)c1 ZINC000560907866 384401338 /nfs/dbraw/zinc/40/13/38/384401338.db2.gz GOGREMDQUYXBOG-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CCC1 ZINC000560917920 322993398 /nfs/dbraw/zinc/99/33/98/322993398.db2.gz HPQKNQRTXCCZGI-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CCC1 ZINC000560917921 384406921 /nfs/dbraw/zinc/40/69/21/384406921.db2.gz HPQKNQRTXCCZGI-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2sccc2Cl)C1 ZINC000560984405 384434726 /nfs/dbraw/zinc/43/47/26/384434726.db2.gz JQHRRFVEUPSXRW-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1sccc1Cl ZINC000560984407 384435157 /nfs/dbraw/zinc/43/51/57/384435157.db2.gz JQHRRFVEUPSXRW-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2sccc2Cl)C1 ZINC000560984408 384436247 /nfs/dbraw/zinc/43/62/47/384436247.db2.gz JQHRRFVEUPSXRW-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2sccc2Cl)C1 ZINC000560984409 384436007 /nfs/dbraw/zinc/43/60/07/384436007.db2.gz JQHRRFVEUPSXRW-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C1CC1 ZINC000561016952 384448678 /nfs/dbraw/zinc/44/86/78/384448678.db2.gz RZWGWZGVZAOBLU-DUVNUKRYSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[C@H]1C)C1CC1 ZINC000561016960 384447831 /nfs/dbraw/zinc/44/78/31/384447831.db2.gz RZWGWZGVZAOBLU-IVMMDQJWSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C[C@H]1C[C@@H]1C)C1CC1 ZINC000561016962 322994161 /nfs/dbraw/zinc/99/41/61/322994161.db2.gz RZWGWZGVZAOBLU-JGGQBBKZSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C[C@H]1C[C@H]1C)C1CC1 ZINC000561016963 322994111 /nfs/dbraw/zinc/99/41/11/322994111.db2.gz RZWGWZGVZAOBLU-XNRPHZJLSA-N 1 0 229.367 3.692 20 0 BHADRO Cc1cc([C@@H]([NH2+]CC2(C)CC2)C2CC2)ccc1F ZINC000561017503 322994180 /nfs/dbraw/zinc/99/41/80/322994180.db2.gz URFIHQWREJRSQC-HNNXBMFYSA-N 1 0 247.357 3.975 20 0 BHADRO Cc1cc([C@H]([NH2+]CC2(C)CC2)C2CC2)ccc1F ZINC000561017504 322994176 /nfs/dbraw/zinc/99/41/76/322994176.db2.gz URFIHQWREJRSQC-OAHLLOKOSA-N 1 0 247.357 3.975 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@H]1C ZINC000561058267 384469149 /nfs/dbraw/zinc/46/91/49/384469149.db2.gz QMPFJWLQHBKWDR-BBBLOLIVSA-N 1 0 241.737 3.880 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@@H]1C ZINC000561058268 384468147 /nfs/dbraw/zinc/46/81/47/384468147.db2.gz QMPFJWLQHBKWDR-KXUCPTDWSA-N 1 0 241.737 3.880 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@H]1C ZINC000561058269 384468522 /nfs/dbraw/zinc/46/85/22/384468522.db2.gz QMPFJWLQHBKWDR-OPRDCNLKSA-N 1 0 241.737 3.880 20 0 BHADRO C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@@H]1C ZINC000561058270 384469033 /nfs/dbraw/zinc/46/90/33/384469033.db2.gz QMPFJWLQHBKWDR-UTLUCORTSA-N 1 0 241.737 3.880 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H](C)CC(C)C)c1 ZINC000561059740 384469420 /nfs/dbraw/zinc/46/94/20/384469420.db2.gz AYYRNNDLJIRXSI-AWEZNQCLSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H](C)CC(C)C)c1 ZINC000561059757 384469724 /nfs/dbraw/zinc/46/97/24/384469724.db2.gz AYYRNNDLJIRXSI-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000561062113 384471827 /nfs/dbraw/zinc/47/18/27/384471827.db2.gz BLCFFZQCAUOAFJ-AWEZNQCLSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccccc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000561062115 384471846 /nfs/dbraw/zinc/47/18/46/384471846.db2.gz BLCFFZQCAUOAFJ-CQSZACIVSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1 ZINC000561063865 344954019 /nfs/dbraw/zinc/95/40/19/344954019.db2.gz PMBSSTYQDFCIGT-UHFFFAOYSA-N 1 0 219.372 3.861 20 0 BHADRO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)CC(C)C ZINC000561075923 384478987 /nfs/dbraw/zinc/47/89/87/384478987.db2.gz LXFTWEAARGKZGS-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccccc1OCC[N@@H+](C)[C@H](C)CC(C)C ZINC000561075927 384479033 /nfs/dbraw/zinc/47/90/33/384479033.db2.gz LXFTWEAARGKZGS-OAHLLOKOSA-N 1 0 249.398 3.740 20 0 BHADRO CC(C)([NH2+]CC1CCC1)c1ccc(F)c(F)c1 ZINC000561177750 384544309 /nfs/dbraw/zinc/54/43/09/384544309.db2.gz GQZDUNXSMRUFCF-UHFFFAOYSA-N 1 0 239.309 3.590 20 0 BHADRO CCC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000561198926 488073227 /nfs/dbraw/zinc/07/32/27/488073227.db2.gz BAVXXCQWAJHDBI-UHFFFAOYSA-N 1 0 239.309 3.734 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)s1 ZINC000561273192 384614556 /nfs/dbraw/zinc/61/45/56/384614556.db2.gz WAAOBMKTWJKOHK-CYBMUJFWSA-N 1 0 223.385 3.541 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H]2C(C)C)s1 ZINC000561273195 384615925 /nfs/dbraw/zinc/61/59/25/384615925.db2.gz WAAOBMKTWJKOHK-ZDUSSCGKSA-N 1 0 223.385 3.541 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@H](C)C(C)C)cc2c1 ZINC000561296597 322999037 /nfs/dbraw/zinc/99/90/37/322999037.db2.gz PGFSWZYUMQYBHS-GFCCVEGCSA-N 1 0 231.339 3.875 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@@H](C)C(C)C)cc2c1 ZINC000561296598 384632775 /nfs/dbraw/zinc/63/27/75/384632775.db2.gz PGFSWZYUMQYBHS-LBPRGKRZSA-N 1 0 231.339 3.875 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000561298078 345039111 /nfs/dbraw/zinc/03/91/11/345039111.db2.gz YOSPVBIRIMHOPM-BYCMXARLSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000561298079 345039924 /nfs/dbraw/zinc/03/99/24/345039924.db2.gz YOSPVBIRIMHOPM-DFBGVHRSSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000561298080 345039564 /nfs/dbraw/zinc/03/95/64/345039564.db2.gz YOSPVBIRIMHOPM-KCPJHIHWSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000561298081 345039638 /nfs/dbraw/zinc/03/96/38/345039638.db2.gz YOSPVBIRIMHOPM-UGFHNGPFSA-N 1 0 229.367 3.698 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(CC(C)C)CC2)CC1 ZINC000561310430 384642357 /nfs/dbraw/zinc/64/23/57/384642357.db2.gz PEVBSFABNRLTDK-AWEZNQCLSA-N 1 0 221.388 3.901 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(CC(C)C)CC2)CC1 ZINC000561310433 384640773 /nfs/dbraw/zinc/64/07/73/384640773.db2.gz PEVBSFABNRLTDK-CQSZACIVSA-N 1 0 221.388 3.901 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000561310637 322999233 /nfs/dbraw/zinc/99/92/33/322999233.db2.gz KKHALQWJVJSLIO-KGLIPLIRSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1cccnc1 ZINC000561310638 322999186 /nfs/dbraw/zinc/99/91/86/322999186.db2.gz KKHALQWJVJSLIO-ZIAGYGMSSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000561319818 384654695 /nfs/dbraw/zinc/65/46/95/384654695.db2.gz IHNSYIYNHNYBOV-JTQLQIEISA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000561319820 322999728 /nfs/dbraw/zinc/99/97/28/322999728.db2.gz IHNSYIYNHNYBOV-SNVBAGLBSA-N 1 0 237.309 3.695 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000561347418 323000173 /nfs/dbraw/zinc/00/01/73/323000173.db2.gz HGCUIUJFEUSNCA-DRZSPHRISA-N 1 0 239.309 3.608 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000561347424 323000175 /nfs/dbraw/zinc/00/01/75/323000175.db2.gz HGCUIUJFEUSNCA-WXHSDQCUSA-N 1 0 239.309 3.608 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000561349247 323000127 /nfs/dbraw/zinc/00/01/27/323000127.db2.gz UFGVYCCEGJORDN-AWEZNQCLSA-N 1 0 249.373 3.880 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000561349255 323000145 /nfs/dbraw/zinc/00/01/45/323000145.db2.gz UFGVYCCEGJORDN-CQSZACIVSA-N 1 0 249.373 3.880 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H](C)c2ccccc2)o1 ZINC000561370015 323000510 /nfs/dbraw/zinc/00/05/10/323000510.db2.gz MNTSZWRRDPGGGT-CYBMUJFWSA-N 1 0 243.350 3.524 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H](C)c2ccccc2)o1 ZINC000561370019 323000522 /nfs/dbraw/zinc/00/05/22/323000522.db2.gz MNTSZWRRDPGGGT-ZDUSSCGKSA-N 1 0 243.350 3.524 20 0 BHADRO CCC[C@@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000561377792 323000630 /nfs/dbraw/zinc/00/06/30/323000630.db2.gz ADLRAMSSMYNNSV-HNNXBMFYSA-N 1 0 231.383 3.930 20 0 BHADRO CCC[C@H](CCc1ccccc1)[NH2+]C1CCC1 ZINC000561377793 323000713 /nfs/dbraw/zinc/00/07/13/323000713.db2.gz ADLRAMSSMYNNSV-OAHLLOKOSA-N 1 0 231.383 3.930 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000561380209 323000755 /nfs/dbraw/zinc/00/07/55/323000755.db2.gz YUDSAMOWILCNSF-AHDPXTMNSA-N 1 0 241.419 3.747 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000561380217 323000822 /nfs/dbraw/zinc/00/08/22/323000822.db2.gz YUDSAMOWILCNSF-DGAVXFQQSA-N 1 0 241.419 3.747 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000561380218 323000853 /nfs/dbraw/zinc/00/08/53/323000853.db2.gz YUDSAMOWILCNSF-RMEBNNNOSA-N 1 0 241.419 3.747 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000561380219 323000846 /nfs/dbraw/zinc/00/08/46/323000846.db2.gz YUDSAMOWILCNSF-XUXIUFHCSA-N 1 0 241.419 3.747 20 0 BHADRO CCCOC1(C[NH2+]C2CCCC2)CCCCC1 ZINC000561395271 323000918 /nfs/dbraw/zinc/00/09/18/323000918.db2.gz LCIBSYKGNWUOFS-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CC1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000561438147 323001691 /nfs/dbraw/zinc/00/16/91/323001691.db2.gz PQHSXHQRKCRRNH-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000561438249 323001618 /nfs/dbraw/zinc/00/16/18/323001618.db2.gz SEMLOGSMSDVJLO-HZSPNIEDSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000561438250 323001601 /nfs/dbraw/zinc/00/16/01/323001601.db2.gz SEMLOGSMSDVJLO-IHRRRGAJSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000561438251 323001685 /nfs/dbraw/zinc/00/16/85/323001685.db2.gz SEMLOGSMSDVJLO-MELADBBJSA-N 1 0 247.382 3.780 20 0 BHADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000561438252 323001589 /nfs/dbraw/zinc/00/15/89/323001589.db2.gz SEMLOGSMSDVJLO-RDBSUJKOSA-N 1 0 247.382 3.780 20 0 BHADRO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCCCCC1 ZINC000561468676 323002487 /nfs/dbraw/zinc/00/24/87/323002487.db2.gz WCVLZMOCVRLMSY-CYBMUJFWSA-N 1 0 247.382 3.636 20 0 BHADRO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCCCCC1 ZINC000561468682 323002491 /nfs/dbraw/zinc/00/24/91/323002491.db2.gz WCVLZMOCVRLMSY-ZDUSSCGKSA-N 1 0 247.382 3.636 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000561476124 323002490 /nfs/dbraw/zinc/00/24/90/323002490.db2.gz LKOSKRRMRUDCEA-UHFFFAOYSA-N 1 0 249.398 3.998 20 0 BHADRO COc1ccccc1/C=C/C[NH2+]C(C)(C)C(C)C ZINC000561476302 323002462 /nfs/dbraw/zinc/00/24/62/323002462.db2.gz VUDWAWKUGMXMDO-CSKARUKUSA-N 1 0 247.382 3.733 20 0 BHADRO COc1ccccc1/C=C\C[NH2+]C(C)(C)C(C)C ZINC000561476303 323002478 /nfs/dbraw/zinc/00/24/78/323002478.db2.gz VUDWAWKUGMXMDO-NTMALXAHSA-N 1 0 247.382 3.733 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000561485921 323002577 /nfs/dbraw/zinc/00/25/77/323002577.db2.gz HQCVQTONQULXRM-HNNXBMFYSA-N 1 0 233.330 3.523 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000561485923 323002564 /nfs/dbraw/zinc/00/25/64/323002564.db2.gz HQCVQTONQULXRM-OAHLLOKOSA-N 1 0 233.330 3.523 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000561498398 323002960 /nfs/dbraw/zinc/00/29/60/323002960.db2.gz NIKXGDPLEBLNKU-UHFFFAOYSA-N 1 0 245.370 3.621 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCSC1 ZINC000561527633 323003471 /nfs/dbraw/zinc/00/34/71/323003471.db2.gz JJOVCMXBRYXBBE-NRMKIYEFSA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCSC1 ZINC000561527634 323003524 /nfs/dbraw/zinc/00/35/24/323003524.db2.gz JJOVCMXBRYXBBE-VOMSXAGXSA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCCSC1 ZINC000561527635 323003448 /nfs/dbraw/zinc/00/34/48/323003448.db2.gz JJOVCMXBRYXBBE-VSKPTYQZSA-N 1 0 247.407 3.575 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCCSC1 ZINC000561527636 323003439 /nfs/dbraw/zinc/00/34/39/323003439.db2.gz JJOVCMXBRYXBBE-WVUXNXBLSA-N 1 0 247.407 3.575 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000561618238 345156956 /nfs/dbraw/zinc/15/69/56/345156956.db2.gz STBWYYGPHDNIBM-CABCVRRESA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000561618239 345156769 /nfs/dbraw/zinc/15/67/69/345156769.db2.gz STBWYYGPHDNIBM-GJZGRUSLSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000561618240 345156643 /nfs/dbraw/zinc/15/66/43/345156643.db2.gz STBWYYGPHDNIBM-HUUCEWRRSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000561618241 345156672 /nfs/dbraw/zinc/15/66/72/345156672.db2.gz STBWYYGPHDNIBM-LSDHHAIUSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC1CCC(C[NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000561756418 323006477 /nfs/dbraw/zinc/00/64/77/323006477.db2.gz AGXHQUFMQWKUBQ-TYUFSLCMSA-N 1 0 245.357 3.836 20 0 BHADRO CCc1ccc(C[NH2+]CCC2(F)CCC2)cc1 ZINC000561758186 323006506 /nfs/dbraw/zinc/00/65/06/323006506.db2.gz VCAOZSGRALMHOT-UHFFFAOYSA-N 1 0 235.346 3.621 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000561768954 323006732 /nfs/dbraw/zinc/00/67/32/323006732.db2.gz ATRGKAHWCVOMLY-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000561768955 323006794 /nfs/dbraw/zinc/00/67/94/323006794.db2.gz ATRGKAHWCVOMLY-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C(C)(C)C ZINC000561778458 323006878 /nfs/dbraw/zinc/00/68/78/323006878.db2.gz GWWCBLYPVIXSJN-IHRRRGAJSA-N 1 0 243.435 3.586 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C(C)(C)C ZINC000561778459 323006875 /nfs/dbraw/zinc/00/68/75/323006875.db2.gz GWWCBLYPVIXSJN-MCIONIFRSA-N 1 0 243.435 3.586 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C(C)(C)C ZINC000561778460 323006922 /nfs/dbraw/zinc/00/69/22/323006922.db2.gz GWWCBLYPVIXSJN-MJBXVCDLSA-N 1 0 243.435 3.586 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)C[C@H](C)O)C(C)(C)C ZINC000561778461 323006861 /nfs/dbraw/zinc/00/68/61/323006861.db2.gz GWWCBLYPVIXSJN-RDBSUJKOSA-N 1 0 243.435 3.586 20 0 BHADRO CCC(CC)[N@H+](CC)CCCCCF ZINC000561787683 323007039 /nfs/dbraw/zinc/00/70/39/323007039.db2.gz OOCUENZONVMZTA-UHFFFAOYSA-N 1 0 203.345 3.637 20 0 BHADRO CCC(CC)[N@H+](CC)CCC(=O)c1ccccc1 ZINC000561788005 323007087 /nfs/dbraw/zinc/00/70/87/323007087.db2.gz RLAIHORZLVASRV-UHFFFAOYSA-N 1 0 247.382 3.770 20 0 BHADRO CCC[N@H+](Cc1cccc(C)c1)C(C)C ZINC000561809945 323007379 /nfs/dbraw/zinc/00/73/79/323007379.db2.gz FOVGRYPOBTYPLR-UHFFFAOYSA-N 1 0 205.345 3.615 20 0 BHADRO CCC[N@H+](Cc1ccccc1Cl)C(C)C ZINC000561810350 323007339 /nfs/dbraw/zinc/00/73/39/323007339.db2.gz IDLVEVIPLHUARP-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO CCC[N@H+](CCc1ccc(OC)cc1)CC(C)C ZINC000561810461 323007398 /nfs/dbraw/zinc/00/73/98/323007398.db2.gz JOLSMOQPMQXCLO-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC[C@H]([NH2+]C1(c2ccccc2)CCC1)C1CC1 ZINC000561813833 323007342 /nfs/dbraw/zinc/00/73/42/323007342.db2.gz DIZUPLRZIDEJJW-HNNXBMFYSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@@H]([NH2+]C1(c2ccccc2)CCC1)C1CC1 ZINC000561813835 323007382 /nfs/dbraw/zinc/00/73/82/323007382.db2.gz DIZUPLRZIDEJJW-OAHLLOKOSA-N 1 0 229.367 3.844 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1F)C(C)C ZINC000561816636 323007555 /nfs/dbraw/zinc/00/75/55/323007555.db2.gz NECZNSDNNUBLBD-UHFFFAOYSA-N 1 0 227.298 3.585 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1(C)CC1 ZINC000561838673 323007712 /nfs/dbraw/zinc/00/77/12/323007712.db2.gz FMDJZCJOAOHTHG-BZOOQXSSSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1(C)CC1 ZINC000561838674 323007724 /nfs/dbraw/zinc/00/77/24/323007724.db2.gz FMDJZCJOAOHTHG-KTAKPFMOSA-N 1 0 243.394 3.885 20 0 BHADRO CCCC[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000561841347 323007791 /nfs/dbraw/zinc/00/77/91/323007791.db2.gz DXMMHUPQSRHKPW-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO CCCC[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000561841348 323007766 /nfs/dbraw/zinc/00/77/66/323007766.db2.gz DXMMHUPQSRHKPW-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000561846953 323007900 /nfs/dbraw/zinc/00/79/00/323007900.db2.gz BVHZAMKQEDHABF-GFCCVEGCSA-N 1 0 245.366 3.597 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000561846957 323007888 /nfs/dbraw/zinc/00/78/88/323007888.db2.gz BVHZAMKQEDHABF-LBPRGKRZSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCOC2CCC2)c1C ZINC000561847786 323007882 /nfs/dbraw/zinc/00/78/82/323007882.db2.gz VDSCTCYGEDEWMK-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCOC2CCC2)c1C ZINC000561847787 323007906 /nfs/dbraw/zinc/00/79/06/323007906.db2.gz VDSCTCYGEDEWMK-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO c1ccc(C2([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000561855719 323007986 /nfs/dbraw/zinc/00/79/86/323007986.db2.gz DOJCWEPQEMMBRT-HNNXBMFYSA-N 1 0 249.357 3.605 20 0 BHADRO c1ccc(C2([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000561855729 323008052 /nfs/dbraw/zinc/00/80/52/323008052.db2.gz DOJCWEPQEMMBRT-OAHLLOKOSA-N 1 0 249.357 3.605 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000561887123 323008380 /nfs/dbraw/zinc/00/83/80/323008380.db2.gz TXEUKZBYWAMNNG-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000561887124 323008344 /nfs/dbraw/zinc/00/83/44/323008344.db2.gz TXEUKZBYWAMNNG-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000561887125 323008361 /nfs/dbraw/zinc/00/83/61/323008361.db2.gz TXEUKZBYWAMNNG-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000561887126 323008421 /nfs/dbraw/zinc/00/84/21/323008421.db2.gz TXEUKZBYWAMNNG-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000561891832 323008462 /nfs/dbraw/zinc/00/84/62/323008462.db2.gz PESZOBARECSRPN-HRCADAONSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000561891833 323008483 /nfs/dbraw/zinc/00/84/83/323008483.db2.gz PESZOBARECSRPN-OWCLPIDISA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000561891834 323008454 /nfs/dbraw/zinc/00/84/54/323008454.db2.gz PESZOBARECSRPN-PMPSAXMXSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000561897131 323008585 /nfs/dbraw/zinc/00/85/85/323008585.db2.gz OSGBZOCJXSFZTI-INIZCTEOSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000561897132 323008572 /nfs/dbraw/zinc/00/85/72/323008572.db2.gz OSGBZOCJXSFZTI-MRXNPFEDSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)=CCN1Cc2cccc(Cl)c2C1 ZINC000561924824 323008730 /nfs/dbraw/zinc/00/87/30/323008730.db2.gz RIYLXSPOXUCJMU-UHFFFAOYSA-N 1 0 221.731 3.622 20 0 BHADRO CCCCC[N@H+](CC1(SC)CC1)C(C)C ZINC000561943265 323008864 /nfs/dbraw/zinc/00/88/64/323008864.db2.gz NKMLAOKYQHLGRZ-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CC(C(F)(F)F)C1 ZINC000561944764 323008986 /nfs/dbraw/zinc/00/89/86/323008986.db2.gz CQJWDWQNLTUGQR-GFCCVEGCSA-N 1 0 243.272 3.632 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CC(C(F)(F)F)C1 ZINC000561944769 323009045 /nfs/dbraw/zinc/00/90/45/323009045.db2.gz CQJWDWQNLTUGQR-LBPRGKRZSA-N 1 0 243.272 3.632 20 0 BHADRO C[N@H+](CCCC1CCCCC1)Cc1ccc[nH]1 ZINC000561948515 323009179 /nfs/dbraw/zinc/00/91/79/323009179.db2.gz PLPSWDVZFYGIQE-UHFFFAOYSA-N 1 0 234.387 3.807 20 0 BHADRO CC[C@H]([NH2+]CCCc1cnccc1C)C(C)(C)C ZINC000561948834 323009061 /nfs/dbraw/zinc/00/90/61/323009061.db2.gz UXGRLCWPDOAWDH-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]([NH2+]CCCc1cnccc1C)C(C)(C)C ZINC000561948847 323009162 /nfs/dbraw/zinc/00/91/62/323009162.db2.gz UXGRLCWPDOAWDH-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CCc1ccc(C[NH+]2CCC(C(C)C)CC2)cn1 ZINC000561950237 323009066 /nfs/dbraw/zinc/00/90/66/323009066.db2.gz TVVUREOJIUNRLL-UHFFFAOYSA-N 1 0 246.398 3.512 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000561951892 323009304 /nfs/dbraw/zinc/00/93/04/323009304.db2.gz PIPPXLFZGVUOHB-CYBMUJFWSA-N 1 0 242.366 3.646 20 0 BHADRO CC[C@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000561951893 323009279 /nfs/dbraw/zinc/00/92/79/323009279.db2.gz PIPPXLFZGVUOHB-ZDUSSCGKSA-N 1 0 242.366 3.646 20 0 BHADRO CCCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000561954741 323009201 /nfs/dbraw/zinc/00/92/01/323009201.db2.gz WRGFYUIEOZGXDH-UHFFFAOYSA-N 1 0 242.366 3.647 20 0 BHADRO Cc1cc(C[NH2+]CC2CC(C)(C)C2)cc(C)c1O ZINC000561955280 323009415 /nfs/dbraw/zinc/00/94/15/323009415.db2.gz YCQPADIWMYQTBQ-UHFFFAOYSA-N 1 0 247.382 3.535 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)cn1 ZINC000561955573 323009509 /nfs/dbraw/zinc/00/95/09/323009509.db2.gz ZPRUTFHXIKOOHT-HNNXBMFYSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)cn1 ZINC000561955574 323009524 /nfs/dbraw/zinc/00/95/24/323009524.db2.gz ZPRUTFHXIKOOHT-OAHLLOKOSA-N 1 0 246.398 3.512 20 0 BHADRO CC(C)CCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000561957684 323009421 /nfs/dbraw/zinc/00/94/21/323009421.db2.gz INQFORPZBVPTOQ-UHFFFAOYSA-N 1 0 233.346 3.932 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561958216 323009356 /nfs/dbraw/zinc/00/93/56/323009356.db2.gz UDMKOTQTVLNNOD-CMPLNLGQSA-N 1 0 241.375 3.879 20 0 BHADRO C[C@H](F)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561958218 323009316 /nfs/dbraw/zinc/00/93/16/323009316.db2.gz UDMKOTQTVLNNOD-JQWIXIFHSA-N 1 0 241.375 3.879 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561958219 323009246 /nfs/dbraw/zinc/00/92/46/323009246.db2.gz UDMKOTQTVLNNOD-PWSUYJOCSA-N 1 0 241.375 3.879 20 0 BHADRO C[C@@H](F)CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561958222 323009265 /nfs/dbraw/zinc/00/92/65/323009265.db2.gz UDMKOTQTVLNNOD-ZYHUDNBSSA-N 1 0 241.375 3.879 20 0 BHADRO CC(C)CC[N@H+](C)C1CCC(F)(F)CC1 ZINC000561958535 323009359 /nfs/dbraw/zinc/00/93/59/323009359.db2.gz XNRODWHQGWUAMA-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO CC1(C)C[N@H+](CCCCF)[C@@H]1c1cccs1 ZINC000561960372 385183108 /nfs/dbraw/zinc/18/31/08/385183108.db2.gz RLXQDWCLADMKJC-GFCCVEGCSA-N 1 0 241.375 3.881 20 0 BHADRO CC1(C)C[N@H+](CCCCF)[C@H]1c1cccs1 ZINC000561960373 385183615 /nfs/dbraw/zinc/18/36/15/385183615.db2.gz RLXQDWCLADMKJC-LBPRGKRZSA-N 1 0 241.375 3.881 20 0 BHADRO CC/C=C\CC[N@H+](C)C1CCC(F)(F)CC1 ZINC000561961038 323009401 /nfs/dbraw/zinc/00/94/01/323009401.db2.gz HYRVAHAHOQTBDO-PLNGDYQASA-N 1 0 231.330 3.852 20 0 BHADRO CC/C=C/CC[N@H+](C)C1CCC(F)(F)CC1 ZINC000561961039 323009431 /nfs/dbraw/zinc/00/94/31/323009431.db2.gz HYRVAHAHOQTBDO-SNAWJCMRSA-N 1 0 231.330 3.852 20 0 BHADRO C[N@H+](C1CCC(F)(F)CC1)[C@@H]1C=CCCC1 ZINC000561961751 345263275 /nfs/dbraw/zinc/26/32/75/345263275.db2.gz NGDKJKRMXYZUAD-LLVKDONJSA-N 1 0 229.314 3.605 20 0 BHADRO C[N@H+](C1CCC(F)(F)CC1)[C@H]1C=CCCC1 ZINC000561961756 345263243 /nfs/dbraw/zinc/26/32/43/345263243.db2.gz NGDKJKRMXYZUAD-NSHDSACASA-N 1 0 229.314 3.605 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000561967227 323009604 /nfs/dbraw/zinc/00/96/04/323009604.db2.gz BWUIVPXLQLOUOM-LLVKDONJSA-N 1 0 245.370 3.650 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000561967228 323009539 /nfs/dbraw/zinc/00/95/39/323009539.db2.gz BWUIVPXLQLOUOM-NSHDSACASA-N 1 0 245.370 3.650 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(c2ccncc2)CC1 ZINC000561971401 323009742 /nfs/dbraw/zinc/00/97/42/323009742.db2.gz MKYSURJSGITNNY-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(c2ccncc2)CC1 ZINC000561971402 323009684 /nfs/dbraw/zinc/00/96/84/323009684.db2.gz MKYSURJSGITNNY-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000562019043 323010353 /nfs/dbraw/zinc/01/03/53/323010353.db2.gz ZHQZFYDDBVQYEG-JMSVASOKSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000562019058 323010342 /nfs/dbraw/zinc/01/03/42/323010342.db2.gz ZHQZFYDDBVQYEG-LALPHHSUSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000562019059 323010291 /nfs/dbraw/zinc/01/02/91/323010291.db2.gz ZHQZFYDDBVQYEG-YWPYICTPSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000562019158 323010416 /nfs/dbraw/zinc/01/04/16/323010416.db2.gz ZHQZFYDDBVQYEG-ZOWXZIJZSA-N 1 0 235.346 3.707 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000562020116 323010554 /nfs/dbraw/zinc/01/05/54/323010554.db2.gz UYMLELDGPSCETI-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1F ZINC000562020217 323010523 /nfs/dbraw/zinc/01/05/23/323010523.db2.gz TXNPBEGCTYHPEH-GXTWGEPZSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000562020218 323010529 /nfs/dbraw/zinc/01/05/29/323010529.db2.gz TXNPBEGCTYHPEH-JSGCOSHPSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000562020219 323010545 /nfs/dbraw/zinc/01/05/45/323010545.db2.gz TXNPBEGCTYHPEH-OCCSQVGLSA-N 1 0 235.346 3.740 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1F ZINC000562020220 323010559 /nfs/dbraw/zinc/01/05/59/323010559.db2.gz TXNPBEGCTYHPEH-TZMCWYRMSA-N 1 0 235.346 3.740 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)COc1cccc(C)c1 ZINC000562020228 323010553 /nfs/dbraw/zinc/01/05/53/323010553.db2.gz UOSOFIPQBNVHCK-FMKPAKJESA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)COc1cccc(C)c1 ZINC000562020229 323010505 /nfs/dbraw/zinc/01/05/05/323010505.db2.gz UOSOFIPQBNVHCK-IIAWOOMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)COc1cccc(C)c1 ZINC000562020230 323010544 /nfs/dbraw/zinc/01/05/44/323010544.db2.gz UOSOFIPQBNVHCK-LZWOXQAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)COc1cccc(C)c1 ZINC000562020231 323010551 /nfs/dbraw/zinc/01/05/51/323010551.db2.gz UOSOFIPQBNVHCK-SQWLQELKSA-N 1 0 247.382 3.541 20 0 BHADRO CCCCOCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000562020271 323010536 /nfs/dbraw/zinc/01/05/36/323010536.db2.gz UYMLELDGPSCETI-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000562020272 323010567 /nfs/dbraw/zinc/01/05/67/323010567.db2.gz UYMLELDGPSCETI-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCOCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000562020274 323010498 /nfs/dbraw/zinc/01/04/98/323010498.db2.gz UYMLELDGPSCETI-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000562023552 323010667 /nfs/dbraw/zinc/01/06/67/323010667.db2.gz KNQXNHANEOHOQI-DAXOMENPSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000562023553 323010670 /nfs/dbraw/zinc/01/06/70/323010670.db2.gz KNQXNHANEOHOQI-KCXAZCMYSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000562023554 323010582 /nfs/dbraw/zinc/01/05/82/323010582.db2.gz KNQXNHANEOHOQI-UHOFOFEASA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000562023555 323010644 /nfs/dbraw/zinc/01/06/44/323010644.db2.gz KNQXNHANEOHOQI-WQVCFCJDSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000562023809 323010631 /nfs/dbraw/zinc/01/06/31/323010631.db2.gz WELTWJANMPUPNV-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000562023810 323010654 /nfs/dbraw/zinc/01/06/54/323010654.db2.gz WELTWJANMPUPNV-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000562023811 323010621 /nfs/dbraw/zinc/01/06/21/323010621.db2.gz WELTWJANMPUPNV-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000562023812 323010630 /nfs/dbraw/zinc/01/06/30/323010630.db2.gz WELTWJANMPUPNV-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000562024020 323010614 /nfs/dbraw/zinc/01/06/14/323010614.db2.gz ZUHZKBXRDNGTAD-JMSVASOKSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000562024022 323010653 /nfs/dbraw/zinc/01/06/53/323010653.db2.gz ZUHZKBXRDNGTAD-LALPHHSUSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000562024023 323010646 /nfs/dbraw/zinc/01/06/46/323010646.db2.gz ZUHZKBXRDNGTAD-YWPYICTPSA-N 1 0 233.355 3.534 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000562024025 323010620 /nfs/dbraw/zinc/01/06/20/323010620.db2.gz ZUHZKBXRDNGTAD-ZOWXZIJZSA-N 1 0 233.355 3.534 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562025386 323010643 /nfs/dbraw/zinc/01/06/43/323010643.db2.gz SQWKFQZICAPXHI-BPUTZDHNSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562025387 323010624 /nfs/dbraw/zinc/01/06/24/323010624.db2.gz SQWKFQZICAPXHI-CWRNSKLLSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562025388 323010672 /nfs/dbraw/zinc/01/06/72/323010672.db2.gz SQWKFQZICAPXHI-KBMXLJTQSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562025389 323010636 /nfs/dbraw/zinc/01/06/36/323010636.db2.gz SQWKFQZICAPXHI-VNQPRFMTSA-N 1 0 245.341 3.591 20 0 BHADRO CC[N@H+](C[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000562033747 323010996 /nfs/dbraw/zinc/01/09/96/323010996.db2.gz IRGTUTRRYJVKDQ-LLVKDONJSA-N 1 0 237.774 3.928 20 0 BHADRO CC[N@H+](C[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000562033753 323010990 /nfs/dbraw/zinc/01/09/90/323010990.db2.gz IRGTUTRRYJVKDQ-NSHDSACASA-N 1 0 237.774 3.928 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000562038119 323010863 /nfs/dbraw/zinc/01/08/63/323010863.db2.gz KPABGZGNPVIZRT-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000562038121 323010870 /nfs/dbraw/zinc/01/08/70/323010870.db2.gz KPABGZGNPVIZRT-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000562038122 323010869 /nfs/dbraw/zinc/01/08/69/323010869.db2.gz KPABGZGNPVIZRT-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000562038124 323010835 /nfs/dbraw/zinc/01/08/35/323010835.db2.gz KPABGZGNPVIZRT-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000562039481 323010881 /nfs/dbraw/zinc/01/08/81/323010881.db2.gz JXQLQTLLRXZLCQ-KFWWJZLASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000562039482 323010831 /nfs/dbraw/zinc/01/08/31/323010831.db2.gz JXQLQTLLRXZLCQ-RBSFLKMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Oc1ccccc1C ZINC000562039483 323010853 /nfs/dbraw/zinc/01/08/53/323010853.db2.gz JXQLQTLLRXZLCQ-RRFJBIMHSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Oc1ccccc1C ZINC000562039484 323010887 /nfs/dbraw/zinc/01/08/87/323010887.db2.gz JXQLQTLLRXZLCQ-ZNMIVQPWSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)o1 ZINC000562039547 323010820 /nfs/dbraw/zinc/01/08/20/323010820.db2.gz LXBMXIRCJPDCOA-IUIKQTSFSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)o1 ZINC000562039548 323010852 /nfs/dbraw/zinc/01/08/52/323010852.db2.gz LXBMXIRCJPDCOA-KNXALSJPSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)o1 ZINC000562039549 323010883 /nfs/dbraw/zinc/01/08/83/323010883.db2.gz LXBMXIRCJPDCOA-UVBJJODRSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)o1 ZINC000562039550 323010896 /nfs/dbraw/zinc/01/08/96/323010896.db2.gz LXBMXIRCJPDCOA-XZJROXQQSA-N 1 0 247.382 3.687 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562040602 323010882 /nfs/dbraw/zinc/01/08/82/323010882.db2.gz BPSHNBOVTPJSGO-CVEARBPZSA-N 1 0 229.367 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562040603 323010894 /nfs/dbraw/zinc/01/08/94/323010894.db2.gz BPSHNBOVTPJSGO-HOTGVXAUSA-N 1 0 229.367 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562040604 323010850 /nfs/dbraw/zinc/01/08/50/323010850.db2.gz BPSHNBOVTPJSGO-HZPDHXFCSA-N 1 0 229.367 3.527 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562040605 323010906 /nfs/dbraw/zinc/01/09/06/323010906.db2.gz BPSHNBOVTPJSGO-JKSUJKDBSA-N 1 0 229.367 3.527 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562040615 323010947 /nfs/dbraw/zinc/01/09/47/323010947.db2.gz BTJORYAHNBYYAY-DOMZBBRYSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562040616 323010926 /nfs/dbraw/zinc/01/09/26/323010926.db2.gz BTJORYAHNBYYAY-IUODEOHRSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562040617 323010907 /nfs/dbraw/zinc/01/09/07/323010907.db2.gz BTJORYAHNBYYAY-SWLSCSKDSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562040618 323011000 /nfs/dbraw/zinc/01/10/00/323011000.db2.gz BTJORYAHNBYYAY-WFASDCNBSA-N 1 0 247.357 3.636 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](c1ncccc1C)C(C)C ZINC000562041910 323010871 /nfs/dbraw/zinc/01/08/71/323010871.db2.gz QFVAQBPIFQVVRO-ILXRZTDVSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](c1ncccc1C)C(C)C ZINC000562041911 323010811 /nfs/dbraw/zinc/01/08/11/323010811.db2.gz QFVAQBPIFQVVRO-KFWWJZLASA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000562041912 323010817 /nfs/dbraw/zinc/01/08/17/323010817.db2.gz QFVAQBPIFQVVRO-QLFBSQMISA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000562041913 323010815 /nfs/dbraw/zinc/01/08/15/323010815.db2.gz QFVAQBPIFQVVRO-RBSFLKMASA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H](C)c1ccccc1 ZINC000562042196 323011085 /nfs/dbraw/zinc/01/10/85/323011085.db2.gz WWAGQVNVNWLQCI-DLTLXFJOSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562042197 323011092 /nfs/dbraw/zinc/01/10/92/323011092.db2.gz WWAGQVNVNWLQCI-MGBSGCIJSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H](C)c1ccccc1 ZINC000562042198 323011034 /nfs/dbraw/zinc/01/10/34/323011034.db2.gz WWAGQVNVNWLQCI-OSRSDYAFSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562042199 323011060 /nfs/dbraw/zinc/01/10/60/323011060.db2.gz WWAGQVNVNWLQCI-WRFANHODSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@H+](C)CC1CCC1 ZINC000562043406 323011101 /nfs/dbraw/zinc/01/11/01/323011101.db2.gz WBENGWALNDAMTP-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@H+](C)CC1CCC1 ZINC000562043408 323011062 /nfs/dbraw/zinc/01/10/62/323011062.db2.gz WBENGWALNDAMTP-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@H]1CC[C@H]1CC)OC ZINC000562055274 345276133 /nfs/dbraw/zinc/27/61/33/345276133.db2.gz SGBAMMSCKCPNCX-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@H]1CC)OC ZINC000562055275 345275977 /nfs/dbraw/zinc/27/59/77/345275977.db2.gz SGBAMMSCKCPNCX-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@H]1CC[C@H]1CC)OC ZINC000562055276 345275780 /nfs/dbraw/zinc/27/57/80/345275780.db2.gz SGBAMMSCKCPNCX-QLFBSQMISA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)[C@@H](CC[NH2+][C@@H]1CC[C@H]1CC)OC ZINC000562055277 345276050 /nfs/dbraw/zinc/27/60/50/345276050.db2.gz SGBAMMSCKCPNCX-RBSFLKMASA-N 1 0 241.419 3.606 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000562057479 323011386 /nfs/dbraw/zinc/01/13/86/323011386.db2.gz IGONZBADXQLXAN-CHWSQXEVSA-N 1 0 245.357 3.777 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000562057486 323011350 /nfs/dbraw/zinc/01/13/50/323011350.db2.gz IGONZBADXQLXAN-OLZOCXBDSA-N 1 0 245.357 3.777 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000562057488 323011396 /nfs/dbraw/zinc/01/13/96/323011396.db2.gz IGONZBADXQLXAN-QWHCGFSZSA-N 1 0 245.357 3.777 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000562057489 323011401 /nfs/dbraw/zinc/01/14/01/323011401.db2.gz IGONZBADXQLXAN-STQMWFEESA-N 1 0 245.357 3.777 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)COC ZINC000562059733 323011348 /nfs/dbraw/zinc/01/13/48/323011348.db2.gz YFNSRHSOIQGHOX-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)COC ZINC000562059734 323011385 /nfs/dbraw/zinc/01/13/85/323011385.db2.gz YFNSRHSOIQGHOX-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(C)COC ZINC000562059735 323011352 /nfs/dbraw/zinc/01/13/52/323011352.db2.gz YFNSRHSOIQGHOX-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)COC ZINC000562059736 323011434 /nfs/dbraw/zinc/01/14/34/323011434.db2.gz YFNSRHSOIQGHOX-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562059938 323011343 /nfs/dbraw/zinc/01/13/43/323011343.db2.gz RNWVOPSFJHLOOX-GDBMZVCRSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562059939 323011453 /nfs/dbraw/zinc/01/14/53/323011453.db2.gz RNWVOPSFJHLOOX-GOEBONIOSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562059940 323011375 /nfs/dbraw/zinc/01/13/75/323011375.db2.gz RNWVOPSFJHLOOX-HOCLYGCPSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562059941 323011412 /nfs/dbraw/zinc/01/14/12/323011412.db2.gz RNWVOPSFJHLOOX-ZBFHGGJFSA-N 1 0 247.357 3.537 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000562062267 345277265 /nfs/dbraw/zinc/27/72/65/345277265.db2.gz ORWPLIZBLJUICI-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000562062268 345277466 /nfs/dbraw/zinc/27/74/66/345277466.db2.gz ORWPLIZBLJUICI-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000562062528 323011226 /nfs/dbraw/zinc/01/12/26/323011226.db2.gz WRUZCUYWZGNOLC-BFHYXJOUSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000562062529 323011338 /nfs/dbraw/zinc/01/13/38/323011338.db2.gz WRUZCUYWZGNOLC-IHRRRGAJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000562062530 323011243 /nfs/dbraw/zinc/01/12/43/323011243.db2.gz WRUZCUYWZGNOLC-MELADBBJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000562062531 323011229 /nfs/dbraw/zinc/01/12/29/323011229.db2.gz WRUZCUYWZGNOLC-MJBXVCDLSA-N 1 0 235.346 3.845 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000562064881 323011656 /nfs/dbraw/zinc/01/16/56/323011656.db2.gz OMCOWZDBBAOJJN-CVEARBPZSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000562064883 323011580 /nfs/dbraw/zinc/01/15/80/323011580.db2.gz OMCOWZDBBAOJJN-HOTGVXAUSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000562064885 323011655 /nfs/dbraw/zinc/01/16/55/323011655.db2.gz OMCOWZDBBAOJJN-HZPDHXFCSA-N 1 0 243.394 3.568 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000562064886 323011635 /nfs/dbraw/zinc/01/16/35/323011635.db2.gz OMCOWZDBBAOJJN-JKSUJKDBSA-N 1 0 243.394 3.568 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000562066958 323011512 /nfs/dbraw/zinc/01/15/12/323011512.db2.gz ZIWHDALDNUVHFT-PBHICJAKSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000562066959 323011499 /nfs/dbraw/zinc/01/14/99/323011499.db2.gz ZIWHDALDNUVHFT-RHSMWYFYSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000562066961 323011479 /nfs/dbraw/zinc/01/14/79/323011479.db2.gz ZIWHDALDNUVHFT-WMLDXEAASA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000562066965 323011503 /nfs/dbraw/zinc/01/15/03/323011503.db2.gz ZIWHDALDNUVHFT-YOEHRIQHSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000562066980 323011462 /nfs/dbraw/zinc/01/14/62/323011462.db2.gz ZWAYVJRCZQASNA-XQQFMLRXSA-N 1 0 239.309 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)CC2 ZINC000562082338 323011905 /nfs/dbraw/zinc/01/19/05/323011905.db2.gz YHVWNHZWYJHTLW-CWRNSKLLSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)CC2 ZINC000562082339 323011860 /nfs/dbraw/zinc/01/18/60/323011860.db2.gz YHVWNHZWYJHTLW-FVQBIDKESA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)CC2 ZINC000562082340 323011825 /nfs/dbraw/zinc/01/18/25/323011825.db2.gz YHVWNHZWYJHTLW-NUEKZKHPSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)CC2 ZINC000562082341 323011803 /nfs/dbraw/zinc/01/18/03/323011803.db2.gz YHVWNHZWYJHTLW-VNQPRFMTSA-N 1 0 245.341 3.591 20 0 BHADRO CCCOc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000562082414 323011889 /nfs/dbraw/zinc/01/18/89/323011889.db2.gz ZJQGIQXEPNEVGE-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CCC1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000562086831 323011972 /nfs/dbraw/zinc/01/19/72/323011972.db2.gz KFBAVQQWDHAFKO-UHFFFAOYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCCCC1 ZINC000562087617 323011802 /nfs/dbraw/zinc/01/18/02/323011802.db2.gz PPNGVSWDDUMUFZ-GCVQQVDUSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C1CCCCC1 ZINC000562087618 323011814 /nfs/dbraw/zinc/01/18/14/323011814.db2.gz PPNGVSWDDUMUFZ-OIKLOGQESA-N 1 0 249.320 3.886 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000562098601 323011980 /nfs/dbraw/zinc/01/19/80/323011980.db2.gz YWAUHZDMETXXHT-KFWWJZLASA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000562098602 323011960 /nfs/dbraw/zinc/01/19/60/323011960.db2.gz YWAUHZDMETXXHT-RBSFLKMASA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000562098603 323011951 /nfs/dbraw/zinc/01/19/51/323011951.db2.gz YWAUHZDMETXXHT-RRFJBIMHSA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000562098604 323012067 /nfs/dbraw/zinc/01/20/67/323012067.db2.gz YWAUHZDMETXXHT-ZNMIVQPWSA-N 1 0 242.451 3.520 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107385 323012133 /nfs/dbraw/zinc/01/21/33/323012133.db2.gz YTWOWUBOFZUATC-ILDUYXDCSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107386 323012158 /nfs/dbraw/zinc/01/21/58/323012158.db2.gz YTWOWUBOFZUATC-VQXHTEKXSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107506 323012126 /nfs/dbraw/zinc/01/21/26/323012126.db2.gz XBFXIZHGVHIUKJ-JPPWEJMLSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107507 323012152 /nfs/dbraw/zinc/01/21/52/323012152.db2.gz XBFXIZHGVHIUKJ-LXKPXOPUSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107508 323012141 /nfs/dbraw/zinc/01/21/41/323012141.db2.gz XBFXIZHGVHIUKJ-TVUZUIDESA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107509 323012151 /nfs/dbraw/zinc/01/21/51/323012151.db2.gz XBFXIZHGVHIUKJ-WFBLGPOFSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@H]1C ZINC000562107965 323012313 /nfs/dbraw/zinc/01/23/13/323012313.db2.gz NJOPBPMPJVLOIX-GRGSRKJBSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@H]1C ZINC000562107966 323012315 /nfs/dbraw/zinc/01/23/15/323012315.db2.gz NJOPBPMPJVLOIX-HBUVQDDESA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@@H]1C ZINC000562107967 323012292 /nfs/dbraw/zinc/01/22/92/323012292.db2.gz NJOPBPMPJVLOIX-TZMBILIQSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@@H]1C ZINC000562107968 323012286 /nfs/dbraw/zinc/01/22/86/323012286.db2.gz NJOPBPMPJVLOIX-UREMCVEQSA-N 1 0 249.320 3.742 20 0 BHADRO CCCCOCC[N@H+](CC(C)C)C1CCCC1 ZINC000562141342 323012584 /nfs/dbraw/zinc/01/25/84/323012584.db2.gz RYFZEHAYHCRLHU-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000562206351 323013460 /nfs/dbraw/zinc/01/34/60/323013460.db2.gz BDVUJBUAMLBLEH-BXUZGUMPSA-N 1 0 249.423 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000562206353 323013413 /nfs/dbraw/zinc/01/34/13/323013413.db2.gz BDVUJBUAMLBLEH-FZMZJTMJSA-N 1 0 249.423 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000562206354 323013443 /nfs/dbraw/zinc/01/34/43/323013443.db2.gz BDVUJBUAMLBLEH-RISCZKNCSA-N 1 0 249.423 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000562206355 323013387 /nfs/dbraw/zinc/01/33/87/323013387.db2.gz BDVUJBUAMLBLEH-SMDDNHRTSA-N 1 0 249.423 3.800 20 0 BHADRO CC[N@@H+](Cc1ccc(SC)s1)CC1CC1 ZINC000562207676 323013421 /nfs/dbraw/zinc/01/34/21/323013421.db2.gz YHOQKQJPPRKKPJ-UHFFFAOYSA-N 1 0 241.425 3.702 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cn1)[C@H](C)C(C)C ZINC000562263272 323014292 /nfs/dbraw/zinc/01/42/92/323014292.db2.gz QJHZZLGMVRYEAY-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1ccc(Cl)cn1)[C@@H](C)C(C)C ZINC000562263273 323014270 /nfs/dbraw/zinc/01/42/70/323014270.db2.gz QJHZZLGMVRYEAY-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO c1[nH+]c(NC(C2CC2)C2CC2)cc2c1CCCC2 ZINC000562282602 323014892 /nfs/dbraw/zinc/01/48/92/323014892.db2.gz OWBMXZNIZDNFKJ-UHFFFAOYSA-N 1 0 242.366 3.561 20 0 BHADRO C[C@@H]([N@H+](C)CCCC1CCOCC1)C(C)(C)C ZINC000562301473 323015519 /nfs/dbraw/zinc/01/55/19/323015519.db2.gz YLXIVYMYSIEEBD-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H]([N@H+](C)CCCC1CCOCC1)C(C)(C)C ZINC000562301474 323015404 /nfs/dbraw/zinc/01/54/04/323015404.db2.gz YLXIVYMYSIEEBD-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO CC1(C[N@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000562340264 323016967 /nfs/dbraw/zinc/01/69/67/323016967.db2.gz IWVNJKQUIRVMHY-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCSC1 ZINC000562340568 323017083 /nfs/dbraw/zinc/01/70/83/323017083.db2.gz JHWPUQLNSNOZFE-HNNXBMFYSA-N 1 0 249.423 3.570 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCSC1 ZINC000562340569 323017043 /nfs/dbraw/zinc/01/70/43/323017043.db2.gz JHWPUQLNSNOZFE-OAHLLOKOSA-N 1 0 249.423 3.570 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1(C)CC1 ZINC000562340870 323017108 /nfs/dbraw/zinc/01/71/08/323017108.db2.gz YWOPBTZSGHBUCB-JTQLQIEISA-N 1 0 209.358 3.541 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1(C)CC1 ZINC000562340871 323017125 /nfs/dbraw/zinc/01/71/25/323017125.db2.gz YWOPBTZSGHBUCB-SNVBAGLBSA-N 1 0 209.358 3.541 20 0 BHADRO CCC[N@H+](CCc1cccs1)CC1(C)CC1 ZINC000562341407 323017110 /nfs/dbraw/zinc/01/71/10/323017110.db2.gz ZQVACLWUQKHHKN-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+]CC1(C)CC1 ZINC000562346529 323017329 /nfs/dbraw/zinc/01/73/29/323017329.db2.gz KVZIZIZKEOKOIG-UHFFFAOYSA-N 1 0 247.313 3.770 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+]CC2(C)CC2)cc1 ZINC000562347583 323017307 /nfs/dbraw/zinc/01/73/07/323017307.db2.gz QTNKQDGSQJDFDQ-CYBMUJFWSA-N 1 0 247.382 3.579 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+]CC2(C)CC2)cc1 ZINC000562347584 323017311 /nfs/dbraw/zinc/01/73/11/323017311.db2.gz QTNKQDGSQJDFDQ-ZDUSSCGKSA-N 1 0 247.382 3.579 20 0 BHADRO CC1(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000562347904 323017298 /nfs/dbraw/zinc/01/72/98/323017298.db2.gz OULLKJFLHVHDAE-UHFFFAOYSA-N 1 0 247.357 3.538 20 0 BHADRO CC1(C[NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000562347922 323017289 /nfs/dbraw/zinc/01/72/89/323017289.db2.gz SYVVRQGWQKXVCN-UHFFFAOYSA-N 1 0 249.785 3.761 20 0 BHADRO CC1(C[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000562364529 323017920 /nfs/dbraw/zinc/01/79/20/323017920.db2.gz HQKFMKSMJCRTAJ-AWEZNQCLSA-N 1 0 247.407 3.577 20 0 BHADRO CC1(C[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000562364530 323017951 /nfs/dbraw/zinc/01/79/51/323017951.db2.gz HQKFMKSMJCRTAJ-CQSZACIVSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc(CSCC[NH2+]CCCC2CC2)cc1 ZINC000562381060 323018672 /nfs/dbraw/zinc/01/86/72/323018672.db2.gz RBVQLDIHMJZVKG-UHFFFAOYSA-N 1 0 249.423 3.700 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000562415668 323019569 /nfs/dbraw/zinc/01/95/69/323019569.db2.gz GVZCHIXEPFSCBX-HNNXBMFYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000562415669 323019462 /nfs/dbraw/zinc/01/94/62/323019462.db2.gz GVZCHIXEPFSCBX-OAHLLOKOSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CC(C)(C)C1 ZINC000562416083 323019556 /nfs/dbraw/zinc/01/95/56/323019556.db2.gz MFZBLQCJKIPHBS-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C1CC(C)(C)C1 ZINC000562416084 323019496 /nfs/dbraw/zinc/01/94/96/323019496.db2.gz MFZBLQCJKIPHBS-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC3(CCC3)C2)o1 ZINC000562507897 323022349 /nfs/dbraw/zinc/02/23/49/323022349.db2.gz VGXPITVEDKRUNH-BXUZGUMPSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC3(CCC3)C2)o1 ZINC000562507898 323022312 /nfs/dbraw/zinc/02/23/12/323022312.db2.gz VGXPITVEDKRUNH-FZMZJTMJSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC3(CCC3)C2)o1 ZINC000562507899 323022353 /nfs/dbraw/zinc/02/23/53/323022353.db2.gz VGXPITVEDKRUNH-RISCZKNCSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC3(CCC3)C2)o1 ZINC000562507900 323022346 /nfs/dbraw/zinc/02/23/46/323022346.db2.gz VGXPITVEDKRUNH-SMDDNHRTSA-N 1 0 245.366 3.825 20 0 BHADRO Cc1cnccc1C[N@@H+](CC(C)C)C1CCCC1 ZINC000562515771 323022505 /nfs/dbraw/zinc/02/25/05/323022505.db2.gz HAOJFMPIHORWCK-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)([NH2+]Cc1cccc2ccoc21)C1CC1 ZINC000562517485 323022639 /nfs/dbraw/zinc/02/26/39/323022639.db2.gz RWUYCGTXHPWBNW-UHFFFAOYSA-N 1 0 229.323 3.711 20 0 BHADRO Cc1cnccc1C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000562519627 323022799 /nfs/dbraw/zinc/02/27/99/323022799.db2.gz BURTWEKNXAPTCT-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cnccc1C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000562519628 323022679 /nfs/dbraw/zinc/02/26/79/323022679.db2.gz BURTWEKNXAPTCT-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cnccc1C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000562519765 323022780 /nfs/dbraw/zinc/02/27/80/323022780.db2.gz NSLJPRUVCJXBDM-UHFFFAOYSA-N 1 0 246.398 3.789 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccsc1 ZINC000562521129 323022773 /nfs/dbraw/zinc/02/27/73/323022773.db2.gz FVLVTIHLXWQBET-UBHSHLNASA-N 1 0 237.412 3.561 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccsc1 ZINC000562521134 323022754 /nfs/dbraw/zinc/02/27/54/323022754.db2.gz FVLVTIHLXWQBET-XBFCOCLRSA-N 1 0 237.412 3.561 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000562522794 323022845 /nfs/dbraw/zinc/02/28/45/323022845.db2.gz XJXZDXHIVRRKGG-HNNXBMFYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000562522795 323022853 /nfs/dbraw/zinc/02/28/53/323022853.db2.gz XJXZDXHIVRRKGG-OAHLLOKOSA-N 1 0 247.382 3.851 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562524272 323022399 /nfs/dbraw/zinc/02/23/99/323022399.db2.gz MKHIAVQTYBCIIQ-BYNSBNAKSA-N 1 0 239.403 3.667 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562524273 323022463 /nfs/dbraw/zinc/02/24/63/323022463.db2.gz MKHIAVQTYBCIIQ-KBXIAJHMSA-N 1 0 239.403 3.667 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000562528919 323023399 /nfs/dbraw/zinc/02/33/99/323023399.db2.gz JAFLIDMBBBKFLQ-GHMZBOCLSA-N 1 0 233.346 3.788 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000562528920 323023444 /nfs/dbraw/zinc/02/34/44/323023444.db2.gz JAFLIDMBBBKFLQ-MNOVXSKESA-N 1 0 233.346 3.788 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000562528921 323023426 /nfs/dbraw/zinc/02/34/26/323023426.db2.gz JAFLIDMBBBKFLQ-QWRGUYRKSA-N 1 0 233.346 3.788 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CCCC1(F)F)C(C)(C)C ZINC000562528922 323023379 /nfs/dbraw/zinc/02/33/79/323023379.db2.gz JAFLIDMBBBKFLQ-WDEREUQCSA-N 1 0 233.346 3.788 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ncc(CC)o1)C(C)(C)C ZINC000562544589 323024125 /nfs/dbraw/zinc/02/41/25/323024125.db2.gz QFFQVMLVJOLMQX-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H]([NH2+]Cc1ncc(CC)o1)C(C)(C)C ZINC000562544590 323024153 /nfs/dbraw/zinc/02/41/53/323024153.db2.gz QFFQVMLVJOLMQX-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1COC ZINC000562564650 323024593 /nfs/dbraw/zinc/02/45/93/323024593.db2.gz JAWBPRZEZRZVAT-CYBMUJFWSA-N 1 0 249.398 3.747 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1COC ZINC000562564651 323024698 /nfs/dbraw/zinc/02/46/98/323024698.db2.gz JAWBPRZEZRZVAT-ZDUSSCGKSA-N 1 0 249.398 3.747 20 0 BHADRO CC[C@H]([NH2+]CC1CC(C)(C)C1)c1ccncc1 ZINC000562570940 323024794 /nfs/dbraw/zinc/02/47/94/323024794.db2.gz WUAFCYMLYOHQRH-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccncc1 ZINC000562570944 323024783 /nfs/dbraw/zinc/02/47/83/323024783.db2.gz WUAFCYMLYOHQRH-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000562574070 323024761 /nfs/dbraw/zinc/02/47/61/323024761.db2.gz VVNABDUUGFZAHC-CABCVRRESA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000562574076 323024769 /nfs/dbraw/zinc/02/47/69/323024769.db2.gz VVNABDUUGFZAHC-GJZGRUSLSA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000562574077 323024767 /nfs/dbraw/zinc/02/47/67/323024767.db2.gz VVNABDUUGFZAHC-HUUCEWRRSA-N 1 0 219.372 3.654 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000562574083 323024743 /nfs/dbraw/zinc/02/47/43/323024743.db2.gz VVNABDUUGFZAHC-LSDHHAIUSA-N 1 0 219.372 3.654 20 0 BHADRO CC1C[NH+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000562630553 345424476 /nfs/dbraw/zinc/42/44/76/345424476.db2.gz HGJBTQKZRPPTIH-UHFFFAOYSA-N 1 0 245.297 3.537 20 0 BHADRO Cc1cnccc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000562649574 323026369 /nfs/dbraw/zinc/02/63/69/323026369.db2.gz HDOGJRRVQZHOFF-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC000562653623 345427748 /nfs/dbraw/zinc/42/77/48/345427748.db2.gz OFFMKHLXWWQBSM-CHWSQXEVSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCF)C1 ZINC000562653624 345428001 /nfs/dbraw/zinc/42/80/01/345428001.db2.gz OFFMKHLXWWQBSM-OLZOCXBDSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC000562653625 345427881 /nfs/dbraw/zinc/42/78/81/345427881.db2.gz OFFMKHLXWWQBSM-QWHCGFSZSA-N 1 0 215.356 3.541 20 0 BHADRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCCF)C1 ZINC000562653626 345427871 /nfs/dbraw/zinc/42/78/71/345427871.db2.gz OFFMKHLXWWQBSM-STQMWFEESA-N 1 0 215.356 3.541 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000562664961 323026421 /nfs/dbraw/zinc/02/64/21/323026421.db2.gz JWELKUJTGUEWNE-CRWXNKLISA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000562664963 323026436 /nfs/dbraw/zinc/02/64/36/323026436.db2.gz JWELKUJTGUEWNE-DGAVXFQQSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000562664964 323026494 /nfs/dbraw/zinc/02/64/94/323026494.db2.gz JWELKUJTGUEWNE-XJFOESAGSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000562664965 323026453 /nfs/dbraw/zinc/02/64/53/323026453.db2.gz JWELKUJTGUEWNE-ZOBORPQBSA-N 1 0 241.419 3.747 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000562667146 323027013 /nfs/dbraw/zinc/02/70/13/323027013.db2.gz NQWMIQNCFDAQCQ-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000562667147 323026927 /nfs/dbraw/zinc/02/69/27/323026927.db2.gz NQWMIQNCFDAQCQ-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO C1=C(CC[NH+]2C3CCC2CC3)CCCC1 ZINC000562686333 323027668 /nfs/dbraw/zinc/02/76/68/323027668.db2.gz RUZMTZPMIWZTMI-UHFFFAOYSA-N 1 0 205.345 3.504 20 0 BHADRO FC1(F)CC[C@@H](C[N@H+](C2CC2)C2CCCC2)C1 ZINC000562697685 323028132 /nfs/dbraw/zinc/02/81/32/323028132.db2.gz RKNHMILRTIMCNP-LLVKDONJSA-N 1 0 243.341 3.829 20 0 BHADRO FC1(F)CC[C@H](C[N@H+](C2CC2)C2CCCC2)C1 ZINC000562697686 323028317 /nfs/dbraw/zinc/02/83/17/323028317.db2.gz RKNHMILRTIMCNP-NSHDSACASA-N 1 0 243.341 3.829 20 0 BHADRO Cc1ccc2ncc(C[N@H+]3[C@H](C)C[C@@H]3C)cc2c1 ZINC000562702656 323028735 /nfs/dbraw/zinc/02/87/35/323028735.db2.gz MNTNXDRMKRQLLD-BETUJISGSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1ccc2ncc(C[NH+]3[C@H](C)C[C@H]3C)cc2c1 ZINC000562702658 323028695 /nfs/dbraw/zinc/02/86/95/323028695.db2.gz MNTNXDRMKRQLLD-CHWSQXEVSA-N 1 0 240.350 3.526 20 0 BHADRO Cc1ccc2ncc(C[NH+]3[C@@H](C)C[C@@H]3C)cc2c1 ZINC000562702659 323028724 /nfs/dbraw/zinc/02/87/24/323028724.db2.gz MNTNXDRMKRQLLD-STQMWFEESA-N 1 0 240.350 3.526 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc3ccccc32)[C@@H]1C ZINC000562771525 323030174 /nfs/dbraw/zinc/03/01/74/323030174.db2.gz PEJYJYPMSDXBHM-CHWSQXEVSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccc3ccccc32)[C@H]1C ZINC000562771530 323030238 /nfs/dbraw/zinc/03/02/38/323030238.db2.gz PEJYJYPMSDXBHM-OLZOCXBDSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc2ccccc21 ZINC000562771531 323030224 /nfs/dbraw/zinc/03/02/24/323030224.db2.gz PEJYJYPMSDXBHM-QWHCGFSZSA-N 1 0 225.335 3.680 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccc3ccccc32)[C@H]1C ZINC000562771532 323030191 /nfs/dbraw/zinc/03/01/91/323030191.db2.gz PEJYJYPMSDXBHM-STQMWFEESA-N 1 0 225.335 3.680 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000562779163 323030392 /nfs/dbraw/zinc/03/03/92/323030392.db2.gz PAGKSIHBEBJAJP-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000562779164 323030494 /nfs/dbraw/zinc/03/04/94/323030494.db2.gz PAGKSIHBEBJAJP-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000562779165 323030415 /nfs/dbraw/zinc/03/04/15/323030415.db2.gz PAGKSIHBEBJAJP-MELADBBJSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000562779166 323030535 /nfs/dbraw/zinc/03/05/35/323030535.db2.gz PAGKSIHBEBJAJP-MJBXVCDLSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000562779791 323030360 /nfs/dbraw/zinc/03/03/60/323030360.db2.gz TXUJPJATCRXEOC-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000562779792 323030324 /nfs/dbraw/zinc/03/03/24/323030324.db2.gz TXUJPJATCRXEOC-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000562779793 323030387 /nfs/dbraw/zinc/03/03/87/323030387.db2.gz TXUJPJATCRXEOC-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000562779794 323030292 /nfs/dbraw/zinc/03/02/92/323030292.db2.gz TXUJPJATCRXEOC-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO FC(F)c1ccc(C[NH2+]C[C@H]2CC23CC3)cc1 ZINC000562812565 323031379 /nfs/dbraw/zinc/03/13/79/323031379.db2.gz JFSWCKXAMYHXHO-GFCCVEGCSA-N 1 0 237.293 3.514 20 0 BHADRO FC(F)c1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000562812566 323031326 /nfs/dbraw/zinc/03/13/26/323031326.db2.gz JFSWCKXAMYHXHO-LBPRGKRZSA-N 1 0 237.293 3.514 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562847284 345534602 /nfs/dbraw/zinc/53/46/02/345534602.db2.gz IENXNWMIXJUFEY-AWEZNQCLSA-N 1 0 247.357 3.636 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000562847288 345534295 /nfs/dbraw/zinc/53/42/95/345534295.db2.gz IENXNWMIXJUFEY-CQSZACIVSA-N 1 0 247.357 3.636 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000562847877 323032141 /nfs/dbraw/zinc/03/21/41/323032141.db2.gz RSFUUESJAARJNJ-HNNXBMFYSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000562847878 323032098 /nfs/dbraw/zinc/03/20/98/323032098.db2.gz RSFUUESJAARJNJ-OAHLLOKOSA-N 1 0 243.394 3.570 20 0 BHADRO CC[N@H+](C[C@@H]1CC=CCC1)C1CCCC1 ZINC000562849294 323032066 /nfs/dbraw/zinc/03/20/66/323032066.db2.gz PBYAGDPLVPCDRW-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CC[N@H+](C[C@H]1CC=CCC1)C1CCCC1 ZINC000562849295 323032101 /nfs/dbraw/zinc/03/21/01/323032101.db2.gz PBYAGDPLVPCDRW-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC000562854517 323032269 /nfs/dbraw/zinc/03/22/69/323032269.db2.gz ZNTFUKKKBPZUCS-AEGPPILISA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC000562854518 323032201 /nfs/dbraw/zinc/03/22/01/323032201.db2.gz ZNTFUKKKBPZUCS-QEJZJMRPSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC000562854519 323032216 /nfs/dbraw/zinc/03/22/16/323032216.db2.gz ZNTFUKKKBPZUCS-SNPRPXQTSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000562854520 323032246 /nfs/dbraw/zinc/03/22/46/323032246.db2.gz ZNTFUKKKBPZUCS-VHDGCEQUSA-N 1 0 246.398 3.867 20 0 BHADRO CC(C)(C)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000562854881 323032206 /nfs/dbraw/zinc/03/22/06/323032206.db2.gz PSPVDXJUOXEODN-GFCCVEGCSA-N 1 0 235.346 3.661 20 0 BHADRO CC(C)(C)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000562854882 323032302 /nfs/dbraw/zinc/03/23/02/323032302.db2.gz PSPVDXJUOXEODN-LBPRGKRZSA-N 1 0 235.346 3.661 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]1C ZINC000562880203 323032724 /nfs/dbraw/zinc/03/27/24/323032724.db2.gz MHFMIOOKJFLGIK-FESBJMALSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]1C ZINC000562880204 323032769 /nfs/dbraw/zinc/03/27/69/323032769.db2.gz MHFMIOOKJFLGIK-GQYKCQBRSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]1C ZINC000562880205 323032709 /nfs/dbraw/zinc/03/27/09/323032709.db2.gz MHFMIOOKJFLGIK-PSEORLGDSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]1C ZINC000562880206 323032722 /nfs/dbraw/zinc/03/27/22/323032722.db2.gz MHFMIOOKJFLGIK-SGCDDIOWSA-N 1 0 249.320 3.742 20 0 BHADRO Cc1cc(C[NH+]2CC(C3CCC3)C2)c(C)s1 ZINC000562902929 323033118 /nfs/dbraw/zinc/03/31/18/323033118.db2.gz YOFNRLFJNCMHIA-UHFFFAOYSA-N 1 0 235.396 3.597 20 0 BHADRO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000562908204 323033362 /nfs/dbraw/zinc/03/33/62/323033362.db2.gz SFWCRDQUKOTKQZ-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO c1cc(C[NH+]2C3CCC2CC3)cc(C2CC2)c1 ZINC000562938524 323034279 /nfs/dbraw/zinc/03/42/79/323034279.db2.gz NOOZNDDQXQZNIG-UHFFFAOYSA-N 1 0 227.351 3.691 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000562968935 323075223 /nfs/dbraw/zinc/07/52/23/323075223.db2.gz CBKOGGLLAPMHCY-KBPBESRZSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000562968936 323075213 /nfs/dbraw/zinc/07/52/13/323075213.db2.gz CBKOGGLLAPMHCY-KGLIPLIRSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000562968937 323075216 /nfs/dbraw/zinc/07/52/16/323075216.db2.gz CBKOGGLLAPMHCY-UONOGXRCSA-N 1 0 247.769 3.860 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000562968938 323075219 /nfs/dbraw/zinc/07/52/19/323075219.db2.gz CBKOGGLLAPMHCY-ZIAGYGMSSA-N 1 0 247.769 3.860 20 0 BHADRO C[NH2+]CCS[C@H](C)c1cccc2ccccc21 ZINC000563078464 323087430 /nfs/dbraw/zinc/08/74/30/323087430.db2.gz ATERHNIWPBMAHJ-GFCCVEGCSA-N 1 0 245.391 3.853 20 0 BHADRO C[NH2+]CCS[C@@H](C)c1cccc2ccccc21 ZINC000563078465 323087427 /nfs/dbraw/zinc/08/74/27/323087427.db2.gz ATERHNIWPBMAHJ-LBPRGKRZSA-N 1 0 245.391 3.853 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)C(C)(C)C ZINC000563081098 323088272 /nfs/dbraw/zinc/08/82/72/323088272.db2.gz LEOCIOKMZVSAQN-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO C[N@H+](Cc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000563081118 323088336 /nfs/dbraw/zinc/08/83/36/323088336.db2.gz LQLOURAMBSBRNX-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO Cc1ccc2ncc(C[N@@H+](C)C(C)(C)C)cc2c1 ZINC000563082312 323089200 /nfs/dbraw/zinc/08/92/00/323089200.db2.gz ZLGJIGJMUQWPCA-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1cnccn1 ZINC000563090604 323091647 /nfs/dbraw/zinc/09/16/47/323091647.db2.gz XWGYGNGKFLPALH-UHFFFAOYSA-N 1 0 249.402 3.659 20 0 BHADRO c1csc(CCC[NH2+]C2CC3(CCC3)C2)c1 ZINC000563111461 323093027 /nfs/dbraw/zinc/09/30/27/323093027.db2.gz IDIHPPMTLMDJAE-UHFFFAOYSA-N 1 0 235.396 3.603 20 0 BHADRO FCC1([NH2+]Cc2ccc(C(F)F)cc2)CCC1 ZINC000563121570 323093547 /nfs/dbraw/zinc/09/35/47/323093547.db2.gz NRFNOCJTDDPJPD-UHFFFAOYSA-N 1 0 243.272 3.606 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000563121897 323093517 /nfs/dbraw/zinc/09/35/17/323093517.db2.gz IFCZATRLRZMLDX-BDAKNGLRSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000563121899 323093529 /nfs/dbraw/zinc/09/35/29/323093529.db2.gz IFCZATRLRZMLDX-DTWKUNHWSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000563121900 323093549 /nfs/dbraw/zinc/09/35/49/323093549.db2.gz IFCZATRLRZMLDX-IUCAKERBSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000563121902 323093574 /nfs/dbraw/zinc/09/35/74/323093574.db2.gz IFCZATRLRZMLDX-RKDXNWHRSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000563122036 323093607 /nfs/dbraw/zinc/09/36/07/323093607.db2.gz JTBGEDFDVCEMKV-CHWSQXEVSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000563122041 323093533 /nfs/dbraw/zinc/09/35/33/323093533.db2.gz JTBGEDFDVCEMKV-OLZOCXBDSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000563122043 323093620 /nfs/dbraw/zinc/09/36/20/323093620.db2.gz JTBGEDFDVCEMKV-QWHCGFSZSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000563122044 323093591 /nfs/dbraw/zinc/09/35/91/323093591.db2.gz JTBGEDFDVCEMKV-STQMWFEESA-N 1 0 246.329 3.538 20 0 BHADRO FCC1([NH2+]Cc2csc3ccccc23)CCC1 ZINC000563122260 323093653 /nfs/dbraw/zinc/09/36/53/323093653.db2.gz LWFNJHNMXLZPJI-UHFFFAOYSA-N 1 0 249.354 3.883 20 0 BHADRO FCC1([NH2+]C2CC3(C2)CCCCC3)CCC1 ZINC000563157343 323096453 /nfs/dbraw/zinc/09/64/53/323096453.db2.gz GVRAKXQFYLCAME-UHFFFAOYSA-N 1 0 225.351 3.581 20 0 BHADRO C[N@H+](Cc1cc2cc(F)ccc2o1)C(C)(C)C ZINC000563157596 323096505 /nfs/dbraw/zinc/09/65/05/323096505.db2.gz IBXIUGXVMSARPG-UHFFFAOYSA-N 1 0 235.302 3.802 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC1(COC)CC1 ZINC000563157710 323096617 /nfs/dbraw/zinc/09/66/17/323096617.db2.gz JWJJWQHTBPAVEI-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]C1(CF)CCC1 ZINC000563158205 323096576 /nfs/dbraw/zinc/09/65/76/323096576.db2.gz NVDXALPQUHIMPX-UHFFFAOYSA-N 1 0 247.313 3.723 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000563158812 323096919 /nfs/dbraw/zinc/09/69/19/323096919.db2.gz VSPHNWQKZYVUMQ-KBPBESRZSA-N 1 0 217.356 3.520 20 0 BHADRO C[N@H+](C[C@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000563158814 323096921 /nfs/dbraw/zinc/09/69/21/323096921.db2.gz VSPHNWQKZYVUMQ-KGLIPLIRSA-N 1 0 217.356 3.520 20 0 BHADRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C ZINC000563158816 323096901 /nfs/dbraw/zinc/09/69/01/323096901.db2.gz VSPHNWQKZYVUMQ-UONOGXRCSA-N 1 0 217.356 3.520 20 0 BHADRO C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C ZINC000563158818 323096904 /nfs/dbraw/zinc/09/69/04/323096904.db2.gz VSPHNWQKZYVUMQ-ZIAGYGMSSA-N 1 0 217.356 3.520 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCOC2CCC2)c1 ZINC000563230261 323105448 /nfs/dbraw/zinc/10/54/48/323105448.db2.gz VVMLNIPKBFGDDT-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCOC2CCC2)c1 ZINC000563230271 323105427 /nfs/dbraw/zinc/10/54/27/323105427.db2.gz VVMLNIPKBFGDDT-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO FC(F)(F)C1(C[NH2+]CCC2CCCCC2)CC1 ZINC000563249013 323106731 /nfs/dbraw/zinc/10/67/31/323106731.db2.gz KQSHVFBVBKZNIG-UHFFFAOYSA-N 1 0 249.320 3.889 20 0 BHADRO CCC[N@H+](CC)C/C=C/c1ccc(F)c(F)c1 ZINC000563256849 323106953 /nfs/dbraw/zinc/10/69/53/323106953.db2.gz XNBUOGGIAYYOJP-AATRIKPKSA-N 1 0 239.309 3.710 20 0 BHADRO CCC[N@H+](CC)C/C=C\c1ccc(F)c(F)c1 ZINC000563256850 323106940 /nfs/dbraw/zinc/10/69/40/323106940.db2.gz XNBUOGGIAYYOJP-WAYWQWQTSA-N 1 0 239.309 3.710 20 0 BHADRO CCc1cccc(C[NH2+]Cc2cscc2C)c1 ZINC000563257795 323107043 /nfs/dbraw/zinc/10/70/43/323107043.db2.gz NSRLAFHBWVOKMH-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)C(C)(C)C ZINC000563263097 323107119 /nfs/dbraw/zinc/10/71/19/323107119.db2.gz VSDFNDRGOVZENY-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccncc1 ZINC000563267091 323107108 /nfs/dbraw/zinc/10/71/08/323107108.db2.gz BSPBTYZXHOBPIQ-DGCLKSJQSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)C)c1ccncc1 ZINC000563267092 323107105 /nfs/dbraw/zinc/10/71/05/323107105.db2.gz BSPBTYZXHOBPIQ-YPMHNXCESA-N 1 0 220.360 3.557 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000563305660 323109078 /nfs/dbraw/zinc/10/90/78/323109078.db2.gz NTPRDAKIWUWQDN-NEPJUHHUSA-N 1 0 233.346 3.646 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000563305666 323109091 /nfs/dbraw/zinc/10/90/91/323109091.db2.gz NTPRDAKIWUWQDN-NWDGAFQWSA-N 1 0 233.346 3.646 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000563305667 323109089 /nfs/dbraw/zinc/10/90/89/323109089.db2.gz NTPRDAKIWUWQDN-RYUDHWBXSA-N 1 0 233.346 3.646 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000563305668 323109063 /nfs/dbraw/zinc/10/90/63/323109063.db2.gz NTPRDAKIWUWQDN-VXGBXAGGSA-N 1 0 233.346 3.646 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c(C)c1 ZINC000563343021 323119232 /nfs/dbraw/zinc/11/92/32/323119232.db2.gz NFUSVPHULBSCTM-GFCCVEGCSA-N 1 0 245.366 3.597 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)c(C)c1 ZINC000563343022 323119272 /nfs/dbraw/zinc/11/92/72/323119272.db2.gz NFUSVPHULBSCTM-LBPRGKRZSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1nsc(C)c1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000563354105 323120365 /nfs/dbraw/zinc/12/03/65/323120365.db2.gz HEZXGKXQTGOCLY-LLVKDONJSA-N 1 0 240.416 3.626 20 0 BHADRO Cc1nsc(C)c1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000563354117 323120297 /nfs/dbraw/zinc/12/02/97/323120297.db2.gz HEZXGKXQTGOCLY-NSHDSACASA-N 1 0 240.416 3.626 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c(C)nsc1C ZINC000563354284 323120309 /nfs/dbraw/zinc/12/03/09/323120309.db2.gz QMJLIEHQWFIRDU-BXKDBHETSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c(C)nsc1C ZINC000563354285 323120273 /nfs/dbraw/zinc/12/02/73/323120273.db2.gz QMJLIEHQWFIRDU-CABZTGNLSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(C)nsc1C ZINC000563354287 323120318 /nfs/dbraw/zinc/12/03/18/323120318.db2.gz QMJLIEHQWFIRDU-JOYOIKCWSA-N 1 0 238.400 3.523 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c(C)nsc1C ZINC000563354289 323120341 /nfs/dbraw/zinc/12/03/41/323120341.db2.gz QMJLIEHQWFIRDU-SKDRFNHKSA-N 1 0 238.400 3.523 20 0 BHADRO CCC[N@H+](Cc1ncc(C(C)(C)C)o1)C(C)C ZINC000563365361 323121280 /nfs/dbraw/zinc/12/12/80/323121280.db2.gz CQOGFRHVXWOYCY-UHFFFAOYSA-N 1 0 238.375 3.593 20 0 BHADRO CC[N@H+](Cc1c(C)nsc1C)CC(C)(C)C ZINC000563365576 323121348 /nfs/dbraw/zinc/12/13/48/323121348.db2.gz UWVYCJMGTGSPLX-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)CC(C)C)C2)c1 ZINC000563366186 323121181 /nfs/dbraw/zinc/12/11/81/323121181.db2.gz PHNHBYIJJYSWSI-CABCVRRESA-N 1 0 246.398 3.614 20 0 BHADRO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)CC(C)C)C2)c1 ZINC000563366199 323121193 /nfs/dbraw/zinc/12/11/93/323121193.db2.gz PHNHBYIJJYSWSI-GJZGRUSLSA-N 1 0 246.398 3.614 20 0 BHADRO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)CC(C)C)C2)c1 ZINC000563366201 323121158 /nfs/dbraw/zinc/12/11/58/323121158.db2.gz PHNHBYIJJYSWSI-HUUCEWRRSA-N 1 0 246.398 3.614 20 0 BHADRO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)CC(C)C)C2)c1 ZINC000563366204 323121334 /nfs/dbraw/zinc/12/13/34/323121334.db2.gz PHNHBYIJJYSWSI-LSDHHAIUSA-N 1 0 246.398 3.614 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000563414846 323123425 /nfs/dbraw/zinc/12/34/25/323123425.db2.gz GGBLXLCJVNOSQN-BYCMXARLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000563414939 323123341 /nfs/dbraw/zinc/12/33/41/323123341.db2.gz GGBLXLCJVNOSQN-DFBGVHRSSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000563414943 323123360 /nfs/dbraw/zinc/12/33/60/323123360.db2.gz GGBLXLCJVNOSQN-KCPJHIHWSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000563414945 323123409 /nfs/dbraw/zinc/12/34/09/323123409.db2.gz GGBLXLCJVNOSQN-UGFHNGPFSA-N 1 0 249.423 3.847 20 0 BHADRO Cc1cc(OCCCCCF)c(C)c(C)[nH+]1 ZINC000563415294 323123450 /nfs/dbraw/zinc/12/34/50/323123450.db2.gz CPEGAXKYZDIQNY-UHFFFAOYSA-N 1 0 225.307 3.525 20 0 BHADRO Fc1cccc(C2([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000563415433 323123429 /nfs/dbraw/zinc/12/34/29/323123429.db2.gz ZXMSJEGHMDONTJ-GLQYFDAESA-N 1 0 245.341 3.593 20 0 BHADRO Fc1cccc(C2([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000563415435 323123453 /nfs/dbraw/zinc/12/34/53/323123453.db2.gz ZXMSJEGHMDONTJ-NILFDRSVSA-N 1 0 245.341 3.593 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1noc2ccccc12 ZINC000563416041 323123554 /nfs/dbraw/zinc/12/35/54/323123554.db2.gz FXIVUBPQEOJGMC-GFCCVEGCSA-N 1 0 246.354 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1noc2ccccc12 ZINC000563416469 323123464 /nfs/dbraw/zinc/12/34/64/323123464.db2.gz FXIVUBPQEOJGMC-LBPRGKRZSA-N 1 0 246.354 3.742 20 0 BHADRO CCC[N@H+](Cc1ccsc1C)C(C)C ZINC000563429358 323125029 /nfs/dbraw/zinc/12/50/29/323125029.db2.gz WWJFBVWHYFQANS-UHFFFAOYSA-N 1 0 211.374 3.677 20 0 BHADRO CCC[N@H+](Cc1cnc(C(C)C)s1)C(C)C ZINC000563429502 323125038 /nfs/dbraw/zinc/12/50/38/323125038.db2.gz ZXVDAVYQBIYTPY-UHFFFAOYSA-N 1 0 240.416 3.887 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000563442265 323126646 /nfs/dbraw/zinc/12/66/46/323126646.db2.gz HMSDZWZXPJDDQO-BZUAXINKSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+][C@H]2CCCC23CC3)cc1 ZINC000563442270 323126780 /nfs/dbraw/zinc/12/67/80/323126780.db2.gz HMSDZWZXPJDDQO-OAGGEKHMSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000563442271 323126754 /nfs/dbraw/zinc/12/67/54/323126754.db2.gz HMSDZWZXPJDDQO-OWCLPIDISA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2CCCC23CC3)cc1 ZINC000563442272 323126769 /nfs/dbraw/zinc/12/67/69/323126769.db2.gz HMSDZWZXPJDDQO-PMPSAXMXSA-N 1 0 241.378 3.540 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000563442480 323126810 /nfs/dbraw/zinc/12/68/10/323126810.db2.gz JZUMSMPSIPRZHE-DABQJJPHSA-N 1 0 235.758 3.537 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000563442481 323126867 /nfs/dbraw/zinc/12/68/67/323126867.db2.gz JZUMSMPSIPRZHE-IMRBUKKESA-N 1 0 235.758 3.537 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCCC23CC3)s1 ZINC000563443415 323126891 /nfs/dbraw/zinc/12/68/91/323126891.db2.gz TVUUBBRVFSBTKX-CYBMUJFWSA-N 1 0 235.396 3.733 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCCC23CC3)s1 ZINC000563443417 323126807 /nfs/dbraw/zinc/12/68/07/323126807.db2.gz TVUUBBRVFSBTKX-ZDUSSCGKSA-N 1 0 235.396 3.733 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000563462244 323127343 /nfs/dbraw/zinc/12/73/43/323127343.db2.gz IXEPKNWKQQJEPS-CHWSQXEVSA-N 1 0 248.370 3.573 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000563462245 323127338 /nfs/dbraw/zinc/12/73/38/323127338.db2.gz IXEPKNWKQQJEPS-OLZOCXBDSA-N 1 0 248.370 3.573 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000563462246 323127405 /nfs/dbraw/zinc/12/74/05/323127405.db2.gz IXEPKNWKQQJEPS-QWHCGFSZSA-N 1 0 248.370 3.573 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000563462247 323127389 /nfs/dbraw/zinc/12/73/89/323127389.db2.gz IXEPKNWKQQJEPS-STQMWFEESA-N 1 0 248.370 3.573 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1cccc(O)c1 ZINC000563487241 323127801 /nfs/dbraw/zinc/12/78/01/323127801.db2.gz DGINGTGNBRPCGF-CYBMUJFWSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000563501873 323128372 /nfs/dbraw/zinc/12/83/72/323128372.db2.gz OQTMUCCZFJWHNB-JTQLQIEISA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000563501874 323128508 /nfs/dbraw/zinc/12/85/08/323128508.db2.gz OQTMUCCZFJWHNB-SNVBAGLBSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000563575822 323130546 /nfs/dbraw/zinc/13/05/46/323130546.db2.gz PYLZOFXBZAHSDJ-INIZCTEOSA-N 1 0 241.378 3.760 20 0 BHADRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000563575823 323130491 /nfs/dbraw/zinc/13/04/91/323130491.db2.gz PYLZOFXBZAHSDJ-MRXNPFEDSA-N 1 0 241.378 3.760 20 0 BHADRO CC1(C[NH2+]CCc2cccc3ccccc32)CC1 ZINC000563583568 323130449 /nfs/dbraw/zinc/13/04/49/323130449.db2.gz HYPAQIMZYDIEGS-UHFFFAOYSA-N 1 0 239.362 3.772 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000563590050 323130737 /nfs/dbraw/zinc/13/07/37/323130737.db2.gz YZOOMWJQEXLNNZ-MQMHXKEQSA-N 1 0 249.785 3.976 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000563630173 323132680 /nfs/dbraw/zinc/13/26/80/323132680.db2.gz KQIONESEEFNVEV-AGIUHOORSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000563630186 323132595 /nfs/dbraw/zinc/13/25/95/323132595.db2.gz KQIONESEEFNVEV-UPJWGTAASA-N 1 0 247.382 3.638 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC12CC2 ZINC000563638556 323133242 /nfs/dbraw/zinc/13/32/42/323133242.db2.gz UATXUYYKDPDVBG-HNNXBMFYSA-N 1 0 247.357 3.599 20 0 BHADRO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC12CC2 ZINC000563638564 323133296 /nfs/dbraw/zinc/13/32/96/323133296.db2.gz UATXUYYKDPDVBG-OAHLLOKOSA-N 1 0 247.357 3.599 20 0 BHADRO CC[C@@H](C)CSCC[C@H]1CCCC[N@@H+]1C ZINC000563672955 323134424 /nfs/dbraw/zinc/13/44/24/323134424.db2.gz FNYFYFUABQHASQ-CHWSQXEVSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](C)CSCC[C@@H]1CCCC[N@@H+]1C ZINC000563672966 323134403 /nfs/dbraw/zinc/13/44/03/323134403.db2.gz FNYFYFUABQHASQ-OLZOCXBDSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](C)CSCC[C@H]1CCCC[N@@H+]1C ZINC000563672967 323134495 /nfs/dbraw/zinc/13/44/95/323134495.db2.gz FNYFYFUABQHASQ-QWHCGFSZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H](C)CSCC[C@@H]1CCCC[N@@H+]1C ZINC000563672968 323134488 /nfs/dbraw/zinc/13/44/88/323134488.db2.gz FNYFYFUABQHASQ-STQMWFEESA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3CCC[C@H]3F)C2)cc1 ZINC000563673187 323134443 /nfs/dbraw/zinc/13/44/43/323134443.db2.gz KVNUXJIBCFFBEN-FJBKBRRZSA-N 1 0 247.357 3.721 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000563674329 323134464 /nfs/dbraw/zinc/13/44/64/323134464.db2.gz PXXVEHITFONQGD-GDBMZVCRSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000563674332 323134430 /nfs/dbraw/zinc/13/44/30/323134430.db2.gz PXXVEHITFONQGD-GOEBONIOSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000563674333 323134422 /nfs/dbraw/zinc/13/44/22/323134422.db2.gz PXXVEHITFONQGD-HOCLYGCPSA-N 1 0 245.341 3.901 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000563674334 323134427 /nfs/dbraw/zinc/13/44/27/323134427.db2.gz PXXVEHITFONQGD-ZBFHGGJFSA-N 1 0 245.341 3.901 20 0 BHADRO CCc1cnc(C[NH2+][C@@H](C)C(C)(C)CC)s1 ZINC000563682190 323167823 /nfs/dbraw/zinc/16/78/23/323167823.db2.gz ZTORXNPWOFKMRH-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1cnc(C[NH2+][C@H](C)C(C)(C)CC)s1 ZINC000563682192 323167836 /nfs/dbraw/zinc/16/78/36/323167836.db2.gz ZTORXNPWOFKMRH-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000563699242 323174182 /nfs/dbraw/zinc/17/41/82/323174182.db2.gz VHGRALCBWTYMAN-FMKPAKJESA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000563699251 323174178 /nfs/dbraw/zinc/17/41/78/323174178.db2.gz VHGRALCBWTYMAN-IIAWOOMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000563699257 323174190 /nfs/dbraw/zinc/17/41/90/323174190.db2.gz VHGRALCBWTYMAN-LZWOXQAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000563699258 323174181 /nfs/dbraw/zinc/17/41/81/323174181.db2.gz VHGRALCBWTYMAN-SQWLQELKSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000563709627 323174827 /nfs/dbraw/zinc/17/48/27/323174827.db2.gz OJCHOXWLTRKUCF-HNNXBMFYSA-N 1 0 249.398 3.822 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000563709633 323174829 /nfs/dbraw/zinc/17/48/29/323174829.db2.gz OJCHOXWLTRKUCF-OAHLLOKOSA-N 1 0 249.398 3.822 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000563738455 323176472 /nfs/dbraw/zinc/17/64/72/323176472.db2.gz HVBHDCGARVMJQO-SRVKXCTJSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000563738456 323176463 /nfs/dbraw/zinc/17/64/63/323176463.db2.gz HVBHDCGARVMJQO-TUAOUCFPSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000563738457 323176481 /nfs/dbraw/zinc/17/64/81/323176481.db2.gz HVBHDCGARVMJQO-UTUOFQBUSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000563738458 323176537 /nfs/dbraw/zinc/17/65/37/323176537.db2.gz HVBHDCGARVMJQO-WOPDTQHZSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccccc1C ZINC000563738499 323176544 /nfs/dbraw/zinc/17/65/44/323176544.db2.gz IQAVCYGCECRODR-FMKPAKJESA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccccc1C ZINC000563738504 323176548 /nfs/dbraw/zinc/17/65/48/323176548.db2.gz IQAVCYGCECRODR-IIAWOOMASA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1C ZINC000563738505 323176541 /nfs/dbraw/zinc/17/65/41/323176541.db2.gz IQAVCYGCECRODR-LZWOXQAQSA-N 1 0 231.383 3.704 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cc1ccccc1C ZINC000563738507 323176569 /nfs/dbraw/zinc/17/65/69/323176569.db2.gz IQAVCYGCECRODR-SQWLQELKSA-N 1 0 231.383 3.704 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000563739734 323176579 /nfs/dbraw/zinc/17/65/79/323176579.db2.gz QCABJWWXCOJJTC-DRZSPHRISA-N 1 0 239.309 3.608 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000563739755 323176530 /nfs/dbraw/zinc/17/65/30/323176530.db2.gz QCABJWWXCOJJTC-WXHSDQCUSA-N 1 0 239.309 3.608 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)CC(C)C ZINC000563754592 323176989 /nfs/dbraw/zinc/17/69/89/323176989.db2.gz HNRMTUNDCYADOX-AWEZNQCLSA-N 1 0 248.414 3.692 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)CC(C)C ZINC000563754611 323176901 /nfs/dbraw/zinc/17/69/01/323176901.db2.gz HNRMTUNDCYADOX-CQSZACIVSA-N 1 0 248.414 3.692 20 0 BHADRO C[C@@H]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)C1 ZINC000563754731 323176978 /nfs/dbraw/zinc/17/69/78/323176978.db2.gz JQLILANASHFZGG-CXAGYDPISA-N 1 0 243.394 3.522 20 0 BHADRO C[C@@H]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)C1 ZINC000563754750 323176963 /nfs/dbraw/zinc/17/69/63/323176963.db2.gz JQLILANASHFZGG-DYVFJYSZSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@H]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)C1 ZINC000563754751 323176880 /nfs/dbraw/zinc/17/68/80/323176880.db2.gz JQLILANASHFZGG-GUYCJALGSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@H]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)C1 ZINC000563754752 323176859 /nfs/dbraw/zinc/17/68/59/323176859.db2.gz JQLILANASHFZGG-SUMWQHHRSA-N 1 0 243.394 3.522 20 0 BHADRO CSC1(C[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000563778089 323177409 /nfs/dbraw/zinc/17/74/09/323177409.db2.gz OLSLSLJBWQACDR-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC2(C)C)cc1Cl ZINC000563780518 323177595 /nfs/dbraw/zinc/17/75/95/323177595.db2.gz XKSDQONZEIEJSM-UHFFFAOYSA-N 1 0 223.747 3.633 20 0 BHADRO C[N@H+](Cc1sccc1Cl)C(C)(C)C ZINC000563808056 323178528 /nfs/dbraw/zinc/17/85/28/323178528.db2.gz ALOQOCCGKKXXRY-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1ccno1 ZINC000563811182 323178544 /nfs/dbraw/zinc/17/85/44/323178544.db2.gz UHKXWVRSIKFSKD-CYBMUJFWSA-N 1 0 236.359 3.537 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1ccno1 ZINC000563811183 323178604 /nfs/dbraw/zinc/17/86/04/323178604.db2.gz UHKXWVRSIKFSKD-ZDUSSCGKSA-N 1 0 236.359 3.537 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CC1(C)CC1 ZINC000563819808 323179213 /nfs/dbraw/zinc/17/92/13/323179213.db2.gz XHPSOPYGYIDYQV-AWEZNQCLSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1CC1(C)CC1 ZINC000563819809 323179142 /nfs/dbraw/zinc/17/91/42/323179142.db2.gz XHPSOPYGYIDYQV-CQSZACIVSA-N 1 0 245.366 3.632 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@H](OC)c1ccccc1 ZINC000563835765 323180180 /nfs/dbraw/zinc/18/01/80/323180180.db2.gz OJPDHHINWZSAPD-INIZCTEOSA-N 1 0 249.398 3.885 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@@H](OC)c1ccccc1 ZINC000563835774 323180193 /nfs/dbraw/zinc/18/01/93/323180193.db2.gz OJPDHHINWZSAPD-MRXNPFEDSA-N 1 0 249.398 3.885 20 0 BHADRO COc1cccc2c1CCC[C@@H]2[NH2+]CC(C)(C)C ZINC000563856943 323181048 /nfs/dbraw/zinc/18/10/48/323181048.db2.gz KFJWHEXTXKGZLY-AWEZNQCLSA-N 1 0 247.382 3.708 20 0 BHADRO COc1cccc2c1CCC[C@H]2[NH2+]CC(C)(C)C ZINC000563856944 323181028 /nfs/dbraw/zinc/18/10/28/323181028.db2.gz KFJWHEXTXKGZLY-CQSZACIVSA-N 1 0 247.382 3.708 20 0 BHADRO COC1(CC[N@H+](C)C2CCCCCC2)CCC1 ZINC000563900944 323222114 /nfs/dbraw/zinc/22/21/14/323222114.db2.gz NALOYMJIIMQEMK-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CSC1(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)CCC1 ZINC000563922904 323321836 /nfs/dbraw/zinc/32/18/36/323321836.db2.gz SHNYFKOXKDZEJQ-GFCCVEGCSA-N 1 0 241.444 3.640 20 0 BHADRO CSC1(C[N@@H+]2CC[C@H](C(C)(C)C)C2)CCC1 ZINC000563922906 323321819 /nfs/dbraw/zinc/32/18/19/323321819.db2.gz SHNYFKOXKDZEJQ-LBPRGKRZSA-N 1 0 241.444 3.640 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000563944173 323329000 /nfs/dbraw/zinc/32/90/00/323329000.db2.gz WWSFETUPDKTQQK-CRWXNKLISA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000563944176 323328925 /nfs/dbraw/zinc/32/89/25/323328925.db2.gz WWSFETUPDKTQQK-JHJVBQTASA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000563944177 323329389 /nfs/dbraw/zinc/32/93/89/323329389.db2.gz WWSFETUPDKTQQK-UPJWGTAASA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000563944179 323329525 /nfs/dbraw/zinc/32/95/25/323329525.db2.gz WWSFETUPDKTQQK-XJFOESAGSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(C)(C)C ZINC000563965779 323334557 /nfs/dbraw/zinc/33/45/57/323334557.db2.gz BZPDDOAPYFUYBG-KGYLQXTDSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(C)(C)C ZINC000563965780 323334086 /nfs/dbraw/zinc/33/40/86/323334086.db2.gz BZPDDOAPYFUYBG-RAIGVLPGSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(C)(C)C ZINC000563965781 323334390 /nfs/dbraw/zinc/33/43/90/323334390.db2.gz BZPDDOAPYFUYBG-RTXFEEFZSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(C)(C)C ZINC000563965782 323335653 /nfs/dbraw/zinc/33/56/53/323335653.db2.gz BZPDDOAPYFUYBG-WXHSDQCUSA-N 1 0 209.377 3.589 20 0 BHADRO Clc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000564024337 387802503 /nfs/dbraw/zinc/80/25/03/387802503.db2.gz XXQYDOFIJVWRFM-UHFFFAOYSA-N 1 0 249.785 3.962 20 0 BHADRO CC(C)(C)c1ccc(CC[NH2+]C2CCC2)cc1 ZINC000564074383 323424217 /nfs/dbraw/zinc/42/42/17/323424217.db2.gz BIZHYGWUAZWIGE-UHFFFAOYSA-N 1 0 231.383 3.669 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c(C)o1 ZINC000564084267 323427397 /nfs/dbraw/zinc/42/73/97/323427397.db2.gz LJHVHKCWWFOOBW-CYZMBNFOSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c(C)o1 ZINC000564084268 387824542 /nfs/dbraw/zinc/82/45/42/387824542.db2.gz LJHVHKCWWFOOBW-DRZSPHRISA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c(C)o1 ZINC000564084269 387825520 /nfs/dbraw/zinc/82/55/20/387825520.db2.gz LJHVHKCWWFOOBW-UHTWSYAYSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c(C)o1 ZINC000564084270 387824364 /nfs/dbraw/zinc/82/43/64/387824364.db2.gz LJHVHKCWWFOOBW-WCFLWFBJSA-N 1 0 239.334 3.828 20 0 BHADRO FC1(CC[NH2+]C2CC(c3ccccc3)C2)CCC1 ZINC000564091448 323426893 /nfs/dbraw/zinc/42/68/93/323426893.db2.gz QXLNPFDUSNXRGZ-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CC[N@H+](Cc1ccccc1OCC(C)C)C1CC1 ZINC000564106440 387833005 /nfs/dbraw/zinc/83/30/05/387833005.db2.gz YSPRVVFUENMNJR-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCC2(F)CCC2)c1 ZINC000564127560 323445861 /nfs/dbraw/zinc/44/58/61/323445861.db2.gz KCILCUOLVOQHQU-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO CCCC[N@H+](CCOC)C[C@H](C)c1ccccc1 ZINC000564128650 387083571 /nfs/dbraw/zinc/08/35/71/387083571.db2.gz LOMGJKCUDIFBPH-HNNXBMFYSA-N 1 0 249.398 3.539 20 0 BHADRO CCCC[N@H+](CCOC)C[C@@H](C)c1ccccc1 ZINC000564128651 387083392 /nfs/dbraw/zinc/08/33/92/387083392.db2.gz LOMGJKCUDIFBPH-OAHLLOKOSA-N 1 0 249.398 3.539 20 0 BHADRO CCCCC[NH+]1CCC2(CCCC2)CC1 ZINC000564130564 387129561 /nfs/dbraw/zinc/12/95/61/387129561.db2.gz WSEPHEAJOAPYTG-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO C[C@@H]([NH2+]C1CC1)C1(c2ccccc2)CCCC1 ZINC000564141897 323921875 /nfs/dbraw/zinc/92/18/75/323921875.db2.gz AVDLCHJCTYXVJF-CYBMUJFWSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@H]([NH2+]C1CC1)C1(c2ccccc2)CCCC1 ZINC000564141921 323921528 /nfs/dbraw/zinc/92/15/28/323921528.db2.gz AVDLCHJCTYXVJF-ZDUSSCGKSA-N 1 0 229.367 3.639 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000564143732 387129541 /nfs/dbraw/zinc/12/95/41/387129541.db2.gz MGSSBXBVDWUTDS-IIAWOOMASA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000564143733 323922546 /nfs/dbraw/zinc/92/25/46/323922546.db2.gz MGSSBXBVDWUTDS-IJEWVQPXSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000564143734 387129334 /nfs/dbraw/zinc/12/93/34/387129334.db2.gz MGSSBXBVDWUTDS-OFQRWUPVSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000564143735 387129465 /nfs/dbraw/zinc/12/94/65/387129465.db2.gz MGSSBXBVDWUTDS-SQWLQELKSA-N 1 0 249.398 3.524 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C[C@H](C)CO ZINC000564147394 324177273 /nfs/dbraw/zinc/17/72/73/324177273.db2.gz HODXHBZSXQSNDT-AJNGGQMLSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CC)C[C@@H](C)CO ZINC000564147399 324177549 /nfs/dbraw/zinc/17/75/49/324177549.db2.gz HODXHBZSXQSNDT-CBBWQLFWSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C[C@@H](C)CO ZINC000564147400 324177725 /nfs/dbraw/zinc/17/77/25/324177725.db2.gz HODXHBZSXQSNDT-QPSCCSFWSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CC)C[C@H](C)CO ZINC000564147401 324177697 /nfs/dbraw/zinc/17/76/97/324177697.db2.gz HODXHBZSXQSNDT-ZQDZILKHSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCC1CC1 ZINC000564152550 363126424 /nfs/dbraw/zinc/12/64/24/363126424.db2.gz OOXUMFRSOSUOFW-INIZCTEOSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCC1CC1 ZINC000564152554 363126344 /nfs/dbraw/zinc/12/63/44/363126344.db2.gz OOXUMFRSOSUOFW-MRXNPFEDSA-N 1 0 247.382 3.878 20 0 BHADRO CCC(CC)[N@H+](CC)CCc1ccc(OC)cc1 ZINC000564154119 363126057 /nfs/dbraw/zinc/12/60/57/363126057.db2.gz YBRKUWOBFWVFQD-UHFFFAOYSA-N 1 0 249.398 3.748 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000564162019 324183656 /nfs/dbraw/zinc/18/36/56/324183656.db2.gz XOVRBVSOTVOYDS-GUTXKFCHSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000564162020 324183811 /nfs/dbraw/zinc/18/38/11/324183811.db2.gz XOVRBVSOTVOYDS-GZBFAFLISA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000564162021 324183643 /nfs/dbraw/zinc/18/36/43/324183643.db2.gz XOVRBVSOTVOYDS-NFAWXSAZSA-N 1 0 235.371 3.627 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000564162022 324183834 /nfs/dbraw/zinc/18/38/34/324183834.db2.gz XOVRBVSOTVOYDS-UMVBOHGHSA-N 1 0 235.371 3.627 20 0 BHADRO CC1([NH2+]C2CC3(C2)CCCCC3)CCC1 ZINC000564199006 388664851 /nfs/dbraw/zinc/66/48/51/388664851.db2.gz DLGSAHLMKCJSIO-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCc1cccc(C)n1 ZINC000564207502 388704990 /nfs/dbraw/zinc/70/49/90/388704990.db2.gz DOKNXKFUZVXJPR-INIZCTEOSA-N 1 0 246.398 3.587 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCc1cccc(C)n1 ZINC000564207513 388705057 /nfs/dbraw/zinc/70/50/57/388705057.db2.gz DOKNXKFUZVXJPR-MRXNPFEDSA-N 1 0 246.398 3.587 20 0 BHADRO CSc1ccc(C[NH2+]C2CC(C)(C)C2)s1 ZINC000564226695 324881140 /nfs/dbraw/zinc/88/11/40/324881140.db2.gz GSLNXXXYPCLUSA-UHFFFAOYSA-N 1 0 241.425 3.748 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000564259373 325047049 /nfs/dbraw/zinc/04/70/49/325047049.db2.gz MJOLFLTZVAHTQW-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000564259374 325047235 /nfs/dbraw/zinc/04/72/35/325047235.db2.gz MJOLFLTZVAHTQW-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000564259376 325047553 /nfs/dbraw/zinc/04/75/53/325047553.db2.gz MJOLFLTZVAHTQW-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000564259377 325047414 /nfs/dbraw/zinc/04/74/14/325047414.db2.gz MJOLFLTZVAHTQW-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000564282788 325169034 /nfs/dbraw/zinc/16/90/34/325169034.db2.gz FHANWTXTJJQQAB-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO COc1ccccc1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000564282795 325168842 /nfs/dbraw/zinc/16/88/42/325168842.db2.gz FHANWTXTJJQQAB-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cn1 ZINC000564290578 325221678 /nfs/dbraw/zinc/22/16/78/325221678.db2.gz KWXMYOXLPRHCEI-GFCCVEGCSA-N 1 0 234.387 3.510 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cn1 ZINC000564290580 325221571 /nfs/dbraw/zinc/22/15/71/325221571.db2.gz KWXMYOXLPRHCEI-LBPRGKRZSA-N 1 0 234.387 3.510 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)(C)C ZINC000564297380 325250719 /nfs/dbraw/zinc/25/07/19/325250719.db2.gz SIMQOCDZLNWQHS-AWEZNQCLSA-N 1 0 249.398 3.923 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)(C)C ZINC000564297381 325250556 /nfs/dbraw/zinc/25/05/56/325250556.db2.gz SIMQOCDZLNWQHS-CQSZACIVSA-N 1 0 249.398 3.923 20 0 BHADRO Cc1ccncc1CCC[N@H+]1CCCCC[C@@H]1C ZINC000564299386 325263356 /nfs/dbraw/zinc/26/33/56/325263356.db2.gz ZZJNQFAVZYMUED-HNNXBMFYSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1ccncc1CCC[N@H+]1CCCCC[C@H]1C ZINC000564299387 325262946 /nfs/dbraw/zinc/26/29/46/325262946.db2.gz ZZJNQFAVZYMUED-OAHLLOKOSA-N 1 0 246.398 3.587 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000564305214 325293955 /nfs/dbraw/zinc/29/39/55/325293955.db2.gz PNQANGNELXHACT-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000564305217 325293933 /nfs/dbraw/zinc/29/39/33/325293933.db2.gz PNQANGNELXHACT-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCC[C@H]1CCCCO1 ZINC000564305218 325293667 /nfs/dbraw/zinc/29/36/67/325293667.db2.gz PNQANGNELXHACT-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCC[C@H]1CCCCO1 ZINC000564305220 325293873 /nfs/dbraw/zinc/29/38/73/325293873.db2.gz PNQANGNELXHACT-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000564305494 325294430 /nfs/dbraw/zinc/29/44/30/325294430.db2.gz NPFFCLSOWJVEIZ-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000564305501 325294798 /nfs/dbraw/zinc/29/47/98/325294798.db2.gz NPFFCLSOWJVEIZ-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000564305502 364347480 /nfs/dbraw/zinc/34/74/80/364347480.db2.gz NPFFCLSOWJVEIZ-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000564305505 364348142 /nfs/dbraw/zinc/34/81/42/364348142.db2.gz NPFFCLSOWJVEIZ-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO FC1(CN2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000564307740 325301113 /nfs/dbraw/zinc/30/11/13/325301113.db2.gz SIDQHBDBCROVJR-GFCCVEGCSA-N 1 0 239.721 3.589 20 0 BHADRO FC1(CN2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000564307741 325301406 /nfs/dbraw/zinc/30/14/06/325301406.db2.gz SIDQHBDBCROVJR-LBPRGKRZSA-N 1 0 239.721 3.589 20 0 BHADRO Clc1ccc(C[NH+]2CC(C3CCC3)C2)s1 ZINC000564310023 325311332 /nfs/dbraw/zinc/31/13/32/325311332.db2.gz KOFVDPTYRXWFSG-UHFFFAOYSA-N 1 0 241.787 3.633 20 0 BHADRO Cc1ccc(C[NH+]2CC(C3CCC3)C2)c(C)c1 ZINC000564311392 325317984 /nfs/dbraw/zinc/31/79/84/325317984.db2.gz VLOMJFNTYQXHSX-UHFFFAOYSA-N 1 0 229.367 3.535 20 0 BHADRO CC(C)(C)C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000564319229 325349240 /nfs/dbraw/zinc/34/92/40/325349240.db2.gz QKSPTLRIMDYCBZ-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1sccc1C ZINC000564322826 325364961 /nfs/dbraw/zinc/36/49/61/325364961.db2.gz BTMCEBUWNDSLKG-LLVKDONJSA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1sccc1C ZINC000564322843 325364756 /nfs/dbraw/zinc/36/47/56/325364756.db2.gz BTMCEBUWNDSLKG-NSHDSACASA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1sccc1C ZINC000564323697 325367874 /nfs/dbraw/zinc/36/78/74/325367874.db2.gz OQTXKTGTRHCMOJ-NEPJUHHUSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1sccc1C ZINC000564323698 325367885 /nfs/dbraw/zinc/36/78/85/325367885.db2.gz OQTXKTGTRHCMOJ-NWDGAFQWSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1sccc1C ZINC000564323699 325367847 /nfs/dbraw/zinc/36/78/47/325367847.db2.gz OQTXKTGTRHCMOJ-RYUDHWBXSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1sccc1C ZINC000564323700 325367866 /nfs/dbraw/zinc/36/78/66/325367866.db2.gz OQTXKTGTRHCMOJ-VXGBXAGGSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1ccc(Cl)o1 ZINC000564324280 325371587 /nfs/dbraw/zinc/37/15/87/325371587.db2.gz BBAGXECZUZHDET-SECBINFHSA-N 1 0 247.791 3.506 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(Cl)o1 ZINC000564324289 325371697 /nfs/dbraw/zinc/37/16/97/325371697.db2.gz BBAGXECZUZHDET-VIFPVBQESA-N 1 0 247.791 3.506 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000564325864 325375615 /nfs/dbraw/zinc/37/56/15/325375615.db2.gz QQSHRNZBJSNZJA-IRCOFANPSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000564325875 325375833 /nfs/dbraw/zinc/37/58/33/325375833.db2.gz QQSHRNZBJSNZJA-WHOHXGKFSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000564325876 325375571 /nfs/dbraw/zinc/37/55/71/325375571.db2.gz QQSHRNZBJSNZJA-WISYIIOYSA-N 1 0 249.320 3.601 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000564356579 325483855 /nfs/dbraw/zinc/48/38/55/325483855.db2.gz QPFWGLWKJLRSPD-GDBMZVCRSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000564356586 388562298 /nfs/dbraw/zinc/56/22/98/388562298.db2.gz QPFWGLWKJLRSPD-GOEBONIOSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000564356587 388562561 /nfs/dbraw/zinc/56/25/61/388562561.db2.gz QPFWGLWKJLRSPD-HOCLYGCPSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000564356588 388562241 /nfs/dbraw/zinc/56/22/41/388562241.db2.gz QPFWGLWKJLRSPD-ZBFHGGJFSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCCCC2)CCC1(F)F ZINC000564392840 388722166 /nfs/dbraw/zinc/72/21/66/388722166.db2.gz IGZRQSPDDHRREA-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1C[N@H+](CC2CCCCC2)CCC1(F)F ZINC000564392989 388722120 /nfs/dbraw/zinc/72/21/20/388722120.db2.gz IGZRQSPDDHRREA-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1C[N@H+](CCCC(C)(C)C)CCC1(F)F ZINC000564395702 398329546 /nfs/dbraw/zinc/32/95/46/398329546.db2.gz QWLVLYVQTUJYCR-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO C[C@H]1C[N@H+](CCCC(C)(C)C)CCC1(F)F ZINC000564395709 398329866 /nfs/dbraw/zinc/32/98/66/398329866.db2.gz QWLVLYVQTUJYCR-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO C(=C/c1ccccc1)\CC[NH+]1C2CCC1CC2 ZINC000564408874 384358861 /nfs/dbraw/zinc/35/88/61/384358861.db2.gz LFIQSPIVVNRTPT-XBXARRHUSA-N 1 0 227.351 3.717 20 0 BHADRO C(=C\c1ccccc1)\CC[NH+]1C2CCC1CC2 ZINC000564408878 322992377 /nfs/dbraw/zinc/99/23/77/322992377.db2.gz LFIQSPIVVNRTPT-YWEYNIOJSA-N 1 0 227.351 3.717 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000564431069 384869667 /nfs/dbraw/zinc/86/96/67/384869667.db2.gz UZQCJGOYFODIKG-KGYLQXTDSA-N 1 0 247.407 3.772 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000564431070 384869488 /nfs/dbraw/zinc/86/94/88/384869488.db2.gz UZQCJGOYFODIKG-WCFLWFBJSA-N 1 0 247.407 3.772 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC(C)(C)C)C1 ZINC000564463574 384780414 /nfs/dbraw/zinc/78/04/14/384780414.db2.gz WYGJMFAHXHEYQK-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC(C)(C)C)C1 ZINC000564463578 384779305 /nfs/dbraw/zinc/77/93/05/384779305.db2.gz WYGJMFAHXHEYQK-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC(C)(C)C)C1 ZINC000564463579 384780168 /nfs/dbraw/zinc/78/01/68/384780168.db2.gz WYGJMFAHXHEYQK-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(C)(C)C)C1 ZINC000564463582 384780093 /nfs/dbraw/zinc/78/00/93/384780093.db2.gz WYGJMFAHXHEYQK-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO CCC[N@H+](Cc1scnc1C1CC1)C(C)C ZINC000564470869 384224892 /nfs/dbraw/zinc/22/48/92/384224892.db2.gz QGAKWIWDJWUQCT-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000564474637 388875894 /nfs/dbraw/zinc/87/58/94/388875894.db2.gz IDDKWYKRUQSMLF-CTHBEMJXSA-N 1 0 235.346 3.516 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000564474643 325794266 /nfs/dbraw/zinc/79/42/66/325794266.db2.gz IDDKWYKRUQSMLF-DDHJSBNISA-N 1 0 235.346 3.516 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000564474644 325794021 /nfs/dbraw/zinc/79/40/21/325794021.db2.gz IDDKWYKRUQSMLF-MYZSUADSSA-N 1 0 235.346 3.516 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000564474646 325794244 /nfs/dbraw/zinc/79/42/44/325794244.db2.gz IDDKWYKRUQSMLF-NZBPQXDJSA-N 1 0 235.346 3.516 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](F)C2)cc1C ZINC000564487303 325794260 /nfs/dbraw/zinc/79/42/60/325794260.db2.gz NBWCMAHYVXRUJU-CABCVRRESA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](F)C2)cc1C ZINC000564487315 388876349 /nfs/dbraw/zinc/87/63/49/388876349.db2.gz NBWCMAHYVXRUJU-GJZGRUSLSA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1C ZINC000564487318 388875463 /nfs/dbraw/zinc/87/54/63/388875463.db2.gz NBWCMAHYVXRUJU-HUUCEWRRSA-N 1 0 235.346 3.592 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](F)C2)cc1C ZINC000564487320 325794174 /nfs/dbraw/zinc/79/41/74/325794174.db2.gz NBWCMAHYVXRUJU-LSDHHAIUSA-N 1 0 235.346 3.592 20 0 BHADRO CC1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000564514663 388877023 /nfs/dbraw/zinc/87/70/23/388877023.db2.gz WZOPXSGQKVMSAT-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CC1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000564514671 388877635 /nfs/dbraw/zinc/87/76/35/388877635.db2.gz WZOPXSGQKVMSAT-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO CSC1(C[N@H+](C)C2CCCCCC2)CCC1 ZINC000564526900 388876820 /nfs/dbraw/zinc/87/68/20/388876820.db2.gz AJERNXABSURQFL-UHFFFAOYSA-N 1 0 241.444 3.927 20 0 BHADRO CSc1ccc(C[N@H+](C)C2CCCC2)s1 ZINC000564527923 388877573 /nfs/dbraw/zinc/87/75/73/388877573.db2.gz FOUVASJJUBGCFS-UHFFFAOYSA-N 1 0 241.425 3.844 20 0 BHADRO Fc1ccc(CC[NH+]2CCCCC2)c(Cl)c1 ZINC000564528812 323012282 /nfs/dbraw/zinc/01/22/82/323012282.db2.gz KPWJFLHWMPVNTG-UHFFFAOYSA-N 1 0 241.737 3.508 20 0 BHADRO CC(C)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC000564530113 388877414 /nfs/dbraw/zinc/87/74/14/388877414.db2.gz VYBXVLTUZSPROV-UHFFFAOYSA-N 1 0 243.753 3.609 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000564532562 388877437 /nfs/dbraw/zinc/87/74/37/388877437.db2.gz IAKBQMIXIGOPEB-INIZCTEOSA-N 1 0 241.378 3.760 20 0 BHADRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000564532563 388877686 /nfs/dbraw/zinc/87/76/86/388877686.db2.gz IAKBQMIXIGOPEB-MRXNPFEDSA-N 1 0 241.378 3.760 20 0 BHADRO C[C@H]1CCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000564533665 388876793 /nfs/dbraw/zinc/87/67/93/388876793.db2.gz UBNNFIORDFJPJM-JTQLQIEISA-N 1 0 241.737 3.506 20 0 BHADRO C[C@@H]1CCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000564533666 388877679 /nfs/dbraw/zinc/87/76/79/388877679.db2.gz UBNNFIORDFJPJM-SNVBAGLBSA-N 1 0 241.737 3.506 20 0 BHADRO CSC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CCC1 ZINC000564571013 323094928 /nfs/dbraw/zinc/09/49/28/323094928.db2.gz OTFXGRXCJDONJP-STQMWFEESA-N 1 0 239.428 3.537 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)c1ccccc1 ZINC000564587481 388880940 /nfs/dbraw/zinc/88/09/40/388880940.db2.gz XSEZXAUZCOVINS-DZGCQCFKSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CC2)c1ccccc1 ZINC000564587485 325797768 /nfs/dbraw/zinc/79/77/68/325797768.db2.gz XSEZXAUZCOVINS-HIFRSBDPSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CC2)c1ccccc1 ZINC000564587486 388880078 /nfs/dbraw/zinc/88/00/78/388880078.db2.gz XSEZXAUZCOVINS-UKRRQHHQSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CC2)c1ccccc1 ZINC000564587487 325797570 /nfs/dbraw/zinc/79/75/70/325797570.db2.gz XSEZXAUZCOVINS-ZFWWWQNUSA-N 1 0 229.367 3.712 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCCSC ZINC000564633463 388881486 /nfs/dbraw/zinc/88/14/86/388881486.db2.gz KHZFYSHJDJOIGI-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCCSC ZINC000564633506 388881299 /nfs/dbraw/zinc/88/12/99/388881299.db2.gz KHZFYSHJDJOIGI-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H](C)c2ccoc2)cc1 ZINC000564653808 325801247 /nfs/dbraw/zinc/80/12/47/325801247.db2.gz LCKGQAMGFZDWKB-CYBMUJFWSA-N 1 0 241.334 3.816 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000564653809 388883432 /nfs/dbraw/zinc/88/34/32/388883432.db2.gz LCKGQAMGFZDWKB-ZDUSSCGKSA-N 1 0 241.334 3.816 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H]1C ZINC000564656882 388883103 /nfs/dbraw/zinc/88/31/03/388883103.db2.gz YNMJLYFBXWGQRU-RMPHRYRLSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H]1C ZINC000564656883 388883030 /nfs/dbraw/zinc/88/30/30/388883030.db2.gz YNMJLYFBXWGQRU-YBXAARCKSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000564690530 325803221 /nfs/dbraw/zinc/80/32/21/325803221.db2.gz WRKBOQBVZMUQER-GXTWGEPZSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000564690532 388885462 /nfs/dbraw/zinc/88/54/62/388885462.db2.gz WRKBOQBVZMUQER-JSGCOSHPSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000564690533 388884689 /nfs/dbraw/zinc/88/46/89/388884689.db2.gz WRKBOQBVZMUQER-OCCSQVGLSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000564690534 325803353 /nfs/dbraw/zinc/80/33/53/325803353.db2.gz WRKBOQBVZMUQER-TZMCWYRMSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC1(COC)CC1 ZINC000564727683 388884458 /nfs/dbraw/zinc/88/44/58/388884458.db2.gz OWDMORMMNIYTPN-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC1(COC)CC1 ZINC000564727684 388885404 /nfs/dbraw/zinc/88/54/04/388885404.db2.gz OWDMORMMNIYTPN-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1(COC)CC1 ZINC000564727685 325802905 /nfs/dbraw/zinc/80/29/05/325802905.db2.gz OWDMORMMNIYTPN-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC1(COC)CC1 ZINC000564727686 388884551 /nfs/dbraw/zinc/88/45/51/388884551.db2.gz OWDMORMMNIYTPN-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[N@H+](Cc1ccnc2ccccc12)C(C)C ZINC000564741381 323017976 /nfs/dbraw/zinc/01/79/76/323017976.db2.gz ROEMJIMPIPOBJX-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[C@@H](C)F ZINC000564743328 345372827 /nfs/dbraw/zinc/37/28/27/345372827.db2.gz OIEYATBNCHWWIG-BZPMIXESSA-N 1 0 235.346 3.881 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[C@H](C)F ZINC000564743329 345373075 /nfs/dbraw/zinc/37/30/75/345373075.db2.gz OIEYATBNCHWWIG-DYEKYZERSA-N 1 0 235.346 3.881 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[C@H](C)F ZINC000564743330 345372887 /nfs/dbraw/zinc/37/28/87/345372887.db2.gz OIEYATBNCHWWIG-MBNYWOFBSA-N 1 0 235.346 3.881 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[C@@H](C)F ZINC000564743331 345373065 /nfs/dbraw/zinc/37/30/65/345373065.db2.gz OIEYATBNCHWWIG-YRGRVCCFSA-N 1 0 235.346 3.881 20 0 BHADRO Cc1ccc(C[NH2+]CCC2(F)CCC2)c(C)c1 ZINC000564752766 388886578 /nfs/dbraw/zinc/88/65/78/388886578.db2.gz DXXVHMGBYXPGQQ-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO CCC1CCC([N@H+](C)CC2(SC)CC2)CC1 ZINC000564756901 388887059 /nfs/dbraw/zinc/88/70/59/388887059.db2.gz JMCSVMYWCXBFKS-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO C[N@H+](CC1(C)CCC1)C1CCC(F)(F)CC1 ZINC000564758242 388887265 /nfs/dbraw/zinc/88/72/65/388887265.db2.gz FGHQOJFRKMIEJX-UHFFFAOYSA-N 1 0 231.330 3.686 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000564760586 388887126 /nfs/dbraw/zinc/88/71/26/388887126.db2.gz FZWAREKFBOFDIJ-AGIUHOORSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000564760587 388887303 /nfs/dbraw/zinc/88/73/03/388887303.db2.gz FZWAREKFBOFDIJ-FRRDWIJNSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000564760588 388887169 /nfs/dbraw/zinc/88/71/69/388887169.db2.gz FZWAREKFBOFDIJ-JHJVBQTASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000564760589 388886663 /nfs/dbraw/zinc/88/66/63/388886663.db2.gz FZWAREKFBOFDIJ-UPJWGTAASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](CC[N@@H+]1CCC1(C)C)c1ccccc1 ZINC000564810885 388889730 /nfs/dbraw/zinc/88/97/30/388889730.db2.gz SRQWORKWYFTNLX-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@@H](CC[N@@H+]1CCC1(C)C)c1ccccc1 ZINC000564810887 388889753 /nfs/dbraw/zinc/88/97/53/388889753.db2.gz SRQWORKWYFTNLX-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO C[N@H+](Cc1cc(F)cc2cccnc21)C(C)(C)C ZINC000564928366 388898857 /nfs/dbraw/zinc/89/88/57/388898857.db2.gz AYCHEVHPPASPEJ-UHFFFAOYSA-N 1 0 246.329 3.604 20 0 BHADRO COc1cc(C[N@H+](C)C(C)(C)C)ccc1Cl ZINC000564928441 385019994 /nfs/dbraw/zinc/01/99/94/385019994.db2.gz BSICPKKQJAPGAD-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO FCC1([NH2+]Cc2cccc(C3CC3)c2)CCC1 ZINC000564961079 325835909 /nfs/dbraw/zinc/83/59/09/325835909.db2.gz LVRZFNMHKPAKGY-UHFFFAOYSA-N 1 0 233.330 3.546 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000564966479 388902594 /nfs/dbraw/zinc/90/25/94/388902594.db2.gz MUSYZMCNONEZEM-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(CC[NH2+][C@H](C)CCCC(C)C)CC1 ZINC000564966482 388902589 /nfs/dbraw/zinc/90/25/89/388902589.db2.gz MUSYZMCNONEZEM-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)cs1 ZINC000564968429 388904474 /nfs/dbraw/zinc/90/44/74/388904474.db2.gz VZIYDCZKLKCDBL-CYZMBNFOSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)cs1 ZINC000564968432 325836272 /nfs/dbraw/zinc/83/62/72/325836272.db2.gz VZIYDCZKLKCDBL-DRZSPHRISA-N 1 0 241.375 3.988 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)cs1 ZINC000564968433 325837335 /nfs/dbraw/zinc/83/73/35/325837335.db2.gz VZIYDCZKLKCDBL-UHTWSYAYSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)cs1 ZINC000564968434 325837353 /nfs/dbraw/zinc/83/73/53/325837353.db2.gz VZIYDCZKLKCDBL-WCFLWFBJSA-N 1 0 241.375 3.988 20 0 BHADRO COc1ccc2oc(C[N@H+](C)C(C)(C)C)cc2c1 ZINC000564990296 384339651 /nfs/dbraw/zinc/33/96/51/384339651.db2.gz GIFIFJLMMGMEGO-UHFFFAOYSA-N 1 0 247.338 3.672 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1(CF)CCC1 ZINC000564990421 384344716 /nfs/dbraw/zinc/34/47/16/384344716.db2.gz KDTPQAXSDWXCEQ-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1(CF)CCC1 ZINC000564990423 384344030 /nfs/dbraw/zinc/34/40/30/384344030.db2.gz KDTPQAXSDWXCEQ-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO C[N@H+](Cc1cc(Cl)cs1)C(C)(C)C ZINC000564991093 388906418 /nfs/dbraw/zinc/90/64/18/388906418.db2.gz YTPUPAJQOOMBHU-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CC(C)(C)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000565074696 323012360 /nfs/dbraw/zinc/01/23/60/323012360.db2.gz BYAHWJPKDDEDCA-HOCLYGCPSA-N 1 0 231.383 3.816 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000565080679 388913212 /nfs/dbraw/zinc/91/32/12/388913212.db2.gz OKDOXVFHJUVUFA-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO c1cc2c(s1)C[N@H+](CCC1CCCC1)CC2 ZINC000565119069 388916030 /nfs/dbraw/zinc/91/60/30/388916030.db2.gz CMSWNLAOBUMFGK-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000565142101 388917272 /nfs/dbraw/zinc/91/72/72/388917272.db2.gz NUBZDCGWIZZFLC-GDBMZVCRSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000565142113 388917656 /nfs/dbraw/zinc/91/76/56/388917656.db2.gz NUBZDCGWIZZFLC-GOEBONIOSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000565142115 388917195 /nfs/dbraw/zinc/91/71/95/388917195.db2.gz NUBZDCGWIZZFLC-HOCLYGCPSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000565142118 325861247 /nfs/dbraw/zinc/86/12/47/325861247.db2.gz NUBZDCGWIZZFLC-ZBFHGGJFSA-N 1 0 247.382 3.624 20 0 BHADRO CCC[N@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000565169481 388920029 /nfs/dbraw/zinc/92/00/29/388920029.db2.gz FGSKZTUXLRMMJJ-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCC[N@H+](Cc1cnc2ccccc2c1)C(C)C ZINC000565173339 388921556 /nfs/dbraw/zinc/92/15/56/388921556.db2.gz RJEWJUKBLNFOHK-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[N@H+](Cc1cccc2cc[nH]c21)C(C)C ZINC000565229048 388929526 /nfs/dbraw/zinc/92/95/26/388929526.db2.gz KAOSZOMJFBPZGO-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO CC1(C)CC([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000565242678 325885612 /nfs/dbraw/zinc/88/56/12/325885612.db2.gz HARXCIYDIBFOSL-UHFFFAOYSA-N 1 0 246.329 3.585 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000565243195 388932090 /nfs/dbraw/zinc/93/20/90/388932090.db2.gz LOCHUYKSELSEEB-AWEZNQCLSA-N 1 0 247.407 3.701 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000565243198 325885341 /nfs/dbraw/zinc/88/53/41/325885341.db2.gz LOCHUYKSELSEEB-CQSZACIVSA-N 1 0 247.407 3.701 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCCCF)cc1 ZINC000565258055 388933964 /nfs/dbraw/zinc/93/39/64/388933964.db2.gz LOHQKVXGZVIGIB-UHFFFAOYSA-N 1 0 223.335 3.567 20 0 BHADRO CC(C)[N@H+](Cc1cccc(F)c1)CC1(C)CC1 ZINC000565281077 388934675 /nfs/dbraw/zinc/93/46/75/388934675.db2.gz LOMWINZMSXNQMJ-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)CC1(C)CC1 ZINC000565281142 388935317 /nfs/dbraw/zinc/93/53/17/388935317.db2.gz RGOPTNBEWLUTTG-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000565282637 388934887 /nfs/dbraw/zinc/93/48/87/388934887.db2.gz KKMNEBIKVWZEDI-CHWSQXEVSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000565282638 388934881 /nfs/dbraw/zinc/93/48/81/388934881.db2.gz KKMNEBIKVWZEDI-OLZOCXBDSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000565282639 388935257 /nfs/dbraw/zinc/93/52/57/388935257.db2.gz KKMNEBIKVWZEDI-QWHCGFSZSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000565282640 388934628 /nfs/dbraw/zinc/93/46/28/388934628.db2.gz KKMNEBIKVWZEDI-STQMWFEESA-N 1 0 249.423 3.944 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C(C)C)cs1 ZINC000565344396 388939329 /nfs/dbraw/zinc/93/93/29/388939329.db2.gz RIGFHKNSWRAUOB-UHFFFAOYSA-N 1 0 211.374 3.581 20 0 BHADRO Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000565377464 325903877 /nfs/dbraw/zinc/90/38/77/325903877.db2.gz IWGYBRYFVKRFRU-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000565377465 388941054 /nfs/dbraw/zinc/94/10/54/388941054.db2.gz IWGYBRYFVKRFRU-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000565377467 325903990 /nfs/dbraw/zinc/90/39/90/325903990.db2.gz IWGYBRYFVKRFRU-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000565377468 325903738 /nfs/dbraw/zinc/90/37/38/325903738.db2.gz IWGYBRYFVKRFRU-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000565412061 388942675 /nfs/dbraw/zinc/94/26/75/388942675.db2.gz DAYKALHRKAVFCR-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000565412064 325906580 /nfs/dbraw/zinc/90/65/80/325906580.db2.gz DAYKALHRKAVFCR-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000565412065 325907014 /nfs/dbraw/zinc/90/70/14/325907014.db2.gz DAYKALHRKAVFCR-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000565412066 325907050 /nfs/dbraw/zinc/90/70/50/325907050.db2.gz DAYKALHRKAVFCR-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cnc(CC[N@@H+](CC(C)C)C(C)C)c(C)c1 ZINC000565419117 388943337 /nfs/dbraw/zinc/94/33/37/388943337.db2.gz IGHILYCBVFBEJG-UHFFFAOYSA-N 1 0 248.414 3.607 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000565432271 388945029 /nfs/dbraw/zinc/94/50/29/388945029.db2.gz LXODDMASLXAEIE-FICVDOATSA-N 1 0 247.407 3.687 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000565432274 388944206 /nfs/dbraw/zinc/94/42/06/388944206.db2.gz LXODDMASLXAEIE-QDMKHBRRSA-N 1 0 247.407 3.687 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1Cl)CC1(C)CC1 ZINC000565457848 388946042 /nfs/dbraw/zinc/94/60/42/388946042.db2.gz MWIXZELMCIXMIQ-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO COCC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC000565461786 388945323 /nfs/dbraw/zinc/94/53/23/388945323.db2.gz JFTSZCJVKPXVIK-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1[nH+]c2c(n1CC1=CCCCC1)CCCC2 ZINC000565490202 388948654 /nfs/dbraw/zinc/94/86/54/388948654.db2.gz HDBASNNSGJIETD-UHFFFAOYSA-N 1 0 230.355 3.571 20 0 BHADRO c1cc(CCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000565501800 388949983 /nfs/dbraw/zinc/94/99/83/388949983.db2.gz AOHXMBDXKYVSIT-GASCZTMLSA-N 1 0 249.423 3.803 20 0 BHADRO c1cc(CCC[NH+]2C[C@@H]3CCCC[C@H]3C2)cs1 ZINC000565501801 325920241 /nfs/dbraw/zinc/92/02/41/325920241.db2.gz AOHXMBDXKYVSIT-GJZGRUSLSA-N 1 0 249.423 3.803 20 0 BHADRO c1cc(CCC[NH+]2C[C@H]3CCCC[C@@H]3C2)cs1 ZINC000565501802 325920228 /nfs/dbraw/zinc/92/02/28/325920228.db2.gz AOHXMBDXKYVSIT-HUUCEWRRSA-N 1 0 249.423 3.803 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000565555092 388953625 /nfs/dbraw/zinc/95/36/25/388953625.db2.gz YYGYMFKVORZEHO-HNNXBMFYSA-N 1 0 235.346 3.616 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000565555093 388954010 /nfs/dbraw/zinc/95/40/10/388954010.db2.gz YYGYMFKVORZEHO-OAHLLOKOSA-N 1 0 235.346 3.616 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1(c2cccc(OC)c2)CC1 ZINC000565569141 388954573 /nfs/dbraw/zinc/95/45/73/388954573.db2.gz VMHLPJDVGNFNSJ-CYBMUJFWSA-N 1 0 247.382 3.505 20 0 BHADRO CCC[C@H](C)[NH2+]CC1(c2cccc(OC)c2)CC1 ZINC000565569143 325928700 /nfs/dbraw/zinc/92/87/00/325928700.db2.gz VMHLPJDVGNFNSJ-ZDUSSCGKSA-N 1 0 247.382 3.505 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)ccc1F ZINC000565596154 325932366 /nfs/dbraw/zinc/93/23/66/325932366.db2.gz GLWXOHJCRXWKKE-CHWSQXEVSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)ccc1F ZINC000565596190 388957624 /nfs/dbraw/zinc/95/76/24/388957624.db2.gz GLWXOHJCRXWKKE-OLZOCXBDSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)ccc1F ZINC000565596192 388956556 /nfs/dbraw/zinc/95/65/56/388956556.db2.gz GLWXOHJCRXWKKE-QWHCGFSZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)ccc1F ZINC000565596193 388956769 /nfs/dbraw/zinc/95/67/69/388956769.db2.gz GLWXOHJCRXWKKE-STQMWFEESA-N 1 0 239.309 3.504 20 0 BHADRO C[N@H+](CC1CCCC1)C1CCC(F)(F)CC1 ZINC000565617732 388957993 /nfs/dbraw/zinc/95/79/93/388957993.db2.gz ZWTBAKRRCYHNBC-UHFFFAOYSA-N 1 0 231.330 3.686 20 0 BHADRO CSC1(C[N@H+](CC(C)C)C2CCCC2)CC1 ZINC000565624409 388958757 /nfs/dbraw/zinc/95/87/57/388958757.db2.gz COFIREQMKWSRLA-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)s1 ZINC000565631690 388958229 /nfs/dbraw/zinc/95/82/29/388958229.db2.gz OYZLMKHFKOWWEZ-NXEZZACHSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)s1 ZINC000565631694 388958865 /nfs/dbraw/zinc/95/88/65/388958865.db2.gz OYZLMKHFKOWWEZ-UWVGGRQHSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)s1 ZINC000565631695 388958786 /nfs/dbraw/zinc/95/87/86/388958786.db2.gz OYZLMKHFKOWWEZ-VHSXEESVSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)s1 ZINC000565631696 388958797 /nfs/dbraw/zinc/95/87/97/388958797.db2.gz OYZLMKHFKOWWEZ-ZJUUUORDSA-N 1 0 241.425 3.700 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000565633746 325936201 /nfs/dbraw/zinc/93/62/01/325936201.db2.gz BUSGVIRHLJDHPT-GHMZBOCLSA-N 1 0 249.320 3.745 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000565633753 388958398 /nfs/dbraw/zinc/95/83/98/388958398.db2.gz BUSGVIRHLJDHPT-MNOVXSKESA-N 1 0 249.320 3.745 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000565633755 325936286 /nfs/dbraw/zinc/93/62/86/325936286.db2.gz BUSGVIRHLJDHPT-QWRGUYRKSA-N 1 0 249.320 3.745 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000565633756 388958526 /nfs/dbraw/zinc/95/85/26/388958526.db2.gz BUSGVIRHLJDHPT-WDEREUQCSA-N 1 0 249.320 3.745 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000565640251 388959947 /nfs/dbraw/zinc/95/99/47/388959947.db2.gz SZHFKKDCJCYMKP-GFCCVEGCSA-N 1 0 223.360 3.545 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000565640252 325936684 /nfs/dbraw/zinc/93/66/84/325936684.db2.gz SZHFKKDCJCYMKP-LBPRGKRZSA-N 1 0 223.360 3.545 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000565660357 388960536 /nfs/dbraw/zinc/96/05/36/388960536.db2.gz IUCGIFVZWOFOTK-INIZCTEOSA-N 1 0 249.373 3.691 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000565660366 388959884 /nfs/dbraw/zinc/95/98/84/388959884.db2.gz IUCGIFVZWOFOTK-MRXNPFEDSA-N 1 0 249.373 3.691 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CCC(C)(C)C ZINC000565663765 388960217 /nfs/dbraw/zinc/96/02/17/388960217.db2.gz LTTFAYKGQKAZDC-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CCC(C)(C)C ZINC000565663781 388959803 /nfs/dbraw/zinc/95/98/03/388959803.db2.gz LTTFAYKGQKAZDC-HZSPNIEDSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CCC(C)(C)C ZINC000565663782 388959549 /nfs/dbraw/zinc/95/95/49/388959549.db2.gz LTTFAYKGQKAZDC-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CCC(C)(C)C ZINC000565663783 388959827 /nfs/dbraw/zinc/95/98/27/388959827.db2.gz LTTFAYKGQKAZDC-MGPQQGTHSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCCCF ZINC000565670842 388961393 /nfs/dbraw/zinc/96/13/93/388961393.db2.gz UODDNZJWLDCHTK-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCCCF ZINC000565670844 388961170 /nfs/dbraw/zinc/96/11/70/388961170.db2.gz UODDNZJWLDCHTK-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000565670859 325942577 /nfs/dbraw/zinc/94/25/77/325942577.db2.gz KSXCHKKOPVELHH-HRCADAONSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000565670861 325942621 /nfs/dbraw/zinc/94/26/21/325942621.db2.gz KSXCHKKOPVELHH-JYJNAYRXSA-N 1 0 241.378 3.712 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000565728226 388965415 /nfs/dbraw/zinc/96/54/15/388965415.db2.gz CXRDYZGTZIHECH-FOLNQXHWSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000565728227 388966278 /nfs/dbraw/zinc/96/62/78/388966278.db2.gz CXRDYZGTZIHECH-GWNLFYIMSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000565728228 325949438 /nfs/dbraw/zinc/94/94/38/325949438.db2.gz CXRDYZGTZIHECH-OWDFPOFWSA-N 1 0 233.399 3.733 20 0 BHADRO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000565728229 325949436 /nfs/dbraw/zinc/94/94/36/325949436.db2.gz CXRDYZGTZIHECH-XMEMRUQMSA-N 1 0 233.399 3.733 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH+]2CC(C3CCC3)C2)cc1 ZINC000565742247 325950630 /nfs/dbraw/zinc/95/06/30/325950630.db2.gz AXVIPANVUJDZLD-DOTOQJQBSA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH+]2CC(C3CCC3)C2)cc1 ZINC000565742256 325950594 /nfs/dbraw/zinc/95/05/94/325950594.db2.gz AXVIPANVUJDZLD-NVXWUHKLSA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH+]2CC(C3CCC3)C2)cc1 ZINC000565742257 325950825 /nfs/dbraw/zinc/95/08/25/325950825.db2.gz AXVIPANVUJDZLD-WBVHZDCISA-N 1 0 241.378 3.522 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)CC1(C)CC1 ZINC000565751645 388966954 /nfs/dbraw/zinc/96/69/54/388966954.db2.gz ZHWFOVQNMKOSCR-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)C(F)(F)F ZINC000565756427 388967668 /nfs/dbraw/zinc/96/76/68/388967668.db2.gz WJOFKWPEQIGPPA-SECBINFHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)C(F)(F)F ZINC000565756439 388967556 /nfs/dbraw/zinc/96/75/56/388967556.db2.gz WJOFKWPEQIGPPA-VIFPVBQESA-N 1 0 239.325 3.989 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H](C)CC ZINC000565787273 388969832 /nfs/dbraw/zinc/96/98/32/388969832.db2.gz CJUANKXPZMTYFE-CYBMUJFWSA-N 1 0 248.414 3.998 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)CC ZINC000565787277 388969982 /nfs/dbraw/zinc/96/99/82/388969982.db2.gz CJUANKXPZMTYFE-ZDUSSCGKSA-N 1 0 248.414 3.998 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000565818781 388971558 /nfs/dbraw/zinc/97/15/58/388971558.db2.gz HJGOHFLETZEAOM-CYBMUJFWSA-N 1 0 246.398 3.581 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000565818790 388971457 /nfs/dbraw/zinc/97/14/57/388971457.db2.gz HJGOHFLETZEAOM-ZDUSSCGKSA-N 1 0 246.398 3.581 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000565824057 385146008 /nfs/dbraw/zinc/14/60/08/385146008.db2.gz DTODAGKPLHSPTH-BSWAZPDLSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000565824061 385144019 /nfs/dbraw/zinc/14/40/19/385144019.db2.gz DTODAGKPLHSPTH-IWCQGFGOSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000565824065 385145648 /nfs/dbraw/zinc/14/56/48/385145648.db2.gz DTODAGKPLHSPTH-MXASKKJJSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000565824066 322942369 /nfs/dbraw/zinc/94/23/69/322942369.db2.gz DTODAGKPLHSPTH-SIXLDLHFSA-N 1 0 243.394 3.885 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC=C(C)C2)s1 ZINC000565825187 388971027 /nfs/dbraw/zinc/97/10/27/388971027.db2.gz AGFQZUKPTJOVKZ-UHFFFAOYSA-N 1 0 239.409 3.622 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1C ZINC000565846400 325965191 /nfs/dbraw/zinc/96/51/91/325965191.db2.gz UQGCNOQFNMWDAC-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)c1C ZINC000565846407 388974369 /nfs/dbraw/zinc/97/43/69/388974369.db2.gz UQGCNOQFNMWDAC-VHDGCEQUSA-N 1 0 235.346 3.845 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000565856417 388973380 /nfs/dbraw/zinc/97/33/80/388973380.db2.gz NLWBTQWCGZMQDR-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000565856418 388973700 /nfs/dbraw/zinc/97/37/00/388973700.db2.gz NLWBTQWCGZMQDR-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000565856419 388973737 /nfs/dbraw/zinc/97/37/37/388973737.db2.gz NLWBTQWCGZMQDR-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000565856420 325965750 /nfs/dbraw/zinc/96/57/50/325965750.db2.gz NLWBTQWCGZMQDR-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000565859507 325966150 /nfs/dbraw/zinc/96/61/50/325966150.db2.gz FAVDLYCZXUKFKA-CYBMUJFWSA-N 1 0 244.382 3.940 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000565859512 388973514 /nfs/dbraw/zinc/97/35/14/388973514.db2.gz FAVDLYCZXUKFKA-ZDUSSCGKSA-N 1 0 244.382 3.940 20 0 BHADRO CCC1([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000565874298 325968288 /nfs/dbraw/zinc/96/82/88/325968288.db2.gz AQSTWXBPHBGACN-AWEZNQCLSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000565874300 388974981 /nfs/dbraw/zinc/97/49/81/388974981.db2.gz AQSTWXBPHBGACN-CQSZACIVSA-N 1 0 245.366 3.605 20 0 BHADRO C[N@H+](CCCCCF)CC1CCCCC1 ZINC000565884080 388976170 /nfs/dbraw/zinc/97/61/70/388976170.db2.gz VMVSTAGQLTXOII-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000565890829 388977120 /nfs/dbraw/zinc/97/71/20/388977120.db2.gz WJMFUEFNABITLZ-HNNXBMFYSA-N 1 0 246.398 3.697 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000565890835 388977185 /nfs/dbraw/zinc/97/71/85/388977185.db2.gz WJMFUEFNABITLZ-OAHLLOKOSA-N 1 0 246.398 3.697 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000565904423 325972754 /nfs/dbraw/zinc/97/27/54/325972754.db2.gz NYMFFXXVKVOQAT-GXTWGEPZSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000565904428 325972567 /nfs/dbraw/zinc/97/25/67/325972567.db2.gz NYMFFXXVKVOQAT-JSGCOSHPSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000565904429 388977950 /nfs/dbraw/zinc/97/79/50/388977950.db2.gz NYMFFXXVKVOQAT-OCCSQVGLSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000565904430 325972808 /nfs/dbraw/zinc/97/28/08/325972808.db2.gz NYMFFXXVKVOQAT-TZMCWYRMSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H](C)C[NH2+]CCC1CCC(OC)CC1 ZINC000565920056 325973902 /nfs/dbraw/zinc/97/39/02/325973902.db2.gz NSFGAKBFKQCRCL-NFOMZHRRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCC1CCC(OC)CC1 ZINC000565920068 388979488 /nfs/dbraw/zinc/97/94/88/388979488.db2.gz NSFGAKBFKQCRCL-WLYUNCDWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)OC ZINC000565924484 388978877 /nfs/dbraw/zinc/97/88/77/388978877.db2.gz WWSCACJRHRBPTN-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)OC ZINC000565924488 388979344 /nfs/dbraw/zinc/97/93/44/388979344.db2.gz WWSCACJRHRBPTN-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)OC ZINC000565924490 388979672 /nfs/dbraw/zinc/97/96/72/388979672.db2.gz WWSCACJRHRBPTN-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)OC ZINC000565924493 325973209 /nfs/dbraw/zinc/97/32/09/325973209.db2.gz WWSCACJRHRBPTN-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565930734 388979288 /nfs/dbraw/zinc/97/92/88/388979288.db2.gz AIEOBQBVBJFINH-DZGCQCFKSA-N 1 0 235.346 3.744 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000565930737 388979576 /nfs/dbraw/zinc/97/95/76/388979576.db2.gz AIEOBQBVBJFINH-HIFRSBDPSA-N 1 0 235.346 3.744 20 0 BHADRO CC[C@@H](F)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565930738 388978759 /nfs/dbraw/zinc/97/87/59/388978759.db2.gz AIEOBQBVBJFINH-UKRRQHHQSA-N 1 0 235.346 3.744 20 0 BHADRO CC[C@H](F)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000565930739 388979432 /nfs/dbraw/zinc/97/94/32/388979432.db2.gz AIEOBQBVBJFINH-ZFWWWQNUSA-N 1 0 235.346 3.744 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC(C)(C)C2)oc1C ZINC000565963153 388981680 /nfs/dbraw/zinc/98/16/80/388981680.db2.gz QVBHNXFMNLRYJD-JTQLQIEISA-N 1 0 221.344 3.736 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)C2)oc1C ZINC000565963154 388981697 /nfs/dbraw/zinc/98/16/97/388981697.db2.gz QVBHNXFMNLRYJD-SNVBAGLBSA-N 1 0 221.344 3.736 20 0 BHADRO CSc1ccc(C[NH+]2C3CCC2CC3)s1 ZINC000565984680 325980267 /nfs/dbraw/zinc/98/02/67/325980267.db2.gz ZFSVZWZIJZKGSJ-UHFFFAOYSA-N 1 0 239.409 3.597 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000565990793 325981847 /nfs/dbraw/zinc/98/18/47/325981847.db2.gz LVKWRIVXICCPSN-AWEZNQCLSA-N 1 0 235.346 3.537 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000565990794 388981907 /nfs/dbraw/zinc/98/19/07/388981907.db2.gz LVKWRIVXICCPSN-CQSZACIVSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000566009127 388983325 /nfs/dbraw/zinc/98/33/25/388983325.db2.gz CXWQQNBKDSODLH-BMFZPTHFSA-N 1 0 249.373 3.878 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000566009128 388983546 /nfs/dbraw/zinc/98/35/46/388983546.db2.gz CXWQQNBKDSODLH-FVQBIDKESA-N 1 0 249.373 3.878 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000566009129 388983494 /nfs/dbraw/zinc/98/34/94/388983494.db2.gz CXWQQNBKDSODLH-KBMXLJTQSA-N 1 0 249.373 3.878 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000566009130 398189397 /nfs/dbraw/zinc/18/93/97/398189397.db2.gz CXWQQNBKDSODLH-VNQPRFMTSA-N 1 0 249.373 3.878 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000566019891 388983807 /nfs/dbraw/zinc/98/38/07/388983807.db2.gz VSNDZABWVYJNIW-LLVKDONJSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000566019892 388983612 /nfs/dbraw/zinc/98/36/12/388983612.db2.gz VSNDZABWVYJNIW-NSHDSACASA-N 1 0 249.402 3.508 20 0 BHADRO CC1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000566043188 325986783 /nfs/dbraw/zinc/98/67/83/325986783.db2.gz HDGTYZJBEITMMI-OGVSOVDVSA-N 1 0 243.394 3.885 20 0 BHADRO CC1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000566043189 325986777 /nfs/dbraw/zinc/98/67/77/325986777.db2.gz HDGTYZJBEITMMI-SIWZUTFBSA-N 1 0 243.394 3.885 20 0 BHADRO Fc1ccc2cc(C[NH2+]CCCC3CC3)[nH]c2c1 ZINC000566044782 325987435 /nfs/dbraw/zinc/98/74/35/325987435.db2.gz GRCKGDXYJLKFJB-UHFFFAOYSA-N 1 0 246.329 3.587 20 0 BHADRO Cc1csc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000566051078 325988250 /nfs/dbraw/zinc/98/82/50/325988250.db2.gz PERSKGMWRGTIOE-CYBMUJFWSA-N 1 0 223.385 3.581 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000566051079 325988034 /nfs/dbraw/zinc/98/80/34/325988034.db2.gz PERSKGMWRGTIOE-ZDUSSCGKSA-N 1 0 223.385 3.581 20 0 BHADRO c1cc(C[NH2+]C2(C3CC3)CC2)cc(C2CC2)c1 ZINC000566076743 325990952 /nfs/dbraw/zinc/99/09/52/325990952.db2.gz MDWCEFDJABAZBB-UHFFFAOYSA-N 1 0 227.351 3.596 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000566096543 325994567 /nfs/dbraw/zinc/99/45/67/325994567.db2.gz ZYWKOVNZQSEHFU-INWMFGNUSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000566096550 325994579 /nfs/dbraw/zinc/99/45/79/325994579.db2.gz ZYWKOVNZQSEHFU-NOLJZWGESA-N 1 0 247.382 3.627 20 0 BHADRO CC[N@H+](CCc1ncc(C)cc1C)[C@@H](C)C(C)C ZINC000566155920 326003822 /nfs/dbraw/zinc/00/38/22/326003822.db2.gz MRIYOEKRCQERJC-HNNXBMFYSA-N 1 0 248.414 3.607 20 0 BHADRO CC[N@H+](CCc1ncc(C)cc1C)[C@H](C)C(C)C ZINC000566155921 326003703 /nfs/dbraw/zinc/00/37/03/326003703.db2.gz MRIYOEKRCQERJC-OAHLLOKOSA-N 1 0 248.414 3.607 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCc1ccncc1C ZINC000566155936 326003686 /nfs/dbraw/zinc/00/36/86/326003686.db2.gz NECBZBHUPKZGTD-INIZCTEOSA-N 1 0 246.398 3.587 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCc1ccncc1C ZINC000566155937 326004038 /nfs/dbraw/zinc/00/40/38/326004038.db2.gz NECBZBHUPKZGTD-MRXNPFEDSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1cnc(CC[N@@H+]2[C@@H](C)CCC2(C)C)c(C)c1 ZINC000566163269 384917901 /nfs/dbraw/zinc/91/79/01/384917901.db2.gz GOYISBMXNBWLDG-AWEZNQCLSA-N 1 0 246.398 3.504 20 0 BHADRO Cc1cnc(CC[N@@H+]2[C@H](C)CCC2(C)C)c(C)c1 ZINC000566163270 384919202 /nfs/dbraw/zinc/91/92/02/384919202.db2.gz GOYISBMXNBWLDG-CQSZACIVSA-N 1 0 246.398 3.504 20 0 BHADRO Cc1cccc(CC[N@@H+](C(C)C)C2CCCC2)n1 ZINC000566170172 384964151 /nfs/dbraw/zinc/96/41/51/384964151.db2.gz LSLGIDMJAALADU-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO FCC1([NH2+]Cc2ccc3ccccc3c2)CCC1 ZINC000566217309 326016624 /nfs/dbraw/zinc/01/66/24/326016624.db2.gz OCAGHYXUAFUFIM-UHFFFAOYSA-N 1 0 243.325 3.822 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000566220746 326016948 /nfs/dbraw/zinc/01/69/48/326016948.db2.gz NERVSCLMMKQBGF-ARFHVFGLSA-N 1 0 249.373 3.878 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000566220751 326016929 /nfs/dbraw/zinc/01/69/29/326016929.db2.gz NERVSCLMMKQBGF-BZUAXINKSA-N 1 0 249.373 3.878 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000566220753 326016942 /nfs/dbraw/zinc/01/69/42/326016942.db2.gz NERVSCLMMKQBGF-OAGGEKHMSA-N 1 0 249.373 3.878 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000566220754 326017198 /nfs/dbraw/zinc/01/71/98/326017198.db2.gz NERVSCLMMKQBGF-XHSDSOJGSA-N 1 0 249.373 3.878 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000566221623 326016921 /nfs/dbraw/zinc/01/69/21/326016921.db2.gz POLLPICTDKJCRI-BBBLOLIVSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000566221627 326017089 /nfs/dbraw/zinc/01/70/89/326017089.db2.gz POLLPICTDKJCRI-KXUCPTDWSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000566221629 326017137 /nfs/dbraw/zinc/01/71/37/326017137.db2.gz POLLPICTDKJCRI-OPRDCNLKSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000566221630 326017169 /nfs/dbraw/zinc/01/71/69/326017169.db2.gz POLLPICTDKJCRI-UTLUCORTSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](CCC1CCCCC1)[NH2+]Cc1ccno1 ZINC000566243437 326021852 /nfs/dbraw/zinc/02/18/52/326021852.db2.gz UXQNZDGDRQSWBQ-GFCCVEGCSA-N 1 0 236.359 3.513 20 0 BHADRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1ccno1 ZINC000566243439 326021538 /nfs/dbraw/zinc/02/15/38/326021538.db2.gz UXQNZDGDRQSWBQ-LBPRGKRZSA-N 1 0 236.359 3.513 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C1(CF)CCC1 ZINC000566247936 326023469 /nfs/dbraw/zinc/02/34/69/326023469.db2.gz BZCIBGGHIJJTIX-SECBINFHSA-N 1 0 241.272 3.589 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1(CF)CCC1 ZINC000566247937 326023328 /nfs/dbraw/zinc/02/33/28/326023328.db2.gz BZCIBGGHIJJTIX-VIFPVBQESA-N 1 0 241.272 3.589 20 0 BHADRO C[N@H+](Cc1ccsc1Cl)C(C)(C)C ZINC000566248130 326023340 /nfs/dbraw/zinc/02/33/40/326023340.db2.gz OSXBMMHCBBZBLF-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C2(CF)CCC2)C1 ZINC000566248251 326023457 /nfs/dbraw/zinc/02/34/57/326023457.db2.gz XBSOJWHDCNUUJH-UHFFFAOYSA-N 1 0 247.357 3.723 20 0 BHADRO CCc1cccc(C[NH2+]CCCCOC(C)C)c1 ZINC000566337389 326035076 /nfs/dbraw/zinc/03/50/76/326035076.db2.gz DYKTXFJZFJQLNL-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)c1C ZINC000566369026 326038173 /nfs/dbraw/zinc/03/81/73/326038173.db2.gz YTFMCDARACKGAA-GXTWGEPZSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CSC2(C)C)c1C ZINC000566369027 326038019 /nfs/dbraw/zinc/03/80/19/326038019.db2.gz YTFMCDARACKGAA-JSGCOSHPSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)c1C ZINC000566369028 326038245 /nfs/dbraw/zinc/03/82/45/326038245.db2.gz YTFMCDARACKGAA-OCCSQVGLSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c1C ZINC000566369029 326038077 /nfs/dbraw/zinc/03/80/77/326038077.db2.gz YTFMCDARACKGAA-TZMCWYRMSA-N 1 0 249.423 3.848 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000566391654 326038726 /nfs/dbraw/zinc/03/87/26/326038726.db2.gz LTHFSSBEASWXRK-DZGCQCFKSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000566391658 326038675 /nfs/dbraw/zinc/03/86/75/326038675.db2.gz LTHFSSBEASWXRK-HIFRSBDPSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000566391659 326038582 /nfs/dbraw/zinc/03/85/82/326038582.db2.gz LTHFSSBEASWXRK-UKRRQHHQSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000566391660 326038465 /nfs/dbraw/zinc/03/84/65/326038465.db2.gz LTHFSSBEASWXRK-ZFWWWQNUSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccon1)C1CCCCC1 ZINC000566394517 326039083 /nfs/dbraw/zinc/03/90/83/326039083.db2.gz NWOZZJNJDHFJNS-NEPJUHHUSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccon1)C1CCCCC1 ZINC000566394520 326039279 /nfs/dbraw/zinc/03/92/79/326039279.db2.gz NWOZZJNJDHFJNS-NWDGAFQWSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccon1)C1CCCCC1 ZINC000566394521 326039060 /nfs/dbraw/zinc/03/90/60/326039060.db2.gz NWOZZJNJDHFJNS-RYUDHWBXSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1ccon1 ZINC000566394522 326039274 /nfs/dbraw/zinc/03/92/74/326039274.db2.gz NWOZZJNJDHFJNS-VXGBXAGGSA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000566398959 326038972 /nfs/dbraw/zinc/03/89/72/326038972.db2.gz DBFHHFOVLNLAEX-BBRMVZONSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000566398960 326039316 /nfs/dbraw/zinc/03/93/16/326039316.db2.gz DBFHHFOVLNLAEX-CJNGLKHVSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000566398961 326038975 /nfs/dbraw/zinc/03/89/75/326038975.db2.gz DBFHHFOVLNLAEX-CZUORRHYSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000566398962 326039272 /nfs/dbraw/zinc/03/92/72/326039272.db2.gz DBFHHFOVLNLAEX-XJKSGUPXSA-N 1 0 243.394 3.570 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000566475632 326054258 /nfs/dbraw/zinc/05/42/58/326054258.db2.gz NNGWUACLAKMFNZ-KBPBESRZSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000566475642 326054036 /nfs/dbraw/zinc/05/40/36/326054036.db2.gz NNGWUACLAKMFNZ-KGLIPLIRSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000566475644 326054168 /nfs/dbraw/zinc/05/41/68/326054168.db2.gz NNGWUACLAKMFNZ-UONOGXRCSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000566475645 326054121 /nfs/dbraw/zinc/05/41/21/326054121.db2.gz NNGWUACLAKMFNZ-ZIAGYGMSSA-N 1 0 246.329 3.538 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000566475935 326054188 /nfs/dbraw/zinc/05/41/88/326054188.db2.gz RCAMCAVUSXGUMQ-GXTWGEPZSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000566475938 326054232 /nfs/dbraw/zinc/05/42/32/326054232.db2.gz RCAMCAVUSXGUMQ-JSGCOSHPSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000566475939 326054275 /nfs/dbraw/zinc/05/42/75/326054275.db2.gz RCAMCAVUSXGUMQ-OCCSQVGLSA-N 1 0 247.386 3.571 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000566475940 326054365 /nfs/dbraw/zinc/05/43/65/326054365.db2.gz RCAMCAVUSXGUMQ-TZMCWYRMSA-N 1 0 247.386 3.571 20 0 BHADRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(C3CCC3)c2)C1 ZINC000566482438 326055680 /nfs/dbraw/zinc/05/56/80/326055680.db2.gz NUKLSRHWMYODMT-GDBMZVCRSA-N 1 0 244.382 3.636 20 0 BHADRO [NH3+][C@H]1CCC[C@@H](Nc2cccc(C3CCC3)c2)C1 ZINC000566482446 326055823 /nfs/dbraw/zinc/05/58/23/326055823.db2.gz NUKLSRHWMYODMT-GOEBONIOSA-N 1 0 244.382 3.636 20 0 BHADRO [NH3+][C@H]1CCC[C@H](Nc2cccc(C3CCC3)c2)C1 ZINC000566482448 326055596 /nfs/dbraw/zinc/05/55/96/326055596.db2.gz NUKLSRHWMYODMT-HOCLYGCPSA-N 1 0 244.382 3.636 20 0 BHADRO [NH3+][C@@H]1CCC[C@H](Nc2cccc(C3CCC3)c2)C1 ZINC000566482451 326056337 /nfs/dbraw/zinc/05/63/37/326056337.db2.gz NUKLSRHWMYODMT-ZBFHGGJFSA-N 1 0 244.382 3.636 20 0 BHADRO CC(C)c1ncc(C[NH2+]C2CC(C)(C)C2)s1 ZINC000566499723 326059109 /nfs/dbraw/zinc/05/91/09/326059109.db2.gz CPLMJHQANQGDOJ-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CCCC12CC2)C(C)(C)C ZINC000566500616 326059761 /nfs/dbraw/zinc/05/97/61/326059761.db2.gz KMYFBZUEORUGMT-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCCC12CC2)C(C)(C)C ZINC000566500619 326059719 /nfs/dbraw/zinc/05/97/19/326059719.db2.gz KMYFBZUEORUGMT-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CCCC12CC2)C(C)(C)C ZINC000566500620 326052126 /nfs/dbraw/zinc/05/21/26/326052126.db2.gz KMYFBZUEORUGMT-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCCC12CC2)C(C)(C)C ZINC000566500621 326052101 /nfs/dbraw/zinc/05/21/01/326052101.db2.gz KMYFBZUEORUGMT-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000566501440 326059763 /nfs/dbraw/zinc/05/97/63/326059763.db2.gz XJKHNBMHAXWCSG-ARLBYUKCSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000566501452 326059578 /nfs/dbraw/zinc/05/95/78/326059578.db2.gz XJKHNBMHAXWCSG-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000566501455 326059634 /nfs/dbraw/zinc/05/96/34/326059634.db2.gz XJKHNBMHAXWCSG-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000566501456 323003679 /nfs/dbraw/zinc/00/36/79/323003679.db2.gz XJKHNBMHAXWCSG-OJLVUWQFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1N(C)C ZINC000566503848 326060133 /nfs/dbraw/zinc/06/01/33/326060133.db2.gz QIZULQVTWVPBSS-GFCCVEGCSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1N(C)C ZINC000566503849 326060219 /nfs/dbraw/zinc/06/02/19/326060219.db2.gz QIZULQVTWVPBSS-LBPRGKRZSA-N 1 0 246.398 3.592 20 0 BHADRO CC1(C)C[N@H+](CCC2CC2)[C@@H]1c1cccs1 ZINC000566519337 326061536 /nfs/dbraw/zinc/06/15/36/326061536.db2.gz CZKJQJOSHMLPOC-CYBMUJFWSA-N 1 0 235.396 3.931 20 0 BHADRO CC1(C)C[N@H+](CCC2CC2)[C@H]1c1cccs1 ZINC000566519342 326061441 /nfs/dbraw/zinc/06/14/41/326061441.db2.gz CZKJQJOSHMLPOC-ZDUSSCGKSA-N 1 0 235.396 3.931 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCCC12CCCCC2 ZINC000566542760 326062530 /nfs/dbraw/zinc/06/25/30/326062530.db2.gz AWSPBMGJOASIAV-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCF)c2sccc21 ZINC000566544277 326062881 /nfs/dbraw/zinc/06/28/81/326062881.db2.gz JVONLFWMWBNTNN-GXSJLCMTSA-N 1 0 227.348 3.636 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCF)c2sccc21 ZINC000566544278 326062586 /nfs/dbraw/zinc/06/25/86/326062586.db2.gz JVONLFWMWBNTNN-KOLCDFICSA-N 1 0 227.348 3.636 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCF)c2sccc21 ZINC000566544279 326062742 /nfs/dbraw/zinc/06/27/42/326062742.db2.gz JVONLFWMWBNTNN-MWLCHTKSSA-N 1 0 227.348 3.636 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCF)c2sccc21 ZINC000566544280 326062657 /nfs/dbraw/zinc/06/26/57/326062657.db2.gz JVONLFWMWBNTNN-ONGXEEELSA-N 1 0 227.348 3.636 20 0 BHADRO CCCCc1nc(C[N@H+](C)C(C)(C)C)cs1 ZINC000566559456 326063741 /nfs/dbraw/zinc/06/37/41/326063741.db2.gz DUHBJMILJRUUHL-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000566561926 323005393 /nfs/dbraw/zinc/00/53/93/323005393.db2.gz XBVWMVUEJSUOCA-CHWSQXEVSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000566561927 323005446 /nfs/dbraw/zinc/00/54/46/323005446.db2.gz XBVWMVUEJSUOCA-OLZOCXBDSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000566561928 323005382 /nfs/dbraw/zinc/00/53/82/323005382.db2.gz XBVWMVUEJSUOCA-QWHCGFSZSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000566561929 323005452 /nfs/dbraw/zinc/00/54/52/323005452.db2.gz XBVWMVUEJSUOCA-STQMWFEESA-N 1 0 239.378 3.970 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000566576240 326065850 /nfs/dbraw/zinc/06/58/50/326065850.db2.gz SGOBTAGGZAPFIA-CYBMUJFWSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000566576246 326065890 /nfs/dbraw/zinc/06/58/90/326065890.db2.gz SGOBTAGGZAPFIA-ZDUSSCGKSA-N 1 0 243.341 3.900 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000566576779 326065988 /nfs/dbraw/zinc/06/59/88/326065988.db2.gz VXCCADUBFDPASC-DZGCQCFKSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000566576780 326065852 /nfs/dbraw/zinc/06/58/52/326065852.db2.gz VXCCADUBFDPASC-HIFRSBDPSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000566576781 326065862 /nfs/dbraw/zinc/06/58/62/326065862.db2.gz VXCCADUBFDPASC-UKRRQHHQSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000566576782 326065971 /nfs/dbraw/zinc/06/59/71/326065971.db2.gz VXCCADUBFDPASC-ZFWWWQNUSA-N 1 0 231.383 3.877 20 0 BHADRO CC1(C[NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000566597118 323006311 /nfs/dbraw/zinc/00/63/11/323006311.db2.gz WAZCOWWNGONNBL-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC000566601731 326067526 /nfs/dbraw/zinc/06/75/26/326067526.db2.gz UMRTUZDOFQOTRB-AWEZNQCLSA-N 1 0 205.345 3.575 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2=CCCCC2)CC1 ZINC000566601732 326067483 /nfs/dbraw/zinc/06/74/83/326067483.db2.gz UMRTUZDOFQOTRB-CQSZACIVSA-N 1 0 205.345 3.575 20 0 BHADRO C[C@H](CC[NH2+]C1(CF)CCC1)c1ccccc1 ZINC000566620946 326068970 /nfs/dbraw/zinc/06/89/70/326068970.db2.gz KBZCEUDAFBKOMA-CYBMUJFWSA-N 1 0 235.346 3.662 20 0 BHADRO C[C@@H](CC[NH2+]C1(CF)CCC1)c1ccccc1 ZINC000566620947 326068911 /nfs/dbraw/zinc/06/89/11/326068911.db2.gz KBZCEUDAFBKOMA-ZDUSSCGKSA-N 1 0 235.346 3.662 20 0 BHADRO C[N@H+](CCC(C)(C)C)C1CCC(F)(F)CC1 ZINC000566670020 326072631 /nfs/dbraw/zinc/07/26/31/326072631.db2.gz JPJHZNDMVNKLCF-UHFFFAOYSA-N 1 0 233.346 3.932 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C1CC(C)(C)C1 ZINC000566688799 326074465 /nfs/dbraw/zinc/07/44/65/326074465.db2.gz BUTDCXQPTNYGFH-LLVKDONJSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C1CC(C)(C)C1 ZINC000566688800 326074656 /nfs/dbraw/zinc/07/46/56/326074656.db2.gz BUTDCXQPTNYGFH-NSHDSACASA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000566691977 326075093 /nfs/dbraw/zinc/07/50/93/326075093.db2.gz MMRLPECUNLQCKX-GFCCVEGCSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000566691978 326075438 /nfs/dbraw/zinc/07/54/38/326075438.db2.gz MMRLPECUNLQCKX-LBPRGKRZSA-N 1 0 235.346 3.792 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CCOC1(C)C)CC(C)(C)C ZINC000566693142 326075491 /nfs/dbraw/zinc/07/54/91/326075491.db2.gz SUGPRMVBKBWRBC-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CCOC1(C)C)CC(C)(C)C ZINC000566693143 326075138 /nfs/dbraw/zinc/07/51/38/326075138.db2.gz SUGPRMVBKBWRBC-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1CCOC1(C)C)CC(C)(C)C ZINC000566693144 326075462 /nfs/dbraw/zinc/07/54/62/326075462.db2.gz SUGPRMVBKBWRBC-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1CCOC1(C)C)CC(C)(C)C ZINC000566693145 326075233 /nfs/dbraw/zinc/07/52/33/326075233.db2.gz SUGPRMVBKBWRBC-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ncccc1C ZINC000566701687 326075922 /nfs/dbraw/zinc/07/59/22/326075922.db2.gz JDQPQCZFOVHYDG-GXTWGEPZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ncccc1C ZINC000566701688 326075689 /nfs/dbraw/zinc/07/56/89/326075689.db2.gz JDQPQCZFOVHYDG-JSGCOSHPSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ncccc1C ZINC000566701689 326075798 /nfs/dbraw/zinc/07/57/98/326075798.db2.gz JDQPQCZFOVHYDG-OCCSQVGLSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ncccc1C ZINC000566701690 326075641 /nfs/dbraw/zinc/07/56/41/326075641.db2.gz JDQPQCZFOVHYDG-TZMCWYRMSA-N 1 0 234.387 3.694 20 0 BHADRO c1ccc(CC[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000566706063 326075876 /nfs/dbraw/zinc/07/58/76/326075876.db2.gz RHEZRFWUQNLJHF-UHFFFAOYSA-N 1 0 243.394 3.885 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)C(C)(C)C ZINC000566736338 326078391 /nfs/dbraw/zinc/07/83/91/326078391.db2.gz VANWIVMVHJHQMM-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+]1C2CCC1CC2 ZINC000566751485 326080501 /nfs/dbraw/zinc/08/05/01/326080501.db2.gz VLNQHULKROUWDV-UHFFFAOYSA-N 1 0 244.382 3.640 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccoc1 ZINC000566752410 326080510 /nfs/dbraw/zinc/08/05/10/326080510.db2.gz PLWYEIYFERVEEE-KCXAZCMYSA-N 1 0 241.334 3.734 20 0 BHADRO C[N@H+](Cc1cc[nH]c1)[C@H]1CCCc2ccccc21 ZINC000566752798 345301656 /nfs/dbraw/zinc/30/16/56/345301656.db2.gz AGGYDCHUNZJTKA-INIZCTEOSA-N 1 0 240.350 3.524 20 0 BHADRO C[N@H+](Cc1cc[nH]c1)[C@@H]1CCCc2ccccc21 ZINC000566752799 345301725 /nfs/dbraw/zinc/30/17/25/345301725.db2.gz AGGYDCHUNZJTKA-MRXNPFEDSA-N 1 0 240.350 3.524 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccsc1 ZINC000566779437 326082263 /nfs/dbraw/zinc/08/22/63/326082263.db2.gz OIIJNXLBUXKETQ-JTQLQIEISA-N 1 0 211.374 3.662 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccsc1 ZINC000566779438 326082257 /nfs/dbraw/zinc/08/22/57/326082257.db2.gz OIIJNXLBUXKETQ-SNVBAGLBSA-N 1 0 211.374 3.662 20 0 BHADRO Cc1cc(Cl)ccc1C[NH+]1CCCCC1 ZINC000566789427 326082611 /nfs/dbraw/zinc/08/26/11/326082611.db2.gz AREUEJDVOWQYCA-UHFFFAOYSA-N 1 0 223.747 3.634 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1ccncc1Cl ZINC000566790863 326082253 /nfs/dbraw/zinc/08/22/53/326082253.db2.gz QMIADOYUGAXHDE-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1ccncc1Cl ZINC000566790870 326081928 /nfs/dbraw/zinc/08/19/28/326081928.db2.gz QMIADOYUGAXHDE-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO CC(C)Cc1ncc(C[N@H+](C)C(C)(C)C)s1 ZINC000566797172 326083646 /nfs/dbraw/zinc/08/36/46/326083646.db2.gz YIOVQNKMOFZMFD-UHFFFAOYSA-N 1 0 240.416 3.572 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(C2CC2)c1 ZINC000566811013 326085387 /nfs/dbraw/zinc/08/53/87/326085387.db2.gz VMXQMRYQSOWKRM-BFQNTYOBSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000566811016 326085555 /nfs/dbraw/zinc/08/55/55/326085555.db2.gz VMXQMRYQSOWKRM-MKBNYLNASA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000566811017 326085582 /nfs/dbraw/zinc/08/55/82/326085582.db2.gz VMXQMRYQSOWKRM-MQIPJXDCSA-N 1 0 229.367 3.871 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(C2CC2)c1 ZINC000566811018 326085544 /nfs/dbraw/zinc/08/55/44/326085544.db2.gz VMXQMRYQSOWKRM-WQGACYEGSA-N 1 0 229.367 3.871 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCc1ccncc1 ZINC000566824492 326086057 /nfs/dbraw/zinc/08/60/57/326086057.db2.gz RYLKLRVSWFUOSL-UHFFFAOYSA-N 1 0 234.387 3.573 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000566867469 326090889 /nfs/dbraw/zinc/09/08/89/326090889.db2.gz XHLOEGWVYKMXKI-UHFFFAOYSA-N 1 0 230.355 3.692 20 0 BHADRO CC(C)CCC[NH2+]CCc1ccc(F)cc1F ZINC000566868105 326090915 /nfs/dbraw/zinc/09/09/15/326090915.db2.gz RHLNOYOSBBZKGU-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC(C(C)C)C(C)C)no1 ZINC000566870485 326090868 /nfs/dbraw/zinc/09/08/68/326090868.db2.gz UOBAAVIEPGEHAI-GFCCVEGCSA-N 1 0 238.375 3.562 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC(C(C)C)C(C)C)no1 ZINC000566870486 326090947 /nfs/dbraw/zinc/09/09/47/326090947.db2.gz UOBAAVIEPGEHAI-LBPRGKRZSA-N 1 0 238.375 3.562 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000566870952 326090544 /nfs/dbraw/zinc/09/05/44/326090544.db2.gz WQHXZDUZTKXOCR-UHFFFAOYSA-N 1 0 239.309 3.902 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000566892964 326091325 /nfs/dbraw/zinc/09/13/25/326091325.db2.gz ITDSBDXNLDRYJU-AWEZNQCLSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000566892965 326091233 /nfs/dbraw/zinc/09/12/33/326091233.db2.gz ITDSBDXNLDRYJU-CQSZACIVSA-N 1 0 233.330 3.591 20 0 BHADRO CC1(C[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000566893582 326091443 /nfs/dbraw/zinc/09/14/43/326091443.db2.gz ZAQQZSIXWUNSDU-UHFFFAOYSA-N 1 0 247.357 3.747 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566895744 326092011 /nfs/dbraw/zinc/09/20/11/326092011.db2.gz YLOARJWCHALDHD-KHMAMNHCSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566895745 326092069 /nfs/dbraw/zinc/09/20/69/326092069.db2.gz YLOARJWCHALDHD-SEBNEYGDSA-N 1 0 239.403 3.501 20 0 BHADRO C[N@H+](CC1CCC1)[C@H]1C=CCCCCC1 ZINC000566903074 326092490 /nfs/dbraw/zinc/09/24/90/326092490.db2.gz GOUHIGNBMCVZLM-AWEZNQCLSA-N 1 0 207.361 3.607 20 0 BHADRO C[N@H+](CC1CCC1)[C@@H]1C=CCCCCC1 ZINC000566903075 326092311 /nfs/dbraw/zinc/09/23/11/326092311.db2.gz GOUHIGNBMCVZLM-CQSZACIVSA-N 1 0 207.361 3.607 20 0 BHADRO FCCCCC[N@H+](C1CC1)C1CCCC1 ZINC000566906551 326092395 /nfs/dbraw/zinc/09/23/95/326092395.db2.gz ZMXOAYJAVJECLS-UHFFFAOYSA-N 1 0 213.340 3.533 20 0 BHADRO CC(C)C(C[NH+]1CCC(C(F)F)CC1)C(C)C ZINC000566906559 323024753 /nfs/dbraw/zinc/02/47/53/323024753.db2.gz ZXVBRHILFKKTMN-UHFFFAOYSA-N 1 0 247.373 3.892 20 0 BHADRO CCO[C@@H](C[NH2+]CCCC(C)C)c1ccccc1 ZINC000566926496 326094885 /nfs/dbraw/zinc/09/48/85/326094885.db2.gz TXBQVFCYIWKCEJ-INIZCTEOSA-N 1 0 249.398 3.790 20 0 BHADRO CCO[C@H](C[NH2+]CCCC(C)C)c1ccccc1 ZINC000566926497 326095148 /nfs/dbraw/zinc/09/51/48/326095148.db2.gz TXBQVFCYIWKCEJ-MRXNPFEDSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000566933083 326095844 /nfs/dbraw/zinc/09/58/44/326095844.db2.gz VIEVRONPCYVBOA-ARFHVFGLSA-N 1 0 249.373 3.878 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000566933084 326095751 /nfs/dbraw/zinc/09/57/51/326095751.db2.gz VIEVRONPCYVBOA-BZUAXINKSA-N 1 0 249.373 3.878 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000566933085 326095652 /nfs/dbraw/zinc/09/56/52/326095652.db2.gz VIEVRONPCYVBOA-OAGGEKHMSA-N 1 0 249.373 3.878 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000566933086 326095736 /nfs/dbraw/zinc/09/57/36/326095736.db2.gz VIEVRONPCYVBOA-XHSDSOJGSA-N 1 0 249.373 3.878 20 0 BHADRO C[C@@H]1C[N@H+](CCC2CCCCC2)CCC1(F)F ZINC000566943455 326095704 /nfs/dbraw/zinc/09/57/04/326095704.db2.gz RLLCGQCYVBWOSR-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1C[N@H+](CCC2CCCCC2)CCC1(F)F ZINC000566943456 326095806 /nfs/dbraw/zinc/09/58/06/326095806.db2.gz RLLCGQCYVBWOSR-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO c1ccc(CC2([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000566961300 326097350 /nfs/dbraw/zinc/09/73/50/326097350.db2.gz MQVWITPUGYEOOS-ARFHVFGLSA-N 1 0 241.378 3.540 20 0 BHADRO c1ccc(CC2([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000566961301 326097251 /nfs/dbraw/zinc/09/72/51/326097251.db2.gz MQVWITPUGYEOOS-XHSDSOJGSA-N 1 0 241.378 3.540 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000566973263 326098355 /nfs/dbraw/zinc/09/83/55/326098355.db2.gz SSSSPTNCPZJYQF-AAEUAGOBSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000566973264 326098497 /nfs/dbraw/zinc/09/84/97/326098497.db2.gz SSSSPTNCPZJYQF-DGCLKSJQSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000566973265 326098561 /nfs/dbraw/zinc/09/85/61/326098561.db2.gz SSSSPTNCPZJYQF-WCQYABFASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000566973266 326098233 /nfs/dbraw/zinc/09/82/33/326098233.db2.gz SSSSPTNCPZJYQF-YPMHNXCESA-N 1 0 225.351 3.580 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000566991447 326100483 /nfs/dbraw/zinc/10/04/83/326100483.db2.gz GCVQDBVFRVMNAF-GDBMZVCRSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000566991448 326100621 /nfs/dbraw/zinc/10/06/21/326100621.db2.gz GCVQDBVFRVMNAF-GOEBONIOSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000566991449 326100628 /nfs/dbraw/zinc/10/06/28/326100628.db2.gz GCVQDBVFRVMNAF-HOCLYGCPSA-N 1 0 245.341 3.724 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000566991450 326100525 /nfs/dbraw/zinc/10/05/25/326100525.db2.gz GCVQDBVFRVMNAF-ZBFHGGJFSA-N 1 0 245.341 3.724 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000566996681 326100595 /nfs/dbraw/zinc/10/05/95/326100595.db2.gz KYPBQGYQYLAZJA-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000566996682 326100641 /nfs/dbraw/zinc/10/06/41/326100641.db2.gz KYPBQGYQYLAZJA-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000566996683 326100764 /nfs/dbraw/zinc/10/07/64/326100764.db2.gz KYPBQGYQYLAZJA-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000566996684 326100647 /nfs/dbraw/zinc/10/06/47/326100647.db2.gz KYPBQGYQYLAZJA-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000567001612 326100682 /nfs/dbraw/zinc/10/06/82/326100682.db2.gz SYECLDWKDCXIDK-HUBLWGQQSA-N 1 0 233.355 3.677 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000567001615 326100512 /nfs/dbraw/zinc/10/05/12/326100512.db2.gz SYECLDWKDCXIDK-SLEUVZQESA-N 1 0 233.355 3.677 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000567001616 326100517 /nfs/dbraw/zinc/10/05/17/326100517.db2.gz SYECLDWKDCXIDK-YWPYICTPSA-N 1 0 233.355 3.677 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000567001617 326100838 /nfs/dbraw/zinc/10/08/38/326100838.db2.gz SYECLDWKDCXIDK-ZOWXZIJZSA-N 1 0 233.355 3.677 20 0 BHADRO c1ccc(C[C@H]2C[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000567007321 398124249 /nfs/dbraw/zinc/12/42/49/398124249.db2.gz LIICBDUMQDUVLE-DOTOQJQBSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000567007322 398124606 /nfs/dbraw/zinc/12/46/06/398124606.db2.gz LIICBDUMQDUVLE-NVXWUHKLSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@H]2C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000567007323 398124233 /nfs/dbraw/zinc/12/42/33/398124233.db2.gz LIICBDUMQDUVLE-RDJZCZTQSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000567007324 398124472 /nfs/dbraw/zinc/12/44/72/398124472.db2.gz LIICBDUMQDUVLE-WBVHZDCISA-N 1 0 243.394 3.930 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000567034426 326104286 /nfs/dbraw/zinc/10/42/86/326104286.db2.gz BDTCSHYEGMEZSG-UMVBOHGHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C1CCCCC1 ZINC000567034427 326104237 /nfs/dbraw/zinc/10/42/37/326104237.db2.gz BDTCSHYEGMEZSG-VNHYZAJKSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567063890 326109456 /nfs/dbraw/zinc/10/94/56/326109456.db2.gz GCROOPFXERURKC-AYIQCDPPSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H](C)c1ccccc1 ZINC000567063891 326109503 /nfs/dbraw/zinc/10/95/03/326109503.db2.gz GCROOPFXERURKC-PNDGYWDASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H](C)c1ccccc1 ZINC000567063892 326109867 /nfs/dbraw/zinc/10/98/67/326109867.db2.gz GCROOPFXERURKC-XLTGGDBASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567063893 326109822 /nfs/dbraw/zinc/10/98/22/326109822.db2.gz GCROOPFXERURKC-XSIBGMEISA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567063972 326109567 /nfs/dbraw/zinc/10/95/67/326109567.db2.gz VJOCCRZXSBBNEC-HZMVEIRTSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567063973 326109795 /nfs/dbraw/zinc/10/97/95/326109795.db2.gz VJOCCRZXSBBNEC-MWDXBVQZSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567063974 326109850 /nfs/dbraw/zinc/10/98/50/326109850.db2.gz VJOCCRZXSBBNEC-NXOAAHMSSA-N 1 0 243.394 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567063975 326109814 /nfs/dbraw/zinc/10/98/14/326109814.db2.gz VJOCCRZXSBBNEC-YLFCFFPRSA-N 1 0 243.394 3.786 20 0 BHADRO CCC(C)(CC)[NH2+]CC1Cc2ccccc2C1 ZINC000567091374 326113836 /nfs/dbraw/zinc/11/38/36/326113836.db2.gz VCAVBLMQUDGBBS-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567094285 326114277 /nfs/dbraw/zinc/11/42/77/326114277.db2.gz SWQMYQWKKAQCSP-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567094286 326114410 /nfs/dbraw/zinc/11/44/10/326114410.db2.gz SWQMYQWKKAQCSP-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)c(C)c1 ZINC000567146077 490206273 /nfs/dbraw/zinc/20/62/73/490206273.db2.gz PSLFKYGABYVOSU-AWEZNQCLSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)c(C)c1 ZINC000567146078 490207135 /nfs/dbraw/zinc/20/71/35/490207135.db2.gz PSLFKYGABYVOSU-CQSZACIVSA-N 1 0 247.382 3.672 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(CSC)cc1)C1CC1 ZINC000567152831 326125285 /nfs/dbraw/zinc/12/52/85/326125285.db2.gz ZHHXREMDEMMMNE-HNNXBMFYSA-N 1 0 249.423 3.828 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(CSC)cc1)C1CC1 ZINC000567152832 326125088 /nfs/dbraw/zinc/12/50/88/326125088.db2.gz ZHHXREMDEMMMNE-OAHLLOKOSA-N 1 0 249.423 3.828 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000567166218 326127148 /nfs/dbraw/zinc/12/71/48/326127148.db2.gz TYISUOGTIHYXJX-IPYPFGDCSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000567166219 326127244 /nfs/dbraw/zinc/12/72/44/326127244.db2.gz TYISUOGTIHYXJX-NFAWXSAZSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000567166220 352226148 /nfs/dbraw/zinc/22/61/48/352226148.db2.gz TYISUOGTIHYXJX-UMVBOHGHSA-N 1 0 233.330 3.544 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000567166221 352226743 /nfs/dbraw/zinc/22/67/43/352226743.db2.gz TYISUOGTIHYXJX-VNHYZAJKSA-N 1 0 233.330 3.544 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)o1 ZINC000567180543 326130945 /nfs/dbraw/zinc/13/09/45/326130945.db2.gz MJCKSTMNCOAZOA-JTQLQIEISA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)o1 ZINC000567180544 326131249 /nfs/dbraw/zinc/13/12/49/326131249.db2.gz MJCKSTMNCOAZOA-SNVBAGLBSA-N 1 0 221.344 3.681 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000567182346 326131652 /nfs/dbraw/zinc/13/16/52/326131652.db2.gz GWDVULWIJYTSII-DZGCQCFKSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000567182347 326131547 /nfs/dbraw/zinc/13/15/47/326131547.db2.gz GWDVULWIJYTSII-HIFRSBDPSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000567182348 326131793 /nfs/dbraw/zinc/13/17/93/326131793.db2.gz GWDVULWIJYTSII-UKRRQHHQSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000567182349 326131534 /nfs/dbraw/zinc/13/15/34/326131534.db2.gz GWDVULWIJYTSII-ZFWWWQNUSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000567189656 326132404 /nfs/dbraw/zinc/13/24/04/326132404.db2.gz OHCYXCGOVQTAJM-COXVUDFISA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000567189657 326132316 /nfs/dbraw/zinc/13/23/16/326132316.db2.gz OHCYXCGOVQTAJM-KBRIMQKVSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000567189658 326132094 /nfs/dbraw/zinc/13/20/94/326132094.db2.gz OHCYXCGOVQTAJM-XOKHGSTOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000567189659 326132067 /nfs/dbraw/zinc/13/20/67/326132067.db2.gz OHCYXCGOVQTAJM-XYPHTWIQSA-N 1 0 243.394 3.786 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)C(C)(C)CC)cs1 ZINC000567191759 326132865 /nfs/dbraw/zinc/13/28/65/326132865.db2.gz KVGHSDFWTLQZPH-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)C(C)(C)CC)cs1 ZINC000567191760 326132929 /nfs/dbraw/zinc/13/29/29/326132929.db2.gz KVGHSDFWTLQZPH-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000567201237 326134471 /nfs/dbraw/zinc/13/44/71/326134471.db2.gz PJFUASGNOCTYHP-BFQNTYOBSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000567201238 326134747 /nfs/dbraw/zinc/13/47/47/326134747.db2.gz PJFUASGNOCTYHP-HSMVNMDESA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000567201239 326134680 /nfs/dbraw/zinc/13/46/80/326134680.db2.gz PJFUASGNOCTYHP-WQGACYEGSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000567201240 326134237 /nfs/dbraw/zinc/13/42/37/326134237.db2.gz PJFUASGNOCTYHP-XHBSWPGZSA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567234999 326148051 /nfs/dbraw/zinc/14/80/51/326148051.db2.gz VWQLVDGRVIDGJI-LOWDOPEQSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567235000 326148102 /nfs/dbraw/zinc/14/81/02/326148102.db2.gz VWQLVDGRVIDGJI-LPWJVIDDSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000567235001 326147818 /nfs/dbraw/zinc/14/78/18/326147818.db2.gz VWQLVDGRVIDGJI-RVMXOQNASA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000567235002 326147712 /nfs/dbraw/zinc/14/77/12/326147712.db2.gz VWQLVDGRVIDGJI-XQHKEYJVSA-N 1 0 227.367 3.681 20 0 BHADRO Cc1cncc(C[NH2+]CCC2CCCCCC2)c1 ZINC000567255048 326151358 /nfs/dbraw/zinc/15/13/58/326151358.db2.gz HFSBVTKXYPCKIU-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000567268819 326154080 /nfs/dbraw/zinc/15/40/80/326154080.db2.gz RWLDBRCYSQTFNJ-FZKCQIBNSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000567268820 326154015 /nfs/dbraw/zinc/15/40/15/326154015.db2.gz RWLDBRCYSQTFNJ-JJXSEGSLSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000567268821 326154047 /nfs/dbraw/zinc/15/40/47/326154047.db2.gz RWLDBRCYSQTFNJ-JONQDZQNSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000567268822 326154146 /nfs/dbraw/zinc/15/41/46/326154146.db2.gz RWLDBRCYSQTFNJ-VGWMRTNUSA-N 1 0 247.357 3.660 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1F ZINC000567269025 326153872 /nfs/dbraw/zinc/15/38/72/326153872.db2.gz ZXKHIMRHGXXVFY-CHWSQXEVSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1F ZINC000567269030 326154022 /nfs/dbraw/zinc/15/40/22/326154022.db2.gz ZXKHIMRHGXXVFY-OLZOCXBDSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1F ZINC000567269031 326154169 /nfs/dbraw/zinc/15/41/69/326154169.db2.gz ZXKHIMRHGXXVFY-QWHCGFSZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1F ZINC000567269032 326154122 /nfs/dbraw/zinc/15/41/22/326154122.db2.gz ZXKHIMRHGXXVFY-STQMWFEESA-N 1 0 239.309 3.504 20 0 BHADRO Cc1nsc(C)c1C[NH2+][C@H](C)c1ccccc1 ZINC000567286570 326153948 /nfs/dbraw/zinc/15/39/48/326153948.db2.gz OQYNYYFOXYEUNF-SNVBAGLBSA-N 1 0 246.379 3.611 20 0 BHADRO c1ccc([C@H]2C[C@H]([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000567330967 326163792 /nfs/dbraw/zinc/16/37/92/326163792.db2.gz FMIFPGHLDVNRMJ-WKILWMFISA-N 1 0 241.378 3.711 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCCCSC ZINC000567341422 326166750 /nfs/dbraw/zinc/16/67/50/326166750.db2.gz HVDQFYPYEZFVTN-GFCCVEGCSA-N 1 0 231.449 3.934 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCCCSC ZINC000567341423 326166780 /nfs/dbraw/zinc/16/67/80/326166780.db2.gz HVDQFYPYEZFVTN-LBPRGKRZSA-N 1 0 231.449 3.934 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000567344518 326168504 /nfs/dbraw/zinc/16/85/04/326168504.db2.gz BZLAWGCWNBGMJP-CQDKDKBSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000567344519 326168489 /nfs/dbraw/zinc/16/84/89/326168489.db2.gz BZLAWGCWNBGMJP-UGFHNGPFSA-N 1 0 249.423 3.705 20 0 BHADRO C[NH2+]CCSCc1c(C)ccc2ccccc21 ZINC000567350005 326171011 /nfs/dbraw/zinc/17/10/11/326171011.db2.gz MEYIAPRIIOBJMX-UHFFFAOYSA-N 1 0 245.391 3.601 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCc1ncc(C)cc1C ZINC000567381272 326179678 /nfs/dbraw/zinc/17/96/78/326179678.db2.gz PQFFSZRTXKJQNG-HNNXBMFYSA-N 1 0 248.414 3.751 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCc1ncc(C)cc1C ZINC000567381273 326179602 /nfs/dbraw/zinc/17/96/02/326179602.db2.gz PQFFSZRTXKJQNG-OAHLLOKOSA-N 1 0 248.414 3.751 20 0 BHADRO CC1(C)CC([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000567408876 323128167 /nfs/dbraw/zinc/12/81/67/323128167.db2.gz HGGJCLMVDQTDTD-ARJAWSKDSA-N 1 0 233.330 3.617 20 0 BHADRO CC1(C)CC([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000567408877 323128107 /nfs/dbraw/zinc/12/81/07/323128107.db2.gz HGGJCLMVDQTDTD-ONEGZZNKSA-N 1 0 233.330 3.617 20 0 BHADRO Cc1cc(OCc2ccccc2)c(C)c(C)[nH+]1 ZINC000567409460 326185674 /nfs/dbraw/zinc/18/56/74/326185674.db2.gz CPBSKUDDAFYRRN-UHFFFAOYSA-N 1 0 227.307 3.586 20 0 BHADRO Fc1ccc(/C=C/C[NH+]2C3CCC2CC3)cc1F ZINC000567428685 326188556 /nfs/dbraw/zinc/18/85/56/326188556.db2.gz NJVIRRVSZMPIOR-OWOJBTEDSA-N 1 0 249.304 3.605 20 0 BHADRO Fc1ccc(/C=C\C[NH+]2C3CCC2CC3)cc1F ZINC000567428686 326188624 /nfs/dbraw/zinc/18/86/24/326188624.db2.gz NJVIRRVSZMPIOR-UPHRSURJSA-N 1 0 249.304 3.605 20 0 BHADRO C1CC1[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000567438617 326190806 /nfs/dbraw/zinc/19/08/06/326190806.db2.gz CECXODZJAPEYSP-CABCVRRESA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000567438618 326190849 /nfs/dbraw/zinc/19/08/49/326190849.db2.gz CECXODZJAPEYSP-GJZGRUSLSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000567438619 326190780 /nfs/dbraw/zinc/19/07/80/326190780.db2.gz CECXODZJAPEYSP-HUUCEWRRSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000567438620 326191118 /nfs/dbraw/zinc/19/11/18/326191118.db2.gz CECXODZJAPEYSP-LSDHHAIUSA-N 1 0 233.399 3.878 20 0 BHADRO COc1cccc2c1CCC[C@@H]2[NH2+]CCC(C)C ZINC000567449234 326194326 /nfs/dbraw/zinc/19/43/26/326194326.db2.gz WOPHMJCWRPRFJA-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO COc1cccc2c1CCC[C@H]2[NH2+]CCC(C)C ZINC000567449235 326194406 /nfs/dbraw/zinc/19/44/06/326194406.db2.gz WOPHMJCWRPRFJA-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO Cc1ccc(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000567451045 326194619 /nfs/dbraw/zinc/19/46/19/326194619.db2.gz ITNDSFPLPITTAX-UHFFFAOYSA-N 1 0 235.758 3.775 20 0 BHADRO CCC1(C)CC[NH+](CCCCCF)CC1 ZINC000567457029 326196576 /nfs/dbraw/zinc/19/65/76/326196576.db2.gz VVPMMVPNDIRPGK-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@H]1CC[C@H]1C)C1CC1 ZINC000567457603 326196355 /nfs/dbraw/zinc/19/63/55/326196355.db2.gz ZEBHYJQMDDZHIW-COXVUDFISA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CC1 ZINC000567457604 326196496 /nfs/dbraw/zinc/19/64/96/326196496.db2.gz ZEBHYJQMDDZHIW-JQFCIGGWSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CC1 ZINC000567457605 326196549 /nfs/dbraw/zinc/19/65/49/326196549.db2.gz ZEBHYJQMDDZHIW-XKQJLSEDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CC1 ZINC000567457606 326196454 /nfs/dbraw/zinc/19/64/54/326196454.db2.gz ZEBHYJQMDDZHIW-XYPHTWIQSA-N 1 0 243.394 3.704 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000567470561 326198958 /nfs/dbraw/zinc/19/89/58/326198958.db2.gz FYANFZNCBYFWFO-OVUXIIJLSA-N 1 0 233.330 3.570 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000567470562 326199067 /nfs/dbraw/zinc/19/90/67/326199067.db2.gz FYANFZNCBYFWFO-PNPSXAPQSA-N 1 0 233.330 3.570 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000567470563 326199232 /nfs/dbraw/zinc/19/92/32/326199232.db2.gz FYANFZNCBYFWFO-VZLFFANISA-N 1 0 233.330 3.570 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000567470564 326199250 /nfs/dbraw/zinc/19/92/50/326199250.db2.gz FYANFZNCBYFWFO-ZRJDUIELSA-N 1 0 233.330 3.570 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000567493606 326204217 /nfs/dbraw/zinc/20/42/17/326204217.db2.gz FZFMRITWMOXUDC-GRZMOONWSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)s1 ZINC000567501386 324902055 /nfs/dbraw/zinc/90/20/55/324902055.db2.gz PSVASJPTOXIIIM-QJPTWQEYSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)s1 ZINC000567501387 324902053 /nfs/dbraw/zinc/90/20/53/324902053.db2.gz PSVASJPTOXIIIM-SDDRHHMPSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)s1 ZINC000567501388 388808603 /nfs/dbraw/zinc/80/86/03/388808603.db2.gz PSVASJPTOXIIIM-SRVKXCTJSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)s1 ZINC000567501389 324901801 /nfs/dbraw/zinc/90/18/01/324901801.db2.gz PSVASJPTOXIIIM-TUAOUCFPSA-N 1 0 241.375 3.988 20 0 BHADRO C[N@H+](CCCc1ccccc1Cl)CC1CC1 ZINC000567512922 326207621 /nfs/dbraw/zinc/20/76/21/326207621.db2.gz OXPMORQUSMJOPQ-UHFFFAOYSA-N 1 0 237.774 3.614 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000567513850 326208163 /nfs/dbraw/zinc/20/81/63/326208163.db2.gz MWLATYCZKVFVJG-DZGCQCFKSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000567513851 326208125 /nfs/dbraw/zinc/20/81/25/326208125.db2.gz MWLATYCZKVFVJG-HIFRSBDPSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000567513852 326208455 /nfs/dbraw/zinc/20/84/55/326208455.db2.gz MWLATYCZKVFVJG-UKRRQHHQSA-N 1 0 215.340 3.646 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000567513853 326208157 /nfs/dbraw/zinc/20/81/57/326208157.db2.gz MWLATYCZKVFVJG-ZFWWWQNUSA-N 1 0 215.340 3.646 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000567522372 326210274 /nfs/dbraw/zinc/21/02/74/326210274.db2.gz NNZYTEGBEOZILG-DOMZBBRYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000567522373 326210251 /nfs/dbraw/zinc/21/02/51/326210251.db2.gz NNZYTEGBEOZILG-IUODEOHRSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000567522374 326210316 /nfs/dbraw/zinc/21/03/16/326210316.db2.gz NNZYTEGBEOZILG-SWLSCSKDSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000567522375 326210042 /nfs/dbraw/zinc/21/00/42/326210042.db2.gz NNZYTEGBEOZILG-WFASDCNBSA-N 1 0 247.357 3.852 20 0 BHADRO CC1(C)CC([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000567522563 326209974 /nfs/dbraw/zinc/20/99/74/326209974.db2.gz UVKKTJXCRDXHOY-HNNXBMFYSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000567522564 326210068 /nfs/dbraw/zinc/21/00/68/326210068.db2.gz UVKKTJXCRDXHOY-OAHLLOKOSA-N 1 0 244.382 3.701 20 0 BHADRO COCC(C)(C)CCC[NH2+]Cc1cccc(C)c1 ZINC000567541819 411298633 /nfs/dbraw/zinc/29/86/33/411298633.db2.gz QOLHJEKHZFPZDT-UHFFFAOYSA-N 1 0 249.398 3.537 20 0 BHADRO CCC(CC)(CC)C[N@H+](C)CCc1ccccn1 ZINC000567547769 326214651 /nfs/dbraw/zinc/21/46/51/326214651.db2.gz FFEBQIIUWHHEHO-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C2(C)CC2)CC1 ZINC000567558104 326216714 /nfs/dbraw/zinc/21/67/14/326216714.db2.gz USRSRKQNSYXVDI-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C2(C)CC2)CC1 ZINC000567558105 326216421 /nfs/dbraw/zinc/21/64/21/326216421.db2.gz USRSRKQNSYXVDI-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000567560129 326217127 /nfs/dbraw/zinc/21/71/27/326217127.db2.gz VBOVYQSKXYAUHA-AWEZNQCLSA-N 1 0 233.330 3.763 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000567560130 326216877 /nfs/dbraw/zinc/21/68/77/326216877.db2.gz VBOVYQSKXYAUHA-CQSZACIVSA-N 1 0 233.330 3.763 20 0 BHADRO c1cc(C2CC2)ccc1C[NH+]1C2CCC1CC2 ZINC000567582814 326222441 /nfs/dbraw/zinc/22/24/41/326222441.db2.gz GVSAKVYAZUUOKV-UHFFFAOYSA-N 1 0 227.351 3.691 20 0 BHADRO Clc1cc2c(s1)CC[N@H+](CCC1CC1)C2 ZINC000567584839 326222907 /nfs/dbraw/zinc/22/29/07/326222907.db2.gz AIHNRSNOOUUDKE-UHFFFAOYSA-N 1 0 241.787 3.560 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000567588477 326224133 /nfs/dbraw/zinc/22/41/33/326224133.db2.gz GWUFDYJBUGFRJT-CABCVRRESA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000567588478 326224252 /nfs/dbraw/zinc/22/42/52/326224252.db2.gz GWUFDYJBUGFRJT-GJZGRUSLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000567588479 326224052 /nfs/dbraw/zinc/22/40/52/326224052.db2.gz GWUFDYJBUGFRJT-HUUCEWRRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000567588480 326223939 /nfs/dbraw/zinc/22/39/39/326223939.db2.gz GWUFDYJBUGFRJT-LSDHHAIUSA-N 1 0 246.398 3.694 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000567628774 326232907 /nfs/dbraw/zinc/23/29/07/326232907.db2.gz ZBVNTCBUHUUCRG-AAEUAGOBSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000567628775 326232853 /nfs/dbraw/zinc/23/28/53/326232853.db2.gz ZBVNTCBUHUUCRG-DGCLKSJQSA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000567628776 326232740 /nfs/dbraw/zinc/23/27/40/326232740.db2.gz ZBVNTCBUHUUCRG-WCQYABFASA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000567628777 326232584 /nfs/dbraw/zinc/23/25/84/326232584.db2.gz ZBVNTCBUHUUCRG-YPMHNXCESA-N 1 0 227.367 3.683 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000567632825 326234951 /nfs/dbraw/zinc/23/49/51/326234951.db2.gz BPPWHMWDIDCPTM-CVEARBPZSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000567632826 326234961 /nfs/dbraw/zinc/23/49/61/326234961.db2.gz BPPWHMWDIDCPTM-HOTGVXAUSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000567632827 326235067 /nfs/dbraw/zinc/23/50/67/326235067.db2.gz BPPWHMWDIDCPTM-HZPDHXFCSA-N 1 0 243.394 3.958 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000567632828 326235246 /nfs/dbraw/zinc/23/52/46/326235246.db2.gz BPPWHMWDIDCPTM-JKSUJKDBSA-N 1 0 243.394 3.958 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000567632969 326235779 /nfs/dbraw/zinc/23/57/79/326235779.db2.gz IKNHFZLAAHGESJ-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000567632970 326235543 /nfs/dbraw/zinc/23/55/43/326235543.db2.gz IKNHFZLAAHGESJ-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000567632971 326232626 /nfs/dbraw/zinc/23/26/26/326232626.db2.gz IKNHFZLAAHGESJ-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000567632972 326232891 /nfs/dbraw/zinc/23/28/91/326232891.db2.gz IKNHFZLAAHGESJ-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]1C[N@H+](CCCCCF)[C@H]1c1ccccc1 ZINC000567633542 326235683 /nfs/dbraw/zinc/23/56/83/326235683.db2.gz CRXSHILUDVXCGP-DZGCQCFKSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@@H]1c1ccccc1 ZINC000567633543 326235664 /nfs/dbraw/zinc/23/56/64/326235664.db2.gz CRXSHILUDVXCGP-HIFRSBDPSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)[C@H]1c1ccccc1 ZINC000567633544 326235757 /nfs/dbraw/zinc/23/57/57/326235757.db2.gz CRXSHILUDVXCGP-UKRRQHHQSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@H]1C[N@H+](CCCCCF)[C@@H]1c1ccccc1 ZINC000567633545 326235782 /nfs/dbraw/zinc/23/57/82/326235782.db2.gz CRXSHILUDVXCGP-ZFWWWQNUSA-N 1 0 235.346 3.819 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000567634504 326235748 /nfs/dbraw/zinc/23/57/48/326235748.db2.gz LCWRCZDPONHQIP-HNNXBMFYSA-N 1 0 229.367 3.666 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000567634505 326235851 /nfs/dbraw/zinc/23/58/51/326235851.db2.gz LCWRCZDPONHQIP-OAHLLOKOSA-N 1 0 229.367 3.666 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccs1 ZINC000567651125 326238859 /nfs/dbraw/zinc/23/88/59/326238859.db2.gz HSBSGEBNJQJKBQ-GHMZBOCLSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccs1 ZINC000567651126 326238441 /nfs/dbraw/zinc/23/84/41/326238441.db2.gz HSBSGEBNJQJKBQ-MNOVXSKESA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccs1 ZINC000567651127 326238823 /nfs/dbraw/zinc/23/88/23/326238823.db2.gz HSBSGEBNJQJKBQ-QWRGUYRKSA-N 1 0 209.358 3.511 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccs1 ZINC000567651128 326238816 /nfs/dbraw/zinc/23/88/16/326238816.db2.gz HSBSGEBNJQJKBQ-WDEREUQCSA-N 1 0 209.358 3.511 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)c1ncccc1C ZINC000567653271 326239328 /nfs/dbraw/zinc/23/93/28/326239328.db2.gz PTMARMSPCIIYAH-CYBMUJFWSA-N 1 0 248.414 3.693 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)c1ncccc1C ZINC000567653272 326239251 /nfs/dbraw/zinc/23/92/51/326239251.db2.gz PTMARMSPCIIYAH-ZDUSSCGKSA-N 1 0 248.414 3.693 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000567703302 326248241 /nfs/dbraw/zinc/24/82/41/326248241.db2.gz XGXWEPQNOOUXPU-JTQLQIEISA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000567703303 326248304 /nfs/dbraw/zinc/24/83/04/326248304.db2.gz XGXWEPQNOOUXPU-SNVBAGLBSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)(C)CCCSCC1CC[NH2+]CC1 ZINC000567731437 326252410 /nfs/dbraw/zinc/25/24/10/326252410.db2.gz WMQZQBQONYRAKE-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CC[C@@H](SCC[NH2+]C)c1ccc(Cl)cc1 ZINC000567808205 323084826 /nfs/dbraw/zinc/08/48/26/323084826.db2.gz IZZLAKMYEXYFQY-GFCCVEGCSA-N 1 0 243.803 3.744 20 0 BHADRO CC[C@H](SCC[NH2+]C)c1ccc(Cl)cc1 ZINC000567808206 323084800 /nfs/dbraw/zinc/08/48/00/323084800.db2.gz IZZLAKMYEXYFQY-LBPRGKRZSA-N 1 0 243.803 3.744 20 0 BHADRO C1=C[C@H](SCC2CC[NH2+]CC2)CCCCC1 ZINC000567809988 326260953 /nfs/dbraw/zinc/26/09/53/326260953.db2.gz IFHRFNXLSMCNDQ-AWEZNQCLSA-N 1 0 239.428 3.608 20 0 BHADRO C1=C[C@@H](SCC2CC[NH2+]CC2)CCCCC1 ZINC000567809989 326260985 /nfs/dbraw/zinc/26/09/85/326260985.db2.gz IFHRFNXLSMCNDQ-CQSZACIVSA-N 1 0 239.428 3.608 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000567853044 326271239 /nfs/dbraw/zinc/27/12/39/326271239.db2.gz ARJKMXTVWSCHIG-BDAKNGLRSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000567853045 326271164 /nfs/dbraw/zinc/27/11/64/326271164.db2.gz ARJKMXTVWSCHIG-DTWKUNHWSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000567853046 326271233 /nfs/dbraw/zinc/27/12/33/326271233.db2.gz ARJKMXTVWSCHIG-IUCAKERBSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000567853047 326271039 /nfs/dbraw/zinc/27/10/39/326271039.db2.gz ARJKMXTVWSCHIG-RKDXNWHRSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000567853448 326271109 /nfs/dbraw/zinc/27/11/09/326271109.db2.gz BGLZUJBIOXHFHQ-NEPJUHHUSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000567853449 326271065 /nfs/dbraw/zinc/27/10/65/326271065.db2.gz BGLZUJBIOXHFHQ-NWDGAFQWSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000567853450 326271217 /nfs/dbraw/zinc/27/12/17/326271217.db2.gz BGLZUJBIOXHFHQ-RYUDHWBXSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000567853451 326271317 /nfs/dbraw/zinc/27/13/17/326271317.db2.gz BGLZUJBIOXHFHQ-VXGBXAGGSA-N 1 0 241.737 3.710 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567853594 323093087 /nfs/dbraw/zinc/09/30/87/323093087.db2.gz HFFJDSLUFWHHIX-JYGGGOIPSA-N 1 0 247.357 3.960 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567853595 323093049 /nfs/dbraw/zinc/09/30/49/323093049.db2.gz HFFJDSLUFWHHIX-LSALWYQZSA-N 1 0 247.357 3.960 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567853596 323092987 /nfs/dbraw/zinc/09/29/87/323092987.db2.gz HFFJDSLUFWHHIX-ROCUKZSVSA-N 1 0 247.357 3.960 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567853597 323093004 /nfs/dbraw/zinc/09/30/04/323093004.db2.gz HFFJDSLUFWHHIX-WLDSXTBVSA-N 1 0 247.357 3.960 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567857424 326272135 /nfs/dbraw/zinc/27/21/35/326272135.db2.gz FFSFGZQAANZPOC-QJPTWQEYSA-N 1 0 215.356 3.681 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567857425 326272056 /nfs/dbraw/zinc/27/20/56/326272056.db2.gz FFSFGZQAANZPOC-SDDRHHMPSA-N 1 0 215.356 3.681 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000567857426 326272090 /nfs/dbraw/zinc/27/20/90/326272090.db2.gz FFSFGZQAANZPOC-SRVKXCTJSA-N 1 0 215.356 3.681 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000567857427 326272014 /nfs/dbraw/zinc/27/20/14/326272014.db2.gz FFSFGZQAANZPOC-TUAOUCFPSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccs1 ZINC000567857621 326271958 /nfs/dbraw/zinc/27/19/58/326271958.db2.gz JTQCRQXGDIEEDF-AXFHLTTASA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccs1 ZINC000567857622 326271906 /nfs/dbraw/zinc/27/19/06/326271906.db2.gz JTQCRQXGDIEEDF-DCAQKATOSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccs1 ZINC000567857623 326272096 /nfs/dbraw/zinc/27/20/96/326272096.db2.gz JTQCRQXGDIEEDF-GARJFASQSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccs1 ZINC000567857624 326272178 /nfs/dbraw/zinc/27/21/78/326272178.db2.gz JTQCRQXGDIEEDF-HBNTYKKESA-N 1 0 227.348 3.679 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567857814 326272044 /nfs/dbraw/zinc/27/20/44/326272044.db2.gz NOWINXBIFJWKIL-BFHYXJOUSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000567857815 326272122 /nfs/dbraw/zinc/27/21/22/326272122.db2.gz NOWINXBIFJWKIL-IHRRRGAJSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567857816 326272146 /nfs/dbraw/zinc/27/21/46/326272146.db2.gz NOWINXBIFJWKIL-MELADBBJSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000567857817 326272133 /nfs/dbraw/zinc/27/21/33/326272133.db2.gz NOWINXBIFJWKIL-MJBXVCDLSA-N 1 0 235.346 3.926 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(F)cc1 ZINC000567858198 326271909 /nfs/dbraw/zinc/27/19/09/326271909.db2.gz XKNBGFPNSRUGIL-BPNCWPANSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccc(F)cc1 ZINC000567858199 326272181 /nfs/dbraw/zinc/27/21/81/326272181.db2.gz XKNBGFPNSRUGIL-GDLCADMTSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(F)cc1 ZINC000567858200 326272054 /nfs/dbraw/zinc/27/20/54/326272054.db2.gz XKNBGFPNSRUGIL-LEWSCRJBSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(F)cc1 ZINC000567858201 326272157 /nfs/dbraw/zinc/27/21/57/326272157.db2.gz XKNBGFPNSRUGIL-ZLKJLUDKSA-N 1 0 239.309 3.757 20 0 BHADRO Cc1sccc1C[NH2+]Cc1ccc(C)cc1C ZINC000567868052 326273519 /nfs/dbraw/zinc/27/35/19/326273519.db2.gz JUFAXJVRJUIVQR-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000567877490 326275237 /nfs/dbraw/zinc/27/52/37/326275237.db2.gz GVQLEMFGWYVOBG-KBPBESRZSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000567877491 326275259 /nfs/dbraw/zinc/27/52/59/326275259.db2.gz GVQLEMFGWYVOBG-KGLIPLIRSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000567877492 326275318 /nfs/dbraw/zinc/27/53/18/326275318.db2.gz GVQLEMFGWYVOBG-UONOGXRCSA-N 1 0 234.387 3.865 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000567877493 326275488 /nfs/dbraw/zinc/27/54/88/326275488.db2.gz GVQLEMFGWYVOBG-ZIAGYGMSSA-N 1 0 234.387 3.865 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890702 326277076 /nfs/dbraw/zinc/27/70/76/326277076.db2.gz XXGXGOJLZZMNCF-PELKAZGASA-N 1 0 239.721 3.682 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890703 326277159 /nfs/dbraw/zinc/27/71/59/326277159.db2.gz XXGXGOJLZZMNCF-PRHODGIISA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890704 326277221 /nfs/dbraw/zinc/27/72/21/326277221.db2.gz XXGXGOJLZZMNCF-QPUJVOFHSA-N 1 0 239.721 3.682 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890705 326277113 /nfs/dbraw/zinc/27/71/13/326277113.db2.gz XXGXGOJLZZMNCF-UFBFGSQYSA-N 1 0 239.721 3.682 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)oc1C ZINC000567898451 326279476 /nfs/dbraw/zinc/27/94/76/326279476.db2.gz QKGFYVDQMHMIQA-CYZMBNFOSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)oc1C ZINC000567898452 326279430 /nfs/dbraw/zinc/27/94/30/326279430.db2.gz QKGFYVDQMHMIQA-DRZSPHRISA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)oc1C ZINC000567898453 326279369 /nfs/dbraw/zinc/27/93/69/326279369.db2.gz QKGFYVDQMHMIQA-UHTWSYAYSA-N 1 0 239.334 3.828 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)oc1C ZINC000567898454 326279500 /nfs/dbraw/zinc/27/95/00/326279500.db2.gz QKGFYVDQMHMIQA-WCFLWFBJSA-N 1 0 239.334 3.828 20 0 BHADRO C[N@H+](Cc1cccc2ccoc21)C(C)(C)C ZINC000567905245 326280592 /nfs/dbraw/zinc/28/05/92/326280592.db2.gz NJNDATMIMMPPGY-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO C[N@H+](Cc1cnc(C2CCC2)s1)C(C)(C)C ZINC000567906305 326280887 /nfs/dbraw/zinc/28/08/87/326280887.db2.gz XRACAWKEWNQSLY-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000568022759 326297054 /nfs/dbraw/zinc/29/70/54/326297054.db2.gz CMVZHCFXFHGZJK-BNOWGMLFSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000568022760 326297091 /nfs/dbraw/zinc/29/70/91/326297091.db2.gz CMVZHCFXFHGZJK-UBHSHLNASA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000568022761 322900328 /nfs/dbraw/zinc/90/03/28/322900328.db2.gz CMVZHCFXFHGZJK-XBFCOCLRSA-N 1 0 245.391 3.612 20 0 BHADRO c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000568022762 322900277 /nfs/dbraw/zinc/90/02/77/322900277.db2.gz CMVZHCFXFHGZJK-YUTCNCBUSA-N 1 0 245.391 3.612 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000568032268 326298506 /nfs/dbraw/zinc/29/85/06/326298506.db2.gz MPKFNUROBQCTSC-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000568032269 326298424 /nfs/dbraw/zinc/29/84/24/326298424.db2.gz MPKFNUROBQCTSC-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000568032317 326298298 /nfs/dbraw/zinc/29/82/98/326298298.db2.gz SDIGXQFIGDORIP-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000568032318 326298577 /nfs/dbraw/zinc/29/85/77/326298577.db2.gz SDIGXQFIGDORIP-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CCc1cccc(C[NH2+]C[C@H](C)C(F)(F)F)c1 ZINC000568033890 326298929 /nfs/dbraw/zinc/29/89/29/326298929.db2.gz AQAQKZUFKLQPFQ-JTQLQIEISA-N 1 0 245.288 3.537 20 0 BHADRO CCc1cccc(C[NH2+]C[C@@H](C)C(F)(F)F)c1 ZINC000568033891 326298672 /nfs/dbraw/zinc/29/86/72/326298672.db2.gz AQAQKZUFKLQPFQ-SNVBAGLBSA-N 1 0 245.288 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2O[C@@H]1C)C1CCCC1 ZINC000568035920 326298947 /nfs/dbraw/zinc/29/89/47/326298947.db2.gz RTRVNAIAAHMMJF-HWWQOWPSSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@H]1C)C1CCCC1 ZINC000568035921 326298972 /nfs/dbraw/zinc/29/89/72/326298972.db2.gz RTRVNAIAAHMMJF-MKBNYLNASA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]([NH2+][C@H]1c2ccccc2O[C@H]1C)C1CCCC1 ZINC000568035922 326298853 /nfs/dbraw/zinc/29/88/53/326298853.db2.gz RTRVNAIAAHMMJF-MQIPJXDCSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@@H]1C)C1CCCC1 ZINC000568035923 326298974 /nfs/dbraw/zinc/29/89/74/326298974.db2.gz RTRVNAIAAHMMJF-OZVIIMIRSA-N 1 0 245.366 3.677 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000568096995 326307634 /nfs/dbraw/zinc/30/76/34/326307634.db2.gz KWFYUYINJBYCCR-KBPBESRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](CCO)[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000568096997 326307248 /nfs/dbraw/zinc/30/72/48/326307248.db2.gz KWFYUYINJBYCCR-KGLIPLIRSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000568096999 326307460 /nfs/dbraw/zinc/30/74/60/326307460.db2.gz KWFYUYINJBYCCR-UONOGXRCSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](CCO)[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000568097000 326307496 /nfs/dbraw/zinc/30/74/96/326307496.db2.gz KWFYUYINJBYCCR-ZIAGYGMSSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[N@H+](CCCCC1CCOCC1)C(C)C ZINC000568105548 326308909 /nfs/dbraw/zinc/30/89/09/326308909.db2.gz XIVUQTGYCDFIFR-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000568124230 326311026 /nfs/dbraw/zinc/31/10/26/326311026.db2.gz RZDMANZJNFFGSZ-DOMZBBRYSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000568124231 326311020 /nfs/dbraw/zinc/31/10/20/326311020.db2.gz RZDMANZJNFFGSZ-IUODEOHRSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000568124232 326311008 /nfs/dbraw/zinc/31/10/08/326311008.db2.gz RZDMANZJNFFGSZ-SWLSCSKDSA-N 1 0 249.373 3.882 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000568124233 326310748 /nfs/dbraw/zinc/31/07/48/326310748.db2.gz RZDMANZJNFFGSZ-WFASDCNBSA-N 1 0 249.373 3.882 20 0 BHADRO Cc1cc(OCCSC(C)C)c(C)c(C)[nH+]1 ZINC000568240600 326333334 /nfs/dbraw/zinc/33/33/34/326333334.db2.gz UDJFZWLYCUDTGQ-UHFFFAOYSA-N 1 0 239.384 3.527 20 0 BHADRO c1ccc(C2(C[NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000568274568 326339653 /nfs/dbraw/zinc/33/96/53/326339653.db2.gz CWNCYFWBJXHYAB-HNNXBMFYSA-N 1 0 241.378 3.641 20 0 BHADRO c1ccc(C2(C[NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000568274569 326339711 /nfs/dbraw/zinc/33/97/11/326339711.db2.gz CWNCYFWBJXHYAB-OAHLLOKOSA-N 1 0 241.378 3.641 20 0 BHADRO Cc1ccsc1CC[NH2+][C@@H]1CCCC12CC2 ZINC000568274710 326339530 /nfs/dbraw/zinc/33/95/30/326339530.db2.gz GCQRQMCXIZGQEW-CYBMUJFWSA-N 1 0 235.396 3.521 20 0 BHADRO Cc1ccsc1CC[NH2+][C@H]1CCCC12CC2 ZINC000568274718 326339574 /nfs/dbraw/zinc/33/95/74/326339574.db2.gz GCQRQMCXIZGQEW-ZDUSSCGKSA-N 1 0 235.396 3.521 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000568274827 326339763 /nfs/dbraw/zinc/33/97/63/326339763.db2.gz IEKFMYPKPYRVGB-DABQJJPHSA-N 1 0 235.758 3.537 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@H]1CCCC12CC2 ZINC000568275247 326339609 /nfs/dbraw/zinc/33/96/09/326339609.db2.gz NYBDJMHXSVGKPV-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1c2ccccc2oc1C[NH2+][C@@H]1CCCC12CC2 ZINC000568275248 326339568 /nfs/dbraw/zinc/33/95/68/326339568.db2.gz NYBDJMHXSVGKPV-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568275867 322933098 /nfs/dbraw/zinc/93/30/98/322933098.db2.gz AMSWNXDGZMHVPT-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568275868 322933150 /nfs/dbraw/zinc/93/31/50/322933150.db2.gz AMSWNXDGZMHVPT-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568275869 384747179 /nfs/dbraw/zinc/74/71/79/384747179.db2.gz AMSWNXDGZMHVPT-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568275870 322933199 /nfs/dbraw/zinc/93/31/99/322933199.db2.gz AMSWNXDGZMHVPT-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)c1cscn1 ZINC000568276985 326340145 /nfs/dbraw/zinc/34/01/45/326340145.db2.gz RWLAMOAPXYHZHC-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1cscn1 ZINC000568276986 326340039 /nfs/dbraw/zinc/34/00/39/326340039.db2.gz RWLAMOAPXYHZHC-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1cscn1 ZINC000568276987 326340161 /nfs/dbraw/zinc/34/01/61/326340161.db2.gz RWLAMOAPXYHZHC-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)c1cscn1 ZINC000568276988 326339951 /nfs/dbraw/zinc/33/99/51/326339951.db2.gz RWLAMOAPXYHZHC-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000568280000 326340362 /nfs/dbraw/zinc/34/03/62/326340362.db2.gz WBFJUAMMUZSEGG-DOMZBBRYSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000568280002 326340363 /nfs/dbraw/zinc/34/03/63/326340363.db2.gz WBFJUAMMUZSEGG-IUODEOHRSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000568280003 326340405 /nfs/dbraw/zinc/34/04/05/326340405.db2.gz WBFJUAMMUZSEGG-SWLSCSKDSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000568280005 326340548 /nfs/dbraw/zinc/34/05/48/326340548.db2.gz WBFJUAMMUZSEGG-WFASDCNBSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000568280310 326340402 /nfs/dbraw/zinc/34/04/02/326340402.db2.gz VJHWRAZUTRPXEL-GUTXKFCHSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000568280311 326340861 /nfs/dbraw/zinc/34/08/61/326340861.db2.gz VJHWRAZUTRPXEL-GZBFAFLISA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000568280312 326340921 /nfs/dbraw/zinc/34/09/21/326340921.db2.gz VJHWRAZUTRPXEL-NFAWXSAZSA-N 1 0 249.398 3.787 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000568280313 326340734 /nfs/dbraw/zinc/34/07/34/326340734.db2.gz VJHWRAZUTRPXEL-UMVBOHGHSA-N 1 0 249.398 3.787 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000568318116 326344434 /nfs/dbraw/zinc/34/44/34/326344434.db2.gz XICSXNVKZMRJJN-AWEZNQCLSA-N 1 0 249.402 3.689 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000568318117 326344525 /nfs/dbraw/zinc/34/45/25/326344525.db2.gz XICSXNVKZMRJJN-CQSZACIVSA-N 1 0 249.402 3.689 20 0 BHADRO CCC1(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000568354430 326348431 /nfs/dbraw/zinc/34/84/31/326348431.db2.gz UTGMKGNQZIUHFG-WDNDVIMCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C[NH2+]CC1(C)CC1)Oc1cccc(C)c1 ZINC000568361627 326349278 /nfs/dbraw/zinc/34/92/78/326349278.db2.gz VBPYGTMDDWKHHA-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[NH2+]CC1(C)CC1)Oc1cccc(C)c1 ZINC000568361628 326349105 /nfs/dbraw/zinc/34/91/05/326349105.db2.gz VBPYGTMDDWKHHA-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO COc1cc(C[NH2+]CC2(C(C)C)CC2)ccc1C ZINC000568380498 326351429 /nfs/dbraw/zinc/35/14/29/326351429.db2.gz PCSJCDIFGAJNRT-UHFFFAOYSA-N 1 0 247.382 3.529 20 0 BHADRO Cc1cnc(CC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000568388574 326352608 /nfs/dbraw/zinc/35/26/08/326352608.db2.gz GXSSUSRDHSTEEI-UHFFFAOYSA-N 1 0 246.398 3.505 20 0 BHADRO CC[C@H](SCC1CC[NH2+]CC1)c1ccccc1 ZINC000568389592 326352869 /nfs/dbraw/zinc/35/28/69/326352869.db2.gz PVHKETPKXWDFOA-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CC[C@@H](SCC1CC[NH2+]CC1)c1ccccc1 ZINC000568389593 326352641 /nfs/dbraw/zinc/35/26/41/326352641.db2.gz PVHKETPKXWDFOA-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1(C)CC1 ZINC000568405987 326354903 /nfs/dbraw/zinc/35/49/03/326354903.db2.gz FMQJUJXXUUKEBR-SNPRPXQTSA-N 1 0 229.367 3.568 20 0 BHADRO CCC(CC)[N@H+](CC)CCc1scnc1C ZINC000568438442 326357306 /nfs/dbraw/zinc/35/73/06/326357306.db2.gz UAVCGMPQSHULIV-UHFFFAOYSA-N 1 0 240.416 3.505 20 0 BHADRO Cc1cccc(C[NH+]2CC(C3CCC3)C2)c1C ZINC000568445077 326357218 /nfs/dbraw/zinc/35/72/18/326357218.db2.gz MLOLFQYYRSPPAK-UHFFFAOYSA-N 1 0 229.367 3.535 20 0 BHADRO Cc1ccncc1CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000568446223 326357103 /nfs/dbraw/zinc/35/71/03/326357103.db2.gz HEBRPDXYEQWDNP-AWEZNQCLSA-N 1 0 248.414 3.689 20 0 BHADRO Cc1ccncc1CCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000568446224 326357057 /nfs/dbraw/zinc/35/70/57/326357057.db2.gz HEBRPDXYEQWDNP-CQSZACIVSA-N 1 0 248.414 3.689 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000568485978 326359433 /nfs/dbraw/zinc/35/94/33/326359433.db2.gz GZEOTZPDCDKXHV-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000568485979 326359275 /nfs/dbraw/zinc/35/92/75/326359275.db2.gz GZEOTZPDCDKXHV-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO C[C@@H](CCSc1ccccc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000568488684 326359441 /nfs/dbraw/zinc/35/94/41/326359441.db2.gz YFCMTFJZRBFNCC-HZSPNIEDSA-N 1 0 249.423 3.898 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000568488686 326358576 /nfs/dbraw/zinc/35/85/76/326358576.db2.gz YFCMTFJZRBFNCC-MCIONIFRSA-N 1 0 249.423 3.898 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000568488687 326358539 /nfs/dbraw/zinc/35/85/39/326358539.db2.gz YFCMTFJZRBFNCC-MGPQQGTHSA-N 1 0 249.423 3.898 20 0 BHADRO C[C@@H](CCSc1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000568488688 326358559 /nfs/dbraw/zinc/35/85/59/326358559.db2.gz YFCMTFJZRBFNCC-RDBSUJKOSA-N 1 0 249.423 3.898 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000568520340 326362599 /nfs/dbraw/zinc/36/25/99/326362599.db2.gz WKRNYQZJJPYKGZ-NEPJUHHUSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000568520341 326362612 /nfs/dbraw/zinc/36/26/12/326362612.db2.gz WKRNYQZJJPYKGZ-NWDGAFQWSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000568520342 326362551 /nfs/dbraw/zinc/36/25/51/326362551.db2.gz WKRNYQZJJPYKGZ-RYUDHWBXSA-N 1 0 241.737 3.629 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000568520343 326362531 /nfs/dbraw/zinc/36/25/31/326362531.db2.gz WKRNYQZJJPYKGZ-VXGBXAGGSA-N 1 0 241.737 3.629 20 0 BHADRO COc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccc1C ZINC000568562347 326365418 /nfs/dbraw/zinc/36/54/18/326365418.db2.gz PDKBIPSVKHQEGF-AWEZNQCLSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1C ZINC000568562352 326365412 /nfs/dbraw/zinc/36/54/12/326365412.db2.gz PDKBIPSVKHQEGF-CQSZACIVSA-N 1 0 247.382 3.672 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC000568572984 326365461 /nfs/dbraw/zinc/36/54/61/326365461.db2.gz IFLIUKSUMIMAKO-MWTAGDMHSA-N 1 0 219.372 3.606 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC000568572985 326365451 /nfs/dbraw/zinc/36/54/51/326365451.db2.gz IFLIUKSUMIMAKO-QSFCEBDXSA-N 1 0 219.372 3.606 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH+]2C3CCC2CC3)C1 ZINC000568572986 326365217 /nfs/dbraw/zinc/36/52/17/326365217.db2.gz IFLIUKSUMIMAKO-UJHNXHIOSA-N 1 0 219.372 3.606 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH+]2C3CCC2CC3)C1 ZINC000568572987 326365417 /nfs/dbraw/zinc/36/54/17/326365417.db2.gz IFLIUKSUMIMAKO-WSYDAFBYSA-N 1 0 219.372 3.606 20 0 BHADRO CSC1(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC000568575425 326365325 /nfs/dbraw/zinc/36/53/25/326365325.db2.gz XPBXSLIZWMUMIC-CHWSQXEVSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)CCC1 ZINC000568575426 326365441 /nfs/dbraw/zinc/36/54/41/326365441.db2.gz XPBXSLIZWMUMIC-OLZOCXBDSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)CCC1 ZINC000568575427 326365178 /nfs/dbraw/zinc/36/51/78/326365178.db2.gz XPBXSLIZWMUMIC-QWHCGFSZSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@H+](C)[C@H]2CCC[C@H](C)C2)CCC1 ZINC000568575428 326365237 /nfs/dbraw/zinc/36/52/37/326365237.db2.gz XPBXSLIZWMUMIC-STQMWFEESA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000568590558 326366447 /nfs/dbraw/zinc/36/64/47/326366447.db2.gz OZVXOPMZRUXOGK-GDBMZVCRSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000568590561 326365957 /nfs/dbraw/zinc/36/59/57/326365957.db2.gz OZVXOPMZRUXOGK-GOEBONIOSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000568590562 326365917 /nfs/dbraw/zinc/36/59/17/326365917.db2.gz OZVXOPMZRUXOGK-HOCLYGCPSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000568590563 326366167 /nfs/dbraw/zinc/36/61/67/326366167.db2.gz OZVXOPMZRUXOGK-ZBFHGGJFSA-N 1 0 231.383 3.911 20 0 BHADRO CC(F)(F)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000568591200 326366479 /nfs/dbraw/zinc/36/64/79/326366479.db2.gz BMJBNKYTZXVHRJ-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CC(F)(F)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000568591207 326366378 /nfs/dbraw/zinc/36/63/78/326366378.db2.gz BMJBNKYTZXVHRJ-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO Cc1cnccc1C[NH2+]CCC1=CCCCCC1 ZINC000568591329 326366673 /nfs/dbraw/zinc/36/66/73/326366673.db2.gz JORJVFINKBGSBJ-UHFFFAOYSA-N 1 0 244.382 3.760 20 0 BHADRO Cc1cnccc1C[NH2+]CC(C)(C)C1CCCC1 ZINC000568591589 326366545 /nfs/dbraw/zinc/36/65/45/326366545.db2.gz YCSCBFIBDLEFIH-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CCCn1ccc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000568597644 326366461 /nfs/dbraw/zinc/36/64/61/326366461.db2.gz NLRYYIVKMWFQMM-UHFFFAOYSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[C@H]1F ZINC000568607209 326366906 /nfs/dbraw/zinc/36/69/06/326366906.db2.gz WVYVROBRNAIHLT-BMFZPTHFSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCC[C@H]1F ZINC000568607210 326367010 /nfs/dbraw/zinc/36/70/10/326367010.db2.gz WVYVROBRNAIHLT-IMJJTQAJSA-N 1 0 249.373 3.736 20 0 BHADRO CC[N@H+](CC[C@@H](C)F)Cc1ccc(C)cc1 ZINC000568612074 326367321 /nfs/dbraw/zinc/36/73/21/326367321.db2.gz YWWQTYNJSOOJBY-CYBMUJFWSA-N 1 0 223.335 3.565 20 0 BHADRO CC[N@H+](CC[C@H](C)F)Cc1ccc(C)cc1 ZINC000568612077 326367371 /nfs/dbraw/zinc/36/73/71/326367371.db2.gz YWWQTYNJSOOJBY-ZDUSSCGKSA-N 1 0 223.335 3.565 20 0 BHADRO C[N@H+](CC1CCC(F)(F)CC1)C(C)(C)C ZINC000568625292 364764436 /nfs/dbraw/zinc/76/44/36/364764436.db2.gz ZPDRHTFSRIVOKS-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO Cc1nsc(C)c1C[NH2+][C@@H](C)c1ccccc1 ZINC000568643608 384965434 /nfs/dbraw/zinc/96/54/34/384965434.db2.gz OQYNYYFOXYEUNF-JTQLQIEISA-N 1 0 246.379 3.611 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(COC)cc1 ZINC000568659115 326371222 /nfs/dbraw/zinc/37/12/22/326371222.db2.gz WBABTTVXWGZJPV-UHFFFAOYSA-N 1 0 249.398 3.844 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000568671696 326372204 /nfs/dbraw/zinc/37/22/04/326372204.db2.gz OGGKXBPHYHPNON-HLLBOEOZSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000568671697 326372192 /nfs/dbraw/zinc/37/21/92/326372192.db2.gz OGGKXBPHYHPNON-VYDXJSESSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000568671698 326372304 /nfs/dbraw/zinc/37/23/04/326372304.db2.gz OGGKXBPHYHPNON-YQQAZPJKSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000568671699 326372271 /nfs/dbraw/zinc/37/22/71/326372271.db2.gz OGGKXBPHYHPNON-ZOBUZTSGSA-N 1 0 243.394 3.741 20 0 BHADRO Cc1cccc(C[NH2+]CCC2(F)CCC2)c1C ZINC000568677012 326372298 /nfs/dbraw/zinc/37/22/98/326372298.db2.gz MMAVZRLLHNZUJS-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000568692246 326372494 /nfs/dbraw/zinc/37/24/94/326372494.db2.gz YMFYKPOZECTEFS-DZGCQCFKSA-N 1 0 231.383 3.607 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000568692251 326372482 /nfs/dbraw/zinc/37/24/82/326372482.db2.gz YMFYKPOZECTEFS-HIFRSBDPSA-N 1 0 231.383 3.607 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000568692253 326372639 /nfs/dbraw/zinc/37/26/39/326372639.db2.gz YMFYKPOZECTEFS-UKRRQHHQSA-N 1 0 231.383 3.607 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000568692255 326372381 /nfs/dbraw/zinc/37/23/81/326372381.db2.gz YMFYKPOZECTEFS-ZFWWWQNUSA-N 1 0 231.383 3.607 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000568697184 326372658 /nfs/dbraw/zinc/37/26/58/326372658.db2.gz HEMGBAKNMYWBLE-MBNYWOFBSA-N 1 0 237.412 3.942 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000568697185 326372541 /nfs/dbraw/zinc/37/25/41/326372541.db2.gz HEMGBAKNMYWBLE-OUCADQQQSA-N 1 0 237.412 3.942 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000568697186 326372599 /nfs/dbraw/zinc/37/25/99/326372599.db2.gz HEMGBAKNMYWBLE-SGMGOOAPSA-N 1 0 237.412 3.942 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000568697187 326372448 /nfs/dbraw/zinc/37/24/48/326372448.db2.gz HEMGBAKNMYWBLE-YRGRVCCFSA-N 1 0 237.412 3.942 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568714309 326373003 /nfs/dbraw/zinc/37/30/03/326373003.db2.gz ZHZBBSGFNNDCQQ-WDNDVIMCSA-N 1 0 241.419 3.748 20 0 BHADRO FC1(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000568714679 326373175 /nfs/dbraw/zinc/37/31/75/326373175.db2.gz PUNUVQWOLCSQGE-CABCVRRESA-N 1 0 247.357 3.662 20 0 BHADRO FC1(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000568714680 326372927 /nfs/dbraw/zinc/37/29/27/326372927.db2.gz PUNUVQWOLCSQGE-GJZGRUSLSA-N 1 0 247.357 3.662 20 0 BHADRO FC1(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000568714681 326373075 /nfs/dbraw/zinc/37/30/75/326373075.db2.gz PUNUVQWOLCSQGE-HUUCEWRRSA-N 1 0 247.357 3.662 20 0 BHADRO FC1(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000568714682 326373131 /nfs/dbraw/zinc/37/31/31/326373131.db2.gz PUNUVQWOLCSQGE-LSDHHAIUSA-N 1 0 247.357 3.662 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)CC1(C)CC1 ZINC000568724830 326373717 /nfs/dbraw/zinc/37/37/17/326373717.db2.gz OYHCVQBWVDGYPG-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cscn1 ZINC000568726991 326373678 /nfs/dbraw/zinc/37/36/78/326373678.db2.gz ZQOJQFJRPGYSOC-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cscn1 ZINC000568726992 326373555 /nfs/dbraw/zinc/37/35/55/326373555.db2.gz ZQOJQFJRPGYSOC-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000568729774 326374013 /nfs/dbraw/zinc/37/40/13/326374013.db2.gz UTMQAVITCXIZGI-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000568729775 326374024 /nfs/dbraw/zinc/37/40/24/326374024.db2.gz UTMQAVITCXIZGI-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCc1cccc(C)n1)C1CCCCC1 ZINC000568756481 326375354 /nfs/dbraw/zinc/37/53/54/326375354.db2.gz JBHMULLAVVAYSH-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO CC[C@H](C[NH2+]C1(CF)CCC1)c1ccccc1 ZINC000568763011 326375842 /nfs/dbraw/zinc/37/58/42/326375842.db2.gz IRHMIXPTHYMVTJ-CYBMUJFWSA-N 1 0 235.346 3.662 20 0 BHADRO CC[C@@H](C[NH2+]C1(CF)CCC1)c1ccccc1 ZINC000568763022 326375798 /nfs/dbraw/zinc/37/57/98/326375798.db2.gz IRHMIXPTHYMVTJ-ZDUSSCGKSA-N 1 0 235.346 3.662 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000568768275 326376687 /nfs/dbraw/zinc/37/66/87/326376687.db2.gz MDSVRIMNSNIRDN-GFCCVEGCSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000568768276 326376730 /nfs/dbraw/zinc/37/67/30/326376730.db2.gz MDSVRIMNSNIRDN-LBPRGKRZSA-N 1 0 249.402 3.508 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000568775858 326377007 /nfs/dbraw/zinc/37/70/07/326377007.db2.gz WIYIGGMMOUJLAM-UXIGCNINSA-N 1 0 235.346 3.706 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000568775859 326376958 /nfs/dbraw/zinc/37/69/58/326376958.db2.gz WIYIGGMMOUJLAM-WHOFXGATSA-N 1 0 235.346 3.706 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000568785973 326377761 /nfs/dbraw/zinc/37/77/61/326377761.db2.gz RFCWVWIJHHCKGH-UHFFFAOYSA-N 1 0 249.398 3.998 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC23CCC3)C1 ZINC000568819109 326377959 /nfs/dbraw/zinc/37/79/59/326377959.db2.gz CGYGOROAVWAUMO-GXTWGEPZSA-N 1 0 219.372 3.607 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC23CCC3)C1 ZINC000568819110 326377869 /nfs/dbraw/zinc/37/78/69/326377869.db2.gz CGYGOROAVWAUMO-JSGCOSHPSA-N 1 0 219.372 3.607 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@@H+]2CCC23CCC3)C1 ZINC000568819111 326377928 /nfs/dbraw/zinc/37/79/28/326377928.db2.gz CGYGOROAVWAUMO-OCCSQVGLSA-N 1 0 219.372 3.607 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@@H+]2CCC23CCC3)C1 ZINC000568819112 326377941 /nfs/dbraw/zinc/37/79/41/326377941.db2.gz CGYGOROAVWAUMO-TZMCWYRMSA-N 1 0 219.372 3.607 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)CC1(C)CC1 ZINC000568827300 326378265 /nfs/dbraw/zinc/37/82/65/326378265.db2.gz WBUWNLIJNBUKQZ-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000568840931 326378744 /nfs/dbraw/zinc/37/87/44/326378744.db2.gz MOIYVVHROSDNRT-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000568840932 326378822 /nfs/dbraw/zinc/37/88/22/326378822.db2.gz MOIYVVHROSDNRT-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000568840933 326378895 /nfs/dbraw/zinc/37/88/95/326378895.db2.gz MOIYVVHROSDNRT-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000568840934 326378863 /nfs/dbraw/zinc/37/88/63/326378863.db2.gz MOIYVVHROSDNRT-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000568845348 326379088 /nfs/dbraw/zinc/37/90/88/326379088.db2.gz ZETZKBYJIYJYQZ-HNNXBMFYSA-N 1 0 246.398 3.636 20 0 BHADRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000568845349 326379069 /nfs/dbraw/zinc/37/90/69/326379069.db2.gz ZETZKBYJIYJYQZ-OAHLLOKOSA-N 1 0 246.398 3.636 20 0 BHADRO CC1(C)c2ccccc2CC[N@H+]1CCCCCF ZINC000568849845 326379031 /nfs/dbraw/zinc/37/90/31/326379031.db2.gz UDGCIYHKZGMCKL-UHFFFAOYSA-N 1 0 249.373 3.920 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1noc2ccccc12 ZINC000568879771 326380380 /nfs/dbraw/zinc/38/03/80/326380380.db2.gz HJIYHUPGTSTILP-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1noc2ccccc12 ZINC000568879774 326380385 /nfs/dbraw/zinc/38/03/85/326380385.db2.gz HJIYHUPGTSTILP-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000568902183 326382331 /nfs/dbraw/zinc/38/23/31/326382331.db2.gz XUNWKGWCNSFZMG-HTAVTVPLSA-N 1 0 243.341 3.733 20 0 BHADRO FC(F)C1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000568902184 326382227 /nfs/dbraw/zinc/38/22/27/326382227.db2.gz XUNWKGWCNSFZMG-MCIGGMRASA-N 1 0 243.341 3.733 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000568903111 326382429 /nfs/dbraw/zinc/38/24/29/326382429.db2.gz DQFHLFFQMVXBGJ-DZGCQCFKSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000568903112 326382235 /nfs/dbraw/zinc/38/22/35/326382235.db2.gz DQFHLFFQMVXBGJ-HIFRSBDPSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000568903113 385110676 /nfs/dbraw/zinc/11/06/76/385110676.db2.gz DQFHLFFQMVXBGJ-UKRRQHHQSA-N 1 0 247.382 3.706 20 0 BHADRO CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)C2)cc1 ZINC000568903116 385109343 /nfs/dbraw/zinc/10/93/43/385109343.db2.gz DQFHLFFQMVXBGJ-ZFWWWQNUSA-N 1 0 247.382 3.706 20 0 BHADRO CCCC1(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000568921492 326382609 /nfs/dbraw/zinc/38/26/09/326382609.db2.gz FEZPUNSWIFFUEM-UHFFFAOYSA-N 1 0 243.394 3.571 20 0 BHADRO CC1([NH2+]CC2Cc3ccccc3C2)CCCCC1 ZINC000568921544 326382516 /nfs/dbraw/zinc/38/25/16/326382516.db2.gz HINYBKFSAVSGRN-UHFFFAOYSA-N 1 0 243.394 3.714 20 0 BHADRO COCC(C)(C)CCC[NH2+]Cc1ccccc1C ZINC000568928123 326382479 /nfs/dbraw/zinc/38/24/79/326382479.db2.gz PCEQIXUFFSKPPU-UHFFFAOYSA-N 1 0 249.398 3.537 20 0 BHADRO CCCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000568929122 326382519 /nfs/dbraw/zinc/38/25/19/326382519.db2.gz QRNDDPONDVNJKA-PHIMTYICSA-N 1 0 237.309 3.839 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCCc1ccc(O)cc1 ZINC000568933605 326382731 /nfs/dbraw/zinc/38/27/31/326382731.db2.gz XNZXCIUUYOZXHV-AWEZNQCLSA-N 1 0 249.398 3.597 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCCc1ccc(O)cc1 ZINC000568933606 326382665 /nfs/dbraw/zinc/38/26/65/326382665.db2.gz XNZXCIUUYOZXHV-CQSZACIVSA-N 1 0 249.398 3.597 20 0 BHADRO CC[N@H+](CCc1ncc(C)cc1C)CC(C)(C)C ZINC000568981270 326384471 /nfs/dbraw/zinc/38/44/71/326384471.db2.gz RKMDKIHBXWRYTB-UHFFFAOYSA-N 1 0 248.414 3.609 20 0 BHADRO C[N@H+](Cc1ccccc1OC(F)F)C(C)(C)C ZINC000568997224 326385621 /nfs/dbraw/zinc/38/56/21/326385621.db2.gz IHKCLATVNMZQTQ-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000569003652 326386393 /nfs/dbraw/zinc/38/63/93/326386393.db2.gz QXVWYHHYOXKOKN-AWEZNQCLSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000569003655 326386521 /nfs/dbraw/zinc/38/65/21/326386521.db2.gz QXVWYHHYOXKOKN-CQSZACIVSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[N@H+](CC1CCC(F)(F)CC1)C(C)C ZINC000569017697 326386498 /nfs/dbraw/zinc/38/64/98/326386498.db2.gz UVZYZXVCKNPKPI-UHFFFAOYSA-N 1 0 233.346 3.932 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000569031894 326387643 /nfs/dbraw/zinc/38/76/43/326387643.db2.gz YGNRCNCTPJHHJK-UHFFFAOYSA-N 1 0 221.319 3.532 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1ccccc1F ZINC000569035389 326387651 /nfs/dbraw/zinc/38/76/51/326387651.db2.gz UVOZHQZTSSGQFV-DZGCQCFKSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000569035594 326387641 /nfs/dbraw/zinc/38/76/41/326387641.db2.gz UVOZHQZTSSGQFV-HIFRSBDPSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1F ZINC000569035595 326387685 /nfs/dbraw/zinc/38/76/85/326387685.db2.gz UVOZHQZTSSGQFV-UKRRQHHQSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000569035598 326387547 /nfs/dbraw/zinc/38/75/47/326387547.db2.gz UVOZHQZTSSGQFV-ZFWWWQNUSA-N 1 0 249.373 3.783 20 0 BHADRO CCCOC1(C[NH2+]CC2(C)CC2)CCCCC1 ZINC000569038536 326387611 /nfs/dbraw/zinc/38/76/11/326387611.db2.gz HILSGFHXFPKYOB-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000569039397 326387636 /nfs/dbraw/zinc/38/76/36/326387636.db2.gz XFVXQQGEJKVHPY-HUBLWGQQSA-N 1 0 233.355 3.533 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000569039398 326387626 /nfs/dbraw/zinc/38/76/26/326387626.db2.gz XFVXQQGEJKVHPY-SLEUVZQESA-N 1 0 233.355 3.533 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000569039399 326387621 /nfs/dbraw/zinc/38/76/21/326387621.db2.gz XFVXQQGEJKVHPY-YWPYICTPSA-N 1 0 233.355 3.533 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000569039400 326387675 /nfs/dbraw/zinc/38/76/75/326387675.db2.gz XFVXQQGEJKVHPY-ZOWXZIJZSA-N 1 0 233.355 3.533 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000569060447 326388280 /nfs/dbraw/zinc/38/82/80/326388280.db2.gz KUMMESDXZPDLJH-UHFFFAOYSA-N 1 0 231.383 3.645 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+]CCCF)c2ccccc21 ZINC000569068173 326388412 /nfs/dbraw/zinc/38/84/12/326388412.db2.gz DXXQUUBWGPCDKN-CABCVRRESA-N 1 0 235.346 3.820 20 0 BHADRO CC(C)[C@@H]1C[C@H]([NH2+]CCCF)c2ccccc21 ZINC000569068174 326388400 /nfs/dbraw/zinc/38/84/00/326388400.db2.gz DXXQUUBWGPCDKN-GJZGRUSLSA-N 1 0 235.346 3.820 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000569068175 326388564 /nfs/dbraw/zinc/38/85/64/326388564.db2.gz DXXQUUBWGPCDKN-HUUCEWRRSA-N 1 0 235.346 3.820 20 0 BHADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000569068176 326388409 /nfs/dbraw/zinc/38/84/09/326388409.db2.gz DXXQUUBWGPCDKN-LSDHHAIUSA-N 1 0 235.346 3.820 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000569068594 322943481 /nfs/dbraw/zinc/94/34/81/322943481.db2.gz WUIPMVXYFNAHCL-UHFFFAOYSA-N 1 0 235.371 3.672 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000569102501 326390228 /nfs/dbraw/zinc/39/02/28/326390228.db2.gz PBOMENATCXUXSP-CHWSQXEVSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000569102508 326390190 /nfs/dbraw/zinc/39/01/90/326390190.db2.gz PBOMENATCXUXSP-OLZOCXBDSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000569102510 326390234 /nfs/dbraw/zinc/39/02/34/326390234.db2.gz PBOMENATCXUXSP-QWHCGFSZSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000569102511 326390134 /nfs/dbraw/zinc/39/01/34/326390134.db2.gz PBOMENATCXUXSP-STQMWFEESA-N 1 0 241.737 3.710 20 0 BHADRO C[N@H+](Cc1ncc(C(C)(C)C)s1)C(C)(C)C ZINC000569104871 326390366 /nfs/dbraw/zinc/39/03/66/326390366.db2.gz MUFMFEJMXZVPSP-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC(C)(C)C1=CC[N@H+](CCCCCF)CC1 ZINC000569108120 326390630 /nfs/dbraw/zinc/39/06/30/326390630.db2.gz KEPUDEURKYSPIJ-UHFFFAOYSA-N 1 0 227.367 3.804 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000569131152 326392385 /nfs/dbraw/zinc/39/23/85/326392385.db2.gz RZSVLVNJYLTXLA-BBRMVZONSA-N 1 0 246.398 3.669 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000569131157 326392245 /nfs/dbraw/zinc/39/22/45/326392245.db2.gz RZSVLVNJYLTXLA-CJNGLKHVSA-N 1 0 246.398 3.669 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000569131159 326392363 /nfs/dbraw/zinc/39/23/63/326392363.db2.gz RZSVLVNJYLTXLA-CZUORRHYSA-N 1 0 246.398 3.669 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000569131160 326392369 /nfs/dbraw/zinc/39/23/69/326392369.db2.gz RZSVLVNJYLTXLA-XJKSGUPXSA-N 1 0 246.398 3.669 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1N(C)C ZINC000569135950 326392229 /nfs/dbraw/zinc/39/22/29/326392229.db2.gz PFYNEIWJVKWTDG-DOMZBBRYSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1N(C)C ZINC000569135951 326392332 /nfs/dbraw/zinc/39/23/32/326392332.db2.gz PFYNEIWJVKWTDG-IUODEOHRSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1N(C)C ZINC000569135952 326392304 /nfs/dbraw/zinc/39/23/04/326392304.db2.gz PFYNEIWJVKWTDG-SWLSCSKDSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1N(C)C ZINC000569135953 326392361 /nfs/dbraw/zinc/39/23/61/326392361.db2.gz PFYNEIWJVKWTDG-WFASDCNBSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC12CC2 ZINC000569140759 326392982 /nfs/dbraw/zinc/39/29/82/326392982.db2.gz NMOPAPYWJOAJDY-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCC12CC2 ZINC000569140760 326392947 /nfs/dbraw/zinc/39/29/47/326392947.db2.gz NMOPAPYWJOAJDY-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCC12CC2 ZINC000569140761 326392849 /nfs/dbraw/zinc/39/28/49/326392849.db2.gz NMOPAPYWJOAJDY-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC12CC2 ZINC000569140762 326390281 /nfs/dbraw/zinc/39/02/81/326390281.db2.gz NMOPAPYWJOAJDY-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000569149491 326392840 /nfs/dbraw/zinc/39/28/40/326392840.db2.gz OXBWPPHHIOLXBV-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000569149492 326392894 /nfs/dbraw/zinc/39/28/94/326392894.db2.gz OXBWPPHHIOLXBV-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000569149493 326392893 /nfs/dbraw/zinc/39/28/93/326392893.db2.gz OXBWPPHHIOLXBV-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000569149494 326392906 /nfs/dbraw/zinc/39/29/06/326392906.db2.gz OXBWPPHHIOLXBV-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[N@H+](CCCc1cnccc1C)C1CC1 ZINC000569154596 326393207 /nfs/dbraw/zinc/39/32/07/326393207.db2.gz MVPVBLLWZLMODN-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCSC(C)C ZINC000569157760 326393089 /nfs/dbraw/zinc/39/30/89/326393089.db2.gz GEIUBDMRPJDQJM-GFCCVEGCSA-N 1 0 217.422 3.639 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCSC(C)C ZINC000569157761 326393125 /nfs/dbraw/zinc/39/31/25/326393125.db2.gz GEIUBDMRPJDQJM-LBPRGKRZSA-N 1 0 217.422 3.639 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC2(CCC2)C1 ZINC000569166978 326393509 /nfs/dbraw/zinc/39/35/09/326393509.db2.gz YHVYFDINPZQPQA-HNNXBMFYSA-N 1 0 243.394 3.884 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCC2(CCC2)C1 ZINC000569166982 326393378 /nfs/dbraw/zinc/39/33/78/326393378.db2.gz YHVYFDINPZQPQA-OAHLLOKOSA-N 1 0 243.394 3.884 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000569167054 326393375 /nfs/dbraw/zinc/39/33/75/326393375.db2.gz NCVVLZIVKDTFAI-CHWSQXEVSA-N 1 0 235.371 3.697 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000569167055 326393460 /nfs/dbraw/zinc/39/34/60/326393460.db2.gz NCVVLZIVKDTFAI-OLZOCXBDSA-N 1 0 235.371 3.697 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000569167056 326393486 /nfs/dbraw/zinc/39/34/86/326393486.db2.gz NCVVLZIVKDTFAI-QWHCGFSZSA-N 1 0 235.371 3.697 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000569167057 326393385 /nfs/dbraw/zinc/39/33/85/326393385.db2.gz NCVVLZIVKDTFAI-STQMWFEESA-N 1 0 235.371 3.697 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000569172443 326393534 /nfs/dbraw/zinc/39/35/34/326393534.db2.gz VKIVHWUZMRQHKA-CHWSQXEVSA-N 1 0 241.444 3.783 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000569172456 326393511 /nfs/dbraw/zinc/39/35/11/326393511.db2.gz VKIVHWUZMRQHKA-OLZOCXBDSA-N 1 0 241.444 3.783 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000569172457 326393495 /nfs/dbraw/zinc/39/34/95/326393495.db2.gz VKIVHWUZMRQHKA-QWHCGFSZSA-N 1 0 241.444 3.783 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000569172458 326393415 /nfs/dbraw/zinc/39/34/15/326393415.db2.gz VKIVHWUZMRQHKA-STQMWFEESA-N 1 0 241.444 3.783 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc2ccccc2s1 ZINC000569181427 326393712 /nfs/dbraw/zinc/39/37/12/326393712.db2.gz IZBNRXNOIGBUBC-GHMZBOCLSA-N 1 0 231.364 3.884 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc2ccccc2s1 ZINC000569181437 326393833 /nfs/dbraw/zinc/39/38/33/326393833.db2.gz IZBNRXNOIGBUBC-PHIMTYICSA-N 1 0 231.364 3.884 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1cc2ccccc2s1 ZINC000569181438 326393806 /nfs/dbraw/zinc/39/38/06/326393806.db2.gz IZBNRXNOIGBUBC-QWRGUYRKSA-N 1 0 231.364 3.884 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccoc1 ZINC000569200409 326394843 /nfs/dbraw/zinc/39/48/43/326394843.db2.gz ZTHBESFXLXDCQW-LLVKDONJSA-N 1 0 219.328 3.653 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccoc1 ZINC000569200410 326394925 /nfs/dbraw/zinc/39/49/25/326394925.db2.gz ZTHBESFXLXDCQW-NSHDSACASA-N 1 0 219.328 3.653 20 0 BHADRO CC(C)(C)C1CC[NH+](CC2CCC2)CC1 ZINC000569210489 326395001 /nfs/dbraw/zinc/39/50/01/326395001.db2.gz CCCIXDANWKLVGV-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO C[N@H+](CC1CCCC1)C[C@@H]1CCC(F)(F)C1 ZINC000569218247 326395364 /nfs/dbraw/zinc/39/53/64/326395364.db2.gz XPIQNGKLLQMDEW-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO C[N@H+](CC1CCCC1)C[C@H]1CCC(F)(F)C1 ZINC000569218251 326395534 /nfs/dbraw/zinc/39/55/34/326395534.db2.gz XPIQNGKLLQMDEW-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO C[N@H+](Cc1cc(-c2ccccc2)on1)C(C)(C)C ZINC000569220055 326395760 /nfs/dbraw/zinc/39/57/60/326395760.db2.gz JGXDRWWAIXEXQK-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO CCC[N@H+](Cc1ccc2ncccc2c1)C(C)C ZINC000569235235 326396857 /nfs/dbraw/zinc/39/68/57/326396857.db2.gz RSSJQTTWSANSOF-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO C[NH2+]CCS[C@H](C)c1ccc2ccccc2c1 ZINC000569240606 326397321 /nfs/dbraw/zinc/39/73/21/326397321.db2.gz UCZKDSKVCWTVGY-GFCCVEGCSA-N 1 0 245.391 3.853 20 0 BHADRO C[NH2+]CCS[C@@H](C)c1ccc2ccccc2c1 ZINC000569240613 322946068 /nfs/dbraw/zinc/94/60/68/322946068.db2.gz UCZKDSKVCWTVGY-LBPRGKRZSA-N 1 0 245.391 3.853 20 0 BHADRO FC(F)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000569254410 326397772 /nfs/dbraw/zinc/39/77/72/326397772.db2.gz NSLVIUGADJKFPM-CYBMUJFWSA-N 1 0 243.341 3.852 20 0 BHADRO FC(F)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000569254411 326397843 /nfs/dbraw/zinc/39/78/43/326397843.db2.gz NSLVIUGADJKFPM-ZDUSSCGKSA-N 1 0 243.341 3.852 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]C2CCC(OC)CC2)CC1 ZINC000569264952 326398383 /nfs/dbraw/zinc/39/83/83/326398383.db2.gz ABSCXGQLQICIRE-RBAFREBBSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000569269554 326398701 /nfs/dbraw/zinc/39/87/01/326398701.db2.gz XQSXEFIBMOWLMF-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000569269555 326398657 /nfs/dbraw/zinc/39/86/57/326398657.db2.gz XQSXEFIBMOWLMF-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000569269556 326398656 /nfs/dbraw/zinc/39/86/56/326398656.db2.gz XQSXEFIBMOWLMF-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000569269557 326398637 /nfs/dbraw/zinc/39/86/37/326398637.db2.gz XQSXEFIBMOWLMF-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO Fc1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000569276981 326398722 /nfs/dbraw/zinc/39/87/22/326398722.db2.gz XIVCGIGBAUMCHJ-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1cc[nH]c1 ZINC000569291539 326399083 /nfs/dbraw/zinc/39/90/83/326399083.db2.gz HIHJIWGEFDPMDE-GXTWGEPZSA-N 1 0 234.387 3.661 20 0 BHADRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1cc[nH]c1 ZINC000569291540 326398924 /nfs/dbraw/zinc/39/89/24/326398924.db2.gz HIHJIWGEFDPMDE-JSGCOSHPSA-N 1 0 234.387 3.661 20 0 BHADRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1cc[nH]c1 ZINC000569291541 326399067 /nfs/dbraw/zinc/39/90/67/326399067.db2.gz HIHJIWGEFDPMDE-OCCSQVGLSA-N 1 0 234.387 3.661 20 0 BHADRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1cc[nH]c1 ZINC000569291542 326398958 /nfs/dbraw/zinc/39/89/58/326398958.db2.gz HIHJIWGEFDPMDE-TZMCWYRMSA-N 1 0 234.387 3.661 20 0 BHADRO CC(C)=CC[NH+]1CCC2(CCCC2)CC1 ZINC000569291557 326399065 /nfs/dbraw/zinc/39/90/65/326399065.db2.gz HSELIJVSAXPVQT-UHFFFAOYSA-N 1 0 207.361 3.609 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@H](F)C2)C1 ZINC000569341241 398105937 /nfs/dbraw/zinc/10/59/37/398105937.db2.gz LCVQTBQSKIFLFD-CMOBGSAGSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@@H](F)C2)C1 ZINC000569341242 398105706 /nfs/dbraw/zinc/10/57/06/398105706.db2.gz LCVQTBQSKIFLFD-QBHFIFKDSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC000569341243 398105925 /nfs/dbraw/zinc/10/59/25/398105925.db2.gz LCVQTBQSKIFLFD-QZQSVVMZSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@H](F)C2)C1 ZINC000569341244 322951075 /nfs/dbraw/zinc/95/10/75/322951075.db2.gz LCVQTBQSKIFLFD-ZFQMDJOTSA-N 1 0 227.367 3.681 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000569361619 383899832 /nfs/dbraw/zinc/89/98/32/383899832.db2.gz IWTZOHFFDKEKBQ-NXEZZACHSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000569361620 383899192 /nfs/dbraw/zinc/89/91/92/383899192.db2.gz IWTZOHFFDKEKBQ-UWVGGRQHSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000569361621 383899742 /nfs/dbraw/zinc/89/97/42/383899742.db2.gz IWTZOHFFDKEKBQ-VHSXEESVSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000569361622 322964318 /nfs/dbraw/zinc/96/43/18/322964318.db2.gz IWTZOHFFDKEKBQ-ZJUUUORDSA-N 1 0 247.766 3.772 20 0 BHADRO CCC[N@H+](CCCCOC(C)(C)C)C(C)C ZINC000569376446 344248281 /nfs/dbraw/zinc/24/82/81/344248281.db2.gz ZAKVBYKXJGMSGM-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1nc2ccccc2o1 ZINC000569385462 383977126 /nfs/dbraw/zinc/97/71/26/383977126.db2.gz AMHYTALPFOJWFQ-UHFFFAOYSA-N 1 0 246.354 3.838 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCCC1)c1ccon1 ZINC000569391394 383984552 /nfs/dbraw/zinc/98/45/52/383984552.db2.gz KPMAJSOMELWQIO-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCCC1)c1ccon1 ZINC000569391395 383984616 /nfs/dbraw/zinc/98/46/16/383984616.db2.gz KPMAJSOMELWQIO-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO Fc1ccccc1C=C1CC[NH+](C2CCC2)CC1 ZINC000569392136 322965326 /nfs/dbraw/zinc/96/53/26/322965326.db2.gz VSKOOBUBWWGWDZ-UHFFFAOYSA-N 1 0 245.341 3.857 20 0 BHADRO CC1(C[NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000569423279 322965675 /nfs/dbraw/zinc/96/56/75/322965675.db2.gz IWORHVONFAGPDH-UHFFFAOYSA-N 1 0 249.785 3.761 20 0 BHADRO CC1(C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000569424535 384009642 /nfs/dbraw/zinc/00/96/42/384009642.db2.gz CTTRJIZWTOZUTN-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000569438301 384028356 /nfs/dbraw/zinc/02/83/56/384028356.db2.gz WTTFLRNYURHWKO-BPUTZDHNSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000569438302 322966116 /nfs/dbraw/zinc/96/61/16/322966116.db2.gz WTTFLRNYURHWKO-KBMXLJTQSA-N 1 0 231.383 3.814 20 0 BHADRO CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000569453682 384056016 /nfs/dbraw/zinc/05/60/16/384056016.db2.gz JMXIISAKPSSZDT-LLVKDONJSA-N 1 0 249.320 3.841 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000569453683 384058400 /nfs/dbraw/zinc/05/84/00/384058400.db2.gz JMXIISAKPSSZDT-NSHDSACASA-N 1 0 249.320 3.841 20 0 BHADRO CCCCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000569465375 384082695 /nfs/dbraw/zinc/08/26/95/384082695.db2.gz PSHIKAVJYNFACA-UHFFFAOYSA-N 1 0 219.319 3.686 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000569484736 384108598 /nfs/dbraw/zinc/10/85/98/384108598.db2.gz LDBCFJUQTHKKBC-NXEZZACHSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000569484737 322967773 /nfs/dbraw/zinc/96/77/73/322967773.db2.gz LDBCFJUQTHKKBC-UWVGGRQHSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000569484739 384110149 /nfs/dbraw/zinc/11/01/49/384110149.db2.gz LDBCFJUQTHKKBC-VHSXEESVSA-N 1 0 247.766 3.772 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000569484740 322967772 /nfs/dbraw/zinc/96/77/72/322967772.db2.gz LDBCFJUQTHKKBC-ZJUUUORDSA-N 1 0 247.766 3.772 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCC[C@H]1F ZINC000569495496 384122753 /nfs/dbraw/zinc/12/27/53/384122753.db2.gz MCVSGRWVMXOCNK-JXRSSESESA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCC[C@H]1F ZINC000569495497 384123008 /nfs/dbraw/zinc/12/30/08/384123008.db2.gz MCVSGRWVMXOCNK-KATLRKPDSA-N 1 0 233.330 3.570 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000569505879 384145658 /nfs/dbraw/zinc/14/56/58/384145658.db2.gz FRUKYOSYYFXXBG-BMFZPTHFSA-N 1 0 233.399 3.591 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC(C1CC1)C1CC1 ZINC000569505883 384145644 /nfs/dbraw/zinc/14/56/44/384145644.db2.gz FRUKYOSYYFXXBG-KBMXLJTQSA-N 1 0 233.399 3.591 20 0 BHADRO CC1=CC[N@H+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000569507233 384147814 /nfs/dbraw/zinc/14/78/14/384147814.db2.gz ITRIGEZAJARZGY-IHWYPQMZSA-N 1 0 249.304 3.630 20 0 BHADRO CC1=CC[N@H+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000569507239 384147355 /nfs/dbraw/zinc/14/73/55/384147355.db2.gz ITRIGEZAJARZGY-NSCUHMNNSA-N 1 0 249.304 3.630 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000569508316 384145351 /nfs/dbraw/zinc/14/53/51/384145351.db2.gz QQPGFGRDDUOIEK-KBPBESRZSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000569508319 384143407 /nfs/dbraw/zinc/14/34/07/384143407.db2.gz QQPGFGRDDUOIEK-KGLIPLIRSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000569508324 384144922 /nfs/dbraw/zinc/14/49/22/384144922.db2.gz QQPGFGRDDUOIEK-UONOGXRCSA-N 1 0 249.398 3.595 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000569508325 384145214 /nfs/dbraw/zinc/14/52/14/384145214.db2.gz QQPGFGRDDUOIEK-ZIAGYGMSSA-N 1 0 249.398 3.595 20 0 BHADRO Cc1cc(C)cc(C[NH+]2CC(C3CCC3)C2)c1 ZINC000569509735 384151924 /nfs/dbraw/zinc/15/19/24/384151924.db2.gz YIUWUCKTNAZDND-UHFFFAOYSA-N 1 0 229.367 3.535 20 0 BHADRO CCC(CC)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569512186 384156858 /nfs/dbraw/zinc/15/68/58/384156858.db2.gz CNSUJHNXNJZTLO-CVEARBPZSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)C(C[NH+]1CC2(CCC2(F)F)C1)C(C)C ZINC000569515625 384161998 /nfs/dbraw/zinc/16/19/98/384161998.db2.gz MDBCGTKCFDDDEV-UHFFFAOYSA-N 1 0 245.357 3.646 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccco1 ZINC000569516301 384162521 /nfs/dbraw/zinc/16/25/21/384162521.db2.gz JCRVPPBTQAIPLB-HNNXBMFYSA-N 1 0 243.350 3.733 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccco1 ZINC000569516306 384161822 /nfs/dbraw/zinc/16/18/22/384161822.db2.gz JCRVPPBTQAIPLB-OAHLLOKOSA-N 1 0 243.350 3.733 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000569532973 322968913 /nfs/dbraw/zinc/96/89/13/322968913.db2.gz YDEYXWCYGXHHLK-DZGCQCFKSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000569532974 322968966 /nfs/dbraw/zinc/96/89/66/322968966.db2.gz YDEYXWCYGXHHLK-HIFRSBDPSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000569532975 322968911 /nfs/dbraw/zinc/96/89/11/322968911.db2.gz YDEYXWCYGXHHLK-UKRRQHHQSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000569532976 384181217 /nfs/dbraw/zinc/18/12/17/384181217.db2.gz YDEYXWCYGXHHLK-ZFWWWQNUSA-N 1 0 247.382 3.672 20 0 BHADRO COC[C@H](C)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000569546237 384204642 /nfs/dbraw/zinc/20/46/42/384204642.db2.gz HDIZWORBDRNRDZ-CABCVRRESA-N 1 0 249.398 3.741 20 0 BHADRO COC[C@@H](C)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000569546238 384205095 /nfs/dbraw/zinc/20/50/95/384205095.db2.gz HDIZWORBDRNRDZ-GJZGRUSLSA-N 1 0 249.398 3.741 20 0 BHADRO COC[C@H](C)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000569546239 384205350 /nfs/dbraw/zinc/20/53/50/384205350.db2.gz HDIZWORBDRNRDZ-HUUCEWRRSA-N 1 0 249.398 3.741 20 0 BHADRO COC[C@@H](C)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000569546240 384205534 /nfs/dbraw/zinc/20/55/34/384205534.db2.gz HDIZWORBDRNRDZ-LSDHHAIUSA-N 1 0 249.398 3.741 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000569550735 384221662 /nfs/dbraw/zinc/22/16/62/384221662.db2.gz SVNNXWKIWZRDPB-GFCCVEGCSA-N 1 0 237.362 3.953 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000569550738 384221688 /nfs/dbraw/zinc/22/16/88/384221688.db2.gz SVNNXWKIWZRDPB-LBPRGKRZSA-N 1 0 237.362 3.953 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1CCSCC1 ZINC000569559501 384232390 /nfs/dbraw/zinc/23/23/90/384232390.db2.gz XRSCYIYLIUBNIA-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1CCSCC1 ZINC000569559507 384231288 /nfs/dbraw/zinc/23/12/88/384231288.db2.gz XRSCYIYLIUBNIA-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CCC(CC)[N@H+](CCc1ccncc1C)C1CC1 ZINC000569599348 384494900 /nfs/dbraw/zinc/49/49/00/384494900.db2.gz GVTLEJHTLBKXKH-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO C[C@H](C[N@H+](C)C(C)(C)C)c1ccccc1 ZINC000569601269 384503916 /nfs/dbraw/zinc/50/39/16/384503916.db2.gz XWKMKBFSJNMAJO-GFCCVEGCSA-N 1 0 205.345 3.520 20 0 BHADRO C[C@@H](C[N@H+](C)C(C)(C)C)c1ccccc1 ZINC000569601271 384504711 /nfs/dbraw/zinc/50/47/11/384504711.db2.gz XWKMKBFSJNMAJO-LBPRGKRZSA-N 1 0 205.345 3.520 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000569644909 323035347 /nfs/dbraw/zinc/03/53/47/323035347.db2.gz QXUIHOPVQFPHEX-KBPBESRZSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000569644910 323035390 /nfs/dbraw/zinc/03/53/90/323035390.db2.gz QXUIHOPVQFPHEX-KGLIPLIRSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000569644911 323035350 /nfs/dbraw/zinc/03/53/50/323035350.db2.gz QXUIHOPVQFPHEX-UONOGXRCSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000569644912 323035406 /nfs/dbraw/zinc/03/54/06/323035406.db2.gz QXUIHOPVQFPHEX-ZIAGYGMSSA-N 1 0 249.398 3.739 20 0 BHADRO c1cc2cc(C[NH+]3C4CCC3CC4)ccc2o1 ZINC000569650286 323035536 /nfs/dbraw/zinc/03/55/36/323035536.db2.gz XZOJFPGSLUBSKI-UHFFFAOYSA-N 1 0 227.307 3.560 20 0 BHADRO CC(C)([NH2+]CCSCc1ccccc1)C1CC1 ZINC000569654144 323035614 /nfs/dbraw/zinc/03/56/14/323035614.db2.gz ACYWGBUYEKHTGW-UHFFFAOYSA-N 1 0 249.423 3.698 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000569664457 323036045 /nfs/dbraw/zinc/03/60/45/323036045.db2.gz QYRVXWSJUADRBW-CYBMUJFWSA-N 1 0 248.414 3.774 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000569664464 323035964 /nfs/dbraw/zinc/03/59/64/323035964.db2.gz QYRVXWSJUADRBW-ZDUSSCGKSA-N 1 0 248.414 3.774 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccncc1C ZINC000569673160 323036348 /nfs/dbraw/zinc/03/63/48/323036348.db2.gz YNVTYGDPUCAXLN-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccncc1C ZINC000569673175 323036392 /nfs/dbraw/zinc/03/63/92/323036392.db2.gz YNVTYGDPUCAXLN-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H]1C ZINC000569713388 323038349 /nfs/dbraw/zinc/03/83/49/323038349.db2.gz JOAOTXFEFRVKCA-DCXAKIHSSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H]1C ZINC000569713392 323038347 /nfs/dbraw/zinc/03/83/47/323038347.db2.gz JOAOTXFEFRVKCA-GUEXDDAASA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H]1C ZINC000569713395 323038279 /nfs/dbraw/zinc/03/82/79/323038279.db2.gz JOAOTXFEFRVKCA-PDGPNTQRSA-N 1 0 247.357 3.706 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H]1C ZINC000569713397 323038278 /nfs/dbraw/zinc/03/82/78/323038278.db2.gz JOAOTXFEFRVKCA-VUBORPHZSA-N 1 0 247.357 3.706 20 0 BHADRO CCCOc1cccc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000569722572 323038820 /nfs/dbraw/zinc/03/88/20/323038820.db2.gz UNQNTZFMMUVTBB-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO Cc1ccc2cc(C[N@@H+](C)C(C)(C)C)ccc2n1 ZINC000569724785 323038904 /nfs/dbraw/zinc/03/89/04/323038904.db2.gz JUNBXZZHMNJVIC-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000569735138 323039363 /nfs/dbraw/zinc/03/93/63/323039363.db2.gz MYOFIZJJIMFTJX-KBPBESRZSA-N 1 0 247.288 3.583 20 0 BHADRO Clc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000569757553 323039807 /nfs/dbraw/zinc/03/98/07/323039807.db2.gz SPBBCHIINDQUEY-UHFFFAOYSA-N 1 0 235.758 3.859 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000569783305 323040500 /nfs/dbraw/zinc/04/05/00/323040500.db2.gz NMXZIXBFSLWWAQ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000569783310 323040519 /nfs/dbraw/zinc/04/05/19/323040519.db2.gz NMXZIXBFSLWWAQ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cnc(CCSCCC2CC2)c(C)c1 ZINC000569810786 323041550 /nfs/dbraw/zinc/04/15/50/323041550.db2.gz DADIBXBOYIQYQW-UHFFFAOYSA-N 1 0 235.396 3.774 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccc(COC)c1 ZINC000569821006 323041684 /nfs/dbraw/zinc/04/16/84/323041684.db2.gz YDYQXLFQVNZZCC-AWEZNQCLSA-N 1 0 249.398 3.844 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(COC)c1 ZINC000569821007 323041741 /nfs/dbraw/zinc/04/17/41/323041741.db2.gz YDYQXLFQVNZZCC-CQSZACIVSA-N 1 0 249.398 3.844 20 0 BHADRO CC(C)c1ccc(CC[NH2+]CC[C@@H](C)F)cc1 ZINC000569827040 323041911 /nfs/dbraw/zinc/04/19/11/323041911.db2.gz BQOGRCMFVPYLBC-CYBMUJFWSA-N 1 0 237.362 3.690 20 0 BHADRO CC(C)c1ccc(CC[NH2+]CC[C@H](C)F)cc1 ZINC000569827041 323041884 /nfs/dbraw/zinc/04/18/84/323041884.db2.gz BQOGRCMFVPYLBC-ZDUSSCGKSA-N 1 0 237.362 3.690 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000569829876 323041833 /nfs/dbraw/zinc/04/18/33/323041833.db2.gz NRHDPFMOOCCWKO-CVEARBPZSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000569829877 323041815 /nfs/dbraw/zinc/04/18/15/323041815.db2.gz NRHDPFMOOCCWKO-HOTGVXAUSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000569829878 323041844 /nfs/dbraw/zinc/04/18/44/323041844.db2.gz NRHDPFMOOCCWKO-HZPDHXFCSA-N 1 0 247.357 3.934 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000569829879 323041851 /nfs/dbraw/zinc/04/18/51/323041851.db2.gz NRHDPFMOOCCWKO-JKSUJKDBSA-N 1 0 247.357 3.934 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCc3occc3C2)s1 ZINC000569830748 323042047 /nfs/dbraw/zinc/04/20/47/323042047.db2.gz UBUXIJPALDPQEP-UHFFFAOYSA-N 1 0 247.363 3.598 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@H](C)[C@@H](C)O)c1ccccc1 ZINC000569837478 323042077 /nfs/dbraw/zinc/04/20/77/323042077.db2.gz QRAXKPBKXXCGOZ-IOASZLSFSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1 ZINC000569837482 323042092 /nfs/dbraw/zinc/04/20/92/323042092.db2.gz QRAXKPBKXXCGOZ-WWGRRREGSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1 ZINC000569837484 323042072 /nfs/dbraw/zinc/04/20/72/323042072.db2.gz QRAXKPBKXXCGOZ-XEZPLFJOSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@@H](C)[C@@H](C)O)c1ccccc1 ZINC000569837485 323042206 /nfs/dbraw/zinc/04/22/06/323042206.db2.gz QRAXKPBKXXCGOZ-ZENOOKHLSA-N 1 0 249.398 3.523 20 0 BHADRO Cc1nsc(C)c1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000569864255 323042962 /nfs/dbraw/zinc/04/29/62/323042962.db2.gz VNDOWJYDKVILEJ-AOOOYVTPSA-N 1 0 238.400 3.523 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CC1(SC)CCC1 ZINC000569866564 323043142 /nfs/dbraw/zinc/04/31/42/323043142.db2.gz LZFJMIVPBWTAFP-GFCCVEGCSA-N 1 0 229.433 3.783 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CC1(SC)CCC1 ZINC000569866567 323043183 /nfs/dbraw/zinc/04/31/83/323043183.db2.gz LZFJMIVPBWTAFP-LBPRGKRZSA-N 1 0 229.433 3.783 20 0 BHADRO CC1=CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000569874643 323043428 /nfs/dbraw/zinc/04/34/28/323043428.db2.gz FHZNCVOAHMDZEF-MOKVOYLWSA-N 1 0 221.388 3.900 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000569874644 323043456 /nfs/dbraw/zinc/04/34/56/323043456.db2.gz FHZNCVOAHMDZEF-ROKHWSDSSA-N 1 0 221.388 3.900 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccc(O)cc1 ZINC000569916503 323044362 /nfs/dbraw/zinc/04/43/62/323044362.db2.gz MBZKZRWYJQNFNB-DZGCQCFKSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)Cc1ccc(O)cc1 ZINC000569916504 323044381 /nfs/dbraw/zinc/04/43/81/323044381.db2.gz MBZKZRWYJQNFNB-HIFRSBDPSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccc(O)cc1 ZINC000569916505 323044406 /nfs/dbraw/zinc/04/44/06/323044406.db2.gz MBZKZRWYJQNFNB-UKRRQHHQSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)Cc1ccc(O)cc1 ZINC000569916506 323044393 /nfs/dbraw/zinc/04/43/93/323044393.db2.gz MBZKZRWYJQNFNB-ZFWWWQNUSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000569944977 323045170 /nfs/dbraw/zinc/04/51/70/323045170.db2.gz ZBRKKMZQLPFACV-JTQLQIEISA-N 1 0 239.309 3.686 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000569944978 323045130 /nfs/dbraw/zinc/04/51/30/323045130.db2.gz ZBRKKMZQLPFACV-SNVBAGLBSA-N 1 0 239.309 3.686 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CCC1(C)C ZINC000569947596 323045563 /nfs/dbraw/zinc/04/55/63/323045563.db2.gz DCDWIRXOJVOJHW-KBPBESRZSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H]1CCC1(C)C ZINC000569947604 323045514 /nfs/dbraw/zinc/04/55/14/323045514.db2.gz DCDWIRXOJVOJHW-KGLIPLIRSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CCC1(C)C ZINC000569947606 323045561 /nfs/dbraw/zinc/04/55/61/323045561.db2.gz DCDWIRXOJVOJHW-UONOGXRCSA-N 1 0 245.366 3.515 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H]1CCC1(C)C ZINC000569947608 323045595 /nfs/dbraw/zinc/04/55/95/323045595.db2.gz DCDWIRXOJVOJHW-ZIAGYGMSSA-N 1 0 245.366 3.515 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000569965624 323046237 /nfs/dbraw/zinc/04/62/37/323046237.db2.gz UTPDRNYQDADBEA-KBPBESRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000569965628 323046320 /nfs/dbraw/zinc/04/63/20/323046320.db2.gz UTPDRNYQDADBEA-KGLIPLIRSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000569965629 323046234 /nfs/dbraw/zinc/04/62/34/323046234.db2.gz UTPDRNYQDADBEA-UONOGXRCSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000569965631 323046231 /nfs/dbraw/zinc/04/62/31/323046231.db2.gz UTPDRNYQDADBEA-ZIAGYGMSSA-N 1 0 243.435 3.588 20 0 BHADRO c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCCCCC3)[C@H]21 ZINC000569969130 323046057 /nfs/dbraw/zinc/04/60/57/323046057.db2.gz VKUGIYPZXGBNNF-BBWFWOEESA-N 1 0 241.378 3.637 20 0 BHADRO c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCCCCC3)[C@H]21 ZINC000569969131 323046113 /nfs/dbraw/zinc/04/61/13/323046113.db2.gz VKUGIYPZXGBNNF-GVDBMIGSSA-N 1 0 241.378 3.637 20 0 BHADRO C[N@H+](Cc1cnc(C(C)(C)C)s1)C(C)(C)C ZINC000569972844 323046146 /nfs/dbraw/zinc/04/61/46/323046146.db2.gz YOMGOCUXINIRBP-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000569988472 323046731 /nfs/dbraw/zinc/04/67/31/323046731.db2.gz QEGWCOKRJLRAEE-GJZGRUSLSA-N 1 0 242.366 3.550 20 0 BHADRO C[N@H+](Cc1ccccc1Cl)CC1(C)CC1 ZINC000569994434 323046901 /nfs/dbraw/zinc/04/69/01/323046901.db2.gz NZMZDUUVLPYRJJ-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO C[C@@H]1C[N@H+](CCC2CCCC2)CCC1(F)F ZINC000570010704 323047208 /nfs/dbraw/zinc/04/72/08/323047208.db2.gz DJBPKKDPCZQRKB-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1C[N@H+](CCC2CCCC2)CCC1(F)F ZINC000570010705 323047274 /nfs/dbraw/zinc/04/72/74/323047274.db2.gz DJBPKKDPCZQRKB-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(C)c(OC)c1 ZINC000570033763 323047971 /nfs/dbraw/zinc/04/79/71/323047971.db2.gz HFRDNBBTOMPNKA-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO C[C@H](CC[NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000570034664 323047737 /nfs/dbraw/zinc/04/77/37/323047737.db2.gz FKFVICWHNSZCST-CYBMUJFWSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](CC[NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000570034665 323047732 /nfs/dbraw/zinc/04/77/32/323047732.db2.gz FKFVICWHNSZCST-ZDUSSCGKSA-N 1 0 229.367 3.712 20 0 BHADRO CC[C@H]([NH2+]CCc1ccc(C)o1)c1ccsc1 ZINC000570041820 323048183 /nfs/dbraw/zinc/04/81/83/323048183.db2.gz AJDWHWSMJLXEQX-AWEZNQCLSA-N 1 0 249.379 3.933 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccc(C)o1)c1ccsc1 ZINC000570041821 323048094 /nfs/dbraw/zinc/04/80/94/323048094.db2.gz AJDWHWSMJLXEQX-CQSZACIVSA-N 1 0 249.379 3.933 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000570042549 323048299 /nfs/dbraw/zinc/04/82/99/323048299.db2.gz FGZXJFRUTSWVMA-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000570042557 323048305 /nfs/dbraw/zinc/04/83/05/323048305.db2.gz FGZXJFRUTSWVMA-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000570042558 323048273 /nfs/dbraw/zinc/04/82/73/323048273.db2.gz FGZXJFRUTSWVMA-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000570042560 323048265 /nfs/dbraw/zinc/04/82/65/323048265.db2.gz FGZXJFRUTSWVMA-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000570058481 323048745 /nfs/dbraw/zinc/04/87/45/323048745.db2.gz WDSMQIIAMSAWAI-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000570058482 323048685 /nfs/dbraw/zinc/04/86/85/323048685.db2.gz WDSMQIIAMSAWAI-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000570058483 323048678 /nfs/dbraw/zinc/04/86/78/323048678.db2.gz WDSMQIIAMSAWAI-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000570058484 323048692 /nfs/dbraw/zinc/04/86/92/323048692.db2.gz WDSMQIIAMSAWAI-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[N@H+](Cc1ccccc1OC1CC1)C1CCCC1 ZINC000570079804 323049252 /nfs/dbraw/zinc/04/92/52/323049252.db2.gz RIPGLKYUPRAEAS-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCNc2ccccc2)C1 ZINC000570082124 323049296 /nfs/dbraw/zinc/04/92/96/323049296.db2.gz BYPOAEIDWMUAHY-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000570082129 323049305 /nfs/dbraw/zinc/04/93/05/323049305.db2.gz BYPOAEIDWMUAHY-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000570084641 323049515 /nfs/dbraw/zinc/04/95/15/323049515.db2.gz FLZJCOCVMSWDDA-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000570084642 323049607 /nfs/dbraw/zinc/04/96/07/323049607.db2.gz FLZJCOCVMSWDDA-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccncc1Cl ZINC000570087972 323049448 /nfs/dbraw/zinc/04/94/48/323049448.db2.gz JPUXAVGCPMWWBY-LLVKDONJSA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccncc1Cl ZINC000570087973 323049491 /nfs/dbraw/zinc/04/94/91/323049491.db2.gz JPUXAVGCPMWWBY-NSHDSACASA-N 1 0 240.778 3.746 20 0 BHADRO CCC1CC([NH2+][C@@H](C)Cc2ccccc2C)C1 ZINC000570112614 323050371 /nfs/dbraw/zinc/05/03/71/323050371.db2.gz UCIIDAQFJKKHSL-HLIUYOAVSA-N 1 0 231.383 3.704 20 0 BHADRO CCC1CC([NH2+][C@H](C)Cc2ccccc2C)C1 ZINC000570112615 323050337 /nfs/dbraw/zinc/05/03/37/323050337.db2.gz UCIIDAQFJKKHSL-VQCLRJIVSA-N 1 0 231.383 3.704 20 0 BHADRO CCCC(C)(C)[NH2+]CC1Cc2ccccc2C1 ZINC000570133433 323050641 /nfs/dbraw/zinc/05/06/41/323050641.db2.gz MPVOGRUNEZYDPU-UHFFFAOYSA-N 1 0 231.383 3.570 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000570136592 323050973 /nfs/dbraw/zinc/05/09/73/323050973.db2.gz BNGUOXQWVVQRQO-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000570136593 323050984 /nfs/dbraw/zinc/05/09/84/323050984.db2.gz BNGUOXQWVVQRQO-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000570136594 323050903 /nfs/dbraw/zinc/05/09/03/323050903.db2.gz BNGUOXQWVVQRQO-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000570136595 323050971 /nfs/dbraw/zinc/05/09/71/323050971.db2.gz BNGUOXQWVVQRQO-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570136633 323050891 /nfs/dbraw/zinc/05/08/91/323050891.db2.gz IIIWFWREPUGAGB-GFCCVEGCSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570136634 323050883 /nfs/dbraw/zinc/05/08/83/323050883.db2.gz IIIWFWREPUGAGB-LBPRGKRZSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(C)CCCCC2)C[C@H](C)O1 ZINC000570157179 323051209 /nfs/dbraw/zinc/05/12/09/323051209.db2.gz WGKLLEJNPSOJQM-WDNDVIMCSA-N 1 0 239.403 3.502 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000570222912 323053339 /nfs/dbraw/zinc/05/33/39/323053339.db2.gz HOVQHPMMSKLJHF-DZGCQCFKSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000570222913 323053328 /nfs/dbraw/zinc/05/33/28/323053328.db2.gz HOVQHPMMSKLJHF-HIFRSBDPSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@H](C)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000570222914 323053206 /nfs/dbraw/zinc/05/32/06/323053206.db2.gz HOVQHPMMSKLJHF-UKRRQHHQSA-N 1 0 249.398 3.579 20 0 BHADRO COC[C@@H](C)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000570222915 323053288 /nfs/dbraw/zinc/05/32/88/323053288.db2.gz HOVQHPMMSKLJHF-ZFWWWQNUSA-N 1 0 249.398 3.579 20 0 BHADRO C[N@H+](CC1(C)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000570247303 323054329 /nfs/dbraw/zinc/05/43/29/323054329.db2.gz AJBMCWXNEQPEBL-PHIMTYICSA-N 1 0 249.320 3.839 20 0 BHADRO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCC1CC1 ZINC000570248041 323054354 /nfs/dbraw/zinc/05/43/54/323054354.db2.gz LWNXKROCNYJXIT-INIZCTEOSA-N 1 0 244.382 3.713 20 0 BHADRO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCC1CC1 ZINC000570248054 323054339 /nfs/dbraw/zinc/05/43/39/323054339.db2.gz LWNXKROCNYJXIT-MRXNPFEDSA-N 1 0 244.382 3.713 20 0 BHADRO CCC(CC)[N@H+](CCSC(C)C)C1CC1 ZINC000570296000 323055209 /nfs/dbraw/zinc/05/52/09/323055209.db2.gz ZZZQIBVROFQZPH-UHFFFAOYSA-N 1 0 229.433 3.781 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000570316577 323056063 /nfs/dbraw/zinc/05/60/63/323056063.db2.gz QLSJPQFZBUESIJ-AWEZNQCLSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000570316580 323056085 /nfs/dbraw/zinc/05/60/85/323056085.db2.gz QLSJPQFZBUESIJ-CQSZACIVSA-N 1 0 247.382 3.672 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000570356701 323057419 /nfs/dbraw/zinc/05/74/19/323057419.db2.gz YHHRVBOFKUUUPM-SECBINFHSA-N 1 0 241.737 3.709 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000570356704 323057280 /nfs/dbraw/zinc/05/72/80/323057280.db2.gz YHHRVBOFKUUUPM-VIFPVBQESA-N 1 0 241.737 3.709 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000570360637 323057256 /nfs/dbraw/zinc/05/72/56/323057256.db2.gz VJWIRNIPDJWCAG-STQMWFEESA-N 1 0 239.309 3.553 20 0 BHADRO CC(C)[N@@H+](Cc1ccccn1)CC1=CCCCC1 ZINC000570363392 323057584 /nfs/dbraw/zinc/05/75/84/323057584.db2.gz DUKOGOGKYNYBCB-UHFFFAOYSA-N 1 0 244.382 3.792 20 0 BHADRO CC[N@H+](CC1Cc2ccccc2C1)C1CCCC1 ZINC000570370361 323057745 /nfs/dbraw/zinc/05/77/45/323057745.db2.gz OFJQGLLLJXJWRU-UHFFFAOYSA-N 1 0 243.394 3.666 20 0 BHADRO CC(C)[C@H](C[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000570433264 323059244 /nfs/dbraw/zinc/05/92/44/323059244.db2.gz YXXLYIHKWXQMGD-CVEARBPZSA-N 1 0 249.373 3.860 20 0 BHADRO CC(C)[C@H](C[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000570433265 323059170 /nfs/dbraw/zinc/05/91/70/323059170.db2.gz YXXLYIHKWXQMGD-HOTGVXAUSA-N 1 0 249.373 3.860 20 0 BHADRO CC(C)[C@@H](C[N@@H+]1CCC[C@@H]1CF)c1ccccc1 ZINC000570433266 323059266 /nfs/dbraw/zinc/05/92/66/323059266.db2.gz YXXLYIHKWXQMGD-HZPDHXFCSA-N 1 0 249.373 3.860 20 0 BHADRO CC(C)[C@@H](C[N@@H+]1CCC[C@H]1CF)c1ccccc1 ZINC000570433267 323059195 /nfs/dbraw/zinc/05/91/95/323059195.db2.gz YXXLYIHKWXQMGD-JKSUJKDBSA-N 1 0 249.373 3.860 20 0 BHADRO CCC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000570433396 323059243 /nfs/dbraw/zinc/05/92/43/323059243.db2.gz LGBBHTRQFHLKPK-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000570433397 323059166 /nfs/dbraw/zinc/05/91/66/323059166.db2.gz LGBBHTRQFHLKPK-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000570433398 323059144 /nfs/dbraw/zinc/05/91/44/323059144.db2.gz LGBBHTRQFHLKPK-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000570433399 323059276 /nfs/dbraw/zinc/05/92/76/323059276.db2.gz LGBBHTRQFHLKPK-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CCC(C)(OC)CC1 ZINC000570441573 323059520 /nfs/dbraw/zinc/05/95/20/323059520.db2.gz VYAFNVDBLMDTKC-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CCC(C)(OC)CC1 ZINC000570441574 323059509 /nfs/dbraw/zinc/05/95/09/323059509.db2.gz VYAFNVDBLMDTKC-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC1(C)CCCC[N@H+](CCCCCF)C1 ZINC000570502156 323061224 /nfs/dbraw/zinc/06/12/24/323061224.db2.gz AXFTVYSVXRKWHM-UHFFFAOYSA-N 1 0 215.356 3.638 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000570514511 323061355 /nfs/dbraw/zinc/06/13/55/323061355.db2.gz OQYSRPIFGMUTRE-BFHYXJOUSA-N 1 0 227.367 3.992 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000570514512 323061381 /nfs/dbraw/zinc/06/13/81/323061381.db2.gz OQYSRPIFGMUTRE-IHRRRGAJSA-N 1 0 227.367 3.992 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000570514513 323061402 /nfs/dbraw/zinc/06/14/02/323061402.db2.gz OQYSRPIFGMUTRE-MELADBBJSA-N 1 0 227.367 3.992 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000570514514 323061412 /nfs/dbraw/zinc/06/14/12/323061412.db2.gz OQYSRPIFGMUTRE-MJBXVCDLSA-N 1 0 227.367 3.992 20 0 BHADRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)cs1 ZINC000570516244 323061556 /nfs/dbraw/zinc/06/15/56/323061556.db2.gz XXPQPXWVEVRSBD-UHFFFAOYSA-N 1 0 223.385 3.677 20 0 BHADRO Cc1cnccc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000570516250 323061567 /nfs/dbraw/zinc/06/15/67/323061567.db2.gz ZCGTWGYDKZWCGE-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccncc1C)C1CCC1 ZINC000570516983 323061617 /nfs/dbraw/zinc/06/16/17/323061617.db2.gz SPPWJKYDAXSPQM-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccncc1C)C1CCC1 ZINC000570516984 323061672 /nfs/dbraw/zinc/06/16/72/323061672.db2.gz SPPWJKYDAXSPQM-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CC1)C1=CCCC1 ZINC000570528476 323062433 /nfs/dbraw/zinc/06/24/33/323062433.db2.gz YSFOUGPJYUBQMK-UHFFFAOYSA-N 1 0 207.361 3.513 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)C(C)(C)C)c1 ZINC000570568008 323063446 /nfs/dbraw/zinc/06/34/46/323063446.db2.gz BFCWHNRRODFIER-UHFFFAOYSA-N 1 0 235.371 3.704 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000570587480 323064170 /nfs/dbraw/zinc/06/41/70/323064170.db2.gz HXNNBUQVBNKOTN-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000570587481 323064169 /nfs/dbraw/zinc/06/41/69/323064169.db2.gz HXNNBUQVBNKOTN-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCC23CCC3)s1 ZINC000570589253 323064228 /nfs/dbraw/zinc/06/42/28/323064228.db2.gz PXQVFLYPQLMAEV-UHFFFAOYSA-N 1 0 235.396 3.829 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]1C)CCC2 ZINC000570606444 346356630 /nfs/dbraw/zinc/35/66/30/346356630.db2.gz QJIKACYAFILIJS-BJJXKVORSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H]1C)CCC2 ZINC000570606445 346356360 /nfs/dbraw/zinc/35/63/60/346356360.db2.gz QJIKACYAFILIJS-INWMFGNUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)CCC2 ZINC000570606446 346356406 /nfs/dbraw/zinc/35/64/06/346356406.db2.gz QJIKACYAFILIJS-NOLJZWGESA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]1C)CCC2 ZINC000570606447 346356557 /nfs/dbraw/zinc/35/65/57/346356557.db2.gz QJIKACYAFILIJS-XPKDYRNWSA-N 1 0 229.367 3.618 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000570609708 346357119 /nfs/dbraw/zinc/35/71/19/346357119.db2.gz MOZMJKQGBVTPER-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000570609709 346357643 /nfs/dbraw/zinc/35/76/43/346357643.db2.gz MOZMJKQGBVTPER-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000570619060 323064465 /nfs/dbraw/zinc/06/44/65/323064465.db2.gz LBTLHPGQWXVIRD-INIZCTEOSA-N 1 0 249.373 3.609 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000570619061 323064441 /nfs/dbraw/zinc/06/44/41/323064441.db2.gz LBTLHPGQWXVIRD-MRXNPFEDSA-N 1 0 249.373 3.609 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000570631517 346364541 /nfs/dbraw/zinc/36/45/41/346364541.db2.gz CDKRBUZARVMVSH-GXTWGEPZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000570631520 346364588 /nfs/dbraw/zinc/36/45/88/346364588.db2.gz CDKRBUZARVMVSH-JSGCOSHPSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000570631521 346364664 /nfs/dbraw/zinc/36/46/64/346364664.db2.gz CDKRBUZARVMVSH-OCCSQVGLSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000570631522 346364456 /nfs/dbraw/zinc/36/44/56/346364456.db2.gz CDKRBUZARVMVSH-TZMCWYRMSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+]C2(CF)CCC2)cc1 ZINC000570633185 323065350 /nfs/dbraw/zinc/06/53/50/323065350.db2.gz HGRKHOLPJKDDKB-AWEZNQCLSA-N 1 0 249.373 3.798 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+]C2(CF)CCC2)cc1 ZINC000570633191 323065378 /nfs/dbraw/zinc/06/53/78/323065378.db2.gz HGRKHOLPJKDDKB-CQSZACIVSA-N 1 0 249.373 3.798 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1(CF)CCC1 ZINC000570633456 323065340 /nfs/dbraw/zinc/06/53/40/323065340.db2.gz WLXGDIKPAMXPTH-GFCCVEGCSA-N 1 0 213.340 3.603 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1(CF)CCC1 ZINC000570633457 323065324 /nfs/dbraw/zinc/06/53/24/323065324.db2.gz WLXGDIKPAMXPTH-LBPRGKRZSA-N 1 0 213.340 3.603 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000570634545 323065516 /nfs/dbraw/zinc/06/55/16/323065516.db2.gz MGAKJTGZRQNLAN-INIZCTEOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000570634546 323065469 /nfs/dbraw/zinc/06/54/69/323065469.db2.gz MGAKJTGZRQNLAN-MRXNPFEDSA-N 1 0 243.394 3.802 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccc(C)s2)c1 ZINC000570687564 323066886 /nfs/dbraw/zinc/06/68/86/323066886.db2.gz JDZYJGLEOMTVQM-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000570689071 323067222 /nfs/dbraw/zinc/06/72/22/323067222.db2.gz HIYVFTHBDSQALJ-CABCVRRESA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000570689074 323067220 /nfs/dbraw/zinc/06/72/20/323067220.db2.gz HIYVFTHBDSQALJ-GJZGRUSLSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000570689075 323067213 /nfs/dbraw/zinc/06/72/13/323067213.db2.gz HIYVFTHBDSQALJ-HUUCEWRRSA-N 1 0 249.373 3.783 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000570689076 323067287 /nfs/dbraw/zinc/06/72/87/323067287.db2.gz HIYVFTHBDSQALJ-LSDHHAIUSA-N 1 0 249.373 3.783 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000570691974 323067460 /nfs/dbraw/zinc/06/74/60/323067460.db2.gz YWAUHZDMETXXHT-ILXRZTDVSA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000570691975 323067371 /nfs/dbraw/zinc/06/73/71/323067371.db2.gz YWAUHZDMETXXHT-KKUMJFAQSA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000570691976 323067353 /nfs/dbraw/zinc/06/73/53/323067353.db2.gz YWAUHZDMETXXHT-QLFBSQMISA-N 1 0 242.451 3.520 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000570691977 323067430 /nfs/dbraw/zinc/06/74/30/323067430.db2.gz YWAUHZDMETXXHT-SOUVJXGZSA-N 1 0 242.451 3.520 20 0 BHADRO Cc1cnc(CC[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000570712737 323068362 /nfs/dbraw/zinc/06/83/62/323068362.db2.gz QTJQCXQYYWCNIU-GASCZTMLSA-N 1 0 246.398 3.504 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000570719348 323068614 /nfs/dbraw/zinc/06/86/14/323068614.db2.gz MFRFOEFZYDZLQI-ILXRZTDVSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000570719349 323068589 /nfs/dbraw/zinc/06/85/89/323068589.db2.gz MFRFOEFZYDZLQI-KFWWJZLASA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000570719350 323068559 /nfs/dbraw/zinc/06/85/59/323068559.db2.gz MFRFOEFZYDZLQI-QLFBSQMISA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000570719351 323068514 /nfs/dbraw/zinc/06/85/14/323068514.db2.gz MFRFOEFZYDZLQI-RBSFLKMASA-N 1 0 239.378 3.826 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000570721059 323068683 /nfs/dbraw/zinc/06/86/83/323068683.db2.gz UDNUSQCYKNCCCU-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000570721064 323068722 /nfs/dbraw/zinc/06/87/22/323068722.db2.gz UDNUSQCYKNCCCU-BYNSBNAKSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000570721065 323068657 /nfs/dbraw/zinc/06/86/57/323068657.db2.gz UDNUSQCYKNCCCU-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000570721066 323068661 /nfs/dbraw/zinc/06/86/61/323068661.db2.gz UDNUSQCYKNCCCU-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)C[N@H+](C/C=C\c2ccccc2)[C@@H]1C1CC1 ZINC000570735639 323068904 /nfs/dbraw/zinc/06/89/04/323068904.db2.gz ABKBSPOUYPNDIC-CXOKCQFOSA-N 1 0 241.378 3.820 20 0 BHADRO CC1(C)C[N@H+](C/C=C/c2ccccc2)[C@H]1C1CC1 ZINC000570735640 323069009 /nfs/dbraw/zinc/06/90/09/323069009.db2.gz ABKBSPOUYPNDIC-FSNWXROXSA-N 1 0 241.378 3.820 20 0 BHADRO CC1(C)C[N@H+](C/C=C\c2ccccc2)[C@H]1C1CC1 ZINC000570735641 323069033 /nfs/dbraw/zinc/06/90/33/323069033.db2.gz ABKBSPOUYPNDIC-HWYHOQROSA-N 1 0 241.378 3.820 20 0 BHADRO CC1(C)C[N@H+](C/C=C/c2ccccc2)[C@@H]1C1CC1 ZINC000570735642 323068960 /nfs/dbraw/zinc/06/89/60/323068960.db2.gz ABKBSPOUYPNDIC-YXMGTMDOSA-N 1 0 241.378 3.820 20 0 BHADRO CCC1(C[NH2+][C@@H]2CC=C(C)CC2)CCC1 ZINC000570746769 323069253 /nfs/dbraw/zinc/06/92/53/323069253.db2.gz BNDQFNWMMVXTKN-CYBMUJFWSA-N 1 0 207.361 3.655 20 0 BHADRO CCC1(C[NH2+][C@H]2CC=C(C)CC2)CCC1 ZINC000570746770 323069287 /nfs/dbraw/zinc/06/92/87/323069287.db2.gz BNDQFNWMMVXTKN-ZDUSSCGKSA-N 1 0 207.361 3.655 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1C ZINC000570749113 323069219 /nfs/dbraw/zinc/06/92/19/323069219.db2.gz OTNLLIISWGNXKG-DRZSPHRISA-N 1 0 239.309 3.608 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1C ZINC000570749117 323069306 /nfs/dbraw/zinc/06/93/06/323069306.db2.gz OTNLLIISWGNXKG-WXHSDQCUSA-N 1 0 239.309 3.608 20 0 BHADRO C[C@H](Cc1ccsc1)[N@H+](C)C1(C)CCCC1 ZINC000570753033 323069366 /nfs/dbraw/zinc/06/93/66/323069366.db2.gz ZCRHEYVPSMYNTH-GFCCVEGCSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@H+](C)C1(C)CCCC1 ZINC000570753034 323069385 /nfs/dbraw/zinc/06/93/85/323069385.db2.gz ZCRHEYVPSMYNTH-LBPRGKRZSA-N 1 0 237.412 3.944 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccc(C)nc1)C1CCC1 ZINC000570761683 323069545 /nfs/dbraw/zinc/06/95/45/323069545.db2.gz DQRWHEIQIQNYNO-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccc(C)nc1)C1CCC1 ZINC000570761684 323069536 /nfs/dbraw/zinc/06/95/36/323069536.db2.gz DQRWHEIQIQNYNO-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1(F)CCC1 ZINC000570787870 323070096 /nfs/dbraw/zinc/07/00/96/323070096.db2.gz GUYYCWPVDJQQJW-DOMZBBRYSA-N 1 0 247.357 3.792 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000570787871 323070222 /nfs/dbraw/zinc/07/02/22/323070222.db2.gz GUYYCWPVDJQQJW-IUODEOHRSA-N 1 0 247.357 3.792 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000570787872 323070209 /nfs/dbraw/zinc/07/02/09/323070209.db2.gz GUYYCWPVDJQQJW-SWLSCSKDSA-N 1 0 247.357 3.792 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC1(F)CCC1 ZINC000570787873 323070116 /nfs/dbraw/zinc/07/01/16/323070116.db2.gz GUYYCWPVDJQQJW-WFASDCNBSA-N 1 0 247.357 3.792 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1Cl)C(C)C ZINC000570819770 323071673 /nfs/dbraw/zinc/07/16/73/323071673.db2.gz WLKXQTKKJRHHOT-UHFFFAOYSA-N 1 0 229.726 3.709 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000570820288 323071591 /nfs/dbraw/zinc/07/15/91/323071591.db2.gz FYEHTHCPRUVDMV-KGLIPLIRSA-N 1 0 249.398 3.571 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000570820293 323071620 /nfs/dbraw/zinc/07/16/20/323071620.db2.gz FYEHTHCPRUVDMV-ZIAGYGMSSA-N 1 0 249.398 3.571 20 0 BHADRO CCCC[N@H+](Cc1ccno1)C1CCCCC1 ZINC000570830042 323071748 /nfs/dbraw/zinc/07/17/48/323071748.db2.gz JAHHSWUTIZIUQF-UHFFFAOYSA-N 1 0 236.359 3.609 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000570841056 323072365 /nfs/dbraw/zinc/07/23/65/323072365.db2.gz AIIOPGXPMXHKFC-GRYCIOLGSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000570841057 323072283 /nfs/dbraw/zinc/07/22/83/323072283.db2.gz AIIOPGXPMXHKFC-IJLUTSLNSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000570841058 323072390 /nfs/dbraw/zinc/07/23/90/323072390.db2.gz AIIOPGXPMXHKFC-UTUOFQBUSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000570841059 323072303 /nfs/dbraw/zinc/07/23/03/323072303.db2.gz AIIOPGXPMXHKFC-WOPDTQHZSA-N 1 0 215.356 3.681 20 0 BHADRO Cc1cc(C)cc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000570843819 323072250 /nfs/dbraw/zinc/07/22/50/323072250.db2.gz UVVSSBIRQLVNRF-UHFFFAOYSA-N 1 0 243.394 3.925 20 0 BHADRO FCC1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000570844728 323072421 /nfs/dbraw/zinc/07/24/21/323072421.db2.gz BBPOBUPUOVCZFB-CABCVRRESA-N 1 0 247.357 3.805 20 0 BHADRO FCC1([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000570844729 323072468 /nfs/dbraw/zinc/07/24/68/323072468.db2.gz BBPOBUPUOVCZFB-GJZGRUSLSA-N 1 0 247.357 3.805 20 0 BHADRO FCC1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000570844731 323072439 /nfs/dbraw/zinc/07/24/39/323072439.db2.gz BBPOBUPUOVCZFB-HUUCEWRRSA-N 1 0 247.357 3.805 20 0 BHADRO FCC1([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000570844732 323072423 /nfs/dbraw/zinc/07/24/23/323072423.db2.gz BBPOBUPUOVCZFB-LSDHHAIUSA-N 1 0 247.357 3.805 20 0 BHADRO FC(F)(F)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000570886405 323073376 /nfs/dbraw/zinc/07/33/76/323073376.db2.gz VPPSMNJLFRDWLY-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CC(C2CCC2)C1 ZINC000570886559 323073374 /nfs/dbraw/zinc/07/33/74/323073374.db2.gz YJXGEYTZZPJOAD-GXDHUFHOSA-N 1 0 241.378 3.822 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CC(C2CCC2)C1 ZINC000570886560 323073379 /nfs/dbraw/zinc/07/33/79/323073379.db2.gz YJXGEYTZZPJOAD-UVTDQMKNSA-N 1 0 241.378 3.822 20 0 BHADRO CC1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000570895393 323073524 /nfs/dbraw/zinc/07/35/24/323073524.db2.gz KJJFMYDRSAKYPU-UHFFFAOYSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1cnccc1C[NH2+][C@H](C)CC1CCCCC1 ZINC000570912650 323073958 /nfs/dbraw/zinc/07/39/58/323073958.db2.gz CZXDPPKWZWECQV-CQSZACIVSA-N 1 0 246.398 3.839 20 0 BHADRO CCC(CC)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000570913223 323074052 /nfs/dbraw/zinc/07/40/52/323074052.db2.gz JFEJSAPDWREBGX-UHFFFAOYSA-N 1 0 231.330 3.685 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CCCC1CC1 ZINC000570917309 323074179 /nfs/dbraw/zinc/07/41/79/323074179.db2.gz DTNUAEATHUVTNP-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CCCC1CC1 ZINC000570917310 323074151 /nfs/dbraw/zinc/07/41/51/323074151.db2.gz DTNUAEATHUVTNP-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570917322 323074131 /nfs/dbraw/zinc/07/41/31/323074131.db2.gz HDMUZOGCQYFFKX-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570917323 323074150 /nfs/dbraw/zinc/07/41/50/323074150.db2.gz HDMUZOGCQYFFKX-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570917324 323074207 /nfs/dbraw/zinc/07/42/07/323074207.db2.gz HDMUZOGCQYFFKX-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000570917325 323074175 /nfs/dbraw/zinc/07/41/75/323074175.db2.gz HDMUZOGCQYFFKX-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000570938508 323074950 /nfs/dbraw/zinc/07/49/50/323074950.db2.gz GKRBDTVOXGRDLS-DOMZBBRYSA-N 1 0 247.382 3.672 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000570938509 323074876 /nfs/dbraw/zinc/07/48/76/323074876.db2.gz GKRBDTVOXGRDLS-IUODEOHRSA-N 1 0 247.382 3.672 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000570938510 323074836 /nfs/dbraw/zinc/07/48/36/323074836.db2.gz GKRBDTVOXGRDLS-SWLSCSKDSA-N 1 0 247.382 3.672 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000570938511 323074830 /nfs/dbraw/zinc/07/48/30/323074830.db2.gz GKRBDTVOXGRDLS-WFASDCNBSA-N 1 0 247.382 3.672 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000570943571 323076309 /nfs/dbraw/zinc/07/63/09/323076309.db2.gz YLMCPUKIGJNDCN-DZKIICNBSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000570943572 323076260 /nfs/dbraw/zinc/07/62/60/323076260.db2.gz YLMCPUKIGJNDCN-FMKPAKJESA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000570943573 323076321 /nfs/dbraw/zinc/07/63/21/323076321.db2.gz YLMCPUKIGJNDCN-LZWOXQAQSA-N 1 0 245.341 3.546 20 0 BHADRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000570943574 323076282 /nfs/dbraw/zinc/07/62/82/323076282.db2.gz YLMCPUKIGJNDCN-YCPHGPKFSA-N 1 0 245.341 3.546 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570944222 323076412 /nfs/dbraw/zinc/07/64/12/323076412.db2.gz RNJQYNOIXMNCMC-GLQYFDAESA-N 1 0 241.334 3.711 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570944223 323076432 /nfs/dbraw/zinc/07/64/32/323076432.db2.gz RNJQYNOIXMNCMC-NILFDRSVSA-N 1 0 241.334 3.711 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000570963859 350667693 /nfs/dbraw/zinc/66/76/93/350667693.db2.gz UKUFCZQAHZHOGJ-KOJAKUIZSA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000570963860 350667533 /nfs/dbraw/zinc/66/75/33/350667533.db2.gz UKUFCZQAHZHOGJ-PRYPJVTBSA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000570963861 350667834 /nfs/dbraw/zinc/66/78/34/350667834.db2.gz UKUFCZQAHZHOGJ-PUCGFSNJSA-N 1 0 233.330 3.570 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000570963862 350667714 /nfs/dbraw/zinc/66/77/14/350667714.db2.gz UKUFCZQAHZHOGJ-XMSFRJSPSA-N 1 0 233.330 3.570 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CC3)ccc1F ZINC000570986439 323102887 /nfs/dbraw/zinc/10/28/87/323102887.db2.gz CQXOSQKGZICRPH-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CC3)ccc1F ZINC000570986440 323102885 /nfs/dbraw/zinc/10/28/85/323102885.db2.gz CQXOSQKGZICRPH-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000570986689 323102947 /nfs/dbraw/zinc/10/29/47/323102947.db2.gz LAZVYPULKUCPFB-CYBMUJFWSA-N 1 0 235.396 3.603 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CCCC23CC3)c1 ZINC000570986690 323103033 /nfs/dbraw/zinc/10/30/33/323103033.db2.gz LAZVYPULKUCPFB-ZDUSSCGKSA-N 1 0 235.396 3.603 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccc(O)c1 ZINC000570988321 323103150 /nfs/dbraw/zinc/10/31/50/323103150.db2.gz PIHSEADTPNYFDT-HFBAOOFYSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccc(O)c1 ZINC000570988322 323103144 /nfs/dbraw/zinc/10/31/44/323103144.db2.gz PIHSEADTPNYFDT-LYRGGWFBSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1cccc(O)c1 ZINC000570988323 323103101 /nfs/dbraw/zinc/10/31/01/323103101.db2.gz PIHSEADTPNYFDT-RLCCDNCMSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccc(O)c1 ZINC000570988324 323103089 /nfs/dbraw/zinc/10/30/89/323103089.db2.gz PIHSEADTPNYFDT-XFBWCDHKSA-N 1 0 245.366 3.622 20 0 BHADRO CCC1CC([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC000570990732 323103236 /nfs/dbraw/zinc/10/32/36/323103236.db2.gz NDERDDSKLNGWTR-UHFFFAOYSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1(C)CC1 ZINC000570996633 323103382 /nfs/dbraw/zinc/10/33/82/323103382.db2.gz QIJOQONRVCFTRO-DZGCQCFKSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1(C)CC1 ZINC000570996634 323103448 /nfs/dbraw/zinc/10/34/48/323103448.db2.gz QIJOQONRVCFTRO-HIFRSBDPSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1(C)CC1 ZINC000570996635 323103399 /nfs/dbraw/zinc/10/33/99/323103399.db2.gz QIJOQONRVCFTRO-UKRRQHHQSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1(C)CC1 ZINC000570996636 323103397 /nfs/dbraw/zinc/10/33/97/323103397.db2.gz QIJOQONRVCFTRO-ZFWWWQNUSA-N 1 0 229.367 3.665 20 0 BHADRO CCC(CC)[N@H+](CC)CCCc1ccc(C)nc1 ZINC000571006806 323103444 /nfs/dbraw/zinc/10/34/44/323103444.db2.gz MCVAVUCXUYEQEQ-UHFFFAOYSA-N 1 0 248.414 3.833 20 0 BHADRO Cc1cnccc1C[NH+](CC(C)C)CC(C)C ZINC000571030349 323104061 /nfs/dbraw/zinc/10/40/61/323104061.db2.gz UGZUSCFPYFQNAA-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000571032132 323104122 /nfs/dbraw/zinc/10/41/22/323104122.db2.gz IBCXZCSOQIJVKH-NHAGDIPZSA-N 1 0 239.403 3.502 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+]CCCC1CC1 ZINC000571061918 350726222 /nfs/dbraw/zinc/72/62/22/350726222.db2.gz WZUKBSFTMFWWCN-UHFFFAOYSA-N 1 0 247.382 3.537 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000571067262 323134555 /nfs/dbraw/zinc/13/45/55/323134555.db2.gz CYNWBBXPJLSMBO-DMRZNYOFSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000571067263 323134610 /nfs/dbraw/zinc/13/46/10/323134610.db2.gz CYNWBBXPJLSMBO-OEAJRASXSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000571067264 323134567 /nfs/dbraw/zinc/13/45/67/323134567.db2.gz CYNWBBXPJLSMBO-OJLVUWQFSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000571067265 323134526 /nfs/dbraw/zinc/13/45/26/323134526.db2.gz CYNWBBXPJLSMBO-SYAUCNOPSA-N 1 0 229.367 3.711 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c(C)c1 ZINC000571072766 323134684 /nfs/dbraw/zinc/13/46/84/323134684.db2.gz WKOMQDYDMYRRNE-BFHYXJOUSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c(C)c1 ZINC000571072780 323134692 /nfs/dbraw/zinc/13/46/92/323134692.db2.gz WKOMQDYDMYRRNE-IHRRRGAJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c(C)c1 ZINC000571072786 323134780 /nfs/dbraw/zinc/13/47/80/323134780.db2.gz WKOMQDYDMYRRNE-MELADBBJSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c(C)c1 ZINC000571072787 323134751 /nfs/dbraw/zinc/13/47/51/323134751.db2.gz WKOMQDYDMYRRNE-MJBXVCDLSA-N 1 0 235.346 3.845 20 0 BHADRO C[C@H](C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000571082815 323134998 /nfs/dbraw/zinc/13/49/98/323134998.db2.gz ZAYJUPWXSXMSCV-CYBMUJFWSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000571082816 323135044 /nfs/dbraw/zinc/13/50/44/323135044.db2.gz ZAYJUPWXSXMSCV-ZDUSSCGKSA-N 1 0 217.356 3.665 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c(C)s1 ZINC000571083998 323135140 /nfs/dbraw/zinc/13/51/40/323135140.db2.gz YTNZDFLOYKLOKJ-CHWSQXEVSA-N 1 0 241.375 3.735 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)c(C)s1 ZINC000571083999 323135213 /nfs/dbraw/zinc/13/52/13/323135213.db2.gz YTNZDFLOYKLOKJ-OLZOCXBDSA-N 1 0 241.375 3.735 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)c(C)s1 ZINC000571084000 323135169 /nfs/dbraw/zinc/13/51/69/323135169.db2.gz YTNZDFLOYKLOKJ-QWHCGFSZSA-N 1 0 241.375 3.735 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)c(C)s1 ZINC000571084001 323135225 /nfs/dbraw/zinc/13/52/25/323135225.db2.gz YTNZDFLOYKLOKJ-STQMWFEESA-N 1 0 241.375 3.735 20 0 BHADRO C[C@H](C[NH2+]CCC1(F)CCC1)c1ccccc1 ZINC000571091368 323135109 /nfs/dbraw/zinc/13/51/09/323135109.db2.gz SFBNKFYUSQPGQL-CYBMUJFWSA-N 1 0 235.346 3.662 20 0 BHADRO C[C@@H](C[NH2+]CCC1(F)CCC1)c1ccccc1 ZINC000571091369 323135232 /nfs/dbraw/zinc/13/52/32/323135232.db2.gz SFBNKFYUSQPGQL-ZDUSSCGKSA-N 1 0 235.346 3.662 20 0 BHADRO CC1CCC(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000571092359 323135153 /nfs/dbraw/zinc/13/51/53/323135153.db2.gz MDLZSTYYZIUGFD-CPCZMJQVSA-N 1 0 245.357 3.790 20 0 BHADRO CC1CCC(C[N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000571092360 323135157 /nfs/dbraw/zinc/13/51/57/323135157.db2.gz MDLZSTYYZIUGFD-OTTFEQOBSA-N 1 0 245.357 3.790 20 0 BHADRO C[N@H+](C[C@@H]1Cc2ccccc21)C1(C)CCCC1 ZINC000571098493 323135284 /nfs/dbraw/zinc/13/52/84/323135284.db2.gz GPKGWXYJWZRQGS-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO C[N@H+](C[C@H]1Cc2ccccc21)C1(C)CCCC1 ZINC000571098494 323135252 /nfs/dbraw/zinc/13/52/52/323135252.db2.gz GPKGWXYJWZRQGS-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO Fc1cccc(C=C2CC[NH+](C3CCC3)CC2)c1 ZINC000571101813 323135373 /nfs/dbraw/zinc/13/53/73/323135373.db2.gz IJLXVFCNGRFKAJ-UHFFFAOYSA-N 1 0 245.341 3.857 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCCC12CC2)CC(F)(F)F ZINC000571107040 323135734 /nfs/dbraw/zinc/13/57/34/323135734.db2.gz WFNOCCHDWRXLKF-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCCC12CC2)CC(F)(F)F ZINC000571107041 323135758 /nfs/dbraw/zinc/13/57/58/323135758.db2.gz WFNOCCHDWRXLKF-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC12CC2)CC(F)(F)F ZINC000571107042 323135783 /nfs/dbraw/zinc/13/57/83/323135783.db2.gz WFNOCCHDWRXLKF-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC12CC2)CC(F)(F)F ZINC000571107043 323135792 /nfs/dbraw/zinc/13/57/92/323135792.db2.gz WFNOCCHDWRXLKF-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112216 323135892 /nfs/dbraw/zinc/13/58/92/323135892.db2.gz SUMWLSSPKMLBRF-GXTWGEPZSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112217 323135854 /nfs/dbraw/zinc/13/58/54/323135854.db2.gz SUMWLSSPKMLBRF-JSGCOSHPSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112218 323135820 /nfs/dbraw/zinc/13/58/20/323135820.db2.gz SUMWLSSPKMLBRF-OCCSQVGLSA-N 1 0 249.402 3.809 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112219 323135927 /nfs/dbraw/zinc/13/59/27/323135927.db2.gz SUMWLSSPKMLBRF-TZMCWYRMSA-N 1 0 249.402 3.809 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)c(C)c1 ZINC000571112784 490262105 /nfs/dbraw/zinc/26/21/05/490262105.db2.gz PSESKNXJCQJKPH-DOMZBBRYSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)c(C)c1 ZINC000571112785 490262186 /nfs/dbraw/zinc/26/21/86/490262186.db2.gz PSESKNXJCQJKPH-IUODEOHRSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)c(C)c1 ZINC000571112786 490262002 /nfs/dbraw/zinc/26/20/02/490262002.db2.gz PSESKNXJCQJKPH-SWLSCSKDSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)c(C)c1 ZINC000571112787 490262069 /nfs/dbraw/zinc/26/20/69/490262069.db2.gz PSESKNXJCQJKPH-WFASDCNBSA-N 1 0 247.382 3.528 20 0 BHADRO CC(C)CC[N@H+](C)CCCOCc1ccccc1 ZINC000571123813 323136186 /nfs/dbraw/zinc/13/61/86/323136186.db2.gz HGULLHMMNMQBMW-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCCCc1ccccc1 ZINC000571137305 323136464 /nfs/dbraw/zinc/13/64/64/323136464.db2.gz RVYLVOJGJFYRKJ-AWEZNQCLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCCCc1ccccc1 ZINC000571137310 323136420 /nfs/dbraw/zinc/13/64/20/323136420.db2.gz RVYLVOJGJFYRKJ-CQSZACIVSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000571150762 323136543 /nfs/dbraw/zinc/13/65/43/323136543.db2.gz DEOCJTKCDPWGJC-KBPBESRZSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000571150763 323136598 /nfs/dbraw/zinc/13/65/98/323136598.db2.gz DEOCJTKCDPWGJC-KGLIPLIRSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)c1ccccc1 ZINC000571150764 323136599 /nfs/dbraw/zinc/13/65/99/323136599.db2.gz DEOCJTKCDPWGJC-UONOGXRCSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000571150765 323136549 /nfs/dbraw/zinc/13/65/49/323136549.db2.gz DEOCJTKCDPWGJC-ZIAGYGMSSA-N 1 0 243.350 3.604 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000571156587 323136802 /nfs/dbraw/zinc/13/68/02/323136802.db2.gz BLRGWCZFKPSYMV-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000571156588 323136806 /nfs/dbraw/zinc/13/68/06/323136806.db2.gz BLRGWCZFKPSYMV-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000571156589 323136783 /nfs/dbraw/zinc/13/67/83/323136783.db2.gz BLRGWCZFKPSYMV-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000571156590 323136767 /nfs/dbraw/zinc/13/67/67/323136767.db2.gz BLRGWCZFKPSYMV-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cc(C[NH2+]C2(CF)CCC2)ccc1Cl ZINC000571164307 323137037 /nfs/dbraw/zinc/13/70/37/323137037.db2.gz DMAMWYAQNHBZDJ-UHFFFAOYSA-N 1 0 241.737 3.630 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)s1 ZINC000571177745 323137093 /nfs/dbraw/zinc/13/70/93/323137093.db2.gz QYMCYVVALMIKOZ-CHWSQXEVSA-N 1 0 247.363 3.549 20 0 BHADRO C[NH2+]CCSC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000571179875 323137761 /nfs/dbraw/zinc/13/77/61/323137761.db2.gz XFNYCIAMGDIKGB-UKRRQHHQSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH+]1CC(C2CCC2)C1)c1ccccc1 ZINC000571208180 350870071 /nfs/dbraw/zinc/87/00/71/350870071.db2.gz QSJCUYPCQBRMKC-CYBMUJFWSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H](C[NH+]1CC(C2CCC2)C1)c1ccccc1 ZINC000571208181 350869918 /nfs/dbraw/zinc/86/99/18/350869918.db2.gz QSJCUYPCQBRMKC-ZDUSSCGKSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC1 ZINC000571220946 323138338 /nfs/dbraw/zinc/13/83/38/323138338.db2.gz OXWBQCCFIUWWBW-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC1 ZINC000571220947 323138229 /nfs/dbraw/zinc/13/82/29/323138229.db2.gz OXWBQCCFIUWWBW-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC1 ZINC000571220948 323138315 /nfs/dbraw/zinc/13/83/15/323138315.db2.gz OXWBQCCFIUWWBW-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC1 ZINC000571220949 323138296 /nfs/dbraw/zinc/13/82/96/323138296.db2.gz OXWBQCCFIUWWBW-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000571241675 323139250 /nfs/dbraw/zinc/13/92/50/323139250.db2.gz ZAKVLSJFAAWGKR-UHFFFAOYSA-N 1 0 229.323 3.831 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccc(C)cn1)C1CCC1 ZINC000571246658 323139233 /nfs/dbraw/zinc/13/92/33/323139233.db2.gz NGIYBPVFIRSFPD-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccc(C)cn1)C1CCC1 ZINC000571246663 323139223 /nfs/dbraw/zinc/13/92/23/323139223.db2.gz NGIYBPVFIRSFPD-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000571249045 323139172 /nfs/dbraw/zinc/13/91/72/323139172.db2.gz BAWBGIPOQWYKFY-JHJVBQTASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000571249049 323139133 /nfs/dbraw/zinc/13/91/33/323139133.db2.gz BAWBGIPOQWYKFY-UPJWGTAASA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000571249051 323139131 /nfs/dbraw/zinc/13/91/31/323139131.db2.gz BAWBGIPOQWYKFY-XQQFMLRXSA-N 1 0 236.359 3.602 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000571249052 323139081 /nfs/dbraw/zinc/13/90/81/323139081.db2.gz BAWBGIPOQWYKFY-YNEHKIRRSA-N 1 0 236.359 3.602 20 0 BHADRO CC(C)[N@H+](CC1Cc2ccccc2C1)C1CCC1 ZINC000571251657 323139129 /nfs/dbraw/zinc/13/91/29/323139129.db2.gz LSAWFMDCJFOMJH-UHFFFAOYSA-N 1 0 243.394 3.664 20 0 BHADRO CC(C)([NH2+]CCc1cccc(Cl)c1)C1CC1 ZINC000571262051 323139419 /nfs/dbraw/zinc/13/94/19/323139419.db2.gz MYLFAWOUCNBBHC-UHFFFAOYSA-N 1 0 237.774 3.661 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000571265610 323139576 /nfs/dbraw/zinc/13/95/76/323139576.db2.gz KHWAQCDBFQYKAC-DDUYRFODSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000571265611 323139627 /nfs/dbraw/zinc/13/96/27/323139627.db2.gz KHWAQCDBFQYKAC-JMGFVUJMSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000571265612 323139592 /nfs/dbraw/zinc/13/95/92/323139592.db2.gz KHWAQCDBFQYKAC-WXYCVUISSA-N 1 0 247.382 3.687 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000571265613 323139572 /nfs/dbraw/zinc/13/95/72/323139572.db2.gz KHWAQCDBFQYKAC-YUDUHTQSSA-N 1 0 247.382 3.687 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccs1 ZINC000571276129 323140103 /nfs/dbraw/zinc/14/01/03/323140103.db2.gz HZZWDNKFESKHHF-JTQLQIEISA-N 1 0 211.374 3.662 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccs1 ZINC000571276130 323140100 /nfs/dbraw/zinc/14/01/00/323140100.db2.gz HZZWDNKFESKHHF-SNVBAGLBSA-N 1 0 211.374 3.662 20 0 BHADRO C[N@H+](Cc1nc(C(C)(C)C)cs1)C(C)(C)C ZINC000571281700 323139911 /nfs/dbraw/zinc/13/99/11/323139911.db2.gz ORYPBOMFQAYORZ-UHFFFAOYSA-N 1 0 240.416 3.671 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000571294078 323140521 /nfs/dbraw/zinc/14/05/21/323140521.db2.gz ZHCYUHBAVZCLPA-LSDHHAIUSA-N 1 0 235.346 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000571307920 323140987 /nfs/dbraw/zinc/14/09/87/323140987.db2.gz UQIGZTUVYFRSBI-CYBMUJFWSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000571307921 323140974 /nfs/dbraw/zinc/14/09/74/323140974.db2.gz UQIGZTUVYFRSBI-ZDUSSCGKSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000571350652 323142356 /nfs/dbraw/zinc/14/23/56/323142356.db2.gz YEWGGOZZXLGMLI-HNNXBMFYSA-N 1 0 243.394 3.805 20 0 BHADRO Cc1ccccc1C1(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000571350653 323142291 /nfs/dbraw/zinc/14/22/91/323142291.db2.gz YEWGGOZZXLGMLI-OAHLLOKOSA-N 1 0 243.394 3.805 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000571358794 323142624 /nfs/dbraw/zinc/14/26/24/323142624.db2.gz FCUSJQLVCUFHME-ABAIWWIYSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000571358797 323142660 /nfs/dbraw/zinc/14/26/60/323142660.db2.gz FCUSJQLVCUFHME-IAQYHMDHSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000571358798 323142717 /nfs/dbraw/zinc/14/27/17/323142717.db2.gz FCUSJQLVCUFHME-NHYWBVRUSA-N 1 0 227.351 3.767 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)c2ccccc21 ZINC000571358799 323142693 /nfs/dbraw/zinc/14/26/93/323142693.db2.gz FCUSJQLVCUFHME-XHDPSFHLSA-N 1 0 227.351 3.767 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000571368537 323142931 /nfs/dbraw/zinc/14/29/31/323142931.db2.gz NSSZWCQAZDWTBI-HUUCEWRRSA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000571368558 323142918 /nfs/dbraw/zinc/14/29/18/323142918.db2.gz NSSZWCQAZDWTBI-LSDHHAIUSA-N 1 0 242.451 3.520 20 0 BHADRO C[N@H+](Cc1cc2ccccc2o1)CC1(C)CC1 ZINC000571379593 323143155 /nfs/dbraw/zinc/14/31/55/323143155.db2.gz DPDNJGLGRYLTJT-UHFFFAOYSA-N 1 0 229.323 3.665 20 0 BHADRO C[C@]1([NH2+]Cc2cnc(C3CC3)s2)CC=CCC1 ZINC000571405361 323144036 /nfs/dbraw/zinc/14/40/36/323144036.db2.gz PTBUXEYEIZJGAH-AWEZNQCLSA-N 1 0 248.395 3.609 20 0 BHADRO C[C@@]1([NH2+]Cc2cnc(C3CC3)s2)CC=CCC1 ZINC000571405362 323144037 /nfs/dbraw/zinc/14/40/37/323144037.db2.gz PTBUXEYEIZJGAH-CQSZACIVSA-N 1 0 248.395 3.609 20 0 BHADRO CC[N@H+](CCc1ccncc1C)C1CCCCC1 ZINC000571436334 323144860 /nfs/dbraw/zinc/14/48/60/323144860.db2.gz KPCCIMGPVVMMMQ-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C)s1 ZINC000571448815 323145161 /nfs/dbraw/zinc/14/51/61/323145161.db2.gz XRQHHNULYFIPMU-CMPLNLGQSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C)s1 ZINC000571448816 323145190 /nfs/dbraw/zinc/14/51/90/323145190.db2.gz XRQHHNULYFIPMU-JQWIXIFHSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C)s1 ZINC000571448817 323145146 /nfs/dbraw/zinc/14/51/46/323145146.db2.gz XRQHHNULYFIPMU-PWSUYJOCSA-N 1 0 223.385 3.819 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C)s1 ZINC000571448818 323145217 /nfs/dbraw/zinc/14/52/17/323145217.db2.gz XRQHHNULYFIPMU-ZYHUDNBSSA-N 1 0 223.385 3.819 20 0 BHADRO CC1(C2CC2)CC[NH+](Cc2cccs2)CC1 ZINC000571452398 323145103 /nfs/dbraw/zinc/14/51/03/323145103.db2.gz VSJXCSUIPJKXMM-UHFFFAOYSA-N 1 0 235.396 3.760 20 0 BHADRO CC1(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000571473142 323145553 /nfs/dbraw/zinc/14/55/53/323145553.db2.gz UAZJYOGLDRGBNC-JTQLQIEISA-N 1 0 249.320 3.697 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000571473143 323145576 /nfs/dbraw/zinc/14/55/76/323145576.db2.gz UAZJYOGLDRGBNC-SNVBAGLBSA-N 1 0 249.320 3.697 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000571483805 323145844 /nfs/dbraw/zinc/14/58/44/323145844.db2.gz PJMOATVQUVANEC-GVDBMIGSSA-N 1 0 243.394 3.883 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000571483806 323145914 /nfs/dbraw/zinc/14/59/14/323145914.db2.gz PJMOATVQUVANEC-IXDOHACOSA-N 1 0 243.394 3.883 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)c1ccccc1 ZINC000571491087 351025825 /nfs/dbraw/zinc/02/58/25/351025825.db2.gz HLZXLGMEPSRNLN-AEGPPILISA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000571491088 351026086 /nfs/dbraw/zinc/02/60/86/351026086.db2.gz HLZXLGMEPSRNLN-BPLDGKMQSA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)c1ccccc1 ZINC000571491089 351025533 /nfs/dbraw/zinc/02/55/33/351025533.db2.gz HLZXLGMEPSRNLN-NWANDNLSSA-N 1 0 249.423 3.664 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000571491090 351025877 /nfs/dbraw/zinc/02/58/77/351025877.db2.gz HLZXLGMEPSRNLN-VHDGCEQUSA-N 1 0 249.423 3.664 20 0 BHADRO CC1(C[NH2+]CCc2csc3ccccc23)CC1 ZINC000571496447 323145992 /nfs/dbraw/zinc/14/59/92/323145992.db2.gz MKNMEBXSBGFUNQ-UHFFFAOYSA-N 1 0 245.391 3.834 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509968 323146368 /nfs/dbraw/zinc/14/63/68/323146368.db2.gz VPBHXYMOARSIRT-BYNSBNAKSA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509969 323146282 /nfs/dbraw/zinc/14/62/82/323146282.db2.gz VPBHXYMOARSIRT-KBXIAJHMSA-N 1 0 241.419 3.747 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000571531119 323147126 /nfs/dbraw/zinc/14/71/26/323147126.db2.gz CADVDYAOXZDQQN-HNNXBMFYSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000571531120 323147239 /nfs/dbraw/zinc/14/72/39/323147239.db2.gz CADVDYAOXZDQQN-OAHLLOKOSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1nccc2ccccc21 ZINC000571572470 323148226 /nfs/dbraw/zinc/14/82/26/323148226.db2.gz WRZDOUMJVJQLBX-DYEKYZERSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1nccc2ccccc21 ZINC000571572482 323148233 /nfs/dbraw/zinc/14/82/33/323148233.db2.gz WRZDOUMJVJQLBX-MBNYWOFBSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1nccc2ccccc21 ZINC000571572485 323148180 /nfs/dbraw/zinc/14/81/80/323148180.db2.gz WRZDOUMJVJQLBX-OBJOEFQTSA-N 1 0 240.350 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1nccc2ccccc21 ZINC000571572486 323148152 /nfs/dbraw/zinc/14/81/52/323148152.db2.gz WRZDOUMJVJQLBX-SGMGOOAPSA-N 1 0 240.350 3.541 20 0 BHADRO CCC[C@H](C[NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000571572672 323148135 /nfs/dbraw/zinc/14/81/35/323148135.db2.gz ZZHLNKLOFPSGRY-CVEARBPZSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000571572673 323148261 /nfs/dbraw/zinc/14/82/61/323148261.db2.gz ZZHLNKLOFPSGRY-HOTGVXAUSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](C[NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000571572675 323148223 /nfs/dbraw/zinc/14/82/23/323148223.db2.gz ZZHLNKLOFPSGRY-HZPDHXFCSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@@H](C[NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000571572677 323148241 /nfs/dbraw/zinc/14/82/41/323148241.db2.gz ZZHLNKLOFPSGRY-JKSUJKDBSA-N 1 0 249.398 3.585 20 0 BHADRO CC1(C2CC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000571572968 323148130 /nfs/dbraw/zinc/14/81/30/323148130.db2.gz LVXCVHICQRSCBY-AWEZNQCLSA-N 1 0 219.372 3.607 20 0 BHADRO CC1(C2CC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000571572972 323148148 /nfs/dbraw/zinc/14/81/48/323148148.db2.gz LVXCVHICQRSCBY-CQSZACIVSA-N 1 0 219.372 3.607 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000571577664 323148474 /nfs/dbraw/zinc/14/84/74/323148474.db2.gz GXDWORDQZZEVNF-HNNXBMFYSA-N 1 0 249.423 3.967 20 0 BHADRO CCSCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000571577665 323148432 /nfs/dbraw/zinc/14/84/32/323148432.db2.gz GXDWORDQZZEVNF-OAHLLOKOSA-N 1 0 249.423 3.967 20 0 BHADRO CCC[N@H+](C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000571578947 323148412 /nfs/dbraw/zinc/14/84/12/323148412.db2.gz DFYHBNFFUJLFOI-AWEZNQCLSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[N@H+](C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000571578948 323148450 /nfs/dbraw/zinc/14/84/50/323148450.db2.gz DFYHBNFFUJLFOI-CQSZACIVSA-N 1 0 239.403 3.599 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)nc1 ZINC000571585074 323148912 /nfs/dbraw/zinc/14/89/12/323148912.db2.gz YTGLVPKBEFOVBX-HNNXBMFYSA-N 1 0 246.398 3.512 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)nc1 ZINC000571585075 323148845 /nfs/dbraw/zinc/14/88/45/323148845.db2.gz YTGLVPKBEFOVBX-OAHLLOKOSA-N 1 0 246.398 3.512 20 0 BHADRO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000571612175 323149141 /nfs/dbraw/zinc/14/91/41/323149141.db2.gz HJLVHASFUFOCCM-LOWDOPEQSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000571612176 323149243 /nfs/dbraw/zinc/14/92/43/323149243.db2.gz HJLVHASFUFOCCM-RVMXOQNASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000571612177 323149207 /nfs/dbraw/zinc/14/92/07/323149207.db2.gz HJLVHASFUFOCCM-WUHRBBMRSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1(C2CCC2)CCC1 ZINC000571622522 323149578 /nfs/dbraw/zinc/14/95/78/323149578.db2.gz YBDQJHCSOOCHGJ-CYBMUJFWSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1(C2CCC2)CCC1 ZINC000571622523 323149596 /nfs/dbraw/zinc/14/95/96/323149596.db2.gz YBDQJHCSOOCHGJ-ZDUSSCGKSA-N 1 0 247.382 3.913 20 0 BHADRO C1=C[C@H]([N@H+]2CCOC3(CCCC3)C2)CCCCC1 ZINC000571623571 323149648 /nfs/dbraw/zinc/14/96/48/323149648.db2.gz HKJYDSZHSUOETG-HNNXBMFYSA-N 1 0 249.398 3.520 20 0 BHADRO C1=C[C@@H]([N@H+]2CCOC3(CCCC3)C2)CCCCC1 ZINC000571623572 323149653 /nfs/dbraw/zinc/14/96/53/323149653.db2.gz HKJYDSZHSUOETG-OAHLLOKOSA-N 1 0 249.398 3.520 20 0 BHADRO CCc1ccc(C[NH2+]CCCC(C)(C)C)cn1 ZINC000571628159 323149926 /nfs/dbraw/zinc/14/99/26/323149926.db2.gz GAWFCMWAFYLCNJ-UHFFFAOYSA-N 1 0 234.387 3.560 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000571633117 323150168 /nfs/dbraw/zinc/15/01/68/323150168.db2.gz WKKZUTWJXURTAB-JTQLQIEISA-N 1 0 240.416 3.674 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000571633132 323150081 /nfs/dbraw/zinc/15/00/81/323150081.db2.gz WKKZUTWJXURTAB-SNVBAGLBSA-N 1 0 240.416 3.674 20 0 BHADRO Clc1cccc(CC[NH+]2C3CCC2CC3)c1 ZINC000571643272 323150661 /nfs/dbraw/zinc/15/06/61/323150661.db2.gz GMUGVZJKOMPZCO-UHFFFAOYSA-N 1 0 235.758 3.509 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(C)cc1OC ZINC000571662821 323174438 /nfs/dbraw/zinc/17/44/38/323174438.db2.gz AEBZKRKUJDMROK-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO CC[C@@H]1CC[C@@H]1Nc1cc(C[NH+](C)C)ccc1C ZINC000571663164 323174484 /nfs/dbraw/zinc/17/44/84/323174484.db2.gz WGVBQNXPLPLYEQ-CABCVRRESA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@@H]1Nc1cc(C[NH+](C)C)ccc1C ZINC000571663165 323174482 /nfs/dbraw/zinc/17/44/82/323174482.db2.gz WGVBQNXPLPLYEQ-GJZGRUSLSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CC[C@H]1Nc1cc(C[NH+](C)C)ccc1C ZINC000571663166 323174473 /nfs/dbraw/zinc/17/44/73/323174473.db2.gz WGVBQNXPLPLYEQ-HUUCEWRRSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CC[C@H]1Nc1cc(C[NH+](C)C)ccc1C ZINC000571663167 323174479 /nfs/dbraw/zinc/17/44/79/323174479.db2.gz WGVBQNXPLPLYEQ-LSDHHAIUSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000571663932 323174541 /nfs/dbraw/zinc/17/45/41/323174541.db2.gz LFNXEGSUNCYHCJ-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000571663933 323174532 /nfs/dbraw/zinc/17/45/32/323174532.db2.gz LFNXEGSUNCYHCJ-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000571663934 323174560 /nfs/dbraw/zinc/17/45/60/323174560.db2.gz LFNXEGSUNCYHCJ-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000571663935 323174556 /nfs/dbraw/zinc/17/45/56/323174556.db2.gz LFNXEGSUNCYHCJ-RDBSUJKOSA-N 1 0 241.419 3.748 20 0 BHADRO CCOc1ccc(C[N@H+](CC)[C@@H](C)C(C)C)cc1 ZINC000571667758 323175633 /nfs/dbraw/zinc/17/56/33/323175633.db2.gz LQILSXLYFXUIBG-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CCOc1ccc(C[N@H+](CC)[C@H](C)C(C)C)cc1 ZINC000571667762 323175669 /nfs/dbraw/zinc/17/56/69/323175669.db2.gz LQILSXLYFXUIBG-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1cscn1 ZINC000571702019 387149275 /nfs/dbraw/zinc/14/92/75/387149275.db2.gz ACQZSIHYPBDCQZ-JTQLQIEISA-N 1 0 226.389 3.763 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1cscn1 ZINC000571702020 323467518 /nfs/dbraw/zinc/46/75/18/323467518.db2.gz ACQZSIHYPBDCQZ-SNVBAGLBSA-N 1 0 226.389 3.763 20 0 BHADRO FC1(F)CC([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000571707195 387152209 /nfs/dbraw/zinc/15/22/09/387152209.db2.gz SNTUIXLLCHTCNI-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000571707196 387150799 /nfs/dbraw/zinc/15/07/99/387150799.db2.gz SNTUIXLLCHTCNI-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO CCC[N@H+](CCc1ccccn1)CCC(C)(C)C ZINC000571721024 387151252 /nfs/dbraw/zinc/15/12/52/387151252.db2.gz BVXGDOGHOQYGCH-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000571731691 387157694 /nfs/dbraw/zinc/15/76/94/387157694.db2.gz GFDRMSYBYFDFJO-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000571768516 387166281 /nfs/dbraw/zinc/16/62/81/387166281.db2.gz HXJZQZTYWRYKTN-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000571768519 323475389 /nfs/dbraw/zinc/47/53/89/323475389.db2.gz HXJZQZTYWRYKTN-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(Cl)cn1 ZINC000571798434 387173337 /nfs/dbraw/zinc/17/33/37/387173337.db2.gz XPSUYAOARVSPJI-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC(C)(F)F)c1ccccc1 ZINC000571824284 387177154 /nfs/dbraw/zinc/17/71/54/387177154.db2.gz TXXNZNICOONICU-CYBMUJFWSA-N 1 0 241.325 3.671 20 0 BHADRO CC(C)[C@H](C[NH2+]CC(C)(F)F)c1ccccc1 ZINC000571824285 387177134 /nfs/dbraw/zinc/17/71/34/387177134.db2.gz TXXNZNICOONICU-ZDUSSCGKSA-N 1 0 241.325 3.671 20 0 BHADRO COCC1([NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC000571852900 323493606 /nfs/dbraw/zinc/49/36/06/323493606.db2.gz MEVXOTFPQUNMKR-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO COCC1([NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000571852901 323493509 /nfs/dbraw/zinc/49/35/09/323493509.db2.gz MEVXOTFPQUNMKR-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000571853327 387186532 /nfs/dbraw/zinc/18/65/32/387186532.db2.gz GAHIQXUHFBZEAW-KBPBESRZSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000571853328 387187081 /nfs/dbraw/zinc/18/70/81/387187081.db2.gz GAHIQXUHFBZEAW-KGLIPLIRSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000571853329 323493702 /nfs/dbraw/zinc/49/37/02/323493702.db2.gz GAHIQXUHFBZEAW-UONOGXRCSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000571853330 323493586 /nfs/dbraw/zinc/49/35/86/323493586.db2.gz GAHIQXUHFBZEAW-ZIAGYGMSSA-N 1 0 246.398 3.528 20 0 BHADRO CC1(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000571856271 387185904 /nfs/dbraw/zinc/18/59/04/387185904.db2.gz WAFZATOEMSSXJV-UHFFFAOYSA-N 1 0 245.341 3.715 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cc(CC)no1 ZINC000571869622 323490737 /nfs/dbraw/zinc/49/07/37/323490737.db2.gz MDQORIBETFIHSL-NEPJUHHUSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cc(CC)no1 ZINC000571869623 387182662 /nfs/dbraw/zinc/18/26/62/387182662.db2.gz MDQORIBETFIHSL-NWDGAFQWSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cc(CC)no1 ZINC000571869624 323490872 /nfs/dbraw/zinc/49/08/72/323490872.db2.gz MDQORIBETFIHSL-RYUDHWBXSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(CC)no1 ZINC000571869625 323490832 /nfs/dbraw/zinc/49/08/32/323490832.db2.gz MDQORIBETFIHSL-VXGBXAGGSA-N 1 0 238.375 3.541 20 0 BHADRO CSc1ccc(C[N@H+]2CC=C(C)CC2)s1 ZINC000571872125 387182437 /nfs/dbraw/zinc/18/24/37/387182437.db2.gz UUZSFPFWSKCXKD-UHFFFAOYSA-N 1 0 239.409 3.622 20 0 BHADRO CC(C)c1cnc(C[NH2+]C2CC(C)(C)C2)s1 ZINC000571896520 387196000 /nfs/dbraw/zinc/19/60/00/387196000.db2.gz DCXDQVCISSPMNM-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1ccncc1CCC[N@@H+](CC(C)C)C(C)C ZINC000571922916 387199836 /nfs/dbraw/zinc/19/98/36/387199836.db2.gz FHLZWSBAWUPQAI-UHFFFAOYSA-N 1 0 248.414 3.689 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000571934712 387201757 /nfs/dbraw/zinc/20/17/57/387201757.db2.gz STEHXZSZGLMIGR-GFCCVEGCSA-N 1 0 245.370 3.573 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000571934715 387200587 /nfs/dbraw/zinc/20/05/87/387200587.db2.gz STEHXZSZGLMIGR-LBPRGKRZSA-N 1 0 245.370 3.573 20 0 BHADRO Cc1ccc(OCCCC[NH2+]CC2(C)CC2)cc1 ZINC000571949126 387209608 /nfs/dbraw/zinc/20/96/08/387209608.db2.gz DZPPRRLODWHFEK-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO COCC(C)(C)CCC[NH2+]Cc1ccc(C)cc1 ZINC000571957997 387208090 /nfs/dbraw/zinc/20/80/90/387208090.db2.gz YIUIJPQAKFHORR-UHFFFAOYSA-N 1 0 249.398 3.537 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000571961372 387208853 /nfs/dbraw/zinc/20/88/53/387208853.db2.gz UQFUGZJBUQOERG-HUBLWGQQSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000571961375 387209185 /nfs/dbraw/zinc/20/91/85/387209185.db2.gz UQFUGZJBUQOERG-SLEUVZQESA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000571961376 323512894 /nfs/dbraw/zinc/51/28/94/323512894.db2.gz UQFUGZJBUQOERG-YWPYICTPSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000571961377 323512429 /nfs/dbraw/zinc/51/24/29/323512429.db2.gz UQFUGZJBUQOERG-ZOWXZIJZSA-N 1 0 245.366 3.677 20 0 BHADRO Cc1cnccc1C[N@@H+](C)C1CCCCCC1 ZINC000571970191 387211491 /nfs/dbraw/zinc/21/14/91/387211491.db2.gz IIAPBIKNQJLNFP-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC1(C[NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000571973368 323514337 /nfs/dbraw/zinc/51/43/37/323514337.db2.gz WNQZDGCOWRPTJR-UHFFFAOYSA-N 1 0 247.407 3.701 20 0 BHADRO COc1cccc2c1CCC[C@@H]2[NH2+]CC=C(C)C ZINC000571981938 323516138 /nfs/dbraw/zinc/51/61/38/323516138.db2.gz SBXIIZGHQWOLQP-HNNXBMFYSA-N 1 0 245.366 3.628 20 0 BHADRO COc1cccc2c1CCC[C@H]2[NH2+]CC=C(C)C ZINC000571981939 387214465 /nfs/dbraw/zinc/21/44/65/387214465.db2.gz SBXIIZGHQWOLQP-OAHLLOKOSA-N 1 0 245.366 3.628 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000572018455 387221261 /nfs/dbraw/zinc/22/12/61/387221261.db2.gz KDGTZKWNGKTSAZ-BMFZPTHFSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000572018456 387220621 /nfs/dbraw/zinc/22/06/21/387220621.db2.gz KDGTZKWNGKTSAZ-FVQBIDKESA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000572018457 387220680 /nfs/dbraw/zinc/22/06/80/387220680.db2.gz KDGTZKWNGKTSAZ-IMJJTQAJSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000572018458 387220079 /nfs/dbraw/zinc/22/00/79/387220079.db2.gz KDGTZKWNGKTSAZ-NUEKZKHPSA-N 1 0 247.382 3.637 20 0 BHADRO CCSCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000572018671 387220696 /nfs/dbraw/zinc/22/06/96/387220696.db2.gz LNTWBCHEYPVKEW-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1(CF)CCC1 ZINC000572038287 387224010 /nfs/dbraw/zinc/22/40/10/387224010.db2.gz VKJDLNFFKOKFQS-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1(CF)CCC1 ZINC000572038288 323528167 /nfs/dbraw/zinc/52/81/67/323528167.db2.gz VKJDLNFFKOKFQS-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1(CF)CCC1 ZINC000572038289 323528438 /nfs/dbraw/zinc/52/84/38/323528438.db2.gz VKJDLNFFKOKFQS-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(CF)CCC1 ZINC000572038290 323528519 /nfs/dbraw/zinc/52/85/19/323528519.db2.gz VKJDLNFFKOKFQS-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CCOC ZINC000572039203 323528396 /nfs/dbraw/zinc/52/83/96/323528396.db2.gz NUSPSRDRTKHBLF-KBPBESRZSA-N 1 0 243.435 3.854 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCOC ZINC000572039209 323528487 /nfs/dbraw/zinc/52/84/87/323528487.db2.gz NUSPSRDRTKHBLF-KGLIPLIRSA-N 1 0 243.435 3.854 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCOC ZINC000572039210 387225486 /nfs/dbraw/zinc/22/54/86/387225486.db2.gz NUSPSRDRTKHBLF-UONOGXRCSA-N 1 0 243.435 3.854 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCOC ZINC000572039211 387225075 /nfs/dbraw/zinc/22/50/75/387225075.db2.gz NUSPSRDRTKHBLF-ZIAGYGMSSA-N 1 0 243.435 3.854 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCO1 ZINC000572047638 387228148 /nfs/dbraw/zinc/22/81/48/387228148.db2.gz QIDVCGNYRGCEOZ-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCO1 ZINC000572047639 323532826 /nfs/dbraw/zinc/53/28/26/323532826.db2.gz QIDVCGNYRGCEOZ-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCO1 ZINC000572047640 387228200 /nfs/dbraw/zinc/22/82/00/387228200.db2.gz QIDVCGNYRGCEOZ-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCO1 ZINC000572047641 387227051 /nfs/dbraw/zinc/22/70/51/387227051.db2.gz QIDVCGNYRGCEOZ-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000572075736 387230031 /nfs/dbraw/zinc/23/00/31/387230031.db2.gz UUFJJDDITZKLMH-AAEUAGOBSA-N 1 0 235.396 3.577 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000572075737 387229749 /nfs/dbraw/zinc/22/97/49/387229749.db2.gz UUFJJDDITZKLMH-DGCLKSJQSA-N 1 0 235.396 3.577 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000572075738 387229613 /nfs/dbraw/zinc/22/96/13/387229613.db2.gz UUFJJDDITZKLMH-WCQYABFASA-N 1 0 235.396 3.577 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000572075739 387230048 /nfs/dbraw/zinc/23/00/48/387230048.db2.gz UUFJJDDITZKLMH-YPMHNXCESA-N 1 0 235.396 3.577 20 0 BHADRO C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H](C)C1CC1 ZINC000572078726 387229884 /nfs/dbraw/zinc/22/98/84/387229884.db2.gz RFGJDBXFRCPQPO-KBPBESRZSA-N 1 0 231.383 3.596 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H](C)C1CC1 ZINC000572078729 387230073 /nfs/dbraw/zinc/23/00/73/387230073.db2.gz RFGJDBXFRCPQPO-KGLIPLIRSA-N 1 0 231.383 3.596 20 0 BHADRO C[C@H](C1CC1)[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000572078730 387230435 /nfs/dbraw/zinc/23/04/35/387230435.db2.gz RFGJDBXFRCPQPO-UONOGXRCSA-N 1 0 231.383 3.596 20 0 BHADRO C[C@H](Cc1ccccc1)C[N@H+](C)[C@H](C)C1CC1 ZINC000572078732 387229121 /nfs/dbraw/zinc/22/91/21/387229121.db2.gz RFGJDBXFRCPQPO-ZIAGYGMSSA-N 1 0 231.383 3.596 20 0 BHADRO Cc1ccncc1CCC[N@@H+](C)C1(C)CCCC1 ZINC000572079750 387229240 /nfs/dbraw/zinc/22/92/40/387229240.db2.gz PGMGFQKWBXQNCK-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@H+](CC1CCC1)C1CC1 ZINC000572086007 387233051 /nfs/dbraw/zinc/23/30/51/387233051.db2.gz HSYPIABEZSRWAN-KRWDZBQOSA-N 1 0 241.378 3.938 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@H+](CC1CCC1)C1CC1 ZINC000572086008 387231670 /nfs/dbraw/zinc/23/16/70/387231670.db2.gz HSYPIABEZSRWAN-QGZVFWFLSA-N 1 0 241.378 3.938 20 0 BHADRO CC[C@H](F)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000572101712 387233032 /nfs/dbraw/zinc/23/30/32/387233032.db2.gz SAEIVALJWNCUKX-AWEZNQCLSA-N 1 0 223.335 3.565 20 0 BHADRO CC[C@@H](F)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000572101715 387231355 /nfs/dbraw/zinc/23/13/55/387231355.db2.gz SAEIVALJWNCUKX-CQSZACIVSA-N 1 0 223.335 3.565 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572106253 323538888 /nfs/dbraw/zinc/53/88/88/323538888.db2.gz PMYAACCIMZMPEF-IGQOVBAYSA-N 1 0 241.419 3.747 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572106263 387237161 /nfs/dbraw/zinc/23/71/61/387237161.db2.gz PMYAACCIMZMPEF-MQYQWHSLSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000572147506 323546764 /nfs/dbraw/zinc/54/67/64/323546764.db2.gz KCJHXGUXHXWCMZ-DZGCQCFKSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000572147507 323546323 /nfs/dbraw/zinc/54/63/23/323546323.db2.gz KCJHXGUXHXWCMZ-HIFRSBDPSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000572147508 323546489 /nfs/dbraw/zinc/54/64/89/323546489.db2.gz KCJHXGUXHXWCMZ-UKRRQHHQSA-N 1 0 229.367 3.844 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000572147509 387244102 /nfs/dbraw/zinc/24/41/02/387244102.db2.gz KCJHXGUXHXWCMZ-ZFWWWQNUSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000572166880 387256020 /nfs/dbraw/zinc/25/60/20/387256020.db2.gz KXVQUOYWXYMGDM-BPLDGKMQSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000572166882 323556313 /nfs/dbraw/zinc/55/63/13/323556313.db2.gz KXVQUOYWXYMGDM-SNPRPXQTSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000572166883 387255762 /nfs/dbraw/zinc/25/57/62/387255762.db2.gz KXVQUOYWXYMGDM-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CC[NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000572166884 323556432 /nfs/dbraw/zinc/55/64/32/323556432.db2.gz KXVQUOYWXYMGDM-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)s1 ZINC000572174272 387258474 /nfs/dbraw/zinc/25/84/74/387258474.db2.gz IFKROYAWRIJNFV-NXEZZACHSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)s1 ZINC000572174273 387257545 /nfs/dbraw/zinc/25/75/45/387257545.db2.gz IFKROYAWRIJNFV-UWVGGRQHSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)s1 ZINC000572174274 387257234 /nfs/dbraw/zinc/25/72/34/387257234.db2.gz IFKROYAWRIJNFV-VHSXEESVSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)s1 ZINC000572174275 387256723 /nfs/dbraw/zinc/25/67/23/387256723.db2.gz IFKROYAWRIJNFV-ZJUUUORDSA-N 1 0 241.425 3.700 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000572189374 387260495 /nfs/dbraw/zinc/26/04/95/387260495.db2.gz PCKBSWBVXPTSON-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000572189375 387260491 /nfs/dbraw/zinc/26/04/91/387260491.db2.gz PCKBSWBVXPTSON-IWCQGFGOSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000572189376 387260583 /nfs/dbraw/zinc/26/05/83/387260583.db2.gz PCKBSWBVXPTSON-LLLHUVSDSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000572189377 387259924 /nfs/dbraw/zinc/25/99/24/387259924.db2.gz PCKBSWBVXPTSON-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000572193869 323562221 /nfs/dbraw/zinc/56/22/21/323562221.db2.gz USHJOMKYPWTKCT-DZGCQCFKSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000572193870 387262296 /nfs/dbraw/zinc/26/22/96/387262296.db2.gz USHJOMKYPWTKCT-HIFRSBDPSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000572193871 323562352 /nfs/dbraw/zinc/56/23/52/323562352.db2.gz USHJOMKYPWTKCT-UKRRQHHQSA-N 1 0 247.382 3.622 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000572193872 387263667 /nfs/dbraw/zinc/26/36/67/387263667.db2.gz USHJOMKYPWTKCT-ZFWWWQNUSA-N 1 0 247.382 3.622 20 0 BHADRO CCCOc1ccc(C[NH2+]CC2(C)CC2)c(C)c1 ZINC000572219488 323567645 /nfs/dbraw/zinc/56/76/45/323567645.db2.gz YPLUHPQZZNGKBL-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO CCCC[N@H+](C[C@H]1CCCO1)C1CCCCC1 ZINC000572260922 387288815 /nfs/dbraw/zinc/28/88/15/387288815.db2.gz PYLFZTRAFPPREB-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(C)cc1C ZINC000572269216 387292419 /nfs/dbraw/zinc/29/24/19/387292419.db2.gz HUPJQGUACKXKIX-UHFFFAOYSA-N 1 0 205.345 3.535 20 0 BHADRO C[N@H+](Cc1ncc(-c2ccccc2)o1)C(C)(C)C ZINC000572281395 359345235 /nfs/dbraw/zinc/34/52/35/359345235.db2.gz GZJOTNZBLZZFCP-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO Fc1cccc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000572287616 323588200 /nfs/dbraw/zinc/58/82/00/323588200.db2.gz ZJVRAYVBJSEXDG-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC1 ZINC000572317688 387324110 /nfs/dbraw/zinc/32/41/10/387324110.db2.gz GRYSBUUOWAXSDR-HNNXBMFYSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC1 ZINC000572317689 387324522 /nfs/dbraw/zinc/32/45/22/387324522.db2.gz GRYSBUUOWAXSDR-OAHLLOKOSA-N 1 0 235.346 3.535 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000572324154 387320469 /nfs/dbraw/zinc/32/04/69/387320469.db2.gz KYMXRGAYGWKGSB-PQEBFOHHSA-N 1 0 243.394 3.883 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000572324155 387321788 /nfs/dbraw/zinc/32/17/88/387321788.db2.gz KYMXRGAYGWKGSB-QMCVQRASSA-N 1 0 243.394 3.883 20 0 BHADRO CC[C@H](C[NH2+]CC1(SC)CC1)c1ccccc1 ZINC000572324406 387320425 /nfs/dbraw/zinc/32/04/25/387320425.db2.gz XIEFVYSVQZPHKD-CYBMUJFWSA-N 1 0 249.423 3.665 20 0 BHADRO CC[C@@H](C[NH2+]CC1(SC)CC1)c1ccccc1 ZINC000572324407 323597310 /nfs/dbraw/zinc/59/73/10/323597310.db2.gz XIEFVYSVQZPHKD-ZDUSSCGKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572335958 387326509 /nfs/dbraw/zinc/32/65/09/387326509.db2.gz FODIUZFIJJDMQM-KBPBESRZSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572335959 387327020 /nfs/dbraw/zinc/32/70/20/387327020.db2.gz FODIUZFIJJDMQM-KGLIPLIRSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000572335960 387327387 /nfs/dbraw/zinc/32/73/87/387327387.db2.gz FODIUZFIJJDMQM-UONOGXRCSA-N 1 0 217.356 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572335961 387327407 /nfs/dbraw/zinc/32/74/07/387327407.db2.gz FODIUZFIJJDMQM-ZIAGYGMSSA-N 1 0 217.356 3.697 20 0 BHADRO CC1(C[N@@H+]2CCCCC[C@H]2c2ccncc2)CC1 ZINC000572339224 387332177 /nfs/dbraw/zinc/33/21/77/387332177.db2.gz CYXMDKHONDTBQR-HNNXBMFYSA-N 1 0 244.382 3.799 20 0 BHADRO CC1(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000572339225 387332882 /nfs/dbraw/zinc/33/28/82/387332882.db2.gz CYXMDKHONDTBQR-OAHLLOKOSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](C[N@H+](C)C(C)(C)C)c1ccc(F)cc1 ZINC000572365281 387347697 /nfs/dbraw/zinc/34/76/97/387347697.db2.gz KIIOPBNBWTXKBB-LLVKDONJSA-N 1 0 223.335 3.660 20 0 BHADRO C[C@@H](C[N@H+](C)C(C)(C)C)c1ccc(F)cc1 ZINC000572365282 387346696 /nfs/dbraw/zinc/34/66/96/387346696.db2.gz KIIOPBNBWTXKBB-NSHDSACASA-N 1 0 223.335 3.660 20 0 BHADRO CCCC[N@H+](Cc1cc(C)c(O)c(C)c1)C1CC1 ZINC000572388811 387377800 /nfs/dbraw/zinc/37/78/00/387377800.db2.gz TUCRMRNQKHYVJN-UHFFFAOYSA-N 1 0 247.382 3.774 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(OC)cc1 ZINC000572440248 398145305 /nfs/dbraw/zinc/14/53/05/398145305.db2.gz XBQIHVXBMYNATP-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CC[N@H+](C/C=C/c1ccc(F)c(F)c1)C(C)C ZINC000572444474 387451928 /nfs/dbraw/zinc/45/19/28/387451928.db2.gz XBGMRELPNLTCNQ-AATRIKPKSA-N 1 0 239.309 3.708 20 0 BHADRO CC[N@H+](C/C=C\c1ccc(F)c(F)c1)C(C)C ZINC000572444480 398146923 /nfs/dbraw/zinc/14/69/23/398146923.db2.gz XBGMRELPNLTCNQ-WAYWQWQTSA-N 1 0 239.309 3.708 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCCC23CCCC3)o1 ZINC000572467839 487510905 /nfs/dbraw/zinc/51/09/05/487510905.db2.gz BVMQKIZBIJRTMD-HNNXBMFYSA-N 1 0 247.382 3.833 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCCC23CCCC3)o1 ZINC000572467840 487510912 /nfs/dbraw/zinc/51/09/12/487510912.db2.gz BVMQKIZBIJRTMD-OAHLLOKOSA-N 1 0 247.382 3.833 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000572468985 387541045 /nfs/dbraw/zinc/54/10/45/387541045.db2.gz BBULRLXPRSOPFY-CYBMUJFWSA-N 1 0 233.355 3.683 20 0 BHADRO CC1(C)CC(C[NH2+][C@H]2CCCc3occc32)C1 ZINC000572468986 387541599 /nfs/dbraw/zinc/54/15/99/387541599.db2.gz BBULRLXPRSOPFY-ZDUSSCGKSA-N 1 0 233.355 3.683 20 0 BHADRO CC(C)OCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000572470383 411231383 /nfs/dbraw/zinc/23/13/83/411231383.db2.gz FYEMVQTYYNHSRO-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)OCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000572470384 411231340 /nfs/dbraw/zinc/23/13/40/411231340.db2.gz FYEMVQTYYNHSRO-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO C(C[NH+]1C2CCC1CC2)SC1CCCCC1 ZINC000572498990 324134802 /nfs/dbraw/zinc/13/48/02/324134802.db2.gz ICYHGOUNMZOBJV-UHFFFAOYSA-N 1 0 239.428 3.679 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000572501675 324135159 /nfs/dbraw/zinc/13/51/59/324135159.db2.gz ZHCYUHBAVZCLPA-CABCVRRESA-N 1 0 235.346 3.619 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC1)c1ccc(F)c(F)c1 ZINC000572513517 324168828 /nfs/dbraw/zinc/16/88/28/324168828.db2.gz RTGDOZJGHJBZMR-AWEZNQCLSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC1)c1ccc(F)c(F)c1 ZINC000572513518 324169134 /nfs/dbraw/zinc/16/91/34/324169134.db2.gz RTGDOZJGHJBZMR-CQSZACIVSA-N 1 0 239.309 3.804 20 0 BHADRO c1ccc(OC2CC2)c(C[NH+]2CCCCCC2)c1 ZINC000572525948 324190042 /nfs/dbraw/zinc/19/00/42/324190042.db2.gz QJCTVOYQTUFQOE-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@H]1CCO[C@@H](CC)C1 ZINC000572536593 388768262 /nfs/dbraw/zinc/76/82/62/388768262.db2.gz QZGMVJRPTCGUQC-KKUMJFAQSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@@H]1CCO[C@H](CC)C1 ZINC000572536594 388767881 /nfs/dbraw/zinc/76/78/81/388767881.db2.gz QZGMVJRPTCGUQC-RRFJBIMHSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@H]1CCO[C@H](CC)C1 ZINC000572536595 388768139 /nfs/dbraw/zinc/76/81/39/388768139.db2.gz QZGMVJRPTCGUQC-SOUVJXGZSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000572536596 388768996 /nfs/dbraw/zinc/76/89/96/388768996.db2.gz QZGMVJRPTCGUQC-ZNMIVQPWSA-N 1 0 241.419 3.702 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000572557676 325784541 /nfs/dbraw/zinc/78/45/41/325784541.db2.gz CRGNOQHCNLLVGB-CABCVRRESA-N 1 0 235.346 3.619 20 0 BHADRO CCCc1cccc(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000572557677 388870622 /nfs/dbraw/zinc/87/06/22/388870622.db2.gz CRGNOQHCNLLVGB-GJZGRUSLSA-N 1 0 235.346 3.619 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000572557678 388870511 /nfs/dbraw/zinc/87/05/11/388870511.db2.gz CRGNOQHCNLLVGB-HUUCEWRRSA-N 1 0 235.346 3.619 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000572557679 325784165 /nfs/dbraw/zinc/78/41/65/325784165.db2.gz CRGNOQHCNLLVGB-LSDHHAIUSA-N 1 0 235.346 3.619 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)CC2(C)CC2)c1 ZINC000572578306 326086402 /nfs/dbraw/zinc/08/64/02/326086402.db2.gz GDGZCNVHTBIRQM-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO Cc1cc(F)ccc1C[N@@H+]1CCCC12CCC2 ZINC000572585882 326236053 /nfs/dbraw/zinc/23/60/53/326236053.db2.gz IZZMHNYTYLXGKV-UHFFFAOYSA-N 1 0 233.330 3.653 20 0 BHADRO CCCC[N@H+](CC)CCO[C@H]1CCCC[C@H]1C ZINC000572609346 323064185 /nfs/dbraw/zinc/06/41/85/323064185.db2.gz MTDSYQHNKGCMIO-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[N@H+](CC)CCO[C@H]1CCCC[C@@H]1C ZINC000572609347 323064173 /nfs/dbraw/zinc/06/41/73/323064173.db2.gz MTDSYQHNKGCMIO-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[N@H+](CC)CCO[C@@H]1CCCC[C@H]1C ZINC000572609348 323064180 /nfs/dbraw/zinc/06/41/80/323064180.db2.gz MTDSYQHNKGCMIO-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000572621338 323033717 /nfs/dbraw/zinc/03/37/17/323033717.db2.gz PXBZOVNKOOVQRW-CVEARBPZSA-N 1 0 243.325 3.820 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000572625398 388362513 /nfs/dbraw/zinc/36/25/13/388362513.db2.gz CRSIDUPIASFUQB-KBPBESRZSA-N 1 0 247.288 3.583 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000572639070 388363071 /nfs/dbraw/zinc/36/30/71/388363071.db2.gz YWFHPXVEODSLSD-GFCCVEGCSA-N 1 0 227.417 3.537 20 0 BHADRO CC[C@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000572639074 388362751 /nfs/dbraw/zinc/36/27/51/388362751.db2.gz YWFHPXVEODSLSD-LBPRGKRZSA-N 1 0 227.417 3.537 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CCCOC1CCCC1 ZINC000572646764 388362738 /nfs/dbraw/zinc/36/27/38/388362738.db2.gz JYSXSBNSVNWYRZ-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CCCOC1CCCC1 ZINC000572646765 388363615 /nfs/dbraw/zinc/36/36/15/388363615.db2.gz JYSXSBNSVNWYRZ-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCC23CC3)o1 ZINC000572663174 388364645 /nfs/dbraw/zinc/36/46/45/388364645.db2.gz HJOBJGAOISHEOQ-KYOSRNDESA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCC23CC3)o1 ZINC000572663175 326403094 /nfs/dbraw/zinc/40/30/94/326403094.db2.gz HJOBJGAOISHEOQ-OSAQELSMSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCCC23CC3)o1 ZINC000572663176 388364064 /nfs/dbraw/zinc/36/40/64/388364064.db2.gz HJOBJGAOISHEOQ-UXIGCNINSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCC23CC3)o1 ZINC000572663177 388364506 /nfs/dbraw/zinc/36/45/06/388364506.db2.gz HJOBJGAOISHEOQ-ZLDLUXBVSA-N 1 0 245.366 3.825 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000572663302 326403046 /nfs/dbraw/zinc/40/30/46/326403046.db2.gz KSVIOFFAYRHJSY-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000572663303 388364521 /nfs/dbraw/zinc/36/45/21/388364521.db2.gz KSVIOFFAYRHJSY-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000572663304 388363796 /nfs/dbraw/zinc/36/37/96/388363796.db2.gz KSVIOFFAYRHJSY-XQQFMLRXSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000572663305 388364672 /nfs/dbraw/zinc/36/46/72/388364672.db2.gz KSVIOFFAYRHJSY-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000572683244 326404137 /nfs/dbraw/zinc/40/41/37/326404137.db2.gz MWCLDUGEMWVFNM-DVZHBHJUSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1Oc2ccccc2[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000572683245 388365469 /nfs/dbraw/zinc/36/54/69/388365469.db2.gz MWCLDUGEMWVFNM-FOCJUVANSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000572683246 323137802 /nfs/dbraw/zinc/13/78/02/323137802.db2.gz MWCLDUGEMWVFNM-LMOYCYGVSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000572683247 323137792 /nfs/dbraw/zinc/13/77/92/323137792.db2.gz MWCLDUGEMWVFNM-NFFDBFGFSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](C[NH2+]CCC1(F)CCC1)Cc1ccccc1 ZINC000572683412 388365609 /nfs/dbraw/zinc/36/56/09/388365609.db2.gz VBRGOYLOWAZHPW-AWEZNQCLSA-N 1 0 249.373 3.737 20 0 BHADRO C[C@@H](C[NH2+]CCC1(F)CCC1)Cc1ccccc1 ZINC000572683413 326404244 /nfs/dbraw/zinc/40/42/44/326404244.db2.gz VBRGOYLOWAZHPW-CQSZACIVSA-N 1 0 249.373 3.737 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc(C)c1O ZINC000572709853 388368979 /nfs/dbraw/zinc/36/89/79/388368979.db2.gz VKLJMDMOTRUJME-ABAIWWIYSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc(C)c1O ZINC000572709854 388369148 /nfs/dbraw/zinc/36/91/48/388369148.db2.gz VKLJMDMOTRUJME-IAQYHMDHSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc(C)c1O ZINC000572709855 388368559 /nfs/dbraw/zinc/36/85/59/388368559.db2.gz VKLJMDMOTRUJME-NHYWBVRUSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc(C)c1O ZINC000572709856 323005833 /nfs/dbraw/zinc/00/58/33/323005833.db2.gz VKLJMDMOTRUJME-XHDPSFHLSA-N 1 0 247.382 3.629 20 0 BHADRO Cc1cnccc1CC[NH+](CC(C)C)CC(C)C ZINC000572718006 388369581 /nfs/dbraw/zinc/36/95/81/388369581.db2.gz QEFIYSFMECNEOQ-UHFFFAOYSA-N 1 0 248.414 3.547 20 0 BHADRO C[N@H+](Cc1sccc1Cl)CC(C)(C)C ZINC000572733206 388372431 /nfs/dbraw/zinc/37/24/31/388372431.db2.gz HMAVDNINRNNGPA-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000572737940 388372387 /nfs/dbraw/zinc/37/23/87/388372387.db2.gz WBHIIXMRPBGOHP-HZMBPMFUSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000572737941 326407972 /nfs/dbraw/zinc/40/79/72/326407972.db2.gz WBHIIXMRPBGOHP-IINYFYTJSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000572737942 326407968 /nfs/dbraw/zinc/40/79/68/326407968.db2.gz WBHIIXMRPBGOHP-QMTHXVAHSA-N 1 0 247.769 3.717 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000572737943 326407924 /nfs/dbraw/zinc/40/79/24/326407924.db2.gz WBHIIXMRPBGOHP-YGRLFVJLSA-N 1 0 247.769 3.717 20 0 BHADRO C1=C[C@H]([NH+]2C[C@H]3CCC[C@@H]3C2)CCCCC1 ZINC000572741146 326408274 /nfs/dbraw/zinc/40/82/74/326408274.db2.gz NKGNETXMZWHJFZ-KFWWJZLASA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@H]([NH+]2C[C@@H]3CCC[C@H]3C2)CCCCC1 ZINC000572741147 388372347 /nfs/dbraw/zinc/37/23/47/388372347.db2.gz NKGNETXMZWHJFZ-KKUMJFAQSA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCCC1 ZINC000572741148 388371527 /nfs/dbraw/zinc/37/15/27/388371527.db2.gz NKGNETXMZWHJFZ-QLFBSQMISA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCCC1 ZINC000572741149 388372038 /nfs/dbraw/zinc/37/20/38/388372038.db2.gz NKGNETXMZWHJFZ-ZNMIVQPWSA-N 1 0 219.372 3.607 20 0 BHADRO CC(C)C(C[NH2+]CCCc1ccccn1)C(C)C ZINC000572742000 323045698 /nfs/dbraw/zinc/04/56/98/323045698.db2.gz NWEBRHYTXCXMSU-UHFFFAOYSA-N 1 0 248.414 3.532 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCc1cc2ccccc2s1 ZINC000572743012 326408166 /nfs/dbraw/zinc/40/81/66/326408166.db2.gz COXXPJIQJGESTH-AAEUAGOBSA-N 1 0 245.391 3.689 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCc1cc2ccccc2s1 ZINC000572743013 326408320 /nfs/dbraw/zinc/40/83/20/326408320.db2.gz COXXPJIQJGESTH-DGCLKSJQSA-N 1 0 245.391 3.689 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCc1cc2ccccc2s1 ZINC000572743014 326408201 /nfs/dbraw/zinc/40/82/01/326408201.db2.gz COXXPJIQJGESTH-WCQYABFASA-N 1 0 245.391 3.689 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCc1cc2ccccc2s1 ZINC000572743015 326408126 /nfs/dbraw/zinc/40/81/26/326408126.db2.gz COXXPJIQJGESTH-YPMHNXCESA-N 1 0 245.391 3.689 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000572743079 388372054 /nfs/dbraw/zinc/37/20/54/388372054.db2.gz GWAFDGDAPJTLHO-CHWSQXEVSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000572743080 326408318 /nfs/dbraw/zinc/40/83/18/326408318.db2.gz GWAFDGDAPJTLHO-OLZOCXBDSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000572743081 326408256 /nfs/dbraw/zinc/40/82/56/326408256.db2.gz GWAFDGDAPJTLHO-QWHCGFSZSA-N 1 0 243.350 3.870 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000572743082 388371737 /nfs/dbraw/zinc/37/17/37/388371737.db2.gz GWAFDGDAPJTLHO-STQMWFEESA-N 1 0 243.350 3.870 20 0 BHADRO C[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000572745440 388372515 /nfs/dbraw/zinc/37/25/15/388372515.db2.gz SOZOJRIOEAXUHA-DZGCQCFKSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000572745441 388372012 /nfs/dbraw/zinc/37/20/12/388372012.db2.gz SOZOJRIOEAXUHA-HIFRSBDPSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000572745442 388372541 /nfs/dbraw/zinc/37/25/41/388372541.db2.gz SOZOJRIOEAXUHA-UKRRQHHQSA-N 1 0 247.382 3.650 20 0 BHADRO C[C@H]1CCC[C@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000572745443 388372155 /nfs/dbraw/zinc/37/21/55/388372155.db2.gz SOZOJRIOEAXUHA-ZFWWWQNUSA-N 1 0 247.382 3.650 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000572747925 388372094 /nfs/dbraw/zinc/37/20/94/388372094.db2.gz MLQKSQRHEIVGHS-KBPBESRZSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000572747926 388372129 /nfs/dbraw/zinc/37/21/29/388372129.db2.gz MLQKSQRHEIVGHS-KGLIPLIRSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000572747927 388371917 /nfs/dbraw/zinc/37/19/17/388371917.db2.gz MLQKSQRHEIVGHS-UONOGXRCSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000572747928 326408389 /nfs/dbraw/zinc/40/83/89/326408389.db2.gz MLQKSQRHEIVGHS-ZIAGYGMSSA-N 1 0 239.378 3.827 20 0 BHADRO c1ccc2c(c1)CCCCN2C[C@H]1CCSC1 ZINC000572764326 388374824 /nfs/dbraw/zinc/37/48/24/388374824.db2.gz RBISYHKCRQQMTC-CYBMUJFWSA-N 1 0 247.407 3.582 20 0 BHADRO c1ccc2c(c1)CCCCN2C[C@@H]1CCSC1 ZINC000572764327 388374565 /nfs/dbraw/zinc/37/45/65/388374565.db2.gz RBISYHKCRQQMTC-ZDUSSCGKSA-N 1 0 247.407 3.582 20 0 BHADRO FC1(F)CCC(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000572782170 326410926 /nfs/dbraw/zinc/41/09/26/326410926.db2.gz MYMUVMPSNITRAZ-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000572782171 388375874 /nfs/dbraw/zinc/37/58/74/388375874.db2.gz MYMUVMPSNITRAZ-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CCc1ccc(C[NH+]2CC(C3CCC3)C2)s1 ZINC000572802076 388377887 /nfs/dbraw/zinc/37/78/87/388377887.db2.gz NGPZKHPEYCKGOB-UHFFFAOYSA-N 1 0 235.396 3.542 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000572804180 323102401 /nfs/dbraw/zinc/10/24/01/323102401.db2.gz ULEBZJSSGVHVOM-GFCCVEGCSA-N 1 0 246.354 3.838 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000572804181 323102320 /nfs/dbraw/zinc/10/23/20/323102320.db2.gz ULEBZJSSGVHVOM-LBPRGKRZSA-N 1 0 246.354 3.838 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000572805286 326411942 /nfs/dbraw/zinc/41/19/42/326411942.db2.gz KMPCVFIIQIMAEB-IWMBGFJWSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000572805287 326411907 /nfs/dbraw/zinc/41/19/07/326411907.db2.gz KMPCVFIIQIMAEB-KBHBFKLGSA-N 1 0 241.419 3.604 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000572842373 326414254 /nfs/dbraw/zinc/41/42/54/326414254.db2.gz QUBQJCJESXQSPD-UHFFFAOYSA-N 1 0 227.351 3.596 20 0 BHADRO CCc1cccc(C[NH2+]CCCC(C)(F)F)c1 ZINC000572847099 388380216 /nfs/dbraw/zinc/38/02/16/388380216.db2.gz SLDKQURQLQRRDN-UHFFFAOYSA-N 1 0 241.325 3.774 20 0 BHADRO CC1C[NH+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000572848597 388380138 /nfs/dbraw/zinc/38/01/38/388380138.db2.gz RFFKMGQRFHJNAA-UHFFFAOYSA-N 1 0 245.297 3.537 20 0 BHADRO CC(C)CSCCC[NH2+][C@@H]1CCCC12CC2 ZINC000572856661 566465482 /nfs/dbraw/zinc/46/54/82/566465482.db2.gz DMNLSDGXTKLGOF-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CSCCC[NH2+][C@H]1CCCC12CC2 ZINC000572856662 326415572 /nfs/dbraw/zinc/41/55/72/326415572.db2.gz DMNLSDGXTKLGOF-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(CF)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000572860319 364772572 /nfs/dbraw/zinc/77/25/72/364772572.db2.gz BPVNMMFEKUMXCH-UHFFFAOYSA-N 1 0 235.346 3.792 20 0 BHADRO CC(C)C[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000572886605 388384412 /nfs/dbraw/zinc/38/44/12/388384412.db2.gz WGTKJRXBOVCCGH-PLNGDYQASA-N 1 0 239.309 3.566 20 0 BHADRO CC(C)C[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000572886606 388384567 /nfs/dbraw/zinc/38/45/67/388384567.db2.gz WGTKJRXBOVCCGH-SNAWJCMRSA-N 1 0 239.309 3.566 20 0 BHADRO CSC1(C[N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC000572886719 388384861 /nfs/dbraw/zinc/38/48/61/388384861.db2.gz BADKGBZDZDHOGF-UHFFFAOYSA-N 1 0 249.423 3.631 20 0 BHADRO CCO[C@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000572894090 326417446 /nfs/dbraw/zinc/41/74/46/326417446.db2.gz REURNFXBIURTRV-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000572894091 388385590 /nfs/dbraw/zinc/38/55/90/388385590.db2.gz REURNFXBIURTRV-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000572894092 388385622 /nfs/dbraw/zinc/38/56/22/388385622.db2.gz REURNFXBIURTRV-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000572894093 326417539 /nfs/dbraw/zinc/41/75/39/326417539.db2.gz REURNFXBIURTRV-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[N@H+](Cc1ccc2ccccc2n1)C(C)C ZINC000572897785 388385923 /nfs/dbraw/zinc/38/59/23/388385923.db2.gz WWZKVTHHHHGCDI-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[N@H+](CC1=Cc2ccccc2OC1)C(C)C ZINC000572899611 388385952 /nfs/dbraw/zinc/38/59/52/388385952.db2.gz FNKMNGNQZLPHCC-UHFFFAOYSA-N 1 0 245.366 3.583 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1noc2ccccc12 ZINC000572899925 326418006 /nfs/dbraw/zinc/41/80/06/326418006.db2.gz PKIAJBNWSUMTCR-GFCCVEGCSA-N 1 0 246.354 3.600 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1noc2ccccc12 ZINC000572899926 388386680 /nfs/dbraw/zinc/38/66/80/388386680.db2.gz PKIAJBNWSUMTCR-LBPRGKRZSA-N 1 0 246.354 3.600 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCOC2(C)C)CCCCC1 ZINC000572904983 388387059 /nfs/dbraw/zinc/38/70/59/388387059.db2.gz XRCSSVYPPQUCDS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H]2CCOC2(C)C)CCCCC1 ZINC000572904984 388386662 /nfs/dbraw/zinc/38/66/62/388386662.db2.gz XRCSSVYPPQUCDS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000572916620 388387489 /nfs/dbraw/zinc/38/74/89/388387489.db2.gz KKZUTJLLVZJIEN-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000572916621 326418846 /nfs/dbraw/zinc/41/88/46/326418846.db2.gz KKZUTJLLVZJIEN-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000572916622 388387881 /nfs/dbraw/zinc/38/78/81/388387881.db2.gz KKZUTJLLVZJIEN-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000572916623 326418890 /nfs/dbraw/zinc/41/88/90/326418890.db2.gz KKZUTJLLVZJIEN-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@H](CSCC1CC[NH2+]CC1)c1ccccc1 ZINC000572998485 323047718 /nfs/dbraw/zinc/04/77/18/323047718.db2.gz ARQTUKCUALKGAK-CYBMUJFWSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H](CSCC1CC[NH2+]CC1)c1ccccc1 ZINC000572998486 323047739 /nfs/dbraw/zinc/04/77/39/323047739.db2.gz ARQTUKCUALKGAK-ZDUSSCGKSA-N 1 0 249.423 3.523 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC(O)(CC)CC ZINC000573041416 388411444 /nfs/dbraw/zinc/41/14/44/388411444.db2.gz MLHJIQCMCAQELA-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC(O)(CC)CC ZINC000573041417 326426296 /nfs/dbraw/zinc/42/62/96/326426296.db2.gz MLHJIQCMCAQELA-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC(O)(CC)CC ZINC000573041418 388410832 /nfs/dbraw/zinc/41/08/32/388410832.db2.gz MLHJIQCMCAQELA-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC(O)(CC)CC ZINC000573041419 388411571 /nfs/dbraw/zinc/41/15/71/388411571.db2.gz MLHJIQCMCAQELA-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CN(Cc1c(F)cccc1Cl)CC1(C)CC1 ZINC000573044439 388410977 /nfs/dbraw/zinc/41/09/77/388410977.db2.gz NLICQXOPKCKGHU-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000573058722 388414980 /nfs/dbraw/zinc/41/49/80/388414980.db2.gz YUJVGZKRVORPIL-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000573058723 388414137 /nfs/dbraw/zinc/41/41/37/388414137.db2.gz YUJVGZKRVORPIL-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)CC2 ZINC000573089990 326428957 /nfs/dbraw/zinc/42/89/57/326428957.db2.gz MWYAXPIPUANTNJ-IIAWOOMASA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)CC2 ZINC000573089994 398209368 /nfs/dbraw/zinc/20/93/68/398209368.db2.gz MWYAXPIPUANTNJ-IJEWVQPXSA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](F)C1)CC2 ZINC000573089996 326428906 /nfs/dbraw/zinc/42/89/06/326428906.db2.gz MWYAXPIPUANTNJ-OFQRWUPVSA-N 1 0 247.357 3.853 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)CC2 ZINC000573089998 326428892 /nfs/dbraw/zinc/42/88/92/326428892.db2.gz MWYAXPIPUANTNJ-SQWLQELKSA-N 1 0 247.357 3.853 20 0 BHADRO F[C@@]1(c2ccccc2)CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000573109722 388421122 /nfs/dbraw/zinc/42/11/22/388421122.db2.gz ZXBDIPQYWUFQCM-CVEARBPZSA-N 1 0 245.341 3.666 20 0 BHADRO F[C@@]1(c2ccccc2)CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000573109724 388420801 /nfs/dbraw/zinc/42/08/01/388420801.db2.gz ZXBDIPQYWUFQCM-HOTGVXAUSA-N 1 0 245.341 3.666 20 0 BHADRO F[C@]1(c2ccccc2)CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000573109726 388420873 /nfs/dbraw/zinc/42/08/73/388420873.db2.gz ZXBDIPQYWUFQCM-HZPDHXFCSA-N 1 0 245.341 3.666 20 0 BHADRO F[C@]1(c2ccccc2)CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000573109728 388420651 /nfs/dbraw/zinc/42/06/51/388420651.db2.gz ZXBDIPQYWUFQCM-JKSUJKDBSA-N 1 0 245.341 3.666 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1Cl)C1CCC1 ZINC000573109758 388420930 /nfs/dbraw/zinc/42/09/30/388420930.db2.gz LLLDTAYTCXSSCU-UHFFFAOYSA-N 1 0 241.737 3.854 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000573129541 326431276 /nfs/dbraw/zinc/43/12/76/326431276.db2.gz QRNHHOYAZDMLHA-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000573129542 326431263 /nfs/dbraw/zinc/43/12/63/326431263.db2.gz QRNHHOYAZDMLHA-DLKVLKDVSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000573129543 388422952 /nfs/dbraw/zinc/42/29/52/388422952.db2.gz QRNHHOYAZDMLHA-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000573129544 326431404 /nfs/dbraw/zinc/43/14/04/326431404.db2.gz QRNHHOYAZDMLHA-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1F ZINC000573151849 326432477 /nfs/dbraw/zinc/43/24/77/326432477.db2.gz XVEWPDYOYFHDLU-OAGGEKHMSA-N 1 0 249.373 3.878 20 0 BHADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1F ZINC000573151850 326432443 /nfs/dbraw/zinc/43/24/43/326432443.db2.gz XVEWPDYOYFHDLU-XHSDSOJGSA-N 1 0 249.373 3.878 20 0 BHADRO CC(C)([NH2+]Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000573153195 364787310 /nfs/dbraw/zinc/78/73/10/364787310.db2.gz GKCOFIZUOXUHEW-UHFFFAOYSA-N 1 0 246.329 3.585 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1C ZINC000573155798 326432507 /nfs/dbraw/zinc/43/25/07/326432507.db2.gz AOSYCMKOWSOJAH-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1C ZINC000573155799 388426679 /nfs/dbraw/zinc/42/66/79/388426679.db2.gz AOSYCMKOWSOJAH-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1C ZINC000573155800 388426769 /nfs/dbraw/zinc/42/67/69/388426769.db2.gz AOSYCMKOWSOJAH-NWANDNLSSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1C ZINC000573155801 326432584 /nfs/dbraw/zinc/43/25/84/326432584.db2.gz AOSYCMKOWSOJAH-QEJZJMRPSA-N 1 0 235.346 3.845 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000573162458 326432954 /nfs/dbraw/zinc/43/29/54/326432954.db2.gz FBCHMLSOONVUPG-KBPBESRZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000573162459 388426441 /nfs/dbraw/zinc/42/64/41/388426441.db2.gz FBCHMLSOONVUPG-KGLIPLIRSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000573162460 388426747 /nfs/dbraw/zinc/42/67/47/388426747.db2.gz FBCHMLSOONVUPG-UONOGXRCSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000573162461 388426323 /nfs/dbraw/zinc/42/63/23/388426323.db2.gz FBCHMLSOONVUPG-ZIAGYGMSSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H]1COc2ccccc21 ZINC000573162893 326432984 /nfs/dbraw/zinc/43/29/84/326432984.db2.gz WDUXYPYCJYOPCH-KBPBESRZSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H]1COc2ccccc21 ZINC000573162894 388426757 /nfs/dbraw/zinc/42/67/57/388426757.db2.gz WDUXYPYCJYOPCH-KGLIPLIRSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H]1COc2ccccc21 ZINC000573162895 326432836 /nfs/dbraw/zinc/43/28/36/326432836.db2.gz WDUXYPYCJYOPCH-UONOGXRCSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H]1COc2ccccc21 ZINC000573162896 388427003 /nfs/dbraw/zinc/42/70/03/388427003.db2.gz WDUXYPYCJYOPCH-ZIAGYGMSSA-N 1 0 247.382 3.721 20 0 BHADRO C(C[NH+]1CCCCCC1)OC1CCCCCC1 ZINC000573165028 326432996 /nfs/dbraw/zinc/43/29/96/326432996.db2.gz NSSDTNWLFWGGHH-UHFFFAOYSA-N 1 0 239.403 3.602 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000573174812 388427153 /nfs/dbraw/zinc/42/71/53/388427153.db2.gz KSFPTZLBGSHBPC-RTXFEEFZSA-N 1 0 249.785 3.989 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000573174813 388428058 /nfs/dbraw/zinc/42/80/58/388428058.db2.gz KSFPTZLBGSHBPC-WCFLWFBJSA-N 1 0 249.785 3.989 20 0 BHADRO C[N@H+](Cc1ccc2ccccc2c1)CC1(F)CC1 ZINC000573177937 388428368 /nfs/dbraw/zinc/42/83/68/388428368.db2.gz BCGQHPHLMXIPOJ-UHFFFAOYSA-N 1 0 243.325 3.774 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000573203081 388431576 /nfs/dbraw/zinc/43/15/76/388431576.db2.gz WHMZGXZFYSWZMZ-CVEARBPZSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000573203082 344012172 /nfs/dbraw/zinc/01/21/72/344012172.db2.gz WHMZGXZFYSWZMZ-HZPDHXFCSA-N 1 0 247.382 3.637 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000573205987 388431862 /nfs/dbraw/zinc/43/18/62/388431862.db2.gz MIUKSUNGPILSGJ-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO COCC1(CC[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000573205988 398212654 /nfs/dbraw/zinc/21/26/54/398212654.db2.gz MIUKSUNGPILSGJ-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)C1CCC1 ZINC000573224288 388434225 /nfs/dbraw/zinc/43/42/25/388434225.db2.gz ZAFJGGMAXSRGOE-CBCUQQMYSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C1CCC1 ZINC000573224289 326436857 /nfs/dbraw/zinc/43/68/57/326436857.db2.gz ZAFJGGMAXSRGOE-TUBUQKNSSA-N 1 0 243.394 3.958 20 0 BHADRO COCCC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000573228891 326436909 /nfs/dbraw/zinc/43/69/09/326436909.db2.gz FOBOAEVLCOFMSF-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO COCCC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000573228896 326436798 /nfs/dbraw/zinc/43/67/98/326436798.db2.gz FOBOAEVLCOFMSF-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000573240158 388434890 /nfs/dbraw/zinc/43/48/90/388434890.db2.gz KMTKTIAZQBWJJI-KBPBESRZSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000573240159 388435000 /nfs/dbraw/zinc/43/50/00/388435000.db2.gz KMTKTIAZQBWJJI-KGLIPLIRSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000573240160 388435052 /nfs/dbraw/zinc/43/50/52/388435052.db2.gz KMTKTIAZQBWJJI-UONOGXRCSA-N 1 0 249.423 3.899 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000573240161 388434404 /nfs/dbraw/zinc/43/44/04/388434404.db2.gz KMTKTIAZQBWJJI-ZIAGYGMSSA-N 1 0 249.423 3.899 20 0 BHADRO CCC(CC)[N@H+](CC)CCc1ncc(C)cc1C ZINC000573241953 388434978 /nfs/dbraw/zinc/43/49/78/388434978.db2.gz VQDRODGQHLZDGU-UHFFFAOYSA-N 1 0 248.414 3.751 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000573282831 388439194 /nfs/dbraw/zinc/43/91/94/388439194.db2.gz PDJJOVKVQFOXON-BPLDGKMQSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000573282832 388439158 /nfs/dbraw/zinc/43/91/58/388439158.db2.gz PDJJOVKVQFOXON-SNPRPXQTSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000573282833 326439574 /nfs/dbraw/zinc/43/95/74/326439574.db2.gz PDJJOVKVQFOXON-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000573282834 388439831 /nfs/dbraw/zinc/43/98/31/388439831.db2.gz PDJJOVKVQFOXON-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO CSC1(C[N@H+](C)C2CCCCCC2)CC1 ZINC000573287453 388439622 /nfs/dbraw/zinc/43/96/22/388439622.db2.gz MUEBPWFFJYUWLL-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000573288235 388439825 /nfs/dbraw/zinc/43/98/25/388439825.db2.gz RPFLRWHWLAOQEE-GFCCVEGCSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000573288236 388439357 /nfs/dbraw/zinc/43/93/57/388439357.db2.gz RPFLRWHWLAOQEE-LBPRGKRZSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)[N@H+](CC1CC1)CC1Cc2ccccc2C1 ZINC000573294463 388439632 /nfs/dbraw/zinc/43/96/32/388439632.db2.gz AROALWHATBTHTI-UHFFFAOYSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000573316127 364794966 /nfs/dbraw/zinc/79/49/66/364794966.db2.gz NNWLRHGBKVFRFM-IMRBUKKESA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C)(C)C)c2ccccc2n1 ZINC000573321449 364797928 /nfs/dbraw/zinc/79/79/28/364797928.db2.gz LFQKTFFORBKIJK-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000573345518 364805788 /nfs/dbraw/zinc/80/57/88/364805788.db2.gz FZFMRITWMOXUDC-BMQDGWLCSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CC[C@H](C)F)C2CC2)c1 ZINC000573347568 344106253 /nfs/dbraw/zinc/10/62/53/344106253.db2.gz AJKFVOJOTZWWDV-BBRMVZONSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CC[C@@H](C)F)C2CC2)c1 ZINC000573347569 344106519 /nfs/dbraw/zinc/10/65/19/344106519.db2.gz AJKFVOJOTZWWDV-CJNGLKHVSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CC[C@@H](C)F)C2CC2)c1 ZINC000573347570 344106516 /nfs/dbraw/zinc/10/65/16/344106516.db2.gz AJKFVOJOTZWWDV-CZUORRHYSA-N 1 0 249.373 3.654 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CC[C@H](C)F)C2CC2)c1 ZINC000573347571 344106506 /nfs/dbraw/zinc/10/65/06/344106506.db2.gz AJKFVOJOTZWWDV-XJKSGUPXSA-N 1 0 249.373 3.654 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000573354790 364809256 /nfs/dbraw/zinc/80/92/56/364809256.db2.gz VQYUTHZRZLIZML-CABCVRRESA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000573354791 364808939 /nfs/dbraw/zinc/80/89/39/364808939.db2.gz VQYUTHZRZLIZML-GJZGRUSLSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ncccc1C ZINC000573354792 364809278 /nfs/dbraw/zinc/80/92/78/364809278.db2.gz VQYUTHZRZLIZML-HUUCEWRRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ncccc1C ZINC000573354793 364809144 /nfs/dbraw/zinc/80/91/44/364809144.db2.gz VQYUTHZRZLIZML-LSDHHAIUSA-N 1 0 246.398 3.839 20 0 BHADRO CC1(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000573391650 364823571 /nfs/dbraw/zinc/82/35/71/364823571.db2.gz INXGTWYBKLWYPI-UHFFFAOYSA-N 1 0 249.785 3.761 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@@H](C)C(F)(F)F ZINC000573402662 364824168 /nfs/dbraw/zinc/82/41/68/364824168.db2.gz JPAQIKOESXVZEB-SECBINFHSA-N 1 0 225.298 3.695 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@H](C)C(F)(F)F ZINC000573402663 364824991 /nfs/dbraw/zinc/82/49/91/364824991.db2.gz JPAQIKOESXVZEB-VIFPVBQESA-N 1 0 225.298 3.695 20 0 BHADRO Cc1ccc(C[NH+]2CC(C3CCC3)C2)cc1C ZINC000573407196 364825161 /nfs/dbraw/zinc/82/51/61/364825161.db2.gz IBUFFPKELQUKAI-UHFFFAOYSA-N 1 0 229.367 3.535 20 0 BHADRO Clc1ccccc1C[NH+]1CC(C2CCC2)C1 ZINC000573407707 364825208 /nfs/dbraw/zinc/82/52/08/364825208.db2.gz WWPXVXISFXALPV-UHFFFAOYSA-N 1 0 235.758 3.572 20 0 BHADRO Cc1cc(OCc2ccccc2F)c(C)c(C)[nH+]1 ZINC000573412260 364824670 /nfs/dbraw/zinc/82/46/70/364824670.db2.gz GLVODJPHORBWLZ-UHFFFAOYSA-N 1 0 245.297 3.725 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000573434932 364830690 /nfs/dbraw/zinc/83/06/90/364830690.db2.gz RNBGZKNRCJQXRM-BARDWOONSA-N 1 0 241.419 3.891 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000573434933 364830832 /nfs/dbraw/zinc/83/08/32/364830832.db2.gz RNBGZKNRCJQXRM-LJISPDSOSA-N 1 0 241.419 3.891 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C2CC2)cc1 ZINC000573453703 364838309 /nfs/dbraw/zinc/83/83/09/364838309.db2.gz GRCQYIDQFBJLKZ-ARFHVFGLSA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2F)C2CC2)cc1 ZINC000573453704 364838370 /nfs/dbraw/zinc/83/83/70/364838370.db2.gz GRCQYIDQFBJLKZ-XHSDSOJGSA-N 1 0 247.357 3.926 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000573459541 364840735 /nfs/dbraw/zinc/84/07/35/364840735.db2.gz IRIQMBTVHRMZMS-CFVMTHIKSA-N 1 0 245.341 3.604 20 0 BHADRO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000573459542 364840370 /nfs/dbraw/zinc/84/03/70/364840370.db2.gz IRIQMBTVHRMZMS-NWANDNLSSA-N 1 0 245.341 3.604 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CC2)Cc1cccs1 ZINC000573459568 344273229 /nfs/dbraw/zinc/27/32/29/344273229.db2.gz JFVIXGHODVDQAU-GXTWGEPZSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CC2)Cc1cccs1 ZINC000573459569 344273217 /nfs/dbraw/zinc/27/32/17/344273217.db2.gz JFVIXGHODVDQAU-JSGCOSHPSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CC2)Cc1cccs1 ZINC000573459570 344273553 /nfs/dbraw/zinc/27/35/53/344273553.db2.gz JFVIXGHODVDQAU-OCCSQVGLSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)Cc1cccs1 ZINC000573459571 344273512 /nfs/dbraw/zinc/27/35/12/344273512.db2.gz JFVIXGHODVDQAU-TZMCWYRMSA-N 1 0 249.423 3.849 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000573469195 364841731 /nfs/dbraw/zinc/84/17/31/364841731.db2.gz FSPYKVLMEHBPSB-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO COC(C)(C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000573469205 364841924 /nfs/dbraw/zinc/84/19/24/364841924.db2.gz FSPYKVLMEHBPSB-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(CCOC)CC1 ZINC000573478720 364843277 /nfs/dbraw/zinc/84/32/77/364843277.db2.gz QACAZDGWOQGRNN-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(CCOC)CC1 ZINC000573478729 364842965 /nfs/dbraw/zinc/84/29/65/364842965.db2.gz QACAZDGWOQGRNN-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(CCOC)CC1 ZINC000573478731 364843084 /nfs/dbraw/zinc/84/30/84/364843084.db2.gz QACAZDGWOQGRNN-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(CCOC)CC1 ZINC000573478732 364842592 /nfs/dbraw/zinc/84/25/92/364842592.db2.gz QACAZDGWOQGRNN-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000573483897 364844592 /nfs/dbraw/zinc/84/45/92/364844592.db2.gz ATSAENMULRSPIW-TUAOUCFPSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000573483903 364844530 /nfs/dbraw/zinc/84/45/30/364844530.db2.gz ATSAENMULRSPIW-UTUOFQBUSA-N 1 0 247.304 3.806 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000573500078 364847793 /nfs/dbraw/zinc/84/77/93/364847793.db2.gz ZKHIKUBFFNYBRC-GFCCVEGCSA-N 1 0 243.272 3.558 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000573500087 364848454 /nfs/dbraw/zinc/84/84/54/364848454.db2.gz ZKHIKUBFFNYBRC-LBPRGKRZSA-N 1 0 243.272 3.558 20 0 BHADRO CC(C)SCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000573509503 364853075 /nfs/dbraw/zinc/85/30/75/364853075.db2.gz NZPWXNGOAMKTQX-CHWSQXEVSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000573509506 364852465 /nfs/dbraw/zinc/85/24/65/364852465.db2.gz NZPWXNGOAMKTQX-OLZOCXBDSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000573509508 364852348 /nfs/dbraw/zinc/85/23/48/364852348.db2.gz NZPWXNGOAMKTQX-QWHCGFSZSA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)SCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000573509510 364852320 /nfs/dbraw/zinc/85/23/20/364852320.db2.gz NZPWXNGOAMKTQX-STQMWFEESA-N 1 0 241.444 3.639 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000573526523 364853720 /nfs/dbraw/zinc/85/37/20/364853720.db2.gz JCZKRNVVJZEZMN-HNNXBMFYSA-N 1 0 247.407 3.573 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000573526525 364853859 /nfs/dbraw/zinc/85/38/59/364853859.db2.gz JCZKRNVVJZEZMN-OAHLLOKOSA-N 1 0 247.407 3.573 20 0 BHADRO FC(F)C1(C[NH2+]CCCC2CCCCC2)CC1 ZINC000573526690 364853757 /nfs/dbraw/zinc/85/37/57/364853757.db2.gz MEKQBHCMCHPVLJ-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccoc1 ZINC000573545050 364856667 /nfs/dbraw/zinc/85/66/67/364856667.db2.gz OGRJAZNTOHQNTA-RIEGTJTDSA-N 1 0 245.297 3.625 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccoc1 ZINC000573545051 344305184 /nfs/dbraw/zinc/30/51/84/344305184.db2.gz OGRJAZNTOHQNTA-VZJVUDMVSA-N 1 0 245.297 3.625 20 0 BHADRO CCC1CC([NH2+]CCCSc2ccccc2)C1 ZINC000573571675 364864380 /nfs/dbraw/zinc/86/43/80/364864380.db2.gz NUVKKKGPHVNCHB-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000573609343 364871316 /nfs/dbraw/zinc/87/13/16/364871316.db2.gz CNDJUJHKJVUIKP-ILXRZTDVSA-N 1 0 242.451 3.520 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000573609349 364871380 /nfs/dbraw/zinc/87/13/80/364871380.db2.gz CNDJUJHKJVUIKP-QLFBSQMISA-N 1 0 242.451 3.520 20 0 BHADRO C1=C[C@H]([N@@H+]2CC[C@@H](C3CC3)C2)CCCCC1 ZINC000573628156 364880656 /nfs/dbraw/zinc/88/06/56/364880656.db2.gz HCCFOIJWBXDPED-CABCVRRESA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@H]([N@@H+]2CC[C@H](C3CC3)C2)CCCCC1 ZINC000573628158 364880063 /nfs/dbraw/zinc/88/00/63/364880063.db2.gz HCCFOIJWBXDPED-GJZGRUSLSA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@@H]([N@@H+]2CC[C@@H](C3CC3)C2)CCCCC1 ZINC000573628159 364879827 /nfs/dbraw/zinc/87/98/27/364879827.db2.gz HCCFOIJWBXDPED-HUUCEWRRSA-N 1 0 219.372 3.607 20 0 BHADRO C1=C[C@@H]([N@@H+]2CC[C@H](C3CC3)C2)CCCCC1 ZINC000573628160 364879715 /nfs/dbraw/zinc/87/97/15/364879715.db2.gz HCCFOIJWBXDPED-LSDHHAIUSA-N 1 0 219.372 3.607 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000573647369 364881642 /nfs/dbraw/zinc/88/16/42/364881642.db2.gz LVEGIZLHDRWJOB-DOMZBBRYSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000573647370 364881497 /nfs/dbraw/zinc/88/14/97/364881497.db2.gz LVEGIZLHDRWJOB-IUODEOHRSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)o1 ZINC000573647371 364882031 /nfs/dbraw/zinc/88/20/31/364882031.db2.gz LVEGIZLHDRWJOB-SWLSCSKDSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1ccc(CC[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)o1 ZINC000573647373 364881611 /nfs/dbraw/zinc/88/16/11/364881611.db2.gz LVEGIZLHDRWJOB-WFASDCNBSA-N 1 0 247.382 3.713 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000573665139 364886451 /nfs/dbraw/zinc/88/64/51/364886451.db2.gz MQSFFHIPXFTMFL-LLLHUVSDSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@@H](C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000573665140 364886523 /nfs/dbraw/zinc/88/65/23/364886523.db2.gz MQSFFHIPXFTMFL-QMCVQRASSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000573665141 364886667 /nfs/dbraw/zinc/88/66/67/364886667.db2.gz MQSFFHIPXFTMFL-XBVQOTNRSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000573665142 344477025 /nfs/dbraw/zinc/47/70/25/344477025.db2.gz MQSFFHIPXFTMFL-XLNGHYISSA-N 1 0 243.394 3.877 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000573670745 364888083 /nfs/dbraw/zinc/88/80/83/364888083.db2.gz IEKRAXGTSPXSBY-DZGCQCFKSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000573670746 364888284 /nfs/dbraw/zinc/88/82/84/364888284.db2.gz IEKRAXGTSPXSBY-HIFRSBDPSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000573670747 364888261 /nfs/dbraw/zinc/88/82/61/364888261.db2.gz IEKRAXGTSPXSBY-UKRRQHHQSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000573670748 364888534 /nfs/dbraw/zinc/88/85/34/364888534.db2.gz IEKRAXGTSPXSBY-ZFWWWQNUSA-N 1 0 242.366 3.755 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000573710668 364898747 /nfs/dbraw/zinc/89/87/47/364898747.db2.gz RYDHLGKWIVUUAS-UHFFFAOYSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000573711032 364899215 /nfs/dbraw/zinc/89/92/15/364899215.db2.gz XNYAFYZVMPYKTI-BLLLJJGKSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000573711033 364899686 /nfs/dbraw/zinc/89/96/86/364899686.db2.gz XNYAFYZVMPYKTI-LRDDRELGSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000573711034 364899222 /nfs/dbraw/zinc/89/92/22/364899222.db2.gz XNYAFYZVMPYKTI-MLGOLLRUSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000573711035 364898617 /nfs/dbraw/zinc/89/86/17/364898617.db2.gz XNYAFYZVMPYKTI-WBMJQRKESA-N 1 0 229.367 3.626 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000573723365 364902638 /nfs/dbraw/zinc/90/26/38/364902638.db2.gz XVNBMKNQEGENMR-KGYLQXTDSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000573723366 364897934 /nfs/dbraw/zinc/89/79/34/364897934.db2.gz XVNBMKNQEGENMR-RAIGVLPGSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000573723367 364898044 /nfs/dbraw/zinc/89/80/44/364898044.db2.gz XVNBMKNQEGENMR-RTXFEEFZSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000573723368 364898262 /nfs/dbraw/zinc/89/82/62/364898262.db2.gz XVNBMKNQEGENMR-WXHSDQCUSA-N 1 0 241.375 3.549 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCCCCF ZINC000573736870 364905097 /nfs/dbraw/zinc/90/50/97/364905097.db2.gz NFCMFXWIAPWPQF-CYBMUJFWSA-N 1 0 215.356 3.781 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCCCCF ZINC000573736871 364904628 /nfs/dbraw/zinc/90/46/28/364904628.db2.gz NFCMFXWIAPWPQF-ZDUSSCGKSA-N 1 0 215.356 3.781 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000573749939 364909773 /nfs/dbraw/zinc/90/97/73/364909773.db2.gz GHXJEVRSAUDNCB-AGIUHOORSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000573749940 364909328 /nfs/dbraw/zinc/90/93/28/364909328.db2.gz GHXJEVRSAUDNCB-FRRDWIJNSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000573749941 364909628 /nfs/dbraw/zinc/90/96/28/364909628.db2.gz GHXJEVRSAUDNCB-JHJVBQTASA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000573749942 364909802 /nfs/dbraw/zinc/90/98/02/364909802.db2.gz GHXJEVRSAUDNCB-UPJWGTAASA-N 1 0 209.377 3.543 20 0 BHADRO Clc1cccc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000573754709 364910792 /nfs/dbraw/zinc/91/07/92/364910792.db2.gz BLZKFQMJBXCLJN-UHFFFAOYSA-N 1 0 249.785 3.962 20 0 BHADRO CC[N@H+](CC1(C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000573778790 364913761 /nfs/dbraw/zinc/91/37/61/364913761.db2.gz OEDXXWKAGMYQFN-CYBMUJFWSA-N 1 0 247.382 3.878 20 0 BHADRO CC[N@H+](CC1(C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000573778791 364913541 /nfs/dbraw/zinc/91/35/41/364913541.db2.gz OEDXXWKAGMYQFN-ZDUSSCGKSA-N 1 0 247.382 3.878 20 0 BHADRO CSc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCC2 ZINC000573802041 364918992 /nfs/dbraw/zinc/91/89/92/364918992.db2.gz ZNFOMOXVGBDBHJ-AWEZNQCLSA-N 1 0 233.380 3.538 20 0 BHADRO CSc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCC2 ZINC000573802042 364919978 /nfs/dbraw/zinc/91/99/78/364919978.db2.gz ZNFOMOXVGBDBHJ-CQSZACIVSA-N 1 0 233.380 3.538 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816572 364923663 /nfs/dbraw/zinc/92/36/63/364923663.db2.gz HFPOOZUKSHPYKM-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816575 364924001 /nfs/dbraw/zinc/92/40/01/364924001.db2.gz HFPOOZUKSHPYKM-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816576 364924013 /nfs/dbraw/zinc/92/40/13/364924013.db2.gz HFPOOZUKSHPYKM-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816577 364923744 /nfs/dbraw/zinc/92/37/44/364923744.db2.gz HFPOOZUKSHPYKM-WRWGMCAJSA-N 1 0 238.400 3.618 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000573817449 364923645 /nfs/dbraw/zinc/92/36/45/364923645.db2.gz MMBVKWFCNAOFBW-SECBINFHSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000573817453 364923778 /nfs/dbraw/zinc/92/37/78/364923778.db2.gz MMBVKWFCNAOFBW-VIFPVBQESA-N 1 0 239.384 3.596 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000573836449 364926913 /nfs/dbraw/zinc/92/69/13/364926913.db2.gz FTYILXXKZXMCOR-HUBLWGQQSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000573836577 364928769 /nfs/dbraw/zinc/92/87/69/364928769.db2.gz FTYILXXKZXMCOR-SLEUVZQESA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000573836578 364928028 /nfs/dbraw/zinc/92/80/28/364928028.db2.gz FTYILXXKZXMCOR-YWPYICTPSA-N 1 0 233.355 3.534 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000573836580 364928762 /nfs/dbraw/zinc/92/87/62/364928762.db2.gz FTYILXXKZXMCOR-ZOWXZIJZSA-N 1 0 233.355 3.534 20 0 BHADRO CSc1ccc(C[N@H+](C)CCC2CC2)s1 ZINC000573854277 364930324 /nfs/dbraw/zinc/93/03/24/364930324.db2.gz REYYMONPJHHDIK-UHFFFAOYSA-N 1 0 241.425 3.702 20 0 BHADRO C[C@H](C[NH2+]C(C1CCC1)C1CCC1)C(F)(F)F ZINC000573902576 364940200 /nfs/dbraw/zinc/94/02/00/364940200.db2.gz DYRBCSPMNASSQI-SECBINFHSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)C(F)(F)F ZINC000573902577 364940004 /nfs/dbraw/zinc/94/00/04/364940004.db2.gz DYRBCSPMNASSQI-VIFPVBQESA-N 1 0 249.320 3.743 20 0 BHADRO CCC[N@H+](Cc1cc(-c2ccco2)on1)C(C)C ZINC000573931243 364949109 /nfs/dbraw/zinc/94/91/09/364949109.db2.gz OZCQLDZJAXZMEX-UHFFFAOYSA-N 1 0 248.326 3.555 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000573931395 364948663 /nfs/dbraw/zinc/94/86/63/364948663.db2.gz UEJKBTNFPRRVFW-ARJAWSKDSA-N 1 0 242.366 3.527 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000573931396 364949222 /nfs/dbraw/zinc/94/92/22/364949222.db2.gz UEJKBTNFPRRVFW-ONEGZZNKSA-N 1 0 242.366 3.527 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000573941931 364952241 /nfs/dbraw/zinc/95/22/41/364952241.db2.gz DUEXHEYKISIRPV-AWEZNQCLSA-N 1 0 219.372 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000573941934 364952645 /nfs/dbraw/zinc/95/26/45/364952645.db2.gz DUEXHEYKISIRPV-CQSZACIVSA-N 1 0 219.372 3.655 20 0 BHADRO CCC[N@H+](CCCc1cnccc1C)CC(C)C ZINC000573960913 364954682 /nfs/dbraw/zinc/95/46/82/364954682.db2.gz IBVFPHKMHGXQCM-UHFFFAOYSA-N 1 0 248.414 3.691 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000573967422 364956535 /nfs/dbraw/zinc/95/65/35/364956535.db2.gz WTDATWWIJLDWKY-AVGNSLFASA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000573967425 364956221 /nfs/dbraw/zinc/95/62/21/364956221.db2.gz WTDATWWIJLDWKY-RWMBFGLXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000573967426 364955942 /nfs/dbraw/zinc/95/59/42/364955942.db2.gz WTDATWWIJLDWKY-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000573967427 364957764 /nfs/dbraw/zinc/95/77/64/364957764.db2.gz WTDATWWIJLDWKY-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000573974496 364958407 /nfs/dbraw/zinc/95/84/07/364958407.db2.gz XLQBXMMWLHHFDZ-CFVMTHIKSA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@H]1F)c1ccccc1 ZINC000573974500 364958416 /nfs/dbraw/zinc/95/84/16/364958416.db2.gz XLQBXMMWLHHFDZ-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO CCc1ccc(CC[N@@H+]2CCCC2(C)C)cc1 ZINC000573993175 364963668 /nfs/dbraw/zinc/96/36/68/364963668.db2.gz DJYGUPHAOLGVFN-UHFFFAOYSA-N 1 0 231.383 3.666 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000574002630 364965158 /nfs/dbraw/zinc/96/51/58/364965158.db2.gz JYFDWSDTLCFQGA-DSPQJCBJSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000574002631 364965228 /nfs/dbraw/zinc/96/52/28/364965228.db2.gz JYFDWSDTLCFQGA-DUPGQFARSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000574002633 364963113 /nfs/dbraw/zinc/96/31/13/364963113.db2.gz JYFDWSDTLCFQGA-LMRQPLJMSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000574002635 364963566 /nfs/dbraw/zinc/96/35/66/364963566.db2.gz JYFDWSDTLCFQGA-TWJWRFFLSA-N 1 0 245.366 3.533 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCc1cccs1 ZINC000574012598 364966951 /nfs/dbraw/zinc/96/69/51/364966951.db2.gz ICLPJPGGADZLMH-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCc1cccs1 ZINC000574012599 364966242 /nfs/dbraw/zinc/96/62/42/364966242.db2.gz ICLPJPGGADZLMH-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000574025736 364969407 /nfs/dbraw/zinc/96/94/07/364969407.db2.gz CGKLNFFOPICMAN-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000574025737 364969767 /nfs/dbraw/zinc/96/97/67/364969767.db2.gz CGKLNFFOPICMAN-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(C)(F)C2)c(Cl)c1 ZINC000574046227 364975829 /nfs/dbraw/zinc/97/58/29/364975829.db2.gz GKVXDCAUSMBYQV-UHFFFAOYSA-N 1 0 241.737 3.629 20 0 BHADRO [NH3+][C@@H]1CCC[C@@H](Nc2csc3ccccc23)C1 ZINC000574053124 364978760 /nfs/dbraw/zinc/97/87/60/364978760.db2.gz HUYKVOXANYWCNJ-GHMZBOCLSA-N 1 0 246.379 3.583 20 0 BHADRO [NH3+][C@@H]1CCC[C@H](Nc2csc3ccccc23)C1 ZINC000574053133 364978642 /nfs/dbraw/zinc/97/86/42/364978642.db2.gz HUYKVOXANYWCNJ-MNOVXSKESA-N 1 0 246.379 3.583 20 0 BHADRO [NH3+][C@H]1CCC[C@H](Nc2csc3ccccc23)C1 ZINC000574053135 344644561 /nfs/dbraw/zinc/64/45/61/344644561.db2.gz HUYKVOXANYWCNJ-QWRGUYRKSA-N 1 0 246.379 3.583 20 0 BHADRO [NH3+][C@H]1CCC[C@@H](Nc2csc3ccccc23)C1 ZINC000574053137 344644517 /nfs/dbraw/zinc/64/45/17/344644517.db2.gz HUYKVOXANYWCNJ-WDEREUQCSA-N 1 0 246.379 3.583 20 0 BHADRO CCC1CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000574061929 364979808 /nfs/dbraw/zinc/97/98/08/364979808.db2.gz WYODZSYMDWFJJS-LVBITLCTSA-N 1 0 229.367 3.568 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000574074441 364982652 /nfs/dbraw/zinc/98/26/52/364982652.db2.gz QSDIAVPZHMERPR-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000574074442 364982607 /nfs/dbraw/zinc/98/26/07/364982607.db2.gz QSDIAVPZHMERPR-BYNSBNAKSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000574074443 364982640 /nfs/dbraw/zinc/98/26/40/364982640.db2.gz QSDIAVPZHMERPR-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000574074444 364981330 /nfs/dbraw/zinc/98/13/30/364981330.db2.gz QSDIAVPZHMERPR-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)C(C)(C)C ZINC000574080074 364984050 /nfs/dbraw/zinc/98/40/50/364984050.db2.gz PRSQLTFLUZJWAG-UHFFFAOYSA-N 1 0 235.371 3.704 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000574086839 364984987 /nfs/dbraw/zinc/98/49/87/364984987.db2.gz RWMPZRSOOLMGHK-BRXULGCHSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000574086842 364984867 /nfs/dbraw/zinc/98/48/67/364984867.db2.gz RWMPZRSOOLMGHK-JXFSHQFZSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000574086843 488020407 /nfs/dbraw/zinc/02/04/07/488020407.db2.gz RWMPZRSOOLMGHK-VLXAULBPSA-N 1 0 247.382 3.638 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000574086846 488019707 /nfs/dbraw/zinc/01/97/07/488019707.db2.gz RWMPZRSOOLMGHK-VPWBDBDCSA-N 1 0 247.382 3.638 20 0 BHADRO CCc1cccc(C[NH2+]Cc2cc(C)cs2)c1 ZINC000574090944 364986262 /nfs/dbraw/zinc/98/62/62/364986262.db2.gz DPAXEGVGZUCJIQ-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO Cc1cccc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000574143892 364995758 /nfs/dbraw/zinc/99/57/58/364995758.db2.gz BPZPNZYJVRDEEM-UHFFFAOYSA-N 1 0 229.367 3.617 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCCC(C)(F)F)CC1 ZINC000574148332 364995750 /nfs/dbraw/zinc/99/57/50/364995750.db2.gz HQFGBPNJAIILNZ-LLVKDONJSA-N 1 0 217.303 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]CCCC(C)(F)F)CC1 ZINC000574148336 364995305 /nfs/dbraw/zinc/99/53/05/364995305.db2.gz HQFGBPNJAIILNZ-NSHDSACASA-N 1 0 217.303 3.510 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000574157353 364997986 /nfs/dbraw/zinc/99/79/86/364997986.db2.gz YEJWHNJETSGBBH-CRWXNKLISA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000574157354 364998351 /nfs/dbraw/zinc/99/83/51/364998351.db2.gz YEJWHNJETSGBBH-DGAVXFQQSA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000574157355 364998526 /nfs/dbraw/zinc/99/85/26/364998526.db2.gz YEJWHNJETSGBBH-FQUUOJAGSA-N 1 0 245.357 3.775 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000574157356 364998451 /nfs/dbraw/zinc/99/84/51/364998451.db2.gz YEJWHNJETSGBBH-XUXIUFHCSA-N 1 0 245.357 3.775 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000574176969 365005090 /nfs/dbraw/zinc/00/50/90/365005090.db2.gz KCAWBAOZZXZKFC-DHMWGJHJSA-N 1 0 235.346 3.516 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000574176978 365005745 /nfs/dbraw/zinc/00/57/45/365005745.db2.gz KCAWBAOZZXZKFC-JURCDPSOSA-N 1 0 235.346 3.516 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000574176979 365005543 /nfs/dbraw/zinc/00/55/43/365005543.db2.gz KCAWBAOZZXZKFC-NEBZKDRISA-N 1 0 235.346 3.516 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000574176980 365005761 /nfs/dbraw/zinc/00/57/61/365005761.db2.gz KCAWBAOZZXZKFC-UXOAXIEHSA-N 1 0 235.346 3.516 20 0 BHADRO C[C@@H]([NH2+]CCCF)c1ccc(F)c2ccccc21 ZINC000574177609 365005597 /nfs/dbraw/zinc/00/55/97/365005597.db2.gz RWGKVEWJRFVEKL-LLVKDONJSA-N 1 0 249.304 3.989 20 0 BHADRO C[C@H]([NH2+]CCCF)c1ccc(F)c2ccccc21 ZINC000574177610 365005275 /nfs/dbraw/zinc/00/52/75/365005275.db2.gz RWGKVEWJRFVEKL-NSHDSACASA-N 1 0 249.304 3.989 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H](C)CCC(C)C ZINC000574183491 365005132 /nfs/dbraw/zinc/00/51/32/365005132.db2.gz JPQCEKISAFEZKG-AWEZNQCLSA-N 1 0 243.435 3.854 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H](C)CCC(C)C ZINC000574183492 365005698 /nfs/dbraw/zinc/00/56/98/365005698.db2.gz JPQCEKISAFEZKG-CQSZACIVSA-N 1 0 243.435 3.854 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000574185333 365006727 /nfs/dbraw/zinc/00/67/27/365006727.db2.gz ZVIHOAYXYZYAIG-KBPBESRZSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000574185338 365006834 /nfs/dbraw/zinc/00/68/34/365006834.db2.gz ZVIHOAYXYZYAIG-KGLIPLIRSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000574185339 365006866 /nfs/dbraw/zinc/00/68/66/365006866.db2.gz ZVIHOAYXYZYAIG-UONOGXRCSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000574185341 365006972 /nfs/dbraw/zinc/00/69/72/365006972.db2.gz ZVIHOAYXYZYAIG-ZIAGYGMSSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574193538 365008039 /nfs/dbraw/zinc/00/80/39/365008039.db2.gz QNQZVXNKIJTHIA-PHIMTYICSA-N 1 0 237.309 3.695 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCOC1)C1CCCCC1 ZINC000574194562 365008260 /nfs/dbraw/zinc/00/82/60/365008260.db2.gz WCAIUUBVIBSJMC-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCOC1)C1CCCCC1 ZINC000574194563 365008049 /nfs/dbraw/zinc/00/80/49/365008049.db2.gz WCAIUUBVIBSJMC-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC[NH+]1CCC2(CCCC2)CC1 ZINC000574200581 365009211 /nfs/dbraw/zinc/00/92/11/365009211.db2.gz CSBDROYYZUBVMJ-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CCCOCc1ccccc1C[NH2+]CC1(C)CC1 ZINC000574223422 365014403 /nfs/dbraw/zinc/01/44/03/365014403.db2.gz VUSGPGALXCAUOF-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO Cc1ccc(SCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000574226169 365014340 /nfs/dbraw/zinc/01/43/40/365014340.db2.gz HEYTUWHTAHEKLU-AWEZNQCLSA-N 1 0 249.423 3.962 20 0 BHADRO Cc1ccc(SCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000574226170 365014818 /nfs/dbraw/zinc/01/48/18/365014818.db2.gz HEYTUWHTAHEKLU-CQSZACIVSA-N 1 0 249.423 3.962 20 0 BHADRO CCC[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000574228922 365015739 /nfs/dbraw/zinc/01/57/39/365015739.db2.gz WKYUMNSIEJQVQC-INIZCTEOSA-N 1 0 231.383 3.660 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000574235091 365017428 /nfs/dbraw/zinc/01/74/28/365017428.db2.gz ACPWNNHOFFRQAR-IHRRRGAJSA-N 1 0 243.435 3.586 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000574235092 365017117 /nfs/dbraw/zinc/01/71/17/365017117.db2.gz ACPWNNHOFFRQAR-MCIONIFRSA-N 1 0 243.435 3.586 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000574235093 365017031 /nfs/dbraw/zinc/01/70/31/365017031.db2.gz ACPWNNHOFFRQAR-MJBXVCDLSA-N 1 0 243.435 3.586 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000574235094 365016994 /nfs/dbraw/zinc/01/69/94/365016994.db2.gz ACPWNNHOFFRQAR-RDBSUJKOSA-N 1 0 243.435 3.586 20 0 BHADRO C[C@@H](C[NH+]1CCC(C)(C2CC2)CC1)C(F)(F)F ZINC000574242349 365017694 /nfs/dbraw/zinc/01/76/94/365017694.db2.gz FHKAQENSARFAIF-JTQLQIEISA-N 1 0 249.320 3.697 20 0 BHADRO C[C@H](C[NH+]1CCC(C)(C2CC2)CC1)C(F)(F)F ZINC000574242350 365017390 /nfs/dbraw/zinc/01/73/90/365017390.db2.gz FHKAQENSARFAIF-SNVBAGLBSA-N 1 0 249.320 3.697 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574268157 365021561 /nfs/dbraw/zinc/02/15/61/365021561.db2.gz AUQYHBOZZMZWPG-CUZDEVPKSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574268158 365021549 /nfs/dbraw/zinc/02/15/49/365021549.db2.gz AUQYHBOZZMZWPG-OEYUUCTPSA-N 1 0 239.403 3.501 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000574273212 365024364 /nfs/dbraw/zinc/02/43/64/365024364.db2.gz ABXXKPOJIOORSI-AGIUHOORSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000574273213 365024706 /nfs/dbraw/zinc/02/47/06/365024706.db2.gz ABXXKPOJIOORSI-AVGNSLFASA-N 1 0 243.341 3.686 20 0 BHADRO Cc1cccc([C@@H](C)SCC2CC[NH2+]CC2)c1 ZINC000574274480 365024508 /nfs/dbraw/zinc/02/45/08/365024508.db2.gz HANKPPKMSOPQRE-CYBMUJFWSA-N 1 0 249.423 3.789 20 0 BHADRO Cc1cccc([C@H](C)SCC2CC[NH2+]CC2)c1 ZINC000574274484 365025018 /nfs/dbraw/zinc/02/50/18/365025018.db2.gz HANKPPKMSOPQRE-ZDUSSCGKSA-N 1 0 249.423 3.789 20 0 BHADRO CCC[C@H](CC)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000574285628 365029008 /nfs/dbraw/zinc/02/90/08/365029008.db2.gz OZOFTGLQIWPWKY-AWEZNQCLSA-N 1 0 247.382 3.853 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000574285629 365029725 /nfs/dbraw/zinc/02/97/25/365029725.db2.gz OZOFTGLQIWPWKY-CQSZACIVSA-N 1 0 247.382 3.853 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292044 365032433 /nfs/dbraw/zinc/03/24/33/365032433.db2.gz HCUFGMCONYERGV-NEPJUHHUSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292045 365032641 /nfs/dbraw/zinc/03/26/41/365032641.db2.gz HCUFGMCONYERGV-NWDGAFQWSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292046 365032497 /nfs/dbraw/zinc/03/24/97/365032497.db2.gz HCUFGMCONYERGV-RYUDHWBXSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292047 365032557 /nfs/dbraw/zinc/03/25/57/365032557.db2.gz HCUFGMCONYERGV-VXGBXAGGSA-N 1 0 236.359 3.684 20 0 BHADRO Cc1ccccc1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000574302714 365033248 /nfs/dbraw/zinc/03/32/48/365033248.db2.gz OGLLBOOBSNRKNE-INIZCTEOSA-N 1 0 229.367 3.626 20 0 BHADRO Cc1ccccc1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000574302716 365033953 /nfs/dbraw/zinc/03/39/53/365033953.db2.gz OGLLBOOBSNRKNE-MRXNPFEDSA-N 1 0 229.367 3.626 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000574310520 365033543 /nfs/dbraw/zinc/03/35/43/365033543.db2.gz SDSVHOWOCMXNDE-CABCVRRESA-N 1 0 243.325 3.820 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000574310524 365033750 /nfs/dbraw/zinc/03/37/50/365033750.db2.gz SDSVHOWOCMXNDE-GJZGRUSLSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000574310526 365033573 /nfs/dbraw/zinc/03/35/73/365033573.db2.gz SDSVHOWOCMXNDE-HUUCEWRRSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000574310528 365033019 /nfs/dbraw/zinc/03/30/19/365033019.db2.gz SDSVHOWOCMXNDE-LSDHHAIUSA-N 1 0 243.325 3.820 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000574310938 365033876 /nfs/dbraw/zinc/03/38/76/365033876.db2.gz ZAVRDUUUQGVGRI-CABCVRRESA-N 1 0 249.373 3.964 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000574310939 365033871 /nfs/dbraw/zinc/03/38/71/365033871.db2.gz ZAVRDUUUQGVGRI-GJZGRUSLSA-N 1 0 249.373 3.964 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000574310940 365033783 /nfs/dbraw/zinc/03/37/83/365033783.db2.gz ZAVRDUUUQGVGRI-HUUCEWRRSA-N 1 0 249.373 3.964 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000574310941 365033631 /nfs/dbraw/zinc/03/36/31/365033631.db2.gz ZAVRDUUUQGVGRI-LSDHHAIUSA-N 1 0 249.373 3.964 20 0 BHADRO Cc1ccc(CC[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000574316389 365034747 /nfs/dbraw/zinc/03/47/47/365034747.db2.gz DRYGDGQLSRMQNA-UHFFFAOYSA-N 1 0 243.394 3.658 20 0 BHADRO CC(C)SCC[N@H+](C1CC1)C1CCCC1 ZINC000574341184 365042346 /nfs/dbraw/zinc/04/23/46/365042346.db2.gz VGNCDKMYVJXIQJ-UHFFFAOYSA-N 1 0 227.417 3.535 20 0 BHADRO CC1(C[NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC000574347684 365042783 /nfs/dbraw/zinc/04/27/83/365042783.db2.gz WJPMXSNUBYOPHW-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO Cc1ccc(C)c(C[N@H+](C)CCOC(C)(C)C)c1 ZINC000574351020 365044665 /nfs/dbraw/zinc/04/46/65/365044665.db2.gz BMQVAEDCUQOXIB-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1c(C)nsc1C ZINC000574355446 365043882 /nfs/dbraw/zinc/04/38/82/365043882.db2.gz SJFVUOIGYWXQKK-UHFFFAOYSA-N 1 0 240.416 3.818 20 0 BHADRO C[C@@H](C[NH2+]C(C)(C)C1CC1)Cc1ccccc1 ZINC000574379412 365047010 /nfs/dbraw/zinc/04/70/10/365047010.db2.gz YOIKZQJJYYOSDW-CYBMUJFWSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+]C(C)(C)C1CC1)Cc1ccccc1 ZINC000574379415 365046862 /nfs/dbraw/zinc/04/68/62/365046862.db2.gz YOIKZQJJYYOSDW-ZDUSSCGKSA-N 1 0 231.383 3.643 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1cc2cccnc2o1 ZINC000574396082 365052911 /nfs/dbraw/zinc/05/29/11/365052911.db2.gz PZHHDEPDHWADRA-UHFFFAOYSA-N 1 0 246.354 3.744 20 0 BHADRO C[N@H+](Cc1ccc(C(F)F)cc1)C(C)(C)C ZINC000574397654 365052459 /nfs/dbraw/zinc/05/24/59/365052459.db2.gz TTWWYMUOOCPQDX-UHFFFAOYSA-N 1 0 227.298 3.855 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000574422766 365059317 /nfs/dbraw/zinc/05/93/17/365059317.db2.gz BPWZVIVEZWBAQU-UHFFFAOYSA-N 1 0 242.366 3.759 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCC1CCOCC1 ZINC000574441353 365061787 /nfs/dbraw/zinc/06/17/87/365061787.db2.gz JIBYSFOYQAGGJX-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCC1CCOCC1 ZINC000574441354 365062301 /nfs/dbraw/zinc/06/23/01/365062301.db2.gz JIBYSFOYQAGGJX-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+]CC1(C)CC1 ZINC000574461061 365067655 /nfs/dbraw/zinc/06/76/55/365067655.db2.gz MYXHHUFSUAVNLE-UHFFFAOYSA-N 1 0 229.323 3.631 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCCc1ccccn1 ZINC000574470257 365071123 /nfs/dbraw/zinc/07/11/23/365071123.db2.gz CTDPYFVSHOZFNP-AWEZNQCLSA-N 1 0 248.414 3.819 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCCc1ccccn1 ZINC000574470258 365070704 /nfs/dbraw/zinc/07/07/04/365070704.db2.gz CTDPYFVSHOZFNP-CQSZACIVSA-N 1 0 248.414 3.819 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H]1COc2ccccc21 ZINC000574482635 365072419 /nfs/dbraw/zinc/07/24/19/365072419.db2.gz ZXHBROBFFSMWKT-CYBMUJFWSA-N 1 0 247.382 3.721 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H]1COc2ccccc21 ZINC000574482636 365072702 /nfs/dbraw/zinc/07/27/02/365072702.db2.gz ZXHBROBFFSMWKT-ZDUSSCGKSA-N 1 0 247.382 3.721 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000574482976 365072117 /nfs/dbraw/zinc/07/21/17/365072117.db2.gz ALAYHCJESAPNRW-RVMXOQNASA-N 1 0 209.377 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000574482977 365072900 /nfs/dbraw/zinc/07/29/00/365072900.db2.gz ALAYHCJESAPNRW-WUHRBBMRSA-N 1 0 209.377 3.589 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000574482978 365072363 /nfs/dbraw/zinc/07/23/63/365072363.db2.gz ALAYHCJESAPNRW-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO CC[N@H+](C[C@@H](OC)c1ccccc1)[C@H](C)C(C)C ZINC000574501683 365075227 /nfs/dbraw/zinc/07/52/27/365075227.db2.gz ZGUBMWVZFNHTRF-GDBMZVCRSA-N 1 0 249.398 3.741 20 0 BHADRO CC[N@H+](C[C@@H](OC)c1ccccc1)[C@@H](C)C(C)C ZINC000574501685 365075546 /nfs/dbraw/zinc/07/55/46/365075546.db2.gz ZGUBMWVZFNHTRF-GOEBONIOSA-N 1 0 249.398 3.741 20 0 BHADRO CC[N@H+](C[C@H](OC)c1ccccc1)[C@@H](C)C(C)C ZINC000574501686 365075376 /nfs/dbraw/zinc/07/53/76/365075376.db2.gz ZGUBMWVZFNHTRF-HOCLYGCPSA-N 1 0 249.398 3.741 20 0 BHADRO CC[N@H+](C[C@H](OC)c1ccccc1)[C@H](C)C(C)C ZINC000574501687 365074861 /nfs/dbraw/zinc/07/48/61/365074861.db2.gz ZGUBMWVZFNHTRF-ZBFHGGJFSA-N 1 0 249.398 3.741 20 0 BHADRO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)c1 ZINC000574514441 344878643 /nfs/dbraw/zinc/87/86/43/344878643.db2.gz GOGPJKVZHIJALJ-AWEZNQCLSA-N 1 0 248.414 3.607 20 0 BHADRO Cc1cnc(CC[N@@H+](C)[C@H](C)C(C)(C)C)c(C)c1 ZINC000574514442 344879086 /nfs/dbraw/zinc/87/90/86/344879086.db2.gz GOGPJKVZHIJALJ-CQSZACIVSA-N 1 0 248.414 3.607 20 0 BHADRO COc1cc(C[NH2+]C2(C)CCCCC2)ccc1C ZINC000574514585 365078325 /nfs/dbraw/zinc/07/83/25/365078325.db2.gz BBZMYFJTEMRUCX-UHFFFAOYSA-N 1 0 247.382 3.816 20 0 BHADRO Cc1cnccc1CC[N@@H+](C)C1CCCCCC1 ZINC000574514652 365078358 /nfs/dbraw/zinc/07/83/58/365078358.db2.gz NWLAOAYCVKVQDT-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000574517365 365080355 /nfs/dbraw/zinc/08/03/55/365080355.db2.gz BKLSXCPCCDCFME-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCc1ccc(C[N@H+](C)C(C)(C)C)s1 ZINC000574573300 365093706 /nfs/dbraw/zinc/09/37/06/365093706.db2.gz GLOZBMGKDWRGPY-UHFFFAOYSA-N 1 0 211.374 3.541 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C(C)(C)c1ccccc1 ZINC000574593829 365099970 /nfs/dbraw/zinc/09/99/70/365099970.db2.gz APCGQEXDLIFFMD-AEGPPILISA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C(C)(C)c1ccccc1 ZINC000574593830 365099214 /nfs/dbraw/zinc/09/92/14/365099214.db2.gz APCGQEXDLIFFMD-CFVMTHIKSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C(C)(C)c1ccccc1 ZINC000574593831 365099265 /nfs/dbraw/zinc/09/92/65/365099265.db2.gz APCGQEXDLIFFMD-NWANDNLSSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)C(C)(C)c1ccccc1 ZINC000574593832 365099885 /nfs/dbraw/zinc/09/98/85/365099885.db2.gz APCGQEXDLIFFMD-QEJZJMRPSA-N 1 0 249.373 3.833 20 0 BHADRO CCC[N@H+](Cc1ccc(Cl)cc1)C(C)C ZINC000574594473 365099096 /nfs/dbraw/zinc/09/90/96/365099096.db2.gz VYUYPWFKDYILOV-UHFFFAOYSA-N 1 0 225.763 3.960 20 0 BHADRO c1csc(CCC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000574601455 365099947 /nfs/dbraw/zinc/09/99/47/365099947.db2.gz YQBLRWBLECUPMB-AWEZNQCLSA-N 1 0 249.423 3.993 20 0 BHADRO c1csc(CCC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000574601458 365099711 /nfs/dbraw/zinc/09/97/11/365099711.db2.gz YQBLRWBLECUPMB-CQSZACIVSA-N 1 0 249.423 3.993 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000574608190 344932345 /nfs/dbraw/zinc/93/23/45/344932345.db2.gz ADFFUAPACUONEZ-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000574608193 344932329 /nfs/dbraw/zinc/93/23/29/344932329.db2.gz ADFFUAPACUONEZ-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000574608194 344932771 /nfs/dbraw/zinc/93/27/71/344932771.db2.gz ADFFUAPACUONEZ-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000574608195 344932400 /nfs/dbraw/zinc/93/24/00/344932400.db2.gz ADFFUAPACUONEZ-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000574613227 365100299 /nfs/dbraw/zinc/10/02/99/365100299.db2.gz GYEZDWQYJDNPEO-HNNXBMFYSA-N 1 0 249.398 3.822 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCCCOc1ccccc1 ZINC000574613228 365100265 /nfs/dbraw/zinc/10/02/65/365100265.db2.gz GYEZDWQYJDNPEO-OAHLLOKOSA-N 1 0 249.398 3.822 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000574621147 365102215 /nfs/dbraw/zinc/10/22/15/365102215.db2.gz GOYGBZMFXDWIOH-KBMXLJTQSA-N 1 0 231.383 3.814 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000574626137 365104849 /nfs/dbraw/zinc/10/48/49/365104849.db2.gz BCKGOZJXNHIODU-AWEZNQCLSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000574626138 365104207 /nfs/dbraw/zinc/10/42/07/365104207.db2.gz BCKGOZJXNHIODU-CQSZACIVSA-N 1 0 232.371 3.701 20 0 BHADRO Fc1cc(-c2ccco2)ccc1C[NH2+]CC1CC1 ZINC000574635748 365107978 /nfs/dbraw/zinc/10/79/78/365107978.db2.gz UVXRLXKECJIOGJ-UHFFFAOYSA-N 1 0 245.297 3.585 20 0 BHADRO COc1cc(C[NH2+][C@H]2CC=C(C)CC2)ccc1C ZINC000574659161 365116740 /nfs/dbraw/zinc/11/67/40/365116740.db2.gz WIWFBGWJXZJNMA-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CC=C(C)CC2)ccc1C ZINC000574659162 365117166 /nfs/dbraw/zinc/11/71/66/365117166.db2.gz WIWFBGWJXZJNMA-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000574664717 365117188 /nfs/dbraw/zinc/11/71/88/365117188.db2.gz CXLVGFBCQYIQKE-AWEZNQCLSA-N 1 0 231.383 3.786 20 0 BHADRO CC(C)C1([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000574664720 365115879 /nfs/dbraw/zinc/11/58/79/365115879.db2.gz CXLVGFBCQYIQKE-CQSZACIVSA-N 1 0 231.383 3.786 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000574671127 365117887 /nfs/dbraw/zinc/11/78/87/365117887.db2.gz NLFSRZNSHMOKDE-JHANDDDOSA-N 1 0 233.330 3.591 20 0 BHADRO CCC1CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000574671128 365117646 /nfs/dbraw/zinc/11/76/46/365117646.db2.gz NLFSRZNSHMOKDE-KHXKVGHRSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC000574676625 365117686 /nfs/dbraw/zinc/11/76/86/365117686.db2.gz LLCTWMRBFVHZKC-CHWSQXEVSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC000574676626 365117498 /nfs/dbraw/zinc/11/74/98/365117498.db2.gz LLCTWMRBFVHZKC-OLZOCXBDSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC000574676628 365118025 /nfs/dbraw/zinc/11/80/25/365118025.db2.gz LLCTWMRBFVHZKC-QWHCGFSZSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC000574676629 365118709 /nfs/dbraw/zinc/11/87/09/365118709.db2.gz LLCTWMRBFVHZKC-STQMWFEESA-N 1 0 247.382 3.752 20 0 BHADRO C[N@H+](Cc1ccccc1Cl)C(C)(C)C ZINC000574687930 344960687 /nfs/dbraw/zinc/96/06/87/344960687.db2.gz BAKGCAXUPSHRCE-UHFFFAOYSA-N 1 0 211.736 3.570 20 0 BHADRO Cc1cc2cc(C[NH+]3CC(C)C3)oc2cc1C ZINC000574707176 365127418 /nfs/dbraw/zinc/12/74/18/365127418.db2.gz TUSGVWITJDSSGI-UHFFFAOYSA-N 1 0 229.323 3.501 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCCF ZINC000574709287 365127709 /nfs/dbraw/zinc/12/77/09/365127709.db2.gz CLBLVGFYLTVCQH-KBPBESRZSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@H]([NH2+]CCCCCF)[C@@H](C)c1ccccc1 ZINC000574709289 365128664 /nfs/dbraw/zinc/12/86/64/365128664.db2.gz CLBLVGFYLTVCQH-KGLIPLIRSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)[C@H](C)c1ccccc1 ZINC000574709291 365127582 /nfs/dbraw/zinc/12/75/82/365127582.db2.gz CLBLVGFYLTVCQH-UONOGXRCSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)[C@@H](C)c1ccccc1 ZINC000574709292 365128622 /nfs/dbraw/zinc/12/86/22/365128622.db2.gz CLBLVGFYLTVCQH-ZIAGYGMSSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000574714956 365129108 /nfs/dbraw/zinc/12/91/08/365129108.db2.gz YGSBRIJBICRPSB-NXEZZACHSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000574714958 365129751 /nfs/dbraw/zinc/12/97/51/365129751.db2.gz YGSBRIJBICRPSB-UWVGGRQHSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000574714960 365129876 /nfs/dbraw/zinc/12/98/76/365129876.db2.gz YGSBRIJBICRPSB-VHSXEESVSA-N 1 0 241.737 3.567 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000574714962 365130046 /nfs/dbraw/zinc/13/00/46/365130046.db2.gz YGSBRIJBICRPSB-ZJUUUORDSA-N 1 0 241.737 3.567 20 0 BHADRO c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000574717721 365129097 /nfs/dbraw/zinc/12/90/97/365129097.db2.gz FATUUJDNVAQZAY-GDBMZVCRSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000574717725 365129374 /nfs/dbraw/zinc/12/93/74/365129374.db2.gz FATUUJDNVAQZAY-GOEBONIOSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000574717728 365130135 /nfs/dbraw/zinc/13/01/35/365130135.db2.gz FATUUJDNVAQZAY-HOCLYGCPSA-N 1 0 229.367 3.540 20 0 BHADRO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000574717729 365129328 /nfs/dbraw/zinc/12/93/28/365129328.db2.gz FATUUJDNVAQZAY-ZBFHGGJFSA-N 1 0 229.367 3.540 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000574722804 365129238 /nfs/dbraw/zinc/12/92/38/365129238.db2.gz RYGNJZZQDIWUIE-LLVKDONJSA-N 1 0 249.320 3.863 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000574722806 365129463 /nfs/dbraw/zinc/12/94/63/365129463.db2.gz RYGNJZZQDIWUIE-NSHDSACASA-N 1 0 249.320 3.863 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000574728409 365129896 /nfs/dbraw/zinc/12/98/96/365129896.db2.gz NSSZWCQAZDWTBI-CABCVRRESA-N 1 0 242.451 3.520 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000574728416 365129592 /nfs/dbraw/zinc/12/95/92/365129592.db2.gz NSSZWCQAZDWTBI-GJZGRUSLSA-N 1 0 242.451 3.520 20 0 BHADRO CC1(C[N@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000574742016 365132217 /nfs/dbraw/zinc/13/22/17/365132217.db2.gz QIIPMJSIBXLKRL-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO FCCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000574743299 365132448 /nfs/dbraw/zinc/13/24/48/365132448.db2.gz HHYIGYCSBAVNTD-HNNXBMFYSA-N 1 0 235.346 3.867 20 0 BHADRO FCCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000574743300 365132655 /nfs/dbraw/zinc/13/26/55/365132655.db2.gz HHYIGYCSBAVNTD-OAHLLOKOSA-N 1 0 235.346 3.867 20 0 BHADRO Cc1ccncc1C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000574772508 365143263 /nfs/dbraw/zinc/14/32/63/365143263.db2.gz NPHAYADHNAOGEO-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000574772738 365143306 /nfs/dbraw/zinc/14/33/06/365143306.db2.gz CXPNULAYRMOCQO-CYBMUJFWSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000574772739 365143333 /nfs/dbraw/zinc/14/33/33/365143333.db2.gz CXPNULAYRMOCQO-ZDUSSCGKSA-N 1 0 246.398 3.744 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1(C(C)C)CC1)CC2 ZINC000574776442 365143484 /nfs/dbraw/zinc/14/34/84/365143484.db2.gz WNKZMYUBZJLHOH-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]C1(C(C)C)CC1)CC2 ZINC000574776443 365142652 /nfs/dbraw/zinc/14/26/52/365142652.db2.gz WNKZMYUBZJLHOH-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cn1 ZINC000574794389 365145629 /nfs/dbraw/zinc/14/56/29/365145629.db2.gz VWBVHLWUJREQAI-GXTWGEPZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)cn1 ZINC000574794392 365145338 /nfs/dbraw/zinc/14/53/38/365145338.db2.gz VWBVHLWUJREQAI-JSGCOSHPSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)cn1 ZINC000574794394 365146188 /nfs/dbraw/zinc/14/61/88/365146188.db2.gz VWBVHLWUJREQAI-OCCSQVGLSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cn1 ZINC000574794395 365145918 /nfs/dbraw/zinc/14/59/18/365145918.db2.gz VWBVHLWUJREQAI-TZMCWYRMSA-N 1 0 249.402 3.693 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000574801819 365145771 /nfs/dbraw/zinc/14/57/71/365145771.db2.gz OBKKSXLLOQZEEK-KFWWJZLASA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000574801820 365145990 /nfs/dbraw/zinc/14/59/90/365145990.db2.gz OBKKSXLLOQZEEK-RBSFLKMASA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000574801821 365145764 /nfs/dbraw/zinc/14/57/64/365145764.db2.gz OBKKSXLLOQZEEK-RRFJBIMHSA-N 1 0 241.419 3.772 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000574801823 365145739 /nfs/dbraw/zinc/14/57/39/365145739.db2.gz OBKKSXLLOQZEEK-ZNMIVQPWSA-N 1 0 241.419 3.772 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C(C)(C)c1ccccc1 ZINC000574828201 365154825 /nfs/dbraw/zinc/15/48/25/365154825.db2.gz MDEMMDYZSRZNNR-AEGPPILISA-N 1 0 249.373 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C(C)(C)c1ccccc1 ZINC000574828202 365154920 /nfs/dbraw/zinc/15/49/20/365154920.db2.gz MDEMMDYZSRZNNR-VHDGCEQUSA-N 1 0 249.373 3.833 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000574828234 365155677 /nfs/dbraw/zinc/15/56/77/365155677.db2.gz NPGYTZQBVCNASL-KFWWJZLASA-N 1 0 235.346 3.926 20 0 BHADRO CC[C@@H](C[NH2+]C1CC(CC)C1)c1ccccc1 ZINC000574829322 365155435 /nfs/dbraw/zinc/15/54/35/365155435.db2.gz OHCNTKWYXACCCS-BBBYJDLNSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C[NH2+]C1CC(CC)C1)c1ccccc1 ZINC000574829323 365155080 /nfs/dbraw/zinc/15/50/80/365155080.db2.gz OHCNTKWYXACCCS-NPCAHTBFSA-N 1 0 231.383 3.958 20 0 BHADRO CC[N@H+](CCC(C)(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000574846067 365159185 /nfs/dbraw/zinc/15/91/85/365159185.db2.gz FAVQDDCVHRGZAE-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCC(C)(C)C)[C@H]1CCOC(C)(C)C1 ZINC000574846068 365159025 /nfs/dbraw/zinc/15/90/25/365159025.db2.gz FAVQDDCVHRGZAE-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000574847805 365158865 /nfs/dbraw/zinc/15/88/65/365158865.db2.gz LAUTUPLNQKMLOJ-AWEZNQCLSA-N 1 0 248.414 3.836 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000574847811 365158326 /nfs/dbraw/zinc/15/83/26/365158326.db2.gz LAUTUPLNQKMLOJ-CQSZACIVSA-N 1 0 248.414 3.836 20 0 BHADRO C[C@H](C[N@@H+]1Cc2cccnc2C1)C1CCCCC1 ZINC000574871843 365163972 /nfs/dbraw/zinc/16/39/72/365163972.db2.gz UQSNKBPZBLSKSR-CYBMUJFWSA-N 1 0 244.382 3.614 20 0 BHADRO C[C@@H](C[N@@H+]1Cc2cccnc2C1)C1CCCCC1 ZINC000574871849 365163630 /nfs/dbraw/zinc/16/36/30/365163630.db2.gz UQSNKBPZBLSKSR-ZDUSSCGKSA-N 1 0 244.382 3.614 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C)(C)C)cc2cccnc12 ZINC000574877637 365166129 /nfs/dbraw/zinc/16/61/29/365166129.db2.gz OMAHDKBTGDPIKP-UHFFFAOYSA-N 1 0 242.366 3.774 20 0 BHADRO CC(C)OCc1ccccc1C[NH2+]CC1(C)CC1 ZINC000574893041 345423236 /nfs/dbraw/zinc/42/32/36/345423236.db2.gz MCCUTISEXIDVMM-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC2CCC1CC2 ZINC000574931190 346418025 /nfs/dbraw/zinc/41/80/25/346418025.db2.gz FVVMYJIQMGTBSC-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC2CCC1CC2 ZINC000574931191 346417901 /nfs/dbraw/zinc/41/79/01/346417901.db2.gz FVVMYJIQMGTBSC-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC2CCC1CC2 ZINC000574931192 346417893 /nfs/dbraw/zinc/41/78/93/346417893.db2.gz FVVMYJIQMGTBSC-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC2CCC1CC2 ZINC000574931193 346417876 /nfs/dbraw/zinc/41/78/76/346417876.db2.gz FVVMYJIQMGTBSC-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000574940307 346420769 /nfs/dbraw/zinc/42/07/69/346420769.db2.gz DBRBJUWEQXOERQ-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO CC[C@H](C[NH2+][C@@H](c1ccccc1C)C(C)C)OC ZINC000574946674 346425338 /nfs/dbraw/zinc/42/53/38/346425338.db2.gz STEJYYFUOLCVTI-GDBMZVCRSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](c1ccccc1C)C(C)C)OC ZINC000574946675 346425337 /nfs/dbraw/zinc/42/53/37/346425337.db2.gz STEJYYFUOLCVTI-GOEBONIOSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@@H](C[NH2+][C@H](c1ccccc1C)C(C)C)OC ZINC000574946676 346425348 /nfs/dbraw/zinc/42/53/48/346425348.db2.gz STEJYYFUOLCVTI-HOCLYGCPSA-N 1 0 249.398 3.707 20 0 BHADRO CC[C@H](C[NH2+][C@H](c1ccccc1C)C(C)C)OC ZINC000574946677 346425991 /nfs/dbraw/zinc/42/59/91/346425991.db2.gz STEJYYFUOLCVTI-ZBFHGGJFSA-N 1 0 249.398 3.707 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+]CCC(C)(C)C ZINC000574948694 346426028 /nfs/dbraw/zinc/42/60/28/346426028.db2.gz NBZXGIJTNPLAIQ-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO CC(C)COc1ccccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000574951293 346430285 /nfs/dbraw/zinc/43/02/85/346430285.db2.gz RYJVPECKUHNUFC-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1ccccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000574951294 346430407 /nfs/dbraw/zinc/43/04/07/346430407.db2.gz RYJVPECKUHNUFC-OKILXGFUSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1ccccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000574951295 346430277 /nfs/dbraw/zinc/43/02/77/346430277.db2.gz RYJVPECKUHNUFC-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+]C1CCCCC1 ZINC000574964998 346473530 /nfs/dbraw/zinc/47/35/30/346473530.db2.gz YIEPDHUXZCXNFA-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(F)c1 ZINC000574977995 346480104 /nfs/dbraw/zinc/48/01/04/346480104.db2.gz PJXVVEKZCJBRNC-DOMZBBRYSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(F)c1 ZINC000574977996 346480299 /nfs/dbraw/zinc/48/02/99/346480299.db2.gz PJXVVEKZCJBRNC-IUODEOHRSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(F)c1 ZINC000574977997 346480339 /nfs/dbraw/zinc/48/03/39/346480339.db2.gz PJXVVEKZCJBRNC-SWLSCSKDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(F)c1 ZINC000574977998 346480439 /nfs/dbraw/zinc/48/04/39/346480439.db2.gz PJXVVEKZCJBRNC-WFASDCNBSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000574979173 346482847 /nfs/dbraw/zinc/48/28/47/346482847.db2.gz YNLVWJVQUDBECU-CABCVRRESA-N 1 0 235.346 3.790 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000574979174 346483068 /nfs/dbraw/zinc/48/30/68/346483068.db2.gz YNLVWJVQUDBECU-GJZGRUSLSA-N 1 0 235.346 3.790 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000574979175 346483142 /nfs/dbraw/zinc/48/31/42/346483142.db2.gz YNLVWJVQUDBECU-HUUCEWRRSA-N 1 0 235.346 3.790 20 0 BHADRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000574979176 346482885 /nfs/dbraw/zinc/48/28/85/346482885.db2.gz YNLVWJVQUDBECU-LSDHHAIUSA-N 1 0 235.346 3.790 20 0 BHADRO CCc1ccccc1CC[N@H+](C)[C@H](C)C1CC1 ZINC000574990863 359530368 /nfs/dbraw/zinc/53/03/68/359530368.db2.gz BBZOTEZXFOHYBH-CYBMUJFWSA-N 1 0 231.383 3.522 20 0 BHADRO CCc1ccccc1CC[N@H+](C)[C@@H](C)C1CC1 ZINC000574990864 359530836 /nfs/dbraw/zinc/53/08/36/359530836.db2.gz BBZOTEZXFOHYBH-ZDUSSCGKSA-N 1 0 231.383 3.522 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@H]1CCCC12CC2 ZINC000575003417 361294694 /nfs/dbraw/zinc/29/46/94/361294694.db2.gz MWCHPZIYUPTEIW-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1oc2ccccc2c1C[NH2+][C@@H]1CCCC12CC2 ZINC000575003418 361294469 /nfs/dbraw/zinc/29/44/69/361294469.db2.gz MWCHPZIYUPTEIW-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000575006310 361309245 /nfs/dbraw/zinc/30/92/45/361309245.db2.gz VGCDCJVLXVHZET-LLVKDONJSA-N 1 0 241.325 3.934 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000575006311 361309001 /nfs/dbraw/zinc/30/90/01/361309001.db2.gz VGCDCJVLXVHZET-NSHDSACASA-N 1 0 241.325 3.934 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000575010417 364727998 /nfs/dbraw/zinc/72/79/98/364727998.db2.gz PKIXEQVSAHQHRH-NEPJUHHUSA-N 1 0 245.370 3.648 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000575010418 364727849 /nfs/dbraw/zinc/72/78/49/364727849.db2.gz PKIXEQVSAHQHRH-NWDGAFQWSA-N 1 0 245.370 3.648 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000575010419 364727798 /nfs/dbraw/zinc/72/77/98/364727798.db2.gz PKIXEQVSAHQHRH-RYUDHWBXSA-N 1 0 245.370 3.648 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000575010420 364727957 /nfs/dbraw/zinc/72/79/57/364727957.db2.gz PKIXEQVSAHQHRH-VXGBXAGGSA-N 1 0 245.370 3.648 20 0 BHADRO C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000575013605 364770548 /nfs/dbraw/zinc/77/05/48/364770548.db2.gz WCBXFRFNKHQMPL-AKSVOJBYSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@H]2CCC[C@H]2C1 ZINC000575013606 364770614 /nfs/dbraw/zinc/77/06/14/364770614.db2.gz WCBXFRFNKHQMPL-DZQJYWQESA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000575013607 364770274 /nfs/dbraw/zinc/77/02/74/364770274.db2.gz WCBXFRFNKHQMPL-NZBFACKJSA-N 1 0 233.399 3.733 20 0 BHADRO C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000575013608 364770132 /nfs/dbraw/zinc/77/01/32/364770132.db2.gz WCBXFRFNKHQMPL-YMILTQATSA-N 1 0 233.399 3.733 20 0 BHADRO CC1=CC[C@H]([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000575014580 346417879 /nfs/dbraw/zinc/41/78/79/346417879.db2.gz FNJZYPHOPINMEP-CPCZMJQVSA-N 1 0 243.341 3.899 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000575014581 346418002 /nfs/dbraw/zinc/41/80/02/346418002.db2.gz FNJZYPHOPINMEP-OTTFEQOBSA-N 1 0 243.341 3.899 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cnccn1 ZINC000575014831 346433072 /nfs/dbraw/zinc/43/30/72/346433072.db2.gz FLNWSOPGLKMCRS-AWEZNQCLSA-N 1 0 249.402 3.657 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cnccn1 ZINC000575014832 346433029 /nfs/dbraw/zinc/43/30/29/346433029.db2.gz FLNWSOPGLKMCRS-CQSZACIVSA-N 1 0 249.402 3.657 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)Cc1ccccc1 ZINC000575027015 365173022 /nfs/dbraw/zinc/17/30/22/365173022.db2.gz LWRYRTDNTCFCCY-DZGCQCFKSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)Cc1ccccc1 ZINC000575027016 365172913 /nfs/dbraw/zinc/17/29/13/365172913.db2.gz LWRYRTDNTCFCCY-HIFRSBDPSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)Cc1ccccc1 ZINC000575027017 365172896 /nfs/dbraw/zinc/17/28/96/365172896.db2.gz LWRYRTDNTCFCCY-UKRRQHHQSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)Cc1ccccc1 ZINC000575027018 365172679 /nfs/dbraw/zinc/17/26/79/365172679.db2.gz LWRYRTDNTCFCCY-ZFWWWQNUSA-N 1 0 231.383 3.643 20 0 BHADRO CCC[N@H+](CCc1ccccn1)CC(CC)CC ZINC000575028057 365172579 /nfs/dbraw/zinc/17/25/79/365172579.db2.gz PQXVHPOXBBQBLL-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000575054571 365181119 /nfs/dbraw/zinc/18/11/19/365181119.db2.gz VGIKJRPYGAYCLF-KKUMJFAQSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000575054572 365180841 /nfs/dbraw/zinc/18/08/41/365180841.db2.gz VGIKJRPYGAYCLF-ZNMIVQPWSA-N 1 0 219.372 3.511 20 0 BHADRO COc1ccc(Cl)cc1C[N@H+](C)C(C)(C)C ZINC000575057275 365180447 /nfs/dbraw/zinc/18/04/47/365180447.db2.gz NOMVZZLPEGBHBT-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000575072970 365188824 /nfs/dbraw/zinc/18/88/24/365188824.db2.gz MRLXTELEXCATQH-BLLLJJGKSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000575072971 365189282 /nfs/dbraw/zinc/18/92/82/365189282.db2.gz MRLXTELEXCATQH-LRDDRELGSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000575072972 365189304 /nfs/dbraw/zinc/18/93/04/365189304.db2.gz MRLXTELEXCATQH-MLGOLLRUSA-N 1 0 246.398 3.528 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000575072973 365188695 /nfs/dbraw/zinc/18/86/95/365188695.db2.gz MRLXTELEXCATQH-WBMJQRKESA-N 1 0 246.398 3.528 20 0 BHADRO COc1ccc(Cl)c(C[N@H+](C)C(C)(C)C)c1 ZINC000575120605 365209388 /nfs/dbraw/zinc/20/93/88/365209388.db2.gz ANIQQRJRIZKMOG-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO C1=C(CCSCC2CC[NH2+]CC2)CCCC1 ZINC000575120919 365209691 /nfs/dbraw/zinc/20/96/91/365209691.db2.gz RMQULQYKZDHNBH-UHFFFAOYSA-N 1 0 239.428 3.610 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000575123017 365210841 /nfs/dbraw/zinc/21/08/41/365210841.db2.gz PWAJHGZTAHISND-CHWSQXEVSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000575123018 365211072 /nfs/dbraw/zinc/21/10/72/365211072.db2.gz PWAJHGZTAHISND-OLZOCXBDSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000575123019 365211370 /nfs/dbraw/zinc/21/13/70/365211370.db2.gz PWAJHGZTAHISND-QWHCGFSZSA-N 1 0 241.737 3.710 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000575123020 365211133 /nfs/dbraw/zinc/21/11/33/365211133.db2.gz PWAJHGZTAHISND-STQMWFEESA-N 1 0 241.737 3.710 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000575123939 365212515 /nfs/dbraw/zinc/21/25/15/365212515.db2.gz FDSULGMZEDUSCD-BPLDGKMQSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000575123940 365212300 /nfs/dbraw/zinc/21/23/00/365212300.db2.gz FDSULGMZEDUSCD-SNPRPXQTSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000575123941 365212343 /nfs/dbraw/zinc/21/23/43/365212343.db2.gz FDSULGMZEDUSCD-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000575123942 365212225 /nfs/dbraw/zinc/21/22/25/365212225.db2.gz FDSULGMZEDUSCD-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]CCCC(C)(C)C ZINC000575130453 365212679 /nfs/dbraw/zinc/21/26/79/365212679.db2.gz GGMJUJTZEHDSNX-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]CCCC(C)(C)C ZINC000575130454 365212798 /nfs/dbraw/zinc/21/27/98/365212798.db2.gz GGMJUJTZEHDSNX-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1F ZINC000575196598 365238424 /nfs/dbraw/zinc/23/84/24/365238424.db2.gz RBIOLMQCUSQAAP-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1F ZINC000575196599 365238224 /nfs/dbraw/zinc/23/82/24/365238224.db2.gz RBIOLMQCUSQAAP-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000575202805 350749050 /nfs/dbraw/zinc/74/90/50/350749050.db2.gz ATGRIBNOYGLMFW-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccccc1CCC[N@@H+](C)[C@H](C)C1CC1 ZINC000575202811 350748826 /nfs/dbraw/zinc/74/88/26/350748826.db2.gz ATGRIBNOYGLMFW-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000575234352 365259812 /nfs/dbraw/zinc/25/98/12/365259812.db2.gz TWYZHAFDBRLBMY-GFCCVEGCSA-N 1 0 237.362 3.822 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000575234353 365259943 /nfs/dbraw/zinc/25/99/43/365259943.db2.gz TWYZHAFDBRLBMY-LBPRGKRZSA-N 1 0 237.362 3.822 20 0 BHADRO CC1(C[N@H+](C2CC2)C2CCCC2)CCC1 ZINC000575241594 365268019 /nfs/dbraw/zinc/26/80/19/365268019.db2.gz IGCQEDJPIANBIG-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO CCC[N@H+](Cc1ccnn1C1CCCC1)C(C)C ZINC000575331322 365294086 /nfs/dbraw/zinc/29/40/86/365294086.db2.gz REGILWDKZJKGKH-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@H](C[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000575357031 365301491 /nfs/dbraw/zinc/30/14/91/365301491.db2.gz ZMPATHAHMPKMQZ-CYBMUJFWSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H](C[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000575357035 365301820 /nfs/dbraw/zinc/30/18/20/365301820.db2.gz ZMPATHAHMPKMQZ-ZDUSSCGKSA-N 1 0 243.394 3.911 20 0 BHADRO CCc1ccc(C[N@@H+](CC)C(CC)CC)cn1 ZINC000575366616 365302168 /nfs/dbraw/zinc/30/21/68/365302168.db2.gz FYJYEXDBDCFRSQ-UHFFFAOYSA-N 1 0 234.387 3.655 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000575398284 365308453 /nfs/dbraw/zinc/30/84/53/365308453.db2.gz FURJLQYDQXAAFK-GDBMZVCRSA-N 1 0 247.382 3.555 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000575398285 365308312 /nfs/dbraw/zinc/30/83/12/365308312.db2.gz FURJLQYDQXAAFK-GOEBONIOSA-N 1 0 247.382 3.555 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1CCC1 ZINC000575400522 365310375 /nfs/dbraw/zinc/31/03/75/365310375.db2.gz HJDXZFQRESECSC-IHRRRGAJSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1CCC1 ZINC000575400523 365309612 /nfs/dbraw/zinc/30/96/12/365309612.db2.gz HJDXZFQRESECSC-MCIONIFRSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1CCC1 ZINC000575400524 365310341 /nfs/dbraw/zinc/31/03/41/365310341.db2.gz HJDXZFQRESECSC-MJBXVCDLSA-N 1 0 227.367 3.826 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1CCC1 ZINC000575400525 365309948 /nfs/dbraw/zinc/30/99/48/365309948.db2.gz HJDXZFQRESECSC-RDBSUJKOSA-N 1 0 227.367 3.826 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000575430206 365318728 /nfs/dbraw/zinc/31/87/28/365318728.db2.gz SXTDWFMBYWZWRR-UKRRQHHQSA-N 1 0 246.329 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000575437148 365321274 /nfs/dbraw/zinc/32/12/74/365321274.db2.gz YRVVUEKKGTUDNL-HNNXBMFYSA-N 1 0 247.382 3.795 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000575437149 365321180 /nfs/dbraw/zinc/32/11/80/365321180.db2.gz YRVVUEKKGTUDNL-OAHLLOKOSA-N 1 0 247.382 3.795 20 0 BHADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC1(C)CC1 ZINC000575733979 365345076 /nfs/dbraw/zinc/34/50/76/365345076.db2.gz FSENZOOMQVEXMZ-GXTWGEPZSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC1(C)CC1 ZINC000575733987 365345400 /nfs/dbraw/zinc/34/54/00/365345400.db2.gz FSENZOOMQVEXMZ-JSGCOSHPSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC1(C)CC1 ZINC000575733989 365345215 /nfs/dbraw/zinc/34/52/15/365345215.db2.gz FSENZOOMQVEXMZ-OCCSQVGLSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC1(C)CC1 ZINC000575733990 365345328 /nfs/dbraw/zinc/34/53/28/365345328.db2.gz FSENZOOMQVEXMZ-TZMCWYRMSA-N 1 0 247.357 3.804 20 0 BHADRO FCC1([NH2+]Cc2cccc3ccccc32)CCC1 ZINC000575748404 365350582 /nfs/dbraw/zinc/35/05/82/365350582.db2.gz KKINPTQGWAMATC-UHFFFAOYSA-N 1 0 243.325 3.822 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C12CCC(CC1)CC2 ZINC000575748674 350913874 /nfs/dbraw/zinc/91/38/74/350913874.db2.gz UBCRVBFVPQEUOE-DNOWBOINSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C12CCC(CC1)CC2 ZINC000575748684 350914029 /nfs/dbraw/zinc/91/40/29/350914029.db2.gz UBCRVBFVPQEUOE-OPFPJEHXSA-N 1 0 249.423 3.992 20 0 BHADRO CCCc1csc(C[N@@H+](CCC)C(C)C)n1 ZINC000575762601 365358276 /nfs/dbraw/zinc/35/82/76/365358276.db2.gz ZEYSOVYLMGFOLZ-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO C[N@H+](CCc1ccccc1F)Cc1cccs1 ZINC000575775984 365360929 /nfs/dbraw/zinc/36/09/29/365360929.db2.gz SYNREEGBRYXBRI-UHFFFAOYSA-N 1 0 249.354 3.562 20 0 BHADRO COc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1C ZINC000575787950 365361455 /nfs/dbraw/zinc/36/14/55/365361455.db2.gz XRZYLGSMCYPFNT-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1C ZINC000575787954 365361791 /nfs/dbraw/zinc/36/17/91/365361791.db2.gz XRZYLGSMCYPFNT-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO c1cncc([C@@H]([NH2+]CCCC2CC2)C2CCC2)c1 ZINC000575803128 365367588 /nfs/dbraw/zinc/36/75/88/365367588.db2.gz BMXJQCYMJWKYFO-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cncc([C@H]([NH2+]CCCC2CC2)C2CCC2)c1 ZINC000575803129 365368203 /nfs/dbraw/zinc/36/82/03/365368203.db2.gz BMXJQCYMJWKYFO-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccsc1 ZINC000575835416 365377941 /nfs/dbraw/zinc/37/79/41/365377941.db2.gz VOMJIAYRWSAVSP-GFCCVEGCSA-N 1 0 221.369 3.731 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccsc1 ZINC000575835417 365377903 /nfs/dbraw/zinc/37/79/03/365377903.db2.gz VOMJIAYRWSAVSP-LBPRGKRZSA-N 1 0 221.369 3.731 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000575860749 365389121 /nfs/dbraw/zinc/38/91/21/365389121.db2.gz URHWLZFNBXSPIG-DDIVZENXSA-N 1 0 247.769 3.715 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000575860751 365388677 /nfs/dbraw/zinc/38/86/77/365388677.db2.gz URHWLZFNBXSPIG-JNIYBQFBSA-N 1 0 247.769 3.715 20 0 BHADRO Cc1ccc2cc(C[N@@H+]3CCC3(C)C)ccc2n1 ZINC000575862352 365389282 /nfs/dbraw/zinc/38/92/82/365389282.db2.gz QYDQVWGRFIYLHP-UHFFFAOYSA-N 1 0 240.350 3.528 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000575867590 365394865 /nfs/dbraw/zinc/39/48/65/365394865.db2.gz BXKZGUQQLMPXMJ-GFCCVEGCSA-N 1 0 247.338 3.691 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000575867591 365394686 /nfs/dbraw/zinc/39/46/86/365394686.db2.gz BXKZGUQQLMPXMJ-LBPRGKRZSA-N 1 0 247.338 3.691 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000575888695 365406924 /nfs/dbraw/zinc/40/69/24/365406924.db2.gz HCNNWFUKNYMCFW-HNNXBMFYSA-N 1 0 243.394 3.788 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000575888696 365406128 /nfs/dbraw/zinc/40/61/28/365406128.db2.gz HCNNWFUKNYMCFW-OAHLLOKOSA-N 1 0 243.394 3.788 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(OC)ccc1F ZINC000575895450 388474278 /nfs/dbraw/zinc/47/42/78/388474278.db2.gz KUDISZNURMFNJV-UHFFFAOYSA-N 1 0 239.334 3.503 20 0 BHADRO CCC[N@H+](CC)Cc1ccc(SC)s1 ZINC000575913633 365410600 /nfs/dbraw/zinc/41/06/00/365410600.db2.gz BRIBUAPXVVHRIZ-UHFFFAOYSA-N 1 0 229.414 3.702 20 0 BHADRO CC[N@H+](CC1(OC)CCCCC1)C1CCCC1 ZINC000575939413 365422196 /nfs/dbraw/zinc/42/21/96/365422196.db2.gz CVTQUEHDJZFQKN-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO FCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000575965437 365426107 /nfs/dbraw/zinc/42/61/07/365426107.db2.gz RINWZLBTYJJNEB-UHFFFAOYSA-N 1 0 235.346 3.793 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@@H]2CCCC[C@@H]12 ZINC000575984621 365435405 /nfs/dbraw/zinc/43/54/05/365435405.db2.gz DFGHUGMLHHGHCL-HZSPNIEDSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@H]2CCCC[C@H]12 ZINC000575984625 365435472 /nfs/dbraw/zinc/43/54/72/365435472.db2.gz DFGHUGMLHHGHCL-MCIONIFRSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@@H]2CCCC[C@H]12 ZINC000575984626 365435592 /nfs/dbraw/zinc/43/55/92/365435592.db2.gz DFGHUGMLHHGHCL-MGPQQGTHSA-N 1 0 227.367 3.637 20 0 BHADRO C[C@@H]1CC[N@H+](CCCCF)[C@H]2CCCC[C@@H]12 ZINC000575984627 365436171 /nfs/dbraw/zinc/43/61/71/365436171.db2.gz DFGHUGMLHHGHCL-RDBSUJKOSA-N 1 0 227.367 3.637 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000575985803 365435527 /nfs/dbraw/zinc/43/55/27/365435527.db2.gz QAMDVVSLPBGDOG-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000575985804 365436305 /nfs/dbraw/zinc/43/63/05/365436305.db2.gz QAMDVVSLPBGDOG-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)n1 ZINC000575985805 365436531 /nfs/dbraw/zinc/43/65/31/365436531.db2.gz QAMDVVSLPBGDOG-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)n1 ZINC000575985806 365435721 /nfs/dbraw/zinc/43/57/21/365435721.db2.gz QAMDVVSLPBGDOG-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CC[N@@H+](Cc1ccc(C(C)C)cc1)C[C@H](C)OC ZINC000576019088 365451916 /nfs/dbraw/zinc/45/19/16/365451916.db2.gz RCPZIQKADVTFMV-AWEZNQCLSA-N 1 0 249.398 3.667 20 0 BHADRO CC[N@@H+](Cc1ccc(C(C)C)cc1)C[C@@H](C)OC ZINC000576019089 365452455 /nfs/dbraw/zinc/45/24/55/365452455.db2.gz RCPZIQKADVTFMV-CQSZACIVSA-N 1 0 249.398 3.667 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000576029617 365455947 /nfs/dbraw/zinc/45/59/47/365455947.db2.gz UBYKBNDPZLXOAY-DOMZBBRYSA-N 1 0 249.402 3.535 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000576029618 365455172 /nfs/dbraw/zinc/45/51/72/365455172.db2.gz UBYKBNDPZLXOAY-IUODEOHRSA-N 1 0 249.402 3.535 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000576029619 365455599 /nfs/dbraw/zinc/45/55/99/365455599.db2.gz UBYKBNDPZLXOAY-SWLSCSKDSA-N 1 0 249.402 3.535 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000576029620 365455937 /nfs/dbraw/zinc/45/59/37/365455937.db2.gz UBYKBNDPZLXOAY-WFASDCNBSA-N 1 0 249.402 3.535 20 0 BHADRO Fc1cccc([C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000576050090 365463924 /nfs/dbraw/zinc/46/39/24/365463924.db2.gz ZFMOCYCUOXODBN-HNNXBMFYSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1cccc([C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000576050091 365464259 /nfs/dbraw/zinc/46/42/59/365464259.db2.gz ZFMOCYCUOXODBN-OAHLLOKOSA-N 1 0 247.357 3.805 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCOc1ccc(C)cc1 ZINC000576062429 365470736 /nfs/dbraw/zinc/47/07/36/365470736.db2.gz OMZHWXULTNMACE-GDBMZVCRSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCOc1ccc(C)cc1 ZINC000576062430 365470449 /nfs/dbraw/zinc/47/04/49/365470449.db2.gz OMZHWXULTNMACE-GOEBONIOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCOc1ccc(C)cc1 ZINC000576062431 365470161 /nfs/dbraw/zinc/47/01/61/365470161.db2.gz OMZHWXULTNMACE-HOCLYGCPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCOc1ccc(C)cc1 ZINC000576062432 365470359 /nfs/dbraw/zinc/47/03/59/365470359.db2.gz OMZHWXULTNMACE-ZBFHGGJFSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCC2(F)CCC2)c1 ZINC000576068813 365472938 /nfs/dbraw/zinc/47/29/38/365472938.db2.gz SVYLGSHVOXWAQG-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCCOC(C)C ZINC000576081061 365476123 /nfs/dbraw/zinc/47/61/23/365476123.db2.gz FZXINYBKVSGQSG-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCCOC(C)C ZINC000576081062 365476114 /nfs/dbraw/zinc/47/61/14/365476114.db2.gz FZXINYBKVSGQSG-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO Cc1cnccc1C[NH2+]CC1(CC(C)C)CCC1 ZINC000576103092 365486900 /nfs/dbraw/zinc/48/69/00/365486900.db2.gz ZOBZOXZLTIHRMZ-UHFFFAOYSA-N 1 0 246.398 3.696 20 0 BHADRO CCOc1cccc(C[N@H+](CC)C2CCCC2)c1 ZINC000576128752 365495523 /nfs/dbraw/zinc/49/55/23/365495523.db2.gz XMNPCZJBPCFJGY-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000576159333 365504458 /nfs/dbraw/zinc/50/44/58/365504458.db2.gz VVCJSYJJHTYJNU-FPMFFAJLSA-N 1 0 221.319 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000576159334 365504450 /nfs/dbraw/zinc/50/44/50/365504450.db2.gz VVCJSYJJHTYJNU-IACUBPJLSA-N 1 0 221.319 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000576159335 365504676 /nfs/dbraw/zinc/50/46/76/365504676.db2.gz VVCJSYJJHTYJNU-UBHSHLNASA-N 1 0 221.319 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000576159336 365504666 /nfs/dbraw/zinc/50/46/66/365504666.db2.gz VVCJSYJJHTYJNU-YUTCNCBUSA-N 1 0 221.319 3.618 20 0 BHADRO CCCOC1(C[NH2+][C@@H](C)C(C)C)CCCCC1 ZINC000576195144 365516805 /nfs/dbraw/zinc/51/68/05/365516805.db2.gz YYDMSCGSOMKRSX-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CCCOC1(C[NH2+][C@H](C)C(C)C)CCCCC1 ZINC000576195145 365516604 /nfs/dbraw/zinc/51/66/04/365516604.db2.gz YYDMSCGSOMKRSX-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](CC2CC2)C(C)C)c1 ZINC000576226247 365528388 /nfs/dbraw/zinc/52/83/88/365528388.db2.gz FQZIPMCQVLPFFQ-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@@H+](Cc1ccc(SC)s1)CC(C)C ZINC000576273344 365545207 /nfs/dbraw/zinc/54/52/07/365545207.db2.gz QYPQJOLOZRAXKE-UHFFFAOYSA-N 1 0 243.441 3.948 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCc1cccc(C)n1 ZINC000576275676 365546453 /nfs/dbraw/zinc/54/64/53/365546453.db2.gz JDQFRARIVNVVIU-INIZCTEOSA-N 1 0 246.398 3.587 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCc1cccc(C)n1 ZINC000576275677 365546477 /nfs/dbraw/zinc/54/64/77/365546477.db2.gz JDQFRARIVNVVIU-MRXNPFEDSA-N 1 0 246.398 3.587 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2(CF)CCC2)C[C@@H]1c1ccccc1 ZINC000576280701 365549283 /nfs/dbraw/zinc/54/92/83/365549283.db2.gz JFAFNDYRFMYZEO-AEGPPILISA-N 1 0 247.357 3.660 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1(CF)CCC1 ZINC000576280702 365549598 /nfs/dbraw/zinc/54/95/98/365549598.db2.gz JFAFNDYRFMYZEO-CFVMTHIKSA-N 1 0 247.357 3.660 20 0 BHADRO C[C@@H]1[C@H]([NH2+]C2(CF)CCC2)C[C@H]1c1ccccc1 ZINC000576280703 365549823 /nfs/dbraw/zinc/54/98/23/365549823.db2.gz JFAFNDYRFMYZEO-NWANDNLSSA-N 1 0 247.357 3.660 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]C2(CF)CCC2)C[C@@H]1c1ccccc1 ZINC000576280704 365549800 /nfs/dbraw/zinc/54/98/00/365549800.db2.gz JFAFNDYRFMYZEO-QEJZJMRPSA-N 1 0 247.357 3.660 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000576297136 365557840 /nfs/dbraw/zinc/55/78/40/365557840.db2.gz QWHNWODJHHIAKK-GHMZBOCLSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000576297137 365558722 /nfs/dbraw/zinc/55/87/22/365558722.db2.gz QWHNWODJHHIAKK-MNOVXSKESA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C1([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000576297138 365558386 /nfs/dbraw/zinc/55/83/86/365558386.db2.gz QWHNWODJHHIAKK-QWRGUYRKSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C1([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000576297139 365557916 /nfs/dbraw/zinc/55/79/16/365557916.db2.gz QWHNWODJHHIAKK-WDEREUQCSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccncc1C)C1CC1 ZINC000576307906 365561582 /nfs/dbraw/zinc/56/15/82/365561582.db2.gz FMJKIWIWCFGZNU-GXTWGEPZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccncc1C)C1CC1 ZINC000576307907 365561601 /nfs/dbraw/zinc/56/16/01/365561601.db2.gz FMJKIWIWCFGZNU-JSGCOSHPSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccncc1C)C1CC1 ZINC000576307908 365561559 /nfs/dbraw/zinc/56/15/59/365561559.db2.gz FMJKIWIWCFGZNU-OCCSQVGLSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccncc1C)C1CC1 ZINC000576307909 365561616 /nfs/dbraw/zinc/56/16/16/365561616.db2.gz FMJKIWIWCFGZNU-TZMCWYRMSA-N 1 0 246.398 3.789 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C1(C)CCC1 ZINC000576308637 365561156 /nfs/dbraw/zinc/56/11/56/365561156.db2.gz FOUNIGVVQNBFMR-GFCCVEGCSA-N 1 0 243.350 3.896 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C1(C)CCC1 ZINC000576308638 365560628 /nfs/dbraw/zinc/56/06/28/365560628.db2.gz FOUNIGVVQNBFMR-LBPRGKRZSA-N 1 0 243.350 3.896 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CC(C)(C)C)o1 ZINC000576308693 365561122 /nfs/dbraw/zinc/56/11/22/365561122.db2.gz RMULKMIMGUOADP-LLVKDONJSA-N 1 0 223.360 3.545 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CC(C)(C)C)o1 ZINC000576308694 365561150 /nfs/dbraw/zinc/56/11/50/365561150.db2.gz RMULKMIMGUOADP-NSHDSACASA-N 1 0 223.360 3.545 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)c1ccon1 ZINC000576313429 365563047 /nfs/dbraw/zinc/56/30/47/365563047.db2.gz DTURIAIAORVFPP-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)c1ccon1 ZINC000576313430 365562195 /nfs/dbraw/zinc/56/21/95/365562195.db2.gz DTURIAIAORVFPP-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)Cc1ccc(O)cc1 ZINC000576314581 365562753 /nfs/dbraw/zinc/56/27/53/365562753.db2.gz ZSHWGFCUIQWHEE-CYBMUJFWSA-N 1 0 235.371 3.506 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)Cc1ccc(O)cc1 ZINC000576314582 365562314 /nfs/dbraw/zinc/56/23/14/365562314.db2.gz ZSHWGFCUIQWHEE-ZDUSSCGKSA-N 1 0 235.371 3.506 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCCCF ZINC000576334110 365567685 /nfs/dbraw/zinc/56/76/85/365567685.db2.gz CITJIBIZQNLPQT-GFCCVEGCSA-N 1 0 203.345 3.637 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCCCF ZINC000576334119 365568248 /nfs/dbraw/zinc/56/82/48/365568248.db2.gz CITJIBIZQNLPQT-LBPRGKRZSA-N 1 0 203.345 3.637 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCSC(C)C ZINC000576355951 365575628 /nfs/dbraw/zinc/57/56/28/365575628.db2.gz SLRLLLSQKXOWDA-KAMYIIQDSA-N 1 0 249.423 3.821 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCSC(C)C ZINC000576355952 365574919 /nfs/dbraw/zinc/57/49/19/365574919.db2.gz SLRLLLSQKXOWDA-SDNWHVSQSA-N 1 0 249.423 3.821 20 0 BHADRO c1ccc2cc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000576409981 365589299 /nfs/dbraw/zinc/58/92/99/365589299.db2.gz DFKKXAMYCMAOAS-BJWYYQGGSA-N 1 0 237.346 3.728 20 0 BHADRO c1ccc2cc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000576409983 365589628 /nfs/dbraw/zinc/58/96/28/365589628.db2.gz DFKKXAMYCMAOAS-FVQHAEBGSA-N 1 0 237.346 3.728 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000576419873 365592235 /nfs/dbraw/zinc/59/22/35/365592235.db2.gz YGZVWUVBPMAFQG-UHFFFAOYSA-N 1 0 242.366 3.759 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc2[nH]cnc2c1 ZINC000576432921 365593594 /nfs/dbraw/zinc/59/35/94/365593594.db2.gz GDBJDIBLJCEFOA-UHFFFAOYSA-N 1 0 245.370 3.573 20 0 BHADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCC(C)C ZINC000576433376 365593893 /nfs/dbraw/zinc/59/38/93/365593893.db2.gz OEQFACWIXVAMSJ-AWEZNQCLSA-N 1 0 249.402 3.600 20 0 BHADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCC(C)C ZINC000576433377 365593905 /nfs/dbraw/zinc/59/39/05/365593905.db2.gz OEQFACWIXVAMSJ-CQSZACIVSA-N 1 0 249.402 3.600 20 0 BHADRO C[C@@H]([N@H+](C)CC1Cc2ccccc2C1)C1(C)CC1 ZINC000576438218 365594993 /nfs/dbraw/zinc/59/49/93/365594993.db2.gz KRUXIXZHYHPBOX-CYBMUJFWSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@H]([N@H+](C)CC1Cc2ccccc2C1)C1(C)CC1 ZINC000576438219 365595062 /nfs/dbraw/zinc/59/50/62/365595062.db2.gz KRUXIXZHYHPBOX-ZDUSSCGKSA-N 1 0 243.394 3.522 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000576453572 365600400 /nfs/dbraw/zinc/60/04/00/365600400.db2.gz VEWZPQQCOOIUMT-CHWSQXEVSA-N 1 0 235.371 3.821 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000576453580 365600175 /nfs/dbraw/zinc/60/01/75/365600175.db2.gz VEWZPQQCOOIUMT-OLZOCXBDSA-N 1 0 235.371 3.821 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000576453581 365599596 /nfs/dbraw/zinc/59/95/96/365599596.db2.gz VEWZPQQCOOIUMT-QWHCGFSZSA-N 1 0 235.371 3.821 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000576453582 365598147 /nfs/dbraw/zinc/59/81/47/365598147.db2.gz VEWZPQQCOOIUMT-STQMWFEESA-N 1 0 235.371 3.821 20 0 BHADRO COCCCC[NH+]1CCC(C)(CC(C)C)CC1 ZINC000576499207 365612571 /nfs/dbraw/zinc/61/25/71/365612571.db2.gz FAJRKVLRDCMWRM-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000576504322 365612061 /nfs/dbraw/zinc/61/20/61/365612061.db2.gz VLPHWSYRGGZEMD-AATRIKPKSA-N 1 0 239.309 3.710 20 0 BHADRO CCCC[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000576504323 365611770 /nfs/dbraw/zinc/61/17/70/365611770.db2.gz VLPHWSYRGGZEMD-WAYWQWQTSA-N 1 0 239.309 3.710 20 0 BHADRO CCC[N@H+](CCCCC(F)(F)F)C(C)C ZINC000576529610 365620896 /nfs/dbraw/zinc/62/08/96/365620896.db2.gz QYVHHLPJGMQNNF-UHFFFAOYSA-N 1 0 225.298 3.839 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576532692 365620137 /nfs/dbraw/zinc/62/01/37/365620137.db2.gz WKLARNPGKDKBTF-APIJFGDWSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000576532696 365620347 /nfs/dbraw/zinc/62/03/47/365620347.db2.gz WKLARNPGKDKBTF-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000576532697 365610469 /nfs/dbraw/zinc/61/04/69/365610469.db2.gz WKLARNPGKDKBTF-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576532698 365610151 /nfs/dbraw/zinc/61/01/51/365610151.db2.gz WKLARNPGKDKBTF-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000576572227 365627298 /nfs/dbraw/zinc/62/72/98/365627298.db2.gz VIXPSYFCRCMFOX-UHFFFAOYSA-N 1 0 219.372 3.924 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000576591267 365633737 /nfs/dbraw/zinc/63/37/37/365633737.db2.gz IDUQRNCBNIVBKH-ARLBYUKCSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000576591268 365633551 /nfs/dbraw/zinc/63/35/51/365633551.db2.gz IDUQRNCBNIVBKH-HNKHHVNMSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000576591269 365633513 /nfs/dbraw/zinc/63/35/13/365633513.db2.gz IDUQRNCBNIVBKH-LCGIIJARSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000576591270 365633014 /nfs/dbraw/zinc/63/30/14/365633014.db2.gz IDUQRNCBNIVBKH-XZDPQHSOSA-N 1 0 243.394 3.957 20 0 BHADRO FC1(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000576592451 365633519 /nfs/dbraw/zinc/63/35/19/365633519.db2.gz HWNXROISAYSPPY-KBPBESRZSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000576592452 365633760 /nfs/dbraw/zinc/63/37/60/365633760.db2.gz HWNXROISAYSPPY-KGLIPLIRSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000576592454 365633869 /nfs/dbraw/zinc/63/38/69/365633869.db2.gz HWNXROISAYSPPY-UONOGXRCSA-N 1 0 239.378 3.827 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000576592455 365633613 /nfs/dbraw/zinc/63/36/13/365633613.db2.gz HWNXROISAYSPPY-ZIAGYGMSSA-N 1 0 239.378 3.827 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000576618299 365639064 /nfs/dbraw/zinc/63/90/64/365639064.db2.gz OHUWSXDLBLCTHH-KKUMJFAQSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000576618302 365639232 /nfs/dbraw/zinc/63/92/32/365639232.db2.gz OHUWSXDLBLCTHH-RRFJBIMHSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000576618304 365641165 /nfs/dbraw/zinc/64/11/65/365641165.db2.gz OHUWSXDLBLCTHH-SOUVJXGZSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000576618305 365641180 /nfs/dbraw/zinc/64/11/80/365641180.db2.gz OHUWSXDLBLCTHH-ZNMIVQPWSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000576651657 365651375 /nfs/dbraw/zinc/65/13/75/365651375.db2.gz GRBYRHXHOQIEMZ-HJWJTTGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000576651660 365650642 /nfs/dbraw/zinc/65/06/42/365650642.db2.gz GRBYRHXHOQIEMZ-LLLHUVSDSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000576651662 365651010 /nfs/dbraw/zinc/65/10/10/365651010.db2.gz GRBYRHXHOQIEMZ-XBVQOTNRSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=C(C)CC1 ZINC000576655261 365652706 /nfs/dbraw/zinc/65/27/06/365652706.db2.gz ZQHLSNOCLFTLAS-HZSPNIEDSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000576655262 365652480 /nfs/dbraw/zinc/65/24/80/365652480.db2.gz ZQHLSNOCLFTLAS-MCIONIFRSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000576655263 365652377 /nfs/dbraw/zinc/65/23/77/365652377.db2.gz ZQHLSNOCLFTLAS-MGPQQGTHSA-N 1 0 207.361 3.654 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=C(C)CC1 ZINC000576655264 365652308 /nfs/dbraw/zinc/65/23/08/365652308.db2.gz ZQHLSNOCLFTLAS-RDBSUJKOSA-N 1 0 207.361 3.654 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000576673308 365654074 /nfs/dbraw/zinc/65/40/74/365654074.db2.gz PLVGQEWDFCCGMK-GXTWGEPZSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000576673310 365655652 /nfs/dbraw/zinc/65/56/52/365655652.db2.gz PLVGQEWDFCCGMK-JSGCOSHPSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000576673311 365655587 /nfs/dbraw/zinc/65/55/87/365655587.db2.gz PLVGQEWDFCCGMK-OCCSQVGLSA-N 1 0 239.378 3.851 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000576673312 365655267 /nfs/dbraw/zinc/65/52/67/365655267.db2.gz PLVGQEWDFCCGMK-TZMCWYRMSA-N 1 0 239.378 3.851 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccoc1 ZINC000576695730 365659902 /nfs/dbraw/zinc/65/99/02/365659902.db2.gz FDWOXHVIPPVWTJ-CORIIIEPSA-N 1 0 233.355 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccoc1 ZINC000576695731 365659951 /nfs/dbraw/zinc/65/99/51/365659951.db2.gz FDWOXHVIPPVWTJ-OSAQELSMSA-N 1 0 233.355 3.899 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)c1cncnc1C ZINC000576714449 365667428 /nfs/dbraw/zinc/66/74/28/365667428.db2.gz AGXBCPQESUJZPM-KBPBESRZSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)c1cncnc1C ZINC000576714455 365667100 /nfs/dbraw/zinc/66/71/00/365667100.db2.gz AGXBCPQESUJZPM-KGLIPLIRSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1cncnc1C ZINC000576714456 365667348 /nfs/dbraw/zinc/66/73/48/365667348.db2.gz AGXBCPQESUJZPM-UONOGXRCSA-N 1 0 249.402 3.795 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)c1cncnc1C ZINC000576714457 365667287 /nfs/dbraw/zinc/66/72/87/365667287.db2.gz AGXBCPQESUJZPM-ZIAGYGMSSA-N 1 0 249.402 3.795 20 0 BHADRO CC1(C)OCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000576732031 365672495 /nfs/dbraw/zinc/67/24/95/365672495.db2.gz TZWNTPVITODMJI-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)OCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000576732032 365671443 /nfs/dbraw/zinc/67/14/43/365671443.db2.gz TZWNTPVITODMJI-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1nc2ccc(C[N@H+]3[C@H](C)C[C@@H]3C)cc2s1 ZINC000576738236 365673821 /nfs/dbraw/zinc/67/38/21/365673821.db2.gz FXEVQOMMYMFTDL-AOOOYVTPSA-N 1 0 246.379 3.587 20 0 BHADRO Cc1nc2ccc(C[NH+]3[C@H](C)C[C@H]3C)cc2s1 ZINC000576738238 365673728 /nfs/dbraw/zinc/67/37/28/365673728.db2.gz FXEVQOMMYMFTDL-NXEZZACHSA-N 1 0 246.379 3.587 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCc1ccc(C)nc1 ZINC000576749269 365674889 /nfs/dbraw/zinc/67/48/89/365674889.db2.gz FRLDVFFXCIPSRJ-HNNXBMFYSA-N 1 0 248.414 3.833 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCc1ccc(C)nc1 ZINC000576749271 365675232 /nfs/dbraw/zinc/67/52/32/365675232.db2.gz FRLDVFFXCIPSRJ-OAHLLOKOSA-N 1 0 248.414 3.833 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC1(COC)CC1 ZINC000576754899 365678183 /nfs/dbraw/zinc/67/81/83/365678183.db2.gz MMGJWKOIJROGKT-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC1(COC)CC1 ZINC000576754905 365678448 /nfs/dbraw/zinc/67/84/48/365678448.db2.gz MMGJWKOIJROGKT-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC1(COC)CC1 ZINC000576754907 365678469 /nfs/dbraw/zinc/67/84/69/365678469.db2.gz MMGJWKOIJROGKT-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC1(COC)CC1 ZINC000576754908 365677847 /nfs/dbraw/zinc/67/78/47/365677847.db2.gz MMGJWKOIJROGKT-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000576768751 365681835 /nfs/dbraw/zinc/68/18/35/365681835.db2.gz NKDYBCBUISEQRH-CHWSQXEVSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000576768755 365682004 /nfs/dbraw/zinc/68/20/04/365682004.db2.gz NKDYBCBUISEQRH-OLZOCXBDSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000576768756 365682174 /nfs/dbraw/zinc/68/21/74/365682174.db2.gz NKDYBCBUISEQRH-QWHCGFSZSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)SCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000576768758 365681930 /nfs/dbraw/zinc/68/19/30/365681930.db2.gz NKDYBCBUISEQRH-STQMWFEESA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)CCC[NH2+]CCc1cc2ccccc2[nH]1 ZINC000576770901 365682130 /nfs/dbraw/zinc/68/21/30/365682130.db2.gz ZRENOCRHVSRNKP-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000576771454 365682671 /nfs/dbraw/zinc/68/26/71/365682671.db2.gz SMLMEDBUXKSWPW-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000576771455 365682634 /nfs/dbraw/zinc/68/26/34/365682634.db2.gz SMLMEDBUXKSWPW-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc(C[N@H+](CC2CC2)C(C)(C)C)cc1 ZINC000576785331 365685633 /nfs/dbraw/zinc/68/56/33/365685633.db2.gz RXVURYJDGZNECI-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000576786294 365685672 /nfs/dbraw/zinc/68/56/72/365685672.db2.gz FRAGETZJIFGTQU-BZPMIXESSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000576786295 365685466 /nfs/dbraw/zinc/68/54/66/365685466.db2.gz FRAGETZJIFGTQU-DYEKYZERSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000576786296 365685190 /nfs/dbraw/zinc/68/51/90/365685190.db2.gz FRAGETZJIFGTQU-MBNYWOFBSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000576786297 365685110 /nfs/dbraw/zinc/68/51/10/365685110.db2.gz FRAGETZJIFGTQU-YRGRVCCFSA-N 1 0 209.377 3.543 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000576788153 365685881 /nfs/dbraw/zinc/68/58/81/365685881.db2.gz IFDLRFCKSJHGNN-MXYBEHONSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000576788154 365685805 /nfs/dbraw/zinc/68/58/05/365685805.db2.gz IFDLRFCKSJHGNN-PAPYEOQZSA-N 1 0 239.403 3.501 20 0 BHADRO CC1=C(C)C[N@H+]([C@H](C)Cc2ccsc2)CC1 ZINC000576802713 365688365 /nfs/dbraw/zinc/68/83/65/365688365.db2.gz KPIPGCORECYYLS-CYBMUJFWSA-N 1 0 235.396 3.721 20 0 BHADRO CC1=C(C)C[N@H+]([C@@H](C)Cc2ccsc2)CC1 ZINC000576802717 365688826 /nfs/dbraw/zinc/68/88/26/365688826.db2.gz KPIPGCORECYYLS-ZDUSSCGKSA-N 1 0 235.396 3.721 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000576805476 365689631 /nfs/dbraw/zinc/68/96/31/365689631.db2.gz DNYVNACUPPLRLL-DZGCQCFKSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000576805477 365690212 /nfs/dbraw/zinc/69/02/12/365690212.db2.gz DNYVNACUPPLRLL-HIFRSBDPSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000576805478 365689516 /nfs/dbraw/zinc/68/95/16/365689516.db2.gz DNYVNACUPPLRLL-UKRRQHHQSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000576805479 365689565 /nfs/dbraw/zinc/68/95/65/365689565.db2.gz DNYVNACUPPLRLL-ZFWWWQNUSA-N 1 0 247.382 3.624 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)o1 ZINC000576822267 388506724 /nfs/dbraw/zinc/50/67/24/388506724.db2.gz FGVNTNUEUWQFGR-QJPTWQEYSA-N 1 0 239.334 3.773 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)o1 ZINC000576822268 388507155 /nfs/dbraw/zinc/50/71/55/388507155.db2.gz FGVNTNUEUWQFGR-SDDRHHMPSA-N 1 0 239.334 3.773 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)o1 ZINC000576822269 365694999 /nfs/dbraw/zinc/69/49/99/365694999.db2.gz FGVNTNUEUWQFGR-SRVKXCTJSA-N 1 0 239.334 3.773 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)o1 ZINC000576822270 365694563 /nfs/dbraw/zinc/69/45/63/365694563.db2.gz FGVNTNUEUWQFGR-TUAOUCFPSA-N 1 0 239.334 3.773 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C(C)(C)C ZINC000576868052 365708981 /nfs/dbraw/zinc/70/89/81/365708981.db2.gz VOIYEYLZHONWMS-CYBMUJFWSA-N 1 0 248.414 3.692 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C(C)(C)C ZINC000576868060 365709024 /nfs/dbraw/zinc/70/90/24/365709024.db2.gz VOIYEYLZHONWMS-ZDUSSCGKSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H](C[NH2+]CC1(C)CC1)Oc1ccccc1C ZINC000576889083 365717163 /nfs/dbraw/zinc/71/71/63/365717163.db2.gz JVWOHLFRMYAJHG-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[NH2+]CC1(C)CC1)Oc1ccccc1C ZINC000576889085 365716837 /nfs/dbraw/zinc/71/68/37/365716837.db2.gz JVWOHLFRMYAJHG-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1 ZINC000576896527 365717490 /nfs/dbraw/zinc/71/74/90/365717490.db2.gz PBLYHCFPVOFIFX-LLVKDONJSA-N 1 0 239.309 3.759 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1 ZINC000576896529 365717552 /nfs/dbraw/zinc/71/75/52/365717552.db2.gz PBLYHCFPVOFIFX-NSHDSACASA-N 1 0 239.309 3.759 20 0 BHADRO CCC[N@H+](Cc1ccccc1)CC1(SC)CC1 ZINC000576907897 365719400 /nfs/dbraw/zinc/71/94/00/365719400.db2.gz JFQLJFQNALKCQV-UHFFFAOYSA-N 1 0 249.423 3.794 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CC2(C)CC2)cc1 ZINC000576922205 365721367 /nfs/dbraw/zinc/72/13/67/365721367.db2.gz RSLIXNDPJSBSAI-UHFFFAOYSA-N 1 0 231.383 3.662 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H]1CC ZINC000576968461 365737133 /nfs/dbraw/zinc/73/71/33/365737133.db2.gz UASGIUIXFQANLM-DZGCQCFKSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H]1CC[C@H]1CC ZINC000576968462 365737337 /nfs/dbraw/zinc/73/73/37/365737337.db2.gz UASGIUIXFQANLM-HIFRSBDPSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@H]1CC ZINC000576968463 365736933 /nfs/dbraw/zinc/73/69/33/365736933.db2.gz UASGIUIXFQANLM-UKRRQHHQSA-N 1 0 247.382 3.672 20 0 BHADRO CCOc1cc(C)ccc1C[NH2+][C@H]1CC[C@@H]1CC ZINC000576968464 365737266 /nfs/dbraw/zinc/73/72/66/365737266.db2.gz UASGIUIXFQANLM-ZFWWWQNUSA-N 1 0 247.382 3.672 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC000577004186 365752687 /nfs/dbraw/zinc/75/26/87/365752687.db2.gz CRRJTDRNNWUIQH-GDBMZVCRSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC000577004187 365752975 /nfs/dbraw/zinc/75/29/75/365752975.db2.gz CRRJTDRNNWUIQH-GOEBONIOSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC000577004188 365752964 /nfs/dbraw/zinc/75/29/64/365752964.db2.gz CRRJTDRNNWUIQH-HOCLYGCPSA-N 1 0 229.367 3.769 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC000577004189 365753121 /nfs/dbraw/zinc/75/31/21/365753121.db2.gz CRRJTDRNNWUIQH-ZBFHGGJFSA-N 1 0 229.367 3.769 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1CC(CC)C1 ZINC000577010459 365760202 /nfs/dbraw/zinc/76/02/02/365760202.db2.gz MNJGJQCHVYXDNB-OGVSOVDVSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(CC)C1 ZINC000577010460 365759847 /nfs/dbraw/zinc/75/98/47/365759847.db2.gz MNJGJQCHVYXDNB-SIWZUTFBSA-N 1 0 231.383 3.786 20 0 BHADRO Clc1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000577018301 365768979 /nfs/dbraw/zinc/76/89/79/365768979.db2.gz LMCFCPVYRCWOTL-UHFFFAOYSA-N 1 0 249.785 3.962 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000577026536 365773103 /nfs/dbraw/zinc/77/31/03/365773103.db2.gz QTVFPXIPOYNBSS-GDBMZVCRSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000577026537 365773282 /nfs/dbraw/zinc/77/32/82/365773282.db2.gz QTVFPXIPOYNBSS-GOEBONIOSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000577026538 365773209 /nfs/dbraw/zinc/77/32/09/365773209.db2.gz QTVFPXIPOYNBSS-HOCLYGCPSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000577026539 365773679 /nfs/dbraw/zinc/77/36/79/365773679.db2.gz QTVFPXIPOYNBSS-ZBFHGGJFSA-N 1 0 247.382 3.793 20 0 BHADRO c1ccc(CCCC[NH2+]C2(C3CC3)CC2)cc1 ZINC000577037555 365781695 /nfs/dbraw/zinc/78/16/95/365781695.db2.gz BJZDTFMAGQTIKI-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO COc1cc(C)cc(C[NH2+]C2CCC(C)CC2)c1 ZINC000577049527 365788909 /nfs/dbraw/zinc/78/89/09/365788909.db2.gz FKQXGPIRPINGMC-UHFFFAOYSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000577052594 365792197 /nfs/dbraw/zinc/79/21/97/365792197.db2.gz XHCJEAGWXQFIFW-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCC1([NH2+]Cc2c(C)nsc2C)CCCC1 ZINC000577073929 343828539 /nfs/dbraw/zinc/82/85/39/343828539.db2.gz VWLZVZQDJLMENE-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000577077969 365808047 /nfs/dbraw/zinc/80/80/47/365808047.db2.gz QHQLDRRNFPPALS-BJWYYQGGSA-N 1 0 237.346 3.728 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000577077970 365807949 /nfs/dbraw/zinc/80/79/49/365807949.db2.gz QHQLDRRNFPPALS-FVQHAEBGSA-N 1 0 237.346 3.728 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000577087261 365811226 /nfs/dbraw/zinc/81/12/26/365811226.db2.gz LZTIJUXBMFPYNN-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000577087262 365811044 /nfs/dbraw/zinc/81/10/44/365811044.db2.gz LZTIJUXBMFPYNN-IIAWOOMASA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)c1ccccc1 ZINC000577087264 365810810 /nfs/dbraw/zinc/81/08/10/365810810.db2.gz LZTIJUXBMFPYNN-LZWOXQAQSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)c1ccccc1 ZINC000577087265 365810802 /nfs/dbraw/zinc/81/08/02/365810802.db2.gz LZTIJUXBMFPYNN-SQWLQELKSA-N 1 0 231.383 3.958 20 0 BHADRO CSC1(C[NH2+]C[C@@H](C)c2cccc(C)c2)CC1 ZINC000577100426 365815878 /nfs/dbraw/zinc/81/58/78/365815878.db2.gz FHTOWDVUOMWTFO-CYBMUJFWSA-N 1 0 249.423 3.584 20 0 BHADRO CSC1(C[NH2+]C[C@H](C)c2cccc(C)c2)CC1 ZINC000577100427 365815510 /nfs/dbraw/zinc/81/55/10/365815510.db2.gz FHTOWDVUOMWTFO-ZDUSSCGKSA-N 1 0 249.423 3.584 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000577107442 365819600 /nfs/dbraw/zinc/81/96/00/365819600.db2.gz MNUVCIIMAUYDMU-MDZLAQPJSA-N 1 0 237.318 3.527 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000577107443 365819318 /nfs/dbraw/zinc/81/93/18/365819318.db2.gz MNUVCIIMAUYDMU-NQBHXWOUSA-N 1 0 237.318 3.527 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000577107444 365819608 /nfs/dbraw/zinc/81/96/08/365819608.db2.gz MNUVCIIMAUYDMU-NTZNESFSSA-N 1 0 237.318 3.527 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000577107445 365819030 /nfs/dbraw/zinc/81/90/30/365819030.db2.gz MNUVCIIMAUYDMU-WZRBSPASSA-N 1 0 237.318 3.527 20 0 BHADRO CC1(c2ccccc2)CC([NH2+]C2(CF)CCC2)C1 ZINC000577108904 365817235 /nfs/dbraw/zinc/81/72/35/365817235.db2.gz KVFMTIJDOXGTSH-UHFFFAOYSA-N 1 0 247.357 3.589 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000577128814 365830194 /nfs/dbraw/zinc/83/01/94/365830194.db2.gz KTLHZQFCDRZJPE-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000577128815 365830959 /nfs/dbraw/zinc/83/09/59/365830959.db2.gz KTLHZQFCDRZJPE-DLKVLKDVSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000577128816 365830807 /nfs/dbraw/zinc/83/08/07/365830807.db2.gz KTLHZQFCDRZJPE-MZGVZZPPSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000577128817 365829922 /nfs/dbraw/zinc/82/99/22/365829922.db2.gz KTLHZQFCDRZJPE-UIBBOPPKSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000577132874 365832115 /nfs/dbraw/zinc/83/21/15/365832115.db2.gz MSSFQZIGCOJURZ-CYBMUJFWSA-N 1 0 223.747 3.570 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000577132875 365831582 /nfs/dbraw/zinc/83/15/82/365831582.db2.gz MSSFQZIGCOJURZ-ZDUSSCGKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000577141048 365834815 /nfs/dbraw/zinc/83/48/15/365834815.db2.gz WVWPQECPXWCYGG-DMOGRIERSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000577141049 365834753 /nfs/dbraw/zinc/83/47/53/365834753.db2.gz WVWPQECPXWCYGG-JYBOHDQNSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000577141050 365835696 /nfs/dbraw/zinc/83/56/96/365835696.db2.gz WVWPQECPXWCYGG-QKEWWQLBSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000577141051 365835432 /nfs/dbraw/zinc/83/54/32/365835432.db2.gz WVWPQECPXWCYGG-QYNFOATHSA-N 1 0 249.320 3.743 20 0 BHADRO c1csc(CCC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000577161829 365848309 /nfs/dbraw/zinc/84/83/09/365848309.db2.gz FTJXCXHPNQUEHT-UHFFFAOYSA-N 1 0 249.423 3.993 20 0 BHADRO CC1(C[N@H+](Cc2cccs2)C2CC2)CC1 ZINC000577164434 365847994 /nfs/dbraw/zinc/84/79/94/365847994.db2.gz RWKNMBYXKVWGAF-UHFFFAOYSA-N 1 0 221.369 3.513 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000577166969 365849233 /nfs/dbraw/zinc/84/92/33/365849233.db2.gz RQGWKEDFUSJYDM-BARDWOONSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000577166970 365849605 /nfs/dbraw/zinc/84/96/05/365849605.db2.gz RQGWKEDFUSJYDM-IHRRRGAJSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000577166971 365849645 /nfs/dbraw/zinc/84/96/45/365849645.db2.gz RQGWKEDFUSJYDM-LJISPDSOSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000577166972 365849595 /nfs/dbraw/zinc/84/95/95/365849595.db2.gz RQGWKEDFUSJYDM-MCIONIFRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cc(C[N@@H+](C)C2(C)CCCC2)cc(C)c1O ZINC000577187881 365868442 /nfs/dbraw/zinc/86/84/42/365868442.db2.gz YLZXMENVXJARBL-UHFFFAOYSA-N 1 0 247.382 3.774 20 0 BHADRO CC(C)C(C[N@H+](C)Cc1ccco1)C(C)C ZINC000577198811 365873960 /nfs/dbraw/zinc/87/39/60/365873960.db2.gz PLNXYBAGYWEJNY-UHFFFAOYSA-N 1 0 223.360 3.640 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000577210827 365882815 /nfs/dbraw/zinc/88/28/15/365882815.db2.gz DDICFWDOLWVBAU-FPMFFAJLSA-N 1 0 247.407 3.858 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CSc2ccccc21 ZINC000577210832 365882466 /nfs/dbraw/zinc/88/24/66/365882466.db2.gz DDICFWDOLWVBAU-IACUBPJLSA-N 1 0 247.407 3.858 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000577210833 365882829 /nfs/dbraw/zinc/88/28/29/365882829.db2.gz DDICFWDOLWVBAU-UBHSHLNASA-N 1 0 247.407 3.858 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CSc2ccccc21 ZINC000577210834 365882515 /nfs/dbraw/zinc/88/25/15/365882515.db2.gz DDICFWDOLWVBAU-YUTCNCBUSA-N 1 0 247.407 3.858 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@H](F)C2)C2CC2)cc1 ZINC000577227969 365890857 /nfs/dbraw/zinc/89/08/57/365890857.db2.gz OZAJJXXZKSGKSR-JYJNAYRXSA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C2CC2)cc1 ZINC000577227970 365892223 /nfs/dbraw/zinc/89/22/23/365892223.db2.gz OZAJJXXZKSGKSR-OAGGEKHMSA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](F)C2)C2CC2)cc1 ZINC000577227971 365892507 /nfs/dbraw/zinc/89/25/07/365892507.db2.gz OZAJJXXZKSGKSR-PMPSAXMXSA-N 1 0 247.357 3.926 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H](F)C2)C2CC2)cc1 ZINC000577227972 365891574 /nfs/dbraw/zinc/89/15/74/365891574.db2.gz OZAJJXXZKSGKSR-XHSDSOJGSA-N 1 0 247.357 3.926 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@H]1CCC1(C)C ZINC000577244445 365897996 /nfs/dbraw/zinc/89/79/96/365897996.db2.gz UPYPFSPEBBDSPK-HNNXBMFYSA-N 1 0 247.382 3.536 20 0 BHADRO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000577244446 365898150 /nfs/dbraw/zinc/89/81/50/365898150.db2.gz UPYPFSPEBBDSPK-OAHLLOKOSA-N 1 0 247.382 3.536 20 0 BHADRO CCC(CC)C[N@H+](CC)CC1(SC)CC1 ZINC000577247790 365898448 /nfs/dbraw/zinc/89/84/48/365898448.db2.gz RSUWFXFEOMOLOY-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC1(C)CC1 ZINC000577256539 365902582 /nfs/dbraw/zinc/90/25/82/365902582.db2.gz NNBWBRBODGREGI-LLVKDONJSA-N 1 0 233.330 3.545 20 0 BHADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CC1(C)CC1 ZINC000577256541 365902899 /nfs/dbraw/zinc/90/28/99/365902899.db2.gz NNBWBRBODGREGI-NSHDSACASA-N 1 0 233.330 3.545 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000577319108 365925845 /nfs/dbraw/zinc/92/58/45/365925845.db2.gz GMJMUCJUUDYPCP-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COCC1(C[NH2+][C@@H](C)CC(C)C)CCCCC1 ZINC000577328221 365925382 /nfs/dbraw/zinc/92/53/82/365925382.db2.gz XEBWDFAAVXSRIK-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(C[NH2+][C@H](C)CC(C)C)CCCCC1 ZINC000577328222 365925511 /nfs/dbraw/zinc/92/55/11/365925511.db2.gz XEBWDFAAVXSRIK-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000577338083 365926746 /nfs/dbraw/zinc/92/67/46/365926746.db2.gz XPBAOBJBFWRTBZ-AVRGHOLYSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000577338084 365926602 /nfs/dbraw/zinc/92/66/02/365926602.db2.gz XPBAOBJBFWRTBZ-GUYJKWIASA-N 1 0 229.367 3.616 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000577338085 344523007 /nfs/dbraw/zinc/52/30/07/344523007.db2.gz XPBAOBJBFWRTBZ-GVAFMPQTSA-N 1 0 229.367 3.616 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000577338089 344522959 /nfs/dbraw/zinc/52/29/59/344522959.db2.gz XPBAOBJBFWRTBZ-SHUKQUCYSA-N 1 0 229.367 3.616 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1CCC1 ZINC000577339646 365927974 /nfs/dbraw/zinc/92/79/74/365927974.db2.gz NPDZUFFNTWLJFI-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1CCC1 ZINC000577339647 365927641 /nfs/dbraw/zinc/92/76/41/365927641.db2.gz NPDZUFFNTWLJFI-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000577348841 365930352 /nfs/dbraw/zinc/93/03/52/365930352.db2.gz DSMARMUYSIXFPL-CYBMUJFWSA-N 1 0 247.382 3.756 20 0 BHADRO CC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000577348849 365931465 /nfs/dbraw/zinc/93/14/65/365931465.db2.gz DSMARMUYSIXFPL-ZDUSSCGKSA-N 1 0 247.382 3.756 20 0 BHADRO Cc1ccc(C[NH2+]C2CC(F)(F)C2)c(Cl)c1 ZINC000577378747 365939664 /nfs/dbraw/zinc/93/96/64/365939664.db2.gz BPTJNFNCOVBWQY-UHFFFAOYSA-N 1 0 245.700 3.536 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cscn1 ZINC000577388128 365941603 /nfs/dbraw/zinc/94/16/03/365941603.db2.gz APUMZBNVXHFZIM-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cscn1 ZINC000577388129 365941576 /nfs/dbraw/zinc/94/15/76/365941576.db2.gz APUMZBNVXHFZIM-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cscn1 ZINC000577388130 365941834 /nfs/dbraw/zinc/94/18/34/365941834.db2.gz APUMZBNVXHFZIM-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cscn1 ZINC000577388131 365941561 /nfs/dbraw/zinc/94/15/61/365941561.db2.gz APUMZBNVXHFZIM-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCSC1CCCCC1 ZINC000577414263 365951730 /nfs/dbraw/zinc/95/17/30/365951730.db2.gz FSPSEGKOPDPNTM-GFCCVEGCSA-N 1 0 241.444 3.783 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCSC1CCCCC1 ZINC000577414267 365951985 /nfs/dbraw/zinc/95/19/85/365951985.db2.gz FSPSEGKOPDPNTM-LBPRGKRZSA-N 1 0 241.444 3.783 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@@H]1C)[C@H]1CC1(C)C ZINC000577417105 365951177 /nfs/dbraw/zinc/95/11/77/365951177.db2.gz LAAPCSIXTUFHCF-MDHDOXDCSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@H]1C)[C@H]1CC1(C)C ZINC000577417106 365951875 /nfs/dbraw/zinc/95/18/75/365951875.db2.gz LAAPCSIXTUFHCF-MEDZGJRSSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@H]1C)[C@@H]1CC1(C)C ZINC000577417107 365951674 /nfs/dbraw/zinc/95/16/74/365951674.db2.gz LAAPCSIXTUFHCF-UHXUCMFUSA-N 1 0 245.366 3.533 20 0 BHADRO C[C@H]([NH2+][C@@H]1c2ccccc2O[C@@H]1C)[C@@H]1CC1(C)C ZINC000577417108 365951917 /nfs/dbraw/zinc/95/19/17/365951917.db2.gz LAAPCSIXTUFHCF-WJNVRWDZSA-N 1 0 245.366 3.533 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000577421047 365951408 /nfs/dbraw/zinc/95/14/08/365951408.db2.gz FOOCQAAIEYKRJJ-JTQLQIEISA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000577421048 365951882 /nfs/dbraw/zinc/95/18/82/365951882.db2.gz FOOCQAAIEYKRJJ-SNVBAGLBSA-N 1 0 239.309 3.804 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)CCCOC(C)C)c1 ZINC000577425576 365951889 /nfs/dbraw/zinc/95/18/89/365951889.db2.gz ZGWHRCVGIXHGFL-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000577428140 365951944 /nfs/dbraw/zinc/95/19/44/365951944.db2.gz ZFQLNSMQXHUIHC-INIZCTEOSA-N 1 0 231.383 3.570 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000577428141 365951365 /nfs/dbraw/zinc/95/13/65/365951365.db2.gz ZFQLNSMQXHUIHC-MRXNPFEDSA-N 1 0 231.383 3.570 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCCC1CCCC1 ZINC000577438943 365953025 /nfs/dbraw/zinc/95/30/25/365953025.db2.gz WRVWLSLRZNODNJ-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCCC1CCCC1 ZINC000577438946 365953250 /nfs/dbraw/zinc/95/32/50/365953250.db2.gz WRVWLSLRZNODNJ-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO CC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1cccc2C)OC ZINC000577446113 365953333 /nfs/dbraw/zinc/95/33/33/365953333.db2.gz QAGRYGNOXRKRFN-GUTXKFCHSA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1cccc2C)OC ZINC000577446114 365953256 /nfs/dbraw/zinc/95/32/56/365953256.db2.gz QAGRYGNOXRKRFN-GZBFAFLISA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C)OC ZINC000577446116 365952842 /nfs/dbraw/zinc/95/28/42/365952842.db2.gz QAGRYGNOXRKRFN-NFAWXSAZSA-N 1 0 247.382 3.558 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C)OC ZINC000577446118 344529040 /nfs/dbraw/zinc/52/90/40/344529040.db2.gz QAGRYGNOXRKRFN-UMVBOHGHSA-N 1 0 247.382 3.558 20 0 BHADRO CCC[N@H+](CC1CC1)CC1Cc2ccccc2C1 ZINC000577451361 365954106 /nfs/dbraw/zinc/95/41/06/365954106.db2.gz GDKQDLBZTQZQPE-UHFFFAOYSA-N 1 0 243.394 3.523 20 0 BHADRO CC(C)C[N@H+](CC1(C)CC1)C1CCCC1 ZINC000577456147 365956534 /nfs/dbraw/zinc/95/65/34/365956534.db2.gz BXIGUBCWXICTTL-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000577469727 365962545 /nfs/dbraw/zinc/96/25/45/365962545.db2.gz RTAVWOSNXPLHCD-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000577469728 365962115 /nfs/dbraw/zinc/96/21/15/365962115.db2.gz RTAVWOSNXPLHCD-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO c1cc2cc(N[C@@H]3CCC[C@H]4C[C@H]43)ccc2c[nH+]1 ZINC000577469893 365962558 /nfs/dbraw/zinc/96/25/58/365962558.db2.gz XCKJIHNYJWYGSW-APHBMKBZSA-N 1 0 238.334 3.835 20 0 BHADRO c1cc2cc(N[C@H]3CCC[C@H]4C[C@H]43)ccc2c[nH+]1 ZINC000577469894 365962424 /nfs/dbraw/zinc/96/24/24/365962424.db2.gz XCKJIHNYJWYGSW-MAZHCROVSA-N 1 0 238.334 3.835 20 0 BHADRO CCc1cccc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000577498075 365969871 /nfs/dbraw/zinc/96/98/71/365969871.db2.gz JMNHMSXDVUNBBP-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(C)nsc1C)C(C)(C)C ZINC000577526452 365978922 /nfs/dbraw/zinc/97/89/22/365978922.db2.gz CJRCCGPKYUUBGX-GFCCVEGCSA-N 1 0 240.416 3.674 20 0 BHADRO CC[C@H]([NH2+]Cc1c(C)nsc1C)C(C)(C)C ZINC000577526453 365979554 /nfs/dbraw/zinc/97/95/54/365979554.db2.gz CJRCCGPKYUUBGX-LBPRGKRZSA-N 1 0 240.416 3.674 20 0 BHADRO CCC[N@H+](Cc1nc2ccccc2s1)C(C)C ZINC000577528401 365981066 /nfs/dbraw/zinc/98/10/66/365981066.db2.gz VPHJTGWSTCCBHL-UHFFFAOYSA-N 1 0 248.395 3.917 20 0 BHADRO CC(C)(C)C[NH+](Cc1cc[nH]c1)CC(C)(C)C ZINC000577543019 365981681 /nfs/dbraw/zinc/98/16/81/365981681.db2.gz URJPRYPCHXYJDL-UHFFFAOYSA-N 1 0 236.403 3.909 20 0 BHADRO COCC1(C[NH2+][C@H](C)C(C)(C)C)CCCCC1 ZINC000577547197 365984295 /nfs/dbraw/zinc/98/42/95/365984295.db2.gz ZUSLKYOYUUKVNZ-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(C[NH2+][C@@H](C)C(C)(C)C)CCCCC1 ZINC000577547198 365983785 /nfs/dbraw/zinc/98/37/85/365983785.db2.gz ZUSLKYOYUUKVNZ-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000577557921 365985511 /nfs/dbraw/zinc/98/55/11/365985511.db2.gz BFWVBVZFTUKOAT-UHFFFAOYSA-N 1 0 239.309 3.553 20 0 BHADRO CCC(C)(C)[N@H+](C)CC1Cc2ccccc2C1 ZINC000577566841 365989540 /nfs/dbraw/zinc/98/95/40/365989540.db2.gz CNADHEANZGEIMX-UHFFFAOYSA-N 1 0 231.383 3.522 20 0 BHADRO CC1(C[NH+]2CCC(c3ccsc3)CC2)CC1 ZINC000577568810 365992364 /nfs/dbraw/zinc/99/23/64/365992364.db2.gz MMTUECKCWGKYKZ-UHFFFAOYSA-N 1 0 235.396 3.728 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000577576411 365998630 /nfs/dbraw/zinc/99/86/30/365998630.db2.gz PTSRFIPRLVAFDV-DOMZBBRYSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000577576412 365998928 /nfs/dbraw/zinc/99/89/28/365998928.db2.gz PTSRFIPRLVAFDV-IUODEOHRSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000577576413 365998686 /nfs/dbraw/zinc/99/86/86/365998686.db2.gz PTSRFIPRLVAFDV-SWLSCSKDSA-N 1 0 247.382 3.938 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000577576414 365998299 /nfs/dbraw/zinc/99/82/99/365998299.db2.gz PTSRFIPRLVAFDV-WFASDCNBSA-N 1 0 247.382 3.938 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C1CC(C)(C)C1 ZINC000577578006 366000110 /nfs/dbraw/zinc/00/01/10/366000110.db2.gz WBSNYNSXDJOFDT-GFCCVEGCSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C1CC(C)(C)C1 ZINC000577578007 365999747 /nfs/dbraw/zinc/99/97/47/365999747.db2.gz WBSNYNSXDJOFDT-LBPRGKRZSA-N 1 0 249.373 3.925 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]CC1=CCCOC1 ZINC000577597671 365999838 /nfs/dbraw/zinc/99/98/38/365999838.db2.gz LPRRSPNTSDWORO-AWEZNQCLSA-N 1 0 239.403 3.529 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]CC1=CCCOC1 ZINC000577597672 366000975 /nfs/dbraw/zinc/00/09/75/366000975.db2.gz LPRRSPNTSDWORO-CQSZACIVSA-N 1 0 239.403 3.529 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000577611221 366017564 /nfs/dbraw/zinc/01/75/64/366017564.db2.gz OXGGJTBWCQSCBL-BJJXKVORSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000577611222 366017734 /nfs/dbraw/zinc/01/77/34/366017734.db2.gz OXGGJTBWCQSCBL-DUVNUKRYSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000577611223 366016731 /nfs/dbraw/zinc/01/67/31/366016731.db2.gz OXGGJTBWCQSCBL-JGGQBBKZSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000577611224 366017705 /nfs/dbraw/zinc/01/77/05/366017705.db2.gz OXGGJTBWCQSCBL-NOLJZWGESA-N 1 0 246.398 3.729 20 0 BHADRO CC[C@H]([NH2+]CCc1cccc(OC)c1)C(C)(C)C ZINC000577676869 366035576 /nfs/dbraw/zinc/03/55/76/366035576.db2.gz VZAIJATYNIFSCP-HNNXBMFYSA-N 1 0 249.398 3.652 20 0 BHADRO CC[C@@H]([NH2+]CCc1cccc(OC)c1)C(C)(C)C ZINC000577676870 366035503 /nfs/dbraw/zinc/03/55/03/366035503.db2.gz VZAIJATYNIFSCP-OAHLLOKOSA-N 1 0 249.398 3.652 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1Cc2cccnc2C1 ZINC000577743844 366049197 /nfs/dbraw/zinc/04/91/97/366049197.db2.gz IORZEQPVDHTYDC-CYBMUJFWSA-N 1 0 232.371 3.614 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1Cc2cccnc2C1 ZINC000577743845 366048778 /nfs/dbraw/zinc/04/87/78/366048778.db2.gz IORZEQPVDHTYDC-ZDUSSCGKSA-N 1 0 232.371 3.614 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000577747890 366051974 /nfs/dbraw/zinc/05/19/74/366051974.db2.gz DQDWKSOXUGUMSU-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000577747891 366052229 /nfs/dbraw/zinc/05/22/29/366052229.db2.gz DQDWKSOXUGUMSU-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CCCC12CC2 ZINC000577748429 366052192 /nfs/dbraw/zinc/05/21/92/366052192.db2.gz YAFGGFWDASKOPW-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000577748430 366052164 /nfs/dbraw/zinc/05/21/64/366052164.db2.gz YAFGGFWDASKOPW-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C(C)(C)C ZINC000577750527 366053663 /nfs/dbraw/zinc/05/36/63/366053663.db2.gz KMLLABQCJDNBIV-SRVKXCTJSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C(C)(C)C ZINC000577750528 366053350 /nfs/dbraw/zinc/05/33/50/366053350.db2.gz KMLLABQCJDNBIV-TUAOUCFPSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C(C)(C)C ZINC000577750529 366053501 /nfs/dbraw/zinc/05/35/01/366053501.db2.gz KMLLABQCJDNBIV-UTUOFQBUSA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C(C)(C)C ZINC000577750530 366053437 /nfs/dbraw/zinc/05/34/37/366053437.db2.gz KMLLABQCJDNBIV-WOPDTQHZSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[N@H+](Cc1ccc(Cl)o1)C(C)C ZINC000577768450 366059167 /nfs/dbraw/zinc/05/91/67/366059167.db2.gz CLPUVXJMHNUKIB-UHFFFAOYSA-N 1 0 215.724 3.553 20 0 BHADRO Cc1cccc([C@H](C)[N@H+]2CC=C(C)CC2)c1 ZINC000577774486 366060377 /nfs/dbraw/zinc/06/03/77/366060377.db2.gz SSSQFIPUYYYSLE-AWEZNQCLSA-N 1 0 215.340 3.708 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+]2CC=C(C)CC2)c1 ZINC000577774488 366060409 /nfs/dbraw/zinc/06/04/09/366060409.db2.gz SSSQFIPUYYYSLE-CQSZACIVSA-N 1 0 215.340 3.708 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000577776524 366060582 /nfs/dbraw/zinc/06/05/82/366060582.db2.gz ZDXSQJCYEDFGTN-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000577776525 366060810 /nfs/dbraw/zinc/06/08/10/366060810.db2.gz ZDXSQJCYEDFGTN-BYNSBNAKSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000577776526 366061126 /nfs/dbraw/zinc/06/11/26/366061126.db2.gz ZDXSQJCYEDFGTN-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000577776527 366059238 /nfs/dbraw/zinc/05/92/38/366059238.db2.gz ZDXSQJCYEDFGTN-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO CC1=CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000577782566 366061224 /nfs/dbraw/zinc/06/12/24/366061224.db2.gz CFHUFVOPBHHPJQ-HWKANZROSA-N 1 0 249.304 3.630 20 0 BHADRO CC1=CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000577782567 366061066 /nfs/dbraw/zinc/06/10/66/366061066.db2.gz CFHUFVOPBHHPJQ-HYXAFXHYSA-N 1 0 249.304 3.630 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000577790228 366061153 /nfs/dbraw/zinc/06/11/53/366061153.db2.gz CQXBQLDDDDCNPB-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1Cl ZINC000577790229 366060431 /nfs/dbraw/zinc/06/04/31/366060431.db2.gz CQXBQLDDDDCNPB-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000577790230 366060497 /nfs/dbraw/zinc/06/04/97/366060497.db2.gz CQXBQLDDDDCNPB-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)[C@@H]1C ZINC000577790231 366060901 /nfs/dbraw/zinc/06/09/01/366060901.db2.gz CQXBQLDDDDCNPB-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO CC[N@@H+](Cc1cc(C)c(O)c(C)c1)CC1CCC1 ZINC000577800460 366062554 /nfs/dbraw/zinc/06/25/54/366062554.db2.gz XQCKSCWQSPTULO-UHFFFAOYSA-N 1 0 247.382 3.631 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@H]1CCCC1(F)F ZINC000577823781 366070705 /nfs/dbraw/zinc/07/07/05/366070705.db2.gz NSDLAZYEUBVXDA-GFCCVEGCSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@@H]1CCCC1(F)F ZINC000577823782 366071264 /nfs/dbraw/zinc/07/12/64/366071264.db2.gz NSDLAZYEUBVXDA-LBPRGKRZSA-N 1 0 231.330 3.542 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1C ZINC000577835685 366075618 /nfs/dbraw/zinc/07/56/18/366075618.db2.gz NNRZVXPODSJQJI-DRZSPHRISA-N 1 0 239.309 3.608 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)c1C ZINC000577835686 366076553 /nfs/dbraw/zinc/07/65/53/366076553.db2.gz NNRZVXPODSJQJI-WXHSDQCUSA-N 1 0 239.309 3.608 20 0 BHADRO C/C=C\c1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000577856529 366087095 /nfs/dbraw/zinc/08/70/95/366087095.db2.gz ZCGAKCAJAJVTNF-JLHXHDPKSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C\c1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000577856530 366087038 /nfs/dbraw/zinc/08/70/38/366087038.db2.gz ZCGAKCAJAJVTNF-QLGVYERUSA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C/c1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000577856531 366086967 /nfs/dbraw/zinc/08/69/67/366086967.db2.gz ZCGAKCAJAJVTNF-UFYXKPLISA-N 1 0 244.382 3.520 20 0 BHADRO C/C=C/c1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000577856532 366086903 /nfs/dbraw/zinc/08/69/03/366086903.db2.gz ZCGAKCAJAJVTNF-YTRREALPSA-N 1 0 244.382 3.520 20 0 BHADRO C1=C[C@H]([N@@H+]2CCCC3(CC3)C2)CCCCC1 ZINC000577871490 366093048 /nfs/dbraw/zinc/09/30/48/366093048.db2.gz WZDLTDGWRYCJIC-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCCC3(CC3)C2)CCCCC1 ZINC000577871491 366092600 /nfs/dbraw/zinc/09/26/00/366092600.db2.gz WZDLTDGWRYCJIC-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000577877764 366095299 /nfs/dbraw/zinc/09/52/99/366095299.db2.gz PQBLHPLQMTZDEE-SNVBAGLBSA-N 1 0 248.345 3.831 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000577889602 366098089 /nfs/dbraw/zinc/09/80/89/366098089.db2.gz BISSMGGYBJVSNL-DXEWXGHRSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000577889606 366098240 /nfs/dbraw/zinc/09/82/40/366098240.db2.gz BISSMGGYBJVSNL-IEAZIUSSSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000577889607 366098577 /nfs/dbraw/zinc/09/85/77/366098577.db2.gz BISSMGGYBJVSNL-NKKGCODLSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000577889608 366098444 /nfs/dbraw/zinc/09/84/44/366098444.db2.gz BISSMGGYBJVSNL-WBQNTZJQSA-N 1 0 241.378 3.761 20 0 BHADRO CC1=CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000577891910 366098600 /nfs/dbraw/zinc/09/86/00/366098600.db2.gz UZDXOWMFTQZRQK-AWEZNQCLSA-N 1 0 205.345 3.527 20 0 BHADRO CC1=CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000577891911 366098824 /nfs/dbraw/zinc/09/88/24/366098824.db2.gz UZDXOWMFTQZRQK-CQSZACIVSA-N 1 0 205.345 3.527 20 0 BHADRO CC(F)(F)CNCc1ccc2ccccc2c1 ZINC000577892725 366097920 /nfs/dbraw/zinc/09/79/20/366097920.db2.gz FTFOMEOAOYSUCQ-UHFFFAOYSA-N 1 0 235.277 3.585 20 0 BHADRO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000577893214 366097829 /nfs/dbraw/zinc/09/78/29/366097829.db2.gz FCDHUGJFEBETQD-CABCVRRESA-N 1 0 233.330 3.604 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC2)cc1 ZINC000577893215 366097872 /nfs/dbraw/zinc/09/78/72/366097872.db2.gz FCDHUGJFEBETQD-GJZGRUSLSA-N 1 0 233.330 3.604 20 0 BHADRO Fc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000577893216 366098040 /nfs/dbraw/zinc/09/80/40/366098040.db2.gz FCDHUGJFEBETQD-HUUCEWRRSA-N 1 0 233.330 3.604 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC2)cc1 ZINC000577893217 366098049 /nfs/dbraw/zinc/09/80/49/366098049.db2.gz FCDHUGJFEBETQD-LSDHHAIUSA-N 1 0 233.330 3.604 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCCCCC2)cn1 ZINC000577900671 366099524 /nfs/dbraw/zinc/09/95/24/366099524.db2.gz HDDLQLXLMYAFMA-UHFFFAOYSA-N 1 0 246.398 3.799 20 0 BHADRO CCCC[N@H+](C)Cc1ccc(SC)s1 ZINC000577907958 366100978 /nfs/dbraw/zinc/10/09/78/366100978.db2.gz ZAIPRFJNHXMJJF-UHFFFAOYSA-N 1 0 229.414 3.702 20 0 BHADRO FC1(F)CCC12C[NH+](CCC1CCCCC1)C2 ZINC000577908304 366100571 /nfs/dbraw/zinc/10/05/71/366100571.db2.gz NRAVXOLIONNXMH-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@@H]1C(F)F)CC1CCCCC1 ZINC000577913497 366101403 /nfs/dbraw/zinc/10/14/03/366101403.db2.gz MOYLBRBCRAWTFS-DRZSPHRISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@@H]1C(F)F)CC1CCCCC1 ZINC000577913498 366101351 /nfs/dbraw/zinc/10/13/51/366101351.db2.gz MOYLBRBCRAWTFS-WXHSDQCUSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cccnc1C)C1CCC1 ZINC000577918780 366101448 /nfs/dbraw/zinc/10/14/48/366101448.db2.gz DYQJQFLVUFXOHR-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cccnc1C)C1CCC1 ZINC000577918781 366101837 /nfs/dbraw/zinc/10/18/37/366101837.db2.gz DYQJQFLVUFXOHR-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO C[N@H+](CC(C)(C)C)C1CCC(F)(F)CC1 ZINC000577986892 366160321 /nfs/dbraw/zinc/16/03/21/366160321.db2.gz SPFMIFPLURGPKV-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCc1scnc1C ZINC000577988905 366161382 /nfs/dbraw/zinc/16/13/82/366161382.db2.gz HWWKXTWRZOJLFX-LLVKDONJSA-N 1 0 240.416 3.505 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCc1scnc1C ZINC000577988906 366160994 /nfs/dbraw/zinc/16/09/94/366160994.db2.gz HWWKXTWRZOJLFX-NSHDSACASA-N 1 0 240.416 3.505 20 0 BHADRO CC(C)COc1ccccc1C[N@@H+]1CCC1(C)C ZINC000577998524 366167312 /nfs/dbraw/zinc/16/73/12/366167312.db2.gz RBNOCFGHLSNABD-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000578001592 366169256 /nfs/dbraw/zinc/16/92/56/366169256.db2.gz WTTUVSJEEKOFHZ-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000578001593 366169761 /nfs/dbraw/zinc/16/97/61/366169761.db2.gz WTTUVSJEEKOFHZ-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000578001594 366169869 /nfs/dbraw/zinc/16/98/69/366169869.db2.gz WTTUVSJEEKOFHZ-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000578001595 366169752 /nfs/dbraw/zinc/16/97/52/366169752.db2.gz WTTUVSJEEKOFHZ-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1F)C(C)(C)C ZINC000578013905 366180013 /nfs/dbraw/zinc/18/00/13/366180013.db2.gz ISABWDSVZODAND-AATRIKPKSA-N 1 0 239.309 3.708 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1F)C(C)(C)C ZINC000578013906 366180602 /nfs/dbraw/zinc/18/06/02/366180602.db2.gz ISABWDSVZODAND-WAYWQWQTSA-N 1 0 239.309 3.708 20 0 BHADRO Cc1csc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000578023312 366187401 /nfs/dbraw/zinc/18/74/01/366187401.db2.gz XMYLXNYZNMHBOJ-GFCCVEGCSA-N 1 0 221.369 3.645 20 0 BHADRO Cc1csc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000578023314 366187597 /nfs/dbraw/zinc/18/75/97/366187597.db2.gz XMYLXNYZNMHBOJ-LBPRGKRZSA-N 1 0 221.369 3.645 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000578029944 366195591 /nfs/dbraw/zinc/19/55/91/366195591.db2.gz DDIPFGJEYUFBAP-CYZMBNFOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1cscn1 ZINC000578029945 366195455 /nfs/dbraw/zinc/19/54/55/366195455.db2.gz DDIPFGJEYUFBAP-KGYLQXTDSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1cscn1 ZINC000578029946 366195661 /nfs/dbraw/zinc/19/56/61/366195661.db2.gz DDIPFGJEYUFBAP-RAIGVLPGSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000578029947 366195400 /nfs/dbraw/zinc/19/54/00/366195400.db2.gz DDIPFGJEYUFBAP-WCFLWFBJSA-N 1 0 238.400 3.618 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc2c(n1)CCC2 ZINC000578039466 366199503 /nfs/dbraw/zinc/19/95/03/366199503.db2.gz BRBAEZCBBRSDOD-UHFFFAOYSA-N 1 0 246.398 3.581 20 0 BHADRO CO[C@H](C[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC000578050108 366202082 /nfs/dbraw/zinc/20/20/82/366202082.db2.gz MQSGSBZYFLHGKI-GDBMZVCRSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@H](C[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC000578050109 366202890 /nfs/dbraw/zinc/20/28/90/366202890.db2.gz MQSGSBZYFLHGKI-GOEBONIOSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@@H](C[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC000578050110 366202770 /nfs/dbraw/zinc/20/27/70/366202770.db2.gz MQSGSBZYFLHGKI-HOCLYGCPSA-N 1 0 249.398 3.646 20 0 BHADRO CO[C@@H](C[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC000578050111 366202632 /nfs/dbraw/zinc/20/26/32/366202632.db2.gz MQSGSBZYFLHGKI-ZBFHGGJFSA-N 1 0 249.398 3.646 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1(CF)CCC1 ZINC000578069757 366218313 /nfs/dbraw/zinc/21/83/13/366218313.db2.gz VYNGWNYIPKWEAR-JLHYYAGUSA-N 1 0 233.330 3.572 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1(CF)CCC1 ZINC000578069758 366217951 /nfs/dbraw/zinc/21/79/51/366217951.db2.gz VYNGWNYIPKWEAR-RAXLEYEMSA-N 1 0 233.330 3.572 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(F)cc1F ZINC000578087463 366236161 /nfs/dbraw/zinc/23/61/61/366236161.db2.gz RPKORRUCPYDISL-YDEJPDAXSA-N 1 0 243.272 3.506 20 0 BHADRO Clc1ccc([C@H]2CC[N@@H+]2C2CCC2)cc1 ZINC000578088638 366239070 /nfs/dbraw/zinc/23/90/70/366239070.db2.gz OJQPJGURCOPMGE-CYBMUJFWSA-N 1 0 221.731 3.639 20 0 BHADRO Clc1ccc([C@@H]2CC[N@@H+]2C2CCC2)cc1 ZINC000578088639 366239224 /nfs/dbraw/zinc/23/92/24/366239224.db2.gz OJQPJGURCOPMGE-ZDUSSCGKSA-N 1 0 221.731 3.639 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000578123801 366282747 /nfs/dbraw/zinc/28/27/47/366282747.db2.gz QITPUVZBDGXAER-ARFHVFGLSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000578123802 366282171 /nfs/dbraw/zinc/28/21/71/366282171.db2.gz QITPUVZBDGXAER-HRCADAONSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000578123803 366282042 /nfs/dbraw/zinc/28/20/42/366282042.db2.gz QITPUVZBDGXAER-JYJNAYRXSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000578123804 366282387 /nfs/dbraw/zinc/28/23/87/366282387.db2.gz QITPUVZBDGXAER-XHSDSOJGSA-N 1 0 244.382 3.557 20 0 BHADRO FC1(F)CC([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000578125355 366284051 /nfs/dbraw/zinc/28/40/51/366284051.db2.gz YIRPICPAWXYVOT-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C[C@H](C)O1 ZINC000578146724 366329282 /nfs/dbraw/zinc/32/92/82/366329282.db2.gz SFZDUIGTNLAEMZ-NHAGDIPZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCn1ccc(C[N@H+]2[C@H](CC)CC[C@@H]2C)c1 ZINC000578175334 366358752 /nfs/dbraw/zinc/35/87/52/366358752.db2.gz CUDYHMNSZVEQOQ-DZGCQCFKSA-N 1 0 234.387 3.661 20 0 BHADRO CCCn1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2CC)c1 ZINC000578175335 366358906 /nfs/dbraw/zinc/35/89/06/366358906.db2.gz CUDYHMNSZVEQOQ-HIFRSBDPSA-N 1 0 234.387 3.661 20 0 BHADRO CCCn1ccc(C[N@@H+]2[C@H](C)CC[C@H]2CC)c1 ZINC000578175336 366358125 /nfs/dbraw/zinc/35/81/25/366358125.db2.gz CUDYHMNSZVEQOQ-UKRRQHHQSA-N 1 0 234.387 3.661 20 0 BHADRO CCCn1ccc(C[N@@H+]2[C@@H](C)CC[C@@H]2CC)c1 ZINC000578175337 366358856 /nfs/dbraw/zinc/35/88/56/366358856.db2.gz CUDYHMNSZVEQOQ-ZFWWWQNUSA-N 1 0 234.387 3.661 20 0 BHADRO CCC1CC([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000578211710 366395440 /nfs/dbraw/zinc/39/54/40/366395440.db2.gz DHPYWGNYBCFAOT-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO c1coc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1 ZINC000578213041 366424050 /nfs/dbraw/zinc/42/40/50/366424050.db2.gz WYJFPNQHEHOSQO-INIZCTEOSA-N 1 0 241.334 3.563 20 0 BHADRO c1coc(C[NH2+]C[C@H](c2ccccc2)C2CC2)c1 ZINC000578213042 366423595 /nfs/dbraw/zinc/42/35/95/366423595.db2.gz WYJFPNQHEHOSQO-MRXNPFEDSA-N 1 0 241.334 3.563 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000578216069 366450573 /nfs/dbraw/zinc/45/05/73/366450573.db2.gz YYJIMAXUKACAGH-UHFFFAOYSA-N 1 0 245.288 3.628 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1ccoc1 ZINC000578219013 366457144 /nfs/dbraw/zinc/45/71/44/366457144.db2.gz YOUIMIJMNXWNTA-GFCCVEGCSA-N 1 0 233.355 3.901 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1ccoc1 ZINC000578219014 366455498 /nfs/dbraw/zinc/45/54/98/366455498.db2.gz YOUIMIJMNXWNTA-LBPRGKRZSA-N 1 0 233.355 3.901 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1ccoc1 ZINC000578224168 366461231 /nfs/dbraw/zinc/46/12/31/366461231.db2.gz GYSZNNMLCWUJIA-CORIIIEPSA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1ccoc1 ZINC000578224169 366461169 /nfs/dbraw/zinc/46/11/69/366461169.db2.gz GYSZNNMLCWUJIA-LNSITVRQSA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1ccoc1 ZINC000578224170 366461207 /nfs/dbraw/zinc/46/12/07/366461207.db2.gz GYSZNNMLCWUJIA-NJZAAPMLSA-N 1 0 233.355 3.757 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1ccoc1 ZINC000578224171 366461723 /nfs/dbraw/zinc/46/17/23/366461723.db2.gz GYSZNNMLCWUJIA-WHOFXGATSA-N 1 0 233.355 3.757 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)s1 ZINC000578227993 366461181 /nfs/dbraw/zinc/46/11/81/366461181.db2.gz CABPHMHAVRHKGZ-CYBMUJFWSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)s1 ZINC000578227994 366461665 /nfs/dbraw/zinc/46/16/65/366461665.db2.gz CABPHMHAVRHKGZ-ZDUSSCGKSA-N 1 0 235.396 3.679 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000578228562 366461309 /nfs/dbraw/zinc/46/13/09/366461309.db2.gz LKESOSONMOPHRD-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000578228563 366461298 /nfs/dbraw/zinc/46/12/98/366461298.db2.gz LKESOSONMOPHRD-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000578228564 366461749 /nfs/dbraw/zinc/46/17/49/366461749.db2.gz LKESOSONMOPHRD-VHSXEESVSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000578228565 366461781 /nfs/dbraw/zinc/46/17/81/366461781.db2.gz LKESOSONMOPHRD-ZJUUUORDSA-N 1 0 249.320 3.743 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cccc(COC)c1 ZINC000578229220 366461413 /nfs/dbraw/zinc/46/14/13/366461413.db2.gz JNMGTMZNBOPBIJ-UHFFFAOYSA-N 1 0 249.398 3.844 20 0 BHADRO C[C@H](F)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000578243647 366468112 /nfs/dbraw/zinc/46/81/12/366468112.db2.gz DYPILTGERZPRKD-HZMBPMFUSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000578243648 366468708 /nfs/dbraw/zinc/46/87/08/366468708.db2.gz DYPILTGERZPRKD-IINYFYTJSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000578243649 366468072 /nfs/dbraw/zinc/46/80/72/366468072.db2.gz DYPILTGERZPRKD-QMTHXVAHSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000578243650 366467825 /nfs/dbraw/zinc/46/78/25/366467825.db2.gz DYPILTGERZPRKD-YGRLFVJLSA-N 1 0 239.309 3.615 20 0 BHADRO CC(C)C(C[N@@H+]1CCC12CCC2)C(C)C ZINC000578252435 366470940 /nfs/dbraw/zinc/47/09/40/366470940.db2.gz VYIPMMRXISJWQF-UHFFFAOYSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]1C ZINC000578252876 366471426 /nfs/dbraw/zinc/47/14/26/366471426.db2.gz RLUKPVGGNNLODU-DZGCQCFKSA-N 1 0 217.356 3.553 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]1C ZINC000578252877 366471696 /nfs/dbraw/zinc/47/16/96/366471696.db2.gz RLUKPVGGNNLODU-HIFRSBDPSA-N 1 0 217.356 3.553 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1C[C@H]1C ZINC000578252878 366473188 /nfs/dbraw/zinc/47/31/88/366473188.db2.gz RLUKPVGGNNLODU-UKRRQHHQSA-N 1 0 217.356 3.553 20 0 BHADRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@H]1C ZINC000578252879 366472787 /nfs/dbraw/zinc/47/27/87/366472787.db2.gz RLUKPVGGNNLODU-ZFWWWQNUSA-N 1 0 217.356 3.553 20 0 BHADRO Cc1cnccc1C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000578292503 366475834 /nfs/dbraw/zinc/47/58/34/366475834.db2.gz GFDRMSYBYFDFJO-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccoc1 ZINC000578304284 366477259 /nfs/dbraw/zinc/47/72/59/366477259.db2.gz RKNRDYMBNWQYMZ-BMQDGWLCSA-N 1 0 243.297 3.754 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccoc1 ZINC000578304285 366477261 /nfs/dbraw/zinc/47/72/61/366477261.db2.gz RKNRDYMBNWQYMZ-GRZMOONWSA-N 1 0 243.297 3.754 20 0 BHADRO CCCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000578308660 366480697 /nfs/dbraw/zinc/48/06/97/366480697.db2.gz KXQBECQNOZXQIX-APHBMKBZSA-N 1 0 247.382 3.577 20 0 BHADRO CCCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000578308661 366479848 /nfs/dbraw/zinc/47/98/48/366479848.db2.gz KXQBECQNOZXQIX-DAXOMENPSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC000578343199 366529442 /nfs/dbraw/zinc/52/94/42/366529442.db2.gz FVOPXSLMHQWSQB-CYBMUJFWSA-N 1 0 237.362 3.723 20 0 BHADRO CC(C)Cc1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC000578343200 366529859 /nfs/dbraw/zinc/52/98/59/366529859.db2.gz FVOPXSLMHQWSQB-ZDUSSCGKSA-N 1 0 237.362 3.723 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000578367081 366541483 /nfs/dbraw/zinc/54/14/83/366541483.db2.gz HSTWGSOYERHYDY-CYAURGIBSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000578367082 366541757 /nfs/dbraw/zinc/54/17/57/366541757.db2.gz HSTWGSOYERHYDY-QNCSTDJMSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000578367083 366541819 /nfs/dbraw/zinc/54/18/19/366541819.db2.gz HSTWGSOYERHYDY-TZLBIFBXSA-N 1 0 229.367 3.820 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000578367084 366541730 /nfs/dbraw/zinc/54/17/30/366541730.db2.gz HSTWGSOYERHYDY-WJAHIIFUSA-N 1 0 229.367 3.820 20 0 BHADRO c1cc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)ccc2o1 ZINC000578369145 366541330 /nfs/dbraw/zinc/54/13/30/366541330.db2.gz WZCBZEASHZQSDY-GASCZTMLSA-N 1 0 241.334 3.665 20 0 BHADRO c1cc2cc(C[NH+]3C[C@@H]4CCC[C@H]4C3)ccc2o1 ZINC000578369146 366542035 /nfs/dbraw/zinc/54/20/35/366542035.db2.gz WZCBZEASHZQSDY-GJZGRUSLSA-N 1 0 241.334 3.665 20 0 BHADRO c1cc2cc(C[NH+]3C[C@H]4CCC[C@@H]4C3)ccc2o1 ZINC000578369147 366541953 /nfs/dbraw/zinc/54/19/53/366541953.db2.gz WZCBZEASHZQSDY-HUUCEWRRSA-N 1 0 241.334 3.665 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000578369917 366541202 /nfs/dbraw/zinc/54/12/02/366541202.db2.gz HWZNZEFPMDZQAJ-GXTWGEPZSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000578369918 366541352 /nfs/dbraw/zinc/54/13/52/366541352.db2.gz HWZNZEFPMDZQAJ-JSGCOSHPSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000578369919 366542068 /nfs/dbraw/zinc/54/20/68/366542068.db2.gz HWZNZEFPMDZQAJ-OCCSQVGLSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000578369920 366543590 /nfs/dbraw/zinc/54/35/90/366543590.db2.gz HWZNZEFPMDZQAJ-TZMCWYRMSA-N 1 0 242.366 3.931 20 0 BHADRO CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000578370050 366542967 /nfs/dbraw/zinc/54/29/67/366542967.db2.gz OFVIUTHLSUMXOB-KBPBESRZSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000578370051 366541744 /nfs/dbraw/zinc/54/17/44/366541744.db2.gz OFVIUTHLSUMXOB-KGLIPLIRSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000578370052 366541572 /nfs/dbraw/zinc/54/15/72/366541572.db2.gz OFVIUTHLSUMXOB-UONOGXRCSA-N 1 0 217.356 3.583 20 0 BHADRO CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000578370053 366541240 /nfs/dbraw/zinc/54/12/40/366541240.db2.gz OFVIUTHLSUMXOB-ZIAGYGMSSA-N 1 0 217.356 3.583 20 0 BHADRO FC(F)[C@H]1C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000578373560 366542580 /nfs/dbraw/zinc/54/25/80/366542580.db2.gz DSZSQUSEDPJVKT-RYUDHWBXSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C[NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000578390847 344853583 /nfs/dbraw/zinc/85/35/83/344853583.db2.gz JYNAOBXIJGPTBC-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1ccc2cc([C@@H](C)[NH2+]CCCF)oc2c1 ZINC000578393395 366552404 /nfs/dbraw/zinc/55/24/04/366552404.db2.gz XBYZBCVRKDTMSN-LLVKDONJSA-N 1 0 235.302 3.751 20 0 BHADRO Cc1ccc2cc([C@H](C)[NH2+]CCCF)oc2c1 ZINC000578393396 366552489 /nfs/dbraw/zinc/55/24/89/366552489.db2.gz XBYZBCVRKDTMSN-NSHDSACASA-N 1 0 235.302 3.751 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000578402248 366557219 /nfs/dbraw/zinc/55/72/19/366557219.db2.gz QFTWGNZFSKEAFF-DUVNUKRYSA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000578402249 366557271 /nfs/dbraw/zinc/55/72/71/366557271.db2.gz QFTWGNZFSKEAFF-IVMMDQJWSA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H]1C[C@@H]1C ZINC000578402250 366557198 /nfs/dbraw/zinc/55/71/98/366557198.db2.gz QFTWGNZFSKEAFF-JGGQBBKZSA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000578402251 366556884 /nfs/dbraw/zinc/55/68/84/366556884.db2.gz QFTWGNZFSKEAFF-XNRPHZJLSA-N 1 0 247.382 3.734 20 0 BHADRO COCC1(C[NH2+]C2CCCCC2)CCCCC1 ZINC000578404472 366556262 /nfs/dbraw/zinc/55/62/62/366556262.db2.gz VVXKJJCLQIUETE-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000578406928 366558199 /nfs/dbraw/zinc/55/81/99/366558199.db2.gz LBWROWGELQLZFN-GXTWGEPZSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000578406930 366557955 /nfs/dbraw/zinc/55/79/55/366557955.db2.gz LBWROWGELQLZFN-JSGCOSHPSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000578406931 366558091 /nfs/dbraw/zinc/55/80/91/366558091.db2.gz LBWROWGELQLZFN-OCCSQVGLSA-N 1 0 233.355 3.704 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000578406932 366557648 /nfs/dbraw/zinc/55/76/48/366557648.db2.gz LBWROWGELQLZFN-TZMCWYRMSA-N 1 0 233.355 3.704 20 0 BHADRO CC1(c2ccccc2)CC[NH+](CC2(F)CC2)CC1 ZINC000578411642 366559955 /nfs/dbraw/zinc/55/99/55/366559955.db2.gz BQEQMHGBYNWRKC-UHFFFAOYSA-N 1 0 247.357 3.542 20 0 BHADRO CCc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)o1 ZINC000578423940 366563759 /nfs/dbraw/zinc/56/37/59/366563759.db2.gz HVJOGTWZCIODMC-UHFFFAOYSA-N 1 0 235.371 3.756 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1F ZINC000578427959 366565066 /nfs/dbraw/zinc/56/50/66/366565066.db2.gz MFIYQCIHGRQWRS-BFHYXJOUSA-N 1 0 239.309 3.757 20 0 BHADRO CCc1ccc(C[N@@H+](C)[C@@H](C)CC)s1 ZINC000578428305 366565366 /nfs/dbraw/zinc/56/53/66/366565366.db2.gz BEGIIPBUTVBHFO-JTQLQIEISA-N 1 0 211.374 3.541 20 0 BHADRO CCc1ccc(C[N@@H+](C)[C@H](C)CC)s1 ZINC000578428306 366565079 /nfs/dbraw/zinc/56/50/79/366565079.db2.gz BEGIIPBUTVBHFO-SNVBAGLBSA-N 1 0 211.374 3.541 20 0 BHADRO CCC(CC)[N@H+](Cc1cncn1C(C)C)C1CC1 ZINC000578437522 366563915 /nfs/dbraw/zinc/56/39/15/366563915.db2.gz YYKBLOAJLGSODO-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000578442236 366569971 /nfs/dbraw/zinc/56/99/71/366569971.db2.gz FSISUEARKDAUMX-GXTWGEPZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000578442237 366569332 /nfs/dbraw/zinc/56/93/32/366569332.db2.gz FSISUEARKDAUMX-JSGCOSHPSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000578442238 366569723 /nfs/dbraw/zinc/56/97/23/366569723.db2.gz FSISUEARKDAUMX-OCCSQVGLSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000578442239 366569235 /nfs/dbraw/zinc/56/92/35/366569235.db2.gz FSISUEARKDAUMX-TZMCWYRMSA-N 1 0 239.309 3.504 20 0 BHADRO CCC(CC)[NH2+]CC1(c2cccc(OC)c2)CC1 ZINC000578472808 366576275 /nfs/dbraw/zinc/57/62/75/366576275.db2.gz OPFXDVAAXDVKCO-UHFFFAOYSA-N 1 0 247.382 3.505 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000578475071 366576360 /nfs/dbraw/zinc/57/63/60/366576360.db2.gz SROKQRXSKWFPGH-CMPLNLGQSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000578475072 366575956 /nfs/dbraw/zinc/57/59/56/366575956.db2.gz SROKQRXSKWFPGH-JQWIXIFHSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000578475073 366576099 /nfs/dbraw/zinc/57/60/99/366576099.db2.gz SROKQRXSKWFPGH-PWSUYJOCSA-N 1 0 249.320 3.863 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC000578475074 366575892 /nfs/dbraw/zinc/57/58/92/366575892.db2.gz SROKQRXSKWFPGH-ZYHUDNBSSA-N 1 0 249.320 3.863 20 0 BHADRO CC(C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000578478605 366576528 /nfs/dbraw/zinc/57/65/28/366576528.db2.gz DJSOCJYECWNCQS-UHFFFAOYSA-N 1 0 243.350 3.957 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CC1=CCCCC1 ZINC000578483657 366577582 /nfs/dbraw/zinc/57/75/82/366577582.db2.gz KJLYKLDUPWJNTR-GFCCVEGCSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CC1=CCCCC1 ZINC000578483658 366577553 /nfs/dbraw/zinc/57/75/53/366577553.db2.gz KJLYKLDUPWJNTR-LBPRGKRZSA-N 1 0 235.396 3.769 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000578485494 366577976 /nfs/dbraw/zinc/57/79/76/366577976.db2.gz VFAYZJSPKZQEIE-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000578485495 366577933 /nfs/dbraw/zinc/57/79/33/366577933.db2.gz VFAYZJSPKZQEIE-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000578527900 366592075 /nfs/dbraw/zinc/59/20/75/366592075.db2.gz TWKJXVDTUUGFGJ-HNNXBMFYSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000578527903 366591965 /nfs/dbraw/zinc/59/19/65/366591965.db2.gz TWKJXVDTUUGFGJ-OAHLLOKOSA-N 1 0 246.398 3.697 20 0 BHADRO C[N@H+](Cc1coc(-c2ccccc2)n1)C(C)(C)C ZINC000578528670 366592483 /nfs/dbraw/zinc/59/24/83/366592483.db2.gz MLOAKZSCABMRMJ-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)s1 ZINC000578532096 366593248 /nfs/dbraw/zinc/59/32/48/366593248.db2.gz ZZUINGYBCBADPZ-GHMZBOCLSA-N 1 0 241.375 3.681 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)s1 ZINC000578532097 366593387 /nfs/dbraw/zinc/59/33/87/366593387.db2.gz ZZUINGYBCBADPZ-MNOVXSKESA-N 1 0 241.375 3.681 20 0 BHADRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)s1 ZINC000578532098 366593121 /nfs/dbraw/zinc/59/31/21/366593121.db2.gz ZZUINGYBCBADPZ-QWRGUYRKSA-N 1 0 241.375 3.681 20 0 BHADRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)s1 ZINC000578532099 366593254 /nfs/dbraw/zinc/59/32/54/366593254.db2.gz ZZUINGYBCBADPZ-WDEREUQCSA-N 1 0 241.375 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C(C)(C)C ZINC000578540062 366594051 /nfs/dbraw/zinc/59/40/51/366594051.db2.gz NQYMBCZOEVUGMH-NWDGAFQWSA-N 1 0 247.382 3.802 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000578540072 366594383 /nfs/dbraw/zinc/59/43/83/366594383.db2.gz NQYMBCZOEVUGMH-VXGBXAGGSA-N 1 0 247.382 3.802 20 0 BHADRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CCC(C)(C)C ZINC000578579708 366601706 /nfs/dbraw/zinc/60/17/06/366601706.db2.gz HFTZRKPAOOLZFY-BXUZGUMPSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CCC(C)(C)C ZINC000578579710 366601213 /nfs/dbraw/zinc/60/12/13/366601213.db2.gz HFTZRKPAOOLZFY-FZMZJTMJSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CCC(C)(C)C ZINC000578579711 366601386 /nfs/dbraw/zinc/60/13/86/366601386.db2.gz HFTZRKPAOOLZFY-RISCZKNCSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CCC(C)(C)C ZINC000578579712 366601250 /nfs/dbraw/zinc/60/12/50/366601250.db2.gz HFTZRKPAOOLZFY-SMDDNHRTSA-N 1 0 233.355 3.534 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCc1cnccc1C ZINC000578596717 366599906 /nfs/dbraw/zinc/59/99/06/366599906.db2.gz VROZVRURECKVOB-HNNXBMFYSA-N 1 0 248.414 3.833 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCc1cnccc1C ZINC000578596718 366599731 /nfs/dbraw/zinc/59/97/31/366599731.db2.gz VROZVRURECKVOB-OAHLLOKOSA-N 1 0 248.414 3.833 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+]C3(C4CC4)CC3)C2)cc1 ZINC000578600755 366604676 /nfs/dbraw/zinc/60/46/76/366604676.db2.gz QIOSAKAKAXBLQJ-GDBMZVCRSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@@H]([NH2+]C3(C4CC4)CC3)C2)cc1 ZINC000578600756 366604803 /nfs/dbraw/zinc/60/48/03/366604803.db2.gz QIOSAKAKAXBLQJ-GOEBONIOSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@H]([NH2+]C3(C4CC4)CC3)C2)cc1 ZINC000578600757 366604475 /nfs/dbraw/zinc/60/44/75/366604475.db2.gz QIOSAKAKAXBLQJ-HOCLYGCPSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+]C3(C4CC4)CC3)C2)cc1 ZINC000578600758 366604911 /nfs/dbraw/zinc/60/49/11/366604911.db2.gz QIOSAKAKAXBLQJ-ZBFHGGJFSA-N 1 0 241.378 3.855 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000578625865 366611312 /nfs/dbraw/zinc/61/13/12/366611312.db2.gz PZSKZTAWZXHSQP-KBPBESRZSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000578625866 366611724 /nfs/dbraw/zinc/61/17/24/366611724.db2.gz PZSKZTAWZXHSQP-KGLIPLIRSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000578625867 366611393 /nfs/dbraw/zinc/61/13/93/366611393.db2.gz PZSKZTAWZXHSQP-UONOGXRCSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000578625868 366611400 /nfs/dbraw/zinc/61/14/00/366611400.db2.gz PZSKZTAWZXHSQP-ZIAGYGMSSA-N 1 0 246.329 3.538 20 0 BHADRO COc1ccc([C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000578635899 366615496 /nfs/dbraw/zinc/61/54/96/366615496.db2.gz VIISLBNUYIBUFX-AWEZNQCLSA-N 1 0 247.382 3.675 20 0 BHADRO COc1ccc([C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000578635900 366615413 /nfs/dbraw/zinc/61/54/13/366615413.db2.gz VIISLBNUYIBUFX-CQSZACIVSA-N 1 0 247.382 3.675 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccoc1 ZINC000578670613 366626039 /nfs/dbraw/zinc/62/60/39/366626039.db2.gz OFOXWUOIBAYMKO-JTQLQIEISA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccoc1 ZINC000578670614 366625433 /nfs/dbraw/zinc/62/54/33/366625433.db2.gz OFOXWUOIBAYMKO-SNVBAGLBSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H](C[NH+]1CC(C2CCC2)C1)c1ccc(F)cc1 ZINC000578679541 366625771 /nfs/dbraw/zinc/62/57/71/366625771.db2.gz HTJILXNDBUGDAX-GFCCVEGCSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H](C[NH+]1CC(C2CCC2)C1)c1ccc(F)cc1 ZINC000578679542 366626021 /nfs/dbraw/zinc/62/60/21/366626021.db2.gz HTJILXNDBUGDAX-LBPRGKRZSA-N 1 0 247.357 3.661 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000578685035 366627234 /nfs/dbraw/zinc/62/72/34/366627234.db2.gz JQVCJIIJSUTUFK-CYDGBPFRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000578685036 366627151 /nfs/dbraw/zinc/62/71/51/366627151.db2.gz JQVCJIIJSUTUFK-RVMXOQNASA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000578685037 366627171 /nfs/dbraw/zinc/62/71/71/366627171.db2.gz JQVCJIIJSUTUFK-VOAKCMCISA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000578685038 366626568 /nfs/dbraw/zinc/62/65/68/366626568.db2.gz JQVCJIIJSUTUFK-XQHKEYJVSA-N 1 0 245.357 3.835 20 0 BHADRO C[N@H+](CCc1ccc(F)cc1Cl)C1CCC1 ZINC000578687609 366626716 /nfs/dbraw/zinc/62/67/16/366626716.db2.gz IWCNRVSEDSFHFZ-UHFFFAOYSA-N 1 0 241.737 3.506 20 0 BHADRO Fc1ccccc1C1CC[NH+](C2CCC2)CC1 ZINC000578711891 366629006 /nfs/dbraw/zinc/62/90/06/366629006.db2.gz WUDGRWQTHUSIAT-UHFFFAOYSA-N 1 0 233.330 3.558 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)C[C@H](C)O1 ZINC000578714159 366629247 /nfs/dbraw/zinc/62/92/47/366629247.db2.gz ZZJAYSOHXFKLPD-BTTYYORXSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCCCC(C)(C)C)C[C@H](C)O1 ZINC000578714160 366629284 /nfs/dbraw/zinc/62/92/84/366629284.db2.gz ZZJAYSOHXFKLPD-WDNDVIMCSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000578734167 366634191 /nfs/dbraw/zinc/63/41/91/366634191.db2.gz PXPZIMKLZXIUJX-DIOULYMOSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000578734168 366634126 /nfs/dbraw/zinc/63/41/26/366634126.db2.gz PXPZIMKLZXIUJX-DJSGYFEHSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000578734169 366633994 /nfs/dbraw/zinc/63/39/94/366633994.db2.gz PXPZIMKLZXIUJX-WPGHFRTFSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000578734170 366634122 /nfs/dbraw/zinc/63/41/22/366634122.db2.gz PXPZIMKLZXIUJX-XFJVYGCCSA-N 1 0 247.357 3.535 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000578737985 366634367 /nfs/dbraw/zinc/63/43/67/366634367.db2.gz YBNJVOQJSVEPEQ-DZGCQCFKSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000578737986 366634887 /nfs/dbraw/zinc/63/48/87/366634887.db2.gz YBNJVOQJSVEPEQ-HIFRSBDPSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000578737987 366634784 /nfs/dbraw/zinc/63/47/84/366634784.db2.gz YBNJVOQJSVEPEQ-UKRRQHHQSA-N 1 0 246.398 3.528 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000578737988 366634442 /nfs/dbraw/zinc/63/44/42/366634442.db2.gz YBNJVOQJSVEPEQ-ZFWWWQNUSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](CC[N@H+](C)C(C)(C)C)OCc1ccccc1 ZINC000578766435 366644215 /nfs/dbraw/zinc/64/42/15/366644215.db2.gz SUHGDVHWHMFILP-AWEZNQCLSA-N 1 0 249.398 3.712 20 0 BHADRO C[C@H](CC[N@H+](C)C(C)(C)C)OCc1ccccc1 ZINC000578766436 366643941 /nfs/dbraw/zinc/64/39/41/366643941.db2.gz SUHGDVHWHMFILP-CQSZACIVSA-N 1 0 249.398 3.712 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C(C)(C)C(C)C ZINC000578781940 366647564 /nfs/dbraw/zinc/64/75/64/366647564.db2.gz WNJYLURYHJMCDU-UHFFFAOYSA-N 1 0 235.371 3.528 20 0 BHADRO CC(C)[C@H]1[N@H+](Cc2ccc(Cl)o2)CC1(C)C ZINC000578798536 366650474 /nfs/dbraw/zinc/65/04/74/366650474.db2.gz QXRYTPGXKFDCOH-GFCCVEGCSA-N 1 0 241.762 3.799 20 0 BHADRO CC(C)[C@@H]1[N@H+](Cc2ccc(Cl)o2)CC1(C)C ZINC000578798537 366650599 /nfs/dbraw/zinc/65/05/99/366650599.db2.gz QXRYTPGXKFDCOH-LBPRGKRZSA-N 1 0 241.762 3.799 20 0 BHADRO Clc1cccc(C[NH+]2CC(C3CCC3)C2)c1 ZINC000578802003 366650166 /nfs/dbraw/zinc/65/01/66/366650166.db2.gz HKOISHQQDQLEBG-UHFFFAOYSA-N 1 0 235.758 3.572 20 0 BHADRO CC(C)c1ccc(OCC[NH2+]CC2(C)CC2)cc1 ZINC000578831758 366653979 /nfs/dbraw/zinc/65/39/79/366653979.db2.gz SUPNQAMTSRXCEV-UHFFFAOYSA-N 1 0 247.382 3.579 20 0 BHADRO CC1(C)C[N@H+](CCCCCF)[C@@H]2CCC[C@H]21 ZINC000578861321 366659457 /nfs/dbraw/zinc/65/94/57/366659457.db2.gz RKPSNZUCQNZVHR-CHWSQXEVSA-N 1 0 227.367 3.637 20 0 BHADRO CC1(C)C[N@H+](CCCCCF)[C@H]2CCC[C@H]21 ZINC000578861322 366659508 /nfs/dbraw/zinc/65/95/08/366659508.db2.gz RKPSNZUCQNZVHR-OLZOCXBDSA-N 1 0 227.367 3.637 20 0 BHADRO CC1(C)C[N@H+](CCCCCF)[C@@H]2CCC[C@@H]21 ZINC000578861323 366659520 /nfs/dbraw/zinc/65/95/20/366659520.db2.gz RKPSNZUCQNZVHR-QWHCGFSZSA-N 1 0 227.367 3.637 20 0 BHADRO CC1(C)C[N@H+](CCCCCF)[C@H]2CCC[C@@H]21 ZINC000578861324 366659616 /nfs/dbraw/zinc/65/96/16/366659616.db2.gz RKPSNZUCQNZVHR-STQMWFEESA-N 1 0 227.367 3.637 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccsc1 ZINC000578867265 366661553 /nfs/dbraw/zinc/66/15/53/366661553.db2.gz KGZOFTFZKBCTEH-DLOVCJGASA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccsc1 ZINC000578867266 366661624 /nfs/dbraw/zinc/66/16/24/366661624.db2.gz KGZOFTFZKBCTEH-MVWJERBFSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccsc1 ZINC000578867267 366661971 /nfs/dbraw/zinc/66/19/71/366661971.db2.gz KGZOFTFZKBCTEH-WCQGTBRESA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccsc1 ZINC000578867268 366662062 /nfs/dbraw/zinc/66/20/62/366662062.db2.gz KGZOFTFZKBCTEH-ZMLRMANQSA-N 1 0 227.348 3.679 20 0 BHADRO CC(C)C[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000578895036 366669979 /nfs/dbraw/zinc/66/99/79/366669979.db2.gz POZVDGVGUYTXLF-LLVKDONJSA-N 1 0 242.794 3.545 20 0 BHADRO CC(C)C[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000578895040 366669830 /nfs/dbraw/zinc/66/98/30/366669830.db2.gz POZVDGVGUYTXLF-NSHDSACASA-N 1 0 242.794 3.545 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1F)CCC2 ZINC000578917892 366675394 /nfs/dbraw/zinc/67/53/94/366675394.db2.gz YPXRPNULFRATLW-PMPSAXMXSA-N 1 0 247.357 3.853 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000578918598 366676130 /nfs/dbraw/zinc/67/61/30/366676130.db2.gz HJUBNTQXBRGOTB-UHFFFAOYSA-N 1 0 247.382 3.632 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@@H]1c1ccccc1 ZINC000578924304 366675285 /nfs/dbraw/zinc/67/52/85/366675285.db2.gz LUGNJIULTLQMCJ-BPKBQXTESA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H]1c1ccccc1 ZINC000578924305 366675892 /nfs/dbraw/zinc/67/58/92/366675892.db2.gz LUGNJIULTLQMCJ-CWCFIDOXSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@@H]1c1ccccc1 ZINC000578924306 366675659 /nfs/dbraw/zinc/67/56/59/366675659.db2.gz LUGNJIULTLQMCJ-HVQZGBDUSA-N 1 0 247.357 3.659 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@H]1c1ccccc1 ZINC000578924307 366675857 /nfs/dbraw/zinc/67/58/57/366675857.db2.gz LUGNJIULTLQMCJ-RBRCJPGISA-N 1 0 247.357 3.659 20 0 BHADRO CSc1ccc(C[N@H+](C)CC(C)(C)C)s1 ZINC000578926519 366675146 /nfs/dbraw/zinc/67/51/46/366675146.db2.gz MLVVXWNRRKBNGJ-UHFFFAOYSA-N 1 0 243.441 3.948 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@H](C(C)C)CC2)n1 ZINC000578935827 366675500 /nfs/dbraw/zinc/67/55/00/366675500.db2.gz AEZXDWPJIPBWJF-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)n1 ZINC000578935830 366675405 /nfs/dbraw/zinc/67/54/05/366675405.db2.gz AEZXDWPJIPBWJF-OAHLLOKOSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000578939872 366677515 /nfs/dbraw/zinc/67/75/15/366677515.db2.gz SOWLDBALWLTSFY-KKBVYLPWSA-N 1 0 243.394 3.739 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000578939873 366676826 /nfs/dbraw/zinc/67/68/26/366676826.db2.gz SOWLDBALWLTSFY-NKKGCODLSA-N 1 0 243.394 3.739 20 0 BHADRO Cc1cccc(C[N@@H+](C)CC2(C)CC2)c1C ZINC000578952883 366679207 /nfs/dbraw/zinc/67/92/07/366679207.db2.gz AXYGZCOQAJHZSS-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO c1cc2cccc(C[NH+]3C4CCC3CC4)c2o1 ZINC000578961122 366679587 /nfs/dbraw/zinc/67/95/87/366679587.db2.gz IRGZTPBIRVPKAN-UHFFFAOYSA-N 1 0 227.307 3.560 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@]1(C)CC=CCC1 ZINC000578971930 366682598 /nfs/dbraw/zinc/68/25/98/366682598.db2.gz GODHREWAZKNTJA-GXTWGEPZSA-N 1 0 235.396 3.768 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@]1(C)CC=CCC1 ZINC000578971931 366682539 /nfs/dbraw/zinc/68/25/39/366682539.db2.gz GODHREWAZKNTJA-JSGCOSHPSA-N 1 0 235.396 3.768 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@]1(C)CC=CCC1 ZINC000578971932 366682397 /nfs/dbraw/zinc/68/23/97/366682397.db2.gz GODHREWAZKNTJA-OCCSQVGLSA-N 1 0 235.396 3.768 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@]1(C)CC=CCC1 ZINC000578971933 366682612 /nfs/dbraw/zinc/68/26/12/366682612.db2.gz GODHREWAZKNTJA-TZMCWYRMSA-N 1 0 235.396 3.768 20 0 BHADRO Cc1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1 ZINC000578983309 366685665 /nfs/dbraw/zinc/68/56/65/366685665.db2.gz BEDORYDFHWENAD-UHFFFAOYSA-N 1 0 235.758 3.775 20 0 BHADRO CSc1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000579003318 366692488 /nfs/dbraw/zinc/69/24/88/366692488.db2.gz FSMVJRBNYWGRMB-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000579027395 366699083 /nfs/dbraw/zinc/69/90/83/366699083.db2.gz DSLANRIDELICQG-BETUJISGSA-N 1 0 246.398 3.750 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cc2ccccc2o1 ZINC000579040470 366700529 /nfs/dbraw/zinc/70/05/29/366700529.db2.gz MWBFFPQHLQWCOH-CYZMBNFOSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000579040471 366700688 /nfs/dbraw/zinc/70/06/88/366700688.db2.gz MWBFFPQHLQWCOH-DRZSPHRISA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cc2ccccc2o1 ZINC000579040472 366700699 /nfs/dbraw/zinc/70/06/99/366700699.db2.gz MWBFFPQHLQWCOH-UHTWSYAYSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000579040473 366700457 /nfs/dbraw/zinc/70/04/57/366700457.db2.gz MWBFFPQHLQWCOH-WCFLWFBJSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000579062702 366701978 /nfs/dbraw/zinc/70/19/78/366701978.db2.gz NLKBZJNQWNGFCP-WJYNOGRTSA-N 1 0 243.394 3.570 20 0 BHADRO CC[N@H+](Cc1c(F)cccc1F)CC1(C)CC1 ZINC000579065740 366703085 /nfs/dbraw/zinc/70/30/85/366703085.db2.gz KAQOHHSEFPBMNF-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO C(C[NH+]1C2CCC1CC2)C1CCCCC1 ZINC000579066988 366703271 /nfs/dbraw/zinc/70/32/71/366703271.db2.gz FGWGNPBJIWNKRV-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1(CCOC)CCC1 ZINC000579082711 366706632 /nfs/dbraw/zinc/70/66/32/366706632.db2.gz HGMGDCFLXJATSN-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1(CCOC)CCC1 ZINC000579082712 366705924 /nfs/dbraw/zinc/70/59/24/366705924.db2.gz HGMGDCFLXJATSN-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000579133944 366722201 /nfs/dbraw/zinc/72/22/01/366722201.db2.gz BUEXNEHSHHYQOJ-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000579133945 366721722 /nfs/dbraw/zinc/72/17/22/366721722.db2.gz BUEXNEHSHHYQOJ-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000579134613 366722462 /nfs/dbraw/zinc/72/24/62/366722462.db2.gz SAOABMJUIWHQRF-GFCCVEGCSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000579134614 366721898 /nfs/dbraw/zinc/72/18/98/366721898.db2.gz SAOABMJUIWHQRF-LBPRGKRZSA-N 1 0 245.357 3.836 20 0 BHADRO COCC[C@H](C)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000579142949 366724844 /nfs/dbraw/zinc/72/48/44/366724844.db2.gz MPIZBKHZZODUCU-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000579142950 366724962 /nfs/dbraw/zinc/72/49/62/366724962.db2.gz MPIZBKHZZODUCU-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@H](C)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000579142951 366724877 /nfs/dbraw/zinc/72/48/77/366724877.db2.gz MPIZBKHZZODUCU-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC[C@@H](C)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000579142952 366724970 /nfs/dbraw/zinc/72/49/70/366724970.db2.gz MPIZBKHZZODUCU-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000579145714 366726028 /nfs/dbraw/zinc/72/60/28/366726028.db2.gz MIEGQAVHNSRJIZ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000579145715 366726248 /nfs/dbraw/zinc/72/62/48/366726248.db2.gz MIEGQAVHNSRJIZ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000579145716 366725406 /nfs/dbraw/zinc/72/54/06/366725406.db2.gz MIEGQAVHNSRJIZ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000579145717 366726319 /nfs/dbraw/zinc/72/63/19/366726319.db2.gz MIEGQAVHNSRJIZ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000579148641 366725767 /nfs/dbraw/zinc/72/57/67/366725767.db2.gz XSXYKNROSVCHSS-HSBZDZAISA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000579148642 366725377 /nfs/dbraw/zinc/72/53/77/366725377.db2.gz XSXYKNROSVCHSS-IYXRBSQSSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150248 366726139 /nfs/dbraw/zinc/72/61/39/366726139.db2.gz KEYWDKYMUOWBDK-LWINAJNOSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150249 366725798 /nfs/dbraw/zinc/72/57/98/366725798.db2.gz KEYWDKYMUOWBDK-RGNHYFCHSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150250 366726045 /nfs/dbraw/zinc/72/60/45/366726045.db2.gz KEYWDKYMUOWBDK-UBJUHAIHSA-N 1 0 243.272 3.553 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150251 366725443 /nfs/dbraw/zinc/72/54/43/366725443.db2.gz KEYWDKYMUOWBDK-YVZVNANGSA-N 1 0 243.272 3.553 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C)nc1 ZINC000579175209 366727324 /nfs/dbraw/zinc/72/73/24/366727324.db2.gz NMAJXHOJVNMNTR-CVEARBPZSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C)nc1 ZINC000579175210 366727051 /nfs/dbraw/zinc/72/70/51/366727051.db2.gz NMAJXHOJVNMNTR-HOTGVXAUSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C)nc1 ZINC000579175211 366726894 /nfs/dbraw/zinc/72/68/94/366726894.db2.gz NMAJXHOJVNMNTR-HZPDHXFCSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C)nc1 ZINC000579175212 366727003 /nfs/dbraw/zinc/72/70/03/366727003.db2.gz NMAJXHOJVNMNTR-JKSUJKDBSA-N 1 0 246.398 3.791 20 0 BHADRO CC(C)[N@H+](Cc1ccc(F)cc1)CC1(C)CC1 ZINC000579186411 366728937 /nfs/dbraw/zinc/72/89/37/366728937.db2.gz VGAGIBCDRKPIPD-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)o1 ZINC000579216549 366735187 /nfs/dbraw/zinc/73/51/87/366735187.db2.gz BUFLRUSKJODUJW-CQDKDKBSSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)o1 ZINC000579216550 366735860 /nfs/dbraw/zinc/73/58/60/366735860.db2.gz BUFLRUSKJODUJW-GLQYFDAESA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)o1 ZINC000579216551 366735537 /nfs/dbraw/zinc/73/55/37/366735537.db2.gz BUFLRUSKJODUJW-NILFDRSVSA-N 1 0 233.355 3.599 20 0 BHADRO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)o1 ZINC000579216552 366735115 /nfs/dbraw/zinc/73/51/15/366735115.db2.gz BUFLRUSKJODUJW-TUKIKUTGSA-N 1 0 233.355 3.599 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCCCCC1 ZINC000579216766 366735588 /nfs/dbraw/zinc/73/55/88/366735588.db2.gz MMUCCDLHGHVHIL-BLLLJJGKSA-N 1 0 245.366 3.821 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CCCCCC1 ZINC000579216767 366735620 /nfs/dbraw/zinc/73/56/20/366735620.db2.gz MMUCCDLHGHVHIL-LRDDRELGSA-N 1 0 245.366 3.821 20 0 BHADRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCCCCC1 ZINC000579216768 366735834 /nfs/dbraw/zinc/73/58/34/366735834.db2.gz MMUCCDLHGHVHIL-MLGOLLRUSA-N 1 0 245.366 3.821 20 0 BHADRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CCCCCC1 ZINC000579216769 366735715 /nfs/dbraw/zinc/73/57/15/366735715.db2.gz MMUCCDLHGHVHIL-WBMJQRKESA-N 1 0 245.366 3.821 20 0 BHADRO CCCc1nc(C)c(C[N@@H+](CCC)C(C)C)o1 ZINC000579248268 366746007 /nfs/dbraw/zinc/74/60/07/366746007.db2.gz WHHFKGDAGZJTRE-UHFFFAOYSA-N 1 0 238.375 3.556 20 0 BHADRO CCC[N@H+](Cc1cccc2[nH]ccc21)C(C)C ZINC000579258756 366752102 /nfs/dbraw/zinc/75/21/02/366752102.db2.gz YNKDFQPTTRMXGU-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000579260720 366752520 /nfs/dbraw/zinc/75/25/20/366752520.db2.gz JOHIZZNMYHXERF-JTQLQIEISA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000579260721 366752598 /nfs/dbraw/zinc/75/25/98/366752598.db2.gz JOHIZZNMYHXERF-SNVBAGLBSA-N 1 0 239.309 3.804 20 0 BHADRO C[N@H+](CCCCCF)C1CCCCCC1 ZINC000579261569 366751783 /nfs/dbraw/zinc/75/17/83/366751783.db2.gz RXQZDBFPSCDWEX-UHFFFAOYSA-N 1 0 215.356 3.781 20 0 BHADRO CCC[C@@H](C[N@H+](CC)CCOC)c1ccccc1 ZINC000579266560 366751606 /nfs/dbraw/zinc/75/16/06/366751606.db2.gz LXKJEKGXCSPVLP-INIZCTEOSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@H](C[N@H+](CC)CCOC)c1ccccc1 ZINC000579266561 366752282 /nfs/dbraw/zinc/75/22/82/366752282.db2.gz LXKJEKGXCSPVLP-MRXNPFEDSA-N 1 0 249.398 3.539 20 0 BHADRO Clc1ccsc1C[NH+]1CC(C2CCC2)C1 ZINC000579286715 366753611 /nfs/dbraw/zinc/75/36/11/366753611.db2.gz UYPPTENATKAZRN-UHFFFAOYSA-N 1 0 241.787 3.633 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)cn1 ZINC000579302876 366755571 /nfs/dbraw/zinc/75/55/71/366755571.db2.gz NTSPVGNTTLONKH-AWEZNQCLSA-N 1 0 248.414 3.689 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)[C@H](C)C(C)(C)C)cn1 ZINC000579302877 366755429 /nfs/dbraw/zinc/75/54/29/366755429.db2.gz NTSPVGNTTLONKH-CQSZACIVSA-N 1 0 248.414 3.689 20 0 BHADRO CCC1CCC([N@H+](C)CC2CCC2)CC1 ZINC000579311695 366757143 /nfs/dbraw/zinc/75/71/43/366757143.db2.gz CGHYEDSSPRTDAQ-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C1CC1 ZINC000579328291 366759902 /nfs/dbraw/zinc/75/99/02/366759902.db2.gz VRDHSMLBBFGKAH-IMJJTQAJSA-N 1 0 247.357 3.706 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)C1CC1 ZINC000579328293 366759472 /nfs/dbraw/zinc/75/94/72/366759472.db2.gz VRDHSMLBBFGKAH-NUEKZKHPSA-N 1 0 247.357 3.706 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCC(C)(C)C2CC2)c1 ZINC000579335227 366761276 /nfs/dbraw/zinc/76/12/76/366761276.db2.gz QHXLFSNRRVWCAY-CYBMUJFWSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCC(C)(C)C2CC2)c1 ZINC000579335228 366760751 /nfs/dbraw/zinc/76/07/51/366760751.db2.gz QHXLFSNRRVWCAY-ZDUSSCGKSA-N 1 0 246.398 3.867 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000579377099 366776042 /nfs/dbraw/zinc/77/60/42/366776042.db2.gz JBKZZFSVPKIHKG-HNNXBMFYSA-N 1 0 244.382 3.712 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000579377100 366775948 /nfs/dbraw/zinc/77/59/48/366775948.db2.gz JBKZZFSVPKIHKG-OAHLLOKOSA-N 1 0 244.382 3.712 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000579377308 366775711 /nfs/dbraw/zinc/77/57/11/366775711.db2.gz MJSKPWPACWJWMD-HNNXBMFYSA-N 1 0 245.366 3.508 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000579377309 366776007 /nfs/dbraw/zinc/77/60/07/366776007.db2.gz MJSKPWPACWJWMD-OAHLLOKOSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCC(F)(F)F ZINC000579378840 366776068 /nfs/dbraw/zinc/77/60/68/366776068.db2.gz FXKHIBPWIWTVSB-SNVBAGLBSA-N 1 0 237.309 3.839 20 0 BHADRO Cc1sccc1C[N@H+](C1CC1)C1CCCC1 ZINC000579385406 366775876 /nfs/dbraw/zinc/77/58/76/366775876.db2.gz ZTJKSDTUFLNUFD-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000579390635 366775842 /nfs/dbraw/zinc/77/58/42/366775842.db2.gz GLQPLEQHKDGBNR-GFCCVEGCSA-N 1 0 241.378 3.769 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000579390636 366776036 /nfs/dbraw/zinc/77/60/36/366776036.db2.gz GLQPLEQHKDGBNR-LBPRGKRZSA-N 1 0 241.378 3.769 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)C(F)(F)F)C1 ZINC000579412774 366778594 /nfs/dbraw/zinc/77/85/94/366778594.db2.gz ZIPFBUVFBCEBFP-DLOVCJGASA-N 1 0 249.320 3.767 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000579412775 366778591 /nfs/dbraw/zinc/77/85/91/366778591.db2.gz ZIPFBUVFBCEBFP-MVWJERBFSA-N 1 0 249.320 3.767 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000579412776 366778265 /nfs/dbraw/zinc/77/82/65/366778265.db2.gz ZIPFBUVFBCEBFP-WCQGTBRESA-N 1 0 249.320 3.767 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)C(F)(F)F)C1 ZINC000579412777 366778485 /nfs/dbraw/zinc/77/84/85/366778485.db2.gz ZIPFBUVFBCEBFP-ZMLRMANQSA-N 1 0 249.320 3.767 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccncc1C ZINC000579434537 366783926 /nfs/dbraw/zinc/78/39/26/366783926.db2.gz PVHOZXYDXJUREX-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO c1ccc2c(c1)C[NH+]([C@H]1C=CCCCCC1)C2 ZINC000579450407 366805759 /nfs/dbraw/zinc/80/57/59/366805759.db2.gz GBCUZITZYPXBPL-INIZCTEOSA-N 1 0 227.351 3.891 20 0 BHADRO c1ccc2c(c1)C[NH+]([C@@H]1C=CCCCCC1)C2 ZINC000579450408 366805492 /nfs/dbraw/zinc/80/54/92/366805492.db2.gz GBCUZITZYPXBPL-MRXNPFEDSA-N 1 0 227.351 3.891 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000579454910 366808250 /nfs/dbraw/zinc/80/82/50/366808250.db2.gz IIJKNEPLMQKDFI-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000579454911 366808939 /nfs/dbraw/zinc/80/89/39/366808939.db2.gz IIJKNEPLMQKDFI-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000579454912 366808326 /nfs/dbraw/zinc/80/83/26/366808326.db2.gz IIJKNEPLMQKDFI-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000579454913 366808894 /nfs/dbraw/zinc/80/88/94/366808894.db2.gz IIJKNEPLMQKDFI-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO CC1CCC([NH2+][C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000579459549 366811732 /nfs/dbraw/zinc/81/17/32/366811732.db2.gz RAHFMSYILCZABW-AGZZZRPFSA-N 1 0 243.394 3.786 20 0 BHADRO CC1CCC([NH2+][C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000579459550 366812276 /nfs/dbraw/zinc/81/22/76/366812276.db2.gz RAHFMSYILCZABW-INXRADFVSA-N 1 0 243.394 3.786 20 0 BHADRO CC1CCC([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000579459551 366811778 /nfs/dbraw/zinc/81/17/78/366811778.db2.gz RAHFMSYILCZABW-LRSKPHEKSA-N 1 0 243.394 3.786 20 0 BHADRO CC1CCC([NH2+][C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000579459552 366811314 /nfs/dbraw/zinc/81/13/14/366811314.db2.gz RAHFMSYILCZABW-PZJKJEQHSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000579490366 366830588 /nfs/dbraw/zinc/83/05/88/366830588.db2.gz WEYPMSALIRRNRN-AWEZNQCLSA-N 1 0 244.382 3.605 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000579490367 366830911 /nfs/dbraw/zinc/83/09/11/366830911.db2.gz WEYPMSALIRRNRN-CQSZACIVSA-N 1 0 244.382 3.605 20 0 BHADRO CCCCC1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000579502583 366836135 /nfs/dbraw/zinc/83/61/35/366836135.db2.gz ZMFOSYFRCSYOQD-DNOWBOINSA-N 1 0 249.402 3.809 20 0 BHADRO CCCCC1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000579502584 366836376 /nfs/dbraw/zinc/83/63/76/366836376.db2.gz ZMFOSYFRCSYOQD-OPFPJEHXSA-N 1 0 249.402 3.809 20 0 BHADRO CC(C)c1ccccc1N(C)CC1CCOCC1 ZINC000579521389 366844869 /nfs/dbraw/zinc/84/48/69/366844869.db2.gz VGDNLEAVVKARIZ-UHFFFAOYSA-N 1 0 247.382 3.673 20 0 BHADRO CCc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2CC)o1 ZINC000579528276 366845679 /nfs/dbraw/zinc/84/56/79/366845679.db2.gz IGBMMMFKXFTHNW-NEPJUHHUSA-N 1 0 221.344 3.605 20 0 BHADRO CCc1ccc(C[N@@H+]2[C@H](CC)CC[C@@H]2C)o1 ZINC000579528277 366845585 /nfs/dbraw/zinc/84/55/85/366845585.db2.gz IGBMMMFKXFTHNW-NWDGAFQWSA-N 1 0 221.344 3.605 20 0 BHADRO CCc1ccc(C[N@H+]2[C@@H](C)CC[C@@H]2CC)o1 ZINC000579528278 366845960 /nfs/dbraw/zinc/84/59/60/366845960.db2.gz IGBMMMFKXFTHNW-RYUDHWBXSA-N 1 0 221.344 3.605 20 0 BHADRO CCc1ccc(C[N@H+]2[C@H](C)CC[C@H]2CC)o1 ZINC000579528279 366845372 /nfs/dbraw/zinc/84/53/72/366845372.db2.gz IGBMMMFKXFTHNW-VXGBXAGGSA-N 1 0 221.344 3.605 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cscn1 ZINC000579528810 366839419 /nfs/dbraw/zinc/83/94/19/366839419.db2.gz LABNHKBAFBGOSZ-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cscn1 ZINC000579528815 366841814 /nfs/dbraw/zinc/84/18/14/366841814.db2.gz LABNHKBAFBGOSZ-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cscn1 ZINC000579528816 366841335 /nfs/dbraw/zinc/84/13/35/366841335.db2.gz LABNHKBAFBGOSZ-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC1(C)C ZINC000579577464 366884185 /nfs/dbraw/zinc/88/41/85/366884185.db2.gz ZBJJLPSOJYIFAE-BMOGTNHUSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCC1(C)C ZINC000579577465 366883946 /nfs/dbraw/zinc/88/39/46/366883946.db2.gz ZBJJLPSOJYIFAE-FQNOHDAGSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC1(C)C ZINC000579577466 366884445 /nfs/dbraw/zinc/88/44/45/366884445.db2.gz ZBJJLPSOJYIFAE-HFBDAHEESA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCC1(C)C ZINC000579577467 366883997 /nfs/dbraw/zinc/88/39/97/366883997.db2.gz ZBJJLPSOJYIFAE-HVCHUGMYSA-N 1 0 229.367 3.868 20 0 BHADRO CC(C)(C)OCC[NH2+]C1CC2(C1)CCCCC2 ZINC000579579368 366885305 /nfs/dbraw/zinc/88/53/05/366885305.db2.gz LKPRPMAJYYKLDV-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CSc1ccc(C[N@H+](C)C(C)(C)C)s1 ZINC000579594143 366897253 /nfs/dbraw/zinc/89/72/53/366897253.db2.gz AWHAOCOKCLDTCM-UHFFFAOYSA-N 1 0 229.414 3.700 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000579615927 366910981 /nfs/dbraw/zinc/91/09/81/366910981.db2.gz XUUUVGJMCLACPM-VIKVFOODSA-N 1 0 241.334 3.629 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579615928 366911147 /nfs/dbraw/zinc/91/11/47/366911147.db2.gz XUUUVGJMCLACPM-YWVIFJGQSA-N 1 0 241.334 3.629 20 0 BHADRO c1csc([C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C2CC2)c1 ZINC000579628428 366915449 /nfs/dbraw/zinc/91/54/49/366915449.db2.gz QTFMPZHJZIVAMQ-GZBFAFLISA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C2CC2)c1 ZINC000579628429 366915402 /nfs/dbraw/zinc/91/54/02/366915402.db2.gz QTFMPZHJZIVAMQ-KCQAQPDRSA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C2CC2)c1 ZINC000579628430 366915480 /nfs/dbraw/zinc/91/54/80/366915480.db2.gz QTFMPZHJZIVAMQ-UMVBOHGHSA-N 1 0 247.407 3.977 20 0 BHADRO c1csc([C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C2CC2)c1 ZINC000579628431 366915407 /nfs/dbraw/zinc/91/54/07/366915407.db2.gz QTFMPZHJZIVAMQ-VNHYZAJKSA-N 1 0 247.407 3.977 20 0 BHADRO CSC1(C[N@H+](CCC(C)C)C2CC2)CCC1 ZINC000579655817 366930595 /nfs/dbraw/zinc/93/05/95/366930595.db2.gz JNKFAUOWCQDBJR-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000579695433 366980956 /nfs/dbraw/zinc/98/09/56/366980956.db2.gz CEYZMTOTTLQHEZ-GFCCVEGCSA-N 1 0 241.444 3.640 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000579695434 366981680 /nfs/dbraw/zinc/98/16/80/366981680.db2.gz CEYZMTOTTLQHEZ-LBPRGKRZSA-N 1 0 241.444 3.640 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)CC2(C)CC2)cc1 ZINC000579699310 366982982 /nfs/dbraw/zinc/98/29/82/366982982.db2.gz IFVLOWBLVNXPHX-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)CC2(C)CC2)cc1 ZINC000579699312 366983079 /nfs/dbraw/zinc/98/30/79/366983079.db2.gz IFVLOWBLVNXPHX-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC23CC3)cc1 ZINC000579700681 366983008 /nfs/dbraw/zinc/98/30/08/366983008.db2.gz XQYLIFZBAQOREE-CABCVRRESA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC23CC3)cc1 ZINC000579700682 366983110 /nfs/dbraw/zinc/98/31/10/366983110.db2.gz XQYLIFZBAQOREE-GJZGRUSLSA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC23CC3)cc1 ZINC000579700683 366982282 /nfs/dbraw/zinc/98/22/82/366982282.db2.gz XQYLIFZBAQOREE-HUUCEWRRSA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC23CC3)cc1 ZINC000579700684 366982245 /nfs/dbraw/zinc/98/22/45/366982245.db2.gz XQYLIFZBAQOREE-LSDHHAIUSA-N 1 0 227.351 3.670 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccc(F)c1 ZINC000579718267 366990374 /nfs/dbraw/zinc/99/03/74/366990374.db2.gz MSNMAGIXEDTHAJ-BPNCWPANSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccc(F)c1 ZINC000579718272 366991048 /nfs/dbraw/zinc/99/10/48/366991048.db2.gz MSNMAGIXEDTHAJ-GDLCADMTSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(F)c1 ZINC000579718273 366990521 /nfs/dbraw/zinc/99/05/21/366990521.db2.gz MSNMAGIXEDTHAJ-LEWSCRJBSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccc(F)c1 ZINC000579718275 366990515 /nfs/dbraw/zinc/99/05/15/366990515.db2.gz MSNMAGIXEDTHAJ-ZLKJLUDKSA-N 1 0 239.309 3.757 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000579720072 366991910 /nfs/dbraw/zinc/99/19/10/366991910.db2.gz WHLWGTDGTQWCJV-BNOWGMLFSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000579720090 366990667 /nfs/dbraw/zinc/99/06/67/366990667.db2.gz WHLWGTDGTQWCJV-KWCYVHTRSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000579720091 366990907 /nfs/dbraw/zinc/99/09/07/366990907.db2.gz WHLWGTDGTQWCJV-MRVWCRGKSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000579720094 366992334 /nfs/dbraw/zinc/99/23/34/366992334.db2.gz WHLWGTDGTQWCJV-XBFCOCLRSA-N 1 0 227.367 3.826 20 0 BHADRO CC(C)(C[NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000579736005 366999727 /nfs/dbraw/zinc/99/97/27/366999727.db2.gz FJDUXUYIASEQNW-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)C[N@H+](C)Cc1cccc(F)c1Cl ZINC000579737530 366999735 /nfs/dbraw/zinc/99/97/35/366999735.db2.gz NHVMAHAVFLXFRH-UHFFFAOYSA-N 1 0 229.726 3.567 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000579739991 367001000 /nfs/dbraw/zinc/00/10/00/367001000.db2.gz CRMWLJGNOXZEAX-BBRMVZONSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000579739995 367000744 /nfs/dbraw/zinc/00/07/44/367000744.db2.gz CRMWLJGNOXZEAX-CJNGLKHVSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000579739996 367001010 /nfs/dbraw/zinc/00/10/10/367001010.db2.gz CRMWLJGNOXZEAX-CZUORRHYSA-N 1 0 231.383 3.814 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000579739997 367001176 /nfs/dbraw/zinc/00/11/76/367001176.db2.gz CRMWLJGNOXZEAX-XJKSGUPXSA-N 1 0 231.383 3.814 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000579740264 367000980 /nfs/dbraw/zinc/00/09/80/367000980.db2.gz XLQBXMMWLHHFDZ-AEGPPILISA-N 1 0 235.346 3.660 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000579740265 367001088 /nfs/dbraw/zinc/00/10/88/367001088.db2.gz XLQBXMMWLHHFDZ-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO CCOc1cccc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000579746792 367001137 /nfs/dbraw/zinc/00/11/37/367001137.db2.gz UISYBYUMWRTDQF-UHFFFAOYSA-N 1 0 235.371 3.610 20 0 BHADRO CCc1ccc(CC[N@H+](C(C)C)C2CC2)cc1 ZINC000579750488 367001927 /nfs/dbraw/zinc/00/19/27/367001927.db2.gz GXSRVEGJMFYXIF-UHFFFAOYSA-N 1 0 231.383 3.664 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000579758274 367002201 /nfs/dbraw/zinc/00/22/01/367002201.db2.gz ZUQNLUSDLPRFKC-OBJOEFQTSA-N 1 0 249.402 3.592 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000579758275 367001988 /nfs/dbraw/zinc/00/19/88/367001988.db2.gz ZUQNLUSDLPRFKC-OUCADQQQSA-N 1 0 249.402 3.592 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000579758276 367001901 /nfs/dbraw/zinc/00/19/01/367001901.db2.gz ZUQNLUSDLPRFKC-SCRDCRAPSA-N 1 0 249.402 3.592 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000579758277 367002514 /nfs/dbraw/zinc/00/25/14/367002514.db2.gz ZUQNLUSDLPRFKC-SGMGOOAPSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000579779583 367005542 /nfs/dbraw/zinc/00/55/42/367005542.db2.gz CNDJUJHKJVUIKP-KFWWJZLASA-N 1 0 242.451 3.520 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000579779584 367004703 /nfs/dbraw/zinc/00/47/03/367004703.db2.gz CNDJUJHKJVUIKP-RBSFLKMASA-N 1 0 242.451 3.520 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)CC1(C)CC1 ZINC000579788131 367007717 /nfs/dbraw/zinc/00/77/17/367007717.db2.gz FDCABWLCRZLYHG-AWEZNQCLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)CC1(C)CC1 ZINC000579788132 367007241 /nfs/dbraw/zinc/00/72/41/367007241.db2.gz FDCABWLCRZLYHG-CQSZACIVSA-N 1 0 231.383 3.658 20 0 BHADRO CCOCCC1(C[NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000579798934 367010193 /nfs/dbraw/zinc/01/01/93/367010193.db2.gz MGDRBHSDFHQBRR-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCOCCC1(C[NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000579798935 367010495 /nfs/dbraw/zinc/01/04/95/367010495.db2.gz MGDRBHSDFHQBRR-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CC1(C)C ZINC000579812680 367018588 /nfs/dbraw/zinc/01/85/88/367018588.db2.gz WLWQQMVPXAUAEO-AXFHLTTASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CC1(C)C ZINC000579812681 367017865 /nfs/dbraw/zinc/01/78/65/367017865.db2.gz WLWQQMVPXAUAEO-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cscn1)[C@H]1CC1(C)C ZINC000579812682 367018679 /nfs/dbraw/zinc/01/86/79/367018679.db2.gz WLWQQMVPXAUAEO-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cscn1)[C@@H]1CC1(C)C ZINC000579812683 367018377 /nfs/dbraw/zinc/01/83/77/367018377.db2.gz WLWQQMVPXAUAEO-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO CCC[N@H+](Cc1ccn(C2CCCC2)n1)C(C)C ZINC000579849830 367048877 /nfs/dbraw/zinc/04/88/77/367048877.db2.gz CZRRWOLTMRLUBN-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCCCCC2)CCC1(F)F ZINC000579889386 367061528 /nfs/dbraw/zinc/06/15/28/367061528.db2.gz UVDRXUBMAHULBU-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1C[N@H+](CC2CCCCCC2)CCC1(F)F ZINC000579889387 367061895 /nfs/dbraw/zinc/06/18/95/367061895.db2.gz UVDRXUBMAHULBU-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO CSC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCC1 ZINC000579895232 367063051 /nfs/dbraw/zinc/06/30/51/367063051.db2.gz LXLUMTZTVDBLHW-LLVKDONJSA-N 1 0 229.433 3.639 20 0 BHADRO CSC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCC1 ZINC000579895233 367063101 /nfs/dbraw/zinc/06/31/01/367063101.db2.gz LXLUMTZTVDBLHW-NSHDSACASA-N 1 0 229.433 3.639 20 0 BHADRO CC1(C[N@@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000579908022 367072253 /nfs/dbraw/zinc/07/22/53/367072253.db2.gz WINZMJMQZLVNLW-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000579951292 367098126 /nfs/dbraw/zinc/09/81/26/367098126.db2.gz BEEWJLOZGIPZDR-CHWSQXEVSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000579951293 367098599 /nfs/dbraw/zinc/09/85/99/367098599.db2.gz BEEWJLOZGIPZDR-OLZOCXBDSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000579951294 367099098 /nfs/dbraw/zinc/09/90/98/367099098.db2.gz BEEWJLOZGIPZDR-QWHCGFSZSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000579951295 367099059 /nfs/dbraw/zinc/09/90/59/367099059.db2.gz BEEWJLOZGIPZDR-STQMWFEESA-N 1 0 247.313 3.803 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@H+](C)C(C)(C)C ZINC000579954040 367100879 /nfs/dbraw/zinc/10/08/79/367100879.db2.gz ZCKORLMFMOBZSL-UHFFFAOYSA-N 1 0 234.387 3.744 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1(CF)CCC1 ZINC000579960532 367103601 /nfs/dbraw/zinc/10/36/01/367103601.db2.gz ZLYOQLHTABYZSI-GFCCVEGCSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1(CF)CCC1 ZINC000579960533 367103827 /nfs/dbraw/zinc/10/38/27/367103827.db2.gz ZLYOQLHTABYZSI-LBPRGKRZSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000579968056 367108460 /nfs/dbraw/zinc/10/84/60/367108460.db2.gz FYZHJJXXNOJJAT-DZGCQCFKSA-N 1 0 215.340 3.788 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000579968057 367108637 /nfs/dbraw/zinc/10/86/37/367108637.db2.gz FYZHJJXXNOJJAT-HIFRSBDPSA-N 1 0 215.340 3.788 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000579968058 367108002 /nfs/dbraw/zinc/10/80/02/367108002.db2.gz FYZHJJXXNOJJAT-UKRRQHHQSA-N 1 0 215.340 3.788 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1C=CCCC1 ZINC000579968059 367108316 /nfs/dbraw/zinc/10/83/16/367108316.db2.gz FYZHJJXXNOJJAT-ZFWWWQNUSA-N 1 0 215.340 3.788 20 0 BHADRO CC(C)=CC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000579976518 367113072 /nfs/dbraw/zinc/11/30/72/367113072.db2.gz ROJCUCUVSFSBAX-UHFFFAOYSA-N 1 0 231.339 3.725 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)o1 ZINC000579988536 411395306 /nfs/dbraw/zinc/39/53/06/411395306.db2.gz LEDYGDDYKCAUFW-KJEVXHAQSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)o1 ZINC000579988537 411394959 /nfs/dbraw/zinc/39/49/59/411394959.db2.gz LEDYGDDYKCAUFW-QPKOPYBWSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)o1 ZINC000579988538 411395552 /nfs/dbraw/zinc/39/55/52/411395552.db2.gz LEDYGDDYKCAUFW-RABLLNBGSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)o1 ZINC000579988539 411394895 /nfs/dbraw/zinc/39/48/95/411394895.db2.gz LEDYGDDYKCAUFW-SDJAHQOYSA-N 1 0 245.366 3.681 20 0 BHADRO CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000580005057 367119412 /nfs/dbraw/zinc/11/94/12/367119412.db2.gz SCDFSCYQRHQPQY-UHFFFAOYSA-N 1 0 239.309 3.601 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000580020461 367127882 /nfs/dbraw/zinc/12/78/82/367127882.db2.gz PNBINPFARGAJHQ-CYBMUJFWSA-N 1 0 247.382 3.632 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000580020465 367127490 /nfs/dbraw/zinc/12/74/90/367127490.db2.gz PNBINPFARGAJHQ-ZDUSSCGKSA-N 1 0 247.382 3.632 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)CC2(C)CC2)c1 ZINC000580027383 367139335 /nfs/dbraw/zinc/13/93/35/367139335.db2.gz ITZRJOBMOIQJBE-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CCC1 ZINC000580055518 346498467 /nfs/dbraw/zinc/49/84/67/346498467.db2.gz WNDNGPOZPQEOIS-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)[C@@H](C)c1ccccc1 ZINC000580055519 346498493 /nfs/dbraw/zinc/49/84/93/346498493.db2.gz WNDNGPOZPQEOIS-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)[C@H](C)c1ccccc1 ZINC000580055520 346498488 /nfs/dbraw/zinc/49/84/88/346498488.db2.gz WNDNGPOZPQEOIS-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)[C@@H](C)c1ccccc1 ZINC000580055521 346498489 /nfs/dbraw/zinc/49/84/89/346498489.db2.gz WNDNGPOZPQEOIS-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO CC1CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000580057201 346499157 /nfs/dbraw/zinc/49/91/57/346499157.db2.gz BCFAGOCHUQLHOI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1cncnc1C)C(C)(C)C ZINC000580095386 346523856 /nfs/dbraw/zinc/52/38/56/346523856.db2.gz RORXXVUNFDKNHO-GXTWGEPZSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1cncnc1C)C(C)(C)C ZINC000580095387 346524041 /nfs/dbraw/zinc/52/40/41/346524041.db2.gz RORXXVUNFDKNHO-JSGCOSHPSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1cncnc1C)C(C)(C)C ZINC000580095388 346523840 /nfs/dbraw/zinc/52/38/40/346523840.db2.gz RORXXVUNFDKNHO-OCCSQVGLSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1cncnc1C)C(C)(C)C ZINC000580095389 346523948 /nfs/dbraw/zinc/52/39/48/346523948.db2.gz RORXXVUNFDKNHO-TZMCWYRMSA-N 1 0 249.402 3.650 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC12CCC2 ZINC000580117110 346540009 /nfs/dbraw/zinc/54/00/09/346540009.db2.gz BWFFNUDOHZSAGM-CYBMUJFWSA-N 1 0 247.357 3.775 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC12CCC2 ZINC000580117111 346540109 /nfs/dbraw/zinc/54/01/09/346540109.db2.gz BWFFNUDOHZSAGM-ZDUSSCGKSA-N 1 0 247.357 3.775 20 0 BHADRO CC[C@H](O)CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000580121152 346541700 /nfs/dbraw/zinc/54/17/00/346541700.db2.gz RFKKWOVVZMEANB-KBPBESRZSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000580121158 346541910 /nfs/dbraw/zinc/54/19/10/346541910.db2.gz RFKKWOVVZMEANB-KGLIPLIRSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](O)CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000580121159 346541529 /nfs/dbraw/zinc/54/15/29/346541529.db2.gz RFKKWOVVZMEANB-UONOGXRCSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000580121160 346541889 /nfs/dbraw/zinc/54/18/89/346541889.db2.gz RFKKWOVVZMEANB-ZIAGYGMSSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1(C)CC1 ZINC000580146507 346556759 /nfs/dbraw/zinc/55/67/59/346556759.db2.gz COZHOPBKODRPOJ-DZGCQCFKSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1(C)CC1 ZINC000580146508 346556881 /nfs/dbraw/zinc/55/68/81/346556881.db2.gz COZHOPBKODRPOJ-HIFRSBDPSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1(C)CC1 ZINC000580146509 346556298 /nfs/dbraw/zinc/55/62/98/346556298.db2.gz COZHOPBKODRPOJ-UKRRQHHQSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1(C)CC1 ZINC000580146510 346556633 /nfs/dbraw/zinc/55/66/33/346556633.db2.gz COZHOPBKODRPOJ-ZFWWWQNUSA-N 1 0 229.367 3.665 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCC(C)(F)F ZINC000580158055 346575479 /nfs/dbraw/zinc/57/54/79/346575479.db2.gz AUVYJNMANJHERU-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000580158056 346575592 /nfs/dbraw/zinc/57/55/92/346575592.db2.gz AUVYJNMANJHERU-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000580179619 346610956 /nfs/dbraw/zinc/61/09/56/346610956.db2.gz WXFKWKZCFSOOIA-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000580179620 346610866 /nfs/dbraw/zinc/61/08/66/346610866.db2.gz WXFKWKZCFSOOIA-IMJJTQAJSA-N 1 0 247.382 3.541 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000580191408 346645583 /nfs/dbraw/zinc/64/55/83/346645583.db2.gz BVZGTEJHEHVKBK-AGIUHOORSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000580191409 346645392 /nfs/dbraw/zinc/64/53/92/346645392.db2.gz BVZGTEJHEHVKBK-FRRDWIJNSA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000580191410 346645377 /nfs/dbraw/zinc/64/53/77/346645377.db2.gz BVZGTEJHEHVKBK-JHJVBQTASA-N 1 0 225.351 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000580191411 346645597 /nfs/dbraw/zinc/64/55/97/346645597.db2.gz BVZGTEJHEHVKBK-UPJWGTAASA-N 1 0 225.351 3.580 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000580191722 346646125 /nfs/dbraw/zinc/64/61/25/346646125.db2.gz VRWKNSIFTQTIRL-BPUTZDHNSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000580191723 346646130 /nfs/dbraw/zinc/64/61/30/346646130.db2.gz VRWKNSIFTQTIRL-CWRNSKLLSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000580191724 346645967 /nfs/dbraw/zinc/64/59/67/346645967.db2.gz VRWKNSIFTQTIRL-IMJJTQAJSA-N 1 0 249.373 3.796 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000580191725 346646171 /nfs/dbraw/zinc/64/61/71/346646171.db2.gz VRWKNSIFTQTIRL-NUEKZKHPSA-N 1 0 249.373 3.796 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)nc1 ZINC000580221011 346720414 /nfs/dbraw/zinc/72/04/14/346720414.db2.gz ICFILFHZBRSVMO-GFCCVEGCSA-N 1 0 234.387 3.510 20 0 BHADRO CCc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)nc1 ZINC000580221012 346720273 /nfs/dbraw/zinc/72/02/73/346720273.db2.gz ICFILFHZBRSVMO-LBPRGKRZSA-N 1 0 234.387 3.510 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000580229759 385436472 /nfs/dbraw/zinc/43/64/72/385436472.db2.gz MYNRVCCFDSPRJN-CYBMUJFWSA-N 1 0 235.346 3.928 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000580229760 385436207 /nfs/dbraw/zinc/43/62/07/385436207.db2.gz MYNRVCCFDSPRJN-ZDUSSCGKSA-N 1 0 235.346 3.928 20 0 BHADRO CC(C)Cc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000580239477 346794714 /nfs/dbraw/zinc/79/47/14/346794714.db2.gz SZYODBKSTTUGKL-CVEARBPZSA-N 1 0 249.373 3.865 20 0 BHADRO CC(C)Cc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000580239479 346794931 /nfs/dbraw/zinc/79/49/31/346794931.db2.gz SZYODBKSTTUGKL-HOTGVXAUSA-N 1 0 249.373 3.865 20 0 BHADRO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000580239480 346794651 /nfs/dbraw/zinc/79/46/51/346794651.db2.gz SZYODBKSTTUGKL-HZPDHXFCSA-N 1 0 249.373 3.865 20 0 BHADRO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000580239481 346794640 /nfs/dbraw/zinc/79/46/40/346794640.db2.gz SZYODBKSTTUGKL-JKSUJKDBSA-N 1 0 249.373 3.865 20 0 BHADRO CC[N@H+](CCCc1ccc(C)cc1)C1CCC1 ZINC000580239544 346794662 /nfs/dbraw/zinc/79/46/62/346794662.db2.gz VXTZLNPIKZYIKA-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000580253167 346798448 /nfs/dbraw/zinc/79/84/48/346798448.db2.gz QCBBSONCWVHQDF-UHFFFAOYSA-N 1 0 221.319 3.532 20 0 BHADRO Fc1ccccc1CC[N@H+](C1CC1)C1CCCC1 ZINC000580268191 346811823 /nfs/dbraw/zinc/81/18/23/346811823.db2.gz SQFDTMQQVACMLP-UHFFFAOYSA-N 1 0 247.357 3.775 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000580280638 346841303 /nfs/dbraw/zinc/84/13/03/346841303.db2.gz OPNCCQBAFGOKAO-GWCFXTLKSA-N 1 0 223.747 3.885 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000580280639 346841430 /nfs/dbraw/zinc/84/14/30/346841430.db2.gz OPNCCQBAFGOKAO-GXFFZTMASA-N 1 0 223.747 3.885 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000580280640 346841312 /nfs/dbraw/zinc/84/13/12/346841312.db2.gz OPNCCQBAFGOKAO-MFKMUULPSA-N 1 0 223.747 3.885 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000580280641 346841152 /nfs/dbraw/zinc/84/11/52/346841152.db2.gz OPNCCQBAFGOKAO-ZWNOBZJWSA-N 1 0 223.747 3.885 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)C1CCC1 ZINC000580281325 346840616 /nfs/dbraw/zinc/84/06/16/346840616.db2.gz CROKNOARMUSILJ-LLVKDONJSA-N 1 0 237.412 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)C1CCC1 ZINC000580281326 346840202 /nfs/dbraw/zinc/84/02/02/346840202.db2.gz CROKNOARMUSILJ-NSHDSACASA-N 1 0 237.412 3.847 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000580284798 346853465 /nfs/dbraw/zinc/85/34/65/346853465.db2.gz CXGQPKCHBOSZNP-GFCCVEGCSA-N 1 0 247.382 3.631 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000580284799 346854149 /nfs/dbraw/zinc/85/41/49/346854149.db2.gz CXGQPKCHBOSZNP-LBPRGKRZSA-N 1 0 247.382 3.631 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000580339038 352552014 /nfs/dbraw/zinc/55/20/14/352552014.db2.gz JBQZCGHUPRLXBA-CYBMUJFWSA-N 1 0 215.356 3.781 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCCCCF ZINC000580339039 352552157 /nfs/dbraw/zinc/55/21/57/352552157.db2.gz JBQZCGHUPRLXBA-ZDUSSCGKSA-N 1 0 215.356 3.781 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000580341213 353712564 /nfs/dbraw/zinc/71/25/64/353712564.db2.gz RJLPBIZEIIQIOZ-KRWDZBQOSA-N 1 0 241.378 3.961 20 0 BHADRO C=Cc1ccc(CC[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000580341214 353712674 /nfs/dbraw/zinc/71/26/74/353712674.db2.gz RJLPBIZEIIQIOZ-QGZVFWFLSA-N 1 0 241.378 3.961 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000580363754 356433989 /nfs/dbraw/zinc/43/39/89/356433989.db2.gz MPJDPEZVTSKYCO-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000580363755 356433807 /nfs/dbraw/zinc/43/38/07/356433807.db2.gz MPJDPEZVTSKYCO-DRPJVOAASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000580363756 356434029 /nfs/dbraw/zinc/43/40/29/356434029.db2.gz MPJDPEZVTSKYCO-QCEMKRCNSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000580363757 356434417 /nfs/dbraw/zinc/43/44/17/356434417.db2.gz MPJDPEZVTSKYCO-SYAUCNOPSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000580364595 356434966 /nfs/dbraw/zinc/43/49/66/356434966.db2.gz VPXFSAZMUURYCK-CVEARBPZSA-N 1 0 249.373 3.833 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000580364596 356435196 /nfs/dbraw/zinc/43/51/96/356435196.db2.gz VPXFSAZMUURYCK-HOTGVXAUSA-N 1 0 249.373 3.833 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000580364597 356435071 /nfs/dbraw/zinc/43/50/71/356435071.db2.gz VPXFSAZMUURYCK-HZPDHXFCSA-N 1 0 249.373 3.833 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000580364598 356434870 /nfs/dbraw/zinc/43/48/70/356434870.db2.gz VPXFSAZMUURYCK-JKSUJKDBSA-N 1 0 249.373 3.833 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCCc2occc2C1 ZINC000580379062 356437058 /nfs/dbraw/zinc/43/70/58/356437058.db2.gz KYEOHAGJOXOZRX-UHFFFAOYSA-N 1 0 247.363 3.598 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCOCC1CCC1 ZINC000580386936 356443439 /nfs/dbraw/zinc/44/34/39/356443439.db2.gz HGNUBZSBJHCGRQ-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000580386937 356443380 /nfs/dbraw/zinc/44/33/80/356443380.db2.gz HGNUBZSBJHCGRQ-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO Cc1cc(C)c(CC[NH2+]CC2(C)CC2)c(C)c1 ZINC000580390794 356446787 /nfs/dbraw/zinc/44/67/87/356446787.db2.gz UPFYVUGOIQDFSE-UHFFFAOYSA-N 1 0 231.383 3.544 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000580423791 359538271 /nfs/dbraw/zinc/53/82/71/359538271.db2.gz YGGWYWAIQAUXFM-CABCVRRESA-N 1 0 249.423 3.933 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000580423792 359538159 /nfs/dbraw/zinc/53/81/59/359538159.db2.gz YGGWYWAIQAUXFM-GJZGRUSLSA-N 1 0 249.423 3.933 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000580423793 491074864 /nfs/dbraw/zinc/07/48/64/491074864.db2.gz YGGWYWAIQAUXFM-HUUCEWRRSA-N 1 0 249.423 3.933 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000580423794 359537712 /nfs/dbraw/zinc/53/77/12/359537712.db2.gz YGGWYWAIQAUXFM-LSDHHAIUSA-N 1 0 249.423 3.933 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccc(SC)cc1 ZINC000580425240 359538779 /nfs/dbraw/zinc/53/87/79/359538779.db2.gz XMHJZJSTUYDANC-DZGCQCFKSA-N 1 0 249.423 3.729 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(SC)cc1 ZINC000580425241 359538737 /nfs/dbraw/zinc/53/87/37/359538737.db2.gz XMHJZJSTUYDANC-HIFRSBDPSA-N 1 0 249.423 3.729 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc(SC)cc1 ZINC000580425242 359538773 /nfs/dbraw/zinc/53/87/73/359538773.db2.gz XMHJZJSTUYDANC-UKRRQHHQSA-N 1 0 249.423 3.729 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc(SC)cc1 ZINC000580425243 359539226 /nfs/dbraw/zinc/53/92/26/359539226.db2.gz XMHJZJSTUYDANC-ZFWWWQNUSA-N 1 0 249.423 3.729 20 0 BHADRO C[N@H+](CCCCOc1ccccc1)C(C)(C)C ZINC000580428495 359546651 /nfs/dbraw/zinc/54/66/51/359546651.db2.gz OYIWFHWSHMOJOE-UHFFFAOYSA-N 1 0 235.371 3.576 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1sccc1OC ZINC000580442174 359551441 /nfs/dbraw/zinc/55/14/41/359551441.db2.gz FBASQTDUIDFYMP-LLVKDONJSA-N 1 0 241.400 3.767 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1sccc1OC ZINC000580442175 359551488 /nfs/dbraw/zinc/55/14/88/359551488.db2.gz FBASQTDUIDFYMP-NSHDSACASA-N 1 0 241.400 3.767 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000580452457 359559360 /nfs/dbraw/zinc/55/93/60/359559360.db2.gz VQWIRNJHBMRWKQ-SECBINFHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000580452458 359559586 /nfs/dbraw/zinc/55/95/86/359559586.db2.gz VQWIRNJHBMRWKQ-VIFPVBQESA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000580458240 359565818 /nfs/dbraw/zinc/56/58/18/359565818.db2.gz HLFDXADLZYJSSS-MCIONIFRSA-N 1 0 239.309 3.757 20 0 BHADRO CC(C)C1([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000580469987 411232180 /nfs/dbraw/zinc/23/21/80/411232180.db2.gz SIADJWXIEXZWFI-GFCCVEGCSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000580469988 411232142 /nfs/dbraw/zinc/23/21/42/411232142.db2.gz SIADJWXIEXZWFI-LBPRGKRZSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)C1([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000580471609 359572122 /nfs/dbraw/zinc/57/21/22/359572122.db2.gz ZLFWOIPCDOULRA-GFCCVEGCSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000580471610 359572114 /nfs/dbraw/zinc/57/21/14/359572114.db2.gz ZLFWOIPCDOULRA-LBPRGKRZSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1ccc(C[NH2+]CCC2(F)CCC2)cc1C ZINC000580492733 359739561 /nfs/dbraw/zinc/73/95/61/359739561.db2.gz SOGPSUFRWOLTFA-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO Clc1ccc(C[NH+]2CC(C3CCC3)C2)cc1 ZINC000580498575 359751978 /nfs/dbraw/zinc/75/19/78/359751978.db2.gz VXDICKLTEBVQMB-UHFFFAOYSA-N 1 0 235.758 3.572 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000580531681 365330979 /nfs/dbraw/zinc/33/09/79/365330979.db2.gz MYGSNQSYPJMOHV-UHFFFAOYSA-N 1 0 246.398 3.629 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000580563539 365781226 /nfs/dbraw/zinc/78/12/26/365781226.db2.gz ZCBITMQJBHOVLJ-AVGNSLFASA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000580563540 365782090 /nfs/dbraw/zinc/78/20/90/365782090.db2.gz ZCBITMQJBHOVLJ-RWMBFGLXSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000580563541 365781340 /nfs/dbraw/zinc/78/13/40/365781340.db2.gz ZCBITMQJBHOVLJ-XQQFMLRXSA-N 1 0 215.356 3.681 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000580563542 365781661 /nfs/dbraw/zinc/78/16/61/365781661.db2.gz ZCBITMQJBHOVLJ-YNEHKIRRSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[N@H+](Cc1csc(C(C)C)n1)C(C)C ZINC000580566833 365771825 /nfs/dbraw/zinc/77/18/25/365771825.db2.gz HCJZHGZKKATUDH-UHFFFAOYSA-N 1 0 240.416 3.887 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCC1(F)F ZINC000580576953 365789490 /nfs/dbraw/zinc/78/94/90/365789490.db2.gz ATUUDCSETXGCSX-CHWSQXEVSA-N 1 0 243.341 3.852 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CCC1(F)F ZINC000580576954 365789465 /nfs/dbraw/zinc/78/94/65/365789465.db2.gz ATUUDCSETXGCSX-OLZOCXBDSA-N 1 0 243.341 3.852 20 0 BHADRO C[C@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCC1(F)F ZINC000580576955 365789382 /nfs/dbraw/zinc/78/93/82/365789382.db2.gz ATUUDCSETXGCSX-QWHCGFSZSA-N 1 0 243.341 3.852 20 0 BHADRO C[C@H]1C[N@@H+]([C@H]2C=CCCCCC2)CCC1(F)F ZINC000580576956 365789054 /nfs/dbraw/zinc/78/90/54/365789054.db2.gz ATUUDCSETXGCSX-STQMWFEESA-N 1 0 243.341 3.852 20 0 BHADRO CC(C)Cc1cccc([C@@H](C)[NH2+]CCCF)c1 ZINC000580588361 365798651 /nfs/dbraw/zinc/79/86/51/365798651.db2.gz HKJXEMRQXWIKAT-CYBMUJFWSA-N 1 0 237.362 3.895 20 0 BHADRO CC(C)Cc1cccc([C@H](C)[NH2+]CCCF)c1 ZINC000580588362 365799104 /nfs/dbraw/zinc/79/91/04/365799104.db2.gz HKJXEMRQXWIKAT-ZDUSSCGKSA-N 1 0 237.362 3.895 20 0 BHADRO CCC[N@H+](Cc1ccc(C)cc1C)C1CC1 ZINC000580596706 365805209 /nfs/dbraw/zinc/80/52/09/365805209.db2.gz FGSLBBADKNKCSG-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000580600182 365808049 /nfs/dbraw/zinc/80/80/49/365808049.db2.gz BAFGOSCFUBGZNJ-AVGNSLFASA-N 1 0 239.309 3.627 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000580600183 365808186 /nfs/dbraw/zinc/80/81/86/365808186.db2.gz BAFGOSCFUBGZNJ-RWMBFGLXSA-N 1 0 239.309 3.627 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000580646444 365842013 /nfs/dbraw/zinc/84/20/13/365842013.db2.gz KUOMGKYJJQIVJH-KBPBESRZSA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000580646447 365841087 /nfs/dbraw/zinc/84/10/87/365841087.db2.gz KUOMGKYJJQIVJH-KGLIPLIRSA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000580646449 365841802 /nfs/dbraw/zinc/84/18/02/365841802.db2.gz KUOMGKYJJQIVJH-UONOGXRCSA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000580646450 365841909 /nfs/dbraw/zinc/84/19/09/365841909.db2.gz KUOMGKYJJQIVJH-ZIAGYGMSSA-N 1 0 235.346 3.674 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc2c(c1)COC2 ZINC000580660944 365857751 /nfs/dbraw/zinc/85/77/51/365857751.db2.gz XVFUFECUXSAFJH-LLVKDONJSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc2c(c1)COC2 ZINC000580660945 365857805 /nfs/dbraw/zinc/85/78/05/365857805.db2.gz XVFUFECUXSAFJH-NSHDSACASA-N 1 0 245.366 3.556 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000580664238 365860900 /nfs/dbraw/zinc/86/09/00/365860900.db2.gz HIMYQLNHERLAFO-CYBMUJFWSA-N 1 0 233.330 3.593 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000580664239 365860917 /nfs/dbraw/zinc/86/09/17/365860917.db2.gz HIMYQLNHERLAFO-ZDUSSCGKSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@H]1C[C@@H]1C ZINC000580679451 365873620 /nfs/dbraw/zinc/87/36/20/365873620.db2.gz XVULTFPOQFXHAT-GZBFAFLISA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000580679452 365873865 /nfs/dbraw/zinc/87/38/65/365873865.db2.gz XVULTFPOQFXHAT-KCQAQPDRSA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@H]1C[C@H]1C ZINC000580679453 365873773 /nfs/dbraw/zinc/87/37/73/365873773.db2.gz XVULTFPOQFXHAT-UMVBOHGHSA-N 1 0 247.382 3.734 20 0 BHADRO CC[C@H](c1ccccc1OC)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000580679454 365874031 /nfs/dbraw/zinc/87/40/31/365874031.db2.gz XVULTFPOQFXHAT-VNHYZAJKSA-N 1 0 247.382 3.734 20 0 BHADRO Clc1csc(C[NH+]2C3CCC2CC3)c1 ZINC000580686826 365878949 /nfs/dbraw/zinc/87/89/49/365878949.db2.gz AEWSYLUYLKPWBJ-UHFFFAOYSA-N 1 0 227.760 3.528 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000580686924 365879632 /nfs/dbraw/zinc/87/96/32/365879632.db2.gz WLEATZLAXJWQCN-AWEZNQCLSA-N 1 0 215.340 3.624 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000580686925 365879338 /nfs/dbraw/zinc/87/93/38/365879338.db2.gz WLEATZLAXJWQCN-CQSZACIVSA-N 1 0 215.340 3.624 20 0 BHADRO CC1(C[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000580690621 365893825 /nfs/dbraw/zinc/89/38/25/365893825.db2.gz BBTCRIOGQFWQAY-UHFFFAOYSA-N 1 0 233.330 3.590 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1cncnc1C ZINC000580724168 366252768 /nfs/dbraw/zinc/25/27/68/366252768.db2.gz ADWHVWQEJPLJIF-GFCCVEGCSA-N 1 0 249.402 3.652 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1cncnc1C ZINC000580724170 366252654 /nfs/dbraw/zinc/25/26/54/366252654.db2.gz ADWHVWQEJPLJIF-LBPRGKRZSA-N 1 0 249.402 3.652 20 0 BHADRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)ccc1C ZINC000580753970 367155524 /nfs/dbraw/zinc/15/55/24/367155524.db2.gz XHNFHRITDNINLC-DOMZBBRYSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1C ZINC000580753971 367155465 /nfs/dbraw/zinc/15/54/65/367155465.db2.gz XHNFHRITDNINLC-IUODEOHRSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)ccc1C ZINC000580753972 367155505 /nfs/dbraw/zinc/15/55/05/367155505.db2.gz XHNFHRITDNINLC-SWLSCSKDSA-N 1 0 247.382 3.624 20 0 BHADRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)ccc1C ZINC000580753973 367155931 /nfs/dbraw/zinc/15/59/31/367155931.db2.gz XHNFHRITDNINLC-WFASDCNBSA-N 1 0 247.382 3.624 20 0 BHADRO Cc1cnccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000580754747 367155697 /nfs/dbraw/zinc/15/56/97/367155697.db2.gz COXOQNMAZPQEJR-FMKPAKJESA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cnccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000580754749 367156026 /nfs/dbraw/zinc/15/60/26/367156026.db2.gz COXOQNMAZPQEJR-IIAWOOMASA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cnccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000580754750 343324204 /nfs/dbraw/zinc/32/42/04/343324204.db2.gz COXOQNMAZPQEJR-IJEWVQPXSA-N 1 0 244.382 3.543 20 0 BHADRO Cc1cnccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000580754751 343324405 /nfs/dbraw/zinc/32/44/05/343324405.db2.gz COXOQNMAZPQEJR-YCPHGPKFSA-N 1 0 244.382 3.543 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000580765419 367160168 /nfs/dbraw/zinc/16/01/68/367160168.db2.gz KZTUTPUUYDKDMH-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000580765420 367160277 /nfs/dbraw/zinc/16/02/77/367160277.db2.gz KZTUTPUUYDKDMH-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000580785349 367166249 /nfs/dbraw/zinc/16/62/49/367166249.db2.gz AVPKYOVLCUKMBC-AWEZNQCLSA-N 1 0 247.407 3.831 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000580785351 367166228 /nfs/dbraw/zinc/16/62/28/367166228.db2.gz AVPKYOVLCUKMBC-CQSZACIVSA-N 1 0 247.407 3.831 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000580785802 367166574 /nfs/dbraw/zinc/16/65/74/367166574.db2.gz OYHKZFNCHXMZPR-BSLXNSKLSA-N 1 0 249.785 3.659 20 0 BHADRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000580785803 367166313 /nfs/dbraw/zinc/16/63/13/367166313.db2.gz OYHKZFNCHXMZPR-HPEDKQMDSA-N 1 0 249.785 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000580785804 367166526 /nfs/dbraw/zinc/16/65/26/367166526.db2.gz OYHKZFNCHXMZPR-QPKOPYBWSA-N 1 0 249.785 3.659 20 0 BHADRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000580785805 367166604 /nfs/dbraw/zinc/16/66/04/367166604.db2.gz OYHKZFNCHXMZPR-RABLLNBGSA-N 1 0 249.785 3.659 20 0 BHADRO c1ccc(C2CC(C[NH2+]C3CCCC3)C2)cc1 ZINC000580786402 367167703 /nfs/dbraw/zinc/16/77/03/367167703.db2.gz CWZZLPHFVTXLEB-UHFFFAOYSA-N 1 0 229.367 3.712 20 0 BHADRO CCC(CC)[N@H+](CCOC1CCC1)CC(C)C ZINC000580792065 367167830 /nfs/dbraw/zinc/16/78/30/367167830.db2.gz RVLCVNFMLAANAQ-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO COc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)ccc1C ZINC000580813603 367174526 /nfs/dbraw/zinc/17/45/26/367174526.db2.gz GVNQVZUSNFSQLE-NNUKFRKNSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000580814211 367174165 /nfs/dbraw/zinc/17/41/65/367174165.db2.gz XIQCGMLALWOVPB-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000580814212 367174544 /nfs/dbraw/zinc/17/45/44/367174544.db2.gz XIQCGMLALWOVPB-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000580814213 367174369 /nfs/dbraw/zinc/17/43/69/367174369.db2.gz XTLAJZQTTHOIGC-BARDWOONSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000580814214 367174283 /nfs/dbraw/zinc/17/42/83/367174283.db2.gz XTLAJZQTTHOIGC-LJISPDSOSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000580833217 367181378 /nfs/dbraw/zinc/18/13/78/367181378.db2.gz BBQYNLRTAVRSNI-QJPTWQEYSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000580833218 367181045 /nfs/dbraw/zinc/18/10/45/367181045.db2.gz BBQYNLRTAVRSNI-SDDRHHMPSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000580833219 367180674 /nfs/dbraw/zinc/18/06/74/367180674.db2.gz BBQYNLRTAVRSNI-SRVKXCTJSA-N 1 0 241.375 3.988 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000580833220 367181120 /nfs/dbraw/zinc/18/11/20/367181120.db2.gz BBQYNLRTAVRSNI-TUAOUCFPSA-N 1 0 241.375 3.988 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000580839242 367183810 /nfs/dbraw/zinc/18/38/10/367183810.db2.gz ONBNPKMUEMAPQV-BMFZPTHFSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000580839243 367183616 /nfs/dbraw/zinc/18/36/16/367183616.db2.gz ONBNPKMUEMAPQV-FVQBIDKESA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000580839244 367183653 /nfs/dbraw/zinc/18/36/53/367183653.db2.gz ONBNPKMUEMAPQV-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000580839245 367184198 /nfs/dbraw/zinc/18/41/98/367184198.db2.gz ONBNPKMUEMAPQV-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CSCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000580866557 367190227 /nfs/dbraw/zinc/19/02/27/367190227.db2.gz WFJGMTGZMDGCDK-HNNXBMFYSA-N 1 0 249.423 3.967 20 0 BHADRO CSCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000580866558 367189753 /nfs/dbraw/zinc/18/97/53/367189753.db2.gz WFJGMTGZMDGCDK-OAHLLOKOSA-N 1 0 249.423 3.967 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000580880426 367194674 /nfs/dbraw/zinc/19/46/74/367194674.db2.gz IOQVFZXFMZNLOJ-BBWFWOEESA-N 1 0 243.394 3.624 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000580880427 367195162 /nfs/dbraw/zinc/19/51/62/367195162.db2.gz IOQVFZXFMZNLOJ-GVDBMIGSSA-N 1 0 243.394 3.624 20 0 BHADRO CC1([NH2+]Cc2ccc(C3CCC3)cc2)CCC1 ZINC000580880893 367196910 /nfs/dbraw/zinc/19/69/10/367196910.db2.gz OTTBQQULDHCVQI-UHFFFAOYSA-N 1 0 229.367 3.986 20 0 BHADRO CC(C)O[C@@H](C[N@H+](C)C(C)(C)C)c1ccccc1 ZINC000580890325 350824488 /nfs/dbraw/zinc/82/44/88/350824488.db2.gz KQZZPCYOMBDWOQ-HNNXBMFYSA-N 1 0 249.398 3.883 20 0 BHADRO CC(C)O[C@H](C[N@H+](C)C(C)(C)C)c1ccccc1 ZINC000580890328 350824876 /nfs/dbraw/zinc/82/48/76/350824876.db2.gz KQZZPCYOMBDWOQ-OAHLLOKOSA-N 1 0 249.398 3.883 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000580908218 367203944 /nfs/dbraw/zinc/20/39/44/367203944.db2.gz VANNNHUFJALXLX-CYBMUJFWSA-N 1 0 237.293 3.553 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000580908219 367203456 /nfs/dbraw/zinc/20/34/56/367203456.db2.gz VANNNHUFJALXLX-ZDUSSCGKSA-N 1 0 237.293 3.553 20 0 BHADRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)cc(C)c1O ZINC000580911781 367205675 /nfs/dbraw/zinc/20/56/75/367205675.db2.gz AZBFVTQYZALORM-UHFFFAOYSA-N 1 0 247.382 3.629 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCc1ccc(OC)cc1 ZINC000580920958 367205261 /nfs/dbraw/zinc/20/52/61/367205261.db2.gz SWTKEEWUSRIXKT-AWEZNQCLSA-N 1 0 249.398 3.748 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCc1ccc(OC)cc1 ZINC000580920966 367205000 /nfs/dbraw/zinc/20/50/00/367205000.db2.gz SWTKEEWUSRIXKT-CQSZACIVSA-N 1 0 249.398 3.748 20 0 BHADRO C[N@H+](C/C=C/c1ccc(F)cc1)C(C)(C)C ZINC000580952930 350914696 /nfs/dbraw/zinc/91/46/96/350914696.db2.gz CSNAYZNWODOUBY-AATRIKPKSA-N 1 0 221.319 3.569 20 0 BHADRO C[N@H+](C/C=C\c1ccc(F)cc1)C(C)(C)C ZINC000580952931 350914605 /nfs/dbraw/zinc/91/46/05/350914605.db2.gz CSNAYZNWODOUBY-WAYWQWQTSA-N 1 0 221.319 3.569 20 0 BHADRO CC(C)CCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000580960570 367217925 /nfs/dbraw/zinc/21/79/25/367217925.db2.gz RBEOETRJRIRLTK-UHFFFAOYSA-N 1 0 244.382 3.607 20 0 BHADRO CC1(C)CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000580963995 367220636 /nfs/dbraw/zinc/22/06/36/367220636.db2.gz WJTDOUYOVSNEPP-DCAQKATOSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000580963996 367221036 /nfs/dbraw/zinc/22/10/36/367221036.db2.gz WJTDOUYOVSNEPP-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC1(C)C ZINC000580966557 367221306 /nfs/dbraw/zinc/22/13/06/367221306.db2.gz DOSUJLJYRJZNKT-KBPBESRZSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCC1(C)C ZINC000580966558 367220943 /nfs/dbraw/zinc/22/09/43/367220943.db2.gz DOSUJLJYRJZNKT-KGLIPLIRSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC1(C)C ZINC000580966559 367220742 /nfs/dbraw/zinc/22/07/42/367220742.db2.gz DOSUJLJYRJZNKT-UONOGXRCSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCC1(C)C ZINC000580966560 367221549 /nfs/dbraw/zinc/22/15/49/367221549.db2.gz DOSUJLJYRJZNKT-ZIAGYGMSSA-N 1 0 246.398 3.867 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)c1ncccc1C ZINC000580982799 367224279 /nfs/dbraw/zinc/22/42/79/367224279.db2.gz ZJJYZPMPSUUAJP-AWEZNQCLSA-N 1 0 248.414 3.836 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)c1ncccc1C ZINC000580982803 367224175 /nfs/dbraw/zinc/22/41/75/367224175.db2.gz ZJJYZPMPSUUAJP-CQSZACIVSA-N 1 0 248.414 3.836 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]C1(CF)CCC1 ZINC000581011335 367233787 /nfs/dbraw/zinc/23/37/87/367233787.db2.gz OEHWEDHOMWWVGQ-UHFFFAOYSA-N 1 0 241.737 3.630 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581011563 367234074 /nfs/dbraw/zinc/23/40/74/367234074.db2.gz LNZAIDYAMZBQBQ-BJDJZHNGSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581011567 367233662 /nfs/dbraw/zinc/23/36/62/367233662.db2.gz LNZAIDYAMZBQBQ-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581011568 367234613 /nfs/dbraw/zinc/23/46/13/367234613.db2.gz LNZAIDYAMZBQBQ-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581011569 367234427 /nfs/dbraw/zinc/23/44/27/367234427.db2.gz LNZAIDYAMZBQBQ-YFKTTZPYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1(CF)CCC1)[C@@H](C)c1ccccc1 ZINC000581012674 355842586 /nfs/dbraw/zinc/84/25/86/355842586.db2.gz LEWXDLABCJGCLR-CHWSQXEVSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H]([NH2+]C1(CF)CCC1)[C@@H](C)c1ccccc1 ZINC000581012678 355842298 /nfs/dbraw/zinc/84/22/98/355842298.db2.gz LEWXDLABCJGCLR-OLZOCXBDSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H]([NH2+]C1(CF)CCC1)[C@H](C)c1ccccc1 ZINC000581012681 355842329 /nfs/dbraw/zinc/84/23/29/355842329.db2.gz LEWXDLABCJGCLR-QWHCGFSZSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1(CF)CCC1 ZINC000581012683 355842423 /nfs/dbraw/zinc/84/24/23/355842423.db2.gz LEWXDLABCJGCLR-STQMWFEESA-N 1 0 235.346 3.660 20 0 BHADRO COCC1(CC[NH2+]C2CCCCCC2)CCC1 ZINC000581025535 367241539 /nfs/dbraw/zinc/24/15/39/367241539.db2.gz KNVYIBXSZZYTOM-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Fc1cccc(CC2CC[NH+](C3CCC3)CC2)c1 ZINC000581028366 367241792 /nfs/dbraw/zinc/24/17/92/367241792.db2.gz XGMGMGJOLGOTMT-UHFFFAOYSA-N 1 0 247.357 3.633 20 0 BHADRO CCC[C@H](C)C[N@H+](CCC)CCc1ccccn1 ZINC000581039135 367242523 /nfs/dbraw/zinc/24/25/23/367242523.db2.gz NUVPSSAYKBGPHY-HNNXBMFYSA-N 1 0 248.414 3.772 20 0 BHADRO CCC[C@@H](C)C[N@H+](CCC)CCc1ccccn1 ZINC000581039136 367243262 /nfs/dbraw/zinc/24/32/62/367243262.db2.gz NUVPSSAYKBGPHY-OAHLLOKOSA-N 1 0 248.414 3.772 20 0 BHADRO Cc1cccc(C[NH+]2CCC3(CCCC3)CC2)n1 ZINC000581039165 367243021 /nfs/dbraw/zinc/24/30/21/367243021.db2.gz PAQAQFHTNAJMME-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCCOc1cc(C)ccc1C[NH2+]CC1(C)CC1 ZINC000581047412 367244716 /nfs/dbraw/zinc/24/47/16/367244716.db2.gz SPFVSXNSWISSGT-UHFFFAOYSA-N 1 0 247.382 3.674 20 0 BHADRO CCN(CC1CCC1)c1ccccc1C ZINC000581050635 367245186 /nfs/dbraw/zinc/24/51/86/367245186.db2.gz HKPVKUOVXQUARJ-UHFFFAOYSA-N 1 0 203.329 3.621 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581052307 367246042 /nfs/dbraw/zinc/24/60/42/367246042.db2.gz KOVHPNPDRJSPLU-WDNDVIMCSA-N 1 0 241.419 3.604 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000581081754 367258332 /nfs/dbraw/zinc/25/83/32/367258332.db2.gz DBWQUWGYXAOSKA-AGGWBTHJSA-N 1 0 243.375 3.789 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000581081756 367258877 /nfs/dbraw/zinc/25/88/77/367258877.db2.gz DBWQUWGYXAOSKA-NHAGDIPZSA-N 1 0 243.375 3.789 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000581081757 367258814 /nfs/dbraw/zinc/25/88/14/367258814.db2.gz FHDFLWBGYONRPL-GFCCVEGCSA-N 1 0 249.402 3.652 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000581081762 367258687 /nfs/dbraw/zinc/25/86/87/367258687.db2.gz FHDFLWBGYONRPL-LBPRGKRZSA-N 1 0 249.402 3.652 20 0 BHADRO CCC(CC)C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581083944 367260573 /nfs/dbraw/zinc/26/05/73/367260573.db2.gz PFEAAVNNZLPRMZ-AGGWBTHJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000581083945 367260696 /nfs/dbraw/zinc/26/06/96/367260696.db2.gz PFEAAVNNZLPRMZ-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(CC)C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000581083946 367260474 /nfs/dbraw/zinc/26/04/74/367260474.db2.gz PFEAAVNNZLPRMZ-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO COc1cccc(C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000581085647 367260709 /nfs/dbraw/zinc/26/07/09/367260709.db2.gz SVGWLLLXUBUZHZ-UHFFFAOYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000581088548 367259939 /nfs/dbraw/zinc/25/99/39/367259939.db2.gz CAJQFVXFEJLDIB-IJLUTSLNSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000581088549 367260539 /nfs/dbraw/zinc/26/05/39/367260539.db2.gz CAJQFVXFEJLDIB-QJPTWQEYSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000581088550 367260910 /nfs/dbraw/zinc/26/09/10/367260910.db2.gz CAJQFVXFEJLDIB-TUAOUCFPSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000581088551 367260269 /nfs/dbraw/zinc/26/02/69/367260269.db2.gz CAJQFVXFEJLDIB-UTUOFQBUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccncc1 ZINC000581113716 367265901 /nfs/dbraw/zinc/26/59/01/367265901.db2.gz JVUPYAPRZXTBJS-INIZCTEOSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccncc1 ZINC000581113717 367265489 /nfs/dbraw/zinc/26/54/89/367265489.db2.gz JVUPYAPRZXTBJS-MRXNPFEDSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000581144665 367277626 /nfs/dbraw/zinc/27/76/26/367277626.db2.gz RJUTZANIAKHENP-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000581144667 367277270 /nfs/dbraw/zinc/27/72/70/367277270.db2.gz RJUTZANIAKHENP-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000581173469 367282759 /nfs/dbraw/zinc/28/27/59/367282759.db2.gz JKMWQPAUJIVUDB-JTQLQIEISA-N 1 0 233.346 3.979 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000581173473 367282256 /nfs/dbraw/zinc/28/22/56/367282256.db2.gz JKMWQPAUJIVUDB-SNVBAGLBSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000581242159 347315973 /nfs/dbraw/zinc/31/59/73/347315973.db2.gz UKNYITPVPUPQND-KMUNFCNLSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000581242167 347315899 /nfs/dbraw/zinc/31/58/99/347315899.db2.gz UKNYITPVPUPQND-ONERCXAPSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000581242168 347316012 /nfs/dbraw/zinc/31/60/12/347316012.db2.gz UKNYITPVPUPQND-VCTAVGKDSA-N 1 0 233.330 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000581242169 347316070 /nfs/dbraw/zinc/31/60/70/347316070.db2.gz UKNYITPVPUPQND-WKPIXPDZSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1F ZINC000581250437 367309526 /nfs/dbraw/zinc/30/95/26/367309526.db2.gz GWPCBDAJFVRJBV-CHWSQXEVSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1F ZINC000581250443 367309210 /nfs/dbraw/zinc/30/92/10/367309210.db2.gz GWPCBDAJFVRJBV-OLZOCXBDSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1F ZINC000581250444 367309461 /nfs/dbraw/zinc/30/94/61/367309461.db2.gz GWPCBDAJFVRJBV-QWHCGFSZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)c1F ZINC000581250446 367309612 /nfs/dbraw/zinc/30/96/12/367309612.db2.gz GWPCBDAJFVRJBV-STQMWFEESA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccccc1OCCC[NH2+]C1(C(C)C)CC1 ZINC000581263230 367314539 /nfs/dbraw/zinc/31/45/39/367314539.db2.gz FSOMKSSNSXGFIV-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(C)c1 ZINC000581266638 367315475 /nfs/dbraw/zinc/31/54/75/367315475.db2.gz BHLNFIPKMMFZMD-HNNXBMFYSA-N 1 0 229.367 3.978 20 0 BHADRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(C)c1 ZINC000581266639 367314428 /nfs/dbraw/zinc/31/44/28/367314428.db2.gz BHLNFIPKMMFZMD-OAHLLOKOSA-N 1 0 229.367 3.978 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1nccc2ccccc21 ZINC000581280574 367316561 /nfs/dbraw/zinc/31/65/61/367316561.db2.gz VGUZXFASQHQVCV-HUBLWGQQSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1nccc2ccccc21 ZINC000581280576 367316472 /nfs/dbraw/zinc/31/64/72/367316472.db2.gz VGUZXFASQHQVCV-SLEUVZQESA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1nccc2ccccc21 ZINC000581280577 367316048 /nfs/dbraw/zinc/31/60/48/367316048.db2.gz VGUZXFASQHQVCV-TYNCELHUSA-N 1 0 240.350 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1nccc2ccccc21 ZINC000581280578 367316510 /nfs/dbraw/zinc/31/65/10/367316510.db2.gz VGUZXFASQHQVCV-XUJVJEKNSA-N 1 0 240.350 3.684 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000581286119 367317406 /nfs/dbraw/zinc/31/74/06/367317406.db2.gz CTBSIJPJPQXOQH-UHFFFAOYSA-N 1 0 248.345 3.831 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000581286794 388572067 /nfs/dbraw/zinc/57/20/67/388572067.db2.gz KXWLDPJTJXNORL-LLVKDONJSA-N 1 0 221.369 3.685 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000581286801 388572042 /nfs/dbraw/zinc/57/20/42/388572042.db2.gz KXWLDPJTJXNORL-NSHDSACASA-N 1 0 221.369 3.685 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000581298091 367325920 /nfs/dbraw/zinc/32/59/20/367325920.db2.gz CYNCOGXDTFWLEZ-BPUTZDHNSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000581298092 367326878 /nfs/dbraw/zinc/32/68/78/367326878.db2.gz CYNCOGXDTFWLEZ-KBMXLJTQSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1ncc(C)cc1C ZINC000581307768 367336187 /nfs/dbraw/zinc/33/61/87/367336187.db2.gz DMRXZEMEQIWUGA-CABCVRRESA-N 1 0 246.398 3.504 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1ncc(C)cc1C ZINC000581307769 367336994 /nfs/dbraw/zinc/33/69/94/367336994.db2.gz DMRXZEMEQIWUGA-GJZGRUSLSA-N 1 0 246.398 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1ncc(C)cc1C ZINC000581307770 367336422 /nfs/dbraw/zinc/33/64/22/367336422.db2.gz DMRXZEMEQIWUGA-HUUCEWRRSA-N 1 0 246.398 3.504 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ncc(C)cc1C ZINC000581307771 367336545 /nfs/dbraw/zinc/33/65/45/367336545.db2.gz DMRXZEMEQIWUGA-LSDHHAIUSA-N 1 0 246.398 3.504 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000581322258 367349027 /nfs/dbraw/zinc/34/90/27/367349027.db2.gz RKOXMRVQHOKEGU-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CCCC13CC3)CC2 ZINC000581322259 367348679 /nfs/dbraw/zinc/34/86/79/367348679.db2.gz RKOXMRVQHOKEGU-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000581333406 367354797 /nfs/dbraw/zinc/35/47/97/367354797.db2.gz DHLRSWXSPKKOOK-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000581333407 367355159 /nfs/dbraw/zinc/35/51/59/367355159.db2.gz DHLRSWXSPKKOOK-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000581333408 367355415 /nfs/dbraw/zinc/35/54/15/367355415.db2.gz DHLRSWXSPKKOOK-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000581333409 367354722 /nfs/dbraw/zinc/35/47/22/367354722.db2.gz DHLRSWXSPKKOOK-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000581333470 367354785 /nfs/dbraw/zinc/35/47/85/367354785.db2.gz HSRYHNDIMQJBLJ-AWEZNQCLSA-N 1 0 233.330 3.581 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000581333471 367354710 /nfs/dbraw/zinc/35/47/10/367354710.db2.gz HSRYHNDIMQJBLJ-CQSZACIVSA-N 1 0 233.330 3.581 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000581336126 367356086 /nfs/dbraw/zinc/35/60/86/367356086.db2.gz UCYSUKBRCIZXPT-AWEZNQCLSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000581336127 367356181 /nfs/dbraw/zinc/35/61/81/367356181.db2.gz UCYSUKBRCIZXPT-CQSZACIVSA-N 1 0 247.382 3.672 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000581340183 367357724 /nfs/dbraw/zinc/35/77/24/367357724.db2.gz KABWOUDDNVUFRU-MCIONIFRSA-N 1 0 249.398 3.884 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000581341984 344096225 /nfs/dbraw/zinc/09/62/25/344096225.db2.gz SAZKHZFSNZZJST-INIZCTEOSA-N 1 0 241.378 3.760 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000581341985 344096212 /nfs/dbraw/zinc/09/62/12/344096212.db2.gz SAZKHZFSNZZJST-MRXNPFEDSA-N 1 0 241.378 3.760 20 0 BHADRO COc1ccc(C[NH2+]C2CC(C(C)C)C2)c(C)c1 ZINC000581363137 367392430 /nfs/dbraw/zinc/39/24/30/367392430.db2.gz HNOZAODITHHVFA-UHFFFAOYSA-N 1 0 247.382 3.528 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000581369528 367402076 /nfs/dbraw/zinc/40/20/76/367402076.db2.gz GMCVWFLPKNWJCW-HZSPNIEDSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000581369529 367401477 /nfs/dbraw/zinc/40/14/77/367401477.db2.gz GMCVWFLPKNWJCW-MCIONIFRSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000581369530 367402395 /nfs/dbraw/zinc/40/23/95/367402395.db2.gz GMCVWFLPKNWJCW-MGPQQGTHSA-N 1 0 239.378 3.970 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000581369531 367401622 /nfs/dbraw/zinc/40/16/22/367401622.db2.gz GMCVWFLPKNWJCW-RDBSUJKOSA-N 1 0 239.378 3.970 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccsc1 ZINC000581397024 367428642 /nfs/dbraw/zinc/42/86/42/367428642.db2.gz DKPBIXZYJWICMR-UHFFFAOYSA-N 1 0 211.374 3.759 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000581398609 367430238 /nfs/dbraw/zinc/43/02/38/367430238.db2.gz YILLUIRIBUQOIS-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000581398610 367429780 /nfs/dbraw/zinc/42/97/80/367429780.db2.gz YILLUIRIBUQOIS-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000581398611 367429458 /nfs/dbraw/zinc/42/94/58/367429458.db2.gz YILLUIRIBUQOIS-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000581398612 367430265 /nfs/dbraw/zinc/43/02/65/367430265.db2.gz YILLUIRIBUQOIS-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCc1ncccc1C ZINC000581411576 367451081 /nfs/dbraw/zinc/45/10/81/367451081.db2.gz AJTGTGRHHGXREF-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCc1ncccc1C ZINC000581411577 367451612 /nfs/dbraw/zinc/45/16/12/367451612.db2.gz AJTGTGRHHGXREF-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(Cl)o1 ZINC000581411877 367451694 /nfs/dbraw/zinc/45/16/94/367451694.db2.gz XSQJIGHSACUCJJ-JTQLQIEISA-N 1 0 229.751 3.944 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)o1 ZINC000581411878 367451722 /nfs/dbraw/zinc/45/17/22/367451722.db2.gz XSQJIGHSACUCJJ-SNVBAGLBSA-N 1 0 229.751 3.944 20 0 BHADRO CC[C@H]([NH2+]CCC1(COC)CC1)c1ccccc1 ZINC000581429113 346912534 /nfs/dbraw/zinc/91/25/34/346912534.db2.gz WZLGKSHBNMRGKH-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCC1(COC)CC1)c1ccccc1 ZINC000581429114 346912469 /nfs/dbraw/zinc/91/24/69/346912469.db2.gz WZLGKSHBNMRGKH-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC12CC2)c1cccs1 ZINC000581440730 367473233 /nfs/dbraw/zinc/47/32/33/367473233.db2.gz QGWXHMYGWABXEF-GFCCVEGCSA-N 1 0 249.423 3.948 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC12CC2)c1cccs1 ZINC000581440731 367472906 /nfs/dbraw/zinc/47/29/06/367472906.db2.gz QGWXHMYGWABXEF-LBPRGKRZSA-N 1 0 249.423 3.948 20 0 BHADRO CCC[N@H+](CC)C[C@@H](C)c1ccccc1 ZINC000581451766 367477268 /nfs/dbraw/zinc/47/72/68/367477268.db2.gz RMMQXPRAUCIGNT-CYBMUJFWSA-N 1 0 205.345 3.522 20 0 BHADRO CCC[N@H+](CC)C[C@H](C)c1ccccc1 ZINC000581451767 367477169 /nfs/dbraw/zinc/47/71/69/367477169.db2.gz RMMQXPRAUCIGNT-ZDUSSCGKSA-N 1 0 205.345 3.522 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000581460334 367481540 /nfs/dbraw/zinc/48/15/40/367481540.db2.gz KWBPISJVUURDFE-HNNXBMFYSA-N 1 0 229.367 3.615 20 0 BHADRO Cc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000581460335 367481333 /nfs/dbraw/zinc/48/13/33/367481333.db2.gz KWBPISJVUURDFE-OAHLLOKOSA-N 1 0 229.367 3.615 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000581470760 367503266 /nfs/dbraw/zinc/50/32/66/367503266.db2.gz KJOUXMHPHLUTID-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000581470761 367503320 /nfs/dbraw/zinc/50/33/20/367503320.db2.gz KJOUXMHPHLUTID-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000581470762 367502421 /nfs/dbraw/zinc/50/24/21/367502421.db2.gz KJOUXMHPHLUTID-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000581470763 367502453 /nfs/dbraw/zinc/50/24/53/367502453.db2.gz KJOUXMHPHLUTID-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]1C[N@H+](CCCc2ccccc2Cl)[C@H]1C ZINC000581477148 367511153 /nfs/dbraw/zinc/51/11/53/367511153.db2.gz XEYLUHKPLXRXSJ-NEPJUHHUSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCc1ccccc1Cl ZINC000581477149 367510962 /nfs/dbraw/zinc/51/09/62/367510962.db2.gz XEYLUHKPLXRXSJ-NWDGAFQWSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@H]1C[N@H+](CCCc2ccccc2Cl)[C@H]1C ZINC000581477150 367511028 /nfs/dbraw/zinc/51/10/28/367511028.db2.gz XEYLUHKPLXRXSJ-RYUDHWBXSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H]1C[N@H+](CCCc2ccccc2Cl)[C@@H]1C ZINC000581477151 367510656 /nfs/dbraw/zinc/51/06/56/367510656.db2.gz XEYLUHKPLXRXSJ-VXGBXAGGSA-N 1 0 237.774 3.613 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)Oc1ccccc1 ZINC000581514171 367533077 /nfs/dbraw/zinc/53/30/77/367533077.db2.gz AZUVIQDYDCUGEP-KBPBESRZSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)Oc1ccccc1 ZINC000581514172 367533335 /nfs/dbraw/zinc/53/33/35/367533335.db2.gz AZUVIQDYDCUGEP-KGLIPLIRSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)Oc1ccccc1 ZINC000581514173 367533503 /nfs/dbraw/zinc/53/35/03/367533503.db2.gz AZUVIQDYDCUGEP-UONOGXRCSA-N 1 0 247.382 3.622 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)Oc1ccccc1 ZINC000581514174 367533623 /nfs/dbraw/zinc/53/36/23/367533623.db2.gz AZUVIQDYDCUGEP-ZIAGYGMSSA-N 1 0 247.382 3.622 20 0 BHADRO C(=C/c1ccccc1)\CC[NH2+]C1(C2CC2)CC1 ZINC000581529623 367552382 /nfs/dbraw/zinc/55/23/82/367552382.db2.gz SUBZJIBAHZHYFU-XBXARRHUSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\CC[NH2+]C1(C2CC2)CC1 ZINC000581529624 367551991 /nfs/dbraw/zinc/55/19/91/367551991.db2.gz SUBZJIBAHZHYFU-YWEYNIOJSA-N 1 0 227.351 3.622 20 0 BHADRO CCc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000581552484 367586055 /nfs/dbraw/zinc/58/60/55/367586055.db2.gz AXAPJMWWLAPAJW-JTQLQIEISA-N 1 0 245.288 3.680 20 0 BHADRO CCc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000581552485 367585461 /nfs/dbraw/zinc/58/54/61/367585461.db2.gz AXAPJMWWLAPAJW-SNVBAGLBSA-N 1 0 245.288 3.680 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000581562952 367591430 /nfs/dbraw/zinc/59/14/30/367591430.db2.gz NCBOTIGPRHYTQV-SMLCLMEVSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000581562953 367592058 /nfs/dbraw/zinc/59/20/58/367592058.db2.gz NCBOTIGPRHYTQV-VIQHNZTISA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc2c(c1)SCC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000581566343 367595989 /nfs/dbraw/zinc/59/59/89/367595989.db2.gz HUZMODXBSZOOEL-CYBMUJFWSA-N 1 0 245.391 3.756 20 0 BHADRO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000581566344 367596496 /nfs/dbraw/zinc/59/64/96/367596496.db2.gz HUZMODXBSZOOEL-ZDUSSCGKSA-N 1 0 245.391 3.756 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCc1ccc(C)nc1 ZINC000581575611 367600667 /nfs/dbraw/zinc/60/06/67/367600667.db2.gz YAKPNWGYESOFFP-GDBMZVCRSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCc1ccc(C)nc1 ZINC000581575612 367600995 /nfs/dbraw/zinc/60/09/95/367600995.db2.gz YAKPNWGYESOFFP-GOEBONIOSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCc1ccc(C)nc1 ZINC000581575613 367600494 /nfs/dbraw/zinc/60/04/94/367600494.db2.gz YAKPNWGYESOFFP-HOCLYGCPSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCc1ccc(C)nc1 ZINC000581575614 367601153 /nfs/dbraw/zinc/60/11/53/367601153.db2.gz YAKPNWGYESOFFP-ZBFHGGJFSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000581596413 348653636 /nfs/dbraw/zinc/65/36/36/348653636.db2.gz YGYOHMMRABVBGE-GPCCPHFNSA-N 1 0 239.309 3.756 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C)[C@H]1C ZINC000581596414 348653273 /nfs/dbraw/zinc/65/32/73/348653273.db2.gz YGYOHMMRABVBGE-IMSIIYSGSA-N 1 0 239.309 3.756 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000581596415 348653980 /nfs/dbraw/zinc/65/39/80/348653980.db2.gz YGYOHMMRABVBGE-ISTVAULSSA-N 1 0 239.309 3.756 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000581596416 348653973 /nfs/dbraw/zinc/65/39/73/348653973.db2.gz YGYOHMMRABVBGE-PKFCDNJMSA-N 1 0 239.309 3.756 20 0 BHADRO CCc1ccc(C[N@@H+]2CCCCC(C)(C)C2)nc1 ZINC000581620865 367639218 /nfs/dbraw/zinc/63/92/18/367639218.db2.gz QMDGSEMIFZQEMO-UHFFFAOYSA-N 1 0 246.398 3.656 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000581628611 367643607 /nfs/dbraw/zinc/64/36/07/367643607.db2.gz HZPYBPMTRVUAIB-CABCVRRESA-N 1 0 249.423 3.945 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000581628612 367642882 /nfs/dbraw/zinc/64/28/82/367642882.db2.gz HZPYBPMTRVUAIB-GJZGRUSLSA-N 1 0 249.423 3.945 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cs1 ZINC000581628613 367642636 /nfs/dbraw/zinc/64/26/36/367642636.db2.gz HZPYBPMTRVUAIB-HUUCEWRRSA-N 1 0 249.423 3.945 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000581628614 367643104 /nfs/dbraw/zinc/64/31/04/367643104.db2.gz HZPYBPMTRVUAIB-LSDHHAIUSA-N 1 0 249.423 3.945 20 0 BHADRO CCC[N@H+](Cc1ccc(SC)s1)C1CC1 ZINC000581639559 367644890 /nfs/dbraw/zinc/64/48/90/367644890.db2.gz VEAPTUDKANQCDR-UHFFFAOYSA-N 1 0 241.425 3.844 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+]CC1(C)CC1 ZINC000581643060 367649290 /nfs/dbraw/zinc/64/92/90/367649290.db2.gz FJSKJKADUUMFDN-UHFFFAOYSA-N 1 0 243.350 3.673 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCSC(C)C ZINC000581649530 367653383 /nfs/dbraw/zinc/65/33/83/367653383.db2.gz YNNSWKAZNWGVEZ-LLVKDONJSA-N 1 0 217.422 3.542 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCSC(C)C ZINC000581649531 367653312 /nfs/dbraw/zinc/65/33/12/367653312.db2.gz YNNSWKAZNWGVEZ-NSHDSACASA-N 1 0 217.422 3.542 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000581675434 367704838 /nfs/dbraw/zinc/70/48/38/367704838.db2.gz SLIHUAWRJXYQEE-FOSCPCJNSA-N 1 0 244.382 3.536 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000581675435 367705068 /nfs/dbraw/zinc/70/50/68/367705068.db2.gz SLIHUAWRJXYQEE-MBVDDHJVSA-N 1 0 244.382 3.536 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000581675436 367704721 /nfs/dbraw/zinc/70/47/21/367704721.db2.gz SLIHUAWRJXYQEE-RGDDUWESSA-N 1 0 244.382 3.536 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000581675437 367703953 /nfs/dbraw/zinc/70/39/53/367703953.db2.gz SLIHUAWRJXYQEE-XVWMLYKFSA-N 1 0 244.382 3.536 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC000581681885 367708559 /nfs/dbraw/zinc/70/85/59/367708559.db2.gz MCFVMWILYVGBGV-CYBMUJFWSA-N 1 0 215.356 3.638 20 0 BHADRO CC[C@H]1CCC[N@H+](CCCCCF)CC1 ZINC000581681886 367708575 /nfs/dbraw/zinc/70/85/75/367708575.db2.gz MCFVMWILYVGBGV-ZDUSSCGKSA-N 1 0 215.356 3.638 20 0 BHADRO COCC(C)(C)CCC[NH2+]CC1CCCCC1 ZINC000581689344 367713058 /nfs/dbraw/zinc/71/30/58/367713058.db2.gz LOGQWCFGWSCRDJ-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC1(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000581694174 367715605 /nfs/dbraw/zinc/71/56/05/367715605.db2.gz GQDSSPJJPPRLMX-GFCCVEGCSA-N 1 0 235.396 3.931 20 0 BHADRO CC1(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000581694175 367715575 /nfs/dbraw/zinc/71/55/75/367715575.db2.gz GQDSSPJJPPRLMX-LBPRGKRZSA-N 1 0 235.396 3.931 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000581694882 367715174 /nfs/dbraw/zinc/71/51/74/367715174.db2.gz LEKUPDMNSGXRKA-GZTOBOFZSA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000581694883 367715367 /nfs/dbraw/zinc/71/53/67/367715367.db2.gz LEKUPDMNSGXRKA-ISALQUGTSA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000581694884 367715117 /nfs/dbraw/zinc/71/51/17/367715117.db2.gz LEKUPDMNSGXRKA-MVIFTORASA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000581694885 367715320 /nfs/dbraw/zinc/71/53/20/367715320.db2.gz LEKUPDMNSGXRKA-QRGHLMKCSA-N 1 0 239.309 3.708 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000581708472 350627874 /nfs/dbraw/zinc/62/78/74/350627874.db2.gz ACAHTQWNCDSJDO-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000581708473 350627908 /nfs/dbraw/zinc/62/79/08/350627908.db2.gz ACAHTQWNCDSJDO-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO CCc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000581730800 367795115 /nfs/dbraw/zinc/79/51/15/367795115.db2.gz VZUMDFCWLFQXMB-UHFFFAOYSA-N 1 0 231.364 3.600 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000581737519 367801156 /nfs/dbraw/zinc/80/11/56/367801156.db2.gz JQKDZIFFPCVHHV-AGGWBTHJSA-N 1 0 243.375 3.789 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000581737520 367801036 /nfs/dbraw/zinc/80/10/36/367801036.db2.gz JQKDZIFFPCVHHV-NHAGDIPZSA-N 1 0 243.375 3.789 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000581744099 367805515 /nfs/dbraw/zinc/80/55/15/367805515.db2.gz DMLKVXPDTBAHMH-CABCVRRESA-N 1 0 247.407 3.557 20 0 BHADRO c1ccc(SCC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000581744100 367804944 /nfs/dbraw/zinc/80/49/44/367804944.db2.gz DMLKVXPDTBAHMH-GJZGRUSLSA-N 1 0 247.407 3.557 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000581744101 367805378 /nfs/dbraw/zinc/80/53/78/367805378.db2.gz DMLKVXPDTBAHMH-HUUCEWRRSA-N 1 0 247.407 3.557 20 0 BHADRO c1ccc(SCC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000581744102 367804754 /nfs/dbraw/zinc/80/47/54/367804754.db2.gz DMLKVXPDTBAHMH-LSDHHAIUSA-N 1 0 247.407 3.557 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2C ZINC000581744473 367804952 /nfs/dbraw/zinc/80/49/52/367804952.db2.gz WIAMBDYVHZCPSW-DAXOMENPSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2C ZINC000581744474 367804794 /nfs/dbraw/zinc/80/47/94/367804794.db2.gz WIAMBDYVHZCPSW-KCXAZCMYSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2C ZINC000581744475 367804525 /nfs/dbraw/zinc/80/45/25/367804525.db2.gz WIAMBDYVHZCPSW-UHOFOFEASA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2c1cccc2C ZINC000581744476 367804905 /nfs/dbraw/zinc/80/49/05/367804905.db2.gz WIAMBDYVHZCPSW-WQVCFCJDSA-N 1 0 229.367 3.761 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000581749247 367808207 /nfs/dbraw/zinc/80/82/07/367808207.db2.gz LQKWDECTFQNHKP-AWEZNQCLSA-N 1 0 246.329 3.585 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000581749248 367809351 /nfs/dbraw/zinc/80/93/51/367809351.db2.gz LQKWDECTFQNHKP-CQSZACIVSA-N 1 0 246.329 3.585 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000581778494 367827628 /nfs/dbraw/zinc/82/76/28/367827628.db2.gz UMNDXZLCPFEIKN-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CCC(C)(C)C ZINC000581778495 367827784 /nfs/dbraw/zinc/82/77/84/367827784.db2.gz UMNDXZLCPFEIKN-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000581778496 367827168 /nfs/dbraw/zinc/82/71/68/367827168.db2.gz UMNDXZLCPFEIKN-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CCC(C)(C)C ZINC000581778497 367827252 /nfs/dbraw/zinc/82/72/52/367827252.db2.gz UMNDXZLCPFEIKN-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[N@H+](Cc1cccc(C(F)F)c1)C(C)(C)C ZINC000581820854 367831238 /nfs/dbraw/zinc/83/12/38/367831238.db2.gz ZCSALSOJNCDMCX-UHFFFAOYSA-N 1 0 227.298 3.855 20 0 BHADRO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H](C)c1ccccc1 ZINC000581837142 367840941 /nfs/dbraw/zinc/84/09/41/367840941.db2.gz HZSFDEXNGFCIIF-DYEKYZERSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H](C)c1ccccc1 ZINC000581837143 367840961 /nfs/dbraw/zinc/84/09/61/367840961.db2.gz HZSFDEXNGFCIIF-MBNYWOFBSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000581837144 342810805 /nfs/dbraw/zinc/81/08/05/342810805.db2.gz HZSFDEXNGFCIIF-OBJOEFQTSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000581837145 342810860 /nfs/dbraw/zinc/81/08/60/342810860.db2.gz HZSFDEXNGFCIIF-SGMGOOAPSA-N 1 0 249.423 3.662 20 0 BHADRO Cc1cccc(C)c1C[NH+]1CC(C2CCC2)C1 ZINC000581851486 367843090 /nfs/dbraw/zinc/84/30/90/367843090.db2.gz PEDRAHMXMCGICK-UHFFFAOYSA-N 1 0 229.367 3.535 20 0 BHADRO CSc1ccc(C[NH+]2CCC(C)CC2)s1 ZINC000581855573 367843882 /nfs/dbraw/zinc/84/38/82/367843882.db2.gz CNIFFVVPJHCFLV-UHFFFAOYSA-N 1 0 241.425 3.702 20 0 BHADRO Cc1cnc(CC[N@@H+](C(C)C)C2CCC2)c(C)c1 ZINC000581881847 367873695 /nfs/dbraw/zinc/87/36/95/367873695.db2.gz ONHHDVKQQURVMQ-UHFFFAOYSA-N 1 0 246.398 3.504 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000581883808 367875462 /nfs/dbraw/zinc/87/54/62/367875462.db2.gz BDTGCZKCXRONRS-BARDWOONSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000581883809 367875345 /nfs/dbraw/zinc/87/53/45/367875345.db2.gz BDTGCZKCXRONRS-CBBWQLFWSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000581883810 367875374 /nfs/dbraw/zinc/87/53/74/367875374.db2.gz BDTGCZKCXRONRS-LXTVHRRPSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000581883811 367875405 /nfs/dbraw/zinc/87/54/05/367875405.db2.gz BDTGCZKCXRONRS-QPSCCSFWSA-N 1 0 239.378 3.826 20 0 BHADRO FCC1([NH2+]Cc2cc3ccccc3s2)CCC1 ZINC000581883836 342867243 /nfs/dbraw/zinc/86/72/43/342867243.db2.gz CRQCHXNRBSAFKQ-UHFFFAOYSA-N 1 0 249.354 3.883 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1C ZINC000581883962 367875396 /nfs/dbraw/zinc/87/53/96/367875396.db2.gz LLFZGZPNOOFCNE-CABCVRRESA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)c1C ZINC000581883963 342867240 /nfs/dbraw/zinc/86/72/40/342867240.db2.gz LLFZGZPNOOFCNE-GJZGRUSLSA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1C ZINC000581883964 342867310 /nfs/dbraw/zinc/86/73/10/342867310.db2.gz LLFZGZPNOOFCNE-HUUCEWRRSA-N 1 0 235.346 3.674 20 0 BHADRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1C ZINC000581883965 342867340 /nfs/dbraw/zinc/86/73/40/342867340.db2.gz LLFZGZPNOOFCNE-LSDHHAIUSA-N 1 0 235.346 3.674 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)C(F)(F)F ZINC000581958159 368022110 /nfs/dbraw/zinc/02/21/10/368022110.db2.gz NPZUIJWLTPIIBV-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CCCC2)C(F)(F)F ZINC000581958160 368022117 /nfs/dbraw/zinc/02/21/17/368022117.db2.gz NPZUIJWLTPIIBV-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)C(F)(F)F ZINC000581958161 368021828 /nfs/dbraw/zinc/02/18/28/368021828.db2.gz NPZUIJWLTPIIBV-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)C(F)(F)F ZINC000581958162 368021910 /nfs/dbraw/zinc/02/19/10/368021910.db2.gz NPZUIJWLTPIIBV-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000581963422 368027131 /nfs/dbraw/zinc/02/71/31/368027131.db2.gz ANRLAWPGHJUPIE-KBPBESRZSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000581963423 368027048 /nfs/dbraw/zinc/02/70/48/368027048.db2.gz ANRLAWPGHJUPIE-KGLIPLIRSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000581963424 368026968 /nfs/dbraw/zinc/02/69/68/368026968.db2.gz ANRLAWPGHJUPIE-UONOGXRCSA-N 1 0 243.394 3.522 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000581963425 368027230 /nfs/dbraw/zinc/02/72/30/368027230.db2.gz ANRLAWPGHJUPIE-ZIAGYGMSSA-N 1 0 243.394 3.522 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CC1(CC)CCOCC1 ZINC000581975624 368031074 /nfs/dbraw/zinc/03/10/74/368031074.db2.gz OLTVCTVVDKLONH-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CC1(CC)CCOCC1 ZINC000581975625 368031657 /nfs/dbraw/zinc/03/16/57/368031657.db2.gz OLTVCTVVDKLONH-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000581978154 368035364 /nfs/dbraw/zinc/03/53/64/368035364.db2.gz ZTPDPOYGLUEZOL-DNDYEEKYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000581978155 368035147 /nfs/dbraw/zinc/03/51/47/368035147.db2.gz ZTPDPOYGLUEZOL-HESLUPGFSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000581978156 368035417 /nfs/dbraw/zinc/03/54/17/368035417.db2.gz ZTPDPOYGLUEZOL-LMRVLLHPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000581978157 368035682 /nfs/dbraw/zinc/03/56/82/368035682.db2.gz ZTPDPOYGLUEZOL-ZUJMUWTESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000581983715 368046527 /nfs/dbraw/zinc/04/65/27/368046527.db2.gz GFLUSEGLQDLAKW-DGAVXFQQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000581983716 368045718 /nfs/dbraw/zinc/04/57/18/368045718.db2.gz GFLUSEGLQDLAKW-ZOBORPQBSA-N 1 0 239.403 3.501 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCCCCC2)nc1 ZINC000581991344 368065739 /nfs/dbraw/zinc/06/57/39/368065739.db2.gz RSOKSSOHSUKDBV-UHFFFAOYSA-N 1 0 246.398 3.799 20 0 BHADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC1CCC1 ZINC000581995294 368090412 /nfs/dbraw/zinc/09/04/12/368090412.db2.gz BVLCPRAJVXFORO-INIZCTEOSA-N 1 0 247.382 3.878 20 0 BHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC1CCC1 ZINC000581995295 368090130 /nfs/dbraw/zinc/09/01/30/368090130.db2.gz BVLCPRAJVXFORO-MRXNPFEDSA-N 1 0 247.382 3.878 20 0 BHADRO FCCC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000581997476 368088653 /nfs/dbraw/zinc/08/86/53/368088653.db2.gz QKRMMWCMOPGNBW-AWEZNQCLSA-N 1 0 227.367 3.685 20 0 BHADRO FCCC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000581997477 368088587 /nfs/dbraw/zinc/08/85/87/368088587.db2.gz QKRMMWCMOPGNBW-CQSZACIVSA-N 1 0 227.367 3.685 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2C[C@H]2Cc3ccccc32)cc1 ZINC000582021278 347043577 /nfs/dbraw/zinc/04/35/77/347043577.db2.gz ZCMCKDABFFEGGU-AEFFLSMTSA-N 1 0 249.357 3.773 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2C[C@@H]2Cc3ccccc32)cc1 ZINC000582021279 347043315 /nfs/dbraw/zinc/04/33/15/347043315.db2.gz ZCMCKDABFFEGGU-FUHWJXTLSA-N 1 0 249.357 3.773 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2C[C@H]2Cc3ccccc32)cc1 ZINC000582021280 347043956 /nfs/dbraw/zinc/04/39/56/347043956.db2.gz ZCMCKDABFFEGGU-SJLPKXTDSA-N 1 0 249.357 3.773 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2C[C@@H]2Cc3ccccc32)cc1 ZINC000582021281 347043377 /nfs/dbraw/zinc/04/33/77/347043377.db2.gz ZCMCKDABFFEGGU-WMZOPIPTSA-N 1 0 249.357 3.773 20 0 BHADRO FCCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000582029622 347078304 /nfs/dbraw/zinc/07/83/04/347078304.db2.gz DHBFCWVMCMGZHT-UHFFFAOYSA-N 1 0 249.373 3.910 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCc1ccccn1 ZINC000582085455 347193956 /nfs/dbraw/zinc/19/39/56/347193956.db2.gz IICXRNDICUTWJA-CABCVRRESA-N 1 0 248.414 3.819 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCCc1ccccn1 ZINC000582085456 347194467 /nfs/dbraw/zinc/19/44/67/347194467.db2.gz IICXRNDICUTWJA-GJZGRUSLSA-N 1 0 248.414 3.819 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000582085457 347194308 /nfs/dbraw/zinc/19/43/08/347194308.db2.gz IICXRNDICUTWJA-HUUCEWRRSA-N 1 0 248.414 3.819 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000582085458 347194330 /nfs/dbraw/zinc/19/43/30/347194330.db2.gz IICXRNDICUTWJA-LSDHHAIUSA-N 1 0 248.414 3.819 20 0 BHADRO CCc1ncc(C[N@@H+](CC)C(CC)CC)s1 ZINC000582089967 347201408 /nfs/dbraw/zinc/20/14/08/347201408.db2.gz FOOCDLQNDOQHHD-UHFFFAOYSA-N 1 0 240.416 3.716 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000582091146 347205587 /nfs/dbraw/zinc/20/55/87/347205587.db2.gz CLMKDZXFAQTXPZ-GFCCVEGCSA-N 1 0 245.370 3.573 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000582091147 347205492 /nfs/dbraw/zinc/20/54/92/347205492.db2.gz CLMKDZXFAQTXPZ-LBPRGKRZSA-N 1 0 245.370 3.573 20 0 BHADRO CCC[N@H+](Cc1nc(C2CC2)cs1)C(C)C ZINC000582130897 346942631 /nfs/dbraw/zinc/94/26/31/346942631.db2.gz QOPIAJVMZLTKLX-UHFFFAOYSA-N 1 0 238.400 3.641 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000582134085 347045463 /nfs/dbraw/zinc/04/54/63/347045463.db2.gz CUMMNNJYFKGZRC-KBPBESRZSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000582134086 347045398 /nfs/dbraw/zinc/04/53/98/347045398.db2.gz CUMMNNJYFKGZRC-KGLIPLIRSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000582134087 347045527 /nfs/dbraw/zinc/04/55/27/347045527.db2.gz CUMMNNJYFKGZRC-UONOGXRCSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000582134088 347045365 /nfs/dbraw/zinc/04/53/65/347045365.db2.gz CUMMNNJYFKGZRC-ZIAGYGMSSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000582134391 347051461 /nfs/dbraw/zinc/05/14/61/347051461.db2.gz AZXVZMMBGSHBIG-CVEARBPZSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000582134392 347051560 /nfs/dbraw/zinc/05/15/60/347051560.db2.gz AZXVZMMBGSHBIG-HOTGVXAUSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000582134393 347051504 /nfs/dbraw/zinc/05/15/04/347051504.db2.gz AZXVZMMBGSHBIG-HZPDHXFCSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000582134394 347051524 /nfs/dbraw/zinc/05/15/24/347051524.db2.gz AZXVZMMBGSHBIG-JKSUJKDBSA-N 1 0 247.382 3.639 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCCCF ZINC000582137303 350818925 /nfs/dbraw/zinc/81/89/25/350818925.db2.gz GZYGABXMVQKIHJ-GFCCVEGCSA-N 1 0 241.325 3.958 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCCCF ZINC000582137304 350818899 /nfs/dbraw/zinc/81/88/99/350818899.db2.gz GZYGABXMVQKIHJ-LBPRGKRZSA-N 1 0 241.325 3.958 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000582150645 352567132 /nfs/dbraw/zinc/56/71/32/352567132.db2.gz LAQZBXFNHPRBKQ-CVEARBPZSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000582150646 352566899 /nfs/dbraw/zinc/56/68/99/352566899.db2.gz LAQZBXFNHPRBKQ-HOTGVXAUSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000582150647 352567152 /nfs/dbraw/zinc/56/71/52/352567152.db2.gz LAQZBXFNHPRBKQ-HZPDHXFCSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000582150648 352566820 /nfs/dbraw/zinc/56/68/20/352566820.db2.gz LAQZBXFNHPRBKQ-JKSUJKDBSA-N 1 0 246.398 3.525 20 0 BHADRO Cc1cc(C[N@@H+](C)C(C)(C)C)c(C)s1 ZINC000582179732 355626710 /nfs/dbraw/zinc/62/67/10/355626710.db2.gz UOJHVXANLDASFG-UHFFFAOYSA-N 1 0 211.374 3.595 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000582199358 355731512 /nfs/dbraw/zinc/73/15/12/355731512.db2.gz USFHELOVZXAVJP-CABCVRRESA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000582199359 355731319 /nfs/dbraw/zinc/73/13/19/355731319.db2.gz USFHELOVZXAVJP-GJZGRUSLSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000582199360 355731432 /nfs/dbraw/zinc/73/14/32/355731432.db2.gz USFHELOVZXAVJP-HUUCEWRRSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000582199361 355731335 /nfs/dbraw/zinc/73/13/35/355731335.db2.gz USFHELOVZXAVJP-LSDHHAIUSA-N 1 0 247.407 3.687 20 0 BHADRO Cc1cccc(CC[N@@H+](C)C2CCCCCC2)n1 ZINC000582238707 356669140 /nfs/dbraw/zinc/66/91/40/356669140.db2.gz PUAVLRCFMCCFQM-UHFFFAOYSA-N 1 0 246.398 3.587 20 0 BHADRO COCC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000582249412 356683020 /nfs/dbraw/zinc/68/30/20/356683020.db2.gz MUODYEGIAUIQPB-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000582249413 356682892 /nfs/dbraw/zinc/68/28/92/356682892.db2.gz MUODYEGIAUIQPB-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000582249414 356682861 /nfs/dbraw/zinc/68/28/61/356682861.db2.gz MUODYEGIAUIQPB-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000582249415 356683249 /nfs/dbraw/zinc/68/32/49/356683249.db2.gz MUODYEGIAUIQPB-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000582253299 356686119 /nfs/dbraw/zinc/68/61/19/356686119.db2.gz DDSPTNYUWIMUTG-DDUYRFODSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000582253300 356686215 /nfs/dbraw/zinc/68/62/15/356686215.db2.gz DDSPTNYUWIMUTG-JMGFVUJMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000582253301 356686187 /nfs/dbraw/zinc/68/61/87/356686187.db2.gz DDSPTNYUWIMUTG-WXYCVUISSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000582253302 356686285 /nfs/dbraw/zinc/68/62/85/356686285.db2.gz DDSPTNYUWIMUTG-YUDUHTQSSA-N 1 0 247.357 3.707 20 0 BHADRO Clc1cccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000582253361 356685987 /nfs/dbraw/zinc/68/59/87/356685987.db2.gz UVPYJYJMVRVPLK-CFVMTHIKSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000582253362 356685962 /nfs/dbraw/zinc/68/59/62/356685962.db2.gz UVPYJYJMVRVPLK-NWANDNLSSA-N 1 0 249.785 3.661 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000582263249 356957458 /nfs/dbraw/zinc/95/74/58/356957458.db2.gz KWEYUMDJDWSTDI-MYZSUADSSA-N 1 0 249.423 3.662 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000582263250 356957511 /nfs/dbraw/zinc/95/75/11/356957511.db2.gz KWEYUMDJDWSTDI-NZBPQXDJSA-N 1 0 249.423 3.662 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000582263251 356957604 /nfs/dbraw/zinc/95/76/04/356957604.db2.gz KWEYUMDJDWSTDI-PAPYEOQZSA-N 1 0 249.423 3.662 20 0 BHADRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000582263252 356957525 /nfs/dbraw/zinc/95/75/25/356957525.db2.gz KWEYUMDJDWSTDI-RJZRQDKASA-N 1 0 249.423 3.662 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](CC3(C)CC3)C2)cc1 ZINC000582277350 357001742 /nfs/dbraw/zinc/00/17/42/357001742.db2.gz QREXTGXLPMMOAQ-HNNXBMFYSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](CC3(C)CC3)C2)cc1 ZINC000582277351 357001982 /nfs/dbraw/zinc/00/19/82/357001982.db2.gz QREXTGXLPMMOAQ-OAHLLOKOSA-N 1 0 229.367 3.584 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000582291839 357024811 /nfs/dbraw/zinc/02/48/11/357024811.db2.gz XVCZRDKJZSIERS-BBRMVZONSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000582291840 357024897 /nfs/dbraw/zinc/02/48/97/357024897.db2.gz XVCZRDKJZSIERS-CJNGLKHVSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000582291841 357025124 /nfs/dbraw/zinc/02/51/24/357025124.db2.gz XVCZRDKJZSIERS-CZUORRHYSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000582291842 357024742 /nfs/dbraw/zinc/02/47/42/357024742.db2.gz XVCZRDKJZSIERS-XJKSGUPXSA-N 1 0 231.383 3.958 20 0 BHADRO CCC[N@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000582309638 357047325 /nfs/dbraw/zinc/04/73/25/357047325.db2.gz LADWYPALYWGKIV-UHFFFAOYSA-N 1 0 238.375 3.593 20 0 BHADRO CC(C)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000582372481 357117992 /nfs/dbraw/zinc/11/79/92/357117992.db2.gz BBELJBMIDVPZOY-WKILWMFISA-N 1 0 231.383 3.958 20 0 BHADRO CCC(CC)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000582374958 357119094 /nfs/dbraw/zinc/11/90/94/357119094.db2.gz OWIYEOLDHZBQHA-INIZCTEOSA-N 1 0 231.383 3.958 20 0 BHADRO CCC(CC)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000582374959 357118835 /nfs/dbraw/zinc/11/88/35/357118835.db2.gz OWIYEOLDHZBQHA-MRXNPFEDSA-N 1 0 231.383 3.958 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000582383077 357122007 /nfs/dbraw/zinc/12/20/07/357122007.db2.gz KPAFEEHCTSKLMR-GHMZBOCLSA-N 1 0 249.320 3.745 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H](C)C2CC2)s1 ZINC000582392139 357125165 /nfs/dbraw/zinc/12/51/65/357125165.db2.gz NIDOGTSCJUUUIT-SECBINFHSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H](C)C2CC2)s1 ZINC000582392140 357125715 /nfs/dbraw/zinc/12/57/15/357125715.db2.gz NIDOGTSCJUUUIT-VIFPVBQESA-N 1 0 241.425 3.700 20 0 BHADRO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C)CC2)cc1 ZINC000582396296 357129275 /nfs/dbraw/zinc/12/92/75/357129275.db2.gz CQCOCJNNPBRDGL-HNNXBMFYSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccc([C@H]2CCC[N@@H+]2CC2(C)CC2)cc1 ZINC000582396297 357129289 /nfs/dbraw/zinc/12/92/89/357129289.db2.gz CQCOCJNNPBRDGL-OAHLLOKOSA-N 1 0 245.366 3.632 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)CC1CCCCC1 ZINC000582400877 357132806 /nfs/dbraw/zinc/13/28/06/357132806.db2.gz CZXDPPKWZWECQV-AWEZNQCLSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C[C@H](C)O1 ZINC000582400898 357132859 /nfs/dbraw/zinc/13/28/59/357132859.db2.gz GKNPFGYUBPPJLY-ITGUQSILSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C1(C(C)C)CC1 ZINC000582427761 357147033 /nfs/dbraw/zinc/14/70/33/357147033.db2.gz UQJQXZZHCDCVMU-HNNXBMFYSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C1(C(C)C)CC1 ZINC000582427762 357146404 /nfs/dbraw/zinc/14/64/04/357146404.db2.gz UQJQXZZHCDCVMU-OAHLLOKOSA-N 1 0 231.383 3.786 20 0 BHADRO Clc1csc(C[NH+]2CC(C3CCC3)C2)c1 ZINC000582448277 357194433 /nfs/dbraw/zinc/19/44/33/357194433.db2.gz ZELROSAZNYHAGB-UHFFFAOYSA-N 1 0 241.787 3.633 20 0 BHADRO Cc1cncc(C[NH2+]CCCC2CCCCC2)c1 ZINC000582453247 357234721 /nfs/dbraw/zinc/23/47/21/357234721.db2.gz APUFKIXUCIYGCX-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO CC[C@@H](F)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000582465280 357289343 /nfs/dbraw/zinc/28/93/43/357289343.db2.gz ZXWUJCQYEXNAJG-CYBMUJFWSA-N 1 0 235.346 3.528 20 0 BHADRO CC[C@H](F)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000582465281 357289658 /nfs/dbraw/zinc/28/96/58/357289658.db2.gz ZXWUJCQYEXNAJG-ZDUSSCGKSA-N 1 0 235.346 3.528 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCCC(C)C ZINC000582513645 357323469 /nfs/dbraw/zinc/32/34/69/357323469.db2.gz BBEXQCGHEGFDSR-HNNXBMFYSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCCC(C)C ZINC000582513646 357323690 /nfs/dbraw/zinc/32/36/90/357323690.db2.gz BBEXQCGHEGFDSR-OAHLLOKOSA-N 1 0 234.387 3.901 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000582515173 357324736 /nfs/dbraw/zinc/32/47/36/357324736.db2.gz CSLPKHCJZISOLE-AGIUHOORSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000582515174 357324687 /nfs/dbraw/zinc/32/46/87/357324687.db2.gz CSLPKHCJZISOLE-FRRDWIJNSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000582515175 357324639 /nfs/dbraw/zinc/32/46/39/357324639.db2.gz CSLPKHCJZISOLE-JHJVBQTASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000582515176 357324765 /nfs/dbraw/zinc/32/47/65/357324765.db2.gz CSLPKHCJZISOLE-UPJWGTAASA-N 1 0 245.357 3.790 20 0 BHADRO CCC[NH+](CCC)CCc1ccc(C)cc1 ZINC000582571735 357341849 /nfs/dbraw/zinc/34/18/49/357341849.db2.gz PLPFGDNESBDCKR-UHFFFAOYSA-N 1 0 219.372 3.660 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CCCC(C)(C)C)CCC1 ZINC000582582740 357345454 /nfs/dbraw/zinc/34/54/54/357345454.db2.gz IVBZUAVZGZUAKE-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC1(C[C@H](C)[NH2+]CCCC(C)(C)C)CCC1 ZINC000582582743 357345440 /nfs/dbraw/zinc/34/54/40/357345440.db2.gz IVBZUAVZGZUAKE-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000582588487 387862545 /nfs/dbraw/zinc/86/25/45/387862545.db2.gz VWLGYOPMWOLFPR-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000582588488 387863326 /nfs/dbraw/zinc/86/33/26/387863326.db2.gz VWLGYOPMWOLFPR-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000582588489 387862108 /nfs/dbraw/zinc/86/21/08/387862108.db2.gz VWLGYOPMWOLFPR-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000582588490 387862075 /nfs/dbraw/zinc/86/20/75/387862075.db2.gz VWLGYOPMWOLFPR-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CC1(C)CCC1 ZINC000582597082 357346686 /nfs/dbraw/zinc/34/66/86/357346686.db2.gz WXKPRVYTRSXEQL-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CC1(C)CCC1 ZINC000582597085 357346382 /nfs/dbraw/zinc/34/63/82/357346382.db2.gz WXKPRVYTRSXEQL-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCOC1CCCC1 ZINC000582597781 357346451 /nfs/dbraw/zinc/34/64/51/357346451.db2.gz CSQQKGZGZXGSOS-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCOC1CCCC1 ZINC000582597782 357346351 /nfs/dbraw/zinc/34/63/51/357346351.db2.gz CSQQKGZGZXGSOS-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000582597783 357346672 /nfs/dbraw/zinc/34/66/72/357346672.db2.gz CSQQKGZGZXGSOS-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000582597784 357346499 /nfs/dbraw/zinc/34/64/99/357346499.db2.gz CSQQKGZGZXGSOS-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000582618574 357354944 /nfs/dbraw/zinc/35/49/44/357354944.db2.gz DOOLMNOHZSMBOZ-BPUTZDHNSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000582618575 357355015 /nfs/dbraw/zinc/35/50/15/357355015.db2.gz DOOLMNOHZSMBOZ-CWRNSKLLSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000582618576 357355135 /nfs/dbraw/zinc/35/51/35/357355135.db2.gz DOOLMNOHZSMBOZ-IMJJTQAJSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000582618577 357354927 /nfs/dbraw/zinc/35/49/27/357354927.db2.gz DOOLMNOHZSMBOZ-NUEKZKHPSA-N 1 0 249.373 3.736 20 0 BHADRO CC1(C)CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000582620005 357355128 /nfs/dbraw/zinc/35/51/28/357355128.db2.gz XKSGJSYQUYLNND-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CC1(C)CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000582620006 357354920 /nfs/dbraw/zinc/35/49/20/357354920.db2.gz XKSGJSYQUYLNND-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000582625982 398041666 /nfs/dbraw/zinc/04/16/66/398041666.db2.gz CVOIVNJLIGYEMO-DZGCQCFKSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000582625983 398041590 /nfs/dbraw/zinc/04/15/90/398041590.db2.gz CVOIVNJLIGYEMO-HIFRSBDPSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000582625984 398041707 /nfs/dbraw/zinc/04/17/07/398041707.db2.gz CVOIVNJLIGYEMO-UKRRQHHQSA-N 1 0 249.398 3.707 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000582625985 398041497 /nfs/dbraw/zinc/04/14/97/398041497.db2.gz CVOIVNJLIGYEMO-ZFWWWQNUSA-N 1 0 249.398 3.707 20 0 BHADRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000582632536 357355904 /nfs/dbraw/zinc/35/59/04/357355904.db2.gz FQZTWHDJBKZHMX-AZGFUHLJSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000582632542 357355923 /nfs/dbraw/zinc/35/59/23/357355923.db2.gz FQZTWHDJBKZHMX-SPFUSLPCSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CCC(C)CC1 ZINC000582632544 357355961 /nfs/dbraw/zinc/35/59/61/357355961.db2.gz FQZTWHDJBKZHMX-UWTNAYQSSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CCC(C)CC1 ZINC000582632545 357355736 /nfs/dbraw/zinc/35/57/36/357355736.db2.gz FQZTWHDJBKZHMX-WLFBYQNASA-N 1 0 245.366 3.677 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000582632775 357355510 /nfs/dbraw/zinc/35/55/10/357355510.db2.gz FAWAPHGMFDRBQP-BBRMVZONSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000582632777 357355896 /nfs/dbraw/zinc/35/58/96/357355896.db2.gz FAWAPHGMFDRBQP-CJNGLKHVSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000582632778 357355713 /nfs/dbraw/zinc/35/57/13/357355713.db2.gz FAWAPHGMFDRBQP-CZUORRHYSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000582632779 357355745 /nfs/dbraw/zinc/35/57/45/357355745.db2.gz FAWAPHGMFDRBQP-XJKSGUPXSA-N 1 0 231.383 3.741 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000582637068 357355664 /nfs/dbraw/zinc/35/56/64/357355664.db2.gz UADMQBPAHBMCSG-AAVRWANBSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000582637072 357355986 /nfs/dbraw/zinc/35/59/86/357355986.db2.gz UADMQBPAHBMCSG-IGQOVBAYSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000582637073 357355370 /nfs/dbraw/zinc/35/53/70/357355370.db2.gz UADMQBPAHBMCSG-REWJHTLYSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000582637074 357355927 /nfs/dbraw/zinc/35/59/27/357355927.db2.gz UADMQBPAHBMCSG-XJFOESAGSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@H]([NH2+]CCc1ncc(C)cc1C)C(C)(C)C ZINC000582663197 357357205 /nfs/dbraw/zinc/35/72/05/357357205.db2.gz MDNKJBPAIXICJO-HNNXBMFYSA-N 1 0 248.414 3.655 20 0 BHADRO CC[C@@H]([NH2+]CCc1ncc(C)cc1C)C(C)(C)C ZINC000582663207 357357238 /nfs/dbraw/zinc/35/72/38/357357238.db2.gz MDNKJBPAIXICJO-OAHLLOKOSA-N 1 0 248.414 3.655 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000582688970 357368242 /nfs/dbraw/zinc/36/82/42/357368242.db2.gz WXFKWKZCFSOOIA-FVQBIDKESA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000582688971 357367892 /nfs/dbraw/zinc/36/78/92/357367892.db2.gz WXFKWKZCFSOOIA-NUEKZKHPSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000582689500 357368319 /nfs/dbraw/zinc/36/83/19/357368319.db2.gz UPRILIAZIXQXEN-BMFZPTHFSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000582689501 357368992 /nfs/dbraw/zinc/36/89/92/357368992.db2.gz UPRILIAZIXQXEN-FVQBIDKESA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@H](F)C1 ZINC000582689502 357368968 /nfs/dbraw/zinc/36/89/68/357368968.db2.gz UPRILIAZIXQXEN-KBMXLJTQSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000582689503 357368977 /nfs/dbraw/zinc/36/89/77/357368977.db2.gz UPRILIAZIXQXEN-VNQPRFMTSA-N 1 0 249.373 3.736 20 0 BHADRO CCCc1ncc(C[NH2+][C@H](C)C(C)(C)CC)o1 ZINC000582707954 357375934 /nfs/dbraw/zinc/37/59/34/357375934.db2.gz ABYPXCQLXLDING-LLVKDONJSA-N 1 0 238.375 3.541 20 0 BHADRO CCCc1ncc(C[NH2+][C@@H](C)C(C)(C)CC)o1 ZINC000582707958 357375922 /nfs/dbraw/zinc/37/59/22/357375922.db2.gz ABYPXCQLXLDING-NSHDSACASA-N 1 0 238.375 3.541 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000582708066 357376009 /nfs/dbraw/zinc/37/60/09/357376009.db2.gz SMXMZWINYCDANP-GHMZBOCLSA-N 1 0 240.416 3.661 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000582708068 357375887 /nfs/dbraw/zinc/37/58/87/357375887.db2.gz SMXMZWINYCDANP-MNOVXSKESA-N 1 0 240.416 3.661 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000582708070 357375845 /nfs/dbraw/zinc/37/58/45/357375845.db2.gz SMXMZWINYCDANP-QWRGUYRKSA-N 1 0 240.416 3.661 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000582708071 357376028 /nfs/dbraw/zinc/37/60/28/357376028.db2.gz SMXMZWINYCDANP-WDEREUQCSA-N 1 0 240.416 3.661 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000582713211 357369533 /nfs/dbraw/zinc/36/95/33/357369533.db2.gz YUINBWIUOHQAQV-BPCQOVAHSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000582713212 357369630 /nfs/dbraw/zinc/36/96/30/357369630.db2.gz YUINBWIUOHQAQV-WXRRBKDZSA-N 1 0 245.357 3.835 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@H]1CCC1(C)C ZINC000582733368 357374979 /nfs/dbraw/zinc/37/49/79/357374979.db2.gz BHLAEHNUQHKMRT-HNNXBMFYSA-N 1 0 246.398 3.792 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000582733370 357375118 /nfs/dbraw/zinc/37/51/18/357375118.db2.gz BHLAEHNUQHKMRT-OAHLLOKOSA-N 1 0 246.398 3.792 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1CCc1ccc(F)cc1Cl ZINC000582757590 357381507 /nfs/dbraw/zinc/38/15/07/357381507.db2.gz PODFVZWRPNQTHA-AOOOYVTPSA-N 1 0 241.737 3.504 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1CCc1ccc(F)cc1Cl ZINC000582757592 357381857 /nfs/dbraw/zinc/38/18/57/357381857.db2.gz PODFVZWRPNQTHA-NXEZZACHSA-N 1 0 241.737 3.504 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1CCc1ccc(F)cc1Cl ZINC000582757593 357381944 /nfs/dbraw/zinc/38/19/44/357381944.db2.gz PODFVZWRPNQTHA-UWVGGRQHSA-N 1 0 241.737 3.504 20 0 BHADRO Clc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000582777940 387909800 /nfs/dbraw/zinc/90/98/00/387909800.db2.gz ZGKKZVIUFXHEIS-CABCVRRESA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000582777941 387909641 /nfs/dbraw/zinc/90/96/41/387909641.db2.gz ZGKKZVIUFXHEIS-GJZGRUSLSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000582777942 387908713 /nfs/dbraw/zinc/90/87/13/387908713.db2.gz ZGKKZVIUFXHEIS-HUUCEWRRSA-N 1 0 249.785 3.661 20 0 BHADRO Clc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000582777943 357387573 /nfs/dbraw/zinc/38/75/73/357387573.db2.gz ZGKKZVIUFXHEIS-LSDHHAIUSA-N 1 0 249.785 3.661 20 0 BHADRO c1cc(C[NH2+]C2CCC3(CCCCC3)CC2)on1 ZINC000582785583 357393256 /nfs/dbraw/zinc/39/32/56/357393256.db2.gz HTEUMLGVRMEUDL-UHFFFAOYSA-N 1 0 248.370 3.657 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000582800570 357399789 /nfs/dbraw/zinc/39/97/89/357399789.db2.gz ORSJSNZDEYGLMO-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000582800571 357399879 /nfs/dbraw/zinc/39/98/79/357399879.db2.gz ORSJSNZDEYGLMO-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCC1CC1 ZINC000582848139 357417939 /nfs/dbraw/zinc/41/79/39/357417939.db2.gz HNAOMPZJBAHXIR-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582857701 357421871 /nfs/dbraw/zinc/42/18/71/357421871.db2.gz WWBYSMOBTNJGSB-BTTYYORXSA-N 1 0 235.758 3.537 20 0 BHADRO CSCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000582857876 357415928 /nfs/dbraw/zinc/41/59/28/357415928.db2.gz JUMVBPABZSKBGK-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CCC1CC([NH2+]CC(C)(C)c2ccccc2F)C1 ZINC000582861265 357416058 /nfs/dbraw/zinc/41/60/58/357416058.db2.gz YUJCUONMGXOXLS-UHFFFAOYSA-N 1 0 249.373 3.882 20 0 BHADRO CCC[NH+](CCC)[C@H](C)c1cccc(OC)c1 ZINC000582863753 357415782 /nfs/dbraw/zinc/41/57/82/357415782.db2.gz VSDHESCDNGAYAQ-CYBMUJFWSA-N 1 0 235.371 3.878 20 0 BHADRO CCC[NH+](CCC)[C@@H](C)c1cccc(OC)c1 ZINC000582863754 357415648 /nfs/dbraw/zinc/41/56/48/357415648.db2.gz VSDHESCDNGAYAQ-ZDUSSCGKSA-N 1 0 235.371 3.878 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@H](C)C1CC1 ZINC000582866263 357417176 /nfs/dbraw/zinc/41/71/76/357417176.db2.gz GCNUCELGYGAPBP-CHWSQXEVSA-N 1 0 249.373 3.877 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H](C)C1CC1 ZINC000582866264 357417085 /nfs/dbraw/zinc/41/70/85/357417085.db2.gz GCNUCELGYGAPBP-OLZOCXBDSA-N 1 0 249.373 3.877 20 0 BHADRO C[C@H](C1CC1)[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000582866266 357416787 /nfs/dbraw/zinc/41/67/87/357416787.db2.gz GCNUCELGYGAPBP-QWHCGFSZSA-N 1 0 249.373 3.877 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H](C)C1CC1 ZINC000582866267 357417038 /nfs/dbraw/zinc/41/70/38/357417038.db2.gz GCNUCELGYGAPBP-STQMWFEESA-N 1 0 249.373 3.877 20 0 BHADRO FC(F)C1(C[NH2+]CCC2CCCCCC2)CC1 ZINC000582871953 357416669 /nfs/dbraw/zinc/41/66/69/357416669.db2.gz POJQCSVABDDQEX-UHFFFAOYSA-N 1 0 245.357 3.982 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000582875467 357418219 /nfs/dbraw/zinc/41/82/19/357418219.db2.gz YXJHLDHCMGUUNP-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000582875468 357417707 /nfs/dbraw/zinc/41/77/07/357417707.db2.gz YXJHLDHCMGUUNP-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC000582897654 357425089 /nfs/dbraw/zinc/42/50/89/357425089.db2.gz KJDZYHKXIHHXFL-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC000582897655 357424833 /nfs/dbraw/zinc/42/48/33/357424833.db2.gz KJDZYHKXIHHXFL-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC000582897656 357425358 /nfs/dbraw/zinc/42/53/58/357425358.db2.gz KJDZYHKXIHHXFL-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC000582897657 357424768 /nfs/dbraw/zinc/42/47/68/357424768.db2.gz KJDZYHKXIHHXFL-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000582912113 357434672 /nfs/dbraw/zinc/43/46/72/357434672.db2.gz RAKNDSROHJECFD-GFCCVEGCSA-N 1 0 241.444 3.783 20 0 BHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC1(SC)CC1 ZINC000582912114 357434022 /nfs/dbraw/zinc/43/40/22/357434022.db2.gz RAKNDSROHJECFD-LBPRGKRZSA-N 1 0 241.444 3.783 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(C)o1 ZINC000582932839 357432812 /nfs/dbraw/zinc/43/28/12/357432812.db2.gz VGPIMNQJSAGDQS-UHFFFAOYSA-N 1 0 209.333 3.599 20 0 BHADRO CCCn1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000582939926 357441449 /nfs/dbraw/zinc/44/14/49/357441449.db2.gz MVNLSGJVIUWBBY-CYBMUJFWSA-N 1 0 236.403 3.765 20 0 BHADRO CCCn1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000582939927 357441581 /nfs/dbraw/zinc/44/15/81/357441581.db2.gz MVNLSGJVIUWBBY-ZDUSSCGKSA-N 1 0 236.403 3.765 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c(Cl)c1 ZINC000582944148 357442591 /nfs/dbraw/zinc/44/25/91/357442591.db2.gz OCXJRMJZKJJNOL-LLVKDONJSA-N 1 0 237.774 3.879 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c(Cl)c1 ZINC000582944152 357442491 /nfs/dbraw/zinc/44/24/91/357442491.db2.gz OCXJRMJZKJJNOL-NSHDSACASA-N 1 0 237.774 3.879 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC=C(C)CC2)o1 ZINC000582979616 357444846 /nfs/dbraw/zinc/44/48/46/357444846.db2.gz WCHZPEFFXKQUBG-DZGCQCFKSA-N 1 0 247.382 3.998 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC=C(C)CC2)o1 ZINC000582979617 357445500 /nfs/dbraw/zinc/44/55/00/357445500.db2.gz WCHZPEFFXKQUBG-HIFRSBDPSA-N 1 0 247.382 3.998 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)o1 ZINC000582979618 357445412 /nfs/dbraw/zinc/44/54/12/357445412.db2.gz WCHZPEFFXKQUBG-UKRRQHHQSA-N 1 0 247.382 3.998 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC=C(C)CC2)o1 ZINC000582979619 357445533 /nfs/dbraw/zinc/44/55/33/357445533.db2.gz WCHZPEFFXKQUBG-ZFWWWQNUSA-N 1 0 247.382 3.998 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000583006533 357456220 /nfs/dbraw/zinc/45/62/20/357456220.db2.gz UOPYJBLVDSAEEX-NEPJUHHUSA-N 1 0 243.272 3.604 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000583006534 357456215 /nfs/dbraw/zinc/45/62/15/357456215.db2.gz UOPYJBLVDSAEEX-NWDGAFQWSA-N 1 0 243.272 3.604 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000583006535 357455891 /nfs/dbraw/zinc/45/58/91/357455891.db2.gz UOPYJBLVDSAEEX-RYUDHWBXSA-N 1 0 243.272 3.604 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000583006536 357456480 /nfs/dbraw/zinc/45/64/80/357456480.db2.gz UOPYJBLVDSAEEX-VXGBXAGGSA-N 1 0 243.272 3.604 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1C ZINC000583028729 357463281 /nfs/dbraw/zinc/46/32/81/357463281.db2.gz TZAGFIQVIZJWNG-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1C ZINC000583028734 357463471 /nfs/dbraw/zinc/46/34/71/357463471.db2.gz TZAGFIQVIZJWNG-VHDGCEQUSA-N 1 0 235.346 3.845 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000583040444 357466571 /nfs/dbraw/zinc/46/65/71/357466571.db2.gz IDUPFGMHDNATKB-CVEARBPZSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000583040445 357466543 /nfs/dbraw/zinc/46/65/43/357466543.db2.gz IDUPFGMHDNATKB-HOTGVXAUSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000583040446 357466801 /nfs/dbraw/zinc/46/68/01/357466801.db2.gz IDUPFGMHDNATKB-HZPDHXFCSA-N 1 0 243.394 3.786 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000583040447 357466701 /nfs/dbraw/zinc/46/67/01/357466701.db2.gz IDUPFGMHDNATKB-JKSUJKDBSA-N 1 0 243.394 3.786 20 0 BHADRO FC1(F)CCC[C@@H]1C[N@H+](C1CC1)C1CCCC1 ZINC000583065499 357472149 /nfs/dbraw/zinc/47/21/49/357472149.db2.gz FEOZUGOFNJXJBT-LLVKDONJSA-N 1 0 243.341 3.829 20 0 BHADRO FC1(F)CCC[C@H]1C[N@H+](C1CC1)C1CCCC1 ZINC000583065504 357471911 /nfs/dbraw/zinc/47/19/11/357471911.db2.gz FEOZUGOFNJXJBT-NSHDSACASA-N 1 0 243.341 3.829 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1C[C@H]1C ZINC000583071660 357473095 /nfs/dbraw/zinc/47/30/95/357473095.db2.gz IOHZOPCPZABTMF-GYSYKLTISA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1C[C@H]1C ZINC000583071661 357472659 /nfs/dbraw/zinc/47/26/59/357472659.db2.gz IOHZOPCPZABTMF-JTNHKYCSSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1C[C@H]1C ZINC000583071662 357473011 /nfs/dbraw/zinc/47/30/11/357473011.db2.gz IOHZOPCPZABTMF-SUNKGSAMSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1C[C@H]1C ZINC000583071663 357473055 /nfs/dbraw/zinc/47/30/55/357473055.db2.gz IOHZOPCPZABTMF-UHIISALHSA-N 1 0 229.323 3.567 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000583075328 357473124 /nfs/dbraw/zinc/47/31/24/357473124.db2.gz HVHUKOJWMSCGLL-AEGPPILISA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000583075329 357472756 /nfs/dbraw/zinc/47/27/56/357472756.db2.gz HVHUKOJWMSCGLL-CFVMTHIKSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000583075330 357472980 /nfs/dbraw/zinc/47/29/80/357472980.db2.gz HVHUKOJWMSCGLL-NWANDNLSSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000583075331 357472963 /nfs/dbraw/zinc/47/29/63/357472963.db2.gz HVHUKOJWMSCGLL-QEJZJMRPSA-N 1 0 235.346 3.845 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000583098781 357480440 /nfs/dbraw/zinc/48/04/40/357480440.db2.gz ZPMXEAGFNLERPI-USPMSXPRSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000583098782 357480508 /nfs/dbraw/zinc/48/05/08/357480508.db2.gz ZPMXEAGFNLERPI-UWLZSVRSSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000583098783 357479778 /nfs/dbraw/zinc/47/97/78/357479778.db2.gz ZPMXEAGFNLERPI-WLIAPVHPSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccnc([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000583098784 357479993 /nfs/dbraw/zinc/47/99/93/357479993.db2.gz ZPMXEAGFNLERPI-WOICTCIZSA-N 1 0 244.382 3.619 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000583112901 357476063 /nfs/dbraw/zinc/47/60/63/357476063.db2.gz LLURSCMBDQVNMM-HNNXBMFYSA-N 1 0 249.398 3.526 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000583112902 357476386 /nfs/dbraw/zinc/47/63/86/357476386.db2.gz LLURSCMBDQVNMM-OAHLLOKOSA-N 1 0 249.398 3.526 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(C)(F)F)[C@H]2CCCC[C@@H]12 ZINC000583124625 357491882 /nfs/dbraw/zinc/49/18/82/357491882.db2.gz QDPNNVZDLLGUOR-AGIUHOORSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(C)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000583124629 357492391 /nfs/dbraw/zinc/49/23/91/357492391.db2.gz QDPNNVZDLLGUOR-FRRDWIJNSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(C)(F)F)[C@@H]2CCCC[C@H]12 ZINC000583124630 357491939 /nfs/dbraw/zinc/49/19/39/357491939.db2.gz QDPNNVZDLLGUOR-JHJVBQTASA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(C)(F)F)[C@H]2CCCC[C@H]12 ZINC000583124631 357491762 /nfs/dbraw/zinc/49/17/62/357491762.db2.gz QDPNNVZDLLGUOR-UPJWGTAASA-N 1 0 245.357 3.932 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000583125649 357480091 /nfs/dbraw/zinc/48/00/91/357480091.db2.gz IKONRGWRFCHJNM-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000583125650 357480320 /nfs/dbraw/zinc/48/03/20/357480320.db2.gz IKONRGWRFCHJNM-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000583125724 357479783 /nfs/dbraw/zinc/47/97/83/357479783.db2.gz PTKCGMGGBRRVCO-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000583125725 357480240 /nfs/dbraw/zinc/48/02/40/357480240.db2.gz PTKCGMGGBRRVCO-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cscn1 ZINC000583126010 357480398 /nfs/dbraw/zinc/48/03/98/357480398.db2.gz SAIQTHBNPNGLED-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cscn1 ZINC000583126011 357480513 /nfs/dbraw/zinc/48/05/13/357480513.db2.gz SAIQTHBNPNGLED-QJPTWQEYSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cscn1 ZINC000583126012 357480252 /nfs/dbraw/zinc/48/02/52/357480252.db2.gz SAIQTHBNPNGLED-TUAOUCFPSA-N 1 0 238.400 3.620 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cscn1 ZINC000583126013 357480499 /nfs/dbraw/zinc/48/04/99/357480499.db2.gz SAIQTHBNPNGLED-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000583127611 357481552 /nfs/dbraw/zinc/48/15/52/357481552.db2.gz SFCSVXSZQUPPFY-GXTWGEPZSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@H]1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000583127612 357481646 /nfs/dbraw/zinc/48/16/46/357481646.db2.gz SFCSVXSZQUPPFY-JSGCOSHPSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000583127613 357481193 /nfs/dbraw/zinc/48/11/93/357481193.db2.gz SFCSVXSZQUPPFY-OCCSQVGLSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000583127614 357481093 /nfs/dbraw/zinc/48/10/93/357481093.db2.gz SFCSVXSZQUPPFY-TZMCWYRMSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)C(C)(C)C)o1 ZINC000583145509 357494341 /nfs/dbraw/zinc/49/43/41/357494341.db2.gz JKWWSRWLJWGQCO-CMPLNLGQSA-N 1 0 221.344 3.633 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)C(C)(C)C)o1 ZINC000583145510 357494921 /nfs/dbraw/zinc/49/49/21/357494921.db2.gz JKWWSRWLJWGQCO-JQWIXIFHSA-N 1 0 221.344 3.633 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C(C)(C)C)o1 ZINC000583145511 357494557 /nfs/dbraw/zinc/49/45/57/357494557.db2.gz JKWWSRWLJWGQCO-PWSUYJOCSA-N 1 0 221.344 3.633 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C(C)(C)C)o1 ZINC000583145512 357494942 /nfs/dbraw/zinc/49/49/42/357494942.db2.gz JKWWSRWLJWGQCO-ZYHUDNBSSA-N 1 0 221.344 3.633 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000583158937 357498562 /nfs/dbraw/zinc/49/85/62/357498562.db2.gz WXCPWHVBKHMBII-DZGCQCFKSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000583158941 357498567 /nfs/dbraw/zinc/49/85/67/357498567.db2.gz WXCPWHVBKHMBII-HIFRSBDPSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000583158943 357498732 /nfs/dbraw/zinc/49/87/32/357498732.db2.gz WXCPWHVBKHMBII-UKRRQHHQSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(O[C@@H](C)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000583158945 357498717 /nfs/dbraw/zinc/49/87/17/357498717.db2.gz WXCPWHVBKHMBII-ZFWWWQNUSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc(C[N@@H+](CC(C)C)C2CC2)c(C)c1 ZINC000583161149 357498406 /nfs/dbraw/zinc/49/84/06/357498406.db2.gz KEXNCFJOHJZQCM-UHFFFAOYSA-N 1 0 231.383 3.924 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCc2c1cccc2O ZINC000583164765 357500436 /nfs/dbraw/zinc/50/04/36/357500436.db2.gz JJYUELSAVHMDLO-HNNXBMFYSA-N 1 0 247.382 3.938 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000583164768 357500356 /nfs/dbraw/zinc/50/03/56/357500356.db2.gz JJYUELSAVHMDLO-OAHLLOKOSA-N 1 0 247.382 3.938 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(C)(C)C1)CO2 ZINC000583169048 357500410 /nfs/dbraw/zinc/50/04/10/357500410.db2.gz ZBKFNEZAZZMRBX-GXTWGEPZSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)CO2 ZINC000583169049 357500294 /nfs/dbraw/zinc/50/02/94/357500294.db2.gz ZBKFNEZAZZMRBX-JSGCOSHPSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)CO2 ZINC000583169050 357500395 /nfs/dbraw/zinc/50/03/95/357500395.db2.gz ZBKFNEZAZZMRBX-OCCSQVGLSA-N 1 0 245.366 3.597 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)CO2 ZINC000583169051 357500104 /nfs/dbraw/zinc/50/01/04/357500104.db2.gz ZBKFNEZAZZMRBX-TZMCWYRMSA-N 1 0 245.366 3.597 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000583184006 357511118 /nfs/dbraw/zinc/51/11/18/357511118.db2.gz VWNSAKYAGQRJQK-DZGCQCFKSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000583184007 357510613 /nfs/dbraw/zinc/51/06/13/357510613.db2.gz VWNSAKYAGQRJQK-HIFRSBDPSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000583184008 357511136 /nfs/dbraw/zinc/51/11/36/357511136.db2.gz VWNSAKYAGQRJQK-UKRRQHHQSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000583184009 357511068 /nfs/dbraw/zinc/51/10/68/357511068.db2.gz VWNSAKYAGQRJQK-ZFWWWQNUSA-N 1 0 217.356 3.520 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCc1ccsc1 ZINC000583185935 357514280 /nfs/dbraw/zinc/51/42/80/357514280.db2.gz MNHGQWZTRJNCIU-LLVKDONJSA-N 1 0 225.401 3.705 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCc1ccsc1 ZINC000583185970 357513862 /nfs/dbraw/zinc/51/38/62/357513862.db2.gz MNHGQWZTRJNCIU-NSHDSACASA-N 1 0 225.401 3.705 20 0 BHADRO C[N@H+](Cc1ccco1)[C@@H]1C=CCCCCC1 ZINC000583217141 357587232 /nfs/dbraw/zinc/58/72/32/357587232.db2.gz NQNNXGWWYIDTBS-CYBMUJFWSA-N 1 0 219.328 3.600 20 0 BHADRO C[N@H+](Cc1ccco1)[C@H]1C=CCCCCC1 ZINC000583217142 357587256 /nfs/dbraw/zinc/58/72/56/357587256.db2.gz NQNNXGWWYIDTBS-ZDUSSCGKSA-N 1 0 219.328 3.600 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000583220079 357613573 /nfs/dbraw/zinc/61/35/73/357613573.db2.gz MFDGEQCIRHZTCV-NEPJUHHUSA-N 1 0 245.370 3.792 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000583220086 357614331 /nfs/dbraw/zinc/61/43/31/357614331.db2.gz MFDGEQCIRHZTCV-NWDGAFQWSA-N 1 0 245.370 3.792 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000583220087 357613893 /nfs/dbraw/zinc/61/38/93/357613893.db2.gz MFDGEQCIRHZTCV-RYUDHWBXSA-N 1 0 245.370 3.792 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000583220088 357613541 /nfs/dbraw/zinc/61/35/41/357613541.db2.gz MFDGEQCIRHZTCV-VXGBXAGGSA-N 1 0 245.370 3.792 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(c2ccccc2C)CC1 ZINC000583221939 357624711 /nfs/dbraw/zinc/62/47/11/357624711.db2.gz NXVZLJLSFOXMQA-GDBMZVCRSA-N 1 0 243.394 3.805 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(c2ccccc2C)CC1 ZINC000583221940 357624645 /nfs/dbraw/zinc/62/46/45/357624645.db2.gz NXVZLJLSFOXMQA-GOEBONIOSA-N 1 0 243.394 3.805 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2C)CC1 ZINC000583221941 357625254 /nfs/dbraw/zinc/62/52/54/357625254.db2.gz NXVZLJLSFOXMQA-HOCLYGCPSA-N 1 0 243.394 3.805 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2C)CC1 ZINC000583221942 357625445 /nfs/dbraw/zinc/62/54/45/357625445.db2.gz NXVZLJLSFOXMQA-ZBFHGGJFSA-N 1 0 243.394 3.805 20 0 BHADRO CCC(CC)(CC)C[NH+]1CCC(C)(OC)CC1 ZINC000583227875 398057575 /nfs/dbraw/zinc/05/75/75/398057575.db2.gz DOGDMCSHLYUSBN-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO c1cc2c(cc1C[NH2+]C1(C3CC3)CC1)CCCC2 ZINC000583239338 357675765 /nfs/dbraw/zinc/67/57/65/357675765.db2.gz YJLMCMMOHGRJPX-UHFFFAOYSA-N 1 0 241.378 3.598 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000583250309 357712773 /nfs/dbraw/zinc/71/27/73/357712773.db2.gz NHIKMTLBKRHVLE-IJLUTSLNSA-N 1 0 221.344 3.550 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000583250310 357712698 /nfs/dbraw/zinc/71/26/98/357712698.db2.gz NHIKMTLBKRHVLE-QJPTWQEYSA-N 1 0 221.344 3.550 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+]C2(CF)CCC2)c1 ZINC000583264160 357743074 /nfs/dbraw/zinc/74/30/74/357743074.db2.gz MRQPZUJRJHXFGC-AWEZNQCLSA-N 1 0 249.373 3.798 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+]C2(CF)CCC2)c1 ZINC000583264164 357742616 /nfs/dbraw/zinc/74/26/16/357742616.db2.gz MRQPZUJRJHXFGC-CQSZACIVSA-N 1 0 249.373 3.798 20 0 BHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000583281291 357822256 /nfs/dbraw/zinc/82/22/56/357822256.db2.gz QHTHBDPXIFXFNR-CYDGBPFRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000583281292 357822330 /nfs/dbraw/zinc/82/23/30/357822330.db2.gz QHTHBDPXIFXFNR-NDBYEHHHSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000583281293 357822292 /nfs/dbraw/zinc/82/22/92/357822292.db2.gz QHTHBDPXIFXFNR-RNJOBUHISA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000583281294 357822300 /nfs/dbraw/zinc/82/23/00/357822300.db2.gz QHTHBDPXIFXFNR-VOAKCMCISA-N 1 0 245.357 3.835 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000583303022 357888758 /nfs/dbraw/zinc/88/87/58/357888758.db2.gz OUJQONRLNQVJQJ-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000583303023 357889083 /nfs/dbraw/zinc/88/90/83/357889083.db2.gz OUJQONRLNQVJQJ-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO CC1CC([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000583310559 357892412 /nfs/dbraw/zinc/89/24/12/357892412.db2.gz FTKQIPQKUZIURX-UHFFFAOYSA-N 1 0 229.367 3.842 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000583321447 357903104 /nfs/dbraw/zinc/90/31/04/357903104.db2.gz JNFWXRBBQKLDAE-AAEUAGOBSA-N 1 0 213.340 3.580 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000583321448 357903318 /nfs/dbraw/zinc/90/33/18/357903318.db2.gz JNFWXRBBQKLDAE-DGCLKSJQSA-N 1 0 213.340 3.580 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000583321449 357903419 /nfs/dbraw/zinc/90/34/19/357903419.db2.gz JNFWXRBBQKLDAE-WCQYABFASA-N 1 0 213.340 3.580 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000583321450 357903049 /nfs/dbraw/zinc/90/30/49/357903049.db2.gz JNFWXRBBQKLDAE-YPMHNXCESA-N 1 0 213.340 3.580 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000583336657 342739308 /nfs/dbraw/zinc/73/93/08/342739308.db2.gz WSHHTXQOEGWLLX-CYBMUJFWSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000583336658 342739299 /nfs/dbraw/zinc/73/92/99/342739299.db2.gz WSHHTXQOEGWLLX-ZDUSSCGKSA-N 1 0 247.382 3.843 20 0 BHADRO CCC(CC)[N@H+](CC)CCCC1CCOCC1 ZINC000583345935 344716230 /nfs/dbraw/zinc/71/62/30/344716230.db2.gz XXILFVNQWQTGPF-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CSC1(C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000583348325 344739169 /nfs/dbraw/zinc/73/91/69/344739169.db2.gz JGJLFOUUOXJXAQ-CYBMUJFWSA-N 1 0 249.423 3.618 20 0 BHADRO CSC1(C[N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000583348326 344739153 /nfs/dbraw/zinc/73/91/53/344739153.db2.gz JGJLFOUUOXJXAQ-ZDUSSCGKSA-N 1 0 249.423 3.618 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C[C@@H]1C[C@H]1C)C1CC1 ZINC000583348984 344741099 /nfs/dbraw/zinc/74/10/99/344741099.db2.gz PCZSMKVRQNJWBV-IPYPFGDCSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C[C@@H]1C[C@H]1C)C1CC1 ZINC000583348985 344741051 /nfs/dbraw/zinc/74/10/51/344741051.db2.gz PCZSMKVRQNJWBV-NFAWXSAZSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C[C@H]1C[C@H]1C)C1CC1 ZINC000583348986 344740841 /nfs/dbraw/zinc/74/08/41/344740841.db2.gz PCZSMKVRQNJWBV-UMVBOHGHSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C[C@H]1C[C@H]1C)C1CC1 ZINC000583348987 344740995 /nfs/dbraw/zinc/74/09/95/344740995.db2.gz PCZSMKVRQNJWBV-VNHYZAJKSA-N 1 0 229.367 3.868 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@@H]2C(C)(C)C)CCC1 ZINC000583353237 344749309 /nfs/dbraw/zinc/74/93/09/344749309.db2.gz IHILAUMHQQHIAW-GFCCVEGCSA-N 1 0 241.444 3.783 20 0 BHADRO CSC1(C[N@@H+]2CCC[C@H]2C(C)(C)C)CCC1 ZINC000583353238 344749500 /nfs/dbraw/zinc/74/95/00/344749500.db2.gz IHILAUMHQQHIAW-LBPRGKRZSA-N 1 0 241.444 3.783 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(SC)s1 ZINC000583353547 344747624 /nfs/dbraw/zinc/74/76/24/344747624.db2.gz VMYLIEFHYVXGIO-JTQLQIEISA-N 1 0 241.425 3.844 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(SC)s1 ZINC000583353548 344747675 /nfs/dbraw/zinc/74/76/75/344747675.db2.gz VMYLIEFHYVXGIO-SNVBAGLBSA-N 1 0 241.425 3.844 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCCCOc1ccccc1 ZINC000583354560 344749688 /nfs/dbraw/zinc/74/96/88/344749688.db2.gz XVKQFIBILGRIHB-AWEZNQCLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCCCOc1ccccc1 ZINC000583354561 344749213 /nfs/dbraw/zinc/74/92/13/344749213.db2.gz XVKQFIBILGRIHB-CQSZACIVSA-N 1 0 247.382 3.576 20 0 BHADRO CC[C@H]([NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000583369457 344838800 /nfs/dbraw/zinc/83/88/00/344838800.db2.gz FSZIJXALIHWOKZ-IMRCBTMISA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000583369458 344838481 /nfs/dbraw/zinc/83/84/81/344838481.db2.gz FSZIJXALIHWOKZ-QWFMPGPPSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000583385942 344867623 /nfs/dbraw/zinc/86/76/23/344867623.db2.gz AITSTIWDBSDXNE-BXUZGUMPSA-N 1 0 247.382 3.794 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000583385943 344867624 /nfs/dbraw/zinc/86/76/24/344867624.db2.gz AITSTIWDBSDXNE-RISCZKNCSA-N 1 0 247.382 3.794 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000583396898 344889554 /nfs/dbraw/zinc/88/95/54/344889554.db2.gz QITVGAOBWMQQNJ-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cc(C)cc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000583396899 344889481 /nfs/dbraw/zinc/88/94/81/344889481.db2.gz QITVGAOBWMQQNJ-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)c1ccc(O[C@H](C)C[NH2+]CC2CC2)cc1 ZINC000583403647 344899075 /nfs/dbraw/zinc/89/90/75/344899075.db2.gz KJVGRJGJYLYRJG-CYBMUJFWSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccc(O[C@@H](C)C[NH2+]CC2CC2)cc1 ZINC000583403648 344899103 /nfs/dbraw/zinc/89/91/03/344899103.db2.gz KJVGRJGJYLYRJG-ZDUSSCGKSA-N 1 0 247.382 3.577 20 0 BHADRO c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CCC2)cc1 ZINC000583416296 344919221 /nfs/dbraw/zinc/91/92/21/344919221.db2.gz VSFHDHYSQPPHBG-CVEARBPZSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CCC2)cc1 ZINC000583416297 344919729 /nfs/dbraw/zinc/91/97/29/344919729.db2.gz VSFHDHYSQPPHBG-HOTGVXAUSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc([C@H]2CCC[C@H]2[NH2+]CC2CCC2)cc1 ZINC000583416298 344919291 /nfs/dbraw/zinc/91/92/91/344919291.db2.gz VSFHDHYSQPPHBG-HZPDHXFCSA-N 1 0 229.367 3.712 20 0 BHADRO CC[C@H]([NH2+]CCCc1cccs1)C1CCC1 ZINC000583421708 344934480 /nfs/dbraw/zinc/93/44/80/344934480.db2.gz RCYJRIPBLRCDNL-AWEZNQCLSA-N 1 0 237.412 3.849 20 0 BHADRO CC[C@@H]([NH2+]CCCc1cccs1)C1CCC1 ZINC000583421709 344934274 /nfs/dbraw/zinc/93/42/74/344934274.db2.gz RCYJRIPBLRCDNL-CQSZACIVSA-N 1 0 237.412 3.849 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC(CC)(CC)CCO ZINC000583423123 344934889 /nfs/dbraw/zinc/93/48/89/344934889.db2.gz WBXQAGIOCKDPEA-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC(CC)(CC)CCO ZINC000583423124 344934814 /nfs/dbraw/zinc/93/48/14/344934814.db2.gz WBXQAGIOCKDPEA-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO c1ccc2[nH]c(CCCSC3CCC3)nc2c1 ZINC000583444924 344986001 /nfs/dbraw/zinc/98/60/01/344986001.db2.gz PWYZMEXXHPQXMV-UHFFFAOYSA-N 1 0 246.379 3.781 20 0 BHADRO COC1(C[NH2+][C@H](C)C2CCCCCC2)CCC1 ZINC000583466418 349225088 /nfs/dbraw/zinc/22/50/88/349225088.db2.gz FHDNNONYIZLHHU-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)C2CCCCCC2)CCC1 ZINC000583466419 349225260 /nfs/dbraw/zinc/22/52/60/349225260.db2.gz FHDNNONYIZLHHU-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(Cl)o1 ZINC000583468405 349230030 /nfs/dbraw/zinc/23/00/30/349230030.db2.gz UBYVVZFQRBEEBB-NXEZZACHSA-N 1 0 227.735 3.696 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(Cl)o1 ZINC000583468406 349229680 /nfs/dbraw/zinc/22/96/80/349229680.db2.gz UBYVVZFQRBEEBB-UWVGGRQHSA-N 1 0 227.735 3.696 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(Cl)o1 ZINC000583468407 349229580 /nfs/dbraw/zinc/22/95/80/349229580.db2.gz UBYVVZFQRBEEBB-VHSXEESVSA-N 1 0 227.735 3.696 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(Cl)o1 ZINC000583468408 349229815 /nfs/dbraw/zinc/22/98/15/349229815.db2.gz UBYVVZFQRBEEBB-ZJUUUORDSA-N 1 0 227.735 3.696 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000583476396 349284512 /nfs/dbraw/zinc/28/45/12/349284512.db2.gz QTWTWVWDCLBJRY-AWEZNQCLSA-N 1 0 229.367 3.584 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000583476397 349284361 /nfs/dbraw/zinc/28/43/61/349284361.db2.gz QTWTWVWDCLBJRY-CQSZACIVSA-N 1 0 229.367 3.584 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1ccncc1C ZINC000583480647 351143806 /nfs/dbraw/zinc/14/38/06/351143806.db2.gz BRHPWRHOVBMCII-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccncc1C ZINC000583480648 351143885 /nfs/dbraw/zinc/14/38/85/351143885.db2.gz BRHPWRHOVBMCII-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccncc1C)C(C)(C)C ZINC000583480784 351588426 /nfs/dbraw/zinc/58/84/26/351588426.db2.gz DTBSKOKNVFLFIL-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccncc1C)C(C)(C)C ZINC000583480785 351588344 /nfs/dbraw/zinc/58/83/44/351588344.db2.gz DTBSKOKNVFLFIL-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@H]2CC[C@H]2C)C2CC2)c1 ZINC000583491187 352669232 /nfs/dbraw/zinc/66/92/32/352669232.db2.gz KWPTYBACZXJDQI-COXVUDFISA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@H]2CC[C@@H]2C)C2CC2)c1 ZINC000583491188 352669159 /nfs/dbraw/zinc/66/91/59/352669159.db2.gz KWPTYBACZXJDQI-JQFCIGGWSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H]2C)C2CC2)c1 ZINC000583491189 352669015 /nfs/dbraw/zinc/66/90/15/352669015.db2.gz KWPTYBACZXJDQI-XKQJLSEDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H]2C)C2CC2)c1 ZINC000583491190 352669221 /nfs/dbraw/zinc/66/92/21/352669221.db2.gz KWPTYBACZXJDQI-XYPHTWIQSA-N 1 0 243.394 3.704 20 0 BHADRO COCC1(CC[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000583499361 355332302 /nfs/dbraw/zinc/33/23/02/355332302.db2.gz CSNSVLJZEYUBJX-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC1(CC[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000583499362 355332785 /nfs/dbraw/zinc/33/27/85/355332785.db2.gz CSNSVLJZEYUBJX-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)cc1 ZINC000583499785 355333130 /nfs/dbraw/zinc/33/31/30/355333130.db2.gz ZVPFFGJKBCXPOD-AEGPPILISA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)cc1 ZINC000583499786 355333547 /nfs/dbraw/zinc/33/35/47/355333547.db2.gz ZVPFFGJKBCXPOD-CFVMTHIKSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)cc1 ZINC000583499787 355333594 /nfs/dbraw/zinc/33/35/94/355333594.db2.gz ZVPFFGJKBCXPOD-NWANDNLSSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)cc1 ZINC000583499788 355333224 /nfs/dbraw/zinc/33/32/24/355333224.db2.gz ZVPFFGJKBCXPOD-QEJZJMRPSA-N 1 0 235.346 3.926 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000583512078 355348619 /nfs/dbraw/zinc/34/86/19/355348619.db2.gz NOKRSOYECPKAJR-GHMZBOCLSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000583512079 355348910 /nfs/dbraw/zinc/34/89/10/355348910.db2.gz NOKRSOYECPKAJR-MNOVXSKESA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000583512080 355348676 /nfs/dbraw/zinc/34/86/76/355348676.db2.gz NOKRSOYECPKAJR-QWRGUYRKSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000583512081 355348875 /nfs/dbraw/zinc/34/88/75/355348875.db2.gz NOKRSOYECPKAJR-WDEREUQCSA-N 1 0 249.320 3.743 20 0 BHADRO CCC[C@H]([NH2+]Cc1cocn1)C1CCCCC1 ZINC000583517559 355384009 /nfs/dbraw/zinc/38/40/09/355384009.db2.gz CGXBROIRPHIJBR-AWEZNQCLSA-N 1 0 236.359 3.513 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cocn1)C1CCCCC1 ZINC000583517560 355384135 /nfs/dbraw/zinc/38/41/35/355384135.db2.gz CGXBROIRPHIJBR-CQSZACIVSA-N 1 0 236.359 3.513 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1)[C@H](C)CC ZINC000583517791 355383941 /nfs/dbraw/zinc/38/39/41/355383941.db2.gz OJHCULWFCKXSPH-GFCCVEGCSA-N 1 0 223.335 3.836 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1)[C@@H](C)CC ZINC000583517792 355383931 /nfs/dbraw/zinc/38/39/31/355383931.db2.gz OJHCULWFCKXSPH-LBPRGKRZSA-N 1 0 223.335 3.836 20 0 BHADRO CSC1(C[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000583526339 355388797 /nfs/dbraw/zinc/38/87/97/355388797.db2.gz HSUDHGOQCZQRGP-UHFFFAOYSA-N 1 0 239.428 3.560 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@@H](C)C(F)(F)F ZINC000583534210 355396537 /nfs/dbraw/zinc/39/65/37/355396537.db2.gz CXOJBCQAIKTXHT-NXEZZACHSA-N 1 0 225.298 3.695 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@H](C)C(F)(F)F ZINC000583534211 355396061 /nfs/dbraw/zinc/39/60/61/355396061.db2.gz CXOJBCQAIKTXHT-UWVGGRQHSA-N 1 0 225.298 3.695 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@H](C)C(F)(F)F ZINC000583534212 355396256 /nfs/dbraw/zinc/39/62/56/355396256.db2.gz CXOJBCQAIKTXHT-VHSXEESVSA-N 1 0 225.298 3.695 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@@H](C)C(F)(F)F ZINC000583534213 355396384 /nfs/dbraw/zinc/39/63/84/355396384.db2.gz CXOJBCQAIKTXHT-ZJUUUORDSA-N 1 0 225.298 3.695 20 0 BHADRO COc1ccc(C[N@H+](C)C(C)(C)C)cc1Cl ZINC000583562742 355613337 /nfs/dbraw/zinc/61/33/37/355613337.db2.gz JPKGIUDTJKQLHK-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cc2ccccc2o1 ZINC000583579508 355686335 /nfs/dbraw/zinc/68/63/35/355686335.db2.gz SDUGQFJIBJHQKW-KGYLQXTDSA-N 1 0 247.313 3.974 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cc2ccccc2o1 ZINC000583579509 355686304 /nfs/dbraw/zinc/68/63/04/355686304.db2.gz SDUGQFJIBJHQKW-WCFLWFBJSA-N 1 0 247.313 3.974 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000583588346 355703280 /nfs/dbraw/zinc/70/32/80/355703280.db2.gz ZEUOQUDREOJMCB-UHFFFAOYSA-N 1 0 221.319 3.532 20 0 BHADRO CC(C)COc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1 ZINC000583599335 355719844 /nfs/dbraw/zinc/71/98/44/355719844.db2.gz KAROGFUWKPBPFJ-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000583599336 355719649 /nfs/dbraw/zinc/71/96/49/355719649.db2.gz KAROGFUWKPBPFJ-OKILXGFUSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)COc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1 ZINC000583599337 355719958 /nfs/dbraw/zinc/71/99/58/355719958.db2.gz KAROGFUWKPBPFJ-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)C1CC([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000583600348 355732027 /nfs/dbraw/zinc/73/20/27/355732027.db2.gz BJUCEYGORDKUIE-LDZOIKDWSA-N 1 0 247.357 3.837 20 0 BHADRO CC(C)C1CC([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000583600349 355732270 /nfs/dbraw/zinc/73/22/70/355732270.db2.gz BJUCEYGORDKUIE-PXCJXSSVSA-N 1 0 247.357 3.837 20 0 BHADRO CCCOc1ccc(C[N@@H+]2CCC=C(C)C2)cc1 ZINC000583602849 355729471 /nfs/dbraw/zinc/72/94/71/355729471.db2.gz AKKIFYPQLJRXJN-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C2CCC2)CCC1 ZINC000583610379 355757516 /nfs/dbraw/zinc/75/75/16/355757516.db2.gz SBELDIJMMOYLLV-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C2CCC2)CCC1 ZINC000583610380 355758127 /nfs/dbraw/zinc/75/81/27/355758127.db2.gz SBELDIJMMOYLLV-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C)no1 ZINC000583617056 355833504 /nfs/dbraw/zinc/83/35/04/355833504.db2.gz LSNOUUSKZUMJIK-CMPLNLGQSA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CCC(C)(C)C)no1 ZINC000583617057 355833197 /nfs/dbraw/zinc/83/31/97/355833197.db2.gz LSNOUUSKZUMJIK-JQWIXIFHSA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)CCC(C)(C)C)no1 ZINC000583617058 355833388 /nfs/dbraw/zinc/83/33/88/355833388.db2.gz LSNOUUSKZUMJIK-PWSUYJOCSA-N 1 0 238.375 3.848 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCC(C)(C)C)no1 ZINC000583617059 355833300 /nfs/dbraw/zinc/83/33/00/355833300.db2.gz LSNOUUSKZUMJIK-ZYHUDNBSSA-N 1 0 238.375 3.848 20 0 BHADRO CC1(C)c2ccccc2CC[N@H+]1CCCCF ZINC000583646614 355956756 /nfs/dbraw/zinc/95/67/56/355956756.db2.gz TZHVWNMRFXRFKJ-UHFFFAOYSA-N 1 0 235.346 3.530 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000583708573 357313557 /nfs/dbraw/zinc/31/35/57/357313557.db2.gz GVLVYLOQMUELHC-JHANDDDOSA-N 1 0 233.330 3.591 20 0 BHADRO CCC1CC([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000583708574 357313136 /nfs/dbraw/zinc/31/31/36/357313136.db2.gz GVLVYLOQMUELHC-KHXKVGHRSA-N 1 0 233.330 3.591 20 0 BHADRO Clc1cccc([C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000583709209 357313347 /nfs/dbraw/zinc/31/33/47/357313347.db2.gz PLUGAXRDBTZUKW-CYBMUJFWSA-N 1 0 235.758 3.539 20 0 BHADRO Clc1cccc([C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000583709210 357313478 /nfs/dbraw/zinc/31/34/78/357313478.db2.gz PLUGAXRDBTZUKW-ZDUSSCGKSA-N 1 0 235.758 3.539 20 0 BHADRO CC[C@H](C)[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583725122 357909985 /nfs/dbraw/zinc/90/99/85/357909985.db2.gz UXGDBSIAWXOFQY-JTQLQIEISA-N 1 0 243.753 3.752 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583725123 357909784 /nfs/dbraw/zinc/90/97/84/357909784.db2.gz UXGDBSIAWXOFQY-SNVBAGLBSA-N 1 0 243.753 3.752 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1CC2(C1)CCCC2 ZINC000583738706 357930627 /nfs/dbraw/zinc/93/06/27/357930627.db2.gz QNNRLJYCPUULGS-GFCCVEGCSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1CC2(C1)CCCC2 ZINC000583738707 357930613 /nfs/dbraw/zinc/93/06/13/357930613.db2.gz QNNRLJYCPUULGS-LBPRGKRZSA-N 1 0 235.396 3.555 20 0 BHADRO CC(C)CCC[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000583765599 357938408 /nfs/dbraw/zinc/93/84/08/357938408.db2.gz YTDNNIUIMOALPP-UHFFFAOYSA-N 1 0 244.382 3.736 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000583767636 357932679 /nfs/dbraw/zinc/93/26/79/357932679.db2.gz OPACTECRJHWNLB-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)cc1 ZINC000583767637 357932439 /nfs/dbraw/zinc/93/24/39/357932439.db2.gz OPACTECRJHWNLB-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2c(F)cccc2F)C1 ZINC000583768140 357943435 /nfs/dbraw/zinc/94/34/35/357943435.db2.gz LNIYOVUYLKCMSH-KPPDAEKUSA-N 1 0 239.309 3.804 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2c(F)cccc2F)C1 ZINC000583768141 357943739 /nfs/dbraw/zinc/94/37/39/357943739.db2.gz LNIYOVUYLKCMSH-WHXUTIOJSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000583769245 357943749 /nfs/dbraw/zinc/94/37/49/357943749.db2.gz XLXMPRFEYVPLLC-GDBMZVCRSA-N 1 0 246.398 3.607 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000583769246 357942996 /nfs/dbraw/zinc/94/29/96/357942996.db2.gz XLXMPRFEYVPLLC-GOEBONIOSA-N 1 0 246.398 3.607 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000583769247 357943422 /nfs/dbraw/zinc/94/34/22/357943422.db2.gz XLXMPRFEYVPLLC-HOCLYGCPSA-N 1 0 246.398 3.607 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000583769248 357943149 /nfs/dbraw/zinc/94/31/49/357943149.db2.gz XLXMPRFEYVPLLC-ZBFHGGJFSA-N 1 0 246.398 3.607 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000583771233 357940819 /nfs/dbraw/zinc/94/08/19/357940819.db2.gz PWYFIQBGDCFVEA-COXVUDFISA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000583771234 357940844 /nfs/dbraw/zinc/94/08/44/357940844.db2.gz PWYFIQBGDCFVEA-KBRIMQKVSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000583771235 357940506 /nfs/dbraw/zinc/94/05/06/357940506.db2.gz PWYFIQBGDCFVEA-XOKHGSTOSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000583771236 357940356 /nfs/dbraw/zinc/94/03/56/357940356.db2.gz PWYFIQBGDCFVEA-XYPHTWIQSA-N 1 0 243.394 3.877 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@H](C)C3CC3)cc2c1 ZINC000583803836 357953107 /nfs/dbraw/zinc/95/31/07/357953107.db2.gz QKXBMGAAJMODSW-LLVKDONJSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@@H](C)C3CC3)cc2c1 ZINC000583803837 357952747 /nfs/dbraw/zinc/95/27/47/357952747.db2.gz QKXBMGAAJMODSW-NSHDSACASA-N 1 0 229.323 3.629 20 0 BHADRO COc1ccccc1/C=C\C[NH2+][C@H](C)C(C)(C)C ZINC000583817368 357961126 /nfs/dbraw/zinc/96/11/26/357961126.db2.gz JKOKIYHHDXJIKQ-CHOZFAJLSA-N 1 0 247.382 3.733 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000583826974 357959059 /nfs/dbraw/zinc/95/90/59/357959059.db2.gz JZBSQCVAOWGZSJ-DLBZAZTESA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000583826975 357959039 /nfs/dbraw/zinc/95/90/39/357959039.db2.gz JZBSQCVAOWGZSJ-IAGOWNOFSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000583826976 357959171 /nfs/dbraw/zinc/95/91/71/357959171.db2.gz JZBSQCVAOWGZSJ-IRXDYDNUSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000583826977 357958696 /nfs/dbraw/zinc/95/86/96/357958696.db2.gz JZBSQCVAOWGZSJ-SJORKVTESA-N 1 0 243.394 3.958 20 0 BHADRO Cc1ccncc1CCC[NH2+][C@@H](C)CCC(C)C ZINC000583838937 357968756 /nfs/dbraw/zinc/96/87/56/357968756.db2.gz MNHIIQMRTSVAKV-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccncc1CCC[NH2+][C@H](C)CCC(C)C ZINC000583838938 357969601 /nfs/dbraw/zinc/96/96/01/357969601.db2.gz MNHIIQMRTSVAKV-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000583842370 357976232 /nfs/dbraw/zinc/97/62/32/357976232.db2.gz QIVCONRHHNQYQR-ILXRZTDVSA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000583842371 357976222 /nfs/dbraw/zinc/97/62/22/357976222.db2.gz QIVCONRHHNQYQR-KFWWJZLASA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000583842372 357976410 /nfs/dbraw/zinc/97/64/10/357976410.db2.gz QIVCONRHHNQYQR-QLFBSQMISA-N 1 0 249.398 3.686 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000583842373 357976467 /nfs/dbraw/zinc/97/64/67/357976467.db2.gz QIVCONRHHNQYQR-RBSFLKMASA-N 1 0 249.398 3.686 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000583852516 357975565 /nfs/dbraw/zinc/97/55/65/357975565.db2.gz VJBRLYXIJMMKPX-MRLBHPIUSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000583852517 357975309 /nfs/dbraw/zinc/97/53/09/357975309.db2.gz VJBRLYXIJMMKPX-QMIVOQANSA-N 1 0 239.403 3.501 20 0 BHADRO CCC(CC)[N@H+](CCc1cccc(C)n1)C1CC1 ZINC000583868484 358067078 /nfs/dbraw/zinc/06/70/78/358067078.db2.gz AJDMXAUFISINTK-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccncc1Cl ZINC000583876801 358089157 /nfs/dbraw/zinc/08/91/57/358089157.db2.gz HDYOIQBBJSPSTF-NXEZZACHSA-N 1 0 240.778 3.820 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)C(C)(C)C ZINC000583876802 358089289 /nfs/dbraw/zinc/08/92/89/358089289.db2.gz HDYOIQBBJSPSTF-VHSXEESVSA-N 1 0 240.778 3.820 20 0 BHADRO CCC(CC)[N@H+](Cc1cccs1)C1CC1 ZINC000583887765 358226767 /nfs/dbraw/zinc/22/67/67/358226767.db2.gz UBDOLHNONMWSSI-UHFFFAOYSA-N 1 0 223.385 3.901 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000583899200 358227327 /nfs/dbraw/zinc/22/73/27/358227327.db2.gz FQHCWADNVIHZMA-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO CCC(CC)C[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000583899201 358227148 /nfs/dbraw/zinc/22/71/48/358227148.db2.gz FQHCWADNVIHZMA-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000583899202 358227133 /nfs/dbraw/zinc/22/71/33/358227133.db2.gz FQHCWADNVIHZMA-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO CCC(CC)C[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000583899203 358227276 /nfs/dbraw/zinc/22/72/76/358227276.db2.gz FQHCWADNVIHZMA-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC(C)(C)C2)s1 ZINC000583903982 358227421 /nfs/dbraw/zinc/22/74/21/358227421.db2.gz VXYYWSXJXZQIGS-UHFFFAOYSA-N 1 0 241.425 3.702 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCOC(C)(C)C ZINC000583908447 342679263 /nfs/dbraw/zinc/67/92/63/342679263.db2.gz CSHXQGLCTLHIJV-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOC(C)(C)C ZINC000583908448 342679137 /nfs/dbraw/zinc/67/91/37/342679137.db2.gz CSHXQGLCTLHIJV-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOC(C)(C)C ZINC000583908449 342679163 /nfs/dbraw/zinc/67/91/63/342679163.db2.gz CSHXQGLCTLHIJV-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCOC(C)(C)C ZINC000583908450 342679215 /nfs/dbraw/zinc/67/92/15/342679215.db2.gz CSHXQGLCTLHIJV-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)CCSCC1CC[NH2+]CC1 ZINC000583932948 342728034 /nfs/dbraw/zinc/72/80/34/342728034.db2.gz RIVKCZOGMSQUMB-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000583935152 342728276 /nfs/dbraw/zinc/72/82/76/342728276.db2.gz RWLDBRCYSQTFNJ-LVQVYYBASA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000583935153 342728327 /nfs/dbraw/zinc/72/83/27/342728327.db2.gz RWLDBRCYSQTFNJ-WCVJEAGWSA-N 1 0 247.357 3.660 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000583935154 342728317 /nfs/dbraw/zinc/72/83/17/342728317.db2.gz RWLDBRCYSQTFNJ-XUWVNRHRSA-N 1 0 247.357 3.660 20 0 BHADRO CCSCCC[NH2+][C@H](C)C(C)(C)CC ZINC000583976648 384224769 /nfs/dbraw/zinc/22/47/69/384224769.db2.gz LMDKWFUFSIKYAD-LLVKDONJSA-N 1 0 217.422 3.544 20 0 BHADRO CCSCCC[NH2+][C@@H](C)C(C)(C)CC ZINC000583976649 384223580 /nfs/dbraw/zinc/22/35/80/384223580.db2.gz LMDKWFUFSIKYAD-NSHDSACASA-N 1 0 217.422 3.544 20 0 BHADRO C[N@H+](CCCCCF)[C@@H]1CCC(C)(C)C1 ZINC000583985346 342822070 /nfs/dbraw/zinc/82/20/70/342822070.db2.gz MFAIFCIFPFDGNL-GFCCVEGCSA-N 1 0 215.356 3.637 20 0 BHADRO C[N@H+](CCCCCF)[C@H]1CCC(C)(C)C1 ZINC000583985347 342822095 /nfs/dbraw/zinc/82/20/95/342822095.db2.gz MFAIFCIFPFDGNL-LBPRGKRZSA-N 1 0 215.356 3.637 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000583993915 342855297 /nfs/dbraw/zinc/85/52/97/342855297.db2.gz DZRWIPFFQRDJQA-FYRZTWFESA-N 1 0 247.357 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000583993916 342855483 /nfs/dbraw/zinc/85/54/83/342855483.db2.gz DZRWIPFFQRDJQA-LVDPKSTMSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000583993917 342855437 /nfs/dbraw/zinc/85/54/37/342855437.db2.gz DZRWIPFFQRDJQA-PWUWZPNHSA-N 1 0 247.357 3.803 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000583993918 342855272 /nfs/dbraw/zinc/85/52/72/342855272.db2.gz DZRWIPFFQRDJQA-PYBGIAKNSA-N 1 0 247.357 3.803 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000583994117 342856361 /nfs/dbraw/zinc/85/63/61/342856361.db2.gz MJKQIQCGGXQKSV-CRWXNKLISA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000583994118 342856183 /nfs/dbraw/zinc/85/61/83/342856183.db2.gz MJKQIQCGGXQKSV-MQYQWHSLSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000583994119 342856170 /nfs/dbraw/zinc/85/61/70/342856170.db2.gz MJKQIQCGGXQKSV-RFGFWPKPSA-N 1 0 227.367 3.681 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000583994120 342856320 /nfs/dbraw/zinc/85/63/20/342856320.db2.gz MJKQIQCGGXQKSV-XUXIUFHCSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000584008902 342899702 /nfs/dbraw/zinc/89/97/02/342899702.db2.gz NTCRWPNKOXTIFW-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000584008903 342899744 /nfs/dbraw/zinc/89/97/44/342899744.db2.gz NTCRWPNKOXTIFW-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1occc1C ZINC000584035620 343296318 /nfs/dbraw/zinc/29/63/18/343296318.db2.gz QTRDXZYMHZIMAA-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1occc1C ZINC000584035621 343295943 /nfs/dbraw/zinc/29/59/43/343295943.db2.gz QTRDXZYMHZIMAA-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO Cc1ccc(CC[NH2+]CCC2CCCCC2)o1 ZINC000584088673 343401250 /nfs/dbraw/zinc/40/12/50/343401250.db2.gz QAPMMPQEWZKELT-UHFFFAOYSA-N 1 0 235.371 3.691 20 0 BHADRO CC[C@H](C)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000584105196 343591793 /nfs/dbraw/zinc/59/17/93/343591793.db2.gz KGMWAUCQRWXMCT-OBJOEFQTSA-N 1 0 235.346 3.802 20 0 BHADRO CC[C@H](C)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000584105197 343592000 /nfs/dbraw/zinc/59/20/00/343592000.db2.gz KGMWAUCQRWXMCT-OUCADQQQSA-N 1 0 235.346 3.802 20 0 BHADRO CC[C@H](C)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000584105198 343592068 /nfs/dbraw/zinc/59/20/68/343592068.db2.gz KGMWAUCQRWXMCT-SCRDCRAPSA-N 1 0 235.346 3.802 20 0 BHADRO CC[C@H](C)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000584105199 343591862 /nfs/dbraw/zinc/59/18/62/343591862.db2.gz KGMWAUCQRWXMCT-SGMGOOAPSA-N 1 0 235.346 3.802 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC2(CCC2)C1 ZINC000584134968 343763793 /nfs/dbraw/zinc/76/37/93/343763793.db2.gz LTDFHUBLZMKKSO-GFCCVEGCSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC2(CCC2)C1 ZINC000584134969 343763428 /nfs/dbraw/zinc/76/34/28/343763428.db2.gz LTDFHUBLZMKKSO-LBPRGKRZSA-N 1 0 235.396 3.555 20 0 BHADRO CC1(C)CCC(C[NH+]2CC(C(F)(F)F)C2)CC1 ZINC000584140206 343764729 /nfs/dbraw/zinc/76/47/29/343764729.db2.gz XPOARSXLOSEKJR-UHFFFAOYSA-N 1 0 249.320 3.697 20 0 BHADRO CCC(CC)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000584140597 343764741 /nfs/dbraw/zinc/76/47/41/343764741.db2.gz ORXUYIPFINPRSR-UHFFFAOYSA-N 1 0 233.346 3.932 20 0 BHADRO CCC[N@H+](CC(C)C)CC1(SC)CCC1 ZINC000584144537 343764787 /nfs/dbraw/zinc/76/47/87/343764787.db2.gz CAMSPHGOECGXHH-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSc1ccc2c(c1)[C@@H]([NH2+]C1CCC1)CCC2 ZINC000584172230 343768777 /nfs/dbraw/zinc/76/87/77/343768777.db2.gz DZOXRHKQKQNOAL-HNNXBMFYSA-N 1 0 247.407 3.928 20 0 BHADRO CSc1ccc2c(c1)[C@H]([NH2+]C1CCC1)CCC2 ZINC000584172231 343768841 /nfs/dbraw/zinc/76/88/41/343768841.db2.gz DZOXRHKQKQNOAL-OAHLLOKOSA-N 1 0 247.407 3.928 20 0 BHADRO CCC1CC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000584172444 343768724 /nfs/dbraw/zinc/76/87/24/343768724.db2.gz QCHAGUSNDLRQHQ-MMVSWEMESA-N 1 0 249.320 3.886 20 0 BHADRO c1ccc(C2CC([NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000584183731 343770663 /nfs/dbraw/zinc/77/06/63/343770663.db2.gz SUGAMUPQGBTRNM-GPANFISMSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000584183732 343771034 /nfs/dbraw/zinc/77/10/34/343771034.db2.gz SUGAMUPQGBTRNM-UYSNPLJNSA-N 1 0 241.378 3.855 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000584200224 343772095 /nfs/dbraw/zinc/77/20/95/343772095.db2.gz RLCVZTGQMLWOHM-CXAGYDPISA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000584200225 343772402 /nfs/dbraw/zinc/77/24/02/343772402.db2.gz RLCVZTGQMLWOHM-DYVFJYSZSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000584200226 343772040 /nfs/dbraw/zinc/77/20/40/343772040.db2.gz RLCVZTGQMLWOHM-GUYCJALGSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000584200227 343771996 /nfs/dbraw/zinc/77/19/96/343771996.db2.gz RLCVZTGQMLWOHM-SUMWQHHRSA-N 1 0 243.394 3.570 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC12CCC2 ZINC000584219491 343773489 /nfs/dbraw/zinc/77/34/89/343773489.db2.gz VBQOFZSTBGNVQF-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC12CCC2 ZINC000584219492 343773202 /nfs/dbraw/zinc/77/32/02/343773202.db2.gz VBQOFZSTBGNVQF-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000584219493 343773142 /nfs/dbraw/zinc/77/31/42/343773142.db2.gz VBQOFZSTBGNVQF-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC12CCC2 ZINC000584219494 343773418 /nfs/dbraw/zinc/77/34/18/343773418.db2.gz VBQOFZSTBGNVQF-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO FC(F)(F)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000584254954 344207742 /nfs/dbraw/zinc/20/77/42/344207742.db2.gz MOKMSRHGFKXHMT-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCc1cnccc1C ZINC000584259250 344355144 /nfs/dbraw/zinc/35/51/44/344355144.db2.gz FGXVVCZDMURCHP-GDBMZVCRSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCc1cnccc1C ZINC000584259251 344355317 /nfs/dbraw/zinc/35/53/17/344355317.db2.gz FGXVVCZDMURCHP-GOEBONIOSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCc1cnccc1C ZINC000584259252 344355033 /nfs/dbraw/zinc/35/50/33/344355033.db2.gz FGXVVCZDMURCHP-HOCLYGCPSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCc1cnccc1C ZINC000584259253 344355129 /nfs/dbraw/zinc/35/51/29/344355129.db2.gz FGXVVCZDMURCHP-ZBFHGGJFSA-N 1 0 246.398 3.586 20 0 BHADRO CC(C)CC1(C)CC[NH+](Cc2cc[nH]c2)CC1 ZINC000584259670 344358245 /nfs/dbraw/zinc/35/82/45/344358245.db2.gz XKRHBQTUBLWHTP-UHFFFAOYSA-N 1 0 234.387 3.663 20 0 BHADRO Cc1cnccc1C[N@H+]1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000584272499 344373889 /nfs/dbraw/zinc/37/38/89/344373889.db2.gz KAXDOPFAGLWPSB-CVEARBPZSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cnccc1C[N@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000584272500 344374083 /nfs/dbraw/zinc/37/40/83/344374083.db2.gz KAXDOPFAGLWPSB-HOTGVXAUSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cnccc1C[N@H+]1C[C@H](C(C)C)[C@H]1C(C)C ZINC000584272501 344373931 /nfs/dbraw/zinc/37/39/31/344373931.db2.gz KAXDOPFAGLWPSB-HZPDHXFCSA-N 1 0 246.398 3.502 20 0 BHADRO Cc1cnccc1C[N@H+]1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000584272502 344374067 /nfs/dbraw/zinc/37/40/67/344374067.db2.gz KAXDOPFAGLWPSB-JKSUJKDBSA-N 1 0 246.398 3.502 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCCC23CC3)s1 ZINC000584303054 344440725 /nfs/dbraw/zinc/44/07/25/344440725.db2.gz WNLKIUGTYWUVMF-JTQLQIEISA-N 1 0 241.787 3.824 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCCC23CC3)s1 ZINC000584303055 344440578 /nfs/dbraw/zinc/44/05/78/344440578.db2.gz WNLKIUGTYWUVMF-SNVBAGLBSA-N 1 0 241.787 3.824 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000584307213 344443701 /nfs/dbraw/zinc/44/37/01/344443701.db2.gz JKNTZHNHEUPWMR-INIZCTEOSA-N 1 0 229.367 3.626 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000584307214 344443714 /nfs/dbraw/zinc/44/37/14/344443714.db2.gz JKNTZHNHEUPWMR-MRXNPFEDSA-N 1 0 229.367 3.626 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000584316898 346177195 /nfs/dbraw/zinc/17/71/95/346177195.db2.gz MNWMQYGKKNGBGQ-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CC[C@H]([NH2+]CCCOC2CCCC2)C1 ZINC000584316899 346177333 /nfs/dbraw/zinc/17/73/33/346177333.db2.gz MNWMQYGKKNGBGQ-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000584317720 346172937 /nfs/dbraw/zinc/17/29/37/346172937.db2.gz BTCDOBKLAQEJRY-GZTOBOFZSA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000584317721 346172901 /nfs/dbraw/zinc/17/29/01/346172901.db2.gz BTCDOBKLAQEJRY-ISALQUGTSA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@@H](C)[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000584317722 346172760 /nfs/dbraw/zinc/17/27/60/346172760.db2.gz BTCDOBKLAQEJRY-MVIFTORASA-N 1 0 239.309 3.708 20 0 BHADRO CC[C@H](C)[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000584317723 346173093 /nfs/dbraw/zinc/17/30/93/346173093.db2.gz BTCDOBKLAQEJRY-QRGHLMKCSA-N 1 0 239.309 3.708 20 0 BHADRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc4occc4c3)C[C@@H]21 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ZINC000584389060 357498741 /nfs/dbraw/zinc/49/87/41/357498741.db2.gz INYBKNATJYXEKQ-ZBFHGGJFSA-N 1 0 246.398 3.553 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000584390294 357498638 /nfs/dbraw/zinc/49/86/38/357498638.db2.gz YUIFXKOKEDMPJG-NEPJUHHUSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000584390295 357498727 /nfs/dbraw/zinc/49/87/27/357498727.db2.gz YUIFXKOKEDMPJG-NWDGAFQWSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000584390296 357498414 /nfs/dbraw/zinc/49/84/14/357498414.db2.gz YUIFXKOKEDMPJG-RYUDHWBXSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000584390297 357498583 /nfs/dbraw/zinc/49/85/83/357498583.db2.gz YUIFXKOKEDMPJG-VXGBXAGGSA-N 1 0 247.304 3.617 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]CCCC(C)(F)F ZINC000584391278 357883070 /nfs/dbraw/zinc/88/30/70/357883070.db2.gz NBPVFGLXVPDKFH-JTQLQIEISA-N 1 0 247.354 3.704 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]CCCC(C)(F)F ZINC000584391279 357882932 /nfs/dbraw/zinc/88/29/32/357882932.db2.gz NBPVFGLXVPDKFH-SNVBAGLBSA-N 1 0 247.354 3.704 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000584397802 357909929 /nfs/dbraw/zinc/90/99/29/357909929.db2.gz FOAVAJISLQTPQR-BZPMIXESSA-N 1 0 233.355 3.694 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000584397803 357909937 /nfs/dbraw/zinc/90/99/37/357909937.db2.gz FOAVAJISLQTPQR-YRGRVCCFSA-N 1 0 233.355 3.694 20 0 BHADRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C(C)(C)C)CS1 ZINC000584415808 357915413 /nfs/dbraw/zinc/91/54/13/357915413.db2.gz YKMXDSGDJFWYTC-GRYCIOLGSA-N 1 0 229.433 3.541 20 0 BHADRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C(C)(C)C)CS1 ZINC000584415809 357915489 /nfs/dbraw/zinc/91/54/89/357915489.db2.gz YKMXDSGDJFWYTC-IJLUTSLNSA-N 1 0 229.433 3.541 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CCCC12CC2 ZINC000584422376 357918850 /nfs/dbraw/zinc/91/88/50/357918850.db2.gz UXZVMZZQDKVMBD-GTBONMDNSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+][C@H]1CCCC12CC2 ZINC000584422377 357918984 /nfs/dbraw/zinc/91/89/84/357918984.db2.gz UXZVMZZQDKVMBD-KKTNHOPESA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@H]1CCCC12CC2 ZINC000584422378 357919273 /nfs/dbraw/zinc/91/92/73/357919273.db2.gz UXZVMZZQDKVMBD-PXTSUWAFSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+][C@@H]1CCCC12CC2 ZINC000584422379 357918849 /nfs/dbraw/zinc/91/88/49/357918849.db2.gz UXZVMZZQDKVMBD-SBJJXXPASA-N 1 0 227.351 3.622 20 0 BHADRO CC1(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CCC1 ZINC000584425303 357916419 /nfs/dbraw/zinc/91/64/19/357916419.db2.gz QQTLKIFFMANGPY-JTQLQIEISA-N 1 0 249.320 3.839 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CCC1 ZINC000584425304 357916543 /nfs/dbraw/zinc/91/65/43/357916543.db2.gz QQTLKIFFMANGPY-SNVBAGLBSA-N 1 0 249.320 3.839 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000584437758 357921335 /nfs/dbraw/zinc/92/13/35/357921335.db2.gz VWDYNJOBSLHRNE-DOMZBBRYSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000584437759 357921199 /nfs/dbraw/zinc/92/11/99/357921199.db2.gz VWDYNJOBSLHRNE-IUODEOHRSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000584437760 357920768 /nfs/dbraw/zinc/92/07/68/357920768.db2.gz VWDYNJOBSLHRNE-SWLSCSKDSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000584437761 357920937 /nfs/dbraw/zinc/92/09/37/357920937.db2.gz VWDYNJOBSLHRNE-WFASDCNBSA-N 1 0 242.366 3.931 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000584475730 357992154 /nfs/dbraw/zinc/99/21/54/357992154.db2.gz XAOUTYJUEHKNPI-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000584475731 357992334 /nfs/dbraw/zinc/99/23/34/357992334.db2.gz XAOUTYJUEHKNPI-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C ZINC000584485690 358001739 /nfs/dbraw/zinc/00/17/39/358001739.db2.gz UPAZVJQHFVJICG-BMFZPTHFSA-N 1 0 231.383 3.786 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C ZINC000584485691 358001831 /nfs/dbraw/zinc/00/18/31/358001831.db2.gz UPAZVJQHFVJICG-FVQBIDKESA-N 1 0 231.383 3.786 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C ZINC000584485692 358001919 /nfs/dbraw/zinc/00/19/19/358001919.db2.gz UPAZVJQHFVJICG-IMJJTQAJSA-N 1 0 231.383 3.786 20 0 BHADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000584485693 358001900 /nfs/dbraw/zinc/00/19/00/358001900.db2.gz UPAZVJQHFVJICG-NUEKZKHPSA-N 1 0 231.383 3.786 20 0 BHADRO CCCC[NH+](CCCC)Cc1cccc(C)n1 ZINC000584495855 358003061 /nfs/dbraw/zinc/00/30/61/358003061.db2.gz AEJHWUQHEBKLOB-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO CC(C)[C@H](C[NH2+]CC1(C)CC1)Nc1ccccc1 ZINC000584505240 358008146 /nfs/dbraw/zinc/00/81/46/358008146.db2.gz HRBRYCYSFASJEG-HNNXBMFYSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC1(C)CC1)Nc1ccccc1 ZINC000584505241 358008092 /nfs/dbraw/zinc/00/80/92/358008092.db2.gz HRBRYCYSFASJEG-OAHLLOKOSA-N 1 0 246.398 3.513 20 0 BHADRO CC1(C)CC(C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000584508552 358010503 /nfs/dbraw/zinc/01/05/03/358010503.db2.gz RCVPEJHXVJPGPQ-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO c1ccc(CSCC[NH+]2C3CCC2CC3)cc1 ZINC000584566462 358060159 /nfs/dbraw/zinc/06/01/59/358060159.db2.gz QXGYXKZVJNMKBV-UHFFFAOYSA-N 1 0 247.407 3.547 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CCC1)c1cc(F)cc(F)c1 ZINC000584570418 358070533 /nfs/dbraw/zinc/07/05/33/358070533.db2.gz NUONRYOXTVILSW-JTQLQIEISA-N 1 0 239.309 3.601 20 0 BHADRO C[C@H](C[NH2+]C1(C)CCC1)c1cc(F)cc(F)c1 ZINC000584570419 358070448 /nfs/dbraw/zinc/07/04/48/358070448.db2.gz NUONRYOXTVILSW-SNVBAGLBSA-N 1 0 239.309 3.601 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000584581221 358094943 /nfs/dbraw/zinc/09/49/43/358094943.db2.gz GEDQYIMFSRHRLF-ILXRZTDVSA-N 1 0 247.357 3.889 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000584581222 358095331 /nfs/dbraw/zinc/09/53/31/358095331.db2.gz GEDQYIMFSRHRLF-QLFBSQMISA-N 1 0 247.357 3.889 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC000584590073 358103758 /nfs/dbraw/zinc/10/37/58/358103758.db2.gz JTUJJWBREWTUAT-CHWSQXEVSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC000584590074 358103960 /nfs/dbraw/zinc/10/39/60/358103960.db2.gz JTUJJWBREWTUAT-OLZOCXBDSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC000584590075 358094613 /nfs/dbraw/zinc/09/46/13/358094613.db2.gz JTUJJWBREWTUAT-QWHCGFSZSA-N 1 0 239.309 3.504 20 0 BHADRO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC000584590076 358094503 /nfs/dbraw/zinc/09/45/03/358094503.db2.gz JTUJJWBREWTUAT-STQMWFEESA-N 1 0 239.309 3.504 20 0 BHADRO [NH3+]C1(c2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000584603130 358261302 /nfs/dbraw/zinc/26/13/02/358261302.db2.gz KHCXHXOPJVBXEZ-UHFFFAOYSA-N 1 0 243.737 3.955 20 0 BHADRO CC(C)([NH3+])c1ccc(-c2ccc(F)cc2)cc1 ZINC000584612609 358276236 /nfs/dbraw/zinc/27/62/36/358276236.db2.gz LAMSLYRNJPIQEX-UHFFFAOYSA-N 1 0 229.298 3.687 20 0 BHADRO Cc1ccc2c(c1)c(CC[NH3+])cn2C1CCCC1 ZINC000584618972 358285715 /nfs/dbraw/zinc/28/57/15/358285715.db2.gz MEIKMSSHCHKMCF-UHFFFAOYSA-N 1 0 242.366 3.566 20 0 BHADRO Clc1ccccc1C[NH+]1CC2CCC(CC2)C1 ZINC000584630921 358249161 /nfs/dbraw/zinc/24/91/61/358249161.db2.gz AJIZMQGQOXHSAJ-UHFFFAOYSA-N 1 0 249.785 3.962 20 0 BHADRO C1CCC([NH+]2CCC3(CCCCC3)CC2)C1 ZINC000584630941 358250342 /nfs/dbraw/zinc/25/03/42/358250342.db2.gz CHDPQCIQQOWDPW-UHFFFAOYSA-N 1 0 221.388 3.975 20 0 BHADRO CC1CCC([NH+]2CC3CCC(CC3)C2)CC1 ZINC000584631092 358267899 /nfs/dbraw/zinc/26/78/99/358267899.db2.gz SPLFSYOZENDHMK-UHFFFAOYSA-N 1 0 221.388 3.687 20 0 BHADRO c1sc2ccccc2c1CC[NH+]1CCCCC1 ZINC000584647392 358332251 /nfs/dbraw/zinc/33/22/51/358332251.db2.gz QWRUJQJMSDQHGP-UHFFFAOYSA-N 1 0 245.391 3.930 20 0 BHADRO Fc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000584650310 358305012 /nfs/dbraw/zinc/30/50/12/358305012.db2.gz AYHROYJNKKBBMK-INIZCTEOSA-N 1 0 245.341 3.857 20 0 BHADRO Fc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000584650315 358305004 /nfs/dbraw/zinc/30/50/04/358305004.db2.gz AYHROYJNKKBBMK-MRXNPFEDSA-N 1 0 245.341 3.857 20 0 BHADRO CSc1ccc(C[NH+]2CCCCCC2)s1 ZINC000584693889 358153317 /nfs/dbraw/zinc/15/33/17/358153317.db2.gz ZNDGGQNKBVFYIP-UHFFFAOYSA-N 1 0 241.425 3.846 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+]CC1(C)CC1 ZINC000584704046 358155467 /nfs/dbraw/zinc/15/54/67/358155467.db2.gz HZNOADHTXOAALU-UHFFFAOYSA-N 1 0 247.382 3.579 20 0 BHADRO CC1(C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000584713645 358159064 /nfs/dbraw/zinc/15/90/64/358159064.db2.gz GKXHBRCKKYSYBT-UHFFFAOYSA-N 1 0 229.367 3.666 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000584719498 358161366 /nfs/dbraw/zinc/16/13/66/358161366.db2.gz IAPLJDPCGWARTR-FIQHERPVSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000584719504 358161163 /nfs/dbraw/zinc/16/11/63/358161163.db2.gz IAPLJDPCGWARTR-NNYUYHANSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000584719506 358161096 /nfs/dbraw/zinc/16/10/96/358161096.db2.gz IAPLJDPCGWARTR-NOOOWODRSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000584719508 358161263 /nfs/dbraw/zinc/16/12/63/358161263.db2.gz IAPLJDPCGWARTR-WRWGMCAJSA-N 1 0 249.320 3.886 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)CC(C)(C)C ZINC000584726497 358167264 /nfs/dbraw/zinc/16/72/64/358167264.db2.gz RWYIBZIMYPVFFC-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CC(C)(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000584733669 358164604 /nfs/dbraw/zinc/16/46/04/358164604.db2.gz ORYKSLBNZOWRCE-UHFFFAOYSA-N 1 0 235.346 3.740 20 0 BHADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC1 ZINC000584743767 358165604 /nfs/dbraw/zinc/16/56/04/358165604.db2.gz PIBCCWCPXSKXOC-HNNXBMFYSA-N 1 0 240.350 3.606 20 0 BHADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC1 ZINC000584743768 358165600 /nfs/dbraw/zinc/16/56/00/358165600.db2.gz PIBCCWCPXSKXOC-OAHLLOKOSA-N 1 0 240.350 3.606 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)s1 ZINC000584752086 358168936 /nfs/dbraw/zinc/16/89/36/358168936.db2.gz LJNPJICRZDMSOL-LLVKDONJSA-N 1 0 241.425 3.700 20 0 BHADRO CSc1ccc(C[N@@H+]2CC[C@H]2C(C)C)s1 ZINC000584752094 358168806 /nfs/dbraw/zinc/16/88/06/358168806.db2.gz LJNPJICRZDMSOL-NSHDSACASA-N 1 0 241.425 3.700 20 0 BHADRO C=Cn1cc(C[NH2+]C(CC(C)C)CC(C)C)cn1 ZINC000584760167 358170262 /nfs/dbraw/zinc/17/02/62/358170262.db2.gz JWWNNTUUNPAORD-UHFFFAOYSA-N 1 0 249.402 3.534 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCC(C)(C)COC ZINC000584762298 358170635 /nfs/dbraw/zinc/17/06/35/358170635.db2.gz GNEUWWQGCIJDOL-CYBMUJFWSA-N 1 0 243.435 3.854 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCC(C)(C)COC ZINC000584762299 358170720 /nfs/dbraw/zinc/17/07/20/358170720.db2.gz GNEUWWQGCIJDOL-ZDUSSCGKSA-N 1 0 243.435 3.854 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCSc1ccc(C)cc1 ZINC000584771943 358171941 /nfs/dbraw/zinc/17/19/41/358171941.db2.gz MDPOTKVBQLXTNH-DZGCQCFKSA-N 1 0 249.423 3.865 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCSc1ccc(C)cc1 ZINC000584771944 358172173 /nfs/dbraw/zinc/17/21/73/358172173.db2.gz MDPOTKVBQLXTNH-HIFRSBDPSA-N 1 0 249.423 3.865 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCSc1ccc(C)cc1 ZINC000584771945 358172129 /nfs/dbraw/zinc/17/21/29/358172129.db2.gz MDPOTKVBQLXTNH-UKRRQHHQSA-N 1 0 249.423 3.865 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCSc1ccc(C)cc1 ZINC000584771946 358172243 /nfs/dbraw/zinc/17/22/43/358172243.db2.gz MDPOTKVBQLXTNH-ZFWWWQNUSA-N 1 0 249.423 3.865 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000584782576 358177073 /nfs/dbraw/zinc/17/70/73/358177073.db2.gz QMGPLEWFJRJHDR-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000584782579 358176826 /nfs/dbraw/zinc/17/68/26/358176826.db2.gz QMGPLEWFJRJHDR-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000584782580 358176791 /nfs/dbraw/zinc/17/67/91/358176791.db2.gz QMGPLEWFJRJHDR-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000584782581 358176718 /nfs/dbraw/zinc/17/67/18/358176718.db2.gz QMGPLEWFJRJHDR-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)CCC(C)(C)C ZINC000584795489 358181603 /nfs/dbraw/zinc/18/16/03/358181603.db2.gz TXSUTZRJEAOISU-GUTXKFCHSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)CCC(C)(C)C ZINC000584795490 358181630 /nfs/dbraw/zinc/18/16/30/358181630.db2.gz TXSUTZRJEAOISU-GZBFAFLISA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000584795491 358181418 /nfs/dbraw/zinc/18/14/18/358181418.db2.gz TXSUTZRJEAOISU-KCQAQPDRSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000584795492 358181786 /nfs/dbraw/zinc/18/17/86/358181786.db2.gz TXSUTZRJEAOISU-YDHLFZDLSA-N 1 0 243.435 3.588 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000584795806 358181563 /nfs/dbraw/zinc/18/15/63/358181563.db2.gz ALLNPOMLBBJQGS-INWMFGNUSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000584795807 358181437 /nfs/dbraw/zinc/18/14/37/358181437.db2.gz ALLNPOMLBBJQGS-IVMMDQJWSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000584795808 358181695 /nfs/dbraw/zinc/18/16/95/358181695.db2.gz ALLNPOMLBBJQGS-XNRPHZJLSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000584795809 358181635 /nfs/dbraw/zinc/18/16/35/358181635.db2.gz ALLNPOMLBBJQGS-XPKDYRNWSA-N 1 0 249.373 3.781 20 0 BHADRO CC(C)C1CCC(C[NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000584802779 358182373 /nfs/dbraw/zinc/18/23/73/358182373.db2.gz LHLICSBOTGLKOB-TYUFSLCMSA-N 1 0 245.357 3.692 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)CC1(SC)CC1 ZINC000584806639 358182688 /nfs/dbraw/zinc/18/26/88/358182688.db2.gz OZIHZSXKJZOEOS-UHFFFAOYSA-N 1 0 249.423 3.713 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584847604 358201284 /nfs/dbraw/zinc/20/12/84/358201284.db2.gz SKIUHFPSQUKLKP-UHFFFAOYSA-N 1 0 244.382 3.607 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000584856007 358210474 /nfs/dbraw/zinc/21/04/74/358210474.db2.gz FBZJZMJMKUDKSE-CYZMBNFOSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000584856012 358210330 /nfs/dbraw/zinc/21/03/30/358210330.db2.gz FBZJZMJMKUDKSE-DRZSPHRISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000584856014 358210265 /nfs/dbraw/zinc/21/02/65/358210265.db2.gz FBZJZMJMKUDKSE-UHTWSYAYSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000584856017 358210570 /nfs/dbraw/zinc/21/05/70/358210570.db2.gz FBZJZMJMKUDKSE-WCFLWFBJSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584856651 358210150 /nfs/dbraw/zinc/21/01/50/358210150.db2.gz WHJHYSWCKHFVGA-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584856652 358210370 /nfs/dbraw/zinc/21/03/70/358210370.db2.gz WHJHYSWCKHFVGA-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584856653 358210573 /nfs/dbraw/zinc/21/05/73/358210573.db2.gz WHJHYSWCKHFVGA-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584856654 358210456 /nfs/dbraw/zinc/21/04/56/358210456.db2.gz WHJHYSWCKHFVGA-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO CCSCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754229 345985229 /nfs/dbraw/zinc/98/52/29/345985229.db2.gz ALBSJMHPVIJELV-UHFFFAOYSA-N 1 0 237.412 3.607 20 0 BHADRO CSCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754444 345985358 /nfs/dbraw/zinc/98/53/58/345985358.db2.gz OMTCZNXJWXOJBL-UHFFFAOYSA-N 1 0 237.412 3.607 20 0 BHADRO Oc1ccc([C@@H]2CCC[N@@H+]2CC2CCCC2)cc1 ZINC000588004396 346621343 /nfs/dbraw/zinc/62/13/43/346621343.db2.gz GADFOCDCEKRIHN-INIZCTEOSA-N 1 0 245.366 3.719 20 0 BHADRO Oc1ccc([C@H]2CCC[N@@H+]2CC2CCCC2)cc1 ZINC000588004397 346621570 /nfs/dbraw/zinc/62/15/70/346621570.db2.gz GADFOCDCEKRIHN-MRXNPFEDSA-N 1 0 245.366 3.719 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000588166154 346644256 /nfs/dbraw/zinc/64/42/56/346644256.db2.gz HJILFHOYQOCLIE-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000588166155 346644185 /nfs/dbraw/zinc/64/41/85/346644185.db2.gz HJILFHOYQOCLIE-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1cc(C)sc1C ZINC000588168986 346644949 /nfs/dbraw/zinc/64/49/49/346644949.db2.gz JKWVGAODKHNRAB-UHFFFAOYSA-N 1 0 249.379 3.980 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1cccc(Cl)c1 ZINC000588169181 346644923 /nfs/dbraw/zinc/64/49/23/346644923.db2.gz CTLCIYHHRAZODK-UHFFFAOYSA-N 1 0 249.741 3.955 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1cc(C)ccc1C ZINC000588169219 346644997 /nfs/dbraw/zinc/64/49/97/346644997.db2.gz HZIMXFXPACPVTC-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO CC[N@H+](CCCc1ccccc1)Cc1ccoc1 ZINC000588169223 346644754 /nfs/dbraw/zinc/64/47/54/346644754.db2.gz IGRMDFOKUPDIKS-UHFFFAOYSA-N 1 0 243.350 3.734 20 0 BHADRO CC[N@@H+](Cc1ccoc1)CC1CCCCC1 ZINC000588169335 346644770 /nfs/dbraw/zinc/64/47/70/346644770.db2.gz RYNHTQSRFDOOQS-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1ccccc1C ZINC000588169374 346645030 /nfs/dbraw/zinc/64/50/30/346645030.db2.gz WNLBQRWAKVNYHX-UHFFFAOYSA-N 1 0 229.323 3.610 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1ccc(Cl)cc1 ZINC000588169613 346645022 /nfs/dbraw/zinc/64/50/22/346645022.db2.gz XQPOQJYSPIEOFN-UHFFFAOYSA-N 1 0 249.741 3.955 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]Cc1ccsc1 ZINC000588177614 346642778 /nfs/dbraw/zinc/64/27/78/346642778.db2.gz KUIYBBDWJQLPKI-LCYFTJDESA-N 1 0 243.375 3.941 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]Cc1ccsc1 ZINC000588177615 346642363 /nfs/dbraw/zinc/64/23/63/346642363.db2.gz KUIYBBDWJQLPKI-UKTHLTGXSA-N 1 0 243.375 3.941 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)C1CC1 ZINC000588178289 346643254 /nfs/dbraw/zinc/64/32/54/346643254.db2.gz CGQPVQFDZSXDNK-JWAFFJSPSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)C1CC1 ZINC000588178293 346643326 /nfs/dbraw/zinc/64/33/26/346643326.db2.gz CGQPVQFDZSXDNK-QLKUMGTLSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)C1CC1 ZINC000588178294 346642915 /nfs/dbraw/zinc/64/29/15/346642915.db2.gz CGQPVQFDZSXDNK-UELRPHRMSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)C1CC1 ZINC000588178295 346643289 /nfs/dbraw/zinc/64/32/89/346643289.db2.gz CGQPVQFDZSXDNK-ZVHGMHCTSA-N 1 0 229.367 3.726 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]Cc1ccoc1C ZINC000588178393 346642955 /nfs/dbraw/zinc/64/29/55/346642955.db2.gz KDYHVOPXTLVLKQ-JLHYYAGUSA-N 1 0 241.334 3.781 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]Cc1ccoc1C ZINC000588178394 346643205 /nfs/dbraw/zinc/64/32/05/346643205.db2.gz KDYHVOPXTLVLKQ-RAXLEYEMSA-N 1 0 241.334 3.781 20 0 BHADRO Fc1ccc(C2([NH2+]Cc3ccco3)CCC2)cc1 ZINC000588179156 346643225 /nfs/dbraw/zinc/64/32/25/346643225.db2.gz HKEHPCJTSXVZIV-UHFFFAOYSA-N 1 0 245.297 3.588 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCSC(C)C ZINC000588231172 346650248 /nfs/dbraw/zinc/65/02/48/346650248.db2.gz GXFOCWJLVAXJDG-HNNXBMFYSA-N 1 0 249.423 3.714 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCSC(C)C ZINC000588231173 346650183 /nfs/dbraw/zinc/65/01/83/346650183.db2.gz GXFOCWJLVAXJDG-OAHLLOKOSA-N 1 0 249.423 3.714 20 0 BHADRO CCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000588236149 346648946 /nfs/dbraw/zinc/64/89/46/346648946.db2.gz HISZXWMEDJMYRS-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1cc(C)cc(C)c1 ZINC000588236570 346648502 /nfs/dbraw/zinc/64/85/02/346648502.db2.gz IQGKXBMEKAJWIW-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO CC[N@H+](C/C=C/c1ccccc1)Cc1ccoc1 ZINC000588236685 346648981 /nfs/dbraw/zinc/64/89/81/346648981.db2.gz XWUKTSKNFPCUMS-RMKNXTFCSA-N 1 0 241.334 3.815 20 0 BHADRO CC[N@H+](C/C=C\c1ccccc1)Cc1ccoc1 ZINC000588236686 346648733 /nfs/dbraw/zinc/64/87/33/346648733.db2.gz XWUKTSKNFPCUMS-TWGQIWQCSA-N 1 0 241.334 3.815 20 0 BHADRO CC/C=C\CC[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000588475976 538852565 /nfs/dbraw/zinc/85/25/65/538852565.db2.gz RZPGGFMUODBVSZ-IYKSTZQJSA-N 1 0 239.403 3.624 20 0 BHADRO CC/C=C\CC[N@H+]1CCC[C@H](OCCC)CC1 ZINC000588475977 538853018 /nfs/dbraw/zinc/85/30/18/538853018.db2.gz RZPGGFMUODBVSZ-YVACAVLKSA-N 1 0 239.403 3.624 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1C2CCC1CC2 ZINC000588709278 344175549 /nfs/dbraw/zinc/17/55/49/344175549.db2.gz UYMMEYCLLXKNLO-NRXISQOPSA-N 1 0 215.340 3.765 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1C2CCC1CC2 ZINC000588709294 344175555 /nfs/dbraw/zinc/17/55/55/344175555.db2.gz UYMMEYCLLXKNLO-YMAMQOFZSA-N 1 0 215.340 3.765 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1OC ZINC000588770284 344187046 /nfs/dbraw/zinc/18/70/46/344187046.db2.gz SMKRBSKKCVWIJQ-HNNXBMFYSA-N 1 0 247.382 3.768 20 0 BHADRO Cc1cc(C)cc(OCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000588779018 344188026 /nfs/dbraw/zinc/18/80/26/344188026.db2.gz TUERUUUSWIHOSD-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1OCCC[N@@H+](C)CC(C)(C)C ZINC000588900969 344197838 /nfs/dbraw/zinc/19/78/38/344197838.db2.gz BJOPGPWVEBQPRV-UHFFFAOYSA-N 1 0 249.398 3.742 20 0 BHADRO CC(C)Oc1ccccc1C[N@H+](C)CC(C)(C)C ZINC000588901055 344197970 /nfs/dbraw/zinc/19/79/70/344197970.db2.gz NDEIJVVWUMAABB-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO C[N@H+](CCCc1ccccc1)CC(C)(C)C ZINC000588901787 344198404 /nfs/dbraw/zinc/19/84/04/344198404.db2.gz JKQMDJZJLVPJKY-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1Cl)CC(C)(C)C ZINC000588902031 344198622 /nfs/dbraw/zinc/19/86/22/344198622.db2.gz CCCRTHYEZYWDPN-UHFFFAOYSA-N 1 0 243.753 3.957 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000588902267 344198666 /nfs/dbraw/zinc/19/86/66/344198666.db2.gz HFMOZPOALJNANC-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)CC(C)(C)C)c1 ZINC000588902308 344198747 /nfs/dbraw/zinc/19/87/47/344198747.db2.gz CMDXYHSAPLSBNT-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO C[N@H+](Cc1ccccc1Cl)CC(C)(C)C ZINC000588902861 344198613 /nfs/dbraw/zinc/19/86/13/344198613.db2.gz FIPWTJZIUMMFHT-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)C ZINC000588902989 344198512 /nfs/dbraw/zinc/19/85/12/344198512.db2.gz OBDHTEKPVRNOOG-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)C ZINC000588902990 344198933 /nfs/dbraw/zinc/19/89/33/344198933.db2.gz OBDHTEKPVRNOOG-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)C ZINC000588902991 344198543 /nfs/dbraw/zinc/19/85/43/344198543.db2.gz OBDHTEKPVRNOOG-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)C ZINC000588902992 344198855 /nfs/dbraw/zinc/19/88/55/344198855.db2.gz OBDHTEKPVRNOOG-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO CC1(C)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000588903781 344198724 /nfs/dbraw/zinc/19/87/24/344198724.db2.gz LFVIXRYPMZRCSN-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC1(C)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000588904050 344198710 /nfs/dbraw/zinc/19/87/10/344198710.db2.gz NIWBZHIBACNJDA-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000588904146 344198818 /nfs/dbraw/zinc/19/88/18/344198818.db2.gz RVPKOPAGWLLNBF-CYBMUJFWSA-N 1 0 217.356 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000588904153 344198930 /nfs/dbraw/zinc/19/89/30/344198930.db2.gz RVPKOPAGWLLNBF-ZDUSSCGKSA-N 1 0 217.356 3.870 20 0 BHADRO CC1(C)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000588904543 344199243 /nfs/dbraw/zinc/19/92/43/344199243.db2.gz FDIJARSSTXEPKP-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CC1(C)CC[NH+](CCCOc2ccccc2)CC1 ZINC000588904626 344199387 /nfs/dbraw/zinc/19/93/87/344199387.db2.gz JVIKFIUGSHMMIM-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO Cc1ccccc1C[NH+]1CCC(C)(C)CC1 ZINC000588904684 344199353 /nfs/dbraw/zinc/19/93/53/344199353.db2.gz LLNQYAZTLNHNNE-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC1(C)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000588905026 344199293 /nfs/dbraw/zinc/19/92/93/344199293.db2.gz SOOFBTAOOULFFS-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1cccc(C[NH+]2CCC(C)(C)CC2)c1 ZINC000588905058 344199339 /nfs/dbraw/zinc/19/93/39/344199339.db2.gz VYGSIYOSVWADIK-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C)(C)CC2)cc1 ZINC000588905078 344199308 /nfs/dbraw/zinc/19/93/08/344199308.db2.gz XQBCBGACUMVGQX-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC(C)CC[N@H+](Cc1cccnc1)C1CCCC1 ZINC000588937832 344904949 /nfs/dbraw/zinc/90/49/49/344904949.db2.gz CHKRHRLFDLVWTQ-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)CC(C)(C)C)c1 ZINC000588938410 344926918 /nfs/dbraw/zinc/92/69/18/344926918.db2.gz DEQZPTCQPHYOKW-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC1(C)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000588938908 344949410 /nfs/dbraw/zinc/94/94/10/344949410.db2.gz LMERNLDBVXSBKL-RMKNXTFCSA-N 1 0 229.367 3.822 20 0 BHADRO CC1(C)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000588938915 344949716 /nfs/dbraw/zinc/94/97/16/344949716.db2.gz LMERNLDBVXSBKL-TWGQIWQCSA-N 1 0 229.367 3.822 20 0 BHADRO CCC(CC)[N@H+](CC)CCSC(C)C ZINC000588977374 345837216 /nfs/dbraw/zinc/83/72/16/345837216.db2.gz ZZILCWWIRXNZND-UHFFFAOYSA-N 1 0 217.422 3.639 20 0 BHADRO CC(C)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000589151197 346668916 /nfs/dbraw/zinc/66/89/16/346668916.db2.gz KLUYPOAOXCBLLW-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000589151198 346668721 /nfs/dbraw/zinc/66/87/21/346668721.db2.gz KLUYPOAOXCBLLW-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO CCc1ccc(C[N@H+](C)CC2(SC)CC2)cc1 ZINC000589157855 346669950 /nfs/dbraw/zinc/66/99/50/346669950.db2.gz YWSLUAWNWVCJDS-UHFFFAOYSA-N 1 0 249.423 3.576 20 0 BHADRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C)s1 ZINC000589206261 346675897 /nfs/dbraw/zinc/67/58/97/346675897.db2.gz CRZRNWNBAUBGLD-LLVKDONJSA-N 1 0 243.441 3.630 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C)s1 ZINC000589206266 346676070 /nfs/dbraw/zinc/67/60/70/346676070.db2.gz CRZRNWNBAUBGLD-NSHDSACASA-N 1 0 243.441 3.630 20 0 BHADRO CC[N@H+](CC=C(C)C)Cc1cccc(F)c1 ZINC000589260213 346681179 /nfs/dbraw/zinc/68/11/79/346681179.db2.gz CIQZZMHHFNGHGQ-UHFFFAOYSA-N 1 0 221.319 3.614 20 0 BHADRO CC1CCC([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000589271176 346684446 /nfs/dbraw/zinc/68/44/46/346684446.db2.gz DANWPXDNXHFFMY-UHFFFAOYSA-N 1 0 243.394 3.887 20 0 BHADRO CSC1(C[N@H+](C)C2CCCCC2)CCC1 ZINC000589494631 346709379 /nfs/dbraw/zinc/70/93/79/346709379.db2.gz UOEUMSGHMXLEIF-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CSC1(C[NH+]2CCC3(CCC3)CC2)CCC1 ZINC000589518498 385321769 /nfs/dbraw/zinc/32/17/69/385321769.db2.gz QCSOLQHUQBRKHD-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000589609211 346717394 /nfs/dbraw/zinc/71/73/94/346717394.db2.gz DBVLFPGKIMTFMM-INIZCTEOSA-N 1 0 231.383 3.912 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000589609214 346717716 /nfs/dbraw/zinc/71/77/16/346717716.db2.gz DBVLFPGKIMTFMM-MRXNPFEDSA-N 1 0 231.383 3.912 20 0 BHADRO CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000589609581 346717821 /nfs/dbraw/zinc/71/78/21/346717821.db2.gz LZWYLLFMRKCOKH-HNNXBMFYSA-N 1 0 217.356 3.666 20 0 BHADRO CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000589609584 346717725 /nfs/dbraw/zinc/71/77/25/346717725.db2.gz LZWYLLFMRKCOKH-OAHLLOKOSA-N 1 0 217.356 3.666 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589633282 346720388 /nfs/dbraw/zinc/72/03/88/346720388.db2.gz HBVUUESNSWSDBW-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589633294 346719852 /nfs/dbraw/zinc/71/98/52/346719852.db2.gz HBVUUESNSWSDBW-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc2cccnc2c1 ZINC000589633719 346720304 /nfs/dbraw/zinc/72/03/04/346720304.db2.gz FNQUVWHRYDYKAY-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO c1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC000589636084 346720856 /nfs/dbraw/zinc/72/08/56/346720856.db2.gz GRXIYCUOEOJEHB-UHFFFAOYSA-N 1 0 248.329 3.525 20 0 BHADRO c1cnc2cc(C[NH2+]C3CCCCC3)ccc2c1 ZINC000589636677 346721370 /nfs/dbraw/zinc/72/13/70/346721370.db2.gz XDOUPUSIEUUOAW-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO Cc1ccc(CCC[NH2+]CC(C)(C)C)c(C)c1 ZINC000589636750 346721074 /nfs/dbraw/zinc/72/10/74/346721074.db2.gz RCAVKVOJKIRDHJ-UHFFFAOYSA-N 1 0 233.399 3.872 20 0 BHADRO CCN(CCC[NH2+]CC(C)(C)C)c1ccccc1 ZINC000589638380 346721204 /nfs/dbraw/zinc/72/12/04/346721204.db2.gz XJLKIZZWSVIMCE-UHFFFAOYSA-N 1 0 248.414 3.539 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc2cccnc2c1 ZINC000589638794 346721090 /nfs/dbraw/zinc/72/10/90/346721090.db2.gz DESZOEQIPBWIRV-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589644269 346724650 /nfs/dbraw/zinc/72/46/50/346724650.db2.gz KFWOMLRBIYGTSM-CHWSQXEVSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589644270 346724672 /nfs/dbraw/zinc/72/46/72/346724672.db2.gz KFWOMLRBIYGTSM-OLZOCXBDSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589644271 346724403 /nfs/dbraw/zinc/72/44/03/346724403.db2.gz KFWOMLRBIYGTSM-QWHCGFSZSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000589644272 346724789 /nfs/dbraw/zinc/72/47/89/346724789.db2.gz KFWOMLRBIYGTSM-STQMWFEESA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)(C)C[NH2+]CCC(C)(C)c1ccccc1 ZINC000589644322 346724308 /nfs/dbraw/zinc/72/43/08/346724308.db2.gz NUTVCFYSAOPJII-UHFFFAOYSA-N 1 0 233.399 3.990 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2cccnc2c1)C(C)C ZINC000589645292 346724760 /nfs/dbraw/zinc/72/47/60/346724760.db2.gz YXXWGNDKRYWVMC-HNNXBMFYSA-N 1 0 242.366 3.759 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2cccnc2c1)C(C)C ZINC000589645294 346724816 /nfs/dbraw/zinc/72/48/16/346724816.db2.gz YXXWGNDKRYWVMC-OAHLLOKOSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc2cccnc2c1 ZINC000589645295 346724697 /nfs/dbraw/zinc/72/46/97/346724697.db2.gz HLIDRLWVNHQDFR-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000589645809 346725613 /nfs/dbraw/zinc/72/56/13/346725613.db2.gz YDZNPHLYLFFLHZ-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CSCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000589731280 346732337 /nfs/dbraw/zinc/73/23/37/346732337.db2.gz RLMOJHMRJIOTGG-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000589834062 346741584 /nfs/dbraw/zinc/74/15/84/346741584.db2.gz SXJWJZLFNBDAKF-UHFFFAOYSA-N 1 0 245.391 3.990 20 0 BHADRO CSC[C@@H]1CCC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000590053584 346768965 /nfs/dbraw/zinc/76/89/65/346768965.db2.gz FSKLXJNNXMJOLV-CHWSQXEVSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@H]1CCC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000590053585 346769170 /nfs/dbraw/zinc/76/91/70/346769170.db2.gz FSKLXJNNXMJOLV-OLZOCXBDSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@@H]1CCC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000590053586 346769063 /nfs/dbraw/zinc/76/90/63/346769063.db2.gz FSKLXJNNXMJOLV-QWHCGFSZSA-N 1 0 243.460 3.744 20 0 BHADRO CSC[C@H]1CCC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000590053587 346769091 /nfs/dbraw/zinc/76/90/91/346769091.db2.gz FSKLXJNNXMJOLV-STQMWFEESA-N 1 0 243.460 3.744 20 0 BHADRO CCC(CC)[N@H+](CC1CCCC1)C1CC1 ZINC000590058604 346769025 /nfs/dbraw/zinc/76/90/25/346769025.db2.gz YRQLLGMRSLQXNI-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000590061803 346769924 /nfs/dbraw/zinc/76/99/24/346769924.db2.gz CBIYTWYDGQKPLV-HNNXBMFYSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000590061805 346769875 /nfs/dbraw/zinc/76/98/75/346769875.db2.gz CBIYTWYDGQKPLV-OAHLLOKOSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000590061834 346769938 /nfs/dbraw/zinc/76/99/38/346769938.db2.gz FHJFFLZSEYAELO-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000590061836 346769853 /nfs/dbraw/zinc/76/98/53/346769853.db2.gz FHJFFLZSEYAELO-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000590062088 346769980 /nfs/dbraw/zinc/76/99/80/346769980.db2.gz RILOKKSKASKETM-GFCCVEGCSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000590062092 346769844 /nfs/dbraw/zinc/76/98/44/346769844.db2.gz RILOKKSKASKETM-LBPRGKRZSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000590062094 346769816 /nfs/dbraw/zinc/76/98/16/346769816.db2.gz RZXDYPFTOALNLM-CYBMUJFWSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000590062096 346769962 /nfs/dbraw/zinc/76/99/62/346769962.db2.gz RZXDYPFTOALNLM-ZDUSSCGKSA-N 1 0 223.747 3.714 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000590062188 346770059 /nfs/dbraw/zinc/77/00/59/346770059.db2.gz WJYUPSPDRDZZOC-JTQLQIEISA-N 1 0 241.737 3.854 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000590062196 346769867 /nfs/dbraw/zinc/76/98/67/346769867.db2.gz WJYUPSPDRDZZOC-SNVBAGLBSA-N 1 0 241.737 3.854 20 0 BHADRO CC[C@H]1CCC[N@@H+]1CCOc1cc(C)cc(C)c1 ZINC000590062508 346769927 /nfs/dbraw/zinc/76/99/27/346769927.db2.gz IFFCSGVEXDRAKT-HNNXBMFYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1CCOc1cc(C)cc(C)c1 ZINC000590062509 346770020 /nfs/dbraw/zinc/77/00/20/346770020.db2.gz IFFCSGVEXDRAKT-OAHLLOKOSA-N 1 0 247.382 3.557 20 0 BHADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC000590064063 346769057 /nfs/dbraw/zinc/76/90/57/346769057.db2.gz JKDXLEVUEBLBRW-HNNXBMFYSA-N 1 0 245.366 3.798 20 0 BHADRO COc1ccccc1[C@H]1CCC[N@@H+]1CC=C(C)C ZINC000590064066 346769011 /nfs/dbraw/zinc/76/90/11/346769011.db2.gz JKDXLEVUEBLBRW-OAHLLOKOSA-N 1 0 245.366 3.798 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000590125482 346777534 /nfs/dbraw/zinc/77/75/34/346777534.db2.gz IUQMRYUNNDAFQO-IZIDJEDMSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000590125484 346777374 /nfs/dbraw/zinc/77/73/74/346777374.db2.gz IUQMRYUNNDAFQO-MLBQELRYSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000590125485 346777341 /nfs/dbraw/zinc/77/73/41/346777341.db2.gz IUQMRYUNNDAFQO-WCLQSUPFSA-N 1 0 215.340 3.574 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000590125486 346777154 /nfs/dbraw/zinc/77/71/54/346777154.db2.gz IUQMRYUNNDAFQO-WGPYJDKQSA-N 1 0 215.340 3.574 20 0 BHADRO CCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000590127065 346778764 /nfs/dbraw/zinc/77/87/64/346778764.db2.gz NFZIJOUOCHCWRI-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CCc1ccccc1Cl ZINC000590293407 346938907 /nfs/dbraw/zinc/93/89/07/346938907.db2.gz XEORSHHJTNYLMJ-GFCCVEGCSA-N 1 0 239.790 3.859 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCc1ccccc1Cl ZINC000590293415 346939355 /nfs/dbraw/zinc/93/93/55/346939355.db2.gz XEORSHHJTNYLMJ-LBPRGKRZSA-N 1 0 239.790 3.859 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)s1 ZINC000590295384 346939810 /nfs/dbraw/zinc/93/98/10/346939810.db2.gz OPNMMJSSGGZDJZ-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCCC2)s1 ZINC000590295998 346940228 /nfs/dbraw/zinc/94/02/28/346940228.db2.gz MNJUNDXVHPDBHH-UHFFFAOYSA-N 1 0 223.385 3.679 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCC(C)C)s1 ZINC000590296130 346939775 /nfs/dbraw/zinc/93/97/75/346939775.db2.gz ZURHJDXDBOTRML-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CC[N@H+](Cc1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000590400498 347084867 /nfs/dbraw/zinc/08/48/67/347084867.db2.gz GUJOSULHUHNXCG-OAHLLOKOSA-N 1 0 233.330 3.756 20 0 BHADRO CC[N@H+](Cc1ccccc1C)[C@H]1C=CCCC1 ZINC000590400500 347084606 /nfs/dbraw/zinc/08/46/06/347084606.db2.gz IOSYLNXIEZRJBL-INIZCTEOSA-N 1 0 229.367 3.926 20 0 BHADRO CC[N@H+](Cc1ccccc1C)[C@@H]1C=CCCC1 ZINC000590400514 347084761 /nfs/dbraw/zinc/08/47/61/347084761.db2.gz IOSYLNXIEZRJBL-MRXNPFEDSA-N 1 0 229.367 3.926 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1C=CCCC1 ZINC000590400727 347085594 /nfs/dbraw/zinc/08/55/94/347085594.db2.gz OJBUFBVCLXXGTR-AWEZNQCLSA-N 1 0 235.758 3.881 20 0 BHADRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1C=CCCC1 ZINC000590400728 347085537 /nfs/dbraw/zinc/08/55/37/347085537.db2.gz OJBUFBVCLXXGTR-CQSZACIVSA-N 1 0 235.758 3.881 20 0 BHADRO c1ccc(C[N@H+](C2CC2)[C@H]2C=CCCC2)cc1 ZINC000590400781 347085697 /nfs/dbraw/zinc/08/56/97/347085697.db2.gz QWYMRXCWDBZVPW-HNNXBMFYSA-N 1 0 227.351 3.760 20 0 BHADRO c1ccc(C[N@H+](C2CC2)[C@@H]2C=CCCC2)cc1 ZINC000590400793 347085216 /nfs/dbraw/zinc/08/52/16/347085216.db2.gz QWYMRXCWDBZVPW-OAHLLOKOSA-N 1 0 227.351 3.760 20 0 BHADRO CC1CCC([N@H+](C)[C@H]2C=CCCC2)CC1 ZINC000590400855 347085690 /nfs/dbraw/zinc/08/56/90/347085690.db2.gz UUHKDSZZLXTMGS-MOKVOYLWSA-N 1 0 207.361 3.606 20 0 BHADRO CC1CCC([N@H+](C)[C@@H]2C=CCCC2)CC1 ZINC000590400860 347085740 /nfs/dbraw/zinc/08/57/40/347085740.db2.gz UUHKDSZZLXTMGS-ROKHWSDSSA-N 1 0 207.361 3.606 20 0 BHADRO Cc1cc(C)cc(OCC[N@@H+]2CCCC2(C)C)c1 ZINC000590605840 347477343 /nfs/dbraw/zinc/47/73/43/347477343.db2.gz LOHCHLUVOXGSMK-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C)n[nH]1)C1CCCCC1 ZINC000590612127 347482071 /nfs/dbraw/zinc/48/20/71/347482071.db2.gz OMTGYPSOCKGDQQ-HNNXBMFYSA-N 1 0 249.402 3.557 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C)n[nH]1)C1CCCCC1 ZINC000590612128 347482301 /nfs/dbraw/zinc/48/23/01/347482301.db2.gz OMTGYPSOCKGDQQ-OAHLLOKOSA-N 1 0 249.402 3.557 20 0 BHADRO CS[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000590656511 347486365 /nfs/dbraw/zinc/48/63/65/347486365.db2.gz AGJDUIRTFMFKLA-AWEZNQCLSA-N 1 0 247.407 3.501 20 0 BHADRO CS[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000590656512 347486248 /nfs/dbraw/zinc/48/62/48/347486248.db2.gz AGJDUIRTFMFKLA-CQSZACIVSA-N 1 0 247.407 3.501 20 0 BHADRO CSCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000590777480 347540178 /nfs/dbraw/zinc/54/01/78/347540178.db2.gz ROYAKDPWBUTATI-GXSJLCMTSA-N 1 0 241.425 3.639 20 0 BHADRO CSCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000590777484 347540398 /nfs/dbraw/zinc/54/03/98/347540398.db2.gz ROYAKDPWBUTATI-KOLCDFICSA-N 1 0 241.425 3.639 20 0 BHADRO CSCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000590777485 347540198 /nfs/dbraw/zinc/54/01/98/347540198.db2.gz ROYAKDPWBUTATI-MWLCHTKSSA-N 1 0 241.425 3.639 20 0 BHADRO CSCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000590777487 347540145 /nfs/dbraw/zinc/54/01/45/347540145.db2.gz ROYAKDPWBUTATI-ONGXEEELSA-N 1 0 241.425 3.639 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2C2CC2)c(C)c1 ZINC000590787574 347557329 /nfs/dbraw/zinc/55/73/29/347557329.db2.gz BDOXQYRTBCSRCQ-KRWDZBQOSA-N 1 0 243.394 3.986 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2C2CC2)c(C)c1 ZINC000590787575 347557124 /nfs/dbraw/zinc/55/71/24/347557124.db2.gz BDOXQYRTBCSRCQ-QGZVFWFLSA-N 1 0 243.394 3.986 20 0 BHADRO Clc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000590788014 347557895 /nfs/dbraw/zinc/55/78/95/347557895.db2.gz QSUUNOBEQRWWDW-AWEZNQCLSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000590788015 347557701 /nfs/dbraw/zinc/55/77/01/347557701.db2.gz QSUUNOBEQRWWDW-CQSZACIVSA-N 1 0 235.758 3.714 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CC2)c(C)s1 ZINC000590788227 347557937 /nfs/dbraw/zinc/55/79/37/347557937.db2.gz WUWNRCIDRYQYCF-AWEZNQCLSA-N 1 0 235.396 3.739 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)c(C)s1 ZINC000590788228 347557845 /nfs/dbraw/zinc/55/78/45/347557845.db2.gz WUWNRCIDRYQYCF-CQSZACIVSA-N 1 0 235.396 3.739 20 0 BHADRO Clc1ccccc1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000590788298 347558083 /nfs/dbraw/zinc/55/80/83/347558083.db2.gz YQWFUEJXMJWVCH-HNNXBMFYSA-N 1 0 249.785 3.757 20 0 BHADRO Clc1ccccc1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000590788299 347557691 /nfs/dbraw/zinc/55/76/91/347557691.db2.gz YQWFUEJXMJWVCH-OAHLLOKOSA-N 1 0 249.785 3.757 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)s1 ZINC000590789090 347558842 /nfs/dbraw/zinc/55/88/42/347558842.db2.gz PLTKOIDNZHYXTM-LLVKDONJSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)s1 ZINC000590789093 347559010 /nfs/dbraw/zinc/55/90/10/347559010.db2.gz PLTKOIDNZHYXTM-NSHDSACASA-N 1 0 241.787 3.776 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000590789441 347559150 /nfs/dbraw/zinc/55/91/50/347559150.db2.gz UUBJWXMOEKZGQQ-HNNXBMFYSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000590789443 347559051 /nfs/dbraw/zinc/55/90/51/347559051.db2.gz UUBJWXMOEKZGQQ-OAHLLOKOSA-N 1 0 247.407 3.783 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000590789488 347558885 /nfs/dbraw/zinc/55/88/85/347558885.db2.gz VSCRRUBPEXXFSC-INIZCTEOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000590789489 347558783 /nfs/dbraw/zinc/55/87/83/347558783.db2.gz VSCRRUBPEXXFSC-MRXNPFEDSA-N 1 0 229.367 3.678 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000590789588 347558632 /nfs/dbraw/zinc/55/86/32/347558632.db2.gz CLCUNMGPVIDZQV-AWEZNQCLSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000590789589 347558924 /nfs/dbraw/zinc/55/89/24/347558924.db2.gz CLCUNMGPVIDZQV-CQSZACIVSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000590789590 347558901 /nfs/dbraw/zinc/55/89/01/347558901.db2.gz FOLNWNJCZXTCDM-AWEZNQCLSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000590789591 347559106 /nfs/dbraw/zinc/55/91/06/347559106.db2.gz FOLNWNJCZXTCDM-CQSZACIVSA-N 1 0 235.758 3.714 20 0 BHADRO CC(C)OCCC[N@H+](C1CC1)C1CCCCC1 ZINC000590818393 385528121 /nfs/dbraw/zinc/52/81/21/385528121.db2.gz BQTJWROMOPBWJJ-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO COCCCCC[N@H+](C1CC1)C1CCCCC1 ZINC000590818437 385528137 /nfs/dbraw/zinc/52/81/37/385528137.db2.gz MIVFCZVQGWEADF-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CC[N@H+](CCCCCOC)Cc1ccc(C)cc1 ZINC000590818613 347568705 /nfs/dbraw/zinc/56/87/05/347568705.db2.gz GYNDMOWEIZGVCS-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000590820135 347568702 /nfs/dbraw/zinc/56/87/02/347568702.db2.gz HCRVFHJJDCHDMJ-INIZCTEOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000590820136 347568697 /nfs/dbraw/zinc/56/86/97/347568697.db2.gz HCRVFHJJDCHDMJ-MRXNPFEDSA-N 1 0 229.367 3.678 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H]1C1CC1 ZINC000590820368 347568841 /nfs/dbraw/zinc/56/88/41/347568841.db2.gz XDOXLHMUCXERDR-FAOGRTBUSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000590820369 347568872 /nfs/dbraw/zinc/56/88/72/347568872.db2.gz XDOXLHMUCXERDR-KZJSRBBCSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000590820370 347569129 /nfs/dbraw/zinc/56/91/29/347569129.db2.gz XDOXLHMUCXERDR-LWAXHKBTSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H]1C1CC1 ZINC000590820371 347569341 /nfs/dbraw/zinc/56/93/41/347569341.db2.gz XDOXLHMUCXERDR-YCOJEUHLSA-N 1 0 227.351 3.574 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000590882119 347578737 /nfs/dbraw/zinc/57/87/37/347578737.db2.gz KAZCVEMITGQCKJ-GDBMZVCRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000590882120 347579074 /nfs/dbraw/zinc/57/90/74/347579074.db2.gz KAZCVEMITGQCKJ-GOEBONIOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000590882121 347578863 /nfs/dbraw/zinc/57/88/63/347578863.db2.gz KAZCVEMITGQCKJ-HOCLYGCPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000590882122 347578765 /nfs/dbraw/zinc/57/87/65/347578765.db2.gz KAZCVEMITGQCKJ-ZBFHGGJFSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000590882241 347578698 /nfs/dbraw/zinc/57/86/98/347578698.db2.gz XRIWIHXKWMRATE-DOMZBBRYSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000590882242 347578865 /nfs/dbraw/zinc/57/88/65/347578865.db2.gz XRIWIHXKWMRATE-IUODEOHRSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000590882243 347578829 /nfs/dbraw/zinc/57/88/29/347578829.db2.gz XRIWIHXKWMRATE-SWLSCSKDSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000590882244 347579105 /nfs/dbraw/zinc/57/91/05/347579105.db2.gz XRIWIHXKWMRATE-WFASDCNBSA-N 1 0 246.398 3.694 20 0 BHADRO c1ccc(C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000590925289 347589893 /nfs/dbraw/zinc/58/98/93/347589893.db2.gz ZHIWCEVTJWWKNW-UHFFFAOYSA-N 1 0 215.340 3.594 20 0 BHADRO Fc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000590926017 347590059 /nfs/dbraw/zinc/59/00/59/347590059.db2.gz SPOYYJFACNSUSN-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO Cc1cccc(OCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000591082778 347616453 /nfs/dbraw/zinc/61/64/53/347616453.db2.gz IXKQPRTVXXQEHC-GJZGRUSLSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1cccc(OCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000591082779 347616450 /nfs/dbraw/zinc/61/64/50/347616450.db2.gz IXKQPRTVXXQEHC-HUUCEWRRSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCCOc1ccccc1 ZINC000591083338 347616451 /nfs/dbraw/zinc/61/64/51/347616451.db2.gz GDGBAEZVISSWBD-GJZGRUSLSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCOc1ccccc1 ZINC000591083339 347616418 /nfs/dbraw/zinc/61/64/18/347616418.db2.gz GDGBAEZVISSWBD-HUUCEWRRSA-N 1 0 247.382 3.718 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CC1CCCCC1 ZINC000591083347 347616206 /nfs/dbraw/zinc/61/62/06/347616206.db2.gz JVNCFTDWRARJFM-CHWSQXEVSA-N 1 0 209.377 3.830 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CC1CCCCC1 ZINC000591083348 347616441 /nfs/dbraw/zinc/61/64/41/347616441.db2.gz JVNCFTDWRARJFM-STQMWFEESA-N 1 0 209.377 3.830 20 0 BHADRO Fc1ccc(C2([NH2+]CC3CCCC3)CCC2)cc1 ZINC000591375539 347650607 /nfs/dbraw/zinc/65/06/07/347650607.db2.gz FTKMOZRNSZDZEA-UHFFFAOYSA-N 1 0 247.357 3.985 20 0 BHADRO CC(C)CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000591375857 347650383 /nfs/dbraw/zinc/65/03/83/347650383.db2.gz KRJNDPFQHSMJJN-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO CC(C)=CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000591376072 347650686 /nfs/dbraw/zinc/65/06/86/347650686.db2.gz PERDHLYXUWYYHU-UHFFFAOYSA-N 1 0 233.330 3.761 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000591378240 347651079 /nfs/dbraw/zinc/65/10/79/347651079.db2.gz CFCKRKUJLNCLKU-HNNXBMFYSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000591378241 347651177 /nfs/dbraw/zinc/65/11/77/347651177.db2.gz CFCKRKUJLNCLKU-OAHLLOKOSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378820 347651263 /nfs/dbraw/zinc/65/12/63/347651263.db2.gz IKMNHOVXDMCAPA-UHFFFAOYSA-N 1 0 239.309 3.553 20 0 BHADRO CCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378948 347651685 /nfs/dbraw/zinc/65/16/85/347651685.db2.gz KXOPZOAVZWYPAK-UHFFFAOYSA-N 1 0 239.309 3.554 20 0 BHADRO CC[N@H+](CCc1ccccc1Cl)CC(C)C ZINC000591469549 397927749 /nfs/dbraw/zinc/92/77/49/397927749.db2.gz GBMJOZSDRTUMPI-UHFFFAOYSA-N 1 0 239.790 3.860 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591472632 347667345 /nfs/dbraw/zinc/66/73/45/347667345.db2.gz RISIVSLRQBNTJD-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CCOCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472633 347667396 /nfs/dbraw/zinc/66/73/96/347667396.db2.gz RISIVSLRQBNTJD-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCOC(C)(C)C)C1CC1 ZINC000591474890 347667383 /nfs/dbraw/zinc/66/73/83/347667383.db2.gz JPZWCOCSFVYRRX-CHWSQXEVSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCOC(C)(C)C)C1CC1 ZINC000591474891 347667521 /nfs/dbraw/zinc/66/75/21/347667521.db2.gz JPZWCOCSFVYRRX-OLZOCXBDSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCOC(C)(C)C)C1CC1 ZINC000591474892 347667585 /nfs/dbraw/zinc/66/75/85/347667585.db2.gz JPZWCOCSFVYRRX-QWHCGFSZSA-N 1 0 241.419 3.701 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CC=C(C)C)C1CC1 ZINC000591476436 347667594 /nfs/dbraw/zinc/66/75/94/347667594.db2.gz QFUKFXKGNJOQRV-CHWSQXEVSA-N 1 0 209.377 3.852 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CC=C(C)C)C1CC1 ZINC000591476437 347667603 /nfs/dbraw/zinc/66/76/03/347667603.db2.gz QFUKFXKGNJOQRV-OLZOCXBDSA-N 1 0 209.377 3.852 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CC=C(C)C)C1CC1 ZINC000591476438 347667555 /nfs/dbraw/zinc/66/75/55/347667555.db2.gz QFUKFXKGNJOQRV-QWHCGFSZSA-N 1 0 209.377 3.852 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CC=C(C)C)C1CC1 ZINC000591476439 347667326 /nfs/dbraw/zinc/66/73/26/347667326.db2.gz QFUKFXKGNJOQRV-STQMWFEESA-N 1 0 209.377 3.852 20 0 BHADRO c1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)co1 ZINC000591699477 347690174 /nfs/dbraw/zinc/69/01/74/347690174.db2.gz VGILJNWAQORYDK-INIZCTEOSA-N 1 0 241.334 3.911 20 0 BHADRO c1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)co1 ZINC000591699479 347690338 /nfs/dbraw/zinc/69/03/38/347690338.db2.gz VGILJNWAQORYDK-MRXNPFEDSA-N 1 0 241.334 3.911 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc2cccnc2c1 ZINC000591710584 347687594 /nfs/dbraw/zinc/68/75/94/347687594.db2.gz LMAACNTUCKXGAA-HNNXBMFYSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc2cccnc2c1 ZINC000591710590 347687760 /nfs/dbraw/zinc/68/77/60/347687760.db2.gz LMAACNTUCKXGAA-OAHLLOKOSA-N 1 0 242.366 3.903 20 0 BHADRO CCCc1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000591718135 347688411 /nfs/dbraw/zinc/68/84/11/347688411.db2.gz ICOYLTSAXBCVOX-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000591724369 347688882 /nfs/dbraw/zinc/68/88/82/347688882.db2.gz KJHFQWWTSVNFGI-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000591724371 347689108 /nfs/dbraw/zinc/68/91/08/347689108.db2.gz KJHFQWWTSVNFGI-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000591724373 347688969 /nfs/dbraw/zinc/68/89/69/347688969.db2.gz KJHFQWWTSVNFGI-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000591724374 347688946 /nfs/dbraw/zinc/68/89/46/347688946.db2.gz KJHFQWWTSVNFGI-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CC2=CCCC2)C1 ZINC000592070293 347727692 /nfs/dbraw/zinc/72/76/92/347727692.db2.gz MXLCNHQQTUPPFY-KBPBESRZSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC2=CCCC2)C1 ZINC000592070312 347727125 /nfs/dbraw/zinc/72/71/25/347727125.db2.gz MXLCNHQQTUPPFY-KGLIPLIRSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC2=CCCC2)C1 ZINC000592070313 347727186 /nfs/dbraw/zinc/72/71/86/347727186.db2.gz MXLCNHQQTUPPFY-UONOGXRCSA-N 1 0 239.428 3.703 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC2=CCCC2)C1 ZINC000592070315 347727237 /nfs/dbraw/zinc/72/72/37/347727237.db2.gz MXLCNHQQTUPPFY-ZIAGYGMSSA-N 1 0 239.428 3.703 20 0 BHADRO CCSCC[C@@H](C)[N@H+](C)CC1=CCCC1 ZINC000592084752 487805382 /nfs/dbraw/zinc/80/53/82/487805382.db2.gz WZMVVLPBRXKPNF-GFCCVEGCSA-N 1 0 227.417 3.560 20 0 BHADRO CCSCC[C@H](C)[N@H+](C)CC1=CCCC1 ZINC000592084785 487806061 /nfs/dbraw/zinc/80/60/61/487806061.db2.gz WZMVVLPBRXKPNF-LBPRGKRZSA-N 1 0 227.417 3.560 20 0 BHADRO Cc1ccccc1C1([NH2+]CCSC(C)C)CC1 ZINC000592139868 397945583 /nfs/dbraw/zinc/94/55/83/397945583.db2.gz LHRWJJYMJLDESR-UHFFFAOYSA-N 1 0 249.423 3.715 20 0 BHADRO CCSCC[NH2+][C@H](CC)c1csc(C)c1 ZINC000592190979 397946581 /nfs/dbraw/zinc/94/65/81/397946581.db2.gz TZMYQOKSRUWCIL-GFCCVEGCSA-N 1 0 243.441 3.850 20 0 BHADRO CCSCC[NH2+][C@@H](CC)c1csc(C)c1 ZINC000592190980 397946623 /nfs/dbraw/zinc/94/66/23/397946623.db2.gz TZMYQOKSRUWCIL-LBPRGKRZSA-N 1 0 243.441 3.850 20 0 BHADRO CC[N@H+](CCSC)Cc1sccc1Cl ZINC000592201985 347753636 /nfs/dbraw/zinc/75/36/36/347753636.db2.gz MWNPFURTEHMSNE-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO CC[N@H+](CCSC)Cc1cc(C)sc1C ZINC000592205694 347756507 /nfs/dbraw/zinc/75/65/07/347756507.db2.gz ZELKPJUTFAYUFU-UHFFFAOYSA-N 1 0 243.441 3.550 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000592455870 347783525 /nfs/dbraw/zinc/78/35/25/347783525.db2.gz CEKYIBSZRBMKTA-HNNXBMFYSA-N 1 0 247.382 3.610 20 0 BHADRO CC(C)COc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000592455871 347783233 /nfs/dbraw/zinc/78/32/33/347783233.db2.gz CEKYIBSZRBMKTA-OAHLLOKOSA-N 1 0 247.382 3.610 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000592456431 347783549 /nfs/dbraw/zinc/78/35/49/347783549.db2.gz VRWJEVCJMRIVOW-AWEZNQCLSA-N 1 0 249.398 4.000 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000592456432 347783321 /nfs/dbraw/zinc/78/33/21/347783321.db2.gz VRWJEVCJMRIVOW-CQSZACIVSA-N 1 0 249.398 4.000 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000592456478 347783411 /nfs/dbraw/zinc/78/34/11/347783411.db2.gz XDEKDFBPUZGBQK-UHFFFAOYSA-N 1 0 249.398 4.000 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc2cccnc2c1 ZINC000592461385 347784199 /nfs/dbraw/zinc/78/41/99/347784199.db2.gz HMXBLXITTXQTAB-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC[N@H+](CCSC)Cc1ccc2occc2c1 ZINC000592531947 347796733 /nfs/dbraw/zinc/79/67/33/347796733.db2.gz YIUFKPACYIGKBW-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO c1cc2c(s1)CCC[N@@H+](CC1CCCC1)C2 ZINC000592982718 347841819 /nfs/dbraw/zinc/84/18/19/347841819.db2.gz JYGJUONFJOUEJH-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO CC(C)CC[N@@H+]1CCCc2sccc2C1 ZINC000592983482 347842072 /nfs/dbraw/zinc/84/20/72/347842072.db2.gz POKSROXSNBJZKW-UHFFFAOYSA-N 1 0 223.385 3.542 20 0 BHADRO c1cc2c(s1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000592983888 347836374 /nfs/dbraw/zinc/83/63/74/347836374.db2.gz NJOXZNRUHPNFCY-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO CC(C)CSCCC[NH2+]C1(C2CCC2)CC1 ZINC000593078969 347850963 /nfs/dbraw/zinc/85/09/63/347850963.db2.gz AOTKZAFEBNXOOB-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCCSC ZINC000593600098 347918623 /nfs/dbraw/zinc/91/86/23/347918623.db2.gz HPRARLGAHVIJMT-CHWSQXEVSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCCSC ZINC000593600117 347918614 /nfs/dbraw/zinc/91/86/14/347918614.db2.gz HPRARLGAHVIJMT-OLZOCXBDSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCCSC ZINC000593600118 347918592 /nfs/dbraw/zinc/91/85/92/347918592.db2.gz HPRARLGAHVIJMT-QWHCGFSZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCCSC ZINC000593600119 347919181 /nfs/dbraw/zinc/91/91/81/347919181.db2.gz HPRARLGAHVIJMT-STQMWFEESA-N 1 0 229.433 3.688 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC=C(C)CC1 ZINC000593654286 347922198 /nfs/dbraw/zinc/92/21/98/347922198.db2.gz NENSCWALARAIOW-BFHYXJOUSA-N 1 0 239.428 3.749 20 0 BHADRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000593654297 347921945 /nfs/dbraw/zinc/92/19/45/347921945.db2.gz NENSCWALARAIOW-MGPQQGTHSA-N 1 0 239.428 3.749 20 0 BHADRO CC(C)(CCSCC1CC[NH2+]CC1)C1CC1 ZINC000593956761 347971535 /nfs/dbraw/zinc/97/15/35/347971535.db2.gz GAIZUOGIRSHIFQ-UHFFFAOYSA-N 1 0 241.444 3.546 20 0 BHADRO COCCC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000594397489 348040619 /nfs/dbraw/zinc/04/06/19/348040619.db2.gz UGLRSMGIXVPOEN-UHFFFAOYSA-N 1 0 249.398 3.671 20 0 BHADRO CC1([NH2+]CCSCc2ccccc2)CC=CC1 ZINC000594614953 348083388 /nfs/dbraw/zinc/08/33/88/348083388.db2.gz NBBPFQHBBPNSGJ-UHFFFAOYSA-N 1 0 247.407 3.618 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC000594711044 348104304 /nfs/dbraw/zinc/10/43/04/348104304.db2.gz LNSCGVQIOFRQKC-CYBMUJFWSA-N 1 0 249.423 3.871 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000594711047 348104106 /nfs/dbraw/zinc/10/41/06/348104106.db2.gz LNSCGVQIOFRQKC-ZDUSSCGKSA-N 1 0 249.423 3.871 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000594962078 348151626 /nfs/dbraw/zinc/15/16/26/348151626.db2.gz AVALOKACZRNSGQ-NEPJUHHUSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000594962081 348151552 /nfs/dbraw/zinc/15/15/52/348151552.db2.gz AVALOKACZRNSGQ-NWDGAFQWSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000594962082 348151695 /nfs/dbraw/zinc/15/16/95/348151695.db2.gz AVALOKACZRNSGQ-RYUDHWBXSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000594962083 348151660 /nfs/dbraw/zinc/15/16/60/348151660.db2.gz AVALOKACZRNSGQ-VXGBXAGGSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)CC(C)C)CC1 ZINC000594962140 348151413 /nfs/dbraw/zinc/15/14/13/348151413.db2.gz BRIOYKSODYCFDL-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)CC(C)C)CC1 ZINC000594962150 348151614 /nfs/dbraw/zinc/15/16/14/348151614.db2.gz BRIOYKSODYCFDL-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC1(CC[NH2+]C2CCCCCC2)CC1 ZINC000594962236 348151645 /nfs/dbraw/zinc/15/16/45/348151645.db2.gz DLUDUROFAIYTFD-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CSCC1(CC[NH2+]CC2CCCCC2)CC1 ZINC000594962506 348151705 /nfs/dbraw/zinc/15/17/05/348151705.db2.gz FRLZXSZUAYAKQY-UHFFFAOYSA-N 1 0 241.444 3.690 20 0 BHADRO CCC(CC)C[NH2+]CCC1(CSC)CC1 ZINC000594962532 348151568 /nfs/dbraw/zinc/15/15/68/348151568.db2.gz HEAAGEYUMUIRJW-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CSCC1(CC[NH2+]C2CCC(C)CC2)CC1 ZINC000594962603 348152179 /nfs/dbraw/zinc/15/21/79/348152179.db2.gz INEABGKMZOUQRN-UHFFFAOYSA-N 1 0 241.444 3.688 20 0 BHADRO CCC[C@@H](C)C[NH2+]CCC1(CSC)CC1 ZINC000594963506 348143216 /nfs/dbraw/zinc/14/32/16/348143216.db2.gz OTRBKJPHOPZJCW-GFCCVEGCSA-N 1 0 229.433 3.546 20 0 BHADRO CCC[C@H](C)C[NH2+]CCC1(CSC)CC1 ZINC000594963507 348143296 /nfs/dbraw/zinc/14/32/96/348143296.db2.gz OTRBKJPHOPZJCW-LBPRGKRZSA-N 1 0 229.433 3.546 20 0 BHADRO CSCC1(CC[NH2+]CCCC(C)C)CC1 ZINC000594963549 348143864 /nfs/dbraw/zinc/14/38/64/348143864.db2.gz RFGAJVQZELNLNQ-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000594964372 348160601 /nfs/dbraw/zinc/16/06/01/348160601.db2.gz ZKHWUSANARPBND-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000594964374 348160485 /nfs/dbraw/zinc/16/04/85/348160485.db2.gz ZKHWUSANARPBND-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000594964376 348160657 /nfs/dbraw/zinc/16/06/57/348160657.db2.gz ZKHWUSANARPBND-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000594964377 348160642 /nfs/dbraw/zinc/16/06/42/348160642.db2.gz ZKHWUSANARPBND-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+]Cc2ccccc2C)CC1 ZINC000594966250 348160546 /nfs/dbraw/zinc/16/05/46/348160546.db2.gz DRDWGUURSCQGCS-UHFFFAOYSA-N 1 0 249.423 3.618 20 0 BHADRO CSCC1(CC[NH2+]Cc2cccc(C)c2)CC1 ZINC000594966302 348160440 /nfs/dbraw/zinc/16/04/40/348160440.db2.gz FVGUOZNCVCVKQH-UHFFFAOYSA-N 1 0 249.423 3.618 20 0 BHADRO CSCC1(CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC000594968504 348161103 /nfs/dbraw/zinc/16/11/03/348161103.db2.gz QAPVQDXECYISJK-UHFFFAOYSA-N 1 0 249.423 3.618 20 0 BHADRO CCSC1(C[NH2+]C2CCCCCC2)CC1 ZINC000594985274 348165511 /nfs/dbraw/zinc/16/55/11/348165511.db2.gz VKUOHVNDQDWQFK-UHFFFAOYSA-N 1 0 227.417 3.585 20 0 BHADRO CCSC1(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000594986517 348166353 /nfs/dbraw/zinc/16/63/53/348166353.db2.gz DXYLHXXEBONUQX-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO CCSC1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000594986523 348166249 /nfs/dbraw/zinc/16/62/49/348166249.db2.gz FDECVJUAXWTPFU-RMKNXTFCSA-N 1 0 247.407 3.575 20 0 BHADRO CCSC1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000594986524 348166305 /nfs/dbraw/zinc/16/63/05/348166305.db2.gz FDECVJUAXWTPFU-TWGQIWQCSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@H](CSCCF)[NH2+]CCC1=CCCCC1 ZINC000595005910 348157325 /nfs/dbraw/zinc/15/73/25/348157325.db2.gz FVPNJYOHWPPRPK-GFCCVEGCSA-N 1 0 245.407 3.558 20 0 BHADRO C[C@@H](CSCCF)[NH2+]CCC1=CCCCC1 ZINC000595005911 348157301 /nfs/dbraw/zinc/15/73/01/348157301.db2.gz FVPNJYOHWPPRPK-LBPRGKRZSA-N 1 0 245.407 3.558 20 0 BHADRO CSCCCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595007075 348157922 /nfs/dbraw/zinc/15/79/22/348157922.db2.gz FSDVIYODTXYRBS-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO CSCCCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595007076 348158019 /nfs/dbraw/zinc/15/80/19/348158019.db2.gz FSDVIYODTXYRBS-FRRDWIJNSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](CSCCF)[NH2+][C@@H](C)C1CCCCC1 ZINC000595024471 348172792 /nfs/dbraw/zinc/17/27/92/348172792.db2.gz GGHUDSJJIUPZEH-NEPJUHHUSA-N 1 0 247.423 3.636 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CSCCF)C1CCCCC1 ZINC000595024472 348172694 /nfs/dbraw/zinc/17/26/94/348172694.db2.gz GGHUDSJJIUPZEH-NWDGAFQWSA-N 1 0 247.423 3.636 20 0 BHADRO C[C@@H](CSCCF)[NH2+][C@@H](C)C1CCCCC1 ZINC000595024473 348172567 /nfs/dbraw/zinc/17/25/67/348172567.db2.gz GGHUDSJJIUPZEH-RYUDHWBXSA-N 1 0 247.423 3.636 20 0 BHADRO C[C@H](CSCCF)[NH2+][C@H](C)C1CCCCC1 ZINC000595024474 348172727 /nfs/dbraw/zinc/17/27/27/348172727.db2.gz GGHUDSJJIUPZEH-VXGBXAGGSA-N 1 0 247.423 3.636 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000595042145 348178152 /nfs/dbraw/zinc/17/81/52/348178152.db2.gz PQFFOMAOQOZOEO-CHWSQXEVSA-N 1 0 247.423 3.802 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000595042147 348178131 /nfs/dbraw/zinc/17/81/31/348178131.db2.gz PQFFOMAOQOZOEO-OLZOCXBDSA-N 1 0 247.423 3.802 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)CSCCF ZINC000595042148 348178260 /nfs/dbraw/zinc/17/82/60/348178260.db2.gz PQFFOMAOQOZOEO-QWHCGFSZSA-N 1 0 247.423 3.802 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000595042149 348178125 /nfs/dbraw/zinc/17/81/25/348178125.db2.gz PQFFOMAOQOZOEO-STQMWFEESA-N 1 0 247.423 3.802 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSCCF)C1CCCC1 ZINC000595054157 348182039 /nfs/dbraw/zinc/18/20/39/348182039.db2.gz YCXPEEGCSLRMAR-AAEUAGOBSA-N 1 0 247.423 3.636 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSCCF)C1CCCC1 ZINC000595054158 348182127 /nfs/dbraw/zinc/18/21/27/348182127.db2.gz YCXPEEGCSLRMAR-DGCLKSJQSA-N 1 0 247.423 3.636 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSCCF)C1CCCC1 ZINC000595054159 348182003 /nfs/dbraw/zinc/18/20/03/348182003.db2.gz YCXPEEGCSLRMAR-WCQYABFASA-N 1 0 247.423 3.636 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSCCF)C1CCCC1 ZINC000595054160 348182067 /nfs/dbraw/zinc/18/20/67/348182067.db2.gz YCXPEEGCSLRMAR-YPMHNXCESA-N 1 0 247.423 3.636 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCC1(CSC)CC1 ZINC000595064410 348186754 /nfs/dbraw/zinc/18/67/54/348186754.db2.gz AEYHOCSVJFGIPW-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCC[C@H](CC)[NH2+]CCC1(CSC)CC1 ZINC000595064411 348186565 /nfs/dbraw/zinc/18/65/65/348186565.db2.gz AEYHOCSVJFGIPW-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)C2CCCC2)CC1 ZINC000595064443 348186752 /nfs/dbraw/zinc/18/67/52/348186752.db2.gz BBHLIBWOUNWIGG-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000595064444 348186616 /nfs/dbraw/zinc/18/66/16/348186616.db2.gz BBHLIBWOUNWIGG-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000595064457 348186680 /nfs/dbraw/zinc/18/66/80/348186680.db2.gz BGCIHDDJFJAIAH-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000595064458 348186653 /nfs/dbraw/zinc/18/66/53/348186653.db2.gz BGCIHDDJFJAIAH-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+]C2CC(C(C)C)C2)CC1 ZINC000595065882 348186459 /nfs/dbraw/zinc/18/64/59/348186459.db2.gz FMIHYPYZHMYGDA-UHFFFAOYSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)CCC2CC2)CC1 ZINC000595065883 348186750 /nfs/dbraw/zinc/18/67/50/348186750.db2.gz FNAYBVKGXVZYNU-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000595065884 348186590 /nfs/dbraw/zinc/18/65/90/348186590.db2.gz FNAYBVKGXVZYNU-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000595067496 348187136 /nfs/dbraw/zinc/18/71/36/348187136.db2.gz JARDLJLEAHONEZ-CYBMUJFWSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000595067498 348187270 /nfs/dbraw/zinc/18/72/70/348187270.db2.gz JARDLJLEAHONEZ-ZDUSSCGKSA-N 1 0 241.444 3.544 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595068697 348187604 /nfs/dbraw/zinc/18/76/04/348187604.db2.gz KBDMJHHJVPWKQG-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CCCC[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595068698 348188246 /nfs/dbraw/zinc/18/82/46/348188246.db2.gz KBDMJHHJVPWKQG-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)CC2CCC2)CC1 ZINC000595068752 348188196 /nfs/dbraw/zinc/18/81/96/348188196.db2.gz KSCZGZHVBIITBT-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)CC2CCC2)CC1 ZINC000595068753 348188158 /nfs/dbraw/zinc/18/81/58/348188158.db2.gz KSCZGZHVBIITBT-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000595070304 348188163 /nfs/dbraw/zinc/18/81/63/348188163.db2.gz NCKXFMBWYNKWPN-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000595070306 348188090 /nfs/dbraw/zinc/18/80/90/348188090.db2.gz NCKXFMBWYNKWPN-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC1(CSC)CC1 ZINC000595070326 348188186 /nfs/dbraw/zinc/18/81/86/348188186.db2.gz NUTIZYDJELFRIE-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC1(CSC)CC1 ZINC000595070327 348188097 /nfs/dbraw/zinc/18/80/97/348188097.db2.gz NUTIZYDJELFRIE-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CCC1(CSC)CC1 ZINC000595070328 348188151 /nfs/dbraw/zinc/18/81/51/348188151.db2.gz NUTIZYDJELFRIE-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCC1(CSC)CC1 ZINC000595070329 348188187 /nfs/dbraw/zinc/18/81/87/348188187.db2.gz NUTIZYDJELFRIE-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595070790 348188206 /nfs/dbraw/zinc/18/82/06/348188206.db2.gz OBUNKUUESLYEGS-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595070791 348188251 /nfs/dbraw/zinc/18/82/51/348188251.db2.gz OBUNKUUESLYEGS-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000595071545 348188555 /nfs/dbraw/zinc/18/85/55/348188555.db2.gz PYIHWLGFDFYLNT-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000595071546 348188800 /nfs/dbraw/zinc/18/88/00/348188800.db2.gz PYIHWLGFDFYLNT-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000595071548 348188854 /nfs/dbraw/zinc/18/88/54/348188854.db2.gz PYIHWLGFDFYLNT-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000595071549 348188828 /nfs/dbraw/zinc/18/88/28/348188828.db2.gz PYIHWLGFDFYLNT-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]([NH2+]CCC1(CSC)CC1)C(C)C ZINC000595072593 348188662 /nfs/dbraw/zinc/18/86/62/348188662.db2.gz HUIDWKSVKUQICD-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)C(C)C ZINC000595072594 348188647 /nfs/dbraw/zinc/18/86/47/348188647.db2.gz HUIDWKSVKUQICD-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595073552 348188658 /nfs/dbraw/zinc/18/86/58/348188658.db2.gz NEVPPGRCNDPSKM-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595073553 348188946 /nfs/dbraw/zinc/18/89/46/348188946.db2.gz NEVPPGRCNDPSKM-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595073554 348189437 /nfs/dbraw/zinc/18/94/37/348189437.db2.gz NEVPPGRCNDPSKM-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595073555 348189157 /nfs/dbraw/zinc/18/91/57/348189157.db2.gz NEVPPGRCNDPSKM-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)CCC(C)C)CC1 ZINC000595073606 348189441 /nfs/dbraw/zinc/18/94/41/348189441.db2.gz OGHYTJIHIAWBNS-CYBMUJFWSA-N 1 0 243.460 3.934 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000595073607 348189052 /nfs/dbraw/zinc/18/90/52/348189052.db2.gz OGHYTJIHIAWBNS-ZDUSSCGKSA-N 1 0 243.460 3.934 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)[C@H]1C[C@H]1C ZINC000595074022 348189086 /nfs/dbraw/zinc/18/90/86/348189086.db2.gz VBQHXXUGQIFUII-AGIUHOORSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)[C@H]1C[C@@H]1C ZINC000595074024 348189080 /nfs/dbraw/zinc/18/90/80/348189080.db2.gz VBQHXXUGQIFUII-AVGNSLFASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)[C@@H]1C[C@H]1C ZINC000595074026 348189218 /nfs/dbraw/zinc/18/92/18/348189218.db2.gz VBQHXXUGQIFUII-UPJWGTAASA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)[C@@H]1C[C@@H]1C ZINC000595074027 348189309 /nfs/dbraw/zinc/18/93/09/348189309.db2.gz VBQHXXUGQIFUII-XQQFMLRXSA-N 1 0 241.444 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCC1(CSC)CC1)C1CCC1 ZINC000595075302 348189488 /nfs/dbraw/zinc/18/94/88/348189488.db2.gz YICREELZOFNNGY-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]CCC1(CSC)CC1)C1CCC1 ZINC000595075303 348189569 /nfs/dbraw/zinc/18/95/69/348189569.db2.gz YICREELZOFNNGY-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000595076195 348189119 /nfs/dbraw/zinc/18/91/19/348189119.db2.gz XVYKCVXKKFIYFI-LLVKDONJSA-N 1 0 229.433 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000595076196 348189173 /nfs/dbraw/zinc/18/91/73/348189173.db2.gz XVYKCVXKKFIYFI-NSHDSACASA-N 1 0 229.433 3.544 20 0 BHADRO CSCC1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000595086616 348190501 /nfs/dbraw/zinc/19/05/01/348190501.db2.gz MJQDMMGIYYKJGY-UHFFFAOYSA-N 1 0 247.423 3.636 20 0 BHADRO CCSC1(C[NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000595091448 348192269 /nfs/dbraw/zinc/19/22/69/348192269.db2.gz IHWPBZUFFHVONI-LLVKDONJSA-N 1 0 229.433 3.686 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000595091449 348192252 /nfs/dbraw/zinc/19/22/52/348192252.db2.gz IHWPBZUFFHVONI-NSHDSACASA-N 1 0 229.433 3.686 20 0 BHADRO CCSC1(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000595091865 348191809 /nfs/dbraw/zinc/19/18/09/348191809.db2.gz KHMZVYMLHWLKNR-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CCSC1(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000595091866 348192239 /nfs/dbraw/zinc/19/22/39/348192239.db2.gz KHMZVYMLHWLKNR-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO CCSC1(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000595093232 348193082 /nfs/dbraw/zinc/19/30/82/348193082.db2.gz OGHMPQPLURZMEW-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CCSC1(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000595093235 348192829 /nfs/dbraw/zinc/19/28/29/348192829.db2.gz OGHMPQPLURZMEW-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000595097688 348194223 /nfs/dbraw/zinc/19/42/23/348194223.db2.gz CKYXZWSEYNMGEY-JTQLQIEISA-N 1 0 241.425 3.684 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2cccs2)CC1 ZINC000595097689 348194339 /nfs/dbraw/zinc/19/43/39/348194339.db2.gz CKYXZWSEYNMGEY-SNVBAGLBSA-N 1 0 241.425 3.684 20 0 BHADRO CSCC1CCC([NH2+][C@]2(C)CC2(C)C)CC1 ZINC000595097987 348194260 /nfs/dbraw/zinc/19/42/60/348194260.db2.gz APEIFXZGRVQGKP-ORHYLEIMSA-N 1 0 241.444 3.686 20 0 BHADRO CSCC1CCC([NH2+][C@@]2(C)CC2(C)C)CC1 ZINC000595097988 348194415 /nfs/dbraw/zinc/19/44/15/348194415.db2.gz APEIFXZGRVQGKP-YIZWMMSDSA-N 1 0 241.444 3.686 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000595098182 348194219 /nfs/dbraw/zinc/19/42/19/348194219.db2.gz CZWXYCIANOMDSJ-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000595098183 348194335 /nfs/dbraw/zinc/19/43/35/348194335.db2.gz CZWXYCIANOMDSJ-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000595098913 348194271 /nfs/dbraw/zinc/19/42/71/348194271.db2.gz JQPBZTCAAKOBLK-JTQLQIEISA-N 1 0 241.425 3.684 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000595098914 348194273 /nfs/dbraw/zinc/19/42/73/348194273.db2.gz JQPBZTCAAKOBLK-SNVBAGLBSA-N 1 0 241.425 3.684 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000595100323 348195232 /nfs/dbraw/zinc/19/52/32/348195232.db2.gz RMCFAQHZJKSDPG-GFCCVEGCSA-N 1 0 235.396 3.623 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000595100324 348195153 /nfs/dbraw/zinc/19/51/53/348195153.db2.gz RMCFAQHZJKSDPG-LBPRGKRZSA-N 1 0 235.396 3.623 20 0 BHADRO CCSC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000595100588 348195157 /nfs/dbraw/zinc/19/51/57/348195157.db2.gz SMBOBFWJNVBTBS-AWEZNQCLSA-N 1 0 247.407 3.549 20 0 BHADRO CCSC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000595100590 348195213 /nfs/dbraw/zinc/19/52/13/348195213.db2.gz SMBOBFWJNVBTBS-CQSZACIVSA-N 1 0 247.407 3.549 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000595102019 348196198 /nfs/dbraw/zinc/19/61/98/348196198.db2.gz XWXLCFSVTJPEKR-LLVKDONJSA-N 1 0 239.384 3.524 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000595102020 348195906 /nfs/dbraw/zinc/19/59/06/348195906.db2.gz XWXLCFSVTJPEKR-NSHDSACASA-N 1 0 239.384 3.524 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000595102023 348195963 /nfs/dbraw/zinc/19/59/63/348195963.db2.gz XXWKYLXDVMIUFX-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000595102024 348196043 /nfs/dbraw/zinc/19/60/43/348196043.db2.gz XXWKYLXDVMIUFX-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CCSC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000595102071 348195847 /nfs/dbraw/zinc/19/58/47/348195847.db2.gz ZPSJNKDQKTYBJD-CYBMUJFWSA-N 1 0 249.423 3.931 20 0 BHADRO CCSC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000595102072 348196090 /nfs/dbraw/zinc/19/60/90/348196090.db2.gz ZPSJNKDQKTYBJD-ZDUSSCGKSA-N 1 0 249.423 3.931 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CC2CC=CC2)C1 ZINC000595330950 348228073 /nfs/dbraw/zinc/22/80/73/348228073.db2.gz RXSVIMXMONLDQB-KBPBESRZSA-N 1 0 239.428 3.559 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC2CC=CC2)C1 ZINC000595330951 348227927 /nfs/dbraw/zinc/22/79/27/348227927.db2.gz RXSVIMXMONLDQB-KGLIPLIRSA-N 1 0 239.428 3.559 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC2CC=CC2)C1 ZINC000595330952 348227933 /nfs/dbraw/zinc/22/79/33/348227933.db2.gz RXSVIMXMONLDQB-UONOGXRCSA-N 1 0 239.428 3.559 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC2CC=CC2)C1 ZINC000595330953 348228423 /nfs/dbraw/zinc/22/84/23/348228423.db2.gz RXSVIMXMONLDQB-ZIAGYGMSSA-N 1 0 239.428 3.559 20 0 BHADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000595450667 348253570 /nfs/dbraw/zinc/25/35/70/348253570.db2.gz UXFBMKJHIQCPIO-KBPBESRZSA-N 1 0 239.428 3.607 20 0 BHADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000595450670 348253480 /nfs/dbraw/zinc/25/34/80/348253480.db2.gz UXFBMKJHIQCPIO-KGLIPLIRSA-N 1 0 239.428 3.607 20 0 BHADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000595450671 348253290 /nfs/dbraw/zinc/25/32/90/348253290.db2.gz UXFBMKJHIQCPIO-UONOGXRCSA-N 1 0 239.428 3.607 20 0 BHADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000595450673 348253230 /nfs/dbraw/zinc/25/32/30/348253230.db2.gz UXFBMKJHIQCPIO-ZIAGYGMSSA-N 1 0 239.428 3.607 20 0 BHADRO CCS[C@@H]1CCC[C@H]1[NH2+]CCC=C(C)C ZINC000595485929 348260831 /nfs/dbraw/zinc/26/08/31/348260831.db2.gz ZKZCIRDLMRGPSZ-CHWSQXEVSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@H]1CCC[C@H]1[NH2+]CCC=C(C)C ZINC000595485930 348260618 /nfs/dbraw/zinc/26/06/18/348260618.db2.gz ZKZCIRDLMRGPSZ-OLZOCXBDSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC=C(C)C ZINC000595485931 348260636 /nfs/dbraw/zinc/26/06/36/348260636.db2.gz ZKZCIRDLMRGPSZ-QWHCGFSZSA-N 1 0 227.417 3.607 20 0 BHADRO CCS[C@H]1CCC[C@@H]1[NH2+]CCC=C(C)C ZINC000595485932 348261296 /nfs/dbraw/zinc/26/12/96/348261296.db2.gz ZKZCIRDLMRGPSZ-STQMWFEESA-N 1 0 227.417 3.607 20 0 BHADRO CSC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000595512417 348266634 /nfs/dbraw/zinc/26/66/34/348266634.db2.gz USLSVKPNHOSQED-AWEZNQCLSA-N 1 0 241.444 3.642 20 0 BHADRO CSC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000595512419 348266398 /nfs/dbraw/zinc/26/63/98/348266398.db2.gz USLSVKPNHOSQED-CQSZACIVSA-N 1 0 241.444 3.642 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1C=CCCC1 ZINC000595544492 348277767 /nfs/dbraw/zinc/27/77/67/348277767.db2.gz ODMVJXBKIHUVJU-AWEZNQCLSA-N 1 0 235.758 3.881 20 0 BHADRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1C=CCCC1 ZINC000595544493 348277805 /nfs/dbraw/zinc/27/78/05/348277805.db2.gz ODMVJXBKIHUVJU-CQSZACIVSA-N 1 0 235.758 3.881 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2C=CCCC2)cc1 ZINC000595544515 348277802 /nfs/dbraw/zinc/27/78/02/348277802.db2.gz SBGCGNMBWOBUBM-HNNXBMFYSA-N 1 0 215.340 3.536 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000595544527 348277603 /nfs/dbraw/zinc/27/76/03/348277603.db2.gz SBGCGNMBWOBUBM-OAHLLOKOSA-N 1 0 215.340 3.536 20 0 BHADRO C[N@H+]([C@H]1C=CCCC1)C1CCCCCC1 ZINC000595550237 348268638 /nfs/dbraw/zinc/26/86/38/348268638.db2.gz SNIXFMFZLADNOD-AWEZNQCLSA-N 1 0 207.361 3.750 20 0 BHADRO C[N@H+]([C@@H]1C=CCCC1)C1CCCCCC1 ZINC000595550238 348268305 /nfs/dbraw/zinc/26/83/05/348268305.db2.gz SNIXFMFZLADNOD-CQSZACIVSA-N 1 0 207.361 3.750 20 0 BHADRO Fc1ccccc1C[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000595550271 348268611 /nfs/dbraw/zinc/26/86/11/348268611.db2.gz YTHKDCYUTYHBDX-AWEZNQCLSA-N 1 0 245.341 3.899 20 0 BHADRO Fc1ccccc1C[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000595550285 348268721 /nfs/dbraw/zinc/26/87/21/348268721.db2.gz YTHKDCYUTYHBDX-CQSZACIVSA-N 1 0 245.341 3.899 20 0 BHADRO CC[N@H+](C1CCCCC1)[C@@H]1C=CCCC1 ZINC000595553375 348269281 /nfs/dbraw/zinc/26/92/81/348269281.db2.gz QDGXHSZFQCGXJL-CYBMUJFWSA-N 1 0 207.361 3.750 20 0 BHADRO CC[N@H+](C1CCCCC1)[C@H]1C=CCCC1 ZINC000595553376 348269346 /nfs/dbraw/zinc/26/93/46/348269346.db2.gz QDGXHSZFQCGXJL-ZDUSSCGKSA-N 1 0 207.361 3.750 20 0 BHADRO c1ccc(C[C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000595553409 348269318 /nfs/dbraw/zinc/26/93/18/348269318.db2.gz VWFTVWSIOKRCHX-DLBZAZTESA-N 1 0 241.378 3.802 20 0 BHADRO c1ccc(C[C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000595553410 348269437 /nfs/dbraw/zinc/26/94/37/348269437.db2.gz VWFTVWSIOKRCHX-IAGOWNOFSA-N 1 0 241.378 3.802 20 0 BHADRO c1ccc(C[C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000595553411 348269416 /nfs/dbraw/zinc/26/94/16/348269416.db2.gz VWFTVWSIOKRCHX-IRXDYDNUSA-N 1 0 241.378 3.802 20 0 BHADRO c1ccc(C[C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000595553412 348269286 /nfs/dbraw/zinc/26/92/86/348269286.db2.gz VWFTVWSIOKRCHX-SJORKVTESA-N 1 0 241.378 3.802 20 0 BHADRO CCCCC[N@H+](C(C)C)[C@H]1C=CCCC1 ZINC000595555276 348269556 /nfs/dbraw/zinc/26/95/56/348269556.db2.gz ANZJVMRMNGFUJX-AWEZNQCLSA-N 1 0 209.377 3.996 20 0 BHADRO CCCCC[N@H+](C(C)C)[C@@H]1C=CCCC1 ZINC000595555281 348269505 /nfs/dbraw/zinc/26/95/05/348269505.db2.gz ANZJVMRMNGFUJX-CQSZACIVSA-N 1 0 209.377 3.996 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)[C@H]2C=CCCC2)C1 ZINC000595555339 348269256 /nfs/dbraw/zinc/26/92/56/348269256.db2.gz RTXVVLIPSLWHBK-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)[C@@H]2C=CCCC2)C1 ZINC000595555340 348269523 /nfs/dbraw/zinc/26/95/23/348269523.db2.gz RTXVVLIPSLWHBK-MCIONIFRSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)[C@@H]2C=CCCC2)C1 ZINC000595555341 348269133 /nfs/dbraw/zinc/26/91/33/348269133.db2.gz RTXVVLIPSLWHBK-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)[C@H]2C=CCCC2)C1 ZINC000595555342 348269085 /nfs/dbraw/zinc/26/90/85/348269085.db2.gz RTXVVLIPSLWHBK-RDBSUJKOSA-N 1 0 207.361 3.606 20 0 BHADRO Fc1cccc(C[N@H+](C2CC2)[C@H]2C=CCCC2)c1 ZINC000595556446 348277639 /nfs/dbraw/zinc/27/76/39/348277639.db2.gz BHAXRHONOJSIEO-HNNXBMFYSA-N 1 0 245.341 3.899 20 0 BHADRO Fc1cccc(C[N@H+](C2CC2)[C@@H]2C=CCCC2)c1 ZINC000595556448 348277770 /nfs/dbraw/zinc/27/77/70/348277770.db2.gz BHAXRHONOJSIEO-OAHLLOKOSA-N 1 0 245.341 3.899 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@H]2C=CCCC2)c1 ZINC000595556527 348269261 /nfs/dbraw/zinc/26/92/61/348269261.db2.gz FIPGRNZXPLKEMC-HNNXBMFYSA-N 1 0 215.340 3.536 20 0 BHADRO Cc1cccc(C[N@@H+](C)[C@@H]2C=CCCC2)c1 ZINC000595556528 348269323 /nfs/dbraw/zinc/26/93/23/348269323.db2.gz FIPGRNZXPLKEMC-OAHLLOKOSA-N 1 0 215.340 3.536 20 0 BHADRO CCC(CC)[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000595556641 348279439 /nfs/dbraw/zinc/27/94/39/348279439.db2.gz NMAVCFZOCLPLBL-CYBMUJFWSA-N 1 0 207.361 3.748 20 0 BHADRO CCC(CC)[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000595556642 348279521 /nfs/dbraw/zinc/27/95/21/348279521.db2.gz NMAVCFZOCLPLBL-ZDUSSCGKSA-N 1 0 207.361 3.748 20 0 BHADRO C1=C[C@@H]([N@H+]2CCC[C@H]2C2CCCC2)CCC1 ZINC000595556969 348279737 /nfs/dbraw/zinc/27/97/37/348279737.db2.gz RCXJELORTUOOAH-CABCVRRESA-N 1 0 219.372 3.750 20 0 BHADRO C1=C[C@H]([N@H+]2CCC[C@H]2C2CCCC2)CCC1 ZINC000595556970 348279560 /nfs/dbraw/zinc/27/95/60/348279560.db2.gz RCXJELORTUOOAH-GJZGRUSLSA-N 1 0 219.372 3.750 20 0 BHADRO C1=C[C@@H]([N@H+]2CCC[C@@H]2C2CCCC2)CCC1 ZINC000595556971 348279235 /nfs/dbraw/zinc/27/92/35/348279235.db2.gz RCXJELORTUOOAH-HUUCEWRRSA-N 1 0 219.372 3.750 20 0 BHADRO C1=C[C@H]([N@H+]2CCC[C@@H]2C2CCCC2)CCC1 ZINC000595556972 348279262 /nfs/dbraw/zinc/27/92/62/348279262.db2.gz RCXJELORTUOOAH-LSDHHAIUSA-N 1 0 219.372 3.750 20 0 BHADRO Oc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000595556990 348279478 /nfs/dbraw/zinc/27/94/78/348279478.db2.gz SWMSUFUSNCFFIB-GDBMZVCRSA-N 1 0 243.350 3.638 20 0 BHADRO Oc1ccc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000595556991 348279180 /nfs/dbraw/zinc/27/91/80/348279180.db2.gz SWMSUFUSNCFFIB-GOEBONIOSA-N 1 0 243.350 3.638 20 0 BHADRO Oc1ccc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000595556992 348279419 /nfs/dbraw/zinc/27/94/19/348279419.db2.gz SWMSUFUSNCFFIB-HOCLYGCPSA-N 1 0 243.350 3.638 20 0 BHADRO Oc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000595556993 348279578 /nfs/dbraw/zinc/27/95/78/348279578.db2.gz SWMSUFUSNCFFIB-ZBFHGGJFSA-N 1 0 243.350 3.638 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000595558095 348280495 /nfs/dbraw/zinc/28/04/95/348280495.db2.gz WSGHARPCISKVPD-KBPBESRZSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000595558096 348280322 /nfs/dbraw/zinc/28/03/22/348280322.db2.gz WSGHARPCISKVPD-KGLIPLIRSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000595558097 348280388 /nfs/dbraw/zinc/28/03/88/348280388.db2.gz WSGHARPCISKVPD-UONOGXRCSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000595558098 348280035 /nfs/dbraw/zinc/28/00/35/348280035.db2.gz WSGHARPCISKVPD-ZIAGYGMSSA-N 1 0 207.361 3.606 20 0 BHADRO C1=C[C@@H]([N@H+](C2CC2)C2CCCCC2)CCC1 ZINC000595563704 348281755 /nfs/dbraw/zinc/28/17/55/348281755.db2.gz GGKFBFRJQSPCOK-CYBMUJFWSA-N 1 0 219.372 3.892 20 0 BHADRO C1=C[C@H]([N@H+](C2CC2)C2CCCCC2)CCC1 ZINC000595563705 348281735 /nfs/dbraw/zinc/28/17/35/348281735.db2.gz GGKFBFRJQSPCOK-ZDUSSCGKSA-N 1 0 219.372 3.892 20 0 BHADRO CC[N@H+](CCc1ccccc1)[C@H]1C=CCCC1 ZINC000595563762 348281710 /nfs/dbraw/zinc/28/17/10/348281710.db2.gz RVHLKWDUCXNQKB-INIZCTEOSA-N 1 0 229.367 3.660 20 0 BHADRO CC[N@H+](CCc1ccccc1)[C@@H]1C=CCCC1 ZINC000595563763 348282432 /nfs/dbraw/zinc/28/24/32/348282432.db2.gz RVHLKWDUCXNQKB-MRXNPFEDSA-N 1 0 229.367 3.660 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)[C@H]1C=CCCC1 ZINC000595563764 348281730 /nfs/dbraw/zinc/28/17/30/348281730.db2.gz RZFZPBDCGKYSRJ-HNNXBMFYSA-N 1 0 245.366 3.626 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1C=CCCC1 ZINC000595563765 348281951 /nfs/dbraw/zinc/28/19/51/348281951.db2.gz RZFZPBDCGKYSRJ-OAHLLOKOSA-N 1 0 245.366 3.626 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)[C@@H]2C=CCCC2)o1 ZINC000595563778 348281959 /nfs/dbraw/zinc/28/19/59/348281959.db2.gz WBBKXBSGGLYSPZ-CYBMUJFWSA-N 1 0 231.339 3.661 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)[C@H]2C=CCCC2)o1 ZINC000595563779 348282320 /nfs/dbraw/zinc/28/23/20/348282320.db2.gz WBBKXBSGGLYSPZ-ZDUSSCGKSA-N 1 0 231.339 3.661 20 0 BHADRO c1cc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cs1 ZINC000595563796 348281917 /nfs/dbraw/zinc/28/19/17/348281917.db2.gz ZWNZTZLNUKVIKN-KGLIPLIRSA-N 1 0 233.380 3.994 20 0 BHADRO c1cc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)cs1 ZINC000595563797 348282027 /nfs/dbraw/zinc/28/20/27/348282027.db2.gz ZWNZTZLNUKVIKN-ZIAGYGMSSA-N 1 0 233.380 3.994 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)[C@H]1C=CCCC1 ZINC000595564328 348282042 /nfs/dbraw/zinc/28/20/42/348282042.db2.gz RLFGUWRYPPBSBY-INIZCTEOSA-N 1 0 229.367 3.926 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1C=CCCC1 ZINC000595564329 348282020 /nfs/dbraw/zinc/28/20/20/348282020.db2.gz RLFGUWRYPPBSBY-MRXNPFEDSA-N 1 0 229.367 3.926 20 0 BHADRO Fc1ccc(C2([NH2+][C@H]3C=CCCC3)CCC2)cc1 ZINC000595564733 348283102 /nfs/dbraw/zinc/28/31/02/348283102.db2.gz AWKAZRIGTIRUOA-HNNXBMFYSA-N 1 0 245.341 3.903 20 0 BHADRO Fc1ccc(C2([NH2+][C@@H]3C=CCCC3)CCC2)cc1 ZINC000595564734 348282759 /nfs/dbraw/zinc/28/27/59/348282759.db2.gz AWKAZRIGTIRUOA-OAHLLOKOSA-N 1 0 245.341 3.903 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H]1C=CCCC1)c1ccccc1 ZINC000595564755 348283278 /nfs/dbraw/zinc/28/32/78/348283278.db2.gz DTVHPLALUMUDKN-GDBMZVCRSA-N 1 0 229.367 3.831 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H]1C=CCCC1)c1ccccc1 ZINC000595564757 348282789 /nfs/dbraw/zinc/28/27/89/348282789.db2.gz DTVHPLALUMUDKN-GOEBONIOSA-N 1 0 229.367 3.831 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H]1C=CCCC1)c1ccccc1 ZINC000595564758 348282951 /nfs/dbraw/zinc/28/29/51/348282951.db2.gz DTVHPLALUMUDKN-HOCLYGCPSA-N 1 0 229.367 3.831 20 0 BHADRO C[C@H](C[N@H+](C)[C@H]1C=CCCC1)c1ccccc1 ZINC000595564759 348283109 /nfs/dbraw/zinc/28/31/09/348283109.db2.gz DTVHPLALUMUDKN-ZBFHGGJFSA-N 1 0 229.367 3.831 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000595564766 348283188 /nfs/dbraw/zinc/28/31/88/348283188.db2.gz GUTZONCUNFNPPS-CVEARBPZSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000595564768 348282622 /nfs/dbraw/zinc/28/26/22/348282622.db2.gz GUTZONCUNFNPPS-HOTGVXAUSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000595564770 348283308 /nfs/dbraw/zinc/28/33/08/348283308.db2.gz GUTZONCUNFNPPS-HZPDHXFCSA-N 1 0 241.378 3.893 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000595564771 348282941 /nfs/dbraw/zinc/28/29/41/348282941.db2.gz GUTZONCUNFNPPS-JKSUJKDBSA-N 1 0 241.378 3.893 20 0 BHADRO CCC1(C)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000595564930 348282753 /nfs/dbraw/zinc/28/27/53/348282753.db2.gz URWUQSAOVPZGIM-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CCC1(C)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000595564931 348282667 /nfs/dbraw/zinc/28/26/67/348282667.db2.gz URWUQSAOVPZGIM-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO COc1ccc(C)cc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000595571718 348285126 /nfs/dbraw/zinc/28/51/26/348285126.db2.gz RGINBBXXDCDMGG-KBPBESRZSA-N 1 0 247.382 3.767 20 0 BHADRO COc1ccc(C)cc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000595571719 348285103 /nfs/dbraw/zinc/28/51/03/348285103.db2.gz RGINBBXXDCDMGG-ZIAGYGMSSA-N 1 0 247.382 3.767 20 0 BHADRO COc1ccc(C[N@H+](C)[C@H]2C=CCCC2)cc1C ZINC000595572166 490162226 /nfs/dbraw/zinc/16/22/26/490162226.db2.gz UZIXHNJTYHGNNY-HNNXBMFYSA-N 1 0 245.366 3.544 20 0 BHADRO COc1ccc(C[N@H+](C)[C@@H]2C=CCCC2)cc1C ZINC000595572167 490162326 /nfs/dbraw/zinc/16/23/26/490162326.db2.gz UZIXHNJTYHGNNY-OAHLLOKOSA-N 1 0 245.366 3.544 20 0 BHADRO CSCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000595600850 348295904 /nfs/dbraw/zinc/29/59/04/348295904.db2.gz KPXJQDIVONFPQS-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO CCc1ccc(C[NH2+]CCc2ccc(C)o2)s1 ZINC000595624303 397993126 /nfs/dbraw/zinc/99/31/26/397993126.db2.gz YEPHSWDEUSBFCS-UHFFFAOYSA-N 1 0 249.379 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1C/C=C/c1ccccc1 ZINC000595716554 348326478 /nfs/dbraw/zinc/32/64/78/348326478.db2.gz RXFRIYRYYAKGFV-UZKRYLTISA-N 1 0 229.367 3.963 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1C/C=C\c1ccccc1 ZINC000595716574 348326710 /nfs/dbraw/zinc/32/67/10/348326710.db2.gz RXFRIYRYYAKGFV-UZSWLCPZSA-N 1 0 229.367 3.963 20 0 BHADRO CC(C)SCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595818782 348359666 /nfs/dbraw/zinc/35/96/66/348359666.db2.gz JGMLDZFGOYODRI-HIFPTAJRSA-N 1 0 247.423 3.634 20 0 BHADRO CC(C)SCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595818783 348359428 /nfs/dbraw/zinc/35/94/28/348359428.db2.gz JGMLDZFGOYODRI-PNESKVBLSA-N 1 0 247.423 3.634 20 0 BHADRO CC12CC(C1)C[N@@H+]2CCSC1CCCCC1 ZINC000595920801 348401660 /nfs/dbraw/zinc/40/16/60/348401660.db2.gz WSGJWGKGZKVDNC-UHFFFAOYSA-N 1 0 239.428 3.537 20 0 BHADRO CCSCC[C@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000596145036 348450888 /nfs/dbraw/zinc/45/08/88/348450888.db2.gz PEYITXIEODQAEJ-JTQLQIEISA-N 1 0 249.383 3.507 20 0 BHADRO CCSCC[C@@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000596145037 348450939 /nfs/dbraw/zinc/45/09/39/348450939.db2.gz PEYITXIEODQAEJ-SNVBAGLBSA-N 1 0 249.383 3.507 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000596222406 348470144 /nfs/dbraw/zinc/47/01/44/348470144.db2.gz CZWCICRDCZUSBC-AWEZNQCLSA-N 1 0 249.398 3.748 20 0 BHADRO CCCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000596222407 348470225 /nfs/dbraw/zinc/47/02/25/348470225.db2.gz CZWCICRDCZUSBC-CQSZACIVSA-N 1 0 249.398 3.748 20 0 BHADRO CC(C)Oc1ccc(CC[NH2+]CC(C)(C)C)cc1 ZINC000596631768 348597505 /nfs/dbraw/zinc/59/75/05/348597505.db2.gz IGHUISKNZABFHQ-UHFFFAOYSA-N 1 0 249.398 3.652 20 0 BHADRO CC(C)OCc1ccccc1C[NH2+]CC(C)(C)C ZINC000596648154 348604413 /nfs/dbraw/zinc/60/44/13/348604413.db2.gz YISXHPWGJXXPRN-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC000596664171 348601123 /nfs/dbraw/zinc/60/11/23/348601123.db2.gz QMFRXUBKENQGQH-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC000596664172 348601180 /nfs/dbraw/zinc/60/11/80/348601180.db2.gz QMFRXUBKENQGQH-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000596664173 348601115 /nfs/dbraw/zinc/60/11/15/348601115.db2.gz QMFRXUBKENQGQH-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000596664174 348601138 /nfs/dbraw/zinc/60/11/38/348601138.db2.gz QMFRXUBKENQGQH-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO c1cncc([C@@H]([NH2+]CC2CC2)C2CCCCC2)c1 ZINC000596670774 348602192 /nfs/dbraw/zinc/60/21/92/348602192.db2.gz AZVZUIVYHZBXNI-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cncc([C@H]([NH2+]CC2CC2)C2CCCCC2)c1 ZINC000596670777 348601760 /nfs/dbraw/zinc/60/17/60/348601760.db2.gz AZVZUIVYHZBXNI-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CS[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C ZINC000597084073 348655419 /nfs/dbraw/zinc/65/54/19/348655419.db2.gz YNMSOJJVQBHVEH-MROQNXINSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C ZINC000597084082 348655304 /nfs/dbraw/zinc/65/53/04/348655304.db2.gz YNMSOJJVQBHVEH-VOAKCMCISA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C ZINC000597084083 348655448 /nfs/dbraw/zinc/65/54/48/348655448.db2.gz YNMSOJJVQBHVEH-XQHKEYJVSA-N 1 0 241.444 3.542 20 0 BHADRO CS[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C ZINC000597084084 348655225 /nfs/dbraw/zinc/65/52/25/348655225.db2.gz YNMSOJJVQBHVEH-YVECIDJPSA-N 1 0 241.444 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CSCCF)C1CCC1 ZINC000597151132 348665568 /nfs/dbraw/zinc/66/55/68/348665568.db2.gz IUUUHUKJKPLXNA-AAEUAGOBSA-N 1 0 247.423 3.636 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CSCCF)C1CCC1 ZINC000597151134 348665291 /nfs/dbraw/zinc/66/52/91/348665291.db2.gz IUUUHUKJKPLXNA-DGCLKSJQSA-N 1 0 247.423 3.636 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CSCCF)C1CCC1 ZINC000597151135 348665277 /nfs/dbraw/zinc/66/52/77/348665277.db2.gz IUUUHUKJKPLXNA-WCQYABFASA-N 1 0 247.423 3.636 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CSCCF)C1CCC1 ZINC000597151136 348665424 /nfs/dbraw/zinc/66/54/24/348665424.db2.gz IUUUHUKJKPLXNA-YPMHNXCESA-N 1 0 247.423 3.636 20 0 BHADRO CSCC1(CC[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000597186389 348683966 /nfs/dbraw/zinc/68/39/66/348683966.db2.gz IBGBRKCLVCWYJM-GFCCVEGCSA-N 1 0 243.460 3.792 20 0 BHADRO CSCC1(CC[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000597186406 348683688 /nfs/dbraw/zinc/68/36/88/348683688.db2.gz IBGBRKCLVCWYJM-LBPRGKRZSA-N 1 0 243.460 3.792 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000597186800 348683864 /nfs/dbraw/zinc/68/38/64/348683864.db2.gz LNEKZXGYLZWJHD-CYBMUJFWSA-N 1 0 239.428 3.608 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000597186802 348683680 /nfs/dbraw/zinc/68/36/80/348683680.db2.gz LNEKZXGYLZWJHD-ZDUSSCGKSA-N 1 0 239.428 3.608 20 0 BHADRO CSCC1(CC[NH2+]CCC(C)(C)C)CC1 ZINC000597187562 348684541 /nfs/dbraw/zinc/68/45/41/348684541.db2.gz QTRIGJSEZKLTEB-UHFFFAOYSA-N 1 0 229.433 3.546 20 0 BHADRO CS[C@H]1CC[C@H]1Nc1[nH+]ccc(C)c1C1CC1 ZINC000597192409 348670893 /nfs/dbraw/zinc/67/08/93/348670893.db2.gz QWUBIFZBPWTUPV-NEPJUHHUSA-N 1 0 248.395 3.573 20 0 BHADRO CS[C@@H]1CC[C@@H]1Nc1[nH+]ccc(C)c1C1CC1 ZINC000597192412 348670904 /nfs/dbraw/zinc/67/09/04/348670904.db2.gz QWUBIFZBPWTUPV-NWDGAFQWSA-N 1 0 248.395 3.573 20 0 BHADRO CS[C@H]1CC[C@@H]1Nc1[nH+]ccc(C)c1C1CC1 ZINC000597192414 348671005 /nfs/dbraw/zinc/67/10/05/348671005.db2.gz QWUBIFZBPWTUPV-RYUDHWBXSA-N 1 0 248.395 3.573 20 0 BHADRO CS[C@@H]1CC[C@H]1Nc1[nH+]ccc(C)c1C1CC1 ZINC000597192415 348670769 /nfs/dbraw/zinc/67/07/69/348670769.db2.gz QWUBIFZBPWTUPV-VXGBXAGGSA-N 1 0 248.395 3.573 20 0 BHADRO CCSCC[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000597210161 348679870 /nfs/dbraw/zinc/67/98/70/348679870.db2.gz OCMAKXILVXMGII-UHFFFAOYSA-N 1 0 249.379 3.584 20 0 BHADRO CCSC1(C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000597223396 348693883 /nfs/dbraw/zinc/69/38/83/348693883.db2.gz NENFNAGBFDSJRC-CYBMUJFWSA-N 1 0 249.423 3.665 20 0 BHADRO CCSC1(C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000597223397 348693717 /nfs/dbraw/zinc/69/37/17/348693717.db2.gz NENFNAGBFDSJRC-ZDUSSCGKSA-N 1 0 249.423 3.665 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)CSC)s1 ZINC000598635961 349014283 /nfs/dbraw/zinc/01/42/83/349014283.db2.gz ATABLEGMEFSJPE-JTQLQIEISA-N 1 0 243.441 3.542 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)CSC)s1 ZINC000598635965 349014104 /nfs/dbraw/zinc/01/41/04/349014104.db2.gz ATABLEGMEFSJPE-SNVBAGLBSA-N 1 0 243.441 3.542 20 0 BHADRO CCCc1ccc(C[NH2+]CCCSC)s1 ZINC000598638662 349007698 /nfs/dbraw/zinc/00/76/98/349007698.db2.gz WCPKCWVIAWTPEC-UHFFFAOYSA-N 1 0 243.441 3.543 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@H](C)SC)s1 ZINC000598641445 349008129 /nfs/dbraw/zinc/00/81/29/349008129.db2.gz HXWCWCGYPIXMEN-JTQLQIEISA-N 1 0 243.441 3.542 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@@H](C)SC)s1 ZINC000598641545 349008154 /nfs/dbraw/zinc/00/81/54/349008154.db2.gz HXWCWCGYPIXMEN-SNVBAGLBSA-N 1 0 243.441 3.542 20 0 BHADRO CSCC1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000598676743 349020266 /nfs/dbraw/zinc/02/02/66/349020266.db2.gz KAQVTTLLDMIARA-UHFFFAOYSA-N 1 0 241.444 3.544 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598964915 349068641 /nfs/dbraw/zinc/06/86/41/349068641.db2.gz IANQTYHZUYKXSC-IMIFBBOLSA-N 1 0 241.444 3.542 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598964922 349068799 /nfs/dbraw/zinc/06/87/99/349068799.db2.gz IANQTYHZUYKXSC-RFHZTLPTSA-N 1 0 241.444 3.542 20 0 BHADRO CCSCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598964924 349068730 /nfs/dbraw/zinc/06/87/30/349068730.db2.gz IANQTYHZUYKXSC-XCCSTKFXSA-N 1 0 241.444 3.542 20 0 BHADRO CCSCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598964926 349068614 /nfs/dbraw/zinc/06/86/14/349068614.db2.gz IANQTYHZUYKXSC-XWUBHJNHSA-N 1 0 241.444 3.542 20 0 BHADRO CSCCCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598977338 349070280 /nfs/dbraw/zinc/07/02/80/349070280.db2.gz VQDYQQZSEKYWBV-UBHSHLNASA-N 1 0 241.444 3.544 20 0 BHADRO CSCCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598977339 349070018 /nfs/dbraw/zinc/07/00/18/349070018.db2.gz VQDYQQZSEKYWBV-XBFCOCLRSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1C[C@H](C)CN(c2cc[nH+]c3ccccc32)C1 ZINC000599435106 349174848 /nfs/dbraw/zinc/17/48/48/349174848.db2.gz BKYGQSUNOGGUNZ-BETUJISGSA-N 1 0 240.350 3.717 20 0 BHADRO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]c3ccccc32)C1 ZINC000599435107 349174878 /nfs/dbraw/zinc/17/48/78/349174878.db2.gz BKYGQSUNOGGUNZ-CHWSQXEVSA-N 1 0 240.350 3.717 20 0 BHADRO C[C@H]1C[C@H](C)CN(c2cc[nH+]c3ccccc32)C1 ZINC000599435108 349175018 /nfs/dbraw/zinc/17/50/18/349175018.db2.gz BKYGQSUNOGGUNZ-STQMWFEESA-N 1 0 240.350 3.717 20 0 BHADRO CC[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000599494114 349200203 /nfs/dbraw/zinc/20/02/03/349200203.db2.gz ISXPVLFKYDEPMF-CYBMUJFWSA-N 1 0 240.350 3.861 20 0 BHADRO CC[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000599494115 349199837 /nfs/dbraw/zinc/19/98/37/349199837.db2.gz ISXPVLFKYDEPMF-ZDUSSCGKSA-N 1 0 240.350 3.861 20 0 BHADRO CC(C)CCN(C)c1cc[nH+]c2ccccc21 ZINC000599533850 349211051 /nfs/dbraw/zinc/21/10/51/349211051.db2.gz OCBXJILDWSKCFZ-UHFFFAOYSA-N 1 0 228.339 3.717 20 0 BHADRO CCC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000599534176 349210949 /nfs/dbraw/zinc/21/09/49/349210949.db2.gz UACJVKTXSAAIES-UHFFFAOYSA-N 1 0 240.350 3.861 20 0 BHADRO CN(CC(C)(C)C)c1cc[nH+]c2ccccc21 ZINC000599848321 349263731 /nfs/dbraw/zinc/26/37/31/349263731.db2.gz ZROLANBDTGPSLI-UHFFFAOYSA-N 1 0 228.339 3.717 20 0 BHADRO CC[C@@H](C)CN(C)c1cc[nH+]c2ccccc21 ZINC000599937987 398045666 /nfs/dbraw/zinc/04/56/66/398045666.db2.gz VREGNFAGVNQRRT-GFCCVEGCSA-N 1 0 228.339 3.717 20 0 BHADRO CC[C@H](C)CN(C)c1cc[nH+]c2ccccc21 ZINC000599937988 398045684 /nfs/dbraw/zinc/04/56/84/398045684.db2.gz VREGNFAGVNQRRT-LBPRGKRZSA-N 1 0 228.339 3.717 20 0 BHADRO CS[C@@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000600162745 342693573 /nfs/dbraw/zinc/69/35/73/342693573.db2.gz WNBZVEXZKGQDTP-DZGCQCFKSA-N 1 0 249.423 3.536 20 0 BHADRO CS[C@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000600162746 342693652 /nfs/dbraw/zinc/69/36/52/342693652.db2.gz WNBZVEXZKGQDTP-HIFRSBDPSA-N 1 0 249.423 3.536 20 0 BHADRO CS[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000600162747 342693578 /nfs/dbraw/zinc/69/35/78/342693578.db2.gz WNBZVEXZKGQDTP-UKRRQHHQSA-N 1 0 249.423 3.536 20 0 BHADRO CS[C@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000600162748 342693556 /nfs/dbraw/zinc/69/35/56/342693556.db2.gz WNBZVEXZKGQDTP-ZFWWWQNUSA-N 1 0 249.423 3.536 20 0 BHADRO CSC1(C[NH2+]CC[C@@H]2CC=CCC2)CCC1 ZINC000600201420 342699082 /nfs/dbraw/zinc/69/90/82/342699082.db2.gz KYOSIBSAZKODKZ-CYBMUJFWSA-N 1 0 239.428 3.608 20 0 BHADRO CSC1(C[NH2+]CC[C@H]2CC=CCC2)CCC1 ZINC000600201421 342699074 /nfs/dbraw/zinc/69/90/74/342699074.db2.gz KYOSIBSAZKODKZ-ZDUSSCGKSA-N 1 0 239.428 3.608 20 0 BHADRO CSC1(C[N@@H+]2CCCC3(CC3)CC2)CCC1 ZINC000600215392 342702501 /nfs/dbraw/zinc/70/25/01/342702501.db2.gz JEQJNNMSPIZDME-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO Cc1cc2ncn(CSC(C)C)c2cc1C ZINC000600535441 344259779 /nfs/dbraw/zinc/25/97/79/344259779.db2.gz ZYZXJGQLAWTIOY-UHFFFAOYSA-N 1 0 234.368 3.752 20 0 BHADRO 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/nfs/dbraw/zinc/80/97/72/349809772.db2.gz FLGNRZHBAPPKSD-OAHLLOKOSA-N 1 0 247.407 3.501 20 0 BHADRO CSC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000602920983 349811087 /nfs/dbraw/zinc/81/10/87/349811087.db2.gz SRNDCBJEIMQCDV-CYBMUJFWSA-N 1 0 249.423 3.883 20 0 BHADRO CSC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000602920985 349811079 /nfs/dbraw/zinc/81/10/79/349811079.db2.gz SRNDCBJEIMQCDV-ZDUSSCGKSA-N 1 0 249.423 3.883 20 0 BHADRO CSC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000602921230 349810798 /nfs/dbraw/zinc/81/07/98/349810798.db2.gz VDCSGALYIJFEST-CYBMUJFWSA-N 1 0 249.423 3.883 20 0 BHADRO CSC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000602921231 349810998 /nfs/dbraw/zinc/81/09/98/349810998.db2.gz VDCSGALYIJFEST-ZDUSSCGKSA-N 1 0 249.423 3.883 20 0 BHADRO CSC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000602921362 349811180 /nfs/dbraw/zinc/81/11/80/349811180.db2.gz IIKSWRSTVZPHAI-GFCCVEGCSA-N 1 0 235.396 3.575 20 0 BHADRO CSC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602921363 349811024 /nfs/dbraw/zinc/81/10/24/349811024.db2.gz IIKSWRSTVZPHAI-LBPRGKRZSA-N 1 0 235.396 3.575 20 0 BHADRO FC(F)CN1CCCCC[C@@H]1c1ccccc1 ZINC000603409621 349958774 /nfs/dbraw/zinc/95/87/74/349958774.db2.gz BUPHUFUQOITUQP-CYBMUJFWSA-N 1 0 239.309 3.869 20 0 BHADRO FC(F)CN1CCCCC[C@H]1c1ccccc1 ZINC000603409622 349958676 /nfs/dbraw/zinc/95/86/76/349958676.db2.gz BUPHUFUQOITUQP-ZDUSSCGKSA-N 1 0 239.309 3.869 20 0 BHADRO CN(CC(F)F)C1CCC(C(C)(C)C)CC1 ZINC000603409637 349958961 /nfs/dbraw/zinc/95/89/61/349958961.db2.gz FXAFFTCXYGRMFI-UHFFFAOYSA-N 1 0 233.346 3.788 20 0 BHADRO CCC1CCC(N(CC(F)F)C2CC2)CC1 ZINC000603409675 349958684 /nfs/dbraw/zinc/95/86/84/349958684.db2.gz MEVZTICWPFLOIN-UHFFFAOYSA-N 1 0 231.330 3.685 20 0 BHADRO Cc1ccc([C@@H](C)N(C)CC(F)F)c(C)c1 ZINC000603409701 349958900 /nfs/dbraw/zinc/95/89/00/349958900.db2.gz QVJCHSKQJFKSHW-LLVKDONJSA-N 1 0 227.298 3.561 20 0 BHADRO Cc1ccc([C@H](C)N(C)CC(F)F)c(C)c1 ZINC000603409702 349958719 /nfs/dbraw/zinc/95/87/19/349958719.db2.gz QVJCHSKQJFKSHW-NSHDSACASA-N 1 0 227.298 3.561 20 0 BHADRO Cc1ccc([C@H]2CCCN2CC(F)F)cc1C ZINC000603410039 349959686 /nfs/dbraw/zinc/95/96/86/349959686.db2.gz YPRGOWKXIRXRDF-CYBMUJFWSA-N 1 0 239.309 3.705 20 0 BHADRO Cc1ccc([C@@H]2CCCN2CC(F)F)cc1C ZINC000603410040 349959607 /nfs/dbraw/zinc/95/96/07/349959607.db2.gz YPRGOWKXIRXRDF-ZDUSSCGKSA-N 1 0 239.309 3.705 20 0 BHADRO C/C=C/C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000603411244 349960624 /nfs/dbraw/zinc/96/06/24/349960624.db2.gz QYEMVCVXCPYWHN-KZSQQDEKSA-N 1 0 244.382 3.869 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000603411246 349960806 /nfs/dbraw/zinc/96/08/06/349960806.db2.gz QYEMVCVXCPYWHN-RXYHWBRQSA-N 1 0 244.382 3.869 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000603411248 349960664 /nfs/dbraw/zinc/96/06/64/349960664.db2.gz QYEMVCVXCPYWHN-WOMSROEHSA-N 1 0 244.382 3.869 20 0 BHADRO C/C=C\C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000603411249 349960860 /nfs/dbraw/zinc/96/08/60/349960860.db2.gz QYEMVCVXCPYWHN-YPQKKHBXSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)CC[N@H+](CC(F)F)C1CCCC1 ZINC000603412422 349961349 /nfs/dbraw/zinc/96/13/49/349961349.db2.gz FUKIZHVKTNFXBY-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO CCCN(CC(F)F)[C@@H]1CCc2ccccc21 ZINC000603412424 349961513 /nfs/dbraw/zinc/96/15/13/349961513.db2.gz GUZYKYFOTUNFIW-CYBMUJFWSA-N 1 0 239.309 3.651 20 0 BHADRO CCCN(CC(F)F)[C@H]1CCc2ccccc21 ZINC000603412425 349961501 /nfs/dbraw/zinc/96/15/01/349961501.db2.gz GUZYKYFOTUNFIW-ZDUSSCGKSA-N 1 0 239.309 3.651 20 0 BHADRO FC(F)CN(Cc1ccccc1)C1CCCC1 ZINC000603412440 349961535 /nfs/dbraw/zinc/96/15/35/349961535.db2.gz LZABTQNCYCTPJP-UHFFFAOYSA-N 1 0 239.309 3.696 20 0 BHADRO CC[C@H](c1ccccc1)N(CC)CC(F)F ZINC000603412443 349961494 /nfs/dbraw/zinc/96/14/94/349961494.db2.gz NKNPFRIFBJTZGI-GFCCVEGCSA-N 1 0 227.298 3.725 20 0 BHADRO CC[C@@H](c1ccccc1)N(CC)CC(F)F ZINC000603412444 349961246 /nfs/dbraw/zinc/96/12/46/349961246.db2.gz NKNPFRIFBJTZGI-LBPRGKRZSA-N 1 0 227.298 3.725 20 0 BHADRO CCCC[N@H+](CC(F)F)C1CCCCC1 ZINC000603412472 349961283 /nfs/dbraw/zinc/96/12/83/349961283.db2.gz WRQSWDWDRWVNSY-UHFFFAOYSA-N 1 0 219.319 3.686 20 0 BHADRO CCC[C@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000603493143 349982537 /nfs/dbraw/zinc/98/25/37/349982537.db2.gz LPAPVROAKHDEPZ-JTQLQIEISA-N 1 0 232.302 3.974 20 0 BHADRO CCC[C@@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000603493144 349982676 /nfs/dbraw/zinc/98/26/76/349982676.db2.gz LPAPVROAKHDEPZ-SNVBAGLBSA-N 1 0 232.302 3.974 20 0 BHADRO CC(C)CCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000603493360 349982644 /nfs/dbraw/zinc/98/26/44/349982644.db2.gz WRUOVMQJLYEFRX-UHFFFAOYSA-N 1 0 246.329 3.856 20 0 BHADRO C[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C1CC1 ZINC000603493364 349982600 /nfs/dbraw/zinc/98/26/00/349982600.db2.gz YOWAWBXAYNGAGW-JTQLQIEISA-N 1 0 244.313 3.832 20 0 BHADRO C[C@H](CNc1cc[nH+]c2cc(F)ccc12)C1CC1 ZINC000603493365 349982552 /nfs/dbraw/zinc/98/25/52/349982552.db2.gz YOWAWBXAYNGAGW-SNVBAGLBSA-N 1 0 244.313 3.832 20 0 BHADRO CC(C)CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000603498325 349986477 /nfs/dbraw/zinc/98/64/77/349986477.db2.gz VRGKVTMYUVSZBQ-UHFFFAOYSA-N 1 0 239.790 3.860 20 0 BHADRO CC(C)C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000603556898 349992976 /nfs/dbraw/zinc/99/29/76/349992976.db2.gz ITJAEBFYAJPESU-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000603556899 349992955 /nfs/dbraw/zinc/99/29/55/349992955.db2.gz ITJAEBFYAJPESU-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1CC(C)C ZINC000603942501 350057499 /nfs/dbraw/zinc/05/74/99/350057499.db2.gz SWPABWMPKMQFCR-HNNXBMFYSA-N 1 0 217.356 3.652 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1CC(C)C ZINC000603942502 350057986 /nfs/dbraw/zinc/05/79/86/350057986.db2.gz SWPABWMPKMQFCR-OAHLLOKOSA-N 1 0 217.356 3.652 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC000603943901 350057809 /nfs/dbraw/zinc/05/78/09/350057809.db2.gz ZUJMWIYSRAOTSB-CYBMUJFWSA-N 1 0 209.377 3.831 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC000603943902 350057928 /nfs/dbraw/zinc/05/79/28/350057928.db2.gz ZUJMWIYSRAOTSB-ZDUSSCGKSA-N 1 0 209.377 3.831 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)CC1 ZINC000604055186 350075402 /nfs/dbraw/zinc/07/54/02/350075402.db2.gz RZUNIARAFGVXII-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)CC1 ZINC000604055187 350075393 /nfs/dbraw/zinc/07/53/93/350075393.db2.gz RZUNIARAFGVXII-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)CC1 ZINC000604055188 350075360 /nfs/dbraw/zinc/07/53/60/350075360.db2.gz RZUNIARAFGVXII-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)CC1 ZINC000604055189 350075249 /nfs/dbraw/zinc/07/52/49/350075249.db2.gz RZUNIARAFGVXII-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000604055358 350075490 /nfs/dbraw/zinc/07/54/90/350075490.db2.gz ZYGAOPSRZAJSIE-CABCVRRESA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000604055364 350075227 /nfs/dbraw/zinc/07/52/27/350075227.db2.gz ZYGAOPSRZAJSIE-GJZGRUSLSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000604055365 350075428 /nfs/dbraw/zinc/07/54/28/350075428.db2.gz ZYGAOPSRZAJSIE-HUUCEWRRSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000604055367 350075498 /nfs/dbraw/zinc/07/54/98/350075498.db2.gz ZYGAOPSRZAJSIE-LSDHHAIUSA-N 1 0 221.388 3.853 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000604090904 350077932 /nfs/dbraw/zinc/07/79/32/350077932.db2.gz QKTJCFFJOTYBBM-HNNXBMFYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)OCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000604090905 350077818 /nfs/dbraw/zinc/07/78/18/350077818.db2.gz QKTJCFFJOTYBBM-OAHLLOKOSA-N 1 0 241.419 3.560 20 0 BHADRO CCCC[N@H+](C)CCc1ccc(CC)cc1 ZINC000604382950 350121791 /nfs/dbraw/zinc/12/17/91/350121791.db2.gz LAAIPDPLEJOVOR-UHFFFAOYSA-N 1 0 219.372 3.523 20 0 BHADRO CCc1ccc(CC[N@H+](C)CC2CCC2)cc1 ZINC000604383503 350121850 /nfs/dbraw/zinc/12/18/50/350121850.db2.gz IHCINBJCPQEEBO-UHFFFAOYSA-N 1 0 231.383 3.523 20 0 BHADRO CCC[N@H+](CC)CCc1ccc(CC)cc1 ZINC000604383637 350121629 /nfs/dbraw/zinc/12/16/29/350121629.db2.gz AXFVGIACNQTZPG-UHFFFAOYSA-N 1 0 219.372 3.523 20 0 BHADRO C[N@H+](Cc1ccc2c(c1)CCC2)CC(C)(C)C ZINC000604384180 350121596 /nfs/dbraw/zinc/12/15/96/350121596.db2.gz LUESSYQMONQNLV-UHFFFAOYSA-N 1 0 231.383 3.653 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000604384211 350121660 /nfs/dbraw/zinc/12/16/60/350121660.db2.gz XTMIYQTXMCUDSE-UHFFFAOYSA-N 1 0 231.383 3.653 20 0 BHADRO CCc1ccc(CC[N@H+](C)CC(C)(C)C)cc1 ZINC000604384491 350121883 /nfs/dbraw/zinc/12/18/83/350121883.db2.gz SJJQWASDXRJNHX-UHFFFAOYSA-N 1 0 233.399 3.769 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000604384971 350121549 /nfs/dbraw/zinc/12/15/49/350121549.db2.gz CBJHUDKEYVRAHW-CYBMUJFWSA-N 1 0 231.383 3.652 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000604384972 350121887 /nfs/dbraw/zinc/12/18/87/350121887.db2.gz CBJHUDKEYVRAHW-ZDUSSCGKSA-N 1 0 231.383 3.652 20 0 BHADRO CCc1ccc(CC[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000604385156 350121373 /nfs/dbraw/zinc/12/13/73/350121373.db2.gz NRWYZUVLVKNJQP-AWEZNQCLSA-N 1 0 233.399 3.768 20 0 BHADRO CCc1ccc(CC[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000604385157 350121526 /nfs/dbraw/zinc/12/15/26/350121526.db2.gz NRWYZUVLVKNJQP-CQSZACIVSA-N 1 0 233.399 3.768 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2C2CC2)cc2c1CCC2 ZINC000604385681 350121801 /nfs/dbraw/zinc/12/18/01/350121801.db2.gz FZEHBGOZNAGYDW-KRWDZBQOSA-N 1 0 241.378 3.550 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2C2CC2)cc2c1CCC2 ZINC000604385682 350121503 /nfs/dbraw/zinc/12/15/03/350121503.db2.gz FZEHBGOZNAGYDW-QGZVFWFLSA-N 1 0 241.378 3.550 20 0 BHADRO CCc1ccc(CC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000604385693 350122014 /nfs/dbraw/zinc/12/20/14/350122014.db2.gz GJRPIQKAJOFXHB-KRWDZBQOSA-N 1 0 243.394 3.666 20 0 BHADRO CCc1ccc(CC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000604385694 350121543 /nfs/dbraw/zinc/12/15/43/350121543.db2.gz GJRPIQKAJOFXHB-QGZVFWFLSA-N 1 0 243.394 3.666 20 0 BHADRO CCc1ccc(CC[N@H+](C)C2CCCC2)cc1 ZINC000604386156 350121733 /nfs/dbraw/zinc/12/17/33/350121733.db2.gz YPVMPAIIESPZEI-UHFFFAOYSA-N 1 0 231.383 3.666 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000604393812 350119446 /nfs/dbraw/zinc/11/94/46/350119446.db2.gz GDZMKNPOVXLVJY-DJIMGWMZSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000604393813 350119399 /nfs/dbraw/zinc/11/93/99/350119399.db2.gz GDZMKNPOVXLVJY-HYVNUMGLSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@H]1C=CCCC1 ZINC000604393814 350119119 /nfs/dbraw/zinc/11/91/19/350119119.db2.gz GDZMKNPOVXLVJY-OIISXLGYSA-N 1 0 241.378 3.973 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@H]1C=CCCC1 ZINC000604393815 350119789 /nfs/dbraw/zinc/11/97/89/350119789.db2.gz GDZMKNPOVXLVJY-PVAVHDDUSA-N 1 0 241.378 3.973 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604394123 350119407 /nfs/dbraw/zinc/11/94/07/350119407.db2.gz CBKFBSMESHVHGM-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604394124 350119192 /nfs/dbraw/zinc/11/91/92/350119192.db2.gz CBKFBSMESHVHGM-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604394125 350119468 /nfs/dbraw/zinc/11/94/68/350119468.db2.gz CBKFBSMESHVHGM-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604394126 350119640 /nfs/dbraw/zinc/11/96/40/350119640.db2.gz CBKFBSMESHVHGM-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604394654 350119904 /nfs/dbraw/zinc/11/99/04/350119904.db2.gz XRNADSKQQOFONS-GDBMZVCRSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604394656 350120429 /nfs/dbraw/zinc/12/04/29/350120429.db2.gz XRNADSKQQOFONS-GOEBONIOSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604394657 350119955 /nfs/dbraw/zinc/11/99/55/350119955.db2.gz XRNADSKQQOFONS-HOCLYGCPSA-N 1 0 231.383 3.911 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604394658 350120525 /nfs/dbraw/zinc/12/05/25/350120525.db2.gz XRNADSKQQOFONS-ZBFHGGJFSA-N 1 0 231.383 3.911 20 0 BHADRO C(C1CC1)[NH+](CC1CC1)CC1CCCCC1 ZINC000604394970 350120122 /nfs/dbraw/zinc/12/01/22/350120122.db2.gz CLXLREGRJAMVPR-UHFFFAOYSA-N 1 0 221.388 3.689 20 0 BHADRO Cc1cc(C[NH+](CC2CC2)CC2CC2)c(C)s1 ZINC000604395542 350124419 /nfs/dbraw/zinc/12/44/19/350124419.db2.gz XZOODEUYIROMAJ-UHFFFAOYSA-N 1 0 249.423 3.987 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+]CC(C)(C)C ZINC000604416789 350127154 /nfs/dbraw/zinc/12/71/54/350127154.db2.gz GUKFLBUAMQAWQN-UHFFFAOYSA-N 1 0 231.339 3.877 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1N(C)C)C(C)(C)C ZINC000604416866 350126982 /nfs/dbraw/zinc/12/69/82/350126982.db2.gz LAAITGCTRVZIRF-CYBMUJFWSA-N 1 0 248.414 3.524 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1N(C)C)C(C)(C)C ZINC000604416867 350126760 /nfs/dbraw/zinc/12/67/60/350126760.db2.gz LAAITGCTRVZIRF-ZDUSSCGKSA-N 1 0 248.414 3.524 20 0 BHADRO CC[N@H+](CCSC)[C@H](C)c1ccccc1C ZINC000604503328 491091645 /nfs/dbraw/zinc/09/16/45/491091645.db2.gz BWKCYBKFFITIBZ-CYBMUJFWSA-N 1 0 237.412 3.741 20 0 BHADRO CC[N@H+](CCSC)[C@@H](C)c1ccccc1C ZINC000604503329 491091651 /nfs/dbraw/zinc/09/16/51/491091651.db2.gz BWKCYBKFFITIBZ-ZDUSSCGKSA-N 1 0 237.412 3.741 20 0 BHADRO CC[N@H+](CCSC)[C@H](C)c1cccc(F)c1 ZINC000604503331 491091658 /nfs/dbraw/zinc/09/16/58/491091658.db2.gz BYORORXGWWAVNX-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO CC[N@H+](CCSC)[C@@H](C)c1cccc(F)c1 ZINC000604503332 491091632 /nfs/dbraw/zinc/09/16/32/491091632.db2.gz BYORORXGWWAVNX-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CC[N@H+](CCSC)[C@H](C)c1ccccc1F ZINC000604503360 411314179 /nfs/dbraw/zinc/31/41/79/411314179.db2.gz HJZIHKAWZRULPK-LLVKDONJSA-N 1 0 241.375 3.572 20 0 BHADRO CC[N@H+](CCSC)[C@@H](C)c1ccccc1F ZINC000604503361 411314071 /nfs/dbraw/zinc/31/40/71/411314071.db2.gz HJZIHKAWZRULPK-NSHDSACASA-N 1 0 241.375 3.572 20 0 BHADRO CC(C)[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000604758545 350183943 /nfs/dbraw/zinc/18/39/43/350183943.db2.gz GRMSLQDRHJOBHA-HNNXBMFYSA-N 1 0 240.350 3.860 20 0 BHADRO CC(C)[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000604758551 350184153 /nfs/dbraw/zinc/18/41/53/350184153.db2.gz GRMSLQDRHJOBHA-OAHLLOKOSA-N 1 0 240.350 3.860 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000604759255 350184137 /nfs/dbraw/zinc/18/41/37/350184137.db2.gz WAYYKDCOTXXPMY-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC000604759256 350183971 /nfs/dbraw/zinc/18/39/71/350183971.db2.gz WAYYKDCOTXXPMY-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)(C)CC[NH+]1CCc2ccccc2CC1 ZINC000604759988 350184665 /nfs/dbraw/zinc/18/46/65/350184665.db2.gz QRAPFOWHILAVPR-UHFFFAOYSA-N 1 0 231.383 3.523 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000604883929 350195744 /nfs/dbraw/zinc/19/57/44/350195744.db2.gz CCXBHAUDSWYPSN-KBPBESRZSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000604883930 350195852 /nfs/dbraw/zinc/19/58/52/350195852.db2.gz CCXBHAUDSWYPSN-KGLIPLIRSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000604883931 350195758 /nfs/dbraw/zinc/19/57/58/350195758.db2.gz CCXBHAUDSWYPSN-UONOGXRCSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000604883932 350196476 /nfs/dbraw/zinc/19/64/76/350196476.db2.gz CCXBHAUDSWYPSN-ZIAGYGMSSA-N 1 0 217.356 3.522 20 0 BHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000604883987 350196208 /nfs/dbraw/zinc/19/62/08/350196208.db2.gz RZZGODFIYXFPBU-KFWWJZLASA-N 1 0 231.383 3.768 20 0 BHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000604883988 350196592 /nfs/dbraw/zinc/19/65/92/350196592.db2.gz RZZGODFIYXFPBU-QLFBSQMISA-N 1 0 231.383 3.768 20 0 BHADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000604883989 350196549 /nfs/dbraw/zinc/19/65/49/350196549.db2.gz RZZGODFIYXFPBU-RBSFLKMASA-N 1 0 231.383 3.768 20 0 BHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000604883990 350196684 /nfs/dbraw/zinc/19/66/84/350196684.db2.gz RZZGODFIYXFPBU-ZNMIVQPWSA-N 1 0 231.383 3.768 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000604884003 350196587 /nfs/dbraw/zinc/19/65/87/350196587.db2.gz YHWKIRXTUGGTHS-KBPBESRZSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000604884004 350196484 /nfs/dbraw/zinc/19/64/84/350196484.db2.gz YHWKIRXTUGGTHS-KGLIPLIRSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000604884005 350196564 /nfs/dbraw/zinc/19/65/64/350196564.db2.gz YHWKIRXTUGGTHS-UONOGXRCSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000604884006 350196322 /nfs/dbraw/zinc/19/63/22/350196322.db2.gz YHWKIRXTUGGTHS-ZIAGYGMSSA-N 1 0 217.356 3.665 20 0 BHADRO CCC1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000604884363 350196561 /nfs/dbraw/zinc/19/65/61/350196561.db2.gz MGZORDSMFLOWLY-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO CCC1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000604884364 350196531 /nfs/dbraw/zinc/19/65/31/350196531.db2.gz MGZORDSMFLOWLY-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CCC(CC)[N@H+](Cc1ccn(C(C)C)n1)C1CC1 ZINC000604884427 350196522 /nfs/dbraw/zinc/19/65/22/350196522.db2.gz VLUJLPYJRMCDPB-UHFFFAOYSA-N 1 0 249.402 3.617 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@H](C)c1ccccc1 ZINC000604884470 350196504 /nfs/dbraw/zinc/19/65/04/350196504.db2.gz CJIQEQGCXPKSTF-AWEZNQCLSA-N 1 0 243.350 3.905 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@@H](C)c1ccccc1 ZINC000604884471 350196637 /nfs/dbraw/zinc/19/66/37/350196637.db2.gz CJIQEQGCXPKSTF-CQSZACIVSA-N 1 0 243.350 3.905 20 0 BHADRO C[C@H](C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000604884496 350196331 /nfs/dbraw/zinc/19/63/31/350196331.db2.gz ICTZTNFIBFESGM-CYBMUJFWSA-N 1 0 219.372 3.768 20 0 BHADRO C[C@@H](C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000604884497 350196346 /nfs/dbraw/zinc/19/63/46/350196346.db2.gz ICTZTNFIBFESGM-ZDUSSCGKSA-N 1 0 219.372 3.768 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000604884498 350196675 /nfs/dbraw/zinc/19/66/75/350196675.db2.gz ICYSYUDRZJXZKN-DZGCQCFKSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000604884499 350196618 /nfs/dbraw/zinc/19/66/18/350196618.db2.gz ICYSYUDRZJXZKN-HIFRSBDPSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000604884500 350196644 /nfs/dbraw/zinc/19/66/44/350196644.db2.gz ICYSYUDRZJXZKN-UKRRQHHQSA-N 1 0 217.356 3.665 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000604884501 350196376 /nfs/dbraw/zinc/19/63/76/350196376.db2.gz ICYSYUDRZJXZKN-ZFWWWQNUSA-N 1 0 217.356 3.665 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000604884572 350196309 /nfs/dbraw/zinc/19/63/09/350196309.db2.gz RFHHJEAISQLTOL-BBRMVZONSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000604884573 350196182 /nfs/dbraw/zinc/19/61/82/350196182.db2.gz RFHHJEAISQLTOL-CJNGLKHVSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000604884574 350196407 /nfs/dbraw/zinc/19/64/07/350196407.db2.gz RFHHJEAISQLTOL-CZUORRHYSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000604884575 350196223 /nfs/dbraw/zinc/19/62/23/350196223.db2.gz RFHHJEAISQLTOL-XJKSGUPXSA-N 1 0 229.367 3.665 20 0 BHADRO CCCC[N@H+](CC)C[C@H](C)c1ccccc1 ZINC000604884797 350196200 /nfs/dbraw/zinc/19/62/00/350196200.db2.gz HFTGTMXRSQCEKB-AWEZNQCLSA-N 1 0 219.372 3.912 20 0 BHADRO CCCC[N@H+](CC)C[C@@H](C)c1ccccc1 ZINC000604884798 350196690 /nfs/dbraw/zinc/19/66/90/350196690.db2.gz HFTGTMXRSQCEKB-CQSZACIVSA-N 1 0 219.372 3.912 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000604884801 350196497 /nfs/dbraw/zinc/19/64/97/350196497.db2.gz HGSCKEZLBDQCHU-CABCVRRESA-N 1 0 231.383 3.912 20 0 BHADRO CC[C@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000604884802 350196231 /nfs/dbraw/zinc/19/62/31/350196231.db2.gz HGSCKEZLBDQCHU-GJZGRUSLSA-N 1 0 231.383 3.912 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000604884803 350196425 /nfs/dbraw/zinc/19/64/25/350196425.db2.gz HGSCKEZLBDQCHU-HUUCEWRRSA-N 1 0 231.383 3.912 20 0 BHADRO CC[C@@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000604884804 350196517 /nfs/dbraw/zinc/19/65/17/350196517.db2.gz HGSCKEZLBDQCHU-LSDHHAIUSA-N 1 0 231.383 3.912 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000604884851 350196437 /nfs/dbraw/zinc/19/64/37/350196437.db2.gz PARSMMBESNKVGY-KBPBESRZSA-N 1 0 219.372 3.766 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000604884852 350196628 /nfs/dbraw/zinc/19/66/28/350196628.db2.gz PARSMMBESNKVGY-KGLIPLIRSA-N 1 0 219.372 3.766 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000604884853 350196665 /nfs/dbraw/zinc/19/66/65/350196665.db2.gz PARSMMBESNKVGY-UONOGXRCSA-N 1 0 219.372 3.766 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000604884854 350196568 /nfs/dbraw/zinc/19/65/68/350196568.db2.gz PARSMMBESNKVGY-ZIAGYGMSSA-N 1 0 219.372 3.766 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)CC1)c1ccccc1 ZINC000604884928 350196552 /nfs/dbraw/zinc/19/65/52/350196552.db2.gz UNXWOXHAUGNSJP-CABCVRRESA-N 1 0 231.383 3.912 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H](C)CC1)c1ccccc1 ZINC000604884929 350196696 /nfs/dbraw/zinc/19/66/96/350196696.db2.gz UNXWOXHAUGNSJP-GJZGRUSLSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)CC1)c1ccccc1 ZINC000604884930 350196490 /nfs/dbraw/zinc/19/64/90/350196490.db2.gz UNXWOXHAUGNSJP-HUUCEWRRSA-N 1 0 231.383 3.912 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H](C)CC1)c1ccccc1 ZINC000604884931 350196153 /nfs/dbraw/zinc/19/61/53/350196153.db2.gz UNXWOXHAUGNSJP-LSDHHAIUSA-N 1 0 231.383 3.912 20 0 BHADRO CCC[N@H+](C[C@H](C)c1ccccc1)CC1CC1 ZINC000604885044 350196283 /nfs/dbraw/zinc/19/62/83/350196283.db2.gz BPFDLTLKWHRKLO-AWEZNQCLSA-N 1 0 231.383 3.912 20 0 BHADRO CCC[N@H+](C[C@@H](C)c1ccccc1)CC1CC1 ZINC000604885045 350196453 /nfs/dbraw/zinc/19/64/53/350196453.db2.gz BPFDLTLKWHRKLO-CQSZACIVSA-N 1 0 231.383 3.912 20 0 BHADRO CC[N@H+](C[C@@H](C)c1ccccc1)CC1CC1 ZINC000604885104 350196670 /nfs/dbraw/zinc/19/66/70/350196670.db2.gz MQCPJWDRXVVOBO-CYBMUJFWSA-N 1 0 217.356 3.522 20 0 BHADRO CC[N@H+](C[C@H](C)c1ccccc1)CC1CC1 ZINC000604885105 350196544 /nfs/dbraw/zinc/19/65/44/350196544.db2.gz MQCPJWDRXVVOBO-ZDUSSCGKSA-N 1 0 217.356 3.522 20 0 BHADRO CC[N@H+](CC(C)C)C[C@H](C)c1ccccc1 ZINC000604885252 350194526 /nfs/dbraw/zinc/19/45/26/350194526.db2.gz TXGUVHDEGALGDB-AWEZNQCLSA-N 1 0 219.372 3.768 20 0 BHADRO CC[N@H+](CC(C)C)C[C@@H](C)c1ccccc1 ZINC000604885253 350194118 /nfs/dbraw/zinc/19/41/18/350194118.db2.gz TXGUVHDEGALGDB-CQSZACIVSA-N 1 0 219.372 3.768 20 0 BHADRO CC(C)([NH2+]Cc1ccc(F)cc1)c1cccs1 ZINC000604892728 350196623 /nfs/dbraw/zinc/19/66/23/350196623.db2.gz WFNLKYDHSVKEHV-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC(C)([NH2+]Cc1cccc(F)c1)c1cccs1 ZINC000604892910 350198071 /nfs/dbraw/zinc/19/80/71/350198071.db2.gz KQVPCBMNGZQMSM-UHFFFAOYSA-N 1 0 249.354 3.912 20 0 BHADRO CC(C)=CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000604903149 350197360 /nfs/dbraw/zinc/19/73/60/350197360.db2.gz QSIZKLCUBXECHK-UHFFFAOYSA-N 1 0 247.357 3.799 20 0 BHADRO CCc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000604997025 350233622 /nfs/dbraw/zinc/23/36/22/350233622.db2.gz FAQKTCWBAQNNAJ-UHFFFAOYSA-N 1 0 217.356 3.623 20 0 BHADRO CCc1ccc(C[N@H+](CC2CC2)C(C)C)cc1 ZINC000604997462 350234026 /nfs/dbraw/zinc/23/40/26/350234026.db2.gz YYUUEDNFDZZWFL-UHFFFAOYSA-N 1 0 231.383 3.869 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000604997739 537872460 /nfs/dbraw/zinc/87/24/60/537872460.db2.gz GCXSXQHWOWBCNH-INIZCTEOSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000604997740 537870693 /nfs/dbraw/zinc/87/06/93/537870693.db2.gz GCXSXQHWOWBCNH-MRXNPFEDSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccc(C[N@H+](CC)Cc2ccoc2)cc1 ZINC000604997813 537872577 /nfs/dbraw/zinc/87/25/77/537872577.db2.gz LOLPAURUMCTZGM-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO CCc1ccc(C[N@H+]2CCC[C@@H]2CC)cc1 ZINC000604997814 398123033 /nfs/dbraw/zinc/12/30/33/398123033.db2.gz LQWXALURCKQOKJ-HNNXBMFYSA-N 1 0 217.356 3.623 20 0 BHADRO CCc1ccc(C[N@H+]2CCC[C@H]2CC)cc1 ZINC000604997815 398123309 /nfs/dbraw/zinc/12/33/09/398123309.db2.gz LQWXALURCKQOKJ-OAHLLOKOSA-N 1 0 217.356 3.623 20 0 BHADRO CCc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000604998327 398123156 /nfs/dbraw/zinc/12/31/56/398123156.db2.gz PBXFJYUTMAKXMD-UHFFFAOYSA-N 1 0 237.346 3.765 20 0 BHADRO CCc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000604998650 350234506 /nfs/dbraw/zinc/23/45/06/350234506.db2.gz NVNQPAZFSATJCX-UHFFFAOYSA-N 1 0 243.394 3.871 20 0 BHADRO CCc1ccc(C[N@H+](C)C(C)(C)CC)cc1 ZINC000604998707 350234858 /nfs/dbraw/zinc/23/48/58/350234858.db2.gz UDLVUKLWWZLVTF-UHFFFAOYSA-N 1 0 219.372 3.869 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000604998788 350235318 /nfs/dbraw/zinc/23/53/18/350235318.db2.gz BJWHRTNDPMABDU-CYBMUJFWSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000604998789 350235502 /nfs/dbraw/zinc/23/55/02/350235502.db2.gz BJWHRTNDPMABDU-ZDUSSCGKSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000604998820 350235547 /nfs/dbraw/zinc/23/55/47/350235547.db2.gz FCYPLGRHBKKJTL-CYBMUJFWSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000604998821 350235322 /nfs/dbraw/zinc/23/53/22/350235322.db2.gz FCYPLGRHBKKJTL-ZDUSSCGKSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000604998850 350235695 /nfs/dbraw/zinc/23/56/95/350235695.db2.gz HKNYGPKQXBAAMW-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000604998851 350235559 /nfs/dbraw/zinc/23/55/59/350235559.db2.gz HKNYGPKQXBAAMW-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)CC1 ZINC000604998854 350235350 /nfs/dbraw/zinc/23/53/50/350235350.db2.gz IAVYPNABSZGXRU-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)CC1 ZINC000604998855 350235988 /nfs/dbraw/zinc/23/59/88/350235988.db2.gz IAVYPNABSZGXRU-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)CC1 ZINC000604998856 350235824 /nfs/dbraw/zinc/23/58/24/350235824.db2.gz IAVYPNABSZGXRU-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)CC1 ZINC000604998857 350235854 /nfs/dbraw/zinc/23/58/54/350235854.db2.gz IAVYPNABSZGXRU-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000604999230 350235971 /nfs/dbraw/zinc/23/59/71/350235971.db2.gz WZGCRBNHJRRAKK-CYBMUJFWSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000604999231 350235521 /nfs/dbraw/zinc/23/55/21/350235521.db2.gz WZGCRBNHJRRAKK-ZDUSSCGKSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999814 350235712 /nfs/dbraw/zinc/23/57/12/350235712.db2.gz SNJBMSBCOZMQLZ-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999815 350236023 /nfs/dbraw/zinc/23/60/23/350236023.db2.gz SNJBMSBCOZMQLZ-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000605000418 350235689 /nfs/dbraw/zinc/23/56/89/350235689.db2.gz PKFKDZGJQBVKNM-HNNXBMFYSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000605000419 350235723 /nfs/dbraw/zinc/23/57/23/350235723.db2.gz PKFKDZGJQBVKNM-OAHLLOKOSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000605000621 350236679 /nfs/dbraw/zinc/23/66/79/350236679.db2.gz LHKBNDPBPMZYJA-AWEZNQCLSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000605000622 350236433 /nfs/dbraw/zinc/23/64/33/350236433.db2.gz LHKBNDPBPMZYJA-CQSZACIVSA-N 1 0 209.377 3.687 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000605149784 350258419 /nfs/dbraw/zinc/25/84/19/350258419.db2.gz PZYCYOZHQUSXED-CYBMUJFWSA-N 1 0 235.371 3.878 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000605149785 350258284 /nfs/dbraw/zinc/25/82/84/350258284.db2.gz PZYCYOZHQUSXED-ZDUSSCGKSA-N 1 0 235.371 3.878 20 0 BHADRO CCCCC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000605149855 350259014 /nfs/dbraw/zinc/25/90/14/350259014.db2.gz HEPVQVUESDCZFF-UHFFFAOYSA-N 1 0 221.344 3.743 20 0 BHADRO CCCCC[N@H+](C1CC1)C1CCCCC1 ZINC000605149895 350258846 /nfs/dbraw/zinc/25/88/46/350258846.db2.gz LZAJCIZMFZBFAG-UHFFFAOYSA-N 1 0 209.377 3.974 20 0 BHADRO CCCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000605149974 350259584 /nfs/dbraw/zinc/25/95/84/350259584.db2.gz ZWUMLQHTLDKETK-LLVKDONJSA-N 1 0 211.374 3.931 20 0 BHADRO CCCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000605149975 350259311 /nfs/dbraw/zinc/25/93/11/350259311.db2.gz ZWUMLQHTLDKETK-NSHDSACASA-N 1 0 211.374 3.931 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000605149984 350259041 /nfs/dbraw/zinc/25/90/41/350259041.db2.gz BFMYXKSQNHEQMC-HNNXBMFYSA-N 1 0 233.355 3.719 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000605149985 350259154 /nfs/dbraw/zinc/25/91/54/350259154.db2.gz BFMYXKSQNHEQMC-OAHLLOKOSA-N 1 0 233.355 3.719 20 0 BHADRO CCCCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC000605149991 350259370 /nfs/dbraw/zinc/25/93/70/350259370.db2.gz BSTKAYQNPIRABR-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CCCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000605150001 350259268 /nfs/dbraw/zinc/25/92/68/350259268.db2.gz DJGCPQKQTAGGAK-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000605150087 350259113 /nfs/dbraw/zinc/25/91/13/350259113.db2.gz OZCPOZOUOXWAOK-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000605150088 350259178 /nfs/dbraw/zinc/25/91/78/350259178.db2.gz OZCPOZOUOXWAOK-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000605150175 350260646 /nfs/dbraw/zinc/26/06/46/350260646.db2.gz GIJMSXCBSKJXRB-HNNXBMFYSA-N 1 0 217.356 3.666 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000605150176 350260677 /nfs/dbraw/zinc/26/06/77/350260677.db2.gz GIJMSXCBSKJXRB-OAHLLOKOSA-N 1 0 217.356 3.666 20 0 BHADRO CCCCC[N@H+](CC)CCc1cccs1 ZINC000605150196 350260189 /nfs/dbraw/zinc/26/01/89/350260189.db2.gz IYTDKSFZWFTSSE-UHFFFAOYSA-N 1 0 225.401 3.803 20 0 BHADRO CCCCC[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000605150246 350260236 /nfs/dbraw/zinc/26/02/36/350260236.db2.gz RKNJAVSBVVJJBN-HNNXBMFYSA-N 1 0 249.398 3.886 20 0 BHADRO CCCCC[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000605150247 350260656 /nfs/dbraw/zinc/26/06/56/350260656.db2.gz RKNJAVSBVVJJBN-OAHLLOKOSA-N 1 0 249.398 3.886 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000605150305 350259972 /nfs/dbraw/zinc/25/99/72/350259972.db2.gz FGPZOEQHRODGRP-HNNXBMFYSA-N 1 0 247.382 3.675 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000605150306 350260312 /nfs/dbraw/zinc/26/03/12/350260312.db2.gz FGPZOEQHRODGRP-OAHLLOKOSA-N 1 0 247.382 3.675 20 0 BHADRO CCCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000605150332 350260397 /nfs/dbraw/zinc/26/03/97/350260397.db2.gz IYOXQZZWECPTKE-UHFFFAOYSA-N 1 0 235.346 3.985 20 0 BHADRO CCCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000605150394 350260247 /nfs/dbraw/zinc/26/02/47/350260247.db2.gz UGIMQOOMVHXKHY-HNNXBMFYSA-N 1 0 231.383 3.975 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000605150395 350260029 /nfs/dbraw/zinc/26/00/29/350260029.db2.gz UGIMQOOMVHXKHY-OAHLLOKOSA-N 1 0 231.383 3.975 20 0 BHADRO CCCCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000605150415 350260668 /nfs/dbraw/zinc/26/06/68/350260668.db2.gz XGQYNVPICPXJRM-AWEZNQCLSA-N 1 0 219.372 3.912 20 0 BHADRO CCCCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000605150416 350260294 /nfs/dbraw/zinc/26/02/94/350260294.db2.gz XGQYNVPICPXJRM-CQSZACIVSA-N 1 0 219.372 3.912 20 0 BHADRO CCCCC[N@H+](C)Cc1ccc(C)s1 ZINC000605150477 350260984 /nfs/dbraw/zinc/26/09/84/350260984.db2.gz VMXCZZLSYHDXRT-UHFFFAOYSA-N 1 0 211.374 3.679 20 0 BHADRO c1ccc(SCC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000605150515 350261100 /nfs/dbraw/zinc/26/11/00/350261100.db2.gz HMEONIDGYVWRBZ-HNNXBMFYSA-N 1 0 247.407 3.653 20 0 BHADRO c1ccc(SCC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000605150516 350261608 /nfs/dbraw/zinc/26/16/08/350261608.db2.gz HMEONIDGYVWRBZ-OAHLLOKOSA-N 1 0 247.407 3.653 20 0 BHADRO CCCCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000605150706 350261409 /nfs/dbraw/zinc/26/14/09/350261409.db2.gz QZTQWGNKVBJAED-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000605150707 350261115 /nfs/dbraw/zinc/26/11/15/350261115.db2.gz QZTQWGNKVBJAED-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCC[N@@H+]1CCCc2sccc2C1 ZINC000605150775 350261622 /nfs/dbraw/zinc/26/16/22/350261622.db2.gz BCQPZMVFLWLUMQ-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000605150922 350262207 /nfs/dbraw/zinc/26/22/07/350262207.db2.gz FNGJNAFUKOTIIR-INIZCTEOSA-N 1 0 247.382 3.720 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000605150923 350262485 /nfs/dbraw/zinc/26/24/85/350262485.db2.gz FNGJNAFUKOTIIR-MRXNPFEDSA-N 1 0 247.382 3.720 20 0 BHADRO CCC[N@H+](CCCCOC)Cc1ccc(C)cc1 ZINC000605150936 350261907 /nfs/dbraw/zinc/26/19/07/350261907.db2.gz HGXCAGPSNOIYNH-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO CCCCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000605151012 350262052 /nfs/dbraw/zinc/26/20/52/350262052.db2.gz WDKDQUNOOLNHQN-INIZCTEOSA-N 1 0 231.383 3.666 20 0 BHADRO CCCCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000605151013 350262381 /nfs/dbraw/zinc/26/23/81/350262381.db2.gz WDKDQUNOOLNHQN-MRXNPFEDSA-N 1 0 231.383 3.666 20 0 BHADRO CC(C)CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154256 350264021 /nfs/dbraw/zinc/26/40/21/350264021.db2.gz MLMWRGGARMOTNT-HNNXBMFYSA-N 1 0 249.423 3.823 20 0 BHADRO CC(C)CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154257 350264311 /nfs/dbraw/zinc/26/43/11/350264311.db2.gz MLMWRGGARMOTNT-OAHLLOKOSA-N 1 0 249.423 3.823 20 0 BHADRO CCCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154862 350263892 /nfs/dbraw/zinc/26/38/92/350263892.db2.gz CBKWTOJEJGHHEN-HNNXBMFYSA-N 1 0 249.423 3.967 20 0 BHADRO CCCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154863 350263956 /nfs/dbraw/zinc/26/39/56/350263956.db2.gz CBKWTOJEJGHHEN-OAHLLOKOSA-N 1 0 249.423 3.967 20 0 BHADRO CC(C)=CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155382 350263816 /nfs/dbraw/zinc/26/38/16/350263816.db2.gz PDEWMBUXOMGZEM-HNNXBMFYSA-N 1 0 247.407 3.743 20 0 BHADRO CC(C)=CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155383 350263930 /nfs/dbraw/zinc/26/39/30/350263930.db2.gz PDEWMBUXOMGZEM-OAHLLOKOSA-N 1 0 247.407 3.743 20 0 BHADRO CCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155997 350264139 /nfs/dbraw/zinc/26/41/39/350264139.db2.gz GOOXIWCQUNZLCS-AWEZNQCLSA-N 1 0 235.396 3.577 20 0 BHADRO CCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155998 350263852 /nfs/dbraw/zinc/26/38/52/350263852.db2.gz GOOXIWCQUNZLCS-CQSZACIVSA-N 1 0 235.396 3.577 20 0 BHADRO CC[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000605156963 350262104 /nfs/dbraw/zinc/26/21/04/350262104.db2.gz ABASRNBQDKXBIX-HNNXBMFYSA-N 1 0 217.356 3.932 20 0 BHADRO CC[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000605156964 350262352 /nfs/dbraw/zinc/26/23/52/350262352.db2.gz ABASRNBQDKXBIX-OAHLLOKOSA-N 1 0 217.356 3.932 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000605317201 342750175 /nfs/dbraw/zinc/75/01/75/342750175.db2.gz ILQOHZZMFSNTGL-CHWSQXEVSA-N 1 0 249.423 3.575 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000605317202 342750191 /nfs/dbraw/zinc/75/01/91/342750191.db2.gz ILQOHZZMFSNTGL-OLZOCXBDSA-N 1 0 249.423 3.575 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000605317203 342750492 /nfs/dbraw/zinc/75/04/92/342750492.db2.gz ILQOHZZMFSNTGL-QWHCGFSZSA-N 1 0 249.423 3.575 20 0 BHADRO CCc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000605317204 342750467 /nfs/dbraw/zinc/75/04/67/342750467.db2.gz ILQOHZZMFSNTGL-STQMWFEESA-N 1 0 249.423 3.575 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000605317311 342750373 /nfs/dbraw/zinc/75/03/73/342750373.db2.gz RJTNAZHAZLAKLY-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000605317312 342750427 /nfs/dbraw/zinc/75/04/27/342750427.db2.gz RJTNAZHAZLAKLY-KGLIPLIRSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000605317313 342750433 /nfs/dbraw/zinc/75/04/33/342750433.db2.gz RJTNAZHAZLAKLY-UONOGXRCSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1cc(C)cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000605317314 342750367 /nfs/dbraw/zinc/75/03/67/342750367.db2.gz RJTNAZHAZLAKLY-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO CC(C)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000605317705 342750272 /nfs/dbraw/zinc/75/02/72/342750272.db2.gz MBHOYUCXQXIHKD-DZGCQCFKSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000605317706 342750392 /nfs/dbraw/zinc/75/03/92/342750392.db2.gz MBHOYUCXQXIHKD-HIFRSBDPSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000605317707 342750399 /nfs/dbraw/zinc/75/03/99/342750399.db2.gz MBHOYUCXQXIHKD-UKRRQHHQSA-N 1 0 249.423 3.821 20 0 BHADRO CC(C)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000605317708 342750476 /nfs/dbraw/zinc/75/04/76/342750476.db2.gz MBHOYUCXQXIHKD-ZFWWWQNUSA-N 1 0 249.423 3.821 20 0 BHADRO CCCC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000605317905 342750344 /nfs/dbraw/zinc/75/03/44/342750344.db2.gz WSHWFGWSVLPEGF-DZGCQCFKSA-N 1 0 249.423 3.965 20 0 BHADRO CCCC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000605317906 342750215 /nfs/dbraw/zinc/75/02/15/342750215.db2.gz WSHWFGWSVLPEGF-HIFRSBDPSA-N 1 0 249.423 3.965 20 0 BHADRO CCCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000605317907 342750507 /nfs/dbraw/zinc/75/05/07/342750507.db2.gz WSHWFGWSVLPEGF-UKRRQHHQSA-N 1 0 249.423 3.965 20 0 BHADRO CCCC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000605317908 342750287 /nfs/dbraw/zinc/75/02/87/342750287.db2.gz WSHWFGWSVLPEGF-ZFWWWQNUSA-N 1 0 249.423 3.965 20 0 BHADRO CC(C)[C@H](C[NH2+]CC(C)(C)C)Nc1ccccc1 ZINC000605322284 342752085 /nfs/dbraw/zinc/75/20/85/342752085.db2.gz UBHPZAKXHFMBOO-HNNXBMFYSA-N 1 0 248.414 3.759 20 0 BHADRO CC(C)[C@@H](C[NH2+]CC(C)(C)C)Nc1ccccc1 ZINC000605322285 342752168 /nfs/dbraw/zinc/75/21/68/342752168.db2.gz UBHPZAKXHFMBOO-OAHLLOKOSA-N 1 0 248.414 3.759 20 0 BHADRO CCC[NH+](CCC)CCOC1CCCCCC1 ZINC000605436150 344001477 /nfs/dbraw/zinc/00/14/77/344001477.db2.gz KFNDAYSJABASIR-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO Fc1ccc2c(NCCCC3CC3)cc[nH+]c2c1 ZINC000605572088 345968217 /nfs/dbraw/zinc/96/82/17/345968217.db2.gz QJHYSYLEDMRJAM-UHFFFAOYSA-N 1 0 244.313 3.976 20 0 BHADRO Cc1ccc(CC[N@@H+](C)Cc2ccsc2)cc1 ZINC000605572200 345968085 /nfs/dbraw/zinc/96/80/85/345968085.db2.gz VBTOWJUCHSRFPY-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO Cc1ccc(CC[N@@H+](C)C2CCCCC2)cc1 ZINC000605572571 345967988 /nfs/dbraw/zinc/96/79/88/345967988.db2.gz DYXWCPXCGWEYQG-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO c1ccc2c(c1)cccc2CCC[NH+]1CCCC1 ZINC000605572575 345968117 /nfs/dbraw/zinc/96/81/17/345968117.db2.gz FKUMNSWWRQZYDA-UHFFFAOYSA-N 1 0 239.362 3.868 20 0 BHADRO Cc1ccc(CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000605572881 345968137 /nfs/dbraw/zinc/96/81/37/345968137.db2.gz UCOOJCNVDRZJIG-GASCZTMLSA-N 1 0 231.383 3.515 20 0 BHADRO Cc1ccc(CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000605572882 345968374 /nfs/dbraw/zinc/96/83/74/345968374.db2.gz UCOOJCNVDRZJIG-GJZGRUSLSA-N 1 0 231.383 3.515 20 0 BHADRO Cc1ccc(CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000605572883 345968242 /nfs/dbraw/zinc/96/82/42/345968242.db2.gz UCOOJCNVDRZJIG-HUUCEWRRSA-N 1 0 231.383 3.515 20 0 BHADRO Cc1ccc(CC[N@@H+](CC(C)C)C(C)C)cc1 ZINC000605573090 345968223 /nfs/dbraw/zinc/96/82/23/345968223.db2.gz AMZQOEBQDJTXHP-UHFFFAOYSA-N 1 0 233.399 3.904 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000605573091 345968429 /nfs/dbraw/zinc/96/84/29/345968429.db2.gz HFXHVPAHDXLGPV-KRWDZBQOSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000605573101 345968040 /nfs/dbraw/zinc/96/80/40/345968040.db2.gz HFXHVPAHDXLGPV-QGZVFWFLSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000605573150 345968383 /nfs/dbraw/zinc/96/83/83/345968383.db2.gz DTBNIURGRLDGBS-AWEZNQCLSA-N 1 0 233.399 3.904 20 0 BHADRO Cc1ccc(CC[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000605573151 345968171 /nfs/dbraw/zinc/96/81/71/345968171.db2.gz DTBNIURGRLDGBS-CQSZACIVSA-N 1 0 233.399 3.904 20 0 BHADRO Cc1ccc(CC[N@H+](C2CC2)C2CCCC2)cc1 ZINC000605573195 345968120 /nfs/dbraw/zinc/96/81/20/345968120.db2.gz HAJCUMWOTRPTRS-UHFFFAOYSA-N 1 0 243.394 3.945 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)Cc1ccoc1 ZINC000605573320 345968000 /nfs/dbraw/zinc/96/80/00/345968000.db2.gz NJUCCDKMGCIFJV-UHFFFAOYSA-N 1 0 243.350 3.653 20 0 BHADRO CCCC[N@H+](CCc1ccc(C)cc1)C1CC1 ZINC000605573326 345968367 /nfs/dbraw/zinc/96/83/67/345968367.db2.gz NEQYLPITKBEFOW-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+](CC(C)C)C2CC2)cc1 ZINC000605573477 345968179 /nfs/dbraw/zinc/96/81/79/345968179.db2.gz STRJUTHOLUDADN-UHFFFAOYSA-N 1 0 231.383 3.658 20 0 BHADRO CCCC[N@H+](CC)CCc1ccc(C)cc1 ZINC000605573490 345968093 /nfs/dbraw/zinc/96/80/93/345968093.db2.gz WMSKVAHNCJPSBK-UHFFFAOYSA-N 1 0 219.372 3.660 20 0 BHADRO CC[C@H]1CCC[N@H+](CCc2ccc(C)cc2)C1 ZINC000605573917 345968165 /nfs/dbraw/zinc/96/81/65/345968165.db2.gz KASVPPIAWWPEFQ-HNNXBMFYSA-N 1 0 231.383 3.660 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCc2ccc(C)cc2)C1 ZINC000605573918 345969001 /nfs/dbraw/zinc/96/90/01/345969001.db2.gz KASVPPIAWWPEFQ-OAHLLOKOSA-N 1 0 231.383 3.660 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCc1ccc(C)cc1 ZINC000605573926 345968981 /nfs/dbraw/zinc/96/89/81/345968981.db2.gz LVRNJSSVTFZWQW-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCc1ccc(C)cc1 ZINC000605573927 345969016 /nfs/dbraw/zinc/96/90/16/345969016.db2.gz LVRNJSSVTFZWQW-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)C1CCCC1 ZINC000605573941 345968740 /nfs/dbraw/zinc/96/87/40/345968740.db2.gz PBCOKULVCWWRMF-UHFFFAOYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@H](C)CC2)cc1 ZINC000605574381 345968971 /nfs/dbraw/zinc/96/89/71/345968971.db2.gz CSMHJNTWERRGJN-AWEZNQCLSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@@H](C)CC2)cc1 ZINC000605574382 345968525 /nfs/dbraw/zinc/96/85/25/345968525.db2.gz CSMHJNTWERRGJN-CQSZACIVSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccc(CC[N@@H+](C)CC2CCCC2)cc1 ZINC000605574414 345968678 /nfs/dbraw/zinc/96/86/78/345968678.db2.gz JRRMSODTGYPWOO-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@H]2C(C)C)cc1 ZINC000605574553 345968612 /nfs/dbraw/zinc/96/86/12/345968612.db2.gz ZUQKVVGNTACXKT-INIZCTEOSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000605574554 345968727 /nfs/dbraw/zinc/96/87/27/345968727.db2.gz ZUQKVVGNTACXKT-MRXNPFEDSA-N 1 0 231.383 3.658 20 0 BHADRO CCC(C)(C)[N@H+](C)CCc1ccc(C)cc1 ZINC000605574625 345969070 /nfs/dbraw/zinc/96/90/70/345969070.db2.gz VQLSZLFXFFOOKJ-UHFFFAOYSA-N 1 0 219.372 3.658 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)CC(C)C ZINC000605575102 345968769 /nfs/dbraw/zinc/96/87/69/345968769.db2.gz JWYOGNIRYZZOQS-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO Cc1ccc(CC[N@H+]2CCCCC[C@@H]2C)cc1 ZINC000605575137 345968232 /nfs/dbraw/zinc/96/82/32/345968232.db2.gz NJYHDOYGIIWYOZ-HNNXBMFYSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccc(CC[N@H+]2CCCCC[C@H]2C)cc1 ZINC000605575138 345968107 /nfs/dbraw/zinc/96/81/07/345968107.db2.gz NJYHDOYGIIWYOZ-OAHLLOKOSA-N 1 0 231.383 3.802 20 0 BHADRO Cc1ccc(CC[NH+](CC2CC2)CC2CC2)cc1 ZINC000605575202 345967992 /nfs/dbraw/zinc/96/79/92/345967992.db2.gz PGXSPRJTABSVNR-UHFFFAOYSA-N 1 0 243.394 3.660 20 0 BHADRO CCC[N@H+](CCc1ccc(C)cc1)CC1CC1 ZINC000605575216 345967351 /nfs/dbraw/zinc/96/73/51/345967351.db2.gz SMEIISLZQLTEIZ-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO CCC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000605575625 346024619 /nfs/dbraw/zinc/02/46/19/346024619.db2.gz LJLGLEVLAZRZMQ-UHFFFAOYSA-N 1 0 231.383 3.660 20 0 BHADRO Cc1ccc(CC[N@@H+](C)CCC(C)C)cc1 ZINC000605575952 346040006 /nfs/dbraw/zinc/04/00/06/346040006.db2.gz RHQIEFJMTSWFCO-UHFFFAOYSA-N 1 0 219.372 3.515 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCc1ccc(C)cc1 ZINC000605576713 346220351 /nfs/dbraw/zinc/22/03/51/346220351.db2.gz PRDATBJKUXKNHJ-CYBMUJFWSA-N 1 0 219.372 3.515 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCc1ccc(C)cc1 ZINC000605576714 346220494 /nfs/dbraw/zinc/22/04/94/346220494.db2.gz PRDATBJKUXKNHJ-ZDUSSCGKSA-N 1 0 219.372 3.515 20 0 BHADRO CC(C)=CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000605576775 346221398 /nfs/dbraw/zinc/22/13/98/346221398.db2.gz AJNBLFOBGCHGDD-UHFFFAOYSA-N 1 0 247.357 3.971 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000605592701 346609491 /nfs/dbraw/zinc/60/94/91/346609491.db2.gz JHLQIKWVNRJZJK-INIZCTEOSA-N 1 0 229.367 3.837 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000605592702 346609722 /nfs/dbraw/zinc/60/97/22/346609722.db2.gz JHLQIKWVNRJZJK-MRXNPFEDSA-N 1 0 229.367 3.837 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1ccc(CC)cc1 ZINC000605592744 346609538 /nfs/dbraw/zinc/60/95/38/346609538.db2.gz OKHFCRSVNJVWKB-INIZCTEOSA-N 1 0 249.398 3.544 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1ccc(CC)cc1 ZINC000605592745 346609738 /nfs/dbraw/zinc/60/97/38/346609738.db2.gz OKHFCRSVNJVWKB-MRXNPFEDSA-N 1 0 249.398 3.544 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1cc(C)ccc1C ZINC000605592958 346610246 /nfs/dbraw/zinc/61/02/46/346610246.db2.gz SQCIZRUOHSVGMO-INIZCTEOSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1cc(C)ccc1C ZINC000605592966 346610038 /nfs/dbraw/zinc/61/00/38/346610038.db2.gz SQCIZRUOHSVGMO-MRXNPFEDSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@@H](CC)c1ccccc1 ZINC000605593006 346611625 /nfs/dbraw/zinc/61/16/25/346611625.db2.gz FGJUSLZXGYRWHV-CVEARBPZSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@@H](CC)c1ccccc1 ZINC000605593008 346611546 /nfs/dbraw/zinc/61/15/46/346611546.db2.gz FGJUSLZXGYRWHV-HOTGVXAUSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@H](COC)[NH2+][C@H](CC)c1ccccc1 ZINC000605593009 346611548 /nfs/dbraw/zinc/61/15/48/346611548.db2.gz FGJUSLZXGYRWHV-HZPDHXFCSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[C@@H](COC)[NH2+][C@H](CC)c1ccccc1 ZINC000605593010 346611573 /nfs/dbraw/zinc/61/15/73/346611573.db2.gz FGJUSLZXGYRWHV-JKSUJKDBSA-N 1 0 249.398 3.933 20 0 BHADRO CCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605747552 347435938 /nfs/dbraw/zinc/43/59/38/347435938.db2.gz UBFPCPQOUIUARQ-CYBMUJFWSA-N 1 0 221.344 3.997 20 0 BHADRO CCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000605747553 347435342 /nfs/dbraw/zinc/43/53/42/347435342.db2.gz UBFPCPQOUIUARQ-ZDUSSCGKSA-N 1 0 221.344 3.997 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000605759769 347440212 /nfs/dbraw/zinc/44/02/12/347440212.db2.gz LECMOFMNKBPGNM-HNNXBMFYSA-N 1 0 247.357 3.656 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000605759770 347440579 /nfs/dbraw/zinc/44/05/79/347440579.db2.gz LECMOFMNKBPGNM-OAHLLOKOSA-N 1 0 247.357 3.656 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764176 385458681 /nfs/dbraw/zinc/45/86/81/385458681.db2.gz IIGXDSGNVAJIJR-GXTWGEPZSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764177 385458991 /nfs/dbraw/zinc/45/89/91/385458991.db2.gz IIGXDSGNVAJIJR-JSGCOSHPSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764178 385459154 /nfs/dbraw/zinc/45/91/54/385459154.db2.gz IIGXDSGNVAJIJR-OCCSQVGLSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764179 385458590 /nfs/dbraw/zinc/45/85/90/385458590.db2.gz IIGXDSGNVAJIJR-TZMCWYRMSA-N 1 0 235.346 3.660 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764287 385459027 /nfs/dbraw/zinc/45/90/27/385459027.db2.gz LLBDSEMINLEJCY-GXTWGEPZSA-N 1 0 235.346 3.804 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605764288 385459077 /nfs/dbraw/zinc/45/90/77/385459077.db2.gz LLBDSEMINLEJCY-JSGCOSHPSA-N 1 0 235.346 3.804 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764289 385458865 /nfs/dbraw/zinc/45/88/65/385458865.db2.gz LLBDSEMINLEJCY-OCCSQVGLSA-N 1 0 235.346 3.804 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605764290 385458517 /nfs/dbraw/zinc/45/85/17/385458517.db2.gz LLBDSEMINLEJCY-TZMCWYRMSA-N 1 0 235.346 3.804 20 0 BHADRO Cc1cccc(C[N@H+](C2CC2)C2CCCCC2)n1 ZINC000605901743 348896653 /nfs/dbraw/zinc/89/66/53/348896653.db2.gz RQINWMLJAHNUEB-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO c1ccc2oc(C[NH2+]C3CCCCCC3)nc2c1 ZINC000606354427 350318030 /nfs/dbraw/zinc/31/80/30/350318030.db2.gz LODQGZFOEJQMQL-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000606356535 350317806 /nfs/dbraw/zinc/31/78/06/350317806.db2.gz WIQOECJGEFCNKR-GFCCVEGCSA-N 1 0 246.354 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000606356536 350318263 /nfs/dbraw/zinc/31/82/63/350318263.db2.gz WIQOECJGEFCNKR-LBPRGKRZSA-N 1 0 246.354 3.742 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCC[C@H](C)C1 ZINC000606430151 350330827 /nfs/dbraw/zinc/33/08/27/350330827.db2.gz JEKNPVABAMYAJE-LBPRGKRZSA-N 1 0 217.356 3.535 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000606430220 350330926 /nfs/dbraw/zinc/33/09/26/350330926.db2.gz PCLDYALFUBKBEK-AWEZNQCLSA-N 1 0 221.319 3.763 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000606430221 350330313 /nfs/dbraw/zinc/33/03/13/350330313.db2.gz PCLDYALFUBKBEK-CQSZACIVSA-N 1 0 221.319 3.763 20 0 BHADRO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000606430285 350330697 /nfs/dbraw/zinc/33/06/97/350330697.db2.gz VWJXPMLEQCZQFD-AWEZNQCLSA-N 1 0 239.309 3.902 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000606430286 350330903 /nfs/dbraw/zinc/33/09/03/350330903.db2.gz VWJXPMLEQCZQFD-CQSZACIVSA-N 1 0 239.309 3.902 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)Cc1ccccc1 ZINC000606430323 350330488 /nfs/dbraw/zinc/33/04/88/350330488.db2.gz ZTWZQHSRQFNOTF-UHFFFAOYSA-N 1 0 239.362 3.935 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)Cc1ccsc1 ZINC000606431035 350331592 /nfs/dbraw/zinc/33/15/92/350331592.db2.gz IUEYBHSGUAHIRB-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)C1CCCC1 ZINC000606431242 350331762 /nfs/dbraw/zinc/33/17/62/350331762.db2.gz OLLBEGBGDVTGOI-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)C(C)C ZINC000606431426 350331698 /nfs/dbraw/zinc/33/16/98/350331698.db2.gz QAGSHLJUJUZNOM-AWEZNQCLSA-N 1 0 219.372 3.780 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)C(C)C ZINC000606431427 350331492 /nfs/dbraw/zinc/33/14/92/350331492.db2.gz QAGSHLJUJUZNOM-CQSZACIVSA-N 1 0 219.372 3.780 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC000606431513 350331427 /nfs/dbraw/zinc/33/14/27/350331427.db2.gz GCXLYERBYKYZFG-AWEZNQCLSA-N 1 0 219.372 3.924 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC000606431514 350331420 /nfs/dbraw/zinc/33/14/20/350331420.db2.gz GCXLYERBYKYZFG-CQSZACIVSA-N 1 0 219.372 3.924 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)CCC(C)C ZINC000606431640 350331728 /nfs/dbraw/zinc/33/17/28/350331728.db2.gz FHRRYDOATCVPPP-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)CC1CCCC1 ZINC000606431959 350331626 /nfs/dbraw/zinc/33/16/26/350331626.db2.gz NMLFKENJKGBGJL-UHFFFAOYSA-N 1 0 231.383 3.925 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCC[C@H]1C(C)C ZINC000606432027 350331370 /nfs/dbraw/zinc/33/13/70/350331370.db2.gz ZXZKBELJNGGRJZ-INIZCTEOSA-N 1 0 231.383 3.924 20 0 BHADRO Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1C(C)C ZINC000606432028 350331525 /nfs/dbraw/zinc/33/15/25/350331525.db2.gz ZXZKBELJNGGRJZ-MRXNPFEDSA-N 1 0 231.383 3.924 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1c(C)cccc1C ZINC000606432768 350332623 /nfs/dbraw/zinc/33/26/23/350332623.db2.gz RKHRPHDCUAJYFK-UHFFFAOYSA-N 1 0 243.350 3.919 20 0 BHADRO Cc1cccc(C)c1C[N@@H+](C)CC(C)(C)C ZINC000606432786 350332316 /nfs/dbraw/zinc/33/23/16/350332316.db2.gz DZMDAELXWWTKGI-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000606432839 350332459 /nfs/dbraw/zinc/33/24/59/350332459.db2.gz DILDOMCVSHWRSO-AWEZNQCLSA-N 1 0 217.356 3.678 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC000606432840 350332616 /nfs/dbraw/zinc/33/26/16/350332616.db2.gz DILDOMCVSHWRSO-CQSZACIVSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000606432853 350332658 /nfs/dbraw/zinc/33/26/58/350332658.db2.gz GTYFORAZEYTVGE-INIZCTEOSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000606432854 350332642 /nfs/dbraw/zinc/33/26/42/350332642.db2.gz GTYFORAZEYTVGE-MRXNPFEDSA-N 1 0 229.367 3.678 20 0 BHADRO Cc1cccc(C)c1C[NH+]1Cc2ccccc2C1 ZINC000606433246 350337147 /nfs/dbraw/zinc/33/71/47/350337147.db2.gz DDZIAYRKVJNTDR-UHFFFAOYSA-N 1 0 237.346 3.819 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)CC1CCC1 ZINC000606433602 350336760 /nfs/dbraw/zinc/33/67/60/350336760.db2.gz MOEBGXDTNIZUEN-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO CCCC[N@H+](CCOC)Cc1c(C)cccc1C ZINC000606433610 350336543 /nfs/dbraw/zinc/33/65/43/350336543.db2.gz PSOILPGELCWJBU-UHFFFAOYSA-N 1 0 249.398 3.552 20 0 BHADRO CC[N@@H+](Cc1c(C)cccc1C)CC(C)C ZINC000606433686 350336563 /nfs/dbraw/zinc/33/65/63/350336563.db2.gz QHQRBSPLUCGSQM-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC[N@@H+](Cc1c(C)cccc1C)CC1CC1 ZINC000606433705 350336666 /nfs/dbraw/zinc/33/66/66/350336666.db2.gz XZIXYZJQQYVZDH-UHFFFAOYSA-N 1 0 217.356 3.535 20 0 BHADRO Cc1cccc(C)c1C[NH+](CC1CC1)CC1CC1 ZINC000606433791 350336514 /nfs/dbraw/zinc/33/65/14/350336514.db2.gz ZQVRDTSFCMMEMW-UHFFFAOYSA-N 1 0 243.394 3.925 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCOC(C)(C)C ZINC000606433877 350336931 /nfs/dbraw/zinc/33/69/31/350336931.db2.gz AUAHVFPQSCWOHV-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCOC(C)(C)C ZINC000606433878 350336552 /nfs/dbraw/zinc/33/65/52/350336552.db2.gz AUAHVFPQSCWOHV-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCOC(C)(C)C ZINC000606433879 350336960 /nfs/dbraw/zinc/33/69/60/350336960.db2.gz AUAHVFPQSCWOHV-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCOC(C)(C)C ZINC000606433880 350336504 /nfs/dbraw/zinc/33/65/04/350336504.db2.gz AUAHVFPQSCWOHV-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000606433905 350337183 /nfs/dbraw/zinc/33/71/83/350337183.db2.gz BVOFOBTZLYIYOJ-GDBMZVCRSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000606433906 350336509 /nfs/dbraw/zinc/33/65/09/350336509.db2.gz BVOFOBTZLYIYOJ-GOEBONIOSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000606433907 350336767 /nfs/dbraw/zinc/33/67/67/350336767.db2.gz BVOFOBTZLYIYOJ-HOCLYGCPSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCc1ccncc1 ZINC000606433908 350336989 /nfs/dbraw/zinc/33/69/89/350336989.db2.gz BVOFOBTZLYIYOJ-ZBFHGGJFSA-N 1 0 246.398 3.525 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000606433977 350336996 /nfs/dbraw/zinc/33/69/96/350336996.db2.gz FOWLDXVEJXDBDE-KKUMJFAQSA-N 1 0 221.388 3.996 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000606433978 350336776 /nfs/dbraw/zinc/33/67/76/350336776.db2.gz FOWLDXVEJXDBDE-RRFJBIMHSA-N 1 0 221.388 3.996 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000606433979 350336485 /nfs/dbraw/zinc/33/64/85/350336485.db2.gz FOWLDXVEJXDBDE-SOUVJXGZSA-N 1 0 221.388 3.996 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000606433980 350336674 /nfs/dbraw/zinc/33/66/74/350336674.db2.gz FOWLDXVEJXDBDE-ZNMIVQPWSA-N 1 0 221.388 3.996 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC=C(C)C ZINC000606434001 350337118 /nfs/dbraw/zinc/33/71/18/350337118.db2.gz GOADDQRVOZJKFS-KBPBESRZSA-N 1 0 209.377 3.853 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC=C(C)C ZINC000606434002 350336600 /nfs/dbraw/zinc/33/66/00/350336600.db2.gz GOADDQRVOZJKFS-KGLIPLIRSA-N 1 0 209.377 3.853 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC=C(C)C ZINC000606434003 350337014 /nfs/dbraw/zinc/33/70/14/350337014.db2.gz GOADDQRVOZJKFS-UONOGXRCSA-N 1 0 209.377 3.853 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC=C(C)C ZINC000606434004 350337004 /nfs/dbraw/zinc/33/70/04/350337004.db2.gz GOADDQRVOZJKFS-ZIAGYGMSSA-N 1 0 209.377 3.853 20 0 BHADRO CC[N@H+](Cc1cccc(OC(C)C)c1)C1CCC1 ZINC000606434457 350337696 /nfs/dbraw/zinc/33/76/96/350337696.db2.gz AQKAPVNSCUMAEA-UHFFFAOYSA-N 1 0 247.382 3.848 20 0 BHADRO CC[N@H+](Cc1c(C)cc(C)cc1C)C1CCC1 ZINC000606434485 350337397 /nfs/dbraw/zinc/33/73/97/350337397.db2.gz FOASMTSKMXYPIX-UHFFFAOYSA-N 1 0 231.383 3.986 20 0 BHADRO CC[N@H+](Cc1c(C)cccc1C)C1CCC1 ZINC000606434511 350337480 /nfs/dbraw/zinc/33/74/80/350337480.db2.gz JFDMNZIRQPTCCF-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CC[N@H+](CCOc1cc(C)cc(C)c1)C1CCC1 ZINC000606434584 350337308 /nfs/dbraw/zinc/33/73/08/350337308.db2.gz WCVZQIZMNRITCA-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](CCSc1ccccc1)C1CCC1 ZINC000606434588 350337823 /nfs/dbraw/zinc/33/78/23/350337823.db2.gz WVTFOMQEEFWRLL-UHFFFAOYSA-N 1 0 235.396 3.653 20 0 BHADRO CC[N@H+](CCOc1cc(C)ccc1C)C1CCC1 ZINC000606434908 350333153 /nfs/dbraw/zinc/33/31/53/350333153.db2.gz NUBACWXIIILEJZ-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000606435143 350333051 /nfs/dbraw/zinc/33/30/51/350333051.db2.gz JWYVDAPQWJBIFW-CABCVRRESA-N 1 0 231.383 3.973 20 0 BHADRO CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000606435144 350333199 /nfs/dbraw/zinc/33/31/99/350333199.db2.gz JWYVDAPQWJBIFW-GJZGRUSLSA-N 1 0 231.383 3.973 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000606435145 350333216 /nfs/dbraw/zinc/33/32/16/350333216.db2.gz JWYVDAPQWJBIFW-HUUCEWRRSA-N 1 0 231.383 3.973 20 0 BHADRO CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000606435146 350333016 /nfs/dbraw/zinc/33/30/16/350333016.db2.gz JWYVDAPQWJBIFW-LSDHHAIUSA-N 1 0 231.383 3.973 20 0 BHADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(C)C)C1 ZINC000606435221 350333257 /nfs/dbraw/zinc/33/32/57/350333257.db2.gz OEWPHONXUBCMKT-CABCVRRESA-N 1 0 231.383 3.829 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(C)C)C1 ZINC000606435222 350333027 /nfs/dbraw/zinc/33/30/27/350333027.db2.gz OEWPHONXUBCMKT-GJZGRUSLSA-N 1 0 231.383 3.829 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(C)C)C1 ZINC000606435223 350332975 /nfs/dbraw/zinc/33/29/75/350332975.db2.gz OEWPHONXUBCMKT-HUUCEWRRSA-N 1 0 231.383 3.829 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(C)C)C1 ZINC000606435224 350333059 /nfs/dbraw/zinc/33/30/59/350333059.db2.gz OEWPHONXUBCMKT-LSDHHAIUSA-N 1 0 231.383 3.829 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000606447049 350334257 /nfs/dbraw/zinc/33/42/57/350334257.db2.gz BXYVQIDGEMAVOU-DOTOQJQBSA-N 1 0 243.394 3.967 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000606447050 350334203 /nfs/dbraw/zinc/33/42/03/350334203.db2.gz BXYVQIDGEMAVOU-NVXWUHKLSA-N 1 0 243.394 3.967 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000606447051 350334277 /nfs/dbraw/zinc/33/42/77/350334277.db2.gz BXYVQIDGEMAVOU-RDJZCZTQSA-N 1 0 243.394 3.967 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)[C@H]2C=CCCC2)cc1 ZINC000606447052 350334300 /nfs/dbraw/zinc/33/43/00/350334300.db2.gz BXYVQIDGEMAVOU-WBVHZDCISA-N 1 0 243.394 3.967 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606447508 350338502 /nfs/dbraw/zinc/33/85/02/350338502.db2.gz ZVCUDARHUPAXON-AWEZNQCLSA-N 1 0 219.372 3.658 20 0 BHADRO CCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606447509 350338381 /nfs/dbraw/zinc/33/83/81/350338381.db2.gz ZVCUDARHUPAXON-CQSZACIVSA-N 1 0 219.372 3.658 20 0 BHADRO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000606448529 350338589 /nfs/dbraw/zinc/33/85/89/350338589.db2.gz AESWJDZIVKZXOX-DOMZBBRYSA-N 1 0 245.341 3.854 20 0 BHADRO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000606448530 350338351 /nfs/dbraw/zinc/33/83/51/350338351.db2.gz AESWJDZIVKZXOX-IUODEOHRSA-N 1 0 245.341 3.854 20 0 BHADRO C[C@H]1c2ccc(F)cc2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000606448531 350338515 /nfs/dbraw/zinc/33/85/15/350338515.db2.gz AESWJDZIVKZXOX-SWLSCSKDSA-N 1 0 245.341 3.854 20 0 BHADRO C[C@H]1c2ccc(F)cc2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000606448532 350338571 /nfs/dbraw/zinc/33/85/71/350338571.db2.gz AESWJDZIVKZXOX-WFASDCNBSA-N 1 0 245.341 3.854 20 0 BHADRO CCCCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606448891 350338656 /nfs/dbraw/zinc/33/86/56/350338656.db2.gz JEUVBEWUEJAWIB-GFCCVEGCSA-N 1 0 235.346 3.935 20 0 BHADRO CCCCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448892 350339165 /nfs/dbraw/zinc/33/91/65/350339165.db2.gz JEUVBEWUEJAWIB-LBPRGKRZSA-N 1 0 235.346 3.935 20 0 BHADRO CCCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449137 350338932 /nfs/dbraw/zinc/33/89/32/350338932.db2.gz OJCSBJSIWQPNHM-LLVKDONJSA-N 1 0 221.319 3.545 20 0 BHADRO CCCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449138 350338917 /nfs/dbraw/zinc/33/89/17/350338917.db2.gz OJCSBJSIWQPNHM-NSHDSACASA-N 1 0 221.319 3.545 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449471 350339232 /nfs/dbraw/zinc/33/92/32/350339232.db2.gz XHBOFTJQDWCHKV-GFCCVEGCSA-N 1 0 233.330 3.711 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449472 350339291 /nfs/dbraw/zinc/33/92/91/350339291.db2.gz XHBOFTJQDWCHKV-LBPRGKRZSA-N 1 0 233.330 3.711 20 0 BHADRO CC(C)CC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606449575 350338996 /nfs/dbraw/zinc/33/89/96/350338996.db2.gz YYNZLDVYMLPKMY-GFCCVEGCSA-N 1 0 235.346 3.791 20 0 BHADRO CC(C)CC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449576 350339008 /nfs/dbraw/zinc/33/90/08/350339008.db2.gz YYNZLDVYMLPKMY-LBPRGKRZSA-N 1 0 235.346 3.791 20 0 BHADRO Cc1cc(C)c(C[N@H+]2CCSC[C@@H]2C)c(C)c1 ZINC000606451807 350340261 /nfs/dbraw/zinc/34/02/61/350340261.db2.gz WWXVOSUBIGADSW-AWEZNQCLSA-N 1 0 249.423 3.549 20 0 BHADRO Cc1cc(C)c(C[N@H+]2CCSC[C@H]2C)c(C)c1 ZINC000606451808 350340174 /nfs/dbraw/zinc/34/01/74/350340174.db2.gz WWXVOSUBIGADSW-CQSZACIVSA-N 1 0 249.423 3.549 20 0 BHADRO C(C1CCCC1)[NH+]1CCC2(CCCC2)CC1 ZINC000606454081 350340046 /nfs/dbraw/zinc/34/00/46/350340046.db2.gz ZJFRCVYKUDGTFF-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO C1=C[C@H]([NH+]2CCC3(CCCC3)CC2)CCC1 ZINC000606454105 350340253 /nfs/dbraw/zinc/34/02/53/350340253.db2.gz YYITYUYIOYIMMC-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([NH+]2CCC3(CCCC3)CC2)CCC1 ZINC000606454106 350340295 /nfs/dbraw/zinc/34/02/95/350340295.db2.gz YYITYUYIOYIMMC-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO CCCCC[NH2+]Cc1cccn1CCC(C)C ZINC000606468945 350340926 /nfs/dbraw/zinc/34/09/26/350340926.db2.gz PFIFERWFYTUMLI-UHFFFAOYSA-N 1 0 236.403 3.814 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]CC1CCCC1 ZINC000606469175 350340730 /nfs/dbraw/zinc/34/07/30/350340730.db2.gz CPZGUAUSFQUFIQ-UHFFFAOYSA-N 1 0 248.414 3.814 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]C[C@H](C)C1CC1 ZINC000606469516 350340755 /nfs/dbraw/zinc/34/07/55/350340755.db2.gz SAZONERNYVPJRI-AWEZNQCLSA-N 1 0 248.414 3.670 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]C[C@@H](C)C1CC1 ZINC000606469517 350340924 /nfs/dbraw/zinc/34/09/24/350340924.db2.gz SAZONERNYVPJRI-CQSZACIVSA-N 1 0 248.414 3.670 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]C[C@@H]1CC1(C)C ZINC000606470037 350341624 /nfs/dbraw/zinc/34/16/24/350341624.db2.gz JFZTWUYSGLGBOI-AWEZNQCLSA-N 1 0 248.414 3.670 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]C[C@H]1CC1(C)C ZINC000606470038 350341565 /nfs/dbraw/zinc/34/15/65/350341565.db2.gz JFZTWUYSGLGBOI-CQSZACIVSA-N 1 0 248.414 3.670 20 0 BHADRO CC(C)CCn1cccc1C[NH2+]CCCC1CC1 ZINC000606470443 350340820 /nfs/dbraw/zinc/34/08/20/350340820.db2.gz SEUITSVHCPMLAT-UHFFFAOYSA-N 1 0 248.414 3.814 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2)cc1 ZINC000606471469 350344469 /nfs/dbraw/zinc/34/44/69/350344469.db2.gz LHABVCMNMRIDBM-HNNXBMFYSA-N 1 0 239.362 3.888 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2)cc1 ZINC000606471470 350344939 /nfs/dbraw/zinc/34/49/39/350344939.db2.gz LHABVCMNMRIDBM-OAHLLOKOSA-N 1 0 239.362 3.888 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[NH+]1C2CCC1CC2 ZINC000606539382 350358685 /nfs/dbraw/zinc/35/86/85/350358685.db2.gz NMJRDAXQEYSIGP-NRXISQOPSA-N 1 0 233.330 3.904 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[NH+]1C2CCC1CC2 ZINC000606539383 350359018 /nfs/dbraw/zinc/35/90/18/350359018.db2.gz NMJRDAXQEYSIGP-YMAMQOFZSA-N 1 0 233.330 3.904 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH+]1C2CCC1CC2 ZINC000606539420 350359026 /nfs/dbraw/zinc/35/90/26/350359026.db2.gz UNJCMGUJXSSPRU-XUJLQICISA-N 1 0 227.351 3.691 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH+]1C2CCC1CC2 ZINC000606539421 350358837 /nfs/dbraw/zinc/35/88/37/350358837.db2.gz UNJCMGUJXSSPRU-ZBCRRDGASA-N 1 0 227.351 3.691 20 0 BHADRO CC(C)=CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606896957 350621218 /nfs/dbraw/zinc/62/12/18/350621218.db2.gz TXGZQHLOFLVOLC-UHFFFAOYSA-N 1 0 235.758 3.664 20 0 BHADRO CC(C)CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897222 350622789 /nfs/dbraw/zinc/62/27/89/350622789.db2.gz SUFGLWNQHFDSKT-UHFFFAOYSA-N 1 0 237.774 3.744 20 0 BHADRO CCCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897572 350622154 /nfs/dbraw/zinc/62/21/54/350622154.db2.gz QCCVQNIYPSLDQL-UHFFFAOYSA-N 1 0 237.774 3.888 20 0 BHADRO CCc1ccc([C@H]2CCCCC[N@H+]2CC)o1 ZINC000606899071 350626358 /nfs/dbraw/zinc/62/63/58/350626358.db2.gz GOJJRRBKWDXPFL-CYBMUJFWSA-N 1 0 221.344 3.779 20 0 BHADRO CCc1ccc([C@@H]2CCCCC[N@H+]2CC)o1 ZINC000606899081 350626295 /nfs/dbraw/zinc/62/62/95/350626295.db2.gz GOJJRRBKWDXPFL-ZDUSSCGKSA-N 1 0 221.344 3.779 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1ccccc1F ZINC000606901052 350626808 /nfs/dbraw/zinc/62/68/08/350626808.db2.gz XJHIULBYIZXWNM-AWEZNQCLSA-N 1 0 235.346 3.980 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1F ZINC000606901053 350627148 /nfs/dbraw/zinc/62/71/48/350627148.db2.gz XJHIULBYIZXWNM-CQSZACIVSA-N 1 0 235.346 3.980 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000606901117 350627022 /nfs/dbraw/zinc/62/70/22/350627022.db2.gz BZNQTVKRDJQWCB-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000606901118 350626874 /nfs/dbraw/zinc/62/68/74/350626874.db2.gz BZNQTVKRDJQWCB-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC000606901139 350627184 /nfs/dbraw/zinc/62/71/84/350627184.db2.gz FPXAQHQIVWZNEH-HNNXBMFYSA-N 1 0 235.346 3.980 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC000606901140 350627014 /nfs/dbraw/zinc/62/70/14/350627014.db2.gz FPXAQHQIVWZNEH-OAHLLOKOSA-N 1 0 235.346 3.980 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000606934877 350629447 /nfs/dbraw/zinc/62/94/47/350629447.db2.gz CDNASZWUEJOEKZ-CABCVRRESA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000606934878 350629882 /nfs/dbraw/zinc/62/98/82/350629882.db2.gz CDNASZWUEJOEKZ-GJZGRUSLSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000606934879 350629439 /nfs/dbraw/zinc/62/94/39/350629439.db2.gz CDNASZWUEJOEKZ-HUUCEWRRSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCOC(C)C ZINC000606934880 350629634 /nfs/dbraw/zinc/62/96/34/350629634.db2.gz CDNASZWUEJOEKZ-LSDHHAIUSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCOCCC(C)C ZINC000606936201 350629416 /nfs/dbraw/zinc/62/94/16/350629416.db2.gz FQGOXCIGOVIXSW-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCOCCC(C)C ZINC000606936203 350629655 /nfs/dbraw/zinc/62/96/55/350629655.db2.gz FQGOXCIGOVIXSW-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000606936850 350629731 /nfs/dbraw/zinc/62/97/31/350629731.db2.gz OUVGNBZIZIQWIX-HNNXBMFYSA-N 1 0 247.382 3.850 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000606936851 350629376 /nfs/dbraw/zinc/62/93/76/350629376.db2.gz OUVGNBZIZIQWIX-OAHLLOKOSA-N 1 0 247.382 3.850 20 0 BHADRO Clc1ccc(CCC[NH+]2CCCCC2)cc1 ZINC000607150462 351029388 /nfs/dbraw/zinc/02/93/88/351029388.db2.gz YGVZEUPFTARWCH-UHFFFAOYSA-N 1 0 237.774 3.759 20 0 BHADRO C[N@H+](CCOC1CCCCCC1)C1CCCC1 ZINC000607150553 351029358 /nfs/dbraw/zinc/02/93/58/351029358.db2.gz WSHTYHAGIJXDLS-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO FC(F)(F)CC[N@H+](C1CC1)C1CCCCC1 ZINC000607150809 351029399 /nfs/dbraw/zinc/02/93/99/351029399.db2.gz WQBLWRKNOOSITG-UHFFFAOYSA-N 1 0 235.293 3.736 20 0 BHADRO CC1CCC([N@H+](CCC(F)(F)F)C2CC2)CC1 ZINC000607150846 351029483 /nfs/dbraw/zinc/02/94/83/351029483.db2.gz CSSVCJMZICDETR-UHFFFAOYSA-N 1 0 249.320 3.982 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000607151109 351029591 /nfs/dbraw/zinc/02/95/91/351029591.db2.gz ZOTZOEAWCSWAOG-LLVKDONJSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000607151110 351029541 /nfs/dbraw/zinc/02/95/41/351029541.db2.gz ZOTZOEAWCSWAOG-NSHDSACASA-N 1 0 235.293 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCOC1CCCCCC1 ZINC000607151119 351029613 /nfs/dbraw/zinc/02/96/13/351029613.db2.gz DDTXDZDQNQFXAF-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCOC1CCCCCC1 ZINC000607151120 351029735 /nfs/dbraw/zinc/02/97/35/351029735.db2.gz DDTXDZDQNQFXAF-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)C[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000607151283 351029408 /nfs/dbraw/zinc/02/94/08/351029408.db2.gz VUPVVCSHCKXZBQ-UHFFFAOYSA-N 1 0 239.790 3.860 20 0 BHADRO FC(F)(F)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000607151462 351029537 /nfs/dbraw/zinc/02/95/37/351029537.db2.gz HDABLFBISZETFN-UHFFFAOYSA-N 1 0 249.320 3.985 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000607152425 351030427 /nfs/dbraw/zinc/03/04/27/351030427.db2.gz LVDBSOPHBCRRQJ-UHFFFAOYSA-N 1 0 249.320 3.985 20 0 BHADRO CC[C@H](C)C[N@H+](C)CCOC1CCCCCC1 ZINC000607152426 351030908 /nfs/dbraw/zinc/03/09/08/351030908.db2.gz LVEFSXGIEIHYOI-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CCOC1CCCCCC1 ZINC000607152427 351030374 /nfs/dbraw/zinc/03/03/74/351030374.db2.gz LVEFSXGIEIHYOI-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](CCOC1CCCCCC1)CC(C)C ZINC000607152797 351030981 /nfs/dbraw/zinc/03/09/81/351030981.db2.gz SQTRFXKYTQEAAW-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000607152863 351030233 /nfs/dbraw/zinc/03/02/33/351030233.db2.gz ZUEDUNNYSKXKAX-GRYCIOLGSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC000607152864 351030287 /nfs/dbraw/zinc/03/02/87/351030287.db2.gz ZUEDUNNYSKXKAX-IJLUTSLNSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@H]2CCCC[C@H]12 ZINC000607152865 351030771 /nfs/dbraw/zinc/03/07/71/351030771.db2.gz ZUEDUNNYSKXKAX-UTUOFQBUSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC000607152866 351031006 /nfs/dbraw/zinc/03/10/06/351031006.db2.gz ZUEDUNNYSKXKAX-WOPDTQHZSA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000607154202 351030320 /nfs/dbraw/zinc/03/03/20/351030320.db2.gz DVFGKSLNKJIRCF-KBPBESRZSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000607154203 351031014 /nfs/dbraw/zinc/03/10/14/351031014.db2.gz DVFGKSLNKJIRCF-KGLIPLIRSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000607154204 351030611 /nfs/dbraw/zinc/03/06/11/351030611.db2.gz DVFGKSLNKJIRCF-UONOGXRCSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000607154205 351030795 /nfs/dbraw/zinc/03/07/95/351030795.db2.gz DVFGKSLNKJIRCF-ZIAGYGMSSA-N 1 0 247.382 3.704 20 0 BHADRO CCc1ccc(CC[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000607154218 351030791 /nfs/dbraw/zinc/03/07/91/351030791.db2.gz GNKUCPDEVOTGKF-KBPBESRZSA-N 1 0 231.383 3.522 20 0 BHADRO CCc1ccc(CC[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000607154219 351030384 /nfs/dbraw/zinc/03/03/84/351030384.db2.gz GNKUCPDEVOTGKF-KGLIPLIRSA-N 1 0 231.383 3.522 20 0 BHADRO CCc1ccc(CC[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000607154220 351030782 /nfs/dbraw/zinc/03/07/82/351030782.db2.gz GNKUCPDEVOTGKF-UONOGXRCSA-N 1 0 231.383 3.522 20 0 BHADRO CCc1ccc(CC[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000607154221 351030951 /nfs/dbraw/zinc/03/09/51/351030951.db2.gz GNKUCPDEVOTGKF-ZIAGYGMSSA-N 1 0 231.383 3.522 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000607155060 351031659 /nfs/dbraw/zinc/03/16/59/351031659.db2.gz IEDOFCACCXRSSX-GHMZBOCLSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000607155061 351031477 /nfs/dbraw/zinc/03/14/77/351031477.db2.gz IEDOFCACCXRSSX-MNOVXSKESA-N 1 0 223.747 3.570 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000607155062 351031908 /nfs/dbraw/zinc/03/19/08/351031908.db2.gz IEDOFCACCXRSSX-QWRGUYRKSA-N 1 0 223.747 3.570 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(Cl)c1 ZINC000607155063 351031889 /nfs/dbraw/zinc/03/18/89/351031889.db2.gz IEDOFCACCXRSSX-WDEREUQCSA-N 1 0 223.747 3.570 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000607155072 351031579 /nfs/dbraw/zinc/03/15/79/351031579.db2.gz INOOVAKFSJKSNL-GXTWGEPZSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000607155073 351031764 /nfs/dbraw/zinc/03/17/64/351031764.db2.gz INOOVAKFSJKSNL-JSGCOSHPSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000607155074 351032087 /nfs/dbraw/zinc/03/20/87/351032087.db2.gz INOOVAKFSJKSNL-OCCSQVGLSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000607155075 351031990 /nfs/dbraw/zinc/03/19/90/351031990.db2.gz INOOVAKFSJKSNL-TZMCWYRMSA-N 1 0 217.356 3.534 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c(C)s1 ZINC000607155537 351033028 /nfs/dbraw/zinc/03/30/28/351033028.db2.gz RYPYBCRQZRDISA-NXEZZACHSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000607155553 351032656 /nfs/dbraw/zinc/03/26/56/351032656.db2.gz RYPYBCRQZRDISA-UWVGGRQHSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(C)s1 ZINC000607155554 351033119 /nfs/dbraw/zinc/03/31/19/351033119.db2.gz RYPYBCRQZRDISA-VHSXEESVSA-N 1 0 223.385 3.595 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(C)s1 ZINC000607155555 351032549 /nfs/dbraw/zinc/03/25/49/351032549.db2.gz RYPYBCRQZRDISA-ZJUUUORDSA-N 1 0 223.385 3.595 20 0 BHADRO CC(C)[N@H+](CC1CCCCC1)C1CCC1 ZINC000607155951 351032809 /nfs/dbraw/zinc/03/28/09/351032809.db2.gz RERBLWYVFPAWEF-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000607156280 351033072 /nfs/dbraw/zinc/03/30/72/351033072.db2.gz LJYCTMPQOFTBBL-UHFFFAOYSA-N 1 0 217.356 3.678 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(F)F ZINC000607156921 351028023 /nfs/dbraw/zinc/02/80/23/351028023.db2.gz HRFPQBAVQIXNGA-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(F)F ZINC000607156922 351028184 /nfs/dbraw/zinc/02/81/84/351028184.db2.gz HRFPQBAVQIXNGA-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO CO[C@@H](C)C[N@H+](C[C@@H](C)c1ccccc1)C(C)C ZINC000607157391 351028275 /nfs/dbraw/zinc/02/82/75/351028275.db2.gz UAMWELGASVGOCD-CABCVRRESA-N 1 0 249.398 3.535 20 0 BHADRO CO[C@@H](C)C[N@H+](C[C@H](C)c1ccccc1)C(C)C ZINC000607157392 351028035 /nfs/dbraw/zinc/02/80/35/351028035.db2.gz UAMWELGASVGOCD-GJZGRUSLSA-N 1 0 249.398 3.535 20 0 BHADRO CO[C@H](C)C[N@H+](C[C@@H](C)c1ccccc1)C(C)C ZINC000607157393 351028103 /nfs/dbraw/zinc/02/81/03/351028103.db2.gz UAMWELGASVGOCD-HUUCEWRRSA-N 1 0 249.398 3.535 20 0 BHADRO CO[C@H](C)C[N@H+](C[C@H](C)c1ccccc1)C(C)C ZINC000607157394 351028202 /nfs/dbraw/zinc/02/82/02/351028202.db2.gz UAMWELGASVGOCD-LSDHHAIUSA-N 1 0 249.398 3.535 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1c(C)cccc1C)C(C)C ZINC000607157471 351028280 /nfs/dbraw/zinc/02/82/80/351028280.db2.gz XYTNJNSCNLNLGL-HNNXBMFYSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1c(C)cccc1C)C(C)C ZINC000607157472 351028075 /nfs/dbraw/zinc/02/80/75/351028075.db2.gz XYTNJNSCNLNLGL-OAHLLOKOSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@@H](C)C[N@H+](Cc1cc(C)ccc1C)C(C)C ZINC000607157565 351028087 /nfs/dbraw/zinc/02/80/87/351028087.db2.gz MEJZIIIJQAUZAE-HNNXBMFYSA-N 1 0 249.398 3.549 20 0 BHADRO CO[C@H](C)C[N@H+](Cc1cc(C)ccc1C)C(C)C ZINC000607157566 351028271 /nfs/dbraw/zinc/02/82/71/351028271.db2.gz MEJZIIIJQAUZAE-OAHLLOKOSA-N 1 0 249.398 3.549 20 0 BHADRO c1ccc2c(c1)ccnc2C[NH2+]CCCC1CC1 ZINC000607167421 351028806 /nfs/dbraw/zinc/02/88/06/351028806.db2.gz UADGOPDSEBPLNE-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000607192406 351064265 /nfs/dbraw/zinc/06/42/65/351064265.db2.gz GPCOZDOZFVKMGP-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000607192407 351064122 /nfs/dbraw/zinc/06/41/22/351064122.db2.gz GPCOZDOZFVKMGP-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO CCOCC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000607358277 351333499 /nfs/dbraw/zinc/33/34/99/351333499.db2.gz IOIQLDGBJNAZPI-UHFFFAOYSA-N 1 0 249.398 3.671 20 0 BHADRO CN(C)c1cccc(C[N@H+](C)C2CCCCC2)c1 ZINC000607723856 342780299 /nfs/dbraw/zinc/78/02/99/342780299.db2.gz QEXFRIGRXHVZHF-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO c1ccc2c(c1)CC[N@@H+](CCC1CCCC1)C2 ZINC000607725051 342781948 /nfs/dbraw/zinc/78/19/48/342781948.db2.gz BNAAESZYHCTOHU-UHFFFAOYSA-N 1 0 229.367 3.625 20 0 BHADRO C[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000607725054 342781856 /nfs/dbraw/zinc/78/18/56/342781856.db2.gz CRJCTQDGUBIASJ-HNNXBMFYSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000607725055 342781966 /nfs/dbraw/zinc/78/19/66/342781966.db2.gz CRJCTQDGUBIASJ-OAHLLOKOSA-N 1 0 247.382 3.578 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCC2CCCC2)C1 ZINC000607725085 342781900 /nfs/dbraw/zinc/78/19/00/342781900.db2.gz NJYSAUULHDQAHF-BETUJISGSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](CCC2CCCC2)C1 ZINC000607725086 342781810 /nfs/dbraw/zinc/78/18/10/342781810.db2.gz NJYSAUULHDQAHF-CHWSQXEVSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](CCC2CCCC2)C1 ZINC000607725087 342781973 /nfs/dbraw/zinc/78/19/73/342781973.db2.gz NJYSAUULHDQAHF-STQMWFEESA-N 1 0 209.377 3.545 20 0 BHADRO C[N@H+](CCC1CCCC1)Cc1cccc(F)c1 ZINC000607725146 342781954 /nfs/dbraw/zinc/78/19/54/342781954.db2.gz JDHPWQQDBBYRKP-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO COc1ccccc1C[N@H+](C)CCC1CCCC1 ZINC000607725158 342781850 /nfs/dbraw/zinc/78/18/50/342781850.db2.gz MFXDWMREYLFZIQ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO COc1cccc(C[N@H+](C)CCC2CCCC2)c1 ZINC000607725192 342782009 /nfs/dbraw/zinc/78/20/09/342782009.db2.gz WQQNEDZYLMRWFX-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCOCCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000607725264 342781878 /nfs/dbraw/zinc/78/18/78/342781878.db2.gz JKFPICMTXJWUNI-UHFFFAOYSA-N 1 0 249.398 3.668 20 0 BHADRO CCOCCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000607725527 342782269 /nfs/dbraw/zinc/78/22/69/342782269.db2.gz CYFGQTGOFAQBIV-HNNXBMFYSA-N 1 0 249.398 3.714 20 0 BHADRO CCOCCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000607725528 342782157 /nfs/dbraw/zinc/78/21/57/342782157.db2.gz CYFGQTGOFAQBIV-OAHLLOKOSA-N 1 0 249.398 3.714 20 0 BHADRO CCCC[N@H+](CC)CCCc1cccc(OC)c1 ZINC000607726215 342782205 /nfs/dbraw/zinc/78/22/05/342782205.db2.gz BBGXUFQINJYUKX-UHFFFAOYSA-N 1 0 249.398 3.750 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000607726469 342782199 /nfs/dbraw/zinc/78/21/99/342782199.db2.gz ANMMPUALNOXWMW-CYBMUJFWSA-N 1 0 209.377 3.689 20 0 BHADRO CC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000607726470 342782245 /nfs/dbraw/zinc/78/22/45/342782245.db2.gz ANMMPUALNOXWMW-ZDUSSCGKSA-N 1 0 209.377 3.689 20 0 BHADRO CCCC[N@H+](CCC1CCCC1)C1CC1 ZINC000607726547 342782182 /nfs/dbraw/zinc/78/21/82/342782182.db2.gz PQYPEHPFVCPATJ-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCc1cccc(OC)c1 ZINC000607726649 342782211 /nfs/dbraw/zinc/78/22/11/342782211.db2.gz JJDMQTJWHSHXSU-AWEZNQCLSA-N 1 0 249.398 3.748 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCc1cccc(OC)c1 ZINC000607726650 342782192 /nfs/dbraw/zinc/78/21/92/342782192.db2.gz JJDMQTJWHSHXSU-CQSZACIVSA-N 1 0 249.398 3.748 20 0 BHADRO C[N@@H+](CCc1ccccc1)CCC1CCCC1 ZINC000607726891 342782410 /nfs/dbraw/zinc/78/24/10/342782410.db2.gz FPKKDSPPWOZTBN-UHFFFAOYSA-N 1 0 231.383 3.741 20 0 BHADRO CCC1CC[NH+](CCC2CCCC2)CC1 ZINC000607727172 342782603 /nfs/dbraw/zinc/78/26/03/342782603.db2.gz KYJHJPSZNINGEH-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO COc1cccc(CCC[N@H+](C)CCC(C)C)c1 ZINC000607727193 342782469 /nfs/dbraw/zinc/78/24/69/342782469.db2.gz LRPYFWMJUUYELR-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC(C)CC[N@H+](C)CCCCOc1ccccc1 ZINC000607727243 342782437 /nfs/dbraw/zinc/78/24/37/342782437.db2.gz SBHGETGFZXLUIT-UHFFFAOYSA-N 1 0 249.398 3.824 20 0 BHADRO CCOCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000607727360 342782618 /nfs/dbraw/zinc/78/26/18/342782618.db2.gz LZFSJUHKJQFPIR-HNNXBMFYSA-N 1 0 249.398 3.723 20 0 BHADRO CCOCCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000607727361 342782449 /nfs/dbraw/zinc/78/24/49/342782449.db2.gz LZFSJUHKJQFPIR-OAHLLOKOSA-N 1 0 249.398 3.723 20 0 BHADRO CCOCCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000607727362 342782465 /nfs/dbraw/zinc/78/24/65/342782465.db2.gz MITLNGUSHJETKV-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CCOCCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000607727363 342782639 /nfs/dbraw/zinc/78/26/39/342782639.db2.gz MITLNGUSHJETKV-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO CCC[N@H+](CCCOCC)CC1CCCCC1 ZINC000607727484 342782833 /nfs/dbraw/zinc/78/28/33/342782833.db2.gz KFVCBTXAGNYMKB-UHFFFAOYSA-N 1 0 241.419 3.705 20 0 BHADRO C[N@@H+](CCc1ccc(F)cc1)CCC1CCCC1 ZINC000607727601 342782854 /nfs/dbraw/zinc/78/28/54/342782854.db2.gz ZVSXVLKASRPOLZ-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO CCOCCC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000607727891 342782800 /nfs/dbraw/zinc/78/28/00/342782800.db2.gz CKSIBAOFBODCQR-INIZCTEOSA-N 1 0 249.398 3.886 20 0 BHADRO CCOCCC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000607727892 342782891 /nfs/dbraw/zinc/78/28/91/342782891.db2.gz CKSIBAOFBODCQR-MRXNPFEDSA-N 1 0 249.398 3.886 20 0 BHADRO CC[N@H+](CCC1CCCC1)Cc1ccoc1 ZINC000607728955 342783736 /nfs/dbraw/zinc/78/37/36/342783736.db2.gz VYMUBLCVYDKJSX-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO CCC(CC)[N@H+](CCOC)CCC1CCCC1 ZINC000607729107 342783982 /nfs/dbraw/zinc/78/39/82/342783982.db2.gz FHFGNIWFPNBNDY-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO COc1cccc(CCC[N@@H+]2CCCC2(C)C)c1 ZINC000607729108 342783873 /nfs/dbraw/zinc/78/38/73/342783873.db2.gz GCXFUIMTSAJVSU-UHFFFAOYSA-N 1 0 247.382 3.502 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC1CCCC1 ZINC000607729311 342783949 /nfs/dbraw/zinc/78/39/49/342783949.db2.gz PGWXMIQBSKTYNU-CHWSQXEVSA-N 1 0 209.377 3.830 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCC1CCCC1 ZINC000607729312 342784157 /nfs/dbraw/zinc/78/41/57/342784157.db2.gz PGWXMIQBSKTYNU-STQMWFEESA-N 1 0 209.377 3.830 20 0 BHADRO c1coc([C@H]2CC[N@@H+](CCC3CCCC3)C2)c1 ZINC000607731542 342783136 /nfs/dbraw/zinc/78/31/36/342783136.db2.gz BKOFKVJHGCWIPR-AWEZNQCLSA-N 1 0 233.355 3.649 20 0 BHADRO c1coc([C@@H]2CC[N@@H+](CCC3CCCC3)C2)c1 ZINC000607731547 342783172 /nfs/dbraw/zinc/78/31/72/342783172.db2.gz BKOFKVJHGCWIPR-CQSZACIVSA-N 1 0 233.355 3.649 20 0 BHADRO CCOCCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000607732165 342783513 /nfs/dbraw/zinc/78/35/13/342783513.db2.gz VURXEMYSOOCYGI-INIZCTEOSA-N 1 0 249.398 3.742 20 0 BHADRO CCOCCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000607732166 342783341 /nfs/dbraw/zinc/78/33/41/342783341.db2.gz VURXEMYSOOCYGI-MRXNPFEDSA-N 1 0 249.398 3.742 20 0 BHADRO CCC[N@H+](CCCOCC)Cc1ccc(C)cc1 ZINC000607732227 342783378 /nfs/dbraw/zinc/78/33/78/342783378.db2.gz AAQKTBZPQPNWFQ-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)[C@@H](C)C(C)C ZINC000607732877 342783450 /nfs/dbraw/zinc/78/34/50/342783450.db2.gz ZIFISWPFQJAVMO-HNNXBMFYSA-N 1 0 233.399 3.904 20 0 BHADRO CC[N@H+](CCc1ccc(C)cc1)[C@H](C)C(C)C ZINC000607732878 342783479 /nfs/dbraw/zinc/78/34/79/342783479.db2.gz ZIFISWPFQJAVMO-OAHLLOKOSA-N 1 0 233.399 3.904 20 0 BHADRO C(C[NH+](CC1CC1)CC1CC1)C1CCCC1 ZINC000607734690 342783185 /nfs/dbraw/zinc/78/31/85/342783185.db2.gz YOQVBXMNZSSXIA-UHFFFAOYSA-N 1 0 221.388 3.689 20 0 BHADRO CCOCCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000607734869 342785924 /nfs/dbraw/zinc/78/59/24/342785924.db2.gz UDPREROBSJNJMZ-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCOCCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000607734870 342785956 /nfs/dbraw/zinc/78/59/56/342785956.db2.gz UDPREROBSJNJMZ-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CCOCCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000607735531 342784872 /nfs/dbraw/zinc/78/48/72/342784872.db2.gz ILFGPBZYTAVFCI-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCOCCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000607735532 342784639 /nfs/dbraw/zinc/78/46/39/342784639.db2.gz ILFGPBZYTAVFCI-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1cccc([C@H]2CCCN2CC(F)F)c1C ZINC000607735966 342784953 /nfs/dbraw/zinc/78/49/53/342784953.db2.gz RNRNLJKSKFSTEH-CYBMUJFWSA-N 1 0 239.309 3.705 20 0 BHADRO Cc1cccc([C@@H]2CCCN2CC(F)F)c1C ZINC000607735967 342784647 /nfs/dbraw/zinc/78/46/47/342784647.db2.gz RNRNLJKSKFSTEH-ZDUSSCGKSA-N 1 0 239.309 3.705 20 0 BHADRO c1ccc(C[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000607739844 342786202 /nfs/dbraw/zinc/78/62/02/342786202.db2.gz FRMCWNXJKLOEDF-KRWDZBQOSA-N 1 0 243.394 3.741 20 0 BHADRO c1ccc(C[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000607739845 342786200 /nfs/dbraw/zinc/78/62/00/342786200.db2.gz FRMCWNXJKLOEDF-QGZVFWFLSA-N 1 0 243.394 3.741 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000607740226 342786240 /nfs/dbraw/zinc/78/62/40/342786240.db2.gz BDDRHFAQJSRLCS-CABCVRRESA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000607740227 342786207 /nfs/dbraw/zinc/78/62/07/342786207.db2.gz BDDRHFAQJSRLCS-GJZGRUSLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000607740228 342786183 /nfs/dbraw/zinc/78/61/83/342786183.db2.gz BDDRHFAQJSRLCS-HUUCEWRRSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC000607740229 342786192 /nfs/dbraw/zinc/78/61/92/342786192.db2.gz BDDRHFAQJSRLCS-LSDHHAIUSA-N 1 0 231.383 3.658 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000607740360 342786226 /nfs/dbraw/zinc/78/62/26/342786226.db2.gz NKBYKTFPBGANQU-KFWWJZLASA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C)c1ccccc1 ZINC000607740361 342786158 /nfs/dbraw/zinc/78/61/58/342786158.db2.gz NKBYKTFPBGANQU-RBSFLKMASA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C)c1ccccc1 ZINC000607740362 342786221 /nfs/dbraw/zinc/78/62/21/342786221.db2.gz NKBYKTFPBGANQU-RRFJBIMHSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C)c1ccccc1 ZINC000607740363 342786243 /nfs/dbraw/zinc/78/62/43/342786243.db2.gz NKBYKTFPBGANQU-ZNMIVQPWSA-N 1 0 231.383 3.911 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000607740376 342786319 /nfs/dbraw/zinc/78/63/19/342786319.db2.gz OLIZJMAPPJFUAI-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000607740377 342786337 /nfs/dbraw/zinc/78/63/37/342786337.db2.gz OLIZJMAPPJFUAI-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000607740378 342786150 /nfs/dbraw/zinc/78/61/50/342786150.db2.gz OLIZJMAPPJFUAI-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC000607740379 342786178 /nfs/dbraw/zinc/78/61/78/342786178.db2.gz OLIZJMAPPJFUAI-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCOc2ccccc2)[C@H]1C ZINC000607740406 342786214 /nfs/dbraw/zinc/78/62/14/342786214.db2.gz RAJBWNVQCCGVGL-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CCC[N@H+](CCCOc2ccccc2)[C@H]1C ZINC000607740407 342786172 /nfs/dbraw/zinc/78/61/72/342786172.db2.gz RAJBWNVQCCGVGL-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[N@H+](CCCOc2ccccc2)[C@@H]1C ZINC000607740408 342786344 /nfs/dbraw/zinc/78/63/44/342786344.db2.gz RAJBWNVQCCGVGL-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccccc1 ZINC000607740409 342786233 /nfs/dbraw/zinc/78/62/33/342786233.db2.gz RAJBWNVQCCGVGL-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@H]1C ZINC000607740436 342786305 /nfs/dbraw/zinc/78/63/05/342786305.db2.gz SYWAMDJRLXEPGS-CYSMCQCQSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@@H]1C ZINC000607740437 342786278 /nfs/dbraw/zinc/78/62/78/342786278.db2.gz SYWAMDJRLXEPGS-LNVAGALZSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@H]1C ZINC000607740438 342786145 /nfs/dbraw/zinc/78/61/45/342786145.db2.gz SYWAMDJRLXEPGS-PHACEPHWSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@@H]1C ZINC000607740439 342786216 /nfs/dbraw/zinc/78/62/16/342786216.db2.gz SYWAMDJRLXEPGS-SNVZYIDKSA-N 1 0 229.367 3.820 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000607741039 342786589 /nfs/dbraw/zinc/78/65/89/342786589.db2.gz LWKGZNFPKBMRPN-NEPJUHHUSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000607741040 342786481 /nfs/dbraw/zinc/78/64/81/342786481.db2.gz LWKGZNFPKBMRPN-NWDGAFQWSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000607741041 342786723 /nfs/dbraw/zinc/78/67/23/342786723.db2.gz LWKGZNFPKBMRPN-RYUDHWBXSA-N 1 0 237.774 3.960 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC000607741042 342786676 /nfs/dbraw/zinc/78/66/76/342786676.db2.gz LWKGZNFPKBMRPN-VXGBXAGGSA-N 1 0 237.774 3.960 20 0 BHADRO CCOCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000607741625 342786471 /nfs/dbraw/zinc/78/64/71/342786471.db2.gz CVYUAWYCUGBUOF-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO CCOCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000607741626 342786581 /nfs/dbraw/zinc/78/65/81/342786581.db2.gz CVYUAWYCUGBUOF-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC000607742515 342787006 /nfs/dbraw/zinc/78/70/06/342787006.db2.gz JWTPAEFUHJRFOO-CHWSQXEVSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC000607742516 342786988 /nfs/dbraw/zinc/78/69/88/342786988.db2.gz JWTPAEFUHJRFOO-OLZOCXBDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(F)cc1 ZINC000607742517 342786900 /nfs/dbraw/zinc/78/69/00/342786900.db2.gz JWTPAEFUHJRFOO-QWHCGFSZSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC000607742518 342786928 /nfs/dbraw/zinc/78/69/28/342786928.db2.gz JWTPAEFUHJRFOO-STQMWFEESA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CCOc2ccccc2)C1 ZINC000607742581 342786768 /nfs/dbraw/zinc/78/67/68/342786768.db2.gz QUGGQOPLAVAUAY-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CCOc2ccccc2)C1 ZINC000607742582 342786982 /nfs/dbraw/zinc/78/69/82/342786982.db2.gz QUGGQOPLAVAUAY-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CCOc2ccccc2)C1 ZINC000607742583 342786853 /nfs/dbraw/zinc/78/68/53/342786853.db2.gz QUGGQOPLAVAUAY-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCOc1ccccc1 ZINC000607742584 342787010 /nfs/dbraw/zinc/78/70/10/342787010.db2.gz QUGGQOPLAVAUAY-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000607742627 342786846 /nfs/dbraw/zinc/78/68/46/342786846.db2.gz YANOFUPSCJIZCU-HZSPNIEDSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000607742628 342786843 /nfs/dbraw/zinc/78/68/43/342786843.db2.gz YANOFUPSCJIZCU-MCIONIFRSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000607742629 342786925 /nfs/dbraw/zinc/78/69/25/342786925.db2.gz YANOFUPSCJIZCU-MGPQQGTHSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000607742630 342786941 /nfs/dbraw/zinc/78/69/41/342786941.db2.gz YANOFUPSCJIZCU-RDBSUJKOSA-N 1 0 207.361 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC000607742689 342786958 /nfs/dbraw/zinc/78/69/58/342786958.db2.gz GVKHCUHNLTVDRM-CHWSQXEVSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC000607742690 342786839 /nfs/dbraw/zinc/78/68/39/342786839.db2.gz GVKHCUHNLTVDRM-OLZOCXBDSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC1CCCC1 ZINC000607742691 342787019 /nfs/dbraw/zinc/78/70/19/342787019.db2.gz GVKHCUHNLTVDRM-QWHCGFSZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC000607742692 342786878 /nfs/dbraw/zinc/78/68/78/342786878.db2.gz GVKHCUHNLTVDRM-STQMWFEESA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC000607742877 342786961 /nfs/dbraw/zinc/78/69/61/342786961.db2.gz WNPBCJOODSTWNY-CHWSQXEVSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC000607742878 342786967 /nfs/dbraw/zinc/78/69/67/342786967.db2.gz WNPBCJOODSTWNY-OLZOCXBDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cccc(F)c1 ZINC000607742879 342786761 /nfs/dbraw/zinc/78/67/61/342786761.db2.gz WNPBCJOODSTWNY-QWHCGFSZSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC000607742880 342786864 /nfs/dbraw/zinc/78/68/64/342786864.db2.gz WNPBCJOODSTWNY-STQMWFEESA-N 1 0 235.346 3.836 20 0 BHADRO CCCCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000607745921 342787381 /nfs/dbraw/zinc/78/73/81/342787381.db2.gz UZGQKFUZJPVRBF-INIZCTEOSA-N 1 0 247.382 3.559 20 0 BHADRO CCCCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000607745922 342787350 /nfs/dbraw/zinc/78/73/50/342787350.db2.gz UZGQKFUZJPVRBF-MRXNPFEDSA-N 1 0 247.382 3.559 20 0 BHADRO C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1C=CCCC1 ZINC000607747585 342786904 /nfs/dbraw/zinc/78/69/04/342786904.db2.gz RAXUGLJOQGKBDF-BBRMVZONSA-N 1 0 227.351 3.542 20 0 BHADRO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1C=CCCC1 ZINC000607747589 342786933 /nfs/dbraw/zinc/78/69/33/342786933.db2.gz RAXUGLJOQGKBDF-CJNGLKHVSA-N 1 0 227.351 3.542 20 0 BHADRO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C=CCCC1 ZINC000607747590 342786808 /nfs/dbraw/zinc/78/68/08/342786808.db2.gz RAXUGLJOQGKBDF-CZUORRHYSA-N 1 0 227.351 3.542 20 0 BHADRO C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C=CCCC1 ZINC000607747591 342786937 /nfs/dbraw/zinc/78/69/37/342786937.db2.gz RAXUGLJOQGKBDF-XJKSGUPXSA-N 1 0 227.351 3.542 20 0 BHADRO CC1(C)CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000607748485 342787111 /nfs/dbraw/zinc/78/71/11/342787111.db2.gz IEWILTSHDUMNMA-CYBMUJFWSA-N 1 0 207.361 3.607 20 0 BHADRO CC1(C)CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000607748486 342787239 /nfs/dbraw/zinc/78/72/39/342787239.db2.gz IEWILTSHDUMNMA-ZDUSSCGKSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCCC(C)(C)CC1 ZINC000607748740 342787219 /nfs/dbraw/zinc/78/72/19/342787219.db2.gz ARIDAUKKZGXAMH-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCCC(C)(C)CC1 ZINC000607748741 342787208 /nfs/dbraw/zinc/78/72/08/342787208.db2.gz ARIDAUKKZGXAMH-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CC1(C)CCC[N@H+](CC2CCCC2)CC1 ZINC000607748784 342787139 /nfs/dbraw/zinc/78/71/39/342787139.db2.gz QNBMSFAYRDIXLD-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000607748808 342787252 /nfs/dbraw/zinc/78/72/52/342787252.db2.gz ZUAFARZRMVFLAO-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(C)C ZINC000607751248 342788185 /nfs/dbraw/zinc/78/81/85/342788185.db2.gz WJNFLTFBURUXQZ-HNNXBMFYSA-N 1 0 219.372 3.596 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(C)C ZINC000607751249 342788152 /nfs/dbraw/zinc/78/81/52/342788152.db2.gz WJNFLTFBURUXQZ-OAHLLOKOSA-N 1 0 219.372 3.596 20 0 BHADRO CC(C)=CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000607752474 342787606 /nfs/dbraw/zinc/78/76/06/342787606.db2.gz DEOMJESBVPPXTO-UHFFFAOYSA-N 1 0 207.361 3.609 20 0 BHADRO C1=C[C@H]([N@@H+]2CCC3(C2)CCCCC3)CCC1 ZINC000607752561 342787616 /nfs/dbraw/zinc/78/76/16/342787616.db2.gz OQCJHQASEBGNKA-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCC3(C2)CCCCC3)CCC1 ZINC000607752562 342787618 /nfs/dbraw/zinc/78/76/18/342787618.db2.gz OQCJHQASEBGNKA-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000607752583 342788041 /nfs/dbraw/zinc/78/80/41/342788041.db2.gz SGTSRSQTGIYFCT-UHFFFAOYSA-N 1 0 229.367 3.843 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000607752697 342789113 /nfs/dbraw/zinc/78/91/13/342789113.db2.gz LHJYFUAAWVQYSR-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000607752698 342789094 /nfs/dbraw/zinc/78/90/94/342789094.db2.gz LHJYFUAAWVQYSR-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000607752702 342789101 /nfs/dbraw/zinc/78/91/01/342789101.db2.gz MIOOGDCOINJBOT-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000607752740 342789174 /nfs/dbraw/zinc/78/91/74/342789174.db2.gz YWVSUZYJYKGVIG-UHFFFAOYSA-N 1 0 247.357 3.982 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000607753200 342788631 /nfs/dbraw/zinc/78/86/31/342788631.db2.gz IQDFSLYUXPGKGE-QLFBSQMISA-N 1 0 247.357 3.865 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000607753203 342788777 /nfs/dbraw/zinc/78/87/77/342788777.db2.gz IQDFSLYUXPGKGE-ZNMIVQPWSA-N 1 0 247.357 3.865 20 0 BHADRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000607754092 342789912 /nfs/dbraw/zinc/78/99/12/342789912.db2.gz CHNAOCNCHNMONS-INIZCTEOSA-N 1 0 246.398 3.872 20 0 BHADRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000607754093 342789874 /nfs/dbraw/zinc/78/98/74/342789874.db2.gz CHNAOCNCHNMONS-MRXNPFEDSA-N 1 0 246.398 3.872 20 0 BHADRO COc1cccc(C[N@@H+]2CCCC(C)(C)CC2)c1 ZINC000607755309 342790715 /nfs/dbraw/zinc/79/07/15/342790715.db2.gz ZNHYTPMMYDLYHG-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCC(C(C)C)CC2)o1 ZINC000608053768 352650838 /nfs/dbraw/zinc/65/08/38/352650838.db2.gz NMGIGJNDMVOEKF-UHFFFAOYSA-N 1 0 249.398 3.935 20 0 BHADRO Cc1ccc(CC[NH2+]C2CCC(C)(C)CC2)o1 ZINC000608053843 352650947 /nfs/dbraw/zinc/65/09/47/352650947.db2.gz UNARUCAIQMFBAN-UHFFFAOYSA-N 1 0 235.371 3.689 20 0 BHADRO Cc1ccoc1C[NH2+]CCc1ccccc1Cl ZINC000608054795 352650888 /nfs/dbraw/zinc/65/08/88/352650888.db2.gz AJAKIIAGAFEHAI-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000608055956 352652084 /nfs/dbraw/zinc/65/20/84/352652084.db2.gz GDTJOQLTMRKEOK-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000608055961 352651777 /nfs/dbraw/zinc/65/17/77/352651777.db2.gz GDTJOQLTMRKEOK-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000608056984 352651415 /nfs/dbraw/zinc/65/14/15/352651415.db2.gz QIMOPGMVMHPEKS-AWEZNQCLSA-N 1 0 245.410 3.817 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000608056985 352651851 /nfs/dbraw/zinc/65/18/51/352651851.db2.gz QIMOPGMVMHPEKS-CQSZACIVSA-N 1 0 245.410 3.817 20 0 BHADRO CCC(C)(C)C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000608057341 411497778 /nfs/dbraw/zinc/49/77/78/411497778.db2.gz UMZIQMVXCDIAJW-UHFFFAOYSA-N 1 0 249.398 3.870 20 0 BHADRO Fc1ccc2oc(C[NH2+]CCCC3CC3)cc2c1 ZINC000608057655 411497253 /nfs/dbraw/zinc/49/72/53/411497253.db2.gz YYPDZBAKDHXATK-UHFFFAOYSA-N 1 0 247.313 3.852 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1[nH]nc2ccccc21 ZINC000608060897 386737126 /nfs/dbraw/zinc/73/71/26/386737126.db2.gz FYSXBCMQTGSGKK-UHFFFAOYSA-N 1 0 245.370 3.621 20 0 BHADRO CCC(CC)c1cc(C[NH2+]CC(C)(C)C)on1 ZINC000608061953 386733892 /nfs/dbraw/zinc/73/38/92/386733892.db2.gz LKDLZQOKBDRGBF-UHFFFAOYSA-N 1 0 238.375 3.714 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000608062210 386735021 /nfs/dbraw/zinc/73/50/21/386735021.db2.gz GQZOHIAUDBHHET-KBPBESRZSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000608062211 386735140 /nfs/dbraw/zinc/73/51/40/386735140.db2.gz GQZOHIAUDBHHET-KGLIPLIRSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000608062212 386735666 /nfs/dbraw/zinc/73/56/66/386735666.db2.gz GQZOHIAUDBHHET-UONOGXRCSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000608062213 386736270 /nfs/dbraw/zinc/73/62/70/386736270.db2.gz GQZOHIAUDBHHET-ZIAGYGMSSA-N 1 0 233.355 3.646 20 0 BHADRO CCCc1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC000608071821 411500367 /nfs/dbraw/zinc/50/03/67/411500367.db2.gz NYLPKFMRQMIRQL-UHFFFAOYSA-N 1 0 245.288 3.681 20 0 BHADRO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000608373109 355382353 /nfs/dbraw/zinc/38/23/53/355382353.db2.gz YVMUVUOZNDJKGR-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000608373116 355382739 /nfs/dbraw/zinc/38/27/39/355382739.db2.gz YVMUVUOZNDJKGR-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000608373117 355382506 /nfs/dbraw/zinc/38/25/06/355382506.db2.gz YVMUVUOZNDJKGR-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO CCO[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000608373118 355382280 /nfs/dbraw/zinc/38/22/80/355382280.db2.gz YVMUVUOZNDJKGR-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@H](C)c1ccncc1 ZINC000608491442 355814851 /nfs/dbraw/zinc/81/48/51/355814851.db2.gz JYIUFUAJMKDQCX-GFCCVEGCSA-N 1 0 246.379 3.726 20 0 BHADRO CC[N@H+](Cc1cccs1)[C@@H](C)c1ccncc1 ZINC000608491443 355814333 /nfs/dbraw/zinc/81/43/33/355814333.db2.gz JYIUFUAJMKDQCX-LBPRGKRZSA-N 1 0 246.379 3.726 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cccc(Cl)c1 ZINC000608492044 355809219 /nfs/dbraw/zinc/80/92/19/355809219.db2.gz MSHHZRQFNOLILP-UHFFFAOYSA-N 1 0 223.747 3.572 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2C3CCC2CC3)c1 ZINC000608492195 355808997 /nfs/dbraw/zinc/80/89/97/355808997.db2.gz ZWXMHMGYFWVVMQ-GRTSSRMGSA-N 1 0 215.340 3.683 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2C3CCC2CC3)c1 ZINC000608492196 355809168 /nfs/dbraw/zinc/80/91/68/355809168.db2.gz ZWXMHMGYFWVVMQ-LRVUVFPRSA-N 1 0 215.340 3.683 20 0 BHADRO CCC(C)(C)CC[N@H+](CC(C)C)C1CC1 ZINC000608492237 355809214 /nfs/dbraw/zinc/80/92/14/355809214.db2.gz OTIGZPPZWPGAAE-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO C(C1CCC1)[N@H+](C1CC1)C1CCCCC1 ZINC000608492550 355809330 /nfs/dbraw/zinc/80/93/30/355809330.db2.gz RPOAMMODOWVDKV-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO C(C[N@H+](C1CC1)C1CCCCC1)C1CC1 ZINC000608492553 355809286 /nfs/dbraw/zinc/80/92/86/355809286.db2.gz SHTHUEUZGRPSBV-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO CC[N@H+](Cc1cccc(N(C)C)c1)C1CCCC1 ZINC000608492572 355818180 /nfs/dbraw/zinc/81/81/80/355818180.db2.gz AOWQQUCSUZOSSX-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCOc2ccccc2C1 ZINC000608493077 355818862 /nfs/dbraw/zinc/81/88/62/355818862.db2.gz RWPWKRKYSKLPJJ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCC(C)(C)CC[N@H+](CCOC)C1CCCC1 ZINC000608493140 355819527 /nfs/dbraw/zinc/81/95/27/355819527.db2.gz FFMKXVXJNIESAS-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[N@H+](Cc1cccc(N(C)C)c1)C1CC1 ZINC000608493322 355819848 /nfs/dbraw/zinc/81/98/48/355819848.db2.gz IJJPNVFTUYSZTG-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(N(C)C)c1)C(C)C ZINC000608493462 355819358 /nfs/dbraw/zinc/81/93/58/355819358.db2.gz PGPIPIOZBYBNMZ-UHFFFAOYSA-N 1 0 248.414 3.619 20 0 BHADRO CCC[N@H+](CCC1CC1)Cc1ccc(OC)cc1 ZINC000608493598 355819932 /nfs/dbraw/zinc/81/99/32/355819932.db2.gz HKDQJUWTXGIGGZ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCC[N@H+](CC(C)C)[C@H](C)c1ccncc1 ZINC000608493646 355819830 /nfs/dbraw/zinc/81/98/30/355819830.db2.gz VVNFDIGKVRQTTA-CYBMUJFWSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[N@H+](CC(C)C)[C@@H](C)c1ccncc1 ZINC000608493647 355819548 /nfs/dbraw/zinc/81/95/48/355819548.db2.gz VVNFDIGKVRQTTA-ZDUSSCGKSA-N 1 0 220.360 3.511 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)CC1CCC1 ZINC000608493651 355819670 /nfs/dbraw/zinc/81/96/70/355819670.db2.gz WGIDRECSFXWPGV-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CCC[N@@H+](Cc1cccc(N(C)C)c1)CC(C)C ZINC000608493652 355819507 /nfs/dbraw/zinc/81/95/07/355819507.db2.gz WUMFBKRAGVUFTO-UHFFFAOYSA-N 1 0 248.414 3.621 20 0 BHADRO CCC[N@H+](CCC1CC1)Cc1ccccc1F ZINC000608493685 355819680 /nfs/dbraw/zinc/81/96/80/355819680.db2.gz HJKCYURFVCIARS-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO CCC[N@@H+](Cc1ccccc1F)CC1CCC1 ZINC000608493774 355819659 /nfs/dbraw/zinc/81/96/59/355819659.db2.gz YBHMPIBROLDERG-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO COc1c(C)cc(C[N@H+](C)CCC2CC2)cc1C ZINC000608494625 355817809 /nfs/dbraw/zinc/81/78/09/355817809.db2.gz DDUNBQLLZBELBJ-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[N@H+](CCC(C)(C)CC)Cc1ccoc1 ZINC000608494645 355817843 /nfs/dbraw/zinc/81/78/43/355817843.db2.gz GAFASBYPRIFGBS-UHFFFAOYSA-N 1 0 223.360 3.928 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000608495287 355820996 /nfs/dbraw/zinc/82/09/96/355820996.db2.gz FQKUBOMACJMDAY-CYBMUJFWSA-N 1 0 209.377 3.687 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000608495291 355820782 /nfs/dbraw/zinc/82/07/82/355820782.db2.gz FQKUBOMACJMDAY-ZDUSSCGKSA-N 1 0 209.377 3.687 20 0 BHADRO CCC(C)(C)CC[NH+]1Cc2ccccc2C1 ZINC000608496636 355823396 /nfs/dbraw/zinc/82/33/96/355823396.db2.gz WDWFGLLPUQJURQ-UHFFFAOYSA-N 1 0 217.356 3.829 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000608497033 355823362 /nfs/dbraw/zinc/82/33/62/355823362.db2.gz SYLZSFLYVKYONV-CYBMUJFWSA-N 1 0 235.371 3.895 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000608497034 355823441 /nfs/dbraw/zinc/82/34/41/355823441.db2.gz SYLZSFLYVKYONV-ZDUSSCGKSA-N 1 0 235.371 3.895 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccc(F)cc1Cl ZINC000608497117 355823457 /nfs/dbraw/zinc/82/34/57/355823457.db2.gz GGCRIBBIWRDXCK-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000608497430 355824258 /nfs/dbraw/zinc/82/42/58/355824258.db2.gz QHFFAOFDDBXYHB-AWEZNQCLSA-N 1 0 246.398 3.517 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000608497431 355824227 /nfs/dbraw/zinc/82/42/27/355824227.db2.gz QHFFAOFDDBXYHB-CQSZACIVSA-N 1 0 246.398 3.517 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC000608497445 355824542 /nfs/dbraw/zinc/82/45/42/355824542.db2.gz WAPNBPSJABKLLY-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC000608497446 355824464 /nfs/dbraw/zinc/82/44/64/355824464.db2.gz WAPNBPSJABKLLY-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1CCC1CC1 ZINC000608497451 355824177 /nfs/dbraw/zinc/82/41/77/355824177.db2.gz XNEIXDCCOSTOJM-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCC1CC1 ZINC000608497452 355824266 /nfs/dbraw/zinc/82/42/66/355824266.db2.gz XNEIXDCCOSTOJM-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO Fc1ccccc1C1CC[NH+](CCC2CC2)CC1 ZINC000608497472 355824243 /nfs/dbraw/zinc/82/42/43/355824243.db2.gz ACIQLASJXZHPKB-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO c1ccc([C@@H]2C[N@H+](CC3CCC3)CCS2)cc1 ZINC000608497539 355824203 /nfs/dbraw/zinc/82/42/03/355824203.db2.gz DTQCLROXNFHLIX-HNNXBMFYSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2C[N@H+](CC3CCC3)CCS2)cc1 ZINC000608497550 355824561 /nfs/dbraw/zinc/82/45/61/355824561.db2.gz DTQCLROXNFHLIX-OAHLLOKOSA-N 1 0 247.407 3.577 20 0 BHADRO CCC(C)(C)CC[N@H+](C)CCCOC(C)C ZINC000608497681 355824270 /nfs/dbraw/zinc/82/42/70/355824270.db2.gz UUAQFGIKXQFSLM-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO c1ccc([C@@H]2C[N@H+](CCC3CC3)CCS2)cc1 ZINC000608497777 355824193 /nfs/dbraw/zinc/82/41/93/355824193.db2.gz XMHBTXUOVMCXNR-HNNXBMFYSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2C[N@H+](CCC3CC3)CCS2)cc1 ZINC000608497778 355824293 /nfs/dbraw/zinc/82/42/93/355824293.db2.gz XMHBTXUOVMCXNR-OAHLLOKOSA-N 1 0 247.407 3.577 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(N(C)C)c1 ZINC000608498123 355825001 /nfs/dbraw/zinc/82/50/01/355825001.db2.gz OOXIXAJBKKBJEP-KBPBESRZSA-N 1 0 246.398 3.516 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(N(C)C)c1 ZINC000608498124 355825084 /nfs/dbraw/zinc/82/50/84/355825084.db2.gz OOXIXAJBKKBJEP-OKILXGFUSA-N 1 0 246.398 3.516 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(N(C)C)c1 ZINC000608498125 355825109 /nfs/dbraw/zinc/82/51/09/355825109.db2.gz OOXIXAJBKKBJEP-ZIAGYGMSSA-N 1 0 246.398 3.516 20 0 BHADRO C(C1CCCCC1)[NH+]1C2CCCC1CCC2 ZINC000608498903 355827376 /nfs/dbraw/zinc/82/73/76/355827376.db2.gz IWUUGQJKPGDHKR-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO Cc1ccccc1C[NH+]1C2CCCC1CCC2 ZINC000608498910 355827015 /nfs/dbraw/zinc/82/70/15/355827015.db2.gz JIAPZFQGIOXVNL-UHFFFAOYSA-N 1 0 229.367 3.902 20 0 BHADRO COc1cccc(C[NH+]2C3CCCC2CCC3)c1 ZINC000608498964 355826922 /nfs/dbraw/zinc/82/69/22/355826922.db2.gz MMDNUHHFGYGYIU-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO C(C1CCCC1)[NH+]1C2CCCC1CCC2 ZINC000608499001 355827402 /nfs/dbraw/zinc/82/74/02/355827402.db2.gz PVNNIQRSGVQULM-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO C1=C[C@H]([NH+]2C3CCCC2CCC3)CCC1 ZINC000608499047 355827244 /nfs/dbraw/zinc/82/72/44/355827244.db2.gz UNWGVQQSTYCAMM-HSBZDZAISA-N 1 0 205.345 3.502 20 0 BHADRO C1=C[C@@H]([NH+]2C3CCCC2CCC3)CCC1 ZINC000608499048 355826908 /nfs/dbraw/zinc/82/69/08/355826908.db2.gz UNWGVQQSTYCAMM-IYXRBSQSSA-N 1 0 205.345 3.502 20 0 BHADRO C(C[NH+]1C2CCCC1CCC2)C1CCCC1 ZINC000608499143 355828009 /nfs/dbraw/zinc/82/80/09/355828009.db2.gz AWYHSBVHCUWDRC-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO Fc1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC000608499197 355827905 /nfs/dbraw/zinc/82/79/05/355827905.db2.gz CYTGYKVKLOWFRN-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO Cc1cccc(C[NH+]2C3CCCC2CCC3)c1 ZINC000608499256 355828066 /nfs/dbraw/zinc/82/80/66/355828066.db2.gz DJDFXLWJQSLWKM-UHFFFAOYSA-N 1 0 229.367 3.902 20 0 BHADRO Fc1cccc(C[NH+]2C3CCCC2CCC3)c1 ZINC000608499264 355828040 /nfs/dbraw/zinc/82/80/40/355828040.db2.gz DKJXDOJLQVAZCH-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO CC(C)(C)CC[NH+]1C2CCCC1CCC2 ZINC000608499524 355827896 /nfs/dbraw/zinc/82/78/96/355827896.db2.gz NMRKDYNAIYTHHA-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO Fc1ccccc1C[NH+]1C2CCCC1CCC2 ZINC000608499546 355828046 /nfs/dbraw/zinc/82/80/46/355828046.db2.gz OUCNBYYKXOSBEM-UHFFFAOYSA-N 1 0 233.330 3.733 20 0 BHADRO Cc1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC000608499587 355827776 /nfs/dbraw/zinc/82/77/76/355827776.db2.gz QPKCNOMUYRCGQI-UHFFFAOYSA-N 1 0 229.367 3.902 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(F)(F)F ZINC000608500141 387044571 /nfs/dbraw/zinc/04/45/71/387044571.db2.gz QJPDAIGCDGYKDO-GMTAPVOTSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(F)(F)F ZINC000608500147 387044527 /nfs/dbraw/zinc/04/45/27/387044527.db2.gz QJPDAIGCDGYKDO-MXWKQRLJSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(F)(F)F ZINC000608500148 387044859 /nfs/dbraw/zinc/04/48/59/387044859.db2.gz QJPDAIGCDGYKDO-OUAUKWLOSA-N 1 0 235.293 3.592 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(F)(F)F ZINC000608500149 355828594 /nfs/dbraw/zinc/82/85/94/355828594.db2.gz QJPDAIGCDGYKDO-VWYCJHECSA-N 1 0 235.293 3.592 20 0 BHADRO C[N@H+](Cc1cc(Cl)ccc1Cl)C1CCC1 ZINC000608500618 355826771 /nfs/dbraw/zinc/82/67/71/355826771.db2.gz HXKGDHCXARDSBY-UHFFFAOYSA-N 1 0 244.165 3.978 20 0 BHADRO CCC[N@H+](CC)CC(C)(C)c1ccccc1 ZINC000608501274 355829089 /nfs/dbraw/zinc/82/90/89/355829089.db2.gz PSHDQBMKIUCFAZ-UHFFFAOYSA-N 1 0 219.372 3.696 20 0 BHADRO C(C[NH+]1CCC(C2CCCC2)CC1)C1CC1 ZINC000608501910 355829169 /nfs/dbraw/zinc/82/91/69/355829169.db2.gz CTNUYXXMIVLTNK-UHFFFAOYSA-N 1 0 221.388 3.689 20 0 BHADRO CCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000608501977 355829179 /nfs/dbraw/zinc/82/91/79/355829179.db2.gz OUDOGJYYJISRPS-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO C1=C[C@H]([NH+]2CCC(C3CCCC3)CC2)CCC1 ZINC000608502076 355829362 /nfs/dbraw/zinc/82/93/62/355829362.db2.gz QGHKZXZRINORMF-INIZCTEOSA-N 1 0 233.399 3.997 20 0 BHADRO C1=C[C@@H]([NH+]2CCC(C3CCCC3)CC2)CCC1 ZINC000608502079 387046586 /nfs/dbraw/zinc/04/65/86/387046586.db2.gz QGHKZXZRINORMF-MRXNPFEDSA-N 1 0 233.399 3.997 20 0 BHADRO Cc1ccc(C)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000608502091 355829133 /nfs/dbraw/zinc/82/91/33/355829133.db2.gz OKWXHQOZTWNYBK-KBPBESRZSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000608502093 355829107 /nfs/dbraw/zinc/82/91/07/355829107.db2.gz OKWXHQOZTWNYBK-OKILXGFUSA-N 1 0 249.423 3.629 20 0 BHADRO Cc1ccc(C)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000608502094 355829200 /nfs/dbraw/zinc/82/92/00/355829200.db2.gz OKWXHQOZTWNYBK-ZIAGYGMSSA-N 1 0 249.423 3.629 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000608502343 355830037 /nfs/dbraw/zinc/83/00/37/355830037.db2.gz CFUPMLKFCZAXSW-DOMZBBRYSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000608502348 355829821 /nfs/dbraw/zinc/82/98/21/355829821.db2.gz CFUPMLKFCZAXSW-IUODEOHRSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000608502350 355830338 /nfs/dbraw/zinc/83/03/38/355830338.db2.gz CFUPMLKFCZAXSW-SWLSCSKDSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000608502351 355830418 /nfs/dbraw/zinc/83/04/18/355830418.db2.gz CFUPMLKFCZAXSW-WFASDCNBSA-N 1 0 235.346 3.865 20 0 BHADRO FC(F)(F)CC[NH+]1CCC(C2CCCC2)CC1 ZINC000608502405 355829927 /nfs/dbraw/zinc/82/99/27/355829927.db2.gz KADACNRERTYDJJ-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO C(C1CCC1)[NH+]1CCC(C2CCCC2)CC1 ZINC000608502577 355830385 /nfs/dbraw/zinc/83/03/85/355830385.db2.gz ZKUNLOHHRLOKFQ-UHFFFAOYSA-N 1 0 221.388 3.689 20 0 BHADRO CC(C)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502735 355830163 /nfs/dbraw/zinc/83/01/63/355830163.db2.gz QRFIZCKOUVHNKD-UHFFFAOYSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000608502753 355830247 /nfs/dbraw/zinc/83/02/47/355830247.db2.gz WGBUAXIAVSDDFB-FRRDWIJNSA-N 1 0 235.396 3.573 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000608502757 355830422 /nfs/dbraw/zinc/83/04/22/355830422.db2.gz WGBUAXIAVSDDFB-JHJVBQTASA-N 1 0 235.396 3.573 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000608506101 387044490 /nfs/dbraw/zinc/04/44/90/387044490.db2.gz ORPYPDNJWCTCLL-AWEZNQCLSA-N 1 0 249.423 3.757 20 0 BHADRO CC(C)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000608506102 387044833 /nfs/dbraw/zinc/04/48/33/387044833.db2.gz ORPYPDNJWCTCLL-CQSZACIVSA-N 1 0 249.423 3.757 20 0 BHADRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608507259 355831974 /nfs/dbraw/zinc/83/19/74/355831974.db2.gz FJYYQNSSHMBWIY-HIFRSBDPSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608507261 355831591 /nfs/dbraw/zinc/83/15/91/355831591.db2.gz FJYYQNSSHMBWIY-UKRRQHHQSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCC(C)(C)C1 ZINC000608508631 355830967 /nfs/dbraw/zinc/83/09/67/355830967.db2.gz AFQFJXPSSNKFFD-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO CC[C@H]1C[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000608510583 355833393 /nfs/dbraw/zinc/83/33/93/355833393.db2.gz JKFJMEMUQLZFBW-AJHXJQRKSA-N 1 0 247.407 3.527 20 0 BHADRO CC[C@H]1C[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000608510584 355833337 /nfs/dbraw/zinc/83/33/37/355833337.db2.gz JKFJMEMUQLZFBW-PPYMECGQSA-N 1 0 247.407 3.527 20 0 BHADRO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000608510585 355833383 /nfs/dbraw/zinc/83/33/83/355833383.db2.gz JKFJMEMUQLZFBW-RZIFZGNASA-N 1 0 247.407 3.527 20 0 BHADRO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000608510586 355833604 /nfs/dbraw/zinc/83/36/04/355833604.db2.gz JKFJMEMUQLZFBW-WUKHSURWSA-N 1 0 247.407 3.527 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000608511127 355831493 /nfs/dbraw/zinc/83/14/93/355831493.db2.gz QHJBIZPOCLQSPL-KBPBESRZSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000608511128 355831514 /nfs/dbraw/zinc/83/15/14/355831514.db2.gz QHJBIZPOCLQSPL-KGLIPLIRSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000608511129 355831859 /nfs/dbraw/zinc/83/18/59/355831859.db2.gz QHJBIZPOCLQSPL-UONOGXRCSA-N 1 0 247.382 3.624 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000608511130 355831454 /nfs/dbraw/zinc/83/14/54/355831454.db2.gz QHJBIZPOCLQSPL-ZIAGYGMSSA-N 1 0 247.382 3.624 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000608559888 355858526 /nfs/dbraw/zinc/85/85/26/355858526.db2.gz NFURBXOFJYGVCH-HNNXBMFYSA-N 1 0 248.414 3.988 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000608559889 355858206 /nfs/dbraw/zinc/85/82/06/355858206.db2.gz NFURBXOFJYGVCH-OAHLLOKOSA-N 1 0 248.414 3.988 20 0 BHADRO C[N@H+](CCC1CCCCC1)C1CCCC1 ZINC000608559960 355858223 /nfs/dbraw/zinc/85/82/23/355858223.db2.gz DULIRCALZWVYLD-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CCC(C)(C)CC[N@H+](CC1CC1)C(C)C ZINC000608560383 355858493 /nfs/dbraw/zinc/85/84/93/355858493.db2.gz GPHNSHHWCIIPNA-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO CC[N@H+](CCC1CC1)[C@H]1CCc2ccccc21 ZINC000608561091 355859233 /nfs/dbraw/zinc/85/92/33/355859233.db2.gz IMLMAJNIDLDATE-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CCC1CC1)[C@@H]1CCc2ccccc21 ZINC000608561095 355858919 /nfs/dbraw/zinc/85/89/19/355858919.db2.gz IMLMAJNIDLDATE-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CC1CCC1)[C@H]1CCc2ccccc21 ZINC000608561103 355859064 /nfs/dbraw/zinc/85/90/64/355859064.db2.gz SAKFGKYEKSLVKW-INIZCTEOSA-N 1 0 229.367 3.796 20 0 BHADRO CC[N@H+](CC1CCC1)[C@@H]1CCc2ccccc21 ZINC000608561104 355859274 /nfs/dbraw/zinc/85/92/74/355859274.db2.gz SAKFGKYEKSLVKW-MRXNPFEDSA-N 1 0 229.367 3.796 20 0 BHADRO Fc1ccc(C2([NH2+]CC3CCC3)CCC2)cc1 ZINC000608561310 355858876 /nfs/dbraw/zinc/85/88/76/355858876.db2.gz HSKPTKLHEWBVDC-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO Fc1ccc(C2([NH2+]CCC3CC3)CCC2)cc1 ZINC000608561349 355859229 /nfs/dbraw/zinc/85/92/29/355859229.db2.gz OCCSOSZYYIJTEX-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccccc1N(C)C)C(C)(C)C ZINC000608562840 355860203 /nfs/dbraw/zinc/86/02/03/355860203.db2.gz PJZJFOAUQCUPDY-CYBMUJFWSA-N 1 0 248.414 3.619 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccccc1N(C)C)C(C)(C)C ZINC000608562841 355860251 /nfs/dbraw/zinc/86/02/51/355860251.db2.gz PJZJFOAUQCUPDY-ZDUSSCGKSA-N 1 0 248.414 3.619 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000608562842 355860160 /nfs/dbraw/zinc/86/01/60/355860160.db2.gz PVMVKALODXCOPM-CYBMUJFWSA-N 1 0 248.414 3.619 20 0 BHADRO C[C@H]([N@H+](C)Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000608562843 355860179 /nfs/dbraw/zinc/86/01/79/355860179.db2.gz PVMVKALODXCOPM-ZDUSSCGKSA-N 1 0 248.414 3.619 20 0 BHADRO CCC(C)(C)CC[NH+](CC1CC1)CC1CC1 ZINC000608563501 355860935 /nfs/dbraw/zinc/86/09/35/355860935.db2.gz PIKGKFYHNXJMGD-UHFFFAOYSA-N 1 0 223.404 3.935 20 0 BHADRO CC[N@H+](Cc1cccc(N(C)C)c1)[C@@H](C)C(C)C ZINC000608563663 355860476 /nfs/dbraw/zinc/86/04/76/355860476.db2.gz VKJZLOAKKKZUSX-AWEZNQCLSA-N 1 0 248.414 3.619 20 0 BHADRO CC[N@H+](Cc1cccc(N(C)C)c1)[C@H](C)C(C)C ZINC000608563664 355860727 /nfs/dbraw/zinc/86/07/27/355860727.db2.gz VKJZLOAKKKZUSX-CQSZACIVSA-N 1 0 248.414 3.619 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000608564257 355860735 /nfs/dbraw/zinc/86/07/35/355860735.db2.gz GUMFCAGALRFZPJ-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000608564259 355861079 /nfs/dbraw/zinc/86/10/79/355861079.db2.gz GUMFCAGALRFZPJ-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO CCC(C)(C)CC[N@H+](C(C)C)C1CCOCC1 ZINC000608564416 355860590 /nfs/dbraw/zinc/86/05/90/355860590.db2.gz ALQHBWCAKLELPE-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000608564649 355860859 /nfs/dbraw/zinc/86/08/59/355860859.db2.gz RQRWFCIXNGUWBL-DLBZAZTESA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000608564650 355860818 /nfs/dbraw/zinc/86/08/18/355860818.db2.gz RQRWFCIXNGUWBL-IAGOWNOFSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000608564651 355860913 /nfs/dbraw/zinc/86/09/13/355860913.db2.gz RQRWFCIXNGUWBL-IRXDYDNUSA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000608564652 355861087 /nfs/dbraw/zinc/86/10/87/355861087.db2.gz RQRWFCIXNGUWBL-SJORKVTESA-N 1 0 243.394 3.802 20 0 BHADRO Cc1ccc(CC[NH+]2C3CCCC2CCC3)cc1 ZINC000608564789 355860467 /nfs/dbraw/zinc/86/04/67/355860467.db2.gz BGSBSQRGYZIQGR-UHFFFAOYSA-N 1 0 243.394 3.945 20 0 BHADRO c1ccc(CC[NH+]2C3CCCC2CCC3)cc1 ZINC000608564972 355861911 /nfs/dbraw/zinc/86/19/11/355861911.db2.gz IWNMYKDWHZWQGR-UHFFFAOYSA-N 1 0 229.367 3.636 20 0 BHADRO Cc1ccc(CC[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000608578119 355866228 /nfs/dbraw/zinc/86/62/28/355866228.db2.gz DKGUHYCGZRNYAR-CABCVRRESA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000608578120 355866096 /nfs/dbraw/zinc/86/60/96/355866096.db2.gz DKGUHYCGZRNYAR-GJZGRUSLSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000608578121 355866006 /nfs/dbraw/zinc/86/60/06/355866006.db2.gz DKGUHYCGZRNYAR-HUUCEWRRSA-N 1 0 231.383 3.658 20 0 BHADRO Cc1ccc(CC[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000608578122 355866224 /nfs/dbraw/zinc/86/62/24/355866224.db2.gz DKGUHYCGZRNYAR-LSDHHAIUSA-N 1 0 231.383 3.658 20 0 BHADRO CO[C@]1(C)C[C@H]([NH2+]C2CCCCCC2)C1(C)C ZINC000608579445 355867065 /nfs/dbraw/zinc/86/70/65/355867065.db2.gz OEGRFLABYHQJRI-DZGCQCFKSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@]1(C)C[C@@H]([NH2+]C2CCCCCC2)C1(C)C ZINC000608579448 355867018 /nfs/dbraw/zinc/86/70/18/355867018.db2.gz OEGRFLABYHQJRI-HIFRSBDPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@]1(C)C[C@@H]([NH2+]C2CCCCCC2)C1(C)C ZINC000608579449 355866652 /nfs/dbraw/zinc/86/66/52/355866652.db2.gz OEGRFLABYHQJRI-UKRRQHHQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@]1(C)C[C@H]([NH2+]C2CCCCCC2)C1(C)C ZINC000608579450 355867001 /nfs/dbraw/zinc/86/70/01/355867001.db2.gz OEGRFLABYHQJRI-ZFWWWQNUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608746426 355968725 /nfs/dbraw/zinc/96/87/25/355968725.db2.gz RNPLNWFYVFPCMN-KGLIPLIRSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000608746427 355968629 /nfs/dbraw/zinc/96/86/29/355968629.db2.gz RNPLNWFYVFPCMN-ZIAGYGMSSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCc1ccc(C)cc1 ZINC000608758150 355976424 /nfs/dbraw/zinc/97/64/24/355976424.db2.gz MUDMFXKUANVYPU-GDBMZVCRSA-N 1 0 231.383 3.658 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCc1ccc(C)cc1 ZINC000608758155 355976492 /nfs/dbraw/zinc/97/64/92/355976492.db2.gz MUDMFXKUANVYPU-GOEBONIOSA-N 1 0 231.383 3.658 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCc1ccc(C)cc1 ZINC000608758157 355976387 /nfs/dbraw/zinc/97/63/87/355976387.db2.gz MUDMFXKUANVYPU-HOCLYGCPSA-N 1 0 231.383 3.658 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCc1ccc(C)cc1 ZINC000608758158 355975942 /nfs/dbraw/zinc/97/59/42/355975942.db2.gz MUDMFXKUANVYPU-ZBFHGGJFSA-N 1 0 231.383 3.658 20 0 BHADRO CCS[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000609563246 355898224 /nfs/dbraw/zinc/89/82/24/355898224.db2.gz LQXQFJRLKOOEMP-HNNXBMFYSA-N 1 0 249.423 3.794 20 0 BHADRO CCS[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000609563247 355898200 /nfs/dbraw/zinc/89/82/00/355898200.db2.gz LQXQFJRLKOOEMP-OAHLLOKOSA-N 1 0 249.423 3.794 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000609850450 356488109 /nfs/dbraw/zinc/48/81/09/356488109.db2.gz FGAXECNYWSQUEZ-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000609850451 356488062 /nfs/dbraw/zinc/48/80/62/356488062.db2.gz FGAXECNYWSQUEZ-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000609850529 356488200 /nfs/dbraw/zinc/48/82/00/356488200.db2.gz VXUGJIZXXUVSSK-CYBMUJFWSA-N 1 0 237.412 3.741 20 0 BHADRO CCSCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000609850530 356487739 /nfs/dbraw/zinc/48/77/39/356487739.db2.gz VXUGJIZXXUVSSK-ZDUSSCGKSA-N 1 0 237.412 3.741 20 0 BHADRO CCC[N@H+](CCSCC)Cc1ccccc1 ZINC000609851281 356488007 /nfs/dbraw/zinc/48/80/07/356488007.db2.gz DICQKEZFFZXKLM-UHFFFAOYSA-N 1 0 237.412 3.652 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000609851335 356488069 /nfs/dbraw/zinc/48/80/69/356488069.db2.gz QCBAQVQSDLAQFS-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000609851336 356487819 /nfs/dbraw/zinc/48/78/19/356487819.db2.gz QCBAQVQSDLAQFS-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[NH+]1CCC(c2ccccc2)CC1 ZINC000609851344 356487760 /nfs/dbraw/zinc/48/77/60/356487760.db2.gz UBNGTKPPMTYHJF-UHFFFAOYSA-N 1 0 249.423 3.619 20 0 BHADRO CSCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000610211512 357277768 /nfs/dbraw/zinc/27/77/68/357277768.db2.gz CHRIHIYBJPQJKI-HNNXBMFYSA-N 1 0 249.423 3.885 20 0 BHADRO CSCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000610211513 357277644 /nfs/dbraw/zinc/27/76/44/357277644.db2.gz CHRIHIYBJPQJKI-OAHLLOKOSA-N 1 0 249.423 3.885 20 0 BHADRO CCSCC[N@H+](C1CC1)C1CCCCC1 ZINC000610212599 357281803 /nfs/dbraw/zinc/28/18/03/357281803.db2.gz KOURZCYEGHFJNA-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO CCSCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000610212684 357281418 /nfs/dbraw/zinc/28/14/18/357281418.db2.gz SREBKBDYSDQBHA-AWEZNQCLSA-N 1 0 241.444 3.784 20 0 BHADRO CCSCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000610212685 357281731 /nfs/dbraw/zinc/28/17/31/357281731.db2.gz SREBKBDYSDQBHA-CQSZACIVSA-N 1 0 241.444 3.784 20 0 BHADRO CCSCC[N@H+](CC1CCCCC1)C1CC1 ZINC000610212715 357281288 /nfs/dbraw/zinc/28/12/88/357281288.db2.gz XZBSHMJIOBLQBV-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CCSCC[NH+]1CCC2(CCCCC2)CC1 ZINC000610212812 357281163 /nfs/dbraw/zinc/28/11/63/357281163.db2.gz GMURGOJGQODLKZ-UHFFFAOYSA-N 1 0 241.444 3.786 20 0 BHADRO CCSCC[N@H+](C)CCC1CCCCC1 ZINC000610212857 357281426 /nfs/dbraw/zinc/28/14/26/357281426.db2.gz NXCVDMCTPUZVRF-UHFFFAOYSA-N 1 0 229.433 3.642 20 0 BHADRO CCSCC[N@H+](CC1CC1)C1CCCCC1 ZINC000610212862 357281922 /nfs/dbraw/zinc/28/19/22/357281922.db2.gz PQUUQSMZNMAOKQ-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CCSCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000610213382 398037895 /nfs/dbraw/zinc/03/78/95/398037895.db2.gz YKBLVWJPJNVUCN-DZGCQCFKSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000610213383 398037730 /nfs/dbraw/zinc/03/77/30/398037730.db2.gz YKBLVWJPJNVUCN-HIFRSBDPSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000610213384 398037758 /nfs/dbraw/zinc/03/77/58/398037758.db2.gz YKBLVWJPJNVUCN-UKRRQHHQSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000610213385 398037467 /nfs/dbraw/zinc/03/74/67/398037467.db2.gz YKBLVWJPJNVUCN-ZFWWWQNUSA-N 1 0 249.423 3.618 20 0 BHADRO CCSCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000610213395 398037829 /nfs/dbraw/zinc/03/78/29/398037829.db2.gz BOMWSDWCZJNZNA-UHFFFAOYSA-N 1 0 241.444 3.786 20 0 BHADRO CCSCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000610213479 398037671 /nfs/dbraw/zinc/03/76/71/398037671.db2.gz RCXYGQWTLMQJEV-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO CCSCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000610213480 398037900 /nfs/dbraw/zinc/03/79/00/398037900.db2.gz RCXYGQWTLMQJEV-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO CC[N@H+](CCCSC)Cc1ccc(C)cc1 ZINC000610368090 357813003 /nfs/dbraw/zinc/81/30/03/357813003.db2.gz FHXIDGLDARABCT-UHFFFAOYSA-N 1 0 237.412 3.570 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1CCCSC ZINC000610369568 357810811 /nfs/dbraw/zinc/81/08/11/357810811.db2.gz ABCIJSMSGQXZMA-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCSC ZINC000610369569 357810711 /nfs/dbraw/zinc/81/07/11/357810711.db2.gz ABCIJSMSGQXZMA-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO CSCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000610370823 357821412 /nfs/dbraw/zinc/82/14/12/357821412.db2.gz NCSVMOWIOXKSBD-UHFFFAOYSA-N 1 0 241.444 3.642 20 0 BHADRO CCSCC[NH+]1CCC(C2CCCC2)CC1 ZINC000610370883 357821712 /nfs/dbraw/zinc/82/17/12/357821712.db2.gz UEYADPVFSZZNIJ-UHFFFAOYSA-N 1 0 241.444 3.642 20 0 BHADRO CCS[C@H]1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000610371455 357832720 /nfs/dbraw/zinc/83/27/20/357832720.db2.gz COPMDFBBWRHGML-KBPBESRZSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000610371456 357832608 /nfs/dbraw/zinc/83/26/08/357832608.db2.gz COPMDFBBWRHGML-KGLIPLIRSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000610371457 357832459 /nfs/dbraw/zinc/83/24/59/357832459.db2.gz COPMDFBBWRHGML-UONOGXRCSA-N 1 0 241.444 3.783 20 0 BHADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000610371458 357832778 /nfs/dbraw/zinc/83/27/78/357832778.db2.gz COPMDFBBWRHGML-ZIAGYGMSSA-N 1 0 241.444 3.783 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)CCSC ZINC000610391610 357908156 /nfs/dbraw/zinc/90/81/56/357908156.db2.gz PXXQFDFPFJVBLX-GFCCVEGCSA-N 1 0 231.449 3.886 20 0 BHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)CCSC ZINC000610391611 357908466 /nfs/dbraw/zinc/90/84/66/357908466.db2.gz PXXQFDFPFJVBLX-LBPRGKRZSA-N 1 0 231.449 3.886 20 0 BHADRO CCSCC[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000610505816 357958187 /nfs/dbraw/zinc/95/81/87/357958187.db2.gz XRFMFQHBPFLXPT-AWEZNQCLSA-N 1 0 249.423 3.823 20 0 BHADRO CCSCC[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000610505817 357958317 /nfs/dbraw/zinc/95/83/17/357958317.db2.gz XRFMFQHBPFLXPT-CQSZACIVSA-N 1 0 249.423 3.823 20 0 BHADRO CSCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000610517177 357966177 /nfs/dbraw/zinc/96/61/77/357966177.db2.gz QPOKXGBQIQCEAG-UHFFFAOYSA-N 1 0 249.379 3.502 20 0 BHADRO CC[N@H+](CCSC)Cc1cc2ccccc2o1 ZINC000610605467 358011017 /nfs/dbraw/zinc/01/10/17/358011017.db2.gz IVTHLMPSCGKNTD-UHFFFAOYSA-N 1 0 249.379 3.618 20 0 BHADRO CSCC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000610788000 358163391 /nfs/dbraw/zinc/16/33/91/358163391.db2.gz DJEGWCTUFGFASD-HNNXBMFYSA-N 1 0 249.423 3.605 20 0 BHADRO CSCC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000610788001 358163342 /nfs/dbraw/zinc/16/33/42/358163342.db2.gz DJEGWCTUFGFASD-OAHLLOKOSA-N 1 0 249.423 3.605 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000610797041 358178246 /nfs/dbraw/zinc/17/82/46/358178246.db2.gz VKPQFJWQJCHCLW-CABCVRRESA-N 1 0 249.423 3.584 20 0 BHADRO CSCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000610797042 358178274 /nfs/dbraw/zinc/17/82/74/358178274.db2.gz VKPQFJWQJCHCLW-GJZGRUSLSA-N 1 0 249.423 3.584 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000610797043 358178054 /nfs/dbraw/zinc/17/80/54/358178054.db2.gz VKPQFJWQJCHCLW-HUUCEWRRSA-N 1 0 249.423 3.584 20 0 BHADRO CSCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000610797044 358178412 /nfs/dbraw/zinc/17/84/12/358178412.db2.gz VKPQFJWQJCHCLW-LSDHHAIUSA-N 1 0 249.423 3.584 20 0 BHADRO C[C@@H]([NH2+]CCSCc1ccccc1)C1CCC1 ZINC000610797305 358178291 /nfs/dbraw/zinc/17/82/91/358178291.db2.gz GWKYAYSIEBNTRA-CYBMUJFWSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@H]([NH2+]CCSCc1ccccc1)C1CCC1 ZINC000610797306 358178063 /nfs/dbraw/zinc/17/80/63/358178063.db2.gz GWKYAYSIEBNTRA-ZDUSSCGKSA-N 1 0 249.423 3.698 20 0 BHADRO CC[C@H]([NH2+]CCSCc1ccccc1)C1CC1 ZINC000610797322 358178465 /nfs/dbraw/zinc/17/84/65/358178465.db2.gz RGSKKMNFHPJOIF-HNNXBMFYSA-N 1 0 249.423 3.698 20 0 BHADRO CC[C@@H]([NH2+]CCSCc1ccccc1)C1CC1 ZINC000610797323 358178057 /nfs/dbraw/zinc/17/80/57/358178057.db2.gz RGSKKMNFHPJOIF-OAHLLOKOSA-N 1 0 249.423 3.698 20 0 BHADRO CS[C@H]1CCCC[N@H+](Cc2cccc(C)c2)C1 ZINC000610990546 358423929 /nfs/dbraw/zinc/42/39/29/358423929.db2.gz IVLDWOCZDKXWJC-HNNXBMFYSA-N 1 0 249.423 3.713 20 0 BHADRO CS[C@@H]1CCCC[N@H+](Cc2cccc(C)c2)C1 ZINC000610990547 358423214 /nfs/dbraw/zinc/42/32/14/358423214.db2.gz IVLDWOCZDKXWJC-OAHLLOKOSA-N 1 0 249.423 3.713 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000611032748 358488270 /nfs/dbraw/zinc/48/82/70/358488270.db2.gz GQXYVZIRJXCAGV-AWEZNQCLSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CSCCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000611032749 358488572 /nfs/dbraw/zinc/48/85/72/358488572.db2.gz GQXYVZIRJXCAGV-CQSZACIVSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)CSCCC[NH+]1CCC2(CC2)CC1 ZINC000611177465 358937738 /nfs/dbraw/zinc/93/77/38/358937738.db2.gz LZGGKJSQOBFBGZ-UHFFFAOYSA-N 1 0 241.444 3.642 20 0 BHADRO CSCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000611393251 359358665 /nfs/dbraw/zinc/35/86/65/359358665.db2.gz RPAJYQQDCAHWTN-DOMZBBRYSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000611393252 359358741 /nfs/dbraw/zinc/35/87/41/359358741.db2.gz RPAJYQQDCAHWTN-IUODEOHRSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000611393253 359358700 /nfs/dbraw/zinc/35/87/00/359358700.db2.gz RPAJYQQDCAHWTN-SWLSCSKDSA-N 1 0 249.423 3.653 20 0 BHADRO CSCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000611393254 359358790 /nfs/dbraw/zinc/35/87/90/359358790.db2.gz RPAJYQQDCAHWTN-WFASDCNBSA-N 1 0 249.423 3.653 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000611394511 359358952 /nfs/dbraw/zinc/35/89/52/359358952.db2.gz OOFZQBBEVYOGGW-JMSVASOKSA-N 1 0 249.423 3.651 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000611394512 359359042 /nfs/dbraw/zinc/35/90/42/359359042.db2.gz OOFZQBBEVYOGGW-LALPHHSUSA-N 1 0 249.423 3.651 20 0 BHADRO CS[C@H](C)C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000611394513 359358794 /nfs/dbraw/zinc/35/87/94/359358794.db2.gz OOFZQBBEVYOGGW-YWPYICTPSA-N 1 0 249.423 3.651 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000611394514 359358653 /nfs/dbraw/zinc/35/86/53/359358653.db2.gz OOFZQBBEVYOGGW-ZOWXZIJZSA-N 1 0 249.423 3.651 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCc2c1cccc2C ZINC000611395315 359359083 /nfs/dbraw/zinc/35/90/83/359359083.db2.gz PDXCMJZLPLRVRM-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCc2c1cccc2C ZINC000611395316 359359163 /nfs/dbraw/zinc/35/91/63/359359163.db2.gz PDXCMJZLPLRVRM-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCc2c1cccc2C ZINC000611395317 359358979 /nfs/dbraw/zinc/35/89/79/359358979.db2.gz PDXCMJZLPLRVRM-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1CCc2c1cccc2C ZINC000611395318 359358659 /nfs/dbraw/zinc/35/86/59/359358659.db2.gz PDXCMJZLPLRVRM-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CCSCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395643 359359069 /nfs/dbraw/zinc/35/90/69/359359069.db2.gz RHBYMYPOICCZNO-HNNXBMFYSA-N 1 0 249.423 3.871 20 0 BHADRO CCSCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395644 359358707 /nfs/dbraw/zinc/35/87/07/359358707.db2.gz RHBYMYPOICCZNO-OAHLLOKOSA-N 1 0 249.423 3.871 20 0 BHADRO c1ccc(CSCCC[N@H+]2CC=CCC2)cc1 ZINC000611517588 359387437 /nfs/dbraw/zinc/38/74/37/359387437.db2.gz UGGVTYPOMXHZFE-UHFFFAOYSA-N 1 0 247.407 3.572 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000612867228 360130104 /nfs/dbraw/zinc/13/01/04/360130104.db2.gz RNGWPMMLFFDXJJ-JOHMGYAOSA-N 1 0 215.340 3.574 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000612867229 360130442 /nfs/dbraw/zinc/13/04/42/360130442.db2.gz RNGWPMMLFFDXJJ-SMJHDNPOSA-N 1 0 215.340 3.574 20 0 BHADRO CSc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000612876835 360139027 /nfs/dbraw/zinc/13/90/27/360139027.db2.gz VCUMWLFGWVHEJC-BETUJISGSA-N 1 0 249.423 3.886 20 0 BHADRO CSc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000612876836 360138970 /nfs/dbraw/zinc/13/89/70/360138970.db2.gz VCUMWLFGWVHEJC-CHWSQXEVSA-N 1 0 249.423 3.886 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000612877886 360138903 /nfs/dbraw/zinc/13/89/03/360138903.db2.gz PRYAXGJSOODIES-CLOOOTJHSA-N 1 0 229.367 3.964 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000612877887 360138481 /nfs/dbraw/zinc/13/84/81/360138481.db2.gz PRYAXGJSOODIES-JXMNSVBMSA-N 1 0 229.367 3.964 20 0 BHADRO CC[NH+](CC)CCS[C@H]1CCc2ccccc21 ZINC000612998767 360250759 /nfs/dbraw/zinc/25/07/59/360250759.db2.gz JHIQZSZWCIHNQX-HNNXBMFYSA-N 1 0 249.423 3.749 20 0 BHADRO CC[NH+](CC)CCS[C@@H]1CCc2ccccc21 ZINC000612998772 360251415 /nfs/dbraw/zinc/25/14/15/360251415.db2.gz JHIQZSZWCIHNQX-OAHLLOKOSA-N 1 0 249.423 3.749 20 0 BHADRO CCCc1ccc(C[NH2+]CCCCOCC)cc1 ZINC000613263261 352292513 /nfs/dbraw/zinc/29/25/13/352292513.db2.gz SLHXACXQTHSEOM-UHFFFAOYSA-N 1 0 249.398 3.545 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000613288149 363060127 /nfs/dbraw/zinc/06/01/27/363060127.db2.gz PXUSNAJIUNVNDW-UHFFFAOYSA-N 1 0 229.323 3.522 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000613315273 363100224 /nfs/dbraw/zinc/10/02/24/363100224.db2.gz KDLISIBXYXZLNU-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000613315274 363099569 /nfs/dbraw/zinc/09/95/69/363099569.db2.gz KDLISIBXYXZLNU-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000613315275 363099627 /nfs/dbraw/zinc/09/96/27/363099627.db2.gz KEVZAHDNFNWHJO-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000613315276 363100026 /nfs/dbraw/zinc/10/00/26/363100026.db2.gz KEVZAHDNFNWHJO-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000613315354 363100141 /nfs/dbraw/zinc/10/01/41/363100141.db2.gz PBIMSZKHFCHKJN-CJNGLKHVSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000613315361 363100160 /nfs/dbraw/zinc/10/01/60/363100160.db2.gz PBIMSZKHFCHKJN-CZUORRHYSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000613315362 363100070 /nfs/dbraw/zinc/10/00/70/363100070.db2.gz PBIMSZKHFCHKJN-XJKSGUPXSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000613315606 363099599 /nfs/dbraw/zinc/09/95/99/363099599.db2.gz QHVDIODAIQBYJS-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000613315607 363099783 /nfs/dbraw/zinc/09/97/83/363099783.db2.gz QHVDIODAIQBYJS-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000613315608 363099494 /nfs/dbraw/zinc/09/94/94/363099494.db2.gz QHVDIODAIQBYJS-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000613315609 363099556 /nfs/dbraw/zinc/09/95/56/363099556.db2.gz QHVDIODAIQBYJS-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000613319795 363105360 /nfs/dbraw/zinc/10/53/60/363105360.db2.gz PCWIIKRLANOQDF-FRRDWIJNSA-N 1 0 235.346 3.865 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000613319798 363105394 /nfs/dbraw/zinc/10/53/94/363105394.db2.gz PCWIIKRLANOQDF-JHJVBQTASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000613319799 363105232 /nfs/dbraw/zinc/10/52/32/363105232.db2.gz PCWIIKRLANOQDF-UPJWGTAASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000613319800 363105343 /nfs/dbraw/zinc/10/53/43/363105343.db2.gz PCWIIKRLANOQDF-XQQFMLRXSA-N 1 0 235.346 3.865 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000613329813 363110500 /nfs/dbraw/zinc/11/05/00/363110500.db2.gz XGWSQEWCOPVNJY-UHFFFAOYSA-N 1 0 247.382 3.706 20 0 BHADRO C[C@H](c1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000613333037 363113234 /nfs/dbraw/zinc/11/32/34/363113234.db2.gz LDXMOVHJIBULPH-LLVKDONJSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000613333038 363113163 /nfs/dbraw/zinc/11/31/63/363113163.db2.gz LDXMOVHJIBULPH-NSHDSACASA-N 1 0 239.309 3.758 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000613333452 363112929 /nfs/dbraw/zinc/11/29/29/363112929.db2.gz AQUOEDDUKHXJNC-AWEZNQCLSA-N 1 0 247.382 3.848 20 0 BHADRO CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000613333455 363113460 /nfs/dbraw/zinc/11/34/60/363113460.db2.gz AQUOEDDUKHXJNC-CQSZACIVSA-N 1 0 247.382 3.848 20 0 BHADRO CCC[N@H+](C/C=C/c1ccccc1)CC1CC1 ZINC000613342956 363125981 /nfs/dbraw/zinc/12/59/81/363125981.db2.gz NETOSRKNPCYQGD-RMKNXTFCSA-N 1 0 229.367 3.822 20 0 BHADRO CCC[N@H+](C/C=C\c1ccccc1)CC1CC1 ZINC000613342957 363126286 /nfs/dbraw/zinc/12/62/86/363126286.db2.gz NETOSRKNPCYQGD-TWGQIWQCSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000613391072 363163061 /nfs/dbraw/zinc/16/30/61/363163061.db2.gz HKXBKJHWOVIBEP-AWEZNQCLSA-N 1 0 249.398 3.950 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000613391073 363162654 /nfs/dbraw/zinc/16/26/54/363162654.db2.gz HKXBKJHWOVIBEP-CQSZACIVSA-N 1 0 249.398 3.950 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000613391116 363163203 /nfs/dbraw/zinc/16/32/03/363163203.db2.gz MPLZPEZGZTZDMT-OCOPJHETSA-N 1 0 229.367 3.822 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000613391117 363162734 /nfs/dbraw/zinc/16/27/34/363162734.db2.gz MPLZPEZGZTZDMT-QARUFBMTSA-N 1 0 229.367 3.822 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000613391118 363162818 /nfs/dbraw/zinc/16/28/18/363162818.db2.gz MPLZPEZGZTZDMT-USYSOWRXSA-N 1 0 229.367 3.822 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000613391119 363163070 /nfs/dbraw/zinc/16/30/70/363163070.db2.gz MPLZPEZGZTZDMT-XKOZXHHJSA-N 1 0 229.367 3.822 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000613393714 398096078 /nfs/dbraw/zinc/09/60/78/398096078.db2.gz WBCILJILPMPIOQ-CYBMUJFWSA-N 1 0 247.382 3.704 20 0 BHADRO CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000613393716 398095881 /nfs/dbraw/zinc/09/58/81/398095881.db2.gz WBCILJILPMPIOQ-ZDUSSCGKSA-N 1 0 247.382 3.704 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1C2CCC1CC2 ZINC000613402637 363175742 /nfs/dbraw/zinc/17/57/42/363175742.db2.gz GPOZTTXCUSMHSS-UNXYVOJBSA-N 1 0 219.303 3.514 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1C2CCC1CC2 ZINC000613402653 363175876 /nfs/dbraw/zinc/17/58/76/363175876.db2.gz GPOZTTXCUSMHSS-VOMCLLRMSA-N 1 0 219.303 3.514 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000613402659 363175442 /nfs/dbraw/zinc/17/54/42/363175442.db2.gz GRJYXLQKQDOOHD-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO C[C@H](c1c(F)cccc1F)[NH+]1C2CCC1CC2 ZINC000613403401 363179852 /nfs/dbraw/zinc/17/98/52/363179852.db2.gz SXEFANNNMDLYDB-KPPDAEKUSA-N 1 0 237.293 3.653 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[NH+]1C2CCC1CC2 ZINC000613403412 363179599 /nfs/dbraw/zinc/17/95/99/363179599.db2.gz SXEFANNNMDLYDB-WHXUTIOJSA-N 1 0 237.293 3.653 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC000613408046 363183794 /nfs/dbraw/zinc/18/37/94/363183794.db2.gz DLGKBWJDKUMZJR-BCNIOPEESA-N 1 0 217.356 3.820 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC000613408051 363183020 /nfs/dbraw/zinc/18/30/20/363183020.db2.gz DLGKBWJDKUMZJR-CEFACKQISA-N 1 0 217.356 3.820 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC000613408052 363182756 /nfs/dbraw/zinc/18/27/56/363182756.db2.gz DLGKBWJDKUMZJR-ICDLMJIXSA-N 1 0 217.356 3.820 20 0 BHADRO CCC[C@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC000613408055 363183604 /nfs/dbraw/zinc/18/36/04/363183604.db2.gz DLGKBWJDKUMZJR-UNJUUPHPSA-N 1 0 217.356 3.820 20 0 BHADRO CC(C)C[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000613409816 363186970 /nfs/dbraw/zinc/18/69/70/363186970.db2.gz SJYQQSJXJYGUSW-RMKNXTFCSA-N 1 0 229.367 3.820 20 0 BHADRO CC(C)C[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000613409817 363187342 /nfs/dbraw/zinc/18/73/42/363187342.db2.gz SJYQQSJXJYGUSW-TWGQIWQCSA-N 1 0 229.367 3.820 20 0 BHADRO CC[N@@H+](Cc1cccc(OC(C)C)c1)CC(C)C ZINC000613416371 363192980 /nfs/dbraw/zinc/19/29/80/363192980.db2.gz DNHNXXNZNINGAK-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CC[N@H+](CCCc1ccccc1)CC(C)C ZINC000613416400 363191440 /nfs/dbraw/zinc/19/14/40/363191440.db2.gz HNOJRZHIAYYWDQ-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000613416725 363193019 /nfs/dbraw/zinc/19/30/19/363193019.db2.gz XTAGOYBOUFJTAJ-BFHYXJOUSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000613416726 363192786 /nfs/dbraw/zinc/19/27/86/363192786.db2.gz XTAGOYBOUFJTAJ-IHRRRGAJSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000613416728 363192998 /nfs/dbraw/zinc/19/29/98/363192998.db2.gz XTAGOYBOUFJTAJ-MELADBBJSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000613416729 363192886 /nfs/dbraw/zinc/19/28/86/363192886.db2.gz XTAGOYBOUFJTAJ-MJBXVCDLSA-N 1 0 209.377 3.543 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cccc(OC)c1 ZINC000613423140 398107889 /nfs/dbraw/zinc/10/78/89/398107889.db2.gz BCJQHWAHKXFLHQ-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC000613423409 363205333 /nfs/dbraw/zinc/20/53/33/363205333.db2.gz MCTOWYOFPZOUDF-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CC[N@@H+](CC=C(C)C)CCc1ccccc1 ZINC000613440722 363241295 /nfs/dbraw/zinc/24/12/95/363241295.db2.gz ZREHNVXDEDNLTK-UHFFFAOYSA-N 1 0 217.356 3.517 20 0 BHADRO Cc1ccc(C[N@H+](CC2CCCC2)C2CC2)o1 ZINC000613443489 363261586 /nfs/dbraw/zinc/26/15/86/363261586.db2.gz KVHGDNIJTLTTQX-UHFFFAOYSA-N 1 0 233.355 3.743 20 0 BHADRO Cc1cccc(C[N@H+](C)CCc2ccccc2)c1 ZINC000613450060 363274658 /nfs/dbraw/zinc/27/46/58/363274658.db2.gz ZSRDHNMUMXBLKD-UHFFFAOYSA-N 1 0 239.362 3.670 20 0 BHADRO CC(C)=CC[N@H+](C)CCCCc1ccccc1 ZINC000613456745 363312446 /nfs/dbraw/zinc/31/24/46/363312446.db2.gz NIOFEVYIPJUCEZ-UHFFFAOYSA-N 1 0 231.383 3.907 20 0 BHADRO CC(C)C[N@H+](C)CCCCc1ccccc1 ZINC000613456814 363318304 /nfs/dbraw/zinc/31/83/04/363318304.db2.gz VDNOYZBRAJWEBN-UHFFFAOYSA-N 1 0 219.372 3.597 20 0 BHADRO CC[N@@H+](Cc1ccc(OC)cc1)CC1CCCC1 ZINC000613459519 363358452 /nfs/dbraw/zinc/35/84/52/363358452.db2.gz RDGIWAPMPPPJSE-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000613464319 363368729 /nfs/dbraw/zinc/36/87/29/363368729.db2.gz BXEOHKBOMHLFHT-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000613464322 363368889 /nfs/dbraw/zinc/36/88/89/363368889.db2.gz BXEOHKBOMHLFHT-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO CCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000613464935 363372308 /nfs/dbraw/zinc/37/23/08/363372308.db2.gz QFMXHKHTRYENJD-UHFFFAOYSA-N 1 0 223.747 3.714 20 0 BHADRO CCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000613467714 363383207 /nfs/dbraw/zinc/38/32/07/363383207.db2.gz WUUATGBEFVVDLC-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000613469394 363382968 /nfs/dbraw/zinc/38/29/68/363382968.db2.gz BPBLEVFZIMDNAP-UHFFFAOYSA-N 1 0 233.355 3.990 20 0 BHADRO CCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000613469431 363382734 /nfs/dbraw/zinc/38/27/34/363382734.db2.gz CRHCOYWGXZNQQR-UHFFFAOYSA-N 1 0 221.344 3.824 20 0 BHADRO CCC[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000613472571 363422450 /nfs/dbraw/zinc/42/24/50/363422450.db2.gz GLQCQNOEKODSKE-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CC(C)=CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000613473008 363429875 /nfs/dbraw/zinc/42/98/75/363429875.db2.gz ZMQCXQXPMWMCJM-UHFFFAOYSA-N 1 0 221.388 3.996 20 0 BHADRO CCCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000613474360 363450054 /nfs/dbraw/zinc/45/00/54/363450054.db2.gz CVTYQTXHOAMUEP-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000613475485 363453006 /nfs/dbraw/zinc/45/30/06/363453006.db2.gz ATUSIISJKXEKNS-UHFFFAOYSA-N 1 0 244.165 3.835 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000613475951 388378331 /nfs/dbraw/zinc/37/83/31/388378331.db2.gz AFSARUKYVAEELF-UHFFFAOYSA-N 1 0 244.165 3.835 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000613476003 388378362 /nfs/dbraw/zinc/37/83/62/388378362.db2.gz CXXVQZNBVABHCL-INIZCTEOSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000613476004 388378217 /nfs/dbraw/zinc/37/82/17/388378217.db2.gz CXXVQZNBVABHCL-MRXNPFEDSA-N 1 0 231.383 3.740 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000613476223 363453491 /nfs/dbraw/zinc/45/34/91/363453491.db2.gz MMCCJNQLWJMYHE-INIZCTEOSA-N 1 0 231.383 3.884 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000613476225 363454289 /nfs/dbraw/zinc/45/42/89/363454289.db2.gz MMCCJNQLWJMYHE-MRXNPFEDSA-N 1 0 231.383 3.884 20 0 BHADRO CC(C)=CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000613482771 363459284 /nfs/dbraw/zinc/45/92/84/363459284.db2.gz JVCGGCOAIGIHSM-UHFFFAOYSA-N 1 0 233.330 3.756 20 0 BHADRO CCOc1ccccc1C[N@H+](C)CCC(C)C ZINC000613484096 363454351 /nfs/dbraw/zinc/45/43/51/363454351.db2.gz HHTBMEXYHPUSJT-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000613484734 363455568 /nfs/dbraw/zinc/45/55/68/363455568.db2.gz MIPUQUJAPYMHQE-LLVKDONJSA-N 1 0 225.763 3.989 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000613484740 363455501 /nfs/dbraw/zinc/45/55/01/363455501.db2.gz MIPUQUJAPYMHQE-NSHDSACASA-N 1 0 225.763 3.989 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000613485471 363455455 /nfs/dbraw/zinc/45/54/55/363455455.db2.gz FHVIFHIETMRASD-LLVKDONJSA-N 1 0 225.763 3.989 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000613485472 363455622 /nfs/dbraw/zinc/45/56/22/363455622.db2.gz FHVIFHIETMRASD-NSHDSACASA-N 1 0 225.763 3.989 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000613493423 363464854 /nfs/dbraw/zinc/46/48/54/363464854.db2.gz HIDSEQBTCIYVLB-HNNXBMFYSA-N 1 0 217.356 3.932 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000613493426 363464991 /nfs/dbraw/zinc/46/49/91/363464991.db2.gz HIDSEQBTCIYVLB-OAHLLOKOSA-N 1 0 217.356 3.932 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000613494081 363459422 /nfs/dbraw/zinc/45/94/22/363459422.db2.gz UGIGUYWPYZJWOY-HNNXBMFYSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000613494084 363459602 /nfs/dbraw/zinc/45/96/02/363459602.db2.gz UGIGUYWPYZJWOY-OAHLLOKOSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)CCC(C)C)c1 ZINC000613502109 363465702 /nfs/dbraw/zinc/46/57/02/363465702.db2.gz AFOQQJOKKVTBJX-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC(C)CC[N@H+](C)C/C=C/c1ccccc1 ZINC000613502142 363465956 /nfs/dbraw/zinc/46/59/56/363465956.db2.gz FYVDKYLACIWXCQ-JXMROGBWSA-N 1 0 217.356 3.678 20 0 BHADRO CC(C)CC[N@H+](C)C/C=C\c1ccccc1 ZINC000613502143 363466109 /nfs/dbraw/zinc/46/61/09/363466109.db2.gz FYVDKYLACIWXCQ-YFHOEESVSA-N 1 0 217.356 3.678 20 0 BHADRO Cc1ccc(C)c(C[N@@H+](C)CCC(C)C)c1 ZINC000613502206 363465859 /nfs/dbraw/zinc/46/58/59/363465859.db2.gz LAEBYRQUVFGTHS-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC(C)=CC[N@H+](CC1CCCCC1)C1CC1 ZINC000613502595 363465232 /nfs/dbraw/zinc/46/52/32/363465232.db2.gz OUPFIKWFQFENSY-UHFFFAOYSA-N 1 0 221.388 3.997 20 0 BHADRO CC(C)CC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000613502633 363465618 /nfs/dbraw/zinc/46/56/18/363465618.db2.gz VIFPRGOMIISZRL-CABCVRRESA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000613502635 363465308 /nfs/dbraw/zinc/46/53/08/363465308.db2.gz VIFPRGOMIISZRL-GJZGRUSLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000613502637 363465437 /nfs/dbraw/zinc/46/54/37/363465437.db2.gz VIFPRGOMIISZRL-HUUCEWRRSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000613502638 363465730 /nfs/dbraw/zinc/46/57/30/363465730.db2.gz VIFPRGOMIISZRL-LSDHHAIUSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000613502767 363466055 /nfs/dbraw/zinc/46/60/55/363466055.db2.gz ZSILAYXRUFHAQT-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000613503046 363465921 /nfs/dbraw/zinc/46/59/21/363465921.db2.gz AAYRTOCXAVCLLE-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000613503090 363466064 /nfs/dbraw/zinc/46/60/64/363466064.db2.gz MSDFSDDWBHRJMA-UHFFFAOYSA-N 1 0 237.774 3.962 20 0 BHADRO CCC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000613503112 363465989 /nfs/dbraw/zinc/46/59/89/363465989.db2.gz QQCPHHICAMFLLB-UHFFFAOYSA-N 1 0 247.382 3.578 20 0 BHADRO CCC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000613503197 363465283 /nfs/dbraw/zinc/46/52/83/363465283.db2.gz YHZCAZOFOCTDCL-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000613504404 363467069 /nfs/dbraw/zinc/46/70/69/363467069.db2.gz PEEKJUAJXQELJP-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO Cc1cccc(C[N@H+](C)CC2CCCC2)c1 ZINC000613506977 363467975 /nfs/dbraw/zinc/46/79/75/363467975.db2.gz WLBWYWGEXUGKCS-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000613560569 363485770 /nfs/dbraw/zinc/48/57/70/363485770.db2.gz FVKXHBVPFQSTPW-HNNXBMFYSA-N 1 0 233.330 3.929 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000613560577 363485754 /nfs/dbraw/zinc/48/57/54/363485754.db2.gz FVKXHBVPFQSTPW-OAHLLOKOSA-N 1 0 233.330 3.929 20 0 BHADRO Cc1ccccc1OCCC[N@@H+](C)CCC(C)C ZINC000613565660 363495672 /nfs/dbraw/zinc/49/56/72/363495672.db2.gz SCGMLOYUUJSYPS-UHFFFAOYSA-N 1 0 249.398 3.742 20 0 BHADRO CC(C)=CC[N@H+](C)CCCOc1ccccc1C ZINC000613565722 363496569 /nfs/dbraw/zinc/49/65/69/363496569.db2.gz UZCKBDGLGHWFCS-UHFFFAOYSA-N 1 0 247.382 3.662 20 0 BHADRO CC[N@H+](Cc1cccc(OC(C)C)c1)C(C)C ZINC000613570127 363511647 /nfs/dbraw/zinc/51/16/47/363511647.db2.gz CTLGKCCVUGOJQT-UHFFFAOYSA-N 1 0 235.371 3.704 20 0 BHADRO CC[N@H+](CCCOc1cc(C)ccc1C)C(C)C ZINC000613570142 363512118 /nfs/dbraw/zinc/51/21/18/363512118.db2.gz FRQKAJAJGFGTPI-UHFFFAOYSA-N 1 0 249.398 3.803 20 0 BHADRO CC[N@H+](CCCOc1ccc(C)c(C)c1)C(C)C ZINC000613570170 363512303 /nfs/dbraw/zinc/51/23/03/363512303.db2.gz JMLUCWZBZIILAK-UHFFFAOYSA-N 1 0 249.398 3.803 20 0 BHADRO CC[N@H+](Cc1cc(C)cc(C)c1)C(C)C ZINC000613570191 363511015 /nfs/dbraw/zinc/51/10/15/363511015.db2.gz PHJGAEUZDWYJOP-UHFFFAOYSA-N 1 0 205.345 3.534 20 0 BHADRO CC[N@H+](CCSc1ccc(F)cc1)C(C)C ZINC000613570224 363510749 /nfs/dbraw/zinc/51/07/49/363510749.db2.gz YQDZLYGNHNWNFE-UHFFFAOYSA-N 1 0 241.375 3.648 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc(F)ccc1F)C(C)(C)C ZINC000613599248 363531136 /nfs/dbraw/zinc/53/11/36/363531136.db2.gz MOUNXLXRMADXNN-JTQLQIEISA-N 1 0 241.325 3.831 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1F)C(C)(C)C ZINC000613599251 363530508 /nfs/dbraw/zinc/53/05/08/363530508.db2.gz MOUNXLXRMADXNN-SNVBAGLBSA-N 1 0 241.325 3.831 20 0 BHADRO CSCC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000613662053 363611915 /nfs/dbraw/zinc/61/19/15/363611915.db2.gz QZVLZFPRPSOABO-AWEZNQCLSA-N 1 0 249.423 3.633 20 0 BHADRO CSCC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000613662069 363611895 /nfs/dbraw/zinc/61/18/95/363611895.db2.gz QZVLZFPRPSOABO-CQSZACIVSA-N 1 0 249.423 3.633 20 0 BHADRO CCC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733021 363628183 /nfs/dbraw/zinc/62/81/83/363628183.db2.gz JWWSVVXCIPJUIJ-AWEZNQCLSA-N 1 0 242.366 3.757 20 0 BHADRO CCC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733049 363628170 /nfs/dbraw/zinc/62/81/70/363628170.db2.gz JWWSVVXCIPJUIJ-CQSZACIVSA-N 1 0 242.366 3.757 20 0 BHADRO CC(C)[NH+](Cc1cccc(Cl)c1)C(C)C ZINC000614120183 363722894 /nfs/dbraw/zinc/72/28/94/363722894.db2.gz GUAKEICKYCEVHS-UHFFFAOYSA-N 1 0 225.763 3.959 20 0 BHADRO CSCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000614631461 363912774 /nfs/dbraw/zinc/91/27/74/363912774.db2.gz SRJNRNXJRLZXSX-HNNXBMFYSA-N 1 0 249.423 3.789 20 0 BHADRO CSCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000614631462 363913296 /nfs/dbraw/zinc/91/32/96/363913296.db2.gz SRJNRNXJRLZXSX-OAHLLOKOSA-N 1 0 249.423 3.789 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000615084901 364469467 /nfs/dbraw/zinc/46/94/67/364469467.db2.gz KCXCJUFLUSXFNF-CABCVRRESA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000615084902 364469533 /nfs/dbraw/zinc/46/95/33/364469533.db2.gz KCXCJUFLUSXFNF-GJZGRUSLSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000615084903 364469318 /nfs/dbraw/zinc/46/93/18/364469318.db2.gz KCXCJUFLUSXFNF-HUUCEWRRSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000615084904 364470319 /nfs/dbraw/zinc/47/03/19/364470319.db2.gz KCXCJUFLUSXFNF-LSDHHAIUSA-N 1 0 231.383 3.740 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000615084993 364470376 /nfs/dbraw/zinc/47/03/76/364470376.db2.gz XBKHQOAPCJSWEL-AWEZNQCLSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000615084994 364469818 /nfs/dbraw/zinc/46/98/18/364469818.db2.gz XBKHQOAPCJSWEL-CQSZACIVSA-N 1 0 247.382 3.706 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccccc1OC(C)C ZINC000615098072 364477256 /nfs/dbraw/zinc/47/72/56/364477256.db2.gz PJBCDYDPZGFUIT-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000615098865 364487031 /nfs/dbraw/zinc/48/70/31/364487031.db2.gz RTJRNULHCGBPJO-INIZCTEOSA-N 1 0 247.357 3.799 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000615098866 364486976 /nfs/dbraw/zinc/48/69/76/364486976.db2.gz RTJRNULHCGBPJO-MRXNPFEDSA-N 1 0 247.357 3.799 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000615106947 364496929 /nfs/dbraw/zinc/49/69/29/364496929.db2.gz CWBBEJOLWMRZPE-INIZCTEOSA-N 1 0 247.357 3.980 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000615106949 364496793 /nfs/dbraw/zinc/49/67/93/364496793.db2.gz CWBBEJOLWMRZPE-MRXNPFEDSA-N 1 0 247.357 3.980 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000615107559 364497029 /nfs/dbraw/zinc/49/70/29/364497029.db2.gz ZSOCULSLLIOBOV-AWEZNQCLSA-N 1 0 207.361 3.607 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000615107567 364496687 /nfs/dbraw/zinc/49/66/87/364496687.db2.gz ZSOCULSLLIOBOV-CQSZACIVSA-N 1 0 207.361 3.607 20 0 BHADRO CC[N@H+](CCOCCC(C)C)Cc1ccccc1 ZINC000615340112 364699947 /nfs/dbraw/zinc/69/99/47/364699947.db2.gz ZPSJBTMXOGBTEI-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO CC(C)CCOCC[N@H+](C)C1CCCCCC1 ZINC000615340319 364700645 /nfs/dbraw/zinc/70/06/45/364700645.db2.gz MJMXZZVKDDNGLT-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOCC[N@H+](CC)Cc1ccccc1C ZINC000615346256 388940568 /nfs/dbraw/zinc/94/05/68/388940568.db2.gz FPFILUQRQJEQMH-UHFFFAOYSA-N 1 0 249.398 3.634 20 0 BHADRO CCCCOCC[N@H+](Cc1ccccc1)C(C)C ZINC000615346503 388941362 /nfs/dbraw/zinc/94/13/62/388941362.db2.gz RRWXLNCKTPTPHP-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000615347056 364702940 /nfs/dbraw/zinc/70/29/40/364702940.db2.gz CFSCGGXUPBFWJD-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000615347058 364702756 /nfs/dbraw/zinc/70/27/56/364702756.db2.gz CFSCGGXUPBFWJD-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C)CC1 ZINC000615453967 367904023 /nfs/dbraw/zinc/90/40/23/367904023.db2.gz IANDHPHPXXDUAY-LLVKDONJSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C)CC1 ZINC000615453971 367903368 /nfs/dbraw/zinc/90/33/68/367903368.db2.gz IANDHPHPXXDUAY-NSHDSACASA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615453984 367903724 /nfs/dbraw/zinc/90/37/24/367903724.db2.gz KHFMUTQSKPZXGT-FRRDWIJNSA-N 1 0 235.346 3.865 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000615453986 367903420 /nfs/dbraw/zinc/90/34/20/367903420.db2.gz KHFMUTQSKPZXGT-JHJVBQTASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000615453988 367902973 /nfs/dbraw/zinc/90/29/73/367902973.db2.gz KHFMUTQSKPZXGT-UPJWGTAASA-N 1 0 235.346 3.865 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615453989 367904019 /nfs/dbraw/zinc/90/40/19/367904019.db2.gz KHFMUTQSKPZXGT-XQQFMLRXSA-N 1 0 235.346 3.865 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000615454027 367903165 /nfs/dbraw/zinc/90/31/65/367903165.db2.gz NEWXAUVJKMFANS-GHMZBOCLSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000615454028 367903404 /nfs/dbraw/zinc/90/34/04/367903404.db2.gz NEWXAUVJKMFANS-MNOVXSKESA-N 1 0 239.309 3.758 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000615454029 367903058 /nfs/dbraw/zinc/90/30/58/367903058.db2.gz NEWXAUVJKMFANS-QWRGUYRKSA-N 1 0 239.309 3.758 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000615454030 367902919 /nfs/dbraw/zinc/90/29/19/367902919.db2.gz NEWXAUVJKMFANS-WDEREUQCSA-N 1 0 239.309 3.758 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000615454049 367903788 /nfs/dbraw/zinc/90/37/88/367903788.db2.gz QDIMBJNVPXXZJR-HNNXBMFYSA-N 1 0 249.398 3.742 20 0 BHADRO CC(C)CCOCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000615454050 367903844 /nfs/dbraw/zinc/90/38/44/367903844.db2.gz QDIMBJNVPXXZJR-OAHLLOKOSA-N 1 0 249.398 3.742 20 0 BHADRO CC(C)CCOCC[N@H+](C)C1CCC(C)CC1 ZINC000615454084 367903234 /nfs/dbraw/zinc/90/32/34/367903234.db2.gz RPAMEBPMXBWWOI-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000615454343 367905038 /nfs/dbraw/zinc/90/50/38/367905038.db2.gz QDBZCBNBJCWTBW-NWDGAFQWSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000615454344 367905454 /nfs/dbraw/zinc/90/54/54/367905454.db2.gz QDBZCBNBJCWTBW-VXGBXAGGSA-N 1 0 221.319 3.619 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1C2CCC1CC2 ZINC000615455471 367905376 /nfs/dbraw/zinc/90/53/76/367905376.db2.gz PODLXGVXOQUCOT-FNBIGBAISA-N 1 0 219.303 3.514 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1C2CCC1CC2 ZINC000615455475 367904443 /nfs/dbraw/zinc/90/44/43/367904443.db2.gz PODLXGVXOQUCOT-GWMXKSKGSA-N 1 0 219.303 3.514 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[NH+]1C2CCC1CC2 ZINC000615455484 367905089 /nfs/dbraw/zinc/90/50/89/367905089.db2.gz QSZXYUORDXBXKA-GCVQQVDUSA-N 1 0 237.293 3.653 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[NH+]1C2CCC1CC2 ZINC000615455485 367904421 /nfs/dbraw/zinc/90/44/21/367904421.db2.gz QSZXYUORDXBXKA-OIKLOGQESA-N 1 0 237.293 3.653 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1C2CCC1CC2 ZINC000615455602 367904646 /nfs/dbraw/zinc/90/46/46/367904646.db2.gz XPOOMYMKBAAIHR-IUDNXUCKSA-N 1 0 229.367 3.635 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH+]1C2CCC1CC2 ZINC000615455610 367905371 /nfs/dbraw/zinc/90/53/71/367905371.db2.gz XPOOMYMKBAAIHR-JEYLPNPQSA-N 1 0 229.367 3.635 20 0 BHADRO CC(C)CCOCC[N@H+](CCC(C)C)C1CC1 ZINC000615455859 367911433 /nfs/dbraw/zinc/91/14/33/367911433.db2.gz BDJJBRXJJPOSHB-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC[N@H+](CCOCCC(C)C)C1CCCCC1 ZINC000615455926 367910675 /nfs/dbraw/zinc/91/06/75/367910675.db2.gz SNOCJVQJBUVMAB-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCOCC[N@H+](C1CC1)C1CCCCC1 ZINC000615455935 367911058 /nfs/dbraw/zinc/91/10/58/367911058.db2.gz WVDHTAJQNCPFTO-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCOCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000615462941 367961052 /nfs/dbraw/zinc/96/10/52/367961052.db2.gz LEDMICVLOTXKCJ-HNNXBMFYSA-N 1 0 249.398 3.805 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000615463312 367964444 /nfs/dbraw/zinc/96/44/44/367964444.db2.gz ZGBYWZZCEZEXCD-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000615463313 367964071 /nfs/dbraw/zinc/96/40/71/367964071.db2.gz ZGBYWZZCEZEXCD-GJZGRUSLSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000615463315 367964242 /nfs/dbraw/zinc/96/42/42/367964242.db2.gz ZGBYWZZCEZEXCD-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000615463316 367964279 /nfs/dbraw/zinc/96/42/79/367964279.db2.gz ZGBYWZZCEZEXCD-LSDHHAIUSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CCOC(C)C)c(C)c1 ZINC000615464021 367963100 /nfs/dbraw/zinc/96/31/00/367963100.db2.gz QSVBAHWFLHOFAG-HNNXBMFYSA-N 1 0 249.398 3.721 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CCOC(C)C)c(C)c1 ZINC000615464023 367962860 /nfs/dbraw/zinc/96/28/60/367962860.db2.gz QSVBAHWFLHOFAG-OAHLLOKOSA-N 1 0 249.398 3.721 20 0 BHADRO CSCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000617301779 350708534 /nfs/dbraw/zinc/70/85/34/350708534.db2.gz DPGPMGPVPUEZPN-LLVKDONJSA-N 1 0 249.379 3.755 20 0 BHADRO CSCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000617301780 350708810 /nfs/dbraw/zinc/70/88/10/350708810.db2.gz DPGPMGPVPUEZPN-NSHDSACASA-N 1 0 249.379 3.755 20 0 BHADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000618467939 369149591 /nfs/dbraw/zinc/14/95/91/369149591.db2.gz AIZOOMVHWBCFEW-HNNXBMFYSA-N 1 0 241.334 3.835 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000618467940 369150024 /nfs/dbraw/zinc/15/00/24/369150024.db2.gz AIZOOMVHWBCFEW-OAHLLOKOSA-N 1 0 241.334 3.835 20 0 BHADRO CSCC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000618561725 369172166 /nfs/dbraw/zinc/17/21/66/369172166.db2.gz XKNWFMPQIJNULD-CABCVRRESA-N 1 0 249.423 3.824 20 0 BHADRO CSCC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000618561726 369172034 /nfs/dbraw/zinc/17/20/34/369172034.db2.gz XKNWFMPQIJNULD-GJZGRUSLSA-N 1 0 249.423 3.824 20 0 BHADRO CSCC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000618561727 369172237 /nfs/dbraw/zinc/17/22/37/369172237.db2.gz XKNWFMPQIJNULD-HUUCEWRRSA-N 1 0 249.423 3.824 20 0 BHADRO CSCC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000618561728 369170821 /nfs/dbraw/zinc/17/08/21/369170821.db2.gz XKNWFMPQIJNULD-LSDHHAIUSA-N 1 0 249.423 3.824 20 0 BHADRO CCCc1ccc(C[NH2+]CC2(SC)CC2)cc1 ZINC000618968423 364559067 /nfs/dbraw/zinc/55/90/67/364559067.db2.gz XEFVMTHCYXUUOT-UHFFFAOYSA-N 1 0 249.423 3.624 20 0 BHADRO CC1(C)CC([NH2+]CCSCc2ccccc2)C1 ZINC000618981415 369251890 /nfs/dbraw/zinc/25/18/90/369251890.db2.gz OTVSIPJNYGKBRK-UHFFFAOYSA-N 1 0 249.423 3.698 20 0 BHADRO CC[N@H+](CC(C)C)[C@H]1CCc2ccccc21 ZINC000618986638 369251726 /nfs/dbraw/zinc/25/17/26/369251726.db2.gz KSRZDRUSADZVFG-HNNXBMFYSA-N 1 0 217.356 3.652 20 0 BHADRO CC[N@H+](CC(C)C)[C@@H]1CCc2ccccc21 ZINC000618986639 369252157 /nfs/dbraw/zinc/25/21/57/369252157.db2.gz KSRZDRUSADZVFG-OAHLLOKOSA-N 1 0 217.356 3.652 20 0 BHADRO C[C@H](C[NH2+]CCSCc1ccccc1)C1CC1 ZINC000619534935 369466478 /nfs/dbraw/zinc/46/64/78/369466478.db2.gz UDAPUYPBXYPOGV-CYBMUJFWSA-N 1 0 249.423 3.556 20 0 BHADRO C[C@@H](C[NH2+]CCSCc1ccccc1)C1CC1 ZINC000619534936 369467175 /nfs/dbraw/zinc/46/71/75/369467175.db2.gz UDAPUYPBXYPOGV-ZDUSSCGKSA-N 1 0 249.423 3.556 20 0 BHADRO CC(C)C1C[NH+](CCSCc2ccccc2)C1 ZINC000619534955 369466968 /nfs/dbraw/zinc/46/69/68/369466968.db2.gz ILGDKJKEKCVDHR-UHFFFAOYSA-N 1 0 249.423 3.508 20 0 BHADRO CSCCC[N@H+](C)Cc1cscc1Cl ZINC000619613122 369494201 /nfs/dbraw/zinc/49/42/01/369494201.db2.gz KWDCKNMPYXSTFC-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO CSCCC[N@H+](C)Cc1ccccc1C1CC1 ZINC000619613150 369493679 /nfs/dbraw/zinc/49/36/79/369493679.db2.gz OQYXWXVAXAEXPV-UHFFFAOYSA-N 1 0 249.423 3.749 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccoc2C)cc1 ZINC000619766470 369582544 /nfs/dbraw/zinc/58/25/44/369582544.db2.gz LNHSPOIVNFLPQC-UHFFFAOYSA-N 1 0 243.350 3.830 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000619766516 369582308 /nfs/dbraw/zinc/58/23/08/369582308.db2.gz RFXFGXQMBACDJZ-BXUZGUMPSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000619766517 369582540 /nfs/dbraw/zinc/58/25/40/369582540.db2.gz RFXFGXQMBACDJZ-FZMZJTMJSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000619766518 369582502 /nfs/dbraw/zinc/58/25/02/369582502.db2.gz RFXFGXQMBACDJZ-RISCZKNCSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000619766519 369582374 /nfs/dbraw/zinc/58/23/74/369582374.db2.gz RFXFGXQMBACDJZ-SMDDNHRTSA-N 1 0 235.371 3.892 20 0 BHADRO CC(C)SCC[N@H+](C1CC1)C1CCCCC1 ZINC000619779240 369583930 /nfs/dbraw/zinc/58/39/30/369583930.db2.gz GSRYWTYAIXPHLY-UHFFFAOYSA-N 1 0 241.444 3.925 20 0 BHADRO CC(C)SCC[NH+]1C2CCCC1CCC2 ZINC000619779519 369584725 /nfs/dbraw/zinc/58/47/25/369584725.db2.gz LLVZWJQZGNLIAG-UHFFFAOYSA-N 1 0 227.417 3.535 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000619779715 369584718 /nfs/dbraw/zinc/58/47/18/369584718.db2.gz WNPKQJYEQRSBOQ-CYBMUJFWSA-N 1 0 231.383 3.775 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1 ZINC000619779716 369584745 /nfs/dbraw/zinc/58/47/45/369584745.db2.gz WNPKQJYEQRSBOQ-ZDUSSCGKSA-N 1 0 231.383 3.775 20 0 BHADRO CSCC[C@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000619844560 369617491 /nfs/dbraw/zinc/61/74/91/369617491.db2.gz UFPWIJCSKKRQAS-NEPJUHHUSA-N 1 0 231.449 3.742 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC000619844561 369617305 /nfs/dbraw/zinc/61/73/05/369617305.db2.gz UFPWIJCSKKRQAS-NWDGAFQWSA-N 1 0 231.449 3.742 20 0 BHADRO CSCC[C@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC000619844562 369617881 /nfs/dbraw/zinc/61/78/81/369617881.db2.gz UFPWIJCSKKRQAS-RYUDHWBXSA-N 1 0 231.449 3.742 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000619844563 369617703 /nfs/dbraw/zinc/61/77/03/369617703.db2.gz UFPWIJCSKKRQAS-VXGBXAGGSA-N 1 0 231.449 3.742 20 0 BHADRO CCCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000619888245 369624929 /nfs/dbraw/zinc/62/49/29/369624929.db2.gz KXXGCHQVFAWKSE-UHFFFAOYSA-N 1 0 223.335 3.836 20 0 BHADRO CCCC[N@H+](Cc1cccs1)C(C)C ZINC000619888510 369624789 /nfs/dbraw/zinc/62/47/89/369624789.db2.gz UZFPDKQXYKDSQM-UHFFFAOYSA-N 1 0 211.374 3.759 20 0 BHADRO Cc1ccc(C[N@H+](C)CCOC(C)(C)C)c(C)c1 ZINC000619971451 369644353 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SPCXNWIFADHEJF-JTQLQIEISA-N 1 0 227.298 3.614 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000620133068 369742640 /nfs/dbraw/zinc/74/26/40/369742640.db2.gz SPCXNWIFADHEJF-SNVBAGLBSA-N 1 0 227.298 3.614 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000620139793 369745725 /nfs/dbraw/zinc/74/57/25/369745725.db2.gz BZMJYEIWLOCNSY-CQSZACIVSA-N 1 0 237.774 3.960 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000620141394 369745792 /nfs/dbraw/zinc/74/57/92/369745792.db2.gz TTZNRBFLMPXWLQ-OAHLLOKOSA-N 1 0 217.356 3.850 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccccc2C)s1 ZINC000620235073 369779095 /nfs/dbraw/zinc/77/90/95/369779095.db2.gz WNGCTTRTBUCXLX-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2)s1 ZINC000620235652 369779173 /nfs/dbraw/zinc/77/91/73/369779173.db2.gz LHMMXDNZNXYUDP-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccccc2)c(C)c1 ZINC000620369354 538782689 /nfs/dbraw/zinc/78/26/89/538782689.db2.gz KVSWLSNDRXVADO-UHFFFAOYSA-N 1 0 239.362 3.636 20 0 BHADRO CCCc1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000620436476 369876687 /nfs/dbraw/zinc/87/66/87/369876687.db2.gz RWRHPJNPQFNBRI-UHFFFAOYSA-N 1 0 243.350 3.564 20 0 BHADRO Cc1ccc(C)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000620438735 369877290 /nfs/dbraw/zinc/87/72/90/369877290.db2.gz HICFXRIOGCBEEM-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1C ZINC000620438752 369877636 /nfs/dbraw/zinc/87/76/36/369877636.db2.gz KWAYHFYLZQTSFJ-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1C ZINC000620438761 369877327 /nfs/dbraw/zinc/87/73/27/369877327.db2.gz NCSXYOLLJNWOIG-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000620442980 369879612 /nfs/dbraw/zinc/87/96/12/369879612.db2.gz SBWUXNFPLZABAG-GXTWGEPZSA-N 1 0 241.334 3.692 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000620442981 369879322 /nfs/dbraw/zinc/87/93/22/369879322.db2.gz SBWUXNFPLZABAG-JSGCOSHPSA-N 1 0 241.334 3.692 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000620442982 369879753 /nfs/dbraw/zinc/87/97/53/369879753.db2.gz SBWUXNFPLZABAG-OCCSQVGLSA-N 1 0 241.334 3.692 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000620442983 369879770 /nfs/dbraw/zinc/87/97/70/369879770.db2.gz SBWUXNFPLZABAG-TZMCWYRMSA-N 1 0 241.334 3.692 20 0 BHADRO CCCc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000620514331 369903306 /nfs/dbraw/zinc/90/33/06/369903306.db2.gz NOCSHDIGXUCLPR-UHFFFAOYSA-N 1 0 243.394 3.917 20 0 BHADRO Cc1cccc(SCC[NH+]2CCCCC2)c1 ZINC000620681047 344459295 /nfs/dbraw/zinc/45/92/95/344459295.db2.gz QKAVYDMXEUNTRL-UHFFFAOYSA-N 1 0 235.396 3.573 20 0 BHADRO CCCCOCC[NH2+]Cc1ccc(CCC)cc1 ZINC000620761917 369994584 /nfs/dbraw/zinc/99/45/84/369994584.db2.gz FTMBMIGGVHXYNO-UHFFFAOYSA-N 1 0 249.398 3.545 20 0 BHADRO CCC(CC)[N@H+](Cc1ccccc1F)C1CC1 ZINC000620803435 388650975 /nfs/dbraw/zinc/65/09/75/388650975.db2.gz GYNHDKKHPZNCGS-UHFFFAOYSA-N 1 0 235.346 3.979 20 0 BHADRO CC[N@H+](CCOc1ccccc1C)[C@@H](C)C(C)C ZINC000620807863 345794191 /nfs/dbraw/zinc/79/41/91/345794191.db2.gz SYZZSRDIAJZKAP-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO CC[N@H+](CCOc1ccccc1C)[C@H](C)C(C)C ZINC000620807864 345793810 /nfs/dbraw/zinc/79/38/10/345793810.db2.gz SYZZSRDIAJZKAP-OAHLLOKOSA-N 1 0 249.398 3.740 20 0 BHADRO CC[N@H+](CCCc1ccccc1)[C@H](C)C(C)C ZINC000620807866 370001065 /nfs/dbraw/zinc/00/10/65/370001065.db2.gz WMQBVBOJPIFVFN-OAHLLOKOSA-N 1 0 233.399 3.986 20 0 BHADRO CC[C@H](C[NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000620879475 370033348 /nfs/dbraw/zinc/03/33/48/370033348.db2.gz OTXBTHDVQBPOAY-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc(CCC[NH2+]Cc2ccco2)c(C)c1 ZINC000620879516 370032958 /nfs/dbraw/zinc/03/29/58/370032958.db2.gz HZFNLVKXAYVONB-UHFFFAOYSA-N 1 0 243.350 3.619 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000620934738 370063660 /nfs/dbraw/zinc/06/36/60/370063660.db2.gz PCFFCFXFTRETBZ-HNNXBMFYSA-N 1 0 233.355 3.575 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000620934739 370063682 /nfs/dbraw/zinc/06/36/82/370063682.db2.gz PCFFCFXFTRETBZ-OAHLLOKOSA-N 1 0 233.355 3.575 20 0 BHADRO CCCCC[N@H+](Cc1ccnc(C)c1)C(C)C ZINC000621246629 370181805 /nfs/dbraw/zinc/18/18/05/370181805.db2.gz LSFMOKUNLVRBFJ-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO C[C@H]([N@H+](C)Cc1cncc(Cl)c1)C(C)(C)C ZINC000621246730 370181917 /nfs/dbraw/zinc/18/19/17/370181917.db2.gz PYTAOYVQWRCMPH-JTQLQIEISA-N 1 0 240.778 3.601 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cncc(Cl)c1)C(C)(C)C ZINC000621246731 370181510 /nfs/dbraw/zinc/18/15/10/370181510.db2.gz PYTAOYVQWRCMPH-SNVBAGLBSA-N 1 0 240.778 3.601 20 0 BHADRO Cc1cc(C[N@H+](C2CC2)C2CCCCC2)ccn1 ZINC000621247040 370181956 /nfs/dbraw/zinc/18/19/56/370181956.db2.gz DGRJVJDGWQQFKL-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO CC(C)C[N@H+](Cc1cncc(Cl)c1)C(C)C ZINC000621247241 350027116 /nfs/dbraw/zinc/02/71/16/350027116.db2.gz MHVMODMASHJHNW-UHFFFAOYSA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1cncc(Cl)c1)[C@H](C)C(C)C ZINC000621251427 370185155 /nfs/dbraw/zinc/18/51/55/370185155.db2.gz UHGGOTPZBJDPAT-LLVKDONJSA-N 1 0 240.778 3.601 20 0 BHADRO CC[N@H+](Cc1cncc(Cl)c1)[C@@H](C)C(C)C ZINC000621251428 370185530 /nfs/dbraw/zinc/18/55/30/370185530.db2.gz UHGGOTPZBJDPAT-NSHDSACASA-N 1 0 240.778 3.601 20 0 BHADRO CCC[N@@H+](Cc1cncc(Cl)c1)CC(C)C ZINC000621251742 370184928 /nfs/dbraw/zinc/18/49/28/370184928.db2.gz GNGDNSYSMLUCIW-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO Cc1cc(C[N@@H+](C(C)C)C2CCCC2)ccn1 ZINC000621265699 370198012 /nfs/dbraw/zinc/19/80/12/370198012.db2.gz NDECHLQSOSSXLP-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cncc(Cl)c1 ZINC000621266848 370198290 /nfs/dbraw/zinc/19/82/90/370198290.db2.gz CAVFRRUBHCUGSU-UHFFFAOYSA-N 1 0 240.778 3.793 20 0 BHADRO CC(C)C([NH2+]Cc1cncc(Cl)c1)C(C)C ZINC000621275057 370206529 /nfs/dbraw/zinc/20/65/29/370206529.db2.gz ICSFVHPOIMILAI-UHFFFAOYSA-N 1 0 240.778 3.505 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CCOC(C)(C)C ZINC000621277064 370207759 /nfs/dbraw/zinc/20/77/59/370207759.db2.gz QKQJVYDOQAIENG-HNNXBMFYSA-N 1 0 249.398 3.885 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CCOC(C)(C)C ZINC000621277065 370207843 /nfs/dbraw/zinc/20/78/43/370207843.db2.gz QKQJVYDOQAIENG-OAHLLOKOSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccnc(C)c1)C1CCC1 ZINC000621277657 350366978 /nfs/dbraw/zinc/36/69/78/350366978.db2.gz RPRLMSQTAVFUJN-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccnc(C)c1)C1CCC1 ZINC000621277658 350366449 /nfs/dbraw/zinc/36/64/49/350366449.db2.gz RPRLMSQTAVFUJN-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO COc1cccc([C@@H](C)[N@H+](C)CCC(C)C)c1 ZINC000621279634 370210661 /nfs/dbraw/zinc/21/06/61/370210661.db2.gz AHNDONFMDQLZRE-CYBMUJFWSA-N 1 0 235.371 3.734 20 0 BHADRO COc1cccc([C@H](C)[N@H+](C)CCC(C)C)c1 ZINC000621279635 370210954 /nfs/dbraw/zinc/21/09/54/370210954.db2.gz AHNDONFMDQLZRE-ZDUSSCGKSA-N 1 0 235.371 3.734 20 0 BHADRO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(C)C)c1 ZINC000621280637 370211997 /nfs/dbraw/zinc/21/19/97/370211997.db2.gz QFSRBVQBFTWHQD-AWEZNQCLSA-N 1 0 219.372 3.952 20 0 BHADRO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(C)C)c1 ZINC000621280638 370211747 /nfs/dbraw/zinc/21/17/47/370211747.db2.gz QFSRBVQBFTWHQD-CQSZACIVSA-N 1 0 219.372 3.952 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000621281469 370212812 /nfs/dbraw/zinc/21/28/12/370212812.db2.gz QLZGHYIITFTOMZ-CYBMUJFWSA-N 1 0 205.345 3.706 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000621281470 370213259 /nfs/dbraw/zinc/21/32/59/370213259.db2.gz QLZGHYIITFTOMZ-ZDUSSCGKSA-N 1 0 205.345 3.706 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)C1CCCC1 ZINC000621292517 370219679 /nfs/dbraw/zinc/21/96/79/370219679.db2.gz FKMUGXBMXNQWRA-UHFFFAOYSA-N 1 0 247.382 3.850 20 0 BHADRO CCC[N@H+](Cc1ccccc1F)C1CCCC1 ZINC000621292519 370218762 /nfs/dbraw/zinc/21/87/62/370218762.db2.gz FNPMGRKKFXLBDJ-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CCC[N@H+](CC=C(C)C)Cc1ccc(OC)cc1 ZINC000621292773 370218710 /nfs/dbraw/zinc/21/87/10/370218710.db2.gz RYDVFTAHISJCIL-UHFFFAOYSA-N 1 0 247.382 3.873 20 0 BHADRO CCC[N@H+](CCC(C)C)Cc1ccc(OC)cc1 ZINC000621292781 370219281 /nfs/dbraw/zinc/21/92/81/370219281.db2.gz SIAVWEMQPKMDMH-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CCC[N@H+](Cc1ccc(F)cc1)C1CCCC1 ZINC000621292827 370219292 /nfs/dbraw/zinc/21/92/92/370219292.db2.gz VEOOOMUSMPOZAH-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cncc(Cl)c1 ZINC000621295970 370223889 /nfs/dbraw/zinc/22/38/89/370223889.db2.gz BEGFFZBTRFZPOY-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CCC1([NH2+]Cc2cncc(Cl)c2)CCCC1 ZINC000621298905 350759914 /nfs/dbraw/zinc/75/99/14/350759914.db2.gz NSRGMVSMDASDMO-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCc1ccc(C[N@H+](CC)CC(C)C)cc1 ZINC000621299287 370228014 /nfs/dbraw/zinc/22/80/14/370228014.db2.gz KZXMZZUQABGADR-UHFFFAOYSA-N 1 0 219.372 3.727 20 0 BHADRO CCCC[N@H+](CCCOC)[C@@H](C)c1ccccc1 ZINC000621301610 370231470 /nfs/dbraw/zinc/23/14/70/370231470.db2.gz ZHPJZZGKIQMTEV-HNNXBMFYSA-N 1 0 249.398 3.886 20 0 BHADRO CCCC[N@H+](CCCOC)[C@H](C)c1ccccc1 ZINC000621301611 370231641 /nfs/dbraw/zinc/23/16/41/370231641.db2.gz ZHPJZZGKIQMTEV-OAHLLOKOSA-N 1 0 249.398 3.886 20 0 BHADRO CCCC[N@H+](C[C@@H]1CCCO1)C1CCCCC1 ZINC000621302303 370231903 /nfs/dbraw/zinc/23/19/03/370231903.db2.gz PYLFZTRAFPPREB-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccc(F)cc1F ZINC000621309324 342749730 /nfs/dbraw/zinc/74/97/30/342749730.db2.gz BZPNKFBPXLESKC-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1F ZINC000621309325 342749721 /nfs/dbraw/zinc/74/97/21/342749721.db2.gz BZPNKFBPXLESKC-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccc(F)c(F)c1 ZINC000621309348 370235092 /nfs/dbraw/zinc/23/50/92/370235092.db2.gz KTJYHSRQWFFFMN-JTQLQIEISA-N 1 0 227.298 3.585 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(F)c1 ZINC000621309349 370235179 /nfs/dbraw/zinc/23/51/79/370235179.db2.gz KTJYHSRQWFFFMN-SNVBAGLBSA-N 1 0 227.298 3.585 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CC ZINC000621309359 370235389 /nfs/dbraw/zinc/23/53/89/370235389.db2.gz NFQCLXHQWAVFFF-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CC ZINC000621309360 370234926 /nfs/dbraw/zinc/23/49/26/370234926.db2.gz NFQCLXHQWAVFFF-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CCC[N@H+](Cc1ccccc1F)[C@H](C)CC ZINC000621311074 370236146 /nfs/dbraw/zinc/23/61/46/370236146.db2.gz SYZWRYLOMWUBIX-GFCCVEGCSA-N 1 0 223.335 3.836 20 0 BHADRO CCC[N@H+](Cc1ccccc1F)[C@@H](C)CC ZINC000621311075 370236142 /nfs/dbraw/zinc/23/61/42/370236142.db2.gz SYZWRYLOMWUBIX-LBPRGKRZSA-N 1 0 223.335 3.836 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@H]2C2CCC2)ccn1 ZINC000621312253 342768261 /nfs/dbraw/zinc/76/82/61/342768261.db2.gz OEXHSMYHNNUFGU-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@@H]2C2CCC2)ccn1 ZINC000621312254 342768201 /nfs/dbraw/zinc/76/82/01/342768201.db2.gz OEXHSMYHNNUFGU-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cncc(Cl)c1 ZINC000621314454 370239923 /nfs/dbraw/zinc/23/99/23/370239923.db2.gz WYLABQGQLXMAGO-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cncc(Cl)c1 ZINC000621314455 370239334 /nfs/dbraw/zinc/23/93/34/370239334.db2.gz WYLABQGQLXMAGO-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000621315653 370239454 /nfs/dbraw/zinc/23/94/54/370239454.db2.gz QASRQQDYILLWPD-AWEZNQCLSA-N 1 0 219.372 3.943 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@H](C)C(C)C ZINC000621315654 370239694 /nfs/dbraw/zinc/23/96/94/370239694.db2.gz QASRQQDYILLWPD-CQSZACIVSA-N 1 0 219.372 3.943 20 0 BHADRO CCC[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000621316536 370243742 /nfs/dbraw/zinc/24/37/42/370243742.db2.gz DYSVOFFGKWBFKO-UHFFFAOYSA-N 1 0 237.362 3.736 20 0 BHADRO CCCC[N@H+](CC)[C@H](C)c1ccc(C)o1 ZINC000621317489 370241781 /nfs/dbraw/zinc/24/17/81/370241781.db2.gz GMELZXARDMBGPH-GFCCVEGCSA-N 1 0 209.333 3.771 20 0 BHADRO CCCC[N@H+](CC)[C@@H](C)c1ccc(C)o1 ZINC000621317490 370242684 /nfs/dbraw/zinc/24/26/84/370242684.db2.gz GMELZXARDMBGPH-LBPRGKRZSA-N 1 0 209.333 3.771 20 0 BHADRO CCCC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000621317649 370244918 /nfs/dbraw/zinc/24/49/18/370244918.db2.gz PZJWGYWODMRIIF-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000621319391 370247103 /nfs/dbraw/zinc/24/71/03/370247103.db2.gz MXUVIVKDPHCFHU-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(C)C ZINC000621319392 370246350 /nfs/dbraw/zinc/24/63/50/370246350.db2.gz MXUVIVKDPHCFHU-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO CC[N@H+](CCc1cccs1)[C@@H](C)C(C)C ZINC000621320776 370248348 /nfs/dbraw/zinc/24/83/48/370248348.db2.gz IXNJJXPHGVSYOO-LBPRGKRZSA-N 1 0 225.401 3.657 20 0 BHADRO CCOCCC[N@H+](CCC(C)C)C1CCCC1 ZINC000621321828 370249751 /nfs/dbraw/zinc/24/97/51/370249751.db2.gz YBAAHMNOKOYNEL-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccnc(C)c1 ZINC000621322175 370250555 /nfs/dbraw/zinc/25/05/55/370250555.db2.gz MMBZMEHIMZBLBK-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000621322890 370250692 /nfs/dbraw/zinc/25/06/92/370250692.db2.gz LXFPKOBHPQBFAB-HOTGVXAUSA-N 1 0 244.382 3.545 20 0 BHADRO CCCc1ccc(C[NH2+]CCc2ccco2)s1 ZINC000621325677 370255355 /nfs/dbraw/zinc/25/53/55/370255355.db2.gz GJZCOBDQOHDVNL-UHFFFAOYSA-N 1 0 249.379 3.626 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccco2)s1 ZINC000621325763 370256009 /nfs/dbraw/zinc/25/60/09/370256009.db2.gz KBAPIQVFJYQHJT-UHFFFAOYSA-N 1 0 235.352 3.583 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)C2CC2)s1 ZINC000621326544 370256581 /nfs/dbraw/zinc/25/65/81/370256581.db2.gz LPYSWIUOCIMUPX-JTQLQIEISA-N 1 0 223.385 3.589 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)C2CC2)s1 ZINC000621326545 370256960 /nfs/dbraw/zinc/25/69/60/370256960.db2.gz LPYSWIUOCIMUPX-SNVBAGLBSA-N 1 0 223.385 3.589 20 0 BHADRO CCCc1ccc(C[NH2+]C(C)(C)C)s1 ZINC000621328109 370259652 /nfs/dbraw/zinc/25/96/52/370259652.db2.gz GXMQYTVKQGGDQD-UHFFFAOYSA-N 1 0 211.374 3.589 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccoc2)s1 ZINC000621330224 370263577 /nfs/dbraw/zinc/26/35/77/370263577.db2.gz COXRXCKIOKZLTC-UHFFFAOYSA-N 1 0 235.352 3.583 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2ccoc2C)s1 ZINC000621330512 370263772 /nfs/dbraw/zinc/26/37/72/370263772.db2.gz PTAFTDWWIXBYJK-UHFFFAOYSA-N 1 0 249.379 3.892 20 0 BHADRO CCCc1ccc(C[NH2+]C2(C3CC3)CC2)s1 ZINC000621340517 370273290 /nfs/dbraw/zinc/27/32/90/370273290.db2.gz HTUOIEZKORYYOV-UHFFFAOYSA-N 1 0 235.396 3.733 20 0 BHADRO CCCc1ccc(C[NH2+]C2CC=CC2)s1 ZINC000621340978 370273679 /nfs/dbraw/zinc/27/36/79/370273679.db2.gz XOLPPRHVXJEMBG-UHFFFAOYSA-N 1 0 221.369 3.509 20 0 BHADRO CCCc1ccc(C[NH2+]C2CC(F)(F)C2)s1 ZINC000621349218 370285187 /nfs/dbraw/zinc/28/51/87/370285187.db2.gz KULGPIAJAYIZTP-UHFFFAOYSA-N 1 0 245.338 3.588 20 0 BHADRO CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621352031 370284006 /nfs/dbraw/zinc/28/40/06/370284006.db2.gz KESHKGRCBOAZGS-UHFFFAOYSA-N 1 0 243.272 3.694 20 0 BHADRO CCCc1ccc(C[NH2+]Cc2occc2C)s1 ZINC000621356674 370291679 /nfs/dbraw/zinc/29/16/79/370291679.db2.gz UOQWYXXAKUMJIF-UHFFFAOYSA-N 1 0 249.379 3.892 20 0 BHADRO CCCc1ccc(C[NH2+]CCCCF)s1 ZINC000621356788 370291693 /nfs/dbraw/zinc/29/16/93/370291693.db2.gz XSTMPLRFHWETBN-UHFFFAOYSA-N 1 0 229.364 3.540 20 0 BHADRO CCCc1ccc(C[NH2+]CC[C@H](C)F)s1 ZINC000621357556 370293476 /nfs/dbraw/zinc/29/34/76/370293476.db2.gz RTKPDAQDXWEWAK-JTQLQIEISA-N 1 0 229.364 3.538 20 0 BHADRO CCCc1ccc(C[NH2+]CC[C@@H](C)F)s1 ZINC000621357557 370292585 /nfs/dbraw/zinc/29/25/85/370292585.db2.gz RTKPDAQDXWEWAK-SNVBAGLBSA-N 1 0 229.364 3.538 20 0 BHADRO CCCc1ccc(C[NH2+]CCC(C)(F)F)s1 ZINC000621358808 370293254 /nfs/dbraw/zinc/29/32/54/370293254.db2.gz VLZLCCOGQMEQAV-UHFFFAOYSA-N 1 0 247.354 3.836 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000621365516 370300976 /nfs/dbraw/zinc/30/09/76/370300976.db2.gz XJKWETZGDTYLII-ZSBIGDGJSA-N 1 0 235.396 3.589 20 0 BHADRO CCCc1ccc(C[NH2+][C@]23C[C@H]2CCC3)s1 ZINC000621368905 370304952 /nfs/dbraw/zinc/30/49/52/370304952.db2.gz AVABCUHNDJKTOB-BXUZGUMPSA-N 1 0 235.396 3.733 20 0 BHADRO CCCc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)s1 ZINC000621368906 370305074 /nfs/dbraw/zinc/30/50/74/370305074.db2.gz AVABCUHNDJKTOB-FZMZJTMJSA-N 1 0 235.396 3.733 20 0 BHADRO CCCc1ccc(C[NH2+]CCc2ccoc2)s1 ZINC000621370603 370306112 /nfs/dbraw/zinc/30/61/12/370306112.db2.gz MYTDKVGIGOVKMG-UHFFFAOYSA-N 1 0 249.379 3.626 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621376238 370317804 /nfs/dbraw/zinc/31/78/04/370317804.db2.gz VWJMUNBUHPYLKD-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621376239 370317433 /nfs/dbraw/zinc/31/74/33/370317433.db2.gz VWJMUNBUHPYLKD-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621376240 370317405 /nfs/dbraw/zinc/31/74/05/370317405.db2.gz VWJMUNBUHPYLKD-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621376241 370317468 /nfs/dbraw/zinc/31/74/68/370317468.db2.gz VWJMUNBUHPYLKD-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621376493 343379839 /nfs/dbraw/zinc/37/98/39/343379839.db2.gz CEDPAICCKDYXGZ-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621376494 537884110 /nfs/dbraw/zinc/88/41/10/537884110.db2.gz CEDPAICCKDYXGZ-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621376495 537884273 /nfs/dbraw/zinc/88/42/73/537884273.db2.gz CEDPAICCKDYXGZ-JHJVBQTASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621376496 537884296 /nfs/dbraw/zinc/88/42/96/537884296.db2.gz CEDPAICCKDYXGZ-UPJWGTAASA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1F ZINC000621376773 370318420 /nfs/dbraw/zinc/31/84/20/370318420.db2.gz JPNXCXZUOXBNBU-NXEZZACHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1F ZINC000621376774 370318531 /nfs/dbraw/zinc/31/85/31/370318531.db2.gz JPNXCXZUOXBNBU-UWVGGRQHSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1F ZINC000621376775 370319215 /nfs/dbraw/zinc/31/92/15/370319215.db2.gz JPNXCXZUOXBNBU-VHSXEESVSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1F ZINC000621376776 370318593 /nfs/dbraw/zinc/31/85/93/370318593.db2.gz JPNXCXZUOXBNBU-ZJUUUORDSA-N 1 0 243.272 3.522 20 0 BHADRO CC(C)C(C[NH2+]CC[C@@H]1CC1(F)F)C(C)C ZINC000621376840 343380262 /nfs/dbraw/zinc/38/02/62/343380262.db2.gz KSWGJTFFPSLPSA-LLVKDONJSA-N 1 0 233.346 3.550 20 0 BHADRO CC(C)C(C[NH2+]CC[C@H]1CC1(F)F)C(C)C ZINC000621376841 343380291 /nfs/dbraw/zinc/38/02/91/343380291.db2.gz KSWGJTFFPSLPSA-NSHDSACASA-N 1 0 233.346 3.550 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[C@H]1CC1(F)F ZINC000621377019 370319027 /nfs/dbraw/zinc/31/90/27/370319027.db2.gz OFEJTUBOALFYJP-AVGNSLFASA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[C@H]1CC1(F)F ZINC000621377020 370319065 /nfs/dbraw/zinc/31/90/65/370319065.db2.gz OFEJTUBOALFYJP-RWMBFGLXSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377021 370318558 /nfs/dbraw/zinc/31/85/58/370318558.db2.gz OFEJTUBOALFYJP-XQQFMLRXSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377022 370318589 /nfs/dbraw/zinc/31/85/89/370318589.db2.gz OFEJTUBOALFYJP-YNEHKIRRSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377265 343380761 /nfs/dbraw/zinc/38/07/61/343380761.db2.gz UAMOUDQMJDMVKL-CYZMBNFOSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377266 343380821 /nfs/dbraw/zinc/38/08/21/343380821.db2.gz UAMOUDQMJDMVKL-DRZSPHRISA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377267 343380807 /nfs/dbraw/zinc/38/08/07/343380807.db2.gz UAMOUDQMJDMVKL-UHTWSYAYSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377268 343380804 /nfs/dbraw/zinc/38/08/04/343380804.db2.gz UAMOUDQMJDMVKL-WCFLWFBJSA-N 1 0 243.341 3.614 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377689 370320423 /nfs/dbraw/zinc/32/04/23/370320423.db2.gz DRXVTGXQUHUCJC-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377690 370311503 /nfs/dbraw/zinc/31/15/03/370311503.db2.gz DRXVTGXQUHUCJC-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377691 370313578 /nfs/dbraw/zinc/31/35/78/370313578.db2.gz DRXVTGXQUHUCJC-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377692 370314392 /nfs/dbraw/zinc/31/43/92/370314392.db2.gz DRXVTGXQUHUCJC-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621377823 370319958 /nfs/dbraw/zinc/31/99/58/370319958.db2.gz HIFAEKKOVHSPQT-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621377824 370320181 /nfs/dbraw/zinc/32/01/81/370320181.db2.gz HIFAEKKOVHSPQT-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)C1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621378078 343385947 /nfs/dbraw/zinc/38/59/47/343385947.db2.gz MWYQVVKFANYVFN-CPCZMJQVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621378079 343386123 /nfs/dbraw/zinc/38/61/23/343386123.db2.gz MWYQVVKFANYVFN-OTTFEQOBSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621378341 370321139 /nfs/dbraw/zinc/32/11/39/370321139.db2.gz USWZOLZECWEWAQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621378342 370316147 /nfs/dbraw/zinc/31/61/47/370316147.db2.gz USWZOLZECWEWAQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621378343 370316229 /nfs/dbraw/zinc/31/62/29/370316229.db2.gz USWZOLZECWEWAQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621378344 370316052 /nfs/dbraw/zinc/31/60/52/370316052.db2.gz USWZOLZECWEWAQ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC000621378359 370321954 /nfs/dbraw/zinc/32/19/54/370321954.db2.gz VDKDWRXKHCWCBR-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC000621378360 370321529 /nfs/dbraw/zinc/32/15/29/370321529.db2.gz VDKDWRXKHCWCBR-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO CCC1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621378677 370321277 /nfs/dbraw/zinc/32/12/77/370321277.db2.gz BHYXFJIAQPEJPN-CXQJBGSLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621378678 370321595 /nfs/dbraw/zinc/32/15/95/370321595.db2.gz BHYXFJIAQPEJPN-MOENNCHZSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621379543 370323210 /nfs/dbraw/zinc/32/32/10/370323210.db2.gz XYHJBDNFHZHRLN-CPCZMJQVSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621379544 370323132 /nfs/dbraw/zinc/32/31/32/370323132.db2.gz XYHJBDNFHZHRLN-OTTFEQOBSA-N 1 0 245.357 3.980 20 0 BHADRO CC1CC(C[NH2+]Cc2cscc2Cl)C1 ZINC000621383419 370327344 /nfs/dbraw/zinc/32/73/44/370327344.db2.gz GHIBUEBFFHFPPL-UHFFFAOYSA-N 1 0 229.776 3.537 20 0 BHADRO CC1CC(C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000621383754 370327137 /nfs/dbraw/zinc/32/71/37/370327137.db2.gz RROYZMKSDTVLJN-UHFFFAOYSA-N 1 0 229.776 3.537 20 0 BHADRO CC1CC(C[NH2+]Cc2sccc2Cl)C1 ZINC000621384339 370328183 /nfs/dbraw/zinc/32/81/83/370328183.db2.gz CEPASUPREYPSMG-UHFFFAOYSA-N 1 0 229.776 3.537 20 0 BHADRO CSc1ccc(C[NH2+]CC2CC(C)C2)s1 ZINC000621384474 370328337 /nfs/dbraw/zinc/32/83/37/370328337.db2.gz IJDLXJMXCFBZDJ-UHFFFAOYSA-N 1 0 241.425 3.606 20 0 BHADRO CC1CC(C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000621384662 370328443 /nfs/dbraw/zinc/32/84/43/370328443.db2.gz OPRNNMDCRKHQPL-UHFFFAOYSA-N 1 0 239.309 3.760 20 0 BHADRO CC1CC(C[NH2+]Cc2ccsc2Cl)C1 ZINC000621384725 370329451 /nfs/dbraw/zinc/32/94/51/370329451.db2.gz QSCWTLXUZRNHDF-UHFFFAOYSA-N 1 0 229.776 3.537 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621398227 370335499 /nfs/dbraw/zinc/33/54/99/370335499.db2.gz VOCRVOUEBRAYFI-OLZOCXBDSA-N 1 0 238.334 3.719 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621398228 370336254 /nfs/dbraw/zinc/33/62/54/370336254.db2.gz VOCRVOUEBRAYFI-STQMWFEESA-N 1 0 238.334 3.719 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CCCOC(C)(C)C ZINC000621398790 370336060 /nfs/dbraw/zinc/33/60/60/370336060.db2.gz REZGTUUUNSAWDJ-ZDUSSCGKSA-N 1 0 247.382 3.768 20 0 BHADRO FCCCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621400447 370338934 /nfs/dbraw/zinc/33/89/34/370338934.db2.gz HZDFUPYKOMIAGP-LLVKDONJSA-N 1 0 237.309 3.540 20 0 BHADRO FCCCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621400448 370338613 /nfs/dbraw/zinc/33/86/13/370338613.db2.gz HZDFUPYKOMIAGP-NSHDSACASA-N 1 0 237.309 3.540 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000621400611 370338585 /nfs/dbraw/zinc/33/85/85/370338585.db2.gz MMGRROSJECLIDK-VIRABCJISA-N 1 0 227.351 3.609 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CC1=CCCC1 ZINC000621400668 370338691 /nfs/dbraw/zinc/33/86/91/370338691.db2.gz OKJNTPUSFMABAX-LBPRGKRZSA-N 1 0 213.324 3.674 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CC1CC=CC1 ZINC000621400757 343458760 /nfs/dbraw/zinc/45/87/60/343458760.db2.gz QPYJMAGWHHMESN-LBPRGKRZSA-N 1 0 213.324 3.529 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401466 370338841 /nfs/dbraw/zinc/33/88/41/370338841.db2.gz AAOJQQMXFWKUHW-GXSJLCMTSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401467 370338825 /nfs/dbraw/zinc/33/88/25/370338825.db2.gz AAOJQQMXFWKUHW-KOLCDFICSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401468 370338679 /nfs/dbraw/zinc/33/86/79/370338679.db2.gz AAOJQQMXFWKUHW-MWLCHTKSSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401469 370338981 /nfs/dbraw/zinc/33/89/81/370338981.db2.gz AAOJQQMXFWKUHW-ONGXEEELSA-N 1 0 219.319 3.589 20 0 BHADRO FC(F)[C@H]([NH2+]CCC1CC1)C1CCCCC1 ZINC000621401852 370340418 /nfs/dbraw/zinc/34/04/18/370340418.db2.gz LRNVTUZNAMUXBV-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO FC(F)[C@@H]([NH2+]CCC1CC1)C1CCCCC1 ZINC000621401853 370339932 /nfs/dbraw/zinc/33/99/32/370339932.db2.gz LRNVTUZNAMUXBV-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO FC(F)[C@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000621401858 370340642 /nfs/dbraw/zinc/34/06/42/370340642.db2.gz LVJBNBIUQSLPNS-GFCCVEGCSA-N 1 0 231.330 3.733 20 0 BHADRO FC(F)[C@@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000621401859 370340573 /nfs/dbraw/zinc/34/05/73/370340573.db2.gz LVJBNBIUQSLPNS-LBPRGKRZSA-N 1 0 231.330 3.733 20 0 BHADRO CCCc1ccc(C[N@H+](C)Cc2ccc[nH]2)s1 ZINC000621719259 370469370 /nfs/dbraw/zinc/46/93/70/370469370.db2.gz GSHCVVNDDRKPNB-UHFFFAOYSA-N 1 0 248.395 3.661 20 0 BHADRO CCCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000621731075 370484190 /nfs/dbraw/zinc/48/41/90/370484190.db2.gz WOPPJNLFYVOHOD-UHFFFAOYSA-N 1 0 223.335 3.836 20 0 BHADRO CCCC[N@H+](Cc1ccccc1F)C(C)C ZINC000621731786 370485219 /nfs/dbraw/zinc/48/52/19/370485219.db2.gz ORHWJIBNCRQMDI-UHFFFAOYSA-N 1 0 223.335 3.836 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000621733123 370488361 /nfs/dbraw/zinc/48/83/61/370488361.db2.gz BZMFXBJTXFWNES-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000621733124 370488899 /nfs/dbraw/zinc/48/88/99/370488899.db2.gz BZMFXBJTXFWNES-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000621733125 370488744 /nfs/dbraw/zinc/48/87/44/370488744.db2.gz BZMFXBJTXFWNES-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000621733126 370488387 /nfs/dbraw/zinc/48/83/87/370488387.db2.gz BZMFXBJTXFWNES-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733265 370483484 /nfs/dbraw/zinc/48/34/84/370483484.db2.gz GTWQIONMJVSBOQ-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733266 370483323 /nfs/dbraw/zinc/48/33/23/370483323.db2.gz GTWQIONMJVSBOQ-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733267 370483470 /nfs/dbraw/zinc/48/34/70/370483470.db2.gz GTWQIONMJVSBOQ-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733268 370483479 /nfs/dbraw/zinc/48/34/79/370483479.db2.gz GTWQIONMJVSBOQ-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCC1 ZINC000621733269 370483038 /nfs/dbraw/zinc/48/30/38/370483038.db2.gz GTZMJCLHGMPLOZ-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCC1 ZINC000621733270 370483416 /nfs/dbraw/zinc/48/34/16/370483416.db2.gz GTZMJCLHGMPLOZ-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCC1 ZINC000621733271 370483555 /nfs/dbraw/zinc/48/35/55/370483555.db2.gz GTZMJCLHGMPLOZ-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCC1 ZINC000621733272 370483118 /nfs/dbraw/zinc/48/31/18/370483118.db2.gz GTZMJCLHGMPLOZ-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733321 370488404 /nfs/dbraw/zinc/48/84/04/370488404.db2.gz ILIKDLKSJWSIAL-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733322 370488642 /nfs/dbraw/zinc/48/86/42/370488642.db2.gz ILIKDLKSJWSIAL-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733323 370488268 /nfs/dbraw/zinc/48/82/68/370488268.db2.gz ILIKDLKSJWSIAL-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733324 370488654 /nfs/dbraw/zinc/48/86/54/370488654.db2.gz ILIKDLKSJWSIAL-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCC1 ZINC000621733436 370486192 /nfs/dbraw/zinc/48/61/92/370486192.db2.gz MBWCHBQVMZYHGP-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCC1 ZINC000621733437 370486275 /nfs/dbraw/zinc/48/62/75/370486275.db2.gz MBWCHBQVMZYHGP-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCC1 ZINC000621733438 370485803 /nfs/dbraw/zinc/48/58/03/370485803.db2.gz MBWCHBQVMZYHGP-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCC1 ZINC000621733439 370486226 /nfs/dbraw/zinc/48/62/26/370486226.db2.gz MBWCHBQVMZYHGP-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733456 370488800 /nfs/dbraw/zinc/48/88/00/370488800.db2.gz MLRWGQBSTFWJLZ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733457 370488571 /nfs/dbraw/zinc/48/85/71/370488571.db2.gz MLRWGQBSTFWJLZ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733458 370488589 /nfs/dbraw/zinc/48/85/89/370488589.db2.gz MLRWGQBSTFWJLZ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733459 370488697 /nfs/dbraw/zinc/48/86/97/370488697.db2.gz MLRWGQBSTFWJLZ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000621733531 370488674 /nfs/dbraw/zinc/48/86/74/370488674.db2.gz PDHYKSFTBXRRGR-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000621733532 370488456 /nfs/dbraw/zinc/48/84/56/370488456.db2.gz PDHYKSFTBXRRGR-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCCCC1 ZINC000621733612 370489868 /nfs/dbraw/zinc/48/98/68/370489868.db2.gz RTPLFGGYUVJJAL-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCCCC1 ZINC000621733613 370489640 /nfs/dbraw/zinc/48/96/40/370489640.db2.gz RTPLFGGYUVJJAL-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCCCC1 ZINC000621733614 370489370 /nfs/dbraw/zinc/48/93/70/370489370.db2.gz RTPLFGGYUVJJAL-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCCCC1 ZINC000621733615 370483521 /nfs/dbraw/zinc/48/35/21/370483521.db2.gz RTPLFGGYUVJJAL-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733623 370490052 /nfs/dbraw/zinc/49/00/52/370490052.db2.gz SBKGHFLFVKTPHQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733624 370489743 /nfs/dbraw/zinc/48/97/43/370489743.db2.gz SBKGHFLFVKTPHQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733625 370489525 /nfs/dbraw/zinc/48/95/25/370489525.db2.gz SBKGHFLFVKTPHQ-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733626 370489907 /nfs/dbraw/zinc/48/99/07/370489907.db2.gz SBKGHFLFVKTPHQ-SDDRHHMPSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000621733813 343883803 /nfs/dbraw/zinc/88/38/03/343883803.db2.gz YFHQYIRXEYVGRL-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000621733814 343883908 /nfs/dbraw/zinc/88/39/08/343883908.db2.gz YFHQYIRXEYVGRL-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000621733815 343883886 /nfs/dbraw/zinc/88/38/86/343883886.db2.gz YFHQYIRXEYVGRL-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000621733816 343883866 /nfs/dbraw/zinc/88/38/66/343883866.db2.gz YFHQYIRXEYVGRL-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCCC1 ZINC000621733882 370490035 /nfs/dbraw/zinc/49/00/35/370490035.db2.gz ADPSJCRVMUSQFQ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCCC1 ZINC000621733883 370489697 /nfs/dbraw/zinc/48/96/97/370489697.db2.gz ADPSJCRVMUSQFQ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CCCCC1 ZINC000621733884 370489356 /nfs/dbraw/zinc/48/93/56/370489356.db2.gz ADPSJCRVMUSQFQ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCCCC1 ZINC000621733885 370489603 /nfs/dbraw/zinc/48/96/03/370489603.db2.gz ADPSJCRVMUSQFQ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733929 370489857 /nfs/dbraw/zinc/48/98/57/370489857.db2.gz BBRMZKIIVPMWDC-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621733930 370489480 /nfs/dbraw/zinc/48/94/80/370489480.db2.gz BBRMZKIIVPMWDC-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733931 370489929 /nfs/dbraw/zinc/48/99/29/370489929.db2.gz BBRMZKIIVPMWDC-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621733932 370489650 /nfs/dbraw/zinc/48/96/50/370489650.db2.gz BBRMZKIIVPMWDC-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000621733967 370485212 /nfs/dbraw/zinc/48/52/12/370485212.db2.gz BXAZSKMNJVEGHW-AVGNSLFASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000621733968 370485139 /nfs/dbraw/zinc/48/51/39/370485139.db2.gz BXAZSKMNJVEGHW-RWMBFGLXSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000621733969 370486312 /nfs/dbraw/zinc/48/63/12/370486312.db2.gz BXAZSKMNJVEGHW-XQQFMLRXSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000621733970 370486331 /nfs/dbraw/zinc/48/63/31/370486331.db2.gz BXAZSKMNJVEGHW-YNEHKIRRSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(c2ccccc2)C[NH+](Cc2cccs2)C1 ZINC000621733975 370485195 /nfs/dbraw/zinc/48/51/95/370485195.db2.gz CAGKBZODXIJMEE-UHFFFAOYSA-N 1 0 243.375 3.522 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621734056 370490819 /nfs/dbraw/zinc/49/08/19/370490819.db2.gz DMBIPDJZDLXUOU-NEPJUHHUSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734057 370490753 /nfs/dbraw/zinc/49/07/53/370490753.db2.gz DMBIPDJZDLXUOU-NWDGAFQWSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621734058 370491097 /nfs/dbraw/zinc/49/10/97/370491097.db2.gz DMBIPDJZDLXUOU-RYUDHWBXSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734059 370490730 /nfs/dbraw/zinc/49/07/30/370490730.db2.gz DMBIPDJZDLXUOU-VXGBXAGGSA-N 1 0 231.330 3.756 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@@H]1CC1(F)F ZINC000621734100 370483425 /nfs/dbraw/zinc/48/34/25/370483425.db2.gz FOCDIJIHPNPPRQ-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@H]1CC1(F)F ZINC000621734101 370483234 /nfs/dbraw/zinc/48/32/34/370483234.db2.gz FOCDIJIHPNPPRQ-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734136 370490571 /nfs/dbraw/zinc/49/05/71/370490571.db2.gz GFGSLARQMSURDD-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734137 370490610 /nfs/dbraw/zinc/49/06/10/370490610.db2.gz GFGSLARQMSURDD-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734138 370490827 /nfs/dbraw/zinc/49/08/27/370490827.db2.gz GFGSLARQMSURDD-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734139 370491045 /nfs/dbraw/zinc/49/10/45/370491045.db2.gz GFGSLARQMSURDD-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734160 370490581 /nfs/dbraw/zinc/49/05/81/370490581.db2.gz GWIRXXIWTLGCKX-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734161 370490771 /nfs/dbraw/zinc/49/07/71/370490771.db2.gz GWIRXXIWTLGCKX-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1(C)CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621734196 370490491 /nfs/dbraw/zinc/49/04/91/370490491.db2.gz HRAMEXXTSGRUKN-HIFPTAJRSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1(C)CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621734197 370490576 /nfs/dbraw/zinc/49/05/76/370490576.db2.gz HRAMEXXTSGRUKN-PNESKVBLSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC[C@H]1CC1(F)F ZINC000621734207 370490658 /nfs/dbraw/zinc/49/06/58/370490658.db2.gz HVFKXNVUDZNGDD-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734208 370490961 /nfs/dbraw/zinc/49/09/61/370490961.db2.gz HVFKXNVUDZNGDD-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734209 370490644 /nfs/dbraw/zinc/49/06/44/370490644.db2.gz HVFKXNVUDZNGDD-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CC[C@H]1CC1(F)F ZINC000621734210 370490519 /nfs/dbraw/zinc/49/05/19/370490519.db2.gz HVFKXNVUDZNGDD-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734238 370483319 /nfs/dbraw/zinc/48/33/19/370483319.db2.gz ITBACMUYFSYFOE-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734239 370483443 /nfs/dbraw/zinc/48/34/43/370483443.db2.gz ITBACMUYFSYFOE-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734240 370483530 /nfs/dbraw/zinc/48/35/30/370483530.db2.gz ITBACMUYFSYFOE-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734241 370483192 /nfs/dbraw/zinc/48/31/92/370483192.db2.gz ITBACMUYFSYFOE-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734332 370490513 /nfs/dbraw/zinc/49/05/13/370490513.db2.gz KSGPMCLSJVDWNB-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC[C@H]1CC1(F)F ZINC000621734333 370487664 /nfs/dbraw/zinc/48/76/64/370487664.db2.gz KSGPMCLSJVDWNB-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC[C@H]1CC1(F)F ZINC000621734334 370487713 /nfs/dbraw/zinc/48/77/13/370487713.db2.gz KSGPMCLSJVDWNB-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734335 370487710 /nfs/dbraw/zinc/48/77/10/370487710.db2.gz KSGPMCLSJVDWNB-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734352 370487487 /nfs/dbraw/zinc/48/74/87/370487487.db2.gz LJECQMREIPTEIR-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734353 370487746 /nfs/dbraw/zinc/48/77/46/370487746.db2.gz LJECQMREIPTEIR-IJLUTSLNSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734354 370487591 /nfs/dbraw/zinc/48/75/91/370487591.db2.gz LJECQMREIPTEIR-UTUOFQBUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734355 370487394 /nfs/dbraw/zinc/48/73/94/370487394.db2.gz LJECQMREIPTEIR-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC000621734567 370491928 /nfs/dbraw/zinc/49/19/28/370491928.db2.gz PQMIDKBJACLCQA-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+]CCC1CCCCC1 ZINC000621734568 370491823 /nfs/dbraw/zinc/49/18/23/370491823.db2.gz PQMIDKBJACLCQA-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(c2ccccc2)C[NH+](Cc2ccsc2)C1 ZINC000621734590 343885515 /nfs/dbraw/zinc/88/55/15/343885515.db2.gz QDNARNZLADUJIV-UHFFFAOYSA-N 1 0 243.375 3.522 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621734679 370491807 /nfs/dbraw/zinc/49/18/07/370491807.db2.gz SUTYCAFXUFQLFP-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734680 370491764 /nfs/dbraw/zinc/49/17/64/370491764.db2.gz SUTYCAFXUFQLFP-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621734681 370491850 /nfs/dbraw/zinc/49/18/50/370491850.db2.gz SUTYCAFXUFQLFP-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734682 370491825 /nfs/dbraw/zinc/49/18/25/370491825.db2.gz SUTYCAFXUFQLFP-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734917 370489800 /nfs/dbraw/zinc/48/98/00/370489800.db2.gz ZPHFRXWNZOHHNO-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734918 370489988 /nfs/dbraw/zinc/48/99/88/370489988.db2.gz ZPHFRXWNZOHHNO-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734919 370489874 /nfs/dbraw/zinc/48/98/74/370489874.db2.gz ZPHFRXWNZOHHNO-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734920 370489807 /nfs/dbraw/zinc/48/98/07/370489807.db2.gz ZPHFRXWNZOHHNO-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000621734923 370491578 /nfs/dbraw/zinc/49/15/78/370491578.db2.gz ZSISUTRWDSGOBS-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000621734924 370491660 /nfs/dbraw/zinc/49/16/60/370491660.db2.gz ZSISUTRWDSGOBS-AVGNSLFASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000621734925 370492023 /nfs/dbraw/zinc/49/20/23/370492023.db2.gz ZSISUTRWDSGOBS-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000621734926 370491947 /nfs/dbraw/zinc/49/19/47/370491947.db2.gz ZSISUTRWDSGOBS-RWMBFGLXSA-N 1 0 243.341 3.590 20 0 BHADRO CCCC[N@H+](CCOCC)[C@@H](C)c1ccccc1 ZINC000621736251 370492855 /nfs/dbraw/zinc/49/28/55/370492855.db2.gz PCZXEEBXUJPWBG-HNNXBMFYSA-N 1 0 249.398 3.886 20 0 BHADRO CCCC[N@H+](CCOCC)[C@H](C)c1ccccc1 ZINC000621736252 370493375 /nfs/dbraw/zinc/49/33/75/370493375.db2.gz PCZXEEBXUJPWBG-OAHLLOKOSA-N 1 0 249.398 3.886 20 0 BHADRO CC1CC(C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000621738491 370494770 /nfs/dbraw/zinc/49/47/70/370494770.db2.gz HXEAENDPTKJJGO-SEEARECTSA-N 1 0 244.382 3.569 20 0 BHADRO CC1CC(C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000621738492 370494660 /nfs/dbraw/zinc/49/46/60/370494660.db2.gz HXEAENDPTKJJGO-ZUEPYMLJSA-N 1 0 244.382 3.569 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)C1)c1cc2cnccc2o1 ZINC000621738959 370496318 /nfs/dbraw/zinc/49/63/18/370496318.db2.gz YHTIWYNXMLZENG-CXQJBGSLSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)C1)c1cc2cnccc2o1 ZINC000621738960 370496291 /nfs/dbraw/zinc/49/62/91/370496291.db2.gz YHTIWYNXMLZENG-MOENNCHZSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)C1)C1CCC(F)(F)CC1 ZINC000621738985 370496277 /nfs/dbraw/zinc/49/62/77/370496277.db2.gz YUHNABHSBGVJSF-CXQJBGSLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)C1)C1CCC(F)(F)CC1 ZINC000621738986 370496369 /nfs/dbraw/zinc/49/63/69/370496369.db2.gz YUHNABHSBGVJSF-MOENNCHZSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1CC(C)C1 ZINC000621739007 370496178 /nfs/dbraw/zinc/49/61/78/370496178.db2.gz ZJALUFUPQYCQSP-HSOILSAZSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC(C)C1 ZINC000621739008 370496022 /nfs/dbraw/zinc/49/60/22/370496022.db2.gz ZJALUFUPQYCQSP-YVNMAJEFSA-N 1 0 237.309 3.743 20 0 BHADRO CC1CC(C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000621739277 370497387 /nfs/dbraw/zinc/49/73/87/370497387.db2.gz BBXOCGFHSUADNC-UHFFFAOYSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CC1CC(C)C1 ZINC000621739313 370496836 /nfs/dbraw/zinc/49/68/36/370496836.db2.gz CQUHVKXRAWIVAX-LXVYMNJGSA-N 1 0 237.412 3.705 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CC1CC(C)C1 ZINC000621739314 370496868 /nfs/dbraw/zinc/49/68/68/370496868.db2.gz CQUHVKXRAWIVAX-MBHSVXNSSA-N 1 0 237.412 3.705 20 0 BHADRO CC1CC(C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000621739428 370496829 /nfs/dbraw/zinc/49/68/29/370496829.db2.gz HTDHSIWBYRJOLZ-UHFFFAOYSA-N 1 0 229.367 3.568 20 0 BHADRO CC1CC(C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000621739770 370497236 /nfs/dbraw/zinc/49/72/36/370497236.db2.gz WSQXHHAWJHCBRQ-UHFFFAOYSA-N 1 0 247.357 3.707 20 0 BHADRO CC1CC(C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000621739846 370497214 /nfs/dbraw/zinc/49/72/14/370497214.db2.gz ZXVCZYNDGXRBAA-UHFFFAOYSA-N 1 0 247.357 3.707 20 0 BHADRO Clc1ccsc1C[NH+]1CC(CC2CC2)C1 ZINC000621740382 370499284 /nfs/dbraw/zinc/49/92/84/370499284.db2.gz NJEBCKQXMZOEOE-UHFFFAOYSA-N 1 0 241.787 3.633 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621740519 370499202 /nfs/dbraw/zinc/49/92/02/370499202.db2.gz UWOMDNQYZCYKFK-DLBZAZTESA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621740520 370499254 /nfs/dbraw/zinc/49/92/54/370499254.db2.gz UWOMDNQYZCYKFK-IAGOWNOFSA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621740521 370499402 /nfs/dbraw/zinc/49/94/02/370499402.db2.gz UWOMDNQYZCYKFK-IRXDYDNUSA-N 1 0 241.378 3.522 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621740522 370499421 /nfs/dbraw/zinc/49/94/21/370499421.db2.gz UWOMDNQYZCYKFK-SJORKVTESA-N 1 0 241.378 3.522 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000621767288 370508444 /nfs/dbraw/zinc/50/84/44/370508444.db2.gz BENMFXSVDDRICF-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000621767289 370508348 /nfs/dbraw/zinc/50/83/48/370508348.db2.gz BENMFXSVDDRICF-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000621767290 370507913 /nfs/dbraw/zinc/50/79/13/370507913.db2.gz BENMFXSVDDRICF-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000621767291 370508543 /nfs/dbraw/zinc/50/85/43/370508543.db2.gz BENMFXSVDDRICF-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccsc1 ZINC000621767352 370509650 /nfs/dbraw/zinc/50/96/50/370509650.db2.gz CEHRPQVSBPWKEY-GHMZBOCLSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccsc1 ZINC000621767353 370509461 /nfs/dbraw/zinc/50/94/61/370509461.db2.gz CEHRPQVSBPWKEY-MNOVXSKESA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccsc1 ZINC000621767354 370509608 /nfs/dbraw/zinc/50/96/08/370509608.db2.gz CEHRPQVSBPWKEY-QWRGUYRKSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccsc1 ZINC000621767355 370507865 /nfs/dbraw/zinc/50/78/65/370507865.db2.gz CEHRPQVSBPWKEY-WDEREUQCSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621767529 370509400 /nfs/dbraw/zinc/50/94/00/370509400.db2.gz GCAPXIZYTHXMHY-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621767530 370509603 /nfs/dbraw/zinc/50/96/03/370509603.db2.gz GCAPXIZYTHXMHY-QNWHQSFQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621767531 370509294 /nfs/dbraw/zinc/50/92/94/370509294.db2.gz GCAPXIZYTHXMHY-RNJOBUHISA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621767532 370509564 /nfs/dbraw/zinc/50/95/64/370509564.db2.gz GCAPXIZYTHXMHY-UMSGYPCISA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c(C)o1 ZINC000621767558 370509263 /nfs/dbraw/zinc/50/92/63/370509263.db2.gz GGYOWNSNNIESGY-GXSJLCMTSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c(C)o1 ZINC000621767559 370509632 /nfs/dbraw/zinc/50/96/32/370509632.db2.gz GGYOWNSNNIESGY-KOLCDFICSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c(C)o1 ZINC000621767560 370509573 /nfs/dbraw/zinc/50/95/73/370509573.db2.gz GGYOWNSNNIESGY-MWLCHTKSSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c(C)o1 ZINC000621767561 370509351 /nfs/dbraw/zinc/50/93/51/370509351.db2.gz GGYOWNSNNIESGY-ONGXEEELSA-N 1 0 243.297 3.592 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621767722 370509360 /nfs/dbraw/zinc/50/93/60/370509360.db2.gz IOUHTKOFXVNSMZ-QJPTWQEYSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621767723 370509252 /nfs/dbraw/zinc/50/92/52/370509252.db2.gz IOUHTKOFXVNSMZ-SDDRHHMPSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621767724 370507419 /nfs/dbraw/zinc/50/74/19/370507419.db2.gz IOUHTKOFXVNSMZ-SRVKXCTJSA-N 1 0 249.320 3.540 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621767725 370508052 /nfs/dbraw/zinc/50/80/52/370508052.db2.gz IOUHTKOFXVNSMZ-TUAOUCFPSA-N 1 0 249.320 3.540 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)o1 ZINC000621767817 370509429 /nfs/dbraw/zinc/50/94/29/370509429.db2.gz JPYKZDBYSDFJEH-NXEZZACHSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)o1 ZINC000621767818 370509469 /nfs/dbraw/zinc/50/94/69/370509469.db2.gz JPYKZDBYSDFJEH-UWVGGRQHSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)o1 ZINC000621767819 370509386 /nfs/dbraw/zinc/50/93/86/370509386.db2.gz JPYKZDBYSDFJEH-VHSXEESVSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)o1 ZINC000621767820 370509480 /nfs/dbraw/zinc/50/94/80/370509480.db2.gz JPYKZDBYSDFJEH-ZJUUUORDSA-N 1 0 243.297 3.538 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768406 370508215 /nfs/dbraw/zinc/50/82/15/370508215.db2.gz OPKGMIKQEZGXTR-FDYHWXHSSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768407 370508144 /nfs/dbraw/zinc/50/81/44/370508144.db2.gz OPKGMIKQEZGXTR-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768408 370508253 /nfs/dbraw/zinc/50/82/53/370508253.db2.gz OPKGMIKQEZGXTR-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768409 370508245 /nfs/dbraw/zinc/50/82/45/370508245.db2.gz OPKGMIKQEZGXTR-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768653 343891846 /nfs/dbraw/zinc/89/18/46/343891846.db2.gz SLWBYFQDLFDHEP-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768654 343891740 /nfs/dbraw/zinc/89/17/40/343891740.db2.gz SLWBYFQDLFDHEP-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768655 343891838 /nfs/dbraw/zinc/89/18/38/343891838.db2.gz SLWBYFQDLFDHEP-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768656 343891731 /nfs/dbraw/zinc/89/17/31/343891731.db2.gz SLWBYFQDLFDHEP-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)cs1 ZINC000621768802 370511809 /nfs/dbraw/zinc/51/18/09/370511809.db2.gz VHINVLAAHJJPRY-GXSJLCMTSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)cs1 ZINC000621768803 370511784 /nfs/dbraw/zinc/51/17/84/370511784.db2.gz VHINVLAAHJJPRY-KOLCDFICSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)cs1 ZINC000621768804 370511527 /nfs/dbraw/zinc/51/15/27/370511527.db2.gz VHINVLAAHJJPRY-MWLCHTKSSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)cs1 ZINC000621768805 370511854 /nfs/dbraw/zinc/51/18/54/370511854.db2.gz VHINVLAAHJJPRY-ONGXEEELSA-N 1 0 245.338 3.752 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768987 370508415 /nfs/dbraw/zinc/50/84/15/370508415.db2.gz XHJTTWLKQYHFNM-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768988 370508161 /nfs/dbraw/zinc/50/81/61/370508161.db2.gz XHJTTWLKQYHFNM-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768989 370508138 /nfs/dbraw/zinc/50/81/38/370508138.db2.gz XHJTTWLKQYHFNM-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768990 370508509 /nfs/dbraw/zinc/50/85/09/370508509.db2.gz XHJTTWLKQYHFNM-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)oc1C ZINC000621768999 370511604 /nfs/dbraw/zinc/51/16/04/370511604.db2.gz XIGLUSSXNLCUDM-GXSJLCMTSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)oc1C ZINC000621769000 370512026 /nfs/dbraw/zinc/51/20/26/370512026.db2.gz XIGLUSSXNLCUDM-KOLCDFICSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)oc1C ZINC000621769001 370512011 /nfs/dbraw/zinc/51/20/11/370512011.db2.gz XIGLUSSXNLCUDM-MWLCHTKSSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)oc1C ZINC000621769002 370511821 /nfs/dbraw/zinc/51/18/21/370511821.db2.gz XIGLUSSXNLCUDM-ONGXEEELSA-N 1 0 243.297 3.592 20 0 BHADRO FC1(F)C[C@H]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000621769031 370511285 /nfs/dbraw/zinc/51/12/85/370511285.db2.gz XVQHLZMIMHBGHV-GFCCVEGCSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)C[C@@H]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000621769032 370508261 /nfs/dbraw/zinc/50/82/61/370508261.db2.gz XVQHLZMIMHBGHV-LBPRGKRZSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000621769103 370511181 /nfs/dbraw/zinc/51/11/81/370511181.db2.gz YQIOSZIDPITFTG-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000621769104 370511173 /nfs/dbraw/zinc/51/11/73/370511173.db2.gz YQIOSZIDPITFTG-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000621769105 370512036 /nfs/dbraw/zinc/51/20/36/370512036.db2.gz YQIOSZIDPITFTG-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000621769106 370511829 /nfs/dbraw/zinc/51/18/29/370511829.db2.gz YQIOSZIDPITFTG-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCC1 ZINC000621769190 370511999 /nfs/dbraw/zinc/51/19/99/370511999.db2.gz ZDKCSGRSCVHHPY-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CCC1 ZINC000621769192 370511462 /nfs/dbraw/zinc/51/14/62/370511462.db2.gz ZDKCSGRSCVHHPY-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CCC1 ZINC000621769193 370511473 /nfs/dbraw/zinc/51/14/73/370511473.db2.gz ZDKCSGRSCVHHPY-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CCC1 ZINC000621769195 370511996 /nfs/dbraw/zinc/51/19/96/370511996.db2.gz ZDKCSGRSCVHHPY-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CC(C)C1)c1ccncc1 ZINC000621769557 343893644 /nfs/dbraw/zinc/89/36/44/343893644.db2.gz CNMYOXDGJSADFK-XUJLQICISA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CC(C)C1)c1ccncc1 ZINC000621769558 343893818 /nfs/dbraw/zinc/89/38/18/343893818.db2.gz CNMYOXDGJSADFK-ZBCRRDGASA-N 1 0 246.398 3.805 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000621769963 370512330 /nfs/dbraw/zinc/51/23/30/370512330.db2.gz JSEXEBVUKIIUPV-LNNYQDNLSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000621769964 370512372 /nfs/dbraw/zinc/51/23/72/370512372.db2.gz JSEXEBVUKIIUPV-YCKYNJIMSA-N 1 0 249.423 3.876 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1 ZINC000621769987 370510320 /nfs/dbraw/zinc/51/03/20/370510320.db2.gz KBPYDZAKDYVIDP-CHWSQXEVSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1 ZINC000621769988 370510302 /nfs/dbraw/zinc/51/03/02/370510302.db2.gz KBPYDZAKDYVIDP-OLZOCXBDSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1 ZINC000621769989 370510348 /nfs/dbraw/zinc/51/03/48/370510348.db2.gz KBPYDZAKDYVIDP-QWHCGFSZSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1 ZINC000621769990 370511202 /nfs/dbraw/zinc/51/12/02/370511202.db2.gz KBPYDZAKDYVIDP-STQMWFEESA-N 1 0 239.309 3.773 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770005 370512661 /nfs/dbraw/zinc/51/26/61/370512661.db2.gz KHHJYYBWVJCSHY-NXEZZACHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621770006 370512686 /nfs/dbraw/zinc/51/26/86/370512686.db2.gz KHHJYYBWVJCSHY-UWVGGRQHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770007 370512828 /nfs/dbraw/zinc/51/28/28/370512828.db2.gz KHHJYYBWVJCSHY-VHSXEESVSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621770008 370512577 /nfs/dbraw/zinc/51/25/77/370512577.db2.gz KHHJYYBWVJCSHY-ZJUUUORDSA-N 1 0 245.338 3.752 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(F)c1 ZINC000621770057 370512857 /nfs/dbraw/zinc/51/28/57/370512857.db2.gz LEBYJLGYVOHWGZ-GXSJLCMTSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(F)c1 ZINC000621770058 370512495 /nfs/dbraw/zinc/51/24/95/370512495.db2.gz LEBYJLGYVOHWGZ-KOLCDFICSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(F)c1 ZINC000621770059 370512412 /nfs/dbraw/zinc/51/24/12/370512412.db2.gz LEBYJLGYVOHWGZ-MWLCHTKSSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(F)c1 ZINC000621770060 370512350 /nfs/dbraw/zinc/51/23/50/370512350.db2.gz LEBYJLGYVOHWGZ-ONGXEEELSA-N 1 0 243.272 3.522 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621770122 370511378 /nfs/dbraw/zinc/51/13/78/370511378.db2.gz LWTAYZZJCGNYDZ-NEPJUHHUSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770123 370511421 /nfs/dbraw/zinc/51/14/21/370511421.db2.gz LWTAYZZJCGNYDZ-NWDGAFQWSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621770124 370511950 /nfs/dbraw/zinc/51/19/50/370511950.db2.gz LWTAYZZJCGNYDZ-RYUDHWBXSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770125 370511219 /nfs/dbraw/zinc/51/12/19/370511219.db2.gz LWTAYZZJCGNYDZ-VXGBXAGGSA-N 1 0 239.309 3.691 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccs1 ZINC000621770152 370512949 /nfs/dbraw/zinc/51/29/49/370512949.db2.gz MJGCAVPNGLHHFC-NXEZZACHSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccs1 ZINC000621770153 370513143 /nfs/dbraw/zinc/51/31/43/370513143.db2.gz MJGCAVPNGLHHFC-UWVGGRQHSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccs1 ZINC000621770154 370511628 /nfs/dbraw/zinc/51/16/28/370511628.db2.gz MJGCAVPNGLHHFC-VHSXEESVSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccs1 ZINC000621770155 370511844 /nfs/dbraw/zinc/51/18/44/370511844.db2.gz MJGCAVPNGLHHFC-ZJUUUORDSA-N 1 0 245.338 3.834 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770262 370512837 /nfs/dbraw/zinc/51/28/37/370512837.db2.gz NYIJCXQSZOONGU-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621770263 370512640 /nfs/dbraw/zinc/51/26/40/370512640.db2.gz NYIJCXQSZOONGU-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621770264 370512502 /nfs/dbraw/zinc/51/25/02/370512502.db2.gz NYIJCXQSZOONGU-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621770265 370512721 /nfs/dbraw/zinc/51/27/21/370512721.db2.gz NYIJCXQSZOONGU-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)s1 ZINC000621770372 370513092 /nfs/dbraw/zinc/51/30/92/370513092.db2.gz PLBROCITANIIDQ-NXEZZACHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)s1 ZINC000621770373 370512425 /nfs/dbraw/zinc/51/24/25/370512425.db2.gz PLBROCITANIIDQ-UWVGGRQHSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)s1 ZINC000621770374 370512532 /nfs/dbraw/zinc/51/25/32/370512532.db2.gz PLBROCITANIIDQ-VHSXEESVSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)s1 ZINC000621770375 370513008 /nfs/dbraw/zinc/51/30/08/370513008.db2.gz PLBROCITANIIDQ-ZJUUUORDSA-N 1 0 245.338 3.752 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1 ZINC000621770485 370512915 /nfs/dbraw/zinc/51/29/15/370512915.db2.gz RZPWVVOVRZRUTC-GXSJLCMTSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1 ZINC000621770486 370513032 /nfs/dbraw/zinc/51/30/32/370513032.db2.gz RZPWVVOVRZRUTC-KOLCDFICSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1 ZINC000621770487 370512926 /nfs/dbraw/zinc/51/29/26/370512926.db2.gz RZPWVVOVRZRUTC-MWLCHTKSSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1 ZINC000621770488 370512558 /nfs/dbraw/zinc/51/25/58/370512558.db2.gz RZPWVVOVRZRUTC-ONGXEEELSA-N 1 0 243.272 3.522 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000621770564 370512924 /nfs/dbraw/zinc/51/29/24/370512924.db2.gz TWBFPGZGDQKBSP-AAEUAGOBSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000621770565 370512484 /nfs/dbraw/zinc/51/24/84/370512484.db2.gz TWBFPGZGDQKBSP-DGCLKSJQSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000621770566 370512366 /nfs/dbraw/zinc/51/23/66/370512366.db2.gz TWBFPGZGDQKBSP-WCQYABFASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000621770567 370512976 /nfs/dbraw/zinc/51/29/76/370512976.db2.gz TWBFPGZGDQKBSP-YPMHNXCESA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000621770635 370513550 /nfs/dbraw/zinc/51/35/50/370513550.db2.gz UXRYGSQGJWDGSW-AAEUAGOBSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000621770636 370513894 /nfs/dbraw/zinc/51/38/94/370513894.db2.gz UXRYGSQGJWDGSW-DGCLKSJQSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000621770637 370513944 /nfs/dbraw/zinc/51/39/44/370513944.db2.gz UXRYGSQGJWDGSW-WCQYABFASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000621770638 370513582 /nfs/dbraw/zinc/51/35/82/370513582.db2.gz UXRYGSQGJWDGSW-YPMHNXCESA-N 1 0 239.309 3.691 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CC(C)C1)c1ccccn1 ZINC000621771618 370513695 /nfs/dbraw/zinc/51/36/95/370513695.db2.gz GUSFPFDEMVMAPJ-XUJLQICISA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CC(C)C1)c1ccccn1 ZINC000621771619 370513808 /nfs/dbraw/zinc/51/38/08/370513808.db2.gz GUSFPFDEMVMAPJ-ZBCRRDGASA-N 1 0 246.398 3.805 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC(C)C2)c(C)o1 ZINC000621771824 343894917 /nfs/dbraw/zinc/89/49/17/343894917.db2.gz NXKJQZKQQIIFGM-DMLGSKKGSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC(C)C2)c(C)o1 ZINC000621771825 343894920 /nfs/dbraw/zinc/89/49/20/343894920.db2.gz NXKJQZKQQIIFGM-QDYJBQRPSA-N 1 0 221.344 3.593 20 0 BHADRO CC1CC(C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000621771840 343894766 /nfs/dbraw/zinc/89/47/66/343894766.db2.gz OLLGWBXHNYAUPL-PIMMBPRGSA-N 1 0 245.366 3.536 20 0 BHADRO CC1CC(C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000621771841 343894667 /nfs/dbraw/zinc/89/46/67/343894667.db2.gz OLLGWBXHNYAUPL-SSDMNJCBSA-N 1 0 245.366 3.536 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(C)C1)c1cccnc1 ZINC000621771844 343897327 /nfs/dbraw/zinc/89/73/27/343897327.db2.gz OPLQLUGIYYVKAV-PIMMBPRGSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(C)C1)c1cccnc1 ZINC000621771845 343897226 /nfs/dbraw/zinc/89/72/26/343897226.db2.gz OPLQLUGIYYVKAV-SSDMNJCBSA-N 1 0 232.371 3.559 20 0 BHADRO CC1CC(C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000621771980 370515127 /nfs/dbraw/zinc/51/51/27/370515127.db2.gz UCHRKJYVPMRFDK-SEEARECTSA-N 1 0 244.382 3.559 20 0 BHADRO CC1CC(C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000621771981 370514923 /nfs/dbraw/zinc/51/49/23/370514923.db2.gz UCHRKJYVPMRFDK-ZUEPYMLJSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC(C)C1)c1ccccn1 ZINC000621772061 370515158 /nfs/dbraw/zinc/51/51/58/370515158.db2.gz WRTKMUHIBDDIFK-JXQTWKCFSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]CC1CC(C)C1)c1ccccn1 ZINC000621772062 370515196 /nfs/dbraw/zinc/51/51/96/370515196.db2.gz WRTKMUHIBDDIFK-RUXDESIVSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC(C)C2)oc1C ZINC000621772075 370514874 /nfs/dbraw/zinc/51/48/74/370514874.db2.gz XCZPUQNWTIUSDT-DMLGSKKGSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC(C)C2)oc1C ZINC000621772076 370514834 /nfs/dbraw/zinc/51/48/34/370514834.db2.gz XCZPUQNWTIUSDT-QDYJBQRPSA-N 1 0 221.344 3.593 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1CC(C)C1 ZINC000621772089 370514756 /nfs/dbraw/zinc/51/47/56/370514756.db2.gz XXKXNTKNTFKHAX-CKBZRRDASA-N 1 0 223.385 3.753 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1CC(C)C1 ZINC000621772090 370514682 /nfs/dbraw/zinc/51/46/82/370514682.db2.gz XXKXNTKNTFKHAX-ZYXZCXLHSA-N 1 0 223.385 3.753 20 0 BHADRO CC1CC(C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000621772111 370513692 /nfs/dbraw/zinc/51/36/92/370513692.db2.gz YQQWETPUNLBPFF-CLRIEMFWSA-N 1 0 227.367 3.541 20 0 BHADRO CC1CC(C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000621772112 370513918 /nfs/dbraw/zinc/51/39/18/370513918.db2.gz YQQWETPUNLBPFF-HOAMVYINSA-N 1 0 227.367 3.541 20 0 BHADRO CC1CC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000621772113 370513833 /nfs/dbraw/zinc/51/38/33/370513833.db2.gz YQQWETPUNLBPFF-NWINJMCUSA-N 1 0 227.367 3.541 20 0 BHADRO CC1CC(C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000621772114 370513821 /nfs/dbraw/zinc/51/38/21/370513821.db2.gz YQQWETPUNLBPFF-PQAZSJQKSA-N 1 0 227.367 3.541 20 0 BHADRO CCCc1ccc(C[NH2+]CCOC(C)(C)C)cc1 ZINC000621813809 370546582 /nfs/dbraw/zinc/54/65/82/370546582.db2.gz FJBDKDPHDOQWPQ-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CCCc1ccc(C[NH2+]CCCCCOC)cc1 ZINC000621813892 370546443 /nfs/dbraw/zinc/54/64/43/370546443.db2.gz HDSVPNQHNHZUFR-UHFFFAOYSA-N 1 0 249.398 3.545 20 0 BHADRO CCCc1ccc(CNc2[nH+]ccn2CC)s1 ZINC000622002513 370652480 /nfs/dbraw/zinc/65/24/80/370652480.db2.gz LXNRQTIOKNAMRZ-UHFFFAOYSA-N 1 0 249.383 3.529 20 0 BHADRO C[N@H+](CCc1ccccc1Cl)C1CCCC1 ZINC000622020245 370666511 /nfs/dbraw/zinc/66/65/11/370666511.db2.gz XWACZGYJSFOJFC-UHFFFAOYSA-N 1 0 237.774 3.757 20 0 BHADRO Clc1ccccc1CC[NH+]1C2CCC1CC2 ZINC000622020960 370667472 /nfs/dbraw/zinc/66/74/72/370667472.db2.gz WOUGVOYGMNNHQX-UHFFFAOYSA-N 1 0 235.758 3.509 20 0 BHADRO CCC[N@H+](CC)CCc1ccccc1Cl ZINC000622032901 370670472 /nfs/dbraw/zinc/67/04/72/370670472.db2.gz HQVKWUGUEFFPNS-UHFFFAOYSA-N 1 0 225.763 3.614 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000622260765 370808276 /nfs/dbraw/zinc/80/82/76/370808276.db2.gz GYFLAYWBAXMINE-HIFRSBDPSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000622260766 370808841 /nfs/dbraw/zinc/80/88/41/370808841.db2.gz GYFLAYWBAXMINE-UKRRQHHQSA-N 1 0 217.356 3.870 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000622260968 370808212 /nfs/dbraw/zinc/80/82/12/370808212.db2.gz XTPORUWDGMFMBL-DZGCQCFKSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000622260969 370808181 /nfs/dbraw/zinc/80/81/81/370808181.db2.gz XTPORUWDGMFMBL-UKRRQHHQSA-N 1 0 247.382 3.637 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000622260970 370808602 /nfs/dbraw/zinc/80/86/02/370808602.db2.gz XTPORUWDGMFMBL-ZFWWWQNUSA-N 1 0 247.382 3.637 20 0 BHADRO CC[N@H+](CCC(F)(F)F)CC1CCCCC1 ZINC000623120640 351052127 /nfs/dbraw/zinc/05/21/27/351052127.db2.gz FDGIQSXTKGPUHX-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1cccc(C)c1 ZINC000623120656 351051861 /nfs/dbraw/zinc/05/18/61/351051861.db2.gz FZVKBEAAKZVWFF-UHFFFAOYSA-N 1 0 245.288 3.769 20 0 BHADRO CCN(CCC(F)(F)F)Cc1ccccc1F ZINC000623120923 351053472 /nfs/dbraw/zinc/05/34/72/351053472.db2.gz NKTVVZXUOPSTOZ-UHFFFAOYSA-N 1 0 249.251 3.600 20 0 BHADRO CC[N@H+](CCC(F)(F)F)Cc1ccc(C)cc1 ZINC000623121910 351053239 /nfs/dbraw/zinc/05/32/39/351053239.db2.gz SSUPCCMNWIFBJM-UHFFFAOYSA-N 1 0 245.288 3.769 20 0 BHADRO COc1cc(C)ccc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000623171008 353201079 /nfs/dbraw/zinc/20/10/79/353201079.db2.gz JOXWWFLUIMFAKZ-GFCCVEGCSA-N 1 0 241.334 3.690 20 0 BHADRO COc1cc(C)ccc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000623171009 353201110 /nfs/dbraw/zinc/20/11/10/353201110.db2.gz JOXWWFLUIMFAKZ-LBPRGKRZSA-N 1 0 241.334 3.690 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccncc1 ZINC000623194237 354832546 /nfs/dbraw/zinc/83/25/46/354832546.db2.gz ALRFTOBWCBPMLA-AWEZNQCLSA-N 1 0 240.350 3.665 20 0 BHADRO CC[N@H+](Cc1ccccc1)[C@H](C)c1ccncc1 ZINC000623194238 354832899 /nfs/dbraw/zinc/83/28/99/354832899.db2.gz ALRFTOBWCBPMLA-CQSZACIVSA-N 1 0 240.350 3.665 20 0 BHADRO CCC[C@H](C)[NH2+]CC(C)(C)C(F)(F)CC ZINC000623335200 356717462 /nfs/dbraw/zinc/71/74/62/356717462.db2.gz BACUEJMTJFRCLB-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(C)(C)C(F)(F)CC ZINC000623335201 356717037 /nfs/dbraw/zinc/71/70/37/356717037.db2.gz BACUEJMTJFRCLB-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC(C)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623336106 356721938 /nfs/dbraw/zinc/72/19/38/356721938.db2.gz VVYSGECHDJMMMY-UHFFFAOYSA-N 1 0 237.290 3.513 20 0 BHADRO CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623336161 356721541 /nfs/dbraw/zinc/72/15/41/356721541.db2.gz ZFLAROOHRZXNSS-UHFFFAOYSA-N 1 0 237.290 3.657 20 0 BHADRO FC(F)(F)c1cc(C[NH2+]C2CCCC2)cs1 ZINC000623336186 356723603 /nfs/dbraw/zinc/72/36/03/356723603.db2.gz ASZVBWZLNXVKAM-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCC(CC)[NH2+]CC(C)(C)C(F)(F)CC ZINC000623336411 356724045 /nfs/dbraw/zinc/72/40/45/356724045.db2.gz MSVCPFBIQXFRHB-UHFFFAOYSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623336697 356727534 /nfs/dbraw/zinc/72/75/34/356727534.db2.gz APWXTKDRYGCKNT-SSDOTTSWSA-N 1 0 237.290 3.655 20 0 BHADRO CC[C@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623336698 356727834 /nfs/dbraw/zinc/72/78/34/356727834.db2.gz APWXTKDRYGCKNT-ZETCQYMHSA-N 1 0 237.290 3.655 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccccc1 ZINC000623337813 356731594 /nfs/dbraw/zinc/73/15/94/356731594.db2.gz YBNDDNVLLVZSQA-UHFFFAOYSA-N 1 0 241.325 3.848 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cccs1 ZINC000623338940 356735583 /nfs/dbraw/zinc/73/55/83/356735583.db2.gz BSSQPEKLMQTARV-UHFFFAOYSA-N 1 0 247.354 3.909 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)C(C)C ZINC000623340448 356739493 /nfs/dbraw/zinc/73/94/93/356739493.db2.gz IUIYAZAQSXGHPW-JTQLQIEISA-N 1 0 221.335 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)C(C)C ZINC000623340449 356739076 /nfs/dbraw/zinc/73/90/76/356739076.db2.gz IUIYAZAQSXGHPW-SNVBAGLBSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000623341649 356742058 /nfs/dbraw/zinc/74/20/58/356742058.db2.gz LZOJHOKRKKBFNG-SSDOTTSWSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000623341650 356742006 /nfs/dbraw/zinc/74/20/06/356742006.db2.gz LZOJHOKRKKBFNG-ZETCQYMHSA-N 1 0 249.301 3.655 20 0 BHADRO CC(C)(C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623351143 356773859 /nfs/dbraw/zinc/77/38/59/356773859.db2.gz CXLCUEUIXQNYFW-UHFFFAOYSA-N 1 0 237.290 3.655 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccsc1 ZINC000623357178 356794062 /nfs/dbraw/zinc/79/40/62/356794062.db2.gz BHPYEMZDUFPLPD-UHFFFAOYSA-N 1 0 247.354 3.909 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623357544 356795162 /nfs/dbraw/zinc/79/51/62/356795162.db2.gz VAEBJENQTQMACF-APPZFPTMSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623357545 356795177 /nfs/dbraw/zinc/79/51/77/356795177.db2.gz VAEBJENQTQMACF-CBAPKCEASA-N 1 0 249.301 3.513 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623357546 356795117 /nfs/dbraw/zinc/79/51/17/356795117.db2.gz VAEBJENQTQMACF-IONNQARKSA-N 1 0 249.301 3.513 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623357547 356795017 /nfs/dbraw/zinc/79/50/17/356795017.db2.gz VAEBJENQTQMACF-VXNVDRBHSA-N 1 0 249.301 3.513 20 0 BHADRO CC1(C)C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000623371407 356879930 /nfs/dbraw/zinc/87/99/30/356879930.db2.gz AWGUWHIFQIEXFK-MRVPVSSYSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623371587 356880064 /nfs/dbraw/zinc/88/00/64/356880064.db2.gz KHRAETNHTQHCPY-FIXIBIHLSA-N 1 0 249.423 3.703 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623371588 356879937 /nfs/dbraw/zinc/87/99/37/356879937.db2.gz KHRAETNHTQHCPY-GVARAGBVSA-N 1 0 249.423 3.703 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)[C@@H]1C[C@H]1C1CC1 ZINC000623371589 356880398 /nfs/dbraw/zinc/88/03/98/356880398.db2.gz KHRAETNHTQHCPY-JLUCKKNBSA-N 1 0 249.423 3.703 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623371590 356880150 /nfs/dbraw/zinc/88/01/50/356880150.db2.gz KHRAETNHTQHCPY-PKIAMQTDSA-N 1 0 249.423 3.703 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccoc1C ZINC000623372471 356880834 /nfs/dbraw/zinc/88/08/34/356880834.db2.gz VWKAPFVBSGNYFP-UHFFFAOYSA-N 1 0 245.313 3.749 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]CC(C)(C)C ZINC000623374388 356890797 /nfs/dbraw/zinc/89/07/97/356890797.db2.gz CORCKXBGVJBGGH-UHFFFAOYSA-N 1 0 221.335 3.694 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]C(C1CC1)C1CC1 ZINC000623378734 387207166 /nfs/dbraw/zinc/20/71/66/387207166.db2.gz NWKHEYXPQADDIA-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO FC(F)(F)c1cc(C[NH2+]CC2CCC2)cs1 ZINC000623378915 387206090 /nfs/dbraw/zinc/20/60/90/387206090.db2.gz XQTHANLEFHGTQK-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO Cc1cc(C[NH2+]CCCCC(C)(C)C)ccn1 ZINC000623401996 357047266 /nfs/dbraw/zinc/04/72/66/357047266.db2.gz XJEWCZXIUQKLGA-UHFFFAOYSA-N 1 0 234.387 3.696 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)CC1CC1 ZINC000623417112 357870204 /nfs/dbraw/zinc/87/02/04/357870204.db2.gz SYFAVVOSQALKJW-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)CC1CC1 ZINC000623417113 357870015 /nfs/dbraw/zinc/87/00/15/357870015.db2.gz SYFAVVOSQALKJW-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+]CCC1CC1 ZINC000623432861 358946244 /nfs/dbraw/zinc/94/62/44/358946244.db2.gz NXWJDBAEZZWBKL-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO FC(F)(F)c1cc(C[NH2+]CCC2CC2)cs1 ZINC000623432886 358946239 /nfs/dbraw/zinc/94/62/39/358946239.db2.gz OZPWKPMREKNFMF-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO COCC[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433956 359087544 /nfs/dbraw/zinc/08/75/44/359087544.db2.gz UZJKGIQVOYHXOF-CYBMUJFWSA-N 1 0 249.398 3.623 20 0 BHADRO COCC[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433957 359087314 /nfs/dbraw/zinc/08/73/14/359087314.db2.gz UZJKGIQVOYHXOF-ZDUSSCGKSA-N 1 0 249.398 3.623 20 0 BHADRO CC1CC([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623438534 359331779 /nfs/dbraw/zinc/33/17/79/359331779.db2.gz CNPMATUHKVAROV-UHFFFAOYSA-N 1 0 249.301 3.655 20 0 BHADRO CC1(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623439317 359332388 /nfs/dbraw/zinc/33/23/88/359332388.db2.gz FDKGJTUEEMDPLH-UHFFFAOYSA-N 1 0 249.301 3.657 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]CC1(C)CCC1 ZINC000623441473 359334902 /nfs/dbraw/zinc/33/49/02/359334902.db2.gz VJJUJYVYMDXLBW-UHFFFAOYSA-N 1 0 233.346 3.838 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)CC(C)C)ccn1 ZINC000623442180 359335282 /nfs/dbraw/zinc/33/52/82/359335282.db2.gz BVZQSTAEJLIZEV-UHFFFAOYSA-N 1 0 234.387 3.552 20 0 BHADRO FC(F)(F)c1cc(C[NH2+]C2CC=CC2)cs1 ZINC000623447208 359339437 /nfs/dbraw/zinc/33/94/37/359339437.db2.gz JGDNUWWWVGVLKF-UHFFFAOYSA-N 1 0 247.285 3.575 20 0 BHADRO CC1([NH2+]Cc2csc(C(F)(F)F)c2)CCC1 ZINC000623472267 360048613 /nfs/dbraw/zinc/04/86/13/360048613.db2.gz KCWNSEDVKARFST-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)C1CCC1 ZINC000623473928 360405555 /nfs/dbraw/zinc/40/55/55/360405555.db2.gz MJJYFEPZLZMSMU-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)C1CCC1 ZINC000623473929 360405339 /nfs/dbraw/zinc/40/53/39/360405339.db2.gz MJJYFEPZLZMSMU-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)=CC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623506012 362929769 /nfs/dbraw/zinc/92/97/69/362929769.db2.gz ZWQFSJNKGZVEEK-UHFFFAOYSA-N 1 0 249.301 3.823 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@@H]1C[C@H]1C1CC1 ZINC000623515953 362940857 /nfs/dbraw/zinc/94/08/57/362940857.db2.gz XLHKABPDRYLKNJ-DJBIQUGXSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccsc1 ZINC000623515954 362941307 /nfs/dbraw/zinc/94/13/07/362941307.db2.gz XLHKABPDRYLKNJ-JYILRKAJSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccsc1 ZINC000623515955 362940908 /nfs/dbraw/zinc/94/09/08/362940908.db2.gz XLHKABPDRYLKNJ-NUZBWSBOSA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccsc1 ZINC000623515956 362940875 /nfs/dbraw/zinc/94/08/75/362940875.db2.gz XLHKABPDRYLKNJ-OAACRXHESA-N 1 0 235.396 3.833 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623524127 362944831 /nfs/dbraw/zinc/94/48/31/362944831.db2.gz FAGXRCGXGVVDIU-APPZFPTMSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623524128 362944490 /nfs/dbraw/zinc/94/44/90/362944490.db2.gz FAGXRCGXGVVDIU-CBAPKCEASA-N 1 0 249.301 3.655 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623524129 362944567 /nfs/dbraw/zinc/94/45/67/362944567.db2.gz FAGXRCGXGVVDIU-IONNQARKSA-N 1 0 249.301 3.655 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623524130 362944988 /nfs/dbraw/zinc/94/49/88/362944988.db2.gz FAGXRCGXGVVDIU-VXNVDRBHSA-N 1 0 249.301 3.655 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1occc1C ZINC000623530693 362948292 /nfs/dbraw/zinc/94/82/92/362948292.db2.gz JCEZOIDGKQIIFA-UHFFFAOYSA-N 1 0 245.313 3.749 20 0 BHADRO CCC1([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623536743 362955286 /nfs/dbraw/zinc/95/52/86/362955286.db2.gz AXYDAOVVOFENFK-UHFFFAOYSA-N 1 0 249.301 3.799 20 0 BHADRO CC/C=C\C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623537985 362957182 /nfs/dbraw/zinc/95/71/82/362957182.db2.gz PZSRRSYQSHSUQV-ARJAWSKDSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C/C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623537986 362957079 /nfs/dbraw/zinc/95/70/79/362957079.db2.gz PZSRRSYQSHSUQV-ONEGZZNKSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C\C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623538010 362956896 /nfs/dbraw/zinc/95/68/96/362956896.db2.gz RKOAULMDMXQEFZ-ARJAWSKDSA-N 1 0 249.301 3.823 20 0 BHADRO CC/C=C/C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623538011 362957268 /nfs/dbraw/zinc/95/72/68/362957268.db2.gz RKOAULMDMXQEFZ-ONEGZZNKSA-N 1 0 249.301 3.823 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)CC(F)(F)F ZINC000623550098 362970734 /nfs/dbraw/zinc/97/07/34/362970734.db2.gz ARKLHSWTRJSKPL-LSKIRQOJSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000623550099 362970984 /nfs/dbraw/zinc/97/09/84/362970984.db2.gz ARKLHSWTRJSKPL-QCMRWSPLSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CC(F)(F)F ZINC000623550100 362971091 /nfs/dbraw/zinc/97/10/91/362971091.db2.gz ARKLHSWTRJSKPL-QCZKYFFMSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CC(F)(F)F ZINC000623550101 362971108 /nfs/dbraw/zinc/97/11/08/362971108.db2.gz ARKLHSWTRJSKPL-QSFUFRPTSA-N 1 0 249.320 3.599 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)C(F)(F)CC ZINC000623552391 362973574 /nfs/dbraw/zinc/97/35/74/362973574.db2.gz CYVVKVYMXQSACR-JTQLQIEISA-N 1 0 221.335 3.694 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)C(F)(F)CC ZINC000623552392 362973195 /nfs/dbraw/zinc/97/31/95/362973195.db2.gz CYVVKVYMXQSACR-SNVBAGLBSA-N 1 0 221.335 3.694 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623559175 362982345 /nfs/dbraw/zinc/98/23/45/362982345.db2.gz UVOVMNPSHUYHDS-FGRBZMEHSA-N 1 0 239.378 3.539 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623559176 362982162 /nfs/dbraw/zinc/98/21/62/362982162.db2.gz UVOVMNPSHUYHDS-LKWTXTLSSA-N 1 0 239.378 3.539 20 0 BHADRO c1cc2ccc(C[NH2+]C3(C4CCC4)CC3)cc2[nH]1 ZINC000623560098 362983796 /nfs/dbraw/zinc/98/37/96/362983796.db2.gz VRBQXCNIHOYXTF-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C1CC1 ZINC000623569962 362999443 /nfs/dbraw/zinc/99/94/43/362999443.db2.gz BYBCINNJZXGEHM-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C1CC1 ZINC000623569963 362999728 /nfs/dbraw/zinc/99/97/28/362999728.db2.gz BYBCINNJZXGEHM-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000623573406 363001995 /nfs/dbraw/zinc/00/19/95/363001995.db2.gz HLVOJJQKHPTXMC-UBHSHLNASA-N 1 0 221.388 3.589 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000623573407 363002368 /nfs/dbraw/zinc/00/23/68/363002368.db2.gz HLVOJJQKHPTXMC-XBFCOCLRSA-N 1 0 221.388 3.589 20 0 BHADRO CC1(C)CCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000623584061 363017102 /nfs/dbraw/zinc/01/71/02/363017102.db2.gz FBRUFYMGZSKCPA-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000623584062 363017501 /nfs/dbraw/zinc/01/75/01/363017501.db2.gz FBRUFYMGZSKCPA-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@H]1CCSC1 ZINC000623584128 363018474 /nfs/dbraw/zinc/01/84/74/363018474.db2.gz JZOXMGSCOHPGKK-CHWSQXEVSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@H]1CC[NH2+]C[C@H]1CCSC1 ZINC000623584129 363018535 /nfs/dbraw/zinc/01/85/35/363018535.db2.gz JZOXMGSCOHPGKK-OLZOCXBDSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@@H]1CCSC1 ZINC000623584130 363018479 /nfs/dbraw/zinc/01/84/79/363018479.db2.gz JZOXMGSCOHPGKK-QWHCGFSZSA-N 1 0 241.444 3.546 20 0 BHADRO CC1(C)CCC[C@H]1CC[NH2+]C[C@@H]1CCSC1 ZINC000623584131 363018522 /nfs/dbraw/zinc/01/85/22/363018522.db2.gz JZOXMGSCOHPGKK-STQMWFEESA-N 1 0 241.444 3.546 20 0 BHADRO CC(C)c1cccc(C[NH2+]Cc2ccns2)c1 ZINC000623597898 363033874 /nfs/dbraw/zinc/03/38/74/363033874.db2.gz IKLNKZGVNAJUDT-UHFFFAOYSA-N 1 0 246.379 3.556 20 0 BHADRO CC[C@@H](C)c1cccc(NC2CC[NH+](C)CC2)c1 ZINC000623605346 363044710 /nfs/dbraw/zinc/04/47/10/363044710.db2.gz CUHITCHDOYVSNN-CYBMUJFWSA-N 1 0 246.398 3.706 20 0 BHADRO CC[C@H](C)c1cccc(NC2CC[NH+](C)CC2)c1 ZINC000623605347 363044492 /nfs/dbraw/zinc/04/44/92/363044492.db2.gz CUHITCHDOYVSNN-ZDUSSCGKSA-N 1 0 246.398 3.706 20 0 BHADRO Cc1ccc2cc(C[NH2+]CC3CC=CC3)[nH]c2c1 ZINC000623612760 363052782 /nfs/dbraw/zinc/05/27/82/363052782.db2.gz JPIXPLUEQLVQKS-UHFFFAOYSA-N 1 0 240.350 3.532 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]CC3CC=CC3)cc21 ZINC000623612897 363052691 /nfs/dbraw/zinc/05/26/91/363052691.db2.gz QAQWFMMJQDUTRT-UHFFFAOYSA-N 1 0 240.350 3.532 20 0 BHADRO CSc1ccc(C[NH2+]CC2CC=CC2)s1 ZINC000623613397 363053092 /nfs/dbraw/zinc/05/30/92/363053092.db2.gz RYEAGVXTGSEVRU-UHFFFAOYSA-N 1 0 239.409 3.526 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000623639296 368303937 /nfs/dbraw/zinc/30/39/37/368303937.db2.gz MOJAFLPDADUJDC-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000623639297 368304524 /nfs/dbraw/zinc/30/45/24/368304524.db2.gz MOJAFLPDADUJDC-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000623639357 368304144 /nfs/dbraw/zinc/30/41/44/368304144.db2.gz PKDSAKYLBQLKLC-BBRMVZONSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000623639358 368303389 /nfs/dbraw/zinc/30/33/89/368303389.db2.gz PKDSAKYLBQLKLC-CJNGLKHVSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000623639359 368303722 /nfs/dbraw/zinc/30/37/22/368303722.db2.gz PKDSAKYLBQLKLC-CZUORRHYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000623639360 368303903 /nfs/dbraw/zinc/30/39/03/368303903.db2.gz PKDSAKYLBQLKLC-XJKSGUPXSA-N 1 0 246.398 3.949 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000623647457 368970433 /nfs/dbraw/zinc/97/04/33/368970433.db2.gz HMBMZDBTCBNXFG-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]C2CCCCC2)nc1 ZINC000623647898 368971497 /nfs/dbraw/zinc/97/14/97/368971497.db2.gz SEMABMSKFBENRY-UHFFFAOYSA-N 1 0 246.398 3.590 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000623648286 368973274 /nfs/dbraw/zinc/97/32/74/368973274.db2.gz CPCFUYSWRPXENH-CYBMUJFWSA-N 1 0 248.414 3.693 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000623648287 368972953 /nfs/dbraw/zinc/97/29/53/368972953.db2.gz CPCFUYSWRPXENH-ZDUSSCGKSA-N 1 0 248.414 3.693 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CCCC(C)C)nc1 ZINC000623648556 368971842 /nfs/dbraw/zinc/97/18/42/368971842.db2.gz OXXXVVMWSQWWJS-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)CC(C)C)nc1 ZINC000623648604 368971669 /nfs/dbraw/zinc/97/16/69/368971669.db2.gz RGTDGHDNZMBWDY-AWEZNQCLSA-N 1 0 248.414 3.692 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)CC(C)C)nc1 ZINC000623648605 368971781 /nfs/dbraw/zinc/97/17/81/368971781.db2.gz RGTDGHDNZMBWDY-CQSZACIVSA-N 1 0 248.414 3.692 20 0 BHADRO CC(C)CCO[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC000623678366 369376988 /nfs/dbraw/zinc/37/69/88/369376988.db2.gz IKFYVBSFAABTRY-SHTZXODSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(F)(F)CNC[C@H](C)c1ccc(F)cc1 ZINC000623679828 398290395 /nfs/dbraw/zinc/29/03/95/398290395.db2.gz LIXRXPYGFLEGJK-JTQLQIEISA-N 1 0 245.288 3.564 20 0 BHADRO CCC(F)(F)CNC/C(C)=C/c1ccccc1 ZINC000623679993 369381677 /nfs/dbraw/zinc/38/16/77/369381677.db2.gz SBGSKUNMVOZHDP-FMIVXFBMSA-N 1 0 239.309 3.725 20 0 BHADRO CCC(F)(F)CNC/C(C)=C\c1ccccc1 ZINC000623679994 369382002 /nfs/dbraw/zinc/38/20/02/369382002.db2.gz SBGSKUNMVOZHDP-XFXZXTDPSA-N 1 0 239.309 3.725 20 0 BHADRO CCC(F)(F)CNCc1coc2ccccc12 ZINC000623680020 369381490 /nfs/dbraw/zinc/38/14/90/369381490.db2.gz UOXCLORTMFXKPV-UHFFFAOYSA-N 1 0 239.265 3.568 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(C)o1 ZINC000623696504 369485298 /nfs/dbraw/zinc/48/52/98/369485298.db2.gz GTGXYKAVUUYEDR-UHFFFAOYSA-N 1 0 245.313 3.749 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000623698120 369498780 /nfs/dbraw/zinc/49/87/80/369498780.db2.gz MSOQCSMBXFWVTF-AXFHLTTASA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000623698121 369499187 /nfs/dbraw/zinc/49/91/87/369499187.db2.gz MSOQCSMBXFWVTF-GMTAPVOTSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000623698122 369498523 /nfs/dbraw/zinc/49/85/23/369498523.db2.gz MSOQCSMBXFWVTF-HBNTYKKESA-N 1 0 233.346 3.692 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000623698123 369499179 /nfs/dbraw/zinc/49/91/79/369499179.db2.gz MSOQCSMBXFWVTF-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO C/C=C\C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000623739049 350883282 /nfs/dbraw/zinc/88/32/82/350883282.db2.gz GRMGQZZGTQZMPJ-IHWYPQMZSA-N 1 0 247.235 3.510 20 0 BHADRO C/C=C/C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000623739050 350883580 /nfs/dbraw/zinc/88/35/80/350883580.db2.gz GRMGQZZGTQZMPJ-NSCUHMNNSA-N 1 0 247.235 3.510 20 0 BHADRO Cc1ccsc1C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000623739797 351049251 /nfs/dbraw/zinc/04/92/51/351049251.db2.gz GYGQALIQELNETF-DABQJJPHSA-N 1 0 235.396 3.582 20 0 BHADRO C/C=C\C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623739902 351049567 /nfs/dbraw/zinc/04/95/67/351049567.db2.gz JMYHYEUEQHTRJB-IHWYPQMZSA-N 1 0 235.293 3.521 20 0 BHADRO C/C=C/C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623739903 351049177 /nfs/dbraw/zinc/04/91/77/351049177.db2.gz JMYHYEUEQHTRJB-NSCUHMNNSA-N 1 0 235.293 3.521 20 0 BHADRO C/C=C\C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000623740256 371074415 /nfs/dbraw/zinc/07/44/15/371074415.db2.gz QSOPKKKJRCLTRZ-BYCRGOAPSA-N 1 0 223.747 3.609 20 0 BHADRO C/C=C\C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000623740257 371074894 /nfs/dbraw/zinc/07/48/94/371074894.db2.gz QSOPKKKJRCLTRZ-DLRQAJBASA-N 1 0 223.747 3.609 20 0 BHADRO C/C=C/C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000623740258 371074901 /nfs/dbraw/zinc/07/49/01/371074901.db2.gz QSOPKKKJRCLTRZ-PGLGOXFNSA-N 1 0 223.747 3.609 20 0 BHADRO C/C=C/C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000623740259 371075053 /nfs/dbraw/zinc/07/50/53/371075053.db2.gz QSOPKKKJRCLTRZ-UFFNRZRYSA-N 1 0 223.747 3.609 20 0 BHADRO C/C=C\C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000623740336 371075884 /nfs/dbraw/zinc/07/58/84/371075884.db2.gz SWOVLUAZGILKHL-ARJAWSKDSA-N 1 0 241.334 3.514 20 0 BHADRO C/C=C/C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000623740337 351052325 /nfs/dbraw/zinc/05/23/25/351052325.db2.gz SWOVLUAZGILKHL-ONEGZZNKSA-N 1 0 241.334 3.514 20 0 BHADRO C/C=C\C[NH2+]Cc1csc(Cl)c1Cl ZINC000623740398 371075781 /nfs/dbraw/zinc/07/57/81/371075781.db2.gz VHOQFFCMEUMYAQ-IHWYPQMZSA-N 1 0 236.167 3.721 20 0 BHADRO C/C=C/C[NH2+]Cc1csc(Cl)c1Cl ZINC000623740399 371075768 /nfs/dbraw/zinc/07/57/68/371075768.db2.gz VHOQFFCMEUMYAQ-NSCUHMNNSA-N 1 0 236.167 3.721 20 0 BHADRO C/C=C\C[NH2+]Cc1cc2ccccc2cc1OC ZINC000623740530 351054462 /nfs/dbraw/zinc/05/44/62/351054462.db2.gz ZTUWZDOYTBRFKU-ARJAWSKDSA-N 1 0 241.334 3.514 20 0 BHADRO C/C=C/C[NH2+]Cc1cc2ccccc2cc1OC ZINC000623740531 351055396 /nfs/dbraw/zinc/05/53/96/351055396.db2.gz ZTUWZDOYTBRFKU-ONEGZZNKSA-N 1 0 241.334 3.514 20 0 BHADRO Cc1sccc1C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000623740684 371076016 /nfs/dbraw/zinc/07/60/16/371076016.db2.gz BHNWUVFDXJBMOX-BTTYYORXSA-N 1 0 235.396 3.582 20 0 BHADRO C[C@]1(C[NH2+]C2CCC(F)(F)CC2)C[C@H]2C[C@H]2C1 ZINC000623741419 351278236 /nfs/dbraw/zinc/27/82/36/351278236.db2.gz PVHKYUSFQXJRMU-PJXYFTJBSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cc(C)ccc1C ZINC000623752690 355869814 /nfs/dbraw/zinc/86/98/14/355869814.db2.gz JQEWUNXCYUIHMG-DZKIICNBSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(C)ccc1C ZINC000623752691 355869865 /nfs/dbraw/zinc/86/98/65/355869865.db2.gz JQEWUNXCYUIHMG-FMKPAKJESA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cc(C)ccc1C ZINC000623752692 355869820 /nfs/dbraw/zinc/86/98/20/355869820.db2.gz JQEWUNXCYUIHMG-LZWOXQAQSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(C)ccc1C ZINC000623752693 355869866 /nfs/dbraw/zinc/86/98/66/355869866.db2.gz JQEWUNXCYUIHMG-YCPHGPKFSA-N 1 0 247.382 3.522 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CCCC2)CCCC1 ZINC000623787093 362971041 /nfs/dbraw/zinc/97/10/41/362971041.db2.gz YLTDVNOWBORAJX-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO CC1(C[NH2+]CC2(C(F)(F)F)CCCC2)CCC1 ZINC000623787164 371094195 /nfs/dbraw/zinc/09/41/95/371094195.db2.gz APQRCCYWYGNBAU-UHFFFAOYSA-N 1 0 249.320 3.889 20 0 BHADRO CC(C)(C)C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787330 371094406 /nfs/dbraw/zinc/09/44/06/371094406.db2.gz IMSBXNFBZXNYFA-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787584 371090506 /nfs/dbraw/zinc/09/05/06/371090506.db2.gz RFBODQREOOPHKU-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787585 371090349 /nfs/dbraw/zinc/09/03/49/371090349.db2.gz RFBODQREOOPHKU-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787586 371090885 /nfs/dbraw/zinc/09/08/85/371090885.db2.gz RFBODQREOOPHKU-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787587 371090498 /nfs/dbraw/zinc/09/04/98/371090498.db2.gz RFBODQREOOPHKU-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C)C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787609 371094268 /nfs/dbraw/zinc/09/42/68/371094268.db2.gz SNHXGTDOPUSLDY-JTQLQIEISA-N 1 0 237.309 3.745 20 0 BHADRO CC[C@@H](C)C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000623787610 371094413 /nfs/dbraw/zinc/09/44/13/371094413.db2.gz SNHXGTDOPUSLDY-SNVBAGLBSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000623787751 371094410 /nfs/dbraw/zinc/09/44/10/371094410.db2.gz ZUXNSPHFRXITAV-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000623787752 371093991 /nfs/dbraw/zinc/09/39/91/371093991.db2.gz ZUXNSPHFRXITAV-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000623787753 371094435 /nfs/dbraw/zinc/09/44/35/371094435.db2.gz ZUXNSPHFRXITAV-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000623787754 371094049 /nfs/dbraw/zinc/09/40/49/371094049.db2.gz ZUXNSPHFRXITAV-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1C[C@H]1C ZINC000623788246 371093862 /nfs/dbraw/zinc/09/38/62/371093862.db2.gz UBQZJGWCZULTLJ-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@H]1C[C@H]1C ZINC000623788247 371093728 /nfs/dbraw/zinc/09/37/28/371093728.db2.gz UBQZJGWCZULTLJ-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1C[C@H]1C ZINC000623788248 371094315 /nfs/dbraw/zinc/09/43/15/371094315.db2.gz UBQZJGWCZULTLJ-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@H]1C[C@H]1C ZINC000623788249 371093788 /nfs/dbraw/zinc/09/37/88/371093788.db2.gz UBQZJGWCZULTLJ-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000623819957 371109267 /nfs/dbraw/zinc/10/92/67/371109267.db2.gz APIHBYRJYBBBKY-UHFFFAOYSA-N 1 0 245.288 3.537 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000623823115 371111514 /nfs/dbraw/zinc/11/15/14/371111514.db2.gz NWXQBIFQSQYOCU-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000623823116 371111597 /nfs/dbraw/zinc/11/15/97/371111597.db2.gz NWXQBIFQSQYOCU-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO Clc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)o1 ZINC000623825090 371113082 /nfs/dbraw/zinc/11/30/82/371113082.db2.gz WPOYRTSMIPQYIT-JTQLQIEISA-N 1 0 239.746 3.603 20 0 BHADRO Clc1ccc(C[NH2+]C[C@H]2CCCC23CC3)o1 ZINC000623825091 371113117 /nfs/dbraw/zinc/11/31/17/371113117.db2.gz WPOYRTSMIPQYIT-SNVBAGLBSA-N 1 0 239.746 3.603 20 0 BHADRO FC1(F)CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000623826187 349236261 /nfs/dbraw/zinc/23/62/61/349236261.db2.gz VZBBMRMXAAHARM-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000623826188 349236321 /nfs/dbraw/zinc/23/63/21/349236321.db2.gz VZBBMRMXAAHARM-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000623848881 371125736 /nfs/dbraw/zinc/12/57/36/371125736.db2.gz NYHHEBOWQVFOKT-SSDOTTSWSA-N 1 0 247.235 3.658 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000623848882 371125759 /nfs/dbraw/zinc/12/57/59/371125759.db2.gz NYHHEBOWQVFOKT-ZETCQYMHSA-N 1 0 247.235 3.658 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(C)ccc1C ZINC000623850842 371126497 /nfs/dbraw/zinc/12/64/97/371126497.db2.gz SUDBPIBNALCNGU-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(C)ccc1C ZINC000623850843 371126542 /nfs/dbraw/zinc/12/65/42/371126542.db2.gz SUDBPIBNALCNGU-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(C)ccc1C ZINC000623850844 371127438 /nfs/dbraw/zinc/12/74/38/371127438.db2.gz SUDBPIBNALCNGU-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCO1)c1cc(C)ccc1C ZINC000623850845 371126894 /nfs/dbraw/zinc/12/68/94/371126894.db2.gz SUDBPIBNALCNGU-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623855787 371129989 /nfs/dbraw/zinc/12/99/89/371129989.db2.gz HYGWAVPKFFGUTN-LLVKDONJSA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623855788 371129309 /nfs/dbraw/zinc/12/93/09/371129309.db2.gz HYGWAVPKFFGUTN-NSHDSACASA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@H]([NH2+]CCCCOC)c1cc(C)ccc1C ZINC000623864059 371132957 /nfs/dbraw/zinc/13/29/57/371132957.db2.gz FFFXNXXISBXWGS-INIZCTEOSA-N 1 0 249.398 3.771 20 0 BHADRO CC[C@@H]([NH2+]CCCCOC)c1cc(C)ccc1C ZINC000623864060 371132989 /nfs/dbraw/zinc/13/29/89/371132989.db2.gz FFFXNXXISBXWGS-MRXNPFEDSA-N 1 0 249.398 3.771 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000623864420 371132750 /nfs/dbraw/zinc/13/27/50/371132750.db2.gz OKQUAWANUPFENX-AWEZNQCLSA-N 1 0 249.398 3.887 20 0 BHADRO COCCCC[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000623864421 371133146 /nfs/dbraw/zinc/13/31/46/371133146.db2.gz OKQUAWANUPFENX-CQSZACIVSA-N 1 0 249.398 3.887 20 0 BHADRO COCCCC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000623864555 371132427 /nfs/dbraw/zinc/13/24/27/371132427.db2.gz RWBAOAPQNPYRIG-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO COCCCC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000623864556 371132234 /nfs/dbraw/zinc/13/22/34/371132234.db2.gz RWBAOAPQNPYRIG-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623872460 371136308 /nfs/dbraw/zinc/13/63/08/371136308.db2.gz FNSVSUTULZEHGA-AXFHLTTASA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623872461 371136170 /nfs/dbraw/zinc/13/61/70/371136170.db2.gz FNSVSUTULZEHGA-DCAQKATOSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623872462 371135748 /nfs/dbraw/zinc/13/57/48/371135748.db2.gz FNSVSUTULZEHGA-GARJFASQSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623872463 371135877 /nfs/dbraw/zinc/13/58/77/371135877.db2.gz FNSVSUTULZEHGA-HBNTYKKESA-N 1 0 238.400 3.545 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCc1cccs1 ZINC000623874067 371137622 /nfs/dbraw/zinc/13/76/22/371137622.db2.gz CQIMEEPTROZGCV-CYBMUJFWSA-N 1 0 245.391 3.984 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCc1cccs1 ZINC000623874068 371137600 /nfs/dbraw/zinc/13/76/00/371137600.db2.gz CQIMEEPTROZGCV-ZDUSSCGKSA-N 1 0 245.391 3.984 20 0 BHADRO Cc1ccc(C[N@H+](C)CCc2cccs2)cc1 ZINC000623874094 371134865 /nfs/dbraw/zinc/13/48/65/371134865.db2.gz MRAYCONLWRAHPP-UHFFFAOYSA-N 1 0 245.391 3.731 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCCc2scnc21 ZINC000623874817 371136877 /nfs/dbraw/zinc/13/68/77/371136877.db2.gz QSFYGHLWVFMIKW-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCCc2scnc21 ZINC000623874818 371137483 /nfs/dbraw/zinc/13/74/83/371137483.db2.gz QSFYGHLWVFMIKW-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CCC(CC)C[NH2+][C@@H]1CCCc2scnc21 ZINC000623889063 371141730 /nfs/dbraw/zinc/14/17/30/371141730.db2.gz BSQCOMQHOKLIGN-LLVKDONJSA-N 1 0 238.400 3.546 20 0 BHADRO CCC(CC)C[NH2+][C@H]1CCCc2scnc21 ZINC000623889064 371141872 /nfs/dbraw/zinc/14/18/72/371141872.db2.gz BSQCOMQHOKLIGN-NSHDSACASA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cc(C)ccc1C ZINC000623889668 353521870 /nfs/dbraw/zinc/52/18/70/353521870.db2.gz SXIZEQKIFFNFQC-CVEARBPZSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cc(C)ccc1C ZINC000623889669 353522348 /nfs/dbraw/zinc/52/23/48/353522348.db2.gz SXIZEQKIFFNFQC-HOTGVXAUSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cc(C)ccc1C ZINC000623889670 353522405 /nfs/dbraw/zinc/52/24/05/353522405.db2.gz SXIZEQKIFFNFQC-HZPDHXFCSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]C[C@](C)(O)CC)c1cc(C)ccc1C ZINC000623889671 353522613 /nfs/dbraw/zinc/52/26/13/353522613.db2.gz SXIZEQKIFFNFQC-JKSUJKDBSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(C)ccc1C ZINC000623889874 371141289 /nfs/dbraw/zinc/14/12/89/371141289.db2.gz YKONGAHYDQHFFG-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCOC1)c1cc(C)ccc1C ZINC000623889875 371141839 /nfs/dbraw/zinc/14/18/39/371141839.db2.gz YKONGAHYDQHFFG-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCOC1)c1cc(C)ccc1C ZINC000623889876 353524781 /nfs/dbraw/zinc/52/47/81/353524781.db2.gz YKONGAHYDQHFFG-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCOC1)c1cc(C)ccc1C ZINC000623889877 353525724 /nfs/dbraw/zinc/52/57/24/353525724.db2.gz YKONGAHYDQHFFG-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@H](C)CCO)cc1 ZINC000623896412 371145279 /nfs/dbraw/zinc/14/52/79/371145279.db2.gz QEDUUNMUOQCKGE-BFHYXJOUSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@@H](C)CCO)cc1 ZINC000623896413 371145666 /nfs/dbraw/zinc/14/56/66/371145666.db2.gz QEDUUNMUOQCKGE-IHRRRGAJSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCO)cc1 ZINC000623896414 371145656 /nfs/dbraw/zinc/14/56/56/371145656.db2.gz QEDUUNMUOQCKGE-MELADBBJSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@H](C)CCO)cc1 ZINC000623896415 371145786 /nfs/dbraw/zinc/14/57/86/371145786.db2.gz QEDUUNMUOQCKGE-MJBXVCDLSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](CCO)[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000623896955 371145117 /nfs/dbraw/zinc/14/51/17/371145117.db2.gz DEZVVNIIRFERNI-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)CCO)c1cc(C)ccc1C ZINC000623896956 371145680 /nfs/dbraw/zinc/14/56/80/371145680.db2.gz DEZVVNIIRFERNI-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](CCO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623896957 371141180 /nfs/dbraw/zinc/14/11/80/371141180.db2.gz DEZVVNIIRFERNI-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](CCO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623896958 371141139 /nfs/dbraw/zinc/14/11/39/371141139.db2.gz DEZVVNIIRFERNI-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCCO)c1cc(C)ccc1C ZINC000623905222 355462122 /nfs/dbraw/zinc/46/21/22/355462122.db2.gz VGHFSYKYBIARMN-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCCO)c1cc(C)ccc1C ZINC000623905223 355462389 /nfs/dbraw/zinc/46/23/89/355462389.db2.gz VGHFSYKYBIARMN-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCCO)c1cc(C)ccc1C ZINC000623905224 355462387 /nfs/dbraw/zinc/46/23/87/355462387.db2.gz VGHFSYKYBIARMN-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCCO)c1cc(C)ccc1C ZINC000623905225 355462183 /nfs/dbraw/zinc/46/21/83/355462183.db2.gz VGHFSYKYBIARMN-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000623905306 355483227 /nfs/dbraw/zinc/48/32/27/355483227.db2.gz XUKPSUPFYSEDLP-KBPBESRZSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000623905307 355483364 /nfs/dbraw/zinc/48/33/64/355483364.db2.gz XUKPSUPFYSEDLP-KGLIPLIRSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000623905308 355483388 /nfs/dbraw/zinc/48/33/88/355483388.db2.gz XUKPSUPFYSEDLP-UONOGXRCSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000623905309 355483589 /nfs/dbraw/zinc/48/35/89/355483589.db2.gz XUKPSUPFYSEDLP-ZIAGYGMSSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]C1CC=CC1 ZINC000623906433 355736775 /nfs/dbraw/zinc/73/67/75/355736775.db2.gz WRBFIRYKQZPKKT-HNNXBMFYSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]C1CC=CC1 ZINC000623906434 355736598 /nfs/dbraw/zinc/73/65/98/355736598.db2.gz WRBFIRYKQZPKKT-OAHLLOKOSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000623907458 355774555 /nfs/dbraw/zinc/77/45/55/355774555.db2.gz WUDDRURGKPEEBC-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cc(C)ccc1C ZINC000623907459 355774843 /nfs/dbraw/zinc/77/48/43/355774843.db2.gz WUDDRURGKPEEBC-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CC[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623907460 355774610 /nfs/dbraw/zinc/77/46/10/355774610.db2.gz WUDDRURGKPEEBC-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623907461 355775145 /nfs/dbraw/zinc/77/51/45/355775145.db2.gz WUDDRURGKPEEBC-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000623907579 371149644 /nfs/dbraw/zinc/14/96/44/371149644.db2.gz ZKWIHQZRLSBNHN-BBRMVZONSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000623907580 371150083 /nfs/dbraw/zinc/15/00/83/371150083.db2.gz ZKWIHQZRLSBNHN-CJNGLKHVSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000623907581 371149787 /nfs/dbraw/zinc/14/97/87/371149787.db2.gz ZKWIHQZRLSBNHN-CZUORRHYSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000623907582 371149440 /nfs/dbraw/zinc/14/94/40/371149440.db2.gz ZKWIHQZRLSBNHN-XJKSGUPXSA-N 1 0 249.398 3.622 20 0 BHADRO Cc1cccc([C@@H]([NH2+][C@@H]2CCSC2)C(C)C)c1 ZINC000623917904 371154575 /nfs/dbraw/zinc/15/45/75/371154575.db2.gz BOUUGCJQLOGEIA-CABCVRRESA-N 1 0 249.423 3.787 20 0 BHADRO Cc1cccc([C@@H]([NH2+][C@H]2CCSC2)C(C)C)c1 ZINC000623917905 371154018 /nfs/dbraw/zinc/15/40/18/371154018.db2.gz BOUUGCJQLOGEIA-GJZGRUSLSA-N 1 0 249.423 3.787 20 0 BHADRO Cc1cccc([C@H]([NH2+][C@@H]2CCSC2)C(C)C)c1 ZINC000623917906 371154301 /nfs/dbraw/zinc/15/43/01/371154301.db2.gz BOUUGCJQLOGEIA-HUUCEWRRSA-N 1 0 249.423 3.787 20 0 BHADRO Cc1cccc([C@H]([NH2+][C@H]2CCSC2)C(C)C)c1 ZINC000623917907 371153920 /nfs/dbraw/zinc/15/39/20/371153920.db2.gz BOUUGCJQLOGEIA-LSDHHAIUSA-N 1 0 249.423 3.787 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC1)c1cc(C)ccc1C ZINC000623918452 371154359 /nfs/dbraw/zinc/15/43/59/371154359.db2.gz RNLDPTVZJFTYMS-DZGCQCFKSA-N 1 0 249.423 3.850 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC1)c1cc(C)ccc1C ZINC000623918453 371153958 /nfs/dbraw/zinc/15/39/58/371153958.db2.gz RNLDPTVZJFTYMS-HIFRSBDPSA-N 1 0 249.423 3.850 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cc(C)ccc1C ZINC000623918454 371154113 /nfs/dbraw/zinc/15/41/13/371154113.db2.gz RNLDPTVZJFTYMS-UKRRQHHQSA-N 1 0 249.423 3.850 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC1)c1cc(C)ccc1C ZINC000623918455 371154589 /nfs/dbraw/zinc/15/45/89/371154589.db2.gz RNLDPTVZJFTYMS-ZFWWWQNUSA-N 1 0 249.423 3.850 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H]2CCSC2)c1 ZINC000623918472 371153997 /nfs/dbraw/zinc/15/39/97/371153997.db2.gz RYASRJVWLKYEDJ-DOMZBBRYSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H]2CCSC2)c1 ZINC000623918473 371154550 /nfs/dbraw/zinc/15/45/50/371154550.db2.gz RYASRJVWLKYEDJ-IUODEOHRSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CCSC2)c1 ZINC000623918474 371154098 /nfs/dbraw/zinc/15/40/98/371154098.db2.gz RYASRJVWLKYEDJ-SWLSCSKDSA-N 1 0 249.423 3.966 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H]2CCSC2)c1 ZINC000623918475 371154212 /nfs/dbraw/zinc/15/42/12/371154212.db2.gz RYASRJVWLKYEDJ-WFASDCNBSA-N 1 0 249.423 3.966 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623918517 371154002 /nfs/dbraw/zinc/15/40/02/371154002.db2.gz UEHAMLDUNHGPCJ-HOSYDEDBSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623918518 371154594 /nfs/dbraw/zinc/15/45/94/371154594.db2.gz UEHAMLDUNHGPCJ-JBLDHEPKSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623918519 371153902 /nfs/dbraw/zinc/15/39/02/371153902.db2.gz UEHAMLDUNHGPCJ-NHCYSSNCSA-N 1 0 240.416 3.927 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623918520 371153943 /nfs/dbraw/zinc/15/39/43/371153943.db2.gz UEHAMLDUNHGPCJ-UMNHJUIQSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC2(C(C)C)CC2)n1 ZINC000623919708 491103420 /nfs/dbraw/zinc/10/34/20/491103420.db2.gz MIWBNBUESHSRQZ-LLVKDONJSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC2(C(C)C)CC2)n1 ZINC000623919709 371154429 /nfs/dbraw/zinc/15/44/29/371154429.db2.gz MIWBNBUESHSRQZ-NSHDSACASA-N 1 0 238.400 3.538 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623920500 356713929 /nfs/dbraw/zinc/71/39/29/356713929.db2.gz OBDGUZOGRWSOFB-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623920501 356714022 /nfs/dbraw/zinc/71/40/22/356714022.db2.gz OBDGUZOGRWSOFB-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1cc(C)ccc1C ZINC000623920919 388741805 /nfs/dbraw/zinc/74/18/05/388741805.db2.gz CBXVMKNITARSQO-AWEZNQCLSA-N 1 0 223.335 3.704 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1cc(C)ccc1C ZINC000623920920 388741796 /nfs/dbraw/zinc/74/17/96/388741796.db2.gz CBXVMKNITARSQO-CQSZACIVSA-N 1 0 223.335 3.704 20 0 BHADRO Cc1cccc([C@@H]([NH2+]CCCF)C(C)C)c1 ZINC000623920935 388741696 /nfs/dbraw/zinc/74/16/96/388741696.db2.gz DBPISIUTUZSMEU-AWEZNQCLSA-N 1 0 223.335 3.641 20 0 BHADRO Cc1cccc([C@H]([NH2+]CCCF)C(C)C)c1 ZINC000623920936 388741658 /nfs/dbraw/zinc/74/16/58/388741658.db2.gz DBPISIUTUZSMEU-CQSZACIVSA-N 1 0 223.335 3.641 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623923870 371157793 /nfs/dbraw/zinc/15/77/93/371157793.db2.gz NBXHYJQMAHLGTQ-GHMZBOCLSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623923871 371157684 /nfs/dbraw/zinc/15/76/84/371157684.db2.gz NBXHYJQMAHLGTQ-MNOVXSKESA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623923872 371158205 /nfs/dbraw/zinc/15/82/05/371158205.db2.gz NBXHYJQMAHLGTQ-QWRGUYRKSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623923873 371157897 /nfs/dbraw/zinc/15/78/97/371157897.db2.gz NBXHYJQMAHLGTQ-WDEREUQCSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000623923908 356785519 /nfs/dbraw/zinc/78/55/19/356785519.db2.gz OAJRHRKPDFLJFX-HEHGZKQESA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000623923909 356785434 /nfs/dbraw/zinc/78/54/34/356785434.db2.gz OAJRHRKPDFLJFX-WOSRLPQWSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1 ZINC000623923910 356786189 /nfs/dbraw/zinc/78/61/89/356786189.db2.gz OAJRHRKPDFLJFX-XEZPLFJOSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1 ZINC000623923911 356785873 /nfs/dbraw/zinc/78/58/73/356785873.db2.gz OAJRHRKPDFLJFX-ZENOOKHLSA-N 1 0 247.382 3.640 20 0 BHADRO CCc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623929841 371158961 /nfs/dbraw/zinc/15/89/61/371158961.db2.gz WOBFSOSZJDTNHA-HNNXBMFYSA-N 1 0 246.398 3.534 20 0 BHADRO CCc1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623929842 371158939 /nfs/dbraw/zinc/15/89/39/371158939.db2.gz WOBFSOSZJDTNHA-OAHLLOKOSA-N 1 0 246.398 3.534 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(C)ccc1C ZINC000623933561 371163169 /nfs/dbraw/zinc/16/31/69/371163169.db2.gz JNSCLLCUXGSDIP-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1cc(C)ccc1C ZINC000623933562 371163099 /nfs/dbraw/zinc/16/30/99/371163099.db2.gz JNSCLLCUXGSDIP-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(C)ccc1C ZINC000623933563 371163033 /nfs/dbraw/zinc/16/30/33/371163033.db2.gz JNSCLLCUXGSDIP-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(C)ccc1C ZINC000623933564 371163118 /nfs/dbraw/zinc/16/31/18/371163118.db2.gz JNSCLLCUXGSDIP-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1 ZINC000623933934 356935440 /nfs/dbraw/zinc/93/54/40/356935440.db2.gz XLDNBNLJWZJYPG-CHWSQXEVSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000623933935 356935787 /nfs/dbraw/zinc/93/57/87/356935787.db2.gz XLDNBNLJWZJYPG-OLZOCXBDSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1 ZINC000623933936 356936436 /nfs/dbraw/zinc/93/64/36/356936436.db2.gz XLDNBNLJWZJYPG-QWHCGFSZSA-N 1 0 249.398 3.620 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000623933937 356936582 /nfs/dbraw/zinc/93/65/82/356936582.db2.gz XLDNBNLJWZJYPG-STQMWFEESA-N 1 0 249.398 3.620 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(C)ccc1C ZINC000623958501 371197514 /nfs/dbraw/zinc/19/75/14/371197514.db2.gz OWTVEDGVEHLFLG-DZKIICNBSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cc(C)ccc1C ZINC000623958502 371197052 /nfs/dbraw/zinc/19/70/52/371197052.db2.gz OWTVEDGVEHLFLG-FMKPAKJESA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cc(C)ccc1C ZINC000623958503 371197550 /nfs/dbraw/zinc/19/75/50/371197550.db2.gz OWTVEDGVEHLFLG-LZWOXQAQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cc(C)ccc1C ZINC000623958504 371197884 /nfs/dbraw/zinc/19/78/84/371197884.db2.gz OWTVEDGVEHLFLG-YCPHGPKFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)O)c1cc(C)ccc1C ZINC000623963558 356474164 /nfs/dbraw/zinc/47/41/64/356474164.db2.gz JSTVPPZQGPIQPS-HNNXBMFYSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)O)c1cc(C)ccc1C ZINC000623963559 356473932 /nfs/dbraw/zinc/47/39/32/356473932.db2.gz JSTVPPZQGPIQPS-OAHLLOKOSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CC(C)(C)C(C)C)n1 ZINC000623966597 398314962 /nfs/dbraw/zinc/31/49/62/398314962.db2.gz XRARTBUXJAGPEC-LLVKDONJSA-N 1 0 240.416 3.784 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CC(C)(C)C(C)C)n1 ZINC000623966598 398315168 /nfs/dbraw/zinc/31/51/68/398315168.db2.gz XRARTBUXJAGPEC-NSHDSACASA-N 1 0 240.416 3.784 20 0 BHADRO CCC(C)(C)C[NH2+][C@H]1CCCc2scnc21 ZINC000623970127 371206863 /nfs/dbraw/zinc/20/68/63/371206863.db2.gz FGORRBBHMAEYEZ-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H]1CCCc2scnc21 ZINC000623970128 371206433 /nfs/dbraw/zinc/20/64/33/371206433.db2.gz FGORRBBHMAEYEZ-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@H](C)c1ccc([C@H](C)[NH2+]CCCCO)cc1 ZINC000623972186 371207913 /nfs/dbraw/zinc/20/79/13/371207913.db2.gz URZHDBCNPMDZFG-KBPBESRZSA-N 1 0 249.398 3.623 20 0 BHADRO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCCCO)cc1 ZINC000623972187 371207468 /nfs/dbraw/zinc/20/74/68/371207468.db2.gz URZHDBCNPMDZFG-KGLIPLIRSA-N 1 0 249.398 3.623 20 0 BHADRO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCCCO)cc1 ZINC000623972188 371207788 /nfs/dbraw/zinc/20/77/88/371207788.db2.gz URZHDBCNPMDZFG-UONOGXRCSA-N 1 0 249.398 3.623 20 0 BHADRO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCCCO)cc1 ZINC000623972189 371207449 /nfs/dbraw/zinc/20/74/49/371207449.db2.gz URZHDBCNPMDZFG-ZIAGYGMSSA-N 1 0 249.398 3.623 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000623973052 371207590 /nfs/dbraw/zinc/20/75/90/371207590.db2.gz GOOGAELLKFLQKD-KBPBESRZSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000623973053 371207718 /nfs/dbraw/zinc/20/77/18/371207718.db2.gz GOOGAELLKFLQKD-KGLIPLIRSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000623973054 371207909 /nfs/dbraw/zinc/20/79/09/371207909.db2.gz GOOGAELLKFLQKD-UONOGXRCSA-N 1 0 249.398 3.622 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000623973055 371207894 /nfs/dbraw/zinc/20/78/94/371207894.db2.gz GOOGAELLKFLQKD-ZIAGYGMSSA-N 1 0 249.398 3.622 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cc(C)ccc1C ZINC000623973310 371208062 /nfs/dbraw/zinc/20/80/62/371208062.db2.gz MQYMGUFSRFYEGZ-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@H](C)O)c1cc(C)ccc1C ZINC000623973311 371208190 /nfs/dbraw/zinc/20/81/90/371208190.db2.gz MQYMGUFSRFYEGZ-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]CCC[C@H](C)O)c1cc(C)ccc1C ZINC000623973312 371207671 /nfs/dbraw/zinc/20/76/71/371207671.db2.gz MQYMGUFSRFYEGZ-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]CCC[C@@H](C)O)c1cc(C)ccc1C ZINC000623973313 371207764 /nfs/dbraw/zinc/20/77/64/371207764.db2.gz MQYMGUFSRFYEGZ-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC[C@H]([NH2+]CCCCCO)c1cc(C)ccc1C ZINC000623974665 356810356 /nfs/dbraw/zinc/81/03/56/356810356.db2.gz LNXCVEGCCAXXCE-INIZCTEOSA-N 1 0 249.398 3.507 20 0 BHADRO CC[C@@H]([NH2+]CCCCCO)c1cc(C)ccc1C ZINC000623974666 356810502 /nfs/dbraw/zinc/81/05/02/356810502.db2.gz LNXCVEGCCAXXCE-MRXNPFEDSA-N 1 0 249.398 3.507 20 0 BHADRO CC(C)c1cccc([C@H](C)[NH2+]CCCCCO)c1 ZINC000623974820 371209686 /nfs/dbraw/zinc/20/96/86/371209686.db2.gz QTNLUBLXQAHJJF-AWEZNQCLSA-N 1 0 249.398 3.623 20 0 BHADRO CC(C)c1cccc([C@@H](C)[NH2+]CCCCCO)c1 ZINC000623974821 371209517 /nfs/dbraw/zinc/20/95/17/371209517.db2.gz QTNLUBLXQAHJJF-CQSZACIVSA-N 1 0 249.398 3.623 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)n1 ZINC000623976529 371211884 /nfs/dbraw/zinc/21/18/84/371211884.db2.gz MUKQBVFYGSNRNS-ADEWGFFLSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)n1 ZINC000623976530 371212278 /nfs/dbraw/zinc/21/22/78/371212278.db2.gz MUKQBVFYGSNRNS-DLOVCJGASA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)n1 ZINC000623976531 371212110 /nfs/dbraw/zinc/21/21/10/371212110.db2.gz MUKQBVFYGSNRNS-USWWRNFRSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)n1 ZINC000623976532 371211876 /nfs/dbraw/zinc/21/18/76/371211876.db2.gz MUKQBVFYGSNRNS-ZMLRMANQSA-N 1 0 238.400 3.538 20 0 BHADRO CCC[C@@H]([NH2+]CCF)c1cc(C)sc1C ZINC000623977088 371212162 /nfs/dbraw/zinc/21/21/62/371212162.db2.gz GGNBUBQBHLRIKZ-GFCCVEGCSA-N 1 0 229.364 3.765 20 0 BHADRO CCC[C@H]([NH2+]CCF)c1cc(C)sc1C ZINC000623977089 371212228 /nfs/dbraw/zinc/21/22/28/371212228.db2.gz GGNBUBQBHLRIKZ-LBPRGKRZSA-N 1 0 229.364 3.765 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)n1 ZINC000623978410 371213010 /nfs/dbraw/zinc/21/30/10/371213010.db2.gz SHEMMIFEKZVYKL-ADEWGFFLSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)n1 ZINC000623978411 371212934 /nfs/dbraw/zinc/21/29/34/371212934.db2.gz SHEMMIFEKZVYKL-DLOVCJGASA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)n1 ZINC000623978412 371213055 /nfs/dbraw/zinc/21/30/55/371213055.db2.gz SHEMMIFEKZVYKL-USWWRNFRSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)n1 ZINC000623978413 371213285 /nfs/dbraw/zinc/21/32/85/371213285.db2.gz SHEMMIFEKZVYKL-ZMLRMANQSA-N 1 0 238.400 3.538 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]CCCCF ZINC000623987139 371219307 /nfs/dbraw/zinc/21/93/07/371219307.db2.gz QERWFLUNPOBWQT-HNNXBMFYSA-N 1 0 237.362 3.737 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]CCCCF ZINC000623987140 371219912 /nfs/dbraw/zinc/21/99/12/371219912.db2.gz QERWFLUNPOBWQT-OAHLLOKOSA-N 1 0 237.362 3.737 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]CC[C@H](C)F ZINC000623990119 371223524 /nfs/dbraw/zinc/22/35/24/371223524.db2.gz UCJHSVZGGAZBFV-DZGCQCFKSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000623990120 371223736 /nfs/dbraw/zinc/22/37/36/371223736.db2.gz UCJHSVZGGAZBFV-HIFRSBDPSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000623990121 371223431 /nfs/dbraw/zinc/22/34/31/371223431.db2.gz UCJHSVZGGAZBFV-UKRRQHHQSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]CC[C@H](C)F ZINC000623990122 371223087 /nfs/dbraw/zinc/22/30/87/371223087.db2.gz UCJHSVZGGAZBFV-ZFWWWQNUSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+]CC(C)(F)F ZINC000623990284 359619773 /nfs/dbraw/zinc/61/97/73/359619773.db2.gz ZDNBJMUCPAJZLL-CYBMUJFWSA-N 1 0 241.325 3.643 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+]CC(C)(F)F ZINC000623990285 359619807 /nfs/dbraw/zinc/61/98/07/359619807.db2.gz ZDNBJMUCPAJZLL-ZDUSSCGKSA-N 1 0 241.325 3.643 20 0 BHADRO c1nc2c(s1)CCC[C@H]2[NH2+]CC1=CCCCC1 ZINC000623990368 371224111 /nfs/dbraw/zinc/22/41/11/371224111.db2.gz AJPXIJCQDWTABB-GFCCVEGCSA-N 1 0 248.395 3.611 20 0 BHADRO c1nc2c(s1)CCC[C@@H]2[NH2+]CC1=CCCCC1 ZINC000623990369 371224419 /nfs/dbraw/zinc/22/44/19/371224419.db2.gz AJPXIJCQDWTABB-LBPRGKRZSA-N 1 0 248.395 3.611 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCC(C)(F)F)n1 ZINC000623991072 371224681 /nfs/dbraw/zinc/22/46/81/371224681.db2.gz XJARZXZFUQXQSZ-SECBINFHSA-N 1 0 248.342 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCC(C)(F)F)n1 ZINC000623991073 371224487 /nfs/dbraw/zinc/22/44/87/371224487.db2.gz XJARZXZFUQXQSZ-VIFPVBQESA-N 1 0 248.342 3.538 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1cc(C)ccc1C)[C@@H](C)O ZINC000623995411 370686789 /nfs/dbraw/zinc/68/67/89/370686789.db2.gz XVNNCGMYAUVQBB-BMFZPTHFSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cc(C)ccc1C ZINC000623995412 370686966 /nfs/dbraw/zinc/68/69/66/370686966.db2.gz XVNNCGMYAUVQBB-BPUTZDHNSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)c1cc(C)ccc1C)[C@H](C)O ZINC000623995413 370686912 /nfs/dbraw/zinc/68/69/12/370686912.db2.gz XVNNCGMYAUVQBB-IMJJTQAJSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cc(C)ccc1C ZINC000623995414 370687033 /nfs/dbraw/zinc/68/70/33/370687033.db2.gz XVNNCGMYAUVQBB-KBMXLJTQSA-N 1 0 249.398 3.504 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)n1 ZINC000623999254 362958784 /nfs/dbraw/zinc/95/87/84/362958784.db2.gz PBGNBRIFBHVMKV-IJLUTSLNSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)n1 ZINC000623999255 362958236 /nfs/dbraw/zinc/95/82/36/362958236.db2.gz PBGNBRIFBHVMKV-QJPTWQEYSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000624000345 371232194 /nfs/dbraw/zinc/23/21/94/371232194.db2.gz YCFFRXJHTQQMKH-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000624000346 371232570 /nfs/dbraw/zinc/23/25/70/371232570.db2.gz YCFFRXJHTQQMKH-FVQBIDKESA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000624000347 371232584 /nfs/dbraw/zinc/23/25/84/371232584.db2.gz YCFFRXJHTQQMKH-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000624000348 371232573 /nfs/dbraw/zinc/23/25/73/371232573.db2.gz YCFFRXJHTQQMKH-NUEKZKHPSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000624003699 371240201 /nfs/dbraw/zinc/24/02/01/371240201.db2.gz HAOJLAPZUNJHPS-CABCVRRESA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CC2 ZINC000624003700 371240089 /nfs/dbraw/zinc/24/00/89/371240089.db2.gz HAOJLAPZUNJHPS-GJZGRUSLSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000624003701 371240642 /nfs/dbraw/zinc/24/06/42/371240642.db2.gz HAOJLAPZUNJHPS-HUUCEWRRSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC2 ZINC000624003702 371240243 /nfs/dbraw/zinc/24/02/43/371240243.db2.gz HAOJLAPZUNJHPS-LSDHHAIUSA-N 1 0 229.367 3.540 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cc(C)ccc1C ZINC000624003965 371240536 /nfs/dbraw/zinc/24/05/36/371240536.db2.gz QFONGDSVGYFPLT-CABCVRRESA-N 1 0 229.367 3.897 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cc(C)ccc1C ZINC000624003966 371240543 /nfs/dbraw/zinc/24/05/43/371240543.db2.gz QFONGDSVGYFPLT-GJZGRUSLSA-N 1 0 229.367 3.897 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(C)ccc1C ZINC000624003967 371240209 /nfs/dbraw/zinc/24/02/09/371240209.db2.gz QFONGDSVGYFPLT-HUUCEWRRSA-N 1 0 229.367 3.897 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cc(C)ccc1C ZINC000624003968 371240129 /nfs/dbraw/zinc/24/01/29/371240129.db2.gz QFONGDSVGYFPLT-LSDHHAIUSA-N 1 0 229.367 3.897 20 0 BHADRO Cc1cccc([C@@H]([NH2+][C@@H]2CC23CC3)C(C)C)c1 ZINC000624004010 363520400 /nfs/dbraw/zinc/52/04/00/363520400.db2.gz RXPDSQPIGLFWPD-CABCVRRESA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cccc([C@@H]([NH2+][C@H]2CC23CC3)C(C)C)c1 ZINC000624004011 363520500 /nfs/dbraw/zinc/52/05/00/363520500.db2.gz RXPDSQPIGLFWPD-GJZGRUSLSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cccc([C@H]([NH2+][C@@H]2CC23CC3)C(C)C)c1 ZINC000624004012 363520447 /nfs/dbraw/zinc/52/04/47/363520447.db2.gz RXPDSQPIGLFWPD-HUUCEWRRSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1cccc([C@H]([NH2+][C@H]2CC23CC3)C(C)C)c1 ZINC000624004013 363519773 /nfs/dbraw/zinc/51/97/73/363519773.db2.gz RXPDSQPIGLFWPD-LSDHHAIUSA-N 1 0 229.367 3.834 20 0 BHADRO CC[C@@H](C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000624004640 371242300 /nfs/dbraw/zinc/24/23/00/371242300.db2.gz OAJRHRKPDFLJFX-DVOMOZLQSA-N 1 0 247.382 3.640 20 0 BHADRO CC[C@@H](C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000624004641 371241888 /nfs/dbraw/zinc/24/18/88/371241888.db2.gz OAJRHRKPDFLJFX-XJKCOSOUSA-N 1 0 247.382 3.640 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2scnc21)C(C)(C)C ZINC000624008283 371245000 /nfs/dbraw/zinc/24/50/00/371245000.db2.gz SGNRIMVKGORPES-NXEZZACHSA-N 1 0 238.400 3.545 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2scnc21)C(C)(C)C ZINC000624008284 371244475 /nfs/dbraw/zinc/24/44/75/371244475.db2.gz SGNRIMVKGORPES-ZJUUUORDSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)n1 ZINC000624008347 371242901 /nfs/dbraw/zinc/24/29/01/371242901.db2.gz VIJYFQWWINQKJC-NXEZZACHSA-N 1 0 226.389 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C)C(C)(C)C)n1 ZINC000624008348 371242586 /nfs/dbraw/zinc/24/25/86/371242586.db2.gz VIJYFQWWINQKJC-VHSXEESVSA-N 1 0 226.389 3.537 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H]1CCCc2scnc21 ZINC000624011458 371247532 /nfs/dbraw/zinc/24/75/32/371247532.db2.gz APLHCDULZLEYGI-GHMZBOCLSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H]1CCCc2scnc21 ZINC000624011459 371247185 /nfs/dbraw/zinc/24/71/85/371247185.db2.gz APLHCDULZLEYGI-MNOVXSKESA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H]1CCCc2scnc21 ZINC000624011460 371247282 /nfs/dbraw/zinc/24/72/82/371247282.db2.gz APLHCDULZLEYGI-QWRGUYRKSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H]1CCCc2scnc21 ZINC000624011461 371247396 /nfs/dbraw/zinc/24/73/96/371247396.db2.gz APLHCDULZLEYGI-WDEREUQCSA-N 1 0 238.400 3.546 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000624011621 371247291 /nfs/dbraw/zinc/24/72/91/371247291.db2.gz DYZFOGBTXUBVOX-GHMZBOCLSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000624011622 371247647 /nfs/dbraw/zinc/24/76/47/371247647.db2.gz DYZFOGBTXUBVOX-MNOVXSKESA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000624011623 371247611 /nfs/dbraw/zinc/24/76/11/371247611.db2.gz DYZFOGBTXUBVOX-QWRGUYRKSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000624011624 371247545 /nfs/dbraw/zinc/24/75/45/371247545.db2.gz DYZFOGBTXUBVOX-WDEREUQCSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)n1 ZINC000624015424 371249818 /nfs/dbraw/zinc/24/98/18/371249818.db2.gz XDRPTFNTWIYCNT-CMPLNLGQSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)n1 ZINC000624015425 371250467 /nfs/dbraw/zinc/25/04/67/371250467.db2.gz XDRPTFNTWIYCNT-JQWIXIFHSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)n1 ZINC000624015426 371250286 /nfs/dbraw/zinc/25/02/86/371250286.db2.gz XDRPTFNTWIYCNT-PWSUYJOCSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)n1 ZINC000624015427 371249965 /nfs/dbraw/zinc/24/99/65/371249965.db2.gz XDRPTFNTWIYCNT-ZYHUDNBSSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C2(CC(C)C)CC2)n1 ZINC000624016512 371251468 /nfs/dbraw/zinc/25/14/68/371251468.db2.gz YQZMENZCGNHTMU-LLVKDONJSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C2(CC(C)C)CC2)n1 ZINC000624016513 371252370 /nfs/dbraw/zinc/25/23/70/371252370.db2.gz YQZMENZCGNHTMU-NSHDSACASA-N 1 0 238.400 3.681 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CCCC1(C)C ZINC000624027328 371258026 /nfs/dbraw/zinc/25/80/26/371258026.db2.gz QCPDZYHSTZADDV-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@@H]1CCCC1(C)C ZINC000624027329 371258417 /nfs/dbraw/zinc/25/84/17/371258417.db2.gz QCPDZYHSTZADDV-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@H](C)[NH2+]CC[C@H]1CCCC1(C)C ZINC000624027330 371258355 /nfs/dbraw/zinc/25/83/55/371258355.db2.gz QCPDZYHSTZADDV-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC[C@@H](C)[NH2+]CC[C@H]1CCCC1(C)C ZINC000624027331 371258599 /nfs/dbraw/zinc/25/85/99/371258599.db2.gz QCPDZYHSTZADDV-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000624032999 385716642 /nfs/dbraw/zinc/71/66/42/385716642.db2.gz OPOYTCSZQSMMSG-KKOKHZNYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000624033000 385717737 /nfs/dbraw/zinc/71/77/37/385717737.db2.gz OPOYTCSZQSMMSG-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(C)(C)C(F)F ZINC000624033319 371260908 /nfs/dbraw/zinc/26/09/08/371260908.db2.gz BLIFURAGZQIRND-QCNOEVLYSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(C)(C)C(F)F ZINC000624033321 371261632 /nfs/dbraw/zinc/26/16/32/371261632.db2.gz BLIFURAGZQIRND-WHOHXGKFSA-N 1 0 245.357 3.692 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035821 371264116 /nfs/dbraw/zinc/26/41/16/371264116.db2.gz PSDQYTNDAOMCOL-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035822 371263848 /nfs/dbraw/zinc/26/38/48/371263848.db2.gz PSDQYTNDAOMCOL-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035823 371264064 /nfs/dbraw/zinc/26/40/64/371264064.db2.gz PSDQYTNDAOMCOL-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035824 371263751 /nfs/dbraw/zinc/26/37/51/371263751.db2.gz PSDQYTNDAOMCOL-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035906 371259303 /nfs/dbraw/zinc/25/93/03/371259303.db2.gz UCKCVRNPTSSWLO-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035907 371259451 /nfs/dbraw/zinc/25/94/51/371259451.db2.gz UCKCVRNPTSSWLO-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035908 371259987 /nfs/dbraw/zinc/25/99/87/371259987.db2.gz UCKCVRNPTSSWLO-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035909 371260194 /nfs/dbraw/zinc/26/01/94/371260194.db2.gz UCKCVRNPTSSWLO-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035945 371263947 /nfs/dbraw/zinc/26/39/47/371263947.db2.gz WGDUGAHEIVNIJK-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035946 371264207 /nfs/dbraw/zinc/26/42/07/371264207.db2.gz WGDUGAHEIVNIJK-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624035947 371264007 /nfs/dbraw/zinc/26/40/07/371264007.db2.gz WGDUGAHEIVNIJK-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624035948 371263903 /nfs/dbraw/zinc/26/39/03/371263903.db2.gz WGDUGAHEIVNIJK-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035983 371263687 /nfs/dbraw/zinc/26/36/87/371263687.db2.gz XWKPTMMXKLSWTN-CABCVRRESA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035984 371264183 /nfs/dbraw/zinc/26/41/83/371264183.db2.gz XWKPTMMXKLSWTN-GJZGRUSLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624035985 371264202 /nfs/dbraw/zinc/26/42/02/371264202.db2.gz XWKPTMMXKLSWTN-HUUCEWRRSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624035986 371263538 /nfs/dbraw/zinc/26/35/38/371263538.db2.gz XWKPTMMXKLSWTN-LSDHHAIUSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624036940 350038637 /nfs/dbraw/zinc/03/86/37/350038637.db2.gz FHYHNZBYVKYQOZ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624036941 350038513 /nfs/dbraw/zinc/03/85/13/350038513.db2.gz FHYHNZBYVKYQOZ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCOC1 ZINC000624036942 350038383 /nfs/dbraw/zinc/03/83/83/350038383.db2.gz FHYHNZBYVKYQOZ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCOC1 ZINC000624036943 350038450 /nfs/dbraw/zinc/03/84/50/350038450.db2.gz FHYHNZBYVKYQOZ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624037091 350047929 /nfs/dbraw/zinc/04/79/29/350047929.db2.gz LQPJOKMFKCJJTD-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624037092 350047904 /nfs/dbraw/zinc/04/79/04/350047904.db2.gz LQPJOKMFKCJJTD-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624037093 350047551 /nfs/dbraw/zinc/04/75/51/350047551.db2.gz LQPJOKMFKCJJTD-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624037094 350048042 /nfs/dbraw/zinc/04/80/42/350048042.db2.gz LQPJOKMFKCJJTD-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624046857 371272222 /nfs/dbraw/zinc/27/22/22/371272222.db2.gz NUVURQHJDUHCLR-AAEUAGOBSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000624046858 371271838 /nfs/dbraw/zinc/27/18/38/371271838.db2.gz NUVURQHJDUHCLR-DGCLKSJQSA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000624046859 371272306 /nfs/dbraw/zinc/27/23/06/371272306.db2.gz NUVURQHJDUHCLR-WCQYABFASA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624046860 371272413 /nfs/dbraw/zinc/27/24/13/371272413.db2.gz NUVURQHJDUHCLR-YPMHNXCESA-N 1 0 238.400 3.592 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccns2)c1C ZINC000624047667 371272151 /nfs/dbraw/zinc/27/21/51/371272151.db2.gz KIOIEZAZEYWVCV-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2ccns2)c1C ZINC000624047668 371272189 /nfs/dbraw/zinc/27/21/89/371272189.db2.gz KIOIEZAZEYWVCV-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624047985 371273406 /nfs/dbraw/zinc/27/34/06/371273406.db2.gz YPCKHCYOTUXJMG-AAEUAGOBSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccns1 ZINC000624047986 371273454 /nfs/dbraw/zinc/27/34/54/371273454.db2.gz YPCKHCYOTUXJMG-DGCLKSJQSA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccns1 ZINC000624047987 371273177 /nfs/dbraw/zinc/27/31/77/371273177.db2.gz YPCKHCYOTUXJMG-WCQYABFASA-N 1 0 238.400 3.592 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624047988 371273391 /nfs/dbraw/zinc/27/33/91/371273391.db2.gz YPCKHCYOTUXJMG-YPMHNXCESA-N 1 0 238.400 3.592 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1cccs1)OCC ZINC000624048075 342770966 /nfs/dbraw/zinc/77/09/66/342770966.db2.gz BCYFIBWSYQJIEI-NEPJUHHUSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1cccs1)OCC ZINC000624048076 342770887 /nfs/dbraw/zinc/77/08/87/342770887.db2.gz BCYFIBWSYQJIEI-NWDGAFQWSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1cccs1)OCC ZINC000624048077 342770854 /nfs/dbraw/zinc/77/08/54/342770854.db2.gz BCYFIBWSYQJIEI-RYUDHWBXSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1cccs1)OCC ZINC000624048078 342770777 /nfs/dbraw/zinc/77/07/77/342770777.db2.gz BCYFIBWSYQJIEI-VXGBXAGGSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccsc1)OCC ZINC000624048274 342794439 /nfs/dbraw/zinc/79/44/39/342794439.db2.gz HLGYRYYUWHIRHJ-AAEUAGOBSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccsc1)OCC ZINC000624048275 342794171 /nfs/dbraw/zinc/79/41/71/342794171.db2.gz HLGYRYYUWHIRHJ-DGCLKSJQSA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccsc1)OCC ZINC000624048276 342794236 /nfs/dbraw/zinc/79/42/36/342794236.db2.gz HLGYRYYUWHIRHJ-WCQYABFASA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccsc1)OCC ZINC000624048277 342794244 /nfs/dbraw/zinc/79/42/44/342794244.db2.gz HLGYRYYUWHIRHJ-YPMHNXCESA-N 1 0 241.400 3.604 20 0 BHADRO CCC[C@H](C[NH2+][C@@H](C)c1ccccc1)OCC ZINC000624048807 371273676 /nfs/dbraw/zinc/27/36/76/371273676.db2.gz WJBIKXKTYZLRHT-DZGCQCFKSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@H](C)c1ccccc1)OCC ZINC000624048808 371273332 /nfs/dbraw/zinc/27/33/32/371273332.db2.gz WJBIKXKTYZLRHT-HIFRSBDPSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@H](C[NH2+][C@H](C)c1ccccc1)OCC ZINC000624048809 371273890 /nfs/dbraw/zinc/27/38/90/371273890.db2.gz WJBIKXKTYZLRHT-UKRRQHHQSA-N 1 0 235.371 3.542 20 0 BHADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccccc1)OCC ZINC000624048810 371273807 /nfs/dbraw/zinc/27/38/07/371273807.db2.gz WJBIKXKTYZLRHT-ZFWWWQNUSA-N 1 0 235.371 3.542 20 0 BHADRO CC(C)[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000624062258 371287190 /nfs/dbraw/zinc/28/71/90/371287190.db2.gz XSDUHORKGVHXSM-GFCCVEGCSA-N 1 0 239.309 3.553 20 0 BHADRO CC(C)[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000624062259 371287365 /nfs/dbraw/zinc/28/73/65/371287365.db2.gz XSDUHORKGVHXSM-LBPRGKRZSA-N 1 0 239.309 3.553 20 0 BHADRO C1CC12CCC[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000624067419 344440655 /nfs/dbraw/zinc/44/06/55/344440655.db2.gz WADVNCXXWQEBTN-CHWSQXEVSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000624067420 344440746 /nfs/dbraw/zinc/44/07/46/344440746.db2.gz WADVNCXXWQEBTN-OLZOCXBDSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000624067421 344440580 /nfs/dbraw/zinc/44/05/80/344440580.db2.gz WADVNCXXWQEBTN-QWHCGFSZSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC12CCC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000624067422 344440767 /nfs/dbraw/zinc/44/07/67/344440767.db2.gz WADVNCXXWQEBTN-STQMWFEESA-N 1 0 219.372 3.632 20 0 BHADRO C1=CCC(C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000624075536 371293691 /nfs/dbraw/zinc/29/36/91/371293691.db2.gz JWSKMDMZHSCCDA-AWEZNQCLSA-N 1 0 245.391 3.779 20 0 BHADRO C1=CCC(C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000624075537 371294495 /nfs/dbraw/zinc/29/44/95/371294495.db2.gz JWSKMDMZHSCCDA-CQSZACIVSA-N 1 0 245.391 3.779 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1CC=CC1 ZINC000624075776 371294458 /nfs/dbraw/zinc/29/44/58/371294458.db2.gz ZDSZEVXTUNSLPP-CYBMUJFWSA-N 1 0 207.361 3.677 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1CC=CC1 ZINC000624075777 371294422 /nfs/dbraw/zinc/29/44/22/371294422.db2.gz ZDSZEVXTUNSLPP-ZDUSSCGKSA-N 1 0 207.361 3.677 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CC=CC1 ZINC000624076414 371293780 /nfs/dbraw/zinc/29/37/80/371293780.db2.gz UYKZUJKQSHTRGC-HNNXBMFYSA-N 1 0 249.304 3.508 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CC=CC1 ZINC000624076415 371294233 /nfs/dbraw/zinc/29/42/33/371294233.db2.gz UYKZUJKQSHTRGC-OAHLLOKOSA-N 1 0 249.304 3.508 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000624076432 371289568 /nfs/dbraw/zinc/28/95/68/371289568.db2.gz VKDSGNAVBQCGDR-JTQLQIEISA-N 1 0 235.293 3.663 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000624076433 371289530 /nfs/dbraw/zinc/28/95/30/371289530.db2.gz VKDSGNAVBQCGDR-SNVBAGLBSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CC=CC1)c1ccncc1 ZINC000624076947 398326045 /nfs/dbraw/zinc/32/60/45/398326045.db2.gz KMKVMMURHVFGJP-INIZCTEOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CC=CC1)c1ccncc1 ZINC000624076948 398326364 /nfs/dbraw/zinc/32/63/64/398326364.db2.gz KMKVMMURHVFGJP-MRXNPFEDSA-N 1 0 244.382 3.725 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624112494 371316834 /nfs/dbraw/zinc/31/68/34/371316834.db2.gz ZDQTVZOOXZUHGB-AWEZNQCLSA-N 1 0 248.414 3.836 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624112495 371316801 /nfs/dbraw/zinc/31/68/01/371316801.db2.gz ZDQTVZOOXZUHGB-CQSZACIVSA-N 1 0 248.414 3.836 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C(C)(C)C)nc1 ZINC000624112591 346358409 /nfs/dbraw/zinc/35/84/09/346358409.db2.gz DDGLVYZBTVKXCV-CYBMUJFWSA-N 1 0 248.414 3.692 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C(C)(C)C)nc1 ZINC000624112592 346358522 /nfs/dbraw/zinc/35/85/22/346358522.db2.gz DDGLVYZBTVKXCV-ZDUSSCGKSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)c1ccc(C)cn1)C(C)C ZINC000624114133 346387474 /nfs/dbraw/zinc/38/74/74/346387474.db2.gz UTCVIOCAZZWVIC-AWEZNQCLSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)c1ccc(C)cn1)C(C)C ZINC000624114134 346387278 /nfs/dbraw/zinc/38/72/78/346387278.db2.gz UTCVIOCAZZWVIC-CQSZACIVSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114262 371318031 /nfs/dbraw/zinc/31/80/31/371318031.db2.gz XDDWEVHUERWFDT-KBPBESRZSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114263 371318404 /nfs/dbraw/zinc/31/84/04/371318404.db2.gz XDDWEVHUERWFDT-KGLIPLIRSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114264 371316364 /nfs/dbraw/zinc/31/63/64/371316364.db2.gz XDDWEVHUERWFDT-UONOGXRCSA-N 1 0 248.414 3.692 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114265 371317049 /nfs/dbraw/zinc/31/70/49/371317049.db2.gz XDDWEVHUERWFDT-ZIAGYGMSSA-N 1 0 248.414 3.692 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114317 371318495 /nfs/dbraw/zinc/31/84/95/371318495.db2.gz XVEQSKBXLMGHIB-AWEZNQCLSA-N 1 0 248.414 3.836 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624114318 371317567 /nfs/dbraw/zinc/31/75/67/371317567.db2.gz XVEQSKBXLMGHIB-CQSZACIVSA-N 1 0 248.414 3.836 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000624145891 371340670 /nfs/dbraw/zinc/34/06/70/371340670.db2.gz KVKWOACRDBOEON-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000624145892 371339593 /nfs/dbraw/zinc/33/95/93/371339593.db2.gz KVKWOACRDBOEON-RBSFLKMASA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CC(F)(F)CC ZINC000624147464 371340242 /nfs/dbraw/zinc/34/02/42/371340242.db2.gz AYDANMNEWRTPSP-JTQLQIEISA-N 1 0 247.354 3.704 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CC(F)(F)CC ZINC000624147465 371340321 /nfs/dbraw/zinc/34/03/21/371340321.db2.gz AYDANMNEWRTPSP-SNVBAGLBSA-N 1 0 247.354 3.704 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C)CCC=C(C)C ZINC000624147470 347255329 /nfs/dbraw/zinc/25/53/29/347255329.db2.gz BCYPZZBBJNANIA-LLVKDONJSA-N 1 0 219.319 3.756 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C)CCC=C(C)C ZINC000624147471 347255428 /nfs/dbraw/zinc/25/54/28/347255428.db2.gz BCYPZZBBJNANIA-NSHDSACASA-N 1 0 219.319 3.756 20 0 BHADRO CCC(F)(F)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000624147888 347262465 /nfs/dbraw/zinc/26/24/65/347262465.db2.gz NVHRIJXBAPXYGB-MRVPVSSYSA-N 1 0 249.251 3.661 20 0 BHADRO CCC(F)(F)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000624147889 347262012 /nfs/dbraw/zinc/26/20/12/347262012.db2.gz NVHRIJXBAPXYGB-QMMMGPOBSA-N 1 0 249.251 3.661 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000624148223 371344285 /nfs/dbraw/zinc/34/42/85/371344285.db2.gz YRPVDSCLTURGSM-NEPJUHHUSA-N 1 0 241.325 3.814 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000624148224 371344456 /nfs/dbraw/zinc/34/44/56/371344456.db2.gz YRPVDSCLTURGSM-NWDGAFQWSA-N 1 0 241.325 3.814 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000624148225 371344830 /nfs/dbraw/zinc/34/48/30/371344830.db2.gz YRPVDSCLTURGSM-RYUDHWBXSA-N 1 0 241.325 3.814 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000624148226 371344276 /nfs/dbraw/zinc/34/42/76/371344276.db2.gz YRPVDSCLTURGSM-VXGBXAGGSA-N 1 0 241.325 3.814 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000624148558 371344697 /nfs/dbraw/zinc/34/46/97/371344697.db2.gz IPYYOIQLPNFKIV-MRVPVSSYSA-N 1 0 247.251 3.742 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000624148559 371344241 /nfs/dbraw/zinc/34/42/41/371344241.db2.gz IPYYOIQLPNFKIV-QMMMGPOBSA-N 1 0 247.251 3.742 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000624148574 347275154 /nfs/dbraw/zinc/27/51/54/347275154.db2.gz IXDXNHMCMSMVJO-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000624148575 347275820 /nfs/dbraw/zinc/27/58/20/347275820.db2.gz IXDXNHMCMSMVJO-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(F)(F)C[NH2+]C(C1CCC1)C1CCC1 ZINC000624148761 371346056 /nfs/dbraw/zinc/34/60/56/371346056.db2.gz NFRVFUJGBWLEGE-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000624149026 371346073 /nfs/dbraw/zinc/34/60/73/371346073.db2.gz UUPRDJBBIMEANT-GHMZBOCLSA-N 1 0 237.309 3.540 20 0 BHADRO CCC(F)(F)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000624149027 371345757 /nfs/dbraw/zinc/34/57/57/371345757.db2.gz UUPRDJBBIMEANT-MNOVXSKESA-N 1 0 237.309 3.540 20 0 BHADRO CCC(F)(F)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000624149028 371345801 /nfs/dbraw/zinc/34/58/01/371345801.db2.gz UUPRDJBBIMEANT-QWRGUYRKSA-N 1 0 237.309 3.540 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000624149029 371344788 /nfs/dbraw/zinc/34/47/88/371344788.db2.gz UUPRDJBBIMEANT-WDEREUQCSA-N 1 0 237.309 3.540 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@H]2CCCSCC2)CC1 ZINC000624157896 371351556 /nfs/dbraw/zinc/35/15/56/371351556.db2.gz DPEJUIPEYBGWFL-KBPBESRZSA-N 1 0 239.428 3.608 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@H]2CCCSCC2)CC1 ZINC000624157897 371351534 /nfs/dbraw/zinc/35/15/34/371351534.db2.gz DPEJUIPEYBGWFL-KGLIPLIRSA-N 1 0 239.428 3.608 20 0 BHADRO C1=CC[C@H](CC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000624157898 371351851 /nfs/dbraw/zinc/35/18/51/371351851.db2.gz DPEJUIPEYBGWFL-UONOGXRCSA-N 1 0 239.428 3.608 20 0 BHADRO C1=CC[C@@H](CC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000624157899 371352438 /nfs/dbraw/zinc/35/24/38/371352438.db2.gz DPEJUIPEYBGWFL-ZIAGYGMSSA-N 1 0 239.428 3.608 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccnc1C ZINC000624162509 371354427 /nfs/dbraw/zinc/35/44/27/371354427.db2.gz CJSBTNRBHHGMIR-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccnc1C ZINC000624162510 371354469 /nfs/dbraw/zinc/35/44/69/371354469.db2.gz CJSBTNRBHHGMIR-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccnc1C ZINC000624162511 371354265 /nfs/dbraw/zinc/35/42/65/371354265.db2.gz CJSBTNRBHHGMIR-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccnc1C ZINC000624162512 371354753 /nfs/dbraw/zinc/35/47/53/371354753.db2.gz CJSBTNRBHHGMIR-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccnc1C ZINC000624162771 371354173 /nfs/dbraw/zinc/35/41/73/371354173.db2.gz KGCUYQXIGKJYLX-DOMZBBRYSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccnc1C ZINC000624162772 371354911 /nfs/dbraw/zinc/35/49/11/371354911.db2.gz KGCUYQXIGKJYLX-IUODEOHRSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccnc1C ZINC000624162773 371354678 /nfs/dbraw/zinc/35/46/78/371354678.db2.gz KGCUYQXIGKJYLX-SWLSCSKDSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccnc1C ZINC000624162774 371355010 /nfs/dbraw/zinc/35/50/10/371355010.db2.gz KGCUYQXIGKJYLX-WFASDCNBSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000624164245 349423004 /nfs/dbraw/zinc/42/30/04/349423004.db2.gz ADRAIFZTPGDEKE-INIZCTEOSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000624164246 349423072 /nfs/dbraw/zinc/42/30/72/349423072.db2.gz ADRAIFZTPGDEKE-MRXNPFEDSA-N 1 0 246.398 3.694 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1C ZINC000624164607 371360410 /nfs/dbraw/zinc/36/04/10/371360410.db2.gz YYFWTHBMDQNRAC-CHWSQXEVSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1C ZINC000624164608 371360084 /nfs/dbraw/zinc/36/00/84/371360084.db2.gz YYFWTHBMDQNRAC-OLZOCXBDSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1C ZINC000624164609 371359782 /nfs/dbraw/zinc/35/97/82/371359782.db2.gz YYFWTHBMDQNRAC-QWHCGFSZSA-N 1 0 234.387 3.694 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccnc1C ZINC000624164610 371359853 /nfs/dbraw/zinc/35/98/53/371359853.db2.gz YYFWTHBMDQNRAC-STQMWFEESA-N 1 0 234.387 3.694 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000624196403 371384632 /nfs/dbraw/zinc/38/46/32/371384632.db2.gz FJJHFQAPGCUXOQ-LWTINBJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000624196404 371384524 /nfs/dbraw/zinc/38/45/24/371384524.db2.gz FJJHFQAPGCUXOQ-ORAHPGNNSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000624196405 371385114 /nfs/dbraw/zinc/38/51/14/371385114.db2.gz FJJHFQAPGCUXOQ-UMCURTJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000624196406 371384470 /nfs/dbraw/zinc/38/44/70/371384470.db2.gz FJJHFQAPGCUXOQ-YEZKRMTDSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000624197402 371386297 /nfs/dbraw/zinc/38/62/97/371386297.db2.gz KZPFUQOASRHQQX-FSIBCCDJSA-N 1 0 243.803 3.888 20 0 BHADRO C/C=C/C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000624197403 371386452 /nfs/dbraw/zinc/38/64/52/371386452.db2.gz KZPFUQOASRHQQX-HMDXOVGESA-N 1 0 243.803 3.888 20 0 BHADRO C/C=C\C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000624197404 371385812 /nfs/dbraw/zinc/38/58/12/371385812.db2.gz KZPFUQOASRHQQX-UMBAGQNISA-N 1 0 243.803 3.888 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000624197405 371385932 /nfs/dbraw/zinc/38/59/32/371385932.db2.gz KZPFUQOASRHQQX-XOULXFPDSA-N 1 0 243.803 3.888 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197487 342791989 /nfs/dbraw/zinc/79/19/89/342791989.db2.gz NUYRTEUQSGCGKY-LWTINBJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197488 342791968 /nfs/dbraw/zinc/79/19/68/342791968.db2.gz NUYRTEUQSGCGKY-ORAHPGNNSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197489 342792002 /nfs/dbraw/zinc/79/20/02/342792002.db2.gz NUYRTEUQSGCGKY-UMCURTJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197490 342791956 /nfs/dbraw/zinc/79/19/56/342791956.db2.gz NUYRTEUQSGCGKY-YEZKRMTDSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000624197499 371386060 /nfs/dbraw/zinc/38/60/60/371386060.db2.gz OHKJKWUSZQXXFI-FGEFZZPRSA-N 1 0 238.400 3.802 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000624197500 371385660 /nfs/dbraw/zinc/38/56/60/371385660.db2.gz OHKJKWUSZQXXFI-GFVADAIESA-N 1 0 238.400 3.802 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000624197501 371386620 /nfs/dbraw/zinc/38/66/20/371386620.db2.gz OHKJKWUSZQXXFI-JYESYGNLSA-N 1 0 238.400 3.802 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000624197502 371386590 /nfs/dbraw/zinc/38/65/90/371386590.db2.gz OHKJKWUSZQXXFI-VQCYPWCPSA-N 1 0 238.400 3.802 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000624197653 371386528 /nfs/dbraw/zinc/38/65/28/371386528.db2.gz SHOMMBDRYIEVTM-LWTINBJPSA-N 1 0 239.359 3.774 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000624197654 371385985 /nfs/dbraw/zinc/38/59/85/371385985.db2.gz SHOMMBDRYIEVTM-ORAHPGNNSA-N 1 0 239.359 3.774 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000624197655 371383812 /nfs/dbraw/zinc/38/38/12/371383812.db2.gz SHOMMBDRYIEVTM-UMCURTJPSA-N 1 0 239.359 3.774 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000624197656 371383837 /nfs/dbraw/zinc/38/38/37/371383837.db2.gz SHOMMBDRYIEVTM-YEZKRMTDSA-N 1 0 239.359 3.774 20 0 BHADRO C/C=C\C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000624197801 371386018 /nfs/dbraw/zinc/38/60/18/371386018.db2.gz XHLNKMUTDNWBSQ-DLGQBQFBSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C/C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000624197802 371385871 /nfs/dbraw/zinc/38/58/71/371385871.db2.gz XHLNKMUTDNWBSQ-JDGPPOGSSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000624197803 371386232 /nfs/dbraw/zinc/38/62/32/371386232.db2.gz XHLNKMUTDNWBSQ-QAVQXKDTSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000624197804 371385539 /nfs/dbraw/zinc/38/55/39/371385539.db2.gz XHLNKMUTDNWBSQ-ZZKXABKFSA-N 1 0 237.343 3.528 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197848 342793786 /nfs/dbraw/zinc/79/37/86/342793786.db2.gz YFWCDTAJHCWXNQ-BAABZTOOSA-N 1 0 243.350 3.599 20 0 BHADRO C/C=C/C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197849 342793652 /nfs/dbraw/zinc/79/36/52/342793652.db2.gz YFWCDTAJHCWXNQ-HSWBROFVSA-N 1 0 243.350 3.599 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197850 342793686 /nfs/dbraw/zinc/79/36/86/342793686.db2.gz YFWCDTAJHCWXNQ-PYLYLYNFSA-N 1 0 243.350 3.599 20 0 BHADRO C/C=C\C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197851 342793612 /nfs/dbraw/zinc/79/36/12/342793612.db2.gz YFWCDTAJHCWXNQ-SFAKSCPVSA-N 1 0 243.350 3.599 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000624198052 371386565 /nfs/dbraw/zinc/38/65/65/371386565.db2.gz DBXRMNYBHYVRSH-ITKZLYELSA-N 1 0 235.396 3.505 20 0 BHADRO C/C=C\C[NH2+][C@H](C)Cc1ccccc1SC ZINC000624198053 371387815 /nfs/dbraw/zinc/38/78/15/371387815.db2.gz DBXRMNYBHYVRSH-QMAVJUDZSA-N 1 0 235.396 3.505 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000624198054 371387842 /nfs/dbraw/zinc/38/78/42/371387842.db2.gz DBXRMNYBHYVRSH-RXNFCKPNSA-N 1 0 235.396 3.505 20 0 BHADRO C/C=C/C[NH2+][C@H](C)Cc1ccccc1SC ZINC000624198055 371387746 /nfs/dbraw/zinc/38/77/46/371387746.db2.gz DBXRMNYBHYVRSH-ZYOFXKKJSA-N 1 0 235.396 3.505 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000624198060 371387427 /nfs/dbraw/zinc/38/74/27/371387427.db2.gz DKYUUDLMFGVREG-LPUOJRKPSA-N 1 0 244.382 3.582 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000624198061 371387223 /nfs/dbraw/zinc/38/72/23/371387223.db2.gz DKYUUDLMFGVREG-LRPXVYOUSA-N 1 0 244.382 3.582 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000624198062 371387208 /nfs/dbraw/zinc/38/72/08/371387208.db2.gz DKYUUDLMFGVREG-NMONBKHDSA-N 1 0 244.382 3.582 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000624198063 371387410 /nfs/dbraw/zinc/38/74/10/371387410.db2.gz DKYUUDLMFGVREG-VUBDOFJKSA-N 1 0 244.382 3.582 20 0 BHADRO C/C=C\C[NH2+][C@@H](CCC)c1ccsc1 ZINC000624198563 371387734 /nfs/dbraw/zinc/38/77/34/371387734.db2.gz RWKLTLCXEZYXEV-FHMRSRPSSA-N 1 0 209.358 3.755 20 0 BHADRO C/C=C\C[NH2+][C@H](CCC)c1ccsc1 ZINC000624198564 371387660 /nfs/dbraw/zinc/38/76/60/371387660.db2.gz RWKLTLCXEZYXEV-KTLBGCOUSA-N 1 0 209.358 3.755 20 0 BHADRO C/C=C/C[NH2+][C@H](CCC)c1ccsc1 ZINC000624198565 371387679 /nfs/dbraw/zinc/38/76/79/371387679.db2.gz RWKLTLCXEZYXEV-OGOUPESXSA-N 1 0 209.358 3.755 20 0 BHADRO C/C=C/C[NH2+][C@@H](CCC)c1ccsc1 ZINC000624198566 371387539 /nfs/dbraw/zinc/38/75/39/371387539.db2.gz RWKLTLCXEZYXEV-PYEVWLCESA-N 1 0 209.358 3.755 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000624198757 342840119 /nfs/dbraw/zinc/84/01/19/342840119.db2.gz XEAPWSZFAXLHFJ-NQHOJNORSA-N 1 0 219.328 3.595 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000624198758 342840104 /nfs/dbraw/zinc/84/01/04/342840104.db2.gz XEAPWSZFAXLHFJ-RDFMZFSFSA-N 1 0 219.328 3.595 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000624198759 342840094 /nfs/dbraw/zinc/84/00/94/342840094.db2.gz XEAPWSZFAXLHFJ-VQTKUKTRSA-N 1 0 219.328 3.595 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000624198760 342840121 /nfs/dbraw/zinc/84/01/21/342840121.db2.gz XEAPWSZFAXLHFJ-XGACYXMMSA-N 1 0 219.328 3.595 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000624198900 371389031 /nfs/dbraw/zinc/38/90/31/371389031.db2.gz BHDYZCASTLWDDJ-LWTINBJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000624198901 371389169 /nfs/dbraw/zinc/38/91/69/371389169.db2.gz BHDYZCASTLWDDJ-ORAHPGNNSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000624198902 371388705 /nfs/dbraw/zinc/38/87/05/371388705.db2.gz BHDYZCASTLWDDJ-UMCURTJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000624198903 371388751 /nfs/dbraw/zinc/38/87/51/371388751.db2.gz BHDYZCASTLWDDJ-YEZKRMTDSA-N 1 0 239.746 3.575 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624198932 371388778 /nfs/dbraw/zinc/38/87/78/371388778.db2.gz CEIRZCJITSJJCF-GUIRCDHDSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624198934 371388931 /nfs/dbraw/zinc/38/89/31/371388931.db2.gz CEIRZCJITSJJCF-XPCVCDNBSA-N 1 0 249.423 3.705 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000624198972 371388582 /nfs/dbraw/zinc/38/85/82/371388582.db2.gz CSSGPPXRYKRNPO-ISBNUJHVSA-N 1 0 221.369 3.852 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000624198973 371388958 /nfs/dbraw/zinc/38/89/58/371388958.db2.gz CSSGPPXRYKRNPO-KJDJKKKBSA-N 1 0 221.369 3.852 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000624198974 371388852 /nfs/dbraw/zinc/38/88/52/371388852.db2.gz CSSGPPXRYKRNPO-OIFMLDNNSA-N 1 0 221.369 3.852 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000624198975 371389081 /nfs/dbraw/zinc/38/90/81/371389081.db2.gz CSSGPPXRYKRNPO-YZKQYGISSA-N 1 0 221.369 3.852 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000624199024 342841294 /nfs/dbraw/zinc/84/12/94/342841294.db2.gz DSOYBNIPVPJPRH-GUIRCDHDSA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000624199025 342841352 /nfs/dbraw/zinc/84/13/52/342841352.db2.gz DSOYBNIPVPJPRH-XPCVCDNBSA-N 1 0 233.355 3.675 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199084 342841872 /nfs/dbraw/zinc/84/18/72/342841872.db2.gz GQCYENDGAZMGBO-AYDFFVQHSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199085 342841847 /nfs/dbraw/zinc/84/18/47/342841847.db2.gz GQCYENDGAZMGBO-HGTKMLMNSA-N 1 0 247.382 3.627 20 0 BHADRO C/C=C/C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000624199297 371390069 /nfs/dbraw/zinc/39/00/69/371390069.db2.gz LJMUEUCKXUFKAV-AAOUONPWSA-N 1 0 229.323 3.530 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000624199298 371389824 /nfs/dbraw/zinc/38/98/24/371389824.db2.gz LJMUEUCKXUFKAV-MVZIDQBPSA-N 1 0 229.323 3.530 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000624199299 371390144 /nfs/dbraw/zinc/39/01/44/371390144.db2.gz LJMUEUCKXUFKAV-PCAWENJQSA-N 1 0 229.323 3.530 20 0 BHADRO C/C=C\C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000624199300 371390005 /nfs/dbraw/zinc/39/00/05/371390005.db2.gz LJMUEUCKXUFKAV-VSQXVHSFSA-N 1 0 229.323 3.530 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cccs1 ZINC000624199385 371390118 /nfs/dbraw/zinc/39/01/18/371390118.db2.gz NERBIZJBAKJHRK-FMSGJZPZSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cccs1 ZINC000624199386 371390193 /nfs/dbraw/zinc/39/01/93/371390193.db2.gz NERBIZJBAKJHRK-NRWUCQMLSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199399 371390079 /nfs/dbraw/zinc/39/00/79/371390079.db2.gz NQVTYBXQXKLFHE-MHEUCROKSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199401 371390133 /nfs/dbraw/zinc/39/01/33/371390133.db2.gz NQVTYBXQXKLFHE-REBRKWNGSA-N 1 0 249.423 3.705 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000624199716 342843193 /nfs/dbraw/zinc/84/31/93/342843193.db2.gz WREJVLPIHFXVEI-FSIBCCDJSA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000624199717 342843250 /nfs/dbraw/zinc/84/32/50/342843250.db2.gz WREJVLPIHFXVEI-HMDXOVGESA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000624199718 342843264 /nfs/dbraw/zinc/84/32/64/342843264.db2.gz WREJVLPIHFXVEI-UMBAGQNISA-N 1 0 232.352 3.523 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000624199719 342843267 /nfs/dbraw/zinc/84/32/67/342843267.db2.gz WREJVLPIHFXVEI-XOULXFPDSA-N 1 0 232.352 3.523 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000624199854 342843730 /nfs/dbraw/zinc/84/37/30/342843730.db2.gz ZLYNUKMSFVFFOK-DEQVHRJGSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccsc1 ZINC000624199856 342843797 /nfs/dbraw/zinc/84/37/97/342843797.db2.gz ZLYNUKMSFVFFOK-RUZUBIRVSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200480 371391939 /nfs/dbraw/zinc/39/19/39/371391939.db2.gz MVUCBHPWFMKHHO-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200481 371391927 /nfs/dbraw/zinc/39/19/27/371391927.db2.gz MVUCBHPWFMKHHO-YFKTTZPYSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000624201060 342856333 /nfs/dbraw/zinc/85/63/33/342856333.db2.gz YGTGAWOQGIKQQI-FZKCQIBNSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000624201063 342856352 /nfs/dbraw/zinc/85/63/52/342856352.db2.gz YGTGAWOQGIKQQI-QKPAOTATSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C(C)(C)C(F)F ZINC000624201417 371392932 /nfs/dbraw/zinc/39/29/32/371392932.db2.gz IPQWSJAQKAUDLZ-DYNIEEOBSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C(C)(C)C(F)F ZINC000624201419 371392666 /nfs/dbraw/zinc/39/26/66/371392666.db2.gz IPQWSJAQKAUDLZ-NJBDSQKTSA-N 1 0 245.357 3.692 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624266464 371450347 /nfs/dbraw/zinc/45/03/47/371450347.db2.gz OJWOAULBMUBVOA-CYBMUJFWSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624266465 371450266 /nfs/dbraw/zinc/45/02/66/371450266.db2.gz OJWOAULBMUBVOA-ZDUSSCGKSA-N 1 0 240.350 3.637 20 0 BHADRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000624272328 371453370 /nfs/dbraw/zinc/45/33/70/371453370.db2.gz CBPHUYZACMPVEY-LLVKDONJSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000624272329 371452674 /nfs/dbraw/zinc/45/26/74/371452674.db2.gz CBPHUYZACMPVEY-NSHDSACASA-N 1 0 249.320 3.887 20 0 BHADRO CCC[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272415 371454160 /nfs/dbraw/zinc/45/41/60/371454160.db2.gz FOUYXZGURXBLNC-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272416 371454234 /nfs/dbraw/zinc/45/42/34/371454234.db2.gz FOUYXZGURXBLNC-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272544 371454199 /nfs/dbraw/zinc/45/41/99/371454199.db2.gz JLXUDNWNPKWSDU-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272545 371454049 /nfs/dbraw/zinc/45/40/49/371454049.db2.gz JLXUDNWNPKWSDU-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272556 371454187 /nfs/dbraw/zinc/45/41/87/371454187.db2.gz JXTGDYUFWCWIJK-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272557 371454512 /nfs/dbraw/zinc/45/45/12/371454512.db2.gz JXTGDYUFWCWIJK-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CC([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000624272612 371448379 /nfs/dbraw/zinc/44/83/79/371448379.db2.gz LZZGCIKRRBPLIE-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)C1CCC1 ZINC000624272816 371454052 /nfs/dbraw/zinc/45/40/52/371454052.db2.gz QNEJJYILRXWLGH-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)C1CCC1 ZINC000624272817 371454143 /nfs/dbraw/zinc/45/41/43/371454143.db2.gz QNEJJYILRXWLGH-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273094 371454194 /nfs/dbraw/zinc/45/41/94/371454194.db2.gz VXXHVBALMSFNDA-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273095 371454129 /nfs/dbraw/zinc/45/41/29/371454129.db2.gz VXXHVBALMSFNDA-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CCC(CC)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273119 371454088 /nfs/dbraw/zinc/45/40/88/371454088.db2.gz WHSZNLHDRBRYKD-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@@H]1C ZINC000624273179 371454489 /nfs/dbraw/zinc/45/44/89/371454489.db2.gz XTWKHUJCLOUILG-GMTAPVOTSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@@H]1C ZINC000624273180 371449528 /nfs/dbraw/zinc/44/95/28/371449528.db2.gz XTWKHUJCLOUILG-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H]1C ZINC000624273181 371449512 /nfs/dbraw/zinc/44/95/12/371449512.db2.gz XTWKHUJCLOUILG-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H]1C ZINC000624273182 371450606 /nfs/dbraw/zinc/45/06/06/371450606.db2.gz XTWKHUJCLOUILG-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273257 343641432 /nfs/dbraw/zinc/64/14/32/343641432.db2.gz YUKGJQWQJPKHGD-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273259 343641411 /nfs/dbraw/zinc/64/14/11/343641411.db2.gz YUKGJQWQJPKHGD-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273261 343641280 /nfs/dbraw/zinc/64/12/80/343641280.db2.gz YUKGJQWQJPKHGD-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624273263 343641240 /nfs/dbraw/zinc/64/12/40/343641240.db2.gz YUKGJQWQJPKHGD-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccccc1CC(F)(F)F ZINC000624306599 343681382 /nfs/dbraw/zinc/68/13/82/343681382.db2.gz JDUCLVULGQVWRY-JTQLQIEISA-N 1 0 245.288 3.680 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccccc1CC(F)(F)F ZINC000624306600 343681369 /nfs/dbraw/zinc/68/13/69/343681369.db2.gz JDUCLVULGQVWRY-SNVBAGLBSA-N 1 0 245.288 3.680 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccccc1 ZINC000624308355 343682569 /nfs/dbraw/zinc/68/25/69/343682569.db2.gz KCEJOZVXZSWKEH-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccccc1 ZINC000624308356 343682477 /nfs/dbraw/zinc/68/24/77/343682477.db2.gz KCEJOZVXZSWKEH-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccoc1 ZINC000624312987 371475725 /nfs/dbraw/zinc/47/57/25/371475725.db2.gz CASYVLTWCXVCFY-AAEUAGOBSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccoc1 ZINC000624312988 371475215 /nfs/dbraw/zinc/47/52/15/371475215.db2.gz CASYVLTWCXVCFY-DGCLKSJQSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccoc1 ZINC000624312989 371475757 /nfs/dbraw/zinc/47/57/57/371475757.db2.gz CASYVLTWCXVCFY-WCQYABFASA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccoc1 ZINC000624312990 371475406 /nfs/dbraw/zinc/47/54/06/371475406.db2.gz CASYVLTWCXVCFY-YPMHNXCESA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccsc1 ZINC000624313046 371475361 /nfs/dbraw/zinc/47/53/61/371475361.db2.gz DDDNKQGSWVZOCG-AAEUAGOBSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccsc1 ZINC000624313047 371475287 /nfs/dbraw/zinc/47/52/87/371475287.db2.gz DDDNKQGSWVZOCG-DGCLKSJQSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccsc1 ZINC000624313048 371475389 /nfs/dbraw/zinc/47/53/89/371475389.db2.gz DDDNKQGSWVZOCG-WCQYABFASA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccsc1 ZINC000624313049 371475375 /nfs/dbraw/zinc/47/53/75/371475375.db2.gz DDDNKQGSWVZOCG-YPMHNXCESA-N 1 0 235.396 3.979 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC23CC3)o1 ZINC000624313316 371476415 /nfs/dbraw/zinc/47/64/15/371476415.db2.gz KGXHDDICFPNNFA-CHWSQXEVSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC23CC3)o1 ZINC000624313317 371476321 /nfs/dbraw/zinc/47/63/21/371476321.db2.gz KGXHDDICFPNNFA-OLZOCXBDSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC23CC3)o1 ZINC000624313318 371476685 /nfs/dbraw/zinc/47/66/85/371476685.db2.gz KGXHDDICFPNNFA-QWHCGFSZSA-N 1 0 233.355 3.819 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC23CC3)o1 ZINC000624313319 371476770 /nfs/dbraw/zinc/47/67/70/371476770.db2.gz KGXHDDICFPNNFA-STQMWFEESA-N 1 0 233.355 3.819 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313323 371476514 /nfs/dbraw/zinc/47/65/14/371476514.db2.gz KHVDRHFWRMPFGQ-CHWSQXEVSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313324 371476703 /nfs/dbraw/zinc/47/67/03/371476703.db2.gz KHVDRHFWRMPFGQ-OLZOCXBDSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313325 371476696 /nfs/dbraw/zinc/47/66/96/371476696.db2.gz KHVDRHFWRMPFGQ-QWHCGFSZSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313326 371476532 /nfs/dbraw/zinc/47/65/32/371476532.db2.gz KHVDRHFWRMPFGQ-STQMWFEESA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313434 371476345 /nfs/dbraw/zinc/47/63/45/371476345.db2.gz MLIDWVZLVLECSC-GXTWGEPZSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313435 371476501 /nfs/dbraw/zinc/47/65/01/371476501.db2.gz MLIDWVZLVLECSC-JSGCOSHPSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313436 371476522 /nfs/dbraw/zinc/47/65/22/371476522.db2.gz MLIDWVZLVLECSC-OCCSQVGLSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313437 371476325 /nfs/dbraw/zinc/47/63/25/371476325.db2.gz MLIDWVZLVLECSC-TZMCWYRMSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccco1 ZINC000624313590 343688321 /nfs/dbraw/zinc/68/83/21/343688321.db2.gz PWZJNPDTUZOTOP-NEPJUHHUSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccco1 ZINC000624313591 343688442 /nfs/dbraw/zinc/68/84/42/343688442.db2.gz PWZJNPDTUZOTOP-NWDGAFQWSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccco1 ZINC000624313592 343688426 /nfs/dbraw/zinc/68/84/26/343688426.db2.gz PWZJNPDTUZOTOP-RYUDHWBXSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccco1 ZINC000624313593 343688368 /nfs/dbraw/zinc/68/83/68/343688368.db2.gz PWZJNPDTUZOTOP-VXGBXAGGSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1cccs1 ZINC000624313602 371476816 /nfs/dbraw/zinc/47/68/16/371476816.db2.gz QFEWZGKILINBFD-NEPJUHHUSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1cccs1 ZINC000624313603 371476409 /nfs/dbraw/zinc/47/64/09/371476409.db2.gz QFEWZGKILINBFD-NWDGAFQWSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1cccs1 ZINC000624313604 371476483 /nfs/dbraw/zinc/47/64/83/371476483.db2.gz QFEWZGKILINBFD-RYUDHWBXSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1cccs1 ZINC000624313605 371476805 /nfs/dbraw/zinc/47/68/05/371476805.db2.gz QFEWZGKILINBFD-VXGBXAGGSA-N 1 0 235.396 3.979 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313749 371476374 /nfs/dbraw/zinc/47/63/74/371476374.db2.gz SXWXZVIBMGWMPI-KBPBESRZSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624313750 371476441 /nfs/dbraw/zinc/47/64/41/371476441.db2.gz SXWXZVIBMGWMPI-KGLIPLIRSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313751 371476435 /nfs/dbraw/zinc/47/64/35/371476435.db2.gz SXWXZVIBMGWMPI-UONOGXRCSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC12CC2 ZINC000624313752 371476364 /nfs/dbraw/zinc/47/63/64/371476364.db2.gz SXWXZVIBMGWMPI-ZIAGYGMSSA-N 1 0 247.382 3.771 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314039 371477845 /nfs/dbraw/zinc/47/78/45/371477845.db2.gz AWIMNLOGHDJJSY-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314040 371477897 /nfs/dbraw/zinc/47/78/97/371477897.db2.gz AWIMNLOGHDJJSY-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314041 371477385 /nfs/dbraw/zinc/47/73/85/371477385.db2.gz AWIMNLOGHDJJSY-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314042 371477721 /nfs/dbraw/zinc/47/77/21/371477721.db2.gz AWIMNLOGHDJJSY-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1cccc(O)c1 ZINC000624314338 371477462 /nfs/dbraw/zinc/47/74/62/371477462.db2.gz HBGUDKJNAQCFPR-GXTWGEPZSA-N 1 0 245.366 3.623 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1cccc(O)c1 ZINC000624314339 343689343 /nfs/dbraw/zinc/68/93/43/343689343.db2.gz HBGUDKJNAQCFPR-JSGCOSHPSA-N 1 0 245.366 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1cccc(O)c1 ZINC000624314340 343689372 /nfs/dbraw/zinc/68/93/72/343689372.db2.gz HBGUDKJNAQCFPR-OCCSQVGLSA-N 1 0 245.366 3.623 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1cccc(O)c1 ZINC000624314341 343689338 /nfs/dbraw/zinc/68/93/38/343689338.db2.gz HBGUDKJNAQCFPR-TZMCWYRMSA-N 1 0 245.366 3.623 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000624314630 371478570 /nfs/dbraw/zinc/47/85/70/371478570.db2.gz MROMHHDEUANVOM-DZGCQCFKSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000624314631 371478719 /nfs/dbraw/zinc/47/87/19/371478719.db2.gz MROMHHDEUANVOM-HIFRSBDPSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000624314632 371478677 /nfs/dbraw/zinc/47/86/77/371478677.db2.gz MROMHHDEUANVOM-UKRRQHHQSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000624314633 371478692 /nfs/dbraw/zinc/47/86/92/371478692.db2.gz MROMHHDEUANVOM-ZFWWWQNUSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314948 343690715 /nfs/dbraw/zinc/69/07/15/343690715.db2.gz SBYVBFLTVHNOPO-KBPBESRZSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314949 343690516 /nfs/dbraw/zinc/69/05/16/343690516.db2.gz SBYVBFLTVHNOPO-KGLIPLIRSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314950 343690541 /nfs/dbraw/zinc/69/05/41/343690541.db2.gz SBYVBFLTVHNOPO-UONOGXRCSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314951 343690624 /nfs/dbraw/zinc/69/06/24/343690624.db2.gz SBYVBFLTVHNOPO-ZIAGYGMSSA-N 1 0 244.382 3.621 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccncc1 ZINC000624316039 371479858 /nfs/dbraw/zinc/47/98/58/371479858.db2.gz IORLHOROVYGGHN-CABCVRRESA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccncc1 ZINC000624316040 371479931 /nfs/dbraw/zinc/47/99/31/371479931.db2.gz IORLHOROVYGGHN-GJZGRUSLSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccncc1 ZINC000624316041 371479906 /nfs/dbraw/zinc/47/99/06/371479906.db2.gz IORLHOROVYGGHN-HUUCEWRRSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccncc1 ZINC000624316042 371479953 /nfs/dbraw/zinc/47/99/53/371479953.db2.gz IORLHOROVYGGHN-LSDHHAIUSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000624316212 371479893 /nfs/dbraw/zinc/47/98/93/371479893.db2.gz LBHOOOQQBDBULK-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000624316213 371479751 /nfs/dbraw/zinc/47/97/51/371479751.db2.gz LBHOOOQQBDBULK-MNOVXSKESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000624316214 371480092 /nfs/dbraw/zinc/48/00/92/371480092.db2.gz LBHOOOQQBDBULK-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000624316215 371479724 /nfs/dbraw/zinc/47/97/24/371479724.db2.gz LBHOOOQQBDBULK-WDEREUQCSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H](C)CCC[N@H+](CC)C[C@@H]1CCOC1 ZINC000625086835 342849335 /nfs/dbraw/zinc/84/93/35/342849335.db2.gz BAQQZPAAUPUPMX-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)CCC[N@H+](CC)C[C@@H]1CCOC1 ZINC000625086842 342849211 /nfs/dbraw/zinc/84/92/11/342849211.db2.gz BAQQZPAAUPUPMX-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@@H](C)CCC[N@H+](CC)C[C@H]1CCOC1 ZINC000625086844 342849332 /nfs/dbraw/zinc/84/93/32/342849332.db2.gz BAQQZPAAUPUPMX-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)CCC[N@H+](CC)C[C@H]1CCOC1 ZINC000625086846 342849287 /nfs/dbraw/zinc/84/92/87/342849287.db2.gz BAQQZPAAUPUPMX-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)CCC[NH+]1CCC(OCC)CC1 ZINC000625101498 342856436 /nfs/dbraw/zinc/85/64/36/342856436.db2.gz HTZKILWXOVBQHG-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H](C)CCC[NH+]1CCC(OCC)CC1 ZINC000625101499 342856681 /nfs/dbraw/zinc/85/66/81/342856681.db2.gz HTZKILWXOVBQHG-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[N@H+](CCC(F)(F)F)CC1CC(C)(C)C1 ZINC000625129493 342881711 /nfs/dbraw/zinc/88/17/11/342881711.db2.gz IRISVYACKXBNQZ-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CCC[C@@H](C)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000625154994 342895812 /nfs/dbraw/zinc/89/58/12/342895812.db2.gz MYOAVHGQEWYZJJ-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000625154995 342895860 /nfs/dbraw/zinc/89/58/60/342895860.db2.gz MYOAVHGQEWYZJJ-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@@H](C)CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000625154997 342895802 /nfs/dbraw/zinc/89/58/02/342895802.db2.gz MYOAVHGQEWYZJJ-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@H](C)CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000625154998 342895810 /nfs/dbraw/zinc/89/58/10/342895810.db2.gz MYOAVHGQEWYZJJ-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1ccc2sc(C[N@H+]3CCC[C@H]3C)nc2c1 ZINC000625204339 342910055 /nfs/dbraw/zinc/91/00/55/342910055.db2.gz MEMRDPSZNNDAMT-LLVKDONJSA-N 1 0 246.379 3.589 20 0 BHADRO Cc1ccc2sc(C[N@H+]3CCC[C@@H]3C)nc2c1 ZINC000625204345 342910025 /nfs/dbraw/zinc/91/00/25/342910025.db2.gz MEMRDPSZNNDAMT-NSHDSACASA-N 1 0 246.379 3.589 20 0 BHADRO CCC[C@H](C)CCC[N@H+](C)CC1CCOCC1 ZINC000625279932 343218959 /nfs/dbraw/zinc/21/89/59/343218959.db2.gz KCEBNDZOKKEXDZ-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCC[C@@H](C)CCC[N@H+](C)CC1CCOCC1 ZINC000625279933 343218771 /nfs/dbraw/zinc/21/87/71/343218771.db2.gz KCEBNDZOKKEXDZ-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO CCO[C@@H](C[NH2+][C@H](CC)c1ccccc1)C1CC1 ZINC000625283139 343220242 /nfs/dbraw/zinc/22/02/42/343220242.db2.gz HFEGMRVYBWBSHT-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@@H](C[NH2+][C@@H](CC)c1ccccc1)C1CC1 ZINC000625283140 343220087 /nfs/dbraw/zinc/22/00/87/343220087.db2.gz HFEGMRVYBWBSHT-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@H](CC)c1ccccc1)C1CC1 ZINC000625283141 343220171 /nfs/dbraw/zinc/22/01/71/343220171.db2.gz HFEGMRVYBWBSHT-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CCO[C@H](C[NH2+][C@@H](CC)c1ccccc1)C1CC1 ZINC000625283142 343220119 /nfs/dbraw/zinc/22/01/19/343220119.db2.gz HFEGMRVYBWBSHT-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[NH+](Cc1cc(O)ccc1Cl)C(C)C ZINC000625287227 343221194 /nfs/dbraw/zinc/22/11/94/343221194.db2.gz MJERHGXGWUXVNC-UHFFFAOYSA-N 1 0 241.762 3.664 20 0 BHADRO CCC[C@H](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000625295191 343223809 /nfs/dbraw/zinc/22/38/09/343223809.db2.gz LBYFFEKHEKLIBW-KBPBESRZSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000625295192 343223838 /nfs/dbraw/zinc/22/38/38/343223838.db2.gz LBYFFEKHEKLIBW-KGLIPLIRSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H](C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000625295193 343223777 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FC1(F)CCC[N@H+](CCC2CCCC2)CC1 ZINC000625767475 344068293 /nfs/dbraw/zinc/06/82/93/344068293.db2.gz BJGOIPBFHUAEDA-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCCC(F)(F)CC1 ZINC000625768846 344068819 /nfs/dbraw/zinc/06/88/19/344068819.db2.gz VAQQJJMKTMCSCA-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO FC1(F)CCC[N@@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000625770852 344066433 /nfs/dbraw/zinc/06/64/33/344066433.db2.gz VYQFQBVODXKOHO-CYBMUJFWSA-N 1 0 243.341 3.997 20 0 BHADRO FC1(F)CCC[N@@H+]([C@H]2C=CCCCCC2)CC1 ZINC000625770853 344066612 /nfs/dbraw/zinc/06/66/12/344066612.db2.gz VYQFQBVODXKOHO-ZDUSSCGKSA-N 1 0 243.341 3.997 20 0 BHADRO CC(C)CCC[N@@H+]1CCCC(F)(F)CC1 ZINC000625770863 344066001 /nfs/dbraw/zinc/06/60/01/344066001.db2.gz WGCMDARSPLVETB-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)cs1 ZINC000625771072 344067147 /nfs/dbraw/zinc/06/71/47/344067147.db2.gz ACCOXLBPZOMELS-UHFFFAOYSA-N 1 0 245.338 3.678 20 0 BHADRO CCC(CC)C[N@@H+]1CCCC(F)(F)CC1 ZINC000625771102 344067167 /nfs/dbraw/zinc/06/71/67/344067167.db2.gz ATSHAXCOBWEXLJ-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625771180 344067239 /nfs/dbraw/zinc/06/72/39/344067239.db2.gz BZQBBKZBSRNSTK-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625771181 344067040 /nfs/dbraw/zinc/06/70/40/344067040.db2.gz BZQBBKZBSRNSTK-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO CC1(C)CC(C[N@@H+]2CCCC(F)(F)CC2)C1 ZINC000625771253 344067000 /nfs/dbraw/zinc/06/70/00/344067000.db2.gz DLZNPFJQETVTAB-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625771573 344067020 /nfs/dbraw/zinc/06/70/20/344067020.db2.gz NPUVWJBTRDHYOU-KGLIPLIRSA-N 1 0 239.428 3.537 20 0 BHADRO FC1(F)CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000625771604 344067180 /nfs/dbraw/zinc/06/71/80/344067180.db2.gz HQXZYOMNIXAZSR-UHFFFAOYSA-N 1 0 243.341 3.998 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625771681 344067174 /nfs/dbraw/zinc/06/71/74/344067174.db2.gz FXFOBBBCVWTCLA-CFVMTHIKSA-N 1 0 247.407 3.718 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625771682 344067026 /nfs/dbraw/zinc/06/70/26/344067026.db2.gz FXFOBBBCVWTCLA-YUELXQCFSA-N 1 0 247.407 3.718 20 0 BHADRO FC1(F)CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000625771728 344067050 /nfs/dbraw/zinc/06/70/50/344067050.db2.gz JIBZUPLUHQRCKL-FRRDWIJNSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000625771730 344067003 /nfs/dbraw/zinc/06/70/03/344067003.db2.gz JIBZUPLUHQRCKL-UPJWGTAASA-N 1 0 243.341 3.544 20 0 BHADRO C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)C1CCCC1 ZINC000625773027 344070605 /nfs/dbraw/zinc/07/06/05/344070605.db2.gz HXPLZIGFYKIMKQ-KGLIPLIRSA-N 1 0 239.428 3.537 20 0 BHADRO FC1(F)CCC[N@H+](CCCC2CCC2)CC1 ZINC000625773580 344070388 /nfs/dbraw/zinc/07/03/88/344070388.db2.gz XRAIJEIXZYRUEJ-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO C(CC1CCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625779499 344069554 /nfs/dbraw/zinc/06/95/54/344069554.db2.gz VHZRUSJBLADHAI-KGLIPLIRSA-N 1 0 239.428 3.537 20 0 BHADRO CCCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785516 344073853 /nfs/dbraw/zinc/07/38/53/344073853.db2.gz ONAVOHGMGFWWFH-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785518 344074087 /nfs/dbraw/zinc/07/40/87/344074087.db2.gz ONAVOHGMGFWWFH-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CC/C=C/CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785744 344074074 /nfs/dbraw/zinc/07/40/74/344074074.db2.gz GXJNLQFEBIUKNK-CWDCEQMOSA-N 1 0 244.382 3.869 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785747 344074182 /nfs/dbraw/zinc/07/41/82/344074182.db2.gz GXJNLQFEBIUKNK-MJSXRHKHSA-N 1 0 244.382 3.869 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785750 344074013 /nfs/dbraw/zinc/07/40/13/344074013.db2.gz GXJNLQFEBIUKNK-QDLOVBKTSA-N 1 0 244.382 3.869 20 0 BHADRO CC/C=C\CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785752 344073870 /nfs/dbraw/zinc/07/38/70/344073870.db2.gz GXJNLQFEBIUKNK-QGZUEGPWSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)=CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625786200 344074180 /nfs/dbraw/zinc/07/41/80/344074180.db2.gz DMYBJXUXZVKWCY-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625786202 344073923 /nfs/dbraw/zinc/07/39/23/344073923.db2.gz DMYBJXUXZVKWCY-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO CC1(C[NH2+][C@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786442 344074147 /nfs/dbraw/zinc/07/41/47/344074147.db2.gz NZZLEXJNVSDSIT-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C[NH2+][C@@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786444 344074045 /nfs/dbraw/zinc/07/40/45/344074045.db2.gz NZZLEXJNVSDSIT-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO C1=C(C[NH2+][C@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786449 344073892 /nfs/dbraw/zinc/07/38/92/344073892.db2.gz HLRYUQBKJOZCAP-INIZCTEOSA-N 1 0 242.366 3.623 20 0 BHADRO C1=C(C[NH2+][C@@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786451 344074192 /nfs/dbraw/zinc/07/41/92/344074192.db2.gz HLRYUQBKJOZCAP-MRXNPFEDSA-N 1 0 242.366 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+]CCC2CCC2)C2CCC2)nc1 ZINC000625787444 344074705 /nfs/dbraw/zinc/07/47/05/344074705.db2.gz WZYFMTKAUDYCMM-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CCC2CCC2)C2CCC2)nc1 ZINC000625787445 344074692 /nfs/dbraw/zinc/07/46/92/344074692.db2.gz WZYFMTKAUDYCMM-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CSc1ccc(C[NH+](C2CC2)C2CC2)cc1 ZINC000625837050 344090194 /nfs/dbraw/zinc/09/01/94/344090194.db2.gz KOEOHIMMUXASAY-UHFFFAOYSA-N 1 0 233.380 3.535 20 0 BHADRO CC(C)Oc1cccc(C[NH+](C2CC2)C2CC2)c1 ZINC000625837584 344089773 /nfs/dbraw/zinc/08/97/73/344089773.db2.gz LFDZQWWSOCCFJC-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO CC(C)Oc1ccccc1C[NH+](C1CC1)C1CC1 ZINC000625837896 344090593 /nfs/dbraw/zinc/09/05/93/344090593.db2.gz PNZBOKSILNFNFZ-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO Clc1ccc(C[NH+](C2CC2)C2CC2)s1 ZINC000625838096 344090586 /nfs/dbraw/zinc/09/05/86/344090586.db2.gz VGEPTQANDRALCP-UHFFFAOYSA-N 1 0 227.760 3.528 20 0 BHADRO Clc1ccccc1CC[NH+](C1CC1)C1CC1 ZINC000625838287 344090451 /nfs/dbraw/zinc/09/04/51/344090451.db2.gz XUGSCRGOKVULEE-UHFFFAOYSA-N 1 0 235.758 3.509 20 0 BHADRO c1c2ccccc2oc1C[NH+](C1CC1)C1CC1 ZINC000625838371 344091181 /nfs/dbraw/zinc/09/11/81/344091181.db2.gz BFLBJMHJIZDHLE-UHFFFAOYSA-N 1 0 227.307 3.560 20 0 BHADRO C1=C(CC[NH+](C2CC2)C2CC2)CCCC1 ZINC000625840832 344091724 /nfs/dbraw/zinc/09/17/24/344091724.db2.gz CEWXCIOWHKWSMO-UHFFFAOYSA-N 1 0 205.345 3.504 20 0 BHADRO Fc1cc(C[NH+](C2CC2)C2CC2)ccc1Cl ZINC000625840895 344092116 /nfs/dbraw/zinc/09/21/16/344092116.db2.gz ABDIWCQZTIOJES-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO FC(F)c1ccc(C[NH+](C2CC2)C2CC2)cc1 ZINC000625840990 344092653 /nfs/dbraw/zinc/09/26/53/344092653.db2.gz BDEYQLYPBSNLCR-UHFFFAOYSA-N 1 0 237.293 3.751 20 0 BHADRO Clc1ccc(CC[NH+](C2CC2)C2CC2)cc1 ZINC000625841550 344093405 /nfs/dbraw/zinc/09/34/05/344093405.db2.gz NIYOKRMWOFMDIS-UHFFFAOYSA-N 1 0 235.758 3.509 20 0 BHADRO C(=C/c1ccccc1)\CC[NH+](C1CC1)C1CC1 ZINC000625841645 344093409 /nfs/dbraw/zinc/09/34/09/344093409.db2.gz PCOVKBBJFWIBFQ-XBXARRHUSA-N 1 0 227.351 3.717 20 0 BHADRO C(=C\c1ccccc1)\CC[NH+](C1CC1)C1CC1 ZINC000625841650 344093051 /nfs/dbraw/zinc/09/30/51/344093051.db2.gz PCOVKBBJFWIBFQ-YWEYNIOJSA-N 1 0 227.351 3.717 20 0 BHADRO CSc1cccc(C[NH+](C2CC2)C2CC2)c1 ZINC000625842069 344093017 /nfs/dbraw/zinc/09/30/17/344093017.db2.gz NVBOQBAYPKJEHP-UHFFFAOYSA-N 1 0 233.380 3.535 20 0 BHADRO FC(F)c1cccc(C[NH+](C2CC2)C2CC2)c1 ZINC000625842098 344093356 /nfs/dbraw/zinc/09/33/56/344093356.db2.gz VPOUSNWQUMCFBC-UHFFFAOYSA-N 1 0 237.293 3.751 20 0 BHADRO Cc1nc(C(C)C)ccc1C[NH+](C1CC1)C1CC1 ZINC000625842129 344093950 /nfs/dbraw/zinc/09/39/50/344093950.db2.gz XEXMWXFDKOEBLU-UHFFFAOYSA-N 1 0 244.382 3.640 20 0 BHADRO Fc1ccc(Cl)cc1C[NH+](C1CC1)C1CC1 ZINC000625842437 344093608 /nfs/dbraw/zinc/09/36/08/344093608.db2.gz JJBKLEGTZVYPML-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CSc1ccccc1C[NH+](C1CC1)C1CC1 ZINC000625843320 344094173 /nfs/dbraw/zinc/09/41/73/344094173.db2.gz SVVHUNXLTJQABH-UHFFFAOYSA-N 1 0 233.380 3.535 20 0 BHADRO Fc1cc(Cl)ccc1C[NH+](C1CC1)C1CC1 ZINC000625843442 344094251 /nfs/dbraw/zinc/09/42/51/344094251.db2.gz VHNLIWIZSWBPLQ-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO Fc1c(Cl)cccc1C[NH+](C1CC1)C1CC1 ZINC000625843521 344094281 /nfs/dbraw/zinc/09/42/81/344094281.db2.gz XCLZTRIHZRHBKC-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO Fc1ccc(C[NH+](C2CC2)C2CC2)cc1Cl ZINC000625843540 344094306 /nfs/dbraw/zinc/09/43/06/344094306.db2.gz XQLWDAKPSCBGOV-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO C[C@H]1CC(F)(F)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000625981051 344647770 /nfs/dbraw/zinc/64/77/70/344647770.db2.gz CPLLUUGHODAKSB-JTQLQIEISA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000625981052 344647672 /nfs/dbraw/zinc/64/76/72/344647672.db2.gz CPLLUUGHODAKSB-SNVBAGLBSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCCC1CCC1 ZINC000625981160 344648189 /nfs/dbraw/zinc/64/81/89/344648189.db2.gz IAUFCCGMXKZPPE-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO C[C@H]1CC(F)(F)CC[N@@H+]1CCCC1CCC1 ZINC000625981161 344648100 /nfs/dbraw/zinc/64/81/00/344648100.db2.gz IAUFCCGMXKZPPE-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000625981412 344645669 /nfs/dbraw/zinc/64/56/69/344645669.db2.gz RVCZHIYEXSVRDC-FVCCEPFGSA-N 1 0 243.341 3.542 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000625981413 344645944 /nfs/dbraw/zinc/64/59/44/344645944.db2.gz RVCZHIYEXSVRDC-LPWJVIDDSA-N 1 0 243.341 3.542 20 0 BHADRO CCC(CC)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625981429 344645638 /nfs/dbraw/zinc/64/56/38/344645638.db2.gz SRSYQUIVFCDGSK-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO CCC(CC)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625981430 344645757 /nfs/dbraw/zinc/64/57/57/344645757.db2.gz SRSYQUIVFCDGSK-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000625981630 344649236 /nfs/dbraw/zinc/64/92/36/344649236.db2.gz ZNYIWBWLYMGXHX-LLVKDONJSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@H]1CC(F)(F)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000625981631 344649430 /nfs/dbraw/zinc/64/94/30/344649430.db2.gz ZNYIWBWLYMGXHX-NSHDSACASA-N 1 0 245.357 3.932 20 0 BHADRO COc1cccc2c1C[N@H+](CCCC1CCC1)C2 ZINC000626023418 344678530 /nfs/dbraw/zinc/67/85/30/344678530.db2.gz GVABOEQBPYAIHB-UHFFFAOYSA-N 1 0 245.366 3.591 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103266 344740356 /nfs/dbraw/zinc/74/03/56/344740356.db2.gz RZCXFOQDQGSJFR-DYEKYZERSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103267 344740536 /nfs/dbraw/zinc/74/05/36/344740536.db2.gz RZCXFOQDQGSJFR-OBJOEFQTSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@]12CCCC[C@H]1C[N@@H+]2CCCCC(F)(F)F 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/nfs/dbraw/zinc/90/60/40/344906040.db2.gz PVPPSLGENBTVSR-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628177396 344905294 /nfs/dbraw/zinc/90/52/94/344905294.db2.gz XDKIGWNFPVOFIP-AWEZNQCLSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628177397 344905243 /nfs/dbraw/zinc/90/52/43/344905243.db2.gz XDKIGWNFPVOFIP-CQSZACIVSA-N 1 0 248.370 3.563 20 0 BHADRO Cc1ccc([C@H](C)C[N@H+](C)C2CCC2)cc1 ZINC000628177506 344906663 /nfs/dbraw/zinc/90/66/63/344906663.db2.gz BEKSEORNGAPCFF-CYBMUJFWSA-N 1 0 217.356 3.583 20 0 BHADRO Cc1ccc([C@@H](C)C[N@H+](C)C2CCC2)cc1 ZINC000628177507 344906452 /nfs/dbraw/zinc/90/64/52/344906452.db2.gz BEKSEORNGAPCFF-ZDUSSCGKSA-N 1 0 217.356 3.583 20 0 BHADRO C[N@H+](Cc1csc(C(F)(F)F)c1)C1CCC1 ZINC000628177577 344906427 /nfs/dbraw/zinc/90/64/27/344906427.db2.gz FQLUUOSLTBISGD-UHFFFAOYSA-N 1 0 249.301 3.751 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628179233 344914531 /nfs/dbraw/zinc/91/45/31/344914531.db2.gz SSCNOODOCABOCG-NEPJUHHUSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628179234 344914264 /nfs/dbraw/zinc/91/42/64/344914264.db2.gz SSCNOODOCABOCG-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628179235 344914014 /nfs/dbraw/zinc/91/40/14/344914014.db2.gz SSCNOODOCABOCG-RYUDHWBXSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628179236 344914172 /nfs/dbraw/zinc/91/41/72/344914172.db2.gz SSCNOODOCABOCG-VXGBXAGGSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628179840 344916394 /nfs/dbraw/zinc/91/63/94/344916394.db2.gz QMKQKDAKOKXVJO-CYBMUJFWSA-N 1 0 248.370 3.707 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628179841 344916362 /nfs/dbraw/zinc/91/63/62/344916362.db2.gz QMKQKDAKOKXVJO-ZDUSSCGKSA-N 1 0 248.370 3.707 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)CC1 ZINC000628180332 344918009 /nfs/dbraw/zinc/91/80/09/344918009.db2.gz LBDVSBKQMIGROB-GFCCVEGCSA-N 1 0 248.370 3.564 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)CC1 ZINC000628180333 344918263 /nfs/dbraw/zinc/91/82/63/344918263.db2.gz LBDVSBKQMIGROB-LBPRGKRZSA-N 1 0 248.370 3.564 20 0 BHADRO Cc1c[nH]c(C[N@H+]2CCCCC[C@H]2CC(C)C)n1 ZINC000628181365 344920954 /nfs/dbraw/zinc/92/09/54/344920954.db2.gz AQOMUWMZTDSGKV-AWEZNQCLSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1c[nH]c(C[N@H+]2CCCCC[C@@H]2CC(C)C)n1 ZINC000628181366 344920895 /nfs/dbraw/zinc/92/08/95/344920895.db2.gz AQOMUWMZTDSGKV-CQSZACIVSA-N 1 0 249.402 3.509 20 0 BHADRO CC(C)[N@H+](Cc1ccc2[nH]ccc2c1)C1CCC1 ZINC000628183335 344929692 /nfs/dbraw/zinc/92/96/92/344929692.db2.gz XRYFEMXOSQBTTQ-UHFFFAOYSA-N 1 0 242.366 3.931 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cnc(C3CC3)o2)CC1 ZINC000628183513 344931872 /nfs/dbraw/zinc/93/18/72/344931872.db2.gz FHEBJHQNJRNXJU-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO C[C@]1(C[NH+]2C3CCCC2CCC3)CCCS1 ZINC000628184713 344933815 /nfs/dbraw/zinc/93/38/15/344933815.db2.gz WEIFVCXNKFWRNK-JXQTWKCFSA-N 1 0 239.428 3.679 20 0 BHADRO C[C@@]1(C[NH+]2C3CCCC2CCC3)CCCS1 ZINC000628184714 344933952 /nfs/dbraw/zinc/93/39/52/344933952.db2.gz WEIFVCXNKFWRNK-RUXDESIVSA-N 1 0 239.428 3.679 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628184918 344933256 /nfs/dbraw/zinc/93/32/56/344933256.db2.gz DCJBTEYAHQWGLH-GFCCVEGCSA-N 1 0 248.370 3.564 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628184919 344932992 /nfs/dbraw/zinc/93/29/92/344932992.db2.gz DCJBTEYAHQWGLH-LBPRGKRZSA-N 1 0 248.370 3.564 20 0 BHADRO CCC(CC)[N@@H+](Cc1cnc(C)o1)CC(C)C ZINC000628188099 344940545 /nfs/dbraw/zinc/94/05/45/344940545.db2.gz NRPOHQFIOOWQTM-UHFFFAOYSA-N 1 0 238.375 3.630 20 0 BHADRO Cc1ccc([C@@H](C)C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000628188259 344940972 /nfs/dbraw/zinc/94/09/72/344940972.db2.gz UDEUTTUQOIHRJZ-AWEZNQCLSA-N 1 0 242.366 3.559 20 0 BHADRO Cc1ccc([C@H](C)C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000628188260 344941074 /nfs/dbraw/zinc/94/10/74/344941074.db2.gz UDEUTTUQOIHRJZ-CQSZACIVSA-N 1 0 242.366 3.559 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc2[nH]ccc2c1)C1(C)CC1 ZINC000628189716 344942517 /nfs/dbraw/zinc/94/25/17/344942517.db2.gz KQXWZCJPKSATAP-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc2[nH]ccc2c1)C1(C)CC1 ZINC000628189717 344942253 /nfs/dbraw/zinc/94/22/53/344942253.db2.gz KQXWZCJPKSATAP-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO Cc1c[nH]c(C[N@H+]2CCCC[C@H]2CCC(C)C)n1 ZINC000628190347 344943766 /nfs/dbraw/zinc/94/37/66/344943766.db2.gz CULGZJKKVNRGLR-AWEZNQCLSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1c[nH]c(C[N@H+]2CCCC[C@@H]2CCC(C)C)n1 ZINC000628190348 344943640 /nfs/dbraw/zinc/94/36/40/344943640.db2.gz CULGZJKKVNRGLR-CQSZACIVSA-N 1 0 249.402 3.509 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc2[nH]ccc2c1 ZINC000628190353 344943689 /nfs/dbraw/zinc/94/36/89/344943689.db2.gz DCCFWJORQYQICE-RYUDHWBXSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628190354 344943734 /nfs/dbraw/zinc/94/37/34/344943734.db2.gz DCCFWJORQYQICE-TXEJJXNPSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2[nH]ccc2c1 ZINC000628190355 344943722 /nfs/dbraw/zinc/94/37/22/344943722.db2.gz DCCFWJORQYQICE-VXGBXAGGSA-N 1 0 228.339 3.541 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628190744 344944184 /nfs/dbraw/zinc/94/41/84/344944184.db2.gz OWMRDWIUGZEOES-AWEZNQCLSA-N 1 0 249.402 3.571 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628190745 344944334 /nfs/dbraw/zinc/94/43/34/344944334.db2.gz OWMRDWIUGZEOES-CQSZACIVSA-N 1 0 249.402 3.571 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc2cc[nH]c2c1 ZINC000628190751 344944473 /nfs/dbraw/zinc/94/44/73/344944473.db2.gz PCWAKIWZKDOIMB-RYUDHWBXSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000628190752 344944431 /nfs/dbraw/zinc/94/44/31/344944431.db2.gz PCWAKIWZKDOIMB-TXEJJXNPSA-N 1 0 228.339 3.541 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2cc[nH]c2c1 ZINC000628190753 344944272 /nfs/dbraw/zinc/94/42/72/344944272.db2.gz PCWAKIWZKDOIMB-VXGBXAGGSA-N 1 0 228.339 3.541 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000628190999 344944200 /nfs/dbraw/zinc/94/42/00/344944200.db2.gz WZWSKYNSLSMAEW-CYBMUJFWSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000628191000 344944253 /nfs/dbraw/zinc/94/42/53/344944253.db2.gz WZWSKYNSLSMAEW-ZDUSSCGKSA-N 1 0 236.359 3.528 20 0 BHADRO c1nc(C2CC2)oc1C[NH2+]CCCC1CCCC1 ZINC000628198813 344964596 /nfs/dbraw/zinc/96/45/96/344964596.db2.gz MIMQNSDOHBJRDM-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628199327 344969301 /nfs/dbraw/zinc/96/93/01/344969301.db2.gz NCXLFPRTTHHWLF-GHMZBOCLSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628199328 344969539 /nfs/dbraw/zinc/96/95/39/344969539.db2.gz NCXLFPRTTHHWLF-MNOVXSKESA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628199329 344969202 /nfs/dbraw/zinc/96/92/02/344969202.db2.gz NCXLFPRTTHHWLF-QWRGUYRKSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628199330 344969390 /nfs/dbraw/zinc/96/93/90/344969390.db2.gz NCXLFPRTTHHWLF-WDEREUQCSA-N 1 0 233.346 3.835 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCc2ccco2)cc1 ZINC000628199894 344967482 /nfs/dbraw/zinc/96/74/82/344967482.db2.gz NLUUNUTUPYIKRT-AWEZNQCLSA-N 1 0 243.350 3.524 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCc2ccco2)cc1 ZINC000628199895 344968197 /nfs/dbraw/zinc/96/81/97/344968197.db2.gz NLUUNUTUPYIKRT-CQSZACIVSA-N 1 0 243.350 3.524 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCCOC(C)C)cc1 ZINC000628200009 344968239 /nfs/dbraw/zinc/96/82/39/344968239.db2.gz UDYISHHPOBEZCK-HNNXBMFYSA-N 1 0 249.398 3.503 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCCOC(C)C)cc1 ZINC000628200010 344968122 /nfs/dbraw/zinc/96/81/22/344968122.db2.gz UDYISHHPOBEZCK-OAHLLOKOSA-N 1 0 249.398 3.503 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@H](C)CCCC(C)C)o1 ZINC000628200048 344967876 /nfs/dbraw/zinc/96/78/76/344967876.db2.gz VLTVIULTXLTDTL-LLVKDONJSA-N 1 0 238.375 3.596 20 0 BHADRO Cc1nc(C)c(C[NH2+][C@@H](C)CCCC(C)C)o1 ZINC000628200049 344967961 /nfs/dbraw/zinc/96/79/61/344967961.db2.gz VLTVIULTXLTDTL-NSHDSACASA-N 1 0 238.375 3.596 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)C1CC(F)(F)C1 ZINC000628200100 344968180 /nfs/dbraw/zinc/96/81/80/344968180.db2.gz XZAKROJKPYWTHG-BDAKNGLRSA-N 1 0 245.338 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1cccs1 ZINC000628200102 344967922 /nfs/dbraw/zinc/96/79/22/344967922.db2.gz XZAKROJKPYWTHG-IUCAKERBSA-N 1 0 245.338 3.833 20 0 BHADRO c1nc(C2CC2)oc1C[NH2+]CCC1=CCCCC1 ZINC000628200795 344974010 /nfs/dbraw/zinc/97/40/10/344974010.db2.gz BBCFUCQEVMZXBI-UHFFFAOYSA-N 1 0 246.354 3.532 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)C1CC(F)(F)C1 ZINC000628201426 344976685 /nfs/dbraw/zinc/97/66/85/344976685.db2.gz FOHLKWGGYNIOIQ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)C1CC(F)(F)C1 ZINC000628201427 344976696 /nfs/dbraw/zinc/97/66/96/344976696.db2.gz FOHLKWGGYNIOIQ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCOCCCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628205672 345133405 /nfs/dbraw/zinc/13/34/05/345133405.db2.gz ZERPRXSVHBTVBF-HNNXBMFYSA-N 1 0 249.398 3.505 20 0 BHADRO CCOCCCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628205673 345133045 /nfs/dbraw/zinc/13/30/45/345133045.db2.gz ZERPRXSVHBTVBF-OAHLLOKOSA-N 1 0 249.398 3.505 20 0 BHADRO COCCCCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628210228 345812171 /nfs/dbraw/zinc/81/21/71/345812171.db2.gz MNXINXWWQJDQTA-HNNXBMFYSA-N 1 0 249.398 3.505 20 0 BHADRO COCCCCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628210229 345812573 /nfs/dbraw/zinc/81/25/73/345812573.db2.gz MNXINXWWQJDQTA-OAHLLOKOSA-N 1 0 249.398 3.505 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCOC(C)(C)C)cc1 ZINC000628210393 345811188 /nfs/dbraw/zinc/81/11/88/345811188.db2.gz VHHGVCDFGMRZLZ-AWEZNQCLSA-N 1 0 249.398 3.503 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCOC(C)(C)C)cc1 ZINC000628210394 345811221 /nfs/dbraw/zinc/81/12/21/345811221.db2.gz VHHGVCDFGMRZLZ-CQSZACIVSA-N 1 0 249.398 3.503 20 0 BHADRO CC1CCC(C)([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628212058 345854395 /nfs/dbraw/zinc/85/43/95/345854395.db2.gz DMPLPHIRDQNFOF-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1nc(C)c(C[NH2+]CCCCC(C)(C)C)o1 ZINC000628213512 345873795 /nfs/dbraw/zinc/87/37/95/345873795.db2.gz MYNXIFLWSJFGGB-UHFFFAOYSA-N 1 0 238.375 3.597 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628217135 345930018 /nfs/dbraw/zinc/93/00/18/345930018.db2.gz LVPHKMWDOUDHIN-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)C1CC(F)(F)C1 ZINC000628218018 345946255 /nfs/dbraw/zinc/94/62/55/345946255.db2.gz QFNHCRISRBVVKE-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)C1CC(F)(F)C1 ZINC000628218019 345946291 /nfs/dbraw/zinc/94/62/91/345946291.db2.gz QFNHCRISRBVVKE-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628222176 345960057 /nfs/dbraw/zinc/96/00/57/345960057.db2.gz ISKRJXDYLHQMTB-AXFHLTTASA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628222177 345959921 /nfs/dbraw/zinc/95/99/21/345959921.db2.gz ISKRJXDYLHQMTB-DCAQKATOSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628222178 345959872 /nfs/dbraw/zinc/95/98/72/345959872.db2.gz ISKRJXDYLHQMTB-GARJFASQSA-N 1 0 233.346 3.835 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628222179 345959758 /nfs/dbraw/zinc/95/97/58/345959758.db2.gz ISKRJXDYLHQMTB-HBNTYKKESA-N 1 0 233.346 3.835 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCC(F)(F)F)cc1 ZINC000628222351 345960382 /nfs/dbraw/zinc/96/03/82/345960382.db2.gz NWHKSOCKDFTLDT-LLVKDONJSA-N 1 0 245.288 3.641 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCC(F)(F)F)cc1 ZINC000628222352 345960499 /nfs/dbraw/zinc/96/04/99/345960499.db2.gz NWHKSOCKDFTLDT-NSHDSACASA-N 1 0 245.288 3.641 20 0 BHADRO COCCC(C)(C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628225101 346171866 /nfs/dbraw/zinc/17/18/66/346171866.db2.gz LLJKJQSBEDCMBK-AWEZNQCLSA-N 1 0 249.398 3.503 20 0 BHADRO COCCC(C)(C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628225102 346172211 /nfs/dbraw/zinc/17/22/11/346172211.db2.gz LLJKJQSBEDCMBK-CQSZACIVSA-N 1 0 249.398 3.503 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1oc(C)nc1C ZINC000628227371 346175637 /nfs/dbraw/zinc/17/56/37/346175637.db2.gz CRIYAROVPCZYGW-CYBMUJFWSA-N 1 0 238.375 3.740 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1oc(C)nc1C ZINC000628227372 346175692 /nfs/dbraw/zinc/17/56/92/346175692.db2.gz CRIYAROVPCZYGW-ZDUSSCGKSA-N 1 0 238.375 3.740 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2(C3CC3)CC2)cc1 ZINC000628227966 346176036 /nfs/dbraw/zinc/17/60/36/346176036.db2.gz ZFCWBESVXQJDJC-CYBMUJFWSA-N 1 0 229.367 3.631 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2(C3CC3)CC2)cc1 ZINC000628227967 346176065 /nfs/dbraw/zinc/17/60/65/346176065.db2.gz ZFCWBESVXQJDJC-ZDUSSCGKSA-N 1 0 229.367 3.631 20 0 BHADRO CCC1(C[NH2+]Cc2cnc(C3CC3)o2)CCCC1 ZINC000628228118 346181009 /nfs/dbraw/zinc/18/10/09/346181009.db2.gz DFJRZIQIVBGOKS-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000628228393 346180654 /nfs/dbraw/zinc/18/06/54/346180654.db2.gz NAKBSTRYXNHPIP-LLVKDONJSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000628228394 346180919 /nfs/dbraw/zinc/18/09/19/346180919.db2.gz NAKBSTRYXNHPIP-NSHDSACASA-N 1 0 245.357 3.836 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CCC1 ZINC000628228489 346180865 /nfs/dbraw/zinc/18/08/65/346180865.db2.gz QCXUBQHGGAJFQW-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CCC1 ZINC000628228490 346180726 /nfs/dbraw/zinc/18/07/26/346180726.db2.gz QCXUBQHGGAJFQW-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1(C[NH2+]Cc2cnc(C3CC3)o2)CCC1 ZINC000628228534 346181654 /nfs/dbraw/zinc/18/16/54/346181654.db2.gz RTSYXHIDOXHZQJ-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCCS2)cc1 ZINC000628228577 346181478 /nfs/dbraw/zinc/18/14/78/346181478.db2.gz SQIUGAGOOOFLTK-DZGCQCFKSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000628228578 346181532 /nfs/dbraw/zinc/18/15/32/346181532.db2.gz SQIUGAGOOOFLTK-HIFRSBDPSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCCS2)cc1 ZINC000628228579 346181467 /nfs/dbraw/zinc/18/14/67/346181467.db2.gz SQIUGAGOOOFLTK-UKRRQHHQSA-N 1 0 249.423 3.584 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000628228580 346181697 /nfs/dbraw/zinc/18/16/97/346181697.db2.gz SQIUGAGOOOFLTK-ZFWWWQNUSA-N 1 0 249.423 3.584 20 0 BHADRO CC(C)C([NH2+][C@@H](C)C1CC(F)(F)C1)C(C)C ZINC000628228773 346177934 /nfs/dbraw/zinc/17/79/34/346177934.db2.gz ADPMVASREYMIPA-JTQLQIEISA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C([NH2+][C@H](C)C1CC(F)(F)C1)C(C)C ZINC000628228774 346177795 /nfs/dbraw/zinc/17/77/95/346177795.db2.gz ADPMVASREYMIPA-SNVBAGLBSA-N 1 0 233.346 3.690 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+]C1CC=CC1 ZINC000628228992 346178008 /nfs/dbraw/zinc/17/80/08/346178008.db2.gz GQMPYAYFBDZYLO-UHFFFAOYSA-N 1 0 247.285 3.575 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+]Cc1cnc(C)o1 ZINC000628229230 346177756 /nfs/dbraw/zinc/17/77/56/346177756.db2.gz NGKPYEFBAWZWRK-CYBMUJFWSA-N 1 0 238.375 3.679 20 0 BHADRO CCCC[C@H](CCC)C[NH2+]Cc1cnc(C)o1 ZINC000628229231 346178361 /nfs/dbraw/zinc/17/83/61/346178361.db2.gz NGKPYEFBAWZWRK-ZDUSSCGKSA-N 1 0 238.375 3.679 20 0 BHADRO CC1(C[NH2+]Cc2cnc(C3CC3)o2)CCCCC1 ZINC000628229280 346178591 /nfs/dbraw/zinc/17/85/91/346178591.db2.gz PGALJKHNNBHSJO-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000628229431 346178322 /nfs/dbraw/zinc/17/83/22/346178322.db2.gz VESLMGUQMVOIQL-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000628229432 346178252 /nfs/dbraw/zinc/17/82/52/346178252.db2.gz VESLMGUQMVOIQL-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2(C)CCC2)cc1 ZINC000628234390 346187973 /nfs/dbraw/zinc/18/79/73/346187973.db2.gz YCNFCQUBSGRDBE-CYBMUJFWSA-N 1 0 217.356 3.631 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2(C)CCC2)cc1 ZINC000628234391 346187549 /nfs/dbraw/zinc/18/75/49/346187549.db2.gz YCNFCQUBSGRDBE-ZDUSSCGKSA-N 1 0 217.356 3.631 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628237959 346194868 /nfs/dbraw/zinc/19/48/68/346194868.db2.gz FZHNEWFIGFJHKQ-CYBMUJFWSA-N 1 0 248.370 3.707 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628237960 346195011 /nfs/dbraw/zinc/19/50/11/346195011.db2.gz FZHNEWFIGFJHKQ-ZDUSSCGKSA-N 1 0 248.370 3.707 20 0 BHADRO c1cc2cc(C[N@@H+]3CCCC4(CC4)C3)ccc2[nH]1 ZINC000628240527 346202799 /nfs/dbraw/zinc/20/27/99/346202799.db2.gz IRUWUTDHWKGBPV-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO Cc1ncc(C[NH2+]CC(C)(C)C2=CCCCC2)o1 ZINC000628240826 346203396 /nfs/dbraw/zinc/20/33/96/346203396.db2.gz VRMBOBYOJUHAIJ-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000628242215 346201731 /nfs/dbraw/zinc/20/17/31/346201731.db2.gz WOANTSXBXXEUKM-BBRMVZONSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000628242216 346202036 /nfs/dbraw/zinc/20/20/36/346202036.db2.gz WOANTSXBXXEUKM-CJNGLKHVSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@H]4CCC[C@H]43)ccc2[nH]1 ZINC000628242217 346201785 /nfs/dbraw/zinc/20/17/85/346201785.db2.gz WOANTSXBXXEUKM-CZUORRHYSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2cc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)ccc2[nH]1 ZINC000628242218 346201868 /nfs/dbraw/zinc/20/18/68/346201868.db2.gz WOANTSXBXXEUKM-XJKSGUPXSA-N 1 0 240.350 3.542 20 0 BHADRO CCOC(C)(C)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628243740 346207523 /nfs/dbraw/zinc/20/75/23/346207523.db2.gz FRIADKRUMHRMDE-AWEZNQCLSA-N 1 0 249.398 3.503 20 0 BHADRO CCOC(C)(C)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628243741 346207387 /nfs/dbraw/zinc/20/73/87/346207387.db2.gz FRIADKRUMHRMDE-CQSZACIVSA-N 1 0 249.398 3.503 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628245417 346208418 /nfs/dbraw/zinc/20/84/18/346208418.db2.gz WKCNOYLFMXEVJZ-AAEUAGOBSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628245418 346208249 /nfs/dbraw/zinc/20/82/49/346208249.db2.gz WKCNOYLFMXEVJZ-DGCLKSJQSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628245419 346208540 /nfs/dbraw/zinc/20/85/40/346208540.db2.gz WKCNOYLFMXEVJZ-WCQYABFASA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628245420 346208255 /nfs/dbraw/zinc/20/82/55/346208255.db2.gz WKCNOYLFMXEVJZ-YPMHNXCESA-N 1 0 248.370 3.610 20 0 BHADRO Cc1ncc(C[NH2+]CC[C@@H](C)CC(C)(C)C)o1 ZINC000628245477 346208355 /nfs/dbraw/zinc/20/83/55/346208355.db2.gz YNBDCFBCLFUJKM-LLVKDONJSA-N 1 0 238.375 3.535 20 0 BHADRO Cc1ncc(C[NH2+]CC[C@H](C)CC(C)(C)C)o1 ZINC000628245478 346208348 /nfs/dbraw/zinc/20/83/48/346208348.db2.gz YNBDCFBCLFUJKM-NSHDSACASA-N 1 0 238.375 3.535 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2nc(C)c[nH]2)CC1 ZINC000628247556 346215461 /nfs/dbraw/zinc/21/54/61/346215461.db2.gz HGJUIWZHAONIRV-UHFFFAOYSA-N 1 0 249.402 3.510 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2nc(C)c[nH]2)CC1 ZINC000628251498 346221867 /nfs/dbraw/zinc/22/18/67/346221867.db2.gz JBOIXPSSKFUMNL-UHFFFAOYSA-N 1 0 249.402 3.509 20 0 BHADRO CC(C)[N@@H+](Cc1cnc(C2CC2)o1)CC1CCC1 ZINC000628252688 346228583 /nfs/dbraw/zinc/22/85/83/346228583.db2.gz CXTHYGVEBFWMAR-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@]1(C)CCCS1 ZINC000628252956 346227183 /nfs/dbraw/zinc/22/71/83/346227183.db2.gz OYJPJKMEVXSURZ-CHWSQXEVSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@]1(C)CCCS1 ZINC000628252957 346227149 /nfs/dbraw/zinc/22/71/49/346227149.db2.gz OYJPJKMEVXSURZ-OLZOCXBDSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@]1(C)CCCS1 ZINC000628252958 346227283 /nfs/dbraw/zinc/22/72/83/346227283.db2.gz OYJPJKMEVXSURZ-QWHCGFSZSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@]1(C)CCCS1 ZINC000628252959 346227305 /nfs/dbraw/zinc/22/73/05/346227305.db2.gz OYJPJKMEVXSURZ-STQMWFEESA-N 1 0 239.428 3.537 20 0 BHADRO C[N@H+](Cc1ccc2[nH]ccc2c1)C1(C)CCCC1 ZINC000628253955 346234946 /nfs/dbraw/zinc/23/49/46/346234946.db2.gz FPSIZEGMCCZLJZ-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO C[N@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCC(C)(C)C1 ZINC000628255969 346253539 /nfs/dbraw/zinc/25/35/39/346253539.db2.gz DIKTYETWNDXXEQ-GFCCVEGCSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@H+](Cc1cnc(C2CC2)o1)[C@H]1CCC(C)(C)C1 ZINC000628255970 346253738 /nfs/dbraw/zinc/25/37/38/346253738.db2.gz DIKTYETWNDXXEQ-LBPRGKRZSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@]1(C[N@H+](CC2CC2)C2CCC2)CCCS1 ZINC000628257088 346256352 /nfs/dbraw/zinc/25/63/52/346256352.db2.gz ZJIZPTPADOCSBZ-AWEZNQCLSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@]1(C[N@H+](CC2CC2)C2CCC2)CCCS1 ZINC000628257089 346256514 /nfs/dbraw/zinc/25/65/14/346256514.db2.gz ZJIZPTPADOCSBZ-CQSZACIVSA-N 1 0 239.428 3.537 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628257221 346256527 /nfs/dbraw/zinc/25/65/27/346256527.db2.gz FBQZDPHLANKUGY-GFCCVEGCSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628257222 346256203 /nfs/dbraw/zinc/25/62/03/346256203.db2.gz FBQZDPHLANKUGY-LBPRGKRZSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628257356 346256378 /nfs/dbraw/zinc/25/63/78/346256378.db2.gz KFWJZZIKUBZDIQ-UHFFFAOYSA-N 1 0 240.350 3.710 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccsc1 ZINC000628264155 346263694 /nfs/dbraw/zinc/26/36/94/346263694.db2.gz BOEAYQCXYXRRFD-BDAKNGLRSA-N 1 0 245.338 3.833 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C1CC(F)(F)C1 ZINC000628264156 346263819 /nfs/dbraw/zinc/26/38/19/346263819.db2.gz BOEAYQCXYXRRFD-DTWKUNHWSA-N 1 0 245.338 3.833 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccsc1 ZINC000628264157 346263757 /nfs/dbraw/zinc/26/37/57/346263757.db2.gz BOEAYQCXYXRRFD-IUCAKERBSA-N 1 0 245.338 3.833 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccsc1 ZINC000628264158 346263457 /nfs/dbraw/zinc/26/34/57/346263457.db2.gz BOEAYQCXYXRRFD-RKDXNWHRSA-N 1 0 245.338 3.833 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628265640 346264581 /nfs/dbraw/zinc/26/45/81/346264581.db2.gz MDJOECCFDMBGCH-BXUZGUMPSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628265641 346264658 /nfs/dbraw/zinc/26/46/58/346264658.db2.gz MDJOECCFDMBGCH-FZMZJTMJSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628265642 346264492 /nfs/dbraw/zinc/26/44/92/346264492.db2.gz MDJOECCFDMBGCH-RISCZKNCSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628265643 346264599 /nfs/dbraw/zinc/26/45/99/346264599.db2.gz MDJOECCFDMBGCH-SMDDNHRTSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@]1(C[NH+]2CCC3(CCC3)CC2)CCCS1 ZINC000628274816 410580719 /nfs/dbraw/zinc/58/07/19/410580719.db2.gz NFXYJNMELYOKOG-CYBMUJFWSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@@]1(C[NH+]2CCC3(CCC3)CC2)CCCS1 ZINC000628274817 410580269 /nfs/dbraw/zinc/58/02/69/410580269.db2.gz NFXYJNMELYOKOG-ZDUSSCGKSA-N 1 0 239.428 3.538 20 0 BHADRO c1cc2cc(C[NH+]3CC4(C3)CCCC4)ccc2[nH]1 ZINC000628281253 346292777 /nfs/dbraw/zinc/29/27/77/346292777.db2.gz JVJPZQXQPPIACL-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cnc(C2CC2)o1 ZINC000628283538 346293664 /nfs/dbraw/zinc/29/36/64/346293664.db2.gz ZWXXLGRHCLCKBB-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000628287551 346920140 /nfs/dbraw/zinc/92/01/40/346920140.db2.gz CVSIXGYFFBNXFI-GFCCVEGCSA-N 1 0 245.370 3.573 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000628287552 346920233 /nfs/dbraw/zinc/92/02/33/346920233.db2.gz CVSIXGYFFBNXFI-LBPRGKRZSA-N 1 0 245.370 3.573 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628287768 346921871 /nfs/dbraw/zinc/92/18/71/346921871.db2.gz MWLJVRTXKNGDSI-LLVKDONJSA-N 1 0 236.359 3.563 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628287769 346921907 /nfs/dbraw/zinc/92/19/07/346921907.db2.gz MWLJVRTXKNGDSI-NSHDSACASA-N 1 0 236.359 3.563 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628293935 347167635 /nfs/dbraw/zinc/16/76/35/347167635.db2.gz ZAYBHIIYFJBDRY-AULYBMBSSA-N 1 0 248.370 3.610 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628295215 347214522 /nfs/dbraw/zinc/21/45/22/347214522.db2.gz GGELBSHANNVEGE-AWEZNQCLSA-N 1 0 249.398 3.503 20 0 BHADRO CCOCC(C)(C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628295216 347214376 /nfs/dbraw/zinc/21/43/76/347214376.db2.gz GGELBSHANNVEGE-CQSZACIVSA-N 1 0 249.398 3.503 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCC(C)(F)F)cc1 ZINC000628297046 347243182 /nfs/dbraw/zinc/24/31/82/347243182.db2.gz IBCGOQJAZDOZFV-GFCCVEGCSA-N 1 0 241.325 3.733 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCC(C)(F)F)cc1 ZINC000628297047 347243094 /nfs/dbraw/zinc/24/30/94/347243094.db2.gz IBCGOQJAZDOZFV-LBPRGKRZSA-N 1 0 241.325 3.733 20 0 BHADRO CCC1([NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628297591 347258400 /nfs/dbraw/zinc/25/84/00/347258400.db2.gz DIWBGQFPEFKEQN-CYBMUJFWSA-N 1 0 217.356 3.631 20 0 BHADRO CCC1([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628297592 347258901 /nfs/dbraw/zinc/25/89/01/347258901.db2.gz DIWBGQFPEFKEQN-ZDUSSCGKSA-N 1 0 217.356 3.631 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628298381 347316926 /nfs/dbraw/zinc/31/69/26/347316926.db2.gz DBHMNXQKEQBYMF-LLVKDONJSA-N 1 0 236.359 3.516 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628298382 347316513 /nfs/dbraw/zinc/31/65/13/347316513.db2.gz DBHMNXQKEQBYMF-NSHDSACASA-N 1 0 236.359 3.516 20 0 BHADRO CCC1([NH2+]Cc2cnc(C3CC3)o2)CCCCC1 ZINC000628300119 347855048 /nfs/dbraw/zinc/85/50/48/347855048.db2.gz PFRSJYDXKNLUSV-UHFFFAOYSA-N 1 0 248.370 3.755 20 0 BHADRO Cc1nc(C)c(C[NH2+]CC(C)(C)C2=CCCC2)o1 ZINC000628304763 349335444 /nfs/dbraw/zinc/33/54/44/349335444.db2.gz RHJISOKPBQJHME-UHFFFAOYSA-N 1 0 248.370 3.518 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628305396 349500515 /nfs/dbraw/zinc/50/05/15/349500515.db2.gz YZCRGVKJVIGYOQ-ABAIWWIYSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628305397 349500561 /nfs/dbraw/zinc/50/05/61/349500561.db2.gz YZCRGVKJVIGYOQ-IAQYHMDHSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628305398 349500543 /nfs/dbraw/zinc/50/05/43/349500543.db2.gz YZCRGVKJVIGYOQ-NHYWBVRUSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628305399 349500948 /nfs/dbraw/zinc/50/09/48/349500948.db2.gz YZCRGVKJVIGYOQ-XHDPSFHLSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@]1(C[NH+]2CC3(C2)CCCCC3)CCCS1 ZINC000628306317 350117125 /nfs/dbraw/zinc/11/71/25/350117125.db2.gz VTNQXZJKKNPTHD-CYBMUJFWSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@@]1(C[NH+]2CC3(C2)CCCCC3)CCCS1 ZINC000628306318 350116922 /nfs/dbraw/zinc/11/69/22/350116922.db2.gz VTNQXZJKKNPTHD-ZDUSSCGKSA-N 1 0 239.428 3.538 20 0 BHADRO Cc1ccc([C@H](C)C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000628307107 350439277 /nfs/dbraw/zinc/43/92/77/350439277.db2.gz NSJWVIOTVLYNGL-CYBMUJFWSA-N 1 0 247.357 3.532 20 0 BHADRO Cc1ccc([C@@H](C)C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000628307108 350439012 /nfs/dbraw/zinc/43/90/12/350439012.db2.gz NSJWVIOTVLYNGL-ZDUSSCGKSA-N 1 0 247.357 3.532 20 0 BHADRO CC(C)(C)C1C[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628308109 350728694 /nfs/dbraw/zinc/72/86/94/350728694.db2.gz WQKRJVQRAVCCIZ-UHFFFAOYSA-N 1 0 242.366 3.646 20 0 BHADRO C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC(C)(C)C1 ZINC000628308799 350784160 /nfs/dbraw/zinc/78/41/60/350784160.db2.gz LPLRWLUKICVOLW-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CS[C@@H](C)C2)cc1 ZINC000628310969 350810157 /nfs/dbraw/zinc/81/01/57/350810157.db2.gz OQBNYPMCTCCZQT-IPYPFGDCSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CS[C@H](C)C2)cc1 ZINC000628310970 350810179 /nfs/dbraw/zinc/81/01/79/350810179.db2.gz OQBNYPMCTCCZQT-NFAWXSAZSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CS[C@H](C)C2)cc1 ZINC000628310971 350810037 /nfs/dbraw/zinc/81/00/37/350810037.db2.gz OQBNYPMCTCCZQT-UMVBOHGHSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CS[C@@H](C)C2)cc1 ZINC000628310972 350810261 /nfs/dbraw/zinc/81/02/61/350810261.db2.gz OQBNYPMCTCCZQT-VNHYZAJKSA-N 1 0 249.423 3.582 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000628311434 350811889 /nfs/dbraw/zinc/81/18/89/350811889.db2.gz MSDNMYLSTZNDOQ-FDYHWXHSSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000628311435 350811986 /nfs/dbraw/zinc/81/19/86/350811986.db2.gz MSDNMYLSTZNDOQ-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000628311436 350812344 /nfs/dbraw/zinc/81/23/44/350812344.db2.gz MSDNMYLSTZNDOQ-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000628311437 350812000 /nfs/dbraw/zinc/81/20/00/350812000.db2.gz MSDNMYLSTZNDOQ-UMSGYPCISA-N 1 0 245.357 3.836 20 0 BHADRO CC[N@H+](Cc1cnc(C2CC2)o1)C1CC(C)(C)C1 ZINC000628312384 350813457 /nfs/dbraw/zinc/81/34/57/350813457.db2.gz ZLURWOJYWMJTSP-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@]1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CCCS1 ZINC000628321452 351183919 /nfs/dbraw/zinc/18/39/19/351183919.db2.gz INCJIZUIJQCJJG-IHRRRGAJSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@]1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CCCS1 ZINC000628321453 351183558 /nfs/dbraw/zinc/18/35/58/351183558.db2.gz INCJIZUIJQCJJG-MELADBBJSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)C1CC(F)(F)C1 ZINC000628322628 351211744 /nfs/dbraw/zinc/21/17/44/351211744.db2.gz FMWOWMVSQQOYPT-BMQDGWLCSA-N 1 0 249.320 3.538 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)C1CC(F)(F)C1 ZINC000628322629 351211566 /nfs/dbraw/zinc/21/15/66/351211566.db2.gz FMWOWMVSQQOYPT-GRZMOONWSA-N 1 0 249.320 3.538 20 0 BHADRO c1cc2cc(C[N@@H+]3CCC34CCCC4)ccc2[nH]1 ZINC000628323363 351224821 /nfs/dbraw/zinc/22/48/21/351224821.db2.gz PEKLIPZGYPVWGR-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)C1CC(F)(F)C1 ZINC000628324503 351236773 /nfs/dbraw/zinc/23/67/73/351236773.db2.gz WQIUSNPCGZXCLF-JBLDHEPKSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)C1CC(F)(F)C1 ZINC000628324504 351236623 /nfs/dbraw/zinc/23/66/23/351236623.db2.gz WQIUSNPCGZXCLF-JFGNBEQYSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH+]1CC2(CC2(F)F)C1 ZINC000628326809 351260957 /nfs/dbraw/zinc/26/09/57/351260957.db2.gz WWOSIVWZQNTQPR-NEPJUHHUSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH+]1CC2(CC2(F)F)C1 ZINC000628326810 351261135 /nfs/dbraw/zinc/26/11/35/351261135.db2.gz WWOSIVWZQNTQPR-NWDGAFQWSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH+]1CC2(CC2(F)F)C1 ZINC000628326811 351261269 /nfs/dbraw/zinc/26/12/69/351261269.db2.gz WWOSIVWZQNTQPR-RYUDHWBXSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CC2(CC2(F)F)C1 ZINC000628326812 351261528 /nfs/dbraw/zinc/26/15/28/351261528.db2.gz WWOSIVWZQNTQPR-VXGBXAGGSA-N 1 0 243.341 3.544 20 0 BHADRO CCC[N@H+](Cc1ccc2[nH]ccc2c1)C(C)C ZINC000628327139 351263541 /nfs/dbraw/zinc/26/35/41/351263541.db2.gz KATSXRGECCYMEX-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]C2(C)CC=CC2)cc1 ZINC000628327424 351262917 /nfs/dbraw/zinc/26/29/17/351262917.db2.gz YHCTWRWPJCUSER-AWEZNQCLSA-N 1 0 229.367 3.797 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]C2(C)CC=CC2)cc1 ZINC000628327425 351263139 /nfs/dbraw/zinc/26/31/39/351263139.db2.gz YHCTWRWPJCUSER-CQSZACIVSA-N 1 0 229.367 3.797 20 0 BHADRO c1cc2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)cc2[nH]1 ZINC000628328569 351266715 /nfs/dbraw/zinc/26/67/15/351266715.db2.gz QCBYIDQFTZDZRW-HOCLYGCPSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2cc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)ccc2[nH]1 ZINC000628328758 351267279 /nfs/dbraw/zinc/26/72/79/351267279.db2.gz UZXBETSIAODPLX-HOCLYGCPSA-N 1 0 240.350 3.542 20 0 BHADRO Cc1ncc(C[N@@H+]2CCC[C@H]2CC2CCCC2)o1 ZINC000628328898 351267639 /nfs/dbraw/zinc/26/76/39/351267639.db2.gz YQRFJFSKODOETN-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ncc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)o1 ZINC000628328899 351267704 /nfs/dbraw/zinc/26/77/04/351267704.db2.gz YQRFJFSKODOETN-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000628336124 351279254 /nfs/dbraw/zinc/27/92/54/351279254.db2.gz AJKOVBBZMSUIFZ-FVQBIDKESA-N 1 0 229.367 3.631 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000628336125 351278943 /nfs/dbraw/zinc/27/89/43/351278943.db2.gz AJKOVBBZMSUIFZ-KBMXLJTQSA-N 1 0 229.367 3.631 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628337837 351281261 /nfs/dbraw/zinc/28/12/61/351281261.db2.gz SLWLXDKPGJDKOM-NXEZZACHSA-N 1 0 233.346 3.835 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628337838 351281283 /nfs/dbraw/zinc/28/12/83/351281283.db2.gz SLWLXDKPGJDKOM-UWVGGRQHSA-N 1 0 233.346 3.835 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628337839 351281007 /nfs/dbraw/zinc/28/10/07/351281007.db2.gz SLWLXDKPGJDKOM-VHSXEESVSA-N 1 0 233.346 3.835 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628337840 351281011 /nfs/dbraw/zinc/28/10/11/351281011.db2.gz SLWLXDKPGJDKOM-ZJUUUORDSA-N 1 0 233.346 3.835 20 0 BHADRO Cc1ncc(C[N@@H+]2CCCC3(CCCC3)CC2)o1 ZINC000628337959 351281120 /nfs/dbraw/zinc/28/11/20/351281120.db2.gz VYBPYLYMEJZEKI-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCc2ccoc2)cc1 ZINC000628339031 351282862 /nfs/dbraw/zinc/28/28/62/351282862.db2.gz CTBXPXDELVUUEQ-AWEZNQCLSA-N 1 0 243.350 3.524 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCc2ccoc2)cc1 ZINC000628339032 351282986 /nfs/dbraw/zinc/28/29/86/351282986.db2.gz CTBXPXDELVUUEQ-CQSZACIVSA-N 1 0 243.350 3.524 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+]CCC(C)(C)F)cc1 ZINC000628339548 351283182 /nfs/dbraw/zinc/28/31/82/351283182.db2.gz QGWVUMMYCRKODG-CYBMUJFWSA-N 1 0 237.362 3.826 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+]CCC(C)(C)F)cc1 ZINC000628339549 351282693 /nfs/dbraw/zinc/28/26/93/351282693.db2.gz QGWVUMMYCRKODG-ZDUSSCGKSA-N 1 0 237.362 3.826 20 0 BHADRO C[C@H]([NH2+]CCCC1CCC1)C1CC(F)(F)C1 ZINC000628339782 351283784 /nfs/dbraw/zinc/28/37/84/351283784.db2.gz WJYBBFYMUFIQHS-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCC1)C1CC(F)(F)C1 ZINC000628339783 351283952 /nfs/dbraw/zinc/28/39/52/351283952.db2.gz WJYBBFYMUFIQHS-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1cnc(C)o1 ZINC000628352155 351314298 /nfs/dbraw/zinc/31/42/98/351314298.db2.gz YKYVZFDCQHQPTA-UHFFFAOYSA-N 1 0 238.375 3.631 20 0 BHADRO C[C@H](CCc1ccco1)n1cnc2c1CCCC2 ZINC000628371374 355891478 /nfs/dbraw/zinc/89/14/78/355891478.db2.gz BMDWWTVNZPKPOV-GFCCVEGCSA-N 1 0 244.338 3.549 20 0 BHADRO C[C@@H](CCc1ccco1)n1cnc2c1CCCC2 ZINC000628371375 355891544 /nfs/dbraw/zinc/89/15/44/355891544.db2.gz BMDWWTVNZPKPOV-LBPRGKRZSA-N 1 0 244.338 3.549 20 0 BHADRO C[C@H](CC1CCC1)n1cnc2c1CCCC2 ZINC000628371392 355891641 /nfs/dbraw/zinc/89/16/41/355891641.db2.gz CFPNHBQIFNJQNT-LLVKDONJSA-N 1 0 218.344 3.513 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@@H]1CCCOC1 ZINC000628378645 356667212 /nfs/dbraw/zinc/66/72/12/356667212.db2.gz VVIYZQDPYGMCND-AWEZNQCLSA-N 1 0 241.419 3.609 20 0 BHADRO CCC(CC)(CC)C[NH2+]CC[C@H]1CCCOC1 ZINC000628378646 356666936 /nfs/dbraw/zinc/66/69/36/356666936.db2.gz VVIYZQDPYGMCND-CQSZACIVSA-N 1 0 241.419 3.609 20 0 BHADRO C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@H](C)C1(F)F ZINC000628391330 357187115 /nfs/dbraw/zinc/18/71/15/357187115.db2.gz XPNUWSBGTLXUOZ-FRRDWIJNSA-N 1 0 243.341 3.566 20 0 BHADRO C[C@@H]1C[NH+](C[C@@H]2CC=CCC2)C[C@@H](C)C1(F)F ZINC000628391331 357187052 /nfs/dbraw/zinc/18/70/52/357187052.db2.gz XPNUWSBGTLXUOZ-JHJVBQTASA-N 1 0 243.341 3.566 20 0 BHADRO C[C@@H]1C[NH+](C[C@H]2CC=CCC2)C[C@@H](C)C1(F)F ZINC000628391332 357187162 /nfs/dbraw/zinc/18/71/62/357187162.db2.gz XPNUWSBGTLXUOZ-UPJWGTAASA-N 1 0 243.341 3.566 20 0 BHADRO C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@H](C)C1(F)F ZINC000628391333 357187094 /nfs/dbraw/zinc/18/70/94/357187094.db2.gz XPNUWSBGTLXUOZ-XQQFMLRXSA-N 1 0 243.341 3.566 20 0 BHADRO Clc1oc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628410753 357217227 /nfs/dbraw/zinc/21/72/27/357217227.db2.gz REUHFUCLWFQMDF-AOOOYVTPSA-N 1 0 247.725 3.538 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCCC(F)(F)CC1 ZINC000628422082 357244539 /nfs/dbraw/zinc/24/45/39/357244539.db2.gz LTIKZVSAXHKXMR-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCCC(F)(F)CC1 ZINC000628422083 357244108 /nfs/dbraw/zinc/24/41/08/357244108.db2.gz LTIKZVSAXHKXMR-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000628422286 357243191 /nfs/dbraw/zinc/24/31/91/357243191.db2.gz VWPRLXMTODICQU-UHFFFAOYSA-N 1 0 245.338 3.678 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)s1 ZINC000628422372 357243173 /nfs/dbraw/zinc/24/31/73/357243173.db2.gz ZZDKCXQPOWDRRN-UHFFFAOYSA-N 1 0 245.338 3.678 20 0 BHADRO Cc1sccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000628422502 357245466 /nfs/dbraw/zinc/24/54/66/357245466.db2.gz PFZDWVVBSFXKQJ-UHFFFAOYSA-N 1 0 245.338 3.678 20 0 BHADRO CCCC[C@H](CC)CC[N@H+](C)CC1(C)COC1 ZINC000628424052 357249674 /nfs/dbraw/zinc/24/96/74/357249674.db2.gz VYYUIBUGSKWLRR-AWEZNQCLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)CC[N@H+](C)CC1(C)COC1 ZINC000628424053 357249852 /nfs/dbraw/zinc/24/98/52/357249852.db2.gz VYYUIBUGSKWLRR-CQSZACIVSA-N 1 0 241.419 3.561 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]CCC(C)(C)C)nc1 ZINC000628424353 357250565 /nfs/dbraw/zinc/25/05/65/357250565.db2.gz GDJMQASMHJYMGF-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO CCC(F)(F)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000628435229 357997592 /nfs/dbraw/zinc/99/75/92/357997592.db2.gz COUCWNDWECXFQZ-GFCCVEGCSA-N 1 0 241.325 3.500 20 0 BHADRO CCC(F)(F)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000628435230 357997523 /nfs/dbraw/zinc/99/75/23/357997523.db2.gz COUCWNDWECXFQZ-LBPRGKRZSA-N 1 0 241.325 3.500 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000628451843 358006567 /nfs/dbraw/zinc/00/65/67/358006567.db2.gz BZEIAOFTMFCPMH-NEPJUHHUSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000628451844 358006347 /nfs/dbraw/zinc/00/63/47/358006347.db2.gz BZEIAOFTMFCPMH-NWDGAFQWSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000628451845 358006920 /nfs/dbraw/zinc/00/69/20/358006920.db2.gz BZEIAOFTMFCPMH-RYUDHWBXSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000628451846 358006955 /nfs/dbraw/zinc/00/69/55/358006955.db2.gz BZEIAOFTMFCPMH-VXGBXAGGSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000628460009 358087985 /nfs/dbraw/zinc/08/79/85/358087985.db2.gz COGKQBBAOIPTTN-LXTVHRRPSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000628460011 358087763 /nfs/dbraw/zinc/08/77/63/358087763.db2.gz COGKQBBAOIPTTN-XGUBFFRZSA-N 1 0 219.372 3.511 20 0 BHADRO C/C=C\C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628460048 358087930 /nfs/dbraw/zinc/08/79/30/358087930.db2.gz DPJHSXWAWHUWHI-IHWYPQMZSA-N 1 0 245.366 3.584 20 0 BHADRO C/C=C/C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628460049 358088022 /nfs/dbraw/zinc/08/80/22/358088022.db2.gz DPJHSXWAWHUWHI-NSCUHMNNSA-N 1 0 245.366 3.584 20 0 BHADRO Clc1ccc(C[N@@H+]2CCCC3(CC3)CC2)o1 ZINC000628480245 359318455 /nfs/dbraw/zinc/31/84/55/359318455.db2.gz HZRLDSFINFKYID-UHFFFAOYSA-N 1 0 239.746 3.699 20 0 BHADRO C[C@]1(C[N@@H+]2CCCC3(CC3)CC2)CCCS1 ZINC000628480345 359318017 /nfs/dbraw/zinc/31/80/17/359318017.db2.gz SFKPYZIJPCNGJT-CYBMUJFWSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@@]1(C[N@@H+]2CCCC3(CC3)CC2)CCCS1 ZINC000628480346 359318187 /nfs/dbraw/zinc/31/81/87/359318187.db2.gz SFKPYZIJPCNGJT-ZDUSSCGKSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)C1CC(F)(F)C1 ZINC000628494664 359674729 /nfs/dbraw/zinc/67/47/29/359674729.db2.gz VNZRPKQRFPXQFN-CMPLNLGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C1CC(F)(F)C1 ZINC000628494665 359674380 /nfs/dbraw/zinc/67/43/80/359674380.db2.gz VNZRPKQRFPXQFN-JQWIXIFHSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C1CC(F)(F)C1 ZINC000628494666 359674826 /nfs/dbraw/zinc/67/48/26/359674826.db2.gz VNZRPKQRFPXQFN-PWSUYJOCSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C1CC(F)(F)C1 ZINC000628494667 359674563 /nfs/dbraw/zinc/67/45/63/359674563.db2.gz VNZRPKQRFPXQFN-ZYHUDNBSSA-N 1 0 243.341 3.590 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000628494797 387732745 /nfs/dbraw/zinc/73/27/45/387732745.db2.gz ZDAHBWURDQCESL-KBPBESRZSA-N 1 0 219.372 3.655 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000628494798 387730811 /nfs/dbraw/zinc/73/08/11/387730811.db2.gz ZDAHBWURDQCESL-KGLIPLIRSA-N 1 0 219.372 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000628494799 387731942 /nfs/dbraw/zinc/73/19/42/387731942.db2.gz ZDAHBWURDQCESL-UONOGXRCSA-N 1 0 219.372 3.655 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000628494800 387732048 /nfs/dbraw/zinc/73/20/48/387732048.db2.gz ZDAHBWURDQCESL-ZIAGYGMSSA-N 1 0 219.372 3.655 20 0 BHADRO CCC[C@@H](C)CNc1ccc(NC)cc1 ZINC000629388430 361041220 /nfs/dbraw/zinc/04/12/20/361041220.db2.gz ARMDYBQWGHRPLX-LLVKDONJSA-N 1 0 206.333 3.576 20 0 BHADRO CCC[C@H](C)CNc1ccc(NC)cc1 ZINC000629388431 361041118 /nfs/dbraw/zinc/04/11/18/361041118.db2.gz ARMDYBQWGHRPLX-NSHDSACASA-N 1 0 206.333 3.576 20 0 BHADRO CNc1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000629653302 361552823 /nfs/dbraw/zinc/55/28/23/361552823.db2.gz KIITZKJQIWXOND-LLVKDONJSA-N 1 0 220.360 3.822 20 0 BHADRO CNc1ccc(NC[C@H](C)C(C)(C)C)cc1 ZINC000629653594 361552641 /nfs/dbraw/zinc/55/26/41/361552641.db2.gz KIITZKJQIWXOND-NSHDSACASA-N 1 0 220.360 3.822 20 0 BHADRO c1csc(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000629690103 361625090 /nfs/dbraw/zinc/62/50/90/361625090.db2.gz GRXURECUUSLEKQ-CYBMUJFWSA-N 1 0 229.348 3.840 20 0 BHADRO c1csc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000629690105 361624994 /nfs/dbraw/zinc/62/49/94/361624994.db2.gz GRXURECUUSLEKQ-ZDUSSCGKSA-N 1 0 229.348 3.840 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3ccsc3)cc2)CC1 ZINC000629690234 361625006 /nfs/dbraw/zinc/62/50/06/361625006.db2.gz HIMGZNCVTCHUAR-UHFFFAOYSA-N 1 0 243.375 3.666 20 0 BHADRO [NH3+]CC1(Cc2ccc(-c3cccs3)cc2)CC1 ZINC000629690551 361615124 /nfs/dbraw/zinc/61/51/24/361615124.db2.gz MKOCTDXTKALSMN-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO C[C@@H]1C[C@H](c2ccc(-c3ccsc3)cc2)C[NH2+]1 ZINC000629690602 361615154 /nfs/dbraw/zinc/61/51/54/361615154.db2.gz JXQIGZNCJMXQBD-ABAIWWIYSA-N 1 0 243.375 3.881 20 0 BHADRO C[C@@H]1C[C@@H](c2ccc(-c3ccsc3)cc2)C[NH2+]1 ZINC000629690604 361615172 /nfs/dbraw/zinc/61/51/72/361615172.db2.gz JXQIGZNCJMXQBD-IAQYHMDHSA-N 1 0 243.375 3.881 20 0 BHADRO C[C@H]1C[C@H](c2ccc(-c3ccsc3)cc2)C[NH2+]1 ZINC000629690607 361615658 /nfs/dbraw/zinc/61/56/58/361615658.db2.gz JXQIGZNCJMXQBD-NHYWBVRUSA-N 1 0 243.375 3.881 20 0 BHADRO C[C@H]1C[C@@H](c2ccc(-c3ccsc3)cc2)C[NH2+]1 ZINC000629690609 361615137 /nfs/dbraw/zinc/61/51/37/361615137.db2.gz JXQIGZNCJMXQBD-XHDPSFHLSA-N 1 0 243.375 3.881 20 0 BHADRO c1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cs1 ZINC000629690724 361616612 /nfs/dbraw/zinc/61/66/12/361616612.db2.gz LSRPXXRDXYWENU-UHFFFAOYSA-N 1 0 243.375 3.882 20 0 BHADRO c1cc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)cs1 ZINC000629690760 361616218 /nfs/dbraw/zinc/61/62/18/361616218.db2.gz MWKMWIMDSHNOHM-CYBMUJFWSA-N 1 0 243.375 3.567 20 0 BHADRO c1cc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000629690761 361616588 /nfs/dbraw/zinc/61/65/88/361616588.db2.gz MWKMWIMDSHNOHM-ZDUSSCGKSA-N 1 0 243.375 3.567 20 0 BHADRO c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000629690770 361616649 /nfs/dbraw/zinc/61/66/49/361616649.db2.gz NLKPPQAJZVGCNK-AWEZNQCLSA-N 1 0 229.348 3.840 20 0 BHADRO c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cs1 ZINC000629690771 361616590 /nfs/dbraw/zinc/61/65/90/361616590.db2.gz NLKPPQAJZVGCNK-CQSZACIVSA-N 1 0 229.348 3.840 20 0 BHADRO c1cc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000629690971 361616479 /nfs/dbraw/zinc/61/64/79/361616479.db2.gz OMOCXONSNMWRHT-CYBMUJFWSA-N 1 0 243.375 3.567 20 0 BHADRO c1cc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000629690974 361616164 /nfs/dbraw/zinc/61/61/64/361616164.db2.gz OMOCXONSNMWRHT-ZDUSSCGKSA-N 1 0 243.375 3.567 20 0 BHADRO c1cc(-c2cccc(C3CC[NH2+]CC3)c2)cs1 ZINC000629691055 361617522 /nfs/dbraw/zinc/61/75/22/361617522.db2.gz QSVFNIAVBNCMOX-UHFFFAOYSA-N 1 0 243.375 3.882 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3cccs3)cc2)CC1 ZINC000629691130 361617059 /nfs/dbraw/zinc/61/70/59/361617059.db2.gz SQDLSAACDYQGEK-UHFFFAOYSA-N 1 0 243.375 3.666 20 0 BHADRO [NH3+]CC1(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000629691358 361618453 /nfs/dbraw/zinc/61/84/53/361618453.db2.gz VWNXRMSJLXYSAT-UHFFFAOYSA-N 1 0 243.375 3.697 20 0 BHADRO c1cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cs1 ZINC000629691609 361619274 /nfs/dbraw/zinc/61/92/74/361619274.db2.gz YTVYKMRACGTELE-AWEZNQCLSA-N 1 0 229.348 3.840 20 0 BHADRO c1cc(-c2cccc([C@H]3CCC[NH2+]3)c2)cs1 ZINC000629691610 361619282 /nfs/dbraw/zinc/61/92/82/361619282.db2.gz YTVYKMRACGTELE-CQSZACIVSA-N 1 0 229.348 3.840 20 0 BHADRO Fc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000629691837 361619478 /nfs/dbraw/zinc/61/94/78/361619478.db2.gz BMYPNMSFRZOMMP-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC000629691838 361619681 /nfs/dbraw/zinc/61/96/81/361619681.db2.gz BMYPNMSFRZOMMP-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO [NH3+][C@H]1CCCCc2cc(-c3ccco3)ccc21 ZINC000629691961 361619318 /nfs/dbraw/zinc/61/93/18/361619318.db2.gz DRTILBKBYARLAP-AWEZNQCLSA-N 1 0 227.307 3.673 20 0 BHADRO [NH3+][C@@H]1CCCCc2cc(-c3ccco3)ccc21 ZINC000629691962 361619077 /nfs/dbraw/zinc/61/90/77/361619077.db2.gz DRTILBKBYARLAP-CQSZACIVSA-N 1 0 227.307 3.673 20 0 BHADRO Cc1cc(-c2ccco2)ccc1[C@@H]1CCC[NH2+]1 ZINC000629692570 361620538 /nfs/dbraw/zinc/62/05/38/361620538.db2.gz PVDUUHJXTVRKHS-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2ccco2)ccc1[C@H]1CCC[NH2+]1 ZINC000629692571 361620457 /nfs/dbraw/zinc/62/04/57/361620457.db2.gz PVDUUHJXTVRKHS-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(C2CC[NH2+]CC2)ccc1-c1ccco1 ZINC000629692740 361620612 /nfs/dbraw/zinc/62/06/12/361620612.db2.gz SMGQDQAFGLVAEO-UHFFFAOYSA-N 1 0 241.334 3.722 20 0 BHADRO Fc1ccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cc1 ZINC000629692813 361620485 /nfs/dbraw/zinc/62/04/85/361620485.db2.gz VVHYODLFAZOPFC-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1ccc(-c2cccc([C@H]3CCC[NH2+]3)c2)cc1 ZINC000629692814 361620326 /nfs/dbraw/zinc/62/03/26/361620326.db2.gz VVHYODLFAZOPFC-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccco1 ZINC000629692948 361621574 /nfs/dbraw/zinc/62/15/74/361621574.db2.gz XHYDOBSXEWLLOL-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccco1 ZINC000629692949 361621238 /nfs/dbraw/zinc/62/12/38/361621238.db2.gz XHYDOBSXEWLLOL-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2cccc([C@H]3CC[NH2+]C3)c2)cs1 ZINC000629698884 361634363 /nfs/dbraw/zinc/63/43/63/361634363.db2.gz ADTABLUROCDELK-AWEZNQCLSA-N 1 0 243.375 3.800 20 0 BHADRO Cc1cc(-c2cccc([C@@H]3CC[NH2+]C3)c2)cs1 ZINC000629698885 361634104 /nfs/dbraw/zinc/63/41/04/361634104.db2.gz ADTABLUROCDELK-CQSZACIVSA-N 1 0 243.375 3.800 20 0 BHADRO Fc1ccccc1-c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000629709861 361643186 /nfs/dbraw/zinc/64/31/86/361643186.db2.gz HXKUVSORVYTQBJ-AWEZNQCLSA-N 1 0 241.309 3.570 20 0 BHADRO Fc1ccccc1-c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000629709862 361642689 /nfs/dbraw/zinc/64/26/89/361642689.db2.gz HXKUVSORVYTQBJ-CQSZACIVSA-N 1 0 241.309 3.570 20 0 BHADRO Fc1cccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000629710298 361645334 /nfs/dbraw/zinc/64/53/34/361645334.db2.gz FBMAJWDLRYLBAC-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1cccc(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000629710299 361645081 /nfs/dbraw/zinc/64/50/81/361645081.db2.gz FBMAJWDLRYLBAC-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO CCc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC000629710420 361646090 /nfs/dbraw/zinc/64/60/90/361646090.db2.gz FMUMFTVZVIGUPJ-UHFFFAOYSA-N 1 0 223.319 3.519 20 0 BHADRO Fc1ccccc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000629710510 361646155 /nfs/dbraw/zinc/64/61/55/361646155.db2.gz VABFFFIFKMGZLQ-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1ccccc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000629710511 361646302 /nfs/dbraw/zinc/64/63/02/361646302.db2.gz VABFFFIFKMGZLQ-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1cccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000629710542 361646037 /nfs/dbraw/zinc/64/60/37/361646037.db2.gz HULJLOSIMONSIW-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1cccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000629710543 361646328 /nfs/dbraw/zinc/64/63/28/361646328.db2.gz HULJLOSIMONSIW-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1ccccc1-c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000629710583 361646519 /nfs/dbraw/zinc/64/65/19/361646519.db2.gz WAJBPJRBDJKIMQ-INIZCTEOSA-N 1 0 241.309 3.917 20 0 BHADRO Fc1ccccc1-c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000629710585 361646023 /nfs/dbraw/zinc/64/60/23/361646023.db2.gz WAJBPJRBDJKIMQ-MRXNPFEDSA-N 1 0 241.309 3.917 20 0 BHADRO Cc1cc(C2CC[NH2+]CC2)ccc1-c1ccoc1 ZINC000629714292 361651324 /nfs/dbraw/zinc/65/13/24/361651324.db2.gz CDHCBNJJLLKROM-UHFFFAOYSA-N 1 0 241.334 3.722 20 0 BHADRO [NH3+][C@H]1CCCCc2cc(-c3ccoc3)ccc21 ZINC000629714446 361651186 /nfs/dbraw/zinc/65/11/86/361651186.db2.gz HDOKCAWVBIELAP-HNNXBMFYSA-N 1 0 227.307 3.673 20 0 BHADRO [NH3+][C@@H]1CCCCc2cc(-c3ccoc3)ccc21 ZINC000629714447 361651243 /nfs/dbraw/zinc/65/12/43/361651243.db2.gz HDOKCAWVBIELAP-OAHLLOKOSA-N 1 0 227.307 3.673 20 0 BHADRO Cc1ccsc1-c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000629714492 361651270 /nfs/dbraw/zinc/65/12/70/361651270.db2.gz ITWOMDYPMWTDJR-AWEZNQCLSA-N 1 0 243.375 3.800 20 0 BHADRO Cc1ccsc1-c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000629714493 361651101 /nfs/dbraw/zinc/65/11/01/361651101.db2.gz ITWOMDYPMWTDJR-CQSZACIVSA-N 1 0 243.375 3.800 20 0 BHADRO Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccoc1 ZINC000629714497 361651301 /nfs/dbraw/zinc/65/13/01/361651301.db2.gz JDXCVOIMPZDWFP-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccoc1 ZINC000629714498 361651088 /nfs/dbraw/zinc/65/10/88/361651088.db2.gz JDXCVOIMPZDWFP-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO CC1(c2ccc(-c3ccoc3)cc2)CC[NH2+]CC1 ZINC000629714966 361656027 /nfs/dbraw/zinc/65/60/27/361656027.db2.gz RPKLAOXPNLNQHB-UHFFFAOYSA-N 1 0 241.334 3.588 20 0 BHADRO CC1(c2cccc(-c3ccoc3)c2)CC[NH2+]CC1 ZINC000629715107 361656818 /nfs/dbraw/zinc/65/68/18/361656818.db2.gz VITLUGJKNUJMKB-UHFFFAOYSA-N 1 0 241.334 3.588 20 0 BHADRO Cc1cc(-c2ccoc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000629715177 361657172 /nfs/dbraw/zinc/65/71/72/361657172.db2.gz YMDXATXIXGSPSS-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2ccoc2)ccc1[C@H]1CCC[NH2+]1 ZINC000629715178 361656703 /nfs/dbraw/zinc/65/67/03/361656703.db2.gz YMDXATXIXGSPSS-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)o1 ZINC000629717300 361659463 /nfs/dbraw/zinc/65/94/63/361659463.db2.gz PEESTDOBENRCOX-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)o1 ZINC000629717301 361658955 /nfs/dbraw/zinc/65/89/55/361658955.db2.gz PEESTDOBENRCOX-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3ccc(C)o3)cc2)CC1 ZINC000629717326 361659501 /nfs/dbraw/zinc/65/95/01/361659501.db2.gz PTNSMEZPWATVFZ-UHFFFAOYSA-N 1 0 241.334 3.506 20 0 BHADRO Cc1ccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)o1 ZINC000629717604 361659469 /nfs/dbraw/zinc/65/94/69/361659469.db2.gz RILRWJWUSBTYJQ-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1ccc(-c2cccc([C@H]3CCC[NH2+]3)c2)o1 ZINC000629717605 361659364 /nfs/dbraw/zinc/65/93/64/361659364.db2.gz RILRWJWUSBTYJQ-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2C)o1 ZINC000629717644 361660431 /nfs/dbraw/zinc/66/04/31/361660431.db2.gz SGGAJKDRRXAOKH-HNNXBMFYSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2C)o1 ZINC000629717645 361660331 /nfs/dbraw/zinc/66/03/31/361660331.db2.gz SGGAJKDRRXAOKH-OAHLLOKOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1ccc(-c2cccc(C[NH2+]C3CC3)c2)o1 ZINC000629717909 361660658 /nfs/dbraw/zinc/66/06/58/361660658.db2.gz UPFAAQKNLUFSMD-UHFFFAOYSA-N 1 0 227.307 3.507 20 0 BHADRO Cc1ccc(-c2cccc3c2C[NH2+]C3)cc1C ZINC000629733412 361673192 /nfs/dbraw/zinc/67/31/92/361673192.db2.gz RHHRZUPDCJYLOE-UHFFFAOYSA-N 1 0 223.319 3.574 20 0 BHADRO CC[NH2+]Cc1cccc(-c2cccc(NC)c2)c1 ZINC000629735711 361671954 /nfs/dbraw/zinc/67/19/54/361671954.db2.gz DHXPGZMMKORDRH-UHFFFAOYSA-N 1 0 240.350 3.505 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3cc(C)co3)cc2)CC1 ZINC000629735944 361672967 /nfs/dbraw/zinc/67/29/67/361672967.db2.gz JCNIMEAWSKHVFO-UHFFFAOYSA-N 1 0 241.334 3.506 20 0 BHADRO Cc1coc(-c2ccc([C@@H]3CCC[NH2+]3)cc2C)c1 ZINC000629736547 361675283 /nfs/dbraw/zinc/67/52/83/361675283.db2.gz QSAOXAONMLKLND-HNNXBMFYSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1coc(-c2ccc([C@H]3CCC[NH2+]3)cc2C)c1 ZINC000629736548 361675450 /nfs/dbraw/zinc/67/54/50/361675450.db2.gz QSAOXAONMLKLND-OAHLLOKOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1coc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000629736594 361675082 /nfs/dbraw/zinc/67/50/82/361675082.db2.gz SLSUYZCXDYGSJX-UHFFFAOYSA-N 1 0 227.307 3.507 20 0 BHADRO Cc1coc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000629736703 361675475 /nfs/dbraw/zinc/67/54/75/361675475.db2.gz UZRGKHQVYHFKGC-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1coc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000629736704 361674953 /nfs/dbraw/zinc/67/49/53/361674953.db2.gz UZRGKHQVYHFKGC-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1coc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000629736901 361676083 /nfs/dbraw/zinc/67/60/83/361676083.db2.gz YHCJKODMFUIZGY-AWEZNQCLSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1coc(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000629737025 361676380 /nfs/dbraw/zinc/67/63/80/361676380.db2.gz YHCJKODMFUIZGY-CQSZACIVSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cocc1-c1ccc2c(c1)CCCC[C@@H]2[NH3+] ZINC000629738011 361673727 /nfs/dbraw/zinc/67/37/27/361673727.db2.gz FAJZIIRRENLXJH-INIZCTEOSA-N 1 0 241.334 3.981 20 0 BHADRO Cc1cocc1-c1ccc2c(c1)CCCC[C@H]2[NH3+] ZINC000629738012 361674373 /nfs/dbraw/zinc/67/43/73/361674373.db2.gz FAJZIIRRENLXJH-MRXNPFEDSA-N 1 0 241.334 3.981 20 0 BHADRO CC[C@@H]1Cc2c(cccc2-c2cocc2C)C[NH2+]1 ZINC000629738029 361674249 /nfs/dbraw/zinc/67/42/49/361674249.db2.gz FTOOFNIQBPYVKZ-CYBMUJFWSA-N 1 0 241.334 3.679 20 0 BHADRO CC[C@H]1Cc2c(cccc2-c2cocc2C)C[NH2+]1 ZINC000629738030 361674185 /nfs/dbraw/zinc/67/41/85/361674185.db2.gz FTOOFNIQBPYVKZ-ZDUSSCGKSA-N 1 0 241.334 3.679 20 0 BHADRO Cc1cocc1-c1ccc(CC2(C[NH3+])CC2)cc1 ZINC000629738064 361674450 /nfs/dbraw/zinc/67/44/50/361674450.db2.gz GFIUTHYPMZPMIQ-UHFFFAOYSA-N 1 0 241.334 3.536 20 0 BHADRO Cc1cocc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC000629738103 361674165 /nfs/dbraw/zinc/67/41/65/361674165.db2.gz HAURNYOLQVJSAJ-UHFFFAOYSA-N 1 0 241.334 3.722 20 0 BHADRO Cc1cocc1-c1ccc([C@@H]2CCC[NH2+]2)c(C)c1 ZINC000629738217 361674445 /nfs/dbraw/zinc/67/44/45/361674445.db2.gz JGWFCTZZMSNWOM-INIZCTEOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cocc1-c1ccc([C@H]2CCC[NH2+]2)c(C)c1 ZINC000629738218 361674210 /nfs/dbraw/zinc/67/42/10/361674210.db2.gz JGWFCTZZMSNWOM-MRXNPFEDSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cocc1-c1cccc2c1CC(C)(C)[C@H]2[NH3+] ZINC000629738219 361673757 /nfs/dbraw/zinc/67/37/57/361673757.db2.gz JGWREKZLLQOWKR-HNNXBMFYSA-N 1 0 241.334 3.837 20 0 BHADRO Cc1cocc1-c1cccc2c1CC(C)(C)[C@@H]2[NH3+] ZINC000629738220 361674131 /nfs/dbraw/zinc/67/41/31/361674131.db2.gz JGWREKZLLQOWKR-OAHLLOKOSA-N 1 0 241.334 3.837 20 0 BHADRO Cc1cocc1-c1ccc([C@@H]2CCC[NH2+]2)cc1C ZINC000629738246 490266634 /nfs/dbraw/zinc/26/66/34/490266634.db2.gz KHHNGKDXUWBAMQ-INIZCTEOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cocc1-c1ccc([C@H]2CCC[NH2+]2)cc1C ZINC000629738247 490266647 /nfs/dbraw/zinc/26/66/47/490266647.db2.gz KHHNGKDXUWBAMQ-MRXNPFEDSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cocc1-c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629738522 361675552 /nfs/dbraw/zinc/67/55/52/361675552.db2.gz NNXMHQBZIIZXAM-UHFFFAOYSA-N 1 0 239.318 3.632 20 0 BHADRO Cc1cocc1-c1cccc(C[NH2+]CC2CC2)c1 ZINC000629738535 361675407 /nfs/dbraw/zinc/67/54/07/361675407.db2.gz OAHUMXNDLSQMPF-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cocc1-c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000629738847 361675241 /nfs/dbraw/zinc/67/52/41/361675241.db2.gz RPERKGVJPNHWMN-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cocc1-c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000629738848 361674908 /nfs/dbraw/zinc/67/49/08/361674908.db2.gz RPERKGVJPNHWMN-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cocc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC000629738874 361675009 /nfs/dbraw/zinc/67/50/09/361675009.db2.gz SDDXLAASXMBLNC-UHFFFAOYSA-N 1 0 241.334 3.722 20 0 BHADRO Cc1cocc1-c1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC000629739073 361675856 /nfs/dbraw/zinc/67/58/56/361675856.db2.gz UYABGHNVOUESKH-DOMZBBRYSA-N 1 0 241.334 3.720 20 0 BHADRO Cc1cocc1-c1ccc([C@H]2C[NH2+][C@H](C)C2)cc1 ZINC000629739074 361676077 /nfs/dbraw/zinc/67/60/77/361676077.db2.gz UYABGHNVOUESKH-IUODEOHRSA-N 1 0 241.334 3.720 20 0 BHADRO Cc1cocc1-c1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000629739075 361676187 /nfs/dbraw/zinc/67/61/87/361676187.db2.gz UYABGHNVOUESKH-SWLSCSKDSA-N 1 0 241.334 3.720 20 0 BHADRO Cc1cocc1-c1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000629739076 361676073 /nfs/dbraw/zinc/67/60/73/361676073.db2.gz UYABGHNVOUESKH-WFASDCNBSA-N 1 0 241.334 3.720 20 0 BHADRO Cc1cocc1-c1ccc(C2(C[NH3+])CCC2)cc1 ZINC000629739126 361676133 /nfs/dbraw/zinc/67/61/33/361676133.db2.gz XGPMUPCXDPNIEX-UHFFFAOYSA-N 1 0 241.334 3.635 20 0 BHADRO Cc1cocc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000629739155 361676209 /nfs/dbraw/zinc/67/62/09/361676209.db2.gz YCTVXZFLRMFLFM-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cocc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000629739156 361676359 /nfs/dbraw/zinc/67/63/59/361676359.db2.gz YCTVXZFLRMFLFM-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3cocc3C)cc2)CC1 ZINC000629739247 361675994 /nfs/dbraw/zinc/67/59/94/361675994.db2.gz YZXSEYKMHFESJE-UHFFFAOYSA-N 1 0 241.334 3.506 20 0 BHADRO CC(C)[NH2+]Cc1cccc(-c2ccc(O)cc2)c1 ZINC000629739377 361676419 /nfs/dbraw/zinc/67/64/19/361676419.db2.gz UFZZRFMXICKTSC-UHFFFAOYSA-N 1 0 241.334 3.557 20 0 BHADRO COc1cc(C)ccc1-c1cccc([C@@H](C)[NH3+])c1 ZINC000629753515 361685260 /nfs/dbraw/zinc/68/52/60/361685260.db2.gz BROYHRLLHZYSMW-GFCCVEGCSA-N 1 0 241.334 3.690 20 0 BHADRO COc1cc(C)ccc1-c1cccc([C@H](C)[NH3+])c1 ZINC000629753516 361685430 /nfs/dbraw/zinc/68/54/30/361685430.db2.gz BROYHRLLHZYSMW-LBPRGKRZSA-N 1 0 241.334 3.690 20 0 BHADRO CC(C)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000630033298 361907921 /nfs/dbraw/zinc/90/79/21/361907921.db2.gz UMARGKAEKTXQAN-HNNXBMFYSA-N 1 0 217.356 3.652 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000630033299 361908063 /nfs/dbraw/zinc/90/80/63/361908063.db2.gz UMARGKAEKTXQAN-OAHLLOKOSA-N 1 0 217.356 3.652 20 0 BHADRO Cc1csc(-c2ccc([C@H]3CCC[NH2+]3)cc2)n1 ZINC000630051435 361915571 /nfs/dbraw/zinc/91/55/71/361915571.db2.gz AUDHTTFVXRTYIF-CYBMUJFWSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1csc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)n1 ZINC000630051437 361916086 /nfs/dbraw/zinc/91/60/86/361916086.db2.gz AUDHTTFVXRTYIF-ZDUSSCGKSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1csc(-c2cccc([C@H]3CCC[NH2+]3)c2)n1 ZINC000630051949 361916975 /nfs/dbraw/zinc/91/69/75/361916975.db2.gz FZGXYTZQPHFPNX-CYBMUJFWSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1csc(-c2cccc([C@@H]3CCC[NH2+]3)c2)n1 ZINC000630051951 361917024 /nfs/dbraw/zinc/91/70/24/361917024.db2.gz FZGXYTZQPHFPNX-ZDUSSCGKSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1cc2ccccc2c(C2=CC[NH2+]CC2)c1 ZINC000630052011 361920040 /nfs/dbraw/zinc/92/00/40/361920040.db2.gz SFFGQCDCIOARHF-UHFFFAOYSA-N 1 0 223.319 3.525 20 0 BHADRO Cc1ccc(C)c(-c2cccc3c2C[NH2+]C3)c1 ZINC000630052019 361919867 /nfs/dbraw/zinc/91/98/67/361919867.db2.gz SHQYSHNNXNLPPI-UHFFFAOYSA-N 1 0 223.319 3.574 20 0 BHADRO Cc1csc(-c2ccc(C[NH2+]C(C)C)cc2)n1 ZINC000630052472 361921231 /nfs/dbraw/zinc/92/12/31/361921231.db2.gz JWGQXABGBMMPGI-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO Cc1csc(-c2cccc(C[NH2+]C(C)C)c2)n1 ZINC000630053293 361923412 /nfs/dbraw/zinc/92/34/12/361923412.db2.gz RSWCAEHSWWZFSB-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO c1cc2c(c(C[NH2+][C@]34C[C@H]3CCCC4)c1)CCC2 ZINC000630072431 363154972 /nfs/dbraw/zinc/15/49/72/363154972.db2.gz FBAYDTVDGKSOAT-NVXWUHKLSA-N 1 0 241.378 3.598 20 0 BHADRO c1cc2c(c(C[NH2+][C@@]34C[C@@H]3CCCC4)c1)CCC2 ZINC000630072432 363155119 /nfs/dbraw/zinc/15/51/19/363155119.db2.gz FBAYDTVDGKSOAT-RDJZCZTQSA-N 1 0 241.378 3.598 20 0 BHADRO Cc1scc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1C ZINC000630072598 363155902 /nfs/dbraw/zinc/15/59/02/363155902.db2.gz HBPHHWHXSQDEQG-KBPBESRZSA-N 1 0 235.396 3.787 20 0 BHADRO Cc1scc(C[NH2+][C@]23C[C@H]2CCCC3)c1C ZINC000630072601 363155866 /nfs/dbraw/zinc/15/58/66/363155866.db2.gz HBPHHWHXSQDEQG-ZIAGYGMSSA-N 1 0 235.396 3.787 20 0 BHADRO Cc1scc(C[N@H+](C)C[C@H]2CC2(C)C)c1C ZINC000630072629 363155816 /nfs/dbraw/zinc/15/58/16/363155816.db2.gz HKTLOWSMLGIXDX-CYBMUJFWSA-N 1 0 237.412 3.843 20 0 BHADRO Cc1scc(C[N@H+](C)C[C@@H]2CC2(C)C)c1C ZINC000630072635 363155994 /nfs/dbraw/zinc/15/59/94/363155994.db2.gz HKTLOWSMLGIXDX-ZDUSSCGKSA-N 1 0 237.412 3.843 20 0 BHADRO Cc1scc(C[N@@H+](C)C(C)(C)C)c1C ZINC000630072644 363155905 /nfs/dbraw/zinc/15/59/05/363155905.db2.gz TZGWKQNZLHDUGM-UHFFFAOYSA-N 1 0 211.374 3.595 20 0 BHADRO Cc1scc(C[NH+]2CCC(C)(F)CC2)c1C ZINC000630073113 363156559 /nfs/dbraw/zinc/15/65/59/363156559.db2.gz RBQGDRSUJGNYFW-UHFFFAOYSA-N 1 0 241.375 3.689 20 0 BHADRO Cc1scc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1C ZINC000630073283 363156593 /nfs/dbraw/zinc/15/65/93/363156593.db2.gz CPMCKOFTDCDUFB-AGGWBTHJSA-N 1 0 249.423 3.891 20 0 BHADRO Cc1scc(C[NH2+]CC2CC(C)C2)c1C ZINC000630073496 363157741 /nfs/dbraw/zinc/15/77/41/363157741.db2.gz GGVIDDWJSZEAGY-UHFFFAOYSA-N 1 0 223.385 3.501 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C(C)C)C2CC2)c1C ZINC000630073724 363157529 /nfs/dbraw/zinc/15/75/29/363157529.db2.gz BLWRWEVQWJKENV-AWEZNQCLSA-N 1 0 237.412 3.889 20 0 BHADRO Cc1scc(C[NH2+][C@H](C(C)C)C2CC2)c1C ZINC000630073726 363157804 /nfs/dbraw/zinc/15/78/04/363157804.db2.gz BLWRWEVQWJKENV-CQSZACIVSA-N 1 0 237.412 3.889 20 0 BHADRO Cc1scc(C[NH2+][C@]2(C)CC2(C)C)c1C ZINC000630075173 363160638 /nfs/dbraw/zinc/16/06/38/363160638.db2.gz VBZQHPCFKHHSPB-CYBMUJFWSA-N 1 0 223.385 3.643 20 0 BHADRO Cc1scc(C[NH2+][C@@]2(C)CC2(C)C)c1C ZINC000630075174 363159948 /nfs/dbraw/zinc/15/99/48/363159948.db2.gz VBZQHPCFKHHSPB-ZDUSSCGKSA-N 1 0 223.385 3.643 20 0 BHADRO CC(C)C[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000630343116 364066276 /nfs/dbraw/zinc/06/62/76/364066276.db2.gz AIIFTSUJACUPSN-INIZCTEOSA-N 1 0 231.383 3.912 20 0 BHADRO CC(C)C[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000630343117 364066259 /nfs/dbraw/zinc/06/62/59/364066259.db2.gz AIIFTSUJACUPSN-MRXNPFEDSA-N 1 0 231.383 3.912 20 0 BHADRO CC1(C[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000630343162 364066083 /nfs/dbraw/zinc/06/60/83/364066083.db2.gz CRIIRCHMLMUWKA-UHFFFAOYSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)(C)CC(C)(C)Nc1ccnc(C2CC2)n1 ZINC000630343191 364066417 /nfs/dbraw/zinc/06/64/17/364066417.db2.gz DTGPFWBCMHNMII-UHFFFAOYSA-N 1 0 247.386 3.981 20 0 BHADRO Clc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000630343262 364066048 /nfs/dbraw/zinc/06/60/48/364066048.db2.gz IGTDGDDAGVBQEN-UHFFFAOYSA-N 1 0 243.737 3.856 20 0 BHADRO Cc1ccnc(N2Cc3ccc(Cl)cc3C2)c1 ZINC000630343408 364066006 /nfs/dbraw/zinc/06/60/06/364066006.db2.gz MRLBSBJGJYVGDX-UHFFFAOYSA-N 1 0 244.725 3.564 20 0 BHADRO Fc1ccc2c(c1)CC[N@@H+](CCC1CCCC1)C2 ZINC000630343909 364068466 /nfs/dbraw/zinc/06/84/66/364068466.db2.gz XGIASCDIEWCIHX-UHFFFAOYSA-N 1 0 247.357 3.764 20 0 BHADRO CC(C)(C)Cc1csc([C@H]2CCCC[NH2+]2)n1 ZINC000630380935 364095779 /nfs/dbraw/zinc/09/57/79/364095779.db2.gz KZPDZRUALKTHFB-LLVKDONJSA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)(C)Cc1csc([C@@H]2CCCC[NH2+]2)n1 ZINC000630380946 364096408 /nfs/dbraw/zinc/09/64/08/364096408.db2.gz KZPDZRUALKTHFB-NSHDSACASA-N 1 0 238.400 3.546 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631038510 370996496 /nfs/dbraw/zinc/99/64/96/370996496.db2.gz ZRXLKZXFXMCPMO-UHFFFAOYSA-N 1 0 242.313 3.545 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631040429 371000579 /nfs/dbraw/zinc/00/05/79/371000579.db2.gz QBXFNTXAEDHONA-UHFFFAOYSA-N 1 0 245.288 3.680 20 0 BHADRO CC(C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631042580 371005747 /nfs/dbraw/zinc/00/57/47/371005747.db2.gz MBACTOXLGBAFBV-UHFFFAOYSA-N 1 0 242.313 3.545 20 0 BHADRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2F)s1 ZINC000631047506 371052976 /nfs/dbraw/zinc/05/29/76/371052976.db2.gz PVYFVKJNFKBLIO-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1F ZINC000631052006 371122754 /nfs/dbraw/zinc/12/27/54/371122754.db2.gz MNPIEQRNJRFDJL-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631052164 371118574 /nfs/dbraw/zinc/11/85/74/371118574.db2.gz DUWSOQRABAAZOM-NXEZZACHSA-N 1 0 242.313 3.543 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631052165 371118516 /nfs/dbraw/zinc/11/85/16/371118516.db2.gz DUWSOQRABAAZOM-UWVGGRQHSA-N 1 0 242.313 3.543 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631052166 371118564 /nfs/dbraw/zinc/11/85/64/371118564.db2.gz DUWSOQRABAAZOM-VHSXEESVSA-N 1 0 242.313 3.543 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631052167 371117926 /nfs/dbraw/zinc/11/79/26/371117926.db2.gz DUWSOQRABAAZOM-ZJUUUORDSA-N 1 0 242.313 3.543 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631066164 371259438 /nfs/dbraw/zinc/25/94/38/371259438.db2.gz ZJUDDAWBOADFSG-LLVKDONJSA-N 1 0 242.313 3.688 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631066165 371260215 /nfs/dbraw/zinc/26/02/15/371260215.db2.gz ZJUDDAWBOADFSG-NSHDSACASA-N 1 0 242.313 3.688 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631067604 371281037 /nfs/dbraw/zinc/28/10/37/371281037.db2.gz PDDQBCGNSNBBPR-UHFFFAOYSA-N 1 0 242.313 3.545 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631068462 371286949 /nfs/dbraw/zinc/28/69/49/371286949.db2.gz QMYCIRYQDMUYJL-UHFFFAOYSA-N 1 0 242.313 3.688 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631068825 388775244 /nfs/dbraw/zinc/77/52/44/388775244.db2.gz WQTVWWRYDJKTPD-UHFFFAOYSA-N 1 0 242.313 3.543 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631072411 371338929 /nfs/dbraw/zinc/33/89/29/371338929.db2.gz DJBIMGBPUCXAFW-UHFFFAOYSA-N 1 0 242.313 3.688 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(F)(F)F)c(F)c1 ZINC000631081350 371542682 /nfs/dbraw/zinc/54/26/82/371542682.db2.gz NUKYKSADBGYIGX-UHFFFAOYSA-N 1 0 249.251 3.566 20 0 BHADRO Cc1scc(C[NH2+][C@@H]2CCC(F)(F)C2)c1C ZINC000631090744 344947772 /nfs/dbraw/zinc/94/77/72/344947772.db2.gz SNONTVARSZHMKX-LLVKDONJSA-N 1 0 245.338 3.642 20 0 BHADRO Cc1scc(C[NH2+][C@H]2CCC(F)(F)C2)c1C ZINC000631090749 344948007 /nfs/dbraw/zinc/94/80/07/344948007.db2.gz SNONTVARSZHMKX-NSHDSACASA-N 1 0 245.338 3.642 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631099678 360497297 /nfs/dbraw/zinc/49/72/97/360497297.db2.gz MZFRTUUGAKCZPE-JTQLQIEISA-N 1 0 242.313 3.543 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631099681 360497578 /nfs/dbraw/zinc/49/75/78/360497578.db2.gz MZFRTUUGAKCZPE-SNVBAGLBSA-N 1 0 242.313 3.543 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)c(F)c1 ZINC000631113637 344927444 /nfs/dbraw/zinc/92/74/44/344927444.db2.gz OQGFKRXGBRGDQU-SECBINFHSA-N 1 0 249.251 3.565 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)c(F)c1 ZINC000631113640 344927580 /nfs/dbraw/zinc/92/75/80/344927580.db2.gz OQGFKRXGBRGDQU-VIFPVBQESA-N 1 0 249.251 3.565 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C2=CCCCC2)on1 ZINC000631114142 345960638 /nfs/dbraw/zinc/96/06/38/345960638.db2.gz RFVOBXFUGUUUNV-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO Cc1cscc1C[NH2+]Cc1ccc(C)cc1F ZINC000631119597 387786728 /nfs/dbraw/zinc/78/67/28/387786728.db2.gz COVQKHUSWIVEKI-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631121012 360985494 /nfs/dbraw/zinc/98/54/94/360985494.db2.gz NQKHIYMNMSVAPP-UHFFFAOYSA-N 1 0 242.313 3.545 20 0 BHADRO C[C@H](CF)NCc1oc2ccccc2c1Cl ZINC000631136500 372205393 /nfs/dbraw/zinc/20/53/93/372205393.db2.gz NGKISCZHGQIXAF-MRVPVSSYSA-N 1 0 241.693 3.534 20 0 BHADRO C[C@@H](CF)NCc1oc2ccccc2c1Cl ZINC000631136501 372205102 /nfs/dbraw/zinc/20/51/02/372205102.db2.gz NGKISCZHGQIXAF-QMMMGPOBSA-N 1 0 241.693 3.534 20 0 BHADRO Cc1ccc(C[NH2+]CCCC(C)(F)F)c(F)c1 ZINC000631147202 344910113 /nfs/dbraw/zinc/91/01/13/344910113.db2.gz LXXYUVUIPHIIRY-UHFFFAOYSA-N 1 0 245.288 3.659 20 0 BHADRO Cc1scc(C[NH2+]CCCC(C)(F)F)c1C ZINC000631147588 344919466 /nfs/dbraw/zinc/91/94/66/344919466.db2.gz OWKYZMPTHRCKDJ-UHFFFAOYSA-N 1 0 247.354 3.890 20 0 BHADRO Cc1csc(C[NH2+]Cc2ccc(C)cc2F)c1 ZINC000631151210 345793120 /nfs/dbraw/zinc/79/31/20/345793120.db2.gz ZGIREBMTYOPSJM-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1scc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1C ZINC000631158876 372211579 /nfs/dbraw/zinc/21/15/79/372211579.db2.gz IYXMIXXJLYUQDB-CHWSQXEVSA-N 1 0 247.363 3.604 20 0 BHADRO Clc1c2ccccc2oc1C[NH2+][C@@H]1CC12CC2 ZINC000631163684 360739887 /nfs/dbraw/zinc/73/98/87/360739887.db2.gz SOXWQHFTYAYRDS-GFCCVEGCSA-N 1 0 247.725 3.728 20 0 BHADRO Clc1c2ccccc2oc1C[NH2+][C@H]1CC12CC2 ZINC000631163685 360739129 /nfs/dbraw/zinc/73/91/29/360739129.db2.gz SOXWQHFTYAYRDS-LBPRGKRZSA-N 1 0 247.725 3.728 20 0 BHADRO Fc1ccc(C[NH2+][C@H]2CC23CC3)c2ccccc12 ZINC000631163869 360760779 /nfs/dbraw/zinc/76/07/79/360760779.db2.gz VRDAFBBZHAUBDE-HNNXBMFYSA-N 1 0 241.309 3.621 20 0 BHADRO Fc1ccc(C[NH2+][C@@H]2CC23CC3)c2ccccc12 ZINC000631163883 360760652 /nfs/dbraw/zinc/76/06/52/360760652.db2.gz VRDAFBBZHAUBDE-OAHLLOKOSA-N 1 0 241.309 3.621 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)c(F)c1 ZINC000631165082 372213615 /nfs/dbraw/zinc/21/36/15/372213615.db2.gz HDXFVHVHMARDTF-JTQLQIEISA-N 1 0 245.288 3.515 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)c(F)c1 ZINC000631165083 372213542 /nfs/dbraw/zinc/21/35/42/372213542.db2.gz HDXFVHVHMARDTF-SNVBAGLBSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1scc(C[NH2+]C[C@H](C)CC(F)F)c1C ZINC000631166293 361060344 /nfs/dbraw/zinc/06/03/44/361060344.db2.gz SHVUCZKHSIYCBA-MRVPVSSYSA-N 1 0 247.354 3.746 20 0 BHADRO Cc1scc(C[NH2+]C[C@@H](C)CC(F)F)c1C ZINC000631166297 361060803 /nfs/dbraw/zinc/06/08/03/361060803.db2.gz SHVUCZKHSIYCBA-QMMMGPOBSA-N 1 0 247.354 3.746 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)C(C)(C)C ZINC000631169392 361169122 /nfs/dbraw/zinc/16/91/22/361169122.db2.gz VYYVJKLWRDODDL-SECBINFHSA-N 1 0 242.313 3.543 20 0 BHADRO Cc1scc(C[NH2+]CCC(C)(C)F)c1C ZINC000631173706 372215745 /nfs/dbraw/zinc/21/57/45/372215745.db2.gz QIXMAMRDPVBAIO-UHFFFAOYSA-N 1 0 229.364 3.593 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631173794 361791219 /nfs/dbraw/zinc/79/12/19/361791219.db2.gz TYAFILOPILDJLR-JTQLQIEISA-N 1 0 242.313 3.545 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631173929 361791285 /nfs/dbraw/zinc/79/12/85/361791285.db2.gz TYAFILOPILDJLR-SNVBAGLBSA-N 1 0 242.313 3.545 20 0 BHADRO c1cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2[nH]1 ZINC000631192428 360575629 /nfs/dbraw/zinc/57/56/29/360575629.db2.gz LDUFQJKZGPRVNV-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2[nH]1 ZINC000631192439 360575359 /nfs/dbraw/zinc/57/53/59/360575359.db2.gz LDUFQJKZGPRVNV-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CC[C@](C)([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 ZINC000631192819 360589831 /nfs/dbraw/zinc/58/98/31/360589831.db2.gz AOIFXAAPFDDMOD-HNNXBMFYSA-N 1 0 246.329 3.569 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 ZINC000631192826 360589663 /nfs/dbraw/zinc/58/96/63/360589663.db2.gz AOIFXAAPFDDMOD-OAHLLOKOSA-N 1 0 246.329 3.569 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CCCC34CC4)ccc2[nH]1 ZINC000631193090 360592756 /nfs/dbraw/zinc/59/27/56/360592756.db2.gz OODBWKMQVVRIKJ-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CCCC34CC4)ccc2[nH]1 ZINC000631193093 360592567 /nfs/dbraw/zinc/59/25/67/360592567.db2.gz OODBWKMQVVRIKJ-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@H]2CCCC23CC3)[nH]1 ZINC000631194373 387682563 /nfs/dbraw/zinc/68/25/63/387682563.db2.gz YWFSYLSCHCTSHT-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@@H]2CCCC23CC3)[nH]1 ZINC000631194374 387682181 /nfs/dbraw/zinc/68/21/81/387682181.db2.gz YWFSYLSCHCTSHT-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000631195162 372226899 /nfs/dbraw/zinc/22/68/99/372226899.db2.gz UDMJPWBSULYQLT-HNNXBMFYSA-N 1 0 247.313 3.834 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000631195165 372225882 /nfs/dbraw/zinc/22/58/82/372225882.db2.gz UDMJPWBSULYQLT-OAHLLOKOSA-N 1 0 247.313 3.834 20 0 BHADRO CCC(C)(C)CC[NH2+]Cc1cc2cccnc2o1 ZINC000631206406 372235539 /nfs/dbraw/zinc/23/55/39/372235539.db2.gz NADGFWHZCPUHGW-UHFFFAOYSA-N 1 0 246.354 3.744 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000631207438 360998172 /nfs/dbraw/zinc/99/81/72/360998172.db2.gz UTKBBODTPXVQKM-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000631207451 360998223 /nfs/dbraw/zinc/99/82/23/360998223.db2.gz UTKBBODTPXVQKM-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000631207453 360998125 /nfs/dbraw/zinc/99/81/25/360998125.db2.gz UTKBBODTPXVQKM-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000631207455 360998082 /nfs/dbraw/zinc/99/80/82/360998082.db2.gz UTKBBODTPXVQKM-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000631217795 372240665 /nfs/dbraw/zinc/24/06/65/372240665.db2.gz FKUKXUSPHZRWAE-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000631217796 372240724 /nfs/dbraw/zinc/24/07/24/372240724.db2.gz FKUKXUSPHZRWAE-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)CC[NH2+]Cc1cc2cnccc2o1 ZINC000631222253 361386250 /nfs/dbraw/zinc/38/62/50/361386250.db2.gz VAOSFJZTBBNVBY-UHFFFAOYSA-N 1 0 246.354 3.744 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000631223403 372246681 /nfs/dbraw/zinc/24/66/81/372246681.db2.gz AIADCXAYNMMOFJ-NXEZZACHSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631223404 372246818 /nfs/dbraw/zinc/24/68/18/372246818.db2.gz AIADCXAYNMMOFJ-UWVGGRQHSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000631223405 372246419 /nfs/dbraw/zinc/24/64/19/372246419.db2.gz AIADCXAYNMMOFJ-VHSXEESVSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631223407 372246747 /nfs/dbraw/zinc/24/67/47/372246747.db2.gz AIADCXAYNMMOFJ-ZJUUUORDSA-N 1 0 226.389 3.538 20 0 BHADRO c1cc2ccc(C[NH2+][C@]34C[C@H]3CCCC4)cc2[nH]1 ZINC000631225079 372248099 /nfs/dbraw/zinc/24/80/99/372248099.db2.gz HNDWDEBOKMEMSW-GDBMZVCRSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2ccc(C[NH2+][C@@]34C[C@@H]3CCCC4)cc2[nH]1 ZINC000631225082 372247608 /nfs/dbraw/zinc/24/76/08/372247608.db2.gz HNDWDEBOKMEMSW-HOCLYGCPSA-N 1 0 240.350 3.590 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)s1 ZINC000631226043 361620018 /nfs/dbraw/zinc/62/00/18/361620018.db2.gz FDYGMCJHLSPFKW-ATZCPNFKSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)s1 ZINC000631226046 361620201 /nfs/dbraw/zinc/62/02/01/361620201.db2.gz FDYGMCJHLSPFKW-QXEWZRGKSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)s1 ZINC000631226050 361620364 /nfs/dbraw/zinc/62/03/64/361620364.db2.gz FDYGMCJHLSPFKW-WCABBAIRSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)s1 ZINC000631226053 361620553 /nfs/dbraw/zinc/62/05/53/361620553.db2.gz FDYGMCJHLSPFKW-YWVKMMECSA-N 1 0 238.400 3.537 20 0 BHADRO c1cc2cccc(C[NH2+][C@]34C[C@H]3CCCC4)c2[nH]1 ZINC000631227231 361660288 /nfs/dbraw/zinc/66/02/88/361660288.db2.gz QDYLTMKNLOUAHH-GDBMZVCRSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cccc(C[NH2+][C@@]34C[C@@H]3CCCC4)c2[nH]1 ZINC000631227237 361660453 /nfs/dbraw/zinc/66/04/53/361660453.db2.gz QDYLTMKNLOUAHH-HOCLYGCPSA-N 1 0 240.350 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000631227466 361664701 /nfs/dbraw/zinc/66/47/01/361664701.db2.gz QNLJIWBPIKTWSD-BBRMVZONSA-N 1 0 240.350 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000631227482 361662451 /nfs/dbraw/zinc/66/24/51/361662451.db2.gz QNLJIWBPIKTWSD-CZUORRHYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cc(C[NH2+][C@]34C[C@H]3CCCC4)ccc2[nH]1 ZINC000631227573 361664511 /nfs/dbraw/zinc/66/45/11/361664511.db2.gz RHAVYBHCIUPOGK-GDBMZVCRSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cc(C[NH2+][C@@]34C[C@@H]3CCCC4)ccc2[nH]1 ZINC000631227579 361665502 /nfs/dbraw/zinc/66/55/02/361665502.db2.gz RHAVYBHCIUPOGK-HOCLYGCPSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@@]23C[C@@H]2CCCC3)[nH]1 ZINC000631228283 372250330 /nfs/dbraw/zinc/25/03/30/372250330.db2.gz XHFAURCJAMVUST-BBRMVZONSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@]23C[C@H]2CCCC3)[nH]1 ZINC000631228285 372250522 /nfs/dbraw/zinc/25/05/22/372250522.db2.gz XHFAURCJAMVUST-CZUORRHYSA-N 1 0 240.350 3.590 20 0 BHADRO CCCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631561901 372426524 /nfs/dbraw/zinc/42/65/24/372426524.db2.gz RTBASCGNHHFBRJ-CYBMUJFWSA-N 1 0 220.360 3.621 20 0 BHADRO CCCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631561902 372425957 /nfs/dbraw/zinc/42/59/57/372425957.db2.gz RTBASCGNHHFBRJ-ZDUSSCGKSA-N 1 0 220.360 3.621 20 0 BHADRO CCC[C@H]([NH2+]C1CCCC1)c1cc(C)ccn1 ZINC000631562313 360986955 /nfs/dbraw/zinc/98/69/55/360986955.db2.gz VTPDOSCUHSYODV-AWEZNQCLSA-N 1 0 232.371 3.763 20 0 BHADRO CCC[C@@H]([NH2+]C1CCCC1)c1cc(C)ccn1 ZINC000631562322 360986433 /nfs/dbraw/zinc/98/64/33/360986433.db2.gz VTPDOSCUHSYODV-CQSZACIVSA-N 1 0 232.371 3.763 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)CC)c1cc(C)ccn1 ZINC000631562470 372426757 /nfs/dbraw/zinc/42/67/57/372426757.db2.gz XRGFZXLCFXLMKI-CHWSQXEVSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)CC)c1cc(C)ccn1 ZINC000631562476 372426103 /nfs/dbraw/zinc/42/61/03/372426103.db2.gz XRGFZXLCFXLMKI-OLZOCXBDSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CC)c1cc(C)ccn1 ZINC000631562479 372426586 /nfs/dbraw/zinc/42/65/86/372426586.db2.gz XRGFZXLCFXLMKI-QWHCGFSZSA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)CC)c1cc(C)ccn1 ZINC000631562480 372426174 /nfs/dbraw/zinc/42/61/74/372426174.db2.gz XRGFZXLCFXLMKI-STQMWFEESA-N 1 0 220.360 3.619 20 0 BHADRO CCC[C@H]([NH2+]CC1CCC1)c1cc(C)ccn1 ZINC000631574260 372434186 /nfs/dbraw/zinc/43/41/86/372434186.db2.gz YWBOSVYILMENJE-AWEZNQCLSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@@H]([NH2+]CC1CCC1)c1cc(C)ccn1 ZINC000631574261 372434206 /nfs/dbraw/zinc/43/42/06/372434206.db2.gz YWBOSVYILMENJE-CQSZACIVSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ncccc21)C1CCCC1 ZINC000631583315 372441483 /nfs/dbraw/zinc/44/14/83/372441483.db2.gz SIAZUYLHGZSOOD-BLLLJJGKSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ncccc21)C1CCCC1 ZINC000631583318 372441727 /nfs/dbraw/zinc/44/17/27/372441727.db2.gz SIAZUYLHGZSOOD-LRDDRELGSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ncccc21)C1CCCC1 ZINC000631583319 372441523 /nfs/dbraw/zinc/44/15/23/372441523.db2.gz SIAZUYLHGZSOOD-MLGOLLRUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ncccc21)C1CCCC1 ZINC000631583320 372441661 /nfs/dbraw/zinc/44/16/61/372441661.db2.gz SIAZUYLHGZSOOD-WBMJQRKESA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(C)ccn1 ZINC000631585295 372443133 /nfs/dbraw/zinc/44/31/33/372443133.db2.gz OFFYSYOWPQJPIQ-GXTWGEPZSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CC1)c1cc(C)ccn1 ZINC000631585296 372443251 /nfs/dbraw/zinc/44/32/51/372443251.db2.gz OFFYSYOWPQJPIQ-JSGCOSHPSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CC1)c1cc(C)ccn1 ZINC000631585297 372442928 /nfs/dbraw/zinc/44/29/28/372442928.db2.gz OFFYSYOWPQJPIQ-OCCSQVGLSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CC1)c1cc(C)ccn1 ZINC000631585298 372443190 /nfs/dbraw/zinc/44/31/90/372443190.db2.gz OFFYSYOWPQJPIQ-TZMCWYRMSA-N 1 0 232.371 3.619 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCc2ncccc21 ZINC000631588017 372443606 /nfs/dbraw/zinc/44/36/06/372443606.db2.gz ZDOBEBLAMNIFRQ-CABCVRRESA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCc2ncccc21 ZINC000631588018 372444530 /nfs/dbraw/zinc/44/45/30/372444530.db2.gz ZDOBEBLAMNIFRQ-GJZGRUSLSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCCc2ncccc21 ZINC000631588019 372444276 /nfs/dbraw/zinc/44/42/76/372444276.db2.gz ZDOBEBLAMNIFRQ-HUUCEWRRSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCCc2ncccc21 ZINC000631588120 372444724 /nfs/dbraw/zinc/44/47/24/372444724.db2.gz ZDOBEBLAMNIFRQ-LSDHHAIUSA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2ncccc21 ZINC000631592636 372445313 /nfs/dbraw/zinc/44/53/13/372445313.db2.gz SBCCSIBNIKHMRF-DOMZBBRYSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631592637 372445798 /nfs/dbraw/zinc/44/57/98/372445798.db2.gz SBCCSIBNIKHMRF-IUODEOHRSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631592638 372445444 /nfs/dbraw/zinc/44/54/44/372445444.db2.gz SBCCSIBNIKHMRF-SWLSCSKDSA-N 1 0 232.371 3.627 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2ncccc21 ZINC000631592639 372446137 /nfs/dbraw/zinc/44/61/37/372446137.db2.gz SBCCSIBNIKHMRF-WFASDCNBSA-N 1 0 232.371 3.627 20 0 BHADRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCC1 ZINC000631592829 372446345 /nfs/dbraw/zinc/44/63/45/372446345.db2.gz DNMGEXPCUWDYER-GFCCVEGCSA-N 1 0 242.366 3.631 20 0 BHADRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCC1 ZINC000631592831 372445622 /nfs/dbraw/zinc/44/56/22/372445622.db2.gz DNMGEXPCUWDYER-LBPRGKRZSA-N 1 0 242.366 3.631 20 0 BHADRO CCC[C@@H]([NH2+]CC1(C)CC1)c1cc(C)ccn1 ZINC000631596958 372449890 /nfs/dbraw/zinc/44/98/90/372449890.db2.gz VMQPNLBITGJRRY-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@H]([NH2+]CC1(C)CC1)c1cc(C)ccn1 ZINC000631596959 372449415 /nfs/dbraw/zinc/44/94/15/372449415.db2.gz VMQPNLBITGJRRY-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@H]([NH2+]CCC1CC1)c1cc(C)ccn1 ZINC000631597173 372449499 /nfs/dbraw/zinc/44/94/99/372449499.db2.gz WCFTWABHIISVRS-AWEZNQCLSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CC1)c1cc(C)ccn1 ZINC000631597174 372449407 /nfs/dbraw/zinc/44/94/07/372449407.db2.gz WCFTWABHIISVRS-CQSZACIVSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C)C1)c1cc(C)ccn1 ZINC000631597176 372450234 /nfs/dbraw/zinc/45/02/34/372450234.db2.gz WFJSDCNVDRPYSA-JXQTWKCFSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C)C1)c1cc(C)ccn1 ZINC000631597177 372450355 /nfs/dbraw/zinc/45/03/55/372450355.db2.gz WFJSDCNVDRPYSA-RUXDESIVSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(C)ccn1 ZINC000631597943 372449985 /nfs/dbraw/zinc/44/99/85/372449985.db2.gz WTIKLFPLHDOZPL-CABCVRRESA-N 1 0 244.382 3.930 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC=CCC1)c1cc(C)ccn1 ZINC000631597944 372449784 /nfs/dbraw/zinc/44/97/84/372449784.db2.gz WTIKLFPLHDOZPL-GJZGRUSLSA-N 1 0 244.382 3.930 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(C)ccn1 ZINC000631597945 372449972 /nfs/dbraw/zinc/44/99/72/372449972.db2.gz WTIKLFPLHDOZPL-HUUCEWRRSA-N 1 0 244.382 3.930 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(C)ccn1 ZINC000631597946 372450058 /nfs/dbraw/zinc/45/00/58/372450058.db2.gz WTIKLFPLHDOZPL-LSDHHAIUSA-N 1 0 244.382 3.930 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631602312 372452453 /nfs/dbraw/zinc/45/24/53/372452453.db2.gz FGDRELXJWDIWKT-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631602313 372452516 /nfs/dbraw/zinc/45/25/16/372452516.db2.gz FGDRELXJWDIWKT-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631602314 372452574 /nfs/dbraw/zinc/45/25/74/372452574.db2.gz FGDRELXJWDIWKT-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631602315 372452546 /nfs/dbraw/zinc/45/25/46/372452546.db2.gz FGDRELXJWDIWKT-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631616479 372463380 /nfs/dbraw/zinc/46/33/80/372463380.db2.gz CCDCJLPYBZBINZ-BLLLJJGKSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCc2ncccc21 ZINC000631616481 372463498 /nfs/dbraw/zinc/46/34/98/372463498.db2.gz CCDCJLPYBZBINZ-LRDDRELGSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631616483 372463577 /nfs/dbraw/zinc/46/35/77/372463577.db2.gz CCDCJLPYBZBINZ-MLGOLLRUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCCc2ncccc21 ZINC000631616484 372463239 /nfs/dbraw/zinc/46/32/39/372463239.db2.gz CCDCJLPYBZBINZ-WBMJQRKESA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(C)ccn1 ZINC000631632600 372471400 /nfs/dbraw/zinc/47/14/00/372471400.db2.gz UWQZGXXRQQPRIQ-IHRRRGAJSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(C)ccn1 ZINC000631632623 372471359 /nfs/dbraw/zinc/47/13/59/372471359.db2.gz UWQZGXXRQQPRIQ-MCIONIFRSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(C)ccn1 ZINC000631632624 372471046 /nfs/dbraw/zinc/47/10/46/372471046.db2.gz UWQZGXXRQQPRIQ-MJBXVCDLSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(C)ccn1 ZINC000631632625 372471259 /nfs/dbraw/zinc/47/12/59/372471259.db2.gz UWQZGXXRQQPRIQ-RDBSUJKOSA-N 1 0 232.371 3.619 20 0 BHADRO CCC[C@@H]([NH2+]CCCCF)c1cc(C)ccn1 ZINC000631633041 372469330 /nfs/dbraw/zinc/46/93/30/372469330.db2.gz UIGPOBUTJKFXBN-CYBMUJFWSA-N 1 0 238.350 3.571 20 0 BHADRO CCC[C@H]([NH2+]CCCCF)c1cc(C)ccn1 ZINC000631633061 372471022 /nfs/dbraw/zinc/47/10/22/372471022.db2.gz UIGPOBUTJKFXBN-ZDUSSCGKSA-N 1 0 238.350 3.571 20 0 BHADRO c1cnc2c(c1)[C@@H]([NH2+]CC1=CCCCC1)CCC2 ZINC000631633238 372470973 /nfs/dbraw/zinc/47/09/73/372470973.db2.gz CHXZASCAJCXHQW-INIZCTEOSA-N 1 0 242.366 3.549 20 0 BHADRO c1cnc2c(c1)[C@H]([NH2+]CC1=CCCCC1)CCC2 ZINC000631633265 372471027 /nfs/dbraw/zinc/47/10/27/372471027.db2.gz CHXZASCAJCXHQW-MRXNPFEDSA-N 1 0 242.366 3.549 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)F)c1cc(C)ccn1 ZINC000631633842 372472478 /nfs/dbraw/zinc/47/24/78/372472478.db2.gz FZDOJTYGFJXLCL-CHWSQXEVSA-N 1 0 238.350 3.569 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)F)c1cc(C)ccn1 ZINC000631633843 372472251 /nfs/dbraw/zinc/47/22/51/372472251.db2.gz FZDOJTYGFJXLCL-OLZOCXBDSA-N 1 0 238.350 3.569 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)F)c1cc(C)ccn1 ZINC000631633844 372471821 /nfs/dbraw/zinc/47/18/21/372471821.db2.gz FZDOJTYGFJXLCL-QWHCGFSZSA-N 1 0 238.350 3.569 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)F)c1cc(C)ccn1 ZINC000631633845 372472535 /nfs/dbraw/zinc/47/25/35/372472535.db2.gz FZDOJTYGFJXLCL-STQMWFEESA-N 1 0 238.350 3.569 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(C)ccn1 ZINC000631640609 411424708 /nfs/dbraw/zinc/42/47/08/411424708.db2.gz YMEILCWNKNMKMM-LXTVHRRPSA-N 1 0 244.382 3.619 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(C)ccn1 ZINC000631640611 411424462 /nfs/dbraw/zinc/42/44/62/411424462.db2.gz YMEILCWNKNMKMM-XGUBFFRZSA-N 1 0 244.382 3.619 20 0 BHADRO CC(C)CC1([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631649357 356231209 /nfs/dbraw/zinc/23/12/09/356231209.db2.gz WATYLOMKWLNVIJ-HNNXBMFYSA-N 1 0 244.382 3.627 20 0 BHADRO CC(C)CC1([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631649359 356231045 /nfs/dbraw/zinc/23/10/45/356231045.db2.gz WATYLOMKWLNVIJ-OAHLLOKOSA-N 1 0 244.382 3.627 20 0 BHADRO CCC[C@H]([NH2+]CC1CC=CC1)c1cc(C)ccn1 ZINC000631652580 372482259 /nfs/dbraw/zinc/48/22/59/372482259.db2.gz SLHDZONKHYFWQV-HNNXBMFYSA-N 1 0 244.382 3.787 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC=CC1)c1cc(C)ccn1 ZINC000631652581 372481892 /nfs/dbraw/zinc/48/18/92/372481892.db2.gz SLHDZONKHYFWQV-OAHLLOKOSA-N 1 0 244.382 3.787 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631654180 372483414 /nfs/dbraw/zinc/48/34/14/372483414.db2.gz GZVIOAQDJBPYGK-BMFZPTHFSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631654392 372482998 /nfs/dbraw/zinc/48/29/98/372482998.db2.gz KDHXBEQYORADLN-CLWVCHIJSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631654393 372483573 /nfs/dbraw/zinc/48/35/73/372483573.db2.gz KDHXBEQYORADLN-XNISGKROSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631654394 356754195 /nfs/dbraw/zinc/75/41/95/356754195.db2.gz KDHXBEQYORADLN-XOUADPBQSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(Cl)s1 ZINC000631657306 372482740 /nfs/dbraw/zinc/48/27/40/372482740.db2.gz AYYVTYWBTJLNMP-SSDOTTSWSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(Cl)s1 ZINC000631657309 372483142 /nfs/dbraw/zinc/48/31/42/372483142.db2.gz AYYVTYWBTJLNMP-ZETCQYMHSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1cc(F)c(F)c(F)c1 ZINC000631657330 372483733 /nfs/dbraw/zinc/48/37/33/372483733.db2.gz BKBKMGODEUWYLC-SSDOTTSWSA-N 1 0 249.251 3.503 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1cc(F)c(F)c(F)c1 ZINC000631657331 372482899 /nfs/dbraw/zinc/48/28/99/372482899.db2.gz BKBKMGODEUWYLC-ZETCQYMHSA-N 1 0 249.251 3.503 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)F)c1cccs1 ZINC000631657447 357039417 /nfs/dbraw/zinc/03/94/17/357039417.db2.gz DAGNUHLLXGHZIJ-SECBINFHSA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)F)c1cccs1 ZINC000631657450 357039363 /nfs/dbraw/zinc/03/93/63/357039363.db2.gz DAGNUHLLXGHZIJ-VIFPVBQESA-N 1 0 215.337 3.537 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)[C@@H](C)c1ccccc1 ZINC000631658462 357154544 /nfs/dbraw/zinc/15/45/44/357154544.db2.gz LAGVQCZHPNMGSO-NEPJUHHUSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)[C@H](C)c1ccccc1 ZINC000631658468 357154612 /nfs/dbraw/zinc/15/46/12/357154612.db2.gz LAGVQCZHPNMGSO-NWDGAFQWSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)F ZINC000631658472 357154730 /nfs/dbraw/zinc/15/47/30/357154730.db2.gz LAGVQCZHPNMGSO-RYUDHWBXSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)[C@@H](C)c1ccccc1 ZINC000631658473 357154673 /nfs/dbraw/zinc/15/46/73/357154673.db2.gz LAGVQCZHPNMGSO-VXGBXAGGSA-N 1 0 223.335 3.516 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000631659917 372485395 /nfs/dbraw/zinc/48/53/95/372485395.db2.gz CEEHUBCXIJREIH-UBHSHLNASA-N 1 0 235.346 3.516 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000631659926 357191665 /nfs/dbraw/zinc/19/16/65/357191665.db2.gz CEEHUBCXIJREIH-XBFCOCLRSA-N 1 0 235.346 3.516 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC(C)(C)F)c1ccccn1 ZINC000631660433 372487237 /nfs/dbraw/zinc/48/72/37/372487237.db2.gz WFDFUMNNYXVZJC-CYBMUJFWSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC(C)(C)F)c1ccccn1 ZINC000631660434 372487298 /nfs/dbraw/zinc/48/72/98/372487298.db2.gz WFDFUMNNYXVZJC-ZDUSSCGKSA-N 1 0 238.350 3.507 20 0 BHADRO Cc1ccc(C2CC([NH2+]CC(C)(C)F)C2)cc1 ZINC000631660762 357197207 /nfs/dbraw/zinc/19/72/07/357197207.db2.gz GHOALNXBVXESDO-UHFFFAOYSA-N 1 0 235.346 3.579 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc2ccccc2n1 ZINC000631660781 357197985 /nfs/dbraw/zinc/19/79/85/357197985.db2.gz YNXSEIGFFYKQBU-LLVKDONJSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1ccc2ccccc2n1 ZINC000631660787 357198074 /nfs/dbraw/zinc/19/80/74/357198074.db2.gz YNXSEIGFFYKQBU-NSHDSACASA-N 1 0 246.329 3.634 20 0 BHADRO CC(C)(F)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000631660790 357198002 /nfs/dbraw/zinc/19/80/02/357198002.db2.gz YQVAQPIIENBTGW-LLVKDONJSA-N 1 0 239.359 3.561 20 0 BHADRO CC(C)(F)C[NH2+][C@H]1CCSc2ccccc21 ZINC000631660792 357198178 /nfs/dbraw/zinc/19/81/78/357198178.db2.gz YQVAQPIIENBTGW-NSHDSACASA-N 1 0 239.359 3.561 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC(C)(C)F)c1ccncc1 ZINC000631660844 372487251 /nfs/dbraw/zinc/48/72/51/372487251.db2.gz GPPDZDJCHXOMMI-CYBMUJFWSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC(C)(C)F)c1ccncc1 ZINC000631660845 372486151 /nfs/dbraw/zinc/48/61/51/372486151.db2.gz GPPDZDJCHXOMMI-ZDUSSCGKSA-N 1 0 238.350 3.507 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC23CC3)o1 ZINC000631660854 372486122 /nfs/dbraw/zinc/48/61/22/372486122.db2.gz ACTILMRSAJOOJK-AAEUAGOBSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC23CC3)o1 ZINC000631660857 372485992 /nfs/dbraw/zinc/48/59/92/372485992.db2.gz ACTILMRSAJOOJK-DGCLKSJQSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC23CC3)o1 ZINC000631660860 372486698 /nfs/dbraw/zinc/48/66/98/372486698.db2.gz ACTILMRSAJOOJK-WCQYABFASA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC23CC3)o1 ZINC000631660862 372486506 /nfs/dbraw/zinc/48/65/06/372486506.db2.gz ACTILMRSAJOOJK-YPMHNXCESA-N 1 0 219.328 3.571 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCC12CC2 ZINC000631660921 372486081 /nfs/dbraw/zinc/48/60/81/372486081.db2.gz AVDZGXGHLPUQHO-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC12CC2 ZINC000631660926 372486891 /nfs/dbraw/zinc/48/68/91/372486891.db2.gz AVDZGXGHLPUQHO-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCC12CC2 ZINC000631660927 372486178 /nfs/dbraw/zinc/48/61/78/372486178.db2.gz AVDZGXGHLPUQHO-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC12CC2 ZINC000631660929 372486287 /nfs/dbraw/zinc/48/62/87/372486287.db2.gz AVDZGXGHLPUQHO-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccs1 ZINC000631661075 357199112 /nfs/dbraw/zinc/19/91/12/357199112.db2.gz BRRRZGSBPGVMFS-CMPLNLGQSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccs1 ZINC000631661108 357199572 /nfs/dbraw/zinc/19/95/72/357199572.db2.gz BRRRZGSBPGVMFS-JQWIXIFHSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccs1 ZINC000631661112 357199486 /nfs/dbraw/zinc/19/94/86/357199486.db2.gz BRRRZGSBPGVMFS-PWSUYJOCSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccs1 ZINC000631661116 357199284 /nfs/dbraw/zinc/19/92/84/357199284.db2.gz BRRRZGSBPGVMFS-ZYHUDNBSSA-N 1 0 221.369 3.731 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CC(C)(C)F)C1 ZINC000631661446 372486520 /nfs/dbraw/zinc/48/65/20/372486520.db2.gz ILVMIRQKLUAHRR-UHFFFAOYSA-N 1 0 235.346 3.579 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccccn1 ZINC000631661459 357201188 /nfs/dbraw/zinc/20/11/88/357201188.db2.gz CEULSACOVTVXQJ-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCC12CC2)c1ccccn1 ZINC000631661462 357201639 /nfs/dbraw/zinc/20/16/39/357201639.db2.gz CEULSACOVTVXQJ-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccccn1 ZINC000631661473 357201799 /nfs/dbraw/zinc/20/17/99/357201799.db2.gz CEULSACOVTVXQJ-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccccn1 ZINC000631661481 357201724 /nfs/dbraw/zinc/20/17/24/357201724.db2.gz CEULSACOVTVXQJ-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000631661528 357202431 /nfs/dbraw/zinc/20/24/31/357202431.db2.gz CGZXXNJCTUPUFW-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000631661529 357202170 /nfs/dbraw/zinc/20/21/70/357202170.db2.gz CGZXXNJCTUPUFW-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000631661530 357202141 /nfs/dbraw/zinc/20/21/41/357202141.db2.gz CGZXXNJCTUPUFW-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000631661532 357202293 /nfs/dbraw/zinc/20/22/93/357202293.db2.gz CGZXXNJCTUPUFW-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)[C@@H]1C[C@H]1c1cccs1 ZINC000631662068 372487890 /nfs/dbraw/zinc/48/78/90/372487890.db2.gz KGZUYVADZKSGPO-GARJFASQSA-N 1 0 241.375 3.578 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)[C@@H]1C[C@H]1c1cccs1 ZINC000631662072 372488621 /nfs/dbraw/zinc/48/86/21/372488621.db2.gz KGZUYVADZKSGPO-OUAUKWLOSA-N 1 0 241.375 3.578 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1csc(Cl)c1 ZINC000631662120 372488018 /nfs/dbraw/zinc/48/80/18/372488018.db2.gz KYCMCQOPDRPHQV-SSDOTTSWSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1csc(Cl)c1 ZINC000631662122 372487982 /nfs/dbraw/zinc/48/79/82/372487982.db2.gz KYCMCQOPDRPHQV-ZETCQYMHSA-N 1 0 235.755 3.800 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000631664100 357232778 /nfs/dbraw/zinc/23/27/78/357232778.db2.gz KYBNOBVSWHHBOG-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000631664102 357232762 /nfs/dbraw/zinc/23/27/62/357232762.db2.gz KYBNOBVSWHHBOG-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000631664109 357232690 /nfs/dbraw/zinc/23/26/90/357232690.db2.gz KYBNOBVSWHHBOG-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)C(C)(C)C(F)F ZINC000631664110 357232771 /nfs/dbraw/zinc/23/27/71/357232771.db2.gz KYBNOBVSWHHBOG-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000631664405 372489513 /nfs/dbraw/zinc/48/95/13/372489513.db2.gz MEWIMCLQNYZCFF-GXTWGEPZSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000631664407 372489638 /nfs/dbraw/zinc/48/96/38/372489638.db2.gz MEWIMCLQNYZCFF-JSGCOSHPSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000631664408 372489785 /nfs/dbraw/zinc/48/97/85/372489785.db2.gz MEWIMCLQNYZCFF-OCCSQVGLSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000631664409 372489537 /nfs/dbraw/zinc/48/95/37/372489537.db2.gz MEWIMCLQNYZCFF-TZMCWYRMSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC12CC2 ZINC000631664602 372489818 /nfs/dbraw/zinc/48/98/18/372489818.db2.gz NGCQHPRUZVLHML-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCCC12CC2 ZINC000631664605 372489689 /nfs/dbraw/zinc/48/96/89/372489689.db2.gz NGCQHPRUZVLHML-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC12CC2 ZINC000631664606 372489672 /nfs/dbraw/zinc/48/96/72/372489672.db2.gz NGCQHPRUZVLHML-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCC12CC2 ZINC000631664607 372489696 /nfs/dbraw/zinc/48/96/96/372489696.db2.gz NGCQHPRUZVLHML-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCC12CC2 ZINC000631664737 372489520 /nfs/dbraw/zinc/48/95/20/372489520.db2.gz MTVHYSQJZAIJHV-GXTWGEPZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCC12CC2 ZINC000631664742 372489570 /nfs/dbraw/zinc/48/95/70/372489570.db2.gz MTVHYSQJZAIJHV-JSGCOSHPSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC12CC2 ZINC000631664743 372489911 /nfs/dbraw/zinc/48/99/11/372489911.db2.gz MTVHYSQJZAIJHV-OCCSQVGLSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC12CC2 ZINC000631664744 372489646 /nfs/dbraw/zinc/48/96/46/372489646.db2.gz MTVHYSQJZAIJHV-TZMCWYRMSA-N 1 0 233.355 3.523 20 0 BHADRO CCC[C@@H]([NH2+]CC(C)(C)F)c1cc(C)ccn1 ZINC000631665173 357252355 /nfs/dbraw/zinc/25/23/55/357252355.db2.gz WDEWKIGTAIVAAF-GFCCVEGCSA-N 1 0 238.350 3.569 20 0 BHADRO CCC[C@H]([NH2+]CC(C)(C)F)c1cc(C)ccn1 ZINC000631665175 357251393 /nfs/dbraw/zinc/25/13/93/357251393.db2.gz WDEWKIGTAIVAAF-LBPRGKRZSA-N 1 0 238.350 3.569 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCC12CC2 ZINC000631665179 372491035 /nfs/dbraw/zinc/49/10/35/372491035.db2.gz PDIYLPQIYBRHJM-AAEUAGOBSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC12CC2 ZINC000631665180 357251554 /nfs/dbraw/zinc/25/15/54/357251554.db2.gz PDIYLPQIYBRHJM-DGCLKSJQSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC12CC2 ZINC000631665182 357251521 /nfs/dbraw/zinc/25/15/21/357251521.db2.gz PDIYLPQIYBRHJM-WCQYABFASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC12CC2 ZINC000631665183 357251496 /nfs/dbraw/zinc/25/14/96/357251496.db2.gz PDIYLPQIYBRHJM-YPMHNXCESA-N 1 0 235.396 3.601 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000631665204 372491355 /nfs/dbraw/zinc/49/13/55/372491355.db2.gz RLPCTOLQHXLTEZ-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000631665207 372491099 /nfs/dbraw/zinc/49/10/99/372491099.db2.gz RLPCTOLQHXLTEZ-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000631665208 372491141 /nfs/dbraw/zinc/49/11/41/372491141.db2.gz RLPCTOLQHXLTEZ-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000631665211 357251469 /nfs/dbraw/zinc/25/14/69/357251469.db2.gz RLPCTOLQHXLTEZ-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)C1CCC(F)(F)CC1 ZINC000631665539 357254472 /nfs/dbraw/zinc/25/44/72/357254472.db2.gz XBAGYOFEGXPOTH-SECBINFHSA-N 1 0 237.309 3.538 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)C1CCC(F)(F)CC1 ZINC000631665549 357254414 /nfs/dbraw/zinc/25/44/14/357254414.db2.gz XBAGYOFEGXPOTH-VIFPVBQESA-N 1 0 237.309 3.538 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1nccc2ccccc21 ZINC000631665657 357255968 /nfs/dbraw/zinc/25/59/68/357255968.db2.gz XZWZDGACHVBQSA-LLVKDONJSA-N 1 0 246.329 3.634 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1nccc2ccccc21 ZINC000631665663 357254966 /nfs/dbraw/zinc/25/49/66/357254966.db2.gz XZWZDGACHVBQSA-NSHDSACASA-N 1 0 246.329 3.634 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)F)c1ccsc1 ZINC000631665691 372491201 /nfs/dbraw/zinc/49/12/01/372491201.db2.gz YEQLAUQEPZZVIY-JTQLQIEISA-N 1 0 215.337 3.537 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)F)c1ccsc1 ZINC000631665692 372491235 /nfs/dbraw/zinc/49/12/35/372491235.db2.gz YEQLAUQEPZZVIY-SNVBAGLBSA-N 1 0 215.337 3.537 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC23CC3)c(C)n1 ZINC000631666084 387909032 /nfs/dbraw/zinc/90/90/32/387909032.db2.gz WGCBPZJGLYRIIK-DZGCQCFKSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC23CC3)c(C)n1 ZINC000631666103 387909901 /nfs/dbraw/zinc/90/99/01/387909901.db2.gz WGCBPZJGLYRIIK-HIFRSBDPSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC23CC3)c(C)n1 ZINC000631666109 387909554 /nfs/dbraw/zinc/90/95/54/387909554.db2.gz WGCBPZJGLYRIIK-UKRRQHHQSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC23CC3)c(C)n1 ZINC000631666111 398045437 /nfs/dbraw/zinc/04/54/37/398045437.db2.gz WGCBPZJGLYRIIK-ZFWWWQNUSA-N 1 0 244.382 3.682 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666335 372492275 /nfs/dbraw/zinc/49/22/75/372492275.db2.gz XIPOQLJRKPWQAF-GXTWGEPZSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666336 372492644 /nfs/dbraw/zinc/49/26/44/372492644.db2.gz XIPOQLJRKPWQAF-JSGCOSHPSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666337 372492756 /nfs/dbraw/zinc/49/27/56/372492756.db2.gz XIPOQLJRKPWQAF-OCCSQVGLSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666338 372492015 /nfs/dbraw/zinc/49/20/15/372492015.db2.gz XIPOQLJRKPWQAF-TZMCWYRMSA-N 1 0 248.345 3.594 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000631666390 372492030 /nfs/dbraw/zinc/49/20/30/372492030.db2.gz YFAFFIMYDPPFLV-GXTWGEPZSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCC12CC2 ZINC000631666392 372492227 /nfs/dbraw/zinc/49/22/27/372492227.db2.gz YFAFFIMYDPPFLV-JSGCOSHPSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCC12CC2 ZINC000631666394 372492736 /nfs/dbraw/zinc/49/27/36/372492736.db2.gz YFAFFIMYDPPFLV-OCCSQVGLSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000631666395 372491980 /nfs/dbraw/zinc/49/19/80/372491980.db2.gz YFAFFIMYDPPFLV-TZMCWYRMSA-N 1 0 231.339 3.579 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccsc1 ZINC000631666440 372492193 /nfs/dbraw/zinc/49/21/93/372492193.db2.gz WEYSJVDBYZNKNP-CMPLNLGQSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccsc1 ZINC000631666441 372491869 /nfs/dbraw/zinc/49/18/69/372491869.db2.gz WEYSJVDBYZNKNP-JQWIXIFHSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccsc1 ZINC000631666442 372492580 /nfs/dbraw/zinc/49/25/80/372492580.db2.gz WEYSJVDBYZNKNP-PWSUYJOCSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccsc1 ZINC000631666443 372492631 /nfs/dbraw/zinc/49/26/31/372492631.db2.gz WEYSJVDBYZNKNP-ZYHUDNBSSA-N 1 0 221.369 3.731 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)CC1CCOCC1 ZINC000631682024 372505121 /nfs/dbraw/zinc/50/51/21/372505121.db2.gz CBPRHPMKHCPHKL-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000631682025 372505468 /nfs/dbraw/zinc/50/54/68/372505468.db2.gz CBPRHPMKHCPHKL-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cncs1 ZINC000631682312 372505602 /nfs/dbraw/zinc/50/56/02/372505602.db2.gz DIZIVUXJRVMHCA-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cncs1 ZINC000631682313 372505363 /nfs/dbraw/zinc/50/53/63/372505363.db2.gz DIZIVUXJRVMHCA-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000631682697 372506278 /nfs/dbraw/zinc/50/62/78/372506278.db2.gz HQEHLOPBRADHFA-DZGCQCFKSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000631682698 364532427 /nfs/dbraw/zinc/53/24/27/364532427.db2.gz HQEHLOPBRADHFA-HIFRSBDPSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000631682700 364532310 /nfs/dbraw/zinc/53/23/10/364532310.db2.gz HQEHLOPBRADHFA-UKRRQHHQSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000631682702 364532535 /nfs/dbraw/zinc/53/25/35/364532535.db2.gz HQEHLOPBRADHFA-ZFWWWQNUSA-N 1 0 240.350 3.513 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000631683605 372506421 /nfs/dbraw/zinc/50/64/21/372506421.db2.gz MIHULWAIUASYTR-LLVKDONJSA-N 1 0 249.402 3.570 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000631683611 372506717 /nfs/dbraw/zinc/50/67/17/372506717.db2.gz MIHULWAIUASYTR-NSHDSACASA-N 1 0 249.402 3.570 20 0 BHADRO CCOC1CCC([NH2+]CCC(C)(C)CC)CC1 ZINC000631684518 372506127 /nfs/dbraw/zinc/50/61/27/372506127.db2.gz SDVXYWRIGZVYBZ-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000631684770 364554912 /nfs/dbraw/zinc/55/49/12/364554912.db2.gz URFIRHHCKPRGIR-LLVKDONJSA-N 1 0 238.350 3.698 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000631684771 364555143 /nfs/dbraw/zinc/55/51/43/364555143.db2.gz URFIRHHCKPRGIR-NSHDSACASA-N 1 0 238.350 3.698 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC2CCC2)s1 ZINC000631706293 372516393 /nfs/dbraw/zinc/51/63/93/372516393.db2.gz DAODMBQMYAZJMK-NXEZZACHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC2CCC2)s1 ZINC000631706294 372516271 /nfs/dbraw/zinc/51/62/71/372516271.db2.gz DAODMBQMYAZJMK-UWVGGRQHSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)s1 ZINC000631706295 372516510 /nfs/dbraw/zinc/51/65/10/372516510.db2.gz DAODMBQMYAZJMK-VHSXEESVSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC2CCC2)s1 ZINC000631706296 372516569 /nfs/dbraw/zinc/51/65/69/372516569.db2.gz DAODMBQMYAZJMK-ZJUUUORDSA-N 1 0 238.400 3.681 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706656 372516402 /nfs/dbraw/zinc/51/64/02/372516402.db2.gz KKHCAUSLUZXYPC-NXEZZACHSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706657 372516197 /nfs/dbraw/zinc/51/61/97/372516197.db2.gz KKHCAUSLUZXYPC-UWVGGRQHSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706658 372516612 /nfs/dbraw/zinc/51/66/12/372516612.db2.gz KKHCAUSLUZXYPC-VHSXEESVSA-N 1 0 226.389 3.681 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706659 372516442 /nfs/dbraw/zinc/51/64/42/372516442.db2.gz KKHCAUSLUZXYPC-ZJUUUORDSA-N 1 0 226.389 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)[C@@H]1C[C@H]1C ZINC000631709833 364031323 /nfs/dbraw/zinc/03/13/23/364031323.db2.gz VWLYOVBQJHLSGS-IQIPOGNMSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)[C@H]1C[C@H]1C ZINC000631709836 364031480 /nfs/dbraw/zinc/03/14/80/364031480.db2.gz VWLYOVBQJHLSGS-LSKIRQOJSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)[C@H]1C[C@@H]1C ZINC000631709837 364031409 /nfs/dbraw/zinc/03/14/09/364031409.db2.gz VWLYOVBQJHLSGS-QCMRWSPLSA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)[C@@H]1C[C@@H]1C ZINC000631709838 364031415 /nfs/dbraw/zinc/03/14/15/364031415.db2.gz VWLYOVBQJHLSGS-SPFNVWMYSA-N 1 0 238.400 3.537 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(C)o1)c1cccnc1 ZINC000631729237 372533871 /nfs/dbraw/zinc/53/38/71/372533871.db2.gz AHMXHLFSXVAAFA-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(C)o1)c1cccnc1 ZINC000631729241 372533242 /nfs/dbraw/zinc/53/32/42/372533242.db2.gz AHMXHLFSXVAAFA-OAHLLOKOSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@H](C)[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631731637 372536545 /nfs/dbraw/zinc/53/65/45/372536545.db2.gz QZGFZZCHBHAFCZ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631731638 372536932 /nfs/dbraw/zinc/53/69/32/372536932.db2.gz QZGFZZCHBHAFCZ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631731639 372536492 /nfs/dbraw/zinc/53/64/92/372536492.db2.gz QZGFZZCHBHAFCZ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631731640 372536866 /nfs/dbraw/zinc/53/68/66/372536866.db2.gz QZGFZZCHBHAFCZ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631731779 372536648 /nfs/dbraw/zinc/53/66/48/372536648.db2.gz RUZQTADBLYMUDW-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631731780 372536575 /nfs/dbraw/zinc/53/65/75/372536575.db2.gz RUZQTADBLYMUDW-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631737887 372538712 /nfs/dbraw/zinc/53/87/12/372538712.db2.gz AYHFJTGSWBVRLK-BLLLJJGKSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCc2ncccc21 ZINC000631737888 372537583 /nfs/dbraw/zinc/53/75/83/372537583.db2.gz AYHFJTGSWBVRLK-LRDDRELGSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631737889 372537769 /nfs/dbraw/zinc/53/77/69/372537769.db2.gz AYHFJTGSWBVRLK-MLGOLLRUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCc2ncccc21 ZINC000631737890 372537815 /nfs/dbraw/zinc/53/78/15/372537815.db2.gz AYHFJTGSWBVRLK-WBMJQRKESA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000631738229 364533339 /nfs/dbraw/zinc/53/33/39/364533339.db2.gz IJRBFOZDYCMIMZ-NEPJUHHUSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)C1CCSCC1 ZINC000631738230 364533217 /nfs/dbraw/zinc/53/32/17/364533217.db2.gz IJRBFOZDYCMIMZ-NWDGAFQWSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000631738231 364533185 /nfs/dbraw/zinc/53/31/85/364533185.db2.gz IJRBFOZDYCMIMZ-RYUDHWBXSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)C1CCSCC1 ZINC000631738232 364533893 /nfs/dbraw/zinc/53/38/93/364533893.db2.gz IJRBFOZDYCMIMZ-VXGBXAGGSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCCc2cccnc21 ZINC000631738538 372539586 /nfs/dbraw/zinc/53/95/86/372539586.db2.gz OPUMHLNGIUDOFH-DOMZBBRYSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000631738539 372539993 /nfs/dbraw/zinc/53/99/93/372539993.db2.gz OPUMHLNGIUDOFH-IUODEOHRSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000631738540 372539389 /nfs/dbraw/zinc/53/93/89/372539389.db2.gz OPUMHLNGIUDOFH-SWLSCSKDSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCc2cccnc21 ZINC000631738541 372539975 /nfs/dbraw/zinc/53/99/75/372539975.db2.gz OPUMHLNGIUDOFH-WFASDCNBSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H](C)CC1CCC1 ZINC000631738621 372539898 /nfs/dbraw/zinc/53/98/98/372539898.db2.gz QMRZEHMMHKWJNX-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)CC1CCC1 ZINC000631738622 372539938 /nfs/dbraw/zinc/53/99/38/372539938.db2.gz QMRZEHMMHKWJNX-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000631738623 372539833 /nfs/dbraw/zinc/53/98/33/372539833.db2.gz QMRZEHMMHKWJNX-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)CC1CCC1 ZINC000631738624 372539624 /nfs/dbraw/zinc/53/96/24/372539624.db2.gz QMRZEHMMHKWJNX-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)C(C)(C)C(F)F ZINC000631738740 364537386 /nfs/dbraw/zinc/53/73/86/364537386.db2.gz SWJOZYSZJGDGDO-NXEZZACHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000631738741 364537720 /nfs/dbraw/zinc/53/77/20/364537720.db2.gz SWJOZYSZJGDGDO-UWVGGRQHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)C(C)(C)C(F)F ZINC000631738742 364537859 /nfs/dbraw/zinc/53/78/59/364537859.db2.gz SWJOZYSZJGDGDO-VHSXEESVSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000631738743 364537450 /nfs/dbraw/zinc/53/74/50/364537450.db2.gz SWJOZYSZJGDGDO-ZJUUUORDSA-N 1 0 233.346 3.835 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)CC2CCC2)CC1 ZINC000631738759 372539226 /nfs/dbraw/zinc/53/92/26/372539226.db2.gz UAXNCMZHNQWIJK-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)CC2CCC2)CC1 ZINC000631738760 372539278 /nfs/dbraw/zinc/53/92/78/372539278.db2.gz UAXNCMZHNQWIJK-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)CC2CCC2)c1 ZINC000631738865 372539277 /nfs/dbraw/zinc/53/92/77/372539277.db2.gz VVFXMMZMVXXKOB-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)CC2CCC2)c1 ZINC000631738866 372539433 /nfs/dbraw/zinc/53/94/33/372539433.db2.gz VVFXMMZMVXXKOB-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)c1 ZINC000631738867 372539231 /nfs/dbraw/zinc/53/92/31/372539231.db2.gz VVFXMMZMVXXKOB-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)CC2CCC2)c1 ZINC000631738868 372539264 /nfs/dbraw/zinc/53/92/64/372539264.db2.gz VVFXMMZMVXXKOB-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000631753039 372554304 /nfs/dbraw/zinc/55/43/04/372554304.db2.gz CIHFXTJIIUCSNZ-GMTAPVOTSA-N 1 0 247.304 3.640 20 0 BHADRO FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000631753040 372554284 /nfs/dbraw/zinc/55/42/84/372554284.db2.gz CIHFXTJIIUCSNZ-MXWKQRLJSA-N 1 0 247.304 3.640 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631753353 372555760 /nfs/dbraw/zinc/55/57/60/372555760.db2.gz KCNYHAHGADHRAH-FXBDTBDDSA-N 1 0 249.301 3.658 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631753354 372555113 /nfs/dbraw/zinc/55/51/13/372555113.db2.gz KCNYHAHGADHRAH-SZEHBUNVSA-N 1 0 249.301 3.658 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631753753 372555434 /nfs/dbraw/zinc/55/54/34/372555434.db2.gz SORAPMDUXLKUTP-KXUCPTDWSA-N 1 0 249.301 3.740 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631753754 372555463 /nfs/dbraw/zinc/55/54/63/372555463.db2.gz SORAPMDUXLKUTP-OPRDCNLKSA-N 1 0 249.301 3.740 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755587 372558778 /nfs/dbraw/zinc/55/87/78/372558778.db2.gz CMTBIJPITWEMPN-DJLDLDEBSA-N 1 0 249.301 3.658 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755588 372558115 /nfs/dbraw/zinc/55/81/15/372558115.db2.gz CMTBIJPITWEMPN-IWSPIJDZSA-N 1 0 249.301 3.658 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631755918 372560287 /nfs/dbraw/zinc/56/02/87/372560287.db2.gz GVRSXVISTLSMIH-GRYCIOLGSA-N 1 0 243.272 3.678 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631755919 372559909 /nfs/dbraw/zinc/55/99/09/372559909.db2.gz GVRSXVISTLSMIH-IJLUTSLNSA-N 1 0 243.272 3.678 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631756250 372560118 /nfs/dbraw/zinc/56/01/18/372560118.db2.gz JVZOBTKTLUAFID-GMTAPVOTSA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631756251 372560695 /nfs/dbraw/zinc/56/06/95/372560695.db2.gz JVZOBTKTLUAFID-HBNTYKKESA-N 1 0 235.293 3.662 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756479 372560057 /nfs/dbraw/zinc/56/00/57/372560057.db2.gz LVLWWURRKOKFDH-HRDYMLBCSA-N 1 0 249.301 3.740 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756480 372560002 /nfs/dbraw/zinc/56/00/02/372560002.db2.gz LVLWWURRKOKFDH-IWSPIJDZSA-N 1 0 249.301 3.740 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631756519 372560532 /nfs/dbraw/zinc/56/05/32/372560532.db2.gz MPLFEEGZIJHUPF-MVWJERBFSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631756520 372560472 /nfs/dbraw/zinc/56/04/72/372560472.db2.gz MPLFEEGZIJHUPF-YUSALJHKSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631756979 364678420 /nfs/dbraw/zinc/67/84/20/364678420.db2.gz SYDGQKJUWXJLBZ-MVWJERBFSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631756991 364678915 /nfs/dbraw/zinc/67/89/15/364678915.db2.gz SYDGQKJUWXJLBZ-YUSALJHKSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631756998 364678405 /nfs/dbraw/zinc/67/84/05/364678405.db2.gz TVPLSBNWFHXXNT-MVWJERBFSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631757001 364678652 /nfs/dbraw/zinc/67/86/52/364678652.db2.gz TVPLSBNWFHXXNT-YUSALJHKSA-N 1 0 243.272 3.596 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757011 364678953 /nfs/dbraw/zinc/67/89/53/364678953.db2.gz TYYQDWILRNAHTD-DJLDLDEBSA-N 1 0 249.301 3.658 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757071 364678486 /nfs/dbraw/zinc/67/84/86/364678486.db2.gz TYYQDWILRNAHTD-IWSPIJDZSA-N 1 0 249.301 3.658 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000631795344 372579270 /nfs/dbraw/zinc/57/92/70/372579270.db2.gz IJWQQEFDCVNOMY-HZMBPMFUSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000631795345 372579410 /nfs/dbraw/zinc/57/94/10/372579410.db2.gz IJWQQEFDCVNOMY-IINYFYTJSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000631795346 372580521 /nfs/dbraw/zinc/58/05/21/372580521.db2.gz IJWQQEFDCVNOMY-QMTHXVAHSA-N 1 0 239.309 3.615 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000631795347 372579689 /nfs/dbraw/zinc/57/96/89/372579689.db2.gz IJWQQEFDCVNOMY-YGRLFVJLSA-N 1 0 239.309 3.615 20 0 BHADRO CC[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796153 372580018 /nfs/dbraw/zinc/58/00/18/372580018.db2.gz RXBVISCXPIRKKV-KBPBESRZSA-N 1 0 239.309 3.615 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796154 372579201 /nfs/dbraw/zinc/57/92/01/372579201.db2.gz RXBVISCXPIRKKV-KGLIPLIRSA-N 1 0 239.309 3.615 20 0 BHADRO CC[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796155 372580189 /nfs/dbraw/zinc/58/01/89/372580189.db2.gz RXBVISCXPIRKKV-UONOGXRCSA-N 1 0 239.309 3.615 20 0 BHADRO CC[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796156 372579467 /nfs/dbraw/zinc/57/94/67/372579467.db2.gz RXBVISCXPIRKKV-ZIAGYGMSSA-N 1 0 239.309 3.615 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@H]2CCC23CCC3)[nH]1 ZINC000631807941 372586072 /nfs/dbraw/zinc/58/60/72/372586072.db2.gz QHJXMNXWHAYIKS-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+][C@@H]2CCC23CCC3)[nH]1 ZINC000631807942 372584402 /nfs/dbraw/zinc/58/44/02/372584402.db2.gz QHJXMNXWHAYIKS-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808718 372587408 /nfs/dbraw/zinc/58/74/08/372587408.db2.gz AWTGXURLMVWFBS-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000631808723 372587631 /nfs/dbraw/zinc/58/76/31/372587631.db2.gz AWTGXURLMVWFBS-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808725 372587518 /nfs/dbraw/zinc/58/75/18/372587518.db2.gz AWTGXURLMVWFBS-MELADBBJSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000631808726 372587142 /nfs/dbraw/zinc/58/71/42/372587142.db2.gz AWTGXURLMVWFBS-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808962 368897772 /nfs/dbraw/zinc/89/77/72/368897772.db2.gz KCKFCZMBIMLHHZ-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808963 368898187 /nfs/dbraw/zinc/89/81/87/368898187.db2.gz KCKFCZMBIMLHHZ-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808964 368897857 /nfs/dbraw/zinc/89/78/57/368897857.db2.gz KCKFCZMBIMLHHZ-MELADBBJSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808965 368898005 /nfs/dbraw/zinc/89/80/05/368898005.db2.gz KCKFCZMBIMLHHZ-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809709 372587454 /nfs/dbraw/zinc/58/74/54/372587454.db2.gz SAVMQLNMJICCQA-BFHYXJOUSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631809710 372587134 /nfs/dbraw/zinc/58/71/34/372587134.db2.gz SAVMQLNMJICCQA-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809711 372587308 /nfs/dbraw/zinc/58/73/08/372587308.db2.gz SAVMQLNMJICCQA-MELADBBJSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631809712 372587302 /nfs/dbraw/zinc/58/73/02/372587302.db2.gz SAVMQLNMJICCQA-MJBXVCDLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634684223 343217779 /nfs/dbraw/zinc/21/77/79/343217779.db2.gz KQUWFSXBNYMVCV-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634684224 343217720 /nfs/dbraw/zinc/21/77/20/343217720.db2.gz KQUWFSXBNYMVCV-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634687337 343240996 /nfs/dbraw/zinc/24/09/96/343240996.db2.gz HWBYYRYEKGBMDR-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634687338 343240737 /nfs/dbraw/zinc/24/07/37/343240737.db2.gz HWBYYRYEKGBMDR-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634687339 343240970 /nfs/dbraw/zinc/24/09/70/343240970.db2.gz HWBYYRYEKGBMDR-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634687340 343240805 /nfs/dbraw/zinc/24/08/05/343240805.db2.gz HWBYYRYEKGBMDR-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2ncccc12)C1CC1 ZINC000634687561 343241636 /nfs/dbraw/zinc/24/16/36/343241636.db2.gz PQZQFBDZFZHHCX-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc2ncccc12)C1CC1 ZINC000634687562 343241845 /nfs/dbraw/zinc/24/18/45/343241845.db2.gz PQZQFBDZFZHHCX-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)C1([NH2+]Cc2cccc3ncccc23)CC1 ZINC000634982203 345162198 /nfs/dbraw/zinc/16/21/98/345162198.db2.gz FJNWYQQXQTUBLS-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635020135 345222687 /nfs/dbraw/zinc/22/26/87/345222687.db2.gz KCNCZFRGWDJXTP-KBPBESRZSA-N 1 0 246.398 3.610 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635020137 345222930 /nfs/dbraw/zinc/22/29/30/345222930.db2.gz KCNCZFRGWDJXTP-KGLIPLIRSA-N 1 0 246.398 3.610 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635020138 345222572 /nfs/dbraw/zinc/22/25/72/345222572.db2.gz KCNCZFRGWDJXTP-UONOGXRCSA-N 1 0 246.398 3.610 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635020139 345222883 /nfs/dbraw/zinc/22/28/83/345222883.db2.gz KCNCZFRGWDJXTP-ZIAGYGMSSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)C(C)C ZINC000635020415 345223333 /nfs/dbraw/zinc/22/33/33/345223333.db2.gz LAIZVTVHVYIFCK-DZGCQCFKSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)C(C)C ZINC000635020416 345223245 /nfs/dbraw/zinc/22/32/45/345223245.db2.gz LAIZVTVHVYIFCK-HIFRSBDPSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)C(C)C ZINC000635020417 345223335 /nfs/dbraw/zinc/22/33/35/345223335.db2.gz LAIZVTVHVYIFCK-UKRRQHHQSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CNc2ccccc21)C(C)C ZINC000635020418 345223257 /nfs/dbraw/zinc/22/32/57/345223257.db2.gz LAIZVTVHVYIFCK-ZFWWWQNUSA-N 1 0 246.398 3.610 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)C(C)(C)C ZINC000635020472 345223614 /nfs/dbraw/zinc/22/36/14/345223614.db2.gz LMYZVIADDNNXPO-CHWSQXEVSA-N 1 0 246.398 3.610 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)C(C)(C)C ZINC000635020473 345223327 /nfs/dbraw/zinc/22/33/27/345223327.db2.gz LMYZVIADDNNXPO-OLZOCXBDSA-N 1 0 246.398 3.610 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)C(C)(C)C ZINC000635020474 345223594 /nfs/dbraw/zinc/22/35/94/345223594.db2.gz LMYZVIADDNNXPO-QWHCGFSZSA-N 1 0 246.398 3.610 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)C(C)(C)C ZINC000635020475 345223622 /nfs/dbraw/zinc/22/36/22/345223622.db2.gz LMYZVIADDNNXPO-STQMWFEESA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635024469 345225151 /nfs/dbraw/zinc/22/51/51/345225151.db2.gz YIOGVDKAIIPTEG-BFHYXJOUSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635024470 345225222 /nfs/dbraw/zinc/22/52/22/345225222.db2.gz YIOGVDKAIIPTEG-IHRRRGAJSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635024471 345225514 /nfs/dbraw/zinc/22/55/14/345225514.db2.gz YIOGVDKAIIPTEG-MELADBBJSA-N 1 0 246.398 3.610 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635024472 345225115 /nfs/dbraw/zinc/22/51/15/345225115.db2.gz YIOGVDKAIIPTEG-MJBXVCDLSA-N 1 0 246.398 3.610 20 0 BHADRO Fc1ccc(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000635900422 346105903 /nfs/dbraw/zinc/10/59/03/346105903.db2.gz HQZOBQJDRDPCOB-UHFFFAOYSA-N 1 0 239.721 3.606 20 0 BHADRO CC(C)[N@H+](Cc1ccns1)Cc1ccccc1 ZINC000637809904 386371974 /nfs/dbraw/zinc/37/19/74/386371974.db2.gz CNVTUCUPZPORNC-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000637814221 351658687 /nfs/dbraw/zinc/65/86/87/351658687.db2.gz JKVIQDFHABHKLW-AWEZNQCLSA-N 1 0 232.371 3.588 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000637814222 351659080 /nfs/dbraw/zinc/65/90/80/351659080.db2.gz JKVIQDFHABHKLW-CQSZACIVSA-N 1 0 232.371 3.588 20 0 BHADRO c1ccc([C@@H]2CC[N@H+]2CC2CCSCC2)cc1 ZINC000637814358 351653960 /nfs/dbraw/zinc/65/39/60/351653960.db2.gz ZIIHIRBXHPXORY-HNNXBMFYSA-N 1 0 247.407 3.577 20 0 BHADRO c1ccc([C@H]2CC[N@H+]2CC2CCSCC2)cc1 ZINC000637814359 351654207 /nfs/dbraw/zinc/65/42/07/351654207.db2.gz ZIIHIRBXHPXORY-OAHLLOKOSA-N 1 0 247.407 3.577 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(C(F)F)nc1 ZINC000637831952 351680999 /nfs/dbraw/zinc/68/09/99/351680999.db2.gz DXURKHGXXBNSKP-UHFFFAOYSA-N 1 0 242.313 3.641 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(C(F)F)nc1 ZINC000637834852 351688721 /nfs/dbraw/zinc/68/87/21/351688721.db2.gz AMBZZQXIXAJSMR-UHFFFAOYSA-N 1 0 242.313 3.641 20 0 BHADRO CC(C)[N@H+](CCC[C@H]1CCO1)C1CCCCC1 ZINC000637841276 351697651 /nfs/dbraw/zinc/69/76/51/351697651.db2.gz NZFZCILJDUHVAJ-HNNXBMFYSA-N 1 0 239.403 3.599 20 0 BHADRO CC(C)[N@H+](CCC[C@@H]1CCO1)C1CCCCC1 ZINC000637841283 351697141 /nfs/dbraw/zinc/69/71/41/351697141.db2.gz NZFZCILJDUHVAJ-OAHLLOKOSA-N 1 0 239.403 3.599 20 0 BHADRO Cc1scc(C[N@H+](C)Cc2ccco2)c1C ZINC000637859270 351716472 /nfs/dbraw/zinc/71/64/72/351716472.db2.gz CODQOGZUTHKRLW-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccc2)sn1 ZINC000637871994 351734995 /nfs/dbraw/zinc/73/49/95/351734995.db2.gz XNVGKMWRJCLNLJ-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2)sn1 ZINC000637871995 351734798 /nfs/dbraw/zinc/73/47/98/351734798.db2.gz XNVGKMWRJCLNLJ-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO C(C1CCSCC1)[N@H+](C1CC1)C1CCCC1 ZINC000637900279 351772347 /nfs/dbraw/zinc/77/23/47/351772347.db2.gz UOOWWMLYJSGJMX-UHFFFAOYSA-N 1 0 239.428 3.537 20 0 BHADRO Cc1ccc([C@@H](C)N(C)Cc2ccns2)cc1 ZINC000637901439 351770995 /nfs/dbraw/zinc/77/09/95/351770995.db2.gz LQMIWZBLOZWXQR-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc([C@H](C)N(C)Cc2ccns2)cc1 ZINC000637901440 351771314 /nfs/dbraw/zinc/77/13/14/351771314.db2.gz LQMIWZBLOZWXQR-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCC[C@@H]2CCO2)cc1 ZINC000637902445 351774674 /nfs/dbraw/zinc/77/46/74/351774674.db2.gz SGXZCWIZIJNIPB-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCC[C@@H]2CCO2)cc1 ZINC000637902446 351774823 /nfs/dbraw/zinc/77/48/23/351774823.db2.gz SGXZCWIZIJNIPB-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)CCC[C@H]2CCO2)cc1 ZINC000637902448 351774820 /nfs/dbraw/zinc/77/48/20/351774820.db2.gz SGXZCWIZIJNIPB-HOCLYGCPSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)CCC[C@H]2CCO2)cc1 ZINC000637902449 351774854 /nfs/dbraw/zinc/77/48/54/351774854.db2.gz SGXZCWIZIJNIPB-ZBFHGGJFSA-N 1 0 247.382 3.557 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccns1 ZINC000637902871 351775653 /nfs/dbraw/zinc/77/56/53/351775653.db2.gz VYGNJFUZPQEJEO-AWEZNQCLSA-N 1 0 246.379 3.726 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)Cc1ccns1 ZINC000637902872 351775549 /nfs/dbraw/zinc/77/55/49/351775549.db2.gz VYGNJFUZPQEJEO-CQSZACIVSA-N 1 0 246.379 3.726 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000637910898 351784745 /nfs/dbraw/zinc/78/47/45/351784745.db2.gz GTWDEZSMTZFCJC-JTQLQIEISA-N 1 0 242.313 3.640 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000637910899 351784791 /nfs/dbraw/zinc/78/47/91/351784791.db2.gz GTWDEZSMTZFCJC-SNVBAGLBSA-N 1 0 242.313 3.640 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000637914037 351788576 /nfs/dbraw/zinc/78/85/76/351788576.db2.gz WAFOTZGRVAFWPD-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000637914038 351788592 /nfs/dbraw/zinc/78/85/92/351788592.db2.gz WAFOTZGRVAFWPD-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@](C)(C[N@H+](C)[C@@H](C)c1cccs1)OC ZINC000637919779 351793587 /nfs/dbraw/zinc/79/35/87/351793587.db2.gz NDRSCKFOIMXNEP-AAEUAGOBSA-N 1 0 241.400 3.556 20 0 BHADRO CC[C@](C)(C[N@H+](C)[C@H](C)c1cccs1)OC ZINC000637919797 351795243 /nfs/dbraw/zinc/79/52/43/351795243.db2.gz NDRSCKFOIMXNEP-DGCLKSJQSA-N 1 0 241.400 3.556 20 0 BHADRO CC[C@](C)(C[N@H+](C)[C@@H](C)c1cccs1)OC ZINC000637919802 351794626 /nfs/dbraw/zinc/79/46/26/351794626.db2.gz NDRSCKFOIMXNEP-WCQYABFASA-N 1 0 241.400 3.556 20 0 BHADRO CC[C@@](C)(C[N@H+](C)[C@H](C)c1cccs1)OC ZINC000637919805 351794598 /nfs/dbraw/zinc/79/45/98/351794598.db2.gz NDRSCKFOIMXNEP-YPMHNXCESA-N 1 0 241.400 3.556 20 0 BHADRO CCC[N@H+](CC(C)C)[C@H](C)c1cnc(C)nc1C ZINC000637924760 351797541 /nfs/dbraw/zinc/79/75/41/351797541.db2.gz CRRDOSACGCKQDM-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[N@H+](CC(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000637924761 351797577 /nfs/dbraw/zinc/79/75/77/351797577.db2.gz CRRDOSACGCKQDM-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)[N@H+](Cc1cccc2ncccc12)C1CC1 ZINC000637925239 351798726 /nfs/dbraw/zinc/79/87/26/351798726.db2.gz AMULOYXXJKRGCA-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO Cc1ncc([C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000637930430 351806759 /nfs/dbraw/zinc/80/67/59/351806759.db2.gz NMLINBVYACNZJX-NEPJUHHUSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1ncc([C@H](C)[N@H+](C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000637930431 351807247 /nfs/dbraw/zinc/80/72/47/351807247.db2.gz NMLINBVYACNZJX-NWDGAFQWSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1ncc([C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000637930432 351806800 /nfs/dbraw/zinc/80/68/00/351806800.db2.gz NMLINBVYACNZJX-RYUDHWBXSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1ncc([C@@H](C)[N@H+](C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000637930433 351806893 /nfs/dbraw/zinc/80/68/93/351806893.db2.gz NMLINBVYACNZJX-VXGBXAGGSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1ncc([C@@H](C)[N@H+](CC(C)C)C(C)C)c(C)n1 ZINC000637944189 351821257 /nfs/dbraw/zinc/82/12/57/351821257.db2.gz YSJUEDCWOZCBKK-CYBMUJFWSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1ncc([C@H](C)[N@H+](CC(C)C)C(C)C)c(C)n1 ZINC000637944191 351821294 /nfs/dbraw/zinc/82/12/94/351821294.db2.gz YSJUEDCWOZCBKK-ZDUSSCGKSA-N 1 0 249.402 3.521 20 0 BHADRO Cc1cc([C@H]2CCC[N@H+]2CC2(C(C)C)CC2)on1 ZINC000637948780 351823498 /nfs/dbraw/zinc/82/34/98/351823498.db2.gz REVBFGXGSDBJGA-CYBMUJFWSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cc([C@@H]2CCC[N@H+]2CC2(C(C)C)CC2)on1 ZINC000637948781 351823931 /nfs/dbraw/zinc/82/39/31/351823931.db2.gz REVBFGXGSDBJGA-ZDUSSCGKSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1scc(C[N@H+](C)Cc2ccoc2)c1C ZINC000637965631 351839622 /nfs/dbraw/zinc/83/96/22/351839622.db2.gz LMZHACGBCJGGSM-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO CC[N@@H+]([C@H](C)c1cnc(C)nc1C)[C@H](C)C(C)C ZINC000637978183 351852188 /nfs/dbraw/zinc/85/21/88/351852188.db2.gz MROJKTVJCGTXPI-CHWSQXEVSA-N 1 0 249.402 3.521 20 0 BHADRO CC[N@H+]([C@H](C)C(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000637978184 351852356 /nfs/dbraw/zinc/85/23/56/351852356.db2.gz MROJKTVJCGTXPI-OLZOCXBDSA-N 1 0 249.402 3.521 20 0 BHADRO CC[N@@H+]([C@H](C)c1cnc(C)nc1C)[C@@H](C)C(C)C ZINC000637978186 351852850 /nfs/dbraw/zinc/85/28/50/351852850.db2.gz MROJKTVJCGTXPI-QWHCGFSZSA-N 1 0 249.402 3.521 20 0 BHADRO CC[N@@H+]([C@@H](C)c1cnc(C)nc1C)[C@@H](C)C(C)C ZINC000637978188 351852308 /nfs/dbraw/zinc/85/23/08/351852308.db2.gz MROJKTVJCGTXPI-STQMWFEESA-N 1 0 249.402 3.521 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000638062140 351934522 /nfs/dbraw/zinc/93/45/22/351934522.db2.gz KSKGRZKVSAYLQM-UHFFFAOYSA-N 1 0 242.313 3.640 20 0 BHADRO Cc1cc(CN2Cc3ccccc3[C@@H]2C)sn1 ZINC000638095012 351972164 /nfs/dbraw/zinc/97/21/64/351972164.db2.gz ODAQHEGXKITFML-NSHDSACASA-N 1 0 244.363 3.528 20 0 BHADRO CC[N@H+](Cc1cccc2ncccc12)C1CCC1 ZINC000638104526 351983654 /nfs/dbraw/zinc/98/36/54/351983654.db2.gz JBVKRWKQPXGYLT-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C(C1CCSCC1)[NH+]1C2CCCC1CCC2 ZINC000638122080 351995698 /nfs/dbraw/zinc/99/56/98/351995698.db2.gz KZLDHCZECHLPIZ-UHFFFAOYSA-N 1 0 239.428 3.537 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000638153457 352017721 /nfs/dbraw/zinc/01/77/21/352017721.db2.gz JYEFQRLWCHVGGX-AAEUAGOBSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000638153463 352017270 /nfs/dbraw/zinc/01/72/70/352017270.db2.gz JYEFQRLWCHVGGX-DGCLKSJQSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000638153464 352017558 /nfs/dbraw/zinc/01/75/58/352017558.db2.gz JYEFQRLWCHVGGX-WCQYABFASA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000638153465 352017772 /nfs/dbraw/zinc/01/77/72/352017772.db2.gz JYEFQRLWCHVGGX-YPMHNXCESA-N 1 0 249.402 3.522 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCC[C@H]1CCO1 ZINC000638177684 352044895 /nfs/dbraw/zinc/04/48/95/352044895.db2.gz LWPLRBZRDQLKAC-CABCVRRESA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCC[C@H]1CCO1 ZINC000638177685 352045429 /nfs/dbraw/zinc/04/54/29/352045429.db2.gz LWPLRBZRDQLKAC-GJZGRUSLSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000638177686 352044811 /nfs/dbraw/zinc/04/48/11/352044811.db2.gz LWPLRBZRDQLKAC-HUUCEWRRSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000638177687 352045350 /nfs/dbraw/zinc/04/53/50/352045350.db2.gz LWPLRBZRDQLKAC-LSDHHAIUSA-N 1 0 239.403 3.600 20 0 BHADRO c1c(C[NH2+]CCCC2CCCC2)onc1C1CC1 ZINC000638277468 352112188 /nfs/dbraw/zinc/11/21/88/352112188.db2.gz AZFIYMQXFDLLOP-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CC1(F)F ZINC000638279877 352116554 /nfs/dbraw/zinc/11/65/54/352116554.db2.gz WNEZIJCDYNHTFW-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CC1(F)F ZINC000638279904 352116017 /nfs/dbraw/zinc/11/60/17/352116017.db2.gz WNEZIJCDYNHTFW-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CC1(F)F ZINC000638279906 352116510 /nfs/dbraw/zinc/11/65/10/352116510.db2.gz WNEZIJCDYNHTFW-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CC1(F)F ZINC000638279908 352116088 /nfs/dbraw/zinc/11/60/88/352116088.db2.gz WNEZIJCDYNHTFW-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638283934 352119862 /nfs/dbraw/zinc/11/98/62/352119862.db2.gz NWVXKDRKXZRFLV-CVEARBPZSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638283935 352119900 /nfs/dbraw/zinc/11/99/00/352119900.db2.gz NWVXKDRKXZRFLV-HOTGVXAUSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638283937 352119924 /nfs/dbraw/zinc/11/99/24/352119924.db2.gz NWVXKDRKXZRFLV-HZPDHXFCSA-N 1 0 247.382 3.687 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638283938 352119858 /nfs/dbraw/zinc/11/98/58/352119858.db2.gz NWVXKDRKXZRFLV-JKSUJKDBSA-N 1 0 247.382 3.687 20 0 BHADRO c1cncc(C[NH2+]C2CCC(=C3CCC3)CC2)c1 ZINC000638286123 352121257 /nfs/dbraw/zinc/12/12/57/352121257.db2.gz LFAXHIYKJGWTPS-UHFFFAOYSA-N 1 0 242.366 3.594 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000638291142 352127131 /nfs/dbraw/zinc/12/71/31/352127131.db2.gz ZZWHXNPIJCSJPW-DZGCQCFKSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000638291156 352127108 /nfs/dbraw/zinc/12/71/08/352127108.db2.gz ZZWHXNPIJCSJPW-HIFRSBDPSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000638291158 352127313 /nfs/dbraw/zinc/12/73/13/352127313.db2.gz ZZWHXNPIJCSJPW-UKRRQHHQSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000638291164 352127007 /nfs/dbraw/zinc/12/70/07/352127007.db2.gz ZZWHXNPIJCSJPW-ZFWWWQNUSA-N 1 0 235.371 3.541 20 0 BHADRO CC[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccc(C)cc1 ZINC000638295616 352129040 /nfs/dbraw/zinc/12/90/40/352129040.db2.gz WIXLAYGQTMLDAQ-CVEARBPZSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@H]([NH2+]CCC[C@H]1CCO1)c1ccc(C)cc1 ZINC000638295628 352129525 /nfs/dbraw/zinc/12/95/25/352129525.db2.gz WIXLAYGQTMLDAQ-HOTGVXAUSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccc(C)cc1 ZINC000638295630 352128916 /nfs/dbraw/zinc/12/89/16/352128916.db2.gz WIXLAYGQTMLDAQ-HZPDHXFCSA-N 1 0 247.382 3.605 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccc(C)cc1 ZINC000638295805 352129286 /nfs/dbraw/zinc/12/92/86/352129286.db2.gz WIXLAYGQTMLDAQ-JKSUJKDBSA-N 1 0 247.382 3.605 20 0 BHADRO CCOC1CC(C[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000638300304 352132171 /nfs/dbraw/zinc/13/21/71/352132171.db2.gz GTWRHXKSAVAVSW-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(C[NH2+][C@H](C)CCCC(C)C)C1 ZINC000638300316 352131795 /nfs/dbraw/zinc/13/17/95/352131795.db2.gz GTWRHXKSAVAVSW-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)O[C@@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000638302195 352133697 /nfs/dbraw/zinc/13/36/97/352133697.db2.gz GXUBUUMLIKULFS-BBRMVZONSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)O[C@@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000638302196 352133640 /nfs/dbraw/zinc/13/36/40/352133640.db2.gz GXUBUUMLIKULFS-CJNGLKHVSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)O[C@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000638302197 352133501 /nfs/dbraw/zinc/13/35/01/352133501.db2.gz GXUBUUMLIKULFS-CZUORRHYSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)O[C@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000638302198 352133523 /nfs/dbraw/zinc/13/35/23/352133523.db2.gz GXUBUUMLIKULFS-XJKSGUPXSA-N 1 0 247.382 3.541 20 0 BHADRO CC1([NH2+]Cc2nc3ccccc3o2)CCCCC1 ZINC000638305617 352134463 /nfs/dbraw/zinc/13/44/63/352134463.db2.gz CSLZXBNPMLOVOJ-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CC(C)[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638315349 352140591 /nfs/dbraw/zinc/14/05/91/352140591.db2.gz BZWSVUWKCMJSHT-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638315350 352140839 /nfs/dbraw/zinc/14/08/39/352140839.db2.gz BZWSVUWKCMJSHT-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638315352 352140875 /nfs/dbraw/zinc/14/08/75/352140875.db2.gz BZWSVUWKCMJSHT-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638315356 352140773 /nfs/dbraw/zinc/14/07/73/352140773.db2.gz BZWSVUWKCMJSHT-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CC1(F)F ZINC000638319621 352143191 /nfs/dbraw/zinc/14/31/91/352143191.db2.gz WWGMZMMPYHTEMT-CMPLNLGQSA-N 1 0 229.314 3.510 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC1(F)F ZINC000638319622 352143307 /nfs/dbraw/zinc/14/33/07/352143307.db2.gz WWGMZMMPYHTEMT-JQWIXIFHSA-N 1 0 229.314 3.510 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CC1(F)F ZINC000638319623 352143005 /nfs/dbraw/zinc/14/30/05/352143005.db2.gz WWGMZMMPYHTEMT-PWSUYJOCSA-N 1 0 229.314 3.510 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CC1(F)F ZINC000638319624 352143083 /nfs/dbraw/zinc/14/30/83/352143083.db2.gz WWGMZMMPYHTEMT-ZYHUDNBSSA-N 1 0 229.314 3.510 20 0 BHADRO c1c(C[NH2+]CCC2CCCCC2)onc1C1CC1 ZINC000638332743 352150954 /nfs/dbraw/zinc/15/09/54/352150954.db2.gz JZNMSRVUYGPJFB-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO C(C[C@H]1CCCO1)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638349732 386240095 /nfs/dbraw/zinc/24/00/95/386240095.db2.gz UCUHQINUTVVMTJ-MRXNPFEDSA-N 1 0 249.398 3.568 20 0 BHADRO C(C[NH2+]CCCC1CCCCC1)C[C@H]1CCO1 ZINC000638359334 352172215 /nfs/dbraw/zinc/17/22/15/352172215.db2.gz JZTWDPMOFJOXCI-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[NH2+]CCCC1CCCCC1)C[C@@H]1CCO1 ZINC000638359335 352172331 /nfs/dbraw/zinc/17/23/31/352172331.db2.gz JZTWDPMOFJOXCI-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO COCCCC[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000638370982 352184509 /nfs/dbraw/zinc/18/45/09/352184509.db2.gz HURZSMIKFIXILF-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO COCCCC[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000638370983 352184460 /nfs/dbraw/zinc/18/44/60/352184460.db2.gz HURZSMIKFIXILF-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO COCCCC[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000638370984 352184504 /nfs/dbraw/zinc/18/45/04/352184504.db2.gz HURZSMIKFIXILF-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO COCCCC[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000638370986 352184336 /nfs/dbraw/zinc/18/43/36/352184336.db2.gz HURZSMIKFIXILF-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CCC1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638388958 352196093 /nfs/dbraw/zinc/19/60/93/352196093.db2.gz KMIVBJPIOODCLP-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO c1csc(C[NH2+]C2CCC(=C3CCC3)CC2)n1 ZINC000638397602 352201684 /nfs/dbraw/zinc/20/16/84/352201684.db2.gz UEKZPTNOUWRCRJ-UHFFFAOYSA-N 1 0 248.395 3.656 20 0 BHADRO CCCC1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638415926 352223471 /nfs/dbraw/zinc/22/34/71/352223471.db2.gz RGWDBKXNUQYSPI-NRXISQOPSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638415927 352223822 /nfs/dbraw/zinc/22/38/22/352223822.db2.gz RGWDBKXNUQYSPI-YMAMQOFZSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)no1 ZINC000638420873 352229038 /nfs/dbraw/zinc/22/90/38/352229038.db2.gz QBKYJZLOZWLPDT-KBPBESRZSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)no1 ZINC000638420874 352228802 /nfs/dbraw/zinc/22/88/02/352228802.db2.gz QBKYJZLOZWLPDT-KGLIPLIRSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)no1 ZINC000638420875 352229131 /nfs/dbraw/zinc/22/91/31/352229131.db2.gz QBKYJZLOZWLPDT-UONOGXRCSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)no1 ZINC000638420876 352229122 /nfs/dbraw/zinc/22/91/22/352229122.db2.gz QBKYJZLOZWLPDT-ZIAGYGMSSA-N 1 0 248.370 3.598 20 0 BHADRO CC[C@H]([NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000638482277 352290578 /nfs/dbraw/zinc/29/05/78/352290578.db2.gz PZHLWZAEUHOXBH-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000638482278 352290786 /nfs/dbraw/zinc/29/07/86/352290786.db2.gz PZHLWZAEUHOXBH-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000638482279 352290701 /nfs/dbraw/zinc/29/07/01/352290701.db2.gz PZHLWZAEUHOXBH-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000638482282 352290582 /nfs/dbraw/zinc/29/05/82/352290582.db2.gz PZHLWZAEUHOXBH-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638511320 352336448 /nfs/dbraw/zinc/33/64/48/352336448.db2.gz ZFIUFJSLKNZODQ-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638511322 352336421 /nfs/dbraw/zinc/33/64/21/352336421.db2.gz ZFIUFJSLKNZODQ-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638511323 352336436 /nfs/dbraw/zinc/33/64/36/352336436.db2.gz ZFIUFJSLKNZODQ-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638511324 352336504 /nfs/dbraw/zinc/33/65/04/352336504.db2.gz ZFIUFJSLKNZODQ-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638518743 352350635 /nfs/dbraw/zinc/35/06/35/352350635.db2.gz ONFISMJHYNTYEJ-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638518744 352350703 /nfs/dbraw/zinc/35/07/03/352350703.db2.gz ONFISMJHYNTYEJ-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638518745 352350613 /nfs/dbraw/zinc/35/06/13/352350613.db2.gz ONFISMJHYNTYEJ-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638518746 352350507 /nfs/dbraw/zinc/35/05/07/352350507.db2.gz ONFISMJHYNTYEJ-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CC1CCC(C)([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638525619 352359730 /nfs/dbraw/zinc/35/97/30/352359730.db2.gz VWVHPHPSOMMCIL-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638531625 352363947 /nfs/dbraw/zinc/36/39/47/352363947.db2.gz DHWDUXZNOLGPRC-GDBMZVCRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638531628 352363680 /nfs/dbraw/zinc/36/36/80/352363680.db2.gz DHWDUXZNOLGPRC-GOEBONIOSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@H](C)[NH2+]CCC[C@H]2CCO2)c1 ZINC000638531629 352363853 /nfs/dbraw/zinc/36/38/53/352363853.db2.gz DHWDUXZNOLGPRC-HOCLYGCPSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC[C@H]2CCO2)c1 ZINC000638531631 352363481 /nfs/dbraw/zinc/36/34/81/352363481.db2.gz DHWDUXZNOLGPRC-ZBFHGGJFSA-N 1 0 247.382 3.523 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000638534903 352366478 /nfs/dbraw/zinc/36/64/78/352366478.db2.gz IDZDVSYSGSGJFR-LXTVHRRPSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000638534905 352366572 /nfs/dbraw/zinc/36/65/72/352366572.db2.gz IDZDVSYSGSGJFR-XGUBFFRZSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCC[C@H]1CCO1 ZINC000638535974 352367032 /nfs/dbraw/zinc/36/70/32/352367032.db2.gz UMJQFAGBPDCLRJ-HNNXBMFYSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+]CCC[C@@H]1CCO1 ZINC000638535980 352367045 /nfs/dbraw/zinc/36/70/45/352367045.db2.gz UMJQFAGBPDCLRJ-OAHLLOKOSA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(C[NH2+]CCCCC(C)(C)C)C1 ZINC000638537418 398120804 /nfs/dbraw/zinc/12/08/04/398120804.db2.gz DUXWGFPGIXREEP-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC[C@H]2CCO2)c1C ZINC000638600368 352433577 /nfs/dbraw/zinc/43/35/77/352433577.db2.gz WPYNZOQGJBRQAZ-CABCVRRESA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC[C@H]2CCO2)c1C ZINC000638600369 352433348 /nfs/dbraw/zinc/43/33/48/352433348.db2.gz WPYNZOQGJBRQAZ-GJZGRUSLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCO2)c1C ZINC000638600370 352433536 /nfs/dbraw/zinc/43/35/36/352433536.db2.gz WPYNZOQGJBRQAZ-HUUCEWRRSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCO2)c1C ZINC000638600371 352433769 /nfs/dbraw/zinc/43/37/69/352433769.db2.gz WPYNZOQGJBRQAZ-LSDHHAIUSA-N 1 0 247.382 3.523 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CC1(F)F ZINC000638629211 352469980 /nfs/dbraw/zinc/46/99/80/352469980.db2.gz YXCGBOFGVAOTCJ-JZRPKSSGSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CC1(F)F ZINC000638629214 352470166 /nfs/dbraw/zinc/47/01/66/352470166.db2.gz YXCGBOFGVAOTCJ-KIJLLGNVSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CC1(F)F ZINC000638629219 352470156 /nfs/dbraw/zinc/47/01/56/352470156.db2.gz YXCGBOFGVAOTCJ-NWBUJAPZSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CC1(F)F ZINC000638629220 352470050 /nfs/dbraw/zinc/47/00/50/352470050.db2.gz YXCGBOFGVAOTCJ-YYHQMBLXSA-N 1 0 243.341 3.589 20 0 BHADRO CCOC1CC(C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000638660609 352503467 /nfs/dbraw/zinc/50/34/67/352503467.db2.gz UDDHGHTZAYOPRQ-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO CCOC1CC(C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000638660610 386338738 /nfs/dbraw/zinc/33/87/38/386338738.db2.gz UDDHGHTZAYOPRQ-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638676296 352516202 /nfs/dbraw/zinc/51/62/02/352516202.db2.gz RWRCMLIRSGDDNF-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO C(CCC1CCCC1)C[NH2+]CCC[C@H]1CCO1 ZINC000638693484 352530200 /nfs/dbraw/zinc/53/02/00/352530200.db2.gz UGOWUBWFYWXMKL-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(CCC1CCCC1)C[NH2+]CCC[C@@H]1CCO1 ZINC000638693485 352530672 /nfs/dbraw/zinc/53/06/72/352530672.db2.gz UGOWUBWFYWXMKL-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO FC(F)(F)CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638697073 352535204 /nfs/dbraw/zinc/53/52/04/352535204.db2.gz ANXAKMMORGTMCH-UHFFFAOYSA-N 1 0 247.304 3.952 20 0 BHADRO C1CC(=C2CCC([NH2+][C@H]3CCSC3)CC2)C1 ZINC000638714888 352558709 /nfs/dbraw/zinc/55/87/09/352558709.db2.gz OSAHSUITOLSCSO-AWEZNQCLSA-N 1 0 237.412 3.505 20 0 BHADRO C1CC(=C2CCC([NH2+][C@@H]3CCSC3)CC2)C1 ZINC000638714889 352558647 /nfs/dbraw/zinc/55/86/47/352558647.db2.gz OSAHSUITOLSCSO-CQSZACIVSA-N 1 0 237.412 3.505 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638732172 352600028 /nfs/dbraw/zinc/60/00/28/352600028.db2.gz LVWVQDREGWPKCG-GHMZBOCLSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638732177 352600475 /nfs/dbraw/zinc/60/04/75/352600475.db2.gz LVWVQDREGWPKCG-MNOVXSKESA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638732178 352600166 /nfs/dbraw/zinc/60/01/66/352600166.db2.gz LVWVQDREGWPKCG-QWRGUYRKSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638732179 352599917 /nfs/dbraw/zinc/59/99/17/352599917.db2.gz LVWVQDREGWPKCG-WDEREUQCSA-N 1 0 233.346 3.692 20 0 BHADRO CCCC[C@H](CCC)[NH2+]CCC[C@H]1CCO1 ZINC000638733954 398173505 /nfs/dbraw/zinc/17/35/05/398173505.db2.gz JGDZLWXAGSFZPH-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]CCC[C@H]1CCO1 ZINC000638733955 398173402 /nfs/dbraw/zinc/17/34/02/398173402.db2.gz JGDZLWXAGSFZPH-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CCC)[NH2+]CCC[C@@H]1CCO1 ZINC000638733956 398173474 /nfs/dbraw/zinc/17/34/74/398173474.db2.gz JGDZLWXAGSFZPH-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]CCC[C@@H]1CCO1 ZINC000638733957 398173503 /nfs/dbraw/zinc/17/35/03/398173503.db2.gz JGDZLWXAGSFZPH-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C1CC(n2cccn2)C1 ZINC000638735057 352639964 /nfs/dbraw/zinc/63/99/64/352639964.db2.gz NLIVRKRKFYMQTK-NFOMZHRRSA-N 1 0 249.402 3.535 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C1CC(n2cccn2)C1 ZINC000638735058 352639918 /nfs/dbraw/zinc/63/99/18/352639918.db2.gz NLIVRKRKFYMQTK-WLYUNCDWSA-N 1 0 249.402 3.535 20 0 BHADRO CCC1(C[NH2+]Cc2cc(C3CC3)no2)CCCC1 ZINC000638738631 352663941 /nfs/dbraw/zinc/66/39/41/352663941.db2.gz LUMXCBPVDJPPMG-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@H]2CC2(F)F)CCCC1 ZINC000638739581 352670860 /nfs/dbraw/zinc/67/08/60/352670860.db2.gz TVECJBOKKVPJRX-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(C[NH2+][C@H](C)[C@@H]2CC2(F)F)CCCC1 ZINC000638739582 352670918 /nfs/dbraw/zinc/67/09/18/352670918.db2.gz TVECJBOKKVPJRX-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)CCCC1 ZINC000638739583 352670755 /nfs/dbraw/zinc/67/07/55/352670755.db2.gz TVECJBOKKVPJRX-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1(C[NH2+][C@@H](C)[C@H]2CC2(F)F)CCCC1 ZINC000638739584 352670632 /nfs/dbraw/zinc/67/06/32/352670632.db2.gz TVECJBOKKVPJRX-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+]Cc2cc(C3CC3)no2)CCC1 ZINC000638747764 352682412 /nfs/dbraw/zinc/68/24/12/352682412.db2.gz JGRZLKXMGDPWIV-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638747981 352683132 /nfs/dbraw/zinc/68/31/32/352683132.db2.gz FPLZHLWIFQQUCT-NDBYEHHHSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638747983 352682870 /nfs/dbraw/zinc/68/28/70/352682870.db2.gz FPLZHLWIFQQUCT-XQHKEYJVSA-N 1 0 243.341 3.590 20 0 BHADRO CCCC1(C[NH2+][C@H](C)[C@H]2CC2(F)F)CCC1 ZINC000638749448 352683693 /nfs/dbraw/zinc/68/36/93/352683693.db2.gz PGVPQVUACMFBBQ-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+][C@H](C)[C@@H]2CC2(F)F)CCC1 ZINC000638749449 352683634 /nfs/dbraw/zinc/68/36/34/352683634.db2.gz PGVPQVUACMFBBQ-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)CCC1 ZINC000638749450 352683349 /nfs/dbraw/zinc/68/33/49/352683349.db2.gz PGVPQVUACMFBBQ-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)[C@H]2CC2(F)F)CCC1 ZINC000638749451 352683458 /nfs/dbraw/zinc/68/34/58/352683458.db2.gz PGVPQVUACMFBBQ-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)C1(C[NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000638750967 352681468 /nfs/dbraw/zinc/68/14/68/352681468.db2.gz OXYKHMMNZOCMBB-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)C1(C[NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000638750968 352681522 /nfs/dbraw/zinc/68/15/22/352681522.db2.gz OXYKHMMNZOCMBB-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@H]1CC1(F)F ZINC000638758920 352695292 /nfs/dbraw/zinc/69/52/92/352695292.db2.gz DPFWKBIJEVMWEU-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CC1(F)F ZINC000638758921 352695262 /nfs/dbraw/zinc/69/52/62/352695262.db2.gz DPFWKBIJEVMWEU-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CCOC1CC(C[NH2+]CC(CC)(CC)CC)C1 ZINC000638758929 352695001 /nfs/dbraw/zinc/69/50/01/352695001.db2.gz GDRPLQUWCVGYLT-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CC1(F)F ZINC000638759022 352690256 /nfs/dbraw/zinc/69/02/56/352690256.db2.gz DPFWKBIJEVMWEU-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCC1)[C@H]1CC1(F)F ZINC000638759023 352690079 /nfs/dbraw/zinc/69/00/79/352690079.db2.gz DPFWKBIJEVMWEU-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+]Cc2cc(C3CC3)no2)CCCCC1 ZINC000638759205 352690870 /nfs/dbraw/zinc/69/08/70/352690870.db2.gz HIIFCIBRNBQNRX-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO C1=CCC([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638759216 352690917 /nfs/dbraw/zinc/69/09/17/352690917.db2.gz IOIBHMCWCUMLJX-UHFFFAOYSA-N 1 0 217.356 3.718 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000638801605 352944750 /nfs/dbraw/zinc/94/47/50/352944750.db2.gz YXWVWRNOCAIOGR-BLLLJJGKSA-N 1 0 249.398 3.567 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000638801606 352944647 /nfs/dbraw/zinc/94/46/47/352944647.db2.gz YXWVWRNOCAIOGR-LRDDRELGSA-N 1 0 249.398 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000638801607 352944698 /nfs/dbraw/zinc/94/46/98/352944698.db2.gz YXWVWRNOCAIOGR-MLGOLLRUSA-N 1 0 249.398 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000638801608 352944388 /nfs/dbraw/zinc/94/43/88/352944388.db2.gz YXWVWRNOCAIOGR-WBMJQRKESA-N 1 0 249.398 3.567 20 0 BHADRO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000638827796 353016402 /nfs/dbraw/zinc/01/64/02/353016402.db2.gz IANLHDPOPIPDPU-BFHYXJOUSA-N 1 0 247.386 3.585 20 0 BHADRO CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000638827797 353016327 /nfs/dbraw/zinc/01/63/27/353016327.db2.gz IANLHDPOPIPDPU-HZSPNIEDSA-N 1 0 247.386 3.585 20 0 BHADRO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000638827798 353016375 /nfs/dbraw/zinc/01/63/75/353016375.db2.gz IANLHDPOPIPDPU-MELADBBJSA-N 1 0 247.386 3.585 20 0 BHADRO CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000638827799 353016355 /nfs/dbraw/zinc/01/63/55/353016355.db2.gz IANLHDPOPIPDPU-MGPQQGTHSA-N 1 0 247.386 3.585 20 0 BHADRO CC1(C[NH2+]CCC[C@H]2CCO2)CCCCCC1 ZINC000638840592 353017061 /nfs/dbraw/zinc/01/70/61/353017061.db2.gz QJEIYDIHBUHXPJ-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CC1(C[NH2+]CCC[C@@H]2CCO2)CCCCCC1 ZINC000638840593 353016961 /nfs/dbraw/zinc/01/69/61/353016961.db2.gz QJEIYDIHBUHXPJ-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO C1CC(=C2CCC([NH2+][C@H]3CCCOCC3)CC2)C1 ZINC000638842491 353018709 /nfs/dbraw/zinc/01/87/09/353018709.db2.gz SIDNNQUKUVSTJY-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO C1CC(=C2CCC([NH2+][C@@H]3CCCOCC3)CC2)C1 ZINC000638842492 353018631 /nfs/dbraw/zinc/01/86/31/353018631.db2.gz SIDNNQUKUVSTJY-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)on1 ZINC000638865647 353039917 /nfs/dbraw/zinc/03/99/17/353039917.db2.gz JMWOIIDTAYRTLO-KBPBESRZSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)on1 ZINC000638865648 353039828 /nfs/dbraw/zinc/03/98/28/353039828.db2.gz JMWOIIDTAYRTLO-KGLIPLIRSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)on1 ZINC000638865649 353040003 /nfs/dbraw/zinc/04/00/03/353040003.db2.gz JMWOIIDTAYRTLO-UONOGXRCSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)on1 ZINC000638865650 353039709 /nfs/dbraw/zinc/03/97/09/353039709.db2.gz JMWOIIDTAYRTLO-ZIAGYGMSSA-N 1 0 248.370 3.598 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)[C@H]1CC1(F)F ZINC000638874935 353044909 /nfs/dbraw/zinc/04/49/09/353044909.db2.gz ZIROUBCEFDVMCP-FTYKPCCVSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CC1(F)F ZINC000638874936 353045036 /nfs/dbraw/zinc/04/50/36/353045036.db2.gz ZIROUBCEFDVMCP-WKSBVSIWSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000638874937 353044940 /nfs/dbraw/zinc/04/49/40/353044940.db2.gz ZIROUBCEFDVMCP-XYJRDEOASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000638874938 353044984 /nfs/dbraw/zinc/04/49/84/353044984.db2.gz ZIROUBCEFDVMCP-ZBAXXZLZSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H](Nc1cccc2ccncc21)[C@H]1CC1(F)F ZINC000638883775 353050869 /nfs/dbraw/zinc/05/08/69/353050869.db2.gz AXRBDUFBSOYYHD-BXKDBHETSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@H](Nc1cccc2ccncc21)[C@@H]1CC1(F)F ZINC000638883776 353050992 /nfs/dbraw/zinc/05/09/92/353050992.db2.gz AXRBDUFBSOYYHD-CABZTGNLSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@H](Nc1cccc2ccncc21)[C@H]1CC1(F)F ZINC000638883777 353050706 /nfs/dbraw/zinc/05/07/06/353050706.db2.gz AXRBDUFBSOYYHD-JOYOIKCWSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@@H](Nc1cccc2ccncc21)[C@@H]1CC1(F)F ZINC000638883778 353050978 /nfs/dbraw/zinc/05/09/78/353050978.db2.gz AXRBDUFBSOYYHD-SKDRFNHKSA-N 1 0 248.276 3.690 20 0 BHADRO CC1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCC(F)(F)CC1 ZINC000639036447 353307915 /nfs/dbraw/zinc/30/79/15/353307915.db2.gz SIMMVEZNVFSYMM-ZSBIGDGJSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639046281 353336290 /nfs/dbraw/zinc/33/62/90/353336290.db2.gz BQBIKMKZGLJRAU-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639046283 353336254 /nfs/dbraw/zinc/33/62/54/353336254.db2.gz BQBIKMKZGLJRAU-WRWGMCAJSA-N 1 0 249.320 3.743 20 0 BHADRO CCC1(C[NH2+]CCC[C@H]2CCO2)CCCCC1 ZINC000639049169 353347654 /nfs/dbraw/zinc/34/76/54/353347654.db2.gz JLDAVUNJTSTBMI-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CCC1(C[NH2+]CCC[C@@H]2CCO2)CCCCC1 ZINC000639049170 353347564 /nfs/dbraw/zinc/34/75/64/353347564.db2.gz JLDAVUNJTSTBMI-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO c1cc(C[NH2+]CCC2=CCCCCC2)sn1 ZINC000639050238 353345475 /nfs/dbraw/zinc/34/54/75/353345475.db2.gz GFBPJHWVMLLALR-UHFFFAOYSA-N 1 0 236.384 3.513 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCCC1)[C@@H]1CC1(F)F ZINC000639050481 353345728 /nfs/dbraw/zinc/34/57/28/353345728.db2.gz JGVLNPWXWVLITB-AAEUAGOBSA-N 1 0 243.341 3.900 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCCC1)[C@H]1CC1(F)F ZINC000639050483 353345684 /nfs/dbraw/zinc/34/56/84/353345684.db2.gz JGVLNPWXWVLITB-DGCLKSJQSA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCCC1)[C@H]1CC1(F)F ZINC000639050484 353345581 /nfs/dbraw/zinc/34/55/81/353345581.db2.gz JGVLNPWXWVLITB-WCQYABFASA-N 1 0 243.341 3.900 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCCC1)[C@@H]1CC1(F)F ZINC000639050486 353345416 /nfs/dbraw/zinc/34/54/16/353345416.db2.gz JGVLNPWXWVLITB-YPMHNXCESA-N 1 0 243.341 3.900 20 0 BHADRO Cc1cnc(C[NH2+]CC(C)(C)C2=CCCCC2)o1 ZINC000639058430 353363478 /nfs/dbraw/zinc/36/34/78/353363478.db2.gz MQDLBIYGVHJJAX-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639085313 353425619 /nfs/dbraw/zinc/42/56/19/353425619.db2.gz FQHHQPWTNNBVRJ-MXWKQRLJSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639085314 353425439 /nfs/dbraw/zinc/42/54/39/353425439.db2.gz FQHHQPWTNNBVRJ-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639090340 353450586 /nfs/dbraw/zinc/45/05/86/353450586.db2.gz LNCMIIOEIJUQDG-GFCCVEGCSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639090341 353450301 /nfs/dbraw/zinc/45/03/01/353450301.db2.gz LNCMIIOEIJUQDG-LBPRGKRZSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CC1(F)F ZINC000639090850 353451763 /nfs/dbraw/zinc/45/17/63/353451763.db2.gz NXMVJJLUVPJKAL-NOOOWODRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CC1(F)F ZINC000639090864 353451556 /nfs/dbraw/zinc/45/15/56/353451556.db2.gz NXMVJJLUVPJKAL-RHYQMDGZSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CC1(F)F ZINC000639090865 353451749 /nfs/dbraw/zinc/45/17/49/353451749.db2.gz NXMVJJLUVPJKAL-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CC1(F)F ZINC000639090866 353451710 /nfs/dbraw/zinc/45/17/10/353451710.db2.gz NXMVJJLUVPJKAL-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1cnc(C[NH2+]CC[C@@H](C)CC(C)(C)C)o1 ZINC000639090960 353451487 /nfs/dbraw/zinc/45/14/87/353451487.db2.gz PLYVEUQUDNSHLH-LLVKDONJSA-N 1 0 238.375 3.535 20 0 BHADRO Cc1cnc(C[NH2+]CC[C@H](C)CC(C)(C)C)o1 ZINC000639090972 353451655 /nfs/dbraw/zinc/45/16/55/353451655.db2.gz PLYVEUQUDNSHLH-NSHDSACASA-N 1 0 238.375 3.535 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639091391 353453068 /nfs/dbraw/zinc/45/30/68/353453068.db2.gz SPZAYBTWPBAMPZ-AAEUAGOBSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639091393 353453155 /nfs/dbraw/zinc/45/31/55/353453155.db2.gz SPZAYBTWPBAMPZ-DGCLKSJQSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639091395 353453064 /nfs/dbraw/zinc/45/30/64/353453064.db2.gz SPZAYBTWPBAMPZ-WCQYABFASA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639091396 353452986 /nfs/dbraw/zinc/45/29/86/353452986.db2.gz SPZAYBTWPBAMPZ-YPMHNXCESA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639108845 353652356 /nfs/dbraw/zinc/65/23/56/353652356.db2.gz WWQTWAHGIIGUEK-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639108847 353652196 /nfs/dbraw/zinc/65/21/96/353652196.db2.gz WWQTWAHGIIGUEK-YFKTTZPYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000639110346 353680427 /nfs/dbraw/zinc/68/04/27/353680427.db2.gz KOURNKZYYBWSEP-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000639110347 353680404 /nfs/dbraw/zinc/68/04/04/353680404.db2.gz KOURNKZYYBWSEP-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000639113197 353710900 /nfs/dbraw/zinc/71/09/00/353710900.db2.gz KOURNKZYYBWSEP-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000639113198 353710610 /nfs/dbraw/zinc/71/06/10/353710610.db2.gz KOURNKZYYBWSEP-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C1(C[NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000639141386 353849525 /nfs/dbraw/zinc/84/95/25/353849525.db2.gz NSVGMSVQKRCOFE-UHFFFAOYSA-N 1 0 237.309 3.601 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000639141712 353849651 /nfs/dbraw/zinc/84/96/51/353849651.db2.gz QXXXRXXTEIWBTQ-MXWKQRLJSA-N 1 0 249.320 3.601 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639141713 353849533 /nfs/dbraw/zinc/84/95/33/353849533.db2.gz QXXXRXXTEIWBTQ-OUAUKWLOSA-N 1 0 249.320 3.601 20 0 BHADRO C[N@H+](Cc1ccns1)C(C)(C)c1ccccc1 ZINC000639145977 353851542 /nfs/dbraw/zinc/85/15/42/353851542.db2.gz AFCHVJWIPJTAQH-UHFFFAOYSA-N 1 0 246.379 3.510 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000639167488 354054025 /nfs/dbraw/zinc/05/40/25/354054025.db2.gz GIGGXRAHPRDFLE-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000639167489 354053959 /nfs/dbraw/zinc/05/39/59/354053959.db2.gz GIGGXRAHPRDFLE-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000639167542 354054866 /nfs/dbraw/zinc/05/48/66/354054866.db2.gz HSFOKFBDEVZTJG-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)C1(C[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000639167543 354054849 /nfs/dbraw/zinc/05/48/49/354054849.db2.gz HSFOKFBDEVZTJG-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CCCC[C@H]([NH2+]CCC[C@@H]1CCO1)C1CCC1 ZINC000639178385 354253714 /nfs/dbraw/zinc/25/37/14/354253714.db2.gz KZKHIAKNCFQISI-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]([NH2+]CCC[C@H]1CCO1)C1CCC1 ZINC000639178386 354253694 /nfs/dbraw/zinc/25/36/94/354253694.db2.gz KZKHIAKNCFQISI-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]CCC[C@@H]1CCO1)C1CCC1 ZINC000639178387 354253618 /nfs/dbraw/zinc/25/36/18/354253618.db2.gz KZKHIAKNCFQISI-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+]CCC[C@H]1CCO1)C1CCC1 ZINC000639178388 354253724 /nfs/dbraw/zinc/25/37/24/354253724.db2.gz KZKHIAKNCFQISI-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H](C)c1cccnc1 ZINC000639178746 354264385 /nfs/dbraw/zinc/26/43/85/354264385.db2.gz OFDJDXNWMHXGMD-LUYZLQTOSA-N 1 0 244.382 3.511 20 0 BHADRO CC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H](C)c1cccnc1 ZINC000639178747 354263868 /nfs/dbraw/zinc/26/38/68/354263868.db2.gz OFDJDXNWMHXGMD-UGQVUOCMSA-N 1 0 244.382 3.511 20 0 BHADRO CCC(CC)[N@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000639187021 354381156 /nfs/dbraw/zinc/38/11/56/354381156.db2.gz XEEPHUGTDFBCNV-GFCCVEGCSA-N 1 0 249.402 3.665 20 0 BHADRO CCC(CC)[N@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000639187022 354381342 /nfs/dbraw/zinc/38/13/42/354381342.db2.gz XEEPHUGTDFBCNV-LBPRGKRZSA-N 1 0 249.402 3.665 20 0 BHADRO CC[N@H+](CC(C)(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639195920 354597334 /nfs/dbraw/zinc/59/73/34/354597334.db2.gz HRHZYHNMAQWTKA-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CC[N@H+](CC(C)(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639195921 354597127 /nfs/dbraw/zinc/59/71/27/354597127.db2.gz HRHZYHNMAQWTKA-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@]1(C[NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000639196691 387013693 /nfs/dbraw/zinc/01/36/93/387013693.db2.gz PVMIWZONPKVNOJ-GJZGRUSLSA-N 1 0 235.346 3.520 20 0 BHADRO FCCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639197572 354598612 /nfs/dbraw/zinc/59/86/12/354598612.db2.gz WRUYRXUKLOHRMB-UHFFFAOYSA-N 1 0 225.351 3.749 20 0 BHADRO CCCC[C@H](C)[N@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639199356 354602843 /nfs/dbraw/zinc/60/28/43/354602843.db2.gz WOOOIADIOPPFPK-AAEUAGOBSA-N 1 0 249.402 3.665 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639199357 354602896 /nfs/dbraw/zinc/60/28/96/354602896.db2.gz WOOOIADIOPPFPK-DGCLKSJQSA-N 1 0 249.402 3.665 20 0 BHADRO CCCC[C@H](C)[N@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639199359 354602903 /nfs/dbraw/zinc/60/29/03/354602903.db2.gz WOOOIADIOPPFPK-WCQYABFASA-N 1 0 249.402 3.665 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639199361 354603020 /nfs/dbraw/zinc/60/30/20/354603020.db2.gz WOOOIADIOPPFPK-YPMHNXCESA-N 1 0 249.402 3.665 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CC1(F)F ZINC000639203345 354608159 /nfs/dbraw/zinc/60/81/59/354608159.db2.gz TWKDANRNHJEMSO-NXEZZACHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CC1(F)F ZINC000639203347 354608825 /nfs/dbraw/zinc/60/88/25/354608825.db2.gz TWKDANRNHJEMSO-UWVGGRQHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CC1(F)F ZINC000639203349 354609163 /nfs/dbraw/zinc/60/91/63/354609163.db2.gz TWKDANRNHJEMSO-VHSXEESVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CC1(F)F ZINC000639203353 354609134 /nfs/dbraw/zinc/60/91/34/354609134.db2.gz TWKDANRNHJEMSO-ZJUUUORDSA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000639203612 354628334 /nfs/dbraw/zinc/62/83/34/354628334.db2.gz DLIDJOFBEHCEFW-BJDJZHNGSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000639203613 354628294 /nfs/dbraw/zinc/62/82/94/354628294.db2.gz DLIDJOFBEHCEFW-DDHJBXDOSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000639203614 354628167 /nfs/dbraw/zinc/62/81/67/354628167.db2.gz DLIDJOFBEHCEFW-FIQHERPVSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000639203616 354628140 /nfs/dbraw/zinc/62/81/40/354628140.db2.gz DLIDJOFBEHCEFW-KKOKHZNYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639204176 354616871 /nfs/dbraw/zinc/61/68/71/354616871.db2.gz KMIVBJPIOODCLP-AULYBMBSSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C(C)(C)C(C)(C)C)c(C)n1 ZINC000639204453 354654711 /nfs/dbraw/zinc/65/47/11/354654711.db2.gz PXCHQTXDJPQQFG-LLVKDONJSA-N 1 0 249.402 3.569 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C(C)(C)C(C)(C)C)c(C)n1 ZINC000639204454 354655479 /nfs/dbraw/zinc/65/54/79/354655479.db2.gz PXCHQTXDJPQQFG-NSHDSACASA-N 1 0 249.402 3.569 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]CC1CCSCC1 ZINC000639204856 354654880 /nfs/dbraw/zinc/65/48/80/354654880.db2.gz UFTRVLLALKYBPB-UHFFFAOYSA-N 1 0 229.433 3.544 20 0 BHADRO C(C1CCSCC1)[NH+](C1CCC1)C1CCC1 ZINC000639205261 354667559 /nfs/dbraw/zinc/66/75/59/354667559.db2.gz XXBTXJGGJVEJIW-UHFFFAOYSA-N 1 0 239.428 3.537 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1nc2ccccc2o1 ZINC000639205525 354657133 /nfs/dbraw/zinc/65/71/33/354657133.db2.gz XEMTYNXCAYKGRU-UHFFFAOYSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](F)CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639209729 354740967 /nfs/dbraw/zinc/74/09/67/354740967.db2.gz CZXNAGCHSRZKFW-LLVKDONJSA-N 1 0 225.351 3.747 20 0 BHADRO C[C@H](F)CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639209730 354740886 /nfs/dbraw/zinc/74/08/86/354740886.db2.gz CZXNAGCHSRZKFW-NSHDSACASA-N 1 0 225.351 3.747 20 0 BHADRO C[C@@H](F)CC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639209764 354730204 /nfs/dbraw/zinc/73/02/04/354730204.db2.gz DIGRUCQZAROEBO-BPLDGKMQSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H](F)CC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639209765 354730383 /nfs/dbraw/zinc/73/03/83/354730383.db2.gz DIGRUCQZAROEBO-NWANDNLSSA-N 1 0 235.346 3.518 20 0 BHADRO Cc1ccc(CC[NH2+]CCCC(C)(F)F)cc1 ZINC000639215691 354809905 /nfs/dbraw/zinc/80/99/05/354809905.db2.gz FJNIZUVHBOIURS-UHFFFAOYSA-N 1 0 241.325 3.563 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000639224432 354963001 /nfs/dbraw/zinc/96/30/01/354963001.db2.gz JXQBLBYWSSNLOT-GFCCVEGCSA-N 1 0 248.370 3.777 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000639224433 354962940 /nfs/dbraw/zinc/96/29/40/354962940.db2.gz JXQBLBYWSSNLOT-LBPRGKRZSA-N 1 0 248.370 3.777 20 0 BHADRO CCOC1CC(C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000639224736 354982174 /nfs/dbraw/zinc/98/21/74/354982174.db2.gz PCFQNMFFOZVGHE-NFOMZHRRSA-N 1 0 239.403 3.526 20 0 BHADRO CCOC1CC(C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000639224737 354982387 /nfs/dbraw/zinc/98/23/87/354982387.db2.gz PCFQNMFFOZVGHE-WLYUNCDWSA-N 1 0 239.403 3.526 20 0 BHADRO Cc1nocc1C[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639228169 355099983 /nfs/dbraw/zinc/09/99/83/355099983.db2.gz QULJIKPANFEQBA-GXTWGEPZSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639228170 355101118 /nfs/dbraw/zinc/10/11/18/355101118.db2.gz QULJIKPANFEQBA-JSGCOSHPSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1nocc1C[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639228171 355100845 /nfs/dbraw/zinc/10/08/45/355100845.db2.gz QULJIKPANFEQBA-OCCSQVGLSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639228172 355101017 /nfs/dbraw/zinc/10/10/17/355101017.db2.gz QULJIKPANFEQBA-TZMCWYRMSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1nocc1C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000639228340 355097312 /nfs/dbraw/zinc/09/73/12/355097312.db2.gz RYSPOMLVCABKOR-NEPJUHHUSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1nocc1C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000639228341 355097413 /nfs/dbraw/zinc/09/74/13/355097413.db2.gz RYSPOMLVCABKOR-NWDGAFQWSA-N 1 0 238.375 3.533 20 0 BHADRO Cc1nocc1C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000639228342 355097347 /nfs/dbraw/zinc/09/73/47/355097347.db2.gz RYSPOMLVCABKOR-RYUDHWBXSA-N 1 0 238.375 3.533 20 0 BHADRO c1c(C[NH2+]CC2CCCCCC2)onc1C1CC1 ZINC000639229489 355119383 /nfs/dbraw/zinc/11/93/83/355119383.db2.gz XDNFNZFUXJATGZ-UHFFFAOYSA-N 1 0 248.370 3.612 20 0 BHADRO CCC1([NH2+]Cc2cc(C3CC3)no2)CCCCC1 ZINC000639235272 355218021 /nfs/dbraw/zinc/21/80/21/355218021.db2.gz INAVBKIHVDIJKR-UHFFFAOYSA-N 1 0 248.370 3.755 20 0 BHADRO CCOC1CC(C[NH2+]C2(CC)CCCCC2)C1 ZINC000639235278 355217992 /nfs/dbraw/zinc/21/79/92/355217992.db2.gz ISNHHPDULZZJJR-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C2CC2)no1)C1CCCC1 ZINC000639236130 355220864 /nfs/dbraw/zinc/22/08/64/355220864.db2.gz PINAJNZCZCBXBQ-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)C1CCCC1 ZINC000639236131 355220794 /nfs/dbraw/zinc/22/07/94/355220794.db2.gz PINAJNZCZCBXBQ-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO CC(C)[N@H+](Cc1ccns1)C1CC(C)(C)C1 ZINC000639243066 355229866 /nfs/dbraw/zinc/22/98/66/355229866.db2.gz UDGVQNKJHYIBHI-UHFFFAOYSA-N 1 0 238.400 3.542 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)[C@H]1CC1(F)F ZINC000639244954 355235508 /nfs/dbraw/zinc/23/55/08/355235508.db2.gz RJODLCHBBMKADJ-CMPLNLGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CC1(C2CCC2)CCC1)[C@@H]1CC1(F)F ZINC000639244955 355235796 /nfs/dbraw/zinc/23/57/96/355235796.db2.gz RJODLCHBBMKADJ-JQWIXIFHSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)[C@@H]1CC1(F)F ZINC000639244957 355235585 /nfs/dbraw/zinc/23/55/85/355235585.db2.gz RJODLCHBBMKADJ-PWSUYJOCSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)[C@H]1CC1(F)F ZINC000639244958 355235645 /nfs/dbraw/zinc/23/56/45/355235645.db2.gz RJODLCHBBMKADJ-ZYHUDNBSSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CC1(F)F ZINC000639245444 355269544 /nfs/dbraw/zinc/26/95/44/355269544.db2.gz XYAQNIKKJSNYSQ-CMPLNLGQSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CC1(F)F ZINC000639245446 355269270 /nfs/dbraw/zinc/26/92/70/355269270.db2.gz XYAQNIKKJSNYSQ-JQWIXIFHSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CC1(F)F ZINC000639245448 355269325 /nfs/dbraw/zinc/26/93/25/355269325.db2.gz XYAQNIKKJSNYSQ-PWSUYJOCSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CC1(F)F ZINC000639245450 355270437 /nfs/dbraw/zinc/27/04/37/355270437.db2.gz XYAQNIKKJSNYSQ-ZYHUDNBSSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1nc2ccccc2o1 ZINC000639246416 355274665 /nfs/dbraw/zinc/27/46/65/355274665.db2.gz HPNRCCLERVJMJB-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1nc2ccccc2o1 ZINC000639246417 355274711 /nfs/dbraw/zinc/27/47/11/355274711.db2.gz HPNRCCLERVJMJB-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](Nc1ccc2c[nH+]ccc2c1)[C@H]1CC1(F)F ZINC000639247003 355275996 /nfs/dbraw/zinc/27/59/96/355275996.db2.gz NXTQVGZPWFWQIL-NOZJJQNGSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@@H](Nc1ccc2c[nH+]ccc2c1)[C@@H]1CC1(F)F ZINC000639247004 355275722 /nfs/dbraw/zinc/27/57/22/355275722.db2.gz NXTQVGZPWFWQIL-RNCFNFMXSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@H](Nc1ccc2c[nH+]ccc2c1)[C@H]1CC1(F)F ZINC000639247005 355275712 /nfs/dbraw/zinc/27/57/12/355275712.db2.gz NXTQVGZPWFWQIL-TVQRCGJNSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@H](Nc1ccc2c[nH+]ccc2c1)[C@@H]1CC1(F)F ZINC000639247006 355275621 /nfs/dbraw/zinc/27/56/21/355275621.db2.gz NXTQVGZPWFWQIL-ZANVPECISA-N 1 0 248.276 3.690 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)o1 ZINC000639257385 355302347 /nfs/dbraw/zinc/30/23/47/355302347.db2.gz NDEUBWZNSHLHHI-GXTWGEPZSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)o1 ZINC000639257386 355302885 /nfs/dbraw/zinc/30/28/85/355302885.db2.gz NDEUBWZNSHLHHI-JSGCOSHPSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)o1 ZINC000639257390 355302727 /nfs/dbraw/zinc/30/27/27/355302727.db2.gz NDEUBWZNSHLHHI-OCCSQVGLSA-N 1 0 248.370 3.598 20 0 BHADRO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)o1 ZINC000639257391 355302824 /nfs/dbraw/zinc/30/28/24/355302824.db2.gz NDEUBWZNSHLHHI-TZMCWYRMSA-N 1 0 248.370 3.598 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@@H]1CCO1)C1CCCC1 ZINC000639259140 355308594 /nfs/dbraw/zinc/30/85/94/355308594.db2.gz RXMHFZOVTRNBDI-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H]([NH2+]CCC[C@H]1CCO1)C1CCCC1 ZINC000639259141 355308681 /nfs/dbraw/zinc/30/86/81/355308681.db2.gz RXMHFZOVTRNBDI-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@@H]1CCO1)C1CCCC1 ZINC000639259142 355308611 /nfs/dbraw/zinc/30/86/11/355308611.db2.gz RXMHFZOVTRNBDI-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H]([NH2+]CCC[C@H]1CCO1)C1CCCC1 ZINC000639259143 355308678 /nfs/dbraw/zinc/30/86/78/355308678.db2.gz RXMHFZOVTRNBDI-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000639262427 355319671 /nfs/dbraw/zinc/31/96/71/355319671.db2.gz UBVMDDUKYYATDJ-CYZMBNFOSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000639262428 355319881 /nfs/dbraw/zinc/31/98/81/355319881.db2.gz UBVMDDUKYYATDJ-DRZSPHRISA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000639262429 355319654 /nfs/dbraw/zinc/31/96/54/355319654.db2.gz UBVMDDUKYYATDJ-KGYLQXTDSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000639262430 355319588 /nfs/dbraw/zinc/31/95/88/355319588.db2.gz UBVMDDUKYYATDJ-RAIGVLPGSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000639262431 355319751 /nfs/dbraw/zinc/31/97/51/355319751.db2.gz UBVMDDUKYYATDJ-RTXFEEFZSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000639262432 355319637 /nfs/dbraw/zinc/31/96/37/355319637.db2.gz UBVMDDUKYYATDJ-UHTWSYAYSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000639262433 355319675 /nfs/dbraw/zinc/31/96/75/355319675.db2.gz UBVMDDUKYYATDJ-WCFLWFBJSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000639262434 355319938 /nfs/dbraw/zinc/31/99/38/355319938.db2.gz UBVMDDUKYYATDJ-WXHSDQCUSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CC(F)(F)F ZINC000639266056 355324733 /nfs/dbraw/zinc/32/47/33/355324733.db2.gz WDWPULNCDXRISL-WISYIIOYSA-N 1 0 249.320 3.601 20 0 BHADRO CC[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CC(F)(F)F ZINC000639266060 355324622 /nfs/dbraw/zinc/32/46/22/355324622.db2.gz WDWPULNCDXRISL-YFKTTZPYSA-N 1 0 249.320 3.601 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639266377 355325267 /nfs/dbraw/zinc/32/52/67/355325267.db2.gz PZHCJCBHFGFKKS-FIQHERPVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639266395 355325292 /nfs/dbraw/zinc/32/52/92/355325292.db2.gz PZHCJCBHFGFKKS-IRCOFANPSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639266397 355325255 /nfs/dbraw/zinc/32/52/55/355325255.db2.gz PZHCJCBHFGFKKS-NNYUYHANSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639266399 355325360 /nfs/dbraw/zinc/32/53/60/355325360.db2.gz PZHCJCBHFGFKKS-WHOHXGKFSA-N 1 0 245.357 3.835 20 0 BHADRO C1CC12C[C@@H]2[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639276724 355350987 /nfs/dbraw/zinc/35/09/87/355350987.db2.gz DRIVZYZJVGYPRZ-AWEZNQCLSA-N 1 0 217.356 3.552 20 0 BHADRO C1CC12C[C@H]2[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639276733 355350741 /nfs/dbraw/zinc/35/07/41/355350741.db2.gz DRIVZYZJVGYPRZ-CQSZACIVSA-N 1 0 217.356 3.552 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CC1(F)F ZINC000639280605 355370208 /nfs/dbraw/zinc/37/02/08/355370208.db2.gz OLJMQIZTWIQHLT-FTYKPCCVSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CC1(F)F ZINC000639280606 355370534 /nfs/dbraw/zinc/37/05/34/355370534.db2.gz OLJMQIZTWIQHLT-GWNIPJSYSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC1(F)F ZINC000639280607 355370336 /nfs/dbraw/zinc/37/03/36/355370336.db2.gz OLJMQIZTWIQHLT-MGAJPHDKSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC1(F)F ZINC000639280608 355370543 /nfs/dbraw/zinc/37/05/43/355370543.db2.gz OLJMQIZTWIQHLT-SYEHKZFSSA-N 1 0 243.341 3.589 20 0 BHADRO Cc1ncc([C@@H](C)[N@H+](C)CCC(C)(C)C)c(C)n1 ZINC000639282918 386843607 /nfs/dbraw/zinc/84/36/07/386843607.db2.gz HBHINAGYBYSSCU-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ncc([C@H](C)[N@H+](C)CCC(C)(C)C)c(C)n1 ZINC000639282919 386843536 /nfs/dbraw/zinc/84/35/36/386843536.db2.gz HBHINAGYBYSSCU-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[N@H+](Cc1ccc(C(F)F)nc1)C(C)C ZINC000639308169 355664055 /nfs/dbraw/zinc/66/40/55/355664055.db2.gz CWMUYEUVGXKQCV-UHFFFAOYSA-N 1 0 242.313 3.640 20 0 BHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000639325130 355726427 /nfs/dbraw/zinc/72/64/27/355726427.db2.gz NOBUATOHIXMFIE-CZVOBTNASA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000639325131 355726479 /nfs/dbraw/zinc/72/64/79/355726479.db2.gz NOBUATOHIXMFIE-LLDYLOADSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000639325132 355726722 /nfs/dbraw/zinc/72/67/22/355726722.db2.gz NOBUATOHIXMFIE-MNMQIZOCSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000639325133 355726749 /nfs/dbraw/zinc/72/67/49/355726749.db2.gz NOBUATOHIXMFIE-MXYATOMLSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1cccs1 ZINC000639325810 355724972 /nfs/dbraw/zinc/72/49/72/355724972.db2.gz UITOATUINIKPCS-CDWXYHGHSA-N 1 0 247.407 3.628 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1cccs1 ZINC000639325811 355725209 /nfs/dbraw/zinc/72/52/09/355725209.db2.gz UITOATUINIKPCS-FEPPMDFBSA-N 1 0 247.407 3.628 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1cccs1 ZINC000639325812 355725143 /nfs/dbraw/zinc/72/51/43/355725143.db2.gz UITOATUINIKPCS-GGZSWOCBSA-N 1 0 247.407 3.628 20 0 BHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1cccs1 ZINC000639325813 355725280 /nfs/dbraw/zinc/72/52/80/355725280.db2.gz UITOATUINIKPCS-IBHARUPASA-N 1 0 247.407 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1CC1(F)F ZINC000639329138 355745254 /nfs/dbraw/zinc/74/52/54/355745254.db2.gz GUYWAKDNILKYNN-GSKRZPMYSA-N 1 0 249.320 3.537 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@@H]1CC1(F)F ZINC000639329139 355745580 /nfs/dbraw/zinc/74/55/80/355745580.db2.gz GUYWAKDNILKYNN-GSRULGPHSA-N 1 0 249.320 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@@H]1CC1(F)F ZINC000639329140 355745584 /nfs/dbraw/zinc/74/55/84/355745584.db2.gz GUYWAKDNILKYNN-HLHREWCQSA-N 1 0 249.320 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1CC1(F)F ZINC000639329141 355745360 /nfs/dbraw/zinc/74/53/60/355745360.db2.gz GUYWAKDNILKYNN-KCULMAPZSA-N 1 0 249.320 3.537 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CC(F)(F)F ZINC000639341575 355783738 /nfs/dbraw/zinc/78/37/38/355783738.db2.gz XULACUGKCYVFLY-JGPRNRPPSA-N 1 0 249.320 3.601 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639350959 355798952 /nfs/dbraw/zinc/79/89/52/355798952.db2.gz VHMCRGXFHFNTIU-ZSBIGDGJSA-N 1 0 245.357 3.694 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000639383037 355934752 /nfs/dbraw/zinc/93/47/52/355934752.db2.gz OZFJUZHCSGFVBI-CMPLNLGQSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000639383038 355935028 /nfs/dbraw/zinc/93/50/28/355935028.db2.gz OZFJUZHCSGFVBI-JQWIXIFHSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)s1 ZINC000639383039 355934656 /nfs/dbraw/zinc/93/46/56/355934656.db2.gz OZFJUZHCSGFVBI-PWSUYJOCSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)s1 ZINC000639383040 355934875 /nfs/dbraw/zinc/93/48/75/355934875.db2.gz OZFJUZHCSGFVBI-ZYHUDNBSSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639389639 356020068 /nfs/dbraw/zinc/02/00/68/356020068.db2.gz ODHBWSOBJVWTDN-MDZLAQPJSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639389641 356019657 /nfs/dbraw/zinc/01/96/57/356019657.db2.gz ODHBWSOBJVWTDN-NQBHXWOUSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639389643 356020073 /nfs/dbraw/zinc/02/00/73/356020073.db2.gz ODHBWSOBJVWTDN-NTZNESFSSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639389644 356019639 /nfs/dbraw/zinc/01/96/39/356019639.db2.gz ODHBWSOBJVWTDN-WZRBSPASSA-N 1 0 239.309 3.689 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000639390175 356020953 /nfs/dbraw/zinc/02/09/53/356020953.db2.gz VHXJCBGUXRZDMA-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000639390176 356020464 /nfs/dbraw/zinc/02/04/64/356020464.db2.gz VHXJCBGUXRZDMA-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)C1CC(F)(F)C1 ZINC000639390177 356020576 /nfs/dbraw/zinc/02/05/76/356020576.db2.gz VHXJCBGUXRZDMA-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000639390178 356022221 /nfs/dbraw/zinc/02/22/21/356022221.db2.gz VHXJCBGUXRZDMA-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000639390899 356035151 /nfs/dbraw/zinc/03/51/51/356035151.db2.gz PQKDAVDQKIDNDG-GHMZBOCLSA-N 1 0 247.304 3.640 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@]12C[C@H]1CCCC2 ZINC000639393716 356071556 /nfs/dbraw/zinc/07/15/56/356071556.db2.gz AJIROUOAZFYJDH-MRVWCRGKSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000639393718 356072996 /nfs/dbraw/zinc/07/29/96/356072996.db2.gz AJIROUOAZFYJDH-XBFCOCLRSA-N 1 0 235.396 3.601 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639695775 356603146 /nfs/dbraw/zinc/60/31/46/356603146.db2.gz YFTWPJWGFVCEHH-INIZCTEOSA-N 1 0 244.382 3.617 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639695776 356604031 /nfs/dbraw/zinc/60/40/31/356604031.db2.gz YFTWPJWGFVCEHH-MRXNPFEDSA-N 1 0 244.382 3.617 20 0 BHADRO CC1=Nc2ccccc2C12CC[NH+](C(C)C)CC2 ZINC000639716150 356617632 /nfs/dbraw/zinc/61/76/32/356617632.db2.gz XXDADIZOPKTIEL-UHFFFAOYSA-N 1 0 242.366 3.535 20 0 BHADRO CCC[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000639716167 356618064 /nfs/dbraw/zinc/61/80/64/356618064.db2.gz YZHHHCMGXGKHOJ-UHFFFAOYSA-N 1 0 242.366 3.536 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC23CCCC3)c(C)n1 ZINC000639719860 356617882 /nfs/dbraw/zinc/61/78/82/356617882.db2.gz QOMOAGUCVIEGMH-UHFFFAOYSA-N 1 0 244.382 3.525 20 0 BHADRO CCC(F)(F)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000639861324 356869423 /nfs/dbraw/zinc/86/94/23/356869423.db2.gz AUACHORXCSZGKO-KPPDAEKUSA-N 1 0 237.309 3.538 20 0 BHADRO CCC(F)(F)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000639861334 356869762 /nfs/dbraw/zinc/86/97/62/356869762.db2.gz AUACHORXCSZGKO-WHXUTIOJSA-N 1 0 237.309 3.538 20 0 BHADRO C1CCC([NH+]2CCC3(CCSCC3)CC2)C1 ZINC000639983458 358026361 /nfs/dbraw/zinc/02/63/61/358026361.db2.gz TVOFHCKWLBZCEF-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CC1(F)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000640071452 358161953 /nfs/dbraw/zinc/16/19/53/358161953.db2.gz NQPVSIJTISXCQZ-UHFFFAOYSA-N 1 0 241.272 3.543 20 0 BHADRO CC1(F)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000640071880 358164052 /nfs/dbraw/zinc/16/40/52/358164052.db2.gz TXUBPJXSFZFDSB-UHFFFAOYSA-N 1 0 249.320 3.636 20 0 BHADRO FC[C@H](NCC1=CCCC1)c1ccc(F)cc1 ZINC000640154263 358438280 /nfs/dbraw/zinc/43/82/80/358438280.db2.gz FCVVJVKGSKVDRR-AWEZNQCLSA-N 1 0 237.293 3.536 20 0 BHADRO FC[C@@H](NCC1=CCCC1)c1ccc(F)cc1 ZINC000640154277 358438092 /nfs/dbraw/zinc/43/80/92/358438092.db2.gz FCVVJVKGSKVDRR-CQSZACIVSA-N 1 0 237.293 3.536 20 0 BHADRO FC[C@H](N[C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000640154395 358437942 /nfs/dbraw/zinc/43/79/42/358437942.db2.gz ZWYOKYFMIYDYLQ-KBPBESRZSA-N 1 0 237.293 3.535 20 0 BHADRO FC[C@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000640154396 358438552 /nfs/dbraw/zinc/43/85/52/358438552.db2.gz ZWYOKYFMIYDYLQ-KGLIPLIRSA-N 1 0 237.293 3.535 20 0 BHADRO FC[C@@H](N[C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000640154397 358438503 /nfs/dbraw/zinc/43/85/03/358438503.db2.gz ZWYOKYFMIYDYLQ-UONOGXRCSA-N 1 0 237.293 3.535 20 0 BHADRO FC[C@@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000640154398 358437991 /nfs/dbraw/zinc/43/79/91/358437991.db2.gz ZWYOKYFMIYDYLQ-ZIAGYGMSSA-N 1 0 237.293 3.535 20 0 BHADRO FCCCCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640155518 358439096 /nfs/dbraw/zinc/43/90/96/358439096.db2.gz WLINQYLEWOQBSB-CYBMUJFWSA-N 1 0 245.288 3.566 20 0 BHADRO FCCCCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640155519 358439157 /nfs/dbraw/zinc/43/91/57/358439157.db2.gz WLINQYLEWOQBSB-ZDUSSCGKSA-N 1 0 245.288 3.566 20 0 BHADRO Cc1nc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)co1 ZINC000640217860 358875274 /nfs/dbraw/zinc/87/52/74/358875274.db2.gz BMUWUPIPLHTKRH-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)co1 ZINC000640217861 358875054 /nfs/dbraw/zinc/87/50/54/358875054.db2.gz BMUWUPIPLHTKRH-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)o1 ZINC000640219545 358887959 /nfs/dbraw/zinc/88/79/59/358887959.db2.gz MAQLOYHTYKRBOX-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)o1 ZINC000640219546 358888235 /nfs/dbraw/zinc/88/82/35/358888235.db2.gz MAQLOYHTYKRBOX-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)on1 ZINC000640220187 358892861 /nfs/dbraw/zinc/89/28/61/358892861.db2.gz QZEHSNMWJZICAD-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)on1 ZINC000640220188 358893166 /nfs/dbraw/zinc/89/31/66/358893166.db2.gz QZEHSNMWJZICAD-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)no1 ZINC000640220496 358895214 /nfs/dbraw/zinc/89/52/14/358895214.db2.gz UMWFEXRHJXGUHJ-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)no1 ZINC000640220497 358894424 /nfs/dbraw/zinc/89/44/24/358894424.db2.gz UMWFEXRHJXGUHJ-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C)o1 ZINC000640350362 361075670 /nfs/dbraw/zinc/07/56/70/361075670.db2.gz OYRFISKLMZUOCI-CMPLNLGQSA-N 1 0 238.375 3.658 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C)o1 ZINC000640350363 361075578 /nfs/dbraw/zinc/07/55/78/361075578.db2.gz OYRFISKLMZUOCI-JQWIXIFHSA-N 1 0 238.375 3.658 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C)o1 ZINC000640350364 361075101 /nfs/dbraw/zinc/07/51/01/361075101.db2.gz OYRFISKLMZUOCI-PWSUYJOCSA-N 1 0 238.375 3.658 20 0 BHADRO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C)o1 ZINC000640350438 361075397 /nfs/dbraw/zinc/07/53/97/361075397.db2.gz OYRFISKLMZUOCI-ZYHUDNBSSA-N 1 0 238.375 3.658 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000641700594 362611573 /nfs/dbraw/zinc/61/15/73/362611573.db2.gz GEFZHUVRDPYSNA-LLVKDONJSA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000641700596 362611151 /nfs/dbraw/zinc/61/11/51/362611151.db2.gz GEFZHUVRDPYSNA-NSHDSACASA-N 1 0 247.363 3.852 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccccc2C)o1 ZINC000641703296 362612998 /nfs/dbraw/zinc/61/29/98/362612998.db2.gz MFTHQZHWAUCYCM-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO CSc1ccc(C[NH2+]Cc2ccc(C)cc2)o1 ZINC000641703357 362612496 /nfs/dbraw/zinc/61/24/96/362612496.db2.gz PPNGBZHCNNLWTK-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO CSc1ccc(C[NH2+]Cc2cccc(C)c2)o1 ZINC000641705527 362617739 /nfs/dbraw/zinc/61/77/39/362617739.db2.gz RNMMITBYFHJKTB-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C(C)C)o1 ZINC000641720774 362638230 /nfs/dbraw/zinc/63/82/30/362638230.db2.gz RQOBSHJMDDOVEQ-UHFFFAOYSA-N 1 0 227.373 3.526 20 0 BHADRO CSc1ccc(CNc2cc(C)cc(C)[nH+]2)o1 ZINC000641740547 362665306 /nfs/dbraw/zinc/66/53/06/362665306.db2.gz AJMZBJYFVAXUQH-UHFFFAOYSA-N 1 0 248.351 3.625 20 0 BHADRO CSc1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000641741796 362668390 /nfs/dbraw/zinc/66/83/90/362668390.db2.gz IMWIDABSHAVFHE-UHFFFAOYSA-N 1 0 237.368 3.592 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000641751639 362680121 /nfs/dbraw/zinc/68/01/21/362680121.db2.gz YXTFBYMDQAMREL-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000641751644 362679944 /nfs/dbraw/zinc/67/99/44/362679944.db2.gz YXTFBYMDQAMREL-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000641751648 362680024 /nfs/dbraw/zinc/68/00/24/362680024.db2.gz YXTFBYMDQAMREL-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000641751649 362679576 /nfs/dbraw/zinc/67/95/76/362679576.db2.gz YXTFBYMDQAMREL-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CSc1ccc(C[NH2+]CCCC(C)(F)F)o1 ZINC000641757294 362687050 /nfs/dbraw/zinc/68/70/50/362687050.db2.gz UYSSHNITXXJCQS-UHFFFAOYSA-N 1 0 249.326 3.527 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)C2CCC2)o1 ZINC000641758275 362688831 /nfs/dbraw/zinc/68/88/31/362688831.db2.gz LXXPTQPPSSKZRC-UHFFFAOYSA-N 1 0 239.384 3.670 20 0 BHADRO CSc1ccc(C[NH2+][C@]2(C)CC=CCC2)o1 ZINC000641759712 362691428 /nfs/dbraw/zinc/69/14/28/362691428.db2.gz GMLRZVJZLBBOCU-CYBMUJFWSA-N 1 0 237.368 3.590 20 0 BHADRO CSc1ccc(C[NH2+][C@@]2(C)CC=CCC2)o1 ZINC000641759715 362691149 /nfs/dbraw/zinc/69/11/49/362691149.db2.gz GMLRZVJZLBBOCU-ZDUSSCGKSA-N 1 0 237.368 3.590 20 0 BHADRO CSc1ccc(CNc2cc(C)cnc2C)o1 ZINC000641768734 362707094 /nfs/dbraw/zinc/70/70/94/362707094.db2.gz GUJRXBDCWLKCOS-UHFFFAOYSA-N 1 0 248.351 3.625 20 0 BHADRO CCc1ccncc1NCc1ccc(SC)o1 ZINC000641769445 362704076 /nfs/dbraw/zinc/70/40/76/362704076.db2.gz HBMVPPBOHFWZCL-UHFFFAOYSA-N 1 0 248.351 3.571 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C)C(C)(C)C)o1 ZINC000641770110 362706053 /nfs/dbraw/zinc/70/60/53/362706053.db2.gz TUAFUKRBWQZEKE-SECBINFHSA-N 1 0 227.373 3.526 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641771205 362709879 /nfs/dbraw/zinc/70/98/79/362709879.db2.gz DYJJFTGKTSZDAO-ILXRZTDVSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641771206 362710264 /nfs/dbraw/zinc/71/02/64/362710264.db2.gz DYJJFTGKTSZDAO-KFWWJZLASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641771207 362710558 /nfs/dbraw/zinc/71/05/58/362710558.db2.gz DYJJFTGKTSZDAO-QLFBSQMISA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641771209 362710599 /nfs/dbraw/zinc/71/05/99/362710599.db2.gz DYJJFTGKTSZDAO-RBSFLKMASA-N 1 0 246.398 3.571 20 0 BHADRO CSc1ccc(C[NH2+][C@H](C(C)C)C2CC2)o1 ZINC000641771680 362710653 /nfs/dbraw/zinc/71/06/53/362710653.db2.gz AWODZSLOYYUCRE-CYBMUJFWSA-N 1 0 239.384 3.526 20 0 BHADRO CSc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)o1 ZINC000641771681 362710228 /nfs/dbraw/zinc/71/02/28/362710228.db2.gz AWODZSLOYYUCRE-ZDUSSCGKSA-N 1 0 239.384 3.526 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000641774154 362718777 /nfs/dbraw/zinc/71/87/77/362718777.db2.gz CDJSYPCXLVMSAQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000641774155 362718932 /nfs/dbraw/zinc/71/89/32/362718932.db2.gz CDJSYPCXLVMSAQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000641774157 362718951 /nfs/dbraw/zinc/71/89/51/362718951.db2.gz CDJSYPCXLVMSAQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000641774159 362719018 /nfs/dbraw/zinc/71/90/18/362719018.db2.gz CDJSYPCXLVMSAQ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CC23CC3)C2CCC2)cc1 ZINC000641780216 362720221 /nfs/dbraw/zinc/72/02/21/362720221.db2.gz DHBRSLVQTXOJEM-CABCVRRESA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CC23CC3)C2CCC2)cc1 ZINC000641780217 362719631 /nfs/dbraw/zinc/71/96/31/362719631.db2.gz DHBRSLVQTXOJEM-GJZGRUSLSA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CC23CC3)C2CCC2)cc1 ZINC000641780218 362720404 /nfs/dbraw/zinc/72/04/04/362720404.db2.gz DHBRSLVQTXOJEM-HUUCEWRRSA-N 1 0 227.351 3.670 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CC23CC3)C2CCC2)cc1 ZINC000641780219 362719778 /nfs/dbraw/zinc/71/97/78/362719778.db2.gz DHBRSLVQTXOJEM-LSDHHAIUSA-N 1 0 227.351 3.670 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc(SC)o1)C1CC1 ZINC000641790158 362724391 /nfs/dbraw/zinc/72/43/91/362724391.db2.gz URTBHGZWFSYYKR-CYBMUJFWSA-N 1 0 239.384 3.670 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc(SC)o1)C1CC1 ZINC000641790159 362724785 /nfs/dbraw/zinc/72/47/85/362724785.db2.gz URTBHGZWFSYYKR-ZDUSSCGKSA-N 1 0 239.384 3.670 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000641790876 362724603 /nfs/dbraw/zinc/72/46/03/362724603.db2.gz WGWWFLZPXASKDR-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000641790877 362724953 /nfs/dbraw/zinc/72/49/53/362724953.db2.gz WGWWFLZPXASKDR-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000641790878 362724490 /nfs/dbraw/zinc/72/44/90/362724490.db2.gz WGWWFLZPXASKDR-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000641790879 362725076 /nfs/dbraw/zinc/72/50/76/362725076.db2.gz WGWWFLZPXASKDR-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1nsc2ccccc21 ZINC000641793080 362728689 /nfs/dbraw/zinc/72/86/89/362728689.db2.gz ZNGAAJYPUCPEAV-JTQLQIEISA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1nsc2ccccc21 ZINC000641793081 362729365 /nfs/dbraw/zinc/72/93/65/362729365.db2.gz ZNGAAJYPUCPEAV-SNVBAGLBSA-N 1 0 246.379 3.575 20 0 BHADRO CC(C)CC[N@H+](Cc1ccccc1)C1CC1 ZINC000641864620 362791686 /nfs/dbraw/zinc/79/16/86/362791686.db2.gz COFCONDMDGTUGF-UHFFFAOYSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000641864832 362791873 /nfs/dbraw/zinc/79/18/73/362791873.db2.gz KQEHZHARSNCTJT-UHFFFAOYSA-N 1 0 245.288 3.793 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1F ZINC000641976651 362815830 /nfs/dbraw/zinc/81/58/30/362815830.db2.gz SWYKBTOCRNONHA-DOMZBBRYSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1F ZINC000641976652 362815404 /nfs/dbraw/zinc/81/54/04/362815404.db2.gz SWYKBTOCRNONHA-IUODEOHRSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1F ZINC000641976653 362815631 /nfs/dbraw/zinc/81/56/31/362815631.db2.gz SWYKBTOCRNONHA-SWLSCSKDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1F ZINC000641976654 362815925 /nfs/dbraw/zinc/81/59/25/362815925.db2.gz SWYKBTOCRNONHA-WFASDCNBSA-N 1 0 235.346 3.836 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000641976818 362817157 /nfs/dbraw/zinc/81/71/57/362817157.db2.gz CWZPNJJNNCXJJC-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO Cc1cc(C)cc(OCC[N@@H+](C(C)C)C2CC2)c1 ZINC000641976878 362817131 /nfs/dbraw/zinc/81/71/31/362817131.db2.gz RZLWKGGNSCUHAN-UHFFFAOYSA-N 1 0 247.382 3.555 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1Cl)C1CC1 ZINC000641976893 362817430 /nfs/dbraw/zinc/81/74/30/362817430.db2.gz VVWLWHONIWUARO-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO Cc1ccccc1C[N@@H+](CC(C)C)C1CC1 ZINC000641977013 362817398 /nfs/dbraw/zinc/81/73/98/362817398.db2.gz PXASZWRQGZGDOL-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CCC[N@@H+](Cc1ccc(C)cc1)CC(C)C ZINC000641979651 362817265 /nfs/dbraw/zinc/81/72/65/362817265.db2.gz XHKFVSLMYIKOCS-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000641979860 362816953 /nfs/dbraw/zinc/81/69/53/362816953.db2.gz PZDJCIXUBFWDMG-HNNXBMFYSA-N 1 0 217.356 3.788 20 0 BHADRO Cc1ccc([C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000641979864 362817447 /nfs/dbraw/zinc/81/74/47/362817447.db2.gz PZDJCIXUBFWDMG-OAHLLOKOSA-N 1 0 217.356 3.788 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000641980206 362817117 /nfs/dbraw/zinc/81/71/17/362817117.db2.gz FTYVAARAAJQJND-LLVKDONJSA-N 1 0 225.763 3.989 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000641980207 362816468 /nfs/dbraw/zinc/81/64/68/362816468.db2.gz FTYVAARAAJQJND-NSHDSACASA-N 1 0 225.763 3.989 20 0 BHADRO CC(C)CC[N@H+](CCOc1ccccc1)C1CC1 ZINC000642094064 362850777 /nfs/dbraw/zinc/85/07/77/362850777.db2.gz GEBHARXKECIOEH-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000642094096 362850895 /nfs/dbraw/zinc/85/08/95/362850895.db2.gz KBFDVHBLGWAHHH-UHFFFAOYSA-N 1 0 235.346 3.836 20 0 BHADRO Cc1cccc(C[N@@H+](CC(C)C)C2CC2)c1 ZINC000642094169 362851091 /nfs/dbraw/zinc/85/10/91/362851091.db2.gz AESYCMQIGLOIPG-UHFFFAOYSA-N 1 0 217.356 3.615 20 0 BHADRO CC(C)C[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000642094187 362850808 /nfs/dbraw/zinc/85/08/08/362850808.db2.gz JQJAICMQSFVFJT-UHFFFAOYSA-N 1 0 237.774 3.960 20 0 BHADRO COc1ccc(C)cc1C[N@H+](CC(C)C)C1CC1 ZINC000642094244 362851031 /nfs/dbraw/zinc/85/10/31/362851031.db2.gz HWPWIQOTVOLGLN-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC(C)C[N@H+](CCCc1ccccc1)C1CC1 ZINC000642094250 362850854 /nfs/dbraw/zinc/85/08/54/362850854.db2.gz LBWULAQGWSFXJV-UHFFFAOYSA-N 1 0 231.383 3.740 20 0 BHADRO C[C@@H]([N@H+](C)CC1CCCCC1)C(C)(C)C ZINC000642095069 362852357 /nfs/dbraw/zinc/85/23/57/362852357.db2.gz JXJXSQJBHQTYJO-GFCCVEGCSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@H]([N@H+](C)CC1CCCCC1)C(C)(C)C ZINC000642095081 362852286 /nfs/dbraw/zinc/85/22/86/362852286.db2.gz JXJXSQJBHQTYJO-LBPRGKRZSA-N 1 0 211.393 3.933 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccccc1F)C(C)(C)C ZINC000642095236 362852165 /nfs/dbraw/zinc/85/21/65/362852165.db2.gz IJWOERFMYBMXID-LLVKDONJSA-N 1 0 223.335 3.692 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccccc1F)C(C)(C)C ZINC000642095237 362852042 /nfs/dbraw/zinc/85/20/42/362852042.db2.gz IJWOERFMYBMXID-NSHDSACASA-N 1 0 223.335 3.692 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000642095280 362852267 /nfs/dbraw/zinc/85/22/67/362852267.db2.gz VIXNKLSSVXEBKH-GFCCVEGCSA-N 1 0 205.345 3.553 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000642095281 362852241 /nfs/dbraw/zinc/85/22/41/362852241.db2.gz VIXNKLSSVXEBKH-LBPRGKRZSA-N 1 0 205.345 3.553 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000642095286 362852421 /nfs/dbraw/zinc/85/24/21/362852421.db2.gz XPUGAOKSCFKZSS-LLVKDONJSA-N 1 0 223.335 3.692 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000642095287 362852413 /nfs/dbraw/zinc/85/24/13/362852413.db2.gz XPUGAOKSCFKZSS-NSHDSACASA-N 1 0 223.335 3.692 20 0 BHADRO COc1cccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000642103062 362860720 /nfs/dbraw/zinc/86/07/20/362860720.db2.gz CRCJBWXYDUPLIR-GFCCVEGCSA-N 1 0 235.371 3.562 20 0 BHADRO COc1cccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000642103063 362860740 /nfs/dbraw/zinc/86/07/40/362860740.db2.gz CRCJBWXYDUPLIR-LBPRGKRZSA-N 1 0 235.371 3.562 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)Cc1cccnc1 ZINC000642188047 362901823 /nfs/dbraw/zinc/90/18/23/362901823.db2.gz WLHNZAGBVWNGQH-UHFFFAOYSA-N 1 0 248.414 3.976 20 0 BHADRO CCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000642189397 362902105 /nfs/dbraw/zinc/90/21/05/362902105.db2.gz IOSIKIQETPIAOF-UHFFFAOYSA-N 1 0 221.319 3.590 20 0 BHADRO CCCC[N@H+](Cc1cc(C)ccc1OC)C1CC1 ZINC000642189398 362902282 /nfs/dbraw/zinc/90/22/82/362902282.db2.gz IOYMXUMRJJMEPD-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO CCCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000642189399 362902172 /nfs/dbraw/zinc/90/21/72/362902172.db2.gz IOZLNXHVITZARC-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO CCCC[N@H+](CCCOc1ccccc1)C1CC1 ZINC000642189404 362902353 /nfs/dbraw/zinc/90/23/53/362902353.db2.gz JNNHALLDKKITCE-UHFFFAOYSA-N 1 0 247.382 3.720 20 0 BHADRO CCCC[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000642189411 362902126 /nfs/dbraw/zinc/90/21/26/362902126.db2.gz LRWSBOYDXDKOEF-UHFFFAOYSA-N 1 0 217.356 3.760 20 0 BHADRO CCCC[N@H+](CCOc1cccc(C)c1)C1CC1 ZINC000642189415 362901687 /nfs/dbraw/zinc/90/16/87/362901687.db2.gz NIXRBIIFGQPBKH-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000642189455 362902006 /nfs/dbraw/zinc/90/20/06/362902006.db2.gz UJKWRINOAYFRBX-UHFFFAOYSA-N 1 0 239.309 3.729 20 0 BHADRO CCCC[N@H+](CCCc1ccccc1)C1CC1 ZINC000642189548 362903068 /nfs/dbraw/zinc/90/30/68/362903068.db2.gz PUCZTUULBAJEDJ-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO CCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000642189564 362903167 /nfs/dbraw/zinc/90/31/67/362903167.db2.gz WSTMYOKZAUUEAE-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC000642189909 362904083 /nfs/dbraw/zinc/90/40/83/362904083.db2.gz GYVVFJUUQIGKFH-DOMZBBRYSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC000642189910 362904099 /nfs/dbraw/zinc/90/40/99/362904099.db2.gz GYVVFJUUQIGKFH-IUODEOHRSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC000642189911 362904159 /nfs/dbraw/zinc/90/41/59/362904159.db2.gz GYVVFJUUQIGKFH-SWLSCSKDSA-N 1 0 235.346 3.836 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC000642189912 362903455 /nfs/dbraw/zinc/90/34/55/362903455.db2.gz GYVVFJUUQIGKFH-WFASDCNBSA-N 1 0 235.346 3.836 20 0 BHADRO COc1ccc(C[NH+](CC(C)C)CC(C)C)cc1 ZINC000642190405 362903575 /nfs/dbraw/zinc/90/35/75/362903575.db2.gz DCJHIVBQRIJTNO-UHFFFAOYSA-N 1 0 249.398 3.809 20 0 BHADRO Cc1cc(OC[C@@H]2CCC(F)(F)C2)cc(C)[nH+]1 ZINC000642218520 362933768 /nfs/dbraw/zinc/93/37/68/362933768.db2.gz GMQRDEYWDRLTCX-LLVKDONJSA-N 1 0 241.281 3.513 20 0 BHADRO Cc1cc(OC[C@H]2CCC(F)(F)C2)cc(C)[nH+]1 ZINC000642218521 362933984 /nfs/dbraw/zinc/93/39/84/362933984.db2.gz GMQRDEYWDRLTCX-NSHDSACASA-N 1 0 241.281 3.513 20 0 BHADRO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000642252657 362995394 /nfs/dbraw/zinc/99/53/94/362995394.db2.gz HBAAXTRGOUQHNQ-HNNXBMFYSA-N 1 0 249.398 3.659 20 0 BHADRO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000642252658 362995170 /nfs/dbraw/zinc/99/51/70/362995170.db2.gz HBAAXTRGOUQHNQ-OAHLLOKOSA-N 1 0 249.398 3.659 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000642252752 362994886 /nfs/dbraw/zinc/99/48/86/362994886.db2.gz UTZVJIKXYUJRKG-AWEZNQCLSA-N 1 0 219.372 3.780 20 0 BHADRO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000642252753 362995251 /nfs/dbraw/zinc/99/52/51/362995251.db2.gz UTZVJIKXYUJRKG-CQSZACIVSA-N 1 0 219.372 3.780 20 0 BHADRO Cc1cccc(C)c1OCC[N@@H+](C)[C@@H](C)C(C)C ZINC000642253176 362996596 /nfs/dbraw/zinc/99/65/96/362996596.db2.gz LXPDQYHYOOHBKZ-HNNXBMFYSA-N 1 0 249.398 3.659 20 0 BHADRO Cc1cccc(C)c1OCC[N@@H+](C)[C@H](C)C(C)C ZINC000642253177 362996010 /nfs/dbraw/zinc/99/60/10/362996010.db2.gz LXPDQYHYOOHBKZ-OAHLLOKOSA-N 1 0 249.398 3.659 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000642253268 362996462 /nfs/dbraw/zinc/99/64/62/362996462.db2.gz UDTXRDCSRKONTN-LLVKDONJSA-N 1 0 225.763 3.816 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000642253269 362996209 /nfs/dbraw/zinc/99/62/09/362996209.db2.gz UDTXRDCSRKONTN-NSHDSACASA-N 1 0 225.763 3.816 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000642253479 362997368 /nfs/dbraw/zinc/99/73/68/362997368.db2.gz NMDGPTAENXZZAO-LLVKDONJSA-N 1 0 225.763 3.960 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000642253480 362997564 /nfs/dbraw/zinc/99/75/64/362997564.db2.gz NMDGPTAENXZZAO-NSHDSACASA-N 1 0 225.763 3.960 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000642330820 363362924 /nfs/dbraw/zinc/36/29/24/363362924.db2.gz SAKDAWMGMOKYHW-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000642330821 363362811 /nfs/dbraw/zinc/36/28/11/363362811.db2.gz SAKDAWMGMOKYHW-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000642339452 363414702 /nfs/dbraw/zinc/41/47/02/363414702.db2.gz GYMZRPZSSVYEEJ-GDBMZVCRSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000642339453 363413550 /nfs/dbraw/zinc/41/35/50/363413550.db2.gz GYMZRPZSSVYEEJ-GOEBONIOSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000642339454 363413228 /nfs/dbraw/zinc/41/32/28/363413228.db2.gz GYMZRPZSSVYEEJ-HOCLYGCPSA-N 1 0 243.394 3.887 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000642339455 363413077 /nfs/dbraw/zinc/41/30/77/363413077.db2.gz GYMZRPZSSVYEEJ-ZBFHGGJFSA-N 1 0 243.394 3.887 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2)o1 ZINC000642342542 363447908 /nfs/dbraw/zinc/44/79/08/363447908.db2.gz FEPUMQIXFPWRGJ-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccc(C)cc2C)o1 ZINC000642342555 363447820 /nfs/dbraw/zinc/44/78/20/363447820.db2.gz GVMLJVWNZIFURR-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2cccc(C)c2C)o1 ZINC000642342556 363447755 /nfs/dbraw/zinc/44/77/55/363447755.db2.gz HCBRDUPZWCWFLT-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000642342559 363447798 /nfs/dbraw/zinc/44/77/98/363447798.db2.gz HPIRKYNKFAUGQV-GXTWGEPZSA-N 1 0 249.398 3.935 20 0 BHADRO Cc1ccc(CC[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000642342560 363448426 /nfs/dbraw/zinc/44/84/26/363448426.db2.gz HPIRKYNKFAUGQV-JSGCOSHPSA-N 1 0 249.398 3.935 20 0 BHADRO Cc1ccc(CC[NH2+]Cc2ccccc2Cl)o1 ZINC000642342650 363448204 /nfs/dbraw/zinc/44/82/04/363448204.db2.gz WXMMTGGRRLZDJP-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC[N@@H+](Cc1ccccc1Cl)CC(C)C ZINC000642342926 363450131 /nfs/dbraw/zinc/45/01/31/363450131.db2.gz RLNIMWBHQUBNPU-UHFFFAOYSA-N 1 0 225.763 3.818 20 0 BHADRO CC[NH+](CC)C[C@H](c1ccccc1)C(C)C ZINC000642348001 363481947 /nfs/dbraw/zinc/48/19/47/363481947.db2.gz ADEIYSJYFONXDW-HNNXBMFYSA-N 1 0 219.372 3.768 20 0 BHADRO CC[NH+](CC)C[C@@H](c1ccccc1)C(C)C ZINC000642348003 363482156 /nfs/dbraw/zinc/48/21/56/363482156.db2.gz ADEIYSJYFONXDW-OAHLLOKOSA-N 1 0 219.372 3.768 20 0 BHADRO Cc1ccc(CC[NH+](CC(C)C)CC(C)C)o1 ZINC000642348034 363481809 /nfs/dbraw/zinc/48/18/09/363481809.db2.gz HKIOZBWUQORJNP-UHFFFAOYSA-N 1 0 237.387 3.745 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000642524804 368173810 /nfs/dbraw/zinc/17/38/10/368173810.db2.gz WDYDCEWOTWOEJN-ILXRZTDVSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000642524807 368173988 /nfs/dbraw/zinc/17/39/88/368173988.db2.gz WDYDCEWOTWOEJN-KKUMJFAQSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000642524808 368174119 /nfs/dbraw/zinc/17/41/19/368174119.db2.gz WDYDCEWOTWOEJN-QLFBSQMISA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000642524809 368174178 /nfs/dbraw/zinc/17/41/78/368174178.db2.gz WDYDCEWOTWOEJN-SOUVJXGZSA-N 1 0 241.419 3.558 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000642525917 368175473 /nfs/dbraw/zinc/17/54/73/368175473.db2.gz YRDPCGRPNPNPKQ-ILXRZTDVSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000642525918 368175337 /nfs/dbraw/zinc/17/53/37/368175337.db2.gz YRDPCGRPNPNPKQ-KKUMJFAQSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000642525919 368174703 /nfs/dbraw/zinc/17/47/03/368174703.db2.gz YRDPCGRPNPNPKQ-QLFBSQMISA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@@H+](Cc1cc(C)ccc1C)CC(C)C ZINC000642526635 368174481 /nfs/dbraw/zinc/17/44/81/368174481.db2.gz AKIIVNQYYQZXPT-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC[N@H+](C/C=C/c1ccccc1)CC(C)C ZINC000642526684 368174579 /nfs/dbraw/zinc/17/45/79/368174579.db2.gz ILELCENBSWKBAX-DHZHZOJOSA-N 1 0 217.356 3.678 20 0 BHADRO CC[N@H+](C/C=C\c1ccccc1)CC(C)C ZINC000642526690 368174931 /nfs/dbraw/zinc/17/49/31/368174931.db2.gz ILELCENBSWKBAX-FLIBITNWSA-N 1 0 217.356 3.678 20 0 BHADRO CC[N@@H+](Cc1ccc(SC)cc1)CC(C)C ZINC000642526777 368175559 /nfs/dbraw/zinc/17/55/59/368175559.db2.gz LWQVEVZLFPTVAE-UHFFFAOYSA-N 1 0 237.412 3.886 20 0 BHADRO CC[N@@H+](Cc1ccc(F)cc1Cl)CC(C)C ZINC000642526934 368175230 /nfs/dbraw/zinc/17/52/30/368175230.db2.gz RMSVSGPSKZGLOY-UHFFFAOYSA-N 1 0 243.753 3.957 20 0 BHADRO CC[N@@H+](Cc1cc(C)cc(C)c1)CC(C)C ZINC000642526965 368175010 /nfs/dbraw/zinc/17/50/10/368175010.db2.gz VTAJLMKLHLDFAP-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000642529460 368177348 /nfs/dbraw/zinc/17/73/48/368177348.db2.gz QKSYDHKVZZEKNK-CYBMUJFWSA-N 1 0 223.385 3.931 20 0 BHADRO CC(C)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000642529461 368176488 /nfs/dbraw/zinc/17/64/88/368176488.db2.gz QKSYDHKVZZEKNK-ZDUSSCGKSA-N 1 0 223.385 3.931 20 0 BHADRO CCC[NH+](CCC)CCO[C@H]1CCCC[C@H]1C ZINC000642529583 368177311 /nfs/dbraw/zinc/17/73/11/368177311.db2.gz SZFZBIKICMTCHD-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCC[NH+](CCC)CCO[C@H]1CCCC[C@@H]1C ZINC000642529584 368176885 /nfs/dbraw/zinc/17/68/85/368176885.db2.gz SZFZBIKICMTCHD-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[NH+](CCC)CCO[C@@H]1CCCC[C@H]1C ZINC000642529585 368176108 /nfs/dbraw/zinc/17/61/08/368176108.db2.gz SZFZBIKICMTCHD-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[NH+](CCC)CCO[C@@H]1CCCC[C@@H]1C ZINC000642529586 368176569 /nfs/dbraw/zinc/17/65/69/368176569.db2.gz SZFZBIKICMTCHD-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)C[NH+](Cc1ccsc1)CC(C)C ZINC000642576172 368573006 /nfs/dbraw/zinc/57/30/06/368573006.db2.gz IAQOVDHSEWXLLW-UHFFFAOYSA-N 1 0 225.401 3.862 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(CC)s1 ZINC000642578656 368577027 /nfs/dbraw/zinc/57/70/27/368577027.db2.gz CEPKOEHGNXMDMP-UHFFFAOYSA-N 1 0 225.401 3.933 20 0 BHADRO CCCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000642619992 388623054 /nfs/dbraw/zinc/62/30/54/388623054.db2.gz DENQCBBPVPHIAQ-JTQLQIEISA-N 1 0 227.298 3.758 20 0 BHADRO CCCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000642619993 388622825 /nfs/dbraw/zinc/62/28/25/388622825.db2.gz DENQCBBPVPHIAQ-SNVBAGLBSA-N 1 0 227.298 3.758 20 0 BHADRO c1ccc(C[N@@H+](CC2CCCC2)C2CC2)cc1 ZINC000642620180 388622837 /nfs/dbraw/zinc/62/28/37/388622837.db2.gz QFGGBXZRUJETGT-UHFFFAOYSA-N 1 0 229.367 3.841 20 0 BHADRO c1csc(C[N@@H+](CC2CCCC2)C2CC2)c1 ZINC000642620266 388623291 /nfs/dbraw/zinc/62/32/91/388623291.db2.gz OBRZSOGVPUMZSI-UHFFFAOYSA-N 1 0 235.396 3.903 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1CC1CCCC1 ZINC000642620286 388622871 /nfs/dbraw/zinc/62/28/71/388622871.db2.gz VERQYNLMUAVPCD-LLVKDONJSA-N 1 0 235.396 3.857 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1CC1CCCC1 ZINC000642620287 388623386 /nfs/dbraw/zinc/62/33/86/388623386.db2.gz VERQYNLMUAVPCD-NSHDSACASA-N 1 0 235.396 3.857 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1CCCC1 ZINC000642620419 388623178 /nfs/dbraw/zinc/62/31/78/388623178.db2.gz FEHICIKIJCHUFD-LLVKDONJSA-N 1 0 223.385 3.931 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1CCCC1 ZINC000642620420 388622584 /nfs/dbraw/zinc/62/25/84/388622584.db2.gz FEHICIKIJCHUFD-NSHDSACASA-N 1 0 223.385 3.931 20 0 BHADRO CCOc1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000642620687 388625576 /nfs/dbraw/zinc/62/55/76/388625576.db2.gz UIFJYFQIIWRDLJ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC[N@@H+](Cc1cccc(F)c1)CC1CCCC1 ZINC000642620716 388625849 /nfs/dbraw/zinc/62/58/49/388625849.db2.gz FFNMDOSKJYSHBL-UHFFFAOYSA-N 1 0 235.346 3.838 20 0 BHADRO C[N@@H+](Cc1ccc(F)c(F)c1)CC1CCCC1 ZINC000642621342 388626506 /nfs/dbraw/zinc/62/65/06/388626506.db2.gz CWJQMYAVLXSMMD-UHFFFAOYSA-N 1 0 239.309 3.587 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000642621567 388626569 /nfs/dbraw/zinc/62/65/69/388626569.db2.gz KVDZIJPTMZNUAL-BFHYXJOUSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000642621568 388626657 /nfs/dbraw/zinc/62/66/57/388626657.db2.gz KVDZIJPTMZNUAL-IHRRRGAJSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000642621569 388626387 /nfs/dbraw/zinc/62/63/87/388626387.db2.gz KVDZIJPTMZNUAL-MELADBBJSA-N 1 0 209.377 3.687 20 0 BHADRO CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000642621570 388626306 /nfs/dbraw/zinc/62/63/06/388626306.db2.gz KVDZIJPTMZNUAL-MJBXVCDLSA-N 1 0 209.377 3.687 20 0 BHADRO CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000642629640 388685164 /nfs/dbraw/zinc/68/51/64/388685164.db2.gz TVFZDBAKBMBANG-CYBMUJFWSA-N 1 0 217.356 3.697 20 0 BHADRO CC(C)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000642630048 388688220 /nfs/dbraw/zinc/68/82/20/388688220.db2.gz WJOVNOPCPZFSHL-CQSZACIVSA-N 1 0 231.383 3.943 20 0 BHADRO C(C1CCCC1)[N@H+](C1CC1)C1CCCCC1 ZINC000642634128 388747716 /nfs/dbraw/zinc/74/77/16/388747716.db2.gz RPUGJAVOUMNXDN-UHFFFAOYSA-N 1 0 221.388 3.974 20 0 BHADRO CC(C)CC[N@H+](C1CC1)C1CCCCC1 ZINC000642634210 388749221 /nfs/dbraw/zinc/74/92/21/388749221.db2.gz HUYCXMIFZGIICY-UHFFFAOYSA-N 1 0 209.377 3.830 20 0 BHADRO CC(C)CC[N@H+](CC1CCCC1)C1CC1 ZINC000642634581 388755356 /nfs/dbraw/zinc/75/53/56/388755356.db2.gz GKTOUHGKFWDOQL-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000642636104 388779987 /nfs/dbraw/zinc/77/99/87/388779987.db2.gz BRGIRJOADAONAB-GXTWGEPZSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000642636105 388779228 /nfs/dbraw/zinc/77/92/28/388779228.db2.gz BRGIRJOADAONAB-JSGCOSHPSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000642636106 388779734 /nfs/dbraw/zinc/77/97/34/388779734.db2.gz BRGIRJOADAONAB-OCCSQVGLSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000642636107 388779679 /nfs/dbraw/zinc/77/96/79/388779679.db2.gz BRGIRJOADAONAB-TZMCWYRMSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000642642197 398317761 /nfs/dbraw/zinc/31/77/61/398317761.db2.gz GPIJKWSYTCQNTF-GDBMZVCRSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000642642198 398317821 /nfs/dbraw/zinc/31/78/21/398317821.db2.gz GPIJKWSYTCQNTF-GOEBONIOSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000642642313 388818451 /nfs/dbraw/zinc/81/84/51/388818451.db2.gz VCOXTYRPOUBDHP-ZDUSSCGKSA-N 1 0 205.345 3.644 20 0 BHADRO CC[N@H+](CCOc1ccccc1C)C1CCCC1 ZINC000642642639 398317915 /nfs/dbraw/zinc/31/79/15/398317915.db2.gz VNCQLSWUPBFUSU-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000643253789 385990258 /nfs/dbraw/zinc/99/02/58/385990258.db2.gz MUBDDXZIAOBPOA-JTQLQIEISA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000643253790 385990901 /nfs/dbraw/zinc/99/09/01/385990901.db2.gz MUBDDXZIAOBPOA-SNVBAGLBSA-N 1 0 235.293 3.593 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000643254528 385988888 /nfs/dbraw/zinc/98/88/88/385988888.db2.gz OCHWRIOMANONQX-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000643254529 385987321 /nfs/dbraw/zinc/98/73/21/385987321.db2.gz OCHWRIOMANONQX-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000643254530 385988407 /nfs/dbraw/zinc/98/84/07/385988407.db2.gz OCHWRIOMANONQX-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000643254531 385986697 /nfs/dbraw/zinc/98/66/97/385986697.db2.gz OCHWRIOMANONQX-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO CC(C)N(CC(F)F)[C@H](C)c1ccsc1 ZINC000643255288 398116661 /nfs/dbraw/zinc/11/66/61/398116661.db2.gz UZPVHRQZPFXXNZ-SECBINFHSA-N 1 0 233.327 3.785 20 0 BHADRO CC(C)N(CC(F)F)[C@@H](C)c1ccsc1 ZINC000643255289 398116832 /nfs/dbraw/zinc/11/68/32/398116832.db2.gz UZPVHRQZPFXXNZ-VIFPVBQESA-N 1 0 233.327 3.785 20 0 BHADRO Cc1cccc(C[NH2+]C2CC3(C2)CCCCC3)n1 ZINC000643287254 386055712 /nfs/dbraw/zinc/05/57/12/386055712.db2.gz USHLSHYOYMRZCR-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1occc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000643287727 386051425 /nfs/dbraw/zinc/05/14/25/386051425.db2.gz QMLYEVNNSFMJRV-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO C1=CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000643290917 386064681 /nfs/dbraw/zinc/06/46/81/386064681.db2.gz GAYVLUADLBBGHD-CVEARBPZSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000643290918 386063280 /nfs/dbraw/zinc/06/32/80/386063280.db2.gz GAYVLUADLBBGHD-HOTGVXAUSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000643290919 386065322 /nfs/dbraw/zinc/06/53/22/386065322.db2.gz GAYVLUADLBBGHD-HZPDHXFCSA-N 1 0 227.351 3.631 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000643290920 386064781 /nfs/dbraw/zinc/06/47/81/386064781.db2.gz GAYVLUADLBBGHD-JKSUJKDBSA-N 1 0 227.351 3.631 20 0 BHADRO FC1(F)CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643290962 386064649 /nfs/dbraw/zinc/06/46/49/386064649.db2.gz LVTKPSWJQVGLRY-LLVKDONJSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643290963 386063647 /nfs/dbraw/zinc/06/36/47/386063647.db2.gz LVTKPSWJQVGLRY-NSHDSACASA-N 1 0 243.341 3.877 20 0 BHADRO CC(C)COc1ccccc1C[NH2+]C1CC=CC1 ZINC000643290965 386064880 /nfs/dbraw/zinc/06/48/80/386064880.db2.gz MDJHKSLWARGUME-UHFFFAOYSA-N 1 0 245.366 3.530 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000643291007 386064987 /nfs/dbraw/zinc/06/49/87/386064987.db2.gz RROPWPJLGHDBGK-DOTOQJQBSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000643291008 386063801 /nfs/dbraw/zinc/06/38/01/386063801.db2.gz RROPWPJLGHDBGK-NVXWUHKLSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000643291009 386064131 /nfs/dbraw/zinc/06/41/31/386064131.db2.gz RROPWPJLGHDBGK-RDJZCZTQSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000643291010 386065384 /nfs/dbraw/zinc/06/53/84/386065384.db2.gz RROPWPJLGHDBGK-WBVHZDCISA-N 1 0 241.378 3.706 20 0 BHADRO Cc1cc(F)c(C[NH2+]C2CC=CC2)c(Cl)c1 ZINC000643291069 386065454 /nfs/dbraw/zinc/06/54/54/386065454.db2.gz ZPLXGXKHCLEXKG-UHFFFAOYSA-N 1 0 239.721 3.596 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC=CC2)cc1 ZINC000643291070 386065152 /nfs/dbraw/zinc/06/51/52/386065152.db2.gz ZROJUSVZBSOOBR-DLBZAZTESA-N 1 0 241.378 3.939 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CC=CC2)cc1 ZINC000643291071 386063943 /nfs/dbraw/zinc/06/39/43/386063943.db2.gz ZROJUSVZBSOOBR-IAGOWNOFSA-N 1 0 241.378 3.939 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC=CC2)cc1 ZINC000643291072 386063325 /nfs/dbraw/zinc/06/33/25/386063325.db2.gz ZROJUSVZBSOOBR-IRXDYDNUSA-N 1 0 241.378 3.939 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC=CC2)cc1 ZINC000643291073 386064656 /nfs/dbraw/zinc/06/46/56/386064656.db2.gz ZROJUSVZBSOOBR-SJORKVTESA-N 1 0 241.378 3.939 20 0 BHADRO CC(C)([NH2+]C1CC2(C1)CCCCC2)C(F)F ZINC000643293314 386080892 /nfs/dbraw/zinc/08/08/92/386080892.db2.gz DXDVHUVSSPRBNU-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCCF ZINC000643321258 386279503 /nfs/dbraw/zinc/27/95/03/386279503.db2.gz YDGQAOCOSQHLFR-DOMZBBRYSA-N 1 0 235.346 3.649 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCF ZINC000643321259 386278995 /nfs/dbraw/zinc/27/89/95/386278995.db2.gz YDGQAOCOSQHLFR-IUODEOHRSA-N 1 0 235.346 3.649 20 0 BHADRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCF ZINC000643321260 386278550 /nfs/dbraw/zinc/27/85/50/386278550.db2.gz YDGQAOCOSQHLFR-SWLSCSKDSA-N 1 0 235.346 3.649 20 0 BHADRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCCF ZINC000643321261 386278323 /nfs/dbraw/zinc/27/83/23/386278323.db2.gz YDGQAOCOSQHLFR-WFASDCNBSA-N 1 0 235.346 3.649 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000643340998 386533874 /nfs/dbraw/zinc/53/38/74/386533874.db2.gz FRVGZUREWZPDPJ-NXEZZACHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000643340999 386534496 /nfs/dbraw/zinc/53/44/96/386534496.db2.gz FRVGZUREWZPDPJ-UWVGGRQHSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000643341000 386534088 /nfs/dbraw/zinc/53/40/88/386534088.db2.gz FRVGZUREWZPDPJ-VHSXEESVSA-N 1 0 226.751 3.574 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000643341001 386535378 /nfs/dbraw/zinc/53/53/78/386535378.db2.gz FRVGZUREWZPDPJ-ZJUUUORDSA-N 1 0 226.751 3.574 20 0 BHADRO C[C@H](CC[NH+]1CC(C2CC2)C1)c1ccccc1 ZINC000643345112 384375315 /nfs/dbraw/zinc/37/53/15/384375315.db2.gz BMCAEWBQYUEQSD-CYBMUJFWSA-N 1 0 229.367 3.522 20 0 BHADRO C[C@@H](CC[NH+]1CC(C2CC2)C1)c1ccccc1 ZINC000643345113 384376646 /nfs/dbraw/zinc/37/66/46/384376646.db2.gz BMCAEWBQYUEQSD-ZDUSSCGKSA-N 1 0 229.367 3.522 20 0 BHADRO c1ccc2cc(C[NH+]3CC(C4CC4)C3)ccc2c1 ZINC000643345136 384375680 /nfs/dbraw/zinc/37/56/80/384375680.db2.gz CTTVHPYNDXGOEQ-UHFFFAOYSA-N 1 0 237.346 3.682 20 0 BHADRO Cc1oc2ccccc2c1C[NH+]1CC(C2CC2)C1 ZINC000643345375 384381613 /nfs/dbraw/zinc/38/16/13/384381613.db2.gz UAIUAVREHUBSRO-UHFFFAOYSA-N 1 0 241.334 3.583 20 0 BHADRO CC[C@H](C[NH+]1CC(C2CC2)C1)c1ccccc1 ZINC000643345395 384379381 /nfs/dbraw/zinc/37/93/81/384379381.db2.gz VBCRKQSMIHPEGW-CYBMUJFWSA-N 1 0 229.367 3.522 20 0 BHADRO CC[C@@H](C[NH+]1CC(C2CC2)C1)c1ccccc1 ZINC000643345396 384381560 /nfs/dbraw/zinc/38/15/60/384381560.db2.gz VBCRKQSMIHPEGW-ZDUSSCGKSA-N 1 0 229.367 3.522 20 0 BHADRO CCSc1cccc(C[NH+]2CC(C3CC3)C2)c1 ZINC000643345407 384380524 /nfs/dbraw/zinc/38/05/24/384380524.db2.gz VMWGFFOILZPBEL-UHFFFAOYSA-N 1 0 247.407 3.640 20 0 BHADRO c1ccc2c(c1)cccc2C[NH+]1CC(C2CC2)C1 ZINC000643345713 384423399 /nfs/dbraw/zinc/42/33/99/384423399.db2.gz HZFORBJIYMZFDW-UHFFFAOYSA-N 1 0 237.346 3.682 20 0 BHADRO c1sc2ccccc2c1C[NH+]1CC(C2CC2)C1 ZINC000643345760 384423972 /nfs/dbraw/zinc/42/39/72/384423972.db2.gz KUXGTDMVGZJMEO-UHFFFAOYSA-N 1 0 243.375 3.743 20 0 BHADRO CC(C)(C)c1ccc(C[NH+]2CC(C3CC3)C2)s1 ZINC000643345776 384423671 /nfs/dbraw/zinc/42/36/71/384423671.db2.gz LRAVYEQOJGDFOR-UHFFFAOYSA-N 1 0 249.423 3.887 20 0 BHADRO CC(C)c1ccc(C[NH+]2CC(C3CC3)C2)cc1 ZINC000643345805 384423285 /nfs/dbraw/zinc/42/32/85/384423285.db2.gz NTCJLHQPZOYKCQ-UHFFFAOYSA-N 1 0 229.367 3.652 20 0 BHADRO c1c2ccccc2sc1C[NH+]1CC(C2CC2)C1 ZINC000643346022 384424486 /nfs/dbraw/zinc/42/44/86/384424486.db2.gz XJFDMTSDUCGFRN-UHFFFAOYSA-N 1 0 243.375 3.743 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccncc1Cl ZINC000643347243 384758980 /nfs/dbraw/zinc/75/89/80/384758980.db2.gz MUIRLLHVLASFLC-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccncc1Cl ZINC000643347244 384758347 /nfs/dbraw/zinc/75/83/47/384758347.db2.gz MUIRLLHVLASFLC-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccncc1Cl ZINC000643347245 384760166 /nfs/dbraw/zinc/76/01/66/384760166.db2.gz MUIRLLHVLASFLC-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)C1CCC1 ZINC000643347246 384759137 /nfs/dbraw/zinc/75/91/37/384759137.db2.gz MUIRLLHVLASFLC-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO CC(C)CC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000643366403 385643991 /nfs/dbraw/zinc/64/39/91/385643991.db2.gz NANUBKLEJGYABZ-HOTGVXAUSA-N 1 0 231.383 3.768 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000643368316 385667476 /nfs/dbraw/zinc/66/74/76/385667476.db2.gz VTEYFFRUJQGZPX-HZPDHXFCSA-N 1 0 241.334 3.658 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000643369409 385827795 /nfs/dbraw/zinc/82/77/95/385827795.db2.gz TZRPCZRUPKPUPI-ULQDDVLXSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000643369410 385827467 /nfs/dbraw/zinc/82/74/67/385827467.db2.gz TZRPCZRUPKPUPI-YESZJQIVSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000643375243 385924800 /nfs/dbraw/zinc/92/48/00/385924800.db2.gz NVEYNBJWPRFVDU-NXOAAHMSSA-N 1 0 239.362 3.583 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH+]2CCC3(CC3)CC2)cc1 ZINC000643375340 385977198 /nfs/dbraw/zinc/97/71/98/385977198.db2.gz BSVOAKKUOVVLSD-HOTGVXAUSA-N 1 0 241.378 3.666 20 0 BHADRO CC[N@H+](CCCOC(C)(C)C)CC(C)(C)C ZINC000643409778 386531473 /nfs/dbraw/zinc/53/14/73/386531473.db2.gz BAHAPDMSKDKZFT-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000643801117 385110401 /nfs/dbraw/zinc/11/04/01/385110401.db2.gz BEOKWSLSDPBOSG-CMPLNLGQSA-N 1 0 241.787 3.680 20 0 BHADRO c1cc(C[NH2+][C@H](C2CCC2)C2CCCCC2)no1 ZINC000643883647 384728002 /nfs/dbraw/zinc/72/80/02/384728002.db2.gz YURGDYPVFDFKAI-HNNXBMFYSA-N 1 0 248.370 3.513 20 0 BHADRO c1cc(C[NH2+][C@@H](C2CCC2)C2CCCCC2)no1 ZINC000643883648 384730997 /nfs/dbraw/zinc/73/09/97/384730997.db2.gz YURGDYPVFDFKAI-OAHLLOKOSA-N 1 0 248.370 3.513 20 0 BHADRO c1nc(C[NH2+][C@H](C2CCC2)C2CCCCC2)co1 ZINC000643884845 384730702 /nfs/dbraw/zinc/73/07/02/384730702.db2.gz SQYCDLVEUOSQLW-HNNXBMFYSA-N 1 0 248.370 3.513 20 0 BHADRO c1nc(C[NH2+][C@@H](C2CCC2)C2CCCCC2)co1 ZINC000643884846 384728317 /nfs/dbraw/zinc/72/83/17/384728317.db2.gz SQYCDLVEUOSQLW-OAHLLOKOSA-N 1 0 248.370 3.513 20 0 BHADRO CCC[N@@H+](Cc1ccc2[nH]ccc2c1)CC1CC1 ZINC000643885367 384730921 /nfs/dbraw/zinc/73/09/21/384730921.db2.gz SKNNCRQEJHLHJC-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000643899484 384744103 /nfs/dbraw/zinc/74/41/03/384744103.db2.gz IIZGSJWYPQWOFG-WHOFXGATSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000643899485 384744774 /nfs/dbraw/zinc/74/47/74/384744774.db2.gz IIZGSJWYPQWOFG-ZLDLUXBVSA-N 1 0 249.423 3.705 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c(C)n1 ZINC000643908983 384938155 /nfs/dbraw/zinc/93/81/55/384938155.db2.gz GNQBWFWLRSOUNK-UHOFOFEASA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c(C)n1 ZINC000643908984 384936884 /nfs/dbraw/zinc/93/68/84/384936884.db2.gz GNQBWFWLRSOUNK-VBNZEHGJSA-N 1 0 244.382 3.538 20 0 BHADRO CCCc1ccc([C@@H]([NH2+]CCOC)C(C)C)cc1 ZINC000644326575 384829755 /nfs/dbraw/zinc/82/97/55/384829755.db2.gz OTVQGUFCXFAXDY-INIZCTEOSA-N 1 0 249.398 3.572 20 0 BHADRO CCCc1ccc([C@H]([NH2+]CCOC)C(C)C)cc1 ZINC000644326585 384830842 /nfs/dbraw/zinc/83/08/42/384830842.db2.gz OTVQGUFCXFAXDY-MRXNPFEDSA-N 1 0 249.398 3.572 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000644328375 384824993 /nfs/dbraw/zinc/82/49/93/384824993.db2.gz XVJWHUBAYMPSBS-IYKSTZQJSA-N 1 0 233.355 3.558 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000644328376 384826066 /nfs/dbraw/zinc/82/60/66/384826066.db2.gz XVJWHUBAYMPSBS-LLYBFZRZSA-N 1 0 233.355 3.558 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000644328377 384826853 /nfs/dbraw/zinc/82/68/53/384826853.db2.gz XVJWHUBAYMPSBS-NFAHFFEMSA-N 1 0 233.355 3.558 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000644328378 384825739 /nfs/dbraw/zinc/82/57/39/384825739.db2.gz XVJWHUBAYMPSBS-YVACAVLKSA-N 1 0 233.355 3.558 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccn1 ZINC000644538222 397837284 /nfs/dbraw/zinc/83/72/84/397837284.db2.gz YSTXUTRJJIGUFD-MYZSUADSSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccn1 ZINC000644538242 397837440 /nfs/dbraw/zinc/83/74/40/397837440.db2.gz YSTXUTRJJIGUFD-NZBPQXDJSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000644538245 397837432 /nfs/dbraw/zinc/83/74/32/397837432.db2.gz YSTXUTRJJIGUFD-PAPYEOQZSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccn1 ZINC000644538247 397837320 /nfs/dbraw/zinc/83/73/20/397837320.db2.gz YSTXUTRJJIGUFD-RJZRQDKASA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]Cc1occc1C ZINC000644557014 384956474 /nfs/dbraw/zinc/95/64/74/384956474.db2.gz RKYXFHQRGPTFAE-GFCCVEGCSA-N 1 0 249.379 3.760 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]Cc1occc1C ZINC000644557028 384957108 /nfs/dbraw/zinc/95/71/08/384957108.db2.gz RKYXFHQRGPTFAE-LBPRGKRZSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1cc(-c2ccc3c(c2)CC(C)(C)O3)ccn1 ZINC000644614632 385018937 /nfs/dbraw/zinc/01/89/37/385018937.db2.gz XNDZIZHLOIXFSQ-UHFFFAOYSA-N 1 0 239.318 3.771 20 0 BHADRO CCC(C)(C)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000644657152 385064600 /nfs/dbraw/zinc/06/46/00/385064600.db2.gz UXGUQZGGENUXIL-HNNXBMFYSA-N 1 0 249.398 3.931 20 0 BHADRO CCC(C)(C)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000644657153 385065426 /nfs/dbraw/zinc/06/54/26/385065426.db2.gz UXGUQZGGENUXIL-OAHLLOKOSA-N 1 0 249.398 3.931 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CCC(C2CC2)CC1 ZINC000644717991 385135996 /nfs/dbraw/zinc/13/59/96/385135996.db2.gz AEGUENWPFLEUCI-CYBMUJFWSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CCC(C2CC2)CC1 ZINC000644717995 385136172 /nfs/dbraw/zinc/13/61/72/385136172.db2.gz AEGUENWPFLEUCI-ZDUSSCGKSA-N 1 0 229.367 3.870 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CCC(C2CC2)CC1 ZINC000644718023 385136310 /nfs/dbraw/zinc/13/63/10/385136310.db2.gz AXVPUGMLDHEMIG-DAXSKMNVSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CCC(C2CC2)CC1 ZINC000644718024 385136203 /nfs/dbraw/zinc/13/62/03/385136203.db2.gz AXVPUGMLDHEMIG-QPJJXVBHSA-N 1 0 241.378 3.822 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1CCC(C2CC2)CC1 ZINC000644719355 385138169 /nfs/dbraw/zinc/13/81/69/385138169.db2.gz TVPWVDIAPLVGFA-KRWDZBQOSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH+]1CCC(C2CC2)CC1 ZINC000644719361 385137702 /nfs/dbraw/zinc/13/77/02/385137702.db2.gz TVPWVDIAPLVGFA-QGZVFWFLSA-N 1 0 241.378 3.796 20 0 BHADRO Cc1ccccc1C[NH+]1CCC(C2CC2)CC1 ZINC000644719768 385138670 /nfs/dbraw/zinc/13/86/70/385138670.db2.gz HOCNIFMKWXVZDB-UHFFFAOYSA-N 1 0 229.367 3.617 20 0 BHADRO FC(F)(F)CCCC[NH+]1CCC(C2CC2)CC1 ZINC000644719905 385138806 /nfs/dbraw/zinc/13/88/06/385138806.db2.gz FUBPNCHDFLMAPT-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO c1cc(CCC[NH+]2CCC(C3CC3)CC2)cs1 ZINC000644720547 385137746 /nfs/dbraw/zinc/13/77/46/385137746.db2.gz KVRKHHDMTJICEJ-UHFFFAOYSA-N 1 0 249.423 3.803 20 0 BHADRO CC(C)(C)OCCC[NH+](C1CCC1)C1CCC1 ZINC000644785064 385188784 /nfs/dbraw/zinc/18/87/84/385188784.db2.gz PSLORFRHVIGZKD-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO CCOC1(C)CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000644834252 385777979 /nfs/dbraw/zinc/77/79/79/385777979.db2.gz ZQUPTMBYCRSMTR-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CCOC1(C)CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000644834256 385778468 /nfs/dbraw/zinc/77/84/68/385778468.db2.gz ZQUPTMBYCRSMTR-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F)C(C)(C)C ZINC000644834700 385807622 /nfs/dbraw/zinc/80/76/22/385807622.db2.gz IDCLYLFMYUGZCU-NTZNESFSSA-N 1 0 245.357 3.646 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F)C(C)(C)C ZINC000644834701 385807424 /nfs/dbraw/zinc/80/74/24/385807424.db2.gz IDCLYLFMYUGZCU-WZRBSPASSA-N 1 0 245.357 3.646 20 0 BHADRO CC1(C)C[N@H+](CC2CCCC2)[C@H]1c1cccnc1 ZINC000644835506 398084842 /nfs/dbraw/zinc/08/48/42/398084842.db2.gz PHJFGZDTFGTEKU-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@H+](CC2CCCC2)[C@@H]1c1cccnc1 ZINC000644835507 398084787 /nfs/dbraw/zinc/08/47/87/398084787.db2.gz PHJFGZDTFGTEKU-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1ccc(C[NH+]2CCC(C3CC3)CC2)s1 ZINC000644837857 385850112 /nfs/dbraw/zinc/85/01/12/385850112.db2.gz NUYXPVOTVXSKLD-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1CCC(C2CC2)CC1 ZINC000644837888 385850506 /nfs/dbraw/zinc/85/05/06/385850506.db2.gz OAQQBXCWCFPMCS-GFCCVEGCSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1CCC(C2CC2)CC1 ZINC000644837892 385850276 /nfs/dbraw/zinc/85/02/76/385850276.db2.gz OAQQBXCWCFPMCS-LBPRGKRZSA-N 1 0 249.423 3.801 20 0 BHADRO Clc1ccc(C[NH+]2CCC(C3CC3)CC2)o1 ZINC000644838451 385856057 /nfs/dbraw/zinc/85/60/57/385856057.db2.gz UDLFOEISVPMNTE-UHFFFAOYSA-N 1 0 239.746 3.555 20 0 BHADRO Cc1ccsc1C[NH+]1CCC(C2CC2)CC1 ZINC000644838761 385853649 /nfs/dbraw/zinc/85/36/49/385853649.db2.gz WUBMCORGBMXHNP-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000644840862 385874210 /nfs/dbraw/zinc/87/42/10/385874210.db2.gz RVZJLKFXBMBMMO-GFCCVEGCSA-N 1 0 223.360 3.702 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000644840864 385874957 /nfs/dbraw/zinc/87/49/57/385874957.db2.gz RVZJLKFXBMBMMO-LBPRGKRZSA-N 1 0 223.360 3.702 20 0 BHADRO CC[C@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000644843639 385885139 /nfs/dbraw/zinc/88/51/39/385885139.db2.gz CMRZQLCIEKMKRZ-AWEZNQCLSA-N 1 0 215.340 3.548 20 0 BHADRO CC[C@@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000644843640 385884067 /nfs/dbraw/zinc/88/40/67/385884067.db2.gz CMRZQLCIEKMKRZ-CQSZACIVSA-N 1 0 215.340 3.548 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000644890871 386322156 /nfs/dbraw/zinc/32/21/56/386322156.db2.gz QYARKCVPHRKJTK-DARAHFNDSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000644890875 386323416 /nfs/dbraw/zinc/32/34/16/386323416.db2.gz QYARKCVPHRKJTK-SDADXPQNSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000644890878 386322933 /nfs/dbraw/zinc/32/29/33/386322933.db2.gz QYARKCVPHRKJTK-UGQVUOCMSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000644890879 386323439 /nfs/dbraw/zinc/32/34/39/386323439.db2.gz QYARKCVPHRKJTK-WMHQRMGPSA-N 1 0 249.373 3.906 20 0 BHADRO CC1(C[NH2+]C[C@@H](c2ccccc2)C2CC2)CCC1 ZINC000644891738 386356467 /nfs/dbraw/zinc/35/64/67/386356467.db2.gz ZANQFRANNPSABA-INIZCTEOSA-N 1 0 243.394 3.960 20 0 BHADRO CC1(C[NH2+]C[C@H](c2ccccc2)C2CC2)CCC1 ZINC000644891739 386355687 /nfs/dbraw/zinc/35/56/87/386355687.db2.gz ZANQFRANNPSABA-MRXNPFEDSA-N 1 0 243.394 3.960 20 0 BHADRO C[C@@H](CF)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000644891901 386349873 /nfs/dbraw/zinc/34/98/73/386349873.db2.gz BHXBXCXGRHZIIK-ZDUSSCGKSA-N 1 0 243.325 3.801 20 0 BHADRO C[C@@H](CF)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000644891955 386352447 /nfs/dbraw/zinc/35/24/47/386352447.db2.gz KRNWGPFMWZMHFP-NSHDSACASA-N 1 0 249.354 3.863 20 0 BHADRO CC1(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CCC1 ZINC000644893387 386372057 /nfs/dbraw/zinc/37/20/57/386372057.db2.gz CILFMYXQMRGLBT-CTYIDZIISA-N 1 0 247.357 3.852 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000644893916 386409080 /nfs/dbraw/zinc/40/90/80/386409080.db2.gz AAWCKEJOXQNXJM-AJNGGQMLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000644893917 386407441 /nfs/dbraw/zinc/40/74/41/386407441.db2.gz AAWCKEJOXQNXJM-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000644893918 386407846 /nfs/dbraw/zinc/40/78/46/386407846.db2.gz AAWCKEJOXQNXJM-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000644893919 386408674 /nfs/dbraw/zinc/40/86/74/386408674.db2.gz AAWCKEJOXQNXJM-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1(C)CCC1 ZINC000645000101 386662316 /nfs/dbraw/zinc/66/23/16/386662316.db2.gz LDOCLWPTZRWOJE-GHMZBOCLSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1(C)CCC1 ZINC000645000102 386660848 /nfs/dbraw/zinc/66/08/48/386660848.db2.gz LDOCLWPTZRWOJE-MNOVXSKESA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1(C)CCC1 ZINC000645000103 386660748 /nfs/dbraw/zinc/66/07/48/386660748.db2.gz LDOCLWPTZRWOJE-QWRGUYRKSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1(C)CCC1 ZINC000645000104 386662305 /nfs/dbraw/zinc/66/23/05/386662305.db2.gz LDOCLWPTZRWOJE-WDEREUQCSA-N 1 0 249.320 3.839 20 0 BHADRO c1ccc([C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000645008782 386666362 /nfs/dbraw/zinc/66/63/62/386666362.db2.gz AHGHGRQCVGEXRD-HNNXBMFYSA-N 1 0 229.367 3.809 20 0 BHADRO c1ccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000645008783 386667383 /nfs/dbraw/zinc/66/73/83/386667383.db2.gz AHGHGRQCVGEXRD-OAHLLOKOSA-N 1 0 229.367 3.809 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000645051200 386695261 /nfs/dbraw/zinc/69/52/61/386695261.db2.gz PEHJXCLCNUNENY-INIZCTEOSA-N 1 0 229.367 3.660 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000645051203 386696331 /nfs/dbraw/zinc/69/63/31/386696331.db2.gz PEHJXCLCNUNENY-MRXNPFEDSA-N 1 0 229.367 3.660 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000645063988 386700786 /nfs/dbraw/zinc/70/07/86/386700786.db2.gz DAOHAYNRDSJCRG-HNNXBMFYSA-N 1 0 233.330 3.929 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000645063992 386701008 /nfs/dbraw/zinc/70/10/08/386701008.db2.gz DAOHAYNRDSJCRG-OAHLLOKOSA-N 1 0 233.330 3.929 20 0 BHADRO Cc1nc(C(C)C)ccc1C[N@@H+](C)CCC(C)C ZINC000645078257 386704017 /nfs/dbraw/zinc/70/40/17/386704017.db2.gz ZMWHSOTYFCDIKP-UHFFFAOYSA-N 1 0 248.414 3.991 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)nc1 ZINC000645083109 386709330 /nfs/dbraw/zinc/70/93/30/386709330.db2.gz AOTZTTYTOJBSLK-HNNXBMFYSA-N 1 0 246.398 3.655 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)nc1 ZINC000645083110 386709446 /nfs/dbraw/zinc/70/94/46/386709446.db2.gz AOTZTTYTOJBSLK-OAHLLOKOSA-N 1 0 246.398 3.655 20 0 BHADRO c1coc([C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)c1 ZINC000645087878 398175283 /nfs/dbraw/zinc/17/52/83/398175283.db2.gz DYAKPGHILIXZMI-CABCVRRESA-N 1 0 245.366 3.958 20 0 BHADRO c1coc([C@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)c1 ZINC000645087880 398175273 /nfs/dbraw/zinc/17/52/73/398175273.db2.gz DYAKPGHILIXZMI-GJZGRUSLSA-N 1 0 245.366 3.958 20 0 BHADRO c1coc([C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)c1 ZINC000645087881 398175267 /nfs/dbraw/zinc/17/52/67/398175267.db2.gz DYAKPGHILIXZMI-HUUCEWRRSA-N 1 0 245.366 3.958 20 0 BHADRO c1coc([C@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)c1 ZINC000645087882 398175293 /nfs/dbraw/zinc/17/52/93/398175293.db2.gz DYAKPGHILIXZMI-LSDHHAIUSA-N 1 0 245.366 3.958 20 0 BHADRO CCc1ccc(C[NH+]2C3CCCC2CCC3)nc1 ZINC000645089115 386712064 /nfs/dbraw/zinc/71/20/64/386712064.db2.gz NCYXSUIWOJUOLX-UHFFFAOYSA-N 1 0 244.382 3.551 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccc[nH]1)C1CCCCC1 ZINC000645090211 386708610 /nfs/dbraw/zinc/70/86/10/386708610.db2.gz SUSSWCSKMUVCGE-CYBMUJFWSA-N 1 0 234.387 3.663 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccc[nH]1)C1CCCCC1 ZINC000645090217 386706776 /nfs/dbraw/zinc/70/67/76/386706776.db2.gz SUSSWCSKMUVCGE-ZDUSSCGKSA-N 1 0 234.387 3.663 20 0 BHADRO C[N@H+](CCOC(C)(C)C)[C@H]1C=CCCCCC1 ZINC000645092015 386716153 /nfs/dbraw/zinc/71/61/53/386716153.db2.gz MDQGCRPJJBKWHP-AWEZNQCLSA-N 1 0 239.403 3.622 20 0 BHADRO C[N@H+](CCOC(C)(C)C)[C@@H]1C=CCCCCC1 ZINC000645092017 386718186 /nfs/dbraw/zinc/71/81/86/386718186.db2.gz MDQGCRPJJBKWHP-CQSZACIVSA-N 1 0 239.403 3.622 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000645102222 398177086 /nfs/dbraw/zinc/17/70/86/398177086.db2.gz HLSGQHFIWDBMIU-NEPJUHHUSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645102223 398177132 /nfs/dbraw/zinc/17/71/32/398177132.db2.gz HLSGQHFIWDBMIU-NWDGAFQWSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000645102225 398177161 /nfs/dbraw/zinc/17/71/61/398177161.db2.gz HLSGQHFIWDBMIU-RYUDHWBXSA-N 1 0 247.304 3.760 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645102226 386721639 /nfs/dbraw/zinc/72/16/39/386721639.db2.gz HLSGQHFIWDBMIU-VXGBXAGGSA-N 1 0 247.304 3.760 20 0 BHADRO C1=C[C@H]([NH+]2CCC3(CC3)CC2)CCCCC1 ZINC000645102871 398177076 /nfs/dbraw/zinc/17/70/76/398177076.db2.gz MESWXGAIZQLAIB-AWEZNQCLSA-N 1 0 219.372 3.751 20 0 BHADRO C1=C[C@@H]([NH+]2CCC3(CC3)CC2)CCCCC1 ZINC000645102872 398177121 /nfs/dbraw/zinc/17/71/21/398177121.db2.gz MESWXGAIZQLAIB-CQSZACIVSA-N 1 0 219.372 3.751 20 0 BHADRO FC1(F)CC2(C[NH+]([C@@H]3C=CCCCCC3)C2)C1 ZINC000645102966 386721552 /nfs/dbraw/zinc/72/15/52/386721552.db2.gz TVMZWXIAOUIKNQ-GFCCVEGCSA-N 1 0 241.325 3.606 20 0 BHADRO FC1(F)CC2(C[NH+]([C@H]3C=CCCCCC3)C2)C1 ZINC000645102967 386721231 /nfs/dbraw/zinc/72/12/31/386721231.db2.gz TVMZWXIAOUIKNQ-LBPRGKRZSA-N 1 0 241.325 3.606 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](C(F)F)C1)C1CCCCC1 ZINC000645103199 386724304 /nfs/dbraw/zinc/72/43/04/386724304.db2.gz WBJQAXKZAHUTJO-AAEUAGOBSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](C(F)F)C1)C1CCCCC1 ZINC000645103203 386725049 /nfs/dbraw/zinc/72/50/49/386725049.db2.gz WBJQAXKZAHUTJO-DGCLKSJQSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](C(F)F)C1)C1CCCCC1 ZINC000645103204 386723446 /nfs/dbraw/zinc/72/34/46/386723446.db2.gz WBJQAXKZAHUTJO-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](C(F)F)C1)C1CCCCC1 ZINC000645103207 386723908 /nfs/dbraw/zinc/72/39/08/386723908.db2.gz WBJQAXKZAHUTJO-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO CCc1nc(C(C)C)ccc1C[N@H+]1CC=CCC1 ZINC000645112258 386730841 /nfs/dbraw/zinc/73/08/41/386730841.db2.gz CJKPFIKWOVXZAC-UHFFFAOYSA-N 1 0 244.382 3.529 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C[C@H]1F ZINC000645112345 386730487 /nfs/dbraw/zinc/73/04/87/386730487.db2.gz LMTMIIVAYAXGKA-HZSPNIEDSA-N 1 0 225.351 3.555 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C[C@@H]1F ZINC000645112365 386729150 /nfs/dbraw/zinc/72/91/50/386729150.db2.gz LMTMIIVAYAXGKA-MCIONIFRSA-N 1 0 225.351 3.555 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C[C@H]1F ZINC000645112366 386728852 /nfs/dbraw/zinc/72/88/52/386728852.db2.gz LMTMIIVAYAXGKA-MGPQQGTHSA-N 1 0 225.351 3.555 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C[C@@H]1F ZINC000645112368 386730036 /nfs/dbraw/zinc/73/00/36/386730036.db2.gz LMTMIIVAYAXGKA-RDBSUJKOSA-N 1 0 225.351 3.555 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000645116045 386730455 /nfs/dbraw/zinc/73/04/55/386730455.db2.gz CMHAZPMNMGSTLH-CABCVRRESA-N 1 0 244.382 3.930 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000645116046 386729299 /nfs/dbraw/zinc/72/92/99/386729299.db2.gz CMHAZPMNMGSTLH-GJZGRUSLSA-N 1 0 244.382 3.930 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000645116047 386729586 /nfs/dbraw/zinc/72/95/86/386729586.db2.gz CMHAZPMNMGSTLH-HUUCEWRRSA-N 1 0 244.382 3.930 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000645116048 386730201 /nfs/dbraw/zinc/73/02/01/386730201.db2.gz CMHAZPMNMGSTLH-LSDHHAIUSA-N 1 0 244.382 3.930 20 0 BHADRO CCn1ccc(C[N@H+](C)[C@H]2C=CCCCCC2)c1 ZINC000645129590 386736954 /nfs/dbraw/zinc/73/69/54/386736954.db2.gz ZQDZHPAYNFRXKW-INIZCTEOSA-N 1 0 246.398 3.829 20 0 BHADRO CCn1ccc(C[N@H+](C)[C@@H]2C=CCCCCC2)c1 ZINC000645129591 386738185 /nfs/dbraw/zinc/73/81/85/386738185.db2.gz ZQDZHPAYNFRXKW-MRXNPFEDSA-N 1 0 246.398 3.829 20 0 BHADRO C[C@H](C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000645134758 386741922 /nfs/dbraw/zinc/74/19/22/386741922.db2.gz HFGUOMCQGXDONW-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@@H](C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000645134759 386741498 /nfs/dbraw/zinc/74/14/98/386741498.db2.gz HFGUOMCQGXDONW-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO FC1(F)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000645134866 386741379 /nfs/dbraw/zinc/74/13/79/386741379.db2.gz XSMLHSRYCWNMTK-GFCCVEGCSA-N 1 0 229.314 3.606 20 0 BHADRO FC1(F)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000645134867 386741517 /nfs/dbraw/zinc/74/15/17/386741517.db2.gz XSMLHSRYCWNMTK-LBPRGKRZSA-N 1 0 229.314 3.606 20 0 BHADRO Cc1occc1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000645150466 386755731 /nfs/dbraw/zinc/75/57/31/386755731.db2.gz KOBOGUCTVWWRBI-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO C1=CCC([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000645162168 386812133 /nfs/dbraw/zinc/81/21/33/386812133.db2.gz KQANVGSFPGCIPG-UHFFFAOYSA-N 1 0 227.351 3.762 20 0 BHADRO Cc1sccc1C[NH2+][C@H](C)c1cnccc1C ZINC000645171310 386837710 /nfs/dbraw/zinc/83/77/10/386837710.db2.gz HDWHFYLRJOVCDD-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1sccc1C[NH2+][C@@H](C)c1cnccc1C ZINC000645171311 386837799 /nfs/dbraw/zinc/83/77/99/386837799.db2.gz HDWHFYLRJOVCDD-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)(C)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000645184006 386847100 /nfs/dbraw/zinc/84/71/00/386847100.db2.gz BSGQWHBRFIJCRJ-UHFFFAOYSA-N 1 0 241.325 3.934 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000645203608 385640311 /nfs/dbraw/zinc/64/03/11/385640311.db2.gz IHXRMKHDYRKNLK-JTQLQIEISA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000645203609 385638641 /nfs/dbraw/zinc/63/86/41/385638641.db2.gz IHXRMKHDYRKNLK-SNVBAGLBSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)[C@@H]1C ZINC000645215810 385677224 /nfs/dbraw/zinc/67/72/24/385677224.db2.gz LYZZLKLROHTRCL-NXEZZACHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)[C@H]1C ZINC000645215811 385677134 /nfs/dbraw/zinc/67/71/34/385677134.db2.gz LYZZLKLROHTRCL-UWVGGRQHSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000645215812 385677700 /nfs/dbraw/zinc/67/77/00/385677700.db2.gz LYZZLKLROHTRCL-VHSXEESVSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)[C@H]1C ZINC000645215813 385677804 /nfs/dbraw/zinc/67/78/04/385677804.db2.gz LYZZLKLROHTRCL-ZJUUUORDSA-N 1 0 243.272 3.546 20 0 BHADRO C[C@@H]1C[NH+]([C@H]2CCc3c2cccc3Cl)[C@H]1C ZINC000645217124 398187836 /nfs/dbraw/zinc/18/78/36/398187836.db2.gz VITCEPVUMNUSPB-BFVZDQMLSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)[C@@H]1C ZINC000645217126 385677768 /nfs/dbraw/zinc/67/77/68/385677768.db2.gz VITCEPVUMNUSPB-GPCCPHFNSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)[C@H]1C ZINC000645217127 385677859 /nfs/dbraw/zinc/67/78/59/385677859.db2.gz VITCEPVUMNUSPB-ISTVAULSSA-N 1 0 235.758 3.668 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)[C@@H]1C ZINC000645217129 385677026 /nfs/dbraw/zinc/67/70/26/385677026.db2.gz VITCEPVUMNUSPB-RULNRJAQSA-N 1 0 235.758 3.668 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000645219627 385686349 /nfs/dbraw/zinc/68/63/49/385686349.db2.gz FQAQKJCZFKFEIQ-NEPJUHHUSA-N 1 0 243.272 3.604 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)CC1(C)COC1 ZINC000645236417 385696181 /nfs/dbraw/zinc/69/61/81/385696181.db2.gz SXSCXQKBLVKYNI-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)CC1(C)COC1 ZINC000645236419 385695699 /nfs/dbraw/zinc/69/56/99/385695699.db2.gz SXSCXQKBLVKYNI-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000645243109 385726458 /nfs/dbraw/zinc/72/64/58/385726458.db2.gz YHHDGBXBKKZOSP-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000645243110 385726052 /nfs/dbraw/zinc/72/60/52/385726052.db2.gz YHHDGBXBKKZOSP-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@@H]2CCC[C@@H]21 ZINC000645248747 398202725 /nfs/dbraw/zinc/20/27/25/398202725.db2.gz PQHPNBVBTNQWBP-HZSPNIEDSA-N 1 0 219.372 3.606 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@H]2CCC[C@H]21 ZINC000645248748 398202247 /nfs/dbraw/zinc/20/22/47/398202247.db2.gz PQHPNBVBTNQWBP-MCIONIFRSA-N 1 0 219.372 3.606 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@@H]2CCC[C@H]21 ZINC000645248749 398202558 /nfs/dbraw/zinc/20/25/58/398202558.db2.gz PQHPNBVBTNQWBP-MGPQQGTHSA-N 1 0 219.372 3.606 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@H]2CCC[C@@H]21 ZINC000645248750 398202691 /nfs/dbraw/zinc/20/26/91/398202691.db2.gz PQHPNBVBTNQWBP-RDBSUJKOSA-N 1 0 219.372 3.606 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(F)c2ccccc21 ZINC000645380552 387074648 /nfs/dbraw/zinc/07/46/48/387074648.db2.gz HENHSHKGDQJXQU-JTQLQIEISA-N 1 0 229.298 3.792 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(F)c2ccccc21 ZINC000645380553 387075262 /nfs/dbraw/zinc/07/52/62/387075262.db2.gz HENHSHKGDQJXQU-SNVBAGLBSA-N 1 0 229.298 3.792 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000645395101 386273132 /nfs/dbraw/zinc/27/31/32/386273132.db2.gz CNLHGFYGKIMCKU-AWEZNQCLSA-N 1 0 233.355 3.791 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000645395102 386272932 /nfs/dbraw/zinc/27/29/32/386272932.db2.gz CNLHGFYGKIMCKU-CQSZACIVSA-N 1 0 233.355 3.791 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000645399004 386401014 /nfs/dbraw/zinc/40/10/14/386401014.db2.gz WJLWEONDTZTQQE-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000645399009 386399832 /nfs/dbraw/zinc/39/98/32/386399832.db2.gz WJLWEONDTZTQQE-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000645399010 386400712 /nfs/dbraw/zinc/40/07/12/386400712.db2.gz WJLWEONDTZTQQE-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000645399011 386400078 /nfs/dbraw/zinc/40/00/78/386400078.db2.gz WJLWEONDTZTQQE-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000645411202 386514235 /nfs/dbraw/zinc/51/42/35/386514235.db2.gz VVHWDSGULAHFOG-KBPBESRZSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000645411203 386515284 /nfs/dbraw/zinc/51/52/84/386515284.db2.gz VVHWDSGULAHFOG-KGLIPLIRSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000645411204 386518091 /nfs/dbraw/zinc/51/80/91/386518091.db2.gz VVHWDSGULAHFOG-UONOGXRCSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000645411205 386518376 /nfs/dbraw/zinc/51/83/76/386518376.db2.gz VVHWDSGULAHFOG-ZIAGYGMSSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000645412451 386520470 /nfs/dbraw/zinc/52/04/70/386520470.db2.gz IKPIXZTUHKWLCK-KBPBESRZSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000645412452 386519209 /nfs/dbraw/zinc/51/92/09/386519209.db2.gz IKPIXZTUHKWLCK-KGLIPLIRSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000645412453 386520621 /nfs/dbraw/zinc/52/06/21/386520621.db2.gz IKPIXZTUHKWLCK-UONOGXRCSA-N 1 0 249.398 3.502 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000645412454 386519021 /nfs/dbraw/zinc/51/90/21/386519021.db2.gz IKPIXZTUHKWLCK-ZIAGYGMSSA-N 1 0 249.398 3.502 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cccc(C2CC2)c1 ZINC000645417522 386587577 /nfs/dbraw/zinc/58/75/77/386587577.db2.gz FFMIHLQZXQBFMW-GFCCVEGCSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cccc(C2CC2)c1 ZINC000645417525 386586161 /nfs/dbraw/zinc/58/61/61/386586161.db2.gz FFMIHLQZXQBFMW-LBPRGKRZSA-N 1 0 227.351 3.933 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000645417575 386587700 /nfs/dbraw/zinc/58/77/00/386587700.db2.gz LZAABDWGNVVPJX-CYBMUJFWSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000645417576 386586528 /nfs/dbraw/zinc/58/65/28/386586528.db2.gz LZAABDWGNVVPJX-ZDUSSCGKSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000645452305 386785589 /nfs/dbraw/zinc/78/55/89/386785589.db2.gz PPTNOOQCZAZQHS-CYBMUJFWSA-N 1 0 249.398 3.713 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000645452306 386784405 /nfs/dbraw/zinc/78/44/05/386784405.db2.gz PPTNOOQCZAZQHS-ZDUSSCGKSA-N 1 0 249.398 3.713 20 0 BHADRO CCC(CC)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000645474378 386983035 /nfs/dbraw/zinc/98/30/35/386983035.db2.gz OBJLRYOYVHXVKW-NNUKFRKNSA-N 1 0 235.346 3.850 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000645479036 387028891 /nfs/dbraw/zinc/02/88/91/387028891.db2.gz NVVQSHNFMBPTMD-LLVKDONJSA-N 1 0 241.325 3.932 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000645479042 387028810 /nfs/dbraw/zinc/02/88/10/387028810.db2.gz NVVQSHNFMBPTMD-NSHDSACASA-N 1 0 241.325 3.932 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000645490620 386560215 /nfs/dbraw/zinc/56/02/15/386560215.db2.gz KPMSAIHFKJWRKZ-HUBLWGQQSA-N 1 0 235.346 3.648 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000645490621 386559381 /nfs/dbraw/zinc/55/93/81/386559381.db2.gz KPMSAIHFKJWRKZ-SLEUVZQESA-N 1 0 235.346 3.648 20 0 BHADRO C[C@H](F)CC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000645490622 386560360 /nfs/dbraw/zinc/56/03/60/386560360.db2.gz KPMSAIHFKJWRKZ-TYNCELHUSA-N 1 0 235.346 3.648 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000645490623 386560745 /nfs/dbraw/zinc/56/07/45/386560745.db2.gz KPMSAIHFKJWRKZ-XUJVJEKNSA-N 1 0 235.346 3.648 20 0 BHADRO CC(C)C1([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000645493594 386730793 /nfs/dbraw/zinc/73/07/93/386730793.db2.gz BSRGQPZJZZBRRJ-AWEZNQCLSA-N 1 0 249.785 3.585 20 0 BHADRO CC(C)C1([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000645493595 386732228 /nfs/dbraw/zinc/73/22/28/386732228.db2.gz BSRGQPZJZZBRRJ-CQSZACIVSA-N 1 0 249.785 3.585 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C1(C(C)C)CC1 ZINC000645493598 386733143 /nfs/dbraw/zinc/73/31/43/386733143.db2.gz DLIXJXANQUTOCX-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C1(C(C)C)CC1 ZINC000645493601 386730696 /nfs/dbraw/zinc/73/06/96/386730696.db2.gz DLIXJXANQUTOCX-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO CC(C)C1([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000645493614 386728536 /nfs/dbraw/zinc/72/85/36/386728536.db2.gz JSDOWABROYCXJE-LLVKDONJSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000645493615 386726410 /nfs/dbraw/zinc/72/64/10/386726410.db2.gz JSDOWABROYCXJE-NSHDSACASA-N 1 0 245.357 3.979 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000645494360 386773114 /nfs/dbraw/zinc/77/31/14/386773114.db2.gz AANOOGCMXYFPJR-GFCCVEGCSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000645494361 386773455 /nfs/dbraw/zinc/77/34/55/386773455.db2.gz AANOOGCMXYFPJR-LBPRGKRZSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c(C)n1 ZINC000645494379 386773571 /nfs/dbraw/zinc/77/35/71/386773571.db2.gz WBHCIJSTESWJIC-CYBMUJFWSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C(C)C)CC2)c(C)n1 ZINC000645494380 386774312 /nfs/dbraw/zinc/77/43/12/386774312.db2.gz WBHCIJSTESWJIC-ZDUSSCGKSA-N 1 0 232.371 3.538 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000645495796 386798701 /nfs/dbraw/zinc/79/87/01/386798701.db2.gz FOBCTRKGPCXBOU-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000645495798 386799675 /nfs/dbraw/zinc/79/96/75/386799675.db2.gz FOBCTRKGPCXBOU-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000645496905 386805954 /nfs/dbraw/zinc/80/59/54/386805954.db2.gz WZMLUYSHOSKSKR-JQFCIGGWSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(C)(C)O ZINC000645499913 386821138 /nfs/dbraw/zinc/82/11/38/386821138.db2.gz GFOXJSVNHLPBFU-DZGCQCFKSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1C)C(C)(C)O ZINC000645499914 386821040 /nfs/dbraw/zinc/82/10/40/386821040.db2.gz GFOXJSVNHLPBFU-HIFRSBDPSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1C)C(C)(C)O ZINC000645499915 386823223 /nfs/dbraw/zinc/82/32/23/386823223.db2.gz GFOXJSVNHLPBFU-UKRRQHHQSA-N 1 0 249.398 3.504 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(C)(C)O ZINC000645499916 386821203 /nfs/dbraw/zinc/82/12/03/386821203.db2.gz GFOXJSVNHLPBFU-ZFWWWQNUSA-N 1 0 249.398 3.504 20 0 BHADRO CC[N@@H+](Cc1cccs1)CC1=CCCC1 ZINC000645768696 387890967 /nfs/dbraw/zinc/89/09/67/387890967.db2.gz WYLGLEWRFPIIKF-UHFFFAOYSA-N 1 0 221.369 3.680 20 0 BHADRO C[N@H+](CC1=CCCC1)Cc1ccc(F)c(F)c1 ZINC000645775769 387898221 /nfs/dbraw/zinc/89/82/21/387898221.db2.gz JVWHXRBTVJQOSA-UHFFFAOYSA-N 1 0 237.293 3.507 20 0 BHADRO CCCCC[N@H+](CCC[C@H]1CCOC1)C(C)C ZINC000645775826 387899139 /nfs/dbraw/zinc/89/91/39/387899139.db2.gz UDJOXXUZQYRCJP-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCCC[N@H+](CCC[C@@H]1CCOC1)C(C)C ZINC000645775827 387899032 /nfs/dbraw/zinc/89/90/32/387899032.db2.gz UDJOXXUZQYRCJP-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CCC(CC)C[N@H+](CC)CCC[C@H]1CCOC1 ZINC000645775909 387899101 /nfs/dbraw/zinc/89/91/01/387899101.db2.gz DTIHNPGMLTTZIL-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)C[N@H+](CC)CCC[C@@H]1CCOC1 ZINC000645775910 387900011 /nfs/dbraw/zinc/90/00/11/387900011.db2.gz DTIHNPGMLTTZIL-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)CC1=CCCC1 ZINC000645777685 387902344 /nfs/dbraw/zinc/90/23/44/387902344.db2.gz HCQSPDNVADOMMB-LLVKDONJSA-N 1 0 221.369 3.851 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)CC1=CCCC1 ZINC000645777692 387902436 /nfs/dbraw/zinc/90/24/36/387902436.db2.gz HCQSPDNVADOMMB-NSHDSACASA-N 1 0 221.369 3.851 20 0 BHADRO CC(C)[N@@H+](Cc1ccco1)CC1=CCCC1 ZINC000645782582 387906420 /nfs/dbraw/zinc/90/64/20/387906420.db2.gz ZSWURYKDGKCNLW-UHFFFAOYSA-N 1 0 219.328 3.600 20 0 BHADRO C1=C(C[NH+]2CCC(OC3CCCC3)CC2)CCC1 ZINC000645787423 387912707 /nfs/dbraw/zinc/91/27/07/387912707.db2.gz URLVBIPWCHBHOZ-UHFFFAOYSA-N 1 0 249.398 3.520 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2=CCCC2)s1 ZINC000645791548 387915487 /nfs/dbraw/zinc/91/54/87/387915487.db2.gz NYWNTDCYLNUSDH-UHFFFAOYSA-N 1 0 221.369 3.599 20 0 BHADRO C1=C(C[N@H+](C2CC2)C2CCCC2)CCC1 ZINC000645801050 387938902 /nfs/dbraw/zinc/93/89/02/387938902.db2.gz HYDQZMATKGRWNV-UHFFFAOYSA-N 1 0 205.345 3.504 20 0 BHADRO Cc1cnc(CC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000645801240 387939871 /nfs/dbraw/zinc/93/98/71/387939871.db2.gz QTJQCXQYYWCNIU-GJZGRUSLSA-N 1 0 246.398 3.504 20 0 BHADRO Cc1cnc(CC[NH+]2[C@H](C)CCC[C@H]2C)c(C)c1 ZINC000645801241 387939237 /nfs/dbraw/zinc/93/92/37/387939237.db2.gz QTJQCXQYYWCNIU-HUUCEWRRSA-N 1 0 246.398 3.504 20 0 BHADRO Cc1cnc(CC[N@H+]2CCCCC[C@@H]2C)c(C)c1 ZINC000645803226 387943963 /nfs/dbraw/zinc/94/39/63/387943963.db2.gz IBMPXTDBZRMMHX-HNNXBMFYSA-N 1 0 246.398 3.505 20 0 BHADRO Cc1cnc(CC[N@H+]2CCCCC[C@H]2C)c(C)c1 ZINC000645803227 387943272 /nfs/dbraw/zinc/94/32/72/387943272.db2.gz IBMPXTDBZRMMHX-OAHLLOKOSA-N 1 0 246.398 3.505 20 0 BHADRO C1=C(C[NH+]2C3CCCC2CCC3)CCC1 ZINC000645808599 387960737 /nfs/dbraw/zinc/96/07/37/387960737.db2.gz ZLQUMZSQVQZZDB-UHFFFAOYSA-N 1 0 205.345 3.504 20 0 BHADRO C1=C(C[N@@H+]2CC[C@H]2c2ccccc2)CCC1 ZINC000645812175 387973867 /nfs/dbraw/zinc/97/38/67/387973867.db2.gz RDORGJWZOKQSSZ-HNNXBMFYSA-N 1 0 213.324 3.544 20 0 BHADRO C1=C(C[N@@H+]2CC[C@@H]2c2ccccc2)CCC1 ZINC000645812176 387974284 /nfs/dbraw/zinc/97/42/84/387974284.db2.gz RDORGJWZOKQSSZ-OAHLLOKOSA-N 1 0 213.324 3.544 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]2CC2=CCCC2)c1 ZINC000645812181 387974976 /nfs/dbraw/zinc/97/49/76/387974976.db2.gz RUXZWDSKZXMCQH-HNNXBMFYSA-N 1 0 231.314 3.683 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]2CC2=CCCC2)c1 ZINC000645812182 387974737 /nfs/dbraw/zinc/97/47/37/387974737.db2.gz RUXZWDSKZXMCQH-OAHLLOKOSA-N 1 0 231.314 3.683 20 0 BHADRO CC[N@H+](CC1=CCCC1)[C@H](C)c1cccc(O)c1 ZINC000645812266 387976135 /nfs/dbraw/zinc/97/61/35/387976135.db2.gz WMEVCISKKRDHSO-CYBMUJFWSA-N 1 0 245.366 3.885 20 0 BHADRO CC[N@H+](CC1=CCCC1)[C@@H](C)c1cccc(O)c1 ZINC000645812267 387976332 /nfs/dbraw/zinc/97/63/32/387976332.db2.gz WMEVCISKKRDHSO-ZDUSSCGKSA-N 1 0 245.366 3.885 20 0 BHADRO FC(F)(F)CC[N@@H+](CC1=CCCC1)CC1CC1 ZINC000645813624 397924619 /nfs/dbraw/zinc/92/46/19/397924619.db2.gz JBBMRMQYSQRVIL-UHFFFAOYSA-N 1 0 247.304 3.761 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2=CCCC2)n1 ZINC000645815962 387995958 /nfs/dbraw/zinc/99/59/58/387995958.db2.gz FPRHFIHZSBWVEG-INIZCTEOSA-N 1 0 242.366 3.637 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2=CCCC2)n1 ZINC000645815963 387996100 /nfs/dbraw/zinc/99/61/00/387996100.db2.gz FPRHFIHZSBWVEG-MRXNPFEDSA-N 1 0 242.366 3.637 20 0 BHADRO Oc1ccc([C@@H]2CCC[N@@H+]2CC2=CCCC2)cc1 ZINC000645820676 388011310 /nfs/dbraw/zinc/01/13/10/388011310.db2.gz PQFOCOPVAAZOPF-INIZCTEOSA-N 1 0 243.350 3.639 20 0 BHADRO Oc1ccc([C@H]2CCC[N@@H+]2CC2=CCCC2)cc1 ZINC000645820677 388010661 /nfs/dbraw/zinc/01/06/61/388010661.db2.gz PQFOCOPVAAZOPF-MRXNPFEDSA-N 1 0 243.350 3.639 20 0 BHADRO COc1ccccc1C(C)(C)[NH2+]CC1=CCCC1 ZINC000645827176 388029894 /nfs/dbraw/zinc/02/98/94/388029894.db2.gz FRVBQVBNZRGGPV-UHFFFAOYSA-N 1 0 245.366 3.630 20 0 BHADRO Fc1ccc(C2([NH2+]CC3=CCCC3)CC2)cc1 ZINC000645827360 388033836 /nfs/dbraw/zinc/03/38/36/388033836.db2.gz HOZWWXLLEQHLMO-UHFFFAOYSA-N 1 0 231.314 3.515 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]CC1=CCCC1)C(C)C ZINC000645828550 388037187 /nfs/dbraw/zinc/03/71/87/388037187.db2.gz WZSKQQGAPUUFTD-HNNXBMFYSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]CC1=CCCC1)C(C)C ZINC000645828551 388036528 /nfs/dbraw/zinc/03/65/28/388036528.db2.gz WZSKQQGAPUUFTD-OAHLLOKOSA-N 1 0 244.382 3.787 20 0 BHADRO c1csc(C2([NH2+]CC3=CCCC3)CCCC2)n1 ZINC000645832999 387690461 /nfs/dbraw/zinc/69/04/61/387690461.db2.gz WUAXHAJARYNECH-UHFFFAOYSA-N 1 0 248.395 3.612 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CC1=CCCC1)C1CC1 ZINC000645834379 387709669 /nfs/dbraw/zinc/70/96/69/387709669.db2.gz LTNKXWGQSFHIAC-GFCCVEGCSA-N 1 0 231.339 3.915 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CC1=CCCC1)C1CC1 ZINC000645834380 387713347 /nfs/dbraw/zinc/71/33/47/387713347.db2.gz LTNKXWGQSFHIAC-LBPRGKRZSA-N 1 0 231.339 3.915 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CC1=CCCC1 ZINC000645842357 387797609 /nfs/dbraw/zinc/79/76/09/387797609.db2.gz JTZDZQDDGSDUCC-HNNXBMFYSA-N 1 0 230.355 3.575 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CC1=CCCC1 ZINC000645842358 387797340 /nfs/dbraw/zinc/79/73/40/387797340.db2.gz JTZDZQDDGSDUCC-OAHLLOKOSA-N 1 0 230.355 3.575 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2=CCCC2)cc1F ZINC000645845904 387846978 /nfs/dbraw/zinc/84/69/78/387846978.db2.gz IRZZSHXHFNIPNR-LLVKDONJSA-N 1 0 249.329 3.595 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2=CCCC2)cc1F ZINC000645845905 387845287 /nfs/dbraw/zinc/84/52/87/387845287.db2.gz IRZZSHXHFNIPNR-NSHDSACASA-N 1 0 249.329 3.595 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(F)c(F)c1 ZINC000645846181 387848821 /nfs/dbraw/zinc/84/88/21/387848821.db2.gz RQJNJGSFEJHXFG-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(F)c(F)c1 ZINC000645846182 387848800 /nfs/dbraw/zinc/84/88/00/387848800.db2.gz RQJNJGSFEJHXFG-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1F ZINC000645846379 387851478 /nfs/dbraw/zinc/85/14/78/387851478.db2.gz XMVVZRJFMUMBGY-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1F ZINC000645846380 387851695 /nfs/dbraw/zinc/85/16/95/387851695.db2.gz XMVVZRJFMUMBGY-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO c1csc([C@@H]([NH2+]CC2=CCCC2)C2CC2)c1 ZINC000645846454 387851352 /nfs/dbraw/zinc/85/13/52/387851352.db2.gz ZNEAWVVFSVLRGN-AWEZNQCLSA-N 1 0 233.380 3.899 20 0 BHADRO c1csc([C@H]([NH2+]CC2=CCCC2)C2CC2)c1 ZINC000645846455 387850916 /nfs/dbraw/zinc/85/09/16/387850916.db2.gz ZNEAWVVFSVLRGN-CQSZACIVSA-N 1 0 233.380 3.899 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cc(F)ccc1F ZINC000645846545 387853584 /nfs/dbraw/zinc/85/35/84/387853584.db2.gz DHMNGJUMEUSNAT-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cc(F)ccc1F ZINC000645846546 387853334 /nfs/dbraw/zinc/85/33/34/387853334.db2.gz DHMNGJUMEUSNAT-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CC1=CCCC1 ZINC000645846911 387855431 /nfs/dbraw/zinc/85/54/31/387855431.db2.gz LQGTYZDPASZPTI-LLVKDONJSA-N 1 0 249.329 3.595 20 0 BHADRO COc1ccc(F)cc1[C@H](C)[NH2+]CC1=CCCC1 ZINC000645846912 387854977 /nfs/dbraw/zinc/85/49/77/387854977.db2.gz LQGTYZDPASZPTI-NSHDSACASA-N 1 0 249.329 3.595 20 0 BHADRO Fc1cccc(C2([NH2+]CC3=CCCC3)CC2)c1 ZINC000645847261 387854890 /nfs/dbraw/zinc/85/48/90/387854890.db2.gz ZPPOFOUMDNJGIZ-UHFFFAOYSA-N 1 0 231.314 3.515 20 0 BHADRO COc1cccc(F)c1[C@@H](C)[NH2+]CC1=CCCC1 ZINC000645847433 387853530 /nfs/dbraw/zinc/85/35/30/387853530.db2.gz RPTBDRACKRZRMY-LLVKDONJSA-N 1 0 249.329 3.595 20 0 BHADRO COc1cccc(F)c1[C@H](C)[NH2+]CC1=CCCC1 ZINC000645847434 387852920 /nfs/dbraw/zinc/85/29/20/387852920.db2.gz RPTBDRACKRZRMY-NSHDSACASA-N 1 0 249.329 3.595 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cccc(F)c1F ZINC000645847646 387857269 /nfs/dbraw/zinc/85/72/69/387857269.db2.gz NZZDLKZIPHEDBT-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cccc(F)c1F ZINC000645847647 387857321 /nfs/dbraw/zinc/85/73/21/387857321.db2.gz NZZDLKZIPHEDBT-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO Cc1cnc(CC[NH2+]C(C(C)C)C(C)C)c(C)c1 ZINC000645847653 387856689 /nfs/dbraw/zinc/85/66/89/387856689.db2.gz OQBZAYKNPBTAIX-UHFFFAOYSA-N 1 0 248.414 3.511 20 0 BHADRO Cc1csc([C@H]([NH2+]CC2=CCCC2)C2CC2)n1 ZINC000645847714 387856803 /nfs/dbraw/zinc/85/68/03/387856803.db2.gz WXMOBYVJMLZMPQ-CYBMUJFWSA-N 1 0 248.395 3.603 20 0 BHADRO Cc1csc([C@@H]([NH2+]CC2=CCCC2)C2CC2)n1 ZINC000645847715 387856697 /nfs/dbraw/zinc/85/66/97/387856697.db2.gz WXMOBYVJMLZMPQ-ZDUSSCGKSA-N 1 0 248.395 3.603 20 0 BHADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645849289 387860358 /nfs/dbraw/zinc/86/03/58/387860358.db2.gz DJHPHRNUVPLLLL-CMPLNLGQSA-N 1 0 247.304 3.760 20 0 BHADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645849290 387861446 /nfs/dbraw/zinc/86/14/46/387861446.db2.gz DJHPHRNUVPLLLL-JQWIXIFHSA-N 1 0 247.304 3.760 20 0 BHADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645849291 387861403 /nfs/dbraw/zinc/86/14/03/387861403.db2.gz DJHPHRNUVPLLLL-PWSUYJOCSA-N 1 0 247.304 3.760 20 0 BHADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645849292 387860861 /nfs/dbraw/zinc/86/08/61/387860861.db2.gz DJHPHRNUVPLLLL-ZYHUDNBSSA-N 1 0 247.304 3.760 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1=CCCC1)c1ccccn1 ZINC000645853016 387870257 /nfs/dbraw/zinc/87/02/57/387870257.db2.gz LHLOKQPTKJCXJI-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1=CCCC1)c1ccccn1 ZINC000645853017 387870730 /nfs/dbraw/zinc/87/07/30/387870730.db2.gz LHLOKQPTKJCXJI-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCC1)c1nc(C)cs1 ZINC000645853488 387870271 /nfs/dbraw/zinc/87/02/71/387870271.db2.gz STMOPLRGSTWXHL-GFCCVEGCSA-N 1 0 236.384 3.603 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCC1)c1nc(C)cs1 ZINC000645853489 387870517 /nfs/dbraw/zinc/87/05/17/387870517.db2.gz STMOPLRGSTWXHL-LBPRGKRZSA-N 1 0 236.384 3.603 20 0 BHADRO Cc1cnc([C@H]([NH2+]CC2=CCCC2)C2CC2)s1 ZINC000645853985 387871328 /nfs/dbraw/zinc/87/13/28/387871328.db2.gz PEXOSIBJRZIXJH-CYBMUJFWSA-N 1 0 248.395 3.603 20 0 BHADRO Cc1cnc([C@@H]([NH2+]CC2=CCCC2)C2CC2)s1 ZINC000645853986 387870915 /nfs/dbraw/zinc/87/09/15/387870915.db2.gz PEXOSIBJRZIXJH-ZDUSSCGKSA-N 1 0 248.395 3.603 20 0 BHADRO Cc1csc(C2([NH2+]CC3=CCCC3)CCC2)n1 ZINC000645855000 387873102 /nfs/dbraw/zinc/87/31/02/387873102.db2.gz FSUPXCPYWUIHQT-UHFFFAOYSA-N 1 0 248.395 3.531 20 0 BHADRO CC(C)([NH2+]CC1=CCCC1)c1cccs1 ZINC000645855768 387873969 /nfs/dbraw/zinc/87/39/69/387873969.db2.gz SIIYMQWGKHXVHC-UHFFFAOYSA-N 1 0 221.369 3.683 20 0 BHADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2=CCCC2)C1 ZINC000645857693 387877517 /nfs/dbraw/zinc/87/75/17/387877517.db2.gz SZWPJLLYVXIJSK-BBRMVZONSA-N 1 0 242.366 3.575 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2=CCCC2)C1 ZINC000645857694 387878088 /nfs/dbraw/zinc/87/80/88/387878088.db2.gz SZWPJLLYVXIJSK-CJNGLKHVSA-N 1 0 242.366 3.575 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2=CCCC2)C1 ZINC000645857695 387877835 /nfs/dbraw/zinc/87/78/35/387877835.db2.gz SZWPJLLYVXIJSK-CZUORRHYSA-N 1 0 242.366 3.575 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2=CCCC2)C1 ZINC000645857696 387877542 /nfs/dbraw/zinc/87/75/42/387877542.db2.gz SZWPJLLYVXIJSK-XJKSGUPXSA-N 1 0 242.366 3.575 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2CC2=CCCC2)cs1 ZINC000645861311 387882581 /nfs/dbraw/zinc/88/25/81/387882581.db2.gz YQJWXDPILQDYEW-CQSZACIVSA-N 1 0 248.395 3.699 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000645881818 387966212 /nfs/dbraw/zinc/96/62/12/387966212.db2.gz QVEJBZKPLREUQP-LLVKDONJSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000645881819 387966990 /nfs/dbraw/zinc/96/69/90/387966990.db2.gz QVEJBZKPLREUQP-NSHDSACASA-N 1 0 235.293 3.663 20 0 BHADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC1=CCCC1 ZINC000645886617 387982459 /nfs/dbraw/zinc/98/24/59/387982459.db2.gz YJSISTAUJXNLOU-LLVKDONJSA-N 1 0 247.304 3.760 20 0 BHADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC1=CCCC1 ZINC000645886618 387981726 /nfs/dbraw/zinc/98/17/26/387981726.db2.gz YJSISTAUJXNLOU-NSHDSACASA-N 1 0 247.304 3.760 20 0 BHADRO Cc1cnc(CC[N@@H+](C)C2(C)CCCC2)c(C)c1 ZINC000645894279 388039002 /nfs/dbraw/zinc/03/90/02/388039002.db2.gz KTAFXGRSWWBDGV-UHFFFAOYSA-N 1 0 246.398 3.505 20 0 BHADRO Clc1ccc2c(c1)C[C@@H]([NH2+]CC1=CCCC1)C2 ZINC000645897663 388061018 /nfs/dbraw/zinc/06/10/18/388061018.db2.gz HOACJECFLDTOQY-HNNXBMFYSA-N 1 0 247.769 3.507 20 0 BHADRO Clc1ccc2c(c1)C[C@H]([NH2+]CC1=CCCC1)C2 ZINC000645897664 388061263 /nfs/dbraw/zinc/06/12/63/388061263.db2.gz HOACJECFLDTOQY-OAHLLOKOSA-N 1 0 247.769 3.507 20 0 BHADRO FC(F)(F)CC1CC[NH+](CC2=CCCC2)CC1 ZINC000645899127 388078171 /nfs/dbraw/zinc/07/81/71/388078171.db2.gz BOGRLHQWGWKYKI-UHFFFAOYSA-N 1 0 247.304 3.761 20 0 BHADRO C[N@H+](CC1=CCCC1)C1CCC(F)(F)CC1 ZINC000645916339 388252881 /nfs/dbraw/zinc/25/28/81/388252881.db2.gz RYXPYFWUXOAZPS-UHFFFAOYSA-N 1 0 229.314 3.606 20 0 BHADRO C1=C(C[NH+](C2CCC2)C2CCC2)CCC1 ZINC000645922448 387776486 /nfs/dbraw/zinc/77/64/86/387776486.db2.gz XQTAGPNMZRMNKK-UHFFFAOYSA-N 1 0 205.345 3.504 20 0 BHADRO c1coc([C@@H]2[N@H+](CC3=CCCC3)CC23CCC3)c1 ZINC000645925653 388102167 /nfs/dbraw/zinc/10/21/67/388102167.db2.gz IUNIXFDGMYOFMY-HNNXBMFYSA-N 1 0 243.350 3.917 20 0 BHADRO c1coc([C@H]2[N@H+](CC3=CCCC3)CC23CCC3)c1 ZINC000645925654 388102833 /nfs/dbraw/zinc/10/28/33/388102833.db2.gz IUNIXFDGMYOFMY-OAHLLOKOSA-N 1 0 243.350 3.917 20 0 BHADRO CC[N@H+](CC1=CCCC1)Cc1occc1C ZINC000645928425 388166203 /nfs/dbraw/zinc/16/62/03/388166203.db2.gz CFXJQCVDORSKBS-UHFFFAOYSA-N 1 0 219.328 3.520 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000645928738 388167511 /nfs/dbraw/zinc/16/75/11/388167511.db2.gz FZNMWGHEHFXMFQ-GFCCVEGCSA-N 1 0 247.304 3.761 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000645928739 388167324 /nfs/dbraw/zinc/16/73/24/388167324.db2.gz FZNMWGHEHFXMFQ-LBPRGKRZSA-N 1 0 247.304 3.761 20 0 BHADRO FCCCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645978316 388114226 /nfs/dbraw/zinc/11/42/26/388114226.db2.gz CZMCVBGVHQNGOR-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO Cc1ccccc1C1([NH2+]Cc2ccccc2)CC1 ZINC000645978392 388114432 /nfs/dbraw/zinc/11/44/32/388114432.db2.gz KGDZTSSKAZYQKM-UHFFFAOYSA-N 1 0 237.346 3.774 20 0 BHADRO Cc1ccccc1C1([NH2+]CCC(F)(F)F)CC1 ZINC000645979839 388114400 /nfs/dbraw/zinc/11/44/00/388114400.db2.gz KARPEZQWRURVME-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO Cc1ccccc1C1([NH2+]C2CCCC2)CC1 ZINC000645980454 388114058 /nfs/dbraw/zinc/11/40/58/388114058.db2.gz JGQOMQWBFAURAV-UHFFFAOYSA-N 1 0 215.340 3.516 20 0 BHADRO Cc1ccccc1C1([NH2+]Cc2cccs2)CC1 ZINC000645980515 388114737 /nfs/dbraw/zinc/11/47/37/388114737.db2.gz OATLGPHGMKSVAV-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO Cc1ccccc1C1([NH2+]CCCCCF)CC1 ZINC000645980929 388114933 /nfs/dbraw/zinc/11/49/33/388114933.db2.gz UCEPRGQPGWWSRN-UHFFFAOYSA-N 1 0 235.346 3.714 20 0 BHADRO CC/C=C\CC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001124 487880387 /nfs/dbraw/zinc/88/03/87/487880387.db2.gz BHDWJJXFYFTBMI-PLNGDYQASA-N 1 0 245.366 3.630 20 0 BHADRO CC/C=C/CC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001125 487880657 /nfs/dbraw/zinc/88/06/57/487880657.db2.gz BHDWJJXFYFTBMI-SNAWJCMRSA-N 1 0 245.366 3.630 20 0 BHADRO FCCCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646001787 388122719 /nfs/dbraw/zinc/12/27/19/388122719.db2.gz LWBLSIVTXYAWAZ-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO Cc1ccc(C[N@H+](CCC(C)C)CC2CC2)cn1 ZINC000646019197 388124852 /nfs/dbraw/zinc/12/48/52/388124852.db2.gz UOUBJTGCZQCMKX-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)=CC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019218 388125152 /nfs/dbraw/zinc/12/51/52/388125152.db2.gz VZVYOTWOXJYYHA-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CC[C@@H](C)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019439 388124911 /nfs/dbraw/zinc/12/49/11/388124911.db2.gz DIBWEZFNBWHMHK-CYBMUJFWSA-N 1 0 246.398 3.648 20 0 BHADRO CC[C@H](C)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019440 388125080 /nfs/dbraw/zinc/12/50/80/388125080.db2.gz DIBWEZFNBWHMHK-ZDUSSCGKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc(C2([NH2+]CCCCF)CCC2)c1 ZINC000646022615 388126447 /nfs/dbraw/zinc/12/64/47/388126447.db2.gz WNCJJPWCFDELSE-UHFFFAOYSA-N 1 0 235.346 3.714 20 0 BHADRO FCCCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646023799 388126104 /nfs/dbraw/zinc/12/61/04/388126104.db2.gz AXJAICWOPXKQRT-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO Cc1nc(C)c(C[N@H+](C)CCC(C)(C)C)s1 ZINC000646027895 388126948 /nfs/dbraw/zinc/12/69/48/388126948.db2.gz MYQASZYLHXQCFP-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccncc1Cl ZINC000646027948 388126607 /nfs/dbraw/zinc/12/66/07/388126607.db2.gz RLGCQWCVQMUVRJ-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO Cc1nc(C[N@H+](C)CCC(C)(C)C)sc1C ZINC000646027974 388128654 /nfs/dbraw/zinc/12/86/54/388128654.db2.gz UGNIJIZANGNNKU-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO C[N@H+](CCCC1CCOCC1)CCC(C)(C)C ZINC000646028535 388127980 /nfs/dbraw/zinc/12/79/80/388127980.db2.gz AJVQKQFVDDPZGQ-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc(Cl)cn1 ZINC000646028558 388128240 /nfs/dbraw/zinc/12/82/40/388128240.db2.gz DESBLOSBJVJVDT-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)CCC(C)(C)C ZINC000646028751 388128399 /nfs/dbraw/zinc/12/83/99/388128399.db2.gz ZODGTKLXSCLNJB-UHFFFAOYSA-N 1 0 243.435 3.950 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(C)(C)C)c(C)n1 ZINC000646028756 388127816 /nfs/dbraw/zinc/12/78/16/388127816.db2.gz ZYXTXUIQCGKLGT-UHFFFAOYSA-N 1 0 234.387 3.566 20 0 BHADRO CC(=O)c1cccc(C[N@H+](C)CCC(C)(C)C)c1 ZINC000646028957 388127826 /nfs/dbraw/zinc/12/78/26/388127826.db2.gz QEKMDZSDCXHZDH-UHFFFAOYSA-N 1 0 247.382 3.757 20 0 BHADRO CCc1ccc(C[N@H+](C)CCC(C)(C)C)nc1 ZINC000646028964 388127896 /nfs/dbraw/zinc/12/78/96/388127896.db2.gz RCEPJALUHNRXOD-UHFFFAOYSA-N 1 0 234.387 3.512 20 0 BHADRO Cc1cnc(CC[N@@H+](C)CCC(C)(C)C)c(C)c1 ZINC000646028989 388128274 /nfs/dbraw/zinc/12/82/74/388128274.db2.gz TUWYWSZTIQHPMB-UHFFFAOYSA-N 1 0 248.414 3.609 20 0 BHADRO C[N@H+](CCC(C)(C)C)C[C@@H]1CCC(F)(F)C1 ZINC000646029035 388127883 /nfs/dbraw/zinc/12/78/83/388127883.db2.gz WUXSUVYSMORMBC-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO C[N@H+](CCC(C)(C)C)C[C@H]1CCC(F)(F)C1 ZINC000646029036 388128797 /nfs/dbraw/zinc/12/87/97/388128797.db2.gz WUXSUVYSMORMBC-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO Cc1sccc1C[N@H+](C)Cc1ccsc1 ZINC000646048912 388132788 /nfs/dbraw/zinc/13/27/88/388132788.db2.gz HCVGGOJMEPOZJX-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO Cc1sccc1C[N@@H+](C)CCC(C)C ZINC000646053133 388133701 /nfs/dbraw/zinc/13/37/01/388133701.db2.gz QTGPYLIGTDUHLA-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1ccsc1C ZINC000646071534 388137064 /nfs/dbraw/zinc/13/70/64/388137064.db2.gz NPOZUHJTFOEOIS-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO Cc1sccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000646086493 388139369 /nfs/dbraw/zinc/13/93/69/388139369.db2.gz ILRBMZZSNBIWAU-CYBMUJFWSA-N 1 0 247.363 3.639 20 0 BHADRO Cc1sccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000646086494 388139317 /nfs/dbraw/zinc/13/93/17/388139317.db2.gz ILRBMZZSNBIWAU-ZDUSSCGKSA-N 1 0 247.363 3.639 20 0 BHADRO C[N@H+](Cc1cc(-c2ccccc2)no1)C(C)(C)C ZINC000646087257 388139951 /nfs/dbraw/zinc/13/99/51/388139951.db2.gz AEYMDOREGGLMIQ-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO C[N@H+](Cc1cccc(OC(F)F)c1)C(C)(C)C ZINC000646087629 388139526 /nfs/dbraw/zinc/13/95/26/388139526.db2.gz KLGPRWKNTUXVDO-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO C[N@H+](CCSc1ccccc1)C(C)(C)C ZINC000646087671 388139453 /nfs/dbraw/zinc/13/94/53/388139453.db2.gz UALFXBSVYHIIKV-UHFFFAOYSA-N 1 0 223.385 3.509 20 0 BHADRO C[N@H+](Cc1nc2ccccc2s1)C(C)(C)C ZINC000646087786 388139971 /nfs/dbraw/zinc/13/99/71/388139971.db2.gz VVWRXKWXCHGCDB-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO COc1ccc(C[N@H+](C)C(C)(C)C)c(Cl)c1 ZINC000646088457 388140013 /nfs/dbraw/zinc/14/00/13/388140013.db2.gz MCQDJELFMDUCQI-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO Cc1sccc1C[NH+]1C2CCCC1CCC2 ZINC000646093356 388140976 /nfs/dbraw/zinc/14/09/76/388140976.db2.gz GCNRHDWBGNTAGB-UHFFFAOYSA-N 1 0 235.396 3.964 20 0 BHADRO CC(C)[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646094799 388141616 /nfs/dbraw/zinc/14/16/16/388141616.db2.gz TXQJXSLAZWVLIH-UHFFFAOYSA-N 1 0 223.747 3.717 20 0 BHADRO FCCC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646095124 388141693 /nfs/dbraw/zinc/14/16/93/388141693.db2.gz FUGJXLAUHUZENS-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000646116480 388145605 /nfs/dbraw/zinc/14/56/05/388145605.db2.gz QABIYFREEKACPF-KBPBESRZSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000646116481 388145609 /nfs/dbraw/zinc/14/56/09/388145609.db2.gz QABIYFREEKACPF-KGLIPLIRSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000646116482 388145812 /nfs/dbraw/zinc/14/58/12/388145812.db2.gz QABIYFREEKACPF-UONOGXRCSA-N 1 0 245.366 3.845 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000646116483 388145439 /nfs/dbraw/zinc/14/54/39/388145439.db2.gz QABIYFREEKACPF-ZIAGYGMSSA-N 1 0 245.366 3.845 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000646116490 388145836 /nfs/dbraw/zinc/14/58/36/388145836.db2.gz WZRHRBRAOWUFJV-JTQLQIEISA-N 1 0 225.719 3.521 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000646116491 388145647 /nfs/dbraw/zinc/14/56/47/388145647.db2.gz WZRHRBRAOWUFJV-SNVBAGLBSA-N 1 0 225.719 3.521 20 0 BHADRO CCC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116799 388145885 /nfs/dbraw/zinc/14/58/85/388145885.db2.gz GBRPLPIDSHLREK-HNNXBMFYSA-N 1 0 227.351 3.790 20 0 BHADRO CCC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116800 388145908 /nfs/dbraw/zinc/14/59/08/388145908.db2.gz GBRPLPIDSHLREK-OAHLLOKOSA-N 1 0 227.351 3.790 20 0 BHADRO CC(C)[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117384 388145471 /nfs/dbraw/zinc/14/54/71/388145471.db2.gz YCEQKDNPWXWSEH-HNNXBMFYSA-N 1 0 227.351 3.788 20 0 BHADRO CC(C)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117385 388145914 /nfs/dbraw/zinc/14/59/14/388145914.db2.gz YCEQKDNPWXWSEH-OAHLLOKOSA-N 1 0 227.351 3.788 20 0 BHADRO C1=CCC2(C[N@@H+](CC3CC3)[C@H]2c2ccccc2)C1 ZINC000646117582 388145887 /nfs/dbraw/zinc/14/58/87/388145887.db2.gz GXMJTJLWHFYNGE-INIZCTEOSA-N 1 0 239.362 3.790 20 0 BHADRO C1=CCC2(C[N@@H+](CC3CC3)[C@@H]2c2ccccc2)C1 ZINC000646117583 388145661 /nfs/dbraw/zinc/14/56/61/388145661.db2.gz GXMJTJLWHFYNGE-MRXNPFEDSA-N 1 0 239.362 3.790 20 0 BHADRO FCCC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117617 388145766 /nfs/dbraw/zinc/14/57/66/388145766.db2.gz JIOPFVYRZCDFQG-HNNXBMFYSA-N 1 0 245.341 3.739 20 0 BHADRO FCCC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117618 388145882 /nfs/dbraw/zinc/14/58/82/388145882.db2.gz JIOPFVYRZCDFQG-OAHLLOKOSA-N 1 0 245.341 3.739 20 0 BHADRO CC1=CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC000646120313 388146497 /nfs/dbraw/zinc/14/64/97/388146497.db2.gz YHWOIIKLZWLZKT-HNNXBMFYSA-N 1 0 219.372 3.965 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCC2=CCCCC2)CC1 ZINC000646120314 388146548 /nfs/dbraw/zinc/14/65/48/388146548.db2.gz YHWOIIKLZWLZKT-OAHLLOKOSA-N 1 0 219.372 3.965 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000646121476 388146420 /nfs/dbraw/zinc/14/64/20/388146420.db2.gz IXJZGLSEMRTHHR-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000646121477 388146559 /nfs/dbraw/zinc/14/65/59/388146559.db2.gz IXJZGLSEMRTHHR-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CC[C@@H]([NH2+]CCOC(C)C)c1csc(C)c1 ZINC000646127743 388149248 /nfs/dbraw/zinc/14/92/48/388149248.db2.gz SQMKIJBIYFQFNE-CYBMUJFWSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@H]([NH2+]CCOC(C)C)c1csc(C)c1 ZINC000646127744 388149531 /nfs/dbraw/zinc/14/95/31/388149531.db2.gz SQMKIJBIYFQFNE-ZDUSSCGKSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCOC)c1csc(C)c1 ZINC000646128574 388150424 /nfs/dbraw/zinc/15/04/24/388150424.db2.gz VFSVOABYGBZBKO-GWCFXTLKSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1csc(C)c1 ZINC000646128575 388150411 /nfs/dbraw/zinc/15/04/11/388150411.db2.gz VFSVOABYGBZBKO-GXFFZTMASA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCOC)c1csc(C)c1 ZINC000646128576 388150027 /nfs/dbraw/zinc/15/00/27/388150027.db2.gz VFSVOABYGBZBKO-MFKMUULPSA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCOC)c1csc(C)c1 ZINC000646128577 388150260 /nfs/dbraw/zinc/15/02/60/388150260.db2.gz VFSVOABYGBZBKO-ZWNOBZJWSA-N 1 0 241.400 3.522 20 0 BHADRO Cc1ccc(C2([NH2+]CCCCF)CCC2)cc1 ZINC000646130436 388149975 /nfs/dbraw/zinc/14/99/75/388149975.db2.gz TVEACQNPQCUJSA-UHFFFAOYSA-N 1 0 235.346 3.714 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C2CCC2)n1 ZINC000646139103 388153945 /nfs/dbraw/zinc/15/39/45/388153945.db2.gz IRAZNOFTGDECJV-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)n1 ZINC000646139106 388153844 /nfs/dbraw/zinc/15/38/44/388153844.db2.gz IRAZNOFTGDECJV-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139128 388154514 /nfs/dbraw/zinc/15/45/14/388154514.db2.gz JLDXZRDDDFRHAB-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccncc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139130 388154809 /nfs/dbraw/zinc/15/48/09/388154809.db2.gz JLDXZRDDDFRHAB-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)nc1 ZINC000646139217 388154914 /nfs/dbraw/zinc/15/49/14/388154914.db2.gz JSEMBGATFGRBRQ-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)nc1 ZINC000646139218 388154836 /nfs/dbraw/zinc/15/48/36/388154836.db2.gz JSEMBGATFGRBRQ-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139379 388154768 /nfs/dbraw/zinc/15/47/68/388154768.db2.gz QQIPKPGAEDZPMA-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cccnc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139380 388154466 /nfs/dbraw/zinc/15/44/66/388154466.db2.gz QQIPKPGAEDZPMA-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139393 388154903 /nfs/dbraw/zinc/15/49/03/388154903.db2.gz RDKXFIPGYDNZMY-LLVKDONJSA-N 1 0 235.293 3.593 20 0 BHADRO FC(F)(F)CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139394 388154518 /nfs/dbraw/zinc/15/45/18/388154518.db2.gz RDKXFIPGYDNZMY-NSHDSACASA-N 1 0 235.293 3.593 20 0 BHADRO Cc1cncc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000646139839 388154396 /nfs/dbraw/zinc/15/43/96/388154396.db2.gz DIYWBMSJWQCPFQ-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cncc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000646139840 388154400 /nfs/dbraw/zinc/15/44/00/388154400.db2.gz DIYWBMSJWQCPFQ-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000646139847 388154425 /nfs/dbraw/zinc/15/44/25/388154425.db2.gz DSMKMNMYWQKXSO-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000646139848 388154796 /nfs/dbraw/zinc/15/47/96/388154796.db2.gz DSMKMNMYWQKXSO-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139885 388154496 /nfs/dbraw/zinc/15/44/96/388154496.db2.gz GDEOWQARTGNRHB-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ncccc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139886 388154603 /nfs/dbraw/zinc/15/46/03/388154603.db2.gz GDEOWQARTGNRHB-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO CC1=CC[C@@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000646146493 388156673 /nfs/dbraw/zinc/15/66/73/388156673.db2.gz BTUOHXVNDWENIS-CYBMUJFWSA-N 1 0 209.377 3.755 20 0 BHADRO CC1=CC[C@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000646146494 388156577 /nfs/dbraw/zinc/15/65/77/388156577.db2.gz BTUOHXVNDWENIS-ZDUSSCGKSA-N 1 0 209.377 3.755 20 0 BHADRO CC(C)C([NH2+][C@H](C)Cc1ccc(O)cc1)C(C)C ZINC000646146509 388156696 /nfs/dbraw/zinc/15/66/96/388156696.db2.gz FVGXHLOESHLOLM-CYBMUJFWSA-N 1 0 249.398 3.593 20 0 BHADRO CC(C)C([NH2+][C@@H](C)Cc1ccc(O)cc1)C(C)C ZINC000646146510 388156552 /nfs/dbraw/zinc/15/65/52/388156552.db2.gz FVGXHLOESHLOLM-ZDUSSCGKSA-N 1 0 249.398 3.593 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000646150060 388157358 /nfs/dbraw/zinc/15/73/58/388157358.db2.gz URCHLTGPBUEZIG-KBPBESRZSA-N 1 0 230.355 3.539 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000646150061 388157229 /nfs/dbraw/zinc/15/72/29/388157229.db2.gz URCHLTGPBUEZIG-KGLIPLIRSA-N 1 0 230.355 3.539 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000646150062 388157263 /nfs/dbraw/zinc/15/72/63/388157263.db2.gz URCHLTGPBUEZIG-UONOGXRCSA-N 1 0 230.355 3.539 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000646150063 388157405 /nfs/dbraw/zinc/15/74/05/388157405.db2.gz URCHLTGPBUEZIG-ZIAGYGMSSA-N 1 0 230.355 3.539 20 0 BHADRO CCn1ccc(C[N@H+](C)Cc2ccsc2C)c1 ZINC000646173370 388159661 /nfs/dbraw/zinc/15/96/61/388159661.db2.gz WUMZTUDXARTXOS-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000646177238 388159840 /nfs/dbraw/zinc/15/98/40/388159840.db2.gz SPTRAIYGIHPLPW-CYBMUJFWSA-N 1 0 219.372 3.798 20 0 BHADRO CC1=CC[C@H]([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000646177239 388159822 /nfs/dbraw/zinc/15/98/22/388159822.db2.gz SPTRAIYGIHPLPW-ZDUSSCGKSA-N 1 0 219.372 3.798 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000646187753 388161081 /nfs/dbraw/zinc/16/10/81/388161081.db2.gz XZPNXCMHHIFPIR-AAEUAGOBSA-N 1 0 221.369 3.898 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)c2ccsc2)CC1 ZINC000646187754 388161357 /nfs/dbraw/zinc/16/13/57/388161357.db2.gz XZPNXCMHHIFPIR-DGCLKSJQSA-N 1 0 221.369 3.898 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000646187755 388161376 /nfs/dbraw/zinc/16/13/76/388161376.db2.gz XZPNXCMHHIFPIR-WCQYABFASA-N 1 0 221.369 3.898 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)c2ccsc2)CC1 ZINC000646187756 388161337 /nfs/dbraw/zinc/16/13/37/388161337.db2.gz XZPNXCMHHIFPIR-YPMHNXCESA-N 1 0 221.369 3.898 20 0 BHADRO Cc1sccc1C[NH+]1CCC2(CCC2)CC1 ZINC000646195120 388161994 /nfs/dbraw/zinc/16/19/94/388161994.db2.gz IPBUUDXRXJNDRU-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO c1cc(C2CCC2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000646205859 388164028 /nfs/dbraw/zinc/16/40/28/388164028.db2.gz ADJFDZYPQFRIRX-UHFFFAOYSA-N 1 0 241.378 3.796 20 0 BHADRO Cc1sccc1C[NH+]1CCC(C2CC2)CC1 ZINC000646206553 388164012 /nfs/dbraw/zinc/16/40/12/388164012.db2.gz GHIPKVBIVIQOGA-UHFFFAOYSA-N 1 0 235.396 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CF)[C@@H](C)C1CCCCC1 ZINC000646214988 388166920 /nfs/dbraw/zinc/16/69/20/388166920.db2.gz ALHOXFWNDNMOAV-QJPTWQEYSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CF)[C@H](C)C1CCCCC1 ZINC000646214989 388166745 /nfs/dbraw/zinc/16/67/45/388166745.db2.gz ALHOXFWNDNMOAV-SDDRHHMPSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([C@H](C)[NH2+][C@@H](C)CF)C1CCCCC1 ZINC000646214990 388166674 /nfs/dbraw/zinc/16/66/74/388166674.db2.gz ALHOXFWNDNMOAV-SRVKXCTJSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000646214991 388166854 /nfs/dbraw/zinc/16/68/54/388166854.db2.gz ALHOXFWNDNMOAV-TUAOUCFPSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)CF ZINC000646215034 388166850 /nfs/dbraw/zinc/16/68/50/388166850.db2.gz LQMOTSJSARSSII-OLZOCXBDSA-N 1 0 237.362 3.690 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000646215035 388166734 /nfs/dbraw/zinc/16/67/34/388166734.db2.gz LQMOTSJSARSSII-STQMWFEESA-N 1 0 237.362 3.690 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)CF ZINC000646215086 388166592 /nfs/dbraw/zinc/16/65/92/388166592.db2.gz YIJSYHDFHNBEIL-XQQFMLRXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+][C@@H](C)CF ZINC000646215087 388166863 /nfs/dbraw/zinc/16/68/63/388166863.db2.gz YIJSYHDFHNBEIL-YNEHKIRRSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000646215099 388166909 /nfs/dbraw/zinc/16/69/09/388166909.db2.gz ZKRDQWPVDVQLPD-AEGPPILISA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000646215100 388166878 /nfs/dbraw/zinc/16/68/78/388166878.db2.gz ZKRDQWPVDVQLPD-CFVMTHIKSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000646215101 388166916 /nfs/dbraw/zinc/16/69/16/388166916.db2.gz ZKRDQWPVDVQLPD-NWANDNLSSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@@H](CF)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000646215102 388166900 /nfs/dbraw/zinc/16/69/00/388166900.db2.gz ZKRDQWPVDVQLPD-QEJZJMRPSA-N 1 0 235.346 3.660 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H](C)CF)cc1 ZINC000646215168 388166200 /nfs/dbraw/zinc/16/62/00/388166200.db2.gz HPEFCXHXWSYIAY-AEGPPILISA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H](C)CF)cc1 ZINC000646215169 388166361 /nfs/dbraw/zinc/16/63/61/388166361.db2.gz HPEFCXHXWSYIAY-CFVMTHIKSA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H](C)CF)cc1 ZINC000646215170 388166095 /nfs/dbraw/zinc/16/60/95/388166095.db2.gz HPEFCXHXWSYIAY-NWANDNLSSA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H](C)CF)cc1 ZINC000646215171 388166222 /nfs/dbraw/zinc/16/62/22/388166222.db2.gz HPEFCXHXWSYIAY-QEJZJMRPSA-N 1 0 235.346 3.579 20 0 BHADRO CC(C)C[C@H](C[NH2+][C@@H](C)CF)c1ccccc1 ZINC000646215242 388166294 /nfs/dbraw/zinc/16/62/94/388166294.db2.gz QRTYOVIOLAEHPM-DZGCQCFKSA-N 1 0 237.362 3.764 20 0 BHADRO CC(C)C[C@@H](C[NH2+][C@@H](C)CF)c1ccccc1 ZINC000646215243 388165904 /nfs/dbraw/zinc/16/59/04/388165904.db2.gz QRTYOVIOLAEHPM-ZFWWWQNUSA-N 1 0 237.362 3.764 20 0 BHADRO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)CF ZINC000646215256 388166084 /nfs/dbraw/zinc/16/60/84/388166084.db2.gz RJEWBVRYJUBTKG-DZGCQCFKSA-N 1 0 237.362 3.736 20 0 BHADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)CF ZINC000646215264 388166040 /nfs/dbraw/zinc/16/60/40/388166040.db2.gz RJEWBVRYJUBTKG-ZFWWWQNUSA-N 1 0 237.362 3.736 20 0 BHADRO C[C@@H](CF)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000646215297 388166346 /nfs/dbraw/zinc/16/63/46/388166346.db2.gz SRQOYJSSQCJSLS-JEYLPNPQSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@@H](CF)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000646215310 388166101 /nfs/dbraw/zinc/16/61/01/388166101.db2.gz UAYODMNREBTYLC-AXFHLTTASA-N 1 0 243.753 3.780 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)CF ZINC000646215312 388165891 /nfs/dbraw/zinc/16/58/91/388165891.db2.gz UAYODMNREBTYLC-DCAQKATOSA-N 1 0 243.753 3.780 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CF)[C@H](C)c1ccc(Cl)cc1 ZINC000646215314 388166159 /nfs/dbraw/zinc/16/61/59/388166159.db2.gz UAYODMNREBTYLC-GARJFASQSA-N 1 0 243.753 3.780 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CF)[C@@H](C)c1ccc(Cl)cc1 ZINC000646215316 388166170 /nfs/dbraw/zinc/16/61/70/388166170.db2.gz UAYODMNREBTYLC-HBNTYKKESA-N 1 0 243.753 3.780 20 0 BHADRO CC1(C)C[N@H+](CC2CCCC2)[C@H]1c1ccncc1 ZINC000646216479 388166728 /nfs/dbraw/zinc/16/67/28/388166728.db2.gz VKRCKWIHQKUVMX-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@H+](CC2CCCC2)[C@@H]1c1ccncc1 ZINC000646216480 388166816 /nfs/dbraw/zinc/16/68/16/388166816.db2.gz VKRCKWIHQKUVMX-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](F)CC[NH2+]CCCC1CCCCC1 ZINC000646245330 388170402 /nfs/dbraw/zinc/17/04/02/388170402.db2.gz PRFGMIJLKNPIKM-GFCCVEGCSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@H](F)CC[NH2+]CCCC1CCCCC1 ZINC000646245331 388170031 /nfs/dbraw/zinc/17/00/31/388170031.db2.gz PRFGMIJLKNPIKM-LBPRGKRZSA-N 1 0 215.356 3.685 20 0 BHADRO C[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)[C@@H]1C ZINC000646252542 388171108 /nfs/dbraw/zinc/17/11/08/388171108.db2.gz MIDSEVYGCFAVOM-NXEZZACHSA-N 1 0 249.741 3.926 20 0 BHADRO C[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)[C@H]1C ZINC000646252543 388170840 /nfs/dbraw/zinc/17/08/40/388170840.db2.gz MIDSEVYGCFAVOM-UWVGGRQHSA-N 1 0 249.741 3.926 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000646252544 388171013 /nfs/dbraw/zinc/17/10/13/388171013.db2.gz MIDSEVYGCFAVOM-VHSXEESVSA-N 1 0 249.741 3.926 20 0 BHADRO C[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)[C@H]1C ZINC000646252545 388170716 /nfs/dbraw/zinc/17/07/16/388170716.db2.gz MIDSEVYGCFAVOM-ZJUUUORDSA-N 1 0 249.741 3.926 20 0 BHADRO CC(C)COc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000646252631 388170927 /nfs/dbraw/zinc/17/09/27/388170927.db2.gz MAGLBXBMDGGBLC-KBPBESRZSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000646252632 388170726 /nfs/dbraw/zinc/17/07/26/388170726.db2.gz MAGLBXBMDGGBLC-KGLIPLIRSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000646252633 388171060 /nfs/dbraw/zinc/17/10/60/388171060.db2.gz MAGLBXBMDGGBLC-UONOGXRCSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000646252634 388170916 /nfs/dbraw/zinc/17/09/16/388170916.db2.gz MAGLBXBMDGGBLC-ZIAGYGMSSA-N 1 0 247.382 3.562 20 0 BHADRO CCCC[N@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@H](C)C1 ZINC000646273119 388174262 /nfs/dbraw/zinc/17/42/62/388174262.db2.gz IAYFJRQJTLQDBA-DZGCQCFKSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cn[nH]c1)[C@H]1CCC[C@@H](C)C1 ZINC000646273120 388174676 /nfs/dbraw/zinc/17/46/76/388174676.db2.gz IAYFJRQJTLQDBA-HIFRSBDPSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@@H](C)C1 ZINC000646273121 388174317 /nfs/dbraw/zinc/17/43/17/388174317.db2.gz IAYFJRQJTLQDBA-UKRRQHHQSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[N@H+](Cc1cn[nH]c1)[C@H]1CCC[C@H](C)C1 ZINC000646273122 388174586 /nfs/dbraw/zinc/17/45/86/388174586.db2.gz IAYFJRQJTLQDBA-ZFWWWQNUSA-N 1 0 249.402 3.591 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)Cc1cn[nH]c1 ZINC000646274371 388174574 /nfs/dbraw/zinc/17/45/74/388174574.db2.gz QKYIHSQMGHABOM-CYBMUJFWSA-N 1 0 237.391 3.591 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)Cc1cn[nH]c1 ZINC000646274372 388174596 /nfs/dbraw/zinc/17/45/96/388174596.db2.gz QKYIHSQMGHABOM-ZDUSSCGKSA-N 1 0 237.391 3.591 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2CF)cc1C ZINC000646277105 388175293 /nfs/dbraw/zinc/17/52/93/388175293.db2.gz VSZDFRJJXMVPIQ-HNNXBMFYSA-N 1 0 235.346 3.546 20 0 BHADRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CF)cc1C ZINC000646277106 388175335 /nfs/dbraw/zinc/17/53/35/388175335.db2.gz VSZDFRJJXMVPIQ-OAHLLOKOSA-N 1 0 235.346 3.546 20 0 BHADRO C[C@H](CC1CCC1)Nc1cc2c(c[nH+]1)CCC2 ZINC000646282253 388175979 /nfs/dbraw/zinc/17/59/79/388175979.db2.gz XUHJUYNAFKAVHM-LLVKDONJSA-N 1 0 230.355 3.561 20 0 BHADRO C[C@@H](CC1CCC1)Nc1cc2c(c[nH+]1)CCC2 ZINC000646282254 388175880 /nfs/dbraw/zinc/17/58/80/388175880.db2.gz XUHJUYNAFKAVHM-NSHDSACASA-N 1 0 230.355 3.561 20 0 BHADRO CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000646293683 388177353 /nfs/dbraw/zinc/17/73/53/388177353.db2.gz OXMGIVVJPFQROX-JKSUJKDBSA-N 1 0 249.373 3.833 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647181719 384561105 /nfs/dbraw/zinc/56/11/05/384561105.db2.gz ONYHGHZCZXPDDU-XYPYZODXSA-N 1 0 231.330 3.733 20 0 BHADRO FC1(F)CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000647188557 384637755 /nfs/dbraw/zinc/63/77/55/384637755.db2.gz YKPLSGMMRWRKFZ-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)C1(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647190973 384711692 /nfs/dbraw/zinc/71/16/92/384711692.db2.gz YQHFCEZGCSMNDK-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)CC1(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647191482 384718178 /nfs/dbraw/zinc/71/81/78/384718178.db2.gz QMIOFIUOGQAGOY-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647191878 384730277 /nfs/dbraw/zinc/73/02/77/384730277.db2.gz DZMKGZZACABHMQ-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO FC1(F)CCC([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000647195911 384787134 /nfs/dbraw/zinc/78/71/34/384787134.db2.gz IPUDYORIORQTQP-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC([NH2+]CCC2=CCCC2)CC1 ZINC000647195963 384786337 /nfs/dbraw/zinc/78/63/37/384786337.db2.gz KIZAAPWTJORCAH-UHFFFAOYSA-N 1 0 229.314 3.654 20 0 BHADRO FC1(F)CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000647196567 384802948 /nfs/dbraw/zinc/80/29/48/384802948.db2.gz FEXOTYWVVFNOBI-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO CC1(C)CC(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647204813 398289378 /nfs/dbraw/zinc/28/93/78/398289378.db2.gz OXGGHTZZELWBFD-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)C(C)(C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647204923 384956446 /nfs/dbraw/zinc/95/64/46/384956446.db2.gz YZFTYUSZWGXLAP-UHFFFAOYSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)=CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647205728 384998654 /nfs/dbraw/zinc/99/86/54/384998654.db2.gz OOJLYNNMQYSUBH-UHFFFAOYSA-N 1 0 217.303 3.510 20 0 BHADRO Cc1cscc1C[NH2+]C1CCC(F)(F)CC1 ZINC000647206924 385039848 /nfs/dbraw/zinc/03/98/48/385039848.db2.gz MIQGJNYGTKQBFK-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647208127 383837585 /nfs/dbraw/zinc/83/75/85/383837585.db2.gz CFNIZXVJJUJQQZ-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647208128 383838287 /nfs/dbraw/zinc/83/82/87/383838287.db2.gz CFNIZXVJJUJQQZ-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647208129 383835850 /nfs/dbraw/zinc/83/58/50/383835850.db2.gz CFNIZXVJJUJQQZ-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647208130 383837260 /nfs/dbraw/zinc/83/72/60/383837260.db2.gz CFNIZXVJJUJQQZ-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647208834 383847285 /nfs/dbraw/zinc/84/72/85/383847285.db2.gz GTZKFKBDLWBGFT-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647208835 383847309 /nfs/dbraw/zinc/84/73/09/383847309.db2.gz GTZKFKBDLWBGFT-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647208836 383847214 /nfs/dbraw/zinc/84/72/14/383847214.db2.gz GTZKFKBDLWBGFT-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647208837 383848186 /nfs/dbraw/zinc/84/81/86/383848186.db2.gz GTZKFKBDLWBGFT-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647213450 383979813 /nfs/dbraw/zinc/97/98/13/383979813.db2.gz DBJUQLJEHCMWTL-UHFFFAOYSA-N 1 0 241.272 3.589 20 0 BHADRO FC1(F)CCC([NH2+]CC2=CCCCC2)CC1 ZINC000647214058 383984672 /nfs/dbraw/zinc/98/46/72/383984672.db2.gz LQKWESDUKDIXEG-UHFFFAOYSA-N 1 0 229.314 3.654 20 0 BHADRO CC(C)(C[NH2+]C1CCC(F)(F)CC1)C1CCC1 ZINC000647214499 383992678 /nfs/dbraw/zinc/99/26/78/383992678.db2.gz BXFPULDXEVTVMB-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1csc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647214610 383993716 /nfs/dbraw/zinc/99/37/16/383993716.db2.gz HRSCIKJGPCKQRD-UHFFFAOYSA-N 1 0 245.338 3.724 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647217324 384035661 /nfs/dbraw/zinc/03/56/61/384035661.db2.gz LPGIHPJBUSZPET-ZYHUDNBSSA-N 1 0 231.330 3.589 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000647219073 384093166 /nfs/dbraw/zinc/09/31/66/384093166.db2.gz ANBTXFPBBHZINY-AAEUAGOBSA-N 1 0 243.341 3.590 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000647221804 384174189 /nfs/dbraw/zinc/17/41/89/384174189.db2.gz KNCKIBZEGAGKGS-KBPBESRZSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000647221805 384173567 /nfs/dbraw/zinc/17/35/67/384173567.db2.gz KNCKIBZEGAGKGS-KGLIPLIRSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000647221806 384173859 /nfs/dbraw/zinc/17/38/59/384173859.db2.gz KNCKIBZEGAGKGS-UONOGXRCSA-N 1 0 247.313 3.803 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000647221807 384173476 /nfs/dbraw/zinc/17/34/76/384173476.db2.gz KNCKIBZEGAGKGS-ZIAGYGMSSA-N 1 0 247.313 3.803 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2Cl)CC1)C1CC1 ZINC000647224185 384251877 /nfs/dbraw/zinc/25/18/77/384251877.db2.gz XERYZELGJFRWQE-JTQLQIEISA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2Cl)CC1)C1CC1 ZINC000647224186 384252019 /nfs/dbraw/zinc/25/20/19/384252019.db2.gz XERYZELGJFRWQE-SNVBAGLBSA-N 1 0 235.758 3.717 20 0 BHADRO Cc1occc1C[NH2+]C1(c2ccccc2C)CC1 ZINC000647224307 384272220 /nfs/dbraw/zinc/27/22/20/384272220.db2.gz APVRBWPJZHOXDE-UHFFFAOYSA-N 1 0 241.334 3.675 20 0 BHADRO Cc1ccc(C[NH2+]C2(c3ccccc3C)CC2)o1 ZINC000647224418 384271995 /nfs/dbraw/zinc/27/19/95/384271995.db2.gz GWYYORSQHNJCNT-UHFFFAOYSA-N 1 0 241.334 3.675 20 0 BHADRO Cc1ccccc1C1([NH2+]Cc2ccsc2)CC1 ZINC000647224733 384276261 /nfs/dbraw/zinc/27/62/61/384276261.db2.gz WQTKCKOAIXQESM-UHFFFAOYSA-N 1 0 243.375 3.835 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)CC(F)F ZINC000647224934 384286799 /nfs/dbraw/zinc/28/67/99/384286799.db2.gz BGAJJHKKMCCVFD-SECBINFHSA-N 1 0 247.716 3.721 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)CC(F)F ZINC000647224935 384285257 /nfs/dbraw/zinc/28/52/57/384285257.db2.gz BGAJJHKKMCCVFD-VIFPVBQESA-N 1 0 247.716 3.721 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccccc1Cl)CC(F)F ZINC000647224937 384287382 /nfs/dbraw/zinc/28/73/82/384287382.db2.gz BIPLBZPWPQULDL-SECBINFHSA-N 1 0 247.716 3.721 20 0 BHADRO C[C@H](C[NH2+]Cc1ccccc1Cl)CC(F)F ZINC000647224938 384286015 /nfs/dbraw/zinc/28/60/15/384286015.db2.gz BIPLBZPWPQULDL-VIFPVBQESA-N 1 0 247.716 3.721 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)CC(F)F)c1C ZINC000647225009 384288735 /nfs/dbraw/zinc/28/87/35/384288735.db2.gz HBPWMTJHPMEVJV-JTQLQIEISA-N 1 0 241.325 3.684 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)CC(F)F)c1C ZINC000647225010 384289820 /nfs/dbraw/zinc/28/98/20/384289820.db2.gz HBPWMTJHPMEVJV-SNVBAGLBSA-N 1 0 241.325 3.684 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1 ZINC000647225044 384292404 /nfs/dbraw/zinc/29/24/04/384292404.db2.gz JUECHOPZDIPHOO-LLVKDONJSA-N 1 0 241.325 3.630 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1 ZINC000647225045 384292153 /nfs/dbraw/zinc/29/21/53/384292153.db2.gz JUECHOPZDIPHOO-NSHDSACASA-N 1 0 241.325 3.630 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1C ZINC000647225123 384292197 /nfs/dbraw/zinc/29/21/97/384292197.db2.gz OCRZPRBSCWCIRQ-JTQLQIEISA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1C ZINC000647225124 384293953 /nfs/dbraw/zinc/29/39/53/384293953.db2.gz OCRZPRBSCWCIRQ-SNVBAGLBSA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)c(C)c1 ZINC000647225163 384293606 /nfs/dbraw/zinc/29/36/06/384293606.db2.gz QJNFDGJKUKJWCD-LLVKDONJSA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)c(C)c1 ZINC000647225164 384293636 /nfs/dbraw/zinc/29/36/36/384293636.db2.gz QJNFDGJKUKJWCD-NSHDSACASA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@H](C)CC(F)F)c1 ZINC000647225271 384292729 /nfs/dbraw/zinc/29/27/29/384292729.db2.gz YBCHJQIBTTWLIV-LLVKDONJSA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000647225272 384292187 /nfs/dbraw/zinc/29/21/87/384292187.db2.gz YBCHJQIBTTWLIV-NSHDSACASA-N 1 0 241.325 3.684 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)CC(F)F ZINC000647225279 384292432 /nfs/dbraw/zinc/29/24/32/384292432.db2.gz YSHOBXXLSKZQDZ-SECBINFHSA-N 1 0 247.716 3.721 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(Cl)c1)CC(F)F ZINC000647225280 384293819 /nfs/dbraw/zinc/29/38/19/384293819.db2.gz YSHOBXXLSKZQDZ-VIFPVBQESA-N 1 0 247.716 3.721 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CC(F)F ZINC000647225438 384301708 /nfs/dbraw/zinc/30/17/08/384301708.db2.gz FUANGXMLZWAHJF-SECBINFHSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CC(F)F ZINC000647225439 384299928 /nfs/dbraw/zinc/29/99/28/384299928.db2.gz FUANGXMLZWAHJF-VIFPVBQESA-N 1 0 245.288 3.515 20 0 BHADRO C[C@@H](C[NH2+]C/C=C/c1ccccc1)CC(F)F ZINC000647225507 384306065 /nfs/dbraw/zinc/30/60/65/384306065.db2.gz ITYAFFFHTLCAAN-FZKGZDJFSA-N 1 0 239.309 3.581 20 0 BHADRO C[C@H](C[NH2+]C/C=C\c1ccccc1)CC(F)F ZINC000647225508 384308494 /nfs/dbraw/zinc/30/84/94/384308494.db2.gz ITYAFFFHTLCAAN-JECSTDCCSA-N 1 0 239.309 3.581 20 0 BHADRO C[C@@H](C[NH2+]C/C=C\c1ccccc1)CC(F)F ZINC000647225509 384307735 /nfs/dbraw/zinc/30/77/35/384307735.db2.gz ITYAFFFHTLCAAN-VVEJJEBESA-N 1 0 239.309 3.581 20 0 BHADRO C[C@H](C[NH2+]C/C=C/c1ccccc1)CC(F)F ZINC000647225510 384306918 /nfs/dbraw/zinc/30/69/18/384306918.db2.gz ITYAFFFHTLCAAN-ZCRIDZFUSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@H](C)CC(F)F)c1 ZINC000647225597 384307200 /nfs/dbraw/zinc/30/72/00/384307200.db2.gz OMRLCXFVFAURST-GFCCVEGCSA-N 1 0 241.325 3.684 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000647225598 384307503 /nfs/dbraw/zinc/30/75/03/384307503.db2.gz OMRLCXFVFAURST-LBPRGKRZSA-N 1 0 241.325 3.684 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCC1)CC(F)F ZINC000647225642 384307726 /nfs/dbraw/zinc/30/77/26/384307726.db2.gz QVHHVXDLVMRZBQ-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCC1)CC(F)F ZINC000647225643 384308380 /nfs/dbraw/zinc/30/83/80/384308380.db2.gz QVHHVXDLVMRZBQ-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)CC(F)F)CC1 ZINC000647225711 384311846 /nfs/dbraw/zinc/31/18/46/384311846.db2.gz WNEVBXUTRUOUGS-UNXYVOJBSA-N 1 0 233.346 3.836 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)CC(F)F)CC1 ZINC000647225712 384311374 /nfs/dbraw/zinc/31/13/74/384311374.db2.gz WNEVBXUTRUOUGS-VOMCLLRMSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1F ZINC000647225796 384374687 /nfs/dbraw/zinc/37/46/87/384374687.db2.gz BBWSJXAHHWOBPX-SECBINFHSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1F ZINC000647225797 384374365 /nfs/dbraw/zinc/37/43/65/384374365.db2.gz BBWSJXAHHWOBPX-VIFPVBQESA-N 1 0 245.288 3.515 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)CC(F)F)ccc1F ZINC000647225800 384375918 /nfs/dbraw/zinc/37/59/18/384375918.db2.gz BHCSGRNBBVACCM-SECBINFHSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)CC(F)F)ccc1F ZINC000647225801 384374429 /nfs/dbraw/zinc/37/44/29/384374429.db2.gz BHCSGRNBBVACCM-VIFPVBQESA-N 1 0 245.288 3.515 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCCC1)CC(F)F ZINC000647225809 384375516 /nfs/dbraw/zinc/37/55/16/384375516.db2.gz BVWZHIKMOPXMGZ-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCCC1)CC(F)F ZINC000647225810 384374823 /nfs/dbraw/zinc/37/48/23/384374823.db2.gz BVWZHIKMOPXMGZ-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)(C)CC1)CC(F)F ZINC000647225848 384374352 /nfs/dbraw/zinc/37/43/52/384374352.db2.gz FKCXKWRMBDBYOR-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)CC(F)F ZINC000647225849 384375759 /nfs/dbraw/zinc/37/57/59/384375759.db2.gz FKCXKWRMBDBYOR-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CC(F)F)C1 ZINC000647225858 384374284 /nfs/dbraw/zinc/37/42/84/384374284.db2.gz GICDRSIJGWWNJC-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1 ZINC000647225859 384374967 /nfs/dbraw/zinc/37/49/67/384374967.db2.gz GICDRSIJGWWNJC-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CC(F)F)C1 ZINC000647225860 384375317 /nfs/dbraw/zinc/37/53/17/384375317.db2.gz GICDRSIJGWWNJC-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CC(F)F)C1 ZINC000647225861 384374927 /nfs/dbraw/zinc/37/49/27/384374927.db2.gz GICDRSIJGWWNJC-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)CC(F)F ZINC000647225934 384375789 /nfs/dbraw/zinc/37/57/89/384375789.db2.gz IWAUHLFARBTOBP-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)CC(F)F ZINC000647225935 384374860 /nfs/dbraw/zinc/37/48/60/384374860.db2.gz IWAUHLFARBTOBP-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)CC(F)F ZINC000647225936 384374786 /nfs/dbraw/zinc/37/47/86/384374786.db2.gz IWAUHLFARBTOBP-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)CC(F)F ZINC000647225937 384375457 /nfs/dbraw/zinc/37/54/57/384375457.db2.gz IWAUHLFARBTOBP-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCc1ccc(C[NH2+]C[C@H](C)CC(F)F)s1 ZINC000647225972 384375914 /nfs/dbraw/zinc/37/59/14/384375914.db2.gz LDQUXMFBSZHPLK-SECBINFHSA-N 1 0 247.354 3.691 20 0 BHADRO CCc1ccc(C[NH2+]C[C@@H](C)CC(F)F)s1 ZINC000647225973 384374504 /nfs/dbraw/zinc/37/45/04/384374504.db2.gz LDQUXMFBSZHPLK-VIFPVBQESA-N 1 0 247.354 3.691 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)CC(F)F)c(C)s1 ZINC000647225993 384375479 /nfs/dbraw/zinc/37/54/79/384375479.db2.gz MZPGATAVASBZDP-MRVPVSSYSA-N 1 0 247.354 3.746 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)CC(F)F)c(C)s1 ZINC000647225994 384374045 /nfs/dbraw/zinc/37/40/45/384374045.db2.gz MZPGATAVASBZDP-QMMMGPOBSA-N 1 0 247.354 3.746 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CC(F)F ZINC000647226070 384375044 /nfs/dbraw/zinc/37/50/44/384375044.db2.gz RLRDKCVKLUTDSJ-JTQLQIEISA-N 1 0 241.325 3.684 20 0 BHADRO Cc1cccc(C)c1C[NH2+]C[C@H](C)CC(F)F ZINC000647226071 384374099 /nfs/dbraw/zinc/37/40/99/384374099.db2.gz RLRDKCVKLUTDSJ-SNVBAGLBSA-N 1 0 241.325 3.684 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000647226092 384374815 /nfs/dbraw/zinc/37/48/15/384374815.db2.gz SEUKCKLITWPZEY-JTQLQIEISA-N 1 0 245.288 3.515 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C[C@H](C)CC(F)F)c1 ZINC000647226093 384375051 /nfs/dbraw/zinc/37/50/51/384375051.db2.gz SEUKCKLITWPZEY-SNVBAGLBSA-N 1 0 245.288 3.515 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)CC(F)F ZINC000647226398 384395482 /nfs/dbraw/zinc/39/54/82/384395482.db2.gz FQWSNJXSQUNOLF-QJPTWQEYSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)CC(F)F ZINC000647226399 384395865 /nfs/dbraw/zinc/39/58/65/384395865.db2.gz FQWSNJXSQUNOLF-SDDRHHMPSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)CC(F)F ZINC000647226400 384395660 /nfs/dbraw/zinc/39/56/60/384395660.db2.gz FQWSNJXSQUNOLF-SRVKXCTJSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)CC(F)F ZINC000647226401 384396139 /nfs/dbraw/zinc/39/61/39/384396139.db2.gz FQWSNJXSQUNOLF-TUAOUCFPSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)CC(F)F ZINC000647226427 384395315 /nfs/dbraw/zinc/39/53/15/384395315.db2.gz GMGQTUNOFDKTSC-GRYCIOLGSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@H](C)C1)CC(F)F ZINC000647226428 384394465 /nfs/dbraw/zinc/39/44/65/384394465.db2.gz GMGQTUNOFDKTSC-SDDRHHMPSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCC[C@H](C)C1)CC(F)F ZINC000647226429 384395743 /nfs/dbraw/zinc/39/57/43/384395743.db2.gz GMGQTUNOFDKTSC-SRVKXCTJSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)CC(F)F ZINC000647226430 384395176 /nfs/dbraw/zinc/39/51/76/384395176.db2.gz GMGQTUNOFDKTSC-WOPDTQHZSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccc1F)CC(F)F ZINC000647226533 384397327 /nfs/dbraw/zinc/39/73/27/384397327.db2.gz KWSQEUBWIDSMQF-NXEZZACHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)CC(F)F ZINC000647226534 384398287 /nfs/dbraw/zinc/39/82/87/384398287.db2.gz KWSQEUBWIDSMQF-UWVGGRQHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccccc1F ZINC000647226535 384398624 /nfs/dbraw/zinc/39/86/24/384398624.db2.gz KWSQEUBWIDSMQF-VHSXEESVSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)CC(F)F ZINC000647226536 384398235 /nfs/dbraw/zinc/39/82/35/384398235.db2.gz KWSQEUBWIDSMQF-ZJUUUORDSA-N 1 0 245.288 3.768 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)CC(F)F)C1 ZINC000647226553 384396817 /nfs/dbraw/zinc/39/68/17/384396817.db2.gz LIVXXBZCYCJEAN-CYZMBNFOSA-N 1 0 245.357 3.860 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)CC(F)F)C1 ZINC000647226554 384397870 /nfs/dbraw/zinc/39/78/70/384397870.db2.gz LIVXXBZCYCJEAN-DRZSPHRISA-N 1 0 245.357 3.860 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)CC(F)F)C1 ZINC000647226555 384397491 /nfs/dbraw/zinc/39/74/91/384397491.db2.gz LIVXXBZCYCJEAN-UHTWSYAYSA-N 1 0 245.357 3.860 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)CC(F)F)C1 ZINC000647226556 384397294 /nfs/dbraw/zinc/39/72/94/384397294.db2.gz LIVXXBZCYCJEAN-WCFLWFBJSA-N 1 0 245.357 3.860 20 0 BHADRO C[C@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)CC(F)F ZINC000647226567 384397960 /nfs/dbraw/zinc/39/79/60/384397960.db2.gz MFICXKKSTZYYAQ-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CC(F)F ZINC000647226568 384397574 /nfs/dbraw/zinc/39/75/74/384397574.db2.gz MFICXKKSTZYYAQ-KXNHARMFSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)CC(F)F ZINC000647226569 384397982 /nfs/dbraw/zinc/39/79/82/384397982.db2.gz MFICXKKSTZYYAQ-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CC(F)F ZINC000647226570 384397994 /nfs/dbraw/zinc/39/79/94/384397994.db2.gz MFICXKKSTZYYAQ-WHOHXGKFSA-N 1 0 233.346 3.692 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)CC(F)F ZINC000647226687 384395993 /nfs/dbraw/zinc/39/59/93/384395993.db2.gz TVJRQPJIIMJWAX-DRZSPHRISA-N 1 0 245.357 3.860 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)CC(F)F ZINC000647226688 384395132 /nfs/dbraw/zinc/39/51/32/384395132.db2.gz TVJRQPJIIMJWAX-KGYLQXTDSA-N 1 0 245.357 3.860 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)CC(F)F ZINC000647226689 384395186 /nfs/dbraw/zinc/39/51/86/384395186.db2.gz TVJRQPJIIMJWAX-WCFLWFBJSA-N 1 0 245.357 3.860 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)CC(F)F ZINC000647226690 384395311 /nfs/dbraw/zinc/39/53/11/384395311.db2.gz TVJRQPJIIMJWAX-WXHSDQCUSA-N 1 0 245.357 3.860 20 0 BHADRO C[C@H](C[NH2+]C1CCC2(CC2)CC1)CC(F)F ZINC000647226716 384402748 /nfs/dbraw/zinc/40/27/48/384402748.db2.gz USDHIQBMUIIDOL-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+]C1CCC2(CC2)CC1)CC(F)F ZINC000647226717 384402083 /nfs/dbraw/zinc/40/20/83/384402083.db2.gz USDHIQBMUIIDOL-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)CC(F)F ZINC000647226720 384402346 /nfs/dbraw/zinc/40/23/46/384402346.db2.gz UVFBBFOIJWFSFY-FIQHERPVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)CC(F)F ZINC000647226721 384403241 /nfs/dbraw/zinc/40/32/41/384403241.db2.gz UVFBBFOIJWFSFY-IRCOFANPSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)CC(F)F ZINC000647226722 384402458 /nfs/dbraw/zinc/40/24/58/384402458.db2.gz UVFBBFOIJWFSFY-NNYUYHANSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)CC(F)F ZINC000647226723 384402666 /nfs/dbraw/zinc/40/26/66/384402666.db2.gz UVFBBFOIJWFSFY-WHOHXGKFSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)CC(F)F ZINC000647226752 384401690 /nfs/dbraw/zinc/40/16/90/384401690.db2.gz VRJWMADQSKKAEJ-AXFHLTTASA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)CC(F)F ZINC000647226753 384402007 /nfs/dbraw/zinc/40/20/07/384402007.db2.gz VRJWMADQSKKAEJ-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)CC(F)F ZINC000647226754 384402756 /nfs/dbraw/zinc/40/27/56/384402756.db2.gz VRJWMADQSKKAEJ-GARJFASQSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)CC(F)F ZINC000647226755 384401979 /nfs/dbraw/zinc/40/19/79/384401979.db2.gz VRJWMADQSKKAEJ-HBNTYKKESA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)C(C[NH2+]C[C@H](C)CC(F)F)C(C)C ZINC000647226844 384402215 /nfs/dbraw/zinc/40/22/15/384402215.db2.gz YVTLGOZKQUUKQW-LLVKDONJSA-N 1 0 235.362 3.796 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H](C)CC(F)F)C(C)C ZINC000647226845 384403536 /nfs/dbraw/zinc/40/35/36/384403536.db2.gz YVTLGOZKQUUKQW-NSHDSACASA-N 1 0 235.362 3.796 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CC(F)F ZINC000647226858 384403046 /nfs/dbraw/zinc/40/30/46/384403046.db2.gz ZPDOEBQGJZZKGV-SECBINFHSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CC(F)F ZINC000647226859 384401923 /nfs/dbraw/zinc/40/19/23/384401923.db2.gz ZPDOEBQGJZZKGV-VIFPVBQESA-N 1 0 245.288 3.515 20 0 BHADRO Cc1cccc(C[NH2+]C[C@H](C)CC(F)F)c1F ZINC000647226988 384437518 /nfs/dbraw/zinc/43/75/18/384437518.db2.gz KDMLHPQMYCOXNL-SECBINFHSA-N 1 0 245.288 3.515 20 0 BHADRO Cc1cccc(C[NH2+]C[C@@H](C)CC(F)F)c1F ZINC000647226989 384438078 /nfs/dbraw/zinc/43/80/78/384438078.db2.gz KDMLHPQMYCOXNL-VIFPVBQESA-N 1 0 245.288 3.515 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230250 384583802 /nfs/dbraw/zinc/58/38/02/384583802.db2.gz OCWOKJRKPOXJJZ-DTZQCDIJSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230251 384583037 /nfs/dbraw/zinc/58/30/37/384583037.db2.gz OCWOKJRKPOXJJZ-LCGIIJARSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230252 384583618 /nfs/dbraw/zinc/58/36/18/384583618.db2.gz OCWOKJRKPOXJJZ-XZDPQHSOSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000647230473 384585314 /nfs/dbraw/zinc/58/53/14/384585314.db2.gz RGSHQQWMKFOYSP-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000647230474 384584958 /nfs/dbraw/zinc/58/49/58/384584958.db2.gz RGSHQQWMKFOYSP-DRPJVOAASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000647230475 384587444 /nfs/dbraw/zinc/58/74/44/384587444.db2.gz RGSHQQWMKFOYSP-DTZQCDIJSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000647230476 384587146 /nfs/dbraw/zinc/58/71/46/384587146.db2.gz RGSHQQWMKFOYSP-LCGIIJARSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)C1CC1 ZINC000647233322 384714718 /nfs/dbraw/zinc/71/47/18/384714718.db2.gz HHCRSHNWLLLEGN-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2cccc(F)c2)CCC1)C1CC1 ZINC000647233323 384714948 /nfs/dbraw/zinc/71/49/48/384714948.db2.gz HHCRSHNWLLLEGN-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO Fc1cccc(C2([NH2+]Cc3ccco3)CCC2)c1 ZINC000647233372 384716493 /nfs/dbraw/zinc/71/64/93/384716493.db2.gz MTZIMSRLFLADKS-UHFFFAOYSA-N 1 0 245.297 3.588 20 0 BHADRO c1cc(C[NH2+][C@H](C2CCC2)C2CCCC2)ccn1 ZINC000647235928 384774885 /nfs/dbraw/zinc/77/48/85/384774885.db2.gz KQCQDUYSCAKFJV-INIZCTEOSA-N 1 0 244.382 3.530 20 0 BHADRO c1cc(C[NH2+][C@@H](C2CCC2)C2CCCC2)ccn1 ZINC000647235929 384774396 /nfs/dbraw/zinc/77/43/96/384774396.db2.gz KQCQDUYSCAKFJV-MRXNPFEDSA-N 1 0 244.382 3.530 20 0 BHADRO c1ccc(C[NH2+][C@H](C2CCC2)C2CCCC2)nc1 ZINC000647236148 384775003 /nfs/dbraw/zinc/77/50/03/384775003.db2.gz VTJLADZBTIASAS-INIZCTEOSA-N 1 0 244.382 3.530 20 0 BHADRO c1ccc(C[NH2+][C@@H](C2CCC2)C2CCCC2)nc1 ZINC000647236149 384774340 /nfs/dbraw/zinc/77/43/40/384774340.db2.gz VTJLADZBTIASAS-MRXNPFEDSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+][C@H](C2CCC2)C2CCCC2)c1 ZINC000647236163 384775195 /nfs/dbraw/zinc/77/51/95/384775195.db2.gz WFQBOXUAJAUHKV-INIZCTEOSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+][C@@H](C2CCC2)C2CCCC2)c1 ZINC000647236164 384774711 /nfs/dbraw/zinc/77/47/11/384774711.db2.gz WFQBOXUAJAUHKV-MRXNPFEDSA-N 1 0 244.382 3.530 20 0 BHADRO Cc1cccc(C2([NH2+]Cc3ccco3)CCC2)c1 ZINC000647236267 398322342 /nfs/dbraw/zinc/32/23/42/398322342.db2.gz ARSRWUOPQJFAIE-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)C1CC1 ZINC000647237405 384853308 /nfs/dbraw/zinc/85/33/08/384853308.db2.gz XXOSXDDYDUXTHZ-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)C1CC1 ZINC000647237406 384853614 /nfs/dbraw/zinc/85/36/14/384853614.db2.gz XXOSXDDYDUXTHZ-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000647251722 383891580 /nfs/dbraw/zinc/89/15/80/383891580.db2.gz INJLBFOSIIKVCB-UBHAPETDSA-N 1 0 241.787 3.680 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)ccc2o1 ZINC000647252200 383894836 /nfs/dbraw/zinc/89/48/36/383894836.db2.gz XLABGIQPRKFBPE-NWANDNLSSA-N 1 0 241.334 3.711 20 0 BHADRO Cc1sccc1C[NH2+]CC1CCC(F)CC1 ZINC000647252345 383916358 /nfs/dbraw/zinc/91/63/58/383916358.db2.gz AMLJEIQCLNHQKT-UHFFFAOYSA-N 1 0 241.375 3.674 20 0 BHADRO Cc1cc(C[NH2+]CC2CCC(F)CC2)cs1 ZINC000647252469 383913112 /nfs/dbraw/zinc/91/31/12/383913112.db2.gz GHGCWPZMEWHKFS-UHFFFAOYSA-N 1 0 241.375 3.674 20 0 BHADRO FC1CCC(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647252669 383924023 /nfs/dbraw/zinc/92/40/23/383924023.db2.gz NXVSNGCFWYAYDU-UHFFFAOYSA-N 1 0 249.320 3.682 20 0 BHADRO FC1CCC(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000647252784 383924901 /nfs/dbraw/zinc/92/49/01/383924901.db2.gz UVAHRJMYVNKARQ-UHFFFAOYSA-N 1 0 239.378 3.827 20 0 BHADRO Cc1ccc(C[NH2+]CC2CCC(F)CC2)s1 ZINC000647252918 383935056 /nfs/dbraw/zinc/93/50/56/383935056.db2.gz BDPGDIPEHJBOCN-UHFFFAOYSA-N 1 0 241.375 3.674 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647252921 383934075 /nfs/dbraw/zinc/93/40/75/383934075.db2.gz BTABGJPKTVPVBG-HIFPTAJRSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647252922 383934524 /nfs/dbraw/zinc/93/45/24/383934524.db2.gz BTABGJPKTVPVBG-PNESKVBLSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1ccsc1C[NH2+]CC1CCC(F)CC1 ZINC000647252930 383935234 /nfs/dbraw/zinc/93/52/34/383935234.db2.gz CCOBWMMXCGGOFM-UHFFFAOYSA-N 1 0 241.375 3.674 20 0 BHADRO FC1CCC(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000647253164 383949868 /nfs/dbraw/zinc/94/98/68/383949868.db2.gz VLPZGZBSSOPJEB-UHFFFAOYSA-N 1 0 245.725 3.551 20 0 BHADRO FC1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000647253169 383949705 /nfs/dbraw/zinc/94/97/05/383949705.db2.gz VODHPMUBRFEHLM-DAXSKMNVSA-N 1 0 247.357 3.818 20 0 BHADRO FC1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000647253170 383949515 /nfs/dbraw/zinc/94/95/15/383949515.db2.gz VODHPMUBRFEHLM-QPJJXVBHSA-N 1 0 247.357 3.818 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccco1)c1csc(C)c1 ZINC000647254080 383970172 /nfs/dbraw/zinc/97/01/72/383970172.db2.gz NLLVGZYESVZUJL-CYBMUJFWSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]Cc1ccco1)c1csc(C)c1 ZINC000647254081 383969637 /nfs/dbraw/zinc/96/96/37/383969637.db2.gz NLLVGZYESVZUJL-ZDUSSCGKSA-N 1 0 235.352 3.890 20 0 BHADRO FCC1([NH2+]Cc2ccc(C3CC3)cc2)CCC1 ZINC000647254860 384007591 /nfs/dbraw/zinc/00/75/91/384007591.db2.gz FFOSLYKXXUZVAM-UHFFFAOYSA-N 1 0 233.330 3.546 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]C2(CF)CCC2)c1 ZINC000647254986 384013614 /nfs/dbraw/zinc/01/36/14/384013614.db2.gz ZBEDPYVKTZWGHH-UHFFFAOYSA-N 1 0 241.737 3.630 20 0 BHADRO Cc1ccc(C2([NH2+]Cc3ccco3)CCC2)cc1 ZINC000647255165 384018067 /nfs/dbraw/zinc/01/80/67/384018067.db2.gz JNATVUQHBQPQAF-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000647256277 384045981 /nfs/dbraw/zinc/04/59/81/384045981.db2.gz LLHWSQGOHRKPQN-GWIPOTDSSA-N 1 0 245.341 3.617 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000647256278 384045804 /nfs/dbraw/zinc/04/58/04/384045804.db2.gz LLHWSQGOHRKPQN-JHPDWOPISA-N 1 0 245.341 3.617 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647256405 384044761 /nfs/dbraw/zinc/04/47/61/384044761.db2.gz QRJRLUHCOPMIDQ-ATZCPNFKSA-N 1 0 241.787 3.680 20 0 BHADRO Clc1cscc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647256406 384044902 /nfs/dbraw/zinc/04/49/02/384044902.db2.gz QRJRLUHCOPMIDQ-FXPVBKGRSA-N 1 0 241.787 3.680 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cc1 ZINC000647256531 384044277 /nfs/dbraw/zinc/04/42/77/384044277.db2.gz VUZTTXGUAFDXET-AOLWHUPESA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cc1 ZINC000647256534 384045606 /nfs/dbraw/zinc/04/56/06/384045606.db2.gz VUZTTXGUAFDXET-XKVFNRALSA-N 1 0 247.357 3.707 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)ccc2o1 ZINC000647256926 384053971 /nfs/dbraw/zinc/05/39/71/384053971.db2.gz LHVUZPWMMJFXKG-AEGPPILISA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)ccc2o1 ZINC000647256927 384053195 /nfs/dbraw/zinc/05/31/95/384053195.db2.gz LHVUZPWMMJFXKG-BPLDGKMQSA-N 1 0 241.334 3.711 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000647257426 384064648 /nfs/dbraw/zinc/06/46/48/384064648.db2.gz CAKDXRUZSHLJMW-UUAJXVIYSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000647257427 384065495 /nfs/dbraw/zinc/06/54/95/384065495.db2.gz CAKDXRUZSHLJMW-VIQHNZTISA-N 1 0 241.378 3.568 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000647258257 384083344 /nfs/dbraw/zinc/08/33/44/384083344.db2.gz ZCVJFLPAJAWRAI-DUAKTUNXSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCS[C@H]1C ZINC000647258258 384084073 /nfs/dbraw/zinc/08/40/73/384084073.db2.gz ZCVJFLPAJAWRAI-JQQVXKHSSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCS[C@H]1C ZINC000647258259 384084541 /nfs/dbraw/zinc/08/45/41/384084541.db2.gz ZCVJFLPAJAWRAI-YLNVSZPXSA-N 1 0 247.407 3.574 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000647258260 384085340 /nfs/dbraw/zinc/08/53/40/384085340.db2.gz ZCVJFLPAJAWRAI-ZYICGEMBSA-N 1 0 247.407 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@H]1C ZINC000647263057 384325767 /nfs/dbraw/zinc/32/57/67/384325767.db2.gz CRUWGBRLRHXDPC-CSYMLDBXSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1C[C@H]1C ZINC000647263058 384326267 /nfs/dbraw/zinc/32/62/67/384326267.db2.gz CRUWGBRLRHXDPC-LDMBFOFVSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@H]1C ZINC000647263059 384324541 /nfs/dbraw/zinc/32/45/41/384324541.db2.gz CRUWGBRLRHXDPC-PZWNZHSQSA-N 1 0 249.320 3.742 20 0 BHADRO CCCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647279969 384653302 /nfs/dbraw/zinc/65/33/02/384653302.db2.gz JLPRHMSSNYLKTE-AWEZNQCLSA-N 1 0 220.360 3.559 20 0 BHADRO CCCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647279970 384652539 /nfs/dbraw/zinc/65/25/39/384652539.db2.gz JLPRHMSSNYLKTE-CQSZACIVSA-N 1 0 220.360 3.559 20 0 BHADRO COc1ccc([C@H](CC(C)C)[NH2+]C2CC2)cc1 ZINC000647279978 384653460 /nfs/dbraw/zinc/65/34/60/384653460.db2.gz KFRUYTOBQGDYLZ-HNNXBMFYSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](CC(C)C)[NH2+]C2CC2)cc1 ZINC000647279979 384653913 /nfs/dbraw/zinc/65/39/13/384653913.db2.gz KFRUYTOBQGDYLZ-OAHLLOKOSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CCCC1)c1ccncc1 ZINC000647280159 384653919 /nfs/dbraw/zinc/65/39/19/384653919.db2.gz ZGQSDZGRARMFIA-HNNXBMFYSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CCCC1)c1ccncc1 ZINC000647280160 384652430 /nfs/dbraw/zinc/65/24/30/384652430.db2.gz ZGQSDZGRARMFIA-OAHLLOKOSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)CC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280298 384664773 /nfs/dbraw/zinc/66/47/73/384664773.db2.gz DFTFTFDDGUFMSB-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280299 384665094 /nfs/dbraw/zinc/66/50/94/384665094.db2.gz DFTFTFDDGUFMSB-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@H](C)[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280368 384663960 /nfs/dbraw/zinc/66/39/60/384663960.db2.gz JDNGNSIAJNXAIL-GXTWGEPZSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280369 384665285 /nfs/dbraw/zinc/66/52/85/384665285.db2.gz JDNGNSIAJNXAIL-JSGCOSHPSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280370 384664190 /nfs/dbraw/zinc/66/41/90/384664190.db2.gz JDNGNSIAJNXAIL-OCCSQVGLSA-N 1 0 220.360 3.557 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280371 384662264 /nfs/dbraw/zinc/66/22/64/384662264.db2.gz JDNGNSIAJNXAIL-TZMCWYRMSA-N 1 0 220.360 3.557 20 0 BHADRO CCCCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280418 384663831 /nfs/dbraw/zinc/66/38/31/384663831.db2.gz MISKJGUJQRTZBE-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280419 384664493 /nfs/dbraw/zinc/66/44/93/384664493.db2.gz MISKJGUJQRTZBE-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1ccco1)c1ccncc1 ZINC000647280553 384657065 /nfs/dbraw/zinc/65/70/65/384657065.db2.gz TUVUBPWIOJDBEI-HNNXBMFYSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1ccco1)c1ccncc1 ZINC000647280556 384655768 /nfs/dbraw/zinc/65/57/68/384655768.db2.gz TUVUBPWIOJDBEI-OAHLLOKOSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H](C)C1CC1)c1ccncc1 ZINC000647280970 398339049 /nfs/dbraw/zinc/33/90/49/398339049.db2.gz PXLRJTZWBRJSCH-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H](C)C1CC1)c1ccncc1 ZINC000647280971 398339002 /nfs/dbraw/zinc/33/90/02/398339002.db2.gz PXLRJTZWBRJSCH-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccncc1 ZINC000647280972 398339013 /nfs/dbraw/zinc/33/90/13/398339013.db2.gz PXLRJTZWBRJSCH-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H](C)C1CC1)c1ccncc1 ZINC000647280973 398339056 /nfs/dbraw/zinc/33/90/56/398339056.db2.gz PXLRJTZWBRJSCH-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CCCC1)c1ccncc1 ZINC000647284208 384728176 /nfs/dbraw/zinc/72/81/76/384728176.db2.gz HNIIYCQDWUKKGT-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CCCC1)c1ccncc1 ZINC000647284209 384725297 /nfs/dbraw/zinc/72/52/97/384725297.db2.gz HNIIYCQDWUKKGT-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@H]([NH2+]Cc1ccoc1)c1ccncc1 ZINC000647284336 384730849 /nfs/dbraw/zinc/73/08/49/384730849.db2.gz LGPXXKOXSGJQJV-HNNXBMFYSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@@H]([NH2+]Cc1ccoc1)c1ccncc1 ZINC000647284337 384730814 /nfs/dbraw/zinc/73/08/14/384730814.db2.gz LGPXXKOXSGJQJV-OAHLLOKOSA-N 1 0 244.338 3.552 20 0 BHADRO CC(C)C[C@H]([NH2+]CC(C)(C)C)c1ccncc1 ZINC000647284753 384734787 /nfs/dbraw/zinc/73/47/87/384734787.db2.gz CTKNKFIUCQODJS-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC(C)(C)C)c1ccncc1 ZINC000647284754 384737644 /nfs/dbraw/zinc/73/76/44/384737644.db2.gz CTKNKFIUCQODJS-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CCC1)c1ccncc1 ZINC000647284755 384736558 /nfs/dbraw/zinc/73/65/58/384736558.db2.gz DHMIEHHQFQJKGG-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CCC1)c1ccncc1 ZINC000647284756 384737405 /nfs/dbraw/zinc/73/74/05/384737405.db2.gz DHMIEHHQFQJKGG-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H](C)C1CC1)c1ccncc1 ZINC000647285445 384752393 /nfs/dbraw/zinc/75/23/93/384752393.db2.gz DJLBPNOPFSFPCY-BBRMVZONSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccncc1 ZINC000647285446 384750421 /nfs/dbraw/zinc/75/04/21/384750421.db2.gz DJLBPNOPFSFPCY-CJNGLKHVSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccncc1 ZINC000647285447 384750632 /nfs/dbraw/zinc/75/06/32/384750632.db2.gz DJLBPNOPFSFPCY-CZUORRHYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccncc1 ZINC000647285448 384751170 /nfs/dbraw/zinc/75/11/70/384751170.db2.gz DJLBPNOPFSFPCY-XJKSGUPXSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCC1CC1)c1ccncc1 ZINC000647293565 384883028 /nfs/dbraw/zinc/88/30/28/384883028.db2.gz PGMKKUGHCONGQJ-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCC1CC1)c1ccncc1 ZINC000647293566 384883512 /nfs/dbraw/zinc/88/35/12/384883512.db2.gz PGMKKUGHCONGQJ-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccncc1 ZINC000647293627 384883788 /nfs/dbraw/zinc/88/37/88/384883788.db2.gz SXFCKHDCIUSKFH-CVEARBPZSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC=CCC1)c1ccncc1 ZINC000647293628 384881571 /nfs/dbraw/zinc/88/15/71/384881571.db2.gz SXFCKHDCIUSKFH-HOTGVXAUSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccncc1 ZINC000647293629 384882724 /nfs/dbraw/zinc/88/27/24/384882724.db2.gz SXFCKHDCIUSKFH-HZPDHXFCSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccncc1 ZINC000647293630 384881809 /nfs/dbraw/zinc/88/18/09/384881809.db2.gz SXFCKHDCIUSKFH-JKSUJKDBSA-N 1 0 244.382 3.867 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1(C)CC1)c1ccncc1 ZINC000647293825 384889145 /nfs/dbraw/zinc/88/91/45/384889145.db2.gz CQOGXMCCAZGRNQ-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1(C)CC1)c1ccncc1 ZINC000647293826 384889821 /nfs/dbraw/zinc/88/98/21/384889821.db2.gz CQOGXMCCAZGRNQ-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CC(C)C1)c1ccncc1 ZINC000647293983 384890577 /nfs/dbraw/zinc/89/05/77/384890577.db2.gz IBIAQPWYTQGNRW-PESDSKBTSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CC(C)C1)c1ccncc1 ZINC000647293984 384891252 /nfs/dbraw/zinc/89/12/52/384891252.db2.gz IBIAQPWYTQGNRW-ZALBZXLWSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1CC1)c1ccncc1 ZINC000647294034 384894651 /nfs/dbraw/zinc/89/46/51/384894651.db2.gz LEPDFWULXUISNM-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1CC1)c1ccncc1 ZINC000647294035 384894369 /nfs/dbraw/zinc/89/43/69/384894369.db2.gz LEPDFWULXUISNM-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1(C[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647294096 384892845 /nfs/dbraw/zinc/89/28/45/384892845.db2.gz NQXSLNWBMVACFL-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC1(C[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647294097 384893658 /nfs/dbraw/zinc/89/36/58/384893658.db2.gz NQXSLNWBMVACFL-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647294181 384893059 /nfs/dbraw/zinc/89/30/59/384893059.db2.gz RMTJBTIFCOABLC-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647294182 384894206 /nfs/dbraw/zinc/89/42/06/384894206.db2.gz RMTJBTIFCOABLC-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647294183 384894378 /nfs/dbraw/zinc/89/43/78/384894378.db2.gz RMTJBTIFCOABLC-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647294184 384893712 /nfs/dbraw/zinc/89/37/12/384893712.db2.gz RMTJBTIFCOABLC-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1(C)CCC1)c1ccncc1 ZINC000647294315 384898059 /nfs/dbraw/zinc/89/80/59/384898059.db2.gz YVEREYKBKYGPTG-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1(C)CCC1)c1ccncc1 ZINC000647294316 384896501 /nfs/dbraw/zinc/89/65/01/384896501.db2.gz YVEREYKBKYGPTG-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C([NH2+]C1CCC(F)(F)CC1)C(C)C ZINC000647294989 384907985 /nfs/dbraw/zinc/90/79/85/384907985.db2.gz VTLDRENYPCTTHX-UHFFFAOYSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC1(C)C)c1ccncc1 ZINC000647296374 384940832 /nfs/dbraw/zinc/94/08/32/384940832.db2.gz FDXIFUSXMLDVRI-KBPBESRZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccncc1 ZINC000647296375 384942908 /nfs/dbraw/zinc/94/29/08/384942908.db2.gz FDXIFUSXMLDVRI-KGLIPLIRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccncc1 ZINC000647296376 384941662 /nfs/dbraw/zinc/94/16/62/384941662.db2.gz FDXIFUSXMLDVRI-UONOGXRCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccncc1 ZINC000647296377 384941021 /nfs/dbraw/zinc/94/10/21/384941021.db2.gz FDXIFUSXMLDVRI-ZIAGYGMSSA-N 1 0 232.371 3.557 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000647297148 384955784 /nfs/dbraw/zinc/95/57/84/384955784.db2.gz ONZZTOAUODUGHD-GCZXYKMCSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000647297149 384956610 /nfs/dbraw/zinc/95/66/10/384956610.db2.gz ONZZTOAUODUGHD-XIVSLSHWSA-N 1 0 243.341 3.733 20 0 BHADRO Cc1cc(C)[nH+]c(NC2CCC(F)(F)CC2)c1 ZINC000647297555 384955825 /nfs/dbraw/zinc/95/58/25/384955825.db2.gz KPUGPQHSKOZKAM-UHFFFAOYSA-N 1 0 240.297 3.688 20 0 BHADRO CC(C)=CC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647301051 385069421 /nfs/dbraw/zinc/06/94/21/385069421.db2.gz PJLFFIALAWLEAW-HNNXBMFYSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)=CC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647301052 385069080 /nfs/dbraw/zinc/06/90/80/385069080.db2.gz PJLFFIALAWLEAW-OAHLLOKOSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1(C)CC1)c1ccncc1 ZINC000647301924 385096612 /nfs/dbraw/zinc/09/66/12/385096612.db2.gz XRFMPAIASSDAHP-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1(C)CC1)c1ccncc1 ZINC000647301925 385096091 /nfs/dbraw/zinc/09/60/91/385096091.db2.gz XRFMPAIASSDAHP-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccncc1 ZINC000647303976 385153273 /nfs/dbraw/zinc/15/32/73/385153273.db2.gz RUMCYNPJUKTLHR-CFVMTHIKSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccncc1 ZINC000647303977 385153691 /nfs/dbraw/zinc/15/36/91/385153691.db2.gz RUMCYNPJUKTLHR-QEJZJMRPSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccncc1 ZINC000647303978 385155713 /nfs/dbraw/zinc/15/57/13/385155713.db2.gz RUMCYNPJUKTLHR-SNPRPXQTSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccncc1 ZINC000647303979 385154726 /nfs/dbraw/zinc/15/47/26/385154726.db2.gz RUMCYNPJUKTLHR-YUELXQCFSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCCF)c1ccncc1 ZINC000647304569 385165207 /nfs/dbraw/zinc/16/52/07/385165207.db2.gz UXOUETJKCMZVOT-AWEZNQCLSA-N 1 0 238.350 3.508 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCCF)c1ccncc1 ZINC000647304570 385166803 /nfs/dbraw/zinc/16/68/03/385166803.db2.gz UXOUETJKCMZVOT-CQSZACIVSA-N 1 0 238.350 3.508 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC[C@H](C)F)c1ccncc1 ZINC000647304939 385177243 /nfs/dbraw/zinc/17/72/43/385177243.db2.gz JEEQHBNWYUTLBO-GXTWGEPZSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC[C@H](C)F)c1ccncc1 ZINC000647304941 385177009 /nfs/dbraw/zinc/17/70/09/385177009.db2.gz JEEQHBNWYUTLBO-JSGCOSHPSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@H]([NH2+]CC[C@@H](C)F)c1ccncc1 ZINC000647304944 385176814 /nfs/dbraw/zinc/17/68/14/385176814.db2.gz JEEQHBNWYUTLBO-OCCSQVGLSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC[C@@H](C)F)c1ccncc1 ZINC000647304945 385178181 /nfs/dbraw/zinc/17/81/81/385178181.db2.gz JEEQHBNWYUTLBO-TZMCWYRMSA-N 1 0 238.350 3.507 20 0 BHADRO CC/C=C\C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647305788 385188447 /nfs/dbraw/zinc/18/84/47/385188447.db2.gz WRYCEBHARBNUHW-IYKSTZQJSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C/C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647305789 385188288 /nfs/dbraw/zinc/18/82/88/385188288.db2.gz WRYCEBHARBNUHW-LLYBFZRZSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C/C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647305790 385186480 /nfs/dbraw/zinc/18/64/80/385186480.db2.gz WRYCEBHARBNUHW-NFAHFFEMSA-N 1 0 232.371 3.725 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647305791 385188357 /nfs/dbraw/zinc/18/83/57/385188357.db2.gz WRYCEBHARBNUHW-YVACAVLKSA-N 1 0 232.371 3.725 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647305916 385194711 /nfs/dbraw/zinc/19/47/11/385194711.db2.gz JFGMANHGCIHHPF-KBMXLJTQSA-N 1 0 246.398 3.805 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647305917 385195789 /nfs/dbraw/zinc/19/57/89/385195789.db2.gz JFGMANHGCIHHPF-VNQPRFMTSA-N 1 0 246.398 3.805 20 0 BHADRO FC1(F)CCC([NH2+]C2(C3CCC3)CCC2)CC1 ZINC000647307627 385234775 /nfs/dbraw/zinc/23/47/75/385234775.db2.gz DRVKZXHVXRXKLQ-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000647308083 385235541 /nfs/dbraw/zinc/23/55/41/385235541.db2.gz JZUXIRMKYIWAGW-LOWDOPEQSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000647308084 385233526 /nfs/dbraw/zinc/23/35/26/385233526.db2.gz JZUXIRMKYIWAGW-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000647308085 385233415 /nfs/dbraw/zinc/23/34/15/385233415.db2.gz JZUXIRMKYIWAGW-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000647308086 385234969 /nfs/dbraw/zinc/23/49/69/385234969.db2.gz JZUXIRMKYIWAGW-RNJOBUHISA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000647309766 385252613 /nfs/dbraw/zinc/25/26/13/385252613.db2.gz TYIAKVYEKDNKKZ-FZKCQIBNSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000647309767 385253893 /nfs/dbraw/zinc/25/38/93/385253893.db2.gz TYIAKVYEKDNKKZ-QKPAOTATSA-N 1 0 244.382 3.557 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC000647312375 385305874 /nfs/dbraw/zinc/30/58/74/385305874.db2.gz UBCGMJBCNRGPMB-AEGPPILISA-N 1 0 235.346 3.926 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC000647312376 385305947 /nfs/dbraw/zinc/30/59/47/385305947.db2.gz UBCGMJBCNRGPMB-CFVMTHIKSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC000647312377 385305990 /nfs/dbraw/zinc/30/59/90/385305990.db2.gz UBCGMJBCNRGPMB-NWANDNLSSA-N 1 0 235.346 3.926 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC000647312378 385304102 /nfs/dbraw/zinc/30/41/02/385304102.db2.gz UBCGMJBCNRGPMB-QEJZJMRPSA-N 1 0 235.346 3.926 20 0 BHADRO F[C@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000647312798 385318770 /nfs/dbraw/zinc/31/87/70/385318770.db2.gz JVLZWNPRALCDSA-KBPBESRZSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000647312799 385319855 /nfs/dbraw/zinc/31/98/55/385319855.db2.gz JVLZWNPRALCDSA-KGLIPLIRSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000647312800 385319229 /nfs/dbraw/zinc/31/92/29/385319229.db2.gz JVLZWNPRALCDSA-UONOGXRCSA-N 1 0 239.378 3.826 20 0 BHADRO F[C@@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000647312801 385319337 /nfs/dbraw/zinc/31/93/37/385319337.db2.gz JVLZWNPRALCDSA-ZIAGYGMSSA-N 1 0 239.378 3.826 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1CCCC1 ZINC000647312832 385319497 /nfs/dbraw/zinc/31/94/97/385319497.db2.gz VOYSDWFCYJKVIF-IHRRRGAJSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1CCCC1 ZINC000647312833 385319548 /nfs/dbraw/zinc/31/95/48/385319548.db2.gz VOYSDWFCYJKVIF-MCIONIFRSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1CCCC1 ZINC000647312834 385319413 /nfs/dbraw/zinc/31/94/13/385319413.db2.gz VOYSDWFCYJKVIF-MJBXVCDLSA-N 1 0 227.367 3.826 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1CCCC1 ZINC000647312835 385319627 /nfs/dbraw/zinc/31/96/27/385319627.db2.gz VOYSDWFCYJKVIF-RDBSUJKOSA-N 1 0 227.367 3.826 20 0 BHADRO CC1CC([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000647315522 384209393 /nfs/dbraw/zinc/20/93/93/384209393.db2.gz LGLDWDKBYCDFAE-UHFFFAOYSA-N 1 0 235.758 3.717 20 0 BHADRO Cc1ccccc1C1([NH2+][C@H](C)c2ccco2)CC1 ZINC000647315934 384210982 /nfs/dbraw/zinc/21/09/82/384210982.db2.gz GRPVUNLOHNZWIY-CYBMUJFWSA-N 1 0 241.334 3.928 20 0 BHADRO Cc1ccccc1C1([NH2+][C@@H](C)c2ccco2)CC1 ZINC000647315935 384211528 /nfs/dbraw/zinc/21/15/28/384211528.db2.gz GRPVUNLOHNZWIY-ZDUSSCGKSA-N 1 0 241.334 3.928 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647316050 384211591 /nfs/dbraw/zinc/21/15/91/384211591.db2.gz MTWSAHVJJLIWBP-JTQLQIEISA-N 1 0 223.747 3.717 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647316051 384210526 /nfs/dbraw/zinc/21/05/26/384210526.db2.gz MTWSAHVJJLIWBP-SNVBAGLBSA-N 1 0 223.747 3.717 20 0 BHADRO Cc1ccccc1C1([NH2+][C@H](C)c2ccoc2)CC1 ZINC000647316189 384217492 /nfs/dbraw/zinc/21/74/92/384217492.db2.gz UBCZXDOFVPJQGS-CYBMUJFWSA-N 1 0 241.334 3.928 20 0 BHADRO Cc1ccccc1C1([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000647316190 384216972 /nfs/dbraw/zinc/21/69/72/384216972.db2.gz UBCZXDOFVPJQGS-ZDUSSCGKSA-N 1 0 241.334 3.928 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccc1)CC(F)F ZINC000647317000 384233961 /nfs/dbraw/zinc/23/39/61/384233961.db2.gz BMLLAJWEGMRBAM-GHMZBOCLSA-N 1 0 227.298 3.629 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)CC(F)F ZINC000647317001 384233082 /nfs/dbraw/zinc/23/30/82/384233082.db2.gz BMLLAJWEGMRBAM-MNOVXSKESA-N 1 0 227.298 3.629 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)CC(F)F ZINC000647317002 384233882 /nfs/dbraw/zinc/23/38/82/384233882.db2.gz BMLLAJWEGMRBAM-QWRGUYRKSA-N 1 0 227.298 3.629 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccccc1 ZINC000647317003 384233618 /nfs/dbraw/zinc/23/36/18/384233618.db2.gz BMLLAJWEGMRBAM-WDEREUQCSA-N 1 0 227.298 3.629 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)Cc1cccs1)CC(F)F ZINC000647317062 384232585 /nfs/dbraw/zinc/23/25/85/384232585.db2.gz DOXPGOLSDYTDBZ-NXEZZACHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)Cc1cccs1)CC(F)F ZINC000647317063 384233708 /nfs/dbraw/zinc/23/37/08/384233708.db2.gz DOXPGOLSDYTDBZ-UWVGGRQHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](C)CC(F)F ZINC000647317064 384234101 /nfs/dbraw/zinc/23/41/01/384234101.db2.gz DOXPGOLSDYTDBZ-VHSXEESVSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1cccs1)CC(F)F ZINC000647317065 384234888 /nfs/dbraw/zinc/23/48/88/384234888.db2.gz DOXPGOLSDYTDBZ-ZJUUUORDSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccc(F)c1)CC(F)F ZINC000647317098 384236220 /nfs/dbraw/zinc/23/62/20/384236220.db2.gz FAGBCUNEUHRAMA-NXEZZACHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)CC(F)F ZINC000647317099 384236841 /nfs/dbraw/zinc/23/68/41/384236841.db2.gz FAGBCUNEUHRAMA-UWVGGRQHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(F)c1 ZINC000647317100 384237122 /nfs/dbraw/zinc/23/71/22/384237122.db2.gz FAGBCUNEUHRAMA-VHSXEESVSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)CC(F)F ZINC000647317101 384237269 /nfs/dbraw/zinc/23/72/69/384237269.db2.gz FAGBCUNEUHRAMA-ZJUUUORDSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1)CC(F)F ZINC000647317131 384236320 /nfs/dbraw/zinc/23/63/20/384236320.db2.gz GHTKJQJQJYWSCF-NXEZZACHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)CC(F)F ZINC000647317132 384236694 /nfs/dbraw/zinc/23/66/94/384236694.db2.gz GHTKJQJQJYWSCF-UWVGGRQHSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(F)cc1 ZINC000647317133 384235215 /nfs/dbraw/zinc/23/52/15/384235215.db2.gz GHTKJQJQJYWSCF-VHSXEESVSA-N 1 0 245.288 3.768 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)CC(F)F ZINC000647317134 384236430 /nfs/dbraw/zinc/23/64/30/384236430.db2.gz GHTKJQJQJYWSCF-ZJUUUORDSA-N 1 0 245.288 3.768 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)cc1 ZINC000647317229 384235206 /nfs/dbraw/zinc/23/52/06/384235206.db2.gz IKYJJDCEEPAUDB-NEPJUHHUSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)cc1 ZINC000647317230 384236663 /nfs/dbraw/zinc/23/66/63/384236663.db2.gz IKYJJDCEEPAUDB-NWDGAFQWSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)cc1 ZINC000647317231 384236805 /nfs/dbraw/zinc/23/68/05/384236805.db2.gz IKYJJDCEEPAUDB-RYUDHWBXSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)cc1 ZINC000647317232 384236912 /nfs/dbraw/zinc/23/69/12/384236912.db2.gz IKYJJDCEEPAUDB-VXGBXAGGSA-N 1 0 241.325 3.937 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCCCC1)CC(F)F ZINC000647317290 384236200 /nfs/dbraw/zinc/23/62/00/384236200.db2.gz KFIIQMHSPIYTIU-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)CC(F)F ZINC000647317291 384236003 /nfs/dbraw/zinc/23/60/03/384236003.db2.gz KFIIQMHSPIYTIU-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)CC(F)F ZINC000647317292 384235877 /nfs/dbraw/zinc/23/58/77/384235877.db2.gz KFIIQMHSPIYTIU-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1CCCCC1 ZINC000647317293 384237072 /nfs/dbraw/zinc/23/70/72/384237072.db2.gz KFIIQMHSPIYTIU-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317320 384238800 /nfs/dbraw/zinc/23/88/00/384238800.db2.gz LHWGYISJBIZEOJ-PSASIEDQSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317321 384237779 /nfs/dbraw/zinc/23/77/79/384237779.db2.gz LHWGYISJBIZEOJ-SCZZXKLOSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317322 384237774 /nfs/dbraw/zinc/23/77/74/384237774.db2.gz LHWGYISJBIZEOJ-WCBMZHEXSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317323 384238720 /nfs/dbraw/zinc/23/87/20/384238720.db2.gz LHWGYISJBIZEOJ-WPRPVWTQSA-N 1 0 247.354 3.998 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccs1)CC(F)F ZINC000647317366 384236848 /nfs/dbraw/zinc/23/68/48/384236848.db2.gz MRQXHOKAWPNBHL-BDAKNGLRSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccs1 ZINC000647317367 384236070 /nfs/dbraw/zinc/23/60/70/384236070.db2.gz MRQXHOKAWPNBHL-DTWKUNHWSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccs1)CC(F)F ZINC000647317368 384236906 /nfs/dbraw/zinc/23/69/06/384236906.db2.gz MRQXHOKAWPNBHL-IUCAKERBSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccs1)CC(F)F ZINC000647317369 384235997 /nfs/dbraw/zinc/23/59/97/384235997.db2.gz MRQXHOKAWPNBHL-RKDXNWHRSA-N 1 0 233.327 3.690 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317398 384237882 /nfs/dbraw/zinc/23/78/82/384237882.db2.gz NFFNVUAZHITBBD-CMPLNLGQSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317399 384239484 /nfs/dbraw/zinc/23/94/84/384239484.db2.gz NFFNVUAZHITBBD-JQWIXIFHSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317400 384239096 /nfs/dbraw/zinc/23/90/96/384239096.db2.gz NFFNVUAZHITBBD-PWSUYJOCSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317401 384239646 /nfs/dbraw/zinc/23/96/46/384239646.db2.gz NFFNVUAZHITBBD-ZYHUDNBSSA-N 1 0 241.325 3.937 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)CC(F)F ZINC000647317478 384239100 /nfs/dbraw/zinc/23/91/00/384239100.db2.gz PBNDUFZNCOSGSE-GHMZBOCLSA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)CC(F)F ZINC000647317479 384237804 /nfs/dbraw/zinc/23/78/04/384237804.db2.gz PBNDUFZNCOSGSE-MNOVXSKESA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)CC(F)F ZINC000647317480 384239065 /nfs/dbraw/zinc/23/90/65/384239065.db2.gz PBNDUFZNCOSGSE-QWRGUYRKSA-N 1 0 221.335 3.836 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)CC(F)F ZINC000647317481 384237838 /nfs/dbraw/zinc/23/78/38/384237838.db2.gz PBNDUFZNCOSGSE-WDEREUQCSA-N 1 0 221.335 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCc2ccccc21)CC(F)F ZINC000647317482 384237846 /nfs/dbraw/zinc/23/78/46/384237846.db2.gz PDRIPXYHOGDCHF-GWCFXTLKSA-N 1 0 239.309 3.555 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)CC(F)F ZINC000647317483 384238733 /nfs/dbraw/zinc/23/87/33/384238733.db2.gz PDRIPXYHOGDCHF-GXFFZTMASA-N 1 0 239.309 3.555 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)CC(F)F ZINC000647317484 384238815 /nfs/dbraw/zinc/23/88/15/384238815.db2.gz PDRIPXYHOGDCHF-MFKMUULPSA-N 1 0 239.309 3.555 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)CC(F)F ZINC000647317485 384238443 /nfs/dbraw/zinc/23/84/43/384238443.db2.gz PDRIPXYHOGDCHF-ZWNOBZJWSA-N 1 0 239.309 3.555 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)o1 ZINC000647317486 384239060 /nfs/dbraw/zinc/23/90/60/384239060.db2.gz PHCVNNBXCWFOKM-PSASIEDQSA-N 1 0 231.286 3.530 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)o1 ZINC000647317487 384238670 /nfs/dbraw/zinc/23/86/70/384238670.db2.gz PHCVNNBXCWFOKM-SCZZXKLOSA-N 1 0 231.286 3.530 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)o1 ZINC000647317488 384238737 /nfs/dbraw/zinc/23/87/37/384238737.db2.gz PHCVNNBXCWFOKM-WCBMZHEXSA-N 1 0 231.286 3.530 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)o1 ZINC000647317489 384238243 /nfs/dbraw/zinc/23/82/43/384238243.db2.gz PHCVNNBXCWFOKM-WPRPVWTQSA-N 1 0 231.286 3.530 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317516 384238697 /nfs/dbraw/zinc/23/86/97/384238697.db2.gz RACJXLPIKXDEMO-GHMZBOCLSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647317517 384237891 /nfs/dbraw/zinc/23/78/91/384237891.db2.gz RACJXLPIKXDEMO-MNOVXSKESA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317518 384237998 /nfs/dbraw/zinc/23/79/98/384237998.db2.gz RACJXLPIKXDEMO-QWRGUYRKSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647317519 384239638 /nfs/dbraw/zinc/23/96/38/384239638.db2.gz RACJXLPIKXDEMO-WDEREUQCSA-N 1 0 221.335 3.692 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](C)CC(F)F ZINC000647317556 384236414 /nfs/dbraw/zinc/23/64/14/384236414.db2.gz RVEORSRRCOFFHB-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](C)CC(F)F ZINC000647317557 384235870 /nfs/dbraw/zinc/23/58/70/384235870.db2.gz RVEORSRRCOFFHB-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000647317675 398341017 /nfs/dbraw/zinc/34/10/17/398341017.db2.gz VTIBXMSDQPBWER-NEPJUHHUSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000647317676 398341011 /nfs/dbraw/zinc/34/10/11/398341011.db2.gz VTIBXMSDQPBWER-NWDGAFQWSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000647317677 398341012 /nfs/dbraw/zinc/34/10/12/398341012.db2.gz VTIBXMSDQPBWER-RYUDHWBXSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000647317678 398341032 /nfs/dbraw/zinc/34/10/32/398341032.db2.gz VTIBXMSDQPBWER-VXGBXAGGSA-N 1 0 241.325 3.937 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)s1 ZINC000647317739 384238375 /nfs/dbraw/zinc/23/83/75/384238375.db2.gz WYIZLDGXTLSHIS-PSASIEDQSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)s1 ZINC000647317740 384238858 /nfs/dbraw/zinc/23/88/58/384238858.db2.gz WYIZLDGXTLSHIS-SCZZXKLOSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)s1 ZINC000647317741 384239009 /nfs/dbraw/zinc/23/90/09/384239009.db2.gz WYIZLDGXTLSHIS-WCBMZHEXSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)s1 ZINC000647317742 384238190 /nfs/dbraw/zinc/23/81/90/384238190.db2.gz WYIZLDGXTLSHIS-WPRPVWTQSA-N 1 0 247.354 3.998 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)CC(F)F ZINC000647317775 384241918 /nfs/dbraw/zinc/24/19/18/384241918.db2.gz YCIWJASRKJGRHO-BDAKNGLRSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccsc1 ZINC000647317776 384240993 /nfs/dbraw/zinc/24/09/93/384240993.db2.gz YCIWJASRKJGRHO-DTWKUNHWSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccsc1)CC(F)F ZINC000647317777 384240873 /nfs/dbraw/zinc/24/08/73/384240873.db2.gz YCIWJASRKJGRHO-IUCAKERBSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccsc1)CC(F)F ZINC000647317778 384241879 /nfs/dbraw/zinc/24/18/79/384241879.db2.gz YCIWJASRKJGRHO-RKDXNWHRSA-N 1 0 233.327 3.690 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)CC(F)F ZINC000647317955 384244222 /nfs/dbraw/zinc/24/42/22/384244222.db2.gz AKUVMYSONSPNGK-CYZMBNFOSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)CC(F)F ZINC000647317956 384242935 /nfs/dbraw/zinc/24/29/35/384242935.db2.gz AKUVMYSONSPNGK-DRZSPHRISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)CC(F)F ZINC000647317957 384243644 /nfs/dbraw/zinc/24/36/44/384243644.db2.gz AKUVMYSONSPNGK-UHTWSYAYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)CC(F)F ZINC000647317958 384243809 /nfs/dbraw/zinc/24/38/09/384243809.db2.gz AKUVMYSONSPNGK-WCFLWFBJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)CC(F)F ZINC000647317995 384244028 /nfs/dbraw/zinc/24/40/28/384244028.db2.gz CJBXLYILORRNAZ-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CC(F)F ZINC000647317996 384243543 /nfs/dbraw/zinc/24/35/43/384243543.db2.gz CJBXLYILORRNAZ-DCQANWLSSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)CC(F)F ZINC000647317997 384243942 /nfs/dbraw/zinc/24/39/42/384243942.db2.gz CJBXLYILORRNAZ-HBNTYKKESA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CC(F)F ZINC000647317998 384245166 /nfs/dbraw/zinc/24/51/66/384245166.db2.gz CJBXLYILORRNAZ-MEWQQHAOSA-N 1 0 233.346 3.692 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c(C)o1 ZINC000647318023 384244589 /nfs/dbraw/zinc/24/45/89/384244589.db2.gz CVTMANOIOIYHMT-PSASIEDQSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)CC(F)F)c(C)o1 ZINC000647318024 384244324 /nfs/dbraw/zinc/24/43/24/384244324.db2.gz CVTMANOIOIYHMT-SCZZXKLOSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c(C)o1 ZINC000647318025 384243490 /nfs/dbraw/zinc/24/34/90/384243490.db2.gz CVTMANOIOIYHMT-WCBMZHEXSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c(C)o1 ZINC000647318026 384242904 /nfs/dbraw/zinc/24/29/04/384242904.db2.gz CVTMANOIOIYHMT-WPRPVWTQSA-N 1 0 245.313 3.838 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647318027 384245123 /nfs/dbraw/zinc/24/51/23/384245123.db2.gz CXWPXQHVJQUQFT-QJPTWQEYSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647318028 384244976 /nfs/dbraw/zinc/24/49/76/384244976.db2.gz CXWPXQHVJQUQFT-SDDRHHMPSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647318029 384243510 /nfs/dbraw/zinc/24/35/10/384243510.db2.gz CXWPXQHVJQUQFT-SRVKXCTJSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647318030 384244928 /nfs/dbraw/zinc/24/49/28/384244928.db2.gz CXWPXQHVJQUQFT-TUAOUCFPSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CC1CCCC1)CC(F)F ZINC000647318095 398340967 /nfs/dbraw/zinc/34/09/67/398340967.db2.gz GBYFYTJGUVXAIM-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC1CCCC1)CC(F)F ZINC000647318096 398341019 /nfs/dbraw/zinc/34/10/19/398341019.db2.gz GBYFYTJGUVXAIM-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC1CCCC1)CC(F)F ZINC000647318097 398341004 /nfs/dbraw/zinc/34/10/04/398341004.db2.gz GBYFYTJGUVXAIM-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](C)CC(F)F ZINC000647318098 398340986 /nfs/dbraw/zinc/34/09/86/398340986.db2.gz GBYFYTJGUVXAIM-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)CC(F)F ZINC000647318239 384245179 /nfs/dbraw/zinc/24/51/79/384245179.db2.gz KEOLLBFEURQCQC-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)CC(F)F ZINC000647318240 384244559 /nfs/dbraw/zinc/24/45/59/384244559.db2.gz KEOLLBFEURQCQC-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)CC(F)F ZINC000647318241 384243242 /nfs/dbraw/zinc/24/32/42/384243242.db2.gz KEOLLBFEURQCQC-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)CC(F)F ZINC000647318242 384243924 /nfs/dbraw/zinc/24/39/24/384243924.db2.gz KEOLLBFEURQCQC-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)o1 ZINC000647318273 384249067 /nfs/dbraw/zinc/24/90/67/384249067.db2.gz KVDLTHZLXJELEM-NXEZZACHSA-N 1 0 245.313 3.784 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)o1 ZINC000647318274 384249169 /nfs/dbraw/zinc/24/91/69/384249169.db2.gz KVDLTHZLXJELEM-UWVGGRQHSA-N 1 0 245.313 3.784 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)o1 ZINC000647318275 384249600 /nfs/dbraw/zinc/24/96/00/384249600.db2.gz KVDLTHZLXJELEM-VHSXEESVSA-N 1 0 245.313 3.784 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)o1 ZINC000647318276 384249945 /nfs/dbraw/zinc/24/99/45/384249945.db2.gz KVDLTHZLXJELEM-ZJUUUORDSA-N 1 0 245.313 3.784 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)Cc1ccsc1)CC(F)F ZINC000647318561 384246640 /nfs/dbraw/zinc/24/66/40/384246640.db2.gz SWRXWUTZTQMLOP-NXEZZACHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)Cc1ccsc1)CC(F)F ZINC000647318562 384246961 /nfs/dbraw/zinc/24/69/61/384246961.db2.gz SWRXWUTZTQMLOP-UWVGGRQHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)CC(F)F ZINC000647318563 384246505 /nfs/dbraw/zinc/24/65/05/384246505.db2.gz SWRXWUTZTQMLOP-VHSXEESVSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1ccsc1)CC(F)F ZINC000647318564 384247148 /nfs/dbraw/zinc/24/71/48/384247148.db2.gz SWRXWUTZTQMLOP-ZJUUUORDSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)CC(F)F ZINC000647318945 384255159 /nfs/dbraw/zinc/25/51/59/384255159.db2.gz GAEIEGPYOIQWEH-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCCC2)CC(F)F ZINC000647318946 384255979 /nfs/dbraw/zinc/25/59/79/384255979.db2.gz GAEIEGPYOIQWEH-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCCC2)CC(F)F ZINC000647318947 384255123 /nfs/dbraw/zinc/25/51/23/384255123.db2.gz GAEIEGPYOIQWEH-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCCC2)CC(F)F ZINC000647318948 384255160 /nfs/dbraw/zinc/25/51/60/384255160.db2.gz GAEIEGPYOIQWEH-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)CC(F)F ZINC000647318987 384255650 /nfs/dbraw/zinc/25/56/50/384255650.db2.gz IAVBSEGCKMTAKD-CYZMBNFOSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C1CC1)CC(F)F ZINC000647318988 384256076 /nfs/dbraw/zinc/25/60/76/384256076.db2.gz IAVBSEGCKMTAKD-DRZSPHRISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C1CC1)CC(F)F ZINC000647318989 384256264 /nfs/dbraw/zinc/25/62/64/384256264.db2.gz IAVBSEGCKMTAKD-UHTWSYAYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C1CC1)CC(F)F ZINC000647318990 384255873 /nfs/dbraw/zinc/25/58/73/384255873.db2.gz IAVBSEGCKMTAKD-WCFLWFBJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)CC(F)F ZINC000647319053 384255917 /nfs/dbraw/zinc/25/59/17/384255917.db2.gz KKBUBUFTIUWXTC-FIQHERPVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)CC(F)F ZINC000647319054 384255071 /nfs/dbraw/zinc/25/50/71/384255071.db2.gz KKBUBUFTIUWXTC-IRCOFANPSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)CC(F)F ZINC000647319055 384255022 /nfs/dbraw/zinc/25/50/22/384255022.db2.gz KKBUBUFTIUWXTC-NNYUYHANSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)CC(F)F ZINC000647319056 384255190 /nfs/dbraw/zinc/25/51/90/384255190.db2.gz KKBUBUFTIUWXTC-WHOHXGKFSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)CC(F)F ZINC000647319142 384255366 /nfs/dbraw/zinc/25/53/66/384255366.db2.gz NHYFSARNSQHGFC-FIQHERPVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)CC(F)F ZINC000647319143 384255189 /nfs/dbraw/zinc/25/51/89/384255189.db2.gz NHYFSARNSQHGFC-NNYUYHANSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)CC(F)F ZINC000647319144 384255228 /nfs/dbraw/zinc/25/52/28/384255228.db2.gz NHYFSARNSQHGFC-NOOOWODRSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)CC(F)F ZINC000647319145 384256107 /nfs/dbraw/zinc/25/61/07/384256107.db2.gz NHYFSARNSQHGFC-WRWGMCAJSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCc2occc21)CC(F)F ZINC000647319156 384255989 /nfs/dbraw/zinc/25/59/89/384255989.db2.gz OPLGBXLNQZLDIW-GXSJLCMTSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCc2occc21)CC(F)F ZINC000647319157 384255907 /nfs/dbraw/zinc/25/59/07/384255907.db2.gz OPLGBXLNQZLDIW-KOLCDFICSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCc2occc21)CC(F)F ZINC000647319158 384255153 /nfs/dbraw/zinc/25/51/53/384255153.db2.gz OPLGBXLNQZLDIW-MWLCHTKSSA-N 1 0 243.297 3.538 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCc2occc21)CC(F)F ZINC000647319159 384255005 /nfs/dbraw/zinc/25/50/05/384255005.db2.gz OPLGBXLNQZLDIW-ONGXEEELSA-N 1 0 243.297 3.538 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(F)F ZINC000647319164 384255510 /nfs/dbraw/zinc/25/55/10/384255510.db2.gz OSDVRNGJAHDCRZ-IJLUTSLNSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647319165 384255611 /nfs/dbraw/zinc/25/56/11/384255611.db2.gz OSDVRNGJAHDCRZ-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647319166 384255145 /nfs/dbraw/zinc/25/51/45/384255145.db2.gz OSDVRNGJAHDCRZ-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CC(F)F ZINC000647319167 384255047 /nfs/dbraw/zinc/25/50/47/384255047.db2.gz OSDVRNGJAHDCRZ-UTUOFQBUSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)CC(F)F ZINC000647319338 384258919 /nfs/dbraw/zinc/25/89/19/384258919.db2.gz WTQRAMPIPFHSDC-HTQZYQBOSA-N 1 0 247.251 3.598 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)CC(F)F ZINC000647319339 384257934 /nfs/dbraw/zinc/25/79/34/384257934.db2.gz WTQRAMPIPFHSDC-JGVFFNPUSA-N 1 0 247.251 3.598 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)CC(F)F ZINC000647319340 384258725 /nfs/dbraw/zinc/25/87/25/384258725.db2.gz WTQRAMPIPFHSDC-SFYZADRCSA-N 1 0 247.251 3.598 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)CC(F)F ZINC000647319341 384257915 /nfs/dbraw/zinc/25/79/15/384257915.db2.gz WTQRAMPIPFHSDC-YUMQZZPRSA-N 1 0 247.251 3.598 20 0 BHADRO C[C@H](C[NH2+]C(C1CCC1)C1CCC1)CC(F)F ZINC000647319494 384262592 /nfs/dbraw/zinc/26/25/92/384262592.db2.gz AWSIFKFZHGJSMX-JTQLQIEISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)CC(F)F ZINC000647319495 384263734 /nfs/dbraw/zinc/26/37/34/384263734.db2.gz AWSIFKFZHGJSMX-SNVBAGLBSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1CCCC1 ZINC000647319614 384264028 /nfs/dbraw/zinc/26/40/28/384264028.db2.gz FPMDBHQHKSIBFQ-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)C1CCCC1 ZINC000647319615 384263576 /nfs/dbraw/zinc/26/35/76/384263576.db2.gz FPMDBHQHKSIBFQ-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)F)C1CCCC1 ZINC000647319616 384264955 /nfs/dbraw/zinc/26/49/55/384264955.db2.gz FPMDBHQHKSIBFQ-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)CC(F)F)C1CCCC1 ZINC000647319617 384264617 /nfs/dbraw/zinc/26/46/17/384264617.db2.gz FPMDBHQHKSIBFQ-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)CC(F)F ZINC000647319644 384263380 /nfs/dbraw/zinc/26/33/80/384263380.db2.gz GOGOFQLBMYGQKC-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)CC(F)F ZINC000647319645 384264681 /nfs/dbraw/zinc/26/46/81/384264681.db2.gz GOGOFQLBMYGQKC-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CCCC2)CC(F)F ZINC000647319646 384262759 /nfs/dbraw/zinc/26/27/59/384262759.db2.gz GOGOFQLBMYGQKC-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)CC(F)F ZINC000647319647 384264381 /nfs/dbraw/zinc/26/43/81/384264381.db2.gz GOGOFQLBMYGQKC-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)cs1 ZINC000647319718 384263287 /nfs/dbraw/zinc/26/32/87/384263287.db2.gz IWASADSWCUOBOC-PSASIEDQSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)CC(F)F)cs1 ZINC000647319719 384263914 /nfs/dbraw/zinc/26/39/14/384263914.db2.gz IWASADSWCUOBOC-SCZZXKLOSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)cs1 ZINC000647319720 384263335 /nfs/dbraw/zinc/26/33/35/384263335.db2.gz IWASADSWCUOBOC-WCBMZHEXSA-N 1 0 247.354 3.998 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)cs1 ZINC000647319721 384264420 /nfs/dbraw/zinc/26/44/20/384264420.db2.gz IWASADSWCUOBOC-WPRPVWTQSA-N 1 0 247.354 3.998 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)[C@H]1CC1(C)C ZINC000647319868 384265884 /nfs/dbraw/zinc/26/58/84/384265884.db2.gz NQSAGPNNBLYVIT-AXFHLTTASA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CC1(C)C ZINC000647319869 384267724 /nfs/dbraw/zinc/26/77/24/384267724.db2.gz NQSAGPNNBLYVIT-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)F)[C@H]1CC1(C)C ZINC000647319870 384266517 /nfs/dbraw/zinc/26/65/17/384266517.db2.gz NQSAGPNNBLYVIT-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)CC(F)F)[C@@H]1CC1(C)C ZINC000647319872 384266656 /nfs/dbraw/zinc/26/66/56/384266656.db2.gz NQSAGPNNBLYVIT-VWYCJHECSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)CC(F)F ZINC000647319888 384266967 /nfs/dbraw/zinc/26/69/67/384266967.db2.gz OAYZBMAYEWPKHC-HZMBPMFUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)CC(F)F ZINC000647319890 384266790 /nfs/dbraw/zinc/26/67/90/384266790.db2.gz OAYZBMAYEWPKHC-IINYFYTJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)CC(F)F ZINC000647319891 384266147 /nfs/dbraw/zinc/26/61/47/384266147.db2.gz OAYZBMAYEWPKHC-QMTHXVAHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)CC(F)F ZINC000647319892 384265982 /nfs/dbraw/zinc/26/59/82/384265982.db2.gz OAYZBMAYEWPKHC-YGRLFVJLSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)oc1C ZINC000647319907 384265852 /nfs/dbraw/zinc/26/58/52/384265852.db2.gz OQJTVKOOJWKMOG-PSASIEDQSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H](C)CC(F)F)oc1C ZINC000647319908 384266484 /nfs/dbraw/zinc/26/64/84/384266484.db2.gz OQJTVKOOJWKMOG-SCZZXKLOSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)oc1C ZINC000647319909 384265819 /nfs/dbraw/zinc/26/58/19/384265819.db2.gz OQJTVKOOJWKMOG-WCBMZHEXSA-N 1 0 245.313 3.838 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)oc1C ZINC000647319910 384265997 /nfs/dbraw/zinc/26/59/97/384265997.db2.gz OQJTVKOOJWKMOG-WPRPVWTQSA-N 1 0 245.313 3.838 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647319922 384267595 /nfs/dbraw/zinc/26/75/95/384267595.db2.gz PFXZQWVPQYJMGO-NXEZZACHSA-N 1 0 221.335 3.692 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647319924 384266556 /nfs/dbraw/zinc/26/65/56/384266556.db2.gz PFXZQWVPQYJMGO-UWVGGRQHSA-N 1 0 221.335 3.692 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647319925 384266792 /nfs/dbraw/zinc/26/67/92/384266792.db2.gz PFXZQWVPQYJMGO-VHSXEESVSA-N 1 0 221.335 3.692 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647319926 384267239 /nfs/dbraw/zinc/26/72/39/384267239.db2.gz PFXZQWVPQYJMGO-ZJUUUORDSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)CC(F)F ZINC000647320016 384270900 /nfs/dbraw/zinc/27/09/00/384270900.db2.gz RVHFLBDAKGYSPM-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CCC2)CC(F)F ZINC000647320017 384268592 /nfs/dbraw/zinc/26/85/92/384268592.db2.gz RVHFLBDAKGYSPM-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CCC2)CC(F)F ZINC000647320018 384270376 /nfs/dbraw/zinc/27/03/76/384270376.db2.gz RVHFLBDAKGYSPM-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CCC2)CC(F)F ZINC000647320019 384269398 /nfs/dbraw/zinc/26/93/98/384269398.db2.gz RVHFLBDAKGYSPM-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1CCC1 ZINC000647320089 384266936 /nfs/dbraw/zinc/26/69/36/384266936.db2.gz WALDICHLSLCRLF-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CC(F)F)C1CCC1 ZINC000647320090 384265991 /nfs/dbraw/zinc/26/59/91/384265991.db2.gz WALDICHLSLCRLF-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CC(F)F)C1CCC1 ZINC000647320091 384267017 /nfs/dbraw/zinc/26/70/17/384267017.db2.gz WALDICHLSLCRLF-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)CC(F)F)C1CCC1 ZINC000647320092 384267833 /nfs/dbraw/zinc/26/78/33/384267833.db2.gz WALDICHLSLCRLF-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)CC(F)F ZINC000647320129 384270168 /nfs/dbraw/zinc/27/01/68/384270168.db2.gz XAANFHZHMCHYIW-AXFHLTTASA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)CC(F)F ZINC000647320130 384269986 /nfs/dbraw/zinc/26/99/86/384269986.db2.gz XAANFHZHMCHYIW-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)CC(F)F ZINC000647320131 384269094 /nfs/dbraw/zinc/26/90/94/384269094.db2.gz XAANFHZHMCHYIW-GARJFASQSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)CC(F)F ZINC000647320132 384268824 /nfs/dbraw/zinc/26/88/24/384268824.db2.gz XAANFHZHMCHYIW-HBNTYKKESA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)CC(F)F ZINC000647320163 384268902 /nfs/dbraw/zinc/26/89/02/384268902.db2.gz ZDUWQMGOJKTICT-FIQHERPVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)CC(F)F ZINC000647320164 384270505 /nfs/dbraw/zinc/27/05/05/384270505.db2.gz ZDUWQMGOJKTICT-NNYUYHANSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)CC(F)F ZINC000647320165 384270909 /nfs/dbraw/zinc/27/09/09/384270909.db2.gz ZDUWQMGOJKTICT-NOOOWODRSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C)CC(F)F ZINC000647320166 384269483 /nfs/dbraw/zinc/26/94/83/384269483.db2.gz ZDUWQMGOJKTICT-WRWGMCAJSA-N 1 0 233.346 3.692 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC1(COC)CC1 ZINC000647320432 384284687 /nfs/dbraw/zinc/28/46/87/384284687.db2.gz OZBQIFHKGVSLNY-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC1(COC)CC1 ZINC000647320433 384284993 /nfs/dbraw/zinc/28/49/93/384284993.db2.gz OZBQIFHKGVSLNY-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC1(COC)CC1 ZINC000647320434 384284640 /nfs/dbraw/zinc/28/46/40/384284640.db2.gz OZBQIFHKGVSLNY-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC1(COC)CC1 ZINC000647320435 384284909 /nfs/dbraw/zinc/28/49/09/384284909.db2.gz OZBQIFHKGVSLNY-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000647324649 384361467 /nfs/dbraw/zinc/36/14/67/384361467.db2.gz CMMLBFZSSCJFIW-UKRRQHHQSA-N 1 0 229.367 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000647324704 384362364 /nfs/dbraw/zinc/36/23/64/384362364.db2.gz DIKKWRAHELBYNE-BZUAXINKSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000647324705 384362379 /nfs/dbraw/zinc/36/23/79/384362379.db2.gz DIKKWRAHELBYNE-OAGGEKHMSA-N 1 0 241.378 3.712 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324796 384362334 /nfs/dbraw/zinc/36/23/34/384362334.db2.gz IQZJGQXTSWHUJD-DTZQCDIJSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324797 384362165 /nfs/dbraw/zinc/36/21/65/384362165.db2.gz IQZJGQXTSWHUJD-LCGIIJARSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324798 384362441 /nfs/dbraw/zinc/36/24/41/384362441.db2.gz IQZJGQXTSWHUJD-MIGQKNRLSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324799 384362034 /nfs/dbraw/zinc/36/20/34/384362034.db2.gz IQZJGQXTSWHUJD-XZDPQHSOSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000647324886 384362179 /nfs/dbraw/zinc/36/21/79/384362179.db2.gz MBFUTKLJOPFQLW-BZUAXINKSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000647324887 384362313 /nfs/dbraw/zinc/36/23/13/384362313.db2.gz MBFUTKLJOPFQLW-OAGGEKHMSA-N 1 0 229.367 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000647324908 410449499 /nfs/dbraw/zinc/44/94/99/410449499.db2.gz NCBOTIGPRHYTQV-MZBWOGCUSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000647324909 410448879 /nfs/dbraw/zinc/44/88/79/410448879.db2.gz NCBOTIGPRHYTQV-UTSKFRMZSA-N 1 0 241.378 3.568 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647325007 410451446 /nfs/dbraw/zinc/45/14/46/410451446.db2.gz RFMSBTUAYNMDNL-RBSFLKMASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CCC1 ZINC000647325456 384370013 /nfs/dbraw/zinc/37/00/13/384370013.db2.gz GTNJTLPJKPXWFO-APHBMKBZSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CCC1 ZINC000647325457 384370254 /nfs/dbraw/zinc/37/02/54/384370254.db2.gz GTNJTLPJKPXWFO-DAXOMENPSA-N 1 0 229.367 3.568 20 0 BHADRO COc1ccccc1C1([NH2+]C2CCCCC2)CC1 ZINC000647329219 384444444 /nfs/dbraw/zinc/44/44/44/384444444.db2.gz JFMDTSYLXJUEBT-UHFFFAOYSA-N 1 0 245.366 3.607 20 0 BHADRO CC1CC([NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC000647329259 384446237 /nfs/dbraw/zinc/44/62/37/384446237.db2.gz KDHMJFWJCYQBIF-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330910 384474120 /nfs/dbraw/zinc/47/41/20/384474120.db2.gz QKSJSOMAMURFQR-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330911 384473340 /nfs/dbraw/zinc/47/33/40/384473340.db2.gz QKSJSOMAMURFQR-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@@H](C)[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333021 398342297 /nfs/dbraw/zinc/34/22/97/398342297.db2.gz JQCBPDBJZLOILM-LLVKDONJSA-N 1 0 221.319 3.593 20 0 BHADRO CC[C@H](C)[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333022 398342314 /nfs/dbraw/zinc/34/23/14/398342314.db2.gz JQCBPDBJZLOILM-NSHDSACASA-N 1 0 221.319 3.593 20 0 BHADRO CC1CC([NH2+]C2(c3ccccc3F)CCC2)C1 ZINC000647333110 398342348 /nfs/dbraw/zinc/34/23/48/398342348.db2.gz MINBQUKWXJMNNA-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1 ZINC000647342578 384600693 /nfs/dbraw/zinc/60/06/93/384600693.db2.gz SOCRFMXMEZKUCH-AEGPPILISA-N 1 0 247.382 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1 ZINC000647342579 384601983 /nfs/dbraw/zinc/60/19/83/384601983.db2.gz SOCRFMXMEZKUCH-YUELXQCFSA-N 1 0 247.382 3.683 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1 ZINC000647348018 384615653 /nfs/dbraw/zinc/61/56/53/384615653.db2.gz BEOQSSFXTWPENU-LQKXBSAESA-N 1 0 244.382 3.538 20 0 BHADRO c1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000647348258 384614797 /nfs/dbraw/zinc/61/47/97/384614797.db2.gz OVOMDVBEFMHPLG-HPDBWDTBSA-N 1 0 241.378 3.711 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000647348426 384614822 /nfs/dbraw/zinc/61/48/22/384614822.db2.gz WUPWKKDTBQQOMA-RJZRQDKASA-N 1 0 249.423 3.847 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCC(F)CC2)o1 ZINC000647349143 384619256 /nfs/dbraw/zinc/61/92/56/384619256.db2.gz AIIQLLXGHPXLCU-HIFPTAJRSA-N 1 0 239.334 3.767 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCC(F)CC2)o1 ZINC000647349144 384620557 /nfs/dbraw/zinc/62/05/57/384620557.db2.gz AIIQLLXGHPXLCU-PNESKVBLSA-N 1 0 239.334 3.767 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349153 384620089 /nfs/dbraw/zinc/62/00/89/384620089.db2.gz AXNPNMQCYXJWSD-IALDZJHCSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349154 384619546 /nfs/dbraw/zinc/61/95/46/384619546.db2.gz AXNPNMQCYXJWSD-OKZRHMCRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349155 384618978 /nfs/dbraw/zinc/61/89/78/384618978.db2.gz AXNPNMQCYXJWSD-ZFDZMSFRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349156 384619833 /nfs/dbraw/zinc/61/98/33/384619833.db2.gz AXNPNMQCYXJWSD-ZSVAQUKISA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)C1CCCC1 ZINC000647349261 384620634 /nfs/dbraw/zinc/62/06/34/384620634.db2.gz HBKQJXVTXDXBRY-DCBWTQNWSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)C1CCCC1 ZINC000647349262 384619451 /nfs/dbraw/zinc/61/94/51/384619451.db2.gz HBKQJXVTXDXBRY-LKSINWNRSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccsc1 ZINC000647349274 384619610 /nfs/dbraw/zinc/61/96/10/384619610.db2.gz HJDMSEZOBBYBGR-XSRFYTQQSA-N 1 0 241.375 3.927 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)c1ccsc1 ZINC000647349275 384620208 /nfs/dbraw/zinc/62/02/08/384620208.db2.gz HJDMSEZOBBYBGR-ZBOXLXRLSA-N 1 0 241.375 3.927 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)c1cccs1 ZINC000647349293 384620816 /nfs/dbraw/zinc/62/08/16/384620816.db2.gz IQRVMKUNQPSHIV-UNXYVOJBSA-N 1 0 241.375 3.927 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)c1cccs1 ZINC000647349294 384620447 /nfs/dbraw/zinc/62/04/47/384620447.db2.gz IQRVMKUNQPSHIV-VOMCLLRMSA-N 1 0 241.375 3.927 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000647349435 384623623 /nfs/dbraw/zinc/62/36/23/384623623.db2.gz OZOUTAKGMBJARU-DNOWBOINSA-N 1 0 235.346 3.866 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000647349436 384621946 /nfs/dbraw/zinc/62/19/46/384621946.db2.gz OZOUTAKGMBJARU-OPFPJEHXSA-N 1 0 235.346 3.866 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)C(C)C ZINC000647349506 384622819 /nfs/dbraw/zinc/62/28/19/384622819.db2.gz SLTYGLVFTBDDPW-BPCQOVAHSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(F)CC1)C(C)C ZINC000647349507 384623733 /nfs/dbraw/zinc/62/37/33/384623733.db2.gz SLTYGLVFTBDDPW-WXRRBKDZSA-N 1 0 215.356 3.539 20 0 BHADRO FC1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000647349541 384621527 /nfs/dbraw/zinc/62/15/27/384621527.db2.gz VINUKPBIJIQJJI-LDZOIKDWSA-N 1 0 247.357 3.792 20 0 BHADRO FC1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000647349542 384621873 /nfs/dbraw/zinc/62/18/73/384621873.db2.gz VINUKPBIJIQJJI-PXCJXSSVSA-N 1 0 247.357 3.792 20 0 BHADRO CCCC[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349571 384623423 /nfs/dbraw/zinc/62/34/23/384623423.db2.gz YHVVZSHDENYVCJ-HIFPTAJRSA-N 1 0 215.356 3.683 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349572 384623413 /nfs/dbraw/zinc/62/34/13/384623413.db2.gz YHVVZSHDENYVCJ-PNESKVBLSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1CCC(F)CC1 ZINC000647349844 384619955 /nfs/dbraw/zinc/61/99/55/384619955.db2.gz IXFAKVAPTYDSAX-BPCQOVAHSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1CCC(F)CC1 ZINC000647349845 384618699 /nfs/dbraw/zinc/61/86/99/384618699.db2.gz IXFAKVAPTYDSAX-WXRRBKDZSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]([NH2+]CC1CCC(F)CC1)C(C)(C)C ZINC000647349890 384620113 /nfs/dbraw/zinc/62/01/13/384620113.db2.gz KMLMHROSJIMWSW-UNXYVOJBSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(F)CC1)C(C)(C)C ZINC000647349891 384618880 /nfs/dbraw/zinc/61/88/80/384618880.db2.gz KMLMHROSJIMWSW-VOMCLLRMSA-N 1 0 215.356 3.539 20 0 BHADRO FC1CCC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000647349901 384620154 /nfs/dbraw/zinc/62/01/54/384620154.db2.gz KRRACMYUQVZSHG-AXVKAWJUSA-N 1 0 239.378 3.683 20 0 BHADRO FC1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000647349902 384620129 /nfs/dbraw/zinc/62/01/29/384620129.db2.gz KRRACMYUQVZSHG-MOQPVCNJSA-N 1 0 239.378 3.683 20 0 BHADRO FC1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000647349903 384620378 /nfs/dbraw/zinc/62/03/78/384620378.db2.gz KRRACMYUQVZSHG-RIXNLZLZSA-N 1 0 239.378 3.683 20 0 BHADRO FC1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000647349904 384619180 /nfs/dbraw/zinc/61/91/80/384619180.db2.gz KRRACMYUQVZSHG-UZVIJOLCSA-N 1 0 239.378 3.683 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCC(F)CC1 ZINC000647349944 384620288 /nfs/dbraw/zinc/62/02/88/384620288.db2.gz MWZVYRZQVVBVFI-MLPRRRGUSA-N 1 0 239.378 3.683 20 0 BHADRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCC(F)CC1 ZINC000647349946 384620246 /nfs/dbraw/zinc/62/02/46/384620246.db2.gz MWZVYRZQVVBVFI-PPJOZLOBSA-N 1 0 239.378 3.683 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1CCC(F)CC1 ZINC000647349962 384618948 /nfs/dbraw/zinc/61/89/48/384618948.db2.gz NVMPGDMLTNKFDM-LMWSTFAQSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1CCC(F)CC1 ZINC000647349963 384618707 /nfs/dbraw/zinc/61/87/07/384618707.db2.gz NVMPGDMLTNKFDM-XGNXJENSSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1CCC(F)CC1 ZINC000647350015 384620544 /nfs/dbraw/zinc/62/05/44/384620544.db2.gz QKJRNNDZJBSKSS-LMWSTFAQSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1CCC(F)CC1 ZINC000647350016 384620582 /nfs/dbraw/zinc/62/05/82/384620582.db2.gz QKJRNNDZJBSKSS-XGNXJENSSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCC(F)CC1)C1CC1 ZINC000647350065 384619107 /nfs/dbraw/zinc/61/91/07/384619107.db2.gz UFRMVHJMUPYSBE-UBHUBRDASA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCC(F)CC1)C1CC1 ZINC000647350066 384619558 /nfs/dbraw/zinc/61/95/58/384619558.db2.gz UFRMVHJMUPYSBE-UXUKBGGZSA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)C1CC([NH2+]CC2CCC(F)CC2)C1 ZINC000647350139 384621594 /nfs/dbraw/zinc/62/15/94/384621594.db2.gz XHEKJBLPGKMYKB-UHFFFAOYSA-N 1 0 227.367 3.539 20 0 BHADRO FC1CCC(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000647350164 384619890 /nfs/dbraw/zinc/61/98/90/384619890.db2.gz YANNROOMJXDKGD-JXQTWKCFSA-N 1 0 239.378 3.827 20 0 BHADRO FC1CCC(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000647350165 384620043 /nfs/dbraw/zinc/62/00/43/384620043.db2.gz YANNROOMJXDKGD-RUXDESIVSA-N 1 0 239.378 3.827 20 0 BHADRO FC1CCC(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000647350347 384624683 /nfs/dbraw/zinc/62/46/83/384624683.db2.gz KZABRBJUFRGZCY-KWCHVYNWSA-N 1 0 239.378 3.683 20 0 BHADRO FC1CCC(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000647350348 384626657 /nfs/dbraw/zinc/62/66/57/384626657.db2.gz KZABRBJUFRGZCY-WDIPEOLASA-N 1 0 239.378 3.683 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)[C@H]1C[C@@H]1C ZINC000647350422 384626431 /nfs/dbraw/zinc/62/64/31/384626431.db2.gz VHHOPQPMSFWJLA-ASUPZPJHSA-N 1 0 227.367 3.539 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)[C@@H]1C[C@H]1C ZINC000647350423 384626304 /nfs/dbraw/zinc/62/63/04/384626304.db2.gz VHHOPQPMSFWJLA-DQRRXLOISA-N 1 0 227.367 3.539 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)[C@H]1C[C@H]1C ZINC000647350424 384624877 /nfs/dbraw/zinc/62/48/77/384624877.db2.gz VHHOPQPMSFWJLA-JKZOPUQSSA-N 1 0 227.367 3.539 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)[C@@H]1C[C@@H]1C ZINC000647350425 384626039 /nfs/dbraw/zinc/62/60/39/384626039.db2.gz VHHOPQPMSFWJLA-MGYRSQIZSA-N 1 0 227.367 3.539 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(F)CC1)C1CCC1 ZINC000647350462 384625343 /nfs/dbraw/zinc/62/53/43/384625343.db2.gz YNVIMADNNRTDBX-UBHUBRDASA-N 1 0 227.367 3.683 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(F)CC1)C1CCC1 ZINC000647350463 384625697 /nfs/dbraw/zinc/62/56/97/384625697.db2.gz YNVIMADNNRTDBX-UXUKBGGZSA-N 1 0 227.367 3.683 20 0 BHADRO FC1CCC(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000647350481 384624907 /nfs/dbraw/zinc/62/49/07/384624907.db2.gz ZFFJTUFDSLNNBA-JXQTWKCFSA-N 1 0 239.378 3.827 20 0 BHADRO FC1CCC(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000647350482 384626583 /nfs/dbraw/zinc/62/65/83/384626583.db2.gz ZFFJTUFDSLNNBA-RUXDESIVSA-N 1 0 239.378 3.827 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647352212 384636790 /nfs/dbraw/zinc/63/67/90/384636790.db2.gz GIEUXWDLEXECQV-UMSGYPCISA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647352214 384636391 /nfs/dbraw/zinc/63/63/91/384636391.db2.gz GIEUXWDLEXECQV-ZDEQEGDKSA-N 1 0 209.377 3.589 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)oc1C ZINC000647353804 384640792 /nfs/dbraw/zinc/64/07/92/384640792.db2.gz BKONBXNDOCUCEC-DOERSZECSA-N 1 0 233.355 3.736 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)oc1C ZINC000647353805 384641184 /nfs/dbraw/zinc/64/11/84/384641184.db2.gz BKONBXNDOCUCEC-IGHBBLSQSA-N 1 0 233.355 3.736 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647354111 384641154 /nfs/dbraw/zinc/64/11/54/384641154.db2.gz FTPZACBUCSPUQF-JARUQAPTSA-N 1 0 239.378 3.683 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647354112 384640236 /nfs/dbraw/zinc/64/02/36/384640236.db2.gz FTPZACBUCSPUQF-LXFSFDBISA-N 1 0 239.378 3.683 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647354257 384641010 /nfs/dbraw/zinc/64/10/10/384641010.db2.gz HWQIFUNBTOKZAO-NMFUWQPSSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647354259 384641001 /nfs/dbraw/zinc/64/10/01/384641001.db2.gz HWQIFUNBTOKZAO-UQOMUDLDSA-N 1 0 249.423 3.847 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccnc1 ZINC000647354365 384641346 /nfs/dbraw/zinc/64/13/46/384641346.db2.gz JGBCLEITUGAYQL-HNKHHVNMSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccnc1 ZINC000647354366 384641250 /nfs/dbraw/zinc/64/12/50/384641250.db2.gz JGBCLEITUGAYQL-MIGQKNRLSA-N 1 0 244.382 3.701 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000647355153 384641165 /nfs/dbraw/zinc/64/11/65/384641165.db2.gz TUCHZAJQEVZMCP-MICYEWLZSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000647355155 384641267 /nfs/dbraw/zinc/64/12/67/384641267.db2.gz TUCHZAJQEVZMCP-XNYRDIBGSA-N 1 0 243.341 3.589 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647355768 384642260 /nfs/dbraw/zinc/64/22/60/384642260.db2.gz BRBALNJYMKYSGA-AAVRWANBSA-N 1 0 249.423 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647355769 384643279 /nfs/dbraw/zinc/64/32/79/384643279.db2.gz BRBALNJYMKYSGA-IGQOVBAYSA-N 1 0 249.423 3.847 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccccn1 ZINC000647355880 384643334 /nfs/dbraw/zinc/64/33/34/384643334.db2.gz DOVXYLWJPYJIKT-AYDFFVQHSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccn1 ZINC000647355882 384643293 /nfs/dbraw/zinc/64/32/93/384643293.db2.gz DOVXYLWJPYJIKT-KQTLUZQSSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)n1 ZINC000647356061 384643123 /nfs/dbraw/zinc/64/31/23/384643123.db2.gz HNTHQQGHDKVZIB-GBJTYRQASA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(C)n1 ZINC000647356063 384643315 /nfs/dbraw/zinc/64/33/15/384643315.db2.gz HNTHQQGHDKVZIB-ZQDZILKHSA-N 1 0 244.382 3.538 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000647356714 384644561 /nfs/dbraw/zinc/64/45/61/384644561.db2.gz QFZVCSLMUZRPGK-CAVOSLQRSA-N 1 0 245.341 3.591 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000647356717 384644740 /nfs/dbraw/zinc/64/47/40/384644740.db2.gz QFZVCSLMUZRPGK-ZNEHSRBWSA-N 1 0 245.341 3.591 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccnc1 ZINC000647356971 384644937 /nfs/dbraw/zinc/64/49/37/384644937.db2.gz UTTOBNUMGRBCOQ-HNKHHVNMSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccnc1 ZINC000647356972 384644789 /nfs/dbraw/zinc/64/47/89/384644789.db2.gz UTTOBNUMGRBCOQ-MIGQKNRLSA-N 1 0 244.382 3.557 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000647357107 384644717 /nfs/dbraw/zinc/64/47/17/384644717.db2.gz WSAVIRBFNPDIHP-UMSGYPCISA-N 1 0 233.355 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000647357109 384644695 /nfs/dbraw/zinc/64/46/95/384644695.db2.gz WSAVIRBFNPDIHP-ZDEQEGDKSA-N 1 0 233.355 3.681 20 0 BHADRO C1=C(CNc2ccc3c[nH+]ccc3c2)CCC1 ZINC000647625377 384988677 /nfs/dbraw/zinc/98/86/77/384988677.db2.gz HLMPNPNRZNKDPU-UHFFFAOYSA-N 1 0 224.307 3.757 20 0 BHADRO C[C@@H](Nc1[nH+]ccc2[nH]ccc21)c1ccccc1 ZINC000647844404 385895243 /nfs/dbraw/zinc/89/52/43/385895243.db2.gz AWRBEDBZAAEOOQ-LLVKDONJSA-N 1 0 237.306 3.736 20 0 BHADRO C[C@H](Nc1[nH+]ccc2[nH]ccc21)c1ccccc1 ZINC000647844405 385894515 /nfs/dbraw/zinc/89/45/15/385894515.db2.gz AWRBEDBZAAEOOQ-NSHDSACASA-N 1 0 237.306 3.736 20 0 BHADRO c1cc2c(cc[nH+]c2NCC2CCCCC2)[nH]1 ZINC000647845144 385896813 /nfs/dbraw/zinc/89/68/13/385896813.db2.gz RBDUNZZINVDDJP-UHFFFAOYSA-N 1 0 229.327 3.555 20 0 BHADRO c1cc2c(cc[nH+]c2NC2CCCCCC2)[nH]1 ZINC000647845480 385885486 /nfs/dbraw/zinc/88/54/86/385885486.db2.gz LTNMMRXDFXAUOX-UHFFFAOYSA-N 1 0 229.327 3.698 20 0 BHADRO C[C@H]1CCCC[C@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC000647845885 385887575 /nfs/dbraw/zinc/88/75/75/385887575.db2.gz DPUCPNFPHHTRDH-CMPLNLGQSA-N 1 0 229.327 3.554 20 0 BHADRO C[C@H]1CCCC[C@@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC000647845886 385887330 /nfs/dbraw/zinc/88/73/30/385887330.db2.gz DPUCPNFPHHTRDH-JQWIXIFHSA-N 1 0 229.327 3.554 20 0 BHADRO C[C@@H]1CCCC[C@@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC000647845887 385886742 /nfs/dbraw/zinc/88/67/42/385886742.db2.gz DPUCPNFPHHTRDH-PWSUYJOCSA-N 1 0 229.327 3.554 20 0 BHADRO C[C@@H]1CCCC[C@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC000647845888 385888113 /nfs/dbraw/zinc/88/81/13/385888113.db2.gz DPUCPNFPHHTRDH-ZYHUDNBSSA-N 1 0 229.327 3.554 20 0 BHADRO Cc1cc(OCc2ccc(F)cc2)c(C)c(C)[nH+]1 ZINC000647881472 397917083 /nfs/dbraw/zinc/91/70/83/397917083.db2.gz WSJJSBDLVFBBLU-UHFFFAOYSA-N 1 0 245.297 3.725 20 0 BHADRO Cc1cc(OCc2cccc(F)c2)c(C)c(C)[nH+]1 ZINC000647881819 386215719 /nfs/dbraw/zinc/21/57/19/386215719.db2.gz MTQCFRBOZXWBIO-UHFFFAOYSA-N 1 0 245.297 3.725 20 0 BHADRO C[C@H]([NH2+]C1(C)CCC1)[C@@H]1CC2CCC1CC2 ZINC000647908671 386775536 /nfs/dbraw/zinc/77/55/36/386775536.db2.gz LFCYQOISKYWXIH-ABXWRUBCSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)[C@H]1CC2CCC1CC2 ZINC000647908672 386776576 /nfs/dbraw/zinc/77/65/76/386776576.db2.gz LFCYQOISKYWXIH-BLYZHGLHSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@H]([NH2+]C1(C)CCC1)[C@H]1CC2CCC1CC2 ZINC000647908673 386776868 /nfs/dbraw/zinc/77/68/68/386776868.db2.gz LFCYQOISKYWXIH-GFJIZPEISA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)[C@@H]1CC2CCC1CC2 ZINC000647908674 386777199 /nfs/dbraw/zinc/77/71/99/386777199.db2.gz LFCYQOISKYWXIH-RYSNWHEDSA-N 1 0 221.388 3.733 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccncc1)C1CCCCC1 ZINC000647912378 385674713 /nfs/dbraw/zinc/67/47/13/385674713.db2.gz GFNAXPIHYWWQAG-AWEZNQCLSA-N 1 0 246.398 3.730 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccncc1)C1CCCCC1 ZINC000647912379 385676285 /nfs/dbraw/zinc/67/62/85/385676285.db2.gz GFNAXPIHYWWQAG-CQSZACIVSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1cc(C)c(C[NH+]2CC3(CC(F)C3)C2)c(C)c1 ZINC000647929696 386110589 /nfs/dbraw/zinc/11/05/89/386110589.db2.gz CZDIOTHQPWGZCF-UHFFFAOYSA-N 1 0 247.357 3.546 20 0 BHADRO CC1(C)CCC(C[NH+]2CC3(CC(F)C3)C2)CC1 ZINC000647929715 386112683 /nfs/dbraw/zinc/11/26/83/386112683.db2.gz DXMDKUNEASOJDX-UHFFFAOYSA-N 1 0 239.378 3.637 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)nsc1C ZINC000647956875 386698038 /nfs/dbraw/zinc/69/80/38/386698038.db2.gz NBTZXALSDRYHHJ-GFCCVEGCSA-N 1 0 238.400 3.524 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1c(C)nsc1C ZINC000647956876 386697596 /nfs/dbraw/zinc/69/75/96/386697596.db2.gz NBTZXALSDRYHHJ-LBPRGKRZSA-N 1 0 238.400 3.524 20 0 BHADRO Cc1nc(C[N@@H+]2CCC[C@H]2C2CCCCC2)co1 ZINC000647959717 386720443 /nfs/dbraw/zinc/72/04/43/386720443.db2.gz HTOLFAFYGAZCHT-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)co1 ZINC000647959718 386720471 /nfs/dbraw/zinc/72/04/71/386720471.db2.gz HTOLFAFYGAZCHT-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@H+](CC2CCCCC2)C2CC2)co1 ZINC000647959881 386720739 /nfs/dbraw/zinc/72/07/39/386720739.db2.gz SCQIXWIVDJHGDB-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@H+](CC2CC2)C2CCCCC2)co1 ZINC000647962045 386733947 /nfs/dbraw/zinc/73/39/47/386733947.db2.gz KJOVCVUWECRDCW-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H](F)C1)Cc1ccccc1 ZINC000648048725 491123505 /nfs/dbraw/zinc/12/35/05/491123505.db2.gz DECCHMGBJLBSJR-BPUTZDHNSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](F)C1)Cc1ccccc1 ZINC000648048726 491123514 /nfs/dbraw/zinc/12/35/14/491123514.db2.gz DECCHMGBJLBSJR-CWRNSKLLSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H](F)C1)Cc1ccccc1 ZINC000648048727 491123504 /nfs/dbraw/zinc/12/35/04/491123504.db2.gz DECCHMGBJLBSJR-IMJJTQAJSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](F)C1)Cc1ccccc1 ZINC000648048728 491123508 /nfs/dbraw/zinc/12/35/08/491123508.db2.gz DECCHMGBJLBSJR-NUEKZKHPSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)CC(F)F ZINC000648052199 386592932 /nfs/dbraw/zinc/59/29/32/386592932.db2.gz TZXSRNBKHNSTEB-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+]C1CC2(C1)CCCCC2)CC(F)F ZINC000648052200 386592557 /nfs/dbraw/zinc/59/25/57/386592557.db2.gz TZXSRNBKHNSTEB-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCCCC1)CC(F)F ZINC000648052472 386592826 /nfs/dbraw/zinc/59/28/26/386592826.db2.gz NHSZLOJSHLRJOS-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO C[C@H](C[NH2+]CCC1CCCCC1)CC(F)F ZINC000648052473 386592269 /nfs/dbraw/zinc/59/22/69/386592269.db2.gz NHSZLOJSHLRJOS-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@H](C)CC(F)F ZINC000648052483 386592735 /nfs/dbraw/zinc/59/27/35/386592735.db2.gz NOWGYCIHTLWXQV-GHMZBOCLSA-N 1 0 221.335 3.550 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)CC(F)F ZINC000648052484 386591898 /nfs/dbraw/zinc/59/18/98/386591898.db2.gz NOWGYCIHTLWXQV-MNOVXSKESA-N 1 0 221.335 3.550 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)CC(F)F ZINC000648052485 386592680 /nfs/dbraw/zinc/59/26/80/386592680.db2.gz NOWGYCIHTLWXQV-QWRGUYRKSA-N 1 0 221.335 3.550 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]C[C@H](C)CC(F)F ZINC000648052486 386591910 /nfs/dbraw/zinc/59/19/10/386591910.db2.gz NOWGYCIHTLWXQV-WDEREUQCSA-N 1 0 221.335 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)CC(F)F ZINC000648052575 386592082 /nfs/dbraw/zinc/59/20/82/386592082.db2.gz VXDXANAGDKJGPT-NXEZZACHSA-N 1 0 221.335 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)CC(F)F)C(C)(C)C ZINC000648052576 386592219 /nfs/dbraw/zinc/59/22/19/386592219.db2.gz VXDXANAGDKJGPT-UWVGGRQHSA-N 1 0 221.335 3.550 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)CC(F)F ZINC000648052577 386591855 /nfs/dbraw/zinc/59/18/55/386591855.db2.gz VXDXANAGDKJGPT-VHSXEESVSA-N 1 0 221.335 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)CC(F)F ZINC000648052578 386592630 /nfs/dbraw/zinc/59/26/30/386592630.db2.gz VXDXANAGDKJGPT-ZJUUUORDSA-N 1 0 221.335 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)c1ccccc1)CC(F)F ZINC000648052609 386592728 /nfs/dbraw/zinc/59/27/28/386592728.db2.gz YQEKCJOYUKURHI-NEPJUHHUSA-N 1 0 241.325 3.671 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)CC(F)F ZINC000648052610 386591770 /nfs/dbraw/zinc/59/17/70/386591770.db2.gz YQEKCJOYUKURHI-NWDGAFQWSA-N 1 0 241.325 3.671 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)CC(F)F)c1ccccc1 ZINC000648052611 386592719 /nfs/dbraw/zinc/59/27/19/386592719.db2.gz YQEKCJOYUKURHI-RYUDHWBXSA-N 1 0 241.325 3.671 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)CC(F)F ZINC000648052612 386591803 /nfs/dbraw/zinc/59/18/03/386591803.db2.gz YQEKCJOYUKURHI-VXGBXAGGSA-N 1 0 241.325 3.671 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](c2cccnc2)C1)C(C)(C)C ZINC000648052737 386593932 /nfs/dbraw/zinc/59/39/32/386593932.db2.gz DWBFNYKXAHHBIF-DZGCQCFKSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](c2cccnc2)C1)C(C)(C)C ZINC000648052738 386594033 /nfs/dbraw/zinc/59/40/33/386594033.db2.gz DWBFNYKXAHHBIF-HIFRSBDPSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](c2cccnc2)C1)C(C)(C)C ZINC000648052739 386594257 /nfs/dbraw/zinc/59/42/57/386594257.db2.gz DWBFNYKXAHHBIF-UKRRQHHQSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](c2cccnc2)C1)C(C)(C)C ZINC000648052740 386594309 /nfs/dbraw/zinc/59/43/09/386594309.db2.gz DWBFNYKXAHHBIF-ZFWWWQNUSA-N 1 0 246.398 3.553 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000648054658 386639167 /nfs/dbraw/zinc/63/91/67/386639167.db2.gz UBTGZNZCXCKXMN-GDBMZVCRSA-N 1 0 241.378 3.712 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000648054697 386637319 /nfs/dbraw/zinc/63/73/19/386637319.db2.gz ZFUJUNPMUCLONT-BRWVUGGUSA-N 1 0 241.378 3.879 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000648054698 386637825 /nfs/dbraw/zinc/63/78/25/386637825.db2.gz ZFUJUNPMUCLONT-IXDOHACOSA-N 1 0 241.378 3.879 20 0 BHADRO Cc1ccc(C[NH+]2CC(C)(CC(F)F)C2)s1 ZINC000648058293 386671656 /nfs/dbraw/zinc/67/16/56/386671656.db2.gz BZTRACYAACFGLQ-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO Cc1ccsc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648058557 386678270 /nfs/dbraw/zinc/67/82/70/386678270.db2.gz QMNVYZCVLKMUTB-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO CC1(CC(F)F)C[NH+](CC2CCCCC2)C1 ZINC000648058954 386674391 /nfs/dbraw/zinc/67/43/91/386674391.db2.gz MMBXKFWRULVXHM-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC1(CC(F)F)C[NH+](CCC2CCCCC2)C1 ZINC000648058971 386674330 /nfs/dbraw/zinc/67/43/30/386674330.db2.gz NGHXJKGHSXMFMW-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO Cc1cc(C[NH+]2CC(C)(CC(F)F)C2)cs1 ZINC000648059002 386676088 /nfs/dbraw/zinc/67/60/88/386676088.db2.gz QAEBQFPFXYSVER-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO CC(C)C[C@@H](C)C[NH+]1CC(C)(CC(F)F)C1 ZINC000648059005 386676322 /nfs/dbraw/zinc/67/63/22/386676322.db2.gz QGOFNGFMTIAYDE-LLVKDONJSA-N 1 0 233.346 3.646 20 0 BHADRO CC(C)C[C@H](C)C[NH+]1CC(C)(CC(F)F)C1 ZINC000648059006 386674093 /nfs/dbraw/zinc/67/40/93/386674093.db2.gz QGOFNGFMTIAYDE-NSHDSACASA-N 1 0 233.346 3.646 20 0 BHADRO Cc1sccc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648059092 386675746 /nfs/dbraw/zinc/67/57/46/386675746.db2.gz VZVSGANZNIDRNK-UHFFFAOYSA-N 1 0 245.338 3.534 20 0 BHADRO C[C@@H](C[NH+]1CC(C)(CC(F)F)C1)C(C)(C)C ZINC000648059150 386675142 /nfs/dbraw/zinc/67/51/42/386675142.db2.gz ZTPWJBJQSWAXMT-JTQLQIEISA-N 1 0 233.346 3.646 20 0 BHADRO C[C@H](C[NH+]1CC(C)(CC(F)F)C1)C(C)(C)C ZINC000648059151 386675160 /nfs/dbraw/zinc/67/51/60/386675160.db2.gz ZTPWJBJQSWAXMT-SNVBAGLBSA-N 1 0 233.346 3.646 20 0 BHADRO Cc1ccc(CCC[N@@H+](C)CCC(C)(C)C)cn1 ZINC000648059746 386685645 /nfs/dbraw/zinc/68/56/45/386685645.db2.gz HDNRCWFHYMWYAP-UHFFFAOYSA-N 1 0 248.414 3.691 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cc2cccnc2o1 ZINC000648059772 386686408 /nfs/dbraw/zinc/68/64/08/386686408.db2.gz ISUDHYRLAPHGNM-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000648070176 386776671 /nfs/dbraw/zinc/77/66/71/386776671.db2.gz FETRYUZGXCDLFV-UHFFFAOYSA-N 1 0 234.318 3.537 20 0 BHADRO C[N@H+](Cc1ccc2occc2c1)C(C)(C)C ZINC000648070188 386776318 /nfs/dbraw/zinc/77/63/18/386776318.db2.gz GRMSVXCRCRDEOZ-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO C[N@H+](Cc1coc2ccccc12)C(C)(C)C ZINC000648070214 386776517 /nfs/dbraw/zinc/77/65/17/386776517.db2.gz JKZPIQBVIFVDQE-UHFFFAOYSA-N 1 0 217.312 3.663 20 0 BHADRO C[N@H+](Cc1cscc1Cl)C(C)(C)C ZINC000648070275 386779644 /nfs/dbraw/zinc/77/96/44/386779644.db2.gz NCLCVGLEQJHVBT-UHFFFAOYSA-N 1 0 217.765 3.632 20 0 BHADRO CC(C)(C)CC[NH2+]CC1CCC(F)CC1 ZINC000648073267 386814672 /nfs/dbraw/zinc/81/46/72/386814672.db2.gz HCBKDBFGOVNECA-UHFFFAOYSA-N 1 0 215.356 3.541 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2CCC(F)CC2)CC1 ZINC000648073797 386828813 /nfs/dbraw/zinc/82/88/13/386828813.db2.gz WZJPLKBRBHRWSS-JXQTWKCFSA-N 1 0 225.351 3.603 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2CCC(F)CC2)CC1 ZINC000648073798 386827486 /nfs/dbraw/zinc/82/74/86/386827486.db2.gz WZJPLKBRBHRWSS-RUXDESIVSA-N 1 0 225.351 3.603 20 0 BHADRO C[C@@H]([NH2+]C1(CF)CCC1)c1cc2ccccc2o1 ZINC000648076311 387500818 /nfs/dbraw/zinc/50/08/18/387500818.db2.gz HMKWFYJFXHWZKY-LLVKDONJSA-N 1 0 247.313 3.976 20 0 BHADRO C[C@H]([NH2+]C1(CF)CCC1)c1cc2ccccc2o1 ZINC000648076312 387501694 /nfs/dbraw/zinc/50/16/94/387501694.db2.gz HMKWFYJFXHWZKY-NSHDSACASA-N 1 0 247.313 3.976 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000648076650 387501578 /nfs/dbraw/zinc/50/15/78/387501578.db2.gz CAKDXRUZSHLJMW-HHARLNAUSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000648076652 387501226 /nfs/dbraw/zinc/50/12/26/387501226.db2.gz CAKDXRUZSHLJMW-SIRPWMCASA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1SCC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000648076996 387503047 /nfs/dbraw/zinc/50/30/47/387503047.db2.gz VDOJORFJMPRPPH-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1SCC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000648076997 387503913 /nfs/dbraw/zinc/50/39/13/387503913.db2.gz VDOJORFJMPRPPH-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1SCC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000648076998 387503292 /nfs/dbraw/zinc/50/32/92/387503292.db2.gz VDOJORFJMPRPPH-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1SCC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000648076999 387503517 /nfs/dbraw/zinc/50/35/17/387503517.db2.gz VDOJORFJMPRPPH-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO Cc1ccc(C2CC([NH2+]C3(CF)CCC3)C2)cc1 ZINC000648077005 387503010 /nfs/dbraw/zinc/50/30/10/387503010.db2.gz VJOJGVYJMALJCF-UHFFFAOYSA-N 1 0 247.357 3.723 20 0 BHADRO Oc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000648077738 387506589 /nfs/dbraw/zinc/50/65/89/387506589.db2.gz FUHSOMUMAUIPNF-INIZCTEOSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000648077739 387506365 /nfs/dbraw/zinc/50/63/65/387506365.db2.gz FUHSOMUMAUIPNF-MRXNPFEDSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1cccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000648077993 387504728 /nfs/dbraw/zinc/50/47/28/387504728.db2.gz VFLHHNVUDHOIIU-INIZCTEOSA-N 1 0 245.366 3.547 20 0 BHADRO Oc1cccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000648077994 387508339 /nfs/dbraw/zinc/50/83/39/387508339.db2.gz VFLHHNVUDHOIIU-MRXNPFEDSA-N 1 0 245.366 3.547 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000648078009 387507522 /nfs/dbraw/zinc/50/75/22/387507522.db2.gz WBWLNEHAUYOYJJ-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1cnccc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000648078010 387508670 /nfs/dbraw/zinc/50/86/70/387508670.db2.gz WBWLNEHAUYOYJJ-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)cn1 ZINC000648078073 387506440 /nfs/dbraw/zinc/50/64/40/387506440.db2.gz ZDMLOLHQMUNVQB-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)cn1 ZINC000648078074 387506560 /nfs/dbraw/zinc/50/65/60/387506560.db2.gz ZDMLOLHQMUNVQB-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO c1ccc2c(c1)cccc2C[NH+]1C2CCC1CC2 ZINC000648211804 384866193 /nfs/dbraw/zinc/86/61/93/384866193.db2.gz HGEYUMOQBRTYIT-UHFFFAOYSA-N 1 0 237.346 3.967 20 0 BHADRO Cc1cnccc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000648348322 385302410 /nfs/dbraw/zinc/30/24/10/385302410.db2.gz GCGGQONEWSFVDC-UHFFFAOYSA-N 1 0 246.398 3.933 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccsc2)cs1 ZINC000648350891 385306406 /nfs/dbraw/zinc/30/64/06/385306406.db2.gz BBXKTLZFPRAUGC-UHFFFAOYSA-N 1 0 237.393 3.750 20 0 BHADRO Fc1cnccc1C[N@H+](C1CC1)C1CCCCC1 ZINC000648358513 385324720 /nfs/dbraw/zinc/32/47/20/385324720.db2.gz PZKILGILUVKPNO-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO Cc1cnccc1C[N@H+](C1CC1)C1CCCCC1 ZINC000648358538 385323785 /nfs/dbraw/zinc/32/37/85/385323785.db2.gz VRSQLEBIQVGWPG-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO Cc1cnccc1C[N@@H+](C(C)C)C1CCCC1 ZINC000648359293 385326492 /nfs/dbraw/zinc/32/64/92/385326492.db2.gz UKVLQDGDKHFBHI-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1csc(C)c1 ZINC000648366561 397804260 /nfs/dbraw/zinc/80/42/60/397804260.db2.gz SELGUHLROWPUQB-UHFFFAOYSA-N 1 0 235.352 3.672 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cs1 ZINC000648371751 385462808 /nfs/dbraw/zinc/46/28/08/385462808.db2.gz MQGQQVGMGDRWFW-CYBMUJFWSA-N 1 0 247.363 3.639 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)cs1 ZINC000648371752 385462503 /nfs/dbraw/zinc/46/25/03/385462503.db2.gz MQGQQVGMGDRWFW-ZDUSSCGKSA-N 1 0 247.363 3.639 20 0 BHADRO Clc1ccc(C[NH2+][C@@H]2CCCC23CCC3)o1 ZINC000648401249 385686803 /nfs/dbraw/zinc/68/68/03/385686803.db2.gz OKYJSZARJYWPDI-LLVKDONJSA-N 1 0 239.746 3.745 20 0 BHADRO Clc1ccc(C[NH2+][C@H]2CCCC23CCC3)o1 ZINC000648401250 385685608 /nfs/dbraw/zinc/68/56/08/385685608.db2.gz OKYJSZARJYWPDI-NSHDSACASA-N 1 0 239.746 3.745 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C[C@H](C)O1 ZINC000648412727 386765477 /nfs/dbraw/zinc/76/54/77/386765477.db2.gz WSKMQTVTKYDPQK-NHAGDIPZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)CCO1 ZINC000648446866 387036719 /nfs/dbraw/zinc/03/67/19/387036719.db2.gz DRZFLARJRWMEST-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1C[C@H]([NH2+]CCCCC(C)(C)C)CCO1 ZINC000648446876 387036886 /nfs/dbraw/zinc/03/68/86/387036886.db2.gz DRZFLARJRWMEST-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)CCO1 ZINC000648446877 387036249 /nfs/dbraw/zinc/03/62/49/387036249.db2.gz DRZFLARJRWMEST-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+]CCCCC(C)(C)C)CCO1 ZINC000648446878 387035776 /nfs/dbraw/zinc/03/57/76/387035776.db2.gz DRZFLARJRWMEST-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)c1cc(C[NH2+][C@H]2CCCC23CCC3)on1 ZINC000648452124 387045962 /nfs/dbraw/zinc/04/59/62/387045962.db2.gz HIYGBGPZXUZYLT-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CC(C)c1cc(C[NH2+][C@@H]2CCCC23CCC3)on1 ZINC000648452125 387045553 /nfs/dbraw/zinc/04/55/53/387045553.db2.gz HIYGBGPZXUZYLT-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000648466018 387352933 /nfs/dbraw/zinc/35/29/33/387352933.db2.gz GWNHJRMCYRFKPN-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000648466019 387352369 /nfs/dbraw/zinc/35/23/69/387352369.db2.gz GWNHJRMCYRFKPN-HLPPOEQASA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000648466020 387352995 /nfs/dbraw/zinc/35/29/95/387352995.db2.gz GWNHJRMCYRFKPN-HOSILWTGSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000648466021 387351874 /nfs/dbraw/zinc/35/18/74/387351874.db2.gz GWNHJRMCYRFKPN-ORIJERBGSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)C1CCCC1 ZINC000648466164 387351816 /nfs/dbraw/zinc/35/18/16/387351816.db2.gz UQKYATUGIKAUNT-BBRMVZONSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)C1CCCC1 ZINC000648466165 387352167 /nfs/dbraw/zinc/35/21/67/387352167.db2.gz UQKYATUGIKAUNT-CJNGLKHVSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CCCC1 ZINC000648466166 387353132 /nfs/dbraw/zinc/35/31/32/387353132.db2.gz UQKYATUGIKAUNT-CZUORRHYSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)C1CCCC1 ZINC000648466167 387351759 /nfs/dbraw/zinc/35/17/59/387351759.db2.gz UQKYATUGIKAUNT-XJKSGUPXSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+]C1CC=CC1 ZINC000648480576 387377750 /nfs/dbraw/zinc/37/77/50/387377750.db2.gz UMQXHHLOMYGCHC-GFCCVEGCSA-N 1 0 241.334 3.672 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC=CC1 ZINC000648480577 387377916 /nfs/dbraw/zinc/37/79/16/387377916.db2.gz UMQXHHLOMYGCHC-LBPRGKRZSA-N 1 0 241.334 3.672 20 0 BHADRO C1=CCC([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000648480583 387376781 /nfs/dbraw/zinc/37/67/81/387376781.db2.gz WBWPINPSVVLTPS-UHFFFAOYSA-N 1 0 249.398 3.565 20 0 BHADRO CC(C)C([NH2+]Cc1cc2cccnc2o1)C(C)C ZINC000648482435 387382608 /nfs/dbraw/zinc/38/26/08/387382608.db2.gz JAHPGQCQCHKLOQ-UHFFFAOYSA-N 1 0 246.354 3.598 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000648482611 387382986 /nfs/dbraw/zinc/38/29/86/387382986.db2.gz AYIKMFMAXIBAAI-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000648482612 387383184 /nfs/dbraw/zinc/38/31/84/387383184.db2.gz AYIKMFMAXIBAAI-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000648482613 387383943 /nfs/dbraw/zinc/38/39/43/387383943.db2.gz AYIKMFMAXIBAAI-VOAKCMCISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1C ZINC000648482614 387383832 /nfs/dbraw/zinc/38/38/32/387383832.db2.gz AYIKMFMAXIBAAI-XQHKEYJVSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)c2cnccc2C)cs1 ZINC000648494080 387426515 /nfs/dbraw/zinc/42/65/15/387426515.db2.gz RHBSJYKCTQNYRI-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)c2cnccc2C)cs1 ZINC000648494081 387425924 /nfs/dbraw/zinc/42/59/24/387425924.db2.gz RHBSJYKCTQNYRI-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000648495126 387437731 /nfs/dbraw/zinc/43/77/31/387437731.db2.gz AVBSAWMXZZVFFX-CABCVRRESA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@H]1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000648495127 387438613 /nfs/dbraw/zinc/43/86/13/387438613.db2.gz AVBSAWMXZZVFFX-GJZGRUSLSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000648495128 387437410 /nfs/dbraw/zinc/43/74/10/387437410.db2.gz AVBSAWMXZZVFFX-HUUCEWRRSA-N 1 0 246.398 3.776 20 0 BHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000648495129 387438354 /nfs/dbraw/zinc/43/83/54/387438354.db2.gz AVBSAWMXZZVFFX-LSDHHAIUSA-N 1 0 246.398 3.776 20 0 BHADRO CCn1ccc(C[N@H+](C)Cc2csc(C)c2)c1 ZINC000648553543 387243788 /nfs/dbraw/zinc/24/37/88/387243788.db2.gz IQCROQIFUFQGRA-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000648593432 387365081 /nfs/dbraw/zinc/36/50/81/387365081.db2.gz XFGNDIVCPXNGPW-AJNGGQMLSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000648593433 387364998 /nfs/dbraw/zinc/36/49/98/387364998.db2.gz XFGNDIVCPXNGPW-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000648593434 387364835 /nfs/dbraw/zinc/36/48/35/387364835.db2.gz XFGNDIVCPXNGPW-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000648593435 387364919 /nfs/dbraw/zinc/36/49/19/387364919.db2.gz XFGNDIVCPXNGPW-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CCCC(C)(F)F ZINC000648607987 387383181 /nfs/dbraw/zinc/38/31/81/387383181.db2.gz HKWBIDDOHFBDGG-JTQLQIEISA-N 1 0 247.354 3.704 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CCCC(C)(F)F ZINC000648607988 387382139 /nfs/dbraw/zinc/38/21/39/387382139.db2.gz HKWBIDDOHFBDGG-SNVBAGLBSA-N 1 0 247.354 3.704 20 0 BHADRO CC(F)(F)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000648608921 387385829 /nfs/dbraw/zinc/38/58/29/387385829.db2.gz AZTSMNLKIQJSDM-UHFFFAOYSA-N 1 0 241.325 3.599 20 0 BHADRO CCCc1ccc(C[NH2+]CCC(C)(F)F)cc1 ZINC000648608929 387386251 /nfs/dbraw/zinc/38/62/51/387386251.db2.gz IPJSUYRUYQRHFP-UHFFFAOYSA-N 1 0 241.325 3.774 20 0 BHADRO CC(F)(F)CC[NH2+]Cc1cscc1Cl ZINC000648608951 387385355 /nfs/dbraw/zinc/38/53/55/387385355.db2.gz UWABIWCEEYPRIY-UHFFFAOYSA-N 1 0 239.718 3.536 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CCC(C)(F)F ZINC000648609592 387401639 /nfs/dbraw/zinc/40/16/39/387401639.db2.gz ZPDCDGOKRMVIKE-JTQLQIEISA-N 1 0 247.354 3.704 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CCC(C)(F)F ZINC000648609593 387402234 /nfs/dbraw/zinc/40/22/34/387402234.db2.gz ZPDCDGOKRMVIKE-SNVBAGLBSA-N 1 0 247.354 3.704 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)Cc1cccs1)C(F)F ZINC000648619226 387583349 /nfs/dbraw/zinc/58/33/49/387583349.db2.gz GJYLFMLMCWWAPS-GXSJLCMTSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H](CC)C(F)F ZINC000648619227 387583559 /nfs/dbraw/zinc/58/35/59/387583559.db2.gz GJYLFMLMCWWAPS-KOLCDFICSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H](CC)C(F)F ZINC000648619228 387583367 /nfs/dbraw/zinc/58/33/67/387583367.db2.gz GJYLFMLMCWWAPS-MWLCHTKSSA-N 1 0 247.354 3.703 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H](CC)C(F)F ZINC000648619229 387582707 /nfs/dbraw/zinc/58/27/07/387582707.db2.gz GJYLFMLMCWWAPS-ONGXEEELSA-N 1 0 247.354 3.703 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CC1=CCCCC1 ZINC000648633374 387205544 /nfs/dbraw/zinc/20/55/44/387205544.db2.gz XHKHMHJMEUTENF-GFCCVEGCSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CC1=CCCCC1 ZINC000648633375 387204528 /nfs/dbraw/zinc/20/45/28/387204528.db2.gz XHKHMHJMEUTENF-LBPRGKRZSA-N 1 0 235.396 3.769 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000648634485 387209635 /nfs/dbraw/zinc/20/96/35/387209635.db2.gz RGWKGUQKWFOHAN-CHWSQXEVSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000648634486 387209733 /nfs/dbraw/zinc/20/97/33/387209733.db2.gz RGWKGUQKWFOHAN-OLZOCXBDSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000648634487 387209740 /nfs/dbraw/zinc/20/97/40/387209740.db2.gz RGWKGUQKWFOHAN-QWHCGFSZSA-N 1 0 243.341 3.900 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000648634488 387209610 /nfs/dbraw/zinc/20/96/10/387209610.db2.gz RGWKGUQKWFOHAN-STQMWFEESA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)c1ccccn1)C(C)(C)C ZINC000648650830 387324313 /nfs/dbraw/zinc/32/43/13/387324313.db2.gz HMYUTCPPYALDSN-CYBMUJFWSA-N 1 0 248.414 3.631 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)c1ccccn1)C(C)(C)C ZINC000648650831 387325243 /nfs/dbraw/zinc/32/52/43/387325243.db2.gz HMYUTCPPYALDSN-ZDUSSCGKSA-N 1 0 248.414 3.631 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC(C)(C)c1ccccn1 ZINC000648650834 387324888 /nfs/dbraw/zinc/32/48/88/387324888.db2.gz KMKXQDYWWJRXOB-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)c1ccccn1 ZINC000648650835 387324337 /nfs/dbraw/zinc/32/43/37/387324337.db2.gz KMKXQDYWWJRXOB-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1ccnc(C)c1 ZINC000648660286 487635952 /nfs/dbraw/zinc/63/59/52/487635952.db2.gz LMVNHIIVUPYLPD-HNNXBMFYSA-N 1 0 234.387 3.839 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1ccnc(C)c1 ZINC000648660287 487635448 /nfs/dbraw/zinc/63/54/48/487635448.db2.gz LMVNHIIVUPYLPD-OAHLLOKOSA-N 1 0 234.387 3.839 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000648665757 387409411 /nfs/dbraw/zinc/40/94/11/387409411.db2.gz UNYWXNPZALGQBK-NEPJUHHUSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000648665765 387408180 /nfs/dbraw/zinc/40/81/80/387408180.db2.gz UNYWXNPZALGQBK-NWDGAFQWSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000648665766 387408767 /nfs/dbraw/zinc/40/87/67/387408767.db2.gz UNYWXNPZALGQBK-RYUDHWBXSA-N 1 0 245.357 3.838 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C(F)F)CC1 ZINC000648665768 387409208 /nfs/dbraw/zinc/40/92/08/387409208.db2.gz UNYWXNPZALGQBK-VXGBXAGGSA-N 1 0 245.357 3.838 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000648698765 397928123 /nfs/dbraw/zinc/92/81/23/397928123.db2.gz ISPSHTBOMUSHBW-INIZCTEOSA-N 1 0 227.351 3.548 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000648698766 397927687 /nfs/dbraw/zinc/92/76/87/397927687.db2.gz ISPSHTBOMUSHBW-MRXNPFEDSA-N 1 0 227.351 3.548 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000648699749 388062217 /nfs/dbraw/zinc/06/22/17/388062217.db2.gz LRTIAVAEPJPGBM-CYBMUJFWSA-N 1 0 237.293 3.609 20 0 BHADRO FC(F)c1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000648699750 388062139 /nfs/dbraw/zinc/06/21/39/388062139.db2.gz LRTIAVAEPJPGBM-ZDUSSCGKSA-N 1 0 237.293 3.609 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000648702315 387724006 /nfs/dbraw/zinc/72/40/06/387724006.db2.gz YJHXLJIBDNKRSJ-BJJXKVORSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000648702316 387724967 /nfs/dbraw/zinc/72/49/67/387724967.db2.gz YJHXLJIBDNKRSJ-JGGQBBKZSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000648702317 387726209 /nfs/dbraw/zinc/72/62/09/387726209.db2.gz YJHXLJIBDNKRSJ-XNRPHZJLSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000648702318 387724098 /nfs/dbraw/zinc/72/40/98/387724098.db2.gz YJHXLJIBDNKRSJ-XPKDYRNWSA-N 1 0 246.398 3.694 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000648711540 387865094 /nfs/dbraw/zinc/86/50/94/387865094.db2.gz MZKDMFWJAIWYOU-AVGNSLFASA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000648711541 387864036 /nfs/dbraw/zinc/86/40/36/387864036.db2.gz MZKDMFWJAIWYOU-RWMBFGLXSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000648711542 387863767 /nfs/dbraw/zinc/86/37/67/387863767.db2.gz MZKDMFWJAIWYOU-XQQFMLRXSA-N 1 0 227.417 3.605 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000648711543 387864172 /nfs/dbraw/zinc/86/41/72/387864172.db2.gz MZKDMFWJAIWYOU-YNEHKIRRSA-N 1 0 227.417 3.605 20 0 BHADRO CC/C=C/C[NH2+][C@H](CC)Cc1cccs1 ZINC000648716696 388245304 /nfs/dbraw/zinc/24/53/04/388245304.db2.gz IZMYUINNTZQMNC-BTDICHCPSA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC)Cc1cccs1 ZINC000648716697 388245767 /nfs/dbraw/zinc/24/57/67/388245767.db2.gz IZMYUINNTZQMNC-FJOGCWAESA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C\C[NH2+][C@H](CC)Cc1cccs1 ZINC000648716698 388245795 /nfs/dbraw/zinc/24/57/95/388245795.db2.gz IZMYUINNTZQMNC-FOQNGQEVSA-N 1 0 223.385 3.625 20 0 BHADRO CC/C=C/C[NH2+][C@@H](CC)Cc1cccs1 ZINC000648716699 388246182 /nfs/dbraw/zinc/24/61/82/388246182.db2.gz IZMYUINNTZQMNC-FYJFLYSWSA-N 1 0 223.385 3.625 20 0 BHADRO CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000648719370 388134460 /nfs/dbraw/zinc/13/44/60/388134460.db2.gz JWELKUJTGUEWNE-BZPMIXESSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000648719371 388134677 /nfs/dbraw/zinc/13/46/77/388134677.db2.gz JWELKUJTGUEWNE-OBJOEFQTSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cscc1Cl ZINC000648732019 388753426 /nfs/dbraw/zinc/75/34/26/388753426.db2.gz XUUVXUAOWUBVKP-BDAKNGLRSA-N 1 0 229.776 3.537 20 0 BHADRO Cc1cccnc1CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000648732726 388754744 /nfs/dbraw/zinc/75/47/44/388754744.db2.gz SVGKOMQWSPOICL-AWEZNQCLSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1cccnc1CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000648732727 388755223 /nfs/dbraw/zinc/75/52/23/388755223.db2.gz SVGKOMQWSPOICL-CQSZACIVSA-N 1 0 248.414 3.594 20 0 BHADRO CC(C)([NH2+]Cc1cc2ccccc2[nH]1)C1CCC1 ZINC000648745901 388787651 /nfs/dbraw/zinc/78/76/51/388787651.db2.gz LYNXMQXGJQDXER-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000648767661 388851239 /nfs/dbraw/zinc/85/12/39/388851239.db2.gz JMOXLRLXQLJIIQ-ZFWWWQNUSA-N 1 0 242.366 3.550 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1cccs1 ZINC000648767667 388851359 /nfs/dbraw/zinc/85/13/59/388851359.db2.gz KUQPGZVMNVUABB-DYEKYZERSA-N 1 0 237.412 3.561 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1cccs1 ZINC000648767668 388851674 /nfs/dbraw/zinc/85/16/74/388851674.db2.gz KUQPGZVMNVUABB-OBJOEFQTSA-N 1 0 237.412 3.561 20 0 BHADRO CC1(C2([NH2+]Cc3cscc3Cl)CC2)CC1 ZINC000648809800 397938836 /nfs/dbraw/zinc/93/88/36/397938836.db2.gz FOHKQRSTPXRXDU-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO CC1(C2([NH2+]Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000648809835 397938882 /nfs/dbraw/zinc/93/88/82/397938882.db2.gz VMDJAMBPZKEBQU-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000648816876 388409922 /nfs/dbraw/zinc/40/99/22/388409922.db2.gz NSFXYUHLRWWGKI-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000648817006 388409966 /nfs/dbraw/zinc/40/99/66/388409966.db2.gz YMOZPXPQZCTBPV-JTQLQIEISA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000648817007 388410310 /nfs/dbraw/zinc/41/03/10/388410310.db2.gz YMOZPXPQZCTBPV-SNVBAGLBSA-N 1 0 241.762 3.627 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817278 388411161 /nfs/dbraw/zinc/41/11/61/388411161.db2.gz LYKIYGKZKDVFHY-UNXYVOJBSA-N 1 0 249.345 3.563 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817279 388411296 /nfs/dbraw/zinc/41/12/96/388411296.db2.gz LYKIYGKZKDVFHY-VOMCLLRMSA-N 1 0 249.345 3.563 20 0 BHADRO CCC(CC)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817477 388411213 /nfs/dbraw/zinc/41/12/13/388411213.db2.gz UKXBKSKXUZBDBV-UHFFFAOYSA-N 1 0 249.345 3.563 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817516 388411054 /nfs/dbraw/zinc/41/10/54/388411054.db2.gz WCBJHFZJOVPLDU-UNXYVOJBSA-N 1 0 249.345 3.561 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817517 388411081 /nfs/dbraw/zinc/41/10/81/388411081.db2.gz WCBJHFZJOVPLDU-VOMCLLRMSA-N 1 0 249.345 3.561 20 0 BHADRO CC(C)CCC[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817897 388411416 /nfs/dbraw/zinc/41/14/16/388411416.db2.gz FWQVBRGAORETII-UHFFFAOYSA-N 1 0 249.345 3.563 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817915 388411224 /nfs/dbraw/zinc/41/12/24/388411224.db2.gz GJIBQTGKABAVEL-DMOGRIERSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817916 388411428 /nfs/dbraw/zinc/41/14/28/388411428.db2.gz GJIBQTGKABAVEL-JYBOHDQNSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817917 388410995 /nfs/dbraw/zinc/41/09/95/388410995.db2.gz GJIBQTGKABAVEL-QKEWWQLBSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817918 388411211 /nfs/dbraw/zinc/41/12/11/388411211.db2.gz GJIBQTGKABAVEL-QYNFOATHSA-N 1 0 249.345 3.561 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817940 388411274 /nfs/dbraw/zinc/41/12/74/388411274.db2.gz HCXLRSATWNHSQB-UNXYVOJBSA-N 1 0 249.345 3.705 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817941 388410862 /nfs/dbraw/zinc/41/08/62/388410862.db2.gz HCXLRSATWNHSQB-VOMCLLRMSA-N 1 0 249.345 3.705 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648818054 388411346 /nfs/dbraw/zinc/41/13/46/388411346.db2.gz JZKHQQMDJRSKDW-UNXYVOJBSA-N 1 0 249.345 3.705 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648818055 388411390 /nfs/dbraw/zinc/41/13/90/388411390.db2.gz JZKHQQMDJRSKDW-VOMCLLRMSA-N 1 0 249.345 3.705 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC(OC(F)F)CC1 ZINC000648818561 388411422 /nfs/dbraw/zinc/41/14/22/388411422.db2.gz WGPLGZHVAONDRD-UHFFFAOYSA-N 1 0 249.345 3.563 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)C(C)C ZINC000648818638 388411322 /nfs/dbraw/zinc/41/13/22/388411322.db2.gz YSSYGSBMJQWSSJ-HTAVTVPLSA-N 1 0 249.345 3.561 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)C(C)C ZINC000648818639 388411341 /nfs/dbraw/zinc/41/13/41/388411341.db2.gz YSSYGSBMJQWSSJ-MCIGGMRASA-N 1 0 249.345 3.561 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C1CCCC1 ZINC000648825380 388416011 /nfs/dbraw/zinc/41/60/11/388416011.db2.gz OLBKRLCRIREBTR-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000648846690 388466967 /nfs/dbraw/zinc/46/69/67/388466967.db2.gz BJUHFRDQDUNJPT-GUTXKFCHSA-N 1 0 249.423 3.705 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000648846691 388466768 /nfs/dbraw/zinc/46/67/68/388466768.db2.gz BJUHFRDQDUNJPT-YDHLFZDLSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C1CCCC1 ZINC000648853836 388470785 /nfs/dbraw/zinc/47/07/85/388470785.db2.gz OLBKRLCRIREBTR-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC1CCC1 ZINC000648857989 388471889 /nfs/dbraw/zinc/47/18/89/388471889.db2.gz VFQNKJULENYBFK-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC1CCC1 ZINC000648857990 388471771 /nfs/dbraw/zinc/47/17/71/388471771.db2.gz VFQNKJULENYBFK-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000648860798 388473844 /nfs/dbraw/zinc/47/38/44/388473844.db2.gz CRCMRRBLQLFNHT-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000648860799 388474293 /nfs/dbraw/zinc/47/42/93/388474293.db2.gz CRCMRRBLQLFNHT-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000648860800 388473965 /nfs/dbraw/zinc/47/39/65/388473965.db2.gz CRCMRRBLQLFNHT-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000648860801 388473588 /nfs/dbraw/zinc/47/35/88/388473588.db2.gz CRCMRRBLQLFNHT-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO C[N@@H+](Cc1ccsc1)C[C@H]1CCC(F)(F)C1 ZINC000649231574 388463672 /nfs/dbraw/zinc/46/36/72/388463672.db2.gz FACVPPDBEXDTAO-JTQLQIEISA-N 1 0 245.338 3.615 20 0 BHADRO C[N@@H+](Cc1ccsc1)C[C@@H]1CCC(F)(F)C1 ZINC000649231575 388463289 /nfs/dbraw/zinc/46/32/89/388463289.db2.gz FACVPPDBEXDTAO-SNVBAGLBSA-N 1 0 245.338 3.615 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CCC1=CCCCC1 ZINC000649235941 388465197 /nfs/dbraw/zinc/46/51/97/388465197.db2.gz FDOWSSGFTOZYGL-GFCCVEGCSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CCC1=CCCCC1 ZINC000649235942 388465040 /nfs/dbraw/zinc/46/50/40/388465040.db2.gz FDOWSSGFTOZYGL-LBPRGKRZSA-N 1 0 207.361 3.607 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000649243940 388468048 /nfs/dbraw/zinc/46/80/48/388468048.db2.gz JZNZVTGHVNFZAW-GHMZBOCLSA-N 1 0 233.346 3.788 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000649243947 388468027 /nfs/dbraw/zinc/46/80/27/388468027.db2.gz JZNZVTGHVNFZAW-MNOVXSKESA-N 1 0 233.346 3.788 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000649243948 388468121 /nfs/dbraw/zinc/46/81/21/388468121.db2.gz JZNZVTGHVNFZAW-QWRGUYRKSA-N 1 0 233.346 3.788 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000649243949 388467875 /nfs/dbraw/zinc/46/78/75/388467875.db2.gz JZNZVTGHVNFZAW-WDEREUQCSA-N 1 0 233.346 3.788 20 0 BHADRO O=C1CCC(C[N@H+](C2CC2)C2CCCCC2)CC1 ZINC000649247169 388468345 /nfs/dbraw/zinc/46/83/45/388468345.db2.gz JUTGQOOVRJCIRY-UHFFFAOYSA-N 1 0 249.398 3.543 20 0 BHADRO CCC(=O)CCC[N@H+](C1CC1)C1CCCCC1 ZINC000649247172 388467525 /nfs/dbraw/zinc/46/75/25/388467525.db2.gz MBYXIXLFPMTISD-UHFFFAOYSA-N 1 0 237.387 3.543 20 0 BHADRO CCC(C)(C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000649247531 388468592 /nfs/dbraw/zinc/46/85/92/388468592.db2.gz HMVDGLJZPICISV-UHFFFAOYSA-N 1 0 241.762 3.627 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@@H]1CCC(F)(F)C1 ZINC000649280582 388513620 /nfs/dbraw/zinc/51/36/20/388513620.db2.gz YCAADSHRKAOYFF-LLVKDONJSA-N 1 0 243.297 3.537 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@H]1CCC(F)(F)C1 ZINC000649280583 388512995 /nfs/dbraw/zinc/51/29/95/388512995.db2.gz YCAADSHRKAOYFF-NSHDSACASA-N 1 0 243.297 3.537 20 0 BHADRO FC1(F)CC[C@H](C[NH+]2C3CCCC2CCC3)C1 ZINC000649323790 398145421 /nfs/dbraw/zinc/14/54/21/398145421.db2.gz BGKXRZHZFDUGBO-HIFPTAJRSA-N 1 0 243.341 3.829 20 0 BHADRO FC1(F)CC[C@@H](C[NH+]2C3CCCC2CCC3)C1 ZINC000649323791 398145387 /nfs/dbraw/zinc/14/53/87/398145387.db2.gz BGKXRZHZFDUGBO-PNESKVBLSA-N 1 0 243.341 3.829 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000649361584 398174687 /nfs/dbraw/zinc/17/46/87/398174687.db2.gz BUZOVTWFGMCBIB-GFCCVEGCSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000649361585 398175331 /nfs/dbraw/zinc/17/53/31/398175331.db2.gz BUZOVTWFGMCBIB-LBPRGKRZSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000649395757 398196979 /nfs/dbraw/zinc/19/69/79/398196979.db2.gz IWRVBPZSHSFBFI-AWEZNQCLSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000649395758 398196991 /nfs/dbraw/zinc/19/69/91/398196991.db2.gz IWRVBPZSHSFBFI-CQSZACIVSA-N 1 0 246.398 3.696 20 0 BHADRO FC1(F)CC2(C[NH+](CCC3=CCCCC3)C2)C1 ZINC000649401570 398203763 /nfs/dbraw/zinc/20/37/63/398203763.db2.gz FFBDLEVDEDNXDW-UHFFFAOYSA-N 1 0 241.325 3.608 20 0 BHADRO FC(F)[C@@H]1CCCN1CCC1=CCCCC1 ZINC000649401635 398199352 /nfs/dbraw/zinc/19/93/52/398199352.db2.gz PSNKAOCOPQSBQC-LBPRGKRZSA-N 1 0 229.314 3.606 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000649406269 398206604 /nfs/dbraw/zinc/20/66/04/398206604.db2.gz GSVSUNZDIQYDHR-AWEZNQCLSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000649406270 398206687 /nfs/dbraw/zinc/20/66/87/398206687.db2.gz GSVSUNZDIQYDHR-CQSZACIVSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000649410885 398209514 /nfs/dbraw/zinc/20/95/14/398209514.db2.gz APEHMEFADCCQJK-KKJMOOEGSA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000649410886 398209442 /nfs/dbraw/zinc/20/94/42/398209442.db2.gz APEHMEFADCCQJK-ZZJLNTIPSA-N 1 0 248.370 3.522 20 0 BHADRO CC(C)C([NH2+]C[C@@H]1CCC(F)(F)C1)C(C)C ZINC000649415571 398215146 /nfs/dbraw/zinc/21/51/46/398215146.db2.gz JDHVJESFQGBGQU-LLVKDONJSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)C([NH2+]C[C@H]1CCC(F)(F)C1)C(C)C ZINC000649415572 398215136 /nfs/dbraw/zinc/21/51/36/398215136.db2.gz JDHVJESFQGBGQU-NSHDSACASA-N 1 0 233.346 3.692 20 0 BHADRO C[NH+](C)CCc1ccc(-c2cccs2)cc1 ZINC000649422885 398222222 /nfs/dbraw/zinc/22/22/22/398222222.db2.gz GJLPDSAMQAKNQW-UHFFFAOYSA-N 1 0 231.364 3.519 20 0 BHADRO C[NH+](C)CCc1ccc(-c2ccsc2)cc1 ZINC000649423020 398222886 /nfs/dbraw/zinc/22/28/86/398222886.db2.gz TZTBTSZZRNAIRM-UHFFFAOYSA-N 1 0 231.364 3.519 20 0 BHADRO c1coc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000649424046 398225778 /nfs/dbraw/zinc/22/57/78/398225778.db2.gz HAKFPHQSMONFGX-UHFFFAOYSA-N 1 0 227.307 3.542 20 0 BHADRO Fc1ccc(C[NH+]2CCCC2)cc1-c1ccoc1 ZINC000649433162 398235016 /nfs/dbraw/zinc/23/50/16/398235016.db2.gz FPMBUDUFPWRZFR-UHFFFAOYSA-N 1 0 245.297 3.682 20 0 BHADRO c1cc(-c2ccccc2C[NH+]2CCCC2)co1 ZINC000649433654 398234802 /nfs/dbraw/zinc/23/48/02/398234802.db2.gz ATMOBDNKTDOMOC-UHFFFAOYSA-N 1 0 227.307 3.542 20 0 BHADRO Cc1sccc1-c1cccc(C[NH+](C)C)c1 ZINC000649436320 398238521 /nfs/dbraw/zinc/23/85/21/398238521.db2.gz BBNNNKBRGSOMAV-UHFFFAOYSA-N 1 0 231.364 3.785 20 0 BHADRO Cc1ccsc1-c1cccc(C[NH+](C)C)c1 ZINC000649436735 398238429 /nfs/dbraw/zinc/23/84/29/398238429.db2.gz QRGCVFGREKQNJE-UHFFFAOYSA-N 1 0 231.364 3.785 20 0 BHADRO Cc1cscc1-c1cccc(C[NH+](C)C)c1 ZINC000649436934 398238905 /nfs/dbraw/zinc/23/89/05/398238905.db2.gz WIERNBGJLOFEOM-UHFFFAOYSA-N 1 0 231.364 3.785 20 0 BHADRO Cc1cscc1-c1ccc(C[NH+](C)C)c(F)c1 ZINC000649437729 398239660 /nfs/dbraw/zinc/23/96/60/398239660.db2.gz BVEQJACENGBTKO-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO Cc1sccc1-c1ccc(C[NH+](C)C)c(F)c1 ZINC000649438222 398239915 /nfs/dbraw/zinc/23/99/15/398239915.db2.gz ZLHTZHGXZLWUPR-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO c1cc(-c2cccc(C[NH+]3CCCC3)c2)co1 ZINC000649441264 398242136 /nfs/dbraw/zinc/24/21/36/398242136.db2.gz XIHPUKNOBAOEQK-UHFFFAOYSA-N 1 0 227.307 3.542 20 0 BHADRO Cc1cscc1-c1ccc(CC[NH+](C)C)cc1 ZINC000649441863 398243322 /nfs/dbraw/zinc/24/33/22/398243322.db2.gz QWEWRTKKIPYTHN-UHFFFAOYSA-N 1 0 245.391 3.828 20 0 BHADRO Cc1sccc1-c1ccc(CC[NH+](C)C)cc1 ZINC000649442651 398248595 /nfs/dbraw/zinc/24/85/95/398248595.db2.gz ZPRAWFZVBJJELP-UHFFFAOYSA-N 1 0 245.391 3.828 20 0 BHADRO Cc1csc2c1cccc2C1=CC[NH2+]CC1 ZINC000649442924 398248679 /nfs/dbraw/zinc/24/86/79/398248679.db2.gz CQASGEADNOHRED-UHFFFAOYSA-N 1 0 229.348 3.586 20 0 BHADRO Cc1cc2cc(C3=CC[NH2+]CC3)ccc2s1 ZINC000649443076 398249205 /nfs/dbraw/zinc/24/92/05/398249205.db2.gz MNEIOWZMCUUERD-UHFFFAOYSA-N 1 0 229.348 3.586 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000649451065 487748825 /nfs/dbraw/zinc/74/88/25/487748825.db2.gz SZGIRVXMSYODQO-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000649451066 487748657 /nfs/dbraw/zinc/74/86/57/487748657.db2.gz SZGIRVXMSYODQO-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000649451067 487748570 /nfs/dbraw/zinc/74/85/70/487748570.db2.gz SZGIRVXMSYODQO-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000649451068 487748526 /nfs/dbraw/zinc/74/85/26/487748526.db2.gz SZGIRVXMSYODQO-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO FC1(F)CC[NH+](CCC2=CCCCC2)CC1 ZINC000649527068 397917875 /nfs/dbraw/zinc/91/78/75/397917875.db2.gz TZPHCDXELMOFND-UHFFFAOYSA-N 1 0 229.314 3.608 20 0 BHADRO CC[C@H](OCC[N@H+](C)C1CCC1)c1ccccc1 ZINC000649541738 397935139 /nfs/dbraw/zinc/93/51/39/397935139.db2.gz GXWVHBGBRVMHQC-INIZCTEOSA-N 1 0 247.382 3.639 20 0 BHADRO CC[C@@H](OCC[N@H+](C)C1CCC1)c1ccccc1 ZINC000649541739 397935146 /nfs/dbraw/zinc/93/51/46/397935146.db2.gz GXWVHBGBRVMHQC-MRXNPFEDSA-N 1 0 247.382 3.639 20 0 BHADRO FC1(F)CC[C@@H](C[NH+]2CCC3(CCC3)CC2)C1 ZINC000649595159 397983767 /nfs/dbraw/zinc/98/37/67/397983767.db2.gz XNNGJIDJFRDDFN-GFCCVEGCSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CC[C@H](C[NH+]2CCC3(CCC3)CC2)C1 ZINC000649595160 397983668 /nfs/dbraw/zinc/98/36/68/397983668.db2.gz XNNGJIDJFRDDFN-LBPRGKRZSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CC[C@@H](C[NH+]2CCC(C3CC3)CC2)C1 ZINC000649637963 398015533 /nfs/dbraw/zinc/01/55/33/398015533.db2.gz HOOHVJIZBMQYDD-LLVKDONJSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC[C@H](C[NH+]2CCC(C3CC3)CC2)C1 ZINC000649637964 398015128 /nfs/dbraw/zinc/01/51/28/398015128.db2.gz HOOHVJIZBMQYDD-NSHDSACASA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649642852 398019302 /nfs/dbraw/zinc/01/93/02/398019302.db2.gz PRQKLKYWFXDFPN-UHFFFAOYSA-N 1 0 223.747 3.717 20 0 BHADRO FCCC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649643587 398018430 /nfs/dbraw/zinc/01/84/30/398018430.db2.gz SXRNYSPUPHRKOI-UHFFFAOYSA-N 1 0 241.737 3.668 20 0 BHADRO Cc1ccccc1C1([NH2+]CCCCF)CCC1 ZINC000649644767 398019253 /nfs/dbraw/zinc/01/92/53/398019253.db2.gz RQAWQSAUDCARNL-UHFFFAOYSA-N 1 0 235.346 3.714 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000649655457 642684702 /nfs/dbraw/zinc/68/47/02/642684702.db2.gz BWSVSUFADXPKNJ-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO COc1ccc(C)cc1C[N@@H+]1CCC12CCCC2 ZINC000649655474 642683003 /nfs/dbraw/zinc/68/30/03/642683003.db2.gz CJUTVACYKJBQLN-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC12CCCC2 ZINC000649655535 642683932 /nfs/dbraw/zinc/68/39/32/642683932.db2.gz FNMMEXSYNMQAHT-RMKNXTFCSA-N 1 0 227.351 3.718 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC12CCCC2 ZINC000649655536 642683128 /nfs/dbraw/zinc/68/31/28/642683128.db2.gz FNMMEXSYNMQAHT-TWGQIWQCSA-N 1 0 227.351 3.718 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC12CCCC2 ZINC000649655576 642684926 /nfs/dbraw/zinc/68/49/26/642684926.db2.gz HCCBPSWPQFPOSE-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC23CCCC3)c1 ZINC000649655624 490199102 /nfs/dbraw/zinc/19/91/02/490199102.db2.gz JBQRYGSCYSGXRI-UHFFFAOYSA-N 1 0 215.340 3.514 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC23CCCC3)s1 ZINC000649655744 490198751 /nfs/dbraw/zinc/19/87/51/490198751.db2.gz NIQRKAYLVWWQIM-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CCOc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000649656513 398027003 /nfs/dbraw/zinc/02/70/03/398027003.db2.gz QFPVHTVLAJWTBW-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO CC(C)(C)OCCCC[N@@H+]1CCC12CCCC2 ZINC000649657632 398025523 /nfs/dbraw/zinc/02/55/23/398025523.db2.gz HTNKFNVVBUJCPF-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO c1cc(CCC[N@@H+]2CCC23CCCC3)cs1 ZINC000649657815 398025944 /nfs/dbraw/zinc/02/59/44/398025944.db2.gz NXNSGDNTPNSMPD-UHFFFAOYSA-N 1 0 235.396 3.699 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCC12CCCC2 ZINC000649657943 398025727 /nfs/dbraw/zinc/02/57/27/398025727.db2.gz RVVWEJJONGHFMN-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC12CCCC2 ZINC000649658045 398025366 /nfs/dbraw/zinc/02/53/66/398025366.db2.gz WADUXIAFMPMNMV-UHFFFAOYSA-N 1 0 235.293 3.738 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CCC23CCCC3)CC1 ZINC000649658276 398027336 /nfs/dbraw/zinc/02/73/36/398027336.db2.gz FTVLCQRLKJMPCE-UHFFFAOYSA-N 1 0 243.341 3.830 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC23CCCC3)cc1 ZINC000649658537 398028568 /nfs/dbraw/zinc/02/85/68/398028568.db2.gz OTMYQCXYQUAEIZ-HOTGVXAUSA-N 1 0 241.378 3.809 20 0 BHADRO CCC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000649664476 398030181 /nfs/dbraw/zinc/03/01/81/398030181.db2.gz IMBCYDBGRZJIDS-GFCCVEGCSA-N 1 0 223.385 3.509 20 0 BHADRO CCC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649664477 398030097 /nfs/dbraw/zinc/03/00/97/398030097.db2.gz IMBCYDBGRZJIDS-LBPRGKRZSA-N 1 0 223.385 3.509 20 0 BHADRO C[C@H](CSc1ccccc1)[N@H+](C)CC1CC1 ZINC000649665128 398029883 /nfs/dbraw/zinc/02/98/83/398029883.db2.gz BVKDTRNFDZPKDL-GFCCVEGCSA-N 1 0 235.396 3.509 20 0 BHADRO C[C@@H](CSc1ccccc1)[N@H+](C)CC1CC1 ZINC000649665129 398029688 /nfs/dbraw/zinc/02/96/88/398029688.db2.gz BVKDTRNFDZPKDL-LBPRGKRZSA-N 1 0 235.396 3.509 20 0 BHADRO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649697803 398046761 /nfs/dbraw/zinc/04/67/61/398046761.db2.gz OZWKGOLRLDFPJO-GDBMZVCRSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649697804 398046792 /nfs/dbraw/zinc/04/67/92/398046792.db2.gz OZWKGOLRLDFPJO-GOEBONIOSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649697805 398046548 /nfs/dbraw/zinc/04/65/48/398046548.db2.gz OZWKGOLRLDFPJO-HOCLYGCPSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649697806 398046879 /nfs/dbraw/zinc/04/68/79/398046879.db2.gz OZWKGOLRLDFPJO-ZBFHGGJFSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)(C)CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649772879 398095132 /nfs/dbraw/zinc/09/51/32/398095132.db2.gz ARFBWZZEAYLMGD-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)(C)CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773330 398095660 /nfs/dbraw/zinc/09/56/60/398095660.db2.gz OGYKALQVKFUZTM-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)C[C@@H](C)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773464 487792636 /nfs/dbraw/zinc/79/26/36/487792636.db2.gz UGGGCYSLYKAEBR-GFCCVEGCSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)C[C@H](C)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773465 487792450 /nfs/dbraw/zinc/79/24/50/487792450.db2.gz UGGGCYSLYKAEBR-LBPRGKRZSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773498 398096560 /nfs/dbraw/zinc/09/65/60/398096560.db2.gz VOSQUVFYZGBQKO-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)C[C@@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773517 398096252 /nfs/dbraw/zinc/09/62/52/398096252.db2.gz WETOOLOXMLOOQQ-LLVKDONJSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773518 398096480 /nfs/dbraw/zinc/09/64/80/398096480.db2.gz WETOOLOXMLOOQQ-NSHDSACASA-N 1 0 231.330 3.542 20 0 BHADRO CCC(C)(C)CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775281 398095717 /nfs/dbraw/zinc/09/57/17/398095717.db2.gz BFNGCJDDQCSANQ-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO FC1(F)CC12CC[NH+](CCC1CCCC1)CC2 ZINC000649775663 398095756 /nfs/dbraw/zinc/09/57/56/398095756.db2.gz QVNSWDDIOQRQKJ-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000649776269 398097982 /nfs/dbraw/zinc/09/79/82/398097982.db2.gz IZKITFSRRACNEM-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CSc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649806781 398113406 /nfs/dbraw/zinc/11/34/06/398113406.db2.gz BPRYWNKXJYKMAV-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649806902 398114532 /nfs/dbraw/zinc/11/45/32/398114532.db2.gz FWGGQJKGAUBLPO-GFCCVEGCSA-N 1 0 215.340 3.670 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649806903 398114421 /nfs/dbraw/zinc/11/44/21/398114421.db2.gz FWGGQJKGAUBLPO-LBPRGKRZSA-N 1 0 215.340 3.670 20 0 BHADRO c1ccc(CCC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649807011 398114336 /nfs/dbraw/zinc/11/43/36/398114336.db2.gz ISBFHEXZGKTLFA-UHFFFAOYSA-N 1 0 229.367 3.542 20 0 BHADRO CCOc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649807151 398114158 /nfs/dbraw/zinc/11/41/58/398114158.db2.gz MJUXIMIDGLINKJ-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1 ZINC000649807172 398114525 /nfs/dbraw/zinc/11/45/25/398114525.db2.gz MXTXYINJNGEFPM-LLVKDONJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1 ZINC000649807173 398114396 /nfs/dbraw/zinc/11/43/96/398114396.db2.gz MXTXYINJNGEFPM-NSHDSACASA-N 1 0 233.330 3.809 20 0 BHADRO Clc1ccc(C[NH2+]C2(C3CCC3)CC2)s1 ZINC000649807263 398114376 /nfs/dbraw/zinc/11/43/76/398114376.db2.gz PDBZNRQZPRBVQT-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C1(C2CCC2)CC1 ZINC000649807536 398114517 /nfs/dbraw/zinc/11/45/17/398114517.db2.gz XHKSMPUPRLHPKX-VMPITWQZSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C1(C2CCC2)CC1 ZINC000649807537 398114543 /nfs/dbraw/zinc/11/45/43/398114543.db2.gz XHKSMPUPRLHPKX-YVMONPNESA-N 1 0 227.351 3.622 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CCC3)CC2)c(C)s1 ZINC000649807713 398115013 /nfs/dbraw/zinc/11/50/13/398115013.db2.gz CFLSSLQFODCGSN-UHFFFAOYSA-N 1 0 235.396 3.787 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(F)c1 ZINC000649808025 398112791 /nfs/dbraw/zinc/11/27/91/398112791.db2.gz OAKPYAKWMJJUKA-LLVKDONJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(F)c1 ZINC000649808026 398112852 /nfs/dbraw/zinc/11/28/52/398112852.db2.gz OAKPYAKWMJJUKA-NSHDSACASA-N 1 0 233.330 3.809 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]C1(C2CCC2)CC1 ZINC000649808427 398112931 /nfs/dbraw/zinc/11/29/31/398112931.db2.gz DBAULBAQXFBMRM-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]C1(C2CCC2)CC1 ZINC000649808428 398112815 /nfs/dbraw/zinc/11/28/15/398112815.db2.gz DBAULBAQXFBMRM-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C1(C2CCC2)CC1 ZINC000649808596 398115346 /nfs/dbraw/zinc/11/53/46/398115346.db2.gz JGOFJEFKYFRQIC-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1(C3CCC3)CC1)CC2 ZINC000649808713 398115000 /nfs/dbraw/zinc/11/50/00/398115000.db2.gz NOWRIAFSRUJRDH-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1(C3CCC3)CC1)CC2 ZINC000649808714 398115389 /nfs/dbraw/zinc/11/53/89/398115389.db2.gz NOWRIAFSRUJRDH-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO COc1cccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000649808759 398115343 /nfs/dbraw/zinc/11/53/43/398115343.db2.gz OSXFZAVZUYRUBB-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1cccc([C@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000649808760 398115107 /nfs/dbraw/zinc/11/51/07/398115107.db2.gz OSXFZAVZUYRUBB-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@H](C[NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649808767 398115372 /nfs/dbraw/zinc/11/53/72/398115372.db2.gz PBEIIZABBUBQAG-CYBMUJFWSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@@H](C[NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649808768 398115263 /nfs/dbraw/zinc/11/52/63/398115263.db2.gz PBEIIZABBUBQAG-ZDUSSCGKSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc(SCC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649808771 398115310 /nfs/dbraw/zinc/11/53/10/398115310.db2.gz PCRCLSGYWRYPEA-UHFFFAOYSA-N 1 0 247.407 3.701 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000649810445 398117113 /nfs/dbraw/zinc/11/71/13/398117113.db2.gz LGUSSDZLKJKHEG-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO FC(F)(F)CCCC[NH2+]C1(C2CCC2)CC1 ZINC000649810448 398116882 /nfs/dbraw/zinc/11/68/82/398116882.db2.gz LNPZOLQBMFTRNG-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO CSc1ccccc1C[NH2+]C1(C2CCC2)CC1 ZINC000649810489 398117070 /nfs/dbraw/zinc/11/70/70/398117070.db2.gz NBOHGVJZBAIQPA-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO CC(C)(C)OCCCC[NH2+]C1(C2CCC2)CC1 ZINC000649810499 398116918 /nfs/dbraw/zinc/11/69/18/398116918.db2.gz NQCIYMRKFVWRIQ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO c1cc(CCC[NH2+]C2(C3CCC3)CC2)cs1 ZINC000649810720 398118000 /nfs/dbraw/zinc/11/80/00/398118000.db2.gz WGCFZNQIDYEGOD-UHFFFAOYSA-N 1 0 235.396 3.603 20 0 BHADRO Fc1cccc(CCC[NH2+]C2(C3CCC3)CC2)c1 ZINC000649810746 398117897 /nfs/dbraw/zinc/11/78/97/398117897.db2.gz XKKKGDHLAPRWMD-UHFFFAOYSA-N 1 0 247.357 3.681 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000649810788 398117819 /nfs/dbraw/zinc/11/78/19/398117819.db2.gz ZHAJQKIRFLICJI-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO FC1(F)CCC(C[NH2+]C2(C3CCC3)CC2)CC1 ZINC000649810970 398117733 /nfs/dbraw/zinc/11/77/33/398117733.db2.gz AKHYNBGLAJWEHV-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO C1=C(CC[NH2+]C2(C3CCC3)CC2)CCCC1 ZINC000649811012 398118083 /nfs/dbraw/zinc/11/80/83/398118083.db2.gz BLCQPHWEJMZZKP-UHFFFAOYSA-N 1 0 219.372 3.799 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649811162 398117886 /nfs/dbraw/zinc/11/78/86/398117886.db2.gz IDIAJPPLBBWUGG-HOCLYGCPSA-N 1 0 241.378 3.712 20 0 BHADRO Clc1ccsc1C[NH2+]C1(C2CCC2)CC1 ZINC000649811225 398118761 /nfs/dbraw/zinc/11/87/61/398118761.db2.gz JVWLJFUABCUQNG-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000649811237 398119178 /nfs/dbraw/zinc/11/91/78/398119178.db2.gz KKEXFKSYLUUWFP-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+]C1(C2CCC2)CC1 ZINC000649811478 398116263 /nfs/dbraw/zinc/11/62/63/398116263.db2.gz TYAWWJRJBWANHH-HNNXBMFYSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+]C1(C2CCC2)CC1 ZINC000649811479 398116286 /nfs/dbraw/zinc/11/62/86/398116286.db2.gz TYAWWJRJBWANHH-OAHLLOKOSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1c2cccc(C)c2oc1C[N@H+](C)CCCF ZINC000649819773 398121665 /nfs/dbraw/zinc/12/16/65/398121665.db2.gz FSMSYYVMDVHQSD-UHFFFAOYSA-N 1 0 249.329 3.841 20 0 BHADRO CCC1([NH2+]CCCOC(C)(C)C)CCCC1 ZINC000649825042 398128113 /nfs/dbraw/zinc/12/81/13/398128113.db2.gz OPLWCUBLRSNOJV-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO CC(C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649886195 398165298 /nfs/dbraw/zinc/16/52/98/398165298.db2.gz QWDPAZJGQVIRBX-UHFFFAOYSA-N 1 0 243.272 3.693 20 0 BHADRO CCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649886224 398165607 /nfs/dbraw/zinc/16/56/07/398165607.db2.gz SHCLIKMWZZTKIN-UHFFFAOYSA-N 1 0 243.272 3.694 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1ccc(C)cn1 ZINC000649900627 398170696 /nfs/dbraw/zinc/17/06/96/398170696.db2.gz NVMSGGMNHVUTOB-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@H]2C=CCCCCC2)nc1 ZINC000649903978 398174669 /nfs/dbraw/zinc/17/46/69/398174669.db2.gz FAVKLTDIDZFWOO-INIZCTEOSA-N 1 0 244.382 3.711 20 0 BHADRO Cc1ccc(C[N@@H+](C)[C@@H]2C=CCCCCC2)nc1 ZINC000649903979 398175052 /nfs/dbraw/zinc/17/50/52/398175052.db2.gz FAVKLTDIDZFWOO-MRXNPFEDSA-N 1 0 244.382 3.711 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCC(C)(C)C)nc1 ZINC000649904012 398174576 /nfs/dbraw/zinc/17/45/76/398174576.db2.gz HZQPXLYJRNANJJ-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO FC1(F)C[C@@]12CC[N@H+](CCCC1CCCC1)C2 ZINC000649904678 398176926 /nfs/dbraw/zinc/17/69/26/398176926.db2.gz KOPYFZAAMYNTSR-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CC[N@H+](CCCC1CCCC1)C2 ZINC000649904679 398176824 /nfs/dbraw/zinc/17/68/24/398176824.db2.gz KOPYFZAAMYNTSR-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649905132 398178664 /nfs/dbraw/zinc/17/86/64/398178664.db2.gz UFBNLBYTFINACJ-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649905133 398178631 /nfs/dbraw/zinc/17/86/31/398178631.db2.gz UFBNLBYTFINACJ-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000649906758 398181541 /nfs/dbraw/zinc/18/15/41/398181541.db2.gz BXHFSTMIKQTXMM-AGIUHOORSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649906759 398181786 /nfs/dbraw/zinc/18/17/86/398181786.db2.gz BXHFSTMIKQTXMM-FRRDWIJNSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649906760 398181743 /nfs/dbraw/zinc/18/17/43/398181743.db2.gz BXHFSTMIKQTXMM-JHJVBQTASA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000649906761 398182020 /nfs/dbraw/zinc/18/20/20/398182020.db2.gz BXHFSTMIKQTXMM-UPJWGTAASA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)C[C@@]12CC[N@H+](CCC1CCCCC1)C2 ZINC000649907103 398181496 /nfs/dbraw/zinc/18/14/96/398181496.db2.gz JEEMFVMOFXJEBQ-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CC[N@H+](CCC1CCCCC1)C2 ZINC000649907104 398181721 /nfs/dbraw/zinc/18/17/21/398181721.db2.gz JEEMFVMOFXJEBQ-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@@]12CC[N@H+](CC1CCCCCC1)C2 ZINC000649907742 398180405 /nfs/dbraw/zinc/18/04/05/398180405.db2.gz ZAUIBWLQKDEAIM-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CC[N@H+](CC1CCCCCC1)C2 ZINC000649907743 398180415 /nfs/dbraw/zinc/18/04/15/398180415.db2.gz ZAUIBWLQKDEAIM-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@@]12CC[N@H+](CCC1=CCCCC1)C2 ZINC000649908021 398182832 /nfs/dbraw/zinc/18/28/32/398182832.db2.gz FGKIQVJIFGTLRK-CYBMUJFWSA-N 1 0 241.325 3.608 20 0 BHADRO FC1(F)C[C@]12CC[N@H+](CCC1=CCCCC1)C2 ZINC000649908022 398182873 /nfs/dbraw/zinc/18/28/73/398182873.db2.gz FGKIQVJIFGTLRK-ZDUSSCGKSA-N 1 0 241.325 3.608 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908278 398183938 /nfs/dbraw/zinc/18/39/38/398183938.db2.gz LCTPTHCEMQKKKB-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908279 398184048 /nfs/dbraw/zinc/18/40/48/398184048.db2.gz LCTPTHCEMQKKKB-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)C[C@@]12CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000649908298 398183969 /nfs/dbraw/zinc/18/39/69/398183969.db2.gz LJKPETGOQYQWTR-CHWSQXEVSA-N 1 0 241.325 3.606 20 0 BHADRO FC1(F)C[C@]12CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000649908299 398184067 /nfs/dbraw/zinc/18/40/67/398184067.db2.gz LJKPETGOQYQWTR-OLZOCXBDSA-N 1 0 241.325 3.606 20 0 BHADRO FC1(F)C[C@@]12CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000649908300 398183991 /nfs/dbraw/zinc/18/39/91/398183991.db2.gz LJKPETGOQYQWTR-QWHCGFSZSA-N 1 0 241.325 3.606 20 0 BHADRO FC1(F)C[C@]12CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000649908301 398183867 /nfs/dbraw/zinc/18/38/67/398183867.db2.gz LJKPETGOQYQWTR-STQMWFEESA-N 1 0 241.325 3.606 20 0 BHADRO CC1CCC(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000649908633 398183966 /nfs/dbraw/zinc/18/39/66/398183966.db2.gz SZFDTCNNLDRVOO-BPCQOVAHSA-N 1 0 243.341 3.544 20 0 BHADRO CC1CCC(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000649908634 398183762 /nfs/dbraw/zinc/18/37/62/398183762.db2.gz SZFDTCNNLDRVOO-WXRRBKDZSA-N 1 0 243.341 3.544 20 0 BHADRO CCC[C@@H]([NH2+]Cc1oc(C)nc1C)C(C)(C)C ZINC000649931942 398190379 /nfs/dbraw/zinc/19/03/79/398190379.db2.gz LQVUCCZFWODQGO-CYBMUJFWSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1oc(C)nc1C)C(C)(C)C ZINC000649931943 398190515 /nfs/dbraw/zinc/19/05/15/398190515.db2.gz LQVUCCZFWODQGO-ZDUSSCGKSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C)ccn1)C(C)(C)C ZINC000649931944 398190297 /nfs/dbraw/zinc/19/02/97/398190297.db2.gz LXFBTFLTNDXSPA-AWEZNQCLSA-N 1 0 234.387 3.694 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C)ccn1)C(C)(C)C ZINC000649931945 398190390 /nfs/dbraw/zinc/19/03/90/398190390.db2.gz LXFBTFLTNDXSPA-CQSZACIVSA-N 1 0 234.387 3.694 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000649959000 398196895 /nfs/dbraw/zinc/19/68/95/398196895.db2.gz NQZNCRXBTTZESN-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@H]1CCC12CCCC2 ZINC000649959001 398196903 /nfs/dbraw/zinc/19/69/03/398196903.db2.gz NQZNCRXBTTZESN-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cccnc1 ZINC000650132397 397939567 /nfs/dbraw/zinc/93/95/67/397939567.db2.gz NGGYCARYOUVHFO-FPMFFAJLSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cccnc1 ZINC000650132398 397939498 /nfs/dbraw/zinc/93/94/98/397939498.db2.gz NGGYCARYOUVHFO-KWCYVHTRSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 ZINC000650132451 397939700 /nfs/dbraw/zinc/93/97/00/397939700.db2.gz PWFDDSMEVRELGR-FPMFFAJLSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 ZINC000650132452 397939527 /nfs/dbraw/zinc/93/95/27/397939527.db2.gz PWFDDSMEVRELGR-KWCYVHTRSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1ccccc1 ZINC000650135668 397941063 /nfs/dbraw/zinc/94/10/63/397941063.db2.gz YALOTJWOSCNXMI-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COCC1CC1)c1ccccc1 ZINC000650135669 397940874 /nfs/dbraw/zinc/94/08/74/397940874.db2.gz YALOTJWOSCNXMI-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1ccccc1 ZINC000650135670 397940675 /nfs/dbraw/zinc/94/06/75/397940675.db2.gz YALOTJWOSCNXMI-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccccc1 ZINC000650135671 397941045 /nfs/dbraw/zinc/94/10/45/397941045.db2.gz YALOTJWOSCNXMI-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO c1coc([C@@H]2[N@H+](C3CCCC3)CC23CCC3)c1 ZINC000650192633 397977132 /nfs/dbraw/zinc/97/71/32/397977132.db2.gz BITDRPIHQMIKPK-AWEZNQCLSA-N 1 0 231.339 3.749 20 0 BHADRO c1coc([C@H]2[N@H+](C3CCCC3)CC23CCC3)c1 ZINC000650192634 397977151 /nfs/dbraw/zinc/97/71/51/397977151.db2.gz BITDRPIHQMIKPK-CQSZACIVSA-N 1 0 231.339 3.749 20 0 BHADRO CCc1ccncc1NCc1sccc1C ZINC000650242414 398004158 /nfs/dbraw/zinc/00/41/58/398004158.db2.gz JOCIJYCLHPCOKA-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CCc1ccncc1NCc1ccc(C)s1 ZINC000650242457 398004175 /nfs/dbraw/zinc/00/41/75/398004175.db2.gz LOUMQVZEUPGSDB-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000650321109 487787318 /nfs/dbraw/zinc/78/73/18/487787318.db2.gz ITGZDBGSBZENGX-AEGPPILISA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000650321110 487787517 /nfs/dbraw/zinc/78/75/17/487787517.db2.gz ITGZDBGSBZENGX-QEJZJMRPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000650321111 487787557 /nfs/dbraw/zinc/78/75/57/487787557.db2.gz ITGZDBGSBZENGX-SNPRPXQTSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000650321112 487787211 /nfs/dbraw/zinc/78/72/11/487787211.db2.gz ITGZDBGSBZENGX-VHDGCEQUSA-N 1 0 246.398 3.694 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000650334260 398118943 /nfs/dbraw/zinc/11/89/43/398118943.db2.gz ONEQMDTZACRCEZ-KBPBESRZSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000650334261 398118926 /nfs/dbraw/zinc/11/89/26/398118926.db2.gz ONEQMDTZACRCEZ-KGLIPLIRSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000650334262 398118863 /nfs/dbraw/zinc/11/88/63/398118863.db2.gz ONEQMDTZACRCEZ-UONOGXRCSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000650334263 398118933 /nfs/dbraw/zinc/11/89/33/398118933.db2.gz ONEQMDTZACRCEZ-ZIAGYGMSSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1ccnc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000650334668 398117245 /nfs/dbraw/zinc/11/72/45/398117245.db2.gz LZYCNKPSOGGDGB-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccnc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c1 ZINC000650334669 398117432 /nfs/dbraw/zinc/11/74/32/398117432.db2.gz LZYCNKPSOGGDGB-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000650335672 398118289 /nfs/dbraw/zinc/11/82/89/398118289.db2.gz IDBLWAPKFZIGFD-AWEZNQCLSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000650335673 398118196 /nfs/dbraw/zinc/11/81/96/398118196.db2.gz IDBLWAPKFZIGFD-CQSZACIVSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1ccnc(C[N@@H+](C(C)C)C2CC(C)(C)C2)c1 ZINC000650346048 487796799 /nfs/dbraw/zinc/79/67/99/487796799.db2.gz YNSVVCYGWZFSTF-UHFFFAOYSA-N 1 0 246.398 3.789 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650720963 410358492 /nfs/dbraw/zinc/35/84/92/410358492.db2.gz JVXMDKOAKZHEKN-DZGCQCFKSA-N 1 0 246.398 3.582 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650720964 410358655 /nfs/dbraw/zinc/35/86/55/410358655.db2.gz JVXMDKOAKZHEKN-HIFRSBDPSA-N 1 0 246.398 3.582 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650720965 410358614 /nfs/dbraw/zinc/35/86/14/410358614.db2.gz JVXMDKOAKZHEKN-UKRRQHHQSA-N 1 0 246.398 3.582 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650720966 410358454 /nfs/dbraw/zinc/35/84/54/410358454.db2.gz JVXMDKOAKZHEKN-ZFWWWQNUSA-N 1 0 246.398 3.582 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)c2csc(C)c2)o1 ZINC000651187330 410852958 /nfs/dbraw/zinc/85/29/58/410852958.db2.gz PGKSVCYLGKQULU-GFCCVEGCSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)c2csc(C)c2)o1 ZINC000651187331 410852244 /nfs/dbraw/zinc/85/22/44/410852244.db2.gz PGKSVCYLGKQULU-LBPRGKRZSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2C)cs1 ZINC000651205818 487700899 /nfs/dbraw/zinc/70/08/99/487700899.db2.gz AOXDVVDNABZHTE-JTQLQIEISA-N 1 0 235.352 3.809 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2C)cs1 ZINC000651205819 487701364 /nfs/dbraw/zinc/70/13/64/487701364.db2.gz AOXDVVDNABZHTE-SNVBAGLBSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1occc1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000651205846 487701371 /nfs/dbraw/zinc/70/13/71/487701371.db2.gz HDVDWFHYYQPKBM-HNNXBMFYSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000651205847 487701024 /nfs/dbraw/zinc/70/10/24/487701024.db2.gz HDVDWFHYYQPKBM-OAHLLOKOSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1ccsc1 ZINC000651205848 487701506 /nfs/dbraw/zinc/70/15/06/487701506.db2.gz IOCCMXFUXBPDHH-CYBMUJFWSA-N 1 0 235.352 3.890 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1ccsc1 ZINC000651205849 487701031 /nfs/dbraw/zinc/70/10/31/487701031.db2.gz IOCCMXFUXBPDHH-ZDUSSCGKSA-N 1 0 235.352 3.890 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccoc1C ZINC000651205900 487700986 /nfs/dbraw/zinc/70/09/86/487700986.db2.gz ZECDCRVTRHPMGW-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccoc1C ZINC000651205901 487701191 /nfs/dbraw/zinc/70/11/91/487701191.db2.gz ZECDCRVTRHPMGW-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(C(C)C)no1 ZINC000651229806 410870657 /nfs/dbraw/zinc/87/06/57/410870657.db2.gz NCXJYPIUNJQSMW-LLVKDONJSA-N 1 0 238.375 3.712 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(C(C)C)no1 ZINC000651229807 410871625 /nfs/dbraw/zinc/87/16/25/410871625.db2.gz NCXJYPIUNJQSMW-NSHDSACASA-N 1 0 238.375 3.712 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651238063 487705653 /nfs/dbraw/zinc/70/56/53/487705653.db2.gz NDUJABHDLFYNQC-HZSPNIEDSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651238064 487705683 /nfs/dbraw/zinc/70/56/83/487705683.db2.gz NDUJABHDLFYNQC-IHRRRGAJSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651238065 487706087 /nfs/dbraw/zinc/70/60/87/487706087.db2.gz NDUJABHDLFYNQC-MELADBBJSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000651238066 487706019 /nfs/dbraw/zinc/70/60/19/487706019.db2.gz NDUJABHDLFYNQC-RDBSUJKOSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000651240608 410877702 /nfs/dbraw/zinc/87/77/02/410877702.db2.gz CYJXYJUEAJHIMM-LLVKDONJSA-N 1 0 240.416 3.674 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000651240609 410877070 /nfs/dbraw/zinc/87/70/70/410877070.db2.gz CYJXYJUEAJHIMM-NSHDSACASA-N 1 0 240.416 3.674 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)c1ccncc1)C1CCC1 ZINC000651243552 410880688 /nfs/dbraw/zinc/88/06/88/410880688.db2.gz BTRCFRAEWHYBRJ-BBRMVZONSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)c1ccncc1)C1CCC1 ZINC000651243553 410880668 /nfs/dbraw/zinc/88/06/68/410880668.db2.gz BTRCFRAEWHYBRJ-CJNGLKHVSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CCC1 ZINC000651243554 410879228 /nfs/dbraw/zinc/87/92/28/410879228.db2.gz BTRCFRAEWHYBRJ-CZUORRHYSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)c1ccncc1)C1CCC1 ZINC000651243555 410880805 /nfs/dbraw/zinc/88/08/05/410880805.db2.gz BTRCFRAEWHYBRJ-XJKSGUPXSA-N 1 0 246.398 3.744 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000651243611 410879011 /nfs/dbraw/zinc/87/90/11/410879011.db2.gz WIQNJVAJJQSITQ-CHWSQXEVSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000651243612 410878974 /nfs/dbraw/zinc/87/89/74/410878974.db2.gz WIQNJVAJJQSITQ-OLZOCXBDSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000651243613 410879496 /nfs/dbraw/zinc/87/94/96/410879496.db2.gz WIQNJVAJJQSITQ-QWHCGFSZSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000651243614 410880418 /nfs/dbraw/zinc/88/04/18/410880418.db2.gz WIQNJVAJJQSITQ-STQMWFEESA-N 1 0 234.387 3.599 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@H]1CCCC[C@H]1C ZINC000651250100 410879624 /nfs/dbraw/zinc/87/96/24/410879624.db2.gz MTJDUKDMBRJHOF-BZPMIXESSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@H]1CCCC[C@H]1C ZINC000651250101 410879801 /nfs/dbraw/zinc/87/98/01/410879801.db2.gz MTJDUKDMBRJHOF-DYEKYZERSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@@H]1CCCC[C@H]1C ZINC000651250102 410879045 /nfs/dbraw/zinc/87/90/45/410879045.db2.gz MTJDUKDMBRJHOF-MBNYWOFBSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@@H]1CCCC[C@H]1C ZINC000651250103 410879953 /nfs/dbraw/zinc/87/99/53/410879953.db2.gz MTJDUKDMBRJHOF-YRGRVCCFSA-N 1 0 207.361 3.509 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CC=CC2)c2sccc21 ZINC000651250122 410878733 /nfs/dbraw/zinc/87/87/33/410878733.db2.gz VBZVFPLIXPILFS-GWCFXTLKSA-N 1 0 233.380 3.995 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CC=CC2)c2sccc21 ZINC000651250123 410878760 /nfs/dbraw/zinc/87/87/60/410878760.db2.gz VBZVFPLIXPILFS-GXFFZTMASA-N 1 0 233.380 3.995 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CC=CC2)c2sccc21 ZINC000651250124 410879576 /nfs/dbraw/zinc/87/95/76/410879576.db2.gz VBZVFPLIXPILFS-MFKMUULPSA-N 1 0 233.380 3.995 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)c2sccc21 ZINC000651250125 410879531 /nfs/dbraw/zinc/87/95/31/410879531.db2.gz VBZVFPLIXPILFS-ZWNOBZJWSA-N 1 0 233.380 3.995 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000651254935 410887035 /nfs/dbraw/zinc/88/70/35/410887035.db2.gz QCPACAWMZLJREG-AOLWHUPESA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000651254936 410886203 /nfs/dbraw/zinc/88/62/03/410886203.db2.gz QCPACAWMZLJREG-ATVPRXPUSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000651254937 410886313 /nfs/dbraw/zinc/88/63/13/410886313.db2.gz QCPACAWMZLJREG-OEYIWLLWSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000651254938 410886985 /nfs/dbraw/zinc/88/69/85/410886985.db2.gz QCPACAWMZLJREG-ZGMNHVEMSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)C)c1ccncc1 ZINC000651264552 410889396 /nfs/dbraw/zinc/88/93/96/410889396.db2.gz YZYOEKXHVSWJSY-AWEZNQCLSA-N 1 0 234.387 3.949 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(C)C)c1ccncc1 ZINC000651264553 410888357 /nfs/dbraw/zinc/88/83/57/410888357.db2.gz YZYOEKXHVSWJSY-CQSZACIVSA-N 1 0 234.387 3.949 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC1CCC1 ZINC000651268478 410891644 /nfs/dbraw/zinc/89/16/44/410891644.db2.gz DRRDTCSCFGPSJP-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+]CCC1CCC1 ZINC000651268480 410891407 /nfs/dbraw/zinc/89/14/07/410891407.db2.gz DRRDTCSCFGPSJP-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]([NH2+]C(C(C)C)C(C)C)c1ccncc1 ZINC000651273050 410893938 /nfs/dbraw/zinc/89/39/38/410893938.db2.gz JWYSNEUNICBNIB-AWEZNQCLSA-N 1 0 234.387 3.803 20 0 BHADRO CC[C@@H]([NH2+]C(C(C)C)C(C)C)c1ccncc1 ZINC000651273051 410894675 /nfs/dbraw/zinc/89/46/75/410894675.db2.gz JWYSNEUNICBNIB-CQSZACIVSA-N 1 0 234.387 3.803 20 0 BHADRO c1csc(CCC[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000651283682 410901075 /nfs/dbraw/zinc/90/10/75/410901075.db2.gz JLEQGLDSTBYTBY-HNNXBMFYSA-N 1 0 249.423 3.849 20 0 BHADRO c1csc(CCC[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000651283683 410901190 /nfs/dbraw/zinc/90/11/90/410901190.db2.gz JLEQGLDSTBYTBY-OAHLLOKOSA-N 1 0 249.423 3.849 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000651285486 410900292 /nfs/dbraw/zinc/90/02/92/410900292.db2.gz XHQMUBZWHLNSIH-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000651285487 410901363 /nfs/dbraw/zinc/90/13/63/410901363.db2.gz XHQMUBZWHLNSIH-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000651291890 410904474 /nfs/dbraw/zinc/90/44/74/410904474.db2.gz CELFUSUZZRTVQE-CBBWQLFWSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000651291891 410904252 /nfs/dbraw/zinc/90/42/52/410904252.db2.gz CELFUSUZZRTVQE-QPSCCSFWSA-N 1 0 246.398 3.947 20 0 BHADRO FC1(F)CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651300836 410908713 /nfs/dbraw/zinc/90/87/13/410908713.db2.gz ORBIXAJWXCZGGU-CHWSQXEVSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651300837 410908116 /nfs/dbraw/zinc/90/81/16/410908116.db2.gz ORBIXAJWXCZGGU-OLZOCXBDSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651300838 410908377 /nfs/dbraw/zinc/90/83/77/410908377.db2.gz ORBIXAJWXCZGGU-QWHCGFSZSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651300839 410908618 /nfs/dbraw/zinc/90/86/18/410908618.db2.gz ORBIXAJWXCZGGU-STQMWFEESA-N 1 0 243.341 3.733 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651300840 410908137 /nfs/dbraw/zinc/90/81/37/410908137.db2.gz PQRLGWNIMULMMA-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000651300841 410907787 /nfs/dbraw/zinc/90/77/87/410907787.db2.gz PQRLGWNIMULMMA-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651300842 410908854 /nfs/dbraw/zinc/90/88/54/410908854.db2.gz PQRLGWNIMULMMA-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000651300843 410907801 /nfs/dbraw/zinc/90/78/01/410907801.db2.gz PQRLGWNIMULMMA-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000651343730 410926855 /nfs/dbraw/zinc/92/68/55/410926855.db2.gz QFXRWHRNPRNJEO-RVMXOQNASA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000651343731 410926402 /nfs/dbraw/zinc/92/64/02/410926402.db2.gz QFXRWHRNPRNJEO-WUHRBBMRSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000651343732 410926706 /nfs/dbraw/zinc/92/67/06/410926706.db2.gz QFXRWHRNPRNJEO-XQHKEYJVSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000651343733 410925568 /nfs/dbraw/zinc/92/55/68/410925568.db2.gz QFXRWHRNPRNJEO-YVECIDJPSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000651345990 410929340 /nfs/dbraw/zinc/92/93/40/410929340.db2.gz XVIFOXZDCWLRJA-IDKOKCKLSA-N 1 0 237.309 3.742 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000651345991 410928918 /nfs/dbraw/zinc/92/89/18/410928918.db2.gz XVIFOXZDCWLRJA-XNWIYYODSA-N 1 0 237.309 3.742 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000651345992 410929416 /nfs/dbraw/zinc/92/94/16/410929416.db2.gz YCBCSYADCKLHAD-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000651345993 410927991 /nfs/dbraw/zinc/92/79/91/410927991.db2.gz YCBCSYADCKLHAD-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000651345994 410928577 /nfs/dbraw/zinc/92/85/77/410928577.db2.gz YCBCSYADCKLHAD-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000651345995 410928217 /nfs/dbraw/zinc/92/82/17/410928217.db2.gz YCBCSYADCKLHAD-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCC(C)(F)F)s1 ZINC000651358912 410947616 /nfs/dbraw/zinc/94/76/16/410947616.db2.gz IYAKZMBAFVIJCH-MRVPVSSYSA-N 1 0 248.342 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCC(C)(F)F)s1 ZINC000651358913 410948138 /nfs/dbraw/zinc/94/81/38/410948138.db2.gz IYAKZMBAFVIJCH-QMMMGPOBSA-N 1 0 248.342 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC2=CCCCC2)s1 ZINC000651373023 410957728 /nfs/dbraw/zinc/95/77/28/410957728.db2.gz JVJMVHOIUFTWJG-JTQLQIEISA-N 1 0 236.384 3.603 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC2=CCCCC2)s1 ZINC000651373024 410957288 /nfs/dbraw/zinc/95/72/88/410957288.db2.gz JVJMVHOIUFTWJG-SNVBAGLBSA-N 1 0 236.384 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCCC2)c(C)n1 ZINC000651373034 410958626 /nfs/dbraw/zinc/95/86/26/410958626.db2.gz OPLKMVQHTLYFDU-CYBMUJFWSA-N 1 0 244.382 3.849 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2=CCCCC2)c(C)n1 ZINC000651373035 410958570 /nfs/dbraw/zinc/95/85/70/410958570.db2.gz OPLKMVQHTLYFDU-ZDUSSCGKSA-N 1 0 244.382 3.849 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000651389696 410974239 /nfs/dbraw/zinc/97/42/39/410974239.db2.gz VLJVBQJKTKXORV-BNOWGMLFSA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651389697 410975352 /nfs/dbraw/zinc/97/53/52/410975352.db2.gz VLJVBQJKTKXORV-IACUBPJLSA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000651389698 410974965 /nfs/dbraw/zinc/97/49/65/410974965.db2.gz VLJVBQJKTKXORV-MRVWCRGKSA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651389699 410974363 /nfs/dbraw/zinc/97/43/63/410974363.db2.gz VLJVBQJKTKXORV-YUTCNCBUSA-N 1 0 249.402 3.585 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C1(CC)CC1 ZINC000651396532 410977660 /nfs/dbraw/zinc/97/76/60/410977660.db2.gz GZRURGHPBVVLBV-LLVKDONJSA-N 1 0 223.385 3.601 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C1(CC)CC1 ZINC000651396533 410978330 /nfs/dbraw/zinc/97/83/30/410978330.db2.gz GZRURGHPBVVLBV-NSHDSACASA-N 1 0 223.385 3.601 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651408127 487729338 /nfs/dbraw/zinc/72/93/38/487729338.db2.gz JWWXVEYWIJLDDV-NEPJUHHUSA-N 1 0 235.375 3.504 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000651408128 487729422 /nfs/dbraw/zinc/72/94/22/487729422.db2.gz JWWXVEYWIJLDDV-NWDGAFQWSA-N 1 0 235.375 3.504 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651408129 487729448 /nfs/dbraw/zinc/72/94/48/487729448.db2.gz JWWXVEYWIJLDDV-RYUDHWBXSA-N 1 0 235.375 3.504 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000651408130 487729411 /nfs/dbraw/zinc/72/94/11/487729411.db2.gz JWWXVEYWIJLDDV-VXGBXAGGSA-N 1 0 235.375 3.504 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(C)(C)C ZINC000651415244 410997354 /nfs/dbraw/zinc/99/73/54/410997354.db2.gz XCTJPMZYVZJQFT-GWCFXTLKSA-N 1 0 237.391 3.584 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(C)(C)C ZINC000651415245 410997342 /nfs/dbraw/zinc/99/73/42/410997342.db2.gz XCTJPMZYVZJQFT-GXFFZTMASA-N 1 0 237.391 3.584 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)C(C)(C)C ZINC000651415246 410997183 /nfs/dbraw/zinc/99/71/83/410997183.db2.gz XCTJPMZYVZJQFT-MFKMUULPSA-N 1 0 237.391 3.584 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)C(C)(C)C ZINC000651415247 410997251 /nfs/dbraw/zinc/99/72/51/410997251.db2.gz XCTJPMZYVZJQFT-ZWNOBZJWSA-N 1 0 237.391 3.584 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c(C)n1 ZINC000651453572 411037559 /nfs/dbraw/zinc/03/75/59/411037559.db2.gz QIDXOEQTCYRBIH-INWMFGNUSA-N 1 0 246.398 3.641 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c(C)n1 ZINC000651453573 411037270 /nfs/dbraw/zinc/03/72/70/411037270.db2.gz QIDXOEQTCYRBIH-NOLJZWGESA-N 1 0 246.398 3.641 20 0 BHADRO Cc1ccc(F)c(CC[NH2+][C@H](C)c2ccoc2)c1 ZINC000651454318 411037750 /nfs/dbraw/zinc/03/77/50/411037750.db2.gz QKKXIHFKVCJOAI-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(F)c(CC[NH2+][C@@H](C)c2ccoc2)c1 ZINC000651454319 411037890 /nfs/dbraw/zinc/03/78/90/411037890.db2.gz QKKXIHFKVCJOAI-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)C(C)(C)C ZINC000651469457 411051262 /nfs/dbraw/zinc/05/12/62/411051262.db2.gz OHWCLIIRYMLVEJ-KPPDAEKUSA-N 1 0 249.345 3.561 20 0 BHADRO C[C@H]([NH2+]C1CCC(OC(F)F)CC1)C(C)(C)C ZINC000651469458 411050904 /nfs/dbraw/zinc/05/09/04/411050904.db2.gz OHWCLIIRYMLVEJ-WHXUTIOJSA-N 1 0 249.345 3.561 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)c(C)n1 ZINC000651471651 411052862 /nfs/dbraw/zinc/05/28/62/411052862.db2.gz XZWIAMGGJNNWLP-OCCSQVGLSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)c(C)n1 ZINC000651471652 411052264 /nfs/dbraw/zinc/05/22/64/411052264.db2.gz XZWIAMGGJNNWLP-TZMCWYRMSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000651476416 411057864 /nfs/dbraw/zinc/05/78/64/411057864.db2.gz IERGDKVLFAUHBW-AAEUAGOBSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000651476417 411057300 /nfs/dbraw/zinc/05/73/00/411057300.db2.gz IERGDKVLFAUHBW-DGCLKSJQSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000651476418 411057651 /nfs/dbraw/zinc/05/76/51/411057651.db2.gz IERGDKVLFAUHBW-WCQYABFASA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000651476419 411057229 /nfs/dbraw/zinc/05/72/29/411057229.db2.gz IERGDKVLFAUHBW-YPMHNXCESA-N 1 0 249.402 3.585 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c(C)n1 ZINC000651478334 411059391 /nfs/dbraw/zinc/05/93/91/411059391.db2.gz XZWIAMGGJNNWLP-GXTWGEPZSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c(C)n1 ZINC000651478335 411059365 /nfs/dbraw/zinc/05/93/65/411059365.db2.gz XZWIAMGGJNNWLP-JSGCOSHPSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000651479500 487751752 /nfs/dbraw/zinc/75/17/52/487751752.db2.gz CLUIRLLXMQJAFF-MNXVOIDGSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000651479501 487751684 /nfs/dbraw/zinc/75/16/84/487751684.db2.gz CLUIRLLXMQJAFF-OWTLIXCDSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000651479502 487751875 /nfs/dbraw/zinc/75/18/75/487751875.db2.gz CLUIRLLXMQJAFF-UHXUPSOCSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000651479503 487751715 /nfs/dbraw/zinc/75/17/15/487751715.db2.gz CLUIRLLXMQJAFF-ZJQBRPOHSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000651483439 411064636 /nfs/dbraw/zinc/06/46/36/411064636.db2.gz IRMVNGMQRCQBAI-LLVKDONJSA-N 1 0 247.386 3.505 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000651483440 411065897 /nfs/dbraw/zinc/06/58/97/411065897.db2.gz IRMVNGMQRCQBAI-NSHDSACASA-N 1 0 247.386 3.505 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCC1CC(F)(F)C1 ZINC000651484483 411065485 /nfs/dbraw/zinc/06/54/85/411065485.db2.gz DZDVQXILQSJMLN-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCC1CC(F)(F)C1 ZINC000651484484 411065206 /nfs/dbraw/zinc/06/52/06/411065206.db2.gz DZDVQXILQSJMLN-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000651493431 411072622 /nfs/dbraw/zinc/07/26/22/411072622.db2.gz YRNROPFNJOMERR-NXEZZACHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000651493432 411073008 /nfs/dbraw/zinc/07/30/08/411073008.db2.gz YRNROPFNJOMERR-UWVGGRQHSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)s1 ZINC000651493433 411072890 /nfs/dbraw/zinc/07/28/90/411072890.db2.gz YRNROPFNJOMERR-VHSXEESVSA-N 1 0 240.416 3.927 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)s1 ZINC000651493434 411074223 /nfs/dbraw/zinc/07/42/23/411074223.db2.gz YRNROPFNJOMERR-ZJUUUORDSA-N 1 0 240.416 3.927 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000651494312 411073630 /nfs/dbraw/zinc/07/36/30/411073630.db2.gz SVRHONLIRSYUBI-ABAIWWIYSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000651494313 411072984 /nfs/dbraw/zinc/07/29/84/411072984.db2.gz SVRHONLIRSYUBI-IAQYHMDHSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000651494314 411072805 /nfs/dbraw/zinc/07/28/05/411072805.db2.gz SVRHONLIRSYUBI-NHYWBVRUSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000651494315 411072631 /nfs/dbraw/zinc/07/26/31/411072631.db2.gz SVRHONLIRSYUBI-XHDPSFHLSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](C[NH2+]CCC1CC(F)(F)C1)C(C)(C)C ZINC000651596425 411127909 /nfs/dbraw/zinc/12/79/09/411127909.db2.gz GTLUWEDIFQQLGP-JTQLQIEISA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]CCC1CC(F)(F)C1)C(C)(C)C ZINC000651596426 411127843 /nfs/dbraw/zinc/12/78/43/411127843.db2.gz GTLUWEDIFQQLGP-SNVBAGLBSA-N 1 0 233.346 3.694 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651605560 411129099 /nfs/dbraw/zinc/12/90/99/411129099.db2.gz LKGCAZIWAYKPRL-CYBMUJFWSA-N 1 0 244.338 3.592 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651605561 411129128 /nfs/dbraw/zinc/12/91/28/411129128.db2.gz LKGCAZIWAYKPRL-ZDUSSCGKSA-N 1 0 244.338 3.592 20 0 BHADRO C[N@H+](Cc1cc2cnccc2o1)C1CCCCC1 ZINC000651605875 411129151 /nfs/dbraw/zinc/12/91/51/411129151.db2.gz XKWAWDMRMMGAAU-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CCCC[N@H+](Cc1cc2cnccc2o1)C1CC1 ZINC000651613465 411130576 /nfs/dbraw/zinc/13/05/76/411130576.db2.gz BPMOFGZPIYFVNR-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CC[N@H+](Cc1cc2cnccc2o1)C1CCCC1 ZINC000651614695 411130537 /nfs/dbraw/zinc/13/05/37/411130537.db2.gz RMUYGXTVVPIJQW-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CCC[N@@H+](Cc1cc2cnccc2o1)CC(C)C ZINC000651616188 411130638 /nfs/dbraw/zinc/13/06/38/411130638.db2.gz SEJQLYLGEXMUIF-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc2cnccc2o1)C(C)(C)C ZINC000651616483 487800695 /nfs/dbraw/zinc/80/06/95/487800695.db2.gz CLOMWJUIRCYEPL-LLVKDONJSA-N 1 0 246.354 3.694 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc2cnccc2o1)C(C)(C)C ZINC000651616484 487800703 /nfs/dbraw/zinc/80/07/03/487800703.db2.gz CLOMWJUIRCYEPL-NSHDSACASA-N 1 0 246.354 3.694 20 0 BHADRO CC(C)C[N@H+](Cc1cc2cnccc2o1)C(C)C ZINC000651618952 487800450 /nfs/dbraw/zinc/80/04/50/487800450.db2.gz AWZMMAZRYVYFRX-UHFFFAOYSA-N 1 0 246.354 3.694 20 0 BHADRO CC[N@H+](Cc1cc2cnccc2o1)[C@H](C)C(C)C ZINC000651625388 411131414 /nfs/dbraw/zinc/13/14/14/411131414.db2.gz BLZRVARHYKVJNW-GFCCVEGCSA-N 1 0 246.354 3.694 20 0 BHADRO CC[N@H+](Cc1cc2cnccc2o1)[C@@H](C)C(C)C ZINC000651625389 411131398 /nfs/dbraw/zinc/13/13/98/411131398.db2.gz BLZRVARHYKVJNW-LBPRGKRZSA-N 1 0 246.354 3.694 20 0 BHADRO CC(C)[N@H+](Cc1cc2cnccc2o1)C1CCC1 ZINC000651644069 487809806 /nfs/dbraw/zinc/80/98/06/487809806.db2.gz BBISEGXZGQJOKA-UHFFFAOYSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1cc2cnccc2o1 ZINC000651648636 487811381 /nfs/dbraw/zinc/81/13/81/487811381.db2.gz DQYLIRKQQNVMSE-GFCCVEGCSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1cc2cnccc2o1 ZINC000651648637 487811460 /nfs/dbraw/zinc/81/14/60/487811460.db2.gz DQYLIRKQQNVMSE-LBPRGKRZSA-N 1 0 246.354 3.696 20 0 BHADRO c1cc(C[NH2+]Cc2cccc3c2CCC3)cs1 ZINC000651664518 487813674 /nfs/dbraw/zinc/81/36/74/487813674.db2.gz SKJWENIATFCVOE-UHFFFAOYSA-N 1 0 243.375 3.527 20 0 BHADRO c1csc(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000651665593 487813106 /nfs/dbraw/zinc/81/31/06/487813106.db2.gz CQHQGASREIQUCU-UHFFFAOYSA-N 1 0 243.375 3.527 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000651666132 411133365 /nfs/dbraw/zinc/13/33/65/411133365.db2.gz QMOZFXNMXBLDCM-UHFFFAOYSA-N 1 0 249.741 3.785 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651666776 487813932 /nfs/dbraw/zinc/81/39/32/487813932.db2.gz NVHRVFVCVMRBRO-GFCCVEGCSA-N 1 0 246.354 3.742 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651666777 487813856 /nfs/dbraw/zinc/81/38/56/487813856.db2.gz NVHRVFVCVMRBRO-LBPRGKRZSA-N 1 0 246.354 3.742 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000651667508 411133512 /nfs/dbraw/zinc/13/35/12/411133512.db2.gz FQNCSOBMPRDMDB-UHFFFAOYSA-N 1 0 225.335 3.539 20 0 BHADRO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651668324 411134353 /nfs/dbraw/zinc/13/43/53/411134353.db2.gz GUTJKSVBATVRSD-CYBMUJFWSA-N 1 0 240.350 3.809 20 0 BHADRO CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651668325 411134014 /nfs/dbraw/zinc/13/40/14/411134014.db2.gz GUTJKSVBATVRSD-ZDUSSCGKSA-N 1 0 240.350 3.809 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000651668758 411134453 /nfs/dbraw/zinc/13/44/53/411134453.db2.gz XQBWHIRDHDWEAF-UHFFFAOYSA-N 1 0 243.325 3.678 20 0 BHADRO CC1([NH2+]Cc2cc3cnccc3o2)CCCCC1 ZINC000651669320 487814342 /nfs/dbraw/zinc/81/43/42/487814342.db2.gz PQYCPLOFGFTTMI-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO c1c2cnccc2oc1C[NH2+]C1CCCCCC1 ZINC000651670077 411133536 /nfs/dbraw/zinc/13/35/36/411133536.db2.gz UCYHICVIXMJTRS-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670905 411134709 /nfs/dbraw/zinc/13/47/09/411134709.db2.gz ZKQJRMFPRSTKAL-GFCCVEGCSA-N 1 0 238.334 3.562 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670907 411134967 /nfs/dbraw/zinc/13/49/67/411134967.db2.gz ZKQJRMFPRSTKAL-LBPRGKRZSA-N 1 0 238.334 3.562 20 0 BHADRO CC(C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651671378 411134812 /nfs/dbraw/zinc/13/48/12/411134812.db2.gz PBKPMMPSRNLCFN-CYBMUJFWSA-N 1 0 240.350 3.808 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651671379 411134723 /nfs/dbraw/zinc/13/47/23/411134723.db2.gz PBKPMMPSRNLCFN-ZDUSSCGKSA-N 1 0 240.350 3.808 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000651671691 411134712 /nfs/dbraw/zinc/13/47/12/411134712.db2.gz AGCCHQBHUPVBHM-CHWSQXEVSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000651671692 411134634 /nfs/dbraw/zinc/13/46/34/411134634.db2.gz AGCCHQBHUPVBHM-OLZOCXBDSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000651671693 411134729 /nfs/dbraw/zinc/13/47/29/411134729.db2.gz AGCCHQBHUPVBHM-QWHCGFSZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000651671694 411134796 /nfs/dbraw/zinc/13/47/96/411134796.db2.gz AGCCHQBHUPVBHM-STQMWFEESA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000651672492 411134947 /nfs/dbraw/zinc/13/49/47/411134947.db2.gz BBEGDSOZEAAQPP-AAEUAGOBSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000651672493 411134618 /nfs/dbraw/zinc/13/46/18/411134618.db2.gz BBEGDSOZEAAQPP-DGCLKSJQSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000651672494 411134717 /nfs/dbraw/zinc/13/47/17/411134717.db2.gz BBEGDSOZEAAQPP-WCQYABFASA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000651672495 411134940 /nfs/dbraw/zinc/13/49/40/411134940.db2.gz BBEGDSOZEAAQPP-YPMHNXCESA-N 1 0 238.400 3.510 20 0 BHADRO CCC1(CC)CCC([NH2+]CCCCOC)CC1 ZINC000651679035 487816349 /nfs/dbraw/zinc/81/63/49/487816349.db2.gz MXCIKZJGPQZHJI-UHFFFAOYSA-N 1 0 241.419 3.752 20 0 BHADRO Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CCC1)CC2 ZINC000651701079 490134060 /nfs/dbraw/zinc/13/40/60/490134060.db2.gz FGFMGVCBBOOZIQ-LLVKDONJSA-N 1 0 239.721 3.609 20 0 BHADRO Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CCC1)CC2 ZINC000651701080 490133927 /nfs/dbraw/zinc/13/39/27/490133927.db2.gz FGFMGVCBBOOZIQ-NSHDSACASA-N 1 0 239.721 3.609 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1scnc1C ZINC000651704801 411137436 /nfs/dbraw/zinc/13/74/36/411137436.db2.gz YOKQOZBHWFQOGN-CHWSQXEVSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1scnc1C ZINC000651704802 411137549 /nfs/dbraw/zinc/13/75/49/411137549.db2.gz YOKQOZBHWFQOGN-OLZOCXBDSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1scnc1C ZINC000651704803 411137587 /nfs/dbraw/zinc/13/75/87/411137587.db2.gz YOKQOZBHWFQOGN-QWHCGFSZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1scnc1C ZINC000651704804 411137446 /nfs/dbraw/zinc/13/74/46/411137446.db2.gz YOKQOZBHWFQOGN-STQMWFEESA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000651706159 411137099 /nfs/dbraw/zinc/13/70/99/411137099.db2.gz VFKLVKNNDWVGIZ-CHWSQXEVSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000651706160 411137157 /nfs/dbraw/zinc/13/71/57/411137157.db2.gz VFKLVKNNDWVGIZ-OLZOCXBDSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000651706161 411137335 /nfs/dbraw/zinc/13/73/35/411137335.db2.gz VFKLVKNNDWVGIZ-QWHCGFSZSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000651706162 411137313 /nfs/dbraw/zinc/13/73/13/411137313.db2.gz VFKLVKNNDWVGIZ-STQMWFEESA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000651709133 411137402 /nfs/dbraw/zinc/13/74/02/411137402.db2.gz LNEBZMDUVJJHKL-KBPBESRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000651709134 411137482 /nfs/dbraw/zinc/13/74/82/411137482.db2.gz LNEBZMDUVJJHKL-KGLIPLIRSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000651709135 411137389 /nfs/dbraw/zinc/13/73/89/411137389.db2.gz LNEBZMDUVJJHKL-UONOGXRCSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000651709136 411137410 /nfs/dbraw/zinc/13/74/10/411137410.db2.gz LNEBZMDUVJJHKL-ZIAGYGMSSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000651709334 411137663 /nfs/dbraw/zinc/13/76/63/411137663.db2.gz SFRXQFRVEGLYCI-GXTWGEPZSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000651709335 411137847 /nfs/dbraw/zinc/13/78/47/411137847.db2.gz SFRXQFRVEGLYCI-JSGCOSHPSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000651709336 411137664 /nfs/dbraw/zinc/13/76/64/411137664.db2.gz SFRXQFRVEGLYCI-OCCSQVGLSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000651709337 411137713 /nfs/dbraw/zinc/13/77/13/411137713.db2.gz SFRXQFRVEGLYCI-TZMCWYRMSA-N 1 0 241.444 3.688 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cc2cnccc2o1 ZINC000651714932 411137967 /nfs/dbraw/zinc/13/79/67/411137967.db2.gz SOXQKVXWJRZXAR-UHFFFAOYSA-N 1 0 246.354 3.886 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000651715340 411138313 /nfs/dbraw/zinc/13/83/13/411138313.db2.gz JOLREWDVKATAJZ-AAEUAGOBSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000651715341 411138267 /nfs/dbraw/zinc/13/82/67/411138267.db2.gz JOLREWDVKATAJZ-DGCLKSJQSA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000651715342 411138085 /nfs/dbraw/zinc/13/80/85/411138085.db2.gz JOLREWDVKATAJZ-WCQYABFASA-N 1 0 238.400 3.510 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000651715343 411138168 /nfs/dbraw/zinc/13/81/68/411138168.db2.gz JOLREWDVKATAJZ-YPMHNXCESA-N 1 0 238.400 3.510 20 0 BHADRO CC(C)(C)CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651716819 411138368 /nfs/dbraw/zinc/13/83/68/411138368.db2.gz JIUMELPIXMPVRF-UHFFFAOYSA-N 1 0 246.354 3.744 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000651719622 411138428 /nfs/dbraw/zinc/13/84/28/411138428.db2.gz ZPYOWLFCTQHCSO-CABCVRRESA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000651719623 411138366 /nfs/dbraw/zinc/13/83/66/411138366.db2.gz ZPYOWLFCTQHCSO-GJZGRUSLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000651719624 411138388 /nfs/dbraw/zinc/13/83/88/411138388.db2.gz ZPYOWLFCTQHCSO-HUUCEWRRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000651719625 411138444 /nfs/dbraw/zinc/13/84/44/411138444.db2.gz ZPYOWLFCTQHCSO-LSDHHAIUSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000651722341 411139025 /nfs/dbraw/zinc/13/90/25/411139025.db2.gz IZFQMZFEJAQLDS-GHMZBOCLSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000651722342 411138842 /nfs/dbraw/zinc/13/88/42/411138842.db2.gz IZFQMZFEJAQLDS-MNOVXSKESA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000651722343 411138883 /nfs/dbraw/zinc/13/88/83/411138883.db2.gz IZFQMZFEJAQLDS-QWRGUYRKSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000651722344 411139023 /nfs/dbraw/zinc/13/90/23/411139023.db2.gz IZFQMZFEJAQLDS-WDEREUQCSA-N 1 0 237.309 3.887 20 0 BHADRO CCc1cccc(C[NH2+]CCCC(F)(F)F)c1 ZINC000651722599 411139027 /nfs/dbraw/zinc/13/90/27/411139027.db2.gz NQVZBMBVJWYNOZ-UHFFFAOYSA-N 1 0 245.288 3.681 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651724696 411139276 /nfs/dbraw/zinc/13/92/76/411139276.db2.gz DEIBFCRLEHHHCJ-NEPJUHHUSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651724697 411139200 /nfs/dbraw/zinc/13/92/00/411139200.db2.gz DEIBFCRLEHHHCJ-NWDGAFQWSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651724698 411139086 /nfs/dbraw/zinc/13/90/86/411139086.db2.gz DEIBFCRLEHHHCJ-RYUDHWBXSA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651724699 411139285 /nfs/dbraw/zinc/13/92/85/411139285.db2.gz DEIBFCRLEHHHCJ-VXGBXAGGSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1C)c1ccncc1 ZINC000651727157 411139244 /nfs/dbraw/zinc/13/92/44/411139244.db2.gz LEHXTNFIZMXRRS-FMKPAKJESA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1C)c1ccncc1 ZINC000651727158 411139112 /nfs/dbraw/zinc/13/91/12/411139112.db2.gz LEHXTNFIZMXRRS-IIAWOOMASA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1C)c1ccncc1 ZINC000651727159 411139158 /nfs/dbraw/zinc/13/91/58/411139158.db2.gz LEHXTNFIZMXRRS-LZWOXQAQSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1C)c1ccncc1 ZINC000651727160 411139245 /nfs/dbraw/zinc/13/92/45/411139245.db2.gz LEHXTNFIZMXRRS-SQWLQELKSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)c1ccncc1 ZINC000651727567 411139256 /nfs/dbraw/zinc/13/92/56/411139256.db2.gz VNHAKILLUIAZHK-CWRNSKLLSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000651727568 411139174 /nfs/dbraw/zinc/13/91/74/411139174.db2.gz VNHAKILLUIAZHK-FVQBIDKESA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C)c1ccncc1 ZINC000651727569 411139159 /nfs/dbraw/zinc/13/91/59/411139159.db2.gz VNHAKILLUIAZHK-NUEKZKHPSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000651727570 411139259 /nfs/dbraw/zinc/13/92/59/411139259.db2.gz VNHAKILLUIAZHK-VNQPRFMTSA-N 1 0 246.398 3.744 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2ccon2)CC1 ZINC000651729178 411139210 /nfs/dbraw/zinc/13/92/10/411139210.db2.gz YJCSVVBUUAQSLU-UHFFFAOYSA-N 1 0 236.359 3.513 20 0 BHADRO CC(C)C([NH2+]Cc1cc2cnccc2o1)C(C)C ZINC000651736683 411140117 /nfs/dbraw/zinc/14/01/17/411140117.db2.gz DQQPVSOIVVMKJT-UHFFFAOYSA-N 1 0 246.354 3.598 20 0 BHADRO CCc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000651737340 411140207 /nfs/dbraw/zinc/14/02/07/411140207.db2.gz AUMZUORWYLVQRR-CYBMUJFWSA-N 1 0 239.309 3.526 20 0 BHADRO CCc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000651737341 411139995 /nfs/dbraw/zinc/13/99/95/411139995.db2.gz AUMZUORWYLVQRR-ZDUSSCGKSA-N 1 0 239.309 3.526 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000651737451 411139984 /nfs/dbraw/zinc/13/99/84/411139984.db2.gz FQHUFDCTPXTMFT-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651737452 411140025 /nfs/dbraw/zinc/14/00/25/411140025.db2.gz FQHUFDCTPXTMFT-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651737453 411140147 /nfs/dbraw/zinc/14/01/47/411140147.db2.gz FQHUFDCTPXTMFT-UTUOFQBUSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000651737454 411140006 /nfs/dbraw/zinc/14/00/06/411140006.db2.gz FQHUFDCTPXTMFT-WOPDTQHZSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651737976 411140449 /nfs/dbraw/zinc/14/04/49/411140449.db2.gz XGDIDOYWUSOJEH-GRYCIOLGSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000651737977 411140242 /nfs/dbraw/zinc/14/02/42/411140242.db2.gz XGDIDOYWUSOJEH-IJLUTSLNSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000651737978 411140414 /nfs/dbraw/zinc/14/04/14/411140414.db2.gz XGDIDOYWUSOJEH-QJPTWQEYSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000651737979 411140370 /nfs/dbraw/zinc/14/03/70/411140370.db2.gz XGDIDOYWUSOJEH-SDDRHHMPSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000651740494 411140464 /nfs/dbraw/zinc/14/04/64/411140464.db2.gz CUIFUNPAHJQDOR-CVEARBPZSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000651740495 411140413 /nfs/dbraw/zinc/14/04/13/411140413.db2.gz CUIFUNPAHJQDOR-HOTGVXAUSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000651740496 411140374 /nfs/dbraw/zinc/14/03/74/411140374.db2.gz CUIFUNPAHJQDOR-HZPDHXFCSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000651740497 411140315 /nfs/dbraw/zinc/14/03/15/411140315.db2.gz CUIFUNPAHJQDOR-JKSUJKDBSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000651740754 411140377 /nfs/dbraw/zinc/14/03/77/411140377.db2.gz LWNXDKOUYGKRDY-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000651740755 411140240 /nfs/dbraw/zinc/14/02/40/411140240.db2.gz LWNXDKOUYGKRDY-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000651740756 411140265 /nfs/dbraw/zinc/14/02/65/411140265.db2.gz LWNXDKOUYGKRDY-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000651740757 411140416 /nfs/dbraw/zinc/14/04/16/411140416.db2.gz LWNXDKOUYGKRDY-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000651744192 490137222 /nfs/dbraw/zinc/13/72/22/490137222.db2.gz SYIVLJUZBSMXFI-GZBFAFLISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000651744193 490136958 /nfs/dbraw/zinc/13/69/58/490136958.db2.gz SYIVLJUZBSMXFI-KCQAQPDRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000651744194 490137301 /nfs/dbraw/zinc/13/73/01/490137301.db2.gz SYIVLJUZBSMXFI-UMVBOHGHSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000651744195 490137032 /nfs/dbraw/zinc/13/70/32/490137032.db2.gz SYIVLJUZBSMXFI-VNHYZAJKSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651746544 411141056 /nfs/dbraw/zinc/14/10/56/411141056.db2.gz UNSZWEJMDDZGEY-AIEDFZFUSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000651746545 411140925 /nfs/dbraw/zinc/14/09/25/411140925.db2.gz UNSZWEJMDDZGEY-NZBPQXDJSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000651746546 411140913 /nfs/dbraw/zinc/14/09/13/411140913.db2.gz UNSZWEJMDDZGEY-RJZRQDKASA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651746547 411140979 /nfs/dbraw/zinc/14/09/79/411140979.db2.gz UNSZWEJMDDZGEY-XLWJZTARSA-N 1 0 239.403 3.501 20 0 BHADRO CCC1([NH2+][C@H]2CCCCC[C@@H]2C)CCOCC1 ZINC000651754806 411141186 /nfs/dbraw/zinc/14/11/86/411141186.db2.gz OTVTZXGYZPUYDQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@H]2CCCCC[C@H]2C)CCOCC1 ZINC000651754807 411141331 /nfs/dbraw/zinc/14/13/31/411141331.db2.gz OTVTZXGYZPUYDQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@@H]2CCCCC[C@@H]2C)CCOCC1 ZINC000651754808 411141170 /nfs/dbraw/zinc/14/11/70/411141170.db2.gz OTVTZXGYZPUYDQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@@H]2CCCCC[C@H]2C)CCOCC1 ZINC000651754809 411141436 /nfs/dbraw/zinc/14/14/36/411141436.db2.gz OTVTZXGYZPUYDQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000651758934 411141981 /nfs/dbraw/zinc/14/19/81/411141981.db2.gz UXTOHLQPKVVDEB-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000651758935 411142044 /nfs/dbraw/zinc/14/20/44/411142044.db2.gz UXTOHLQPKVVDEB-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000651758936 411142029 /nfs/dbraw/zinc/14/20/29/411142029.db2.gz UXTOHLQPKVVDEB-RRFJBIMHSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000651758937 411142017 /nfs/dbraw/zinc/14/20/17/411142017.db2.gz UXTOHLQPKVVDEB-SOUVJXGZSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651759193 411142074 /nfs/dbraw/zinc/14/20/74/411142074.db2.gz DMZQNSBXVWIIQT-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651759194 411142047 /nfs/dbraw/zinc/14/20/47/411142047.db2.gz DMZQNSBXVWIIQT-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651759195 411142094 /nfs/dbraw/zinc/14/20/94/411142094.db2.gz DMZQNSBXVWIIQT-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651759196 411141865 /nfs/dbraw/zinc/14/18/65/411141865.db2.gz DMZQNSBXVWIIQT-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCCOC(C)C ZINC000651759387 411141939 /nfs/dbraw/zinc/14/19/39/411141939.db2.gz NECVONZNIBNFGP-CABCVRRESA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCCOC(C)C ZINC000651759388 411141911 /nfs/dbraw/zinc/14/19/11/411141911.db2.gz NECVONZNIBNFGP-GJZGRUSLSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCCOC(C)C ZINC000651759389 411142020 /nfs/dbraw/zinc/14/20/20/411142020.db2.gz NECVONZNIBNFGP-HUUCEWRRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCCOC(C)C ZINC000651759390 411142101 /nfs/dbraw/zinc/14/21/01/411142101.db2.gz NECVONZNIBNFGP-LSDHHAIUSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2ccno2)CC1 ZINC000651760550 411142112 /nfs/dbraw/zinc/14/21/12/411142112.db2.gz GBSYFZRQAGMDID-UHFFFAOYSA-N 1 0 236.359 3.513 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CCOC ZINC000651762178 411142233 /nfs/dbraw/zinc/14/22/33/411142233.db2.gz CRDMPHAWCILWTO-DZGCQCFKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CCOC ZINC000651762179 411142207 /nfs/dbraw/zinc/14/22/07/411142207.db2.gz CRDMPHAWCILWTO-HIFRSBDPSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CCOC ZINC000651762180 411142133 /nfs/dbraw/zinc/14/21/33/411142133.db2.gz CRDMPHAWCILWTO-UKRRQHHQSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CCOC ZINC000651762181 411142149 /nfs/dbraw/zinc/14/21/49/411142149.db2.gz CRDMPHAWCILWTO-ZFWWWQNUSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651762433 411142182 /nfs/dbraw/zinc/14/21/82/411142182.db2.gz UMYZJEGQAMUOMD-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000651762434 411142223 /nfs/dbraw/zinc/14/22/23/411142223.db2.gz UMYZJEGQAMUOMD-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651762435 411142298 /nfs/dbraw/zinc/14/22/98/411142298.db2.gz UMYZJEGQAMUOMD-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO COCCC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651762436 411142131 /nfs/dbraw/zinc/14/21/31/411142131.db2.gz UMYZJEGQAMUOMD-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cc2cnccc2o1 ZINC000651780286 411143313 /nfs/dbraw/zinc/14/33/13/411143313.db2.gz DUJWLYYYFPQSHH-UHFFFAOYSA-N 1 0 246.354 3.600 20 0 BHADRO C[N@H+](Cc1cc2cnccc2o1)C1(C)CCCC1 ZINC000651788313 411144129 /nfs/dbraw/zinc/14/41/29/411144129.db2.gz ARYLVUMFHQWLMP-UHFFFAOYSA-N 1 0 244.338 3.592 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790119 411143946 /nfs/dbraw/zinc/14/39/46/411143946.db2.gz LGEGXJJBKLYYJL-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790120 411144067 /nfs/dbraw/zinc/14/40/67/411144067.db2.gz LGEGXJJBKLYYJL-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790121 411143990 /nfs/dbraw/zinc/14/39/90/411143990.db2.gz LGEGXJJBKLYYJL-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790122 411144074 /nfs/dbraw/zinc/14/40/74/411144074.db2.gz LGEGXJJBKLYYJL-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790373 411143937 /nfs/dbraw/zinc/14/39/37/411143937.db2.gz UZSWVXWWVSULCR-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790374 411143959 /nfs/dbraw/zinc/14/39/59/411143959.db2.gz UZSWVXWWVSULCR-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790375 411144083 /nfs/dbraw/zinc/14/40/83/411144083.db2.gz UZSWVXWWVSULCR-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000651790376 411143941 /nfs/dbraw/zinc/14/39/41/411143941.db2.gz UZSWVXWWVSULCR-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C(C)(C)C(F)F ZINC000651790557 411144076 /nfs/dbraw/zinc/14/40/76/411144076.db2.gz ATVWUNZDLHVKNY-NXEZZACHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]C(C)(C)C(F)F ZINC000651790558 411144148 /nfs/dbraw/zinc/14/41/48/411144148.db2.gz ATVWUNZDLHVKNY-UWVGGRQHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]C(C)(C)C(F)F ZINC000651790559 411143923 /nfs/dbraw/zinc/14/39/23/411143923.db2.gz ATVWUNZDLHVKNY-VHSXEESVSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C(C)(C)C(F)F ZINC000651790560 411144176 /nfs/dbraw/zinc/14/41/76/411144176.db2.gz ATVWUNZDLHVKNY-ZJUUUORDSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000651791936 411144193 /nfs/dbraw/zinc/14/41/93/411144193.db2.gz VKHQYKSDWSDKFB-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000651791937 411144276 /nfs/dbraw/zinc/14/42/76/411144276.db2.gz VKHQYKSDWSDKFB-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000651791938 411144230 /nfs/dbraw/zinc/14/42/30/411144230.db2.gz VKHQYKSDWSDKFB-RWMBFGLXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000651791939 411144320 /nfs/dbraw/zinc/14/43/20/411144320.db2.gz VKHQYKSDWSDKFB-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805860 487828679 /nfs/dbraw/zinc/82/86/79/487828679.db2.gz FZLBLHBDDDHSCJ-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805861 487828713 /nfs/dbraw/zinc/82/87/13/487828713.db2.gz FZLBLHBDDDHSCJ-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805862 487828879 /nfs/dbraw/zinc/82/88/79/487828879.db2.gz FZLBLHBDDDHSCJ-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805863 487828672 /nfs/dbraw/zinc/82/86/72/487828672.db2.gz FZLBLHBDDDHSCJ-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805916 487828859 /nfs/dbraw/zinc/82/88/59/487828859.db2.gz ISRJNWJDNAAIRL-GHMZBOCLSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805917 487828819 /nfs/dbraw/zinc/82/88/19/487828819.db2.gz ISRJNWJDNAAIRL-MNOVXSKESA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805918 487828727 /nfs/dbraw/zinc/82/87/27/487828727.db2.gz ISRJNWJDNAAIRL-QWRGUYRKSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000651805919 487828865 /nfs/dbraw/zinc/82/88/65/487828865.db2.gz ISRJNWJDNAAIRL-WDEREUQCSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc2cnccc2o1 ZINC000651811193 411144858 /nfs/dbraw/zinc/14/48/58/411144858.db2.gz LPTQYYSKFLCGQT-AAEUAGOBSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc2cnccc2o1 ZINC000651811194 411144844 /nfs/dbraw/zinc/14/48/44/411144844.db2.gz LPTQYYSKFLCGQT-DGCLKSJQSA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc2cnccc2o1 ZINC000651811195 411144948 /nfs/dbraw/zinc/14/49/48/411144948.db2.gz LPTQYYSKFLCGQT-WCQYABFASA-N 1 0 244.338 3.591 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc2cnccc2o1 ZINC000651811196 411144952 /nfs/dbraw/zinc/14/49/52/411144952.db2.gz LPTQYYSKFLCGQT-YPMHNXCESA-N 1 0 244.338 3.591 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812091 411144791 /nfs/dbraw/zinc/14/47/91/411144791.db2.gz JVESEZPYAKETIQ-HBIQZDMRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812092 411144977 /nfs/dbraw/zinc/14/49/77/411144977.db2.gz JVESEZPYAKETIQ-WNYYMSAVSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812093 411144910 /nfs/dbraw/zinc/14/49/10/411144910.db2.gz JVESEZPYAKETIQ-XKGSQUFQSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812094 411144816 /nfs/dbraw/zinc/14/48/16/411144816.db2.gz JVESEZPYAKETIQ-YYJSSNLHSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000651812137 411144882 /nfs/dbraw/zinc/14/48/82/411144882.db2.gz NBGPLTOQMAQKKA-BFHYXJOUSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000651812138 411144974 /nfs/dbraw/zinc/14/49/74/411144974.db2.gz NBGPLTOQMAQKKA-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000651812139 411144970 /nfs/dbraw/zinc/14/49/70/411144970.db2.gz NBGPLTOQMAQKKA-MELADBBJSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000651812140 411144876 /nfs/dbraw/zinc/14/48/76/411144876.db2.gz NBGPLTOQMAQKKA-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812346 411144847 /nfs/dbraw/zinc/14/48/47/411144847.db2.gz VRTAIRGIFIQNKN-HCWSGVFWSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812347 411144828 /nfs/dbraw/zinc/14/48/28/411144828.db2.gz VRTAIRGIFIQNKN-KIDURHIOSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812348 411144815 /nfs/dbraw/zinc/14/48/15/411144815.db2.gz VRTAIRGIFIQNKN-MMVSWEMESA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000651812349 411144991 /nfs/dbraw/zinc/14/49/91/411144991.db2.gz VRTAIRGIFIQNKN-QQFIATSDSA-N 1 0 249.320 3.886 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cc2cnccc2o1 ZINC000651812870 642771487 /nfs/dbraw/zinc/77/14/87/642771487.db2.gz NWNHRIHPPPGTFT-UHFFFAOYSA-N 1 0 246.354 3.838 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cc2cnccc2o1 ZINC000651814998 487835318 /nfs/dbraw/zinc/83/53/18/487835318.db2.gz SNAAVJXQJGVTFF-GFCCVEGCSA-N 1 0 246.354 3.838 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cc2cnccc2o1 ZINC000651814999 487834940 /nfs/dbraw/zinc/83/49/40/487834940.db2.gz SNAAVJXQJGVTFF-LBPRGKRZSA-N 1 0 246.354 3.838 20 0 BHADRO CC[N@H+](Cc1cc2cnccc2o1)CC(C)(C)C ZINC000651815321 487835141 /nfs/dbraw/zinc/83/51/41/487835141.db2.gz IWXXXYAWNPGYSX-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000651815515 411145187 /nfs/dbraw/zinc/14/51/87/411145187.db2.gz WAGYSKFNCQTBAT-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000651815516 411145162 /nfs/dbraw/zinc/14/51/62/411145162.db2.gz WAGYSKFNCQTBAT-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000651815517 411145041 /nfs/dbraw/zinc/14/50/41/411145041.db2.gz WAGYSKFNCQTBAT-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000651815518 411145083 /nfs/dbraw/zinc/14/50/83/411145083.db2.gz WAGYSKFNCQTBAT-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1cc2cnccc2o1 ZINC000651816720 487834996 /nfs/dbraw/zinc/83/49/96/487834996.db2.gz GBPSGQUKZYFWPZ-UHFFFAOYSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000651817946 411145273 /nfs/dbraw/zinc/14/52/73/411145273.db2.gz FRAOHEPIVSMLQG-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000651817947 411145218 /nfs/dbraw/zinc/14/52/18/411145218.db2.gz FRAOHEPIVSMLQG-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000651817948 411145448 /nfs/dbraw/zinc/14/54/48/411145448.db2.gz FRAOHEPIVSMLQG-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000651817949 411145345 /nfs/dbraw/zinc/14/53/45/411145345.db2.gz FRAOHEPIVSMLQG-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000651818104 411145252 /nfs/dbraw/zinc/14/52/52/411145252.db2.gz KQVRPTZHKIKRDW-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000651818105 411145325 /nfs/dbraw/zinc/14/53/25/411145325.db2.gz KQVRPTZHKIKRDW-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000651818106 411145248 /nfs/dbraw/zinc/14/52/48/411145248.db2.gz KQVRPTZHKIKRDW-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000651818107 411145408 /nfs/dbraw/zinc/14/54/08/411145408.db2.gz KQVRPTZHKIKRDW-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000651818227 411145301 /nfs/dbraw/zinc/14/53/01/411145301.db2.gz NNBVLRBJWSEIKX-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000651818228 411145466 /nfs/dbraw/zinc/14/54/66/411145466.db2.gz NNBVLRBJWSEIKX-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000651818229 411145446 /nfs/dbraw/zinc/14/54/46/411145446.db2.gz NNBVLRBJWSEIKX-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000651818230 411145452 /nfs/dbraw/zinc/14/54/52/411145452.db2.gz NNBVLRBJWSEIKX-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1([NH2+]Cc2cc3cnccc3o2)CCCC1 ZINC000651819556 411145592 /nfs/dbraw/zinc/14/55/92/411145592.db2.gz DUGQHLSAPSMNSH-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000651822112 411146113 /nfs/dbraw/zinc/14/61/13/411146113.db2.gz KYLOYIJYNCEAGO-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000651822113 411146141 /nfs/dbraw/zinc/14/61/41/411146141.db2.gz KYLOYIJYNCEAGO-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000651822114 411146175 /nfs/dbraw/zinc/14/61/75/411146175.db2.gz KYLOYIJYNCEAGO-RWMBFGLXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000651822115 411146063 /nfs/dbraw/zinc/14/60/63/411146063.db2.gz KYLOYIJYNCEAGO-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651822671 411146078 /nfs/dbraw/zinc/14/60/78/411146078.db2.gz GDLRBQRZGDTPJZ-GUTXKFCHSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651822672 411146040 /nfs/dbraw/zinc/14/60/40/411146040.db2.gz GDLRBQRZGDTPJZ-GZBFAFLISA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651822673 411146119 /nfs/dbraw/zinc/14/61/19/411146119.db2.gz GDLRBQRZGDTPJZ-KCQAQPDRSA-N 1 0 249.402 3.522 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651822674 411146098 /nfs/dbraw/zinc/14/60/98/411146098.db2.gz GDLRBQRZGDTPJZ-YDHLFZDLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cnc(C)cc1C ZINC000651825928 566350627 /nfs/dbraw/zinc/35/06/27/566350627.db2.gz YSCBNFMFZHGTGT-CVEARBPZSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cnc(C)cc1C ZINC000651825929 411146370 /nfs/dbraw/zinc/14/63/70/411146370.db2.gz YSCBNFMFZHGTGT-HOTGVXAUSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cnc(C)cc1C ZINC000651825930 411146335 /nfs/dbraw/zinc/14/63/35/411146335.db2.gz YSCBNFMFZHGTGT-HZPDHXFCSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cnc(C)cc1C ZINC000651825931 411146266 /nfs/dbraw/zinc/14/62/66/411146266.db2.gz YSCBNFMFZHGTGT-JKSUJKDBSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000651827750 411146534 /nfs/dbraw/zinc/14/65/34/411146534.db2.gz MMHCDFHSGQKVIR-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000651827751 411146628 /nfs/dbraw/zinc/14/66/28/411146628.db2.gz MMHCDFHSGQKVIR-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000651827752 411146557 /nfs/dbraw/zinc/14/65/57/411146557.db2.gz MMHCDFHSGQKVIR-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000651827753 411146625 /nfs/dbraw/zinc/14/66/25/411146625.db2.gz MMHCDFHSGQKVIR-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651827963 411146635 /nfs/dbraw/zinc/14/66/35/411146635.db2.gz SAVYZUZKLUGJOA-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651827964 411146633 /nfs/dbraw/zinc/14/66/33/411146633.db2.gz SAVYZUZKLUGJOA-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C)c(C)n1 ZINC000651829246 411146728 /nfs/dbraw/zinc/14/67/28/411146728.db2.gz VQMCVWHUTLIJNY-CVEARBPZSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C)c(C)n1 ZINC000651829247 411146906 /nfs/dbraw/zinc/14/69/06/411146906.db2.gz VQMCVWHUTLIJNY-HOTGVXAUSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C)c(C)n1 ZINC000651829248 411146746 /nfs/dbraw/zinc/14/67/46/411146746.db2.gz VQMCVWHUTLIJNY-HZPDHXFCSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C)c(C)n1 ZINC000651829249 411146879 /nfs/dbraw/zinc/14/68/79/411146879.db2.gz VQMCVWHUTLIJNY-JKSUJKDBSA-N 1 0 246.398 3.757 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832380 411146783 /nfs/dbraw/zinc/14/67/83/411146783.db2.gz MBVZTFKTUBHKNX-GBOPCIDUSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832381 411146747 /nfs/dbraw/zinc/14/67/47/411146747.db2.gz MBVZTFKTUBHKNX-QHSBEEBCSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832382 411146750 /nfs/dbraw/zinc/14/67/50/411146750.db2.gz MBVZTFKTUBHKNX-RJZRQDKASA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832383 411146877 /nfs/dbraw/zinc/14/68/77/411146877.db2.gz MBVZTFKTUBHKNX-UXOAXIEHSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832641 411146797 /nfs/dbraw/zinc/14/67/97/411146797.db2.gz YUMSULITYFNEQP-AAVRWANBSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832642 411146830 /nfs/dbraw/zinc/14/68/30/411146830.db2.gz YUMSULITYFNEQP-REWJHTLYSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832643 411146969 /nfs/dbraw/zinc/14/69/69/411146969.db2.gz YUMSULITYFNEQP-RFQIPJPRSA-N 1 0 233.355 3.694 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000651832644 411146997 /nfs/dbraw/zinc/14/69/97/411146997.db2.gz YUMSULITYFNEQP-YIYPIFLZSA-N 1 0 233.355 3.694 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@]2(C)CC)CCO1 ZINC000651832833 411147015 /nfs/dbraw/zinc/14/70/15/411147015.db2.gz FJFBCQOBIBLGMJ-APIJFGDWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]2(C)CC)CCO1 ZINC000651832834 411147094 /nfs/dbraw/zinc/14/70/94/411147094.db2.gz FJFBCQOBIBLGMJ-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@]2(C)CC)CCO1 ZINC000651832835 411146975 /nfs/dbraw/zinc/14/69/75/411146975.db2.gz FJFBCQOBIBLGMJ-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]2(C)CC)CCO1 ZINC000651832836 411147153 /nfs/dbraw/zinc/14/71/53/411147153.db2.gz FJFBCQOBIBLGMJ-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1C)CC(F)F ZINC000651842774 487842193 /nfs/dbraw/zinc/84/21/93/487842193.db2.gz HECZGSXCBKARDX-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1C)CC(F)F ZINC000651842775 487842361 /nfs/dbraw/zinc/84/23/61/487842361.db2.gz HECZGSXCBKARDX-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1C)CC(F)F ZINC000651842776 487842033 /nfs/dbraw/zinc/84/20/33/487842033.db2.gz HECZGSXCBKARDX-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1C)CC(F)F ZINC000651842777 487842030 /nfs/dbraw/zinc/84/20/30/487842030.db2.gz HECZGSXCBKARDX-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CCc1cccc(C[NH2+]C[C@H](C)CC(F)F)c1 ZINC000651842900 411147232 /nfs/dbraw/zinc/14/72/32/411147232.db2.gz MJGGJRQBLILSFM-LLVKDONJSA-N 1 0 241.325 3.630 20 0 BHADRO CCc1cccc(C[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000651842901 411147240 /nfs/dbraw/zinc/14/72/40/411147240.db2.gz MJGGJRQBLILSFM-NSHDSACASA-N 1 0 241.325 3.630 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000651843020 411147242 /nfs/dbraw/zinc/14/72/42/411147242.db2.gz REXAAHXUIMYBSM-DMDPSCGWSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000651843021 411147245 /nfs/dbraw/zinc/14/72/45/411147245.db2.gz REXAAHXUIMYBSM-GMXVVIOVSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C)CC(F)F ZINC000651843022 411147214 /nfs/dbraw/zinc/14/72/14/411147214.db2.gz REXAAHXUIMYBSM-NQBHXWOUSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)CC(F)F ZINC000651843023 411147215 /nfs/dbraw/zinc/14/72/15/411147215.db2.gz REXAAHXUIMYBSM-NTZNESFSSA-N 1 0 233.346 3.836 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1cc2cnccc2o1 ZINC000651844544 487843366 /nfs/dbraw/zinc/84/33/66/487843366.db2.gz NNKWCTKNZCGEDR-UHFFFAOYSA-N 1 0 246.354 3.696 20 0 BHADRO Cc1ccccc1C1([NH2+]Cc2ccco2)CCC1 ZINC000651861810 583147340 /nfs/dbraw/zinc/14/73/40/583147340.db2.gz XQUBSSMXNADMAQ-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2ccsc21)C1CC1 ZINC000651863698 487848654 /nfs/dbraw/zinc/84/86/54/487848654.db2.gz UMQUVYTUYHXBEQ-JTQLQIEISA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2ccsc21)C1CC1 ZINC000651863699 487848244 /nfs/dbraw/zinc/84/82/44/487848244.db2.gz UMQUVYTUYHXBEQ-SNVBAGLBSA-N 1 0 231.364 3.789 20 0 BHADRO CC1CC([NH2+]Cc2cccc3ccsc32)C1 ZINC000651863719 487848638 /nfs/dbraw/zinc/84/86/38/487848638.db2.gz VDGZLPWHEKUZAA-UHFFFAOYSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]([NH2+]CC1(c2ccccc2F)CCC1)C1CC1 ZINC000651864396 487848071 /nfs/dbraw/zinc/84/80/71/487848071.db2.gz RUWVETOTGQBVLU-GFCCVEGCSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@H]([NH2+]CC1(c2ccccc2F)CCC1)C1CC1 ZINC000651864397 487848538 /nfs/dbraw/zinc/84/85/38/487848538.db2.gz RUWVETOTGQBVLU-LBPRGKRZSA-N 1 0 247.357 3.636 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC12CCCC2 ZINC000651872922 411148504 /nfs/dbraw/zinc/14/85/04/411148504.db2.gz JCUOLCGKDIBXSL-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO Cc1cc(C[N@@H+]2CCC23CCCC3)cc(C)c1O ZINC000651872988 411148224 /nfs/dbraw/zinc/14/82/24/411148224.db2.gz LYDNIZSNFDOUNG-UHFFFAOYSA-N 1 0 245.366 3.528 20 0 BHADRO COc1cc(C)ccc1C[N@@H+]1CCC12CCCC2 ZINC000651873072 411148382 /nfs/dbraw/zinc/14/83/82/411148382.db2.gz PUSKTHDHCODPSG-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO COc1cc(C[N@@H+]2CCC23CCCC3)ccc1C ZINC000651873131 411148216 /nfs/dbraw/zinc/14/82/16/411148216.db2.gz SVEPWMUWTRQOTG-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO Cc1cc(C[N@@H+]2CCC23CCCC3)cs1 ZINC000651873235 411148418 /nfs/dbraw/zinc/14/84/18/411148418.db2.gz YOUWZOMVEMVDOJ-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO Clc1cscc1C[N@@H+]1CCC12CCCC2 ZINC000651873437 411148438 /nfs/dbraw/zinc/14/84/38/411148438.db2.gz HJEQSYXPWGILAK-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO Clc1sccc1C[N@@H+]1CCC12CCCC2 ZINC000651873527 411148394 /nfs/dbraw/zinc/14/83/94/411148394.db2.gz KVTWIIWUTPBFPA-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO c1cc2cccc(C[N@@H+]3CCC34CCCC4)c2[nH]1 ZINC000651873534 411148523 /nfs/dbraw/zinc/14/85/23/411148523.db2.gz LEONSGLTPXIINU-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2CCC23CCCC3)[nH]1 ZINC000651873567 411148245 /nfs/dbraw/zinc/14/82/45/411148245.db2.gz MTUGPVHLFRRLRU-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CCC12CCCC2 ZINC000651873580 411148303 /nfs/dbraw/zinc/14/83/03/411148303.db2.gz MWAXNUORSHJFSX-UHFFFAOYSA-N 1 0 240.350 3.686 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC23CCCC3)cc1 ZINC000651873627 411148533 /nfs/dbraw/zinc/14/85/33/411148533.db2.gz OTMYQCXYQUAEIZ-CVEARBPZSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[N@@H+]2CCC23CCCC3)cc1 ZINC000651873628 411148281 /nfs/dbraw/zinc/14/82/81/411148281.db2.gz OTMYQCXYQUAEIZ-HZPDHXFCSA-N 1 0 241.378 3.809 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[N@@H+]2CCC23CCCC3)cc1 ZINC000651873629 411148441 /nfs/dbraw/zinc/14/84/41/411148441.db2.gz OTMYQCXYQUAEIZ-JKSUJKDBSA-N 1 0 241.378 3.809 20 0 BHADRO c1nc(C2CC2)sc1C[N@@H+]1CCC12CCCC2 ZINC000651873652 411148574 /nfs/dbraw/zinc/14/85/74/411148574.db2.gz QCMOOMQBHNTEGC-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC12CCCC2 ZINC000651873663 411148294 /nfs/dbraw/zinc/14/82/94/411148294.db2.gz QKSCTSUQWZMYSW-GFCCVEGCSA-N 1 0 235.396 3.698 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC12CCCC2 ZINC000651873664 411148485 /nfs/dbraw/zinc/14/84/85/411148485.db2.gz QKSCTSUQWZMYSW-LBPRGKRZSA-N 1 0 235.396 3.698 20 0 BHADRO c1nc(C2CC2)c(C[N@@H+]2CCC23CCCC3)s1 ZINC000651873828 411148494 /nfs/dbraw/zinc/14/84/94/411148494.db2.gz XQQFRHGVPBEIJT-UHFFFAOYSA-N 1 0 248.395 3.539 20 0 BHADRO CCOc1cccc(C[N@@H+]2CCC23CCCC3)c1 ZINC000651873898 411147927 /nfs/dbraw/zinc/14/79/27/411147927.db2.gz BMVUOJNRMNASQU-UHFFFAOYSA-N 1 0 245.366 3.604 20 0 BHADRO COc1ccc(C[N@@H+]2CCC23CCCC3)cc1C ZINC000651874013 411148012 /nfs/dbraw/zinc/14/80/12/411148012.db2.gz GZXAVYFSHAJATN-UHFFFAOYSA-N 1 0 245.366 3.522 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC23CCCC3)s1 ZINC000651874126 411148073 /nfs/dbraw/zinc/14/80/73/411148073.db2.gz LQLWFMCZOXCWRF-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC12CCCC2 ZINC000651874327 411148378 /nfs/dbraw/zinc/14/83/78/411148378.db2.gz VCFNVSLRAAMBHJ-UHFFFAOYSA-N 1 0 221.369 3.575 20 0 BHADRO CC[C@@H](OCC[NH2+]C1CC(C)C1)c1ccccc1 ZINC000651908952 411149877 /nfs/dbraw/zinc/14/98/77/411149877.db2.gz TUAHWCWJNBUICD-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+]C1CC(C)C1)c1ccccc1 ZINC000651908953 411149858 /nfs/dbraw/zinc/14/98/58/411149858.db2.gz TUAHWCWJNBUICD-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000651909101 566352176 /nfs/dbraw/zinc/35/21/76/566352176.db2.gz XAFPGDCMWAWNHY-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@@H](OCC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000651909102 566351683 /nfs/dbraw/zinc/35/16/83/566351683.db2.gz XAFPGDCMWAWNHY-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1C ZINC000651910920 487858465 /nfs/dbraw/zinc/85/84/65/487858465.db2.gz RXGUXBQGFCAXJU-AEGPPILISA-N 1 0 217.356 3.629 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1C ZINC000651910921 487858450 /nfs/dbraw/zinc/85/84/50/487858450.db2.gz RXGUXBQGFCAXJU-VHDGCEQUSA-N 1 0 217.356 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)CC1CC1 ZINC000651911158 487858354 /nfs/dbraw/zinc/85/83/54/487858354.db2.gz FDPIOZDUSWMDOR-UHOFOFEASA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)CC1CC1 ZINC000651911159 487858336 /nfs/dbraw/zinc/85/83/36/487858336.db2.gz FDPIOZDUSWMDOR-VBNZEHGJSA-N 1 0 229.367 3.629 20 0 BHADRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000651911183 487858349 /nfs/dbraw/zinc/85/83/49/487858349.db2.gz HBHGTOHNPNSWHY-CMPLNLGQSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000651911314 487858990 /nfs/dbraw/zinc/85/89/90/487858990.db2.gz QFUPOGPHQPLSMS-BMQFZULRSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000651911315 487859002 /nfs/dbraw/zinc/85/90/02/487859002.db2.gz QFUPOGPHQPLSMS-PYIOCPRISA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000651911349 487859009 /nfs/dbraw/zinc/85/90/09/487859009.db2.gz SORKWOMZCPEORQ-JKSUJKDBSA-N 1 0 241.378 3.773 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 ZINC000651911487 490153324 /nfs/dbraw/zinc/15/33/24/490153324.db2.gz BBNGPIVWJXTMFZ-MBNYWOFBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 ZINC000651911488 490153721 /nfs/dbraw/zinc/15/37/21/490153721.db2.gz BBNGPIVWJXTMFZ-SGMGOOAPSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1ccccc1F ZINC000651934219 490161623 /nfs/dbraw/zinc/16/16/23/490161623.db2.gz YPWRPIATMBGQCX-HNNXBMFYSA-N 1 0 247.313 3.968 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000651935158 487870927 /nfs/dbraw/zinc/87/09/27/487870927.db2.gz HXUARUVHCPNLSL-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000651935159 487870903 /nfs/dbraw/zinc/87/09/03/487870903.db2.gz HXUARUVHCPNLSL-YJNKXOJESA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[NH+]1CCC2(CC2(F)F)CC1)C(C)(C)C ZINC000651953025 409573899 /nfs/dbraw/zinc/57/38/99/409573899.db2.gz NGUICLQJQNIWCO-LLVKDONJSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H](C[NH+]1CCC2(CC2(F)F)CC1)C(C)(C)C ZINC000651953026 409573396 /nfs/dbraw/zinc/57/33/96/409573396.db2.gz NGUICLQJQNIWCO-NSHDSACASA-N 1 0 245.357 3.790 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000651953740 487517070 /nfs/dbraw/zinc/51/70/70/487517070.db2.gz USEBZHQEKQRCJK-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000651953741 487517759 /nfs/dbraw/zinc/51/77/59/487517759.db2.gz USEBZHQEKQRCJK-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CCC(CC)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000651953831 487518840 /nfs/dbraw/zinc/51/88/40/487518840.db2.gz YKCCLBZMPPMPQW-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C1(C2CCC2)CC1 ZINC000651958467 409687096 /nfs/dbraw/zinc/68/70/96/409687096.db2.gz ATSNQKQQVVPUBN-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H](C[NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1 ZINC000651958677 409694040 /nfs/dbraw/zinc/69/40/40/409694040.db2.gz NFSMKFANMSQXLO-GFCCVEGCSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1 ZINC000651958678 409693963 /nfs/dbraw/zinc/69/39/63/409693963.db2.gz NFSMKFANMSQXLO-LBPRGKRZSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C2CCC2)CC1 ZINC000651958708 491099018 /nfs/dbraw/zinc/09/90/18/491099018.db2.gz OMBZOIZNELQTBM-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C2CCC2)CC1 ZINC000651958709 491098994 /nfs/dbraw/zinc/09/89/94/491098994.db2.gz OMBZOIZNELQTBM-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO Cc1cccc(C[NH2+]C2(C3CCC3)CC2)c1F ZINC000651958713 491099014 /nfs/dbraw/zinc/09/90/14/491099014.db2.gz ORIPWYOKDCXFRC-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO c1cc2cc(C[NH2+]C3(C4CCC4)CC3)ccc2o1 ZINC000651958731 487596617 /nfs/dbraw/zinc/59/66/17/487596617.db2.gz PNCKMIUCSQRSNK-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO Clc1sccc1C[NH2+]C1(C2CCC2)CC1 ZINC000651958735 487596875 /nfs/dbraw/zinc/59/68/75/487596875.db2.gz PTKZUTMXOZDOMQ-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959316 409738407 /nfs/dbraw/zinc/73/84/07/409738407.db2.gz IDIAJPPLBBWUGG-GDBMZVCRSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959317 409738526 /nfs/dbraw/zinc/73/85/26/409738526.db2.gz IDIAJPPLBBWUGG-GOEBONIOSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959318 409736965 /nfs/dbraw/zinc/73/69/65/409736965.db2.gz IDIAJPPLBBWUGG-ZBFHGGJFSA-N 1 0 241.378 3.712 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(C3CCC3)CC2)o1 ZINC000651959348 409741458 /nfs/dbraw/zinc/74/14/58/409741458.db2.gz IZFCJSUMVXWWKW-BXUZGUMPSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(C3CCC3)CC2)o1 ZINC000651959349 409741646 /nfs/dbraw/zinc/74/16/46/409741646.db2.gz IZFCJSUMVXWWKW-FZMZJTMJSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(C3CCC3)CC2)o1 ZINC000651959350 409740896 /nfs/dbraw/zinc/74/08/96/409740896.db2.gz IZFCJSUMVXWWKW-RISCZKNCSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(C3CCC3)CC2)o1 ZINC000651959351 409741672 /nfs/dbraw/zinc/74/16/72/409741672.db2.gz IZFCJSUMVXWWKW-SMDDNHRTSA-N 1 0 245.366 3.825 20 0 BHADRO CCc1ccc(C[NH2+]C2(C3CCC3)CC2)s1 ZINC000651959371 487621130 /nfs/dbraw/zinc/62/11/30/487621130.db2.gz JUJNKYNDYNRIEY-UHFFFAOYSA-N 1 0 235.396 3.733 20 0 BHADRO Clc1cscc1C[NH2+]C1(C2CCC2)CC1 ZINC000651959375 487621114 /nfs/dbraw/zinc/62/11/14/487621114.db2.gz JZEQRTNLKUVXCE-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1F ZINC000651959402 409746598 /nfs/dbraw/zinc/74/65/98/409746598.db2.gz KXMOCCJFKMEUKD-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO c1cc2cccc(C[NH2+]C3(C4CCC4)CC3)c2[nH]1 ZINC000651959474 409749419 /nfs/dbraw/zinc/74/94/19/409749419.db2.gz NYHCLIPKGKKVGY-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCOc1cccc(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000651959528 409749911 /nfs/dbraw/zinc/74/99/11/409749911.db2.gz QIFLNXSRLHHUKB-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C1(C2CCC2)CC1 ZINC000651959556 409751720 /nfs/dbraw/zinc/75/17/20/409751720.db2.gz RPMPDPUXGUMLTI-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1F ZINC000651959566 409751608 /nfs/dbraw/zinc/75/16/08/409751608.db2.gz SARMOMKBPFORSG-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959573 409751651 /nfs/dbraw/zinc/75/16/51/409751651.db2.gz SDBGOWJTIYVHLB-IHWYPQMZSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959574 409752610 /nfs/dbraw/zinc/75/26/10/409752610.db2.gz SDBGOWJTIYVHLB-NSCUHMNNSA-N 1 0 245.341 3.761 20 0 BHADRO c1cc2c(cccc2C[NH2+]C2(C3CCC3)CC2)[nH]1 ZINC000651959687 409758195 /nfs/dbraw/zinc/75/81/95/409758195.db2.gz YOGIGWYVDADVSD-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)COCC1CC1 ZINC000651982628 410128682 /nfs/dbraw/zinc/12/86/82/410128682.db2.gz CVFVNMJMCVELIO-KBPBESRZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)COCC1CC1 ZINC000651982629 410127468 /nfs/dbraw/zinc/12/74/68/410127468.db2.gz CVFVNMJMCVELIO-KGLIPLIRSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)COCC1CC1 ZINC000651982630 410128207 /nfs/dbraw/zinc/12/82/07/410128207.db2.gz CVFVNMJMCVELIO-UONOGXRCSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)COCC1CC1 ZINC000651982631 410127458 /nfs/dbraw/zinc/12/74/58/410127458.db2.gz CVFVNMJMCVELIO-ZIAGYGMSSA-N 1 0 239.403 3.526 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1(C2CCC2)CC1 ZINC000651984156 410133589 /nfs/dbraw/zinc/13/35/89/410133589.db2.gz VJISCVCPNQAPLG-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1(C2CCC2)CC1 ZINC000651984157 410133936 /nfs/dbraw/zinc/13/39/36/410133936.db2.gz VJISCVCPNQAPLG-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO CCc1cccc(C[NH2+]Cc2ccsc2C)c1 ZINC000652032951 411083685 /nfs/dbraw/zinc/08/36/85/411083685.db2.gz PCLCFRIEOQUPAJ-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cccc(CC)c2)o1 ZINC000652032963 411083971 /nfs/dbraw/zinc/08/39/71/411083971.db2.gz QENWKPYWKBWRJS-UHFFFAOYSA-N 1 0 243.350 3.694 20 0 BHADRO CCc1cccc(C[NH2+]Cc2csc(C)c2)c1 ZINC000652032978 411084247 /nfs/dbraw/zinc/08/42/47/411084247.db2.gz QTZAPXWJXXMYRA-UHFFFAOYSA-N 1 0 245.391 3.909 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000652038762 411090917 /nfs/dbraw/zinc/09/09/17/411090917.db2.gz HXDIGYCSBPAXCG-LLVKDONJSA-N 1 0 230.355 3.692 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000652041525 411091004 /nfs/dbraw/zinc/09/10/04/411091004.db2.gz FZLUCLLRAKKIPM-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO c1cc2c(cccc2C[NH2+]C2CC3(CCC3)C2)[nH]1 ZINC000652041854 411092481 /nfs/dbraw/zinc/09/24/81/411092481.db2.gz USZHBLUFXYKAOD-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO Cc1cc(F)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000652041905 411092469 /nfs/dbraw/zinc/09/24/69/411092469.db2.gz WMGGSUFSWNTGRT-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000652042041 411091841 /nfs/dbraw/zinc/09/18/41/411091841.db2.gz ADCDOBBYDKZKDN-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(C[NH2+]C2CC3(CCC3)C2)c1F ZINC000652042083 411092591 /nfs/dbraw/zinc/09/25/91/411092591.db2.gz DUADPFGETQOXSI-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Clc1cscc1C[NH2+]C1CC2(CCC2)C1 ZINC000652042181 411092781 /nfs/dbraw/zinc/09/27/81/411092781.db2.gz MHKBJFCIQHQZCI-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1ccsc1C[NH2+]C1CC2(CCC2)C1 ZINC000652042224 411092292 /nfs/dbraw/zinc/09/22/92/411092292.db2.gz PNCLGSDFCGKFEV-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Clc1sccc1C[NH2+]C1CC2(CCC2)C1 ZINC000652042245 411091792 /nfs/dbraw/zinc/09/17/92/411091792.db2.gz SDHKMKZJZJEPCF-UHFFFAOYSA-N 1 0 241.787 3.824 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000652042255 411092574 /nfs/dbraw/zinc/09/25/74/411092574.db2.gz TVALLHDUQKMDBJ-HNQUOIGGSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000652042256 411092342 /nfs/dbraw/zinc/09/23/42/411092342.db2.gz TVALLHDUQKMDBJ-IWQZZHSRSA-N 1 0 245.341 3.761 20 0 BHADRO c1cc2cc(C[NH2+]C3CC4(CCC4)C3)ccc2o1 ZINC000652042323 411092149 /nfs/dbraw/zinc/09/21/49/411092149.db2.gz YXJBPIDTJLNVEP-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO C1CC2(C1)CC([NH2+][C@@H]1CCCC13CCC3)C2 ZINC000652050846 411097587 /nfs/dbraw/zinc/09/75/87/411097587.db2.gz NTFYKXNYSGJNPY-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC2(C1)CC([NH2+][C@H]1CCCC13CCC3)C2 ZINC000652050847 411097463 /nfs/dbraw/zinc/09/74/63/411097463.db2.gz NTFYKXNYSGJNPY-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C1CC2(CCC2)C1 ZINC000652051373 411097668 /nfs/dbraw/zinc/09/76/68/411097668.db2.gz BXKULZLJNGUBCE-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C1CC2(CCC2)C1 ZINC000652051374 411097570 /nfs/dbraw/zinc/09/75/70/411097570.db2.gz BXKULZLJNGUBCE-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C1CC2(CCC2)C1 ZINC000652051737 411097430 /nfs/dbraw/zinc/09/74/30/411097430.db2.gz OPRANYPOFFCDRP-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C1CC2(CCC2)C1 ZINC000652051738 411097497 /nfs/dbraw/zinc/09/74/97/411097497.db2.gz OPRANYPOFFCDRP-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000652051860 411097563 /nfs/dbraw/zinc/09/75/63/411097563.db2.gz UEEVMRRPSWUTQE-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C1CC2(CCC2)C1 ZINC000652051861 411097674 /nfs/dbraw/zinc/09/76/74/411097674.db2.gz UEEVMRRPSWUTQE-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652063873 411103244 /nfs/dbraw/zinc/10/32/44/411103244.db2.gz XCVNXPMDUINBOJ-AGIUHOORSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652063874 411103117 /nfs/dbraw/zinc/10/31/17/411103117.db2.gz XCVNXPMDUINBOJ-FRRDWIJNSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652063875 411104392 /nfs/dbraw/zinc/10/43/92/411104392.db2.gz XCVNXPMDUINBOJ-JHJVBQTASA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652063876 411103745 /nfs/dbraw/zinc/10/37/45/411103745.db2.gz XCVNXPMDUINBOJ-UPJWGTAASA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)C(C)C ZINC000652064237 411103873 /nfs/dbraw/zinc/10/38/73/411103873.db2.gz JCALLEQRVXHKPT-CYBMUJFWSA-N 1 0 245.357 3.646 20 0 BHADRO CC(C)C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)C(C)C ZINC000652064238 411103192 /nfs/dbraw/zinc/10/31/92/411103192.db2.gz JCALLEQRVXHKPT-ZDUSSCGKSA-N 1 0 245.357 3.646 20 0 BHADRO CC(C)C[C@H]([NH2+]CCCF)c1ccc(F)cc1 ZINC000652169526 411164934 /nfs/dbraw/zinc/16/49/34/411164934.db2.gz DMPQFXYMEHXNTB-AWEZNQCLSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCCF)c1ccc(F)cc1 ZINC000652169527 411164306 /nfs/dbraw/zinc/16/43/06/411164306.db2.gz DMPQFXYMEHXNTB-CQSZACIVSA-N 1 0 241.325 3.862 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000652208562 411170141 /nfs/dbraw/zinc/17/01/41/411170141.db2.gz IJNWGSZCLQFSCL-CVSAEHQPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000652208563 411170114 /nfs/dbraw/zinc/17/01/14/411170114.db2.gz IJNWGSZCLQFSCL-NEXFUWMNSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000652208564 411169933 /nfs/dbraw/zinc/16/99/33/411169933.db2.gz IJNWGSZCLQFSCL-PFSRBDOWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000652208565 411170101 /nfs/dbraw/zinc/17/01/01/411170101.db2.gz IJNWGSZCLQFSCL-WUCCLRPBSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000652239666 411178638 /nfs/dbraw/zinc/17/86/38/411178638.db2.gz ZYXCSOKXUFNAIP-AEGPPILISA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000652239667 411178371 /nfs/dbraw/zinc/17/83/71/411178371.db2.gz ZYXCSOKXUFNAIP-VHDGCEQUSA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccoc1 ZINC000652239946 411178854 /nfs/dbraw/zinc/17/88/54/411178854.db2.gz JXRZIFZNBZHUCH-UHOFOFEASA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000652239947 411178192 /nfs/dbraw/zinc/17/81/92/411178192.db2.gz JXRZIFZNBZHUCH-VBNZEHGJSA-N 1 0 241.334 3.795 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000652239950 411178461 /nfs/dbraw/zinc/17/84/61/411178461.db2.gz KAWHWIASHGMCFR-JKSUJKDBSA-N 1 0 241.378 3.629 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1C)C1CC1 ZINC000652240016 411178803 /nfs/dbraw/zinc/17/88/03/411178803.db2.gz NGTTYRGENRLAGU-ARFHVFGLSA-N 1 0 229.367 3.629 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1C)C1CC1 ZINC000652240017 411178339 /nfs/dbraw/zinc/17/83/39/411178339.db2.gz NGTTYRGENRLAGU-HRCADAONSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000652240494 411178203 /nfs/dbraw/zinc/17/82/03/411178203.db2.gz DFDKKZUXVVIYCG-KCQAQPDRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000652240495 411178742 /nfs/dbraw/zinc/17/87/42/411178742.db2.gz DFDKKZUXVVIYCG-VNHYZAJKSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 ZINC000652240570 411178634 /nfs/dbraw/zinc/17/86/34/411178634.db2.gz HCYKZHXBAJKUQK-RRFJBIMHSA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 ZINC000652240571 411178521 /nfs/dbraw/zinc/17/85/21/411178521.db2.gz HCYKZHXBAJKUQK-SOUVJXGZSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cscn1 ZINC000652240801 411178125 /nfs/dbraw/zinc/17/81/25/411178125.db2.gz MGUZSCIIVFEHEU-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cscn1 ZINC000652240802 411178568 /nfs/dbraw/zinc/17/85/68/411178568.db2.gz MGUZSCIIVFEHEU-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000652240934 411178588 /nfs/dbraw/zinc/17/85/88/411178588.db2.gz QWJNZVHTXQENOS-ARFHVFGLSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000652240935 411178719 /nfs/dbraw/zinc/17/87/19/411178719.db2.gz QWJNZVHTXQENOS-XHSDSOJGSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241122 411179138 /nfs/dbraw/zinc/17/91/38/411179138.db2.gz WKNZPLYEUWDOLE-KCQAQPDRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241123 411179141 /nfs/dbraw/zinc/17/91/41/411179141.db2.gz WKNZPLYEUWDOLE-VNHYZAJKSA-N 1 0 246.398 3.865 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1nccs1 ZINC000652241565 487888399 /nfs/dbraw/zinc/88/83/99/487888399.db2.gz OXAQBCKLXWPCHK-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1nccs1 ZINC000652241566 487888278 /nfs/dbraw/zinc/88/82/78/487888278.db2.gz OXAQBCKLXWPCHK-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccoc1 ZINC000652241578 487887888 /nfs/dbraw/zinc/88/78/88/487887888.db2.gz PRNFXSUOMQQBAM-KGYLQXTDSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccoc1 ZINC000652241579 487887771 /nfs/dbraw/zinc/88/77/71/487887771.db2.gz PRNFXSUOMQQBAM-WCFLWFBJSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccco1 ZINC000652241679 487887927 /nfs/dbraw/zinc/88/79/27/487887927.db2.gz VHFBBTJAKHYCPS-GRYCIOLGSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1ccco1 ZINC000652241680 487888304 /nfs/dbraw/zinc/88/83/04/487888304.db2.gz VHFBBTJAKHYCPS-SDDRHHMPSA-N 1 0 221.344 3.755 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cncs1 ZINC000652241703 487888406 /nfs/dbraw/zinc/88/84/06/487888406.db2.gz XCEGIOHOABQMBI-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)c1cncs1 ZINC000652241704 487888191 /nfs/dbraw/zinc/88/81/91/487888191.db2.gz XCEGIOHOABQMBI-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccs1 ZINC000652271110 411184828 /nfs/dbraw/zinc/18/48/28/411184828.db2.gz AJKMFHKQEANULH-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccs1 ZINC000652271111 411184072 /nfs/dbraw/zinc/18/40/72/411184072.db2.gz AJKMFHKQEANULH-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652271152 411184132 /nfs/dbraw/zinc/18/41/32/411184132.db2.gz CCZJVGFZWCQNOL-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652271153 411184686 /nfs/dbraw/zinc/18/46/86/411184686.db2.gz CCZJVGFZWCQNOL-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C2CCC2)CC1 ZINC000652271192 411184685 /nfs/dbraw/zinc/18/46/85/411184685.db2.gz DSIMWSOTYDEKLB-HNNXBMFYSA-N 1 0 245.341 3.735 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1(C2CCC2)CC1 ZINC000652271193 411184249 /nfs/dbraw/zinc/18/42/49/411184249.db2.gz DSIMWSOTYDEKLB-OAHLLOKOSA-N 1 0 245.341 3.735 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1(C2CCC2)CC1 ZINC000652271304 411184263 /nfs/dbraw/zinc/18/42/63/411184263.db2.gz IFOSJPYDQOALRE-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1(C2CCC2)CC1 ZINC000652271305 411184210 /nfs/dbraw/zinc/18/42/10/411184210.db2.gz IFOSJPYDQOALRE-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1(C2CCC2)CC1 ZINC000652271556 411184532 /nfs/dbraw/zinc/18/45/32/411184532.db2.gz PPUFFIXAPDRQON-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1(C2CCC2)CC1 ZINC000652271557 411184713 /nfs/dbraw/zinc/18/47/13/411184713.db2.gz PPUFFIXAPDRQON-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccsc1 ZINC000652271563 411183797 /nfs/dbraw/zinc/18/37/97/411183797.db2.gz PYBFEMWWWKFOLZ-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccsc1 ZINC000652271564 411183870 /nfs/dbraw/zinc/18/38/70/411183870.db2.gz PYBFEMWWWKFOLZ-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)cc1 ZINC000652271578 411184004 /nfs/dbraw/zinc/18/40/04/411184004.db2.gz QEDYFNZPCXRIMV-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO COc1ccc([C@H](C)[NH2+]C2(C3CCC3)CC2)cc1 ZINC000652271579 411183891 /nfs/dbraw/zinc/18/38/91/411183891.db2.gz QEDYFNZPCXRIMV-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)o1 ZINC000652271597 411184429 /nfs/dbraw/zinc/18/44/29/411184429.db2.gz QVSBZGFXGPHSKF-LLVKDONJSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CCC3)CC2)o1 ZINC000652271598 411184403 /nfs/dbraw/zinc/18/44/03/411184403.db2.gz QVSBZGFXGPHSKF-NSHDSACASA-N 1 0 219.328 3.571 20 0 BHADRO C1CC1([NH2+]C1CCCCCC1)C1CCC1 ZINC000652271652 411184089 /nfs/dbraw/zinc/18/40/89/411184089.db2.gz SJVGFOOHCZMKHI-UHFFFAOYSA-N 1 0 207.361 3.632 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)c(C)n1 ZINC000652272217 411184215 /nfs/dbraw/zinc/18/42/15/411184215.db2.gz DOCAJXFUWWUAOL-CYBMUJFWSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CCC3)CC2)c(C)n1 ZINC000652272218 411184863 /nfs/dbraw/zinc/18/48/63/411184863.db2.gz DOCAJXFUWWUAOL-ZDUSSCGKSA-N 1 0 244.382 3.682 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+]C1(C2CCC2)CC1 ZINC000652272246 411184741 /nfs/dbraw/zinc/18/47/41/411184741.db2.gz FNZGETKQMWSWKT-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+]C1(C2CCC2)CC1 ZINC000652272247 411184792 /nfs/dbraw/zinc/18/47/92/411184792.db2.gz FNZGETKQMWSWKT-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]C1(C2CCC2)CC1 ZINC000652272303 411184736 /nfs/dbraw/zinc/18/47/36/411184736.db2.gz HGMKIGHXHWOJBQ-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]C1(C2CCC2)CC1 ZINC000652272304 411184692 /nfs/dbraw/zinc/18/46/92/411184692.db2.gz HGMKIGHXHWOJBQ-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO C1CC12CCC([NH2+]C1(C3CCC3)CC1)CC2 ZINC000652272362 411184095 /nfs/dbraw/zinc/18/40/95/411184095.db2.gz IYYRTWRDYOKENQ-UHFFFAOYSA-N 1 0 219.372 3.632 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272414 411184182 /nfs/dbraw/zinc/18/41/82/411184182.db2.gz KZLVWRUMYMTCAV-GFCCVEGCSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272415 411184789 /nfs/dbraw/zinc/18/47/89/411184789.db2.gz KZLVWRUMYMTCAV-LBPRGKRZSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C1(C2CCC2)CC1 ZINC000652272495 411185547 /nfs/dbraw/zinc/18/55/47/411185547.db2.gz NVRMWAYAYCSJIA-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C1(C2CCC2)CC1 ZINC000652272496 411185162 /nfs/dbraw/zinc/18/51/62/411185162.db2.gz NVRMWAYAYCSJIA-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]C1(C2CCC2)CC1 ZINC000652272635 411185074 /nfs/dbraw/zinc/18/50/74/411185074.db2.gz RRNJJVIXRRBTOO-CYBMUJFWSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]C1(C2CCC2)CC1 ZINC000652272636 411185211 /nfs/dbraw/zinc/18/52/11/411185211.db2.gz RRNJJVIXRRBTOO-ZDUSSCGKSA-N 1 0 249.423 3.992 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C3CCC3)CC2)c(C)o1 ZINC000652272655 411185787 /nfs/dbraw/zinc/18/57/87/411185787.db2.gz SEYVPJSWBOQSTP-LLVKDONJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C3CCC3)CC2)c(C)o1 ZINC000652272656 411185817 /nfs/dbraw/zinc/18/58/17/411185817.db2.gz SEYVPJSWBOQSTP-NSHDSACASA-N 1 0 233.355 3.880 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1(C2CCC2)CC1 ZINC000652272678 411185608 /nfs/dbraw/zinc/18/56/08/411185608.db2.gz SYNLHSUTDNUJDE-CYBMUJFWSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1(C2CCC2)CC1 ZINC000652272679 411185763 /nfs/dbraw/zinc/18/57/63/411185763.db2.gz SYNLHSUTDNUJDE-ZDUSSCGKSA-N 1 0 231.339 3.579 20 0 BHADRO FC(F)C1CCC([NH2+]C2(C3CCC3)CC2)CC1 ZINC000652272725 411185262 /nfs/dbraw/zinc/18/52/62/411185262.db2.gz UUQZQHFHUVNEPL-UHFFFAOYSA-N 1 0 243.341 3.733 20 0 BHADRO C1CC1([NH2+][C@@H]1CCC12CCCC2)C1CCC1 ZINC000652272772 411185219 /nfs/dbraw/zinc/18/52/19/411185219.db2.gz WAVRSFXNCNDUGQ-CYBMUJFWSA-N 1 0 219.372 3.632 20 0 BHADRO C1CC1([NH2+][C@H]1CCC12CCCC2)C1CCC1 ZINC000652272773 411185761 /nfs/dbraw/zinc/18/57/61/411185761.db2.gz WAVRSFXNCNDUGQ-ZDUSSCGKSA-N 1 0 219.372 3.632 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)o1 ZINC000652272894 411185284 /nfs/dbraw/zinc/18/52/84/411185284.db2.gz ZHMNDDWSJCHICH-LLVKDONJSA-N 1 0 233.355 3.825 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2(C3CCC3)CC2)o1 ZINC000652272895 411185125 /nfs/dbraw/zinc/18/51/25/411185125.db2.gz ZHMNDDWSJCHICH-NSHDSACASA-N 1 0 233.355 3.825 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C3CCC3)CC2)oc1C ZINC000652273070 411185845 /nfs/dbraw/zinc/18/58/45/411185845.db2.gz APWRFRCXKVMKOU-LLVKDONJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C3CCC3)CC2)oc1C ZINC000652273071 411185821 /nfs/dbraw/zinc/18/58/21/411185821.db2.gz APWRFRCXKVMKOU-NSHDSACASA-N 1 0 233.355 3.880 20 0 BHADRO CCc1cccc(C[NH2+][C@H](C)c2cncs2)c1 ZINC000652307132 487907700 /nfs/dbraw/zinc/90/77/00/487907700.db2.gz PPJIRSMPPDMBII-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cccc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000652307133 487907225 /nfs/dbraw/zinc/90/72/25/487907225.db2.gz PPJIRSMPPDMBII-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(C)(C)C ZINC000652317654 487916603 /nfs/dbraw/zinc/91/66/03/487916603.db2.gz YGYVJHVDAOBFLI-UONOGXRCSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(C)(C)C ZINC000652317655 487917393 /nfs/dbraw/zinc/91/73/93/487917393.db2.gz YGYVJHVDAOBFLI-ZIAGYGMSSA-N 1 0 248.414 3.817 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c(C)n1 ZINC000652317780 411200056 /nfs/dbraw/zinc/20/00/56/411200056.db2.gz BPPCLOFXHVVVCL-CHWSQXEVSA-N 1 0 234.387 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)C)c(C)n1 ZINC000652317781 411200063 /nfs/dbraw/zinc/20/00/63/411200063.db2.gz BPPCLOFXHVVVCL-QWHCGFSZSA-N 1 0 234.387 3.784 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652327700 411202437 /nfs/dbraw/zinc/20/24/37/411202437.db2.gz HEXSFOQBZAHGHE-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652327701 411202380 /nfs/dbraw/zinc/20/23/80/411202380.db2.gz HEXSFOQBZAHGHE-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CC3(CCC3)C2)oc1C ZINC000652327733 411201990 /nfs/dbraw/zinc/20/19/90/411201990.db2.gz IJPHSEGHIBLXCF-LLVKDONJSA-N 1 0 233.355 3.880 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CC3(CCC3)C2)oc1C ZINC000652327734 411202526 /nfs/dbraw/zinc/20/25/26/411202526.db2.gz IJPHSEGHIBLXCF-NSHDSACASA-N 1 0 233.355 3.880 20 0 BHADRO CCC[C@H]([NH2+]C1CC2(CCC2)C1)c1cccnc1 ZINC000652327818 411202715 /nfs/dbraw/zinc/20/27/15/411202715.db2.gz KJXQVKJKRALJPT-HNNXBMFYSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccnc1 ZINC000652327819 411202114 /nfs/dbraw/zinc/20/21/14/411202114.db2.gz KJXQVKJKRALJPT-OAHLLOKOSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)c(C)n1 ZINC000652327838 411202590 /nfs/dbraw/zinc/20/25/90/411202590.db2.gz LAAURKJPBBGKJN-CYBMUJFWSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)c(C)n1 ZINC000652327839 411202223 /nfs/dbraw/zinc/20/22/23/411202223.db2.gz LAAURKJPBBGKJN-ZDUSSCGKSA-N 1 0 244.382 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000652327870 411202435 /nfs/dbraw/zinc/20/24/35/411202435.db2.gz MQOQHKYIZYSWMH-GXTWGEPZSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000652327871 411202109 /nfs/dbraw/zinc/20/21/09/411202109.db2.gz MQOQHKYIZYSWMH-JSGCOSHPSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000652327872 411202411 /nfs/dbraw/zinc/20/24/11/411202411.db2.gz MQOQHKYIZYSWMH-OCCSQVGLSA-N 1 0 239.378 3.827 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000652327873 411201962 /nfs/dbraw/zinc/20/19/62/411201962.db2.gz MQOQHKYIZYSWMH-TZMCWYRMSA-N 1 0 239.378 3.827 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652327901 411202208 /nfs/dbraw/zinc/20/22/08/411202208.db2.gz NQOMCCDCTUGSJY-GFCCVEGCSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652327902 411202369 /nfs/dbraw/zinc/20/23/69/411202369.db2.gz NQOMCCDCTUGSJY-LBPRGKRZSA-N 1 0 244.382 3.627 20 0 BHADRO CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652327979 411202648 /nfs/dbraw/zinc/20/26/48/411202648.db2.gz PZAFBUKYBJPLSO-CYBMUJFWSA-N 1 0 248.345 3.594 20 0 BHADRO CC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652327980 411202385 /nfs/dbraw/zinc/20/23/85/411202385.db2.gz PZAFBUKYBJPLSO-ZDUSSCGKSA-N 1 0 248.345 3.594 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC2(CCC2)C1)c1cccnc1 ZINC000652328116 411201523 /nfs/dbraw/zinc/20/15/23/411201523.db2.gz VRERQXVVEKOEAK-HNNXBMFYSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccnc1 ZINC000652328117 411201225 /nfs/dbraw/zinc/20/12/25/411201225.db2.gz VRERQXVVEKOEAK-OAHLLOKOSA-N 1 0 244.382 3.701 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000652328147 411201504 /nfs/dbraw/zinc/20/15/04/411201504.db2.gz WVSQFCRMULUNGY-LLVKDONJSA-N 1 0 233.355 3.825 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)o1 ZINC000652328148 411201148 /nfs/dbraw/zinc/20/11/48/411201148.db2.gz WVSQFCRMULUNGY-NSHDSACASA-N 1 0 233.355 3.825 20 0 BHADRO C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)CS1 ZINC000653465469 411283340 /nfs/dbraw/zinc/28/33/40/411283340.db2.gz CAALQNWZGAXVPD-HZMBPMFUSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)CS1 ZINC000653465470 411283992 /nfs/dbraw/zinc/28/39/92/411283992.db2.gz CAALQNWZGAXVPD-IINYFYTJSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)CS1 ZINC000653465471 411283609 /nfs/dbraw/zinc/28/36/09/411283609.db2.gz CAALQNWZGAXVPD-QMTHXVAHSA-N 1 0 244.363 3.541 20 0 BHADRO C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)CS1 ZINC000653465472 411283343 /nfs/dbraw/zinc/28/33/43/411283343.db2.gz CAALQNWZGAXVPD-YGRLFVJLSA-N 1 0 244.363 3.541 20 0 BHADRO C[N@H+](CCC(C)(C)C1CC1)Cc1ccco1 ZINC000653480729 487879817 /nfs/dbraw/zinc/87/98/17/487879817.db2.gz OAHWZVUPFCKAOV-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CC[NH+](CC)Cc1cc(C(C)C)ccc1OC ZINC000653486698 642813840 /nfs/dbraw/zinc/81/38/40/642813840.db2.gz LXEWDSLQRMQPAT-UHFFFAOYSA-N 1 0 235.371 3.660 20 0 BHADRO CCCC[N@H+](Cc1c(C)nsc1C)C1CC1 ZINC000653494699 411389372 /nfs/dbraw/zinc/38/93/72/411389372.db2.gz KUNYDQLORJPPIW-UHFFFAOYSA-N 1 0 238.400 3.524 20 0 BHADRO COc1ccc(C(C)C)cc1C[N@H+](C)CC1CC1 ZINC000653498937 411413742 /nfs/dbraw/zinc/41/37/42/411413742.db2.gz SXGFKMKSWLIFRU-UHFFFAOYSA-N 1 0 247.382 3.660 20 0 BHADRO C[N@H+](CCC(C)(C)C1CC1)Cc1ccoc1 ZINC000653504323 411415231 /nfs/dbraw/zinc/41/52/31/411415231.db2.gz PZXBRGUWNFSWQV-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO c1coc(-c2ccccc2C[C@@H]2CCCC[NH2+]2)c1 ZINC000653509579 411415887 /nfs/dbraw/zinc/41/58/87/411415887.db2.gz MYIYXFJXXTUVDL-AWEZNQCLSA-N 1 0 241.334 3.631 20 0 BHADRO c1coc(-c2ccccc2C[C@H]2CCCC[NH2+]2)c1 ZINC000653509580 411416133 /nfs/dbraw/zinc/41/61/33/411416133.db2.gz MYIYXFJXXTUVDL-CQSZACIVSA-N 1 0 241.334 3.631 20 0 BHADRO c1cc(-c2ccccc2C[C@@H]2CCCC[NH2+]2)co1 ZINC000653510018 487952930 /nfs/dbraw/zinc/95/29/30/487952930.db2.gz ICGJUMAKGIYJPK-HNNXBMFYSA-N 1 0 241.334 3.631 20 0 BHADRO c1cc(-c2ccccc2C[C@H]2CCCC[NH2+]2)co1 ZINC000653510019 487952641 /nfs/dbraw/zinc/95/26/41/487952641.db2.gz ICGJUMAKGIYJPK-OAHLLOKOSA-N 1 0 241.334 3.631 20 0 BHADRO CCC[N@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000653524501 411417932 /nfs/dbraw/zinc/41/79/32/411417932.db2.gz PHVNXXXUDALCKO-UHFFFAOYSA-N 1 0 235.371 3.660 20 0 BHADRO Cc1nsc(C)c1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000653554775 411420631 /nfs/dbraw/zinc/42/06/31/411420631.db2.gz VNDOWJYDKVILEJ-NXEZZACHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nsc(C)c1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000653554776 411419719 /nfs/dbraw/zinc/41/97/19/411419719.db2.gz VNDOWJYDKVILEJ-UWVGGRQHSA-N 1 0 238.400 3.523 20 0 BHADRO CC[N@H+](CCC(C)(C)C1CC1)Cc1ccccn1 ZINC000653568555 411423296 /nfs/dbraw/zinc/42/32/96/411423296.db2.gz BKNRDWBCRNDESZ-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO CC(C)(CC[NH+]1CCC(C(F)F)CC1)C1CC1 ZINC000653570957 487967954 /nfs/dbraw/zinc/96/79/54/487967954.db2.gz MSUWNAQTLNDIDY-UHFFFAOYSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)C1CC1 ZINC000653573819 487969551 /nfs/dbraw/zinc/96/95/51/487969551.db2.gz QPCNMKVVVADBNH-HNNXBMFYSA-N 1 0 246.398 3.978 20 0 BHADRO CC(C)(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C1CC1 ZINC000653573820 487969038 /nfs/dbraw/zinc/96/90/38/487969038.db2.gz QPCNMKVVVADBNH-OAHLLOKOSA-N 1 0 246.398 3.978 20 0 BHADRO Cc1cccc(C[N@H+](C)CCC(C)(C)C2CC2)n1 ZINC000653581631 487969351 /nfs/dbraw/zinc/96/93/51/487969351.db2.gz APLBGQRDUKWYCA-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593071 411426899 /nfs/dbraw/zinc/42/68/99/411426899.db2.gz DVUFWZULXBGDOE-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593072 411427577 /nfs/dbraw/zinc/42/75/77/411427577.db2.gz DVUFWZULXBGDOE-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593329 411426931 /nfs/dbraw/zinc/42/69/31/411426931.db2.gz XEUWVVHSVLOWMM-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593330 411426841 /nfs/dbraw/zinc/42/68/41/411426841.db2.gz XEUWVVHSVLOWMM-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593359 411428741 /nfs/dbraw/zinc/42/87/41/411428741.db2.gz ZAWJSCKOKSKWFA-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CCC(C)(C)C1CC1 ZINC000653593360 411428863 /nfs/dbraw/zinc/42/88/63/411428863.db2.gz ZAWJSCKOKSKWFA-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)(CC[NH+]1CC2(C1)CC(F)(F)C2)C1CC1 ZINC000653593808 411429376 /nfs/dbraw/zinc/42/93/76/411429376.db2.gz QUZYHAQLJGUGMU-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO CC[N@H+](CCC(C)(C)C1CC1)Cc1ccncc1 ZINC000653595020 411430750 /nfs/dbraw/zinc/43/07/50/411430750.db2.gz QZANHIWNUZHKTI-UHFFFAOYSA-N 1 0 246.398 3.730 20 0 BHADRO Cc1nsc(C)c1C[NH2+]C(C(C)C)C(C)C ZINC000653608954 411433065 /nfs/dbraw/zinc/43/30/65/411433065.db2.gz PPEGPSPOZBFETJ-UHFFFAOYSA-N 1 0 240.416 3.530 20 0 BHADRO COc1ccc(C(C)C)cc1C[N@H+]1CC=CCC1 ZINC000653610156 411439757 /nfs/dbraw/zinc/43/97/57/411439757.db2.gz ZNSABASXSJAEDZ-UHFFFAOYSA-N 1 0 245.366 3.581 20 0 BHADRO Cc1ccncc1C[N@H+](C)CCC(C)(C)C1CC1 ZINC000653653639 411156117 /nfs/dbraw/zinc/15/61/17/411156117.db2.gz AOPLWVWRLWQYBU-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CCC1(F)F ZINC000653679329 411173509 /nfs/dbraw/zinc/17/35/09/411173509.db2.gz YATPNIAYZDYDOF-LLVKDONJSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CCC1(F)F ZINC000653679330 411173246 /nfs/dbraw/zinc/17/32/46/411173246.db2.gz YATPNIAYZDYDOF-NSHDSACASA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000653681304 411175698 /nfs/dbraw/zinc/17/56/98/411175698.db2.gz LVCSKGZDEXFCPB-HNNXBMFYSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653681305 411175657 /nfs/dbraw/zinc/17/56/57/411175657.db2.gz LVCSKGZDEXFCPB-OAHLLOKOSA-N 1 0 246.398 3.697 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(C)(C)C2CC2)nc1 ZINC000653732041 411274292 /nfs/dbraw/zinc/27/42/92/411274292.db2.gz SSOWARMAENPCJM-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1nsc(C)c1C[N@@H+]1[C@H](C)CCC1(C)C ZINC000653755260 411329848 /nfs/dbraw/zinc/32/98/48/411329848.db2.gz QFPKEIWYUUOJLS-SECBINFHSA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nsc(C)c1C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000653755261 411330004 /nfs/dbraw/zinc/33/00/04/411330004.db2.gz QFPKEIWYUUOJLS-VIFPVBQESA-N 1 0 238.400 3.523 20 0 BHADRO Cc1nsc(C)c1C[N@H+](C)CCC(C)(C)C ZINC000653775944 411165829 /nfs/dbraw/zinc/16/58/29/411165829.db2.gz LDBJDYMQEVECAQ-UHFFFAOYSA-N 1 0 240.416 3.628 20 0 BHADRO CC(C)(CC[N@@H+]1CC[C@@]2(CC2(F)F)C1)C1CC1 ZINC000653780094 411169418 /nfs/dbraw/zinc/16/94/18/411169418.db2.gz VCAQESJSGBMCLS-CYBMUJFWSA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)(CC[N@@H+]1CC[C@]2(CC2(F)F)C1)C1CC1 ZINC000653780095 411169295 /nfs/dbraw/zinc/16/92/95/411169295.db2.gz VCAQESJSGBMCLS-ZDUSSCGKSA-N 1 0 243.341 3.544 20 0 BHADRO CCC[N@H+](C[C@@H]1CCC(F)(F)C1)C(C)C ZINC000653798899 411183696 /nfs/dbraw/zinc/18/36/96/411183696.db2.gz UJYLMCJQLSKRPW-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CCC[N@H+](C[C@H]1CCC(F)(F)C1)C(C)C ZINC000653798900 411183642 /nfs/dbraw/zinc/18/36/42/411183642.db2.gz UJYLMCJQLSKRPW-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)C1CCC(F)(F)CC1 ZINC000653873190 487599856 /nfs/dbraw/zinc/59/98/56/487599856.db2.gz LXZYJTFDFAXMPZ-LLVKDONJSA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)C1CCC(F)(F)CC1 ZINC000653873191 487599834 /nfs/dbraw/zinc/59/98/34/487599834.db2.gz LXZYJTFDFAXMPZ-NSHDSACASA-N 1 0 243.341 3.900 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@H]1CCCCO1 ZINC000653873668 411203860 /nfs/dbraw/zinc/20/38/60/411203860.db2.gz UWNFMCGKEKPSMF-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H]1CCCCO1 ZINC000653873669 411203995 /nfs/dbraw/zinc/20/39/95/411203995.db2.gz UWNFMCGKEKPSMF-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@H]1CCCCO1 ZINC000653873670 411203711 /nfs/dbraw/zinc/20/37/11/411203711.db2.gz UWNFMCGKEKPSMF-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H]1CCCCO1 ZINC000653873671 411203963 /nfs/dbraw/zinc/20/39/63/411203963.db2.gz UWNFMCGKEKPSMF-RDBSUJKOSA-N 1 0 239.403 3.502 20 0 BHADRO c1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)ccn1 ZINC000653892171 411210939 /nfs/dbraw/zinc/21/09/39/411210939.db2.gz BQVPTQIHTIQYEX-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)ccn1 ZINC000653892172 411210891 /nfs/dbraw/zinc/21/08/91/411210891.db2.gz BQVPTQIHTIQYEX-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO c1cncc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000653892336 411210794 /nfs/dbraw/zinc/21/07/94/411210794.db2.gz GWCXZRHLILXESJ-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1cncc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000653892337 411210803 /nfs/dbraw/zinc/21/08/03/411210803.db2.gz GWCXZRHLILXESJ-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)no1 ZINC000653892673 641714837 /nfs/dbraw/zinc/71/48/37/641714837.db2.gz MPMPZKRKYUMYQQ-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)no1 ZINC000653892674 541470069 /nfs/dbraw/zinc/47/00/69/541470069.db2.gz MPMPZKRKYUMYQQ-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)on1 ZINC000653893328 411211413 /nfs/dbraw/zinc/21/14/13/411211413.db2.gz YUEYLWMKPAHBKI-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)on1 ZINC000653893329 411211659 /nfs/dbraw/zinc/21/16/59/411211659.db2.gz YUEYLWMKPAHBKI-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO c1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)nc1 ZINC000653893336 411212043 /nfs/dbraw/zinc/21/20/43/411212043.db2.gz YWUVTMSDOHPSOA-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)nc1 ZINC000653893337 411212074 /nfs/dbraw/zinc/21/20/74/411212074.db2.gz YWUVTMSDOHPSOA-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO Cc1cnc(C[N@@H+]2CCC[C@H]2CC2CCCC2)o1 ZINC000653893352 411211700 /nfs/dbraw/zinc/21/17/00/411211700.db2.gz ZEYJYZWBGHANEU-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)o1 ZINC000653893353 411211743 /nfs/dbraw/zinc/21/17/43/411211743.db2.gz ZEYJYZWBGHANEU-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655680332 488168495 /nfs/dbraw/zinc/16/84/95/488168495.db2.gz LBTQKUVVXBXZGG-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655680333 488168400 /nfs/dbraw/zinc/16/84/00/488168400.db2.gz LBTQKUVVXBXZGG-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655680334 488168326 /nfs/dbraw/zinc/16/83/26/488168326.db2.gz LBTQKUVVXBXZGG-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655680335 488168250 /nfs/dbraw/zinc/16/82/50/488168250.db2.gz LBTQKUVVXBXZGG-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655683254 411223617 /nfs/dbraw/zinc/22/36/17/411223617.db2.gz BCFQLSDJBYHDMI-BZPMIXESSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655683255 411224447 /nfs/dbraw/zinc/22/44/47/411224447.db2.gz BCFQLSDJBYHDMI-DYEKYZERSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655683256 411224220 /nfs/dbraw/zinc/22/42/20/411224220.db2.gz BCFQLSDJBYHDMI-MBNYWOFBSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655683257 411224379 /nfs/dbraw/zinc/22/43/79/411224379.db2.gz BCFQLSDJBYHDMI-YRGRVCCFSA-N 1 0 235.396 3.621 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655683290 411223572 /nfs/dbraw/zinc/22/35/72/411223572.db2.gz CZASMPRLJFUXIE-KBPBESRZSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655683291 411223744 /nfs/dbraw/zinc/22/37/44/411223744.db2.gz CZASMPRLJFUXIE-KGLIPLIRSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655683292 411224166 /nfs/dbraw/zinc/22/41/66/411224166.db2.gz CZASMPRLJFUXIE-UONOGXRCSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655683293 411225407 /nfs/dbraw/zinc/22/54/07/411225407.db2.gz CZASMPRLJFUXIE-ZIAGYGMSSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000655684009 411225568 /nfs/dbraw/zinc/22/55/68/411225568.db2.gz MGMABJYBAPVRRX-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccco1)CC2 ZINC000655684010 411225225 /nfs/dbraw/zinc/22/52/25/411225225.db2.gz MGMABJYBAPVRRX-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1cncnc1C ZINC000655684332 411224856 /nfs/dbraw/zinc/22/48/56/411224856.db2.gz ONUPINIPESPXEI-GXTWGEPZSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1cncnc1C ZINC000655684333 411224962 /nfs/dbraw/zinc/22/49/62/411224962.db2.gz ONUPINIPESPXEI-JSGCOSHPSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1cncnc1C ZINC000655684334 411224680 /nfs/dbraw/zinc/22/46/80/411224680.db2.gz ONUPINIPESPXEI-OCCSQVGLSA-N 1 0 249.402 3.652 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1cncnc1C ZINC000655684335 411225277 /nfs/dbraw/zinc/22/52/77/411225277.db2.gz ONUPINIPESPXEI-TZMCWYRMSA-N 1 0 249.402 3.652 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCCCCC2)CS1 ZINC000655684788 411227125 /nfs/dbraw/zinc/22/71/25/411227125.db2.gz XNGUHCPAOLGAOP-AAEUAGOBSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCCCCC2)CS1 ZINC000655684789 411227239 /nfs/dbraw/zinc/22/72/39/411227239.db2.gz XNGUHCPAOLGAOP-DGCLKSJQSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCCCCC2)CS1 ZINC000655684790 411226707 /nfs/dbraw/zinc/22/67/07/411226707.db2.gz XNGUHCPAOLGAOP-WCQYABFASA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)CS1 ZINC000655684791 411226997 /nfs/dbraw/zinc/22/69/97/411226997.db2.gz XNGUHCPAOLGAOP-YPMHNXCESA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1cccs1 ZINC000655690980 411235913 /nfs/dbraw/zinc/23/59/13/411235913.db2.gz QSHTWGUWPZAJMY-GMTAPVOTSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1cccs1 ZINC000655690981 411235877 /nfs/dbraw/zinc/23/58/77/411235877.db2.gz QSHTWGUWPZAJMY-MXWKQRLJSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655693274 411239114 /nfs/dbraw/zinc/23/91/14/411239114.db2.gz WGCNOOZOACIFRS-GUTXKFCHSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655693275 411239168 /nfs/dbraw/zinc/23/91/68/411239168.db2.gz WGCNOOZOACIFRS-GZBFAFLISA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655693276 411239031 /nfs/dbraw/zinc/23/90/31/411239031.db2.gz WGCNOOZOACIFRS-NFAWXSAZSA-N 1 0 249.423 3.664 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655693277 411239198 /nfs/dbraw/zinc/23/91/98/411239198.db2.gz WGCNOOZOACIFRS-UMVBOHGHSA-N 1 0 249.423 3.664 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC000655697166 411243939 /nfs/dbraw/zinc/24/39/39/411243939.db2.gz IUPGNGILYMSIDJ-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccoc1)CC2 ZINC000655697168 411243963 /nfs/dbraw/zinc/24/39/63/411243963.db2.gz IUPGNGILYMSIDJ-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)CS1 ZINC000655698841 411248880 /nfs/dbraw/zinc/24/88/80/411248880.db2.gz XQQSIPMQZOEHAJ-OSAQELSMSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)CS1 ZINC000655698842 411248914 /nfs/dbraw/zinc/24/89/14/411248914.db2.gz XQQSIPMQZOEHAJ-UXIGCNINSA-N 1 0 247.407 3.548 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655709391 411260140 /nfs/dbraw/zinc/26/01/40/411260140.db2.gz YVVCSJSYZYDRDJ-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655709392 411259522 /nfs/dbraw/zinc/25/95/22/411259522.db2.gz YVVCSJSYZYDRDJ-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCn2ccnc21 ZINC000655718789 411279491 /nfs/dbraw/zinc/27/94/91/411279491.db2.gz MXSJJMFFCQQXOP-KBPBESRZSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCn2ccnc21 ZINC000655718790 411278944 /nfs/dbraw/zinc/27/89/44/411278944.db2.gz MXSJJMFFCQQXOP-KGLIPLIRSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655718791 411279654 /nfs/dbraw/zinc/27/96/54/411279654.db2.gz MXSJJMFFCQQXOP-UONOGXRCSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655718792 411279405 /nfs/dbraw/zinc/27/94/05/411279405.db2.gz MXSJJMFFCQQXOP-ZIAGYGMSSA-N 1 0 249.402 3.667 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC=CC1)CC2 ZINC000655722560 411295182 /nfs/dbraw/zinc/29/51/82/411295182.db2.gz FCGWQPNFRYBBIY-HNNXBMFYSA-N 1 0 227.351 3.599 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC=CC1)CC2 ZINC000655722561 411295013 /nfs/dbraw/zinc/29/50/13/411295013.db2.gz FCGWQPNFRYBBIY-OAHLLOKOSA-N 1 0 227.351 3.599 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000655725956 411331829 /nfs/dbraw/zinc/33/18/29/411331829.db2.gz OHVKTYGBCBGKFT-AAEUAGOBSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000655725957 411332156 /nfs/dbraw/zinc/33/21/56/411332156.db2.gz OHVKTYGBCBGKFT-DGCLKSJQSA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000655725958 411331857 /nfs/dbraw/zinc/33/18/57/411331857.db2.gz OHVKTYGBCBGKFT-WCQYABFASA-N 1 0 249.402 3.650 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000655725959 411332139 /nfs/dbraw/zinc/33/21/39/411332139.db2.gz OHVKTYGBCBGKFT-YPMHNXCESA-N 1 0 249.402 3.650 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655726556 411346685 /nfs/dbraw/zinc/34/66/85/411346685.db2.gz BCFQLSDJBYHDMI-OBJOEFQTSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655726557 411346584 /nfs/dbraw/zinc/34/65/84/411346584.db2.gz BCFQLSDJBYHDMI-OUCADQQQSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655726558 411346589 /nfs/dbraw/zinc/34/65/89/411346589.db2.gz BCFQLSDJBYHDMI-SCRDCRAPSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655726559 411346566 /nfs/dbraw/zinc/34/65/66/411346566.db2.gz BCFQLSDJBYHDMI-SGMGOOAPSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655728686 411368245 /nfs/dbraw/zinc/36/82/45/411368245.db2.gz YDKNZXJRAVHVJV-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655728687 411368134 /nfs/dbraw/zinc/36/81/34/411368134.db2.gz YDKNZXJRAVHVJV-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655728688 411367816 /nfs/dbraw/zinc/36/78/16/411367816.db2.gz YDKNZXJRAVHVJV-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655728689 411367711 /nfs/dbraw/zinc/36/77/11/411367711.db2.gz YDKNZXJRAVHVJV-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655733182 411441877 /nfs/dbraw/zinc/44/18/77/411441877.db2.gz KFHNROLJULAPLO-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655733183 411442363 /nfs/dbraw/zinc/44/23/63/411442363.db2.gz KFHNROLJULAPLO-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CS1 ZINC000655734488 411443216 /nfs/dbraw/zinc/44/32/16/411443216.db2.gz JQKGIIWUWHJQAS-GXTWGEPZSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CS1 ZINC000655734489 411443337 /nfs/dbraw/zinc/44/33/37/411443337.db2.gz JQKGIIWUWHJQAS-JSGCOSHPSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CS1 ZINC000655734490 411443344 /nfs/dbraw/zinc/44/33/44/411443344.db2.gz JQKGIIWUWHJQAS-OCCSQVGLSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CS1 ZINC000655734491 411442818 /nfs/dbraw/zinc/44/28/18/411442818.db2.gz JQKGIIWUWHJQAS-TZMCWYRMSA-N 1 0 247.407 3.549 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)CS1 ZINC000655759533 643424668 /nfs/dbraw/zinc/42/46/68/643424668.db2.gz OONBYULARYACAY-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)CS1 ZINC000655759535 643423915 /nfs/dbraw/zinc/42/39/15/643423915.db2.gz OONBYULARYACAY-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)CS1 ZINC000655759538 711794777 /nfs/dbraw/zinc/79/47/77/711794777.db2.gz OONBYULARYACAY-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)CS1 ZINC000655759542 711794758 /nfs/dbraw/zinc/79/47/58/711794758.db2.gz OONBYULARYACAY-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccsc1 ZINC000655762704 411206682 /nfs/dbraw/zinc/20/66/82/411206682.db2.gz IBHPDYXQECOMES-CKYFFXLPSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccsc1 ZINC000655762705 411206546 /nfs/dbraw/zinc/20/65/46/411206546.db2.gz IBHPDYXQECOMES-FOGDFJRCSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccsc1 ZINC000655762706 411206637 /nfs/dbraw/zinc/20/66/37/411206637.db2.gz IBHPDYXQECOMES-JFGNBEQYSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccsc1 ZINC000655762707 411206541 /nfs/dbraw/zinc/20/65/41/411206541.db2.gz IBHPDYXQECOMES-SCVCMEIPSA-N 1 0 241.425 3.683 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCCF)CC2 ZINC000655769687 411251876 /nfs/dbraw/zinc/25/18/76/411251876.db2.gz LZEYSMNZKTUVAH-AWEZNQCLSA-N 1 0 235.346 3.630 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCCF)CC2 ZINC000655769688 411252168 /nfs/dbraw/zinc/25/21/68/411252168.db2.gz LZEYSMNZKTUVAH-CQSZACIVSA-N 1 0 235.346 3.630 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CC[C@H](C)F)CC2 ZINC000655770621 411252124 /nfs/dbraw/zinc/25/21/24/411252124.db2.gz MYWNRJSIOIRQKD-GXTWGEPZSA-N 1 0 235.346 3.628 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC[C@H](C)F)CC2 ZINC000655770624 411252219 /nfs/dbraw/zinc/25/22/19/411252219.db2.gz MYWNRJSIOIRQKD-JSGCOSHPSA-N 1 0 235.346 3.628 20 0 BHADRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC[C@@H](C)F)CC2 ZINC000655770626 411252213 /nfs/dbraw/zinc/25/22/13/411252213.db2.gz MYWNRJSIOIRQKD-OCCSQVGLSA-N 1 0 235.346 3.628 20 0 BHADRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CC[C@@H](C)F)CC2 ZINC000655770629 411252214 /nfs/dbraw/zinc/25/22/14/411252214.db2.gz MYWNRJSIOIRQKD-TZMCWYRMSA-N 1 0 235.346 3.628 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772703 411254978 /nfs/dbraw/zinc/25/49/78/411254978.db2.gz JVPOVOVAROUVMT-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772704 411254724 /nfs/dbraw/zinc/25/47/24/411254724.db2.gz JVPOVOVAROUVMT-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772705 411254589 /nfs/dbraw/zinc/25/45/89/411254589.db2.gz JVPOVOVAROUVMT-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772706 411254985 /nfs/dbraw/zinc/25/49/85/411254985.db2.gz JVPOVOVAROUVMT-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2(C3CCC3)CCC2)CS1 ZINC000655776371 411285818 /nfs/dbraw/zinc/28/58/18/411285818.db2.gz ILNIGUUARKOXQM-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(C3CCC3)CCC2)CS1 ZINC000655776372 411285812 /nfs/dbraw/zinc/28/58/12/411285812.db2.gz ILNIGUUARKOXQM-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2(C3CCC3)CCC2)CS1 ZINC000655776373 411285804 /nfs/dbraw/zinc/28/58/04/411285804.db2.gz ILNIGUUARKOXQM-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(C3CCC3)CCC2)CS1 ZINC000655776374 411285878 /nfs/dbraw/zinc/28/58/78/411285878.db2.gz ILNIGUUARKOXQM-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655784976 411226113 /nfs/dbraw/zinc/22/61/13/411226113.db2.gz GYOLEXPXGZDHQI-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655784977 411226071 /nfs/dbraw/zinc/22/60/71/411226071.db2.gz GYOLEXPXGZDHQI-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000655784978 411226098 /nfs/dbraw/zinc/22/60/98/411226098.db2.gz GYOLEXPXGZDHQI-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655784979 411225793 /nfs/dbraw/zinc/22/57/93/411225793.db2.gz GYOLEXPXGZDHQI-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655788825 487715208 /nfs/dbraw/zinc/71/52/08/487715208.db2.gz PRXILMCOWIZFKH-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000655788826 487714875 /nfs/dbraw/zinc/71/48/75/487714875.db2.gz PRXILMCOWIZFKH-RRFJBIMHSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655788827 487714814 /nfs/dbraw/zinc/71/48/14/487714814.db2.gz PRXILMCOWIZFKH-SOUVJXGZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655788828 487715138 /nfs/dbraw/zinc/71/51/38/487715138.db2.gz PRXILMCOWIZFKH-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO c1cc2cc(C[NH2+]C3CC4(CCC4)C3)ccc2[nH]1 ZINC000655799611 411516930 /nfs/dbraw/zinc/51/69/30/411516930.db2.gz KIOFBGVYHYHMGE-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cc(C[NH2+]C3(C4CCC4)CC3)ccc2[nH]1 ZINC000655799780 411517111 /nfs/dbraw/zinc/51/71/11/411517111.db2.gz PJAJDMKODRYDSQ-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1ccccc1F ZINC000655806570 411520177 /nfs/dbraw/zinc/52/01/77/411520177.db2.gz YPWRPIATMBGQCX-OAHLLOKOSA-N 1 0 247.313 3.968 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655808407 411522466 /nfs/dbraw/zinc/52/24/66/411522466.db2.gz YUCOTZIUYOGFJZ-AWEZNQCLSA-N 1 0 248.414 3.655 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655808408 411522564 /nfs/dbraw/zinc/52/25/64/411522564.db2.gz YUCOTZIUYOGFJZ-CQSZACIVSA-N 1 0 248.414 3.655 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCc1ncc(C)cc1C ZINC000655809410 411522887 /nfs/dbraw/zinc/52/28/87/411522887.db2.gz ZNFFYNAJNFKINL-HNNXBMFYSA-N 1 0 248.414 3.799 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCc1ncc(C)cc1C ZINC000655809411 411522539 /nfs/dbraw/zinc/52/25/39/411522539.db2.gz ZNFFYNAJNFKINL-OAHLLOKOSA-N 1 0 248.414 3.799 20 0 BHADRO CCCC(CCC)[NH2+]CCc1ncc(C)cc1C ZINC000655811494 411524779 /nfs/dbraw/zinc/52/47/79/411524779.db2.gz TUHOKPWOWSDLNL-UHFFFAOYSA-N 1 0 248.414 3.799 20 0 BHADRO Cc1cccc(C[NH2+]C2(C)CC=CC2)c1C ZINC000655813259 488009201 /nfs/dbraw/zinc/00/92/01/488009201.db2.gz BCBUENFURMGFTG-UHFFFAOYSA-N 1 0 215.340 3.502 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(C)CC=CC2)o1 ZINC000655813334 488009646 /nfs/dbraw/zinc/00/96/46/488009646.db2.gz CHUKRZOOWUPZRG-AAEUAGOBSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(C)CC=CC2)o1 ZINC000655813336 488009626 /nfs/dbraw/zinc/00/96/26/488009626.db2.gz CHUKRZOOWUPZRG-DGCLKSJQSA-N 1 0 231.339 3.601 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(C)CC=CC2)o1 ZINC000655813337 488009898 /nfs/dbraw/zinc/00/98/98/488009898.db2.gz CHUKRZOOWUPZRG-WCQYABFASA-N 1 0 231.339 3.601 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(C)CC=CC2)o1 ZINC000655813338 488009919 /nfs/dbraw/zinc/00/99/19/488009919.db2.gz CHUKRZOOWUPZRG-YPMHNXCESA-N 1 0 231.339 3.601 20 0 BHADRO CCCOc1cccc(C[NH2+]C2(C)CC=CC2)c1 ZINC000655813569 488009736 /nfs/dbraw/zinc/00/97/36/488009736.db2.gz CURBKUYXETXBEI-UHFFFAOYSA-N 1 0 245.366 3.674 20 0 BHADRO CCCOc1ccc(C[NH2+]C2(C)CC=CC2)cc1 ZINC000655813621 488009783 /nfs/dbraw/zinc/00/97/83/488009783.db2.gz FDQDNEVTOKCRJF-UHFFFAOYSA-N 1 0 245.366 3.674 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CC=CC2)cc1C ZINC000655813753 411523450 /nfs/dbraw/zinc/52/34/50/411523450.db2.gz HLDXQWRGMODKGK-UHFFFAOYSA-N 1 0 215.340 3.502 20 0 BHADRO CC1([NH2+]Cc2cc3ccccc3o2)CC=CC1 ZINC000655813787 411523743 /nfs/dbraw/zinc/52/37/43/411523743.db2.gz HWWPUAGQJCDLLL-UHFFFAOYSA-N 1 0 227.307 3.631 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CC=CC2)c(C)c1 ZINC000655813816 411524016 /nfs/dbraw/zinc/52/40/16/411524016.db2.gz IDHHWPQJGVZSEP-UHFFFAOYSA-N 1 0 215.340 3.502 20 0 BHADRO CC1([NH2+]C/C=C\c2ccc(F)cc2F)CC=CC1 ZINC000655813829 411523963 /nfs/dbraw/zinc/52/39/63/411523963.db2.gz CBIFQZJGWNVICW-PLNGDYQASA-N 1 0 249.304 3.676 20 0 BHADRO CC1([NH2+]C/C=C/c2ccc(F)cc2F)CC=CC1 ZINC000655813832 411523927 /nfs/dbraw/zinc/52/39/27/411523927.db2.gz CBIFQZJGWNVICW-SNAWJCMRSA-N 1 0 249.304 3.676 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CC=CC2)s1 ZINC000655813904 411523952 /nfs/dbraw/zinc/52/39/52/411523952.db2.gz DEZKCMATDRVOOX-UHFFFAOYSA-N 1 0 221.369 3.509 20 0 BHADRO CC1([NH2+]Cc2cc3cc(F)ccc3o2)CC=CC1 ZINC000655813990 411523581 /nfs/dbraw/zinc/52/35/81/411523581.db2.gz FRFXXVIAOIBONU-UHFFFAOYSA-N 1 0 245.297 3.770 20 0 BHADRO CC(C)Oc1ccc(C[NH2+]C2(C)CC=CC2)cc1 ZINC000655814000 411523492 /nfs/dbraw/zinc/52/34/92/411523492.db2.gz FXLSSRILYIJIHI-UHFFFAOYSA-N 1 0 245.366 3.672 20 0 BHADRO CC1([NH2+]Cc2ccc(F)cc2Cl)CC=CC1 ZINC000655814010 411523530 /nfs/dbraw/zinc/52/35/30/411523530.db2.gz GKBDBGAEGBFQNX-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2cc(Cl)ccc2F)CC=CC1 ZINC000655814013 411523541 /nfs/dbraw/zinc/52/35/41/411523541.db2.gz GMIQCTKYZWAQBC-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)c(F)c2)CC=CC1 ZINC000655814022 411523960 /nfs/dbraw/zinc/52/39/60/411523960.db2.gz GQZNAQYNVWIACO-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2cscc2Cl)CC=CC1 ZINC000655814202 411524024 /nfs/dbraw/zinc/52/40/24/411524024.db2.gz JFOIKCIDJOVMER-UHFFFAOYSA-N 1 0 227.760 3.600 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2F)CC=CC1 ZINC000655814228 411523667 /nfs/dbraw/zinc/52/36/67/411523667.db2.gz JZKRMHORHBOYLY-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2cnc(C3CCC3)s2)CC=CC1 ZINC000655814295 411523587 /nfs/dbraw/zinc/52/35/87/411523587.db2.gz KWRFUWIGCHJQLU-UHFFFAOYSA-N 1 0 248.395 3.609 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]C1(C)CC=CC1 ZINC000655814456 411523966 /nfs/dbraw/zinc/52/39/66/411523966.db2.gz MYUZBLJXRFIRML-OWBHPGMISA-N 1 0 227.351 3.788 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]C1(C)CC=CC1 ZINC000655814457 411523981 /nfs/dbraw/zinc/52/39/81/411523981.db2.gz MYUZBLJXRFIRML-WYMLVPIESA-N 1 0 227.351 3.788 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2)CC=CC1 ZINC000655814550 411523902 /nfs/dbraw/zinc/52/39/02/411523902.db2.gz NEZJEVFMGYYOHP-UHFFFAOYSA-N 1 0 221.731 3.538 20 0 BHADRO CC1([NH2+]Cc2ccccc2C2CC2)CC=CC1 ZINC000655814619 411523843 /nfs/dbraw/zinc/52/38/43/411523843.db2.gz NPCOJWOSHVFTJT-UHFFFAOYSA-N 1 0 227.351 3.762 20 0 BHADRO CC1([NH2+]C/C=C\c2ccc(F)cc2)CC=CC1 ZINC000655814672 411523611 /nfs/dbraw/zinc/52/36/11/411523611.db2.gz OUTPFXURFNBJPH-PLNGDYQASA-N 1 0 231.314 3.537 20 0 BHADRO CC1([NH2+]C/C=C/c2ccc(F)cc2)CC=CC1 ZINC000655814673 411523711 /nfs/dbraw/zinc/52/37/11/411523711.db2.gz OUTPFXURFNBJPH-SNAWJCMRSA-N 1 0 231.314 3.537 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CC=CC2)c(C)s1 ZINC000655814789 411523654 /nfs/dbraw/zinc/52/36/54/411523654.db2.gz QFLDHGUVVIPLHS-UHFFFAOYSA-N 1 0 221.369 3.563 20 0 BHADRO CC1([NH2+]Cc2cccc(Cl)c2F)CC=CC1 ZINC000655814888 411523766 /nfs/dbraw/zinc/52/37/66/411523766.db2.gz SLRUEYPEZZOZMC-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC(C)Oc1cccc(C[NH2+]C2(C)CC=CC2)c1 ZINC000655814895 411523632 /nfs/dbraw/zinc/52/36/32/411523632.db2.gz SQSSLVCQONLCFF-UHFFFAOYSA-N 1 0 245.366 3.672 20 0 BHADRO CC1([NH2+]Cc2ccc(F)c(Cl)c2)CC=CC1 ZINC000655814975 411523495 /nfs/dbraw/zinc/52/34/95/411523495.db2.gz VTOARJPQEQCIBC-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2ccccc2Cl)CC=CC1 ZINC000655815045 411523793 /nfs/dbraw/zinc/52/37/93/411523793.db2.gz UAHKUMJOLZGTNB-UHFFFAOYSA-N 1 0 221.731 3.538 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C2(C)CC=CC2)c1 ZINC000655815085 411523556 /nfs/dbraw/zinc/52/35/56/411523556.db2.gz UPZTVDCVYVVNTL-UHFFFAOYSA-N 1 0 215.340 3.502 20 0 BHADRO CC1([NH2+]Cc2ccsc2Cl)CC=CC1 ZINC000655815155 411524071 /nfs/dbraw/zinc/52/40/71/411524071.db2.gz XFMQWFWYLMRKNP-UHFFFAOYSA-N 1 0 227.760 3.600 20 0 BHADRO CC1([NH2+]Cc2coc3ccccc23)CC=CC1 ZINC000655815202 411524105 /nfs/dbraw/zinc/52/41/05/411524105.db2.gz YOOILGPJPSFGHE-UHFFFAOYSA-N 1 0 227.307 3.631 20 0 BHADRO CSc1ccc(C[NH2+]C2(C)CC=CC2)cc1 ZINC000655815332 411524602 /nfs/dbraw/zinc/52/46/02/411524602.db2.gz XEMAHBYYNLXTDK-UHFFFAOYSA-N 1 0 233.380 3.607 20 0 BHADRO CC1([NH2+]Cc2cccc(Cl)c2)CC=CC1 ZINC000655815349 411524481 /nfs/dbraw/zinc/52/44/81/411524481.db2.gz XUAPGTBABZSHRE-UHFFFAOYSA-N 1 0 221.731 3.538 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)s2)CC=CC1 ZINC000655815411 411524655 /nfs/dbraw/zinc/52/46/55/411524655.db2.gz ZJPFTBGKTYATAH-UHFFFAOYSA-N 1 0 227.760 3.600 20 0 BHADRO CSc1ccc(C[NH2+]C2(C)CC=CC2)s1 ZINC000655815471 411524743 /nfs/dbraw/zinc/52/47/43/411524743.db2.gz AQQJNGVNVUNIHN-UHFFFAOYSA-N 1 0 239.409 3.668 20 0 BHADRO CC1([NH2+]Cc2cc(F)cc(Cl)c2)CC=CC1 ZINC000655815701 411524746 /nfs/dbraw/zinc/52/47/46/411524746.db2.gz GHMIGZSPDFBYIR-UHFFFAOYSA-N 1 0 239.721 3.677 20 0 BHADRO CC1([NH2+]Cc2cccc(C3CC3)c2)CC=CC1 ZINC000655815750 411524546 /nfs/dbraw/zinc/52/45/46/411524546.db2.gz HNROXNBUOQDORE-UHFFFAOYSA-N 1 0 227.351 3.762 20 0 BHADRO CC1([NH2+]Cc2sccc2Cl)CC=CC1 ZINC000655816056 411523621 /nfs/dbraw/zinc/52/36/21/411523621.db2.gz NJBHGJNRWSBNRQ-UHFFFAOYSA-N 1 0 227.760 3.600 20 0 BHADRO CC1([NH2+]Cc2ccc3occc3c2)CC=CC1 ZINC000655816240 411527411 /nfs/dbraw/zinc/52/74/11/411527411.db2.gz RTBHMXAAAGLRAL-UHFFFAOYSA-N 1 0 227.307 3.631 20 0 BHADRO CC1([NH2+]Cc2ccc(C3CC3)cc2)CC=CC1 ZINC000655816319 411527113 /nfs/dbraw/zinc/52/71/13/411527113.db2.gz VCFPYPORZDXGHB-UHFFFAOYSA-N 1 0 227.351 3.762 20 0 BHADRO CC1([NH2+]C/C=C\c2ccc(F)c(F)c2)CC=CC1 ZINC000655816426 411527615 /nfs/dbraw/zinc/52/76/15/411527615.db2.gz XDSWKYHSOGQVCT-PLNGDYQASA-N 1 0 249.304 3.676 20 0 BHADRO CC1([NH2+]C/C=C/c2ccc(F)c(F)c2)CC=CC1 ZINC000655816427 411527198 /nfs/dbraw/zinc/52/71/98/411527198.db2.gz XDSWKYHSOGQVCT-SNAWJCMRSA-N 1 0 249.304 3.676 20 0 BHADRO CC1([NH2+]Cc2ccc(C(F)F)cc2)CC=CC1 ZINC000655816473 411527173 /nfs/dbraw/zinc/52/71/73/411527173.db2.gz XZPQDDRXJISPPO-UHFFFAOYSA-N 1 0 237.293 3.823 20 0 BHADRO CCC[C@H]([NH2+]CC1(COC)CC1)c1ccccc1 ZINC000655819915 411525804 /nfs/dbraw/zinc/52/58/04/411525804.db2.gz DBOZYIZHRVTNSH-HNNXBMFYSA-N 1 0 247.382 3.544 20 0 BHADRO CCC[C@@H]([NH2+]CC1(COC)CC1)c1ccccc1 ZINC000655819916 411525931 /nfs/dbraw/zinc/52/59/31/411525931.db2.gz DBOZYIZHRVTNSH-OAHLLOKOSA-N 1 0 247.382 3.544 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C)Cc1ccccn1 ZINC000655832459 411529044 /nfs/dbraw/zinc/52/90/44/411529044.db2.gz XYFDSROZKRLHCK-CWRNSKLLSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@H](C)Cc1ccccn1 ZINC000655832460 411529427 /nfs/dbraw/zinc/52/94/27/411529427.db2.gz XYFDSROZKRLHCK-FVQBIDKESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H](C)Cc1ccccn1 ZINC000655832461 411529111 /nfs/dbraw/zinc/52/91/11/411529111.db2.gz XYFDSROZKRLHCK-NUEKZKHPSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H](C)Cc1ccccn1 ZINC000655832462 411528971 /nfs/dbraw/zinc/52/89/71/411528971.db2.gz XYFDSROZKRLHCK-VNQPRFMTSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655833469 411529674 /nfs/dbraw/zinc/52/96/74/411529674.db2.gz DPHBSXAPPBVYDS-KKUMJFAQSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655833470 411530013 /nfs/dbraw/zinc/53/00/13/411530013.db2.gz DPHBSXAPPBVYDS-RRFJBIMHSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655833471 411529805 /nfs/dbraw/zinc/52/98/05/411529805.db2.gz DPHBSXAPPBVYDS-SOUVJXGZSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655833472 411530009 /nfs/dbraw/zinc/53/00/09/411530009.db2.gz DPHBSXAPPBVYDS-ZNMIVQPWSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)Cc1ccccn1)C1CCC1 ZINC000655833611 411529936 /nfs/dbraw/zinc/52/99/36/411529936.db2.gz FHSVRIOJDIHJJY-BBRMVZONSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)Cc1ccccn1)C1CCC1 ZINC000655833612 411529981 /nfs/dbraw/zinc/52/99/81/411529981.db2.gz FHSVRIOJDIHJJY-CJNGLKHVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)Cc1ccccn1)C1CCC1 ZINC000655833613 411530047 /nfs/dbraw/zinc/53/00/47/411530047.db2.gz FHSVRIOJDIHJJY-CZUORRHYSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1CCC1 ZINC000655833614 411530066 /nfs/dbraw/zinc/53/00/66/411530066.db2.gz FHSVRIOJDIHJJY-XJKSGUPXSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)C1CCCC1 ZINC000655834160 411530545 /nfs/dbraw/zinc/53/05/45/411530545.db2.gz KMFPPMFABXRERX-BBRMVZONSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H]([NH2+][C@H](C)Cc1ccccn1)C1CCCC1 ZINC000655834161 411530920 /nfs/dbraw/zinc/53/09/20/411530920.db2.gz KMFPPMFABXRERX-CJNGLKHVSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)C1CCCC1 ZINC000655834162 411530731 /nfs/dbraw/zinc/53/07/31/411530731.db2.gz KMFPPMFABXRERX-CZUORRHYSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1CCCC1 ZINC000655834163 411530884 /nfs/dbraw/zinc/53/08/84/411530884.db2.gz KMFPPMFABXRERX-XJKSGUPXSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655834268 411530560 /nfs/dbraw/zinc/53/05/60/411530560.db2.gz NCFAHLAECSMGJS-KBPBESRZSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655834269 411530821 /nfs/dbraw/zinc/53/08/21/411530821.db2.gz NCFAHLAECSMGJS-KGLIPLIRSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CCC(C)(C)C ZINC000655834270 411530468 /nfs/dbraw/zinc/53/04/68/411530468.db2.gz NCFAHLAECSMGJS-UONOGXRCSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655834271 411530797 /nfs/dbraw/zinc/53/07/97/411530797.db2.gz NCFAHLAECSMGJS-ZIAGYGMSSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccccn1 ZINC000655834547 411531339 /nfs/dbraw/zinc/53/13/39/411531339.db2.gz DOMWSIRJKTXCDS-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccccn1 ZINC000655834548 411531546 /nfs/dbraw/zinc/53/15/46/411531546.db2.gz DOMWSIRJKTXCDS-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccn1 ZINC000655834549 411531228 /nfs/dbraw/zinc/53/12/28/411531228.db2.gz DOMWSIRJKTXCDS-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccccn1 ZINC000655834550 411531622 /nfs/dbraw/zinc/53/16/22/411531622.db2.gz DOMWSIRJKTXCDS-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCCC[C@H]1C ZINC000655834586 411531543 /nfs/dbraw/zinc/53/15/43/411531543.db2.gz PKVJDZBRJCGCMM-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000655834587 411531386 /nfs/dbraw/zinc/53/13/86/411531386.db2.gz PKVJDZBRJCGCMM-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000655834588 411531312 /nfs/dbraw/zinc/53/13/12/411531312.db2.gz PKVJDZBRJCGCMM-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000655834589 411531464 /nfs/dbraw/zinc/53/14/64/411531464.db2.gz PKVJDZBRJCGCMM-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000655834744 411531311 /nfs/dbraw/zinc/53/13/11/411531311.db2.gz GLACADKDDGRGMH-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000655834745 411531309 /nfs/dbraw/zinc/53/13/09/411531309.db2.gz GLACADKDDGRGMH-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000655834746 411531337 /nfs/dbraw/zinc/53/13/37/411531337.db2.gz GLACADKDDGRGMH-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000655834747 411531215 /nfs/dbraw/zinc/53/12/15/411531215.db2.gz GLACADKDDGRGMH-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)CC1CCCC1 ZINC000655834751 411531182 /nfs/dbraw/zinc/53/11/82/411531182.db2.gz GUQSYZVXFHIFLX-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655834752 411531402 /nfs/dbraw/zinc/53/14/02/411531402.db2.gz GUQSYZVXFHIFLX-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CC1CCCC1 ZINC000655834753 411531388 /nfs/dbraw/zinc/53/13/88/411531388.db2.gz GUQSYZVXFHIFLX-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)CC1CCCC1 ZINC000655834754 411531462 /nfs/dbraw/zinc/53/14/62/411531462.db2.gz GUQSYZVXFHIFLX-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000655836172 411532159 /nfs/dbraw/zinc/53/21/59/411532159.db2.gz DXZHTRPTRISCEC-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000655836173 411532207 /nfs/dbraw/zinc/53/22/07/411532207.db2.gz DXZHTRPTRISCEC-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000655836174 411531793 /nfs/dbraw/zinc/53/17/93/411531793.db2.gz DXZHTRPTRISCEC-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000655836175 411531898 /nfs/dbraw/zinc/53/18/98/411531898.db2.gz DXZHTRPTRISCEC-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655836317 411531820 /nfs/dbraw/zinc/53/18/20/411531820.db2.gz IDHJDGLXDDQIMW-DZKIICNBSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655836318 411532325 /nfs/dbraw/zinc/53/23/25/411532325.db2.gz IDHJDGLXDDQIMW-LZWOXQAQSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655836319 411532196 /nfs/dbraw/zinc/53/21/96/411532196.db2.gz IDHJDGLXDDQIMW-OFQRWUPVSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655836320 411532324 /nfs/dbraw/zinc/53/23/24/411532324.db2.gz IDHJDGLXDDQIMW-SQWLQELKSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCCCC1(C)C ZINC000655836441 411532204 /nfs/dbraw/zinc/53/22/04/411532204.db2.gz LFIUXHUDNHPUAW-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCCC1(C)C ZINC000655836442 411531932 /nfs/dbraw/zinc/53/19/32/411531932.db2.gz LFIUXHUDNHPUAW-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCCC1(C)C ZINC000655836443 411532243 /nfs/dbraw/zinc/53/22/43/411532243.db2.gz LFIUXHUDNHPUAW-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCCCC1(C)C ZINC000655836444 411532305 /nfs/dbraw/zinc/53/23/05/411532305.db2.gz LFIUXHUDNHPUAW-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+]C1CCC(C)(C)CC1 ZINC000655836734 411532327 /nfs/dbraw/zinc/53/23/27/411532327.db2.gz NREDFNPDFUMIIT-CYBMUJFWSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+]C1CCC(C)(C)CC1 ZINC000655836735 411532129 /nfs/dbraw/zinc/53/21/29/411532129.db2.gz NREDFNPDFUMIIT-ZDUSSCGKSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000655836982 411532331 /nfs/dbraw/zinc/53/23/31/411532331.db2.gz ASUBKVGESZRTHP-NFOMZHRRSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000655836983 411531957 /nfs/dbraw/zinc/53/19/57/411531957.db2.gz ASUBKVGESZRTHP-WLYUNCDWSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837324 411532831 /nfs/dbraw/zinc/53/28/31/411532831.db2.gz COVNGGRVPFCUGP-CYBMUJFWSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837325 411532767 /nfs/dbraw/zinc/53/27/67/411532767.db2.gz COVNGGRVPFCUGP-ZDUSSCGKSA-N 1 0 234.387 3.571 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837603 411533070 /nfs/dbraw/zinc/53/30/70/411533070.db2.gz FKDYKDMEFUKFJL-CABCVRRESA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837604 411533125 /nfs/dbraw/zinc/53/31/25/411533125.db2.gz FKDYKDMEFUKFJL-GJZGRUSLSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837605 411532685 /nfs/dbraw/zinc/53/26/85/411532685.db2.gz FKDYKDMEFUKFJL-HUUCEWRRSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837606 411533132 /nfs/dbraw/zinc/53/31/32/411533132.db2.gz FKDYKDMEFUKFJL-LSDHHAIUSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837664 411532853 /nfs/dbraw/zinc/53/28/53/411532853.db2.gz GYJDRHCIPHBNBC-KBPBESRZSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837665 411533103 /nfs/dbraw/zinc/53/31/03/411533103.db2.gz GYJDRHCIPHBNBC-KGLIPLIRSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837666 411533044 /nfs/dbraw/zinc/53/30/44/411533044.db2.gz GYJDRHCIPHBNBC-UONOGXRCSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837667 411533060 /nfs/dbraw/zinc/53/30/60/411533060.db2.gz GYJDRHCIPHBNBC-ZIAGYGMSSA-N 1 0 234.387 3.571 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)C1CCCCC1 ZINC000655838114 411533028 /nfs/dbraw/zinc/53/30/28/411533028.db2.gz ITCSDXDJXCTGOB-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C1CCCCC1 ZINC000655838115 411533005 /nfs/dbraw/zinc/53/30/05/411533005.db2.gz ITCSDXDJXCTGOB-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1CCCCC1 ZINC000655838116 411532706 /nfs/dbraw/zinc/53/27/06/411532706.db2.gz ITCSDXDJXCTGOB-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)C1CCCCC1 ZINC000655838117 411532773 /nfs/dbraw/zinc/53/27/73/411532773.db2.gz ITCSDXDJXCTGOB-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655838474 411532935 /nfs/dbraw/zinc/53/29/35/411532935.db2.gz NKZOIEHJHHHHBM-KKUMJFAQSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655838475 411532965 /nfs/dbraw/zinc/53/29/65/411532965.db2.gz NKZOIEHJHHHHBM-RRFJBIMHSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655838476 411533027 /nfs/dbraw/zinc/53/30/27/411533027.db2.gz NKZOIEHJHHHHBM-SOUVJXGZSA-N 1 0 248.414 3.817 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655838477 411533058 /nfs/dbraw/zinc/53/30/58/411533058.db2.gz NKZOIEHJHHHHBM-ZNMIVQPWSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1 ZINC000655839415 411533864 /nfs/dbraw/zinc/53/38/64/411533864.db2.gz SOCRFMXMEZKUCH-BPLDGKMQSA-N 1 0 247.382 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1 ZINC000655839416 411533775 /nfs/dbraw/zinc/53/37/75/411533775.db2.gz SOCRFMXMEZKUCH-QEJZJMRPSA-N 1 0 247.382 3.683 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655839782 411533741 /nfs/dbraw/zinc/53/37/41/411533741.db2.gz ZZKYTISJDRREST-CABCVRRESA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655839783 411533609 /nfs/dbraw/zinc/53/36/09/411533609.db2.gz ZZKYTISJDRREST-GJZGRUSLSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655839784 411533884 /nfs/dbraw/zinc/53/38/84/411533884.db2.gz ZZKYTISJDRREST-HUUCEWRRSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655839785 411533703 /nfs/dbraw/zinc/53/37/03/411533703.db2.gz ZZKYTISJDRREST-LSDHHAIUSA-N 1 0 246.398 3.737 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)Cc1ccccn1)C(C)C ZINC000655842342 488011810 /nfs/dbraw/zinc/01/18/10/488011810.db2.gz ILIYQDFPCNQMJV-AWEZNQCLSA-N 1 0 248.414 3.530 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)Cc1ccccn1)C(C)C ZINC000655842344 488012241 /nfs/dbraw/zinc/01/22/41/488012241.db2.gz ILIYQDFPCNQMJV-CQSZACIVSA-N 1 0 248.414 3.530 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+]CC1CCCCCC1 ZINC000655844216 411534967 /nfs/dbraw/zinc/53/49/67/411534967.db2.gz PWCSKEUDFMZBEI-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+]CC1CCCCCC1 ZINC000655844217 411534988 /nfs/dbraw/zinc/53/49/88/411534988.db2.gz PWCSKEUDFMZBEI-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC1CC1)[C@H]1CCCCO1 ZINC000655845734 490261996 /nfs/dbraw/zinc/26/19/96/490261996.db2.gz ATWKEUHAGWVQFH-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC1CC1)[C@@H]1CCCCO1 ZINC000655845736 490261989 /nfs/dbraw/zinc/26/19/89/490261989.db2.gz ATWKEUHAGWVQFH-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC1CC1)[C@@H]1CCCCO1 ZINC000655845738 490262058 /nfs/dbraw/zinc/26/20/58/490262058.db2.gz ATWKEUHAGWVQFH-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC1CC1)[C@H]1CCCCO1 ZINC000655845740 490262110 /nfs/dbraw/zinc/26/21/10/490262110.db2.gz ATWKEUHAGWVQFH-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000655846091 488013665 /nfs/dbraw/zinc/01/36/65/488013665.db2.gz DAAPVRLOULNLEL-GWCFXTLKSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000655846092 488013639 /nfs/dbraw/zinc/01/36/39/488013639.db2.gz DAAPVRLOULNLEL-GXFFZTMASA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000655846093 488013264 /nfs/dbraw/zinc/01/32/64/488013264.db2.gz DAAPVRLOULNLEL-MFKMUULPSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000655846094 488013913 /nfs/dbraw/zinc/01/39/13/488013913.db2.gz DAAPVRLOULNLEL-ZWNOBZJWSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000655846640 411535688 /nfs/dbraw/zinc/53/56/88/411535688.db2.gz JBFQKXCPRDVNSG-BLFANLJRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000655846641 411536141 /nfs/dbraw/zinc/53/61/41/411536141.db2.gz JBFQKXCPRDVNSG-DCQANWLSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000655846642 411535900 /nfs/dbraw/zinc/53/59/00/411535900.db2.gz JBFQKXCPRDVNSG-UZWSLXQKSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000655846643 411535861 /nfs/dbraw/zinc/53/58/61/411535861.db2.gz JBFQKXCPRDVNSG-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1C[C@H]1C ZINC000655847021 411536031 /nfs/dbraw/zinc/53/60/31/411536031.db2.gz OQXXQEOMQPGLGQ-BLFANLJRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)C1CCC(F)(F)CC1 ZINC000655847022 411535819 /nfs/dbraw/zinc/53/58/19/411535819.db2.gz OQXXQEOMQPGLGQ-DCQANWLSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)[C@H]1C[C@H]1C ZINC000655847023 411536054 /nfs/dbraw/zinc/53/60/54/411536054.db2.gz OQXXQEOMQPGLGQ-UZWSLXQKSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1C[C@H]1C ZINC000655847024 411535569 /nfs/dbraw/zinc/53/55/69/411535569.db2.gz OQXXQEOMQPGLGQ-XZUYRWCXSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000655847136 411536150 /nfs/dbraw/zinc/53/61/50/411536150.db2.gz RBYJGBBINFWOAA-DMDPSCGWSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000655847137 411535664 /nfs/dbraw/zinc/53/56/64/411535664.db2.gz RBYJGBBINFWOAA-LOWVWBTDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000655847138 411536100 /nfs/dbraw/zinc/53/61/00/411536100.db2.gz RBYJGBBINFWOAA-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000655847139 411535992 /nfs/dbraw/zinc/53/59/92/411535992.db2.gz RBYJGBBINFWOAA-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)C1CCC(F)(F)CC1 ZINC000655847948 411535605 /nfs/dbraw/zinc/53/56/05/411535605.db2.gz ZWUXGBAFRFOAPV-JTQLQIEISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)C1CCC(F)(F)CC1 ZINC000655847949 411535715 /nfs/dbraw/zinc/53/57/15/411535715.db2.gz ZWUXGBAFRFOAPV-SNVBAGLBSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CCC1)[C@H]1CCCCO1 ZINC000655848411 411535686 /nfs/dbraw/zinc/53/56/86/411535686.db2.gz IWVGBTAVKYYBDS-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CCC1)[C@@H]1CCCCO1 ZINC000655848413 411535712 /nfs/dbraw/zinc/53/57/12/411535712.db2.gz IWVGBTAVKYYBDS-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CCC1)[C@@H]1CCCCO1 ZINC000655848414 411535761 /nfs/dbraw/zinc/53/57/61/411535761.db2.gz IWVGBTAVKYYBDS-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CCC1)[C@H]1CCCCO1 ZINC000655848416 411535798 /nfs/dbraw/zinc/53/57/98/411535798.db2.gz IWVGBTAVKYYBDS-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCCO1 ZINC000655848655 411537158 /nfs/dbraw/zinc/53/71/58/411537158.db2.gz JPDSYAXZFLDLRM-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCCCO1 ZINC000655848657 411536730 /nfs/dbraw/zinc/53/67/30/411536730.db2.gz JPDSYAXZFLDLRM-CWRNSKLLSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)[C@@H]1CCCCO1 ZINC000655848659 411536894 /nfs/dbraw/zinc/53/68/94/411536894.db2.gz JPDSYAXZFLDLRM-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)[C@H]1CCCCO1 ZINC000655848660 411536522 /nfs/dbraw/zinc/53/65/22/411536522.db2.gz JPDSYAXZFLDLRM-VNQPRFMTSA-N 1 0 247.382 3.685 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000655849673 411537928 /nfs/dbraw/zinc/53/79/28/411537928.db2.gz PIHYVLSIDHPPQG-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000655849675 411538034 /nfs/dbraw/zinc/53/80/34/411538034.db2.gz PIHYVLSIDHPPQG-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000655849677 411537687 /nfs/dbraw/zinc/53/76/87/411537687.db2.gz PIHYVLSIDHPPQG-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000655849678 411538092 /nfs/dbraw/zinc/53/80/92/411538092.db2.gz PIHYVLSIDHPPQG-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000655849883 411537326 /nfs/dbraw/zinc/53/73/26/411537326.db2.gz QJSZFYCEISXROW-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000655849884 411536836 /nfs/dbraw/zinc/53/68/36/411536836.db2.gz QJSZFYCEISXROW-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000655849885 411537014 /nfs/dbraw/zinc/53/70/14/411537014.db2.gz QJSZFYCEISXROW-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000655849886 411536462 /nfs/dbraw/zinc/53/64/62/411536462.db2.gz QJSZFYCEISXROW-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CCCCO1 ZINC000655850567 411536805 /nfs/dbraw/zinc/53/68/05/411536805.db2.gz XHSIWLZZEBXTQV-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CCCCO1 ZINC000655850568 411536980 /nfs/dbraw/zinc/53/69/80/411536980.db2.gz XHSIWLZZEBXTQV-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCC1)[C@@H]1CCCCO1 ZINC000655850569 411536772 /nfs/dbraw/zinc/53/67/72/411536772.db2.gz XHSIWLZZEBXTQV-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCCC1)[C@H]1CCCCO1 ZINC000655850570 411536892 /nfs/dbraw/zinc/53/68/92/411536892.db2.gz XHSIWLZZEBXTQV-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1noc2ccccc12 ZINC000655854796 411538383 /nfs/dbraw/zinc/53/83/83/411538383.db2.gz ZPEKFUSUFFKEJN-GFCCVEGCSA-N 1 0 246.354 3.886 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1noc2ccccc12 ZINC000655854797 411537869 /nfs/dbraw/zinc/53/78/69/411537869.db2.gz ZPEKFUSUFFKEJN-LBPRGKRZSA-N 1 0 246.354 3.886 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265173 411220302 /nfs/dbraw/zinc/22/03/02/411220302.db2.gz AXEIQJASXYMPOQ-NEPJUHHUSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265174 411220459 /nfs/dbraw/zinc/22/04/59/411220459.db2.gz AXEIQJASXYMPOQ-NWDGAFQWSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265175 411220629 /nfs/dbraw/zinc/22/06/29/411220629.db2.gz AXEIQJASXYMPOQ-RYUDHWBXSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265176 411220404 /nfs/dbraw/zinc/22/04/04/411220404.db2.gz AXEIQJASXYMPOQ-VXGBXAGGSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC12C[NH+](CCCC1CCCCC1)C2 ZINC000656265294 411220185 /nfs/dbraw/zinc/22/01/85/411220185.db2.gz HNQMRNMCXUPKNN-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CC1(C)CCC(C[NH+]2CC3(CC3(F)F)C2)CC1 ZINC000656265756 411221909 /nfs/dbraw/zinc/22/19/09/411221909.db2.gz HDEASVOPNAAHRK-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC12C[NH+](CCC1CCCCCC1)C2 ZINC000656265763 411221084 /nfs/dbraw/zinc/22/10/84/411221084.db2.gz ZLYFWUSUFFIWJV-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CC1(C)CCC[C@@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265924 411221202 /nfs/dbraw/zinc/22/12/02/411221202.db2.gz OHBOQOWXKXHNSO-LLVKDONJSA-N 1 0 243.341 3.544 20 0 BHADRO CC1(C)CCC[C@H](C[NH+]2CC3(CC3(F)F)C2)C1 ZINC000656265925 411221159 /nfs/dbraw/zinc/22/11/59/411221159.db2.gz OHBOQOWXKXHNSO-NSHDSACASA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1F ZINC000656266921 411221503 /nfs/dbraw/zinc/22/15/03/411221503.db2.gz LKFSEWSWIYCFTL-JTNHKYCSSA-N 1 0 221.319 3.522 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1F ZINC000656266922 411221311 /nfs/dbraw/zinc/22/13/11/411221311.db2.gz LKFSEWSWIYCFTL-UHIISALHSA-N 1 0 221.319 3.522 20 0 BHADRO C[C@@H](CC[NH2+]C1(C)CC=CC1)c1ccccc1 ZINC000656267283 411221429 /nfs/dbraw/zinc/22/14/29/411221429.db2.gz CNCQGAFOFVUMSZ-AWEZNQCLSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](CC[NH2+]C1(C)CC=CC1)c1ccccc1 ZINC000656267287 411221974 /nfs/dbraw/zinc/22/19/74/411221974.db2.gz CNCQGAFOFVUMSZ-CQSZACIVSA-N 1 0 229.367 3.879 20 0 BHADRO C[C@H](C[NH2+]C1(C)CC=CC1)Cc1ccccc1 ZINC000656267530 411222724 /nfs/dbraw/zinc/22/27/24/411222724.db2.gz GBKOPDVCHPITDM-AWEZNQCLSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CC=CC1)Cc1ccccc1 ZINC000656267531 411222394 /nfs/dbraw/zinc/22/23/94/411222394.db2.gz GBKOPDVCHPITDM-CQSZACIVSA-N 1 0 229.367 3.564 20 0 BHADRO CC1([NH2+]CCCCOc2ccccc2)CC=CC1 ZINC000656267888 411222811 /nfs/dbraw/zinc/22/28/11/411222811.db2.gz MHMKETXVSAKXRM-UHFFFAOYSA-N 1 0 245.366 3.544 20 0 BHADRO CC1([NH2+]CCc2ccc(Cl)cc2)CC=CC1 ZINC000656267906 411222855 /nfs/dbraw/zinc/22/28/55/411222855.db2.gz MYZPUJGLJCVLMQ-UHFFFAOYSA-N 1 0 235.758 3.581 20 0 BHADRO CC1([NH2+]CCc2cccc(Cl)c2)CC=CC1 ZINC000656268027 411222900 /nfs/dbraw/zinc/22/29/00/411222900.db2.gz UAZXRGLXTIBXOD-UHFFFAOYSA-N 1 0 235.758 3.581 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]C1(C)CC=CC1 ZINC000656268072 411222464 /nfs/dbraw/zinc/22/24/64/411222464.db2.gz WQLQRYHMVLAOGD-CYBMUJFWSA-N 1 0 247.357 3.845 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C1(C)CC=CC1 ZINC000656268073 411222509 /nfs/dbraw/zinc/22/25/09/411222509.db2.gz WQLQRYHMVLAOGD-ZDUSSCGKSA-N 1 0 247.357 3.845 20 0 BHADRO C[C@H](C[NH2+]C1(C)CC=CC1)c1ccc(F)cc1 ZINC000656268090 411222670 /nfs/dbraw/zinc/22/26/70/411222670.db2.gz WZKKOUOSXUWLHL-GFCCVEGCSA-N 1 0 233.330 3.628 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CC=CC1)c1ccc(F)cc1 ZINC000656268091 411222735 /nfs/dbraw/zinc/22/27/35/411222735.db2.gz WZKKOUOSXUWLHL-LBPRGKRZSA-N 1 0 233.330 3.628 20 0 BHADRO COc1c(C)cccc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000656268472 411222518 /nfs/dbraw/zinc/22/25/18/411222518.db2.gz DBHQMYRLEBENHW-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1c(C)cccc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000656268473 411222398 /nfs/dbraw/zinc/22/23/98/411222398.db2.gz DBHQMYRLEBENHW-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CCC[N@H+](Cc1ccc2cnccc2c1)C(C)C ZINC000656268538 411222514 /nfs/dbraw/zinc/22/25/14/411222514.db2.gz CKOMGAUESLDWMC-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[N@H+](Cc1cccc2cnccc21)C(C)C ZINC000656269172 488073871 /nfs/dbraw/zinc/07/38/71/488073871.db2.gz LMPANOIAFGFKAH-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO Cc1cnc(CC[NH2+]C[C@H](C)CC(C)C)c(C)c1 ZINC000656269212 488073609 /nfs/dbraw/zinc/07/36/09/488073609.db2.gz MPLWEWOZIHDAHY-CYBMUJFWSA-N 1 0 248.414 3.513 20 0 BHADRO Cc1cnc(CC[NH2+]C[C@@H](C)CC(C)C)c(C)c1 ZINC000656269214 488073908 /nfs/dbraw/zinc/07/39/08/488073908.db2.gz MPLWEWOZIHDAHY-ZDUSSCGKSA-N 1 0 248.414 3.513 20 0 BHADRO CCC[N@H+](C[C@@H]1CCOc2ccccc21)C(C)C ZINC000656269476 488073453 /nfs/dbraw/zinc/07/34/53/488073453.db2.gz PZRXBHBWZFYOEZ-AWEZNQCLSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[N@H+](C[C@H]1CCOc2ccccc21)C(C)C ZINC000656269477 488073489 /nfs/dbraw/zinc/07/34/89/488073489.db2.gz PZRXBHBWZFYOEZ-CQSZACIVSA-N 1 0 247.382 3.673 20 0 BHADRO CCC[N@H+](Cc1nccc2ccccc21)C(C)C ZINC000656270325 411220286 /nfs/dbraw/zinc/22/02/86/411220286.db2.gz ZLJQUBIJVKNTLE-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[N@H+](Cc1cc2ccccc2[nH]1)C(C)C ZINC000656270345 411220508 /nfs/dbraw/zinc/22/05/08/411220508.db2.gz ZYMDOTUFFMEMBC-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000656274837 411225100 /nfs/dbraw/zinc/22/51/00/411225100.db2.gz NXQVVRAYPWAPCU-AWEZNQCLSA-N 1 0 248.414 3.819 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)Cc1ccccn1 ZINC000656274838 411225248 /nfs/dbraw/zinc/22/52/48/411225248.db2.gz NXQVVRAYPWAPCU-CQSZACIVSA-N 1 0 248.414 3.819 20 0 BHADRO C[C@@H](Cc1ccccn1)[NH2+]CCC1CCCCC1 ZINC000656274900 411225095 /nfs/dbraw/zinc/22/50/95/411225095.db2.gz OVBPDNANEMYGOW-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](Cc1ccccn1)[NH2+]CCC1CCCCC1 ZINC000656274901 411224790 /nfs/dbraw/zinc/22/47/90/411224790.db2.gz OVBPDNANEMYGOW-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1nocc1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000656277746 411227483 /nfs/dbraw/zinc/22/74/83/411227483.db2.gz CPUMIJGWGIOTPI-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nocc1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000656277747 411227978 /nfs/dbraw/zinc/22/79/78/411227978.db2.gz CPUMIJGWGIOTPI-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000656278759 411229218 /nfs/dbraw/zinc/22/92/18/411229218.db2.gz JGVGBEJWVWJUBC-CABCVRRESA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000656278761 411229122 /nfs/dbraw/zinc/22/91/22/411229122.db2.gz JGVGBEJWVWJUBC-GJZGRUSLSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000656278763 411228535 /nfs/dbraw/zinc/22/85/35/411228535.db2.gz JGVGBEJWVWJUBC-HUUCEWRRSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000656278765 411229089 /nfs/dbraw/zinc/22/90/89/411229089.db2.gz JGVGBEJWVWJUBC-LSDHHAIUSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000656399641 411244238 /nfs/dbraw/zinc/24/42/38/411244238.db2.gz HRNJGIJESASRPL-GXTWGEPZSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000656399642 411244106 /nfs/dbraw/zinc/24/41/06/411244106.db2.gz HRNJGIJESASRPL-JSGCOSHPSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000656399643 411244186 /nfs/dbraw/zinc/24/41/86/411244186.db2.gz HRNJGIJESASRPL-OCCSQVGLSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000656399644 411244412 /nfs/dbraw/zinc/24/44/12/411244412.db2.gz HRNJGIJESASRPL-TZMCWYRMSA-N 1 0 233.399 3.901 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)[C@H]1CC1(F)F ZINC000656399660 411244775 /nfs/dbraw/zinc/24/47/75/411244775.db2.gz JWRRWJPWDZPARD-DMDPSCGWSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000656399661 411244710 /nfs/dbraw/zinc/24/47/10/411244710.db2.gz JWRRWJPWDZPARD-GMXVVIOVSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000656399662 411244269 /nfs/dbraw/zinc/24/42/69/411244269.db2.gz JWRRWJPWDZPARD-GVXVVHGQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)[C@@H]1CC1(F)F ZINC000656399663 411244242 /nfs/dbraw/zinc/24/42/42/411244242.db2.gz JWRRWJPWDZPARD-LOWVWBTDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000656399664 411244127 /nfs/dbraw/zinc/24/41/27/411244127.db2.gz JWRRWJPWDZPARD-MDZLAQPJSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000656399665 411243926 /nfs/dbraw/zinc/24/39/26/411243926.db2.gz JWRRWJPWDZPARD-NQBHXWOUSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000656399666 411244374 /nfs/dbraw/zinc/24/43/74/411244374.db2.gz JWRRWJPWDZPARD-NTZNESFSSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000656399667 411244217 /nfs/dbraw/zinc/24/42/17/411244217.db2.gz JWRRWJPWDZPARD-WZRBSPASSA-N 1 0 245.357 3.979 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000656399765 411244005 /nfs/dbraw/zinc/24/40/05/411244005.db2.gz SSEYAUVWLDHSOF-DZGCQCFKSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000656399766 411244193 /nfs/dbraw/zinc/24/41/93/411244193.db2.gz SSEYAUVWLDHSOF-HIFRSBDPSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000656399767 411244493 /nfs/dbraw/zinc/24/44/93/411244493.db2.gz SSEYAUVWLDHSOF-UKRRQHHQSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000656399768 411244731 /nfs/dbraw/zinc/24/47/31/411244731.db2.gz SSEYAUVWLDHSOF-ZFWWWQNUSA-N 1 0 233.399 3.901 20 0 BHADRO Fc1ccc(C2([NH2+]CCC3CCC3)CC2)cc1 ZINC000656399786 411244097 /nfs/dbraw/zinc/24/40/97/411244097.db2.gz VFUCILONAPMSQE-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO C([NH2+]C1(C2CCC2)CC1)C1CCCCCC1 ZINC000656399818 411243862 /nfs/dbraw/zinc/24/38/62/411243862.db2.gz YTCDROMFFRYJLV-UHFFFAOYSA-N 1 0 221.388 3.879 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000656431888 411249718 /nfs/dbraw/zinc/24/97/18/411249718.db2.gz DMPIHFNMIMMYDV-CYBMUJFWSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CCC(C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000656431889 411249884 /nfs/dbraw/zinc/24/98/84/411249884.db2.gz DMPIHFNMIMMYDV-ZDUSSCGKSA-N 1 0 243.341 3.686 20 0 BHADRO CC(C)[N@H+](CC1CC1)CC1CCC(F)(F)CC1 ZINC000656461288 411270261 /nfs/dbraw/zinc/27/02/61/411270261.db2.gz HUYYZZALPROIKQ-UHFFFAOYSA-N 1 0 245.357 3.932 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000656465520 411271467 /nfs/dbraw/zinc/27/14/67/411271467.db2.gz RCAFVVJWQNJXCG-LLVKDONJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000656465521 411271684 /nfs/dbraw/zinc/27/16/84/411271684.db2.gz RCAFVVJWQNJXCG-NSHDSACASA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1F ZINC000656468843 411280910 /nfs/dbraw/zinc/28/09/10/411280910.db2.gz GMYHGQODLPWDPH-LLVKDONJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1F ZINC000656468844 411280870 /nfs/dbraw/zinc/28/08/70/411280870.db2.gz GMYHGQODLPWDPH-NSHDSACASA-N 1 0 233.330 3.809 20 0 BHADRO FC1(F)CCC(C[NH+]2CCC3(CC3)CC2)CC1 ZINC000656480589 411281724 /nfs/dbraw/zinc/28/17/24/411281724.db2.gz AQEZHIOOWKISFS-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000656499574 411286393 /nfs/dbraw/zinc/28/63/93/411286393.db2.gz UBTGZNZCXCKXMN-GOEBONIOSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000656499575 411286861 /nfs/dbraw/zinc/28/68/61/411286861.db2.gz UBTGZNZCXCKXMN-ZBFHGGJFSA-N 1 0 241.378 3.712 20 0 BHADRO CC(C)C([NH2+]C1CC2(CCC2)C1)C(C)C ZINC000656507372 411288019 /nfs/dbraw/zinc/28/80/19/411288019.db2.gz SUBULBHHLNXZKB-UHFFFAOYSA-N 1 0 209.377 3.589 20 0 BHADRO CC1([NH2+]C2CC(C)(c3ccccc3)C2)CCC1 ZINC000656529903 411290548 /nfs/dbraw/zinc/29/05/48/411290548.db2.gz CIOAQENAGDQUDO-UHFFFAOYSA-N 1 0 229.367 3.639 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccsc1 ZINC000656599219 411306006 /nfs/dbraw/zinc/30/60/06/411306006.db2.gz GZGBIYKJNSQBFV-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccsc1 ZINC000656599221 411306160 /nfs/dbraw/zinc/30/61/60/411306160.db2.gz GZGBIYKJNSQBFV-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH3+])c1ccc(OCCCC2CCC2)cc1 ZINC000656600526 411306960 /nfs/dbraw/zinc/30/69/60/411306960.db2.gz DOWODGQKKLPDJB-GFCCVEGCSA-N 1 0 233.355 3.665 20 0 BHADRO C[C@H]([NH3+])c1ccc(OCCCC2CCC2)cc1 ZINC000656600527 411306969 /nfs/dbraw/zinc/30/69/69/411306969.db2.gz DOWODGQKKLPDJB-LBPRGKRZSA-N 1 0 233.355 3.665 20 0 BHADRO c1c2ccccc2[nH]c1C[NH+]1CC2(C1)CCCC2 ZINC000656622913 411311836 /nfs/dbraw/zinc/31/18/36/411311836.db2.gz GYTYJBJHCCNPSX-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccccc1 ZINC000656675877 411321942 /nfs/dbraw/zinc/32/19/42/411321942.db2.gz KIILWVNIDUUUDY-AVVWSFFYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccccc1 ZINC000656675878 411321385 /nfs/dbraw/zinc/32/13/85/411321385.db2.gz KIILWVNIDUUUDY-BCLQGDPASA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)c1ccccn1 ZINC000656676341 411321808 /nfs/dbraw/zinc/32/18/08/411321808.db2.gz NUVFQAKQFHHYMX-KBPBESRZSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)c1ccccn1 ZINC000656676342 411321778 /nfs/dbraw/zinc/32/17/78/411321778.db2.gz NUVFQAKQFHHYMX-KGLIPLIRSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccccc1 ZINC000656676343 411321848 /nfs/dbraw/zinc/32/18/48/411321848.db2.gz NUVFQAKQFHHYMX-UONOGXRCSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccccc1)c1ccccn1 ZINC000656676345 411321664 /nfs/dbraw/zinc/32/16/64/411321664.db2.gz NUVFQAKQFHHYMX-ZIAGYGMSSA-N 1 0 240.350 3.536 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000656684152 411327370 /nfs/dbraw/zinc/32/73/70/411327370.db2.gz BCGXBRVIMKTSJU-GFCCVEGCSA-N 1 0 223.335 3.784 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000656684161 411327464 /nfs/dbraw/zinc/32/74/64/411327464.db2.gz BCGXBRVIMKTSJU-LBPRGKRZSA-N 1 0 223.335 3.784 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1F ZINC000656684226 411326342 /nfs/dbraw/zinc/32/63/42/411326342.db2.gz BSRMNSSNABDCFJ-SECBINFHSA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1F ZINC000656684227 411326337 /nfs/dbraw/zinc/32/63/37/411326337.db2.gz BSRMNSSNABDCFJ-VIFPVBQESA-N 1 0 245.288 3.754 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)c1ccccc1 ZINC000656684892 411327768 /nfs/dbraw/zinc/32/77/68/411327768.db2.gz HYIJAGFFIGPHHN-CYBMUJFWSA-N 1 0 223.335 3.866 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)c1ccccc1 ZINC000656684893 411327913 /nfs/dbraw/zinc/32/79/13/411327913.db2.gz HYIJAGFFIGPHHN-ZDUSSCGKSA-N 1 0 223.335 3.866 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cccc(F)c1 ZINC000656685006 411328124 /nfs/dbraw/zinc/32/81/24/411328124.db2.gz IEZOEONCQLZKRS-JTQLQIEISA-N 1 0 227.298 3.615 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(F)c1 ZINC000656685008 411327858 /nfs/dbraw/zinc/32/78/58/411327858.db2.gz IEZOEONCQLZKRS-SNVBAGLBSA-N 1 0 227.298 3.615 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000656685125 411328245 /nfs/dbraw/zinc/32/82/45/411328245.db2.gz KNPORRURTSMAJL-CYBMUJFWSA-N 1 0 239.309 3.541 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000656685126 411328201 /nfs/dbraw/zinc/32/82/01/411328201.db2.gz KNPORRURTSMAJL-ZDUSSCGKSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1 ZINC000656685141 411328368 /nfs/dbraw/zinc/32/83/68/411328368.db2.gz KZEKEGHTKSHLOF-JTQLQIEISA-N 1 0 227.298 3.615 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1 ZINC000656685142 411328370 /nfs/dbraw/zinc/32/83/70/411328370.db2.gz KZEKEGHTKSHLOF-SNVBAGLBSA-N 1 0 227.298 3.615 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000656685171 411328199 /nfs/dbraw/zinc/32/81/99/411328199.db2.gz LODPLACPAAYKBG-CYBMUJFWSA-N 1 0 239.309 3.541 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCc2c1cccc2F ZINC000656685172 411328093 /nfs/dbraw/zinc/32/80/93/411328093.db2.gz LODPLACPAAYKBG-ZDUSSCGKSA-N 1 0 239.309 3.541 20 0 BHADRO C[C@@H]([NH2+]CCc1ccoc1)c1ccccc1Cl ZINC000656685183 411328273 /nfs/dbraw/zinc/32/82/73/411328273.db2.gz LXYUTNRQCDJECM-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CCc1ccoc1)c1ccccc1Cl ZINC000656685184 411327808 /nfs/dbraw/zinc/32/78/08/411327808.db2.gz LXYUTNRQCDJECM-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H](CCc1ccccc1)[NH2+]CCC(C)(C)F ZINC000656685292 411328236 /nfs/dbraw/zinc/32/82/36/411328236.db2.gz OKLZKVWDXBXZSA-CYBMUJFWSA-N 1 0 237.362 3.736 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH2+]CCC(C)(C)F ZINC000656685293 411328257 /nfs/dbraw/zinc/32/82/57/411328257.db2.gz OKLZKVWDXBXZSA-ZDUSSCGKSA-N 1 0 237.362 3.736 20 0 BHADRO C[C@@H]([NH2+]CCc1ccoc1)c1cccc(Cl)c1 ZINC000656685356 411328336 /nfs/dbraw/zinc/32/83/36/411328336.db2.gz OYBJLLFVENYOAB-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CCc1ccoc1)c1cccc(Cl)c1 ZINC000656685357 411327865 /nfs/dbraw/zinc/32/78/65/411327865.db2.gz OYBJLLFVENYOAB-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1 ZINC000656685456 411328140 /nfs/dbraw/zinc/32/81/40/411328140.db2.gz RBCHVZAEIXESPD-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1 ZINC000656685457 411328176 /nfs/dbraw/zinc/32/81/76/411328176.db2.gz RBCHVZAEIXESPD-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000656685490 411327755 /nfs/dbraw/zinc/32/77/55/411327755.db2.gz SBTFHBPHQDJVKG-HNNXBMFYSA-N 1 0 229.323 3.563 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000656685491 411327743 /nfs/dbraw/zinc/32/77/43/411327743.db2.gz SBTFHBPHQDJVKG-OAHLLOKOSA-N 1 0 229.323 3.563 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cc(F)ccc1F ZINC000656685500 411328015 /nfs/dbraw/zinc/32/80/15/411328015.db2.gz SJZIKPIGWIPYFH-SECBINFHSA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cc(F)ccc1F ZINC000656685501 411327834 /nfs/dbraw/zinc/32/78/34/411327834.db2.gz SJZIKPIGWIPYFH-VIFPVBQESA-N 1 0 245.288 3.754 20 0 BHADRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(Cl)cc1 ZINC000656685558 411327749 /nfs/dbraw/zinc/32/77/49/411327749.db2.gz UHFMVCGWTHKKBY-LLVKDONJSA-N 1 0 249.741 3.826 20 0 BHADRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(Cl)cc1 ZINC000656685559 411328011 /nfs/dbraw/zinc/32/80/11/411328011.db2.gz UHFMVCGWTHKKBY-NSHDSACASA-N 1 0 249.741 3.826 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000656685570 411328211 /nfs/dbraw/zinc/32/82/11/411328211.db2.gz UNPRZJSYSGHDOL-GFCCVEGCSA-N 1 0 223.335 3.784 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000656685571 411327803 /nfs/dbraw/zinc/32/78/03/411327803.db2.gz UNPRZJSYSGHDOL-LBPRGKRZSA-N 1 0 223.335 3.784 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(F)c(F)c1 ZINC000656685590 411328032 /nfs/dbraw/zinc/32/80/32/411328032.db2.gz UXBAKXZMLYUTRY-SECBINFHSA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(F)c(F)c1 ZINC000656685591 411328295 /nfs/dbraw/zinc/32/82/95/411328295.db2.gz UXBAKXZMLYUTRY-VIFPVBQESA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccccc1F ZINC000656685644 411328088 /nfs/dbraw/zinc/32/80/88/411328088.db2.gz WYSOMOHNEMFKLK-JTQLQIEISA-N 1 0 227.298 3.615 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccccc1F ZINC000656685645 411328284 /nfs/dbraw/zinc/32/82/84/411328284.db2.gz WYSOMOHNEMFKLK-SNVBAGLBSA-N 1 0 227.298 3.615 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000656685718 411327928 /nfs/dbraw/zinc/32/79/28/411327928.db2.gz YFXSXKQGJPNRIH-AWEZNQCLSA-N 1 0 235.346 3.792 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000656685719 411328253 /nfs/dbraw/zinc/32/82/53/411328253.db2.gz YFXSXKQGJPNRIH-CQSZACIVSA-N 1 0 235.346 3.792 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000656686576 411329222 /nfs/dbraw/zinc/32/92/22/411329222.db2.gz HTXBMCKASIKUHJ-AAEUAGOBSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000656686577 411328947 /nfs/dbraw/zinc/32/89/47/411328947.db2.gz HTXBMCKASIKUHJ-DGCLKSJQSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000656686840 411329017 /nfs/dbraw/zinc/32/90/17/411329017.db2.gz HTXBMCKASIKUHJ-WCQYABFASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000656686841 411329011 /nfs/dbraw/zinc/32/90/11/411329011.db2.gz HTXBMCKASIKUHJ-YPMHNXCESA-N 1 0 239.309 3.691 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1F ZINC000656687005 411328735 /nfs/dbraw/zinc/32/87/35/411328735.db2.gz IWOOPSZFPBHKSA-BXKDBHETSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1F ZINC000656687006 411329106 /nfs/dbraw/zinc/32/91/06/411329106.db2.gz IWOOPSZFPBHKSA-CABZTGNLSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1F ZINC000656687007 411328900 /nfs/dbraw/zinc/32/89/00/411328900.db2.gz IWOOPSZFPBHKSA-JOYOIKCWSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1F ZINC000656687008 411329174 /nfs/dbraw/zinc/32/91/74/411329174.db2.gz IWOOPSZFPBHKSA-SKDRFNHKSA-N 1 0 243.272 3.522 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccccc1 ZINC000656687268 411329128 /nfs/dbraw/zinc/32/91/28/411329128.db2.gz JYCATEAHLSUISP-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)c1ccccc1 ZINC000656687269 411329381 /nfs/dbraw/zinc/32/93/81/411329381.db2.gz JYCATEAHLSUISP-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)c1ccccc1 ZINC000656687270 411329385 /nfs/dbraw/zinc/32/93/85/411329385.db2.gz JYCATEAHLSUISP-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccccc1 ZINC000656687271 411329200 /nfs/dbraw/zinc/32/92/00/411329200.db2.gz JYCATEAHLSUISP-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000656687311 411329335 /nfs/dbraw/zinc/32/93/35/411329335.db2.gz KGPXEGKXCSRQTG-ILXRZTDVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000656687313 411329133 /nfs/dbraw/zinc/32/91/33/411329133.db2.gz KGPXEGKXCSRQTG-KKUMJFAQSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000656687314 411329242 /nfs/dbraw/zinc/32/92/42/411329242.db2.gz KGPXEGKXCSRQTG-QLFBSQMISA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000656687315 411328684 /nfs/dbraw/zinc/32/86/84/411328684.db2.gz KGPXEGKXCSRQTG-SOUVJXGZSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000656687802 411328833 /nfs/dbraw/zinc/32/88/33/411328833.db2.gz LYKVAGSSSWBRMJ-AAEUAGOBSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000656687804 411329500 /nfs/dbraw/zinc/32/95/00/411329500.db2.gz LYKVAGSSSWBRMJ-DGCLKSJQSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000656687806 411329008 /nfs/dbraw/zinc/32/90/08/411329008.db2.gz LYKVAGSSSWBRMJ-WCQYABFASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000656687809 411329000 /nfs/dbraw/zinc/32/90/00/411329000.db2.gz LYKVAGSSSWBRMJ-YPMHNXCESA-N 1 0 239.309 3.691 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000656687854 411328817 /nfs/dbraw/zinc/32/88/17/411328817.db2.gz MMXSHDUSMGBIML-CHWSQXEVSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1 ZINC000656687855 411329140 /nfs/dbraw/zinc/32/91/40/411329140.db2.gz MMXSHDUSMGBIML-OLZOCXBDSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000656687856 411329098 /nfs/dbraw/zinc/32/90/98/411329098.db2.gz MMXSHDUSMGBIML-QWHCGFSZSA-N 1 0 239.309 3.773 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1 ZINC000656687857 411328820 /nfs/dbraw/zinc/32/88/20/411328820.db2.gz MMXSHDUSMGBIML-STQMWFEESA-N 1 0 239.309 3.773 20 0 BHADRO CC(C)C[C@H](C)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688429 411328751 /nfs/dbraw/zinc/32/87/51/411328751.db2.gz QGLOOEXLUXGYFC-JTQLQIEISA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C[C@@H](C)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688430 411329209 /nfs/dbraw/zinc/32/92/09/411329209.db2.gz QGLOOEXLUXGYFC-SNVBAGLBSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000656688702 411329135 /nfs/dbraw/zinc/32/91/35/411329135.db2.gz PFPNLAQDHUXZBQ-AAEUAGOBSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1 ZINC000656688703 411328802 /nfs/dbraw/zinc/32/88/02/411328802.db2.gz PFPNLAQDHUXZBQ-DGCLKSJQSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1 ZINC000656688704 411328878 /nfs/dbraw/zinc/32/88/78/411328878.db2.gz PFPNLAQDHUXZBQ-WCQYABFASA-N 1 0 239.309 3.773 20 0 BHADRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000656688705 411329367 /nfs/dbraw/zinc/32/93/67/411329367.db2.gz PFPNLAQDHUXZBQ-YPMHNXCESA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H](C[NH+]1CC(CC(F)(F)F)C1)C(C)(C)C ZINC000656688759 411328887 /nfs/dbraw/zinc/32/88/87/411328887.db2.gz SGAZRECNHOWXFF-SECBINFHSA-N 1 0 237.309 3.553 20 0 BHADRO C[C@@H](C[NH+]1CC(CC(F)(F)F)C1)C(C)(C)C ZINC000656688760 411328979 /nfs/dbraw/zinc/32/89/79/411328979.db2.gz SGAZRECNHOWXFF-VIFPVBQESA-N 1 0 237.309 3.553 20 0 BHADRO FC(F)(F)CC1C[NH+](CCC2CCCCC2)C1 ZINC000656688763 411329465 /nfs/dbraw/zinc/32/94/65/411329465.db2.gz SJPPDUDDMIVACT-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1 ZINC000656689333 411328687 /nfs/dbraw/zinc/32/86/87/411328687.db2.gz RFHSZDCSMGJJDA-BXKDBHETSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1 ZINC000656689534 411328625 /nfs/dbraw/zinc/32/86/25/411328625.db2.gz RFHSZDCSMGJJDA-CABZTGNLSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1 ZINC000656689535 411329478 /nfs/dbraw/zinc/32/94/78/411329478.db2.gz RFHSZDCSMGJJDA-JOYOIKCWSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1 ZINC000656689536 411329359 /nfs/dbraw/zinc/32/93/59/411329359.db2.gz RFHSZDCSMGJJDA-SKDRFNHKSA-N 1 0 243.272 3.522 20 0 BHADRO FC(F)C1C[NH+](CCCC2CCCCC2)C1 ZINC000656689853 411330086 /nfs/dbraw/zinc/33/00/86/411330086.db2.gz BGSIZJQWGBMVSP-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)c1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000656690221 411330653 /nfs/dbraw/zinc/33/06/53/411330653.db2.gz GAGGCDOHRWUPFA-UHFFFAOYSA-N 1 0 239.309 3.507 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH+]1CC(C(F)F)C1 ZINC000656691076 411330786 /nfs/dbraw/zinc/33/07/86/411330786.db2.gz VNSRZWAYVKJAKO-GFCCVEGCSA-N 1 0 245.357 3.956 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH+]1CC(C(F)F)C1 ZINC000656691077 411329826 /nfs/dbraw/zinc/32/98/26/411329826.db2.gz VNSRZWAYVKJAKO-LBPRGKRZSA-N 1 0 245.357 3.956 20 0 BHADRO FC(F)C1C[NH+](CCC2CCCCCC2)C1 ZINC000656691571 411329843 /nfs/dbraw/zinc/32/98/43/411329843.db2.gz MZFUCJPDHBCDTL-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c1 ZINC000656691799 411331276 /nfs/dbraw/zinc/33/12/76/411331276.db2.gz XMQDMAJBQLPITM-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c1 ZINC000656691801 411331527 /nfs/dbraw/zinc/33/15/27/411331527.db2.gz XMQDMAJBQLPITM-IJEWVQPXSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c1 ZINC000656691802 411331869 /nfs/dbraw/zinc/33/18/69/411331869.db2.gz XMQDMAJBQLPITM-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1 ZINC000656691803 411331502 /nfs/dbraw/zinc/33/15/02/411331502.db2.gz XMQDMAJBQLPITM-YCPHGPKFSA-N 1 0 247.382 3.603 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691965 411332063 /nfs/dbraw/zinc/33/20/63/411332063.db2.gz ZDPSLVSKIWDYJI-BXKDBHETSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691967 411331193 /nfs/dbraw/zinc/33/11/93/411331193.db2.gz ZDPSLVSKIWDYJI-CABZTGNLSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691969 411331676 /nfs/dbraw/zinc/33/16/76/411331676.db2.gz ZDPSLVSKIWDYJI-JOYOIKCWSA-N 1 0 243.272 3.522 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691971 411331284 /nfs/dbraw/zinc/33/12/84/411331284.db2.gz ZDPSLVSKIWDYJI-SKDRFNHKSA-N 1 0 243.272 3.522 20 0 BHADRO CCCc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000656693616 411331522 /nfs/dbraw/zinc/33/15/22/411331522.db2.gz MRDAOYRISVHBSX-UHFFFAOYSA-N 1 0 247.357 3.573 20 0 BHADRO Cc1cc(C)c(C[NH+]2CC3(CC(F)C3)C2)cc1C ZINC000656694021 411332039 /nfs/dbraw/zinc/33/20/39/411332039.db2.gz XQQYYYSVULCQDF-UHFFFAOYSA-N 1 0 247.357 3.546 20 0 BHADRO CC(C)c1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000656694215 411333057 /nfs/dbraw/zinc/33/30/57/411333057.db2.gz MUNMXFCCFWDDLA-UHFFFAOYSA-N 1 0 247.357 3.744 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CC2(CC(F)C2)C1 ZINC000656694607 411333419 /nfs/dbraw/zinc/33/34/19/411333419.db2.gz XQHBYGDSSGYASR-NTUHNPAUSA-N 1 0 245.341 3.524 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CC2(CC(F)C2)C1 ZINC000656694608 411332911 /nfs/dbraw/zinc/33/29/11/411332911.db2.gz XQHBYGDSSGYASR-QPEQYQDCSA-N 1 0 245.341 3.524 20 0 BHADRO C[C@H](CC[NH+]1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695267 411332665 /nfs/dbraw/zinc/33/26/65/411332665.db2.gz DRBQPRPBFSJQDN-CYBMUJFWSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@@H](CC[NH+]1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695268 411332606 /nfs/dbraw/zinc/33/26/06/411332606.db2.gz DRBQPRPBFSJQDN-ZDUSSCGKSA-N 1 0 247.357 3.614 20 0 BHADRO CC[C@H](C[NH+]1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695593 411332720 /nfs/dbraw/zinc/33/27/20/411332720.db2.gz OJYJFUQUKRCBIX-CYBMUJFWSA-N 1 0 247.357 3.614 20 0 BHADRO CC[C@@H](C[NH+]1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695594 411332892 /nfs/dbraw/zinc/33/28/92/411332892.db2.gz OJYJFUQUKRCBIX-ZDUSSCGKSA-N 1 0 247.357 3.614 20 0 BHADRO CCCc1cccc(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000656695807 411332860 /nfs/dbraw/zinc/33/28/60/411332860.db2.gz SSLVSJNNOXQGTI-UHFFFAOYSA-N 1 0 247.357 3.573 20 0 BHADRO CCc1ccc(C)[nH+]c1NCc1cccs1 ZINC000656777988 411358881 /nfs/dbraw/zinc/35/88/81/411358881.db2.gz JRKJTDKLTZNLDR-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO CCc1ccc(C)[nH+]c1NCc1ccsc1 ZINC000656778455 411359050 /nfs/dbraw/zinc/35/90/50/411359050.db2.gz ZEEMAQIWNGHHML-UHFFFAOYSA-N 1 0 232.352 3.626 20 0 BHADRO Cc1cc[nH+]c(NCc2ccccc2)c1C1CC1 ZINC000656778852 411358033 /nfs/dbraw/zinc/35/80/33/411358033.db2.gz DESJULCYMALTGZ-UHFFFAOYSA-N 1 0 238.334 3.880 20 0 BHADRO Cc1cc[nH+]c(NCc2ccsc2)c1C1CC1 ZINC000656779218 411357999 /nfs/dbraw/zinc/35/79/99/411357999.db2.gz JGODCCUMIGUCPO-UHFFFAOYSA-N 1 0 244.363 3.941 20 0 BHADRO Cc1occc1CNc1[nH+]ccc(C)c1C1CC1 ZINC000656779276 411358387 /nfs/dbraw/zinc/35/83/87/411358387.db2.gz KFPXIOIYWZRBBJ-UHFFFAOYSA-N 1 0 242.322 3.781 20 0 BHADRO Cc1ccc(CNc2[nH+]ccc(C)c2C2CC2)o1 ZINC000656779308 411358065 /nfs/dbraw/zinc/35/80/65/411358065.db2.gz LVEIBDHNGDEIME-UHFFFAOYSA-N 1 0 242.322 3.781 20 0 BHADRO Cc1ccoc1CNc1[nH+]ccc(C)c1C1CC1 ZINC000656779309 411357800 /nfs/dbraw/zinc/35/78/00/411357800.db2.gz LWRCMGDACAVFJL-UHFFFAOYSA-N 1 0 242.322 3.781 20 0 BHADRO Cc1cc[nH+]c(NCc2cccs2)c1C1CC1 ZINC000656779912 411359042 /nfs/dbraw/zinc/35/90/42/411359042.db2.gz XAXYHEUQDKFNKR-UHFFFAOYSA-N 1 0 244.363 3.941 20 0 BHADRO CC(C)C1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000656784227 411361214 /nfs/dbraw/zinc/36/12/14/411361214.db2.gz AZGWKGWSNKOMEG-UHFFFAOYSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000656784232 411361836 /nfs/dbraw/zinc/36/18/36/411361836.db2.gz BDOMBJXUWGZOJH-DOMZBBRYSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000656784233 411361858 /nfs/dbraw/zinc/36/18/58/411361858.db2.gz BDOMBJXUWGZOJH-IUODEOHRSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000656784234 411361788 /nfs/dbraw/zinc/36/17/88/411361788.db2.gz BDOMBJXUWGZOJH-SWLSCSKDSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000656784235 411361840 /nfs/dbraw/zinc/36/18/40/411361840.db2.gz BDOMBJXUWGZOJH-WFASDCNBSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000656784291 411361919 /nfs/dbraw/zinc/36/19/19/411361919.db2.gz FAPKMUCTLJRMMI-CYBMUJFWSA-N 1 0 234.387 3.573 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000656784292 411360934 /nfs/dbraw/zinc/36/09/34/411360934.db2.gz FAPKMUCTLJRMMI-ZDUSSCGKSA-N 1 0 234.387 3.573 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000656785178 411357079 /nfs/dbraw/zinc/35/70/79/411357079.db2.gz LLVZZJOVBJYYQF-GDBMZVCRSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000656785183 411356033 /nfs/dbraw/zinc/35/60/33/411356033.db2.gz LLVZZJOVBJYYQF-GOEBONIOSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000656785185 411356845 /nfs/dbraw/zinc/35/68/45/411356845.db2.gz LLVZZJOVBJYYQF-HOCLYGCPSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000656785186 411355839 /nfs/dbraw/zinc/35/58/39/411355839.db2.gz LLVZZJOVBJYYQF-ZBFHGGJFSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000656785355 411363495 /nfs/dbraw/zinc/36/34/95/411363495.db2.gz NQGVKEVCBYCURN-UHFFFAOYSA-N 1 0 246.398 3.717 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000656785667 411364539 /nfs/dbraw/zinc/36/45/39/411364539.db2.gz PMOFBBZAYZZTIK-UHFFFAOYSA-N 1 0 246.398 3.717 20 0 BHADRO Nc1cccc(C[NH2+]CCCC2CCCCC2)c1 ZINC000656785842 411364157 /nfs/dbraw/zinc/36/41/57/411364157.db2.gz RIHHXLRFSQEQCP-UHFFFAOYSA-N 1 0 246.398 3.719 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]Cc1cccc(N)c1 ZINC000656786059 411364185 /nfs/dbraw/zinc/36/41/85/411364185.db2.gz UUPNNOPBZKTWAZ-CYBMUJFWSA-N 1 0 246.398 3.717 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]Cc1cccc(N)c1 ZINC000656786060 411364292 /nfs/dbraw/zinc/36/42/92/411364292.db2.gz UUPNNOPBZKTWAZ-ZDUSSCGKSA-N 1 0 246.398 3.717 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000656786104 411364114 /nfs/dbraw/zinc/36/41/14/411364114.db2.gz VPSYUFUOWIRJGD-DOMZBBRYSA-N 1 0 234.387 3.573 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000656786106 411365010 /nfs/dbraw/zinc/36/50/10/411365010.db2.gz VPSYUFUOWIRJGD-IUODEOHRSA-N 1 0 234.387 3.573 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(N)c1 ZINC000656786107 411365052 /nfs/dbraw/zinc/36/50/52/411365052.db2.gz VPSYUFUOWIRJGD-SWLSCSKDSA-N 1 0 234.387 3.573 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000656786109 411364649 /nfs/dbraw/zinc/36/46/49/411364649.db2.gz VPSYUFUOWIRJGD-WFASDCNBSA-N 1 0 234.387 3.573 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787601 411366653 /nfs/dbraw/zinc/36/66/53/411366653.db2.gz OTPFRHMRVDJIKI-AWEZNQCLSA-N 1 0 246.398 3.575 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787602 411366251 /nfs/dbraw/zinc/36/62/51/411366251.db2.gz OTPFRHMRVDJIKI-CQSZACIVSA-N 1 0 246.398 3.575 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787621 411365791 /nfs/dbraw/zinc/36/57/91/411365791.db2.gz POIGXJHIVQLGIH-KBPBESRZSA-N 1 0 246.398 3.575 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787622 411365472 /nfs/dbraw/zinc/36/54/72/411365472.db2.gz POIGXJHIVQLGIH-KGLIPLIRSA-N 1 0 246.398 3.575 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787623 411365875 /nfs/dbraw/zinc/36/58/75/411365875.db2.gz POIGXJHIVQLGIH-UONOGXRCSA-N 1 0 246.398 3.575 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(N)c2)C1 ZINC000656787624 411365370 /nfs/dbraw/zinc/36/53/70/411365370.db2.gz POIGXJHIVQLGIH-ZIAGYGMSSA-N 1 0 246.398 3.575 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC(C)(C)C1 ZINC000656787710 411366435 /nfs/dbraw/zinc/36/64/35/411366435.db2.gz SIDOFBJXQNSALR-DOMZBBRYSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC(C)(C)C1 ZINC000656787711 411366474 /nfs/dbraw/zinc/36/64/74/411366474.db2.gz SIDOFBJXQNSALR-IUODEOHRSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC(C)(C)C1 ZINC000656787712 411365790 /nfs/dbraw/zinc/36/57/90/411365790.db2.gz SIDOFBJXQNSALR-SWLSCSKDSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC(C)(C)C1 ZINC000656787713 411365397 /nfs/dbraw/zinc/36/53/97/411365397.db2.gz SIDOFBJXQNSALR-WFASDCNBSA-N 1 0 246.398 3.573 20 0 BHADRO CC1(C)CCC(C[NH2+]Cc2cccc(N)c2)CC1 ZINC000656787785 411367024 /nfs/dbraw/zinc/36/70/24/411367024.db2.gz VHFXEPBESBJHNX-UHFFFAOYSA-N 1 0 246.398 3.575 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000656791001 411371093 /nfs/dbraw/zinc/37/10/93/411371093.db2.gz AELXWZHMBVDTGK-GDBMZVCRSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000656791004 411369955 /nfs/dbraw/zinc/36/99/55/411369955.db2.gz AELXWZHMBVDTGK-GOEBONIOSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000656791005 411370567 /nfs/dbraw/zinc/37/05/67/411370567.db2.gz AELXWZHMBVDTGK-HOCLYGCPSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000656791008 411370321 /nfs/dbraw/zinc/37/03/21/411370321.db2.gz AELXWZHMBVDTGK-ZBFHGGJFSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000656792574 411372403 /nfs/dbraw/zinc/37/24/03/411372403.db2.gz ZYJKQOIEAQJNGL-INIZCTEOSA-N 1 0 246.398 3.815 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000656792575 411372099 /nfs/dbraw/zinc/37/20/99/411372099.db2.gz ZYJKQOIEAQJNGL-MRXNPFEDSA-N 1 0 246.398 3.815 20 0 BHADRO CCC1(C)C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000656807588 411374907 /nfs/dbraw/zinc/37/49/07/411374907.db2.gz ZHGUMKPXNQXKPO-UHFFFAOYSA-N 1 0 239.309 3.856 20 0 BHADRO CC(C)(C)C1C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000656834248 411377799 /nfs/dbraw/zinc/37/77/99/411377799.db2.gz XFIKHSJQSQBSRW-UHFFFAOYSA-N 1 0 242.366 3.646 20 0 BHADRO CC1(C)[C@@H](C[NH2+]CC2(F)CC2)[C@@H]1c1ccccc1 ZINC000656994230 411390396 /nfs/dbraw/zinc/39/03/96/411390396.db2.gz MDJKXKFXCRTONI-KBPBESRZSA-N 1 0 247.357 3.518 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000657161790 411413469 /nfs/dbraw/zinc/41/34/69/411413469.db2.gz GPIRCISREJFPCF-PKSQDBQZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000657161791 411413814 /nfs/dbraw/zinc/41/38/14/411413814.db2.gz GPIRCISREJFPCF-QFWMXSHPSA-N 1 0 245.357 3.979 20 0 BHADRO C[N@H+](Cc1cc2ccccc2[nH]1)C1CC(C)(C)C1 ZINC000657193451 411416935 /nfs/dbraw/zinc/41/69/35/411416935.db2.gz GSGCXVRTYJGPFF-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657231816 488107047 /nfs/dbraw/zinc/10/70/47/488107047.db2.gz WUPWKKDTBQQOMA-DHMWGJHJSA-N 1 0 249.423 3.847 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000657231817 488106792 /nfs/dbraw/zinc/10/67/92/488106792.db2.gz WUPWKKDTBQQOMA-PAPYEOQZSA-N 1 0 249.423 3.847 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657231818 488106944 /nfs/dbraw/zinc/10/69/44/488106944.db2.gz WUPWKKDTBQQOMA-UXOAXIEHSA-N 1 0 249.423 3.847 20 0 BHADRO Clc1cscc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657233435 411424057 /nfs/dbraw/zinc/42/40/57/411424057.db2.gz INJLBFOSIIKVCB-QRTLGDNMSA-N 1 0 241.787 3.680 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCC1 ZINC000657250300 411427678 /nfs/dbraw/zinc/42/76/78/411427678.db2.gz HTPODDJSRQSWJL-HTAVTVPLSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C(F)F)C1)C1CCC1 ZINC000657250302 411427627 /nfs/dbraw/zinc/42/76/27/411427627.db2.gz HTPODDJSRQSWJL-MCIGGMRASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@]1([NH2+]Cc2cc3ccccc3[nH]2)CC=CCC1 ZINC000657251122 411433946 /nfs/dbraw/zinc/43/39/46/411433946.db2.gz CCOYOLQIMWLNCZ-INIZCTEOSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2cc3ccccc3[nH]2)CC=CCC1 ZINC000657251123 411434302 /nfs/dbraw/zinc/43/43/02/411434302.db2.gz CCOYOLQIMWLNCZ-MRXNPFEDSA-N 1 0 240.350 3.756 20 0 BHADRO C[C@@]1([NH2+]Cc2cscc2Cl)CC=CCC1 ZINC000657251163 411433951 /nfs/dbraw/zinc/43/39/51/411433951.db2.gz MUIRWIMCQXHTIY-GFCCVEGCSA-N 1 0 241.787 3.990 20 0 BHADRO C[C@]1([NH2+]Cc2cscc2Cl)CC=CCC1 ZINC000657251164 411434128 /nfs/dbraw/zinc/43/41/28/411434128.db2.gz MUIRWIMCQXHTIY-LBPRGKRZSA-N 1 0 241.787 3.990 20 0 BHADRO Cc1[nH+]c2c(n1CCCC1CCC1)CCCC2 ZINC000657261577 411433862 /nfs/dbraw/zinc/43/38/62/411433862.db2.gz HYHUUZNJHPJLQV-UHFFFAOYSA-N 1 0 232.371 3.651 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C(F)F)C1)C1CCCC1 ZINC000657264005 411437653 /nfs/dbraw/zinc/43/76/53/411437653.db2.gz MXELHBNGVOWODF-BPCQOVAHSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCCC1 ZINC000657264006 411437208 /nfs/dbraw/zinc/43/72/08/411437208.db2.gz MXELHBNGVOWODF-WXRRBKDZSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657283254 411442011 /nfs/dbraw/zinc/44/20/11/411442011.db2.gz CLVJHMDOFBUUFI-GFCCVEGCSA-N 1 0 230.355 3.755 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657283256 411441742 /nfs/dbraw/zinc/44/17/42/411441742.db2.gz CLVJHMDOFBUUFI-LBPRGKRZSA-N 1 0 230.355 3.755 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657285184 411443496 /nfs/dbraw/zinc/44/34/96/411443496.db2.gz YGHNMYFHQNDQDB-GFCCVEGCSA-N 1 0 230.355 3.755 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657285185 411442992 /nfs/dbraw/zinc/44/29/92/411442992.db2.gz YGHNMYFHQNDQDB-LBPRGKRZSA-N 1 0 230.355 3.755 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657285223 411443211 /nfs/dbraw/zinc/44/32/11/411443211.db2.gz ZIYMNYRGEUBUIF-JTQLQIEISA-N 1 0 234.368 3.575 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657285224 411442900 /nfs/dbraw/zinc/44/29/00/411442900.db2.gz ZIYMNYRGEUBUIF-SNVBAGLBSA-N 1 0 234.368 3.575 20 0 BHADRO c1ccc(C[NH2+]C2CCC(C3CCC3)CC2)nc1 ZINC000657285375 411444626 /nfs/dbraw/zinc/44/46/26/411444626.db2.gz AVVCHPXCUCAPCI-UHFFFAOYSA-N 1 0 244.382 3.530 20 0 BHADRO c1cncc(C[NH2+]C2CCC(C3CCC3)CC2)c1 ZINC000657285704 411443928 /nfs/dbraw/zinc/44/39/28/411443928.db2.gz HGRNJCHVIMRYQL-UHFFFAOYSA-N 1 0 244.382 3.530 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]CCC(C)C)cc21 ZINC000657285774 411443995 /nfs/dbraw/zinc/44/39/95/411443995.db2.gz AWFLDVSHTYZYCL-UHFFFAOYSA-N 1 0 230.355 3.612 20 0 BHADRO CCC[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657286459 411445617 /nfs/dbraw/zinc/44/56/17/411445617.db2.gz XLZDAUPLRDMBNB-UHFFFAOYSA-N 1 0 246.379 3.618 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657286638 411445276 /nfs/dbraw/zinc/44/52/76/411445276.db2.gz QWFLLLGBEVEVOA-UHFFFAOYSA-N 1 0 230.355 3.755 20 0 BHADRO CCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657286724 411445482 /nfs/dbraw/zinc/44/54/82/411445482.db2.gz BRDRXDBRZZNISX-UHFFFAOYSA-N 1 0 234.368 3.576 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657286834 411445586 /nfs/dbraw/zinc/44/55/86/411445586.db2.gz TUSULDUECNNZGZ-UHFFFAOYSA-N 1 0 230.355 3.755 20 0 BHADRO CCC(CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657287033 411446433 /nfs/dbraw/zinc/44/64/33/411446433.db2.gz XGNJGMUQCQBRCN-UHFFFAOYSA-N 1 0 234.368 3.575 20 0 BHADRO Cc1ccc2cc(C[NH2+]CCC(C)C)[nH]c2c1 ZINC000657287041 411447039 /nfs/dbraw/zinc/44/70/39/411447039.db2.gz XIWKXGBKUSWDBB-UHFFFAOYSA-N 1 0 230.355 3.612 20 0 BHADRO Cc1ncsc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000657287710 411446877 /nfs/dbraw/zinc/44/68/77/411446877.db2.gz SRCSBCJCMONUKP-UHFFFAOYSA-N 1 0 246.379 3.617 20 0 BHADRO c1c2ccncc2sc1C[NH2+]C1CCCCC1 ZINC000657291539 411451535 /nfs/dbraw/zinc/45/15/35/411451535.db2.gz WZGBYBRUWDTKSH-UHFFFAOYSA-N 1 0 246.379 3.719 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CO[C@H](CC)C1)c1ccc(C)cc1 ZINC000657291621 411451672 /nfs/dbraw/zinc/45/16/72/411451672.db2.gz UCOUKPSPDQOHJD-ARFHVFGLSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CO[C@H](CC)C1)c1ccc(C)cc1 ZINC000657291623 411452129 /nfs/dbraw/zinc/45/21/29/411452129.db2.gz UCOUKPSPDQOHJD-BZUAXINKSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@H]1CO[C@H](CC)C1)c1ccc(C)cc1 ZINC000657291626 411451280 /nfs/dbraw/zinc/45/12/80/411451280.db2.gz UCOUKPSPDQOHJD-OAGGEKHMSA-N 1 0 247.382 3.603 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CO[C@H](CC)C1)c1ccc(C)cc1 ZINC000657291629 411451929 /nfs/dbraw/zinc/45/19/29/411451929.db2.gz UCOUKPSPDQOHJD-XHSDSOJGSA-N 1 0 247.382 3.603 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CO[C@@H](CC)C1)c1ccccc1 ZINC000657293085 411453423 /nfs/dbraw/zinc/45/34/23/411453423.db2.gz WUPNFJDCUVKCKH-JYJNAYRXSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CO[C@H](CC)C1)c1ccccc1 ZINC000657293086 411453072 /nfs/dbraw/zinc/45/30/72/411453072.db2.gz WUPNFJDCUVKCKH-OAGGEKHMSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CO[C@@H](CC)C1)c1ccccc1 ZINC000657293087 411452809 /nfs/dbraw/zinc/45/28/09/411452809.db2.gz WUPNFJDCUVKCKH-PMPSAXMXSA-N 1 0 247.382 3.685 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CO[C@H](CC)C1)c1ccccc1 ZINC000657293088 411453366 /nfs/dbraw/zinc/45/33/66/411453366.db2.gz WUPNFJDCUVKCKH-XHSDSOJGSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657297491 411454003 /nfs/dbraw/zinc/45/40/03/411454003.db2.gz FDWMYCUSMIHYCX-UHFFFAOYSA-N 1 0 248.395 3.822 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)CO1 ZINC000657297823 411454622 /nfs/dbraw/zinc/45/46/22/411454622.db2.gz OVJCIWZDFDTDIK-ARFHVFGLSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C(C)C)CO1 ZINC000657297824 411454276 /nfs/dbraw/zinc/45/42/76/411454276.db2.gz OVJCIWZDFDTDIK-BZUAXINKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)CO1 ZINC000657297825 411454731 /nfs/dbraw/zinc/45/47/31/411454731.db2.gz OVJCIWZDFDTDIK-OAGGEKHMSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)C)CO1 ZINC000657297827 411453953 /nfs/dbraw/zinc/45/39/53/411453953.db2.gz OVJCIWZDFDTDIK-XHSDSOJGSA-N 1 0 247.382 3.541 20 0 BHADRO CC(C)n1ccnc1C[NH2+]CCCC1CCCC1 ZINC000657299011 411455098 /nfs/dbraw/zinc/45/50/98/411455098.db2.gz RLNDLSNRODZJTF-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)n1ccnc1C[NH2+]CCC1CCCCC1 ZINC000657300045 411455368 /nfs/dbraw/zinc/45/53/68/411455368.db2.gz GPDVJNPKVRYHTR-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc2ccncc2s1 ZINC000657300562 411457764 /nfs/dbraw/zinc/45/77/64/411457764.db2.gz IFOPTAOWSNOAJP-UHFFFAOYSA-N 1 0 248.395 3.822 20 0 BHADRO c1c2ccncc2sc1C[NH2+]CC1CCCC1 ZINC000657300672 411457554 /nfs/dbraw/zinc/45/75/54/411457554.db2.gz SJKHGGFFFOBWIZ-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO Clc1ccc2c(c1)C[N@H+](C1CCCC1)C2 ZINC000657309400 411459196 /nfs/dbraw/zinc/45/91/96/411459196.db2.gz XZACBUQEPKTCKW-UHFFFAOYSA-N 1 0 221.731 3.598 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]CC(C)(C)C)cc21 ZINC000657327697 411466006 /nfs/dbraw/zinc/46/60/06/411466006.db2.gz MJLZUBINISZWOP-UHFFFAOYSA-N 1 0 230.355 3.612 20 0 BHADRO Cc1ccc2cc(C[NH2+]CC(C)(C)C)[nH]c2c1 ZINC000657327934 411465899 /nfs/dbraw/zinc/46/58/99/411465899.db2.gz NJHDTNVKIIEQSD-UHFFFAOYSA-N 1 0 230.355 3.612 20 0 BHADRO Cc1ccc2cc(C[NH2+]C[C@@H](C)C3CC3)[nH]c2c1 ZINC000657328588 411467625 /nfs/dbraw/zinc/46/76/25/411467625.db2.gz APWVCANAJGOXQG-GFCCVEGCSA-N 1 0 242.366 3.612 20 0 BHADRO Cc1ccc2cc(C[NH2+]C[C@H](C)C3CC3)[nH]c2c1 ZINC000657328589 411467452 /nfs/dbraw/zinc/46/74/52/411467452.db2.gz APWVCANAJGOXQG-LBPRGKRZSA-N 1 0 242.366 3.612 20 0 BHADRO CCCCC1CCC([NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657328675 411467606 /nfs/dbraw/zinc/46/76/06/411467606.db2.gz ANRONVJDSKKVQJ-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657330221 411467108 /nfs/dbraw/zinc/46/71/08/411467108.db2.gz SIDQZBMMSUHPKF-GHMZBOCLSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657330223 411467260 /nfs/dbraw/zinc/46/72/60/411467260.db2.gz SIDQZBMMSUHPKF-MNOVXSKESA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657330225 411467634 /nfs/dbraw/zinc/46/76/34/411467634.db2.gz SIDQZBMMSUHPKF-QWRGUYRKSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657330227 411467361 /nfs/dbraw/zinc/46/73/61/411467361.db2.gz SIDQZBMMSUHPKF-WDEREUQCSA-N 1 0 248.395 3.821 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C[C@@H](C)C3CC3)cc21 ZINC000657330515 411467368 /nfs/dbraw/zinc/46/73/68/411467368.db2.gz WVEZKJPEZBYCES-GFCCVEGCSA-N 1 0 242.366 3.612 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C[C@H](C)C3CC3)cc21 ZINC000657330517 411467493 /nfs/dbraw/zinc/46/74/93/411467493.db2.gz WVEZKJPEZBYCES-LBPRGKRZSA-N 1 0 242.366 3.612 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657338628 411472862 /nfs/dbraw/zinc/47/28/62/411472862.db2.gz DBEGBNNYCXJJDM-UHFFFAOYSA-N 1 0 230.355 3.755 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2ccncc2s1 ZINC000657338897 411472874 /nfs/dbraw/zinc/47/28/74/411472874.db2.gz IGJIYAQWRDHCGD-UHFFFAOYSA-N 1 0 234.368 3.575 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657339397 411472501 /nfs/dbraw/zinc/47/25/01/411472501.db2.gz SFHIBOJHTUINPJ-UHFFFAOYSA-N 1 0 230.355 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3(C)CCCC3)cc21 ZINC000657345223 411470889 /nfs/dbraw/zinc/47/08/89/411470889.db2.gz KZLZBJHPDYYBDN-UHFFFAOYSA-N 1 0 242.366 3.899 20 0 BHADRO CC1([NH2+]Cc2cc3ccncc3s2)CCCC1 ZINC000657345390 411470982 /nfs/dbraw/zinc/47/09/82/411470982.db2.gz MZNQFHITYAKFIF-UHFFFAOYSA-N 1 0 246.379 3.719 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C)CCCC3)[nH]c2c1 ZINC000657345847 411470921 /nfs/dbraw/zinc/47/09/21/411470921.db2.gz RSOLQUBGGOZRBV-UHFFFAOYSA-N 1 0 242.366 3.899 20 0 BHADRO CC1([NH2+]Cc2ccc(F)c(F)c2F)CCCC1 ZINC000657345873 411470974 /nfs/dbraw/zinc/47/09/74/411470974.db2.gz SQKZEIFOSQKBJZ-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657348731 488115982 /nfs/dbraw/zinc/11/59/82/488115982.db2.gz GEODOMSMKOZHKK-GFCCVEGCSA-N 1 0 248.395 3.965 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657348732 488115840 /nfs/dbraw/zinc/11/58/40/488115840.db2.gz GEODOMSMKOZHKK-LBPRGKRZSA-N 1 0 248.395 3.965 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(COC)cs1 ZINC000657349708 411475771 /nfs/dbraw/zinc/47/57/71/411475771.db2.gz WCWLCLBYLNFNBI-GFCCVEGCSA-N 1 0 241.400 3.563 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(COC)cs1 ZINC000657349710 411476459 /nfs/dbraw/zinc/47/64/59/411476459.db2.gz WCWLCLBYLNFNBI-LBPRGKRZSA-N 1 0 241.400 3.563 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@H]3C)[nH]c2c1 ZINC000657350400 411476077 /nfs/dbraw/zinc/47/60/77/411476077.db2.gz CVNPBZZIGQXADO-DOMZBBRYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3C)[nH]c2c1 ZINC000657350401 411475503 /nfs/dbraw/zinc/47/55/03/411475503.db2.gz CVNPBZZIGQXADO-IUODEOHRSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3C)[nH]c2c1 ZINC000657350402 411475779 /nfs/dbraw/zinc/47/57/79/411475779.db2.gz CVNPBZZIGQXADO-SWLSCSKDSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@@H]3C)[nH]c2c1 ZINC000657350403 411476123 /nfs/dbraw/zinc/47/61/23/411476123.db2.gz CVNPBZZIGQXADO-WFASDCNBSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C)cc21 ZINC000657350404 411475813 /nfs/dbraw/zinc/47/58/13/411475813.db2.gz CWESUGJOCTZJKA-DOMZBBRYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C)cc21 ZINC000657350405 411475462 /nfs/dbraw/zinc/47/54/62/411475462.db2.gz CWESUGJOCTZJKA-IUODEOHRSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C)cc21 ZINC000657350406 411476446 /nfs/dbraw/zinc/47/64/46/411476446.db2.gz CWESUGJOCTZJKA-SWLSCSKDSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C)cc21 ZINC000657350407 411475609 /nfs/dbraw/zinc/47/56/09/411475609.db2.gz CWESUGJOCTZJKA-WFASDCNBSA-N 1 0 242.366 3.755 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657352008 411475521 /nfs/dbraw/zinc/47/55/21/411475521.db2.gz PXGJJXYHVGAXLZ-GWCFXTLKSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657352009 411476452 /nfs/dbraw/zinc/47/64/52/411476452.db2.gz PXGJJXYHVGAXLZ-GXFFZTMASA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657352010 411476189 /nfs/dbraw/zinc/47/61/89/411476189.db2.gz PXGJJXYHVGAXLZ-MFKMUULPSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657352011 411475911 /nfs/dbraw/zinc/47/59/11/411475911.db2.gz PXGJJXYHVGAXLZ-ZWNOBZJWSA-N 1 0 246.379 3.575 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc2ccncc2s1 ZINC000657353622 411474357 /nfs/dbraw/zinc/47/43/57/411474357.db2.gz IGOJHGJSQHJFOH-UHFFFAOYSA-N 1 0 248.395 3.822 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354301 411474158 /nfs/dbraw/zinc/47/41/58/411474158.db2.gz RVTMREAPAPWSNU-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354302 411474102 /nfs/dbraw/zinc/47/41/02/411474102.db2.gz RVTMREAPAPWSNU-FVQBIDKESA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354303 411474260 /nfs/dbraw/zinc/47/42/60/411474260.db2.gz RVTMREAPAPWSNU-NUEKZKHPSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354304 411474180 /nfs/dbraw/zinc/47/41/80/411474180.db2.gz RVTMREAPAPWSNU-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(COC)cs1 ZINC000657355807 411477886 /nfs/dbraw/zinc/47/78/86/411477886.db2.gz AIHMSJSETPUIEN-UHFFFAOYSA-N 1 0 241.400 3.563 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657355844 411478500 /nfs/dbraw/zinc/47/85/00/411478500.db2.gz BFMNHXKYZCNVGT-UHFFFAOYSA-N 1 0 245.288 3.628 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc2ccncc2s1 ZINC000657355870 411478086 /nfs/dbraw/zinc/47/80/86/411478086.db2.gz CDBCHTUALQLFGO-UHFFFAOYSA-N 1 0 248.395 3.965 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc2ccncc2s1 ZINC000657356746 411477876 /nfs/dbraw/zinc/47/78/76/411477876.db2.gz QUYCYWABGDCWEL-UHFFFAOYSA-N 1 0 248.395 3.821 20 0 BHADRO CC(C)n1ccnc1C[NH2+]C1(C)CCC(C)CC1 ZINC000657356851 411478587 /nfs/dbraw/zinc/47/85/87/411478587.db2.gz TVFNHTRIOOBDTF-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1c[nH]c(C[NH2+][C@H](C)CCC2CCCCC2)n1 ZINC000657362592 411480626 /nfs/dbraw/zinc/48/06/26/411480626.db2.gz DRTJWOZQBDWRJZ-GFCCVEGCSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1c[nH]c(C[NH2+][C@@H](C)CCC2CCCCC2)n1 ZINC000657362594 411480717 /nfs/dbraw/zinc/48/07/17/411480717.db2.gz DRTJWOZQBDWRJZ-LBPRGKRZSA-N 1 0 249.402 3.557 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2C)CO1 ZINC000657364460 411481346 /nfs/dbraw/zinc/48/13/46/411481346.db2.gz WALHLVRTLLKCCU-QLFBSQMISA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2C)CO1 ZINC000657364461 411481004 /nfs/dbraw/zinc/48/10/04/411481004.db2.gz WALHLVRTLLKCCU-RBSFLKMASA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2C)CO1 ZINC000657364462 411481460 /nfs/dbraw/zinc/48/14/60/411481460.db2.gz WALHLVRTLLKCCU-RRFJBIMHSA-N 1 0 247.382 3.522 20 0 BHADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2C)CO1 ZINC000657364463 411481474 /nfs/dbraw/zinc/48/14/74/411481474.db2.gz WALHLVRTLLKCCU-SOUVJXGZSA-N 1 0 247.382 3.522 20 0 BHADRO c1c2ccncc2sc1C[NH2+]CCCC1CC1 ZINC000657364594 411481701 /nfs/dbraw/zinc/48/17/01/411481701.db2.gz NUDPAYYJAVKRFT-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(COC)cs1 ZINC000657365041 411481533 /nfs/dbraw/zinc/48/15/33/411481533.db2.gz DKFRRZYKJGLGFT-UHFFFAOYSA-N 1 0 241.400 3.563 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H]3CC=CCC3)[nH]c2c1 ZINC000657366413 411478963 /nfs/dbraw/zinc/47/89/63/411478963.db2.gz GWPCXVUMLIXGIU-AWEZNQCLSA-N 1 0 240.350 3.675 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H]3CC=CCC3)[nH]c2c1 ZINC000657366418 411479083 /nfs/dbraw/zinc/47/90/83/411479083.db2.gz GWPCXVUMLIXGIU-CQSZACIVSA-N 1 0 240.350 3.675 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CC=CCC3)cc21 ZINC000657367494 411480327 /nfs/dbraw/zinc/48/03/27/411480327.db2.gz PEJFHTIJKFVQEP-CYBMUJFWSA-N 1 0 240.350 3.675 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CC=CCC3)cc21 ZINC000657367495 411480415 /nfs/dbraw/zinc/48/04/15/411480415.db2.gz PEJFHTIJKFVQEP-ZDUSSCGKSA-N 1 0 240.350 3.675 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657368330 411480429 /nfs/dbraw/zinc/48/04/29/411480429.db2.gz VQYYGWXWURMQKG-UHFFFAOYSA-N 1 0 248.395 3.965 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2CC=CCC2)c(C)c1 ZINC000657368476 411480708 /nfs/dbraw/zinc/48/07/08/411480708.db2.gz XLIJXBLFXCNMCG-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H]2CC=CCC2)c(C)c1 ZINC000657368478 411480612 /nfs/dbraw/zinc/48/06/12/411480612.db2.gz XLIJXBLFXCNMCG-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657371497 411484559 /nfs/dbraw/zinc/48/45/59/411484559.db2.gz WNYCSUSNQGSUKN-LLVKDONJSA-N 1 0 248.395 3.678 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657371498 411484370 /nfs/dbraw/zinc/48/43/70/411484370.db2.gz WNYCSUSNQGSUKN-NSHDSACASA-N 1 0 248.395 3.678 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]Cc2nccn2C(C)C)C1 ZINC000657372964 411486430 /nfs/dbraw/zinc/48/64/30/411486430.db2.gz MWJPUEJGJMORLF-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2nccn2C(C)C)C1 ZINC000657372965 411485887 /nfs/dbraw/zinc/48/58/87/411485887.db2.gz MWJPUEJGJMORLF-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2nccn2C(C)C)C1 ZINC000657372966 411485471 /nfs/dbraw/zinc/48/54/71/411485471.db2.gz MWJPUEJGJMORLF-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nccn2C(C)C)C1 ZINC000657372967 411485485 /nfs/dbraw/zinc/48/54/85/411485485.db2.gz MWJPUEJGJMORLF-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+]C1CCC(C)(C)CC1 ZINC000657374474 411482351 /nfs/dbraw/zinc/48/23/51/411482351.db2.gz LUIKJKYNJCKMPH-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)([NH2+]Cc1cc2ccncc2s1)C1CC1 ZINC000657376251 411486281 /nfs/dbraw/zinc/48/62/81/411486281.db2.gz PRWVLZADYCXGTL-UHFFFAOYSA-N 1 0 246.379 3.575 20 0 BHADRO Cc1ccc2cc(C[NH2+]C(C)(C)C3CC3)[nH]c2c1 ZINC000657376407 411485653 /nfs/dbraw/zinc/48/56/53/411485653.db2.gz QNCUQZNDEKWEDS-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C(C)(C)C3CC3)cc21 ZINC000657376506 411486013 /nfs/dbraw/zinc/48/60/13/411486013.db2.gz RMFMPDBXXKQMAU-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CCC1([NH2+]Cc2cc3ccncc3s2)CCC1 ZINC000657383086 411487906 /nfs/dbraw/zinc/48/79/06/411487906.db2.gz HDXPEDXIVWPLJC-UHFFFAOYSA-N 1 0 246.379 3.719 20 0 BHADRO FC(F)(F)CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657383161 411487745 /nfs/dbraw/zinc/48/77/45/411487745.db2.gz MPPRNMFOIHNHFO-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CCC1([NH2+]Cc2cc3c(cccc3C)[nH]2)CCC1 ZINC000657383424 411488376 /nfs/dbraw/zinc/48/83/76/411488376.db2.gz IHQBQWNISHUCNW-UHFFFAOYSA-N 1 0 242.366 3.899 20 0 BHADRO CCC1([NH2+]Cc2ccc(F)c(F)c2F)CCC1 ZINC000657383655 411489031 /nfs/dbraw/zinc/48/90/31/411489031.db2.gz LIUXHVUXSJXQJP-UHFFFAOYSA-N 1 0 243.272 3.526 20 0 BHADRO CCC1([NH2+]Cc2cc3ccc(C)cc3[nH]2)CCC1 ZINC000657385706 411488768 /nfs/dbraw/zinc/48/87/68/411488768.db2.gz YIFBBMBEWBDKAZ-UHFFFAOYSA-N 1 0 242.366 3.899 20 0 BHADRO CCC1(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657388036 411490053 /nfs/dbraw/zinc/49/00/53/411490053.db2.gz AVXKHZKGWVWKCM-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO CC1(C[NH2+]Cc2cc3ccncc3s2)CCC1 ZINC000657388107 411490474 /nfs/dbraw/zinc/49/04/74/411490474.db2.gz DRZCVWFKJQJROF-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO CC(C)n1ccnc1C[NH2+]CC1(C)CCCCC1 ZINC000657394657 411493656 /nfs/dbraw/zinc/49/36/56/411493656.db2.gz LUVNACVBDAPAGC-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC1(C[NH2+]Cc2nccn2C(C)C)CCC1 ZINC000657394775 411494210 /nfs/dbraw/zinc/49/42/10/411494210.db2.gz UKOSKSFOENEQGY-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCCOc1ccc(C[NH2+]C2CC=CC2)c(C)c1 ZINC000657396688 411494298 /nfs/dbraw/zinc/49/42/98/411494298.db2.gz YMHJHMHZLHQVBS-UHFFFAOYSA-N 1 0 245.366 3.592 20 0 BHADRO CCC1(C[NH2+]Cc2nccn2C(C)C)CCCC1 ZINC000657396860 411493976 /nfs/dbraw/zinc/49/39/76/411493976.db2.gz DBKKKANQDRAFHT-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C4CC4)CC3)[nH]c2c1 ZINC000657397721 411494817 /nfs/dbraw/zinc/49/48/17/411494817.db2.gz FLHDIGMCTVIHDI-UHFFFAOYSA-N 1 0 240.350 3.509 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3(C4CC4)CC3)cc21 ZINC000657398003 411494643 /nfs/dbraw/zinc/49/46/43/411494643.db2.gz GYDNXYCPFSOFGF-UHFFFAOYSA-N 1 0 240.350 3.509 20 0 BHADRO FCCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657399944 411494677 /nfs/dbraw/zinc/49/46/77/411494677.db2.gz KAQYJHKICYNDFH-UHFFFAOYSA-N 1 0 249.354 3.864 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657414445 411498288 /nfs/dbraw/zinc/49/82/88/411498288.db2.gz OXBRTBBNDQMCFO-LLVKDONJSA-N 1 0 248.395 3.821 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657414447 411499165 /nfs/dbraw/zinc/49/91/65/411499165.db2.gz OXBRTBBNDQMCFO-NSHDSACASA-N 1 0 248.395 3.821 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccncc2s1)C1CCC1 ZINC000657416386 411499571 /nfs/dbraw/zinc/49/95/71/411499571.db2.gz BTSLTNWXYMSCDE-JTQLQIEISA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccncc2s1)C1CCC1 ZINC000657416387 411501299 /nfs/dbraw/zinc/50/12/99/411501299.db2.gz BTSLTNWXYMSCDE-SNVBAGLBSA-N 1 0 246.379 3.575 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H](C)C3CCC3)cc21 ZINC000657417174 411500816 /nfs/dbraw/zinc/50/08/16/411500816.db2.gz JGVMPZSFWJJSBP-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)C3CCC3)cc21 ZINC000657417175 411501214 /nfs/dbraw/zinc/50/12/14/411501214.db2.gz JGVMPZSFWJJSBP-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H](C)C3CCC3)[nH]c2c1 ZINC000657417184 411501263 /nfs/dbraw/zinc/50/12/63/411501263.db2.gz JNLADVKQCYXBGB-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H](C)C3CCC3)[nH]c2c1 ZINC000657417185 411500614 /nfs/dbraw/zinc/50/06/14/411500614.db2.gz JNLADVKQCYXBGB-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3(C)CCC3)cc21 ZINC000657417384 411500884 /nfs/dbraw/zinc/50/08/84/411500884.db2.gz XNSGZFYIOXNHBC-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C)CCC3)[nH]c2c1 ZINC000657417456 411500633 /nfs/dbraw/zinc/50/06/33/411500633.db2.gz ZBVKKFCBQSIVJG-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000657441943 411511305 /nfs/dbraw/zinc/51/13/05/411511305.db2.gz KMGPDELLOBYOEK-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)n1ccnc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000657441945 411511373 /nfs/dbraw/zinc/51/13/73/411511373.db2.gz KMGPDELLOBYOEK-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657446457 411513807 /nfs/dbraw/zinc/51/38/07/411513807.db2.gz HJMWVEAXMWMAAE-UHFFFAOYSA-N 1 0 248.395 3.822 20 0 BHADRO CC(C)=CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657446710 411513922 /nfs/dbraw/zinc/51/39/22/411513922.db2.gz FWSMZKIXUWADKZ-UHFFFAOYSA-N 1 0 243.272 3.550 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657447565 411513691 /nfs/dbraw/zinc/51/36/91/411513691.db2.gz YZMKQPCDHDNIIT-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO CC(C)=CC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657448053 411513565 /nfs/dbraw/zinc/51/35/65/411513565.db2.gz NXMSDVWJJJJDLU-UHFFFAOYSA-N 1 0 228.339 3.532 20 0 BHADRO FC1(F)CC([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657448523 411509928 /nfs/dbraw/zinc/50/99/28/411509928.db2.gz KUHGCVUMKPDIKU-UHFFFAOYSA-N 1 0 243.341 3.733 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657448618 411509931 /nfs/dbraw/zinc/50/99/31/411509931.db2.gz TXVWRHFNAQLEPZ-UHFFFAOYSA-N 1 0 246.379 3.742 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000657448973 411510379 /nfs/dbraw/zinc/51/03/79/411510379.db2.gz OXFZNRZODUFUME-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000657448974 411510354 /nfs/dbraw/zinc/51/03/54/411510354.db2.gz OXFZNRZODUFUME-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000657448975 411510217 /nfs/dbraw/zinc/51/02/17/411510217.db2.gz OXFZNRZODUFUME-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(F)(F)C2)CC1 ZINC000657448976 411509864 /nfs/dbraw/zinc/50/98/64/411509864.db2.gz OXFZNRZODUFUME-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452478 411514987 /nfs/dbraw/zinc/51/49/87/411514987.db2.gz GATSZLIKGFYCAF-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452482 411515093 /nfs/dbraw/zinc/51/50/93/411515093.db2.gz GATSZLIKGFYCAF-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452483 411515040 /nfs/dbraw/zinc/51/50/40/411515040.db2.gz GATSZLIKGFYCAF-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452485 411514704 /nfs/dbraw/zinc/51/47/04/411514704.db2.gz GATSZLIKGFYCAF-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452517 411514809 /nfs/dbraw/zinc/51/48/09/411514809.db2.gz GRISZBXXGPLZNA-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]CC2(C(F)F)CC2)CC1 ZINC000657452518 411514662 /nfs/dbraw/zinc/51/46/62/411514662.db2.gz GRISZBXXGPLZNA-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC1(CC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657453449 411514855 /nfs/dbraw/zinc/51/48/55/411514855.db2.gz YUGVQCNIJDXBPF-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO C[C@H](CF)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657466354 411519564 /nfs/dbraw/zinc/51/95/64/411519564.db2.gz HHQPURNQVDQNPZ-LLVKDONJSA-N 1 0 249.354 3.863 20 0 BHADRO C[C@@H](CF)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657466355 411519721 /nfs/dbraw/zinc/51/97/21/411519721.db2.gz HHQPURNQVDQNPZ-NSHDSACASA-N 1 0 249.354 3.863 20 0 BHADRO FCCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657470136 411522122 /nfs/dbraw/zinc/52/21/22/411522122.db2.gz NKGMIICRRZATAH-UHFFFAOYSA-N 1 0 227.367 3.685 20 0 BHADRO CCc1cccc2cc(C[NH2+]CCCCF)oc21 ZINC000657471132 411523018 /nfs/dbraw/zinc/52/30/18/411523018.db2.gz ZLQSPLLKKSVCMR-UHFFFAOYSA-N 1 0 249.329 3.835 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]Cc2nccn2C(C)C)CC1 ZINC000657473562 411523410 /nfs/dbraw/zinc/52/34/10/411523410.db2.gz NASBAROZHQGEMF-HDJSIYSDSA-N 1 0 249.402 3.522 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C(C)C)CC3)[nH]c2c1 ZINC000657474374 411523907 /nfs/dbraw/zinc/52/39/07/411523907.db2.gz IYPPQDJTAGARSZ-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3(C(C)C)CC3)cc21 ZINC000657474761 411524034 /nfs/dbraw/zinc/52/40/34/411524034.db2.gz REVJYGUMDAXJFI-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CC(C)C1([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657475036 411524182 /nfs/dbraw/zinc/52/41/82/411524182.db2.gz YCXLDRKDLSZQPH-UHFFFAOYSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H](F)CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657475314 411525195 /nfs/dbraw/zinc/52/51/95/411525195.db2.gz NZIFBPYYRRGQFT-LMWSTFAQSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H](F)CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657475315 411524627 /nfs/dbraw/zinc/52/46/27/411524627.db2.gz NZIFBPYYRRGQFT-XGNXJENSSA-N 1 0 227.367 3.683 20 0 BHADRO CC(F)(F)CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657476333 411524920 /nfs/dbraw/zinc/52/49/20/411524920.db2.gz FLZHMAJLTCPYKB-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657478154 411525558 /nfs/dbraw/zinc/52/55/58/411525558.db2.gz GLYBRIRUCZQDKE-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657478538 411526069 /nfs/dbraw/zinc/52/60/69/411526069.db2.gz LOGMUCGZHRZRRS-AWEZNQCLSA-N 1 0 249.402 3.689 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657478540 411525930 /nfs/dbraw/zinc/52/59/30/411525930.db2.gz LOGMUCGZHRZRRS-CQSZACIVSA-N 1 0 249.402 3.689 20 0 BHADRO CCC1([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657478794 411526216 /nfs/dbraw/zinc/52/62/16/411526216.db2.gz OPASPJPVAKZJPH-UHFFFAOYSA-N 1 0 228.339 3.509 20 0 BHADRO CCCn1nccc1C[NH2+][C@@H](C)CCC=C(C)C ZINC000657479309 411528308 /nfs/dbraw/zinc/52/83/08/411528308.db2.gz ZPSWTHDKBZPFEZ-AWEZNQCLSA-N 1 0 249.402 3.518 20 0 BHADRO CCCn1nccc1C[NH2+][C@H](C)CCC=C(C)C ZINC000657479311 411527610 /nfs/dbraw/zinc/52/76/10/411527610.db2.gz ZPSWTHDKBZPFEZ-CQSZACIVSA-N 1 0 249.402 3.518 20 0 BHADRO CC/C=C\C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657480017 411528085 /nfs/dbraw/zinc/52/80/85/411528085.db2.gz POKQQDOYYVAQEU-PLNGDYQASA-N 1 0 228.339 3.532 20 0 BHADRO CC/C=C/C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657480019 411528016 /nfs/dbraw/zinc/52/80/16/411528016.db2.gz POKQQDOYYVAQEU-SNAWJCMRSA-N 1 0 228.339 3.532 20 0 BHADRO CC/C=C\C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657480397 411527670 /nfs/dbraw/zinc/52/76/70/411527670.db2.gz XDEBOTWWMWEXPQ-PLNGDYQASA-N 1 0 228.339 3.532 20 0 BHADRO CC/C=C/C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657480398 411527902 /nfs/dbraw/zinc/52/79/02/411527902.db2.gz XDEBOTWWMWEXPQ-SNAWJCMRSA-N 1 0 228.339 3.532 20 0 BHADRO CC(C)n1ccnc1C[NH2+]CC1CCCCCC1 ZINC000657481073 411526830 /nfs/dbraw/zinc/52/68/30/411526830.db2.gz ITQGPYKTVOYDGT-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CC[C@H]([NH2+]Cc1nccn1C(C)C)C1CCCC1 ZINC000657484110 411529305 /nfs/dbraw/zinc/52/93/05/411529305.db2.gz CTBVAIRWYUWFDV-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H]([NH2+]Cc1nccn1C(C)C)C1CCCC1 ZINC000657484111 411528995 /nfs/dbraw/zinc/52/89/95/411528995.db2.gz CTBVAIRWYUWFDV-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CCC1([NH2+]Cc2nccn2C(C)C)CCCCC1 ZINC000657484214 411529128 /nfs/dbraw/zinc/52/91/28/411529128.db2.gz XCZWRDRJYPDPML-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CCOC)CC1 ZINC000657490164 411533432 /nfs/dbraw/zinc/53/34/32/411533432.db2.gz GWKSCCJVTJUFKT-KFWWJZLASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CCOC)CC1 ZINC000657490165 411533225 /nfs/dbraw/zinc/53/32/25/411533225.db2.gz GWKSCCJVTJUFKT-RBSFLKMASA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CCOC)CC1 ZINC000657490166 411533839 /nfs/dbraw/zinc/53/38/39/411533839.db2.gz GWKSCCJVTJUFKT-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CCOC)CC1 ZINC000657490167 411533557 /nfs/dbraw/zinc/53/35/57/411533557.db2.gz GWKSCCJVTJUFKT-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCc1cccc2cc(C[NH2+][C@H]3CC34CC4)oc21 ZINC000657495713 411535528 /nfs/dbraw/zinc/53/55/28/411535528.db2.gz KLCILEVXLFONBG-AWEZNQCLSA-N 1 0 241.334 3.637 20 0 BHADRO CCc1cccc2cc(C[NH2+][C@@H]3CC34CC4)oc21 ZINC000657495714 411535482 /nfs/dbraw/zinc/53/54/82/411535482.db2.gz KLCILEVXLFONBG-CQSZACIVSA-N 1 0 241.334 3.637 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)C(C)(C)C ZINC000657502158 411538526 /nfs/dbraw/zinc/53/85/26/411538526.db2.gz GJWQUDCESRSKEJ-MRVPVSSYSA-N 1 0 245.288 3.628 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccncc2s1)C(C)(C)C ZINC000657503298 411539662 /nfs/dbraw/zinc/53/96/62/411539662.db2.gz ZISPOCHUVYOMNR-SNVBAGLBSA-N 1 0 248.395 3.821 20 0 BHADRO CCOc1ccc(C[NH2+]C2(C)CC=CC2)c(C)c1 ZINC000657504792 411539529 /nfs/dbraw/zinc/53/95/29/411539529.db2.gz KHCPHJNDMKIOEK-UHFFFAOYSA-N 1 0 245.366 3.592 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3(C)CC=CC3)cc21 ZINC000657505349 411540023 /nfs/dbraw/zinc/54/00/23/411540023.db2.gz PGHITWOACUNQLW-UHFFFAOYSA-N 1 0 240.350 3.675 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3(C)CC=CC3)[nH]c2c1 ZINC000657505878 411540013 /nfs/dbraw/zinc/54/00/13/411540013.db2.gz VNXPGMNOKPZDOC-UHFFFAOYSA-N 1 0 240.350 3.675 20 0 BHADRO FC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000657522937 411541382 /nfs/dbraw/zinc/54/13/82/411541382.db2.gz GCTFCQYUHINUER-UHFFFAOYSA-N 1 0 248.128 3.585 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCCC1)c1ccccn1 ZINC000657532111 411545226 /nfs/dbraw/zinc/54/52/26/411545226.db2.gz DEGCFKKZVJUBKW-AWEZNQCLSA-N 1 0 246.398 3.745 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCCC1)c1ccccn1 ZINC000657532112 411545292 /nfs/dbraw/zinc/54/52/92/411545292.db2.gz DEGCFKKZVJUBKW-CQSZACIVSA-N 1 0 246.398 3.745 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)c2ccccn2)CC1 ZINC000657532323 411545193 /nfs/dbraw/zinc/54/51/93/411545193.db2.gz GYINXKMOGKWRJP-NFOMZHRRSA-N 1 0 246.398 3.744 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)c2ccccn2)CC1 ZINC000657532324 411544904 /nfs/dbraw/zinc/54/49/04/411544904.db2.gz GYINXKMOGKWRJP-WLYUNCDWSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)(C)CC1)c1ccccn1 ZINC000657532520 411545293 /nfs/dbraw/zinc/54/52/93/411545293.db2.gz IWKWIDZSSMCLLU-CYBMUJFWSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)c1ccccn1 ZINC000657532521 411545130 /nfs/dbraw/zinc/54/51/30/411545130.db2.gz IWKWIDZSSMCLLU-ZDUSSCGKSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccn2)C1 ZINC000657532536 411545082 /nfs/dbraw/zinc/54/50/82/411545082.db2.gz JFHWTAUXMFXSKR-KFWWJZLASA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccn2)C1 ZINC000657532538 411545046 /nfs/dbraw/zinc/54/50/46/411545046.db2.gz JFHWTAUXMFXSKR-RBSFLKMASA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccn2)C1 ZINC000657532539 411545363 /nfs/dbraw/zinc/54/53/63/411545363.db2.gz JFHWTAUXMFXSKR-RRFJBIMHSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)c2ccccn2)C1 ZINC000657532541 411545041 /nfs/dbraw/zinc/54/50/41/411545041.db2.gz JFHWTAUXMFXSKR-ZNMIVQPWSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)C(C[NH2+]C[C@H](C)c1ccccn1)C(C)C ZINC000657533788 411545306 /nfs/dbraw/zinc/54/53/06/411545306.db2.gz CJZWDJOSOJWPGY-AWEZNQCLSA-N 1 0 248.414 3.703 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H](C)c1ccccn1)C(C)C ZINC000657533789 411544937 /nfs/dbraw/zinc/54/49/37/411544937.db2.gz CJZWDJOSOJWPGY-CQSZACIVSA-N 1 0 248.414 3.703 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000657533846 411545267 /nfs/dbraw/zinc/54/52/67/411545267.db2.gz DKRRTQOJAVCAJF-ILXRZTDVSA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000657533849 411545249 /nfs/dbraw/zinc/54/52/49/411545249.db2.gz DKRRTQOJAVCAJF-KFWWJZLASA-N 1 0 246.398 3.601 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000657533851 411545034 /nfs/dbraw/zinc/54/50/34/411545034.db2.gz DKRRTQOJAVCAJF-QLFBSQMISA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000657533853 411545154 /nfs/dbraw/zinc/54/51/54/411545154.db2.gz DKRRTQOJAVCAJF-RBSFLKMASA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000657534091 411545008 /nfs/dbraw/zinc/54/50/08/411545008.db2.gz DVYMVUHCDBUPMT-BARDWOONSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000657534092 411545010 /nfs/dbraw/zinc/54/50/10/411545010.db2.gz DVYMVUHCDBUPMT-LJISPDSOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000657534093 411545006 /nfs/dbraw/zinc/54/50/06/411545006.db2.gz DVYMVUHCDBUPMT-MCIONIFRSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000657534094 411545210 /nfs/dbraw/zinc/54/52/10/411545210.db2.gz DVYMVUHCDBUPMT-MGPQQGTHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccn1 ZINC000657534200 411544931 /nfs/dbraw/zinc/54/49/31/411544931.db2.gz FVNVZYQELKTLGY-BYNSBNAKSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccn1 ZINC000657534201 411545188 /nfs/dbraw/zinc/54/51/88/411545188.db2.gz FVNVZYQELKTLGY-GBJTYRQASA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccn1 ZINC000657534202 411545138 /nfs/dbraw/zinc/54/51/38/411545138.db2.gz FVNVZYQELKTLGY-KBUPBQIOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccn1 ZINC000657534203 411545617 /nfs/dbraw/zinc/54/56/17/411545617.db2.gz FVNVZYQELKTLGY-LXTVHRRPSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000657535421 411545289 /nfs/dbraw/zinc/54/52/89/411545289.db2.gz MCDUESMMXMNMTE-GUTXKFCHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccccn1 ZINC000657535422 411545233 /nfs/dbraw/zinc/54/52/33/411545233.db2.gz MCDUESMMXMNMTE-GZBFAFLISA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccccn1 ZINC000657535423 411544939 /nfs/dbraw/zinc/54/49/39/411544939.db2.gz MCDUESMMXMNMTE-NFAWXSAZSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccccn1 ZINC000657535424 411545263 /nfs/dbraw/zinc/54/52/63/411545263.db2.gz MCDUESMMXMNMTE-UMVBOHGHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000657536368 411545917 /nfs/dbraw/zinc/54/59/17/411545917.db2.gz WOKWXEVFWJPGLE-KBPBESRZSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000657536370 411545626 /nfs/dbraw/zinc/54/56/26/411545626.db2.gz WOKWXEVFWJPGLE-KGLIPLIRSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000657536371 411545906 /nfs/dbraw/zinc/54/59/06/411545906.db2.gz WOKWXEVFWJPGLE-UONOGXRCSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)c1ccccn1 ZINC000657536373 411545937 /nfs/dbraw/zinc/54/59/37/411545937.db2.gz WOKWXEVFWJPGLE-ZIAGYGMSSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000657536581 411545960 /nfs/dbraw/zinc/54/59/60/411545960.db2.gz YCTAOYVOCMULNZ-KFWWJZLASA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000657536582 411545838 /nfs/dbraw/zinc/54/58/38/411545838.db2.gz YCTAOYVOCMULNZ-RBSFLKMASA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000657536583 411545925 /nfs/dbraw/zinc/54/59/25/411545925.db2.gz YCTAOYVOCMULNZ-RRFJBIMHSA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000657536584 411545582 /nfs/dbraw/zinc/54/55/82/411545582.db2.gz YCTAOYVOCMULNZ-ZNMIVQPWSA-N 1 0 246.398 3.601 20 0 BHADRO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC1 ZINC000657547812 411546156 /nfs/dbraw/zinc/54/61/56/411546156.db2.gz LYYDZPXKHXLSPI-ABAIWWIYSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC1 ZINC000657547813 411546338 /nfs/dbraw/zinc/54/63/38/411546338.db2.gz LYYDZPXKHXLSPI-IAQYHMDHSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000657547814 411546314 /nfs/dbraw/zinc/54/63/14/411546314.db2.gz LYYDZPXKHXLSPI-NHYWBVRUSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000657547815 411546281 /nfs/dbraw/zinc/54/62/81/411546281.db2.gz LYYDZPXKHXLSPI-XHDPSFHLSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccco1 ZINC000657548276 411546131 /nfs/dbraw/zinc/54/61/31/411546131.db2.gz UTYNZSQVVGPGHR-AWEZNQCLSA-N 1 0 247.313 3.530 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccco1 ZINC000657548277 411546037 /nfs/dbraw/zinc/54/60/37/411546037.db2.gz UTYNZSQVVGPGHR-CQSZACIVSA-N 1 0 247.313 3.530 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657549069 411546664 /nfs/dbraw/zinc/54/66/64/411546664.db2.gz ACRCXXAVBXCQAL-GDBMZVCRSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657549071 411546690 /nfs/dbraw/zinc/54/66/90/411546690.db2.gz ACRCXXAVBXCQAL-HOCLYGCPSA-N 1 0 227.351 3.596 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657549327 411546707 /nfs/dbraw/zinc/54/67/07/411546707.db2.gz CAKFANLBKCUBDK-IUODEOHRSA-N 1 0 243.375 3.934 20 0 BHADRO c1c2ccccc2sc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657549329 411546711 /nfs/dbraw/zinc/54/67/11/411546711.db2.gz CAKFANLBKCUBDK-WFASDCNBSA-N 1 0 243.375 3.934 20 0 BHADRO Fc1ccc2oc(C[NH2+][C@]34C[C@H]3CCC4)cc2c1 ZINC000657549582 411546687 /nfs/dbraw/zinc/54/66/87/411546687.db2.gz DPAOGYZZPBQREN-IAQYHMDHSA-N 1 0 245.297 3.604 20 0 BHADRO Fc1ccc2oc(C[NH2+][C@@]34C[C@@H]3CCC4)cc2c1 ZINC000657549583 411546752 /nfs/dbraw/zinc/54/67/52/411546752.db2.gz DPAOGYZZPBQREN-NHYWBVRUSA-N 1 0 245.297 3.604 20 0 BHADRO c1ccc2cc(C[NH2+][C@]34C[C@H]3CCC4)ccc2c1 ZINC000657549911 411546636 /nfs/dbraw/zinc/54/66/36/411546636.db2.gz FZMNQUPQBZRFNQ-IAGOWNOFSA-N 1 0 237.346 3.872 20 0 BHADRO c1ccc2cc(C[NH2+][C@@]34C[C@@H]3CCC4)ccc2c1 ZINC000657549912 411546129 /nfs/dbraw/zinc/54/61/29/411546129.db2.gz FZMNQUPQBZRFNQ-IRXDYDNUSA-N 1 0 237.346 3.872 20 0 BHADRO CCCOc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000657549919 411551657 /nfs/dbraw/zinc/55/16/57/411551657.db2.gz GBYAUZLBLIVQID-GDBMZVCRSA-N 1 0 245.366 3.508 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000657549921 411551333 /nfs/dbraw/zinc/55/13/33/411551333.db2.gz GBYAUZLBLIVQID-HOCLYGCPSA-N 1 0 245.366 3.508 20 0 BHADRO CCCOc1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657549966 411551488 /nfs/dbraw/zinc/55/14/88/411551488.db2.gz GQCLFITVQQMIOA-GDBMZVCRSA-N 1 0 245.366 3.508 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657549968 411551603 /nfs/dbraw/zinc/55/16/03/411551603.db2.gz GQCLFITVQQMIOA-HOCLYGCPSA-N 1 0 245.366 3.508 20 0 BHADRO Fc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1Cl ZINC000657550221 411551605 /nfs/dbraw/zinc/55/16/05/411551605.db2.gz HLHXHNODBAPTFP-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1Cl ZINC000657550240 411551248 /nfs/dbraw/zinc/55/12/48/411551248.db2.gz HLHXHNODBAPTFP-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657550374 411551495 /nfs/dbraw/zinc/55/14/95/411551495.db2.gz BXIYKPKNPUTVHI-HOTGVXAUSA-N 1 0 227.351 3.596 20 0 BHADRO c1cc(C2CC2)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657550376 411551520 /nfs/dbraw/zinc/55/15/20/411551520.db2.gz BXIYKPKNPUTVHI-HZPDHXFCSA-N 1 0 227.351 3.596 20 0 BHADRO Cc1cc(C[NH2+][C@@]23C[C@@H]2CCC3)ccc1Cl ZINC000657550454 411551517 /nfs/dbraw/zinc/55/15/17/411551517.db2.gz IROGHXVHXUIKTO-JSGCOSHPSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1cc(C[NH2+][C@]23C[C@H]2CCC3)ccc1Cl ZINC000657550457 411551441 /nfs/dbraw/zinc/55/14/41/411551441.db2.gz IROGHXVHXUIKTO-TZMCWYRMSA-N 1 0 235.758 3.681 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657550699 411551831 /nfs/dbraw/zinc/55/18/31/411551831.db2.gz FHMFFKALFDPVFM-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1cc(Cl)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657550707 411551839 /nfs/dbraw/zinc/55/18/39/411551839.db2.gz FHMFFKALFDPVFM-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657550772 411551866 /nfs/dbraw/zinc/55/18/66/411551866.db2.gz JVBNKDLWSWATLB-TZCWYCDXSA-N 1 0 227.351 3.622 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657550773 411551798 /nfs/dbraw/zinc/55/17/98/411551798.db2.gz JVBNKDLWSWATLB-UPUWXQQRSA-N 1 0 227.351 3.622 20 0 BHADRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1Cl ZINC000657550977 411547819 /nfs/dbraw/zinc/54/78/19/411547819.db2.gz GBTUEZSBMQNDHF-JSGCOSHPSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1Cl ZINC000657550979 411547766 /nfs/dbraw/zinc/54/77/66/411547766.db2.gz GBTUEZSBMQNDHF-TZMCWYRMSA-N 1 0 235.758 3.681 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@]23C[C@@H]2CCC3)cc1F ZINC000657551086 411547809 /nfs/dbraw/zinc/54/78/09/411547809.db2.gz GTGBHQSDLYGREB-IWAUEBOVSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@]23C[C@@H]2CCC3)cc1F ZINC000657551089 411547831 /nfs/dbraw/zinc/54/78/31/411547831.db2.gz GTGBHQSDLYGREB-IXMWWTPESA-N 1 0 249.304 3.510 20 0 BHADRO Fc1cc(C[NH2+][C@@]23C[C@@H]2CCC3)ccc1Cl ZINC000657551233 411547767 /nfs/dbraw/zinc/54/77/67/411547767.db2.gz MUCFVBIMGPFRHM-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1cc(C[NH2+][C@]23C[C@H]2CCC3)ccc1Cl ZINC000657551236 411547761 /nfs/dbraw/zinc/54/77/61/411547761.db2.gz MUCFVBIMGPFRHM-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@]34C[C@@H]3CCC4)[nH]c2c1 ZINC000657551447 411547807 /nfs/dbraw/zinc/54/78/07/411547807.db2.gz JFLQILNRIQJXCG-BBRMVZONSA-N 1 0 240.350 3.509 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@]34C[C@H]3CCC4)[nH]c2c1 ZINC000657551449 411547619 /nfs/dbraw/zinc/54/76/19/411547619.db2.gz JFLQILNRIQJXCG-CZUORRHYSA-N 1 0 240.350 3.509 20 0 BHADRO Fc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000657551517 411547861 /nfs/dbraw/zinc/54/78/61/411547861.db2.gz OLRVJLJCLQHVFD-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1ccc(C[NH2+][C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000657551520 411547833 /nfs/dbraw/zinc/54/78/33/411547833.db2.gz OLRVJLJCLQHVFD-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO CSc1ccc(C[NH2+][C@]23C[C@H]2CCC3)s1 ZINC000657551672 411547660 /nfs/dbraw/zinc/54/76/60/411547660.db2.gz LFBVYLIPTGBOLP-BXKDBHETSA-N 1 0 239.409 3.502 20 0 BHADRO CSc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)s1 ZINC000657551675 411547896 /nfs/dbraw/zinc/54/78/96/411547896.db2.gz LFBVYLIPTGBOLP-CABZTGNLSA-N 1 0 239.409 3.502 20 0 BHADRO CCSc1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657551683 411547782 /nfs/dbraw/zinc/54/77/82/411547782.db2.gz PMVQOZHMATWUJR-UKRRQHHQSA-N 1 0 247.407 3.831 20 0 BHADRO CCSc1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657551685 411548351 /nfs/dbraw/zinc/54/83/51/411548351.db2.gz PMVQOZHMATWUJR-ZFWWWQNUSA-N 1 0 247.407 3.831 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@]23C[C@@H]2CCC3)C1 ZINC000657551967 411548394 /nfs/dbraw/zinc/54/83/94/411548394.db2.gz MADKZEFIIZFNJV-MXAVVETBSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@]23C[C@H]2CCC3)C1 ZINC000657551968 411548193 /nfs/dbraw/zinc/54/81/93/411548193.db2.gz MADKZEFIIZFNJV-SPWCGHHHSA-N 1 0 219.372 3.511 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000657551979 411548021 /nfs/dbraw/zinc/54/80/21/411548021.db2.gz MFZIIJMGEBRKPQ-JSGCOSHPSA-N 1 0 237.293 3.656 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000657551981 411548380 /nfs/dbraw/zinc/54/83/80/411548380.db2.gz MFZIIJMGEBRKPQ-TZMCWYRMSA-N 1 0 237.293 3.656 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@]34C[C@@H]3CCC4)cc21 ZINC000657551999 411548304 /nfs/dbraw/zinc/54/83/04/411548304.db2.gz MOKREACKCRKXSO-LRDDRELGSA-N 1 0 240.350 3.509 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@]34C[C@H]3CCC4)cc21 ZINC000657552000 411548081 /nfs/dbraw/zinc/54/80/81/411548081.db2.gz MOKREACKCRKXSO-MLGOLLRUSA-N 1 0 240.350 3.509 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657552018 411548035 /nfs/dbraw/zinc/54/80/35/411548035.db2.gz QFUVNEUVUCKMMJ-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1ccc(Cl)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657552024 411548421 /nfs/dbraw/zinc/54/84/21/411548421.db2.gz QFUVNEUVUCKMMJ-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO c1cc(C[NH2+][C@@]23C[C@@H]2CCC3)cc(C2CC2)c1 ZINC000657552080 411548166 /nfs/dbraw/zinc/54/81/66/411548166.db2.gz NLIGHKBASBKNEJ-HOTGVXAUSA-N 1 0 227.351 3.596 20 0 BHADRO c1cc(C[NH2+][C@]23C[C@H]2CCC3)cc(C2CC2)c1 ZINC000657552083 411548246 /nfs/dbraw/zinc/54/82/46/411548246.db2.gz NLIGHKBASBKNEJ-HZPDHXFCSA-N 1 0 227.351 3.596 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657552097 411548102 /nfs/dbraw/zinc/54/81/02/411548102.db2.gz QUOKTJCHNZIYMA-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1c(Cl)cccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657552103 411548264 /nfs/dbraw/zinc/54/82/64/411548264.db2.gz QUOKTJCHNZIYMA-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000657552174 411548059 /nfs/dbraw/zinc/54/80/59/411548059.db2.gz RAUOHCHWAMRWRT-IWAUEBOVSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000657552176 411548178 /nfs/dbraw/zinc/54/81/78/411548178.db2.gz RAUOHCHWAMRWRT-IXMWWTPESA-N 1 0 249.304 3.510 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657552965 411548541 /nfs/dbraw/zinc/54/85/41/411548541.db2.gz QYVLFIDKNKCYJP-GWCFXTLKSA-N 1 0 239.721 3.511 20 0 BHADRO Fc1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657552969 411548832 /nfs/dbraw/zinc/54/88/32/411548832.db2.gz QYVLFIDKNKCYJP-ZWNOBZJWSA-N 1 0 239.721 3.511 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000657553117 411548773 /nfs/dbraw/zinc/54/87/73/411548773.db2.gz UTLHBZCGQDNQTB-GDBMZVCRSA-N 1 0 245.366 3.506 20 0 BHADRO CC(C)Oc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000657553123 411548492 /nfs/dbraw/zinc/54/84/92/411548492.db2.gz UTLHBZCGQDNQTB-HOCLYGCPSA-N 1 0 245.366 3.506 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657553641 411549025 /nfs/dbraw/zinc/54/90/25/411549025.db2.gz VIKRDBHBIGZEBU-JSGCOSHPSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657553646 411549268 /nfs/dbraw/zinc/54/92/68/411549268.db2.gz VIKRDBHBIGZEBU-TZMCWYRMSA-N 1 0 235.758 3.681 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657553696 411549240 /nfs/dbraw/zinc/54/92/40/411549240.db2.gz WQIKBMSEXOFUJX-IUODEOHRSA-N 1 0 243.375 3.934 20 0 BHADRO c1sc2ccccc2c1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657553702 411549120 /nfs/dbraw/zinc/54/91/20/411549120.db2.gz WQIKBMSEXOFUJX-WFASDCNBSA-N 1 0 243.375 3.934 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657554224 411549063 /nfs/dbraw/zinc/54/90/63/411549063.db2.gz XZWIQJSCHNEVAE-GDBMZVCRSA-N 1 0 245.366 3.506 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657554229 411549116 /nfs/dbraw/zinc/54/91/16/411549116.db2.gz XZWIQJSCHNEVAE-HOCLYGCPSA-N 1 0 245.366 3.506 20 0 BHADRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000657554468 411549269 /nfs/dbraw/zinc/54/92/69/411549269.db2.gz ZSEXIVIQUYYEKF-JSGCOSHPSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1ccc(C[NH2+][C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000657554470 411549169 /nfs/dbraw/zinc/54/91/69/411549169.db2.gz ZSEXIVIQUYYEKF-TZMCWYRMSA-N 1 0 235.758 3.681 20 0 BHADRO C[C@H](C[NH2+][C@]12C[C@H]1CCC2)c1cccc(Cl)c1 ZINC000657554742 411549102 /nfs/dbraw/zinc/54/91/02/411549102.db2.gz ZCBMVGFDGONEGM-UXIGCNINSA-N 1 0 249.785 3.976 20 0 BHADRO C[C@H](C[NH2+][C@@]12C[C@@H]1CCC2)c1cccc(Cl)c1 ZINC000657554744 411549046 /nfs/dbraw/zinc/54/90/46/411549046.db2.gz ZCBMVGFDGONEGM-ZLDLUXBVSA-N 1 0 249.785 3.976 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657554820 411549613 /nfs/dbraw/zinc/54/96/13/411549613.db2.gz ZPPDJDUQYQROKM-JSGCOSHPSA-N 1 0 235.758 3.681 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657554824 411549366 /nfs/dbraw/zinc/54/93/66/411549366.db2.gz ZPPDJDUQYQROKM-TZMCWYRMSA-N 1 0 235.758 3.681 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1sccc1OC ZINC000657577373 411553963 /nfs/dbraw/zinc/55/39/63/411553963.db2.gz DDNPIMSZFSYWPE-JTQLQIEISA-N 1 0 241.400 3.671 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1sccc1OC ZINC000657577375 411553796 /nfs/dbraw/zinc/55/37/96/411553796.db2.gz DDNPIMSZFSYWPE-SNVBAGLBSA-N 1 0 241.400 3.671 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000657577585 411553865 /nfs/dbraw/zinc/55/38/65/411553865.db2.gz FPODOUMHBAPHPM-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000657577586 411553929 /nfs/dbraw/zinc/55/39/29/411553929.db2.gz FPODOUMHBAPHPM-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000657577952 411554250 /nfs/dbraw/zinc/55/42/50/411554250.db2.gz HPICCECWQVYMBC-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000657577953 411554049 /nfs/dbraw/zinc/55/40/49/411554049.db2.gz HPICCECWQVYMBC-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000657577993 411553961 /nfs/dbraw/zinc/55/39/61/411553961.db2.gz IGXDBGXNUOCBTG-GHMZBOCLSA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000657577994 411553829 /nfs/dbraw/zinc/55/38/29/411553829.db2.gz IGXDBGXNUOCBTG-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000657577995 411554213 /nfs/dbraw/zinc/55/42/13/411554213.db2.gz IGXDBGXNUOCBTG-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000657577996 411553756 /nfs/dbraw/zinc/55/37/56/411553756.db2.gz IGXDBGXNUOCBTG-WDEREUQCSA-N 1 0 238.350 3.696 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](C)C(C)(C)CC)s1 ZINC000657578866 411554262 /nfs/dbraw/zinc/55/42/62/411554262.db2.gz MOCNLFFFIMJJGH-JTQLQIEISA-N 1 0 240.416 3.620 20 0 BHADRO CCc1ncc(C[NH2+][C@H](C)C(C)(C)CC)s1 ZINC000657578867 411553855 /nfs/dbraw/zinc/55/38/55/411553855.db2.gz MOCNLFFFIMJJGH-SNVBAGLBSA-N 1 0 240.416 3.620 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000657578945 411553948 /nfs/dbraw/zinc/55/39/48/411553948.db2.gz NYCKLKCRPXIMLG-LLVKDONJSA-N 1 0 209.333 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000657578946 411553730 /nfs/dbraw/zinc/55/37/30/411553730.db2.gz NYCKLKCRPXIMLG-NSHDSACASA-N 1 0 209.333 3.502 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000657580812 411554741 /nfs/dbraw/zinc/55/47/41/411554741.db2.gz YEBDQXHVVTYAIF-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000657580813 411554396 /nfs/dbraw/zinc/55/43/96/411554396.db2.gz YEBDQXHVVTYAIF-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H]1C[C@H]1C ZINC000657584850 411556516 /nfs/dbraw/zinc/55/65/16/411556516.db2.gz JWLJNIAGSIRKHR-GYSYKLTISA-N 1 0 229.323 3.567 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1C[C@H]1C ZINC000657584853 411556728 /nfs/dbraw/zinc/55/67/28/411556728.db2.gz JWLJNIAGSIRKHR-JTNHKYCSSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H]1C[C@H]1C ZINC000657584854 411556474 /nfs/dbraw/zinc/55/64/74/411556474.db2.gz JWLJNIAGSIRKHR-SUNKGSAMSA-N 1 0 229.323 3.567 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1C[C@H]1C ZINC000657584856 411557491 /nfs/dbraw/zinc/55/74/91/411557491.db2.gz JWLJNIAGSIRKHR-UHIISALHSA-N 1 0 229.323 3.567 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1ccnc2ccccc12 ZINC000657585780 411557427 /nfs/dbraw/zinc/55/74/27/411557427.db2.gz ALMCSZMSQBMMDH-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1ccnc2ccccc12 ZINC000657585782 411557464 /nfs/dbraw/zinc/55/74/64/411557464.db2.gz ALMCSZMSQBMMDH-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000657586398 411557308 /nfs/dbraw/zinc/55/73/08/411557308.db2.gz IOYZBPGTCYCSMS-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000657586400 411557212 /nfs/dbraw/zinc/55/72/12/411557212.db2.gz IOYZBPGTCYCSMS-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1nccc2ccccc21 ZINC000657586404 411557407 /nfs/dbraw/zinc/55/74/07/411557407.db2.gz IROHPUQJIKTITR-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1nccc2ccccc21 ZINC000657586406 411557211 /nfs/dbraw/zinc/55/72/11/411557211.db2.gz IROHPUQJIKTITR-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1ccc2cnccc2c1 ZINC000657586485 411557483 /nfs/dbraw/zinc/55/74/83/411557483.db2.gz IUSNZNSSSRTUHO-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1ccc2cnccc2c1 ZINC000657586486 411557326 /nfs/dbraw/zinc/55/73/26/411557326.db2.gz IUSNZNSSSRTUHO-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000657586540 411557320 /nfs/dbraw/zinc/55/73/20/411557320.db2.gz KAACNSRALZDAJZ-LLVKDONJSA-N 1 0 240.416 3.792 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000657586541 411557291 /nfs/dbraw/zinc/55/72/91/411557291.db2.gz KAACNSRALZDAJZ-NSHDSACASA-N 1 0 240.416 3.792 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cnc(C2CC2)s1 ZINC000657586821 411557225 /nfs/dbraw/zinc/55/72/25/411557225.db2.gz MLILERITMHDCOH-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cnc(C2CC2)s1 ZINC000657586822 411557256 /nfs/dbraw/zinc/55/72/56/411557256.db2.gz MLILERITMHDCOH-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cccc2cnccc21 ZINC000657586861 411557746 /nfs/dbraw/zinc/55/77/46/411557746.db2.gz NDMIBZLTYDCMHV-CYBMUJFWSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cccc2cnccc21 ZINC000657586862 411557842 /nfs/dbraw/zinc/55/78/42/411557842.db2.gz NDMIBZLTYDCMHV-ZDUSSCGKSA-N 1 0 242.366 3.761 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1csc(C2CC2)n1 ZINC000657586910 411558064 /nfs/dbraw/zinc/55/80/64/411558064.db2.gz NLICRTMFHGTAPO-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1csc(C2CC2)n1 ZINC000657586911 411558087 /nfs/dbraw/zinc/55/80/87/411558087.db2.gz NLICRTMFHGTAPO-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cc2ccncc2s1 ZINC000657587035 411557774 /nfs/dbraw/zinc/55/77/74/411557774.db2.gz PBFQXABCYSMIFD-LLVKDONJSA-N 1 0 248.395 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cc2ccncc2s1 ZINC000657587036 411557920 /nfs/dbraw/zinc/55/79/20/411557920.db2.gz PBFQXABCYSMIFD-NSHDSACASA-N 1 0 248.395 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1scnc1C1CC1 ZINC000657587430 411557960 /nfs/dbraw/zinc/55/79/60/411557960.db2.gz UZPVWYIGMGWSRC-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1scnc1C1CC1 ZINC000657587431 411557803 /nfs/dbraw/zinc/55/78/03/411557803.db2.gz UZPVWYIGMGWSRC-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO C[C@H]1C[C@H](C[NH2+]C2CCSCC2)C[C@@H](C)C1 ZINC000657589285 411555689 /nfs/dbraw/zinc/55/56/89/411555689.db2.gz HFVLHGZPFNVFLQ-ITGUQSILSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@@H]1CC(C[NH2+]C2CCSCC2)C[C@@H](C)C1 ZINC000657589286 411555901 /nfs/dbraw/zinc/55/59/01/411555901.db2.gz HFVLHGZPFNVFLQ-RYUDHWBXSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]1CC(C[NH2+]C2CCSCC2)C[C@H](C)C1 ZINC000657589287 411556145 /nfs/dbraw/zinc/55/61/45/411556145.db2.gz HFVLHGZPFNVFLQ-VXGBXAGGSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1F ZINC000657614574 411563678 /nfs/dbraw/zinc/56/36/78/411563678.db2.gz GBDPNUSOZSVVKF-HNNXBMFYSA-N 1 0 246.329 3.641 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1F ZINC000657614575 411563869 /nfs/dbraw/zinc/56/38/69/411563869.db2.gz GBDPNUSOZSVVKF-OAHLLOKOSA-N 1 0 246.329 3.641 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC1)c1ccccc1F ZINC000657614991 411563589 /nfs/dbraw/zinc/56/35/89/411563589.db2.gz LRGWFFOBUKSMPA-AWEZNQCLSA-N 1 0 221.319 3.522 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC1)c1ccccc1F ZINC000657614993 411564011 /nfs/dbraw/zinc/56/40/11/411564011.db2.gz LRGWFFOBUKSMPA-CQSZACIVSA-N 1 0 221.319 3.522 20 0 BHADRO CC(C)[C@H](NCc1ccco1)c1ccccc1F ZINC000657616056 411563919 /nfs/dbraw/zinc/56/39/19/411563919.db2.gz VCNHIUBOUXTOBV-HNNXBMFYSA-N 1 0 247.313 3.906 20 0 BHADRO CC(C)[C@@H](NCc1ccco1)c1ccccc1F ZINC000657616062 411563635 /nfs/dbraw/zinc/56/36/35/411563635.db2.gz VCNHIUBOUXTOBV-OAHLLOKOSA-N 1 0 247.313 3.906 20 0 BHADRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccs1 ZINC000657616838 411564648 /nfs/dbraw/zinc/56/46/48/411564648.db2.gz UILZKCPGIGXBLJ-XHDPSFHLSA-N 1 0 243.375 3.566 20 0 BHADRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccsc1 ZINC000657617146 411564662 /nfs/dbraw/zinc/56/46/62/411564662.db2.gz YKIRWQCYYQXXEB-XHDPSFHLSA-N 1 0 243.375 3.566 20 0 BHADRO Cc1sccc1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000657625776 411565764 /nfs/dbraw/zinc/56/57/64/411565764.db2.gz GMBQMMFMBVEXGW-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000657626429 411566064 /nfs/dbraw/zinc/56/60/64/411566064.db2.gz WIBAEHOAGUHWJJ-UHFFFAOYSA-N 1 0 243.350 3.749 20 0 BHADRO CC(C)(C)OCCC[NH2+]C1CCCCCC1 ZINC000657637664 411567664 /nfs/dbraw/zinc/56/76/64/411567664.db2.gz LQVDENSMZPVAHK-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1cccc(C[NH2+]CCCOC(C)(C)C)c1C ZINC000657638495 411568291 /nfs/dbraw/zinc/56/82/91/411568291.db2.gz TVUDNYFAPQUWJI-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCCOC(C)(C)C ZINC000657639122 411568141 /nfs/dbraw/zinc/56/81/41/411568141.db2.gz VGQIXKXCEKJNES-UHFFFAOYSA-N 1 0 249.398 3.598 20 0 BHADRO CC(C)(C)OCCC[NH2+]C1CCC2(CC2)CC1 ZINC000657639448 411566507 /nfs/dbraw/zinc/56/65/07/411566507.db2.gz XXUGTRBHLHNEGJ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)CS1 ZINC000657643688 411568323 /nfs/dbraw/zinc/56/83/23/411568323.db2.gz XQQSIPMQZOEHAJ-CORIIIEPSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)CS1 ZINC000657643689 411568410 /nfs/dbraw/zinc/56/84/10/411568410.db2.gz XQQSIPMQZOEHAJ-NJZAAPMLSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC(C)(C)F)o1 ZINC000657644242 411568425 /nfs/dbraw/zinc/56/84/25/411568425.db2.gz BHFDXUULBWRZJK-CMPLNLGQSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC(C)(C)F)o1 ZINC000657644243 411568123 /nfs/dbraw/zinc/56/81/23/411568123.db2.gz BHFDXUULBWRZJK-JQWIXIFHSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC(C)(C)F)o1 ZINC000657644244 411568113 /nfs/dbraw/zinc/56/81/13/411568113.db2.gz BHFDXUULBWRZJK-PWSUYJOCSA-N 1 0 239.334 3.631 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC(C)(C)F)o1 ZINC000657644245 411568071 /nfs/dbraw/zinc/56/80/71/411568071.db2.gz BHFDXUULBWRZJK-ZYHUDNBSSA-N 1 0 239.334 3.631 20 0 BHADRO Cc1cc(C)cc(C[NH2+]CCC(C)(C)F)c1 ZINC000657644298 411568318 /nfs/dbraw/zinc/56/83/18/411568318.db2.gz DNYNUAHAZPDZRI-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO CCC1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000657644398 411568342 /nfs/dbraw/zinc/56/83/42/411568342.db2.gz IFLUBOINGRVBAP-UHFFFAOYSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccccc1Cl ZINC000657644415 411568408 /nfs/dbraw/zinc/56/84/08/411568408.db2.gz JANHKUSZLHYZRN-UHFFFAOYSA-N 1 0 229.726 3.568 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)F)cc1C ZINC000657644438 411568338 /nfs/dbraw/zinc/56/83/38/411568338.db2.gz JYBVJLXVKJRKOR-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cccc(Cl)c1 ZINC000657644448 411568175 /nfs/dbraw/zinc/56/81/75/411568175.db2.gz KCQLQFHQSGPZKS-UHFFFAOYSA-N 1 0 229.726 3.568 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cc2ccccc2o1 ZINC000657644480 411568389 /nfs/dbraw/zinc/56/83/89/411568389.db2.gz LIYSVCZRVSRTTH-UHFFFAOYSA-N 1 0 235.302 3.661 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)(C)F)cc1 ZINC000657644483 411568147 /nfs/dbraw/zinc/56/81/47/411568147.db2.gz LKFYRZLESOYNIU-UHFFFAOYSA-N 1 0 241.375 3.636 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(Cl)s1 ZINC000657644488 411568224 /nfs/dbraw/zinc/56/82/24/411568224.db2.gz LNICVAKCMYDWGK-UHFFFAOYSA-N 1 0 235.755 3.629 20 0 BHADRO Cc1ccc(C[NH2+]CCC(C)(C)F)c(C)c1 ZINC000657644519 411568320 /nfs/dbraw/zinc/56/83/20/411568320.db2.gz MTSWYLZVMWDOJY-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO Cc1ccc(C)c(C[NH2+]CCC(C)(C)F)c1 ZINC000657644533 411568207 /nfs/dbraw/zinc/56/82/07/411568207.db2.gz NBBFWDDVAARHTA-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO Cc1cccc(C[NH2+]CCC(C)(C)F)c1C ZINC000657644587 411568351 /nfs/dbraw/zinc/56/83/51/411568351.db2.gz PSIHXELFXVXOGH-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000657644684 411568334 /nfs/dbraw/zinc/56/83/34/411568334.db2.gz SQOKDXATSUWRKE-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1c(F)cccc1Cl ZINC000657644685 411568402 /nfs/dbraw/zinc/56/84/02/411568402.db2.gz SQYNEDILQKHCPO-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC(C)(C)F ZINC000657644710 411568036 /nfs/dbraw/zinc/56/80/36/411568036.db2.gz TWCBVENMVCEOQF-ACCUITESSA-N 1 0 235.346 3.818 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC(C)(C)F ZINC000657644712 411568255 /nfs/dbraw/zinc/56/82/55/411568255.db2.gz TWCBVENMVCEOQF-QBFSEMIESA-N 1 0 235.346 3.818 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cscc1Cl ZINC000657644751 411568354 /nfs/dbraw/zinc/56/83/54/411568354.db2.gz CFQRDSUDPVEEGN-UHFFFAOYSA-N 1 0 235.755 3.629 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644754 411568411 /nfs/dbraw/zinc/56/84/11/411568411.db2.gz CGRSYRPIFXURFD-GHMZBOCLSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644755 411568257 /nfs/dbraw/zinc/56/82/57/411568257.db2.gz CGRSYRPIFXURFD-MNOVXSKESA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644756 411568380 /nfs/dbraw/zinc/56/83/80/411568380.db2.gz CGRSYRPIFXURFD-QWRGUYRKSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644757 411568400 /nfs/dbraw/zinc/56/84/00/411568400.db2.gz CGRSYRPIFXURFD-WDEREUQCSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000657644798 411569061 /nfs/dbraw/zinc/56/90/61/411569061.db2.gz DWPLBYCVPWFKMQ-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000657644799 411568717 /nfs/dbraw/zinc/56/87/17/411568717.db2.gz DWPLBYCVPWFKMQ-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000657644800 411569014 /nfs/dbraw/zinc/56/90/14/411569014.db2.gz DWPLBYCVPWFKMQ-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000657644801 411568953 /nfs/dbraw/zinc/56/89/53/411568953.db2.gz DWPLBYCVPWFKMQ-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccsc1Cl ZINC000657644810 411569149 /nfs/dbraw/zinc/56/91/49/411569149.db2.gz FFDQLRQZKTWQCB-UHFFFAOYSA-N 1 0 235.755 3.629 20 0 BHADRO CC[C@H](C[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000657644860 411568708 /nfs/dbraw/zinc/56/87/08/411568708.db2.gz FMXDVHDCLDCOFA-CYBMUJFWSA-N 1 0 237.362 3.908 20 0 BHADRO CC[C@@H](C[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000657644863 411568940 /nfs/dbraw/zinc/56/89/40/411568940.db2.gz FMXDVHDCLDCOFA-ZDUSSCGKSA-N 1 0 237.362 3.908 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC(C)(C)F ZINC000657644878 411568682 /nfs/dbraw/zinc/56/86/82/411568682.db2.gz GCDRYKFPDFRSMQ-CYBMUJFWSA-N 1 0 237.362 3.654 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC(C)(C)F ZINC000657644879 411569038 /nfs/dbraw/zinc/56/90/38/411569038.db2.gz GCDRYKFPDFRSMQ-ZDUSSCGKSA-N 1 0 237.362 3.654 20 0 BHADRO CC(C)(F)CC[NH2+]C1CCC(C)(C)CC1 ZINC000657644881 411568643 /nfs/dbraw/zinc/56/86/43/411568643.db2.gz GCMHHVKGDIOOLZ-UHFFFAOYSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)C[C@@H](C)C1 ZINC000657644882 411568564 /nfs/dbraw/zinc/56/85/64/411568564.db2.gz GDTAMUFWSQENAH-GDNZZTSVSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]1CC([NH2+]CCC(C)(C)F)C[C@H](C)C1 ZINC000657644883 411569080 /nfs/dbraw/zinc/56/90/80/411569080.db2.gz GDTAMUFWSQENAH-GHMZBOCLSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC([NH2+]CCC(C)(C)F)C[C@@H](C)C1 ZINC000657644884 411569044 /nfs/dbraw/zinc/56/90/44/411569044.db2.gz GDTAMUFWSQENAH-QWRGUYRKSA-N 1 0 215.356 3.539 20 0 BHADRO CCc1ccc(C[NH2+]CCC(C)(C)F)s1 ZINC000657644914 411569035 /nfs/dbraw/zinc/56/90/35/411569035.db2.gz HAJINYKUPGHRJZ-UHFFFAOYSA-N 1 0 229.364 3.538 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc2occc2c1 ZINC000657644940 411568618 /nfs/dbraw/zinc/56/86/18/411568618.db2.gz HJNZLDZCRIUUCL-UHFFFAOYSA-N 1 0 235.302 3.661 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000657645027 411569105 /nfs/dbraw/zinc/56/91/05/411569105.db2.gz YDKTVROWIOFRLZ-UHFFFAOYSA-N 1 0 229.726 3.568 20 0 BHADRO CC(C)(F)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000657645172 411568892 /nfs/dbraw/zinc/56/88/92/411568892.db2.gz MNINOFHBLCMABU-UHFFFAOYSA-N 1 0 237.362 3.692 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccccc1C1CC1 ZINC000657645179 411568680 /nfs/dbraw/zinc/56/86/80/411568680.db2.gz MRNZRNFUIRORNZ-UHFFFAOYSA-N 1 0 235.346 3.792 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000657645221 411568903 /nfs/dbraw/zinc/56/89/03/411568903.db2.gz ODOLDJOVIWNMSB-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657645226 411568886 /nfs/dbraw/zinc/56/88/86/411568886.db2.gz OGXZBGRAXTZHIO-ARJAWSKDSA-N 1 0 239.309 3.567 20 0 BHADRO CC(C)(F)CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657645227 411569184 /nfs/dbraw/zinc/56/91/84/411569184.db2.gz OGXZBGRAXTZHIO-ONEGZZNKSA-N 1 0 239.309 3.567 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(F)cc1Cl ZINC000657645233 411568828 /nfs/dbraw/zinc/56/88/28/411568828.db2.gz OLMHZHPFMDUFLW-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1coc2ccccc12 ZINC000657645240 411568703 /nfs/dbraw/zinc/56/87/03/411568703.db2.gz PBTYSRICTYTYMY-UHFFFAOYSA-N 1 0 235.302 3.661 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cc(Cl)ccc1F ZINC000657645270 411569082 /nfs/dbraw/zinc/56/90/82/411569082.db2.gz QARBEAJXCQKIRW-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000657645287 411569192 /nfs/dbraw/zinc/56/91/92/411569192.db2.gz QSVHCDCRFVWPIL-UHFFFAOYSA-N 1 0 245.288 3.852 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)F)c1ccc(F)cc1 ZINC000657645288 411568981 /nfs/dbraw/zinc/56/89/81/411568981.db2.gz QTDVIANBRBRDRI-LLVKDONJSA-N 1 0 241.325 3.657 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)F)c1ccc(F)cc1 ZINC000657645289 411569063 /nfs/dbraw/zinc/56/90/63/411569063.db2.gz QTDVIANBRBRDRI-NSHDSACASA-N 1 0 241.325 3.657 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)F)c(C)s1 ZINC000657645299 411568569 /nfs/dbraw/zinc/56/85/69/411568569.db2.gz RAYMGADQUGBYST-UHFFFAOYSA-N 1 0 229.364 3.593 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+]CCC(C)(C)F ZINC000657645300 411568641 /nfs/dbraw/zinc/56/86/41/411568641.db2.gz RDZRWXFMFHFKLA-UHFFFAOYSA-N 1 0 249.329 3.969 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1sccc1Cl ZINC000657645316 411568571 /nfs/dbraw/zinc/56/85/71/411568571.db2.gz RRCOJSJJXZMSSZ-UHFFFAOYSA-N 1 0 235.755 3.629 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)C[C@@H]1C ZINC000657645402 411568677 /nfs/dbraw/zinc/56/86/77/411568677.db2.gz UWYWBGDFRXFWOP-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)C[C@H]1C ZINC000657645403 411568631 /nfs/dbraw/zinc/56/86/31/411568631.db2.gz UWYWBGDFRXFWOP-IJLUTSLNSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)C[C@H]1C ZINC000657645404 411568721 /nfs/dbraw/zinc/56/87/21/411568721.db2.gz UWYWBGDFRXFWOP-UTUOFQBUSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)C[C@@H]1C ZINC000657645405 411568938 /nfs/dbraw/zinc/56/89/38/411568938.db2.gz UWYWBGDFRXFWOP-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cccc(Cl)c1F ZINC000657645420 411569102 /nfs/dbraw/zinc/56/91/02/411569102.db2.gz VMHZXFDUUJEYDV-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000657645430 411568888 /nfs/dbraw/zinc/56/88/88/411568888.db2.gz VVKVKNBWZGQNBV-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000657645451 411569016 /nfs/dbraw/zinc/56/90/16/411569016.db2.gz XAAAMTWAOTZWEZ-UHFFFAOYSA-N 1 0 247.716 3.707 20 0 BHADRO CSc1ccc(C[NH2+]CCC(C)(C)F)s1 ZINC000657645452 411568756 /nfs/dbraw/zinc/56/87/56/411568756.db2.gz XAGFPEWKXGRBOU-UHFFFAOYSA-N 1 0 247.404 3.698 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCC(C)(C)F ZINC000657645464 411568710 /nfs/dbraw/zinc/56/87/10/411568710.db2.gz XJONQTBDWHTNBP-UHFFFAOYSA-N 1 0 223.335 3.531 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000657645512 411568769 /nfs/dbraw/zinc/56/87/69/411568769.db2.gz YVMHGLPILPNFTP-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000657645513 411569065 /nfs/dbraw/zinc/56/90/65/411569065.db2.gz YVMHGLPILPNFTP-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657645709 411569494 /nfs/dbraw/zinc/56/94/94/411569494.db2.gz FQVOXDXGXQYJGZ-KBPBESRZSA-N 1 0 235.346 3.518 20 0 BHADRO Cc1ccc2cc(C[NH2+]CCC(C)(C)F)[nH]c2c1 ZINC000657645756 411569605 /nfs/dbraw/zinc/56/96/05/411569605.db2.gz HVJVIFBOXMTMCL-UHFFFAOYSA-N 1 0 248.345 3.704 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]CCC(C)(C)F)cc21 ZINC000657646034 411569309 /nfs/dbraw/zinc/56/93/09/411569309.db2.gz RXWKVYGKZWAYKN-UHFFFAOYSA-N 1 0 248.345 3.704 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000657646036 411569285 /nfs/dbraw/zinc/56/92/85/411569285.db2.gz SBWDKKFMUVSISO-UHFFFAOYSA-N 1 0 235.346 3.792 20 0 BHADRO CC(C)(F)CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000657646230 411569248 /nfs/dbraw/zinc/56/92/48/411569248.db2.gz ZHVPNQXCABNURI-UHFFFAOYSA-N 1 0 235.346 3.792 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCc1ccoc1 ZINC000657652335 411569741 /nfs/dbraw/zinc/56/97/41/411569741.db2.gz INOSTHDYKLOUAS-KAMYIIQDSA-N 1 0 241.334 3.515 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCc1ccoc1 ZINC000657652336 411569952 /nfs/dbraw/zinc/56/99/52/411569952.db2.gz INOSTHDYKLOUAS-SDNWHVSQSA-N 1 0 241.334 3.515 20 0 BHADRO Cc1cc(Cl)ccc1C[NH2+]CCc1ccoc1 ZINC000657652749 411570177 /nfs/dbraw/zinc/57/01/77/411570177.db2.gz DGGLYYTUZGBZAC-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccoc2)cc1Cl ZINC000657652755 411570309 /nfs/dbraw/zinc/57/03/09/411570309.db2.gz DJRBHTDXMOTYAG-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccoc2)ccc1Cl ZINC000657653028 411570452 /nfs/dbraw/zinc/57/04/52/411570452.db2.gz GZLCSYJTGQGUKY-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO CC[C@@H](C[NH2+]CCc1ccoc1)c1ccccc1 ZINC000657654520 411571086 /nfs/dbraw/zinc/57/10/86/411571086.db2.gz UYRZNUFAOAZOIN-HNNXBMFYSA-N 1 0 243.350 3.606 20 0 BHADRO CC[C@H](C[NH2+]CCc1ccoc1)c1ccccc1 ZINC000657654522 411570885 /nfs/dbraw/zinc/57/08/85/411570885.db2.gz UYRZNUFAOAZOIN-OAHLLOKOSA-N 1 0 243.350 3.606 20 0 BHADRO Cc1ccc(C[NH2+]CCc2ccoc2)c(Cl)c1 ZINC000657654680 411571292 /nfs/dbraw/zinc/57/12/92/411571292.db2.gz YERGELHJZHAZSO-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+]CCc2ccoc2)c1 ZINC000657654683 411570897 /nfs/dbraw/zinc/57/08/97/411570897.db2.gz YGEPSJDXFMZRLI-UHFFFAOYSA-N 1 0 249.741 3.574 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000657657900 411571938 /nfs/dbraw/zinc/57/19/38/411571938.db2.gz UWZWYRINHHTCLU-GMXVVIOVSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000657657911 411571783 /nfs/dbraw/zinc/57/17/83/411571783.db2.gz UWZWYRINHHTCLU-MDZLAQPJSA-N 1 0 243.341 3.590 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657663466 411576491 /nfs/dbraw/zinc/57/64/91/411576491.db2.gz CSLSIRCEMCSHQE-AVGNSLFASA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657663469 411576334 /nfs/dbraw/zinc/57/63/34/411576334.db2.gz CSLSIRCEMCSHQE-RWMBFGLXSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657663473 411576380 /nfs/dbraw/zinc/57/63/80/411576380.db2.gz CSLSIRCEMCSHQE-XQQFMLRXSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657663476 411576443 /nfs/dbraw/zinc/57/64/43/411576443.db2.gz CSLSIRCEMCSHQE-YNEHKIRRSA-N 1 0 243.341 3.614 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657663979 411576432 /nfs/dbraw/zinc/57/64/32/411576432.db2.gz GYXHXWDNELNHNK-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657663982 411576431 /nfs/dbraw/zinc/57/64/31/411576431.db2.gz GYXHXWDNELNHNK-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657663985 411576732 /nfs/dbraw/zinc/57/67/32/411576732.db2.gz GYXHXWDNELNHNK-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657663988 411576472 /nfs/dbraw/zinc/57/64/72/411576472.db2.gz GYXHXWDNELNHNK-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(C[NH2+]CC2CCCCCC2)CC1(F)F ZINC000657664250 411577160 /nfs/dbraw/zinc/57/71/60/411577160.db2.gz IHYKBLVMBKUAQJ-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@@]1(C[NH2+]CC2CCCCCC2)CC1(F)F ZINC000657664253 411577381 /nfs/dbraw/zinc/57/73/81/411577381.db2.gz IHYKBLVMBKUAQJ-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCC(C)(C)CC2)CC1(F)F ZINC000657664282 411577262 /nfs/dbraw/zinc/57/72/62/411577262.db2.gz GONGUJVJTKMNCO-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1(F)F ZINC000657664284 411577043 /nfs/dbraw/zinc/57/70/43/411577043.db2.gz GONGUJVJTKMNCO-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC(C)(C)CC2)CC1(F)F ZINC000657664286 411577277 /nfs/dbraw/zinc/57/72/77/411577277.db2.gz GONGUJVJTKMNCO-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1(F)F ZINC000657664289 411577061 /nfs/dbraw/zinc/57/70/61/411577061.db2.gz GONGUJVJTKMNCO-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO Clc1ccc(C[NH2+]CCCC2CCC2)o1 ZINC000657664343 411577218 /nfs/dbraw/zinc/57/72/18/411577218.db2.gz HCBMVUCHNPOTNU-UHFFFAOYSA-N 1 0 227.735 3.603 20 0 BHADRO C[C@]1(C[NH2+]C2CCC(C)(C)CC2)CC1(F)F ZINC000657664717 411577131 /nfs/dbraw/zinc/57/71/31/411577131.db2.gz LACTWFFTAIYMDF-GFCCVEGCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(C[NH2+]C2CCC(C)(C)CC2)CC1(F)F ZINC000657664719 411577413 /nfs/dbraw/zinc/57/74/13/411577413.db2.gz LACTWFFTAIYMDF-LBPRGKRZSA-N 1 0 231.330 3.590 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657664735 411577472 /nfs/dbraw/zinc/57/74/72/411577472.db2.gz IRDDJLXPMYNQNN-CYZMBNFOSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657664736 411577167 /nfs/dbraw/zinc/57/71/67/411577167.db2.gz IRDDJLXPMYNQNN-DRZSPHRISA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657664737 411576970 /nfs/dbraw/zinc/57/69/70/411576970.db2.gz IRDDJLXPMYNQNN-UHTWSYAYSA-N 1 0 243.341 3.614 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657664738 411576997 /nfs/dbraw/zinc/57/69/97/411576997.db2.gz IRDDJLXPMYNQNN-WCFLWFBJSA-N 1 0 243.341 3.614 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657665438 411576996 /nfs/dbraw/zinc/57/69/96/411576996.db2.gz MEDILRARPXLHJG-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657665440 411577203 /nfs/dbraw/zinc/57/72/03/411577203.db2.gz MEDILRARPXLHJG-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657665442 411577181 /nfs/dbraw/zinc/57/71/81/411577181.db2.gz MEDILRARPXLHJG-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657665444 411577326 /nfs/dbraw/zinc/57/73/26/411577326.db2.gz MEDILRARPXLHJG-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CCC([NH2+]CCCC2CCC2)CC1 ZINC000657665600 411577246 /nfs/dbraw/zinc/57/72/46/411577246.db2.gz FFDPXTXDEJHZET-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO COCc1ccc(C[NH2+]CCCC2CCC2)cc1 ZINC000657665844 411577774 /nfs/dbraw/zinc/57/77/74/411577774.db2.gz HXDIOTLLCVZYBG-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657665925 411577947 /nfs/dbraw/zinc/57/79/47/411577947.db2.gz PYBRBVMCRBKKPX-BPCQOVAHSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657665927 411577631 /nfs/dbraw/zinc/57/76/31/411577631.db2.gz PYBRBVMCRBKKPX-WXRRBKDZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C(C[NH2+]C[C@@]1(C)CC1(F)F)C(C)C ZINC000657665955 411577923 /nfs/dbraw/zinc/57/79/23/411577923.db2.gz NUHKAZZINMAXTH-GFCCVEGCSA-N 1 0 233.346 3.550 20 0 BHADRO CC(C)C(C[NH2+]C[C@]1(C)CC1(F)F)C(C)C ZINC000657665960 411578002 /nfs/dbraw/zinc/57/80/02/411578002.db2.gz NUHKAZZINMAXTH-LBPRGKRZSA-N 1 0 233.346 3.550 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667056 411573215 /nfs/dbraw/zinc/57/32/15/411573215.db2.gz XHPKOJRFZUESMH-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667058 411573197 /nfs/dbraw/zinc/57/31/97/411573197.db2.gz XHPKOJRFZUESMH-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667059 411573216 /nfs/dbraw/zinc/57/32/16/411573216.db2.gz XHPKOJRFZUESMH-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667061 411573387 /nfs/dbraw/zinc/57/33/87/411573387.db2.gz XHPKOJRFZUESMH-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667724 411573409 /nfs/dbraw/zinc/57/34/09/411573409.db2.gz XSPJOBJPHCTMRP-AGIUHOORSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667726 411573431 /nfs/dbraw/zinc/57/34/31/411573431.db2.gz XSPJOBJPHCTMRP-FRRDWIJNSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667728 411573314 /nfs/dbraw/zinc/57/33/14/411573314.db2.gz XSPJOBJPHCTMRP-JHJVBQTASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667729 411573090 /nfs/dbraw/zinc/57/30/90/411573090.db2.gz XSPJOBJPHCTMRP-UPJWGTAASA-N 1 0 245.357 3.836 20 0 BHADRO COCc1cccc(C[NH2+]CCCC2CCC2)c1 ZINC000657667988 411573848 /nfs/dbraw/zinc/57/38/48/411573848.db2.gz VZJIIXDTPULDHS-UHFFFAOYSA-N 1 0 247.382 3.503 20 0 BHADRO Cc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)cs1 ZINC000657669079 411573851 /nfs/dbraw/zinc/57/38/51/411573851.db2.gz CCOHWWURJDHLDT-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)cs1 ZINC000657669080 411573987 /nfs/dbraw/zinc/57/39/87/411573987.db2.gz CCOHWWURJDHLDT-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000657669081 411574027 /nfs/dbraw/zinc/57/40/27/411574027.db2.gz CCRWDMJTLTZJJO-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000657669082 411573786 /nfs/dbraw/zinc/57/37/86/411573786.db2.gz CCRWDMJTLTZJJO-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000657669232 411573867 /nfs/dbraw/zinc/57/38/67/411573867.db2.gz CCRWDMJTLTZJJO-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000657669234 411574085 /nfs/dbraw/zinc/57/40/85/411574085.db2.gz CCRWDMJTLTZJJO-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C[C@H]1C ZINC000657669641 411574698 /nfs/dbraw/zinc/57/46/98/411574698.db2.gz FWPCTCUGUUJGOE-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C[C@@H]1C ZINC000657669642 411574565 /nfs/dbraw/zinc/57/45/65/411574565.db2.gz FWPCTCUGUUJGOE-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[C@H]1C ZINC000657669643 411574475 /nfs/dbraw/zinc/57/44/75/411574475.db2.gz FWPCTCUGUUJGOE-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[C@@H]1C ZINC000657669644 411574383 /nfs/dbraw/zinc/57/43/83/411574383.db2.gz FWPCTCUGUUJGOE-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO CCCC1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657669694 411574519 /nfs/dbraw/zinc/57/45/19/411574519.db2.gz OGHMQGXAYXXDJX-BPCQOVAHSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657669695 411574315 /nfs/dbraw/zinc/57/43/15/411574315.db2.gz OGHMQGXAYXXDJX-WXRRBKDZSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccccc1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000657669927 411574765 /nfs/dbraw/zinc/57/47/65/411574765.db2.gz BHRYAIVTJMBZKA-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccccc1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000657669928 411574423 /nfs/dbraw/zinc/57/44/23/411574423.db2.gz BHRYAIVTJMBZKA-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[C@@H](C)C1 ZINC000657670176 411574350 /nfs/dbraw/zinc/57/43/50/411574350.db2.gz KUAQMARFWYABMY-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C[C@@H](C)C1 ZINC000657670177 411574776 /nfs/dbraw/zinc/57/47/76/411574776.db2.gz KUAQMARFWYABMY-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CC([NH2+]CC[C@]2(C)CC2(F)F)C[C@H](C)C1 ZINC000657670178 411574777 /nfs/dbraw/zinc/57/47/77/411574777.db2.gz KUAQMARFWYABMY-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cccc(C[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000657670179 411574735 /nfs/dbraw/zinc/57/47/35/411574735.db2.gz COQTXBIMSKLPPL-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO C[C@H]1CC([NH2+]CC[C@@]2(C)CC2(F)F)C[C@H](C)C1 ZINC000657670180 411574738 /nfs/dbraw/zinc/57/47/38/411574738.db2.gz KUAQMARFWYABMY-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1cccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000657670181 411574551 /nfs/dbraw/zinc/57/45/51/411574551.db2.gz COQTXBIMSKLPPL-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccsc1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000657670201 411574784 /nfs/dbraw/zinc/57/47/84/411574784.db2.gz CYUGODALXLQGFI-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccsc1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000657670203 411574731 /nfs/dbraw/zinc/57/47/31/411574731.db2.gz CYUGODALXLQGFI-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO CCC1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657670285 411574645 /nfs/dbraw/zinc/57/46/45/411574645.db2.gz FHFQSIVQJJKWQF-BPCQOVAHSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657670286 411574596 /nfs/dbraw/zinc/57/45/96/411574596.db2.gz FHFQSIVQJJKWQF-WXRRBKDZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657670300 411574706 /nfs/dbraw/zinc/57/47/06/411574706.db2.gz SSTCFRFDRFBOGD-HTAVTVPLSA-N 1 0 231.330 3.590 20 0 BHADRO CCC1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657670301 411574725 /nfs/dbraw/zinc/57/47/25/411574725.db2.gz SSTCFRFDRFBOGD-MCIGGMRASA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(CC[NH2+]C2CCC3(CC3)CC2)CC1(F)F ZINC000657670750 411574420 /nfs/dbraw/zinc/57/44/20/411574420.db2.gz OWYITOBUZINXAC-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+]C2CCC3(CC3)CC2)CC1(F)F ZINC000657670751 411574445 /nfs/dbraw/zinc/57/44/45/411574445.db2.gz OWYITOBUZINXAC-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657670771 411574798 /nfs/dbraw/zinc/57/47/98/411574798.db2.gz PBEWPQSSJAYCFF-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657670772 411574688 /nfs/dbraw/zinc/57/46/88/411574688.db2.gz PBEWPQSSJAYCFF-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657670773 411574690 /nfs/dbraw/zinc/57/46/90/411574690.db2.gz PBEWPQSSJAYCFF-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC(C)(C)C2)CC1(F)F ZINC000657670774 411574677 /nfs/dbraw/zinc/57/46/77/411574677.db2.gz PBEWPQSSJAYCFF-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657671149 411575385 /nfs/dbraw/zinc/57/53/85/411575385.db2.gz LAFOMFVRKOOVLK-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657671150 411575237 /nfs/dbraw/zinc/57/52/37/411575237.db2.gz LAFOMFVRKOOVLK-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657671151 411575393 /nfs/dbraw/zinc/57/53/93/411575393.db2.gz LAFOMFVRKOOVLK-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657671152 411575382 /nfs/dbraw/zinc/57/53/82/411575382.db2.gz LAFOMFVRKOOVLK-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)s1 ZINC000657671173 411575405 /nfs/dbraw/zinc/57/54/05/411575405.db2.gz LNRJGFZOODWTKD-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)s1 ZINC000657671174 411575281 /nfs/dbraw/zinc/57/52/81/411575281.db2.gz LNRJGFZOODWTKD-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO C[C@@]1(CC[NH2+]CC2CCCCC2)CC1(F)F ZINC000657671297 411575299 /nfs/dbraw/zinc/57/52/99/411575299.db2.gz NAECXBRDNMCLAP-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@]1(CC[NH2+]CC2CCCCC2)CC1(F)F ZINC000657671298 411575096 /nfs/dbraw/zinc/57/50/96/411575096.db2.gz NAECXBRDNMCLAP-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@@]1(CC[NH2+]C2CCC(C)(C)CC2)CC1(F)F ZINC000657671372 411575109 /nfs/dbraw/zinc/57/51/09/411575109.db2.gz OHJZCZKCVRATFV-CYBMUJFWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]1(CC[NH2+]C2CCC(C)(C)CC2)CC1(F)F ZINC000657671374 411575232 /nfs/dbraw/zinc/57/52/32/411575232.db2.gz OHJZCZKCVRATFV-ZDUSSCGKSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+]C2CCCCCC2)CC1(F)F ZINC000657671375 411575248 /nfs/dbraw/zinc/57/52/48/411575248.db2.gz OHXGAYRBKUIYGP-GFCCVEGCSA-N 1 0 231.330 3.734 20 0 BHADRO C[C@]1(CC[NH2+]C2CCCCCC2)CC1(F)F ZINC000657671377 411575018 /nfs/dbraw/zinc/57/50/18/411575018.db2.gz OHXGAYRBKUIYGP-LBPRGKRZSA-N 1 0 231.330 3.734 20 0 BHADRO CC1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657671482 411574944 /nfs/dbraw/zinc/57/49/44/411574944.db2.gz PKUBJGAIKYBXBW-HTAVTVPLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657671483 411575107 /nfs/dbraw/zinc/57/51/07/411575107.db2.gz PKUBJGAIKYBXBW-MCIGGMRASA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1 ZINC000657671734 411575378 /nfs/dbraw/zinc/57/53/78/411575378.db2.gz RVOWGFAGKYCEOA-CYBMUJFWSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1 ZINC000657671736 411575080 /nfs/dbraw/zinc/57/50/80/411575080.db2.gz RVOWGFAGKYCEOA-ZDUSSCGKSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1sccc1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000657671747 411575342 /nfs/dbraw/zinc/57/53/42/411575342.db2.gz YHGUCHIFDNCVSF-LLVKDONJSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1sccc1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000657671749 411575234 /nfs/dbraw/zinc/57/52/34/411575234.db2.gz YHGUCHIFDNCVSF-NSHDSACASA-N 1 0 245.338 3.582 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657672023 411575320 /nfs/dbraw/zinc/57/53/20/411575320.db2.gz WWUCFOXJWSTXDC-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657672024 411574997 /nfs/dbraw/zinc/57/49/97/411574997.db2.gz WWUCFOXJWSTXDC-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657672025 411575147 /nfs/dbraw/zinc/57/51/47/411575147.db2.gz WWUCFOXJWSTXDC-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657672026 411575046 /nfs/dbraw/zinc/57/50/46/411575046.db2.gz WWUCFOXJWSTXDC-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]Cc1cscc1Cl)C1CC1 ZINC000657679833 411580650 /nfs/dbraw/zinc/58/06/50/411580650.db2.gz FVPCEFOAEKJTEM-LLVKDONJSA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@H]([NH2+]Cc1cscc1Cl)C1CC1 ZINC000657679835 411580455 /nfs/dbraw/zinc/58/04/55/411580455.db2.gz FVPCEFOAEKJTEM-NSHDSACASA-N 1 0 229.776 3.680 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000657679879 411580825 /nfs/dbraw/zinc/58/08/25/411580825.db2.gz HHAKZHRVNLMZDW-BLLLJJGKSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000657679880 411580583 /nfs/dbraw/zinc/58/05/83/411580583.db2.gz HHAKZHRVNLMZDW-LRDDRELGSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000657679881 411580586 /nfs/dbraw/zinc/58/05/86/411580586.db2.gz HHAKZHRVNLMZDW-MLGOLLRUSA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000657679882 411580560 /nfs/dbraw/zinc/58/05/60/411580560.db2.gz HHAKZHRVNLMZDW-WBMJQRKESA-N 1 0 247.382 3.577 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2ccncc2s1)C1CC1 ZINC000657680246 411580515 /nfs/dbraw/zinc/58/05/15/411580515.db2.gz IGBCSBFWZFTOIZ-CYBMUJFWSA-N 1 0 246.379 3.575 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2ccncc2s1)C1CC1 ZINC000657680247 411580632 /nfs/dbraw/zinc/58/06/32/411580632.db2.gz IGBCSBFWZFTOIZ-ZDUSSCGKSA-N 1 0 246.379 3.575 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000657680258 411580568 /nfs/dbraw/zinc/58/05/68/411580568.db2.gz IOULDKCDPDTGLT-AWEZNQCLSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000657680259 411580691 /nfs/dbraw/zinc/58/06/91/411580691.db2.gz IOULDKCDPDTGLT-CQSZACIVSA-N 1 0 229.323 3.711 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc2cccnc2c1)C1CC1 ZINC000657680281 411580658 /nfs/dbraw/zinc/58/06/58/411580658.db2.gz IDMOXZBLJWTMHG-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc2cccnc2c1)C1CC1 ZINC000657680283 411580395 /nfs/dbraw/zinc/58/03/95/411580395.db2.gz IDMOXZBLJWTMHG-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000657680346 411580830 /nfs/dbraw/zinc/58/08/30/411580830.db2.gz IVMLVMANCMSMJA-ABCZVMIZSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000657680347 411580841 /nfs/dbraw/zinc/58/08/41/411580841.db2.gz IVMLVMANCMSMJA-BWPKMQGJSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000657680348 411580490 /nfs/dbraw/zinc/58/04/90/411580490.db2.gz IVMLVMANCMSMJA-JZIMQPMSSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000657680349 411580781 /nfs/dbraw/zinc/58/07/81/411580781.db2.gz IVMLVMANCMSMJA-NHZBNJEXSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C1CC1 ZINC000657680733 411580770 /nfs/dbraw/zinc/58/07/70/411580770.db2.gz LXDQGNHFTDCOPU-LLVKDONJSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]Cc1ncc(C(C)C)s1)C1CC1 ZINC000657680735 411580397 /nfs/dbraw/zinc/58/03/97/411580397.db2.gz LXDQGNHFTDCOPU-NSHDSACASA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000657681719 411580699 /nfs/dbraw/zinc/58/06/99/411580699.db2.gz RQLYMVYTPHCIOR-HNNXBMFYSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000657681721 411580764 /nfs/dbraw/zinc/58/07/64/411580764.db2.gz RQLYMVYTPHCIOR-OAHLLOKOSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000657682116 411577638 /nfs/dbraw/zinc/57/76/38/411577638.db2.gz VHMMCQHQWQHZBR-HNNXBMFYSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000657682117 411577776 /nfs/dbraw/zinc/57/77/76/411577776.db2.gz VHMMCQHQWQHZBR-OAHLLOKOSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(SC)s1)C1CC1 ZINC000657682375 411578833 /nfs/dbraw/zinc/57/88/33/411578833.db2.gz YEVIXKGVPINGMZ-LLVKDONJSA-N 1 0 241.425 3.748 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(SC)s1)C1CC1 ZINC000657682378 411578618 /nfs/dbraw/zinc/57/86/18/411578618.db2.gz YEVIXKGVPINGMZ-NSHDSACASA-N 1 0 241.425 3.748 20 0 BHADRO CCc1ccc(C[NH2+][C@@](C)(CC)C2CC2)o1 ZINC000657686824 411578374 /nfs/dbraw/zinc/57/83/74/411578374.db2.gz CZDCVQSSCRFLMT-AWEZNQCLSA-N 1 0 221.344 3.510 20 0 BHADRO CCc1ccc(C[NH2+][C@](C)(CC)C2CC2)o1 ZINC000657686826 411578628 /nfs/dbraw/zinc/57/86/28/411578628.db2.gz CZDCVQSSCRFLMT-CQSZACIVSA-N 1 0 221.344 3.510 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccsc1C)C1CC1 ZINC000657688238 411578543 /nfs/dbraw/zinc/57/85/43/411578543.db2.gz JNUVPCIGKHTMEN-CYBMUJFWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccsc1C)C1CC1 ZINC000657688242 411578328 /nfs/dbraw/zinc/57/83/28/411578328.db2.gz JNUVPCIGKHTMEN-ZDUSSCGKSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000657688313 411578488 /nfs/dbraw/zinc/57/84/88/411578488.db2.gz KJTJJLGWJBGOIA-INIZCTEOSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000657688314 411578706 /nfs/dbraw/zinc/57/87/06/411578706.db2.gz KJTJJLGWJBGOIA-MRXNPFEDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc(COC)cc1)C1CC1 ZINC000657688385 411578481 /nfs/dbraw/zinc/57/84/81/411578481.db2.gz LBFZHDXMYYLPNZ-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc(COC)cc1)C1CC1 ZINC000657688387 411578841 /nfs/dbraw/zinc/57/88/41/411578841.db2.gz LBFZHDXMYYLPNZ-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@](C)([NH2+]Cc1cc2ccccc2[nH]1)C1CC1 ZINC000657688996 411579020 /nfs/dbraw/zinc/57/90/20/411579020.db2.gz MIYNTFCVJADRFE-INIZCTEOSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cc2ccccc2[nH]1)C1CC1 ZINC000657688998 411579065 /nfs/dbraw/zinc/57/90/65/411579065.db2.gz MIYNTFCVJADRFE-MRXNPFEDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@](C)([NH2+]Cc1cccc(F)c1F)C1CC1 ZINC000657689051 411579190 /nfs/dbraw/zinc/57/91/90/411579190.db2.gz NCBIIQIWPFHENO-AWEZNQCLSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cccc(F)c1F)C1CC1 ZINC000657689053 411579248 /nfs/dbraw/zinc/57/92/48/411579248.db2.gz NCBIIQIWPFHENO-CQSZACIVSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@](C)([NH2+]Cc1csc(C)c1)C1CC1 ZINC000657689055 411579436 /nfs/dbraw/zinc/57/94/36/411579436.db2.gz NCNKDPGFEAYENS-CYBMUJFWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1csc(C)c1)C1CC1 ZINC000657689057 411579474 /nfs/dbraw/zinc/57/94/74/411579474.db2.gz NCNKDPGFEAYENS-ZDUSSCGKSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000657689096 411579141 /nfs/dbraw/zinc/57/91/41/411579141.db2.gz NXQRPQNXMLHXTE-INIZCTEOSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000657689097 411579421 /nfs/dbraw/zinc/57/94/21/411579421.db2.gz NXQRPQNXMLHXTE-MRXNPFEDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000657689196 411579259 /nfs/dbraw/zinc/57/92/59/411579259.db2.gz NNUUXDAMHHWTFH-GXTWGEPZSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@](C)([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000657689197 411579410 /nfs/dbraw/zinc/57/94/10/411579410.db2.gz NNUUXDAMHHWTFH-JSGCOSHPSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@](C)([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000657689198 411579043 /nfs/dbraw/zinc/57/90/43/411579043.db2.gz NNUUXDAMHHWTFH-OCCSQVGLSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@@](C)([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000657689199 411579200 /nfs/dbraw/zinc/57/92/00/411579200.db2.gz NNUUXDAMHHWTFH-TZMCWYRMSA-N 1 0 207.361 3.511 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000657689661 411579148 /nfs/dbraw/zinc/57/91/48/411579148.db2.gz PMMHWLFJKLRFEZ-AWEZNQCLSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000657689662 411579392 /nfs/dbraw/zinc/57/93/92/411579392.db2.gz PMMHWLFJKLRFEZ-CQSZACIVSA-N 1 0 239.309 3.633 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000657690053 411579380 /nfs/dbraw/zinc/57/93/80/411579380.db2.gz RWMRAHOGYMAFAJ-GFCCVEGCSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000657690056 411578950 /nfs/dbraw/zinc/57/89/50/411578950.db2.gz RWMRAHOGYMAFAJ-LBPRGKRZSA-N 1 0 227.735 3.601 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000657690087 411579468 /nfs/dbraw/zinc/57/94/68/411579468.db2.gz SHFMCXWKPUVNPL-INIZCTEOSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000657690090 411579430 /nfs/dbraw/zinc/57/94/30/411579430.db2.gz SHFMCXWKPUVNPL-MRXNPFEDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@](C)([NH2+]Cc1cccc(COC)c1)C1CC1 ZINC000657690125 411579032 /nfs/dbraw/zinc/57/90/32/411579032.db2.gz STHBEFPRVONUEV-INIZCTEOSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cccc(COC)c1)C1CC1 ZINC000657690127 411579498 /nfs/dbraw/zinc/57/94/98/411579498.db2.gz STHBEFPRVONUEV-MRXNPFEDSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@@](C)([NH2+]Cc1sccc1C)C1CC1 ZINC000657690341 411579062 /nfs/dbraw/zinc/57/90/62/411579062.db2.gz ULXFCXAVUWYLHN-CYBMUJFWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1sccc1C)C1CC1 ZINC000657690342 411578973 /nfs/dbraw/zinc/57/89/73/411578973.db2.gz ULXFCXAVUWYLHN-ZDUSSCGKSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccc(C)s1)C1CC1 ZINC000657690850 411579137 /nfs/dbraw/zinc/57/91/37/411579137.db2.gz XPWOVHVKVGBHBP-CYBMUJFWSA-N 1 0 223.385 3.725 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccc(C)s1)C1CC1 ZINC000657690853 411579447 /nfs/dbraw/zinc/57/94/47/411579447.db2.gz XPWOVHVKVGBHBP-ZDUSSCGKSA-N 1 0 223.385 3.725 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]CC1CCCCC1)CC2 ZINC000657691783 411579463 /nfs/dbraw/zinc/57/94/63/411579463.db2.gz JHNMSNHCNGLNTL-INIZCTEOSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]CC1CCCCC1)CC2 ZINC000657691784 411579204 /nfs/dbraw/zinc/57/92/04/411579204.db2.gz JHNMSNHCNGLNTL-MRXNPFEDSA-N 1 0 245.366 3.549 20 0 BHADRO c1csc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c1 ZINC000657713113 411586332 /nfs/dbraw/zinc/58/63/32/411586332.db2.gz AGOGKTAZQATDTM-HUUCEWRRSA-N 1 0 243.375 3.784 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000657713385 411586532 /nfs/dbraw/zinc/58/65/32/411586532.db2.gz FOCBUQRLVBAYAN-HZPDHXFCSA-N 1 0 229.367 3.855 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)o1 ZINC000657713393 411586764 /nfs/dbraw/zinc/58/67/64/411586764.db2.gz FWHFXYSDXHIIDC-HZPDHXFCSA-N 1 0 241.334 3.624 20 0 BHADRO c1cc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)cs1 ZINC000657713888 411582748 /nfs/dbraw/zinc/58/27/48/411582748.db2.gz KSWDZXMWUMQXAD-HUUCEWRRSA-N 1 0 243.375 3.784 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713905 411582514 /nfs/dbraw/zinc/58/25/14/411582514.db2.gz LNZBUIAPQZRDSS-HUUCEWRRSA-N 1 0 241.334 3.624 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000657713916 411582243 /nfs/dbraw/zinc/58/22/43/411582243.db2.gz LRSADMGUWYHATG-ARLBYUKCSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000657713917 411582739 /nfs/dbraw/zinc/58/27/39/411582739.db2.gz LRSADMGUWYHATG-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000657713918 411582429 /nfs/dbraw/zinc/58/24/29/411582429.db2.gz LRSADMGUWYHATG-LCGIIJARSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000657713919 411582556 /nfs/dbraw/zinc/58/25/56/411582556.db2.gz LRSADMGUWYHATG-SLBVQIDZSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713938 411583878 /nfs/dbraw/zinc/58/38/78/411583878.db2.gz MGBFMZJNKRNNBV-BPLDGKMQSA-N 1 0 217.356 3.568 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714376 411586393 /nfs/dbraw/zinc/58/63/93/411586393.db2.gz XJSHRHVMMBQWAP-DMRZNYOFSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714377 411586653 /nfs/dbraw/zinc/58/66/53/411586653.db2.gz XJSHRHVMMBQWAP-DRPJVOAASA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714378 411586735 /nfs/dbraw/zinc/58/67/35/411586735.db2.gz XJSHRHVMMBQWAP-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714379 411586471 /nfs/dbraw/zinc/58/64/71/411586471.db2.gz XJSHRHVMMBQWAP-LCGIIJARSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000657715219 411586467 /nfs/dbraw/zinc/58/64/67/411586467.db2.gz INHYNTTXFBDHRW-CCECPURYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000657715221 411586530 /nfs/dbraw/zinc/58/65/30/411586530.db2.gz INHYNTTXFBDHRW-LKAFINOVSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000657715223 411586469 /nfs/dbraw/zinc/58/64/69/411586469.db2.gz INHYNTTXFBDHRW-UDUPFKKZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000657715225 411586367 /nfs/dbraw/zinc/58/63/67/411586367.db2.gz INHYNTTXFBDHRW-XHXGSEDSSA-N 1 0 229.367 3.567 20 0 BHADRO CC1(C[NH2+]C2CCC3(CC3(F)F)CC2)CCC1 ZINC000657715997 411586259 /nfs/dbraw/zinc/58/62/59/411586259.db2.gz FBWXRGJXACTRCR-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO CCC(CC)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657716156 411586668 /nfs/dbraw/zinc/58/66/68/411586668.db2.gz OJTZCUWIOMOIEQ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO FC1(F)CC12CCC([NH2+]C1CCCCC1)CC2 ZINC000657716176 411586687 /nfs/dbraw/zinc/58/66/87/411586687.db2.gz OYSKANBCUBIOLN-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657716835 411586932 /nfs/dbraw/zinc/58/69/32/411586932.db2.gz VKJLVBPMKJAXPM-HZPDHXFCSA-N 1 0 241.334 3.624 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000657716928 411587387 /nfs/dbraw/zinc/58/73/87/411587387.db2.gz LWPJMEUOTKBXNK-CQLXCSJHSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000657716929 411587382 /nfs/dbraw/zinc/58/73/82/411587382.db2.gz LWPJMEUOTKBXNK-GMKTYKIGSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000657716930 411587226 /nfs/dbraw/zinc/58/72/26/411587226.db2.gz LWPJMEUOTKBXNK-IGJPJIBNSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000657716931 411586977 /nfs/dbraw/zinc/58/69/77/411586977.db2.gz LWPJMEUOTKBXNK-QCXCNERSSA-N 1 0 243.341 3.733 20 0 BHADRO CC(C)(C)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717153 411587198 /nfs/dbraw/zinc/58/71/98/411587198.db2.gz WOWURDXVFMHDEZ-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H](C)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717276 411586945 /nfs/dbraw/zinc/58/69/45/411586945.db2.gz NOTBZUOCOARWRE-UNXYVOJBSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717277 411586949 /nfs/dbraw/zinc/58/69/49/411586949.db2.gz NOTBZUOCOARWRE-VOMCLLRMSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717336 411587319 /nfs/dbraw/zinc/58/73/19/411587319.db2.gz PEJXPLFVWAYWDD-HIFPTAJRSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717337 411587237 /nfs/dbraw/zinc/58/72/37/411587237.db2.gz PEJXPLFVWAYWDD-PNESKVBLSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717407 411587307 /nfs/dbraw/zinc/58/73/07/411587307.db2.gz XUEYJSAISVDLON-HIFPTAJRSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717410 411587232 /nfs/dbraw/zinc/58/72/32/411587232.db2.gz XUEYJSAISVDLON-PNESKVBLSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CCC[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717678 411587309 /nfs/dbraw/zinc/58/73/09/411587309.db2.gz QQZXYXSNXUVOSB-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@@H]1C[C@H]1C ZINC000657717684 411587367 /nfs/dbraw/zinc/58/73/67/411587367.db2.gz RBCKDKOOCVZPFX-BFCCFQBASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@@H]1C[C@H]1C ZINC000657717685 411586950 /nfs/dbraw/zinc/58/69/50/411586950.db2.gz RBCKDKOOCVZPFX-IJLVLRJLSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@H]1C[C@H]1C ZINC000657717686 411587013 /nfs/dbraw/zinc/58/70/13/411587013.db2.gz RBCKDKOOCVZPFX-LLDQHTGMSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@H]1C[C@H]1C ZINC000657717687 411587250 /nfs/dbraw/zinc/58/72/50/411587250.db2.gz RBCKDKOOCVZPFX-SRMYXAEUSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657718062 411587298 /nfs/dbraw/zinc/58/72/98/411587298.db2.gz XSKOYPGGGILGBS-CQLXCSJHSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657718063 411586925 /nfs/dbraw/zinc/58/69/25/411586925.db2.gz XSKOYPGGGILGBS-GMKTYKIGSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657718064 411587283 /nfs/dbraw/zinc/58/72/83/411587283.db2.gz XSKOYPGGGILGBS-IGJPJIBNSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657718065 411586965 /nfs/dbraw/zinc/58/69/65/411586965.db2.gz XSKOYPGGGILGBS-QCXCNERSSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000657733758 411587337 /nfs/dbraw/zinc/58/73/37/411587337.db2.gz NHRNVPXJEJBKRL-BSLXNSKLSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000657733759 411586948 /nfs/dbraw/zinc/58/69/48/411586948.db2.gz NHRNVPXJEJBKRL-HPEDKQMDSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000657733760 411586966 /nfs/dbraw/zinc/58/69/66/411586966.db2.gz NHRNVPXJEJBKRL-QPKOPYBWSA-N 1 0 249.785 3.832 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000657733761 411586980 /nfs/dbraw/zinc/58/69/80/411586980.db2.gz NHRNVPXJEJBKRL-RABLLNBGSA-N 1 0 249.785 3.832 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000657733971 411587378 /nfs/dbraw/zinc/58/73/78/411587378.db2.gz XQAVOTNUBOWMQW-ALYAQQCSSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000657733972 411587161 /nfs/dbraw/zinc/58/71/61/411587161.db2.gz XQAVOTNUBOWMQW-BPKGMFCQSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000657733973 411587003 /nfs/dbraw/zinc/58/70/03/411587003.db2.gz XQAVOTNUBOWMQW-MTSZKFMLSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000657733974 411587170 /nfs/dbraw/zinc/58/71/70/411587170.db2.gz XQAVOTNUBOWMQW-OVYGPGRDSA-N 1 0 241.378 3.711 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000657734028 411587627 /nfs/dbraw/zinc/58/76/27/411587627.db2.gz AYGPJECUEUVWPU-DABQJJPHSA-N 1 0 235.758 3.537 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000657734232 411587609 /nfs/dbraw/zinc/58/76/09/411587609.db2.gz HMIWGBSCTDMQPY-CLLJXQQHSA-N 1 0 237.293 3.512 20 0 BHADRO FC(F)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000657734233 411587786 /nfs/dbraw/zinc/58/77/86/411587786.db2.gz HMIWGBSCTDMQPY-ITGUQSILSA-N 1 0 237.293 3.512 20 0 BHADRO CC1(C)[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1(F)F ZINC000657738733 411588877 /nfs/dbraw/zinc/58/88/77/411588877.db2.gz NJMHEGFOKWRUEB-LLVKDONJSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+]C2CCC3(CC3)CC2)C1(F)F ZINC000657738735 411588672 /nfs/dbraw/zinc/58/86/72/411588672.db2.gz NJMHEGFOKWRUEB-NSHDSACASA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@@H](C[NH2+]C2CCCCCC2)C1(F)F ZINC000657739569 411588835 /nfs/dbraw/zinc/58/88/35/411588835.db2.gz ZKLMIXFVRPAIHS-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+]C2CCCCCC2)C1(F)F ZINC000657739570 411588942 /nfs/dbraw/zinc/58/89/42/411588942.db2.gz ZKLMIXFVRPAIHS-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)C1CCC(F)CC1 ZINC000657742828 411589416 /nfs/dbraw/zinc/58/94/16/411589416.db2.gz BCFIVKAYJXZVQP-UNXYVOJBSA-N 1 0 241.375 3.755 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)C1CCC(F)CC1 ZINC000657742829 411589776 /nfs/dbraw/zinc/58/97/76/411589776.db2.gz BCFIVKAYJXZVQP-VOMCLLRMSA-N 1 0 241.375 3.755 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)C1CCC(F)CC1 ZINC000657743003 411589344 /nfs/dbraw/zinc/58/93/44/411589344.db2.gz DIHMUFRKLYXJGK-PKSQDBQZSA-N 1 0 241.375 3.755 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)C1CCC(F)CC1 ZINC000657743006 411589370 /nfs/dbraw/zinc/58/93/70/411589370.db2.gz DIHMUFRKLYXJGK-QFWMXSHPSA-N 1 0 241.375 3.755 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000657743345 411589462 /nfs/dbraw/zinc/58/94/62/411589462.db2.gz HPQDTKIAZSZPLN-HIFPTAJRSA-N 1 0 239.334 3.594 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000657743355 411589546 /nfs/dbraw/zinc/58/95/46/411589546.db2.gz HPQDTKIAZSZPLN-PNESKVBLSA-N 1 0 239.334 3.594 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C2CCC(F)CC2)o1 ZINC000657744189 411589706 /nfs/dbraw/zinc/58/97/06/411589706.db2.gz MXCNKJQKCDMBSL-HIFPTAJRSA-N 1 0 239.334 3.594 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C2CCC(F)CC2)o1 ZINC000657744190 411589470 /nfs/dbraw/zinc/58/94/70/411589470.db2.gz MXCNKJQKCDMBSL-PNESKVBLSA-N 1 0 239.334 3.594 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000657744635 411589440 /nfs/dbraw/zinc/58/94/40/411589440.db2.gz PREBLWSRFLIBHP-IALDZJHCSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000657744638 411589374 /nfs/dbraw/zinc/58/93/74/411589374.db2.gz PREBLWSRFLIBHP-OKZRHMCRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000657744639 411589366 /nfs/dbraw/zinc/58/93/66/411589366.db2.gz PREBLWSRFLIBHP-ZFDZMSFRSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000657744642 411589500 /nfs/dbraw/zinc/58/95/00/411589500.db2.gz PREBLWSRFLIBHP-ZSVAQUKISA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CCC(F)CC1 ZINC000657745306 411589618 /nfs/dbraw/zinc/58/96/18/411589618.db2.gz SUEIMJUVKBRFMF-DNDYEEKYSA-N 1 0 239.378 3.849 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CCC(F)CC1 ZINC000657745307 411589684 /nfs/dbraw/zinc/58/96/84/411589684.db2.gz SUEIMJUVKBRFMF-HESLUPGFSA-N 1 0 239.378 3.849 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CCC(F)CC1 ZINC000657745308 411589350 /nfs/dbraw/zinc/58/93/50/411589350.db2.gz SUEIMJUVKBRFMF-LMRVLLHPSA-N 1 0 239.378 3.849 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CCC(F)CC1 ZINC000657745309 411589395 /nfs/dbraw/zinc/58/93/95/411589395.db2.gz SUEIMJUVKBRFMF-ZUJMUWTESA-N 1 0 239.378 3.849 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)C1CCC(F)CC1 ZINC000657745332 411589423 /nfs/dbraw/zinc/58/94/23/411589423.db2.gz UGKWXXBZQHOJIC-LMWSTFAQSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)C1CCC(F)CC1 ZINC000657745333 411589449 /nfs/dbraw/zinc/58/94/49/411589449.db2.gz UGKWXXBZQHOJIC-XGNXJENSSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1)C1CCC(F)CC1 ZINC000657746167 411589435 /nfs/dbraw/zinc/58/94/35/411589435.db2.gz ZZMWYZZNFAQRHF-GRTSSRMGSA-N 1 0 235.346 3.693 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1)C1CCC(F)CC1 ZINC000657746168 411589430 /nfs/dbraw/zinc/58/94/30/411589430.db2.gz ZZMWYZZNFAQRHF-LRVUVFPRSA-N 1 0 235.346 3.693 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)[C@H]1C[C@H]1C ZINC000657748048 411592062 /nfs/dbraw/zinc/59/20/62/411592062.db2.gz QZMXOXOQYCPNMC-LQSDDFGISA-N 1 0 227.367 3.537 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1C[C@H]1C ZINC000657748050 411592252 /nfs/dbraw/zinc/59/22/52/411592252.db2.gz QZMXOXOQYCPNMC-OXPXWGEWSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)C1CCC(F)CC1 ZINC000657748051 411591946 /nfs/dbraw/zinc/59/19/46/411591946.db2.gz QZMXOXOQYCPNMC-VQAXNMFYSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1C[C@H]1C ZINC000657748053 411592583 /nfs/dbraw/zinc/59/25/83/411592583.db2.gz QZMXOXOQYCPNMC-ZSMPWGRJSA-N 1 0 227.367 3.537 20 0 BHADRO c1c2ccccc2oc1C[NH2+]CC1=CCCC1 ZINC000657748313 411592598 /nfs/dbraw/zinc/59/25/98/411592598.db2.gz GXQAKUPDMPEVDZ-UHFFFAOYSA-N 1 0 227.307 3.633 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2=CCCC2)o1 ZINC000657748647 411592018 /nfs/dbraw/zinc/59/20/18/411592018.db2.gz JXLSODDUKOVEJP-BXUZGUMPSA-N 1 0 231.339 3.603 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2=CCCC2)o1 ZINC000657748648 411592379 /nfs/dbraw/zinc/59/23/79/411592379.db2.gz JXLSODDUKOVEJP-FZMZJTMJSA-N 1 0 231.339 3.603 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2=CCCC2)o1 ZINC000657748649 411592221 /nfs/dbraw/zinc/59/22/21/411592221.db2.gz JXLSODDUKOVEJP-RISCZKNCSA-N 1 0 231.339 3.603 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2=CCCC2)o1 ZINC000657748650 411592145 /nfs/dbraw/zinc/59/21/45/411592145.db2.gz JXLSODDUKOVEJP-SMDDNHRTSA-N 1 0 231.339 3.603 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000657748927 411592529 /nfs/dbraw/zinc/59/25/29/411592529.db2.gz ZYPSPKQVAYHWSX-JKDOVBDQSA-N 1 0 239.334 3.594 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000657748928 411591920 /nfs/dbraw/zinc/59/19/20/411591920.db2.gz ZYPSPKQVAYHWSX-PWQPVHBWSA-N 1 0 239.334 3.594 20 0 BHADRO CSc1ccc(C[NH2+]CC2=CCCC2)cc1 ZINC000657749345 491102941 /nfs/dbraw/zinc/10/29/41/491102941.db2.gz WDESODKDSNQQOQ-UHFFFAOYSA-N 1 0 233.380 3.608 20 0 BHADRO Clc1cscc1C[NH2+]CC1=CCCC1 ZINC000657749393 411592604 /nfs/dbraw/zinc/59/26/04/411592604.db2.gz AVPZXTBGGUYBOQ-UHFFFAOYSA-N 1 0 227.760 3.601 20 0 BHADRO Cc1ccc2cc(C[NH2+]CC3=CCCC3)[nH]c2c1 ZINC000657749471 411592140 /nfs/dbraw/zinc/59/21/40/411592140.db2.gz DZLXNDGNMRCJMR-UHFFFAOYSA-N 1 0 240.350 3.676 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CC2=CCCC2)c(F)c1 ZINC000657749512 411592015 /nfs/dbraw/zinc/59/20/15/411592015.db2.gz FXWJRWOLYQCFGV-UTCJRWHESA-N 1 0 249.304 3.678 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CC2=CCCC2)c(F)c1 ZINC000657749513 411592559 /nfs/dbraw/zinc/59/25/59/411592559.db2.gz FXWJRWOLYQCFGV-ZZXKWVIFSA-N 1 0 249.304 3.678 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]CC3=CCCC3)cc21 ZINC000657749624 411591930 /nfs/dbraw/zinc/59/19/30/411591930.db2.gz HIWMQYLUOGUKIJ-UHFFFAOYSA-N 1 0 240.350 3.676 20 0 BHADRO c1nc(C2CCC2)sc1C[NH2+]CC1=CCCC1 ZINC000657749628 411592339 /nfs/dbraw/zinc/59/23/39/411592339.db2.gz HNBVOBBIQOSYGO-UHFFFAOYSA-N 1 0 248.395 3.611 20 0 BHADRO CSc1ccc(C[NH2+]CC2=CCCC2)s1 ZINC000657749653 411592064 /nfs/dbraw/zinc/59/20/64/411592064.db2.gz IGPQZPDRRYSXKV-UHFFFAOYSA-N 1 0 239.409 3.670 20 0 BHADRO FC(F)c1ccc(C[NH2+]CC2=CCCC2)cc1 ZINC000657749719 411591974 /nfs/dbraw/zinc/59/19/74/411591974.db2.gz KCZSKNJUDXNZFU-UHFFFAOYSA-N 1 0 237.293 3.824 20 0 BHADRO c1cc2cc(C[NH2+]CC3=CCCC3)ccc2o1 ZINC000657749856 411592307 /nfs/dbraw/zinc/59/23/07/411592307.db2.gz QIUBVDNWXAILLB-UHFFFAOYSA-N 1 0 227.307 3.633 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CC2=CCCC2)cc1 ZINC000657749860 411592316 /nfs/dbraw/zinc/59/23/16/411592316.db2.gz QWSPHQZENPIQEH-UTCJRWHESA-N 1 0 231.314 3.539 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CC2=CCCC2)cc1 ZINC000657749861 411592349 /nfs/dbraw/zinc/59/23/49/411592349.db2.gz QWSPHQZENPIQEH-ZZXKWVIFSA-N 1 0 231.314 3.539 20 0 BHADRO Cc1cc(C[NH2+]CC2=CCCC2)c(C)s1 ZINC000657749984 411592699 /nfs/dbraw/zinc/59/26/99/411592699.db2.gz WEOOJMQOJZGDIV-UHFFFAOYSA-N 1 0 221.369 3.565 20 0 BHADRO C[C@H](C[NH2+]CC1=CCCC1)c1ccc(F)cc1 ZINC000657750002 411592908 /nfs/dbraw/zinc/59/29/08/411592908.db2.gz WYTTXPYSKVDYLA-GFCCVEGCSA-N 1 0 233.330 3.629 20 0 BHADRO C[C@@H](C[NH2+]CC1=CCCC1)c1ccc(F)cc1 ZINC000657750003 411592789 /nfs/dbraw/zinc/59/27/89/411592789.db2.gz WYTTXPYSKVDYLA-LBPRGKRZSA-N 1 0 233.330 3.629 20 0 BHADRO c1oc2ccccc2c1C[NH2+]CC1=CCCC1 ZINC000657750012 411593278 /nfs/dbraw/zinc/59/32/78/411593278.db2.gz XIXJIBFLSOGHOU-UHFFFAOYSA-N 1 0 227.307 3.633 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CC2=CCCC2)cc1F ZINC000657750081 411593147 /nfs/dbraw/zinc/59/31/47/411593147.db2.gz ZNBFAEGLYOXXGX-UTCJRWHESA-N 1 0 249.304 3.678 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CC2=CCCC2)cc1F ZINC000657750082 411592957 /nfs/dbraw/zinc/59/29/57/411592957.db2.gz ZNBFAEGLYOXXGX-ZZXKWVIFSA-N 1 0 249.304 3.678 20 0 BHADRO Clc1ccsc1C[NH2+]CC1=CCCC1 ZINC000657750095 411593337 /nfs/dbraw/zinc/59/33/37/411593337.db2.gz ZXADSKTZTNZMQM-UHFFFAOYSA-N 1 0 227.760 3.601 20 0 BHADRO Cc1ncccc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000657753161 411590171 /nfs/dbraw/zinc/59/01/71/411590171.db2.gz ZIPYJAZGSBFDRB-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)s1 ZINC000657755206 411590060 /nfs/dbraw/zinc/59/00/60/411590060.db2.gz HNXRXHKBJHECPJ-UHFFFAOYSA-N 1 0 235.396 3.725 20 0 BHADRO CC([NH2+]C[C@@H]1CC=CCC1)(C1CC1)C1CC1 ZINC000657755226 411590411 /nfs/dbraw/zinc/59/04/11/411590411.db2.gz HUPZDLIBFLCPGH-GFCCVEGCSA-N 1 0 219.372 3.511 20 0 BHADRO CC([NH2+]C[C@H]1CC=CCC1)(C1CC1)C1CC1 ZINC000657755227 411590000 /nfs/dbraw/zinc/59/00/00/411590000.db2.gz HUPZDLIBFLCPGH-LBPRGKRZSA-N 1 0 219.372 3.511 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C1CC1)C1CC1 ZINC000657755591 411590243 /nfs/dbraw/zinc/59/02/43/411590243.db2.gz KWVBCUHOGIXCAQ-UHFFFAOYSA-N 1 0 235.396 3.725 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C2CC2)C2CC2)cs1 ZINC000657755634 411590374 /nfs/dbraw/zinc/59/03/74/411590374.db2.gz LIEWLCDFXORPTD-UHFFFAOYSA-N 1 0 235.396 3.725 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)o1 ZINC000657755834 411590092 /nfs/dbraw/zinc/59/00/92/411590092.db2.gz LTQSLJQQRUGIDQ-UHFFFAOYSA-N 1 0 233.355 3.510 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C1CC1)C1CC1 ZINC000657755949 411590019 /nfs/dbraw/zinc/59/00/19/411590019.db2.gz OXSNSSSQTGUOMR-UHFFFAOYSA-N 1 0 235.396 3.725 20 0 BHADRO CC([NH2+]C/C=C/c1ccccc1)(C1CC1)C1CC1 ZINC000657756594 411590112 /nfs/dbraw/zinc/59/01/12/411590112.db2.gz UXHXZJLFPGXGTH-VMPITWQZSA-N 1 0 241.378 3.868 20 0 BHADRO CC([NH2+]C/C=C\c1ccccc1)(C1CC1)C1CC1 ZINC000657756595 411590111 /nfs/dbraw/zinc/59/01/11/411590111.db2.gz UXHXZJLFPGXGTH-YVMONPNESA-N 1 0 241.378 3.868 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000657760287 411590760 /nfs/dbraw/zinc/59/07/60/411590760.db2.gz FKXBYYAGLOLLAL-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000657760288 411590728 /nfs/dbraw/zinc/59/07/28/411590728.db2.gz FKXBYYAGLOLLAL-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000657760821 411590949 /nfs/dbraw/zinc/59/09/49/411590949.db2.gz AADIIQRNWLCCID-AWEZNQCLSA-N 1 0 239.309 3.902 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000657760822 411591081 /nfs/dbraw/zinc/59/10/81/411591081.db2.gz AADIIQRNWLCCID-CQSZACIVSA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@]2(C)CC2(C)C)s1 ZINC000657760833 411590838 /nfs/dbraw/zinc/59/08/38/411590838.db2.gz AEMWEDOAOSJHBU-CYBMUJFWSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1cnc(C[NH2+][C@@]2(C)CC2(C)C)s1 ZINC000657760834 411590966 /nfs/dbraw/zinc/59/09/66/411590966.db2.gz AEMWEDOAOSJHBU-ZDUSSCGKSA-N 1 0 238.400 3.545 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1cccc2cccnc21 ZINC000657761125 411590744 /nfs/dbraw/zinc/59/07/44/411590744.db2.gz GEZMZWDPNLFONV-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1cccc2cccnc21 ZINC000657761127 411590582 /nfs/dbraw/zinc/59/05/82/411590582.db2.gz GEZMZWDPNLFONV-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1cc2ccncc2s1 ZINC000657761216 411590973 /nfs/dbraw/zinc/59/09/73/411590973.db2.gz GKPQVEPDJVKEBI-AWEZNQCLSA-N 1 0 246.379 3.575 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1cc2ccncc2s1 ZINC000657761217 411591044 /nfs/dbraw/zinc/59/10/44/411591044.db2.gz GKPQVEPDJVKEBI-CQSZACIVSA-N 1 0 246.379 3.575 20 0 BHADRO CSc1ccc(C[NH2+][C@]2(C)CC2(C)C)s1 ZINC000657761363 411591083 /nfs/dbraw/zinc/59/10/83/411591083.db2.gz JIYXSQRYIBPVJI-GFCCVEGCSA-N 1 0 241.425 3.748 20 0 BHADRO CSc1ccc(C[NH2+][C@@]2(C)CC2(C)C)s1 ZINC000657761364 411590598 /nfs/dbraw/zinc/59/05/98/411590598.db2.gz JIYXSQRYIBPVJI-LBPRGKRZSA-N 1 0 241.425 3.748 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000657762141 411591798 /nfs/dbraw/zinc/59/17/98/411591798.db2.gz WJCQDTUARYIHDU-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000657762143 411591707 /nfs/dbraw/zinc/59/17/07/411591707.db2.gz WJCQDTUARYIHDU-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1ccnc2ccccc12 ZINC000657762273 411591512 /nfs/dbraw/zinc/59/15/12/411591512.db2.gz ZIWLACNECCDESN-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccnc2ccccc12 ZINC000657762274 411591563 /nfs/dbraw/zinc/59/15/63/411591563.db2.gz ZIWLACNECCDESN-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)CC1([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000657773766 411593750 /nfs/dbraw/zinc/59/37/50/411593750.db2.gz CGZUNIVXSPLPNY-CYBMUJFWSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)CC1([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000657773767 411593773 /nfs/dbraw/zinc/59/37/73/411593773.db2.gz CGZUNIVXSPLPNY-ZDUSSCGKSA-N 1 0 207.361 3.511 20 0 BHADRO CC(C)CC1([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000657774330 411593764 /nfs/dbraw/zinc/59/37/64/411593764.db2.gz DKUGQDHOBNGFQU-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO Cc1cc(C[NH2+]C2(CC(C)C)CC2)cs1 ZINC000657774348 411594209 /nfs/dbraw/zinc/59/42/09/411594209.db2.gz FIGWAARGNQDFNU-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)CC1([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000657774769 411594463 /nfs/dbraw/zinc/59/44/63/411594463.db2.gz KJRVGBDICOLHFB-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO COCc1ccc(C[NH2+]C2(CC(C)C)CC2)cc1 ZINC000657774776 411594441 /nfs/dbraw/zinc/59/44/41/411594441.db2.gz KRBPWMCJKQMBOJ-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1sccc1C[NH2+]C1(CC(C)C)CC1 ZINC000657775253 411594351 /nfs/dbraw/zinc/59/43/51/411594351.db2.gz QDKDYVJRJZCTLR-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO CC(C)CC1([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000657775498 411594618 /nfs/dbraw/zinc/59/46/18/411594618.db2.gz QNJBOSPQTLHJKL-UHFFFAOYSA-N 1 0 227.735 3.601 20 0 BHADRO CC(C)CC1([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000657775996 411594658 /nfs/dbraw/zinc/59/46/58/411594658.db2.gz WPGLLBSRMOYERB-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO CC(C)CC1([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000657776250 411594203 /nfs/dbraw/zinc/59/42/03/411594203.db2.gz XXDFJPYDTBEWKJ-UHFFFAOYSA-N 1 0 242.366 3.836 20 0 BHADRO COCc1cccc(C[NH2+]C2(CC(C)C)CC2)c1 ZINC000657776284 411594325 /nfs/dbraw/zinc/59/43/25/411594325.db2.gz YKKALWHFDNPIJL-UHFFFAOYSA-N 1 0 247.382 3.501 20 0 BHADRO Cc1ccsc1C[NH2+]C1(CC(C)C)CC1 ZINC000657776813 411594691 /nfs/dbraw/zinc/59/46/91/411594691.db2.gz XUZJAZIRGUEBRS-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO Cc1ccc(C[NH2+]C2(CC(C)C)CC2)s1 ZINC000657776818 411594309 /nfs/dbraw/zinc/59/43/09/411594309.db2.gz YCGYSFJBNSLKRU-UHFFFAOYSA-N 1 0 223.385 3.725 20 0 BHADRO CCc1ccc(C[NH2+]CCCc2ccco2)s1 ZINC000657779662 411594398 /nfs/dbraw/zinc/59/43/98/411594398.db2.gz GYYCKTJMEUDEQN-UHFFFAOYSA-N 1 0 249.379 3.626 20 0 BHADRO Clc1cccc(C[NH2+]CCCc2ccco2)c1 ZINC000657779905 411597372 /nfs/dbraw/zinc/59/73/72/411597372.db2.gz JCAZGANYYIDNFA-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]CCCc1ccco1 ZINC000657780301 411597239 /nfs/dbraw/zinc/59/72/39/411597239.db2.gz PFLBXSHJBVGSSF-RUDMXATFSA-N 1 0 241.334 3.515 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]CCCc1ccco1 ZINC000657780302 411597691 /nfs/dbraw/zinc/59/76/91/411597691.db2.gz PFLBXSHJBVGSSF-WTKPLQERSA-N 1 0 241.334 3.515 20 0 BHADRO Clc1ccccc1C[NH2+]CCCc1ccco1 ZINC000657780430 411597601 /nfs/dbraw/zinc/59/76/01/411597601.db2.gz SJLSBIDQYCSEPY-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1ccccc1F ZINC000657781314 411597424 /nfs/dbraw/zinc/59/74/24/411597424.db2.gz DDACBXYNPOPLIA-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1ccccc1F ZINC000657781538 411597158 /nfs/dbraw/zinc/59/71/58/411597158.db2.gz DDACBXYNPOPLIA-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO c1coc(CCC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000657781667 411597246 /nfs/dbraw/zinc/59/72/46/411597246.db2.gz FXONAJNGKIHKDP-UHFFFAOYSA-N 1 0 233.355 3.525 20 0 BHADRO Cc1cc(C[NH2+]CCCc2ccco2)c(C)s1 ZINC000657783850 411595085 /nfs/dbraw/zinc/59/50/85/411595085.db2.gz YDRUJISOCVMQSS-UHFFFAOYSA-N 1 0 249.379 3.680 20 0 BHADRO c1cc(C[NH2+]C2CCC(C3CCC3)CC2)ccn1 ZINC000657784155 411594991 /nfs/dbraw/zinc/59/49/91/411594991.db2.gz NLTWQWBTOXEHSR-UHFFFAOYSA-N 1 0 244.382 3.530 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+]C1CCCCC1 ZINC000657793353 411598551 /nfs/dbraw/zinc/59/85/51/411598551.db2.gz KKMHTMASGUUOCU-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000657796055 411598261 /nfs/dbraw/zinc/59/82/61/411598261.db2.gz AVUBWPGOFIWAAB-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccco1 ZINC000657796056 411597969 /nfs/dbraw/zinc/59/79/69/411597969.db2.gz AVUBWPGOFIWAAB-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+]C3CC(C)(C)C3)cc21 ZINC000657801701 411599411 /nfs/dbraw/zinc/59/94/11/411599411.db2.gz DRWZMFCWCMIICL-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CC1(C)CC([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000657801855 411599642 /nfs/dbraw/zinc/59/96/42/411599642.db2.gz QXQRVCILJAHGOO-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC([NH2+]Cc2cscc2Cl)C1 ZINC000657801885 411599580 /nfs/dbraw/zinc/59/95/80/411599580.db2.gz LNINTHQFQAXGMO-UHFFFAOYSA-N 1 0 229.776 3.680 20 0 BHADRO CC1(C)CC([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657802164 411599759 /nfs/dbraw/zinc/59/97/59/411599759.db2.gz RNUXOBSCBUJAJJ-UHFFFAOYSA-N 1 0 246.379 3.575 20 0 BHADRO Cc1ccc2cc(C[NH2+]C3CC(C)(C)C3)[nH]c2c1 ZINC000657802166 411599751 /nfs/dbraw/zinc/59/97/51/411599751.db2.gz ROOGLJSDAMLLEV-UHFFFAOYSA-N 1 0 242.366 3.755 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657814406 411604973 /nfs/dbraw/zinc/60/49/73/411604973.db2.gz BEZKQFYZTUQWOI-GHMZBOCLSA-N 1 0 232.327 3.667 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657814407 411604852 /nfs/dbraw/zinc/60/48/52/411604852.db2.gz BEZKQFYZTUQWOI-MNOVXSKESA-N 1 0 232.327 3.667 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657814409 411604925 /nfs/dbraw/zinc/60/49/25/411604925.db2.gz BEZKQFYZTUQWOI-QWRGUYRKSA-N 1 0 232.327 3.667 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657814411 411604772 /nfs/dbraw/zinc/60/47/72/411604772.db2.gz BEZKQFYZTUQWOI-WDEREUQCSA-N 1 0 232.327 3.667 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657814673 411604775 /nfs/dbraw/zinc/60/47/75/411604775.db2.gz DABBUNROIQNSLM-KBPBESRZSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657814680 411604666 /nfs/dbraw/zinc/60/46/66/411604666.db2.gz DABBUNROIQNSLM-KGLIPLIRSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc(C(F)F)nc1 ZINC000657814719 411604811 /nfs/dbraw/zinc/60/48/11/411604811.db2.gz BUMARMWPBWPFKL-SECBINFHSA-N 1 0 240.297 3.612 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc(C(F)F)nc1 ZINC000657814722 411604663 /nfs/dbraw/zinc/60/46/63/411604663.db2.gz BUMARMWPBWPFKL-VIFPVBQESA-N 1 0 240.297 3.612 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657814808 411605023 /nfs/dbraw/zinc/60/50/23/411605023.db2.gz DABBUNROIQNSLM-UONOGXRCSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657814809 411604838 /nfs/dbraw/zinc/60/48/38/411604838.db2.gz DABBUNROIQNSLM-ZIAGYGMSSA-N 1 0 249.402 3.522 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCCC23CC3)CCCC1 ZINC000657814864 411604311 /nfs/dbraw/zinc/60/43/11/411604311.db2.gz DOXBLAIXMOABQX-AWEZNQCLSA-N 1 0 219.372 3.799 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCCC23CC3)CCCC1 ZINC000657814869 411604360 /nfs/dbraw/zinc/60/43/60/411604360.db2.gz DOXBLAIXMOABQX-CQSZACIVSA-N 1 0 219.372 3.799 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657814990 411604004 /nfs/dbraw/zinc/60/40/04/411604004.db2.gz BDNUOERYTYCKKY-NXEZZACHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657814993 411604340 /nfs/dbraw/zinc/60/43/40/411604340.db2.gz BDNUOERYTYCKKY-UWVGGRQHSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657814996 411604365 /nfs/dbraw/zinc/60/43/65/411604365.db2.gz BDNUOERYTYCKKY-VHSXEESVSA-N 1 0 234.368 3.745 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657814999 411604374 /nfs/dbraw/zinc/60/43/74/411604374.db2.gz BDNUOERYTYCKKY-ZJUUUORDSA-N 1 0 234.368 3.745 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000657815002 411604220 /nfs/dbraw/zinc/60/42/20/411604220.db2.gz BEMNTXPSGGKVSU-NFOMZHRRSA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC000657815005 411604112 /nfs/dbraw/zinc/60/41/12/411604112.db2.gz BEMNTXPSGGKVSU-WLYUNCDWSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCCn2nccc21 ZINC000657815046 411604049 /nfs/dbraw/zinc/60/40/49/411604049.db2.gz BPCZPCJBLNSJGH-KBPBESRZSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1CCCn2nccc21 ZINC000657815054 411604446 /nfs/dbraw/zinc/60/44/46/411604446.db2.gz BPCZPCJBLNSJGH-KGLIPLIRSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657815056 411604341 /nfs/dbraw/zinc/60/43/41/411604341.db2.gz BPCZPCJBLNSJGH-UONOGXRCSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657815059 411604397 /nfs/dbraw/zinc/60/43/97/411604397.db2.gz BPCZPCJBLNSJGH-ZIAGYGMSSA-N 1 0 249.402 3.524 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSCC2)[C@@H]1C ZINC000657815090 411604348 /nfs/dbraw/zinc/60/43/48/411604348.db2.gz GJWLYSQPNGTQGN-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSCC2)[C@H]1C ZINC000657815094 411604377 /nfs/dbraw/zinc/60/43/77/411604377.db2.gz GJWLYSQPNGTQGN-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)[C@H]1C ZINC000657815095 411604304 /nfs/dbraw/zinc/60/43/04/411604304.db2.gz GJWLYSQPNGTQGN-RQJABVFESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)[C@@H]1C ZINC000657815098 411604320 /nfs/dbraw/zinc/60/43/20/411604320.db2.gz GJWLYSQPNGTQGN-SYQHCUMBSA-N 1 0 241.444 3.686 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657815422 411605577 /nfs/dbraw/zinc/60/55/77/411605577.db2.gz GSYQQKGBTRJMKZ-NXEZZACHSA-N 1 0 242.313 3.858 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657815430 411605514 /nfs/dbraw/zinc/60/55/14/411605514.db2.gz GSYQQKGBTRJMKZ-UWVGGRQHSA-N 1 0 242.313 3.858 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657815431 411605551 /nfs/dbraw/zinc/60/55/51/411605551.db2.gz GSYQQKGBTRJMKZ-VHSXEESVSA-N 1 0 242.313 3.858 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657815434 411604875 /nfs/dbraw/zinc/60/48/75/411604875.db2.gz GSYQQKGBTRJMKZ-ZJUUUORDSA-N 1 0 242.313 3.858 20 0 BHADRO C1CCCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657815487 411604856 /nfs/dbraw/zinc/60/48/56/411604856.db2.gz GABFRLVLXDVQDV-CYBMUJFWSA-N 1 0 227.417 3.585 20 0 BHADRO C1CCCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657815496 411604923 /nfs/dbraw/zinc/60/49/23/411604923.db2.gz GABFRLVLXDVQDV-ZDUSSCGKSA-N 1 0 227.417 3.585 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657815596 411604837 /nfs/dbraw/zinc/60/48/37/411604837.db2.gz DOIXRZNMTBMMSZ-GXTWGEPZSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657815598 411604847 /nfs/dbraw/zinc/60/48/47/411604847.db2.gz DOIXRZNMTBMMSZ-JSGCOSHPSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657815601 411604825 /nfs/dbraw/zinc/60/48/25/411604825.db2.gz DOIXRZNMTBMMSZ-OCCSQVGLSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657815604 411605075 /nfs/dbraw/zinc/60/50/75/411605075.db2.gz DOIXRZNMTBMMSZ-TZMCWYRMSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cc2ccncc2s1 ZINC000657815695 411604774 /nfs/dbraw/zinc/60/47/74/411604774.db2.gz IACXXQYNNAJLIZ-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cc2ccncc2s1 ZINC000657815699 411604827 /nfs/dbraw/zinc/60/48/27/411604827.db2.gz IACXXQYNNAJLIZ-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]C1CC(CF)(CF)C1 ZINC000657815919 411604984 /nfs/dbraw/zinc/60/49/84/411604984.db2.gz GAIWMIRUSXXWST-GFCCVEGCSA-N 1 0 247.373 3.880 20 0 BHADRO CCCC[C@H](CC)C[NH2+]C1CC(CF)(CF)C1 ZINC000657815920 411604881 /nfs/dbraw/zinc/60/48/81/411604881.db2.gz GAIWMIRUSXXWST-LBPRGKRZSA-N 1 0 247.373 3.880 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657815928 411604629 /nfs/dbraw/zinc/60/46/29/411604629.db2.gz GEVBKRQYXVZKDW-LLVKDONJSA-N 1 0 232.327 3.525 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657815930 411604857 /nfs/dbraw/zinc/60/48/57/411604857.db2.gz GEVBKRQYXVZKDW-NSHDSACASA-N 1 0 232.327 3.525 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657816052 411604919 /nfs/dbraw/zinc/60/49/19/411604919.db2.gz HMTFUAFMCASAHI-JTQLQIEISA-N 1 0 242.313 3.716 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657816055 411604709 /nfs/dbraw/zinc/60/47/09/411604709.db2.gz HMTFUAFMCASAHI-SNVBAGLBSA-N 1 0 242.313 3.716 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657816364 411605250 /nfs/dbraw/zinc/60/52/50/411605250.db2.gz KGCCBDBXABDGKA-JTQLQIEISA-N 1 0 232.327 3.667 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657816367 411605617 /nfs/dbraw/zinc/60/56/17/411605617.db2.gz KGCCBDBXABDGKA-SNVBAGLBSA-N 1 0 232.327 3.667 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)C(C)(C)C(F)F ZINC000657816494 411605426 /nfs/dbraw/zinc/60/54/26/411605426.db2.gz KRRTVNAMUWIIIT-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)C(C)(C)C(F)F ZINC000657816495 411605597 /nfs/dbraw/zinc/60/55/97/411605597.db2.gz KRRTVNAMUWIIIT-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000657816741 411605575 /nfs/dbraw/zinc/60/55/75/411605575.db2.gz NEYLHNIPKAACAL-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000657816744 411605345 /nfs/dbraw/zinc/60/53/45/411605345.db2.gz NEYLHNIPKAACAL-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000657816746 411605523 /nfs/dbraw/zinc/60/55/23/411605523.db2.gz NEYLHNIPKAACAL-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000657816750 411605336 /nfs/dbraw/zinc/60/53/36/411605336.db2.gz NEYLHNIPKAACAL-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+]CC2CCCCC2)CC1 ZINC000657816935 411605322 /nfs/dbraw/zinc/60/53/22/411605322.db2.gz KYVSDWNPORNFBB-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657816996 411605875 /nfs/dbraw/zinc/60/58/75/411605875.db2.gz LPTIQVWWKFRLHW-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657816997 411606217 /nfs/dbraw/zinc/60/62/17/411606217.db2.gz LPTIQVWWKFRLHW-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657816999 411606129 /nfs/dbraw/zinc/60/61/29/411606129.db2.gz LPTIQVWWKFRLHW-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657817001 411605833 /nfs/dbraw/zinc/60/58/33/411605833.db2.gz LPTIQVWWKFRLHW-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657817003 411605953 /nfs/dbraw/zinc/60/59/53/411605953.db2.gz LPYIKJNRVAMZJT-LLVKDONJSA-N 1 0 248.395 3.993 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657817005 411606133 /nfs/dbraw/zinc/60/61/33/411606133.db2.gz LPYIKJNRVAMZJT-NSHDSACASA-N 1 0 248.395 3.993 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cc2cnccc2o1 ZINC000657817067 411606159 /nfs/dbraw/zinc/60/61/59/411606159.db2.gz MLCQFHATEHMEKF-LLVKDONJSA-N 1 0 244.338 3.811 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cc2cnccc2o1 ZINC000657817068 411606119 /nfs/dbraw/zinc/60/61/19/411606119.db2.gz MLCQFHATEHMEKF-NSHDSACASA-N 1 0 244.338 3.811 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)(C)C(F)F ZINC000657817176 411605729 /nfs/dbraw/zinc/60/57/29/411605729.db2.gz PVIKHIORDURXTP-SECBINFHSA-N 1 0 245.288 3.595 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(F)cc1)C(C)(C)C(F)F ZINC000657817177 411605717 /nfs/dbraw/zinc/60/57/17/411605717.db2.gz PVIKHIORDURXTP-VIFPVBQESA-N 1 0 245.288 3.595 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657817264 411606104 /nfs/dbraw/zinc/60/61/04/411606104.db2.gz NPDVOOXEBRKFBL-CHWSQXEVSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657817267 411605873 /nfs/dbraw/zinc/60/58/73/411605873.db2.gz NPDVOOXEBRKFBL-OLZOCXBDSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657817269 411606068 /nfs/dbraw/zinc/60/60/68/411606068.db2.gz NPDVOOXEBRKFBL-QWHCGFSZSA-N 1 0 229.433 3.686 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657817274 411605790 /nfs/dbraw/zinc/60/57/90/411605790.db2.gz NPDVOOXEBRKFBL-STQMWFEESA-N 1 0 229.433 3.686 20 0 BHADRO C1=C(CC[NH2+][C@H]2CCCSCC2)CCCC1 ZINC000657817298 411606154 /nfs/dbraw/zinc/60/61/54/411606154.db2.gz QRFGRZGBRZDMPB-AWEZNQCLSA-N 1 0 239.428 3.752 20 0 BHADRO C1=C(CC[NH2+][C@@H]2CCCSCC2)CCCC1 ZINC000657817311 411606127 /nfs/dbraw/zinc/60/61/27/411606127.db2.gz QRFGRZGBRZDMPB-CQSZACIVSA-N 1 0 239.428 3.752 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657817478 411605294 /nfs/dbraw/zinc/60/52/94/411605294.db2.gz SKSGLUAUPWVELW-GFCCVEGCSA-N 1 0 247.373 3.879 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657817481 411605585 /nfs/dbraw/zinc/60/55/85/411605585.db2.gz SKSGLUAUPWVELW-LBPRGKRZSA-N 1 0 247.373 3.879 20 0 BHADRO C[C@H]([NH2+]CC1CCCCC1)C(C)(C)C(F)F ZINC000657817735 411605562 /nfs/dbraw/zinc/60/55/62/411605562.db2.gz PLUVWYILGMMXBD-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCC1)C(C)(C)C(F)F ZINC000657817736 411605349 /nfs/dbraw/zinc/60/53/49/411605349.db2.gz PLUVWYILGMMXBD-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000657817931 411605314 /nfs/dbraw/zinc/60/53/14/411605314.db2.gz QTFVNOQLVAIHOQ-IUDNXUCKSA-N 1 0 247.382 3.685 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000657817934 411605533 /nfs/dbraw/zinc/60/55/33/411605533.db2.gz QTFVNOQLVAIHOQ-JEYLPNPQSA-N 1 0 247.382 3.685 20 0 BHADRO FCC1(CF)CC([NH2+]CCC2=CCCCC2)C1 ZINC000657818011 411605936 /nfs/dbraw/zinc/60/59/36/411605936.db2.gz VKRVAFYTSJVWAT-UHFFFAOYSA-N 1 0 243.341 3.554 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657818611 411606188 /nfs/dbraw/zinc/60/61/88/411606188.db2.gz CMOPNTASWLHZQW-DZGCQCFKSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657818614 411606152 /nfs/dbraw/zinc/60/61/52/411606152.db2.gz CMOPNTASWLHZQW-HIFRSBDPSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657818618 411606160 /nfs/dbraw/zinc/60/61/60/411606160.db2.gz CMOPNTASWLHZQW-UKRRQHHQSA-N 1 0 249.423 3.665 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657818622 411605808 /nfs/dbraw/zinc/60/58/08/411605808.db2.gz CMOPNTASWLHZQW-ZFWWWQNUSA-N 1 0 249.423 3.665 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657818707 411605908 /nfs/dbraw/zinc/60/59/08/411605908.db2.gz XEGGMLFCDANTNT-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657818710 411606181 /nfs/dbraw/zinc/60/61/81/411606181.db2.gz XEGGMLFCDANTNT-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657818713 411606207 /nfs/dbraw/zinc/60/62/07/411606207.db2.gz XEGGMLFCDANTNT-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657818715 411606267 /nfs/dbraw/zinc/60/62/67/411606267.db2.gz XEGGMLFCDANTNT-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657818802 411606730 /nfs/dbraw/zinc/60/67/30/411606730.db2.gz UPAFFBKTLFTLQM-JTQLQIEISA-N 1 0 234.368 3.747 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657818804 411606296 /nfs/dbraw/zinc/60/62/96/411606296.db2.gz UPAFFBKTLFTLQM-SNVBAGLBSA-N 1 0 234.368 3.747 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657818820 411606339 /nfs/dbraw/zinc/60/63/39/411606339.db2.gz UUQRTKBBSWWXAM-SECBINFHSA-N 1 0 242.313 3.858 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657818823 411606523 /nfs/dbraw/zinc/60/65/23/411606523.db2.gz UUQRTKBBSWWXAM-VIFPVBQESA-N 1 0 242.313 3.858 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc1 ZINC000657818850 411606540 /nfs/dbraw/zinc/60/65/40/411606540.db2.gz FBMRFKJDYYCRCX-LLVKDONJSA-N 1 0 241.325 3.764 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc1 ZINC000657818853 411606298 /nfs/dbraw/zinc/60/62/98/411606298.db2.gz FBMRFKJDYYCRCX-NSHDSACASA-N 1 0 241.325 3.764 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657819250 411606437 /nfs/dbraw/zinc/60/64/37/411606437.db2.gz WPXDQJUAGKLSON-LLVKDONJSA-N 1 0 232.327 3.669 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657819252 411606371 /nfs/dbraw/zinc/60/63/71/411606371.db2.gz WPXDQJUAGKLSON-NSHDSACASA-N 1 0 232.327 3.669 20 0 BHADRO Cc1ccccc1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657819410 411606458 /nfs/dbraw/zinc/60/64/58/411606458.db2.gz DYNQVHMBRYOSEB-LLVKDONJSA-N 1 0 241.325 3.764 20 0 BHADRO Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657819414 411606271 /nfs/dbraw/zinc/60/62/71/411606271.db2.gz DYNQVHMBRYOSEB-NSHDSACASA-N 1 0 241.325 3.764 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1F)C(C)(C)C(F)F ZINC000657819503 411606361 /nfs/dbraw/zinc/60/63/61/411606361.db2.gz GIQXSAXXCOTZIK-SECBINFHSA-N 1 0 245.288 3.595 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1F)C(C)(C)C(F)F ZINC000657819506 411606752 /nfs/dbraw/zinc/60/67/52/411606752.db2.gz GIQXSAXXCOTZIK-VIFPVBQESA-N 1 0 245.288 3.595 20 0 BHADRO c1ccc(CCC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000657819720 411606337 /nfs/dbraw/zinc/60/63/37/411606337.db2.gz YESWAEGGFAGUKT-HNNXBMFYSA-N 1 0 229.367 3.542 20 0 BHADRO c1ccc(CCC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000657819721 411606641 /nfs/dbraw/zinc/60/66/41/411606641.db2.gz YESWAEGGFAGUKT-OAHLLOKOSA-N 1 0 229.367 3.542 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657819920 411606369 /nfs/dbraw/zinc/60/63/69/411606369.db2.gz ZYYXLWIYWSCNGB-JTQLQIEISA-N 1 0 242.313 3.860 20 0 BHADRO CCCCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657819923 411606586 /nfs/dbraw/zinc/60/65/86/411606586.db2.gz ZYYXLWIYWSCNGB-SNVBAGLBSA-N 1 0 242.313 3.860 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657819950 411606634 /nfs/dbraw/zinc/60/66/34/411606634.db2.gz ZDZZBQZJWFKYNE-JTQLQIEISA-N 1 0 234.368 3.603 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657819952 411606665 /nfs/dbraw/zinc/60/66/65/411606665.db2.gz ZDZZBQZJWFKYNE-SNVBAGLBSA-N 1 0 234.368 3.603 20 0 BHADRO C[C@@H]([NH2+]Cc1cccs1)C(C)(C)C(F)F ZINC000657820589 411607221 /nfs/dbraw/zinc/60/72/21/411607221.db2.gz MVUVLADFRMJBLT-MRVPVSSYSA-N 1 0 233.327 3.518 20 0 BHADRO C[C@H]([NH2+]Cc1cccs1)C(C)(C)C(F)F ZINC000657820590 411606828 /nfs/dbraw/zinc/60/68/28/411606828.db2.gz MVUVLADFRMJBLT-QMMMGPOBSA-N 1 0 233.327 3.518 20 0 BHADRO C[C@@H]([NH2+]CCc1cccs1)C(C)(C)C(F)F ZINC000657821412 411607076 /nfs/dbraw/zinc/60/70/76/411607076.db2.gz PKMYYOXSVONIBD-SECBINFHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H]([NH2+]CCc1cccs1)C(C)(C)C(F)F ZINC000657821413 411607308 /nfs/dbraw/zinc/60/73/08/411607308.db2.gz PKMYYOXSVONIBD-VIFPVBQESA-N 1 0 247.354 3.560 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1cccs1 ZINC000657822205 411607323 /nfs/dbraw/zinc/60/73/23/411607323.db2.gz XHQUCVNRSURACR-AGIUHOORSA-N 1 0 235.396 3.662 20 0 BHADRO CC1(C)[C@H]([NH2+]Cc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000657822211 411606869 /nfs/dbraw/zinc/60/68/69/411606869.db2.gz XHQUCVNRSURACR-FRRDWIJNSA-N 1 0 235.396 3.662 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657824031 411607720 /nfs/dbraw/zinc/60/77/20/411607720.db2.gz CDXGDDQKGGNEPT-GHMZBOCLSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657824032 411607557 /nfs/dbraw/zinc/60/75/57/411607557.db2.gz CDXGDDQKGGNEPT-MNOVXSKESA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657824033 411607606 /nfs/dbraw/zinc/60/76/06/411607606.db2.gz CDXGDDQKGGNEPT-QWRGUYRKSA-N 1 0 248.395 3.991 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657824034 411607676 /nfs/dbraw/zinc/60/76/76/411607676.db2.gz CDXGDDQKGGNEPT-WDEREUQCSA-N 1 0 248.395 3.991 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc2ccncc2s1 ZINC000657824195 411607846 /nfs/dbraw/zinc/60/78/46/411607846.db2.gz SBGNFASWDAVQID-NXEZZACHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc2ccncc2s1 ZINC000657824198 411607621 /nfs/dbraw/zinc/60/76/21/411607621.db2.gz SBGNFASWDAVQID-UWVGGRQHSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc2ccncc2s1 ZINC000657824201 411607685 /nfs/dbraw/zinc/60/76/85/411607685.db2.gz SBGNFASWDAVQID-VHSXEESVSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccncc2s1)C1CC1 ZINC000657824204 411607542 /nfs/dbraw/zinc/60/75/42/411607542.db2.gz SBGNFASWDAVQID-ZJUUUORDSA-N 1 0 246.379 3.745 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657824771 411607624 /nfs/dbraw/zinc/60/76/24/411607624.db2.gz LOBFIMKXMYTMBL-GHMZBOCLSA-N 1 0 232.327 3.523 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657824772 411607546 /nfs/dbraw/zinc/60/75/46/411607546.db2.gz LOBFIMKXMYTMBL-MNOVXSKESA-N 1 0 232.327 3.523 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657824773 411607582 /nfs/dbraw/zinc/60/75/82/411607582.db2.gz LOBFIMKXMYTMBL-QWRGUYRKSA-N 1 0 232.327 3.523 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657824774 411607698 /nfs/dbraw/zinc/60/76/98/411607698.db2.gz LOBFIMKXMYTMBL-WDEREUQCSA-N 1 0 232.327 3.523 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(F)c1)C(C)(C)C(F)F ZINC000657825677 411607895 /nfs/dbraw/zinc/60/78/95/411607895.db2.gz BDCYWLJQSCNJAK-SECBINFHSA-N 1 0 245.288 3.595 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(F)c1)C(C)(C)C(F)F ZINC000657825678 411607634 /nfs/dbraw/zinc/60/76/34/411607634.db2.gz BDCYWLJQSCNJAK-VIFPVBQESA-N 1 0 245.288 3.595 20 0 BHADRO FCC1(CF)CC([NH2+]CCC2CCCCC2)C1 ZINC000657825754 411607637 /nfs/dbraw/zinc/60/76/37/411607637.db2.gz CARSMTDNIMOFKI-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO C[C@@H]([NH2+]CCc1ccsc1)C(C)(C)C(F)F ZINC000657826133 411608444 /nfs/dbraw/zinc/60/84/44/411608444.db2.gz DRLRERUJPLVBAD-SECBINFHSA-N 1 0 247.354 3.560 20 0 BHADRO C[C@H]([NH2+]CCc1ccsc1)C(C)(C)C(F)F ZINC000657826135 411608407 /nfs/dbraw/zinc/60/84/07/411608407.db2.gz DRLRERUJPLVBAD-VIFPVBQESA-N 1 0 247.354 3.560 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657826193 411608500 /nfs/dbraw/zinc/60/85/00/411608500.db2.gz GFINHOVFQIHFAO-JTQLQIEISA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657826194 411608268 /nfs/dbraw/zinc/60/82/68/411608268.db2.gz GFINHOVFQIHFAO-SNVBAGLBSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657826583 411608509 /nfs/dbraw/zinc/60/85/09/411608509.db2.gz IJXBFBLZKMDNJH-GFCCVEGCSA-N 1 0 246.354 3.915 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657826584 411608548 /nfs/dbraw/zinc/60/85/48/411608548.db2.gz IJXBFBLZKMDNJH-LBPRGKRZSA-N 1 0 246.354 3.915 20 0 BHADRO C[C@H]([NH2+]CCC1CCCC1)C(C)(C)C(F)F ZINC000657826747 411608261 /nfs/dbraw/zinc/60/82/61/411608261.db2.gz KEROGXLXQKIJCJ-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCC1)C(C)(C)C(F)F ZINC000657826748 411608420 /nfs/dbraw/zinc/60/84/20/411608420.db2.gz KEROGXLXQKIJCJ-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@H]1CCCSCC1 ZINC000657827261 411608501 /nfs/dbraw/zinc/60/85/01/411608501.db2.gz LECMWVUVEVYSGG-AWEZNQCLSA-N 1 0 241.444 3.832 20 0 BHADRO C(CC1CCCCC1)[NH2+][C@@H]1CCCSCC1 ZINC000657827265 411608315 /nfs/dbraw/zinc/60/83/15/411608315.db2.gz LECMWVUVEVYSGG-CQSZACIVSA-N 1 0 241.444 3.832 20 0 BHADRO CCOC1CCC([NH2+]CCC2CCCC2)CC1 ZINC000657827703 411608486 /nfs/dbraw/zinc/60/84/86/411608486.db2.gz POTAGNRSZWEXEX-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C(C[NH2+][C@H]1CCCSCC1)CC1CCCC1 ZINC000657827983 411608530 /nfs/dbraw/zinc/60/85/30/411608530.db2.gz QNSGVMYXGYRPIF-AWEZNQCLSA-N 1 0 241.444 3.832 20 0 BHADRO C(C[NH2+][C@@H]1CCCSCC1)CC1CCCC1 ZINC000657827984 411608561 /nfs/dbraw/zinc/60/85/61/411608561.db2.gz QNSGVMYXGYRPIF-CQSZACIVSA-N 1 0 241.444 3.832 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCSCC1 ZINC000657828122 411608328 /nfs/dbraw/zinc/60/83/28/411608328.db2.gz RVFAMZYOBKEJEY-DZGCQCFKSA-N 1 0 247.407 3.549 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCSCC1 ZINC000657828126 411608499 /nfs/dbraw/zinc/60/84/99/411608499.db2.gz RVFAMZYOBKEJEY-UKRRQHHQSA-N 1 0 247.407 3.549 20 0 BHADRO FCC1(CF)CC([NH2+]CCCC2CCCC2)C1 ZINC000657828808 411608257 /nfs/dbraw/zinc/60/82/57/411608257.db2.gz XUBWCOMOJPDYIY-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000657830146 411608972 /nfs/dbraw/zinc/60/89/72/411608972.db2.gz LXCHTUUZRQVMAD-LLVKDONJSA-N 1 0 241.325 3.764 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000657830147 411608882 /nfs/dbraw/zinc/60/88/82/411608882.db2.gz LXCHTUUZRQVMAD-NSHDSACASA-N 1 0 241.325 3.764 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657830318 411608755 /nfs/dbraw/zinc/60/87/55/411608755.db2.gz IAQIMHXGDANTLL-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657830319 411608828 /nfs/dbraw/zinc/60/88/28/411608828.db2.gz IAQIMHXGDANTLL-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657830320 411609197 /nfs/dbraw/zinc/60/91/97/411609197.db2.gz IAQIMHXGDANTLL-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657830321 411609002 /nfs/dbraw/zinc/60/90/02/411609002.db2.gz IAQIMHXGDANTLL-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657831469 411608803 /nfs/dbraw/zinc/60/88/03/411608803.db2.gz ZGEJCDLKUXSCCP-AAEUAGOBSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657831470 411608830 /nfs/dbraw/zinc/60/88/30/411608830.db2.gz ZGEJCDLKUXSCCP-DGCLKSJQSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657831471 411608833 /nfs/dbraw/zinc/60/88/33/411608833.db2.gz ZGEJCDLKUXSCCP-WCQYABFASA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657831472 411609171 /nfs/dbraw/zinc/60/91/71/411609171.db2.gz ZGEJCDLKUXSCCP-YPMHNXCESA-N 1 0 245.357 3.633 20 0 BHADRO C[C@@H]([NH2+]Cc1ccsc1)C(C)(C)C(F)F ZINC000657834544 411608750 /nfs/dbraw/zinc/60/87/50/411608750.db2.gz GRRMYKUYQSXFIE-MRVPVSSYSA-N 1 0 233.327 3.518 20 0 BHADRO C[C@H]([NH2+]Cc1ccsc1)C(C)(C)C(F)F ZINC000657834548 411609296 /nfs/dbraw/zinc/60/92/96/411609296.db2.gz GRRMYKUYQSXFIE-QMMMGPOBSA-N 1 0 233.327 3.518 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccsc1 ZINC000657834998 411609392 /nfs/dbraw/zinc/60/93/92/411609392.db2.gz JTMHSFQDJNGBAC-AGIUHOORSA-N 1 0 235.396 3.662 20 0 BHADRO CC1(C)[C@H]([NH2+]Cc2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000657835001 411609378 /nfs/dbraw/zinc/60/93/78/411609378.db2.gz JTMHSFQDJNGBAC-FRRDWIJNSA-N 1 0 235.396 3.662 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)s1 ZINC000657840438 411609938 /nfs/dbraw/zinc/60/99/38/411609938.db2.gz QNKRGXFJWOSCFO-SECBINFHSA-N 1 0 247.354 3.826 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)s1 ZINC000657840439 411609828 /nfs/dbraw/zinc/60/98/28/411609828.db2.gz QNKRGXFJWOSCFO-VIFPVBQESA-N 1 0 247.354 3.826 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCSCC2)c(C)c1 ZINC000657840985 411609799 /nfs/dbraw/zinc/60/97/99/411609799.db2.gz LHMHTUWERYPQMJ-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCSCC2)c(C)c1 ZINC000657840986 411609957 /nfs/dbraw/zinc/60/99/57/411609957.db2.gz LHMHTUWERYPQMJ-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657847533 411611480 /nfs/dbraw/zinc/61/14/80/411611480.db2.gz XVVIAPOJYJNDAX-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSCC2)cc1 ZINC000657847535 411611509 /nfs/dbraw/zinc/61/15/09/411611509.db2.gz XVVIAPOJYJNDAX-HIFRSBDPSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657847536 411611210 /nfs/dbraw/zinc/61/12/10/411611210.db2.gz XVVIAPOJYJNDAX-UKRRQHHQSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSCC2)cc1 ZINC000657847537 411611353 /nfs/dbraw/zinc/61/13/53/411611353.db2.gz XVVIAPOJYJNDAX-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657847695 411611219 /nfs/dbraw/zinc/61/12/19/411611219.db2.gz DUWHBKPYXZEWSZ-QJPTWQEYSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657847696 411610941 /nfs/dbraw/zinc/61/09/41/411610941.db2.gz DUWHBKPYXZEWSZ-SDDRHHMPSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657847697 411611481 /nfs/dbraw/zinc/61/14/81/411611481.db2.gz DUWHBKPYXZEWSZ-SRVKXCTJSA-N 1 0 246.354 3.913 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657847698 411611100 /nfs/dbraw/zinc/61/11/00/411611100.db2.gz DUWHBKPYXZEWSZ-TUAOUCFPSA-N 1 0 246.354 3.913 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657848249 411611814 /nfs/dbraw/zinc/61/18/14/411611814.db2.gz LOJHRDRHRKRIIR-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657848250 411611641 /nfs/dbraw/zinc/61/16/41/411611641.db2.gz LOJHRDRHRKRIIR-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657848251 411611699 /nfs/dbraw/zinc/61/16/99/411611699.db2.gz LOJHRDRHRKRIIR-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657848252 411611877 /nfs/dbraw/zinc/61/18/77/411611877.db2.gz LOJHRDRHRKRIIR-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO CC1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657848741 411611701 /nfs/dbraw/zinc/61/17/01/411611701.db2.gz WMAKFAMYCHEILW-JXQTWKCFSA-N 1 0 241.444 3.688 20 0 BHADRO CC1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657848742 411611746 /nfs/dbraw/zinc/61/17/46/411611746.db2.gz WMAKFAMYCHEILW-RUXDESIVSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657848950 411611676 /nfs/dbraw/zinc/61/16/76/411611676.db2.gz ACROVQJVUUUUMS-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657848952 411611869 /nfs/dbraw/zinc/61/18/69/411611869.db2.gz ACROVQJVUUUUMS-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657848954 411611763 /nfs/dbraw/zinc/61/17/63/411611763.db2.gz ACROVQJVUUUUMS-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657848956 411611830 /nfs/dbraw/zinc/61/18/30/411611830.db2.gz ACROVQJVUUUUMS-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc2ccncc2s1 ZINC000657849231 488148708 /nfs/dbraw/zinc/14/87/08/488148708.db2.gz DKIYUJHSIIZNLI-JBLDHEPKSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc2ccncc2s1 ZINC000657849232 488148861 /nfs/dbraw/zinc/14/88/61/488148861.db2.gz DKIYUJHSIIZNLI-JFGNBEQYSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc2ccncc2s1 ZINC000657849233 488148803 /nfs/dbraw/zinc/14/88/03/488148803.db2.gz DKIYUJHSIIZNLI-NHCYSSNCSA-N 1 0 246.379 3.603 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc2ccncc2s1 ZINC000657849234 488148829 /nfs/dbraw/zinc/14/88/29/488148829.db2.gz DKIYUJHSIIZNLI-SCVCMEIPSA-N 1 0 246.379 3.603 20 0 BHADRO Cc1ccsc1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657849255 488148602 /nfs/dbraw/zinc/14/86/02/488148602.db2.gz FBQFWNGHGVOEKU-SECBINFHSA-N 1 0 247.354 3.826 20 0 BHADRO Cc1ccsc1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657849256 488148537 /nfs/dbraw/zinc/14/85/37/488148537.db2.gz FBQFWNGHGVOEKU-VIFPVBQESA-N 1 0 247.354 3.826 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cc2cnccc2o1 ZINC000657849538 411611828 /nfs/dbraw/zinc/61/18/28/411611828.db2.gz HYODQZVHGVDWMR-JTQLQIEISA-N 1 0 232.327 3.525 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc2cnccc2o1 ZINC000657849540 411611832 /nfs/dbraw/zinc/61/18/32/411611832.db2.gz HYODQZVHGVDWMR-SNVBAGLBSA-N 1 0 232.327 3.525 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000657850014 490290452 /nfs/dbraw/zinc/29/04/52/490290452.db2.gz MTJSBRXDDVNADG-FEWQNLEASA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000657850015 490290435 /nfs/dbraw/zinc/29/04/35/490290435.db2.gz MTJSBRXDDVNADG-FGZQJIAISA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000657850016 488148668 /nfs/dbraw/zinc/14/86/68/488148668.db2.gz MTJSBRXDDVNADG-JLVJUDLZSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000657850017 488148687 /nfs/dbraw/zinc/14/86/87/488148687.db2.gz MTJSBRXDDVNADG-LQULJDIASA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657850378 411612160 /nfs/dbraw/zinc/61/21/60/411612160.db2.gz QGPNJHSSHKJMDI-GMTAPVOTSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657850379 411612122 /nfs/dbraw/zinc/61/21/22/411612122.db2.gz QGPNJHSSHKJMDI-MXWKQRLJSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657850381 411612111 /nfs/dbraw/zinc/61/21/11/411612111.db2.gz QGPNJHSSHKJMDI-OUAUKWLOSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657850383 411612226 /nfs/dbraw/zinc/61/22/26/411612226.db2.gz QGPNJHSSHKJMDI-VWYCJHECSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1cc2ccncc2s1 ZINC000657850580 411612324 /nfs/dbraw/zinc/61/23/24/411612324.db2.gz UMBDAWBFZSJJEP-JTQLQIEISA-N 1 0 248.395 3.993 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1cc2ccncc2s1 ZINC000657850678 411612206 /nfs/dbraw/zinc/61/22/06/411612206.db2.gz UMBDAWBFZSJJEP-SNVBAGLBSA-N 1 0 248.395 3.993 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cc2cnccc2o1 ZINC000657850898 411612249 /nfs/dbraw/zinc/61/22/49/411612249.db2.gz WKRAWPQAHLYDDA-LLVKDONJSA-N 1 0 246.354 3.915 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1cc2cnccc2o1 ZINC000657850899 411612251 /nfs/dbraw/zinc/61/22/51/411612251.db2.gz WKRAWPQAHLYDDA-NSHDSACASA-N 1 0 246.354 3.915 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657851046 411612143 /nfs/dbraw/zinc/61/21/43/411612143.db2.gz YSWLAVAVVMPKNS-SECBINFHSA-N 1 0 242.313 3.716 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657851047 411612103 /nfs/dbraw/zinc/61/21/03/411612103.db2.gz YSWLAVAVVMPKNS-VIFPVBQESA-N 1 0 242.313 3.716 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C(F)F ZINC000657851075 411612074 /nfs/dbraw/zinc/61/20/74/411612074.db2.gz ZELATTAZDXMNMC-SECBINFHSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C(F)F ZINC000657851076 411612253 /nfs/dbraw/zinc/61/22/53/411612253.db2.gz ZELATTAZDXMNMC-VIFPVBQESA-N 1 0 221.335 3.692 20 0 BHADRO C[C@@H]([NH2+]CC1CCCC1)c1cc2cnccc2o1 ZINC000657851740 411612247 /nfs/dbraw/zinc/61/22/47/411612247.db2.gz QMEZTJNDBXBMGD-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CC1CCCC1)c1cc2cnccc2o1 ZINC000657851741 411612030 /nfs/dbraw/zinc/61/20/30/411612030.db2.gz QMEZTJNDBXBMGD-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCCSCC1 ZINC000657853188 411612202 /nfs/dbraw/zinc/61/22/02/411612202.db2.gz JJBIIECBZAVTCA-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657853189 411612048 /nfs/dbraw/zinc/61/20/48/411612048.db2.gz JJBIIECBZAVTCA-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657853191 411612040 /nfs/dbraw/zinc/61/20/40/411612040.db2.gz JJBIIECBZAVTCA-RQJABVFESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCCSCC1 ZINC000657853192 411612200 /nfs/dbraw/zinc/61/22/00/411612200.db2.gz JJBIIECBZAVTCA-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cc2ccncc2s1 ZINC000657853299 411612224 /nfs/dbraw/zinc/61/22/24/411612224.db2.gz KQMSIQYJFQJWTP-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cc2ccncc2s1 ZINC000657853301 411612199 /nfs/dbraw/zinc/61/21/99/411612199.db2.gz KQMSIQYJFQJWTP-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(C)(C)C(F)F ZINC000657853527 411612287 /nfs/dbraw/zinc/61/22/87/411612287.db2.gz NAXPBULBVMKSOT-GHMZBOCLSA-N 1 0 231.330 3.612 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(C)(C)C(F)F ZINC000657853529 411612130 /nfs/dbraw/zinc/61/21/30/411612130.db2.gz NAXPBULBVMKSOT-MNOVXSKESA-N 1 0 231.330 3.612 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC=CCC1)C(C)(C)C(F)F ZINC000657853530 411612275 /nfs/dbraw/zinc/61/22/75/411612275.db2.gz NAXPBULBVMKSOT-QWRGUYRKSA-N 1 0 231.330 3.612 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(C)(C)C(F)F ZINC000657853532 411612520 /nfs/dbraw/zinc/61/25/20/411612520.db2.gz NAXPBULBVMKSOT-WDEREUQCSA-N 1 0 231.330 3.612 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657855240 488151441 /nfs/dbraw/zinc/15/14/41/488151441.db2.gz FNJLOIQTWDWQTN-HZSPNIEDSA-N 1 0 233.355 3.502 20 0 BHADRO Cc1occc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657855243 488150894 /nfs/dbraw/zinc/15/08/94/488150894.db2.gz FNJLOIQTWDWQTN-RDBSUJKOSA-N 1 0 233.355 3.502 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc2cnccc2o1 ZINC000657856555 488151502 /nfs/dbraw/zinc/15/15/02/488151502.db2.gz OLYLORLNJSWRPJ-GHMZBOCLSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)C1CC1 ZINC000657856557 488150963 /nfs/dbraw/zinc/15/09/63/488150963.db2.gz OLYLORLNJSWRPJ-MNOVXSKESA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)C1CC1 ZINC000657856560 488150743 /nfs/dbraw/zinc/15/07/43/488150743.db2.gz OLYLORLNJSWRPJ-QWRGUYRKSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cc2cnccc2o1)C1CC1 ZINC000657856561 488151283 /nfs/dbraw/zinc/15/12/83/488151283.db2.gz OLYLORLNJSWRPJ-WDEREUQCSA-N 1 0 244.338 3.525 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@H]1CCCC12CC2 ZINC000657861796 488153738 /nfs/dbraw/zinc/15/37/38/488153738.db2.gz LVOIJUIJMLMOSI-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@@H]1CCCC12CC2 ZINC000657861843 488153746 /nfs/dbraw/zinc/15/37/46/488153746.db2.gz LVOIJUIJMLMOSI-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657869037 411613800 /nfs/dbraw/zinc/61/38/00/411613800.db2.gz GCSHIEACRVSCGA-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657869038 411613950 /nfs/dbraw/zinc/61/39/50/411613950.db2.gz GCSHIEACRVSCGA-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657870481 411614243 /nfs/dbraw/zinc/61/42/43/411614243.db2.gz PLDLJDYGWKLYQH-UHFFFAOYSA-N 1 0 247.373 3.880 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657872095 411614110 /nfs/dbraw/zinc/61/41/10/411614110.db2.gz YIEHMGADNPCQPD-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657872096 411614127 /nfs/dbraw/zinc/61/41/27/411614127.db2.gz YIEHMGADNPCQPD-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657874773 411615150 /nfs/dbraw/zinc/61/51/50/411615150.db2.gz AKRFGZGECHMVMB-SECBINFHSA-N 1 0 221.335 3.692 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657874774 411614917 /nfs/dbraw/zinc/61/49/17/411614917.db2.gz AKRFGZGECHMVMB-VIFPVBQESA-N 1 0 221.335 3.692 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657875496 411615464 /nfs/dbraw/zinc/61/54/64/411615464.db2.gz LAKFUIKPHULNEL-LLVKDONJSA-N 1 0 246.354 3.915 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657875497 411615461 /nfs/dbraw/zinc/61/54/61/411615461.db2.gz LAKFUIKPHULNEL-NSHDSACASA-N 1 0 246.354 3.915 20 0 BHADRO Fc1cccc(CCC[NH2+][C@H]2CCCC23CC3)c1 ZINC000657875914 411615383 /nfs/dbraw/zinc/61/53/83/411615383.db2.gz JFUJPKZVXCMSED-HNNXBMFYSA-N 1 0 247.357 3.681 20 0 BHADRO Fc1cccc(CCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000657875915 411615007 /nfs/dbraw/zinc/61/50/07/411615007.db2.gz JFUJPKZVXCMSED-OAHLLOKOSA-N 1 0 247.357 3.681 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@H](C)C1 ZINC000657880259 411615957 /nfs/dbraw/zinc/61/59/57/411615957.db2.gz IRLPEGMUYHNXTQ-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@@H](C)C1 ZINC000657880260 411615983 /nfs/dbraw/zinc/61/59/83/411615983.db2.gz IRLPEGMUYHNXTQ-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@@H](C)C1 ZINC000657880261 411615951 /nfs/dbraw/zinc/61/59/51/411615951.db2.gz IRLPEGMUYHNXTQ-RQJABVFESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@H](C)C1 ZINC000657880262 411615965 /nfs/dbraw/zinc/61/59/65/411615965.db2.gz IRLPEGMUYHNXTQ-SYQHCUMBSA-N 1 0 241.444 3.686 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000657881601 488163675 /nfs/dbraw/zinc/16/36/75/488163675.db2.gz HJLXEEMHTAQRFQ-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000657881605 411152395 /nfs/dbraw/zinc/15/23/95/411152395.db2.gz HJLXEEMHTAQRFQ-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO CCc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000657886002 411153219 /nfs/dbraw/zinc/15/32/19/411153219.db2.gz CFGLOCPBNZTELM-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657886004 411153356 /nfs/dbraw/zinc/15/33/56/411153356.db2.gz CFGLOCPBNZTELM-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO CC1(C)CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657886194 411153084 /nfs/dbraw/zinc/15/30/84/411153084.db2.gz CWIYOICWGRXLMX-UHFFFAOYSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H]1CC([NH2+][C@@H]2CCCSCC2)C[C@H](C)C1 ZINC000657886557 411153294 /nfs/dbraw/zinc/15/32/94/411153294.db2.gz FPJWHTJTIBSBAB-JHJVBQTASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@H]2CCCSCC2)C[C@@H](C)C1 ZINC000657886559 411153074 /nfs/dbraw/zinc/15/30/74/411153074.db2.gz FPJWHTJTIBSBAB-RFQIPJPRSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCSCC2)C[C@@H](C)C1 ZINC000657886560 411153307 /nfs/dbraw/zinc/15/33/07/411153307.db2.gz FPJWHTJTIBSBAB-RQJABVFESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H]1CC([NH2+][C@H]2CCCSCC2)C[C@H](C)C1 ZINC000657886561 411153167 /nfs/dbraw/zinc/15/31/67/411153167.db2.gz FPJWHTJTIBSBAB-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657886834 488165586 /nfs/dbraw/zinc/16/55/86/488165586.db2.gz BLYDDAUSDBQHPY-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657886836 488165536 /nfs/dbraw/zinc/16/55/36/488165536.db2.gz BLYDDAUSDBQHPY-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657886838 488165448 /nfs/dbraw/zinc/16/54/48/488165448.db2.gz BLYDDAUSDBQHPY-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657886839 488165507 /nfs/dbraw/zinc/16/55/07/488165507.db2.gz BLYDDAUSDBQHPY-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)C1CCCCC1 ZINC000657887030 488166308 /nfs/dbraw/zinc/16/63/08/488166308.db2.gz HTAVKEBLEKDINR-LLVKDONJSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H]([NH2+]C1CC(CF)(CF)C1)C1CCCCC1 ZINC000657887033 488166544 /nfs/dbraw/zinc/16/65/44/488166544.db2.gz HTAVKEBLEKDINR-NSHDSACASA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657887641 411153780 /nfs/dbraw/zinc/15/37/80/411153780.db2.gz NOIFQDGJBZMUIY-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657887642 411153868 /nfs/dbraw/zinc/15/38/68/411153868.db2.gz NOIFQDGJBZMUIY-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657887643 411153845 /nfs/dbraw/zinc/15/38/45/411153845.db2.gz NOIFQDGJBZMUIY-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657887645 488166493 /nfs/dbraw/zinc/16/64/93/488166493.db2.gz NOIFQDGJBZMUIY-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657888148 490292525 /nfs/dbraw/zinc/29/25/25/490292525.db2.gz OJMILGHQXPEUIC-NEPJUHHUSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657888149 490292434 /nfs/dbraw/zinc/29/24/34/490292434.db2.gz OJMILGHQXPEUIC-NWDGAFQWSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657888150 490292567 /nfs/dbraw/zinc/29/25/67/490292567.db2.gz OJMILGHQXPEUIC-RYUDHWBXSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657888151 490292632 /nfs/dbraw/zinc/29/26/32/490292632.db2.gz OJMILGHQXPEUIC-VXGBXAGGSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(CF)(CF)C1 ZINC000657888277 488167573 /nfs/dbraw/zinc/16/75/73/488167573.db2.gz GQALXBIEYVVUEB-LLVKDONJSA-N 1 0 247.373 3.879 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(CF)(CF)C1 ZINC000657888280 488167633 /nfs/dbraw/zinc/16/76/33/488167633.db2.gz GQALXBIEYVVUEB-NSHDSACASA-N 1 0 247.373 3.879 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657888297 488167689 /nfs/dbraw/zinc/16/76/89/488167689.db2.gz HFHZQPVYFJAULK-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657888300 488167673 /nfs/dbraw/zinc/16/76/73/488167673.db2.gz HFHZQPVYFJAULK-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657888302 488167802 /nfs/dbraw/zinc/16/78/02/488167802.db2.gz HFHZQPVYFJAULK-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657888305 488167686 /nfs/dbraw/zinc/16/76/86/488167686.db2.gz HFHZQPVYFJAULK-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657888359 488167905 /nfs/dbraw/zinc/16/79/05/488167905.db2.gz LOKGYZZBAJUUPJ-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657888362 488167868 /nfs/dbraw/zinc/16/78/68/488167868.db2.gz LOKGYZZBAJUUPJ-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC23CC3)c(C)s1 ZINC000657890084 411154506 /nfs/dbraw/zinc/15/45/06/411154506.db2.gz QRKLYRQGPHBSDD-CYBMUJFWSA-N 1 0 235.396 3.787 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC23CC3)c(C)s1 ZINC000657890087 411154596 /nfs/dbraw/zinc/15/45/96/411154596.db2.gz QRKLYRQGPHBSDD-ZDUSSCGKSA-N 1 0 235.396 3.787 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657890506 411155758 /nfs/dbraw/zinc/15/57/58/411155758.db2.gz SJQQXDWRTRQLDD-NXEZZACHSA-N 1 0 221.335 3.548 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657890507 411155654 /nfs/dbraw/zinc/15/56/54/411155654.db2.gz SJQQXDWRTRQLDD-UWVGGRQHSA-N 1 0 221.335 3.548 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657890508 411155685 /nfs/dbraw/zinc/15/56/85/411155685.db2.gz SJQQXDWRTRQLDD-VHSXEESVSA-N 1 0 221.335 3.548 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657890509 411155671 /nfs/dbraw/zinc/15/56/71/411155671.db2.gz SJQQXDWRTRQLDD-ZJUUUORDSA-N 1 0 221.335 3.548 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657891343 411156380 /nfs/dbraw/zinc/15/63/80/411156380.db2.gz WUBAZSJIUUEIPH-NEPJUHHUSA-N 1 0 246.354 3.771 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657891344 411156391 /nfs/dbraw/zinc/15/63/91/411156391.db2.gz WUBAZSJIUUEIPH-NWDGAFQWSA-N 1 0 246.354 3.771 20 0 BHADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657891349 411156016 /nfs/dbraw/zinc/15/60/16/411156016.db2.gz WUBAZSJIUUEIPH-RYUDHWBXSA-N 1 0 246.354 3.771 20 0 BHADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657891353 411155745 /nfs/dbraw/zinc/15/57/45/411155745.db2.gz WUBAZSJIUUEIPH-VXGBXAGGSA-N 1 0 246.354 3.771 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657891695 411156405 /nfs/dbraw/zinc/15/64/05/411156405.db2.gz WEHWABOYPMDBEL-GXTWGEPZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657891699 411156312 /nfs/dbraw/zinc/15/63/12/411156312.db2.gz WEHWABOYPMDBEL-JSGCOSHPSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657891702 411156198 /nfs/dbraw/zinc/15/61/98/411156198.db2.gz WEHWABOYPMDBEL-OCCSQVGLSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657891705 411156352 /nfs/dbraw/zinc/15/63/52/411156352.db2.gz WEHWABOYPMDBEL-TZMCWYRMSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)C(C)(C)C(F)F ZINC000657893957 411156607 /nfs/dbraw/zinc/15/66/07/411156607.db2.gz OSECPMQFONWYBT-SECBINFHSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C1CC1)C1CC1)C(C)(C)C(F)F ZINC000657893958 411157676 /nfs/dbraw/zinc/15/76/76/411157676.db2.gz OSECPMQFONWYBT-VIFPVBQESA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]([NH2+]CCCC(F)(F)F)C(C)(C)C(F)F ZINC000657894885 411156784 /nfs/dbraw/zinc/15/67/84/411156784.db2.gz FUFZYDFJROGJFF-SSDOTTSWSA-N 1 0 247.251 3.598 20 0 BHADRO C[C@H]([NH2+]CCCC(F)(F)F)C(C)(C)C(F)F ZINC000657894886 411157310 /nfs/dbraw/zinc/15/73/10/411157310.db2.gz FUFZYDFJROGJFF-ZETCQYMHSA-N 1 0 247.251 3.598 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000657895449 411156906 /nfs/dbraw/zinc/15/69/06/411156906.db2.gz NKJIBKGQTHHFIU-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCC(F)(F)F ZINC000657895451 411157179 /nfs/dbraw/zinc/15/71/79/411157179.db2.gz NKJIBKGQTHHFIU-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCn2nccc21 ZINC000657900199 411160413 /nfs/dbraw/zinc/16/04/13/411160413.db2.gz GJOHXYWFGJZDFA-KBPBESRZSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCn2nccc21 ZINC000657900204 411160420 /nfs/dbraw/zinc/16/04/20/411160420.db2.gz GJOHXYWFGJZDFA-KGLIPLIRSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCn2nccc21 ZINC000657900206 411160296 /nfs/dbraw/zinc/16/02/96/411160296.db2.gz GJOHXYWFGJZDFA-UONOGXRCSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCn2nccc21 ZINC000657900208 411160193 /nfs/dbraw/zinc/16/01/93/411160193.db2.gz GJOHXYWFGJZDFA-ZIAGYGMSSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657900660 411160376 /nfs/dbraw/zinc/16/03/76/411160376.db2.gz LPSWPZSUIHSTIZ-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657900661 411160209 /nfs/dbraw/zinc/16/02/09/411160209.db2.gz LPSWPZSUIHSTIZ-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657900664 411160411 /nfs/dbraw/zinc/16/04/11/411160411.db2.gz LPSWPZSUIHSTIZ-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657900666 411160218 /nfs/dbraw/zinc/16/02/18/411160218.db2.gz LPSWPZSUIHSTIZ-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000657900716 411160346 /nfs/dbraw/zinc/16/03/46/411160346.db2.gz JWLLHFDVMHYMIL-JXQTWKCFSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000657900717 411160367 /nfs/dbraw/zinc/16/03/67/411160367.db2.gz JWLLHFDVMHYMIL-RUXDESIVSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+]CC2(CC)CCC2)CC1 ZINC000657903015 411161190 /nfs/dbraw/zinc/16/11/90/411161190.db2.gz QWFFFFWLDQKVMS-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C(C)(C)C(F)F)CCC1 ZINC000657903480 411161632 /nfs/dbraw/zinc/16/16/32/411161632.db2.gz WCCCJCONKCHFKL-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCC1(C[NH2+][C@H](C)C(C)(C)C(F)F)CCC1 ZINC000657903481 411161794 /nfs/dbraw/zinc/16/17/94/411161794.db2.gz WCCCJCONKCHFKL-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657904805 411162400 /nfs/dbraw/zinc/16/24/00/411162400.db2.gz OAIZDADFYZRHEP-CHWSQXEVSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657904807 411162518 /nfs/dbraw/zinc/16/25/18/411162518.db2.gz OAIZDADFYZRHEP-OLZOCXBDSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657904808 411162532 /nfs/dbraw/zinc/16/25/32/411162532.db2.gz OAIZDADFYZRHEP-QWHCGFSZSA-N 1 0 241.444 3.831 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657904810 411162338 /nfs/dbraw/zinc/16/23/38/411162338.db2.gz OAIZDADFYZRHEP-STQMWFEESA-N 1 0 241.444 3.831 20 0 BHADRO C1=CCC([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657904959 411162533 /nfs/dbraw/zinc/16/25/33/411162533.db2.gz HPVJTIVAPXRUJY-UHFFFAOYSA-N 1 0 219.372 3.654 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657905134 411162508 /nfs/dbraw/zinc/16/25/08/411162508.db2.gz OQBLCJHMDWDRFV-GFCCVEGCSA-N 1 0 245.357 3.633 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657905135 411162237 /nfs/dbraw/zinc/16/22/37/411162237.db2.gz OQBLCJHMDWDRFV-LBPRGKRZSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cc2ccncc2s1 ZINC000657905465 411162489 /nfs/dbraw/zinc/16/24/89/411162489.db2.gz KZLGYVNDLHRQOO-JTQLQIEISA-N 1 0 244.363 3.666 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cc2ccncc2s1 ZINC000657905466 411162638 /nfs/dbraw/zinc/16/26/38/411162638.db2.gz KZLGYVNDLHRQOO-SNVBAGLBSA-N 1 0 244.363 3.666 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCSCC2)CCCC1 ZINC000657905796 411162501 /nfs/dbraw/zinc/16/25/01/411162501.db2.gz NAPHYNKZQKJFDM-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCSCC2)CCCC1 ZINC000657905797 411162240 /nfs/dbraw/zinc/16/22/40/411162240.db2.gz NAPHYNKZQKJFDM-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCC[C@@H]2CC)CC1 ZINC000657905914 411163263 /nfs/dbraw/zinc/16/32/63/411163263.db2.gz VNJHQTCWYMQVPB-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCC[C@H]2CC)CC1 ZINC000657905915 411163670 /nfs/dbraw/zinc/16/36/70/411163670.db2.gz VNJHQTCWYMQVPB-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCC[C@@H]2CC)CC1 ZINC000657905916 411163357 /nfs/dbraw/zinc/16/33/57/411163357.db2.gz VNJHQTCWYMQVPB-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCC[C@H]2CC)CC1 ZINC000657905917 411163330 /nfs/dbraw/zinc/16/33/30/411163330.db2.gz VNJHQTCWYMQVPB-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C[NH2+]C2CC(CF)(CF)C2)CCCC1 ZINC000657906105 411162409 /nfs/dbraw/zinc/16/24/09/411162409.db2.gz PHMVCZQYZAMJQT-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000657911514 411164825 /nfs/dbraw/zinc/16/48/25/411164825.db2.gz GGEJZSKZXKEEPS-HSBZDZAISA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000657911515 411165108 /nfs/dbraw/zinc/16/51/08/411165108.db2.gz GGEJZSKZXKEEPS-IYXRBSQSSA-N 1 0 227.392 3.502 20 0 BHADRO CCOC1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000657912741 411165814 /nfs/dbraw/zinc/16/58/14/411165814.db2.gz IYWVWLDUDDRHGQ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000657912823 411166316 /nfs/dbraw/zinc/16/63/16/411166316.db2.gz KHTCQNFCUBLQAT-RBAFREBBSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C(C)(C)C(F)F ZINC000657913411 411165660 /nfs/dbraw/zinc/16/56/60/411165660.db2.gz ORISPYNEZDEYST-DCAQKATOSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C(C)(C)C(F)F ZINC000657913412 411166182 /nfs/dbraw/zinc/16/61/82/411166182.db2.gz ORISPYNEZDEYST-GMTAPVOTSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCC1)C(C)(C)C(F)F ZINC000657913984 411165891 /nfs/dbraw/zinc/16/58/91/411165891.db2.gz RKTURKRDOUKYRO-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCC1)C(C)(C)C(F)F ZINC000657913985 411166310 /nfs/dbraw/zinc/16/63/10/411166310.db2.gz RKTURKRDOUKYRO-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000657915405 411166007 /nfs/dbraw/zinc/16/60/07/411166007.db2.gz KSXCHKKOPVELHH-OWCLPIDISA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000657915407 411166122 /nfs/dbraw/zinc/16/61/22/411166122.db2.gz KSXCHKKOPVELHH-PMPSAXMXSA-N 1 0 241.378 3.712 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc2cnccc2o1 ZINC000657915857 411166042 /nfs/dbraw/zinc/16/60/42/411166042.db2.gz YLZVEMYXYSPLDT-GMXVVIOVSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc2cnccc2o1 ZINC000657915859 411165673 /nfs/dbraw/zinc/16/56/73/411165673.db2.gz YLZVEMYXYSPLDT-GVXVVHGQSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc2cnccc2o1 ZINC000657915861 411166306 /nfs/dbraw/zinc/16/63/06/411166306.db2.gz YLZVEMYXYSPLDT-MDZLAQPJSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc2cnccc2o1 ZINC000657915863 411165782 /nfs/dbraw/zinc/16/57/82/411165782.db2.gz YLZVEMYXYSPLDT-NTZNESFSSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657916066 411166058 /nfs/dbraw/zinc/16/60/58/411166058.db2.gz SAFPJAXDFMFJJD-CMPLNLGQSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657916067 411165773 /nfs/dbraw/zinc/16/57/73/411165773.db2.gz SAFPJAXDFMFJJD-JQWIXIFHSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657916068 411165759 /nfs/dbraw/zinc/16/57/59/411165759.db2.gz SAFPJAXDFMFJJD-PWSUYJOCSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657916069 411166069 /nfs/dbraw/zinc/16/60/69/411166069.db2.gz SAFPJAXDFMFJJD-ZYHUDNBSSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)c1cc2cnccc2o1 ZINC000657919524 411165876 /nfs/dbraw/zinc/16/58/76/411165876.db2.gz MRDFYVAIEPQCSG-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)c1cc2cnccc2o1 ZINC000657919525 411166257 /nfs/dbraw/zinc/16/62/57/411166257.db2.gz MRDFYVAIEPQCSG-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000657920052 411166844 /nfs/dbraw/zinc/16/68/44/411166844.db2.gz VGPWNMBZRKXAIB-CRWXNKLISA-N 1 0 219.372 3.509 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000657920053 411166835 /nfs/dbraw/zinc/16/68/35/411166835.db2.gz VGPWNMBZRKXAIB-MQYQWHSLSA-N 1 0 219.372 3.509 20 0 BHADRO CC1(C)[C@H]([NH2+][C@H]2CC=CCC2)[C@@H]2CCC[C@@H]21 ZINC000657920054 411167188 /nfs/dbraw/zinc/16/71/88/411167188.db2.gz VGPWNMBZRKXAIB-RFQIPJPRSA-N 1 0 219.372 3.509 20 0 BHADRO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCC[C@@H]21 ZINC000657920055 411167114 /nfs/dbraw/zinc/16/71/14/411167114.db2.gz VGPWNMBZRKXAIB-YIYPIFLZSA-N 1 0 219.372 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cc2cnccc2o1 ZINC000657920214 411167758 /nfs/dbraw/zinc/16/77/58/411167758.db2.gz ZAFNPSGTPXVGBI-AAEUAGOBSA-N 1 0 242.322 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc2cnccc2o1 ZINC000657920215 411168161 /nfs/dbraw/zinc/16/81/61/411168161.db2.gz ZAFNPSGTPXVGBI-DGCLKSJQSA-N 1 0 242.322 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc2cnccc2o1 ZINC000657920216 411168048 /nfs/dbraw/zinc/16/80/48/411168048.db2.gz ZAFNPSGTPXVGBI-WCQYABFASA-N 1 0 242.322 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc2cnccc2o1 ZINC000657920217 411168165 /nfs/dbraw/zinc/16/81/65/411168165.db2.gz ZAFNPSGTPXVGBI-YPMHNXCESA-N 1 0 242.322 3.587 20 0 BHADRO CCOC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC000657921399 411166700 /nfs/dbraw/zinc/16/67/00/411166700.db2.gz UYIVYQOGSQPIRV-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)(C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000657921422 411166679 /nfs/dbraw/zinc/16/66/79/411166679.db2.gz VKVGMLQFDBSYGT-GFCCVEGCSA-N 1 0 229.433 3.688 20 0 BHADRO CC(C)(C)CCC[NH2+][C@H]1CCCSCC1 ZINC000657921423 411166686 /nfs/dbraw/zinc/16/66/86/411166686.db2.gz VKVGMLQFDBSYGT-LBPRGKRZSA-N 1 0 229.433 3.688 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657923079 411166915 /nfs/dbraw/zinc/16/69/15/411166915.db2.gz VLILJBHXKUVWQH-AVGNSLFASA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657923082 411166629 /nfs/dbraw/zinc/16/66/29/411166629.db2.gz VLILJBHXKUVWQH-RWMBFGLXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657923085 411166785 /nfs/dbraw/zinc/16/67/85/411166785.db2.gz VLILJBHXKUVWQH-XQQFMLRXSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657923087 411166847 /nfs/dbraw/zinc/16/68/47/411166847.db2.gz VLILJBHXKUVWQH-YNEHKIRRSA-N 1 0 229.433 3.686 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)C[C@H](C)CC)CC1 ZINC000657923145 411166666 /nfs/dbraw/zinc/16/66/66/411166666.db2.gz VZGKAUSQNKANOS-DNDYEEKYSA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)C[C@@H](C)CC)CC1 ZINC000657923147 411168225 /nfs/dbraw/zinc/16/82/25/411168225.db2.gz VZGKAUSQNKANOS-HESLUPGFSA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)C[C@H](C)CC)CC1 ZINC000657923150 411168065 /nfs/dbraw/zinc/16/80/65/411168065.db2.gz VZGKAUSQNKANOS-LMRVLLHPSA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)C[C@@H](C)CC)CC1 ZINC000657923152 411167664 /nfs/dbraw/zinc/16/76/64/411167664.db2.gz VZGKAUSQNKANOS-ZUJMUWTESA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)c1cc2cnccc2o1 ZINC000657923171 411168061 /nfs/dbraw/zinc/16/80/61/411168061.db2.gz BMTMLKSNCRSIJR-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)c1cc2cnccc2o1 ZINC000657923173 411167561 /nfs/dbraw/zinc/16/75/61/411167561.db2.gz BMTMLKSNCRSIJR-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cc2ccncc2s1 ZINC000657923197 411168030 /nfs/dbraw/zinc/16/80/30/411168030.db2.gz RITODYSDWVKPLJ-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cc2ccncc2s1 ZINC000657923200 411167921 /nfs/dbraw/zinc/16/79/21/411167921.db2.gz RITODYSDWVKPLJ-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cc2ccncc2s1 ZINC000657923316 411168568 /nfs/dbraw/zinc/16/85/68/411168568.db2.gz WWQFADPWULLIEQ-JTQLQIEISA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cc2ccncc2s1 ZINC000657923317 411168576 /nfs/dbraw/zinc/16/85/76/411168576.db2.gz WWQFADPWULLIEQ-SNVBAGLBSA-N 1 0 246.379 3.747 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cc2ccncc2s1 ZINC000657923638 488182476 /nfs/dbraw/zinc/18/24/76/488182476.db2.gz XDNWAEZLGGFSTM-SQLBVSGCSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cc2ccncc2s1 ZINC000657923639 488182768 /nfs/dbraw/zinc/18/27/68/488182768.db2.gz XDNWAEZLGGFSTM-YZRBJQDESA-N 1 0 246.379 3.745 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657923937 411168212 /nfs/dbraw/zinc/16/82/12/411168212.db2.gz LSVAHSYQTSSILP-JTQLQIEISA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)C1(C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657923938 411167935 /nfs/dbraw/zinc/16/79/35/411167935.db2.gz LSVAHSYQTSSILP-SNVBAGLBSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC(C)(C)C[NH2+]C1CC(CF)(CF)C1 ZINC000657923952 411167488 /nfs/dbraw/zinc/16/74/88/411167488.db2.gz LZKZLCKIHBLNTL-UHFFFAOYSA-N 1 0 247.373 3.736 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657924028 411168002 /nfs/dbraw/zinc/16/80/02/411168002.db2.gz NQNVEUYWYHNDIV-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657924029 411167705 /nfs/dbraw/zinc/16/77/05/411167705.db2.gz NQNVEUYWYHNDIV-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCF ZINC000657924619 411168228 /nfs/dbraw/zinc/16/82/28/411168228.db2.gz CSXVONKJIRJZFY-CYBMUJFWSA-N 1 0 243.753 3.610 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCF ZINC000657924620 411168115 /nfs/dbraw/zinc/16/81/15/411168115.db2.gz CSXVONKJIRJZFY-ZDUSSCGKSA-N 1 0 243.753 3.610 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657925779 488182793 /nfs/dbraw/zinc/18/27/93/488182793.db2.gz GPSYSMLCBFLNOX-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657925781 488182805 /nfs/dbraw/zinc/18/28/05/488182805.db2.gz GPSYSMLCBFLNOX-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCSCC2)CCCCC1 ZINC000657926113 488183695 /nfs/dbraw/zinc/18/36/95/488183695.db2.gz IUNJKMOZIPQSGY-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CC1(C[NH2+][C@H]2CCCSCC2)CCCCC1 ZINC000657926114 488183275 /nfs/dbraw/zinc/18/32/75/488183275.db2.gz IUNJKMOZIPQSGY-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657926152 488183591 /nfs/dbraw/zinc/18/35/91/488183591.db2.gz JWVFQSNPBPXWBE-CYBMUJFWSA-N 1 0 249.402 3.524 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCCn2nccc21 ZINC000657926153 488183767 /nfs/dbraw/zinc/18/37/67/488183767.db2.gz JWVFQSNPBPXWBE-ZDUSSCGKSA-N 1 0 249.402 3.524 20 0 BHADRO CC1(C[NH2+]C2CC(CF)(CF)C2)CCCCC1 ZINC000657926519 488183233 /nfs/dbraw/zinc/18/32/33/488183233.db2.gz LXSBDXCBSNGXEZ-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO CCCC1(C[NH2+]C2CC(CF)(CF)C2)CCC1 ZINC000657926526 488183763 /nfs/dbraw/zinc/18/37/63/488183763.db2.gz MDGWLTYNAKERSV-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657926875 411169674 /nfs/dbraw/zinc/16/96/74/411169674.db2.gz NCNYQZLVXYPEDD-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO CCCC1(C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657926877 411169091 /nfs/dbraw/zinc/16/90/91/411169091.db2.gz NCNYQZLVXYPEDD-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657926945 411169462 /nfs/dbraw/zinc/16/94/62/411169462.db2.gz PFCMGRREHXVVPZ-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)CC1(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657926948 411169351 /nfs/dbraw/zinc/16/93/51/411169351.db2.gz PFCMGRREHXVVPZ-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCCSCC2)CCC1 ZINC000657927467 488184410 /nfs/dbraw/zinc/18/44/10/488184410.db2.gz SXZPLMALUPHOOC-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCCSCC2)CCC1 ZINC000657927468 488184715 /nfs/dbraw/zinc/18/47/15/488184715.db2.gz SXZPLMALUPHOOC-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CCC(CC)(CC)C[NH2+]C1CC(CF)(CF)C1 ZINC000657927751 411169523 /nfs/dbraw/zinc/16/95/23/411169523.db2.gz XBTANDLWYWEETM-UHFFFAOYSA-N 1 0 247.373 3.880 20 0 BHADRO CCCC1(C[NH2+]C2CCC(OCC)CC2)CC1 ZINC000657928263 411169324 /nfs/dbraw/zinc/16/93/24/411169324.db2.gz SRUVPJPXRHWQKK-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CC1(C2CC2)CCC1)C(C)(C)C(F)F ZINC000657928736 411169599 /nfs/dbraw/zinc/16/95/99/411169599.db2.gz BUSARFVOIDSZPY-JTQLQIEISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)C(C)(C)C(F)F ZINC000657928737 411169704 /nfs/dbraw/zinc/16/97/04/411169704.db2.gz BUSARFVOIDSZPY-SNVBAGLBSA-N 1 0 245.357 3.836 20 0 BHADRO CCOC1CCC([NH2+]C(C(C)C)C(C)C)CC1 ZINC000657930376 411170921 /nfs/dbraw/zinc/17/09/21/411170921.db2.gz WDAFQQMWPTZZCH-UHFFFAOYSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc2cnccc2o1 ZINC000657930581 411170977 /nfs/dbraw/zinc/17/09/77/411170977.db2.gz CYPQKYRMKJANRW-GHMZBOCLSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C1CCC1 ZINC000657930582 411170456 /nfs/dbraw/zinc/17/04/56/411170456.db2.gz CYPQKYRMKJANRW-MNOVXSKESA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc2cnccc2o1 ZINC000657930587 411170371 /nfs/dbraw/zinc/17/03/71/411170371.db2.gz CYPQKYRMKJANRW-QWRGUYRKSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc2cnccc2o1 ZINC000657930590 411170757 /nfs/dbraw/zinc/17/07/57/411170757.db2.gz CYPQKYRMKJANRW-WDEREUQCSA-N 1 0 244.338 3.667 20 0 BHADRO CC(C)C([NH2+][C@@H]1CCCSCC1)C(C)C ZINC000657931097 411170431 /nfs/dbraw/zinc/17/04/31/411170431.db2.gz ZJJNKJNCWQIEEG-GFCCVEGCSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C([NH2+][C@H]1CCCSCC1)C(C)C ZINC000657931099 411170512 /nfs/dbraw/zinc/17/05/12/411170512.db2.gz ZJJNKJNCWQIEEG-LBPRGKRZSA-N 1 0 229.433 3.542 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657932836 411171563 /nfs/dbraw/zinc/17/15/63/411171563.db2.gz RKOQPWULFPGFKF-NEPJUHHUSA-N 1 0 246.354 3.913 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657932838 411171455 /nfs/dbraw/zinc/17/14/55/411171455.db2.gz RKOQPWULFPGFKF-NWDGAFQWSA-N 1 0 246.354 3.913 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657932840 411171464 /nfs/dbraw/zinc/17/14/64/411171464.db2.gz RKOQPWULFPGFKF-RYUDHWBXSA-N 1 0 246.354 3.913 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657932842 411171189 /nfs/dbraw/zinc/17/11/89/411171189.db2.gz RKOQPWULFPGFKF-VXGBXAGGSA-N 1 0 246.354 3.913 20 0 BHADRO C[C@@H]([NH2+]CC12CCC(CC1)C2)C(C)(C)C(F)F ZINC000657933595 411172402 /nfs/dbraw/zinc/17/24/02/411172402.db2.gz SRCKNBJEXACMTF-CDWSIMAYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC12CCC(CC1)C2)C(C)(C)C(F)F ZINC000657933597 411171920 /nfs/dbraw/zinc/17/19/20/411171920.db2.gz SRCKNBJEXACMTF-IFQILLTASA-N 1 0 245.357 3.836 20 0 BHADRO CCOC1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000657938902 411173914 /nfs/dbraw/zinc/17/39/14/411173914.db2.gz PLTSFCLKWCYOGE-MOKVOYLWSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000657938903 411174419 /nfs/dbraw/zinc/17/44/19/411174419.db2.gz PLTSFCLKWCYOGE-ROKHWSDSSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C(F)F ZINC000657939096 411173931 /nfs/dbraw/zinc/17/39/31/411173931.db2.gz QUJJVTZUEIIZPD-NXEZZACHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C(F)F ZINC000657939097 411174120 /nfs/dbraw/zinc/17/41/20/411174120.db2.gz QUJJVTZUEIIZPD-UWVGGRQHSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C(F)F ZINC000657939098 411174747 /nfs/dbraw/zinc/17/47/47/411174747.db2.gz QUJJVTZUEIIZPD-VHSXEESVSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C(F)F ZINC000657939099 411174754 /nfs/dbraw/zinc/17/47/54/411174754.db2.gz QUJJVTZUEIIZPD-ZJUUUORDSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cc2ccncc2s1 ZINC000657942554 411176276 /nfs/dbraw/zinc/17/62/76/411176276.db2.gz IQMLQMJMBZBZSH-NOZJJQNGSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc2ccncc2s1 ZINC000657942555 411176278 /nfs/dbraw/zinc/17/62/78/411176278.db2.gz IQMLQMJMBZBZSH-RNCFNFMXSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cc2ccncc2s1 ZINC000657942556 411176265 /nfs/dbraw/zinc/17/62/65/411176265.db2.gz IQMLQMJMBZBZSH-TVQRCGJNSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc2ccncc2s1 ZINC000657942557 411176484 /nfs/dbraw/zinc/17/64/84/411176484.db2.gz IQMLQMJMBZBZSH-ZANVPECISA-N 1 0 246.379 3.745 20 0 BHADRO c1ccc(C2([NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657942781 411176192 /nfs/dbraw/zinc/17/61/92/411176192.db2.gz DMOKCQYWRRANHO-AWEZNQCLSA-N 1 0 247.407 3.551 20 0 BHADRO c1ccc(C2([NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657942782 411176428 /nfs/dbraw/zinc/17/64/28/411176428.db2.gz DMOKCQYWRRANHO-CQSZACIVSA-N 1 0 247.407 3.551 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000657954595 411180190 /nfs/dbraw/zinc/18/01/90/411180190.db2.gz WGZWQYYDFPCXPN-USZNOCQGSA-N 1 0 243.341 3.589 20 0 BHADRO CC1(C)[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000657954596 411180038 /nfs/dbraw/zinc/18/00/38/411180038.db2.gz WGZWQYYDFPCXPN-WHOHXGKFSA-N 1 0 243.341 3.589 20 0 BHADRO CC1(C)[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000657954598 411179978 /nfs/dbraw/zinc/17/99/78/411179978.db2.gz WGZWQYYDFPCXPN-WISYIIOYSA-N 1 0 243.341 3.589 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000657954600 411180187 /nfs/dbraw/zinc/18/01/87/411180187.db2.gz WGZWQYYDFPCXPN-WYUUTHIRSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)C[C@H]1C ZINC000657973324 411184191 /nfs/dbraw/zinc/18/41/91/411184191.db2.gz IGDMKPIJAZVPNA-MQYQWHSLSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)C[C@@H]1C ZINC000657973326 411184593 /nfs/dbraw/zinc/18/45/93/411184593.db2.gz IGDMKPIJAZVPNA-RFGFWPKPSA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C[C@@H]1C ZINC000657973329 411184225 /nfs/dbraw/zinc/18/42/25/411184225.db2.gz IGDMKPIJAZVPNA-RQJABVFESA-N 1 0 241.444 3.686 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C[C@H]1C ZINC000657973331 411184634 /nfs/dbraw/zinc/18/46/34/411184634.db2.gz IGDMKPIJAZVPNA-SYQHCUMBSA-N 1 0 241.444 3.686 20 0 BHADRO C1=C(CC[NH2+][C@@H]2COC3(CCC3)C2)CCCCC1 ZINC000657977210 411185639 /nfs/dbraw/zinc/18/56/39/411185639.db2.gz XDDPNTZNMPTNDM-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO C1=C(CC[NH2+][C@H]2COC3(CCC3)C2)CCCCC1 ZINC000657977211 411186019 /nfs/dbraw/zinc/18/60/19/411186019.db2.gz XDDPNTZNMPTNDM-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000657977517 411185352 /nfs/dbraw/zinc/18/53/52/411185352.db2.gz CCUATYJKBKQOSN-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000657977518 411185218 /nfs/dbraw/zinc/18/52/18/411185218.db2.gz CCUATYJKBKQOSN-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H]1CCCSCC1 ZINC000657984368 411189262 /nfs/dbraw/zinc/18/92/62/411189262.db2.gz HDTRPDRZOQSCIG-GFCCVEGCSA-N 1 0 229.433 3.544 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H]1CCCSCC1 ZINC000657984369 411188535 /nfs/dbraw/zinc/18/85/35/411188535.db2.gz HDTRPDRZOQSCIG-LBPRGKRZSA-N 1 0 229.433 3.544 20 0 BHADRO CCOC1CCC([NH2+]CC(C)(C)C(C)C)CC1 ZINC000657984520 411189041 /nfs/dbraw/zinc/18/90/41/411189041.db2.gz IPBMABDTOPJPTE-UHFFFAOYSA-N 1 0 241.419 3.606 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657984697 411189105 /nfs/dbraw/zinc/18/91/05/411189105.db2.gz JZQKACJTPKSFBZ-LLVKDONJSA-N 1 0 245.357 3.633 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657984698 411189446 /nfs/dbraw/zinc/18/94/46/411189446.db2.gz JZQKACJTPKSFBZ-NSHDSACASA-N 1 0 245.357 3.633 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657985405 411190761 /nfs/dbraw/zinc/19/07/61/411190761.db2.gz QJTFQFMIHOQSLM-JTQLQIEISA-N 1 0 235.362 3.938 20 0 BHADRO CC(C)C(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657985406 411190646 /nfs/dbraw/zinc/19/06/46/411190646.db2.gz QJTFQFMIHOQSLM-SNVBAGLBSA-N 1 0 235.362 3.938 20 0 BHADRO C[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)(C)C(F)F ZINC000657985475 411190765 /nfs/dbraw/zinc/19/07/65/411190765.db2.gz SSHDCWQIBCBGNU-SECBINFHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]CC1CC(C)(C)C1)C(C)(C)C(F)F ZINC000657985476 411190555 /nfs/dbraw/zinc/19/05/55/411190555.db2.gz SSHDCWQIBCBGNU-VIFPVBQESA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657985551 411189916 /nfs/dbraw/zinc/18/99/16/411189916.db2.gz QKLUUOSIRYYMPM-HZSPNIEDSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSCC2)CC1 ZINC000657985553 411190533 /nfs/dbraw/zinc/19/05/33/411190533.db2.gz QKLUUOSIRYYMPM-MCIONIFRSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657985554 411190567 /nfs/dbraw/zinc/19/05/67/411190567.db2.gz QKLUUOSIRYYMPM-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSCC2)CC1 ZINC000657985555 411190740 /nfs/dbraw/zinc/19/07/40/411190740.db2.gz QKLUUOSIRYYMPM-RDBSUJKOSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657986381 411190602 /nfs/dbraw/zinc/19/06/02/411190602.db2.gz WJMXWRGOPKYWSD-NEPJUHHUSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657986383 411190099 /nfs/dbraw/zinc/19/00/99/411190099.db2.gz WJMXWRGOPKYWSD-NWDGAFQWSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657986388 411189989 /nfs/dbraw/zinc/18/99/89/411189989.db2.gz WJMXWRGOPKYWSD-RYUDHWBXSA-N 1 0 245.357 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657986389 411190042 /nfs/dbraw/zinc/19/00/42/411190042.db2.gz WJMXWRGOPKYWSD-VXGBXAGGSA-N 1 0 245.357 3.633 20 0 BHADRO CC(C)C(C[NH2+]C1CC(CF)(CF)C1)C(C)C ZINC000657986641 411190213 /nfs/dbraw/zinc/19/02/13/411190213.db2.gz HMMFRDPUZHLGER-UHFFFAOYSA-N 1 0 247.373 3.592 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657987812 411191096 /nfs/dbraw/zinc/19/10/96/411191096.db2.gz BZFLOFPBLFPWKB-JTQLQIEISA-N 1 0 219.319 3.612 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657987814 411191095 /nfs/dbraw/zinc/19/10/95/411191095.db2.gz BZFLOFPBLFPWKB-SNVBAGLBSA-N 1 0 219.319 3.612 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657988369 632667733 /nfs/dbraw/zinc/66/77/33/632667733.db2.gz CZKBQHDJJGUZMV-LLVKDONJSA-N 1 0 246.354 3.915 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657988370 632667830 /nfs/dbraw/zinc/66/78/30/632667830.db2.gz CZKBQHDJJGUZMV-NSHDSACASA-N 1 0 246.354 3.915 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)C(C)(C)C(F)F ZINC000657988806 490299495 /nfs/dbraw/zinc/29/94/95/490299495.db2.gz GMOASHYRLSQSAU-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)C(C)(C)C(F)F ZINC000657988807 490299403 /nfs/dbraw/zinc/29/94/03/490299403.db2.gz GMOASHYRLSQSAU-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)C(C)(C)C(F)F ZINC000657988808 490299313 /nfs/dbraw/zinc/29/93/13/490299313.db2.gz GMOASHYRLSQSAU-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)C(C)(C)C(F)F ZINC000657988809 490299570 /nfs/dbraw/zinc/29/95/70/490299570.db2.gz GMOASHYRLSQSAU-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657990005 411191327 /nfs/dbraw/zinc/19/13/27/411191327.db2.gz REPQYVIFXHSVKO-LLVKDONJSA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657990006 411191365 /nfs/dbraw/zinc/19/13/65/411191365.db2.gz REPQYVIFXHSVKO-NSHDSACASA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657991105 411191582 /nfs/dbraw/zinc/19/15/82/411191582.db2.gz YGFKSIFIUQOVCQ-JTQLQIEISA-N 1 0 240.297 3.636 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657991106 411191266 /nfs/dbraw/zinc/19/12/66/411191266.db2.gz YGFKSIFIUQOVCQ-SNVBAGLBSA-N 1 0 240.297 3.636 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657991135 411191557 /nfs/dbraw/zinc/19/15/57/411191557.db2.gz YMWOJNWQAGJNGT-GFCCVEGCSA-N 1 0 244.338 3.835 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657991136 411191412 /nfs/dbraw/zinc/19/14/12/411191412.db2.gz YMWOJNWQAGJNGT-LBPRGKRZSA-N 1 0 244.338 3.835 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657991922 411191546 /nfs/dbraw/zinc/19/15/46/411191546.db2.gz ZZWDMJGZTBIITJ-SECBINFHSA-N 1 0 221.335 3.692 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657991923 411191248 /nfs/dbraw/zinc/19/12/48/411191248.db2.gz ZZWDMJGZTBIITJ-VIFPVBQESA-N 1 0 221.335 3.692 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C(F)F ZINC000657992435 411191579 /nfs/dbraw/zinc/19/15/79/411191579.db2.gz JXFJELZRJWTFDA-JTQLQIEISA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C(F)F ZINC000657992436 411191554 /nfs/dbraw/zinc/19/15/54/411191554.db2.gz JXFJELZRJWTFDA-SNVBAGLBSA-N 1 0 245.357 3.979 20 0 BHADRO C1CC12CCC([NH2+][C@@H]1CCCSCC1)CC2 ZINC000657993147 411191284 /nfs/dbraw/zinc/19/12/84/411191284.db2.gz XAQKZFATNKNMOA-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO C1CC12CCC([NH2+][C@H]1CCCSCC1)CC2 ZINC000657993148 411191243 /nfs/dbraw/zinc/19/12/43/411191243.db2.gz XAQKZFATNKNMOA-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO c1cc2cccc(C[NH2+][C@H]3CCCC34CC4)c2[nH]1 ZINC000657993239 411191739 /nfs/dbraw/zinc/19/17/39/411191739.db2.gz FEDKJSYMMJLYHP-AWEZNQCLSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cccc(C[NH2+][C@@H]3CCCC34CC4)c2[nH]1 ZINC000657993241 411191670 /nfs/dbraw/zinc/19/16/70/411191670.db2.gz FEDKJSYMMJLYHP-CQSZACIVSA-N 1 0 240.350 3.590 20 0 BHADRO Cc1cscc1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657993821 411191970 /nfs/dbraw/zinc/19/19/70/411191970.db2.gz LEQYKRWGIWMRQM-SECBINFHSA-N 1 0 247.354 3.826 20 0 BHADRO Cc1cscc1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657993822 411191960 /nfs/dbraw/zinc/19/19/60/411191960.db2.gz LEQYKRWGIWMRQM-VIFPVBQESA-N 1 0 247.354 3.826 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657999524 411193140 /nfs/dbraw/zinc/19/31/40/411193140.db2.gz JBOHCZZKYPUHRJ-GMTAPVOTSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657999525 411193089 /nfs/dbraw/zinc/19/30/89/411193089.db2.gz JBOHCZZKYPUHRJ-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657999526 411193214 /nfs/dbraw/zinc/19/32/14/411193214.db2.gz JBOHCZZKYPUHRJ-OUAUKWLOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657999527 411193448 /nfs/dbraw/zinc/19/34/48/411193448.db2.gz JBOHCZZKYPUHRJ-VWYCJHECSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]CCC1(C)CC1)c1cc2cnccc2o1 ZINC000657999643 411194359 /nfs/dbraw/zinc/19/43/59/411194359.db2.gz XIGQKXJUHIZGSW-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CCC1(C)CC1)c1cc2cnccc2o1 ZINC000657999644 411194277 /nfs/dbraw/zinc/19/42/77/411194277.db2.gz XIGQKXJUHIZGSW-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000658002170 411193927 /nfs/dbraw/zinc/19/39/27/411193927.db2.gz STCGWVIVEUMPHO-GMTAPVOTSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000658002172 411194089 /nfs/dbraw/zinc/19/40/89/411194089.db2.gz STCGWVIVEUMPHO-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000658002174 411193898 /nfs/dbraw/zinc/19/38/98/411193898.db2.gz STCGWVIVEUMPHO-OUAUKWLOSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000658002175 411194212 /nfs/dbraw/zinc/19/42/12/411194212.db2.gz STCGWVIVEUMPHO-VWYCJHECSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccsc1 ZINC000658002399 411194281 /nfs/dbraw/zinc/19/42/81/411194281.db2.gz AYLXKCZEZCLLCS-CMPLNLGQSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCSCC1)c1ccsc1 ZINC000658002400 411193912 /nfs/dbraw/zinc/19/39/12/411193912.db2.gz AYLXKCZEZCLLCS-JQWIXIFHSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccsc1 ZINC000658002401 411194273 /nfs/dbraw/zinc/19/42/73/411194273.db2.gz AYLXKCZEZCLLCS-PWSUYJOCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccsc1 ZINC000658002402 411194027 /nfs/dbraw/zinc/19/40/27/411194027.db2.gz AYLXKCZEZCLLCS-ZYHUDNBSSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]CCC1(F)CCC1)C(C)(C)C(F)F ZINC000658014238 411197357 /nfs/dbraw/zinc/19/73/57/411197357.db2.gz MIXGCFMSXWUVLR-SECBINFHSA-N 1 0 237.309 3.538 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc2ccncc2s1 ZINC000658014326 411197848 /nfs/dbraw/zinc/19/78/48/411197848.db2.gz YJFJLOKPOUFRJJ-JBLDHEPKSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc2ccncc2s1 ZINC000658014328 411197766 /nfs/dbraw/zinc/19/77/66/411197766.db2.gz YJFJLOKPOUFRJJ-JFGNBEQYSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc2ccncc2s1 ZINC000658014329 411197799 /nfs/dbraw/zinc/19/77/99/411197799.db2.gz YJFJLOKPOUFRJJ-NHCYSSNCSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc2ccncc2s1 ZINC000658014330 411197437 /nfs/dbraw/zinc/19/74/37/411197437.db2.gz YJFJLOKPOUFRJJ-SCVCMEIPSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+]CCC1(F)CCC1)C(C)(C)C(F)F ZINC000658014563 411197864 /nfs/dbraw/zinc/19/78/64/411197864.db2.gz MIXGCFMSXWUVLR-VIFPVBQESA-N 1 0 237.309 3.538 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000658016092 411198270 /nfs/dbraw/zinc/19/82/70/411198270.db2.gz VSXIGIKBCXSFJP-AGIUHOORSA-N 1 0 239.378 3.683 20 0 BHADRO CC1(C)[C@H]([NH2+]CCC2(F)CCC2)[C@@H]2CCC[C@@H]21 ZINC000658016093 411198745 /nfs/dbraw/zinc/19/87/45/411198745.db2.gz VSXIGIKBCXSFJP-FRRDWIJNSA-N 1 0 239.378 3.683 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]C1CC(CF)(CF)C1 ZINC000658021528 411200054 /nfs/dbraw/zinc/20/00/54/411200054.db2.gz MLJFITRVULQSHD-UHFFFAOYSA-N 1 0 247.373 3.736 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022106 411200453 /nfs/dbraw/zinc/20/04/53/411200453.db2.gz ZWHMJJXERSSNDT-DYEKYZERSA-N 1 0 233.355 3.502 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022107 411200391 /nfs/dbraw/zinc/20/03/91/411200391.db2.gz ZWHMJJXERSSNDT-MBNYWOFBSA-N 1 0 233.355 3.502 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCSCC1 ZINC000658022211 411200364 /nfs/dbraw/zinc/20/03/64/411200364.db2.gz WLGHHZKIJCPRCT-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCSCC1 ZINC000658022212 411200500 /nfs/dbraw/zinc/20/05/00/411200500.db2.gz WLGHHZKIJCPRCT-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO CC(C)(CC[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000658022421 411200991 /nfs/dbraw/zinc/20/09/91/411200991.db2.gz AHWBATACCZMKKM-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(CC[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000658022422 411200849 /nfs/dbraw/zinc/20/08/49/411200849.db2.gz AHWBATACCZMKKM-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)CC1 ZINC000658022582 411200478 /nfs/dbraw/zinc/20/04/78/411200478.db2.gz AZEUCLZWDBRIRG-IHRRRGAJSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)CC1 ZINC000658022583 411200613 /nfs/dbraw/zinc/20/06/13/411200613.db2.gz AZEUCLZWDBRIRG-MGPQQGTHSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000658023097 411200409 /nfs/dbraw/zinc/20/04/09/411200409.db2.gz JYGHGBRBNPVXJF-CPCZMJQVSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)C1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000658023098 411200837 /nfs/dbraw/zinc/20/08/37/411200837.db2.gz JYGHGBRBNPVXJF-OTTFEQOBSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000658023572 411201888 /nfs/dbraw/zinc/20/18/88/411201888.db2.gz OCEJKTZMOVDSGN-HAQNSBGRSA-N 1 0 245.357 3.633 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658024081 411201653 /nfs/dbraw/zinc/20/16/53/411201653.db2.gz QHTMTYLKSLVNNA-CHWSQXEVSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000658024083 411201430 /nfs/dbraw/zinc/20/14/30/411201430.db2.gz QHTMTYLKSLVNNA-OLZOCXBDSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658024084 411201927 /nfs/dbraw/zinc/20/19/27/411201927.db2.gz QHTMTYLKSLVNNA-QWHCGFSZSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000658024085 411201650 /nfs/dbraw/zinc/20/16/50/411201650.db2.gz QHTMTYLKSLVNNA-STQMWFEESA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)C1([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000658024405 411201369 /nfs/dbraw/zinc/20/13/69/411201369.db2.gz UKQNJNBPMUOSPB-LLVKDONJSA-N 1 0 244.338 3.667 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000658024407 411201930 /nfs/dbraw/zinc/20/19/30/411201930.db2.gz UKQNJNBPMUOSPB-NSHDSACASA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+]CC1=CCCCC1)C(C)(C)C(F)F ZINC000658024702 411202496 /nfs/dbraw/zinc/20/24/96/411202496.db2.gz OJXLYWDJFRJIIO-JTQLQIEISA-N 1 0 231.330 3.756 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCCC1)C(C)(C)C(F)F ZINC000658024703 411202937 /nfs/dbraw/zinc/20/29/37/411202937.db2.gz OJXLYWDJFRJIIO-SNVBAGLBSA-N 1 0 231.330 3.756 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658024773 411202859 /nfs/dbraw/zinc/20/28/59/411202859.db2.gz WTYCFVIYWGYQBR-GRYCIOLGSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658024774 411202988 /nfs/dbraw/zinc/20/29/88/411202988.db2.gz WTYCFVIYWGYQBR-WOPDTQHZSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(F)F)C(C)(C)C(F)F ZINC000658025039 411202719 /nfs/dbraw/zinc/20/27/19/411202719.db2.gz YZLZCQSDDNJFBL-MRVPVSSYSA-N 1 0 243.288 3.691 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)C(C)(C)C(F)F ZINC000658025044 411202541 /nfs/dbraw/zinc/20/25/41/411202541.db2.gz YZLZCQSDDNJFBL-QMMMGPOBSA-N 1 0 243.288 3.691 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(CF)(CF)C1)C(C)(C)C ZINC000658026033 411203613 /nfs/dbraw/zinc/20/36/13/411203613.db2.gz BKMVIWXDPKSFHQ-GFCCVEGCSA-N 1 0 247.373 3.879 20 0 BHADRO CCC[C@H]([NH2+]C1CC(CF)(CF)C1)C(C)(C)C ZINC000658026034 411203466 /nfs/dbraw/zinc/20/34/66/411203466.db2.gz BKMVIWXDPKSFHQ-LBPRGKRZSA-N 1 0 247.373 3.879 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000658026216 411203657 /nfs/dbraw/zinc/20/36/57/411203657.db2.gz BWKHGZVGYHTXSY-SECBINFHSA-N 1 0 240.297 3.612 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000658026218 411203556 /nfs/dbraw/zinc/20/35/56/411203556.db2.gz BWKHGZVGYHTXSY-VIFPVBQESA-N 1 0 240.297 3.612 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000658026488 411203305 /nfs/dbraw/zinc/20/33/05/411203305.db2.gz FOWSCDOGJHLATL-JTQLQIEISA-N 1 0 246.379 3.890 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000658026490 411203720 /nfs/dbraw/zinc/20/37/20/411203720.db2.gz FOWSCDOGJHLATL-SNVBAGLBSA-N 1 0 246.379 3.890 20 0 BHADRO Cc1csc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000658027151 411204468 /nfs/dbraw/zinc/20/44/68/411204468.db2.gz KHAVDUUABVLPMI-SECBINFHSA-N 1 0 247.354 3.826 20 0 BHADRO Cc1csc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000658027153 411205129 /nfs/dbraw/zinc/20/51/29/411205129.db2.gz KHAVDUUABVLPMI-VIFPVBQESA-N 1 0 247.354 3.826 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658027410 411204421 /nfs/dbraw/zinc/20/44/21/411204421.db2.gz NARZMLABNLWXEL-HZSPNIEDSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000658027412 411204514 /nfs/dbraw/zinc/20/45/14/411204514.db2.gz NARZMLABNLWXEL-MCIONIFRSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658027414 411204961 /nfs/dbraw/zinc/20/49/61/411204961.db2.gz NARZMLABNLWXEL-MGPQQGTHSA-N 1 0 241.444 3.688 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658027415 411204335 /nfs/dbraw/zinc/20/43/35/411204335.db2.gz MIHSKKCIAQWEHR-LWTINBJPSA-N 1 0 240.297 3.636 20 0 BHADRO CC[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000658027416 411204703 /nfs/dbraw/zinc/20/47/03/411204703.db2.gz NARZMLABNLWXEL-RDBSUJKOSA-N 1 0 241.444 3.688 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658027417 411204244 /nfs/dbraw/zinc/20/42/44/411204244.db2.gz MIHSKKCIAQWEHR-ORAHPGNNSA-N 1 0 240.297 3.636 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658027419 411204850 /nfs/dbraw/zinc/20/48/50/411204850.db2.gz MIHSKKCIAQWEHR-UMCURTJPSA-N 1 0 240.297 3.636 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658027420 411204837 /nfs/dbraw/zinc/20/48/37/411204837.db2.gz MIHSKKCIAQWEHR-YEZKRMTDSA-N 1 0 240.297 3.636 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658027469 411204677 /nfs/dbraw/zinc/20/46/77/411204677.db2.gz MWLJIODUMCWLFZ-GFCCVEGCSA-N 1 0 245.357 3.799 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000658027475 411204689 /nfs/dbraw/zinc/20/46/89/411204689.db2.gz MWLJIODUMCWLFZ-LBPRGKRZSA-N 1 0 245.357 3.799 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000658027522 411205116 /nfs/dbraw/zinc/20/51/16/411205116.db2.gz NFOMLPFSLFRIKU-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000658027524 411204298 /nfs/dbraw/zinc/20/42/98/411204298.db2.gz NFOMLPFSLFRIKU-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000658027527 411204667 /nfs/dbraw/zinc/20/46/67/411204667.db2.gz NFOMLPFSLFRIKU-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000658027529 411204230 /nfs/dbraw/zinc/20/42/30/411204230.db2.gz NFOMLPFSLFRIKU-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000658027731 411204177 /nfs/dbraw/zinc/20/41/77/411204177.db2.gz NWXBXSGCZOVAGL-KBPBESRZSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000658027732 411204694 /nfs/dbraw/zinc/20/46/94/411204694.db2.gz NWXBXSGCZOVAGL-KGLIPLIRSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000658027733 411205073 /nfs/dbraw/zinc/20/50/73/411205073.db2.gz NWXBXSGCZOVAGL-UONOGXRCSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000658027734 411204427 /nfs/dbraw/zinc/20/44/27/411204427.db2.gz NWXBXSGCZOVAGL-ZIAGYGMSSA-N 1 0 241.444 3.997 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCn2nccc21)C(C)(C)C ZINC000658027754 411205014 /nfs/dbraw/zinc/20/50/14/411205014.db2.gz OIWSYPLDAHPWMB-GXTWGEPZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCn2nccc21)C(C)(C)C ZINC000658027755 411205084 /nfs/dbraw/zinc/20/50/84/411205084.db2.gz OIWSYPLDAHPWMB-JSGCOSHPSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCn2nccc21)C(C)(C)C ZINC000658027756 411204608 /nfs/dbraw/zinc/20/46/08/411204608.db2.gz OIWSYPLDAHPWMB-OCCSQVGLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(C)(C)C ZINC000658027757 411204486 /nfs/dbraw/zinc/20/44/86/411204486.db2.gz OIWSYPLDAHPWMB-TZMCWYRMSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCSCC1)C1CCC1 ZINC000658028761 411205254 /nfs/dbraw/zinc/20/52/54/411205254.db2.gz FKMPQPLFMVDJLF-CYBMUJFWSA-N 1 0 241.444 3.688 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCSCC1)C1CCC1 ZINC000658028762 411205521 /nfs/dbraw/zinc/20/55/21/411205521.db2.gz FKMPQPLFMVDJLF-ZDUSSCGKSA-N 1 0 241.444 3.688 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658028993 411205763 /nfs/dbraw/zinc/20/57/63/411205763.db2.gz WTEJDMXRPHKZNQ-DOGVGXBMSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658028995 411205496 /nfs/dbraw/zinc/20/54/96/411205496.db2.gz WTEJDMXRPHKZNQ-SGUJLRQBSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658028997 411205724 /nfs/dbraw/zinc/20/57/24/411205724.db2.gz WTEJDMXRPHKZNQ-WYGGZMRJSA-N 1 0 246.379 3.913 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658028998 411205470 /nfs/dbraw/zinc/20/54/70/411205470.db2.gz WTEJDMXRPHKZNQ-ZWNMCFTASA-N 1 0 246.379 3.913 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658029463 411206929 /nfs/dbraw/zinc/20/69/29/411206929.db2.gz JIIZTDIHBAPZNE-DCAQKATOSA-N 1 0 233.346 3.548 20 0 BHADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658029465 411206711 /nfs/dbraw/zinc/20/67/11/411206711.db2.gz JIIZTDIHBAPZNE-VWYCJHECSA-N 1 0 233.346 3.548 20 0 BHADRO FCC1(CF)CC([NH2+]CC2CCCCCC2)C1 ZINC000658030129 411207906 /nfs/dbraw/zinc/20/79/06/411207906.db2.gz OKBLCTIQZWYLSE-UHFFFAOYSA-N 1 0 245.357 3.634 20 0 BHADRO C([NH2+][C@H]1CCCSCC1)C1CCCCCC1 ZINC000658030909 411208439 /nfs/dbraw/zinc/20/84/39/411208439.db2.gz XEDDDMYGRRDAJJ-AWEZNQCLSA-N 1 0 241.444 3.832 20 0 BHADRO C([NH2+][C@@H]1CCCSCC1)C1CCCCCC1 ZINC000658030910 411208368 /nfs/dbraw/zinc/20/83/68/411208368.db2.gz XEDDDMYGRRDAJJ-CQSZACIVSA-N 1 0 241.444 3.832 20 0 BHADRO CC[C@@H]([NH2+]C1CC(CF)(CF)C1)C1CCCC1 ZINC000658031237 411208662 /nfs/dbraw/zinc/20/86/62/411208662.db2.gz CWLJNHRPVIVRCA-CYBMUJFWSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@H]([NH2+]C1CC(CF)(CF)C1)C1CCCC1 ZINC000658031238 411208750 /nfs/dbraw/zinc/20/87/50/411208750.db2.gz CWLJNHRPVIVRCA-ZDUSSCGKSA-N 1 0 245.357 3.633 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658031287 411208461 /nfs/dbraw/zinc/20/84/61/411208461.db2.gz ZRPUFWTYCRQGGR-TUAOUCFPSA-N 1 0 244.338 3.525 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658031289 411208594 /nfs/dbraw/zinc/20/85/94/411208594.db2.gz ZRPUFWTYCRQGGR-UTUOFQBUSA-N 1 0 244.338 3.525 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCSCC1 ZINC000658031388 411208492 /nfs/dbraw/zinc/20/84/92/411208492.db2.gz KMROCXBDGBQRCH-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCSCC1 ZINC000658031389 411208633 /nfs/dbraw/zinc/20/86/33/411208633.db2.gz KMROCXBDGBQRCH-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCSCC1 ZINC000658031390 411208361 /nfs/dbraw/zinc/20/83/61/411208361.db2.gz KMROCXBDGBQRCH-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCSCC1 ZINC000658031391 411208524 /nfs/dbraw/zinc/20/85/24/411208524.db2.gz KMROCXBDGBQRCH-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000658031738 411207412 /nfs/dbraw/zinc/20/74/12/411207412.db2.gz MYZTYJDBCSGPLI-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000658031739 411207479 /nfs/dbraw/zinc/20/74/79/411207479.db2.gz MYZTYJDBCSGPLI-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSCC1)C1CCCC1 ZINC000658031763 411208616 /nfs/dbraw/zinc/20/86/16/411208616.db2.gz IDNUEQMDOAVXBE-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSCC1)C1CCCC1 ZINC000658031764 411208677 /nfs/dbraw/zinc/20/86/77/411208677.db2.gz IDNUEQMDOAVXBE-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCSCC1)C1CCCC1 ZINC000658031765 411208303 /nfs/dbraw/zinc/20/83/03/411208303.db2.gz IDNUEQMDOAVXBE-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCSCC1)C1CCCC1 ZINC000658031766 411208433 /nfs/dbraw/zinc/20/84/33/411208433.db2.gz IDNUEQMDOAVXBE-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCSCC2)c1 ZINC000658032505 411210499 /nfs/dbraw/zinc/21/04/99/411210499.db2.gz RWWGFWYAJYBTKL-DZGCQCFKSA-N 1 0 249.423 3.931 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCCSCC2)c1 ZINC000658032510 411210626 /nfs/dbraw/zinc/21/06/26/411210626.db2.gz RWWGFWYAJYBTKL-ZFWWWQNUSA-N 1 0 249.423 3.931 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C(C)(C)C(F)F ZINC000658033347 411211432 /nfs/dbraw/zinc/21/14/32/411211432.db2.gz AJGBCEMDRYGENR-IVZWLZJFSA-N 1 0 237.309 3.537 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C(C)(C)C(F)F ZINC000658033351 411211047 /nfs/dbraw/zinc/21/10/47/411211047.db2.gz AJGBCEMDRYGENR-OPRDCNLKSA-N 1 0 237.309 3.537 20 0 BHADRO C1CC(C2([NH2+][C@@H]3CCCSCC3)CCC2)C1 ZINC000658034219 411209527 /nfs/dbraw/zinc/20/95/27/411209527.db2.gz DYDDKFSWZGCDSO-CYBMUJFWSA-N 1 0 239.428 3.585 20 0 BHADRO C1CC(C2([NH2+][C@H]3CCCSCC3)CCC2)C1 ZINC000658034220 411209017 /nfs/dbraw/zinc/20/90/17/411209017.db2.gz DYDDKFSWZGCDSO-ZDUSSCGKSA-N 1 0 239.428 3.585 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658036802 411212176 /nfs/dbraw/zinc/21/21/76/411212176.db2.gz YXRBENMFTBMEKE-GMTAPVOTSA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658036806 411212506 /nfs/dbraw/zinc/21/25/06/411212506.db2.gz YXRBENMFTBMEKE-HBNTYKKESA-N 1 0 233.346 3.690 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC12CC2 ZINC000658038478 411213611 /nfs/dbraw/zinc/21/36/11/411213611.db2.gz PENGRHYOTGMAQZ-KBPBESRZSA-N 1 0 249.785 3.803 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC12CC2 ZINC000658038479 411213459 /nfs/dbraw/zinc/21/34/59/411213459.db2.gz PENGRHYOTGMAQZ-KGLIPLIRSA-N 1 0 249.785 3.803 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC12CC2 ZINC000658038480 411213293 /nfs/dbraw/zinc/21/32/93/411213293.db2.gz PENGRHYOTGMAQZ-UONOGXRCSA-N 1 0 249.785 3.803 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC12CC2 ZINC000658038481 411213761 /nfs/dbraw/zinc/21/37/61/411213761.db2.gz PENGRHYOTGMAQZ-ZIAGYGMSSA-N 1 0 249.785 3.803 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000658038549 411213378 /nfs/dbraw/zinc/21/33/78/411213378.db2.gz QHYMNTYZSDBFDX-VVSAWPALSA-N 1 0 245.366 3.550 20 0 BHADRO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000658038550 411213573 /nfs/dbraw/zinc/21/35/73/411213573.db2.gz QHYMNTYZSDBFDX-ZHZXCYKASA-N 1 0 245.366 3.550 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C(C)(C)C(F)F ZINC000658038868 411214907 /nfs/dbraw/zinc/21/49/07/411214907.db2.gz SOXBUWLNIQMSIC-DLOVCJGASA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C(C)(C)C(F)F ZINC000658038870 411214550 /nfs/dbraw/zinc/21/45/50/411214550.db2.gz SOXBUWLNIQMSIC-USWWRNFRSA-N 1 0 245.357 3.692 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSCC1)[C@@H]1CC1(C)C ZINC000658039087 411214705 /nfs/dbraw/zinc/21/47/05/411214705.db2.gz VYROIBDIJRYDIO-AGIUHOORSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSCC1)[C@@H]1CC1(C)C ZINC000658039088 411214488 /nfs/dbraw/zinc/21/44/88/411214488.db2.gz VYROIBDIJRYDIO-AVGNSLFASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCSCC1)[C@H]1CC1(C)C ZINC000658039089 411214492 /nfs/dbraw/zinc/21/44/92/411214492.db2.gz VYROIBDIJRYDIO-UPJWGTAASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCSCC1)[C@H]1CC1(C)C ZINC000658039090 411214671 /nfs/dbraw/zinc/21/46/71/411214671.db2.gz VYROIBDIJRYDIO-XQQFMLRXSA-N 1 0 241.444 3.686 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000658041895 411214524 /nfs/dbraw/zinc/21/45/24/411214524.db2.gz KSXCHKKOPVELHH-BZUAXINKSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000658041896 411214666 /nfs/dbraw/zinc/21/46/66/411214666.db2.gz KSXCHKKOPVELHH-OAGGEKHMSA-N 1 0 241.378 3.712 20 0 BHADRO CCc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000658043831 411216896 /nfs/dbraw/zinc/21/68/96/411216896.db2.gz LRYSTQKCHDYQIK-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000658043832 411216395 /nfs/dbraw/zinc/21/63/95/411216395.db2.gz LRYSTQKCHDYQIK-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)C(C)(C)C(F)F ZINC000658044435 411216706 /nfs/dbraw/zinc/21/67/06/411216706.db2.gz NPCKKCULSRCXHA-SECBINFHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)C(C)(C)C(F)F ZINC000658044436 411216568 /nfs/dbraw/zinc/21/65/68/411216568.db2.gz NPCKKCULSRCXHA-VIFPVBQESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)CC(F)F ZINC000658044521 411216737 /nfs/dbraw/zinc/21/67/37/411216737.db2.gz IIILQMYHTYKWGI-HTQZYQBOSA-N 1 0 243.288 3.547 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)C(C)(C)C(F)F ZINC000658044522 411216588 /nfs/dbraw/zinc/21/65/88/411216588.db2.gz IIILQMYHTYKWGI-JGVFFNPUSA-N 1 0 243.288 3.547 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)CC(F)F ZINC000658044523 411216315 /nfs/dbraw/zinc/21/63/15/411216315.db2.gz IIILQMYHTYKWGI-SFYZADRCSA-N 1 0 243.288 3.547 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)CC(F)F ZINC000658044524 411216476 /nfs/dbraw/zinc/21/64/76/411216476.db2.gz IIILQMYHTYKWGI-YUMQZZPRSA-N 1 0 243.288 3.547 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cc2cnccc2o1 ZINC000658044775 411216540 /nfs/dbraw/zinc/21/65/40/411216540.db2.gz QPLPDGMWELCNFH-GHMZBOCLSA-N 1 0 246.354 3.913 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(C)(C)C ZINC000658044778 411216900 /nfs/dbraw/zinc/21/69/00/411216900.db2.gz QPLPDGMWELCNFH-WDEREUQCSA-N 1 0 246.354 3.913 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)CC(F)F ZINC000658045070 411217283 /nfs/dbraw/zinc/21/72/83/411217283.db2.gz LAIVBRZYOZYSEB-DCQANWLSSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)CC(F)F ZINC000658045073 411217406 /nfs/dbraw/zinc/21/74/06/411217406.db2.gz LAIVBRZYOZYSEB-HNCHTBHHSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)CC(F)F ZINC000658045075 411217450 /nfs/dbraw/zinc/21/74/50/411217450.db2.gz LAIVBRZYOZYSEB-NOHGZBONSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)CC(F)F ZINC000658045078 411217507 /nfs/dbraw/zinc/21/75/07/411217507.db2.gz LAIVBRZYOZYSEB-SRRSOLGSSA-N 1 0 245.357 3.692 20 0 BHADRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658047499 411219010 /nfs/dbraw/zinc/21/90/10/411219010.db2.gz RKSWIVVKMWRIRM-RWMBFGLXSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658047500 411218991 /nfs/dbraw/zinc/21/89/91/411218991.db2.gz RKSWIVVKMWRIRM-YNEHKIRRSA-N 1 0 241.444 3.686 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000658047872 411218520 /nfs/dbraw/zinc/21/85/20/411218520.db2.gz TYJHAUXAEYGLGL-ARFHVFGLSA-N 1 0 241.378 3.773 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000658047873 411217989 /nfs/dbraw/zinc/21/79/89/411217989.db2.gz TYJHAUXAEYGLGL-XHSDSOJGSA-N 1 0 241.378 3.773 20 0 BHADRO COC1CC(CC[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000658054478 411221502 /nfs/dbraw/zinc/22/15/02/411221502.db2.gz CETXDGHWOVCXBC-NFOMZHRRSA-N 1 0 239.403 3.526 20 0 BHADRO COC1CC(CC[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000658054479 411221061 /nfs/dbraw/zinc/22/10/61/411221061.db2.gz CETXDGHWOVCXBC-WLYUNCDWSA-N 1 0 239.403 3.526 20 0 BHADRO COC1CC(CC[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000658054514 411220805 /nfs/dbraw/zinc/22/08/05/411220805.db2.gz CWBKFEBFUPNFLT-NFOMZHRRSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CC(CC[NH2+][C@H](C)CCCC(C)C)C1 ZINC000658054515 411220758 /nfs/dbraw/zinc/22/07/58/411220758.db2.gz CWBKFEBFUPNFLT-WLYUNCDWSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658055521 411222770 /nfs/dbraw/zinc/22/27/70/411222770.db2.gz LBYXLWBZTNATIG-PPWQZUPISA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658055524 411222402 /nfs/dbraw/zinc/22/24/02/411222402.db2.gz LBYXLWBZTNATIG-URGYJCLVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658055526 411222440 /nfs/dbraw/zinc/22/24/40/411222440.db2.gz LBYXLWBZTNATIG-VXGQWTEUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658055529 411222868 /nfs/dbraw/zinc/22/28/68/411222868.db2.gz LBYXLWBZTNATIG-XSCHDIRWSA-N 1 0 241.419 3.606 20 0 BHADRO COC1CC(CC[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000658058942 411225562 /nfs/dbraw/zinc/22/55/62/411225562.db2.gz FEERDQBBTWAOBK-HSBZDZAISA-N 1 0 241.419 3.606 20 0 BHADRO COC1CC(CC[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000658058944 411225933 /nfs/dbraw/zinc/22/59/33/411225933.db2.gz FEERDQBBTWAOBK-IYXRBSQSSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658061242 411228324 /nfs/dbraw/zinc/22/83/24/411228324.db2.gz SEDMBDYNWYYXAG-DNDYEEKYSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658061243 411227896 /nfs/dbraw/zinc/22/78/96/411227896.db2.gz SEDMBDYNWYYXAG-HESLUPGFSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658061244 411228551 /nfs/dbraw/zinc/22/85/51/411228551.db2.gz SEDMBDYNWYYXAG-LMRVLLHPSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658061245 411227740 /nfs/dbraw/zinc/22/77/40/411227740.db2.gz SEDMBDYNWYYXAG-ZUJMUWTESA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658061255 411228206 /nfs/dbraw/zinc/22/82/06/411228206.db2.gz ABJFDMSTFLHUKP-KBPBESRZSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658061257 411228246 /nfs/dbraw/zinc/22/82/46/411228246.db2.gz ABJFDMSTFLHUKP-KGLIPLIRSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658061258 411227752 /nfs/dbraw/zinc/22/77/52/411227752.db2.gz ABJFDMSTFLHUKP-UONOGXRCSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658061259 411228507 /nfs/dbraw/zinc/22/85/07/411228507.db2.gz ABJFDMSTFLHUKP-ZIAGYGMSSA-N 1 0 234.387 3.744 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658061336 411228437 /nfs/dbraw/zinc/22/84/37/411228437.db2.gz IOOGELOMVBGMFH-CABCVRRESA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658061337 411227616 /nfs/dbraw/zinc/22/76/16/411227616.db2.gz IOOGELOMVBGMFH-GJZGRUSLSA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658061339 411228360 /nfs/dbraw/zinc/22/83/60/411228360.db2.gz IOOGELOMVBGMFH-HUUCEWRRSA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658061341 411227855 /nfs/dbraw/zinc/22/78/55/411227855.db2.gz IOOGELOMVBGMFH-LSDHHAIUSA-N 1 0 246.398 3.910 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)c1ccccn1 ZINC000658061668 411228370 /nfs/dbraw/zinc/22/83/70/411228370.db2.gz CCOGSDYQYRAUNB-DZGCQCFKSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)c1ccccn1 ZINC000658061669 411228389 /nfs/dbraw/zinc/22/83/89/411228389.db2.gz CCOGSDYQYRAUNB-HIFRSBDPSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)c1ccccn1 ZINC000658061670 411228487 /nfs/dbraw/zinc/22/84/87/411228487.db2.gz CCOGSDYQYRAUNB-UKRRQHHQSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)c1ccccn1 ZINC000658061671 411228141 /nfs/dbraw/zinc/22/81/41/411228141.db2.gz CCOGSDYQYRAUNB-ZFWWWQNUSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccsc1)c1ccccn1 ZINC000658062304 411228376 /nfs/dbraw/zinc/22/83/76/411228376.db2.gz NJYGDPDFWDLXQW-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccsc1 ZINC000658062306 411227934 /nfs/dbraw/zinc/22/79/34/411227934.db2.gz NJYGDPDFWDLXQW-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)c1ccccn1 ZINC000658062308 411228484 /nfs/dbraw/zinc/22/84/84/411228484.db2.gz NJYGDPDFWDLXQW-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1ccsc1)c1ccccn1 ZINC000658062310 411228403 /nfs/dbraw/zinc/22/84/03/411228403.db2.gz NJYGDPDFWDLXQW-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccs1)c1ccccn1 ZINC000658062480 411228031 /nfs/dbraw/zinc/22/80/31/411228031.db2.gz NNAMOMOGPNUPQR-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccs1 ZINC000658062481 411228340 /nfs/dbraw/zinc/22/83/40/411228340.db2.gz NNAMOMOGPNUPQR-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccs1)c1ccccn1 ZINC000658062482 411228457 /nfs/dbraw/zinc/22/84/57/411228457.db2.gz NNAMOMOGPNUPQR-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@H](C)c1cccs1)c1ccccn1 ZINC000658062483 411227692 /nfs/dbraw/zinc/22/76/92/411227692.db2.gz NNAMOMOGPNUPQR-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)c1ccccn1 ZINC000658062487 411228348 /nfs/dbraw/zinc/22/83/48/411228348.db2.gz NNLSZXIOHUKDGW-KBPBESRZSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)c1ccccn1 ZINC000658062490 411228567 /nfs/dbraw/zinc/22/85/67/411228567.db2.gz NNLSZXIOHUKDGW-KGLIPLIRSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CCCCC1 ZINC000658062492 411227686 /nfs/dbraw/zinc/22/76/86/411227686.db2.gz NNLSZXIOHUKDGW-UONOGXRCSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H](C)C1CCCCC1)c1ccccn1 ZINC000658062494 411227960 /nfs/dbraw/zinc/22/79/60/411227960.db2.gz NNLSZXIOHUKDGW-ZIAGYGMSSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@H](C)c1ccccn1 ZINC000658062631 411227680 /nfs/dbraw/zinc/22/76/80/411227680.db2.gz GMTFKTGHYPJNDP-KBPBESRZSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC1CCCC1)c1ccccn1 ZINC000658062632 411228433 /nfs/dbraw/zinc/22/84/33/411228433.db2.gz GMTFKTGHYPJNDP-KGLIPLIRSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H](C)c1ccccn1 ZINC000658062633 411227915 /nfs/dbraw/zinc/22/79/15/411227915.db2.gz GMTFKTGHYPJNDP-UONOGXRCSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658062634 411228326 /nfs/dbraw/zinc/22/83/26/411228326.db2.gz GMTFKTGHYPJNDP-ZIAGYGMSSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658062979 411229702 /nfs/dbraw/zinc/22/97/02/411229702.db2.gz UGUMQUSWHLZZMY-FEWQNLEASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1CC(OC)C1 ZINC000658062980 411229361 /nfs/dbraw/zinc/22/93/61/411229361.db2.gz UGUMQUSWHLZZMY-FGZQJIAISA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658062981 411229410 /nfs/dbraw/zinc/22/94/10/411229410.db2.gz UGUMQUSWHLZZMY-JLVJUDLZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658062982 411229677 /nfs/dbraw/zinc/22/96/77/411229677.db2.gz UGUMQUSWHLZZMY-LQULJDIASA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063106 411229732 /nfs/dbraw/zinc/22/97/32/411229732.db2.gz RVRVIQGTYBUHOJ-KBPBESRZSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063108 411229742 /nfs/dbraw/zinc/22/97/42/411229742.db2.gz RVRVIQGTYBUHOJ-KGLIPLIRSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063109 411229347 /nfs/dbraw/zinc/22/93/47/411229347.db2.gz RVRVIQGTYBUHOJ-UONOGXRCSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063111 411229704 /nfs/dbraw/zinc/22/97/04/411229704.db2.gz RVRVIQGTYBUHOJ-ZIAGYGMSSA-N 1 0 234.387 3.599 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063585 411229323 /nfs/dbraw/zinc/22/93/23/411229323.db2.gz VSXKYFSNBXZZAD-KKUMJFAQSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063588 411229079 /nfs/dbraw/zinc/22/90/79/411229079.db2.gz VSXKYFSNBXZZAD-RRFJBIMHSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063589 411229221 /nfs/dbraw/zinc/22/92/21/411229221.db2.gz VSXKYFSNBXZZAD-SOUVJXGZSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063591 411228952 /nfs/dbraw/zinc/22/89/52/411228952.db2.gz VSXKYFSNBXZZAD-ZNMIVQPWSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063650 411229357 /nfs/dbraw/zinc/22/93/57/411229357.db2.gz KRYJIYSSFAQBLK-FMKPAKJESA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063651 411229630 /nfs/dbraw/zinc/22/96/30/411229630.db2.gz KRYJIYSSFAQBLK-IIAWOOMASA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)c1ccccn1 ZINC000658063653 411229253 /nfs/dbraw/zinc/22/92/53/411229253.db2.gz KRYJIYSSFAQBLK-LZWOXQAQSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)c1ccccn1 ZINC000658063654 411228956 /nfs/dbraw/zinc/22/89/56/411228956.db2.gz KRYJIYSSFAQBLK-SQWLQELKSA-N 1 0 246.398 3.744 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064151 411229190 /nfs/dbraw/zinc/22/91/90/411229190.db2.gz YULVTRLNZPOUJJ-CYBMUJFWSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064152 411229485 /nfs/dbraw/zinc/22/94/85/411229485.db2.gz YULVTRLNZPOUJJ-ZDUSSCGKSA-N 1 0 234.387 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000658064731 411230437 /nfs/dbraw/zinc/23/04/37/411230437.db2.gz QPQKYOKTKSLUBL-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000658064732 411230483 /nfs/dbraw/zinc/23/04/83/411230483.db2.gz QPQKYOKTKSLUBL-KNCOVGOOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccccn1 ZINC000658064733 411230422 /nfs/dbraw/zinc/23/04/22/411230422.db2.gz QPQKYOKTKSLUBL-MELADBBJSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)c1ccccn1 ZINC000658064734 411230228 /nfs/dbraw/zinc/23/02/28/411230228.db2.gz QPQKYOKTKSLUBL-MGPQQGTHSA-N 1 0 246.398 3.599 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064917 411230117 /nfs/dbraw/zinc/23/01/17/411230117.db2.gz RXUFABPRTLKQCL-KKUMJFAQSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064918 411230244 /nfs/dbraw/zinc/23/02/44/411230244.db2.gz RXUFABPRTLKQCL-RRFJBIMHSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064919 411230236 /nfs/dbraw/zinc/23/02/36/411230236.db2.gz RXUFABPRTLKQCL-SOUVJXGZSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064920 411230157 /nfs/dbraw/zinc/23/01/57/411230157.db2.gz RXUFABPRTLKQCL-ZNMIVQPWSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccn1 ZINC000658065106 411230284 /nfs/dbraw/zinc/23/02/84/411230284.db2.gz UNKLHHPGPHVFOM-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccn1 ZINC000658065107 411230266 /nfs/dbraw/zinc/23/02/66/411230266.db2.gz UNKLHHPGPHVFOM-HOSILWTGSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccccn1 ZINC000658065108 411230415 /nfs/dbraw/zinc/23/04/15/411230415.db2.gz UNKLHHPGPHVFOM-KQTLUZQSSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccccn1 ZINC000658065109 411230359 /nfs/dbraw/zinc/23/03/59/411230359.db2.gz UNKLHHPGPHVFOM-NYTXWWLZSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065576 411230390 /nfs/dbraw/zinc/23/03/90/411230390.db2.gz XUZWKRMKHBXSPT-FMKPAKJESA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065577 411230315 /nfs/dbraw/zinc/23/03/15/411230315.db2.gz XUZWKRMKHBXSPT-IIAWOOMASA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065578 411230190 /nfs/dbraw/zinc/23/01/90/411230190.db2.gz XUZWKRMKHBXSPT-IJEWVQPXSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065579 411230509 /nfs/dbraw/zinc/23/05/09/411230509.db2.gz XUZWKRMKHBXSPT-YCPHGPKFSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccccn1 ZINC000658065625 411230327 /nfs/dbraw/zinc/23/03/27/411230327.db2.gz YIDRDOLTCSYHTR-DSJMHWKBSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccn1 ZINC000658065627 411230411 /nfs/dbraw/zinc/23/04/11/411230411.db2.gz YIDRDOLTCSYHTR-HGTKMLMNSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccn1 ZINC000658065629 411230430 /nfs/dbraw/zinc/23/04/30/411230430.db2.gz YIDRDOLTCSYHTR-IXYNUQLISA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccn1 ZINC000658065630 411230436 /nfs/dbraw/zinc/23/04/36/411230436.db2.gz YIDRDOLTCSYHTR-KNCOVGOOSA-N 1 0 246.398 3.599 20 0 BHADRO CCC[C@@H](CC)[NH2+]CCc1noc2ccccc12 ZINC000658065664 411230192 /nfs/dbraw/zinc/23/01/92/411230192.db2.gz SNTLQNMKPXAVNG-GFCCVEGCSA-N 1 0 246.354 3.539 20 0 BHADRO CCC[C@H](CC)[NH2+]CCc1noc2ccccc12 ZINC000658065666 411230343 /nfs/dbraw/zinc/23/03/43/411230343.db2.gz SNTLQNMKPXAVNG-LBPRGKRZSA-N 1 0 246.354 3.539 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065784 411230290 /nfs/dbraw/zinc/23/02/90/411230290.db2.gz YXPQLKUYDLFWMA-CABCVRRESA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658065785 411230446 /nfs/dbraw/zinc/23/04/46/411230446.db2.gz YXPQLKUYDLFWMA-GJZGRUSLSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065786 411230452 /nfs/dbraw/zinc/23/04/52/411230452.db2.gz YXPQLKUYDLFWMA-HUUCEWRRSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658065787 411230138 /nfs/dbraw/zinc/23/01/38/411230138.db2.gz YXPQLKUYDLFWMA-LSDHHAIUSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658066132 411230477 /nfs/dbraw/zinc/23/04/77/411230477.db2.gz INTBNRFDRIJTDB-KKUMJFAQSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658066135 411230372 /nfs/dbraw/zinc/23/03/72/411230372.db2.gz INTBNRFDRIJTDB-RRFJBIMHSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658066138 411230469 /nfs/dbraw/zinc/23/04/69/411230469.db2.gz INTBNRFDRIJTDB-SOUVJXGZSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658066139 411230115 /nfs/dbraw/zinc/23/01/15/411230115.db2.gz INTBNRFDRIJTDB-ZNMIVQPWSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000658066393 411231026 /nfs/dbraw/zinc/23/10/26/411231026.db2.gz LEPBOFWFKFPWLB-IPYPFGDCSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)c1ccccn1 ZINC000658066394 411231136 /nfs/dbraw/zinc/23/11/36/411231136.db2.gz LEPBOFWFKFPWLB-NFAWXSAZSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)c1ccccn1 ZINC000658066395 411231209 /nfs/dbraw/zinc/23/12/09/411231209.db2.gz LEPBOFWFKFPWLB-UMVBOHGHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000658066396 411231217 /nfs/dbraw/zinc/23/12/17/411231217.db2.gz LEPBOFWFKFPWLB-VNHYZAJKSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000658066481 411231097 /nfs/dbraw/zinc/23/10/97/411231097.db2.gz LYIVVPYSYOZHRO-IHRRRGAJSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000658066482 411231105 /nfs/dbraw/zinc/23/11/05/411231105.db2.gz LYIVVPYSYOZHRO-MCIONIFRSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)[C@H]1CC1(C)C ZINC000658066484 411230954 /nfs/dbraw/zinc/23/09/54/411230954.db2.gz LYIVVPYSYOZHRO-MJBXVCDLSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)[C@@H]1CC1(C)C ZINC000658066485 411230869 /nfs/dbraw/zinc/23/08/69/411230869.db2.gz LYIVVPYSYOZHRO-RDBSUJKOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000658066563 411230960 /nfs/dbraw/zinc/23/09/60/411230960.db2.gz MPDPQIDCJJRLJW-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000658066564 411231184 /nfs/dbraw/zinc/23/11/84/411231184.db2.gz MPDPQIDCJJRLJW-HLPPOEQASA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000658066566 411230927 /nfs/dbraw/zinc/23/09/27/411230927.db2.gz MPDPQIDCJJRLJW-HOSILWTGSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccn1 ZINC000658066568 411231245 /nfs/dbraw/zinc/23/12/45/411231245.db2.gz MPDPQIDCJJRLJW-ORIJERBGSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CCCC1 ZINC000658066815 411230718 /nfs/dbraw/zinc/23/07/18/411230718.db2.gz OYXPHWBVJIGWBQ-DZGCQCFKSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)C1CCCC1 ZINC000658066816 411230906 /nfs/dbraw/zinc/23/09/06/411230906.db2.gz OYXPHWBVJIGWBQ-HIFRSBDPSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C1CCCC1 ZINC000658066817 411231190 /nfs/dbraw/zinc/23/11/90/411231190.db2.gz OYXPHWBVJIGWBQ-UKRRQHHQSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)C1CCCC1 ZINC000658066818 411231075 /nfs/dbraw/zinc/23/10/75/411231075.db2.gz OYXPHWBVJIGWBQ-ZFWWWQNUSA-N 1 0 246.398 3.744 20 0 BHADRO CCCC[C@@H](C)[NH2+]CCc1noc2ccccc12 ZINC000658066826 411230921 /nfs/dbraw/zinc/23/09/21/411230921.db2.gz PBCSYRJLDIGNIN-GFCCVEGCSA-N 1 0 246.354 3.539 20 0 BHADRO CCCC[C@H](C)[NH2+]CCc1noc2ccccc12 ZINC000658066827 411230976 /nfs/dbraw/zinc/23/09/76/411230976.db2.gz PBCSYRJLDIGNIN-LBPRGKRZSA-N 1 0 246.354 3.539 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658067205 411231277 /nfs/dbraw/zinc/23/12/77/411231277.db2.gz SRZZKZJWYQWLGX-CHWSQXEVSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658067206 411230980 /nfs/dbraw/zinc/23/09/80/411230980.db2.gz SRZZKZJWYQWLGX-OLZOCXBDSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658067207 411230952 /nfs/dbraw/zinc/23/09/52/411230952.db2.gz SRZZKZJWYQWLGX-QWHCGFSZSA-N 1 0 234.387 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658067208 411231290 /nfs/dbraw/zinc/23/12/90/411231290.db2.gz SRZZKZJWYQWLGX-STQMWFEESA-N 1 0 234.387 3.599 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)c1ccccn1 ZINC000658067278 411231058 /nfs/dbraw/zinc/23/10/58/411231058.db2.gz UHIPKSLIQDDJAE-CWRNSKLLSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658067279 411231180 /nfs/dbraw/zinc/23/11/80/411231180.db2.gz UHIPKSLIQDDJAE-FVQBIDKESA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C)c1ccccn1 ZINC000658067280 411231250 /nfs/dbraw/zinc/23/12/50/411231250.db2.gz UHIPKSLIQDDJAE-NUEKZKHPSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000658067281 411231065 /nfs/dbraw/zinc/23/10/65/411231065.db2.gz UHIPKSLIQDDJAE-VNQPRFMTSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1C)c1ccccn1 ZINC000658067361 411231218 /nfs/dbraw/zinc/23/12/18/411231218.db2.gz UTJOMQGCENLQLA-KFWWJZLASA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1C)c1ccccn1 ZINC000658067363 411231080 /nfs/dbraw/zinc/23/10/80/411231080.db2.gz UTJOMQGCENLQLA-RBSFLKMASA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1C)c1ccccn1 ZINC000658067365 411231299 /nfs/dbraw/zinc/23/12/99/411231299.db2.gz UTJOMQGCENLQLA-RRFJBIMHSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1C)c1ccccn1 ZINC000658067367 411231095 /nfs/dbraw/zinc/23/10/95/411231095.db2.gz UTJOMQGCENLQLA-ZNMIVQPWSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658067375 411230990 /nfs/dbraw/zinc/23/09/90/411230990.db2.gz UYMLGVVURISEGP-KBPBESRZSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)c1ccccn1 ZINC000658067377 411231272 /nfs/dbraw/zinc/23/12/72/411231272.db2.gz UYMLGVVURISEGP-KGLIPLIRSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658067378 411231263 /nfs/dbraw/zinc/23/12/63/411231263.db2.gz UYMLGVVURISEGP-UONOGXRCSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658067380 411231145 /nfs/dbraw/zinc/23/11/45/411231145.db2.gz UYMLGVVURISEGP-ZIAGYGMSSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)c1ccccn1)C1CCC1 ZINC000658067692 411231273 /nfs/dbraw/zinc/23/12/73/411231273.db2.gz XYQXMFYYOQBHPZ-BBRMVZONSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)c1ccccn1)C1CCC1 ZINC000658067694 411231279 /nfs/dbraw/zinc/23/12/79/411231279.db2.gz XYQXMFYYOQBHPZ-CJNGLKHVSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C1CCC1 ZINC000658067695 411231293 /nfs/dbraw/zinc/23/12/93/411231293.db2.gz XYQXMFYYOQBHPZ-CZUORRHYSA-N 1 0 246.398 3.744 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CCC1 ZINC000658067697 411231072 /nfs/dbraw/zinc/23/10/72/411231072.db2.gz XYQXMFYYOQBHPZ-XJKSGUPXSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](CC)Cc1ccc(F)cc1 ZINC000658076846 411232265 /nfs/dbraw/zinc/23/22/65/411232265.db2.gz MUAMVHSKIZQMNF-BXUZGUMPSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](CC)Cc1ccc(F)cc1 ZINC000658076848 411232552 /nfs/dbraw/zinc/23/25/52/411232552.db2.gz MUAMVHSKIZQMNF-FZMZJTMJSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](CC)Cc1ccc(F)cc1 ZINC000658076850 411232428 /nfs/dbraw/zinc/23/24/28/411232428.db2.gz MUAMVHSKIZQMNF-RISCZKNCSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC ZINC000658076852 411232256 /nfs/dbraw/zinc/23/22/56/411232256.db2.gz MUAMVHSKIZQMNF-SMDDNHRTSA-N 1 0 223.335 3.535 20 0 BHADRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)C1 ZINC000658077904 411232345 /nfs/dbraw/zinc/23/23/45/411232345.db2.gz RTZIFHHIONCDHL-WPBUFGDCSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)C1 ZINC000658077906 411232469 /nfs/dbraw/zinc/23/24/69/411232469.db2.gz RTZIFHHIONCDHL-XGTXGMFGSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CCCC1 ZINC000658088916 411239665 /nfs/dbraw/zinc/23/96/65/411239665.db2.gz IAPXALAKJUJKND-GFCCVEGCSA-N 1 0 235.346 3.597 20 0 BHADRO Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CCCC1 ZINC000658088918 411239376 /nfs/dbraw/zinc/23/93/76/411239376.db2.gz IAPXALAKJUJKND-LBPRGKRZSA-N 1 0 235.346 3.597 20 0 BHADRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000658090985 411241860 /nfs/dbraw/zinc/24/18/60/411241860.db2.gz OFOCQXRHBYFZMS-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000658090988 411242006 /nfs/dbraw/zinc/24/20/06/411242006.db2.gz OFOCQXRHBYFZMS-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000658090993 411242552 /nfs/dbraw/zinc/24/25/52/411242552.db2.gz OFOCQXRHBYFZMS-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000658090996 411241831 /nfs/dbraw/zinc/24/18/31/411241831.db2.gz OFOCQXRHBYFZMS-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000658112901 411247577 /nfs/dbraw/zinc/24/75/77/411247577.db2.gz AQLSGPBVIFQDQY-GXTWGEPZSA-N 1 0 246.398 3.873 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000658112902 411247449 /nfs/dbraw/zinc/24/74/49/411247449.db2.gz AQLSGPBVIFQDQY-JSGCOSHPSA-N 1 0 246.398 3.873 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000658112903 411247550 /nfs/dbraw/zinc/24/75/50/411247550.db2.gz AQLSGPBVIFQDQY-OCCSQVGLSA-N 1 0 246.398 3.873 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000658112904 411247563 /nfs/dbraw/zinc/24/75/63/411247563.db2.gz AQLSGPBVIFQDQY-TZMCWYRMSA-N 1 0 246.398 3.873 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000658112958 411247636 /nfs/dbraw/zinc/24/76/36/411247636.db2.gz BMMUJHCCTZKLOB-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000658112959 411247125 /nfs/dbraw/zinc/24/71/25/411247125.db2.gz BMMUJHCCTZKLOB-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000658112960 411247423 /nfs/dbraw/zinc/24/74/23/411247423.db2.gz BMMUJHCCTZKLOB-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000658112962 411247470 /nfs/dbraw/zinc/24/74/70/411247470.db2.gz BMMUJHCCTZKLOB-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000658113183 411247062 /nfs/dbraw/zinc/24/70/62/411247062.db2.gz DRDXMWZUEDGUOL-GHMZBOCLSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000658113185 411247385 /nfs/dbraw/zinc/24/73/85/411247385.db2.gz DRDXMWZUEDGUOL-MNOVXSKESA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000658113186 411247493 /nfs/dbraw/zinc/24/74/93/411247493.db2.gz DRDXMWZUEDGUOL-QWRGUYRKSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000658113188 411247353 /nfs/dbraw/zinc/24/73/53/411247353.db2.gz DRDXMWZUEDGUOL-WDEREUQCSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658113396 487545147 /nfs/dbraw/zinc/54/51/47/487545147.db2.gz GMZOLDYUPRCCJO-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658113397 487544889 /nfs/dbraw/zinc/54/48/89/487544889.db2.gz GMZOLDYUPRCCJO-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658113398 487544624 /nfs/dbraw/zinc/54/46/24/487544624.db2.gz GMZOLDYUPRCCJO-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658113399 487544326 /nfs/dbraw/zinc/54/43/26/487544326.db2.gz GMZOLDYUPRCCJO-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000658113430 487544460 /nfs/dbraw/zinc/54/44/60/487544460.db2.gz HEEHLVWQCZORAL-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000658113431 487545170 /nfs/dbraw/zinc/54/51/70/487545170.db2.gz HEEHLVWQCZORAL-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000658113432 487544677 /nfs/dbraw/zinc/54/46/77/487544677.db2.gz HEEHLVWQCZORAL-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000658113433 487545198 /nfs/dbraw/zinc/54/51/98/487545198.db2.gz HEEHLVWQCZORAL-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000658113454 487545113 /nfs/dbraw/zinc/54/51/13/487545113.db2.gz HGYXXPXFTQNXIF-GHMZBOCLSA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000658113455 487544532 /nfs/dbraw/zinc/54/45/32/487544532.db2.gz HGYXXPXFTQNXIF-MNOVXSKESA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000658113457 487544552 /nfs/dbraw/zinc/54/45/52/487544552.db2.gz HGYXXPXFTQNXIF-QWRGUYRKSA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000658113459 487544749 /nfs/dbraw/zinc/54/47/49/487544749.db2.gz HGYXXPXFTQNXIF-WDEREUQCSA-N 1 0 238.350 3.696 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000658113472 487544471 /nfs/dbraw/zinc/54/44/71/487544471.db2.gz HKDPCVDRKUTLEB-NEPJUHHUSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000658113474 487544546 /nfs/dbraw/zinc/54/45/46/487544546.db2.gz HKDPCVDRKUTLEB-NWDGAFQWSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000658113475 487544663 /nfs/dbraw/zinc/54/46/63/487544663.db2.gz HKDPCVDRKUTLEB-RYUDHWBXSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000658113477 487545259 /nfs/dbraw/zinc/54/52/59/487545259.db2.gz HKDPCVDRKUTLEB-VXGBXAGGSA-N 1 0 243.460 3.932 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000658113485 487544570 /nfs/dbraw/zinc/54/45/70/487544570.db2.gz HNEUBWAPXXYSLP-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000658113487 487544396 /nfs/dbraw/zinc/54/43/96/487544396.db2.gz HNEUBWAPXXYSLP-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000658113488 487545043 /nfs/dbraw/zinc/54/50/43/487545043.db2.gz HNEUBWAPXXYSLP-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000658113489 487544799 /nfs/dbraw/zinc/54/47/99/487544799.db2.gz HNEUBWAPXXYSLP-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000658113723 487544874 /nfs/dbraw/zinc/54/48/74/487544874.db2.gz IXUPUUDXVWFMJB-CHWSQXEVSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000658113726 487546363 /nfs/dbraw/zinc/54/63/63/487546363.db2.gz IXUPUUDXVWFMJB-OLZOCXBDSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000658113727 487546162 /nfs/dbraw/zinc/54/61/62/487546162.db2.gz IXUPUUDXVWFMJB-QWHCGFSZSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000658113729 487546131 /nfs/dbraw/zinc/54/61/31/487546131.db2.gz IXUPUUDXVWFMJB-STQMWFEESA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)c1ccncc1 ZINC000658113739 487546365 /nfs/dbraw/zinc/54/63/65/487546365.db2.gz IZNHMGPUCBBCDN-GXTWGEPZSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)c1ccncc1 ZINC000658113741 487545973 /nfs/dbraw/zinc/54/59/73/487545973.db2.gz IZNHMGPUCBBCDN-JSGCOSHPSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)CC)c1ccncc1 ZINC000658113743 487546136 /nfs/dbraw/zinc/54/61/36/487546136.db2.gz IZNHMGPUCBBCDN-OCCSQVGLSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)c1ccncc1 ZINC000658113745 487546414 /nfs/dbraw/zinc/54/64/14/487546414.db2.gz IZNHMGPUCBBCDN-TZMCWYRMSA-N 1 0 234.387 3.947 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000658113854 487546443 /nfs/dbraw/zinc/54/64/43/487546443.db2.gz JDYPIXYIBRCORJ-CHWSQXEVSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000658113855 487546295 /nfs/dbraw/zinc/54/62/95/487546295.db2.gz JDYPIXYIBRCORJ-OLZOCXBDSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000658113857 487545825 /nfs/dbraw/zinc/54/58/25/487545825.db2.gz JDYPIXYIBRCORJ-QWHCGFSZSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000658113859 487546181 /nfs/dbraw/zinc/54/61/81/487546181.db2.gz JDYPIXYIBRCORJ-STQMWFEESA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000658113868 487546322 /nfs/dbraw/zinc/54/63/22/487546322.db2.gz JFXVQEHHVCRKNY-CMPLNLGQSA-N 1 0 249.402 3.569 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000658113871 487546168 /nfs/dbraw/zinc/54/61/68/487546168.db2.gz JFXVQEHHVCRKNY-JQWIXIFHSA-N 1 0 249.402 3.569 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000658113872 487545779 /nfs/dbraw/zinc/54/57/79/487545779.db2.gz JFXVQEHHVCRKNY-PWSUYJOCSA-N 1 0 249.402 3.569 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000658113874 487545941 /nfs/dbraw/zinc/54/59/41/487545941.db2.gz JFXVQEHHVCRKNY-ZYHUDNBSSA-N 1 0 249.402 3.569 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000658113890 487546577 /nfs/dbraw/zinc/54/65/77/487546577.db2.gz JHOLJIRVKQLPNC-NEPJUHHUSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000658113892 487546320 /nfs/dbraw/zinc/54/63/20/487546320.db2.gz JHOLJIRVKQLPNC-NWDGAFQWSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000658113893 487545831 /nfs/dbraw/zinc/54/58/31/487545831.db2.gz JHOLJIRVKQLPNC-RYUDHWBXSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000658113895 487545856 /nfs/dbraw/zinc/54/58/56/487545856.db2.gz JHOLJIRVKQLPNC-VXGBXAGGSA-N 1 0 229.433 3.686 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)CC1CCOCC1 ZINC000658113972 487546150 /nfs/dbraw/zinc/54/61/50/487546150.db2.gz JXZDAGPMHUATGI-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)CC1CCOCC1 ZINC000658113973 487546066 /nfs/dbraw/zinc/54/60/66/487546066.db2.gz JXZDAGPMHUATGI-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000658113974 487545790 /nfs/dbraw/zinc/54/57/90/487545790.db2.gz JXZDAGPMHUATGI-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000658113976 487546213 /nfs/dbraw/zinc/54/62/13/487546213.db2.gz JXZDAGPMHUATGI-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000658113985 487546144 /nfs/dbraw/zinc/54/61/44/487546144.db2.gz KCTTXFSAXKHHPL-NEPJUHHUSA-N 1 0 235.371 3.868 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000658113988 487546221 /nfs/dbraw/zinc/54/62/21/487546221.db2.gz KCTTXFSAXKHHPL-NWDGAFQWSA-N 1 0 235.371 3.868 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000658113989 487546455 /nfs/dbraw/zinc/54/64/55/487546455.db2.gz KCTTXFSAXKHHPL-RYUDHWBXSA-N 1 0 235.371 3.868 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000658113991 487546004 /nfs/dbraw/zinc/54/60/04/487546004.db2.gz KCTTXFSAXKHHPL-VXGBXAGGSA-N 1 0 235.371 3.868 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000658114151 487546377 /nfs/dbraw/zinc/54/63/77/487546377.db2.gz LVFIBFPKHYAHSN-GHMZBOCLSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000658114152 487546023 /nfs/dbraw/zinc/54/60/23/487546023.db2.gz LVFIBFPKHYAHSN-MNOVXSKESA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000658114153 487546369 /nfs/dbraw/zinc/54/63/69/487546369.db2.gz LVFIBFPKHYAHSN-QWRGUYRKSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000658114154 487546449 /nfs/dbraw/zinc/54/64/49/487546449.db2.gz LVFIBFPKHYAHSN-WDEREUQCSA-N 1 0 209.333 3.755 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000658114445 411247216 /nfs/dbraw/zinc/24/72/16/411247216.db2.gz OARRCBNLNRLWFQ-NXEZZACHSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000658114446 411247431 /nfs/dbraw/zinc/24/74/31/411247431.db2.gz OARRCBNLNRLWFQ-UWVGGRQHSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000658114447 411247118 /nfs/dbraw/zinc/24/71/18/411247118.db2.gz OARRCBNLNRLWFQ-VHSXEESVSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000658114448 411247557 /nfs/dbraw/zinc/24/75/57/411247557.db2.gz OARRCBNLNRLWFQ-ZJUUUORDSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000658114469 491106840 /nfs/dbraw/zinc/10/68/40/491106840.db2.gz OTVNIBZHRGOOFB-NEPJUHHUSA-N 1 0 223.360 3.625 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000658114470 491106867 /nfs/dbraw/zinc/10/68/67/491106867.db2.gz OTVNIBZHRGOOFB-NWDGAFQWSA-N 1 0 223.360 3.625 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000658114471 491106862 /nfs/dbraw/zinc/10/68/62/491106862.db2.gz OTVNIBZHRGOOFB-RYUDHWBXSA-N 1 0 223.360 3.625 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000658114472 491106861 /nfs/dbraw/zinc/10/68/61/491106861.db2.gz OTVNIBZHRGOOFB-VXGBXAGGSA-N 1 0 223.360 3.625 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000658114508 490304015 /nfs/dbraw/zinc/30/40/15/490304015.db2.gz PQNBKQRVXXAPMF-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000658114509 490303794 /nfs/dbraw/zinc/30/37/94/490303794.db2.gz PQNBKQRVXXAPMF-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000658114510 490303867 /nfs/dbraw/zinc/30/38/67/490303867.db2.gz PQNBKQRVXXAPMF-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000658114511 490303735 /nfs/dbraw/zinc/30/37/35/490303735.db2.gz PQNBKQRVXXAPMF-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1CCOCC1 ZINC000658114733 487547931 /nfs/dbraw/zinc/54/79/31/487547931.db2.gz QNSHBSOCTMLBRL-GXTWGEPZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1CCOCC1 ZINC000658114734 487547853 /nfs/dbraw/zinc/54/78/53/487547853.db2.gz QNSHBSOCTMLBRL-JSGCOSHPSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1CCOCC1 ZINC000658114736 487547685 /nfs/dbraw/zinc/54/76/85/487547685.db2.gz QNSHBSOCTMLBRL-OCCSQVGLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1CCOCC1 ZINC000658114738 487548036 /nfs/dbraw/zinc/54/80/36/487548036.db2.gz QNSHBSOCTMLBRL-TZMCWYRMSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000658115275 487547830 /nfs/dbraw/zinc/54/78/30/487547830.db2.gz UJHIQLTUHBUDJT-NEPJUHHUSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000658115276 487547825 /nfs/dbraw/zinc/54/78/25/487547825.db2.gz UJHIQLTUHBUDJT-NWDGAFQWSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000658115277 487547687 /nfs/dbraw/zinc/54/76/87/487547687.db2.gz UJHIQLTUHBUDJT-RYUDHWBXSA-N 1 0 209.377 3.733 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000658115278 487547747 /nfs/dbraw/zinc/54/77/47/487547747.db2.gz UJHIQLTUHBUDJT-VXGBXAGGSA-N 1 0 209.377 3.733 20 0 BHADRO CCOC1CCC([NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000658115329 487547669 /nfs/dbraw/zinc/54/76/69/487547669.db2.gz USSNFEPJRVHNBL-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO CCOC1CCC([NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000658115331 487547782 /nfs/dbraw/zinc/54/77/82/487547782.db2.gz USSNFEPJRVHNBL-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000658115332 487547876 /nfs/dbraw/zinc/54/78/76/487547876.db2.gz UTLGAAJNSGZZEI-CHWSQXEVSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000658115335 487547663 /nfs/dbraw/zinc/54/76/63/487547663.db2.gz UTLGAAJNSGZZEI-OLZOCXBDSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000658115337 487548158 /nfs/dbraw/zinc/54/81/58/487548158.db2.gz UTLGAAJNSGZZEI-QWHCGFSZSA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000658115339 487547749 /nfs/dbraw/zinc/54/77/49/487547749.db2.gz UTLGAAJNSGZZEI-STQMWFEESA-N 1 0 234.387 3.865 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000658115445 411249277 /nfs/dbraw/zinc/24/92/77/411249277.db2.gz VTDOHJXYLWMZCC-NXEZZACHSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000658115447 411249287 /nfs/dbraw/zinc/24/92/87/411249287.db2.gz VTDOHJXYLWMZCC-UWVGGRQHSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000658115449 411249110 /nfs/dbraw/zinc/24/91/10/411249110.db2.gz VTDOHJXYLWMZCC-VHSXEESVSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000658115451 411249394 /nfs/dbraw/zinc/24/93/94/411249394.db2.gz VTDOHJXYLWMZCC-ZJUUUORDSA-N 1 0 240.416 3.927 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000658115816 411248982 /nfs/dbraw/zinc/24/89/82/411248982.db2.gz WNYINZAGLBPGAZ-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000658115818 411249119 /nfs/dbraw/zinc/24/91/19/411249119.db2.gz WNYINZAGLBPGAZ-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000658115819 411249073 /nfs/dbraw/zinc/24/90/73/411249073.db2.gz WNYINZAGLBPGAZ-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000658115821 411249308 /nfs/dbraw/zinc/24/93/08/411249308.db2.gz WNYINZAGLBPGAZ-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000658115954 411249106 /nfs/dbraw/zinc/24/91/06/411249106.db2.gz XYWKSHPWAQFVTO-NEPJUHHUSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000658115972 411249175 /nfs/dbraw/zinc/24/91/75/411249175.db2.gz XYWKSHPWAQFVTO-NWDGAFQWSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000658115973 411248927 /nfs/dbraw/zinc/24/89/27/411248927.db2.gz XYWKSHPWAQFVTO-RYUDHWBXSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000658115974 411249047 /nfs/dbraw/zinc/24/90/47/411249047.db2.gz XYWKSHPWAQFVTO-VXGBXAGGSA-N 1 0 220.360 3.557 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000658116173 411248940 /nfs/dbraw/zinc/24/89/40/411248940.db2.gz ZLJMCIDUVRWUER-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000658116176 411249382 /nfs/dbraw/zinc/24/93/82/411249382.db2.gz ZLJMCIDUVRWUER-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000658116179 411249044 /nfs/dbraw/zinc/24/90/44/411249044.db2.gz ZLJMCIDUVRWUER-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000658116182 411249205 /nfs/dbraw/zinc/24/92/05/411249205.db2.gz ZLJMCIDUVRWUER-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CCCC34CC4)ccc2o1 ZINC000658116373 411248974 /nfs/dbraw/zinc/24/89/74/411248974.db2.gz KJADPIVNAKQPCV-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CCCC34CC4)ccc2o1 ZINC000658116374 411248882 /nfs/dbraw/zinc/24/88/82/411248882.db2.gz KJADPIVNAKQPCV-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CCC34CCC4)ccc2o1 ZINC000658117675 411250219 /nfs/dbraw/zinc/25/02/19/411250219.db2.gz YQTNFVJRCACTGQ-HNNXBMFYSA-N 1 0 241.334 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CCC34CCC4)ccc2o1 ZINC000658117677 411250202 /nfs/dbraw/zinc/25/02/02/411250202.db2.gz YQTNFVJRCACTGQ-OAHLLOKOSA-N 1 0 241.334 3.855 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC[C@H](C)CC ZINC000658119730 411250243 /nfs/dbraw/zinc/25/02/43/411250243.db2.gz GRDNRIQCVFZMSH-CHWSQXEVSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC[C@H](C)CC ZINC000658119731 411250547 /nfs/dbraw/zinc/25/05/47/411250547.db2.gz GRDNRIQCVFZMSH-OLZOCXBDSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H](C)CC ZINC000658119732 411250274 /nfs/dbraw/zinc/25/02/74/411250274.db2.gz GRDNRIQCVFZMSH-QWHCGFSZSA-N 1 0 234.387 3.731 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CC[C@@H](C)CC ZINC000658119733 411250414 /nfs/dbraw/zinc/25/04/14/411250414.db2.gz GRDNRIQCVFZMSH-STQMWFEESA-N 1 0 234.387 3.731 20 0 BHADRO CC[C@H](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000658120109 411250241 /nfs/dbraw/zinc/25/02/41/411250241.db2.gz IUWJLKJAJWNEAC-UNXYVOJBSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000658120111 411250232 /nfs/dbraw/zinc/25/02/32/411250232.db2.gz IUWJLKJAJWNEAC-VOMCLLRMSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)CCC(F)(F)F ZINC000658120117 411250267 /nfs/dbraw/zinc/25/02/67/411250267.db2.gz IWNAJTNKWRNDOZ-NXEZZACHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000658120119 411250355 /nfs/dbraw/zinc/25/03/55/411250355.db2.gz IWNAJTNKWRNDOZ-UWVGGRQHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)CCC(F)(F)F ZINC000658120121 411250378 /nfs/dbraw/zinc/25/03/78/411250378.db2.gz IWNAJTNKWRNDOZ-VHSXEESVSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000658120122 411250059 /nfs/dbraw/zinc/25/00/59/411250059.db2.gz IWNAJTNKWRNDOZ-ZJUUUORDSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC000658120207 411250359 /nfs/dbraw/zinc/25/03/59/411250359.db2.gz KEBBCETVBSCLMP-NXEZZACHSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000658120208 411250423 /nfs/dbraw/zinc/25/04/23/411250423.db2.gz KEBBCETVBSCLMP-UWVGGRQHSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC000658120209 411250299 /nfs/dbraw/zinc/25/02/99/411250299.db2.gz KEBBCETVBSCLMP-VHSXEESVSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000658120210 411250440 /nfs/dbraw/zinc/25/04/40/411250440.db2.gz KEBBCETVBSCLMP-ZJUUUORDSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000658120430 411250488 /nfs/dbraw/zinc/25/04/88/411250488.db2.gz HJZBXVMXQIKKEK-CHWSQXEVSA-N 1 0 247.382 3.804 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000658120431 411250177 /nfs/dbraw/zinc/25/01/77/411250177.db2.gz HJZBXVMXQIKKEK-OLZOCXBDSA-N 1 0 247.382 3.804 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000658120432 411249974 /nfs/dbraw/zinc/24/99/74/411249974.db2.gz HJZBXVMXQIKKEK-QWHCGFSZSA-N 1 0 247.382 3.804 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000658120433 411250515 /nfs/dbraw/zinc/25/05/15/411250515.db2.gz HJZBXVMXQIKKEK-STQMWFEESA-N 1 0 247.382 3.804 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1csc(C)n1 ZINC000658120591 411250393 /nfs/dbraw/zinc/25/03/93/411250393.db2.gz LUBXEHMHMQTFKC-NXEZZACHSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000658120592 411250558 /nfs/dbraw/zinc/25/05/58/411250558.db2.gz LUBXEHMHMQTFKC-UWVGGRQHSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1csc(C)n1 ZINC000658120593 411250425 /nfs/dbraw/zinc/25/04/25/411250425.db2.gz LUBXEHMHMQTFKC-VHSXEESVSA-N 1 0 226.389 3.538 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000658120594 411250173 /nfs/dbraw/zinc/25/01/73/411250173.db2.gz LUBXEHMHMQTFKC-ZJUUUORDSA-N 1 0 226.389 3.538 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)CC)c1cccnc1 ZINC000658120884 411250217 /nfs/dbraw/zinc/25/02/17/411250217.db2.gz MKIGGQXSTVFGKP-DZGCQCFKSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)CC)c1cccnc1 ZINC000658120886 411250122 /nfs/dbraw/zinc/25/01/22/411250122.db2.gz MKIGGQXSTVFGKP-HIFRSBDPSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)CC)c1cccnc1 ZINC000658120888 411250511 /nfs/dbraw/zinc/25/05/11/411250511.db2.gz MKIGGQXSTVFGKP-UKRRQHHQSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)CC)c1cccnc1 ZINC000658120889 411250000 /nfs/dbraw/zinc/25/00/00/411250000.db2.gz MKIGGQXSTVFGKP-ZFWWWQNUSA-N 1 0 234.387 3.949 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658121389 411251040 /nfs/dbraw/zinc/25/10/40/411251040.db2.gz PRNMUANQNCIALC-BBRMVZONSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658121390 411251114 /nfs/dbraw/zinc/25/11/14/411251114.db2.gz PRNMUANQNCIALC-CJNGLKHVSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658121391 411251307 /nfs/dbraw/zinc/25/13/07/411251307.db2.gz PRNMUANQNCIALC-CZUORRHYSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000658121709 411251213 /nfs/dbraw/zinc/25/12/13/411251213.db2.gz QAMPMPMVYHUYEM-CHWSQXEVSA-N 1 0 237.391 3.551 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000658121715 411251357 /nfs/dbraw/zinc/25/13/57/411251357.db2.gz QAMPMPMVYHUYEM-OLZOCXBDSA-N 1 0 237.391 3.551 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000658121716 411251704 /nfs/dbraw/zinc/25/17/04/411251704.db2.gz QAMPMPMVYHUYEM-QWHCGFSZSA-N 1 0 237.391 3.551 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000658121718 411250957 /nfs/dbraw/zinc/25/09/57/411250957.db2.gz QAMPMPMVYHUYEM-STQMWFEESA-N 1 0 237.391 3.551 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658121787 411251697 /nfs/dbraw/zinc/25/16/97/411251697.db2.gz PRNMUANQNCIALC-XJKSGUPXSA-N 1 0 246.398 3.949 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000658121808 411251576 /nfs/dbraw/zinc/25/15/76/411251576.db2.gz QDFQTPWHSDOCNF-DZGCQCFKSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000658121809 411251258 /nfs/dbraw/zinc/25/12/58/411251258.db2.gz QDFQTPWHSDOCNF-HIFRSBDPSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000658121810 411251774 /nfs/dbraw/zinc/25/17/74/411251774.db2.gz QDFQTPWHSDOCNF-UKRRQHHQSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000658121811 411251740 /nfs/dbraw/zinc/25/17/40/411251740.db2.gz QDFQTPWHSDOCNF-ZFWWWQNUSA-N 1 0 234.387 3.805 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@H](C)CC)c1ccccn1 ZINC000658122535 411251121 /nfs/dbraw/zinc/25/11/21/411251121.db2.gz UYFBEESEHWWGGV-KBPBESRZSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@H]([NH2+]CC[C@H](C)CC)c1ccccn1 ZINC000658122537 411250970 /nfs/dbraw/zinc/25/09/70/411250970.db2.gz UYFBEESEHWWGGV-KGLIPLIRSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@H](C)CC)c1ccccn1 ZINC000658122538 411251315 /nfs/dbraw/zinc/25/13/15/411251315.db2.gz UYFBEESEHWWGGV-UONOGXRCSA-N 1 0 234.387 3.949 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@H](C)CC)c1ccccn1 ZINC000658122540 411251198 /nfs/dbraw/zinc/25/11/98/411251198.db2.gz UYFBEESEHWWGGV-ZIAGYGMSSA-N 1 0 234.387 3.949 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000658122556 411251149 /nfs/dbraw/zinc/25/11/49/411251149.db2.gz VDKLCVNQMGRZAB-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000658122557 411251660 /nfs/dbraw/zinc/25/16/60/411251660.db2.gz VDKLCVNQMGRZAB-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000658122559 411251327 /nfs/dbraw/zinc/25/13/27/411251327.db2.gz VDKLCVNQMGRZAB-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000658122561 411251395 /nfs/dbraw/zinc/25/13/95/411251395.db2.gz VDKLCVNQMGRZAB-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000658123268 411252641 /nfs/dbraw/zinc/25/26/41/411252641.db2.gz XEZDACWBTRSSSL-NXEZZACHSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000658123269 411252336 /nfs/dbraw/zinc/25/23/36/411252336.db2.gz XEZDACWBTRSSSL-UWVGGRQHSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000658123270 411252208 /nfs/dbraw/zinc/25/22/08/411252208.db2.gz XEZDACWBTRSSSL-VHSXEESVSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000658123271 411252384 /nfs/dbraw/zinc/25/23/84/411252384.db2.gz XEZDACWBTRSSSL-ZJUUUORDSA-N 1 0 240.416 3.847 20 0 BHADRO CC[C@H](C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000658123324 411252302 /nfs/dbraw/zinc/25/23/02/411252302.db2.gz YNKHTSCKHOSTDC-NFOMZHRRSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000658123325 411252205 /nfs/dbraw/zinc/25/22/05/411252205.db2.gz YNKHTSCKHOSTDC-WLYUNCDWSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000658123330 411252364 /nfs/dbraw/zinc/25/23/64/411252364.db2.gz YPDPEQTWVSJBDE-AAEUAGOBSA-N 1 0 234.387 3.785 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000658123331 411252264 /nfs/dbraw/zinc/25/22/64/411252264.db2.gz YPDPEQTWVSJBDE-DGCLKSJQSA-N 1 0 234.387 3.785 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000658123332 411252330 /nfs/dbraw/zinc/25/23/30/411252330.db2.gz YPDPEQTWVSJBDE-WCQYABFASA-N 1 0 234.387 3.785 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000658123333 411252169 /nfs/dbraw/zinc/25/21/69/411252169.db2.gz YPDPEQTWVSJBDE-YPMHNXCESA-N 1 0 234.387 3.785 20 0 BHADRO Cc1ccncc1CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000658123742 411251406 /nfs/dbraw/zinc/25/14/06/411251406.db2.gz NCJNFWYHMYMQPR-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccncc1CC[NH2+][C@H](C)CCC(C)(C)C ZINC000658123744 411251726 /nfs/dbraw/zinc/25/17/26/411251726.db2.gz NCJNFWYHMYMQPR-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658124056 411252122 /nfs/dbraw/zinc/25/21/22/411252122.db2.gz PGZJQMNJXNAVSX-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1cnccc1C ZINC000658124058 411252248 /nfs/dbraw/zinc/25/22/48/411252248.db2.gz PGZJQMNJXNAVSX-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658124059 411252150 /nfs/dbraw/zinc/25/21/50/411252150.db2.gz PGZJQMNJXNAVSX-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1cnccc1C ZINC000658124061 411252469 /nfs/dbraw/zinc/25/24/69/411252469.db2.gz PGZJQMNJXNAVSX-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H](C)CC)c1ccncc1 ZINC000658124183 411252686 /nfs/dbraw/zinc/25/26/86/411252686.db2.gz OAMMIYZOSROFJX-GXTWGEPZSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](CC)c1ccncc1 ZINC000658124187 411252300 /nfs/dbraw/zinc/25/23/00/411252300.db2.gz OAMMIYZOSROFJX-JSGCOSHPSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](CC)c1ccncc1 ZINC000658124188 411252221 /nfs/dbraw/zinc/25/22/21/411252221.db2.gz OAMMIYZOSROFJX-OCCSQVGLSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](CC)c1ccncc1 ZINC000658124190 411252447 /nfs/dbraw/zinc/25/24/47/411252447.db2.gz OAMMIYZOSROFJX-TZMCWYRMSA-N 1 0 220.360 3.559 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1cnccc1C ZINC000658124194 411252492 /nfs/dbraw/zinc/25/24/92/411252492.db2.gz DXNSQHKVWKJXEW-BBRMVZONSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1cnccc1C ZINC000658124196 411252698 /nfs/dbraw/zinc/25/26/98/411252698.db2.gz DXNSQHKVWKJXEW-CJNGLKHVSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1cnccc1C ZINC000658124197 411252449 /nfs/dbraw/zinc/25/24/49/411252449.db2.gz DXNSQHKVWKJXEW-CZUORRHYSA-N 1 0 248.414 3.737 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1cnccc1C ZINC000658124198 411252413 /nfs/dbraw/zinc/25/24/13/411252413.db2.gz DXNSQHKVWKJXEW-XJKSGUPXSA-N 1 0 248.414 3.737 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1cnccc1C ZINC000658124601 411252656 /nfs/dbraw/zinc/25/26/56/411252656.db2.gz HAGWZLUMVRROLN-HNNXBMFYSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658124602 411252110 /nfs/dbraw/zinc/25/21/10/411252110.db2.gz HAGWZLUMVRROLN-OAHLLOKOSA-N 1 0 246.398 3.657 20 0 BHADRO Cc1ccncc1CC[NH2+][C@@H](C)CCCC(C)C ZINC000658126194 411253606 /nfs/dbraw/zinc/25/36/06/411253606.db2.gz KVORGAOKRPGWCW-HNNXBMFYSA-N 1 0 248.414 3.737 20 0 BHADRO Cc1ccncc1CC[NH2+][C@H](C)CCCC(C)C ZINC000658126195 411253716 /nfs/dbraw/zinc/25/37/16/411253716.db2.gz KVORGAOKRPGWCW-OAHLLOKOSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(CC)[NH2+]CCc1ccnc2ccccc12 ZINC000658126289 411253272 /nfs/dbraw/zinc/25/32/72/411253272.db2.gz FKQMFFRXUNKMAM-UHFFFAOYSA-N 1 0 242.366 3.556 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658126357 411253373 /nfs/dbraw/zinc/25/33/73/411253373.db2.gz XKHOKQVVDBXHQJ-NXEZZACHSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658126358 411253687 /nfs/dbraw/zinc/25/36/87/411253687.db2.gz XKHOKQVVDBXHQJ-UWVGGRQHSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658126359 411253417 /nfs/dbraw/zinc/25/34/17/411253417.db2.gz XKHOKQVVDBXHQJ-VHSXEESVSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658126360 411253542 /nfs/dbraw/zinc/25/35/42/411253542.db2.gz XKHOKQVVDBXHQJ-ZJUUUORDSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658126406 411253744 /nfs/dbraw/zinc/25/37/44/411253744.db2.gz YEVPSWKCXJCKLH-NEPJUHHUSA-N 1 0 246.354 3.915 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658126407 411253652 /nfs/dbraw/zinc/25/36/52/411253652.db2.gz YEVPSWKCXJCKLH-NWDGAFQWSA-N 1 0 246.354 3.915 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658126409 411253529 /nfs/dbraw/zinc/25/35/29/411253529.db2.gz YEVPSWKCXJCKLH-RYUDHWBXSA-N 1 0 246.354 3.915 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658126410 411253515 /nfs/dbraw/zinc/25/35/15/411253515.db2.gz YEVPSWKCXJCKLH-VXGBXAGGSA-N 1 0 246.354 3.915 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000658126504 411253713 /nfs/dbraw/zinc/25/37/13/411253713.db2.gz YVECQBABGKZSLJ-CABCVRRESA-N 1 0 248.414 3.819 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000658126506 411253720 /nfs/dbraw/zinc/25/37/20/411253720.db2.gz YVECQBABGKZSLJ-GJZGRUSLSA-N 1 0 248.414 3.819 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000658126508 411253479 /nfs/dbraw/zinc/25/34/79/411253479.db2.gz YVECQBABGKZSLJ-HUUCEWRRSA-N 1 0 248.414 3.819 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000658126510 411253666 /nfs/dbraw/zinc/25/36/66/411253666.db2.gz YVECQBABGKZSLJ-LSDHHAIUSA-N 1 0 248.414 3.819 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccncc1Cl ZINC000658126789 411254198 /nfs/dbraw/zinc/25/41/98/411254198.db2.gz ZQUMFFZCEAJBGZ-GHMZBOCLSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccncc1Cl ZINC000658126790 411254365 /nfs/dbraw/zinc/25/43/65/411254365.db2.gz ZQUMFFZCEAJBGZ-MNOVXSKESA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccncc1Cl ZINC000658126791 411254150 /nfs/dbraw/zinc/25/41/50/411254150.db2.gz ZQUMFFZCEAJBGZ-QWRGUYRKSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccncc1Cl ZINC000658126792 411254292 /nfs/dbraw/zinc/25/42/92/411254292.db2.gz ZQUMFFZCEAJBGZ-WDEREUQCSA-N 1 0 240.778 3.822 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1cnccc1C ZINC000658127462 411254224 /nfs/dbraw/zinc/25/42/24/411254224.db2.gz UTFVJRAMCBKPTJ-GDBMZVCRSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCc1cnccc1C ZINC000658127463 411254420 /nfs/dbraw/zinc/25/44/20/411254420.db2.gz UTFVJRAMCBKPTJ-GOEBONIOSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCc1cnccc1C ZINC000658127464 411254319 /nfs/dbraw/zinc/25/43/19/411254319.db2.gz UTFVJRAMCBKPTJ-HOCLYGCPSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCc1cnccc1C ZINC000658127465 411254317 /nfs/dbraw/zinc/25/43/17/411254317.db2.gz UTFVJRAMCBKPTJ-ZBFHGGJFSA-N 1 0 248.414 3.737 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000658127572 411254264 /nfs/dbraw/zinc/25/42/64/411254264.db2.gz NHEDMNJBONCBHW-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000658127576 411254322 /nfs/dbraw/zinc/25/43/22/411254322.db2.gz NHEDMNJBONCBHW-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccoc1 ZINC000658165961 411277229 /nfs/dbraw/zinc/27/72/29/411277229.db2.gz MNJVXHDBSLQGET-HWWQOWPSSA-N 1 0 241.334 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccoc1 ZINC000658165964 411277059 /nfs/dbraw/zinc/27/70/59/411277059.db2.gz MNJVXHDBSLQGET-MQIPJXDCSA-N 1 0 241.334 3.659 20 0 BHADRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccco1 ZINC000658166029 411276686 /nfs/dbraw/zinc/27/66/86/411276686.db2.gz NCGXMGKJPNLMMU-SLEUVZQESA-N 1 0 241.334 3.659 20 0 BHADRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccco1 ZINC000658166030 411277417 /nfs/dbraw/zinc/27/74/17/411277417.db2.gz NCGXMGKJPNLMMU-YWPYICTPSA-N 1 0 241.334 3.659 20 0 BHADRO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000658167784 411278560 /nfs/dbraw/zinc/27/85/60/411278560.db2.gz VTSAEYWVFZYXGA-APHBMKBZSA-N 1 0 241.378 3.637 20 0 BHADRO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000658167785 411278115 /nfs/dbraw/zinc/27/81/15/411278115.db2.gz VTSAEYWVFZYXGA-MAZHCROVSA-N 1 0 241.378 3.637 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2cncs2)c1 ZINC000658177272 411283133 /nfs/dbraw/zinc/28/31/33/411283133.db2.gz SRPRMOQSCQROOL-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000658177280 411282552 /nfs/dbraw/zinc/28/25/52/411282552.db2.gz SRPRMOQSCQROOL-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000658177434 411282648 /nfs/dbraw/zinc/28/26/48/411282648.db2.gz VZRNEPNBLGMQDG-HNNXBMFYSA-N 1 0 249.423 3.679 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000658177436 411283126 /nfs/dbraw/zinc/28/31/26/411283126.db2.gz VZRNEPNBLGMQDG-OAHLLOKOSA-N 1 0 249.423 3.679 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000658185666 411284301 /nfs/dbraw/zinc/28/43/01/411284301.db2.gz NWBYOAUMSLDMCP-CYBMUJFWSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000658185668 411284406 /nfs/dbraw/zinc/28/44/06/411284406.db2.gz NWBYOAUMSLDMCP-ZDUSSCGKSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000658187172 411284243 /nfs/dbraw/zinc/28/42/43/411284243.db2.gz JTHLVTQLJLUHEV-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@H]1CCCC12CCC2 ZINC000658187174 411284395 /nfs/dbraw/zinc/28/43/95/411284395.db2.gz JTHLVTQLJLUHEV-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000658188128 411284161 /nfs/dbraw/zinc/28/41/61/411284161.db2.gz OVTUPHMXHKAKFV-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000658188131 411284656 /nfs/dbraw/zinc/28/46/56/411284656.db2.gz OVTUPHMXHKAKFV-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000658188134 411284281 /nfs/dbraw/zinc/28/42/81/411284281.db2.gz OVTUPHMXHKAKFV-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000658188139 411284571 /nfs/dbraw/zinc/28/45/71/411284571.db2.gz OVTUPHMXHKAKFV-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000658189240 411284956 /nfs/dbraw/zinc/28/49/56/411284956.db2.gz YJNUSQRLKRUPBU-GFCCVEGCSA-N 1 0 229.408 3.606 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000658189242 411285112 /nfs/dbraw/zinc/28/51/12/411285112.db2.gz YJNUSQRLKRUPBU-LBPRGKRZSA-N 1 0 229.408 3.606 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658190513 411285148 /nfs/dbraw/zinc/28/51/48/411285148.db2.gz AOBVZVZSERCIBO-GRYCIOLGSA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658190514 411285123 /nfs/dbraw/zinc/28/51/23/411285123.db2.gz AOBVZVZSERCIBO-WOPDTQHZSA-N 1 0 227.367 3.539 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CC1(C)C ZINC000658190518 411285075 /nfs/dbraw/zinc/28/50/75/411285075.db2.gz BAIJVGYZEPXRJF-GHMZBOCLSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)[C@H]1CC1(C)C ZINC000658190519 411285252 /nfs/dbraw/zinc/28/52/52/411285252.db2.gz BAIJVGYZEPXRJF-MNOVXSKESA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CC1(C)C ZINC000658190520 411285090 /nfs/dbraw/zinc/28/50/90/411285090.db2.gz BAIJVGYZEPXRJF-QWRGUYRKSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CC1(C)C ZINC000658190521 411285065 /nfs/dbraw/zinc/28/50/65/411285065.db2.gz BAIJVGYZEPXRJF-WDEREUQCSA-N 1 0 215.356 3.539 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658190545 411286051 /nfs/dbraw/zinc/28/60/51/411286051.db2.gz DCYQVEFDNYXQQJ-AAEUAGOBSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658190547 411285927 /nfs/dbraw/zinc/28/59/27/411285927.db2.gz DCYQVEFDNYXQQJ-DGCLKSJQSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658190549 411285663 /nfs/dbraw/zinc/28/56/63/411285663.db2.gz DCYQVEFDNYXQQJ-WCQYABFASA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658190550 411285673 /nfs/dbraw/zinc/28/56/73/411285673.db2.gz DCYQVEFDNYXQQJ-YPMHNXCESA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccncc1Cl ZINC000658190602 411286195 /nfs/dbraw/zinc/28/61/95/411286195.db2.gz JRYQLFPZLVFWRH-SECBINFHSA-N 1 0 244.741 3.524 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccncc1Cl ZINC000658190604 411285972 /nfs/dbraw/zinc/28/59/72/411285972.db2.gz JRYQLFPZLVFWRH-VIFPVBQESA-N 1 0 244.741 3.524 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658190635 411285621 /nfs/dbraw/zinc/28/56/21/411285621.db2.gz LUHZBVLATMBVEG-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658190637 411286053 /nfs/dbraw/zinc/28/60/53/411286053.db2.gz LUHZBVLATMBVEG-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658190638 411286148 /nfs/dbraw/zinc/28/61/48/411286148.db2.gz LUHZBVLATMBVEG-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658190640 411285625 /nfs/dbraw/zinc/28/56/25/411285625.db2.gz LUHZBVLATMBVEG-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000658190707 411286113 /nfs/dbraw/zinc/28/61/13/411286113.db2.gz SHNKRCNCDJOASE-CYBMUJFWSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000658190708 411285978 /nfs/dbraw/zinc/28/59/78/411285978.db2.gz SHNKRCNCDJOASE-ZDUSSCGKSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)c2ccccc21 ZINC000658190752 411286006 /nfs/dbraw/zinc/28/60/06/411286006.db2.gz ARBRWBQUHKGWHB-BXUZGUMPSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)c2ccccc21 ZINC000658190753 411286163 /nfs/dbraw/zinc/28/61/63/411286163.db2.gz ARBRWBQUHKGWHB-FZMZJTMJSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)c2ccccc21 ZINC000658190754 411285629 /nfs/dbraw/zinc/28/56/29/411285629.db2.gz ARBRWBQUHKGWHB-RISCZKNCSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)c2ccccc21 ZINC000658190755 411285965 /nfs/dbraw/zinc/28/59/65/411285965.db2.gz ARBRWBQUHKGWHB-SMDDNHRTSA-N 1 0 235.346 3.963 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000658190766 411286058 /nfs/dbraw/zinc/28/60/58/411286058.db2.gz AVYOJGHHALIZSM-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000658190767 411286035 /nfs/dbraw/zinc/28/60/35/411286035.db2.gz AVYOJGHHALIZSM-IJLUTSLNSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000658190768 411285902 /nfs/dbraw/zinc/28/59/02/411285902.db2.gz AVYOJGHHALIZSM-UTUOFQBUSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000658190769 411286076 /nfs/dbraw/zinc/28/60/76/411286076.db2.gz AVYOJGHHALIZSM-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(C)F)cs1 ZINC000658190816 411286645 /nfs/dbraw/zinc/28/66/45/411286645.db2.gz CRUIQAPKIWCARN-JTQLQIEISA-N 1 0 229.364 3.845 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)F)cs1 ZINC000658190817 411287079 /nfs/dbraw/zinc/28/70/79/411287079.db2.gz CRUIQAPKIWCARN-SNVBAGLBSA-N 1 0 229.364 3.845 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC(C)(C)F ZINC000658190848 411286933 /nfs/dbraw/zinc/28/69/33/411286933.db2.gz FFKUKBSVYYZGIC-JTQLQIEISA-N 1 0 203.345 3.539 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658190849 411286705 /nfs/dbraw/zinc/28/67/05/411286705.db2.gz FFKUKBSVYYZGIC-SNVBAGLBSA-N 1 0 203.345 3.539 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCC(C)(C)F ZINC000658190852 411287074 /nfs/dbraw/zinc/28/70/74/411287074.db2.gz FGJBTBNFGMXQOL-SECBINFHSA-N 1 0 243.288 3.835 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCC(C)(C)F ZINC000658190853 411286830 /nfs/dbraw/zinc/28/68/30/411286830.db2.gz FGJBTBNFGMXQOL-VIFPVBQESA-N 1 0 243.288 3.835 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCC(C)(C)F)C[C@@H]1c1ccccc1 ZINC000658190901 411286921 /nfs/dbraw/zinc/28/69/21/411286921.db2.gz HHQMTSNOMHKZPW-AEGPPILISA-N 1 0 249.373 3.906 20 0 BHADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000658190902 411286923 /nfs/dbraw/zinc/28/69/23/411286923.db2.gz HHQMTSNOMHKZPW-CFVMTHIKSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H]1[C@H]([NH2+]CCC(C)(C)F)C[C@H]1c1ccccc1 ZINC000658190903 411286480 /nfs/dbraw/zinc/28/64/80/411286480.db2.gz HHQMTSNOMHKZPW-NWANDNLSSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H]1[C@@H]([NH2+]CCC(C)(C)F)C[C@@H]1c1ccccc1 ZINC000658190904 411286489 /nfs/dbraw/zinc/28/64/89/411286489.db2.gz HHQMTSNOMHKZPW-QEJZJMRPSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)(F)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000658191050 411286739 /nfs/dbraw/zinc/28/67/39/411286739.db2.gz IVDAHKPKIYIFTH-UHFFFAOYSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000658191071 411287038 /nfs/dbraw/zinc/28/70/38/411287038.db2.gz JMCREFPUVDBFRV-NEPJUHHUSA-N 1 0 233.346 3.633 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000658191072 411286856 /nfs/dbraw/zinc/28/68/56/411286856.db2.gz JMCREFPUVDBFRV-NWDGAFQWSA-N 1 0 233.346 3.633 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000658191073 411286801 /nfs/dbraw/zinc/28/68/01/411286801.db2.gz JMCREFPUVDBFRV-RYUDHWBXSA-N 1 0 233.346 3.633 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000658191074 411286718 /nfs/dbraw/zinc/28/67/18/411286718.db2.gz JMCREFPUVDBFRV-VXGBXAGGSA-N 1 0 233.346 3.633 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)F)[C@H]1C ZINC000658191081 411286798 /nfs/dbraw/zinc/28/67/98/411286798.db2.gz JRPUUIIQEHDQQL-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1C ZINC000658191082 411287098 /nfs/dbraw/zinc/28/70/98/411287098.db2.gz JRPUUIIQEHDQQL-IJLUTSLNSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)F)[C@@H]1C ZINC000658191084 411286768 /nfs/dbraw/zinc/28/67/68/411286768.db2.gz JRPUUIIQEHDQQL-UTUOFQBUSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)F)[C@H]1C ZINC000658191085 411286463 /nfs/dbraw/zinc/28/64/63/411286463.db2.gz JRPUUIIQEHDQQL-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(C)F)oc1C ZINC000658191131 411286687 /nfs/dbraw/zinc/28/66/87/411286687.db2.gz KTPZIHOYUJESKZ-JTQLQIEISA-N 1 0 227.323 3.685 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)F)oc1C ZINC000658191132 411286511 /nfs/dbraw/zinc/28/65/11/411286511.db2.gz KTPZIHOYUJESKZ-SNVBAGLBSA-N 1 0 227.323 3.685 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000658191161 411287119 /nfs/dbraw/zinc/28/71/19/411287119.db2.gz LRRCQKQNJYOQEP-GHMZBOCLSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000658191162 411286727 /nfs/dbraw/zinc/28/67/27/411286727.db2.gz LRRCQKQNJYOQEP-MNOVXSKESA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000658191163 411287066 /nfs/dbraw/zinc/28/70/66/411287066.db2.gz LRRCQKQNJYOQEP-QWRGUYRKSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000658191164 411286714 /nfs/dbraw/zinc/28/67/14/411286714.db2.gz LRRCQKQNJYOQEP-WDEREUQCSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000658191173 411286899 /nfs/dbraw/zinc/28/68/99/411286899.db2.gz MFZJAEMNXZQECR-QEJZJMRPSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000658191174 411286724 /nfs/dbraw/zinc/28/67/24/411286724.db2.gz MFZJAEMNXZQECR-SNPRPXQTSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000658191192 411287131 /nfs/dbraw/zinc/28/71/31/411287131.db2.gz MWSLPEHTWFGBQY-HNNXBMFYSA-N 1 0 249.373 3.662 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000658191195 411286623 /nfs/dbraw/zinc/28/66/23/411286623.db2.gz MWSLPEHTWFGBQY-OAHLLOKOSA-N 1 0 249.373 3.662 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)c1ccsc1 ZINC000658191225 411286657 /nfs/dbraw/zinc/28/66/57/411286657.db2.gz NIUISFZRCUZWPS-LLVKDONJSA-N 1 0 229.364 3.927 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)c1ccsc1 ZINC000658191226 411287007 /nfs/dbraw/zinc/28/70/07/411287007.db2.gz NIUISFZRCUZWPS-NSHDSACASA-N 1 0 229.364 3.927 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658191266 411286846 /nfs/dbraw/zinc/28/68/46/411286846.db2.gz OOYHBMRANLFUJX-SECBINFHSA-N 1 0 245.363 3.546 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000658191267 411286742 /nfs/dbraw/zinc/28/67/42/411286742.db2.gz OOYHBMRANLFUJX-VIFPVBQESA-N 1 0 245.363 3.546 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)cn1 ZINC000658191294 411286665 /nfs/dbraw/zinc/28/66/65/411286665.db2.gz PEJIGXSGGADKAJ-SECBINFHSA-N 1 0 244.741 3.524 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)cn1 ZINC000658191296 411286945 /nfs/dbraw/zinc/28/69/45/411286945.db2.gz PEJIGXSGGADKAJ-VIFPVBQESA-N 1 0 244.741 3.524 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)F)c1cccnc1 ZINC000658191386 411286804 /nfs/dbraw/zinc/28/68/04/411286804.db2.gz RDMBYQXGOQVCTG-CYBMUJFWSA-N 1 0 238.350 3.651 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)F)c1cccnc1 ZINC000658191387 411287023 /nfs/dbraw/zinc/28/70/23/411287023.db2.gz RDMBYQXGOQVCTG-ZDUSSCGKSA-N 1 0 238.350 3.651 20 0 BHADRO CC(C)(F)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000658191401 411287149 /nfs/dbraw/zinc/28/71/49/411287149.db2.gz RIRSPHAJQDDBTL-UHFFFAOYSA-N 1 0 237.309 3.538 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658191404 411286784 /nfs/dbraw/zinc/28/67/84/411286784.db2.gz RJNBJSWRRZUMSW-NEPJUHHUSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658191405 411286736 /nfs/dbraw/zinc/28/67/36/411286736.db2.gz RJNBJSWRRZUMSW-NWDGAFQWSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658191406 411286852 /nfs/dbraw/zinc/28/68/52/411286852.db2.gz RJNBJSWRRZUMSW-RYUDHWBXSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658191407 411287025 /nfs/dbraw/zinc/28/70/25/411287025.db2.gz RJNBJSWRRZUMSW-VXGBXAGGSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(F)c1F ZINC000658191418 411286940 /nfs/dbraw/zinc/28/69/40/411286940.db2.gz RVNNDENZGKKJMM-SECBINFHSA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cccc(F)c1F ZINC000658191419 411286660 /nfs/dbraw/zinc/28/66/60/411286660.db2.gz RVNNDENZGKKJMM-VIFPVBQESA-N 1 0 245.288 3.754 20 0 BHADRO Cc1ccc(C2CC([NH2+]CCC(C)(C)F)C2)cc1 ZINC000658191436 411287125 /nfs/dbraw/zinc/28/71/25/411287125.db2.gz SXILQPQVLIGYNK-UHFFFAOYSA-N 1 0 249.373 3.969 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)C1CCCC1 ZINC000658191451 411287095 /nfs/dbraw/zinc/28/70/95/411287095.db2.gz UHMDFZRSZODTPX-GFCCVEGCSA-N 1 0 215.356 3.683 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)C1CCCC1 ZINC000658191452 411286673 /nfs/dbraw/zinc/28/66/73/411286673.db2.gz UHMDFZRSZODTPX-LBPRGKRZSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+]C1CCc2ccccc2CC1 ZINC000658191471 411286731 /nfs/dbraw/zinc/28/67/31/411286731.db2.gz UWIQZFAVPASDJB-UHFFFAOYSA-N 1 0 249.373 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658191500 411286761 /nfs/dbraw/zinc/28/67/61/411286761.db2.gz VKMSRRLXYIETMD-GRYCIOLGSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658191502 411286872 /nfs/dbraw/zinc/28/68/72/411286872.db2.gz VKMSRRLXYIETMD-IJLUTSLNSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658191503 411286568 /nfs/dbraw/zinc/28/65/68/411286568.db2.gz VKMSRRLXYIETMD-UTUOFQBUSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658191505 411286893 /nfs/dbraw/zinc/28/68/93/411286893.db2.gz VKMSRRLXYIETMD-WOPDTQHZSA-N 1 0 215.356 3.539 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)F)C1CCC1 ZINC000658191628 411287878 /nfs/dbraw/zinc/28/78/78/411287878.db2.gz WUDBGJMBVDESGW-GFCCVEGCSA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)F)C1CCC1 ZINC000658191629 411287748 /nfs/dbraw/zinc/28/77/48/411287748.db2.gz WUDBGJMBVDESGW-LBPRGKRZSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CCC(C)(C)F ZINC000658191657 411287580 /nfs/dbraw/zinc/28/75/80/411287580.db2.gz XTWJJQXHXAMUNQ-LLVKDONJSA-N 1 0 243.391 3.797 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CCC(C)(C)F ZINC000658191658 411287270 /nfs/dbraw/zinc/28/72/70/411287270.db2.gz XTWJJQXHXAMUNQ-NSHDSACASA-N 1 0 243.391 3.797 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000658191661 411287461 /nfs/dbraw/zinc/28/74/61/411287461.db2.gz XUGUTUBCAZVJOA-CHWSQXEVSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000658191662 411287817 /nfs/dbraw/zinc/28/78/17/411287817.db2.gz XUGUTUBCAZVJOA-OLZOCXBDSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000658191663 411287295 /nfs/dbraw/zinc/28/72/95/411287295.db2.gz XUGUTUBCAZVJOA-QWHCGFSZSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000658191664 411287381 /nfs/dbraw/zinc/28/73/81/411287381.db2.gz XUGUTUBCAZVJOA-STQMWFEESA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000658191676 411287797 /nfs/dbraw/zinc/28/77/97/411287797.db2.gz YLTMJVFGTVDUQK-GFCCVEGCSA-N 1 0 227.367 3.827 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000658191677 411287845 /nfs/dbraw/zinc/28/78/45/411287845.db2.gz YLTMJVFGTVDUQK-LBPRGKRZSA-N 1 0 227.367 3.827 20 0 BHADRO Cc1ccccc1C1CC([NH2+]CCC(C)(C)F)C1 ZINC000658191696 411287674 /nfs/dbraw/zinc/28/76/74/411287674.db2.gz YYZLYZVDMYKOOI-UHFFFAOYSA-N 1 0 249.373 3.969 20 0 BHADRO CCCC(CCC)[NH2+]CCC(C)(C)F ZINC000658191773 411287689 /nfs/dbraw/zinc/28/76/89/411287689.db2.gz CDOBPJILQVPWES-UHFFFAOYSA-N 1 0 203.345 3.683 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)F)cc1 ZINC000658191850 411287726 /nfs/dbraw/zinc/28/77/26/411287726.db2.gz FRFRLDVKTBMETQ-GFCCVEGCSA-N 1 0 223.335 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)F)cc1 ZINC000658191851 411287411 /nfs/dbraw/zinc/28/74/11/411287411.db2.gz FRFRLDVKTBMETQ-LBPRGKRZSA-N 1 0 223.335 3.784 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccs1 ZINC000658192159 411287406 /nfs/dbraw/zinc/28/74/06/411287406.db2.gz ZCBUIXIFILYGCN-SECBINFHSA-N 1 0 215.337 3.537 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cccs1 ZINC000658192160 411287849 /nfs/dbraw/zinc/28/78/49/411287849.db2.gz ZCBUIXIFILYGCN-VIFPVBQESA-N 1 0 215.337 3.537 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192219 411287620 /nfs/dbraw/zinc/28/76/20/411287620.db2.gz BWEWEGKLBFGYJF-BXUZGUMPSA-N 1 0 235.346 3.648 20 0 BHADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(C)F ZINC000658192220 411287353 /nfs/dbraw/zinc/28/73/53/411287353.db2.gz BWEWEGKLBFGYJF-FZMZJTMJSA-N 1 0 235.346 3.648 20 0 BHADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(C)F ZINC000658192221 411287810 /nfs/dbraw/zinc/28/78/10/411287810.db2.gz BWEWEGKLBFGYJF-RISCZKNCSA-N 1 0 235.346 3.648 20 0 BHADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192222 411287392 /nfs/dbraw/zinc/28/73/92/411287392.db2.gz BWEWEGKLBFGYJF-SMDDNHRTSA-N 1 0 235.346 3.648 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658192225 411287555 /nfs/dbraw/zinc/28/75/55/411287555.db2.gz CADCSJHNHMHZHI-CYBMUJFWSA-N 1 0 239.309 3.541 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658192226 411287759 /nfs/dbraw/zinc/28/77/59/411287759.db2.gz CADCSJHNHMHZHI-ZDUSSCGKSA-N 1 0 239.309 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC(C)(C)F)c1cccnc1 ZINC000658192306 411287790 /nfs/dbraw/zinc/28/77/90/411287790.db2.gz FYJFZQIJRFRKEZ-CYBMUJFWSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)[C@H]([NH2+]CCC(C)(C)F)c1cccnc1 ZINC000658192307 411287587 /nfs/dbraw/zinc/28/75/87/411287587.db2.gz FYJFZQIJRFRKEZ-ZDUSSCGKSA-N 1 0 238.350 3.507 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)[C@@H](C)c1ccccc1 ZINC000658192314 411287624 /nfs/dbraw/zinc/28/76/24/411287624.db2.gz GIBQBXLTARAQEO-CHWSQXEVSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)[C@@H](C)c1ccccc1 ZINC000658192315 411287787 /nfs/dbraw/zinc/28/77/87/411287787.db2.gz GIBQBXLTARAQEO-OLZOCXBDSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)[C@H](C)c1ccccc1 ZINC000658192316 411287741 /nfs/dbraw/zinc/28/77/41/411287741.db2.gz GIBQBXLTARAQEO-QWHCGFSZSA-N 1 0 237.362 3.906 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(C)F ZINC000658192317 411287854 /nfs/dbraw/zinc/28/78/54/411287854.db2.gz GIBQBXLTARAQEO-STQMWFEESA-N 1 0 237.362 3.906 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC(C)(C)F ZINC000658192330 411287433 /nfs/dbraw/zinc/28/74/33/411287433.db2.gz GVAZRLWWCLWGFD-GDNZZTSVSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC(C)(C)F ZINC000658192331 411287744 /nfs/dbraw/zinc/28/77/44/411287744.db2.gz GVAZRLWWCLWGFD-GHMZBOCLSA-N 1 0 215.356 3.539 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC(C)(C)F ZINC000658192332 411287642 /nfs/dbraw/zinc/28/76/42/411287642.db2.gz GVAZRLWWCLWGFD-QWRGUYRKSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(C)(C)F)CC2 ZINC000658192337 411287617 /nfs/dbraw/zinc/28/76/17/411287617.db2.gz GXQZJVKNFQZOCP-AWEZNQCLSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(C)(C)F)CC2 ZINC000658192338 411287415 /nfs/dbraw/zinc/28/74/15/411287415.db2.gz GXQZJVKNFQZOCP-CQSZACIVSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000658192345 411287755 /nfs/dbraw/zinc/28/77/55/411287755.db2.gz HDEOKEWMYFIGFU-JTQLQIEISA-N 1 0 229.364 3.845 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658192346 411287784 /nfs/dbraw/zinc/28/77/84/411287784.db2.gz HDEOKEWMYFIGFU-SNVBAGLBSA-N 1 0 229.364 3.845 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000658192347 411287596 /nfs/dbraw/zinc/28/75/96/411287596.db2.gz HFCJJDBLPZNSAP-AWEZNQCLSA-N 1 0 237.362 3.736 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000658192348 411287365 /nfs/dbraw/zinc/28/73/65/411287365.db2.gz HFCJJDBLPZNSAP-CQSZACIVSA-N 1 0 237.362 3.736 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000658192355 411287524 /nfs/dbraw/zinc/28/75/24/411287524.db2.gz HNRJRSJRIKZRGV-LLVKDONJSA-N 1 0 241.375 3.853 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCc2sccc21 ZINC000658192356 411287562 /nfs/dbraw/zinc/28/75/62/411287562.db2.gz HNRJRSJRIKZRGV-NSHDSACASA-N 1 0 241.375 3.853 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CCC(C)(C)F ZINC000658192396 411288572 /nfs/dbraw/zinc/28/85/72/411288572.db2.gz IXBBGDBBSKGTSZ-LLVKDONJSA-N 1 0 243.391 3.797 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CCC(C)(C)F ZINC000658192397 411288194 /nfs/dbraw/zinc/28/81/94/411288194.db2.gz IXBBGDBBSKGTSZ-NSHDSACASA-N 1 0 243.391 3.797 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCC(C)(C)F)c(C)s1 ZINC000658192414 411288592 /nfs/dbraw/zinc/28/85/92/411288592.db2.gz JOZLXKOQKCMUKT-MRVPVSSYSA-N 1 0 244.379 3.549 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCC(C)(C)F)c(C)s1 ZINC000658192415 411288296 /nfs/dbraw/zinc/28/82/96/411288296.db2.gz JOZLXKOQKCMUKT-QMMMGPOBSA-N 1 0 244.379 3.549 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658192425 411288439 /nfs/dbraw/zinc/28/84/39/411288439.db2.gz JWOJMZUGRZIIJV-GFCCVEGCSA-N 1 0 215.356 3.849 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC(C)(C)F ZINC000658192426 411288136 /nfs/dbraw/zinc/28/81/36/411288136.db2.gz JWOJMZUGRZIIJV-LBPRGKRZSA-N 1 0 215.356 3.849 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)F)s1 ZINC000658192460 411288616 /nfs/dbraw/zinc/28/86/16/411288616.db2.gz LRJZXUPZIOJBGA-JTQLQIEISA-N 1 0 229.364 3.845 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)F)s1 ZINC000658192461 411288486 /nfs/dbraw/zinc/28/84/86/411288486.db2.gz LRJZXUPZIOJBGA-SNVBAGLBSA-N 1 0 229.364 3.845 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)F)c1cccs1 ZINC000658192467 411288443 /nfs/dbraw/zinc/28/84/43/411288443.db2.gz LXVXYWIJQKONRN-JTQLQIEISA-N 1 0 229.364 3.927 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)F)c1cccs1 ZINC000658192468 411288198 /nfs/dbraw/zinc/28/81/98/411288198.db2.gz LXVXYWIJQKONRN-SNVBAGLBSA-N 1 0 229.364 3.927 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CCC(C)(C)F ZINC000658192572 411288554 /nfs/dbraw/zinc/28/85/54/411288554.db2.gz MFERHYMJCNMYKH-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CCC(C)(C)F ZINC000658192573 411288300 /nfs/dbraw/zinc/28/83/00/411288300.db2.gz MFERHYMJCNMYKH-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)F)c1ccccn1 ZINC000658192583 411288345 /nfs/dbraw/zinc/28/83/45/411288345.db2.gz MQYSGBJWJQHAQN-GFCCVEGCSA-N 1 0 238.350 3.651 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)F)c1ccccn1 ZINC000658192584 411288301 /nfs/dbraw/zinc/28/83/01/411288301.db2.gz MQYSGBJWJQHAQN-LBPRGKRZSA-N 1 0 238.350 3.651 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CCC(C)(C)F ZINC000658192585 411288503 /nfs/dbraw/zinc/28/85/03/411288503.db2.gz MRHBVNKAFCTNNJ-LLVKDONJSA-N 1 0 203.345 3.683 20 0 BHADRO CCCC[C@H](CC)[NH2+]CCC(C)(C)F ZINC000658192586 411288584 /nfs/dbraw/zinc/28/85/84/411288584.db2.gz MRHBVNKAFCTNNJ-NSHDSACASA-N 1 0 203.345 3.683 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccsc1 ZINC000658192599 411288342 /nfs/dbraw/zinc/28/83/42/411288342.db2.gz NCXYLYYNNYRAFD-SECBINFHSA-N 1 0 215.337 3.537 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccsc1 ZINC000658192600 411288619 /nfs/dbraw/zinc/28/86/19/411288619.db2.gz NCXYLYYNNYRAFD-VIFPVBQESA-N 1 0 215.337 3.537 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000658192607 411288196 /nfs/dbraw/zinc/28/81/96/411288196.db2.gz NJULZQKWRUSUFO-CHWSQXEVSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000658192608 411288575 /nfs/dbraw/zinc/28/85/75/411288575.db2.gz NJULZQKWRUSUFO-OLZOCXBDSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000658192609 411288557 /nfs/dbraw/zinc/28/85/57/411288557.db2.gz NJULZQKWRUSUFO-QWHCGFSZSA-N 1 0 227.367 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000658192610 411288263 /nfs/dbraw/zinc/28/82/63/411288263.db2.gz NJULZQKWRUSUFO-STQMWFEESA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000658192613 411288294 /nfs/dbraw/zinc/28/82/94/411288294.db2.gz NLAWVTKUNICMHZ-SECBINFHSA-N 1 0 245.288 3.754 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000658192614 411288395 /nfs/dbraw/zinc/28/83/95/411288395.db2.gz NLAWVTKUNICMHZ-VIFPVBQESA-N 1 0 245.288 3.754 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)F)s1 ZINC000658192630 411288160 /nfs/dbraw/zinc/28/81/60/411288160.db2.gz ODROFQWYUOBHHX-MRVPVSSYSA-N 1 0 244.379 3.549 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+]CCC(C)(C)F)s1 ZINC000658192631 411288628 /nfs/dbraw/zinc/28/86/28/411288628.db2.gz ODROFQWYUOBHHX-QMMMGPOBSA-N 1 0 244.379 3.549 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC(C)(C)F ZINC000658192648 411288141 /nfs/dbraw/zinc/28/81/41/411288141.db2.gz OSFHNDGEIZIXKO-AWEZNQCLSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC(C)(C)F ZINC000658192649 411288614 /nfs/dbraw/zinc/28/86/14/411288614.db2.gz OSFHNDGEIZIXKO-CQSZACIVSA-N 1 0 235.346 3.710 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000658192670 411288501 /nfs/dbraw/zinc/28/85/01/411288501.db2.gz PMLLKZOXRXQBKI-AWEZNQCLSA-N 1 0 235.346 3.866 20 0 BHADRO CC(C)(F)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000658192671 411288162 /nfs/dbraw/zinc/28/81/62/411288162.db2.gz PMLLKZOXRXQBKI-CQSZACIVSA-N 1 0 235.346 3.866 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000658192994 411288607 /nfs/dbraw/zinc/28/86/07/411288607.db2.gz QGWSZDOLNHVIMF-HNNXBMFYSA-N 1 0 249.373 3.736 20 0 BHADRO CC(C)(F)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000658192995 411288389 /nfs/dbraw/zinc/28/83/89/411288389.db2.gz QGWSZDOLNHVIMF-OAHLLOKOSA-N 1 0 249.373 3.736 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCC(C)(C)F)o1 ZINC000658192996 411288578 /nfs/dbraw/zinc/28/85/78/411288578.db2.gz QIGINALOSZQYQD-JTQLQIEISA-N 1 0 227.323 3.631 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCC(C)(C)F)o1 ZINC000658192997 411288525 /nfs/dbraw/zinc/28/85/25/411288525.db2.gz QIGINALOSZQYQD-SNVBAGLBSA-N 1 0 227.323 3.631 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)C1CCCCC1 ZINC000658193000 411288254 /nfs/dbraw/zinc/28/82/54/411288254.db2.gz QKEXNNHTGRVKIS-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)C1CCCCC1 ZINC000658193001 411288493 /nfs/dbraw/zinc/28/84/93/411288493.db2.gz QKEXNNHTGRVKIS-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000658193006 411288137 /nfs/dbraw/zinc/28/81/37/411288137.db2.gz RHLANNTXKGPEMB-LLVKDONJSA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CCCCC1(C)C ZINC000658193007 411288262 /nfs/dbraw/zinc/28/82/62/411288262.db2.gz RHLANNTXKGPEMB-NSHDSACASA-N 1 0 215.356 3.683 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658193018 411288149 /nfs/dbraw/zinc/28/81/49/411288149.db2.gz ROQPGILROVHHLE-LLVKDONJSA-N 1 0 203.345 3.539 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCC(C)(C)F ZINC000658193019 411288175 /nfs/dbraw/zinc/28/81/75/411288175.db2.gz ROQPGILROVHHLE-NSHDSACASA-N 1 0 203.345 3.539 20 0 BHADRO CC(C)(F)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000658193068 411288206 /nfs/dbraw/zinc/28/82/06/411288206.db2.gz SVFNFUUKCBBYTO-UHFFFAOYSA-N 1 0 235.346 3.660 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193381 411288516 /nfs/dbraw/zinc/28/85/16/411288516.db2.gz UBVNIIJVODZEJZ-NEPJUHHUSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193383 411288533 /nfs/dbraw/zinc/28/85/33/411288533.db2.gz UBVNIIJVODZEJZ-NWDGAFQWSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193385 411288282 /nfs/dbraw/zinc/28/82/82/411288282.db2.gz UBVNIIJVODZEJZ-RYUDHWBXSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193386 411288238 /nfs/dbraw/zinc/28/82/38/411288238.db2.gz UBVNIIJVODZEJZ-VXGBXAGGSA-N 1 0 215.356 3.539 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC(C)(C)F)c(C)o1 ZINC000658193524 411288447 /nfs/dbraw/zinc/28/84/47/411288447.db2.gz WGOZEBTZZIJDEH-JTQLQIEISA-N 1 0 227.323 3.685 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)F)c(C)o1 ZINC000658193528 411288560 /nfs/dbraw/zinc/28/85/60/411288560.db2.gz WGOZEBTZZIJDEH-SNVBAGLBSA-N 1 0 227.323 3.685 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)c2ccccc21 ZINC000658196270 411289204 /nfs/dbraw/zinc/28/92/04/411289204.db2.gz CVEPFIKRLSCEFI-BLLLJJGKSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@H]1C[C@H]([NH2+]CCc2ccoc2)c2ccccc21 ZINC000658196271 411289211 /nfs/dbraw/zinc/28/92/11/411289211.db2.gz CVEPFIKRLSCEFI-LRDDRELGSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)c2ccccc21 ZINC000658196272 411289168 /nfs/dbraw/zinc/28/91/68/411289168.db2.gz CVEPFIKRLSCEFI-MLGOLLRUSA-N 1 0 241.334 3.660 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)c2ccccc21 ZINC000658196274 411289227 /nfs/dbraw/zinc/28/92/27/411289227.db2.gz CVEPFIKRLSCEFI-WBMJQRKESA-N 1 0 241.334 3.660 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCc1ccoc1 ZINC000658196500 411289659 /nfs/dbraw/zinc/28/96/59/411289659.db2.gz BJDFPXGKMHTMDF-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCc1ccoc1 ZINC000658196503 411289556 /nfs/dbraw/zinc/28/95/56/411289556.db2.gz BJDFPXGKMHTMDF-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCc2ccoc2)s1 ZINC000658197021 411289630 /nfs/dbraw/zinc/28/96/30/411289630.db2.gz DMIUCXCMSPHVGB-LLVKDONJSA-N 1 0 249.379 3.797 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCc2ccoc2)s1 ZINC000658197025 411289741 /nfs/dbraw/zinc/28/97/41/411289741.db2.gz DMIUCXCMSPHVGB-NSHDSACASA-N 1 0 249.379 3.797 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCc2ccoc2)s1 ZINC000658197463 411289158 /nfs/dbraw/zinc/28/91/58/411289158.db2.gz HJYXVJJFTADQCO-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCc2ccoc2)s1 ZINC000658197464 411289163 /nfs/dbraw/zinc/28/91/63/411289163.db2.gz HJYXVJJFTADQCO-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccoc2)c(C)s1 ZINC000658197481 411289591 /nfs/dbraw/zinc/28/95/91/411289591.db2.gz HONTZHVDHZVRHR-LLVKDONJSA-N 1 0 249.379 3.851 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccoc2)c(C)s1 ZINC000658197482 411289637 /nfs/dbraw/zinc/28/96/37/411289637.db2.gz HONTZHVDHZVRHR-NSHDSACASA-N 1 0 249.379 3.851 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1ccccc1F ZINC000658197715 411290587 /nfs/dbraw/zinc/29/05/87/411290587.db2.gz DMMOYQFFFOWSPI-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1ccccc1F ZINC000658197719 411290571 /nfs/dbraw/zinc/29/05/71/411290571.db2.gz DMMOYQFFFOWSPI-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1cccs1 ZINC000658198707 411290212 /nfs/dbraw/zinc/29/02/12/411290212.db2.gz KMFPJXVPETVSKT-GFCCVEGCSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1cccs1 ZINC000658198708 411290414 /nfs/dbraw/zinc/29/04/14/411290414.db2.gz KMFPJXVPETVSKT-LBPRGKRZSA-N 1 0 235.352 3.625 20 0 BHADRO c1cc(CC[NH2+][C@@H](c2ccccc2)C2CC2)co1 ZINC000658199435 411290549 /nfs/dbraw/zinc/29/05/49/411290549.db2.gz KITODOWUQUQKGH-INIZCTEOSA-N 1 0 241.334 3.563 20 0 BHADRO c1cc(CC[NH2+][C@H](c2ccccc2)C2CC2)co1 ZINC000658199437 411290228 /nfs/dbraw/zinc/29/02/28/411290228.db2.gz KITODOWUQUQKGH-MRXNPFEDSA-N 1 0 241.334 3.563 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccoc1 ZINC000658199902 411291520 /nfs/dbraw/zinc/29/15/20/411291520.db2.gz OALRGKZUAYMNCQ-KBPBESRZSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@H]([NH2+]CCc1ccoc1)[C@@H](C)c1ccccc1 ZINC000658199905 411290809 /nfs/dbraw/zinc/29/08/09/411290809.db2.gz OALRGKZUAYMNCQ-KGLIPLIRSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@@H]([NH2+]CCc1ccoc1)[C@H](C)c1ccccc1 ZINC000658199909 411291030 /nfs/dbraw/zinc/29/10/30/411291030.db2.gz OALRGKZUAYMNCQ-UONOGXRCSA-N 1 0 243.350 3.604 20 0 BHADRO C[C@@H]([NH2+]CCc1ccoc1)[C@@H](C)c1ccccc1 ZINC000658199914 411291130 /nfs/dbraw/zinc/29/11/30/411291130.db2.gz OALRGKZUAYMNCQ-ZIAGYGMSSA-N 1 0 243.350 3.604 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCc2ccoc2)c1C ZINC000658199923 411290959 /nfs/dbraw/zinc/29/09/59/411290959.db2.gz ODVUMLYBEILCNL-AWEZNQCLSA-N 1 0 243.350 3.790 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCc2ccoc2)c1C ZINC000658199926 411291322 /nfs/dbraw/zinc/29/13/22/411291322.db2.gz ODVUMLYBEILCNL-CQSZACIVSA-N 1 0 243.350 3.790 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1ccsc1 ZINC000658200244 411290126 /nfs/dbraw/zinc/29/01/26/411290126.db2.gz ODZUBSSYDSSJHU-CYBMUJFWSA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1ccsc1 ZINC000658200245 411290790 /nfs/dbraw/zinc/29/07/90/411290790.db2.gz ODZUBSSYDSSJHU-ZDUSSCGKSA-N 1 0 235.352 3.625 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCc2ccoc2)cs1 ZINC000658200268 411290769 /nfs/dbraw/zinc/29/07/69/411290769.db2.gz OLRGTUUXDANWOQ-LLVKDONJSA-N 1 0 235.352 3.543 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCc2ccoc2)cs1 ZINC000658200269 411291315 /nfs/dbraw/zinc/29/13/15/411291315.db2.gz OLRGTUUXDANWOQ-NSHDSACASA-N 1 0 235.352 3.543 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCCC23CCCC3)co1 ZINC000658200993 411291085 /nfs/dbraw/zinc/29/10/85/411291085.db2.gz RGGFPNURLIAHBI-AWEZNQCLSA-N 1 0 233.355 3.525 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCCC23CCCC3)co1 ZINC000658200996 411291105 /nfs/dbraw/zinc/29/11/05/411291105.db2.gz RGGFPNURLIAHBI-CQSZACIVSA-N 1 0 233.355 3.525 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1ccoc1 ZINC000658201965 411291396 /nfs/dbraw/zinc/29/13/96/411291396.db2.gz SHVPYEDGPLEFNU-JTQLQIEISA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1ccoc1 ZINC000658201966 411290983 /nfs/dbraw/zinc/29/09/83/411290983.db2.gz SHVPYEDGPLEFNU-SNVBAGLBSA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]CCc1ccoc1 ZINC000658202419 411291279 /nfs/dbraw/zinc/29/12/79/411291279.db2.gz UCAHEDZHFPLDQD-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCc1ccoc1 ZINC000658202420 411291043 /nfs/dbraw/zinc/29/10/43/411291043.db2.gz UCAHEDZHFPLDQD-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccoc1 ZINC000658202734 411291732 /nfs/dbraw/zinc/29/17/32/411291732.db2.gz WTGBJMGTSDSECV-CYBMUJFWSA-N 1 0 221.344 3.547 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccoc1 ZINC000658202735 411292383 /nfs/dbraw/zinc/29/23/83/411292383.db2.gz WTGBJMGTSDSECV-ZDUSSCGKSA-N 1 0 221.344 3.547 20 0 BHADRO c1cc(CC[NH2+][C@@H]2CCCc3sccc32)co1 ZINC000658203192 411292033 /nfs/dbraw/zinc/29/20/33/411292033.db2.gz YLTPVFBPLWYFCV-CYBMUJFWSA-N 1 0 247.363 3.551 20 0 BHADRO c1cc(CC[NH2+][C@H]2CCCc3sccc32)co1 ZINC000658203194 411291904 /nfs/dbraw/zinc/29/19/04/411291904.db2.gz YLTPVFBPLWYFCV-ZDUSSCGKSA-N 1 0 247.363 3.551 20 0 BHADRO CC[C@H]([NH2+]CCc1ccoc1)c1cccc(F)c1 ZINC000658203398 411292320 /nfs/dbraw/zinc/29/23/20/411292320.db2.gz XDUKGLSVQPVFKO-HNNXBMFYSA-N 1 0 247.313 3.702 20 0 BHADRO CC[C@@H]([NH2+]CCc1ccoc1)c1cccc(F)c1 ZINC000658203399 411292015 /nfs/dbraw/zinc/29/20/15/411292015.db2.gz XDUKGLSVQPVFKO-OAHLLOKOSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccs1 ZINC000658204850 411292445 /nfs/dbraw/zinc/29/24/45/411292445.db2.gz CEQKYIVNYSDXSW-RNJOBUHISA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1cccs1 ZINC000658204851 411292311 /nfs/dbraw/zinc/29/23/11/411292311.db2.gz CEQKYIVNYSDXSW-ZDEQEGDKSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000658204895 411291940 /nfs/dbraw/zinc/29/19/40/411291940.db2.gz DBVRBSGFEUIAKH-OPDFLTKYSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccsc1 ZINC000658204896 411292108 /nfs/dbraw/zinc/29/21/08/411292108.db2.gz DBVRBSGFEUIAKH-ZJQBRPOHSA-N 1 0 235.396 3.835 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658205070 411292895 /nfs/dbraw/zinc/29/28/95/411292895.db2.gz FLAUFNBWFBDDRC-NYTXWWLZSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658205072 411292699 /nfs/dbraw/zinc/29/26/99/411292699.db2.gz FLAUFNBWFBDDRC-ORIJERBGSA-N 1 0 247.382 3.627 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658205410 411293033 /nfs/dbraw/zinc/29/30/33/411293033.db2.gz HRAZUFKUGIVKTH-NOOOWODRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658205416 411292876 /nfs/dbraw/zinc/29/28/76/411292876.db2.gz HRAZUFKUGIVKTH-WYUUTHIRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)C(C)(C)C(F)F ZINC000658206846 411291787 /nfs/dbraw/zinc/29/17/87/411291787.db2.gz KSBSKPBZLBHKOP-FIQHERPVSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C(F)F ZINC000658206847 411292216 /nfs/dbraw/zinc/29/22/16/411292216.db2.gz KSBSKPBZLBHKOP-USZNOCQGSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658207067 411293525 /nfs/dbraw/zinc/29/35/25/411293525.db2.gz SCTQGGCENWDQFX-CXTNEJHOSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658207070 411293589 /nfs/dbraw/zinc/29/35/89/411293589.db2.gz SCTQGGCENWDQFX-UKTARXLSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658207241 411293309 /nfs/dbraw/zinc/29/33/09/411293309.db2.gz SYMZPYVYOUASIB-RZFFKMDDSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658207243 411293405 /nfs/dbraw/zinc/29/34/05/411293405.db2.gz SYMZPYVYOUASIB-UQOMUDLDSA-N 1 0 249.423 3.705 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccncc1 ZINC000658207745 411293370 /nfs/dbraw/zinc/29/33/70/411293370.db2.gz WULDTUIUJLFYMK-JONQDZQNSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000658207747 411293314 /nfs/dbraw/zinc/29/33/14/411293314.db2.gz WULDTUIUJLFYMK-UGUYLWEFSA-N 1 0 244.382 3.559 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000658207761 411293571 /nfs/dbraw/zinc/29/35/71/411293571.db2.gz WZRCEBKJKCGPLT-CRWXNKLISA-N 1 0 233.355 3.675 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000658207763 411294236 /nfs/dbraw/zinc/29/42/36/411294236.db2.gz WZRCEBKJKCGPLT-XDQVBPFNSA-N 1 0 233.355 3.675 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000658209330 411294238 /nfs/dbraw/zinc/29/42/38/411294238.db2.gz OSOCUTHCLQUTOH-LLVKDONJSA-N 1 0 241.400 3.563 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000658209331 411294665 /nfs/dbraw/zinc/29/46/65/411294665.db2.gz OSOCUTHCLQUTOH-NSHDSACASA-N 1 0 241.400 3.563 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1(F)F ZINC000658216212 411295751 /nfs/dbraw/zinc/29/57/51/411295751.db2.gz ALKVJVZTWHHXLN-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1(F)F ZINC000658216213 411295876 /nfs/dbraw/zinc/29/58/76/411295876.db2.gz ALKVJVZTWHHXLN-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1(F)F ZINC000658216214 411295721 /nfs/dbraw/zinc/29/57/21/411295721.db2.gz ALKVJVZTWHHXLN-RWMBFGLXSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1(F)F ZINC000658216215 411296044 /nfs/dbraw/zinc/29/60/44/411296044.db2.gz ALKVJVZTWHHXLN-YNEHKIRRSA-N 1 0 243.341 3.590 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658216406 411296934 /nfs/dbraw/zinc/29/69/34/411296934.db2.gz BMHOWWRPEJSDNT-BPCQOVAHSA-N 1 0 245.357 3.980 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658216407 411296889 /nfs/dbraw/zinc/29/68/89/411296889.db2.gz BMHOWWRPEJSDNT-WXRRBKDZSA-N 1 0 245.357 3.980 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)o1 ZINC000658216436 411297110 /nfs/dbraw/zinc/29/71/10/411297110.db2.gz BWOQFKIJYRQAOB-BXKDBHETSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)o1 ZINC000658216437 411296953 /nfs/dbraw/zinc/29/69/53/411296953.db2.gz BWOQFKIJYRQAOB-CABZTGNLSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)o1 ZINC000658216438 411296818 /nfs/dbraw/zinc/29/68/18/411296818.db2.gz BWOQFKIJYRQAOB-JOYOIKCWSA-N 1 0 243.297 3.538 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)o1 ZINC000658216439 411297138 /nfs/dbraw/zinc/29/71/38/411297138.db2.gz BWOQFKIJYRQAOB-SKDRFNHKSA-N 1 0 243.297 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)s1 ZINC000658216706 411296930 /nfs/dbraw/zinc/29/69/30/411296930.db2.gz AOCLXHSIPGCOHL-GXSJLCMTSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)s1 ZINC000658216707 411296826 /nfs/dbraw/zinc/29/68/26/411296826.db2.gz AOCLXHSIPGCOHL-KOLCDFICSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)s1 ZINC000658216708 411296591 /nfs/dbraw/zinc/29/65/91/411296591.db2.gz AOCLXHSIPGCOHL-MWLCHTKSSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)s1 ZINC000658216709 411296775 /nfs/dbraw/zinc/29/67/75/411296775.db2.gz AOCLXHSIPGCOHL-ONGXEEELSA-N 1 0 245.338 3.752 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658216877 411296684 /nfs/dbraw/zinc/29/66/84/411296684.db2.gz DCGYSUICKWZBGE-NEPJUHHUSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658216878 411297259 /nfs/dbraw/zinc/29/72/59/411297259.db2.gz DCGYSUICKWZBGE-NWDGAFQWSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658216880 411297209 /nfs/dbraw/zinc/29/72/09/411297209.db2.gz DCGYSUICKWZBGE-RYUDHWBXSA-N 1 0 231.330 3.756 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658216882 411296738 /nfs/dbraw/zinc/29/67/38/411296738.db2.gz DCGYSUICKWZBGE-VXGBXAGGSA-N 1 0 231.330 3.756 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1(F)F ZINC000658217583 411300545 /nfs/dbraw/zinc/30/05/45/411300545.db2.gz GNJXGSYBSTUUEW-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1(F)F ZINC000658217586 411300533 /nfs/dbraw/zinc/30/05/33/411300533.db2.gz GNJXGSYBSTUUEW-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1(F)F ZINC000658217588 411300573 /nfs/dbraw/zinc/30/05/73/411300573.db2.gz GNJXGSYBSTUUEW-RWMBFGLXSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1(F)F ZINC000658217590 411300254 /nfs/dbraw/zinc/30/02/54/411300254.db2.gz GNJXGSYBSTUUEW-YNEHKIRRSA-N 1 0 243.341 3.590 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc1 ZINC000658217843 411298133 /nfs/dbraw/zinc/29/81/33/411298133.db2.gz GBNAHEVRVKHZMC-AAEUAGOBSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc1 ZINC000658217846 411297838 /nfs/dbraw/zinc/29/78/38/411297838.db2.gz GBNAHEVRVKHZMC-DGCLKSJQSA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc1 ZINC000658217851 411297678 /nfs/dbraw/zinc/29/76/78/411297678.db2.gz GBNAHEVRVKHZMC-WCQYABFASA-N 1 0 239.309 3.691 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc1 ZINC000658217856 411297740 /nfs/dbraw/zinc/29/77/40/411297740.db2.gz GBNAHEVRVKHZMC-YPMHNXCESA-N 1 0 239.309 3.691 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658217941 411297935 /nfs/dbraw/zinc/29/79/35/411297935.db2.gz BHCCXLNFOJBBQG-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658217943 411297552 /nfs/dbraw/zinc/29/75/52/411297552.db2.gz BHCCXLNFOJBBQG-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658217944 411298013 /nfs/dbraw/zinc/29/80/13/411298013.db2.gz BHCCXLNFOJBBQG-XQQFMLRXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658217947 411297738 /nfs/dbraw/zinc/29/77/38/411297738.db2.gz BHCCXLNFOJBBQG-YNEHKIRRSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658218091 411297600 /nfs/dbraw/zinc/29/76/00/411297600.db2.gz BLTUVVPHBHBGHJ-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658218092 411297947 /nfs/dbraw/zinc/29/79/47/411297947.db2.gz BLTUVVPHBHBGHJ-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658218093 411297859 /nfs/dbraw/zinc/29/78/59/411297859.db2.gz BLTUVVPHBHBGHJ-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658218094 411297744 /nfs/dbraw/zinc/29/77/44/411297744.db2.gz BLTUVVPHBHBGHJ-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658218139 411297874 /nfs/dbraw/zinc/29/78/74/411297874.db2.gz CIGMTHPZGKPVSC-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658218140 411297759 /nfs/dbraw/zinc/29/77/59/411297759.db2.gz CIGMTHPZGKPVSC-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658218141 411298065 /nfs/dbraw/zinc/29/80/65/411298065.db2.gz CIGMTHPZGKPVSC-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658218142 411297975 /nfs/dbraw/zinc/29/79/75/411297975.db2.gz CIGMTHPZGKPVSC-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218228 411297951 /nfs/dbraw/zinc/29/79/51/411297951.db2.gz ISWGBBOSPUNYRZ-GXSJLCMTSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218230 411298106 /nfs/dbraw/zinc/29/81/06/411298106.db2.gz ISWGBBOSPUNYRZ-KOLCDFICSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218232 411297611 /nfs/dbraw/zinc/29/76/11/411297611.db2.gz ISWGBBOSPUNYRZ-MWLCHTKSSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218234 411297537 /nfs/dbraw/zinc/29/75/37/411297537.db2.gz ISWGBBOSPUNYRZ-ONGXEEELSA-N 1 0 245.338 3.752 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218261 411297561 /nfs/dbraw/zinc/29/75/61/411297561.db2.gz IWAGPIZQVKNSKC-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218265 411297479 /nfs/dbraw/zinc/29/74/79/411297479.db2.gz IWAGPIZQVKNSKC-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218267 411297915 /nfs/dbraw/zinc/29/79/15/411297915.db2.gz IWAGPIZQVKNSKC-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218268 411297641 /nfs/dbraw/zinc/29/76/41/411297641.db2.gz IWAGPIZQVKNSKC-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1(F)F ZINC000658218391 411297954 /nfs/dbraw/zinc/29/79/54/411297954.db2.gz DAEFJSHYTMQMCZ-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1(F)F ZINC000658218392 411297724 /nfs/dbraw/zinc/29/77/24/411297724.db2.gz DAEFJSHYTMQMCZ-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@]1(CC[NH2+][C@H](C2CC2)C2CCC2)CC1(F)F ZINC000658218393 411297849 /nfs/dbraw/zinc/29/78/49/411297849.db2.gz DAEFJSHYTMQMCZ-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@H](C2CC2)C2CCC2)CC1(F)F ZINC000658218394 411298056 /nfs/dbraw/zinc/29/80/56/411298056.db2.gz DAEFJSHYTMQMCZ-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658218413 411297969 /nfs/dbraw/zinc/29/79/69/411297969.db2.gz DHLLNOGYAVWFIM-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658218414 411297654 /nfs/dbraw/zinc/29/76/54/411297654.db2.gz DHLLNOGYAVWFIM-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658218415 411298109 /nfs/dbraw/zinc/29/81/09/411298109.db2.gz DHLLNOGYAVWFIM-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658218416 411297840 /nfs/dbraw/zinc/29/78/40/411297840.db2.gz DHLLNOGYAVWFIM-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCCC1 ZINC000658218523 411297449 /nfs/dbraw/zinc/29/74/49/411297449.db2.gz IXKWAMNGGKUGMD-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCCC1 ZINC000658218526 411297843 /nfs/dbraw/zinc/29/78/43/411297843.db2.gz IXKWAMNGGKUGMD-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCCC1 ZINC000658218528 411297465 /nfs/dbraw/zinc/29/74/65/411297465.db2.gz IXKWAMNGGKUGMD-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCCC1 ZINC000658218530 411298100 /nfs/dbraw/zinc/29/81/00/411298100.db2.gz IXKWAMNGGKUGMD-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218558 411297594 /nfs/dbraw/zinc/29/75/94/411297594.db2.gz JVZFPSNXFIMRMM-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218560 411297978 /nfs/dbraw/zinc/29/79/78/411297978.db2.gz JVZFPSNXFIMRMM-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658218562 411297426 /nfs/dbraw/zinc/29/74/26/411297426.db2.gz JVZFPSNXFIMRMM-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@]1(C)CC1(F)F ZINC000658218563 411297746 /nfs/dbraw/zinc/29/77/46/411297746.db2.gz JVZFPSNXFIMRMM-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCC(C)(C)C2)CC1(F)F ZINC000658218723 411298515 /nfs/dbraw/zinc/29/85/15/411298515.db2.gz FWAMCOAPOCTOSI-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC(C)(C)C2)CC1(F)F ZINC000658218724 411298805 /nfs/dbraw/zinc/29/88/05/411298805.db2.gz FWAMCOAPOCTOSI-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCC(C)(C)C2)CC1(F)F ZINC000658218725 411298762 /nfs/dbraw/zinc/29/87/62/411298762.db2.gz FWAMCOAPOCTOSI-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCC(C)(C)C2)CC1(F)F ZINC000658218726 411298772 /nfs/dbraw/zinc/29/87/72/411298772.db2.gz FWAMCOAPOCTOSI-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCCC2(C)C)CC1(F)F ZINC000658218921 411298550 /nfs/dbraw/zinc/29/85/50/411298550.db2.gz LNEPBZMUHBCAHM-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCCC2(C)C)CC1(F)F ZINC000658218922 411298352 /nfs/dbraw/zinc/29/83/52/411298352.db2.gz LNEPBZMUHBCAHM-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCCC2(C)C)CC1(F)F ZINC000658218923 411298424 /nfs/dbraw/zinc/29/84/24/411298424.db2.gz LNEPBZMUHBCAHM-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCCC2(C)C)CC1(F)F ZINC000658218924 411298427 /nfs/dbraw/zinc/29/84/27/411298427.db2.gz LNEPBZMUHBCAHM-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)[C@@H]1CC1(C)C ZINC000658219015 411298313 /nfs/dbraw/zinc/29/83/13/411298313.db2.gz GSUSNHWDCFUTHB-GMXVVIOVSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)[C@@H]1CC1(C)C ZINC000658219016 411298924 /nfs/dbraw/zinc/29/89/24/411298924.db2.gz GSUSNHWDCFUTHB-GVXVVHGQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)[C@H]1CC1(C)C ZINC000658219017 411298319 /nfs/dbraw/zinc/29/83/19/411298319.db2.gz GSUSNHWDCFUTHB-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)[C@H]1CC1(C)C ZINC000658219018 411298477 /nfs/dbraw/zinc/29/84/77/411298477.db2.gz GSUSNHWDCFUTHB-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219249 411298436 /nfs/dbraw/zinc/29/84/36/411298436.db2.gz AYMSODATWMOJCG-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658219250 411298955 /nfs/dbraw/zinc/29/89/55/411298955.db2.gz AYMSODATWMOJCG-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658219251 411298996 /nfs/dbraw/zinc/29/89/96/411298996.db2.gz AYMSODATWMOJCG-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219252 411298342 /nfs/dbraw/zinc/29/83/42/411298342.db2.gz AYMSODATWMOJCG-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC1(F)F ZINC000658219281 411298886 /nfs/dbraw/zinc/29/88/86/411298886.db2.gz BHLMRSYVHJQYKU-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCCC23CCCC3)CC1(F)F ZINC000658219283 411298682 /nfs/dbraw/zinc/29/86/82/411298682.db2.gz BHLMRSYVHJQYKU-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(C[NH2+][C@H]2CCCC23CCCC3)CC1(F)F ZINC000658219285 411298854 /nfs/dbraw/zinc/29/88/54/411298854.db2.gz BHLMRSYVHJQYKU-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC1(F)F ZINC000658219287 411298937 /nfs/dbraw/zinc/29/89/37/411298937.db2.gz BHLMRSYVHJQYKU-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1(F)F ZINC000658219293 411298676 /nfs/dbraw/zinc/29/86/76/411298676.db2.gz BMDOMEFMDAKOCW-GRYCIOLGSA-N 1 0 249.320 3.540 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1(F)F ZINC000658219295 411298331 /nfs/dbraw/zinc/29/83/31/411298331.db2.gz BMDOMEFMDAKOCW-IJLUTSLNSA-N 1 0 249.320 3.540 20 0 BHADRO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1(F)F ZINC000658219297 411298499 /nfs/dbraw/zinc/29/84/99/411298499.db2.gz BMDOMEFMDAKOCW-QJPTWQEYSA-N 1 0 249.320 3.540 20 0 BHADRO C[C@]1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1(F)F ZINC000658219303 411298776 /nfs/dbraw/zinc/29/87/76/411298776.db2.gz BMDOMEFMDAKOCW-SDDRHHMPSA-N 1 0 249.320 3.540 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219307 411298585 /nfs/dbraw/zinc/29/85/85/411298585.db2.gz NIAAMTVZTBCWEJ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219308 411298596 /nfs/dbraw/zinc/29/85/96/411298596.db2.gz NIAAMTVZTBCWEJ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219309 411298671 /nfs/dbraw/zinc/29/86/71/411298671.db2.gz NIAAMTVZTBCWEJ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219310 411298975 /nfs/dbraw/zinc/29/89/75/411298975.db2.gz NIAAMTVZTBCWEJ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658219455 411298571 /nfs/dbraw/zinc/29/85/71/411298571.db2.gz IMARGMBIEQTYKR-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658219456 411298965 /nfs/dbraw/zinc/29/89/65/411298965.db2.gz IMARGMBIEQTYKR-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658219457 411298866 /nfs/dbraw/zinc/29/88/66/411298866.db2.gz IMARGMBIEQTYKR-XQQFMLRXSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658219458 411298845 /nfs/dbraw/zinc/29/88/45/411298845.db2.gz IMARGMBIEQTYKR-YNEHKIRRSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219609 411299171 /nfs/dbraw/zinc/29/91/71/411299171.db2.gz BZDJQKFNJLDHFE-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219610 411299412 /nfs/dbraw/zinc/29/94/12/411299412.db2.gz BZDJQKFNJLDHFE-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219611 411299685 /nfs/dbraw/zinc/29/96/85/411299685.db2.gz BZDJQKFNJLDHFE-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219612 411299676 /nfs/dbraw/zinc/29/96/76/411299676.db2.gz BZDJQKFNJLDHFE-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219709 411299758 /nfs/dbraw/zinc/29/97/58/411299758.db2.gz OBPNTLWNSHUDIM-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219710 411299319 /nfs/dbraw/zinc/29/93/19/411299319.db2.gz OBPNTLWNSHUDIM-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219711 411299747 /nfs/dbraw/zinc/29/97/47/411299747.db2.gz OBPNTLWNSHUDIM-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658219712 411299146 /nfs/dbraw/zinc/29/91/46/411299146.db2.gz OBPNTLWNSHUDIM-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000658219802 411299515 /nfs/dbraw/zinc/29/95/15/411299515.db2.gz JBEDZPZIDGWUHF-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000658219804 411299384 /nfs/dbraw/zinc/29/93/84/411299384.db2.gz JBEDZPZIDGWUHF-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000658219806 411299735 /nfs/dbraw/zinc/29/97/35/411299735.db2.gz JBEDZPZIDGWUHF-XQHKEYJVSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000658219808 411299624 /nfs/dbraw/zinc/29/96/24/411299624.db2.gz JBEDZPZIDGWUHF-YVECIDJPSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCCC1CCC1 ZINC000658220031 411299596 /nfs/dbraw/zinc/29/95/96/411299596.db2.gz DSIOWPYNLOHRJW-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCCC1CCC1 ZINC000658220032 411299402 /nfs/dbraw/zinc/29/94/02/411299402.db2.gz DSIOWPYNLOHRJW-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658220047 411299251 /nfs/dbraw/zinc/29/92/51/411299251.db2.gz FEFPMQWCUXDSGR-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658220048 411299158 /nfs/dbraw/zinc/29/91/58/411299158.db2.gz FEFPMQWCUXDSGR-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658220049 411299718 /nfs/dbraw/zinc/29/97/18/411299718.db2.gz FEFPMQWCUXDSGR-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658220050 411299598 /nfs/dbraw/zinc/29/95/98/411299598.db2.gz FEFPMQWCUXDSGR-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220424 411300598 /nfs/dbraw/zinc/30/05/98/411300598.db2.gz GXOADBVREJEGJW-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220425 411300546 /nfs/dbraw/zinc/30/05/46/411300546.db2.gz GXOADBVREJEGJW-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220426 411300472 /nfs/dbraw/zinc/30/04/72/411300472.db2.gz GXOADBVREJEGJW-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220427 411300260 /nfs/dbraw/zinc/30/02/60/411300260.db2.gz GXOADBVREJEGJW-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CCOC1CCC([NH2+]CCCC2CCC2)CC1 ZINC000658220448 411300124 /nfs/dbraw/zinc/30/01/24/411300124.db2.gz HBYXTMHVDLWOQJ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCC2CCC2)s1 ZINC000658220461 411300566 /nfs/dbraw/zinc/30/05/66/411300566.db2.gz HIISGGUQZLZWTE-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCC2CCC2)s1 ZINC000658220462 411300385 /nfs/dbraw/zinc/30/03/85/411300385.db2.gz HIISGGUQZLZWTE-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCC1)c1cccc(O)c1 ZINC000658220475 411300524 /nfs/dbraw/zinc/30/05/24/411300524.db2.gz HUUOYBGUNGWTMK-GFCCVEGCSA-N 1 0 233.355 3.623 20 0 BHADRO C[C@H]([NH2+]CCCC1CCC1)c1cccc(O)c1 ZINC000658220476 411300258 /nfs/dbraw/zinc/30/02/58/411300258.db2.gz HUUOYBGUNGWTMK-LBPRGKRZSA-N 1 0 233.355 3.623 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccs1 ZINC000658220584 411300245 /nfs/dbraw/zinc/30/02/45/411300245.db2.gz QGAKOUGHLNZUEO-GXSJLCMTSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccs1 ZINC000658220585 411300183 /nfs/dbraw/zinc/30/01/83/411300183.db2.gz QGAKOUGHLNZUEO-KOLCDFICSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccs1 ZINC000658220587 411300530 /nfs/dbraw/zinc/30/05/30/411300530.db2.gz QGAKOUGHLNZUEO-MWLCHTKSSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccs1 ZINC000658220589 411300262 /nfs/dbraw/zinc/30/02/62/411300262.db2.gz QGAKOUGHLNZUEO-ONGXEEELSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220598 411300640 /nfs/dbraw/zinc/30/06/40/411300640.db2.gz QUCLLDFERXKZJR-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220600 411300195 /nfs/dbraw/zinc/30/01/95/411300195.db2.gz QUCLLDFERXKZJR-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220601 411300550 /nfs/dbraw/zinc/30/05/50/411300550.db2.gz QUCLLDFERXKZJR-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220603 411300502 /nfs/dbraw/zinc/30/05/02/411300502.db2.gz QUCLLDFERXKZJR-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)oc1C ZINC000658220882 411300311 /nfs/dbraw/zinc/30/03/11/411300311.db2.gz JOPVODUXSKIPME-BXKDBHETSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)oc1C ZINC000658220884 411300396 /nfs/dbraw/zinc/30/03/96/411300396.db2.gz JOPVODUXSKIPME-CABZTGNLSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)oc1C ZINC000658220886 411300208 /nfs/dbraw/zinc/30/02/08/411300208.db2.gz JOPVODUXSKIPME-JOYOIKCWSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)oc1C ZINC000658220887 411300367 /nfs/dbraw/zinc/30/03/67/411300367.db2.gz JOPVODUXSKIPME-SKDRFNHKSA-N 1 0 243.297 3.592 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CCCC2CCC2)cn1 ZINC000658220907 411300390 /nfs/dbraw/zinc/30/03/90/411300390.db2.gz JWPONQZDJKVRHC-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CCCC2CCC2)cn1 ZINC000658220909 411300167 /nfs/dbraw/zinc/30/01/67/411300167.db2.gz JWPONQZDJKVRHC-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221119 411300461 /nfs/dbraw/zinc/30/04/61/411300461.db2.gz RPUJDOKCWOJOFF-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221121 411300171 /nfs/dbraw/zinc/30/01/71/411300171.db2.gz RPUJDOKCWOJOFF-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221122 411300344 /nfs/dbraw/zinc/30/03/44/411300344.db2.gz RPUJDOKCWOJOFF-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221124 411300306 /nfs/dbraw/zinc/30/03/06/411300306.db2.gz RPUJDOKCWOJOFF-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221199 411300322 /nfs/dbraw/zinc/30/03/22/411300322.db2.gz MZJXBPJIOFCCMQ-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221200 411300114 /nfs/dbraw/zinc/30/01/14/411300114.db2.gz MZJXBPJIOFCCMQ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221201 411300212 /nfs/dbraw/zinc/30/02/12/411300212.db2.gz MZJXBPJIOFCCMQ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221202 411300201 /nfs/dbraw/zinc/30/02/01/411300201.db2.gz MZJXBPJIOFCCMQ-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221215 411300412 /nfs/dbraw/zinc/30/04/12/411300412.db2.gz NECDZCGSHKOFPU-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221216 411300256 /nfs/dbraw/zinc/30/02/56/411300256.db2.gz NECDZCGSHKOFPU-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221217 411300199 /nfs/dbraw/zinc/30/01/99/411300199.db2.gz NECDZCGSHKOFPU-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221218 411300218 /nfs/dbraw/zinc/30/02/18/411300218.db2.gz NECDZCGSHKOFPU-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO FC(F)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC000658221269 411301189 /nfs/dbraw/zinc/30/11/89/411301189.db2.gz KNWOAZZEXNORTL-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221274 411301047 /nfs/dbraw/zinc/30/10/47/411301047.db2.gz KPYKZNPXJLQISX-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221277 411300967 /nfs/dbraw/zinc/30/09/67/411300967.db2.gz KPYKZNPXJLQISX-QNWHQSFQSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221279 411301233 /nfs/dbraw/zinc/30/12/33/411301233.db2.gz KPYKZNPXJLQISX-RNJOBUHISA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221282 411301067 /nfs/dbraw/zinc/30/10/67/411301067.db2.gz KPYKZNPXJLQISX-UMSGYPCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCC1)c1ccoc1 ZINC000658221320 411301238 /nfs/dbraw/zinc/30/12/38/411301238.db2.gz KVZSQTJXJVEFGJ-LLVKDONJSA-N 1 0 207.317 3.511 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221321 411301318 /nfs/dbraw/zinc/30/13/18/411301318.db2.gz OBIUKEBUGFZBCJ-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]([NH2+]CCCC1CCC1)c1ccoc1 ZINC000658221322 411301108 /nfs/dbraw/zinc/30/11/08/411301108.db2.gz KVZSQTJXJVEFGJ-NSHDSACASA-N 1 0 207.317 3.511 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221323 411301399 /nfs/dbraw/zinc/30/13/99/411301399.db2.gz OBIUKEBUGFZBCJ-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221325 411301158 /nfs/dbraw/zinc/30/11/58/411301158.db2.gz OBIUKEBUGFZBCJ-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@H]([NH2+]CCCC1CCC1)C(C)(C)C(F)F ZINC000658221359 411301043 /nfs/dbraw/zinc/30/10/43/411301043.db2.gz LJDVYRQFKPKHPW-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCC1)C(C)(C)C(F)F ZINC000658221360 411301215 /nfs/dbraw/zinc/30/12/15/411301215.db2.gz LJDVYRQFKPKHPW-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221581 411300538 /nfs/dbraw/zinc/30/05/38/411300538.db2.gz SIHXTUBKDPVNKK-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@]1(C)CC1(F)F ZINC000658221582 411300430 /nfs/dbraw/zinc/30/04/30/411300430.db2.gz SIHXTUBKDPVNKK-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@]1(C)CC1(F)F ZINC000658221583 411300096 /nfs/dbraw/zinc/30/00/96/411300096.db2.gz SIHXTUBKDPVNKK-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221584 411300247 /nfs/dbraw/zinc/30/02/47/411300247.db2.gz SIHXTUBKDPVNKK-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221643 411301306 /nfs/dbraw/zinc/30/13/06/411301306.db2.gz OBIUKEBUGFZBCJ-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221698 411301330 /nfs/dbraw/zinc/30/13/30/411301330.db2.gz UFFZMNRAXKJNBO-AVGNSLFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221700 411301305 /nfs/dbraw/zinc/30/13/05/411301305.db2.gz UFFZMNRAXKJNBO-RWMBFGLXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221702 411301054 /nfs/dbraw/zinc/30/10/54/411301054.db2.gz UFFZMNRAXKJNBO-XQQFMLRXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221704 411300840 /nfs/dbraw/zinc/30/08/40/411300840.db2.gz UFFZMNRAXKJNBO-YNEHKIRRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658221754 411301406 /nfs/dbraw/zinc/30/14/06/411301406.db2.gz PAXAAVNTYGMCMV-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658221755 411301279 /nfs/dbraw/zinc/30/12/79/411301279.db2.gz PAXAAVNTYGMCMV-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658221756 411301422 /nfs/dbraw/zinc/30/14/22/411301422.db2.gz PAXAAVNTYGMCMV-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658221757 411301384 /nfs/dbraw/zinc/30/13/84/411301384.db2.gz PAXAAVNTYGMCMV-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658221817 411301341 /nfs/dbraw/zinc/30/13/41/411301341.db2.gz MBOGITFWGDBXPY-GHMZBOCLSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658221818 411301324 /nfs/dbraw/zinc/30/13/24/411301324.db2.gz MBOGITFWGDBXPY-MNOVXSKESA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658221819 411300798 /nfs/dbraw/zinc/30/07/98/411300798.db2.gz MBOGITFWGDBXPY-QWRGUYRKSA-N 1 0 245.338 3.834 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658221820 411300873 /nfs/dbraw/zinc/30/08/73/411300873.db2.gz MBOGITFWGDBXPY-WDEREUQCSA-N 1 0 245.338 3.834 20 0 BHADRO COC1(C[C@@H](C)[NH2+]CCCC2CCC2)CCC1 ZINC000658221835 411301349 /nfs/dbraw/zinc/30/13/49/411301349.db2.gz MIDXMRCITZPAFF-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[C@H](C)[NH2+]CCCC2CCC2)CCC1 ZINC000658221836 411300791 /nfs/dbraw/zinc/30/07/91/411300791.db2.gz MIDXMRCITZPAFF-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCCC1CCC1 ZINC000658221839 411301018 /nfs/dbraw/zinc/30/10/18/411301018.db2.gz MKXFFUUQUFSYIV-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCCC1CCC1 ZINC000658221840 411301229 /nfs/dbraw/zinc/30/12/29/411301229.db2.gz MKXFFUUQUFSYIV-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCC1 ZINC000658221857 411301382 /nfs/dbraw/zinc/30/13/82/411301382.db2.gz MOXIWMZWGXCLKN-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658221858 411301242 /nfs/dbraw/zinc/30/12/42/411301242.db2.gz MOXIWMZWGXCLKN-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCC1 ZINC000658221859 411301201 /nfs/dbraw/zinc/30/12/01/411301201.db2.gz MOXIWMZWGXCLKN-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658221860 411301309 /nfs/dbraw/zinc/30/13/09/411301309.db2.gz MOXIWMZWGXCLKN-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cs1 ZINC000658221880 411300900 /nfs/dbraw/zinc/30/09/00/411300900.db2.gz NBSUGOAWIIWFSA-GXSJLCMTSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)cs1 ZINC000658221881 411301387 /nfs/dbraw/zinc/30/13/87/411301387.db2.gz NBSUGOAWIIWFSA-KOLCDFICSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cs1 ZINC000658221882 411301393 /nfs/dbraw/zinc/30/13/93/411301393.db2.gz NBSUGOAWIIWFSA-MWLCHTKSSA-N 1 0 245.338 3.752 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)cs1 ZINC000658221883 411301291 /nfs/dbraw/zinc/30/12/91/411301291.db2.gz NBSUGOAWIIWFSA-ONGXEEELSA-N 1 0 245.338 3.752 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221904 411301326 /nfs/dbraw/zinc/30/13/26/411301326.db2.gz FHRPAALHMQZHKZ-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221906 411301369 /nfs/dbraw/zinc/30/13/69/411301369.db2.gz FHRPAALHMQZHKZ-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658221908 411301029 /nfs/dbraw/zinc/30/10/29/411301029.db2.gz FHRPAALHMQZHKZ-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658221910 411300795 /nfs/dbraw/zinc/30/07/95/411300795.db2.gz FHRPAALHMQZHKZ-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222118 411301169 /nfs/dbraw/zinc/30/11/69/411301169.db2.gz VAGPFQCHIIVXNK-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658222119 411301345 /nfs/dbraw/zinc/30/13/45/411301345.db2.gz VAGPFQCHIIVXNK-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658222120 411301322 /nfs/dbraw/zinc/30/13/22/411301322.db2.gz VAGPFQCHIIVXNK-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222121 411301404 /nfs/dbraw/zinc/30/14/04/411301404.db2.gz VAGPFQCHIIVXNK-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC2(C)C)CC1(F)F ZINC000658222284 411301968 /nfs/dbraw/zinc/30/19/68/411301968.db2.gz QLVFAIFXCSXMLB-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC2(C)C)CC1(F)F ZINC000658222285 411302444 /nfs/dbraw/zinc/30/24/44/411302444.db2.gz QLVFAIFXCSXMLB-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC2(C)C)CC1(F)F ZINC000658222286 411301685 /nfs/dbraw/zinc/30/16/85/411301685.db2.gz QLVFAIFXCSXMLB-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCCC2(C)C)CC1(F)F ZINC000658222287 411302059 /nfs/dbraw/zinc/30/20/59/411302059.db2.gz QLVFAIFXCSXMLB-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222402 411301800 /nfs/dbraw/zinc/30/18/00/411301800.db2.gz WKDQNPCNIYSABQ-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC(CCC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658222403 411302285 /nfs/dbraw/zinc/30/22/85/411302285.db2.gz WKDQNPCNIYSABQ-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1 ZINC000658222432 411301697 /nfs/dbraw/zinc/30/16/97/411301697.db2.gz WXNRULJSNRMWIE-DZKIICNBSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1 ZINC000658222433 411301875 /nfs/dbraw/zinc/30/18/75/411301875.db2.gz WXNRULJSNRMWIE-IJEWVQPXSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)cc1 ZINC000658222434 411301692 /nfs/dbraw/zinc/30/16/92/411301692.db2.gz WXNRULJSNRMWIE-OFQRWUPVSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1 ZINC000658222435 411302467 /nfs/dbraw/zinc/30/24/67/411302467.db2.gz WXNRULJSNRMWIE-YCPHGPKFSA-N 1 0 247.382 3.603 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658222686 411302151 /nfs/dbraw/zinc/30/21/51/411302151.db2.gz WQNLZOALFWTUKN-NEPJUHHUSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222688 411301931 /nfs/dbraw/zinc/30/19/31/411301931.db2.gz WQNLZOALFWTUKN-NWDGAFQWSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658222689 411301886 /nfs/dbraw/zinc/30/18/86/411301886.db2.gz WQNLZOALFWTUKN-RYUDHWBXSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222691 411302422 /nfs/dbraw/zinc/30/24/22/411302422.db2.gz WQNLZOALFWTUKN-VXGBXAGGSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222805 411302304 /nfs/dbraw/zinc/30/23/04/411302304.db2.gz RSYMEKVEKSBBSV-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222807 411302092 /nfs/dbraw/zinc/30/20/92/411302092.db2.gz RSYMEKVEKSBBSV-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222809 411302383 /nfs/dbraw/zinc/30/23/83/411302383.db2.gz RSYMEKVEKSBBSV-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222810 411301866 /nfs/dbraw/zinc/30/18/66/411301866.db2.gz RSYMEKVEKSBBSV-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c(C)o1 ZINC000658222963 411301779 /nfs/dbraw/zinc/30/17/79/411301779.db2.gz XEMQWOJXDYUVHP-BXKDBHETSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c(C)o1 ZINC000658222964 411302318 /nfs/dbraw/zinc/30/23/18/411302318.db2.gz XEMQWOJXDYUVHP-CABZTGNLSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c(C)o1 ZINC000658222965 411301755 /nfs/dbraw/zinc/30/17/55/411301755.db2.gz XEMQWOJXDYUVHP-JOYOIKCWSA-N 1 0 243.297 3.592 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c(C)o1 ZINC000658222966 411301904 /nfs/dbraw/zinc/30/19/04/411301904.db2.gz XEMQWOJXDYUVHP-SKDRFNHKSA-N 1 0 243.297 3.592 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222971 411302042 /nfs/dbraw/zinc/30/20/42/411302042.db2.gz XHGZBDMKKNJEHI-FDYHWXHSSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222972 411301798 /nfs/dbraw/zinc/30/17/98/411301798.db2.gz XHGZBDMKKNJEHI-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658222973 411301983 /nfs/dbraw/zinc/30/19/83/411301983.db2.gz XHGZBDMKKNJEHI-LPWJVIDDSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658222974 411301840 /nfs/dbraw/zinc/30/18/40/411301840.db2.gz XHGZBDMKKNJEHI-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)o1 ZINC000658223077 411301977 /nfs/dbraw/zinc/30/19/77/411301977.db2.gz IPBKKTIDNMQOJI-CMPLNLGQSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)o1 ZINC000658223080 411301956 /nfs/dbraw/zinc/30/19/56/411301956.db2.gz IPBKKTIDNMQOJI-JQWIXIFHSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)o1 ZINC000658223083 411302006 /nfs/dbraw/zinc/30/20/06/411302006.db2.gz IPBKKTIDNMQOJI-PWSUYJOCSA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)o1 ZINC000658223086 411302440 /nfs/dbraw/zinc/30/24/40/411302440.db2.gz IPBKKTIDNMQOJI-ZYHUDNBSSA-N 1 0 243.297 3.674 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658223110 411301920 /nfs/dbraw/zinc/30/19/20/411301920.db2.gz SOKQOALSZYMTBI-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCC1 ZINC000658223113 411302425 /nfs/dbraw/zinc/30/24/25/411302425.db2.gz SOKQOALSZYMTBI-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658223116 411301994 /nfs/dbraw/zinc/30/19/94/411301994.db2.gz SOKQOALSZYMTBI-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCC1 ZINC000658223120 411302268 /nfs/dbraw/zinc/30/22/68/411302268.db2.gz SOKQOALSZYMTBI-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCCC2(C)C)CC1(F)F ZINC000658223122 411302475 /nfs/dbraw/zinc/30/24/75/411302475.db2.gz SOTGPPZESCSHOE-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCCCC2(C)C)CC1(F)F ZINC000658223125 411302197 /nfs/dbraw/zinc/30/21/97/411302197.db2.gz SOTGPPZESCSHOE-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCCC2(C)C)CC1(F)F ZINC000658223129 411301765 /nfs/dbraw/zinc/30/17/65/411301765.db2.gz SOTGPPZESCSHOE-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCCC2(C)C)CC1(F)F ZINC000658223132 411302327 /nfs/dbraw/zinc/30/23/27/411302327.db2.gz SOTGPPZESCSHOE-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCCCC1 ZINC000658223441 411303171 /nfs/dbraw/zinc/30/31/71/411303171.db2.gz ZKPUEIJDKOUJQH-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCCCC1 ZINC000658223442 411302693 /nfs/dbraw/zinc/30/26/93/411302693.db2.gz ZKPUEIJDKOUJQH-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCCCC1 ZINC000658223443 411302671 /nfs/dbraw/zinc/30/26/71/411302671.db2.gz ZKPUEIJDKOUJQH-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCCCC1 ZINC000658223444 411303017 /nfs/dbraw/zinc/30/30/17/411303017.db2.gz ZKPUEIJDKOUJQH-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223497 411302657 /nfs/dbraw/zinc/30/26/57/411302657.db2.gz UGKBGKMUOSBQSJ-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223499 411303269 /nfs/dbraw/zinc/30/32/69/411303269.db2.gz UGKBGKMUOSBQSJ-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223500 411302784 /nfs/dbraw/zinc/30/27/84/411302784.db2.gz UGKBGKMUOSBQSJ-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223502 411303134 /nfs/dbraw/zinc/30/31/34/411303134.db2.gz UGKBGKMUOSBQSJ-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCC23CCCC3)CC1(F)F ZINC000658223537 411302643 /nfs/dbraw/zinc/30/26/43/411302643.db2.gz UJVMLAKMBPQRGR-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCC23CCCC3)CC1(F)F ZINC000658223539 411302825 /nfs/dbraw/zinc/30/28/25/411302825.db2.gz UJVMLAKMBPQRGR-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC23CCCC3)CC1(F)F ZINC000658223541 411302989 /nfs/dbraw/zinc/30/29/89/411302989.db2.gz UJVMLAKMBPQRGR-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCC23CCCC3)CC1(F)F ZINC000658223542 411302757 /nfs/dbraw/zinc/30/27/57/411302757.db2.gz UJVMLAKMBPQRGR-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658223596 411302969 /nfs/dbraw/zinc/30/29/69/411302969.db2.gz UUXRTILYUCMWSQ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658223598 411303227 /nfs/dbraw/zinc/30/32/27/411303227.db2.gz UUXRTILYUCMWSQ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658223600 411303251 /nfs/dbraw/zinc/30/32/51/411303251.db2.gz UUXRTILYUCMWSQ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658223602 411302726 /nfs/dbraw/zinc/30/27/26/411302726.db2.gz UUXRTILYUCMWSQ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658223648 411302743 /nfs/dbraw/zinc/30/27/43/411302743.db2.gz LGWNTTZHJSDIIU-GXSJLCMTSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658223649 411303070 /nfs/dbraw/zinc/30/30/70/411303070.db2.gz LGWNTTZHJSDIIU-KOLCDFICSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658223650 411303037 /nfs/dbraw/zinc/30/30/37/411303037.db2.gz LGWNTTZHJSDIIU-MWLCHTKSSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658223651 411302703 /nfs/dbraw/zinc/30/27/03/411302703.db2.gz LGWNTTZHJSDIIU-ONGXEEELSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1(F)F ZINC000658223723 411302669 /nfs/dbraw/zinc/30/26/69/411302669.db2.gz PUPUALHRUDIVFD-CHWSQXEVSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1(F)F ZINC000658223724 411303175 /nfs/dbraw/zinc/30/31/75/411303175.db2.gz PUPUALHRUDIVFD-OLZOCXBDSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC1(F)F ZINC000658223725 411302776 /nfs/dbraw/zinc/30/27/76/411302776.db2.gz PUPUALHRUDIVFD-QWHCGFSZSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC1(F)F ZINC000658223726 411302702 /nfs/dbraw/zinc/30/27/02/411302702.db2.gz PUPUALHRUDIVFD-STQMWFEESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000658223731 411303273 /nfs/dbraw/zinc/30/32/73/411303273.db2.gz PXZXVIVZCWBIRE-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000658223732 411303159 /nfs/dbraw/zinc/30/31/59/411303159.db2.gz PXZXVIVZCWBIRE-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000658223733 411302647 /nfs/dbraw/zinc/30/26/47/411302647.db2.gz PXZXVIVZCWBIRE-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCCC[C@H]1C ZINC000658223734 411302939 /nfs/dbraw/zinc/30/29/39/411302939.db2.gz PXZXVIVZCWBIRE-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]CCCC1CCC1 ZINC000658224054 411302840 /nfs/dbraw/zinc/30/28/40/411302840.db2.gz ROJANVIUNFLESU-HNNXBMFYSA-N 1 0 244.382 3.629 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]CCCC1CCC1 ZINC000658224055 411302920 /nfs/dbraw/zinc/30/29/20/411302920.db2.gz ROJANVIUNFLESU-OAHLLOKOSA-N 1 0 244.382 3.629 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H]1C ZINC000658224103 411302733 /nfs/dbraw/zinc/30/27/33/411302733.db2.gz WIZPHVSVEJBUDO-FVCCEPFGSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H]1C ZINC000658224104 411302664 /nfs/dbraw/zinc/30/26/64/411302664.db2.gz WIZPHVSVEJBUDO-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@@H]1C ZINC000658224105 411303264 /nfs/dbraw/zinc/30/32/64/411303264.db2.gz WIZPHVSVEJBUDO-NDBYEHHHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@H]1C ZINC000658224106 411303229 /nfs/dbraw/zinc/30/32/29/411303229.db2.gz WIZPHVSVEJBUDO-VOAKCMCISA-N 1 0 245.357 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224127 411302807 /nfs/dbraw/zinc/30/28/07/411302807.db2.gz WRTBRPNODWGACT-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224128 411303267 /nfs/dbraw/zinc/30/32/67/411303267.db2.gz WRTBRPNODWGACT-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224129 411302803 /nfs/dbraw/zinc/30/28/03/411302803.db2.gz WRTBRPNODWGACT-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224130 411303102 /nfs/dbraw/zinc/30/31/02/411303102.db2.gz WRTBRPNODWGACT-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC23CCC3)CC1(F)F ZINC000658224139 411302750 /nfs/dbraw/zinc/30/27/50/411302750.db2.gz WVDMDEIJIHNOQC-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC23CCC3)CC1(F)F ZINC000658224140 411303094 /nfs/dbraw/zinc/30/30/94/411303094.db2.gz WVDMDEIJIHNOQC-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC23CCC3)CC1(F)F ZINC000658224141 411303219 /nfs/dbraw/zinc/30/32/19/411303219.db2.gz WVDMDEIJIHNOQC-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCCC23CCC3)CC1(F)F ZINC000658224142 411302994 /nfs/dbraw/zinc/30/29/94/411302994.db2.gz WVDMDEIJIHNOQC-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccs1 ZINC000658224190 411303700 /nfs/dbraw/zinc/30/37/00/411303700.db2.gz OABRQGBQCZCVBB-GXSJLCMTSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccs1 ZINC000658224191 411303748 /nfs/dbraw/zinc/30/37/48/411303748.db2.gz OABRQGBQCZCVBB-KOLCDFICSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccs1 ZINC000658224192 411303725 /nfs/dbraw/zinc/30/37/25/411303725.db2.gz OABRQGBQCZCVBB-MWLCHTKSSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccs1 ZINC000658224193 411303916 /nfs/dbraw/zinc/30/39/16/411303916.db2.gz OABRQGBQCZCVBB-ONGXEEELSA-N 1 0 245.338 3.834 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCCC2CCC2)c1 ZINC000658224306 411303757 /nfs/dbraw/zinc/30/37/57/411303757.db2.gz SGNKTCSCFQQNMN-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCCC2CCC2)c1 ZINC000658224307 411303818 /nfs/dbraw/zinc/30/38/18/411303818.db2.gz SGNKTCSCFQQNMN-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224438 411302976 /nfs/dbraw/zinc/30/29/76/411302976.db2.gz XBIGBWORMSQJJS-LOWDOPEQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224439 411303074 /nfs/dbraw/zinc/30/30/74/411303074.db2.gz XBIGBWORMSQJJS-MROQNXINSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224441 411303884 /nfs/dbraw/zinc/30/38/84/411303884.db2.gz XBIGBWORMSQJJS-NQBHXWOUSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224443 411303439 /nfs/dbraw/zinc/30/34/39/411303439.db2.gz XBIGBWORMSQJJS-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1(F)F ZINC000658224551 411303794 /nfs/dbraw/zinc/30/37/94/411303794.db2.gz XZAUSLJTPZPQMG-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1(F)F ZINC000658224552 411303584 /nfs/dbraw/zinc/30/35/84/411303584.db2.gz XZAUSLJTPZPQMG-AVGNSLFASA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1(F)F ZINC000658224553 411303548 /nfs/dbraw/zinc/30/35/48/411303548.db2.gz XZAUSLJTPZPQMG-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1(F)F ZINC000658224554 411303866 /nfs/dbraw/zinc/30/38/66/411303866.db2.gz XZAUSLJTPZPQMG-XQQFMLRXSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)[C@H]([NH2+]CCCC1CCC1)c1cccnc1 ZINC000658224608 411303817 /nfs/dbraw/zinc/30/38/17/411303817.db2.gz UEXRUAFAGALBES-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCC1CCC1)c1cccnc1 ZINC000658224610 411303787 /nfs/dbraw/zinc/30/37/87/411303787.db2.gz UEXRUAFAGALBES-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC2CCC2)c(C)n1 ZINC000658224722 411303686 /nfs/dbraw/zinc/30/36/86/411303686.db2.gz VEBRCWOPBVAPAQ-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC2CCC2)c(C)n1 ZINC000658224724 411303791 /nfs/dbraw/zinc/30/37/91/411303791.db2.gz VEBRCWOPBVAPAQ-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCCC1CCC1 ZINC000658224733 411303751 /nfs/dbraw/zinc/30/37/51/411303751.db2.gz VKDPQRACXUZLQP-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCCC1CCC1 ZINC000658224735 411303542 /nfs/dbraw/zinc/30/35/42/411303542.db2.gz VKDPQRACXUZLQP-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CC1(C)C ZINC000658224740 411303848 /nfs/dbraw/zinc/30/38/48/411303848.db2.gz VOGCBEUSPFBOMN-GMXVVIOVSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CC1(C)C ZINC000658224742 411303594 /nfs/dbraw/zinc/30/35/94/411303594.db2.gz VOGCBEUSPFBOMN-GVXVVHGQSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CC1(C)C ZINC000658224744 411303838 /nfs/dbraw/zinc/30/38/38/411303838.db2.gz VOGCBEUSPFBOMN-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CC1(C)C ZINC000658224746 411303429 /nfs/dbraw/zinc/30/34/29/411303429.db2.gz VOGCBEUSPFBOMN-NTZNESFSSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224838 411303722 /nfs/dbraw/zinc/30/37/22/411303722.db2.gz YEKPWGGMILTCSS-AGIUHOORSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224840 411303784 /nfs/dbraw/zinc/30/37/84/411303784.db2.gz YEKPWGGMILTCSS-FRRDWIJNSA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224841 411303739 /nfs/dbraw/zinc/30/37/39/411303739.db2.gz YEKPWGGMILTCSS-JHJVBQTASA-N 1 0 245.357 3.980 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224842 411303715 /nfs/dbraw/zinc/30/37/15/411303715.db2.gz YEKPWGGMILTCSS-UPJWGTAASA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCC1 ZINC000658224855 411303703 /nfs/dbraw/zinc/30/37/03/411303703.db2.gz YPCGGLZEPSGAFF-CHWSQXEVSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658224857 411303578 /nfs/dbraw/zinc/30/35/78/411303578.db2.gz YPCGGLZEPSGAFF-OLZOCXBDSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CCC1 ZINC000658224858 411303713 /nfs/dbraw/zinc/30/37/13/411303713.db2.gz YPCGGLZEPSGAFF-QWHCGFSZSA-N 1 0 245.357 3.980 20 0 BHADRO CCC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CCC1 ZINC000658224860 411303868 /nfs/dbraw/zinc/30/38/68/411303868.db2.gz YPCGGLZEPSGAFF-STQMWFEESA-N 1 0 245.357 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224929 411303781 /nfs/dbraw/zinc/30/37/81/411303781.db2.gz ZHHNPRSRNWMEGI-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224930 411303782 /nfs/dbraw/zinc/30/37/82/411303782.db2.gz ZHHNPRSRNWMEGI-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224931 411303554 /nfs/dbraw/zinc/30/35/54/411303554.db2.gz ZHHNPRSRNWMEGI-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224932 411303763 /nfs/dbraw/zinc/30/37/63/411303763.db2.gz ZHHNPRSRNWMEGI-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658225000 411303573 /nfs/dbraw/zinc/30/35/73/411303573.db2.gz WJWWRWVZHROFKP-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658225001 411303476 /nfs/dbraw/zinc/30/34/76/411303476.db2.gz WJWWRWVZHROFKP-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658225002 411303605 /nfs/dbraw/zinc/30/36/05/411303605.db2.gz WJWWRWVZHROFKP-TUAOUCFPSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658225003 411303973 /nfs/dbraw/zinc/30/39/73/411303973.db2.gz WJWWRWVZHROFKP-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@]1(C[NH2+]C(C2CCC2)C2CCC2)CC1(F)F ZINC000658225038 411303863 /nfs/dbraw/zinc/30/38/63/411303863.db2.gz WTXSMUKLTHHKBK-CYBMUJFWSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@]1(C[NH2+]C(C2CCC2)C2CCC2)CC1(F)F ZINC000658225040 411303766 /nfs/dbraw/zinc/30/37/66/411303766.db2.gz WTXSMUKLTHHKBK-ZDUSSCGKSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658225044 411303753 /nfs/dbraw/zinc/30/37/53/411303753.db2.gz XEJCZRIWEABTML-NEPJUHHUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658225046 411303597 /nfs/dbraw/zinc/30/35/97/411303597.db2.gz XEJCZRIWEABTML-NWDGAFQWSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CCCC1 ZINC000658225047 411303795 /nfs/dbraw/zinc/30/37/95/411303795.db2.gz XEJCZRIWEABTML-RYUDHWBXSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CCCC1 ZINC000658225048 411303701 /nfs/dbraw/zinc/30/37/01/411303701.db2.gz XEJCZRIWEABTML-VXGBXAGGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCC1)C1CCSCC1 ZINC000658225092 411303944 /nfs/dbraw/zinc/30/39/44/411303944.db2.gz XMIGUSNIDFICPZ-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO C[C@H]([NH2+]CCCC1CCC1)C1CCSCC1 ZINC000658225097 411303773 /nfs/dbraw/zinc/30/37/73/411303773.db2.gz XMIGUSNIDFICPZ-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCC1)c1ccncc1 ZINC000658225104 411303718 /nfs/dbraw/zinc/30/37/18/411303718.db2.gz XQQJIVRYDZUQAN-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCC1)c1ccncc1 ZINC000658225106 411303537 /nfs/dbraw/zinc/30/35/37/411303537.db2.gz XQQJIVRYDZUQAN-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000658225312 411303629 /nfs/dbraw/zinc/30/36/29/411303629.db2.gz XXMGFBKEZGGPNA-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000658225313 411303778 /nfs/dbraw/zinc/30/37/78/411303778.db2.gz XXMGFBKEZGGPNA-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000658225315 411303797 /nfs/dbraw/zinc/30/37/97/411303797.db2.gz XXMGFBKEZGGPNA-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000658225317 411303783 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QARLJBCKIDOCPR-WBMJQRKESA-N 1 0 247.382 3.843 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(C)nc1C)C1CC1 ZINC000658235464 411305412 /nfs/dbraw/zinc/30/54/12/411305412.db2.gz QPKQZMNKDOAYQE-DOMZBBRYSA-N 1 0 232.371 3.538 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)nc1C)C1CC1 ZINC000658235466 411305359 /nfs/dbraw/zinc/30/53/59/411305359.db2.gz QPKQZMNKDOAYQE-IUODEOHRSA-N 1 0 232.371 3.538 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)nc1C)C1CC1 ZINC000658235467 411305372 /nfs/dbraw/zinc/30/53/72/411305372.db2.gz QPKQZMNKDOAYQE-SWLSCSKDSA-N 1 0 232.371 3.538 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)nc1C)C1CC1 ZINC000658235469 411306231 /nfs/dbraw/zinc/30/62/31/411306231.db2.gz QPKQZMNKDOAYQE-WFASDCNBSA-N 1 0 232.371 3.538 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccncc1Cl)C1CC1 ZINC000658235918 411306185 /nfs/dbraw/zinc/30/61/85/411306185.db2.gz SSAQUNVZEXHKDQ-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccncc1Cl)C1CC1 ZINC000658235920 411306266 /nfs/dbraw/zinc/30/62/66/411306266.db2.gz SSAQUNVZEXHKDQ-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)C1CC1 ZINC000658235921 411306172 /nfs/dbraw/zinc/30/61/72/411306172.db2.gz SSAQUNVZEXHKDQ-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccncc1Cl)C1CC1 ZINC000658235922 411306050 /nfs/dbraw/zinc/30/60/50/411306050.db2.gz SSAQUNVZEXHKDQ-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1sccc1OC)C1CC1 ZINC000658236187 411306248 /nfs/dbraw/zinc/30/62/48/411306248.db2.gz UMJWVOCSXRTPJG-GXSJLCMTSA-N 1 0 239.384 3.596 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1sccc1OC)C1CC1 ZINC000658236189 411305983 /nfs/dbraw/zinc/30/59/83/411305983.db2.gz UMJWVOCSXRTPJG-KOLCDFICSA-N 1 0 239.384 3.596 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1sccc1OC)C1CC1 ZINC000658236191 411306178 /nfs/dbraw/zinc/30/61/78/411306178.db2.gz UMJWVOCSXRTPJG-MWLCHTKSSA-N 1 0 239.384 3.596 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1sccc1OC)C1CC1 ZINC000658236193 411306257 /nfs/dbraw/zinc/30/62/57/411306257.db2.gz UMJWVOCSXRTPJG-ONGXEEELSA-N 1 0 239.384 3.596 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C1CC1 ZINC000658236405 411306040 /nfs/dbraw/zinc/30/60/40/411306040.db2.gz VKVHXASIYXCOSF-GWCFXTLKSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C1CC1 ZINC000658236406 411306156 /nfs/dbraw/zinc/30/61/56/411306156.db2.gz VKVHXASIYXCOSF-GXFFZTMASA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cc2cnccc2o1)C1CC1 ZINC000658236407 411305986 /nfs/dbraw/zinc/30/59/86/411305986.db2.gz VKVHXASIYXCOSF-MFKMUULPSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)C1CC1 ZINC000658236408 411305921 /nfs/dbraw/zinc/30/59/21/411305921.db2.gz VKVHXASIYXCOSF-ZWNOBZJWSA-N 1 0 244.338 3.667 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](CC)C2CC2)o1 ZINC000658236463 411305325 /nfs/dbraw/zinc/30/53/25/411305325.db2.gz WFCOIRSTGCQHMC-GWCFXTLKSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](CC)C2CC2)o1 ZINC000658236464 411305475 /nfs/dbraw/zinc/30/54/75/411305475.db2.gz WFCOIRSTGCQHMC-GXFFZTMASA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)C2CC2)o1 ZINC000658236465 411305193 /nfs/dbraw/zinc/30/51/93/411305193.db2.gz WFCOIRSTGCQHMC-MFKMUULPSA-N 1 0 221.344 3.681 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](CC)C2CC2)o1 ZINC000658236466 411305217 /nfs/dbraw/zinc/30/52/17/411305217.db2.gz WFCOIRSTGCQHMC-ZWNOBZJWSA-N 1 0 221.344 3.681 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC000658236720 411305902 /nfs/dbraw/zinc/30/59/02/411305902.db2.gz AVRICWUSVPMOOS-AXAPSJFSSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(O)cc32)C1 ZINC000658236721 411306252 /nfs/dbraw/zinc/30/62/52/411306252.db2.gz AVRICWUSVPMOOS-FFSVYQOJSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(O)cc32)C1 ZINC000658236722 411305925 /nfs/dbraw/zinc/30/59/25/411305925.db2.gz AVRICWUSVPMOOS-KFNAQCHYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC000658236723 411306119 /nfs/dbraw/zinc/30/61/19/411306119.db2.gz AVRICWUSVPMOOS-PVXIVEMSSA-N 1 0 245.366 3.548 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1ccsc1)C1CC1 ZINC000658237125 411305994 /nfs/dbraw/zinc/30/59/94/411305994.db2.gz YYSDDEOXIDDUNB-BXUZGUMPSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1ccsc1)C1CC1 ZINC000658237126 411305947 /nfs/dbraw/zinc/30/59/47/411305947.db2.gz YYSDDEOXIDDUNB-FZMZJTMJSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1ccsc1)C1CC1 ZINC000658237127 411306022 /nfs/dbraw/zinc/30/60/22/411306022.db2.gz YYSDDEOXIDDUNB-RISCZKNCSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C1CC1 ZINC000658237128 411306278 /nfs/dbraw/zinc/30/62/78/411306278.db2.gz YYSDDEOXIDDUNB-SMDDNHRTSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)C1CC1 ZINC000658237370 411306489 /nfs/dbraw/zinc/30/64/89/411306489.db2.gz ZOGQGZPDGIFCQF-BDJLRTHQSA-N 1 0 245.366 3.556 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)C1CC1 ZINC000658237372 411306480 /nfs/dbraw/zinc/30/64/80/411306480.db2.gz ZOGQGZPDGIFCQF-BZNIZROVSA-N 1 0 245.366 3.556 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C1CC1 ZINC000658237374 411306426 /nfs/dbraw/zinc/30/64/26/411306426.db2.gz ZOGQGZPDGIFCQF-MEDUHNTESA-N 1 0 245.366 3.556 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C1CC1 ZINC000658237376 411306437 /nfs/dbraw/zinc/30/64/37/411306437.db2.gz ZOGQGZPDGIFCQF-ZBEGNZNMSA-N 1 0 245.366 3.556 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237436 411306223 /nfs/dbraw/zinc/30/62/23/411306223.db2.gz MGUAQLZEYUWATF-DOMZBBRYSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237437 411305981 /nfs/dbraw/zinc/30/59/81/411305981.db2.gz MGUAQLZEYUWATF-IUODEOHRSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237439 411306274 /nfs/dbraw/zinc/30/62/74/411306274.db2.gz MGUAQLZEYUWATF-SWLSCSKDSA-N 1 0 233.355 3.548 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237440 411306474 /nfs/dbraw/zinc/30/64/74/411306474.db2.gz MGUAQLZEYUWATF-WFASDCNBSA-N 1 0 233.355 3.548 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238020 411307069 /nfs/dbraw/zinc/30/70/69/411307069.db2.gz PIDJMZIFHSZWJV-BDJLRTHQSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238021 411306929 /nfs/dbraw/zinc/30/69/29/411306929.db2.gz PIDJMZIFHSZWJV-BZNIZROVSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238022 411306950 /nfs/dbraw/zinc/30/69/50/411306950.db2.gz PIDJMZIFHSZWJV-MEDUHNTESA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238023 411307002 /nfs/dbraw/zinc/30/70/02/411307002.db2.gz PIDJMZIFHSZWJV-ZBEGNZNMSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)C1CCCC1 ZINC000658238207 411306954 /nfs/dbraw/zinc/30/69/54/411306954.db2.gz IRXFHBHDTKRNII-BDJLRTHQSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)C1CCCC1 ZINC000658238208 411307006 /nfs/dbraw/zinc/30/70/06/411307006.db2.gz IRXFHBHDTKRNII-BZNIZROVSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)C1CCCC1 ZINC000658238210 411307022 /nfs/dbraw/zinc/30/70/22/411307022.db2.gz IRXFHBHDTKRNII-MEDUHNTESA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)C1CCCC1 ZINC000658238212 411307021 /nfs/dbraw/zinc/30/70/21/411307021.db2.gz IRXFHBHDTKRNII-ZBEGNZNMSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238656 411307659 /nfs/dbraw/zinc/30/76/59/411307659.db2.gz RQDYPMLDYLAZOY-BDJLRTHQSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238657 411307675 /nfs/dbraw/zinc/30/76/75/411307675.db2.gz RQDYPMLDYLAZOY-BZNIZROVSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238658 411307705 /nfs/dbraw/zinc/30/77/05/411307705.db2.gz RQDYPMLDYLAZOY-MEDUHNTESA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238659 411307694 /nfs/dbraw/zinc/30/76/94/411307694.db2.gz RQDYPMLDYLAZOY-ZBEGNZNMSA-N 1 0 245.366 3.548 20 0 BHADRO CC1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658240765 411309564 /nfs/dbraw/zinc/30/95/64/411309564.db2.gz RRIQALYTRBUIGQ-IJGSQOGDSA-N 1 0 245.366 3.548 20 0 BHADRO CC1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658240766 411309025 /nfs/dbraw/zinc/30/90/25/411309025.db2.gz RRIQALYTRBUIGQ-TZDAIYRESA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658241788 411308084 /nfs/dbraw/zinc/30/80/84/411308084.db2.gz VLGUEMGATNGKDG-HFBAOOFYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658241790 411308153 /nfs/dbraw/zinc/30/81/53/411308153.db2.gz VLGUEMGATNGKDG-LYRGGWFBSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658241793 411308315 /nfs/dbraw/zinc/30/83/15/411308315.db2.gz VLGUEMGATNGKDG-RLCCDNCMSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658241795 411308270 /nfs/dbraw/zinc/30/82/70/411308270.db2.gz VLGUEMGATNGKDG-XFBWCDHKSA-N 1 0 245.366 3.548 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658242256 411309068 /nfs/dbraw/zinc/30/90/68/411309068.db2.gz YPCHPLWKLQMZQQ-ABAIWWIYSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658242257 411309380 /nfs/dbraw/zinc/30/93/80/411309380.db2.gz YPCHPLWKLQMZQQ-IAQYHMDHSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658242258 411309224 /nfs/dbraw/zinc/30/92/24/411309224.db2.gz YPCHPLWKLQMZQQ-NHYWBVRUSA-N 1 0 233.355 3.548 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658242259 411309217 /nfs/dbraw/zinc/30/92/17/411309217.db2.gz YPCHPLWKLQMZQQ-XHDPSFHLSA-N 1 0 233.355 3.548 20 0 BHADRO Oc1ccc2c(c1)[C@@H]([NH2+]C1CCCCCC1)CC2 ZINC000658242526 411309258 /nfs/dbraw/zinc/30/92/58/411309258.db2.gz ZTFVOZBWEJYFAQ-INIZCTEOSA-N 1 0 245.366 3.692 20 0 BHADRO Oc1ccc2c(c1)[C@H]([NH2+]C1CCCCCC1)CC2 ZINC000658242528 411309512 /nfs/dbraw/zinc/30/95/12/411309512.db2.gz ZTFVOZBWEJYFAQ-MRXNPFEDSA-N 1 0 245.366 3.692 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658256318 411316978 /nfs/dbraw/zinc/31/69/78/411316978.db2.gz YCVAPWPBZDGUDL-AVGNSLFASA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658256319 411317287 /nfs/dbraw/zinc/31/72/87/411317287.db2.gz YCVAPWPBZDGUDL-RWMBFGLXSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658256320 411317142 /nfs/dbraw/zinc/31/71/42/411317142.db2.gz YCVAPWPBZDGUDL-XQQFMLRXSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658256321 411317115 /nfs/dbraw/zinc/31/71/15/411317115.db2.gz YCVAPWPBZDGUDL-YNEHKIRRSA-N 1 0 239.403 3.501 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000658262602 411317775 /nfs/dbraw/zinc/31/77/75/411317775.db2.gz CIQCENWYNSJCPR-BZUAXINKSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CCCC23CC3)cc1 ZINC000658262604 411317995 /nfs/dbraw/zinc/31/79/95/411317995.db2.gz CIQCENWYNSJCPR-OAGGEKHMSA-N 1 0 241.378 3.855 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263440 411318812 /nfs/dbraw/zinc/31/88/12/411318812.db2.gz IYZYGGIXNUGOGI-DMRZNYOFSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263441 411318712 /nfs/dbraw/zinc/31/87/12/411318712.db2.gz IYZYGGIXNUGOGI-DRPJVOAASA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263442 411319076 /nfs/dbraw/zinc/31/90/76/411319076.db2.gz IYZYGGIXNUGOGI-DTZQCDIJSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263443 411319117 /nfs/dbraw/zinc/31/91/17/411319117.db2.gz IYZYGGIXNUGOGI-LCGIIJARSA-N 1 0 229.367 3.711 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+]C(C2CC2)C2CC2)cc1 ZINC000658263696 411319013 /nfs/dbraw/zinc/31/90/13/411319013.db2.gz KWWLGMDDSYSCNE-HZPDHXFCSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000658263734 411318933 /nfs/dbraw/zinc/31/89/33/411318933.db2.gz LSZPNEPACVFQFP-JZAWBGDQSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000658263735 411319089 /nfs/dbraw/zinc/31/90/89/411319089.db2.gz LSZPNEPACVFQFP-MZBWOGCUSA-N 1 0 241.378 3.711 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263736 411319106 /nfs/dbraw/zinc/31/91/06/411319106.db2.gz LUKBFIDONUYINV-KFWWJZLASA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263737 411318809 /nfs/dbraw/zinc/31/88/09/411318809.db2.gz LUKBFIDONUYINV-RBSFLKMASA-N 1 0 229.367 3.711 20 0 BHADRO CCC(CC)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658263795 411319108 /nfs/dbraw/zinc/31/91/08/411319108.db2.gz CFCHMZIZAAFBDX-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C(C)C ZINC000658263814 411318824 /nfs/dbraw/zinc/31/88/24/411318824.db2.gz CVCSYELXYLLOPW-CPCZMJQVSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C(C)C ZINC000658263815 411318670 /nfs/dbraw/zinc/31/86/70/411318670.db2.gz CVCSYELXYLLOPW-OTTFEQOBSA-N 1 0 245.357 3.979 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000658263895 411318663 /nfs/dbraw/zinc/31/86/63/411318663.db2.gz MWTIECSCKYCRLP-BZUAXINKSA-N 1 0 241.378 3.855 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000658263896 411318747 /nfs/dbraw/zinc/31/87/47/411318747.db2.gz MWTIECSCKYCRLP-OAGGEKHMSA-N 1 0 241.378 3.855 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000658263945 411319008 /nfs/dbraw/zinc/31/90/08/411319008.db2.gz NUVDJXCYFYWGIR-HUUCEWRRSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658263953 411318751 /nfs/dbraw/zinc/31/87/51/411318751.db2.gz ASJJUIZCOFCCHK-AKJDGMEZSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658263955 411318674 /nfs/dbraw/zinc/31/86/74/411318674.db2.gz ASJJUIZCOFCCHK-QWKFWESOSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]1C ZINC000658264005 411318879 /nfs/dbraw/zinc/31/88/79/411318879.db2.gz BTEXVVQSJZFSLV-BFCCFQBASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]1C ZINC000658264007 411319075 /nfs/dbraw/zinc/31/90/75/411319075.db2.gz BTEXVVQSJZFSLV-IJLVLRJLSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]1C ZINC000658264009 411318588 /nfs/dbraw/zinc/31/85/88/411318588.db2.gz BTEXVVQSJZFSLV-LLDQHTGMSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]1C ZINC000658264011 411318952 /nfs/dbraw/zinc/31/89/52/411318952.db2.gz BTEXVVQSJZFSLV-SRMYXAEUSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000658264765 411319099 /nfs/dbraw/zinc/31/90/99/411319099.db2.gz MJVVSMAQASMUBJ-APHBMKBZSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000658264766 411319045 /nfs/dbraw/zinc/31/90/45/411319045.db2.gz MJVVSMAQASMUBJ-DAXOMENPSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CCC1 ZINC000658264901 411318851 /nfs/dbraw/zinc/31/88/51/411318851.db2.gz NDPIWAYVCSNVCL-PKSQDBQZSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CCC1 ZINC000658264902 411319070 /nfs/dbraw/zinc/31/90/70/411319070.db2.gz NDPIWAYVCSNVCL-QFWMXSHPSA-N 1 0 243.341 3.733 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658264976 411318905 /nfs/dbraw/zinc/31/89/05/411318905.db2.gz PEJGGXCYLZGAIO-BPLDGKMQSA-N 1 0 217.356 3.711 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658264987 411318959 /nfs/dbraw/zinc/31/89/59/411318959.db2.gz PIGYJPLASCDXQJ-UNXYVOJBSA-N 1 0 231.330 3.733 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658264989 411318772 /nfs/dbraw/zinc/31/87/72/411318772.db2.gz PIGYJPLASCDXQJ-VOMCLLRMSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CC1 ZINC000658265004 411318821 /nfs/dbraw/zinc/31/88/21/411318821.db2.gz VMOKGVKHHZMQIP-BZUAXINKSA-N 1 0 229.367 3.711 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CC1 ZINC000658265005 411318577 /nfs/dbraw/zinc/31/85/77/411318577.db2.gz VMOKGVKHHZMQIP-OWCLPIDISA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C(C)(C)C ZINC000658265160 411318826 /nfs/dbraw/zinc/31/88/26/411318826.db2.gz LLVBPEFQEZFUFS-XSRFYTQQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C(C)(C)C ZINC000658265161 411318616 /nfs/dbraw/zinc/31/86/16/411318616.db2.gz LLVBPEFQEZFUFS-ZBOXLXRLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CCC1 ZINC000658265262 411318997 /nfs/dbraw/zinc/31/89/97/411318997.db2.gz RCQYQTZIGNVPNW-APHBMKBZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CCC1 ZINC000658265263 411318732 /nfs/dbraw/zinc/31/87/32/411318732.db2.gz RCQYQTZIGNVPNW-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1ccco1 ZINC000658265274 411319092 /nfs/dbraw/zinc/31/90/92/411319092.db2.gz RFQGLIZOTJLOEE-BPLDGKMQSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1ccco1 ZINC000658265275 411318916 /nfs/dbraw/zinc/31/89/16/411318916.db2.gz RFQGLIZOTJLOEE-NWANDNLSSA-N 1 0 241.334 3.876 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H]1C ZINC000658265355 411318827 /nfs/dbraw/zinc/31/88/27/411318827.db2.gz YLLDTIJAWFAIKZ-CCECPURYSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H]1C ZINC000658265358 411319029 /nfs/dbraw/zinc/31/90/29/411319029.db2.gz YLLDTIJAWFAIKZ-IPQWEPCOSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H]1C ZINC000658265359 411319147 /nfs/dbraw/zinc/31/91/47/411319147.db2.gz YLLDTIJAWFAIKZ-JLHFOLKXSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H]1C ZINC000658265361 411319063 /nfs/dbraw/zinc/31/90/63/411319063.db2.gz YLLDTIJAWFAIKZ-UDUPFKKZSA-N 1 0 229.367 3.567 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265757 411318977 /nfs/dbraw/zinc/31/89/77/411318977.db2.gz PARQCCLOQBXZMS-CQLXCSJHSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265758 411319005 /nfs/dbraw/zinc/31/90/05/411319005.db2.gz PARQCCLOQBXZMS-GMKTYKIGSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265759 411319071 /nfs/dbraw/zinc/31/90/71/411319071.db2.gz PARQCCLOQBXZMS-IGJPJIBNSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265760 411318593 /nfs/dbraw/zinc/31/85/93/411318593.db2.gz PARQCCLOQBXZMS-QCXCNERSSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265820 411318833 /nfs/dbraw/zinc/31/88/33/411318833.db2.gz UTEMZVUKZOELKX-IALDZJHCSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265821 411318940 /nfs/dbraw/zinc/31/89/40/411318940.db2.gz UTEMZVUKZOELKX-OKZRHMCRSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265822 411318911 /nfs/dbraw/zinc/31/89/11/411318911.db2.gz UTEMZVUKZOELKX-ZFDZMSFRSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265823 411319091 /nfs/dbraw/zinc/31/90/91/411319091.db2.gz UTEMZVUKZOELKX-ZSVAQUKISA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265930 411318820 /nfs/dbraw/zinc/31/88/20/411318820.db2.gz WNLNFIUGHFIXSB-UNXYVOJBSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265932 411319003 /nfs/dbraw/zinc/31/90/03/411319003.db2.gz WNLNFIUGHFIXSB-VOMCLLRMSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658266119 411318853 /nfs/dbraw/zinc/31/88/53/411318853.db2.gz WZUHIJKPMZLNLY-BPLDGKMQSA-N 1 0 217.356 3.567 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658266349 411318612 /nfs/dbraw/zinc/31/86/12/411318612.db2.gz ZUXULAOSSGJMPQ-APHBMKBZSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658266350 411319049 /nfs/dbraw/zinc/31/90/49/411319049.db2.gz ZUXULAOSSGJMPQ-DAXOMENPSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)CC([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000658266403 411318607 /nfs/dbraw/zinc/31/86/07/411318607.db2.gz VEMIRGWBCGZXCW-UHFFFAOYSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658266555 411318798 /nfs/dbraw/zinc/31/87/98/411318798.db2.gz VZJONYJQYOFFMG-PKSQDBQZSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658266556 411318993 /nfs/dbraw/zinc/31/89/93/411318993.db2.gz VZJONYJQYOFFMG-QFWMXSHPSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CC1 ZINC000658266721 411318892 /nfs/dbraw/zinc/31/88/92/411318892.db2.gz YPGZULDJNNAAIZ-CPCZMJQVSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CC1 ZINC000658266724 411318913 /nfs/dbraw/zinc/31/89/13/411318913.db2.gz YPGZULDJNNAAIZ-OTTFEQOBSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C)[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1(F)F ZINC000658280026 411319544 /nfs/dbraw/zinc/31/95/44/411319544.db2.gz CVOIKOSENLJBHQ-GHMZBOCLSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1(F)F ZINC000658280027 411319678 /nfs/dbraw/zinc/31/96/78/411319678.db2.gz CVOIKOSENLJBHQ-MNOVXSKESA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+][C@H]2CCCC23CCC3)C1(F)F ZINC000658280028 411320598 /nfs/dbraw/zinc/32/05/98/411320598.db2.gz CVOIKOSENLJBHQ-QWRGUYRKSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1(F)F ZINC000658280029 411320175 /nfs/dbraw/zinc/32/01/75/411320175.db2.gz CVOIKOSENLJBHQ-WDEREUQCSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280672 411320338 /nfs/dbraw/zinc/32/03/38/411320338.db2.gz KFGTVWLSTQKPSK-GMTAPVOTSA-N 1 0 245.357 3.692 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280673 411320700 /nfs/dbraw/zinc/32/07/00/411320700.db2.gz KFGTVWLSTQKPSK-MXWKQRLJSA-N 1 0 245.357 3.692 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280674 411320658 /nfs/dbraw/zinc/32/06/58/411320658.db2.gz KFGTVWLSTQKPSK-OUAUKWLOSA-N 1 0 245.357 3.692 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280675 411320662 /nfs/dbraw/zinc/32/06/62/411320662.db2.gz KFGTVWLSTQKPSK-VWYCJHECSA-N 1 0 245.357 3.692 20 0 BHADRO CC1(C)[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1(F)F ZINC000658281596 411320495 /nfs/dbraw/zinc/32/04/95/411320495.db2.gz QORJJPMAJLGDRX-GHMZBOCLSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1(F)F ZINC000658281598 411320669 /nfs/dbraw/zinc/32/06/69/411320669.db2.gz QORJJPMAJLGDRX-MNOVXSKESA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+][C@H]2CCC23CCCC3)C1(F)F ZINC000658281600 411320679 /nfs/dbraw/zinc/32/06/79/411320679.db2.gz QORJJPMAJLGDRX-QWRGUYRKSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1(F)F ZINC000658281602 411320204 /nfs/dbraw/zinc/32/02/04/411320204.db2.gz QORJJPMAJLGDRX-WDEREUQCSA-N 1 0 243.341 3.590 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)o1 ZINC000658281693 411320780 /nfs/dbraw/zinc/32/07/80/411320780.db2.gz BILMGFYMDWKJAC-GXSJLCMTSA-N 1 0 243.297 3.530 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)o1 ZINC000658281694 411320241 /nfs/dbraw/zinc/32/02/41/411320241.db2.gz BILMGFYMDWKJAC-KOLCDFICSA-N 1 0 243.297 3.530 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)o1 ZINC000658281696 411320573 /nfs/dbraw/zinc/32/05/73/411320573.db2.gz BILMGFYMDWKJAC-MWLCHTKSSA-N 1 0 243.297 3.530 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)o1 ZINC000658281698 411320733 /nfs/dbraw/zinc/32/07/33/411320733.db2.gz BILMGFYMDWKJAC-ONGXEEELSA-N 1 0 243.297 3.530 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658282388 411321117 /nfs/dbraw/zinc/32/11/17/411321117.db2.gz GQOFUPJVDAJULZ-GHMZBOCLSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658282390 411321639 /nfs/dbraw/zinc/32/16/39/411321639.db2.gz GQOFUPJVDAJULZ-MNOVXSKESA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658282392 411321840 /nfs/dbraw/zinc/32/18/40/411321840.db2.gz GQOFUPJVDAJULZ-QWRGUYRKSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658282395 411321083 /nfs/dbraw/zinc/32/10/83/411321083.db2.gz GQOFUPJVDAJULZ-WDEREUQCSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658283139 411321578 /nfs/dbraw/zinc/32/15/78/411321578.db2.gz YHIPXVXGWALZFL-NXEZZACHSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658283142 411321524 /nfs/dbraw/zinc/32/15/24/411321524.db2.gz YHIPXVXGWALZFL-UWVGGRQHSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658283145 411321529 /nfs/dbraw/zinc/32/15/29/411321529.db2.gz YHIPXVXGWALZFL-VHSXEESVSA-N 1 0 233.346 3.692 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658283148 411321492 /nfs/dbraw/zinc/32/14/92/411321492.db2.gz YHIPXVXGWALZFL-ZJUUUORDSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccs1 ZINC000658283751 411321386 /nfs/dbraw/zinc/32/13/86/411321386.db2.gz MRGYSDXLGBXLNI-PSASIEDQSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccs1 ZINC000658283754 411321018 /nfs/dbraw/zinc/32/10/18/411321018.db2.gz MRGYSDXLGBXLNI-SCZZXKLOSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccs1 ZINC000658283756 411321826 /nfs/dbraw/zinc/32/18/26/411321826.db2.gz MRGYSDXLGBXLNI-WCBMZHEXSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccs1 ZINC000658283760 411321272 /nfs/dbraw/zinc/32/12/72/411321272.db2.gz MRGYSDXLGBXLNI-WPRPVWTQSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284209 411322387 /nfs/dbraw/zinc/32/23/87/411322387.db2.gz OUGBQWHVZGPEEA-PSASIEDQSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284211 411323051 /nfs/dbraw/zinc/32/30/51/411323051.db2.gz OUGBQWHVZGPEEA-SCZZXKLOSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284213 411323238 /nfs/dbraw/zinc/32/32/38/411323238.db2.gz OUGBQWHVZGPEEA-WCBMZHEXSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284215 411323090 /nfs/dbraw/zinc/32/30/90/411323090.db2.gz OUGBQWHVZGPEEA-WPRPVWTQSA-N 1 0 245.338 3.690 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1 ZINC000658284363 411322405 /nfs/dbraw/zinc/32/24/05/411322405.db2.gz QJNDFSQIYIRGQB-CMPLNLGQSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1 ZINC000658284366 411323161 /nfs/dbraw/zinc/32/31/61/411323161.db2.gz QJNDFSQIYIRGQB-JQWIXIFHSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1 ZINC000658284369 411322846 /nfs/dbraw/zinc/32/28/46/411322846.db2.gz QJNDFSQIYIRGQB-PWSUYJOCSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1 ZINC000658284370 411323016 /nfs/dbraw/zinc/32/30/16/411323016.db2.gz QJNDFSQIYIRGQB-ZYHUDNBSSA-N 1 0 239.309 3.629 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCC(F)CC1 ZINC000658288139 487577650 /nfs/dbraw/zinc/57/76/50/487577650.db2.gz AAJNAFPFTDXQMV-LQSDDFGISA-N 1 0 227.367 3.537 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCC(F)CC1 ZINC000658288141 487577589 /nfs/dbraw/zinc/57/75/89/487577589.db2.gz AAJNAFPFTDXQMV-OXPXWGEWSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCC(F)CC1 ZINC000658288142 487578043 /nfs/dbraw/zinc/57/80/43/487578043.db2.gz AAJNAFPFTDXQMV-VQAXNMFYSA-N 1 0 227.367 3.537 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CCC(F)CC1 ZINC000658288143 487577697 /nfs/dbraw/zinc/57/76/97/487577697.db2.gz AAJNAFPFTDXQMV-ZSMPWGRJSA-N 1 0 227.367 3.537 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658288506 487577740 /nfs/dbraw/zinc/57/77/40/487577740.db2.gz CYQLJIONZUWSRS-AYZDXNEBSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658288507 487577848 /nfs/dbraw/zinc/57/78/48/487577848.db2.gz CYQLJIONZUWSRS-GMZKHCIJSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658288508 487577508 /nfs/dbraw/zinc/57/75/08/487577508.db2.gz CYQLJIONZUWSRS-KPHYFBGPSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658288509 487577594 /nfs/dbraw/zinc/57/75/94/487577594.db2.gz CYQLJIONZUWSRS-OESUJAFSSA-N 1 0 227.367 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000658288953 487578731 /nfs/dbraw/zinc/57/87/31/487578731.db2.gz TVZFRZAKRHHQPP-BPUTZDHNSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000658288954 487579337 /nfs/dbraw/zinc/57/93/37/487579337.db2.gz TVZFRZAKRHHQPP-CWRNSKLLSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000658288955 487579248 /nfs/dbraw/zinc/57/92/48/487579248.db2.gz TVZFRZAKRHHQPP-IMJJTQAJSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000658288956 487578893 /nfs/dbraw/zinc/57/88/93/487578893.db2.gz TVZFRZAKRHHQPP-NUEKZKHPSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCC2)C1CCC(F)CC1 ZINC000658289897 487578912 /nfs/dbraw/zinc/57/89/12/487578912.db2.gz VLMCQZXQFAQUOQ-ABXWRUBCSA-N 1 0 239.378 3.826 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)C1CCC(F)CC1 ZINC000658289899 487579126 /nfs/dbraw/zinc/57/91/26/487579126.db2.gz VLMCQZXQFAQUOQ-BLYZHGLHSA-N 1 0 239.378 3.826 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCC2)C1CCC(F)CC1 ZINC000658289900 487578792 /nfs/dbraw/zinc/57/87/92/487578792.db2.gz VLMCQZXQFAQUOQ-GFJIZPEISA-N 1 0 239.378 3.826 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCC2)C1CCC(F)CC1 ZINC000658289901 487579255 /nfs/dbraw/zinc/57/92/55/487579255.db2.gz VLMCQZXQFAQUOQ-RYSNWHEDSA-N 1 0 239.378 3.826 20 0 BHADRO CCC[C@H]([NH2+]CC1=CCCC1)c1ccccn1 ZINC000658290454 487579062 /nfs/dbraw/zinc/57/90/62/487579062.db2.gz ABUKRPBIHMNFBA-AWEZNQCLSA-N 1 0 230.355 3.623 20 0 BHADRO CCC[C@@H]([NH2+]CC1=CCCC1)c1ccccn1 ZINC000658290455 487579309 /nfs/dbraw/zinc/57/93/09/487579309.db2.gz ABUKRPBIHMNFBA-CQSZACIVSA-N 1 0 230.355 3.623 20 0 BHADRO Fc1ccc(C2CC([NH2+]CC3=CCCC3)C2)cc1 ZINC000658290502 487579133 /nfs/dbraw/zinc/57/91/33/487579133.db2.gz BAFRJXNQZPARNE-UHFFFAOYSA-N 1 0 245.341 3.772 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000658290510 487579044 /nfs/dbraw/zinc/57/90/44/487579044.db2.gz BFGBGWSKZYCWHH-KBPBESRZSA-N 1 0 225.351 3.605 20 0 BHADRO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000658290513 487579091 /nfs/dbraw/zinc/57/90/91/487579091.db2.gz BFGBGWSKZYCWHH-KGLIPLIRSA-N 1 0 225.351 3.605 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCC1 ZINC000658290517 487579436 /nfs/dbraw/zinc/57/94/36/487579436.db2.gz BFGBGWSKZYCWHH-UONOGXRCSA-N 1 0 225.351 3.605 20 0 BHADRO FCCC[C@H]1CCC[C@H]1[NH2+]CC1=CCCC1 ZINC000658290518 487578856 /nfs/dbraw/zinc/57/88/56/487578856.db2.gz BFGBGWSKZYCWHH-ZIAGYGMSSA-N 1 0 225.351 3.605 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2=CCCC2)oc1C ZINC000658290555 487579282 /nfs/dbraw/zinc/57/92/82/487579282.db2.gz BYFMHTFIRRCJKN-LLVKDONJSA-N 1 0 219.328 3.657 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2=CCCC2)oc1C ZINC000658290559 487578868 /nfs/dbraw/zinc/57/88/68/487578868.db2.gz BYFMHTFIRRCJKN-NSHDSACASA-N 1 0 219.328 3.657 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cc2cnccc2o1 ZINC000658290613 487579173 /nfs/dbraw/zinc/57/91/73/487579173.db2.gz CMPSTKRMJKFLAO-LLVKDONJSA-N 1 0 242.322 3.589 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cc2cnccc2o1 ZINC000658290616 487578880 /nfs/dbraw/zinc/57/88/80/487578880.db2.gz CMPSTKRMJKFLAO-NSHDSACASA-N 1 0 242.322 3.589 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC2=CCCC2)c(C)s1 ZINC000658290724 487580546 /nfs/dbraw/zinc/58/05/46/487580546.db2.gz DKGLKQAUGVYPHJ-SECBINFHSA-N 1 0 236.384 3.521 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC2=CCCC2)c(C)s1 ZINC000658290728 487579919 /nfs/dbraw/zinc/57/99/19/487579919.db2.gz DKGLKQAUGVYPHJ-VIFPVBQESA-N 1 0 236.384 3.521 20 0 BHADRO FC(F)C1CCC([NH2+]CC2=CCCC2)CC1 ZINC000658290739 411324599 /nfs/dbraw/zinc/32/45/99/411324599.db2.gz DVGKPBYXDQPLDL-UHFFFAOYSA-N 1 0 229.314 3.510 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2=CCCC2)cs1 ZINC000658290814 411324338 /nfs/dbraw/zinc/32/43/38/411324338.db2.gz GGBPYONRJRWKHZ-LLVKDONJSA-N 1 0 221.369 3.817 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2=CCCC2)cs1 ZINC000658290821 411324629 /nfs/dbraw/zinc/32/46/29/411324629.db2.gz GGBPYONRJRWKHZ-NSHDSACASA-N 1 0 221.369 3.817 20 0 BHADRO C1=C(C[NH2+][C@H]2CCCNc3ccccc32)CCC1 ZINC000658290858 411325008 /nfs/dbraw/zinc/32/50/08/411325008.db2.gz HAWPHPDIODHJEQ-INIZCTEOSA-N 1 0 242.366 3.633 20 0 BHADRO C1=C(C[NH2+][C@@H]2CCCNc3ccccc32)CCC1 ZINC000658290860 411324999 /nfs/dbraw/zinc/32/49/99/411324999.db2.gz HAWPHPDIODHJEQ-MRXNPFEDSA-N 1 0 242.366 3.633 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000658290862 411324991 /nfs/dbraw/zinc/32/49/91/411324991.db2.gz HCLLBAWWLROHSY-JTQLQIEISA-N 1 0 235.293 3.807 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000658290865 411324809 /nfs/dbraw/zinc/32/48/09/411324809.db2.gz HCLLBAWWLROHSY-SNVBAGLBSA-N 1 0 235.293 3.807 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658291025 411324815 /nfs/dbraw/zinc/32/48/15/411324815.db2.gz JATVVYGIYNIQLO-FPMFFAJLSA-N 1 0 247.407 3.940 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658291032 411324477 /nfs/dbraw/zinc/32/44/77/411324477.db2.gz JATVVYGIYNIQLO-KWCYVHTRSA-N 1 0 247.407 3.940 20 0 BHADRO CC(C)[C@H]([NH2+]CC1=CCCC1)c1ccc(F)cn1 ZINC000658291058 411324533 /nfs/dbraw/zinc/32/45/33/411324533.db2.gz KTNKEHCCEUMDDC-HNNXBMFYSA-N 1 0 248.345 3.618 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1=CCCC1)c1ccc(F)cn1 ZINC000658291060 411324435 /nfs/dbraw/zinc/32/44/35/411324435.db2.gz KTNKEHCCEUMDDC-OAHLLOKOSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@@H]([NH2+]CC1=CCCC1)c1ccsc1 ZINC000658291173 411325102 /nfs/dbraw/zinc/32/51/02/411325102.db2.gz MCQFLJSHRCDAJE-CYBMUJFWSA-N 1 0 221.369 3.899 20 0 BHADRO CC[C@H]([NH2+]CC1=CCCC1)c1ccsc1 ZINC000658291176 411325025 /nfs/dbraw/zinc/32/50/25/411325025.db2.gz MCQFLJSHRCDAJE-ZDUSSCGKSA-N 1 0 221.369 3.899 20 0 BHADRO Fc1cccc(C2CC([NH2+]CC3=CCCC3)C2)c1 ZINC000658291209 411325031 /nfs/dbraw/zinc/32/50/31/411325031.db2.gz MUZIBOYBSHAQKE-UHFFFAOYSA-N 1 0 245.341 3.772 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1ccccc1N(C)C ZINC000658291401 411324700 /nfs/dbraw/zinc/32/47/00/411324700.db2.gz OMUBQHSOMZPMCH-CYBMUJFWSA-N 1 0 244.382 3.514 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1ccccc1N(C)C ZINC000658291403 411325121 /nfs/dbraw/zinc/32/51/21/411325121.db2.gz OMUBQHSOMZPMCH-ZDUSSCGKSA-N 1 0 244.382 3.514 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CC2=CCCC2)cnn1C(C)C ZINC000658291453 411324674 /nfs/dbraw/zinc/32/46/74/411324674.db2.gz PIEOSRGNKLVLRR-GFCCVEGCSA-N 1 0 247.386 3.533 20 0 BHADRO Cc1c([C@H](C)[NH2+]CC2=CCCC2)cnn1C(C)C ZINC000658291454 411325018 /nfs/dbraw/zinc/32/50/18/411325018.db2.gz PIEOSRGNKLVLRR-LBPRGKRZSA-N 1 0 247.386 3.533 20 0 BHADRO C1=C(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC1 ZINC000658291469 411324403 /nfs/dbraw/zinc/32/44/03/411324403.db2.gz QKJYPTAXDQJWIM-INIZCTEOSA-N 1 0 242.366 3.623 20 0 BHADRO C1=C(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC1 ZINC000658291471 411324973 /nfs/dbraw/zinc/32/49/73/411324973.db2.gz QKJYPTAXDQJWIM-MRXNPFEDSA-N 1 0 242.366 3.623 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1=CCCC1)c1ccncc1 ZINC000658291477 411324655 /nfs/dbraw/zinc/32/46/55/411324655.db2.gz QTGUTKQRAOSTMO-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1=CCCC1)c1ccncc1 ZINC000658291479 411324826 /nfs/dbraw/zinc/32/48/26/411324826.db2.gz QTGUTKQRAOSTMO-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+]CC1=CCCC1 ZINC000658291480 411324290 /nfs/dbraw/zinc/32/42/90/411324290.db2.gz QWKCHLRDXVFCPB-JTQLQIEISA-N 1 0 237.368 3.518 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+]CC1=CCCC1 ZINC000658291481 411324710 /nfs/dbraw/zinc/32/47/10/411324710.db2.gz QWKCHLRDXVFCPB-SNVBAGLBSA-N 1 0 237.368 3.518 20 0 BHADRO CCC[C@H]([NH2+]CC1=CCCC1)c1cccnc1 ZINC000658291776 411324663 /nfs/dbraw/zinc/32/46/63/411324663.db2.gz TUCYVMOWVCBZFO-HNNXBMFYSA-N 1 0 230.355 3.623 20 0 BHADRO CCC[C@@H]([NH2+]CC1=CCCC1)c1cccnc1 ZINC000658291777 411324493 /nfs/dbraw/zinc/32/44/93/411324493.db2.gz TUCYVMOWVCBZFO-OAHLLOKOSA-N 1 0 230.355 3.623 20 0 BHADRO Fc1ccccc1C1CC([NH2+]CC2=CCCC2)C1 ZINC000658291824 411324800 /nfs/dbraw/zinc/32/48/00/411324800.db2.gz VBQRWNDOTBHPAL-UHFFFAOYSA-N 1 0 245.341 3.772 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658291877 411324389 /nfs/dbraw/zinc/32/43/89/411324389.db2.gz VVZVKHFORFMHSK-COXVUDFISA-N 1 0 241.378 3.879 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658291879 411324330 /nfs/dbraw/zinc/32/43/30/411324330.db2.gz VVZVKHFORFMHSK-JQFCIGGWSA-N 1 0 241.378 3.879 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2=CCCC2)c(C)c1 ZINC000658291928 411325153 /nfs/dbraw/zinc/32/51/53/411325153.db2.gz XBWZEDGZDBYMBZ-CYBMUJFWSA-N 1 0 245.366 3.765 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2=CCCC2)c(C)c1 ZINC000658291929 411325161 /nfs/dbraw/zinc/32/51/61/411325161.db2.gz XBWZEDGZDBYMBZ-ZDUSSCGKSA-N 1 0 245.366 3.765 20 0 BHADRO C[C@H](CCc1ccsc1)[NH2+]CC1=CCCC1 ZINC000658291943 411324915 /nfs/dbraw/zinc/32/49/15/411324915.db2.gz XFJXQOGPAFPUCH-GFCCVEGCSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@@H](CCc1ccsc1)[NH2+]CC1=CCCC1 ZINC000658291945 411324347 /nfs/dbraw/zinc/32/43/47/411324347.db2.gz XFJXQOGPAFPUCH-LBPRGKRZSA-N 1 0 235.396 3.769 20 0 BHADRO C1=C(C[NH2+]C2CC(c3ccccc3)C2)CCC1 ZINC000658292079 411324892 /nfs/dbraw/zinc/32/48/92/411324892.db2.gz ZDKLIQFWYRKKJO-UHFFFAOYSA-N 1 0 227.351 3.633 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658292574 411325715 /nfs/dbraw/zinc/32/57/15/411325715.db2.gz FGELMUKLDMSJIA-IALDZJHCSA-N 1 0 215.356 3.537 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658292575 411325818 /nfs/dbraw/zinc/32/58/18/411325818.db2.gz FGELMUKLDMSJIA-OKZRHMCRSA-N 1 0 215.356 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658292576 411325795 /nfs/dbraw/zinc/32/57/95/411325795.db2.gz FGELMUKLDMSJIA-ZFDZMSFRSA-N 1 0 215.356 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658292577 411325892 /nfs/dbraw/zinc/32/58/92/411325892.db2.gz FGELMUKLDMSJIA-ZSVAQUKISA-N 1 0 215.356 3.537 20 0 BHADRO C1=C(C[NH2+][C@H]2CCSc3ccccc32)CCC1 ZINC000658292605 411325527 /nfs/dbraw/zinc/32/55/27/411325527.db2.gz ABWUCOIRKQOXNE-AWEZNQCLSA-N 1 0 245.391 3.923 20 0 BHADRO C1=C(C[NH2+][C@@H]2CCSc3ccccc32)CCC1 ZINC000658292606 411325917 /nfs/dbraw/zinc/32/59/17/411325917.db2.gz ABWUCOIRKQOXNE-CQSZACIVSA-N 1 0 245.391 3.923 20 0 BHADRO Fc1cccc2c1CC[C@@H]2[NH2+]CC1=CCCC1 ZINC000658292628 411325947 /nfs/dbraw/zinc/32/59/47/411325947.db2.gz BPLKGCHSJPTWAW-HNNXBMFYSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1cccc2c1CC[C@H]2[NH2+]CC1=CCCC1 ZINC000658292629 411326126 /nfs/dbraw/zinc/32/61/26/411326126.db2.gz BPLKGCHSJPTWAW-OAHLLOKOSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CCCC1 ZINC000658292630 411325454 /nfs/dbraw/zinc/32/54/54/411325454.db2.gz BRULYTGYPXOCGU-HNNXBMFYSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CCCC1 ZINC000658292631 411325603 /nfs/dbraw/zinc/32/56/03/411325603.db2.gz BRULYTGYPXOCGU-OAHLLOKOSA-N 1 0 231.314 3.513 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]CC1=CCCC1 ZINC000658292671 411325492 /nfs/dbraw/zinc/32/54/92/411325492.db2.gz HEOUJPQUPPTZGI-CYBMUJFWSA-N 1 0 235.396 3.769 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]CC1=CCCC1 ZINC000658292672 411326138 /nfs/dbraw/zinc/32/61/38/411326138.db2.gz HEOUJPQUPPTZGI-ZDUSSCGKSA-N 1 0 235.396 3.769 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1cc(F)cc(F)c1 ZINC000658292679 411326041 /nfs/dbraw/zinc/32/60/41/411326041.db2.gz KHJIXAKWALHSLN-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1cc(F)cc(F)c1 ZINC000658292680 411325872 /nfs/dbraw/zinc/32/58/72/411325872.db2.gz KHJIXAKWALHSLN-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CC1=CCCC1)CC2 ZINC000658292682 411325517 /nfs/dbraw/zinc/32/55/17/411325517.db2.gz KXVUZARKKJLNGW-HNNXBMFYSA-N 1 0 231.314 3.513 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CC1=CCCC1)CC2 ZINC000658292683 411325857 /nfs/dbraw/zinc/32/58/57/411325857.db2.gz KXVUZARKKJLNGW-OAHLLOKOSA-N 1 0 231.314 3.513 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CC2=CCCC2)o1 ZINC000658292684 411325352 /nfs/dbraw/zinc/32/53/52/411325352.db2.gz LBZHMATVNQUPSI-LLVKDONJSA-N 1 0 219.328 3.603 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CC2=CCCC2)o1 ZINC000658292685 411325377 /nfs/dbraw/zinc/32/53/77/411325377.db2.gz LBZHMATVNQUPSI-NSHDSACASA-N 1 0 219.328 3.603 20 0 BHADRO Cc1nc2c(s1)[C@H]([NH2+]CC1=CCCC1)CCC2 ZINC000658292695 411325695 /nfs/dbraw/zinc/32/56/95/411325695.db2.gz LQUAJRFROAGVHF-GFCCVEGCSA-N 1 0 248.395 3.529 20 0 BHADRO Cc1nc2c(s1)[C@@H]([NH2+]CC1=CCCC1)CCC2 ZINC000658292696 411325790 /nfs/dbraw/zinc/32/57/90/411325790.db2.gz LQUAJRFROAGVHF-LBPRGKRZSA-N 1 0 248.395 3.529 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658292810 411326088 /nfs/dbraw/zinc/32/60/88/411326088.db2.gz GNPJVPFEKIRJGM-IALDZJHCSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658292811 411326034 /nfs/dbraw/zinc/32/60/34/411326034.db2.gz GNPJVPFEKIRJGM-OKZRHMCRSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658292813 411325934 /nfs/dbraw/zinc/32/59/34/411325934.db2.gz GNPJVPFEKIRJGM-ZFDZMSFRSA-N 1 0 215.356 3.681 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658292815 411325997 /nfs/dbraw/zinc/32/59/97/411325997.db2.gz GNPJVPFEKIRJGM-ZSVAQUKISA-N 1 0 215.356 3.681 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CC1 ZINC000658292908 411326228 /nfs/dbraw/zinc/32/62/28/411326228.db2.gz HNETWRIMIZKKNE-PSPOIRCVSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CC1 ZINC000658292910 411325385 /nfs/dbraw/zinc/32/53/85/411325385.db2.gz HNETWRIMIZKKNE-PYULLRNSSA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC(F)CC1)C1CC1 ZINC000658292912 411326009 /nfs/dbraw/zinc/32/60/09/411326009.db2.gz HNETWRIMIZKKNE-UZRPSVAASA-N 1 0 227.367 3.681 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C1CC1 ZINC000658292914 411325863 /nfs/dbraw/zinc/32/58/63/411325863.db2.gz HNETWRIMIZKKNE-XXIIAIFYSA-N 1 0 227.367 3.681 20 0 BHADRO C1=C(C[NH2+][C@H]2CCCOc3ccccc32)CCC1 ZINC000658292932 411325371 /nfs/dbraw/zinc/32/53/71/411325371.db2.gz PXWFDMLRFMEYHW-HNNXBMFYSA-N 1 0 243.350 3.600 20 0 BHADRO C1=C(C[NH2+][C@@H]2CCCOc3ccccc32)CCC1 ZINC000658292934 411325648 /nfs/dbraw/zinc/32/56/48/411325648.db2.gz PXWFDMLRFMEYHW-OAHLLOKOSA-N 1 0 243.350 3.600 20 0 BHADRO COc1ccc([C@@H](C)[NH2+]CC2=CCCC2)c(F)c1 ZINC000658292969 411325363 /nfs/dbraw/zinc/32/53/63/411325363.db2.gz SQROEVCWLQHSQU-LLVKDONJSA-N 1 0 249.329 3.595 20 0 BHADRO COc1ccc([C@H](C)[NH2+]CC2=CCCC2)c(F)c1 ZINC000658292970 411325851 /nfs/dbraw/zinc/32/58/51/411325851.db2.gz SQROEVCWLQHSQU-NSHDSACASA-N 1 0 249.329 3.595 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CC1=CCCC1 ZINC000658293010 411325594 /nfs/dbraw/zinc/32/55/94/411325594.db2.gz XGJPOMNWWVZECL-LLVKDONJSA-N 1 0 221.369 3.817 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CC1=CCCC1 ZINC000658293011 411325665 /nfs/dbraw/zinc/32/56/65/411325665.db2.gz XGJPOMNWWVZECL-NSHDSACASA-N 1 0 221.369 3.817 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)C1CCC(F)CC1 ZINC000658293044 411325479 /nfs/dbraw/zinc/32/54/79/411325479.db2.gz IHWVZHYUIMLCLK-UNXYVOJBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)C1CCC(F)CC1 ZINC000658293045 411325644 /nfs/dbraw/zinc/32/56/44/411325644.db2.gz IHWVZHYUIMLCLK-VOMCLLRMSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658293186 411324351 /nfs/dbraw/zinc/32/43/51/411324351.db2.gz KCUWYMKFRQNMDF-BCVKRFQSSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658293187 411324327 /nfs/dbraw/zinc/32/43/27/411324327.db2.gz KCUWYMKFRQNMDF-IENTYSSBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658293188 411324795 /nfs/dbraw/zinc/32/47/95/411324795.db2.gz KCUWYMKFRQNMDF-UJLSLHKQSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)C1CCC(F)CC1 ZINC000658293189 411325083 /nfs/dbraw/zinc/32/50/83/411325083.db2.gz KCUWYMKFRQNMDF-YWBBTBBSSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCC(F)CC1 ZINC000658293259 411324638 /nfs/dbraw/zinc/32/46/38/411324638.db2.gz LARRXFKQPBITEY-AYZDXNEBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCC(F)CC1 ZINC000658293260 411324318 /nfs/dbraw/zinc/32/43/18/411324318.db2.gz LARRXFKQPBITEY-CJQNXBEJSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCC(F)CC1 ZINC000658293261 411325060 /nfs/dbraw/zinc/32/50/60/411325060.db2.gz LARRXFKQPBITEY-KPHYFBGPSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCC(F)CC1 ZINC000658293262 411324550 /nfs/dbraw/zinc/32/45/50/411324550.db2.gz LARRXFKQPBITEY-XPXVYLNCSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)C1CCC(F)CC1 ZINC000658293560 411325815 /nfs/dbraw/zinc/32/58/15/411325815.db2.gz NIRBHVCDCFJEOJ-HIFPTAJRSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)C1CCC(F)CC1 ZINC000658293561 411325832 /nfs/dbraw/zinc/32/58/32/411325832.db2.gz NIRBHVCDCFJEOJ-PNESKVBLSA-N 1 0 227.367 3.826 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C1CCC(F)CC1 ZINC000658293610 411325601 /nfs/dbraw/zinc/32/56/01/411325601.db2.gz OBQBTXSYHFMLEH-IKWCTNDRSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)C1CCC(F)CC1 ZINC000658293611 411325474 /nfs/dbraw/zinc/32/54/74/411325474.db2.gz OBQBTXSYHFMLEH-WTIISPKJSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C1CCC(F)CC1 ZINC000658293613 411325735 /nfs/dbraw/zinc/32/57/35/411325735.db2.gz OBQBTXSYHFMLEH-XVSSEFHLSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C1CCC(F)CC1 ZINC000658293616 411325758 /nfs/dbraw/zinc/32/57/58/411325758.db2.gz OBQBTXSYHFMLEH-YWPUVAFDSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1ccoc1 ZINC000658293617 411325984 /nfs/dbraw/zinc/32/59/84/411325984.db2.gz ODPSSEFDJPVHJJ-IBQNZTRDSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccoc1 ZINC000658293619 411326050 /nfs/dbraw/zinc/32/60/50/411326050.db2.gz ODPSSEFDJPVHJJ-PZFKGIAWSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccoc1 ZINC000658293621 411325422 /nfs/dbraw/zinc/32/54/22/411325422.db2.gz ODPSSEFDJPVHJJ-QSZRKCJJSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)C1CCC(F)CC1 ZINC000658293622 411325763 /nfs/dbraw/zinc/32/57/63/411325763.db2.gz ODPSSEFDJPVHJJ-QZPOHEPASA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)C1CCC(F)CC1 ZINC000658294646 411325722 /nfs/dbraw/zinc/32/57/22/411325722.db2.gz VJIMPHFZGZASSC-AYZDXNEBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C1CCC(F)CC1 ZINC000658294649 411325755 /nfs/dbraw/zinc/32/57/55/411325755.db2.gz VJIMPHFZGZASSC-CJQNXBEJSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCC(F)CC1 ZINC000658294652 411325844 /nfs/dbraw/zinc/32/58/44/411325844.db2.gz VJIMPHFZGZASSC-KPHYFBGPSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCC(F)CC1 ZINC000658294654 411326121 /nfs/dbraw/zinc/32/61/21/411326121.db2.gz VJIMPHFZGZASSC-XPXVYLNCSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccco1)C1CCC(F)CC1 ZINC000658294874 411325429 /nfs/dbraw/zinc/32/54/29/411325429.db2.gz WYYLSQIYFKPYFD-IALDZJHCSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1ccco1 ZINC000658294876 411325748 /nfs/dbraw/zinc/32/57/48/411325748.db2.gz WYYLSQIYFKPYFD-OKZRHMCRSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccco1 ZINC000658294878 411325439 /nfs/dbraw/zinc/32/54/39/411325439.db2.gz WYYLSQIYFKPYFD-ZFDZMSFRSA-N 1 0 239.334 3.847 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccco1 ZINC000658294881 411326155 /nfs/dbraw/zinc/32/61/55/411326155.db2.gz WYYLSQIYFKPYFD-ZSVAQUKISA-N 1 0 239.334 3.847 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCC(F)CC1 ZINC000658295005 411325760 /nfs/dbraw/zinc/32/57/60/411325760.db2.gz YADFIHYCASXIIT-LVXVEBQZSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCC(F)CC1 ZINC000658295008 411326164 /nfs/dbraw/zinc/32/61/64/411326164.db2.gz YADFIHYCASXIIT-SEAGRDHOSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCC(F)CC1 ZINC000658295010 411326014 /nfs/dbraw/zinc/32/60/14/411326014.db2.gz YADFIHYCASXIIT-ZVYKTRIMSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCC(F)CC1 ZINC000658295013 411325738 /nfs/dbraw/zinc/32/57/38/411325738.db2.gz YADFIHYCASXIIT-ZWNFCVKBSA-N 1 0 239.378 3.681 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)C1CCSCC1)C1CC1 ZINC000658299010 411326931 /nfs/dbraw/zinc/32/69/31/411326931.db2.gz BZOKEDZNLSQASL-BXUZGUMPSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)C1CCSCC1)C1CC1 ZINC000658299011 411326988 /nfs/dbraw/zinc/32/69/88/411326988.db2.gz BZOKEDZNLSQASL-FZMZJTMJSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)C1CCSCC1)C1CC1 ZINC000658299012 411326339 /nfs/dbraw/zinc/32/63/39/411326339.db2.gz BZOKEDZNLSQASL-RISCZKNCSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)C1CCSCC1)C1CC1 ZINC000658299013 411326675 /nfs/dbraw/zinc/32/66/75/411326675.db2.gz BZOKEDZNLSQASL-SMDDNHRTSA-N 1 0 241.444 3.542 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)s1 ZINC000658299014 411326343 /nfs/dbraw/zinc/32/63/43/411326343.db2.gz CCSTZXVLOYKGDT-NOZJJQNGSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)s1 ZINC000658299015 411327114 /nfs/dbraw/zinc/32/71/14/411327114.db2.gz CCSTZXVLOYKGDT-RNCFNFMXSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)s1 ZINC000658299016 411326634 /nfs/dbraw/zinc/32/66/34/411326634.db2.gz CCSTZXVLOYKGDT-TVQRCGJNSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)s1 ZINC000658299017 411326978 /nfs/dbraw/zinc/32/69/78/411326978.db2.gz CCSTZXVLOYKGDT-ZANVPECISA-N 1 0 238.400 3.537 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C(C)C)C1CC1)c1ccncc1 ZINC000658299171 411326362 /nfs/dbraw/zinc/32/63/62/411326362.db2.gz DHKULUSHUIIWNK-CABCVRRESA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@@H](C(C)C)C1CC1)c1ccncc1 ZINC000658299174 411327117 /nfs/dbraw/zinc/32/71/17/411327117.db2.gz DHKULUSHUIIWNK-GJZGRUSLSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@@H]([NH2+][C@H](C(C)C)C1CC1)c1ccncc1 ZINC000658299176 411326553 /nfs/dbraw/zinc/32/65/53/411326553.db2.gz DHKULUSHUIIWNK-HUUCEWRRSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](C(C)C)C1CC1)c1ccncc1 ZINC000658299179 411326923 /nfs/dbraw/zinc/32/69/23/411326923.db2.gz DHKULUSHUIIWNK-LSDHHAIUSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)Cc1cccs1)C1CC1 ZINC000658299304 411326658 /nfs/dbraw/zinc/32/66/58/411326658.db2.gz FENCXMVIZCOLRT-BXUZGUMPSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)Cc1cccs1)C1CC1 ZINC000658299305 411326627 /nfs/dbraw/zinc/32/66/27/411326627.db2.gz FENCXMVIZCOLRT-FZMZJTMJSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)Cc1cccs1)C1CC1 ZINC000658299306 411326896 /nfs/dbraw/zinc/32/68/96/411326896.db2.gz FENCXMVIZCOLRT-RISCZKNCSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1cccs1)C1CC1 ZINC000658299307 411327065 /nfs/dbraw/zinc/32/70/65/411327065.db2.gz FENCXMVIZCOLRT-SMDDNHRTSA-N 1 0 237.412 3.703 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)C1CCC(F)(F)CC1 ZINC000658300164 411327176 /nfs/dbraw/zinc/32/71/76/411327176.db2.gz CAUFDHCIQLKINC-GWCFXTLKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)C1CCC(F)(F)CC1 ZINC000658300166 411326942 /nfs/dbraw/zinc/32/69/42/411326942.db2.gz CAUFDHCIQLKINC-GXFFZTMASA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)C1CCC(F)(F)CC1 ZINC000658300169 411326881 /nfs/dbraw/zinc/32/68/81/411326881.db2.gz CAUFDHCIQLKINC-MFKMUULPSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)C1CCC(F)(F)CC1 ZINC000658300171 411326345 /nfs/dbraw/zinc/32/63/45/411326345.db2.gz CAUFDHCIQLKINC-ZWNOBZJWSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300754 411327003 /nfs/dbraw/zinc/32/70/03/411327003.db2.gz FOKGXKZSEPWEDP-ABAIWWIYSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300755 411326718 /nfs/dbraw/zinc/32/67/18/411326718.db2.gz FOKGXKZSEPWEDP-IAQYHMDHSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300756 411326724 /nfs/dbraw/zinc/32/67/24/411326724.db2.gz FOKGXKZSEPWEDP-NHYWBVRUSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300757 411326662 /nfs/dbraw/zinc/32/66/62/411326662.db2.gz FOKGXKZSEPWEDP-XHDPSFHLSA-N 1 0 249.402 3.612 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658301238 411327895 /nfs/dbraw/zinc/32/78/95/411327895.db2.gz HADNBPCFFLHABN-GDBMZVCRSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658301239 411327876 /nfs/dbraw/zinc/32/78/76/411327876.db2.gz HADNBPCFFLHABN-GOEBONIOSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658301240 411327936 /nfs/dbraw/zinc/32/79/36/411327936.db2.gz HADNBPCFFLHABN-HOCLYGCPSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658301241 411327931 /nfs/dbraw/zinc/32/79/31/411327931.db2.gz HADNBPCFFLHABN-ZBFHGGJFSA-N 1 0 245.366 3.548 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658302157 411327550 /nfs/dbraw/zinc/32/75/50/411327550.db2.gz LJMVUXCXKPCXAZ-NOZJJQNGSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658302159 411327644 /nfs/dbraw/zinc/32/76/44/411327644.db2.gz LJMVUXCXKPCXAZ-RNCFNFMXSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658302160 411327535 /nfs/dbraw/zinc/32/75/35/411327535.db2.gz LJMVUXCXKPCXAZ-TVQRCGJNSA-N 1 0 239.384 3.596 20 0 BHADRO COc1ccsc1[C@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658302162 411327566 /nfs/dbraw/zinc/32/75/66/411327566.db2.gz LJMVUXCXKPCXAZ-ZANVPECISA-N 1 0 239.384 3.596 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C1CC1 ZINC000658302294 411327610 /nfs/dbraw/zinc/32/76/10/411327610.db2.gz PHZHZHVDXCEMIW-GXSJLCMTSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CCC(F)(F)F)C1CC1 ZINC000658302295 411327517 /nfs/dbraw/zinc/32/75/17/411327517.db2.gz PHZHZHVDXCEMIW-KOLCDFICSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)CCC(F)(F)F)C1CC1 ZINC000658302296 411327488 /nfs/dbraw/zinc/32/74/88/411327488.db2.gz PHZHZHVDXCEMIW-MWLCHTKSSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CCC(F)(F)F)C1CC1 ZINC000658302297 411327513 /nfs/dbraw/zinc/32/75/13/411327513.db2.gz PHZHZHVDXCEMIW-ONGXEEELSA-N 1 0 237.309 3.742 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)C1CC1 ZINC000658302509 411327432 /nfs/dbraw/zinc/32/74/32/411327432.db2.gz PVMLPLJLGBDGBX-DOMZBBRYSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)C1CC1 ZINC000658302515 411327564 /nfs/dbraw/zinc/32/75/64/411327564.db2.gz PVMLPLJLGBDGBX-IUODEOHRSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C1CC1 ZINC000658302516 411327595 /nfs/dbraw/zinc/32/75/95/411327595.db2.gz PVMLPLJLGBDGBX-SWLSCSKDSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C1CC1 ZINC000658302519 411327492 /nfs/dbraw/zinc/32/74/92/411327492.db2.gz PVMLPLJLGBDGBX-WFASDCNBSA-N 1 0 249.402 3.549 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccsc1)C1CC1 ZINC000658302589 411327378 /nfs/dbraw/zinc/32/73/78/411327378.db2.gz QMYFDJSEWODTLT-BXUZGUMPSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccsc1)C1CC1 ZINC000658302591 411327475 /nfs/dbraw/zinc/32/74/75/411327475.db2.gz QMYFDJSEWODTLT-FZMZJTMJSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccsc1)C1CC1 ZINC000658302593 411327544 /nfs/dbraw/zinc/32/75/44/411327544.db2.gz QMYFDJSEWODTLT-RISCZKNCSA-N 1 0 237.412 3.703 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C1CC1 ZINC000658302595 411327507 /nfs/dbraw/zinc/32/75/07/411327507.db2.gz QMYFDJSEWODTLT-SMDDNHRTSA-N 1 0 237.412 3.703 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000658302597 411327435 /nfs/dbraw/zinc/32/74/35/411327435.db2.gz QNHGEJSZMZRBQR-DOMZBBRYSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000658302599 411327618 /nfs/dbraw/zinc/32/76/18/411327618.db2.gz QNHGEJSZMZRBQR-IUODEOHRSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000658302602 411327473 /nfs/dbraw/zinc/32/74/73/411327473.db2.gz QNHGEJSZMZRBQR-SWLSCSKDSA-N 1 0 246.398 3.729 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000658302604 411327604 /nfs/dbraw/zinc/32/76/04/411327604.db2.gz QNHGEJSZMZRBQR-WFASDCNBSA-N 1 0 246.398 3.729 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658302767 411327547 /nfs/dbraw/zinc/32/75/47/411327547.db2.gz NDLDTMSYFJMXLO-DUVNUKRYSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658302768 411327459 /nfs/dbraw/zinc/32/74/59/411327459.db2.gz NDLDTMSYFJMXLO-INWMFGNUSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658302769 411327467 /nfs/dbraw/zinc/32/74/67/411327467.db2.gz NDLDTMSYFJMXLO-IVMMDQJWSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658302770 411327574 /nfs/dbraw/zinc/32/75/74/411327574.db2.gz NDLDTMSYFJMXLO-NOLJZWGESA-N 1 0 247.382 3.541 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c(C)n1 ZINC000658303792 411327485 /nfs/dbraw/zinc/32/74/85/411327485.db2.gz WVTWCTVIDZMVBW-BBRMVZONSA-N 1 0 246.398 3.784 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c(C)n1 ZINC000658303797 411327891 /nfs/dbraw/zinc/32/78/91/411327891.db2.gz WVTWCTVIDZMVBW-CJNGLKHVSA-N 1 0 246.398 3.784 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c(C)n1 ZINC000658303803 411327902 /nfs/dbraw/zinc/32/79/02/411327902.db2.gz WVTWCTVIDZMVBW-CZUORRHYSA-N 1 0 246.398 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)c(C)n1 ZINC000658303807 411327873 /nfs/dbraw/zinc/32/78/73/411327873.db2.gz WVTWCTVIDZMVBW-XJKSGUPXSA-N 1 0 246.398 3.784 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@]1(C)CC1(C)C ZINC000658304337 411328516 /nfs/dbraw/zinc/32/85/16/411328516.db2.gz OJDGEYJJEBHIHJ-BBRMVZONSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@]1(C)CC1(C)C ZINC000658304338 411328551 /nfs/dbraw/zinc/32/85/51/411328551.db2.gz OJDGEYJJEBHIHJ-CJNGLKHVSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@]1(C)CC1(C)C ZINC000658304339 411328469 /nfs/dbraw/zinc/32/84/69/411328469.db2.gz OJDGEYJJEBHIHJ-CZUORRHYSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@]1(C)CC1(C)C ZINC000658304340 411328433 /nfs/dbraw/zinc/32/84/33/411328433.db2.gz OJDGEYJJEBHIHJ-XJKSGUPXSA-N 1 0 246.398 3.571 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]C1CCC(C(F)F)CC1 ZINC000658304862 411328494 /nfs/dbraw/zinc/32/84/94/411328494.db2.gz QLNRIRMVNSYDKJ-SRHKJQAYSA-N 1 0 231.330 3.589 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]C1CCC(C(F)F)CC1 ZINC000658304864 411328485 /nfs/dbraw/zinc/32/84/85/411328485.db2.gz QLNRIRMVNSYDKJ-ZPPKWKGLSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305429 411329043 /nfs/dbraw/zinc/32/90/43/411329043.db2.gz SQQXUMLMCFHEAP-BMIGLBTASA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305435 411329001 /nfs/dbraw/zinc/32/90/01/411329001.db2.gz SQQXUMLMCFHEAP-BONVTDFDSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305443 411329050 /nfs/dbraw/zinc/32/90/50/411329050.db2.gz SQQXUMLMCFHEAP-MEBBXXQBSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305449 411328935 /nfs/dbraw/zinc/32/89/35/411328935.db2.gz SQQXUMLMCFHEAP-ZUZCIYMTSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccccc1 ZINC000658305813 411329030 /nfs/dbraw/zinc/32/90/30/411329030.db2.gz AZOHCFGMZZEFAE-BXUZGUMPSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccccc1 ZINC000658305815 411329027 /nfs/dbraw/zinc/32/90/27/411329027.db2.gz AZOHCFGMZZEFAE-FZMZJTMJSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccccc1 ZINC000658305816 411328813 /nfs/dbraw/zinc/32/88/13/411328813.db2.gz AZOHCFGMZZEFAE-RISCZKNCSA-N 1 0 203.329 3.526 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccccc1 ZINC000658305818 411328907 /nfs/dbraw/zinc/32/89/07/411328907.db2.gz AZOHCFGMZZEFAE-SMDDNHRTSA-N 1 0 203.329 3.526 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658305824 411328762 /nfs/dbraw/zinc/32/87/62/411328762.db2.gz UYJYYZMSERKKTG-BBRMVZONSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658305825 411328986 /nfs/dbraw/zinc/32/89/86/411328986.db2.gz UYJYYZMSERKKTG-CJNGLKHVSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658305828 411328963 /nfs/dbraw/zinc/32/89/63/411328963.db2.gz UYJYYZMSERKKTG-CZUORRHYSA-N 1 0 245.366 3.548 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658305830 411329047 /nfs/dbraw/zinc/32/90/47/411329047.db2.gz UYJYYZMSERKKTG-XJKSGUPXSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306259 411329652 /nfs/dbraw/zinc/32/96/52/411329652.db2.gz WPIAJCCZVXETGP-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306260 411329665 /nfs/dbraw/zinc/32/96/65/411329665.db2.gz WPIAJCCZVXETGP-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306261 411329591 /nfs/dbraw/zinc/32/95/91/411329591.db2.gz WPIAJCCZVXETGP-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306262 411329606 /nfs/dbraw/zinc/32/96/06/411329606.db2.gz WPIAJCCZVXETGP-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@]1(C)CC1(C)C ZINC000658306300 411329535 /nfs/dbraw/zinc/32/95/35/411329535.db2.gz WXGBWVNXEXRNMJ-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@]1(C)CC1(C)C ZINC000658306303 411329732 /nfs/dbraw/zinc/32/97/32/411329732.db2.gz WXGBWVNXEXRNMJ-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@]1(C)CC1(C)C ZINC000658306305 411329674 /nfs/dbraw/zinc/32/96/74/411329674.db2.gz WXGBWVNXEXRNMJ-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@]1(C)CC1(C)C ZINC000658306306 411329538 /nfs/dbraw/zinc/32/95/38/411329538.db2.gz WXGBWVNXEXRNMJ-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@]2(C)CC2(C)C)s1 ZINC000658306592 411329679 /nfs/dbraw/zinc/32/96/79/411329679.db2.gz FHLBLVQHGHQNKX-NOZJJQNGSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)s1 ZINC000658306593 411329682 /nfs/dbraw/zinc/32/96/82/411329682.db2.gz FHLBLVQHGHQNKX-RNCFNFMXSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@]2(C)CC2(C)C)s1 ZINC000658306594 411329695 /nfs/dbraw/zinc/32/96/95/411329695.db2.gz FHLBLVQHGHQNKX-TVQRCGJNSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc(C)c([C@H](C)[NH2+][C@@]2(C)CC2(C)C)s1 ZINC000658306595 411329657 /nfs/dbraw/zinc/32/96/57/411329657.db2.gz FHLBLVQHGHQNKX-ZANVPECISA-N 1 0 238.400 3.599 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306679 411329531 /nfs/dbraw/zinc/32/95/31/411329531.db2.gz YVSPHJAVDQNAQI-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306681 411329522 /nfs/dbraw/zinc/32/95/22/411329522.db2.gz YVSPHJAVDQNAQI-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306683 411329527 /nfs/dbraw/zinc/32/95/27/411329527.db2.gz YVSPHJAVDQNAQI-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306684 411329613 /nfs/dbraw/zinc/32/96/13/411329613.db2.gz YVSPHJAVDQNAQI-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc2c(c1)COC2 ZINC000658306942 411329602 /nfs/dbraw/zinc/32/96/02/411329602.db2.gz GVHBTKKKHVQCCY-BDJLRTHQSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc2c(c1)COC2 ZINC000658306943 411329659 /nfs/dbraw/zinc/32/96/59/411329659.db2.gz GVHBTKKKHVQCCY-BZNIZROVSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc2c(c1)COC2 ZINC000658306944 411329604 /nfs/dbraw/zinc/32/96/04/411329604.db2.gz GVHBTKKKHVQCCY-MEDUHNTESA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc2c(c1)COC2 ZINC000658306945 411329689 /nfs/dbraw/zinc/32/96/89/411329689.db2.gz GVHBTKKKHVQCCY-ZBEGNZNMSA-N 1 0 245.366 3.556 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000658306954 411329645 /nfs/dbraw/zinc/32/96/45/411329645.db2.gz HBNIACFGKCKOBI-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000658306955 411329631 /nfs/dbraw/zinc/32/96/31/411329631.db2.gz HBNIACFGKCKOBI-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000658306956 411329721 /nfs/dbraw/zinc/32/97/21/411329721.db2.gz HBNIACFGKCKOBI-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1cccc([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000658306957 411329616 /nfs/dbraw/zinc/32/96/16/411329616.db2.gz HBNIACFGKCKOBI-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c(C)n1 ZINC000658307142 411330168 /nfs/dbraw/zinc/33/01/68/411330168.db2.gz IPOUIDOQPUZQTR-DOMZBBRYSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c(C)n1 ZINC000658307143 411330143 /nfs/dbraw/zinc/33/01/43/411330143.db2.gz IPOUIDOQPUZQTR-IUODEOHRSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@]2(C)CC2(C)C)c(C)n1 ZINC000658307144 411330201 /nfs/dbraw/zinc/33/02/01/411330201.db2.gz IPOUIDOQPUZQTR-SWLSCSKDSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c(C)n1 ZINC000658307146 411330288 /nfs/dbraw/zinc/33/02/88/411330288.db2.gz IPOUIDOQPUZQTR-WFASDCNBSA-N 1 0 232.371 3.538 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658308811 411331046 /nfs/dbraw/zinc/33/10/46/411331046.db2.gz RBENZKUQWKDVLQ-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658308812 411331035 /nfs/dbraw/zinc/33/10/35/411331035.db2.gz RBENZKUQWKDVLQ-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000658308949 411331043 /nfs/dbraw/zinc/33/10/43/411331043.db2.gz RBENZKUQWKDVLQ-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccccc1[C@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000658308950 411330753 /nfs/dbraw/zinc/33/07/53/411330753.db2.gz RBENZKUQWKDVLQ-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)cc1 ZINC000658309040 411331034 /nfs/dbraw/zinc/33/10/34/411331034.db2.gz SEKIXCZMCZNUOU-ABAIWWIYSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@@H](C)[NH2+][C@]2(C)CC2(C)C)cc1 ZINC000658309041 411330606 /nfs/dbraw/zinc/33/06/06/411330606.db2.gz SEKIXCZMCZNUOU-IAQYHMDHSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@@]2(C)CC2(C)C)cc1 ZINC000658309042 411330791 /nfs/dbraw/zinc/33/07/91/411330791.db2.gz SEKIXCZMCZNUOU-NHYWBVRUSA-N 1 0 233.355 3.534 20 0 BHADRO COc1ccc([C@H](C)[NH2+][C@]2(C)CC2(C)C)cc1 ZINC000658309043 411331029 /nfs/dbraw/zinc/33/10/29/411331029.db2.gz SEKIXCZMCZNUOU-XHDPSFHLSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cccs1 ZINC000658309079 411330948 /nfs/dbraw/zinc/33/09/48/411330948.db2.gz SSSBITGDSSAACB-BXKDBHETSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cccs1 ZINC000658309081 411330931 /nfs/dbraw/zinc/33/09/31/411330931.db2.gz SSSBITGDSSAACB-CABZTGNLSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cccs1 ZINC000658309083 411330814 /nfs/dbraw/zinc/33/08/14/411330814.db2.gz SSSBITGDSSAACB-JOYOIKCWSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cccs1 ZINC000658309084 411330888 /nfs/dbraw/zinc/33/08/88/411330888.db2.gz SSSBITGDSSAACB-SKDRFNHKSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccsc1 ZINC000658309278 411330657 /nfs/dbraw/zinc/33/06/57/411330657.db2.gz ULXYROGBPBSQRH-BXKDBHETSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccsc1 ZINC000658309279 411331008 /nfs/dbraw/zinc/33/10/08/411331008.db2.gz ULXYROGBPBSQRH-CABZTGNLSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccsc1 ZINC000658309280 411330646 /nfs/dbraw/zinc/33/06/46/411330646.db2.gz ULXYROGBPBSQRH-JOYOIKCWSA-N 1 0 209.358 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccsc1 ZINC000658309281 411331005 /nfs/dbraw/zinc/33/10/05/411331005.db2.gz ULXYROGBPBSQRH-SKDRFNHKSA-N 1 0 209.358 3.587 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c(C)s1 ZINC000658309751 411330985 /nfs/dbraw/zinc/33/09/85/411330985.db2.gz YKADAMHWCBOGHY-AMIZOPFISA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@]2(C)CC2(C)C)c(C)s1 ZINC000658309752 411330925 /nfs/dbraw/zinc/33/09/25/411330925.db2.gz YKADAMHWCBOGHY-ISVAXAHUSA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c(C)s1 ZINC000658309753 411331037 /nfs/dbraw/zinc/33/10/37/411331037.db2.gz YKADAMHWCBOGHY-OQPBUACISA-N 1 0 238.400 3.599 20 0 BHADRO Cc1nc([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c(C)s1 ZINC000658309754 411330826 /nfs/dbraw/zinc/33/08/26/411330826.db2.gz YKADAMHWCBOGHY-SDBXPKJASA-N 1 0 238.400 3.599 20 0 BHADRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC000658314609 487584429 /nfs/dbraw/zinc/58/44/29/487584429.db2.gz IBXQFDUVWSSVHI-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC000658314610 487584160 /nfs/dbraw/zinc/58/41/60/487584160.db2.gz IBXQFDUVWSSVHI-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC000658314611 487584167 /nfs/dbraw/zinc/58/41/67/487584167.db2.gz IBXQFDUVWSSVHI-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC000658314612 487583902 /nfs/dbraw/zinc/58/39/02/487583902.db2.gz IBXQFDUVWSSVHI-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)[NH2+]CCc1nsc2ccccc12 ZINC000658316366 487585741 /nfs/dbraw/zinc/58/57/41/487585741.db2.gz FGPGXFNNJDYUTE-UHFFFAOYSA-N 1 0 248.395 3.617 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000658319240 411332046 /nfs/dbraw/zinc/33/20/46/411332046.db2.gz YHMNGRKACXIBCY-LLVKDONJSA-N 1 0 248.395 3.617 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000658319241 411331984 /nfs/dbraw/zinc/33/19/84/411331984.db2.gz YHMNGRKACXIBCY-NSHDSACASA-N 1 0 248.395 3.617 20 0 BHADRO CCOC1CCC([NH2+]C2(CC(C)C)CC2)CC1 ZINC000658319764 411332387 /nfs/dbraw/zinc/33/23/87/411332387.db2.gz GOKCSOSGEQOZSP-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]C1(CC(C)C)CC1)c1ccncc1 ZINC000658319859 411332124 /nfs/dbraw/zinc/33/21/24/411332124.db2.gz KVPTUUMRCPTWNH-AWEZNQCLSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+]C1(CC(C)C)CC1)c1ccncc1 ZINC000658319860 411332353 /nfs/dbraw/zinc/33/23/53/411332353.db2.gz KVPTUUMRCPTWNH-CQSZACIVSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)CC1([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000658319901 411332366 /nfs/dbraw/zinc/33/23/66/411332366.db2.gz OSLZIEXKUKZTHJ-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2(CC(C)C)CC2)cs1 ZINC000658320114 411332333 /nfs/dbraw/zinc/33/23/33/411332333.db2.gz ZOWZTZVAWZNEEF-JTQLQIEISA-N 1 0 238.400 3.681 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2(CC(C)C)CC2)cs1 ZINC000658320115 411331848 /nfs/dbraw/zinc/33/18/48/411331848.db2.gz ZOWZTZVAWZNEEF-SNVBAGLBSA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(CC(C)C)CC2)o1 ZINC000658320456 411332575 /nfs/dbraw/zinc/33/25/75/411332575.db2.gz AVTMSBBUPOSIAU-GFCCVEGCSA-N 1 0 221.344 3.817 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(CC(C)C)CC2)o1 ZINC000658320458 411332288 /nfs/dbraw/zinc/33/22/88/411332288.db2.gz AVTMSBBUPOSIAU-LBPRGKRZSA-N 1 0 221.344 3.817 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2ccsc2)CC1 ZINC000658320469 411332443 /nfs/dbraw/zinc/33/24/43/411332443.db2.gz BBILWZJZAGZOSX-LLVKDONJSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000658320470 411332513 /nfs/dbraw/zinc/33/25/13/411332513.db2.gz BBILWZJZAGZOSX-NSHDSACASA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)CC1([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000658320604 411332195 /nfs/dbraw/zinc/33/21/95/411332195.db2.gz CTWRERARKTUXMZ-CYBMUJFWSA-N 1 0 233.355 3.825 20 0 BHADRO CC(C)CC1([NH2+][C@H]2CCCc3occc32)CC1 ZINC000658320605 411332455 /nfs/dbraw/zinc/33/24/55/411332455.db2.gz CTWRERARKTUXMZ-ZDUSSCGKSA-N 1 0 233.355 3.825 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658320643 411331842 /nfs/dbraw/zinc/33/18/42/411331842.db2.gz DKSBLDRDBRGPSD-CYBMUJFWSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658320644 411331910 /nfs/dbraw/zinc/33/19/10/411331910.db2.gz DKSBLDRDBRGPSD-ZDUSSCGKSA-N 1 0 232.371 3.619 20 0 BHADRO CC(C)CC1([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000658320737 411332344 /nfs/dbraw/zinc/33/23/44/411332344.db2.gz FYFMBWGPBOTNJI-AWEZNQCLSA-N 1 0 244.382 3.627 20 0 BHADRO CC(C)CC1([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000658320738 411332168 /nfs/dbraw/zinc/33/21/68/411332168.db2.gz FYFMBWGPBOTNJI-CQSZACIVSA-N 1 0 244.382 3.627 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)CCC(F)(F)F)CC1 ZINC000658320771 411332419 /nfs/dbraw/zinc/33/24/19/411332419.db2.gz HGWDHFDCWHIRJQ-JTQLQIEISA-N 1 0 237.309 3.886 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)CCC(F)(F)F)CC1 ZINC000658320772 411332483 /nfs/dbraw/zinc/33/24/83/411332483.db2.gz HGWDHFDCWHIRJQ-SNVBAGLBSA-N 1 0 237.309 3.886 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658320773 411332246 /nfs/dbraw/zinc/33/22/46/411332246.db2.gz HHEPCHWNUNXNEJ-CYBMUJFWSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658320774 411332055 /nfs/dbraw/zinc/33/20/55/411332055.db2.gz HHEPCHWNUNXNEJ-ZDUSSCGKSA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000658320982 411333220 /nfs/dbraw/zinc/33/32/20/411333220.db2.gz LCZIHRDODOBMBW-GFCCVEGCSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000658320983 411333382 /nfs/dbraw/zinc/33/33/82/411333382.db2.gz LCZIHRDODOBMBW-LBPRGKRZSA-N 1 0 237.412 3.847 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(CC(C)C)CC2)c(C)n1 ZINC000658321130 411333934 /nfs/dbraw/zinc/33/39/34/411333934.db2.gz MLOOLBJHMQKVCT-AWEZNQCLSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(CC(C)C)CC2)c(C)n1 ZINC000658321131 411333433 /nfs/dbraw/zinc/33/34/33/411333433.db2.gz MLOOLBJHMQKVCT-CQSZACIVSA-N 1 0 246.398 3.928 20 0 BHADRO COC1(C[C@@H](C)[NH2+]C2(CC(C)C)CC2)CCC1 ZINC000658321156 411333845 /nfs/dbraw/zinc/33/38/45/411333845.db2.gz NBCKRUUJVPDLBL-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO COC1(C[C@H](C)[NH2+]C2(CC(C)C)CC2)CCC1 ZINC000658321158 411333947 /nfs/dbraw/zinc/33/39/47/411333947.db2.gz NBCKRUUJVPDLBL-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C2(CC(C)C)CC2)s1 ZINC000658321378 411333385 /nfs/dbraw/zinc/33/33/85/411333385.db2.gz POVNGRFBYJEVHT-JTQLQIEISA-N 1 0 238.400 3.681 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C2(CC(C)C)CC2)s1 ZINC000658321379 411333471 /nfs/dbraw/zinc/33/34/71/411333471.db2.gz POVNGRFBYJEVHT-SNVBAGLBSA-N 1 0 238.400 3.681 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2ccco2)CC1 ZINC000658321449 411333199 /nfs/dbraw/zinc/33/31/99/411333199.db2.gz RSDQAMLNJCPKRU-LLVKDONJSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2ccco2)CC1 ZINC000658321450 411333715 /nfs/dbraw/zinc/33/37/15/411333715.db2.gz RSDQAMLNJCPKRU-NSHDSACASA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000658321491 411333393 /nfs/dbraw/zinc/33/33/93/411333393.db2.gz SCLCKDSVLXRBIO-CYBMUJFWSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000658321492 411333135 /nfs/dbraw/zinc/33/31/35/411333135.db2.gz SCLCKDSVLXRBIO-ZDUSSCGKSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)CC1([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000658321516 411333242 /nfs/dbraw/zinc/33/32/42/411333242.db2.gz SUNYISDVCBNSQI-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2cccs2)CC1 ZINC000658321545 411333678 /nfs/dbraw/zinc/33/36/78/411333678.db2.gz UFJRTXNNDBYWIS-LLVKDONJSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2cccs2)CC1 ZINC000658321547 411333103 /nfs/dbraw/zinc/33/31/03/411333103.db2.gz UFJRTXNNDBYWIS-NSHDSACASA-N 1 0 223.385 3.977 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000658321551 411333114 /nfs/dbraw/zinc/33/31/14/411333114.db2.gz UISQFQULQCFVMU-CYBMUJFWSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000658321553 411333970 /nfs/dbraw/zinc/33/39/70/411333970.db2.gz UISQFQULQCFVMU-ZDUSSCGKSA-N 1 0 232.371 3.619 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000658321740 411333857 /nfs/dbraw/zinc/33/38/57/411333857.db2.gz VOIHJVPVGDQJJP-GFCCVEGCSA-N 1 0 233.355 3.622 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000658321742 411333071 /nfs/dbraw/zinc/33/30/71/411333071.db2.gz VOIHJVPVGDQJJP-LBPRGKRZSA-N 1 0 233.355 3.622 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000658321780 411332983 /nfs/dbraw/zinc/33/29/83/411332983.db2.gz WDWXULWCZKBOSL-GFCCVEGCSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000658321781 411333348 /nfs/dbraw/zinc/33/33/48/411333348.db2.gz WDWXULWCZKBOSL-LBPRGKRZSA-N 1 0 237.412 3.847 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)c2ccoc2)CC1 ZINC000658321791 411333850 /nfs/dbraw/zinc/33/38/50/411333850.db2.gz WLELKVJTOBPIIV-LLVKDONJSA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000658321792 411333192 /nfs/dbraw/zinc/33/31/92/411333192.db2.gz WLELKVJTOBPIIV-NSHDSACASA-N 1 0 207.317 3.509 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000658322048 411333215 /nfs/dbraw/zinc/33/32/15/411333215.db2.gz ZMZTXFCLNVACAG-CYBMUJFWSA-N 1 0 235.371 3.769 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000658322051 411333731 /nfs/dbraw/zinc/33/37/31/411333731.db2.gz ZMZTXFCLNVACAG-ZDUSSCGKSA-N 1 0 235.371 3.769 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000658322058 411333165 /nfs/dbraw/zinc/33/31/65/411333165.db2.gz ZSJAPGUIBRPCFL-GFCCVEGCSA-N 1 0 241.444 3.686 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000658322060 411333841 /nfs/dbraw/zinc/33/38/41/411333841.db2.gz ZSJAPGUIBRPCFL-LBPRGKRZSA-N 1 0 241.444 3.686 20 0 BHADRO COc1cccc(C2([NH2+]C3CCCC3)CCC2)c1 ZINC000658323946 411333573 /nfs/dbraw/zinc/33/35/73/411333573.db2.gz VCRYFNPLCNPRRT-UHFFFAOYSA-N 1 0 245.366 3.607 20 0 BHADRO c1coc(CCC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000658324923 411334831 /nfs/dbraw/zinc/33/48/31/411334831.db2.gz GTVCTGWZNJKIBN-AWEZNQCLSA-N 1 0 233.355 3.525 20 0 BHADRO c1coc(CCC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000658324924 411335036 /nfs/dbraw/zinc/33/50/36/411335036.db2.gz GTVCTGWZNJKIBN-CQSZACIVSA-N 1 0 233.355 3.525 20 0 BHADRO c1coc(CCC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000658325216 411334354 /nfs/dbraw/zinc/33/43/54/411334354.db2.gz KVTBNBLXGZBBEP-AWEZNQCLSA-N 1 0 233.355 3.525 20 0 BHADRO c1coc(CCC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000658325218 411334430 /nfs/dbraw/zinc/33/44/30/411334430.db2.gz KVTBNBLXGZBBEP-CQSZACIVSA-N 1 0 233.355 3.525 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658325268 411334545 /nfs/dbraw/zinc/33/45/45/411334545.db2.gz LHCIPDHICNPDEF-KBPBESRZSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658325271 411334221 /nfs/dbraw/zinc/33/42/21/411334221.db2.gz LHCIPDHICNPDEF-KGLIPLIRSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658325273 411334512 /nfs/dbraw/zinc/33/45/12/411334512.db2.gz LHCIPDHICNPDEF-UONOGXRCSA-N 1 0 235.371 3.627 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658325275 411334248 /nfs/dbraw/zinc/33/42/48/411334248.db2.gz LHCIPDHICNPDEF-ZIAGYGMSSA-N 1 0 235.371 3.627 20 0 BHADRO c1coc(CCC[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000658325444 411334468 /nfs/dbraw/zinc/33/44/68/411334468.db2.gz NEFQARVAEATBPX-INIZCTEOSA-N 1 0 247.382 3.771 20 0 BHADRO c1coc(CCC[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000658325448 411334670 /nfs/dbraw/zinc/33/46/70/411334670.db2.gz NEFQARVAEATBPX-MRXNPFEDSA-N 1 0 247.382 3.771 20 0 BHADRO c1coc(CCC[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000658325665 411335179 /nfs/dbraw/zinc/33/51/79/411335179.db2.gz QGRYHAMLWZXGBR-UHFFFAOYSA-N 1 0 247.382 3.771 20 0 BHADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCc1ccco1 ZINC000658325797 411334597 /nfs/dbraw/zinc/33/45/97/411334597.db2.gz SIXIDILXUDPBJU-ILXRZTDVSA-N 1 0 247.382 3.627 20 0 BHADRO CC1(C)[C@H]([NH2+]CCCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000658325799 411334787 /nfs/dbraw/zinc/33/47/87/411334787.db2.gz SIXIDILXUDPBJU-QLFBSQMISA-N 1 0 247.382 3.627 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCc2ccco2)cs1 ZINC000658325909 411334371 /nfs/dbraw/zinc/33/43/71/411334371.db2.gz VDKKKDGBGVMWLS-GFCCVEGCSA-N 1 0 249.379 3.933 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCc2ccco2)cs1 ZINC000658325911 411334857 /nfs/dbraw/zinc/33/48/57/411334857.db2.gz VDKKKDGBGVMWLS-LBPRGKRZSA-N 1 0 249.379 3.933 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658326071 411334376 /nfs/dbraw/zinc/33/43/76/411334376.db2.gz WOZRBXONHJOOLY-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCc1ccco1 ZINC000658326073 411335010 /nfs/dbraw/zinc/33/50/10/411335010.db2.gz WOZRBXONHJOOLY-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCc2ccco2)cc1 ZINC000658326111 411334898 /nfs/dbraw/zinc/33/48/98/411334898.db2.gz BJMYKAMINDETDB-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccco2)cc1 ZINC000658326112 411334326 /nfs/dbraw/zinc/33/43/26/411334326.db2.gz BJMYKAMINDETDB-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCCc1ccco1 ZINC000658326169 411334829 /nfs/dbraw/zinc/33/48/29/411334829.db2.gz YDGJWYLPXXKNOF-JTQLQIEISA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCCc1ccco1 ZINC000658326170 411335194 /nfs/dbraw/zinc/33/51/94/411335194.db2.gz YDGJWYLPXXKNOF-SNVBAGLBSA-N 1 0 249.276 3.533 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCc2ccco2)oc1C ZINC000658326213 411335016 /nfs/dbraw/zinc/33/50/16/411335016.db2.gz YMVWIISQLLYPOK-GFCCVEGCSA-N 1 0 247.338 3.773 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCc2ccco2)oc1C ZINC000658326220 411334521 /nfs/dbraw/zinc/33/45/21/411334521.db2.gz YMVWIISQLLYPOK-LBPRGKRZSA-N 1 0 247.338 3.773 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCc2ccco2)c(C)o1 ZINC000658326424 411334450 /nfs/dbraw/zinc/33/44/50/411334450.db2.gz FKIXWIOMTPLXDY-GFCCVEGCSA-N 1 0 247.338 3.773 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCc2ccco2)c(C)o1 ZINC000658326425 411335098 /nfs/dbraw/zinc/33/50/98/411335098.db2.gz FKIXWIOMTPLXDY-LBPRGKRZSA-N 1 0 247.338 3.773 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CCCc2ccco2)c1 ZINC000658326486 411334436 /nfs/dbraw/zinc/33/44/36/411334436.db2.gz GFUVPMHAYYXHJE-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CCCc2ccco2)c1 ZINC000658326487 411334761 /nfs/dbraw/zinc/33/47/61/411334761.db2.gz GFUVPMHAYYXHJE-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1cccc(F)c1 ZINC000658326536 411335190 /nfs/dbraw/zinc/33/51/90/411335190.db2.gz GXCCIUJYSPLOBJ-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1cccc(F)c1 ZINC000658326538 411334407 /nfs/dbraw/zinc/33/44/07/411334407.db2.gz GXCCIUJYSPLOBJ-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658326794 411336188 /nfs/dbraw/zinc/33/61/88/411336188.db2.gz KCLIUAUTLXNVAS-CYBMUJFWSA-N 1 0 223.360 3.627 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CCCc1ccco1 ZINC000658326796 411336284 /nfs/dbraw/zinc/33/62/84/411336284.db2.gz KCLIUAUTLXNVAS-ZDUSSCGKSA-N 1 0 223.360 3.627 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCCc1ccco1 ZINC000658326877 411335664 /nfs/dbraw/zinc/33/56/64/411335664.db2.gz KUFXYNBDEJNQPC-AWEZNQCLSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658326878 411335934 /nfs/dbraw/zinc/33/59/34/411335934.db2.gz KUFXYNBDEJNQPC-CQSZACIVSA-N 1 0 243.350 3.871 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccco2)s1 ZINC000658327002 411335733 /nfs/dbraw/zinc/33/57/33/411335733.db2.gz MAMLGRIDPKCLDZ-GFCCVEGCSA-N 1 0 249.379 3.933 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCc2ccco2)s1 ZINC000658327003 411336246 /nfs/dbraw/zinc/33/62/46/411336246.db2.gz MAMLGRIDPKCLDZ-LBPRGKRZSA-N 1 0 249.379 3.933 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+]CCCc2ccco2)o1 ZINC000658327540 411336273 /nfs/dbraw/zinc/33/62/73/411336273.db2.gz OPGFRAKUUPPAIF-GFCCVEGCSA-N 1 0 247.338 3.718 20 0 BHADRO CCc1ccc([C@H](C)[NH2+]CCCc2ccco2)o1 ZINC000658327543 411336312 /nfs/dbraw/zinc/33/63/12/411336312.db2.gz OPGFRAKUUPPAIF-LBPRGKRZSA-N 1 0 247.338 3.718 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1 ZINC000658328037 411335659 /nfs/dbraw/zinc/33/56/59/411335659.db2.gz SWLMAVNUIWMFPQ-GFCCVEGCSA-N 1 0 247.313 3.702 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1 ZINC000658328038 411335563 /nfs/dbraw/zinc/33/55/63/411335563.db2.gz SWLMAVNUIWMFPQ-LBPRGKRZSA-N 1 0 247.313 3.702 20 0 BHADRO Cc1ccsc1[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658328091 411336238 /nfs/dbraw/zinc/33/62/38/411336238.db2.gz URPOUISOZIFZKX-GFCCVEGCSA-N 1 0 249.379 3.933 20 0 BHADRO Cc1ccsc1[C@H](C)[NH2+]CCCc1ccco1 ZINC000658328092 411336097 /nfs/dbraw/zinc/33/60/97/411336097.db2.gz URPOUISOZIFZKX-LBPRGKRZSA-N 1 0 249.379 3.933 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1cccs1 ZINC000658328103 411335826 /nfs/dbraw/zinc/33/58/26/411335826.db2.gz VDOKHIFCVVFSPK-LLVKDONJSA-N 1 0 235.352 3.625 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1cccs1 ZINC000658328105 411335912 /nfs/dbraw/zinc/33/59/12/411335912.db2.gz VDOKHIFCVVFSPK-NSHDSACASA-N 1 0 235.352 3.625 20 0 BHADRO C[C@@H]([NH2+]CCCc1ccco1)c1ccsc1 ZINC000658328317 411335491 /nfs/dbraw/zinc/33/54/91/411335491.db2.gz WNMCBRBFCKOUOQ-LLVKDONJSA-N 1 0 235.352 3.625 20 0 BHADRO C[C@H]([NH2+]CCCc1ccco1)c1ccsc1 ZINC000658328323 411336301 /nfs/dbraw/zinc/33/63/01/411336301.db2.gz WNMCBRBFCKOUOQ-NSHDSACASA-N 1 0 235.352 3.625 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccco1)c1ccccc1 ZINC000658328491 411335744 /nfs/dbraw/zinc/33/57/44/411335744.db2.gz XIWLLZGCQWRQIQ-INIZCTEOSA-N 1 0 243.350 3.953 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccco1)c1ccccc1 ZINC000658328493 411336190 /nfs/dbraw/zinc/33/61/90/411336190.db2.gz XIWLLZGCQWRQIQ-MRXNPFEDSA-N 1 0 243.350 3.953 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658329238 411337478 /nfs/dbraw/zinc/33/74/78/411337478.db2.gz DLCGQGHYWCIOKL-KBPBESRZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658329239 411336782 /nfs/dbraw/zinc/33/67/82/411336782.db2.gz DLCGQGHYWCIOKL-KGLIPLIRSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658329241 411337169 /nfs/dbraw/zinc/33/71/69/411337169.db2.gz DLCGQGHYWCIOKL-UONOGXRCSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658329243 411337166 /nfs/dbraw/zinc/33/71/66/411337166.db2.gz DLCGQGHYWCIOKL-ZIAGYGMSSA-N 1 0 239.403 3.526 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330455 411338729 /nfs/dbraw/zinc/33/87/29/411338729.db2.gz JMQSKZLRRYLCHS-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330459 411338722 /nfs/dbraw/zinc/33/87/22/411338722.db2.gz JMQSKZLRRYLCHS-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330461 411338219 /nfs/dbraw/zinc/33/82/19/411338219.db2.gz JMQSKZLRRYLCHS-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330465 411337809 /nfs/dbraw/zinc/33/78/09/411337809.db2.gz JMQSKZLRRYLCHS-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330477 411338467 /nfs/dbraw/zinc/33/84/67/411338467.db2.gz KQKPVZZRBZFFEV-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330479 411337705 /nfs/dbraw/zinc/33/77/05/411337705.db2.gz KQKPVZZRBZFFEV-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330483 411338442 /nfs/dbraw/zinc/33/84/42/411338442.db2.gz KQKPVZZRBZFFEV-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330487 411337744 /nfs/dbraw/zinc/33/77/44/411337744.db2.gz KQKPVZZRBZFFEV-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330566 411338673 /nfs/dbraw/zinc/33/86/73/411338673.db2.gz KUWRUQMMMZUHQK-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330567 411338297 /nfs/dbraw/zinc/33/82/97/411338297.db2.gz KUWRUQMMMZUHQK-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658330569 411338435 /nfs/dbraw/zinc/33/84/35/411338435.db2.gz KUWRUQMMMZUHQK-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330570 411338308 /nfs/dbraw/zinc/33/83/08/411338308.db2.gz KUWRUQMMMZUHQK-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1 ZINC000658331047 411339282 /nfs/dbraw/zinc/33/92/82/411339282.db2.gz LMVCWFWDYONJCY-CABCVRRESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccccc1 ZINC000658331050 411339838 /nfs/dbraw/zinc/33/98/38/411339838.db2.gz LMVCWFWDYONJCY-GJZGRUSLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1 ZINC000658331055 411339171 /nfs/dbraw/zinc/33/91/71/411339171.db2.gz LMVCWFWDYONJCY-HUUCEWRRSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccccc1 ZINC000658331058 411339223 /nfs/dbraw/zinc/33/92/23/411339223.db2.gz LMVCWFWDYONJCY-LSDHHAIUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333029 411340591 /nfs/dbraw/zinc/34/05/91/411340591.db2.gz SEMHTYXTPXTQEB-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333032 411341194 /nfs/dbraw/zinc/34/11/94/411341194.db2.gz SEMHTYXTPXTQEB-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333035 411341199 /nfs/dbraw/zinc/34/11/99/411341199.db2.gz SEMHTYXTPXTQEB-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333037 411340284 /nfs/dbraw/zinc/34/02/84/411340284.db2.gz SEMHTYXTPXTQEB-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333918 411342102 /nfs/dbraw/zinc/34/21/02/411342102.db2.gz WQZHQNNYUJOPKB-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333920 411342159 /nfs/dbraw/zinc/34/21/59/411342159.db2.gz WQZHQNNYUJOPKB-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333922 411342248 /nfs/dbraw/zinc/34/22/48/411342248.db2.gz WQZHQNNYUJOPKB-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333923 411342656 /nfs/dbraw/zinc/34/26/56/411342656.db2.gz WQZHQNNYUJOPKB-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+][C@H]1CCC12CCC2 ZINC000658337054 411344389 /nfs/dbraw/zinc/34/43/89/411344389.db2.gz BZGSTXNKJHUJGG-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+][C@@H]1CCC12CCC2 ZINC000658337055 411344954 /nfs/dbraw/zinc/34/49/54/411344954.db2.gz BZGSTXNKJHUJGG-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+][C@H]1CCCC12CC2 ZINC000658338384 411346697 /nfs/dbraw/zinc/34/66/97/411346697.db2.gz IMORTBKVDPPYDQ-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+][C@@H]1CCCC12CC2 ZINC000658338385 411346565 /nfs/dbraw/zinc/34/65/65/411346565.db2.gz IMORTBKVDPPYDQ-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)C2)c(C)n1 ZINC000658346399 487589750 /nfs/dbraw/zinc/58/97/50/487589750.db2.gz GONKFOGABRXIGR-GFCCVEGCSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)c(C)n1 ZINC000658346400 487589413 /nfs/dbraw/zinc/58/94/13/487589413.db2.gz GONKFOGABRXIGR-LBPRGKRZSA-N 1 0 232.371 3.538 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccncc1Cl ZINC000658346474 487589346 /nfs/dbraw/zinc/58/93/46/487589346.db2.gz IBPUVSJGCBVXEJ-SECBINFHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccncc1Cl ZINC000658346476 487589548 /nfs/dbraw/zinc/58/95/48/487589548.db2.gz IBPUVSJGCBVXEJ-VIFPVBQESA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cc2cnccc2o1 ZINC000658346514 487589966 /nfs/dbraw/zinc/58/99/66/487589966.db2.gz IRIMWQCLGQTMJB-JTQLQIEISA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cc2cnccc2o1 ZINC000658346516 487589808 /nfs/dbraw/zinc/58/98/08/487589808.db2.gz IRIMWQCLGQTMJB-SNVBAGLBSA-N 1 0 244.338 3.667 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000658346761 487589197 /nfs/dbraw/zinc/58/91/97/487589197.db2.gz MZFJLVOTVRGJFQ-AWEZNQCLSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C)(C)C1)c1cccnc1 ZINC000658346762 487589364 /nfs/dbraw/zinc/58/93/64/487589364.db2.gz MZFJLVOTVRGJFQ-CQSZACIVSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H]([NH2+]C1CC(C)(C)C1)c1ccncc1 ZINC000658347091 487589891 /nfs/dbraw/zinc/58/98/91/487589891.db2.gz YLVYITVFSMUUIA-HNNXBMFYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccncc1 ZINC000658347093 487589395 /nfs/dbraw/zinc/58/93/95/487589395.db2.gz YLVYITVFSMUUIA-OAHLLOKOSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658360713 411356089 /nfs/dbraw/zinc/35/60/89/411356089.db2.gz JBHCPTSWZGMOHJ-DZKIICNBSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658360714 411356639 /nfs/dbraw/zinc/35/66/39/411356639.db2.gz JBHCPTSWZGMOHJ-LZWOXQAQSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658360716 411356453 /nfs/dbraw/zinc/35/64/53/411356453.db2.gz JBHCPTSWZGMOHJ-OFQRWUPVSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658360717 411356467 /nfs/dbraw/zinc/35/64/67/411356467.db2.gz JBHCPTSWZGMOHJ-SQWLQELKSA-N 1 0 249.398 3.523 20 0 BHADRO CCCC(CCC)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658361588 411357025 /nfs/dbraw/zinc/35/70/25/411357025.db2.gz NXIHABGFQIAYHX-BBRMVZONSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658361589 411356647 /nfs/dbraw/zinc/35/66/47/411356647.db2.gz NXIHABGFQIAYHX-CJNGLKHVSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658361590 411356596 /nfs/dbraw/zinc/35/65/96/411356596.db2.gz NXIHABGFQIAYHX-CZUORRHYSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658361691 411356332 /nfs/dbraw/zinc/35/63/32/411356332.db2.gz NXIHABGFQIAYHX-XJKSGUPXSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658362141 411356556 /nfs/dbraw/zinc/35/65/56/411356556.db2.gz PLPHJNPBXQXTML-BPUTZDHNSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658362142 411356956 /nfs/dbraw/zinc/35/69/56/411356956.db2.gz PLPHJNPBXQXTML-CWRNSKLLSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658362143 411354772 /nfs/dbraw/zinc/35/47/72/411354772.db2.gz PLPHJNPBXQXTML-KBMXLJTQSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658362144 411354824 /nfs/dbraw/zinc/35/48/24/411354824.db2.gz PLPHJNPBXQXTML-VNQPRFMTSA-N 1 0 249.398 3.667 20 0 BHADRO COc1cccc([C@@H]2CCC[N@@H+]2CC=C(C)C)c1 ZINC000658691536 411359805 /nfs/dbraw/zinc/35/98/05/411359805.db2.gz ULWVGZFEEPZRSE-INIZCTEOSA-N 1 0 245.366 3.798 20 0 BHADRO COc1cccc([C@H]2CCC[N@@H+]2CC=C(C)C)c1 ZINC000658691537 411359591 /nfs/dbraw/zinc/35/95/91/411359591.db2.gz ULWVGZFEEPZRSE-MRXNPFEDSA-N 1 0 245.366 3.798 20 0 BHADRO COc1cccc([C@@H]2CCC[N@@H+]2CCC(C)C)c1 ZINC000658707698 411359403 /nfs/dbraw/zinc/35/94/03/411359403.db2.gz GAJBLSNFNLZTPI-INIZCTEOSA-N 1 0 247.382 3.878 20 0 BHADRO COc1cccc([C@H]2CCC[N@@H+]2CCC(C)C)c1 ZINC000658707700 411360405 /nfs/dbraw/zinc/36/04/05/411360405.db2.gz GAJBLSNFNLZTPI-MRXNPFEDSA-N 1 0 247.382 3.878 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000659812625 411460556 /nfs/dbraw/zinc/46/05/56/411460556.db2.gz CBIAKHHAKOUEPA-NSHDSACASA-N 1 0 235.293 3.617 20 0 BHADRO C[N@@H+](Cc1cc(C2CC2)no1)CC1CCCCC1 ZINC000659812724 411299873 /nfs/dbraw/zinc/29/98/73/411299873.db2.gz NAZYTSNILKLIEZ-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CCCC[N@H+](C)Cc1nsc2ccccc21 ZINC000659812982 411461751 /nfs/dbraw/zinc/46/17/51/411461751.db2.gz DPPWCFARFUNSNJ-UHFFFAOYSA-N 1 0 234.368 3.528 20 0 BHADRO COc1ccc([C@@H](C)[N@H+](C)CC2CC=CC2)cc1 ZINC000659814875 411301516 /nfs/dbraw/zinc/30/15/16/411301516.db2.gz VJNQLPIKLIOCJS-CYBMUJFWSA-N 1 0 245.366 3.654 20 0 BHADRO COc1ccc([C@H](C)[N@H+](C)CC2CC=CC2)cc1 ZINC000659814876 411301778 /nfs/dbraw/zinc/30/17/78/411301778.db2.gz VJNQLPIKLIOCJS-ZDUSSCGKSA-N 1 0 245.366 3.654 20 0 BHADRO CCCC[N@H+](C)CCc1nsc2ccccc21 ZINC000659815031 411301705 /nfs/dbraw/zinc/30/17/05/411301705.db2.gz ZIPJPWHTVIUDFF-UHFFFAOYSA-N 1 0 248.395 3.571 20 0 BHADRO CCCC[NH+](CCCC)Cc1nc(C)oc1C ZINC000659815578 411461495 /nfs/dbraw/zinc/46/14/95/411461495.db2.gz GYSMPGVKQWMKEH-UHFFFAOYSA-N 1 0 238.375 3.694 20 0 BHADRO C[N@H+](Cc1cc(C2CC2)no1)C1CCCCCC1 ZINC000659815974 411461827 /nfs/dbraw/zinc/46/18/27/411461827.db2.gz MWOFUXAXULPBIL-UHFFFAOYSA-N 1 0 248.370 3.707 20 0 BHADRO CCC[N@H+](C[C@H](CC)CC(F)F)CC1CC1 ZINC000659816038 411303114 /nfs/dbraw/zinc/30/31/14/411303114.db2.gz OGLMBWILLSSBKG-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO CCC[N@H+](C[C@@H](CC)CC(F)F)CC1CC1 ZINC000659816045 411303099 /nfs/dbraw/zinc/30/30/99/411303099.db2.gz OGLMBWILLSSBKG-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO CC[N@@H+](Cc1cccs1)CC1CC=CC1 ZINC000659816125 411302829 /nfs/dbraw/zinc/30/28/29/411302829.db2.gz OYUATBXLFDLIAZ-UHFFFAOYSA-N 1 0 221.369 3.536 20 0 BHADRO CCCC[N@H+](CC)C[C@H](CC)CC(F)F ZINC000659817096 411462772 /nfs/dbraw/zinc/46/27/72/411462772.db2.gz XULNOJKDAKFNTP-LLVKDONJSA-N 1 0 221.335 3.790 20 0 BHADRO CCCC[N@H+](CC)C[C@@H](CC)CC(F)F ZINC000659817102 411462509 /nfs/dbraw/zinc/46/25/09/411462509.db2.gz XULNOJKDAKFNTP-NSHDSACASA-N 1 0 221.335 3.790 20 0 BHADRO CC[N@@H+](Cc1cccs1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659817361 411463352 /nfs/dbraw/zinc/46/33/52/411463352.db2.gz YNTNFVQAYDVIFV-CLLJXQQHSA-N 1 0 235.396 3.616 20 0 BHADRO CSc1cccc(C[N@H+](C)Cc2ccco2)c1 ZINC000659817364 411462548 /nfs/dbraw/zinc/46/25/48/411462548.db2.gz YRTGBNNUQMTVEU-UHFFFAOYSA-N 1 0 247.363 3.634 20 0 BHADRO C[N@@H+](Cc1ccc(Cl)s1)CC1CC=CC1 ZINC000659817787 411462417 /nfs/dbraw/zinc/46/24/17/411462417.db2.gz PHZWQHZFHGMUDI-UHFFFAOYSA-N 1 0 241.787 3.800 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2CC2CC=CC2)c1 ZINC000659817983 411462829 /nfs/dbraw/zinc/46/28/29/411462829.db2.gz SDEGYVUYWSEPAS-CYBMUJFWSA-N 1 0 233.380 3.851 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2CC2CC=CC2)c1 ZINC000659817984 411462670 /nfs/dbraw/zinc/46/26/70/411462670.db2.gz SDEGYVUYWSEPAS-ZDUSSCGKSA-N 1 0 233.380 3.851 20 0 BHADRO CC(C)=CCC[N@@H+](C)Cc1ccsc1 ZINC000659821014 411463296 /nfs/dbraw/zinc/46/32/96/411463296.db2.gz LIWAIDXVUPMLKX-UHFFFAOYSA-N 1 0 209.358 3.536 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CC1CC=CC1 ZINC000659821429 411305561 /nfs/dbraw/zinc/30/55/61/411305561.db2.gz MHNQUUZKXLJWSG-CYBMUJFWSA-N 1 0 215.340 3.646 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CC1CC=CC1 ZINC000659821434 411305953 /nfs/dbraw/zinc/30/59/53/411305953.db2.gz MHNQUUZKXLJWSG-ZDUSSCGKSA-N 1 0 215.340 3.646 20 0 BHADRO c1csc(C[N@@H+](CC2CC=CC2)C2CC2)c1 ZINC000659821535 411462755 /nfs/dbraw/zinc/46/27/55/411462755.db2.gz NJXGKIIXQZJJAE-UHFFFAOYSA-N 1 0 233.380 3.679 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000659822287 411305284 /nfs/dbraw/zinc/30/52/84/411305284.db2.gz RZIOIGIVONGMGE-HUUCEWRRSA-N 1 0 243.375 3.736 20 0 BHADRO CC1CCC([N@H+](C)Cc2cc(C3CC3)no2)CC1 ZINC000659822391 411463888 /nfs/dbraw/zinc/46/38/88/411463888.db2.gz STVFDJRAZLGHBD-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)Cc1ccsc1 ZINC000659823140 411464425 /nfs/dbraw/zinc/46/44/25/411464425.db2.gz YZFYOGIWGFTWNK-JTQLQIEISA-N 1 0 247.354 3.861 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)Cc1ccsc1 ZINC000659823141 411463653 /nfs/dbraw/zinc/46/36/53/411463653.db2.gz YZFYOGIWGFTWNK-SNVBAGLBSA-N 1 0 247.354 3.861 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C1CCCC1 ZINC000659823795 411463790 /nfs/dbraw/zinc/46/37/90/411463790.db2.gz KBXFPVNLBCXKOJ-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C1CCCC1 ZINC000659823797 411463687 /nfs/dbraw/zinc/46/36/87/411463687.db2.gz KBXFPVNLBCXKOJ-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)[C@H](C)C(C)C ZINC000659824233 411307363 /nfs/dbraw/zinc/30/73/63/411307363.db2.gz AMFDSRGSAHYKKI-GHMZBOCLSA-N 1 0 221.335 3.644 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)[C@H](C)C(C)C ZINC000659824235 411307292 /nfs/dbraw/zinc/30/72/92/411307292.db2.gz AMFDSRGSAHYKKI-MNOVXSKESA-N 1 0 221.335 3.644 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)[C@@H](C)C(C)C ZINC000659824237 411307276 /nfs/dbraw/zinc/30/72/76/411307276.db2.gz AMFDSRGSAHYKKI-QWRGUYRKSA-N 1 0 221.335 3.644 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)[C@@H](C)C(C)C ZINC000659824240 411307341 /nfs/dbraw/zinc/30/73/41/411307341.db2.gz AMFDSRGSAHYKKI-WDEREUQCSA-N 1 0 221.335 3.644 20 0 BHADRO C[N@H+](Cc1nsc2ccccc21)C1CCCC1 ZINC000659824851 411307914 /nfs/dbraw/zinc/30/79/14/411307914.db2.gz YVEMBWDEZTVSHF-UHFFFAOYSA-N 1 0 246.379 3.671 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](CC)C1 ZINC000659824896 411464284 /nfs/dbraw/zinc/46/42/84/411464284.db2.gz IWTPVFRAVLZRGH-NEPJUHHUSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](CC)C1 ZINC000659824898 411464250 /nfs/dbraw/zinc/46/42/50/411464250.db2.gz IWTPVFRAVLZRGH-NWDGAFQWSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](CC)C1 ZINC000659824900 411463807 /nfs/dbraw/zinc/46/38/07/411463807.db2.gz IWTPVFRAVLZRGH-RYUDHWBXSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](CC)C1 ZINC000659824901 411463835 /nfs/dbraw/zinc/46/38/35/411463835.db2.gz IWTPVFRAVLZRGH-VXGBXAGGSA-N 1 0 233.346 3.790 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000659825154 411464252 /nfs/dbraw/zinc/46/42/52/411464252.db2.gz ORFHWWRXGBLCST-LLVKDONJSA-N 1 0 248.395 3.773 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000659825155 411464391 /nfs/dbraw/zinc/46/43/91/411464391.db2.gz ORFHWWRXGBLCST-NSHDSACASA-N 1 0 248.395 3.773 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1nsc2ccccc21 ZINC000659825487 411308011 /nfs/dbraw/zinc/30/80/11/411308011.db2.gz BDGMEXDOSXGPQV-JTQLQIEISA-N 1 0 246.379 3.527 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1nsc2ccccc21 ZINC000659825488 411307988 /nfs/dbraw/zinc/30/79/88/411307988.db2.gz BDGMEXDOSXGPQV-SNVBAGLBSA-N 1 0 246.379 3.527 20 0 BHADRO CC(C)=CCC[N@@H+](C)Cc1cccs1 ZINC000659826515 411309383 /nfs/dbraw/zinc/30/93/83/411309383.db2.gz MRJULOSMICPDPE-UHFFFAOYSA-N 1 0 209.358 3.536 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)Cc1ccccc1 ZINC000659826600 411309652 /nfs/dbraw/zinc/30/96/52/411309652.db2.gz IQYWGQYSQGSUST-GFCCVEGCSA-N 1 0 241.325 3.800 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)Cc1ccccc1 ZINC000659826607 411309172 /nfs/dbraw/zinc/30/91/72/411309172.db2.gz IQYWGQYSQGSUST-LBPRGKRZSA-N 1 0 241.325 3.800 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)Cc1ccc(C)o1 ZINC000659826897 411465269 /nfs/dbraw/zinc/46/52/69/411465269.db2.gz LFRFROTYYXYZHR-LLVKDONJSA-N 1 0 245.313 3.701 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)Cc1ccc(C)o1 ZINC000659826898 411465678 /nfs/dbraw/zinc/46/56/78/411465678.db2.gz LFRFROTYYXYZHR-NSHDSACASA-N 1 0 245.313 3.701 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)Cc1cccs1 ZINC000659827120 411310309 /nfs/dbraw/zinc/31/03/09/411310309.db2.gz UBWDDQLHTBGWCV-JTQLQIEISA-N 1 0 247.354 3.861 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)Cc1cccs1 ZINC000659827122 411310759 /nfs/dbraw/zinc/31/07/59/411310759.db2.gz UBWDDQLHTBGWCV-SNVBAGLBSA-N 1 0 247.354 3.861 20 0 BHADRO CC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000659827617 411310104 /nfs/dbraw/zinc/31/01/04/411310104.db2.gz ACIMOZGKYZDELE-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO CSc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000659827834 411466248 /nfs/dbraw/zinc/46/62/48/411466248.db2.gz YUGPLXZCMATNOB-LLVKDONJSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000659827835 411466719 /nfs/dbraw/zinc/46/67/19/411466719.db2.gz YUGPLXZCMATNOB-NSHDSACASA-N 1 0 235.396 3.639 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1nsc2ccccc21 ZINC000659828443 411466530 /nfs/dbraw/zinc/46/65/30/411466530.db2.gz DHHSHQLTEYJLNL-LLVKDONJSA-N 1 0 246.379 3.671 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1nsc2ccccc21 ZINC000659828444 411467022 /nfs/dbraw/zinc/46/70/22/411467022.db2.gz DHHSHQLTEYJLNL-NSHDSACASA-N 1 0 246.379 3.671 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659829503 411312215 /nfs/dbraw/zinc/31/22/15/411312215.db2.gz ROBLTIIOECQTBC-LLVKDONJSA-N 1 0 246.379 3.528 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659829504 411312297 /nfs/dbraw/zinc/31/22/97/411312297.db2.gz ROBLTIIOECQTBC-NSHDSACASA-N 1 0 246.379 3.528 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C1CCCCC1 ZINC000659829877 411313394 /nfs/dbraw/zinc/31/33/94/411313394.db2.gz WCMDGQGQSGEQGN-LLVKDONJSA-N 1 0 233.346 3.932 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C1CCCCC1 ZINC000659829878 411313464 /nfs/dbraw/zinc/31/34/64/411313464.db2.gz WCMDGQGQSGEQGN-NSHDSACASA-N 1 0 233.346 3.932 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C ZINC000659829945 411466832 /nfs/dbraw/zinc/46/68/32/411466832.db2.gz XJGOTDJTPCVFMH-GHMZBOCLSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C ZINC000659829946 411467028 /nfs/dbraw/zinc/46/70/28/411467028.db2.gz XJGOTDJTPCVFMH-MNOVXSKESA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1C ZINC000659829947 411466926 /nfs/dbraw/zinc/46/69/26/411466926.db2.gz XJGOTDJTPCVFMH-QWRGUYRKSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1C ZINC000659829948 411466982 /nfs/dbraw/zinc/46/69/82/411466982.db2.gz XJGOTDJTPCVFMH-WDEREUQCSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1CCCCCC1 ZINC000659831162 411468047 /nfs/dbraw/zinc/46/80/47/411468047.db2.gz DSDGBIKCJQPBGV-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+]1CCCCCC1 ZINC000659831163 411467821 /nfs/dbraw/zinc/46/78/21/411467821.db2.gz DSDGBIKCJQPBGV-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO c1ccc2c(C[NH+]3CCCCCC3)nsc2c1 ZINC000659832170 411468013 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CCC[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000659999973 411525447 /nfs/dbraw/zinc/52/54/47/411525447.db2.gz JTLIFRYTUMODBG-LBPRGKRZSA-N 1 0 248.370 3.564 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000660000611 411526438 /nfs/dbraw/zinc/52/64/38/411526438.db2.gz YVPZTICXGWZOIS-AXFHLTTASA-N 1 0 219.319 3.541 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000660000612 411526778 /nfs/dbraw/zinc/52/67/78/411526778.db2.gz YVPZTICXGWZOIS-GARJFASQSA-N 1 0 219.319 3.541 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1[C@H](C)CC[C@H]1C ZINC000660000613 411526637 /nfs/dbraw/zinc/52/66/37/411526637.db2.gz YVPZTICXGWZOIS-GMTAPVOTSA-N 1 0 219.319 3.541 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000660000614 411526443 /nfs/dbraw/zinc/52/64/43/411526443.db2.gz YVPZTICXGWZOIS-OUAUKWLOSA-N 1 0 219.319 3.541 20 0 BHADRO CC(C)=CCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000660001026 411526161 /nfs/dbraw/zinc/52/61/61/411526161.db2.gz KUOAENDBRNMTHG-UHFFFAOYSA-N 1 0 239.403 3.622 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC2CCC2)n1 ZINC000660011059 411173785 /nfs/dbraw/zinc/17/37/85/411173785.db2.gz DQHGZFLFPYOGJY-INIZCTEOSA-N 1 0 244.382 3.717 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC2CCC2)n1 ZINC000660011066 411173817 /nfs/dbraw/zinc/17/38/17/411173817.db2.gz DQHGZFLFPYOGJY-MRXNPFEDSA-N 1 0 244.382 3.717 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC000660012977 411174441 /nfs/dbraw/zinc/17/44/41/411174441.db2.gz OGLAQUWCKBFIAA-AWEZNQCLSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC000660012978 411174429 /nfs/dbraw/zinc/17/44/29/411174429.db2.gz OGLAQUWCKBFIAA-CQSZACIVSA-N 1 0 236.359 3.528 20 0 BHADRO CC(C)=CCC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000660013309 411528783 /nfs/dbraw/zinc/52/87/83/411528783.db2.gz IXJIJBIYHAWXML-AWEZNQCLSA-N 1 0 247.382 3.611 20 0 BHADRO CC(C)=CCC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000660013310 411528701 /nfs/dbraw/zinc/52/87/01/411528701.db2.gz IXJIJBIYHAWXML-CQSZACIVSA-N 1 0 247.382 3.611 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000660013632 411175116 /nfs/dbraw/zinc/17/51/16/411175116.db2.gz ROAIGYAVRZKNJM-INIZCTEOSA-N 1 0 244.382 3.883 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000660013633 411175316 /nfs/dbraw/zinc/17/53/16/411175316.db2.gz ROAIGYAVRZKNJM-MRXNPFEDSA-N 1 0 244.382 3.883 20 0 BHADRO FC(F)C1CC[NH+](CCCC2CCC2)CC1 ZINC000660016417 411528517 /nfs/dbraw/zinc/52/85/17/411528517.db2.gz XUDQEFACGHKXQU-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)=CCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000660022187 411529369 /nfs/dbraw/zinc/52/93/69/411529369.db2.gz SHLSVTSVZAIQGH-HNNXBMFYSA-N 1 0 232.371 3.518 20 0 BHADRO CC(C)=CCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000660022188 411180252 /nfs/dbraw/zinc/18/02/52/411180252.db2.gz SHLSVTSVZAIQGH-OAHLLOKOSA-N 1 0 232.371 3.518 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC1CC1)C(C)C ZINC000660032223 411530184 /nfs/dbraw/zinc/53/01/84/411530184.db2.gz ZMQOOOJBNWWOBS-LLVKDONJSA-N 1 0 233.346 3.788 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](CC1CC1)C(C)C ZINC000660032224 411530322 /nfs/dbraw/zinc/53/03/22/411530322.db2.gz ZMQOOOJBNWWOBS-NSHDSACASA-N 1 0 233.346 3.788 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000660032742 487568254 /nfs/dbraw/zinc/56/82/54/487568254.db2.gz QTYHTCYHQGGYEM-CTASWTNQSA-N 1 0 244.382 3.588 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000660032745 487568598 /nfs/dbraw/zinc/56/85/98/487568598.db2.gz QTYHTCYHQGGYEM-NYTXWWLZSA-N 1 0 244.382 3.588 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000660032762 411530396 /nfs/dbraw/zinc/53/03/96/411530396.db2.gz RDVOSJHRQDGEAT-AWEZNQCLSA-N 1 0 218.344 3.508 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000660032763 411530301 /nfs/dbraw/zinc/53/03/01/411530301.db2.gz RDVOSJHRQDGEAT-CQSZACIVSA-N 1 0 218.344 3.508 20 0 BHADRO c1c[nH]c([C@@H]2CCC[N@H+]2CCCC2CCC2)c1 ZINC000660032768 411530164 /nfs/dbraw/zinc/53/01/64/411530164.db2.gz REZXRXAYWUVXDD-HNNXBMFYSA-N 1 0 232.371 3.732 20 0 BHADRO c1c[nH]c([C@H]2CCC[N@H+]2CCCC2CCC2)c1 ZINC000660032769 411530358 /nfs/dbraw/zinc/53/03/58/411530358.db2.gz REZXRXAYWUVXDD-OAHLLOKOSA-N 1 0 232.371 3.732 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000660035864 411530430 /nfs/dbraw/zinc/53/04/30/411530430.db2.gz FCYOJSPCFOZOAO-INIZCTEOSA-N 1 0 245.366 3.885 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000660035865 411529918 /nfs/dbraw/zinc/52/99/18/411529918.db2.gz FCYOJSPCFOZOAO-MRXNPFEDSA-N 1 0 245.366 3.885 20 0 BHADRO Oc1ccc([C@@H]2CCC[N@@H+]2CCC2CCC2)cc1 ZINC000660036496 411530387 /nfs/dbraw/zinc/53/03/87/411530387.db2.gz PPDLMCKGIYMQBF-INIZCTEOSA-N 1 0 245.366 3.719 20 0 BHADRO Oc1ccc([C@H]2CCC[N@@H+]2CCC2CCC2)cc1 ZINC000660036497 411530253 /nfs/dbraw/zinc/53/02/53/411530253.db2.gz PPDLMCKGIYMQBF-MRXNPFEDSA-N 1 0 245.366 3.719 20 0 BHADRO CC(C)[N@H+](CC1CC=CC1)C1CCCC1 ZINC000660061575 411202910 /nfs/dbraw/zinc/20/29/10/411202910.db2.gz LUYVWDMBPLULBA-UHFFFAOYSA-N 1 0 207.361 3.606 20 0 BHADRO CC(C)[N@H+](Cc1cc(C2CC2)no1)C1CCCC1 ZINC000660062891 411532491 /nfs/dbraw/zinc/53/24/91/411532491.db2.gz ZOVTUDAORYRITB-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1Cl ZINC000660063572 411532703 /nfs/dbraw/zinc/53/27/03/411532703.db2.gz OAZYFIBOKRCBDB-JTQLQIEISA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1Cl ZINC000660063573 411532695 /nfs/dbraw/zinc/53/26/95/411532695.db2.gz OAZYFIBOKRCBDB-SNVBAGLBSA-N 1 0 241.762 3.579 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1cccc(SC)c1 ZINC000660063925 411532367 /nfs/dbraw/zinc/53/23/67/411532367.db2.gz QTWKMXODDJHZTO-LLVKDONJSA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1cccc(SC)c1 ZINC000660063927 411532391 /nfs/dbraw/zinc/53/23/91/411532391.db2.gz QTWKMXODDJHZTO-NSHDSACASA-N 1 0 223.385 3.639 20 0 BHADRO CC[C@@H](C)[N@H+](C)CCc1nsc2ccccc21 ZINC000660063999 411532749 /nfs/dbraw/zinc/53/27/49/411532749.db2.gz RPHWQUXXGOAGIZ-LLVKDONJSA-N 1 0 248.395 3.569 20 0 BHADRO CC[C@H](C)[N@H+](C)CCc1nsc2ccccc21 ZINC000660064008 411532580 /nfs/dbraw/zinc/53/25/80/411532580.db2.gz RPHWQUXXGOAGIZ-NSHDSACASA-N 1 0 248.395 3.569 20 0 BHADRO CC[C@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000660064042 411532307 /nfs/dbraw/zinc/53/23/07/411532307.db2.gz SBUAEMNYCRGCMT-JTQLQIEISA-N 1 0 234.368 3.527 20 0 BHADRO CC[C@@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000660064044 411532212 /nfs/dbraw/zinc/53/22/12/411532212.db2.gz SBUAEMNYCRGCMT-SNVBAGLBSA-N 1 0 234.368 3.527 20 0 BHADRO CC(C)=CCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000660072496 411216134 /nfs/dbraw/zinc/21/61/34/411216134.db2.gz YOGRTYUXYLGZMH-CYBMUJFWSA-N 1 0 233.355 3.741 20 0 BHADRO CC(C)=CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000660072497 411216000 /nfs/dbraw/zinc/21/60/00/411216000.db2.gz YOGRTYUXYLGZMH-ZDUSSCGKSA-N 1 0 233.355 3.741 20 0 BHADRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC1CCC1 ZINC000660072547 411217459 /nfs/dbraw/zinc/21/74/59/411217459.db2.gz ZUMIJFNPMVLLTK-GFCCVEGCSA-N 1 0 233.355 3.575 20 0 BHADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC1CCC1 ZINC000660072548 411217936 /nfs/dbraw/zinc/21/79/36/411217936.db2.gz ZUMIJFNPMVLLTK-LBPRGKRZSA-N 1 0 233.355 3.575 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C(C)(C)CC ZINC000660074178 411533320 /nfs/dbraw/zinc/53/33/20/411533320.db2.gz MUFZOZIQULGVCD-JTQLQIEISA-N 1 0 221.335 3.788 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C(C)(C)CC ZINC000660074179 411533165 /nfs/dbraw/zinc/53/31/65/411533165.db2.gz MUFZOZIQULGVCD-SNVBAGLBSA-N 1 0 221.335 3.788 20 0 BHADRO CC(C)([NH2+]CCCC1CCC1)c1nccs1 ZINC000660074464 411533305 /nfs/dbraw/zinc/53/33/05/411533305.db2.gz NOQPUWSGYDGRKG-UHFFFAOYSA-N 1 0 238.400 3.548 20 0 BHADRO CC(C)=CCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000660074990 411533525 /nfs/dbraw/zinc/53/35/25/411533525.db2.gz UAUCAHMLQVHBKE-UHFFFAOYSA-N 1 0 238.400 3.633 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1nsc2ccccc21 ZINC000660075279 411533275 /nfs/dbraw/zinc/53/32/75/411533275.db2.gz ZQVFUUNDGBBXDR-UHFFFAOYSA-N 1 0 248.395 3.917 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]CC1CC=CC1)C(C)C ZINC000660075303 411533718 /nfs/dbraw/zinc/53/37/18/411533718.db2.gz WTRMHXXMMPAQBA-HNNXBMFYSA-N 1 0 244.382 3.643 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]CC1CC=CC1)C(C)C ZINC000660075304 411533357 /nfs/dbraw/zinc/53/33/57/411533357.db2.gz WTRMHXXMMPAQBA-OAHLLOKOSA-N 1 0 244.382 3.643 20 0 BHADRO CC[C@H](CC(F)F)C[NH+](CC1CC1)CC1CC1 ZINC000660075317 411533119 /nfs/dbraw/zinc/53/31/19/411533119.db2.gz XDVKWJWIHYBFLH-LLVKDONJSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+](CC1CC1)CC1CC1 ZINC000660075318 411533114 /nfs/dbraw/zinc/53/31/14/411533114.db2.gz XDVKWJWIHYBFLH-NSHDSACASA-N 1 0 245.357 3.790 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+]CCC1CCC1)C(C)C ZINC000660075602 411533180 /nfs/dbraw/zinc/53/31/80/411533180.db2.gz ZBNFTWSDCCXSNQ-HNNXBMFYSA-N 1 0 246.398 3.867 20 0 BHADRO Cc1cccnc1[C@H]([NH2+]CCC1CCC1)C(C)C ZINC000660075606 411533549 /nfs/dbraw/zinc/53/35/49/411533549.db2.gz ZBNFTWSDCCXSNQ-OAHLLOKOSA-N 1 0 246.398 3.867 20 0 BHADRO C[C@H]([NH2+]Cc1nsc2ccccc12)C(C)(C)C ZINC000660076758 411534011 /nfs/dbraw/zinc/53/40/11/411534011.db2.gz OORFKMAGTOVBCY-JTQLQIEISA-N 1 0 248.395 3.821 20 0 BHADRO C[C@@H]([NH2+]Cc1nsc2ccccc12)C(C)(C)C ZINC000660076759 411534079 /nfs/dbraw/zinc/53/40/79/411534079.db2.gz OORFKMAGTOVBCY-SNVBAGLBSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@@](C)([NH2+]CCC=C(C)C)c1nccs1 ZINC000660079163 411534646 /nfs/dbraw/zinc/53/46/46/411534646.db2.gz ALGCXLVAPULZIH-CYBMUJFWSA-N 1 0 238.400 3.714 20 0 BHADRO CC[C@](C)([NH2+]CCC=C(C)C)c1nccs1 ZINC000660079164 411534066 /nfs/dbraw/zinc/53/40/66/411534066.db2.gz ALGCXLVAPULZIH-ZDUSSCGKSA-N 1 0 238.400 3.714 20 0 BHADRO CC[C@@](C)([NH2+]CCC1CCC1)c1nccs1 ZINC000660079749 411534951 /nfs/dbraw/zinc/53/49/51/411534951.db2.gz RLKDCFYLVHBLBZ-CYBMUJFWSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@](C)([NH2+]CCC1CCC1)c1nccs1 ZINC000660079750 411534058 /nfs/dbraw/zinc/53/40/58/411534058.db2.gz RLKDCFYLVHBLBZ-ZDUSSCGKSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C(C)C)C1CCC1 ZINC000660080056 411534171 /nfs/dbraw/zinc/53/41/71/411534171.db2.gz VOWPFJALZSEDLE-LLVKDONJSA-N 1 0 233.346 3.931 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C(C)C)C1CCC1 ZINC000660080057 411534946 /nfs/dbraw/zinc/53/49/46/411534946.db2.gz VOWPFJALZSEDLE-NSHDSACASA-N 1 0 233.346 3.931 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000660081684 411535204 /nfs/dbraw/zinc/53/52/04/411535204.db2.gz ODMXSKROFIABPX-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000660096948 411537414 /nfs/dbraw/zinc/53/74/14/411537414.db2.gz FUIHGPOVKYQEIE-FQUUOJAGSA-N 1 0 245.366 3.851 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000660096951 411537278 /nfs/dbraw/zinc/53/72/78/411537278.db2.gz FUIHGPOVKYQEIE-YIYPIFLZSA-N 1 0 245.366 3.851 20 0 BHADRO C[C@H](c1ccco1)[N@H+](CC1CC=CC1)C1CC1 ZINC000660097158 411230550 /nfs/dbraw/zinc/23/05/50/411230550.db2.gz JAHPCMSRZQODJJ-GFCCVEGCSA-N 1 0 231.339 3.771 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](CC1CC=CC1)C1CC1 ZINC000660097159 411230536 /nfs/dbraw/zinc/23/05/36/411230536.db2.gz JAHPCMSRZQODJJ-LBPRGKRZSA-N 1 0 231.339 3.771 20 0 BHADRO CC(C)=CCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000660099738 411536935 /nfs/dbraw/zinc/53/69/35/411536935.db2.gz IHPUIVXWRKEUMR-UHFFFAOYSA-N 1 0 244.338 3.616 20 0 BHADRO C[N@H+](CCC1CC1)Cc1nsc2ccccc21 ZINC000660118825 411238644 /nfs/dbraw/zinc/23/86/44/411238644.db2.gz XFQJXUNCXHYQMW-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO CC(C)=CCC[NH+]1CCC(c2ccccn2)CC1 ZINC000660124751 411243018 /nfs/dbraw/zinc/24/30/18/411243018.db2.gz JSOAOULNHSJNCM-UHFFFAOYSA-N 1 0 244.382 3.617 20 0 BHADRO CSc1cccc(C[N@H+]2CC=C(C)CC2)c1 ZINC000660127796 411542418 /nfs/dbraw/zinc/54/24/18/411542418.db2.gz PTGIDIFRTPIHBP-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CC(C)=CCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000660129261 411542264 /nfs/dbraw/zinc/54/22/64/411542264.db2.gz FYGVKEIVXRTRJW-UHFFFAOYSA-N 1 0 233.277 3.537 20 0 BHADRO CCc1nocc1C[N@@H+]1CCCC12CCCCC2 ZINC000660133368 411542734 /nfs/dbraw/zinc/54/27/34/411542734.db2.gz PMXIDJGBJGQXKU-UHFFFAOYSA-N 1 0 248.370 3.536 20 0 BHADRO Cc1nc(C[N@@H+]2CCCC23CCCCC3)c(C)o1 ZINC000660134340 411542676 /nfs/dbraw/zinc/54/26/76/411542676.db2.gz YBLQWFGUZUNZDC-UHFFFAOYSA-N 1 0 248.370 3.590 20 0 BHADRO c1cc([C@@H]2CCC[N@H+]2CCCC2CCC2)ccn1 ZINC000660135706 411542693 /nfs/dbraw/zinc/54/26/93/411542693.db2.gz DASSQKBMKWBCGV-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cc([C@H]2CCC[N@H+]2CCCC2CCC2)ccn1 ZINC000660135707 411543298 /nfs/dbraw/zinc/54/32/98/411543298.db2.gz DASSQKBMKWBCGV-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000660136585 411543599 /nfs/dbraw/zinc/54/35/99/411543599.db2.gz DBOQTSDHLXGIFV-HNNXBMFYSA-N 1 0 230.355 3.575 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000660136586 411543409 /nfs/dbraw/zinc/54/34/09/411543409.db2.gz DBOQTSDHLXGIFV-OAHLLOKOSA-N 1 0 230.355 3.575 20 0 BHADRO c1cc(C[N@@H+](CCCC2CCC2)C2CC2)ccn1 ZINC000660137563 411543689 /nfs/dbraw/zinc/54/36/89/411543689.db2.gz KUHNKTKYMXOFKF-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000660138216 411543985 /nfs/dbraw/zinc/54/39/85/411543985.db2.gz QHMMKJSECXRGOB-HNNXBMFYSA-N 1 0 230.355 3.575 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000660138217 411544216 /nfs/dbraw/zinc/54/42/16/411544216.db2.gz QHMMKJSECXRGOB-OAHLLOKOSA-N 1 0 230.355 3.575 20 0 BHADRO c1cncc(C[N@@H+](CCCC2CCC2)C2CC2)c1 ZINC000660138494 411543706 /nfs/dbraw/zinc/54/37/06/411543706.db2.gz VNWQXAUWDYXAOF-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO c1cncc([C@@H]2CCC[N@H+]2CCCC2CCC2)c1 ZINC000660138776 411254399 /nfs/dbraw/zinc/25/43/99/411254399.db2.gz ZRIGELVVZLDWGM-INIZCTEOSA-N 1 0 244.382 3.799 20 0 BHADRO c1cncc([C@H]2CCC[N@H+]2CCCC2CCC2)c1 ZINC000660138778 411254594 /nfs/dbraw/zinc/25/45/94/411254594.db2.gz ZRIGELVVZLDWGM-MRXNPFEDSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660139561 411254482 /nfs/dbraw/zinc/25/44/82/411254482.db2.gz CLFWHTUSOAHIGN-LUYZLQTOSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660139564 487678961 /nfs/dbraw/zinc/67/89/61/487678961.db2.gz CLFWHTUSOAHIGN-XOUADPBQSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CCCC1CCC1 ZINC000660140087 411255524 /nfs/dbraw/zinc/25/55/24/411255524.db2.gz JCQIQCIWTJELPW-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CCCC1CCC1 ZINC000660140090 411255511 /nfs/dbraw/zinc/25/55/11/411255511.db2.gz JCQIQCIWTJELPW-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660140743 411543875 /nfs/dbraw/zinc/54/38/75/411543875.db2.gz PNCQKDFBAAJXGK-APIJFGDWSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660140747 411543917 /nfs/dbraw/zinc/54/39/17/411543917.db2.gz PNCQKDFBAAJXGK-TUVASFSCSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CCCC1CCC1 ZINC000660141117 411543646 /nfs/dbraw/zinc/54/36/46/411543646.db2.gz UBDQBMHWNYSBDO-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CCCC1CCC1 ZINC000660141118 411544261 /nfs/dbraw/zinc/54/42/61/411544261.db2.gz UBDQBMHWNYSBDO-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCCC1CCC1 ZINC000660141257 411544146 /nfs/dbraw/zinc/54/41/46/411544146.db2.gz UILYQUYRWIYTBC-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCCC1CCC1 ZINC000660141260 411543822 /nfs/dbraw/zinc/54/38/22/411543822.db2.gz UILYQUYRWIYTBC-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660141621 411256085 /nfs/dbraw/zinc/25/60/85/411256085.db2.gz WEWZJLVMMUGAIC-HGTKMLMNSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660141651 411256535 /nfs/dbraw/zinc/25/65/35/411256535.db2.gz WEWZJLVMMUGAIC-KQTLUZQSSA-N 1 0 244.382 3.511 20 0 BHADRO Clc1sccc1C[NH+]1CCC2(CC2)CC1 ZINC000660144461 411544934 /nfs/dbraw/zinc/54/49/34/411544934.db2.gz CDXAMIQHEVPSRI-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1CCC2(CC2)CC1 ZINC000660145673 411545507 /nfs/dbraw/zinc/54/55/07/411545507.db2.gz VKLVTFSRCBAYHC-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+]1CCC2(CC2)CC1 ZINC000660145674 411545677 /nfs/dbraw/zinc/54/56/77/411545677.db2.gz VKLVTFSRCBAYHC-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660146254 411545503 /nfs/dbraw/zinc/54/55/03/411545503.db2.gz DGBWWFJSMZDRCE-SLBVQIDZSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660146255 411545627 /nfs/dbraw/zinc/54/56/27/411545627.db2.gz DGBWWFJSMZDRCE-UKMLZYKCSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC1CCC1 ZINC000660146706 411262564 /nfs/dbraw/zinc/26/25/64/411262564.db2.gz KTNNYUCCNZLHAJ-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCC1CCC1 ZINC000660146707 411262266 /nfs/dbraw/zinc/26/22/66/411262266.db2.gz KTNNYUCCNZLHAJ-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146753 411261379 /nfs/dbraw/zinc/26/13/79/411261379.db2.gz IUPCURXQSPYIKS-NEPJUHHUSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146754 411261690 /nfs/dbraw/zinc/26/16/90/411261690.db2.gz IUPCURXQSPYIKS-NWDGAFQWSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146755 411261543 /nfs/dbraw/zinc/26/15/43/411261543.db2.gz IUPCURXQSPYIKS-RYUDHWBXSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146756 411261394 /nfs/dbraw/zinc/26/13/94/411261394.db2.gz IUPCURXQSPYIKS-VXGBXAGGSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC=C(C)C ZINC000660147321 411263050 /nfs/dbraw/zinc/26/30/50/411263050.db2.gz UKCINQGMZAIRES-HNNXBMFYSA-N 1 0 232.371 3.821 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCC=C(C)C ZINC000660147330 411263101 /nfs/dbraw/zinc/26/31/01/411263101.db2.gz UKCINQGMZAIRES-OAHLLOKOSA-N 1 0 232.371 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000660147689 411546613 /nfs/dbraw/zinc/54/66/13/411546613.db2.gz PGHNKBQUKGLWMI-AWEZNQCLSA-N 1 0 247.386 3.520 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000660147690 411546526 /nfs/dbraw/zinc/54/65/26/411546526.db2.gz PGHNKBQUKGLWMI-CQSZACIVSA-N 1 0 247.386 3.520 20 0 BHADRO CC(C)=CCC[NH+]1CCC(c2cccnc2)CC1 ZINC000660159804 411269898 /nfs/dbraw/zinc/26/98/98/411269898.db2.gz FWSYOKMMQYDYOA-UHFFFAOYSA-N 1 0 244.382 3.617 20 0 BHADRO CC(C)[NH+](Cc1nsc2ccccc21)C(C)C ZINC000660168145 411550554 /nfs/dbraw/zinc/55/05/54/411550554.db2.gz GWRRCLOPXSMRBT-UHFFFAOYSA-N 1 0 248.395 3.915 20 0 BHADRO CC[C@H](CC(F)F)C[NH+](C(C)C)C(C)C ZINC000660168184 411550486 /nfs/dbraw/zinc/55/04/86/411550486.db2.gz IFWQGJJKZXJLCH-LLVKDONJSA-N 1 0 221.335 3.787 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+](C(C)C)C(C)C ZINC000660168185 411551390 /nfs/dbraw/zinc/55/13/90/411551390.db2.gz IFWQGJJKZXJLCH-NSHDSACASA-N 1 0 221.335 3.787 20 0 BHADRO c1ccc(C[N@@H+](CCCC2CCC2)C2CC2)nc1 ZINC000660168448 411551500 /nfs/dbraw/zinc/55/15/00/411551500.db2.gz RDQFAZQKGNUDDB-UHFFFAOYSA-N 1 0 244.382 3.626 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(F)c(F)c1 ZINC000660174696 411281532 /nfs/dbraw/zinc/28/15/32/411281532.db2.gz JIFYDDAGAXXQCQ-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(F)c(F)c1 ZINC000660174698 411281515 /nfs/dbraw/zinc/28/15/15/411281515.db2.gz JIFYDDAGAXXQCQ-SNVBAGLBSA-N 1 0 237.293 3.582 20 0 BHADRO c1csc([C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)c1 ZINC000660174926 411551759 /nfs/dbraw/zinc/55/17/59/411551759.db2.gz CYZULDPXZLQXPD-CQROYNQRSA-N 1 0 247.407 3.835 20 0 BHADRO c1csc([C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)c1 ZINC000660174928 411551797 /nfs/dbraw/zinc/55/17/97/411551797.db2.gz CYZULDPXZLQXPD-QJZXMWHDSA-N 1 0 247.407 3.835 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1ccc(OC)cc1 ZINC000660175285 411282043 /nfs/dbraw/zinc/28/20/43/411282043.db2.gz YITQWUGQADDILU-INIZCTEOSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccc(OC)cc1 ZINC000660175286 411282048 /nfs/dbraw/zinc/28/20/48/411282048.db2.gz YITQWUGQADDILU-MRXNPFEDSA-N 1 0 245.366 3.702 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660175389 411552074 /nfs/dbraw/zinc/55/20/74/411552074.db2.gz HHODZXYXUNSFDZ-CYBMUJFWSA-N 1 0 245.366 3.702 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660175391 411551881 /nfs/dbraw/zinc/55/18/81/411551881.db2.gz HHODZXYXUNSFDZ-ZDUSSCGKSA-N 1 0 245.366 3.702 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000660175578 411551979 /nfs/dbraw/zinc/55/19/79/411551979.db2.gz RSOPHCPAIWQTFL-CYBMUJFWSA-N 1 0 215.340 3.612 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000660175580 411282416 /nfs/dbraw/zinc/28/24/16/411282416.db2.gz RSOPHCPAIWQTFL-ZDUSSCGKSA-N 1 0 215.340 3.612 20 0 BHADRO c1csc([C@@H]([NH2+]CC2CC=CC2)C2CC2)c1 ZINC000660176168 411282828 /nfs/dbraw/zinc/28/28/28/411282828.db2.gz WSEGKEWPUCTLFV-AWEZNQCLSA-N 1 0 233.380 3.755 20 0 BHADRO c1csc([C@H]([NH2+]CC2CC=CC2)C2CC2)c1 ZINC000660176171 411282817 /nfs/dbraw/zinc/28/28/17/411282817.db2.gz WSEGKEWPUCTLFV-CQSZACIVSA-N 1 0 233.380 3.755 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1F ZINC000660176227 411282812 /nfs/dbraw/zinc/28/28/12/411282812.db2.gz YYMCGKXKJQRRPV-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1F ZINC000660176229 411282834 /nfs/dbraw/zinc/28/28/34/411282834.db2.gz YYMCGKXKJQRRPV-SNVBAGLBSA-N 1 0 237.293 3.582 20 0 BHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000660176232 411282820 /nfs/dbraw/zinc/28/28/20/411282820.db2.gz HUIGWQCVKXGJDL-CYBMUJFWSA-N 1 0 245.366 3.620 20 0 BHADRO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000660176233 411282842 /nfs/dbraw/zinc/28/28/42/411282842.db2.gz HUIGWQCVKXGJDL-ZDUSSCGKSA-N 1 0 245.366 3.620 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](OC)C1CCC1)c1ccccc1 ZINC000660177320 411284970 /nfs/dbraw/zinc/28/49/70/411284970.db2.gz HJBVTXVYYZWVFK-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@H](OC)C1CCC1)c1ccccc1 ZINC000660177324 411284952 /nfs/dbraw/zinc/28/49/52/411284952.db2.gz HJBVTXVYYZWVFK-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](OC)C1CCC1)c1ccccc1 ZINC000660177340 411284940 /nfs/dbraw/zinc/28/49/40/411284940.db2.gz HJBVTXVYYZWVFK-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](OC)C1CCC1)c1ccccc1 ZINC000660177346 411284966 /nfs/dbraw/zinc/28/49/66/411284966.db2.gz HJBVTXVYYZWVFK-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000660177649 411551890 /nfs/dbraw/zinc/55/18/90/411551890.db2.gz MADVPMKZJPKYLT-LLVKDONJSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+]Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000660177651 411551904 /nfs/dbraw/zinc/55/19/04/411551904.db2.gz MADVPMKZJPKYLT-NSHDSACASA-N 1 0 248.370 3.610 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000660178189 411551939 /nfs/dbraw/zinc/55/19/39/411551939.db2.gz CBKWBKOZOAIJIP-CYBMUJFWSA-N 1 0 245.366 3.702 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000660178190 411551953 /nfs/dbraw/zinc/55/19/53/411551953.db2.gz CBKWBKOZOAIJIP-ZDUSSCGKSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1ccccc1 ZINC000660178871 411552066 /nfs/dbraw/zinc/55/20/66/411552066.db2.gz VETDWWMSWBYYPC-HNNXBMFYSA-N 1 0 215.340 3.694 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccccc1 ZINC000660178873 411551954 /nfs/dbraw/zinc/55/19/54/411551954.db2.gz VETDWWMSWBYYPC-OAHLLOKOSA-N 1 0 215.340 3.694 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660178949 411551893 /nfs/dbraw/zinc/55/18/93/411551893.db2.gz WGHWOLMJMOCHMZ-CYBMUJFWSA-N 1 0 215.340 3.612 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660178950 411551787 /nfs/dbraw/zinc/55/17/87/411551787.db2.gz WGHWOLMJMOCHMZ-ZDUSSCGKSA-N 1 0 215.340 3.612 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccccc1 ZINC000660179391 411552681 /nfs/dbraw/zinc/55/26/81/411552681.db2.gz ZSFVSADLIONSJB-INIZCTEOSA-N 1 0 240.350 3.510 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccccc1 ZINC000660179392 411552459 /nfs/dbraw/zinc/55/24/59/411552459.db2.gz ZSFVSADLIONSJB-MRXNPFEDSA-N 1 0 240.350 3.510 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1F ZINC000660180372 411552288 /nfs/dbraw/zinc/55/22/88/411552288.db2.gz SNVBOLMCWOWISO-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1F ZINC000660180373 411552694 /nfs/dbraw/zinc/55/26/94/411552694.db2.gz SNVBOLMCWOWISO-SNVBAGLBSA-N 1 0 237.293 3.582 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CC2CC=CC2)c1 ZINC000660190132 411552531 /nfs/dbraw/zinc/55/25/31/411552531.db2.gz UCJDYRVXOJAFBS-CYBMUJFWSA-N 1 0 245.366 3.702 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CC2CC=CC2)c1 ZINC000660190133 411552329 /nfs/dbraw/zinc/55/23/29/411552329.db2.gz UCJDYRVXOJAFBS-ZDUSSCGKSA-N 1 0 245.366 3.702 20 0 BHADRO CC(C)=CCC[NH2+]C1(c2ccccc2)CC1 ZINC000660192202 411552518 /nfs/dbraw/zinc/55/25/18/411552518.db2.gz OATDWPSNZAKVPN-UHFFFAOYSA-N 1 0 215.340 3.622 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCCC1CCC1 ZINC000660194417 411292273 /nfs/dbraw/zinc/29/22/73/411292273.db2.gz HDPXEJCXMOXDKX-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCC1CCC1 ZINC000660194419 411292473 /nfs/dbraw/zinc/29/24/73/411292473.db2.gz HDPXEJCXMOXDKX-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)[C@@H](C)CC)CC(F)F ZINC000660196117 411294009 /nfs/dbraw/zinc/29/40/09/411294009.db2.gz GEJLNYDXNUEVQH-AXFHLTTASA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)[C@@H](C)CC)CC(F)F ZINC000660196118 411294013 /nfs/dbraw/zinc/29/40/13/411294013.db2.gz GEJLNYDXNUEVQH-DCAQKATOSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](CC)CC(F)F ZINC000660196119 411293882 /nfs/dbraw/zinc/29/38/82/411293882.db2.gz GEJLNYDXNUEVQH-MXWKQRLJSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](CC)CC(F)F ZINC000660196120 411293866 /nfs/dbraw/zinc/29/38/66/411293866.db2.gz GEJLNYDXNUEVQH-VWYCJHECSA-N 1 0 221.335 3.692 20 0 BHADRO CC(C)([NH2+]CC1CC=CC1)c1cccc(F)c1 ZINC000660196216 411293895 /nfs/dbraw/zinc/29/38/95/411293895.db2.gz HNOVVKDDWMDHBO-UHFFFAOYSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nsc2ccccc12 ZINC000660196945 411552798 /nfs/dbraw/zinc/55/27/98/411552798.db2.gz NBKRWMWDTAPKLJ-GHMZBOCLSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nsc2ccccc12 ZINC000660196946 411553175 /nfs/dbraw/zinc/55/31/75/411553175.db2.gz NBKRWMWDTAPKLJ-MNOVXSKESA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nsc2ccccc12 ZINC000660196947 411553089 /nfs/dbraw/zinc/55/30/89/411553089.db2.gz NBKRWMWDTAPKLJ-QWRGUYRKSA-N 1 0 248.395 3.821 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nsc2ccccc12 ZINC000660196948 411552908 /nfs/dbraw/zinc/55/29/08/411552908.db2.gz NBKRWMWDTAPKLJ-WDEREUQCSA-N 1 0 248.395 3.821 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1C ZINC000660197604 411552957 /nfs/dbraw/zinc/55/29/57/411552957.db2.gz RFUXNKBOAIGDGA-BPLDGKMQSA-N 1 0 247.382 3.522 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1C ZINC000660197605 411552939 /nfs/dbraw/zinc/55/29/39/411552939.db2.gz RFUXNKBOAIGDGA-VHDGCEQUSA-N 1 0 247.382 3.522 20 0 BHADRO COc1ccc(C2([NH2+]CCC=C(C)C)CC2)cc1 ZINC000660198040 411295115 /nfs/dbraw/zinc/29/51/15/411295115.db2.gz SEJHIYGNYIVNBI-UHFFFAOYSA-N 1 0 245.366 3.630 20 0 BHADRO COc1cccc(C2([NH2+]CCC=C(C)C)CC2)c1 ZINC000660198963 411553093 /nfs/dbraw/zinc/55/30/93/411553093.db2.gz AWRAVZMUUQGWTK-UHFFFAOYSA-N 1 0 245.366 3.630 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1cccc(F)c1F ZINC000660204448 411297370 /nfs/dbraw/zinc/29/73/70/411297370.db2.gz LNJYYSUQCCCOEN-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1cccc(F)c1F ZINC000660204449 411297240 /nfs/dbraw/zinc/29/72/40/411297240.db2.gz LNJYYSUQCCCOEN-SNVBAGLBSA-N 1 0 237.293 3.582 20 0 BHADRO C1=CCC(C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000660208499 411553976 /nfs/dbraw/zinc/55/39/76/411553976.db2.gz NIMBOPZYHYKBBY-INIZCTEOSA-N 1 0 227.351 3.694 20 0 BHADRO C1=CCC(C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000660208500 411554052 /nfs/dbraw/zinc/55/40/52/411554052.db2.gz NIMBOPZYHYKBBY-MRXNPFEDSA-N 1 0 227.351 3.694 20 0 BHADRO C1=CCC(C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000660211629 411554232 /nfs/dbraw/zinc/55/42/32/411554232.db2.gz KODWKZTXBYIZMU-KRWDZBQOSA-N 1 0 241.378 3.564 20 0 BHADRO C1=CCC(C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000660211636 411553991 /nfs/dbraw/zinc/55/39/91/411553991.db2.gz KODWKZTXBYIZMU-QGZVFWFLSA-N 1 0 241.378 3.564 20 0 BHADRO CC[C@@H](C[NH2+]C(C(C)C)C(C)C)CC(F)F ZINC000660212829 411554421 /nfs/dbraw/zinc/55/44/21/411554421.db2.gz MZDUZBUVVDQFDS-LLVKDONJSA-N 1 0 235.362 3.938 20 0 BHADRO CC[C@H](C[NH2+]C(C(C)C)C(C)C)CC(F)F ZINC000660212832 411554694 /nfs/dbraw/zinc/55/46/94/411554694.db2.gz MZDUZBUVVDQFDS-NSHDSACASA-N 1 0 235.362 3.938 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CC=CC1 ZINC000660216102 411554428 /nfs/dbraw/zinc/55/44/28/411554428.db2.gz YWQXMQQYSLMTIT-KBPBESRZSA-N 1 0 229.367 3.734 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)[C@@H](C)c1ccccc1 ZINC000660216104 411554286 /nfs/dbraw/zinc/55/42/86/411554286.db2.gz YWQXMQQYSLMTIT-KGLIPLIRSA-N 1 0 229.367 3.734 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)[C@H](C)c1ccccc1 ZINC000660216105 411554435 /nfs/dbraw/zinc/55/44/35/411554435.db2.gz YWQXMQQYSLMTIT-UONOGXRCSA-N 1 0 229.367 3.734 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)[C@@H](C)c1ccccc1 ZINC000660216107 411554281 /nfs/dbraw/zinc/55/42/81/411554281.db2.gz YWQXMQQYSLMTIT-ZIAGYGMSSA-N 1 0 229.367 3.734 20 0 BHADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC=CC1 ZINC000660234153 411557054 /nfs/dbraw/zinc/55/70/54/411557054.db2.gz JDMRVBFZTSCESX-CMPLNLGQSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC=CC1 ZINC000660234154 411556976 /nfs/dbraw/zinc/55/69/76/411556976.db2.gz JDMRVBFZTSCESX-JQWIXIFHSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC=CC1 ZINC000660234155 411556994 /nfs/dbraw/zinc/55/69/94/411556994.db2.gz JDMRVBFZTSCESX-PWSUYJOCSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC=CC1 ZINC000660234156 411556628 /nfs/dbraw/zinc/55/66/28/411556628.db2.gz JDMRVBFZTSCESX-ZYHUDNBSSA-N 1 0 247.304 3.615 20 0 BHADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC1CCC1 ZINC000660234426 411557021 /nfs/dbraw/zinc/55/70/21/411557021.db2.gz KFJCQJYMGZHYAO-CMPLNLGQSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC1CCC1 ZINC000660234427 411556966 /nfs/dbraw/zinc/55/69/66/411556966.db2.gz KFJCQJYMGZHYAO-JQWIXIFHSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC1CCC1 ZINC000660234428 411556957 /nfs/dbraw/zinc/55/69/57/411556957.db2.gz KFJCQJYMGZHYAO-PWSUYJOCSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC1CCC1 ZINC000660234429 411557136 /nfs/dbraw/zinc/55/71/36/411557136.db2.gz KFJCQJYMGZHYAO-ZYHUDNBSSA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)C[C@H]([NH2+]CC1CC=CC1)c1ccccn1 ZINC000660240557 411558583 /nfs/dbraw/zinc/55/85/83/411558583.db2.gz BDKMVVMNBUGECB-INIZCTEOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@@H]([NH2+]CC1CC=CC1)c1ccccn1 ZINC000660240559 411558482 /nfs/dbraw/zinc/55/84/82/411558482.db2.gz BDKMVVMNBUGECB-MRXNPFEDSA-N 1 0 244.382 3.725 20 0 BHADRO c1cncc([C@@H]([NH2+]CCCC2CCC2)C2CC2)c1 ZINC000660241876 411303953 /nfs/dbraw/zinc/30/39/53/411303953.db2.gz JZKRRPSROMGNDO-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cncc([C@H]([NH2+]CCCC2CCC2)C2CC2)c1 ZINC000660241877 411303918 /nfs/dbraw/zinc/30/39/18/411303918.db2.gz JZKRRPSROMGNDO-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CCC=C(C)C ZINC000660242289 411558523 /nfs/dbraw/zinc/55/85/23/411558523.db2.gz MQBBVDSLDFAHBL-CYBMUJFWSA-N 1 0 232.371 3.651 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CCC=C(C)C ZINC000660242291 411558589 /nfs/dbraw/zinc/55/85/89/411558589.db2.gz MQBBVDSLDFAHBL-ZDUSSCGKSA-N 1 0 232.371 3.651 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]CCCC1CCC1 ZINC000660242820 411558205 /nfs/dbraw/zinc/55/82/05/411558205.db2.gz QYPFLESTLRYNKL-CYBMUJFWSA-N 1 0 246.398 3.875 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]CCCC1CCC1 ZINC000660242821 411558395 /nfs/dbraw/zinc/55/83/95/411558395.db2.gz QYPFLESTLRYNKL-ZDUSSCGKSA-N 1 0 246.398 3.875 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000660248941 411559751 /nfs/dbraw/zinc/55/97/51/411559751.db2.gz VRTCNNJXIKQWQD-CHWSQXEVSA-N 1 0 245.357 3.956 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000660248942 411559532 /nfs/dbraw/zinc/55/95/32/411559532.db2.gz VRTCNNJXIKQWQD-OLZOCXBDSA-N 1 0 245.357 3.956 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000660248943 411559537 /nfs/dbraw/zinc/55/95/37/411559537.db2.gz VRTCNNJXIKQWQD-QWHCGFSZSA-N 1 0 245.357 3.956 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000660248944 411559642 /nfs/dbraw/zinc/55/96/42/411559642.db2.gz VRTCNNJXIKQWQD-STQMWFEESA-N 1 0 245.357 3.956 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1nc(C)cs1 ZINC000660251989 411320869 /nfs/dbraw/zinc/32/08/69/411320869.db2.gz FUKLYYASPPNICF-GFCCVEGCSA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1nc(C)cs1 ZINC000660251998 411320914 /nfs/dbraw/zinc/32/09/14/411320914.db2.gz FUKLYYASPPNICF-LBPRGKRZSA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1cccs1 ZINC000660252047 411560011 /nfs/dbraw/zinc/56/00/11/411560011.db2.gz GBVFNOBWOFEFQT-GFCCVEGCSA-N 1 0 221.369 3.755 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1cccs1 ZINC000660252049 411559871 /nfs/dbraw/zinc/55/98/71/411559871.db2.gz GBVFNOBWOFEFQT-LBPRGKRZSA-N 1 0 221.369 3.755 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1cccs1 ZINC000660253139 411333345 /nfs/dbraw/zinc/33/33/45/411333345.db2.gz LQWRCMHOMFJIGO-CYBMUJFWSA-N 1 0 246.379 3.571 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(N)c1)c1cccs1 ZINC000660253142 411333696 /nfs/dbraw/zinc/33/36/96/411333696.db2.gz LQWRCMHOMFJIGO-ZDUSSCGKSA-N 1 0 246.379 3.571 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CCC1)c1nccs1 ZINC000660253285 411560208 /nfs/dbraw/zinc/56/02/08/411560208.db2.gz GZKGWTSKPDPFIX-GFCCVEGCSA-N 1 0 238.400 3.764 20 0 BHADRO CC[C@H]([NH2+]CCCC1CCC1)c1nccs1 ZINC000660253286 411560374 /nfs/dbraw/zinc/56/03/74/411560374.db2.gz GZKGWTSKPDPFIX-LBPRGKRZSA-N 1 0 238.400 3.764 20 0 BHADRO CC(C)=CCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000660253750 411560020 /nfs/dbraw/zinc/56/00/20/411560020.db2.gz VAKLADCLMLTOGF-GFCCVEGCSA-N 1 0 238.400 3.535 20 0 BHADRO CC(C)=CCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000660253751 411559908 /nfs/dbraw/zinc/55/99/08/411559908.db2.gz VAKLADCLMLTOGF-LBPRGKRZSA-N 1 0 238.400 3.535 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cccc(N)c1)C1CCC1 ZINC000660254269 411560926 /nfs/dbraw/zinc/56/09/26/411560926.db2.gz RBGSUCXDCNNRGB-INIZCTEOSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cccc(N)c1)C1CCC1 ZINC000660254271 411560893 /nfs/dbraw/zinc/56/08/93/411560893.db2.gz RBGSUCXDCNNRGB-MRXNPFEDSA-N 1 0 246.398 3.717 20 0 BHADRO CC[C@@H]([NH2+]CCC=C(C)C)c1nccs1 ZINC000660254449 411560933 /nfs/dbraw/zinc/56/09/33/411560933.db2.gz RZGMFZSDJOFRQX-LLVKDONJSA-N 1 0 224.373 3.540 20 0 BHADRO CC[C@H]([NH2+]CCC=C(C)C)c1nccs1 ZINC000660254450 411560499 /nfs/dbraw/zinc/56/04/99/411560499.db2.gz RZGMFZSDJOFRQX-NSHDSACASA-N 1 0 224.373 3.540 20 0 BHADRO CC[C@@H]([NH2+]CCC=C(C)C)c1nc(C)cs1 ZINC000660254587 411560842 /nfs/dbraw/zinc/56/08/42/411560842.db2.gz SDSYIJJUYDNJJC-GFCCVEGCSA-N 1 0 238.400 3.849 20 0 BHADRO CC[C@H]([NH2+]CCC=C(C)C)c1nc(C)cs1 ZINC000660254588 411560522 /nfs/dbraw/zinc/56/05/22/411560522.db2.gz SDSYIJJUYDNJJC-LBPRGKRZSA-N 1 0 238.400 3.849 20 0 BHADRO c1ccc2c(c1)CC[C@H]2CC[NH2+]C1(C2CC2)CC1 ZINC000660255024 411343547 /nfs/dbraw/zinc/34/35/47/411343547.db2.gz XMVYYHFQNRDYSU-AWEZNQCLSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1(C2CC2)CC1 ZINC000660255026 411343771 /nfs/dbraw/zinc/34/37/71/411343771.db2.gz XMVYYHFQNRDYSU-CQSZACIVSA-N 1 0 241.378 3.639 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCC1 ZINC000660255193 411560520 /nfs/dbraw/zinc/56/05/20/411560520.db2.gz YOMVGOKBDFCRFY-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CCC1 ZINC000660255197 411560921 /nfs/dbraw/zinc/56/09/21/411560921.db2.gz YOMVGOKBDFCRFY-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CC(F)F ZINC000660257336 411560626 /nfs/dbraw/zinc/56/06/26/411560626.db2.gz QFCRLXPTYZPXDS-GRYCIOLGSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CC(F)F ZINC000660257337 411560547 /nfs/dbraw/zinc/56/05/47/411560547.db2.gz QFCRLXPTYZPXDS-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)CC(F)F ZINC000660257338 411560730 /nfs/dbraw/zinc/56/07/30/411560730.db2.gz QFCRLXPTYZPXDS-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CC(F)F ZINC000660257339 411560632 /nfs/dbraw/zinc/56/06/32/411560632.db2.gz QFCRLXPTYZPXDS-WOPDTQHZSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCC1CCC1)c1c(C)noc1C ZINC000660258369 411561495 /nfs/dbraw/zinc/56/14/95/411561495.db2.gz DRADOZDQALILQB-CYBMUJFWSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@H]([NH2+]CCC1CCC1)c1c(C)noc1C ZINC000660258370 411561394 /nfs/dbraw/zinc/56/13/94/411561394.db2.gz DRADOZDQALILQB-ZDUSSCGKSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@@H]([NH2+]CCC=C(C)C)c1c(C)noc1C ZINC000660259885 411561479 /nfs/dbraw/zinc/56/14/79/411561479.db2.gz RHUBCWJIRYVMCK-CYBMUJFWSA-N 1 0 236.359 3.688 20 0 BHADRO CC[C@H]([NH2+]CCC=C(C)C)c1c(C)noc1C ZINC000660260053 411560201 /nfs/dbraw/zinc/56/02/01/411560201.db2.gz RHUBCWJIRYVMCK-ZDUSSCGKSA-N 1 0 236.359 3.688 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CC=CC2)c(C)o1 ZINC000660262412 411561568 /nfs/dbraw/zinc/56/15/68/411561568.db2.gz HBQSZWISLDIEQB-LLVKDONJSA-N 1 0 219.328 3.513 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CC=CC2)c(C)o1 ZINC000660262414 411561468 /nfs/dbraw/zinc/56/14/68/411561468.db2.gz HBQSZWISLDIEQB-NSHDSACASA-N 1 0 219.328 3.513 20 0 BHADRO CC(C)=CCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000660262426 411561235 /nfs/dbraw/zinc/56/12/35/411561235.db2.gz HCWVMVOOXKCVDB-UHFFFAOYSA-N 1 0 238.400 3.633 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC=CC2)s1 ZINC000660263683 411562159 /nfs/dbraw/zinc/56/21/59/411562159.db2.gz LRGPKYHODVYFCX-LLVKDONJSA-N 1 0 221.369 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC=CC2)s1 ZINC000660263684 411561866 /nfs/dbraw/zinc/56/18/66/411561866.db2.gz LRGPKYHODVYFCX-NSHDSACASA-N 1 0 221.369 3.673 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCC2CCC2)n1 ZINC000660264864 411561903 /nfs/dbraw/zinc/56/19/03/411561903.db2.gz CMHZJTUZNQYZAS-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCC2CCC2)n1 ZINC000660264866 411562167 /nfs/dbraw/zinc/56/21/67/411562167.db2.gz CMHZJTUZNQYZAS-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CCC2CCC2)cs1 ZINC000660267431 411353266 /nfs/dbraw/zinc/35/32/66/411353266.db2.gz MYXGMEFQDXVXFY-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CCC2CCC2)cs1 ZINC000660267432 411352412 /nfs/dbraw/zinc/35/24/12/411352412.db2.gz MYXGMEFQDXVXFY-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C1CCCC1)CC(F)F ZINC000660267621 411562096 /nfs/dbraw/zinc/56/20/96/411562096.db2.gz SHFDYLXLEGFSNS-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C1CCCC1)CC(F)F ZINC000660267622 411561736 /nfs/dbraw/zinc/56/17/36/411561736.db2.gz SHFDYLXLEGFSNS-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C1CCCC1)CC(F)F ZINC000660267623 411562201 /nfs/dbraw/zinc/56/22/01/411562201.db2.gz SHFDYLXLEGFSNS-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C1CCCC1)CC(F)F ZINC000660267624 411561966 /nfs/dbraw/zinc/56/19/66/411561966.db2.gz SHFDYLXLEGFSNS-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CCC=C(C)C)cs1 ZINC000660267682 411562135 /nfs/dbraw/zinc/56/21/35/411562135.db2.gz UQEPXJWEJUXBNM-LLVKDONJSA-N 1 0 238.400 3.712 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CCC=C(C)C)cs1 ZINC000660267683 411562354 /nfs/dbraw/zinc/56/23/54/411562354.db2.gz UQEPXJWEJUXBNM-NSHDSACASA-N 1 0 238.400 3.712 20 0 BHADRO CC(C)=CCC[NH2+]C(C)(C)c1cccs1 ZINC000660268271 411562642 /nfs/dbraw/zinc/56/26/42/411562642.db2.gz GFJSQXJICSIBJG-UHFFFAOYSA-N 1 0 223.385 3.929 20 0 BHADRO Cc1cnc([C@@H](C)[NH2+]CCCC2CCC2)s1 ZINC000660268354 411562422 /nfs/dbraw/zinc/56/24/22/411562422.db2.gz FNJVOMGXFSMNPB-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1cnc([C@H](C)[NH2+]CCCC2CCC2)s1 ZINC000660268355 411562393 /nfs/dbraw/zinc/56/23/93/411562393.db2.gz FNJVOMGXFSMNPB-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CC(C)([NH2+]CCC1CCC1)c1cccs1 ZINC000660268783 411562419 /nfs/dbraw/zinc/56/24/19/411562419.db2.gz OPWCTBODDJSULI-UHFFFAOYSA-N 1 0 223.385 3.763 20 0 BHADRO CC(C)([NH2+]CC1CC=CC1)c1cccs1 ZINC000660269329 411562262 /nfs/dbraw/zinc/56/22/62/411562262.db2.gz TWRIZHVPSJIYLB-UHFFFAOYSA-N 1 0 221.369 3.539 20 0 BHADRO CC(C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccs1 ZINC000660269996 411355590 /nfs/dbraw/zinc/35/55/90/411355590.db2.gz ZRZSLUFAJBNRJZ-ZSBIGDGJSA-N 1 0 235.396 3.619 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660275074 411562873 /nfs/dbraw/zinc/56/28/73/411562873.db2.gz BLTDBRSPYZPUBE-CYBMUJFWSA-N 1 0 248.370 3.707 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660275075 411562986 /nfs/dbraw/zinc/56/29/86/411562986.db2.gz BLTDBRSPYZPUBE-ZDUSSCGKSA-N 1 0 248.370 3.707 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC)CCC1CC1 ZINC000660276425 411564408 /nfs/dbraw/zinc/56/44/08/411564408.db2.gz CRSAMGVMDCAWOC-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](CC)CCC1CC1 ZINC000660276426 411564050 /nfs/dbraw/zinc/56/40/50/411564050.db2.gz CRSAMGVMDCAWOC-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]CCCC2CCC2)cn1 ZINC000660276765 411564043 /nfs/dbraw/zinc/56/40/43/411564043.db2.gz ITEMPGOJBOJFJN-UHFFFAOYSA-N 1 0 246.398 3.795 20 0 BHADRO CC(C)=CCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000660278173 411364633 /nfs/dbraw/zinc/36/46/33/411364633.db2.gz UYSGUIHQEKOLCV-UHFFFAOYSA-N 1 0 232.371 3.571 20 0 BHADRO CC(C)=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000660278945 411564626 /nfs/dbraw/zinc/56/46/26/411564626.db2.gz RHKCPPVHPXYAHS-GDBMZVCRSA-N 1 0 244.382 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000660278946 411564734 /nfs/dbraw/zinc/56/47/34/411564734.db2.gz RHKCPPVHPXYAHS-GOEBONIOSA-N 1 0 244.382 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000660278947 411564661 /nfs/dbraw/zinc/56/46/61/411564661.db2.gz RHKCPPVHPXYAHS-HOCLYGCPSA-N 1 0 244.382 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000660278948 411564759 /nfs/dbraw/zinc/56/47/59/411564759.db2.gz RHKCPPVHPXYAHS-ZBFHGGJFSA-N 1 0 244.382 3.821 20 0 BHADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC2CCC2)C1 ZINC000660280049 411564967 /nfs/dbraw/zinc/56/49/67/411564967.db2.gz ZYIGBXBYHLKHAE-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC2CCC2)C1 ZINC000660280050 411565108 /nfs/dbraw/zinc/56/51/08/411565108.db2.gz ZYIGBXBYHLKHAE-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC2CCC2)C1 ZINC000660280051 411564829 /nfs/dbraw/zinc/56/48/29/411564829.db2.gz ZYIGBXBYHLKHAE-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC2CCC2)C1 ZINC000660280052 411565181 /nfs/dbraw/zinc/56/51/81/411565181.db2.gz ZYIGBXBYHLKHAE-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660304295 411566318 /nfs/dbraw/zinc/56/63/18/411566318.db2.gz CTJDXMSXAMLLLF-BXUZGUMPSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660304296 411566814 /nfs/dbraw/zinc/56/68/14/411566814.db2.gz CTJDXMSXAMLLLF-FZMZJTMJSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660304298 411566664 /nfs/dbraw/zinc/56/66/64/411566664.db2.gz CTJDXMSXAMLLLF-RISCZKNCSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660306056 411566165 /nfs/dbraw/zinc/56/61/65/411566165.db2.gz NRFJJBWVYSANKP-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660306057 411566781 /nfs/dbraw/zinc/56/67/81/411566781.db2.gz NRFJJBWVYSANKP-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCCC2(CC2)C1 ZINC000660308523 411567126 /nfs/dbraw/zinc/56/71/26/411567126.db2.gz YJMVNXNZJMQYCW-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCCC2(CC2)C1 ZINC000660308524 411567213 /nfs/dbraw/zinc/56/72/13/411567213.db2.gz YJMVNXNZJMQYCW-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO Cc1nc([C@H]2CCC[N@@H+]2CC2CC=CC2)cs1 ZINC000660309074 411567495 /nfs/dbraw/zinc/56/74/95/411567495.db2.gz CJVPFVYICVJAPI-CQSZACIVSA-N 1 0 248.395 3.555 20 0 BHADRO C1=CCC(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000660317234 411409544 /nfs/dbraw/zinc/40/95/44/411409544.db2.gz AHTUPGNGCBLHNW-UHFFFAOYSA-N 1 0 239.362 3.500 20 0 BHADRO C1=CCC(C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000660325395 411569244 /nfs/dbraw/zinc/56/92/44/411569244.db2.gz WNYPLTXFCWCGNS-UHFFFAOYSA-N 1 0 247.407 3.894 20 0 BHADRO CC(C)C1(C)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660328182 411569416 /nfs/dbraw/zinc/56/94/16/411569416.db2.gz ZNLMGCSOCPIKJX-UHFFFAOYSA-N 1 0 246.398 3.527 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000660331714 411570278 /nfs/dbraw/zinc/57/02/78/411570278.db2.gz BVZSLSWVEKIPKU-GRYCIOLGSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000660331715 411569942 /nfs/dbraw/zinc/56/99/42/411569942.db2.gz BVZSLSWVEKIPKU-IJLUTSLNSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000660331716 411569973 /nfs/dbraw/zinc/56/99/73/411569973.db2.gz BVZSLSWVEKIPKU-UTUOFQBUSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000660331717 411569920 /nfs/dbraw/zinc/56/99/20/411569920.db2.gz BVZSLSWVEKIPKU-WOPDTQHZSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660365980 411572763 /nfs/dbraw/zinc/57/27/63/411572763.db2.gz ALESZOCGXPRFSF-ABAIWWIYSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660365981 411573032 /nfs/dbraw/zinc/57/30/32/411573032.db2.gz ALESZOCGXPRFSF-IAQYHMDHSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660365982 411573050 /nfs/dbraw/zinc/57/30/50/411573050.db2.gz ALESZOCGXPRFSF-NHYWBVRUSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660365983 411573008 /nfs/dbraw/zinc/57/30/08/411573008.db2.gz ALESZOCGXPRFSF-XHDPSFHLSA-N 1 0 248.370 3.563 20 0 BHADRO CC[N@H+](Cc1cncs1)[C@H]1CCCC[C@@H]1C ZINC000660367311 411572861 /nfs/dbraw/zinc/57/28/61/411572861.db2.gz GWMBXWIXJNQINY-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cncs1)[C@@H]1CCCC[C@H]1C ZINC000660367313 411572654 /nfs/dbraw/zinc/57/26/54/411572654.db2.gz GWMBXWIXJNQINY-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cncs1)[C@@H]1CCCC[C@@H]1C ZINC000660367315 411572649 /nfs/dbraw/zinc/57/26/49/411572649.db2.gz GWMBXWIXJNQINY-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cncs1)[C@H]1CCCC[C@H]1C ZINC000660367317 411572697 /nfs/dbraw/zinc/57/26/97/411572697.db2.gz GWMBXWIXJNQINY-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CCCC1(C)C)CC(F)F ZINC000660367699 411573069 /nfs/dbraw/zinc/57/30/69/411573069.db2.gz MFAHKHDAFGVQIP-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H](C[NH2+][C@H]1CCCC1(C)C)CC(F)F ZINC000660367700 411573065 /nfs/dbraw/zinc/57/30/65/411573065.db2.gz MFAHKHDAFGVQIP-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCCC1(C)C)CC(F)F ZINC000660367701 411572067 /nfs/dbraw/zinc/57/20/67/411572067.db2.gz MFAHKHDAFGVQIP-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCCC1(C)C)CC(F)F ZINC000660367702 411572181 /nfs/dbraw/zinc/57/21/81/411572181.db2.gz MFAHKHDAFGVQIP-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660371847 411442708 /nfs/dbraw/zinc/44/27/08/411442708.db2.gz ACFACXDGNYPWNA-USZNOCQGSA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660371849 411442835 /nfs/dbraw/zinc/44/28/35/411442835.db2.gz ACFACXDGNYPWNA-WRWGMCAJSA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)=CCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000660372404 411574084 /nfs/dbraw/zinc/57/40/84/411574084.db2.gz FHQVRDCRLHBDHG-LLVKDONJSA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000660372405 411574236 /nfs/dbraw/zinc/57/42/36/411574236.db2.gz FHQVRDCRLHBDHG-NSHDSACASA-N 1 0 237.309 3.909 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC1CCC1 ZINC000660372890 411442751 /nfs/dbraw/zinc/44/27/51/411442751.db2.gz IMPJGVALBQQUIE-LLVKDONJSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC1CCC1 ZINC000660372891 411442400 /nfs/dbraw/zinc/44/24/00/411442400.db2.gz IMPJGVALBQQUIE-NSHDSACASA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000660373347 411574082 /nfs/dbraw/zinc/57/40/82/411574082.db2.gz MHVTZXHHQSWFGE-LLVKDONJSA-N 1 0 235.293 3.519 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000660373349 411574624 /nfs/dbraw/zinc/57/46/24/411574624.db2.gz MHVTZXHHQSWFGE-NSHDSACASA-N 1 0 235.293 3.519 20 0 BHADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC1CC=CC1 ZINC000660388040 411577562 /nfs/dbraw/zinc/57/75/62/411577562.db2.gz IRBHDZOFBYYPLK-LLVKDONJSA-N 1 0 247.304 3.615 20 0 BHADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC=CC1 ZINC000660388041 411577536 /nfs/dbraw/zinc/57/75/36/411577536.db2.gz IRBHDZOFBYYPLK-NSHDSACASA-N 1 0 247.304 3.615 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660409066 411471843 /nfs/dbraw/zinc/47/18/43/411471843.db2.gz AYFDVGDJDFTYKK-CMPLNLGQSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660409068 411471366 /nfs/dbraw/zinc/47/13/66/411471366.db2.gz AYFDVGDJDFTYKK-JQWIXIFHSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660409075 411471454 /nfs/dbraw/zinc/47/14/54/411471454.db2.gz AYFDVGDJDFTYKK-PWSUYJOCSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nsc2ccccc21 ZINC000660409086 411471435 /nfs/dbraw/zinc/47/14/35/411471435.db2.gz AYFDVGDJDFTYKK-ZYHUDNBSSA-N 1 0 246.379 3.575 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CC)CC(F)F ZINC000660411561 411479311 /nfs/dbraw/zinc/47/93/11/411479311.db2.gz ZYSKBAIJHVNFNM-QJPTWQEYSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CC)CC(F)F ZINC000660411562 411479323 /nfs/dbraw/zinc/47/93/23/411479323.db2.gz ZYSKBAIJHVNFNM-SDDRHHMPSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CC)CC(F)F ZINC000660411563 411479018 /nfs/dbraw/zinc/47/90/18/411479018.db2.gz ZYSKBAIJHVNFNM-SRVKXCTJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCC[C@H]1CC)CC(F)F ZINC000660411564 411478847 /nfs/dbraw/zinc/47/88/47/411478847.db2.gz ZYSKBAIJHVNFNM-TUAOUCFPSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)=CCC[NH+]1CCC(c2ccncc2)CC1 ZINC000660416851 411489154 /nfs/dbraw/zinc/48/91/54/411489154.db2.gz XTBLYNPNJMSYNW-UHFFFAOYSA-N 1 0 244.382 3.617 20 0 BHADRO CC(C)=CCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000660420189 411582995 /nfs/dbraw/zinc/58/29/95/411582995.db2.gz HMSYTHOFDCEJAI-LLVKDONJSA-N 1 0 235.293 3.617 20 0 BHADRO CC(C)=CCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000660420190 411582822 /nfs/dbraw/zinc/58/28/22/411582822.db2.gz HMSYTHOFDCEJAI-NSHDSACASA-N 1 0 235.293 3.617 20 0 BHADRO FC(F)(F)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000660421583 411582917 /nfs/dbraw/zinc/58/29/17/411582917.db2.gz PNJGDRIUQZDYKT-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000660421584 411582922 /nfs/dbraw/zinc/58/29/22/411582922.db2.gz PNJGDRIUQZDYKT-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO CC(C)[N@@H+](Cc1cc(C2CC2)no1)CC1CCC1 ZINC000660422575 411582900 /nfs/dbraw/zinc/58/29/00/411582900.db2.gz GDAZENJCOBZQTQ-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C1(C)CCCC1 ZINC000660435374 411584549 /nfs/dbraw/zinc/58/45/49/411584549.db2.gz OQHJROBPPKSFQU-LLVKDONJSA-N 1 0 233.346 3.932 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C1(C)CCCC1 ZINC000660435375 411584230 /nfs/dbraw/zinc/58/42/30/411584230.db2.gz OQHJROBPPKSFQU-NSHDSACASA-N 1 0 233.346 3.932 20 0 BHADRO CC(C)=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000660446746 411586908 /nfs/dbraw/zinc/58/69/08/411586908.db2.gz NQDRNJDRXMUBLL-GHMZBOCLSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000660446747 411586348 /nfs/dbraw/zinc/58/63/48/411586348.db2.gz NQDRNJDRXMUBLL-MNOVXSKESA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000660446749 411586707 /nfs/dbraw/zinc/58/67/07/411586707.db2.gz NQDRNJDRXMUBLL-QWRGUYRKSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000660446750 411586720 /nfs/dbraw/zinc/58/67/20/411586720.db2.gz NQDRNJDRXMUBLL-WDEREUQCSA-N 1 0 235.293 3.615 20 0 BHADRO C[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCC(C)(C)C1 ZINC000660453358 411587497 /nfs/dbraw/zinc/58/74/97/411587497.db2.gz PNCNNEAGDPHUCY-GFCCVEGCSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCC(C)(C)C1 ZINC000660453359 411587566 /nfs/dbraw/zinc/58/75/66/411587566.db2.gz PNCNNEAGDPHUCY-LBPRGKRZSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000660453614 411587269 /nfs/dbraw/zinc/58/72/69/411587269.db2.gz PFJTUXCRYSHFPM-AWEZNQCLSA-N 1 0 246.398 3.527 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000660453615 411587599 /nfs/dbraw/zinc/58/75/99/411587599.db2.gz PFJTUXCRYSHFPM-CQSZACIVSA-N 1 0 246.398 3.527 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC)CC1CCC1 ZINC000660456566 411167475 /nfs/dbraw/zinc/16/74/75/411167475.db2.gz RTODSJIBLHKGRR-LLVKDONJSA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](CC)CC1CCC1 ZINC000660456567 411167598 /nfs/dbraw/zinc/16/75/98/411167598.db2.gz RTODSJIBLHKGRR-NSHDSACASA-N 1 0 233.346 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC(C)=C(C)C1 ZINC000660456808 411588109 /nfs/dbraw/zinc/58/81/09/411588109.db2.gz NVANPAAVLUOSCI-GFCCVEGCSA-N 1 0 231.330 3.710 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC(C)=C(C)C1 ZINC000660456809 411587840 /nfs/dbraw/zinc/58/78/40/411587840.db2.gz NVANPAAVLUOSCI-LBPRGKRZSA-N 1 0 231.330 3.710 20 0 BHADRO CC(C)=CCC[N@H+](CC1CC1)C1CCC1 ZINC000660459042 411588397 /nfs/dbraw/zinc/58/83/97/411588397.db2.gz QFILWNXZTAAXBC-UHFFFAOYSA-N 1 0 207.361 3.607 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000660459376 411587882 /nfs/dbraw/zinc/58/78/82/411587882.db2.gz LFJSOUPMMQRMEV-CMPLNLGQSA-N 1 0 231.330 3.566 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000660459377 411587804 /nfs/dbraw/zinc/58/78/04/411587804.db2.gz LFJSOUPMMQRMEV-JQWIXIFHSA-N 1 0 231.330 3.566 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000660459378 411587912 /nfs/dbraw/zinc/58/79/12/411587912.db2.gz LFJSOUPMMQRMEV-PWSUYJOCSA-N 1 0 231.330 3.566 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000660459379 411587861 /nfs/dbraw/zinc/58/78/61/411587861.db2.gz LFJSOUPMMQRMEV-ZYHUDNBSSA-N 1 0 231.330 3.566 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC1CC1)C1CCC1 ZINC000660460282 411588480 /nfs/dbraw/zinc/58/84/80/411588480.db2.gz ZTBUQLZKOVJDTG-LLVKDONJSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](CC1CC1)C1CCC1 ZINC000660460284 411588510 /nfs/dbraw/zinc/58/85/10/411588510.db2.gz ZTBUQLZKOVJDTG-NSHDSACASA-N 1 0 245.357 3.932 20 0 BHADRO CSc1cccc(C[N@@H+]2CCC=C(C)C2)c1 ZINC000660461533 411589235 /nfs/dbraw/zinc/58/92/35/411589235.db2.gz FVGXQALYUPXVLP-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CC1(C)CCCC[C@H]1C[N@@H+]1Cc2cccnc2C1 ZINC000660463116 411588649 /nfs/dbraw/zinc/58/86/49/411588649.db2.gz YHSSVQIMULEOQG-AWEZNQCLSA-N 1 0 244.382 3.614 20 0 BHADRO CC1(C)CCCC[C@@H]1C[N@@H+]1Cc2cccnc2C1 ZINC000660463117 411589143 /nfs/dbraw/zinc/58/91/43/411589143.db2.gz YHSSVQIMULEOQG-CQSZACIVSA-N 1 0 244.382 3.614 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](CC2CC=CC2)CC1 ZINC000660489786 411371251 /nfs/dbraw/zinc/37/12/51/411371251.db2.gz ZUKBBGJSEJPQDB-UHFFFAOYSA-N 1 0 243.350 3.725 20 0 BHADRO FC(F)(F)CC1CC[NH+](CC2CC=CC2)CC1 ZINC000660495213 411594737 /nfs/dbraw/zinc/59/47/37/411594737.db2.gz FULBYMKGEUICCN-UHFFFAOYSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)CC1CC[NH+](CCC2CCC2)CC1 ZINC000660496350 411594735 /nfs/dbraw/zinc/59/47/35/411594735.db2.gz OFNNBANEGRTJAJ-UHFFFAOYSA-N 1 0 249.320 3.841 20 0 BHADRO c1cc([C@@H]2CCCC[N@H+]2CCCC2CCC2)n[nH]1 ZINC000660537022 411596692 /nfs/dbraw/zinc/59/66/92/411596692.db2.gz TXTLWHOQIMKELT-HNNXBMFYSA-N 1 0 247.386 3.517 20 0 BHADRO c1cc([C@H]2CCCC[N@H+]2CCCC2CCC2)n[nH]1 ZINC000660537023 411596290 /nfs/dbraw/zinc/59/62/90/411596290.db2.gz TXTLWHOQIMKELT-OAHLLOKOSA-N 1 0 247.386 3.517 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1CCC2(CCC2)CC1 ZINC000660545346 411598254 /nfs/dbraw/zinc/59/82/54/411598254.db2.gz UETYJYOYDIRVQA-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+]1CCC2(CCC2)CC1 ZINC000660545347 411598207 /nfs/dbraw/zinc/59/82/07/411598207.db2.gz UETYJYOYDIRVQA-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000660552327 411598993 /nfs/dbraw/zinc/59/89/93/411598993.db2.gz POPOVCNXXXPCCU-INIZCTEOSA-N 1 0 244.382 3.617 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000660552328 411598979 /nfs/dbraw/zinc/59/89/79/411598979.db2.gz POPOVCNXXXPCCU-MRXNPFEDSA-N 1 0 244.382 3.617 20 0 BHADRO CCC(CC)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000660552569 411598778 /nfs/dbraw/zinc/59/87/78/411598778.db2.gz NQASYHDZIJBUGX-UHFFFAOYSA-N 1 0 244.382 3.607 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000660552844 411599039 /nfs/dbraw/zinc/59/90/39/411599039.db2.gz RTPGCFLRGPTRSA-INIZCTEOSA-N 1 0 246.398 3.697 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000660552847 411599306 /nfs/dbraw/zinc/59/93/06/411599306.db2.gz RTPGCFLRGPTRSA-MRXNPFEDSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000660554615 411599879 /nfs/dbraw/zinc/59/98/79/411599879.db2.gz XTNXWYOUNVPDBO-UHFFFAOYSA-N 1 0 242.366 3.527 20 0 BHADRO C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC(F)(F)CC1 ZINC000660556627 488062737 /nfs/dbraw/zinc/06/27/37/488062737.db2.gz HYQCGMFFKVNPOS-ZSBIGDGJSA-N 1 0 243.341 3.542 20 0 BHADRO C[N@H+](CCC1CCC1)C1CCC(F)(F)CC1 ZINC000660557307 411319500 /nfs/dbraw/zinc/31/95/00/411319500.db2.gz KPTHANKUKTYLRJ-UHFFFAOYSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000660558129 411600448 /nfs/dbraw/zinc/60/04/48/411600448.db2.gz BEDAOCUMEHZDTI-AAEUAGOBSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000660558132 411600038 /nfs/dbraw/zinc/60/00/38/411600038.db2.gz BEDAOCUMEHZDTI-DGCLKSJQSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000660558134 411600489 /nfs/dbraw/zinc/60/04/89/411600489.db2.gz BEDAOCUMEHZDTI-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000660558137 411600293 /nfs/dbraw/zinc/60/02/93/411600293.db2.gz BEDAOCUMEHZDTI-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)=CCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000660560231 488065647 /nfs/dbraw/zinc/06/56/47/488065647.db2.gz XUZCNKVEXUMRJN-UHFFFAOYSA-N 1 0 231.330 3.852 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cc(C2CC2)no1 ZINC000660561199 411600359 /nfs/dbraw/zinc/60/03/59/411600359.db2.gz SXBIBLXSLILDIU-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CC[N@H+](CCC=C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000660561862 488067505 /nfs/dbraw/zinc/06/75/05/488067505.db2.gz CAOCFRXXSIEBHL-AWEZNQCLSA-N 1 0 239.403 3.622 20 0 BHADRO CC[N@H+](CCC=C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000660561863 488067552 /nfs/dbraw/zinc/06/75/52/488067552.db2.gz CAOCFRXXSIEBHL-CQSZACIVSA-N 1 0 239.403 3.622 20 0 BHADRO C[C@@H]1C[N@H+](CCCC2CCC2)CCC1(F)F ZINC000660565540 411601146 /nfs/dbraw/zinc/60/11/46/411601146.db2.gz FIGJSONZRYJDCF-LLVKDONJSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1C[N@H+](CCCC2CCC2)CCC1(F)F ZINC000660565544 411600787 /nfs/dbraw/zinc/60/07/87/411600787.db2.gz FIGJSONZRYJDCF-NSHDSACASA-N 1 0 231.330 3.544 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660586915 488095471 /nfs/dbraw/zinc/09/54/71/488095471.db2.gz MLDQMELDHJFFTB-LLVKDONJSA-N 1 0 236.359 3.563 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660586924 488095725 /nfs/dbraw/zinc/09/57/25/488095725.db2.gz MLDQMELDHJFFTB-NSHDSACASA-N 1 0 236.359 3.563 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCCC23CCCC3)co1 ZINC000660594883 488104648 /nfs/dbraw/zinc/10/46/48/488104648.db2.gz AVVKKBFGNUNIHK-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCCC23CCCC3)co1 ZINC000660594887 488104015 /nfs/dbraw/zinc/10/40/15/488104015.db2.gz AVVKKBFGNUNIHK-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO C[C@]12CC[N@H+](CCCC3CCC3)C[C@H]1C2(F)F ZINC000660605020 411605861 /nfs/dbraw/zinc/60/58/61/411605861.db2.gz GMRKMQVXGQBATH-OLZOCXBDSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@@]12CC[N@H+](CCCC3CCC3)C[C@@H]1C2(F)F ZINC000660605021 411605723 /nfs/dbraw/zinc/60/57/23/411605723.db2.gz GMRKMQVXGQBATH-QWHCGFSZSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@H](CC(F)F)C[NH+]1CCC(C2CC2)CC1 ZINC000660611958 411607294 /nfs/dbraw/zinc/60/72/94/411607294.db2.gz WFZLDKFARQNETK-LLVKDONJSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[NH+]1CCC(C2CC2)CC1 ZINC000660611959 411607269 /nfs/dbraw/zinc/60/72/69/411607269.db2.gz WFZLDKFARQNETK-NSHDSACASA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)([NH2+]CC1CC=CC1)c1ccccc1F ZINC000660615119 411355563 /nfs/dbraw/zinc/35/55/63/411355563.db2.gz LZURONPTMHOZMU-UHFFFAOYSA-N 1 0 233.330 3.617 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)Cc1occc1C ZINC000660615145 411607998 /nfs/dbraw/zinc/60/79/98/411607998.db2.gz PZSPPPXJDKQKGV-LLVKDONJSA-N 1 0 245.313 3.701 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)Cc1occc1C ZINC000660615150 411607886 /nfs/dbraw/zinc/60/78/86/411607886.db2.gz PZSPPPXJDKQKGV-NSHDSACASA-N 1 0 245.313 3.701 20 0 BHADRO CC(C)=CCC[NH+](C1CCC1)C1CCC1 ZINC000660616815 411355369 /nfs/dbraw/zinc/35/53/69/411355369.db2.gz GQXQLTDNFQJDJD-UHFFFAOYSA-N 1 0 207.361 3.750 20 0 BHADRO C(C[NH+](C1CCC1)C1CCC1)C1CCC1 ZINC000660618477 411608262 /nfs/dbraw/zinc/60/82/62/411608262.db2.gz RFYJBSXXWPHNQM-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625198 411609103 /nfs/dbraw/zinc/60/91/03/411609103.db2.gz FRLPGXLZYHOBJR-CABCVRRESA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625199 411608931 /nfs/dbraw/zinc/60/89/31/411608931.db2.gz FRLPGXLZYHOBJR-GJZGRUSLSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625200 411609196 /nfs/dbraw/zinc/60/91/96/411609196.db2.gz FRLPGXLZYHOBJR-HUUCEWRRSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625201 411608599 /nfs/dbraw/zinc/60/85/99/411608599.db2.gz FRLPGXLZYHOBJR-LSDHHAIUSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626068 411608662 /nfs/dbraw/zinc/60/86/62/411608662.db2.gz LTVRBXFBLUQUKH-HNNXBMFYSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626069 411609212 /nfs/dbraw/zinc/60/92/12/411609212.db2.gz LTVRBXFBLUQUKH-OAHLLOKOSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660627049 411608637 /nfs/dbraw/zinc/60/86/37/411608637.db2.gz QDGARRNQSJZSHG-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660627050 411361116 /nfs/dbraw/zinc/36/11/16/411361116.db2.gz QDGARRNQSJZSHG-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660627409 411609897 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/nfs/dbraw/zinc/36/07/42/411360742.db2.gz WAZXTABNXUXKEI-JZIMQPMSSA-N 1 0 244.382 3.617 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660627704 411361339 /nfs/dbraw/zinc/36/13/39/411361339.db2.gz WAZXTABNXUXKEI-NHZBNJEXSA-N 1 0 244.382 3.617 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000660628461 411361303 /nfs/dbraw/zinc/36/13/03/411361303.db2.gz MTBNQKGPPRSTJR-UHFFFAOYSA-N 1 0 242.366 3.527 20 0 BHADRO CCC(CC)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000660629410 411609752 /nfs/dbraw/zinc/60/97/52/411609752.db2.gz UAMLOJBDDNZEFE-UHFFFAOYSA-N 1 0 244.382 3.607 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1C ZINC000660670400 411616404 /nfs/dbraw/zinc/61/64/04/411616404.db2.gz HITCJTQIYJVGJY-DVOMOZLQSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCCC[C@H]1C ZINC000660670404 411616544 /nfs/dbraw/zinc/61/65/44/411616544.db2.gz HITCJTQIYJVGJY-IOASZLSFSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCCC[C@H]1C ZINC000660670406 411616610 /nfs/dbraw/zinc/61/66/10/411616610.db2.gz HITCJTQIYJVGJY-WWGRRREGSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1C ZINC000660670407 411616230 /nfs/dbraw/zinc/61/62/30/411616230.db2.gz HITCJTQIYJVGJY-XJKCOSOUSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H](C[NH2+]C1(CC)CCCC1)CC(F)F ZINC000660671260 411616262 /nfs/dbraw/zinc/61/62/62/411616262.db2.gz MNBCSXLGIAVNQV-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CC[C@H](C[NH2+]C1(CC)CCCC1)CC(F)F ZINC000660671261 411616431 /nfs/dbraw/zinc/61/64/31/411616431.db2.gz MNBCSXLGIAVNQV-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nc(C)oc1C)C(C)(C)C ZINC000660690355 411618003 /nfs/dbraw/zinc/61/80/03/411618003.db2.gz BDIOMVJWOPQWCJ-CYBMUJFWSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@H]([NH2+]Cc1nc(C)oc1C)C(C)(C)C ZINC000660690357 411617880 /nfs/dbraw/zinc/61/78/80/411617880.db2.gz BDIOMVJWOPQWCJ-ZDUSSCGKSA-N 1 0 238.375 3.596 20 0 BHADRO CCC[C@@H]([NH2+]Cc1conc1CC)C(C)(C)C ZINC000660691981 411618005 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411620510 /nfs/dbraw/zinc/62/05/10/411620510.db2.gz XZCVNWYZEMTANK-HNNXBMFYSA-N 1 0 245.366 3.997 20 0 BHADRO c1coc([C@H]2[N@H+](CCC3CCC3)CC23CCC3)c1 ZINC000660739727 411620376 /nfs/dbraw/zinc/62/03/76/411620376.db2.gz XZCVNWYZEMTANK-OAHLLOKOSA-N 1 0 245.366 3.997 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000660751169 411620606 /nfs/dbraw/zinc/62/06/06/411620606.db2.gz IDRNSXFPPAFUIZ-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000660752504 411620909 /nfs/dbraw/zinc/62/09/09/411620909.db2.gz ARNUTJPBBMSOKF-AWEZNQCLSA-N 1 0 239.428 3.562 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000660752506 411620693 /nfs/dbraw/zinc/62/06/93/411620693.db2.gz ARNUTJPBBMSOKF-CQSZACIVSA-N 1 0 239.428 3.562 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]CC2CC=CC2)c1 ZINC000660756441 409713529 /nfs/dbraw/zinc/71/35/29/409713529.db2.gz ANOFCWDRCVHJAT-CYBMUJFWSA-N 1 0 215.340 3.612 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]CC2CC=CC2)c1 ZINC000660756450 409713946 /nfs/dbraw/zinc/71/39/46/409713946.db2.gz ANOFCWDRCVHJAT-ZDUSSCGKSA-N 1 0 215.340 3.612 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCC[C@@H](C)C1 ZINC000660757985 411621326 /nfs/dbraw/zinc/62/13/26/411621326.db2.gz KTXYSPCWZYBVEF-IPYPFGDCSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCC[C@H](C)C1 ZINC000660757986 409718087 /nfs/dbraw/zinc/71/80/87/409718087.db2.gz KTXYSPCWZYBVEF-KCQAQPDRSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000660757988 409719341 /nfs/dbraw/zinc/71/93/41/409719341.db2.gz KTXYSPCWZYBVEF-VNHYZAJKSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCC[C@H](C)C1 ZINC000660757990 409717879 /nfs/dbraw/zinc/71/78/79/409717879.db2.gz KTXYSPCWZYBVEF-YDHLFZDLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000660768746 409728386 /nfs/dbraw/zinc/72/83/86/409728386.db2.gz REHYQICAWBPNGW-ABAIWWIYSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000660768749 409728426 /nfs/dbraw/zinc/72/84/26/409728426.db2.gz REHYQICAWBPNGW-IAQYHMDHSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000660768752 409727635 /nfs/dbraw/zinc/72/76/35/409727635.db2.gz REHYQICAWBPNGW-NHYWBVRUSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000660768753 409728403 /nfs/dbraw/zinc/72/84/03/409728403.db2.gz REHYQICAWBPNGW-XHDPSFHLSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C1CC(C)(C)C1 ZINC000660778764 411627774 /nfs/dbraw/zinc/62/77/74/411627774.db2.gz MJCLFGUAZQFBQO-JTQLQIEISA-N 1 0 233.346 3.788 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C1CC(C)(C)C1 ZINC000660778765 411627595 /nfs/dbraw/zinc/62/75/95/411627595.db2.gz MJCLFGUAZQFBQO-SNVBAGLBSA-N 1 0 233.346 3.788 20 0 BHADRO Clc1ccc2c(c1)C[N@@H+](CC1CC=CC1)C2 ZINC000660781757 411629716 /nfs/dbraw/zinc/62/97/16/411629716.db2.gz WBSSJNIOBMRSHX-UHFFFAOYSA-N 1 0 233.742 3.622 20 0 BHADRO CCC[C@H]([NH2+]Cc1cc(C2CC2)no1)C1CCC1 ZINC000660782926 409743452 /nfs/dbraw/zinc/74/34/52/409743452.db2.gz JAULSKQHCLHSBZ-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cc(C2CC2)no1)C1CCC1 ZINC000660782927 409744226 /nfs/dbraw/zinc/74/42/26/409744226.db2.gz JAULSKQHCLHSBZ-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@H]([NH2+]CC1CC=CC1)C1CCC1 ZINC000660783180 411631022 /nfs/dbraw/zinc/63/10/22/411631022.db2.gz MGPUZJWUQQECNR-AWEZNQCLSA-N 1 0 207.361 3.511 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC=CC1)C1CCC1 ZINC000660783181 411631436 /nfs/dbraw/zinc/63/14/36/411631436.db2.gz MGPUZJWUQQECNR-CQSZACIVSA-N 1 0 207.361 3.511 20 0 BHADRO CSc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000660783776 411631237 /nfs/dbraw/zinc/63/12/37/411631237.db2.gz ULBNHILURNHIHF-SNPRPXQTSA-N 1 0 247.407 3.687 20 0 BHADRO CSc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000660783777 411630971 /nfs/dbraw/zinc/63/09/71/411630971.db2.gz ULBNHILURNHIHF-VHDGCEQUSA-N 1 0 247.407 3.687 20 0 BHADRO CC(C)=CCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000660796301 411635423 /nfs/dbraw/zinc/63/54/23/411635423.db2.gz HAHRHSBUXURIMT-UHFFFAOYSA-N 1 0 239.428 3.704 20 0 BHADRO C(C[N@@H+]1CCSC2(CCC2)CC1)C1CCC1 ZINC000660798125 411635990 /nfs/dbraw/zinc/63/59/90/411635990.db2.gz XMARWGZGXGAYPP-UHFFFAOYSA-N 1 0 239.428 3.538 20 0 BHADRO CCC(CC)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000660801226 411637476 /nfs/dbraw/zinc/63/74/76/411637476.db2.gz OKKGETXEONZFKQ-UHFFFAOYSA-N 1 0 245.366 3.641 20 0 BHADRO CC[N@H+](Cc1cc(C2CC2)no1)C1CC(C)(C)C1 ZINC000660807191 411638835 /nfs/dbraw/zinc/63/88/35/411638835.db2.gz HUWUNKWLGFBNEY-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000660813856 411644746 /nfs/dbraw/zinc/64/47/46/411644746.db2.gz MOSRGMCCKUCSMA-AAEUAGOBSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000660813857 411644386 /nfs/dbraw/zinc/64/43/86/411644386.db2.gz MOSRGMCCKUCSMA-DGCLKSJQSA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000660813858 411644877 /nfs/dbraw/zinc/64/48/77/411644877.db2.gz MOSRGMCCKUCSMA-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000660813859 411644784 /nfs/dbraw/zinc/64/47/84/411644784.db2.gz MOSRGMCCKUCSMA-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO COCCCC[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000660826611 411646651 /nfs/dbraw/zinc/64/66/51/411646651.db2.gz PRWBTXWKOFVVLG-UHFFFAOYSA-N 1 0 249.398 3.668 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000660829890 411649165 /nfs/dbraw/zinc/64/91/65/411649165.db2.gz BQGVOYLPOCTPTA-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000660829891 411648308 /nfs/dbraw/zinc/64/83/08/411648308.db2.gz BQGVOYLPOCTPTA-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)C[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660833596 411651329 /nfs/dbraw/zinc/65/13/29/411651329.db2.gz PLZGTJLYPZTICT-GFCCVEGCSA-N 1 0 247.304 3.617 20 0 BHADRO FC(F)(F)C[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660833597 411650143 /nfs/dbraw/zinc/65/01/43/411650143.db2.gz PLZGTJLYPZTICT-LBPRGKRZSA-N 1 0 247.304 3.617 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000660897287 411664145 /nfs/dbraw/zinc/66/41/45/411664145.db2.gz FTHZAWBJPKYVEQ-AGIUHOORSA-N 1 0 245.357 3.932 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000660897288 411663295 /nfs/dbraw/zinc/66/32/95/411663295.db2.gz FTHZAWBJPKYVEQ-AVGNSLFASA-N 1 0 245.357 3.932 20 0 BHADRO COc1cccc(C[N@H+](C)C(C)(C)C)c1Cl ZINC000660900991 411664786 /nfs/dbraw/zinc/66/47/86/411664786.db2.gz DGQAQIPNGCKEQZ-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO C[N@H+](CCc1nsc2ccccc21)C(C)(C)C ZINC000660901204 409946402 /nfs/dbraw/zinc/94/64/02/409946402.db2.gz FJFGJAOIDRRWCT-UHFFFAOYSA-N 1 0 248.395 3.569 20 0 BHADRO C[N@H+](Cc1nsc2ccccc21)C(C)(C)C ZINC000660901416 409949450 /nfs/dbraw/zinc/94/94/50/409949450.db2.gz HGYMKTSZUAUYCB-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO CSc1cccc(C[N@H+](C)C(C)(C)C)c1 ZINC000660902436 411666262 /nfs/dbraw/zinc/66/62/62/411666262.db2.gz KNZNSZBZOZZRQL-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO Cc1ccccc1C1([NH2+]CC2CC=CC2)CC1 ZINC000660903036 411664960 /nfs/dbraw/zinc/66/49/60/411664960.db2.gz UKXZIUPTVIWFHN-UHFFFAOYSA-N 1 0 227.351 3.540 20 0 BHADRO COc1ccccc1C1([NH2+]CCC=C(C)C)CC1 ZINC000660903892 411667427 /nfs/dbraw/zinc/66/74/27/411667427.db2.gz XOTNNMWKGVWJQY-UHFFFAOYSA-N 1 0 245.366 3.630 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC12CCCC2 ZINC000660909653 411668902 /nfs/dbraw/zinc/66/89/02/411668902.db2.gz NVUKVZNJHWJMCH-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC12CCCC2 ZINC000660909655 411668232 /nfs/dbraw/zinc/66/82/32/411668232.db2.gz NVUKVZNJHWJMCH-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CSc1cccc(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000660918521 409966396 /nfs/dbraw/zinc/96/63/96/409966396.db2.gz BXENCMNWSDMLCX-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C(C)(C)C)CC(F)F ZINC000660918744 411672585 /nfs/dbraw/zinc/67/25/85/411672585.db2.gz FNXASCYZFYHLOG-NXEZZACHSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C(C)(C)C)CC(F)F ZINC000660918745 411672135 /nfs/dbraw/zinc/67/21/35/411672135.db2.gz FNXASCYZFYHLOG-ZJUUUORDSA-N 1 0 221.335 3.692 20 0 BHADRO FC1(F)CC12CC[NH+](CCCC1CCC1)CC2 ZINC000660918780 411672762 /nfs/dbraw/zinc/67/27/62/411672762.db2.gz VRVNFJOVNQXULY-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO CC[C@H](C[NH2+]C1(C2CCC2)CC1)CC(F)F ZINC000660920196 411673599 /nfs/dbraw/zinc/67/35/99/411673599.db2.gz LMPHCBZFWGMXMJ-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H](C[NH2+]C1(C2CCC2)CC1)CC(F)F ZINC000660920197 411673555 /nfs/dbraw/zinc/67/35/55/411673555.db2.gz LMPHCBZFWGMXMJ-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[N@H+](C[C@H](CC)CC(F)F)C(C)C ZINC000660923498 411675455 /nfs/dbraw/zinc/67/54/55/411675455.db2.gz DQGNLPSDQSVVFP-LLVKDONJSA-N 1 0 221.335 3.788 20 0 BHADRO CCC[N@H+](C[C@@H](CC)CC(F)F)C(C)C ZINC000660923499 411674506 /nfs/dbraw/zinc/67/45/06/411674506.db2.gz DQGNLPSDQSVVFP-NSHDSACASA-N 1 0 221.335 3.788 20 0 BHADRO CCC[N@H+](Cc1nsc2ccccc21)C(C)C ZINC000660923964 411674217 /nfs/dbraw/zinc/67/42/17/411674217.db2.gz INSRFWIFGKKPLJ-UHFFFAOYSA-N 1 0 248.395 3.917 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)C1CCC(F)(F)CC1 ZINC000660925659 411676744 /nfs/dbraw/zinc/67/67/44/411676744.db2.gz FADPYRUSWVSVSM-LLVKDONJSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)C1CCC(F)(F)CC1 ZINC000660925662 411676380 /nfs/dbraw/zinc/67/63/80/411676380.db2.gz FADPYRUSWVSVSM-NSHDSACASA-N 1 0 243.341 3.756 20 0 BHADRO Cc1nc(C[N@@H+]2CCC[C@H]2CC2CCCC2)co1 ZINC000660927391 411677566 /nfs/dbraw/zinc/67/75/66/411677566.db2.gz ZBSBLISWPTZSNI-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)co1 ZINC000660927392 411676801 /nfs/dbraw/zinc/67/68/01/411676801.db2.gz ZBSBLISWPTZSNI-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927520 411677604 /nfs/dbraw/zinc/67/76/04/411677604.db2.gz CQUFIJOMSAONTH-QEJZJMRPSA-N 1 0 215.340 3.622 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927521 411677403 /nfs/dbraw/zinc/67/74/03/411677403.db2.gz CQUFIJOMSAONTH-SNPRPXQTSA-N 1 0 215.340 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927703 409976577 /nfs/dbraw/zinc/97/65/77/409976577.db2.gz FQEGNEVONJKRKI-MYNUTGAYSA-N 1 0 227.351 3.574 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927704 409975955 /nfs/dbraw/zinc/97/59/55/409975955.db2.gz FQEGNEVONJKRKI-OCLYVHKGSA-N 1 0 227.351 3.574 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927713 411679751 /nfs/dbraw/zinc/67/97/51/411679751.db2.gz FVMASIIDXVFDER-WHOFXGATSA-N 1 0 233.330 3.761 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927714 411678986 /nfs/dbraw/zinc/67/89/86/411678986.db2.gz FVMASIIDXVFDER-ZLDLUXBVSA-N 1 0 233.330 3.761 20 0 BHADRO Clc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)s1 ZINC000660927724 411678590 /nfs/dbraw/zinc/67/85/90/411678590.db2.gz GFGWCRUYNMKVQZ-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660928194 409976128 /nfs/dbraw/zinc/97/61/28/409976128.db2.gz LEJSOCKLQJWFOT-HUBLWGQQSA-N 1 0 233.330 3.761 20 0 BHADRO C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660928196 409975727 /nfs/dbraw/zinc/97/57/27/409975727.db2.gz LEJSOCKLQJWFOT-XUJVJEKNSA-N 1 0 233.330 3.761 20 0 BHADRO COc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660930273 411681833 /nfs/dbraw/zinc/68/18/33/411681833.db2.gz MDZOFGLLTXZGQM-INWMFGNUSA-N 1 0 245.366 3.631 20 0 BHADRO COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660930274 411682504 /nfs/dbraw/zinc/68/25/04/411682504.db2.gz MDZOFGLLTXZGQM-NOLJZWGESA-N 1 0 245.366 3.631 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]31)CC2 ZINC000660931182 411680741 /nfs/dbraw/zinc/68/07/41/411680741.db2.gz PEVMPYSKOKSNSK-RCBQFDQVSA-N 1 0 245.341 3.687 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]31)CC2 ZINC000660931188 411681476 /nfs/dbraw/zinc/68/14/76/411681476.db2.gz PEVMPYSKOKSNSK-VBNZEHGJSA-N 1 0 245.341 3.687 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660931441 411680964 /nfs/dbraw/zinc/68/09/64/411680964.db2.gz NBOPLCHJFBIMFH-QAETUUGQSA-N 1 0 241.378 3.665 20 0 BHADRO Clc1ccsc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931820 411681572 /nfs/dbraw/zinc/68/15/72/411681572.db2.gz PWAKHVKGBKYZFZ-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931870 409978968 /nfs/dbraw/zinc/97/89/68/409978968.db2.gz RQIPLPWREMENCY-BPUTZDHNSA-N 1 0 227.351 3.548 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931871 409978324 /nfs/dbraw/zinc/97/83/24/409978324.db2.gz RQIPLPWREMENCY-CWRNSKLLSA-N 1 0 227.351 3.548 20 0 BHADRO c1cc(CCC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cs1 ZINC000660931888 409979046 /nfs/dbraw/zinc/97/90/46/409979046.db2.gz RZSXWULLTUJPPQ-KBPBESRZSA-N 1 0 235.396 3.555 20 0 BHADRO C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931959 411681953 /nfs/dbraw/zinc/68/19/53/411681953.db2.gz WAGIBUAGXIKDKJ-WHOFXGATSA-N 1 0 233.330 3.761 20 0 BHADRO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931961 411681046 /nfs/dbraw/zinc/68/10/46/411681046.db2.gz WAGIBUAGXIKDKJ-ZLDLUXBVSA-N 1 0 233.330 3.761 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932684 411680995 /nfs/dbraw/zinc/68/09/95/411680995.db2.gz BTCKJZSWHOSKPI-QWRGUYRKSA-N 1 0 235.293 3.593 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934140 411683164 /nfs/dbraw/zinc/68/31/64/411683164.db2.gz LQNMLBYNNLPYET-SRVKXCTJSA-N 1 0 231.330 3.542 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934141 411683952 /nfs/dbraw/zinc/68/39/52/411683952.db2.gz LQNMLBYNNLPYET-WOPDTQHZSA-N 1 0 231.330 3.542 20 0 BHADRO Clc1sccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934864 411683702 /nfs/dbraw/zinc/68/37/02/411683702.db2.gz WLXUBVMUICDXEG-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO FC1(F)CCC(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660935059 411684029 /nfs/dbraw/zinc/68/40/29/411684029.db2.gz XUXPAMJJFYKGNQ-STQMWFEESA-N 1 0 243.341 3.686 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000661102767 410213332 /nfs/dbraw/zinc/21/33/32/410213332.db2.gz AAEIANUJIMZHJE-GHMZBOCLSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000661102768 410213358 /nfs/dbraw/zinc/21/33/58/410213358.db2.gz AAEIANUJIMZHJE-MNOVXSKESA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000661102769 410213170 /nfs/dbraw/zinc/21/31/70/410213170.db2.gz AAEIANUJIMZHJE-QWRGUYRKSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000661102770 410213522 /nfs/dbraw/zinc/21/35/22/410213522.db2.gz AAEIANUJIMZHJE-WDEREUQCSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccc2ncccc2c1 ZINC000661102841 411706447 /nfs/dbraw/zinc/70/64/47/411706447.db2.gz BBHQXDVEQGQYIM-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccc2ncccc2c1 ZINC000661102843 411707593 /nfs/dbraw/zinc/70/75/93/411707593.db2.gz BBHQXDVEQGQYIM-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1nsc2ccccc21 ZINC000661102918 411707578 /nfs/dbraw/zinc/70/75/78/411707578.db2.gz CIHXMYRNAZGTMI-LLVKDONJSA-N 1 0 248.395 3.917 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC)[C@H](C)CC ZINC000661103104 411704455 /nfs/dbraw/zinc/70/44/55/411704455.db2.gz DTPFVNQKMRHACV-GHMZBOCLSA-N 1 0 221.335 3.788 20 0 BHADRO CC[C@@H](C)[N@@H+](CC)C[C@@H](CC)CC(F)F ZINC000661103106 411704875 /nfs/dbraw/zinc/70/48/75/411704875.db2.gz DTPFVNQKMRHACV-MNOVXSKESA-N 1 0 221.335 3.788 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](CC)[C@@H](C)CC ZINC000661103108 411706150 /nfs/dbraw/zinc/70/61/50/411706150.db2.gz DTPFVNQKMRHACV-QWRGUYRKSA-N 1 0 221.335 3.788 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](CC)[C@@H](C)CC ZINC000661103109 411704409 /nfs/dbraw/zinc/70/44/09/411704409.db2.gz DTPFVNQKMRHACV-WDEREUQCSA-N 1 0 221.335 3.788 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cccc(C(C)=O)c1 ZINC000661103191 410216273 /nfs/dbraw/zinc/21/62/73/410216273.db2.gz FHEDNYNIVQQKJP-GFCCVEGCSA-N 1 0 233.355 3.510 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cccc(C(C)=O)c1 ZINC000661103208 410215526 /nfs/dbraw/zinc/21/55/26/410215526.db2.gz FHEDNYNIVQQKJP-LBPRGKRZSA-N 1 0 233.355 3.510 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cnc2ccccc2c1 ZINC000661103503 410222561 /nfs/dbraw/zinc/22/25/61/410222561.db2.gz GQGLTWXQQITSPI-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cnc2ccccc2c1 ZINC000661103505 410220467 /nfs/dbraw/zinc/22/04/67/410220467.db2.gz GQGLTWXQQITSPI-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CCCc1nc(C)c(C[N@H+](CC)[C@H](C)CC)o1 ZINC000661103570 410220872 /nfs/dbraw/zinc/22/08/72/410220872.db2.gz HEDIHNXSAVQILD-LLVKDONJSA-N 1 0 238.375 3.556 20 0 BHADRO CCCc1nc(C)c(C[N@H+](CC)[C@@H](C)CC)o1 ZINC000661103571 410220433 /nfs/dbraw/zinc/22/04/33/410220433.db2.gz HEDIHNXSAVQILD-NSHDSACASA-N 1 0 238.375 3.556 20 0 BHADRO CC[C@H](C)[N@H+](CC)CCCCC1CCOCC1 ZINC000661103820 411708164 /nfs/dbraw/zinc/70/81/64/411708164.db2.gz HXWDLMYZRQNDSX-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CCCCC1CCOCC1 ZINC000661103824 411708217 /nfs/dbraw/zinc/70/82/17/411708217.db2.gz HXWDLMYZRQNDSX-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1nc2ccccc2s1 ZINC000661104003 410225023 /nfs/dbraw/zinc/22/50/23/410225023.db2.gz JFTQFEAJOQUMLJ-LLVKDONJSA-N 1 0 248.395 3.917 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1nc2ccccc2s1 ZINC000661104004 410224815 /nfs/dbraw/zinc/22/48/15/410224815.db2.gz JFTQFEAJOQUMLJ-NSHDSACASA-N 1 0 248.395 3.917 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cccc2cccnc21 ZINC000661104065 410223815 /nfs/dbraw/zinc/22/38/15/410223815.db2.gz JRXAXPJCIJFUDI-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cccc2cccnc21 ZINC000661104068 410225671 /nfs/dbraw/zinc/22/56/71/410225671.db2.gz JRXAXPJCIJFUDI-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC000661104259 410230709 /nfs/dbraw/zinc/23/07/09/410230709.db2.gz KFNQXCGUTQKUDH-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC000661104260 410230507 /nfs/dbraw/zinc/23/05/07/410230507.db2.gz KFNQXCGUTQKUDH-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC000661105141 411708643 /nfs/dbraw/zinc/70/86/43/411708643.db2.gz FYVJPINHRDOKSQ-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC000661105143 411707284 /nfs/dbraw/zinc/70/72/84/411707284.db2.gz FYVJPINHRDOKSQ-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CC1CCC(F)(F)CC1 ZINC000661105345 488016218 /nfs/dbraw/zinc/01/62/18/488016218.db2.gz VYLOSINFHFJILF-LLVKDONJSA-N 1 0 233.346 3.932 20 0 BHADRO CC[C@H](C)[N@H+](CC)CC1CCC(F)(F)CC1 ZINC000661105346 488016241 /nfs/dbraw/zinc/01/62/41/488016241.db2.gz VYLOSINFHFJILF-NSHDSACASA-N 1 0 233.346 3.932 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CCCCOC(C)(C)C ZINC000661105418 410242719 /nfs/dbraw/zinc/24/27/19/410242719.db2.gz XDMDBBBFHJQVGO-CYBMUJFWSA-N 1 0 229.408 3.702 20 0 BHADRO CC[C@H](C)[N@H+](CC)CCCCOC(C)(C)C ZINC000661105427 410243793 /nfs/dbraw/zinc/24/37/93/410243793.db2.gz XDMDBBBFHJQVGO-ZDUSSCGKSA-N 1 0 229.408 3.702 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000661105436 410242833 /nfs/dbraw/zinc/24/28/33/410242833.db2.gz XEHGUHFHKPHLGT-KBPBESRZSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000661105437 410243157 /nfs/dbraw/zinc/24/31/57/410243157.db2.gz XEHGUHFHKPHLGT-KGLIPLIRSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000661105439 410242960 /nfs/dbraw/zinc/24/29/60/410242960.db2.gz XEHGUHFHKPHLGT-UONOGXRCSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000661105443 410244016 /nfs/dbraw/zinc/24/40/16/410244016.db2.gz XEHGUHFHKPHLGT-ZIAGYGMSSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1csc(C(C)C)n1 ZINC000661106238 411710122 /nfs/dbraw/zinc/71/01/22/411710122.db2.gz MMHMNRWFYWXCIK-LLVKDONJSA-N 1 0 240.416 3.887 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1csc(C(C)C)n1 ZINC000661106239 411711766 /nfs/dbraw/zinc/71/17/66/411711766.db2.gz MMHMNRWFYWXCIK-NSHDSACASA-N 1 0 240.416 3.887 20 0 BHADRO CCCc1nc(C[N@H+](CC)[C@H](C)CC)cs1 ZINC000661106255 410250763 /nfs/dbraw/zinc/25/07/63/410250763.db2.gz MTIVKRZHZXUGPO-LLVKDONJSA-N 1 0 240.416 3.716 20 0 BHADRO CCCc1nc(C[N@H+](CC)[C@@H](C)CC)cs1 ZINC000661106256 410250676 /nfs/dbraw/zinc/25/06/76/410250676.db2.gz MTIVKRZHZXUGPO-NSHDSACASA-N 1 0 240.416 3.716 20 0 BHADRO CC[C@H](C)[N@H+](CC)CCCCC(F)(F)F ZINC000661106992 411710692 /nfs/dbraw/zinc/71/06/92/411710692.db2.gz KERCGCKFJPZBBK-JTQLQIEISA-N 1 0 225.298 3.839 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CCCCC(F)(F)F ZINC000661106994 411711832 /nfs/dbraw/zinc/71/18/32/411711832.db2.gz KERCGCKFJPZBBK-SNVBAGLBSA-N 1 0 225.298 3.839 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1csc(C2CC2)n1 ZINC000661107009 411711455 /nfs/dbraw/zinc/71/14/55/411711455.db2.gz KKPJFRFVTIJVGK-JTQLQIEISA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1csc(C2CC2)n1 ZINC000661107013 411711117 /nfs/dbraw/zinc/71/11/17/411711117.db2.gz KKPJFRFVTIJVGK-SNVBAGLBSA-N 1 0 238.400 3.641 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000661107577 411710503 /nfs/dbraw/zinc/71/05/03/411710503.db2.gz SBALLSVOIAPYRT-LLVKDONJSA-N 1 0 248.326 3.555 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000661107578 411710219 /nfs/dbraw/zinc/71/02/19/411710219.db2.gz SBALLSVOIAPYRT-NSHDSACASA-N 1 0 248.326 3.555 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC000661108354 411712078 /nfs/dbraw/zinc/71/20/78/411712078.db2.gz SMEBUWQPTNIWJD-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC000661108355 411712180 /nfs/dbraw/zinc/71/21/80/411712180.db2.gz SMEBUWQPTNIWJD-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1nc(C[NH2+][C@H]2CCCC23CCCCC3)co1 ZINC000661127934 411715178 /nfs/dbraw/zinc/71/51/78/411715178.db2.gz NZQXOTLZJSHRSV-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1nc(C[NH2+][C@@H]2CCCC23CCCCC3)co1 ZINC000661127935 411715200 /nfs/dbraw/zinc/71/52/00/411715200.db2.gz NZQXOTLZJSHRSV-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO C[N@H+](Cc1cccc2ncccc12)C1CCCC1 ZINC000661130080 411715300 /nfs/dbraw/zinc/71/53/00/411715300.db2.gz BUSCPONJXYISOK-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cccc2ncccc12 ZINC000661130238 411715169 /nfs/dbraw/zinc/71/51/69/411715169.db2.gz CUWQYAFQCHDMTE-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cccc2ncccc12 ZINC000661130239 411715077 /nfs/dbraw/zinc/71/50/77/411715077.db2.gz CUWQYAFQCHDMTE-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc2ncccc12 ZINC000661130359 411715060 /nfs/dbraw/zinc/71/50/60/411715060.db2.gz FVBGVBCQBDCVMP-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc2ncccc12 ZINC000661130360 411715132 /nfs/dbraw/zinc/71/51/32/411715132.db2.gz FVBGVBCQBDCVMP-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc2ncccc12 ZINC000661131702 411714967 /nfs/dbraw/zinc/71/49/67/411714967.db2.gz RXLBROXRMNYIPZ-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc2ncccc12 ZINC000661131703 411715679 /nfs/dbraw/zinc/71/56/79/411715679.db2.gz RXLBROXRMNYIPZ-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCCF ZINC000661133937 410292730 /nfs/dbraw/zinc/29/27/30/410292730.db2.gz WWQBPEACFOJVPC-AWEZNQCLSA-N 1 0 235.346 3.800 20 0 BHADRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCCF ZINC000661133941 410293125 /nfs/dbraw/zinc/29/31/25/410293125.db2.gz WWQBPEACFOJVPC-CQSZACIVSA-N 1 0 235.346 3.800 20 0 BHADRO CC(C)(C)[N@@H+](Cc1ccsc1)CC1CC1 ZINC000661136746 411717609 /nfs/dbraw/zinc/71/76/09/411717609.db2.gz UMAAJBWPURSZGO-UHFFFAOYSA-N 1 0 223.385 3.759 20 0 BHADRO CC(C)(C)[N@H+](CCCF)Cc1ccsc1 ZINC000661136788 488069449 /nfs/dbraw/zinc/06/94/49/488069449.db2.gz VKFRQEROJULCKA-UHFFFAOYSA-N 1 0 229.364 3.708 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cccc2ncccc12 ZINC000661136814 411717618 /nfs/dbraw/zinc/71/76/18/411717618.db2.gz LHIVZARVVXBMHZ-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661137821 411716229 /nfs/dbraw/zinc/71/62/29/411716229.db2.gz VDNYJJUXIOZMMR-UHFFFAOYSA-N 1 0 211.374 3.759 20 0 BHADRO FCCCCC[NH+]1CCC(c2ccco2)CC1 ZINC000661160747 410312063 /nfs/dbraw/zinc/31/20/63/410312063.db2.gz CKWACBATLSKGNE-UHFFFAOYSA-N 1 0 239.334 3.599 20 0 BHADRO CC(C)=CCC[NH+]1CCC(c2ccco2)CC1 ZINC000661160907 411724537 /nfs/dbraw/zinc/72/45/37/411724537.db2.gz GKEXYAYOIOGTNO-UHFFFAOYSA-N 1 0 233.355 3.815 20 0 BHADRO CC[C@@H](C)C[NH+]1CCC(c2ccco2)CC1 ZINC000661160931 410311777 /nfs/dbraw/zinc/31/17/77/410311777.db2.gz HCCGQUCTYIKODW-GFCCVEGCSA-N 1 0 221.344 3.505 20 0 BHADRO CC[C@H](C)C[NH+]1CCC(c2ccco2)CC1 ZINC000661160933 410312288 /nfs/dbraw/zinc/31/22/88/410312288.db2.gz HCCGQUCTYIKODW-LBPRGKRZSA-N 1 0 221.344 3.505 20 0 BHADRO c1coc(C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000661160954 410312009 /nfs/dbraw/zinc/31/20/09/410312009.db2.gz HOHDDAOHYSSTES-UHFFFAOYSA-N 1 0 247.363 3.721 20 0 BHADRO c1coc(C2CC[NH+](CC3=CCCC3)CC2)c1 ZINC000661161180 411724198 /nfs/dbraw/zinc/72/41/98/411724198.db2.gz MWKCEYPLYOJBOB-UHFFFAOYSA-N 1 0 231.339 3.569 20 0 BHADRO CCC[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661161327 411724141 /nfs/dbraw/zinc/72/41/41/411724141.db2.gz PWRSVUWISVQVJN-GFCCVEGCSA-N 1 0 221.344 3.648 20 0 BHADRO CCC[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661161328 411723746 /nfs/dbraw/zinc/72/37/46/411723746.db2.gz PWRSVUWISVQVJN-LBPRGKRZSA-N 1 0 221.344 3.648 20 0 BHADRO c1coc(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC000661161596 411723793 /nfs/dbraw/zinc/72/37/93/411723793.db2.gz XJSSOKBBHSZEPW-YOWGUQMCSA-N 1 0 245.366 3.505 20 0 BHADRO CC(C)CC[NH+]1CCC(c2ccco2)CC1 ZINC000661162088 411724054 /nfs/dbraw/zinc/72/40/54/411724054.db2.gz GCGXABBUWHXNBR-UHFFFAOYSA-N 1 0 221.344 3.505 20 0 BHADRO c1coc(C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000661162127 411724209 /nfs/dbraw/zinc/72/42/09/411724209.db2.gz HZRBLYGXIQVFNF-UHFFFAOYSA-N 1 0 247.363 3.721 20 0 BHADRO c1coc(C2CC[NH+]([C@H]3C=CCCC3)CC2)c1 ZINC000661164014 411723895 /nfs/dbraw/zinc/72/38/95/411723895.db2.gz SAFZMYHSAQSADB-AWEZNQCLSA-N 1 0 231.339 3.568 20 0 BHADRO c1coc(C2CC[NH+]([C@@H]3C=CCCC3)CC2)c1 ZINC000661164016 411724693 /nfs/dbraw/zinc/72/46/93/411724693.db2.gz SAFZMYHSAQSADB-CQSZACIVSA-N 1 0 231.339 3.568 20 0 BHADRO c1coc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000661165631 411726167 /nfs/dbraw/zinc/72/61/67/411726167.db2.gz WPLGMHBASMYCKJ-UHFFFAOYSA-N 1 0 241.334 3.659 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CCCC3)CC2)on1 ZINC000661226606 411735744 /nfs/dbraw/zinc/73/57/44/411735744.db2.gz CSCVRCYLSLQFTK-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CCCC3)CC2)no1 ZINC000661227664 411735189 /nfs/dbraw/zinc/73/51/89/411735189.db2.gz KBURIZDUIOETCG-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO c1cncc(C[N@@H+]2CCCC3(CCCC3)CC2)c1 ZINC000661227667 411735298 /nfs/dbraw/zinc/73/52/98/411735298.db2.gz KESAFEHCHZIVSE-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO c1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)nc1 ZINC000661228684 411735661 /nfs/dbraw/zinc/73/56/61/411735661.db2.gz SWRHZGFBIUQGBA-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO Cc1cnc(C[N@@H+]2CCCC3(CCCC3)CC2)o1 ZINC000661229542 411735831 /nfs/dbraw/zinc/73/58/31/411735831.db2.gz IEMAHWZVGDTESK-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCC3)CC2)ccn1 ZINC000661229911 411735386 /nfs/dbraw/zinc/73/53/86/411735386.db2.gz PZWPCMGXCKGXPO-UHFFFAOYSA-N 1 0 244.382 3.628 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC000661230509 411737086 /nfs/dbraw/zinc/73/70/86/411737086.db2.gz CAOHMBYQMIIKPF-LLVKDONJSA-N 1 0 240.416 3.674 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC000661230510 411736886 /nfs/dbraw/zinc/73/68/86/411736886.db2.gz CAOHMBYQMIIKPF-NSHDSACASA-N 1 0 240.416 3.674 20 0 BHADRO Cc1nc(C[N@@H+]2CCCC3(CCCC3)CC2)co1 ZINC000661230939 411737356 /nfs/dbraw/zinc/73/73/56/411737356.db2.gz HPFYYYBUHFFSSC-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000661231171 411738309 /nfs/dbraw/zinc/73/83/09/411738309.db2.gz IIFHEARBSDLNGX-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000661231172 411737045 /nfs/dbraw/zinc/73/70/45/411737045.db2.gz IIFHEARBSDLNGX-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO Cc1nocc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661231374 410380407 /nfs/dbraw/zinc/38/04/07/410380407.db2.gz MAHSMESTIKJDBB-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCCOC(C)(C)C ZINC000661231978 411738243 /nfs/dbraw/zinc/73/82/43/411738243.db2.gz TXBVKZMXKLSJPQ-CYBMUJFWSA-N 1 0 243.435 3.996 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCCOC(C)(C)C ZINC000661231979 411737061 /nfs/dbraw/zinc/73/70/61/411737061.db2.gz TXBVKZMXKLSJPQ-ZDUSSCGKSA-N 1 0 243.435 3.996 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C)nc1C ZINC000661232001 411737994 /nfs/dbraw/zinc/73/79/94/411737994.db2.gz URSJPRPPGHSERQ-CYBMUJFWSA-N 1 0 234.387 3.613 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C)nc1C ZINC000661232002 411737254 /nfs/dbraw/zinc/73/72/54/411737254.db2.gz URSJPRPPGHSERQ-ZDUSSCGKSA-N 1 0 234.387 3.613 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)C(C)(C)CC)nc1 ZINC000661232252 410382886 /nfs/dbraw/zinc/38/28/86/410382886.db2.gz VVXHQMVNLLBWQF-GFCCVEGCSA-N 1 0 234.387 3.558 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)C(C)(C)CC)nc1 ZINC000661232253 410382457 /nfs/dbraw/zinc/38/24/57/410382457.db2.gz VVXHQMVNLLBWQF-LBPRGKRZSA-N 1 0 234.387 3.558 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCCCF ZINC000661232466 411737548 /nfs/dbraw/zinc/73/75/48/411737548.db2.gz YYRXXENTDQPKIE-LLVKDONJSA-N 1 0 203.345 3.541 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCCCF ZINC000661232467 411737324 /nfs/dbraw/zinc/73/73/24/411737324.db2.gz YYRXXENTDQPKIE-NSHDSACASA-N 1 0 203.345 3.541 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000661233486 411737668 /nfs/dbraw/zinc/73/76/68/411737668.db2.gz HEDYYOOSNUQANL-LLVKDONJSA-N 1 0 246.354 3.742 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000661233487 411737717 /nfs/dbraw/zinc/73/77/17/411737717.db2.gz HEDYYOOSNUQANL-NSHDSACASA-N 1 0 246.354 3.742 20 0 BHADRO Cc1cnc([C@@H](C)[NH+]2CCC(C3CCC3)CC2)o1 ZINC000661373373 411758915 /nfs/dbraw/zinc/75/89/15/411758915.db2.gz BLSVDDHYJCWAOU-GFCCVEGCSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[NH+]2CCC(C3CCC3)CC2)o1 ZINC000661373374 411758950 /nfs/dbraw/zinc/75/89/50/411758950.db2.gz BLSVDDHYJCWAOU-LBPRGKRZSA-N 1 0 248.370 3.556 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CCC(C2CCC2)CC1 ZINC000661375005 411758485 /nfs/dbraw/zinc/75/84/85/411758485.db2.gz RQJILXOJEHRACZ-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[NH+]1CCC(C2CCC2)CC1 ZINC000661375006 411758514 /nfs/dbraw/zinc/75/85/14/411758514.db2.gz RQJILXOJEHRACZ-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CCC(C2CCC2)CC1 ZINC000661375611 411758734 /nfs/dbraw/zinc/75/87/34/411758734.db2.gz BIAFIGLTVZJRLH-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CCC(C2CCC2)CC1 ZINC000661375612 411758861 /nfs/dbraw/zinc/75/88/61/411758861.db2.gz BIAFIGLTVZJRLH-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[NH+]1CCC(C2CCC2)CC1 ZINC000661376230 411761094 /nfs/dbraw/zinc/76/10/94/411761094.db2.gz HJTICUSTNPDIKO-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[NH+]1CCC(C2CCC2)CC1 ZINC000661376237 411760938 /nfs/dbraw/zinc/76/09/38/411760938.db2.gz HJTICUSTNPDIKO-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cscn1 ZINC000661414163 411771124 /nfs/dbraw/zinc/77/11/24/411771124.db2.gz KTBTYBOJPZOPCI-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cscn1 ZINC000661414164 411772535 /nfs/dbraw/zinc/77/25/35/411772535.db2.gz KTBTYBOJPZOPCI-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cscn1 ZINC000661416243 411771791 /nfs/dbraw/zinc/77/17/91/411771791.db2.gz XGLKTTDSIPSJMJ-NEPJUHHUSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cscn1 ZINC000661416244 411772561 /nfs/dbraw/zinc/77/25/61/411772561.db2.gz XGLKTTDSIPSJMJ-NWDGAFQWSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cscn1 ZINC000661416245 411772328 /nfs/dbraw/zinc/77/23/28/411772328.db2.gz XGLKTTDSIPSJMJ-RYUDHWBXSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cscn1 ZINC000661416246 411771580 /nfs/dbraw/zinc/77/15/80/411771580.db2.gz XGLKTTDSIPSJMJ-VXGBXAGGSA-N 1 0 236.384 3.683 20 0 BHADRO CC[C@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435055 411774406 /nfs/dbraw/zinc/77/44/06/411774406.db2.gz FPRSCSCHCVHYAI-GXTWGEPZSA-N 1 0 233.355 3.995 20 0 BHADRO CC[C@H](C)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435056 411773993 /nfs/dbraw/zinc/77/39/93/411773993.db2.gz FPRSCSCHCVHYAI-JSGCOSHPSA-N 1 0 233.355 3.995 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435057 411775736 /nfs/dbraw/zinc/77/57/36/411775736.db2.gz FPRSCSCHCVHYAI-OCCSQVGLSA-N 1 0 233.355 3.995 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435058 411774906 /nfs/dbraw/zinc/77/49/06/411774906.db2.gz FPRSCSCHCVHYAI-TZMCWYRMSA-N 1 0 233.355 3.995 20 0 BHADRO c1coc([C@@H]2[N@H+](CC3CCC3)CC23CCCC3)c1 ZINC000661436379 411775974 /nfs/dbraw/zinc/77/59/74/411775974.db2.gz SQIKPIKIXXSLRF-HNNXBMFYSA-N 1 0 245.366 3.997 20 0 BHADRO c1coc([C@H]2[N@H+](CC3CCC3)CC23CCCC3)c1 ZINC000661436380 411775032 /nfs/dbraw/zinc/77/50/32/411775032.db2.gz SQIKPIKIXXSLRF-OAHLLOKOSA-N 1 0 245.366 3.997 20 0 BHADRO CC(C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440604 411779076 /nfs/dbraw/zinc/77/90/76/411779076.db2.gz RLUODMQEACJLRP-CYBMUJFWSA-N 1 0 219.328 3.605 20 0 BHADRO CC(C)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440605 411778829 /nfs/dbraw/zinc/77/88/29/411778829.db2.gz RLUODMQEACJLRP-ZDUSSCGKSA-N 1 0 219.328 3.605 20 0 BHADRO CC(C)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661445699 411777607 /nfs/dbraw/zinc/77/76/07/411777607.db2.gz KAQJTTXNZZLEMS-AWEZNQCLSA-N 1 0 233.355 3.853 20 0 BHADRO CC(C)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661445701 411778466 /nfs/dbraw/zinc/77/84/66/411778466.db2.gz KAQJTTXNZZLEMS-CQSZACIVSA-N 1 0 233.355 3.853 20 0 BHADRO FCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446227 411777842 /nfs/dbraw/zinc/77/78/42/411777842.db2.gz MOIZKBCBXDSPDT-CYBMUJFWSA-N 1 0 237.318 3.556 20 0 BHADRO FCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446228 411777678 /nfs/dbraw/zinc/77/76/78/411777678.db2.gz MOIZKBCBXDSPDT-ZDUSSCGKSA-N 1 0 237.318 3.556 20 0 BHADRO CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446237 411777545 /nfs/dbraw/zinc/77/75/45/411777545.db2.gz MPZCWQVAJINEMW-CYBMUJFWSA-N 1 0 219.328 3.607 20 0 BHADRO CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446242 411777911 /nfs/dbraw/zinc/77/79/11/411777911.db2.gz MPZCWQVAJINEMW-ZDUSSCGKSA-N 1 0 219.328 3.607 20 0 BHADRO c1coc([C@@H]2[N@H+](CC3CC3)CC23CCCC3)c1 ZINC000661446323 411779125 /nfs/dbraw/zinc/77/91/25/411779125.db2.gz MUGAVYUJSXYWNV-AWEZNQCLSA-N 1 0 231.339 3.607 20 0 BHADRO c1coc([C@H]2[N@H+](CC3CC3)CC23CCCC3)c1 ZINC000661446325 411780291 /nfs/dbraw/zinc/78/02/91/411780291.db2.gz MUGAVYUJSXYWNV-CQSZACIVSA-N 1 0 231.339 3.607 20 0 BHADRO CC(C)[C@H]([NH2+]CCCCF)c1ccccc1F ZINC000661483562 411785744 /nfs/dbraw/zinc/78/57/44/411785744.db2.gz HBOSIHAILMBMLZ-AWEZNQCLSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCCF)c1ccccc1F ZINC000661483567 411785490 /nfs/dbraw/zinc/78/54/90/411785490.db2.gz HBOSIHAILMBMLZ-CQSZACIVSA-N 1 0 241.325 3.862 20 0 BHADRO CC(C)=CCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661506750 411791216 /nfs/dbraw/zinc/79/12/16/411791216.db2.gz HJUYQDRGKAPJLM-HNNXBMFYSA-N 1 0 233.330 3.929 20 0 BHADRO CC(C)=CCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661506752 411791173 /nfs/dbraw/zinc/79/11/73/411791173.db2.gz HJUYQDRGKAPJLM-OAHLLOKOSA-N 1 0 233.330 3.929 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2CC2CC=CC2)cc1 ZINC000661508668 411792303 /nfs/dbraw/zinc/79/23/03/411792303.db2.gz PUWVFQXGVGJBQC-HNNXBMFYSA-N 1 0 231.314 3.539 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2CC2CC=CC2)cc1 ZINC000661508670 411792272 /nfs/dbraw/zinc/79/22/72/411792272.db2.gz PUWVFQXGVGJBQC-OAHLLOKOSA-N 1 0 231.314 3.539 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2CC2=CCCC2)cc1 ZINC000661510008 410718862 /nfs/dbraw/zinc/71/88/62/410718862.db2.gz SEWUXVWBHWNBLZ-HNNXBMFYSA-N 1 0 231.314 3.683 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2CC2=CCCC2)cc1 ZINC000661510038 410718960 /nfs/dbraw/zinc/71/89/60/410718960.db2.gz SEWUXVWBHWNBLZ-OAHLLOKOSA-N 1 0 231.314 3.683 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000661510349 411791441 /nfs/dbraw/zinc/79/14/41/411791441.db2.gz GHXADTYWEVXKND-CABCVRRESA-N 1 0 231.314 3.681 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000661510352 411791462 /nfs/dbraw/zinc/79/14/62/411791462.db2.gz GHXADTYWEVXKND-GJZGRUSLSA-N 1 0 231.314 3.681 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000661510353 411792474 /nfs/dbraw/zinc/79/24/74/411792474.db2.gz GHXADTYWEVXKND-HUUCEWRRSA-N 1 0 231.314 3.681 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2[C@H]2C=CCCC2)cc1 ZINC000661510354 411791926 /nfs/dbraw/zinc/79/19/26/411791926.db2.gz GHXADTYWEVXKND-LSDHHAIUSA-N 1 0 231.314 3.681 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511769 411793578 /nfs/dbraw/zinc/79/35/78/411793578.db2.gz MFZIIYGAMNHAGM-AWEZNQCLSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511771 411794440 /nfs/dbraw/zinc/79/44/40/411794440.db2.gz MFZIIYGAMNHAGM-CQSZACIVSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512653 411794833 /nfs/dbraw/zinc/79/48/33/411794833.db2.gz LONCKVYEVRFHTD-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512654 411794471 /nfs/dbraw/zinc/79/44/71/411794471.db2.gz LONCKVYEVRFHTD-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512656 411793506 /nfs/dbraw/zinc/79/35/06/411793506.db2.gz LONCKVYEVRFHTD-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512658 411793613 /nfs/dbraw/zinc/79/36/13/411793613.db2.gz LONCKVYEVRFHTD-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514902 411793212 /nfs/dbraw/zinc/79/32/12/411793212.db2.gz UDBTZXRYFVVNOG-AWEZNQCLSA-N 1 0 239.309 3.712 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514903 411794807 /nfs/dbraw/zinc/79/48/07/411794807.db2.gz UDBTZXRYFVVNOG-CQSZACIVSA-N 1 0 239.309 3.712 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515038 411793332 /nfs/dbraw/zinc/79/33/32/411793332.db2.gz UKNPIDSYOUOSFK-AWEZNQCLSA-N 1 0 219.303 3.539 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515039 411794358 /nfs/dbraw/zinc/79/43/58/411794358.db2.gz UKNPIDSYOUOSFK-CQSZACIVSA-N 1 0 219.303 3.539 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000661515187 411794586 /nfs/dbraw/zinc/79/45/86/411794586.db2.gz ZUCACMTXQKOTEH-INIZCTEOSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000661515188 411794417 /nfs/dbraw/zinc/79/44/17/411794417.db2.gz ZUCACMTXQKOTEH-MRXNPFEDSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1ccc([C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000661515303 411793185 /nfs/dbraw/zinc/79/31/85/411793185.db2.gz WYNNBRFACCMNKD-AWEZNQCLSA-N 1 0 219.303 3.515 20 0 BHADRO Fc1ccc([C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000661515304 411794235 /nfs/dbraw/zinc/79/42/35/411794235.db2.gz WYNNBRFACCMNKD-CQSZACIVSA-N 1 0 219.303 3.515 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2nccs2)C1 ZINC000661671564 411141358 /nfs/dbraw/zinc/14/13/58/411141358.db2.gz DQCDKLHUYCXIQE-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CCC1(CC)CCC[N@H+](CCc2ccncc2)C1 ZINC000661673292 411834738 /nfs/dbraw/zinc/83/47/38/411834738.db2.gz TVAHFDPFMASHDE-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2cncs2)C1 ZINC000661673670 411834189 /nfs/dbraw/zinc/83/41/89/411834189.db2.gz WWKBNRHUBIYSPV-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO CCC1(CC)CCC[N@H+](CCc2ccccn2)C1 ZINC000661673865 411834319 /nfs/dbraw/zinc/83/43/19/411834319.db2.gz FSVSXJDBVRQTET-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC1(CC)CCC[N@H+](CCc2cccnc2)C1 ZINC000661673990 411834391 /nfs/dbraw/zinc/83/43/91/411834391.db2.gz XPPRTKJFSLZFLB-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCC1(CC)CCC[N@H+](Cc2cscn2)C1 ZINC000661675699 411834180 /nfs/dbraw/zinc/83/41/80/411834180.db2.gz XRVJBWCZSCJTCZ-UHFFFAOYSA-N 1 0 238.400 3.545 20 0 BHADRO FCC[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 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Cc1ccccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661693880 411843268 /nfs/dbraw/zinc/84/32/68/411843268.db2.gz AUPLQGIJQBOYBB-AWEZNQCLSA-N 1 0 235.346 3.567 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661693881 411843857 /nfs/dbraw/zinc/84/38/57/411843857.db2.gz AUPLQGIJQBOYBB-CQSZACIVSA-N 1 0 235.346 3.567 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000661695046 411843325 /nfs/dbraw/zinc/84/33/25/411843325.db2.gz CBDBEFHWAKMDSB-AWEZNQCLSA-N 1 0 235.346 3.567 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000661695047 411844159 /nfs/dbraw/zinc/84/41/59/411844159.db2.gz CBDBEFHWAKMDSB-CQSZACIVSA-N 1 0 235.346 3.567 20 0 BHADRO FCC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000661695723 411843948 /nfs/dbraw/zinc/84/39/48/411843948.db2.gz HXYQFPNZDNHCQS-FAOGRTBUSA-N 1 0 247.357 3.771 20 0 BHADRO FCC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000661695724 411842907 /nfs/dbraw/zinc/84/29/07/411842907.db2.gz HXYQFPNZDNHCQS-KZJSRBBCSA-N 1 0 247.357 3.771 20 0 BHADRO 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411923855 /nfs/dbraw/zinc/92/38/55/411923855.db2.gz GQVUZJAHNAQBOP-RAIGVLPGSA-N 1 0 235.758 3.743 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966334 411923506 /nfs/dbraw/zinc/92/35/06/411923506.db2.gz GQVUZJAHNAQBOP-WXHSDQCUSA-N 1 0 235.758 3.743 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967458 411925455 /nfs/dbraw/zinc/92/54/55/411925455.db2.gz DPHHMPACRYTTJF-HFAKWTLXSA-N 1 0 247.769 3.669 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661967460 411925828 /nfs/dbraw/zinc/92/58/28/411925828.db2.gz DPHHMPACRYTTJF-PGUXBMHVSA-N 1 0 247.769 3.669 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000661968831 411925888 /nfs/dbraw/zinc/92/58/88/411925888.db2.gz HUHRJPXXVLSORC-HEHGZKQESA-N 1 0 245.341 3.545 20 0 BHADRO Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000661968833 411925185 /nfs/dbraw/zinc/92/51/85/411925185.db2.gz HUHRJPXXVLSORC-XJKCOSOUSA-N 1 0 245.341 3.545 20 0 BHADRO c1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968926 411337878 /nfs/dbraw/zinc/33/78/78/411337878.db2.gz BAWZCUIGJLXTCU-RYUDHWBXSA-N 1 0 243.375 3.743 20 0 BHADRO c1sc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968929 411338157 /nfs/dbraw/zinc/33/81/57/411338157.db2.gz BAWZCUIGJLXTCU-VXGBXAGGSA-N 1 0 243.375 3.743 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970247 411927424 /nfs/dbraw/zinc/92/74/24/411927424.db2.gz DZQPHRPEKPMXIN-IJLUTSLNSA-N 1 0 235.758 3.743 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970251 411927976 /nfs/dbraw/zinc/92/79/76/411927976.db2.gz DZQPHRPEKPMXIN-WOPDTQHZSA-N 1 0 235.758 3.743 20 0 BHADRO c1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970775 411927178 /nfs/dbraw/zinc/92/71/78/411927178.db2.gz MGPQLXRNXDVCSC-AAEUAGOBSA-N 1 0 243.375 3.743 20 0 BHADRO c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970776 411926853 /nfs/dbraw/zinc/92/68/53/411926853.db2.gz MGPQLXRNXDVCSC-DGCLKSJQSA-N 1 0 243.375 3.743 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661976469 411342273 /nfs/dbraw/zinc/34/22/73/411342273.db2.gz SSSQCCKUTHFHMS-RAIGVLPGSA-N 1 0 235.758 3.743 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661976473 411342486 /nfs/dbraw/zinc/34/24/86/411342486.db2.gz SSSQCCKUTHFHMS-WXHSDQCUSA-N 1 0 235.758 3.743 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661977813 411342851 /nfs/dbraw/zinc/34/28/51/411342851.db2.gz ZSMTVGMZAFDDAJ-KCQAQPDRSA-N 1 0 233.330 3.619 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661977814 411342991 /nfs/dbraw/zinc/34/29/91/411342991.db2.gz ZSMTVGMZAFDDAJ-UMVBOHGHSA-N 1 0 233.330 3.619 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661997539 411937161 /nfs/dbraw/zinc/93/71/61/411937161.db2.gz AYGXUUQQZZJHQG-IAIPMJPWSA-N 1 0 227.367 3.849 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661997541 411937228 /nfs/dbraw/zinc/93/72/28/411937228.db2.gz AYGXUUQQZZJHQG-LPMOYNFMSA-N 1 0 227.367 3.849 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661997542 411938267 /nfs/dbraw/zinc/93/82/67/411938267.db2.gz AYGXUUQQZZJHQG-POWVLPOZSA-N 1 0 227.367 3.849 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661997543 411937238 /nfs/dbraw/zinc/93/72/38/411937238.db2.gz AYGXUUQQZZJHQG-VOHVELJQSA-N 1 0 227.367 3.849 20 0 BHADRO C[C@H]([NH2+]CCCCCF)C1CCC(F)CC1 ZINC000661998451 488104335 /nfs/dbraw/zinc/10/43/35/488104335.db2.gz KBVKSLXWOBTJAO-HIFPTAJRSA-N 1 0 233.346 3.633 20 0 BHADRO C[C@@H]([NH2+]CCCCCF)C1CCC(F)CC1 ZINC000661998452 488104584 /nfs/dbraw/zinc/10/45/84/488104584.db2.gz KBVKSLXWOBTJAO-PNESKVBLSA-N 1 0 233.346 3.633 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC1)C1CCC(F)CC1 ZINC000661998457 411938178 /nfs/dbraw/zinc/93/81/78/411938178.db2.gz KEEFNDBYDANWQD-HIFPTAJRSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC1)C1CCC(F)CC1 ZINC000661998458 411938091 /nfs/dbraw/zinc/93/80/91/411938091.db2.gz KEEFNDBYDANWQD-PNESKVBLSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)C1CCC(F)CC1 ZINC000661998465 411937712 /nfs/dbraw/zinc/93/77/12/411937712.db2.gz KEWRWTZRCWSTFG-LMWSTFAQSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)C1CCC(F)CC1 ZINC000661998466 411937353 /nfs/dbraw/zinc/93/73/53/411937353.db2.gz KEWRWTZRCWSTFG-XGNXJENSSA-N 1 0 227.367 3.683 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)C1CCC(F)CC1 ZINC000661998500 411937084 /nfs/dbraw/zinc/93/70/84/411937084.db2.gz KVTNWJOZWCBFEK-LMWSTFAQSA-N 1 0 225.351 3.603 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)C1CCC(F)CC1 ZINC000661998501 411937462 /nfs/dbraw/zinc/93/74/62/411937462.db2.gz KVTNWJOZWCBFEK-XGNXJENSSA-N 1 0 225.351 3.603 20 0 BHADRO CCCCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661998662 411939957 /nfs/dbraw/zinc/93/99/57/411939957.db2.gz LUXWLFZMWCAVBF-HIFPTAJRSA-N 1 0 215.356 3.683 20 0 BHADRO CCCCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661998663 411940012 /nfs/dbraw/zinc/94/00/12/411940012.db2.gz LUXWLFZMWCAVBF-PNESKVBLSA-N 1 0 215.356 3.683 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC(F)CC1 ZINC000661998782 411940049 /nfs/dbraw/zinc/94/00/49/411940049.db2.gz OLLGQBSWTLSACT-AUPCJMGISA-N 1 0 239.378 3.539 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC(F)CC1 ZINC000661998783 411939530 /nfs/dbraw/zinc/93/95/30/411939530.db2.gz OLLGQBSWTLSACT-CREMYZAGSA-N 1 0 239.378 3.539 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661999162 411939457 /nfs/dbraw/zinc/93/94/57/411939457.db2.gz RVXPIWLEKFUTNQ-HSBZDZAISA-N 1 0 227.367 3.849 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661999163 411939403 /nfs/dbraw/zinc/93/94/03/411939403.db2.gz RVXPIWLEKFUTNQ-IYXRBSQSSA-N 1 0 227.367 3.849 20 0 BHADRO C[C@@H]([NH2+]CCc1ccccc1)C1CCC(F)CC1 ZINC000662000738 411938975 /nfs/dbraw/zinc/93/89/75/411938975.db2.gz HWZVFFBEFHJUBE-IUDNXUCKSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H]([NH2+]CCc1ccccc1)C1CCC(F)CC1 ZINC000662000739 488105652 /nfs/dbraw/zinc/10/56/52/488105652.db2.gz HWZVFFBEFHJUBE-JEYLPNPQSA-N 1 0 249.373 3.736 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)C1CCC(F)CC1 ZINC000662005494 411941553 /nfs/dbraw/zinc/94/15/53/411941553.db2.gz LWYNGMAERGPYOS-ABXWRUBCSA-N 1 0 225.351 3.602 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)C1CCC(F)CC1 ZINC000662005497 411941251 /nfs/dbraw/zinc/94/12/51/411941251.db2.gz LWYNGMAERGPYOS-BLYZHGLHSA-N 1 0 225.351 3.602 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)C1CCC(F)CC1 ZINC000662005499 411940739 /nfs/dbraw/zinc/94/07/39/411940739.db2.gz LWYNGMAERGPYOS-GFJIZPEISA-N 1 0 225.351 3.602 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)C1CCC(F)CC1 ZINC000662005503 411941613 /nfs/dbraw/zinc/94/16/13/411941613.db2.gz LWYNGMAERGPYOS-RYSNWHEDSA-N 1 0 225.351 3.602 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662005785 411941559 /nfs/dbraw/zinc/94/15/59/411941559.db2.gz NFYRSRRQMIVYSY-HIFPTAJRSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662005786 411940594 /nfs/dbraw/zinc/94/05/94/411940594.db2.gz NFYRSRRQMIVYSY-PNESKVBLSA-N 1 0 215.356 3.539 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1cc(C)no1 ZINC000662034873 411953422 /nfs/dbraw/zinc/95/34/22/411953422.db2.gz AWJHAXCTYQEMSR-UHFFFAOYSA-N 1 0 238.375 3.631 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1conc1C ZINC000662034981 411953149 /nfs/dbraw/zinc/95/31/49/411953149.db2.gz CFNWVUUIUCMDAQ-UHFFFAOYSA-N 1 0 238.375 3.631 20 0 BHADRO CCC(CC)CCC[N@H+](C)CC[C@H]1CCOC1 ZINC000662037508 411955375 /nfs/dbraw/zinc/95/53/75/411955375.db2.gz LVFVNBNWBDTIEL-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)CCC[N@H+](C)CC[C@@H]1CCOC1 ZINC000662037510 411954877 /nfs/dbraw/zinc/95/48/77/411954877.db2.gz LVFVNBNWBDTIEL-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000662037611 411955857 /nfs/dbraw/zinc/95/58/57/411955857.db2.gz IPLHLQLDWIOPNP-HNNXBMFYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000662037616 411955336 /nfs/dbraw/zinc/95/53/36/411955336.db2.gz IPLHLQLDWIOPNP-OAHLLOKOSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1cncs1 ZINC000662038043 411956171 /nfs/dbraw/zinc/95/61/71/411956171.db2.gz NUYAIMMRVNXSCJ-UHFFFAOYSA-N 1 0 240.416 3.791 20 0 BHADRO CCC(CC)CCC[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000662038081 411944021 /nfs/dbraw/zinc/94/40/21/411944021.db2.gz NYKGNTBYCKFBMD-UKRRQHHQSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)CCC[N@H+](C)CC1CCOCC1 ZINC000662038887 411956116 /nfs/dbraw/zinc/95/61/16/411956116.db2.gz RLMVYMYUDBTZAC-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CCC(CC)CCC[N@H+](C)[C@H](C)c1cnccn1 ZINC000662040071 411957685 /nfs/dbraw/zinc/95/76/85/411957685.db2.gz ZKZLIPQIAARROM-CYBMUJFWSA-N 1 0 249.402 3.686 20 0 BHADRO CCC(CC)CCC[N@H+](C)[C@@H](C)c1cnccn1 ZINC000662040073 411958570 /nfs/dbraw/zinc/95/85/70/411958570.db2.gz ZKZLIPQIAARROM-ZDUSSCGKSA-N 1 0 249.402 3.686 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042855 411960822 /nfs/dbraw/zinc/96/08/22/411960822.db2.gz GAFNBORKYPBBPT-DZGCQCFKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662042858 411960776 /nfs/dbraw/zinc/96/07/76/411960776.db2.gz GAFNBORKYPBBPT-HIFRSBDPSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042860 411960367 /nfs/dbraw/zinc/96/03/67/411960367.db2.gz GAFNBORKYPBBPT-UKRRQHHQSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662042862 411961188 /nfs/dbraw/zinc/96/11/88/411961188.db2.gz GAFNBORKYPBBPT-ZFWWWQNUSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043770 411959842 /nfs/dbraw/zinc/95/98/42/411959842.db2.gz KUEOGLGNRFHAEW-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043771 411960515 /nfs/dbraw/zinc/96/05/15/411960515.db2.gz KUEOGLGNRFHAEW-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043772 411960453 /nfs/dbraw/zinc/96/04/53/411960453.db2.gz KUEOGLGNRFHAEW-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043775 411960567 /nfs/dbraw/zinc/96/05/67/411960567.db2.gz KUEOGLGNRFHAEW-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044549 411963797 /nfs/dbraw/zinc/96/37/97/411963797.db2.gz OXYLICLORXPDJQ-BBRMVZONSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044551 411963699 /nfs/dbraw/zinc/96/36/99/411963699.db2.gz OXYLICLORXPDJQ-CJNGLKHVSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044552 411963845 /nfs/dbraw/zinc/96/38/45/411963845.db2.gz OXYLICLORXPDJQ-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044553 411963015 /nfs/dbraw/zinc/96/30/15/411963015.db2.gz OXYLICLORXPDJQ-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C3CCC3)C2)o1 ZINC000662045633 411962300 /nfs/dbraw/zinc/96/23/00/411962300.db2.gz ZVXCCDDMLVGOKM-GXTWGEPZSA-N 1 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ONXTZGMBKVAJQM-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@H](C[NH2+]C1(CC(C)C)CC1)CC(F)F ZINC000662066633 411969250 /nfs/dbraw/zinc/96/92/50/411969250.db2.gz ONXTZGMBKVAJQM-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)CC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000662066773 411970308 /nfs/dbraw/zinc/97/03/08/411970308.db2.gz QOMQQPRGORVLKM-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)CC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000662066774 411969188 /nfs/dbraw/zinc/96/91/88/411969188.db2.gz QOMQQPRGORVLKM-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO CO[C@@H](C[NH2+]C1(CC(C)C)CC1)c1ccccc1 ZINC000662067529 411970208 /nfs/dbraw/zinc/97/02/08/411970208.db2.gz YOFBQGHUQCPEBG-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C[NH2+]C1(CC(C)C)CC1)c1ccccc1 ZINC000662067530 411970343 /nfs/dbraw/zinc/97/03/43/411970343.db2.gz YOFBQGHUQCPEBG-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)CC1([NH2+]CCCCOC(C)(C)C)CC1 ZINC000662071852 411972397 /nfs/dbraw/zinc/97/23/97/411972397.db2.gz NXHZAEAKXXDLGY-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)CC1([NH2+]CCCc2ccsc2)CC1 ZINC000662071982 411972274 /nfs/dbraw/zinc/97/22/74/411972274.db2.gz OMZQSXSJAGXNEW-UHFFFAOYSA-N 1 0 237.412 3.849 20 0 BHADRO CC(C)CC1([NH2+]CCCCC(F)(F)F)CC1 ZINC000662072284 411972045 /nfs/dbraw/zinc/97/20/45/411972045.db2.gz QGIBUEXXGHFCNN-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC[C@@H](C)O)C(C)C ZINC000662104327 411987423 /nfs/dbraw/zinc/98/74/23/411987423.db2.gz BRIUFLKJRNDODH-GDBMZVCRSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC[C@H](C)O)C(C)C ZINC000662104330 411988756 /nfs/dbraw/zinc/98/87/56/411988756.db2.gz BRIUFLKJRNDODH-GOEBONIOSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC[C@H](C)O)C(C)C ZINC000662104332 411987266 /nfs/dbraw/zinc/98/72/66/411987266.db2.gz BRIUFLKJRNDODH-HOCLYGCPSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC[C@@H](C)O)C(C)C ZINC000662104334 411988447 /nfs/dbraw/zinc/98/84/47/411988447.db2.gz BRIUFLKJRNDODH-ZBFHGGJFSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](O)C[N@H+](C(C)C)[C@@H](CC)c1ccccc1 ZINC000662109388 411988129 /nfs/dbraw/zinc/98/81/29/411988129.db2.gz VHGCEVSXFYJKTP-CVEARBPZSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](O)C[N@H+](C(C)C)[C@H](CC)c1ccccc1 ZINC000662109390 411988059 /nfs/dbraw/zinc/98/80/59/411988059.db2.gz VHGCEVSXFYJKTP-HZPDHXFCSA-N 1 0 249.398 3.619 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(F)(F)F ZINC000662130351 411996644 /nfs/dbraw/zinc/99/66/44/411996644.db2.gz SFPCUSMPPMTRGU-YOGCLGLASA-N 1 0 249.320 3.982 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000662130913 411996194 /nfs/dbraw/zinc/99/61/94/411996194.db2.gz YWOLOZUIYNJIKP-FOIKRFTLSA-N 1 0 243.341 3.685 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000662130914 411996345 /nfs/dbraw/zinc/99/63/45/411996345.db2.gz YWOLOZUIYNJIKP-HYWTVENDSA-N 1 0 243.341 3.685 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@H]2CC2CCC2)no1 ZINC000662153874 412008450 /nfs/dbraw/zinc/00/84/50/412008450.db2.gz HFXVURGZRYPJJK-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)no1 ZINC000662153876 412008414 /nfs/dbraw/zinc/00/84/14/412008414.db2.gz HFXVURGZRYPJJK-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO c1cncc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000662154640 412009845 /nfs/dbraw/zinc/00/98/45/412009845.db2.gz BSVGPFPZVFMHTR-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1cncc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000662154642 412008878 /nfs/dbraw/zinc/00/88/78/412008878.db2.gz BSVGPFPZVFMHTR-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO c1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)ccn1 ZINC000662155162 412011427 /nfs/dbraw/zinc/01/14/27/412011427.db2.gz DDBYTOTXWAIDRW-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1cc(C[N@H+]2CCCC[C@@H]2CC2CCC2)ccn1 ZINC000662155163 412011853 /nfs/dbraw/zinc/01/18/53/412011853.db2.gz DDBYTOTXWAIDRW-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO CCCCC[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000662156006 412010391 /nfs/dbraw/zinc/01/03/91/412010391.db2.gz OPFWDZHVNKZRMR-AWEZNQCLSA-N 1 0 236.359 3.609 20 0 BHADRO CCCCC[C@@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000662156009 412011455 /nfs/dbraw/zinc/01/14/55/412011455.db2.gz OPFWDZHVNKZRMR-CQSZACIVSA-N 1 0 236.359 3.609 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@H]2CC2CCC2)on1 ZINC000662156070 412011619 /nfs/dbraw/zinc/01/16/19/412011619.db2.gz KIQBZJKIUOJOEA-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)on1 ZINC000662156072 412011230 /nfs/dbraw/zinc/01/12/30/412011230.db2.gz KIQBZJKIUOJOEA-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C)cs1 ZINC000662156781 412010704 /nfs/dbraw/zinc/01/07/04/412010704.db2.gz DUZAQHWDJURDLN-NWDGAFQWSA-N 1 0 238.400 3.605 20 0 BHADRO Cc1nocc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662156912 412011761 /nfs/dbraw/zinc/01/17/61/412011761.db2.gz NANFGEKJFREQSL-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nocc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662156913 412011628 /nfs/dbraw/zinc/01/16/28/412011628.db2.gz NANFGEKJFREQSL-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cnc(C)s1 ZINC000662156939 412011096 /nfs/dbraw/zinc/01/10/96/412011096.db2.gz FWSSGOZEPSVWPQ-CMPLNLGQSA-N 1 0 238.400 3.605 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1csc(C)n1 ZINC000662157092 411368633 /nfs/dbraw/zinc/36/86/33/411368633.db2.gz IMVPGOHOOMPNHY-GXFFZTMASA-N 1 0 238.400 3.605 20 0 BHADRO CCCCC[C@H]1CCCC[N@@H+]1CCC[C@@H](C)O ZINC000662157295 412010451 /nfs/dbraw/zinc/01/04/51/412010451.db2.gz VQSVGMQUYOXDBM-CABCVRRESA-N 1 0 241.419 3.582 20 0 BHADRO CCCCC[C@H]1CCCC[N@@H+]1CCC[C@H](C)O ZINC000662157296 412011509 /nfs/dbraw/zinc/01/15/09/412011509.db2.gz VQSVGMQUYOXDBM-GJZGRUSLSA-N 1 0 241.419 3.582 20 0 BHADRO CCCCC[C@@H]1CCCC[N@@H+]1CCC[C@@H](C)O ZINC000662157297 412010891 /nfs/dbraw/zinc/01/08/91/412010891.db2.gz VQSVGMQUYOXDBM-HUUCEWRRSA-N 1 0 241.419 3.582 20 0 BHADRO CCCCC[C@@H]1CCCC[N@@H+]1CCC[C@H](C)O ZINC000662157298 412011145 /nfs/dbraw/zinc/01/11/45/412011145.db2.gz VQSVGMQUYOXDBM-LSDHHAIUSA-N 1 0 241.419 3.582 20 0 BHADRO Cc1nc(C[N@@H+]2CCCC[C@H]2CC2CCC2)co1 ZINC000662157545 412010559 /nfs/dbraw/zinc/01/05/59/412010559.db2.gz PWXRJHIRSJWFLD-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1nc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)co1 ZINC000662157549 412010919 /nfs/dbraw/zinc/01/09/19/412010919.db2.gz PWXRJHIRSJWFLD-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CCCCC[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000662158024 412011896 /nfs/dbraw/zinc/01/18/96/412011896.db2.gz ZGWUUYSFHDYSKB-CYBMUJFWSA-N 1 0 236.359 3.609 20 0 BHADRO CCCCC[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000662158026 412011204 /nfs/dbraw/zinc/01/12/04/412011204.db2.gz ZGWUUYSFHDYSKB-ZDUSSCGKSA-N 1 0 236.359 3.609 20 0 BHADRO CCCCC[C@H]1CCCC[N@@H+]1CCCCCO ZINC000662158028 412011136 /nfs/dbraw/zinc/01/11/36/412011136.db2.gz ZGZKDTGQIOJXOH-HNNXBMFYSA-N 1 0 241.419 3.584 20 0 BHADRO CCCCC[C@@H]1CCCC[N@@H+]1CCCCCO ZINC000662158030 412011118 /nfs/dbraw/zinc/01/11/18/412011118.db2.gz ZGZKDTGQIOJXOH-OAHLLOKOSA-N 1 0 241.419 3.584 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C)n1 ZINC000662158128 412011044 /nfs/dbraw/zinc/01/10/44/412011044.db2.gz PVQFAWMIXSGRJK-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO c1ccc(C[N@H+]2CCCC[C@H]2CC2CCC2)nc1 ZINC000662158438 412010898 /nfs/dbraw/zinc/01/08/98/412010898.db2.gz UBHLIUDEPOAIBZ-INIZCTEOSA-N 1 0 244.382 3.626 20 0 BHADRO c1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)nc1 ZINC000662158439 412011081 /nfs/dbraw/zinc/01/10/81/412011081.db2.gz UBHLIUDEPOAIBZ-MRXNPFEDSA-N 1 0 244.382 3.626 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000662158535 412011783 /nfs/dbraw/zinc/01/17/83/412011783.db2.gz SVDYEVFAHMKXNJ-DZGCQCFKSA-N 1 0 249.402 3.617 20 0 BHADRO Cc1cnc(C[N@@H+]2CCCC[C@H]2CC2CCC2)o1 ZINC000662158878 412012928 /nfs/dbraw/zinc/01/29/28/412012928.db2.gz YEDKXNUNBHAWSU-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1cnc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)o1 ZINC000662158880 412013236 /nfs/dbraw/zinc/01/32/36/412013236.db2.gz YEDKXNUNBHAWSU-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCC(F)(F)F ZINC000662158987 412013522 /nfs/dbraw/zinc/01/35/22/412013522.db2.gz ZYCBAVIXWJNQLO-VHSXEESVSA-N 1 0 223.282 3.592 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C)ccn1 ZINC000662159667 412012379 /nfs/dbraw/zinc/01/23/79/412012379.db2.gz BQSCPDZZSYELLT-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662159916 412013687 /nfs/dbraw/zinc/01/36/87/412013687.db2.gz DDXGWLDKSJYNOJ-WCQYABFASA-N 1 0 248.370 3.705 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1scnc1C ZINC000662160263 412013849 /nfs/dbraw/zinc/01/38/49/412013849.db2.gz HSOOQALMTZFKBM-CMPLNLGQSA-N 1 0 238.400 3.605 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cnccc1C ZINC000662160274 412013217 /nfs/dbraw/zinc/01/32/17/412013217.db2.gz HYIAJEIMCCAXJX-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCc1cccc(C)n1 ZINC000662160314 412013020 /nfs/dbraw/zinc/01/30/20/412013020.db2.gz JLPHVUMBIKVEFH-GOEBONIOSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cncc(C)c1 ZINC000662160591 412012675 /nfs/dbraw/zinc/01/26/75/412012675.db2.gz LGKODUJGPNSGKC-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccnc1C ZINC000662160608 412013704 /nfs/dbraw/zinc/01/37/04/412013704.db2.gz LWOIPTZUMHNWIO-SWLSCSKDSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H]1CCCCO1 ZINC000662160845 412013628 /nfs/dbraw/zinc/01/36/28/412013628.db2.gz NDQXKADCOFGNRR-RRFJBIMHSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@@H]1CCCCO1 ZINC000662160846 412012565 /nfs/dbraw/zinc/01/25/65/412012565.db2.gz NDQXKADCOFGNRR-ZNMIVQPWSA-N 1 0 239.403 3.599 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncccc1C ZINC000662160894 411369354 /nfs/dbraw/zinc/36/93/54/411369354.db2.gz OOKIEAUQDCZBEH-UONOGXRCSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C)cn1 ZINC000662161016 412012509 /nfs/dbraw/zinc/01/25/09/412012509.db2.gz PYXYWSSWAVQHOS-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCc1ccncc1 ZINC000662161020 412013158 /nfs/dbraw/zinc/01/31/58/412013158.db2.gz QFDCOQGSCWPCSJ-GOEBONIOSA-N 1 0 246.398 3.667 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCc1ccncc1C ZINC000662161281 412013773 /nfs/dbraw/zinc/01/37/73/412013773.db2.gz QUGOXDYXKVSXOF-GOEBONIOSA-N 1 0 246.398 3.586 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C)nc1 ZINC000662161488 412013100 /nfs/dbraw/zinc/01/31/00/412013100.db2.gz TYDWAWSKZLNZOV-DZGCQCFKSA-N 1 0 232.371 3.543 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000662161709 412012500 /nfs/dbraw/zinc/01/25/00/412012500.db2.gz XKZZKCFAFHNINN-WCQYABFASA-N 1 0 248.370 3.705 20 0 BHADRO FCCCCC[N@H+](CCC1CC1)CC1CC1 ZINC000662177639 412018949 /nfs/dbraw/zinc/01/89/49/412018949.db2.gz JZSOJFTWTYFXSZ-UHFFFAOYSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](CCC1CC1)CC1CC1 ZINC000662177752 412020070 /nfs/dbraw/zinc/02/00/70/412020070.db2.gz NHCGLVFUNPMRCQ-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](CCC1CC1)CC1CC1 ZINC000662177753 412019018 /nfs/dbraw/zinc/01/90/18/412019018.db2.gz NHCGLVFUNPMRCQ-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1cnc([C@@H](C)[N@H+](CCC2CC2)CC2CC2)o1 ZINC000662177798 488143809 /nfs/dbraw/zinc/14/38/09/488143809.db2.gz OZELZSHTYAFLTE-GFCCVEGCSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cnc([C@H](C)[N@H+](CCC2CC2)CC2CC2)o1 ZINC000662177799 488144134 /nfs/dbraw/zinc/14/41/34/488144134.db2.gz OZELZSHTYAFLTE-LBPRGKRZSA-N 1 0 248.370 3.556 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](CCC1CC1)CC1CC1 ZINC000662179516 412020870 /nfs/dbraw/zinc/02/08/70/412020870.db2.gz PRDXRWJXGJABMI-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](CCC1CC1)CC1CC1 ZINC000662179518 488143755 /nfs/dbraw/zinc/14/37/55/488143755.db2.gz PRDXRWJXGJABMI-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](CCC1CC1)CC1CC1 ZINC000662180070 412020737 /nfs/dbraw/zinc/02/07/37/412020737.db2.gz ZFAMAGSSVHXKDL-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](CCC1CC1)CC1CC1 ZINC000662180071 412021169 /nfs/dbraw/zinc/02/11/69/412021169.db2.gz ZFAMAGSSVHXKDL-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[N@@H+](CC1=CCSC1)CC1CCCCCC1 ZINC000662264409 412056945 /nfs/dbraw/zinc/05/69/45/412056945.db2.gz RKDUEUAMCDSWKP-UHFFFAOYSA-N 1 0 239.428 3.562 20 0 BHADRO C[N@H+](CCC1CCCCC1)CC1=CCSC1 ZINC000662267495 412060898 /nfs/dbraw/zinc/06/08/98/412060898.db2.gz HDMNSCLZVVBEIE-UHFFFAOYSA-N 1 0 239.428 3.562 20 0 BHADRO C[N@H+](CCCC1CCCC1)CC1=CCSC1 ZINC000662268722 412060869 /nfs/dbraw/zinc/06/08/69/412060869.db2.gz JAZVORHCMDHNSD-UHFFFAOYSA-N 1 0 239.428 3.562 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CC2=CCSC2)c1 ZINC000662268822 412061040 /nfs/dbraw/zinc/06/10/40/412061040.db2.gz MRKKXYRYXUBBCG-CYBMUJFWSA-N 1 0 247.407 3.661 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CC2=CCSC2)c1 ZINC000662268823 412060477 /nfs/dbraw/zinc/06/04/77/412060477.db2.gz MRKKXYRYXUBBCG-ZDUSSCGKSA-N 1 0 247.407 3.661 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](C)CC1=CCSC1 ZINC000662269104 409571484 /nfs/dbraw/zinc/57/14/84/409571484.db2.gz XXOGCJLABMWELT-HNNXBMFYSA-N 1 0 247.407 3.743 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C)CC1=CCSC1 ZINC000662269105 409571584 /nfs/dbraw/zinc/57/15/84/409571584.db2.gz XXOGCJLABMWELT-OAHLLOKOSA-N 1 0 247.407 3.743 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000662269140 412060295 /nfs/dbraw/zinc/06/02/95/412060295.db2.gz ZKEVDUIKEDJQAX-CYBMUJFWSA-N 1 0 247.407 3.661 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000662269141 412060566 /nfs/dbraw/zinc/06/05/66/412060566.db2.gz ZKEVDUIKEDJQAX-ZDUSSCGKSA-N 1 0 247.407 3.661 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CCCOC(C)(C)C ZINC000662289218 412080143 /nfs/dbraw/zinc/08/01/43/412080143.db2.gz REZGTUUUNSAWDJ-CYBMUJFWSA-N 1 0 247.382 3.768 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662289365 412079792 /nfs/dbraw/zinc/07/97/92/412079792.db2.gz VOCRVOUEBRAYFI-CHWSQXEVSA-N 1 0 238.334 3.719 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662289366 412078962 /nfs/dbraw/zinc/07/89/62/412078962.db2.gz VOCRVOUEBRAYFI-QWHCGFSZSA-N 1 0 238.334 3.719 20 0 BHADRO CC(C)c1ccc([C@@H](C)N(C)CC(C)(C)[NH3+])cc1 ZINC000662295327 412084329 /nfs/dbraw/zinc/08/43/29/412084329.db2.gz QDOOUOZWDXOKSI-CYBMUJFWSA-N 1 0 248.414 3.540 20 0 BHADRO CC(C)c1ccc([C@H](C)N(C)CC(C)(C)[NH3+])cc1 ZINC000662295328 412084223 /nfs/dbraw/zinc/08/42/23/412084223.db2.gz QDOOUOZWDXOKSI-ZDUSSCGKSA-N 1 0 248.414 3.540 20 0 BHADRO C1=CCC(C[N@@H+]2CC3CC2(c2ccccc2)C3)C1 ZINC000662329906 412104690 /nfs/dbraw/zinc/10/46/90/412104690.db2.gz RJNLCJBNMVRWGD-UHFFFAOYSA-N 1 0 239.362 3.574 20 0 BHADRO C1=C(C[N@@H+]2CC3CC2(c2ccccc2)C3)CCC1 ZINC000662330961 412104552 /nfs/dbraw/zinc/10/45/52/412104552.db2.gz DGAROLRGUSCJHG-UHFFFAOYSA-N 1 0 239.362 3.718 20 0 BHADRO CC(C)=CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331342 412104746 /nfs/dbraw/zinc/10/47/46/412104746.db2.gz GQTNLLUSCDYRKN-UHFFFAOYSA-N 1 0 227.351 3.574 20 0 BHADRO FCCCCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331827 412105666 /nfs/dbraw/zinc/10/56/66/412105666.db2.gz KLVSWVBVPFSUEB-UHFFFAOYSA-N 1 0 247.357 3.747 20 0 BHADRO c1ccc(C23CC(C2)C[N@@H+]3[C@@H]2C=CCCC2)cc1 ZINC000662333987 412106833 /nfs/dbraw/zinc/10/68/33/412106833.db2.gz HXJAWBJOGPCBJT-ARWYELJZSA-N 1 0 239.362 3.716 20 0 BHADRO c1ccc(C23CC(C2)C[N@@H+]3[C@H]2C=CCCC2)cc1 ZINC000662333988 412106808 /nfs/dbraw/zinc/10/68/08/412106808.db2.gz HXJAWBJOGPCBJT-WIHSUSGWSA-N 1 0 239.362 3.716 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C[C@@H]1CC1(C)C ZINC000662344644 409656578 /nfs/dbraw/zinc/65/65/78/409656578.db2.gz INJPPEXWFXPNDU-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO C[N@H+](CCCCC(F)(F)F)C[C@H]1CC1(C)C ZINC000662344645 409656076 /nfs/dbraw/zinc/65/60/76/409656076.db2.gz INJPPEXWFXPNDU-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662344781 409657501 /nfs/dbraw/zinc/65/75/01/409657501.db2.gz STXKYCKYCDSADL-GHMZBOCLSA-N 1 0 233.346 3.646 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662344782 409657386 /nfs/dbraw/zinc/65/73/86/409657386.db2.gz STXKYCKYCDSADL-MNOVXSKESA-N 1 0 233.346 3.646 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662344784 409656971 /nfs/dbraw/zinc/65/69/71/409656971.db2.gz STXKYCKYCDSADL-QWRGUYRKSA-N 1 0 233.346 3.646 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662344786 409657119 /nfs/dbraw/zinc/65/71/19/409657119.db2.gz STXKYCKYCDSADL-WDEREUQCSA-N 1 0 233.346 3.646 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)C[C@H]1CC1(C)C ZINC000662346001 412116712 /nfs/dbraw/zinc/11/67/12/412116712.db2.gz PUSLAIKHEUWJJP-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO C[N@H+](CCCCOC(C)(C)C)C[C@@H]1CC1(C)C ZINC000662346002 412116964 /nfs/dbraw/zinc/11/69/64/412116964.db2.gz PUSLAIKHEUWJJP-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000662376321 412129767 /nfs/dbraw/zinc/12/97/67/412129767.db2.gz IYEBMHVAWZLXJF-HOCLYGCPSA-N 1 0 244.382 3.545 20 0 BHADRO C[C@H](c1ccccc1Cl)[N@@H+]1CC2CC1(C)C2 ZINC000662381052 412134148 /nfs/dbraw/zinc/13/41/48/412134148.db2.gz NNNAGCKMYXZEOL-CDWSIMAYSA-N 1 0 235.758 3.885 20 0 BHADRO C[C@@H](c1ccccc1Cl)[N@@H+]1CC2CC1(C)C2 ZINC000662381053 412133983 /nfs/dbraw/zinc/13/39/83/412133983.db2.gz NNNAGCKMYXZEOL-IFQILLTASA-N 1 0 235.758 3.885 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC2CC1(C)C2 ZINC000662381803 412133484 /nfs/dbraw/zinc/13/34/84/412133484.db2.gz FQPPGIFUKCIJCU-BLZCZZARSA-N 1 0 215.340 3.622 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC2CC1(C)C2 ZINC000662381804 412134359 /nfs/dbraw/zinc/13/43/59/412134359.db2.gz FQPPGIFUKCIJCU-HNFVBEJKSA-N 1 0 215.340 3.622 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC2CC1(C)C2 ZINC000662381832 412133570 /nfs/dbraw/zinc/13/35/70/412133570.db2.gz GTOMWPOMYFHTNJ-CDWSIMAYSA-N 1 0 235.758 3.885 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC2CC1(C)C2 ZINC000662381833 412133090 /nfs/dbraw/zinc/13/30/90/412133090.db2.gz GTOMWPOMYFHTNJ-IFQILLTASA-N 1 0 235.758 3.885 20 0 BHADRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382143 412134772 /nfs/dbraw/zinc/13/47/72/412134772.db2.gz NXVVSBSJLNPJRR-IPWFMCSPSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382144 412133400 /nfs/dbraw/zinc/13/34/00/412133400.db2.gz NXVVSBSJLNPJRR-NAUIOFCNSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382274 412133517 /nfs/dbraw/zinc/13/35/17/412133517.db2.gz PCYZDLYDXUQOMT-IPWFMCSPSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@H](c1c(F)cccc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382275 412133236 /nfs/dbraw/zinc/13/32/36/412133236.db2.gz PCYZDLYDXUQOMT-NAUIOFCNSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382279 412134390 /nfs/dbraw/zinc/13/43/90/412134390.db2.gz PIZRKBHLRIRGFR-IPWFMCSPSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC2CC1(C)C2 ZINC000662382280 412133970 /nfs/dbraw/zinc/13/39/70/412133970.db2.gz PIZRKBHLRIRGFR-NAUIOFCNSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000662382334 412133663 /nfs/dbraw/zinc/13/36/63/412133663.db2.gz SELSPJRTGUCLHZ-CDWSIMAYSA-N 1 0 235.758 3.885 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000662382335 412133698 /nfs/dbraw/zinc/13/36/98/412133698.db2.gz SELSPJRTGUCLHZ-IFQILLTASA-N 1 0 235.758 3.885 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000662382456 412134205 /nfs/dbraw/zinc/13/42/05/412134205.db2.gz MGJFYVATSJNOBM-DNOWBOINSA-N 1 0 215.340 3.540 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000662382457 412134541 /nfs/dbraw/zinc/13/45/41/412134541.db2.gz MGJFYVATSJNOBM-OPFPJEHXSA-N 1 0 215.340 3.540 20 0 BHADRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC2CC1(C)C2 ZINC000662382505 412134702 /nfs/dbraw/zinc/13/47/02/412134702.db2.gz WMZSGZZLIIWIIM-IPWFMCSPSA-N 1 0 237.293 3.510 20 0 BHADRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC2CC1(C)C2 ZINC000662382506 412133220 /nfs/dbraw/zinc/13/32/20/412133220.db2.gz WMZSGZZLIIWIIM-NAUIOFCNSA-N 1 0 237.293 3.510 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000662382630 409687788 /nfs/dbraw/zinc/68/77/88/409687788.db2.gz AAZXFVXWXJSZJD-WPBUFGDCSA-N 1 0 233.330 3.761 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000662382631 409686811 /nfs/dbraw/zinc/68/68/11/409686811.db2.gz AAZXFVXWXJSZJD-XGTXGMFGSA-N 1 0 233.330 3.761 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC3CC2(C)C3)c1 ZINC000662383256 412136817 /nfs/dbraw/zinc/13/68/17/412136817.db2.gz JVAFVHYPLYCQNO-DNOWBOINSA-N 1 0 215.340 3.540 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC3CC2(C)C3)c1 ZINC000662383257 412136604 /nfs/dbraw/zinc/13/66/04/412136604.db2.gz JVAFVHYPLYCQNO-OPFPJEHXSA-N 1 0 215.340 3.540 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@@H]1CCCc2ccccc21 ZINC000662383678 412135224 /nfs/dbraw/zinc/13/52/24/412135224.db2.gz PDICMPOBYVEBNU-DSSZZKGTSA-N 1 0 227.351 3.548 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@H]1CCCc2ccccc21 ZINC000662383679 412136125 /nfs/dbraw/zinc/13/61/25/412136125.db2.gz PDICMPOBYVEBNU-NRAUKZCXSA-N 1 0 227.351 3.548 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@@H]1CCc2c1cccc2Cl ZINC000662384892 412135665 /nfs/dbraw/zinc/13/56/65/412135665.db2.gz ALDSEBGERMYEOL-CIQACWJJSA-N 1 0 247.769 3.812 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@H]1CCc2c1cccc2Cl ZINC000662384893 412136469 /nfs/dbraw/zinc/13/64/69/412136469.db2.gz ALDSEBGERMYEOL-CUMGRINNSA-N 1 0 247.769 3.812 20 0 BHADRO CC12CC(C1)C[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000662385015 409685887 /nfs/dbraw/zinc/68/58/87/409685887.db2.gz FTLJQADJYAMJOG-UHFFFAOYSA-N 1 0 237.293 3.609 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@H]1CCCc2ccc(F)cc21 ZINC000662385157 409687183 /nfs/dbraw/zinc/68/71/83/409687183.db2.gz LRJQRKNGGAJUKV-AJQRCPHMSA-N 1 0 245.341 3.687 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@@H]1CCCc2ccc(F)cc21 ZINC000662385158 409687769 /nfs/dbraw/zinc/68/77/69/409687769.db2.gz LRJQRKNGGAJUKV-YWCUFVOSSA-N 1 0 245.341 3.687 20 0 BHADRO CC12CC(C1)C[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000662385224 409689884 /nfs/dbraw/zinc/68/98/84/409689884.db2.gz OBNOFZVRAMVICH-UHFFFAOYSA-N 1 0 237.293 3.609 20 0 BHADRO CC12CC(C1)C[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000662386207 412140738 /nfs/dbraw/zinc/14/07/38/412140738.db2.gz YATOEPHQMKRDLB-GNHJJJEISA-N 1 0 241.378 3.591 20 0 BHADRO CC12CC(C1)C[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000662386208 412140570 /nfs/dbraw/zinc/14/05/70/412140570.db2.gz YATOEPHQMKRDLB-GULBITTBSA-N 1 0 241.378 3.591 20 0 BHADRO CC12CC(C1)C[N@@H+]2CC/C=C\c1ccccc1 ZINC000662386250 412139612 /nfs/dbraw/zinc/13/96/12/412139612.db2.gz ZXFPDWFOSYRKIT-UITAMQMPSA-N 1 0 227.351 3.574 20 0 BHADRO CC12CC(C1)C[N@@H+]2CC/C=C/c1ccccc1 ZINC000662386251 412139638 /nfs/dbraw/zinc/13/96/38/412139638.db2.gz ZXFPDWFOSYRKIT-WEVVVXLNSA-N 1 0 227.351 3.574 20 0 BHADRO CCc1nccn1Cc1cccc(C(C)C)c1 ZINC000663249293 582718203 /nfs/dbraw/zinc/71/82/03/582718203.db2.gz WHVNWVATFRUTKE-UHFFFAOYSA-N 1 0 228.339 3.617 20 0 BHADRO CCn1cc[nH+]c1NCc1cccc(C(C)C)c1 ZINC000663258387 412402417 /nfs/dbraw/zinc/40/24/17/412402417.db2.gz FLJQSTDQESTKSI-UHFFFAOYSA-N 1 0 243.354 3.639 20 0 BHADRO C1=CCC(CNc2ccc3c[nH+]ccc3c2)C1 ZINC000663282702 412410167 /nfs/dbraw/zinc/41/01/67/412410167.db2.gz AHGFAUUPVMSMAD-UHFFFAOYSA-N 1 0 224.307 3.613 20 0 BHADRO c1cc2cc(NC[C@@H]3C[C@H]4C[C@H]4C3)ccc2c[nH+]1 ZINC000663284035 412410050 /nfs/dbraw/zinc/41/00/50/412410050.db2.gz YAUAFMSGOGDBJW-SHHSBJBSSA-N 1 0 238.334 3.693 20 0 BHADRO COCCCCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663313937 411622470 /nfs/dbraw/zinc/62/24/70/411622470.db2.gz AYJTYAGHTYNTQK-UHFFFAOYSA-N 1 0 249.398 3.716 20 0 BHADRO CC(C)c1cccc(C[NH2+]CCC(F)(F)F)c1 ZINC000663317325 411623362 /nfs/dbraw/zinc/62/33/62/411623362.db2.gz CWHLTWHFPADJIK-UHFFFAOYSA-N 1 0 245.288 3.852 20 0 BHADRO CC(C)c1cccc(C[NH2+]C2CC=CC2)c1 ZINC000663317590 411622723 /nfs/dbraw/zinc/62/27/23/411622723.db2.gz FUSPKRKBXLSOPX-UHFFFAOYSA-N 1 0 215.340 3.618 20 0 BHADRO CCOCCCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663318915 411624373 /nfs/dbraw/zinc/62/43/73/411624373.db2.gz ZDUJKNFGUMHSRH-UHFFFAOYSA-N 1 0 249.398 3.716 20 0 BHADRO CC(C)c1cccc(C[NH2+]CCCCF)c1 ZINC000663324788 410114703 /nfs/dbraw/zinc/11/47/03/410114703.db2.gz FQLWWTGBRYAFMM-UHFFFAOYSA-N 1 0 223.335 3.649 20 0 BHADRO CC(C)c1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000663325229 411625461 /nfs/dbraw/zinc/62/54/61/411625461.db2.gz SZBXPRPRPORSAB-UHFFFAOYSA-N 1 0 239.309 3.697 20 0 BHADRO CC(C)c1cccc(C[NH2+]CC[C@@H](C)F)c1 ZINC000663325973 411625309 /nfs/dbraw/zinc/62/53/09/411625309.db2.gz NCDHIXXBRQCAIJ-GFCCVEGCSA-N 1 0 223.335 3.648 20 0 BHADRO CC(C)c1cccc(C[NH2+]CC[C@H](C)F)c1 ZINC000663325976 411625508 /nfs/dbraw/zinc/62/55/08/411625508.db2.gz NCDHIXXBRQCAIJ-LBPRGKRZSA-N 1 0 223.335 3.648 20 0 BHADRO CC(C)c1cccc(C[NH2+]CCC(C)(F)F)c1 ZINC000663326133 411624893 /nfs/dbraw/zinc/62/48/93/411624893.db2.gz QDRWCMNXKAZCBC-UHFFFAOYSA-N 1 0 241.325 3.945 20 0 BHADRO COCC[C@H](C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663329246 411626833 /nfs/dbraw/zinc/62/68/33/411626833.db2.gz TWFAUJUNGAUPDT-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO COCC[C@@H](C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663329248 411626351 /nfs/dbraw/zinc/62/63/51/411626351.db2.gz TWFAUJUNGAUPDT-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CC1(C)C[C@]1([NH2+]Cc1ccco1)c1ccccc1 ZINC000663337784 411629425 /nfs/dbraw/zinc/62/94/25/411629425.db2.gz FRPAMMPKPVXKDX-INIZCTEOSA-N 1 0 241.334 3.695 20 0 BHADRO CC1(C)C[C@@]1([NH2+]Cc1ccco1)c1ccccc1 ZINC000663337785 411629924 /nfs/dbraw/zinc/62/99/24/411629924.db2.gz FRPAMMPKPVXKDX-MRXNPFEDSA-N 1 0 241.334 3.695 20 0 BHADRO CC(C)(C[NH2+]Cc1ccccc1)CC(F)(F)F ZINC000663354727 411635251 /nfs/dbraw/zinc/63/52/51/411635251.db2.gz WKTGKXKBBZKTNR-UHFFFAOYSA-N 1 0 245.288 3.755 20 0 BHADRO Cc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)o1 ZINC000663354973 411635395 /nfs/dbraw/zinc/63/53/95/411635395.db2.gz BXQJHTWOCKZXIC-UHFFFAOYSA-N 1 0 249.276 3.656 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663355036 411636100 /nfs/dbraw/zinc/63/61/00/411636100.db2.gz FSRTVXAJZDJPOV-UHFFFAOYSA-N 1 0 239.325 3.991 20 0 BHADRO CC(C)(C)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663355272 411636084 /nfs/dbraw/zinc/63/60/84/411636084.db2.gz JNXUOLTXHAVJFQ-UHFFFAOYSA-N 1 0 225.298 3.601 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663355413 411635200 /nfs/dbraw/zinc/63/52/00/411635200.db2.gz QDRNVICPBFVIQY-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663355414 411635930 /nfs/dbraw/zinc/63/59/30/411635930.db2.gz QDRNVICPBFVIQY-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CC=CCC1)CC(F)(F)F ZINC000663355628 411635044 /nfs/dbraw/zinc/63/50/44/411635044.db2.gz YWDSAIBZXBTYFE-LLVKDONJSA-N 1 0 249.320 3.911 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CC=CCC1)CC(F)(F)F ZINC000663355629 411635004 /nfs/dbraw/zinc/63/50/04/411635004.db2.gz YWDSAIBZXBTYFE-NSHDSACASA-N 1 0 249.320 3.911 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)CC(F)(F)F ZINC000663355664 411634849 /nfs/dbraw/zinc/63/48/49/411634849.db2.gz ZINIXAYEKSJLAU-UHFFFAOYSA-N 1 0 237.309 3.887 20 0 BHADRO Cc1occc1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663356095 411635338 /nfs/dbraw/zinc/63/53/38/411635338.db2.gz DPQICIOUTYONIX-UHFFFAOYSA-N 1 0 249.276 3.656 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000663356802 411636058 /nfs/dbraw/zinc/63/60/58/411636058.db2.gz QBAPRGFKCJYJTQ-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1C[C@H]1C ZINC000663356804 411633034 /nfs/dbraw/zinc/63/30/34/411633034.db2.gz QBAPRGFKCJYJTQ-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1C[C@H]1C ZINC000663356805 411633509 /nfs/dbraw/zinc/63/35/09/411633509.db2.gz QBAPRGFKCJYJTQ-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000663356807 411632649 /nfs/dbraw/zinc/63/26/49/411632649.db2.gz QBAPRGFKCJYJTQ-UTLUCORTSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C1 ZINC000663357589 411636068 /nfs/dbraw/zinc/63/60/68/411636068.db2.gz APQBVCPHAJDJQL-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C1 ZINC000663357590 411635516 /nfs/dbraw/zinc/63/55/16/411635516.db2.gz APQBVCPHAJDJQL-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C1 ZINC000663357591 411636238 /nfs/dbraw/zinc/63/62/38/411636238.db2.gz APQBVCPHAJDJQL-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C1 ZINC000663357592 411636275 /nfs/dbraw/zinc/63/62/75/411636275.db2.gz APQBVCPHAJDJQL-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663357662 411636317 /nfs/dbraw/zinc/63/63/17/411636317.db2.gz FCAKQBVNWOUSLM-SECBINFHSA-N 1 0 225.298 3.601 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663357663 411636002 /nfs/dbraw/zinc/63/60/02/411636002.db2.gz FCAKQBVNWOUSLM-VIFPVBQESA-N 1 0 225.298 3.601 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663357850 411634904 /nfs/dbraw/zinc/63/49/04/411634904.db2.gz IRNULZAIWDSYRJ-JTQLQIEISA-N 1 0 239.325 3.991 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663357851 411636245 /nfs/dbraw/zinc/63/62/45/411636245.db2.gz IRNULZAIWDSYRJ-SNVBAGLBSA-N 1 0 239.325 3.991 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCC1)CC(F)(F)F ZINC000663358085 487967619 /nfs/dbraw/zinc/96/76/19/487967619.db2.gz PIQOYDLKMMMTFK-UHFFFAOYSA-N 1 0 237.309 3.745 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358193 487967832 /nfs/dbraw/zinc/96/78/32/487967832.db2.gz UPZSUQKPWPKEQC-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358194 487967656 /nfs/dbraw/zinc/96/76/56/487967656.db2.gz UPZSUQKPWPKEQC-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358195 487967667 /nfs/dbraw/zinc/96/76/67/487967667.db2.gz UPZSUQKPWPKEQC-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358196 487967614 /nfs/dbraw/zinc/96/76/14/487967614.db2.gz UPZSUQKPWPKEQC-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)CCC[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358199 411637225 /nfs/dbraw/zinc/63/72/25/411637225.db2.gz UWDMPZQAEMMPSN-UHFFFAOYSA-N 1 0 239.325 3.991 20 0 BHADRO Cc1ccoc1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663358383 411634391 /nfs/dbraw/zinc/63/43/91/411634391.db2.gz YAIGQAQLSUTNEM-UHFFFAOYSA-N 1 0 249.276 3.656 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CCC2(CC2)CC1 ZINC000663438529 411659973 /nfs/dbraw/zinc/65/99/73/411659973.db2.gz WYCINRTZMOOZGM-DAXSKMNVSA-N 1 0 227.351 3.576 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CCC2(CC2)CC1 ZINC000663438531 411657891 /nfs/dbraw/zinc/65/78/91/411657891.db2.gz WYCINRTZMOOZGM-QPJJXVBHSA-N 1 0 227.351 3.576 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000663477010 411668733 /nfs/dbraw/zinc/66/87/33/411668733.db2.gz BNCNLOQWKSOLKS-AXFHLTTASA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000663477011 411667928 /nfs/dbraw/zinc/66/79/28/411667928.db2.gz BNCNLOQWKSOLKS-HBNTYKKESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C(C)(C)C ZINC000663477100 411668039 /nfs/dbraw/zinc/66/80/39/411668039.db2.gz AZCZGDJSJGQDTC-SECBINFHSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C(C)(C)C ZINC000663477101 411668668 /nfs/dbraw/zinc/66/86/68/411668668.db2.gz AZCZGDJSJGQDTC-VIFPVBQESA-N 1 0 239.325 3.989 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477397 411668720 /nfs/dbraw/zinc/66/87/20/411668720.db2.gz DLGQTXFSNREURR-SECBINFHSA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477398 411668713 /nfs/dbraw/zinc/66/87/13/411668713.db2.gz DLGQTXFSNREURR-VIFPVBQESA-N 1 0 225.298 3.599 20 0 BHADRO CC(C)(C[NH2+]C1CC(C)(C)C1)CC(F)(F)F ZINC000663477584 411668049 /nfs/dbraw/zinc/66/80/49/411668049.db2.gz HCSOLEVYQLVFKL-UHFFFAOYSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1C ZINC000663477616 411668769 /nfs/dbraw/zinc/66/87/69/411668769.db2.gz IJIGYXHXFQWWPE-BBBLOLIVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1C ZINC000663477617 411667956 /nfs/dbraw/zinc/66/79/56/411667956.db2.gz IJIGYXHXFQWWPE-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1C ZINC000663477618 411667927 /nfs/dbraw/zinc/66/79/27/411667927.db2.gz IJIGYXHXFQWWPE-OPRDCNLKSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1C ZINC000663477619 411668220 /nfs/dbraw/zinc/66/82/20/411668220.db2.gz IJIGYXHXFQWWPE-UTLUCORTSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)(C[NH2+]C(C1CC1)C1CC1)CC(F)(F)F ZINC000663477689 411668383 /nfs/dbraw/zinc/66/83/83/411668383.db2.gz GLJYASXXPFYDGP-UHFFFAOYSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477960 411668371 /nfs/dbraw/zinc/66/83/71/411668371.db2.gz MMBOULCKKYUZRM-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477961 411667951 /nfs/dbraw/zinc/66/79/51/411667951.db2.gz MMBOULCKKYUZRM-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477962 411668511 /nfs/dbraw/zinc/66/85/11/411668511.db2.gz MMBOULCKKYUZRM-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663477963 411668748 /nfs/dbraw/zinc/66/87/48/411668748.db2.gz MMBOULCKKYUZRM-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC1(C)C)CC(F)(F)F ZINC000663478172 411668728 /nfs/dbraw/zinc/66/87/28/411668728.db2.gz NTBAOIMPINGOIJ-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC1(C)C)CC(F)(F)F ZINC000663478173 411661258 /nfs/dbraw/zinc/66/12/58/411661258.db2.gz NTBAOIMPINGOIJ-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663478374 411668490 /nfs/dbraw/zinc/66/84/90/411668490.db2.gz LMODZSHXVRXTFT-JTQLQIEISA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663478375 411667937 /nfs/dbraw/zinc/66/79/37/411667937.db2.gz LMODZSHXVRXTFT-SNVBAGLBSA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC12CCC2)CC(F)(F)F ZINC000663478629 490443136 /nfs/dbraw/zinc/44/31/36/490443136.db2.gz SWCCCCKQEKPUQX-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC12CCC2)CC(F)(F)F ZINC000663478634 490443324 /nfs/dbraw/zinc/44/33/24/490443324.db2.gz SWCCCCKQEKPUQX-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC12CC2)CC(F)(F)F ZINC000663478847 411666718 /nfs/dbraw/zinc/66/67/18/411666718.db2.gz WGUJHNWAMJNNGG-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC12CC2)CC(F)(F)F ZINC000663478848 411667032 /nfs/dbraw/zinc/66/70/32/411667032.db2.gz WGUJHNWAMJNNGG-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccco1 ZINC000663479154 411670030 /nfs/dbraw/zinc/67/00/30/411670030.db2.gz NYULZLLWBYMZHZ-SECBINFHSA-N 1 0 249.276 3.909 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccco1 ZINC000663479156 411669545 /nfs/dbraw/zinc/66/95/45/411669545.db2.gz NYULZLLWBYMZHZ-VIFPVBQESA-N 1 0 249.276 3.909 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479411 411669977 /nfs/dbraw/zinc/66/99/77/411669977.db2.gz PUBDFSZHCVXBHF-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479412 411669986 /nfs/dbraw/zinc/66/99/86/411669986.db2.gz PUBDFSZHCVXBHF-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CCC[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479702 411669583 /nfs/dbraw/zinc/66/95/83/411669583.db2.gz SLMYXRBBQOBRDR-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CCC[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479703 411670055 /nfs/dbraw/zinc/67/00/55/411670055.db2.gz SLMYXRBBQOBRDR-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CCC(CC)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479746 411669911 /nfs/dbraw/zinc/66/99/11/411669911.db2.gz TXNZVDAUGQFQGU-UHFFFAOYSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C(C)C ZINC000663479764 411669777 /nfs/dbraw/zinc/66/97/77/411669777.db2.gz UDYKRZHFJFBEPV-JTQLQIEISA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C(C)C ZINC000663479765 411669885 /nfs/dbraw/zinc/66/98/85/411669885.db2.gz UDYKRZHFJFBEPV-SNVBAGLBSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CCC1 ZINC000663480003 411670037 /nfs/dbraw/zinc/67/00/37/411670037.db2.gz VFLOLCLEFPQELS-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CCC1 ZINC000663480004 411669601 /nfs/dbraw/zinc/66/96/01/411669601.db2.gz VFLOLCLEFPQELS-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccoc1 ZINC000663480314 411669722 /nfs/dbraw/zinc/66/97/22/411669722.db2.gz ZEUKBMKGBJTLAJ-SECBINFHSA-N 1 0 249.276 3.909 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccoc1 ZINC000663480315 411669600 /nfs/dbraw/zinc/66/96/00/411669600.db2.gz ZEUKBMKGBJTLAJ-VIFPVBQESA-N 1 0 249.276 3.909 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663480351 411669009 /nfs/dbraw/zinc/66/90/09/411669009.db2.gz ZWXQNRHQMGYFTC-NXEZZACHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663480352 411669060 /nfs/dbraw/zinc/66/90/60/411669060.db2.gz ZWXQNRHQMGYFTC-UWVGGRQHSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663480353 411669703 /nfs/dbraw/zinc/66/97/03/411669703.db2.gz ZWXQNRHQMGYFTC-VHSXEESVSA-N 1 0 239.325 3.989 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663480354 411669589 /nfs/dbraw/zinc/66/95/89/411669589.db2.gz ZWXQNRHQMGYFTC-ZJUUUORDSA-N 1 0 239.325 3.989 20 0 BHADRO C[C@@H](CCC1CC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663811128 411752755 /nfs/dbraw/zinc/75/27/55/411752755.db2.gz HTCUAFGOSALWLK-JTQLQIEISA-N 1 0 229.327 3.554 20 0 BHADRO C[C@H](CCC1CC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663811129 411752865 /nfs/dbraw/zinc/75/28/65/411752865.db2.gz HTCUAFGOSALWLK-SNVBAGLBSA-N 1 0 229.327 3.554 20 0 BHADRO c1cc2c(cc[nH+]c2NC2CCC3(CC3)CC2)[nH]1 ZINC000663842723 411760067 /nfs/dbraw/zinc/76/00/67/411760067.db2.gz QKDYVXLVYOIOPE-UHFFFAOYSA-N 1 0 241.338 3.698 20 0 BHADRO CC[C@@H](COc1cc(C)[nH+]c(C)c1)CC(F)F ZINC000663984056 411801365 /nfs/dbraw/zinc/80/13/65/411801365.db2.gz BVSBJDKODDDFNK-LLVKDONJSA-N 1 0 243.297 3.759 20 0 BHADRO CC[C@H](COc1cc(C)[nH+]c(C)c1)CC(F)F ZINC000663984057 411801195 /nfs/dbraw/zinc/80/11/95/411801195.db2.gz BVSBJDKODDDFNK-NSHDSACASA-N 1 0 243.297 3.759 20 0 BHADRO c1cc2c(cc[nH+]c2N[C@H](C2CC2)C2CCC2)[nH]1 ZINC000663994404 411805826 /nfs/dbraw/zinc/80/58/26/411805826.db2.gz RLBXCRYEDBHTQO-AWEZNQCLSA-N 1 0 241.338 3.554 20 0 BHADRO c1cc2c(cc[nH+]c2N[C@@H](C2CC2)C2CCC2)[nH]1 ZINC000663994405 411805698 /nfs/dbraw/zinc/80/56/98/411805698.db2.gz RLBXCRYEDBHTQO-CQSZACIVSA-N 1 0 241.338 3.554 20 0 BHADRO FC1CCC(CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000664056339 411832866 /nfs/dbraw/zinc/83/28/66/411832866.db2.gz VRSCNAFERVMMDP-UHFFFAOYSA-N 1 0 247.317 3.503 20 0 BHADRO c1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CCCC[C@@H]21 ZINC000664082271 411845727 /nfs/dbraw/zinc/84/57/27/411845727.db2.gz BOSUQTBWJLADLT-WFASDCNBSA-N 1 0 238.334 3.614 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CC4CC3(C)C4)c2c1 ZINC000664693101 412010887 /nfs/dbraw/zinc/01/08/87/412010887.db2.gz IKCKACNZMRXZJI-UHFFFAOYSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cc(N2CC3CC2(C)C3)c2ccccc2[nH+]1 ZINC000664693121 412010662 /nfs/dbraw/zinc/01/06/62/412010662.db2.gz UVIQEYINQUKVQL-UHFFFAOYSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cccc(NCC(C)(C)CC(F)(F)F)[nH+]1 ZINC000664695805 412012037 /nfs/dbraw/zinc/01/20/37/412012037.db2.gz KBKONYOUGYGLHU-UHFFFAOYSA-N 1 0 246.276 3.781 20 0 BHADRO Cc1cc[nH+]c(NCC(C)(C)CC(F)(F)F)c1 ZINC000664697379 412011728 /nfs/dbraw/zinc/01/17/28/412011728.db2.gz UPNJBNQBPXOGCD-UHFFFAOYSA-N 1 0 246.276 3.781 20 0 BHADRO CC1(C)C[N@H+](CCC2CCC2)[C@H]1c1cccnc1 ZINC000664818579 412025113 /nfs/dbraw/zinc/02/51/13/412025113.db2.gz IFULAXXVBIYWPO-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@H+](CCC2CCC2)[C@@H]1c1cccnc1 ZINC000664818587 412024834 /nfs/dbraw/zinc/02/48/34/412024834.db2.gz IFULAXXVBIYWPO-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@H+](CC2=CCCC2)[C@H]1c1cccnc1 ZINC000664818816 412025288 /nfs/dbraw/zinc/02/52/88/412025288.db2.gz JKYTVFPHRIQNQM-HNNXBMFYSA-N 1 0 242.366 3.575 20 0 BHADRO CC1(C)C[N@H+](CC2=CCCC2)[C@@H]1c1cccnc1 ZINC000664818821 412025437 /nfs/dbraw/zinc/02/54/37/412025437.db2.gz JKYTVFPHRIQNQM-OAHLLOKOSA-N 1 0 242.366 3.575 20 0 BHADRO CC(C)=CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820581 412026742 /nfs/dbraw/zinc/02/67/42/412026742.db2.gz POZTXYPGWCEVLV-HNNXBMFYSA-N 1 0 244.382 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820585 412027805 /nfs/dbraw/zinc/02/78/05/412027805.db2.gz POZTXYPGWCEVLV-OAHLLOKOSA-N 1 0 244.382 3.821 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@H]1c1cccnc1 ZINC000664826706 412026902 /nfs/dbraw/zinc/02/69/02/412026902.db2.gz XDFMDTHVJUVUAA-CABCVRRESA-N 1 0 242.366 3.573 20 0 BHADRO CC1(C)C[N@@H+]([C@H]2C=CCCC2)[C@H]1c1cccnc1 ZINC000664826707 412027476 /nfs/dbraw/zinc/02/74/76/412027476.db2.gz XDFMDTHVJUVUAA-GJZGRUSLSA-N 1 0 242.366 3.573 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000664826708 412026875 /nfs/dbraw/zinc/02/68/75/412026875.db2.gz XDFMDTHVJUVUAA-HUUCEWRRSA-N 1 0 242.366 3.573 20 0 BHADRO CC1(C)C[N@@H+]([C@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000664826709 412027731 /nfs/dbraw/zinc/02/77/31/412027731.db2.gz XDFMDTHVJUVUAA-LSDHHAIUSA-N 1 0 242.366 3.573 20 0 BHADRO CC(C)=CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828083 412026356 /nfs/dbraw/zinc/02/63/56/412026356.db2.gz BQMUXABLUVZWGY-HNNXBMFYSA-N 1 0 244.382 3.821 20 0 BHADRO CC(C)=CCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828084 412027104 /nfs/dbraw/zinc/02/71/04/412027104.db2.gz BQMUXABLUVZWGY-OAHLLOKOSA-N 1 0 244.382 3.821 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828211 412027843 /nfs/dbraw/zinc/02/78/43/412027843.db2.gz CYXLGRWPBLEMNN-GXTWGEPZSA-N 1 0 232.371 3.653 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828212 412026665 /nfs/dbraw/zinc/02/66/65/412026665.db2.gz CYXLGRWPBLEMNN-JSGCOSHPSA-N 1 0 232.371 3.653 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828213 412026429 /nfs/dbraw/zinc/02/64/29/412026429.db2.gz CYXLGRWPBLEMNN-OCCSQVGLSA-N 1 0 232.371 3.653 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828214 412026888 /nfs/dbraw/zinc/02/68/88/412026888.db2.gz CYXLGRWPBLEMNN-TZMCWYRMSA-N 1 0 232.371 3.653 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828235 412026977 /nfs/dbraw/zinc/02/69/77/412026977.db2.gz DFNBDKNQLWBOID-DZGCQCFKSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828237 412027274 /nfs/dbraw/zinc/02/72/74/412027274.db2.gz DFNBDKNQLWBOID-HIFRSBDPSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828239 412027342 /nfs/dbraw/zinc/02/73/42/412027342.db2.gz DFNBDKNQLWBOID-UKRRQHHQSA-N 1 0 246.398 3.899 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828241 412027466 /nfs/dbraw/zinc/02/74/66/412027466.db2.gz DFNBDKNQLWBOID-ZFWWWQNUSA-N 1 0 246.398 3.899 20 0 BHADRO CC1(C)C[N@H+](CC2=CCCC2)[C@H]1c1ccncc1 ZINC000664828848 412029147 /nfs/dbraw/zinc/02/91/47/412029147.db2.gz IRNGHQIEZXNEKB-HNNXBMFYSA-N 1 0 242.366 3.575 20 0 BHADRO CC1(C)C[N@H+](CC2=CCCC2)[C@@H]1c1ccncc1 ZINC000664828849 412029133 /nfs/dbraw/zinc/02/91/33/412029133.db2.gz IRNGHQIEZXNEKB-OAHLLOKOSA-N 1 0 242.366 3.575 20 0 BHADRO CCCCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829715 412029117 /nfs/dbraw/zinc/02/91/17/412029117.db2.gz QCNCRAZAXFPQGN-AWEZNQCLSA-N 1 0 232.371 3.655 20 0 BHADRO CCCCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829717 412028897 /nfs/dbraw/zinc/02/88/97/412028897.db2.gz QCNCRAZAXFPQGN-CQSZACIVSA-N 1 0 232.371 3.655 20 0 BHADRO CC1(C)C[N@H+](CCC2CCC2)[C@H]1c1ccncc1 ZINC000664831196 412030092 /nfs/dbraw/zinc/03/00/92/412030092.db2.gz ZVZLCBJUBMXAIN-HNNXBMFYSA-N 1 0 244.382 3.655 20 0 BHADRO CC1(C)C[N@H+](CCC2CCC2)[C@@H]1c1ccncc1 ZINC000664831198 412028424 /nfs/dbraw/zinc/02/84/24/412028424.db2.gz ZVZLCBJUBMXAIN-OAHLLOKOSA-N 1 0 244.382 3.655 20 0 BHADRO CC/C=C\CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834599 412029212 /nfs/dbraw/zinc/02/92/12/412029212.db2.gz YBUQQWPAPJRONO-IYKSTZQJSA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C/CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834601 412029541 /nfs/dbraw/zinc/02/95/41/412029541.db2.gz YBUQQWPAPJRONO-LLYBFZRZSA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C/CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834603 412030098 /nfs/dbraw/zinc/03/00/98/412030098.db2.gz YBUQQWPAPJRONO-NFAHFFEMSA-N 1 0 244.382 3.821 20 0 BHADRO CC/C=C\CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834604 412028645 /nfs/dbraw/zinc/02/86/45/412028645.db2.gz YBUQQWPAPJRONO-YVACAVLKSA-N 1 0 244.382 3.821 20 0 BHADRO CC[C@@H]([NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000664920481 412044988 /nfs/dbraw/zinc/04/49/88/412044988.db2.gz WQNLQMHVHSOICJ-OAHLLOKOSA-N 1 0 249.398 3.933 20 0 BHADRO CC[C@H]([NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000664933590 412045635 /nfs/dbraw/zinc/04/56/35/412045635.db2.gz WQNLQMHVHSOICJ-HNNXBMFYSA-N 1 0 249.398 3.933 20 0 BHADRO Cc1cc2ccc(C3=CC[NH2+]CC3)cc2s1 ZINC000665173453 412120276 /nfs/dbraw/zinc/12/02/76/412120276.db2.gz DNZHITGYYMIXAM-UHFFFAOYSA-N 1 0 229.348 3.586 20 0 BHADRO CC(C)Sc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000665173890 412119719 /nfs/dbraw/zinc/11/97/19/412119719.db2.gz IJQWTDVUCJMSMV-UHFFFAOYSA-N 1 0 233.380 3.564 20 0 BHADRO Cc1csc2ccc(C3=CC[NH2+]CC3)cc12 ZINC000665175662 412120410 /nfs/dbraw/zinc/12/04/10/412120410.db2.gz ZQSYFINYUKDVNC-UHFFFAOYSA-N 1 0 229.348 3.586 20 0 BHADRO Cc1cscc1-c1cc(C[NH+](C)C)ccc1F ZINC000665195444 412128647 /nfs/dbraw/zinc/12/86/47/412128647.db2.gz CELLXEWIAWYJIM-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO Cc1sccc1-c1cc(C[NH+](C)C)ccc1F ZINC000665195841 412131077 /nfs/dbraw/zinc/13/10/77/412131077.db2.gz RRXPADQRGPVCMK-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO Cc1cocc1-c1cccc(C[NH+]2CCCC2)c1 ZINC000665198706 412131039 /nfs/dbraw/zinc/13/10/39/412131039.db2.gz ICPSJGCKYZUIRF-UHFFFAOYSA-N 1 0 241.334 3.851 20 0 BHADRO Cc1cnc(-c2ccc([C@@H](C)[NH3+])c(F)c2)c(C)c1 ZINC000665198820 412129651 /nfs/dbraw/zinc/12/96/51/412129651.db2.gz MEWYBZJGFDLGLA-LLVKDONJSA-N 1 0 244.313 3.524 20 0 BHADRO Cc1cnc(-c2ccc([C@H](C)[NH3+])c(F)c2)c(C)c1 ZINC000665198821 412130106 /nfs/dbraw/zinc/13/01/06/412130106.db2.gz MEWYBZJGFDLGLA-NSHDSACASA-N 1 0 244.313 3.524 20 0 BHADRO Cc1cscc1-c1ccc(F)c(C[NH+](C)C)c1 ZINC000665199304 412132012 /nfs/dbraw/zinc/13/20/12/412132012.db2.gz BYKYUUDYCLRCAR-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO Cc1sccc1-c1ccc(F)c(C[NH+](C)C)c1 ZINC000665199770 412132562 /nfs/dbraw/zinc/13/25/62/412132562.db2.gz WUYRQKAYSVYMPM-UHFFFAOYSA-N 1 0 249.354 3.924 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(N)c1)C1CCCCCC1 ZINC000665231929 412170695 /nfs/dbraw/zinc/17/06/95/412170695.db2.gz BAASLDONRKFJMX-CYBMUJFWSA-N 1 0 246.398 3.717 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(N)c1)C1CCCCCC1 ZINC000665231930 412168534 /nfs/dbraw/zinc/16/85/34/412168534.db2.gz BAASLDONRKFJMX-ZDUSSCGKSA-N 1 0 246.398 3.717 20 0 BHADRO CC(C)CC[C@H]([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000665232036 412170304 /nfs/dbraw/zinc/17/03/04/412170304.db2.gz DUODXACXPBBSHJ-INIZCTEOSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)CC[C@@H]([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000665232037 412170691 /nfs/dbraw/zinc/17/06/91/412170691.db2.gz DUODXACXPBBSHJ-MRXNPFEDSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccsc1 ZINC000665232101 412170274 /nfs/dbraw/zinc/17/02/74/412170274.db2.gz FZOYELJPYYOIAV-AWEZNQCLSA-N 1 0 246.379 3.571 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccsc1 ZINC000665232102 412165736 /nfs/dbraw/zinc/16/57/36/412165736.db2.gz FZOYELJPYYOIAV-CQSZACIVSA-N 1 0 246.379 3.571 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(N)c1 ZINC000665232172 412170270 /nfs/dbraw/zinc/17/02/70/412170270.db2.gz HLEHLJBHFFFEBI-GFCCVEGCSA-N 1 0 234.387 3.573 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(N)c1 ZINC000665232173 412169910 /nfs/dbraw/zinc/16/99/10/412169910.db2.gz HLEHLJBHFFFEBI-LBPRGKRZSA-N 1 0 234.387 3.573 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000665232480 412170571 /nfs/dbraw/zinc/17/05/71/412170571.db2.gz NUJQLYLSQSFDGO-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000665232481 412170052 /nfs/dbraw/zinc/17/00/52/412170052.db2.gz NUJQLYLSQSFDGO-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000665232482 412170213 /nfs/dbraw/zinc/17/02/13/412170213.db2.gz NUJQLYLSQSFDGO-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000665232483 412169947 /nfs/dbraw/zinc/16/99/47/412169947.db2.gz NUJQLYLSQSFDGO-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccc(N)c1)C1CCCC1 ZINC000665232855 412172391 /nfs/dbraw/zinc/17/23/91/412172391.db2.gz WLWCBLYRDSXPLA-INIZCTEOSA-N 1 0 246.398 3.717 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccc(N)c1)C1CCCC1 ZINC000665232856 412172479 /nfs/dbraw/zinc/17/24/79/412172479.db2.gz WLWCBLYRDSXPLA-MRXNPFEDSA-N 1 0 246.398 3.717 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232859 412171493 /nfs/dbraw/zinc/17/14/93/412171493.db2.gz WNZXCKRBEJEGNM-CHWSQXEVSA-N 1 0 234.387 3.573 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232860 412172004 /nfs/dbraw/zinc/17/20/04/412172004.db2.gz WNZXCKRBEJEGNM-OLZOCXBDSA-N 1 0 234.387 3.573 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232861 412172184 /nfs/dbraw/zinc/17/21/84/412172184.db2.gz WNZXCKRBEJEGNM-QWHCGFSZSA-N 1 0 234.387 3.573 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232862 412172783 /nfs/dbraw/zinc/17/27/83/412172783.db2.gz WNZXCKRBEJEGNM-STQMWFEESA-N 1 0 234.387 3.573 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232866 412172689 /nfs/dbraw/zinc/17/26/89/412172689.db2.gz WPSFGVYFUZCUSK-BJJXKVORSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232867 410725014 /nfs/dbraw/zinc/72/50/14/410725014.db2.gz WPSFGVYFUZCUSK-JGGQBBKZSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232868 410723737 /nfs/dbraw/zinc/72/37/37/410723737.db2.gz WPSFGVYFUZCUSK-XNRPHZJLSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665232869 410723378 /nfs/dbraw/zinc/72/33/78/410723378.db2.gz WPSFGVYFUZCUSK-XPKDYRNWSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665233507 412172859 /nfs/dbraw/zinc/17/28/59/412172859.db2.gz JPRJUXQALVWJNX-DOMZBBRYSA-N 1 0 234.387 3.573 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665233508 412172902 /nfs/dbraw/zinc/17/29/02/412172902.db2.gz JPRJUXQALVWJNX-IUODEOHRSA-N 1 0 234.387 3.573 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665233509 412172134 /nfs/dbraw/zinc/17/21/34/412172134.db2.gz JPRJUXQALVWJNX-SWLSCSKDSA-N 1 0 234.387 3.573 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665233510 412171548 /nfs/dbraw/zinc/17/15/48/412171548.db2.gz JPRJUXQALVWJNX-WFASDCNBSA-N 1 0 234.387 3.573 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665233688 412171509 /nfs/dbraw/zinc/17/15/09/412171509.db2.gz NCPYWAIHRXQDRJ-BJJXKVORSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665233689 412172514 /nfs/dbraw/zinc/17/25/14/412172514.db2.gz NCPYWAIHRXQDRJ-JGGQBBKZSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000665233690 412171828 /nfs/dbraw/zinc/17/18/28/412171828.db2.gz NCPYWAIHRXQDRJ-XNRPHZJLSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000665233691 412171690 /nfs/dbraw/zinc/17/16/90/412171690.db2.gz NCPYWAIHRXQDRJ-XPKDYRNWSA-N 1 0 246.398 3.573 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@H](C)c1ccncc1 ZINC000665239507 412180686 /nfs/dbraw/zinc/18/06/86/412180686.db2.gz KKEGHIVKGRNUAT-CYBMUJFWSA-N 1 0 244.338 3.566 20 0 BHADRO CC[N@H+](Cc1occc1C)[C@@H](C)c1ccncc1 ZINC000665239508 412180331 /nfs/dbraw/zinc/18/03/31/412180331.db2.gz KKEGHIVKGRNUAT-ZDUSSCGKSA-N 1 0 244.338 3.566 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665271197 412212628 /nfs/dbraw/zinc/21/26/28/412212628.db2.gz IYTVNXTXMHVUIE-ABAIWWIYSA-N 1 0 246.398 3.670 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665271198 412212529 /nfs/dbraw/zinc/21/25/29/412212529.db2.gz IYTVNXTXMHVUIE-IAQYHMDHSA-N 1 0 246.398 3.670 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665271199 412212058 /nfs/dbraw/zinc/21/20/58/412212058.db2.gz IYTVNXTXMHVUIE-NHYWBVRUSA-N 1 0 246.398 3.670 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665271200 412213647 /nfs/dbraw/zinc/21/36/47/412213647.db2.gz IYTVNXTXMHVUIE-XHDPSFHLSA-N 1 0 246.398 3.670 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288330 412233744 /nfs/dbraw/zinc/23/37/44/412233744.db2.gz KGUOVRIZDUUNOJ-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288331 412233089 /nfs/dbraw/zinc/23/30/89/412233089.db2.gz KGUOVRIZDUUNOJ-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665290204 410775631 /nfs/dbraw/zinc/77/56/31/410775631.db2.gz OFUGBTRETIKNQM-AAEUAGOBSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665290205 410776257 /nfs/dbraw/zinc/77/62/57/410776257.db2.gz OFUGBTRETIKNQM-DGCLKSJQSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665290206 410776058 /nfs/dbraw/zinc/77/60/58/410776058.db2.gz OFUGBTRETIKNQM-WCQYABFASA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665290207 410776992 /nfs/dbraw/zinc/77/69/92/410776992.db2.gz OFUGBTRETIKNQM-YPMHNXCESA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)[C@H]1C[C@H]1C ZINC000666086503 488112903 /nfs/dbraw/zinc/11/29/03/488112903.db2.gz WTRYPZZTSXNDBG-FDRIWYBQSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)[C@H]1C[C@H]1C ZINC000666086508 488113111 /nfs/dbraw/zinc/11/31/11/488113111.db2.gz WTRYPZZTSXNDBG-FIXIBIHLSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)[C@H]1C[C@H]1C ZINC000666086509 488112897 /nfs/dbraw/zinc/11/28/97/488112897.db2.gz WTRYPZZTSXNDBG-HKCMKHECSA-N 1 0 247.407 3.609 20 0 BHADRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)[C@H]1C[C@H]1C ZINC000666086511 488112867 /nfs/dbraw/zinc/11/28/67/488112867.db2.gz WTRYPZZTSXNDBG-PKIAMQTDSA-N 1 0 247.407 3.609 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1ccccn1 ZINC000666088546 488148590 /nfs/dbraw/zinc/14/85/90/488148590.db2.gz HENYIQVSZRXNDI-BHPKHCPMSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1ccccn1 ZINC000666088551 488148644 /nfs/dbraw/zinc/14/86/44/488148644.db2.gz HENYIQVSZRXNDI-CXTNEJHOSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1ccccn1 ZINC000666088552 488148580 /nfs/dbraw/zinc/14/85/80/488148580.db2.gz HENYIQVSZRXNDI-JLNYLFASSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)c1ccccn1 ZINC000666088553 488148613 /nfs/dbraw/zinc/14/86/13/488148613.db2.gz HENYIQVSZRXNDI-XFMPKHEZSA-N 1 0 232.371 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@H]1C[C@@H]1C)c1ccccn1 ZINC000666088882 488151123 /nfs/dbraw/zinc/15/11/23/488151123.db2.gz YDONIYQESSCBLI-AYDFFVQHSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@H]1C[C@H]1C)c1ccccn1 ZINC000666088890 488151325 /nfs/dbraw/zinc/15/13/25/488151325.db2.gz YDONIYQESSCBLI-CTASWTNQSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@@H]1C[C@H]1C)c1ccccn1 ZINC000666088892 488150944 /nfs/dbraw/zinc/15/09/44/488150944.db2.gz YDONIYQESSCBLI-KQTLUZQSSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)[C@@H]1C[C@@H]1C)c1ccccn1 ZINC000666088893 488151317 /nfs/dbraw/zinc/15/13/17/488151317.db2.gz YDONIYQESSCBLI-NHIYQJMISA-N 1 0 246.398 3.947 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)[C@H]1CC1(C)C ZINC000666097473 488183329 /nfs/dbraw/zinc/18/33/29/488183329.db2.gz PMRPKVBESJGCDR-CFVMTHIKSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)[C@@H]1CC1(C)C ZINC000666097479 488183692 /nfs/dbraw/zinc/18/36/92/488183692.db2.gz PMRPKVBESJGCDR-QEJZJMRPSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)[C@@H]1CC1(C)C ZINC000666097480 488183311 /nfs/dbraw/zinc/18/33/11/488183311.db2.gz PMRPKVBESJGCDR-SNPRPXQTSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)[C@H]1CC1(C)C ZINC000666097482 488183828 /nfs/dbraw/zinc/18/38/28/488183828.db2.gz PMRPKVBESJGCDR-YUELXQCFSA-N 1 0 246.398 3.599 20 0 BHADRO Clc1cccc2c1C[C@H]([NH2+]C1CC=CC1)CC2 ZINC000666097662 488184415 /nfs/dbraw/zinc/18/44/15/488184415.db2.gz KEOWKKOTYFNQQE-CYBMUJFWSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1cccc2c1C[C@@H]([NH2+]C1CC=CC1)CC2 ZINC000666097663 488184485 /nfs/dbraw/zinc/18/44/85/488184485.db2.gz KEOWKKOTYFNQQE-ZDUSSCGKSA-N 1 0 247.769 3.506 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1C[C@@H]1C ZINC000666132709 487530997 /nfs/dbraw/zinc/53/09/97/487530997.db2.gz DPIJZRLHGNUKSR-CQDKDKBSSA-N 1 0 242.366 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1C[C@H]1C ZINC000666132710 487531063 /nfs/dbraw/zinc/53/10/63/487531063.db2.gz DPIJZRLHGNUKSR-DFBGVHRSSA-N 1 0 242.366 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1C[C@@H]1C ZINC000666132711 487531042 /nfs/dbraw/zinc/53/10/42/487531042.db2.gz DPIJZRLHGNUKSR-GLQYFDAESA-N 1 0 242.366 3.692 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1C[C@H]1C ZINC000666132712 487531038 /nfs/dbraw/zinc/53/10/38/487531038.db2.gz DPIJZRLHGNUKSR-UGFHNGPFSA-N 1 0 242.366 3.692 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c(C)n1 ZINC000666164123 488173057 /nfs/dbraw/zinc/17/30/57/488173057.db2.gz DKNJUMVVFMOOLU-IIAWOOMASA-N 1 0 246.398 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c(C)n1 ZINC000666164125 488172897 /nfs/dbraw/zinc/17/28/97/488172897.db2.gz DKNJUMVVFMOOLU-SQWLQELKSA-N 1 0 246.398 3.784 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)s1 ZINC000666164211 487743429 /nfs/dbraw/zinc/74/34/29/487743429.db2.gz XUTUEBAPMOUBSK-MVWJERBFSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)s1 ZINC000666164212 487743090 /nfs/dbraw/zinc/74/30/90/487743090.db2.gz XUTUEBAPMOUBSK-YUSALJHKSA-N 1 0 238.400 3.537 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1(C2CCC2)CCC1 ZINC000666174046 490159140 /nfs/dbraw/zinc/15/91/40/490159140.db2.gz UMJPRWUCNZUDPI-GFCCVEGCSA-N 1 0 249.423 3.992 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1(C2CCC2)CCC1 ZINC000666174060 490159362 /nfs/dbraw/zinc/15/93/62/490159362.db2.gz UMJPRWUCNZUDPI-LBPRGKRZSA-N 1 0 249.423 3.992 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1 ZINC000666176883 487775356 /nfs/dbraw/zinc/77/53/56/487775356.db2.gz BEOQSSFXTWPENU-LUYZLQTOSA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)n1 ZINC000666176887 487775335 /nfs/dbraw/zinc/77/53/35/487775335.db2.gz BEOQSSFXTWPENU-VDERGJSUSA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)n1 ZINC000666176888 487775328 /nfs/dbraw/zinc/77/53/28/487775328.db2.gz BEOQSSFXTWPENU-XRGAULLZSA-N 1 0 244.382 3.538 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)C1CCCC1 ZINC000666181216 487747961 /nfs/dbraw/zinc/74/79/61/487747961.db2.gz YGRMJVAPZTVGKV-ABAIWWIYSA-N 1 0 249.402 3.728 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)C1CCCC1 ZINC000666181223 487748143 /nfs/dbraw/zinc/74/81/43/487748143.db2.gz YGRMJVAPZTVGKV-IAQYHMDHSA-N 1 0 249.402 3.728 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)C1CCCC1 ZINC000666181224 487748130 /nfs/dbraw/zinc/74/81/30/487748130.db2.gz YGRMJVAPZTVGKV-NHYWBVRUSA-N 1 0 249.402 3.728 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)C1CCCC1 ZINC000666181225 487748256 /nfs/dbraw/zinc/74/82/56/487748256.db2.gz YGRMJVAPZTVGKV-XHDPSFHLSA-N 1 0 249.402 3.728 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199119 487803248 /nfs/dbraw/zinc/80/32/48/487803248.db2.gz RNBVXOMOIGJJCX-IAQYHMDHSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199120 487803023 /nfs/dbraw/zinc/80/30/23/487803023.db2.gz RNBVXOMOIGJJCX-XHDPSFHLSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199254 487810145 /nfs/dbraw/zinc/81/01/45/487810145.db2.gz RNBVXOMOIGJJCX-ABAIWWIYSA-N 1 0 243.354 3.520 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199255 487810303 /nfs/dbraw/zinc/81/03/03/487810303.db2.gz RNBVXOMOIGJJCX-NHYWBVRUSA-N 1 0 243.354 3.520 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666226603 487644455 /nfs/dbraw/zinc/64/44/55/487644455.db2.gz BBUVSPJMESSSCM-QJPTWQEYSA-N 1 0 231.330 3.755 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666226609 487644435 /nfs/dbraw/zinc/64/44/35/487644435.db2.gz BBUVSPJMESSSCM-SDDRHHMPSA-N 1 0 231.330 3.755 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666226610 487643929 /nfs/dbraw/zinc/64/39/29/487643929.db2.gz BBUVSPJMESSSCM-SRVKXCTJSA-N 1 0 231.330 3.755 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666226611 487643881 /nfs/dbraw/zinc/64/38/81/487643881.db2.gz BBUVSPJMESSSCM-TUAOUCFPSA-N 1 0 231.330 3.755 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000666226681 487763891 /nfs/dbraw/zinc/76/38/91/487763891.db2.gz CYNNMBKCYWVNKB-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666226694 487763842 /nfs/dbraw/zinc/76/38/42/487763842.db2.gz CYNNMBKCYWVNKB-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666226695 487763512 /nfs/dbraw/zinc/76/35/12/487763512.db2.gz CYNNMBKCYWVNKB-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000666226697 487763539 /nfs/dbraw/zinc/76/35/39/487763539.db2.gz CYNNMBKCYWVNKB-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CC1(F)F ZINC000666227237 487646025 /nfs/dbraw/zinc/64/60/25/487646025.db2.gz KIHSKMMFAPMNKH-HOSYDEDBSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CC1(F)F ZINC000666227240 487646377 /nfs/dbraw/zinc/64/63/77/487646377.db2.gz KIHSKMMFAPMNKH-JBLDHEPKSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CC1(F)F ZINC000666227241 487646473 /nfs/dbraw/zinc/64/64/73/487646473.db2.gz KIHSKMMFAPMNKH-NHCYSSNCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@H]1CC1(F)F ZINC000666227353 487647534 /nfs/dbraw/zinc/64/75/34/487647534.db2.gz FIFPAWXSDXDNCC-AXFHLTTASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@@H]1CC1(F)F ZINC000666227354 487646821 /nfs/dbraw/zinc/64/68/21/487646821.db2.gz FIFPAWXSDXDNCC-DCAQKATOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@@H]1CC1(F)F ZINC000666227355 487647413 /nfs/dbraw/zinc/64/74/13/487647413.db2.gz FIFPAWXSDXDNCC-GARJFASQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@H]1CC1(F)F ZINC000666227356 487647523 /nfs/dbraw/zinc/64/75/23/487647523.db2.gz FIFPAWXSDXDNCC-HBNTYKKESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CC1(F)F ZINC000666227398 487646285 /nfs/dbraw/zinc/64/62/85/487646285.db2.gz KIHSKMMFAPMNKH-UMNHJUIQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CC1(F)F ZINC000666227455 487648550 /nfs/dbraw/zinc/64/85/50/487648550.db2.gz HBWMXPKCIPZBOE-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CC1(F)F ZINC000666227458 487648047 /nfs/dbraw/zinc/64/80/47/487648047.db2.gz HBWMXPKCIPZBOE-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CC1(F)F ZINC000666227464 487648052 /nfs/dbraw/zinc/64/80/52/487648052.db2.gz HBWMXPKCIPZBOE-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CC1(F)F ZINC000666227467 487648444 /nfs/dbraw/zinc/64/84/44/487648444.db2.gz HBWMXPKCIPZBOE-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666227818 487648058 /nfs/dbraw/zinc/64/80/58/487648058.db2.gz JHSRQMKEDCQWHU-QJPTWQEYSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666227821 487648086 /nfs/dbraw/zinc/64/80/86/487648086.db2.gz JHSRQMKEDCQWHU-SDDRHHMPSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666227823 487648007 /nfs/dbraw/zinc/64/80/07/487648007.db2.gz JHSRQMKEDCQWHU-SRVKXCTJSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666227824 487648412 /nfs/dbraw/zinc/64/84/12/487648412.db2.gz JHSRQMKEDCQWHU-TUAOUCFPSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@H]1CC1(F)F ZINC000666227887 487650162 /nfs/dbraw/zinc/65/01/62/487650162.db2.gz KQZDFPULUYDTRK-KKOKHZNYSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@H]1CC1(F)F ZINC000666227889 487650715 /nfs/dbraw/zinc/65/07/15/487650715.db2.gz KQZDFPULUYDTRK-KXNHARMFSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666227891 487650489 /nfs/dbraw/zinc/65/04/89/487650489.db2.gz KQZDFPULUYDTRK-RHYQMDGZSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666227894 487650572 /nfs/dbraw/zinc/65/05/72/487650572.db2.gz KQZDFPULUYDTRK-WYUUTHIRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227946 487654575 /nfs/dbraw/zinc/65/45/75/487654575.db2.gz RPDMMOAONPJEPI-IKWCTNDRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227947 487654599 /nfs/dbraw/zinc/65/45/99/487654599.db2.gz RPDMMOAONPJEPI-WTIISPKJSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227948 487654595 /nfs/dbraw/zinc/65/45/95/487654595.db2.gz RPDMMOAONPJEPI-XVSSEFHLSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227949 487654688 /nfs/dbraw/zinc/65/46/88/487654688.db2.gz RPDMMOAONPJEPI-YWPUVAFDSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCCCC1 ZINC000666228199 487654566 /nfs/dbraw/zinc/65/45/66/487654566.db2.gz WQARXRFFVJUSMS-DRZSPHRISA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C1CCCCC1 ZINC000666228201 487654666 /nfs/dbraw/zinc/65/46/66/487654666.db2.gz WQARXRFFVJUSMS-RTXFEEFZSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCCCC1 ZINC000666228203 487654690 /nfs/dbraw/zinc/65/46/90/487654690.db2.gz WQARXRFFVJUSMS-UHTWSYAYSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCCCC1 ZINC000666228205 487654573 /nfs/dbraw/zinc/65/45/73/487654573.db2.gz WQARXRFFVJUSMS-WXHSDQCUSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666228211 487660097 /nfs/dbraw/zinc/66/00/97/487660097.db2.gz ONGCFMOMPOIOOQ-LOWDOPEQSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666228212 487659933 /nfs/dbraw/zinc/65/99/33/487659933.db2.gz ONGCFMOMPOIOOQ-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666228213 487660161 /nfs/dbraw/zinc/66/01/61/487660161.db2.gz ONGCFMOMPOIOOQ-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666228215 487660180 /nfs/dbraw/zinc/66/01/80/487660180.db2.gz ONGCFMOMPOIOOQ-RNJOBUHISA-N 1 0 245.357 3.979 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(F)F)cc1 ZINC000666228303 487764827 /nfs/dbraw/zinc/76/48/27/487764827.db2.gz YZIMMAVOQHWCDS-DMDPSCGWSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1 ZINC000666228306 487764796 /nfs/dbraw/zinc/76/47/96/487764796.db2.gz YZIMMAVOQHWCDS-GMXVVIOVSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666228307 487764254 /nfs/dbraw/zinc/76/42/54/487764254.db2.gz YZIMMAVOQHWCDS-GVXVVHGQSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666228308 487764241 /nfs/dbraw/zinc/76/42/41/487764241.db2.gz YZIMMAVOQHWCDS-LOWVWBTDSA-N 1 0 239.309 3.689 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666228624 583405278 /nfs/dbraw/zinc/40/52/78/583405278.db2.gz SZWBOSNMRJHFGD-CYDGBPFRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666228627 583405299 /nfs/dbraw/zinc/40/52/99/583405299.db2.gz SZWBOSNMRJHFGD-RVMXOQNASA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666228628 491109904 /nfs/dbraw/zinc/10/99/04/491109904.db2.gz SZWBOSNMRJHFGD-VOAKCMCISA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666228629 491109871 /nfs/dbraw/zinc/10/98/71/491109871.db2.gz SZWBOSNMRJHFGD-XQHKEYJVSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000666228913 487764565 /nfs/dbraw/zinc/76/45/65/487764565.db2.gz ZDJSBBCTRBUAPX-USZNOCQGSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000666228915 487764791 /nfs/dbraw/zinc/76/47/91/487764791.db2.gz ZDJSBBCTRBUAPX-WHOHXGKFSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000666228916 487764177 /nfs/dbraw/zinc/76/41/77/487764177.db2.gz ZDJSBBCTRBUAPX-WISYIIOYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000666228918 487764334 /nfs/dbraw/zinc/76/43/34/487764334.db2.gz ZDJSBBCTRBUAPX-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666228920 487764654 /nfs/dbraw/zinc/76/46/54/487764654.db2.gz ZHVFWYBLEOBQNU-GRYCIOLGSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666228921 487764459 /nfs/dbraw/zinc/76/44/59/487764459.db2.gz ZHVFWYBLEOBQNU-SDDRHHMPSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666228922 487764880 /nfs/dbraw/zinc/76/48/80/487764880.db2.gz ZHVFWYBLEOBQNU-SRVKXCTJSA-N 1 0 233.346 3.979 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666228923 487764916 /nfs/dbraw/zinc/76/49/16/487764916.db2.gz ZHVFWYBLEOBQNU-WOPDTQHZSA-N 1 0 233.346 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCC1 ZINC000666229176 487692293 /nfs/dbraw/zinc/69/22/93/487692293.db2.gz BPHKHEVTCHHQPY-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C1CCC1 ZINC000666229177 487692737 /nfs/dbraw/zinc/69/27/37/487692737.db2.gz BPHKHEVTCHHQPY-JLLWLGSASA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCC1 ZINC000666229178 487692422 /nfs/dbraw/zinc/69/24/22/487692422.db2.gz BPHKHEVTCHHQPY-USWWRNFRSA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCC1 ZINC000666229179 487692657 /nfs/dbraw/zinc/69/26/57/487692657.db2.gz BPHKHEVTCHHQPY-WCQGTBRESA-N 1 0 231.330 3.589 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(C)(C)C ZINC000666229238 487764517 /nfs/dbraw/zinc/76/45/17/487764517.db2.gz DSGZIJKHWKEUFN-AXFHLTTASA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(C)(C)C ZINC000666229239 487764747 /nfs/dbraw/zinc/76/47/47/487764747.db2.gz DSGZIJKHWKEUFN-DCAQKATOSA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(C)(C)C ZINC000666229240 487764876 /nfs/dbraw/zinc/76/48/76/487764876.db2.gz DSGZIJKHWKEUFN-MXWKQRLJSA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(C)(C)C ZINC000666229241 487764717 /nfs/dbraw/zinc/76/47/17/487764717.db2.gz DSGZIJKHWKEUFN-VWYCJHECSA-N 1 0 233.346 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000666229270 487764378 /nfs/dbraw/zinc/76/43/78/487764378.db2.gz FJZVYTGIZXKRFA-FVCCEPFGSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000666229271 487764525 /nfs/dbraw/zinc/76/45/25/487764525.db2.gz FJZVYTGIZXKRFA-NDBYEHHHSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000666229272 487764660 /nfs/dbraw/zinc/76/46/60/487764660.db2.gz FJZVYTGIZXKRFA-QNWHQSFQSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000666229273 487764383 /nfs/dbraw/zinc/76/43/83/487764383.db2.gz FJZVYTGIZXKRFA-RNJOBUHISA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666229318 490297744 /nfs/dbraw/zinc/29/77/44/490297744.db2.gz IGEKAQFTFHKPRX-GMTAPVOTSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666229319 490297587 /nfs/dbraw/zinc/29/75/87/490297587.db2.gz IGEKAQFTFHKPRX-MXWKQRLJSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666229320 490297787 /nfs/dbraw/zinc/29/77/87/490297787.db2.gz IGEKAQFTFHKPRX-OUAUKWLOSA-N 1 0 233.346 3.835 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666229321 490297954 /nfs/dbraw/zinc/29/79/54/490297954.db2.gz IGEKAQFTFHKPRX-VWYCJHECSA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCCC1 ZINC000666229481 487764861 /nfs/dbraw/zinc/76/48/61/487764861.db2.gz OHDLZJFDIGTMRJ-DRZSPHRISA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C1CCCC1 ZINC000666229482 487764479 /nfs/dbraw/zinc/76/44/79/487764479.db2.gz OHDLZJFDIGTMRJ-RTXFEEFZSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCCC1 ZINC000666229483 487764609 /nfs/dbraw/zinc/76/46/09/487764609.db2.gz OHDLZJFDIGTMRJ-UHTWSYAYSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCCC1 ZINC000666229484 487764805 /nfs/dbraw/zinc/76/48/05/487764805.db2.gz OHDLZJFDIGTMRJ-WXHSDQCUSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCCC1 ZINC000666229535 487736043 /nfs/dbraw/zinc/73/60/43/487736043.db2.gz PWRGSHKGEYUWON-DLOVCJGASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C1CCCC1 ZINC000666229536 487736122 /nfs/dbraw/zinc/73/61/22/487736122.db2.gz PWRGSHKGEYUWON-JLLWLGSASA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCCC1 ZINC000666229537 487736158 /nfs/dbraw/zinc/73/61/58/487736158.db2.gz PWRGSHKGEYUWON-USWWRNFRSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCCC1 ZINC000666229538 487736074 /nfs/dbraw/zinc/73/60/74/487736074.db2.gz PWRGSHKGEYUWON-WCQGTBRESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000666229634 490309965 /nfs/dbraw/zinc/30/99/65/490309965.db2.gz TYEJGJUOMFABKP-AXFHLTTASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000666229635 490309842 /nfs/dbraw/zinc/30/98/42/490309842.db2.gz TYEJGJUOMFABKP-DCAQKATOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@H]1CC1(F)F ZINC000666229636 490309948 /nfs/dbraw/zinc/30/99/48/490309948.db2.gz TYEJGJUOMFABKP-GARJFASQSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H]1CC1(F)F ZINC000666229637 490309918 /nfs/dbraw/zinc/30/99/18/490309918.db2.gz TYEJGJUOMFABKP-HBNTYKKESA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666229678 487767575 /nfs/dbraw/zinc/76/75/75/487767575.db2.gz VOCFIFWRIFPEID-KKOKHZNYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666229679 487767336 /nfs/dbraw/zinc/76/73/36/487767336.db2.gz VOCFIFWRIFPEID-QCNOEVLYSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666229680 487767364 /nfs/dbraw/zinc/76/73/64/487767364.db2.gz VOCFIFWRIFPEID-USZNOCQGSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666229681 487767508 /nfs/dbraw/zinc/76/75/08/487767508.db2.gz VOCFIFWRIFPEID-WYUUTHIRSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC1(F)F ZINC000666229682 487767501 /nfs/dbraw/zinc/76/75/01/487767501.db2.gz VOJTYYXJKOVOAM-BXKDBHETSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC1(F)F ZINC000666229683 487767356 /nfs/dbraw/zinc/76/73/56/487767356.db2.gz VOJTYYXJKOVOAM-CABZTGNLSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC1(F)F ZINC000666229684 487767424 /nfs/dbraw/zinc/76/74/24/487767424.db2.gz VOJTYYXJKOVOAM-JOYOIKCWSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC1(F)F ZINC000666229685 487767347 /nfs/dbraw/zinc/76/73/47/487767347.db2.gz VOJTYYXJKOVOAM-SKDRFNHKSA-N 1 0 243.341 3.589 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000666238367 487822649 /nfs/dbraw/zinc/82/26/49/487822649.db2.gz CGPCGWFXHXZOPC-BPNCWPANSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000666238369 487822531 /nfs/dbraw/zinc/82/25/31/487822531.db2.gz CGPCGWFXHXZOPC-GDLCADMTSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000666238372 487822446 /nfs/dbraw/zinc/82/24/46/487822446.db2.gz CGPCGWFXHXZOPC-LEWSCRJBSA-N 1 0 249.402 3.584 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000666238373 487822561 /nfs/dbraw/zinc/82/25/61/487822561.db2.gz CGPCGWFXHXZOPC-ZLKJLUDKSA-N 1 0 249.402 3.584 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC(C)(C)c1cccnc1 ZINC000666260399 487609226 /nfs/dbraw/zinc/60/92/26/487609226.db2.gz CRNHYBHFBDTXFK-CYBMUJFWSA-N 1 0 246.398 3.528 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)c1cccnc1 ZINC000666260401 487608771 /nfs/dbraw/zinc/60/87/71/487608771.db2.gz CRNHYBHFBDTXFK-ZDUSSCGKSA-N 1 0 246.398 3.528 20 0 BHADRO Cc1occc1C[N@@H+]1CCCc2sccc2C1 ZINC000666310120 487783418 /nfs/dbraw/zinc/78/34/18/487783418.db2.gz HBOSOWGOQUYLJX-UHFFFAOYSA-N 1 0 247.363 3.598 20 0 BHADRO Cc1occc1C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000666356176 487793509 /nfs/dbraw/zinc/79/35/09/487793509.db2.gz XXRYJZZWVHMABH-UHFFFAOYSA-N 1 0 243.297 3.646 20 0 BHADRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000666436880 487809109 /nfs/dbraw/zinc/80/91/09/487809109.db2.gz JTPCJUCZRKDFFN-UKRRQHHQSA-N 1 0 246.329 3.538 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CC1(F)F ZINC000666444207 488010453 /nfs/dbraw/zinc/01/04/53/488010453.db2.gz DCDLKUJLXRDFPM-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CC1(F)F ZINC000666444208 488010352 /nfs/dbraw/zinc/01/03/52/488010352.db2.gz DCDLKUJLXRDFPM-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CC1(F)F ZINC000666444209 488010258 /nfs/dbraw/zinc/01/02/58/488010258.db2.gz DCDLKUJLXRDFPM-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CC1(F)F ZINC000666444210 488010418 /nfs/dbraw/zinc/01/04/18/488010418.db2.gz DCDLKUJLXRDFPM-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCCC1)[C@@H]1CC1(F)F ZINC000666444377 491088498 /nfs/dbraw/zinc/08/84/98/491088498.db2.gz FJMVSIDCOJCNDH-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCCC1)[C@H]1CC1(F)F ZINC000666444378 491088533 /nfs/dbraw/zinc/08/85/33/491088533.db2.gz FJMVSIDCOJCNDH-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCCC1)[C@@H]1CC1(F)F ZINC000666444379 491088536 /nfs/dbraw/zinc/08/85/36/491088536.db2.gz FJMVSIDCOJCNDH-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCCC1)[C@H]1CC1(F)F ZINC000666444380 491088530 /nfs/dbraw/zinc/08/85/30/491088530.db2.gz FJMVSIDCOJCNDH-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CC1(F)F ZINC000666444677 487801326 /nfs/dbraw/zinc/80/13/26/487801326.db2.gz JKVZVJFSEYNQAH-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CC1(F)F ZINC000666444678 487800934 /nfs/dbraw/zinc/80/09/34/487800934.db2.gz JKVZVJFSEYNQAH-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CC1(F)F ZINC000666444679 487800938 /nfs/dbraw/zinc/80/09/38/487800938.db2.gz JKVZVJFSEYNQAH-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CC1(F)F ZINC000666444680 487802008 /nfs/dbraw/zinc/80/20/08/487802008.db2.gz JKVZVJFSEYNQAH-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CC1(F)F ZINC000666445124 488012680 /nfs/dbraw/zinc/01/26/80/488012680.db2.gz PXTRVCOZGZDNHF-CMPLNLGQSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CC1(F)F ZINC000666445125 488012673 /nfs/dbraw/zinc/01/26/73/488012673.db2.gz PXTRVCOZGZDNHF-JQWIXIFHSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CC1(F)F ZINC000666445126 488012893 /nfs/dbraw/zinc/01/28/93/488012893.db2.gz PXTRVCOZGZDNHF-PWSUYJOCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CC1(F)F ZINC000666445127 488012941 /nfs/dbraw/zinc/01/29/41/488012941.db2.gz PXTRVCOZGZDNHF-ZYHUDNBSSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000666445194 488012605 /nfs/dbraw/zinc/01/26/05/488012605.db2.gz RBXRWHQZSDDJAB-GHMZBOCLSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000666445195 488012655 /nfs/dbraw/zinc/01/26/55/488012655.db2.gz RBXRWHQZSDDJAB-MNOVXSKESA-N 1 0 233.346 3.836 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000666445196 488013252 /nfs/dbraw/zinc/01/32/52/488013252.db2.gz RBXRWHQZSDDJAB-QWRGUYRKSA-N 1 0 233.346 3.836 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000666445197 488013011 /nfs/dbraw/zinc/01/30/11/488013011.db2.gz RBXRWHQZSDDJAB-WDEREUQCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)[C@H]1CC1(F)F ZINC000666445366 488012626 /nfs/dbraw/zinc/01/26/26/488012626.db2.gz SKVOQBQQVJBKLU-QJPTWQEYSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)[C@H]1CC1(F)F ZINC000666445367 488013122 /nfs/dbraw/zinc/01/31/22/488013122.db2.gz SKVOQBQQVJBKLU-SDDRHHMPSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000666445368 488012665 /nfs/dbraw/zinc/01/26/65/488012665.db2.gz SKVOQBQQVJBKLU-SRVKXCTJSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000666445369 488012709 /nfs/dbraw/zinc/01/27/09/488012709.db2.gz SKVOQBQQVJBKLU-TUAOUCFPSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)[C@H]1CC1(F)F)C(C)C ZINC000666445926 487811240 /nfs/dbraw/zinc/81/12/40/487811240.db2.gz ZAXCXBDUFJPCIP-CMPLNLGQSA-N 1 0 233.346 3.548 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000666445927 487811960 /nfs/dbraw/zinc/81/19/60/487811960.db2.gz ZAXCXBDUFJPCIP-JQWIXIFHSA-N 1 0 233.346 3.548 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000666445928 487811627 /nfs/dbraw/zinc/81/16/27/487811627.db2.gz ZAXCXBDUFJPCIP-PWSUYJOCSA-N 1 0 233.346 3.548 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)[C@H]1CC1(F)F)C(C)C ZINC000666445941 487811358 /nfs/dbraw/zinc/81/13/58/487811358.db2.gz ZAXCXBDUFJPCIP-ZYHUDNBSSA-N 1 0 233.346 3.548 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)[C@@H]1CC1(F)F ZINC000666445963 488013947 /nfs/dbraw/zinc/01/39/47/488013947.db2.gz ZGFNWCYJKVKOBY-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)[C@H]1CC1(F)F ZINC000666445964 488013809 /nfs/dbraw/zinc/01/38/09/488013809.db2.gz ZGFNWCYJKVKOBY-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)[C@H]1CC1(F)F ZINC000666445966 488013916 /nfs/dbraw/zinc/01/39/16/488013916.db2.gz ZGFNWCYJKVKOBY-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)[C@@H]1CC1(F)F ZINC000666445967 488013783 /nfs/dbraw/zinc/01/37/83/488013783.db2.gz ZGFNWCYJKVKOBY-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](C[NH2+]CC(C)(C)c1cccnc1)C(C)(C)C ZINC000666474212 487816039 /nfs/dbraw/zinc/81/60/39/487816039.db2.gz HMFPPHYPLYDBJD-CYBMUJFWSA-N 1 0 248.414 3.631 20 0 BHADRO C[C@@H](C[NH2+]CC(C)(C)c1cccnc1)C(C)(C)C ZINC000666474213 487815654 /nfs/dbraw/zinc/81/56/54/487815654.db2.gz HMFPPHYPLYDBJD-ZDUSSCGKSA-N 1 0 248.414 3.631 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)o1 ZINC000666488312 487819574 /nfs/dbraw/zinc/81/95/74/487819574.db2.gz YDDGZFPLWCQTKU-LLVKDONJSA-N 1 0 239.746 3.555 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)o1 ZINC000666488313 487819152 /nfs/dbraw/zinc/81/91/52/487819152.db2.gz YDDGZFPLWCQTKU-NSHDSACASA-N 1 0 239.746 3.555 20 0 BHADRO C[C@H]([NH3+])c1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000666750393 487870881 /nfs/dbraw/zinc/87/08/81/487870881.db2.gz YMIHHYFWAZEQIC-NEPJUHHUSA-N 1 0 234.387 3.800 20 0 BHADRO C[C@@H]([NH3+])c1ccc(NC[C@H](C)C(C)(C)C)cc1 ZINC000666750394 487870496 /nfs/dbraw/zinc/87/04/96/487870496.db2.gz YMIHHYFWAZEQIC-NWDGAFQWSA-N 1 0 234.387 3.800 20 0 BHADRO C[C@@H](CNc1ccc([C@H](C)[NH3+])cc1)C(C)(C)C ZINC000666750395 487871065 /nfs/dbraw/zinc/87/10/65/487871065.db2.gz YMIHHYFWAZEQIC-RYUDHWBXSA-N 1 0 234.387 3.800 20 0 BHADRO C[C@@H]([NH3+])c1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000666750396 487870720 /nfs/dbraw/zinc/87/07/20/487870720.db2.gz YMIHHYFWAZEQIC-VXGBXAGGSA-N 1 0 234.387 3.800 20 0 BHADRO C[NH2+]Cc1ccccc1NC[C@@H](C)C(C)(C)C ZINC000666810314 487884394 /nfs/dbraw/zinc/88/43/94/487884394.db2.gz TVBOZAWVQUYSJO-GFCCVEGCSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1ccccc1NC[C@H](C)C(C)(C)C ZINC000666810315 487884542 /nfs/dbraw/zinc/88/45/42/487884542.db2.gz TVBOZAWVQUYSJO-LBPRGKRZSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1cccc(NC[C@@H](C)C(C)(C)C)c1 ZINC000666812107 487884614 /nfs/dbraw/zinc/88/46/14/487884614.db2.gz QPUHVMVSFWUHJY-GFCCVEGCSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1cccc(NC[C@H](C)C(C)(C)C)c1 ZINC000666812113 487884739 /nfs/dbraw/zinc/88/47/39/487884739.db2.gz QPUHVMVSFWUHJY-LBPRGKRZSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000666907176 487877456 /nfs/dbraw/zinc/87/74/56/487877456.db2.gz BPXXAWVYUGDFQB-GFCCVEGCSA-N 1 0 234.387 3.500 20 0 BHADRO C[NH2+]Cc1ccc(NC[C@H](C)C(C)(C)C)cc1 ZINC000666907177 487877765 /nfs/dbraw/zinc/87/77/65/487877765.db2.gz BPXXAWVYUGDFQB-LBPRGKRZSA-N 1 0 234.387 3.500 20 0 BHADRO CCC[N@H+](CC)Cc1cc2ccncc2s1 ZINC000667463060 488015045 /nfs/dbraw/zinc/01/50/45/488015045.db2.gz BOAYKNXXMBXYCP-UHFFFAOYSA-N 1 0 234.368 3.528 20 0 BHADRO c1c2ccncc2sc1C[NH+]1CCCCCC1 ZINC000667470874 488016180 /nfs/dbraw/zinc/01/61/80/488016180.db2.gz OGJACKPEMOPOBD-UHFFFAOYSA-N 1 0 246.379 3.672 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667471624 488017545 /nfs/dbraw/zinc/01/75/45/488017545.db2.gz FGTFFQGZACUDHN-LLVKDONJSA-N 1 0 246.379 3.528 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667471625 488017400 /nfs/dbraw/zinc/01/74/00/488017400.db2.gz FGTFFQGZACUDHN-NSHDSACASA-N 1 0 246.379 3.528 20 0 BHADRO CCC[NH+](CCC)Cc1cc2ccncc2s1 ZINC000667472410 487566903 /nfs/dbraw/zinc/56/69/03/487566903.db2.gz GYCSFTOLAYSBGG-UHFFFAOYSA-N 1 0 248.395 3.918 20 0 BHADRO CCCC[N@H+](C)Cc1cc2ccncc2s1 ZINC000667472827 488015388 /nfs/dbraw/zinc/01/53/88/488015388.db2.gz RJTAJNKRIRUQTK-UHFFFAOYSA-N 1 0 234.368 3.528 20 0 BHADRO CCC[NH+](CCC)Cc1cc(COC)cs1 ZINC000667472942 488016093 /nfs/dbraw/zinc/01/60/93/488016093.db2.gz XAGGXNBYGPBAGF-UHFFFAOYSA-N 1 0 241.400 3.517 20 0 BHADRO CCCC[N@H+](CC)Cc1cc2ccncc2s1 ZINC000667473263 488018335 /nfs/dbraw/zinc/01/83/35/488018335.db2.gz DQZHUTRQLOVSOW-UHFFFAOYSA-N 1 0 248.395 3.918 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cc2ccncc2s1 ZINC000667473354 488018462 /nfs/dbraw/zinc/01/84/62/488018462.db2.gz HGIRENYTRVUTMG-LLVKDONJSA-N 1 0 246.379 3.671 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc2ccncc2s1 ZINC000667473355 488018303 /nfs/dbraw/zinc/01/83/03/488018303.db2.gz HGIRENYTRVUTMG-NSHDSACASA-N 1 0 246.379 3.671 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(COC)cs1 ZINC000667473666 488019844 /nfs/dbraw/zinc/01/98/44/488019844.db2.gz QXGAVXAQAPSVJJ-UHFFFAOYSA-N 1 0 241.400 3.517 20 0 BHADRO CC1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667473858 488019915 /nfs/dbraw/zinc/01/99/15/488019915.db2.gz XIXXSEMCFGPROX-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO C[N@H+](Cc1cc2ccncc2s1)C1CCCC1 ZINC000667491776 488025912 /nfs/dbraw/zinc/02/59/12/488025912.db2.gz GYSWTPOGDGRNSO-UHFFFAOYSA-N 1 0 246.379 3.671 20 0 BHADRO Cc1cccc2[nH]c(C[N@@H+](C)C3CCCC3)cc21 ZINC000667491886 488025702 /nfs/dbraw/zinc/02/57/02/488025702.db2.gz LGIDNLRFDKUVEI-UHFFFAOYSA-N 1 0 242.366 3.851 20 0 BHADRO Cc1ccc2cc(C[N@@H+](C)C3CCCC3)[nH]c2c1 ZINC000667492115 487589252 /nfs/dbraw/zinc/58/92/52/487589252.db2.gz WNDKCQXGWDYBCI-UHFFFAOYSA-N 1 0 242.366 3.851 20 0 BHADRO CCOc1ccc(C[NH+]2C3CCC2CC3)c(C)c1 ZINC000667493413 488025812 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488107721 /nfs/dbraw/zinc/10/77/21/488107721.db2.gz NLKDOOQNLFKDRY-FZMZJTMJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000667757849 488108060 /nfs/dbraw/zinc/10/80/60/488108060.db2.gz NLKDOOQNLFKDRY-RISCZKNCSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(F)cc1 ZINC000667757850 488108114 /nfs/dbraw/zinc/10/81/14/488108114.db2.gz NLKDOOQNLFKDRY-SMDDNHRTSA-N 1 0 233.330 3.809 20 0 BHADRO Cc1cccc2[nH]c(C[N@H+]3CC[C@H]3C(C)C)cc21 ZINC000667758312 488107968 /nfs/dbraw/zinc/10/79/68/488107968.db2.gz AOYNMJIACGVXGE-INIZCTEOSA-N 1 0 242.366 3.707 20 0 BHADRO Cc1cccc2[nH]c(C[N@H+]3CC[C@@H]3C(C)C)cc21 ZINC000667758313 488108295 /nfs/dbraw/zinc/10/82/95/488108295.db2.gz AOYNMJIACGVXGE-MRXNPFEDSA-N 1 0 242.366 3.707 20 0 BHADRO Cc1ccc2cc(C[N@H+]3CC[C@H]3C(C)C)[nH]c2c1 ZINC000667758730 488108496 /nfs/dbraw/zinc/10/84/96/488108496.db2.gz MXWMNZICFVSEQF-INIZCTEOSA-N 1 0 242.366 3.707 20 0 BHADRO Cc1ccc2cc(C[N@H+]3CC[C@@H]3C(C)C)[nH]c2c1 ZINC000667758731 488107704 /nfs/dbraw/zinc/10/77/04/488107704.db2.gz MXWMNZICFVSEQF-MRXNPFEDSA-N 1 0 242.366 3.707 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2ccncc2s1 ZINC000667758968 488107917 /nfs/dbraw/zinc/10/79/17/488107917.db2.gz VBXHLWRRLHGWHQ-CYBMUJFWSA-N 1 0 246.379 3.527 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2ccncc2s1 ZINC000667758969 488109448 /nfs/dbraw/zinc/10/94/48/488109448.db2.gz VBXHLWRRLHGWHQ-ZDUSSCGKSA-N 1 0 246.379 3.527 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC12CC2 ZINC000667769579 488115592 /nfs/dbraw/zinc/11/55/92/488115592.db2.gz AIAUAGJEUOVMKT-CABCVRRESA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC12CC2 ZINC000667769580 488115799 /nfs/dbraw/zinc/11/57/99/488115799.db2.gz AIAUAGJEUOVMKT-GJZGRUSLSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000667769581 488115752 /nfs/dbraw/zinc/11/57/52/488115752.db2.gz AIAUAGJEUOVMKT-HUUCEWRRSA-N 1 0 227.351 3.596 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000667769582 488115965 /nfs/dbraw/zinc/11/59/65/488115965.db2.gz AIAUAGJEUOVMKT-LSDHHAIUSA-N 1 0 227.351 3.596 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1cccs1 ZINC000667885536 488147903 /nfs/dbraw/zinc/14/79/03/488147903.db2.gz WFOSAFOBYVWWCA-MYZSUADSSA-N 1 0 249.423 3.705 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1cccs1 ZINC000667885537 488148321 /nfs/dbraw/zinc/14/83/21/488148321.db2.gz WFOSAFOBYVWWCA-NEBZKDRISA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1cccs1 ZINC000667885538 488148117 /nfs/dbraw/zinc/14/81/17/488148117.db2.gz WFOSAFOBYVWWCA-RJZRQDKASA-N 1 0 249.423 3.705 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1cccs1 ZINC000667885539 488147969 /nfs/dbraw/zinc/14/79/69/488147969.db2.gz WFOSAFOBYVWWCA-UXOAXIEHSA-N 1 0 249.423 3.705 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667895682 488150479 /nfs/dbraw/zinc/15/04/79/488150479.db2.gz ZACYUTBXZNJXJQ-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667895683 488150380 /nfs/dbraw/zinc/15/03/80/488150380.db2.gz ZACYUTBXZNJXJQ-RRFJBIMHSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667895684 488150170 /nfs/dbraw/zinc/15/01/70/488150170.db2.gz ZACYUTBXZNJXJQ-SOUVJXGZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667895685 488150027 /nfs/dbraw/zinc/15/00/27/488150027.db2.gz ZACYUTBXZNJXJQ-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668095159 491116853 /nfs/dbraw/zinc/11/68/53/491116853.db2.gz CENYJZKPKDRVPU-IJEWVQPXSA-N 1 0 247.357 3.537 20 0 BHADRO Fc1ccccc1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668095160 491116848 /nfs/dbraw/zinc/11/68/48/491116848.db2.gz CENYJZKPKDRVPU-YCPHGPKFSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1cccc2[nH]c(C[N@H+]3CCC=C(C)C3)cc21 ZINC000668100154 488203097 /nfs/dbraw/zinc/20/30/97/488203097.db2.gz DLDPUNVKPUZLIF-UHFFFAOYSA-N 1 0 240.350 3.628 20 0 BHADRO Cc1ccc2cc(C[N@H+]3CCC=C(C)C3)[nH]c2c1 ZINC000668100524 488203189 /nfs/dbraw/zinc/20/31/89/488203189.db2.gz PCGLWHIJRFLHBK-UHFFFAOYSA-N 1 0 240.350 3.628 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CF ZINC000668174824 487863936 /nfs/dbraw/zinc/86/39/36/487863936.db2.gz ZREJIUPLCXSCRL-GWCFXTLKSA-N 1 0 243.753 3.609 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CF ZINC000668174825 487864058 /nfs/dbraw/zinc/86/40/58/487864058.db2.gz ZREJIUPLCXSCRL-GXFFZTMASA-N 1 0 243.753 3.609 20 0 BHADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CF ZINC000668174826 487863981 /nfs/dbraw/zinc/86/39/81/487863981.db2.gz ZREJIUPLCXSCRL-MFKMUULPSA-N 1 0 243.753 3.609 20 0 BHADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CF ZINC000668174827 487863974 /nfs/dbraw/zinc/86/39/74/487863974.db2.gz ZREJIUPLCXSCRL-ZWNOBZJWSA-N 1 0 243.753 3.609 20 0 BHADRO c1cc2cc(N[C@H]3CCCC34CC4)ccc2c[nH+]1 ZINC000668229554 487492557 /nfs/dbraw/zinc/49/25/57/487492557.db2.gz MGFWMAGHXWJZCU-HNNXBMFYSA-N 1 0 238.334 3.979 20 0 BHADRO c1cc2cc(N[C@@H]3CCCC34CC4)ccc2c[nH+]1 ZINC000668229555 487492777 /nfs/dbraw/zinc/49/27/77/487492777.db2.gz MGFWMAGHXWJZCU-OAHLLOKOSA-N 1 0 238.334 3.979 20 0 BHADRO CC(C)c1cccc(C[NH+]2CC(C(F)F)C2)c1 ZINC000668232088 487500240 /nfs/dbraw/zinc/50/02/40/487500240.db2.gz BPNRWEYYXGWNTD-UHFFFAOYSA-N 1 0 239.309 3.507 20 0 BHADRO CC(C)c1cccc(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000668232502 637335541 /nfs/dbraw/zinc/33/55/41/637335541.db2.gz UKMOYLOAPMDYPV-UHFFFAOYSA-N 1 0 247.357 3.744 20 0 BHADRO CCC1(C)C[NH+](Cc2cc3ccncc3s2)C1 ZINC000668233627 487506637 /nfs/dbraw/zinc/50/66/37/487506637.db2.gz GAGHWBLCSDRNPZ-UHFFFAOYSA-N 1 0 246.379 3.528 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(CF)(CF)C1)C1CCC1 ZINC000668236977 487519610 /nfs/dbraw/zinc/51/96/10/487519610.db2.gz BVSUFHIXUZCOFS-CYBMUJFWSA-N 1 0 245.357 3.633 20 0 BHADRO CCC[C@H]([NH2+]C1CC(CF)(CF)C1)C1CCC1 ZINC000668236978 487519672 /nfs/dbraw/zinc/51/96/72/487519672.db2.gz BVSUFHIXUZCOFS-ZDUSSCGKSA-N 1 0 245.357 3.633 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCSCC1)C1CCC1 ZINC000668237759 487520750 /nfs/dbraw/zinc/52/07/50/487520750.db2.gz XRHUQLYKJQSNHW-KBPBESRZSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCSCC1)C1CCC1 ZINC000668237760 487520702 /nfs/dbraw/zinc/52/07/02/487520702.db2.gz XRHUQLYKJQSNHW-KGLIPLIRSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCSCC1)C1CCC1 ZINC000668237761 487520933 /nfs/dbraw/zinc/52/09/33/487520933.db2.gz XRHUQLYKJQSNHW-UONOGXRCSA-N 1 0 241.444 3.831 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCSCC1)C1CCC1 ZINC000668237762 487520491 /nfs/dbraw/zinc/52/04/91/487520491.db2.gz XRHUQLYKJQSNHW-ZIAGYGMSSA-N 1 0 241.444 3.831 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000668272814 487605216 /nfs/dbraw/zinc/60/52/16/487605216.db2.gz NCBOTIGPRHYTQV-MTSZKFMLSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000668272815 487605126 /nfs/dbraw/zinc/60/51/26/487605126.db2.gz NCBOTIGPRHYTQV-OVYGPGRDSA-N 1 0 241.378 3.568 20 0 BHADRO Cc1ccc2cc(C[N@@H+](C)C(C)(C)C)[nH]c2c1 ZINC000668277371 487613207 /nfs/dbraw/zinc/61/32/07/487613207.db2.gz GBIKQSUXSLLVSN-UHFFFAOYSA-N 1 0 230.355 3.707 20 0 BHADRO C[N@H+](Cc1cc2ccncc2s1)C(C)(C)C ZINC000668277390 487613234 /nfs/dbraw/zinc/61/32/34/487613234.db2.gz GKTIEGPGFFDHOT-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO Cc1cccc2[nH]c(C[N@@H+](C)C(C)(C)C)cc21 ZINC000668277543 487613604 /nfs/dbraw/zinc/61/36/04/487613604.db2.gz JYPQZWBLKXPWLD-UHFFFAOYSA-N 1 0 230.355 3.707 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668283428 582583956 /nfs/dbraw/zinc/58/39/56/582583956.db2.gz QFUPOGPHQPLSMS-UVLCOCDESA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668283429 582584335 /nfs/dbraw/zinc/58/43/35/582584335.db2.gz QFUPOGPHQPLSMS-YYESSZKYSA-N 1 0 241.378 3.629 20 0 BHADRO CCC[N@H+](Cc1cc(COC)cs1)C(C)C ZINC000668295105 487632132 /nfs/dbraw/zinc/63/21/32/487632132.db2.gz JRIXDYJUBKKDPM-UHFFFAOYSA-N 1 0 241.400 3.515 20 0 BHADRO CCC[N@H+](Cc1cc2ccncc2s1)C(C)C ZINC000668295681 487632157 /nfs/dbraw/zinc/63/21/57/487632157.db2.gz WUMIORVWOBDNKS-UHFFFAOYSA-N 1 0 248.395 3.917 20 0 BHADRO c1cc2cccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)c2[nH]1 ZINC000668299401 487634175 /nfs/dbraw/zinc/63/41/75/487634175.db2.gz CUJASEHCWXBOQE-ZFWWWQNUSA-N 1 0 240.350 3.542 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299528 487634022 /nfs/dbraw/zinc/63/40/22/487634022.db2.gz JKXLIDXFKHBWGO-UBHSHLNASA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299529 487634522 /nfs/dbraw/zinc/63/45/22/487634522.db2.gz JKXLIDXFKHBWGO-XBFCOCLRSA-N 1 0 235.396 3.554 20 0 BHADRO Clc1cscc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299608 487636293 /nfs/dbraw/zinc/63/62/93/487636293.db2.gz MVPAEQJMLQBLOT-CABZTGNLSA-N 1 0 241.787 3.776 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000668299619 487636279 /nfs/dbraw/zinc/63/62/79/487636279.db2.gz NBOPLCHJFBIMFH-HZMVEIRTSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000668299620 487636145 /nfs/dbraw/zinc/63/61/45/487636145.db2.gz NBOPLCHJFBIMFH-NXOAAHMSSA-N 1 0 241.378 3.665 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000668299621 487636225 /nfs/dbraw/zinc/63/62/25/487636225.db2.gz NBOPLCHJFBIMFH-YVSFHVDLSA-N 1 0 241.378 3.665 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299633 487635590 /nfs/dbraw/zinc/63/55/90/487635590.db2.gz NKJVCIKYJJKLQR-BBRMVZONSA-N 1 0 240.350 3.542 20 0 BHADRO c1cc2c(cccc2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000668299642 487636187 /nfs/dbraw/zinc/63/61/87/487636187.db2.gz NZHPNRYLOYNBHG-BBRMVZONSA-N 1 0 240.350 3.542 20 0 BHADRO CC(C)=CCC[C@H](C)CC[N@H+](C)Cc1cnc[nH]1 ZINC000668422266 487727801 /nfs/dbraw/zinc/72/78/01/487727801.db2.gz WKJIJRPOTRIAHX-AWEZNQCLSA-N 1 0 249.402 3.614 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[N@H+](C)Cc1cnc[nH]1 ZINC000668422267 487727470 /nfs/dbraw/zinc/72/74/70/487727470.db2.gz WKJIJRPOTRIAHX-CQSZACIVSA-N 1 0 249.402 3.614 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCC1CC(OC)C1 ZINC000668433868 487747321 /nfs/dbraw/zinc/74/73/21/487747321.db2.gz AXMYJXXSOOUYGA-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H](C)c1ccccn1 ZINC000668437132 487752937 /nfs/dbraw/zinc/75/29/37/487752937.db2.gz YLIWGMFMWFBTOZ-AWEZNQCLSA-N 1 0 248.414 3.991 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H](C)c1ccccn1 ZINC000668437133 487752662 /nfs/dbraw/zinc/75/26/62/487752662.db2.gz YLIWGMFMWFBTOZ-CQSZACIVSA-N 1 0 248.414 3.991 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCCCC1)c1ccccn1 ZINC000668437389 487755672 /nfs/dbraw/zinc/75/56/72/487755672.db2.gz GVRNJFPVBFTXED-AWEZNQCLSA-N 1 0 246.398 3.745 20 0 BHADRO C[C@H](C[NH2+]CCC1CCCCC1)c1ccccn1 ZINC000668437390 487755690 /nfs/dbraw/zinc/75/56/90/487755690.db2.gz GVRNJFPVBFTXED-CQSZACIVSA-N 1 0 246.398 3.745 20 0 BHADRO CC[C@H](C[NH2+][C@]12C[C@H]1CCC2)c1ccccc1 ZINC000668445878 487767971 /nfs/dbraw/zinc/76/79/71/487767971.db2.gz ADWAFZZJNIDOCH-FVQBIDKESA-N 1 0 229.367 3.712 20 0 BHADRO CC[C@H](C[NH2+][C@@]12C[C@@H]1CCC2)c1ccccc1 ZINC000668445879 487767856 /nfs/dbraw/zinc/76/78/56/487767856.db2.gz ADWAFZZJNIDOCH-KBMXLJTQSA-N 1 0 229.367 3.712 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+][C@]12C[C@H]1CCC2 ZINC000668446444 487768378 /nfs/dbraw/zinc/76/83/78/487768378.db2.gz GGDYOTPRSHXBED-NVXWUHKLSA-N 1 0 237.346 3.872 20 0 BHADRO c1ccc2c(c1)cccc2C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000668446447 487768357 /nfs/dbraw/zinc/76/83/57/487768357.db2.gz GGDYOTPRSHXBED-RDJZCZTQSA-N 1 0 237.346 3.872 20 0 BHADRO C[C@H](CC[NH2+][C@]12C[C@H]1CCC2)c1ccccc1 ZINC000668446922 487768920 /nfs/dbraw/zinc/76/89/20/487768920.db2.gz KMDCURJYCOQNJM-FVQBIDKESA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](CC[NH2+][C@@]12C[C@@H]1CCC2)c1ccccc1 ZINC000668446923 487768940 /nfs/dbraw/zinc/76/89/40/487768940.db2.gz KMDCURJYCOQNJM-KBMXLJTQSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@]12C[C@@H]1CCC2 ZINC000668447551 487769567 /nfs/dbraw/zinc/76/95/67/487769567.db2.gz SVTWCZRRIQJHEU-INWMFGNUSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@]12C[C@H]1CCC2 ZINC000668447553 487769772 /nfs/dbraw/zinc/76/97/72/487769772.db2.gz SVTWCZRRIQJHEU-XNRPHZJLSA-N 1 0 247.357 3.679 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@]12C[C@H]1CCC2 ZINC000668447615 487769779 /nfs/dbraw/zinc/76/97/79/487769779.db2.gz VQTVQZBOYAZMCV-GBJTYRQASA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000668447616 487769764 /nfs/dbraw/zinc/76/97/64/487769764.db2.gz VQTVQZBOYAZMCV-XQLPTFJDSA-N 1 0 219.372 3.511 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000668447667 487769486 /nfs/dbraw/zinc/76/94/86/487769486.db2.gz WXYUBEYZNOMBFX-LRDDRELGSA-N 1 0 241.334 3.773 20 0 BHADRO Cc1oc2ccccc2c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000668447668 487769751 /nfs/dbraw/zinc/76/97/51/487769751.db2.gz WXYUBEYZNOMBFX-MLGOLLRUSA-N 1 0 241.334 3.773 20 0 BHADRO Cc1ccoc1C[NH+]1CCC(c2ccco2)CC1 ZINC000668462545 487784934 /nfs/dbraw/zinc/78/49/34/487784934.db2.gz PDNPXYAOPIUDIY-UHFFFAOYSA-N 1 0 245.322 3.561 20 0 BHADRO Cc1occc1C[NH+]1CCC(c2ccco2)CC1 ZINC000668462787 487785519 /nfs/dbraw/zinc/78/55/19/487785519.db2.gz IZGJUOUDPVQURR-UHFFFAOYSA-N 1 0 245.322 3.561 20 0 BHADRO Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)o1 ZINC000668463073 490266322 /nfs/dbraw/zinc/26/63/22/490266322.db2.gz VGUQHPKHCJYSNI-UHFFFAOYSA-N 1 0 245.322 3.561 20 0 BHADRO CCc1ccc(C)[nH+]c1N[C@H](C)c1ccccn1 ZINC000668478712 487806118 /nfs/dbraw/zinc/80/61/18/487806118.db2.gz QAIKNNKPZXYOKC-GFCCVEGCSA-N 1 0 241.338 3.521 20 0 BHADRO CCc1ccc(C)[nH+]c1N[C@@H](C)c1ccccn1 ZINC000668478724 490281476 /nfs/dbraw/zinc/28/14/76/490281476.db2.gz QAIKNNKPZXYOKC-LBPRGKRZSA-N 1 0 241.338 3.521 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000668479439 487808475 /nfs/dbraw/zinc/80/84/75/487808475.db2.gz YGVDNCMGFSEGMP-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000668479440 487808413 /nfs/dbraw/zinc/80/84/13/487808413.db2.gz YGVDNCMGFSEGMP-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1cnccc1C ZINC000668486170 487818805 /nfs/dbraw/zinc/81/88/05/487818805.db2.gz BUJCDGRPZDVPBL-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000668502205 487859392 /nfs/dbraw/zinc/85/93/92/487859392.db2.gz KQJYVXKZWGRXFG-QJPTWQEYSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000668502208 487859362 /nfs/dbraw/zinc/85/93/62/487859362.db2.gz KQJYVXKZWGRXFG-SDDRHHMPSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000668502209 487859416 /nfs/dbraw/zinc/85/94/16/487859416.db2.gz KQJYVXKZWGRXFG-SRVKXCTJSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000668502213 487859397 /nfs/dbraw/zinc/85/93/97/487859397.db2.gz KQJYVXKZWGRXFG-TUAOUCFPSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCC2)c1cscn1 ZINC000668504525 541326134 /nfs/dbraw/zinc/32/61/34/541326134.db2.gz SAXBFAJRDCIRGU-CMPLNLGQSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCC2)c1cscn1 ZINC000668504526 541326170 /nfs/dbraw/zinc/32/61/70/541326170.db2.gz SAXBFAJRDCIRGU-JQWIXIFHSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CCC2)c1cscn1 ZINC000668504527 490339222 /nfs/dbraw/zinc/33/92/22/490339222.db2.gz SAXBFAJRDCIRGU-PWSUYJOCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CCC2)c1cscn1 ZINC000668504528 490339186 /nfs/dbraw/zinc/33/91/86/490339186.db2.gz SAXBFAJRDCIRGU-ZYHUDNBSSA-N 1 0 236.384 3.517 20 0 BHADRO Cc1cc[nH+]c(NC2CCSCC2)c1C1CC1 ZINC000668511694 487870004 /nfs/dbraw/zinc/87/00/04/487870004.db2.gz GTSKOWIEFYTGHQ-UHFFFAOYSA-N 1 0 248.395 3.575 20 0 BHADRO Cc1cc[nH+]c(NC2CCCC2)c1C1CC1 ZINC000668512413 487872014 /nfs/dbraw/zinc/87/20/14/487872014.db2.gz MLCSZYUABDURSA-UHFFFAOYSA-N 1 0 216.328 3.622 20 0 BHADRO C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000668520710 491127056 /nfs/dbraw/zinc/12/70/56/491127056.db2.gz ZIMKCGCLSCOYPO-BLLLJJGKSA-N 1 0 241.378 3.637 20 0 BHADRO C[C@@H](C[NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000668563925 487939819 /nfs/dbraw/zinc/93/98/19/487939819.db2.gz ZSUOWMLKUKXUBH-AWEZNQCLSA-N 1 0 249.398 3.585 20 0 BHADRO C[C@H](C[NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000668563926 487940032 /nfs/dbraw/zinc/94/00/32/487940032.db2.gz ZSUOWMLKUKXUBH-CQSZACIVSA-N 1 0 249.398 3.585 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000668567990 487948502 /nfs/dbraw/zinc/94/85/02/487948502.db2.gz PUWNPTGKVRMVQH-GDBMZVCRSA-N 1 0 227.351 3.762 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000668567991 487948461 /nfs/dbraw/zinc/94/84/61/487948461.db2.gz PUWNPTGKVRMVQH-GOEBONIOSA-N 1 0 227.351 3.762 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000668569535 487950887 /nfs/dbraw/zinc/95/08/87/487950887.db2.gz ARESQSFWHNBOJC-GFCCVEGCSA-N 1 0 223.335 3.518 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000668569536 487950853 /nfs/dbraw/zinc/95/08/53/487950853.db2.gz ARESQSFWHNBOJC-LBPRGKRZSA-N 1 0 223.335 3.518 20 0 BHADRO CC(C)(F)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000668569576 487950779 /nfs/dbraw/zinc/95/07/79/487950779.db2.gz BTPZXPCECGTFOM-UHFFFAOYSA-N 1 0 243.753 3.610 20 0 BHADRO CC(C)(F)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000668569646 490369202 /nfs/dbraw/zinc/36/92/02/490369202.db2.gz DPABJGXDHBFZID-UHFFFAOYSA-N 1 0 227.367 3.827 20 0 BHADRO CC(C)(F)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000668569664 490369629 /nfs/dbraw/zinc/36/96/29/490369629.db2.gz FDIXRTTZTZNKJF-UHFFFAOYSA-N 1 0 249.373 3.835 20 0 BHADRO CC(C)(F)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000668569687 490369820 /nfs/dbraw/zinc/36/98/20/490369820.db2.gz FQVOXDXGXQYJGZ-KGLIPLIRSA-N 1 0 235.346 3.518 20 0 BHADRO CC(C)(F)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000668569688 490369348 /nfs/dbraw/zinc/36/93/48/490369348.db2.gz FQVOXDXGXQYJGZ-UONOGXRCSA-N 1 0 235.346 3.518 20 0 BHADRO CC(C)(F)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000668569689 490369752 /nfs/dbraw/zinc/36/97/52/490369752.db2.gz FQVOXDXGXQYJGZ-ZIAGYGMSSA-N 1 0 235.346 3.518 20 0 BHADRO C[C@H](CC[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000668570085 487952113 /nfs/dbraw/zinc/95/21/13/487952113.db2.gz OGWNQVPHWKJPNV-CYBMUJFWSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@@H](CC[NH2+]CCC(C)(C)F)c1ccccc1 ZINC000668570086 487952105 /nfs/dbraw/zinc/95/21/05/487952105.db2.gz OGWNQVPHWKJPNV-ZDUSSCGKSA-N 1 0 237.362 3.908 20 0 BHADRO C[C@@H](C[NH2+]CCC(C)(C)F)Cc1ccccc1 ZINC000668570087 487952165 /nfs/dbraw/zinc/95/21/65/487952165.db2.gz OIXMZCBCSJEPID-CYBMUJFWSA-N 1 0 237.362 3.593 20 0 BHADRO C[C@H](C[NH2+]CCC(C)(C)F)Cc1ccccc1 ZINC000668570088 487952080 /nfs/dbraw/zinc/95/20/80/487952080.db2.gz OIXMZCBCSJEPID-ZDUSSCGKSA-N 1 0 237.362 3.593 20 0 BHADRO CC(C)(F)CC[NH2+]CCc1cccc(Cl)c1 ZINC000668570247 487952128 /nfs/dbraw/zinc/95/21/28/487952128.db2.gz RLZDFFARWUQPIM-UHFFFAOYSA-N 1 0 243.753 3.610 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668570590 487952551 /nfs/dbraw/zinc/95/25/51/487952551.db2.gz ZRWJGBPXSKNJTL-GHMZBOCLSA-N 1 0 247.423 3.634 20 0 BHADRO CC(C)(F)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000668570602 487952535 /nfs/dbraw/zinc/95/25/35/487952535.db2.gz ZRWJGBPXSKNJTL-MNOVXSKESA-N 1 0 247.423 3.634 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000668570604 487952560 /nfs/dbraw/zinc/95/25/60/487952560.db2.gz ZRWJGBPXSKNJTL-QWRGUYRKSA-N 1 0 247.423 3.634 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668570605 487952571 /nfs/dbraw/zinc/95/25/71/487952571.db2.gz ZRWJGBPXSKNJTL-WDEREUQCSA-N 1 0 247.423 3.634 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000668579653 487961475 /nfs/dbraw/zinc/96/14/75/487961475.db2.gz BULAGUCOVWHWKL-QPSCCSFWSA-N 1 0 219.372 3.511 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000668579654 487961196 /nfs/dbraw/zinc/96/11/96/487961196.db2.gz BULAGUCOVWHWKL-ZQDZILKHSA-N 1 0 219.372 3.511 20 0 BHADRO C[C@@H](CC[NH2+]CCc1ccoc1)c1ccccc1 ZINC000668579767 487962140 /nfs/dbraw/zinc/96/21/40/487962140.db2.gz AIOSYNLZKYHMFO-AWEZNQCLSA-N 1 0 243.350 3.606 20 0 BHADRO C[C@H](CC[NH2+]CCc1ccoc1)c1ccccc1 ZINC000668579768 487961955 /nfs/dbraw/zinc/96/19/55/487961955.db2.gz AIOSYNLZKYHMFO-CQSZACIVSA-N 1 0 243.350 3.606 20 0 BHADRO c1cc(CC[NH2+]C2CC3(C2)CCCCC3)co1 ZINC000668580197 487961376 /nfs/dbraw/zinc/96/13/76/487961376.db2.gz JUVQGNVXEJQFBD-UHFFFAOYSA-N 1 0 233.355 3.525 20 0 BHADRO C[C@]1(C[NH2+]CCC2CCCCC2)CC1(F)F ZINC000668583094 490381814 /nfs/dbraw/zinc/38/18/14/490381814.db2.gz AYYLKKRKNQGLSR-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@@]1(C[NH2+]CCC2CCCCC2)CC1(F)F ZINC000668583095 490381823 /nfs/dbraw/zinc/38/18/23/490381823.db2.gz AYYLKKRKNQGLSR-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@@H](C[NH2+]CC[C@]1(C)CC1(F)F)C(C)(C)C ZINC000668583140 491128081 /nfs/dbraw/zinc/12/80/81/491128081.db2.gz BVTITCVGPNOVNB-CMPLNLGQSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@@H](C[NH2+]CC[C@@]1(C)CC1(F)F)C(C)(C)C ZINC000668583141 491128050 /nfs/dbraw/zinc/12/80/50/491128050.db2.gz BVTITCVGPNOVNB-JQWIXIFHSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]CC[C@@]1(C)CC1(F)F)C(C)(C)C ZINC000668583142 491128071 /nfs/dbraw/zinc/12/80/71/491128071.db2.gz BVTITCVGPNOVNB-PWSUYJOCSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@H](C[NH2+]CC[C@]1(C)CC1(F)F)C(C)(C)C ZINC000668583143 491128046 /nfs/dbraw/zinc/12/80/46/491128046.db2.gz BVTITCVGPNOVNB-ZYHUDNBSSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000668583448 490381864 /nfs/dbraw/zinc/38/18/64/490381864.db2.gz GXQQQQIIVHTNQQ-NEPJUHHUSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000668583450 490381946 /nfs/dbraw/zinc/38/19/46/490381946.db2.gz GXQQQQIIVHTNQQ-NWDGAFQWSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000668583451 490382157 /nfs/dbraw/zinc/38/21/57/490382157.db2.gz GXQQQQIIVHTNQQ-RYUDHWBXSA-N 1 0 233.346 3.694 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000668583452 490381830 /nfs/dbraw/zinc/38/18/30/490381830.db2.gz GXQQQQIIVHTNQQ-VXGBXAGGSA-N 1 0 233.346 3.694 20 0 BHADRO C[C@]1(C[NH2+]C2CC3(C2)CCCCC3)CC1(F)F ZINC000668583599 487964754 /nfs/dbraw/zinc/96/47/54/487964754.db2.gz IPONWZMJALCYIM-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(C[NH2+]C2CC3(C2)CCCCC3)CC1(F)F ZINC000668583604 487965009 /nfs/dbraw/zinc/96/50/09/487965009.db2.gz IPONWZMJALCYIM-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000668584589 487966704 /nfs/dbraw/zinc/96/67/04/487966704.db2.gz UCTUGYZAZSNIRE-LLVKDONJSA-N 1 0 233.346 3.838 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@]1(C)CC1(F)F ZINC000668584590 487966828 /nfs/dbraw/zinc/96/68/28/487966828.db2.gz UCTUGYZAZSNIRE-NSHDSACASA-N 1 0 233.346 3.838 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000668584659 487965763 /nfs/dbraw/zinc/96/57/63/487965763.db2.gz UYJBNLIWROLXFV-NEPJUHHUSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000668584661 487966235 /nfs/dbraw/zinc/96/62/35/487966235.db2.gz UYJBNLIWROLXFV-NWDGAFQWSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000668584663 487965732 /nfs/dbraw/zinc/96/57/32/487965732.db2.gz UYJBNLIWROLXFV-RYUDHWBXSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000668584665 487966011 /nfs/dbraw/zinc/96/60/11/487966011.db2.gz UYJBNLIWROLXFV-VXGBXAGGSA-N 1 0 229.314 3.510 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000668591569 487975743 /nfs/dbraw/zinc/97/57/43/487975743.db2.gz BSWBSFGRWSPKGZ-GFCCVEGCSA-N 1 0 241.375 3.628 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000668591570 487975680 /nfs/dbraw/zinc/97/56/80/487975680.db2.gz BSWBSFGRWSPKGZ-LBPRGKRZSA-N 1 0 241.375 3.628 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000668591991 487977114 /nfs/dbraw/zinc/97/71/14/487977114.db2.gz GVNKOMQMVRZMAE-GFCCVEGCSA-N 1 0 241.375 3.628 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000668591992 487976531 /nfs/dbraw/zinc/97/65/31/487976531.db2.gz GVNKOMQMVRZMAE-LBPRGKRZSA-N 1 0 241.375 3.628 20 0 BHADRO FCC[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000668592163 487976954 /nfs/dbraw/zinc/97/69/54/487976954.db2.gz IMSJHSZKIRIQPO-JTQLQIEISA-N 1 0 245.725 3.505 20 0 BHADRO FCC[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000668592164 487976869 /nfs/dbraw/zinc/97/68/69/487976869.db2.gz IMSJHSZKIRIQPO-SNVBAGLBSA-N 1 0 245.725 3.505 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)s1 ZINC000668593069 487979227 /nfs/dbraw/zinc/97/92/27/487979227.db2.gz QLGGXTDYJHTMDE-GFCCVEGCSA-N 1 0 241.375 3.628 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)s1 ZINC000668593070 487979201 /nfs/dbraw/zinc/97/92/01/487979201.db2.gz QLGGXTDYJHTMDE-LBPRGKRZSA-N 1 0 241.375 3.628 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000668608635 488000928 /nfs/dbraw/zinc/00/09/28/488000928.db2.gz RWVSVXZWITYUSK-AGIUHOORSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000668608643 488000965 /nfs/dbraw/zinc/00/09/65/488000965.db2.gz RWVSVXZWITYUSK-AVGNSLFASA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000668608644 488001370 /nfs/dbraw/zinc/00/13/70/488001370.db2.gz RWVSVXZWITYUSK-FRRDWIJNSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000668608645 488000906 /nfs/dbraw/zinc/00/09/06/488000906.db2.gz RWVSVXZWITYUSK-RWMBFGLXSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@](C)([NH2+][C@H](C)Cc1ccsc1)C1CC1 ZINC000668612464 488006376 /nfs/dbraw/zinc/00/63/76/488006376.db2.gz VBNVUAMAHUPEBN-BXUZGUMPSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@](C)([NH2+][C@@H](C)Cc1ccsc1)C1CC1 ZINC000668612465 488006364 /nfs/dbraw/zinc/00/63/64/488006364.db2.gz VBNVUAMAHUPEBN-FZMZJTMJSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@](C)([NH2+][C@H](C)Cc1ccsc1)C1CC1 ZINC000668612466 488006420 /nfs/dbraw/zinc/00/64/20/488006420.db2.gz VBNVUAMAHUPEBN-RISCZKNCSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@@](C)([NH2+][C@@H](C)Cc1ccsc1)C1CC1 ZINC000668612467 488006319 /nfs/dbraw/zinc/00/63/19/488006319.db2.gz VBNVUAMAHUPEBN-SMDDNHRTSA-N 1 0 237.412 3.847 20 0 BHADRO CC[C@](C)([NH2+]Cc1cc(C)c(O)c(C)c1)C1CC1 ZINC000668612518 488005740 /nfs/dbraw/zinc/00/57/40/488005740.db2.gz VZYOJBISCMZIOC-INIZCTEOSA-N 1 0 247.382 3.677 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cc(C)c(O)c(C)c1)C1CC1 ZINC000668612519 488005314 /nfs/dbraw/zinc/00/53/14/488005314.db2.gz VZYOJBISCMZIOC-MRXNPFEDSA-N 1 0 247.382 3.677 20 0 BHADRO c1ccc([C@H]2CC[C@H]2[NH2+]C2CC3(CCC3)C2)cc1 ZINC000668630723 488029298 /nfs/dbraw/zinc/02/92/98/488029298.db2.gz GUQOFWFTLFCZJZ-HZPDHXFCSA-N 1 0 241.378 3.855 20 0 BHADRO CC(C)(C)CC[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000668635005 488034609 /nfs/dbraw/zinc/03/46/09/488034609.db2.gz UNENALAFKURKBO-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CCC(F)(F)CC1 ZINC000668667778 488085630 /nfs/dbraw/zinc/08/56/30/488085630.db2.gz HBGNSUDVJUWQRJ-FOUMNBMASA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CCC(F)(F)CC1 ZINC000668667779 488085663 /nfs/dbraw/zinc/08/56/63/488085663.db2.gz HBGNSUDVJUWQRJ-FTYKPCCVSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CCC(F)(F)CC1 ZINC000668667780 488085633 /nfs/dbraw/zinc/08/56/33/488085633.db2.gz HBGNSUDVJUWQRJ-SYEHKZFSSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CCC(F)(F)CC1 ZINC000668667781 488085711 /nfs/dbraw/zinc/08/57/11/488085711.db2.gz HBGNSUDVJUWQRJ-XEZLXBQYSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668668665 488086900 /nfs/dbraw/zinc/08/69/00/488086900.db2.gz ARNFBHIIZACPIC-BQDHKBFISA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668668666 488086516 /nfs/dbraw/zinc/08/65/16/488086516.db2.gz ARNFBHIIZACPIC-DANNLKNASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668668667 488086904 /nfs/dbraw/zinc/08/69/04/488086904.db2.gz ARNFBHIIZACPIC-FWYOQMDTSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668668668 488086885 /nfs/dbraw/zinc/08/68/85/488086885.db2.gz ARNFBHIIZACPIC-KSYCFECVSA-N 1 0 247.357 3.535 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668802 488086950 /nfs/dbraw/zinc/08/69/50/488086950.db2.gz DCJBEGBXFFMGKN-LLLHUVSDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668803 488086804 /nfs/dbraw/zinc/08/68/04/488086804.db2.gz DCJBEGBXFFMGKN-MXASKKJJSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668804 488086797 /nfs/dbraw/zinc/08/67/97/488086797.db2.gz DCJBEGBXFFMGKN-QMCVQRASSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668805 488086430 /nfs/dbraw/zinc/08/64/30/488086430.db2.gz DCJBEGBXFFMGKN-SIXLDLHFSA-N 1 0 243.394 3.704 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668668882 488086700 /nfs/dbraw/zinc/08/67/00/488086700.db2.gz FQFBKOODISHDFQ-FQUUOJAGSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668668883 488086649 /nfs/dbraw/zinc/08/66/49/488086649.db2.gz FQFBKOODISHDFQ-YIYPIFLZSA-N 1 0 207.361 3.509 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668949 488086859 /nfs/dbraw/zinc/08/68/59/488086859.db2.gz HIEHLFVBLAAIOE-FIDHJVLJSA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668950 488086437 /nfs/dbraw/zinc/08/64/37/488086437.db2.gz HIEHLFVBLAAIOE-KSWRQPAISA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668951 488086456 /nfs/dbraw/zinc/08/64/56/488086456.db2.gz HIEHLFVBLAAIOE-SIRPWMCASA-N 1 0 241.378 3.711 20 0 BHADRO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000668668952 488086879 /nfs/dbraw/zinc/08/68/79/488086879.db2.gz HIEHLFVBLAAIOE-ZOFXXKQRSA-N 1 0 241.378 3.711 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000668668969 488086536 /nfs/dbraw/zinc/08/65/36/488086536.db2.gz HTZODIJQMZCHAK-LLLHUVSDSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000668668970 488086626 /nfs/dbraw/zinc/08/66/26/488086626.db2.gz HTZODIJQMZCHAK-MXASKKJJSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000668668971 488086470 /nfs/dbraw/zinc/08/64/70/488086470.db2.gz HTZODIJQMZCHAK-QMCVQRASSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000668668972 488086771 /nfs/dbraw/zinc/08/67/71/488086771.db2.gz HTZODIJQMZCHAK-SIXLDLHFSA-N 1 0 243.394 3.704 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669085 488087932 /nfs/dbraw/zinc/08/79/32/488087932.db2.gz KMFGBMDGYVYAIQ-AMSCCUFHSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H](C)c1ccccc1 ZINC000668669086 488087708 /nfs/dbraw/zinc/08/77/08/488087708.db2.gz KMFGBMDGYVYAIQ-CQOGHXNDSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668669087 488087901 /nfs/dbraw/zinc/08/79/01/488087901.db2.gz KMFGBMDGYVYAIQ-RHMLRGBNSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H](C)c1ccccc1 ZINC000668669088 488087302 /nfs/dbraw/zinc/08/73/02/488087302.db2.gz KMFGBMDGYVYAIQ-XHXGSEDSSA-N 1 0 229.367 3.567 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669105 488087925 /nfs/dbraw/zinc/08/79/25/488087925.db2.gz KWWZWGBSQPBKOO-BOXKHOIUSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccc(C2CC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669106 488087839 /nfs/dbraw/zinc/08/78/39/488087839.db2.gz KWWZWGBSQPBKOO-NDQLQDMOSA-N 1 0 241.378 3.629 20 0 BHADRO C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669198 488088480 /nfs/dbraw/zinc/08/84/80/488088480.db2.gz OCQITJKCGQSTFF-CNXAATOLSA-N 1 0 241.334 3.882 20 0 BHADRO C[C@@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669199 488088414 /nfs/dbraw/zinc/08/84/14/488088414.db2.gz OCQITJKCGQSTFF-KBNOKHGBSA-N 1 0 241.334 3.882 20 0 BHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669200 488088438 /nfs/dbraw/zinc/08/84/38/488088438.db2.gz OCQITJKCGQSTFF-VFFTVRQLSA-N 1 0 241.334 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669201 488088460 /nfs/dbraw/zinc/08/84/60/488088460.db2.gz OCQITJKCGQSTFF-YGSHXTJESA-N 1 0 241.334 3.882 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000668669202 488088405 /nfs/dbraw/zinc/08/84/05/488088405.db2.gz OEJRHKINLVMZOZ-QUZOXXGXSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1C1CC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000668669203 488088491 /nfs/dbraw/zinc/08/84/91/488088491.db2.gz OEJRHKINLVMZOZ-YTNKCCKRSA-N 1 0 241.378 3.629 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669262 488087308 /nfs/dbraw/zinc/08/73/08/488087308.db2.gz PMLQELRJRKGYRZ-BQDHKBFISA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668669263 488087602 /nfs/dbraw/zinc/08/76/02/488087602.db2.gz PMLQELRJRKGYRZ-DANNLKNASA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668669264 488087347 /nfs/dbraw/zinc/08/73/47/488087347.db2.gz PMLQELRJRKGYRZ-FWYOQMDTSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669265 488087368 /nfs/dbraw/zinc/08/73/68/488087368.db2.gz PMLQELRJRKGYRZ-KSYCFECVSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CC[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000668669341 488087201 /nfs/dbraw/zinc/08/72/01/488087201.db2.gz RBVNCPDZXAAKLV-ARLBYUKCSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000668669342 488087447 /nfs/dbraw/zinc/08/74/47/488087447.db2.gz RBVNCPDZXAAKLV-DMRZNYOFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H](CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000668669343 488087194 /nfs/dbraw/zinc/08/71/94/488087194.db2.gz RBVNCPDZXAAKLV-HNKHHVNMSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](CC[NH2+][C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000668669344 488087374 /nfs/dbraw/zinc/08/73/74/488087374.db2.gz RBVNCPDZXAAKLV-OJLVUWQFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669426 490495593 /nfs/dbraw/zinc/49/55/93/490495593.db2.gz STZQIUHOPLWJBV-OEYIWLLWSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668669427 490495624 /nfs/dbraw/zinc/49/56/24/490495624.db2.gz STZQIUHOPLWJBV-UYHMYPTGSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668669428 490495720 /nfs/dbraw/zinc/49/57/20/490495720.db2.gz STZQIUHOPLWJBV-YYWXWVFPSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669429 490495800 /nfs/dbraw/zinc/49/58/00/490495800.db2.gz STZQIUHOPLWJBV-ZIEJDFEHSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1c1ccccc1 ZINC000668669547 488088434 /nfs/dbraw/zinc/08/84/34/488088434.db2.gz WBOJMBQHPXFZEJ-ABYAABTBSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1c1ccccc1 ZINC000668669548 490497148 /nfs/dbraw/zinc/49/71/48/490497148.db2.gz WBOJMBQHPXFZEJ-CEMYWYHPSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[C@H]1c1ccccc1 ZINC000668669549 490496676 /nfs/dbraw/zinc/49/66/76/490496676.db2.gz WBOJMBQHPXFZEJ-LHBGSCNNSA-N 1 0 241.378 3.567 20 0 BHADRO C[C@@H]1[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1c1ccccc1 ZINC000668669550 490496654 /nfs/dbraw/zinc/49/66/54/490496654.db2.gz WBOJMBQHPXFZEJ-SBDQITGQSA-N 1 0 241.378 3.567 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668677132 488100606 /nfs/dbraw/zinc/10/06/06/488100606.db2.gz JUGQKGBYVUZESO-CHWSQXEVSA-N 1 0 241.334 3.583 20 0 BHADRO Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000668677135 488100778 /nfs/dbraw/zinc/10/07/78/488100778.db2.gz JUGQKGBYVUZESO-STQMWFEESA-N 1 0 241.334 3.583 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1C(C)(C)C1(F)F)C(C)(C)C ZINC000668679207 488106466 /nfs/dbraw/zinc/10/64/66/488106466.db2.gz CFTYOCAQMCLFAG-NXEZZACHSA-N 1 0 233.346 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1C(C)(C)C1(F)F)C(C)(C)C ZINC000668679208 488106507 /nfs/dbraw/zinc/10/65/07/488106507.db2.gz CFTYOCAQMCLFAG-UWVGGRQHSA-N 1 0 233.346 3.550 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1C(C)(C)C1(F)F)C(C)(C)C ZINC000668679209 488106460 /nfs/dbraw/zinc/10/64/60/488106460.db2.gz CFTYOCAQMCLFAG-VHSXEESVSA-N 1 0 233.346 3.550 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1C(C)(C)C1(F)F)C(C)(C)C ZINC000668679210 488106430 /nfs/dbraw/zinc/10/64/30/488106430.db2.gz CFTYOCAQMCLFAG-ZJUUUORDSA-N 1 0 233.346 3.550 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000668683211 488112341 /nfs/dbraw/zinc/11/23/41/488112341.db2.gz GHMBSAOCVLMPHT-CVEARBPZSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000668683212 488112445 /nfs/dbraw/zinc/11/24/45/488112445.db2.gz GHMBSAOCVLMPHT-HOTGVXAUSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000668683213 488112155 /nfs/dbraw/zinc/11/21/55/488112155.db2.gz GHMBSAOCVLMPHT-HZPDHXFCSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000668683214 488112137 /nfs/dbraw/zinc/11/21/37/488112137.db2.gz GHMBSAOCVLMPHT-JKSUJKDBSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CCC1 ZINC000668684994 488114045 /nfs/dbraw/zinc/11/40/45/488114045.db2.gz BVLDYMHFHDBGLP-BCVKRFQSSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C1CCC1 ZINC000668684997 488113984 /nfs/dbraw/zinc/11/39/84/488113984.db2.gz BVLDYMHFHDBGLP-IENTYSSBSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CCC1 ZINC000668684998 488113941 /nfs/dbraw/zinc/11/39/41/488113941.db2.gz BVLDYMHFHDBGLP-UJLSLHKQSA-N 1 0 227.367 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C1CCC(F)CC1 ZINC000668684999 488113900 /nfs/dbraw/zinc/11/39/00/488113900.db2.gz BVLDYMHFHDBGLP-YWBBTBBSSA-N 1 0 227.367 3.681 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000668685616 488113894 /nfs/dbraw/zinc/11/38/94/488113894.db2.gz RTTQWWAPDLDPKU-PPWQZUPISA-N 1 0 239.378 3.992 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000668685617 488114006 /nfs/dbraw/zinc/11/40/06/488114006.db2.gz RTTQWWAPDLDPKU-URGYJCLVSA-N 1 0 239.378 3.992 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000668685618 488114139 /nfs/dbraw/zinc/11/41/39/488114139.db2.gz RTTQWWAPDLDPKU-VXGQWTEUSA-N 1 0 239.378 3.992 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000668685619 488114812 /nfs/dbraw/zinc/11/48/12/488114812.db2.gz RTTQWWAPDLDPKU-XSCHDIRWSA-N 1 0 239.378 3.992 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000668685841 488114553 /nfs/dbraw/zinc/11/45/53/488114553.db2.gz VXTNMWZYXCUPEC-UNXYVOJBSA-N 1 0 215.356 3.681 20 0 BHADRO CCC(CC)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000668685842 488114522 /nfs/dbraw/zinc/11/45/22/488114522.db2.gz VXTNMWZYXCUPEC-VOMCLLRMSA-N 1 0 215.356 3.681 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)C1CCC(F)CC1 ZINC000668685898 488115281 /nfs/dbraw/zinc/11/52/81/488115281.db2.gz WVFSWQYTIPHXLV-HIFPTAJRSA-N 1 0 239.378 3.826 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)C1CCC(F)CC1 ZINC000668685900 488115278 /nfs/dbraw/zinc/11/52/78/488115278.db2.gz WVFSWQYTIPHXLV-PNESKVBLSA-N 1 0 239.378 3.826 20 0 BHADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2=CCCC2)CS1 ZINC000668689789 488118692 /nfs/dbraw/zinc/11/86/92/488118692.db2.gz GDYUVHIUUWSPSE-CHWSQXEVSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)CS1 ZINC000668689790 488118757 /nfs/dbraw/zinc/11/87/57/488118757.db2.gz GDYUVHIUUWSPSE-OLZOCXBDSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2=CCCC2)CS1 ZINC000668689791 488118807 /nfs/dbraw/zinc/11/88/07/488118807.db2.gz GDYUVHIUUWSPSE-QWHCGFSZSA-N 1 0 239.428 3.607 20 0 BHADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2=CCCC2)CS1 ZINC000668689792 488118633 /nfs/dbraw/zinc/11/86/33/488118633.db2.gz GDYUVHIUUWSPSE-STQMWFEESA-N 1 0 239.428 3.607 20 0 BHADRO C1=C(C[NH2+]CCCCOc2ccccc2)CCC1 ZINC000668689884 488119475 /nfs/dbraw/zinc/11/94/75/488119475.db2.gz GHDUWDFSMXDMFE-UHFFFAOYSA-N 1 0 245.366 3.546 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C1CC1 ZINC000668694740 488124007 /nfs/dbraw/zinc/12/40/07/488124007.db2.gz AHFQXDJFYGPVBZ-HZSPNIEDSA-N 1 0 241.444 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C1CC1 ZINC000668694743 488123849 /nfs/dbraw/zinc/12/38/49/488123849.db2.gz AHFQXDJFYGPVBZ-IHRRRGAJSA-N 1 0 241.444 3.541 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C1CC1 ZINC000668694745 488123934 /nfs/dbraw/zinc/12/39/34/488123934.db2.gz AHFQXDJFYGPVBZ-MELADBBJSA-N 1 0 241.444 3.541 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C1CC1 ZINC000668694747 488124055 /nfs/dbraw/zinc/12/40/55/488124055.db2.gz AHFQXDJFYGPVBZ-RDBSUJKOSA-N 1 0 241.444 3.541 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000668694822 488124297 /nfs/dbraw/zinc/12/42/97/488124297.db2.gz CILRJTYYRXHFEB-KBPBESRZSA-N 1 0 207.361 3.509 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000668694823 488124541 /nfs/dbraw/zinc/12/45/41/488124541.db2.gz CILRJTYYRXHFEB-KGLIPLIRSA-N 1 0 207.361 3.509 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000668694824 488125160 /nfs/dbraw/zinc/12/51/60/488125160.db2.gz CILRJTYYRXHFEB-UONOGXRCSA-N 1 0 207.361 3.509 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000668694825 488124808 /nfs/dbraw/zinc/12/48/08/488124808.db2.gz CILRJTYYRXHFEB-ZIAGYGMSSA-N 1 0 207.361 3.509 20 0 BHADRO CC(C)(C)CC[NH2+]C(C)(C1CC1)C1CC1 ZINC000668697041 488125574 /nfs/dbraw/zinc/12/55/74/488125574.db2.gz VNZPSFUCSNMQFS-UHFFFAOYSA-N 1 0 209.377 3.591 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C1CC1)C1CC1 ZINC000668697463 488127946 /nfs/dbraw/zinc/12/79/46/488127946.db2.gz XZUBKEZKBYVTFB-LLVKDONJSA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C1CC1)C1CC1 ZINC000668697464 488127809 /nfs/dbraw/zinc/12/78/09/488127809.db2.gz XZUBKEZKBYVTFB-NSHDSACASA-N 1 0 249.423 3.847 20 0 BHADRO C[C@@H](C[NH2+]CCCc1ccco1)c1ccccc1 ZINC000668730575 488172842 /nfs/dbraw/zinc/17/28/42/488172842.db2.gz PBDXWDFVJKBCRI-AWEZNQCLSA-N 1 0 243.350 3.606 20 0 BHADRO C[C@H](C[NH2+]CCCc1ccco1)c1ccccc1 ZINC000668730576 488172953 /nfs/dbraw/zinc/17/29/53/488172953.db2.gz PBDXWDFVJKBCRI-CQSZACIVSA-N 1 0 243.350 3.606 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H]1CCOC1(C)C ZINC000668746103 488206415 /nfs/dbraw/zinc/20/64/15/488206415.db2.gz WNGDTXSFNUBDFW-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000668746105 488206063 /nfs/dbraw/zinc/20/60/63/488206063.db2.gz WNGDTXSFNUBDFW-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)C(F)(F)C[NH2+]C1CC2(CCC2)C1 ZINC000668747114 487471359 /nfs/dbraw/zinc/47/13/59/487471359.db2.gz BUAUKHPATFYROS-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(F)(F)C(C)(C)C)CC1 ZINC000668747339 487473248 /nfs/dbraw/zinc/47/32/48/487473248.db2.gz FNYJPKHWFRCBGV-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)CC1 ZINC000668747346 487473356 /nfs/dbraw/zinc/47/33/56/487473356.db2.gz FNYJPKHWFRCBGV-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO COc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1C ZINC000668764057 487503518 /nfs/dbraw/zinc/50/35/18/487503518.db2.gz LBQSYOFDHVQNCQ-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO COc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1C ZINC000668764058 487503473 /nfs/dbraw/zinc/50/34/73/487503473.db2.gz LBQSYOFDHVQNCQ-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)C(C[N@H+](C)CC1=CCSC1)C(C)C ZINC000668775318 487520985 /nfs/dbraw/zinc/52/09/85/487520985.db2.gz STEBYJUXIHWYLR-UHFFFAOYSA-N 1 0 241.444 3.520 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000668828490 487614271 /nfs/dbraw/zinc/61/42/71/487614271.db2.gz BNCNLOQWKSOLKS-OUAUKWLOSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC(F)(F)F ZINC000668828492 487614996 /nfs/dbraw/zinc/61/49/96/487614996.db2.gz BNCNLOQWKSOLKS-VWYCJHECSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C)CC[NH2+]CC(C)(C)CC(F)(F)F ZINC000668829563 487616596 /nfs/dbraw/zinc/61/65/96/487616596.db2.gz UNGUODLECHSRLI-UHFFFAOYSA-N 1 0 239.325 3.991 20 0 BHADRO CC(C)(C[NH2+]C1CC2(CCC2)C1)CC(F)(F)F ZINC000668829794 487617146 /nfs/dbraw/zinc/61/71/46/487617146.db2.gz XKTRVFSVCSQFSA-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000669417966 487804257 /nfs/dbraw/zinc/80/42/57/487804257.db2.gz CBRKXYABJIJBGC-AUZPSNTRSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417967 487804334 /nfs/dbraw/zinc/80/43/34/487804334.db2.gz CBRKXYABJIJBGC-MHDGFBEUSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000669417968 487804250 /nfs/dbraw/zinc/80/42/50/487804250.db2.gz CBRKXYABJIJBGC-UVLXDEKHSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000669417969 487804241 /nfs/dbraw/zinc/80/42/41/487804241.db2.gz CBRKXYABJIJBGC-UZGDPCLZSA-N 1 0 249.423 3.876 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419382 487808825 /nfs/dbraw/zinc/80/88/25/487808825.db2.gz OTRZMMRGAFYRJU-KGYLQXTDSA-N 1 0 233.380 3.548 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419383 487808835 /nfs/dbraw/zinc/80/88/35/487808835.db2.gz OTRZMMRGAFYRJU-WCFLWFBJSA-N 1 0 233.380 3.548 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669422025 487811952 /nfs/dbraw/zinc/81/19/52/487811952.db2.gz HUVQIWLNPMPOSA-GRYCIOLGSA-N 1 0 235.396 3.772 20 0 BHADRO C[C@H]([NH2+]C1(C)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669422026 487811980 /nfs/dbraw/zinc/81/19/80/487811980.db2.gz HUVQIWLNPMPOSA-SDDRHHMPSA-N 1 0 235.396 3.772 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000669613008 487815064 /nfs/dbraw/zinc/81/50/64/487815064.db2.gz MMTGNBBVPVRQJV-DOMZBBRYSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000669613009 487815112 /nfs/dbraw/zinc/81/51/12/487815112.db2.gz MMTGNBBVPVRQJV-IUODEOHRSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000669613010 487815076 /nfs/dbraw/zinc/81/50/76/487815076.db2.gz MMTGNBBVPVRQJV-SWLSCSKDSA-N 1 0 247.382 3.851 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000669613011 487814982 /nfs/dbraw/zinc/81/49/82/487814982.db2.gz MMTGNBBVPVRQJV-WFASDCNBSA-N 1 0 247.382 3.851 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)COC(C)C)C1CCCCC1 ZINC000669681251 487645058 /nfs/dbraw/zinc/64/50/58/487645058.db2.gz DWUOSPRFNLYYPJ-DZGCQCFKSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H](C)COC(C)C)C1CCCCC1 ZINC000669681252 487645017 /nfs/dbraw/zinc/64/50/17/487645017.db2.gz DWUOSPRFNLYYPJ-HIFRSBDPSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)COC(C)C)C1CCCCC1 ZINC000669681253 487645576 /nfs/dbraw/zinc/64/55/76/487645576.db2.gz DWUOSPRFNLYYPJ-UKRRQHHQSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)COC(C)C)C1CCCCC1 ZINC000669681254 487645561 /nfs/dbraw/zinc/64/55/61/487645561.db2.gz DWUOSPRFNLYYPJ-ZFWWWQNUSA-N 1 0 241.419 3.748 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C1CCC1 ZINC000669683784 487647476 /nfs/dbraw/zinc/64/74/76/487647476.db2.gz CNFNAAKDEGGBEX-CMPYXILNSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C1CCC1 ZINC000669683785 487647241 /nfs/dbraw/zinc/64/72/41/487647241.db2.gz CNFNAAKDEGGBEX-FZDNWWAKSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H](C)C1CCC1 ZINC000669683786 487647304 /nfs/dbraw/zinc/64/73/04/487647304.db2.gz CNFNAAKDEGGBEX-YBEMTRGBSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)C1CCC1 ZINC000669683787 487647415 /nfs/dbraw/zinc/64/74/15/487647415.db2.gz CNFNAAKDEGGBEX-YPDDLIOESA-N 1 0 229.367 3.868 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000669690428 487658236 /nfs/dbraw/zinc/65/82/36/487658236.db2.gz MMVHBPNDCZBPLP-BXUZGUMPSA-N 1 0 221.319 3.761 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000669690429 487658764 /nfs/dbraw/zinc/65/87/64/487658764.db2.gz MMVHBPNDCZBPLP-FZMZJTMJSA-N 1 0 221.319 3.761 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000669690430 487658633 /nfs/dbraw/zinc/65/86/33/487658633.db2.gz MMVHBPNDCZBPLP-RISCZKNCSA-N 1 0 221.319 3.761 20 0 BHADRO CCC[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000669690431 487658263 /nfs/dbraw/zinc/65/82/63/487658263.db2.gz MMVHBPNDCZBPLP-SMDDNHRTSA-N 1 0 221.319 3.761 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000669698034 487693462 /nfs/dbraw/zinc/69/34/62/487693462.db2.gz OSTARTIPRUHBOF-DZKIICNBSA-N 1 0 246.398 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000669698035 487693606 /nfs/dbraw/zinc/69/36/06/487693606.db2.gz OSTARTIPRUHBOF-LZWOXQAQSA-N 1 0 246.398 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000669698036 487692955 /nfs/dbraw/zinc/69/29/55/487692955.db2.gz OSTARTIPRUHBOF-OFQRWUPVSA-N 1 0 246.398 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000669698037 487693051 /nfs/dbraw/zinc/69/30/51/487693051.db2.gz OSTARTIPRUHBOF-SQWLQELKSA-N 1 0 246.398 3.886 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000669698038 487693274 /nfs/dbraw/zinc/69/32/74/487693274.db2.gz YVJZSXCHSYNLQA-CHWSQXEVSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000669698039 487693096 /nfs/dbraw/zinc/69/30/96/487693096.db2.gz YVJZSXCHSYNLQA-OLZOCXBDSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000669698040 487693252 /nfs/dbraw/zinc/69/32/52/487693252.db2.gz YVJZSXCHSYNLQA-QWHCGFSZSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000669698041 487693660 /nfs/dbraw/zinc/69/36/60/487693660.db2.gz YVJZSXCHSYNLQA-STQMWFEESA-N 1 0 249.402 3.837 20 0 BHADRO Cc1ccccc1[C@]1(F)CC[N@@H+](C2CCCC2)C1 ZINC000669698253 487693152 /nfs/dbraw/zinc/69/31/52/487693152.db2.gz BOFKDWBPIVYUCG-INIZCTEOSA-N 1 0 247.357 3.808 20 0 BHADRO Cc1ccccc1[C@@]1(F)CC[N@@H+](C2CCCC2)C1 ZINC000669698254 487693129 /nfs/dbraw/zinc/69/31/29/487693129.db2.gz BOFKDWBPIVYUCG-MRXNPFEDSA-N 1 0 247.357 3.808 20 0 BHADRO c1ccc(CCCC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000669698272 487693233 /nfs/dbraw/zinc/69/32/33/487693233.db2.gz FSSLWTPNMNASEM-INIZCTEOSA-N 1 0 243.394 3.932 20 0 BHADRO c1ccc(CCCC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000669698273 487693268 /nfs/dbraw/zinc/69/32/68/487693268.db2.gz FSSLWTPNMNASEM-MRXNPFEDSA-N 1 0 243.394 3.932 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccccn1 ZINC000669699488 487695286 /nfs/dbraw/zinc/69/52/86/487695286.db2.gz PMCKZJFRFUPMQZ-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC12CCC2)c1ccccn1 ZINC000669699489 487695838 /nfs/dbraw/zinc/69/58/38/487695838.db2.gz PMCKZJFRFUPMQZ-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccccn1 ZINC000669699490 487695681 /nfs/dbraw/zinc/69/56/81/487695681.db2.gz PMCKZJFRFUPMQZ-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccccn1 ZINC000669699491 487695361 /nfs/dbraw/zinc/69/53/61/487695361.db2.gz PMCKZJFRFUPMQZ-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000669700944 487697856 /nfs/dbraw/zinc/69/78/56/487697856.db2.gz DVGRIFYHMKIKST-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000669700945 487697638 /nfs/dbraw/zinc/69/76/38/487697638.db2.gz DVGRIFYHMKIKST-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000669700946 487697877 /nfs/dbraw/zinc/69/78/77/487697877.db2.gz DVGRIFYHMKIKST-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000669700947 487697832 /nfs/dbraw/zinc/69/78/32/487697832.db2.gz DVGRIFYHMKIKST-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)oc1C ZINC000669702951 487700070 /nfs/dbraw/zinc/70/00/70/487700070.db2.gz JXOPWMOUNZUNSJ-GXSJLCMTSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)oc1C ZINC000669702952 487699916 /nfs/dbraw/zinc/69/99/16/487699916.db2.gz JXOPWMOUNZUNSJ-KOLCDFICSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)oc1C ZINC000669702953 487699907 /nfs/dbraw/zinc/69/99/07/487699907.db2.gz JXOPWMOUNZUNSJ-MWLCHTKSSA-N 1 0 243.297 3.735 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)oc1C ZINC000669702954 487700017 /nfs/dbraw/zinc/70/00/17/487700017.db2.gz JXOPWMOUNZUNSJ-ONGXEEELSA-N 1 0 243.297 3.735 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000669704638 487702172 /nfs/dbraw/zinc/70/21/72/487702172.db2.gz UBLIUTDSFPWACS-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000669704639 487702303 /nfs/dbraw/zinc/70/23/03/487702303.db2.gz UBLIUTDSFPWACS-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000669704640 487702314 /nfs/dbraw/zinc/70/23/14/487702314.db2.gz UBLIUTDSFPWACS-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000669704641 487702187 /nfs/dbraw/zinc/70/21/87/487702187.db2.gz UBLIUTDSFPWACS-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000669705745 487704003 /nfs/dbraw/zinc/70/40/03/487704003.db2.gz FITPFDIFVMPPIL-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000669705746 487704447 /nfs/dbraw/zinc/70/44/47/487704447.db2.gz FITPFDIFVMPPIL-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000669831317 487867655 /nfs/dbraw/zinc/86/76/55/487867655.db2.gz KONBYUQEIYVUFK-ARFHVFGLSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000669831318 487867591 /nfs/dbraw/zinc/86/75/91/487867591.db2.gz KONBYUQEIYVUFK-XHSDSOJGSA-N 1 0 229.367 3.582 20 0 BHADRO c1ccc(CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000669846467 487879053 /nfs/dbraw/zinc/87/90/53/487879053.db2.gz BLJQMAFBQJKRIF-BBWFWOEESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000669846468 487879158 /nfs/dbraw/zinc/87/91/58/487879158.db2.gz BLJQMAFBQJKRIF-GVDBMIGSSA-N 1 0 243.394 3.788 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000669846921 487880193 /nfs/dbraw/zinc/88/01/93/487880193.db2.gz YMEVCEXODWNIJF-GXTWGEPZSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000669846922 487880614 /nfs/dbraw/zinc/88/06/14/487880614.db2.gz YMEVCEXODWNIJF-JSGCOSHPSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000669846923 487880112 /nfs/dbraw/zinc/88/01/12/487880112.db2.gz YMEVCEXODWNIJF-OCCSQVGLSA-N 1 0 239.334 3.596 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000669846924 487880167 /nfs/dbraw/zinc/88/01/67/487880167.db2.gz YMEVCEXODWNIJF-TZMCWYRMSA-N 1 0 239.334 3.596 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccn1 ZINC000669847047 487880609 /nfs/dbraw/zinc/88/06/09/487880609.db2.gz FOGULLYUCQMTFQ-DSJMHWKBSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccn1 ZINC000669847048 487880485 /nfs/dbraw/zinc/88/04/85/487880485.db2.gz FOGULLYUCQMTFQ-FQLMCAECSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccn1 ZINC000669847049 487880009 /nfs/dbraw/zinc/88/00/09/487880009.db2.gz FOGULLYUCQMTFQ-KNCOVGOOSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccn1 ZINC000669847050 487880379 /nfs/dbraw/zinc/88/03/79/487880379.db2.gz FOGULLYUCQMTFQ-NHIYQJMISA-N 1 0 244.382 3.701 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000669847358 487881351 /nfs/dbraw/zinc/88/13/51/487881351.db2.gz VOWYMQGIPFWWBK-CUOATXAZSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000669847359 487881609 /nfs/dbraw/zinc/88/16/09/487881609.db2.gz VOWYMQGIPFWWBK-FZZIBODNSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000669847360 487881095 /nfs/dbraw/zinc/88/10/95/487881095.db2.gz VOWYMQGIPFWWBK-HERUPUMHSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000669847361 487881651 /nfs/dbraw/zinc/88/16/51/487881651.db2.gz VOWYMQGIPFWWBK-QCZZGDTMSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000669847908 487882975 /nfs/dbraw/zinc/88/29/75/487882975.db2.gz NZIQCUOUPLXJKC-BJJXKVORSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000669847909 487882937 /nfs/dbraw/zinc/88/29/37/487882937.db2.gz NZIQCUOUPLXJKC-DUVNUKRYSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000669847910 487883017 /nfs/dbraw/zinc/88/30/17/487883017.db2.gz NZIQCUOUPLXJKC-JGGQBBKZSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000669847911 487882334 /nfs/dbraw/zinc/88/23/34/487882334.db2.gz NZIQCUOUPLXJKC-NOLJZWGESA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000669848030 487882861 /nfs/dbraw/zinc/88/28/61/487882861.db2.gz DSSQPQOAWGMEJU-ORQFMDKSSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000669848031 487882739 /nfs/dbraw/zinc/88/27/39/487882739.db2.gz DSSQPQOAWGMEJU-PQEBFOHHSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000669848032 487882475 /nfs/dbraw/zinc/88/24/75/487882475.db2.gz DSSQPQOAWGMEJU-RKTXRCNFSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000669848033 487882934 /nfs/dbraw/zinc/88/29/34/487882934.db2.gz DSSQPQOAWGMEJU-SVGFKBNWSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC000669848261 487882347 /nfs/dbraw/zinc/88/23/47/487882347.db2.gz ZMYQBVCWLLAOBD-UJDVCPFMSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC000669848262 487882616 /nfs/dbraw/zinc/88/26/16/487882616.db2.gz ZMYQBVCWLLAOBD-UZMCECQYSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC000669848263 487882557 /nfs/dbraw/zinc/88/25/57/487882557.db2.gz ZMYQBVCWLLAOBD-YYWXWVFPSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC000669848264 487882321 /nfs/dbraw/zinc/88/23/21/487882321.db2.gz ZMYQBVCWLLAOBD-ZIEJDFEHSA-N 1 0 247.357 3.973 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000669848964 487883958 /nfs/dbraw/zinc/88/39/58/487883958.db2.gz SHKVEBOUQDAKOD-QJPTWQEYSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000669848965 487884053 /nfs/dbraw/zinc/88/40/53/487884053.db2.gz SHKVEBOUQDAKOD-SDDRHHMPSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000669848966 487883757 /nfs/dbraw/zinc/88/37/57/487883757.db2.gz SHKVEBOUQDAKOD-SRVKXCTJSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000669848967 487884080 /nfs/dbraw/zinc/88/40/80/487884080.db2.gz SHKVEBOUQDAKOD-TUAOUCFPSA-N 1 0 249.320 3.682 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccsc2)c1 ZINC000669851173 487886009 /nfs/dbraw/zinc/88/60/09/487886009.db2.gz WRTLFOYTRDXCLQ-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)c1 ZINC000669851174 487886531 /nfs/dbraw/zinc/88/65/31/487886531.db2.gz WRTLFOYTRDXCLQ-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccsc2)c1 ZINC000669851175 487885818 /nfs/dbraw/zinc/88/58/18/487885818.db2.gz WRTLFOYTRDXCLQ-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccsc2)c1 ZINC000669851176 487886059 /nfs/dbraw/zinc/88/60/59/487886059.db2.gz WRTLFOYTRDXCLQ-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO CC(C)[NH+](C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000669932370 487935681 /nfs/dbraw/zinc/93/56/81/487935681.db2.gz GHESMCSGTMSWOQ-AWEZNQCLSA-N 1 0 239.403 3.597 20 0 BHADRO CC(C)[NH+](C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000669932371 487935808 /nfs/dbraw/zinc/93/58/08/487935808.db2.gz GHESMCSGTMSWOQ-CQSZACIVSA-N 1 0 239.403 3.597 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccsc2)c(C)n1 ZINC000669937716 487941933 /nfs/dbraw/zinc/94/19/33/487941933.db2.gz QAFAGZMIMQWPLL-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccsc2)c(C)n1 ZINC000669937717 487941648 /nfs/dbraw/zinc/94/16/48/487941648.db2.gz QAFAGZMIMQWPLL-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1 ZINC000669944610 487951717 /nfs/dbraw/zinc/95/17/17/487951717.db2.gz DZMOWRXKXPWWGF-AWEZNQCLSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@H](C)C2CCCCC2)c1 ZINC000669944611 487951910 /nfs/dbraw/zinc/95/19/10/487951910.db2.gz DZMOWRXKXPWWGF-CQSZACIVSA-N 1 0 246.398 3.791 20 0 BHADRO CC1=C(c2ccco2)C[N@@H+](C2CCCC2)CC1 ZINC000669945009 487952227 /nfs/dbraw/zinc/95/22/27/487952227.db2.gz HROMAHDBXRBIBR-UHFFFAOYSA-N 1 0 231.339 3.701 20 0 BHADRO CC1(C[NH2+]CC2CC(c3ccccc3)C2)CCC1 ZINC000669996810 487985518 /nfs/dbraw/zinc/98/55/18/487985518.db2.gz WKSWRFGKBGTWKO-UHFFFAOYSA-N 1 0 243.394 3.960 20 0 BHADRO CO[C@@H](C[NH2+]C(C(C)C)C(C)C)c1ccccc1 ZINC000670085407 488074360 /nfs/dbraw/zinc/07/43/60/488074360.db2.gz ZTTXANJBZKAAKU-HNNXBMFYSA-N 1 0 249.398 3.644 20 0 BHADRO CO[C@H](C[NH2+]C(C(C)C)C(C)C)c1ccccc1 ZINC000670085408 488074241 /nfs/dbraw/zinc/07/42/41/488074241.db2.gz ZTTXANJBZKAAKU-OAHLLOKOSA-N 1 0 249.398 3.644 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153512 487477037 /nfs/dbraw/zinc/47/70/37/487477037.db2.gz DRBVXROXXVLWLA-SDADXPQNSA-N 1 0 231.383 3.957 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153513 487476594 /nfs/dbraw/zinc/47/65/94/487476594.db2.gz DRBVXROXXVLWLA-VDERGJSUSA-N 1 0 231.383 3.957 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153514 487477281 /nfs/dbraw/zinc/47/72/81/487477281.db2.gz DRBVXROXXVLWLA-VRKREXBASA-N 1 0 231.383 3.957 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153515 487477197 /nfs/dbraw/zinc/47/71/97/487477197.db2.gz DRBVXROXXVLWLA-XRGAULLZSA-N 1 0 231.383 3.957 20 0 BHADRO CCCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153655 487476762 /nfs/dbraw/zinc/47/67/62/487476762.db2.gz LGLWLHDCHSZDFW-BPUTZDHNSA-N 1 0 231.383 3.958 20 0 BHADRO CCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153656 487477355 /nfs/dbraw/zinc/47/73/55/487477355.db2.gz LGLWLHDCHSZDFW-KBMXLJTQSA-N 1 0 231.383 3.958 20 0 BHADRO Cc1occc1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000670154181 487480023 /nfs/dbraw/zinc/48/00/23/487480023.db2.gz NBLFRVUZDZOQRC-HNNXBMFYSA-N 1 0 235.371 3.892 20 0 BHADRO Cc1occc1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000670154182 487479853 /nfs/dbraw/zinc/47/98/53/487479853.db2.gz NBLFRVUZDZOQRC-OAHLLOKOSA-N 1 0 235.371 3.892 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154198 487479953 /nfs/dbraw/zinc/47/99/53/487479953.db2.gz RGHIUWVUWGTBBE-OMNBBPDLSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000670154199 487480323 /nfs/dbraw/zinc/48/03/23/487480323.db2.gz RGHIUWVUWGTBBE-OQUILHJVSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000670154200 487480155 /nfs/dbraw/zinc/48/01/55/487480155.db2.gz RGHIUWVUWGTBBE-PYTWLRIVSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000670154201 487480298 /nfs/dbraw/zinc/48/02/98/487480298.db2.gz RGHIUWVUWGTBBE-RMHZUWNSSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155346 566455383 /nfs/dbraw/zinc/45/53/83/566455383.db2.gz WTQKCLQWZVLOTR-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155347 566454983 /nfs/dbraw/zinc/45/49/83/566454983.db2.gz WTQKCLQWZVLOTR-RCBQFDQVSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155365 491081687 /nfs/dbraw/zinc/08/16/87/491081687.db2.gz CGWKBWSEPMXZDP-OMNBBPDLSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CCC1 ZINC000670155366 491081666 /nfs/dbraw/zinc/08/16/66/491081666.db2.gz CGWKBWSEPMXZDP-OQUILHJVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155367 491081691 /nfs/dbraw/zinc/08/16/91/491081691.db2.gz CGWKBWSEPMXZDP-PYTWLRIVSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155368 491081677 /nfs/dbraw/zinc/08/16/77/491081677.db2.gz CGWKBWSEPMXZDP-RMHZUWNSSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155699 487481809 /nfs/dbraw/zinc/48/18/09/487481809.db2.gz ANDHXTJGFYYABH-CYUUQNCZSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155700 487481634 /nfs/dbraw/zinc/48/16/34/487481634.db2.gz ANDHXTJGFYYABH-MXAVVETBSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155701 487482061 /nfs/dbraw/zinc/48/20/61/487482061.db2.gz ANDHXTJGFYYABH-UNQGMJICSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670155702 487481996 /nfs/dbraw/zinc/48/19/96/487481996.db2.gz ANDHXTJGFYYABH-UQOMUDLDSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+]C1(C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156964 487485717 /nfs/dbraw/zinc/48/57/17/487485717.db2.gz ZMVGBHJIZAVWTN-QEJZJMRPSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H]([NH2+]C1(C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670156965 487485657 /nfs/dbraw/zinc/48/56/57/487485657.db2.gz ZMVGBHJIZAVWTN-SNPRPXQTSA-N 1 0 229.367 3.711 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C(C)(C)C ZINC000670261423 487850976 /nfs/dbraw/zinc/85/09/76/487850976.db2.gz SUNNZYDWYRZBBR-GXTWGEPZSA-N 1 0 234.387 3.834 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1c1ccc[nH]1)C(C)(C)C ZINC000670261424 487851488 /nfs/dbraw/zinc/85/14/88/487851488.db2.gz SUNNZYDWYRZBBR-JSGCOSHPSA-N 1 0 234.387 3.834 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1c1ccc[nH]1)C(C)(C)C ZINC000670261425 487851092 /nfs/dbraw/zinc/85/10/92/487851092.db2.gz SUNNZYDWYRZBBR-OCCSQVGLSA-N 1 0 234.387 3.834 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C(C)(C)C ZINC000670261426 487851139 /nfs/dbraw/zinc/85/11/39/487851139.db2.gz SUNNZYDWYRZBBR-TZMCWYRMSA-N 1 0 234.387 3.834 20 0 BHADRO C[C@H](C[N@@H+]1CCn2cccc2[C@H]1C)C(C)(C)C ZINC000670261599 487854990 /nfs/dbraw/zinc/85/49/90/487854990.db2.gz GXNOMRAFSKHYAX-CHWSQXEVSA-N 1 0 234.387 3.547 20 0 BHADRO C[C@H](C[N@@H+]1CCn2cccc2[C@@H]1C)C(C)(C)C ZINC000670261600 487854793 /nfs/dbraw/zinc/85/47/93/487854793.db2.gz GXNOMRAFSKHYAX-OLZOCXBDSA-N 1 0 234.387 3.547 20 0 BHADRO C[C@@H](C[N@@H+]1CCn2cccc2[C@H]1C)C(C)(C)C ZINC000670261601 487854967 /nfs/dbraw/zinc/85/49/67/487854967.db2.gz GXNOMRAFSKHYAX-QWHCGFSZSA-N 1 0 234.387 3.547 20 0 BHADRO C[C@@H](C[N@@H+]1CCn2cccc2[C@@H]1C)C(C)(C)C ZINC000670261602 487854693 /nfs/dbraw/zinc/85/46/93/487854693.db2.gz GXNOMRAFSKHYAX-STQMWFEESA-N 1 0 234.387 3.547 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)o1 ZINC000670261616 487854879 /nfs/dbraw/zinc/85/48/79/487854879.db2.gz KOJLGYCRDGMZOD-LLVKDONJSA-N 1 0 223.360 3.702 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H](C)C(C)(C)C)o1 ZINC000670261617 487854903 /nfs/dbraw/zinc/85/49/03/487854903.db2.gz KOJLGYCRDGMZOD-NSHDSACASA-N 1 0 223.360 3.702 20 0 BHADRO C[C@H](C[N@H+](C)Cc1cccs1)C(C)(C)C ZINC000670261661 487854782 /nfs/dbraw/zinc/85/47/82/487854782.db2.gz SHKBJNDPARTEAI-LLVKDONJSA-N 1 0 225.401 3.862 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1cccs1)C(C)(C)C ZINC000670261662 487854810 /nfs/dbraw/zinc/85/48/10/487854810.db2.gz SHKBJNDPARTEAI-NSHDSACASA-N 1 0 225.401 3.862 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1c1cccn1C)C(C)(C)C ZINC000670261742 487855549 /nfs/dbraw/zinc/85/55/49/487855549.db2.gz HXOFQYGSOXPAQK-DZGCQCFKSA-N 1 0 248.414 3.844 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1c1cccn1C)C(C)(C)C ZINC000670261743 487855599 /nfs/dbraw/zinc/85/55/99/487855599.db2.gz HXOFQYGSOXPAQK-HIFRSBDPSA-N 1 0 248.414 3.844 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1c1cccn1C)C(C)(C)C ZINC000670261744 487855689 /nfs/dbraw/zinc/85/56/89/487855689.db2.gz HXOFQYGSOXPAQK-UKRRQHHQSA-N 1 0 248.414 3.844 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1c1cccn1C)C(C)(C)C ZINC000670261745 487855486 /nfs/dbraw/zinc/85/54/86/487855486.db2.gz HXOFQYGSOXPAQK-ZFWWWQNUSA-N 1 0 248.414 3.844 20 0 BHADRO C[C@H](C[N@H+](C)Cc1ccsc1)C(C)(C)C ZINC000670261815 487854946 /nfs/dbraw/zinc/85/49/46/487854946.db2.gz SMUIDLWAPUCHIU-LLVKDONJSA-N 1 0 225.401 3.862 20 0 BHADRO C[C@@H](C[N@H+](C)Cc1ccsc1)C(C)(C)C ZINC000670261816 487854855 /nfs/dbraw/zinc/85/48/55/487854855.db2.gz SMUIDLWAPUCHIU-NSHDSACASA-N 1 0 225.401 3.862 20 0 BHADRO C[C@H](C[N@@H+]1CCc2sccc2C1)C(C)(C)C ZINC000670261933 487857398 /nfs/dbraw/zinc/85/73/98/487857398.db2.gz ONJRITCQNDZYHC-LLVKDONJSA-N 1 0 237.412 3.788 20 0 BHADRO C[C@@H](C[N@@H+]1CCc2sccc2C1)C(C)(C)C ZINC000670261934 487857487 /nfs/dbraw/zinc/85/74/87/487857487.db2.gz ONJRITCQNDZYHC-NSHDSACASA-N 1 0 237.412 3.788 20 0 BHADRO Cc1nc(C[N@@H+](C)C[C@H](C)C(C)(C)C)cs1 ZINC000670262097 487857807 /nfs/dbraw/zinc/85/78/07/487857807.db2.gz PXRJKBSRFZKQLG-JTQLQIEISA-N 1 0 240.416 3.566 20 0 BHADRO Cc1nc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)cs1 ZINC000670262098 487858077 /nfs/dbraw/zinc/85/80/77/487858077.db2.gz PXRJKBSRFZKQLG-SNVBAGLBSA-N 1 0 240.416 3.566 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)c1ccco1)C(C)(C)C ZINC000670262296 487859062 /nfs/dbraw/zinc/85/90/62/487859062.db2.gz YLKOUTXYENHMMC-NEPJUHHUSA-N 1 0 223.360 3.955 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)c1ccco1)C(C)(C)C ZINC000670262297 487859414 /nfs/dbraw/zinc/85/94/14/487859414.db2.gz YLKOUTXYENHMMC-NWDGAFQWSA-N 1 0 223.360 3.955 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)c1ccco1)C(C)(C)C ZINC000670262298 487859306 /nfs/dbraw/zinc/85/93/06/487859306.db2.gz YLKOUTXYENHMMC-RYUDHWBXSA-N 1 0 223.360 3.955 20 0 BHADRO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670262299 487859278 /nfs/dbraw/zinc/85/92/78/487859278.db2.gz YLKOUTXYENHMMC-VXGBXAGGSA-N 1 0 223.360 3.955 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1c1ccccn1)C(C)(C)C ZINC000670262427 487859312 /nfs/dbraw/zinc/85/93/12/487859312.db2.gz SPMVPIOZRTYBMG-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1c1ccccn1)C(C)(C)C ZINC000670262428 487859367 /nfs/dbraw/zinc/85/93/67/487859367.db2.gz SPMVPIOZRTYBMG-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1c1ccccn1)C(C)(C)C ZINC000670262429 487859039 /nfs/dbraw/zinc/85/90/39/487859039.db2.gz SPMVPIOZRTYBMG-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1c1ccccn1)C(C)(C)C ZINC000670262430 487859496 /nfs/dbraw/zinc/85/94/96/487859496.db2.gz SPMVPIOZRTYBMG-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1ncc(C[N@@H+](C)C[C@H](C)C(C)(C)C)s1 ZINC000670262558 487860285 /nfs/dbraw/zinc/86/02/85/487860285.db2.gz MQFUOVCAGQAJNY-JTQLQIEISA-N 1 0 240.416 3.566 20 0 BHADRO Cc1ncc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)s1 ZINC000670262559 487859952 /nfs/dbraw/zinc/85/99/52/487859952.db2.gz MQFUOVCAGQAJNY-SNVBAGLBSA-N 1 0 240.416 3.566 20 0 BHADRO CC(C)[N@@H+](Cc1ccccn1)C[C@H](C)C(C)(C)C ZINC000670262735 487861504 /nfs/dbraw/zinc/86/15/04/487861504.db2.gz GUCQDFPXFVWLKH-AWEZNQCLSA-N 1 0 248.414 3.974 20 0 BHADRO CC(C)[N@@H+](Cc1ccccn1)C[C@@H](C)C(C)(C)C ZINC000670262736 487860866 /nfs/dbraw/zinc/86/08/66/487860866.db2.gz GUCQDFPXFVWLKH-CQSZACIVSA-N 1 0 248.414 3.974 20 0 BHADRO Cc1occc1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670262781 487861087 /nfs/dbraw/zinc/86/10/87/487861087.db2.gz KZHDRBFILYQSHR-LLVKDONJSA-N 1 0 223.360 3.702 20 0 BHADRO Cc1occc1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000670262782 487861558 /nfs/dbraw/zinc/86/15/58/487861558.db2.gz KZHDRBFILYQSHR-NSHDSACASA-N 1 0 223.360 3.702 20 0 BHADRO CC(C)OC1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670262846 487860747 /nfs/dbraw/zinc/86/07/47/487860747.db2.gz VWQJUQOOYZNDJA-CYBMUJFWSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)OC1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000670262847 487861223 /nfs/dbraw/zinc/86/12/23/487861223.db2.gz VWQJUQOOYZNDJA-ZDUSSCGKSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@H](C[N@H+](C)CCC(F)(F)F)C(C)(C)C ZINC000670263036 487861595 /nfs/dbraw/zinc/86/15/95/487861595.db2.gz XINYERRLKLGQHF-SECBINFHSA-N 1 0 225.298 3.553 20 0 BHADRO C[C@@H](C[N@H+](C)CCC(F)(F)F)C(C)(C)C ZINC000670263037 487861170 /nfs/dbraw/zinc/86/11/70/487861170.db2.gz XINYERRLKLGQHF-VIFPVBQESA-N 1 0 225.298 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263057 487862245 /nfs/dbraw/zinc/86/22/45/487862245.db2.gz AHYUEWPCMDJUHQ-CHWSQXEVSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263058 487862070 /nfs/dbraw/zinc/86/20/70/487862070.db2.gz AHYUEWPCMDJUHQ-OLZOCXBDSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263059 487862127 /nfs/dbraw/zinc/86/21/27/487862127.db2.gz AHYUEWPCMDJUHQ-QWHCGFSZSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263060 487862054 /nfs/dbraw/zinc/86/20/54/487862054.db2.gz AHYUEWPCMDJUHQ-STQMWFEESA-N 1 0 249.402 3.619 20 0 BHADRO CCC[N@H+](CC(F)F)C[C@H](C)C(C)(C)C ZINC000670263178 487862300 /nfs/dbraw/zinc/86/23/00/487862300.db2.gz PAEJOKKJAIJGMW-JTQLQIEISA-N 1 0 221.335 3.646 20 0 BHADRO CCC[N@H+](CC(F)F)C[C@@H](C)C(C)(C)C ZINC000670263179 487862464 /nfs/dbraw/zinc/86/24/64/487862464.db2.gz PAEJOKKJAIJGMW-SNVBAGLBSA-N 1 0 221.335 3.646 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@H](C)C(C)(C)C ZINC000670263271 487862381 /nfs/dbraw/zinc/86/23/81/487862381.db2.gz YVHJTCXFZOPYHH-JTQLQIEISA-N 1 0 239.325 3.943 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@@H](C)C(C)(C)C ZINC000670263272 487862188 /nfs/dbraw/zinc/86/21/88/487862188.db2.gz YVHJTCXFZOPYHH-SNVBAGLBSA-N 1 0 239.325 3.943 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@@H](C)C(C)(C)C ZINC000670263354 487860811 /nfs/dbraw/zinc/86/08/11/487860811.db2.gz FGWMJSXUOLIDKP-GFCCVEGCSA-N 1 0 223.360 3.784 20 0 BHADRO CC[N@@H+](Cc1ccoc1)C[C@H](C)C(C)(C)C ZINC000670263355 487860769 /nfs/dbraw/zinc/86/07/69/487860769.db2.gz FGWMJSXUOLIDKP-LBPRGKRZSA-N 1 0 223.360 3.784 20 0 BHADRO Cc1ncsc1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000670263590 487863299 /nfs/dbraw/zinc/86/32/99/487863299.db2.gz CHWIKDOLSVQHLI-JTQLQIEISA-N 1 0 240.416 3.566 20 0 BHADRO Cc1ncsc1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670263591 487863542 /nfs/dbraw/zinc/86/35/42/487863542.db2.gz CHWIKDOLSVQHLI-SNVBAGLBSA-N 1 0 240.416 3.566 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1C1CC1)C(C)(C)C ZINC000670263664 487863480 /nfs/dbraw/zinc/86/34/80/487863480.db2.gz LOOYPERWAVXVNC-AAEUAGOBSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1C1CC1)C(C)(C)C ZINC000670263665 487863284 /nfs/dbraw/zinc/86/32/84/487863284.db2.gz LOOYPERWAVXVNC-DGCLKSJQSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1C1CC1)C(C)(C)C ZINC000670263666 487863271 /nfs/dbraw/zinc/86/32/71/487863271.db2.gz LOOYPERWAVXVNC-WCQYABFASA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1C1CC1)C(C)(C)C ZINC000670263667 487863111 /nfs/dbraw/zinc/86/31/11/487863111.db2.gz LOOYPERWAVXVNC-YPMHNXCESA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[NH+]1Cc2ccccc2C1)C(C)(C)C ZINC000670263672 487863182 /nfs/dbraw/zinc/86/31/82/487863182.db2.gz MDJQBOCUVVRRSO-GFCCVEGCSA-N 1 0 217.356 3.684 20 0 BHADRO C[C@@H](C[NH+]1Cc2ccccc2C1)C(C)(C)C ZINC000670263673 487863186 /nfs/dbraw/zinc/86/31/86/487863186.db2.gz MDJQBOCUVVRRSO-LBPRGKRZSA-N 1 0 217.356 3.684 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@@H](C)C(C)(C)C ZINC000670264216 487864762 /nfs/dbraw/zinc/86/47/62/487864762.db2.gz AXIRXQHHLJKTHL-CYBMUJFWSA-N 1 0 234.387 3.586 20 0 BHADRO CC[N@@H+](Cc1ccccn1)C[C@H](C)C(C)(C)C ZINC000670264217 487864371 /nfs/dbraw/zinc/86/43/71/487864371.db2.gz AXIRXQHHLJKTHL-ZDUSSCGKSA-N 1 0 234.387 3.586 20 0 BHADRO Cc1csc(C[N@@H+](C)C[C@H](C)C(C)(C)C)n1 ZINC000670264346 487865723 /nfs/dbraw/zinc/86/57/23/487865723.db2.gz TWMWPWOGESAKAF-JTQLQIEISA-N 1 0 240.416 3.566 20 0 BHADRO Cc1csc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)n1 ZINC000670264347 487865482 /nfs/dbraw/zinc/86/54/82/487865482.db2.gz TWMWPWOGESAKAF-SNVBAGLBSA-N 1 0 240.416 3.566 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](c2ccco2)C1)C(C)(C)C ZINC000670264356 487865581 /nfs/dbraw/zinc/86/55/81/487865581.db2.gz ULLUKZVADBYOGC-CHWSQXEVSA-N 1 0 235.371 3.751 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](c2ccco2)C1)C(C)(C)C ZINC000670264357 487865225 /nfs/dbraw/zinc/86/52/25/487865225.db2.gz ULLUKZVADBYOGC-OLZOCXBDSA-N 1 0 235.371 3.751 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](c2ccco2)C1)C(C)(C)C ZINC000670264358 487865214 /nfs/dbraw/zinc/86/52/14/487865214.db2.gz ULLUKZVADBYOGC-QWHCGFSZSA-N 1 0 235.371 3.751 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](c2ccco2)C1)C(C)(C)C ZINC000670264359 487865599 /nfs/dbraw/zinc/86/55/99/487865599.db2.gz ULLUKZVADBYOGC-STQMWFEESA-N 1 0 235.371 3.751 20 0 BHADRO C[C@@H](C[NH+]1CCC(C(F)F)CC1)C(C)(C)C ZINC000670264405 487866426 /nfs/dbraw/zinc/86/64/26/487866426.db2.gz BQGVUWBEDPHGNY-JTQLQIEISA-N 1 0 233.346 3.646 20 0 BHADRO C[C@H](C[NH+]1CCC(C(F)F)CC1)C(C)(C)C ZINC000670264406 487866611 /nfs/dbraw/zinc/86/66/11/487866611.db2.gz BQGVUWBEDPHGNY-SNVBAGLBSA-N 1 0 233.346 3.646 20 0 BHADRO COC1CCC([N@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000670264454 487866234 /nfs/dbraw/zinc/86/62/34/487866234.db2.gz HVLRNPDRQVUZGM-HSBZDZAISA-N 1 0 241.419 3.558 20 0 BHADRO COC1CCC([N@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000670264455 487866247 /nfs/dbraw/zinc/86/62/47/487866247.db2.gz HVLRNPDRQVUZGM-IYXRBSQSSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@H](C[N@@H+]1CCc2ccsc2C1)C(C)(C)C ZINC000670264484 487866541 /nfs/dbraw/zinc/86/65/41/487866541.db2.gz LRCMLFRRDGYUGV-LLVKDONJSA-N 1 0 237.412 3.788 20 0 BHADRO C[C@@H](C[N@@H+]1CCc2ccsc2C1)C(C)(C)C ZINC000670264485 487866448 /nfs/dbraw/zinc/86/64/48/487866448.db2.gz LRCMLFRRDGYUGV-NSHDSACASA-N 1 0 237.412 3.788 20 0 BHADRO C[C@H](C[N@@H+]1CCC2(CCC2)C1)C(C)(C)C ZINC000670264507 487865353 /nfs/dbraw/zinc/86/53/53/487865353.db2.gz OOTLYBDTRRWLCX-GFCCVEGCSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H](C[N@@H+]1CCC2(CCC2)C1)C(C)(C)C ZINC000670264508 487865736 /nfs/dbraw/zinc/86/57/36/487865736.db2.gz OOTLYBDTRRWLCX-LBPRGKRZSA-N 1 0 209.377 3.545 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)n1 ZINC000670264822 487868034 /nfs/dbraw/zinc/86/80/34/487868034.db2.gz HKHVHAAUXYPXKR-GFCCVEGCSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1cccc(C[N@@H+](C)C[C@H](C)C(C)(C)C)n1 ZINC000670264823 487868007 /nfs/dbraw/zinc/86/80/07/487868007.db2.gz HKHVHAAUXYPXKR-LBPRGKRZSA-N 1 0 234.387 3.504 20 0 BHADRO C[C@@H](C[N@H+]1CC=C(C(F)(F)F)CC1)C(C)(C)C ZINC000670264857 487867977 /nfs/dbraw/zinc/86/79/77/487867977.db2.gz KNZNMSWWONVKEI-JTQLQIEISA-N 1 0 249.320 3.863 20 0 BHADRO C[C@H](C[N@H+]1CC=C(C(F)(F)F)CC1)C(C)(C)C ZINC000670264858 487868024 /nfs/dbraw/zinc/86/80/24/487868024.db2.gz KNZNMSWWONVKEI-SNVBAGLBSA-N 1 0 249.320 3.863 20 0 BHADRO C[C@H](C[NH2+]CCCc1ccc(O)cc1)C(C)(C)C ZINC000670266881 487874103 /nfs/dbraw/zinc/87/41/03/487874103.db2.gz FLIQWZUJJZLEIL-CYBMUJFWSA-N 1 0 249.398 3.597 20 0 BHADRO C[C@@H](C[NH2+]CCCc1ccc(O)cc1)C(C)(C)C ZINC000670266882 487874166 /nfs/dbraw/zinc/87/41/66/487874166.db2.gz FLIQWZUJJZLEIL-ZDUSSCGKSA-N 1 0 249.398 3.597 20 0 BHADRO C[C@H](C[NH2+]CCCOC1CCCC1)C(C)(C)C ZINC000670267047 487873923 /nfs/dbraw/zinc/87/39/23/487873923.db2.gz OBHACYYYYGBFOA-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](C[NH2+]CCCOC1CCCC1)C(C)(C)C ZINC000670267048 487873668 /nfs/dbraw/zinc/87/36/68/487873668.db2.gz OBHACYYYYGBFOA-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)c1cc(C[NH2+]C[C@@H](C)C(C)(C)C)on1 ZINC000670267067 487873713 /nfs/dbraw/zinc/87/37/13/487873713.db2.gz OMEUDGKZXOJCGE-LLVKDONJSA-N 1 0 238.375 3.570 20 0 BHADRO CC(C)c1cc(C[NH2+]C[C@H](C)C(C)(C)C)on1 ZINC000670267068 487873976 /nfs/dbraw/zinc/87/39/76/487873976.db2.gz OMEUDGKZXOJCGE-NSHDSACASA-N 1 0 238.375 3.570 20 0 BHADRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000670267116 487873885 /nfs/dbraw/zinc/87/38/85/487873885.db2.gz QYQMVBQONXMGIM-CHWSQXEVSA-N 1 0 249.398 3.595 20 0 BHADRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000670267117 487874111 /nfs/dbraw/zinc/87/41/11/487874111.db2.gz QYQMVBQONXMGIM-OLZOCXBDSA-N 1 0 249.398 3.595 20 0 BHADRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@H](C)C(C)(C)C ZINC000670267118 487873953 /nfs/dbraw/zinc/87/39/53/487873953.db2.gz QYQMVBQONXMGIM-QWHCGFSZSA-N 1 0 249.398 3.595 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)Cc1cccc(O)c1)C(C)(C)C ZINC000670267119 487874191 /nfs/dbraw/zinc/87/41/91/487874191.db2.gz QYQMVBQONXMGIM-STQMWFEESA-N 1 0 249.398 3.595 20 0 BHADRO C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000670267142 487874136 /nfs/dbraw/zinc/87/41/36/487874136.db2.gz RXZBRBMAGLDXKU-CYBMUJFWSA-N 1 0 248.414 3.524 20 0 BHADRO C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)C(C)(C)C ZINC000670267143 487873735 /nfs/dbraw/zinc/87/37/35/487873735.db2.gz RXZBRBMAGLDXKU-ZDUSSCGKSA-N 1 0 248.414 3.524 20 0 BHADRO CCO[C@@H](CC[NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000670267895 487876704 /nfs/dbraw/zinc/87/67/04/487876704.db2.gz XXMKVQKITLBCLM-KBPBESRZSA-N 1 0 243.435 3.709 20 0 BHADRO CCO[C@@H](CC[NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000670267896 487877205 /nfs/dbraw/zinc/87/72/05/487877205.db2.gz XXMKVQKITLBCLM-KGLIPLIRSA-N 1 0 243.435 3.709 20 0 BHADRO CCO[C@H](CC[NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000670267897 487876795 /nfs/dbraw/zinc/87/67/95/487876795.db2.gz XXMKVQKITLBCLM-UONOGXRCSA-N 1 0 243.435 3.709 20 0 BHADRO CCO[C@H](CC[NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000670267898 487877280 /nfs/dbraw/zinc/87/72/80/487877280.db2.gz XXMKVQKITLBCLM-ZIAGYGMSSA-N 1 0 243.435 3.709 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccncc1 ZINC000670267941 487877073 /nfs/dbraw/zinc/87/70/73/487877073.db2.gz ZKQGIRSNNXNMTM-GXTWGEPZSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccncc1 ZINC000670267942 487876977 /nfs/dbraw/zinc/87/69/77/487876977.db2.gz ZKQGIRSNNXNMTM-JSGCOSHPSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccncc1 ZINC000670267943 487876969 /nfs/dbraw/zinc/87/69/69/487876969.db2.gz ZKQGIRSNNXNMTM-OCCSQVGLSA-N 1 0 234.387 3.805 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccncc1 ZINC000670267944 487877170 /nfs/dbraw/zinc/87/71/70/487877170.db2.gz ZKQGIRSNNXNMTM-TZMCWYRMSA-N 1 0 234.387 3.805 20 0 BHADRO C[C@H](C[NH2+][C@H](c1cccnc1)C1CC1)C(C)(C)C ZINC000670268079 487876901 /nfs/dbraw/zinc/87/69/01/487876901.db2.gz GUFIZBDCPKLWNO-DOMZBBRYSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H](C[NH2+][C@@H](c1cccnc1)C1CC1)C(C)(C)C ZINC000670268080 487876673 /nfs/dbraw/zinc/87/66/73/487876673.db2.gz GUFIZBDCPKLWNO-IUODEOHRSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CC1)C(C)(C)C ZINC000670268081 487877180 /nfs/dbraw/zinc/87/71/80/487877180.db2.gz GUFIZBDCPKLWNO-SWLSCSKDSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@@H](C[NH2+][C@H](c1cccnc1)C1CC1)C(C)(C)C ZINC000670268082 487876745 /nfs/dbraw/zinc/87/67/45/487876745.db2.gz GUFIZBDCPKLWNO-WFASDCNBSA-N 1 0 246.398 3.805 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000670268309 487878468 /nfs/dbraw/zinc/87/84/68/487878468.db2.gz VCQGJNQNDGULLF-CHWSQXEVSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000670268310 487877959 /nfs/dbraw/zinc/87/79/59/487877959.db2.gz VCQGJNQNDGULLF-OLZOCXBDSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000670268311 487878320 /nfs/dbraw/zinc/87/83/20/487878320.db2.gz VCQGJNQNDGULLF-QWHCGFSZSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000670268312 487878040 /nfs/dbraw/zinc/87/80/40/487878040.db2.gz VCQGJNQNDGULLF-STQMWFEESA-N 1 0 248.414 3.977 20 0 BHADRO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670268514 487878348 /nfs/dbraw/zinc/87/83/48/487878348.db2.gz MVVIUZDXAWAKRU-CHWSQXEVSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)c1ccccn1)C(C)(C)C ZINC000670268515 487878048 /nfs/dbraw/zinc/87/80/48/487878048.db2.gz MVVIUZDXAWAKRU-OLZOCXBDSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)c1ccccn1)C(C)(C)C ZINC000670268516 487877965 /nfs/dbraw/zinc/87/79/65/487877965.db2.gz MVVIUZDXAWAKRU-QWHCGFSZSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)c1ccccn1)C(C)(C)C ZINC000670268517 487878022 /nfs/dbraw/zinc/87/80/22/487878022.db2.gz MVVIUZDXAWAKRU-STQMWFEESA-N 1 0 234.387 3.757 20 0 BHADRO C[C@H](c1cccnc1)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670269090 487880501 /nfs/dbraw/zinc/88/05/01/487880501.db2.gz QGKGHUBUMFYNBR-CHWSQXEVSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)c1cccnc1)C(C)(C)C ZINC000670269091 487880142 /nfs/dbraw/zinc/88/01/42/487880142.db2.gz QGKGHUBUMFYNBR-OLZOCXBDSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)c1cccnc1)C(C)(C)C ZINC000670269092 487880753 /nfs/dbraw/zinc/88/07/53/487880753.db2.gz QGKGHUBUMFYNBR-QWHCGFSZSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)c1cccnc1)C(C)(C)C ZINC000670269093 487880178 /nfs/dbraw/zinc/88/01/78/487880178.db2.gz QGKGHUBUMFYNBR-STQMWFEESA-N 1 0 234.387 3.757 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@@H](C)C(C)(C)C)cn1 ZINC000670269153 487880066 /nfs/dbraw/zinc/88/00/66/487880066.db2.gz WRYCLUDUKQAXOV-GFCCVEGCSA-N 1 0 248.414 3.897 20 0 BHADRO Cc1ccc(C(C)(C)[NH2+]C[C@H](C)C(C)(C)C)cn1 ZINC000670269154 487880308 /nfs/dbraw/zinc/88/03/08/487880308.db2.gz WRYCLUDUKQAXOV-LBPRGKRZSA-N 1 0 248.414 3.897 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670269155 487880507 /nfs/dbraw/zinc/88/05/07/487880507.db2.gz WZPMQJMGGPLYOW-CHWSQXEVSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@H](C[N@H+](C)[C@@H](C)c1ccncc1)C(C)(C)C ZINC000670269156 487880245 /nfs/dbraw/zinc/88/02/45/487880245.db2.gz WZPMQJMGGPLYOW-OLZOCXBDSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@H](C)c1ccncc1)C(C)(C)C ZINC000670269157 487880411 /nfs/dbraw/zinc/88/04/11/487880411.db2.gz WZPMQJMGGPLYOW-QWHCGFSZSA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[N@H+](C)[C@@H](C)c1ccncc1)C(C)(C)C ZINC000670269158 487880224 /nfs/dbraw/zinc/88/02/24/487880224.db2.gz WZPMQJMGGPLYOW-STQMWFEESA-N 1 0 234.387 3.757 20 0 BHADRO C[C@@H](C[NH2+]CCC[C@@H]1CCCCO1)C(C)(C)C ZINC000670269174 487880184 /nfs/dbraw/zinc/88/01/84/487880184.db2.gz YOFRSJUFDRIVBI-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](C[NH2+]CCC[C@@H]1CCCCO1)C(C)(C)C ZINC000670269175 487880668 /nfs/dbraw/zinc/88/06/68/487880668.db2.gz YOFRSJUFDRIVBI-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H](C[NH2+]CCC[C@H]1CCCCO1)C(C)(C)C ZINC000670269176 487880713 /nfs/dbraw/zinc/88/07/13/487880713.db2.gz YOFRSJUFDRIVBI-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](C[NH2+]CCC[C@H]1CCCCO1)C(C)(C)C ZINC000670269177 487880464 /nfs/dbraw/zinc/88/04/64/487880464.db2.gz YOFRSJUFDRIVBI-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@H](C[N@@H+]1CCCC2(CC2)C1)C(C)(C)C ZINC000670269255 487881342 /nfs/dbraw/zinc/88/13/42/487881342.db2.gz ITPZVPMPXRIZKS-GFCCVEGCSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC2(CC2)C1)C(C)(C)C ZINC000670269256 487881710 /nfs/dbraw/zinc/88/17/10/487881710.db2.gz ITPZVPMPXRIZKS-LBPRGKRZSA-N 1 0 209.377 3.545 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000670269395 487881160 /nfs/dbraw/zinc/88/11/60/487881160.db2.gz ALWNLMMWHCVDBM-AGIUHOORSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000670269396 487881184 /nfs/dbraw/zinc/88/11/84/487881184.db2.gz ALWNLMMWHCVDBM-FRRDWIJNSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@H]21)C(C)(C)C ZINC000670269397 487881653 /nfs/dbraw/zinc/88/16/53/487881653.db2.gz ALWNLMMWHCVDBM-JHJVBQTASA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H]2CCC[C@@H]21)C(C)(C)C ZINC000670269398 487881350 /nfs/dbraw/zinc/88/13/50/487881350.db2.gz ALWNLMMWHCVDBM-UPJWGTAASA-N 1 0 209.377 3.543 20 0 BHADRO CCn1ccc(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1 ZINC000670270126 487885623 /nfs/dbraw/zinc/88/56/23/487885623.db2.gz XJHLBTKTWQECOB-CYBMUJFWSA-N 1 0 236.403 3.622 20 0 BHADRO CCn1ccc(C[N@H+](C)C[C@H](C)C(C)(C)C)c1 ZINC000670270127 487885079 /nfs/dbraw/zinc/88/50/79/487885079.db2.gz XJHLBTKTWQECOB-ZDUSSCGKSA-N 1 0 236.403 3.622 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)nc1 ZINC000670270131 487885051 /nfs/dbraw/zinc/88/50/51/487885051.db2.gz YAGAASSJPGDOFM-CYBMUJFWSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H](C)C(C)(C)C)nc1 ZINC000670270132 487885236 /nfs/dbraw/zinc/88/52/36/487885236.db2.gz YAGAASSJPGDOFM-ZDUSSCGKSA-N 1 0 234.387 3.504 20 0 BHADRO CO[C@]1(C)CCC[N@H+](C[C@H](C)C(C)(C)C)CC1 ZINC000670270721 487888653 /nfs/dbraw/zinc/88/86/53/487888653.db2.gz KMHGJKCJBSQOFO-DZGCQCFKSA-N 1 0 241.419 3.560 20 0 BHADRO CO[C@@]1(C)CCC[N@H+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670270722 487888640 /nfs/dbraw/zinc/88/86/40/487888640.db2.gz KMHGJKCJBSQOFO-HIFRSBDPSA-N 1 0 241.419 3.560 20 0 BHADRO CO[C@]1(C)CCC[N@H+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670270723 487889445 /nfs/dbraw/zinc/88/94/45/487889445.db2.gz KMHGJKCJBSQOFO-UKRRQHHQSA-N 1 0 241.419 3.560 20 0 BHADRO CO[C@@]1(C)CCC[N@H+](C[C@H](C)C(C)(C)C)CC1 ZINC000670270724 487889381 /nfs/dbraw/zinc/88/93/81/487889381.db2.gz KMHGJKCJBSQOFO-ZFWWWQNUSA-N 1 0 241.419 3.560 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670270735 487889031 /nfs/dbraw/zinc/88/90/31/487889031.db2.gz OAIHLSKNBXQEOD-CYBMUJFWSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000670270736 487888791 /nfs/dbraw/zinc/88/87/91/487888791.db2.gz OAIHLSKNBXQEOD-ZDUSSCGKSA-N 1 0 234.387 3.504 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc(O)cc1 ZINC000670272438 487894979 /nfs/dbraw/zinc/89/49/79/487894979.db2.gz NJPVIKAHSANFES-CYBMUJFWSA-N 1 0 247.382 3.793 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc(O)cc1 ZINC000670272439 487894657 /nfs/dbraw/zinc/89/46/57/487894657.db2.gz NJPVIKAHSANFES-ZDUSSCGKSA-N 1 0 247.382 3.793 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000671098920 487874419 /nfs/dbraw/zinc/87/44/19/487874419.db2.gz CHYRVPWISPUYHL-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000671098921 487874240 /nfs/dbraw/zinc/87/42/40/487874240.db2.gz CHYRVPWISPUYHL-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)c1ccccc1 ZINC000671105154 487874851 /nfs/dbraw/zinc/87/48/51/487874851.db2.gz ZUKMQCGDXWWBNB-KBPBESRZSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)c1ccccc1 ZINC000671105161 487874760 /nfs/dbraw/zinc/87/47/60/487874760.db2.gz ZUKMQCGDXWWBNB-KGLIPLIRSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)c1ccccc1 ZINC000671105163 487874840 /nfs/dbraw/zinc/87/48/40/487874840.db2.gz ZUKMQCGDXWWBNB-UONOGXRCSA-N 1 0 249.398 3.583 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)c1ccccc1 ZINC000671105164 487874897 /nfs/dbraw/zinc/87/48/97/487874897.db2.gz ZUKMQCGDXWWBNB-ZIAGYGMSSA-N 1 0 249.398 3.583 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000671106425 487874908 /nfs/dbraw/zinc/87/49/08/487874908.db2.gz VUDYOVPPJPMSLO-AWEZNQCLSA-N 1 0 249.398 3.515 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000671106428 487874555 /nfs/dbraw/zinc/87/45/55/487874555.db2.gz VUDYOVPPJPMSLO-CQSZACIVSA-N 1 0 249.398 3.515 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000671109172 487874543 /nfs/dbraw/zinc/87/45/43/487874543.db2.gz ZDRWZWFGIIJKDC-BFHYXJOUSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000671109173 487874733 /nfs/dbraw/zinc/87/47/33/487874733.db2.gz ZDRWZWFGIIJKDC-IHRRRGAJSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000671109174 487874825 /nfs/dbraw/zinc/87/48/25/487874825.db2.gz ZDRWZWFGIIJKDC-MELADBBJSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000671109175 487875052 /nfs/dbraw/zinc/87/50/52/487875052.db2.gz ZDRWZWFGIIJKDC-MJBXVCDLSA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000671111551 487875607 /nfs/dbraw/zinc/87/56/07/487875607.db2.gz MBEVKMVUCRPSSW-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000671111552 487875540 /nfs/dbraw/zinc/87/55/40/487875540.db2.gz MBEVKMVUCRPSSW-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000671111554 487875785 /nfs/dbraw/zinc/87/57/85/487875785.db2.gz MBEVKMVUCRPSSW-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000671111555 487875601 /nfs/dbraw/zinc/87/56/01/487875601.db2.gz MBEVKMVUCRPSSW-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CCCCC1CCCC1 ZINC000671114902 487893946 /nfs/dbraw/zinc/89/39/46/487893946.db2.gz WVURSHWZKJFCAR-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000671114903 487893979 /nfs/dbraw/zinc/89/39/79/487893979.db2.gz WVURSHWZKJFCAR-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000671116191 490147879 /nfs/dbraw/zinc/14/78/79/490147879.db2.gz CUNCTIVEJKDKCS-HSBZDZAISA-N 1 0 241.419 3.604 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000671116192 490147816 /nfs/dbraw/zinc/14/78/16/490147816.db2.gz CUNCTIVEJKDKCS-IYXRBSQSSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@@]1(C)CCCO1 ZINC000671116738 487911517 /nfs/dbraw/zinc/91/15/17/487911517.db2.gz SEPVFPVOQOSUCU-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@]1(C)CCCO1 ZINC000671116739 487911682 /nfs/dbraw/zinc/91/16/82/487911682.db2.gz SEPVFPVOQOSUCU-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)[C@@]1(C)CCCO1 ZINC000671116740 487912175 /nfs/dbraw/zinc/91/21/75/487912175.db2.gz SEPVFPVOQOSUCU-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)[C@]1(C)CCCO1 ZINC000671116741 487912351 /nfs/dbraw/zinc/91/23/51/487912351.db2.gz SEPVFPVOQOSUCU-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000671118244 487913893 /nfs/dbraw/zinc/91/38/93/487913893.db2.gz OPZSPPIJJCXBOM-GFCCVEGCSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000671118245 487913801 /nfs/dbraw/zinc/91/38/01/487913801.db2.gz OPZSPPIJJCXBOM-LBPRGKRZSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CCC1=CCCCCC1 ZINC000671120444 487917181 /nfs/dbraw/zinc/91/71/81/487917181.db2.gz KBOGYDHJXOKMLE-CYBMUJFWSA-N 1 0 239.403 3.670 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CCC1=CCCCCC1 ZINC000671120445 487917066 /nfs/dbraw/zinc/91/70/66/487917066.db2.gz KBOGYDHJXOKMLE-ZDUSSCGKSA-N 1 0 239.403 3.670 20 0 BHADRO CCC1(C[NH2+][C@H](C)C(C)(C)OC)CCCCC1 ZINC000671120622 490149582 /nfs/dbraw/zinc/14/95/82/490149582.db2.gz YZOGMHSYDKIMHK-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CCC1(C[NH2+][C@@H](C)C(C)(C)OC)CCCCC1 ZINC000671120623 490150055 /nfs/dbraw/zinc/15/00/55/490150055.db2.gz YZOGMHSYDKIMHK-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CSc1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000671120934 487918528 /nfs/dbraw/zinc/91/85/28/487918528.db2.gz JDCNDUZBFZCDKS-AWEZNQCLSA-N 1 0 247.407 3.997 20 0 BHADRO CSc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000671120935 487918583 /nfs/dbraw/zinc/91/85/83/487918583.db2.gz JDCNDUZBFZCDKS-CQSZACIVSA-N 1 0 247.407 3.997 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000671123003 487919746 /nfs/dbraw/zinc/91/97/46/487919746.db2.gz FIZFOWCJIXUNQO-JVWICGRDSA-N 1 0 241.419 3.606 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000671123004 487919553 /nfs/dbraw/zinc/91/95/53/487919553.db2.gz FIZFOWCJIXUNQO-OWYJLGKBSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C(C[NH2+]C[C@H](C)c1ccncc1)C(C)C ZINC000671190882 490172804 /nfs/dbraw/zinc/17/28/04/490172804.db2.gz ADRLCTALCATCAL-AWEZNQCLSA-N 1 0 248.414 3.703 20 0 BHADRO CC(C)C(C[NH2+]C[C@@H](C)c1ccncc1)C(C)C ZINC000671190883 490172812 /nfs/dbraw/zinc/17/28/12/490172812.db2.gz ADRLCTALCATCAL-CQSZACIVSA-N 1 0 248.414 3.703 20 0 BHADRO FCCCCC[N@H+](C1CC1)C1CCCCC1 ZINC000671240169 487872659 /nfs/dbraw/zinc/87/26/59/487872659.db2.gz HYPHMGCGDZMQAH-UHFFFAOYSA-N 1 0 227.367 3.923 20 0 BHADRO Cc1ccc(C[N@H+](CCCCCF)C2CC2)o1 ZINC000671240281 487872441 /nfs/dbraw/zinc/87/24/41/487872441.db2.gz XIKDPFSTHMWYIX-UHFFFAOYSA-N 1 0 239.334 3.692 20 0 BHADRO FCCCCC[NH+]1C2CCCC1CCC2 ZINC000671241275 487873457 /nfs/dbraw/zinc/87/34/57/487873457.db2.gz HAYUPTFKHIDXAY-UHFFFAOYSA-N 1 0 213.340 3.533 20 0 BHADRO FCCCCC[N@@H+]1CCCc2ccccc2C1 ZINC000671241428 487873341 /nfs/dbraw/zinc/87/33/41/487873341.db2.gz TXHGHTQBHRYVBY-UHFFFAOYSA-N 1 0 235.346 3.575 20 0 BHADRO FCCCCC[N@@H+]1CCCc2sccc2C1 ZINC000671241435 487873472 /nfs/dbraw/zinc/87/34/72/487873472.db2.gz TYMUKZJLHDDRRQ-UHFFFAOYSA-N 1 0 241.375 3.636 20 0 BHADRO FCCCCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000671241880 487874352 /nfs/dbraw/zinc/87/43/52/487874352.db2.gz NSQYHFYXKHBPOV-AWEZNQCLSA-N 1 0 239.309 3.712 20 0 BHADRO FCCCCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000671241881 487874849 /nfs/dbraw/zinc/87/48/49/487874849.db2.gz NSQYHFYXKHBPOV-CQSZACIVSA-N 1 0 239.309 3.712 20 0 BHADRO COCCCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245432 487888902 /nfs/dbraw/zinc/88/89/02/487888902.db2.gz BMYNKEXUANTHGA-UHFFFAOYSA-N 1 0 249.398 3.670 20 0 BHADRO C[N@H+](CCOC(C)(C)C)C(C)(C)c1ccccc1 ZINC000671245437 487888687 /nfs/dbraw/zinc/88/86/87/487888687.db2.gz DQGOUXYKSRYXEX-UHFFFAOYSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCOCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245509 487888893 /nfs/dbraw/zinc/88/88/93/487888893.db2.gz DMNCFCYDTMMSCP-UHFFFAOYSA-N 1 0 249.398 3.670 20 0 BHADRO CCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245548 487888661 /nfs/dbraw/zinc/88/86/61/487888661.db2.gz DUOAXOKFDOEIHE-UHFFFAOYSA-N 1 0 205.345 3.654 20 0 BHADRO C[N@H+](CCC1CC1)C(C)(C)c1ccccc1 ZINC000671245635 487888513 /nfs/dbraw/zinc/88/85/13/487888513.db2.gz IPSRPUBNGAWAKA-UHFFFAOYSA-N 1 0 217.356 3.654 20 0 BHADRO C[N@H+](CCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000671245710 487888585 /nfs/dbraw/zinc/88/85/85/487888585.db2.gz KZSKZZZAKCIGTR-UHFFFAOYSA-N 1 0 245.288 3.806 20 0 BHADRO CC(C)COCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245730 487888787 /nfs/dbraw/zinc/88/87/87/487888787.db2.gz LTMYAKAGZLTVLW-UHFFFAOYSA-N 1 0 249.398 3.526 20 0 BHADRO CC(C)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245861 487889518 /nfs/dbraw/zinc/88/95/18/487889518.db2.gz JYNLVPVJWSCYJD-UHFFFAOYSA-N 1 0 205.345 3.510 20 0 BHADRO CC(C)OCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245898 487889728 /nfs/dbraw/zinc/88/97/28/487889728.db2.gz KVFPCUDBFRCJEY-UHFFFAOYSA-N 1 0 249.398 3.669 20 0 BHADRO C[N@H+](CCCCCF)C(C)(C)c1ccccc1 ZINC000671246018 487890317 /nfs/dbraw/zinc/89/03/17/487890317.db2.gz NCGHXACUJNACIQ-UHFFFAOYSA-N 1 0 237.362 3.993 20 0 BHADRO C[N@H+]([C@H]1C=CCCC1)C(C)(C)c1ccccc1 ZINC000671246282 487890247 /nfs/dbraw/zinc/89/02/47/487890247.db2.gz FMIDEYULYFXVGN-HNNXBMFYSA-N 1 0 229.367 3.962 20 0 BHADRO C[N@H+]([C@@H]1C=CCCC1)C(C)(C)c1ccccc1 ZINC000671246283 487890784 /nfs/dbraw/zinc/89/07/84/487890784.db2.gz FMIDEYULYFXVGN-OAHLLOKOSA-N 1 0 229.367 3.962 20 0 BHADRO C[N@H+](CC1CCC1)C(C)(C)c1ccccc1 ZINC000671246299 487890153 /nfs/dbraw/zinc/89/01/53/487890153.db2.gz QLRMFEGQGBWMCV-UHFFFAOYSA-N 1 0 217.356 3.654 20 0 BHADRO COC(C)(C)CC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671246589 487891465 /nfs/dbraw/zinc/89/14/65/487891465.db2.gz LMQBZBBWBAGIGS-UHFFFAOYSA-N 1 0 249.398 3.669 20 0 BHADRO FC(F)(F)CC1CC[NH+](C2CCCC2)CC1 ZINC000671253138 487907997 /nfs/dbraw/zinc/90/79/97/487907997.db2.gz FJIPLYKMYJBLJK-UHFFFAOYSA-N 1 0 235.293 3.593 20 0 BHADRO c1ccc(C2=CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000671253960 487909301 /nfs/dbraw/zinc/90/93/01/487909301.db2.gz ZGYZKQREFGJLPE-UHFFFAOYSA-N 1 0 227.351 3.718 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000671280694 488032036 /nfs/dbraw/zinc/03/20/36/488032036.db2.gz FPERKHJYNWGYSN-UHFFFAOYSA-N 1 0 219.372 3.898 20 0 BHADRO CC(C)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000671282381 488047992 /nfs/dbraw/zinc/04/79/92/488047992.db2.gz PKDYMXIFUAPDHC-UHFFFAOYSA-N 1 0 243.350 3.938 20 0 BHADRO CC(C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000671290339 488119334 /nfs/dbraw/zinc/11/93/34/488119334.db2.gz UWBOZCIAURZGGZ-UHFFFAOYSA-N 1 0 227.351 3.928 20 0 BHADRO CCC1CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000671294360 488169253 /nfs/dbraw/zinc/16/92/53/488169253.db2.gz ONXXLZNWUIZDQX-MOQPWLNLSA-N 1 0 229.367 3.916 20 0 BHADRO CCC1CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000671294361 488169119 /nfs/dbraw/zinc/16/91/19/488169119.db2.gz ONXXLZNWUIZDQX-VDSRIPIWSA-N 1 0 229.367 3.916 20 0 BHADRO CCC1CC([NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000671294434 488169456 /nfs/dbraw/zinc/16/94/56/488169456.db2.gz GDRNHFLJWIMZHA-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)c1ccncc1 ZINC000671297318 487477020 /nfs/dbraw/zinc/47/70/20/487477020.db2.gz LFJBRWRBIZMXIV-KBPBESRZSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000671297320 487476795 /nfs/dbraw/zinc/47/67/95/487476795.db2.gz LFJBRWRBIZMXIV-KGLIPLIRSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C)c1ccncc1 ZINC000671297323 487476916 /nfs/dbraw/zinc/47/69/16/487476916.db2.gz LFJBRWRBIZMXIV-UONOGXRCSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000671297326 487476678 /nfs/dbraw/zinc/47/66/78/487476678.db2.gz LFJBRWRBIZMXIV-ZIAGYGMSSA-N 1 0 248.414 3.990 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]CCC1CC1)C1CC1 ZINC000671297946 487489947 /nfs/dbraw/zinc/48/99/47/487489947.db2.gz DFSGWDGQGDZKHQ-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC000671297948 487490025 /nfs/dbraw/zinc/49/00/25/487490025.db2.gz DFSGWDGQGDZKHQ-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)ccc1F ZINC000671297968 487490732 /nfs/dbraw/zinc/49/07/32/487490732.db2.gz HXSHHWIWALOOAB-BXUZGUMPSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H]2CCC2(C)C)ccc1F ZINC000671297972 487490793 /nfs/dbraw/zinc/49/07/93/487490793.db2.gz HXSHHWIWALOOAB-FZMZJTMJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCC2(C)C)ccc1F ZINC000671297975 487490971 /nfs/dbraw/zinc/49/09/71/487490971.db2.gz HXSHHWIWALOOAB-RISCZKNCSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC2(C)C)ccc1F ZINC000671297977 487490717 /nfs/dbraw/zinc/49/07/17/487490717.db2.gz HXSHHWIWALOOAB-SMDDNHRTSA-N 1 0 235.346 3.973 20 0 BHADRO CCC1CC([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000671298245 487492488 /nfs/dbraw/zinc/49/24/88/487492488.db2.gz OLGWXZWAIDZTHH-UHFFFAOYSA-N 1 0 243.394 3.570 20 0 BHADRO CCC1CC([NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000671298381 487493107 /nfs/dbraw/zinc/49/31/07/487493107.db2.gz YYIMECHBOFOKMM-KPPDAEKUSA-N 1 0 239.309 3.804 20 0 BHADRO CCC1CC([NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000671298382 487493767 /nfs/dbraw/zinc/49/37/67/487493767.db2.gz YYIMECHBOFOKMM-WHXUTIOJSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)OC1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000671298421 487493145 /nfs/dbraw/zinc/49/31/45/487493145.db2.gz GWXYEYSUXUCLEN-JXQTWKCFSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)OC1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000671298422 487493586 /nfs/dbraw/zinc/49/35/86/487493586.db2.gz GWXYEYSUXUCLEN-RUXDESIVSA-N 1 0 239.403 3.501 20 0 BHADRO CCC1CC([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC000671299907 487518601 /nfs/dbraw/zinc/51/86/01/487518601.db2.gz ZPVBCMNWRFJNFJ-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1CC([NH2+]CCc2ccc(SC)cc2)C1 ZINC000671300383 487522948 /nfs/dbraw/zinc/52/29/48/487522948.db2.gz LEWXPWRXLLUMST-UHFFFAOYSA-N 1 0 249.423 3.729 20 0 BHADRO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000671300993 487550946 /nfs/dbraw/zinc/55/09/46/487550946.db2.gz AORDFSQBFBQLAR-INIZCTEOSA-N 1 0 247.382 3.878 20 0 BHADRO CCOc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000671300994 487551002 /nfs/dbraw/zinc/55/10/02/487551002.db2.gz AORDFSQBFBQLAR-MRXNPFEDSA-N 1 0 247.382 3.878 20 0 BHADRO Cc1ccc(C[N@@H+](C)CC(C(C)C)C(C)C)nc1 ZINC000671307728 487622516 /nfs/dbraw/zinc/62/25/16/487622516.db2.gz KCAMGZQGANESLD-UHFFFAOYSA-N 1 0 248.414 3.750 20 0 BHADRO C[N@H+](Cc1cccc(F)c1)C1CCCCCC1 ZINC000671308522 487623635 /nfs/dbraw/zinc/62/36/35/487623635.db2.gz HQWYEWJKYFMWRF-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO C[N@H+](Cc1ccc(F)cc1)C1CCCCCC1 ZINC000671308536 487623667 /nfs/dbraw/zinc/62/36/67/487623667.db2.gz KUPKIKDSSJUNEX-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO C[N@H+](Cc1ccco1)C(C)(C)c1ccccc1 ZINC000671309170 487625448 /nfs/dbraw/zinc/62/54/48/487625448.db2.gz FMKYAWQPPJSDSV-UHFFFAOYSA-N 1 0 229.323 3.647 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671309180 487625337 /nfs/dbraw/zinc/62/53/37/487625337.db2.gz GUOSHLNMEMLVMU-CHWSQXEVSA-N 1 0 217.356 3.510 20 0 BHADRO C[C@@H]1C[C@H]1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671309181 487625018 /nfs/dbraw/zinc/62/50/18/487625018.db2.gz GUOSHLNMEMLVMU-OLZOCXBDSA-N 1 0 217.356 3.510 20 0 BHADRO C[C@H]1C[C@@H]1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671309182 487625411 /nfs/dbraw/zinc/62/54/11/487625411.db2.gz GUOSHLNMEMLVMU-QWHCGFSZSA-N 1 0 217.356 3.510 20 0 BHADRO C[C@H]1C[C@H]1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671309183 487625273 /nfs/dbraw/zinc/62/52/73/487625273.db2.gz GUOSHLNMEMLVMU-STQMWFEESA-N 1 0 217.356 3.510 20 0 BHADRO C[N@H+](Cc1cncs1)C(C)(C)c1ccccc1 ZINC000671309215 487624984 /nfs/dbraw/zinc/62/49/84/487624984.db2.gz KQIFEZQKPJRCEY-UHFFFAOYSA-N 1 0 246.379 3.510 20 0 BHADRO C[N@H+](C[C@H]1CCSC1)C(C)(C)c1ccccc1 ZINC000671309312 487625305 /nfs/dbraw/zinc/62/53/05/487625305.db2.gz SYWPKJGGARMTDA-CYBMUJFWSA-N 1 0 249.423 3.607 20 0 BHADRO C[N@H+](C[C@@H]1CCSC1)C(C)(C)c1ccccc1 ZINC000671309313 487624840 /nfs/dbraw/zinc/62/48/40/487624840.db2.gz SYWPKJGGARMTDA-ZDUSSCGKSA-N 1 0 249.423 3.607 20 0 BHADRO Cc1ccc(C[N@@H+](C)C(C)(C)c2ccccc2)o1 ZINC000671309339 487624803 /nfs/dbraw/zinc/62/48/03/487624803.db2.gz VVVGIZPNPKGRFQ-UHFFFAOYSA-N 1 0 243.350 3.955 20 0 BHADRO Cc1ccoc1C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671309558 487625133 /nfs/dbraw/zinc/62/51/33/487625133.db2.gz PVOBRUONQSVILX-UHFFFAOYSA-N 1 0 243.350 3.955 20 0 BHADRO CCc1ccc([C@H](CC(C)C)[NH2+]CCOC)cc1 ZINC000671658469 487675552 /nfs/dbraw/zinc/67/55/52/487675552.db2.gz VPPHPRXCEPPXFD-INIZCTEOSA-N 1 0 249.398 3.572 20 0 BHADRO CCc1ccc([C@@H](CC(C)C)[NH2+]CCOC)cc1 ZINC000671658470 487675557 /nfs/dbraw/zinc/67/55/57/487675557.db2.gz VPPHPRXCEPPXFD-MRXNPFEDSA-N 1 0 249.398 3.572 20 0 BHADRO FCCCC[N@H+](C1CC1)C1CCCCC1 ZINC000671677575 487684873 /nfs/dbraw/zinc/68/48/73/487684873.db2.gz MFBHMTKRYLGSEL-UHFFFAOYSA-N 1 0 213.340 3.533 20 0 BHADRO CCC[N@H+](CCCCF)Cc1ccccc1F ZINC000671678824 487685586 /nfs/dbraw/zinc/68/55/86/487685586.db2.gz PUISFMWIFIUGOS-UHFFFAOYSA-N 1 0 241.325 3.787 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1CCCCF ZINC000671681917 487688624 /nfs/dbraw/zinc/68/86/24/487688624.db2.gz NRYDRQQESGHDID-HNNXBMFYSA-N 1 0 235.346 3.746 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCCF ZINC000671681918 487688617 /nfs/dbraw/zinc/68/86/17/487688617.db2.gz NRYDRQQESGHDID-OAHLLOKOSA-N 1 0 235.346 3.746 20 0 BHADRO FCCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000671682718 487688690 /nfs/dbraw/zinc/68/86/90/487688690.db2.gz QMWASAXBTWUHOG-UHFFFAOYSA-N 1 0 227.367 3.638 20 0 BHADRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCCF ZINC000671683609 487689649 /nfs/dbraw/zinc/68/96/49/487689649.db2.gz JUJFOVPWEAYCER-INIZCTEOSA-N 1 0 249.373 3.992 20 0 BHADRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCCF ZINC000671683610 487689808 /nfs/dbraw/zinc/68/98/08/487689808.db2.gz JUJFOVPWEAYCER-MRXNPFEDSA-N 1 0 249.373 3.992 20 0 BHADRO FCCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000671684322 487689804 /nfs/dbraw/zinc/68/98/04/487689804.db2.gz HKYKVPFNCGMUKQ-UHFFFAOYSA-N 1 0 239.309 3.544 20 0 BHADRO C[N@H+](CCCCF)C(C)(C)c1ccccc1 ZINC000671692858 487694400 /nfs/dbraw/zinc/69/44/00/487694400.db2.gz ZVNRAIUBJMHNHJ-UHFFFAOYSA-N 1 0 223.335 3.603 20 0 BHADRO CCC[C@@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000671706402 487699207 /nfs/dbraw/zinc/69/92/07/487699207.db2.gz IANNGWPQKBZXQK-DUMNWFOQSA-N 1 0 239.309 3.756 20 0 BHADRO CCC[C@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000671706403 487699449 /nfs/dbraw/zinc/69/94/49/487699449.db2.gz IANNGWPQKBZXQK-MALLOTDXSA-N 1 0 239.309 3.756 20 0 BHADRO CCC[C@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000671706404 487698890 /nfs/dbraw/zinc/69/88/90/487698890.db2.gz IANNGWPQKBZXQK-QZPNVGJNSA-N 1 0 239.309 3.756 20 0 BHADRO CCC[C@@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000671706405 487699468 /nfs/dbraw/zinc/69/94/68/487699468.db2.gz IANNGWPQKBZXQK-VLWUPBBWSA-N 1 0 239.309 3.756 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccco1 ZINC000671706490 487699459 /nfs/dbraw/zinc/69/94/59/487699459.db2.gz BKFBIVXTHQLZNY-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccco1 ZINC000671706491 487698988 /nfs/dbraw/zinc/69/89/88/487698988.db2.gz BKFBIVXTHQLZNY-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc2occc2c1 ZINC000671707459 487700911 /nfs/dbraw/zinc/70/09/11/487700911.db2.gz AQRQSYHTKTYSSQ-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO C[C@H](C[NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000671707560 487700713 /nfs/dbraw/zinc/70/07/13/487700713.db2.gz BKLQOZBKXFDIGS-LLVKDONJSA-N 1 0 229.323 3.569 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000671707561 487700772 /nfs/dbraw/zinc/70/07/72/487700772.db2.gz BKLQOZBKXFDIGS-NSHDSACASA-N 1 0 229.323 3.569 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)C(C)(C)C ZINC000671708765 487700681 /nfs/dbraw/zinc/70/06/81/487700681.db2.gz VUXQDKGHZKNAOM-LLVKDONJSA-N 1 0 231.339 3.957 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)C(C)(C)C ZINC000671708766 487700617 /nfs/dbraw/zinc/70/06/17/487700617.db2.gz VUXQDKGHZKNAOM-NSHDSACASA-N 1 0 231.339 3.957 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccoc1 ZINC000671716974 487700977 /nfs/dbraw/zinc/70/09/77/487700977.db2.gz DPDUAZUJCAVLSW-LLVKDONJSA-N 1 0 241.290 3.877 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccoc1 ZINC000671716975 487700326 /nfs/dbraw/zinc/70/03/26/487700326.db2.gz DPDUAZUJCAVLSW-NSHDSACASA-N 1 0 241.290 3.877 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)C1CCC1 ZINC000671717899 487705756 /nfs/dbraw/zinc/70/57/56/487705756.db2.gz VZEQEBJZVVEFPD-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)C1CCC1 ZINC000671717900 487705366 /nfs/dbraw/zinc/70/53/66/487705366.db2.gz VZEQEBJZVVEFPD-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO CC(C)C1CC([NH2+]Cc2ccc3occc3c2)C1 ZINC000671718992 487705789 /nfs/dbraw/zinc/70/57/89/487705789.db2.gz PAIVAIHVVIPXDJ-UHFFFAOYSA-N 1 0 243.350 3.957 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)ccc2o1 ZINC000671719502 487705347 /nfs/dbraw/zinc/70/53/47/487705347.db2.gz XLABGIQPRKFBPE-CFVMTHIKSA-N 1 0 241.334 3.711 20 0 BHADRO Fc1cccc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000671728055 487709661 /nfs/dbraw/zinc/70/96/61/487709661.db2.gz IDGIGPRSRGPKCV-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO FC(F)(F)CCCC[NH+]1CCC2(CCC2)CC1 ZINC000671728430 487709988 /nfs/dbraw/zinc/70/99/88/487709988.db2.gz NNMONYFBMUQADR-UHFFFAOYSA-N 1 0 249.320 3.985 20 0 BHADRO c1csc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000671728432 487710157 /nfs/dbraw/zinc/71/01/57/487710157.db2.gz MTQOONACUDZOIY-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO Fc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000671728598 487711235 /nfs/dbraw/zinc/71/12/35/487711235.db2.gz XPUAZEUZXDELEF-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1CCC2(CCC2)CC1 ZINC000671728730 487711405 /nfs/dbraw/zinc/71/14/05/487711405.db2.gz BNIIWAJQSGYBAU-INIZCTEOSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH+]1CCC2(CCC2)CC1 ZINC000671728731 487710907 /nfs/dbraw/zinc/71/09/07/487710907.db2.gz BNIIWAJQSGYBAU-MRXNPFEDSA-N 1 0 241.378 3.940 20 0 BHADRO Fc1ccccc1C[NH+]1CCC2(CCC2)CC1 ZINC000671728749 487711111 /nfs/dbraw/zinc/71/11/11/487711111.db2.gz CPZCCCTZKJIYPW-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO Fc1ccccc1CC[NH+]1CCC2(CCC2)CC1 ZINC000671729014 487711168 /nfs/dbraw/zinc/71/11/68/487711168.db2.gz BWTNSCAXAHLIKQ-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO C(=C/c1ccccc1)\C[NH+]1CCC2(CCC2)CC1 ZINC000671729315 487712287 /nfs/dbraw/zinc/71/22/87/487712287.db2.gz BGKMBUKIYFARRM-XBXARRHUSA-N 1 0 241.378 3.966 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CCC2(CCC2)CC1 ZINC000671729316 487712470 /nfs/dbraw/zinc/71/24/70/487712470.db2.gz BGKMBUKIYFARRM-YWEYNIOJSA-N 1 0 241.378 3.966 20 0 BHADRO Cc1ccccc1C[NH+]1CCC2(CCC2)CC1 ZINC000671729714 487711989 /nfs/dbraw/zinc/71/19/89/487711989.db2.gz UAERQYYMCYPWHK-UHFFFAOYSA-N 1 0 229.367 3.761 20 0 BHADRO c1cc(CCC[NH+]2CCC3(CCC3)CC2)cs1 ZINC000671729739 487712243 /nfs/dbraw/zinc/71/22/43/487712243.db2.gz WFIZVFCWPJDFRE-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CC/C=C\CC[NH+]1CCC2(CCC2)CC1 ZINC000671729873 487712262 /nfs/dbraw/zinc/71/22/62/487712262.db2.gz FARDLRVAVAOVBI-ARJAWSKDSA-N 1 0 207.361 3.609 20 0 BHADRO CC/C=C/CC[NH+]1CCC2(CCC2)CC1 ZINC000671729874 487712574 /nfs/dbraw/zinc/71/25/74/487712574.db2.gz FARDLRVAVAOVBI-ONEGZZNKSA-N 1 0 207.361 3.609 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000671763803 487847371 /nfs/dbraw/zinc/84/73/71/487847371.db2.gz RIMYKMXQXDVEBG-CHWSQXEVSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000671763814 487847088 /nfs/dbraw/zinc/84/70/88/487847088.db2.gz RIMYKMXQXDVEBG-OLZOCXBDSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000671763815 487847555 /nfs/dbraw/zinc/84/75/55/487847555.db2.gz RIMYKMXQXDVEBG-QWHCGFSZSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000671763816 487847801 /nfs/dbraw/zinc/84/78/01/487847801.db2.gz RIMYKMXQXDVEBG-STQMWFEESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000671770950 487884562 /nfs/dbraw/zinc/88/45/62/487884562.db2.gz QVEFETRIKVLMQS-DMVVEVTLSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000671770951 487884609 /nfs/dbraw/zinc/88/46/09/487884609.db2.gz QVEFETRIKVLMQS-MLEONAHRSA-N 1 0 229.367 3.567 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000671770952 487884744 /nfs/dbraw/zinc/88/47/44/487884744.db2.gz QVEFETRIKVLMQS-WOOFSFRISA-N 1 0 229.367 3.567 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000671770953 487884552 /nfs/dbraw/zinc/88/45/52/487884552.db2.gz QVEFETRIKVLMQS-ZLTXHLNPSA-N 1 0 229.367 3.567 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@H]4C[C@H]43)c2c1 ZINC000672322908 488251102 /nfs/dbraw/zinc/25/11/02/488251102.db2.gz RGYFCYBZKGUPBC-BLLLJJGKSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000672322911 487898449 /nfs/dbraw/zinc/89/84/49/487898449.db2.gz RGYFCYBZKGUPBC-WBMJQRKESA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cc(N2CCC[C@@H]3C[C@@H]32)c2ccccc2[nH+]1 ZINC000672322976 487901329 /nfs/dbraw/zinc/90/13/29/487901329.db2.gz TVAYEHARNIFYKG-DOMZBBRYSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1cc(N2CCC[C@H]3C[C@H]32)c2ccccc2[nH+]1 ZINC000672322978 487901387 /nfs/dbraw/zinc/90/13/87/487901387.db2.gz TVAYEHARNIFYKG-SWLSCSKDSA-N 1 0 238.334 3.532 20 0 BHADRO C[C@@H]1CC[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000672338274 488252548 /nfs/dbraw/zinc/25/25/48/488252548.db2.gz SMBZMPGHZJWGND-BXKDBHETSA-N 1 0 230.286 3.584 20 0 BHADRO C[C@H]1CC[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000672338275 488252512 /nfs/dbraw/zinc/25/25/12/488252512.db2.gz SMBZMPGHZJWGND-CABZTGNLSA-N 1 0 230.286 3.584 20 0 BHADRO C[C@H]1CC[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000672338276 488252536 /nfs/dbraw/zinc/25/25/36/488252536.db2.gz SMBZMPGHZJWGND-JOYOIKCWSA-N 1 0 230.286 3.584 20 0 BHADRO C[C@@H]1CC[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000672338277 488252516 /nfs/dbraw/zinc/25/25/16/488252516.db2.gz SMBZMPGHZJWGND-SKDRFNHKSA-N 1 0 230.286 3.584 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000672601466 487969783 /nfs/dbraw/zinc/96/97/83/487969783.db2.gz AGGDNVGYDZDLDY-CVEARBPZSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000672601467 487969757 /nfs/dbraw/zinc/96/97/57/487969757.db2.gz AGGDNVGYDZDLDY-HOTGVXAUSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000672601468 487969696 /nfs/dbraw/zinc/96/96/96/487969696.db2.gz AGGDNVGYDZDLDY-HZPDHXFCSA-N 1 0 231.383 3.788 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000672601469 487969789 /nfs/dbraw/zinc/96/97/89/487969789.db2.gz AGGDNVGYDZDLDY-JKSUJKDBSA-N 1 0 231.383 3.788 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000672601482 488261211 /nfs/dbraw/zinc/26/12/11/488261211.db2.gz BVRJZBMPEZWUAF-HEHGZKQESA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000672601483 488261329 /nfs/dbraw/zinc/26/13/29/488261329.db2.gz BVRJZBMPEZWUAF-WOSRLPQWSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000672601484 488261179 /nfs/dbraw/zinc/26/11/79/488261179.db2.gz BVRJZBMPEZWUAF-XEZPLFJOSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000672601485 488261386 /nfs/dbraw/zinc/26/13/86/488261386.db2.gz BVRJZBMPEZWUAF-ZENOOKHLSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000672601798 488261190 /nfs/dbraw/zinc/26/11/90/488261190.db2.gz SXBOYTSSUYZGID-DZGCQCFKSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000672601801 488261147 /nfs/dbraw/zinc/26/11/47/488261147.db2.gz SXBOYTSSUYZGID-HIFRSBDPSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000672601802 488261488 /nfs/dbraw/zinc/26/14/88/488261488.db2.gz SXBOYTSSUYZGID-UKRRQHHQSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000672601803 488261208 /nfs/dbraw/zinc/26/12/08/488261208.db2.gz SXBOYTSSUYZGID-ZFWWWQNUSA-N 1 0 231.383 3.742 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000672602851 487997340 /nfs/dbraw/zinc/99/73/40/487997340.db2.gz GEDLNUDVHNAFMV-BYCMXARLSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000672602852 487997303 /nfs/dbraw/zinc/99/73/03/487997303.db2.gz GEDLNUDVHNAFMV-DFBGVHRSSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000672602853 487997396 /nfs/dbraw/zinc/99/73/96/487997396.db2.gz GEDLNUDVHNAFMV-KCPJHIHWSA-N 1 0 247.407 3.753 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000672602854 487997286 /nfs/dbraw/zinc/99/72/86/487997286.db2.gz GEDLNUDVHNAFMV-UGFHNGPFSA-N 1 0 247.407 3.753 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccccn1 ZINC000672603185 582809470 /nfs/dbraw/zinc/80/94/70/582809470.db2.gz CLUMKEHSIRCBNJ-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccccn1 ZINC000672603186 582809912 /nfs/dbraw/zinc/80/99/12/582809912.db2.gz CLUMKEHSIRCBNJ-IPYPFGDCSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccccn1 ZINC000672603187 582809551 /nfs/dbraw/zinc/80/95/51/582809551.db2.gz CLUMKEHSIRCBNJ-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccccn1 ZINC000672603188 582809307 /nfs/dbraw/zinc/80/93/07/582809307.db2.gz CLUMKEHSIRCBNJ-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000672603528 488002786 /nfs/dbraw/zinc/00/27/86/488002786.db2.gz HGTPYTGNUSUBBU-BMFZPTHFSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000672603533 488002899 /nfs/dbraw/zinc/00/28/99/488002899.db2.gz HGTPYTGNUSUBBU-FVQBIDKESA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000672603534 488003083 /nfs/dbraw/zinc/00/30/83/488003083.db2.gz HGTPYTGNUSUBBU-IMJJTQAJSA-N 1 0 243.394 3.741 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000672603535 488003149 /nfs/dbraw/zinc/00/31/49/488003149.db2.gz HGTPYTGNUSUBBU-NUEKZKHPSA-N 1 0 243.394 3.741 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000672604167 488261255 /nfs/dbraw/zinc/26/12/55/488261255.db2.gz ZNQCDQRUPMUINB-FMKPAKJESA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000672604168 488261301 /nfs/dbraw/zinc/26/13/01/488261301.db2.gz ZNQCDQRUPMUINB-IIAWOOMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000672604169 488261393 /nfs/dbraw/zinc/26/13/93/488261393.db2.gz ZNQCDQRUPMUINB-LZWOXQAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000672604170 488261195 /nfs/dbraw/zinc/26/11/95/488261195.db2.gz ZNQCDQRUPMUINB-SQWLQELKSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)c1ccncc1 ZINC000672604283 488261183 /nfs/dbraw/zinc/26/11/83/488261183.db2.gz GJLYYVQFYDXFMI-BPLDGKMQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000672604284 488261142 /nfs/dbraw/zinc/26/11/42/488261142.db2.gz GJLYYVQFYDXFMI-SNPRPXQTSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000672604285 488261144 /nfs/dbraw/zinc/26/11/44/488261144.db2.gz GJLYYVQFYDXFMI-VHDGCEQUSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)c1ccncc1 ZINC000672604286 488005549 /nfs/dbraw/zinc/00/55/49/488005549.db2.gz GJLYYVQFYDXFMI-YUELXQCFSA-N 1 0 246.398 3.599 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000672604719 488007365 /nfs/dbraw/zinc/00/73/65/488007365.db2.gz ZJZZQQNORZVHHP-DAXOMENPSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000672604720 488007494 /nfs/dbraw/zinc/00/74/94/488007494.db2.gz ZJZZQQNORZVHHP-KCXAZCMYSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000672604721 488007371 /nfs/dbraw/zinc/00/73/71/488007371.db2.gz ZJZZQQNORZVHHP-UHOFOFEASA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000672604722 488007501 /nfs/dbraw/zinc/00/75/01/488007501.db2.gz ZJZZQQNORZVHHP-WQVCFCJDSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000672604875 488261175 /nfs/dbraw/zinc/26/11/75/488261175.db2.gz XEMFCKJNADEANC-CKEIUWERSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000672604876 488261428 /nfs/dbraw/zinc/26/14/28/488261428.db2.gz XEMFCKJNADEANC-CPUCHLNUSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000672604877 488261186 /nfs/dbraw/zinc/26/11/86/488261186.db2.gz XEMFCKJNADEANC-JJRVBVJISA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000672604878 488261248 /nfs/dbraw/zinc/26/12/48/488261248.db2.gz XEMFCKJNADEANC-VBQJREDUSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]C1CCC(OC(C)C)CC1 ZINC000672605426 488007765 /nfs/dbraw/zinc/00/77/65/488007765.db2.gz DIPOCTDHNBJUFF-PPWQZUPISA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCC(OC(C)C)CC1 ZINC000672605427 488008185 /nfs/dbraw/zinc/00/81/85/488008185.db2.gz DIPOCTDHNBJUFF-URGYJCLVSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]C1CCC(OC(C)C)CC1 ZINC000672605428 488008282 /nfs/dbraw/zinc/00/82/82/488008282.db2.gz DIPOCTDHNBJUFF-VXGQWTEUSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C1CCC(OC(C)C)CC1 ZINC000672605429 488008369 /nfs/dbraw/zinc/00/83/69/488008369.db2.gz DIPOCTDHNBJUFF-XSCHDIRWSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000672609316 488262031 /nfs/dbraw/zinc/26/20/31/488262031.db2.gz NGJYNLHBUBXNLH-DOMZBBRYSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000672609317 488261864 /nfs/dbraw/zinc/26/18/64/488261864.db2.gz NGJYNLHBUBXNLH-IUODEOHRSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000672609318 488261629 /nfs/dbraw/zinc/26/16/29/488261629.db2.gz NGJYNLHBUBXNLH-SWLSCSKDSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000672609319 488261976 /nfs/dbraw/zinc/26/19/76/488261976.db2.gz NGJYNLHBUBXNLH-WFASDCNBSA-N 1 0 235.346 3.537 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000672614760 488029492 /nfs/dbraw/zinc/02/94/92/488029492.db2.gz GEBADETZPRUWLU-BNDIWNMDSA-N 1 0 245.357 3.690 20 0 BHADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000672614761 488029528 /nfs/dbraw/zinc/02/95/28/488029528.db2.gz GEBADETZPRUWLU-LBELIVKGSA-N 1 0 245.357 3.690 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCC1 ZINC000672614907 491129041 /nfs/dbraw/zinc/12/90/41/491129041.db2.gz IGPJVFHFKVRBQL-AVGNSLFASA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CCCCC1 ZINC000672614908 491129030 /nfs/dbraw/zinc/12/90/30/491129030.db2.gz IGPJVFHFKVRBQL-XQQFMLRXSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C1CCC(F)(F)CC1 ZINC000672615998 488261954 /nfs/dbraw/zinc/26/19/54/488261954.db2.gz GOQGXNFQSNMJLZ-CMPLNLGQSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)C1CCC(F)(F)CC1 ZINC000672615999 488261838 /nfs/dbraw/zinc/26/18/38/488261838.db2.gz GOQGXNFQSNMJLZ-JQWIXIFHSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C1CCC(F)(F)CC1 ZINC000672616000 488261869 /nfs/dbraw/zinc/26/18/69/488261869.db2.gz GOQGXNFQSNMJLZ-PWSUYJOCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C1CCC(F)(F)CC1 ZINC000672616001 488261994 /nfs/dbraw/zinc/26/19/94/488261994.db2.gz GOQGXNFQSNMJLZ-ZYHUDNBSSA-N 1 0 245.357 3.979 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC1(F)CCC1 ZINC000672616927 488262283 /nfs/dbraw/zinc/26/22/83/488262283.db2.gz JHOZQGFRUZBNCR-HNNXBMFYSA-N 1 0 247.357 3.854 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC1(F)CCC1 ZINC000672616928 488262401 /nfs/dbraw/zinc/26/24/01/488262401.db2.gz JHOZQGFRUZBNCR-OAHLLOKOSA-N 1 0 247.357 3.854 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H](C)CC1CCC1 ZINC000672616984 488262425 /nfs/dbraw/zinc/26/24/25/488262425.db2.gz YPOXGKQGCPOENX-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H](C)CC1CCC1 ZINC000672616985 488262202 /nfs/dbraw/zinc/26/22/02/488262202.db2.gz YPOXGKQGCPOENX-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@H](C)CCC1CC1 ZINC000672617025 488033511 /nfs/dbraw/zinc/03/35/11/488033511.db2.gz VHSDFHLKADUUEA-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO COCC(C)(C)CCC[NH2+][C@@H](C)CCC1CC1 ZINC000672617026 488033771 /nfs/dbraw/zinc/03/37/71/488033771.db2.gz VHSDFHLKADUUEA-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@H]1C ZINC000672617105 488262511 /nfs/dbraw/zinc/26/25/11/488262511.db2.gz MIOAHMJWNYLSRP-FQKPHLNHSA-N 1 0 241.394 3.927 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@@H]1C ZINC000672617106 488262399 /nfs/dbraw/zinc/26/23/99/488262399.db2.gz MIOAHMJWNYLSRP-LXFSFDBISA-N 1 0 241.394 3.927 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H]1C ZINC000672617107 488262328 /nfs/dbraw/zinc/26/23/28/488262328.db2.gz MIOAHMJWNYLSRP-QMIVOQANSA-N 1 0 241.394 3.927 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@@H]1C ZINC000672617108 488262195 /nfs/dbraw/zinc/26/21/95/488262195.db2.gz MIOAHMJWNYLSRP-ZQNQSHIBSA-N 1 0 241.394 3.927 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000672621644 488066845 /nfs/dbraw/zinc/06/68/45/488066845.db2.gz CLZVATXAHCJZEP-QJPTWQEYSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000672621645 488066510 /nfs/dbraw/zinc/06/65/10/488066510.db2.gz CLZVATXAHCJZEP-SDDRHHMPSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000672621646 488066963 /nfs/dbraw/zinc/06/69/63/488066963.db2.gz CLZVATXAHCJZEP-SRVKXCTJSA-N 1 0 249.320 3.682 20 0 BHADRO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000672621647 488066922 /nfs/dbraw/zinc/06/69/22/488066922.db2.gz CLZVATXAHCJZEP-TUAOUCFPSA-N 1 0 249.320 3.682 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000672622941 488262460 /nfs/dbraw/zinc/26/24/60/488262460.db2.gz ZOZMBVPIDMCJEM-AGIUHOORSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000672622942 488262507 /nfs/dbraw/zinc/26/25/07/488262507.db2.gz ZOZMBVPIDMCJEM-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000672622943 488262308 /nfs/dbraw/zinc/26/23/08/488262308.db2.gz ZOZMBVPIDMCJEM-UPJWGTAASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000672622944 488262443 /nfs/dbraw/zinc/26/24/43/488262443.db2.gz ZOZMBVPIDMCJEM-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C)CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000672623149 488262427 /nfs/dbraw/zinc/26/24/27/488262427.db2.gz JKXUDKHROPJNBE-HSOILSAZSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000672623150 488078377 /nfs/dbraw/zinc/07/83/77/488078377.db2.gz JKXUDKHROPJNBE-YVNMAJEFSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000672779972 488266276 /nfs/dbraw/zinc/26/62/76/488266276.db2.gz VDHAEAQAFGHZOL-UHFFFAOYSA-N 1 0 233.330 3.571 20 0 BHADRO Cc1ccsc1C[N@@H+](C)CCC(C)C ZINC000673084484 488276220 /nfs/dbraw/zinc/27/62/20/488276220.db2.gz JSKSAYJLEUJKBS-UHFFFAOYSA-N 1 0 211.374 3.534 20 0 BHADRO CC[N@H+](CCC(C)C)Cc1cccc(F)c1 ZINC000673085201 488276315 /nfs/dbraw/zinc/27/63/15/488276315.db2.gz UIBILVYXGNNHJQ-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO Cc1ccc(C[N@@H+](C)CCC(C)C)c(C)c1 ZINC000673085511 488276012 /nfs/dbraw/zinc/27/60/12/488276012.db2.gz SLDLBYLXIGWTJW-UHFFFAOYSA-N 1 0 219.372 3.781 20 0 BHADRO CC(C)CC[N@@H+]1CCc2sccc2[C@H]1C ZINC000673091731 488276808 /nfs/dbraw/zinc/27/68/08/488276808.db2.gz VIAIQUMCONUADO-LLVKDONJSA-N 1 0 223.385 3.713 20 0 BHADRO CC(C)CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000673091732 488276643 /nfs/dbraw/zinc/27/66/43/488276643.db2.gz VIAIQUMCONUADO-NSHDSACASA-N 1 0 223.385 3.713 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000673092646 488276614 /nfs/dbraw/zinc/27/66/14/488276614.db2.gz WNRFALBKMZJRNF-GFCCVEGCSA-N 1 0 223.335 3.865 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000673092647 488276828 /nfs/dbraw/zinc/27/68/28/488276828.db2.gz WNRFALBKMZJRNF-LBPRGKRZSA-N 1 0 223.335 3.865 20 0 BHADRO CC(C)CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000673258920 488280600 /nfs/dbraw/zinc/28/06/00/488280600.db2.gz UVXUPCOMXUSOEB-UHFFFAOYSA-N 1 0 247.357 3.961 20 0 BHADRO CC(C)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000673259584 488280737 /nfs/dbraw/zinc/28/07/37/488280737.db2.gz VCPFLKOWFLFMRJ-UHFFFAOYSA-N 1 0 231.383 3.740 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000673610502 488297799 /nfs/dbraw/zinc/29/77/99/488297799.db2.gz ZJZARFXQBHTEDE-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000673610503 488297679 /nfs/dbraw/zinc/29/76/79/488297679.db2.gz ZJZARFXQBHTEDE-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000673610510 488297469 /nfs/dbraw/zinc/29/74/69/488297469.db2.gz ASVOMCLHXRAVSC-NQHOJNORSA-N 1 0 233.330 3.617 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000673610511 488297763 /nfs/dbraw/zinc/29/77/63/488297763.db2.gz ASVOMCLHXRAVSC-RDFMZFSFSA-N 1 0 233.330 3.617 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000673610512 488297582 /nfs/dbraw/zinc/29/75/82/488297582.db2.gz ASVOMCLHXRAVSC-VQTKUKTRSA-N 1 0 233.330 3.617 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000673610513 488297775 /nfs/dbraw/zinc/29/77/75/488297775.db2.gz ASVOMCLHXRAVSC-XGACYXMMSA-N 1 0 233.330 3.617 20 0 BHADRO FC1(CC[NH2+]Cc2ccccc2C2CC2)CCC1 ZINC000673611712 488298275 /nfs/dbraw/zinc/29/82/75/488298275.db2.gz OBOSGPYCBFNGIJ-UHFFFAOYSA-N 1 0 247.357 3.936 20 0 BHADRO CC(C)(C[NH2+]CCC1(F)CCC1)c1ccccc1 ZINC000673611716 488298231 /nfs/dbraw/zinc/29/82/31/488298231.db2.gz PNWQJICZYPHBEV-UHFFFAOYSA-N 1 0 249.373 3.836 20 0 BHADRO Cc1cccc(C)c1C[NH2+]CCC1(F)CCC1 ZINC000673611725 488212152 /nfs/dbraw/zinc/21/21/52/488212152.db2.gz TUBLSFUYYPLEAU-UHFFFAOYSA-N 1 0 235.346 3.675 20 0 BHADRO FC1(CC[NH2+]Cc2cc3ccccc3[nH]2)CCC1 ZINC000673612154 488298007 /nfs/dbraw/zinc/29/80/07/488298007.db2.gz MXLGZHDDXQVUJO-UHFFFAOYSA-N 1 0 246.329 3.540 20 0 BHADRO F[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000673613070 488298189 /nfs/dbraw/zinc/29/81/89/488298189.db2.gz ORNKNZXMIHHEMG-CVEARBPZSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000673613073 488298000 /nfs/dbraw/zinc/29/80/00/488298000.db2.gz ORNKNZXMIHHEMG-HOTGVXAUSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000673613074 488298234 /nfs/dbraw/zinc/29/82/34/488298234.db2.gz ORNKNZXMIHHEMG-HZPDHXFCSA-N 1 0 243.325 3.820 20 0 BHADRO F[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000673613078 488298061 /nfs/dbraw/zinc/29/80/61/488298061.db2.gz ORNKNZXMIHHEMG-JKSUJKDBSA-N 1 0 243.325 3.820 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCC1(F)F ZINC000673618387 488298295 /nfs/dbraw/zinc/29/82/95/488298295.db2.gz CSTLVNOBOPQHPH-AVGNSLFASA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCC1(F)F ZINC000673618388 488298339 /nfs/dbraw/zinc/29/83/39/488298339.db2.gz CSTLVNOBOPQHPH-RWMBFGLXSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCC1(F)F ZINC000673618389 488298033 /nfs/dbraw/zinc/29/80/33/488298033.db2.gz CSTLVNOBOPQHPH-XQQFMLRXSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCC1(F)F ZINC000673618390 488298331 /nfs/dbraw/zinc/29/83/31/488298331.db2.gz CSTLVNOBOPQHPH-YNEHKIRRSA-N 1 0 243.341 3.756 20 0 BHADRO CC1CCC(C[NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000673618897 488298432 /nfs/dbraw/zinc/29/84/32/488298432.db2.gz NNGDLHBPPFAVAI-UHFFFAOYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CF)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000673619113 488298139 /nfs/dbraw/zinc/29/81/39/488298139.db2.gz BHXBXCXGRHZIIK-CYBMUJFWSA-N 1 0 243.325 3.801 20 0 BHADRO C[C@H](CF)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000673619159 488298209 /nfs/dbraw/zinc/29/82/09/488298209.db2.gz KRNWGPFMWZMHFP-LLVKDONJSA-N 1 0 249.354 3.863 20 0 BHADRO C[C@H](CF)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000673619207 488298016 /nfs/dbraw/zinc/29/80/16/488298016.db2.gz QYARKCVPHRKJTK-XNISGKROSA-N 1 0 249.373 3.906 20 0 BHADRO C[C@H](CF)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000673619208 488297983 /nfs/dbraw/zinc/29/79/83/488297983.db2.gz QYARKCVPHRKJTK-XRGAULLZSA-N 1 0 249.373 3.906 20 0 BHADRO CC(C)C[NH+](Cc1cccs1)CC(C)C ZINC000673669386 488302059 /nfs/dbraw/zinc/30/20/59/488302059.db2.gz JJCMRANWMOMCNY-UHFFFAOYSA-N 1 0 225.401 3.862 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cccc(N(C)C)c1 ZINC000673716432 488305296 /nfs/dbraw/zinc/30/52/96/488305296.db2.gz WTENLBNOZSNVMG-UHFFFAOYSA-N 1 0 248.414 3.811 20 0 BHADRO CCCc1ccc(C[NH2+]C(C)(C)CCOC)cc1 ZINC000673811207 488307980 /nfs/dbraw/zinc/30/79/80/488307980.db2.gz LSCJMOHHNFOEPB-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO CCCc1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000673857070 488310255 /nfs/dbraw/zinc/31/02/55/488310255.db2.gz BAFTUNXAFQKTPQ-UHFFFAOYSA-N 1 0 242.366 3.599 20 0 BHADRO CC(C)C[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000673893462 488311779 /nfs/dbraw/zinc/31/17/79/488311779.db2.gz GNIRICZWWCNYLM-LLVKDONJSA-N 1 0 238.375 3.621 20 0 BHADRO CC(C)C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000673893463 488311793 /nfs/dbraw/zinc/31/17/93/488311793.db2.gz GNIRICZWWCNYLM-NSHDSACASA-N 1 0 238.375 3.621 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000673950254 487490067 /nfs/dbraw/zinc/49/00/67/487490067.db2.gz CTRKWCLSEFRMBX-DOMZBBRYSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)CCC[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000673950255 487490119 /nfs/dbraw/zinc/49/01/19/487490119.db2.gz CTRKWCLSEFRMBX-IUODEOHRSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)CCC[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000673950257 487489881 /nfs/dbraw/zinc/48/98/81/487489881.db2.gz CTRKWCLSEFRMBX-SWLSCSKDSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)CCC[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000673950259 487490156 /nfs/dbraw/zinc/49/01/56/487490156.db2.gz CTRKWCLSEFRMBX-WFASDCNBSA-N 1 0 233.355 3.534 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009055 487498070 /nfs/dbraw/zinc/49/80/70/487498070.db2.gz FAGXWCMUBOSVOF-AWEZNQCLSA-N 1 0 219.303 3.539 20 0 BHADRO CC(C)=CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009056 487497785 /nfs/dbraw/zinc/49/77/85/487497785.db2.gz FAGXWCMUBOSVOF-CQSZACIVSA-N 1 0 219.303 3.539 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]2CC2CCCC2)c1 ZINC000674009300 487497847 /nfs/dbraw/zinc/49/78/47/487497847.db2.gz GRMNSNCWYDXKQZ-HNNXBMFYSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]2CC2CCCC2)c1 ZINC000674009301 487498429 /nfs/dbraw/zinc/49/84/29/487498429.db2.gz GRMNSNCWYDXKQZ-OAHLLOKOSA-N 1 0 233.330 3.763 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000674009546 487497764 /nfs/dbraw/zinc/49/77/64/487497764.db2.gz JKOWDWNVRFWXNI-INIZCTEOSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000674009547 487497814 /nfs/dbraw/zinc/49/78/14/487497814.db2.gz JKOWDWNVRFWXNI-MRXNPFEDSA-N 1 0 241.309 3.773 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000674009620 487497719 /nfs/dbraw/zinc/49/77/19/487497719.db2.gz KSWLBBCBCSIVNH-CABCVRRESA-N 1 0 231.314 3.681 20 0 BHADRO Fc1cccc([C@@H]2CC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000674009621 487498623 /nfs/dbraw/zinc/49/86/23/487498623.db2.gz KSWLBBCBCSIVNH-GJZGRUSLSA-N 1 0 231.314 3.681 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000674009622 487498686 /nfs/dbraw/zinc/49/86/86/487498686.db2.gz KSWLBBCBCSIVNH-HUUCEWRRSA-N 1 0 231.314 3.681 20 0 BHADRO Fc1cccc([C@H]2CC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000674009623 487497689 /nfs/dbraw/zinc/49/76/89/487497689.db2.gz KSWLBBCBCSIVNH-LSDHHAIUSA-N 1 0 231.314 3.681 20 0 BHADRO CC(C)C[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000674010031 487498513 /nfs/dbraw/zinc/49/85/13/487498513.db2.gz NQILBDHKBTUCQO-AWEZNQCLSA-N 1 0 217.356 3.726 20 0 BHADRO CC(C)C[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000674010037 487498414 /nfs/dbraw/zinc/49/84/14/487498414.db2.gz NQILBDHKBTUCQO-CQSZACIVSA-N 1 0 217.356 3.726 20 0 BHADRO CCCCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674011046 487497954 /nfs/dbraw/zinc/49/79/54/487497954.db2.gz UGRMDHVUCWICST-AWEZNQCLSA-N 1 0 221.319 3.763 20 0 BHADRO CCCCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674011050 487498543 /nfs/dbraw/zinc/49/85/43/487498543.db2.gz UGRMDHVUCWICST-CQSZACIVSA-N 1 0 221.319 3.763 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013264 487501160 /nfs/dbraw/zinc/50/11/60/487501160.db2.gz MSSBWHZHTGNFRE-AWEZNQCLSA-N 1 0 221.319 3.619 20 0 BHADRO CC(C)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013265 487501413 /nfs/dbraw/zinc/50/14/13/487501413.db2.gz MSSBWHZHTGNFRE-CQSZACIVSA-N 1 0 221.319 3.619 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000674046571 487503914 /nfs/dbraw/zinc/50/39/14/487503914.db2.gz VMATWWVGDRUBKB-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000674046572 487504363 /nfs/dbraw/zinc/50/43/63/487504363.db2.gz VMATWWVGDRUBKB-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000674047239 487503461 /nfs/dbraw/zinc/50/34/61/487503461.db2.gz IBOMEAXPKJUYMR-BBRMVZONSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000674047240 487504161 /nfs/dbraw/zinc/50/41/61/487504161.db2.gz IBOMEAXPKJUYMR-CJNGLKHVSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000674047241 487503487 /nfs/dbraw/zinc/50/34/87/487503487.db2.gz IBOMEAXPKJUYMR-CZUORRHYSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000674047242 487504078 /nfs/dbraw/zinc/50/40/78/487504078.db2.gz IBOMEAXPKJUYMR-XJKSGUPXSA-N 1 0 238.334 3.590 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C1CC1 ZINC000674047374 487503635 /nfs/dbraw/zinc/50/36/35/487503635.db2.gz JUKPZZLVOXNKNG-GFCCVEGCSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C1CC1 ZINC000674047376 487504315 /nfs/dbraw/zinc/50/43/15/487504315.db2.gz JUKPZZLVOXNKNG-LBPRGKRZSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1ccncc1 ZINC000674047518 487504048 /nfs/dbraw/zinc/50/40/48/487504048.db2.gz KSSQVHNXSAQGQX-CHWSQXEVSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1ccncc1 ZINC000674047519 487503793 /nfs/dbraw/zinc/50/37/93/487503793.db2.gz KSSQVHNXSAQGQX-OLZOCXBDSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1ccncc1 ZINC000674047520 487503919 /nfs/dbraw/zinc/50/39/19/487503919.db2.gz KSSQVHNXSAQGQX-QWHCGFSZSA-N 1 0 220.360 3.511 20 0 BHADRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1ccncc1 ZINC000674047521 487504069 /nfs/dbraw/zinc/50/40/69/487504069.db2.gz KSSQVHNXSAQGQX-STQMWFEESA-N 1 0 220.360 3.511 20 0 BHADRO Cc1ccc(CCC[NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000674047750 487503754 /nfs/dbraw/zinc/50/37/54/487503754.db2.gz UCOHDQFMPIHSDM-AWEZNQCLSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CCC[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000674047751 487504293 /nfs/dbraw/zinc/50/42/93/487504293.db2.gz UCOHDQFMPIHSDM-CQSZACIVSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)c1ccccc1)C1CC1 ZINC000674047758 487504297 /nfs/dbraw/zinc/50/42/97/487504297.db2.gz UKERCEGYIWVTDH-CYBMUJFWSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)c1ccccc1)C1CC1 ZINC000674047759 487503711 /nfs/dbraw/zinc/50/37/11/487503711.db2.gz UKERCEGYIWVTDH-ZDUSSCGKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000674048386 487503670 /nfs/dbraw/zinc/50/36/70/487503670.db2.gz MQLUUASRRHAQJF-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000674048387 487503874 /nfs/dbraw/zinc/50/38/74/487503874.db2.gz MQLUUASRRHAQJF-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000674048514 487504089 /nfs/dbraw/zinc/50/40/89/487504089.db2.gz UZKXBMFEYNUMQR-LLVKDONJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000674048515 487503660 /nfs/dbraw/zinc/50/36/60/487503660.db2.gz UZKXBMFEYNUMQR-NSHDSACASA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)C1CC1 ZINC000674048971 487505294 /nfs/dbraw/zinc/50/52/94/487505294.db2.gz HSXAXSVJNFDSPG-BLLLJJGKSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C1CC1 ZINC000674048972 487504718 /nfs/dbraw/zinc/50/47/18/487504718.db2.gz HSXAXSVJNFDSPG-LRDDRELGSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)C1CC1 ZINC000674048973 487505474 /nfs/dbraw/zinc/50/54/74/487505474.db2.gz HSXAXSVJNFDSPG-MLGOLLRUSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C1CC1 ZINC000674048974 487505022 /nfs/dbraw/zinc/50/50/22/487505022.db2.gz HSXAXSVJNFDSPG-WBMJQRKESA-N 1 0 229.367 3.916 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+][C@H](C)C2CC2)C2CC2)c1 ZINC000674049454 487504978 /nfs/dbraw/zinc/50/49/78/487504978.db2.gz NCRNEWUWASJWRH-CXAGYDPISA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@H](C)C2CC2)C2CC2)c1 ZINC000674049455 487505082 /nfs/dbraw/zinc/50/50/82/487505082.db2.gz NCRNEWUWASJWRH-DYVFJYSZSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@H]([NH2+][C@@H](C)C2CC2)C2CC2)c1 ZINC000674049456 487505520 /nfs/dbraw/zinc/50/55/20/487505520.db2.gz NCRNEWUWASJWRH-GUYCJALGSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+][C@@H](C)C2CC2)C2CC2)c1 ZINC000674049457 487504912 /nfs/dbraw/zinc/50/49/12/487504912.db2.gz NCRNEWUWASJWRH-SUMWQHHRSA-N 1 0 243.394 3.704 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)cc(C)c1F ZINC000674049480 487505095 /nfs/dbraw/zinc/50/50/95/487505095.db2.gz OGSHKSZDDKFNTN-NEPJUHHUSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc(C)c1F ZINC000674049481 487505388 /nfs/dbraw/zinc/50/53/88/487505388.db2.gz OGSHKSZDDKFNTN-NWDGAFQWSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)cc(C)c1F ZINC000674049482 487505044 /nfs/dbraw/zinc/50/50/44/487505044.db2.gz OGSHKSZDDKFNTN-RYUDHWBXSA-N 1 0 235.346 3.892 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)cc(C)c1F ZINC000674049483 487505546 /nfs/dbraw/zinc/50/55/46/487505546.db2.gz OGSHKSZDDKFNTN-VXGBXAGGSA-N 1 0 235.346 3.892 20 0 BHADRO CCC1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000674067671 487508923 /nfs/dbraw/zinc/50/89/23/487508923.db2.gz KLTRABIGYMMQHI-HLIUYOAVSA-N 1 0 246.398 3.744 20 0 BHADRO CCC1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000674067673 487509117 /nfs/dbraw/zinc/50/91/17/487509117.db2.gz KLTRABIGYMMQHI-VQCLRJIVSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)c2ccncc2)C1 ZINC000674070262 487510271 /nfs/dbraw/zinc/51/02/71/487510271.db2.gz NLXDKJILLAZJGU-FMKPAKJESA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccncc2)C1 ZINC000674070263 487510130 /nfs/dbraw/zinc/51/01/30/487510130.db2.gz NLXDKJILLAZJGU-IIAWOOMASA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)c2ccncc2)C1 ZINC000674070265 487509968 /nfs/dbraw/zinc/50/99/68/487509968.db2.gz NLXDKJILLAZJGU-LZWOXQAQSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)c2ccncc2)C1 ZINC000674070267 487509995 /nfs/dbraw/zinc/50/99/95/487509995.db2.gz NLXDKJILLAZJGU-SQWLQELKSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+]C1CCC(C)(C)CC1)c1ccncc1 ZINC000674071237 487509762 /nfs/dbraw/zinc/50/97/62/487509762.db2.gz WOCUIHWYSLLHLA-CYBMUJFWSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)c1ccncc1 ZINC000674071239 487509963 /nfs/dbraw/zinc/50/99/63/487509963.db2.gz WOCUIHWYSLLHLA-ZDUSSCGKSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)c1ccncc1 ZINC000674234609 487528982 /nfs/dbraw/zinc/52/89/82/487528982.db2.gz XAQNCOAJCXTTLT-KBPBESRZSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)c1ccncc1 ZINC000674234619 487528706 /nfs/dbraw/zinc/52/87/06/487528706.db2.gz XAQNCOAJCXTTLT-KGLIPLIRSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccccc1)c1ccncc1 ZINC000674234620 487529048 /nfs/dbraw/zinc/52/90/48/487529048.db2.gz XAQNCOAJCXTTLT-UONOGXRCSA-N 1 0 240.350 3.536 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccccc1 ZINC000674234622 487527509 /nfs/dbraw/zinc/52/75/09/487527509.db2.gz XAQNCOAJCXTTLT-ZIAGYGMSSA-N 1 0 240.350 3.536 20 0 BHADRO CC1(C[NH2+]Cc2ccc3cccnc3c2)CCC1 ZINC000674238398 487530360 /nfs/dbraw/zinc/53/03/60/487530360.db2.gz YLMZYKUWLYGBCP-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(O)cc1 ZINC000674284737 487545630 /nfs/dbraw/zinc/54/56/30/487545630.db2.gz YQUONBIWPKFCLW-CYBMUJFWSA-N 1 0 241.334 3.585 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(O)cc1 ZINC000674284738 487545793 /nfs/dbraw/zinc/54/57/93/487545793.db2.gz YQUONBIWPKFCLW-ZDUSSCGKSA-N 1 0 241.334 3.585 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccccc1C1CC1 ZINC000674334313 487561401 /nfs/dbraw/zinc/56/14/01/487561401.db2.gz AVJLFCFENGFHNJ-UHFFFAOYSA-N 1 0 241.334 3.755 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2ccccn2)CC1 ZINC000674335666 487562116 /nfs/dbraw/zinc/56/21/16/487562116.db2.gz PAVUPBZJONWZJF-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CCC1(C)CCC([NH2+]Cc2cccnc2C)CC1 ZINC000674335999 487561595 /nfs/dbraw/zinc/56/15/95/487561595.db2.gz VTTYUVGEZVANJX-UHFFFAOYSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)c1ccncc1 ZINC000674375859 487568529 /nfs/dbraw/zinc/56/85/29/487568529.db2.gz DMFDGGAGQQRWCG-KBPBESRZSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)c1ccncc1 ZINC000674375860 487567776 /nfs/dbraw/zinc/56/77/76/487567776.db2.gz DMFDGGAGQQRWCG-KGLIPLIRSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCCCC1)c1ccncc1 ZINC000674375862 487568918 /nfs/dbraw/zinc/56/89/18/487568918.db2.gz DMFDGGAGQQRWCG-UONOGXRCSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CCCCC1 ZINC000674375863 487567973 /nfs/dbraw/zinc/56/79/73/487567973.db2.gz DMFDGGAGQQRWCG-ZIAGYGMSSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000674389773 487569483 /nfs/dbraw/zinc/56/94/83/487569483.db2.gz WWLWWEIFTBVNMJ-UHFFFAOYSA-N 1 0 248.757 3.728 20 0 BHADRO CC(C)CC[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000674466599 487582613 /nfs/dbraw/zinc/58/26/13/487582613.db2.gz MXSTXORTQWJTEU-GFCCVEGCSA-N 1 0 225.401 3.657 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000674466603 487582483 /nfs/dbraw/zinc/58/24/83/487582483.db2.gz MXSTXORTQWJTEU-LBPRGKRZSA-N 1 0 225.401 3.657 20 0 BHADRO C[N@@H+](Cc1cc2ccccc2[nH]1)CC1CCCC1 ZINC000674505198 487590047 /nfs/dbraw/zinc/59/00/47/487590047.db2.gz BUWWQCDSRWVMSG-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO COc1ccccc1C[NH+](CC(C)C)CC(C)C ZINC000674670028 487602912 /nfs/dbraw/zinc/60/29/12/487602912.db2.gz YQGYTMZAHATJOA-UHFFFAOYSA-N 1 0 249.398 3.809 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccccc1 ZINC000674694043 487607755 /nfs/dbraw/zinc/60/77/55/487607755.db2.gz QVBQAHFBLFYEPA-UHFFFAOYSA-N 1 0 205.345 3.555 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000674711124 487607676 /nfs/dbraw/zinc/60/76/76/487607676.db2.gz PLDMKCUBQQWTNZ-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000674711125 487607308 /nfs/dbraw/zinc/60/73/08/487607308.db2.gz PLDMKCUBQQWTNZ-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C/C=C\c1ccccc1 ZINC000674711198 487607870 /nfs/dbraw/zinc/60/78/70/487607870.db2.gz UFVFEZBAWAXOLC-BMWLXYDHSA-N 1 0 241.334 3.514 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C/C=C/c1ccccc1 ZINC000674711199 487607025 /nfs/dbraw/zinc/60/70/25/487607025.db2.gz UFVFEZBAWAXOLC-GPAKFWEMSA-N 1 0 241.334 3.514 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C/C=C/c1ccccc1 ZINC000674711200 487607716 /nfs/dbraw/zinc/60/77/16/487607716.db2.gz UFVFEZBAWAXOLC-LHRNQBEKSA-N 1 0 241.334 3.514 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C/C=C\c1ccccc1 ZINC000674711201 487607274 /nfs/dbraw/zinc/60/72/74/487607274.db2.gz UFVFEZBAWAXOLC-PODYEWJSSA-N 1 0 241.334 3.514 20 0 BHADRO CC(C)CC[NH+](CCC(C)C)Cc1ccno1 ZINC000674714482 487608390 /nfs/dbraw/zinc/60/83/90/487608390.db2.gz TXTDXBNBPJXGPZ-UHFFFAOYSA-N 1 0 238.375 3.569 20 0 BHADRO C[C@@H](C[NH2+]CC1CCCCCC1)c1ccncc1 ZINC000674718242 488131618 /nfs/dbraw/zinc/13/16/18/488131618.db2.gz QHIXKOJZCUEUSK-AWEZNQCLSA-N 1 0 246.398 3.745 20 0 BHADRO C[C@H](C[NH2+]CC1CCCCCC1)c1ccncc1 ZINC000674718244 488131530 /nfs/dbraw/zinc/13/15/30/488131530.db2.gz QHIXKOJZCUEUSK-CQSZACIVSA-N 1 0 246.398 3.745 20 0 BHADRO CCc1cccc(OCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000674766607 488153119 /nfs/dbraw/zinc/15/31/19/488153119.db2.gz DJUDOEDYKCGHPY-AWEZNQCLSA-N 1 0 247.382 3.502 20 0 BHADRO CCc1cccc(OCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000674766608 488152652 /nfs/dbraw/zinc/15/26/52/488152652.db2.gz DJUDOEDYKCGHPY-CQSZACIVSA-N 1 0 247.382 3.502 20 0 BHADRO CC(C)=CC[N@H+](Cc1ccccc1)C(C)C ZINC000674767000 488153365 /nfs/dbraw/zinc/15/33/65/488153365.db2.gz ZLTJECDQBYUJNQ-UHFFFAOYSA-N 1 0 217.356 3.863 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C)ccc1OC ZINC000674767079 487615942 /nfs/dbraw/zinc/61/59/42/487615942.db2.gz YKTKQCYNDIPCEV-UHFFFAOYSA-N 1 0 235.371 3.626 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000674771288 487616078 /nfs/dbraw/zinc/61/60/78/487616078.db2.gz IUVNGNJPJRKMNE-INIZCTEOSA-N 1 0 229.367 3.962 20 0 BHADRO CC(C)=CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000674771289 487615900 /nfs/dbraw/zinc/61/59/00/487615900.db2.gz IUVNGNJPJRKMNE-MRXNPFEDSA-N 1 0 229.367 3.962 20 0 BHADRO CCC[N@@H+](Cc1cc(C)ccc1OC)CC1CC1 ZINC000674786982 487618489 /nfs/dbraw/zinc/61/84/89/487618489.db2.gz UEAVNUHPNMYSLO-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCCCC[N@H+](C)Cc1ccc(OCC)cc1 ZINC000674857534 487679114 /nfs/dbraw/zinc/67/91/14/487679114.db2.gz PQFOXBRFCSUHNN-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CCOc1ccc(C[N@H+](C)CCC(C)(C)C)cc1 ZINC000674857623 487635322 /nfs/dbraw/zinc/63/53/22/487635322.db2.gz VQYGWXQHQQKUTM-UHFFFAOYSA-N 1 0 249.398 3.953 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000674860875 487635515 /nfs/dbraw/zinc/63/55/15/487635515.db2.gz GJCHFQPWNOXKDZ-DOMZBBRYSA-N 1 0 233.355 3.575 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000674860879 487635575 /nfs/dbraw/zinc/63/55/75/487635575.db2.gz GJCHFQPWNOXKDZ-IUODEOHRSA-N 1 0 233.355 3.575 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000674860880 487635987 /nfs/dbraw/zinc/63/59/87/487635987.db2.gz GJCHFQPWNOXKDZ-SWLSCSKDSA-N 1 0 233.355 3.575 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000674860881 487635412 /nfs/dbraw/zinc/63/54/12/487635412.db2.gz GJCHFQPWNOXKDZ-WFASDCNBSA-N 1 0 233.355 3.575 20 0 BHADRO CC[C@@H](C)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000674861493 487636107 /nfs/dbraw/zinc/63/61/07/487636107.db2.gz UZSUJMFTFUJBTF-LLVKDONJSA-N 1 0 221.344 3.599 20 0 BHADRO CC[C@H](C)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000674861494 487636243 /nfs/dbraw/zinc/63/62/43/487636243.db2.gz UZSUJMFTFUJBTF-NSHDSACASA-N 1 0 221.344 3.599 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCCc2sccc2C1 ZINC000674863931 487637436 /nfs/dbraw/zinc/63/74/36/487637436.db2.gz UDDNAPIGOPOYFE-LLVKDONJSA-N 1 0 223.385 3.542 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCCc2sccc2C1 ZINC000674863933 487637101 /nfs/dbraw/zinc/63/71/01/487637101.db2.gz UDDNAPIGOPOYFE-NSHDSACASA-N 1 0 223.385 3.542 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000674864469 487636999 /nfs/dbraw/zinc/63/69/99/487636999.db2.gz PPLPHAVAXALBTN-DZGCQCFKSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000674864470 487637444 /nfs/dbraw/zinc/63/74/44/487637444.db2.gz PPLPHAVAXALBTN-HIFRSBDPSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000674864471 487637500 /nfs/dbraw/zinc/63/75/00/487637500.db2.gz PPLPHAVAXALBTN-UKRRQHHQSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000674864472 487636652 /nfs/dbraw/zinc/63/66/52/487636652.db2.gz PPLPHAVAXALBTN-ZFWWWQNUSA-N 1 0 249.423 3.823 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674866871 487637602 /nfs/dbraw/zinc/63/76/02/487637602.db2.gz VXBCFVPIZXCXHS-BXUZGUMPSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674866872 487637714 /nfs/dbraw/zinc/63/77/14/487637714.db2.gz VXBCFVPIZXCXHS-FZMZJTMJSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674866873 487637882 /nfs/dbraw/zinc/63/78/82/487637882.db2.gz VXBCFVPIZXCXHS-RISCZKNCSA-N 1 0 221.319 3.619 20 0 BHADRO CC[C@H](C)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674866874 487637779 /nfs/dbraw/zinc/63/77/79/487637779.db2.gz VXBCFVPIZXCXHS-SMDDNHRTSA-N 1 0 221.319 3.619 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000674867225 487637695 /nfs/dbraw/zinc/63/76/95/487637695.db2.gz FNNITDFOZXQVPB-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000674867226 487638425 /nfs/dbraw/zinc/63/84/25/487638425.db2.gz FNNITDFOZXQVPB-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000674867227 487638260 /nfs/dbraw/zinc/63/82/60/487638260.db2.gz FNNITDFOZXQVPB-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000674867228 487637792 /nfs/dbraw/zinc/63/77/92/487637792.db2.gz FNNITDFOZXQVPB-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674867261 487638262 /nfs/dbraw/zinc/63/82/62/487638262.db2.gz GEITXNSGMSADEX-GFCCVEGCSA-N 1 0 230.355 3.646 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674867262 487639035 /nfs/dbraw/zinc/63/90/35/487639035.db2.gz GEITXNSGMSADEX-LBPRGKRZSA-N 1 0 230.355 3.646 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000674870359 487638743 /nfs/dbraw/zinc/63/87/43/487638743.db2.gz TXIXXRSZXUQQHJ-CYBMUJFWSA-N 1 0 232.371 3.655 20 0 BHADRO CCC1(CC)CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000674870360 487638872 /nfs/dbraw/zinc/63/88/72/487638872.db2.gz TXIXXRSZXUQQHJ-ZDUSSCGKSA-N 1 0 232.371 3.655 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000674877243 487640573 /nfs/dbraw/zinc/64/05/73/487640573.db2.gz NMIQFZZAIKUOMF-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000674882089 487642156 /nfs/dbraw/zinc/64/21/56/487642156.db2.gz FOTIDYGTBMQLFJ-FMKPAKJESA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000674882090 487642007 /nfs/dbraw/zinc/64/20/07/487642007.db2.gz FOTIDYGTBMQLFJ-IIAWOOMASA-N 1 0 231.383 3.877 20 0 BHADRO CC[N@H+](CCCOC(C)(C)C)Cc1ccccc1 ZINC000674901755 487646852 /nfs/dbraw/zinc/64/68/52/487646852.db2.gz FEWLTCXVWMQIPV-UHFFFAOYSA-N 1 0 249.398 3.714 20 0 BHADRO Cc1ccccc1C[N@H+](C)CCCOC(C)(C)C ZINC000674902082 487646666 /nfs/dbraw/zinc/64/66/66/487646666.db2.gz PBVBJUNYBNOSST-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO C[N@H+](CCCOC(C)(C)C)C1CCCCCC1 ZINC000674902098 487646947 /nfs/dbraw/zinc/64/69/47/487646947.db2.gz BSEHXIINVFNFQV-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)C[N@H+](CCCOC(C)(C)C)C(C)C ZINC000674902179 487646432 /nfs/dbraw/zinc/64/64/32/487646432.db2.gz DGWVBDWWISAPSP-UHFFFAOYSA-N 1 0 229.408 3.558 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C)CCCOC(C)(C)C ZINC000674902361 487648035 /nfs/dbraw/zinc/64/80/35/487648035.db2.gz CVAYZCCPWNLHDR-AWEZNQCLSA-N 1 0 249.398 3.885 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C)CCCOC(C)(C)C ZINC000674902364 487648087 /nfs/dbraw/zinc/64/80/87/487648087.db2.gz CVAYZCCPWNLHDR-CQSZACIVSA-N 1 0 249.398 3.885 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCOC(C)(C)C)cc1 ZINC000674902569 487647841 /nfs/dbraw/zinc/64/78/41/487647841.db2.gz ZFTLVJALZVIEFE-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CC(C)CC[N@H+](CCCOC(C)(C)C)C1CC1 ZINC000674902645 487648222 /nfs/dbraw/zinc/64/82/22/487648222.db2.gz KWHITLSSHSLEOW-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCOC(C)(C)C)C1CCCCC1 ZINC000674902824 487647967 /nfs/dbraw/zinc/64/79/67/487647967.db2.gz PGSMZUFTSOHNRA-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)(C)OCCC[N@H+](C1CC1)C1CCCC1 ZINC000674902835 487648210 /nfs/dbraw/zinc/64/82/10/487648210.db2.gz PPYIAJDGIHCDNC-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO CC1CCC([N@H+](C)CCCOC(C)(C)C)CC1 ZINC000674903087 487648353 /nfs/dbraw/zinc/64/83/53/487648353.db2.gz PASUDIWHSONHDF-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO C[N@H+](CCCOC(C)(C)C)CC1CCCCC1 ZINC000674903286 487647739 /nfs/dbraw/zinc/64/77/39/487647739.db2.gz WAVVTKZCLJGMAW-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCOC(C)(C)C ZINC000674903346 487646196 /nfs/dbraw/zinc/64/61/96/487646196.db2.gz WLRWIVVJSSEAAF-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCOC(C)(C)C ZINC000674903349 487646359 /nfs/dbraw/zinc/64/63/59/487646359.db2.gz WLRWIVVJSSEAAF-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCOC(C)(C)C ZINC000674903350 487646371 /nfs/dbraw/zinc/64/63/71/487646371.db2.gz WLRWIVVJSSEAAF-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCOC(C)(C)C ZINC000674903353 487646557 /nfs/dbraw/zinc/64/65/57/487646557.db2.gz WLRWIVVJSSEAAF-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]([N@H+](C)CCCOC(C)(C)C)C(C)(C)C ZINC000674903619 487647886 /nfs/dbraw/zinc/64/78/86/487647886.db2.gz ZXRLSXJBGXMNIM-GFCCVEGCSA-N 1 0 229.408 3.558 20 0 BHADRO C[C@H]([N@H+](C)CCCOC(C)(C)C)C(C)(C)C ZINC000674903620 487647981 /nfs/dbraw/zinc/64/79/81/487647981.db2.gz ZXRLSXJBGXMNIM-LBPRGKRZSA-N 1 0 229.408 3.558 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCCOC(C)(C)C)C1 ZINC000674903622 487647729 /nfs/dbraw/zinc/64/77/29/487647729.db2.gz ZYXGBNMFKNQIEU-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCCOC(C)(C)C)C1 ZINC000674903623 487647692 /nfs/dbraw/zinc/64/76/92/487647692.db2.gz ZYXGBNMFKNQIEU-KGLIPLIRSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCCOC(C)(C)C)C1 ZINC000674903624 487647773 /nfs/dbraw/zinc/64/77/73/487647773.db2.gz ZYXGBNMFKNQIEU-UONOGXRCSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCOC(C)(C)C)C1 ZINC000674903625 487648142 /nfs/dbraw/zinc/64/81/42/487648142.db2.gz ZYXGBNMFKNQIEU-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]CCCOC(C)(C)C ZINC000674904142 487648449 /nfs/dbraw/zinc/64/84/49/487648449.db2.gz KRXUHXWXVPNGOR-UHFFFAOYSA-N 1 0 243.435 3.996 20 0 BHADRO Cc1cccc(C[N@H+](C)CCCOC(C)(C)C)c1 ZINC000674904636 487646868 /nfs/dbraw/zinc/64/68/68/487646868.db2.gz ZPWPOPNTDSYVSG-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CCC(CC)[N@H+](CCCOC(C)(C)C)C1CC1 ZINC000674904709 487646520 /nfs/dbraw/zinc/64/65/20/487646520.db2.gz XLAHMCBXEQFUON-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO CC(C)(C)OCCC[NH2+]C(C)(C)c1ccccc1 ZINC000674904936 487649436 /nfs/dbraw/zinc/64/94/36/487649436.db2.gz DNZGJAFPYVYRJO-UHFFFAOYSA-N 1 0 249.398 3.717 20 0 BHADRO CCC1(C)CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674905918 487649239 /nfs/dbraw/zinc/64/92/39/487649239.db2.gz VXVFNLVWHIUGLU-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)[N@H+](CCCOC(C)(C)C)C1CCCC1 ZINC000674906096 487648727 /nfs/dbraw/zinc/64/87/27/487648727.db2.gz DETNVKMUZUWYPJ-UHFFFAOYSA-N 1 0 241.419 3.845 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCCOC(C)(C)C ZINC000674906301 487648751 /nfs/dbraw/zinc/64/87/51/487648751.db2.gz ZRLXXWWVVRFQQL-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCCOC(C)(C)C ZINC000674906302 487648881 /nfs/dbraw/zinc/64/88/81/487648881.db2.gz ZRLXXWWVVRFQQL-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000674907236 487649196 /nfs/dbraw/zinc/64/91/96/487649196.db2.gz RTWPPTMORGFUJH-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000674907237 487645274 /nfs/dbraw/zinc/64/52/74/487645274.db2.gz RTWPPTMORGFUJH-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[N@H+](CCCOC(C)(C)C)CC(C)C ZINC000674907800 487650182 /nfs/dbraw/zinc/65/01/82/487650182.db2.gz YWRHABXRSMNLFS-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CC[N@H+](CCCOC(C)(C)C)[C@H](C)C(C)C ZINC000674907822 487645188 /nfs/dbraw/zinc/64/51/88/487645188.db2.gz FNTILPCTYSPNRU-CYBMUJFWSA-N 1 0 229.408 3.558 20 0 BHADRO CC[N@H+](CCCOC(C)(C)C)[C@@H](C)C(C)C ZINC000674907824 487644709 /nfs/dbraw/zinc/64/47/09/487644709.db2.gz FNTILPCTYSPNRU-ZDUSSCGKSA-N 1 0 229.408 3.558 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCCOC(C)(C)C ZINC000674908301 487649967 /nfs/dbraw/zinc/64/99/67/487649967.db2.gz LXYBBJWZBZWHSW-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCCOC(C)(C)C ZINC000674908302 487650965 /nfs/dbraw/zinc/65/09/65/487650965.db2.gz LXYBBJWZBZWHSW-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CCCC(C)(C)CC1 ZINC000674908463 487724002 /nfs/dbraw/zinc/72/40/02/487724002.db2.gz CZUJCFKWWGATIY-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCCOC(C)(C)C ZINC000674908660 487650224 /nfs/dbraw/zinc/65/02/24/487650224.db2.gz HFOAPVPMTCIJCQ-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCCOC(C)(C)C ZINC000674908661 487650952 /nfs/dbraw/zinc/65/09/52/487650952.db2.gz HFOAPVPMTCIJCQ-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)C1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674908926 487651704 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/nfs/dbraw/zinc/64/95/71/487649571.db2.gz NXCCIADSKWYHDI-ZIAGYGMSSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909341 487651687 /nfs/dbraw/zinc/65/16/87/487651687.db2.gz JUYZHAIYFHAWGK-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909342 487652047 /nfs/dbraw/zinc/65/20/47/487652047.db2.gz JUYZHAIYFHAWGK-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909432 487652412 /nfs/dbraw/zinc/65/24/12/487652412.db2.gz PEKZMIHJSGZDCE-HNNXBMFYSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909434 487651590 /nfs/dbraw/zinc/65/15/90/487651590.db2.gz PEKZMIHJSGZDCE-OAHLLOKOSA-N 1 0 241.419 3.704 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCCOC(C)(C)C ZINC000674909856 487652380 /nfs/dbraw/zinc/65/23/80/487652380.db2.gz WBEFRPSPGSAMRW-CYBMUJFWSA-N 1 0 229.408 3.560 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCCOC(C)(C)C ZINC000674909858 487651779 /nfs/dbraw/zinc/65/17/79/487651779.db2.gz WBEFRPSPGSAMRW-ZDUSSCGKSA-N 1 0 229.408 3.560 20 0 BHADRO CC(C)(C)OCCC[NH+]1C2CCCC1CCC2 ZINC000674910062 487645723 /nfs/dbraw/zinc/64/57/23/487645723.db2.gz ZBDCOCBSQQVKFW-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000674910065 487730006 /nfs/dbraw/zinc/73/00/06/487730006.db2.gz ZDKCYWGMMPYYKL-HNNXBMFYSA-N 1 0 247.382 3.639 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000674910066 487730342 /nfs/dbraw/zinc/73/03/42/487730342.db2.gz ZDKCYWGMMPYYKL-OAHLLOKOSA-N 1 0 247.382 3.639 20 0 BHADRO CCC1(CC)CC[N@H+](CCCOC(C)(C)C)C1 ZINC000674911087 487653993 /nfs/dbraw/zinc/65/39/93/487653993.db2.gz WHIHDXDBGRIVQX-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000674912075 487653707 /nfs/dbraw/zinc/65/37/07/487653707.db2.gz PTXQHMSHVPEJOH-HNNXBMFYSA-N 1 0 249.423 3.624 20 0 BHADRO CCCc1ccc(C[NH2+]C[C@H]2CCCS2)cc1 ZINC000674912076 487652455 /nfs/dbraw/zinc/65/24/55/487652455.db2.gz PTXQHMSHVPEJOH-OAHLLOKOSA-N 1 0 249.423 3.624 20 0 BHADRO COc1ccccc1C[N@H+](C)CCC(C)(C)C ZINC000674995719 487663297 /nfs/dbraw/zinc/66/32/97/487663297.db2.gz CZKXCYRCBJUPIH-UHFFFAOYSA-N 1 0 235.371 3.563 20 0 BHADRO CCc1ccc(C[N@H+](C)CCC(C)C)cc1 ZINC000675002544 487664276 /nfs/dbraw/zinc/66/42/76/487664276.db2.gz HOBDHFQLPBDNNU-UHFFFAOYSA-N 1 0 219.372 3.727 20 0 BHADRO CCc1ccc(C[N@H+](C)CC=C(C)C)cc1 ZINC000675004067 487664265 /nfs/dbraw/zinc/66/42/65/487664265.db2.gz SXQLKARUDVBWER-UHFFFAOYSA-N 1 0 217.356 3.647 20 0 BHADRO CSc1ccc(C[N@H+](C)CCC(C)C)cc1 ZINC000675052081 487860057 /nfs/dbraw/zinc/86/00/57/487860057.db2.gz ALFWKIMONDDTMJ-UHFFFAOYSA-N 1 0 237.412 3.886 20 0 BHADRO Cc1ccc(C[N@H+](C)CCC(C)(C)C)cc1 ZINC000675056627 487666270 /nfs/dbraw/zinc/66/62/70/487666270.db2.gz CLWCAHXRSYDSOA-UHFFFAOYSA-N 1 0 219.372 3.863 20 0 BHADRO COCC[N@H+](CCC(C)(C)C)Cc1ccccc1 ZINC000675056802 487665882 /nfs/dbraw/zinc/66/58/82/487665882.db2.gz JDBVXMNEWNCQTB-UHFFFAOYSA-N 1 0 249.398 3.571 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccccc1F ZINC000675057287 487665796 /nfs/dbraw/zinc/66/57/96/487665796.db2.gz YRNLYKGHEXWGAA-UHFFFAOYSA-N 1 0 223.335 3.694 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000675125719 487672455 /nfs/dbraw/zinc/67/24/55/487672455.db2.gz WZHHUOCCLAZXNA-KBPBESRZSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000675125720 487673001 /nfs/dbraw/zinc/67/30/01/487673001.db2.gz WZHHUOCCLAZXNA-KGLIPLIRSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000675125721 487672752 /nfs/dbraw/zinc/67/27/52/487672752.db2.gz WZHHUOCCLAZXNA-UONOGXRCSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000675125722 487672856 /nfs/dbraw/zinc/67/28/56/487672856.db2.gz WZHHUOCCLAZXNA-ZIAGYGMSSA-N 1 0 232.371 3.655 20 0 BHADRO CCC[C@H]1CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000675125783 487673036 /nfs/dbraw/zinc/67/30/36/487673036.db2.gz ZVBJSVGLERDJJU-AWEZNQCLSA-N 1 0 241.419 3.704 20 0 BHADRO CCC[C@@H]1CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000675125784 487672965 /nfs/dbraw/zinc/67/29/65/487672965.db2.gz ZVBJSVGLERDJJU-CQSZACIVSA-N 1 0 241.419 3.704 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)[C@@H]1CCCCO1 ZINC000675156339 487676260 /nfs/dbraw/zinc/67/62/60/487676260.db2.gz LUWJLXYADKFNQG-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)(C[NH2+]C1CCCCC1)[C@H]1CCCCO1 ZINC000675156340 487675708 /nfs/dbraw/zinc/67/57/08/487675708.db2.gz LUWJLXYADKFNQG-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000675250728 487684242 /nfs/dbraw/zinc/68/42/42/487684242.db2.gz TYFPUKYEAKJBCV-CABCVRRESA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000675250733 487684489 /nfs/dbraw/zinc/68/44/89/487684489.db2.gz TYFPUKYEAKJBCV-GJZGRUSLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000675250736 487684452 /nfs/dbraw/zinc/68/44/52/487684452.db2.gz TYFPUKYEAKJBCV-HUUCEWRRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000675250737 487684348 /nfs/dbraw/zinc/68/43/48/487684348.db2.gz TYFPUKYEAKJBCV-LSDHHAIUSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cc2cc(C[NH2+]C3CC=CC3)oc2cc1C ZINC000675349020 487716436 /nfs/dbraw/zinc/71/64/36/487716436.db2.gz QJRVPTFWHAMAGB-UHFFFAOYSA-N 1 0 241.334 3.858 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000675478327 487739254 /nfs/dbraw/zinc/73/92/54/487739254.db2.gz VCCRDAAGWHGWJT-UHFFFAOYSA-N 1 0 227.351 3.596 20 0 BHADRO CC(C)CC[C@H]1CCCCN1CC(F)F ZINC000675509587 487743691 /nfs/dbraw/zinc/74/36/91/487743691.db2.gz VOBPEGVVQPCKRC-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC(C)CC[C@@H]1CCCCN1CC(F)F ZINC000675509592 487743554 /nfs/dbraw/zinc/74/35/54/487743554.db2.gz VOBPEGVVQPCKRC-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO Cc1ccc(C[N@@H+](C(C)C)C2CCCC2)cn1 ZINC000675515637 487744457 /nfs/dbraw/zinc/74/44/57/487744457.db2.gz HSFFWQFKSPZUHH-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551718 487748099 /nfs/dbraw/zinc/74/80/99/487748099.db2.gz RUFQHJOCEXQPIH-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551721 487747606 /nfs/dbraw/zinc/74/76/06/487747606.db2.gz RUFQHJOCEXQPIH-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551722 487747622 /nfs/dbraw/zinc/74/76/22/487747622.db2.gz RUFQHJOCEXQPIH-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551723 487747633 /nfs/dbraw/zinc/74/76/33/487747633.db2.gz RUFQHJOCEXQPIH-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551822 487747725 /nfs/dbraw/zinc/74/77/25/487747725.db2.gz WYWAOMPAGBMMDW-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551823 487747830 /nfs/dbraw/zinc/74/78/30/487747830.db2.gz WYWAOMPAGBMMDW-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551824 487747954 /nfs/dbraw/zinc/74/79/54/487747954.db2.gz WYWAOMPAGBMMDW-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000675551825 487747591 /nfs/dbraw/zinc/74/75/91/487747591.db2.gz WYWAOMPAGBMMDW-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000675630039 487755987 /nfs/dbraw/zinc/75/59/87/487755987.db2.gz SWCZODLSDZHXEK-BFHYXJOUSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000675630041 487755776 /nfs/dbraw/zinc/75/57/76/487755776.db2.gz SWCZODLSDZHXEK-IHRRRGAJSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000675630042 487755792 /nfs/dbraw/zinc/75/57/92/487755792.db2.gz SWCZODLSDZHXEK-MELADBBJSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000675630043 487755832 /nfs/dbraw/zinc/75/58/32/487755832.db2.gz SWCZODLSDZHXEK-MJBXVCDLSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000675633258 487756820 /nfs/dbraw/zinc/75/68/20/487756820.db2.gz HTAXHLLNXRZWGC-BFHYXJOUSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000675633259 487756789 /nfs/dbraw/zinc/75/67/89/487756789.db2.gz HTAXHLLNXRZWGC-IHRRRGAJSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000675633261 487756635 /nfs/dbraw/zinc/75/66/35/487756635.db2.gz HTAXHLLNXRZWGC-MELADBBJSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000675633262 487756886 /nfs/dbraw/zinc/75/68/86/487756886.db2.gz HTAXHLLNXRZWGC-MJBXVCDLSA-N 1 0 234.387 3.947 20 0 BHADRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000675639551 487757255 /nfs/dbraw/zinc/75/72/55/487757255.db2.gz NXXIPOMOXWOGJR-HNNXBMFYSA-N 1 0 245.366 3.632 20 0 BHADRO COc1ccccc1[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000675639552 487757330 /nfs/dbraw/zinc/75/73/30/487757330.db2.gz NXXIPOMOXWOGJR-OAHLLOKOSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc(C[N@H+](CC(C)C)CC2CC2)c1 ZINC000675640415 487758022 /nfs/dbraw/zinc/75/80/22/487758022.db2.gz YWFBBVYMJZLCKU-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000675692389 487766531 /nfs/dbraw/zinc/76/65/31/487766531.db2.gz SVDVQZAHGGHWKB-BDJLRTHQSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000675692390 487766212 /nfs/dbraw/zinc/76/62/12/487766212.db2.gz SVDVQZAHGGHWKB-BZNIZROVSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000675692391 487766317 /nfs/dbraw/zinc/76/63/17/487766317.db2.gz SVDVQZAHGGHWKB-MEDUHNTESA-N 1 0 241.334 3.926 20 0 BHADRO Cc1occc1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000675692392 487766770 /nfs/dbraw/zinc/76/67/70/487766770.db2.gz SVDVQZAHGGHWKB-ZBEGNZNMSA-N 1 0 241.334 3.926 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccccc1O ZINC000675712035 487768286 /nfs/dbraw/zinc/76/82/86/487768286.db2.gz KPSJYLXSNFLHRT-KBPBESRZSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1O ZINC000675712039 487768642 /nfs/dbraw/zinc/76/86/42/487768642.db2.gz KPSJYLXSNFLHRT-KGLIPLIRSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1O ZINC000675712040 487768481 /nfs/dbraw/zinc/76/84/81/487768481.db2.gz KPSJYLXSNFLHRT-UONOGXRCSA-N 1 0 249.398 3.739 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1O ZINC000675712041 487768649 /nfs/dbraw/zinc/76/86/49/487768649.db2.gz KPSJYLXSNFLHRT-ZIAGYGMSSA-N 1 0 249.398 3.739 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000675722119 487770697 /nfs/dbraw/zinc/77/06/97/487770697.db2.gz FBTVBIXACOQTCI-NEPJUHHUSA-N 1 0 233.355 3.556 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000675722120 487770710 /nfs/dbraw/zinc/77/07/10/487770710.db2.gz FBTVBIXACOQTCI-NWDGAFQWSA-N 1 0 233.355 3.556 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000675722121 487770323 /nfs/dbraw/zinc/77/03/23/487770323.db2.gz FBTVBIXACOQTCI-RYUDHWBXSA-N 1 0 233.355 3.556 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000675722122 487770737 /nfs/dbraw/zinc/77/07/37/487770737.db2.gz FBTVBIXACOQTCI-VXGBXAGGSA-N 1 0 233.355 3.556 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000675722664 487770578 /nfs/dbraw/zinc/77/05/78/487770578.db2.gz LLFYNRXUSJKAMG-DOMZBBRYSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000675722665 487770408 /nfs/dbraw/zinc/77/04/08/487770408.db2.gz LLFYNRXUSJKAMG-IUODEOHRSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000675722666 487770791 /nfs/dbraw/zinc/77/07/91/487770791.db2.gz LLFYNRXUSJKAMG-SWLSCSKDSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000675722667 487770332 /nfs/dbraw/zinc/77/03/32/487770332.db2.gz LLFYNRXUSJKAMG-WFASDCNBSA-N 1 0 235.371 3.925 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000675722669 487770354 /nfs/dbraw/zinc/77/03/54/487770354.db2.gz LPSKPXALBYYYKH-BFHYXJOUSA-N 1 0 249.398 3.965 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675722670 487770886 /nfs/dbraw/zinc/77/08/86/487770886.db2.gz LPSKPXALBYYYKH-IHRRRGAJSA-N 1 0 249.398 3.965 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675722671 487770904 /nfs/dbraw/zinc/77/09/04/487770904.db2.gz LPSKPXALBYYYKH-MELADBBJSA-N 1 0 249.398 3.965 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000675722672 487768315 /nfs/dbraw/zinc/76/83/15/487768315.db2.gz LPSKPXALBYYYKH-MJBXVCDLSA-N 1 0 249.398 3.965 20 0 BHADRO CC[C@H]([NH2+]C1CCCC1)c1cc(F)ccc1F ZINC000675724690 487770876 /nfs/dbraw/zinc/77/08/76/487770876.db2.gz LBTSZSGOHRWUFY-AWEZNQCLSA-N 1 0 239.309 3.948 20 0 BHADRO CC[C@@H]([NH2+]C1CCCC1)c1cc(F)ccc1F ZINC000675724692 487770806 /nfs/dbraw/zinc/77/08/06/487770806.db2.gz LBTSZSGOHRWUFY-CQSZACIVSA-N 1 0 239.309 3.948 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000675724843 487770801 /nfs/dbraw/zinc/77/08/01/487770801.db2.gz LHSUOBSQUWRWBB-INIZCTEOSA-N 1 0 246.398 3.920 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000675724844 487770275 /nfs/dbraw/zinc/77/02/75/487770275.db2.gz LHSUOBSQUWRWBB-MRXNPFEDSA-N 1 0 246.398 3.920 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC2CCCCC2)cn1 ZINC000675725569 487770447 /nfs/dbraw/zinc/77/04/47/487770447.db2.gz XTDCYLZVPYXTEF-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC2CCCCC2)cn1 ZINC000675725570 487770759 /nfs/dbraw/zinc/77/07/59/487770759.db2.gz XTDCYLZVPYXTEF-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CCCCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000675725837 487770454 /nfs/dbraw/zinc/77/04/54/487770454.db2.gz LDHDTQDNTDNURS-SECBINFHSA-N 1 0 245.288 3.945 20 0 BHADRO CCCCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000675725838 487770753 /nfs/dbraw/zinc/77/07/53/487770753.db2.gz LDHDTQDNTDNURS-VIFPVBQESA-N 1 0 245.288 3.945 20 0 BHADRO CCCCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675725940 487770461 /nfs/dbraw/zinc/77/04/61/487770461.db2.gz UTCCYFDVYCGWBC-KBPBESRZSA-N 1 0 249.398 3.967 20 0 BHADRO CCCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000675725941 487770263 /nfs/dbraw/zinc/77/02/63/487770263.db2.gz UTCCYFDVYCGWBC-KGLIPLIRSA-N 1 0 249.398 3.967 20 0 BHADRO CCCCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675725942 487770919 /nfs/dbraw/zinc/77/09/19/487770919.db2.gz UTCCYFDVYCGWBC-UONOGXRCSA-N 1 0 249.398 3.967 20 0 BHADRO CCCCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000675725943 487770520 /nfs/dbraw/zinc/77/05/20/487770520.db2.gz UTCCYFDVYCGWBC-ZIAGYGMSSA-N 1 0 249.398 3.967 20 0 BHADRO CCO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000675730640 487771901 /nfs/dbraw/zinc/77/19/01/487771901.db2.gz HFSFYXREJIIHHN-CABCVRRESA-N 1 0 247.382 3.557 20 0 BHADRO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000675730643 487771993 /nfs/dbraw/zinc/77/19/93/487771993.db2.gz HFSFYXREJIIHHN-HUUCEWRRSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000675734944 487772608 /nfs/dbraw/zinc/77/26/08/487772608.db2.gz HTAXHLLNXRZWGC-MCIONIFRSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000675734945 487772938 /nfs/dbraw/zinc/77/29/38/487772938.db2.gz HTAXHLLNXRZWGC-RDBSUJKOSA-N 1 0 234.387 3.947 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000675735168 487772722 /nfs/dbraw/zinc/77/27/22/487772722.db2.gz LAWATWCVMOZKQN-DZGCQCFKSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000675735169 487772579 /nfs/dbraw/zinc/77/25/79/487772579.db2.gz LAWATWCVMOZKQN-HIFRSBDPSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@](C)(O)C[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000675735171 487772423 /nfs/dbraw/zinc/77/24/23/487772423.db2.gz LAWATWCVMOZKQN-UKRRQHHQSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@](C)(O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000675735174 487773053 /nfs/dbraw/zinc/77/30/53/487773053.db2.gz LAWATWCVMOZKQN-ZFWWWQNUSA-N 1 0 243.435 3.588 20 0 BHADRO C[C@H]([NH2+]CCCCc1ccccc1)c1ccoc1 ZINC000675736714 487773146 /nfs/dbraw/zinc/77/31/46/487773146.db2.gz ZOABWPVMFVJSPZ-AWEZNQCLSA-N 1 0 243.350 3.953 20 0 BHADRO C[C@@H]([NH2+]CCCCc1ccccc1)c1ccoc1 ZINC000675736715 487772759 /nfs/dbraw/zinc/77/27/59/487772759.db2.gz ZOABWPVMFVJSPZ-CQSZACIVSA-N 1 0 243.350 3.953 20 0 BHADRO COCc1ccc(C[NH2+][C@H](C)CC2CCC2)cc1 ZINC000675737910 487772793 /nfs/dbraw/zinc/77/27/93/487772793.db2.gz KNLXHPOHGJDBRI-CYBMUJFWSA-N 1 0 247.382 3.501 20 0 BHADRO COCc1ccc(C[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000675737911 487772538 /nfs/dbraw/zinc/77/25/38/487772538.db2.gz KNLXHPOHGJDBRI-ZDUSSCGKSA-N 1 0 247.382 3.501 20 0 BHADRO CC[C@H]([NH2+]CCCCOc1ccccc1)C(C)C ZINC000675738710 487773608 /nfs/dbraw/zinc/77/36/08/487773608.db2.gz XTVGAMFVCMGLMZ-INIZCTEOSA-N 1 0 249.398 3.870 20 0 BHADRO CC[C@@H]([NH2+]CCCCOc1ccccc1)C(C)C ZINC000675738711 487773821 /nfs/dbraw/zinc/77/38/21/487773821.db2.gz XTVGAMFVCMGLMZ-MRXNPFEDSA-N 1 0 249.398 3.870 20 0 BHADRO CC[C@H]([NH2+]CCCCOc1ccccc1)C1CC1 ZINC000675738780 488097709 /nfs/dbraw/zinc/09/77/09/488097709.db2.gz ZCMDYZJZQTUTJF-INIZCTEOSA-N 1 0 247.382 3.624 20 0 BHADRO CC[C@@H]([NH2+]CCCCOc1ccccc1)C1CC1 ZINC000675738783 488097767 /nfs/dbraw/zinc/09/77/67/488097767.db2.gz ZCMDYZJZQTUTJF-MRXNPFEDSA-N 1 0 247.382 3.624 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000675739621 487773897 /nfs/dbraw/zinc/77/38/97/487773897.db2.gz OGEFREXOWIPZDP-DZGCQCFKSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000675739625 487773800 /nfs/dbraw/zinc/77/38/00/487773800.db2.gz OGEFREXOWIPZDP-HIFRSBDPSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000675739626 487773572 /nfs/dbraw/zinc/77/35/72/487773572.db2.gz OGEFREXOWIPZDP-UKRRQHHQSA-N 1 0 248.414 3.737 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000675739629 487773524 /nfs/dbraw/zinc/77/35/24/487773524.db2.gz OGEFREXOWIPZDP-ZFWWWQNUSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000675740771 487773683 /nfs/dbraw/zinc/77/36/83/487773683.db2.gz RRAVMROCINGOLK-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000675740772 487773592 /nfs/dbraw/zinc/77/35/92/487773592.db2.gz RRAVMROCINGOLK-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)CC1CCC1 ZINC000675764137 488107542 /nfs/dbraw/zinc/10/75/42/488107542.db2.gz BZRCZDMXAFICGV-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000675764139 488107632 /nfs/dbraw/zinc/10/76/32/488107632.db2.gz BZRCZDMXAFICGV-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CC1CCC1 ZINC000675764140 488107657 /nfs/dbraw/zinc/10/76/57/488107657.db2.gz BZRCZDMXAFICGV-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)CC1CCC1 ZINC000675764141 488107548 /nfs/dbraw/zinc/10/75/48/488107548.db2.gz BZRCZDMXAFICGV-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO CCOc1ccccc1C[NH2+][C@H](C)CC1CCC1 ZINC000675764460 487776010 /nfs/dbraw/zinc/77/60/10/487776010.db2.gz LZRQGHVQFDAYOU-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccccc1C[NH2+][C@@H](C)CC1CCC1 ZINC000675764461 487775895 /nfs/dbraw/zinc/77/58/95/487775895.db2.gz LZRQGHVQFDAYOU-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1cccc(C)c1C[NH2+]Cc1ccc(Cl)o1 ZINC000675764621 487776283 /nfs/dbraw/zinc/77/62/83/487776283.db2.gz OVJUZBDIZCYAFB-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)CC2CCC2)cc1 ZINC000675771426 487777006 /nfs/dbraw/zinc/77/70/06/487777006.db2.gz RCLVBKCUOUQQTL-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000675771427 487777081 /nfs/dbraw/zinc/77/70/81/487777081.db2.gz RCLVBKCUOUQQTL-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000675772694 487777153 /nfs/dbraw/zinc/77/71/53/487777153.db2.gz ATQYTOFMNOJMHH-DZUCGIPZSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000675772695 487776961 /nfs/dbraw/zinc/77/69/61/487776961.db2.gz ATQYTOFMNOJMHH-MWQQHZPXSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000675772696 487777048 /nfs/dbraw/zinc/77/70/48/487777048.db2.gz ATQYTOFMNOJMHH-XBVQOTNRSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000675772697 487776575 /nfs/dbraw/zinc/77/65/75/487776575.db2.gz ATQYTOFMNOJMHH-XLNGHYISSA-N 1 0 243.394 3.643 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675776948 487777716 /nfs/dbraw/zinc/77/77/16/487777716.db2.gz RPPMDWPCDOCUTL-KKUMJFAQSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675776949 487777919 /nfs/dbraw/zinc/77/79/19/487777919.db2.gz RPPMDWPCDOCUTL-RRFJBIMHSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675776950 487777532 /nfs/dbraw/zinc/77/75/32/487777532.db2.gz RPPMDWPCDOCUTL-SOUVJXGZSA-N 1 0 248.414 3.990 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675776951 487777958 /nfs/dbraw/zinc/77/79/58/487777958.db2.gz RPPMDWPCDOCUTL-ZNMIVQPWSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccn1 ZINC000675778762 487777749 /nfs/dbraw/zinc/77/77/49/487777749.db2.gz MAUAZLNUVBCJJD-BBRMVZONSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccn1 ZINC000675778763 487777634 /nfs/dbraw/zinc/77/76/34/487777634.db2.gz MAUAZLNUVBCJJD-CJNGLKHVSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccn1 ZINC000675778764 487777858 /nfs/dbraw/zinc/77/78/58/487777858.db2.gz MAUAZLNUVBCJJD-CZUORRHYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccn1 ZINC000675778765 487777868 /nfs/dbraw/zinc/77/78/68/487777868.db2.gz MAUAZLNUVBCJJD-XJKSGUPXSA-N 1 0 246.398 3.805 20 0 BHADRO C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000675778824 487777575 /nfs/dbraw/zinc/77/75/75/487777575.db2.gz NDUPYUFMRQXFGK-CXAGYDPISA-N 1 0 243.394 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000675778825 487777602 /nfs/dbraw/zinc/77/76/02/487777602.db2.gz NDUPYUFMRQXFGK-DYVFJYSZSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000675778826 487777775 /nfs/dbraw/zinc/77/77/75/487777775.db2.gz NDUPYUFMRQXFGK-GUYCJALGSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000675778827 487777999 /nfs/dbraw/zinc/77/79/99/487777999.db2.gz NDUPYUFMRQXFGK-SUMWQHHRSA-N 1 0 243.394 3.643 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc2c(s1)CCC2 ZINC000675778992 487777584 /nfs/dbraw/zinc/77/75/84/487777584.db2.gz PBEJDHABYGRLIN-GHMZBOCLSA-N 1 0 249.423 3.934 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)C1CC1 ZINC000675778993 487778047 /nfs/dbraw/zinc/77/80/47/487778047.db2.gz PBEJDHABYGRLIN-MNOVXSKESA-N 1 0 249.423 3.934 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)C1CC1 ZINC000675778994 487777995 /nfs/dbraw/zinc/77/79/95/487777995.db2.gz PBEJDHABYGRLIN-QWRGUYRKSA-N 1 0 249.423 3.934 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cc2c(s1)CCC2)C1CC1 ZINC000675778995 487777618 /nfs/dbraw/zinc/77/76/18/487777618.db2.gz PBEJDHABYGRLIN-WDEREUQCSA-N 1 0 249.423 3.934 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1cccc(OC)c1 ZINC000675779034 487777795 /nfs/dbraw/zinc/77/77/95/487777795.db2.gz QEMJMVSGFPCAKE-BLLLJJGKSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1cccc(OC)c1 ZINC000675779035 487777624 /nfs/dbraw/zinc/77/76/24/487777624.db2.gz QEMJMVSGFPCAKE-LRDDRELGSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000675779036 487777769 /nfs/dbraw/zinc/77/77/69/487777769.db2.gz QEMJMVSGFPCAKE-MLGOLLRUSA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000675779037 487777788 /nfs/dbraw/zinc/77/77/88/487777788.db2.gz QEMJMVSGFPCAKE-WBMJQRKESA-N 1 0 247.382 3.782 20 0 BHADRO C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CC1 ZINC000675779073 487777888 /nfs/dbraw/zinc/77/78/88/487777888.db2.gz QXULTRNWYKPOKO-HSMVNMDESA-N 1 0 229.367 3.556 20 0 BHADRO C[C@H](C[NH2+][C@H]1c2ccccc2C[C@@H]1C)C1CC1 ZINC000675779074 487778076 /nfs/dbraw/zinc/77/80/76/487778076.db2.gz QXULTRNWYKPOKO-HWWQOWPSSA-N 1 0 229.367 3.556 20 0 BHADRO C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1C)C1CC1 ZINC000675779075 487777561 /nfs/dbraw/zinc/77/75/61/487777561.db2.gz QXULTRNWYKPOKO-OZVIIMIRSA-N 1 0 229.367 3.556 20 0 BHADRO C[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)C1CC1 ZINC000675779076 487778022 /nfs/dbraw/zinc/77/80/22/487778022.db2.gz QXULTRNWYKPOKO-XHBSWPGZSA-N 1 0 229.367 3.556 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1ccc(F)cc1 ZINC000675779092 487777912 /nfs/dbraw/zinc/77/79/12/487777912.db2.gz DOJVZGTWGFUUSR-HNNXBMFYSA-N 1 0 247.313 3.968 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1ccc(F)cc1 ZINC000675779093 487778004 /nfs/dbraw/zinc/77/80/04/487778004.db2.gz DOJVZGTWGFUUSR-OAHLLOKOSA-N 1 0 247.313 3.968 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)C1CC1 ZINC000675779246 487777895 /nfs/dbraw/zinc/77/78/95/487777895.db2.gz STWNHWQAXFSGBY-BLLLJJGKSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)C1CC1 ZINC000675779247 487777890 /nfs/dbraw/zinc/77/78/90/487777890.db2.gz STWNHWQAXFSGBY-LRDDRELGSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)C1CC1 ZINC000675779248 487778081 /nfs/dbraw/zinc/77/80/81/487778081.db2.gz STWNHWQAXFSGBY-MLGOLLRUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)C1CC1 ZINC000675779249 487777984 /nfs/dbraw/zinc/77/79/84/487777984.db2.gz STWNHWQAXFSGBY-WBMJQRKESA-N 1 0 229.367 3.618 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000675779436 487777502 /nfs/dbraw/zinc/77/75/02/487777502.db2.gz WLPYYUXCDGKWPX-DOMZBBRYSA-N 1 0 245.366 3.536 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000675779437 487777884 /nfs/dbraw/zinc/77/78/84/487777884.db2.gz WLPYYUXCDGKWPX-IUODEOHRSA-N 1 0 245.366 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000675779438 487777524 /nfs/dbraw/zinc/77/75/24/487777524.db2.gz WLPYYUXCDGKWPX-SWLSCSKDSA-N 1 0 245.366 3.536 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000675779439 487777552 /nfs/dbraw/zinc/77/75/52/487777552.db2.gz WLPYYUXCDGKWPX-WFASDCNBSA-N 1 0 245.366 3.536 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000675779728 487778330 /nfs/dbraw/zinc/77/83/30/487778330.db2.gz PQCCCYQCWGSFTQ-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000675779729 487778771 /nfs/dbraw/zinc/77/87/71/487778771.db2.gz PQCCCYQCWGSFTQ-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000675779735 487778432 /nfs/dbraw/zinc/77/84/32/487778432.db2.gz QCJKICUFOIFCLD-DZGCQCFKSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000675779736 487778631 /nfs/dbraw/zinc/77/86/31/487778631.db2.gz QCJKICUFOIFCLD-HIFRSBDPSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000675779737 487778324 /nfs/dbraw/zinc/77/83/24/487778324.db2.gz QCJKICUFOIFCLD-UKRRQHHQSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000675779738 487778643 /nfs/dbraw/zinc/77/86/43/487778643.db2.gz QCJKICUFOIFCLD-ZFWWWQNUSA-N 1 0 233.355 3.646 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+]Cc1ccoc1C ZINC000675780471 487778519 /nfs/dbraw/zinc/77/85/19/487778519.db2.gz ZAEZDFKBJQTTMG-CYBMUJFWSA-N 1 0 249.379 3.760 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccoc1C ZINC000675780475 487778268 /nfs/dbraw/zinc/77/82/68/487778268.db2.gz ZAEZDFKBJQTTMG-ZDUSSCGKSA-N 1 0 249.379 3.760 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000675785176 487778382 /nfs/dbraw/zinc/77/83/82/487778382.db2.gz YBVDEYKWXQHLGW-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000675785177 487778295 /nfs/dbraw/zinc/77/82/95/487778295.db2.gz YBVDEYKWXQHLGW-LJISPDSOSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000675785178 487778524 /nfs/dbraw/zinc/77/85/24/487778524.db2.gz YBVDEYKWXQHLGW-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000675785181 487778730 /nfs/dbraw/zinc/77/87/30/487778730.db2.gz YBVDEYKWXQHLGW-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)C(C)C ZINC000675788277 487779652 /nfs/dbraw/zinc/77/96/52/487779652.db2.gz PLTLGVIZPRVCTL-CYBMUJFWSA-N 1 0 249.398 3.607 20 0 BHADRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)C(C)C ZINC000675788278 487779506 /nfs/dbraw/zinc/77/95/06/487779506.db2.gz PLTLGVIZPRVCTL-ZDUSSCGKSA-N 1 0 249.398 3.607 20 0 BHADRO CC[C@H]([NH2+]CCCc1ccccc1C)C1CC1 ZINC000675788401 487779630 /nfs/dbraw/zinc/77/96/30/487779630.db2.gz DNTUXGDJIWWQJR-INIZCTEOSA-N 1 0 231.383 3.706 20 0 BHADRO CC[C@@H]([NH2+]CCCc1ccccc1C)C1CC1 ZINC000675788406 487779684 /nfs/dbraw/zinc/77/96/84/487779684.db2.gz DNTUXGDJIWWQJR-MRXNPFEDSA-N 1 0 231.383 3.706 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C1CC1 ZINC000675789479 487779441 /nfs/dbraw/zinc/77/94/41/487779441.db2.gz BNNKGUMRCHUGEL-INIZCTEOSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C1CC1 ZINC000675789480 487779712 /nfs/dbraw/zinc/77/97/12/487779712.db2.gz BNNKGUMRCHUGEL-MRXNPFEDSA-N 1 0 242.366 3.692 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789502 487779536 /nfs/dbraw/zinc/77/95/36/487779536.db2.gz CRVACWRXWALCGU-DOMZBBRYSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789503 487779195 /nfs/dbraw/zinc/77/91/95/487779195.db2.gz CRVACWRXWALCGU-IUODEOHRSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789504 490248139 /nfs/dbraw/zinc/24/81/39/490248139.db2.gz CRVACWRXWALCGU-SWLSCSKDSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789505 490247831 /nfs/dbraw/zinc/24/78/31/490247831.db2.gz CRVACWRXWALCGU-WFASDCNBSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789714 487779659 /nfs/dbraw/zinc/77/96/59/487779659.db2.gz JCQMTRVUOXJSFS-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675789715 487779367 /nfs/dbraw/zinc/77/93/67/487779367.db2.gz JCQMTRVUOXJSFS-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675790123 487779605 /nfs/dbraw/zinc/77/96/05/487779605.db2.gz UOSFVYOJUGUVNN-NEPJUHHUSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675790124 487779561 /nfs/dbraw/zinc/77/95/61/487779561.db2.gz UOSFVYOJUGUVNN-NWDGAFQWSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675790125 487779833 /nfs/dbraw/zinc/77/98/33/487779833.db2.gz UOSFVYOJUGUVNN-RYUDHWBXSA-N 1 0 230.355 3.692 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000675790126 487779601 /nfs/dbraw/zinc/77/96/01/487779601.db2.gz UOSFVYOJUGUVNN-VXGBXAGGSA-N 1 0 230.355 3.692 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000675790420 487779666 /nfs/dbraw/zinc/77/96/66/487779666.db2.gz XKQLIKBTOQIQRZ-NEPJUHHUSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000675790421 487779842 /nfs/dbraw/zinc/77/98/42/487779842.db2.gz XKQLIKBTOQIQRZ-NWDGAFQWSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000675790422 487779511 /nfs/dbraw/zinc/77/95/11/487779511.db2.gz XKQLIKBTOQIQRZ-RYUDHWBXSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000675790423 487779883 /nfs/dbraw/zinc/77/98/83/487779883.db2.gz XKQLIKBTOQIQRZ-VXGBXAGGSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000675795013 487780746 /nfs/dbraw/zinc/78/07/46/487780746.db2.gz JVGIPLBQYCNBOX-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000675795018 487780423 /nfs/dbraw/zinc/78/04/23/487780423.db2.gz JVGIPLBQYCNBOX-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000675795019 487780204 /nfs/dbraw/zinc/78/02/04/487780204.db2.gz JVGIPLBQYCNBOX-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000675795020 487780451 /nfs/dbraw/zinc/78/04/51/487780451.db2.gz JVGIPLBQYCNBOX-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO CC(C)OCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000675795598 487780522 /nfs/dbraw/zinc/78/05/22/487780522.db2.gz ZZRHNENIKPIVEH-UHFFFAOYSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000675802513 487780245 /nfs/dbraw/zinc/78/02/45/487780245.db2.gz RUPJRPBBNIUJSD-GDBMZVCRSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000675802514 487780221 /nfs/dbraw/zinc/78/02/21/487780221.db2.gz RUPJRPBBNIUJSD-GOEBONIOSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000675802517 487780418 /nfs/dbraw/zinc/78/04/18/487780418.db2.gz RUPJRPBBNIUJSD-HOCLYGCPSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000675802518 487780516 /nfs/dbraw/zinc/78/05/16/487780516.db2.gz RUPJRPBBNIUJSD-ZBFHGGJFSA-N 1 0 247.382 3.841 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000675802692 487780739 /nfs/dbraw/zinc/78/07/39/487780739.db2.gz UWILDIAUWIDTRZ-CYBMUJFWSA-N 1 0 233.355 3.617 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000675802695 487780682 /nfs/dbraw/zinc/78/06/82/487780682.db2.gz UWILDIAUWIDTRZ-ZDUSSCGKSA-N 1 0 233.355 3.617 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000675803624 487780214 /nfs/dbraw/zinc/78/02/14/487780214.db2.gz MEZUYBLVOXHRQU-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000675803625 487780359 /nfs/dbraw/zinc/78/03/59/487780359.db2.gz MEZUYBLVOXHRQU-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](C)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000675803626 487780755 /nfs/dbraw/zinc/78/07/55/487780755.db2.gz MEZUYBLVOXHRQU-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](C)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000675803627 487780319 /nfs/dbraw/zinc/78/03/19/487780319.db2.gz MEZUYBLVOXHRQU-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000675808164 487781310 /nfs/dbraw/zinc/78/13/10/487781310.db2.gz GADZOWFGRFXAOF-BFHYXJOUSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000675808166 487781482 /nfs/dbraw/zinc/78/14/82/487781482.db2.gz GADZOWFGRFXAOF-IHRRRGAJSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000675808167 487781442 /nfs/dbraw/zinc/78/14/42/487781442.db2.gz GADZOWFGRFXAOF-MELADBBJSA-N 1 0 243.435 3.588 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000675808169 487781223 /nfs/dbraw/zinc/78/12/23/487781223.db2.gz GADZOWFGRFXAOF-MJBXVCDLSA-N 1 0 243.435 3.588 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccn1 ZINC000675815839 487781981 /nfs/dbraw/zinc/78/19/81/487781981.db2.gz FXSJFQWKHIELDX-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccn1 ZINC000675815842 487782019 /nfs/dbraw/zinc/78/20/19/487782019.db2.gz FXSJFQWKHIELDX-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccn1 ZINC000675815843 487781953 /nfs/dbraw/zinc/78/19/53/487781953.db2.gz FXSJFQWKHIELDX-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccn1 ZINC000675815844 487782022 /nfs/dbraw/zinc/78/20/22/487782022.db2.gz FXSJFQWKHIELDX-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)CC)c1ccccn1 ZINC000675816759 487782152 /nfs/dbraw/zinc/78/21/52/487782152.db2.gz PNFYBKCEUUVYBJ-GUTXKFCHSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)CC)c1ccccn1 ZINC000675816762 487782295 /nfs/dbraw/zinc/78/22/95/487782295.db2.gz PNFYBKCEUUVYBJ-IPYPFGDCSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H](C)CC)c1ccccn1 ZINC000675816763 487782052 /nfs/dbraw/zinc/78/20/52/487782052.db2.gz PNFYBKCEUUVYBJ-NFAWXSAZSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)c1ccccn1 ZINC000675816764 487781376 /nfs/dbraw/zinc/78/13/76/487781376.db2.gz PNFYBKCEUUVYBJ-YDHLFZDLSA-N 1 0 234.387 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccccn1 ZINC000675816829 487782099 /nfs/dbraw/zinc/78/20/99/487782099.db2.gz QFHSWMMPCALRBI-DOMZBBRYSA-N 1 0 244.338 3.867 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccccn1 ZINC000675816830 487782370 /nfs/dbraw/zinc/78/23/70/487782370.db2.gz QFHSWMMPCALRBI-IUODEOHRSA-N 1 0 244.338 3.867 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccn1 ZINC000675816831 487782064 /nfs/dbraw/zinc/78/20/64/487782064.db2.gz QFHSWMMPCALRBI-SWLSCSKDSA-N 1 0 244.338 3.867 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccccn1 ZINC000675816832 487782054 /nfs/dbraw/zinc/78/20/54/487782054.db2.gz QFHSWMMPCALRBI-WFASDCNBSA-N 1 0 244.338 3.867 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccccn1 ZINC000675817464 487782333 /nfs/dbraw/zinc/78/23/33/487782333.db2.gz UDYWTJIACFJZSX-DZGCQCFKSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H](CC)C1CC1)c1ccccn1 ZINC000675817466 487782069 /nfs/dbraw/zinc/78/20/69/487782069.db2.gz UDYWTJIACFJZSX-HIFRSBDPSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccccn1 ZINC000675817468 487781421 /nfs/dbraw/zinc/78/14/21/487781421.db2.gz UDYWTJIACFJZSX-UKRRQHHQSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccccn1 ZINC000675817469 487781467 /nfs/dbraw/zinc/78/14/67/487781467.db2.gz UDYWTJIACFJZSX-ZFWWWQNUSA-N 1 0 232.371 3.701 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000675818371 487781991 /nfs/dbraw/zinc/78/19/91/487781991.db2.gz NXOVPYKCSNMYBA-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000675818372 487782050 /nfs/dbraw/zinc/78/20/50/487782050.db2.gz NXOVPYKCSNMYBA-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000675818373 487782327 /nfs/dbraw/zinc/78/23/27/487782327.db2.gz NXOVPYKCSNMYBA-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000675818374 487782017 /nfs/dbraw/zinc/78/20/17/487782017.db2.gz NXOVPYKCSNMYBA-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000675822707 487783333 /nfs/dbraw/zinc/78/33/33/487783333.db2.gz FISCUVVSTWSDDR-ABAIWWIYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000675822711 487783290 /nfs/dbraw/zinc/78/32/90/487783290.db2.gz FISCUVVSTWSDDR-IAQYHMDHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000675822713 487783005 /nfs/dbraw/zinc/78/30/05/487783005.db2.gz FISCUVVSTWSDDR-NHYWBVRUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000675822715 487782782 /nfs/dbraw/zinc/78/27/82/487782782.db2.gz FISCUVVSTWSDDR-XHDPSFHLSA-N 1 0 245.366 3.548 20 0 BHADRO CC(C)=CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000675838716 487784057 /nfs/dbraw/zinc/78/40/57/487784057.db2.gz MIGKWCDWGZSDRC-UHFFFAOYSA-N 1 0 223.747 3.738 20 0 BHADRO CCC[N@H+](CC=C(C)C)Cc1ccccc1 ZINC000675838778 487783837 /nfs/dbraw/zinc/78/38/37/487783837.db2.gz NJANQNCQQVQJMT-UHFFFAOYSA-N 1 0 217.356 3.865 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000675872228 487784899 /nfs/dbraw/zinc/78/48/99/487784899.db2.gz DKEYAUXEOLVZAO-INIZCTEOSA-N 1 0 229.367 3.978 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000675872237 487785214 /nfs/dbraw/zinc/78/52/14/487785214.db2.gz DKEYAUXEOLVZAO-MRXNPFEDSA-N 1 0 229.367 3.978 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)CC2CCC2)cn1 ZINC000675875538 487785419 /nfs/dbraw/zinc/78/54/19/487785419.db2.gz XOFXIVTXYQXUEC-CHWSQXEVSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)CC2CCC2)cn1 ZINC000675875539 487785471 /nfs/dbraw/zinc/78/54/71/487785471.db2.gz XOFXIVTXYQXUEC-OLZOCXBDSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)cn1 ZINC000675875540 487785086 /nfs/dbraw/zinc/78/50/86/487785086.db2.gz XOFXIVTXYQXUEC-QWHCGFSZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)CC2CCC2)cn1 ZINC000675875541 487784856 /nfs/dbraw/zinc/78/48/56/487784856.db2.gz XOFXIVTXYQXUEC-STQMWFEESA-N 1 0 249.402 3.693 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000675877721 487785325 /nfs/dbraw/zinc/78/53/25/487785325.db2.gz SWCZODLSDZHXEK-MCIONIFRSA-N 1 0 234.387 3.947 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000675877722 487785164 /nfs/dbraw/zinc/78/51/64/487785164.db2.gz SWCZODLSDZHXEK-RDBSUJKOSA-N 1 0 234.387 3.947 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000675883854 487786079 /nfs/dbraw/zinc/78/60/79/487786079.db2.gz UCBPGULJSRWVOA-AWEZNQCLSA-N 1 0 239.403 3.528 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000675883855 487786564 /nfs/dbraw/zinc/78/65/64/487786564.db2.gz UCBPGULJSRWVOA-CQSZACIVSA-N 1 0 239.403 3.528 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000675885171 487786568 /nfs/dbraw/zinc/78/65/68/487786568.db2.gz JKQWKWXPOMMMTA-BLLLJJGKSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000675885172 487786572 /nfs/dbraw/zinc/78/65/72/487786572.db2.gz JKQWKWXPOMMMTA-LRDDRELGSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000675885173 487785972 /nfs/dbraw/zinc/78/59/72/487785972.db2.gz JKQWKWXPOMMMTA-MLGOLLRUSA-N 1 0 249.373 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000675885174 487786141 /nfs/dbraw/zinc/78/61/41/487786141.db2.gz JKQWKWXPOMMMTA-WBMJQRKESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000675891881 487787516 /nfs/dbraw/zinc/78/75/16/487787516.db2.gz ACMXRURCHLNOHF-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000675891883 487786642 /nfs/dbraw/zinc/78/66/42/487786642.db2.gz ACMXRURCHLNOHF-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000675891885 487786308 /nfs/dbraw/zinc/78/63/08/487786308.db2.gz ACMXRURCHLNOHF-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000675891886 487786508 /nfs/dbraw/zinc/78/65/08/487786508.db2.gz ACMXRURCHLNOHF-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCF ZINC000675893637 487788925 /nfs/dbraw/zinc/78/89/25/487788925.db2.gz NUCBYACBFMOCJO-HNNXBMFYSA-N 1 0 235.346 3.601 20 0 BHADRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCF ZINC000675893638 487788429 /nfs/dbraw/zinc/78/84/29/487788429.db2.gz NUCBYACBFMOCJO-OAHLLOKOSA-N 1 0 235.346 3.601 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC1CCC1)c1ccncc1 ZINC000675900682 487789760 /nfs/dbraw/zinc/78/97/60/487789760.db2.gz INTBRLGNRYKHCT-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CC1CCC1)c1ccncc1 ZINC000675900683 487790527 /nfs/dbraw/zinc/79/05/27/487790527.db2.gz INTBRLGNRYKHCT-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccncc1 ZINC000675900684 487790068 /nfs/dbraw/zinc/79/00/68/487790068.db2.gz INTBRLGNRYKHCT-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC1CCC1)c1ccncc1 ZINC000675900685 487790152 /nfs/dbraw/zinc/79/01/52/487790152.db2.gz INTBRLGNRYKHCT-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000675906130 487790957 /nfs/dbraw/zinc/79/09/57/487790957.db2.gz WLEZPJQZZKPVNX-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000675906131 487791067 /nfs/dbraw/zinc/79/10/67/487791067.db2.gz WLEZPJQZZKPVNX-BYNSBNAKSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000675906132 487791601 /nfs/dbraw/zinc/79/16/01/487791601.db2.gz WLEZPJQZZKPVNX-XQLPTFJDSA-N 1 0 241.419 3.748 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000675906133 487791596 /nfs/dbraw/zinc/79/15/96/487791596.db2.gz WLEZPJQZZKPVNX-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926360 487792356 /nfs/dbraw/zinc/79/23/56/487792356.db2.gz BLBPHNXZENFGBE-DZKIICNBSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926362 487791996 /nfs/dbraw/zinc/79/19/96/487791996.db2.gz BLBPHNXZENFGBE-LZWOXQAQSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926364 487792504 /nfs/dbraw/zinc/79/25/04/487792504.db2.gz BLBPHNXZENFGBE-OFQRWUPVSA-N 1 0 248.414 3.990 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926365 487792155 /nfs/dbraw/zinc/79/21/55/487792155.db2.gz BLBPHNXZENFGBE-SQWLQELKSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926722 487792191 /nfs/dbraw/zinc/79/21/91/487792191.db2.gz FHRLAFRJCIMBOX-CABCVRRESA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926723 487792321 /nfs/dbraw/zinc/79/23/21/487792321.db2.gz FHRLAFRJCIMBOX-GJZGRUSLSA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926724 487792053 /nfs/dbraw/zinc/79/20/53/487792053.db2.gz FHRLAFRJCIMBOX-HUUCEWRRSA-N 1 0 246.398 3.910 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926725 487792514 /nfs/dbraw/zinc/79/25/14/487792514.db2.gz FHRLAFRJCIMBOX-LSDHHAIUSA-N 1 0 246.398 3.910 20 0 BHADRO CCCC(CCC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926847 487791945 /nfs/dbraw/zinc/79/19/45/487791945.db2.gz HOCRFRFCDKMCRA-CYBMUJFWSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC(CCC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926848 487792316 /nfs/dbraw/zinc/79/23/16/487792316.db2.gz HOCRFRFCDKMCRA-ZDUSSCGKSA-N 1 0 234.387 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000675926978 487793464 /nfs/dbraw/zinc/79/34/64/487793464.db2.gz JYGKEENVBGKINZ-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000675926979 487793504 /nfs/dbraw/zinc/79/35/04/487793504.db2.gz JYGKEENVBGKINZ-KNCOVGOOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccncc1 ZINC000675926980 487793266 /nfs/dbraw/zinc/79/32/66/487793266.db2.gz JYGKEENVBGKINZ-MELADBBJSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)c1ccncc1 ZINC000675926981 487793455 /nfs/dbraw/zinc/79/34/55/487793455.db2.gz JYGKEENVBGKINZ-MGPQQGTHSA-N 1 0 246.398 3.599 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927238 487793073 /nfs/dbraw/zinc/79/30/73/487793073.db2.gz BKDKLHZBSBDGGP-DZGCQCFKSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927239 487793167 /nfs/dbraw/zinc/79/31/67/487793167.db2.gz BKDKLHZBSBDGGP-HIFRSBDPSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927240 487793094 /nfs/dbraw/zinc/79/30/94/487793094.db2.gz BKDKLHZBSBDGGP-UKRRQHHQSA-N 1 0 234.387 3.744 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927241 487793111 /nfs/dbraw/zinc/79/31/11/487793111.db2.gz BKDKLHZBSBDGGP-ZFWWWQNUSA-N 1 0 234.387 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccsc1)c1ccncc1 ZINC000675927285 487793124 /nfs/dbraw/zinc/79/31/24/487793124.db2.gz DQMMLFUZKSASGO-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccsc1)c1ccncc1 ZINC000675927286 487793335 /nfs/dbraw/zinc/79/33/35/487793335.db2.gz DQMMLFUZKSASGO-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)c1ccncc1 ZINC000675927287 487792058 /nfs/dbraw/zinc/79/20/58/487792058.db2.gz DQMMLFUZKSASGO-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccsc1 ZINC000675927288 487791993 /nfs/dbraw/zinc/79/19/93/487791993.db2.gz DQMMLFUZKSASGO-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccs1)c1ccncc1 ZINC000675927765 487793254 /nfs/dbraw/zinc/79/32/54/487793254.db2.gz PIFSPZWZRYEOCT-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccs1)c1ccncc1 ZINC000675927766 487793329 /nfs/dbraw/zinc/79/33/29/487793329.db2.gz PIFSPZWZRYEOCT-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccs1)c1ccncc1 ZINC000675927767 487793088 /nfs/dbraw/zinc/79/30/88/487793088.db2.gz PIFSPZWZRYEOCT-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccs1 ZINC000675927768 487793195 /nfs/dbraw/zinc/79/31/95/487793195.db2.gz PIFSPZWZRYEOCT-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927805 487793012 /nfs/dbraw/zinc/79/30/12/487793012.db2.gz QEHVNWXWBFPYLA-DZKIICNBSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927806 487793223 /nfs/dbraw/zinc/79/32/23/487793223.db2.gz QEHVNWXWBFPYLA-LZWOXQAQSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927807 487793005 /nfs/dbraw/zinc/79/30/05/487793005.db2.gz QEHVNWXWBFPYLA-OFQRWUPVSA-N 1 0 248.414 3.990 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927808 487793061 /nfs/dbraw/zinc/79/30/61/487793061.db2.gz QEHVNWXWBFPYLA-SQWLQELKSA-N 1 0 248.414 3.990 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)c1ccncc1 ZINC000675928487 487793349 /nfs/dbraw/zinc/79/33/49/487793349.db2.gz OSLSASSEZKAHTG-DZGCQCFKSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)c1ccncc1 ZINC000675928488 487793067 /nfs/dbraw/zinc/79/30/67/487793067.db2.gz OSLSASSEZKAHTG-HIFRSBDPSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)c1ccncc1 ZINC000675928489 487793482 /nfs/dbraw/zinc/79/34/82/487793482.db2.gz OSLSASSEZKAHTG-UKRRQHHQSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)c1ccncc1 ZINC000675928490 487793393 /nfs/dbraw/zinc/79/33/93/487793393.db2.gz OSLSASSEZKAHTG-ZFWWWQNUSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928587 487793480 /nfs/dbraw/zinc/79/34/80/487793480.db2.gz QSJUCSHNFCFBBG-CABCVRRESA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928588 487791930 /nfs/dbraw/zinc/79/19/30/487791930.db2.gz QSJUCSHNFCFBBG-GJZGRUSLSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928589 487792449 /nfs/dbraw/zinc/79/24/49/487792449.db2.gz QSJUCSHNFCFBBG-HUUCEWRRSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928590 487792497 /nfs/dbraw/zinc/79/24/97/487792497.db2.gz QSJUCSHNFCFBBG-LSDHHAIUSA-N 1 0 248.414 3.990 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928743 487793212 /nfs/dbraw/zinc/79/32/12/487793212.db2.gz WHUDWXIPJFDGPE-KBPBESRZSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928744 487793237 /nfs/dbraw/zinc/79/32/37/487793237.db2.gz WHUDWXIPJFDGPE-KGLIPLIRSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928745 487793475 /nfs/dbraw/zinc/79/34/75/487793475.db2.gz WHUDWXIPJFDGPE-UONOGXRCSA-N 1 0 234.387 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928746 487792262 /nfs/dbraw/zinc/79/22/62/487792262.db2.gz WHUDWXIPJFDGPE-ZIAGYGMSSA-N 1 0 234.387 3.599 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC(F)(F)F ZINC000675929693 487793925 /nfs/dbraw/zinc/79/39/25/487793925.db2.gz BQROOOBQKMONSW-GFCCVEGCSA-N 1 0 243.272 3.524 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC(F)(F)F ZINC000675929694 487794125 /nfs/dbraw/zinc/79/41/25/487794125.db2.gz BQROOOBQKMONSW-LBPRGKRZSA-N 1 0 243.272 3.524 20 0 BHADRO CCC1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000675930398 487794248 /nfs/dbraw/zinc/79/42/48/487794248.db2.gz QGILSTXMLNBQLZ-DNOWBOINSA-N 1 0 235.371 3.769 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000675930404 487793839 /nfs/dbraw/zinc/79/38/39/487793839.db2.gz QGILSTXMLNBQLZ-OPFPJEHXSA-N 1 0 235.371 3.769 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@H](C)CC1CCC1 ZINC000675934232 487794054 /nfs/dbraw/zinc/79/40/54/487794054.db2.gz NBOVLLKFHLTOQH-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C)ccc1C[NH2+][C@@H](C)CC1CCC1 ZINC000675934236 487794289 /nfs/dbraw/zinc/79/42/89/487794289.db2.gz NBOVLLKFHLTOQH-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000675935469 487794073 /nfs/dbraw/zinc/79/40/73/487794073.db2.gz ITPPPGCYWOVQGM-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000675935470 487794136 /nfs/dbraw/zinc/79/41/36/487794136.db2.gz ITPPPGCYWOVQGM-XGUBFFRZSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000675935471 487794093 /nfs/dbraw/zinc/79/40/93/487794093.db2.gz ITPPPGCYWOVQGM-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000675935472 487794197 /nfs/dbraw/zinc/79/41/97/487794197.db2.gz ITPPPGCYWOVQGM-YJNKXOJESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000675935673 487794228 /nfs/dbraw/zinc/79/42/28/487794228.db2.gz MKMKGPBZKOIHIV-KKUMJFAQSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000675935674 487794516 /nfs/dbraw/zinc/79/45/16/487794516.db2.gz MKMKGPBZKOIHIV-RRFJBIMHSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000675935675 487793909 /nfs/dbraw/zinc/79/39/09/487793909.db2.gz MKMKGPBZKOIHIV-SOUVJXGZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000675935676 487794189 /nfs/dbraw/zinc/79/41/89/487794189.db2.gz MKMKGPBZKOIHIV-ZNMIVQPWSA-N 1 0 239.403 3.526 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1c(F)cccc1F ZINC000675936319 487795363 /nfs/dbraw/zinc/79/53/63/487795363.db2.gz FEVLKJXGWFUPQS-JTQLQIEISA-N 1 0 239.309 3.633 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1c(F)cccc1F ZINC000675936320 487795318 /nfs/dbraw/zinc/79/53/18/487795318.db2.gz FEVLKJXGWFUPQS-SNVBAGLBSA-N 1 0 239.309 3.633 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000675938455 487795580 /nfs/dbraw/zinc/79/55/80/487795580.db2.gz LDOYHNGXBKLDCY-HNNXBMFYSA-N 1 0 227.351 3.717 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CC=CC2)c2ccccc21 ZINC000675938456 487795756 /nfs/dbraw/zinc/79/57/56/487795756.db2.gz LDOYHNGXBKLDCY-OAHLLOKOSA-N 1 0 227.351 3.717 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1ccc2ccccc2n1 ZINC000675938729 487795649 /nfs/dbraw/zinc/79/56/49/487795649.db2.gz YBBNVSCCULYFGZ-GFCCVEGCSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1ccc2ccccc2n1 ZINC000675938733 487795013 /nfs/dbraw/zinc/79/50/13/487795013.db2.gz YBBNVSCCULYFGZ-LBPRGKRZSA-N 1 0 238.334 3.604 20 0 BHADRO CC(C)c1ccc(C(C)(C)[NH2+]CCCF)cc1 ZINC000675961731 487796742 /nfs/dbraw/zinc/79/67/42/487796742.db2.gz AHLURZVWLBISGF-UHFFFAOYSA-N 1 0 237.362 3.994 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000675965071 487796419 /nfs/dbraw/zinc/79/64/19/487796419.db2.gz MCGBRTVRRGJTNX-AWEZNQCLSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000675965072 487796886 /nfs/dbraw/zinc/79/68/86/487796886.db2.gz MCGBRTVRRGJTNX-CQSZACIVSA-N 1 0 247.382 3.557 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(COC)CCC1 ZINC000676022582 487800029 /nfs/dbraw/zinc/80/00/29/487800029.db2.gz QRTTXAYDRBSDHT-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(COC)CCC1 ZINC000676022583 487800349 /nfs/dbraw/zinc/80/03/49/487800349.db2.gz QRTTXAYDRBSDHT-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(COC)CCC1 ZINC000676022584 487799904 /nfs/dbraw/zinc/79/99/04/487799904.db2.gz QRTTXAYDRBSDHT-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(COC)CCC1 ZINC000676022585 487800442 /nfs/dbraw/zinc/80/04/42/487800442.db2.gz QRTTXAYDRBSDHT-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000676040107 487802683 /nfs/dbraw/zinc/80/26/83/487802683.db2.gz RVULYJDZTKCTPK-HNNXBMFYSA-N 1 0 241.334 3.807 20 0 BHADRO c1c2ccccc2oc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000676040108 487803138 /nfs/dbraw/zinc/80/31/38/487803138.db2.gz RVULYJDZTKCTPK-OAHLLOKOSA-N 1 0 241.334 3.807 20 0 BHADRO Cc1cccc([C@H](C)[N@H+](C)CCOC(C)(C)C)c1 ZINC000676042086 487804642 /nfs/dbraw/zinc/80/46/42/487804642.db2.gz FGPVOSLTQCIIIK-AWEZNQCLSA-N 1 0 249.398 3.803 20 0 BHADRO Cc1cccc([C@@H](C)[N@H+](C)CCOC(C)(C)C)c1 ZINC000676042089 487804657 /nfs/dbraw/zinc/80/46/57/487804657.db2.gz FGPVOSLTQCIIIK-CQSZACIVSA-N 1 0 249.398 3.803 20 0 BHADRO CCC(C)(C)CC[N@H+](C)CCOC(C)(C)C ZINC000676042252 487804187 /nfs/dbraw/zinc/80/41/87/487804187.db2.gz HKKONAFPUFKUNE-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO Cc1cccc(C)c1C[N@H+](C)CCOC(C)(C)C ZINC000676043059 487804558 /nfs/dbraw/zinc/80/45/58/487804558.db2.gz JURNCDDORGRGQK-UHFFFAOYSA-N 1 0 249.398 3.550 20 0 BHADRO CC(C)CC[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000676043540 487802010 /nfs/dbraw/zinc/80/20/10/487802010.db2.gz GQVLDUREAYYYRY-CABCVRRESA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)CC[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000676043541 487802052 /nfs/dbraw/zinc/80/20/52/487802052.db2.gz GQVLDUREAYYYRY-GJZGRUSLSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000676043542 487802019 /nfs/dbraw/zinc/80/20/19/487802019.db2.gz GQVLDUREAYYYRY-HUUCEWRRSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)CC[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000676043543 487801976 /nfs/dbraw/zinc/80/19/76/487801976.db2.gz GQVLDUREAYYYRY-LSDHHAIUSA-N 1 0 217.356 3.520 20 0 BHADRO C[N@H+](CC1CCCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000676043867 488157128 /nfs/dbraw/zinc/15/71/28/488157128.db2.gz QXLHWYMCJCRJJY-CVEARBPZSA-N 1 0 229.367 3.665 20 0 BHADRO C[N@H+](CC1CCCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000676043872 488157035 /nfs/dbraw/zinc/15/70/35/488157035.db2.gz QXLHWYMCJCRJJY-HOTGVXAUSA-N 1 0 229.367 3.665 20 0 BHADRO C[N@H+](CC1CCCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000676043878 488157295 /nfs/dbraw/zinc/15/72/95/488157295.db2.gz QXLHWYMCJCRJJY-HZPDHXFCSA-N 1 0 229.367 3.665 20 0 BHADRO C[N@H+](CC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000676043880 488157169 /nfs/dbraw/zinc/15/71/69/488157169.db2.gz QXLHWYMCJCRJJY-JKSUJKDBSA-N 1 0 229.367 3.665 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+]Cc2cncs2)c1C ZINC000676044703 487804476 /nfs/dbraw/zinc/80/44/76/487804476.db2.gz ANFKVOUYLPIQMW-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc([C@H](C)[NH2+]Cc2cncs2)c1C ZINC000676044704 487804111 /nfs/dbraw/zinc/80/41/11/487804111.db2.gz ANFKVOUYLPIQMW-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000676045327 487805747 /nfs/dbraw/zinc/80/57/47/487805747.db2.gz REBKIDCYENMARR-DZGCQCFKSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000676045329 487805561 /nfs/dbraw/zinc/80/55/61/487805561.db2.gz REBKIDCYENMARR-HIFRSBDPSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000676045330 487805473 /nfs/dbraw/zinc/80/54/73/487805473.db2.gz REBKIDCYENMARR-UKRRQHHQSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)c1ccncc1 ZINC000676045332 487805187 /nfs/dbraw/zinc/80/51/87/487805187.db2.gz REBKIDCYENMARR-ZFWWWQNUSA-N 1 0 246.398 3.744 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000676085336 487812956 /nfs/dbraw/zinc/81/29/56/487812956.db2.gz CFCFDBJZLTVZKV-INIZCTEOSA-N 1 0 244.382 3.529 20 0 BHADRO CC(C)=CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000676085341 487812402 /nfs/dbraw/zinc/81/24/02/487812402.db2.gz CFCFDBJZLTVZKV-MRXNPFEDSA-N 1 0 244.382 3.529 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@@H](C)CCC=C(C)C ZINC000676132664 487816140 /nfs/dbraw/zinc/81/61/40/487816140.db2.gz YWWUTNFJJMRIQC-AWEZNQCLSA-N 1 0 241.419 3.774 20 0 BHADRO CCOCC(C)(C)C[NH2+][C@H](C)CCC=C(C)C ZINC000676132665 487816050 /nfs/dbraw/zinc/81/60/50/487816050.db2.gz YWWUTNFJJMRIQC-CQSZACIVSA-N 1 0 241.419 3.774 20 0 BHADRO CC(C)C([NH2+]Cc1cccc(N(C)C)c1)C(C)C ZINC000676160102 487817183 /nfs/dbraw/zinc/81/71/83/487817183.db2.gz FWYSOYITOGTBAN-UHFFFAOYSA-N 1 0 248.414 3.523 20 0 BHADRO FC(F)C1C[NH+](Cc2cccc3ccccc32)C1 ZINC000676222177 487823236 /nfs/dbraw/zinc/82/32/36/487823236.db2.gz CCYFGRZTJZFVKQ-UHFFFAOYSA-N 1 0 247.288 3.537 20 0 BHADRO COCc1ccc(C[NH2+]C(C(C)C)C(C)C)cc1 ZINC000676239015 487827160 /nfs/dbraw/zinc/82/71/60/487827160.db2.gz AWUZHEJRCLZAOF-UHFFFAOYSA-N 1 0 249.398 3.603 20 0 BHADRO CC(C)C([NH2+]Cc1cccc2cc[nH]c21)C(C)C ZINC000676239193 487826792 /nfs/dbraw/zinc/82/67/92/487826792.db2.gz KYPLHHNZSGXUDB-UHFFFAOYSA-N 1 0 244.382 3.938 20 0 BHADRO CC(C)C([NH2+]Cc1cccc2[nH]ccc21)C(C)C ZINC000676239315 487827108 /nfs/dbraw/zinc/82/71/08/487827108.db2.gz TXTGVYBAJSWDPK-UHFFFAOYSA-N 1 0 244.382 3.938 20 0 BHADRO CCCOc1cccc(CC[NH2+]CC(C)(C)C)c1 ZINC000676355988 487841981 /nfs/dbraw/zinc/84/19/81/487841981.db2.gz RKYGEACTKCKREL-UHFFFAOYSA-N 1 0 249.398 3.654 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CC)C(C)C ZINC000676409602 487849002 /nfs/dbraw/zinc/84/90/02/487849002.db2.gz OUVJSGBCDGQIJU-AWEZNQCLSA-N 1 0 205.345 3.868 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CC)C(C)C ZINC000676409603 487848579 /nfs/dbraw/zinc/84/85/79/487848579.db2.gz OUVJSGBCDGQIJU-CQSZACIVSA-N 1 0 205.345 3.868 20 0 BHADRO Cc1cc(F)ccc1C[N@H+](C)Cc1ccccc1 ZINC000676412458 487848966 /nfs/dbraw/zinc/84/89/66/487848966.db2.gz JZPCYWPFATYIGD-UHFFFAOYSA-N 1 0 243.325 3.766 20 0 BHADRO CCC[N@H+](CC)Cc1ccccc1C1CC1 ZINC000676413324 487848334 /nfs/dbraw/zinc/84/83/34/487848334.db2.gz BSZZBIIQXCSTAL-UHFFFAOYSA-N 1 0 217.356 3.796 20 0 BHADRO CC(C)(C)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000676422300 487849914 /nfs/dbraw/zinc/84/99/14/487849914.db2.gz UVTAXGVGSQHRIX-UHFFFAOYSA-N 1 0 231.383 3.645 20 0 BHADRO CCC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccn1 ZINC000676488360 487855939 /nfs/dbraw/zinc/85/59/39/487855939.db2.gz BCVGZLRBIMDNRB-HNNXBMFYSA-N 1 0 244.382 3.845 20 0 BHADRO CCC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccn1 ZINC000676488362 487855388 /nfs/dbraw/zinc/85/53/88/487855388.db2.gz BCVGZLRBIMDNRB-OAHLLOKOSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC2(CCC2)C1 ZINC000676488873 487856113 /nfs/dbraw/zinc/85/61/13/487856113.db2.gz HTVHTIGFPLHPKB-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC2(CCC2)C1 ZINC000676488875 487855795 /nfs/dbraw/zinc/85/57/95/487855795.db2.gz HTVHTIGFPLHPKB-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(F)c1 ZINC000676488894 487855557 /nfs/dbraw/zinc/85/55/57/487855557.db2.gz LEHQAMOCDDIBLJ-LLVKDONJSA-N 1 0 233.330 3.809 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(F)c1 ZINC000676488914 487855639 /nfs/dbraw/zinc/85/56/39/487855639.db2.gz LEHQAMOCDDIBLJ-NSHDSACASA-N 1 0 233.330 3.809 20 0 BHADRO CCc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000676489582 487855654 /nfs/dbraw/zinc/85/56/54/487855654.db2.gz KFEIUXRPTFNZQM-UHFFFAOYSA-N 1 0 229.367 3.671 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C1CC2(CCC2)C1 ZINC000676490197 487855644 /nfs/dbraw/zinc/85/56/44/487855644.db2.gz NXBLRRAJLPCSOD-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO Cc1ccncc1C[N@H+](C1CC1)C1CCCCC1 ZINC000676556229 487871742 /nfs/dbraw/zinc/87/17/42/487871742.db2.gz PFCGYMDVKVFCDS-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)C2CCCCC2)nc1 ZINC000676556551 487871657 /nfs/dbraw/zinc/87/16/57/487871657.db2.gz UOMKRIBYWQDMNR-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1coc2ccccc12 ZINC000676568684 487874768 /nfs/dbraw/zinc/87/47/68/487874768.db2.gz LIPZWIOQUQQFGE-UHFFFAOYSA-N 1 0 231.339 3.957 20 0 BHADRO Cc1ccc(C[N@@H+](C)CC2CCC(C)CC2)nc1 ZINC000676625041 487880887 /nfs/dbraw/zinc/88/08/87/487880887.db2.gz SHQGGPISIIMEBJ-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000676639321 487886277 /nfs/dbraw/zinc/88/62/77/487886277.db2.gz KIFGLUKXTWNUBZ-BMFZPTHFSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000676639322 487706040 /nfs/dbraw/zinc/70/60/40/487706040.db2.gz KIFGLUKXTWNUBZ-FVQBIDKESA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000676639323 487706206 /nfs/dbraw/zinc/70/62/06/487706206.db2.gz KIFGLUKXTWNUBZ-KBMXLJTQSA-N 1 0 246.398 3.599 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000676639324 487705998 /nfs/dbraw/zinc/70/59/98/487705998.db2.gz KIFGLUKXTWNUBZ-VNQPRFMTSA-N 1 0 246.398 3.599 20 0 BHADRO CCCCC1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000676639592 487885016 /nfs/dbraw/zinc/88/50/16/487885016.db2.gz OIFPNZQFTBFITC-PPWQZUPISA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000676639593 487884529 /nfs/dbraw/zinc/88/45/29/487884529.db2.gz OIFPNZQFTBFITC-URGYJCLVSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000676639594 487884950 /nfs/dbraw/zinc/88/49/50/487884950.db2.gz OIFPNZQFTBFITC-VXGQWTEUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000676639595 487885808 /nfs/dbraw/zinc/88/58/08/487885808.db2.gz OIFPNZQFTBFITC-XSCHDIRWSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1occc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000676642929 487885769 /nfs/dbraw/zinc/88/57/69/487885769.db2.gz GINHGRYGLWRXRD-IHWYPQMZSA-N 1 0 245.297 3.530 20 0 BHADRO Cc1occc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000676642937 487886132 /nfs/dbraw/zinc/88/61/32/487886132.db2.gz GINHGRYGLWRXRD-NSCUHMNNSA-N 1 0 245.297 3.530 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@H]2CC(C)C)nc1 ZINC000676706714 487897543 /nfs/dbraw/zinc/89/75/43/487897543.db2.gz CTQZTONEWYPNJF-INIZCTEOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(C)C)nc1 ZINC000676706715 487897344 /nfs/dbraw/zinc/89/73/44/487897344.db2.gz CTQZTONEWYPNJF-MRXNPFEDSA-N 1 0 246.398 3.791 20 0 BHADRO COc1cccc(C(C)(C)C[NH2+]CC(C)(C)C)c1 ZINC000676725651 487906213 /nfs/dbraw/zinc/90/62/13/487906213.db2.gz QARCTVQNTIXOPQ-UHFFFAOYSA-N 1 0 249.398 3.609 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000676872302 487938933 /nfs/dbraw/zinc/93/89/33/487938933.db2.gz NJLAGPRBPXIOLH-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000676872304 487938595 /nfs/dbraw/zinc/93/85/95/487938595.db2.gz NJLAGPRBPXIOLH-KNCOVGOOSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000676872305 487938822 /nfs/dbraw/zinc/93/88/22/487938822.db2.gz NJLAGPRBPXIOLH-MCIONIFRSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000676872306 487938190 /nfs/dbraw/zinc/93/81/90/487938190.db2.gz NJLAGPRBPXIOLH-MGPQQGTHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC1CCCC1)c1ccncc1 ZINC000676872618 487939750 /nfs/dbraw/zinc/93/97/50/487939750.db2.gz QNLRBHBGWLNCNM-KBPBESRZSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000676872619 487939953 /nfs/dbraw/zinc/93/99/53/487939953.db2.gz QNLRBHBGWLNCNM-KGLIPLIRSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@H](C)c1ccncc1 ZINC000676872621 487939569 /nfs/dbraw/zinc/93/95/69/487939569.db2.gz QNLRBHBGWLNCNM-UONOGXRCSA-N 1 0 246.398 3.744 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000676872622 487939971 /nfs/dbraw/zinc/93/99/71/487939971.db2.gz QNLRBHBGWLNCNM-ZIAGYGMSSA-N 1 0 246.398 3.744 20 0 BHADRO CCc1cc(N2CCCCC2)c2ccccc2[nH+]1 ZINC000676877189 487939884 /nfs/dbraw/zinc/93/98/84/487939884.db2.gz WJHUTRMYMYRWLP-UHFFFAOYSA-N 1 0 240.350 3.788 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH+]1C2CCC1CC2 ZINC000676883554 487941765 /nfs/dbraw/zinc/94/17/65/487941765.db2.gz SGQKKTNNEUTWAX-NWHVRFAMSA-N 1 0 247.769 3.954 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH+]1C2CCC1CC2 ZINC000676883558 487941924 /nfs/dbraw/zinc/94/19/24/487941924.db2.gz SGQKKTNNEUTWAX-QKFMDRJYSA-N 1 0 247.769 3.954 20 0 BHADRO CC1(C)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000676885719 487792855 /nfs/dbraw/zinc/79/28/55/487792855.db2.gz ADWJYJPBUMBVBA-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO Clc1ccccc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000676899722 487943579 /nfs/dbraw/zinc/94/35/79/487943579.db2.gz FCWINCKXKSTJSK-CYBMUJFWSA-N 1 0 249.785 3.828 20 0 BHADRO Clc1ccccc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000676899730 487943463 /nfs/dbraw/zinc/94/34/63/487943463.db2.gz FCWINCKXKSTJSK-ZDUSSCGKSA-N 1 0 249.785 3.828 20 0 BHADRO Fc1cccc(CCC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000676902158 487943847 /nfs/dbraw/zinc/94/38/47/487943847.db2.gz MYRIBVPMVTXZPE-HNNXBMFYSA-N 1 0 247.357 3.704 20 0 BHADRO Fc1cccc(C2([NH2+]C[C@@H]3CC=CCC3)CC2)c1 ZINC000676902171 487799393 /nfs/dbraw/zinc/79/93/93/487799393.db2.gz YNBIKUASKSRPIN-CYBMUJFWSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1cccc(C2([NH2+]C[C@H]3CC=CCC3)CC2)c1 ZINC000676902172 487799585 /nfs/dbraw/zinc/79/95/85/487799585.db2.gz YNBIKUASKSRPIN-ZDUSSCGKSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1cccc(CCC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000676902173 487943808 /nfs/dbraw/zinc/94/38/08/487943808.db2.gz MYRIBVPMVTXZPE-OAHLLOKOSA-N 1 0 247.357 3.704 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000676902661 487944373 /nfs/dbraw/zinc/94/43/73/487944373.db2.gz MMFQDTMACHMDDL-NEPJUHHUSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000676902663 487944129 /nfs/dbraw/zinc/94/41/29/487944129.db2.gz MMFQDTMACHMDDL-NWDGAFQWSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000676902664 487944237 /nfs/dbraw/zinc/94/42/37/487944237.db2.gz MMFQDTMACHMDDL-RYUDHWBXSA-N 1 0 245.357 3.980 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000676902665 487944457 /nfs/dbraw/zinc/94/44/57/487944457.db2.gz MMFQDTMACHMDDL-VXGBXAGGSA-N 1 0 245.357 3.980 20 0 BHADRO c1ccc(C[C@@H]2C[C@@H]2[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000676902876 487944121 /nfs/dbraw/zinc/94/41/21/487944121.db2.gz CILZPONJRDGHOX-BBWFWOEESA-N 1 0 241.378 3.564 20 0 BHADRO c1ccc(C[C@@H]2C[C@H]2[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000676902877 487944119 /nfs/dbraw/zinc/94/41/19/487944119.db2.gz CILZPONJRDGHOX-GVDBMIGSSA-N 1 0 241.378 3.564 20 0 BHADRO c1ccc(C[C@H]2C[C@@H]2[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000676902878 487944147 /nfs/dbraw/zinc/94/41/47/487944147.db2.gz CILZPONJRDGHOX-ULQDDVLXSA-N 1 0 241.378 3.564 20 0 BHADRO c1ccc(C[C@H]2C[C@H]2[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000676902879 487944721 /nfs/dbraw/zinc/94/47/21/487944721.db2.gz CILZPONJRDGHOX-YESZJQIVSA-N 1 0 241.378 3.564 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000676902993 487944325 /nfs/dbraw/zinc/94/43/25/487944325.db2.gz UODKPXDYFMEUFW-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC(CC)C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000676902994 487944711 /nfs/dbraw/zinc/94/47/11/487944711.db2.gz UODKPXDYFMEUFW-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000676904553 487945398 /nfs/dbraw/zinc/94/53/98/487945398.db2.gz JITXPRZFGTWEBA-CYBMUJFWSA-N 1 0 242.366 3.759 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000676904555 487944517 /nfs/dbraw/zinc/94/45/17/487944517.db2.gz JITXPRZFGTWEBA-ZDUSSCGKSA-N 1 0 242.366 3.759 20 0 BHADRO C[C@H]1CC[N@H+](CCCOC(C)(C)C)C[C@@H](C)C1 ZINC000676905049 487945052 /nfs/dbraw/zinc/94/50/52/487945052.db2.gz QENKYBDHAVTTCT-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1CC[N@H+](CCCOC(C)(C)C)C[C@@H](C)C1 ZINC000676905050 487943397 /nfs/dbraw/zinc/94/33/97/487943397.db2.gz QENKYBDHAVTTCT-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H]1CC[N@H+](CCCOC(C)(C)C)C[C@H](C)C1 ZINC000676905051 487943441 /nfs/dbraw/zinc/94/34/41/487943441.db2.gz QENKYBDHAVTTCT-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1C[C@H](C)CC[N@H+](CCCOC(C)(C)C)C1 ZINC000676905052 487943456 /nfs/dbraw/zinc/94/34/56/487943456.db2.gz QENKYBDHAVTTCT-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000676905349 487945448 /nfs/dbraw/zinc/94/54/48/487945448.db2.gz YQDSQBWWURDFSR-HZSPNIEDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000676905350 487945119 /nfs/dbraw/zinc/94/51/19/487945119.db2.gz YQDSQBWWURDFSR-MCIONIFRSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000676905351 487945238 /nfs/dbraw/zinc/94/52/38/487945238.db2.gz YQDSQBWWURDFSR-MGPQQGTHSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000676905352 487945110 /nfs/dbraw/zinc/94/51/10/487945110.db2.gz YQDSQBWWURDFSR-RDBSUJKOSA-N 1 0 232.371 3.511 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CC1(C2CC2)CC1 ZINC000676906111 487945278 /nfs/dbraw/zinc/94/52/78/487945278.db2.gz XGUSMYXWXNTILF-KAMYIIQDSA-N 1 0 241.378 3.870 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CC1(C2CC2)CC1 ZINC000676906112 487945211 /nfs/dbraw/zinc/94/52/11/487945211.db2.gz XGUSMYXWXNTILF-SDNWHVSQSA-N 1 0 241.378 3.870 20 0 BHADRO c1ccc(SCC[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000676906390 487945260 /nfs/dbraw/zinc/94/52/60/487945260.db2.gz WPJXURIDAPJMQO-UONOGXRCSA-N 1 0 245.391 3.572 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000676906442 487945403 /nfs/dbraw/zinc/94/54/03/487945403.db2.gz ZEXFCWDYQXBLBF-UXLLHSPISA-N 1 0 239.362 3.857 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000676906443 487945232 /nfs/dbraw/zinc/94/52/32/487945232.db2.gz ZEXFCWDYQXBLBF-ZMSDIMECSA-N 1 0 239.362 3.857 20 0 BHADRO c1c2ccccc2oc1C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000676907661 491121605 /nfs/dbraw/zinc/12/16/05/491121605.db2.gz JUWVDNJFPCKXME-UONOGXRCSA-N 1 0 239.318 3.726 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@H](C3CC3)C2)cs1 ZINC000677008816 487955838 /nfs/dbraw/zinc/95/58/38/487955838.db2.gz HWDBATNGULKVKN-HNNXBMFYSA-N 1 0 249.423 3.803 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@@H](C3CC3)C2)cs1 ZINC000677008821 487955619 /nfs/dbraw/zinc/95/56/19/487955619.db2.gz HWDBATNGULKVKN-OAHLLOKOSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677018584 487955604 /nfs/dbraw/zinc/95/56/04/487955604.db2.gz JYHKEDFCRUEGJO-BBRMVZONSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677018586 487955454 /nfs/dbraw/zinc/95/54/54/487955454.db2.gz JYHKEDFCRUEGJO-CJNGLKHVSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677018587 487955562 /nfs/dbraw/zinc/95/55/62/487955562.db2.gz JYHKEDFCRUEGJO-CZUORRHYSA-N 1 0 229.367 3.870 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677018588 487955684 /nfs/dbraw/zinc/95/56/84/487955684.db2.gz JYHKEDFCRUEGJO-XJKSGUPXSA-N 1 0 229.367 3.870 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677029568 487956412 /nfs/dbraw/zinc/95/64/12/487956412.db2.gz PCANTIAUABQKPB-AUNFYEFLSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677029569 487956407 /nfs/dbraw/zinc/95/64/07/487956407.db2.gz PCANTIAUABQKPB-IOMDMTNGSA-N 1 0 241.378 3.822 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677029571 487956437 /nfs/dbraw/zinc/95/64/37/487956437.db2.gz PCANTIAUABQKPB-LYLYKKCESA-N 1 0 241.378 3.822 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677029572 487956376 /nfs/dbraw/zinc/95/63/76/487956376.db2.gz PCANTIAUABQKPB-RLXIPRIJSA-N 1 0 241.378 3.822 20 0 BHADRO CC(C)(C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677041747 487956248 /nfs/dbraw/zinc/95/62/48/487956248.db2.gz GJFVAUKDUDXIAW-CYBMUJFWSA-N 1 0 239.309 3.588 20 0 BHADRO CC(C)(C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677041757 487956809 /nfs/dbraw/zinc/95/68/09/487956809.db2.gz GJFVAUKDUDXIAW-ZDUSSCGKSA-N 1 0 239.309 3.588 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677042034 487956324 /nfs/dbraw/zinc/95/63/24/487956324.db2.gz DDSXWDFCPQCMOU-AWEZNQCLSA-N 1 0 239.309 3.732 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677042035 487956823 /nfs/dbraw/zinc/95/68/23/487956823.db2.gz DDSXWDFCPQCMOU-CQSZACIVSA-N 1 0 239.309 3.732 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677042097 487956622 /nfs/dbraw/zinc/95/66/22/487956622.db2.gz DNFBGZRVERCGLO-LKFCYVNXSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677042098 487956262 /nfs/dbraw/zinc/95/62/62/487956262.db2.gz DNFBGZRVERCGLO-OTYXRUKQSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677042099 487956425 /nfs/dbraw/zinc/95/64/25/487956425.db2.gz DNFBGZRVERCGLO-XPTSAGLGSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677042100 487956450 /nfs/dbraw/zinc/95/64/50/487956450.db2.gz DNFBGZRVERCGLO-YMTOWFKASA-N 1 0 239.309 3.730 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677042181 487956782 /nfs/dbraw/zinc/95/67/82/487956782.db2.gz FQHRWYNDFNIWFV-AWEZNQCLSA-N 1 0 239.309 3.730 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677042183 487956543 /nfs/dbraw/zinc/95/65/43/487956543.db2.gz FQHRWYNDFNIWFV-CQSZACIVSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000677042203 487956313 /nfs/dbraw/zinc/95/63/13/487956313.db2.gz GDICZYKHCUHTRZ-NOZJJQNGSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000677042205 487954299 /nfs/dbraw/zinc/95/42/99/487954299.db2.gz GDICZYKHCUHTRZ-RNCFNFMXSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000677042207 487954846 /nfs/dbraw/zinc/95/48/46/487954846.db2.gz GDICZYKHCUHTRZ-TVQRCGJNSA-N 1 0 239.309 3.730 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000677042209 487956252 /nfs/dbraw/zinc/95/62/52/487956252.db2.gz GDICZYKHCUHTRZ-ZANVPECISA-N 1 0 239.309 3.730 20 0 BHADRO CC(C)CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677043951 487957463 /nfs/dbraw/zinc/95/74/63/487957463.db2.gz WCECNOADIOIDAF-AWEZNQCLSA-N 1 0 239.309 3.588 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677043952 487958150 /nfs/dbraw/zinc/95/81/50/487958150.db2.gz WCECNOADIOIDAF-CQSZACIVSA-N 1 0 239.309 3.588 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677046920 487957446 /nfs/dbraw/zinc/95/74/46/487957446.db2.gz IMWCRJSWSWPKMS-DOTOQJQBSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677046921 487957896 /nfs/dbraw/zinc/95/78/96/487957896.db2.gz IMWCRJSWSWPKMS-NVXWUHKLSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677046922 487957969 /nfs/dbraw/zinc/95/79/69/487957969.db2.gz IMWCRJSWSWPKMS-RDJZCZTQSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677046923 491125413 /nfs/dbraw/zinc/12/54/13/491125413.db2.gz IMWCRJSWSWPKMS-WBVHZDCISA-N 1 0 241.378 3.796 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677056814 487962333 /nfs/dbraw/zinc/96/23/33/487962333.db2.gz CGUOSKOMTNBULM-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)CCCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677056815 487962098 /nfs/dbraw/zinc/96/20/98/487962098.db2.gz CGUOSKOMTNBULM-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677056903 487962311 /nfs/dbraw/zinc/96/23/11/487962311.db2.gz LVUAANOIXLPPFY-INIZCTEOSA-N 1 0 229.367 3.617 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677056904 487962108 /nfs/dbraw/zinc/96/21/08/487962108.db2.gz LVUAANOIXLPPFY-MRXNPFEDSA-N 1 0 229.367 3.617 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH+]1C3CCC1CC3)CCC2 ZINC000677057589 487859412 /nfs/dbraw/zinc/85/94/12/487859412.db2.gz DLBPQFQWAQIBMD-XUJLQICISA-N 1 0 245.341 3.830 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1C3CCC1CC3)CCC2 ZINC000677057591 487859358 /nfs/dbraw/zinc/85/93/58/487859358.db2.gz DLBPQFQWAQIBMD-ZBCRRDGASA-N 1 0 245.341 3.830 20 0 BHADRO CC(C)(C)CC[NH+]1CCC(c2ccccn2)CC1 ZINC000677187397 487993985 /nfs/dbraw/zinc/99/39/85/487993985.db2.gz KFSSDGWXSKGTLK-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CCC(CC)[N@H+](CC)CCCOC(C)(C)C ZINC000677235295 488003087 /nfs/dbraw/zinc/00/30/87/488003087.db2.gz SVHLRHLYBGOBHG-UHFFFAOYSA-N 1 0 229.408 3.702 20 0 BHADRO CC1([NH2+]Cc2ccc(-c3ccccc3)o2)CCC1 ZINC000677246069 488006272 /nfs/dbraw/zinc/00/62/72/488006272.db2.gz GRHKFDDSPLYRBV-UHFFFAOYSA-N 1 0 241.334 3.979 20 0 BHADRO CC1=CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000677308001 488043273 /nfs/dbraw/zinc/04/32/73/488043273.db2.gz QIFXCLIYVSBXHN-UHFFFAOYSA-N 1 0 242.297 3.530 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cccnc2c1)C1CCC1 ZINC000677323547 488017987 /nfs/dbraw/zinc/01/79/87/488017987.db2.gz QFTLYRRULGJLPK-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2cccnc2c1)C1CCC1 ZINC000677323548 488018134 /nfs/dbraw/zinc/01/81/34/488018134.db2.gz QFTLYRRULGJLPK-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[N@@H+](C2CCCC2)Cc2ccccc2O1 ZINC000677510201 488059928 /nfs/dbraw/zinc/05/99/28/488059928.db2.gz KDPAKMQRMGCUPW-UHFFFAOYSA-N 1 0 245.366 3.602 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]Cc2ccccn2)C[C@@H]1C ZINC000677519036 488063277 /nfs/dbraw/zinc/06/32/77/488063277.db2.gz PUVRMORCEQHICT-DZKIICNBSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)C[C@H]1C ZINC000677519037 488063026 /nfs/dbraw/zinc/06/30/26/488063026.db2.gz PUVRMORCEQHICT-FMKPAKJESA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)C[C@@H]1C ZINC000677519038 488063350 /nfs/dbraw/zinc/06/33/50/488063350.db2.gz PUVRMORCEQHICT-LZWOXQAQSA-N 1 0 246.398 3.632 20 0 BHADRO CC(C)[C@@H]1CC[C@H]([NH2+]Cc2ccccn2)C[C@H]1C ZINC000677519039 488063367 /nfs/dbraw/zinc/06/33/67/488063367.db2.gz PUVRMORCEQHICT-YCPHGPKFSA-N 1 0 246.398 3.632 20 0 BHADRO COc1ccc(C[C@@H](C)C[NH2+]CC(C)(C)C)cc1 ZINC000677521168 488064058 /nfs/dbraw/zinc/06/40/58/488064058.db2.gz FWIADTKAXHKQTI-CYBMUJFWSA-N 1 0 249.398 3.510 20 0 BHADRO COc1ccc(C[C@H](C)C[NH2+]CC(C)(C)C)cc1 ZINC000677521169 488063754 /nfs/dbraw/zinc/06/37/54/488063754.db2.gz FWIADTKAXHKQTI-ZDUSSCGKSA-N 1 0 249.398 3.510 20 0 BHADRO C[C@H](c1ccncc1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000677561182 488074059 /nfs/dbraw/zinc/07/40/59/488074059.db2.gz JFSNHNRDYXYKKK-CYBMUJFWSA-N 1 0 244.382 3.821 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000677561183 488074189 /nfs/dbraw/zinc/07/41/89/488074189.db2.gz JFSNHNRDYXYKKK-ZDUSSCGKSA-N 1 0 244.382 3.821 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000677713154 488096442 /nfs/dbraw/zinc/09/64/42/488096442.db2.gz CCKFWLPDHMAONN-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000677713155 488096467 /nfs/dbraw/zinc/09/64/67/488096467.db2.gz CCKFWLPDHMAONN-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000677716087 488098748 /nfs/dbraw/zinc/09/87/48/488098748.db2.gz LUWNYTWJVUZGKY-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000677716088 488098674 /nfs/dbraw/zinc/09/86/74/488098674.db2.gz LUWNYTWJVUZGKY-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO c1cc(C[NH+]2CCC3(CC3)CC2)cc2c1CCC2 ZINC000677716457 488188423 /nfs/dbraw/zinc/18/84/23/488188423.db2.gz GLLLRDSZXJKNGS-UHFFFAOYSA-N 1 0 241.378 3.551 20 0 BHADRO Cc1cc(C)cc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000677716568 488189316 /nfs/dbraw/zinc/18/93/16/488189316.db2.gz KJANZRUKUZIRDA-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC2)CC1 ZINC000677716730 488098924 /nfs/dbraw/zinc/09/89/24/488098924.db2.gz MMSKVYZOHJXAFX-INIZCTEOSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC2)CC1 ZINC000677716731 488099018 /nfs/dbraw/zinc/09/90/18/488099018.db2.gz MMSKVYZOHJXAFX-MRXNPFEDSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc(SCC[NH+]2CCC3(CC3)CC2)cc1 ZINC000677717187 488098700 /nfs/dbraw/zinc/09/87/00/488098700.db2.gz GRBVOGHVWVYCKG-UHFFFAOYSA-N 1 0 247.407 3.655 20 0 BHADRO C[C@H](c1ccccc1)[NH+]1CCC2(CC2)CC1 ZINC000677717383 488099272 /nfs/dbraw/zinc/09/92/72/488099272.db2.gz JUMMCISYOWMTQF-CYBMUJFWSA-N 1 0 215.340 3.624 20 0 BHADRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC2)CC1 ZINC000677717384 488099802 /nfs/dbraw/zinc/09/98/02/488099802.db2.gz JUMMCISYOWMTQF-ZDUSSCGKSA-N 1 0 215.340 3.624 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC2)CC1 ZINC000677717403 488099829 /nfs/dbraw/zinc/09/98/29/488099829.db2.gz KUZBFCCUMZOPMO-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC2)CC1 ZINC000677717404 488098683 /nfs/dbraw/zinc/09/86/83/488098683.db2.gz KUZBFCCUMZOPMO-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1cc(C[NH+]2CCC3(CC3)CC2)c(C)s1 ZINC000677717502 488190822 /nfs/dbraw/zinc/19/08/22/488190822.db2.gz XDHDESZVMQIWIC-UHFFFAOYSA-N 1 0 235.396 3.741 20 0 BHADRO COc1cccc([C@@H](C)[NH+]2CCC3(CC3)CC2)c1 ZINC000677717519 490588009 /nfs/dbraw/zinc/58/80/09/490588009.db2.gz XNPDBOHIZRSQOT-CYBMUJFWSA-N 1 0 245.366 3.632 20 0 BHADRO COc1cccc([C@H](C)[NH+]2CCC3(CC3)CC2)c1 ZINC000677717521 490588232 /nfs/dbraw/zinc/58/82/32/490588232.db2.gz XNPDBOHIZRSQOT-ZDUSSCGKSA-N 1 0 245.366 3.632 20 0 BHADRO Clc1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC000677717578 488100444 /nfs/dbraw/zinc/10/04/44/488100444.db2.gz JUQSLLYYEWYHJN-UHFFFAOYSA-N 1 0 235.758 3.716 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1CCC2(CC2)CC1 ZINC000677717702 488099962 /nfs/dbraw/zinc/09/99/62/488099962.db2.gz ZVGKLNKJCZFBFB-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1CCC2(CC2)CC1 ZINC000677717703 488100467 /nfs/dbraw/zinc/10/04/67/488100467.db2.gz ZVGKLNKJCZFBFB-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO Cc1cccc(C)c1C[NH+]1CCC2(CC2)CC1 ZINC000677717865 488100074 /nfs/dbraw/zinc/10/00/74/488100074.db2.gz OHTYUWPLPCEZNV-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CSc1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC000677717897 488100055 /nfs/dbraw/zinc/10/00/55/488100055.db2.gz PCESCOICNPVYFN-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2CCC3(CC3)CC2)c1 ZINC000677717974 488100229 /nfs/dbraw/zinc/10/02/29/488100229.db2.gz QQVYIQVETIMNGO-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2CCC3(CC3)CC2)c1 ZINC000677717975 488099807 /nfs/dbraw/zinc/09/98/07/488099807.db2.gz QQVYIQVETIMNGO-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1CCC2(CC2)CC1 ZINC000677718043 488099860 /nfs/dbraw/zinc/09/98/60/488099860.db2.gz WBHWCOOCEZSRGC-GFCCVEGCSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CC2)CC1 ZINC000677718044 488100293 /nfs/dbraw/zinc/10/02/93/488100293.db2.gz WBHWCOOCEZSRGC-LBPRGKRZSA-N 1 0 233.330 3.763 20 0 BHADRO C[C@@H](C[NH+]1CCC2(CC2)CC1)c1ccccc1 ZINC000677718118 488100024 /nfs/dbraw/zinc/10/00/24/488100024.db2.gz XNVUJGUCGDDLBR-AWEZNQCLSA-N 1 0 229.367 3.666 20 0 BHADRO C[C@H](C[NH+]1CCC2(CC2)CC1)c1ccccc1 ZINC000677718138 488100454 /nfs/dbraw/zinc/10/04/54/488100454.db2.gz XNVUJGUCGDDLBR-CQSZACIVSA-N 1 0 229.367 3.666 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCC3(CC3)CC1)CC2 ZINC000677718271 488100287 /nfs/dbraw/zinc/10/02/87/488100287.db2.gz VCNCYDBOVZJCLK-HNNXBMFYSA-N 1 0 245.341 3.689 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH+]1CCC3(CC3)CC1)CC2 ZINC000677718272 488100414 /nfs/dbraw/zinc/10/04/14/488100414.db2.gz VCNCYDBOVZJCLK-OAHLLOKOSA-N 1 0 245.341 3.689 20 0 BHADRO C[C@@H](CCc1ccccc1)[NH+]1CCC2(CC2)CC1 ZINC000677718283 488100109 /nfs/dbraw/zinc/10/01/09/488100109.db2.gz VZVXOLAIUWBHLI-HNNXBMFYSA-N 1 0 243.394 3.884 20 0 BHADRO C[C@H](CCc1ccccc1)[NH+]1CCC2(CC2)CC1 ZINC000677718284 488100078 /nfs/dbraw/zinc/10/00/78/488100078.db2.gz VZVXOLAIUWBHLI-OAHLLOKOSA-N 1 0 243.394 3.884 20 0 BHADRO Clc1ccccc1C[NH+]1CCC2(CC2)CC1 ZINC000677718319 488100119 /nfs/dbraw/zinc/10/01/19/488100119.db2.gz YGIOHBLIUWWGSS-UHFFFAOYSA-N 1 0 235.758 3.716 20 0 BHADRO Cc1ccc(C)c(C[NH+]2CCC3(CC3)CC2)c1 ZINC000677718325 488190770 /nfs/dbraw/zinc/19/07/70/488190770.db2.gz YQVOLXCWCVPAJS-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO Clc1ccc(C[NH+]2CCC3(CC3)CC2)s1 ZINC000677718481 488100219 /nfs/dbraw/zinc/10/02/19/488100219.db2.gz CHSMLRIEIWRECT-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCC2(CC2)CC1 ZINC000677718859 488192490 /nfs/dbraw/zinc/19/24/90/488192490.db2.gz KVRJJTXGKOIRKB-AWEZNQCLSA-N 1 0 229.367 3.932 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCC2(CC2)CC1 ZINC000677718862 488192592 /nfs/dbraw/zinc/19/25/92/488192592.db2.gz KVRJJTXGKOIRKB-CQSZACIVSA-N 1 0 229.367 3.932 20 0 BHADRO c1c2ccccc2oc1C[NH+]1CCC2(CC2)CC1 ZINC000677718929 488100006 /nfs/dbraw/zinc/10/00/06/488100006.db2.gz NTNKJICPAQEIGD-UHFFFAOYSA-N 1 0 241.334 3.809 20 0 BHADRO Clc1cccc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000677719532 488101345 /nfs/dbraw/zinc/10/13/45/488101345.db2.gz XIFBRDMAMMGNLW-UHFFFAOYSA-N 1 0 235.758 3.716 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729381 488106149 /nfs/dbraw/zinc/10/61/49/488106149.db2.gz DSFQDJVUCOURLY-CHWSQXEVSA-N 1 0 239.309 3.725 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729382 488107072 /nfs/dbraw/zinc/10/70/72/488107072.db2.gz DSFQDJVUCOURLY-OLZOCXBDSA-N 1 0 239.309 3.725 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729383 488105995 /nfs/dbraw/zinc/10/59/95/488105995.db2.gz DSFQDJVUCOURLY-QWHCGFSZSA-N 1 0 239.309 3.725 20 0 BHADRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729384 488106911 /nfs/dbraw/zinc/10/69/11/488106911.db2.gz DSFQDJVUCOURLY-STQMWFEESA-N 1 0 239.309 3.725 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677731189 488110009 /nfs/dbraw/zinc/11/00/09/488110009.db2.gz FGTCFNCFLONOQJ-AGIUHOORSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677731191 488109450 /nfs/dbraw/zinc/10/94/50/488109450.db2.gz FGTCFNCFLONOQJ-FRRDWIJNSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677731193 488207970 /nfs/dbraw/zinc/20/79/70/488207970.db2.gz FGTCFNCFLONOQJ-JHJVBQTASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677731198 488207984 /nfs/dbraw/zinc/20/79/84/488207984.db2.gz FGTCFNCFLONOQJ-UPJWGTAASA-N 1 0 245.357 3.790 20 0 BHADRO FC(F)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000677733191 488111503 /nfs/dbraw/zinc/11/15/03/488111503.db2.gz SMRXFYHHEOYTTQ-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO FC(F)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000677733192 488111098 /nfs/dbraw/zinc/11/10/98/488111098.db2.gz SMRXFYHHEOYTTQ-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000677733703 488110950 /nfs/dbraw/zinc/11/09/50/488110950.db2.gz ROZCLVNKWYAWPU-AAEUAGOBSA-N 1 0 239.309 3.643 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000677733707 488111848 /nfs/dbraw/zinc/11/18/48/488111848.db2.gz ROZCLVNKWYAWPU-DGCLKSJQSA-N 1 0 239.309 3.643 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000677733710 488111344 /nfs/dbraw/zinc/11/13/44/488111344.db2.gz ROZCLVNKWYAWPU-WCQYABFASA-N 1 0 239.309 3.643 20 0 BHADRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000677733712 488111121 /nfs/dbraw/zinc/11/11/21/488111121.db2.gz ROZCLVNKWYAWPU-YPMHNXCESA-N 1 0 239.309 3.643 20 0 BHADRO CCC(C)(C)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734202 488112549 /nfs/dbraw/zinc/11/25/49/488112549.db2.gz QUTKEOQZGAVPSH-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)CC2(C[NH+](CCCC3CCCC3)C2)C1 ZINC000677734445 488110264 /nfs/dbraw/zinc/11/02/64/488110264.db2.gz SJKZRHDWTHGALH-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO FC(F)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000677735420 488114010 /nfs/dbraw/zinc/11/40/10/488114010.db2.gz CJCXHKKWQWRAII-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO FC(F)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000677735421 488113971 /nfs/dbraw/zinc/11/39/71/488113971.db2.gz CJCXHKKWQWRAII-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677736278 488114217 /nfs/dbraw/zinc/11/42/17/488114217.db2.gz LUQIPUDXBRHVGV-NEPJUHHUSA-N 1 0 239.309 3.643 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677736279 488114077 /nfs/dbraw/zinc/11/40/77/488114077.db2.gz LUQIPUDXBRHVGV-NWDGAFQWSA-N 1 0 239.309 3.643 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677736280 487471212 /nfs/dbraw/zinc/47/12/12/487471212.db2.gz LUQIPUDXBRHVGV-RYUDHWBXSA-N 1 0 239.309 3.643 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677736281 487471284 /nfs/dbraw/zinc/47/12/84/487471284.db2.gz LUQIPUDXBRHVGV-VXGBXAGGSA-N 1 0 239.309 3.643 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000677737873 488115908 /nfs/dbraw/zinc/11/59/08/488115908.db2.gz RNOSZGUGZJBOIX-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO FC1(F)CC2(C[NH+](CCC3CCCCC3)C2)C1 ZINC000677738864 488116536 /nfs/dbraw/zinc/11/65/36/488116536.db2.gz MZDFPESXVILTLU-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000677811461 488128142 /nfs/dbraw/zinc/12/81/42/488128142.db2.gz RUDRLSJPPNEKCT-BLLLJJGKSA-N 1 0 241.334 3.693 20 0 BHADRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000677811462 488128936 /nfs/dbraw/zinc/12/89/36/488128936.db2.gz RUDRLSJPPNEKCT-LRDDRELGSA-N 1 0 241.334 3.693 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000677811463 488128655 /nfs/dbraw/zinc/12/86/55/488128655.db2.gz RUDRLSJPPNEKCT-MLGOLLRUSA-N 1 0 241.334 3.693 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000677811464 488129009 /nfs/dbraw/zinc/12/90/09/488129009.db2.gz RUDRLSJPPNEKCT-WBMJQRKESA-N 1 0 241.334 3.693 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000677848479 488140098 /nfs/dbraw/zinc/14/00/98/488140098.db2.gz IIGZHIKDSKFXFB-LLVKDONJSA-N 1 0 247.338 3.720 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000677848480 488140621 /nfs/dbraw/zinc/14/06/21/488140621.db2.gz IIGZHIKDSKFXFB-NSHDSACASA-N 1 0 247.338 3.720 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccn1 ZINC000678029150 488174755 /nfs/dbraw/zinc/17/47/55/488174755.db2.gz QCGLRWOOCFNLRA-GXTWGEPZSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccn1 ZINC000678029151 488174912 /nfs/dbraw/zinc/17/49/12/488174912.db2.gz QCGLRWOOCFNLRA-JSGCOSHPSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccn1 ZINC000678029152 488174726 /nfs/dbraw/zinc/17/47/26/488174726.db2.gz QCGLRWOOCFNLRA-OCCSQVGLSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccn1 ZINC000678029153 488174579 /nfs/dbraw/zinc/17/45/79/488174579.db2.gz QCGLRWOOCFNLRA-TZMCWYRMSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccoc1C)c1ccccn1 ZINC000678029215 488174887 /nfs/dbraw/zinc/17/48/87/488174887.db2.gz VRAJVMKCWAHCAM-AWEZNQCLSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccoc1C)c1ccccn1 ZINC000678029216 488175034 /nfs/dbraw/zinc/17/50/34/488175034.db2.gz VRAJVMKCWAHCAM-CQSZACIVSA-N 1 0 244.338 3.614 20 0 BHADRO FC(F)C1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000678053124 488188621 /nfs/dbraw/zinc/18/86/21/488188621.db2.gz KJGRKNHCONTJMI-UHFFFAOYSA-N 1 0 247.288 3.537 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CCC1 ZINC000678075905 488191840 /nfs/dbraw/zinc/19/18/40/488191840.db2.gz GTNJTLPJKPXWFO-MAZHCROVSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CCC1 ZINC000678075906 488191813 /nfs/dbraw/zinc/19/18/13/488191813.db2.gz GTNJTLPJKPXWFO-VBNZEHGJSA-N 1 0 229.367 3.568 20 0 BHADRO CC[N@H+](CCC(C)(C)CC)Cc1ccncc1 ZINC000678083469 488194214 /nfs/dbraw/zinc/19/42/14/488194214.db2.gz IIUVUSYMSPHQRW-UHFFFAOYSA-N 1 0 234.387 3.730 20 0 BHADRO c1ccc2c(c1)ccnc2C[NH+]1CCCCCC1 ZINC000678119856 488199976 /nfs/dbraw/zinc/19/99/76/488199976.db2.gz AVQDWEJUWFTCEF-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO Clc1cscc1C[NH+]1CCCCCC1 ZINC000678119899 488199502 /nfs/dbraw/zinc/19/95/02/488199502.db2.gz DEHAECKLBHGQMG-UHFFFAOYSA-N 1 0 229.776 3.778 20 0 BHADRO CCC[NH+](CCC)C[C@@H]1CCOc2ccccc21 ZINC000678120522 488199347 /nfs/dbraw/zinc/19/93/47/488199347.db2.gz KHCRFWKZEWYFII-AWEZNQCLSA-N 1 0 247.382 3.675 20 0 BHADRO CCC[NH+](CCC)C[C@H]1CCOc2ccccc21 ZINC000678120524 488199331 /nfs/dbraw/zinc/19/93/31/488199331.db2.gz KHCRFWKZEWYFII-CQSZACIVSA-N 1 0 247.382 3.675 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000678120826 488198951 /nfs/dbraw/zinc/19/89/51/488198951.db2.gz QADYFLCHJGMCBO-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000678120827 488198978 /nfs/dbraw/zinc/19/89/78/488198978.db2.gz QADYFLCHJGMCBO-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000678120845 488199619 /nfs/dbraw/zinc/19/96/19/488199619.db2.gz RGIZNWLUYZOHFW-LLVKDONJSA-N 1 0 223.385 3.542 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000678120846 488199797 /nfs/dbraw/zinc/19/97/97/488199797.db2.gz RGIZNWLUYZOHFW-NSHDSACASA-N 1 0 223.385 3.542 20 0 BHADRO CCCC[N@H+](CC)Cc1nccc2ccccc21 ZINC000678120912 488200877 /nfs/dbraw/zinc/20/08/77/488200877.db2.gz LKHGNOOFBPVFLN-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCCCC[NH+](CCCCC)Cc1cn[nH]c1 ZINC000678120944 488201015 /nfs/dbraw/zinc/20/10/15/488201015.db2.gz MPJSDYMPDIJWDY-UHFFFAOYSA-N 1 0 237.391 3.592 20 0 BHADRO CCCC[N@H+](C)Cc1ccccc1C1CC1 ZINC000678120964 488200891 /nfs/dbraw/zinc/20/08/91/488200891.db2.gz SYWCNWHVKMVUBG-UHFFFAOYSA-N 1 0 217.356 3.796 20 0 BHADRO CCC[NH+](CCC)Cc1nccc2ccccc21 ZINC000678121083 488200872 /nfs/dbraw/zinc/20/08/72/488200872.db2.gz ZZUHLHWAWFSSHA-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCCC[N@H+](CC)C[C@@H]1CCOc2ccccc21 ZINC000678121101 488200975 /nfs/dbraw/zinc/20/09/75/488200975.db2.gz PKIKEFQAHAKDGJ-AWEZNQCLSA-N 1 0 247.382 3.675 20 0 BHADRO CCCC[N@H+](CC)C[C@H]1CCOc2ccccc21 ZINC000678121102 488200566 /nfs/dbraw/zinc/20/05/66/488200566.db2.gz PKIKEFQAHAKDGJ-CQSZACIVSA-N 1 0 247.382 3.675 20 0 BHADRO CC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678121236 488200714 /nfs/dbraw/zinc/20/07/14/488200714.db2.gz ZDHDPDQJTCXRNM-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO C[N@H+](Cc1ccco1)Cc1ccccc1C1CC1 ZINC000678124187 488200438 /nfs/dbraw/zinc/20/04/38/488200438.db2.gz SSXCCHZLKAVOKA-UHFFFAOYSA-N 1 0 241.334 3.789 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccsc2)c(C)c1 ZINC000678126261 488202080 /nfs/dbraw/zinc/20/20/80/488202080.db2.gz MFFNQAZCHKMDTC-UHFFFAOYSA-N 1 0 245.391 3.997 20 0 BHADRO CCC(CC)C[N@H+](C)Cc1ccsc1 ZINC000678126417 488201628 /nfs/dbraw/zinc/20/16/28/488201628.db2.gz PWULJEYZMHAODO-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO Cc1ccc(C[N@H+](C)Cc2ccsc2)cc1F 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/nfs/dbraw/zinc/23/91/26/488239126.db2.gz PGBGWCZHCLAMPC-CHWSQXEVSA-N 1 0 234.387 3.592 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000678302824 488239235 /nfs/dbraw/zinc/23/92/35/488239235.db2.gz PGBGWCZHCLAMPC-OLZOCXBDSA-N 1 0 234.387 3.592 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000678302826 488238456 /nfs/dbraw/zinc/23/84/56/488238456.db2.gz PGBGWCZHCLAMPC-QWHCGFSZSA-N 1 0 234.387 3.592 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000678302828 488238841 /nfs/dbraw/zinc/23/88/41/488238841.db2.gz PGBGWCZHCLAMPC-STQMWFEESA-N 1 0 234.387 3.592 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cscc2Cl)[C@H]1C ZINC000678333900 488242246 /nfs/dbraw/zinc/24/22/46/488242246.db2.gz NSUZBOQESCRSFL-BDAKNGLRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cscc1Cl ZINC000678333903 488241991 /nfs/dbraw/zinc/24/19/91/488241991.db2.gz NSUZBOQESCRSFL-DTWKUNHWSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[N@H+](Cc2cscc2Cl)[C@H]1C ZINC000678333905 488241833 /nfs/dbraw/zinc/24/18/33/488241833.db2.gz NSUZBOQESCRSFL-IUCAKERBSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2cscc2Cl)[C@@H]1C ZINC000678333907 488242192 /nfs/dbraw/zinc/24/21/92/488242192.db2.gz NSUZBOQESCRSFL-RKDXNWHRSA-N 1 0 229.776 3.632 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cscc1Cl ZINC000678337930 488242123 /nfs/dbraw/zinc/24/21/23/488242123.db2.gz VACJPZCXCYWFBA-IUCAKERBSA-N 1 0 229.776 3.774 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cscc1Cl ZINC000678337931 488242253 /nfs/dbraw/zinc/24/22/53/488242253.db2.gz VACJPZCXCYWFBA-RKDXNWHRSA-N 1 0 229.776 3.774 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000678338264 488241876 /nfs/dbraw/zinc/24/18/76/488241876.db2.gz AEEUKMZLCOXEIE-DJIMGWMZSA-N 1 0 241.378 3.831 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000678338274 488242220 /nfs/dbraw/zinc/24/22/20/488242220.db2.gz AEEUKMZLCOXEIE-HYVNUMGLSA-N 1 0 241.378 3.831 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000678338276 488242799 /nfs/dbraw/zinc/24/27/99/488242799.db2.gz AEEUKMZLCOXEIE-OIISXLGYSA-N 1 0 241.378 3.831 20 0 BHADRO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000678338278 488242560 /nfs/dbraw/zinc/24/25/60/488242560.db2.gz AEEUKMZLCOXEIE-PVAVHDDUSA-N 1 0 241.378 3.831 20 0 BHADRO C[N@H+](CCC1CC1)Cc1ccccc1C1CC1 ZINC000678338525 488242906 /nfs/dbraw/zinc/24/29/06/488242906.db2.gz DRSUVLNAERKDEW-UHFFFAOYSA-N 1 0 229.367 3.796 20 0 BHADRO C[N@H+](CCC1CC1)Cc1cscc1Cl ZINC000678339590 488242910 /nfs/dbraw/zinc/24/29/10/488242910.db2.gz PNEUVIYAIRFZIZ-UHFFFAOYSA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678340007 488242785 /nfs/dbraw/zinc/24/27/85/488242785.db2.gz WIEXBKBGYQDONG-SECBINFHSA-N 1 0 229.776 3.633 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678340008 488242729 /nfs/dbraw/zinc/24/27/29/488242729.db2.gz WIEXBKBGYQDONG-VIFPVBQESA-N 1 0 229.776 3.633 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000678340224 488082951 /nfs/dbraw/zinc/08/29/51/488082951.db2.gz RZIOIGIVONGMGE-CABCVRRESA-N 1 0 243.375 3.736 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@H]1C[C@H]1c1ccccc1 ZINC000678340228 488083032 /nfs/dbraw/zinc/08/30/32/488083032.db2.gz RZIOIGIVONGMGE-GJZGRUSLSA-N 1 0 243.375 3.736 20 0 BHADRO C[N@H+](Cc1ccsc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000678340230 488082688 /nfs/dbraw/zinc/08/26/88/488082688.db2.gz RZIOIGIVONGMGE-LSDHHAIUSA-N 1 0 243.375 3.736 20 0 BHADRO c1ccc(C2CC2)c(C[N@H+]2[C@H]3C=CC[C@@H]2CC3)c1 ZINC000678341713 488242809 /nfs/dbraw/zinc/24/28/09/488242809.db2.gz AUOYXFYSYWJCTO-JKSUJKDBSA-N 1 0 239.362 3.857 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000678342014 488243485 /nfs/dbraw/zinc/24/34/85/488243485.db2.gz NVEYNBJWPRFVDU-MWDXBVQZSA-N 1 0 239.362 3.583 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000678342015 488243472 /nfs/dbraw/zinc/24/34/72/488243472.db2.gz NVEYNBJWPRFVDU-TWMKSMIVSA-N 1 0 239.362 3.583 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000678342017 488242881 /nfs/dbraw/zinc/24/28/81/488242881.db2.gz NVEYNBJWPRFVDU-YYIAUSFCSA-N 1 0 239.362 3.583 20 0 BHADRO c1oc2ccccc2c1C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000678342275 488243220 /nfs/dbraw/zinc/24/32/20/488243220.db2.gz YJUGFWMXMSJVBR-UONOGXRCSA-N 1 0 239.318 3.726 20 0 BHADRO c1ccc(C2CC2)c(C[NH+]2CCCCC2)c1 ZINC000678342744 488243526 /nfs/dbraw/zinc/24/35/26/488243526.db2.gz GBLXVBBRBCYYKC-UHFFFAOYSA-N 1 0 215.340 3.550 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@H](C)CC(C)C ZINC000678348794 488244950 /nfs/dbraw/zinc/24/49/50/488244950.db2.gz BEQULGVHVCAJPA-GFCCVEGCSA-N 1 0 209.333 3.536 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@@H](C)CC(C)C ZINC000678348795 488245106 /nfs/dbraw/zinc/24/51/06/488245106.db2.gz BEQULGVHVCAJPA-LBPRGKRZSA-N 1 0 209.333 3.536 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000678349032 488245085 /nfs/dbraw/zinc/24/50/85/488245085.db2.gz GOLVHHWYHHRJAB-GFCCVEGCSA-N 1 0 237.412 3.931 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000678349033 488245041 /nfs/dbraw/zinc/24/50/41/488245041.db2.gz GOLVHHWYHHRJAB-LBPRGKRZSA-N 1 0 237.412 3.931 20 0 BHADRO CC(C)N(CC(F)F)[C@H](C)c1ccccc1 ZINC000678349628 488245057 /nfs/dbraw/zinc/24/50/57/488245057.db2.gz XYXIRWYBMNZOQV-LLVKDONJSA-N 1 0 227.298 3.723 20 0 BHADRO CC(C)N(CC(F)F)[C@@H](C)c1ccccc1 ZINC000678349629 488244886 /nfs/dbraw/zinc/24/48/86/488244886.db2.gz XYXIRWYBMNZOQV-NSHDSACASA-N 1 0 227.298 3.723 20 0 BHADRO CCCC[C@H](CC)CC[NH2+]Cc1ccccn1 ZINC000678359070 488246688 /nfs/dbraw/zinc/24/66/88/488246688.db2.gz VZQBQHCVUKRGTA-AWEZNQCLSA-N 1 0 234.387 3.778 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+]Cc1ccccn1 ZINC000678359071 488246647 /nfs/dbraw/zinc/24/66/47/488246647.db2.gz VZQBQHCVUKRGTA-CQSZACIVSA-N 1 0 234.387 3.778 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CCCC2)c(C)n1 ZINC000678411281 488252391 /nfs/dbraw/zinc/25/23/91/488252391.db2.gz KHQQFESRCUHYSC-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CCCC2)c(C)n1 ZINC000678411284 488252411 /nfs/dbraw/zinc/25/24/11/488252411.db2.gz KHQQFESRCUHYSC-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c(C)n1 ZINC000678411853 488252210 /nfs/dbraw/zinc/25/22/10/488252210.db2.gz LOGRHKOMPUGMDY-DIOULYMOSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C)n1 ZINC000678411854 488252412 /nfs/dbraw/zinc/25/24/12/488252412.db2.gz LOGRHKOMPUGMDY-HZUKXOBISA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C)n1 ZINC000678411855 488252304 /nfs/dbraw/zinc/25/23/04/488252304.db2.gz LOGRHKOMPUGMDY-PJODQICGSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c(C)n1 ZINC000678411856 488152353 /nfs/dbraw/zinc/15/23/53/488152353.db2.gz LOGRHKOMPUGMDY-WPGHFRTFSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000678412139 488252882 /nfs/dbraw/zinc/25/28/82/488252882.db2.gz RFTUOUWJBLNXGV-CYBMUJFWSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000678412140 488252697 /nfs/dbraw/zinc/25/26/97/488252697.db2.gz RFTUOUWJBLNXGV-ZDUSSCGKSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2)c(C)n1 ZINC000678412396 488252785 /nfs/dbraw/zinc/25/27/85/488252785.db2.gz VVYAINMJTGLNLU-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2)c(C)n1 ZINC000678412397 488252976 /nfs/dbraw/zinc/25/29/76/488252976.db2.gz VVYAINMJTGLNLU-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)C)c(C)n1 ZINC000678412400 488252869 /nfs/dbraw/zinc/25/28/69/488252869.db2.gz VWPJJIIRJOFIID-CYBMUJFWSA-N 1 0 234.387 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC(C)C)c(C)n1 ZINC000678412401 488252808 /nfs/dbraw/zinc/25/28/08/488252808.db2.gz VWPJJIIRJOFIID-ZDUSSCGKSA-N 1 0 234.387 3.785 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCCCC2)c(C)n1 ZINC000678412456 488252794 /nfs/dbraw/zinc/25/27/94/488252794.db2.gz UZPYIOUTLCCYHU-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCCCC2)c(C)n1 ZINC000678412457 488252770 /nfs/dbraw/zinc/25/27/70/488252770.db2.gz UZPYIOUTLCCYHU-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCCCC2)c(C)n1 ZINC000678412507 488152392 /nfs/dbraw/zinc/15/23/92/488152392.db2.gz WUKHPMHFAUULAB-CYBMUJFWSA-N 1 0 232.371 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCCCC2)c(C)n1 ZINC000678412508 488152415 /nfs/dbraw/zinc/15/24/15/488152415.db2.gz WUKHPMHFAUULAB-ZDUSSCGKSA-N 1 0 232.371 3.682 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccs2)c(C)n1 ZINC000678412692 488252832 /nfs/dbraw/zinc/25/28/32/488252832.db2.gz ZNMDQZQIVMPJOV-LLVKDONJSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]Cc2cccs2)c(C)n1 ZINC000678412693 488252686 /nfs/dbraw/zinc/25/26/86/488252686.db2.gz ZNMDQZQIVMPJOV-NSHDSACASA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CCCC2)c(C)n1 ZINC000678413149 488252720 /nfs/dbraw/zinc/25/27/20/488252720.db2.gz FHNIXBNMBYNIOA-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CCCC2)c(C)n1 ZINC000678413150 488252668 /nfs/dbraw/zinc/25/26/68/488252668.db2.gz FHNIXBNMBYNIOA-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C)c(C)n1 ZINC000678413385 488252948 /nfs/dbraw/zinc/25/29/48/488252948.db2.gz ILTHTZSOJGLDKI-GFCCVEGCSA-N 1 0 234.387 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C)c(C)n1 ZINC000678413386 488252898 /nfs/dbraw/zinc/25/28/98/488252898.db2.gz ILTHTZSOJGLDKI-LBPRGKRZSA-N 1 0 234.387 3.785 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678414009 488252957 /nfs/dbraw/zinc/25/29/57/488252957.db2.gz QJJBYUBMVJKYTN-JKOKRWQUSA-N 1 0 234.387 3.784 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678414010 488252858 /nfs/dbraw/zinc/25/28/58/488252858.db2.gz QJJBYUBMVJKYTN-SUHUHFCYSA-N 1 0 234.387 3.784 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678414011 488252950 /nfs/dbraw/zinc/25/29/50/488252950.db2.gz QJJBYUBMVJKYTN-VHRBIJSZSA-N 1 0 234.387 3.784 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678414012 488252917 /nfs/dbraw/zinc/25/29/17/488252917.db2.gz QJJBYUBMVJKYTN-ZKYQVNSYSA-N 1 0 234.387 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000678414358 488252827 /nfs/dbraw/zinc/25/28/27/488252827.db2.gz SXSCZZPLKOMPKO-BYCMXARLSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c(C)n1 ZINC000678414360 488252855 /nfs/dbraw/zinc/25/28/55/488252855.db2.gz SXSCZZPLKOMPKO-CQDKDKBSSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c(C)n1 ZINC000678414361 488252814 /nfs/dbraw/zinc/25/28/14/488252814.db2.gz SXSCZZPLKOMPKO-TUKIKUTGSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000678414362 488252867 /nfs/dbraw/zinc/25/28/67/488252867.db2.gz SXSCZZPLKOMPKO-UGFHNGPFSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)n1 ZINC000678415586 488253281 /nfs/dbraw/zinc/25/32/81/488253281.db2.gz IBEDQHCYNKFADE-DZGCQCFKSA-N 1 0 244.382 3.705 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)n1 ZINC000678415587 488253332 /nfs/dbraw/zinc/25/33/32/488253332.db2.gz IBEDQHCYNKFADE-HIFRSBDPSA-N 1 0 244.382 3.705 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)n1 ZINC000678415589 488253369 /nfs/dbraw/zinc/25/33/69/488253369.db2.gz IBEDQHCYNKFADE-UKRRQHHQSA-N 1 0 244.382 3.705 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)n1 ZINC000678415591 488253407 /nfs/dbraw/zinc/25/34/07/488253407.db2.gz IBEDQHCYNKFADE-ZFWWWQNUSA-N 1 0 244.382 3.705 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)c(C)n1 ZINC000678418309 488253821 /nfs/dbraw/zinc/25/38/21/488253821.db2.gz XLMWDGBARXZTQO-GFCCVEGCSA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)c(C)n1 ZINC000678418314 488253658 /nfs/dbraw/zinc/25/36/58/488253658.db2.gz XLMWDGBARXZTQO-LBPRGKRZSA-N 1 0 244.382 3.538 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678421841 488254166 /nfs/dbraw/zinc/25/41/66/488254166.db2.gz KEHKXIZRALIBTI-GFCCVEGCSA-N 1 0 234.387 3.785 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678421842 488254246 /nfs/dbraw/zinc/25/42/46/488254246.db2.gz KEHKXIZRALIBTI-LBPRGKRZSA-N 1 0 234.387 3.785 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000678425932 488254556 /nfs/dbraw/zinc/25/45/56/488254556.db2.gz FMDANGCAGKALFO-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000678425933 488254702 /nfs/dbraw/zinc/25/47/02/488254702.db2.gz FMDANGCAGKALFO-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000678425934 488254836 /nfs/dbraw/zinc/25/48/36/488254836.db2.gz FMDANGCAGKALFO-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000678425935 488254799 /nfs/dbraw/zinc/25/47/99/488254799.db2.gz FMDANGCAGKALFO-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000678426000 488254730 /nfs/dbraw/zinc/25/47/30/488254730.db2.gz FXZWCSZDHCYHII-CHWSQXEVSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000678426001 488254641 /nfs/dbraw/zinc/25/46/41/488254641.db2.gz FXZWCSZDHCYHII-OLZOCXBDSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000678426003 488254565 /nfs/dbraw/zinc/25/45/65/488254565.db2.gz FXZWCSZDHCYHII-QWHCGFSZSA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000678426004 488254619 /nfs/dbraw/zinc/25/46/19/488254619.db2.gz FXZWCSZDHCYHII-STQMWFEESA-N 1 0 232.371 3.619 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c(C)n1 ZINC000678426049 487476711 /nfs/dbraw/zinc/47/67/11/487476711.db2.gz AILUBZKGEXKHGS-DZGCQCFKSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c(C)n1 ZINC000678426055 487476684 /nfs/dbraw/zinc/47/66/84/487476684.db2.gz AILUBZKGEXKHGS-HIFRSBDPSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c(C)n1 ZINC000678426057 487476689 /nfs/dbraw/zinc/47/66/89/487476689.db2.gz AILUBZKGEXKHGS-UKRRQHHQSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)c(C)n1 ZINC000678426059 487476663 /nfs/dbraw/zinc/47/66/63/487476663.db2.gz AILUBZKGEXKHGS-ZFWWWQNUSA-N 1 0 246.398 3.928 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678426190 488254808 /nfs/dbraw/zinc/25/48/08/488254808.db2.gz BKGXXNBXDRYHMG-FMKPAKJESA-N 1 0 246.398 3.928 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678426192 488254777 /nfs/dbraw/zinc/25/47/77/488254777.db2.gz BKGXXNBXDRYHMG-IIAWOOMASA-N 1 0 246.398 3.928 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678426193 488254734 /nfs/dbraw/zinc/25/47/34/488254734.db2.gz BKGXXNBXDRYHMG-LZWOXQAQSA-N 1 0 246.398 3.928 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678426195 488254732 /nfs/dbraw/zinc/25/47/32/488254732.db2.gz BKGXXNBXDRYHMG-SQWLQELKSA-N 1 0 246.398 3.928 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)nc2C)CCC1 ZINC000678427547 488255106 /nfs/dbraw/zinc/25/51/06/488255106.db2.gz MFMNVIDTNNRXTN-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)nc2C)CCC1 ZINC000678427548 488254749 /nfs/dbraw/zinc/25/47/49/488254749.db2.gz MFMNVIDTNNRXTN-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)c(C)n1 ZINC000678429211 488256009 /nfs/dbraw/zinc/25/60/09/488256009.db2.gz UDYKFPRVRISNGC-AAEUAGOBSA-N 1 0 234.387 3.641 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)n1 ZINC000678429212 488255739 /nfs/dbraw/zinc/25/57/39/488255739.db2.gz UDYKFPRVRISNGC-DGCLKSJQSA-N 1 0 234.387 3.641 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c(C)n1 ZINC000678429213 488255899 /nfs/dbraw/zinc/25/58/99/488255899.db2.gz UDYKFPRVRISNGC-WCQYABFASA-N 1 0 234.387 3.641 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c(C)n1 ZINC000678429214 488255959 /nfs/dbraw/zinc/25/59/59/488255959.db2.gz UDYKFPRVRISNGC-YPMHNXCESA-N 1 0 234.387 3.641 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000678464698 488257494 /nfs/dbraw/zinc/25/74/94/488257494.db2.gz QZNVYPCVCFRHSX-GRYCIOLGSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000678464699 488257640 /nfs/dbraw/zinc/25/76/40/488257640.db2.gz QZNVYPCVCFRHSX-IJLUTSLNSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000678464700 488257530 /nfs/dbraw/zinc/25/75/30/488257530.db2.gz QZNVYPCVCFRHSX-UTUOFQBUSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000678464701 488257571 /nfs/dbraw/zinc/25/75/71/488257571.db2.gz QZNVYPCVCFRHSX-WOPDTQHZSA-N 1 0 249.320 3.697 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000678469433 488258467 /nfs/dbraw/zinc/25/84/67/488258467.db2.gz XGELRVRDKOGEEF-KBPBESRZSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000678469434 488258246 /nfs/dbraw/zinc/25/82/46/488258246.db2.gz XGELRVRDKOGEEF-KGLIPLIRSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000678469435 488258485 /nfs/dbraw/zinc/25/84/85/488258485.db2.gz XGELRVRDKOGEEF-UONOGXRCSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000678469436 488258329 /nfs/dbraw/zinc/25/83/29/488258329.db2.gz XGELRVRDKOGEEF-ZIAGYGMSSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@H](C)C[NH2+]CC(C)(C)c1ccccc1OC ZINC000678499763 488263126 /nfs/dbraw/zinc/26/31/26/488263126.db2.gz PVVVOHKVUBLSSC-CYBMUJFWSA-N 1 0 249.398 3.609 20 0 BHADRO CC[C@H](C)C[NH2+]CC(C)(C)c1ccccc1OC ZINC000678499764 488263228 /nfs/dbraw/zinc/26/32/28/488263228.db2.gz PVVVOHKVUBLSSC-ZDUSSCGKSA-N 1 0 249.398 3.609 20 0 BHADRO Cc1cccnc1C[N@H+](C1CC1)C1CCCCC1 ZINC000678514903 488263810 /nfs/dbraw/zinc/26/38/10/488263810.db2.gz VLZLOVQEWMAEHD-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO Fc1ccc(C2([NH2+]C3CCCC3)CCC2)cc1 ZINC000678522582 488264329 /nfs/dbraw/zinc/26/43/29/488264329.db2.gz BBDGTGUQUZRQHS-UHFFFAOYSA-N 1 0 233.330 3.737 20 0 BHADRO CCC(C)(C)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000678527219 488264177 /nfs/dbraw/zinc/26/41/77/488264177.db2.gz GCLKGQMKBSYIHP-UHFFFAOYSA-N 1 0 246.398 3.872 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000678535321 488264752 /nfs/dbraw/zinc/26/47/52/488264752.db2.gz PJPDRRMZIARUCK-DZGCQCFKSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000678535323 488264779 /nfs/dbraw/zinc/26/47/79/488264779.db2.gz PJPDRRMZIARUCK-HIFRSBDPSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000678535324 488264810 /nfs/dbraw/zinc/26/48/10/488264810.db2.gz PJPDRRMZIARUCK-UKRRQHHQSA-N 1 0 246.398 3.516 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000678535326 488265076 /nfs/dbraw/zinc/26/50/76/488265076.db2.gz PJPDRRMZIARUCK-ZFWWWQNUSA-N 1 0 246.398 3.516 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000678545187 488265333 /nfs/dbraw/zinc/26/53/33/488265333.db2.gz JSMNHMDILSVURP-CHWSQXEVSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000678545188 488265564 /nfs/dbraw/zinc/26/55/64/488265564.db2.gz JSMNHMDILSVURP-OLZOCXBDSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000678545189 488265663 /nfs/dbraw/zinc/26/56/63/488265663.db2.gz JSMNHMDILSVURP-QWHCGFSZSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000678545190 488265695 /nfs/dbraw/zinc/26/56/95/488265695.db2.gz JSMNHMDILSVURP-STQMWFEESA-N 1 0 234.387 3.723 20 0 BHADRO CCCC(CCC)[NH2+]C1CCC(O)(CC)CC1 ZINC000678547168 488266043 /nfs/dbraw/zinc/26/60/43/488266043.db2.gz BSGPZSOJFQWTQT-UHFFFAOYSA-N 1 0 241.419 3.629 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CCC(O)(CC)CC1 ZINC000678550026 488266685 /nfs/dbraw/zinc/26/66/85/488266685.db2.gz ZKUNDOSFIMZORG-NFOMZHRRSA-N 1 0 241.419 3.629 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CCC(O)(CC)CC1 ZINC000678550027 488266611 /nfs/dbraw/zinc/26/66/11/488266611.db2.gz ZKUNDOSFIMZORG-WLYUNCDWSA-N 1 0 241.419 3.629 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H](C)CC1CCC1 ZINC000678581315 488268487 /nfs/dbraw/zinc/26/84/87/488268487.db2.gz PYYBNARRDQLYEA-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H](C)CC1CCC1 ZINC000678581316 488268466 /nfs/dbraw/zinc/26/84/66/488268466.db2.gz PYYBNARRDQLYEA-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678581519 488268510 /nfs/dbraw/zinc/26/85/10/488268510.db2.gz YASWEQQFOLAZSL-KBPBESRZSA-N 1 0 234.387 3.928 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678581521 488268482 /nfs/dbraw/zinc/26/84/82/488268482.db2.gz YASWEQQFOLAZSL-KGLIPLIRSA-N 1 0 234.387 3.928 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678581522 488268376 /nfs/dbraw/zinc/26/83/76/488268376.db2.gz YASWEQQFOLAZSL-UONOGXRCSA-N 1 0 234.387 3.928 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678581523 488268711 /nfs/dbraw/zinc/26/87/11/488268711.db2.gz YASWEQQFOLAZSL-ZIAGYGMSSA-N 1 0 234.387 3.928 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000678582321 488268590 /nfs/dbraw/zinc/26/85/90/488268590.db2.gz OJCAAZOXSYCOFT-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000678582322 488268400 /nfs/dbraw/zinc/26/84/00/488268400.db2.gz OJCAAZOXSYCOFT-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000678582323 488268493 /nfs/dbraw/zinc/26/84/93/488268493.db2.gz OJCAAZOXSYCOFT-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC000678582324 488268409 /nfs/dbraw/zinc/26/84/09/488268409.db2.gz OJCAAZOXSYCOFT-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(C)n1 ZINC000678582412 488268681 /nfs/dbraw/zinc/26/86/81/488268681.db2.gz IAUHRTJZSDRJRE-DGFSRKRXSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(C)n1 ZINC000678582413 488268670 /nfs/dbraw/zinc/26/86/70/488268670.db2.gz IAUHRTJZSDRJRE-RIEGTJTDSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(C)n1 ZINC000678582414 488268430 /nfs/dbraw/zinc/26/84/30/488268430.db2.gz IAUHRTJZSDRJRE-VZJVUDMVSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(C)n1 ZINC000678582415 488268448 /nfs/dbraw/zinc/26/84/48/488268448.db2.gz IAUHRTJZSDRJRE-XEGUGMAKSA-N 1 0 232.371 3.538 20 0 BHADRO COc1cc(C[NH2+][C@H](C)CC2CCC2)ccc1C ZINC000678583214 488268475 /nfs/dbraw/zinc/26/84/75/488268475.db2.gz XTHZCDLZXGYFIT-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1cc(C[NH2+][C@@H](C)CC2CCC2)ccc1C ZINC000678583215 487565350 /nfs/dbraw/zinc/56/53/50/487565350.db2.gz XTHZCDLZXGYFIT-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCCC2)c(C)n1 ZINC000678583749 488268648 /nfs/dbraw/zinc/26/86/48/488268648.db2.gz BIWGSXPGVIWCMT-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCCC2)c(C)n1 ZINC000678583750 488268660 /nfs/dbraw/zinc/26/86/60/488268660.db2.gz BIWGSXPGVIWCMT-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000678584121 488268485 /nfs/dbraw/zinc/26/84/85/488268485.db2.gz JZYZMVJDOIHZHN-BDJLRTHQSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000678584122 488268631 /nfs/dbraw/zinc/26/86/31/488268631.db2.gz JZYZMVJDOIHZHN-BZNIZROVSA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000678584123 488268458 /nfs/dbraw/zinc/26/84/58/488268458.db2.gz JZYZMVJDOIHZHN-MEDUHNTESA-N 1 0 247.357 3.981 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000678584224 488268380 /nfs/dbraw/zinc/26/83/80/488268380.db2.gz JZYZMVJDOIHZHN-ZBEGNZNMSA-N 1 0 247.357 3.981 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c(C)n1 ZINC000678584376 488268532 /nfs/dbraw/zinc/26/85/32/488268532.db2.gz ULWDLLBYCGLUIU-CQDKDKBSSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c(C)n1 ZINC000678584377 488268545 /nfs/dbraw/zinc/26/85/45/488268545.db2.gz ULWDLLBYCGLUIU-KCPJHIHWSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccoc1)CC2 ZINC000678584432 488268478 /nfs/dbraw/zinc/26/84/78/488268478.db2.gz OTQCGFSNHVMFHN-BLLLJJGKSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccoc1)CC2 ZINC000678584433 488268697 /nfs/dbraw/zinc/26/86/97/488268697.db2.gz OTQCGFSNHVMFHN-LRDDRELGSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccoc1)CC2 ZINC000678584434 488268728 /nfs/dbraw/zinc/26/87/28/488268728.db2.gz OTQCGFSNHVMFHN-MLGOLLRUSA-N 1 0 241.334 3.926 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccoc1)CC2 ZINC000678584435 488268552 /nfs/dbraw/zinc/26/85/52/488268552.db2.gz OTQCGFSNHVMFHN-WBMJQRKESA-N 1 0 241.334 3.926 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000678584812 488269131 /nfs/dbraw/zinc/26/91/31/488269131.db2.gz FOBCTRKGPCXBOU-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000678584813 488269139 /nfs/dbraw/zinc/26/91/39/488269139.db2.gz FOBCTRKGPCXBOU-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000678584814 488269050 /nfs/dbraw/zinc/26/90/50/488269050.db2.gz FOBCTRKGPCXBOU-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000678585085 488268928 /nfs/dbraw/zinc/26/89/28/488268928.db2.gz MBFUTKLJOPFQLW-PMPSAXMXSA-N 1 0 229.367 3.568 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000678585086 488269001 /nfs/dbraw/zinc/26/90/01/488269001.db2.gz MBFUTKLJOPFQLW-XHSDSOJGSA-N 1 0 229.367 3.568 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000678585154 488268958 /nfs/dbraw/zinc/26/89/58/488268958.db2.gz PCVPYOQBMWXPSA-BBWFWOEESA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000678585155 488268881 /nfs/dbraw/zinc/26/88/81/488268881.db2.gz PCVPYOQBMWXPSA-IKGGRYGDSA-N 1 0 243.394 3.814 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000678585156 488268851 /nfs/dbraw/zinc/26/88/51/488268851.db2.gz PCVPYOQBMWXPSA-ZACQAIPSSA-N 1 0 243.394 3.814 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CCC1 ZINC000678589823 488268961 /nfs/dbraw/zinc/26/89/61/488268961.db2.gz XCTOLNWLRXYTMW-KBPBESRZSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CCC1 ZINC000678589825 488268891 /nfs/dbraw/zinc/26/88/91/488268891.db2.gz XCTOLNWLRXYTMW-KGLIPLIRSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CCC1 ZINC000678589827 488268993 /nfs/dbraw/zinc/26/89/93/488268993.db2.gz XCTOLNWLRXYTMW-UONOGXRCSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CCC1 ZINC000678589828 488269010 /nfs/dbraw/zinc/26/90/10/488269010.db2.gz XCTOLNWLRXYTMW-ZIAGYGMSSA-N 1 0 243.394 3.570 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCCC1CC1 ZINC000678590933 488269627 /nfs/dbraw/zinc/26/96/27/488269627.db2.gz AZPATCOXFBYWTR-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCCC1CC1 ZINC000678590934 488269375 /nfs/dbraw/zinc/26/93/75/488269375.db2.gz AZPATCOXFBYWTR-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCC1CC1 ZINC000678591232 488267949 /nfs/dbraw/zinc/26/79/49/488267949.db2.gz KFNCVOCMKMCUGC-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCC1CC1 ZINC000678591234 488267969 /nfs/dbraw/zinc/26/79/69/488267969.db2.gz KFNCVOCMKMCUGC-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000678591253 488269494 /nfs/dbraw/zinc/26/94/94/488269494.db2.gz KWASDHLIYYOHFX-ABAIWWIYSA-N 1 0 249.304 3.650 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000678591257 487578997 /nfs/dbraw/zinc/57/89/97/487578997.db2.gz KWASDHLIYYOHFX-IAQYHMDHSA-N 1 0 249.304 3.650 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000678591259 487579159 /nfs/dbraw/zinc/57/91/59/487579159.db2.gz KWASDHLIYYOHFX-NHYWBVRUSA-N 1 0 249.304 3.650 20 0 BHADRO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000678591260 487578944 /nfs/dbraw/zinc/57/89/44/487578944.db2.gz KWASDHLIYYOHFX-XHDPSFHLSA-N 1 0 249.304 3.650 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCC2CC2)c(C)n1 ZINC000678591343 488269414 /nfs/dbraw/zinc/26/94/14/488269414.db2.gz MZHNGMUJORNWEX-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCC2CC2)c(C)n1 ZINC000678591344 488269341 /nfs/dbraw/zinc/26/93/41/488269341.db2.gz MZHNGMUJORNWEX-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000678591400 488269559 /nfs/dbraw/zinc/26/95/59/488269559.db2.gz PSDJHQVUVVLNKV-CXAGYDPISA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000678591401 487579037 /nfs/dbraw/zinc/57/90/37/487579037.db2.gz PSDJHQVUVVLNKV-DYVFJYSZSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000678591403 487579109 /nfs/dbraw/zinc/57/91/09/487579109.db2.gz PSDJHQVUVVLNKV-GUYCJALGSA-N 1 0 243.394 3.570 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000678591405 487579119 /nfs/dbraw/zinc/57/91/19/487579119.db2.gz PSDJHQVUVVLNKV-SUMWQHHRSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1Cc2ccccc2C1 ZINC000678591492 488269404 /nfs/dbraw/zinc/26/94/04/488269404.db2.gz QOLUOLYDVDEITI-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1Cc2ccccc2C1 ZINC000678591493 488269550 /nfs/dbraw/zinc/26/95/50/488269550.db2.gz QOLUOLYDVDEITI-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]CCCC1CC1 ZINC000678591595 488269570 /nfs/dbraw/zinc/26/95/70/488269570.db2.gz SOSMWCKSBQLOMM-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]CCCC1CC1 ZINC000678591597 488269619 /nfs/dbraw/zinc/26/96/19/488269619.db2.gz SOSMWCKSBQLOMM-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000678591617 488269346 /nfs/dbraw/zinc/26/93/46/488269346.db2.gz UCFOMLXONCHODH-BBRMVZONSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000678591620 488269371 /nfs/dbraw/zinc/26/93/71/488269371.db2.gz UCFOMLXONCHODH-CJNGLKHVSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000678591623 488269334 /nfs/dbraw/zinc/26/93/34/488269334.db2.gz UCFOMLXONCHODH-CZUORRHYSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000678591626 488269595 /nfs/dbraw/zinc/26/95/95/488269595.db2.gz UCFOMLXONCHODH-XJKSGUPXSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc(CC[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000678592071 488269517 /nfs/dbraw/zinc/26/95/17/488269517.db2.gz UVYHAJPZABZXFX-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc(CC[NH2+][C@H](C)CC2CCC2)cc1 ZINC000678592073 488269377 /nfs/dbraw/zinc/26/93/77/488269377.db2.gz UVYHAJPZABZXFX-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO c1ccc([C@H](CC2CC2)[NH2+]CCC2CC2)cc1 ZINC000678592183 488269459 /nfs/dbraw/zinc/26/94/59/488269459.db2.gz AIUNZODSWUYSIV-INIZCTEOSA-N 1 0 229.367 3.918 20 0 BHADRO c1ccc([C@@H](CC2CC2)[NH2+]CCC2CC2)cc1 ZINC000678592184 488269482 /nfs/dbraw/zinc/26/94/82/488269482.db2.gz AIUNZODSWUYSIV-MRXNPFEDSA-N 1 0 229.367 3.918 20 0 BHADRO Cc1ccc(C[C@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000678592480 488269610 /nfs/dbraw/zinc/26/96/10/488269610.db2.gz DSPSDIBCWSUGRO-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1ccc(C[C@@H]([NH2+]CCC2CC2)C2CC2)cc1 ZINC000678592481 488269574 /nfs/dbraw/zinc/26/95/74/488269574.db2.gz DSPSDIBCWSUGRO-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC1CC1 ZINC000678593048 488269545 /nfs/dbraw/zinc/26/95/45/488269545.db2.gz MHTIPVBDLSQYIR-DOMZBBRYSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC1CC1 ZINC000678593049 488269373 /nfs/dbraw/zinc/26/93/73/488269373.db2.gz MHTIPVBDLSQYIR-IUODEOHRSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCC1CC1 ZINC000678593050 488269387 /nfs/dbraw/zinc/26/93/87/488269387.db2.gz MHTIPVBDLSQYIR-SWLSCSKDSA-N 1 0 229.367 3.933 20 0 BHADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCC1CC1 ZINC000678593051 488269457 /nfs/dbraw/zinc/26/94/57/488269457.db2.gz MHTIPVBDLSQYIR-WFASDCNBSA-N 1 0 229.367 3.933 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000678593541 488269389 /nfs/dbraw/zinc/26/93/89/488269389.db2.gz IIQJSILERVRZNO-HNNXBMFYSA-N 1 0 229.367 3.799 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCC2CC2)c2ccccc21 ZINC000678593542 488269320 /nfs/dbraw/zinc/26/93/20/488269320.db2.gz IIQJSILERVRZNO-OAHLLOKOSA-N 1 0 229.367 3.799 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]CCC2CC2)C2CC2)c1 ZINC000678593624 488269614 /nfs/dbraw/zinc/26/96/14/488269614.db2.gz YNTAAKJETSHDKO-KRWDZBQOSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]CCC2CC2)C2CC2)c1 ZINC000678593625 487582205 /nfs/dbraw/zinc/58/22/05/487582205.db2.gz YNTAAKJETSHDKO-QGZVFWFLSA-N 1 0 243.394 3.706 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCC2CC2)cc(C)c1F ZINC000678593745 487581588 /nfs/dbraw/zinc/58/15/88/487581588.db2.gz NDGXGZCANREZCC-GFCCVEGCSA-N 1 0 235.346 3.893 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCC2CC2)cc(C)c1F ZINC000678593746 487581524 /nfs/dbraw/zinc/58/15/24/487581524.db2.gz NDGXGZCANREZCC-LBPRGKRZSA-N 1 0 235.346 3.893 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(C)CCC1 ZINC000678594463 488269591 /nfs/dbraw/zinc/26/95/91/488269591.db2.gz DEKXFOIHFBUWMJ-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CC1(C)CCC1 ZINC000678594464 488269395 /nfs/dbraw/zinc/26/93/95/488269395.db2.gz DEKXFOIHFBUWMJ-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(C)c1)C1CC1 ZINC000678594750 487583671 /nfs/dbraw/zinc/58/36/71/487583671.db2.gz HHPFBKUMKDURAK-ABAIWWIYSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(C)c1)C1CC1 ZINC000678594753 487583520 /nfs/dbraw/zinc/58/35/20/487583520.db2.gz HHPFBKUMKDURAK-IAQYHMDHSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(C)c1)C1CC1 ZINC000678594754 487583643 /nfs/dbraw/zinc/58/36/43/487583643.db2.gz HHPFBKUMKDURAK-NHYWBVRUSA-N 1 0 235.346 3.973 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(C)c1)C1CC1 ZINC000678594756 487583554 /nfs/dbraw/zinc/58/35/54/487583554.db2.gz HHPFBKUMKDURAK-XHDPSFHLSA-N 1 0 235.346 3.973 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000678594904 488270036 /nfs/dbraw/zinc/27/00/36/488270036.db2.gz QARYIDJHSKXUNE-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000678594905 488270111 /nfs/dbraw/zinc/27/01/11/488270111.db2.gz QARYIDJHSKXUNE-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)c(C)n1 ZINC000678595060 488269934 /nfs/dbraw/zinc/26/99/34/488269934.db2.gz KGEAVKCMDIMLNF-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCC2)c(C)n1 ZINC000678595061 488269902 /nfs/dbraw/zinc/26/99/02/488269902.db2.gz KGEAVKCMDIMLNF-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2CCC2)ccc1F ZINC000678595116 488270114 /nfs/dbraw/zinc/27/01/14/488270114.db2.gz MTCNKAVOMPWFLZ-NEPJUHHUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCC2)ccc1F ZINC000678595117 488269995 /nfs/dbraw/zinc/26/99/95/488269995.db2.gz MTCNKAVOMPWFLZ-NWDGAFQWSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCC2)ccc1F ZINC000678595118 488269982 /nfs/dbraw/zinc/26/99/82/488269982.db2.gz MTCNKAVOMPWFLZ-RYUDHWBXSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCC2)ccc1F ZINC000678595119 488269882 /nfs/dbraw/zinc/26/98/82/488269882.db2.gz MTCNKAVOMPWFLZ-VXGBXAGGSA-N 1 0 235.346 3.973 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678595926 487585812 /nfs/dbraw/zinc/58/58/12/487585812.db2.gz YZCVFDCGWYOSGX-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678595927 487585744 /nfs/dbraw/zinc/58/57/44/487585744.db2.gz YZCVFDCGWYOSGX-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)c(C)n1 ZINC000678596445 488270060 /nfs/dbraw/zinc/27/00/60/488270060.db2.gz RPFFBFFJRKYAML-CYBMUJFWSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c(C)n1 ZINC000678596446 488269940 /nfs/dbraw/zinc/26/99/40/488269940.db2.gz RPFFBFFJRKYAML-ZDUSSCGKSA-N 1 0 246.398 3.785 20 0 BHADRO c1ccc(C[C@H]([NH2+]CCC2CCC2)C2CC2)cc1 ZINC000678596458 488269871 /nfs/dbraw/zinc/26/98/71/488269871.db2.gz UTJJHLRWTHJPKG-KRWDZBQOSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(C[C@@H]([NH2+]CCC2CCC2)C2CC2)cc1 ZINC000678596459 488269863 /nfs/dbraw/zinc/26/98/63/488269863.db2.gz UTJJHLRWTHJPKG-QGZVFWFLSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)C1CC1 ZINC000678596757 488269848 /nfs/dbraw/zinc/26/98/48/488269848.db2.gz NOQMPMZTTQHGND-ISWURRPUSA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000678596758 488269884 /nfs/dbraw/zinc/26/98/84/488269884.db2.gz NOQMPMZTTQHGND-NKKGCODLSA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C1CC1 ZINC000678596759 488269886 /nfs/dbraw/zinc/26/98/86/488269886.db2.gz NOQMPMZTTQHGND-OSMBCOQSSA-N 1 0 243.394 3.957 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C)C1CC1 ZINC000678596760 488269998 /nfs/dbraw/zinc/26/99/98/488269998.db2.gz NOQMPMZTTQHGND-VDNDLQMASA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C(C)(C)C ZINC000678597044 488270125 /nfs/dbraw/zinc/27/01/25/488270125.db2.gz BDKOOEJPBCPDMT-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C(C)(C)C ZINC000678597045 488269936 /nfs/dbraw/zinc/26/99/36/488269936.db2.gz BDKOOEJPBCPDMT-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C(C)(C)C ZINC000678597046 488269972 /nfs/dbraw/zinc/26/99/72/488269972.db2.gz BDKOOEJPBCPDMT-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C(C)(C)C ZINC000678597047 488269900 /nfs/dbraw/zinc/26/99/00/488269900.db2.gz BDKOOEJPBCPDMT-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C(C)C ZINC000678597411 487592204 /nfs/dbraw/zinc/59/22/04/487592204.db2.gz GTGNXZOFFFIULX-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C(C)C ZINC000678597413 487592138 /nfs/dbraw/zinc/59/21/38/487592138.db2.gz GTGNXZOFFFIULX-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C(C)C ZINC000678597414 487592192 /nfs/dbraw/zinc/59/21/92/487592192.db2.gz GTGNXZOFFFIULX-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1CCC1 ZINC000678597415 488269953 /nfs/dbraw/zinc/26/99/53/488269953.db2.gz DETAEZQTXNIZLD-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C(C)C ZINC000678597416 487592170 /nfs/dbraw/zinc/59/21/70/487592170.db2.gz GTGNXZOFFFIULX-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)[C@@H](C)c1ccccc1 ZINC000678597417 488269881 /nfs/dbraw/zinc/26/98/81/488269881.db2.gz DETAEZQTXNIZLD-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)[C@H](C)c1ccccc1 ZINC000678597419 488270108 /nfs/dbraw/zinc/27/01/08/488270108.db2.gz DETAEZQTXNIZLD-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)[C@@H](C)c1ccccc1 ZINC000678597421 488269967 /nfs/dbraw/zinc/26/99/67/488269967.db2.gz DETAEZQTXNIZLD-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CCC2CCC2)c1 ZINC000678597688 488269942 /nfs/dbraw/zinc/26/99/42/488269942.db2.gz HFUKETCRULJRAA-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CCC2CCC2)c1 ZINC000678597689 488269963 /nfs/dbraw/zinc/26/99/63/488269963.db2.gz HFUKETCRULJRAA-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598288 488269877 /nfs/dbraw/zinc/26/98/77/488269877.db2.gz QTCDVWJYAWABJY-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598289 488269861 /nfs/dbraw/zinc/26/98/61/488269861.db2.gz QTCDVWJYAWABJY-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598290 488270033 /nfs/dbraw/zinc/27/00/33/488270033.db2.gz QTCDVWJYAWABJY-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598291 488269970 /nfs/dbraw/zinc/26/99/70/488269970.db2.gz QTCDVWJYAWABJY-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC1(C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678598595 488269829 /nfs/dbraw/zinc/26/98/29/488269829.db2.gz STMBBZJDLLOEFB-CYBMUJFWSA-N 1 0 246.398 3.929 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678598597 488269876 /nfs/dbraw/zinc/26/98/76/488269876.db2.gz STMBBZJDLLOEFB-ZDUSSCGKSA-N 1 0 246.398 3.929 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598946 488270040 /nfs/dbraw/zinc/27/00/40/488270040.db2.gz VWCQDGPRFBKTGI-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598947 488269897 /nfs/dbraw/zinc/26/98/97/488269897.db2.gz VWCQDGPRFBKTGI-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598949 488269836 /nfs/dbraw/zinc/26/98/36/488269836.db2.gz VWCQDGPRFBKTGI-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598951 488270102 /nfs/dbraw/zinc/27/01/02/488270102.db2.gz VWCQDGPRFBKTGI-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000678599091 488270066 /nfs/dbraw/zinc/27/00/66/488270066.db2.gz WJWIHTSQDDDWJV-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000678599092 488269907 /nfs/dbraw/zinc/26/99/07/488269907.db2.gz WJWIHTSQDDDWJV-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000678599093 488269956 /nfs/dbraw/zinc/26/99/56/488269956.db2.gz WJWIHTSQDDDWJV-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CCOc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000678599094 488269945 /nfs/dbraw/zinc/26/99/45/488269945.db2.gz WJWIHTSQDDDWJV-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678599331 488269826 /nfs/dbraw/zinc/26/98/26/488269826.db2.gz YUQGBKJXALWLRV-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678599333 488270592 /nfs/dbraw/zinc/27/05/92/488270592.db2.gz YUQGBKJXALWLRV-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678599335 488270614 /nfs/dbraw/zinc/27/06/14/488270614.db2.gz YUQGBKJXALWLRV-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678599337 488270435 /nfs/dbraw/zinc/27/04/35/488270435.db2.gz YUQGBKJXALWLRV-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1ccc(F)cn1)C(C)C ZINC000678599419 488270368 /nfs/dbraw/zinc/27/03/68/488270368.db2.gz CCCSKDGVLWGEFX-LLVKDONJSA-N 1 0 238.350 3.552 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C ZINC000678599420 488270398 /nfs/dbraw/zinc/27/03/98/488270398.db2.gz CCCSKDGVLWGEFX-NSHDSACASA-N 1 0 238.350 3.552 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C(C(C)C)C(C)C ZINC000678599425 488270371 /nfs/dbraw/zinc/27/03/71/488270371.db2.gz CWMDOUGGCDINMM-CYBMUJFWSA-N 1 0 234.387 3.721 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C(C(C)C)C(C)C ZINC000678599426 488270541 /nfs/dbraw/zinc/27/05/41/488270541.db2.gz CWMDOUGGCDINMM-ZDUSSCGKSA-N 1 0 234.387 3.721 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1cncc(F)c1)C(C)C ZINC000678600337 488270376 /nfs/dbraw/zinc/27/03/76/488270376.db2.gz LNQSYYUYZYPILE-LLVKDONJSA-N 1 0 238.350 3.552 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1cncc(F)c1)C(C)C ZINC000678600338 488270562 /nfs/dbraw/zinc/27/05/62/488270562.db2.gz LNQSYYUYZYPILE-NSHDSACASA-N 1 0 238.350 3.552 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000678602959 487617273 /nfs/dbraw/zinc/61/72/73/487617273.db2.gz IBGVQKAWTYZMHC-QLFBSQMISA-N 1 0 239.403 3.669 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000678602960 487617279 /nfs/dbraw/zinc/61/72/79/487617279.db2.gz IBGVQKAWTYZMHC-RBSFLKMASA-N 1 0 239.403 3.669 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000678602961 487617398 /nfs/dbraw/zinc/61/73/98/487617398.db2.gz IBGVQKAWTYZMHC-RRFJBIMHSA-N 1 0 239.403 3.669 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000678602962 487617295 /nfs/dbraw/zinc/61/72/95/487617295.db2.gz IBGVQKAWTYZMHC-SOUVJXGZSA-N 1 0 239.403 3.669 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c(C)n1 ZINC000678603811 488270854 /nfs/dbraw/zinc/27/08/54/488270854.db2.gz LBSBIXGWSJNSBY-GXTWGEPZSA-N 1 0 234.387 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)c(C)n1 ZINC000678603812 488270829 /nfs/dbraw/zinc/27/08/29/488270829.db2.gz LBSBIXGWSJNSBY-JSGCOSHPSA-N 1 0 234.387 3.784 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)c(C)n1 ZINC000678603813 488271119 /nfs/dbraw/zinc/27/11/19/488271119.db2.gz LBSBIXGWSJNSBY-OCCSQVGLSA-N 1 0 234.387 3.784 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)c(C)n1 ZINC000678603814 488270835 /nfs/dbraw/zinc/27/08/35/488270835.db2.gz LBSBIXGWSJNSBY-TZMCWYRMSA-N 1 0 234.387 3.784 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)C1CC1 ZINC000678604156 488270836 /nfs/dbraw/zinc/27/08/36/488270836.db2.gz DCEMOKCHGABHRM-NRXISQOPSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)C1CC1 ZINC000678604157 488271179 /nfs/dbraw/zinc/27/11/79/488271179.db2.gz DCEMOKCHGABHRM-YMAMQOFZSA-N 1 0 239.403 3.501 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000678604158 488271093 /nfs/dbraw/zinc/27/10/93/488271093.db2.gz DDXHMWFFPXROQL-INIZCTEOSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000678604159 487621924 /nfs/dbraw/zinc/62/19/24/487621924.db2.gz DDXHMWFFPXROQL-MRXNPFEDSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)c(C)n1 ZINC000678605190 488270879 /nfs/dbraw/zinc/27/08/79/488270879.db2.gz KMZYNICHRNFRLE-GFCCVEGCSA-N 1 0 244.382 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)c(C)n1 ZINC000678605191 487623311 /nfs/dbraw/zinc/62/33/11/487623311.db2.gz KMZYNICHRNFRLE-LBPRGKRZSA-N 1 0 244.382 3.539 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]CC12CCC(CC1)C2 ZINC000678606102 488271561 /nfs/dbraw/zinc/27/15/61/488271561.db2.gz HNMRHBNOWKNYKO-DNOWBOINSA-N 1 0 249.423 3.849 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]CC12CCC(CC1)C2 ZINC000678606105 488271440 /nfs/dbraw/zinc/27/14/40/488271440.db2.gz HNMRHBNOWKNYKO-OPFPJEHXSA-N 1 0 249.423 3.849 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c(C)n1 ZINC000678607078 487626896 /nfs/dbraw/zinc/62/68/96/487626896.db2.gz BSCCERCAMYGHTC-AAEUAGOBSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c(C)n1 ZINC000678607079 487626951 /nfs/dbraw/zinc/62/69/51/487626951.db2.gz BSCCERCAMYGHTC-DGCLKSJQSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c(C)n1 ZINC000678607080 487626966 /nfs/dbraw/zinc/62/69/66/487626966.db2.gz BSCCERCAMYGHTC-WCQYABFASA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)c(C)n1 ZINC000678607081 487626960 /nfs/dbraw/zinc/62/69/60/487626960.db2.gz BSCCERCAMYGHTC-YPMHNXCESA-N 1 0 232.371 3.538 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C1CCC1 ZINC000678607106 488271821 /nfs/dbraw/zinc/27/18/21/488271821.db2.gz COKSRQGEZIMCII-NEPJUHHUSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc2c(c1)COC2 ZINC000678607107 488272041 /nfs/dbraw/zinc/27/20/41/488272041.db2.gz COKSRQGEZIMCII-NWDGAFQWSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc2c(c1)COC2 ZINC000678607108 488271862 /nfs/dbraw/zinc/27/18/62/488271862.db2.gz COKSRQGEZIMCII-RYUDHWBXSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc2c(c1)COC2 ZINC000678607109 488271939 /nfs/dbraw/zinc/27/19/39/488271939.db2.gz COKSRQGEZIMCII-VXGBXAGGSA-N 1 0 245.366 3.556 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc(OC)c1 ZINC000678607898 488271880 /nfs/dbraw/zinc/27/18/80/488271880.db2.gz VRVDPBIRTULMMP-BLLLJJGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc(OC)c1 ZINC000678607899 488271949 /nfs/dbraw/zinc/27/19/49/488271949.db2.gz VRVDPBIRTULMMP-LRDDRELGSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc(OC)c1 ZINC000678607900 488271955 /nfs/dbraw/zinc/27/19/55/488271955.db2.gz VRVDPBIRTULMMP-MLGOLLRUSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1cccc(OC)c1 ZINC000678607901 488272052 /nfs/dbraw/zinc/27/20/52/488272052.db2.gz VRVDPBIRTULMMP-WBMJQRKESA-N 1 0 247.382 3.925 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000678608425 488271915 /nfs/dbraw/zinc/27/19/15/488271915.db2.gz NRLDZLGKYISXJE-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000678608426 487629482 /nfs/dbraw/zinc/62/94/82/487629482.db2.gz NRLDZLGKYISXJE-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000678608427 487629489 /nfs/dbraw/zinc/62/94/89/487629489.db2.gz NRLDZLGKYISXJE-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000678608428 487629476 /nfs/dbraw/zinc/62/94/76/487629476.db2.gz NRLDZLGKYISXJE-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c(C)n1 ZINC000678612091 488272269 /nfs/dbraw/zinc/27/22/69/488272269.db2.gz SFLZSTSUPBJWSH-KBPBESRZSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c(C)n1 ZINC000678612093 488272546 /nfs/dbraw/zinc/27/25/46/488272546.db2.gz SFLZSTSUPBJWSH-KGLIPLIRSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c(C)n1 ZINC000678612094 488272413 /nfs/dbraw/zinc/27/24/13/488272413.db2.gz SFLZSTSUPBJWSH-UONOGXRCSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c(C)n1 ZINC000678612096 488272425 /nfs/dbraw/zinc/27/24/25/488272425.db2.gz SFLZSTSUPBJWSH-ZIAGYGMSSA-N 1 0 246.398 3.928 20 0 BHADRO CCOCCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000678683113 488276296 /nfs/dbraw/zinc/27/62/96/488276296.db2.gz DUJWUGWZQUYTEW-INIZCTEOSA-N 1 0 249.398 3.708 20 0 BHADRO CCOCCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000678683114 488276171 /nfs/dbraw/zinc/27/61/71/488276171.db2.gz DUJWUGWZQUYTEW-MRXNPFEDSA-N 1 0 249.398 3.708 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000678698386 488276833 /nfs/dbraw/zinc/27/68/33/488276833.db2.gz QCQBODQQVMSXAF-CHWSQXEVSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000678698387 488276755 /nfs/dbraw/zinc/27/67/55/488276755.db2.gz QCQBODQQVMSXAF-OLZOCXBDSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000678698388 488276846 /nfs/dbraw/zinc/27/68/46/488276846.db2.gz QCQBODQQVMSXAF-QWHCGFSZSA-N 1 0 246.398 3.873 20 0 BHADRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000678698389 488277123 /nfs/dbraw/zinc/27/71/23/488277123.db2.gz QCQBODQQVMSXAF-STQMWFEESA-N 1 0 246.398 3.873 20 0 BHADRO CC(C)[NH+](CCSc1ccccc1)C(C)C ZINC000678714382 488277036 /nfs/dbraw/zinc/27/70/36/488277036.db2.gz NWFJAPHVNQKRNQ-UHFFFAOYSA-N 1 0 237.412 3.898 20 0 BHADRO COc1cccc(CCC[NH+](C(C)C)C(C)C)c1 ZINC000678714404 488276885 /nfs/dbraw/zinc/27/68/85/488276885.db2.gz RQOYDDLTYBKYRH-UHFFFAOYSA-N 1 0 249.398 3.747 20 0 BHADRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000678725531 488278881 /nfs/dbraw/zinc/27/88/81/488278881.db2.gz IJVNABXKGWAOTE-CYBMUJFWSA-N 1 0 235.371 3.542 20 0 BHADRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccccc1 ZINC000678725534 488278941 /nfs/dbraw/zinc/27/89/41/488278941.db2.gz IJVNABXKGWAOTE-ZDUSSCGKSA-N 1 0 235.371 3.542 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000678727089 488279263 /nfs/dbraw/zinc/27/92/63/488279263.db2.gz DZIRFEVISQGGRG-AWEZNQCLSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000678727090 488279083 /nfs/dbraw/zinc/27/90/83/488279083.db2.gz DZIRFEVISQGGRG-CQSZACIVSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)(C)C)cc1 ZINC000678734474 488279562 /nfs/dbraw/zinc/27/95/62/488279562.db2.gz HHXXSTJSRXUNSA-AWEZNQCLSA-N 1 0 249.398 3.851 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)(C)C)cc1 ZINC000678734475 488279580 /nfs/dbraw/zinc/27/95/80/488279580.db2.gz HHXXSTJSRXUNSA-CQSZACIVSA-N 1 0 249.398 3.851 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC=CC1 ZINC000678770841 488281698 /nfs/dbraw/zinc/28/16/98/488281698.db2.gz VETPGERHXFYOPV-HNNXBMFYSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC=CC1 ZINC000678770843 488281686 /nfs/dbraw/zinc/28/16/86/488281686.db2.gz VETPGERHXFYOPV-OAHLLOKOSA-N 1 0 231.314 3.511 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1(C)CC1 ZINC000678773225 488281778 /nfs/dbraw/zinc/28/17/78/488281778.db2.gz VOQOMOBKRZNVEP-DOMZBBRYSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(C)CC1 ZINC000678773228 488281827 /nfs/dbraw/zinc/28/18/27/488281827.db2.gz VOQOMOBKRZNVEP-IUODEOHRSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(C)CC1 ZINC000678773231 488281791 /nfs/dbraw/zinc/28/17/91/488281791.db2.gz VOQOMOBKRZNVEP-SWLSCSKDSA-N 1 0 229.367 3.700 20 0 BHADRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1(C)CC1 ZINC000678773234 488281785 /nfs/dbraw/zinc/28/17/85/488281785.db2.gz VOQOMOBKRZNVEP-WFASDCNBSA-N 1 0 229.367 3.700 20 0 BHADRO CC(C)OCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678775861 488282252 /nfs/dbraw/zinc/28/22/52/488282252.db2.gz FUKTTWLFTMDTES-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)OCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678775862 488282182 /nfs/dbraw/zinc/28/21/82/488282182.db2.gz FUKTTWLFTMDTES-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO CCOCCC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000678785580 488282064 /nfs/dbraw/zinc/28/20/64/488282064.db2.gz LLRMETLWMYSQCG-UHFFFAOYSA-N 1 0 249.398 3.500 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795527 488284355 /nfs/dbraw/zinc/28/43/55/488284355.db2.gz BWJXYJUUVDGEQK-ISZGNANSSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795528 488284619 /nfs/dbraw/zinc/28/46/19/488284619.db2.gz BWJXYJUUVDGEQK-NNTXTVRGSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795529 488284560 /nfs/dbraw/zinc/28/45/60/488284560.db2.gz BWJXYJUUVDGEQK-WSNITJDQSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795530 488284600 /nfs/dbraw/zinc/28/46/00/488284600.db2.gz BWJXYJUUVDGEQK-ZRUQZJFASA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000678795889 488284511 /nfs/dbraw/zinc/28/45/11/488284511.db2.gz IZQLSYBWIBMECX-ISZGNANSSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000678795890 488284553 /nfs/dbraw/zinc/28/45/53/488284553.db2.gz IZQLSYBWIBMECX-NNTXTVRGSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000678795891 488284387 /nfs/dbraw/zinc/28/43/87/488284387.db2.gz IZQLSYBWIBMECX-WSNITJDQSA-N 1 0 239.309 3.828 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000678795892 488284653 /nfs/dbraw/zinc/28/46/53/488284653.db2.gz IZQLSYBWIBMECX-ZRUQZJFASA-N 1 0 239.309 3.828 20 0 BHADRO CC(C)(C)C[NH+](C[C@H]1CCCO1)CC(C)(C)C ZINC000678798562 488284586 /nfs/dbraw/zinc/28/45/86/488284586.db2.gz OQDQJSSULLLEOH-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)(C)C[NH+](C[C@@H]1CCCO1)CC(C)(C)C ZINC000678798564 488284655 /nfs/dbraw/zinc/28/46/55/488284655.db2.gz OQDQJSSULLLEOH-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)Cc1ccsc1 ZINC000678812022 487648313 /nfs/dbraw/zinc/64/83/13/487648313.db2.gz NSJCMTUBFXCFHC-LLVKDONJSA-N 1 0 211.374 3.616 20 0 BHADRO CCC[C@H](C)C[N@H+](C)Cc1ccsc1 ZINC000678812027 487648375 /nfs/dbraw/zinc/64/83/75/487648375.db2.gz NSJCMTUBFXCFHC-NSHDSACASA-N 1 0 211.374 3.616 20 0 BHADRO C[N@H+](CC(C)(C)c1ccccc1)C1CCCC1 ZINC000678812134 488286127 /nfs/dbraw/zinc/28/61/27/488286127.db2.gz VUJVOMXMCAYCPU-UHFFFAOYSA-N 1 0 231.383 3.839 20 0 BHADRO CC(C)(C[NH+]1C2CCC1CC2)c1ccccc1 ZINC000678812392 488286176 /nfs/dbraw/zinc/28/61/76/488286176.db2.gz RDPNHIWRVKVGHC-UHFFFAOYSA-N 1 0 229.367 3.591 20 0 BHADRO CC(C)C[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678812757 488286001 /nfs/dbraw/zinc/28/60/01/488286001.db2.gz VWUQDNIVODGKQP-UHFFFAOYSA-N 1 0 219.372 3.552 20 0 BHADRO C[N@H+](Cc1ccco1)CC(C)(C)c1ccccc1 ZINC000678813189 488285906 /nfs/dbraw/zinc/28/59/06/488285906.db2.gz VZKYJRHCCRDDDK-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO COc1ccc([C@@H](C)C[N@H+](C)CCC(C)C)cc1 ZINC000678813534 488286226 /nfs/dbraw/zinc/28/62/26/488286226.db2.gz CJHFEUISUFOUGD-AWEZNQCLSA-N 1 0 249.398 3.777 20 0 BHADRO COc1ccc([C@H](C)C[N@H+](C)CCC(C)C)cc1 ZINC000678813535 488285836 /nfs/dbraw/zinc/28/58/36/488285836.db2.gz CJHFEUISUFOUGD-CQSZACIVSA-N 1 0 249.398 3.777 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678814209 487648212 /nfs/dbraw/zinc/64/82/12/487648212.db2.gz DMBNIUDTVJEARW-CYBMUJFWSA-N 1 0 231.383 3.695 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678814210 487648256 /nfs/dbraw/zinc/64/82/56/487648256.db2.gz DMBNIUDTVJEARW-ZDUSSCGKSA-N 1 0 231.383 3.695 20 0 BHADRO CC[C@@H](C)[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678814539 488286424 /nfs/dbraw/zinc/28/64/24/488286424.db2.gz FKLIEBDDOZBVJV-CYBMUJFWSA-N 1 0 219.372 3.695 20 0 BHADRO CC[C@H](C)[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678814540 488286766 /nfs/dbraw/zinc/28/67/66/488286766.db2.gz FKLIEBDDOZBVJV-ZDUSSCGKSA-N 1 0 219.372 3.695 20 0 BHADRO C[N@H+](Cc1ccoc1)CC(C)(C)c1ccccc1 ZINC000678817873 487651491 /nfs/dbraw/zinc/65/14/91/487651491.db2.gz ABYNWXDCJFVJEJ-UHFFFAOYSA-N 1 0 243.350 3.689 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(c2ccccn2)CC1 ZINC000678818633 488287158 /nfs/dbraw/zinc/28/71/58/488287158.db2.gz HVRUWOLKFCKGPH-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(c2ccccn2)CC1 ZINC000678818634 488287433 /nfs/dbraw/zinc/28/74/33/488287433.db2.gz HVRUWOLKFCKGPH-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678819951 488286990 /nfs/dbraw/zinc/28/69/90/488286990.db2.gz YRZNLZBMPOAYAG-BBRMVZONSA-N 1 0 247.382 3.965 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678819954 488287300 /nfs/dbraw/zinc/28/73/00/488287300.db2.gz YRZNLZBMPOAYAG-CJNGLKHVSA-N 1 0 247.382 3.965 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678819956 488287033 /nfs/dbraw/zinc/28/70/33/488287033.db2.gz YRZNLZBMPOAYAG-CZUORRHYSA-N 1 0 247.382 3.965 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678819959 488287255 /nfs/dbraw/zinc/28/72/55/488287255.db2.gz YRZNLZBMPOAYAG-XJKSGUPXSA-N 1 0 247.382 3.965 20 0 BHADRO CCC[C@H](C)C[N@H+](CC)CCC(F)(F)F ZINC000678821388 488287239 /nfs/dbraw/zinc/28/72/39/488287239.db2.gz PEKUGOAQNGJXAY-JTQLQIEISA-N 1 0 225.298 3.697 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC)CCC(F)(F)F ZINC000678821389 488287350 /nfs/dbraw/zinc/28/73/50/488287350.db2.gz PEKUGOAQNGJXAY-SNVBAGLBSA-N 1 0 225.298 3.697 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC)Cc1ccoc1 ZINC000678822532 488287760 /nfs/dbraw/zinc/28/77/60/488287760.db2.gz HCRIJELBUJSIHA-GFCCVEGCSA-N 1 0 209.333 3.538 20 0 BHADRO CCC[C@H](C)C[N@H+](CC)Cc1ccoc1 ZINC000678822533 488287746 /nfs/dbraw/zinc/28/77/46/488287746.db2.gz HCRIJELBUJSIHA-LBPRGKRZSA-N 1 0 209.333 3.538 20 0 BHADRO CCCC[N@H+](C)CC(C)(C)c1ccccc1 ZINC000678826584 488288329 /nfs/dbraw/zinc/28/83/29/488288329.db2.gz FBJWLBWGOUDIDS-UHFFFAOYSA-N 1 0 219.372 3.696 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000678826744 488288176 /nfs/dbraw/zinc/28/81/76/488288176.db2.gz JBEVRTMXHOUCNB-KBPBESRZSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000678826745 488288363 /nfs/dbraw/zinc/28/83/63/488288363.db2.gz JBEVRTMXHOUCNB-KGLIPLIRSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000678826746 488288233 /nfs/dbraw/zinc/28/82/33/488288233.db2.gz JBEVRTMXHOUCNB-UONOGXRCSA-N 1 0 247.382 3.531 20 0 BHADRO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000678826747 488288493 /nfs/dbraw/zinc/28/84/93/488288493.db2.gz JBEVRTMXHOUCNB-ZIAGYGMSSA-N 1 0 247.382 3.531 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000678828279 488288169 /nfs/dbraw/zinc/28/81/69/488288169.db2.gz DKZGUJCEFQYPDZ-CHWSQXEVSA-N 1 0 221.344 3.505 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000678828281 488288129 /nfs/dbraw/zinc/28/81/29/488288129.db2.gz DKZGUJCEFQYPDZ-OLZOCXBDSA-N 1 0 221.344 3.505 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000678828283 488288489 /nfs/dbraw/zinc/28/84/89/488288489.db2.gz DKZGUJCEFQYPDZ-QWHCGFSZSA-N 1 0 221.344 3.505 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000678828285 487658608 /nfs/dbraw/zinc/65/86/08/487658608.db2.gz DKZGUJCEFQYPDZ-STQMWFEESA-N 1 0 221.344 3.505 20 0 BHADRO CC[N@H+](CC1CC1)CC(C)(C)c1ccccc1 ZINC000678829486 488289182 /nfs/dbraw/zinc/28/91/82/488289182.db2.gz FADORRVHVQZYAX-UHFFFAOYSA-N 1 0 231.383 3.696 20 0 BHADRO CC1=CC[N@H+](CC(C)(C)c2ccccc2)CC1 ZINC000678831707 488288732 /nfs/dbraw/zinc/28/87/32/488288732.db2.gz PKFGPGVXVITPEU-UHFFFAOYSA-N 1 0 229.367 3.616 20 0 BHADRO CC[N@H+](CC(C)(C)c1ccccc1)C1CCC1 ZINC000678833491 488289377 /nfs/dbraw/zinc/28/93/77/488289377.db2.gz CNHGGRVXNRRDOW-UHFFFAOYSA-N 1 0 231.383 3.839 20 0 BHADRO C[N@H+](CCC1CC1)CC(C)(C)c1ccccc1 ZINC000678842736 488290070 /nfs/dbraw/zinc/29/00/70/488290070.db2.gz YSGXXEGGDISKEW-UHFFFAOYSA-N 1 0 231.383 3.696 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1cscc1Cl ZINC000678850730 488290973 /nfs/dbraw/zinc/29/09/73/488290973.db2.gz HSPVFWQDGLFWTI-LLVKDONJSA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1cscc1Cl ZINC000678850731 488287451 /nfs/dbraw/zinc/28/74/51/488287451.db2.gz HSPVFWQDGLFWTI-NSHDSACASA-N 1 0 229.776 3.632 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1CC(C)(C)c1ccccc1 ZINC000678851573 488290894 /nfs/dbraw/zinc/29/08/94/488290894.db2.gz QXEWVAKNCGQOEZ-HNNXBMFYSA-N 1 0 231.383 3.695 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1CC(C)(C)c1ccccc1 ZINC000678851574 488290753 /nfs/dbraw/zinc/29/07/53/488290753.db2.gz QXEWVAKNCGQOEZ-OAHLLOKOSA-N 1 0 231.383 3.695 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000678852011 488290838 /nfs/dbraw/zinc/29/08/38/488290838.db2.gz VDGBXHXHJQWKOF-INIZCTEOSA-N 1 0 229.367 3.794 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000678852012 488291000 /nfs/dbraw/zinc/29/10/00/488291000.db2.gz VDGBXHXHJQWKOF-MRXNPFEDSA-N 1 0 229.367 3.794 20 0 BHADRO CC1(C)CCC(C[N@@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000678891416 488294086 /nfs/dbraw/zinc/29/40/86/488294086.db2.gz FTOVKYFVJMRTEE-GFCCVEGCSA-N 1 0 245.357 3.790 20 0 BHADRO CC1(C)CCC(C[N@@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000678891420 488294154 /nfs/dbraw/zinc/29/41/54/488294154.db2.gz FTOVKYFVJMRTEE-LBPRGKRZSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)C([NH2+]Cc1ccccc1N(C)C)C(C)C ZINC000678900830 488295114 /nfs/dbraw/zinc/29/51/14/488295114.db2.gz ANUUXGDSEVVYGH-UHFFFAOYSA-N 1 0 248.414 3.523 20 0 BHADRO CC(C)C([NH2+]Cc1nc2ccccc2o1)C(C)C ZINC000678900842 487680567 /nfs/dbraw/zinc/68/05/67/487680567.db2.gz BDHXIVPCZNZHSB-UHFFFAOYSA-N 1 0 246.354 3.598 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)CC)C1CCOCC1 ZINC000678901013 488295082 /nfs/dbraw/zinc/29/50/82/488295082.db2.gz AAWAFZISPQBAKG-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)CC)C1CCOCC1 ZINC000678901014 488295024 /nfs/dbraw/zinc/29/50/24/488295024.db2.gz AAWAFZISPQBAKG-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO C/C=C\C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904041 488294849 /nfs/dbraw/zinc/29/48/49/488294849.db2.gz ZRXCDGMTXSWBAT-ABCZVMIZSA-N 1 0 233.330 3.751 20 0 BHADRO C/C=C/C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904043 488294989 /nfs/dbraw/zinc/29/49/89/488294989.db2.gz ZRXCDGMTXSWBAT-BWPKMQGJSA-N 1 0 233.330 3.751 20 0 BHADRO C/C=C\C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904044 488295055 /nfs/dbraw/zinc/29/50/55/488295055.db2.gz ZRXCDGMTXSWBAT-JZIMQPMSSA-N 1 0 233.330 3.751 20 0 BHADRO C/C=C/C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904046 488295011 /nfs/dbraw/zinc/29/50/11/488295011.db2.gz ZRXCDGMTXSWBAT-NHZBNJEXSA-N 1 0 233.330 3.751 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000678916240 488294981 /nfs/dbraw/zinc/29/49/81/488294981.db2.gz QFDSVVLOVHJWIG-BFHYXJOUSA-N 1 0 249.398 3.823 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000678916241 488295007 /nfs/dbraw/zinc/29/50/07/488295007.db2.gz QFDSVVLOVHJWIG-IHRRRGAJSA-N 1 0 249.398 3.823 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000678916242 488294985 /nfs/dbraw/zinc/29/49/85/488294985.db2.gz QFDSVVLOVHJWIG-MELADBBJSA-N 1 0 249.398 3.823 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000678916243 488295198 /nfs/dbraw/zinc/29/51/98/488295198.db2.gz QFDSVVLOVHJWIG-MJBXVCDLSA-N 1 0 249.398 3.823 20 0 BHADRO COc1ccccc1C(C)(C)C[NH2+]CC(C)(C)C ZINC000678923082 488295381 /nfs/dbraw/zinc/29/53/81/488295381.db2.gz YSJPTYHFTYFJMY-UHFFFAOYSA-N 1 0 249.398 3.609 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000678925857 488295431 /nfs/dbraw/zinc/29/54/31/488295431.db2.gz DKESDYHHSCWQRJ-DZGCQCFKSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000678925858 488295332 /nfs/dbraw/zinc/29/53/32/488295332.db2.gz DKESDYHHSCWQRJ-HIFRSBDPSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000678925860 488295595 /nfs/dbraw/zinc/29/55/95/488295595.db2.gz DKESDYHHSCWQRJ-UKRRQHHQSA-N 1 0 232.371 3.530 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000678925861 488295696 /nfs/dbraw/zinc/29/56/96/488295696.db2.gz DKESDYHHSCWQRJ-ZFWWWQNUSA-N 1 0 232.371 3.530 20 0 BHADRO CC(C)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000678927311 488295948 /nfs/dbraw/zinc/29/59/48/488295948.db2.gz OVDNNCFCXDZESH-UHFFFAOYSA-N 1 0 239.362 3.894 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CC=CC1)CCC2 ZINC000678928336 487692088 /nfs/dbraw/zinc/69/20/88/487692088.db2.gz YMJNIUWMFKTDPE-HNNXBMFYSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CC=CC1)CCC2 ZINC000678928337 487692538 /nfs/dbraw/zinc/69/25/38/487692538.db2.gz YMJNIUWMFKTDPE-OAHLLOKOSA-N 1 0 231.314 3.511 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678928521 488296110 /nfs/dbraw/zinc/29/61/10/488296110.db2.gz SAFYQEJVJLOSCO-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678928522 488296128 /nfs/dbraw/zinc/29/61/28/488296128.db2.gz SAFYQEJVJLOSCO-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678928523 488296079 /nfs/dbraw/zinc/29/60/79/488296079.db2.gz SAFYQEJVJLOSCO-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678928524 488296094 /nfs/dbraw/zinc/29/60/94/488296094.db2.gz SAFYQEJVJLOSCO-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CCCC2CC2)cc1 ZINC000678931232 488295863 /nfs/dbraw/zinc/29/58/63/488295863.db2.gz FWEHSZABIKXLHH-DUXPYHPUSA-N 1 0 233.330 3.619 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CCCC2CC2)cc1 ZINC000678931233 488296037 /nfs/dbraw/zinc/29/60/37/488296037.db2.gz FWEHSZABIKXLHH-RQOWECAXSA-N 1 0 233.330 3.619 20 0 BHADRO Cc1ncccc1C[NH2+]C(CC(C)C)CC(C)C ZINC000678931525 488296063 /nfs/dbraw/zinc/29/60/63/488296063.db2.gz MUYLZFWLRRXCFU-UHFFFAOYSA-N 1 0 248.414 3.940 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000678931684 488296059 /nfs/dbraw/zinc/29/60/59/488296059.db2.gz SIQVCVYMMDGFAQ-CYBMUJFWSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)C(C)(C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000678931687 488295886 /nfs/dbraw/zinc/29/58/86/488295886.db2.gz SIQVCVYMMDGFAQ-ZDUSSCGKSA-N 1 0 247.382 3.577 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000678932776 488296355 /nfs/dbraw/zinc/29/63/55/488296355.db2.gz WXUREMYRISQUKU-CYBMUJFWSA-N 1 0 246.398 3.696 20 0 BHADRO Cc1ncccc1C[NH2+]C[C@H](C)C1CCCCC1 ZINC000678932777 488296375 /nfs/dbraw/zinc/29/63/75/488296375.db2.gz WXUREMYRISQUKU-ZDUSSCGKSA-N 1 0 246.398 3.696 20 0 BHADRO CC(C)(C[NH2+]CC1CCCC1)Oc1ccccc1 ZINC000678933029 488296382 /nfs/dbraw/zinc/29/63/82/488296382.db2.gz POBSEZUIUXENSB-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC1)c1ccc(F)cc1F ZINC000678936343 488296488 /nfs/dbraw/zinc/29/64/88/488296488.db2.gz AFOPCLNSPFLGRM-AWEZNQCLSA-N 1 0 239.309 3.662 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1F ZINC000678936345 488296432 /nfs/dbraw/zinc/29/64/32/488296432.db2.gz AFOPCLNSPFLGRM-CQSZACIVSA-N 1 0 239.309 3.662 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678937107 488296436 /nfs/dbraw/zinc/29/64/36/488296436.db2.gz KZPYEHJIIVFLBJ-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678937108 488296357 /nfs/dbraw/zinc/29/63/57/488296357.db2.gz KZPYEHJIIVFLBJ-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678937110 488296424 /nfs/dbraw/zinc/29/64/24/488296424.db2.gz KZPYEHJIIVFLBJ-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678937111 488296392 /nfs/dbraw/zinc/29/63/92/488296392.db2.gz KZPYEHJIIVFLBJ-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000678937467 488296330 /nfs/dbraw/zinc/29/63/30/488296330.db2.gz MJSIAOMDTYMXNQ-AWEZNQCLSA-N 1 0 241.325 3.908 20 0 BHADRO CC(C)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000678937469 488296320 /nfs/dbraw/zinc/29/63/20/488296320.db2.gz MJSIAOMDTYMXNQ-CQSZACIVSA-N 1 0 241.325 3.908 20 0 BHADRO CCC(CC)C[NH2+][C@H](CC)c1c(C)noc1C ZINC000678940051 488296690 /nfs/dbraw/zinc/29/66/90/488296690.db2.gz GFDAFTUVWFEMJL-CYBMUJFWSA-N 1 0 238.375 3.768 20 0 BHADRO CCC(CC)C[NH2+][C@@H](CC)c1c(C)noc1C ZINC000678940052 488295609 /nfs/dbraw/zinc/29/56/09/488295609.db2.gz GFDAFTUVWFEMJL-ZDUSSCGKSA-N 1 0 238.375 3.768 20 0 BHADRO CC(C)C([NH2+][C@H](C)c1cccc(CO)c1)C(C)C ZINC000678944894 488297402 /nfs/dbraw/zinc/29/74/02/488297402.db2.gz HLBNABFSLZOFRJ-CYBMUJFWSA-N 1 0 249.398 3.510 20 0 BHADRO CC(C)C([NH2+][C@@H](C)c1cccc(CO)c1)C(C)C ZINC000678944895 488297345 /nfs/dbraw/zinc/29/73/45/488297345.db2.gz HLBNABFSLZOFRJ-ZDUSSCGKSA-N 1 0 249.398 3.510 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000678952636 488298418 /nfs/dbraw/zinc/29/84/18/488298418.db2.gz KFENKMCXENRUIA-NEPJUHHUSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000678952637 488298328 /nfs/dbraw/zinc/29/83/28/488298328.db2.gz KFENKMCXENRUIA-NWDGAFQWSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)C1CC1)c1ccc(F)cc1 ZINC000678952638 488298541 /nfs/dbraw/zinc/29/85/41/488298541.db2.gz KFENKMCXENRUIA-RYUDHWBXSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000678952639 488298484 /nfs/dbraw/zinc/29/84/84/488298484.db2.gz KFENKMCXENRUIA-VXGBXAGGSA-N 1 0 235.346 3.565 20 0 BHADRO C[C@@H](CCc1ccccc1)C[NH2+]C1CC=CC1 ZINC000678956691 488298741 /nfs/dbraw/zinc/29/87/41/488298741.db2.gz XMZNFXOWKQMWRS-AWEZNQCLSA-N 1 0 229.367 3.564 20 0 BHADRO C[C@H](CCc1ccccc1)C[NH2+]C1CC=CC1 ZINC000678956692 488298819 /nfs/dbraw/zinc/29/88/19/488298819.db2.gz XMZNFXOWKQMWRS-CQSZACIVSA-N 1 0 229.367 3.564 20 0 BHADRO CCC[C@H](C)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000678965888 488299593 /nfs/dbraw/zinc/29/95/93/488299593.db2.gz LITDTXBMKPZNLF-NFOMZHRRSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@@H](C)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000678965889 488299609 /nfs/dbraw/zinc/29/96/09/488299609.db2.gz LITDTXBMKPZNLF-WLYUNCDWSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1ncccc1C[NH2+]CC1(C)CCCCCC1 ZINC000678970083 488300155 /nfs/dbraw/zinc/30/01/55/488300155.db2.gz KSMVGSJYWDXHSE-UHFFFAOYSA-N 1 0 246.398 3.840 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCCC2)cc1 ZINC000678995668 488301928 /nfs/dbraw/zinc/30/19/28/488301928.db2.gz RWOTVTDHMVYZHP-DOTOQJQBSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCCC2)cc1 ZINC000678995669 488301907 /nfs/dbraw/zinc/30/19/07/488301907.db2.gz RWOTVTDHMVYZHP-NVXWUHKLSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000678995670 488301855 /nfs/dbraw/zinc/30/18/55/488301855.db2.gz RWOTVTDHMVYZHP-RDJZCZTQSA-N 1 0 243.394 3.930 20 0 BHADRO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000678995671 488301747 /nfs/dbraw/zinc/30/17/47/488301747.db2.gz RWOTVTDHMVYZHP-WBVHZDCISA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC1(C)C ZINC000679008387 488302780 /nfs/dbraw/zinc/30/27/80/488302780.db2.gz IHSQPESUSHLBFH-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC1(C)C ZINC000679008388 488302862 /nfs/dbraw/zinc/30/28/62/488302862.db2.gz IHSQPESUSHLBFH-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC1(C)C ZINC000679008389 488302858 /nfs/dbraw/zinc/30/28/58/488302858.db2.gz IHSQPESUSHLBFH-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC1(C)C ZINC000679008390 488302835 /nfs/dbraw/zinc/30/28/35/488302835.db2.gz IHSQPESUSHLBFH-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000679008417 488302807 /nfs/dbraw/zinc/30/28/07/488302807.db2.gz JAKRJXIYOWYPFD-JMSVASOKSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000679008419 488302692 /nfs/dbraw/zinc/30/26/92/488302692.db2.gz JAKRJXIYOWYPFD-LALPHHSUSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000679008421 488302795 /nfs/dbraw/zinc/30/27/95/488302795.db2.gz JAKRJXIYOWYPFD-TYNCELHUSA-N 1 0 247.382 3.575 20 0 BHADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000679008424 488302907 /nfs/dbraw/zinc/30/29/07/488302907.db2.gz JAKRJXIYOWYPFD-XUJVJEKNSA-N 1 0 247.382 3.575 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC1(C)C ZINC000679008439 488302793 /nfs/dbraw/zinc/30/27/93/488302793.db2.gz JGLVOEFITZVZMD-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC1(C)C ZINC000679008440 488302824 /nfs/dbraw/zinc/30/28/24/488302824.db2.gz JGLVOEFITZVZMD-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC1(C)C ZINC000679008441 488302819 /nfs/dbraw/zinc/30/28/19/488302819.db2.gz JGLVOEFITZVZMD-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC1(C)C ZINC000679008443 488302721 /nfs/dbraw/zinc/30/27/21/488302721.db2.gz JGLVOEFITZVZMD-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC1(C)C ZINC000679008806 488302758 /nfs/dbraw/zinc/30/27/58/488302758.db2.gz PLADPTBMOOXCFV-BXUZGUMPSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CC1(C)C ZINC000679008808 488302777 /nfs/dbraw/zinc/30/27/77/488302777.db2.gz PLADPTBMOOXCFV-FZMZJTMJSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC1(C)C ZINC000679008811 488302870 /nfs/dbraw/zinc/30/28/70/488302870.db2.gz PLADPTBMOOXCFV-RISCZKNCSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC1(C)C ZINC000679008813 488302733 /nfs/dbraw/zinc/30/27/33/488302733.db2.gz PLADPTBMOOXCFV-SMDDNHRTSA-N 1 0 235.346 3.535 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000679008908 488302688 /nfs/dbraw/zinc/30/26/88/488302688.db2.gz RDUHOAOYPJAFFS-ILXRZTDVSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000679008910 488302700 /nfs/dbraw/zinc/30/27/00/488302700.db2.gz RDUHOAOYPJAFFS-KFWWJZLASA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000679008912 488302675 /nfs/dbraw/zinc/30/26/75/488302675.db2.gz RDUHOAOYPJAFFS-KKUMJFAQSA-N 1 0 229.367 3.711 20 0 BHADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000679008914 488302630 /nfs/dbraw/zinc/30/26/30/488302630.db2.gz RDUHOAOYPJAFFS-ZNMIVQPWSA-N 1 0 229.367 3.711 20 0 BHADRO CC(C)[C@@H](C)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679012542 488302817 /nfs/dbraw/zinc/30/28/17/488302817.db2.gz UJLOLLCAKUWJFV-CYBMUJFWSA-N 1 0 249.398 3.998 20 0 BHADRO CC(C)[C@H](C)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679012543 488302790 /nfs/dbraw/zinc/30/27/90/488302790.db2.gz UJLOLLCAKUWJFV-ZDUSSCGKSA-N 1 0 249.398 3.998 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679012897 488302832 /nfs/dbraw/zinc/30/28/32/488302832.db2.gz ZMKSKWRRICHTLD-GFCCVEGCSA-N 1 0 235.371 3.752 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679012898 488302709 /nfs/dbraw/zinc/30/27/09/488302709.db2.gz ZMKSKWRRICHTLD-LBPRGKRZSA-N 1 0 235.371 3.752 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679013082 488302623 /nfs/dbraw/zinc/30/26/23/488302623.db2.gz BOWRHSFQXMDYTQ-GFCCVEGCSA-N 1 0 235.346 3.839 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679013083 488302706 /nfs/dbraw/zinc/30/27/06/488302706.db2.gz BOWRHSFQXMDYTQ-LBPRGKRZSA-N 1 0 235.346 3.839 20 0 BHADRO C[C@H](CC1CC1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679013258 488302730 /nfs/dbraw/zinc/30/27/30/488302730.db2.gz DMNKDZJFBZOIDO-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679013259 488302708 /nfs/dbraw/zinc/30/27/08/488302708.db2.gz DMNKDZJFBZOIDO-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO CCC[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679014372 488302784 /nfs/dbraw/zinc/30/27/84/488302784.db2.gz UUJSVORXUUQMCY-GFCCVEGCSA-N 1 0 235.346 3.983 20 0 BHADRO CCC[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679014374 488302843 /nfs/dbraw/zinc/30/28/43/488302843.db2.gz UUJSVORXUUQMCY-LBPRGKRZSA-N 1 0 235.346 3.983 20 0 BHADRO CC[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000679017100 487724882 /nfs/dbraw/zinc/72/48/82/487724882.db2.gz UPOHYMKHCYVUBS-HNNXBMFYSA-N 1 0 247.357 3.983 20 0 BHADRO CC[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000679017108 487724856 /nfs/dbraw/zinc/72/48/56/487724856.db2.gz UPOHYMKHCYVUBS-OAHLLOKOSA-N 1 0 247.357 3.983 20 0 BHADRO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000679020829 488303220 /nfs/dbraw/zinc/30/32/20/488303220.db2.gz CNBHBYVWNPEDBB-AWEZNQCLSA-N 1 0 249.398 3.539 20 0 BHADRO CCC(O)(CC)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000679020830 488303356 /nfs/dbraw/zinc/30/33/56/488303356.db2.gz CNBHBYVWNPEDBB-CQSZACIVSA-N 1 0 249.398 3.539 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1(c2ccccc2)CC1 ZINC000679031594 488304265 /nfs/dbraw/zinc/30/42/65/488304265.db2.gz FROQNFGGAWWHES-CYBMUJFWSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1(c2ccccc2)CC1 ZINC000679031596 488304188 /nfs/dbraw/zinc/30/41/88/488304188.db2.gz FROQNFGGAWWHES-ZDUSSCGKSA-N 1 0 229.367 3.844 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000679040812 488304307 /nfs/dbraw/zinc/30/43/07/488304307.db2.gz IAMBDQYINHPRAR-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000679040813 488304377 /nfs/dbraw/zinc/30/43/77/488304377.db2.gz IAMBDQYINHPRAR-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000679041606 488304401 /nfs/dbraw/zinc/30/44/01/488304401.db2.gz VKAUTZFEYQFBQW-CVEARBPZSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000679041609 488304224 /nfs/dbraw/zinc/30/42/24/488304224.db2.gz VKAUTZFEYQFBQW-HOTGVXAUSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000679041611 488304407 /nfs/dbraw/zinc/30/44/07/488304407.db2.gz VKAUTZFEYQFBQW-HZPDHXFCSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000679041612 488304304 /nfs/dbraw/zinc/30/43/04/488304304.db2.gz VKAUTZFEYQFBQW-JKSUJKDBSA-N 1 0 246.398 3.839 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)c1cccs1)c1ccncc1 ZINC000679042834 488304196 /nfs/dbraw/zinc/30/41/96/488304196.db2.gz FHAOWRYJKQGSSI-LLVKDONJSA-N 1 0 246.379 3.729 20 0 BHADRO C[C@H]([NH2+]C(C)(C)c1cccs1)c1ccncc1 ZINC000679042838 488304458 /nfs/dbraw/zinc/30/44/58/488304458.db2.gz FHAOWRYJKQGSSI-NSHDSACASA-N 1 0 246.379 3.729 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000679047723 488304918 /nfs/dbraw/zinc/30/49/18/488304918.db2.gz AEQIXFJKHHCIOZ-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1(c2ccccc2F)CC1 ZINC000679047725 488304990 /nfs/dbraw/zinc/30/49/90/488304990.db2.gz AEQIXFJKHHCIOZ-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000679048544 488305027 /nfs/dbraw/zinc/30/50/27/488305027.db2.gz IAPOJMNJHKLQFT-IOASZLSFSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000679048546 488304933 /nfs/dbraw/zinc/30/49/33/488304933.db2.gz IAPOJMNJHKLQFT-WOSRLPQWSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000679048547 488305106 /nfs/dbraw/zinc/30/51/06/488305106.db2.gz IAPOJMNJHKLQFT-XJKCOSOUSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000679048549 488304858 /nfs/dbraw/zinc/30/48/58/488304858.db2.gz IAPOJMNJHKLQFT-ZENOOKHLSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000679049039 488304725 /nfs/dbraw/zinc/30/47/25/488304725.db2.gz LYZNLNWJSFMZAP-GFCCVEGCSA-N 1 0 247.357 3.983 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000679049041 488304930 /nfs/dbraw/zinc/30/49/30/488304930.db2.gz LYZNLNWJSFMZAP-LBPRGKRZSA-N 1 0 247.357 3.983 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000679049162 488304770 /nfs/dbraw/zinc/30/47/70/488304770.db2.gz NOOOQCHRZLEKOX-CVEARBPZSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000679049164 488304777 /nfs/dbraw/zinc/30/47/77/488304777.db2.gz NOOOQCHRZLEKOX-HOTGVXAUSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000679049165 488305040 /nfs/dbraw/zinc/30/50/40/488305040.db2.gz NOOOQCHRZLEKOX-HZPDHXFCSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000679049318 488304808 /nfs/dbraw/zinc/30/48/08/488304808.db2.gz NOOOQCHRZLEKOX-JKSUJKDBSA-N 1 0 247.382 3.542 20 0 BHADRO CCC(CC)(CC)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000679051014 488304806 /nfs/dbraw/zinc/30/48/06/488304806.db2.gz UWVFGPFSDTUURE-GFCCVEGCSA-N 1 0 249.402 3.713 20 0 BHADRO CCC(CC)(CC)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000679051015 488304803 /nfs/dbraw/zinc/30/48/03/488304803.db2.gz UWVFGPFSDTUURE-LBPRGKRZSA-N 1 0 249.402 3.713 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000679062835 488305627 /nfs/dbraw/zinc/30/56/27/488305627.db2.gz HZPYMQYOUPVHCJ-HNNXBMFYSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000679062839 488305347 /nfs/dbraw/zinc/30/53/47/488305347.db2.gz HZPYMQYOUPVHCJ-OAHLLOKOSA-N 1 0 227.351 3.515 20 0 BHADRO CC[C@H]([NH2+]CCOC1CCC1)C1CCCCC1 ZINC000679063735 488305618 /nfs/dbraw/zinc/30/56/18/488305618.db2.gz GNLXDSZFSUDCFL-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]CCOC1CCC1)C1CCCCC1 ZINC000679063737 488303536 /nfs/dbraw/zinc/30/35/36/488303536.db2.gz GNLXDSZFSUDCFL-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOC2CCC2)c(C)c1 ZINC000679065605 488305651 /nfs/dbraw/zinc/30/56/51/488305651.db2.gz LSIGJAAGUFEIIS-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCC2)c(C)c1 ZINC000679065607 488305404 /nfs/dbraw/zinc/30/54/04/488305404.db2.gz LSIGJAAGUFEIIS-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1C ZINC000679068311 488305581 /nfs/dbraw/zinc/30/55/81/488305581.db2.gz ZAMRGSZRCCHZQZ-AWEZNQCLSA-N 1 0 247.382 3.523 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1C ZINC000679068312 488305285 /nfs/dbraw/zinc/30/52/85/488305285.db2.gz ZAMRGSZRCCHZQZ-CQSZACIVSA-N 1 0 247.382 3.523 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)o1 ZINC000679070926 488306024 /nfs/dbraw/zinc/30/60/24/488306024.db2.gz BAGVJHNRAGRHBG-NXEZZACHSA-N 1 0 243.297 3.680 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)o1 ZINC000679070927 488306157 /nfs/dbraw/zinc/30/61/57/488306157.db2.gz BAGVJHNRAGRHBG-UWVGGRQHSA-N 1 0 243.297 3.680 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)o1 ZINC000679070928 488305848 /nfs/dbraw/zinc/30/58/48/488305848.db2.gz BAGVJHNRAGRHBG-VHSXEESVSA-N 1 0 243.297 3.680 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)o1 ZINC000679070929 488305974 /nfs/dbraw/zinc/30/59/74/488305974.db2.gz BAGVJHNRAGRHBG-ZJUUUORDSA-N 1 0 243.297 3.680 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000679071898 488305844 /nfs/dbraw/zinc/30/58/44/488305844.db2.gz MGRNCNWPJAPKHZ-NXEZZACHSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000679071900 488306227 /nfs/dbraw/zinc/30/62/27/488306227.db2.gz MGRNCNWPJAPKHZ-UWVGGRQHSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000679071902 488306298 /nfs/dbraw/zinc/30/62/98/488306298.db2.gz MGRNCNWPJAPKHZ-VHSXEESVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1C(C)(C)C1(C)C ZINC000679071904 488306017 /nfs/dbraw/zinc/30/60/17/488306017.db2.gz MGRNCNWPJAPKHZ-ZJUUUORDSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074946 488304323 /nfs/dbraw/zinc/30/43/23/488304323.db2.gz WFRRMUXRPKDBDU-FDYHWXHSSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074947 488304958 /nfs/dbraw/zinc/30/49/58/488304958.db2.gz WFRRMUXRPKDBDU-FVCCEPFGSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074948 488304885 /nfs/dbraw/zinc/30/48/85/488304885.db2.gz WFRRMUXRPKDBDU-LPWJVIDDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074949 488305113 /nfs/dbraw/zinc/30/51/13/488305113.db2.gz WFRRMUXRPKDBDU-NDBYEHHHSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000679087375 488307270 /nfs/dbraw/zinc/30/72/70/488307270.db2.gz YKQSBZLXNSCGIV-AWEZNQCLSA-N 1 0 247.382 3.514 20 0 BHADRO CC[C@@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000679087376 488307117 /nfs/dbraw/zinc/30/71/17/488307117.db2.gz YKQSBZLXNSCGIV-CQSZACIVSA-N 1 0 247.382 3.514 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000679090785 488307884 /nfs/dbraw/zinc/30/78/84/488307884.db2.gz CMVZTDZMGFLYPZ-KKUMJFAQSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000679090786 488307747 /nfs/dbraw/zinc/30/77/47/488307747.db2.gz CMVZTDZMGFLYPZ-RRFJBIMHSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000679090787 488307953 /nfs/dbraw/zinc/30/79/53/488307953.db2.gz CMVZTDZMGFLYPZ-SOUVJXGZSA-N 1 0 239.403 3.669 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000679090788 488307866 /nfs/dbraw/zinc/30/78/66/488307866.db2.gz CMVZTDZMGFLYPZ-ZNMIVQPWSA-N 1 0 239.403 3.669 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000679091619 487757804 /nfs/dbraw/zinc/75/78/04/487757804.db2.gz HGSHICLBDIAFGW-ILXRZTDVSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000679091620 487757797 /nfs/dbraw/zinc/75/77/97/487757797.db2.gz HGSHICLBDIAFGW-KKUMJFAQSA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000679091626 487757672 /nfs/dbraw/zinc/75/76/72/487757672.db2.gz HGSHICLBDIAFGW-QLFBSQMISA-N 1 0 241.419 3.893 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000679091627 487757681 /nfs/dbraw/zinc/75/76/81/487757681.db2.gz HGSHICLBDIAFGW-SOUVJXGZSA-N 1 0 241.419 3.893 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000679091687 488307872 /nfs/dbraw/zinc/30/78/72/488307872.db2.gz JHEWZEWPXYPKSU-AJNGGQMLSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000679091688 488307744 /nfs/dbraw/zinc/30/77/44/488307744.db2.gz JHEWZEWPXYPKSU-LJISPDSOSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000679091689 488307878 /nfs/dbraw/zinc/30/78/78/488307878.db2.gz JHEWZEWPXYPKSU-XGUBFFRZSA-N 1 0 241.419 3.748 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000679091690 488307800 /nfs/dbraw/zinc/30/78/00/488307800.db2.gz JHEWZEWPXYPKSU-ZQDZILKHSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000679092064 488308310 /nfs/dbraw/zinc/30/83/10/488308310.db2.gz LKYPGKRLKQCLQG-KKUMJFAQSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000679092065 488308223 /nfs/dbraw/zinc/30/82/23/488308223.db2.gz LKYPGKRLKQCLQG-RRFJBIMHSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000679092066 488308343 /nfs/dbraw/zinc/30/83/43/488308343.db2.gz LKYPGKRLKQCLQG-SOUVJXGZSA-N 1 0 241.419 3.748 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000679092067 488308339 /nfs/dbraw/zinc/30/83/39/488308339.db2.gz LKYPGKRLKQCLQG-ZNMIVQPWSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182476 488314750 /nfs/dbraw/zinc/31/47/50/488314750.db2.gz HJYGVAMPMBZLRX-GHMZBOCLSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)C1CCC1 ZINC000679182477 488314971 /nfs/dbraw/zinc/31/49/71/488314971.db2.gz HJYGVAMPMBZLRX-MNOVXSKESA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182479 488314894 /nfs/dbraw/zinc/31/48/94/488314894.db2.gz HJYGVAMPMBZLRX-QWRGUYRKSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182480 488314700 /nfs/dbraw/zinc/31/47/00/488314700.db2.gz HJYGVAMPMBZLRX-WDEREUQCSA-N 1 0 244.338 3.667 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(C)s1 ZINC000679218087 488317827 /nfs/dbraw/zinc/31/78/27/488317827.db2.gz CFCOEOFHZIJAJE-NOZJJQNGSA-N 1 0 241.375 3.545 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c(C)s1 ZINC000679218090 488317873 /nfs/dbraw/zinc/31/78/73/488317873.db2.gz CFCOEOFHZIJAJE-RNCFNFMXSA-N 1 0 241.375 3.545 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c(C)s1 ZINC000679218094 488317850 /nfs/dbraw/zinc/31/78/50/488317850.db2.gz CFCOEOFHZIJAJE-TVQRCGJNSA-N 1 0 241.375 3.545 20 0 BHADRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c(C)s1 ZINC000679218096 488317975 /nfs/dbraw/zinc/31/79/75/488317975.db2.gz CFCOEOFHZIJAJE-ZANVPECISA-N 1 0 241.375 3.545 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000679218911 488318727 /nfs/dbraw/zinc/31/87/27/488318727.db2.gz DXZUFBJOEOBIHT-KCQAQPDRSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679218912 488318514 /nfs/dbraw/zinc/31/85/14/488318514.db2.gz DXZUFBJOEOBIHT-VNHYZAJKSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679218915 488318860 /nfs/dbraw/zinc/31/88/60/488318860.db2.gz DXZUFBJOEOBIHT-YDHLFZDLSA-N 1 0 235.346 3.736 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1F ZINC000679221567 488319892 /nfs/dbraw/zinc/31/98/92/488319892.db2.gz LFLXOBJWTYUNHJ-DAXOMENPSA-N 1 0 247.357 3.744 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1F ZINC000679221570 488320088 /nfs/dbraw/zinc/32/00/88/488320088.db2.gz LFLXOBJWTYUNHJ-KCXAZCMYSA-N 1 0 247.357 3.744 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1F ZINC000679221574 488319813 /nfs/dbraw/zinc/31/98/13/488319813.db2.gz LFLXOBJWTYUNHJ-UHOFOFEASA-N 1 0 247.357 3.744 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1F ZINC000679221578 488319764 /nfs/dbraw/zinc/31/97/64/488319764.db2.gz LFLXOBJWTYUNHJ-WQVCFCJDSA-N 1 0 247.357 3.744 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679224251 488320908 /nfs/dbraw/zinc/32/09/08/488320908.db2.gz MTAOMJULFLPBRD-FMKPAKJESA-N 1 0 249.373 3.688 20 0 BHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679224259 488321176 /nfs/dbraw/zinc/32/11/76/488321176.db2.gz MTAOMJULFLPBRD-IIAWOOMASA-N 1 0 249.373 3.688 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679224260 488321348 /nfs/dbraw/zinc/32/13/48/488321348.db2.gz MTAOMJULFLPBRD-IJEWVQPXSA-N 1 0 249.373 3.688 20 0 BHADRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679224261 488320902 /nfs/dbraw/zinc/32/09/02/488320902.db2.gz MTAOMJULFLPBRD-YCPHGPKFSA-N 1 0 249.373 3.688 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225173 488321896 /nfs/dbraw/zinc/32/18/96/488321896.db2.gz PZOJIWWNFQOKLV-AEGPPILISA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225174 488322050 /nfs/dbraw/zinc/32/20/50/488322050.db2.gz PZOJIWWNFQOKLV-BPLDGKMQSA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225175 488321641 /nfs/dbraw/zinc/32/16/41/488321641.db2.gz PZOJIWWNFQOKLV-NWANDNLSSA-N 1 0 235.346 3.818 20 0 BHADRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225176 488321998 /nfs/dbraw/zinc/32/19/98/488321998.db2.gz PZOJIWWNFQOKLV-VHDGCEQUSA-N 1 0 235.346 3.818 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225955 488321823 /nfs/dbraw/zinc/32/18/23/488321823.db2.gz YTRCXBDUQSXXLL-IPYPFGDCSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225958 488321932 /nfs/dbraw/zinc/32/19/32/488321932.db2.gz YTRCXBDUQSXXLL-KCQAQPDRSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225961 488321702 /nfs/dbraw/zinc/32/17/02/488321702.db2.gz YTRCXBDUQSXXLL-VNHYZAJKSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225962 488321589 /nfs/dbraw/zinc/32/15/89/488321589.db2.gz YTRCXBDUQSXXLL-YDHLFZDLSA-N 1 0 235.346 3.736 20 0 BHADRO Cc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679228463 487790046 /nfs/dbraw/zinc/79/00/46/487790046.db2.gz XPWNASNWUXXKIF-GDBMZVCRSA-N 1 0 249.373 3.608 20 0 BHADRO Cc1ccccc1CCC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679228466 487790105 /nfs/dbraw/zinc/79/01/05/487790105.db2.gz XPWNASNWUXXKIF-GOEBONIOSA-N 1 0 249.373 3.608 20 0 BHADRO Cc1ccccc1CCC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679228468 487790126 /nfs/dbraw/zinc/79/01/26/487790126.db2.gz XPWNASNWUXXKIF-HOCLYGCPSA-N 1 0 249.373 3.608 20 0 BHADRO Cc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679228471 487790069 /nfs/dbraw/zinc/79/00/69/487790069.db2.gz XPWNASNWUXXKIF-ZBFHGGJFSA-N 1 0 249.373 3.608 20 0 BHADRO CCc1cc(N2CC=CCC2)c2ccccc2[nH+]1 ZINC000679279983 488328620 /nfs/dbraw/zinc/32/86/20/488328620.db2.gz OLHJKKMVXZMCNU-UHFFFAOYSA-N 1 0 238.334 3.564 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000679314685 488333904 /nfs/dbraw/zinc/33/39/04/488333904.db2.gz HWRFRJIBXLMOFT-INIZCTEOSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(CCC[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000679314686 488334251 /nfs/dbraw/zinc/33/42/51/488334251.db2.gz HWRFRJIBXLMOFT-MRXNPFEDSA-N 1 0 247.357 3.633 20 0 BHADRO Fc1cccc(CCC[NH+]2CCC3(CC3)CC2)c1 ZINC000679318898 488333549 /nfs/dbraw/zinc/33/35/49/488333549.db2.gz KEFUZEWMBSUGQB-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO COc1ccc(C)cc1C[NH+](C(C)C)C(C)C ZINC000679320626 488335460 /nfs/dbraw/zinc/33/54/60/488335460.db2.gz BOCCWRPECKNHPK-UHFFFAOYSA-N 1 0 235.371 3.622 20 0 BHADRO C[C@H](c1cccc(Cl)c1)[N@H+]1CC=CCC1 ZINC000679321406 488334795 /nfs/dbraw/zinc/33/47/95/488334795.db2.gz BBFCOMKUUSUXML-LLVKDONJSA-N 1 0 221.731 3.663 20 0 BHADRO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC=CCC1 ZINC000679321407 488334437 /nfs/dbraw/zinc/33/44/37/488334437.db2.gz BBFCOMKUUSUXML-NSHDSACASA-N 1 0 221.731 3.663 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000679321884 488335880 /nfs/dbraw/zinc/33/58/80/488335880.db2.gz NBJLJJFNVREGIC-AWEZNQCLSA-N 1 0 219.303 3.539 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000679321885 488335716 /nfs/dbraw/zinc/33/57/16/488335716.db2.gz NBJLJJFNVREGIC-CQSZACIVSA-N 1 0 219.303 3.539 20 0 BHADRO c1sc2ccccc2c1C[N@H+]1CC=CCC1 ZINC000679322344 487901312 /nfs/dbraw/zinc/90/13/12/487901312.db2.gz FYDPSHXCXIMWTH-UHFFFAOYSA-N 1 0 229.348 3.663 20 0 BHADRO Clc1ccc(CCC[N@H+]2CC=CCC2)cc1 ZINC000679322495 490113648 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/nfs/dbraw/zinc/34/73/24/488347324.db2.gz CIXJQTORPMNVGP-WCQYABFASA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000679366018 488347459 /nfs/dbraw/zinc/34/74/59/488347459.db2.gz CIXJQTORPMNVGP-YPMHNXCESA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC000679367161 488347447 /nfs/dbraw/zinc/34/74/47/488347447.db2.gz LZEOGUUXXHVKAN-JBNJFFQFSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC000679367162 488347244 /nfs/dbraw/zinc/34/72/44/488347244.db2.gz LZEOGUUXXHVKAN-KGBIHWOQSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC000679367163 488347340 /nfs/dbraw/zinc/34/73/40/488347340.db2.gz LZEOGUUXXHVKAN-MUAYPFOZSA-N 1 0 229.367 3.868 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC000679367164 487953302 /nfs/dbraw/zinc/95/33/02/487953302.db2.gz LZEOGUUXXHVKAN-RQWJFSOLSA-N 1 0 229.367 3.868 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679391900 487976606 /nfs/dbraw/zinc/97/66/06/487976606.db2.gz ANEJIJYMPOZFKB-HNNXBMFYSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679391902 487976724 /nfs/dbraw/zinc/97/67/24/487976724.db2.gz ANEJIJYMPOZFKB-OAHLLOKOSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000679392404 488349932 /nfs/dbraw/zinc/34/99/32/488349932.db2.gz KSEQYTFTPGIAIC-CHWSQXEVSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000679392405 488349698 /nfs/dbraw/zinc/34/96/98/488349698.db2.gz KSEQYTFTPGIAIC-OLZOCXBDSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000679392406 488349890 /nfs/dbraw/zinc/34/98/90/488349890.db2.gz KSEQYTFTPGIAIC-QWHCGFSZSA-N 1 0 247.382 3.791 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000679392407 488349991 /nfs/dbraw/zinc/34/99/91/488349991.db2.gz KSEQYTFTPGIAIC-STQMWFEESA-N 1 0 247.382 3.791 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccc(O)cc1 ZINC000679392577 488349621 /nfs/dbraw/zinc/34/96/21/488349621.db2.gz BVAYNPNIPCWAEU-UHFFFAOYSA-N 1 0 235.371 3.698 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393255 488349817 /nfs/dbraw/zinc/34/98/17/488349817.db2.gz ULYMXUFJMKUWEW-BBRMVZONSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393256 488350215 /nfs/dbraw/zinc/35/02/15/488350215.db2.gz ULYMXUFJMKUWEW-CJNGLKHVSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393258 488350129 /nfs/dbraw/zinc/35/01/29/488350129.db2.gz ULYMXUFJMKUWEW-CZUORRHYSA-N 1 0 247.382 3.793 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393260 488350181 /nfs/dbraw/zinc/35/01/81/488350181.db2.gz ULYMXUFJMKUWEW-XJKSGUPXSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393321 488350437 /nfs/dbraw/zinc/35/04/37/488350437.db2.gz VZFLUZRGWKTVEE-HNNXBMFYSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393322 487978593 /nfs/dbraw/zinc/97/85/93/487978593.db2.gz VZFLUZRGWKTVEE-OAHLLOKOSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679393381 487978616 /nfs/dbraw/zinc/97/86/16/487978616.db2.gz WZGFXZZIDPOLTQ-HNNXBMFYSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679393388 487978760 /nfs/dbraw/zinc/97/87/60/487978760.db2.gz WZGFXZZIDPOLTQ-OAHLLOKOSA-N 1 0 247.382 3.650 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393926 488350323 /nfs/dbraw/zinc/35/03/23/488350323.db2.gz XXBKSEWSPLAGET-BBRMVZONSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393928 488350240 /nfs/dbraw/zinc/35/02/40/488350240.db2.gz XXBKSEWSPLAGET-CJNGLKHVSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393930 488350395 /nfs/dbraw/zinc/35/03/95/488350395.db2.gz XXBKSEWSPLAGET-CZUORRHYSA-N 1 0 247.382 3.793 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679393932 488350255 /nfs/dbraw/zinc/35/02/55/488350255.db2.gz XXBKSEWSPLAGET-XJKSGUPXSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)CC1(C[NH2+]Cc2ccc(O)cc2)CCC1 ZINC000679394724 488350381 /nfs/dbraw/zinc/35/03/81/488350381.db2.gz ORKJZGXOORIQPW-UHFFFAOYSA-N 1 0 247.382 3.698 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000679395698 488350435 /nfs/dbraw/zinc/35/04/35/488350435.db2.gz VRXDMAQTCZVKBO-GDBMZVCRSA-N 1 0 247.382 3.841 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000679395699 488350374 /nfs/dbraw/zinc/35/03/74/488350374.db2.gz VRXDMAQTCZVKBO-GOEBONIOSA-N 1 0 247.382 3.841 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000679395700 488350295 /nfs/dbraw/zinc/35/02/95/488350295.db2.gz VRXDMAQTCZVKBO-HOCLYGCPSA-N 1 0 247.382 3.841 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000679395701 488350249 /nfs/dbraw/zinc/35/02/49/488350249.db2.gz VRXDMAQTCZVKBO-ZBFHGGJFSA-N 1 0 247.382 3.841 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679396607 488350800 /nfs/dbraw/zinc/35/08/00/488350800.db2.gz UUNWHGXEVWMARC-AWEZNQCLSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679396608 488350732 /nfs/dbraw/zinc/35/07/32/488350732.db2.gz UUNWHGXEVWMARC-CQSZACIVSA-N 1 0 247.382 3.793 20 0 BHADRO CC(C)[N@H+](Cc1ccc(O)cc1)C1CCCCC1 ZINC000679396974 488350783 /nfs/dbraw/zinc/35/07/83/488350783.db2.gz WWRCBLJLPYYKNL-UHFFFAOYSA-N 1 0 247.382 3.935 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(O)cc1 ZINC000679397018 488350769 /nfs/dbraw/zinc/35/07/69/488350769.db2.gz YYQKTFBFEDJHOP-LLVKDONJSA-N 1 0 247.363 3.647 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(O)cc1 ZINC000679397019 488350616 /nfs/dbraw/zinc/35/06/16/488350616.db2.gz YYQKTFBFEDJHOP-NSHDSACASA-N 1 0 247.363 3.647 20 0 BHADRO CC(C)(C[NH2+]Cc1ccc(O)cc1)C1CCCC1 ZINC000679398246 488350719 /nfs/dbraw/zinc/35/07/19/488350719.db2.gz OAZFYEBHWBYLCN-UHFFFAOYSA-N 1 0 247.382 3.698 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000679443351 488351837 /nfs/dbraw/zinc/35/18/37/488351837.db2.gz FSQJGCMIJPREDI-FMKPAKJESA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)c1ccncc1 ZINC000679443352 488351794 /nfs/dbraw/zinc/35/17/94/488351794.db2.gz FSQJGCMIJPREDI-IIAWOOMASA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)c1ccncc1 ZINC000679443353 488351874 /nfs/dbraw/zinc/35/18/74/488351874.db2.gz FSQJGCMIJPREDI-LZWOXQAQSA-N 1 0 246.398 3.744 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)c1ccncc1 ZINC000679443354 488351886 /nfs/dbraw/zinc/35/18/86/488351886.db2.gz FSQJGCMIJPREDI-SQWLQELKSA-N 1 0 246.398 3.744 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1CCCCCC1 ZINC000679464610 488353083 /nfs/dbraw/zinc/35/30/83/488353083.db2.gz ZVDUZYLMYFEABY-HNNXBMFYSA-N 1 0 215.340 3.550 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH+]1CCCCCC1 ZINC000679464611 488353046 /nfs/dbraw/zinc/35/30/46/488353046.db2.gz ZVDUZYLMYFEABY-OAHLLOKOSA-N 1 0 215.340 3.550 20 0 BHADRO C[N@H+](C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000679533564 487587434 /nfs/dbraw/zinc/58/74/34/487587434.db2.gz SYGZPBMGJPVULZ-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO C[N@H+](C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000679533565 487587315 /nfs/dbraw/zinc/58/73/15/487587315.db2.gz SYGZPBMGJPVULZ-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000679533578 488356728 /nfs/dbraw/zinc/35/67/28/488356728.db2.gz UOZJTHSKXJQFCB-DZGCQCFKSA-N 1 0 231.383 3.693 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679533579 488356666 /nfs/dbraw/zinc/35/66/66/488356666.db2.gz UOZJTHSKXJQFCB-HIFRSBDPSA-N 1 0 231.383 3.693 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000679533580 488356859 /nfs/dbraw/zinc/35/68/59/488356859.db2.gz UOZJTHSKXJQFCB-UKRRQHHQSA-N 1 0 231.383 3.693 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679533581 488356893 /nfs/dbraw/zinc/35/68/93/488356893.db2.gz UOZJTHSKXJQFCB-ZFWWWQNUSA-N 1 0 231.383 3.693 20 0 BHADRO COc1ccccc1CCC[N@H+](C)CCC(C)C ZINC000679534092 488356885 /nfs/dbraw/zinc/35/68/85/488356885.db2.gz CHIRUISYKJWIKM-UHFFFAOYSA-N 1 0 249.398 3.606 20 0 BHADRO CC(C)C([NH2+]Cc1c(F)cccc1F)C(C)C ZINC000679536991 488356956 /nfs/dbraw/zinc/35/69/56/488356956.db2.gz TVGFSJDUESTASS-UHFFFAOYSA-N 1 0 241.325 3.735 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679540143 488357350 /nfs/dbraw/zinc/35/73/50/488357350.db2.gz DRMZZVOJEIPWJV-AXFHLTTASA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679540144 488357366 /nfs/dbraw/zinc/35/73/66/488357366.db2.gz DRMZZVOJEIPWJV-DCAQKATOSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679540145 488357497 /nfs/dbraw/zinc/35/74/97/488357497.db2.gz DRMZZVOJEIPWJV-GARJFASQSA-N 1 0 237.309 3.695 20 0 BHADRO CC[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679540146 488356123 /nfs/dbraw/zinc/35/61/23/488356123.db2.gz DRMZZVOJEIPWJV-HBNTYKKESA-N 1 0 237.309 3.695 20 0 BHADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CCCC1 ZINC000679541808 488357505 /nfs/dbraw/zinc/35/75/05/488357505.db2.gz MARDLBDPHSYAJJ-CMPLNLGQSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CCCC1 ZINC000679541809 488357357 /nfs/dbraw/zinc/35/73/57/488357357.db2.gz MARDLBDPHSYAJJ-JQWIXIFHSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CCCC1 ZINC000679541810 488356491 /nfs/dbraw/zinc/35/64/91/488356491.db2.gz MARDLBDPHSYAJJ-PWSUYJOCSA-N 1 0 249.320 3.839 20 0 BHADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CCCC1 ZINC000679541811 488356526 /nfs/dbraw/zinc/35/65/26/488356526.db2.gz MARDLBDPHSYAJJ-ZYHUDNBSSA-N 1 0 249.320 3.839 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542121 488357824 /nfs/dbraw/zinc/35/78/24/488357824.db2.gz NLCUWLJDVOSMGA-GHMZBOCLSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542128 488357725 /nfs/dbraw/zinc/35/77/25/488357725.db2.gz NLCUWLJDVOSMGA-MNOVXSKESA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542129 488357902 /nfs/dbraw/zinc/35/79/02/488357902.db2.gz NLCUWLJDVOSMGA-QWRGUYRKSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)=CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542131 488357870 /nfs/dbraw/zinc/35/78/70/488357870.db2.gz NLCUWLJDVOSMGA-WDEREUQCSA-N 1 0 235.293 3.615 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679547754 488358044 /nfs/dbraw/zinc/35/80/44/488358044.db2.gz QDBXAABUGPJRNQ-GHMZBOCLSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679547755 488358119 /nfs/dbraw/zinc/35/81/19/488358119.db2.gz QDBXAABUGPJRNQ-MNOVXSKESA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679547756 488358012 /nfs/dbraw/zinc/35/80/12/488358012.db2.gz QDBXAABUGPJRNQ-QWRGUYRKSA-N 1 0 237.309 3.695 20 0 BHADRO CC(C)CC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679547757 488358063 /nfs/dbraw/zinc/35/80/63/488358063.db2.gz QDBXAABUGPJRNQ-WDEREUQCSA-N 1 0 237.309 3.695 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679549882 488358016 /nfs/dbraw/zinc/35/80/16/488358016.db2.gz ZCVSZFUAKLSWJC-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679549883 488358002 /nfs/dbraw/zinc/35/80/02/488358002.db2.gz ZCVSZFUAKLSWJC-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679549885 488358054 /nfs/dbraw/zinc/35/80/54/488358054.db2.gz ZCVSZFUAKLSWJC-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCCCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679549886 488358023 /nfs/dbraw/zinc/35/80/23/488358023.db2.gz ZCVSZFUAKLSWJC-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO c1cncc([C@@H]([NH2+]C2CCC2)C2CCCCC2)c1 ZINC000679574136 488358670 /nfs/dbraw/zinc/35/86/70/488358670.db2.gz FNFTWDBFBDHLPB-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1cncc([C@H]([NH2+]C2CCC2)C2CCCCC2)c1 ZINC000679574137 488358782 /nfs/dbraw/zinc/35/87/82/488358782.db2.gz FNFTWDBFBDHLPB-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000679574389 488358639 /nfs/dbraw/zinc/35/86/39/488358639.db2.gz IBBYAQZNJMTQLU-CABCVRRESA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000679574390 488358736 /nfs/dbraw/zinc/35/87/36/488358736.db2.gz IBBYAQZNJMTQLU-GJZGRUSLSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000679574391 488358666 /nfs/dbraw/zinc/35/86/66/488358666.db2.gz IBBYAQZNJMTQLU-HUUCEWRRSA-N 1 0 233.355 3.646 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000679574392 488358708 /nfs/dbraw/zinc/35/87/08/488358708.db2.gz IBBYAQZNJMTQLU-LSDHHAIUSA-N 1 0 233.355 3.646 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCC1)c1ccc(F)cc1F ZINC000679574561 488358672 /nfs/dbraw/zinc/35/86/72/488358672.db2.gz JPQDBUVCBOPFBA-AWEZNQCLSA-N 1 0 239.309 3.804 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCC1)c1ccc(F)cc1F ZINC000679574563 488358849 /nfs/dbraw/zinc/35/88/49/488358849.db2.gz JPQDBUVCBOPFBA-CQSZACIVSA-N 1 0 239.309 3.804 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000679575827 488359067 /nfs/dbraw/zinc/35/90/67/488359067.db2.gz SUQDVMFCFYREGO-AVGNSLFASA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000679575829 488359058 /nfs/dbraw/zinc/35/90/58/488359058.db2.gz SUQDVMFCFYREGO-RWMBFGLXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575831 488358884 /nfs/dbraw/zinc/35/88/84/488358884.db2.gz SUQDVMFCFYREGO-XQQFMLRXSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575834 488359048 /nfs/dbraw/zinc/35/90/48/488359048.db2.gz SUQDVMFCFYREGO-YNEHKIRRSA-N 1 0 243.341 3.733 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C(C(C)C)C(C)C ZINC000679577497 488359036 /nfs/dbraw/zinc/35/90/36/488359036.db2.gz RJKXFBMHCDCWIH-CYBMUJFWSA-N 1 0 248.414 3.975 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C(C(C)C)C(C)C ZINC000679577498 488358920 /nfs/dbraw/zinc/35/89/20/488358920.db2.gz RJKXFBMHCDCWIH-ZDUSSCGKSA-N 1 0 248.414 3.975 20 0 BHADRO CC1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC000679581671 488359139 /nfs/dbraw/zinc/35/91/39/488359139.db2.gz VTULYBFKQWWCNW-UHFFFAOYSA-N 1 0 211.393 3.933 20 0 BHADRO CCc1ccc([C@@H]([NH2+]C2CSC2)C(C)C)cc1 ZINC000679624882 488359963 /nfs/dbraw/zinc/35/99/63/488359963.db2.gz KLQNIFOIOVLZPK-HNNXBMFYSA-N 1 0 249.423 3.651 20 0 BHADRO CCc1ccc([C@H]([NH2+]C2CSC2)C(C)C)cc1 ZINC000679624883 488359868 /nfs/dbraw/zinc/35/98/68/488359868.db2.gz KLQNIFOIOVLZPK-OAHLLOKOSA-N 1 0 249.423 3.651 20 0 BHADRO c1ccc([C@H]([NH2+]C2CSC2)C2CCCC2)cc1 ZINC000679625077 488360122 /nfs/dbraw/zinc/36/01/22/488360122.db2.gz AZOZYHUXOQKDKQ-HNNXBMFYSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CSC2)C2CCCC2)cc1 ZINC000679625078 488360185 /nfs/dbraw/zinc/36/01/85/488360185.db2.gz AZOZYHUXOQKDKQ-OAHLLOKOSA-N 1 0 247.407 3.623 20 0 BHADRO Cc1ccccc1[C@H]([NH2+]C1CSC1)C(C)(C)C ZINC000679627007 487651547 /nfs/dbraw/zinc/65/15/47/487651547.db2.gz CLNMIORSLVTVDF-AWEZNQCLSA-N 1 0 249.423 3.787 20 0 BHADRO Cc1ccccc1[C@@H]([NH2+]C1CSC1)C(C)(C)C ZINC000679627008 487651690 /nfs/dbraw/zinc/65/16/90/487651690.db2.gz CLNMIORSLVTVDF-CQSZACIVSA-N 1 0 249.423 3.787 20 0 BHADRO CC1(C)CC[C@H]([NH2+]C2CSC2)c2ccccc21 ZINC000679627281 488360213 /nfs/dbraw/zinc/36/02/13/488360213.db2.gz KCEJIWIMPQJBEP-AWEZNQCLSA-N 1 0 247.407 3.504 20 0 BHADRO CC1(C)CC[C@@H]([NH2+]C2CSC2)c2ccccc21 ZINC000679627283 488360282 /nfs/dbraw/zinc/36/02/82/488360282.db2.gz KCEJIWIMPQJBEP-CQSZACIVSA-N 1 0 247.407 3.504 20 0 BHADRO Cc1cccc([C@H]([NH2+]C2CSC2)C(C)(C)C)c1 ZINC000679627726 488360196 /nfs/dbraw/zinc/36/01/96/488360196.db2.gz UQXYDIHUBCRYQW-AWEZNQCLSA-N 1 0 249.423 3.787 20 0 BHADRO Cc1cccc([C@@H]([NH2+]C2CSC2)C(C)(C)C)c1 ZINC000679627727 488359948 /nfs/dbraw/zinc/35/99/48/488359948.db2.gz UQXYDIHUBCRYQW-CQSZACIVSA-N 1 0 249.423 3.787 20 0 BHADRO c1ccc([C@H](CC2CCC2)[NH2+]C2CSC2)cc1 ZINC000679630912 488360582 /nfs/dbraw/zinc/36/05/82/488360582.db2.gz VIOLJAMBIRRHCI-HNNXBMFYSA-N 1 0 247.407 3.623 20 0 BHADRO c1ccc([C@@H](CC2CCC2)[NH2+]C2CSC2)cc1 ZINC000679630914 488360663 /nfs/dbraw/zinc/36/06/63/488360663.db2.gz VIOLJAMBIRRHCI-OAHLLOKOSA-N 1 0 247.407 3.623 20 0 BHADRO CCC[N@H+](CCOC(C)C)Cc1ccc(C)cc1 ZINC000679636575 488361204 /nfs/dbraw/zinc/36/12/04/488361204.db2.gz XAUZTLUBLHZPSJ-UHFFFAOYSA-N 1 0 249.398 3.632 20 0 BHADRO CCCCC[N@H+](CC)Cc1cccc(F)c1 ZINC000679642789 488361757 /nfs/dbraw/zinc/36/17/57/488361757.db2.gz CRMXKSWOMYNOAV-UHFFFAOYSA-N 1 0 223.335 3.838 20 0 BHADRO Cc1cc(C)cc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000679642980 488361912 /nfs/dbraw/zinc/36/19/12/488361912.db2.gz GPRYGTVDYIZNAR-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccsc1 ZINC000679652481 487779834 /nfs/dbraw/zinc/77/98/34/487779834.db2.gz GKLWLRVCISOGDH-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000679671041 488363315 /nfs/dbraw/zinc/36/33/15/488363315.db2.gz NZHKTBUQNPUTMS-AWEZNQCLSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000679671042 488363324 /nfs/dbraw/zinc/36/33/24/488363324.db2.gz NZHKTBUQNPUTMS-CQSZACIVSA-N 1 0 247.407 3.783 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000679671189 488363272 /nfs/dbraw/zinc/36/32/72/488363272.db2.gz QFHRHNSMVBWULQ-LLVKDONJSA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000679671190 488363233 /nfs/dbraw/zinc/36/32/33/488363233.db2.gz QFHRHNSMVBWULQ-NSHDSACASA-N 1 0 235.396 3.639 20 0 BHADRO CSc1ccccc1C[NH+]1CCC2(CC2)CC1 ZINC000679671487 488363270 /nfs/dbraw/zinc/36/32/70/488363270.db2.gz KVYGBJSTSMXXRK-UHFFFAOYSA-N 1 0 247.407 3.785 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679684435 488364741 /nfs/dbraw/zinc/36/47/41/488364741.db2.gz SFKHJBZYMYCDAF-LLVKDONJSA-N 1 0 249.345 3.516 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679684436 488364670 /nfs/dbraw/zinc/36/46/70/488364670.db2.gz SFKHJBZYMYCDAF-NSHDSACASA-N 1 0 249.345 3.516 20 0 BHADRO CC[C@H](C)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000679717459 488365296 /nfs/dbraw/zinc/36/52/96/488365296.db2.gz VNNBBIAEWIQOCV-JTQLQIEISA-N 1 0 248.757 3.776 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000679717460 488365136 /nfs/dbraw/zinc/36/51/36/488365136.db2.gz VNNBBIAEWIQOCV-SNVBAGLBSA-N 1 0 248.757 3.776 20 0 BHADRO Clc1ccc2cccnc2c1C[NH2+]C1CCC1 ZINC000679719908 488365141 /nfs/dbraw/zinc/36/51/41/488365141.db2.gz RYNNKJRMEFLOQS-UHFFFAOYSA-N 1 0 246.741 3.530 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000679834178 488367179 /nfs/dbraw/zinc/36/71/79/488367179.db2.gz VGZUBQWPFJWKOL-FMKPAKJESA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000679834179 488367397 /nfs/dbraw/zinc/36/73/97/488367397.db2.gz VGZUBQWPFJWKOL-IIAWOOMASA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000679834180 488367202 /nfs/dbraw/zinc/36/72/02/488367202.db2.gz VGZUBQWPFJWKOL-IJEWVQPXSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000679834181 488367157 /nfs/dbraw/zinc/36/71/57/488367157.db2.gz VGZUBQWPFJWKOL-YCPHGPKFSA-N 1 0 244.382 3.655 20 0 BHADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CSC1 ZINC000679840309 488368192 /nfs/dbraw/zinc/36/81/92/488368192.db2.gz FKGFEGKHNWUOMT-JTQLQIEISA-N 1 0 247.363 3.507 20 0 BHADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CSC1 ZINC000679840314 488368242 /nfs/dbraw/zinc/36/82/42/488368242.db2.gz FKGFEGKHNWUOMT-SNVBAGLBSA-N 1 0 247.363 3.507 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1ccccc1O ZINC000679840463 488367663 /nfs/dbraw/zinc/36/76/63/488367663.db2.gz GTHCATLDWQEFQV-UHFFFAOYSA-N 1 0 249.398 3.741 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCCc1ccccn1 ZINC000679841141 487903157 /nfs/dbraw/zinc/90/31/57/487903157.db2.gz RMYONJAQOSVWRR-UHFFFAOYSA-N 1 0 248.414 3.820 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ncccc1F ZINC000679841144 487903922 /nfs/dbraw/zinc/90/39/22/487903922.db2.gz RUJNNOJAQZPFJU-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@H](C)c1ccncc1 ZINC000679841152 491119408 /nfs/dbraw/zinc/11/94/08/491119408.db2.gz UQOATSJVCHSUTC-AWEZNQCLSA-N 1 0 248.414 3.991 20 0 BHADRO CCC(CC)(CC)C[NH2+]C[C@@H](C)c1ccncc1 ZINC000679841153 491119430 /nfs/dbraw/zinc/11/94/30/491119430.db2.gz UQOATSJVCHSUTC-CQSZACIVSA-N 1 0 248.414 3.991 20 0 BHADRO CO[C@H](C)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000679854277 487473208 /nfs/dbraw/zinc/47/32/08/487473208.db2.gz RDRNZRMANBXXLU-CYBMUJFWSA-N 1 0 249.398 3.670 20 0 BHADRO CO[C@@H](C)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000679854278 487472392 /nfs/dbraw/zinc/47/23/92/487472392.db2.gz RDRNZRMANBXXLU-ZDUSSCGKSA-N 1 0 249.398 3.670 20 0 BHADRO COc1ccc(C)cc1C[N@H+](C)CCC(C)(C)C ZINC000679890908 487481346 /nfs/dbraw/zinc/48/13/46/487481346.db2.gz BQXXWKHWVUQKJZ-UHFFFAOYSA-N 1 0 249.398 3.872 20 0 BHADRO CC(C)CC[N@H+](C)CCCc1ccsc1 ZINC000679924612 487489707 /nfs/dbraw/zinc/48/97/07/487489707.db2.gz PSFVPLOIZXGMFJ-UHFFFAOYSA-N 1 0 225.401 3.659 20 0 BHADRO CC[N@H+](CCCc1ccsc1)Cc1ccoc1 ZINC000679925111 487489371 /nfs/dbraw/zinc/48/93/71/487489371.db2.gz AYAIUHVCHFDFEW-UHFFFAOYSA-N 1 0 249.379 3.796 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCc1ccsc1 ZINC000679925182 487489772 /nfs/dbraw/zinc/48/97/72/487489772.db2.gz YCNBPFVDCDBGMD-CHWSQXEVSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCCc1ccsc1 ZINC000679925188 487489576 /nfs/dbraw/zinc/48/95/76/487489576.db2.gz YCNBPFVDCDBGMD-STQMWFEESA-N 1 0 237.412 3.944 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@H]2C2CC2)cs1 ZINC000679925199 487489356 /nfs/dbraw/zinc/48/93/56/487489356.db2.gz DAINEPZHKAOMIG-AWEZNQCLSA-N 1 0 235.396 3.555 20 0 BHADRO c1cc(CCC[N@@H+]2CCC[C@@H]2C2CC2)cs1 ZINC000679925200 487489490 /nfs/dbraw/zinc/48/94/90/487489490.db2.gz DAINEPZHKAOMIG-CQSZACIVSA-N 1 0 235.396 3.555 20 0 BHADRO CC(C)[NH+](CCCc1ccsc1)C(C)C ZINC000679930129 487493969 /nfs/dbraw/zinc/49/39/69/487493969.db2.gz BWQWXLUTFMHSBX-UHFFFAOYSA-N 1 0 225.401 3.800 20 0 BHADRO c1cc(CCC[NH+]2CCC3(CC3)CC2)cs1 ZINC000679930328 487493557 /nfs/dbraw/zinc/49/35/57/487493557.db2.gz BGSCTSBNXMEIDM-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1cnccc1C ZINC000679943097 487499740 /nfs/dbraw/zinc/49/97/40/487499740.db2.gz SETJTCFQQNMTPV-CYBMUJFWSA-N 1 0 234.387 3.867 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1cnccc1C ZINC000679943099 487500283 /nfs/dbraw/zinc/50/02/83/487500283.db2.gz SETJTCFQQNMTPV-ZDUSSCGKSA-N 1 0 234.387 3.867 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cccc2cnccc21 ZINC000679982245 487508085 /nfs/dbraw/zinc/50/80/85/487508085.db2.gz LEIBVHUOBKKXAT-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cccc2cnccc21 ZINC000679982250 487508061 /nfs/dbraw/zinc/50/80/61/487508061.db2.gz LEIBVHUOBKKXAT-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc2cnccc21 ZINC000679982422 487507876 /nfs/dbraw/zinc/50/78/76/487507876.db2.gz UDUJHUWDJOEBDU-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cccc2cnccc21 ZINC000679982423 487508069 /nfs/dbraw/zinc/50/80/69/487508069.db2.gz UDUJHUWDJOEBDU-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO C[N@H+](Cc1cccc2cnccc21)CC(C)(C)C ZINC000679983906 487508893 /nfs/dbraw/zinc/50/88/93/487508893.db2.gz QYXIQMOBBOZSNT-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000679984678 487508940 /nfs/dbraw/zinc/50/89/40/487508940.db2.gz QCHPLYPVZFIKIY-HNNXBMFYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000679984683 487509030 /nfs/dbraw/zinc/50/90/30/487509030.db2.gz QCHPLYPVZFIKIY-OAHLLOKOSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C1CC1 ZINC000679986017 487509953 /nfs/dbraw/zinc/50/99/53/487509953.db2.gz NPCZJGRUQQWIOY-BXUZGUMPSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H]1C1CC1 ZINC000679986018 487510061 /nfs/dbraw/zinc/51/00/61/487510061.db2.gz NPCZJGRUQQWIOY-FZMZJTMJSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]1C1CC1 ZINC000679986021 487510045 /nfs/dbraw/zinc/51/00/45/487510045.db2.gz NPCZJGRUQQWIOY-RISCZKNCSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C1CC1 ZINC000679986022 487510405 /nfs/dbraw/zinc/51/04/05/487510405.db2.gz NPCZJGRUQQWIOY-SMDDNHRTSA-N 1 0 235.396 3.554 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@H](C)Cc1ccsc1 ZINC000679986078 487508813 /nfs/dbraw/zinc/50/88/13/487508813.db2.gz PBCQRCGHXPTQRT-GFCCVEGCSA-N 1 0 249.379 3.794 20 0 BHADRO CC[N@H+](Cc1ccoc1)[C@@H](C)Cc1ccsc1 ZINC000679986079 487509847 /nfs/dbraw/zinc/50/98/47/487509847.db2.gz PBCQRCGHXPTQRT-LBPRGKRZSA-N 1 0 249.379 3.794 20 0 BHADRO CC[N@H+](Cc1cccc2cnccc21)C1CCC1 ZINC000679990264 487511546 /nfs/dbraw/zinc/51/15/46/487511546.db2.gz TWMNKNUWXDIUEL-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+]C1CC=CC1 ZINC000679991649 487511311 /nfs/dbraw/zinc/51/13/11/487511311.db2.gz DVWCPTVMRJYESH-GFCCVEGCSA-N 1 0 247.407 3.648 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+]C1CC=CC1 ZINC000679991650 487511076 /nfs/dbraw/zinc/51/10/76/487511076.db2.gz DVWCPTVMRJYESH-LBPRGKRZSA-N 1 0 247.407 3.648 20 0 BHADRO CCc1cc(C[NH2+]CC(CC)(CC)CC)on1 ZINC000679992298 487511866 /nfs/dbraw/zinc/51/18/66/487511866.db2.gz CBQCWOKVGVRSLP-UHFFFAOYSA-N 1 0 238.375 3.543 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000679993553 487511288 /nfs/dbraw/zinc/51/12/88/487511288.db2.gz UJJXCHLBLFNSAR-BXUZGUMPSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000679993555 487511526 /nfs/dbraw/zinc/51/15/26/487511526.db2.gz UJJXCHLBLFNSAR-FZMZJTMJSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000679993557 487511352 /nfs/dbraw/zinc/51/13/52/487511352.db2.gz UJJXCHLBLFNSAR-RISCZKNCSA-N 1 0 249.423 3.728 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000679993559 487511890 /nfs/dbraw/zinc/51/18/90/487511890.db2.gz UJJXCHLBLFNSAR-SMDDNHRTSA-N 1 0 249.423 3.728 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]CCCC1CC1 ZINC000679998557 487512041 /nfs/dbraw/zinc/51/20/41/487512041.db2.gz DEAQJLYEZIEGJH-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCC1CC1 ZINC000679998558 487512666 /nfs/dbraw/zinc/51/26/66/487512666.db2.gz DEAQJLYEZIEGJH-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO CCC(CC)(CC)C[NH2+]CCc1ccc(C)nc1 ZINC000679998753 487512202 /nfs/dbraw/zinc/51/22/02/487512202.db2.gz KFSMIPRGJDGTNS-UHFFFAOYSA-N 1 0 248.414 3.739 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC1CC1 ZINC000679998759 487512904 /nfs/dbraw/zinc/51/29/04/487512904.db2.gz KGMPWWZGVIDSNC-KBPBESRZSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)[C@@H](C)c1ccccc1 ZINC000679998764 487512588 /nfs/dbraw/zinc/51/25/88/487512588.db2.gz KGMPWWZGVIDSNC-KGLIPLIRSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)[C@H](C)c1ccccc1 ZINC000679998766 487512655 /nfs/dbraw/zinc/51/26/55/487512655.db2.gz KGMPWWZGVIDSNC-UONOGXRCSA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)[C@@H](C)c1ccccc1 ZINC000679998767 487512813 /nfs/dbraw/zinc/51/28/13/487512813.db2.gz KGMPWWZGVIDSNC-ZIAGYGMSSA-N 1 0 231.383 3.958 20 0 BHADRO CC[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000680011431 487517784 /nfs/dbraw/zinc/51/77/84/487517784.db2.gz ZXEPTQKEECCCLA-GXTWGEPZSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000680011433 487517885 /nfs/dbraw/zinc/51/78/85/487517885.db2.gz ZXEPTQKEECCCLA-JSGCOSHPSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000680011435 487518126 /nfs/dbraw/zinc/51/81/26/487518126.db2.gz ZXEPTQKEECCCLA-OCCSQVGLSA-N 1 0 235.396 3.575 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000680011436 487517857 /nfs/dbraw/zinc/51/78/57/487517857.db2.gz ZXEPTQKEECCCLA-TZMCWYRMSA-N 1 0 235.396 3.575 20 0 BHADRO Cc1[nH+]c2ccccc2c(N2CC=CCC2)c1C ZINC000680061441 487529854 /nfs/dbraw/zinc/52/98/54/487529854.db2.gz ZEKOIMDSROKWPP-UHFFFAOYSA-N 1 0 238.334 3.618 20 0 BHADRO Cc1cc(F)ccc1C[NH+]1CCC2(CC2)CC1 ZINC000680070891 487532421 /nfs/dbraw/zinc/53/24/21/487532421.db2.gz OXLOXOIZNUEMLC-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO Cc1cc(F)ccc1C[NH+](C(C)C)C(C)C ZINC000680075832 487533392 /nfs/dbraw/zinc/53/33/92/487533392.db2.gz XUTVFDWSSBXRAD-UHFFFAOYSA-N 1 0 223.335 3.753 20 0 BHADRO CC(C)[NH+](CCc1cccc(F)c1F)C(C)C ZINC000680075848 487533146 /nfs/dbraw/zinc/53/31/46/487533146.db2.gz YEAVQNTWVSTNCP-UHFFFAOYSA-N 1 0 241.325 3.626 20 0 BHADRO Clc1ccccc1CCC[N@H+]1CC=CCC1 ZINC000680078039 487533938 /nfs/dbraw/zinc/53/39/38/487533938.db2.gz VCHVQUAFKAHCGC-UHFFFAOYSA-N 1 0 235.758 3.535 20 0 BHADRO C[C@H]1C[N@H+](CCCOC(C)(C)C)CC(C)(C)C1 ZINC000680089618 487535116 /nfs/dbraw/zinc/53/51/16/487535116.db2.gz IFSUXFMWHIJVKX-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H]1C[N@H+](CCCOC(C)(C)C)CC(C)(C)C1 ZINC000680089619 487534854 /nfs/dbraw/zinc/53/48/54/487534854.db2.gz IFSUXFMWHIJVKX-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000680090111 487534888 /nfs/dbraw/zinc/53/48/88/487534888.db2.gz AWMQYOOWNBXWCI-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000680090114 487534571 /nfs/dbraw/zinc/53/45/71/487534571.db2.gz AWMQYOOWNBXWCI-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000680090118 487534741 /nfs/dbraw/zinc/53/47/41/487534741.db2.gz AWMQYOOWNBXWCI-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000680090121 487535206 /nfs/dbraw/zinc/53/52/06/487535206.db2.gz AWMQYOOWNBXWCI-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680111607 487536767 /nfs/dbraw/zinc/53/67/67/487536767.db2.gz KBWUSLFZLHKMDG-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)(C)OCCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680111608 487536592 /nfs/dbraw/zinc/53/65/92/487536592.db2.gz KBWUSLFZLHKMDG-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112082 487537130 /nfs/dbraw/zinc/53/71/30/487537130.db2.gz PWUYLULVOPMRSZ-GXTWGEPZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112084 487537490 /nfs/dbraw/zinc/53/74/90/487537490.db2.gz PWUYLULVOPMRSZ-JSGCOSHPSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112086 487537085 /nfs/dbraw/zinc/53/70/85/487537085.db2.gz PWUYLULVOPMRSZ-OCCSQVGLSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112087 487536989 /nfs/dbraw/zinc/53/69/89/487536989.db2.gz PWUYLULVOPMRSZ-TZMCWYRMSA-N 1 0 232.371 3.511 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)o1 ZINC000680136869 487539670 /nfs/dbraw/zinc/53/96/70/487539670.db2.gz GETVPLCPDSAQBJ-UHFFFAOYSA-N 1 0 243.297 3.646 20 0 BHADRO CC1([NH2+]Cc2ccccc2)CCC(F)(F)CC1 ZINC000680136875 487539901 /nfs/dbraw/zinc/53/99/01/487539901.db2.gz JKMUMLLKYKJHHJ-UHFFFAOYSA-N 1 0 239.309 3.744 20 0 BHADRO Cc1ccoc1C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000680138010 487539537 /nfs/dbraw/zinc/53/95/37/487539537.db2.gz ZHJWKHFCUSNRMK-UHFFFAOYSA-N 1 0 243.297 3.646 20 0 BHADRO CC1([NH2+]C[C@@H]2CC=CCC2)CCC(F)(F)CC1 ZINC000680138061 487539309 /nfs/dbraw/zinc/53/93/09/487539309.db2.gz ZODARFNIILLEAW-GFCCVEGCSA-N 1 0 243.341 3.900 20 0 BHADRO CC1([NH2+]C[C@H]2CC=CCC2)CCC(F)(F)CC1 ZINC000680138062 487539855 /nfs/dbraw/zinc/53/98/55/487539855.db2.gz ZODARFNIILLEAW-LBPRGKRZSA-N 1 0 243.341 3.900 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000680333073 487567102 /nfs/dbraw/zinc/56/71/02/487567102.db2.gz UOCFXRVGWZKSGF-FMKPAKJESA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000680333074 488083506 /nfs/dbraw/zinc/08/35/06/488083506.db2.gz UOCFXRVGWZKSGF-IIAWOOMASA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000680333075 488083342 /nfs/dbraw/zinc/08/33/42/488083342.db2.gz UOCFXRVGWZKSGF-LZWOXQAQSA-N 1 0 246.398 3.601 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000680333076 488083381 /nfs/dbraw/zinc/08/33/81/488083381.db2.gz UOCFXRVGWZKSGF-SQWLQELKSA-N 1 0 246.398 3.601 20 0 BHADRO C[C@@H](CCc1cccn1C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000680341955 487569059 /nfs/dbraw/zinc/56/90/59/487569059.db2.gz HKTKNBZIQZJIAS-KBPBESRZSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000680341956 487568988 /nfs/dbraw/zinc/56/89/88/487568988.db2.gz HKTKNBZIQZJIAS-KGLIPLIRSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@@H](CCc1cccn1C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000680341957 488090861 /nfs/dbraw/zinc/09/08/61/488090861.db2.gz HKTKNBZIQZJIAS-UONOGXRCSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](CCc1cccn1C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000680341958 488091049 /nfs/dbraw/zinc/09/10/49/488091049.db2.gz HKTKNBZIQZJIAS-ZIAGYGMSSA-N 1 0 248.414 3.515 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccncc1 ZINC000680342897 487569365 /nfs/dbraw/zinc/56/93/65/487569365.db2.gz MSFPGRSHRRRKPH-CTASWTNQSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccncc1 ZINC000680342898 487569371 /nfs/dbraw/zinc/56/93/71/487569371.db2.gz MSFPGRSHRRRKPH-HOSILWTGSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccncc1 ZINC000680342899 487569025 /nfs/dbraw/zinc/56/90/25/487569025.db2.gz MSFPGRSHRRRKPH-KQTLUZQSSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccncc1 ZINC000680342900 487569066 /nfs/dbraw/zinc/56/90/66/487569066.db2.gz MSFPGRSHRRRKPH-NYTXWWLZSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000680355211 487572053 /nfs/dbraw/zinc/57/20/53/487572053.db2.gz MOWJZGGXJULDAM-LMWSTFAQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000680355212 487572149 /nfs/dbraw/zinc/57/21/49/487572149.db2.gz MOWJZGGXJULDAM-XGNXJENSSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)Cc1ccccc1 ZINC000680369197 487576402 /nfs/dbraw/zinc/57/64/02/487576402.db2.gz BMDLFOCPRMDDER-KBPBESRZSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)Cc1ccccc1 ZINC000680369202 487576408 /nfs/dbraw/zinc/57/64/08/487576408.db2.gz BMDLFOCPRMDDER-KGLIPLIRSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C1CCC1 ZINC000680369204 487574937 /nfs/dbraw/zinc/57/49/37/487574937.db2.gz BMDLFOCPRMDDER-UONOGXRCSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC1)Cc1ccccc1 ZINC000680369205 487575938 /nfs/dbraw/zinc/57/59/38/487575938.db2.gz BMDLFOCPRMDDER-ZIAGYGMSSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000680369855 487576207 /nfs/dbraw/zinc/57/62/07/487576207.db2.gz ZGGMNARLUVTQEB-KBPBESRZSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@@H](C[NH2+]C[C@H](C)C1CC1)Cc1ccccc1 ZINC000680369856 487576038 /nfs/dbraw/zinc/57/60/38/487576038.db2.gz ZGGMNARLUVTQEB-KGLIPLIRSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@H](C[NH2+]C[C@@H](C)C1CC1)Cc1ccccc1 ZINC000680369857 487576509 /nfs/dbraw/zinc/57/65/09/487576509.db2.gz ZGGMNARLUVTQEB-UONOGXRCSA-N 1 0 231.383 3.501 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H](C)C1CC1)Cc1ccccc1 ZINC000680369858 487576496 /nfs/dbraw/zinc/57/64/96/487576496.db2.gz ZGGMNARLUVTQEB-ZIAGYGMSSA-N 1 0 231.383 3.501 20 0 BHADRO CC1CCC(C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000680377706 487579142 /nfs/dbraw/zinc/57/91/42/487579142.db2.gz UYLORAHBPMGBBS-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)[NH+](CCCOCc1ccccc1)C(C)C ZINC000680377847 488150257 /nfs/dbraw/zinc/15/02/57/488150257.db2.gz DXPVFICUODMADP-UHFFFAOYSA-N 1 0 249.398 3.712 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCOC(C)(C)C ZINC000680378581 487578931 /nfs/dbraw/zinc/57/89/31/487578931.db2.gz ZISCUISXNFQOAW-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCOC(C)(C)C ZINC000680378582 487578549 /nfs/dbraw/zinc/57/85/49/487578549.db2.gz ZISCUISXNFQOAW-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCOC(C)(C)C ZINC000680378583 487578719 /nfs/dbraw/zinc/57/87/19/487578719.db2.gz ZISCUISXNFQOAW-WDNDVIMCSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]([NH2+]CCCOC(C)(C)C)C1CCCCC1 ZINC000680379047 487579951 /nfs/dbraw/zinc/57/99/51/487579951.db2.gz UIYAPICRLFDWNR-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]([NH2+]CCCOC(C)(C)C)C1CCCCC1 ZINC000680379049 487570020 /nfs/dbraw/zinc/57/00/20/487570020.db2.gz UIYAPICRLFDWNR-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000680381116 487579924 /nfs/dbraw/zinc/57/99/24/487579924.db2.gz MIEJGVLYTYKNJF-JTQLQIEISA-N 1 0 238.375 3.768 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000680381117 487579866 /nfs/dbraw/zinc/57/98/66/487579866.db2.gz MIEJGVLYTYKNJF-SNVBAGLBSA-N 1 0 238.375 3.768 20 0 BHADRO C/C=C\C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000680386268 487581984 /nfs/dbraw/zinc/58/19/84/487581984.db2.gz SKNOOPUPVNCJPD-FOSCPCJNSA-N 1 0 235.346 3.559 20 0 BHADRO C/C=C/C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000680386269 487581746 /nfs/dbraw/zinc/58/17/46/487581746.db2.gz SKNOOPUPVNCJPD-MBVDDHJVSA-N 1 0 235.346 3.559 20 0 BHADRO C/C=C/C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000680386270 487581366 /nfs/dbraw/zinc/58/13/66/487581366.db2.gz SKNOOPUPVNCJPD-RGDDUWESSA-N 1 0 235.346 3.559 20 0 BHADRO C/C=C\C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000680386271 487581388 /nfs/dbraw/zinc/58/13/88/487581388.db2.gz SKNOOPUPVNCJPD-XVWMLYKFSA-N 1 0 235.346 3.559 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCCOC(C)(C)C ZINC000680434279 487592407 /nfs/dbraw/zinc/59/24/07/487592407.db2.gz NPIPATSTPJCAIC-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCCOC(C)(C)C ZINC000680434280 487593168 /nfs/dbraw/zinc/59/31/68/487593168.db2.gz NPIPATSTPJCAIC-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)C1CC1)c1cccnc1 ZINC000680460446 487598863 /nfs/dbraw/zinc/59/88/63/487598863.db2.gz BMCWTRCBORHBGP-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccnc1 ZINC000680460447 487598514 /nfs/dbraw/zinc/59/85/14/487598514.db2.gz BMCWTRCBORHBGP-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](C)C1CC1)c1cccnc1 ZINC000680460448 487599105 /nfs/dbraw/zinc/59/91/05/487599105.db2.gz BMCWTRCBORHBGP-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)C1CC1)c1cccnc1 ZINC000680460449 487598581 /nfs/dbraw/zinc/59/85/81/487598581.db2.gz BMCWTRCBORHBGP-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccoc1C)c1cccnc1 ZINC000680460933 487598791 /nfs/dbraw/zinc/59/87/91/487598791.db2.gz MYDWBWYZRTXGII-HNNXBMFYSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccoc1C)c1cccnc1 ZINC000680460935 487599111 /nfs/dbraw/zinc/59/91/11/487599111.db2.gz MYDWBWYZRTXGII-OAHLLOKOSA-N 1 0 244.338 3.614 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOC(C)C ZINC000680469343 487601648 /nfs/dbraw/zinc/60/16/48/487601648.db2.gz CZHPNIYEDLWMGV-CABCVRRESA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOC(C)C ZINC000680469344 487601998 /nfs/dbraw/zinc/60/19/98/487601998.db2.gz CZHPNIYEDLWMGV-GJZGRUSLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOC(C)C ZINC000680469346 487602206 /nfs/dbraw/zinc/60/22/06/487602206.db2.gz CZHPNIYEDLWMGV-HUUCEWRRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOC(C)C ZINC000680469348 487601948 /nfs/dbraw/zinc/60/19/48/487601948.db2.gz CZHPNIYEDLWMGV-LSDHHAIUSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000680469669 487601909 /nfs/dbraw/zinc/60/19/09/487601909.db2.gz HQEFQUPXUGCEIV-AWEZNQCLSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000680469670 487601991 /nfs/dbraw/zinc/60/19/91/487601991.db2.gz HQEFQUPXUGCEIV-CQSZACIVSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccncc1 ZINC000680474901 487603077 /nfs/dbraw/zinc/60/30/77/487603077.db2.gz HYNFWMIUDBDCJQ-DSJMHWKBSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000680474902 487602722 /nfs/dbraw/zinc/60/27/22/487602722.db2.gz HYNFWMIUDBDCJQ-HGTKMLMNSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccncc1 ZINC000680474903 487602761 /nfs/dbraw/zinc/60/27/61/487602761.db2.gz HYNFWMIUDBDCJQ-IXYNUQLISA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000680474904 487602736 /nfs/dbraw/zinc/60/27/36/487602736.db2.gz HYNFWMIUDBDCJQ-KNCOVGOOSA-N 1 0 246.398 3.599 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CCCSCC2)c1 ZINC000680475848 487602705 /nfs/dbraw/zinc/60/27/05/487602705.db2.gz ORBWGLJZLQTKBD-UHFFFAOYSA-N 1 0 247.407 3.503 20 0 BHADRO CCC[C@@H](C[NH2+]CCOC(C)C)c1ccccc1 ZINC000680484705 487605585 /nfs/dbraw/zinc/60/55/85/487605585.db2.gz LLPGILQAUDQJNB-INIZCTEOSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](C[NH2+]CCOC(C)C)c1ccccc1 ZINC000680484706 487605436 /nfs/dbraw/zinc/60/54/36/487605436.db2.gz LLPGILQAUDQJNB-MRXNPFEDSA-N 1 0 249.398 3.585 20 0 BHADRO C[C@@H]1CC[N@H+](CCCOC(C)(C)C)CC1(C)C ZINC000680586021 487618266 /nfs/dbraw/zinc/61/82/66/487618266.db2.gz MKLXLGRVRPJAGR-CYBMUJFWSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H]1CC[N@H+](CCCOC(C)(C)C)CC1(C)C ZINC000680586022 487615217 /nfs/dbraw/zinc/61/52/17/487615217.db2.gz MKLXLGRVRPJAGR-ZDUSSCGKSA-N 1 0 241.419 3.560 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000680586779 487619485 /nfs/dbraw/zinc/61/94/85/487619485.db2.gz ZDUBMTMFGLUFFI-CHWSQXEVSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000680586780 487619115 /nfs/dbraw/zinc/61/91/15/487619115.db2.gz ZDUBMTMFGLUFFI-OLZOCXBDSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000680586781 487618998 /nfs/dbraw/zinc/61/89/98/487618998.db2.gz ZDUBMTMFGLUFFI-QWHCGFSZSA-N 1 0 232.371 3.511 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000680586782 487619500 /nfs/dbraw/zinc/61/95/00/487619500.db2.gz ZDUBMTMFGLUFFI-STQMWFEESA-N 1 0 232.371 3.511 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000680634795 487626356 /nfs/dbraw/zinc/62/63/56/487626356.db2.gz RNUFQDSMTOOJOF-CABCVRRESA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000680634796 487626441 /nfs/dbraw/zinc/62/64/41/487626441.db2.gz RNUFQDSMTOOJOF-GJZGRUSLSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[N@H+](CC)C[C@H]1CCOC1 ZINC000680634797 487626190 /nfs/dbraw/zinc/62/61/90/487626190.db2.gz RNUFQDSMTOOJOF-HUUCEWRRSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@H](CC)C[N@H+](CC)C[C@H]1CCOC1 ZINC000680634798 487625673 /nfs/dbraw/zinc/62/56/73/487625673.db2.gz RNUFQDSMTOOJOF-LSDHHAIUSA-N 1 0 241.419 3.561 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000680634830 487625682 /nfs/dbraw/zinc/62/56/82/487625682.db2.gz SWCIZYYCYVFQAB-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000680634831 487626006 /nfs/dbraw/zinc/62/60/06/487626006.db2.gz SWCIZYYCYVFQAB-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000680634838 487626121 /nfs/dbraw/zinc/62/61/21/487626121.db2.gz TXEBCPYEOLFXGJ-NEPJUHHUSA-N 1 0 233.346 3.790 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000680634842 487625730 /nfs/dbraw/zinc/62/57/30/487625730.db2.gz TXEBCPYEOLFXGJ-NWDGAFQWSA-N 1 0 233.346 3.790 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000680634843 487625954 /nfs/dbraw/zinc/62/59/54/487625954.db2.gz TXEBCPYEOLFXGJ-RYUDHWBXSA-N 1 0 233.346 3.790 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000680634845 487625763 /nfs/dbraw/zinc/62/57/63/487625763.db2.gz TXEBCPYEOLFXGJ-VXGBXAGGSA-N 1 0 233.346 3.790 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000680636662 487626597 /nfs/dbraw/zinc/62/65/97/487626597.db2.gz ODNUGWWCKWMARG-CABCVRRESA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000680636663 487625617 /nfs/dbraw/zinc/62/56/17/487625617.db2.gz ODNUGWWCKWMARG-GJZGRUSLSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000680636664 487625888 /nfs/dbraw/zinc/62/58/88/487625888.db2.gz ODNUGWWCKWMARG-HUUCEWRRSA-N 1 0 241.419 3.704 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000680636665 487626528 /nfs/dbraw/zinc/62/65/28/487626528.db2.gz ODNUGWWCKWMARG-LSDHHAIUSA-N 1 0 241.419 3.704 20 0 BHADRO FC(F)[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000680817993 487651175 /nfs/dbraw/zinc/65/11/75/487651175.db2.gz JPSJDCOXBOGRLM-LBPRGKRZSA-N 1 0 231.330 3.686 20 0 BHADRO FC1(F)CC2(C[NH+](CC3CCCCCC3)C2)C1 ZINC000680817994 487651339 /nfs/dbraw/zinc/65/13/39/487651339.db2.gz JQYUSDMFPSFWJB-UHFFFAOYSA-N 1 0 243.341 3.688 20 0 BHADRO FC(F)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000680818327 487651052 /nfs/dbraw/zinc/65/10/52/487651052.db2.gz UUTAFIDTBYLKNA-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO FC(F)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000680818328 487651067 /nfs/dbraw/zinc/65/10/67/487651067.db2.gz UUTAFIDTBYLKNA-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2c[nH]nc2C)CCCCC1 ZINC000680827078 487653096 /nfs/dbraw/zinc/65/30/96/487653096.db2.gz DDUMGRBDTUOWIM-GFCCVEGCSA-N 1 0 249.402 3.729 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2c[nH]nc2C)CCCCC1 ZINC000680827079 487653269 /nfs/dbraw/zinc/65/32/69/487653269.db2.gz DDUMGRBDTUOWIM-LBPRGKRZSA-N 1 0 249.402 3.729 20 0 BHADRO Cc1ccc(C[N@H+](C2CC2)C2CCCCC2)cn1 ZINC000680931547 487673472 /nfs/dbraw/zinc/67/34/72/487673472.db2.gz VBDOCMOFZKAHEH-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)CCc1ccsc1 ZINC000680931801 487673742 /nfs/dbraw/zinc/67/37/42/487673742.db2.gz CTCZZROAHHCMMQ-LLVKDONJSA-N 1 0 249.379 3.760 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)CCc1ccsc1 ZINC000680931802 487673770 /nfs/dbraw/zinc/67/37/70/487673770.db2.gz CTCZZROAHHCMMQ-NSHDSACASA-N 1 0 249.379 3.760 20 0 BHADRO Cc1cc(C)cc(OCC[N@@H+](C)C2CCCC2)c1 ZINC000680941615 487675599 /nfs/dbraw/zinc/67/55/99/487675599.db2.gz SKBHXHVTGJJTJC-UHFFFAOYSA-N 1 0 247.382 3.557 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(Cl)cc1C ZINC000680971605 487685230 /nfs/dbraw/zinc/68/52/30/487685230.db2.gz DTAQLEPTCMQTNB-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO FC(F)(F)C1CCC(C[NH2+]C2CC=CC2)CC1 ZINC000681009514 487695155 /nfs/dbraw/zinc/69/51/55/487695155.db2.gz YHZIZEZXUPGBCC-UHFFFAOYSA-N 1 0 247.304 3.663 20 0 BHADRO CC/C=C\CC[N@H+](C)Cc1ccsc1 ZINC000681019673 487697486 /nfs/dbraw/zinc/69/74/86/487697486.db2.gz ZPZKZOUFKYOUJK-PLNGDYQASA-N 1 0 209.358 3.536 20 0 BHADRO CC/C=C/CC[N@H+](C)Cc1ccsc1 ZINC000681019680 487697556 /nfs/dbraw/zinc/69/75/56/487697556.db2.gz ZPZKZOUFKYOUJK-SNAWJCMRSA-N 1 0 209.358 3.536 20 0 BHADRO CC/C=C\CC[NH+]1C2CCCC1CCC2 ZINC000681020487 487697225 /nfs/dbraw/zinc/69/72/25/487697225.db2.gz CAQZQLKTGOXWAR-ARJAWSKDSA-N 1 0 207.361 3.750 20 0 BHADRO CC/C=C/CC[NH+]1C2CCCC1CCC2 ZINC000681020488 487697156 /nfs/dbraw/zinc/69/71/56/487697156.db2.gz CAQZQLKTGOXWAR-ONEGZZNKSA-N 1 0 207.361 3.750 20 0 BHADRO CC/C=C\CC[N@@H+]1CCCc2sccc2C1 ZINC000681021603 487698718 /nfs/dbraw/zinc/69/87/18/487698718.db2.gz PEROHEDFHZLANR-ARJAWSKDSA-N 1 0 235.396 3.853 20 0 BHADRO CC/C=C/CC[N@@H+]1CCCc2sccc2C1 ZINC000681021604 487699043 /nfs/dbraw/zinc/69/90/43/487699043.db2.gz PEROHEDFHZLANR-ONEGZZNKSA-N 1 0 235.396 3.853 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000681022302 487698818 /nfs/dbraw/zinc/69/88/18/487698818.db2.gz AYJHRQVNDVXFQS-CWDCEQMOSA-N 1 0 245.366 3.885 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000681022303 487698484 /nfs/dbraw/zinc/69/84/84/487698484.db2.gz AYJHRQVNDVXFQS-MJSXRHKHSA-N 1 0 245.366 3.885 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000681022304 487698954 /nfs/dbraw/zinc/69/89/54/487698954.db2.gz AYJHRQVNDVXFQS-QDLOVBKTSA-N 1 0 245.366 3.885 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000681022305 487699141 /nfs/dbraw/zinc/69/91/41/487699141.db2.gz AYJHRQVNDVXFQS-QGZUEGPWSA-N 1 0 245.366 3.885 20 0 BHADRO CC/C=C\CC[NH+]1CCC(c2cccnc2)CC1 ZINC000681023105 487698262 /nfs/dbraw/zinc/69/82/62/487698262.db2.gz DPZPDUWORGUSFI-ARJAWSKDSA-N 1 0 244.382 3.617 20 0 BHADRO CC/C=C/CC[NH+]1CCC(c2cccnc2)CC1 ZINC000681023107 487698196 /nfs/dbraw/zinc/69/81/96/487698196.db2.gz DPZPDUWORGUSFI-ONEGZZNKSA-N 1 0 244.382 3.617 20 0 BHADRO CC/C=C\CC[NH+]1CCC(c2ccccn2)CC1 ZINC000681024356 487699891 /nfs/dbraw/zinc/69/98/91/487699891.db2.gz FYQHKRRVECDJTL-ARJAWSKDSA-N 1 0 244.382 3.617 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000681024795 487699948 /nfs/dbraw/zinc/69/99/48/487699948.db2.gz MQGUXZBGHYOAKB-ABCZVMIZSA-N 1 0 233.330 3.929 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000681024798 487699797 /nfs/dbraw/zinc/69/97/97/487699797.db2.gz MQGUXZBGHYOAKB-BWPKMQGJSA-N 1 0 233.330 3.929 20 0 BHADRO CC/C=C\CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000681024800 487699964 /nfs/dbraw/zinc/69/99/64/487699964.db2.gz MQGUXZBGHYOAKB-JZIMQPMSSA-N 1 0 233.330 3.929 20 0 BHADRO CC/C=C/CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000681024801 487699707 /nfs/dbraw/zinc/69/97/07/487699707.db2.gz MQGUXZBGHYOAKB-NHZBNJEXSA-N 1 0 233.330 3.929 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000681036411 487703341 /nfs/dbraw/zinc/70/33/41/487703341.db2.gz YYYSPZKUALEYQN-CYBMUJFWSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000681036412 487703608 /nfs/dbraw/zinc/70/36/08/487703608.db2.gz YYYSPZKUALEYQN-ZDUSSCGKSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C(C(C)C)C(C)C)c1 ZINC000681053435 487707875 /nfs/dbraw/zinc/70/78/75/487707875.db2.gz SDYBTUVXLLGNDN-CYBMUJFWSA-N 1 0 234.387 3.721 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C(C(C)C)C(C)C)c1 ZINC000681053521 487707688 /nfs/dbraw/zinc/70/76/88/487707688.db2.gz SDYBTUVXLLGNDN-ZDUSSCGKSA-N 1 0 234.387 3.721 20 0 BHADRO CC1CC([NH2+]C2(c3ccc(F)cc3)CCC2)C1 ZINC000681054980 487708036 /nfs/dbraw/zinc/70/80/36/487708036.db2.gz LGAODDBHODXZMB-UHFFFAOYSA-N 1 0 233.330 3.593 20 0 BHADRO CC1CC([NH2+]Cc2ccc(OC(C)(C)C)cc2)C1 ZINC000681055110 487703312 /nfs/dbraw/zinc/70/33/12/487703312.db2.gz TYWPYFUXSFXSAJ-UHFFFAOYSA-N 1 0 247.382 3.752 20 0 BHADRO CCCCOc1ccccc1C[N@H+]1CC=CCC1 ZINC000681081152 487716375 /nfs/dbraw/zinc/71/63/75/487716375.db2.gz BJOFWHRIFZALPQ-UHFFFAOYSA-N 1 0 245.366 3.627 20 0 BHADRO FC(F)(F)C1CCC(C[N@H+]2CC=CCC2)CC1 ZINC000681083327 487717111 /nfs/dbraw/zinc/71/71/11/487717111.db2.gz SVEITPZACKLJOE-UHFFFAOYSA-N 1 0 247.304 3.617 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000681089539 487820787 /nfs/dbraw/zinc/82/07/87/487820787.db2.gz CYZIPIYGMSDNNU-IALDZJHCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000681089541 487821128 /nfs/dbraw/zinc/82/11/28/487821128.db2.gz CYZIPIYGMSDNNU-OKZRHMCRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000681089542 487821118 /nfs/dbraw/zinc/82/11/18/487821118.db2.gz CYZIPIYGMSDNNU-ZFDZMSFRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000681089544 487821122 /nfs/dbraw/zinc/82/11/22/487821122.db2.gz CYZIPIYGMSDNNU-ZSVAQUKISA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681089599 487718692 /nfs/dbraw/zinc/71/86/92/487718692.db2.gz FOJFACKRTYIDIR-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681089609 487718172 /nfs/dbraw/zinc/71/81/72/487718172.db2.gz FOJFACKRTYIDIR-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681089610 487718526 /nfs/dbraw/zinc/71/85/26/487718526.db2.gz FOJFACKRTYIDIR-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681089612 487716922 /nfs/dbraw/zinc/71/69/22/487716922.db2.gz FOJFACKRTYIDIR-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000681107593 487727093 /nfs/dbraw/zinc/72/70/93/487727093.db2.gz XAKIKNRAABNXQO-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000681107601 487727702 /nfs/dbraw/zinc/72/77/02/487727702.db2.gz XAKIKNRAABNXQO-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000681108302 487727964 /nfs/dbraw/zinc/72/79/64/487727964.db2.gz JDHHIBPDUKVSAC-NXEZZACHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000681108303 487728435 /nfs/dbraw/zinc/72/84/35/487728435.db2.gz JDHHIBPDUKVSAC-UWVGGRQHSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000681108304 487839370 /nfs/dbraw/zinc/83/93/70/487839370.db2.gz JDHHIBPDUKVSAC-VHSXEESVSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000681108305 487839255 /nfs/dbraw/zinc/83/92/55/487839255.db2.gz JDHHIBPDUKVSAC-ZJUUUORDSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)c(C)n1 ZINC000681108844 487728281 /nfs/dbraw/zinc/72/82/81/487728281.db2.gz MMXZVTXECUAWKR-AAEUAGOBSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC2CC2)c(C)n1 ZINC000681108845 487728490 /nfs/dbraw/zinc/72/84/90/487728490.db2.gz MMXZVTXECUAWKR-DGCLKSJQSA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)c(C)n1 ZINC000681108846 487728159 /nfs/dbraw/zinc/72/81/59/487728159.db2.gz MMXZVTXECUAWKR-WCQYABFASA-N 1 0 246.398 3.928 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCC2CC2)c(C)n1 ZINC000681108847 487728755 /nfs/dbraw/zinc/72/87/55/487728755.db2.gz MMXZVTXECUAWKR-YPMHNXCESA-N 1 0 246.398 3.928 20 0 BHADRO Fc1ccccc1CC[NH+]1C2CCCC1CCC2 ZINC000681111011 487729403 /nfs/dbraw/zinc/72/94/03/487729403.db2.gz DPWAUOBAJKVYCB-UHFFFAOYSA-N 1 0 247.357 3.775 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000681112573 487730132 /nfs/dbraw/zinc/73/01/32/487730132.db2.gz DUKZZQHHWGEATG-PKSQDBQZSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000681112574 487730996 /nfs/dbraw/zinc/73/09/96/487730996.db2.gz DUKZZQHHWGEATG-QFWMXSHPSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114575 487871844 /nfs/dbraw/zinc/87/18/44/487871844.db2.gz WBWUYUABPWEIOU-CQLXCSJHSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114576 487871695 /nfs/dbraw/zinc/87/16/95/487871695.db2.gz WBWUYUABPWEIOU-GMKTYKIGSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114577 487871756 /nfs/dbraw/zinc/87/17/56/487871756.db2.gz WBWUYUABPWEIOU-IGJPJIBNSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114578 487871743 /nfs/dbraw/zinc/87/17/43/487871743.db2.gz WBWUYUABPWEIOU-QCXCNERSSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681115589 487730730 /nfs/dbraw/zinc/73/07/30/487730730.db2.gz FDUTVLXGSYMIBX-HBIQZDMRSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681115590 487730902 /nfs/dbraw/zinc/73/09/02/487730902.db2.gz FDUTVLXGSYMIBX-WNYYMSAVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681115592 487730880 /nfs/dbraw/zinc/73/08/80/487730880.db2.gz FDUTVLXGSYMIBX-XKGSQUFQSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681115594 487730532 /nfs/dbraw/zinc/73/05/32/487730532.db2.gz FDUTVLXGSYMIBX-YYJSSNLHSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCCCC[C@H]1C ZINC000681116096 487730576 /nfs/dbraw/zinc/73/05/76/487730576.db2.gz HSMUDCBTJJDQGQ-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000681116098 487730510 /nfs/dbraw/zinc/73/05/10/487730510.db2.gz HSMUDCBTJJDQGQ-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000681116099 487730483 /nfs/dbraw/zinc/73/04/83/487730483.db2.gz HSMUDCBTJJDQGQ-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000681116100 487730868 /nfs/dbraw/zinc/73/08/68/487730868.db2.gz HSMUDCBTJJDQGQ-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@@H](C)C2CC2)c1 ZINC000681133443 487735601 /nfs/dbraw/zinc/73/56/01/487735601.db2.gz RPHSOQLNKSGUFX-GFCCVEGCSA-N 1 0 249.423 3.934 20 0 BHADRO CCSc1cccc(C[NH2+]C[C@H](C)C2CC2)c1 ZINC000681133444 487735706 /nfs/dbraw/zinc/73/57/06/487735706.db2.gz RPHSOQLNKSGUFX-LBPRGKRZSA-N 1 0 249.423 3.934 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC=CC1 ZINC000681137681 487737184 /nfs/dbraw/zinc/73/71/84/487737184.db2.gz NXGSIVIDJVZQOF-INIZCTEOSA-N 1 0 241.378 3.989 20 0 BHADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC=CC1 ZINC000681137701 487737085 /nfs/dbraw/zinc/73/70/85/487737085.db2.gz NXGSIVIDJVZQOF-MRXNPFEDSA-N 1 0 241.378 3.989 20 0 BHADRO FC1=CCCN(Cc2ccccc2C2CC2)C1 ZINC000681166319 487739811 /nfs/dbraw/zinc/73/98/11/487739811.db2.gz VRKJTLORYMMLAO-UHFFFAOYSA-N 1 0 231.314 3.623 20 0 BHADRO CCSc1cccc(C[N@H+]2CC=CCC2)c1 ZINC000681166328 487739646 /nfs/dbraw/zinc/73/96/46/487739646.db2.gz VXKJZIYFGXCZMX-UHFFFAOYSA-N 1 0 233.380 3.561 20 0 BHADRO CC(C)[NH+](Cc1ccc2ncccc2c1)C(C)C ZINC000681167307 487740525 /nfs/dbraw/zinc/74/05/25/487740525.db2.gz WDHSBSJSDJEPAL-UHFFFAOYSA-N 1 0 242.366 3.854 20 0 BHADRO Clc1cscc1C[N@@H+]1CCCC2(CC2)C1 ZINC000681167955 487740537 /nfs/dbraw/zinc/74/05/37/487740537.db2.gz DJIZQBHLDATJOD-UHFFFAOYSA-N 1 0 241.787 3.778 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000681167991 487740757 /nfs/dbraw/zinc/74/07/57/487740757.db2.gz OJTLAJGOJAXNRB-UHFFFAOYSA-N 1 0 241.378 3.940 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000681366271 487785811 /nfs/dbraw/zinc/78/58/11/487785811.db2.gz KKGMTXJOABJGIY-DOMZBBRYSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000681366272 487785534 /nfs/dbraw/zinc/78/55/34/487785534.db2.gz KKGMTXJOABJGIY-IUODEOHRSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000681366273 487785740 /nfs/dbraw/zinc/78/57/40/487785740.db2.gz KKGMTXJOABJGIY-SWLSCSKDSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000681366274 487786017 /nfs/dbraw/zinc/78/60/17/487786017.db2.gz KKGMTXJOABJGIY-WFASDCNBSA-N 1 0 233.355 3.670 20 0 BHADRO CCCc1cccc(C[NH2+]Cc2ccoc2C)c1 ZINC000681366352 487785873 /nfs/dbraw/zinc/78/58/73/487785873.db2.gz PQWJKBHLGYECMA-UHFFFAOYSA-N 1 0 243.350 3.830 20 0 BHADRO CC(C)c1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000681367704 487786531 /nfs/dbraw/zinc/78/65/31/487786531.db2.gz KWZDVLREHUWHLF-UHFFFAOYSA-N 1 0 229.323 3.693 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000681373366 487788186 /nfs/dbraw/zinc/78/81/86/487788186.db2.gz GYMUHLFAJCAMGW-AVGNSLFASA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000681373377 487788535 /nfs/dbraw/zinc/78/85/35/487788535.db2.gz GYMUHLFAJCAMGW-RWMBFGLXSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000681373378 487788140 /nfs/dbraw/zinc/78/81/40/487788140.db2.gz GYMUHLFAJCAMGW-XQQFMLRXSA-N 1 0 243.341 3.756 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000681373380 487788407 /nfs/dbraw/zinc/78/84/07/487788407.db2.gz GYMUHLFAJCAMGW-YNEHKIRRSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000681399015 487790834 /nfs/dbraw/zinc/79/08/34/487790834.db2.gz UUUPJNRSAGUDCT-AWEZNQCLSA-N 1 0 243.394 3.930 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000681399016 487791289 /nfs/dbraw/zinc/79/12/89/487791289.db2.gz UUUPJNRSAGUDCT-CQSZACIVSA-N 1 0 243.394 3.930 20 0 BHADRO COC1(C[NH2+][C@H](C)CC2CCC2)CCCCC1 ZINC000681399037 487790856 /nfs/dbraw/zinc/79/08/56/487790856.db2.gz VVZHWHSBACZPIC-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COC1(C[NH2+][C@@H](C)CC2CCC2)CCCCC1 ZINC000681399038 487790832 /nfs/dbraw/zinc/79/08/32/487790832.db2.gz VVZHWHSBACZPIC-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ccc(C[NH+]2C3CCCC2CCC3)c(C)n1 ZINC000681403987 487794319 /nfs/dbraw/zinc/79/43/19/487794319.db2.gz NTFFAAWQDUDKSK-UHFFFAOYSA-N 1 0 244.382 3.605 20 0 BHADRO c1ccc(CCCC[N@H+]2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000681407308 487794971 /nfs/dbraw/zinc/79/49/71/487794971.db2.gz DEXJIOSOQQHFQF-DLBZAZTESA-N 1 0 241.378 3.802 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000681411000 487795821 /nfs/dbraw/zinc/79/58/21/487795821.db2.gz ARTBXIANASYAOC-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000681411001 487795730 /nfs/dbraw/zinc/79/57/30/487795730.db2.gz ARTBXIANASYAOC-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000681411002 487795280 /nfs/dbraw/zinc/79/52/80/487795280.db2.gz ARTBXIANASYAOC-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000681411003 487794925 /nfs/dbraw/zinc/79/49/25/487794925.db2.gz ARTBXIANASYAOC-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H](C)C1 ZINC000681411359 487795219 /nfs/dbraw/zinc/79/52/19/487795219.db2.gz WUGVQCHHACNLIP-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H](C)C1 ZINC000681411360 487794770 /nfs/dbraw/zinc/79/47/70/487794770.db2.gz WUGVQCHHACNLIP-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H](C)C1 ZINC000681411361 487794791 /nfs/dbraw/zinc/79/47/91/487794791.db2.gz WUGVQCHHACNLIP-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H](C)C1 ZINC000681411362 487796503 /nfs/dbraw/zinc/79/65/03/487796503.db2.gz WUGVQCHHACNLIP-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H]1CCCCC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000681411741 487794505 /nfs/dbraw/zinc/79/45/05/487794505.db2.gz KRHDESNAICXDHI-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000681411743 487794292 /nfs/dbraw/zinc/79/42/92/487794292.db2.gz KRHDESNAICXDHI-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@H]1CCCCC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000681411745 487794225 /nfs/dbraw/zinc/79/42/25/487794225.db2.gz KRHDESNAICXDHI-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000681411750 487793718 /nfs/dbraw/zinc/79/37/18/487793718.db2.gz KRHDESNAICXDHI-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000681411801 487797101 /nfs/dbraw/zinc/79/71/01/487797101.db2.gz DHOYIVOETJDGGP-ILXRZTDVSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000681411803 487796563 /nfs/dbraw/zinc/79/65/63/487796563.db2.gz DHOYIVOETJDGGP-KFWWJZLASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000681411804 487796468 /nfs/dbraw/zinc/79/64/68/487796468.db2.gz DHOYIVOETJDGGP-QLFBSQMISA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000681411806 487797050 /nfs/dbraw/zinc/79/70/50/487797050.db2.gz DHOYIVOETJDGGP-RBSFLKMASA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1C ZINC000681412350 487796890 /nfs/dbraw/zinc/79/68/90/487796890.db2.gz NKLMVUREMXSVFM-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1C ZINC000681412351 487796457 /nfs/dbraw/zinc/79/64/57/487796457.db2.gz NKLMVUREMXSVFM-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1C ZINC000681412352 487796557 /nfs/dbraw/zinc/79/65/57/487796557.db2.gz NKLMVUREMXSVFM-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1C ZINC000681412353 487796719 /nfs/dbraw/zinc/79/67/19/487796719.db2.gz NKLMVUREMXSVFM-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCCCC[C@@H]2C)o1 ZINC000681412681 487796814 /nfs/dbraw/zinc/79/68/14/487796814.db2.gz QIQXHYJDPZVZSC-DRZSPHRISA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2C)o1 ZINC000681412682 487795528 /nfs/dbraw/zinc/79/55/28/487795528.db2.gz QIQXHYJDPZVZSC-KGYLQXTDSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2C)o1 ZINC000681412683 487795894 /nfs/dbraw/zinc/79/58/94/487795894.db2.gz QIQXHYJDPZVZSC-WCFLWFBJSA-N 1 0 236.359 3.602 20 0 BHADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCCCC[C@H]2C)o1 ZINC000681412684 487794796 /nfs/dbraw/zinc/79/47/96/487794796.db2.gz QIQXHYJDPZVZSC-WXHSDQCUSA-N 1 0 236.359 3.602 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000681412883 487796692 /nfs/dbraw/zinc/79/66/92/487796692.db2.gz TXZCFPKYUDVTNF-CYBMUJFWSA-N 1 0 241.419 3.750 20 0 BHADRO CC(C)(C)OCCC[NH2+][C@H]1CCCCC1(C)C ZINC000681412884 487796807 /nfs/dbraw/zinc/79/68/07/487796807.db2.gz TXZCFPKYUDVTNF-ZDUSSCGKSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1occc1C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000681487871 488047083 /nfs/dbraw/zinc/04/70/83/488047083.db2.gz BOTVDAYFGLBWGA-CYBMUJFWSA-N 1 0 243.350 3.556 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000681487874 488047110 /nfs/dbraw/zinc/04/71/10/488047110.db2.gz BOTVDAYFGLBWGA-ZDUSSCGKSA-N 1 0 243.350 3.556 20 0 BHADRO Clc1cccc(SCC[NH+]2CCCC2)c1 ZINC000681555694 487815599 /nfs/dbraw/zinc/81/55/99/487815599.db2.gz IAQWWQAXWQZGCA-UHFFFAOYSA-N 1 0 241.787 3.528 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000681640904 487828592 /nfs/dbraw/zinc/82/85/92/487828592.db2.gz IGLTVTTUMSBGBT-LLVKDONJSA-N 1 0 211.374 3.759 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cccs1 ZINC000681640905 487828942 /nfs/dbraw/zinc/82/89/42/487828942.db2.gz IGLTVTTUMSBGBT-NSHDSACASA-N 1 0 211.374 3.759 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000681641506 487829753 /nfs/dbraw/zinc/82/97/53/487829753.db2.gz LQKVVRLJXPXHSJ-CYBMUJFWSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000681641507 487830159 /nfs/dbraw/zinc/83/01/59/487830159.db2.gz LQKVVRLJXPXHSJ-ZDUSSCGKSA-N 1 0 235.371 3.706 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000681645528 487829742 /nfs/dbraw/zinc/82/97/42/487829742.db2.gz XVFMOSAIWCHPBK-LLVKDONJSA-N 1 0 211.374 3.759 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000681645529 487829844 /nfs/dbraw/zinc/82/98/44/487829844.db2.gz XVFMOSAIWCHPBK-NSHDSACASA-N 1 0 211.374 3.759 20 0 BHADRO CCC[N@H+](C)[C@H](C)c1cc(C)c(OC)cc1C ZINC000681659308 487832997 /nfs/dbraw/zinc/83/29/97/487832997.db2.gz ZQTQIWBAWOZGRR-CYBMUJFWSA-N 1 0 235.371 3.715 20 0 BHADRO CCC[N@H+](C)[C@@H](C)c1cc(C)c(OC)cc1C ZINC000681659309 487831277 /nfs/dbraw/zinc/83/12/77/487831277.db2.gz ZQTQIWBAWOZGRR-ZDUSSCGKSA-N 1 0 235.371 3.715 20 0 BHADRO COc1cc(C)c([C@@H](C)[N@H+](C)CC2CC2)cc1C ZINC000681679220 487835726 /nfs/dbraw/zinc/83/57/26/487835726.db2.gz XLEZNSLGTSIZKZ-CYBMUJFWSA-N 1 0 247.382 3.715 20 0 BHADRO COc1cc(C)c([C@H](C)[N@H+](C)CC2CC2)cc1C ZINC000681679221 487835939 /nfs/dbraw/zinc/83/59/39/487835939.db2.gz XLEZNSLGTSIZKZ-ZDUSSCGKSA-N 1 0 247.382 3.715 20 0 BHADRO COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000681684535 487840380 /nfs/dbraw/zinc/84/03/80/487840380.db2.gz OSOVHJIVBPJQFA-BXUZGUMPSA-N 1 0 247.382 3.715 20 0 BHADRO COc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](C)C2)cc1C ZINC000681684537 487840406 /nfs/dbraw/zinc/84/04/06/487840406.db2.gz OSOVHJIVBPJQFA-FZMZJTMJSA-N 1 0 247.382 3.715 20 0 BHADRO COc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000681684539 487840367 /nfs/dbraw/zinc/84/03/67/487840367.db2.gz OSOVHJIVBPJQFA-RISCZKNCSA-N 1 0 247.382 3.715 20 0 BHADRO COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](C)C2)cc1C ZINC000681684540 487840453 /nfs/dbraw/zinc/84/04/53/487840453.db2.gz OSOVHJIVBPJQFA-SMDDNHRTSA-N 1 0 247.382 3.715 20 0 BHADRO CC(C)C1(C)CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000681703801 487843171 /nfs/dbraw/zinc/84/31/71/487843171.db2.gz MMXGGDSEZQQLOW-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C1(C)CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000681703802 487842992 /nfs/dbraw/zinc/84/29/92/487842992.db2.gz MMXGGDSEZQQLOW-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000681712212 487848324 /nfs/dbraw/zinc/84/83/24/487848324.db2.gz QTDBGUSFYYQJKS-GXTWGEPZSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000681712213 487847833 /nfs/dbraw/zinc/84/78/33/487847833.db2.gz QTDBGUSFYYQJKS-JSGCOSHPSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000681712214 487848690 /nfs/dbraw/zinc/84/86/90/487848690.db2.gz QTDBGUSFYYQJKS-OCCSQVGLSA-N 1 0 235.758 3.714 20 0 BHADRO Clc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000681712215 487513836 /nfs/dbraw/zinc/51/38/36/487513836.db2.gz QTDBGUSFYYQJKS-TZMCWYRMSA-N 1 0 235.758 3.714 20 0 BHADRO Fc1cncc(C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000681750443 487853356 /nfs/dbraw/zinc/85/33/56/487853356.db2.gz LGRSSKXMZCIEAW-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CSC1)CC2 ZINC000681754120 487854333 /nfs/dbraw/zinc/85/43/33/487854333.db2.gz CBSVTOGSOGAHRA-HNNXBMFYSA-N 1 0 247.407 3.502 20 0 BHADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CSC1)CC2 ZINC000681754129 487854716 /nfs/dbraw/zinc/85/47/16/487854716.db2.gz CBSVTOGSOGAHRA-OAHLLOKOSA-N 1 0 247.407 3.502 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000681754566 487854430 /nfs/dbraw/zinc/85/44/30/487854430.db2.gz FNLYSFLUAVBSHW-BNOWGMLFSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000681754567 487854585 /nfs/dbraw/zinc/85/45/85/487854585.db2.gz FNLYSFLUAVBSHW-KWCYVHTRSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000681754568 487854989 /nfs/dbraw/zinc/85/49/89/487854989.db2.gz FNLYSFLUAVBSHW-MRVWCRGKSA-N 1 0 235.396 3.554 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000681754569 487854602 /nfs/dbraw/zinc/85/46/02/487854602.db2.gz FNLYSFLUAVBSHW-XBFCOCLRSA-N 1 0 235.396 3.554 20 0 BHADRO Clc1cscc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000681754755 487854860 /nfs/dbraw/zinc/85/48/60/487854860.db2.gz JTTPFPQAJPCXCG-BXKDBHETSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1cscc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000681754756 487854998 /nfs/dbraw/zinc/85/49/98/487854998.db2.gz JTTPFPQAJPCXCG-CABZTGNLSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1cscc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000681754857 487855122 /nfs/dbraw/zinc/85/51/22/487855122.db2.gz JTTPFPQAJPCXCG-JOYOIKCWSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1cscc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000681754858 487854446 /nfs/dbraw/zinc/85/44/46/487854446.db2.gz JTTPFPQAJPCXCG-SKDRFNHKSA-N 1 0 241.787 3.776 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000681754891 487854954 /nfs/dbraw/zinc/85/49/54/487854954.db2.gz KOVSPOGLHFFXDA-PBHICJAKSA-N 1 0 241.378 3.938 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000681754892 487854880 /nfs/dbraw/zinc/85/48/80/487854880.db2.gz KOVSPOGLHFFXDA-RHSMWYFYSA-N 1 0 241.378 3.938 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000681754893 491106625 /nfs/dbraw/zinc/10/66/25/491106625.db2.gz KOVSPOGLHFFXDA-WMLDXEAASA-N 1 0 241.378 3.938 20 0 BHADRO c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000681754894 491106616 /nfs/dbraw/zinc/10/66/16/491106616.db2.gz KOVSPOGLHFFXDA-YOEHRIQHSA-N 1 0 241.378 3.938 20 0 BHADRO CC(C)CCC[N@H+](C)Cc1ccsc1 ZINC000681755377 487856034 /nfs/dbraw/zinc/85/60/34/487856034.db2.gz SMJDVDMTGHBXIM-UHFFFAOYSA-N 1 0 211.374 3.616 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)s1 ZINC000681755869 487855893 /nfs/dbraw/zinc/85/58/93/487855893.db2.gz YXAJAFUJRGUCGI-BXUZGUMPSA-N 1 0 235.396 3.685 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)s1 ZINC000681755871 487856377 /nfs/dbraw/zinc/85/63/77/487856377.db2.gz YXAJAFUJRGUCGI-FZMZJTMJSA-N 1 0 235.396 3.685 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)s1 ZINC000681755873 487855685 /nfs/dbraw/zinc/85/56/85/487855685.db2.gz YXAJAFUJRGUCGI-RISCZKNCSA-N 1 0 235.396 3.685 20 0 BHADRO CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)s1 ZINC000681755874 487538708 /nfs/dbraw/zinc/53/87/08/487538708.db2.gz YXAJAFUJRGUCGI-SMDDNHRTSA-N 1 0 235.396 3.685 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000681973306 487873908 /nfs/dbraw/zinc/87/39/08/487873908.db2.gz RSEJSMJKEVBEQG-COXVUDFISA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000681973307 487874264 /nfs/dbraw/zinc/87/42/64/487874264.db2.gz RSEJSMJKEVBEQG-KBRIMQKVSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000681973308 487874169 /nfs/dbraw/zinc/87/41/69/487874169.db2.gz RSEJSMJKEVBEQG-XOKHGSTOSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000681973309 487874098 /nfs/dbraw/zinc/87/40/98/487874098.db2.gz RSEJSMJKEVBEQG-XYPHTWIQSA-N 1 0 243.394 3.958 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000681983992 487875197 /nfs/dbraw/zinc/87/51/97/487875197.db2.gz VNWBMKDIUNRIHP-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000681983996 487874940 /nfs/dbraw/zinc/87/49/40/487874940.db2.gz VNWBMKDIUNRIHP-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000681983998 487875180 /nfs/dbraw/zinc/87/51/80/487875180.db2.gz VNWBMKDIUNRIHP-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000681983999 487874929 /nfs/dbraw/zinc/87/49/29/487874929.db2.gz VNWBMKDIUNRIHP-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CCCc1ccc(C[NH2+]CC(C)(C)OCC)cc1 ZINC000681984740 487874988 /nfs/dbraw/zinc/87/49/88/487874988.db2.gz CUUYTYCBDRJCMU-UHFFFAOYSA-N 1 0 249.398 3.544 20 0 BHADRO Cc1ccccc1C[NH2+]C(C)(C)CC(F)(F)F ZINC000681987895 487619931 /nfs/dbraw/zinc/61/99/31/487619931.db2.gz BIXSUPDPBORPFQ-UHFFFAOYSA-N 1 0 245.288 3.816 20 0 BHADRO Cc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc1 ZINC000681987927 487876169 /nfs/dbraw/zinc/87/61/69/487876169.db2.gz DLVUJWWTWBKXGJ-UHFFFAOYSA-N 1 0 245.288 3.816 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1cccc(F)c1 ZINC000681989795 487875713 /nfs/dbraw/zinc/87/57/13/487875713.db2.gz SJZYGPJZLPDSBU-UHFFFAOYSA-N 1 0 249.251 3.646 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000681989839 487875563 /nfs/dbraw/zinc/87/55/63/487875563.db2.gz VJVNMLVARCOSIN-UHFFFAOYSA-N 1 0 249.251 3.646 20 0 BHADRO Cc1cccc(C[NH2+]C(C)(C)CC(F)(F)F)c1 ZINC000681990140 487875902 /nfs/dbraw/zinc/87/59/02/487875902.db2.gz XNVPUHYJSYSXEN-UHFFFAOYSA-N 1 0 245.288 3.816 20 0 BHADRO CCc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)o1 ZINC000681990308 487875874 /nfs/dbraw/zinc/87/58/74/487875874.db2.gz ZSWSKKBWQHDHNP-UHFFFAOYSA-N 1 0 249.276 3.663 20 0 BHADRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccccc1F ZINC000681990311 487875842 /nfs/dbraw/zinc/87/58/42/487875842.db2.gz ZVAFVLJHUDTJGL-UHFFFAOYSA-N 1 0 249.251 3.646 20 0 BHADRO CC(C)(CC1CCCCCC1)[NH2+]Cc1cn[nH]c1 ZINC000681992377 487622869 /nfs/dbraw/zinc/62/28/69/487622869.db2.gz ZFWVEZLVQIGGQG-UHFFFAOYSA-N 1 0 249.402 3.638 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000682028315 487882479 /nfs/dbraw/zinc/88/24/79/487882479.db2.gz FDRVJRGCQYGNPD-CYBMUJFWSA-N 1 0 235.371 3.895 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000682028316 487882634 /nfs/dbraw/zinc/88/26/34/487882634.db2.gz FDRVJRGCQYGNPD-ZDUSSCGKSA-N 1 0 235.371 3.895 20 0 BHADRO CC(C)OC1CC[NH+](CCCC(C)(C)C)CC1 ZINC000682028590 487880983 /nfs/dbraw/zinc/88/09/83/487880983.db2.gz WHXYXWFANFODTF-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000682029274 487883228 /nfs/dbraw/zinc/88/32/28/487883228.db2.gz KEWQGWYQXWBYHE-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000682029279 487884118 /nfs/dbraw/zinc/88/41/18/487884118.db2.gz KEWQGWYQXWBYHE-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO C[N@H+](CCCC(C)(C)C)CCOC(C)(C)C ZINC000682029581 487884170 /nfs/dbraw/zinc/88/41/70/487884170.db2.gz SQOKCASYQAQRLE-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CC(C)(C)CCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000682029727 487884040 /nfs/dbraw/zinc/88/40/40/487884040.db2.gz SWRWQCBRGAUUGZ-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000682030031 487883976 /nfs/dbraw/zinc/88/39/76/487883976.db2.gz LSUMEWVVXNXPBY-LLVKDONJSA-N 1 0 249.345 3.516 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000682030032 487883799 /nfs/dbraw/zinc/88/37/99/487883799.db2.gz LSUMEWVVXNXPBY-NSHDSACASA-N 1 0 249.345 3.516 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000682039098 487888394 /nfs/dbraw/zinc/88/83/94/487888394.db2.gz GFMRWYTVQFVZRQ-DZGCQCFKSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000682039099 487888582 /nfs/dbraw/zinc/88/85/82/487888582.db2.gz GFMRWYTVQFVZRQ-HIFRSBDPSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000682039100 487887818 /nfs/dbraw/zinc/88/78/18/487887818.db2.gz GFMRWYTVQFVZRQ-UKRRQHHQSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000682039102 487888363 /nfs/dbraw/zinc/88/83/63/487888363.db2.gz GFMRWYTVQFVZRQ-ZFWWWQNUSA-N 1 0 232.371 3.511 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000682039674 487887993 /nfs/dbraw/zinc/88/79/93/487887993.db2.gz IYNXZWOHXDXPOV-AWEZNQCLSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](CCCOC(C)(C)C)C1 ZINC000682039675 487888060 /nfs/dbraw/zinc/88/80/60/487888060.db2.gz IYNXZWOHXDXPOV-CQSZACIVSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000682069597 487890813 /nfs/dbraw/zinc/89/08/13/487890813.db2.gz GSHDRTVGDWTLKD-CHWSQXEVSA-N 1 0 221.344 3.504 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000682069598 487890804 /nfs/dbraw/zinc/89/08/04/487890804.db2.gz GSHDRTVGDWTLKD-OLZOCXBDSA-N 1 0 221.344 3.504 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000682069599 487982478 /nfs/dbraw/zinc/98/24/78/487982478.db2.gz GSHDRTVGDWTLKD-QWHCGFSZSA-N 1 0 221.344 3.504 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000682069600 487983702 /nfs/dbraw/zinc/98/37/02/487983702.db2.gz GSHDRTVGDWTLKD-STQMWFEESA-N 1 0 221.344 3.504 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000682069868 487983729 /nfs/dbraw/zinc/98/37/29/487983729.db2.gz IWPXAVOHPJNQDD-LLVKDONJSA-N 1 0 223.385 3.685 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000682069869 487983217 /nfs/dbraw/zinc/98/32/17/487983217.db2.gz IWPXAVOHPJNQDD-NSHDSACASA-N 1 0 223.385 3.685 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000682070031 487890878 /nfs/dbraw/zinc/89/08/78/487890878.db2.gz BZROTDCRPAWJOZ-HLLBOEOZSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000682070032 487891078 /nfs/dbraw/zinc/89/10/78/487891078.db2.gz BZROTDCRPAWJOZ-INMHGKMJSA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000682070033 487890797 /nfs/dbraw/zinc/89/07/97/487890797.db2.gz BZROTDCRPAWJOZ-UXLLHSPISA-N 1 0 241.378 3.796 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000682070034 487890186 /nfs/dbraw/zinc/89/01/86/487890186.db2.gz BZROTDCRPAWJOZ-ZOBUZTSGSA-N 1 0 241.378 3.796 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000682070669 487984337 /nfs/dbraw/zinc/98/43/37/487984337.db2.gz DZMAOUJSACUUCI-GFCCVEGCSA-N 1 0 230.355 3.788 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000682070670 487984431 /nfs/dbraw/zinc/98/44/31/487984431.db2.gz DZMAOUJSACUUCI-LBPRGKRZSA-N 1 0 230.355 3.788 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000682071763 487893174 /nfs/dbraw/zinc/89/31/74/487893174.db2.gz IVPOAVDDYJEETG-GFCCVEGCSA-N 1 0 230.355 3.644 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000682071765 487893097 /nfs/dbraw/zinc/89/30/97/487893097.db2.gz IVPOAVDDYJEETG-LBPRGKRZSA-N 1 0 230.355 3.644 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000682071977 487986709 /nfs/dbraw/zinc/98/67/09/487986709.db2.gz LPVYNBYZTVNHQU-DZGCQCFKSA-N 1 0 249.423 3.965 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000682071978 487987194 /nfs/dbraw/zinc/98/71/94/487987194.db2.gz LPVYNBYZTVNHQU-HIFRSBDPSA-N 1 0 249.423 3.965 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000682071979 487987410 /nfs/dbraw/zinc/98/74/10/487987410.db2.gz LPVYNBYZTVNHQU-UKRRQHHQSA-N 1 0 249.423 3.965 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000682072332 487986980 /nfs/dbraw/zinc/98/69/80/487986980.db2.gz LPVYNBYZTVNHQU-ZFWWWQNUSA-N 1 0 249.423 3.965 20 0 BHADRO c1ccc2c(c1)C[NH+]([C@H]1CCc3ccccc31)C2 ZINC000682072348 487895106 /nfs/dbraw/zinc/89/51/06/487895106.db2.gz JDQMCXKTAAFEOG-KRWDZBQOSA-N 1 0 235.330 3.690 20 0 BHADRO c1ccc2c(c1)C[NH+]([C@@H]1CCc3ccccc31)C2 ZINC000682072353 487895188 /nfs/dbraw/zinc/89/51/88/487895188.db2.gz JDQMCXKTAAFEOG-QGZVFWFLSA-N 1 0 235.330 3.690 20 0 BHADRO CC1(C)C[N@@H+]([C@H]2CCc3ccccc32)CCS1 ZINC000682072571 487895215 /nfs/dbraw/zinc/89/52/15/487895215.db2.gz NSKVSQWWVKNWGF-AWEZNQCLSA-N 1 0 247.407 3.501 20 0 BHADRO CC1(C)C[N@@H+]([C@@H]2CCc3ccccc32)CCS1 ZINC000682072573 487895193 /nfs/dbraw/zinc/89/51/93/487895193.db2.gz NSKVSQWWVKNWGF-CQSZACIVSA-N 1 0 247.407 3.501 20 0 BHADRO CC[NH+](CC)[C@H](C)c1cc(C)c(OC)cc1C ZINC000682072910 487894369 /nfs/dbraw/zinc/89/43/69/487894369.db2.gz LQWKBZVBJQBEEC-CYBMUJFWSA-N 1 0 235.371 3.715 20 0 BHADRO CC[NH+](CC)[C@@H](C)c1cc(C)c(OC)cc1C ZINC000682072913 487894991 /nfs/dbraw/zinc/89/49/91/487894991.db2.gz LQWKBZVBJQBEEC-ZDUSSCGKSA-N 1 0 235.371 3.715 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC2(CCC2)C1 ZINC000682074383 487990013 /nfs/dbraw/zinc/99/00/13/487990013.db2.gz SYXBOXJJEQNMCS-HNNXBMFYSA-N 1 0 227.351 3.550 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCC2(CCC2)C1 ZINC000682074384 487989602 /nfs/dbraw/zinc/98/96/02/487989602.db2.gz SYXBOXJJEQNMCS-OAHLLOKOSA-N 1 0 227.351 3.550 20 0 BHADRO CC(C)OCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000682074447 487897654 /nfs/dbraw/zinc/89/76/54/487897654.db2.gz UGZICRMZTAOKLY-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CCS1 ZINC000682074966 487899657 /nfs/dbraw/zinc/89/96/57/487899657.db2.gz WXYXXYBZRLLNEZ-DZGCQCFKSA-N 1 0 247.407 3.501 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)CCS1 ZINC000682074968 487899723 /nfs/dbraw/zinc/89/97/23/487899723.db2.gz WXYXXYBZRLLNEZ-HIFRSBDPSA-N 1 0 247.407 3.501 20 0 BHADRO CC[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CCS1 ZINC000682074970 487899343 /nfs/dbraw/zinc/89/93/43/487899343.db2.gz WXYXXYBZRLLNEZ-UKRRQHHQSA-N 1 0 247.407 3.501 20 0 BHADRO CC[C@H]1C[N@@H+]([C@H]2CCc3ccccc32)CCS1 ZINC000682074974 487898823 /nfs/dbraw/zinc/89/88/23/487898823.db2.gz WXYXXYBZRLLNEZ-ZFWWWQNUSA-N 1 0 247.407 3.501 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCCC2(CC2)C1 ZINC000682075522 487990047 /nfs/dbraw/zinc/99/00/47/487990047.db2.gz YBTCDSNIMQPURR-HNNXBMFYSA-N 1 0 227.351 3.550 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCCC2(CC2)C1 ZINC000682075552 487989514 /nfs/dbraw/zinc/98/95/14/487989514.db2.gz YBTCDSNIMQPURR-OAHLLOKOSA-N 1 0 227.351 3.550 20 0 BHADRO C[C@@H]([N@H+](C)Cc1cc2ccccc2[nH]1)C1(C)CC1 ZINC000682076664 487900718 /nfs/dbraw/zinc/90/07/18/487900718.db2.gz VIZDRLXQQVNUDQ-GFCCVEGCSA-N 1 0 242.366 3.788 20 0 BHADRO C[C@H]([N@H+](C)Cc1cc2ccccc2[nH]1)C1(C)CC1 ZINC000682076665 487901088 /nfs/dbraw/zinc/90/10/88/487901088.db2.gz VIZDRLXQQVNUDQ-LBPRGKRZSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000682076837 487900460 /nfs/dbraw/zinc/90/04/60/487900460.db2.gz MRQAGEGBGIPGLQ-DZGCQCFKSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000682076844 487901043 /nfs/dbraw/zinc/90/10/43/487901043.db2.gz MRQAGEGBGIPGLQ-HIFRSBDPSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000682076845 487990797 /nfs/dbraw/zinc/99/07/97/487990797.db2.gz MRQAGEGBGIPGLQ-UKRRQHHQSA-N 1 0 217.356 3.583 20 0 BHADRO CC[C@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000682076846 487991131 /nfs/dbraw/zinc/99/11/31/487991131.db2.gz MRQAGEGBGIPGLQ-ZFWWWQNUSA-N 1 0 217.356 3.583 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076944 487900545 /nfs/dbraw/zinc/90/05/45/487900545.db2.gz NQTATJDZVSCHHK-GDBMZVCRSA-N 1 0 229.367 3.652 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076946 487900929 /nfs/dbraw/zinc/90/09/29/487900929.db2.gz NQTATJDZVSCHHK-GOEBONIOSA-N 1 0 229.367 3.652 20 0 BHADRO CC(C)[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076947 487900889 /nfs/dbraw/zinc/90/08/89/487900889.db2.gz NQTATJDZVSCHHK-HOCLYGCPSA-N 1 0 229.367 3.652 20 0 BHADRO CC(C)[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076949 487900828 /nfs/dbraw/zinc/90/08/28/487900828.db2.gz NQTATJDZVSCHHK-ZBFHGGJFSA-N 1 0 229.367 3.652 20 0 BHADRO COc1cc(C)c([C@H](C)[NH+]2CCCCC2)cc1C ZINC000682078025 487901786 /nfs/dbraw/zinc/90/17/86/487901786.db2.gz ULPZWZSMIJOIIH-AWEZNQCLSA-N 1 0 247.382 3.859 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH+]2CCCCC2)cc1C ZINC000682078026 487902519 /nfs/dbraw/zinc/90/25/19/487902519.db2.gz ULPZWZSMIJOIIH-CQSZACIVSA-N 1 0 247.382 3.859 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)CCc1ccccn1 ZINC000682078166 487993728 /nfs/dbraw/zinc/99/37/28/487993728.db2.gz VKZBKFIQTVAPHB-CQSZACIVSA-N 1 0 246.398 3.525 20 0 BHADRO COc1cc(C)c([C@H](C)[N@H+]2CC=CCC2)cc1C ZINC000682078526 487903213 /nfs/dbraw/zinc/90/32/13/487903213.db2.gz ZUBHVAQEOSTDHY-AWEZNQCLSA-N 1 0 245.366 3.635 20 0 BHADRO COc1cc(C)c([C@@H](C)[N@H+]2CC=CCC2)cc1C ZINC000682078527 487903578 /nfs/dbraw/zinc/90/35/78/487903578.db2.gz ZUBHVAQEOSTDHY-CQSZACIVSA-N 1 0 245.366 3.635 20 0 BHADRO CCc1ccccc1C[N@H+](C)Cc1ccsc1 ZINC000682082928 487905601 /nfs/dbraw/zinc/90/56/01/487905601.db2.gz FKVASAHUQYHZCV-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO CCc1ccccc1C[N@H+](CC)Cc1ccoc1 ZINC000682082982 487903996 /nfs/dbraw/zinc/90/39/96/487903996.db2.gz GXDJNBRIGYNLCS-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000682083426 487906215 /nfs/dbraw/zinc/90/62/15/487906215.db2.gz UUOOFEIPRXGVOA-INIZCTEOSA-N 1 0 229.367 3.623 20 0 BHADRO CCc1ccccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000682083427 487905658 /nfs/dbraw/zinc/90/56/58/487905658.db2.gz UUOOFEIPRXGVOA-MRXNPFEDSA-N 1 0 229.367 3.623 20 0 BHADRO CCCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000682083767 487906576 /nfs/dbraw/zinc/90/65/76/487906576.db2.gz WQWPYPBUODQUQX-UHFFFAOYSA-N 1 0 229.726 3.711 20 0 BHADRO Cc1ccc(F)cc1C[NH+]1CCC2(CC2)CC1 ZINC000682085663 487905886 /nfs/dbraw/zinc/90/58/86/487905886.db2.gz JZHDNDFYFLRYMD-UHFFFAOYSA-N 1 0 233.330 3.510 20 0 BHADRO CCc1ccccc1C[NH+]1CCC2(CC2)CC1 ZINC000682085664 487905800 /nfs/dbraw/zinc/90/58/00/487905800.db2.gz KHNDZRGKBJAOFL-UHFFFAOYSA-N 1 0 229.367 3.625 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000682086752 487907464 /nfs/dbraw/zinc/90/74/64/487907464.db2.gz PHFOANSXOBWXET-HNNXBMFYSA-N 1 0 246.398 3.949 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000682086753 487907176 /nfs/dbraw/zinc/90/71/76/487907176.db2.gz PHFOANSXOBWXET-OAHLLOKOSA-N 1 0 246.398 3.949 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000682088474 487907201 /nfs/dbraw/zinc/90/72/01/487907201.db2.gz SNFZUCOVQHHFMI-LYOOOYLASA-N 1 0 233.330 3.628 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000682088475 487907297 /nfs/dbraw/zinc/90/72/97/487907297.db2.gz SNFZUCOVQHHFMI-MQQKUOPWSA-N 1 0 233.330 3.628 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000682088476 487907514 /nfs/dbraw/zinc/90/75/14/487907514.db2.gz SNFZUCOVQHHFMI-OKYAQOQYSA-N 1 0 233.330 3.628 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000682088477 487907116 /nfs/dbraw/zinc/90/71/16/487907116.db2.gz SNFZUCOVQHHFMI-SWVJOTTGSA-N 1 0 233.330 3.628 20 0 BHADRO CC[C@H]([NH2+]CCOC)c1cccc2ccccc21 ZINC000682129529 487910723 /nfs/dbraw/zinc/91/07/23/487910723.db2.gz GGINKQZUISVKHI-INIZCTEOSA-N 1 0 243.350 3.527 20 0 BHADRO CC[C@@H]([NH2+]CCOC)c1cccc2ccccc21 ZINC000682129531 487910733 /nfs/dbraw/zinc/91/07/33/487910733.db2.gz GGINKQZUISVKHI-MRXNPFEDSA-N 1 0 243.350 3.527 20 0 BHADRO CC[C@H]([NH2+]Cc1ccoc1C)c1cccc(F)c1 ZINC000682132184 487911969 /nfs/dbraw/zinc/91/19/69/487911969.db2.gz CSKQBPVNHKSJRP-HNNXBMFYSA-N 1 0 247.313 3.968 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccoc1C)c1cccc(F)c1 ZINC000682132185 487911613 /nfs/dbraw/zinc/91/16/13/487911613.db2.gz CSKQBPVNHKSJRP-OAHLLOKOSA-N 1 0 247.313 3.968 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000682132200 487911678 /nfs/dbraw/zinc/91/16/78/487911678.db2.gz DICICEXKBJWMQL-DAXOMENPSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000682132388 487911929 /nfs/dbraw/zinc/91/19/29/487911929.db2.gz DICICEXKBJWMQL-KCXAZCMYSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000682132389 487911796 /nfs/dbraw/zinc/91/17/96/487911796.db2.gz DICICEXKBJWMQL-UHOFOFEASA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000682132395 487911816 /nfs/dbraw/zinc/91/18/16/487911816.db2.gz DICICEXKBJWMQL-WQVCFCJDSA-N 1 0 229.367 3.916 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000682133320 487912095 /nfs/dbraw/zinc/91/20/95/487912095.db2.gz GVZICAMTNUUHTN-DLBZAZTESA-N 1 0 241.378 3.805 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000682133322 487911781 /nfs/dbraw/zinc/91/17/81/487911781.db2.gz GVZICAMTNUUHTN-IAGOWNOFSA-N 1 0 241.378 3.805 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000682133323 487911748 /nfs/dbraw/zinc/91/17/48/487911748.db2.gz GVZICAMTNUUHTN-IRXDYDNUSA-N 1 0 241.378 3.805 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000682133324 487911920 /nfs/dbraw/zinc/91/19/20/487911920.db2.gz GVZICAMTNUUHTN-SJORKVTESA-N 1 0 241.378 3.805 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000682133978 487911791 /nfs/dbraw/zinc/91/17/91/487911791.db2.gz QXVKASUOVZDTFN-DOTOQJQBSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000682133979 487911787 /nfs/dbraw/zinc/91/17/87/487911787.db2.gz QXVKASUOVZDTFN-NVXWUHKLSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000682133981 487996714 /nfs/dbraw/zinc/99/67/14/487996714.db2.gz QXVKASUOVZDTFN-RDJZCZTQSA-N 1 0 241.378 3.706 20 0 BHADRO C1=CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000682133983 487997221 /nfs/dbraw/zinc/99/72/21/487997221.db2.gz QXVKASUOVZDTFN-WBVHZDCISA-N 1 0 241.378 3.706 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000682137889 487911889 /nfs/dbraw/zinc/91/18/89/487911889.db2.gz ANOMNHFQHWTFGV-AVRGHOLYSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000682137890 487911842 /nfs/dbraw/zinc/91/18/42/487911842.db2.gz ANOMNHFQHWTFGV-GUYJKWIASA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000682137891 487912018 /nfs/dbraw/zinc/91/20/18/487912018.db2.gz ANOMNHFQHWTFGV-KNPMLCFXSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000682137892 487911832 /nfs/dbraw/zinc/91/18/32/487911832.db2.gz ANOMNHFQHWTFGV-MPTQWLOMSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2CC(C)(C)C2)c(C)n1 ZINC000682143193 487913364 /nfs/dbraw/zinc/91/33/64/487913364.db2.gz SAANUHJTXJQFMA-GFCCVEGCSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2CC(C)(C)C2)c(C)n1 ZINC000682143194 487913111 /nfs/dbraw/zinc/91/31/11/487913111.db2.gz SAANUHJTXJQFMA-LBPRGKRZSA-N 1 0 246.398 3.785 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000682153138 487915715 /nfs/dbraw/zinc/91/57/15/487915715.db2.gz ZGVZHHHNGDVSKW-INIZCTEOSA-N 1 0 247.382 3.965 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000682153139 487916094 /nfs/dbraw/zinc/91/60/94/487916094.db2.gz ZGVZHHHNGDVSKW-MRXNPFEDSA-N 1 0 247.382 3.965 20 0 BHADRO CC[N@H+](CCCC(C)C)CCC(F)(F)F ZINC000682153821 487915590 /nfs/dbraw/zinc/91/55/90/487915590.db2.gz SIENGTJBOJELKH-UHFFFAOYSA-N 1 0 225.298 3.697 20 0 BHADRO CC[N@H+](CCCC(C)C)Cc1ccoc1 ZINC000682154144 487915568 /nfs/dbraw/zinc/91/55/68/487915568.db2.gz VNBDYIQMVXJVBO-UHFFFAOYSA-N 1 0 209.333 3.538 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000682154145 487915739 /nfs/dbraw/zinc/91/57/39/487915739.db2.gz VOSANEIOBAWDLD-BLLLJJGKSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000682154146 487915389 /nfs/dbraw/zinc/91/53/89/487915389.db2.gz VOSANEIOBAWDLD-LRDDRELGSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000682154147 487916168 /nfs/dbraw/zinc/91/61/68/487916168.db2.gz VOSANEIOBAWDLD-MLGOLLRUSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000682154148 487997868 /nfs/dbraw/zinc/99/78/68/487997868.db2.gz VOSANEIOBAWDLD-WBMJQRKESA-N 1 0 247.357 3.804 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000682154571 487916176 /nfs/dbraw/zinc/91/61/76/487916176.db2.gz HLVYTHFHNPWVKF-CYBMUJFWSA-N 1 0 221.344 3.505 20 0 BHADRO CC(C)CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000682154572 487916106 /nfs/dbraw/zinc/91/61/06/487916106.db2.gz HLVYTHFHNPWVKF-ZDUSSCGKSA-N 1 0 221.344 3.505 20 0 BHADRO Cc1cc(C[NH+](C)C)cc(NCCCC(C)C)c1 ZINC000682156846 487918162 /nfs/dbraw/zinc/91/81/62/487918162.db2.gz XHBFZLVEQABNFM-UHFFFAOYSA-N 1 0 248.414 3.905 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCS[C@H]1C)c1ccccc1 ZINC000682157870 487918281 /nfs/dbraw/zinc/91/82/81/487918281.db2.gz SUMZHOHGHHKBOF-GUTXKFCHSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCS[C@H]1C)c1ccccc1 ZINC000682157871 487918211 /nfs/dbraw/zinc/91/82/11/487918211.db2.gz SUMZHOHGHHKBOF-GZBFAFLISA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CCS[C@@H]1C)c1ccccc1 ZINC000682157872 487918263 /nfs/dbraw/zinc/91/82/63/487918263.db2.gz SUMZHOHGHHKBOF-NFAWXSAZSA-N 1 0 249.423 3.664 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1 ZINC000682157873 487918328 /nfs/dbraw/zinc/91/83/28/487918328.db2.gz SUMZHOHGHHKBOF-UMVBOHGHSA-N 1 0 249.423 3.664 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCS[C@H]2C)cc1 ZINC000682158669 487998931 /nfs/dbraw/zinc/99/89/31/487998931.db2.gz ADYCVVLQOAAYKH-IPYPFGDCSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CCS[C@@H]2C)cc1 ZINC000682158673 487998799 /nfs/dbraw/zinc/99/87/99/487998799.db2.gz ADYCVVLQOAAYKH-NFAWXSAZSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCS[C@@H]2C)cc1 ZINC000682158682 487998902 /nfs/dbraw/zinc/99/89/02/487998902.db2.gz ADYCVVLQOAAYKH-UMVBOHGHSA-N 1 0 249.423 3.582 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCS[C@H]2C)cc1 ZINC000682158683 487998731 /nfs/dbraw/zinc/99/87/31/487998731.db2.gz ADYCVVLQOAAYKH-VNHYZAJKSA-N 1 0 249.423 3.582 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000682159017 487998700 /nfs/dbraw/zinc/99/87/00/487998700.db2.gz URGPUMJWORVAAQ-UHFFFAOYSA-N 1 0 230.355 3.694 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1C ZINC000682159034 487918008 /nfs/dbraw/zinc/91/80/08/487918008.db2.gz KZCQLTFNQPAFAI-GUTXKFCHSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1C ZINC000682159042 487918480 /nfs/dbraw/zinc/91/84/80/487918480.db2.gz KZCQLTFNQPAFAI-GZBFAFLISA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1C ZINC000682159046 487918192 /nfs/dbraw/zinc/91/81/92/487918192.db2.gz KZCQLTFNQPAFAI-KCQAQPDRSA-N 1 0 249.423 3.848 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1C ZINC000682159048 487919450 /nfs/dbraw/zinc/91/94/50/487919450.db2.gz KZCQLTFNQPAFAI-YDHLFZDLSA-N 1 0 249.423 3.848 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000682161390 487919117 /nfs/dbraw/zinc/91/91/17/487919117.db2.gz UCIREQPDRHMTEI-PWNZVWSESA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000682161391 487919405 /nfs/dbraw/zinc/91/94/05/487919405.db2.gz UCIREQPDRHMTEI-QVHKTLOISA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000682161392 487998581 /nfs/dbraw/zinc/99/85/81/487998581.db2.gz UCIREQPDRHMTEI-RMRHIDDWSA-N 1 0 249.423 3.662 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H](C)c1ccccc1 ZINC000682161393 487998672 /nfs/dbraw/zinc/99/86/72/487998672.db2.gz UCIREQPDRHMTEI-UKTARXLSSA-N 1 0 249.423 3.662 20 0 BHADRO CC(C)CCC[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000682161774 487919197 /nfs/dbraw/zinc/91/91/97/487919197.db2.gz KPOJAWUJMOAKOW-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000682161775 487910937 /nfs/dbraw/zinc/91/09/37/487910937.db2.gz KPOJAWUJMOAKOW-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)CC[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000682161863 487910563 /nfs/dbraw/zinc/91/05/63/487910563.db2.gz PDCZSZRHWKQFJV-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)CC[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000682161864 487910778 /nfs/dbraw/zinc/91/07/78/487910778.db2.gz PDCZSZRHWKQFJV-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)CCC[NH2+]C1CCC(OC(C)C)CC1 ZINC000682162021 487919138 /nfs/dbraw/zinc/91/91/38/487919138.db2.gz UYCNYVHXSHDLFQ-UHFFFAOYSA-N 1 0 241.419 3.748 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CC=CCC2)C1 ZINC000682164380 487921580 /nfs/dbraw/zinc/92/15/80/487921580.db2.gz LMXOALSFTZQIED-DLBZAZTESA-N 1 0 241.378 3.759 20 0 BHADRO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CC=CCC2)C1 ZINC000682164381 487921542 /nfs/dbraw/zinc/92/15/42/487921542.db2.gz LMXOALSFTZQIED-IAGOWNOFSA-N 1 0 241.378 3.759 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC=CCC2)C1 ZINC000682164383 487921683 /nfs/dbraw/zinc/92/16/83/487921683.db2.gz LMXOALSFTZQIED-IRXDYDNUSA-N 1 0 241.378 3.759 20 0 BHADRO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC=CCC2)C1 ZINC000682164385 487921469 /nfs/dbraw/zinc/92/14/69/487921469.db2.gz LMXOALSFTZQIED-SJORKVTESA-N 1 0 241.378 3.759 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000682164399 487921781 /nfs/dbraw/zinc/92/17/81/487921781.db2.gz OXGANLVBGGIOPA-DOMZBBRYSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000682164401 487921714 /nfs/dbraw/zinc/92/17/14/487921714.db2.gz OXGANLVBGGIOPA-IUODEOHRSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000682164402 487921340 /nfs/dbraw/zinc/92/13/40/487921340.db2.gz OXGANLVBGGIOPA-SWLSCSKDSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000682164403 487921319 /nfs/dbraw/zinc/92/13/19/487921319.db2.gz OXGANLVBGGIOPA-WFASDCNBSA-N 1 0 249.423 3.794 20 0 BHADRO C[C@H](C[N@H+]1CC=CCC1)c1cccc(Cl)c1 ZINC000682164711 487921483 /nfs/dbraw/zinc/92/14/83/487921483.db2.gz UXTRONKUYPTXKS-GFCCVEGCSA-N 1 0 235.758 3.705 20 0 BHADRO C[C@@H](C[N@H+]1CC=CCC1)c1cccc(Cl)c1 ZINC000682164712 487921758 /nfs/dbraw/zinc/92/17/58/487921758.db2.gz UXTRONKUYPTXKS-LBPRGKRZSA-N 1 0 235.758 3.705 20 0 BHADRO Cc1cncc(C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000682366840 487941348 /nfs/dbraw/zinc/94/13/48/487941348.db2.gz SRMZLDUIHNDDPU-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000682377253 487943632 /nfs/dbraw/zinc/94/36/32/487943632.db2.gz MPRXGRYDPKSWBI-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000682377255 487943939 /nfs/dbraw/zinc/94/39/39/487943939.db2.gz MPRXGRYDPKSWBI-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000682377256 487943461 /nfs/dbraw/zinc/94/34/61/487943461.db2.gz MPRXGRYDPKSWBI-IJEWVQPXSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000682377258 487943853 /nfs/dbraw/zinc/94/38/53/487943853.db2.gz MPRXGRYDPKSWBI-YCPHGPKFSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)CCCCO)CC(C)(C)C ZINC000682377404 487944083 /nfs/dbraw/zinc/94/40/83/487944083.db2.gz OXDAIMVRFXVQST-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)CCCCO)CC(C)(C)C ZINC000682377405 487943436 /nfs/dbraw/zinc/94/34/36/487943436.db2.gz OXDAIMVRFXVQST-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)CCCCO)CC(C)(C)C ZINC000682377406 487943980 /nfs/dbraw/zinc/94/39/80/487943980.db2.gz OXDAIMVRFXVQST-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO C[C@H](CCCCO)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000682377407 487944055 /nfs/dbraw/zinc/94/40/55/487944055.db2.gz OXDAIMVRFXVQST-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO Oc1ccc(C[N@@H+]2CCCC23CCCCC3)cc1 ZINC000682404754 487947831 /nfs/dbraw/zinc/94/78/31/487947831.db2.gz KIFPRADSBWWLDP-UHFFFAOYSA-N 1 0 245.366 3.691 20 0 BHADRO CCC(CC)[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000682404907 487948363 /nfs/dbraw/zinc/94/83/63/487948363.db2.gz DLJUPFHKOXRRNM-UHFFFAOYSA-N 1 0 233.355 3.545 20 0 BHADRO CC(C)(C)C1=CC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000682404947 487948338 /nfs/dbraw/zinc/94/83/38/487948338.db2.gz NOXOGFVIFBWEGL-UHFFFAOYSA-N 1 0 245.366 3.570 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(O)cc1 ZINC000682405658 488020705 /nfs/dbraw/zinc/02/07/05/488020705.db2.gz XIVKJDXJESFAEM-INWMFGNUSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(O)cc1 ZINC000682405659 488021038 /nfs/dbraw/zinc/02/10/38/488021038.db2.gz XIVKJDXJESFAEM-IVMMDQJWSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(O)cc1 ZINC000682405660 488020678 /nfs/dbraw/zinc/02/06/78/488020678.db2.gz XIVKJDXJESFAEM-XNRPHZJLSA-N 1 0 245.366 3.545 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(O)cc1 ZINC000682405661 488021046 /nfs/dbraw/zinc/02/10/46/488021046.db2.gz XIVKJDXJESFAEM-XPKDYRNWSA-N 1 0 245.366 3.545 20 0 BHADRO Oc1ccc(C[NH2+]CCC2=CCCCCC2)cc1 ZINC000682406033 487948824 /nfs/dbraw/zinc/94/88/24/487948824.db2.gz HRIWSFMCBDJYMI-UHFFFAOYSA-N 1 0 245.366 3.762 20 0 BHADRO CC(C)C1(C)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682406110 487947784 /nfs/dbraw/zinc/94/77/84/487947784.db2.gz MMVPYVGEAJIXQP-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO c1cc(C[NH2+]C2CCC3(CCCCC3)CC2)no1 ZINC000682420002 487954482 /nfs/dbraw/zinc/95/44/82/487954482.db2.gz LDZITJUFQQKENZ-UHFFFAOYSA-N 1 0 248.370 3.657 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000682436297 487962600 /nfs/dbraw/zinc/96/26/00/487962600.db2.gz DWIOOAAHZSQUJD-GFCCVEGCSA-N 1 0 242.366 3.836 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000682436298 487962393 /nfs/dbraw/zinc/96/23/93/487962393.db2.gz DWIOOAAHZSQUJD-LBPRGKRZSA-N 1 0 242.366 3.836 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000682439155 487965382 /nfs/dbraw/zinc/96/53/82/487965382.db2.gz NGPXNUNSXMPLAT-GDBMZVCRSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000682439156 487964596 /nfs/dbraw/zinc/96/45/96/487964596.db2.gz NGPXNUNSXMPLAT-GOEBONIOSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000682439157 487965180 /nfs/dbraw/zinc/96/51/80/487965180.db2.gz NGPXNUNSXMPLAT-HOCLYGCPSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000682439160 487964827 /nfs/dbraw/zinc/96/48/27/487964827.db2.gz NGPXNUNSXMPLAT-ZBFHGGJFSA-N 1 0 247.382 3.639 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000682492550 487971106 /nfs/dbraw/zinc/97/11/06/487971106.db2.gz LTXXXLKVQAXVBJ-NEPJUHHUSA-N 1 0 237.391 3.612 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000682492551 487971102 /nfs/dbraw/zinc/97/11/02/487971102.db2.gz LTXXXLKVQAXVBJ-NWDGAFQWSA-N 1 0 237.391 3.612 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000682492552 487970892 /nfs/dbraw/zinc/97/08/92/487970892.db2.gz LTXXXLKVQAXVBJ-RYUDHWBXSA-N 1 0 237.391 3.612 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000682492553 487971128 /nfs/dbraw/zinc/97/11/28/487971128.db2.gz LTXXXLKVQAXVBJ-VXGBXAGGSA-N 1 0 237.391 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H](C)C2CCC2)cnn1C(C)C ZINC000682495579 487971003 /nfs/dbraw/zinc/97/10/03/487971003.db2.gz SLSUSFODYGXMDA-NEPJUHHUSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2CCC2)cnn1C(C)C ZINC000682495581 487971099 /nfs/dbraw/zinc/97/10/99/487971099.db2.gz SLSUSFODYGXMDA-NWDGAFQWSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H](C)C2CCC2)cnn1C(C)C ZINC000682495582 487971135 /nfs/dbraw/zinc/97/11/35/487971135.db2.gz SLSUSFODYGXMDA-RYUDHWBXSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@H](C)C2CCC2)cnn1C(C)C ZINC000682495583 487970577 /nfs/dbraw/zinc/97/05/77/487970577.db2.gz SLSUSFODYGXMDA-VXGBXAGGSA-N 1 0 249.402 3.612 20 0 BHADRO CCc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000682517255 487975129 /nfs/dbraw/zinc/97/51/29/487975129.db2.gz UQMAFDMEFOIXNA-UHFFFAOYSA-N 1 0 245.391 3.943 20 0 BHADRO COC(C)(C)CC[N@H+](C1CC1)C1CCCCC1 ZINC000682517792 487975216 /nfs/dbraw/zinc/97/52/16/487975216.db2.gz JRNYINAMVPBUCZ-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO CCc1cccc(C[N@H+](CC)Cc2ccoc2)c1 ZINC000682522095 488092069 /nfs/dbraw/zinc/09/20/69/488092069.db2.gz DVEFXPVSKQAFTI-UHFFFAOYSA-N 1 0 243.350 3.864 20 0 BHADRO CCc1cccc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000682533170 487979621 /nfs/dbraw/zinc/97/96/21/487979621.db2.gz WKWDGSPNUICFTH-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1cccc(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000682533171 488096343 /nfs/dbraw/zinc/09/63/43/488096343.db2.gz WKWDGSPNUICFTH-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1cccc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000682534745 487980043 /nfs/dbraw/zinc/98/00/43/487980043.db2.gz XKICTBWCGNLYJT-GFCCVEGCSA-N 1 0 229.323 3.693 20 0 BHADRO CCc1cccc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000682534746 487980030 /nfs/dbraw/zinc/98/00/30/487980030.db2.gz XKICTBWCGNLYJT-LBPRGKRZSA-N 1 0 229.323 3.693 20 0 BHADRO CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CCCC1 ZINC000682548935 488118013 /nfs/dbraw/zinc/11/80/13/488118013.db2.gz AEFIWZVKBWWXOT-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CC[N@@H+](Cc1ccc2[nH]ccc2c1)CC(C)C ZINC000682549140 487987973 /nfs/dbraw/zinc/98/79/73/487987973.db2.gz JFUUQQZQPKRCMG-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000682549215 487987528 /nfs/dbraw/zinc/98/75/28/487987528.db2.gz OKNUHMSYRMZGFG-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc2[nH]ccc2c1 ZINC000682549224 487988106 /nfs/dbraw/zinc/98/81/06/487988106.db2.gz OZKRHPDOOSIIPR-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC[N@@H+](Cc1ccc2[nH]ccc2c1)CC1CCC1 ZINC000682549375 487988117 /nfs/dbraw/zinc/98/81/17/487988117.db2.gz UCXGWGZXGQUCIL-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)C1CCC(F)(F)CC1 ZINC000682731557 488027587 /nfs/dbraw/zinc/02/75/87/488027587.db2.gz FDCDCHUBRHVEEF-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000682731558 488027376 /nfs/dbraw/zinc/02/73/76/488027376.db2.gz FDCDCHUBRHVEEF-MNOVXSKESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000682731559 488027447 /nfs/dbraw/zinc/02/74/47/488027447.db2.gz FDCDCHUBRHVEEF-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000682731560 488027510 /nfs/dbraw/zinc/02/75/10/488027510.db2.gz FDCDCHUBRHVEEF-WDEREUQCSA-N 1 0 245.357 3.836 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000682731703 488027250 /nfs/dbraw/zinc/02/72/50/488027250.db2.gz GUTGRWMNCJAILM-GWCFXTLKSA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000682731704 488027785 /nfs/dbraw/zinc/02/77/85/488027785.db2.gz GUTGRWMNCJAILM-GXFFZTMASA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000682731705 487544005 /nfs/dbraw/zinc/54/40/05/487544005.db2.gz GUTGRWMNCJAILM-MFKMUULPSA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000682731706 487543811 /nfs/dbraw/zinc/54/38/11/487543811.db2.gz GUTGRWMNCJAILM-ZWNOBZJWSA-N 1 0 248.370 3.665 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C1CCC1 ZINC000682731831 488027288 /nfs/dbraw/zinc/02/72/88/488027288.db2.gz BSKCRILRBZJBRQ-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CCC1 ZINC000682731832 488027668 /nfs/dbraw/zinc/02/76/68/488027668.db2.gz BSKCRILRBZJBRQ-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CCC1 ZINC000682731833 488027794 /nfs/dbraw/zinc/02/77/94/488027794.db2.gz BSKCRILRBZJBRQ-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C1CCC(F)(F)CC1 ZINC000682731834 488022254 /nfs/dbraw/zinc/02/22/54/488022254.db2.gz BSKCRILRBZJBRQ-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000682732214 488027773 /nfs/dbraw/zinc/02/77/73/488027773.db2.gz BIHZFIIXXVXFJQ-CVEARBPZSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000682732215 488027257 /nfs/dbraw/zinc/02/72/57/488027257.db2.gz BIHZFIIXXVXFJQ-HOTGVXAUSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000682732216 488027231 /nfs/dbraw/zinc/02/72/31/488027231.db2.gz BIHZFIIXXVXFJQ-HZPDHXFCSA-N 1 0 241.378 3.986 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000682732217 488027647 /nfs/dbraw/zinc/02/76/47/488027647.db2.gz BIHZFIIXXVXFJQ-JKSUJKDBSA-N 1 0 241.378 3.986 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)C1CCC(F)(F)CC1 ZINC000682732952 488027206 /nfs/dbraw/zinc/02/72/06/488027206.db2.gz NFEKIAZHWMBMRJ-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)C1CCC(F)(F)CC1 ZINC000682732954 488027691 /nfs/dbraw/zinc/02/76/91/488027691.db2.gz NFEKIAZHWMBMRJ-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)c1cc(C[NH2+][C@H]2CCC23CCCC3)on1 ZINC000682733282 488027234 /nfs/dbraw/zinc/02/72/34/488027234.db2.gz WFSRCTCHCXHBLY-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CC(C)c1cc(C[NH2+][C@@H]2CCC23CCCC3)on1 ZINC000682733283 488027265 /nfs/dbraw/zinc/02/72/65/488027265.db2.gz WFSRCTCHCXHBLY-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO CCC1(CC)CCC([NH2+]Cc2cc(C)n[nH]2)CC1 ZINC000682733407 488027716 /nfs/dbraw/zinc/02/77/16/488027716.db2.gz YQPFWLADEHISAD-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO C[C@@H]([NH2+]CCCC1CC1)C1CCC(F)(F)CC1 ZINC000682733771 488027623 /nfs/dbraw/zinc/02/76/23/488027623.db2.gz RTIZOEPBNDHJCG-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCCC1CC1)C1CCC(F)(F)CC1 ZINC000682733772 488027559 /nfs/dbraw/zinc/02/75/59/488027559.db2.gz RTIZOEPBNDHJCG-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000682734424 488026187 /nfs/dbraw/zinc/02/61/87/488026187.db2.gz QZFXQVKMOFKBGX-JTQLQIEISA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000682734431 488026125 /nfs/dbraw/zinc/02/61/25/488026125.db2.gz QZFXQVKMOFKBGX-SNVBAGLBSA-N 1 0 243.341 3.733 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c(C)c1 ZINC000682734754 488028857 /nfs/dbraw/zinc/02/88/57/488028857.db2.gz YZJSYZQGCAOZMJ-BLLLJJGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C)c(C)c1 ZINC000682734755 488028865 /nfs/dbraw/zinc/02/88/65/488028865.db2.gz YZJSYZQGCAOZMJ-LRDDRELGSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C)c(C)c1 ZINC000682734756 488028726 /nfs/dbraw/zinc/02/87/26/488028726.db2.gz YZJSYZQGCAOZMJ-MLGOLLRUSA-N 1 0 247.382 3.672 20 0 BHADRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H]2C)c(C)c1 ZINC000682734757 488028340 /nfs/dbraw/zinc/02/83/40/488028340.db2.gz YZJSYZQGCAOZMJ-WBMJQRKESA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)CC[N@H+](C)CCCCOC(C)(C)C ZINC000682754500 488028181 /nfs/dbraw/zinc/02/81/81/488028181.db2.gz CBJYPYAQOZNUIU-UHFFFAOYSA-N 1 0 229.408 3.560 20 0 BHADRO CC(C)C([NH2+]CCCCOC(C)(C)C)C(C)C ZINC000682771973 488036076 /nfs/dbraw/zinc/03/60/76/488036076.db2.gz UKYFUUMUCXPXEB-UHFFFAOYSA-N 1 0 243.435 3.852 20 0 BHADRO CCn1ccc(C[N@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000682777702 488037833 /nfs/dbraw/zinc/03/78/33/488037833.db2.gz GLRRNJQMSAUQFR-AWEZNQCLSA-N 1 0 242.366 3.701 20 0 BHADRO CCn1ccc(C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000682777703 488037320 /nfs/dbraw/zinc/03/73/20/488037320.db2.gz GLRRNJQMSAUQFR-CQSZACIVSA-N 1 0 242.366 3.701 20 0 BHADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCOC(C)(C)C)C1 ZINC000682777769 488038890 /nfs/dbraw/zinc/03/88/90/488038890.db2.gz RRJQXSJXFPYZKQ-HZSPNIEDSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCOC(C)(C)C)C1 ZINC000682777773 488039373 /nfs/dbraw/zinc/03/93/73/488039373.db2.gz RRJQXSJXFPYZKQ-MCIONIFRSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCOC(C)(C)C)C1 ZINC000682777774 488039594 /nfs/dbraw/zinc/03/95/94/488039594.db2.gz RRJQXSJXFPYZKQ-MGPQQGTHSA-N 1 0 241.419 3.558 20 0 BHADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCOC(C)(C)C)C1 ZINC000682777775 488039751 /nfs/dbraw/zinc/03/97/51/488039751.db2.gz RRJQXSJXFPYZKQ-RDBSUJKOSA-N 1 0 241.419 3.558 20 0 BHADRO CCn1ccc(C[N@H+](C)CC2CCCCC2)c1 ZINC000682777832 488039306 /nfs/dbraw/zinc/03/93/06/488039306.db2.gz JOTUUYOKWDLVTA-UHFFFAOYSA-N 1 0 234.387 3.520 20 0 BHADRO CCn1ccc(C[N@H+](C)Cc2sccc2C)c1 ZINC000682778131 488038596 /nfs/dbraw/zinc/03/85/96/488038596.db2.gz VKFUIAVGFQIMHM-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO CCn1ccc(C[N@H+](C)Cc2ccc(C)s2)c1 ZINC000682780955 488040162 /nfs/dbraw/zinc/04/01/62/488040162.db2.gz VNNKTFDVEVVMGO-UHFFFAOYSA-N 1 0 248.395 3.510 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2C)nc1 ZINC000682787176 488040288 /nfs/dbraw/zinc/04/02/88/488040288.db2.gz GLQBHQSOLCBUKN-CABCVRRESA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2C)nc1 ZINC000682787179 488040937 /nfs/dbraw/zinc/04/09/37/488040937.db2.gz GLQBHQSOLCBUKN-GJZGRUSLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2C)nc1 ZINC000682787180 488041155 /nfs/dbraw/zinc/04/11/55/488041155.db2.gz GLQBHQSOLCBUKN-HUUCEWRRSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2C)nc1 ZINC000682787181 488040254 /nfs/dbraw/zinc/04/02/54/488040254.db2.gz GLQBHQSOLCBUKN-LSDHHAIUSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H](C)C2)nc1 ZINC000682788331 488042076 /nfs/dbraw/zinc/04/20/76/488042076.db2.gz VLNRAAKMWSJJNW-DZGCQCFKSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H](C)C2)nc1 ZINC000682788332 488042042 /nfs/dbraw/zinc/04/20/42/488042042.db2.gz VLNRAAKMWSJJNW-HIFRSBDPSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000682788334 488041879 /nfs/dbraw/zinc/04/18/79/488041879.db2.gz VLNRAAKMWSJJNW-UKRRQHHQSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H](C)C2)nc1 ZINC000682788337 488041829 /nfs/dbraw/zinc/04/18/29/488041829.db2.gz VLNRAAKMWSJJNW-ZFWWWQNUSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[N@H+](C)CC2CCCCCC2)nc1 ZINC000682788583 488042066 /nfs/dbraw/zinc/04/20/66/488042066.db2.gz QNTFDIZZORCYTL-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC(C)=CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000682886736 488060295 /nfs/dbraw/zinc/06/02/95/488060295.db2.gz DUZSSHHTESQJLQ-AWEZNQCLSA-N 1 0 237.293 3.508 20 0 BHADRO CC(C)=CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000682886737 488060117 /nfs/dbraw/zinc/06/01/17/488060117.db2.gz DUZSSHHTESQJLQ-CQSZACIVSA-N 1 0 237.293 3.508 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000682909569 488062772 /nfs/dbraw/zinc/06/27/72/488062772.db2.gz DSBAZPSQCCVDRN-CYBMUJFWSA-N 1 0 232.371 3.705 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000682909570 488063321 /nfs/dbraw/zinc/06/33/21/488063321.db2.gz DSBAZPSQCCVDRN-ZDUSSCGKSA-N 1 0 232.371 3.705 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000682938365 488068598 /nfs/dbraw/zinc/06/85/98/488068598.db2.gz MSYMMXUGMOVCFJ-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000682938367 488068965 /nfs/dbraw/zinc/06/89/65/488068965.db2.gz MSYMMXUGMOVCFJ-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)=CCC[NH2+]Cc1nccc2ccccc21 ZINC000682944335 488068593 /nfs/dbraw/zinc/06/85/93/488068593.db2.gz HGMYWDFLUGWNBL-UHFFFAOYSA-N 1 0 240.350 3.681 20 0 BHADRO CC(C)=CCC[NH2+]CC(C)(C)c1ccccc1 ZINC000682944569 488068888 /nfs/dbraw/zinc/06/88/88/488068888.db2.gz NSGZLMQVFBWBOQ-UHFFFAOYSA-N 1 0 231.383 3.910 20 0 BHADRO Clc1sccc1C[NH+]1C2CCC1CC2 ZINC000682993926 488072507 /nfs/dbraw/zinc/07/25/07/488072507.db2.gz IXDLQCNQXZSDSQ-UHFFFAOYSA-N 1 0 227.760 3.528 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccsc1Cl ZINC000682994324 488080528 /nfs/dbraw/zinc/08/05/28/488080528.db2.gz QLRCKCWSYCHYDZ-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO Clc1sccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000682996284 488081905 /nfs/dbraw/zinc/08/19/05/488081905.db2.gz PKAJETNHZLBYNT-LLVKDONJSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1sccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000682996285 488082125 /nfs/dbraw/zinc/08/21/25/488082125.db2.gz PKAJETNHZLBYNT-NSHDSACASA-N 1 0 241.787 3.776 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCCCC1)c1ccncc1 ZINC000682997458 488081461 /nfs/dbraw/zinc/08/14/61/488081461.db2.gz QWRFICGNBNBPIG-AWEZNQCLSA-N 1 0 246.398 3.745 20 0 BHADRO C[C@H](C[NH2+]CCC1CCCCC1)c1ccncc1 ZINC000682997459 488081312 /nfs/dbraw/zinc/08/13/12/488081312.db2.gz QWRFICGNBNBPIG-CQSZACIVSA-N 1 0 246.398 3.745 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000683000834 488083505 /nfs/dbraw/zinc/08/35/05/488083505.db2.gz AYGBLCSLNNGZKB-AWEZNQCLSA-N 1 0 240.350 3.583 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000683000835 488083325 /nfs/dbraw/zinc/08/33/25/488083325.db2.gz AYGBLCSLNNGZKB-CQSZACIVSA-N 1 0 240.350 3.583 20 0 BHADRO CCCC[NH+](CCCC)Cc1cc(C)ccn1 ZINC000683000900 488082992 /nfs/dbraw/zinc/08/29/92/488082992.db2.gz BUTXNWHHZWZVLJ-UHFFFAOYSA-N 1 0 234.387 3.792 20 0 BHADRO Cc1ccnc(C[N@@H+](C)C2CCCCCC2)c1 ZINC000683001961 488083132 /nfs/dbraw/zinc/08/31/32/488083132.db2.gz SWJZQRRSDKTDJX-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO CC[N@H+](Cc1cc(C)ccn1)C1CCCCC1 ZINC000683002230 488085414 /nfs/dbraw/zinc/08/54/14/488085414.db2.gz FLDTYJKCLGDMCX-UHFFFAOYSA-N 1 0 232.371 3.545 20 0 BHADRO Cc1ccnc(C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000683002278 488084469 /nfs/dbraw/zinc/08/44/69/488084469.db2.gz HJPGATWMCLGOBR-UHFFFAOYSA-N 1 0 244.382 3.687 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@H](C)c2cccs2)c1 ZINC000683003131 487605786 /nfs/dbraw/zinc/60/57/86/487605786.db2.gz XGKGOSDDMLYUDS-GFCCVEGCSA-N 1 0 246.379 3.645 20 0 BHADRO Cc1ccnc(C[N@@H+](C)[C@@H](C)c2cccs2)c1 ZINC000683003132 487605930 /nfs/dbraw/zinc/60/59/30/487605930.db2.gz XGKGOSDDMLYUDS-LBPRGKRZSA-N 1 0 246.379 3.645 20 0 BHADRO CCC(CC)C[N@H+](CC)Cc1cc(C)ccn1 ZINC000683003271 488085045 /nfs/dbraw/zinc/08/50/45/488085045.db2.gz YVIDXLNYERSXJS-UHFFFAOYSA-N 1 0 234.387 3.648 20 0 BHADRO CCCCC[N@H+](Cc1cc(C)ccn1)C(C)C ZINC000683003395 488085064 /nfs/dbraw/zinc/08/50/64/488085064.db2.gz SAFJYLXQBUKGMX-UHFFFAOYSA-N 1 0 234.387 3.791 20 0 BHADRO Cc1ccnc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000683003724 488084233 /nfs/dbraw/zinc/08/42/33/488084233.db2.gz VSKUUCXHQNMILY-UHFFFAOYSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000683003889 488085887 /nfs/dbraw/zinc/08/58/87/488085887.db2.gz HWSWFSKPECCQOS-INIZCTEOSA-N 1 0 244.382 3.545 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000683003892 488086122 /nfs/dbraw/zinc/08/61/22/488086122.db2.gz HWSWFSKPECCQOS-MRXNPFEDSA-N 1 0 244.382 3.545 20 0 BHADRO CCC(CC)[N@H+](Cc1cc(C)ccn1)C1CC1 ZINC000683006003 488086369 /nfs/dbraw/zinc/08/63/69/488086369.db2.gz GTEBRUOQBKIKTE-UHFFFAOYSA-N 1 0 232.371 3.543 20 0 BHADRO Cc1ccnc(C[N@@H+](CC(C)C)C2CCCC2)c1 ZINC000683006033 488087929 /nfs/dbraw/zinc/08/79/29/488087929.db2.gz KNZBTGKPERJNCD-UHFFFAOYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1 ZINC000683006350 488088256 /nfs/dbraw/zinc/08/82/56/488088256.db2.gz NRBPWKMASTYBMI-HNNXBMFYSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000683006351 488087330 /nfs/dbraw/zinc/08/73/30/488087330.db2.gz NRBPWKMASTYBMI-OAHLLOKOSA-N 1 0 246.398 3.791 20 0 BHADRO Cc1ccnc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000683006465 488087786 /nfs/dbraw/zinc/08/77/86/488087786.db2.gz NAJLGLARWZNSAZ-UHFFFAOYSA-N 1 0 234.387 3.694 20 0 BHADRO Cc1ccnc(C[N@H+](C)CCC2CCCCC2)c1 ZINC000683007070 488087291 /nfs/dbraw/zinc/08/72/91/488087291.db2.gz YBVZTQFTYIHHGW-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1cc(C)ccn1)C1CC1 ZINC000683007246 488088326 /nfs/dbraw/zinc/08/83/26/488088326.db2.gz PYVXUBYXFBNGOK-KBPBESRZSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(C)ccn1)C1CC1 ZINC000683007247 488087277 /nfs/dbraw/zinc/08/72/77/488087277.db2.gz PYVXUBYXFBNGOK-KGLIPLIRSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(C)ccn1)C1CC1 ZINC000683007248 488087285 /nfs/dbraw/zinc/08/72/85/488087285.db2.gz PYVXUBYXFBNGOK-UONOGXRCSA-N 1 0 246.398 3.789 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(C)ccn1)C1CC1 ZINC000683007249 488087915 /nfs/dbraw/zinc/08/79/15/488087915.db2.gz PYVXUBYXFBNGOK-ZIAGYGMSSA-N 1 0 246.398 3.789 20 0 BHADRO Cc1ccnc(C[N@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC000683008790 488089215 /nfs/dbraw/zinc/08/92/15/488089215.db2.gz APIJFPQQUQGYHD-HNNXBMFYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccnc(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC000683008791 488089751 /nfs/dbraw/zinc/08/97/51/488089751.db2.gz APIJFPQQUQGYHD-OAHLLOKOSA-N 1 0 246.398 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ADKNOTHRZJITLZ-UHFFFAOYSA-N 1 0 244.382 3.689 20 0 BHADRO Cc1ccnc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000683018618 490153078 /nfs/dbraw/zinc/15/30/78/490153078.db2.gz DNQVSUFVSTXZNY-UHFFFAOYSA-N 1 0 244.382 3.568 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)ccn1)C1CCCCC1 ZINC000683019731 488096328 /nfs/dbraw/zinc/09/63/28/488096328.db2.gz GCPFQSUYHCOJBX-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)ccn1)C1CCCCC1 ZINC000683019732 490155419 /nfs/dbraw/zinc/15/54/19/490155419.db2.gz GCPFQSUYHCOJBX-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]([NH2+]Cc1cc(C)ccn1)C1CCC1 ZINC000683021508 488097319 /nfs/dbraw/zinc/09/73/19/488097319.db2.gz FMQIENFFKZXNSX-INIZCTEOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1cc(C)ccn1)C1CCC1 ZINC000683021509 488097863 /nfs/dbraw/zinc/09/78/63/488097863.db2.gz FMQIENFFKZXNSX-MRXNPFEDSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccnc(C[NH+]2CC(C)(C)CC(C)(C)C2)c1 ZINC000683022526 488097989 /nfs/dbraw/zinc/09/79/89/488097989.db2.gz JQJLKPAOGQHPHA-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683023796 488099186 /nfs/dbraw/zinc/09/91/86/488099186.db2.gz XAXOKZQUBOCQLT-HNNXBMFYSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683023797 488098652 /nfs/dbraw/zinc/09/86/52/488098652.db2.gz XAXOKZQUBOCQLT-OAHLLOKOSA-N 1 0 232.371 3.545 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683024310 488098516 /nfs/dbraw/zinc/09/85/16/488098516.db2.gz JVXRMRYXUXXFDF-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683024311 490154506 /nfs/dbraw/zinc/15/45/06/490154506.db2.gz JVXRMRYXUXXFDF-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683024312 490154738 /nfs/dbraw/zinc/15/47/38/490154738.db2.gz JVXRMRYXUXXFDF-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683024313 490155019 /nfs/dbraw/zinc/15/50/19/490155019.db2.gz JVXRMRYXUXXFDF-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO Cc1ccnc(C[NH+]2CCC(C)(C(C)C)CC2)c1 ZINC000683024437 488098885 /nfs/dbraw/zinc/09/88/85/488098885.db2.gz QLOUQGYRHCLVQM-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCC1(CC)CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683024918 488099636 /nfs/dbraw/zinc/09/96/36/488099636.db2.gz XAUKIQQEIBEDBG-UHFFFAOYSA-N 1 0 246.398 3.792 20 0 BHADRO CC[N@H+](Cc1cc(C)ccn1)[C@@H]1CCCC[C@H]1C ZINC000683025564 488098963 /nfs/dbraw/zinc/09/89/63/488098963.db2.gz VLCCGXXMIHCGSG-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cc(C)ccn1)[C@@H]1CCCC[C@@H]1C ZINC000683025566 488099176 /nfs/dbraw/zinc/09/91/76/488099176.db2.gz VLCCGXXMIHCGSG-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cc(C)ccn1)[C@H]1CCCC[C@@H]1C ZINC000683025567 488099095 /nfs/dbraw/zinc/09/90/95/488099095.db2.gz VLCCGXXMIHCGSG-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cc(C)ccn1)[C@H]1CCCC[C@H]1C ZINC000683025568 488098628 /nfs/dbraw/zinc/09/86/28/488098628.db2.gz VLCCGXXMIHCGSG-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CCn1ccc(C[N@H+](C)CCC(C)(C)CC)c1 ZINC000683029472 488100039 /nfs/dbraw/zinc/10/00/39/488100039.db2.gz MXKDOAOUFPZAOV-UHFFFAOYSA-N 1 0 236.403 3.766 20 0 BHADRO CCn1ccc(C[N@H+](C)CCCC(C)(C)C)c1 ZINC000683030486 487608933 /nfs/dbraw/zinc/60/89/33/487608933.db2.gz XDSXMXWWCSIFOE-UHFFFAOYSA-N 1 0 236.403 3.766 20 0 BHADRO CCn1ccc(C[N@H+](C)CCC2CCCC2)c1 ZINC000683031407 488101781 /nfs/dbraw/zinc/10/17/81/488101781.db2.gz URKNGIXVDRAPGP-UHFFFAOYSA-N 1 0 234.387 3.520 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1CC(C(C)C)C1 ZINC000683078178 488106129 /nfs/dbraw/zinc/10/61/29/488106129.db2.gz BMYOTQRPKKDFCG-UHFFFAOYSA-N 1 0 247.382 3.528 20 0 BHADRO c1ccc2c(c1)C[C@H]2C[NH2+]C1CCC2(CC2)CC1 ZINC000683078827 488106428 /nfs/dbraw/zinc/10/64/28/488106428.db2.gz JKCGRINMUMDHGP-AWEZNQCLSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)C[C@@H]2C[NH2+]C1CCC2(CC2)CC1 ZINC000683078829 488106248 /nfs/dbraw/zinc/10/62/48/488106248.db2.gz JKCGRINMUMDHGP-CQSZACIVSA-N 1 0 241.378 3.639 20 0 BHADRO CC(C)C1CC([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000683079261 488106093 /nfs/dbraw/zinc/10/60/93/488106093.db2.gz PRRIBFHRGDBXBK-UHFFFAOYSA-N 1 0 242.366 3.692 20 0 BHADRO CC(C)c1cc(C[NH2+]C2CCC3(CC3)CC2)on1 ZINC000683079885 488105170 /nfs/dbraw/zinc/10/51/70/488105170.db2.gz VHULBAIRJQGRBW-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000683106598 488108878 /nfs/dbraw/zinc/10/88/78/488108878.db2.gz BWVNNSYFGTZJKZ-JTQLQIEISA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000683106599 488108491 /nfs/dbraw/zinc/10/84/91/488108491.db2.gz BWVNNSYFGTZJKZ-SNVBAGLBSA-N 1 0 248.370 3.665 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C(C)C)C1)c1ccccn1 ZINC000683107067 488109148 /nfs/dbraw/zinc/10/91/48/488109148.db2.gz ICAQRPVSLJBRPM-XUJLQICISA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccccn1 ZINC000683107068 488108928 /nfs/dbraw/zinc/10/89/28/488108928.db2.gz ICAQRPVSLJBRPM-ZBCRRDGASA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000683108811 487613231 /nfs/dbraw/zinc/61/32/31/487613231.db2.gz GYEZHHWVLWFTDQ-GXTWGEPZSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000683108812 487613818 /nfs/dbraw/zinc/61/38/18/487613818.db2.gz GYEZHHWVLWFTDQ-JSGCOSHPSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000683108815 487613488 /nfs/dbraw/zinc/61/34/88/487613488.db2.gz GYEZHHWVLWFTDQ-OCCSQVGLSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000683108817 487613621 /nfs/dbraw/zinc/61/36/21/487613621.db2.gz GYEZHHWVLWFTDQ-TZMCWYRMSA-N 1 0 247.382 3.610 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]1C ZINC000683108831 487613111 /nfs/dbraw/zinc/61/31/11/487613111.db2.gz FBUUOCBALYPMNN-DZGCQCFKSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]1C ZINC000683108832 487613389 /nfs/dbraw/zinc/61/33/89/487613389.db2.gz FBUUOCBALYPMNN-HIFRSBDPSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@H]1C ZINC000683108833 487613401 /nfs/dbraw/zinc/61/34/01/487613401.db2.gz FBUUOCBALYPMNN-UKRRQHHQSA-N 1 0 247.382 3.563 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]1C ZINC000683108834 487613413 /nfs/dbraw/zinc/61/34/13/487613413.db2.gz FBUUOCBALYPMNN-ZFWWWQNUSA-N 1 0 247.382 3.563 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000683110324 487615075 /nfs/dbraw/zinc/61/50/75/487615075.db2.gz LYNRJHJHYXIYCI-BPLDGKMQSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000683110325 487615154 /nfs/dbraw/zinc/61/51/54/487615154.db2.gz LYNRJHJHYXIYCI-SNPRPXQTSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1C[C@H]1C[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000683110326 487615175 /nfs/dbraw/zinc/61/51/75/487615175.db2.gz LYNRJHJHYXIYCI-VHDGCEQUSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000683110327 487615464 /nfs/dbraw/zinc/61/54/64/487615464.db2.gz LYNRJHJHYXIYCI-YUELXQCFSA-N 1 0 229.367 3.726 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]CCC(C)(C)c1ccccc1 ZINC000683110626 488111958 /nfs/dbraw/zinc/11/19/58/488111958.db2.gz QVUHOPSSXATINI-KBPBESRZSA-N 1 0 231.383 3.600 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]CCC(C)(C)c1ccccc1 ZINC000683110627 488111682 /nfs/dbraw/zinc/11/16/82/488111682.db2.gz QVUHOPSSXATINI-KGLIPLIRSA-N 1 0 231.383 3.600 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]CCC(C)(C)c1ccccc1 ZINC000683110628 488111977 /nfs/dbraw/zinc/11/19/77/488111977.db2.gz QVUHOPSSXATINI-UONOGXRCSA-N 1 0 231.383 3.600 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]CCC(C)(C)c1ccccc1 ZINC000683110629 488111823 /nfs/dbraw/zinc/11/18/23/488111823.db2.gz QVUHOPSSXATINI-ZIAGYGMSSA-N 1 0 231.383 3.600 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683141916 487620018 /nfs/dbraw/zinc/62/00/18/487620018.db2.gz QOOYCLBYKLQCDY-GDBMZVCRSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683141917 487619874 /nfs/dbraw/zinc/61/98/74/487619874.db2.gz QOOYCLBYKLQCDY-GOEBONIOSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683141918 487619816 /nfs/dbraw/zinc/61/98/16/487619816.db2.gz QOOYCLBYKLQCDY-HOCLYGCPSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000683141920 487619999 /nfs/dbraw/zinc/61/99/99/487619999.db2.gz QOOYCLBYKLQCDY-ZBFHGGJFSA-N 1 0 246.398 3.839 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000683142651 488118447 /nfs/dbraw/zinc/11/84/47/488118447.db2.gz NAJFNFDLMZYJKR-INQOVCNISA-N 1 0 229.367 3.564 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000683142652 488118435 /nfs/dbraw/zinc/11/84/35/488118435.db2.gz NAJFNFDLMZYJKR-REUDQUMMSA-N 1 0 229.367 3.564 20 0 BHADRO C/C=C/C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000683142653 488117817 /nfs/dbraw/zinc/11/78/17/488117817.db2.gz NAJFNFDLMZYJKR-TWTBHFKPSA-N 1 0 229.367 3.564 20 0 BHADRO C/C=C\C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000683142654 488118227 /nfs/dbraw/zinc/11/82/27/488118227.db2.gz NAJFNFDLMZYJKR-UVCACSLRSA-N 1 0 229.367 3.564 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000683144811 488118886 /nfs/dbraw/zinc/11/88/86/488118886.db2.gz WCGKUACSBXVHNE-JTQLQIEISA-N 1 0 248.395 3.883 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000683144813 488119281 /nfs/dbraw/zinc/11/92/81/488119281.db2.gz WCGKUACSBXVHNE-SNVBAGLBSA-N 1 0 248.395 3.883 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000683205145 488130701 /nfs/dbraw/zinc/13/07/01/488130701.db2.gz BVIWRTXSZBTWSW-HNNXBMFYSA-N 1 0 243.394 3.887 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000683205146 488130132 /nfs/dbraw/zinc/13/01/32/488130132.db2.gz BVIWRTXSZBTWSW-OAHLLOKOSA-N 1 0 243.394 3.887 20 0 BHADRO CCCc1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000683206125 488130385 /nfs/dbraw/zinc/13/03/85/488130385.db2.gz FMUFQEZGDMVUGS-UHFFFAOYSA-N 1 0 239.309 3.526 20 0 BHADRO Cc1ccc(C[NH+]2CCC3(CC3)CC2)cc1C ZINC000683221046 488132838 /nfs/dbraw/zinc/13/28/38/488132838.db2.gz GOLSPJMUZZVIAD-UHFFFAOYSA-N 1 0 229.367 3.679 20 0 BHADRO CC(C)CCC[NH+]1CCC(c2cccnc2)CC1 ZINC000683221487 488132947 /nfs/dbraw/zinc/13/29/47/488132947.db2.gz NURBDESHFWKIMT-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO COC1(C[C@@H](C)[NH2+]C(C(C)C)C(C)C)CCC1 ZINC000683228670 488135232 /nfs/dbraw/zinc/13/52/32/488135232.db2.gz SDSRBHXGBRETCL-CYBMUJFWSA-N 1 0 241.419 3.604 20 0 BHADRO COC1(C[C@H](C)[NH2+]C(C(C)C)C(C)C)CCC1 ZINC000683228671 488135325 /nfs/dbraw/zinc/13/53/25/488135325.db2.gz SDSRBHXGBRETCL-ZDUSSCGKSA-N 1 0 241.419 3.604 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)c(C)n1 ZINC000683229023 488135025 /nfs/dbraw/zinc/13/50/25/488135025.db2.gz CBHSJOBEQOVRKV-DZGCQCFKSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)c(C)n1 ZINC000683229024 488135184 /nfs/dbraw/zinc/13/51/84/488135184.db2.gz CBHSJOBEQOVRKV-HIFRSBDPSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c(C)n1 ZINC000683229025 488134966 /nfs/dbraw/zinc/13/49/66/488134966.db2.gz CBHSJOBEQOVRKV-UKRRQHHQSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)c(C)n1 ZINC000683229026 488134804 /nfs/dbraw/zinc/13/48/04/488134804.db2.gz CBHSJOBEQOVRKV-ZFWWWQNUSA-N 1 0 244.382 3.682 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000683229589 488135579 /nfs/dbraw/zinc/13/55/79/488135579.db2.gz IUYZFNDFNMHIJL-GFCCVEGCSA-N 1 0 234.387 3.785 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000683229590 488135219 /nfs/dbraw/zinc/13/52/19/488135219.db2.gz IUYZFNDFNMHIJL-LBPRGKRZSA-N 1 0 234.387 3.785 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC12CCCC2 ZINC000683230065 488135299 /nfs/dbraw/zinc/13/52/99/488135299.db2.gz SODXBPGMGVZGKN-GXTWGEPZSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CC12CCCC2 ZINC000683230066 488135286 /nfs/dbraw/zinc/13/52/86/488135286.db2.gz SODXBPGMGVZGKN-JSGCOSHPSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CC12CCCC2 ZINC000683230067 488135269 /nfs/dbraw/zinc/13/52/69/488135269.db2.gz SODXBPGMGVZGKN-OCCSQVGLSA-N 1 0 249.423 3.992 20 0 BHADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC12CCCC2 ZINC000683230068 488135489 /nfs/dbraw/zinc/13/54/89/488135489.db2.gz SODXBPGMGVZGKN-TZMCWYRMSA-N 1 0 249.423 3.992 20 0 BHADRO CC(C)OC1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000683435991 487647657 /nfs/dbraw/zinc/64/76/57/487647657.db2.gz FUFADIAILOTMKL-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000683436250 487647645 /nfs/dbraw/zinc/64/76/45/487647645.db2.gz FXDZISORJNYIFY-GUTXKFCHSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccncc1 ZINC000683436254 487647618 /nfs/dbraw/zinc/64/76/18/487647618.db2.gz FXDZISORJNYIFY-GZBFAFLISA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccncc1 ZINC000683436257 487647559 /nfs/dbraw/zinc/64/75/59/487647559.db2.gz FXDZISORJNYIFY-NFAWXSAZSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccncc1 ZINC000683436259 487647478 /nfs/dbraw/zinc/64/74/78/487647478.db2.gz FXDZISORJNYIFY-UMVBOHGHSA-N 1 0 246.398 3.599 20 0 BHADRO Cc1occc1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000683471156 488169608 /nfs/dbraw/zinc/16/96/08/488169608.db2.gz AZPARWKEXPAZPZ-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO CC[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000683518787 488182536 /nfs/dbraw/zinc/18/25/36/488182536.db2.gz KQOAZACMDFVYKB-UHFFFAOYSA-N 1 0 231.364 3.867 20 0 BHADRO CC(C)[N@H+](CCCOC(C)(C)C)CC1CCC1 ZINC000683527883 487669634 /nfs/dbraw/zinc/66/96/34/487669634.db2.gz PBGXVVYQRNHFSG-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CCC1 ZINC000683670340 488206363 /nfs/dbraw/zinc/20/63/63/488206363.db2.gz HLTASJCNTCSBLM-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000683690224 488207013 /nfs/dbraw/zinc/20/70/13/488207013.db2.gz FUYXUEIFLGOGPP-BLLLJJGKSA-N 1 0 244.382 3.569 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000683690226 488207329 /nfs/dbraw/zinc/20/73/29/488207329.db2.gz FUYXUEIFLGOGPP-LRDDRELGSA-N 1 0 244.382 3.569 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000683690228 488207140 /nfs/dbraw/zinc/20/71/40/488207140.db2.gz FUYXUEIFLGOGPP-MLGOLLRUSA-N 1 0 244.382 3.569 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000683690230 488206968 /nfs/dbraw/zinc/20/69/68/488206968.db2.gz FUYXUEIFLGOGPP-WBMJQRKESA-N 1 0 244.382 3.569 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000683690623 488207287 /nfs/dbraw/zinc/20/72/87/488207287.db2.gz MNHXRMGKYUVJKS-IPYPFGDCSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000683690624 488207099 /nfs/dbraw/zinc/20/70/99/488207099.db2.gz MNHXRMGKYUVJKS-KCQAQPDRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000683690625 488206950 /nfs/dbraw/zinc/20/69/50/488206950.db2.gz MNHXRMGKYUVJKS-VNHYZAJKSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000683690626 488206935 /nfs/dbraw/zinc/20/69/35/488206935.db2.gz MNHXRMGKYUVJKS-YDHLFZDLSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000683691406 488207860 /nfs/dbraw/zinc/20/78/60/488207860.db2.gz CLCIMLMXAHOERA-AWEZNQCLSA-N 1 0 248.414 3.969 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000683691408 488207604 /nfs/dbraw/zinc/20/76/04/488207604.db2.gz CLCIMLMXAHOERA-CQSZACIVSA-N 1 0 248.414 3.969 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000683696020 488208614 /nfs/dbraw/zinc/20/86/14/488208614.db2.gz YXIBNAZLUSSBER-NWDGAFQWSA-N 1 0 249.402 3.728 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000683696021 488208887 /nfs/dbraw/zinc/20/88/87/488208887.db2.gz YXIBNAZLUSSBER-RYUDHWBXSA-N 1 0 249.402 3.728 20 0 BHADRO Cc1ccc(C[N@H+](CC2(C)CCC2)C2CC2)o1 ZINC000683696773 488209006 /nfs/dbraw/zinc/20/90/06/488209006.db2.gz VXDUPZMAVUCQHY-UHFFFAOYSA-N 1 0 233.355 3.743 20 0 BHADRO C[C@H](CC[NH+]1C2CCC1CC2)c1ccccc1 ZINC000683696827 488208791 /nfs/dbraw/zinc/20/87/91/488208791.db2.gz YLAXINNWHIOIIU-IUDNXUCKSA-N 1 0 229.367 3.807 20 0 BHADRO C[C@@H](CC[NH+]1C2CCC1CC2)c1ccccc1 ZINC000683696828 488208705 /nfs/dbraw/zinc/20/87/05/488208705.db2.gz YLAXINNWHIOIIU-JEYLPNPQSA-N 1 0 229.367 3.807 20 0 BHADRO Cc1ccc(C[NH+]2C3CCC2CC3)cc1Cl ZINC000683696846 488208786 /nfs/dbraw/zinc/20/87/86/488208786.db2.gz ZIWLBIYONYJTNQ-UHFFFAOYSA-N 1 0 235.758 3.775 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CCC1 ZINC000683697574 488208493 /nfs/dbraw/zinc/20/84/93/488208493.db2.gz NCOLNDSNMFUCSH-HNNXBMFYSA-N 1 0 245.366 3.719 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CCC1 ZINC000683697576 487686608 /nfs/dbraw/zinc/68/66/08/487686608.db2.gz NCOLNDSNMFUCSH-OAHLLOKOSA-N 1 0 245.366 3.719 20 0 BHADRO CC1(C[N@@H+]2CCCc3sccc3C2)CCC1 ZINC000683697799 488209979 /nfs/dbraw/zinc/20/99/79/488209979.db2.gz BZUJHADFSNJOSV-UHFFFAOYSA-N 1 0 235.396 3.687 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(C)CCC2)n1 ZINC000683697811 488209423 /nfs/dbraw/zinc/20/94/23/488209423.db2.gz CJABBRFFRGCWHP-HNNXBMFYSA-N 1 0 244.382 3.717 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2CC2(C)CCC2)n1 ZINC000683697812 488210089 /nfs/dbraw/zinc/21/00/89/488210089.db2.gz CJABBRFFRGCWHP-OAHLLOKOSA-N 1 0 244.382 3.717 20 0 BHADRO COC(C)(C)C[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000683699722 488209643 /nfs/dbraw/zinc/20/96/43/488209643.db2.gz FUFPLVDBOMIBLB-AWEZNQCLSA-N 1 0 249.398 3.537 20 0 BHADRO COC(C)(C)C[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000683699724 488209810 /nfs/dbraw/zinc/20/98/10/488209810.db2.gz FUFPLVDBOMIBLB-CQSZACIVSA-N 1 0 249.398 3.537 20 0 BHADRO CC1(C[N@@H+]2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000683699907 488210094 /nfs/dbraw/zinc/21/00/94/488210094.db2.gz SDABRCMYHOZUNG-AWEZNQCLSA-N 1 0 233.330 3.763 20 0 BHADRO CC1(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CCC1 ZINC000683699911 488210077 /nfs/dbraw/zinc/21/00/77/488210077.db2.gz SDABRCMYHOZUNG-CQSZACIVSA-N 1 0 233.330 3.763 20 0 BHADRO CC1(C[NH+]2C3CCCC2CCC3)CCC1 ZINC000683700616 488209372 /nfs/dbraw/zinc/20/93/72/488209372.db2.gz ZANLPFQIHKNRKF-UHFFFAOYSA-N 1 0 207.361 3.584 20 0 BHADRO Cc1ccc(C[NH+](C)C)cc1NCC1(C)CCC1 ZINC000683701509 488210220 /nfs/dbraw/zinc/21/02/20/488210220.db2.gz UDHXLUQDUICLDF-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO Cc1ccc(NCC2(C)CCC2)c(C[NH+](C)C)c1 ZINC000683701663 488207081 /nfs/dbraw/zinc/20/70/81/488207081.db2.gz WPLICKFMRHVCGD-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]CC1(C)CCC1 ZINC000683703237 488211001 /nfs/dbraw/zinc/21/10/01/488211001.db2.gz MHXOTHCBXZJVPP-AWEZNQCLSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]CC1(C)CCC1 ZINC000683703238 488211006 /nfs/dbraw/zinc/21/10/06/488211006.db2.gz MHXOTHCBXZJVPP-CQSZACIVSA-N 1 0 245.366 3.517 20 0 BHADRO C=Cn1cc(C[NH2+]C[C@@H](CCC)CCCC)cn1 ZINC000683705955 488210862 /nfs/dbraw/zinc/21/08/62/488210862.db2.gz JPFGHDBDPUHSOM-AWEZNQCLSA-N 1 0 249.402 3.680 20 0 BHADRO C=Cn1cc(C[NH2+]C[C@H](CCC)CCCC)cn1 ZINC000683705956 488210686 /nfs/dbraw/zinc/21/06/86/488210686.db2.gz JPFGHDBDPUHSOM-CQSZACIVSA-N 1 0 249.402 3.680 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC000683708372 488211991 /nfs/dbraw/zinc/21/19/91/488211991.db2.gz IFVIGCCALYPHAA-FMKPAKJESA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@H](F)C1)c1ccccc1 ZINC000683708373 488211676 /nfs/dbraw/zinc/21/16/76/488211676.db2.gz IFVIGCCALYPHAA-IIAWOOMASA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@H](C)[C@H](F)C1)c1ccccc1 ZINC000683708374 488211715 /nfs/dbraw/zinc/21/17/15/488211715.db2.gz IFVIGCCALYPHAA-IJEWVQPXSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](CC[N@@H+]1CC[C@H](C)[C@@H](F)C1)c1ccccc1 ZINC000683708375 487688775 /nfs/dbraw/zinc/68/87/75/487688775.db2.gz IFVIGCCALYPHAA-YCPHGPKFSA-N 1 0 249.373 3.860 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCCC12CCC2 ZINC000683724840 488213496 /nfs/dbraw/zinc/21/34/96/488213496.db2.gz WZVSARFNVVAGGG-GFCCVEGCSA-N 1 0 235.396 3.698 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC12CCC2 ZINC000683724841 488213023 /nfs/dbraw/zinc/21/30/23/488213023.db2.gz WZVSARFNVVAGGG-LBPRGKRZSA-N 1 0 235.396 3.698 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(O)cc1 ZINC000683726303 488213513 /nfs/dbraw/zinc/21/35/13/488213513.db2.gz BQPYXHYACSXOLU-ZDUSSCGKSA-N 1 0 247.382 3.841 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+]C1CC(C(F)F)C1 ZINC000683726695 488213443 /nfs/dbraw/zinc/21/34/43/488213443.db2.gz KXNZIFYVLDSARH-PKSQDBQZSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H](OCCC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000683763792 488217598 /nfs/dbraw/zinc/21/75/98/488217598.db2.gz KFXGNOMPTJUWBN-AWEZNQCLSA-N 1 0 247.382 3.544 20 0 BHADRO C[C@@H](OCCC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000683763793 488217432 /nfs/dbraw/zinc/21/74/32/488217432.db2.gz KFXGNOMPTJUWBN-CQSZACIVSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(CCC[NH2+]CC2(C)CC2)c(C)c1 ZINC000683764128 488217442 /nfs/dbraw/zinc/21/74/42/488217442.db2.gz ZKHULKFCCACROR-UHFFFAOYSA-N 1 0 231.383 3.626 20 0 BHADRO CC(C)(C)Oc1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000683766301 488217759 /nfs/dbraw/zinc/21/77/59/488217759.db2.gz PCGUFZBEQJVZNJ-UHFFFAOYSA-N 1 0 247.382 3.754 20 0 BHADRO CC(C)(CC[NH2+]CC1(C)CC1)c1ccccc1 ZINC000683766772 488217954 /nfs/dbraw/zinc/21/79/54/488217954.db2.gz JNSZBEOMFASHLQ-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO CC1(C[NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000683767759 488218557 /nfs/dbraw/zinc/21/85/57/488218557.db2.gz QBNFCOISAPLVGT-UHFFFAOYSA-N 1 0 247.357 3.637 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccn1 ZINC000683768794 488218128 /nfs/dbraw/zinc/21/81/28/488218128.db2.gz UMAGKCJXNWBDOS-GUTXKFCHSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccccn1 ZINC000683768795 488218028 /nfs/dbraw/zinc/21/80/28/488218028.db2.gz UMAGKCJXNWBDOS-IPYPFGDCSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccccn1 ZINC000683768796 488218082 /nfs/dbraw/zinc/21/80/82/488218082.db2.gz UMAGKCJXNWBDOS-NFAWXSAZSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccn1 ZINC000683768797 488218079 /nfs/dbraw/zinc/21/80/79/488218079.db2.gz UMAGKCJXNWBDOS-YDHLFZDLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000683768836 488218192 /nfs/dbraw/zinc/21/81/92/488218192.db2.gz MPHQQKQESZTIFQ-UHFFFAOYSA-N 1 0 242.366 3.759 20 0 BHADRO CC1(C[NH2+]CC2(Cc3ccccc3)CCC2)CC1 ZINC000683771638 488218571 /nfs/dbraw/zinc/21/85/71/488218571.db2.gz YJGQFNJPTSSJLQ-UHFFFAOYSA-N 1 0 243.394 3.789 20 0 BHADRO CC1(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000683771890 488218270 /nfs/dbraw/zinc/21/82/70/488218270.db2.gz KPAFEEHCTSKLMR-MNOVXSKESA-N 1 0 249.320 3.745 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000683771892 488218582 /nfs/dbraw/zinc/21/85/82/488218582.db2.gz KPAFEEHCTSKLMR-QWRGUYRKSA-N 1 0 249.320 3.745 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000683771895 488218264 /nfs/dbraw/zinc/21/82/64/488218264.db2.gz KPAFEEHCTSKLMR-WDEREUQCSA-N 1 0 249.320 3.745 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[NH+]1CCC2(CC2)CC1 ZINC000683784082 488221361 /nfs/dbraw/zinc/22/13/61/488221361.db2.gz HJHSEIWEYCJXMT-HNNXBMFYSA-N 1 0 227.351 3.550 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[NH+]1CCC2(CC2)CC1 ZINC000683784083 488221407 /nfs/dbraw/zinc/22/14/07/488221407.db2.gz HJHSEIWEYCJXMT-OAHLLOKOSA-N 1 0 227.351 3.550 20 0 BHADRO c1cc(C2CCC2)ccc1C[N@H+]1CC=CCC1 ZINC000683787153 488221978 /nfs/dbraw/zinc/22/19/78/488221978.db2.gz ZYROJKFQVFJNCI-UHFFFAOYSA-N 1 0 227.351 3.716 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)CCS1 ZINC000683788334 488223312 /nfs/dbraw/zinc/22/33/12/488223312.db2.gz FGXUEYQFYIVGPL-DOMZBBRYSA-N 1 0 247.407 3.501 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)CCS1 ZINC000683788335 488218547 /nfs/dbraw/zinc/21/85/47/488218547.db2.gz FGXUEYQFYIVGPL-IUODEOHRSA-N 1 0 247.407 3.501 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)CCS1 ZINC000683788336 488218371 /nfs/dbraw/zinc/21/83/71/488218371.db2.gz FGXUEYQFYIVGPL-SWLSCSKDSA-N 1 0 247.407 3.501 20 0 BHADRO C[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)CCS1 ZINC000683788337 488218253 /nfs/dbraw/zinc/21/82/53/488218253.db2.gz FGXUEYQFYIVGPL-WFASDCNBSA-N 1 0 247.407 3.501 20 0 BHADRO CN(C)c1cccc(C[N@H+](C)C2(C)CCCC2)c1 ZINC000683804598 488224001 /nfs/dbraw/zinc/22/40/01/488224001.db2.gz ASFYVEOGPZFVFN-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000683815004 488224670 /nfs/dbraw/zinc/22/46/70/488224670.db2.gz IMFRAIUUXNDURU-GUTXKFCHSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000683815005 488224980 /nfs/dbraw/zinc/22/49/80/488224980.db2.gz IMFRAIUUXNDURU-GZBFAFLISA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000683815006 488224865 /nfs/dbraw/zinc/22/48/65/488224865.db2.gz IMFRAIUUXNDURU-KCQAQPDRSA-N 1 0 235.371 3.541 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000683815007 488223877 /nfs/dbraw/zinc/22/38/77/488223877.db2.gz IMFRAIUUXNDURU-YDHLFZDLSA-N 1 0 235.371 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000683815580 488224686 /nfs/dbraw/zinc/22/46/86/488224686.db2.gz HVNXCMXRZNBQSF-IOASZLSFSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000683815581 488224860 /nfs/dbraw/zinc/22/48/60/488224860.db2.gz HVNXCMXRZNBQSF-WWGRRREGSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000683815582 488224678 /nfs/dbraw/zinc/22/46/78/488224678.db2.gz HVNXCMXRZNBQSF-XEZPLFJOSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000683815583 488224814 /nfs/dbraw/zinc/22/48/14/488224814.db2.gz HVNXCMXRZNBQSF-ZENOOKHLSA-N 1 0 247.382 3.541 20 0 BHADRO c1cc2cc(C[NH+]3CCCCCC3)ccc2cn1 ZINC000683823070 488225941 /nfs/dbraw/zinc/22/59/41/488225941.db2.gz BTJUAKIODBWRFO-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000683823460 488226410 /nfs/dbraw/zinc/22/64/10/488226410.db2.gz HREMAQSQXBCUPJ-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000683823463 488226011 /nfs/dbraw/zinc/22/60/11/488226011.db2.gz HREMAQSQXBCUPJ-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc2cnccc2c1 ZINC000683824045 488225956 /nfs/dbraw/zinc/22/59/56/488225956.db2.gz VAIFPGOTSJVRPS-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCC[NH+](CCC)Cc1ccc2cnccc2c1 ZINC000683824136 488226062 /nfs/dbraw/zinc/22/60/62/488226062.db2.gz YXHUAJVMRUIWSJ-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO C[N@H+](Cc1ccc2cnccc2c1)C1CCCC1 ZINC000683824868 488227006 /nfs/dbraw/zinc/22/70/06/488227006.db2.gz LDBWYFMALCSQFX-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[N@H+](Cc1ccccc1C)CC1(C)CC1 ZINC000683825246 488227059 /nfs/dbraw/zinc/22/70/59/488227059.db2.gz BMALZMRDRMTMIL-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CC(C)CC[N@H+](C)Cc1sccc1Cl ZINC000683825284 488227245 /nfs/dbraw/zinc/22/72/45/488227245.db2.gz DLXYBAPCWSTCQU-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO C([C@H]1CCSC1)[N@H+](C1CC1)C1CCCCC1 ZINC000683825563 487702839 /nfs/dbraw/zinc/70/28/39/487702839.db2.gz LYNNNLMTGQMHPO-GFCCVEGCSA-N 1 0 239.428 3.537 20 0 BHADRO C([C@@H]1CCSC1)[N@H+](C1CC1)C1CCCCC1 ZINC000683825567 487702643 /nfs/dbraw/zinc/70/26/43/487702643.db2.gz LYNNNLMTGQMHPO-LBPRGKRZSA-N 1 0 239.428 3.537 20 0 BHADRO CCC[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000683825701 488226865 /nfs/dbraw/zinc/22/68/65/488226865.db2.gz QFHSSXRHLYISLE-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000683825718 488226612 /nfs/dbraw/zinc/22/66/12/488226612.db2.gz RQCVTWOPGYETOU-AWEZNQCLSA-N 1 0 233.330 3.763 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000683825719 488225590 /nfs/dbraw/zinc/22/55/90/488225590.db2.gz RQCVTWOPGYETOU-CQSZACIVSA-N 1 0 233.330 3.763 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683825774 488227189 /nfs/dbraw/zinc/22/71/89/488227189.db2.gz VOYJOSREHHTLGY-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683825781 488227110 /nfs/dbraw/zinc/22/71/10/488227110.db2.gz WFTLXTYCHUQGAV-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683825782 488226653 /nfs/dbraw/zinc/22/66/53/488226653.db2.gz WFTLXTYCHUQGAV-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO CC[N@H+](Cc1ccc(C)cc1)CC1(C)CC1 ZINC000683825791 488226830 /nfs/dbraw/zinc/22/68/30/488226830.db2.gz XEGZWOOFNDVFSG-UHFFFAOYSA-N 1 0 217.356 3.617 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683825792 488227016 /nfs/dbraw/zinc/22/70/16/488227016.db2.gz XKLNXJZUCUEZNZ-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683825793 488227279 /nfs/dbraw/zinc/22/72/79/488227279.db2.gz XKLNXJZUCUEZNZ-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO CC[N@@H+](Cc1ccc2cnccc2c1)CC(C)C ZINC000683825893 488225539 /nfs/dbraw/zinc/22/55/39/488225539.db2.gz ZPVMNAKRDBCIHJ-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CCC[N@H+](Cc1ccc(OC)cc1)CC1(C)CC1 ZINC000683826627 488226776 /nfs/dbraw/zinc/22/67/76/488226776.db2.gz JCYCZXGWSUPQNZ-UHFFFAOYSA-N 1 0 247.382 3.707 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683826679 488227216 /nfs/dbraw/zinc/22/72/16/488227216.db2.gz ZIGWOYOQSJQOJS-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683826681 487702586 /nfs/dbraw/zinc/70/25/86/487702586.db2.gz ZIGWOYOQSJQOJS-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000683826843 488228171 /nfs/dbraw/zinc/22/81/71/488228171.db2.gz UIZGVKOWUGXNFF-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO C[N@H+](Cc1ccc2cnccc2c1)CC(C)(C)C ZINC000683827052 488228042 /nfs/dbraw/zinc/22/80/42/488228042.db2.gz GMCADXZCUVJCLX-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000683827134 488228103 /nfs/dbraw/zinc/22/81/03/488228103.db2.gz MFIAEFBZXRZKIM-INIZCTEOSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000683827135 488228273 /nfs/dbraw/zinc/22/82/73/488228273.db2.gz MFIAEFBZXRZKIM-MRXNPFEDSA-N 1 0 240.350 3.609 20 0 BHADRO CC1(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)CC1 ZINC000683827158 488228004 /nfs/dbraw/zinc/22/80/04/488228004.db2.gz NZKVEQLATQXXSZ-AWEZNQCLSA-N 1 0 229.367 3.870 20 0 BHADRO CC1(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)CC1 ZINC000683827159 488227802 /nfs/dbraw/zinc/22/78/02/488227802.db2.gz NZKVEQLATQXXSZ-CQSZACIVSA-N 1 0 229.367 3.870 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000683827598 488227868 /nfs/dbraw/zinc/22/78/68/488227868.db2.gz COPYULYQWJTZRN-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO COc1c(C)cc(C[N@H+](C)CC2(C)CC2)cc1C ZINC000683827804 488228199 /nfs/dbraw/zinc/22/81/99/488228199.db2.gz GTWFRUIKJPXULI-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO Cc1ccc(C)n1C1CC[NH+](CC2(C)CC2)CC1 ZINC000683828166 488228120 /nfs/dbraw/zinc/22/81/20/488228120.db2.gz MNHVVQROJFBJND-UHFFFAOYSA-N 1 0 246.398 3.542 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc2cnccc2c1 ZINC000683829020 488227879 /nfs/dbraw/zinc/22/78/79/488227879.db2.gz UZKVXTNMOKGWDX-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000683829338 488228816 /nfs/dbraw/zinc/22/88/16/488228816.db2.gz UJHOGZAORSYOCS-LLVKDONJSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccsc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000683829339 488224165 /nfs/dbraw/zinc/22/41/65/488224165.db2.gz UJHOGZAORSYOCS-NSHDSACASA-N 1 0 241.787 3.776 20 0 BHADRO CC1(C[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000683829837 488229131 /nfs/dbraw/zinc/22/91/31/488229131.db2.gz FGJRFWAHJGANDF-AWEZNQCLSA-N 1 0 247.407 3.577 20 0 BHADRO CC1(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000683829838 488228556 /nfs/dbraw/zinc/22/85/56/488228556.db2.gz FGJRFWAHJGANDF-CQSZACIVSA-N 1 0 247.407 3.577 20 0 BHADRO CC[N@H+](Cc1ccc2cnccc2c1)C1CCC1 ZINC000683830397 488228967 /nfs/dbraw/zinc/22/89/67/488228967.db2.gz NSHQXPGEVRRNQV-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2cnccc2c1 ZINC000683831642 488229614 /nfs/dbraw/zinc/22/96/14/488229614.db2.gz FKDBVWBOGGBELS-BETUJISGSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2cnccc2c1 ZINC000683831644 488229769 /nfs/dbraw/zinc/22/97/69/488229769.db2.gz FKDBVWBOGGBELS-CHWSQXEVSA-N 1 0 240.350 3.608 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc2cnccc2c1 ZINC000683831645 488229643 /nfs/dbraw/zinc/22/96/43/488229643.db2.gz FKDBVWBOGGBELS-STQMWFEESA-N 1 0 240.350 3.608 20 0 BHADRO C[N@H+](Cc1ccc(Cl)c(F)c1)CC1(C)CC1 ZINC000683832894 488229898 /nfs/dbraw/zinc/22/98/98/488229898.db2.gz NGIPDHHGYPSSGY-UHFFFAOYSA-N 1 0 241.737 3.711 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000683839998 488230229 /nfs/dbraw/zinc/23/02/29/488230229.db2.gz KITQKEGLGZBNRF-GXSJLCMTSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000683839999 488229855 /nfs/dbraw/zinc/22/98/55/488229855.db2.gz KITQKEGLGZBNRF-KOLCDFICSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000683840000 488229949 /nfs/dbraw/zinc/22/99/49/488229949.db2.gz KITQKEGLGZBNRF-MWLCHTKSSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1ccsc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000683840001 488229935 /nfs/dbraw/zinc/22/99/35/488229935.db2.gz KITQKEGLGZBNRF-ONGXEEELSA-N 1 0 241.787 3.776 20 0 BHADRO C/C(=C/c1ccccc1)C[N@@H+](C)CC1(C)CC1 ZINC000683840249 488230549 /nfs/dbraw/zinc/23/05/49/488230549.db2.gz DMPBEJIWTUSMEI-KAMYIIQDSA-N 1 0 229.367 3.822 20 0 BHADRO C/C(=C\c1ccccc1)C[N@@H+](C)CC1(C)CC1 ZINC000683840250 488230590 /nfs/dbraw/zinc/23/05/90/488230590.db2.gz DMPBEJIWTUSMEI-SDNWHVSQSA-N 1 0 229.367 3.822 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccc(O)cc1 ZINC000683843506 488230885 /nfs/dbraw/zinc/23/08/85/488230885.db2.gz BQPYXHYACSXOLU-CYBMUJFWSA-N 1 0 247.382 3.841 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+]C1CC(C(F)F)C1 ZINC000683844149 488231114 /nfs/dbraw/zinc/23/11/14/488231114.db2.gz KXNZIFYVLDSARH-QFWMXSHPSA-N 1 0 245.357 3.979 20 0 BHADRO CCCCC[N@H+](Cc1oc(C)nc1C)C(C)C ZINC000683897868 488239505 /nfs/dbraw/zinc/23/95/05/488239505.db2.gz DDNKWWPZNWYMQB-UHFFFAOYSA-N 1 0 238.375 3.692 20 0 BHADRO Cc1nc(C)c(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000683899145 488241130 /nfs/dbraw/zinc/24/11/30/488241130.db2.gz YOFSFCHPGLRZLX-UHFFFAOYSA-N 1 0 238.375 3.596 20 0 BHADRO C[C@H](C[NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000683926180 488245743 /nfs/dbraw/zinc/24/57/43/488245743.db2.gz AWBSBJPXHRZGGA-LLVKDONJSA-N 1 0 245.357 3.838 20 0 BHADRO C[C@@H](C[NH2+]CC1(C(F)F)CC1)C1CCCCC1 ZINC000683926181 488245825 /nfs/dbraw/zinc/24/58/25/488245825.db2.gz AWBSBJPXHRZGGA-NSHDSACASA-N 1 0 245.357 3.838 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683926593 488245806 /nfs/dbraw/zinc/24/58/06/488245806.db2.gz CCHKFLPRGNDZON-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683926606 488245946 /nfs/dbraw/zinc/24/59/46/488245946.db2.gz CHUSWZFQVKDKGJ-UHFFFAOYSA-N 1 0 230.355 3.692 20 0 BHADRO CC1([NH2+]Cc2cc3ccccc3[nH]2)CCCC1 ZINC000683926846 488246230 /nfs/dbraw/zinc/24/62/30/488246230.db2.gz HGHWKOLLZNFFKN-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]CCC1CCCC1 ZINC000683926961 488246187 /nfs/dbraw/zinc/24/61/87/488246187.db2.gz CVQHGEZFCANHBS-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC1(C[NH2+]Cc2cc3ccccc3[nH]2)CCCC1 ZINC000683927319 488246321 /nfs/dbraw/zinc/24/63/21/488246321.db2.gz NQYTYRUSAXQEQC-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CC1([NH2+]Cc2cc3ccccc3[nH]2)CCCCC1 ZINC000683927352 488246292 /nfs/dbraw/zinc/24/62/92/488246292.db2.gz ORGFLCLPQYAGMP-UHFFFAOYSA-N 1 0 242.366 3.980 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927415 488246303 /nfs/dbraw/zinc/24/63/03/488246303.db2.gz PQHSXHQRKCRRNH-MQMHXKEQSA-N 1 0 242.366 3.836 20 0 BHADRO CCC1(C[NH2+]Cc2cc3ccccc3[nH]2)CCC1 ZINC000683928322 488246311 /nfs/dbraw/zinc/24/63/11/488246311.db2.gz AOVFTGVDJCRKID-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683928772 488246837 /nfs/dbraw/zinc/24/68/37/488246837.db2.gz CCUZLEVKMRSPFL-UHFFFAOYSA-N 1 0 230.355 3.836 20 0 BHADRO CC(C)[C@H](C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683928785 488246678 /nfs/dbraw/zinc/24/66/78/488246678.db2.gz CTEBZAZYCFIOFN-GFCCVEGCSA-N 1 0 230.355 3.550 20 0 BHADRO CC(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683928786 488246796 /nfs/dbraw/zinc/24/67/96/488246796.db2.gz CTEBZAZYCFIOFN-LBPRGKRZSA-N 1 0 230.355 3.550 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]CCC1=CCCC1 ZINC000683928838 488246849 /nfs/dbraw/zinc/24/68/49/488246849.db2.gz WWEFCVSWDMCTNW-UHFFFAOYSA-N 1 0 240.350 3.758 20 0 BHADRO CCCC1(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929144 488246853 /nfs/dbraw/zinc/24/68/53/488246853.db2.gz PAWLFAFDFFMBCK-UHFFFAOYSA-N 1 0 242.366 3.838 20 0 BHADRO CCC1([NH2+]Cc2cc3ccccc3[nH]2)CCC1 ZINC000683929198 488246765 /nfs/dbraw/zinc/24/67/65/488246765.db2.gz QFRZWKGYRMAKDR-UHFFFAOYSA-N 1 0 228.339 3.590 20 0 BHADRO CC(C)C1(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929624 488246808 /nfs/dbraw/zinc/24/68/08/488246808.db2.gz UAJSZLOSBCPRPJ-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)C([NH2+]Cc1cc2ccccc2[nH]1)C(C)C ZINC000683929968 488246794 /nfs/dbraw/zinc/24/67/94/488246794.db2.gz ZHGIWFMUYHGPEO-UHFFFAOYSA-N 1 0 244.382 3.938 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@H]1CC12CCCC2 ZINC000683931194 488247428 /nfs/dbraw/zinc/24/74/28/488247428.db2.gz VGAOIZKZKXHPER-HNNXBMFYSA-N 1 0 240.350 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+][C@@H]1CC12CCCC2 ZINC000683931195 488247381 /nfs/dbraw/zinc/24/73/81/488247381.db2.gz VGAOIZKZKXHPER-OAHLLOKOSA-N 1 0 240.350 3.590 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683931225 488246316 /nfs/dbraw/zinc/24/63/16/488246316.db2.gz WQDJHFCJQOUONY-UHFFFAOYSA-N 1 0 244.382 3.940 20 0 BHADRO CC1(C)CC(C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683931227 487717937 /nfs/dbraw/zinc/71/79/37/487717937.db2.gz WURDYKHHIJALHY-UHFFFAOYSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)=CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683931325 488247330 /nfs/dbraw/zinc/24/73/30/488247330.db2.gz YUXLLSPQOWPGRE-UHFFFAOYSA-N 1 0 228.339 3.614 20 0 BHADRO CC1(C)CC([NH2+]CCCCOc2ccccc2)C1 ZINC000683938323 488248414 /nfs/dbraw/zinc/24/84/14/488248414.db2.gz CAILTSQPVGPYAD-UHFFFAOYSA-N 1 0 247.382 3.624 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000683940542 488248706 /nfs/dbraw/zinc/24/87/06/488248706.db2.gz CMMLBFZSSCJFIW-DZGCQCFKSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000683940543 488248798 /nfs/dbraw/zinc/24/87/98/488248798.db2.gz CMMLBFZSSCJFIW-HIFRSBDPSA-N 1 0 229.367 3.568 20 0 BHADRO CC1(C)CC([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000683940904 488248861 /nfs/dbraw/zinc/24/88/61/488248861.db2.gz YQXSVGPDSSYKND-CYBMUJFWSA-N 1 0 243.394 3.570 20 0 BHADRO CC1(C)CC([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000683940905 488248900 /nfs/dbraw/zinc/24/89/00/488248900.db2.gz YQXSVGPDSSYKND-ZDUSSCGKSA-N 1 0 243.394 3.570 20 0 BHADRO CC(C)OC1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000683941067 488248578 /nfs/dbraw/zinc/24/85/78/488248578.db2.gz POHLCVVQRIWQRW-UHFFFAOYSA-N 1 0 239.403 3.501 20 0 BHADRO FC1(c2ccccc2)CC[NH+](C2CCCC2)CC1 ZINC000683997979 488254250 /nfs/dbraw/zinc/25/42/50/488254250.db2.gz QLJZJPPQSNYZEC-UHFFFAOYSA-N 1 0 247.357 3.890 20 0 BHADRO CCCC[N@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000684018924 488255579 /nfs/dbraw/zinc/25/55/79/488255579.db2.gz CIZDHOJSDGBOLO-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684019128 488255506 /nfs/dbraw/zinc/25/55/06/488255506.db2.gz KTWYRZKWCJBJHI-GFCCVEGCSA-N 1 0 228.339 3.542 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684019129 488255667 /nfs/dbraw/zinc/25/56/67/488255667.db2.gz KTWYRZKWCJBJHI-LBPRGKRZSA-N 1 0 228.339 3.542 20 0 BHADRO CCC[NH+](CCC)Cc1cc2ccccc2[nH]1 ZINC000684019144 488255396 /nfs/dbraw/zinc/25/53/96/488255396.db2.gz LMQGEOQLXBTETL-UHFFFAOYSA-N 1 0 230.355 3.790 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684019195 488255173 /nfs/dbraw/zinc/25/51/73/488255173.db2.gz NQSNIYCJVGJJRU-HNNXBMFYSA-N 1 0 242.366 3.932 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684019196 488255533 /nfs/dbraw/zinc/25/55/33/488255533.db2.gz NQSNIYCJVGJJRU-OAHLLOKOSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684019263 488255538 /nfs/dbraw/zinc/25/55/38/488255538.db2.gz RSLDIWWDIJYPPS-BETUJISGSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684019264 488255186 /nfs/dbraw/zinc/25/51/86/488255186.db2.gz RSLDIWWDIJYPPS-CHWSQXEVSA-N 1 0 242.366 3.646 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684019265 488255447 /nfs/dbraw/zinc/25/54/47/488255447.db2.gz RSLDIWWDIJYPPS-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO CCC[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684019338 488255219 /nfs/dbraw/zinc/25/52/19/488255219.db2.gz DHTYBVYACZSDOZ-UHFFFAOYSA-N 1 0 228.339 3.542 20 0 BHADRO CCC[N@@H+](Cc1cc2ccccc2[nH]1)CC1CC1 ZINC000684019600 488255461 /nfs/dbraw/zinc/25/54/61/488255461.db2.gz XMDGYGJUTLMWKT-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC(C)C[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684019842 488255449 /nfs/dbraw/zinc/25/54/49/488255449.db2.gz DYFPBEZVQNDIRI-UHFFFAOYSA-N 1 0 242.366 3.788 20 0 BHADRO CC1(C)CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684020110 488255453 /nfs/dbraw/zinc/25/54/53/488255453.db2.gz GUCBZZFIHFXFAQ-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CCCC[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684020188 488255336 /nfs/dbraw/zinc/25/53/36/488255336.db2.gz WVBQOSKVATUJMO-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO CC[N@@H+](Cc1cc2ccccc2[nH]1)CC(C)C ZINC000684020252 488255376 /nfs/dbraw/zinc/25/53/76/488255376.db2.gz IQTPJEQNSRYNEM-UHFFFAOYSA-N 1 0 230.355 3.646 20 0 BHADRO 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242.366 3.646 20 0 BHADRO C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CC[C@@H]1C ZINC000684021643 488256476 /nfs/dbraw/zinc/25/64/76/488256476.db2.gz QTQTUNPLHSCYAE-STQMWFEESA-N 1 0 242.366 3.646 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021663 488256302 /nfs/dbraw/zinc/25/63/02/488256302.db2.gz ZNYSLLOFSBUBAX-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021667 488256240 /nfs/dbraw/zinc/25/62/40/488256240.db2.gz ZNYSLLOFSBUBAX-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO CC(C)[N@H+](Cc1cc2ccccc2[nH]1)C1CCC1 ZINC000684021793 488256199 /nfs/dbraw/zinc/25/61/99/488256199.db2.gz UTOSNMDSZFKHFP-UHFFFAOYSA-N 1 0 242.366 3.931 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021800 488256124 /nfs/dbraw/zinc/25/61/24/488256124.db2.gz BWGCYBORNAFQBX-AWEZNQCLSA-N 1 0 242.366 3.646 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021801 488256105 /nfs/dbraw/zinc/25/61/05/488256105.db2.gz 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ZINC000684022234 487741752 /nfs/dbraw/zinc/74/17/52/487741752.db2.gz HYIXPUXKPYWTGX-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000684022902 488256658 /nfs/dbraw/zinc/25/66/58/488256658.db2.gz PRYFAZMWJSZKOW-INIZCTEOSA-N 1 0 240.350 3.542 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000684022905 488257105 /nfs/dbraw/zinc/25/71/05/488257105.db2.gz PRYFAZMWJSZKOW-MRXNPFEDSA-N 1 0 240.350 3.542 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000684022965 488257124 /nfs/dbraw/zinc/25/71/24/488257124.db2.gz QRQDTXGCNGINAL-UHFFFAOYSA-N 1 0 230.355 3.788 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CCCC2(CC2)C1 ZINC000684023680 488257062 /nfs/dbraw/zinc/25/70/62/488257062.db2.gz AFQIXXIZVYOHEY-UHFFFAOYSA-N 1 0 240.350 3.544 20 0 BHADRO C[N@H+](Cc1cc2ccccc2[nH]1)C1(C)CCCC1 ZINC000684023698 488256851 /nfs/dbraw/zinc/25/68/51/488256851.db2.gz CBZTWAGRMNEMBR-UHFFFAOYSA-N 1 0 242.366 3.932 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684023748 488256970 /nfs/dbraw/zinc/25/69/70/488256970.db2.gz BLUSNPNWKNEZSA-CYBMUJFWSA-N 1 0 242.366 3.790 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684023751 488256828 /nfs/dbraw/zinc/25/68/28/488256828.db2.gz BLUSNPNWKNEZSA-ZDUSSCGKSA-N 1 0 242.366 3.790 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024921 488256998 /nfs/dbraw/zinc/25/69/98/488256998.db2.gz HZHDCYIFEAIKTC-BLLLJJGKSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024922 488256991 /nfs/dbraw/zinc/25/69/91/488256991.db2.gz HZHDCYIFEAIKTC-LRDDRELGSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024923 488256604 /nfs/dbraw/zinc/25/66/04/488256604.db2.gz HZHDCYIFEAIKTC-MLGOLLRUSA-N 1 0 242.366 3.788 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684024924 488257142 /nfs/dbraw/zinc/25/71/42/488257142.db2.gz HZHDCYIFEAIKTC-WBMJQRKESA-N 1 0 242.366 3.788 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc2ccccc2[nH]1 ZINC000684025127 488256780 /nfs/dbraw/zinc/25/67/80/488256780.db2.gz MSVJSQGIEZYBRG-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO c1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000684025186 488256743 /nfs/dbraw/zinc/25/67/43/488256743.db2.gz NKGUMJQLWJLAIF-BLLLJJGKSA-N 1 0 240.350 3.542 20 0 BHADRO FC1(C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000684358345 488299674 /nfs/dbraw/zinc/29/96/74/488299674.db2.gz LLHBYAAUODFBRX-UHFFFAOYSA-N 1 0 225.351 3.535 20 0 BHADRO CC1(C)C[N@H+](CC2(F)CC2)[C@@H]1c1ccccc1 ZINC000684358483 488300552 /nfs/dbraw/zinc/30/05/52/488300552.db2.gz ZLXPSAUBMCPZFP-CYBMUJFWSA-N 1 0 233.330 3.572 20 0 BHADRO CC1(C)C[N@H+](CC2(F)CC2)[C@H]1c1ccccc1 ZINC000684358484 488300452 /nfs/dbraw/zinc/30/04/52/488300452.db2.gz ZLXPSAUBMCPZFP-ZDUSSCGKSA-N 1 0 233.330 3.572 20 0 BHADRO Cc1ccc(CCC[N@@H+](C(C)C)C2CCC2)cn1 ZINC000684361558 488301319 /nfs/dbraw/zinc/30/13/19/488301319.db2.gz UKKUOKHUTMOWNC-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000684377271 488302915 /nfs/dbraw/zinc/30/29/15/488302915.db2.gz OPMKRPLMXFTHHH-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000684377272 488302809 /nfs/dbraw/zinc/30/28/09/488302809.db2.gz OPMKRPLMXFTHHH-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000684377273 488302955 /nfs/dbraw/zinc/30/29/55/488302955.db2.gz OPMKRPLMXFTHHH-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCCCC(C)(C)C)C1 ZINC000684377274 488302802 /nfs/dbraw/zinc/30/28/02/488302802.db2.gz OPMKRPLMXFTHHH-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1ccc(CCC[NH2+]C(C(C)C)C(C)C)cn1 ZINC000684385830 488303605 /nfs/dbraw/zinc/30/36/05/488303605.db2.gz MXFABPQFGJUCKU-UHFFFAOYSA-N 1 0 248.414 3.593 20 0 BHADRO CC(C)C1C[NH+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000684407654 488307570 /nfs/dbraw/zinc/30/75/70/488307570.db2.gz AZHAPKKBFFUNGD-CYBMUJFWSA-N 1 0 249.373 3.735 20 0 BHADRO CC(C)C1C[NH+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000684407656 488307519 /nfs/dbraw/zinc/30/75/19/488307519.db2.gz AZHAPKKBFFUNGD-ZDUSSCGKSA-N 1 0 249.373 3.735 20 0 BHADRO C/C(=C\c1ccccc1)C[NH+]1CC(C(C)C)C1 ZINC000684407810 488307356 /nfs/dbraw/zinc/30/73/56/488307356.db2.gz DEOHYXHTRZVFID-NTEUORMPSA-N 1 0 229.367 3.678 20 0 BHADRO C/C(=C/c1ccccc1)C[NH+]1CC(C(C)C)C1 ZINC000684407812 488307312 /nfs/dbraw/zinc/30/73/12/488307312.db2.gz DEOHYXHTRZVFID-ZROIWOOFSA-N 1 0 229.367 3.678 20 0 BHADRO CC(C)C1C[NH+](Cc2coc3ccccc23)C1 ZINC000684408186 488307913 /nfs/dbraw/zinc/30/79/13/488307913.db2.gz GFGQGOBKROKINS-UHFFFAOYSA-N 1 0 229.323 3.521 20 0 BHADRO CC(C)C1C[NH+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000684408507 488307763 /nfs/dbraw/zinc/30/77/63/488307763.db2.gz RCZYCNIKXGWGAN-GFCCVEGCSA-N 1 0 235.346 3.517 20 0 BHADRO CC(C)C1C[NH+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000684408509 488307821 /nfs/dbraw/zinc/30/78/21/488307821.db2.gz RCZYCNIKXGWGAN-LBPRGKRZSA-N 1 0 235.346 3.517 20 0 BHADRO CC(C)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC000684408514 488308011 /nfs/dbraw/zinc/30/80/11/488308011.db2.gz RGIGULATKFQLFC-UHFFFAOYSA-N 1 0 229.367 3.652 20 0 BHADRO CC(C)Oc1cccc(C[NH+]2CC(C(C)C)C2)c1 ZINC000684408628 488307958 /nfs/dbraw/zinc/30/79/58/488307958.db2.gz KWOXJCWXXKLIEJ-UHFFFAOYSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccc(C[NH+]2CC(C(C)C)C2)cc1 ZINC000684408646 488308027 /nfs/dbraw/zinc/30/80/27/488308027.db2.gz LMDGQMIKBHCTKS-UHFFFAOYSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)Oc1ccccc1C[NH+]1CC(C(C)C)C1 ZINC000684408747 487872393 /nfs/dbraw/zinc/87/23/93/487872393.db2.gz NWPJIKROJKJVOA-UHFFFAOYSA-N 1 0 247.382 3.562 20 0 BHADRO CCCOc1cccc(C[NH+]2CC(C(C)C)C2)c1 ZINC000684409096 488308479 /nfs/dbraw/zinc/30/84/79/488308479.db2.gz PPAWPYLBMBNPRK-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CC(C)C1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000684409228 488308451 /nfs/dbraw/zinc/30/84/51/488308451.db2.gz RSPPCRQNQARZAG-UHFFFAOYSA-N 1 0 239.309 3.712 20 0 BHADRO CC(C)C1C[NH+](CC[C@H](C)c2ccccc2)C1 ZINC000684409413 488308551 /nfs/dbraw/zinc/30/85/51/488308551.db2.gz VLXXMIAYAPOBGM-AWEZNQCLSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)C1C[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC000684409415 488308613 /nfs/dbraw/zinc/30/86/13/488308613.db2.gz VLXXMIAYAPOBGM-CQSZACIVSA-N 1 0 231.383 3.768 20 0 BHADRO CC(C)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC000684409520 488308269 /nfs/dbraw/zinc/30/82/69/488308269.db2.gz XAUOEDKWPUVDNN-UHFFFAOYSA-N 1 0 229.323 3.521 20 0 BHADRO CC(C)C1C[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000684409585 488308559 /nfs/dbraw/zinc/30/85/59/488308559.db2.gz YLZKJJCNUOTFHW-UHFFFAOYSA-N 1 0 247.313 3.660 20 0 BHADRO CCCOc1ccc(C[NH+]2CC(C(C)C)C2)cc1 ZINC000684409586 488308587 /nfs/dbraw/zinc/30/85/87/488308587.db2.gz YOCLSEWPWIDSCZ-UHFFFAOYSA-N 1 0 247.382 3.563 20 0 BHADRO CC(C)C1C[NH+](CC(C)(C)c2ccccc2)C1 ZINC000684409606 488308252 /nfs/dbraw/zinc/30/82/52/488308252.db2.gz ZVSJVTKZQCHGHV-UHFFFAOYSA-N 1 0 231.383 3.552 20 0 BHADRO CC1(CC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000684409744 488308391 /nfs/dbraw/zinc/30/83/91/488308391.db2.gz BSGDVMFOKHUMOR-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(CC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000684409817 488308388 /nfs/dbraw/zinc/30/83/88/488308388.db2.gz GULDZMYIXFVULY-UHFFFAOYSA-N 1 0 229.367 3.844 20 0 BHADRO CC(C)(C[NH2+]CCC1(C)CC1)c1ccccc1 ZINC000684410069 488308523 /nfs/dbraw/zinc/30/85/23/488308523.db2.gz TZVYQEJEDCZTFR-UHFFFAOYSA-N 1 0 231.383 3.744 20 0 BHADRO CC1(CC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000684410160 488308549 /nfs/dbraw/zinc/30/85/49/488308549.db2.gz WTKUPJKAERCTTJ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(CC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000684410254 488308400 /nfs/dbraw/zinc/30/84/00/488308400.db2.gz YXKOJGKTXBKLQF-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccccc1C1CC1 ZINC000684410776 488308197 /nfs/dbraw/zinc/30/81/97/488308197.db2.gz ADQKSVOTSOQZGT-RYUDHWBXSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccccc1C1CC1 ZINC000684410778 488308354 /nfs/dbraw/zinc/30/83/54/488308354.db2.gz ADQKSVOTSOQZGT-TXEJJXNPSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccccc1C1CC1 ZINC000684410779 488308606 /nfs/dbraw/zinc/30/86/06/488308606.db2.gz ADQKSVOTSOQZGT-VXGBXAGGSA-N 1 0 215.340 3.547 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)C(F)F)[C@@H](C)c1ccccc1 ZINC000684413679 488309344 /nfs/dbraw/zinc/30/93/44/488309344.db2.gz VRSHKLKTSGTXIU-GHMZBOCLSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@H]([NH2+]C(C)(C)C(F)F)[C@@H](C)c1ccccc1 ZINC000684413680 488309621 /nfs/dbraw/zinc/30/96/21/488309621.db2.gz VRSHKLKTSGTXIU-MNOVXSKESA-N 1 0 241.325 3.812 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000684413681 488309461 /nfs/dbraw/zinc/30/94/61/488309461.db2.gz VRSHKLKTSGTXIU-QWRGUYRKSA-N 1 0 241.325 3.812 20 0 BHADRO C[C@@H]([NH2+]C(C)(C)C(F)F)[C@H](C)c1ccccc1 ZINC000684413682 488309668 /nfs/dbraw/zinc/30/96/68/488309668.db2.gz VRSHKLKTSGTXIU-WDEREUQCSA-N 1 0 241.325 3.812 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+]C(C)(C)C(F)F ZINC000684414650 488309761 /nfs/dbraw/zinc/30/97/61/488309761.db2.gz MKWYALLTJVIIJB-GFCCVEGCSA-N 1 0 241.325 3.641 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+]C(C)(C)C(F)F ZINC000684414651 488309767 /nfs/dbraw/zinc/30/97/67/488309767.db2.gz MKWYALLTJVIIJB-LBPRGKRZSA-N 1 0 241.325 3.641 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000684426542 488311134 /nfs/dbraw/zinc/31/11/34/488311134.db2.gz NGRAWLRXZOVKFZ-CHWSQXEVSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000684426543 488311039 /nfs/dbraw/zinc/31/10/39/488311039.db2.gz NGRAWLRXZOVKFZ-OLZOCXBDSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000684426544 488311046 /nfs/dbraw/zinc/31/10/46/488311046.db2.gz NGRAWLRXZOVKFZ-QWHCGFSZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000684426545 488311130 /nfs/dbraw/zinc/31/11/30/488311130.db2.gz NGRAWLRXZOVKFZ-STQMWFEESA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CCCc1ccccc1F ZINC000684426564 487898555 /nfs/dbraw/zinc/89/85/55/487898555.db2.gz OMMJRAQSTUCUED-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CCCc1ccccc1F ZINC000684426565 487898659 /nfs/dbraw/zinc/89/86/59/487898659.db2.gz OMMJRAQSTUCUED-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1cccc(C[NH+]2CCC(F)(F)CC2)c1C ZINC000684428226 488311641 /nfs/dbraw/zinc/31/16/41/488311641.db2.gz CPFVHFQUTSHHFO-UHFFFAOYSA-N 1 0 239.309 3.535 20 0 BHADRO Cc1cc(C)cc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000684428268 488311658 /nfs/dbraw/zinc/31/16/58/488311658.db2.gz FLBFBNMUGUCWJF-UHFFFAOYSA-N 1 0 239.309 3.535 20 0 BHADRO CC[N@@H+](Cc1cc2ccccc2[nH]1)CC1CCC1 ZINC000684428968 488311794 /nfs/dbraw/zinc/31/17/94/488311794.db2.gz OUAYSTGJWZFVFT-UHFFFAOYSA-N 1 0 242.366 3.790 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000684429455 488311878 /nfs/dbraw/zinc/31/18/78/488311878.db2.gz XGKJEJINAKRONW-AWEZNQCLSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000684429456 488311973 /nfs/dbraw/zinc/31/19/73/488311973.db2.gz XGKJEJINAKRONW-CQSZACIVSA-N 1 0 247.382 3.650 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000684558045 488327234 /nfs/dbraw/zinc/32/72/34/488327234.db2.gz XKRIYAGVFUOSPK-AVERBVTBSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(C)CCC(C)CC1 ZINC000684558046 487938446 /nfs/dbraw/zinc/93/84/46/487938446.db2.gz XKRIYAGVFUOSPK-MQYJIDSJSA-N 1 0 249.402 3.585 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2(C)CC2)c(C)n1 ZINC000684559094 488327139 /nfs/dbraw/zinc/32/71/39/488327139.db2.gz FCCFBBSLIMEIOW-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2(C)CC2)c(C)n1 ZINC000684559105 488327073 /nfs/dbraw/zinc/32/70/73/488327073.db2.gz FCCFBBSLIMEIOW-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c(C)n1 ZINC000684560931 488327491 /nfs/dbraw/zinc/32/74/91/488327491.db2.gz UYBYRCLWWABMEZ-CORIIIEPSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c(C)n1 ZINC000684560932 488327456 /nfs/dbraw/zinc/32/74/56/488327456.db2.gz UYBYRCLWWABMEZ-OSAQELSMSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c(C)n1 ZINC000684560933 488327548 /nfs/dbraw/zinc/32/75/48/488327548.db2.gz UYBYRCLWWABMEZ-WHOFXGATSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c(C)n1 ZINC000684560934 487939253 /nfs/dbraw/zinc/93/92/53/487939253.db2.gz UYBYRCLWWABMEZ-ZLDLUXBVSA-N 1 0 246.398 3.785 20 0 BHADRO CCC(CC)Nc1cc[nH+]c2c(O)cccc12 ZINC000684564798 488327586 /nfs/dbraw/zinc/32/75/86/488327586.db2.gz AZCLPHOJZNESHJ-UHFFFAOYSA-N 1 0 230.311 3.541 20 0 BHADRO CC(C)=CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000684599308 488330476 /nfs/dbraw/zinc/33/04/76/488330476.db2.gz IZKNCLIEHRPGLU-UHFFFAOYSA-N 1 0 245.341 3.881 20 0 BHADRO C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000684611604 488331586 /nfs/dbraw/zinc/33/15/86/488331586.db2.gz IPZRJALFUXRBHT-BLLLJJGKSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000684611605 488331651 /nfs/dbraw/zinc/33/16/51/488331651.db2.gz IPZRJALFUXRBHT-LRDDRELGSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000684611606 488331618 /nfs/dbraw/zinc/33/16/18/488331618.db2.gz IPZRJALFUXRBHT-MLGOLLRUSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000684611607 488331496 /nfs/dbraw/zinc/33/14/96/488331496.db2.gz IPZRJALFUXRBHT-WBMJQRKESA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1cocn1 ZINC000684613207 488332201 /nfs/dbraw/zinc/33/22/01/488332201.db2.gz DBYCYVPRRZNJHM-CYBMUJFWSA-N 1 0 236.359 3.537 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1cocn1 ZINC000684613211 488331950 /nfs/dbraw/zinc/33/19/50/488331950.db2.gz DBYCYVPRRZNJHM-ZDUSSCGKSA-N 1 0 236.359 3.537 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)C(C)(C)O ZINC000684613244 488331983 /nfs/dbraw/zinc/33/19/83/488331983.db2.gz DUJBGFFJIIYZPK-KBPBESRZSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H](C)C(C)(C)O ZINC000684613245 488332144 /nfs/dbraw/zinc/33/21/44/488332144.db2.gz DUJBGFFJIIYZPK-KGLIPLIRSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)C(C)(C)O ZINC000684613246 488332311 /nfs/dbraw/zinc/33/23/11/488332311.db2.gz DUJBGFFJIIYZPK-UONOGXRCSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+][C@H](C)C(C)(C)O ZINC000684613247 488332102 /nfs/dbraw/zinc/33/21/02/488332102.db2.gz DUJBGFFJIIYZPK-ZIAGYGMSSA-N 1 0 241.419 3.508 20 0 BHADRO CC(C)=CCC[C@H](C)CC[N@H+](C)Cc1cn[nH]c1 ZINC000684613371 488332196 /nfs/dbraw/zinc/33/21/96/488332196.db2.gz PYNRZFXLSRFQBO-AWEZNQCLSA-N 1 0 249.402 3.614 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[N@H+](C)Cc1cn[nH]c1 ZINC000684613372 488332044 /nfs/dbraw/zinc/33/20/44/488332044.db2.gz PYNRZFXLSRFQBO-CQSZACIVSA-N 1 0 249.402 3.614 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1cc(C)n[nH]1 ZINC000684613799 488332227 /nfs/dbraw/zinc/33/22/27/488332227.db2.gz MKUOYIANOWXKNI-CYBMUJFWSA-N 1 0 249.402 3.580 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1cc(C)n[nH]1 ZINC000684613800 488332273 /nfs/dbraw/zinc/33/22/73/488332273.db2.gz MKUOYIANOWXKNI-ZDUSSCGKSA-N 1 0 249.402 3.580 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cscc2Cl)CC1 ZINC000684614430 488332067 /nfs/dbraw/zinc/33/20/67/488332067.db2.gz KTXKYEVVEJTXGB-UHFFFAOYSA-N 1 0 241.787 3.944 20 0 BHADRO CC1=C(C)C[N@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684614567 488332155 /nfs/dbraw/zinc/33/21/55/488332155.db2.gz OKEJHVXBAHRKGV-UHFFFAOYSA-N 1 0 240.350 3.710 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC000684623465 488334829 /nfs/dbraw/zinc/33/48/29/488334829.db2.gz BRUSYPJUGUJNBC-GFCCVEGCSA-N 1 0 239.309 3.787 20 0 BHADRO Cc1ccccc1[C@H](C)[NH+]1CCC(F)(F)CC1 ZINC000684623466 487948670 /nfs/dbraw/zinc/94/86/70/487948670.db2.gz BRUSYPJUGUJNBC-LBPRGKRZSA-N 1 0 239.309 3.787 20 0 BHADRO CC[C@H](c1ccccc1)[NH+]1CCC(F)(F)CC1 ZINC000684623775 488334521 /nfs/dbraw/zinc/33/45/21/488334521.db2.gz HEWGSVQAUFYSSW-CYBMUJFWSA-N 1 0 239.309 3.869 20 0 BHADRO CC[C@@H](c1ccccc1)[NH+]1CCC(F)(F)CC1 ZINC000684623776 488334773 /nfs/dbraw/zinc/33/47/73/488334773.db2.gz HEWGSVQAUFYSSW-ZDUSSCGKSA-N 1 0 239.309 3.869 20 0 BHADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(F)(F)CC1 ZINC000684623878 488334526 /nfs/dbraw/zinc/33/45/26/488334526.db2.gz JXJGZHIHOBQQNX-JTQLQIEISA-N 1 0 243.272 3.618 20 0 BHADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(F)(F)CC1 ZINC000684623879 488334448 /nfs/dbraw/zinc/33/44/48/488334448.db2.gz JXJGZHIHOBQQNX-SNVBAGLBSA-N 1 0 243.272 3.618 20 0 BHADRO C[N@H+](CCCOC(C)(C)C)[C@@H]1CCC(C)(C)C1 ZINC000684624781 488334510 /nfs/dbraw/zinc/33/45/10/488334510.db2.gz CXMMTEQKRQFFFF-CYBMUJFWSA-N 1 0 241.419 3.702 20 0 BHADRO C[N@H+](CCCOC(C)(C)C)[C@H]1CCC(C)(C)C1 ZINC000684624782 488334396 /nfs/dbraw/zinc/33/43/96/488334396.db2.gz CXMMTEQKRQFFFF-ZDUSSCGKSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684624816 488334470 /nfs/dbraw/zinc/33/44/70/488334470.db2.gz XNTWHOPBJHQVOK-JTQLQIEISA-N 1 0 243.272 3.618 20 0 BHADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000684624817 488334747 /nfs/dbraw/zinc/33/47/47/488334747.db2.gz XNTWHOPBJHQVOK-SNVBAGLBSA-N 1 0 243.272 3.618 20 0 BHADRO CC(C)(C)CCC[NH+]1CCC(F)(F)CC1 ZINC000684625777 488335173 /nfs/dbraw/zinc/33/51/73/488335173.db2.gz HUKMGNCDTNXUMY-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000684627506 488335477 /nfs/dbraw/zinc/33/54/77/488335477.db2.gz BXOUNHGLEUXFJA-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000684627507 488335237 /nfs/dbraw/zinc/33/52/37/488335237.db2.gz BXOUNHGLEUXFJA-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1 ZINC000684627685 488335205 /nfs/dbraw/zinc/33/52/05/488335205.db2.gz GKFUSWXXLXWMKR-AWEZNQCLSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000684627686 488335611 /nfs/dbraw/zinc/33/56/11/488335611.db2.gz GKFUSWXXLXWMKR-CQSZACIVSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000684628051 488335941 /nfs/dbraw/zinc/33/59/41/488335941.db2.gz LUYRDZWIKUXRIM-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000684628054 488335944 /nfs/dbraw/zinc/33/59/44/488335944.db2.gz LUYRDZWIKUXRIM-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000684628056 488335807 /nfs/dbraw/zinc/33/58/07/488335807.db2.gz LUYRDZWIKUXRIM-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000684628058 488335582 /nfs/dbraw/zinc/33/55/82/488335582.db2.gz LUYRDZWIKUXRIM-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO CC1=C(C)C[N@@H+]([C@H]2CCc3ccccc32)CC1 ZINC000684629541 488335794 /nfs/dbraw/zinc/33/57/94/488335794.db2.gz SSTJUFFEPMRSNR-INIZCTEOSA-N 1 0 227.351 3.716 20 0 BHADRO CC1=C(C)C[N@@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000684629542 488335787 /nfs/dbraw/zinc/33/57/87/488335787.db2.gz SSTJUFFEPMRSNR-MRXNPFEDSA-N 1 0 227.351 3.716 20 0 BHADRO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C2CCCC2)C1 ZINC000684629961 488335543 /nfs/dbraw/zinc/33/55/43/488335543.db2.gz MPPJHLILPPFQLN-INIZCTEOSA-N 1 0 247.357 3.732 20 0 BHADRO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C2CCCC2)C1 ZINC000684629962 488335997 /nfs/dbraw/zinc/33/59/97/488335997.db2.gz MPPJHLILPPFQLN-MRXNPFEDSA-N 1 0 247.357 3.732 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000684669396 488337422 /nfs/dbraw/zinc/33/74/22/488337422.db2.gz IQIVNGPUVZIDEH-BLLLJJGKSA-N 1 0 227.351 3.572 20 0 BHADRO CC1=C[C@H](C)C[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000684669397 488337595 /nfs/dbraw/zinc/33/75/95/488337595.db2.gz IQIVNGPUVZIDEH-LRDDRELGSA-N 1 0 227.351 3.572 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000684669398 488337645 /nfs/dbraw/zinc/33/76/45/488337645.db2.gz IQIVNGPUVZIDEH-MLGOLLRUSA-N 1 0 227.351 3.572 20 0 BHADRO CC1=C[C@@H](C)C[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000684669399 488337503 /nfs/dbraw/zinc/33/75/03/488337503.db2.gz IQIVNGPUVZIDEH-WBMJQRKESA-N 1 0 227.351 3.572 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000684678625 488338564 /nfs/dbraw/zinc/33/85/64/488338564.db2.gz QEFNNRANLOUPIN-LOWDOPEQSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000684678626 488338809 /nfs/dbraw/zinc/33/88/09/488338809.db2.gz QEFNNRANLOUPIN-QNWHQSFQSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000684678627 488338961 /nfs/dbraw/zinc/33/89/61/488338961.db2.gz QEFNNRANLOUPIN-RNJOBUHISA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000684678628 488338822 /nfs/dbraw/zinc/33/88/22/488338822.db2.gz QEFNNRANLOUPIN-UMSGYPCISA-N 1 0 245.357 3.979 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684682800 488338838 /nfs/dbraw/zinc/33/88/38/488338838.db2.gz CBUFBTDIKNXGKJ-GFCCVEGCSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684682801 488338849 /nfs/dbraw/zinc/33/88/49/488338849.db2.gz CBUFBTDIKNXGKJ-LBPRGKRZSA-N 1 0 240.350 3.566 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2cscc2Cl)C1 ZINC000684683656 488338923 /nfs/dbraw/zinc/33/89/23/488338923.db2.gz RXCPRBIFMZDNCR-SECBINFHSA-N 1 0 241.787 3.800 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2cscc2Cl)C1 ZINC000684683659 488338936 /nfs/dbraw/zinc/33/89/36/488338936.db2.gz RXCPRBIFMZDNCR-VIFPVBQESA-N 1 0 241.787 3.800 20 0 BHADRO CC[C@H]([NH2+]CCF)c1cccc2ccccc21 ZINC000684773291 488341491 /nfs/dbraw/zinc/34/14/91/488341491.db2.gz HFDPAVOSVDHCNL-HNNXBMFYSA-N 1 0 231.314 3.850 20 0 BHADRO CC[C@@H]([NH2+]CCF)c1cccc2ccccc21 ZINC000684773292 488341505 /nfs/dbraw/zinc/34/15/05/488341505.db2.gz HFDPAVOSVDHCNL-OAHLLOKOSA-N 1 0 231.314 3.850 20 0 BHADRO CC1=CCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000684800201 488343412 /nfs/dbraw/zinc/34/34/12/488343412.db2.gz IODDFVRFWYPDNN-UHFFFAOYSA-N 1 0 227.351 3.716 20 0 BHADRO CC1=CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000684800319 488343593 /nfs/dbraw/zinc/34/35/93/488343593.db2.gz NVPDUMALJVLUQL-UHFFFAOYSA-N 1 0 229.367 3.616 20 0 BHADRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684931789 488353692 /nfs/dbraw/zinc/35/36/92/488353692.db2.gz FKLJCDGUZKHZIJ-GXTWGEPZSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684931796 488353718 /nfs/dbraw/zinc/35/37/18/488353718.db2.gz FKLJCDGUZKHZIJ-JSGCOSHPSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684931799 488353606 /nfs/dbraw/zinc/35/36/06/488353606.db2.gz FKLJCDGUZKHZIJ-OCCSQVGLSA-N 1 0 242.366 3.694 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684931802 488353582 /nfs/dbraw/zinc/35/35/82/488353582.db2.gz FKLJCDGUZKHZIJ-TZMCWYRMSA-N 1 0 242.366 3.694 20 0 BHADRO CC(C)C([NH2+][C@H]1CCCc2cccnc21)C(C)C ZINC000684959569 487475897 /nfs/dbraw/zinc/47/58/97/487475897.db2.gz PGFQZWSVEWOGMO-AWEZNQCLSA-N 1 0 246.398 3.729 20 0 BHADRO CC(C)C([NH2+][C@@H]1CCCc2cccnc21)C(C)C ZINC000684959572 487475795 /nfs/dbraw/zinc/47/57/95/487475795.db2.gz PGFQZWSVEWOGMO-CQSZACIVSA-N 1 0 246.398 3.729 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c(C)n1 ZINC000684963248 487475789 /nfs/dbraw/zinc/47/57/89/487475789.db2.gz PRVXGLIJZPWJRB-CORIIIEPSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c(C)n1 ZINC000684963249 487476091 /nfs/dbraw/zinc/47/60/91/487476091.db2.gz PRVXGLIJZPWJRB-OSAQELSMSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c(C)n1 ZINC000684963250 487475946 /nfs/dbraw/zinc/47/59/46/487475946.db2.gz PRVXGLIJZPWJRB-WHOFXGATSA-N 1 0 246.398 3.785 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)c(C)n1 ZINC000684963251 487476044 /nfs/dbraw/zinc/47/60/44/487476044.db2.gz PRVXGLIJZPWJRB-ZLDLUXBVSA-N 1 0 246.398 3.785 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@H](C)CC(C)C ZINC000685000008 487487954 /nfs/dbraw/zinc/48/79/54/487487954.db2.gz BFDFBJKZWRBMMK-LLVKDONJSA-N 1 0 239.325 3.943 20 0 BHADRO CC[N@H+](CCC(F)(F)F)C[C@@H](C)CC(C)C ZINC000685000009 487487917 /nfs/dbraw/zinc/48/79/17/487487917.db2.gz BFDFBJKZWRBMMK-NSHDSACASA-N 1 0 239.325 3.943 20 0 BHADRO CC(C)CC[N@H+](C)CCCCC1CCOCC1 ZINC000685000901 487488993 /nfs/dbraw/zinc/48/89/93/487488993.db2.gz VXPRZGOHGMQPHU-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000685001245 487489072 /nfs/dbraw/zinc/48/90/72/487489072.db2.gz VBPLSZVJVYXSAE-KBPBESRZSA-N 1 0 235.371 3.751 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000685001246 487489536 /nfs/dbraw/zinc/48/95/36/487489536.db2.gz VBPLSZVJVYXSAE-KGLIPLIRSA-N 1 0 235.371 3.751 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000685001247 487489033 /nfs/dbraw/zinc/48/90/33/487489033.db2.gz VBPLSZVJVYXSAE-UONOGXRCSA-N 1 0 235.371 3.751 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000685001248 487488743 /nfs/dbraw/zinc/48/87/43/487488743.db2.gz VBPLSZVJVYXSAE-ZIAGYGMSSA-N 1 0 235.371 3.751 20 0 BHADRO CC(C)C[C@H](C)C[NH+]1CCC(OC(C)C)CC1 ZINC000685001267 487488757 /nfs/dbraw/zinc/48/87/57/487488757.db2.gz WLRALJISXKPANS-AWEZNQCLSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)C[C@@H](C)C[NH+]1CCC(OC(C)C)CC1 ZINC000685001268 487488916 /nfs/dbraw/zinc/48/89/16/487488916.db2.gz WLRALJISXKPANS-CQSZACIVSA-N 1 0 241.419 3.558 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000685002088 487489251 /nfs/dbraw/zinc/48/92/51/487489251.db2.gz URUIYOXAMQSTNX-GDBMZVCRSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000685002089 487488703 /nfs/dbraw/zinc/48/87/03/487488703.db2.gz URUIYOXAMQSTNX-GOEBONIOSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000685002090 487489427 /nfs/dbraw/zinc/48/94/27/487489427.db2.gz URUIYOXAMQSTNX-HOCLYGCPSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000685002091 487488713 /nfs/dbraw/zinc/48/87/13/487488713.db2.gz URUIYOXAMQSTNX-ZBFHGGJFSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)C[C@@H](C)C[N@H+](C)Cc1cccc(O)c1 ZINC000685002176 487488679 /nfs/dbraw/zinc/48/86/79/487488679.db2.gz YOBQSBZKRDEJQK-CYBMUJFWSA-N 1 0 235.371 3.506 20 0 BHADRO CC(C)C[C@H](C)C[N@H+](C)Cc1cccc(O)c1 ZINC000685002177 487488787 /nfs/dbraw/zinc/48/87/87/487488787.db2.gz YOBQSBZKRDEJQK-ZDUSSCGKSA-N 1 0 235.371 3.506 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000685003613 487490730 /nfs/dbraw/zinc/49/07/30/487490730.db2.gz HMQAADGIWLOXJZ-GHMZBOCLSA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000685003614 487490596 /nfs/dbraw/zinc/49/05/96/487490596.db2.gz HMQAADGIWLOXJZ-MNOVXSKESA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000685003615 487490051 /nfs/dbraw/zinc/49/00/51/487490051.db2.gz HMQAADGIWLOXJZ-QWRGUYRKSA-N 1 0 237.309 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000685003616 487490485 /nfs/dbraw/zinc/49/04/85/487490485.db2.gz HMQAADGIWLOXJZ-WDEREUQCSA-N 1 0 237.309 3.553 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000685003807 487490561 /nfs/dbraw/zinc/49/05/61/487490561.db2.gz SDVTYNOFJXASRM-GXTWGEPZSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000685003808 487490628 /nfs/dbraw/zinc/49/06/28/487490628.db2.gz SDVTYNOFJXASRM-JSGCOSHPSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000685003809 487490356 /nfs/dbraw/zinc/49/03/56/487490356.db2.gz SDVTYNOFJXASRM-OCCSQVGLSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000685003810 487491419 /nfs/dbraw/zinc/49/14/19/487491419.db2.gz SDVTYNOFJXASRM-TZMCWYRMSA-N 1 0 234.387 3.723 20 0 BHADRO CCn1ccc(C[N@H+](C)C[C@@H](C)CC(C)C)c1 ZINC000685004924 487491613 /nfs/dbraw/zinc/49/16/13/487491613.db2.gz VZNXKNRWPBJBQY-AWEZNQCLSA-N 1 0 236.403 3.622 20 0 BHADRO CCn1ccc(C[N@H+](C)C[C@H](C)CC(C)C)c1 ZINC000685004925 487491492 /nfs/dbraw/zinc/49/14/92/487491492.db2.gz VZNXKNRWPBJBQY-CQSZACIVSA-N 1 0 236.403 3.622 20 0 BHADRO C[N@H+](CC1CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054436 487497200 /nfs/dbraw/zinc/49/72/00/487497200.db2.gz BEGUVARDEJAMBG-TXEJJXNPSA-N 1 0 249.320 3.839 20 0 BHADRO CCc1ccc(C[N@H+](C2CC2)C2CCCC2)cn1 ZINC000685409925 487516491 /nfs/dbraw/zinc/51/64/91/487516491.db2.gz JFBQYNZJDKJPSN-UHFFFAOYSA-N 1 0 244.382 3.551 20 0 BHADRO c1cc2cc(C[N@@H+]3CCC[C@H]3C3CC3)ccc2o1 ZINC000685416220 487518512 /nfs/dbraw/zinc/51/85/12/487518512.db2.gz HKOAHSDIEDFVIZ-HNNXBMFYSA-N 1 0 241.334 3.807 20 0 BHADRO c1cc2cc(C[N@@H+]3CCC[C@@H]3C3CC3)ccc2o1 ZINC000685416221 487519014 /nfs/dbraw/zinc/51/90/14/487519014.db2.gz HKOAHSDIEDFVIZ-OAHLLOKOSA-N 1 0 241.334 3.807 20 0 BHADRO CCC(=O)CCC[N@H+](CC(C)C)CC(C)(C)C ZINC000685417971 487518962 /nfs/dbraw/zinc/51/89/62/487518962.db2.gz NMJQLFXIUWLULS-UHFFFAOYSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](C)C[N@H+](CC)CCCc1cnccc1C ZINC000685419701 487518544 /nfs/dbraw/zinc/51/85/44/487518544.db2.gz KTADEWDHOBROER-AWEZNQCLSA-N 1 0 248.414 3.691 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)CCCc1cnccc1C ZINC000685419702 487518562 /nfs/dbraw/zinc/51/85/62/487518562.db2.gz KTADEWDHOBROER-CQSZACIVSA-N 1 0 248.414 3.691 20 0 BHADRO C[N@H+](CCC1CCCCCC1)Cc1ccc[nH]1 ZINC000685419734 487519119 /nfs/dbraw/zinc/51/91/19/487519119.db2.gz SRJQSDCIKZXHAI-UHFFFAOYSA-N 1 0 234.387 3.807 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc3occc3c2)C1 ZINC000685419816 487518577 /nfs/dbraw/zinc/51/85/77/487518577.db2.gz YAUDQWGARGOTNY-NEPJUHHUSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc2occc2c1 ZINC000685419817 488024836 /nfs/dbraw/zinc/02/48/36/488024836.db2.gz YAUDQWGARGOTNY-NWDGAFQWSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc3occc3c2)C1 ZINC000685419818 488025176 /nfs/dbraw/zinc/02/51/76/488025176.db2.gz YAUDQWGARGOTNY-RYUDHWBXSA-N 1 0 229.323 3.663 20 0 BHADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc3occc3c2)C1 ZINC000685419819 488024801 /nfs/dbraw/zinc/02/48/01/488024801.db2.gz YAUDQWGARGOTNY-VXGBXAGGSA-N 1 0 229.323 3.663 20 0 BHADRO c1cc2cc(C[N@H+]3[C@H]4C=CC[C@@H]3CC4)ccc2o1 ZINC000685420393 487519891 /nfs/dbraw/zinc/51/98/91/487519891.db2.gz BJZNGASCYXBPMC-LSDHHAIUSA-N 1 0 239.318 3.726 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1cc(C(C)C)no1 ZINC000685424236 487519851 /nfs/dbraw/zinc/51/98/51/487519851.db2.gz HTNYLMDTUSKEDP-GFCCVEGCSA-N 1 0 238.375 3.570 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1cc(C(C)C)no1 ZINC000685424237 487519963 /nfs/dbraw/zinc/51/99/63/487519963.db2.gz HTNYLMDTUSKEDP-LBPRGKRZSA-N 1 0 238.375 3.570 20 0 BHADRO Cc1cc(C[NH2+]C(C(C)C)C(C)C)cc(C)c1O ZINC000685425400 487521402 /nfs/dbraw/zinc/52/14/02/487521402.db2.gz AZRLLEKOJARVDX-UHFFFAOYSA-N 1 0 249.398 3.779 20 0 BHADRO Fc1cc(F)cc(C2CC([NH2+]C3CC=CC3)C2)c1 ZINC000685425412 487521284 /nfs/dbraw/zinc/52/12/84/487521284.db2.gz DYAOJKMWLUXBQP-UHFFFAOYSA-N 1 0 249.304 3.519 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@@H](C)CC(C)C)nc1 ZINC000685429351 487522422 /nfs/dbraw/zinc/52/24/22/487522422.db2.gz PFIDGJUSAKIFPV-AWEZNQCLSA-N 1 0 234.387 3.504 20 0 BHADRO Cc1ccc(C[N@@H+](C)C[C@H](C)CC(C)C)nc1 ZINC000685429352 487516556 /nfs/dbraw/zinc/51/65/56/487516556.db2.gz PFIDGJUSAKIFPV-CQSZACIVSA-N 1 0 234.387 3.504 20 0 BHADRO CC(C)C1C[NH+](Cc2ccc3occc3c2)C1 ZINC000685430378 487522370 /nfs/dbraw/zinc/52/23/70/487522370.db2.gz MWEZYJOBTMVODJ-UHFFFAOYSA-N 1 0 229.323 3.521 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc3occc3c2)CC1 ZINC000685430478 487521935 /nfs/dbraw/zinc/52/19/35/487521935.db2.gz FOYRRLYCXPTDIE-UHFFFAOYSA-N 1 0 241.334 3.975 20 0 BHADRO Cc1cccc(CCC[NH2+]C[C@@H](C)C(C)(C)C)n1 ZINC000685436200 487522377 /nfs/dbraw/zinc/52/23/77/487522377.db2.gz ASDFTDNGCIFVLT-CYBMUJFWSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1cccc(CCC[NH2+]C[C@H](C)C(C)(C)C)n1 ZINC000685436201 487522540 /nfs/dbraw/zinc/52/25/40/487522540.db2.gz ASDFTDNGCIFVLT-ZDUSSCGKSA-N 1 0 248.414 3.594 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438118 487522113 /nfs/dbraw/zinc/52/21/13/487522113.db2.gz MVKDNTATWPSHNZ-GXTWGEPZSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438119 487523362 /nfs/dbraw/zinc/52/33/62/487523362.db2.gz MVKDNTATWPSHNZ-JSGCOSHPSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438120 487523094 /nfs/dbraw/zinc/52/30/94/487523094.db2.gz MVKDNTATWPSHNZ-OCCSQVGLSA-N 1 0 249.402 3.619 20 0 BHADRO C[C@H](C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438121 487522178 /nfs/dbraw/zinc/52/21/78/487522178.db2.gz MVKDNTATWPSHNZ-TZMCWYRMSA-N 1 0 249.402 3.619 20 0 BHADRO c1cc(C[NH+]2CCC3(CCC3)CC2)cs1 ZINC000685444158 487524247 /nfs/dbraw/zinc/52/42/47/487524247.db2.gz IGUCSMCLUGRLKZ-UHFFFAOYSA-N 1 0 221.369 3.514 20 0 BHADRO C[C@H](Cc1ccsc1)[NH+]1CCC2(CCC2)CC1 ZINC000685444204 487524408 /nfs/dbraw/zinc/52/44/08/487524408.db2.gz MGYAGEVMQIUZGD-CYBMUJFWSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH+]1CCC2(CCC2)CC1 ZINC000685444205 487524685 /nfs/dbraw/zinc/52/46/85/487524685.db2.gz MGYAGEVMQIUZGD-ZDUSSCGKSA-N 1 0 249.423 3.945 20 0 BHADRO CCc1ccc(C[NH+]2CCC3(CCC3)CC2)o1 ZINC000685444206 487524670 /nfs/dbraw/zinc/52/46/70/487524670.db2.gz MHWSRKVVRRLJGN-UHFFFAOYSA-N 1 0 233.355 3.608 20 0 BHADRO Cc1ccsc1C[NH+]1CCC2(CCC2)CC1 ZINC000685444312 487524401 /nfs/dbraw/zinc/52/44/01/487524401.db2.gz SABACXYNCWBWAP-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO Clc1ccc(C[NH+]2CCC3(CCC3)CC2)o1 ZINC000685444329 487524695 /nfs/dbraw/zinc/52/46/95/487524695.db2.gz SMTNBLDYBBAVLS-UHFFFAOYSA-N 1 0 239.746 3.699 20 0 BHADRO C1=CC[C@H](C[NH+]2CCC3(CCC3)CC2)CC1 ZINC000685444339 487524552 /nfs/dbraw/zinc/52/45/52/487524552.db2.gz UUFDSGFJLAQHTD-AWEZNQCLSA-N 1 0 219.372 3.609 20 0 BHADRO C1=CC[C@@H](C[NH+]2CCC3(CCC3)CC2)CC1 ZINC000685444342 487524659 /nfs/dbraw/zinc/52/46/59/487524659.db2.gz UUFDSGFJLAQHTD-CQSZACIVSA-N 1 0 219.372 3.609 20 0 BHADRO Cc1ccc(C[NH+]2CCC3(CCC3)CC2)s1 ZINC000685444361 487524594 /nfs/dbraw/zinc/52/45/94/487524594.db2.gz WFOHHTLNCGOVRC-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO FC(F)C1CC([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000685447150 487524333 /nfs/dbraw/zinc/52/43/33/487524333.db2.gz SHFCIUTYDCWCSO-UHFFFAOYSA-N 1 0 243.341 3.589 20 0 BHADRO CCC[C@H](C[N@H+](C)C[C@@H](C)OC)c1ccccc1 ZINC000685447532 487524617 /nfs/dbraw/zinc/52/46/17/487524617.db2.gz TXEQDUSEUBDZEP-GDBMZVCRSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@H](C[N@H+](C)C[C@H](C)OC)c1ccccc1 ZINC000685447533 487524730 /nfs/dbraw/zinc/52/47/30/487524730.db2.gz TXEQDUSEUBDZEP-GOEBONIOSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@@H](C[N@H+](C)C[C@H](C)OC)c1ccccc1 ZINC000685447534 487524584 /nfs/dbraw/zinc/52/45/84/487524584.db2.gz TXEQDUSEUBDZEP-HOCLYGCPSA-N 1 0 249.398 3.537 20 0 BHADRO CCC[C@@H](C[N@H+](C)C[C@@H](C)OC)c1ccccc1 ZINC000685447535 487525621 /nfs/dbraw/zinc/52/56/21/487525621.db2.gz TXEQDUSEUBDZEP-ZBFHGGJFSA-N 1 0 249.398 3.537 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@@H](C)C(C)(C)C ZINC000685451173 487525592 /nfs/dbraw/zinc/52/55/92/487525592.db2.gz XQULUCUNRLFYAH-CYBMUJFWSA-N 1 0 234.387 3.586 20 0 BHADRO CC[N@@H+](Cc1ccncc1)C[C@H](C)C(C)(C)C ZINC000685451174 487525582 /nfs/dbraw/zinc/52/55/82/487525582.db2.gz XQULUCUNRLFYAH-ZDUSSCGKSA-N 1 0 234.387 3.586 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1c1ccncc1)C(C)(C)C ZINC000685452343 487526769 /nfs/dbraw/zinc/52/67/69/487526769.db2.gz IQOUCLJECACUBZ-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1c1ccncc1)C(C)(C)C ZINC000685452344 487526631 /nfs/dbraw/zinc/52/66/31/487526631.db2.gz IQOUCLJECACUBZ-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1c1ccncc1)C(C)(C)C ZINC000685452345 487526998 /nfs/dbraw/zinc/52/69/98/487526998.db2.gz IQOUCLJECACUBZ-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1c1ccncc1)C(C)(C)C ZINC000685452346 487526749 /nfs/dbraw/zinc/52/67/49/487526749.db2.gz IQOUCLJECACUBZ-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@H]1c1cccnc1)C(C)(C)C ZINC000685452924 487526752 /nfs/dbraw/zinc/52/67/52/487526752.db2.gz GOSRSJHIKSHBTB-DZGCQCFKSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@H]1c1cccnc1)C(C)(C)C ZINC000685452925 487526737 /nfs/dbraw/zinc/52/67/37/487526737.db2.gz GOSRSJHIKSHBTB-HIFRSBDPSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@H]1c1cccnc1)C(C)(C)C ZINC000685452926 487527234 /nfs/dbraw/zinc/52/72/34/487527234.db2.gz GOSRSJHIKSHBTB-UKRRQHHQSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@H]1c1cccnc1)C(C)(C)C ZINC000685452927 487526759 /nfs/dbraw/zinc/52/67/59/487526759.db2.gz GOSRSJHIKSHBTB-ZFWWWQNUSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)[NH2+]Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000685454219 487526687 /nfs/dbraw/zinc/52/66/87/487526687.db2.gz JVXXAUDHBXCYAP-UHFFFAOYSA-N 1 0 241.334 3.557 20 0 BHADRO CCC(CC)C[NH+]1CCC(c2cccnc2)CC1 ZINC000685456312 487527012 /nfs/dbraw/zinc/52/70/12/487527012.db2.gz MNGMZKMKNMOYQJ-UHFFFAOYSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@H](C)C[NH+]1CCC(c2cccnc2)CC1 ZINC000685456348 487526726 /nfs/dbraw/zinc/52/67/26/487526726.db2.gz OMKFZRPFPGLJRQ-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CCC[C@@H](C)C[NH+]1CCC(c2cccnc2)CC1 ZINC000685456349 487527164 /nfs/dbraw/zinc/52/71/64/487527164.db2.gz OMKFZRPFPGLJRQ-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CCCOC1(C[NH2+]C2CC(C)C2)CCCCC1 ZINC000685462771 487530687 /nfs/dbraw/zinc/53/06/87/487530687.db2.gz WBXBYVHLJCSNCU-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000685463432 488039666 /nfs/dbraw/zinc/03/96/66/488039666.db2.gz WQVHNJSKNKULRB-KKBVYLPWSA-N 1 0 243.394 3.597 20 0 BHADRO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000685463433 488039612 /nfs/dbraw/zinc/03/96/12/488039612.db2.gz WQVHNJSKNKULRB-NKKGCODLSA-N 1 0 243.394 3.597 20 0 BHADRO C[C@H](C[N@H+](Cc1ccccn1)C1CC1)C(C)(C)C ZINC000685466501 643770260 /nfs/dbraw/zinc/77/02/60/643770260.db2.gz AISSZCMJXUJTLA-CYBMUJFWSA-N 1 0 246.398 3.728 20 0 BHADRO C[C@@H](C[N@H+](Cc1ccccn1)C1CC1)C(C)(C)C ZINC000685466502 643769806 /nfs/dbraw/zinc/76/98/06/643769806.db2.gz AISSZCMJXUJTLA-ZDUSSCGKSA-N 1 0 246.398 3.728 20 0 BHADRO C[C@H](C[N@H+](Cc1cccnc1)C1CC1)C(C)(C)C ZINC000685467312 487531937 /nfs/dbraw/zinc/53/19/37/487531937.db2.gz NWIHYWPQVGXAFJ-CYBMUJFWSA-N 1 0 246.398 3.728 20 0 BHADRO C[C@@H](C[N@H+](Cc1cccnc1)C1CC1)C(C)(C)C ZINC000685467314 487532458 /nfs/dbraw/zinc/53/24/58/487532458.db2.gz NWIHYWPQVGXAFJ-ZDUSSCGKSA-N 1 0 246.398 3.728 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CCCOCC1)C1CCC1 ZINC000685468949 487532343 /nfs/dbraw/zinc/53/23/43/487532343.db2.gz BUMOHKWOMGPORW-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CCCOCC1)C1CCC1 ZINC000685468950 487531540 /nfs/dbraw/zinc/53/15/40/487531540.db2.gz BUMOHKWOMGPORW-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCC1 ZINC000685468951 487531736 /nfs/dbraw/zinc/53/17/36/487531736.db2.gz BUMOHKWOMGPORW-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H]([NH2+][C@H]1CCCOCC1)C1CCC1 ZINC000685468952 487531696 /nfs/dbraw/zinc/53/16/96/487531696.db2.gz BUMOHKWOMGPORW-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H]([NH2+]Cc1ccc(O)cc1)C1CCC1 ZINC000685469225 487531932 /nfs/dbraw/zinc/53/19/32/487531932.db2.gz WFUJKGBWAJFGPV-INIZCTEOSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@@H]([NH2+]Cc1ccc(O)cc1)C1CCC1 ZINC000685469230 487531721 /nfs/dbraw/zinc/53/17/21/487531721.db2.gz WFUJKGBWAJFGPV-MRXNPFEDSA-N 1 0 247.382 3.841 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CCC1 ZINC000685469285 487532404 /nfs/dbraw/zinc/53/24/04/487532404.db2.gz YOMVGOKBDFCRFY-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CC[N@H+](CCC(C)(C)C)[C@H](C)c1cccnc1 ZINC000685469825 487532986 /nfs/dbraw/zinc/53/29/86/487532986.db2.gz AIMQYEZLZCGIFF-CYBMUJFWSA-N 1 0 234.387 3.901 20 0 BHADRO CC[N@H+](CCC(C)(C)C)[C@@H](C)c1cccnc1 ZINC000685469826 487534184 /nfs/dbraw/zinc/53/41/84/487534184.db2.gz AIMQYEZLZCGIFF-ZDUSSCGKSA-N 1 0 234.387 3.901 20 0 BHADRO CC[N@H+](CCCC(C)C)[C@@H](C)c1cccnc1 ZINC000685469893 487534172 /nfs/dbraw/zinc/53/41/72/487534172.db2.gz MIHQACZRLKIIDS-AWEZNQCLSA-N 1 0 234.387 3.901 20 0 BHADRO CC[N@H+](CCCC(C)C)[C@H](C)c1cccnc1 ZINC000685469894 487531952 /nfs/dbraw/zinc/53/19/52/487531952.db2.gz MIHQACZRLKIIDS-CQSZACIVSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000685470108 487533559 /nfs/dbraw/zinc/53/35/59/487533559.db2.gz WLNWMPMXMVBVOR-DZGCQCFKSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000685470109 487533848 /nfs/dbraw/zinc/53/38/48/487533848.db2.gz WLNWMPMXMVBVOR-HIFRSBDPSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@@H](C)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000685470110 487532995 /nfs/dbraw/zinc/53/29/95/487532995.db2.gz WLNWMPMXMVBVOR-UKRRQHHQSA-N 1 0 234.387 3.901 20 0 BHADRO CCC[C@H](C)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000685470111 487534148 /nfs/dbraw/zinc/53/41/48/487534148.db2.gz WLNWMPMXMVBVOR-ZFWWWQNUSA-N 1 0 234.387 3.901 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1C ZINC000685470395 487533602 /nfs/dbraw/zinc/53/36/02/487533602.db2.gz RRGAVFBPOMLUMV-GDBMZVCRSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1C ZINC000685470396 487533627 /nfs/dbraw/zinc/53/36/27/487533627.db2.gz RRGAVFBPOMLUMV-GOEBONIOSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C ZINC000685470401 487533215 /nfs/dbraw/zinc/53/32/15/487533215.db2.gz RRGAVFBPOMLUMV-HOCLYGCPSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C ZINC000685470403 487533942 /nfs/dbraw/zinc/53/39/42/487533942.db2.gz RRGAVFBPOMLUMV-ZBFHGGJFSA-N 1 0 246.398 3.791 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cncs1 ZINC000685470441 487533894 /nfs/dbraw/zinc/53/38/94/487533894.db2.gz WSGNQTRJXIKMSY-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cncs1 ZINC000685470442 487533416 /nfs/dbraw/zinc/53/34/16/487533416.db2.gz WSGNQTRJXIKMSY-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cncs1 ZINC000685470443 487533990 /nfs/dbraw/zinc/53/39/90/487533990.db2.gz WSGNQTRJXIKMSY-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cncs1 ZINC000685470444 487533527 /nfs/dbraw/zinc/53/35/27/487533527.db2.gz WSGNQTRJXIKMSY-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCSC1 ZINC000685470477 487533509 /nfs/dbraw/zinc/53/35/09/487533509.db2.gz ZIHGVQGNLLDYHA-BFHYXJOUSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCSC1 ZINC000685470488 487533856 /nfs/dbraw/zinc/53/38/56/487533856.db2.gz ZIHGVQGNLLDYHA-MCIONIFRSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CCSC1 ZINC000685470489 487533226 /nfs/dbraw/zinc/53/32/26/487533226.db2.gz ZIHGVQGNLLDYHA-MGPQQGTHSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCSC1 ZINC000685470490 487533072 /nfs/dbraw/zinc/53/30/72/487533072.db2.gz ZIHGVQGNLLDYHA-MJBXVCDLSA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000685471194 487534818 /nfs/dbraw/zinc/53/48/18/487534818.db2.gz WMRAWNCXRKKQAM-DOMZBBRYSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000685471195 487536017 /nfs/dbraw/zinc/53/60/17/487536017.db2.gz WMRAWNCXRKKQAM-IUODEOHRSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000685471196 487535554 /nfs/dbraw/zinc/53/55/54/487535554.db2.gz WMRAWNCXRKKQAM-SWLSCSKDSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000685471197 487535794 /nfs/dbraw/zinc/53/57/94/487535794.db2.gz WMRAWNCXRKKQAM-WFASDCNBSA-N 1 0 242.366 3.931 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1sccc1OC ZINC000685471282 488041119 /nfs/dbraw/zinc/04/11/19/488041119.db2.gz AISZZFGYWQPESL-GHMZBOCLSA-N 1 0 239.384 3.520 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1sccc1OC ZINC000685471283 488041188 /nfs/dbraw/zinc/04/11/88/488041188.db2.gz AISZZFGYWQPESL-MNOVXSKESA-N 1 0 239.384 3.520 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1sccc1OC ZINC000685471284 488041064 /nfs/dbraw/zinc/04/10/64/488041064.db2.gz AISZZFGYWQPESL-QWRGUYRKSA-N 1 0 239.384 3.520 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1sccc1OC ZINC000685471285 488041350 /nfs/dbraw/zinc/04/13/50/488041350.db2.gz AISZZFGYWQPESL-WDEREUQCSA-N 1 0 239.384 3.520 20 0 BHADRO COCC(C)(C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000685471465 487535159 /nfs/dbraw/zinc/53/51/59/487535159.db2.gz NACCPQJJJMZYNG-CYBMUJFWSA-N 1 0 243.435 3.711 20 0 BHADRO COCC(C)(C)CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000685471466 487535979 /nfs/dbraw/zinc/53/59/79/487535979.db2.gz NACCPQJJJMZYNG-ZDUSSCGKSA-N 1 0 243.435 3.711 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H](C)CF)cc1 ZINC000685473333 487535879 /nfs/dbraw/zinc/53/58/79/487535879.db2.gz HPEFCXHXWSYIAY-SNPRPXQTSA-N 1 0 235.346 3.579 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H](C)CF)cc1 ZINC000685473334 487535719 /nfs/dbraw/zinc/53/57/19/487535719.db2.gz HPEFCXHXWSYIAY-VHDGCEQUSA-N 1 0 235.346 3.579 20 0 BHADRO C[C@H](CF)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000685473351 488042403 /nfs/dbraw/zinc/04/24/03/488042403.db2.gz LQMOTSJSARSSII-CHWSQXEVSA-N 1 0 237.362 3.690 20 0 BHADRO C[C@H](CF)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000685473352 488042185 /nfs/dbraw/zinc/04/21/85/488042185.db2.gz LQMOTSJSARSSII-QWHCGFSZSA-N 1 0 237.362 3.690 20 0 BHADRO CC(C)C[C@@H](C[NH2+][C@H](C)CF)c1ccccc1 ZINC000685473376 487535033 /nfs/dbraw/zinc/53/50/33/487535033.db2.gz QRTYOVIOLAEHPM-HIFRSBDPSA-N 1 0 237.362 3.764 20 0 BHADRO CC(C)C[C@H](C[NH2+][C@H](C)CF)c1ccccc1 ZINC000685473377 487534901 /nfs/dbraw/zinc/53/49/01/487534901.db2.gz QRTYOVIOLAEHPM-UKRRQHHQSA-N 1 0 237.362 3.764 20 0 BHADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C)CF ZINC000685473383 487535525 /nfs/dbraw/zinc/53/55/25/487535525.db2.gz RJEWBVRYJUBTKG-HIFRSBDPSA-N 1 0 237.362 3.736 20 0 BHADRO CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)CF ZINC000685473384 487535259 /nfs/dbraw/zinc/53/52/59/487535259.db2.gz RJEWBVRYJUBTKG-UKRRQHHQSA-N 1 0 237.362 3.736 20 0 BHADRO C[C@H](CF)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000685473387 487534756 /nfs/dbraw/zinc/53/47/56/487534756.db2.gz SRQOYJSSQCJSLS-IUDNXUCKSA-N 1 0 249.373 3.835 20 0 BHADRO C[C@H](CF)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000685473438 488042484 /nfs/dbraw/zinc/04/24/84/488042484.db2.gz ZKRDQWPVDVQLPD-BPLDGKMQSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CF)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000685473439 488041911 /nfs/dbraw/zinc/04/19/11/488041911.db2.gz ZKRDQWPVDVQLPD-SNPRPXQTSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CF)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000685473440 488042140 /nfs/dbraw/zinc/04/21/40/488042140.db2.gz ZKRDQWPVDVQLPD-VHDGCEQUSA-N 1 0 235.346 3.660 20 0 BHADRO C[C@H](CF)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000685473441 488042434 /nfs/dbraw/zinc/04/24/34/488042434.db2.gz ZKRDQWPVDVQLPD-YUELXQCFSA-N 1 0 235.346 3.660 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000685475886 488046955 /nfs/dbraw/zinc/04/69/55/488046955.db2.gz AFBCCLSDAVVXAM-CYBMUJFWSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000685475887 488047026 /nfs/dbraw/zinc/04/70/26/488047026.db2.gz AFBCCLSDAVVXAM-ZDUSSCGKSA-N 1 0 235.396 3.679 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)o1 ZINC000685476091 487536933 /nfs/dbraw/zinc/53/69/33/487536933.db2.gz HGLZVXXEBNOHES-LLVKDONJSA-N 1 0 239.746 3.555 20 0 BHADRO Clc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)o1 ZINC000685476092 487536444 /nfs/dbraw/zinc/53/64/44/487536444.db2.gz HGLZVXXEBNOHES-NSHDSACASA-N 1 0 239.746 3.555 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1sccc1OC ZINC000685476191 487537309 /nfs/dbraw/zinc/53/73/09/487537309.db2.gz CYBFBOGOVAPFSS-UHFFFAOYSA-N 1 0 241.400 3.767 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc2c[nH]nc2c1 ZINC000685476198 487536333 /nfs/dbraw/zinc/53/63/33/487536333.db2.gz FGSWOHYKLYWGCT-UHFFFAOYSA-N 1 0 245.370 3.573 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cc(O)cc(F)c1 ZINC000685476203 487537159 /nfs/dbraw/zinc/53/71/59/487537159.db2.gz FKOWXBSWXIOWBL-UHFFFAOYSA-N 1 0 239.334 3.542 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1[nH]nc2ccccc21 ZINC000685476208 487537210 /nfs/dbraw/zinc/53/72/10/487537210.db2.gz HCZOWMKOIUOBFB-UHFFFAOYSA-N 1 0 245.370 3.573 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1occc1C ZINC000685476252 488047624 /nfs/dbraw/zinc/04/76/24/488047624.db2.gz LOBHYOXYEWLBRC-UHFFFAOYSA-N 1 0 209.333 3.599 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000685476303 487536975 /nfs/dbraw/zinc/53/69/75/487536975.db2.gz UAOBBHRYQQAHCW-DZGCQCFKSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000685476304 487536803 /nfs/dbraw/zinc/53/68/03/487536803.db2.gz UAOBBHRYQQAHCW-HIFRSBDPSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@@H]1CCO[C@H](CC)C1 ZINC000685476305 487536630 /nfs/dbraw/zinc/53/66/30/487536630.db2.gz UAOBBHRYQQAHCW-UKRRQHHQSA-N 1 0 241.419 3.702 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000685476306 487537260 /nfs/dbraw/zinc/53/72/60/487537260.db2.gz UAOBBHRYQQAHCW-ZFWWWQNUSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000685476313 487537284 /nfs/dbraw/zinc/53/72/84/487537284.db2.gz VVXJGEIPQSLJPR-BFQNTYOBSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000685476314 487537316 /nfs/dbraw/zinc/53/73/16/487537316.db2.gz VVXJGEIPQSLJPR-HSMVNMDESA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000685476315 487537384 /nfs/dbraw/zinc/53/73/84/487537384.db2.gz VVXJGEIPQSLJPR-WQGACYEGSA-N 1 0 245.366 3.677 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000685476316 487536928 /nfs/dbraw/zinc/53/69/28/487536928.db2.gz VVXJGEIPQSLJPR-XHBSWPGZSA-N 1 0 245.366 3.677 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccccc1OC ZINC000685476329 488047483 /nfs/dbraw/zinc/04/74/83/488047483.db2.gz YQOBWGXAXJUKHZ-UHFFFAOYSA-N 1 0 235.371 3.706 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000685476689 487538500 /nfs/dbraw/zinc/53/85/00/487538500.db2.gz WJULHRPFDUBGEF-DOMZBBRYSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000685476690 487538044 /nfs/dbraw/zinc/53/80/44/487538044.db2.gz WJULHRPFDUBGEF-IUODEOHRSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000685476691 487538092 /nfs/dbraw/zinc/53/80/92/487538092.db2.gz WJULHRPFDUBGEF-SWLSCSKDSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000685476692 487537956 /nfs/dbraw/zinc/53/79/56/487537956.db2.gz WJULHRPFDUBGEF-WFASDCNBSA-N 1 0 249.423 3.801 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)s1 ZINC000685476754 488048105 /nfs/dbraw/zinc/04/81/05/488048105.db2.gz YXQBQGUITGLQHU-CYBMUJFWSA-N 1 0 235.396 3.679 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)s1 ZINC000685476755 488048113 /nfs/dbraw/zinc/04/81/13/488048113.db2.gz YXQBQGUITGLQHU-ZDUSSCGKSA-N 1 0 235.396 3.679 20 0 BHADRO C[C@H](C[N@@H+]1CCCc2occc2C1)C(C)(C)C ZINC000685477502 487538103 /nfs/dbraw/zinc/53/81/03/487538103.db2.gz DEDPXVVJYMZGCH-GFCCVEGCSA-N 1 0 235.371 3.710 20 0 BHADRO C[C@@H](C[N@@H+]1CCCc2occc2C1)C(C)(C)C ZINC000685477504 487538083 /nfs/dbraw/zinc/53/80/83/487538083.db2.gz DEDPXVVJYMZGCH-LBPRGKRZSA-N 1 0 235.371 3.710 20 0 BHADRO CCCC[NH+](CCCC)Cc1oc(C)nc1C ZINC000685560770 487544044 /nfs/dbraw/zinc/54/40/44/487544044.db2.gz GPXZZJXMZUUMBY-UHFFFAOYSA-N 1 0 238.375 3.694 20 0 BHADRO Cc1nc(C)c(C[N@@H+]2CCCC23CCCCC3)o1 ZINC000685569328 487550462 /nfs/dbraw/zinc/55/04/62/487550462.db2.gz QIHRSAQRGRHUJO-UHFFFAOYSA-N 1 0 248.370 3.590 20 0 BHADRO CC(C)[NH+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000685570670 487552650 /nfs/dbraw/zinc/55/26/50/487552650.db2.gz NKTAHYJNPAMPDZ-UHFFFAOYSA-N 1 0 238.375 3.591 20 0 BHADRO CC[N@H+](Cc1cccnc1C)[C@H]1CCCC[C@@H]1C ZINC000685574617 487553663 /nfs/dbraw/zinc/55/36/63/487553663.db2.gz CFTNODYYNNZNAY-BBRMVZONSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cccnc1C)[C@H]1CCCC[C@H]1C ZINC000685574618 487553686 /nfs/dbraw/zinc/55/36/86/487553686.db2.gz CFTNODYYNNZNAY-CJNGLKHVSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cccnc1C)[C@@H]1CCCC[C@H]1C ZINC000685574619 487554334 /nfs/dbraw/zinc/55/43/34/487554334.db2.gz CFTNODYYNNZNAY-CZUORRHYSA-N 1 0 246.398 3.791 20 0 BHADRO CC[N@H+](Cc1cccnc1C)[C@@H]1CCCC[C@@H]1C ZINC000685574620 487553786 /nfs/dbraw/zinc/55/37/86/487553786.db2.gz CFTNODYYNNZNAY-XJKSGUPXSA-N 1 0 246.398 3.791 20 0 BHADRO CC/C=C\CC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000685590100 487560192 /nfs/dbraw/zinc/56/01/92/487560192.db2.gz XXZMWVASAJDIRK-DANTVBBOSA-N 1 0 239.403 3.622 20 0 BHADRO CC/C=C/CC[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000685590101 487560485 /nfs/dbraw/zinc/56/04/85/487560485.db2.gz XXZMWVASAJDIRK-HSBSLETESA-N 1 0 239.403 3.622 20 0 BHADRO CC/C=C/CC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000685590102 487560949 /nfs/dbraw/zinc/56/09/49/487560949.db2.gz XXZMWVASAJDIRK-NPQIQWPPSA-N 1 0 239.403 3.622 20 0 BHADRO CC/C=C\CC[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000685590103 487560059 /nfs/dbraw/zinc/56/00/59/487560059.db2.gz XXZMWVASAJDIRK-WBTMPAOCSA-N 1 0 239.403 3.622 20 0 BHADRO CC[N@H+](CCCC(C)C)[C@H]1CCOC(C)(C)C1 ZINC000685590469 487560703 /nfs/dbraw/zinc/56/07/03/487560703.db2.gz XLTALLXSHFCVEV-AWEZNQCLSA-N 1 0 241.419 3.702 20 0 BHADRO CC[N@H+](CCCC(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000685590470 487561114 /nfs/dbraw/zinc/56/11/14/487561114.db2.gz XLTALLXSHFCVEV-CQSZACIVSA-N 1 0 241.419 3.702 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597276 487561576 /nfs/dbraw/zinc/56/15/76/487561576.db2.gz YITBAVYXRSGPKP-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597278 487561846 /nfs/dbraw/zinc/56/18/46/487561846.db2.gz YITBAVYXRSGPKP-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCc1ccncc1 ZINC000685612066 487561869 /nfs/dbraw/zinc/56/18/69/487561869.db2.gz ZSJFODBOHNSIDB-AWEZNQCLSA-N 1 0 234.387 3.525 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCc1ccncc1 ZINC000685612067 487561940 /nfs/dbraw/zinc/56/19/40/487561940.db2.gz ZSJFODBOHNSIDB-CQSZACIVSA-N 1 0 234.387 3.525 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000685612132 487564139 /nfs/dbraw/zinc/56/41/39/487564139.db2.gz KQLRRBOOTIZARS-GDBMZVCRSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000685612134 487564486 /nfs/dbraw/zinc/56/44/86/487564486.db2.gz KQLRRBOOTIZARS-GOEBONIOSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000685612135 487564520 /nfs/dbraw/zinc/56/45/20/487564520.db2.gz KQLRRBOOTIZARS-HOCLYGCPSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000685612136 487564115 /nfs/dbraw/zinc/56/41/15/487564115.db2.gz KQLRRBOOTIZARS-ZBFHGGJFSA-N 1 0 249.398 3.885 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cn1 ZINC000685612149 487562204 /nfs/dbraw/zinc/56/22/04/487562204.db2.gz MXUULLAREWOLRM-LLVKDONJSA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc(Cl)cn1 ZINC000685612153 487562132 /nfs/dbraw/zinc/56/21/32/487562132.db2.gz MXUULLAREWOLRM-NSHDSACASA-N 1 0 240.778 3.746 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCCOC(C)(C)C ZINC000685612335 538815366 /nfs/dbraw/zinc/81/53/66/538815366.db2.gz GZTBPYYUVSKCBY-CYBMUJFWSA-N 1 0 229.408 3.702 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCCOC(C)(C)C ZINC000685612337 538815473 /nfs/dbraw/zinc/81/54/73/538815473.db2.gz GZTBPYYUVSKCBY-ZDUSSCGKSA-N 1 0 229.408 3.702 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000685613851 487564136 /nfs/dbraw/zinc/56/41/36/487564136.db2.gz MDWDCUICAWLNHW-BXUZGUMPSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000685613852 487564200 /nfs/dbraw/zinc/56/42/00/487564200.db2.gz MDWDCUICAWLNHW-FZMZJTMJSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000685613854 487563637 /nfs/dbraw/zinc/56/36/37/487563637.db2.gz MDWDCUICAWLNHW-RISCZKNCSA-N 1 0 233.355 3.670 20 0 BHADRO Cc1occc1C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000685613855 487564747 /nfs/dbraw/zinc/56/47/47/487564747.db2.gz MDWDCUICAWLNHW-SMDDNHRTSA-N 1 0 233.355 3.670 20 0 BHADRO CCCCC1CCC([NH2+]Cc2[nH]ncc2C)CC1 ZINC000685614021 487563801 /nfs/dbraw/zinc/56/38/01/487563801.db2.gz VVXJIMXKQHPWHE-UHFFFAOYSA-N 1 0 249.402 3.557 20 0 BHADRO CCC[C@H]([NH2+]Cc1[nH]ncc1C)C1CCCCC1 ZINC000685614762 487564512 /nfs/dbraw/zinc/56/45/12/487564512.db2.gz VTSADAXTVZTRFP-AWEZNQCLSA-N 1 0 249.402 3.557 20 0 BHADRO CCC[C@@H]([NH2+]Cc1[nH]ncc1C)C1CCCCC1 ZINC000685614763 487563596 /nfs/dbraw/zinc/56/35/96/487563596.db2.gz VTSADAXTVZTRFP-CQSZACIVSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1cn[nH]c1C[NH2+][C@H](C)CCC1CCCCC1 ZINC000685616234 487565293 /nfs/dbraw/zinc/56/52/93/487565293.db2.gz JGTIADOACTVSCP-CYBMUJFWSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1cn[nH]c1C[NH2+][C@@H](C)CCC1CCCCC1 ZINC000685616235 487566229 /nfs/dbraw/zinc/56/62/29/487566229.db2.gz JGTIADOACTVSCP-ZDUSSCGKSA-N 1 0 249.402 3.557 20 0 BHADRO Cc1cccnc1C(C)(C)C[NH2+]CCCC(C)C ZINC000685631688 487568706 /nfs/dbraw/zinc/56/87/06/487568706.db2.gz BSQSDVJYDDPUMF-UHFFFAOYSA-N 1 0 248.414 3.693 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1nccc2ccccc21 ZINC000685648967 487570153 /nfs/dbraw/zinc/57/01/53/487570153.db2.gz RPSDMEIAKRCGOV-GFCCVEGCSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1nccc2ccccc21 ZINC000685648981 487570178 /nfs/dbraw/zinc/57/01/78/487570178.db2.gz RPSDMEIAKRCGOV-LBPRGKRZSA-N 1 0 238.334 3.604 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000685663943 487572296 /nfs/dbraw/zinc/57/22/96/487572296.db2.gz BUZAREMRJIYPKT-BHPKHCPMSA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000685663946 487572593 /nfs/dbraw/zinc/57/25/93/487572593.db2.gz BUZAREMRJIYPKT-JLNYLFASSA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000685663947 487571892 /nfs/dbraw/zinc/57/18/92/487571892.db2.gz BUZAREMRJIYPKT-KYEXWDHISA-N 1 0 247.382 3.556 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000685663949 487571964 /nfs/dbraw/zinc/57/19/64/487571964.db2.gz BUZAREMRJIYPKT-RGCMKSIDSA-N 1 0 247.382 3.556 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000685664039 487572540 /nfs/dbraw/zinc/57/25/40/487572540.db2.gz WVUPTYKCSGJKOG-DVOMOZLQSA-N 1 0 249.398 3.713 20 0 BHADRO CCc1ccc([C@@H](CC)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000685664040 487572628 /nfs/dbraw/zinc/57/26/28/487572628.db2.gz WVUPTYKCSGJKOG-XJKCOSOUSA-N 1 0 249.398 3.713 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000685832678 487582128 /nfs/dbraw/zinc/58/21/28/487582128.db2.gz FPKJDMYNLLREIY-JTQLQIEISA-N 1 0 241.425 3.702 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000685832682 487581954 /nfs/dbraw/zinc/58/19/54/487581954.db2.gz FPKJDMYNLLREIY-SNVBAGLBSA-N 1 0 241.425 3.702 20 0 BHADRO CC[N@H+](CCc1ccc(F)cc1Cl)C(C)C ZINC000685833461 487582072 /nfs/dbraw/zinc/58/20/72/487582072.db2.gz RYDFMVVQCQYXOZ-UHFFFAOYSA-N 1 0 243.753 3.752 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@@H](C)C(C)C)s1 ZINC000685833797 487581738 /nfs/dbraw/zinc/58/17/38/487581738.db2.gz GAMMUMWLTRBTBD-JTQLQIEISA-N 1 0 243.441 3.946 20 0 BHADRO CSc1ccc(C[N@H+](C)[C@H](C)C(C)C)s1 ZINC000685833798 487581493 /nfs/dbraw/zinc/58/14/93/487581493.db2.gz GAMMUMWLTRBTBD-SNVBAGLBSA-N 1 0 243.441 3.946 20 0 BHADRO CSc1ccc(C[N@H+](C)CCC(C)C)s1 ZINC000685833815 487582026 /nfs/dbraw/zinc/58/20/26/487582026.db2.gz NVMDCKXYWBQWFA-UHFFFAOYSA-N 1 0 243.441 3.948 20 0 BHADRO CCCC[N@H+](Cc1n[nH]cc1C)C1CCCCC1 ZINC000685834100 487582313 /nfs/dbraw/zinc/58/23/13/487582313.db2.gz MJSMGGSCLUUTCP-UHFFFAOYSA-N 1 0 249.402 3.653 20 0 BHADRO Cc1c[nH]nc1C[N@@H+](CCC(C)C)C1CCCC1 ZINC000685834145 487583384 /nfs/dbraw/zinc/58/33/84/487583384.db2.gz XJIHDHRNZJJQQQ-UHFFFAOYSA-N 1 0 249.402 3.509 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(SC)s1 ZINC000685834202 487584311 /nfs/dbraw/zinc/58/43/11/487584311.db2.gz QUZAHANIZPXTLQ-JTQLQIEISA-N 1 0 243.441 3.948 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(SC)s1 ZINC000685834203 487583888 /nfs/dbraw/zinc/58/38/88/487583888.db2.gz QUZAHANIZPXTLQ-SNVBAGLBSA-N 1 0 243.441 3.948 20 0 BHADRO CCC[N@@H+](Cc1n[nH]cc1C)CC1CCCCC1 ZINC000685834586 487584126 /nfs/dbraw/zinc/58/41/26/487584126.db2.gz DHPGBCKYYXOEIW-UHFFFAOYSA-N 1 0 249.402 3.510 20 0 BHADRO CSc1ccc(C[N@@H+]2CCCC2(C)C)s1 ZINC000685835819 487583716 /nfs/dbraw/zinc/58/37/16/487583716.db2.gz QTYZCWDWGWSMSZ-UHFFFAOYSA-N 1 0 241.425 3.844 20 0 BHADRO CSc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)s1 ZINC000685837776 487584149 /nfs/dbraw/zinc/58/41/49/487584149.db2.gz VYBFLYBBJKJSHV-AOOOYVTPSA-N 1 0 241.425 3.558 20 0 BHADRO CSc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)s1 ZINC000685837777 487583409 /nfs/dbraw/zinc/58/34/09/487583409.db2.gz VYBFLYBBJKJSHV-NXEZZACHSA-N 1 0 241.425 3.558 20 0 BHADRO CSc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)s1 ZINC000685837778 487583596 /nfs/dbraw/zinc/58/35/96/487583596.db2.gz VYBFLYBBJKJSHV-UWVGGRQHSA-N 1 0 241.425 3.558 20 0 BHADRO Cc1c[nH]nc1C[N@H+]1CCCCC[C@H]1CC(C)C ZINC000685837835 487583916 /nfs/dbraw/zinc/58/39/16/487583916.db2.gz NRCGHYMVJRLVPI-AWEZNQCLSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1c[nH]nc1C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000685837836 487583834 /nfs/dbraw/zinc/58/38/34/487583834.db2.gz NRCGHYMVJRLVPI-CQSZACIVSA-N 1 0 249.402 3.509 20 0 BHADRO CC[C@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000685838813 487584272 /nfs/dbraw/zinc/58/42/72/487584272.db2.gz HTBKZMWYZMILDG-JTQLQIEISA-N 1 0 241.425 3.702 20 0 BHADRO CC[C@@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000685838814 487583509 /nfs/dbraw/zinc/58/35/09/487583509.db2.gz HTBKZMWYZMILDG-SNVBAGLBSA-N 1 0 241.425 3.702 20 0 BHADRO Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1CCC(C)C ZINC000685838952 487585276 /nfs/dbraw/zinc/58/52/76/487585276.db2.gz ZOEMVDZWQCHMFP-AWEZNQCLSA-N 1 0 249.402 3.509 20 0 BHADRO Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000685838953 487584973 /nfs/dbraw/zinc/58/49/73/487584973.db2.gz ZOEMVDZWQCHMFP-CQSZACIVSA-N 1 0 249.402 3.509 20 0 BHADRO CC(C)(C)c1ccc(CC[NH2+]C2CC=CC2)cc1 ZINC000685842171 488121835 /nfs/dbraw/zinc/12/18/35/488121835.db2.gz IQTUNURCTXCTRJ-UHFFFAOYSA-N 1 0 243.394 3.835 20 0 BHADRO CCCC1CCC([N@H+](C)Cc2n[nH]cc2C)CC1 ZINC000685844679 487587132 /nfs/dbraw/zinc/58/71/32/487587132.db2.gz UKGMFCBFKGFNNN-UHFFFAOYSA-N 1 0 249.402 3.509 20 0 BHADRO C[C@H](C[N@@H+]1CCC(F)(F)[C@H](C)C1)C(C)(C)C ZINC000685849268 487588620 /nfs/dbraw/zinc/58/86/20/487588620.db2.gz FEJDSJCTXPZMOF-GHMZBOCLSA-N 1 0 233.346 3.646 20 0 BHADRO C[C@H](C[N@@H+]1CCC(F)(F)[C@@H](C)C1)C(C)(C)C ZINC000685849269 487588359 /nfs/dbraw/zinc/58/83/59/487588359.db2.gz FEJDSJCTXPZMOF-MNOVXSKESA-N 1 0 233.346 3.646 20 0 BHADRO C[C@@H](C[N@@H+]1CCC(F)(F)[C@@H](C)C1)C(C)(C)C ZINC000685849270 487587864 /nfs/dbraw/zinc/58/78/64/487587864.db2.gz FEJDSJCTXPZMOF-QWRGUYRKSA-N 1 0 233.346 3.646 20 0 BHADRO C[C@@H](C[N@@H+]1CCC(F)(F)[C@H](C)C1)C(C)(C)C ZINC000685849271 487588073 /nfs/dbraw/zinc/58/80/73/487588073.db2.gz FEJDSJCTXPZMOF-WDEREUQCSA-N 1 0 233.346 3.646 20 0 BHADRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000685849876 487588190 /nfs/dbraw/zinc/58/81/90/487588190.db2.gz FXYPEXJYGGCIEG-HNNXBMFYSA-N 1 0 229.367 3.615 20 0 BHADRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000685849877 487588015 /nfs/dbraw/zinc/58/80/15/487588015.db2.gz FXYPEXJYGGCIEG-OAHLLOKOSA-N 1 0 229.367 3.615 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)s1 ZINC000685849946 487587896 /nfs/dbraw/zinc/58/78/96/487587896.db2.gz UAJRNBZNEIKODK-CYBMUJFWSA-N 1 0 235.396 3.677 20 0 BHADRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)s1 ZINC000685849947 487587883 /nfs/dbraw/zinc/58/78/83/487587883.db2.gz UAJRNBZNEIKODK-ZDUSSCGKSA-N 1 0 235.396 3.677 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000685852453 487589131 /nfs/dbraw/zinc/58/91/31/487589131.db2.gz WSVGVLDAWWJDAG-GFCCVEGCSA-N 1 0 245.370 3.573 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000685852454 487589770 /nfs/dbraw/zinc/58/97/70/487589770.db2.gz WSVGVLDAWWJDAG-LBPRGKRZSA-N 1 0 245.370 3.573 20 0 BHADRO Cc1ccc2[nH+]ccc(N3CCC4(CC4)C3)c2c1 ZINC000685918197 487596741 /nfs/dbraw/zinc/59/67/41/487596741.db2.gz HATUZKCRZZDXPX-UHFFFAOYSA-N 1 0 238.334 3.534 20 0 BHADRO Cc1cc(N2CCC3(CC3)C2)c2ccccc2[nH+]1 ZINC000685919002 487597686 /nfs/dbraw/zinc/59/76/86/487597686.db2.gz VOKUNRCXTQHOEE-UHFFFAOYSA-N 1 0 238.334 3.534 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCCC1)CC(F)F ZINC000700045027 711984518 /nfs/dbraw/zinc/98/45/18/711984518.db2.gz SPQYKPRUWUTZHA-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCCC1)CC(F)F ZINC000700045028 711984045 /nfs/dbraw/zinc/98/40/45/711984045.db2.gz SPQYKPRUWUTZHA-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)C(C)(F)F ZINC000700253101 711988968 /nfs/dbraw/zinc/98/89/68/711988968.db2.gz XPYHHFYRDPEAJN-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)C(C)(F)F ZINC000700253102 711989071 /nfs/dbraw/zinc/98/90/71/711989071.db2.gz XPYHHFYRDPEAJN-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]Cc1ccsc1 ZINC000700277783 711988934 /nfs/dbraw/zinc/98/89/34/711988934.db2.gz KLRHUUUNZTTWJH-UHFFFAOYSA-N 1 0 233.327 3.519 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C[C@@H]1CC=CCC1 ZINC000700329370 711989837 /nfs/dbraw/zinc/98/98/37/711989837.db2.gz UILZFASWOYSXOI-LLVKDONJSA-N 1 0 231.330 3.614 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C[C@H]1CC=CCC1 ZINC000700329372 711990022 /nfs/dbraw/zinc/99/00/22/711990022.db2.gz UILZFASWOYSXOI-NSHDSACASA-N 1 0 231.330 3.614 20 0 BHADRO Cc1ccccc1C[NH2+]CC(C)(C)C(C)(F)F ZINC000700354484 711989964 /nfs/dbraw/zinc/98/99/64/711989964.db2.gz CJBPAYMRNVSKLB-UHFFFAOYSA-N 1 0 241.325 3.766 20 0 BHADRO CC(C)C1(C[NH2+]CC(C)(C)C(C)(F)F)CC1 ZINC000700355056 711884243 /nfs/dbraw/zinc/88/42/43/711884243.db2.gz HCEZCOXYKOPYBV-UHFFFAOYSA-N 1 0 233.346 3.694 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1ncc(C)o1 ZINC000700370719 711990669 /nfs/dbraw/zinc/99/06/69/711990669.db2.gz NUJNLOOBCBBVJL-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]Cc1cccc(F)c1 ZINC000700372328 711990808 /nfs/dbraw/zinc/99/08/08/711990808.db2.gz BVNLJVSHFKSMFR-UHFFFAOYSA-N 1 0 245.288 3.597 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]Cc1ccc(F)cc1 ZINC000700373317 711803085 /nfs/dbraw/zinc/80/30/85/711803085.db2.gz JSVBYYOGEYOUTI-UHFFFAOYSA-N 1 0 245.288 3.597 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000700384027 711991519 /nfs/dbraw/zinc/99/15/19/711991519.db2.gz LHBXEUVHTDGCLL-GRYCIOLGSA-N 1 0 245.357 3.694 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000700384030 711991105 /nfs/dbraw/zinc/99/11/05/711991105.db2.gz LHBXEUVHTDGCLL-UTUOFQBUSA-N 1 0 245.357 3.694 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1Cl ZINC000700487916 711994678 /nfs/dbraw/zinc/99/46/78/711994678.db2.gz BAPHFHJCMKYVNT-GHMZBOCLSA-N 1 0 221.731 3.709 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1Cl ZINC000700487917 711994504 /nfs/dbraw/zinc/99/45/04/711994504.db2.gz BAPHFHJCMKYVNT-MNOVXSKESA-N 1 0 221.731 3.709 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1Cl ZINC000700487918 711994762 /nfs/dbraw/zinc/99/47/62/711994762.db2.gz BAPHFHJCMKYVNT-QWRGUYRKSA-N 1 0 221.731 3.709 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1Cl ZINC000700487919 711994685 /nfs/dbraw/zinc/99/46/85/711994685.db2.gz BAPHFHJCMKYVNT-WDEREUQCSA-N 1 0 221.731 3.709 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000700487956 711994510 /nfs/dbraw/zinc/99/45/10/711994510.db2.gz BUVSATYEHWQFKT-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000700487957 711994193 /nfs/dbraw/zinc/99/41/93/711994193.db2.gz BUVSATYEHWQFKT-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000700487958 711994352 /nfs/dbraw/zinc/99/43/52/711994352.db2.gz BUVSATYEHWQFKT-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000700487959 711994273 /nfs/dbraw/zinc/99/42/73/711994273.db2.gz BUVSATYEHWQFKT-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1 ZINC000700511654 711995436 /nfs/dbraw/zinc/99/54/36/711995436.db2.gz CUWCYUXXTLQXNN-CABCVRRESA-N 1 0 215.340 3.692 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1 ZINC000700511656 711995281 /nfs/dbraw/zinc/99/52/81/711995281.db2.gz CUWCYUXXTLQXNN-GJZGRUSLSA-N 1 0 215.340 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1 ZINC000700511658 711995117 /nfs/dbraw/zinc/99/51/17/711995117.db2.gz CUWCYUXXTLQXNN-HUUCEWRRSA-N 1 0 215.340 3.692 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1 ZINC000700511659 711995404 /nfs/dbraw/zinc/99/54/04/711995404.db2.gz CUWCYUXXTLQXNN-LSDHHAIUSA-N 1 0 215.340 3.692 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)c(C)c1 ZINC000700514277 711995246 /nfs/dbraw/zinc/99/52/46/711995246.db2.gz VIQHYZQCDKLSMB-KBPBESRZSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)c(C)c1 ZINC000700514278 711995511 /nfs/dbraw/zinc/99/55/11/711995511.db2.gz VIQHYZQCDKLSMB-KGLIPLIRSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)c(C)c1 ZINC000700514279 711995085 /nfs/dbraw/zinc/99/50/85/711995085.db2.gz VIQHYZQCDKLSMB-UONOGXRCSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)c(C)c1 ZINC000700514280 711995199 /nfs/dbraw/zinc/99/51/99/711995199.db2.gz VIQHYZQCDKLSMB-ZIAGYGMSSA-N 1 0 215.340 3.673 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]CCC1(C)CC1 ZINC000700523704 711996705 /nfs/dbraw/zinc/99/67/05/711996705.db2.gz HZAPYGDGJSQDKR-GFCCVEGCSA-N 1 0 235.346 3.537 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCC1(C)CC1 ZINC000700523705 711996558 /nfs/dbraw/zinc/99/65/58/711996558.db2.gz HZAPYGDGJSQDKR-LBPRGKRZSA-N 1 0 235.346 3.537 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1 ZINC000700542409 711996626 /nfs/dbraw/zinc/99/66/26/711996626.db2.gz BRXYIWLBSNIJOA-KBPBESRZSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000700542411 711996755 /nfs/dbraw/zinc/99/67/55/711996755.db2.gz BRXYIWLBSNIJOA-KGLIPLIRSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1 ZINC000700542414 711996869 /nfs/dbraw/zinc/99/68/69/711996869.db2.gz BRXYIWLBSNIJOA-UONOGXRCSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000700542416 711996504 /nfs/dbraw/zinc/99/65/04/711996504.db2.gz BRXYIWLBSNIJOA-ZIAGYGMSSA-N 1 0 219.303 3.585 20 0 BHADRO FC(F)(F)c1ccccc1C[NH2+][C@@H]1C=CCC1 ZINC000700564730 711995768 /nfs/dbraw/zinc/99/57/68/711995768.db2.gz KOESINCOKLFWNP-LLVKDONJSA-N 1 0 241.256 3.514 20 0 BHADRO FC(F)(F)c1ccccc1C[NH2+][C@H]1C=CCC1 ZINC000700564733 711995886 /nfs/dbraw/zinc/99/58/86/711995886.db2.gz KOESINCOKLFWNP-NSHDSACASA-N 1 0 241.256 3.514 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cccs1 ZINC000700565361 711996226 /nfs/dbraw/zinc/99/62/26/711996226.db2.gz OGNDDTFCUHHXLE-GHMZBOCLSA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1cccs1 ZINC000700565363 711995780 /nfs/dbraw/zinc/99/57/80/711995780.db2.gz OGNDDTFCUHHXLE-MNOVXSKESA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1cccs1 ZINC000700565364 711996022 /nfs/dbraw/zinc/99/60/22/711996022.db2.gz OGNDDTFCUHHXLE-QWRGUYRKSA-N 1 0 207.342 3.507 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1cccs1 ZINC000700565366 711996104 /nfs/dbraw/zinc/99/61/04/711996104.db2.gz OGNDDTFCUHHXLE-WDEREUQCSA-N 1 0 207.342 3.507 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000700601355 712000317 /nfs/dbraw/zinc/00/03/17/712000317.db2.gz BBRSLHIJHRNALF-AAEUAGOBSA-N 1 0 233.380 3.778 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000700601356 712000489 /nfs/dbraw/zinc/00/04/89/712000489.db2.gz BBRSLHIJHRNALF-DGCLKSJQSA-N 1 0 233.380 3.778 20 0 BHADRO CSc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000700601358 712000458 /nfs/dbraw/zinc/00/04/58/712000458.db2.gz BBRSLHIJHRNALF-WCQYABFASA-N 1 0 233.380 3.778 20 0 BHADRO CSc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000700601359 712000341 /nfs/dbraw/zinc/00/03/41/712000341.db2.gz BBRSLHIJHRNALF-YPMHNXCESA-N 1 0 233.380 3.778 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCC(C)(C)F ZINC000700603292 712000313 /nfs/dbraw/zinc/00/03/13/712000313.db2.gz NDLWZJGVXOCZRE-JTQLQIEISA-N 1 0 203.345 3.539 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCC(C)(C)F ZINC000700603298 712001066 /nfs/dbraw/zinc/00/10/66/712001066.db2.gz NDLWZJGVXOCZRE-SNVBAGLBSA-N 1 0 203.345 3.539 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cnc(C)o1 ZINC000700842972 712008178 /nfs/dbraw/zinc/00/81/78/712008178.db2.gz QIKJIIUEVXQURB-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO Cc1ncc(C[NH2+]CCCCCCC(C)C)o1 ZINC000700843128 712008306 /nfs/dbraw/zinc/00/83/06/712008306.db2.gz ZVCPICRTWPMIHH-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)CC(F)F ZINC000701479488 712024525 /nfs/dbraw/zinc/02/45/25/712024525.db2.gz YHFIUYXLNFTNCI-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)CC(F)F ZINC000701479489 712024103 /nfs/dbraw/zinc/02/41/03/712024103.db2.gz YHFIUYXLNFTNCI-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)CC(F)F ZINC000701479492 712024288 /nfs/dbraw/zinc/02/42/88/712024288.db2.gz YHFIUYXLNFTNCI-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)CC(F)F ZINC000701479494 712024438 /nfs/dbraw/zinc/02/44/38/712024438.db2.gz YHFIUYXLNFTNCI-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)CC1([NH2+]CCSC(C)(C)C)CC1 ZINC000701483465 712024479 /nfs/dbraw/zinc/02/44/79/712024479.db2.gz YWTNXBWLOKHSSO-UHFFFAOYSA-N 1 0 229.433 3.686 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1cnc2ccccc2c1 ZINC000701959087 712033332 /nfs/dbraw/zinc/03/33/32/712033332.db2.gz IGZRDRLXBGUINX-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1cnc2ccccc2c1 ZINC000701959090 712033034 /nfs/dbraw/zinc/03/30/34/712033034.db2.gz IGZRDRLXBGUINX-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@]2(C)CC2(C)C)n1 ZINC000701973068 712033838 /nfs/dbraw/zinc/03/38/38/712033838.db2.gz YPXQCZRAYSEYJV-GWCFXTLKSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C[C@@]2(C)CC2(C)C)n1 ZINC000701973069 712033711 /nfs/dbraw/zinc/03/37/11/712033711.db2.gz YPXQCZRAYSEYJV-GXFFZTMASA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@]2(C)CC2(C)C)n1 ZINC000701973070 712033737 /nfs/dbraw/zinc/03/37/37/712033737.db2.gz YPXQCZRAYSEYJV-MFKMUULPSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C[C@@]2(C)CC2(C)C)n1 ZINC000701973072 712033699 /nfs/dbraw/zinc/03/36/99/712033699.db2.gz YPXQCZRAYSEYJV-ZWNOBZJWSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@@]2(C)CC2(C)C)cs1 ZINC000701989847 712035383 /nfs/dbraw/zinc/03/53/83/712035383.db2.gz ZJMCEPGPNHPYBT-NOZJJQNGSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C[C@]2(C)CC2(C)C)cs1 ZINC000701989849 712035338 /nfs/dbraw/zinc/03/53/38/712035338.db2.gz ZJMCEPGPNHPYBT-RNCFNFMXSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@@]2(C)CC2(C)C)cs1 ZINC000701989851 712035280 /nfs/dbraw/zinc/03/52/80/712035280.db2.gz ZJMCEPGPNHPYBT-TVQRCGJNSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C[C@]2(C)CC2(C)C)cs1 ZINC000701989853 712035204 /nfs/dbraw/zinc/03/52/04/712035204.db2.gz ZJMCEPGPNHPYBT-ZANVPECISA-N 1 0 238.400 3.538 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1cncc2ccccc21 ZINC000702031611 712036695 /nfs/dbraw/zinc/03/66/95/712036695.db2.gz XVVMIZQCXQWZSP-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1cncc2ccccc21 ZINC000702031612 712036683 /nfs/dbraw/zinc/03/66/83/712036683.db2.gz XVVMIZQCXQWZSP-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CC1([NH2+]Cc2cc(Cl)cs2)CC=CC1 ZINC000702140535 712040407 /nfs/dbraw/zinc/04/04/07/712040407.db2.gz FJWPYIDFJIUJMM-UHFFFAOYSA-N 1 0 227.760 3.600 20 0 BHADRO CC(C)(C)[C@H]([NH3+])c1cc(-c2ccc(F)cc2)no1 ZINC000702252770 712041766 /nfs/dbraw/zinc/04/17/66/712041766.db2.gz BDTFUJYYJWSDDC-CYBMUJFWSA-N 1 0 248.301 3.527 20 0 BHADRO CC(C)(C)[C@@H]([NH3+])c1cc(-c2ccc(F)cc2)no1 ZINC000702252774 712041717 /nfs/dbraw/zinc/04/17/17/712041717.db2.gz BDTFUJYYJWSDDC-ZDUSSCGKSA-N 1 0 248.301 3.527 20 0 BHADRO Cc1ccc(-c2cc([C@H]([NH3+])C(C)(C)C)on2)cc1 ZINC000702253982 712041929 /nfs/dbraw/zinc/04/19/29/712041929.db2.gz IDZDZMAXZQWTHN-AWEZNQCLSA-N 1 0 244.338 3.696 20 0 BHADRO Cc1ccc(-c2cc([C@@H]([NH3+])C(C)(C)C)on2)cc1 ZINC000702253986 712041460 /nfs/dbraw/zinc/04/14/60/712041460.db2.gz IDZDZMAXZQWTHN-CQSZACIVSA-N 1 0 244.338 3.696 20 0 BHADRO CC(C)(C)[C@H]([NH3+])c1cc(-c2ccccc2F)no1 ZINC000702258757 712042499 /nfs/dbraw/zinc/04/24/99/712042499.db2.gz SRRYAUKTVIKUCE-CYBMUJFWSA-N 1 0 248.301 3.527 20 0 BHADRO CC(C)(C)[C@@H]([NH3+])c1cc(-c2ccccc2F)no1 ZINC000702258761 712042463 /nfs/dbraw/zinc/04/24/63/712042463.db2.gz SRRYAUKTVIKUCE-ZDUSSCGKSA-N 1 0 248.301 3.527 20 0 BHADRO Cc1ccccc1-c1cc([C@H]([NH3+])C(C)(C)C)on1 ZINC000702258820 712042398 /nfs/dbraw/zinc/04/23/98/712042398.db2.gz UDEUJECLFZHWFF-AWEZNQCLSA-N 1 0 244.338 3.696 20 0 BHADRO Cc1ccccc1-c1cc([C@@H]([NH3+])C(C)(C)C)on1 ZINC000702258822 712042286 /nfs/dbraw/zinc/04/22/86/712042286.db2.gz UDEUJECLFZHWFF-CQSZACIVSA-N 1 0 244.338 3.696 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1(Cl)CC1 ZINC000702265274 712041914 /nfs/dbraw/zinc/04/19/14/712041914.db2.gz YWBHVJSCSVTNLG-LMWSTFAQSA-N 1 0 249.785 3.682 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)C1(Cl)CC1 ZINC000702265276 712041797 /nfs/dbraw/zinc/04/17/97/712041797.db2.gz YWBHVJSCSVTNLG-XGNXJENSSA-N 1 0 249.785 3.682 20 0 BHADRO Clc1csc(C[NH2+]CC2=CCCC2)c1 ZINC000702331962 712047732 /nfs/dbraw/zinc/04/77/32/712047732.db2.gz AOXUSOADYPTQPO-UHFFFAOYSA-N 1 0 227.760 3.601 20 0 BHADRO FC(F)(F)C1CCC([NH2+]CC2=CCCC2)CC1 ZINC000702416094 712051367 /nfs/dbraw/zinc/05/13/67/712051367.db2.gz GRDHWULMFQBFIT-UHFFFAOYSA-N 1 0 247.304 3.807 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2=CCCC2)C1 ZINC000702417610 712052408 /nfs/dbraw/zinc/05/24/08/712052408.db2.gz PHRFVKJIOFURQP-NEPJUHHUSA-N 1 0 247.304 3.807 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC000702417611 712052420 /nfs/dbraw/zinc/05/24/20/712052420.db2.gz PHRFVKJIOFURQP-NWDGAFQWSA-N 1 0 247.304 3.807 20 0 BHADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2=CCCC2)C1 ZINC000702417612 712052592 /nfs/dbraw/zinc/05/25/92/712052592.db2.gz PHRFVKJIOFURQP-RYUDHWBXSA-N 1 0 247.304 3.807 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC000702417613 712052517 /nfs/dbraw/zinc/05/25/17/712052517.db2.gz PHRFVKJIOFURQP-VXGBXAGGSA-N 1 0 247.304 3.807 20 0 BHADRO C[C@H]([NH2+]CC1=CCCC1)c1c(F)cccc1F ZINC000702417912 712052392 /nfs/dbraw/zinc/05/23/92/712052392.db2.gz SNBNGOAPQLVSKA-JTQLQIEISA-N 1 0 237.293 3.726 20 0 BHADRO C[C@@H]([NH2+]CC1=CCCC1)c1c(F)cccc1F ZINC000702417913 712052448 /nfs/dbraw/zinc/05/24/48/712052448.db2.gz SNBNGOAPQLVSKA-SNVBAGLBSA-N 1 0 237.293 3.726 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000703004220 712064117 /nfs/dbraw/zinc/06/41/17/712064117.db2.gz WXZJMMLQSYOVGV-NFOMZHRRSA-N 1 0 241.419 3.629 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000703004221 712063767 /nfs/dbraw/zinc/06/37/67/712063767.db2.gz WXZJMMLQSYOVGV-WLYUNCDWSA-N 1 0 241.419 3.629 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1SCCS1 ZINC000703011653 712064297 /nfs/dbraw/zinc/06/42/97/712064297.db2.gz MBGFFTJZFNXKKG-GHMZBOCLSA-N 1 0 247.473 3.597 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1SCCS1 ZINC000703011656 712064574 /nfs/dbraw/zinc/06/45/74/712064574.db2.gz MBGFFTJZFNXKKG-MNOVXSKESA-N 1 0 247.473 3.597 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1SCCS1 ZINC000703011660 712064538 /nfs/dbraw/zinc/06/45/38/712064538.db2.gz MBGFFTJZFNXKKG-QWRGUYRKSA-N 1 0 247.473 3.597 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1SCCS1 ZINC000703011662 712064376 /nfs/dbraw/zinc/06/43/76/712064376.db2.gz MBGFFTJZFNXKKG-WDEREUQCSA-N 1 0 247.473 3.597 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703022793 712064926 /nfs/dbraw/zinc/06/49/26/712064926.db2.gz HPMOLPZSKCFVMX-NFOMZHRRSA-N 1 0 241.419 3.629 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703022794 712065221 /nfs/dbraw/zinc/06/52/21/712065221.db2.gz HPMOLPZSKCFVMX-WLYUNCDWSA-N 1 0 241.419 3.629 20 0 BHADRO CCCC[C@H](CCC)[NH2+]C1CCC(C)(O)CC1 ZINC000703025823 712065046 /nfs/dbraw/zinc/06/50/46/712065046.db2.gz XOPRYBHLHHCIOK-NFOMZHRRSA-N 1 0 241.419 3.629 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]C1CCC(C)(O)CC1 ZINC000703025824 712065342 /nfs/dbraw/zinc/06/53/42/712065342.db2.gz XOPRYBHLHHCIOK-WLYUNCDWSA-N 1 0 241.419 3.629 20 0 BHADRO FC(F)(F)c1cc(C[NH2+][C@@H]2C=CCC2)cs1 ZINC000703366551 712073886 /nfs/dbraw/zinc/07/38/86/712073886.db2.gz YUSAZABVAORIFX-SECBINFHSA-N 1 0 247.285 3.575 20 0 BHADRO FC(F)(F)c1cc(C[NH2+][C@H]2C=CCC2)cs1 ZINC000703366553 712073725 /nfs/dbraw/zinc/07/37/25/712073725.db2.gz YUSAZABVAORIFX-VIFPVBQESA-N 1 0 247.285 3.575 20 0 BHADRO CCCC(CCC)[NH2+]CCC1SCCS1 ZINC000703396578 712075470 /nfs/dbraw/zinc/07/54/70/712075470.db2.gz KEMAMSXSBWNERB-UHFFFAOYSA-N 1 0 247.473 3.741 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000703455575 712075806 /nfs/dbraw/zinc/07/58/06/712075806.db2.gz VJCIHJZHHDJUIK-GFCCVEGCSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000703455577 712075794 /nfs/dbraw/zinc/07/57/94/712075794.db2.gz VJCIHJZHHDJUIK-LBPRGKRZSA-N 1 0 238.350 3.669 20 0 BHADRO CCC[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000703547952 712078645 /nfs/dbraw/zinc/07/86/45/712078645.db2.gz JMZRFHCKXSVGTR-SSDOTTSWSA-N 1 0 237.290 3.828 20 0 BHADRO CCC[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000703547954 712078501 /nfs/dbraw/zinc/07/85/01/712078501.db2.gz JMZRFHCKXSVGTR-ZETCQYMHSA-N 1 0 237.290 3.828 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCCC(C)C ZINC000703954201 712092654 /nfs/dbraw/zinc/09/26/54/712092654.db2.gz ZIRSOENFWNBGPW-LLVKDONJSA-N 1 0 238.375 3.768 20 0 BHADRO CCC1(C[NH2+]CCCCC(C)C)CCOCC1 ZINC000703956158 712093480 /nfs/dbraw/zinc/09/34/80/712093480.db2.gz UCOZBCGXLMLYFG-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1CCC(F)(F)C1 ZINC000703969160 712096851 /nfs/dbraw/zinc/09/68/51/712096851.db2.gz NNMVXFSBPBGCBE-LLVKDONJSA-N 1 0 219.319 3.590 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1CCC(F)(F)C1 ZINC000703969161 712097201 /nfs/dbraw/zinc/09/72/01/712097201.db2.gz NNMVXFSBPBGCBE-NSHDSACASA-N 1 0 219.319 3.590 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCCC(C)C)n1 ZINC000703986602 712098335 /nfs/dbraw/zinc/09/83/35/712098335.db2.gz HGQUFNQTCUTTOL-GFCCVEGCSA-N 1 0 240.416 3.928 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCCC(C)C)n1 ZINC000703986604 712098108 /nfs/dbraw/zinc/09/81/08/712098108.db2.gz HGQUFNQTCUTTOL-LBPRGKRZSA-N 1 0 240.416 3.928 20 0 BHADRO CC(C)CCCC[NH2+]C[C@@H](C)c1nccs1 ZINC000703987041 712098086 /nfs/dbraw/zinc/09/80/86/712098086.db2.gz LYBZKLMLBPLIIF-GFCCVEGCSA-N 1 0 240.416 3.663 20 0 BHADRO CC(C)CCCC[NH2+]C[C@H](C)c1nccs1 ZINC000703987042 712097931 /nfs/dbraw/zinc/09/79/31/712097931.db2.gz LYBZKLMLBPLIIF-LBPRGKRZSA-N 1 0 240.416 3.663 20 0 BHADRO CC(C)CCCC[NH2+][C@H]1COc2ccccc21 ZINC000703998192 712099003 /nfs/dbraw/zinc/09/90/03/712099003.db2.gz MANCEBDNOJXAEE-AWEZNQCLSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)CCCC[NH2+][C@@H]1COc2ccccc21 ZINC000703998193 712098660 /nfs/dbraw/zinc/09/86/60/712098660.db2.gz MANCEBDNOJXAEE-CQSZACIVSA-N 1 0 233.355 3.536 20 0 BHADRO CC(C)CCCC[NH2+]CCC1SCCS1 ZINC000704001993 712096006 /nfs/dbraw/zinc/09/60/06/712096006.db2.gz FUZBUODBOJQAIM-UHFFFAOYSA-N 1 0 247.473 3.599 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+][C@@H]1C=CCC1 ZINC000704361244 712104858 /nfs/dbraw/zinc/10/48/58/712104858.db2.gz ZMQIFLLFADICGF-SECBINFHSA-N 1 0 247.285 3.575 20 0 BHADRO FC(F)(F)c1sccc1C[NH2+][C@H]1C=CCC1 ZINC000704361245 712105128 /nfs/dbraw/zinc/10/51/28/712105128.db2.gz ZMQIFLLFADICGF-VIFPVBQESA-N 1 0 247.285 3.575 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@H]1CCSC1 ZINC000704771085 712116537 /nfs/dbraw/zinc/11/65/37/712116537.db2.gz MBGCHLPHWRZJNV-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCSC1 ZINC000704771486 712116315 /nfs/dbraw/zinc/11/63/15/712116315.db2.gz MBGCHLPHWRZJNV-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@H]1CCSC1 ZINC000704771487 712116557 /nfs/dbraw/zinc/11/65/57/712116557.db2.gz MBGCHLPHWRZJNV-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCSC1 ZINC000704771488 712116562 /nfs/dbraw/zinc/11/65/62/712116562.db2.gz MBGCHLPHWRZJNV-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccsc1 ZINC000704846409 712119130 /nfs/dbraw/zinc/11/91/30/712119130.db2.gz RQBPHLOQMOMSKG-GHMZBOCLSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccsc1 ZINC000704846412 712119200 /nfs/dbraw/zinc/11/92/00/712119200.db2.gz RQBPHLOQMOMSKG-MNOVXSKESA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccsc1 ZINC000704846415 712118876 /nfs/dbraw/zinc/11/88/76/712118876.db2.gz RQBPHLOQMOMSKG-QWRGUYRKSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccsc1 ZINC000704846418 712119008 /nfs/dbraw/zinc/11/90/08/712119008.db2.gz RQBPHLOQMOMSKG-WDEREUQCSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccs1 ZINC000704864793 712119755 /nfs/dbraw/zinc/11/97/55/712119755.db2.gz GFPXIHUSHJTOAU-GHMZBOCLSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccs1 ZINC000704864795 712119764 /nfs/dbraw/zinc/11/97/64/712119764.db2.gz GFPXIHUSHJTOAU-MNOVXSKESA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccs1 ZINC000704864796 712119683 /nfs/dbraw/zinc/11/96/83/712119683.db2.gz GFPXIHUSHJTOAU-QWRGUYRKSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccs1 ZINC000704864798 712119828 /nfs/dbraw/zinc/11/98/28/712119828.db2.gz GFPXIHUSHJTOAU-WDEREUQCSA-N 1 0 241.425 3.542 20 0 BHADRO C[C@@H](C[NH2+]CC[C@H]1CCSC1)c1ccccc1 ZINC000704868678 712119472 /nfs/dbraw/zinc/11/94/72/712119472.db2.gz BPPGEJLGTYLSFR-KBPBESRZSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH2+]CC[C@H]1CCSC1)c1ccccc1 ZINC000704868681 712119687 /nfs/dbraw/zinc/11/96/87/712119687.db2.gz BPPGEJLGTYLSFR-KGLIPLIRSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H](C[NH2+]CC[C@@H]1CCSC1)c1ccccc1 ZINC000704868684 712119667 /nfs/dbraw/zinc/11/96/67/712119667.db2.gz BPPGEJLGTYLSFR-UONOGXRCSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@H](C[NH2+]CC[C@@H]1CCSC1)c1ccccc1 ZINC000704868688 712119849 /nfs/dbraw/zinc/11/98/49/712119849.db2.gz BPPGEJLGTYLSFR-ZIAGYGMSSA-N 1 0 249.423 3.523 20 0 BHADRO CC(C)(C)[C@H]([NH3+])c1cc(-c2cccc(F)c2)no1 ZINC000705243961 712126490 /nfs/dbraw/zinc/12/64/90/712126490.db2.gz KFKZVPQCPFLABA-CYBMUJFWSA-N 1 0 248.301 3.527 20 0 BHADRO CC(C)(C)[C@@H]([NH3+])c1cc(-c2cccc(F)c2)no1 ZINC000705243963 712126533 /nfs/dbraw/zinc/12/65/33/712126533.db2.gz KFKZVPQCPFLABA-ZDUSSCGKSA-N 1 0 248.301 3.527 20 0 BHADRO C1=C(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CCC1 ZINC000705247861 712125924 /nfs/dbraw/zinc/12/59/24/712125924.db2.gz WAZVAIAZGLTPDB-HNNXBMFYSA-N 1 0 249.398 3.568 20 0 BHADRO C1=C(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CCC1 ZINC000705247863 712126645 /nfs/dbraw/zinc/12/66/45/712126645.db2.gz WAZVAIAZGLTPDB-OAHLLOKOSA-N 1 0 249.398 3.568 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CCCC12CC2)SC ZINC000706564205 712149877 /nfs/dbraw/zinc/14/98/77/712149877.db2.gz CGWJAPMLAMMQNC-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CCCC12CC2)SC ZINC000706564212 712150166 /nfs/dbraw/zinc/15/01/66/712150166.db2.gz CGWJAPMLAMMQNC-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1CCCC12CC2 ZINC000706613091 712151058 /nfs/dbraw/zinc/15/10/58/712151058.db2.gz DRYQLJPSFQYUBX-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCC12CC2 ZINC000706613094 712151317 /nfs/dbraw/zinc/15/13/17/712151317.db2.gz DRYQLJPSFQYUBX-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1(C)CC1 ZINC000706740364 712153424 /nfs/dbraw/zinc/15/34/24/712153424.db2.gz BLSWDQZZALXMAD-NUYPLMSZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1(C)CC1 ZINC000706740369 712153172 /nfs/dbraw/zinc/15/31/72/712153172.db2.gz BLSWDQZZALXMAD-ZOODHJKOSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1(C)CC1 ZINC000706827168 712156533 /nfs/dbraw/zinc/15/65/33/712156533.db2.gz QTJCQZZAIFDQDP-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2cnccc2c1)C1(C)CC1 ZINC000706827169 712156684 /nfs/dbraw/zinc/15/66/84/712156684.db2.gz QTJCQZZAIFDQDP-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1(C)CC1 ZINC000706889596 712158897 /nfs/dbraw/zinc/15/88/97/712158897.db2.gz WRZOCCDLCXOFCP-ABAIWWIYSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1(C)CC1 ZINC000706889597 712158967 /nfs/dbraw/zinc/15/89/67/712158967.db2.gz WRZOCCDLCXOFCP-IAQYHMDHSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1(C)CC1 ZINC000706889598 712158988 /nfs/dbraw/zinc/15/89/88/712158988.db2.gz WRZOCCDLCXOFCP-NHYWBVRUSA-N 1 0 245.366 3.548 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1(C)CC1 ZINC000706889599 712158867 /nfs/dbraw/zinc/15/88/67/712158867.db2.gz WRZOCCDLCXOFCP-XHDPSFHLSA-N 1 0 245.366 3.548 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000706900792 712159660 /nfs/dbraw/zinc/15/96/60/712159660.db2.gz AVIJPKFYSRTEDQ-CHWSQXEVSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000706900793 712159685 /nfs/dbraw/zinc/15/96/85/712159685.db2.gz AVIJPKFYSRTEDQ-OLZOCXBDSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000706900794 712159843 /nfs/dbraw/zinc/15/98/43/712159843.db2.gz AVIJPKFYSRTEDQ-QWHCGFSZSA-N 1 0 247.382 3.843 20 0 BHADRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000706900795 712159683 /nfs/dbraw/zinc/15/96/83/712159683.db2.gz AVIJPKFYSRTEDQ-STQMWFEESA-N 1 0 247.382 3.843 20 0 BHADRO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C1(C)CC1 ZINC000706902953 712159571 /nfs/dbraw/zinc/15/95/71/712159571.db2.gz LOROHICUJCKODS-HIFPTAJRSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C1(C)CC1 ZINC000706902954 712159424 /nfs/dbraw/zinc/15/94/24/712159424.db2.gz LOROHICUJCKODS-PNESKVBLSA-N 1 0 247.357 3.850 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000706903008 712159635 /nfs/dbraw/zinc/15/96/35/712159635.db2.gz MYYPVXHJPDSMMI-CYBMUJFWSA-N 1 0 247.382 3.752 20 0 BHADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000706903009 712159647 /nfs/dbraw/zinc/15/96/47/712159647.db2.gz MYYPVXHJPDSMMI-ZDUSSCGKSA-N 1 0 247.382 3.752 20 0 BHADRO CCCOc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000706903010 712159633 /nfs/dbraw/zinc/15/96/33/712159633.db2.gz MZCYPXJZXZBUPK-CYBMUJFWSA-N 1 0 247.382 3.754 20 0 BHADRO CCCOc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000706903011 712159804 /nfs/dbraw/zinc/15/98/04/712159804.db2.gz MZCYPXJZXZBUPK-ZDUSSCGKSA-N 1 0 247.382 3.754 20 0 BHADRO C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1(C)CC1 ZINC000706903492 712160130 /nfs/dbraw/zinc/16/01/30/712160130.db2.gz PFRQRYFYSILQJU-NUYPLMSZSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1(C)CC1 ZINC000706903493 712160465 /nfs/dbraw/zinc/16/04/65/712160465.db2.gz PFRQRYFYSILQJU-ZOODHJKOSA-N 1 0 247.357 3.850 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000706903515 712160231 /nfs/dbraw/zinc/16/02/31/712160231.db2.gz PQZCPPOCPABMBH-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000706903516 712160097 /nfs/dbraw/zinc/16/00/97/712160097.db2.gz PQZCPPOCPABMBH-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000706903517 712160324 /nfs/dbraw/zinc/16/03/24/712160324.db2.gz PQZCPPOCPABMBH-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000706903518 712160464 /nfs/dbraw/zinc/16/04/64/712160464.db2.gz PQZCPPOCPABMBH-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO CSC1CC([NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000706919149 712158243 /nfs/dbraw/zinc/15/82/43/712158243.db2.gz RBZVAQATYJHRJY-KPPDAEKUSA-N 1 0 241.425 3.601 20 0 BHADRO CSC1CC([NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000706919152 712158398 /nfs/dbraw/zinc/15/83/98/712158398.db2.gz RBZVAQATYJHRJY-WHXUTIOJSA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccsc1 ZINC000706922342 712161171 /nfs/dbraw/zinc/16/11/71/712161171.db2.gz JFJPPAVVCFLQFR-CMPLNLGQSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccsc1 ZINC000706922344 712161207 /nfs/dbraw/zinc/16/12/07/712161207.db2.gz JFJPPAVVCFLQFR-JQWIXIFHSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccsc1 ZINC000706922345 712161177 /nfs/dbraw/zinc/16/11/77/712161177.db2.gz JFJPPAVVCFLQFR-PWSUYJOCSA-N 1 0 223.385 3.977 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccsc1 ZINC000706922347 712160694 /nfs/dbraw/zinc/16/06/94/712160694.db2.gz JFJPPAVVCFLQFR-ZYHUDNBSSA-N 1 0 223.385 3.977 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC12CC2)CC(F)F ZINC000706923332 712161178 /nfs/dbraw/zinc/16/11/78/712161178.db2.gz OSSPWVIVFNGUOY-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC12CC2)CC(F)F ZINC000706923334 712161140 /nfs/dbraw/zinc/16/11/40/712161140.db2.gz OSSPWVIVFNGUOY-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)cs1 ZINC000706924261 712160869 /nfs/dbraw/zinc/16/08/69/712160869.db2.gz WGVJJCWHLVGBIM-GHMZBOCLSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cs1 ZINC000706924262 712160778 /nfs/dbraw/zinc/16/07/78/712160778.db2.gz WGVJJCWHLVGBIM-MNOVXSKESA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)cs1 ZINC000706924263 712160828 /nfs/dbraw/zinc/16/08/28/712160828.db2.gz WGVJJCWHLVGBIM-QWRGUYRKSA-N 1 0 223.385 3.896 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)C2(C)CC2)cs1 ZINC000706924264 712161191 /nfs/dbraw/zinc/16/11/91/712161191.db2.gz WGVJJCWHLVGBIM-WDEREUQCSA-N 1 0 223.385 3.896 20 0 BHADRO C[C@@H]([NH2+]Cc1ccccc1C1CC1)C1(C)CC1 ZINC000706932242 712161730 /nfs/dbraw/zinc/16/17/30/712161730.db2.gz CFJWLYGFLYPNCW-GFCCVEGCSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+]Cc1ccccc1C1CC1)C1(C)CC1 ZINC000706932243 712161723 /nfs/dbraw/zinc/16/17/23/712161723.db2.gz CFJWLYGFLYPNCW-LBPRGKRZSA-N 1 0 229.367 3.842 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1(C)CC1 ZINC000706933613 712161880 /nfs/dbraw/zinc/16/18/80/712161880.db2.gz GHBQICVFCCEVIU-HZMBPMFUSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1(C)CC1 ZINC000706933616 712161912 /nfs/dbraw/zinc/16/19/12/712161912.db2.gz GHBQICVFCCEVIU-IINYFYTJSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1(C)CC1 ZINC000706933619 712161855 /nfs/dbraw/zinc/16/18/55/712161855.db2.gz GHBQICVFCCEVIU-QMTHXVAHSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1(C)CC1 ZINC000706933622 712161456 /nfs/dbraw/zinc/16/14/56/712161456.db2.gz GHBQICVFCCEVIU-YGRLFVJLSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1(C)CC1)CC2 ZINC000706933734 712161537 /nfs/dbraw/zinc/16/15/37/712161537.db2.gz RMZAGQPIYBIMNI-DOMZBBRYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1(C)CC1)CC2 ZINC000706933736 712161498 /nfs/dbraw/zinc/16/14/98/712161498.db2.gz RMZAGQPIYBIMNI-IUODEOHRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1(C)CC1)CC2 ZINC000706933738 712161885 /nfs/dbraw/zinc/16/18/85/712161885.db2.gz RMZAGQPIYBIMNI-SWLSCSKDSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1(C)CC1)CC2 ZINC000706933741 712161773 /nfs/dbraw/zinc/16/17/73/712161773.db2.gz RMZAGQPIYBIMNI-WFASDCNBSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H](C)C2(C)CC2)cc1C ZINC000706933845 712161481 /nfs/dbraw/zinc/16/14/81/712161481.db2.gz TZTZJWMXAFCRMW-AWEZNQCLSA-N 1 0 231.383 3.890 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H](C)C2(C)CC2)cc1C ZINC000706933847 712161883 /nfs/dbraw/zinc/16/18/83/712161883.db2.gz TZTZJWMXAFCRMW-CQSZACIVSA-N 1 0 231.383 3.890 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000706938557 712162335 /nfs/dbraw/zinc/16/23/35/712162335.db2.gz YFKXGKWMLAUXFV-DZGCQCFKSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1(C)CC1 ZINC000706938560 712162257 /nfs/dbraw/zinc/16/22/57/712162257.db2.gz YFKXGKWMLAUXFV-HIFRSBDPSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1(C)CC1 ZINC000706938561 712162275 /nfs/dbraw/zinc/16/22/75/712162275.db2.gz YFKXGKWMLAUXFV-UKRRQHHQSA-N 1 0 231.383 3.786 20 0 BHADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000706938564 712162328 /nfs/dbraw/zinc/16/23/28/712162328.db2.gz YFKXGKWMLAUXFV-ZFWWWQNUSA-N 1 0 231.383 3.786 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000706943059 712162307 /nfs/dbraw/zinc/16/23/07/712162307.db2.gz QBYJMOZMKWOEAP-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C1(C)CC1 ZINC000706943061 712162547 /nfs/dbraw/zinc/16/25/47/712162547.db2.gz QBYJMOZMKWOEAP-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000706943063 712162345 /nfs/dbraw/zinc/16/23/45/712162345.db2.gz QBYJMOZMKWOEAP-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C1(C)CC1 ZINC000706943065 712162480 /nfs/dbraw/zinc/16/24/80/712162480.db2.gz QBYJMOZMKWOEAP-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1(C)CC1 ZINC000706944218 712163099 /nfs/dbraw/zinc/16/30/99/712163099.db2.gz ZELBVWKQDDVYGB-NEPJUHHUSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1(C)CC1 ZINC000706944219 712162927 /nfs/dbraw/zinc/16/29/27/712162927.db2.gz ZELBVWKQDDVYGB-NWDGAFQWSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1(C)CC1 ZINC000706944220 712163101 /nfs/dbraw/zinc/16/31/01/712163101.db2.gz ZELBVWKQDDVYGB-RYUDHWBXSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1(C)CC1 ZINC000706944221 712162687 /nfs/dbraw/zinc/16/26/87/712162687.db2.gz ZELBVWKQDDVYGB-VXGBXAGGSA-N 1 0 235.346 3.535 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1(C)CC1 ZINC000706947000 712162854 /nfs/dbraw/zinc/16/28/54/712162854.db2.gz RZUPMUJHCSPCFS-HZMBPMFUSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1(C)CC1 ZINC000706947003 712162727 /nfs/dbraw/zinc/16/27/27/712162727.db2.gz RZUPMUJHCSPCFS-IINYFYTJSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1(C)CC1 ZINC000706947006 712163051 /nfs/dbraw/zinc/16/30/51/712163051.db2.gz RZUPMUJHCSPCFS-QMTHXVAHSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1(C)CC1 ZINC000706947009 712162984 /nfs/dbraw/zinc/16/29/84/712162984.db2.gz RZUPMUJHCSPCFS-YGRLFVJLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccc(F)c1F ZINC000706954180 712162704 /nfs/dbraw/zinc/16/27/04/712162704.db2.gz IRVNMFDZUKXINB-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(F)c1F ZINC000706954181 712162889 /nfs/dbraw/zinc/16/28/89/712162889.db2.gz IRVNMFDZUKXINB-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C1(C)CC1 ZINC000706954183 712163010 /nfs/dbraw/zinc/16/30/10/712163010.db2.gz IRVNMFDZUKXINB-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(F)c1F ZINC000706954185 712162730 /nfs/dbraw/zinc/16/27/30/712162730.db2.gz IRVNMFDZUKXINB-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+]Cc1ccnc2ccccc12)C1(C)CC1 ZINC000706956025 712163559 /nfs/dbraw/zinc/16/35/59/712163559.db2.gz LESWNJQNDODTSA-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1ccnc2ccccc12)C1(C)CC1 ZINC000706956028 712163367 /nfs/dbraw/zinc/16/33/67/712163367.db2.gz LESWNJQNDODTSA-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(F)cc(F)c1 ZINC000706957890 712163337 /nfs/dbraw/zinc/16/33/37/712163337.db2.gz XEJZIHSBVICION-NXEZZACHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)cc(F)c1 ZINC000706957899 712163481 /nfs/dbraw/zinc/16/34/81/712163481.db2.gz XEJZIHSBVICION-UWVGGRQHSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C1(C)CC1 ZINC000706957905 712163496 /nfs/dbraw/zinc/16/34/96/712163496.db2.gz XEJZIHSBVICION-VHSXEESVSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)cc(F)c1 ZINC000706957910 712163486 /nfs/dbraw/zinc/16/34/86/712163486.db2.gz XEJZIHSBVICION-ZJUUUORDSA-N 1 0 239.309 3.804 20 0 BHADRO C[C@@H]([NH2+]Cc1cncc2ccccc21)C1(C)CC1 ZINC000706959146 712163641 /nfs/dbraw/zinc/16/36/41/712163641.db2.gz SRKFRNOLTLCINR-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cncc2ccccc21)C1(C)CC1 ZINC000706959154 712163465 /nfs/dbraw/zinc/16/34/65/712163465.db2.gz SRKFRNOLTLCINR-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CSCCCCCC[NH2+][C@@H]1CCCC12CC2 ZINC000707144804 712165112 /nfs/dbraw/zinc/16/51/12/712165112.db2.gz MFTOOSKTPPAZJQ-CYBMUJFWSA-N 1 0 241.444 3.832 20 0 BHADRO CSCCCCCC[NH2+][C@H]1CCCC12CC2 ZINC000707144806 712165355 /nfs/dbraw/zinc/16/53/55/712165355.db2.gz MFTOOSKTPPAZJQ-ZDUSSCGKSA-N 1 0 241.444 3.832 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cn2)CCCCC1 ZINC000707413344 712170165 /nfs/dbraw/zinc/17/01/65/712170165.db2.gz 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/nfs/dbraw/zinc/21/14/34/712211434.db2.gz AXSRZPIOOLIJTF-WCFLWFBJSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)C1CCC(F)(F)CC1 ZINC000709200876 712217996 /nfs/dbraw/zinc/21/79/96/712217996.db2.gz FSSWKVFAYVSQSP-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)C1CCC(F)(F)CC1 ZINC000709200880 712218218 /nfs/dbraw/zinc/21/82/18/712218218.db2.gz FSSWKVFAYVSQSP-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)C1CCC(F)(F)CC1 ZINC000709200884 712218253 /nfs/dbraw/zinc/21/82/53/712218253.db2.gz FSSWKVFAYVSQSP-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1(C)CC1 ZINC000709200889 712218107 /nfs/dbraw/zinc/21/81/07/712218107.db2.gz FSSWKVFAYVSQSP-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)[C@]12C[C@H]1CCCC2 ZINC000709216611 712218163 /nfs/dbraw/zinc/21/81/63/712218163.db2.gz AYXNZEFZBDWJPN-SCRDCRAPSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(F)F)[C@@]12C[C@@H]1CCCC2 ZINC000709216614 712218136 /nfs/dbraw/zinc/21/81/36/712218136.db2.gz AYXNZEFZBDWJPN-SGMGOOAPSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)C1CCC(F)(F)CC1 ZINC000709253373 712218525 /nfs/dbraw/zinc/21/85/25/712218525.db2.gz QIAVOERPYUARRJ-HKQQGCEUSA-N 1 0 237.721 3.543 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)C1CCC(F)(F)CC1 ZINC000709253374 712218668 /nfs/dbraw/zinc/21/86/68/712218668.db2.gz QIAVOERPYUARRJ-NOKZVFQSSA-N 1 0 237.721 3.543 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)C1CCC(F)(F)CC1 ZINC000709253375 712218618 /nfs/dbraw/zinc/21/86/18/712218618.db2.gz QIAVOERPYUARRJ-RMGQIXRRSA-N 1 0 237.721 3.543 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)C1CCC(F)(F)CC1 ZINC000709253376 712218624 /nfs/dbraw/zinc/21/86/24/712218624.db2.gz QIAVOERPYUARRJ-WEMAUNJASA-N 1 0 237.721 3.543 20 0 BHADRO C1CC12CCC[C@@H]([NH2+][C@@H]1CCCSCC1)C2 ZINC000709974020 712235823 /nfs/dbraw/zinc/23/58/23/712235823.db2.gz BIMZBPZHDZVQES-CHWSQXEVSA-N 1 0 239.428 3.585 20 0 BHADRO 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/nfs/dbraw/zinc/28/73/07/712287307.db2.gz NTXOSCICBARYCH-QQUHWDOBSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711168037 712287446 /nfs/dbraw/zinc/28/74/46/712287446.db2.gz NTXOSCICBARYCH-WBMYTEFPSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711168042 712287390 /nfs/dbraw/zinc/28/73/90/712287390.db2.gz NTXOSCICBARYCH-WTDIUWLJSA-N 1 0 248.370 3.521 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000711240952 712291088 /nfs/dbraw/zinc/29/10/88/712291088.db2.gz JBFUVXGCCSXVPX-GFCCVEGCSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000711240954 712291055 /nfs/dbraw/zinc/29/10/55/712291055.db2.gz JBFUVXGCCSXVPX-LBPRGKRZSA-N 1 0 243.341 3.877 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C=CCC2)C1 ZINC000711653054 712314067 /nfs/dbraw/zinc/31/40/67/712314067.db2.gz BQSHSPWAXHFKHC-IJLUTSLNSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C=CCC2)C1 ZINC000711653056 712314119 /nfs/dbraw/zinc/31/41/19/712314119.db2.gz BQSHSPWAXHFKHC-QJPTWQEYSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C=CCC2)C1 ZINC000711653057 712314271 /nfs/dbraw/zinc/31/42/71/712314271.db2.gz BQSHSPWAXHFKHC-TUAOUCFPSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C=CCC2)C1 ZINC000711653058 712313992 /nfs/dbraw/zinc/31/39/92/712313992.db2.gz BQSHSPWAXHFKHC-UTUOFQBUSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)C1CCC([NH2+]C[C@H]2C=CCC2)CC1 ZINC000711656280 712315190 /nfs/dbraw/zinc/31/51/90/712315190.db2.gz QAUWGIGRMYWLAU-UNXYVOJBSA-N 1 0 247.304 3.663 20 0 BHADRO FC(F)(F)C1CCC([NH2+]C[C@@H]2C=CCC2)CC1 ZINC000711656281 712315225 /nfs/dbraw/zinc/31/52/25/712315225.db2.gz QAUWGIGRMYWLAU-VOMCLLRMSA-N 1 0 247.304 3.663 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C=CCC1 ZINC000711749488 712324167 /nfs/dbraw/zinc/32/41/67/712324167.db2.gz LVDHYFHFLVYPLE-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C=CCC1 ZINC000711749493 712323764 /nfs/dbraw/zinc/32/37/64/712323764.db2.gz LVDHYFHFLVYPLE-MNOVXSKESA-N 1 0 235.293 3.663 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1C=CCC1 ZINC000711749497 712324274 /nfs/dbraw/zinc/32/42/74/712324274.db2.gz LVDHYFHFLVYPLE-QWRGUYRKSA-N 1 0 235.293 3.663 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C=CCC1 ZINC000711749501 712323779 /nfs/dbraw/zinc/32/37/79/712323779.db2.gz LVDHYFHFLVYPLE-WDEREUQCSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1nccn1C1CC1 ZINC000711753641 712324768 /nfs/dbraw/zinc/32/47/68/712324768.db2.gz YBSCNMLAVNXWIK-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711753937 712324753 /nfs/dbraw/zinc/32/47/53/712324753.db2.gz BQYHRTWTYHGDTG-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711753938 712324748 /nfs/dbraw/zinc/32/47/48/712324748.db2.gz BQYHRTWTYHGDTG-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711758285 712325122 /nfs/dbraw/zinc/32/51/22/712325122.db2.gz UGUOUUHASVSTIV-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711758287 712324884 /nfs/dbraw/zinc/32/48/84/712324884.db2.gz UGUOUUHASVSTIV-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1nccn1C1CC1 ZINC000711774009 712328892 /nfs/dbraw/zinc/32/88/92/712328892.db2.gz WFLIGTHXXZXFOA-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1nccn1C1CC1 ZINC000711774012 712328743 /nfs/dbraw/zinc/32/87/43/712328743.db2.gz WFLIGTHXXZXFOA-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO FC(F)c1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711785914 712329961 /nfs/dbraw/zinc/32/99/61/712329961.db2.gz KAUBBVFFJXPTOR-LLVKDONJSA-N 1 0 237.293 3.680 20 0 BHADRO FC(F)c1ccc(C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711785919 712330058 /nfs/dbraw/zinc/33/00/58/712330058.db2.gz KAUBBVFFJXPTOR-NSHDSACASA-N 1 0 237.293 3.680 20 0 BHADRO C1=CO[C@@H](C[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000711831999 712333377 /nfs/dbraw/zinc/33/33/77/712333377.db2.gz MVGFKHLMUIYORS-CVEARBPZSA-N 1 0 249.398 3.628 20 0 BHADRO C1=CO[C@H](C[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000711832000 712333259 /nfs/dbraw/zinc/33/32/59/712333259.db2.gz MVGFKHLMUIYORS-HOTGVXAUSA-N 1 0 249.398 3.628 20 0 BHADRO C1=CO[C@@H](C[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000711832001 712333190 /nfs/dbraw/zinc/33/31/90/712333190.db2.gz MVGFKHLMUIYORS-HZPDHXFCSA-N 1 0 249.398 3.628 20 0 BHADRO C1=CO[C@H](C[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000711832002 712333343 /nfs/dbraw/zinc/33/33/43/712333343.db2.gz MVGFKHLMUIYORS-JKSUJKDBSA-N 1 0 249.398 3.628 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1sccc1C ZINC000711841527 712333732 /nfs/dbraw/zinc/33/37/32/712333732.db2.gz MXBVXTMSSJFAHT-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1sccc1C ZINC000711841535 712333873 /nfs/dbraw/zinc/33/38/73/712333873.db2.gz MXBVXTMSSJFAHT-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccsc1 ZINC000711915718 712338712 /nfs/dbraw/zinc/33/87/12/712338712.db2.gz CIKOZBYDZMKYKI-GFCCVEGCSA-N 1 0 241.400 3.604 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)OC)c1ccsc1 ZINC000711915720 712338714 /nfs/dbraw/zinc/33/87/14/712338714.db2.gz CIKOZBYDZMKYKI-LBPRGKRZSA-N 1 0 241.400 3.604 20 0 BHADRO COC(C)(C)CC[NH2+][C@H](C)c1csc(C)c1 ZINC000711917221 712338692 /nfs/dbraw/zinc/33/86/92/712338692.db2.gz NAIDSAVUDYWMFK-LLVKDONJSA-N 1 0 241.400 3.522 20 0 BHADRO COC(C)(C)CC[NH2+][C@@H](C)c1csc(C)c1 ZINC000711917222 712338873 /nfs/dbraw/zinc/33/88/73/712338873.db2.gz NAIDSAVUDYWMFK-NSHDSACASA-N 1 0 241.400 3.522 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccco1 ZINC000712359151 712402977 /nfs/dbraw/zinc/40/29/77/712402977.db2.gz FYXMDKSEYAMCTF-MROQNXINSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccco1 ZINC000712359152 712402978 /nfs/dbraw/zinc/40/29/78/712402978.db2.gz FYXMDKSEYAMCTF-ZDEQEGDKSA-N 1 0 219.328 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccoc1 ZINC000712361703 712426693 /nfs/dbraw/zinc/42/66/93/712426693.db2.gz WFXVRSYXEUWAPV-UVLXDEKHSA-N 1 0 219.328 3.509 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000712382541 712428744 /nfs/dbraw/zinc/42/87/44/712428744.db2.gz DMEGXTADVKLFTD-WCFLWFBJSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc(O)c1 ZINC000712406005 712429086 /nfs/dbraw/zinc/42/90/86/712429086.db2.gz XPUIUBVYNRVANX-DLKVLKDVSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc(O)c1 ZINC000712406012 712429390 /nfs/dbraw/zinc/42/93/90/712429390.db2.gz XPUIUBVYNRVANX-SHPPOPEUSA-N 1 0 245.366 3.622 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712464485 712430395 /nfs/dbraw/zinc/43/03/95/712430395.db2.gz HKDBZQGKAKELST-IGJVIKARSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712464488 712430639 /nfs/dbraw/zinc/43/06/39/712430639.db2.gz HKDBZQGKAKELST-NZPIUUIZSA-N 1 0 248.370 3.521 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)c1cncs1 ZINC000712515835 712432052 /nfs/dbraw/zinc/43/20/52/712432052.db2.gz SOCPBADNEUDPAH-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1cncs1 ZINC000712515836 712432100 /nfs/dbraw/zinc/43/21/00/712432100.db2.gz SOCPBADNEUDPAH-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1cncs1 ZINC000712515837 712432214 /nfs/dbraw/zinc/43/22/14/712432214.db2.gz SOCPBADNEUDPAH-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)c1cncs1 ZINC000712515838 712432286 /nfs/dbraw/zinc/43/22/86/712432286.db2.gz SOCPBADNEUDPAH-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO FC1(F)CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712630535 712439230 /nfs/dbraw/zinc/43/92/30/712439230.db2.gz PCJZBRNBIYQTDK-YPMHNXCESA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000713052849 712451842 /nfs/dbraw/zinc/45/18/42/712451842.db2.gz TXXGXQQTTDXKCE-KKOKHZNYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000713052850 712451827 /nfs/dbraw/zinc/45/18/27/712451827.db2.gz TXXGXQQTTDXKCE-KXNHARMFSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000713052852 712451765 /nfs/dbraw/zinc/45/17/65/712451765.db2.gz TXXGXQQTTDXKCE-RHYQMDGZSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000713052854 712451972 /nfs/dbraw/zinc/45/19/72/712451972.db2.gz TXXGXQQTTDXKCE-WYUUTHIRSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000713106686 712452758 /nfs/dbraw/zinc/45/27/58/712452758.db2.gz OBBPUDJGZQLSNM-GXSJLCMTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000713106687 712452763 /nfs/dbraw/zinc/45/27/63/712452763.db2.gz OBBPUDJGZQLSNM-KOLCDFICSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000713106688 712452762 /nfs/dbraw/zinc/45/27/62/712452762.db2.gz OBBPUDJGZQLSNM-MWLCHTKSSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000713106689 712452670 /nfs/dbraw/zinc/45/26/70/712452670.db2.gz OBBPUDJGZQLSNM-ONGXEEELSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)C(C)C ZINC000713156721 712453370 /nfs/dbraw/zinc/45/33/70/712453370.db2.gz DNPZFLINSJCEKH-JTQLQIEISA-N 1 0 238.375 3.624 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)C(C)C ZINC000713156726 712453437 /nfs/dbraw/zinc/45/34/37/712453437.db2.gz DNPZFLINSJCEKH-SNVBAGLBSA-N 1 0 238.375 3.624 20 0 BHADRO CCC1([NH2+]Cc2scnc2Cl)CCCC1 ZINC000713461102 712460779 /nfs/dbraw/zinc/46/07/79/712460779.db2.gz BUESNOZTMASHFW-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1scnc1Cl ZINC000713462310 712460887 /nfs/dbraw/zinc/46/08/87/712460887.db2.gz XSFOYOAAJXFSFQ-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1scnc1Cl ZINC000713462311 712460763 /nfs/dbraw/zinc/46/07/63/712460763.db2.gz XSFOYOAAJXFSFQ-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000713490814 712462565 /nfs/dbraw/zinc/46/25/65/712462565.db2.gz LYALDGWCFYFBCH-DOGVGXBMSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000713490815 712462533 /nfs/dbraw/zinc/46/25/33/712462533.db2.gz LYALDGWCFYFBCH-SGUJLRQBSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000713490816 712462594 /nfs/dbraw/zinc/46/25/94/712462594.db2.gz LYALDGWCFYFBCH-WYGGZMRJSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000713490817 712462611 /nfs/dbraw/zinc/46/26/11/712462611.db2.gz LYALDGWCFYFBCH-ZWNMCFTASA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000713497257 712462898 /nfs/dbraw/zinc/46/28/98/712462898.db2.gz XEVCKQOBSMIACX-FGEFZZPRSA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000713497258 712463032 /nfs/dbraw/zinc/46/30/32/712463032.db2.gz XEVCKQOBSMIACX-GFVADAIESA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000713497259 712462998 /nfs/dbraw/zinc/46/29/98/712462998.db2.gz XEVCKQOBSMIACX-JYESYGNLSA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000713497260 712463054 /nfs/dbraw/zinc/46/30/54/712463054.db2.gz XEVCKQOBSMIACX-VQCYPWCPSA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000713497501 712463016 /nfs/dbraw/zinc/46/30/16/712463016.db2.gz ZQJHKGICFVCGKK-DOGVGXBMSA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000713497502 712463145 /nfs/dbraw/zinc/46/31/45/712463145.db2.gz ZQJHKGICFVCGKK-SGUJLRQBSA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000713497504 712463017 /nfs/dbraw/zinc/46/30/17/712463017.db2.gz ZQJHKGICFVCGKK-WYGGZMRJSA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000713497505 712463080 /nfs/dbraw/zinc/46/30/80/712463080.db2.gz ZQJHKGICFVCGKK-ZWNMCFTASA-N 1 0 235.293 3.829 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1scnc1Cl ZINC000713498123 712463022 /nfs/dbraw/zinc/46/30/22/712463022.db2.gz ZHSCCYODYHFDSJ-UHFFFAOYSA-N 1 0 246.807 3.855 20 0 BHADRO C=C/C=C\CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000713498332 712463111 /nfs/dbraw/zinc/46/31/11/712463111.db2.gz FMDCONSITMWVKD-ARJAWSKDSA-N 1 0 237.293 3.846 20 0 BHADRO C=C/C=C/CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000713498333 712462988 /nfs/dbraw/zinc/46/29/88/712462988.db2.gz FMDCONSITMWVKD-ONEGZZNKSA-N 1 0 237.293 3.846 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000713499829 712463648 /nfs/dbraw/zinc/46/36/48/712463648.db2.gz VSJYYYYLDLHECO-BLDJZWNYSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000713499830 712463508 /nfs/dbraw/zinc/46/35/08/712463508.db2.gz VSJYYYYLDLHECO-HEKLCECKSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000713499832 712463376 /nfs/dbraw/zinc/46/33/76/712463376.db2.gz VSJYYYYLDLHECO-OPVGQWETSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000713499833 712463524 /nfs/dbraw/zinc/46/35/24/712463524.db2.gz VSJYYYYLDLHECO-RRNNCXACSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C\CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000713500108 712463414 /nfs/dbraw/zinc/46/34/14/712463414.db2.gz WSOSDJVFWQRCKV-ARJAWSKDSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C/CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000713500109 712463579 /nfs/dbraw/zinc/46/35/79/712463579.db2.gz WSOSDJVFWQRCKV-ONEGZZNKSA-N 1 0 247.304 3.829 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000713504491 712463990 /nfs/dbraw/zinc/46/39/90/712463990.db2.gz XMJCOERQUCCLNS-ABCZVMIZSA-N 1 0 249.398 3.590 20 0 BHADRO C=C/C=C/CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000713504496 712464095 /nfs/dbraw/zinc/46/40/95/712464095.db2.gz XMJCOERQUCCLNS-BWPKMQGJSA-N 1 0 249.398 3.590 20 0 BHADRO C=C/C=C\CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000713504499 712463847 /nfs/dbraw/zinc/46/38/47/712463847.db2.gz XMJCOERQUCCLNS-JZIMQPMSSA-N 1 0 249.398 3.590 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000713504505 712464103 /nfs/dbraw/zinc/46/41/03/712464103.db2.gz XMJCOERQUCCLNS-NHZBNJEXSA-N 1 0 249.398 3.590 20 0 BHADRO Cc1nocc1C[NH2+]CCCCCCC(C)C ZINC000713506697 711491315 /nfs/dbraw/zinc/49/13/15/711491315.db2.gz DILSAVYJGYNWHH-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1conc1C ZINC000713507194 712463838 /nfs/dbraw/zinc/46/38/38/712463838.db2.gz NCXYQFBFKSQOTL-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1ccsc1 ZINC000713657808 712468281 /nfs/dbraw/zinc/46/82/81/712468281.db2.gz FXYVZGWKXDGSST-DOGVGXBMSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1ccsc1 ZINC000713657809 712468439 /nfs/dbraw/zinc/46/84/39/712468439.db2.gz FXYVZGWKXDGSST-SGUJLRQBSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1ccsc1 ZINC000713657810 712468553 /nfs/dbraw/zinc/46/85/53/712468553.db2.gz FXYVZGWKXDGSST-WYGGZMRJSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1ccsc1 ZINC000713657812 712468217 /nfs/dbraw/zinc/46/82/17/712468217.db2.gz FXYVZGWKXDGSST-ZWNMCFTASA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1cccs1 ZINC000713660962 712469102 /nfs/dbraw/zinc/46/91/02/712469102.db2.gz PDFNBIIMGPVBQX-DOGVGXBMSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1cccs1 ZINC000713660964 712469070 /nfs/dbraw/zinc/46/90/70/712469070.db2.gz PDFNBIIMGPVBQX-SGUJLRQBSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1cccs1 ZINC000713660965 712468871 /nfs/dbraw/zinc/46/88/71/712468871.db2.gz PDFNBIIMGPVBQX-WYGGZMRJSA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1cccs1 ZINC000713660966 712468956 /nfs/dbraw/zinc/46/89/56/712468956.db2.gz PDFNBIIMGPVBQX-ZWNMCFTASA-N 1 0 207.342 3.531 20 0 BHADRO C=C/C=C\CC[NH2+]C1CCC(CSC)CC1 ZINC000713751137 712471237 /nfs/dbraw/zinc/47/12/37/712471237.db2.gz WNKXFFRBMINRGK-PLNGDYQASA-N 1 0 239.428 3.630 20 0 BHADRO C=C/C=C/CC[NH2+]C1CCC(CSC)CC1 ZINC000713751140 712471035 /nfs/dbraw/zinc/47/10/35/712471035.db2.gz WNKXFFRBMINRGK-SNAWJCMRSA-N 1 0 239.428 3.630 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000713761537 712472080 /nfs/dbraw/zinc/47/20/80/712472080.db2.gz XYBMKVBGESSRIA-FGEFZZPRSA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000713761539 712472124 /nfs/dbraw/zinc/47/21/24/712472124.db2.gz XYBMKVBGESSRIA-GFVADAIESA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000713761540 712471931 /nfs/dbraw/zinc/47/19/31/712471931.db2.gz XYBMKVBGESSRIA-JYESYGNLSA-N 1 0 236.384 3.543 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000713761543 712471737 /nfs/dbraw/zinc/47/17/37/712471737.db2.gz XYBMKVBGESSRIA-VQCYPWCPSA-N 1 0 236.384 3.543 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+]Cc1cccs1 ZINC000713976216 712475536 /nfs/dbraw/zinc/47/55/36/712475536.db2.gz UYTLRYHTOMWNBS-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+]Cc1cccs1 ZINC000713976218 712475669 /nfs/dbraw/zinc/47/56/69/712475669.db2.gz UYTLRYHTOMWNBS-SNVBAGLBSA-N 1 0 245.338 3.663 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccccc1 ZINC000714446784 712489645 /nfs/dbraw/zinc/48/96/45/712489645.db2.gz BIYHFALBJLYMMV-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccccc1 ZINC000714446786 712489723 /nfs/dbraw/zinc/48/97/23/712489723.db2.gz BIYHFALBJLYMMV-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)C1CC([NH2+]CC(C)(C)CC(F)F)C1 ZINC000714654203 712495269 /nfs/dbraw/zinc/49/52/69/712495269.db2.gz GLPOSFTVESYBOO-UHFFFAOYSA-N 1 0 233.346 3.692 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccccc1 ZINC000714722486 712496173 /nfs/dbraw/zinc/49/61/73/712496173.db2.gz KCEJOZVXZSWKEH-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccccc1 ZINC000714722487 712496452 /nfs/dbraw/zinc/49/64/52/712496452.db2.gz KCEJOZVXZSWKEH-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO Clc1ccc(C2CC([NH2+][C@H]3CC34CC4)C2)cc1 ZINC000715371493 712521668 /nfs/dbraw/zinc/52/16/68/712521668.db2.gz QXXNQBANBCFQBD-UBHUBRDASA-N 1 0 247.769 3.728 20 0 BHADRO Clc1ccc(C2CC([NH2+][C@@H]3CC34CC4)C2)cc1 ZINC000715371496 712521708 /nfs/dbraw/zinc/52/17/08/712521708.db2.gz QXXNQBANBCFQBD-UXUKBGGZSA-N 1 0 247.769 3.728 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2)o1 ZINC000715593082 712527882 /nfs/dbraw/zinc/52/78/82/712527882.db2.gz DNMXSBATLSMDCH-NEPJUHHUSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2)o1 ZINC000715593084 712527688 /nfs/dbraw/zinc/52/76/88/712527688.db2.gz DNMXSBATLSMDCH-NWDGAFQWSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2)o1 ZINC000715593086 712527656 /nfs/dbraw/zinc/52/76/56/712527656.db2.gz DNMXSBATLSMDCH-RYUDHWBXSA-N 1 0 239.384 3.524 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2)o1 ZINC000715593088 712527798 /nfs/dbraw/zinc/52/77/98/712527798.db2.gz DNMXSBATLSMDCH-VXGBXAGGSA-N 1 0 239.384 3.524 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccs1 ZINC000715596357 712527651 /nfs/dbraw/zinc/52/76/51/712527651.db2.gz WQILERJVDHLJDL-GHMZBOCLSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccs1 ZINC000715596359 712527628 /nfs/dbraw/zinc/52/76/28/712527628.db2.gz WQILERJVDHLJDL-MNOVXSKESA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccs1 ZINC000715596926 712527585 /nfs/dbraw/zinc/52/75/85/712527585.db2.gz WQILERJVDHLJDL-QWRGUYRKSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1cccs1 ZINC000715596929 712527837 /nfs/dbraw/zinc/52/78/37/712527837.db2.gz WQILERJVDHLJDL-WDEREUQCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccsc1 ZINC000715754740 712531744 /nfs/dbraw/zinc/53/17/44/712531744.db2.gz NAHNSOUPFDVWCO-CMPLNLGQSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccsc1 ZINC000715754742 712531848 /nfs/dbraw/zinc/53/18/48/712531848.db2.gz NAHNSOUPFDVWCO-JQWIXIFHSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccsc1 ZINC000715754746 712531774 /nfs/dbraw/zinc/53/17/74/712531774.db2.gz NAHNSOUPFDVWCO-PWSUYJOCSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccsc1 ZINC000715754750 712531951 /nfs/dbraw/zinc/53/19/51/712531951.db2.gz NAHNSOUPFDVWCO-ZYHUDNBSSA-N 1 0 241.425 3.684 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1 ZINC000715836842 712534747 /nfs/dbraw/zinc/53/47/47/712534747.db2.gz DYOFMTUIBXKGDJ-GXTWGEPZSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1 ZINC000715836843 712534834 /nfs/dbraw/zinc/53/48/34/712534834.db2.gz DYOFMTUIBXKGDJ-JSGCOSHPSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1 ZINC000715836847 712534539 /nfs/dbraw/zinc/53/45/39/712534539.db2.gz DYOFMTUIBXKGDJ-OCCSQVGLSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1 ZINC000715836848 712534492 /nfs/dbraw/zinc/53/44/92/712534492.db2.gz DYOFMTUIBXKGDJ-TZMCWYRMSA-N 1 0 235.396 3.623 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccns1 ZINC000715901359 712541166 /nfs/dbraw/zinc/54/11/66/712541166.db2.gz WVSBWRSRVDBIMS-LLVKDONJSA-N 1 0 236.384 3.684 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccns1 ZINC000715901364 712541187 /nfs/dbraw/zinc/54/11/87/712541187.db2.gz WVSBWRSRVDBIMS-NSHDSACASA-N 1 0 236.384 3.684 20 0 BHADRO CC(C)C(C[NH2+][C@H](C)c1ccns1)C(C)C ZINC000715908669 712541791 /nfs/dbraw/zinc/54/17/91/712541791.db2.gz LHNSRTHOBDRSPC-LLVKDONJSA-N 1 0 240.416 3.722 20 0 BHADRO CC(C)C(C[NH2+][C@@H](C)c1ccns1)C(C)C ZINC000715908672 712541824 /nfs/dbraw/zinc/54/18/24/712541824.db2.gz LHNSRTHOBDRSPC-NSHDSACASA-N 1 0 240.416 3.722 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2ccns2)c1C ZINC000715918556 712542350 /nfs/dbraw/zinc/54/23/50/712542350.db2.gz GAFWNQYTNGMAKW-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2ccns2)c1C ZINC000715918560 712542045 /nfs/dbraw/zinc/54/20/45/712542045.db2.gz GAFWNQYTNGMAKW-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccns2)cc1C ZINC000715922245 712542741 /nfs/dbraw/zinc/54/27/41/712542741.db2.gz QEMSXNNHNMJZHC-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1C ZINC000715922246 712542626 /nfs/dbraw/zinc/54/26/26/712542626.db2.gz QEMSXNNHNMJZHC-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccns1)c1ccccc1 ZINC000715922848 712542695 /nfs/dbraw/zinc/54/26/95/712542695.db2.gz TWEDKCWDMOSBCB-NEPJUHHUSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccns1)c1ccccc1 ZINC000715922852 712542631 /nfs/dbraw/zinc/54/26/31/712542631.db2.gz TWEDKCWDMOSBCB-NWDGAFQWSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccns1)c1ccccc1 ZINC000715922854 712542436 /nfs/dbraw/zinc/54/24/36/712542436.db2.gz TWEDKCWDMOSBCB-RYUDHWBXSA-N 1 0 246.379 3.597 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccns1 ZINC000715922857 712542702 /nfs/dbraw/zinc/54/27/02/712542702.db2.gz TWEDKCWDMOSBCB-VXGBXAGGSA-N 1 0 246.379 3.597 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccns1)[C@H]1CC1(C)C ZINC000715922916 712542694 /nfs/dbraw/zinc/54/26/94/712542694.db2.gz TZWOPPGBHBOMFM-AXFHLTTASA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccns1)[C@@H]1CC1(C)C ZINC000715922920 712542438 /nfs/dbraw/zinc/54/24/38/712542438.db2.gz TZWOPPGBHBOMFM-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccns1)[C@H]1CC1(C)C ZINC000715922923 712542422 /nfs/dbraw/zinc/54/24/22/712542422.db2.gz TZWOPPGBHBOMFM-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccns1)[C@@H]1CC1(C)C ZINC000715922927 712542683 /nfs/dbraw/zinc/54/26/83/712542683.db2.gz TZWOPPGBHBOMFM-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccns1 ZINC000715923567 712542595 /nfs/dbraw/zinc/54/25/95/712542595.db2.gz WGGDHTKKQAWBBD-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccns1 ZINC000715923569 712542730 /nfs/dbraw/zinc/54/27/30/712542730.db2.gz WGGDHTKKQAWBBD-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)c2ccns2)c1 ZINC000715925025 712543162 /nfs/dbraw/zinc/54/31/62/712543162.db2.gz BFEUYPBQHUYSBF-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000715925027 712543220 /nfs/dbraw/zinc/54/32/20/712543220.db2.gz BFEUYPBQHUYSBF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715925588 712543101 /nfs/dbraw/zinc/54/31/01/712543101.db2.gz DJRLBPYEVYDQIY-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715925589 712543118 /nfs/dbraw/zinc/54/31/18/712543118.db2.gz DJRLBPYEVYDQIY-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715925590 712543008 /nfs/dbraw/zinc/54/30/08/712543008.db2.gz DJRLBPYEVYDQIY-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715925591 712543114 /nfs/dbraw/zinc/54/31/14/712543114.db2.gz DJRLBPYEVYDQIY-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1 ZINC000715925630 712543374 /nfs/dbraw/zinc/54/33/74/712543374.db2.gz FCRLRJPFTPOGMO-AAEUAGOBSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccns1)c1ccccc1 ZINC000715925631 712543042 /nfs/dbraw/zinc/54/30/42/712543042.db2.gz FCRLRJPFTPOGMO-DGCLKSJQSA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1 ZINC000715925633 712543366 /nfs/dbraw/zinc/54/33/66/712543366.db2.gz FCRLRJPFTPOGMO-WCQYABFASA-N 1 0 246.379 3.945 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccns1)c1ccccc1 ZINC000715925635 712543395 /nfs/dbraw/zinc/54/33/95/712543395.db2.gz FCRLRJPFTPOGMO-YPMHNXCESA-N 1 0 246.379 3.945 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000715927081 712543085 /nfs/dbraw/zinc/54/30/85/712543085.db2.gz MBCZKINTOYPCSX-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000715927084 712542996 /nfs/dbraw/zinc/54/29/96/712542996.db2.gz MBCZKINTOYPCSX-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000715927085 712543004 /nfs/dbraw/zinc/54/30/04/712543004.db2.gz MBCZKINTOYPCSX-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000715927088 712542939 /nfs/dbraw/zinc/54/29/39/712542939.db2.gz MBCZKINTOYPCSX-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccns2)c(C)c1 ZINC000715927106 712543179 /nfs/dbraw/zinc/54/31/79/712543179.db2.gz MFYYBOCWSPOVBU-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccns2)c(C)c1 ZINC000715927109 712543074 /nfs/dbraw/zinc/54/30/74/712543074.db2.gz MFYYBOCWSPOVBU-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCc1ccc(C[NH2+][C@H](C)c2ccns2)cc1 ZINC000715927239 712543345 /nfs/dbraw/zinc/54/33/45/712543345.db2.gz NLNINQIHOLHGSA-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1 ZINC000715927240 712543166 /nfs/dbraw/zinc/54/31/66/712543166.db2.gz NLNINQIHOLHGSA-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccns1 ZINC000715927576 712543112 /nfs/dbraw/zinc/54/31/12/712543112.db2.gz OKZMIEXQIPEXTJ-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccns1 ZINC000715927578 712543069 /nfs/dbraw/zinc/54/30/69/712543069.db2.gz OKZMIEXQIPEXTJ-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccns2)cc1 ZINC000715928070 712543285 /nfs/dbraw/zinc/54/32/85/712543285.db2.gz SAPFJQCGFCEMAP-NEPJUHHUSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccns2)cc1 ZINC000715928071 712542952 /nfs/dbraw/zinc/54/29/52/712542952.db2.gz SAPFJQCGFCEMAP-NWDGAFQWSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccns2)cc1 ZINC000715928072 712543320 /nfs/dbraw/zinc/54/33/20/712543320.db2.gz SAPFJQCGFCEMAP-RYUDHWBXSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccns2)cc1 ZINC000715928074 712543147 /nfs/dbraw/zinc/54/31/47/712543147.db2.gz SAPFJQCGFCEMAP-VXGBXAGGSA-N 1 0 246.379 3.863 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccns2)c1 ZINC000715929051 712543524 /nfs/dbraw/zinc/54/35/24/712543524.db2.gz XHLZFAAASXMLQF-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000715929061 712543757 /nfs/dbraw/zinc/54/37/57/712543757.db2.gz XHLZFAAASXMLQF-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCc1ccccc1C[NH2+][C@H](C)c1ccns1 ZINC000715929085 712543892 /nfs/dbraw/zinc/54/38/92/712543892.db2.gz XJLOBPUKGHEKNP-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1ccccc1C[NH2+][C@@H](C)c1ccns1 ZINC000715929088 712543487 /nfs/dbraw/zinc/54/34/87/712543487.db2.gz XJLOBPUKGHEKNP-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccns1 ZINC000715931433 712543740 /nfs/dbraw/zinc/54/37/40/712543740.db2.gz KZJXEVKUQGNSSK-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccns1 ZINC000715931434 712543575 /nfs/dbraw/zinc/54/35/75/712543575.db2.gz KZJXEVKUQGNSSK-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@H](C)c1ccns1 ZINC000715933739 712543644 /nfs/dbraw/zinc/54/36/44/712543644.db2.gz TWZBCHWWWOEILT-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1ccns1 ZINC000715933741 712543647 /nfs/dbraw/zinc/54/36/47/712543647.db2.gz TWZBCHWWWOEILT-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1ccns1 ZINC000715933744 712543639 /nfs/dbraw/zinc/54/36/39/712543639.db2.gz TWZBCHWWWOEILT-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)c1ccns1 ZINC000715933746 712543699 /nfs/dbraw/zinc/54/36/99/712543699.db2.gz TWZBCHWWWOEILT-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO CCC(C)(C)CC[NH2+][C@@H](C)c1ccns1 ZINC000715941580 712544562 /nfs/dbraw/zinc/54/45/62/712544562.db2.gz KQWHLPUOGMVOOW-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO CCC(C)(C)CC[NH2+][C@H](C)c1ccns1 ZINC000715941582 712544513 /nfs/dbraw/zinc/54/45/13/712544513.db2.gz KQWHLPUOGMVOOW-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccns1 ZINC000715948566 712545003 /nfs/dbraw/zinc/54/50/03/712545003.db2.gz DRIYGSYVQHLMQZ-JTQLQIEISA-N 1 0 226.389 3.620 20 0 BHADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccns1 ZINC000715948567 712545086 /nfs/dbraw/zinc/54/50/86/712545086.db2.gz DRIYGSYVQHLMQZ-SNVBAGLBSA-N 1 0 226.389 3.620 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccns1 ZINC000715966370 712546110 /nfs/dbraw/zinc/54/61/10/712546110.db2.gz OCJZUSZMQZZFHI-CMPLNLGQSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccns1 ZINC000715966372 712546605 /nfs/dbraw/zinc/54/66/05/712546605.db2.gz OCJZUSZMQZZFHI-JQWIXIFHSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccns1 ZINC000715966374 712546087 /nfs/dbraw/zinc/54/60/87/712546087.db2.gz OCJZUSZMQZZFHI-PWSUYJOCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccns1 ZINC000715966377 712546126 /nfs/dbraw/zinc/54/61/26/712546126.db2.gz OCJZUSZMQZZFHI-ZYHUDNBSSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+]C1CCCCCC1)c1ccns1 ZINC000715990677 711562439 /nfs/dbraw/zinc/56/24/39/711562439.db2.gz AINIYXXVDVZIMK-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCC1)c1ccns1 ZINC000715990679 711562450 /nfs/dbraw/zinc/56/24/50/711562450.db2.gz AINIYXXVDVZIMK-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1ccns1 ZINC000715992345 712551295 /nfs/dbraw/zinc/55/12/95/712551295.db2.gz RCAGVFWZMLAYRI-NEPJUHHUSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1ccns1 ZINC000715992347 712551463 /nfs/dbraw/zinc/55/14/63/712551463.db2.gz RCAGVFWZMLAYRI-NWDGAFQWSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1ccns1 ZINC000715992349 712551281 /nfs/dbraw/zinc/55/12/81/712551281.db2.gz RCAGVFWZMLAYRI-RYUDHWBXSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1ccns1 ZINC000715992351 712551376 /nfs/dbraw/zinc/55/13/76/712551376.db2.gz RCAGVFWZMLAYRI-VXGBXAGGSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccns1 ZINC000715997075 712551839 /nfs/dbraw/zinc/55/18/39/712551839.db2.gz JIFGWIFNUBEJDU-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccns1 ZINC000715997076 712551928 /nfs/dbraw/zinc/55/19/28/712551928.db2.gz JIFGWIFNUBEJDU-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1ccns1 ZINC000715997077 712551658 /nfs/dbraw/zinc/55/16/58/712551658.db2.gz JIFGWIFNUBEJDU-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccns1 ZINC000715997079 712551607 /nfs/dbraw/zinc/55/16/07/712551607.db2.gz JIFGWIFNUBEJDU-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cccs1 ZINC000715998509 712551667 /nfs/dbraw/zinc/55/16/67/712551667.db2.gz OBAIURVDIYVUMP-BDAKNGLRSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccns1 ZINC000715998512 712551573 /nfs/dbraw/zinc/55/15/73/712551573.db2.gz OBAIURVDIYVUMP-DTWKUNHWSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccns1)c1cccs1 ZINC000715998790 712551850 /nfs/dbraw/zinc/55/18/50/712551850.db2.gz OBAIURVDIYVUMP-IUCAKERBSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccns1)c1cccs1 ZINC000715998833 712551880 /nfs/dbraw/zinc/55/18/80/712551880.db2.gz OBAIURVDIYVUMP-RKDXNWHRSA-N 1 0 238.381 3.616 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715999266 712551852 /nfs/dbraw/zinc/55/18/52/712551852.db2.gz PORMXXILXOPJAP-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715999269 712551635 /nfs/dbraw/zinc/55/16/35/712551635.db2.gz PORMXXILXOPJAP-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715999272 712551604 /nfs/dbraw/zinc/55/16/04/712551604.db2.gz PORMXXILXOPJAP-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715999274 712551815 /nfs/dbraw/zinc/55/18/15/712551815.db2.gz PORMXXILXOPJAP-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715999285 712551784 /nfs/dbraw/zinc/55/17/84/712551784.db2.gz PTAHJVBOEIOQFM-GHMZBOCLSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715999288 712551817 /nfs/dbraw/zinc/55/18/17/712551817.db2.gz PTAHJVBOEIOQFM-MNOVXSKESA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715999290 712551590 /nfs/dbraw/zinc/55/15/90/712551590.db2.gz PTAHJVBOEIOQFM-QWRGUYRKSA-N 1 0 226.389 3.618 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715999291 712551745 /nfs/dbraw/zinc/55/17/45/712551745.db2.gz PTAHJVBOEIOQFM-WDEREUQCSA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccsc1 ZINC000716000429 712551566 /nfs/dbraw/zinc/55/15/66/712551566.db2.gz SYIVPRAGDNWDMZ-BDAKNGLRSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccns1 ZINC000716000433 712552224 /nfs/dbraw/zinc/55/22/24/712552224.db2.gz SYIVPRAGDNWDMZ-DTWKUNHWSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccns1)c1ccsc1 ZINC000716000438 712552165 /nfs/dbraw/zinc/55/21/65/712552165.db2.gz SYIVPRAGDNWDMZ-IUCAKERBSA-N 1 0 238.381 3.616 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccns1)c1ccsc1 ZINC000716000440 712552199 /nfs/dbraw/zinc/55/21/99/712552199.db2.gz SYIVPRAGDNWDMZ-RKDXNWHRSA-N 1 0 238.381 3.616 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1ccns1 ZINC000716000465 712552122 /nfs/dbraw/zinc/55/21/22/712552122.db2.gz TVFJYVXGWSKFGF-JTQLQIEISA-N 1 0 226.389 3.763 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1ccns1 ZINC000716000468 712552061 /nfs/dbraw/zinc/55/20/61/712552061.db2.gz TVFJYVXGWSKFGF-SNVBAGLBSA-N 1 0 226.389 3.763 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccns1 ZINC000716001141 712552198 /nfs/dbraw/zinc/55/21/98/712552198.db2.gz VKWAOBIITLIRSU-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccns1 ZINC000716001142 712552084 /nfs/dbraw/zinc/55/20/84/712552084.db2.gz VKWAOBIITLIRSU-SDDRHHMPSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccns1 ZINC000716001143 712552087 /nfs/dbraw/zinc/55/20/87/712552087.db2.gz VKWAOBIITLIRSU-SRVKXCTJSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)c1ccns1 ZINC000716001144 712552269 /nfs/dbraw/zinc/55/22/69/712552269.db2.gz VKWAOBIITLIRSU-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000716001962 712552228 /nfs/dbraw/zinc/55/22/28/712552228.db2.gz XQLXSIQWMIBFMX-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000716001963 712552291 /nfs/dbraw/zinc/55/22/91/712552291.db2.gz XQLXSIQWMIBFMX-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000716001964 712552131 /nfs/dbraw/zinc/55/21/31/712552131.db2.gz XQLXSIQWMIBFMX-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000716001965 712552204 /nfs/dbraw/zinc/55/22/04/712552204.db2.gz XQLXSIQWMIBFMX-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccns1 ZINC000716029007 712547477 /nfs/dbraw/zinc/54/74/77/712547477.db2.gz GFYJBJHTPKZHPV-GHMZBOCLSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1 ZINC000716029009 712547247 /nfs/dbraw/zinc/54/72/47/712547247.db2.gz GFYJBJHTPKZHPV-MNOVXSKESA-N 1 0 232.352 3.555 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccns1 ZINC000716029011 712547275 /nfs/dbraw/zinc/54/72/75/712547275.db2.gz GFYJBJHTPKZHPV-QWRGUYRKSA-N 1 0 232.352 3.555 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccns1 ZINC000716029013 712547338 /nfs/dbraw/zinc/54/73/38/712547338.db2.gz GFYJBJHTPKZHPV-WDEREUQCSA-N 1 0 232.352 3.555 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccns1)C1CCCC1 ZINC000716032420 712547425 /nfs/dbraw/zinc/54/74/25/712547425.db2.gz YIXUMDMIWWJIQT-CMPLNLGQSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccns1)C1CCCC1 ZINC000716032421 712547236 /nfs/dbraw/zinc/54/72/36/712547236.db2.gz YIXUMDMIWWJIQT-JQWIXIFHSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccns1)C1CCCC1 ZINC000716032423 712547218 /nfs/dbraw/zinc/54/72/18/712547218.db2.gz YIXUMDMIWWJIQT-PWSUYJOCSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccns1)C1CCCC1 ZINC000716032424 712547486 /nfs/dbraw/zinc/54/74/86/712547486.db2.gz YIXUMDMIWWJIQT-ZYHUDNBSSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1ccns1 ZINC000716045349 712547998 /nfs/dbraw/zinc/54/79/98/712547998.db2.gz AYSOYKSKVVJUBW-LLVKDONJSA-N 1 0 238.400 3.907 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1ccns1 ZINC000716045350 712548148 /nfs/dbraw/zinc/54/81/48/712548148.db2.gz AYSOYKSKVVJUBW-NSHDSACASA-N 1 0 238.400 3.907 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccns1 ZINC000716045810 712548073 /nfs/dbraw/zinc/54/80/73/712548073.db2.gz CLUHQOOXTUBASX-CXQJBGSLSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccns1 ZINC000716045811 712548002 /nfs/dbraw/zinc/54/80/02/712548002.db2.gz CLUHQOOXTUBASX-MOENNCHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1ccns1 ZINC000716046218 712548161 /nfs/dbraw/zinc/54/81/61/712548161.db2.gz FWIMXIMXMPZGSX-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1ccns1 ZINC000716046220 712548108 /nfs/dbraw/zinc/54/81/08/712548108.db2.gz FWIMXIMXMPZGSX-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccns1 ZINC000716046221 712548126 /nfs/dbraw/zinc/54/81/26/712548126.db2.gz FWIMXIMXMPZGSX-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccns1 ZINC000716046223 712548010 /nfs/dbraw/zinc/54/80/10/712548010.db2.gz FWIMXIMXMPZGSX-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccns1 ZINC000716046585 712548022 /nfs/dbraw/zinc/54/80/22/712548022.db2.gz HJOTXMHFCUMLCT-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccns1 ZINC000716046586 712548040 /nfs/dbraw/zinc/54/80/40/712548040.db2.gz HJOTXMHFCUMLCT-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccns1 ZINC000716046588 712548128 /nfs/dbraw/zinc/54/81/28/712548128.db2.gz HJOTXMHFCUMLCT-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccns1 ZINC000716046591 712548372 /nfs/dbraw/zinc/54/83/72/712548372.db2.gz HJOTXMHFCUMLCT-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccns1 ZINC000716046669 712548484 /nfs/dbraw/zinc/54/84/84/712548484.db2.gz IFZPBDHEPGQIKH-JTQLQIEISA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccns1 ZINC000716046670 712548319 /nfs/dbraw/zinc/54/83/19/712548319.db2.gz IFZPBDHEPGQIKH-SNVBAGLBSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000716047103 712548623 /nfs/dbraw/zinc/54/86/23/712548623.db2.gz JDIIWOSSCGEYBP-IJLUTSLNSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000716047104 712548659 /nfs/dbraw/zinc/54/86/59/712548659.db2.gz JDIIWOSSCGEYBP-QJPTWQEYSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000716047105 712548546 /nfs/dbraw/zinc/54/85/46/712548546.db2.gz JDIIWOSSCGEYBP-TUAOUCFPSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000716047106 712548478 /nfs/dbraw/zinc/54/84/78/712548478.db2.gz JDIIWOSSCGEYBP-UTUOFQBUSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+]CCC1CCCCC1)c1ccns1 ZINC000716047177 712548411 /nfs/dbraw/zinc/54/84/11/712548411.db2.gz KVDISLIVUIKLNV-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CCC1CCCCC1)c1ccns1 ZINC000716047179 712548332 /nfs/dbraw/zinc/54/83/32/712548332.db2.gz KVDISLIVUIKLNV-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccns1 ZINC000716047511 712548449 /nfs/dbraw/zinc/54/84/49/712548449.db2.gz MSHLXPPROGPKAK-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccns1 ZINC000716047512 712548338 /nfs/dbraw/zinc/54/83/38/712548338.db2.gz MSHLXPPROGPKAK-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)c1ccns1 ZINC000716047514 712548396 /nfs/dbraw/zinc/54/83/96/712548396.db2.gz MSHLXPPROGPKAK-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccns1 ZINC000716047515 712548334 /nfs/dbraw/zinc/54/83/34/712548334.db2.gz MSHLXPPROGPKAK-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCC1)c1ccns1 ZINC000716047540 712548351 /nfs/dbraw/zinc/54/83/51/712548351.db2.gz NGZSDGFYNSUXRJ-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCC1)c1ccns1 ZINC000716047542 712548549 /nfs/dbraw/zinc/54/85/49/712548549.db2.gz NGZSDGFYNSUXRJ-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000716048327 712548416 /nfs/dbraw/zinc/54/84/16/712548416.db2.gz QIZLGISJNJWSTB-UNXYVOJBSA-N 1 0 238.400 3.763 20 0 BHADRO CCC1CCC([NH2+][C@H](C)c2ccns2)CC1 ZINC000716048329 712548619 /nfs/dbraw/zinc/54/86/19/712548619.db2.gz QIZLGISJNJWSTB-VOMCLLRMSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccns1 ZINC000716048414 712548406 /nfs/dbraw/zinc/54/84/06/712548406.db2.gz RFDHYWIDAQFWJI-GHMZBOCLSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccns1)C1CCCCC1 ZINC000716048417 712548385 /nfs/dbraw/zinc/54/83/85/712548385.db2.gz RFDHYWIDAQFWJI-MNOVXSKESA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccns1 ZINC000716048421 711564463 /nfs/dbraw/zinc/56/44/63/711564463.db2.gz RFDHYWIDAQFWJI-QWRGUYRKSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccns1 ZINC000716048430 712548636 /nfs/dbraw/zinc/54/86/36/712548636.db2.gz RFDHYWIDAQFWJI-WDEREUQCSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccns1 ZINC000716049418 712548412 /nfs/dbraw/zinc/54/84/12/712548412.db2.gz WKZBCTHZFOTROG-KKOKHZNYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccns1 ZINC000716049419 712548444 /nfs/dbraw/zinc/54/84/44/712548444.db2.gz WKZBCTHZFOTROG-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccns1 ZINC000716049420 712548650 /nfs/dbraw/zinc/54/86/50/712548650.db2.gz WKZBCTHZFOTROG-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1ccns1 ZINC000716049421 712548378 /nfs/dbraw/zinc/54/83/78/712548378.db2.gz WKZBCTHZFOTROG-WYUUTHIRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccns1 ZINC000716049775 712548437 /nfs/dbraw/zinc/54/84/37/712548437.db2.gz XMBRXQQHTIOKIE-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccns1 ZINC000716049777 712548515 /nfs/dbraw/zinc/54/85/15/712548515.db2.gz XMBRXQQHTIOKIE-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1ccns1 ZINC000716049780 712548635 /nfs/dbraw/zinc/54/86/35/712548635.db2.gz XMBRXQQHTIOKIE-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1ccns1 ZINC000716049783 712548357 /nfs/dbraw/zinc/54/83/57/712548357.db2.gz XMBRXQQHTIOKIE-WRWGMCAJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccns1 ZINC000716049829 712548421 /nfs/dbraw/zinc/54/84/21/712548421.db2.gz XRNQGFORORFVNE-FIQHERPVSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccns1 ZINC000716049832 712548388 /nfs/dbraw/zinc/54/83/88/712548388.db2.gz XRNQGFORORFVNE-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccns1 ZINC000716049834 712548648 /nfs/dbraw/zinc/54/86/48/712548648.db2.gz XRNQGFORORFVNE-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccns1 ZINC000716049836 712548621 /nfs/dbraw/zinc/54/86/21/712548621.db2.gz XRNQGFORORFVNE-WISYIIOYSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccns1 ZINC000716049849 712548346 /nfs/dbraw/zinc/54/83/46/712548346.db2.gz XWAULAMPLCVVGD-GRYCIOLGSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)c1ccns1 ZINC000716049851 712548564 /nfs/dbraw/zinc/54/85/64/712548564.db2.gz XWAULAMPLCVVGD-IJLUTSLNSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccns1 ZINC000716049853 712548490 /nfs/dbraw/zinc/54/84/90/712548490.db2.gz XWAULAMPLCVVGD-UTUOFQBUSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)c1ccns1 ZINC000716049856 712548643 /nfs/dbraw/zinc/54/86/43/712548643.db2.gz XWAULAMPLCVVGD-WOPDTQHZSA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccns1 ZINC000716049876 712548313 /nfs/dbraw/zinc/54/83/13/712548313.db2.gz YCLZVNWPRTWNLP-GMTAPVOTSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000716049878 712548622 /nfs/dbraw/zinc/54/86/22/712548622.db2.gz YCLZVNWPRTWNLP-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccns1 ZINC000716049881 712548337 /nfs/dbraw/zinc/54/83/37/712548337.db2.gz YCLZVNWPRTWNLP-MXWKQRLJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000716049883 712548405 /nfs/dbraw/zinc/54/84/05/712548405.db2.gz YCLZVNWPRTWNLP-WHOHXGKFSA-N 1 0 238.400 3.618 20 0 BHADRO C([NH2+]C1CCCCC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716052487 712548373 /nfs/dbraw/zinc/54/83/73/712548373.db2.gz VSNCGKDTARMCDM-QXMXGUDHSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C(C)C ZINC000716056560 712549022 /nfs/dbraw/zinc/54/90/22/712549022.db2.gz BLAWBUDXUYRFOF-GSPSYOTPSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C(C)C ZINC000716056567 712548808 /nfs/dbraw/zinc/54/88/08/712548808.db2.gz BLAWBUDXUYRFOF-WTUNAVPPSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C(C)(C)C ZINC000716057960 712548869 /nfs/dbraw/zinc/54/88/69/712548869.db2.gz GEWGUWCHDSOHHE-ODWCKFRGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C(C)(C)C ZINC000716057963 712548883 /nfs/dbraw/zinc/54/88/83/712548883.db2.gz GEWGUWCHDSOHHE-WODVXLOZSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)(C)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716059152 712549380 /nfs/dbraw/zinc/54/93/80/712549380.db2.gz JJLFAGSRXXICAA-YHWZYXNKSA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716059193 712549159 /nfs/dbraw/zinc/54/91/59/712549159.db2.gz JYZVGCVQRVXCMT-DUJLVANISA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716059196 712549131 /nfs/dbraw/zinc/54/91/31/712549131.db2.gz JYZVGCVQRVXCMT-PJIALRRASA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716059199 712549140 /nfs/dbraw/zinc/54/91/40/712549140.db2.gz JYZVGCVQRVXCMT-WSOGJNRSSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716059200 712549237 /nfs/dbraw/zinc/54/92/37/712549237.db2.gz JYZVGCVQRVXCMT-YJBUHQLJSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716061173 712549325 /nfs/dbraw/zinc/54/93/25/712549325.db2.gz PJSPMFPBUMNVBF-FUDCBSFHSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716061175 712549201 /nfs/dbraw/zinc/54/92/01/712549201.db2.gz PJSPMFPBUMNVBF-RLAWYHOSSA-N 1 0 241.444 3.685 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CCCCC2CC2)cs1 ZINC000716330072 712554974 /nfs/dbraw/zinc/55/49/74/712554974.db2.gz DXKLRVYXLCYTTH-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CCCCC2CC2)cs1 ZINC000716330075 712555017 /nfs/dbraw/zinc/55/50/17/712555017.db2.gz DXKLRVYXLCYTTH-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO C(CCC1CC1)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000716370341 712556978 /nfs/dbraw/zinc/55/69/78/712556978.db2.gz QAVMUSOBKOVXRJ-AGUYFDCRSA-N 1 0 239.428 3.583 20 0 BHADRO FC1(F)CCC([NH2+]CCCCC2CC2)CC1 ZINC000716380079 712557395 /nfs/dbraw/zinc/55/73/95/712557395.db2.gz QKTUPVLFWVBYTQ-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CCOC1CCC([NH2+]CCCCC2CC2)CC1 ZINC000716384855 712557709 /nfs/dbraw/zinc/55/77/09/712557709.db2.gz JFNDDROQWKCCCW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]CCCCC2CC2)n1 ZINC000716396026 712558083 /nfs/dbraw/zinc/55/80/83/712558083.db2.gz BKXJPOMPWWNFMY-LLVKDONJSA-N 1 0 238.400 3.682 20 0 BHADRO Cc1csc([C@H](C)[NH2+]CCCCC2CC2)n1 ZINC000716396028 712557982 /nfs/dbraw/zinc/55/79/82/712557982.db2.gz BKXJPOMPWWNFMY-NSHDSACASA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716984238 712602750 /nfs/dbraw/zinc/60/27/50/712602750.db2.gz CSMWAOZIBGNOGK-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716984240 712602701 /nfs/dbraw/zinc/60/27/01/712602701.db2.gz CSMWAOZIBGNOGK-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716984242 712602823 /nfs/dbraw/zinc/60/28/23/712602823.db2.gz CSMWAOZIBGNOGK-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716984244 712602784 /nfs/dbraw/zinc/60/27/84/712602784.db2.gz CSMWAOZIBGNOGK-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)C(C)(C)C ZINC000716987379 712602675 /nfs/dbraw/zinc/60/26/75/712602675.db2.gz LNIKIMIINAGBOY-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)C(C)(C)C ZINC000716987380 712602766 /nfs/dbraw/zinc/60/27/66/712602766.db2.gz LNIKIMIINAGBOY-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)C(C)(C)C ZINC000716987381 712602828 /nfs/dbraw/zinc/60/28/28/712602828.db2.gz LNIKIMIINAGBOY-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)C(C)(C)C ZINC000716987382 712602819 /nfs/dbraw/zinc/60/28/19/712602819.db2.gz LNIKIMIINAGBOY-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)C(C)C ZINC000716987397 712602731 /nfs/dbraw/zinc/60/27/31/712602731.db2.gz MEAKYRVARZPGNV-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)C(C)C ZINC000716987398 712602832 /nfs/dbraw/zinc/60/28/32/712602832.db2.gz MEAKYRVARZPGNV-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)C(C)C ZINC000716987399 712602704 /nfs/dbraw/zinc/60/27/04/712602704.db2.gz MEAKYRVARZPGNV-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)C(C)C ZINC000716987400 712602706 /nfs/dbraw/zinc/60/27/06/712602706.db2.gz MEAKYRVARZPGNV-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716989010 712603056 /nfs/dbraw/zinc/60/30/56/712603056.db2.gz SCXADSYIULQQBB-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716989011 712603007 /nfs/dbraw/zinc/60/30/07/712603007.db2.gz SCXADSYIULQQBB-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716989012 711590216 /nfs/dbraw/zinc/59/02/16/711590216.db2.gz SCXADSYIULQQBB-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716989013 712603036 /nfs/dbraw/zinc/60/30/36/712603036.db2.gz SCXADSYIULQQBB-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO FC1(F)CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000717051835 712625642 /nfs/dbraw/zinc/62/56/42/712625642.db2.gz RCLYOJNLSWRASX-DMDPSCGWSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000717051841 712625635 /nfs/dbraw/zinc/62/56/35/712625635.db2.gz RCLYOJNLSWRASX-GVXVVHGQSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)(F)C1CCC([NH2+]CC2CC=CC2)CC1 ZINC000717296333 712645560 /nfs/dbraw/zinc/64/55/60/712645560.db2.gz MPWHIHAIKOYBMV-UHFFFAOYSA-N 1 0 247.304 3.663 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1c(F)cccc1F ZINC000717296825 712645550 /nfs/dbraw/zinc/64/55/50/712645550.db2.gz PTLCOUWSQDTAPK-JTQLQIEISA-N 1 0 237.293 3.582 20 0 BHADRO CC[C@H]([NH2+]CC1CC=CC1)c1ccccc1OC ZINC000717333834 712649316 /nfs/dbraw/zinc/64/93/16/712649316.db2.gz UYQJNMWPKUPWBG-HNNXBMFYSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccccc1OC ZINC000717333838 712649269 /nfs/dbraw/zinc/64/92/69/712649269.db2.gz UYQJNMWPKUPWBG-OAHLLOKOSA-N 1 0 245.366 3.702 20 0 BHADRO CC[C@H](C[NH2+]C1(C2CC2)CCC1)CC(F)F ZINC000717819238 712681540 /nfs/dbraw/zinc/68/15/40/712681540.db2.gz IDRTXJPEUAMLGZ-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H](C[NH2+]C1(C2CC2)CCC1)CC(F)F ZINC000717819346 712681312 /nfs/dbraw/zinc/68/13/12/712681312.db2.gz IDRTXJPEUAMLGZ-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO c1cc2cc(C[NH2+]C3(C4CC4)CCC3)ccc2[nH]1 ZINC000717854842 712600859 /nfs/dbraw/zinc/60/08/59/712600859.db2.gz ZLGNGVUQPLEDRA-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2ccc(C[NH2+]C3(C4CC4)CCC3)cc2[nH]1 ZINC000717857171 712624433 /nfs/dbraw/zinc/62/44/33/712624433.db2.gz GERBSRNYQJNXLJ-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2c(cccc2C[NH2+]C2(C3CC3)CCC2)[nH]1 ZINC000717857927 712629368 /nfs/dbraw/zinc/62/93/68/712629368.db2.gz SLXFXACQGLNGLW-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO c1cc2cccc(C[NH2+]C3(C4CC4)CCC3)c2[nH]1 ZINC000717858791 712635273 /nfs/dbraw/zinc/63/52/73/712635273.db2.gz XODUBPLQQKWRSX-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)s1 ZINC000717962370 712736192 /nfs/dbraw/zinc/73/61/92/712736192.db2.gz NFTVOWKNIMYHFW-LURJTMIESA-N 1 0 235.274 3.580 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1ccc(C(F)(F)F)s1 ZINC000717962371 712735907 /nfs/dbraw/zinc/73/59/07/712735907.db2.gz NFTVOWKNIMYHFW-ZCFIWIBFSA-N 1 0 235.274 3.580 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1ccc(C(F)(F)F)s1 ZINC000717969698 712736139 /nfs/dbraw/zinc/73/61/39/712736139.db2.gz UIDDZNTZIYEYGN-SSDOTTSWSA-N 1 0 249.301 3.828 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1ccc(C(F)(F)F)s1 ZINC000717969711 712735714 /nfs/dbraw/zinc/73/57/14/712735714.db2.gz UIDDZNTZIYEYGN-ZETCQYMHSA-N 1 0 249.301 3.828 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1ccc(C(F)(F)F)s1 ZINC000717970106 712735905 /nfs/dbraw/zinc/73/59/05/712735905.db2.gz WYLBNLGYVZCVOG-SSDOTTSWSA-N 1 0 249.301 3.970 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1ccc(C(F)(F)F)s1 ZINC000717970107 712735995 /nfs/dbraw/zinc/73/59/95/712735995.db2.gz WYLBNLGYVZCVOG-ZETCQYMHSA-N 1 0 249.301 3.970 20 0 BHADRO FC1(F)CCC([NH2+]C2CCC=CCC2)CC1 ZINC000718029173 712736793 /nfs/dbraw/zinc/73/67/93/712736793.db2.gz JVBFHURCUVTVOH-UHFFFAOYSA-N 1 0 229.314 3.653 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000718036869 712737258 /nfs/dbraw/zinc/73/72/58/712737258.db2.gz VDCSHIQRMLQXQL-CYBMUJFWSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000718036870 712737520 /nfs/dbraw/zinc/73/75/20/712737520.db2.gz VDCSHIQRMLQXQL-ZDUSSCGKSA-N 1 0 247.363 3.817 20 0 BHADRO Cc1coc(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000718037238 712737479 /nfs/dbraw/zinc/73/74/79/712737479.db2.gz XCQGFEKAXYLMGU-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1coc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000718037239 712737456 /nfs/dbraw/zinc/73/74/56/712737456.db2.gz XCQGFEKAXYLMGU-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CCC=CCC1 ZINC000718041156 712738335 /nfs/dbraw/zinc/73/83/35/712738335.db2.gz YNQGHDBUUJQSCA-HNNXBMFYSA-N 1 0 242.366 3.547 20 0 BHADRO c1cnc2c(c1)CCC[C@H]2[NH2+]C1CCC=CCC1 ZINC000718041159 712737957 /nfs/dbraw/zinc/73/79/57/712737957.db2.gz YNQGHDBUUJQSCA-OAHLLOKOSA-N 1 0 242.366 3.547 20 0 BHADRO Cc1coc(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000718044182 712737913 /nfs/dbraw/zinc/73/79/13/712737913.db2.gz KTWLXGXJSNGPQS-UHFFFAOYSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1csc([C@@H](C)[NH2+]C2CCC=CCC2)n1 ZINC000718048372 712738658 /nfs/dbraw/zinc/73/86/58/712738658.db2.gz RBDKTMSMLMHYEO-LLVKDONJSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1csc([C@H](C)[NH2+]C2CCC=CCC2)n1 ZINC000718048375 712738789 /nfs/dbraw/zinc/73/87/89/712738789.db2.gz RBDKTMSMLMHYEO-NSHDSACASA-N 1 0 236.384 3.601 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000718057688 712740165 /nfs/dbraw/zinc/74/01/65/712740165.db2.gz INOGWGTVURPMFH-LLVKDONJSA-N 1 0 235.352 3.809 20 0 BHADRO Cc1coc(C[NH2+][C@@H](C)c2ccc(C)s2)c1 ZINC000718057695 712740149 /nfs/dbraw/zinc/74/01/49/712740149.db2.gz INOGWGTVURPMFH-NSHDSACASA-N 1 0 235.352 3.809 20 0 BHADRO CCc1ccc(C[NH2+]Cc2cc(C)co2)s1 ZINC000718060364 712740052 /nfs/dbraw/zinc/74/00/52/712740052.db2.gz ZLHDSXBJNHKRKB-UHFFFAOYSA-N 1 0 235.352 3.502 20 0 BHADRO CSCCCCCC[NH2+]Cc1cc(C)co1 ZINC000718065357 712741368 /nfs/dbraw/zinc/74/13/68/712741368.db2.gz DHSDRVNLUMKIJR-UHFFFAOYSA-N 1 0 241.400 3.601 20 0 BHADRO C1=CCCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000718073976 712741329 /nfs/dbraw/zinc/74/13/29/712741329.db2.gz UGZPFURYOWAXEW-HNNXBMFYSA-N 1 0 249.398 3.567 20 0 BHADRO C1=CCCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000718073979 712741536 /nfs/dbraw/zinc/74/15/36/712741536.db2.gz UGZPFURYOWAXEW-OAHLLOKOSA-N 1 0 249.398 3.567 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000718074109 712741386 /nfs/dbraw/zinc/74/13/86/712741386.db2.gz VCBQAGUKGWEEKU-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000718074112 712741553 /nfs/dbraw/zinc/74/15/53/712741553.db2.gz VCBQAGUKGWEEKU-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1coc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000718074528 712741451 /nfs/dbraw/zinc/74/14/51/712741451.db2.gz XCQITVOFSDPTTJ-INIZCTEOSA-N 1 0 241.334 3.829 20 0 BHADRO Cc1coc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000718074533 712741280 /nfs/dbraw/zinc/74/12/80/712741280.db2.gz XCQITVOFSDPTTJ-MRXNPFEDSA-N 1 0 241.334 3.829 20 0 BHADRO c1sc(C2CC2)nc1C[NH2+]C1CCC=CCC1 ZINC000718076896 712741213 /nfs/dbraw/zinc/74/12/13/712741213.db2.gz HBTRTRWJTPXYJO-UHFFFAOYSA-N 1 0 248.395 3.609 20 0 BHADRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(C)co1 ZINC000718091120 712741990 /nfs/dbraw/zinc/74/19/90/712741990.db2.gz APKIKEDGZOFGBY-UHFFFAOYSA-N 1 0 245.313 3.749 20 0 BHADRO Cc1nc([C@H](C)[NH2+]C2CCC=CCC2)cs1 ZINC000718093650 712742416 /nfs/dbraw/zinc/74/24/16/712742416.db2.gz NALZDIKOTOKKKQ-JTQLQIEISA-N 1 0 236.384 3.601 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]C2CCC=CCC2)cs1 ZINC000718093652 712742205 /nfs/dbraw/zinc/74/22/05/712742205.db2.gz NALZDIKOTOKKKQ-SNVBAGLBSA-N 1 0 236.384 3.601 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)co1)c1ccccc1 ZINC000718095926 712743069 /nfs/dbraw/zinc/74/30/69/712743069.db2.gz FYYYVMRSHGXUGZ-HNNXBMFYSA-N 1 0 229.323 3.829 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)co1)c1ccccc1 ZINC000718095928 712742907 /nfs/dbraw/zinc/74/29/07/712742907.db2.gz FYYYVMRSHGXUGZ-OAHLLOKOSA-N 1 0 229.323 3.829 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000718097234 712742664 /nfs/dbraw/zinc/74/26/64/712742664.db2.gz LBQXMWDJGAZYJI-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1coc(C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000718098255 712742579 /nfs/dbraw/zinc/74/25/79/712742579.db2.gz OQNOSHUGNOVGNH-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO C[C@@H]([NH2+]C1CCC=CCC1)c1cccc(O)c1 ZINC000718100417 712742990 /nfs/dbraw/zinc/74/29/90/712742990.db2.gz YXDZAFGQYWRYQD-GFCCVEGCSA-N 1 0 231.339 3.542 20 0 BHADRO C[C@H]([NH2+]C1CCC=CCC1)c1cccc(O)c1 ZINC000718100418 712742587 /nfs/dbraw/zinc/74/25/87/712742587.db2.gz YXDZAFGQYWRYQD-LBPRGKRZSA-N 1 0 231.339 3.542 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000718100663 712743058 /nfs/dbraw/zinc/74/30/58/712743058.db2.gz XSWDIYVUXNIMCW-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1coc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000718100668 712743024 /nfs/dbraw/zinc/74/30/24/712743024.db2.gz XSWDIYVUXNIMCW-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1coc(C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000718118264 712744452 /nfs/dbraw/zinc/74/44/52/712744452.db2.gz IKYWXWQCRDBHJC-JTQLQIEISA-N 1 0 221.325 3.500 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000718118268 712744406 /nfs/dbraw/zinc/74/44/06/712744406.db2.gz IKYWXWQCRDBHJC-SNVBAGLBSA-N 1 0 221.325 3.500 20 0 BHADRO C1=CCCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000718134120 712747376 /nfs/dbraw/zinc/74/73/76/712747376.db2.gz PPLPSBXZBCNGPU-AGUYFDCRSA-N 1 0 237.412 3.501 20 0 BHADRO CC[C@H](C[NH2+]Cc1cc(C)co1)CC(F)(F)F ZINC000718145495 712748775 /nfs/dbraw/zinc/74/87/75/712748775.db2.gz NLTJSCCVCDURDR-JTQLQIEISA-N 1 0 249.276 3.656 20 0 BHADRO CC[C@@H](C[NH2+]Cc1cc(C)co1)CC(F)(F)F ZINC000718145497 712748697 /nfs/dbraw/zinc/74/86/97/712748697.db2.gz NLTJSCCVCDURDR-SNVBAGLBSA-N 1 0 249.276 3.656 20 0 BHADRO Cc1coc(C[NH2+]Cc2csc(C)c2C)c1 ZINC000718146529 712748598 /nfs/dbraw/zinc/74/85/98/712748598.db2.gz SFSNOLVBYVOARD-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cnc(Cl)s1 ZINC000718186445 712752236 /nfs/dbraw/zinc/75/22/36/712752236.db2.gz KBRRDTXQYCHBNK-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cnc(Cl)s1 ZINC000718186447 712752272 /nfs/dbraw/zinc/75/22/72/712752272.db2.gz KBRRDTXQYCHBNK-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO Clc1ncc(C[NH2+]C2CCCCCC2)s1 ZINC000718187324 712752311 /nfs/dbraw/zinc/75/23/11/712752311.db2.gz MTNADWOPPMSRBM-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO C[C@H](C[NH2+]Cc1cnc(Cl)s1)C(C)(C)C ZINC000718187828 712752568 /nfs/dbraw/zinc/75/25/68/712752568.db2.gz QOWRABZYAHXMQC-MRVPVSSYSA-N 1 0 246.807 3.568 20 0 BHADRO C[C@@H](C[NH2+]Cc1cnc(Cl)s1)C(C)(C)C ZINC000718187830 712752650 /nfs/dbraw/zinc/75/26/50/712752650.db2.gz QOWRABZYAHXMQC-QMMMGPOBSA-N 1 0 246.807 3.568 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718187945 712752828 /nfs/dbraw/zinc/75/28/28/712752828.db2.gz UMYCPNIFBIUXDI-SECBINFHSA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718187946 712752773 /nfs/dbraw/zinc/75/27/73/712752773.db2.gz UMYCPNIFBIUXDI-VIFPVBQESA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)CC1([NH2+]CCCC(C)(F)F)CC1 ZINC000718286962 712754960 /nfs/dbraw/zinc/75/49/60/712754960.db2.gz PWQFROKVYYIZOH-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CCC1([NH2+]CCCC(C)(F)F)CCCC1 ZINC000718325620 712755204 /nfs/dbraw/zinc/75/52/04/712755204.db2.gz TYHYDSNUXOGXNL-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000718327193 712755238 /nfs/dbraw/zinc/75/52/38/712755238.db2.gz HEMBWHUOPIJBPC-KBPBESRZSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000718327632 712755365 /nfs/dbraw/zinc/75/53/65/712755365.db2.gz HEMBWHUOPIJBPC-KGLIPLIRSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000718327635 712755402 /nfs/dbraw/zinc/75/54/02/712755402.db2.gz HEMBWHUOPIJBPC-UONOGXRCSA-N 1 0 241.419 3.604 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C(C(C)C)C(C)C)CC1 ZINC000718327639 712755350 /nfs/dbraw/zinc/75/53/50/712755350.db2.gz HEMBWHUOPIJBPC-ZIAGYGMSSA-N 1 0 241.419 3.604 20 0 BHADRO CC(F)(F)CCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000718327658 712755393 /nfs/dbraw/zinc/75/53/93/712755393.db2.gz HKEWPMACEKQRLO-LLVKDONJSA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000718327659 712755338 /nfs/dbraw/zinc/75/53/38/712755338.db2.gz HKEWPMACEKQRLO-NSHDSACASA-N 1 0 233.346 3.836 20 0 BHADRO CC(F)(F)CCC[NH2+]C(C)(C)c1ccccc1 ZINC000718374131 712757526 /nfs/dbraw/zinc/75/75/26/712757526.db2.gz RUSXVNYKXLZEDV-UHFFFAOYSA-N 1 0 241.325 3.947 20 0 BHADRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000718683445 712777116 /nfs/dbraw/zinc/77/71/16/712777116.db2.gz CCHQCEGDPQHJCS-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000718683448 712777497 /nfs/dbraw/zinc/77/74/97/712777497.db2.gz CCHQCEGDPQHJCS-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO COCC(C)(C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000718683760 712777292 /nfs/dbraw/zinc/77/72/92/712777292.db2.gz DPOJSHGUVVUDKM-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO COCC(C)(C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000718683762 712777371 /nfs/dbraw/zinc/77/73/71/712777371.db2.gz DPOJSHGUVVUDKM-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)COC)c1ccccc1 ZINC000718685918 712777188 /nfs/dbraw/zinc/77/71/88/712777188.db2.gz OVOVRAHIUPFEPW-HNNXBMFYSA-N 1 0 249.398 3.790 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)COC)c1ccccc1 ZINC000718685919 712777040 /nfs/dbraw/zinc/77/70/40/712777040.db2.gz OVOVRAHIUPFEPW-OAHLLOKOSA-N 1 0 249.398 3.790 20 0 BHADRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC000718687359 712776987 /nfs/dbraw/zinc/77/69/87/712776987.db2.gz UXXUAIJKYMAWQL-AWEZNQCLSA-N 1 0 249.398 3.708 20 0 BHADRO COCC(C)(C)CC[NH2+][C@H](C)c1ccccc1C ZINC000718687360 712777077 /nfs/dbraw/zinc/77/70/77/712777077.db2.gz UXXUAIJKYMAWQL-CQSZACIVSA-N 1 0 249.398 3.708 20 0 BHADRO Cc1[nH+]c2c(n1CCCC(C)(F)F)CCCC2 ZINC000718707185 712778307 /nfs/dbraw/zinc/77/83/07/712778307.db2.gz WTBXDAPZUMSIAT-UHFFFAOYSA-N 1 0 242.313 3.506 20 0 BHADRO C[C@H]([NH3+])c1ccc(OCCCC(C)(F)F)cc1 ZINC000718707378 712778124 /nfs/dbraw/zinc/77/81/24/712778124.db2.gz JPIGQCDWBPLMKQ-JTQLQIEISA-N 1 0 243.297 3.521 20 0 BHADRO C[C@@H]([NH3+])c1ccc(OCCCC(C)(F)F)cc1 ZINC000718707380 712777769 /nfs/dbraw/zinc/77/77/69/712777769.db2.gz JPIGQCDWBPLMKQ-SNVBAGLBSA-N 1 0 243.297 3.521 20 0 BHADRO CCC[C@H]([NH2+]CCC(C)(C)COC)C1CCC1 ZINC000718718314 712778751 /nfs/dbraw/zinc/77/87/51/712778751.db2.gz UCBLJAULQYVBOA-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H]([NH2+]CCC(C)(C)COC)C1CCC1 ZINC000718718316 712778815 /nfs/dbraw/zinc/77/88/15/712778815.db2.gz UCBLJAULQYVBOA-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000718734326 712779192 /nfs/dbraw/zinc/77/91/92/712779192.db2.gz MAMFBCKNRGJFNG-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC2CC2)CC1 ZINC000718734328 712779354 /nfs/dbraw/zinc/77/93/54/712779354.db2.gz MAMFBCKNRGJFNG-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000718734329 712779020 /nfs/dbraw/zinc/77/90/20/712779020.db2.gz MAMFBCKNRGJFNG-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC2CC2)CC1 ZINC000718734331 712779320 /nfs/dbraw/zinc/77/93/20/712779320.db2.gz MAMFBCKNRGJFNG-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000718737646 712779368 /nfs/dbraw/zinc/77/93/68/712779368.db2.gz VHZVJVSHZQGXAI-CWRNSKLLSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000718737648 712779079 /nfs/dbraw/zinc/77/90/79/712779079.db2.gz VHZVJVSHZQGXAI-FVQBIDKESA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000718737650 712779217 /nfs/dbraw/zinc/77/92/17/712779217.db2.gz VHZVJVSHZQGXAI-NUEKZKHPSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000718737652 712779266 /nfs/dbraw/zinc/77/92/66/712779266.db2.gz VHZVJVSHZQGXAI-VNQPRFMTSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000718754581 712780237 /nfs/dbraw/zinc/78/02/37/712780237.db2.gz IUQSMTXPMMQGQP-AJNGGQMLSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000718754584 712780138 /nfs/dbraw/zinc/78/01/38/712780138.db2.gz IUQSMTXPMMQGQP-KBUPBQIOSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000718754587 712780502 /nfs/dbraw/zinc/78/05/02/712780502.db2.gz IUQSMTXPMMQGQP-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000718754590 712780269 /nfs/dbraw/zinc/78/02/69/712780269.db2.gz IUQSMTXPMMQGQP-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000718757725 712780231 /nfs/dbraw/zinc/78/02/31/712780231.db2.gz BLHCVZMTDULCQE-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000718757726 712780491 /nfs/dbraw/zinc/78/04/91/712780491.db2.gz BLHCVZMTDULCQE-HZSPNIEDSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000718757727 712780515 /nfs/dbraw/zinc/78/05/15/712780515.db2.gz BLHCVZMTDULCQE-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000718757728 712780268 /nfs/dbraw/zinc/78/02/68/712780268.db2.gz BLHCVZMTDULCQE-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718771738 712781828 /nfs/dbraw/zinc/78/18/28/712781828.db2.gz ASFDVKKIMLSAFG-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718771740 712781918 /nfs/dbraw/zinc/78/19/18/712781918.db2.gz ASFDVKKIMLSAFG-KBXIAJHMSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718771743 712782017 /nfs/dbraw/zinc/78/20/17/712782017.db2.gz ASFDVKKIMLSAFG-QPSCCSFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718771744 712782104 /nfs/dbraw/zinc/78/21/04/712782104.db2.gz ASFDVKKIMLSAFG-TUVASFSCSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000718772783 712782349 /nfs/dbraw/zinc/78/23/49/712782349.db2.gz DBWGBCXJWIJNLQ-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000718772786 712782305 /nfs/dbraw/zinc/78/23/05/712782305.db2.gz DBWGBCXJWIJNLQ-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000718772789 712782405 /nfs/dbraw/zinc/78/24/05/712782405.db2.gz DBWGBCXJWIJNLQ-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC2(C)CCCC2)CC1 ZINC000718772792 712782490 /nfs/dbraw/zinc/78/24/90/712782490.db2.gz DBWGBCXJWIJNLQ-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000718775809 712782573 /nfs/dbraw/zinc/78/25/73/712782573.db2.gz LWBYWRBHNITGGS-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000718775812 712782614 /nfs/dbraw/zinc/78/26/14/712782614.db2.gz LWBYWRBHNITGGS-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000718775816 712782514 /nfs/dbraw/zinc/78/25/14/712782514.db2.gz LWBYWRBHNITGGS-CFVMTHIKSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000718775820 712782551 /nfs/dbraw/zinc/78/25/51/712782551.db2.gz LWBYWRBHNITGGS-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000718776334 712782585 /nfs/dbraw/zinc/78/25/85/712782585.db2.gz LWBYWRBHNITGGS-QEJZJMRPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000718776335 712782438 /nfs/dbraw/zinc/78/24/38/712782438.db2.gz LWBYWRBHNITGGS-SNPRPXQTSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000718776336 712782564 /nfs/dbraw/zinc/78/25/64/712782564.db2.gz LWBYWRBHNITGGS-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C2CCCC2)CC1 ZINC000718776337 712782318 /nfs/dbraw/zinc/78/23/18/712782318.db2.gz LWBYWRBHNITGGS-YUELXQCFSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000718780486 712782505 /nfs/dbraw/zinc/78/25/05/712782505.db2.gz XDPZQTMWFJWQQD-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000718780487 712782466 /nfs/dbraw/zinc/78/24/66/712782466.db2.gz XDPZQTMWFJWQQD-HZSPNIEDSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000718780488 712782575 /nfs/dbraw/zinc/78/25/75/712782575.db2.gz XDPZQTMWFJWQQD-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000718780490 712782628 /nfs/dbraw/zinc/78/26/28/712782628.db2.gz XDPZQTMWFJWQQD-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)CC1 ZINC000718785528 712782904 /nfs/dbraw/zinc/78/29/04/712782904.db2.gz CHUOWUHIFZJSJU-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC000718785529 712783130 /nfs/dbraw/zinc/78/31/30/712783130.db2.gz CHUOWUHIFZJSJU-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)CC1 ZINC000718785530 712783017 /nfs/dbraw/zinc/78/30/17/712783017.db2.gz CHUOWUHIFZJSJU-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC000718785531 712782769 /nfs/dbraw/zinc/78/27/69/712782769.db2.gz CHUOWUHIFZJSJU-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000718786701 712782927 /nfs/dbraw/zinc/78/29/27/712782927.db2.gz HCJSVENDKSVAKQ-BARDWOONSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000718786704 712782766 /nfs/dbraw/zinc/78/27/66/712782766.db2.gz HCJSVENDKSVAKQ-BYNSBNAKSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000718786707 712782772 /nfs/dbraw/zinc/78/27/72/712782772.db2.gz HCJSVENDKSVAKQ-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000718786709 712782775 /nfs/dbraw/zinc/78/27/75/712782775.db2.gz HCJSVENDKSVAKQ-XQLPTFJDSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC[C@H](OC)CC2)CC1 ZINC000718788286 712782956 /nfs/dbraw/zinc/78/29/56/712782956.db2.gz KGEGCABHDFWOMK-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@H](OC)CC2)CC1 ZINC000718788289 712783008 /nfs/dbraw/zinc/78/30/08/712783008.db2.gz KGEGCABHDFWOMK-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCC[C@@H](OC)CC2)CC1 ZINC000718788291 712782880 /nfs/dbraw/zinc/78/28/80/712782880.db2.gz KGEGCABHDFWOMK-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCC[C@@H](OC)CC2)CC1 ZINC000718788294 712782868 /nfs/dbraw/zinc/78/28/68/712782868.db2.gz KGEGCABHDFWOMK-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)CC1 ZINC000718789640 712781021 /nfs/dbraw/zinc/78/10/21/712781021.db2.gz MUEBYITZCFUESN-CABCVRRESA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)CC1 ZINC000718789642 712780905 /nfs/dbraw/zinc/78/09/05/712780905.db2.gz MUEBYITZCFUESN-GJZGRUSLSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)CC1 ZINC000718789645 712780672 /nfs/dbraw/zinc/78/06/72/712780672.db2.gz MUEBYITZCFUESN-HUUCEWRRSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)CC1 ZINC000718789646 712780827 /nfs/dbraw/zinc/78/08/27/712780827.db2.gz MUEBYITZCFUESN-LSDHHAIUSA-N 1 0 239.403 3.647 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000718791004 712784162 /nfs/dbraw/zinc/78/41/62/712784162.db2.gz OZNDODONUDESCC-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000718791005 712784270 /nfs/dbraw/zinc/78/42/70/712784270.db2.gz OZNDODONUDESCC-MCIONIFRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000718791006 712784036 /nfs/dbraw/zinc/78/40/36/712784036.db2.gz OZNDODONUDESCC-MGPQQGTHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000718791007 712784110 /nfs/dbraw/zinc/78/41/10/712784110.db2.gz OZNDODONUDESCC-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@H](OC)CC2)CCC1 ZINC000718792108 712783840 /nfs/dbraw/zinc/78/38/40/712783840.db2.gz RSOQFJUPUNUQLC-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@H](OC)CC2)CCC1 ZINC000718792111 712783958 /nfs/dbraw/zinc/78/39/58/712783958.db2.gz RSOQFJUPUNUQLC-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@H]2CCC[C@@H](OC)CC2)CCC1 ZINC000718792117 712784091 /nfs/dbraw/zinc/78/40/91/712784091.db2.gz RSOQFJUPUNUQLC-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCC[C@@H](OC)CC2)CCC1 ZINC000718792121 712784224 /nfs/dbraw/zinc/78/42/24/712784224.db2.gz RSOQFJUPUNUQLC-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718792568 712783950 /nfs/dbraw/zinc/78/39/50/712783950.db2.gz TUHVVYRWOUWJEI-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718792571 712784020 /nfs/dbraw/zinc/78/40/20/712784020.db2.gz TUHVVYRWOUWJEI-IHRRRGAJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718792574 712784188 /nfs/dbraw/zinc/78/41/88/712784188.db2.gz TUHVVYRWOUWJEI-MELADBBJSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718792576 712783906 /nfs/dbraw/zinc/78/39/06/712783906.db2.gz TUHVVYRWOUWJEI-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000718792649 712784108 /nfs/dbraw/zinc/78/41/08/712784108.db2.gz TZYHGFIWFLLELN-BYNSBNAKSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000718792652 712783853 /nfs/dbraw/zinc/78/38/53/712783853.db2.gz TZYHGFIWFLLELN-CBBWQLFWSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000718792656 712783973 /nfs/dbraw/zinc/78/39/73/712783973.db2.gz TZYHGFIWFLLELN-LXTVHRRPSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000718792659 712784196 /nfs/dbraw/zinc/78/41/96/712784196.db2.gz TZYHGFIWFLLELN-ZQDZILKHSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)CC1 ZINC000718792682 712784018 /nfs/dbraw/zinc/78/40/18/712784018.db2.gz UIONINMRDJLRIM-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC000718792684 712783857 /nfs/dbraw/zinc/78/38/57/712783857.db2.gz UIONINMRDJLRIM-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)CC1 ZINC000718792687 712783980 /nfs/dbraw/zinc/78/39/80/712783980.db2.gz UIONINMRDJLRIM-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC000718792689 712783946 /nfs/dbraw/zinc/78/39/46/712783946.db2.gz UIONINMRDJLRIM-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)CC1 ZINC000718805293 712783671 /nfs/dbraw/zinc/78/36/71/712783671.db2.gz ZLUWJIDNIWFYQS-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC000718805297 712783363 /nfs/dbraw/zinc/78/33/63/712783363.db2.gz ZLUWJIDNIWFYQS-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)CC1 ZINC000718805300 712783404 /nfs/dbraw/zinc/78/34/04/712783404.db2.gz ZLUWJIDNIWFYQS-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC000718805302 712783444 /nfs/dbraw/zinc/78/34/44/712783444.db2.gz ZLUWJIDNIWFYQS-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CCCCC2CC2)CC1 ZINC000718838353 712784969 /nfs/dbraw/zinc/78/49/69/712784969.db2.gz FAFKSARHXGVSTF-CABCVRRESA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CCCCC2CC2)CC1 ZINC000718838357 712785222 /nfs/dbraw/zinc/78/52/22/712785222.db2.gz FAFKSARHXGVSTF-GJZGRUSLSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CCCCC2CC2)CC1 ZINC000718838361 712785019 /nfs/dbraw/zinc/78/50/19/712785019.db2.gz FAFKSARHXGVSTF-HUUCEWRRSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CCCCC2CC2)CC1 ZINC000718838365 712785095 /nfs/dbraw/zinc/78/50/95/712785095.db2.gz FAFKSARHXGVSTF-LSDHHAIUSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC2CCC2)CC1 ZINC000718840347 712785135 /nfs/dbraw/zinc/78/51/35/712785135.db2.gz IFKSOLDXLCULIN-AEGPPILISA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC2CCC2)CC1 ZINC000718840348 712784982 /nfs/dbraw/zinc/78/49/82/712784982.db2.gz IFKSOLDXLCULIN-BPLDGKMQSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC2CCC2)CC1 ZINC000718840349 712785159 /nfs/dbraw/zinc/78/51/59/712785159.db2.gz IFKSOLDXLCULIN-NWANDNLSSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CC2CCC2)CC1 ZINC000718840350 712785197 /nfs/dbraw/zinc/78/51/97/712785197.db2.gz IFKSOLDXLCULIN-VHDGCEQUSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000718840351 712785143 /nfs/dbraw/zinc/78/51/43/712785143.db2.gz IFXSUSFUYFVLLQ-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000718840352 712785157 /nfs/dbraw/zinc/78/51/57/712785157.db2.gz IFXSUSFUYFVLLQ-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000718840353 712784937 /nfs/dbraw/zinc/78/49/37/712784937.db2.gz IFXSUSFUYFVLLQ-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000718840354 712785131 /nfs/dbraw/zinc/78/51/31/712785131.db2.gz IFXSUSFUYFVLLQ-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718845071 712786023 /nfs/dbraw/zinc/78/60/23/712786023.db2.gz CFWGXRUQDBJNQA-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718845075 712786005 /nfs/dbraw/zinc/78/60/05/712786005.db2.gz CFWGXRUQDBJNQA-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000718846480 712786148 /nfs/dbraw/zinc/78/61/48/712786148.db2.gz YIIMSYMPPWYGGA-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000718846483 712786150 /nfs/dbraw/zinc/78/61/50/712786150.db2.gz YIIMSYMPPWYGGA-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000718846485 712786061 /nfs/dbraw/zinc/78/60/61/712786061.db2.gz YIIMSYMPPWYGGA-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C(C)C)CC1 ZINC000718846486 712786095 /nfs/dbraw/zinc/78/60/95/712786095.db2.gz YIIMSYMPPWYGGA-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO CCC1([NH2+]Cc2cnc(Cl)s2)CCCC1 ZINC000718850160 712786037 /nfs/dbraw/zinc/78/60/37/712786037.db2.gz PCADENVONZRWHA-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718860082 712786390 /nfs/dbraw/zinc/78/63/90/712786390.db2.gz NUOBRZRNJNHOCI-BFHYXJOUSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718860085 712786444 /nfs/dbraw/zinc/78/64/44/712786444.db2.gz NUOBRZRNJNHOCI-IHRRRGAJSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718860089 712786495 /nfs/dbraw/zinc/78/64/95/712786495.db2.gz NUOBRZRNJNHOCI-MELADBBJSA-N 1 0 227.392 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718860090 712786319 /nfs/dbraw/zinc/78/63/19/712786319.db2.gz NUOBRZRNJNHOCI-MJBXVCDLSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718862953 712786541 /nfs/dbraw/zinc/78/65/41/712786541.db2.gz XNQUUOPFOUCWJB-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718862954 712786434 /nfs/dbraw/zinc/78/64/34/712786434.db2.gz XNQUUOPFOUCWJB-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718862955 712786499 /nfs/dbraw/zinc/78/64/99/712786499.db2.gz XNQUUOPFOUCWJB-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718862956 712786558 /nfs/dbraw/zinc/78/65/58/712786558.db2.gz XNQUUOPFOUCWJB-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCCCC1CC1 ZINC000720161245 712828759 /nfs/dbraw/zinc/82/87/59/712828759.db2.gz XPZXIKDTTBAVRZ-JTQLQIEISA-N 1 0 236.359 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCCC1CC1 ZINC000720161255 712828806 /nfs/dbraw/zinc/82/88/06/712828806.db2.gz XPZXIKDTTBAVRZ-SNVBAGLBSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccsc1 ZINC000720282318 712830470 /nfs/dbraw/zinc/83/04/70/712830470.db2.gz PRKGYRUKSANWJO-CMPLNLGQSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccsc1 ZINC000720282319 712830528 /nfs/dbraw/zinc/83/05/28/712830528.db2.gz PRKGYRUKSANWJO-JQWIXIFHSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)OC)c1ccsc1 ZINC000720282320 712830504 /nfs/dbraw/zinc/83/05/04/712830504.db2.gz PRKGYRUKSANWJO-PWSUYJOCSA-N 1 0 241.400 3.602 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1ccsc1 ZINC000720282321 712830240 /nfs/dbraw/zinc/83/02/40/712830240.db2.gz PRKGYRUKSANWJO-ZYHUDNBSSA-N 1 0 241.400 3.602 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000720284685 712830464 /nfs/dbraw/zinc/83/04/64/712830464.db2.gz XASVTGIDJWDDIL-GHMZBOCLSA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000720284688 712830438 /nfs/dbraw/zinc/83/04/38/712830438.db2.gz XASVTGIDJWDDIL-MNOVXSKESA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000720284691 712830295 /nfs/dbraw/zinc/83/02/95/712830295.db2.gz XASVTGIDJWDDIL-QWRGUYRKSA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000720284693 712830308 /nfs/dbraw/zinc/83/03/08/712830308.db2.gz XASVTGIDJWDDIL-WDEREUQCSA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000720291861 712830488 /nfs/dbraw/zinc/83/04/88/712830488.db2.gz XTACQEISXNDKKS-GHMZBOCLSA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000720291864 712830320 /nfs/dbraw/zinc/83/03/20/712830320.db2.gz XTACQEISXNDKKS-MNOVXSKESA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000720291867 712830351 /nfs/dbraw/zinc/83/03/51/712830351.db2.gz XTACQEISXNDKKS-QWRGUYRKSA-N 1 0 241.400 3.521 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000720291870 712830365 /nfs/dbraw/zinc/83/03/65/712830365.db2.gz XTACQEISXNDKKS-WDEREUQCSA-N 1 0 241.400 3.521 20 0 BHADRO Cc1conc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000720345584 712832080 /nfs/dbraw/zinc/83/20/80/712832080.db2.gz QWWICAPZIKUFKS-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1conc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000720345585 712832067 /nfs/dbraw/zinc/83/20/67/712832067.db2.gz QWWICAPZIKUFKS-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1cc(C)on1 ZINC000720354541 712833440 /nfs/dbraw/zinc/83/34/40/712833440.db2.gz FYVPCENIKZCSFY-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO Cc1cc(C[NH2+]CCCCCCC(C)C)no1 ZINC000720359633 712833839 /nfs/dbraw/zinc/83/38/39/712833839.db2.gz YIKQSLCBSBXUPA-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO Cc1conc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000720369820 712836227 /nfs/dbraw/zinc/83/62/27/712836227.db2.gz OGOBKXFLJCZYHN-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1conc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000720369822 712836284 /nfs/dbraw/zinc/83/62/84/712836284.db2.gz OGOBKXFLJCZYHN-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO C[N@H+](Cc1cnc(Cl)s1)C1(C)CCCC1 ZINC000720378252 712837384 /nfs/dbraw/zinc/83/73/84/712837384.db2.gz FMOVFHRKOGRXCG-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO C[N@H+](Cc1csc(Cl)n1)C1(C)CCCC1 ZINC000720380535 712837115 /nfs/dbraw/zinc/83/71/15/712837115.db2.gz VZSCCAZHJIHKGZ-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cccc2ncccc12 ZINC000720465909 712845209 /nfs/dbraw/zinc/84/52/09/712845209.db2.gz FKJJKHXAQFIDBA-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cccc2ncccc12 ZINC000720465911 712844929 /nfs/dbraw/zinc/84/49/29/712844929.db2.gz FKJJKHXAQFIDBA-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO CCC(CC)[NH2+]Cc1cccc2ncccc12 ZINC000720467880 712845052 /nfs/dbraw/zinc/84/50/52/712845052.db2.gz QUETZMIAJDZFCA-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO c1cnc2cccc(C[NH2+]CC3CCCC3)c2c1 ZINC000720470222 712845531 /nfs/dbraw/zinc/84/55/31/712845531.db2.gz BGNUCMFTWDPMHG-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000720472109 712845481 /nfs/dbraw/zinc/84/54/81/712845481.db2.gz OMZBEUFJVNKYMT-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000720472110 712845337 /nfs/dbraw/zinc/84/53/37/712845337.db2.gz OMZBEUFJVNKYMT-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H](CC1CC1)[NH2+]Cc1cccc2ncccc12 ZINC000720472157 712845399 /nfs/dbraw/zinc/84/53/99/712845399.db2.gz PGRPLOUEDVOYNM-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]Cc1cccc2ncccc12 ZINC000720472159 712845568 /nfs/dbraw/zinc/84/55/68/712845568.db2.gz PGRPLOUEDVOYNM-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000720473427 712845361 /nfs/dbraw/zinc/84/53/61/712845361.db2.gz UHHRAALMELBVNN-GXTWGEPZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000720473429 712845346 /nfs/dbraw/zinc/84/53/46/712845346.db2.gz UHHRAALMELBVNN-JSGCOSHPSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000720473430 712845365 /nfs/dbraw/zinc/84/53/65/712845365.db2.gz UHHRAALMELBVNN-OCCSQVGLSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000720473431 712845461 /nfs/dbraw/zinc/84/54/61/712845461.db2.gz UHHRAALMELBVNN-TZMCWYRMSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc2ncccc12)C1CCC1 ZINC000720496470 712847442 /nfs/dbraw/zinc/84/74/42/712847442.db2.gz CFFLGTIPKBWKBC-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1cccc2ncccc12)C1CCC1 ZINC000720496472 712847212 /nfs/dbraw/zinc/84/72/12/712847212.db2.gz CFFLGTIPKBWKBC-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO c1cnc2cccc(C[NH2+]CCCC3CC3)c2c1 ZINC000720506819 712847649 /nfs/dbraw/zinc/84/76/49/712847649.db2.gz ACOOBBLVAWRVIB-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C)CC([NH2+]Cc2cccc3ncccc23)C1 ZINC000720511006 712847964 /nfs/dbraw/zinc/84/79/64/712847964.db2.gz DLDNUANWROKMES-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C[NH2+]Cc2cccc3ncccc23)CCC1 ZINC000720512335 712848340 /nfs/dbraw/zinc/84/83/40/712848340.db2.gz FYOQBRAVPJBSAS-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CCC1(C[NH2+]Cc2cccc3ncccc23)CC1 ZINC000720512466 712848358 /nfs/dbraw/zinc/84/83/58/712848358.db2.gz IFNFPWJGSWZGPE-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO c1cnc2cccc(C[NH2+]CCC3CCC3)c2c1 ZINC000720524050 712849387 /nfs/dbraw/zinc/84/93/87/712849387.db2.gz FYWIJDNTPKCLQE-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CSC1CCC(C[NH2+][C@@H](C)C(C)C)CC1 ZINC000720551514 712850002 /nfs/dbraw/zinc/85/00/02/712850002.db2.gz DQTPTNAXAYSRMF-HIFPTAJRSA-N 1 0 229.433 3.542 20 0 BHADRO CSC1CCC(C[NH2+][C@H](C)C(C)C)CC1 ZINC000720551516 712850155 /nfs/dbraw/zinc/85/01/55/712850155.db2.gz DQTPTNAXAYSRMF-PNESKVBLSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@H]([NH2+]CC1CCC(SC)CC1)C1CC1 ZINC000720556642 712850873 /nfs/dbraw/zinc/85/08/73/712850873.db2.gz IUMUEBGLJLNUPE-UBHUBRDASA-N 1 0 241.444 3.686 20 0 BHADRO CC[C@@H]([NH2+]CC1CCC(SC)CC1)C1CC1 ZINC000720556643 712850878 /nfs/dbraw/zinc/85/08/78/712850878.db2.gz IUMUEBGLJLNUPE-UXUKBGGZSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1CCC(C[NH2+][C@H](C)CC2CC2)CC1 ZINC000720560153 712850862 /nfs/dbraw/zinc/85/08/62/712850862.db2.gz ZARYOSOUKBAYII-LMWSTFAQSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1CCC(C[NH2+][C@@H](C)CC2CC2)CC1 ZINC000720560154 712850840 /nfs/dbraw/zinc/85/08/40/712850840.db2.gz ZARYOSOUKBAYII-XGNXJENSSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1CCC(C[NH2+][C@@H](C)C2CCC2)CC1 ZINC000720610551 712858328 /nfs/dbraw/zinc/85/83/28/712858328.db2.gz GMSVLQFAOJSBQT-DCBWTQNWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC1CCC(C[NH2+][C@H](C)C2CCC2)CC1 ZINC000720610554 712858426 /nfs/dbraw/zinc/85/84/26/712858426.db2.gz GMSVLQFAOJSBQT-LKSINWNRSA-N 1 0 241.444 3.686 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCC23CCC3)CC(F)(F)C1 ZINC000720911146 712879980 /nfs/dbraw/zinc/87/99/80/712879980.db2.gz GGWHOSSZCGWTSH-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO CC1(C[NH2+][C@H]2CCCC23CCC3)CC(F)(F)C1 ZINC000720911147 712880201 /nfs/dbraw/zinc/88/02/01/712880201.db2.gz GGWHOSSZCGWTSH-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912304 712877983 /nfs/dbraw/zinc/87/79/83/712877983.db2.gz OPKHIZAENUOMMB-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912305 712877813 /nfs/dbraw/zinc/87/78/13/712877813.db2.gz OPKHIZAENUOMMB-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912306 712877992 /nfs/dbraw/zinc/87/79/92/712877992.db2.gz OPKHIZAENUOMMB-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]1CCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912307 711686973 /nfs/dbraw/zinc/68/69/73/711686973.db2.gz OPKHIZAENUOMMB-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+][C@H]2CCC(C)(C)C2)CC(F)(F)C1 ZINC000720912816 712877922 /nfs/dbraw/zinc/87/79/22/712877922.db2.gz PYNYWPMDWLVCJF-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC(C)(C)C2)CC(F)(F)C1 ZINC000720912819 712877869 /nfs/dbraw/zinc/87/78/69/712877869.db2.gz PYNYWPMDWLVCJF-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912857 712877821 /nfs/dbraw/zinc/87/78/21/712877821.db2.gz QLVFSKUDCYGYHC-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912860 712877862 /nfs/dbraw/zinc/87/78/62/712877862.db2.gz QLVFSKUDCYGYHC-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912863 712877790 /nfs/dbraw/zinc/87/77/90/712877790.db2.gz QLVFSKUDCYGYHC-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000720912866 712877695 /nfs/dbraw/zinc/87/76/95/712877695.db2.gz QLVFSKUDCYGYHC-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720912963 712877898 /nfs/dbraw/zinc/87/78/98/712877898.db2.gz SMNSOYWRYQIMFI-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720912965 712878055 /nfs/dbraw/zinc/87/80/55/712878055.db2.gz SMNSOYWRYQIMFI-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720912966 712878041 /nfs/dbraw/zinc/87/80/41/712878041.db2.gz SMNSOYWRYQIMFI-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720913320 712877708 /nfs/dbraw/zinc/87/77/08/712877708.db2.gz SMNSOYWRYQIMFI-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1CCC([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720913343 712877770 /nfs/dbraw/zinc/87/77/70/712877770.db2.gz SZBBVEMEZZHDBB-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1CCCC1 ZINC000720913350 712877835 /nfs/dbraw/zinc/87/78/35/712877835.db2.gz TUBAOQPUIXCOAN-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1CCCC1 ZINC000720913352 712877960 /nfs/dbraw/zinc/87/79/60/712877960.db2.gz TUBAOQPUIXCOAN-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+][C@H]2CCCC2(C)C)CC(F)(F)C1 ZINC000720914111 712877767 /nfs/dbraw/zinc/87/77/67/712877767.db2.gz YLPDTMHEFFGCLV-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCC2(C)C)CC(F)(F)C1 ZINC000720914113 712878093 /nfs/dbraw/zinc/87/80/93/712878093.db2.gz YLPDTMHEFFGCLV-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720914126 712877817 /nfs/dbraw/zinc/87/78/17/712877817.db2.gz YSUOXRMYQKUATH-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720914128 712877705 /nfs/dbraw/zinc/87/77/05/712877705.db2.gz YSUOXRMYQKUATH-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+]C2CCC3(CC3)CC2)CC(F)(F)C1 ZINC000720915536 712878457 /nfs/dbraw/zinc/87/84/57/712878457.db2.gz UETDKRVWUGBZNC-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1CCC1 ZINC000720916004 712878246 /nfs/dbraw/zinc/87/82/46/712878246.db2.gz WOAXPUQQTZRDHU-LLVKDONJSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1CCC1 ZINC000720916006 712878508 /nfs/dbraw/zinc/87/85/08/712878508.db2.gz WOAXPUQQTZRDHU-NSHDSACASA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccsc1 ZINC000720921376 712879100 /nfs/dbraw/zinc/87/91/00/712879100.db2.gz BEIFZZNETXLZHV-SECBINFHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccsc1 ZINC000720921378 712879189 /nfs/dbraw/zinc/87/91/89/712879189.db2.gz BEIFZZNETXLZHV-VIFPVBQESA-N 1 0 245.338 3.834 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccs1 ZINC000720921464 712878715 /nfs/dbraw/zinc/87/87/15/712878715.db2.gz BXHLDUQQKRTYFM-SECBINFHSA-N 1 0 245.338 3.834 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccs1 ZINC000720921466 712878741 /nfs/dbraw/zinc/87/87/41/712878741.db2.gz BXHLDUQQKRTYFM-VIFPVBQESA-N 1 0 245.338 3.834 20 0 BHADRO Cc1cc(C[NH2+]CC2(C)CC(F)(F)C2)cs1 ZINC000720921553 712879062 /nfs/dbraw/zinc/87/90/62/712879062.db2.gz DHWLADAISJQBGY-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1sccc1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720921766 712879025 /nfs/dbraw/zinc/87/90/25/712879025.db2.gz DPDHXWIAFGOLLS-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1 ZINC000720922078 712878841 /nfs/dbraw/zinc/87/88/41/712878841.db2.gz DMZOKEVGKFRCEJ-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1(C)CC(F)(F)C1 ZINC000720922428 712878987 /nfs/dbraw/zinc/87/89/87/712878987.db2.gz HJYFUALYUKKRGC-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH2+]C1(C)CC(F)(F)C1 ZINC000720922429 712878763 /nfs/dbraw/zinc/87/87/63/712878763.db2.gz HJYFUALYUKKRGC-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH2+]C1(C)CC(F)(F)C1 ZINC000720922430 712878808 /nfs/dbraw/zinc/87/88/08/712878808.db2.gz HJYFUALYUKKRGC-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH2+]C1(C)CC(F)(F)C1 ZINC000720922431 711686984 /nfs/dbraw/zinc/68/69/84/711686984.db2.gz HJYFUALYUKKRGC-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2CCC23CCCC3)CC(F)(F)C1 ZINC000720922903 712878955 /nfs/dbraw/zinc/87/89/55/712878955.db2.gz KJRHRAZOLKRUAT-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO CC1(C[NH2+][C@H]2CCC23CCCC3)CC(F)(F)C1 ZINC000720922907 712879209 /nfs/dbraw/zinc/87/92/09/712879209.db2.gz KJRHRAZOLKRUAT-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO Cc1ccsc1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720923827 712879159 /nfs/dbraw/zinc/87/91/59/712879159.db2.gz UABLWEIDOGWVMG-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)s1 ZINC000720923861 712879034 /nfs/dbraw/zinc/87/90/34/712879034.db2.gz UNDFONORFVJOHS-UHFFFAOYSA-N 1 0 245.338 3.582 20 0 BHADRO Cc1cccc(C[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720923933 712879200 /nfs/dbraw/zinc/87/92/00/712879200.db2.gz UCCPWEMYRFLIFD-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO Cc1ccccc1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720923938 712878805 /nfs/dbraw/zinc/87/88/05/712878805.db2.gz UFHXSIGWBUUCLX-UHFFFAOYSA-N 1 0 239.309 3.520 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000720924642 712879141 /nfs/dbraw/zinc/87/91/41/712879141.db2.gz YLSYRTZNFUWJFB-LLVKDONJSA-N 1 0 239.309 3.773 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000720924645 712879217 /nfs/dbraw/zinc/87/92/17/712879217.db2.gz YLSYRTZNFUWJFB-NSHDSACASA-N 1 0 239.309 3.773 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)o1 ZINC000720926539 712879618 /nfs/dbraw/zinc/87/96/18/712879618.db2.gz DHGSHHVFBGLCBP-JTQLQIEISA-N 1 0 243.297 3.674 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)o1 ZINC000720926543 712879645 /nfs/dbraw/zinc/87/96/45/712879645.db2.gz DHGSHHVFBGLCBP-SNVBAGLBSA-N 1 0 243.297 3.674 20 0 BHADRO CC1(C[NH2+][C@@H](C2CC2)C2CCC2)CC(F)(F)C1 ZINC000720927102 712879475 /nfs/dbraw/zinc/87/94/75/712879475.db2.gz FZOQNTKCAZGGGX-GFCCVEGCSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@H](C2CC2)C2CCC2)CC(F)(F)C1 ZINC000720927103 712879661 /nfs/dbraw/zinc/87/96/61/712879661.db2.gz FZOQNTKCAZGGGX-LBPRGKRZSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H](CC1CCCCC1)[NH2+]C1CCOCC1 ZINC000720940011 712880897 /nfs/dbraw/zinc/88/08/97/712880897.db2.gz KFTWUFABDJRUFJ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H](CC1CCCCC1)[NH2+]C1CCOCC1 ZINC000720940014 712880986 /nfs/dbraw/zinc/88/09/86/712880986.db2.gz KFTWUFABDJRUFJ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C[C@H]1C ZINC000720948269 712881530 /nfs/dbraw/zinc/88/15/30/712881530.db2.gz AGSYDQBBQWOKNC-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(C)CC(F)(F)C2)C[C@H]1C ZINC000720948271 712881515 /nfs/dbraw/zinc/88/15/15/712881515.db2.gz AGSYDQBBQWOKNC-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C[C@@H]1C ZINC000720948273 712881366 /nfs/dbraw/zinc/88/13/66/712881366.db2.gz AGSYDQBBQWOKNC-OUAUKWLOSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C2(C)CC(F)(F)C2)C[C@@H]1C ZINC000720948275 712881608 /nfs/dbraw/zinc/88/16/08/712881608.db2.gz AGSYDQBBQWOKNC-VWYCJHECSA-N 1 0 231.330 3.589 20 0 BHADRO CCC1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000720948284 712881441 /nfs/dbraw/zinc/88/14/41/712881441.db2.gz AICHKTGVTCEETE-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720948419 712881519 /nfs/dbraw/zinc/88/15/19/712881519.db2.gz DBMQWCCQUFQSKC-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720948420 712881648 /nfs/dbraw/zinc/88/16/48/712881648.db2.gz DBMQWCCQUFQSKC-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720948422 712881432 /nfs/dbraw/zinc/88/14/32/712881432.db2.gz DBMQWCCQUFQSKC-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO CC[C@H]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720948424 712881525 /nfs/dbraw/zinc/88/15/25/712881525.db2.gz DBMQWCCQUFQSKC-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CC([NH2+]C2(C)CC(F)(F)C2)C[C@H](C)C1 ZINC000720949951 712881707 /nfs/dbraw/zinc/88/17/07/712881707.db2.gz PHMITBKRERGJNY-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2(C)CC(F)(F)C2)C[C@@H](C)C1 ZINC000720949952 712881880 /nfs/dbraw/zinc/88/18/80/712881880.db2.gz PHMITBKRERGJNY-URLYPYJESA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC([NH2+]C2(C)CC(F)(F)C2)C[C@@H](C)C1 ZINC000720949953 712881941 /nfs/dbraw/zinc/88/19/41/712881941.db2.gz PHMITBKRERGJNY-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720950793 712881845 /nfs/dbraw/zinc/88/18/45/712881845.db2.gz XIINHKLQZIREDC-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720950795 712881843 /nfs/dbraw/zinc/88/18/43/712881843.db2.gz XIINHKLQZIREDC-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720950797 712881944 /nfs/dbraw/zinc/88/19/44/712881944.db2.gz XIINHKLQZIREDC-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720950799 712881821 /nfs/dbraw/zinc/88/18/21/712881821.db2.gz XIINHKLQZIREDC-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO CC1([NH2+]CCC2CCCCC2)CC(F)(F)C1 ZINC000720950918 712881827 /nfs/dbraw/zinc/88/18/27/712881827.db2.gz ZMZUWOVOGIUGNO-UHFFFAOYSA-N 1 0 231.330 3.734 20 0 BHADRO CC[C@H](CC1CCCCC1)[NH2+]Cc1cocn1 ZINC000720951693 712882402 /nfs/dbraw/zinc/88/24/02/712882402.db2.gz ACWINPWZDVJMNX-CYBMUJFWSA-N 1 0 236.359 3.513 20 0 BHADRO CC[C@@H](CC1CCCCC1)[NH2+]Cc1cocn1 ZINC000720951696 712882473 /nfs/dbraw/zinc/88/24/73/712882473.db2.gz ACWINPWZDVJMNX-ZDUSSCGKSA-N 1 0 236.359 3.513 20 0 BHADRO CC1([NH2+]Cc2ccccc2Cl)CC(F)(F)C1 ZINC000720959481 712882908 /nfs/dbraw/zinc/88/29/08/712882908.db2.gz BMWYALXFXJZZMX-UHFFFAOYSA-N 1 0 245.700 3.617 20 0 BHADRO CC1([NH2+]Cc2cccc(Cl)c2)CC(F)(F)C1 ZINC000720959494 712882627 /nfs/dbraw/zinc/88/26/27/712882627.db2.gz BVMVNNVCNPPQNJ-UHFFFAOYSA-N 1 0 245.700 3.617 20 0 BHADRO Cc1cc(C[NH2+]C2(C)CC(F)(F)C2)c(C)s1 ZINC000720959529 712882914 /nfs/dbraw/zinc/88/29/14/712882914.db2.gz COTRUIVCQJBXLR-UHFFFAOYSA-N 1 0 245.338 3.642 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CC(F)(F)C2)s1 ZINC000720963890 712883691 /nfs/dbraw/zinc/88/36/91/712883691.db2.gz GKSUVFUKFRJBEJ-UHFFFAOYSA-N 1 0 245.338 3.588 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C2(C)CC(F)(F)C2)c1 ZINC000720964043 712884162 /nfs/dbraw/zinc/88/41/62/712884162.db2.gz BTVMUIXNMJJNMG-UHFFFAOYSA-N 1 0 239.309 3.581 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C2(C)CC(F)(F)C2)c1 ZINC000720964140 712883638 /nfs/dbraw/zinc/88/36/38/712883638.db2.gz DIPZVRXSCDMFMU-UHFFFAOYSA-N 1 0 239.309 3.581 20 0 BHADRO CC1([NH2+]Cc2ccc(Cl)cc2)CC(F)(F)C1 ZINC000720966221 712883895 /nfs/dbraw/zinc/88/38/95/712883895.db2.gz YFPFTELTYZEFKQ-UHFFFAOYSA-N 1 0 245.700 3.617 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CC(F)(F)C2)c(C)c1 ZINC000720966355 712883851 /nfs/dbraw/zinc/88/38/51/712883851.db2.gz HDGUNOIZPNFCQU-UHFFFAOYSA-N 1 0 239.309 3.581 20 0 BHADRO CCc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1 ZINC000720966403 712883910 /nfs/dbraw/zinc/88/39/10/712883910.db2.gz IKGILHVDSCICOE-UHFFFAOYSA-N 1 0 239.309 3.526 20 0 BHADRO Cc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1C ZINC000720967580 712884516 /nfs/dbraw/zinc/88/45/16/712884516.db2.gz QIIUKMAHMPHNGH-UHFFFAOYSA-N 1 0 239.309 3.581 20 0 BHADRO C[C@H](C[NH2+]C1(C)CC(F)(F)C1)c1ccccc1 ZINC000720967662 712884286 /nfs/dbraw/zinc/88/42/86/712884286.db2.gz RHHMMUFCOLWSOR-LLVKDONJSA-N 1 0 239.309 3.568 20 0 BHADRO C[C@@H](C[NH2+]C1(C)CC(F)(F)C1)c1ccccc1 ZINC000720967666 712884239 /nfs/dbraw/zinc/88/42/39/712884239.db2.gz RHHMMUFCOLWSOR-NSHDSACASA-N 1 0 239.309 3.568 20 0 BHADRO Cc1cccc(C[NH2+]C2(C)CC(F)(F)C2)c1C ZINC000720968208 712884424 /nfs/dbraw/zinc/88/44/24/712884424.db2.gz XVNHCKFTURFDFB-UHFFFAOYSA-N 1 0 239.309 3.581 20 0 BHADRO CC(C)CCCC[NH2+]C1(C)CC(F)(F)C1 ZINC000720970601 712884784 /nfs/dbraw/zinc/88/47/84/712884784.db2.gz FQUXXBRNICRSTA-UHFFFAOYSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](CC)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720993888 712886164 /nfs/dbraw/zinc/88/61/64/712886164.db2.gz UFFXTYUZNFTRDM-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720993889 712886170 /nfs/dbraw/zinc/88/61/70/712886170.db2.gz UFFXTYUZNFTRDM-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720994806 712886121 /nfs/dbraw/zinc/88/61/21/712886121.db2.gz ZKODMEGOWWIEIG-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)(CC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721325529 710675229 /nfs/dbraw/zinc/67/52/29/710675229.db2.gz ISLPRMJVANJJLZ-HNNXBMFYSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721327124 710674642 /nfs/dbraw/zinc/67/46/42/710674642.db2.gz WLXFBBXZYXMKHI-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721327125 710675156 /nfs/dbraw/zinc/67/51/56/710675156.db2.gz WLXFBBXZYXMKHI-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721327454 710674670 /nfs/dbraw/zinc/67/46/70/710674670.db2.gz YCYDVLGNUAPWJR-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721327455 710675080 /nfs/dbraw/zinc/67/50/80/710675080.db2.gz YCYDVLGNUAPWJR-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721330784 710675424 /nfs/dbraw/zinc/67/54/24/710675424.db2.gz ZBYGVLRMNFFERE-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721330785 710675451 /nfs/dbraw/zinc/67/54/51/710675451.db2.gz ZBYGVLRMNFFERE-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721338114 710675406 /nfs/dbraw/zinc/67/54/06/710675406.db2.gz WLGGGPMZKWKWRB-HIFRSBDPSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000721338115 710675216 /nfs/dbraw/zinc/67/52/16/710675216.db2.gz WLGGGPMZKWKWRB-ZFWWWQNUSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721555030 711623910 /nfs/dbraw/zinc/62/39/10/711623910.db2.gz KVOLCEAQRKMNNY-KBPBESRZSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721555034 711623766 /nfs/dbraw/zinc/62/37/66/711623766.db2.gz KVOLCEAQRKMNNY-KGLIPLIRSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721555036 711624038 /nfs/dbraw/zinc/62/40/38/711624038.db2.gz KVOLCEAQRKMNNY-UONOGXRCSA-N 1 0 239.403 3.526 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721555041 711623455 /nfs/dbraw/zinc/62/34/55/711623455.db2.gz KVOLCEAQRKMNNY-ZIAGYGMSSA-N 1 0 239.403 3.526 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721587171 711654334 /nfs/dbraw/zinc/65/43/34/711654334.db2.gz KUHCYVVCNXLECJ-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721587172 711654312 /nfs/dbraw/zinc/65/43/12/711654312.db2.gz KUHCYVVCNXLECJ-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721587174 711654160 /nfs/dbraw/zinc/65/41/60/711654160.db2.gz KUHCYVVCNXLECJ-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721587176 711654201 /nfs/dbraw/zinc/65/42/01/711654201.db2.gz KUHCYVVCNXLECJ-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723560622 711517490 /nfs/dbraw/zinc/51/74/90/711517490.db2.gz UPVAFEIOZABRPT-NXEZZACHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723560623 711517851 /nfs/dbraw/zinc/51/78/51/711517851.db2.gz UPVAFEIOZABRPT-UWVGGRQHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723560624 711517502 /nfs/dbraw/zinc/51/75/02/711517502.db2.gz UPVAFEIOZABRPT-VHSXEESVSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723560625 711517597 /nfs/dbraw/zinc/51/75/97/711517597.db2.gz UPVAFEIOZABRPT-ZJUUUORDSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccns1 ZINC000723562480 711517644 /nfs/dbraw/zinc/51/76/44/711517644.db2.gz MINQUANOSATKEI-GHMZBOCLSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccns1 ZINC000723562483 711517632 /nfs/dbraw/zinc/51/76/32/711517632.db2.gz MINQUANOSATKEI-MNOVXSKESA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccns1 ZINC000723562485 711517795 /nfs/dbraw/zinc/51/77/95/711517795.db2.gz MINQUANOSATKEI-QWRGUYRKSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccns1 ZINC000723562487 711517890 /nfs/dbraw/zinc/51/78/90/711517890.db2.gz MINQUANOSATKEI-WDEREUQCSA-N 1 0 236.384 3.517 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723562687 711517624 /nfs/dbraw/zinc/51/76/24/711517624.db2.gz CKHLNPLYSLJYIL-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723562688 711517547 /nfs/dbraw/zinc/51/75/47/711517547.db2.gz CKHLNPLYSLJYIL-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723562689 711517813 /nfs/dbraw/zinc/51/78/13/711517813.db2.gz CKHLNPLYSLJYIL-RWMBFGLXSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723562690 711517887 /nfs/dbraw/zinc/51/78/87/711517887.db2.gz CKHLNPLYSLJYIL-YNEHKIRRSA-N 1 0 239.428 3.583 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCCC3(CC3)C2)nc1C ZINC000723564008 711517768 /nfs/dbraw/zinc/51/77/68/711517768.db2.gz JTFJDXDBUAEHBQ-AWEZNQCLSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)nc1C ZINC000723564012 711517896 /nfs/dbraw/zinc/51/78/96/711517896.db2.gz JTFJDXDBUAEHBQ-CQSZACIVSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@H]2CCCC3(CC3)C2)cn1 ZINC000723572486 711518992 /nfs/dbraw/zinc/51/89/92/711518992.db2.gz BBAYPXSXRBTZLM-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)c(C[NH2+][C@@H]2CCCC3(CC3)C2)cn1 ZINC000723572487 711519080 /nfs/dbraw/zinc/51/90/80/711519080.db2.gz BBAYPXSXRBTZLM-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO CC1(C[NH2+][C@@H]2CCCC3(CC3)C2)CC(F)(F)C1 ZINC000723573747 710729056 /nfs/dbraw/zinc/72/90/56/710729056.db2.gz LPTKKJOIPZSUEZ-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO CC1(C[NH2+][C@H]2CCCC3(CC3)C2)CC(F)(F)C1 ZINC000723573748 710728897 /nfs/dbraw/zinc/72/88/97/710728897.db2.gz LPTKKJOIPZSUEZ-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO FC1(CC[NH2+][C@@H]2CCCC3(CC3)C2)CCC1 ZINC000723574598 711519135 /nfs/dbraw/zinc/51/91/35/711519135.db2.gz ADLGHLYFRDQSQU-GFCCVEGCSA-N 1 0 225.351 3.581 20 0 BHADRO FC1(CC[NH2+][C@H]2CCCC3(CC3)C2)CCC1 ZINC000723574599 711518865 /nfs/dbraw/zinc/51/88/65/711518865.db2.gz ADLGHLYFRDQSQU-LBPRGKRZSA-N 1 0 225.351 3.581 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723576083 710728535 /nfs/dbraw/zinc/72/85/35/710728535.db2.gz VCDGSQLDUHKHQT-NEPJUHHUSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723576084 710729342 /nfs/dbraw/zinc/72/93/42/710729342.db2.gz VCDGSQLDUHKHQT-NWDGAFQWSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723576085 710727651 /nfs/dbraw/zinc/72/76/51/710727651.db2.gz VCDGSQLDUHKHQT-RYUDHWBXSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723576086 710728080 /nfs/dbraw/zinc/72/80/80/710728080.db2.gz VCDGSQLDUHKHQT-VXGBXAGGSA-N 1 0 243.341 3.877 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723599349 711522984 /nfs/dbraw/zinc/52/29/84/711522984.db2.gz KCUNHHBHWYPDFI-GWCFXTLKSA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723599350 711522957 /nfs/dbraw/zinc/52/29/57/711522957.db2.gz KCUNHHBHWYPDFI-GXFFZTMASA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723599351 711522805 /nfs/dbraw/zinc/52/28/05/711522805.db2.gz KCUNHHBHWYPDFI-MFKMUULPSA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723599352 711522712 /nfs/dbraw/zinc/52/27/12/711522712.db2.gz KCUNHHBHWYPDFI-ZWNOBZJWSA-N 1 0 248.370 3.665 20 0 BHADRO CC(C)OCCCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723600375 711730023 /nfs/dbraw/zinc/73/00/23/711730023.db2.gz SSJFBBWRGUVNAN-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723600384 711522828 /nfs/dbraw/zinc/52/28/28/711522828.db2.gz SSJFBBWRGUVNAN-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1cc(C)nc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000723629672 711527163 /nfs/dbraw/zinc/52/71/63/711527163.db2.gz XCCGOVHPOQKJJC-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C)nc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000723659633 710730020 /nfs/dbraw/zinc/73/00/20/710730020.db2.gz MHOFRRCKSFYTMJ-AWEZNQCLSA-N 1 0 240.350 3.549 20 0 BHADRO Cc1cc(C)nc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000723659637 710729884 /nfs/dbraw/zinc/72/98/84/710729884.db2.gz MHOFRRCKSFYTMJ-CQSZACIVSA-N 1 0 240.350 3.549 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@H]1CCCOC1 ZINC000723955031 711546506 /nfs/dbraw/zinc/54/65/06/711546506.db2.gz KEMBIFGHTPAPPK-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H]1CCCOC1 ZINC000723955032 711546579 /nfs/dbraw/zinc/54/65/79/711546579.db2.gz KEMBIFGHTPAPPK-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@@H]1CCCOC1 ZINC000723955159 711546508 /nfs/dbraw/zinc/54/65/08/711546508.db2.gz KEMBIFGHTPAPPK-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@H]1CCCOC1 ZINC000723955160 711546502 /nfs/dbraw/zinc/54/65/02/711546502.db2.gz KEMBIFGHTPAPPK-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCC1)[C@H]1CCCOC1 ZINC000723987393 711550972 /nfs/dbraw/zinc/55/09/72/711550972.db2.gz MYMHHYKUQRPUDI-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCC1)[C@@H]1CCCOC1 ZINC000723987394 711551459 /nfs/dbraw/zinc/55/14/59/711551459.db2.gz MYMHHYKUQRPUDI-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCC1)[C@@H]1CCCOC1 ZINC000723987395 711551768 /nfs/dbraw/zinc/55/17/68/711551768.db2.gz MYMHHYKUQRPUDI-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCC1)[C@H]1CCCOC1 ZINC000723987396 711551683 /nfs/dbraw/zinc/55/16/83/711551683.db2.gz MYMHHYKUQRPUDI-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCOC1 ZINC000723992520 711551952 /nfs/dbraw/zinc/55/19/52/711551952.db2.gz JAAFJPGXYPXRDB-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCOC1 ZINC000723992521 711552172 /nfs/dbraw/zinc/55/21/72/711552172.db2.gz JAAFJPGXYPXRDB-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCOC1 ZINC000723992525 711552293 /nfs/dbraw/zinc/55/22/93/711552293.db2.gz JAAFJPGXYPXRDB-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)CC)[C@H]1CCCOC1 ZINC000724002874 711554234 /nfs/dbraw/zinc/55/42/34/711554234.db2.gz XDSYWJZABVEYFB-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(C)CC)[C@@H]1CCCOC1 ZINC000724002875 711553785 /nfs/dbraw/zinc/55/37/85/711553785.db2.gz XDSYWJZABVEYFB-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)CC)[C@H]1CCCOC1 ZINC000724002876 711554219 /nfs/dbraw/zinc/55/42/19/711554219.db2.gz XDSYWJZABVEYFB-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(C)CC)[C@@H]1CCCOC1 ZINC000724002877 711554198 /nfs/dbraw/zinc/55/41/98/711554198.db2.gz XDSYWJZABVEYFB-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)[C@H]1CCCOC1 ZINC000724012966 711555950 /nfs/dbraw/zinc/55/59/50/711555950.db2.gz VJFWKMGLTVEGTO-ILXRZTDVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)[C@@H]1CCCOC1 ZINC000724012967 711555729 /nfs/dbraw/zinc/55/57/29/711555729.db2.gz VJFWKMGLTVEGTO-KFWWJZLASA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)[C@H]1CCCOC1 ZINC000724012969 711555778 /nfs/dbraw/zinc/55/57/78/711555778.db2.gz VJFWKMGLTVEGTO-KKUMJFAQSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)[C@@H]1CCCOC1 ZINC000724012971 711556049 /nfs/dbraw/zinc/55/60/49/711556049.db2.gz VJFWKMGLTVEGTO-ZNMIVQPWSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000724015787 711556251 /nfs/dbraw/zinc/55/62/51/711556251.db2.gz XBSKVQFUAQXQBE-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000724015788 711556317 /nfs/dbraw/zinc/55/63/17/711556317.db2.gz XBSKVQFUAQXQBE-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000724015789 711556238 /nfs/dbraw/zinc/55/62/38/711556238.db2.gz XBSKVQFUAQXQBE-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000724015791 711556226 /nfs/dbraw/zinc/55/62/26/711556226.db2.gz XBSKVQFUAQXQBE-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO FC1(F)CCC([NH2+]CCC2CC=CC2)CC1 ZINC000724184146 711567020 /nfs/dbraw/zinc/56/70/20/711567020.db2.gz IDVQVTCXPQCQCN-UHFFFAOYSA-N 1 0 229.314 3.510 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724250280 711572173 /nfs/dbraw/zinc/57/21/73/711572173.db2.gz ASHQKCMKWWONRB-IGQOVBAYSA-N 1 0 227.392 3.501 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724250281 711735348 /nfs/dbraw/zinc/73/53/48/711735348.db2.gz ASHQKCMKWWONRB-MQYQWHSLSA-N 1 0 227.392 3.501 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)C[C@H](C)O1 ZINC000724286435 711573868 /nfs/dbraw/zinc/57/38/68/711573868.db2.gz RBRMAYQOEKFYJY-NHAGDIPZSA-N 1 0 239.403 3.645 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724299999 710738373 /nfs/dbraw/zinc/73/83/73/710738373.db2.gz QSFHSANDXXUDBB-BYNSBNAKSA-N 1 0 241.419 3.891 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724300000 710738360 /nfs/dbraw/zinc/73/83/60/710738360.db2.gz QSFHSANDXXUDBB-KBXIAJHMSA-N 1 0 241.419 3.891 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000724300758 711573919 /nfs/dbraw/zinc/57/39/19/711573919.db2.gz LVMIOUOMUBBEPZ-BARDWOONSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000724300760 711573900 /nfs/dbraw/zinc/57/39/00/711573900.db2.gz LVMIOUOMUBBEPZ-LJISPDSOSA-N 1 0 247.382 3.541 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724393919 711577812 /nfs/dbraw/zinc/57/78/12/711577812.db2.gz GHKIOSZREDZGBK-UHFFFAOYSA-N 1 0 238.375 3.640 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724394366 711577746 /nfs/dbraw/zinc/57/77/46/711577746.db2.gz KIMQFBCCLRCIQA-UHFFFAOYSA-N 1 0 238.375 3.640 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724394851 711577920 /nfs/dbraw/zinc/57/79/20/711577920.db2.gz OLFMDYFKROUETN-LLVKDONJSA-N 1 0 238.375 3.640 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724394853 711577953 /nfs/dbraw/zinc/57/79/53/711577953.db2.gz OLFMDYFKROUETN-NSHDSACASA-N 1 0 238.375 3.640 20 0 BHADRO CCCCCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724395592 711577492 /nfs/dbraw/zinc/57/74/92/711577492.db2.gz UUEBVIJFVNBPCC-UHFFFAOYSA-N 1 0 238.375 3.642 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724395982 711577496 /nfs/dbraw/zinc/57/74/96/711577496.db2.gz YFGZWYDMCTUJRL-LLVKDONJSA-N 1 0 238.375 3.640 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724395983 711577733 /nfs/dbraw/zinc/57/77/33/711577733.db2.gz YFGZWYDMCTUJRL-NSHDSACASA-N 1 0 238.375 3.640 20 0 BHADRO CC(C)(C)c1coc(C[NH2+][C@@]2(C)CC=CCC2)n1 ZINC000724408206 711578887 /nfs/dbraw/zinc/57/88/87/711578887.db2.gz OZWHKFUJAGURRI-HNNXBMFYSA-N 1 0 248.370 3.561 20 0 BHADRO CC(C)(C)c1coc(C[NH2+][C@]2(C)CC=CCC2)n1 ZINC000724408207 711578894 /nfs/dbraw/zinc/57/88/94/711578894.db2.gz OZWHKFUJAGURRI-OAHLLOKOSA-N 1 0 248.370 3.561 20 0 BHADRO CC(C)(C)c1coc(C[NH2+]C2CCC=CCC2)n1 ZINC000724425472 711579424 /nfs/dbraw/zinc/57/94/24/711579424.db2.gz VRKYYSDPKDDBPL-UHFFFAOYSA-N 1 0 248.370 3.561 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724426946 711579691 /nfs/dbraw/zinc/57/96/91/711579691.db2.gz OXGGXPJWYBMCAH-RFQIPJPRSA-N 1 0 241.419 3.604 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724426947 711579911 /nfs/dbraw/zinc/57/99/11/711579911.db2.gz OXGGXPJWYBMCAH-RQJABVFESA-N 1 0 241.419 3.604 20 0 BHADRO CC(C)(C)c1coc(C[NH2+]CCC2=CCCC2)n1 ZINC000724433472 710740734 /nfs/dbraw/zinc/74/07/34/710740734.db2.gz SWXYEMCILDQISB-UHFFFAOYSA-N 1 0 248.370 3.562 20 0 BHADRO CCC1([NH2+]C[C@H]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000724438306 711580259 /nfs/dbraw/zinc/58/02/59/711580259.db2.gz LJPJIMHYDQQPNQ-WDNDVIMCSA-N 1 0 239.403 3.502 20 0 BHADRO CSCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC000725119789 711653233 /nfs/dbraw/zinc/65/32/33/711653233.db2.gz BLBPDUZQDCNSKA-UHFFFAOYSA-N 1 0 249.423 3.829 20 0 BHADRO CC[NH+](CC)Cc1ccc(CC(C)C)cc1 ZINC000725794352 582856816 /nfs/dbraw/zinc/85/68/16/582856816.db2.gz CIMWZOYSTWKYHD-UHFFFAOYSA-N 1 0 219.372 3.727 20 0 BHADRO CC(C)Cc1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000725794685 711609335 /nfs/dbraw/zinc/60/93/35/711609335.db2.gz FGRRDNPCVKVASB-UHFFFAOYSA-N 1 0 231.383 3.727 20 0 BHADRO CCC[N@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000725798140 632111948 /nfs/dbraw/zinc/11/19/48/632111948.db2.gz QGDSBHZUXHAPJG-UHFFFAOYSA-N 1 0 219.372 3.727 20 0 BHADRO CCC1(C)CC[NH+](CCc2cccs2)CC1 ZINC000725805123 582862173 /nfs/dbraw/zinc/86/21/73/582862173.db2.gz PMIKDYLEPQPIER-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC000725806882 582863067 /nfs/dbraw/zinc/86/30/67/582863067.db2.gz PUHFXZMCACAJTK-UHFFFAOYSA-N 1 0 246.398 3.609 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000726071127 583327443 /nfs/dbraw/zinc/32/74/43/583327443.db2.gz JPGXQXDYHMOKPE-FLUIGGAXSA-N 1 0 235.758 3.537 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000726071396 583327775 /nfs/dbraw/zinc/32/77/75/583327775.db2.gz JPGXQXDYHMOKPE-GBVBUYCNSA-N 1 0 235.758 3.537 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000726071399 583327831 /nfs/dbraw/zinc/32/78/31/583327831.db2.gz JPGXQXDYHMOKPE-IBSXUBTNSA-N 1 0 235.758 3.537 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000726071402 583327768 /nfs/dbraw/zinc/32/77/68/583327768.db2.gz JPGXQXDYHMOKPE-UKOWJOKBSA-N 1 0 235.758 3.537 20 0 BHADRO C[N@@H+](C/C=C\Cl)CCC1CCCCC1 ZINC000726072310 583334796 /nfs/dbraw/zinc/33/47/96/583334796.db2.gz PMMLVZWJLFJGTM-UITAMQMPSA-N 1 0 215.768 3.641 20 0 BHADRO C[N@@H+](C/C=C/Cl)CCC1CCCCC1 ZINC000726072313 583334377 /nfs/dbraw/zinc/33/43/77/583334377.db2.gz PMMLVZWJLFJGTM-WEVVVXLNSA-N 1 0 215.768 3.641 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000726596648 583362075 /nfs/dbraw/zinc/36/20/75/583362075.db2.gz QHFUWJMLEKNYCM-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC(C)C ZINC000726691730 583368252 /nfs/dbraw/zinc/36/82/52/583368252.db2.gz JPXUYGFSGIBLHO-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO Cl/C=C/C[NH+]1CCC2(CCCCC2)CC1 ZINC000726693231 583368407 /nfs/dbraw/zinc/36/84/07/583368407.db2.gz XVXBBVIRWHSQQO-RUDMXATFSA-N 1 0 227.779 3.785 20 0 BHADRO Cl/C=C\C[NH+]1CCC2(CCCCC2)CC1 ZINC000726693232 583368238 /nfs/dbraw/zinc/36/82/38/583368238.db2.gz XVXBBVIRWHSQQO-WTKPLQERSA-N 1 0 227.779 3.785 20 0 BHADRO CCCC[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000726705384 583368176 /nfs/dbraw/zinc/36/81/76/583368176.db2.gz JLUIAVLJIVLWIR-AWEZNQCLSA-N 1 0 235.371 3.544 20 0 BHADRO CCCC[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000726705385 583368647 /nfs/dbraw/zinc/36/86/47/583368647.db2.gz JLUIAVLJIVLWIR-CQSZACIVSA-N 1 0 235.371 3.544 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000726874663 583379954 /nfs/dbraw/zinc/37/99/54/583379954.db2.gz MIMGHAZEVLBDRH-AOOOYVTPSA-N 1 0 243.803 3.879 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000726874665 583380420 /nfs/dbraw/zinc/38/04/20/583380420.db2.gz MIMGHAZEVLBDRH-NXEZZACHSA-N 1 0 243.803 3.879 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000726874666 583380058 /nfs/dbraw/zinc/38/00/58/583380058.db2.gz MIMGHAZEVLBDRH-UWVGGRQHSA-N 1 0 243.803 3.879 20 0 BHADRO CC(C)Oc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000726972236 583579174 /nfs/dbraw/zinc/57/91/74/583579174.db2.gz ZHPSYNFRAKYOAD-UHFFFAOYSA-N 1 0 249.398 3.952 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000727222054 583623689 /nfs/dbraw/zinc/62/36/89/583623689.db2.gz FKEHKAGNLAYJFR-IZIDJEDMSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000727222055 583623363 /nfs/dbraw/zinc/62/33/63/583623363.db2.gz FKEHKAGNLAYJFR-MLBQELRYSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000727222056 583623584 /nfs/dbraw/zinc/62/35/84/583623584.db2.gz FKEHKAGNLAYJFR-WCLQSUPFSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000727222057 583623710 /nfs/dbraw/zinc/62/37/10/583623710.db2.gz FKEHKAGNLAYJFR-WGPYJDKQSA-N 1 0 249.785 3.836 20 0 BHADRO CC[N@H+](Cc1cc(Cl)nc(Cl)c1)C(C)C ZINC000727433966 583650767 /nfs/dbraw/zinc/65/07/67/583650767.db2.gz GZXGFNAIOGOPES-UHFFFAOYSA-N 1 0 247.169 3.619 20 0 BHADRO c1cc(C[NH2+]CCCSc2ccccc2)co1 ZINC000727463751 583655374 /nfs/dbraw/zinc/65/53/74/583655374.db2.gz FQYSCPSPTJVYDJ-UHFFFAOYSA-N 1 0 247.363 3.552 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000727464014 583655601 /nfs/dbraw/zinc/65/56/01/583655601.db2.gz QNEIYXVGRAFDND-GFCCVEGCSA-N 1 0 245.370 3.621 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000727464016 583655361 /nfs/dbraw/zinc/65/53/61/583655361.db2.gz QNEIYXVGRAFDND-LBPRGKRZSA-N 1 0 245.370 3.621 20 0 BHADRO Cc1ccc(CCC[NH2+]Cc2ccoc2)c(C)c1 ZINC000727464095 583655613 /nfs/dbraw/zinc/65/56/13/583655613.db2.gz MMRJYKFRKMXIEY-UHFFFAOYSA-N 1 0 243.350 3.619 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000727466361 583655448 /nfs/dbraw/zinc/65/54/48/583655448.db2.gz LMUYRVNGTSJUFU-BXUZGUMPSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000727466362 583655770 /nfs/dbraw/zinc/65/57/70/583655770.db2.gz LMUYRVNGTSJUFU-FZMZJTMJSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000727466363 583655296 /nfs/dbraw/zinc/65/52/96/583655296.db2.gz LMUYRVNGTSJUFU-RISCZKNCSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000727466364 583655435 /nfs/dbraw/zinc/65/54/35/583655435.db2.gz LMUYRVNGTSJUFU-SMDDNHRTSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1cc(C)c(CC[NH2+]Cc2ccoc2)c(C)c1 ZINC000727466682 583655736 /nfs/dbraw/zinc/65/57/36/583655736.db2.gz BVNFCTVAKNWRGP-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO CC(C)(CC[NH2+]Cc1ccoc1)c1ccccc1 ZINC000727468464 583657495 /nfs/dbraw/zinc/65/74/95/583657495.db2.gz LCBHGPKMRFKCHA-UHFFFAOYSA-N 1 0 243.350 3.737 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccoc2)c1 ZINC000727468660 583657165 /nfs/dbraw/zinc/65/71/65/583657165.db2.gz LDHAZKUDFNJFBI-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000727468852 583657453 /nfs/dbraw/zinc/65/74/53/583657453.db2.gz PZKYDCBNQJCVOF-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000727468853 583657188 /nfs/dbraw/zinc/65/71/88/583657188.db2.gz PZKYDCBNQJCVOF-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO c1cc(C[NH2+]Cc2cc3c(s2)CCCC3)co1 ZINC000727469370 583657435 /nfs/dbraw/zinc/65/74/35/583657435.db2.gz VHAJIVDYQGGRPZ-UHFFFAOYSA-N 1 0 247.363 3.510 20 0 BHADRO Fc1ccc(C2([NH2+]Cc3ccoc3)CCC2)cc1 ZINC000727470832 583656718 /nfs/dbraw/zinc/65/67/18/583656718.db2.gz ONDFEFGHDBZBOS-UHFFFAOYSA-N 1 0 245.297 3.588 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+]Cc1ccoc1 ZINC000727470877 583656924 /nfs/dbraw/zinc/65/69/24/583656924.db2.gz QCUZBRPVZAMLCT-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO CC(C)([NH2+]Cc1ccoc1)c1ccc(Cl)cc1 ZINC000727472117 583656953 /nfs/dbraw/zinc/65/69/53/583656953.db2.gz WCQXTEZRZLEFOM-UHFFFAOYSA-N 1 0 249.741 3.958 20 0 BHADRO CC(C)[N@H+](CCc1cccs1)C1CCCC1 ZINC000727757935 583764833 /nfs/dbraw/zinc/76/48/33/583764833.db2.gz MVYLZIPRVWLFGO-UHFFFAOYSA-N 1 0 237.412 3.944 20 0 BHADRO C[C@@H]1C[N@H+](CC2CCCC2)Cc2ccccc21 ZINC000727827840 583782276 /nfs/dbraw/zinc/78/22/76/583782276.db2.gz TZHKLIWWQBSFQO-CYBMUJFWSA-N 1 0 229.367 3.796 20 0 BHADRO C[C@H]1C[N@H+](CC2CCCC2)Cc2ccccc21 ZINC000727827841 583782337 /nfs/dbraw/zinc/78/23/37/583782337.db2.gz TZHKLIWWQBSFQO-ZDUSSCGKSA-N 1 0 229.367 3.796 20 0 BHADRO c1cc(C[NH2+]CCCCCc2ccccc2)co1 ZINC000727837733 583782702 /nfs/dbraw/zinc/78/27/02/583782702.db2.gz UOXDNRRENFFMED-UHFFFAOYSA-N 1 0 243.350 3.782 20 0 BHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000727839099 583783376 /nfs/dbraw/zinc/78/33/76/583783376.db2.gz XOHVJPVFWXDQDM-CABCVRRESA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000727839100 583783549 /nfs/dbraw/zinc/78/35/49/583783549.db2.gz XOHVJPVFWXDQDM-GJZGRUSLSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000727839101 583783372 /nfs/dbraw/zinc/78/33/72/583783372.db2.gz XOHVJPVFWXDQDM-HUUCEWRRSA-N 1 0 235.371 3.974 20 0 BHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000727839102 583783380 /nfs/dbraw/zinc/78/33/80/583783380.db2.gz XOHVJPVFWXDQDM-LSDHHAIUSA-N 1 0 235.371 3.974 20 0 BHADRO CCCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000728052540 636238173 /nfs/dbraw/zinc/23/81/73/636238173.db2.gz JUZNEQNVQJMSHZ-INIZCTEOSA-N 1 0 229.367 3.938 20 0 BHADRO CCCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000728052541 636237583 /nfs/dbraw/zinc/23/75/83/636237583.db2.gz JUZNEQNVQJMSHZ-MRXNPFEDSA-N 1 0 229.367 3.938 20 0 BHADRO CC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728061724 583847092 /nfs/dbraw/zinc/84/70/92/583847092.db2.gz YWPGLZWHDOCEGV-GFCCVEGCSA-N 1 0 243.272 3.862 20 0 BHADRO CC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728061725 583847128 /nfs/dbraw/zinc/84/71/28/583847128.db2.gz YWPGLZWHDOCEGV-LBPRGKRZSA-N 1 0 243.272 3.862 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccoc2)cc1 ZINC000728595215 636278540 /nfs/dbraw/zinc/27/85/40/636278540.db2.gz RWNMZANPCXWHLH-UHFFFAOYSA-N 1 0 243.350 3.655 20 0 BHADRO COCCCCC[N@H+](C)C1CCCCCCC1 ZINC000728688056 583904266 /nfs/dbraw/zinc/90/42/66/583904266.db2.gz CIZSKFDVEWINHG-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO Cc1ccc(N(C)CCCOC(C)C)c(C)c1 ZINC000728688435 583904556 /nfs/dbraw/zinc/90/45/56/583904556.db2.gz PNMWXBTYNMNLNV-UHFFFAOYSA-N 1 0 235.371 3.555 20 0 BHADRO COCCCCCN(C)c1ccc(C)c(C)c1 ZINC000728688771 583904502 /nfs/dbraw/zinc/90/45/02/583904502.db2.gz VNIHBANBQZKFSK-UHFFFAOYSA-N 1 0 235.371 3.556 20 0 BHADRO COCCCCCN(C)c1ccc(C)cc1C ZINC000728688786 583904428 /nfs/dbraw/zinc/90/44/28/583904428.db2.gz WOCPFNJWFSFXTG-UHFFFAOYSA-N 1 0 235.371 3.556 20 0 BHADRO CC(C)OCCC[N@H+](C)C1CCCCCCC1 ZINC000728688806 583904495 /nfs/dbraw/zinc/90/44/95/583904495.db2.gz YHAYNTBMGQINGF-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO CC(C)([NH2+]CC1CCCC1)c1ccc(F)cc1 ZINC000728929262 583937434 /nfs/dbraw/zinc/93/74/34/583937434.db2.gz TWSLEUJYWJDZTI-UHFFFAOYSA-N 1 0 235.346 3.841 20 0 BHADRO C[Si](C)(C)C[N@H+](Cc1ccccc1)C1CC1 ZINC000729266789 583987949 /nfs/dbraw/zinc/98/79/49/583987949.db2.gz CYWVYRUYTLTYBL-UHFFFAOYSA-N 1 0 233.431 3.528 20 0 BHADRO C[N@H+](Cc1ccc(Cl)s1)C[Si](C)(C)C ZINC000729266999 583988154 /nfs/dbraw/zinc/98/81/54/583988154.db2.gz GUMSWJCXYYJZBR-UHFFFAOYSA-N 1 0 247.867 3.711 20 0 BHADRO Cc1ccc(OCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000729267006 583987953 /nfs/dbraw/zinc/98/79/53/583987953.db2.gz VNBYUXAEJARJGM-GASCZTMLSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1ccc(OCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000729267008 583988240 /nfs/dbraw/zinc/98/82/40/583988240.db2.gz VNBYUXAEJARJGM-GJZGRUSLSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1ccc(OCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000729267010 583988077 /nfs/dbraw/zinc/98/80/77/583988077.db2.gz VNBYUXAEJARJGM-HUUCEWRRSA-N 1 0 247.382 3.637 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)C[Si](C)(C)C ZINC000729267129 583987947 /nfs/dbraw/zinc/98/79/47/583987947.db2.gz KCDDGQIIHVPISO-JTQLQIEISA-N 1 0 227.449 3.618 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)C[Si](C)(C)C ZINC000729267131 583988229 /nfs/dbraw/zinc/98/82/29/583988229.db2.gz KCDDGQIIHVPISO-SNVBAGLBSA-N 1 0 227.449 3.618 20 0 BHADRO C[C@H]1c2ccsc2CC[N@H+]1C[Si](C)(C)C ZINC000729267308 583988170 /nfs/dbraw/zinc/98/81/70/583988170.db2.gz QKZXEGWOKBICMH-JTQLQIEISA-N 1 0 239.460 3.545 20 0 BHADRO C[C@@H]1c2ccsc2CC[N@H+]1C[Si](C)(C)C ZINC000729267309 583988196 /nfs/dbraw/zinc/98/81/96/583988196.db2.gz QKZXEGWOKBICMH-SNVBAGLBSA-N 1 0 239.460 3.545 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000729267330 583987999 /nfs/dbraw/zinc/98/79/99/583987999.db2.gz RCWGKHMXWQDBLS-GFCCVEGCSA-N 1 0 239.460 3.762 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000729267331 583987986 /nfs/dbraw/zinc/98/79/86/583987986.db2.gz RCWGKHMXWQDBLS-LBPRGKRZSA-N 1 0 239.460 3.762 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[Si](C)(C)C ZINC000729267524 583988218 /nfs/dbraw/zinc/98/82/18/583988218.db2.gz WATLLBYZJBXLEZ-LLVKDONJSA-N 1 0 239.410 3.696 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[Si](C)(C)C ZINC000729267525 583987961 /nfs/dbraw/zinc/98/79/61/583987961.db2.gz WATLLBYZJBXLEZ-NSHDSACASA-N 1 0 239.410 3.696 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000729267543 583988266 /nfs/dbraw/zinc/98/82/66/583988266.db2.gz XBBJQFSVRGRPNT-AWEZNQCLSA-N 1 0 233.431 3.701 20 0 BHADRO C[Si](C)(C)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000729267544 583987923 /nfs/dbraw/zinc/98/79/23/583987923.db2.gz XBBJQFSVRGRPNT-CQSZACIVSA-N 1 0 233.431 3.701 20 0 BHADRO C[Si](C)(C)C[N@H+](Cc1cccs1)C1CC1 ZINC000729267606 583987925 /nfs/dbraw/zinc/98/79/25/583987925.db2.gz ZCLCUCPSDAJSBZ-UHFFFAOYSA-N 1 0 239.460 3.590 20 0 BHADRO C[C@H](c1ccccc1F)[N@H+](C)C[Si](C)(C)C ZINC000729268213 583988137 /nfs/dbraw/zinc/98/81/37/583988137.db2.gz RHWNJYNTAGZYKG-LLVKDONJSA-N 1 0 239.410 3.696 20 0 BHADRO C[C@@H](c1ccccc1F)[N@H+](C)C[Si](C)(C)C ZINC000729268214 583987971 /nfs/dbraw/zinc/98/79/71/583987971.db2.gz RHWNJYNTAGZYKG-NSHDSACASA-N 1 0 239.410 3.696 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000729474354 584015117 /nfs/dbraw/zinc/01/51/17/584015117.db2.gz GBGREFIZTVBPOQ-CYBMUJFWSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000729474355 584015179 /nfs/dbraw/zinc/01/51/79/584015179.db2.gz GBGREFIZTVBPOQ-ZDUSSCGKSA-N 1 0 237.412 3.801 20 0 BHADRO Cc1cccc2c1CC[N@H+](CC1CCCC1)C2 ZINC000729476729 584015306 /nfs/dbraw/zinc/01/53/06/584015306.db2.gz DXONBYQFTRRUMU-UHFFFAOYSA-N 1 0 229.367 3.543 20 0 BHADRO CCC(CC)[N@H+](CCOCCC(C)C)C1CC1 ZINC000729542547 584018212 /nfs/dbraw/zinc/01/82/12/584018212.db2.gz LGQNEJLNIGDVKL-UHFFFAOYSA-N 1 0 241.419 3.702 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C/C=C\Cl)C1CC1 ZINC000729544687 584017876 /nfs/dbraw/zinc/01/78/76/584017876.db2.gz LAWXWZCDMPYDQJ-CGBBGSNDSA-N 1 0 215.768 3.638 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C/C=C/Cl)C1CC1 ZINC000729544688 584018147 /nfs/dbraw/zinc/01/81/47/584018147.db2.gz LAWXWZCDMPYDQJ-DBWQMSJVSA-N 1 0 215.768 3.638 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C/C=C/Cl)C1CC1 ZINC000729544690 584017687 /nfs/dbraw/zinc/01/76/87/584017687.db2.gz LAWXWZCDMPYDQJ-VAZREYJMSA-N 1 0 215.768 3.638 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C/C=C\Cl)C1CC1 ZINC000729544692 584017955 /nfs/dbraw/zinc/01/79/55/584017955.db2.gz LAWXWZCDMPYDQJ-ZSDATDQRSA-N 1 0 215.768 3.638 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000729682860 584022663 /nfs/dbraw/zinc/02/26/63/584022663.db2.gz DPOYHHGOMMIGJT-HNNXBMFYSA-N 1 0 249.398 3.980 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000729682861 584022468 /nfs/dbraw/zinc/02/24/68/584022468.db2.gz DPOYHHGOMMIGJT-OAHLLOKOSA-N 1 0 249.398 3.980 20 0 BHADRO Clc1cccc(CCC[NH2+]Cc2ccoc2)c1 ZINC000729683440 584022756 /nfs/dbraw/zinc/02/27/56/584022756.db2.gz NNRUOVXLZQSBPS-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO Clc1ccc(CCC[NH2+]Cc2ccoc2)cc1 ZINC000729683995 584022554 /nfs/dbraw/zinc/02/25/54/584022554.db2.gz CBYGIJQCELKDSJ-UHFFFAOYSA-N 1 0 249.741 3.655 20 0 BHADRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccoc1 ZINC000729685931 584022864 /nfs/dbraw/zinc/02/28/64/584022864.db2.gz WNSIXHKNFNBUSR-UHFFFAOYSA-N 1 0 243.350 3.699 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062798 584119960 /nfs/dbraw/zinc/11/99/60/584119960.db2.gz SRGAWXQTQHAOMS-BOSPYUDASA-N 1 0 249.785 3.694 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000730062800 584119995 /nfs/dbraw/zinc/11/99/95/584119995.db2.gz SRGAWXQTQHAOMS-FUVBFXSKSA-N 1 0 249.785 3.694 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000730062802 584119928 /nfs/dbraw/zinc/11/99/28/584119928.db2.gz SRGAWXQTQHAOMS-HMZQOCAUSA-N 1 0 249.785 3.694 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062804 584119721 /nfs/dbraw/zinc/11/97/21/584119721.db2.gz SRGAWXQTQHAOMS-ZHMISCPASA-N 1 0 249.785 3.694 20 0 BHADRO CCC(CC)C[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000730109842 584123345 /nfs/dbraw/zinc/12/33/45/584123345.db2.gz YJUXMRZZVRVLOB-UHFFFAOYSA-N 1 0 249.398 3.838 20 0 BHADRO CCCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000730260251 584897309 /nfs/dbraw/zinc/89/73/09/584897309.db2.gz FIXWMMCXZOBRDU-UHFFFAOYSA-N 1 0 231.383 3.975 20 0 BHADRO Cc1ccccc1C1CC[NH+](C/C=C/Cl)CC1 ZINC000730378507 584910319 /nfs/dbraw/zinc/91/03/19/584910319.db2.gz QGIYLQFHLLMOSK-RUDMXATFSA-N 1 0 249.785 3.927 20 0 BHADRO Cc1ccccc1C1CC[NH+](C/C=C\Cl)CC1 ZINC000730378509 584910255 /nfs/dbraw/zinc/91/02/55/584910255.db2.gz QGIYLQFHLLMOSK-WTKPLQERSA-N 1 0 249.785 3.927 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccoc1)c1ccccc1 ZINC000730817693 584916809 /nfs/dbraw/zinc/91/68/09/584916809.db2.gz RSYMCNREJJDDCJ-HNNXBMFYSA-N 1 0 229.323 3.695 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccoc1)c1ccccc1 ZINC000730817694 584916847 /nfs/dbraw/zinc/91/68/47/584916847.db2.gz RSYMCNREJJDDCJ-OAHLLOKOSA-N 1 0 229.323 3.695 20 0 BHADRO ClC1(Cl)C[C@@H]1C[N@H+](C1CC1)C1CCCC1 ZINC000730893257 584919583 /nfs/dbraw/zinc/91/95/83/584919583.db2.gz OLQQKGAGQVQLLN-SECBINFHSA-N 1 0 248.197 3.587 20 0 BHADRO ClC1(Cl)C[C@H]1C[N@H+](C1CC1)C1CCCC1 ZINC000730893258 584919558 /nfs/dbraw/zinc/91/95/58/584919558.db2.gz OLQQKGAGQVQLLN-VIFPVBQESA-N 1 0 248.197 3.587 20 0 BHADRO CCCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000730932732 584919977 /nfs/dbraw/zinc/91/99/77/584919977.db2.gz OGAVYBIDVHDRDK-UHFFFAOYSA-N 1 0 235.346 3.985 20 0 BHADRO CCC[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000730934197 584920105 /nfs/dbraw/zinc/92/01/05/584920105.db2.gz UCHLOQGXTYCLMG-UHFFFAOYSA-N 1 0 249.398 3.956 20 0 BHADRO CC[N@H+](C[Si](C)(C)C)C1CCCCC1 ZINC000731210183 584923404 /nfs/dbraw/zinc/92/34/04/584923404.db2.gz BKHKUJMVFZEITA-UHFFFAOYSA-N 1 0 213.441 3.518 20 0 BHADRO C[C@H]1C[N@@H+]([C@@H]2C=CCCC2)Cc2ccccc21 ZINC000731210633 584923419 /nfs/dbraw/zinc/92/34/19/584923419.db2.gz WRHHHCFKTLFPQO-DZGCQCFKSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)Cc2ccccc21 ZINC000731210634 584923430 /nfs/dbraw/zinc/92/34/30/584923430.db2.gz WRHHHCFKTLFPQO-HIFRSBDPSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)Cc2ccccc21 ZINC000731210635 584923532 /nfs/dbraw/zinc/92/35/32/584923532.db2.gz WRHHHCFKTLFPQO-UKRRQHHQSA-N 1 0 227.351 3.714 20 0 BHADRO C[C@H]1C[N@@H+]([C@H]2C=CCCC2)Cc2ccccc21 ZINC000731210636 584923596 /nfs/dbraw/zinc/92/35/96/584923596.db2.gz WRHHHCFKTLFPQO-ZFWWWQNUSA-N 1 0 227.351 3.714 20 0 BHADRO CCC(CC)[N@H+](C[Si](C)(C)C)C1CC1 ZINC000731211608 584923786 /nfs/dbraw/zinc/92/37/86/584923786.db2.gz QLVPSBULLHQPLE-UHFFFAOYSA-N 1 0 213.441 3.517 20 0 BHADRO c1ccc(CC[N@H+](C2CC2)[C@H]2C=CCCC2)cc1 ZINC000731211978 584923636 /nfs/dbraw/zinc/92/36/36/584923636.db2.gz MCVAVEMWTGZIAW-INIZCTEOSA-N 1 0 241.378 3.802 20 0 BHADRO c1ccc(CC[N@H+](C2CC2)[C@@H]2C=CCCC2)cc1 ZINC000731211979 584923894 /nfs/dbraw/zinc/92/38/94/584923894.db2.gz MCVAVEMWTGZIAW-MRXNPFEDSA-N 1 0 241.378 3.802 20 0 BHADRO CC(C)[N@H+](Cc1cccs1)C[Si](C)(C)C ZINC000731212158 584923739 /nfs/dbraw/zinc/92/37/39/584923739.db2.gz WPKMHDLLRCBEOM-UHFFFAOYSA-N 1 0 241.476 3.836 20 0 BHADRO C[C@H](C[N@H+](C)C[Si](C)(C)C)c1ccccc1 ZINC000731212452 584923728 /nfs/dbraw/zinc/92/37/28/584923728.db2.gz MUPVBRSVOPQDKR-CYBMUJFWSA-N 1 0 235.447 3.599 20 0 BHADRO C[C@@H](C[N@H+](C)C[Si](C)(C)C)c1ccccc1 ZINC000731212453 584923721 /nfs/dbraw/zinc/92/37/21/584923721.db2.gz MUPVBRSVOPQDKR-ZDUSSCGKSA-N 1 0 235.447 3.599 20 0 BHADRO CC(C)([NH2+][C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000731213264 584923746 /nfs/dbraw/zinc/92/37/46/584923746.db2.gz MPWQOMSWUPFXMN-AWEZNQCLSA-N 1 0 233.330 3.759 20 0 BHADRO CC(C)([NH2+][C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000731213265 584923565 /nfs/dbraw/zinc/92/35/65/584923565.db2.gz MPWQOMSWUPFXMN-CQSZACIVSA-N 1 0 233.330 3.759 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccoc2)c(C)c1 ZINC000731218069 584923347 /nfs/dbraw/zinc/92/33/47/584923347.db2.gz SLHOWAGGKCMKKC-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccoc2)c(C)c1 ZINC000731218070 584923401 /nfs/dbraw/zinc/92/34/01/584923401.db2.gz SLHOWAGGKCMKKC-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccccc1OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000731279948 584924520 /nfs/dbraw/zinc/92/45/20/584924520.db2.gz WYXGPUYHAGKXNK-GASCZTMLSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1ccccc1OCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000731279950 584924411 /nfs/dbraw/zinc/92/44/11/584924411.db2.gz WYXGPUYHAGKXNK-GJZGRUSLSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1ccccc1OCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000731279953 584924566 /nfs/dbraw/zinc/92/45/66/584924566.db2.gz WYXGPUYHAGKXNK-HUUCEWRRSA-N 1 0 247.382 3.637 20 0 BHADRO C[N@H+](CCc1ccccc1F)CC1CCCCC1 ZINC000731670991 584928104 /nfs/dbraw/zinc/92/81/04/584928104.db2.gz LIMDTMSLVYPHDV-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731675391 584928091 /nfs/dbraw/zinc/92/80/91/584928091.db2.gz SHOXONXCNOCSET-GFCCVEGCSA-N 1 0 247.382 3.678 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731675393 584928130 /nfs/dbraw/zinc/92/81/30/584928130.db2.gz SHOXONXCNOCSET-LBPRGKRZSA-N 1 0 247.382 3.678 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000732205484 584934654 /nfs/dbraw/zinc/93/46/54/584934654.db2.gz ICWUMZHIDIVNGC-AWEZNQCLSA-N 1 0 249.398 3.952 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000732205485 584934733 /nfs/dbraw/zinc/93/47/33/584934733.db2.gz ICWUMZHIDIVNGC-CQSZACIVSA-N 1 0 249.398 3.952 20 0 BHADRO CCCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732208888 584934848 /nfs/dbraw/zinc/93/48/48/584934848.db2.gz GJZRNUKUCBUHHX-FMKPAKJESA-N 1 0 247.382 3.637 20 0 BHADRO CCCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732208889 584934758 /nfs/dbraw/zinc/93/47/58/584934758.db2.gz GJZRNUKUCBUHHX-IIAWOOMASA-N 1 0 247.382 3.637 20 0 BHADRO CCCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732208890 584934794 /nfs/dbraw/zinc/93/47/94/584934794.db2.gz GJZRNUKUCBUHHX-IJEWVQPXSA-N 1 0 247.382 3.637 20 0 BHADRO CCCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732208891 584934583 /nfs/dbraw/zinc/93/45/83/584934583.db2.gz GJZRNUKUCBUHHX-YCPHGPKFSA-N 1 0 247.382 3.637 20 0 BHADRO COc1c(C)cc(C[NH2+]C(C)(C)C(C)C)cc1C ZINC000732229524 584934606 /nfs/dbraw/zinc/93/46/06/584934606.db2.gz FHOKTBMCUXSNHI-UHFFFAOYSA-N 1 0 249.398 3.836 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000732229663 584934573 /nfs/dbraw/zinc/93/45/73/584934573.db2.gz UZDPEDAFKZSLKR-UHFFFAOYSA-N 1 0 249.398 3.980 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000732411889 584936988 /nfs/dbraw/zinc/93/69/88/584936988.db2.gz CGBAWNPKFNQGQI-UITAMQMPSA-N 1 0 227.779 3.785 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000732411890 584936892 /nfs/dbraw/zinc/93/68/92/584936892.db2.gz CGBAWNPKFNQGQI-WEVVVXLNSA-N 1 0 227.779 3.785 20 0 BHADRO Clc1ccc(C2([NH2+]Cc3ccoc3)CC2)cc1 ZINC000732672676 584939672 /nfs/dbraw/zinc/93/96/72/584939672.db2.gz VQLLVTBWDNDYEC-UHFFFAOYSA-N 1 0 247.725 3.712 20 0 BHADRO CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987314 641883250 /nfs/dbraw/zinc/88/32/50/641883250.db2.gz UGUBWZHILCDZRE-CYBMUJFWSA-N 1 0 225.282 3.512 20 0 BHADRO CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987315 641882553 /nfs/dbraw/zinc/88/25/53/641882553.db2.gz UGUBWZHILCDZRE-ZDUSSCGKSA-N 1 0 225.282 3.512 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732988308 641883762 /nfs/dbraw/zinc/88/37/62/641883762.db2.gz GRTOZPDECPAIOZ-AWEZNQCLSA-N 1 0 239.309 3.758 20 0 BHADRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732988309 641882948 /nfs/dbraw/zinc/88/29/48/641882948.db2.gz GRTOZPDECPAIOZ-CQSZACIVSA-N 1 0 239.309 3.758 20 0 BHADRO CCCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732990010 641883362 /nfs/dbraw/zinc/88/33/62/641883362.db2.gz ZNDNADKPABRGEB-AWEZNQCLSA-N 1 0 239.309 3.902 20 0 BHADRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732990011 641882468 /nfs/dbraw/zinc/88/24/68/641882468.db2.gz ZNDNADKPABRGEB-CQSZACIVSA-N 1 0 239.309 3.902 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)C2CCCCC2)o1 ZINC000733304792 643323737 /nfs/dbraw/zinc/32/37/37/643323737.db2.gz TYFVQJSZHQZODZ-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CC(C)c1cnc(C[NH+]2CCCCCCC2)o1 ZINC000733305099 643323658 /nfs/dbraw/zinc/32/36/58/643323658.db2.gz YGNWWHBCIVYYFP-UHFFFAOYSA-N 1 0 236.359 3.564 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000733305107 643323679 /nfs/dbraw/zinc/32/36/79/643323679.db2.gz YULPVDAOMGLYKD-GFCCVEGCSA-N 1 0 236.359 3.563 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000733305108 643323371 /nfs/dbraw/zinc/32/33/71/643323371.db2.gz YULPVDAOMGLYKD-LBPRGKRZSA-N 1 0 236.359 3.563 20 0 BHADRO CC(C)c1cnc(C[N@H+]([C@H](C)C2CC2)C2CC2)o1 ZINC000733306740 584946983 /nfs/dbraw/zinc/94/69/83/584946983.db2.gz DVSHKTMTUZKCRH-LLVKDONJSA-N 1 0 248.370 3.561 20 0 BHADRO CC(C)c1cnc(C[N@H+]([C@@H](C)C2CC2)C2CC2)o1 ZINC000733306741 584946994 /nfs/dbraw/zinc/94/69/94/584946994.db2.gz DVSHKTMTUZKCRH-NSHDSACASA-N 1 0 248.370 3.561 20 0 BHADRO CC[N@H+](Cc1ncc(C(C)C)o1)C1CCCC1 ZINC000733306838 584947010 /nfs/dbraw/zinc/94/70/10/584947010.db2.gz HWSITFFKJFGOTJ-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CC(C)c1cnc(C[N@H+](C2CC2)C2CCCC2)o1 ZINC000733307190 584946970 /nfs/dbraw/zinc/94/69/70/584946970.db2.gz KHNWIJLIXKAKRC-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000733308048 584946934 /nfs/dbraw/zinc/94/69/34/584946934.db2.gz TUHPHDYTAYSQPT-LLVKDONJSA-N 1 0 238.375 3.664 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000733308049 584946641 /nfs/dbraw/zinc/94/66/41/584946641.db2.gz TUHPHDYTAYSQPT-NSHDSACASA-N 1 0 238.375 3.664 20 0 BHADRO CCC[N@@H+](Cc1ncc(C(C)C)o1)CC(C)C ZINC000733308211 584946949 /nfs/dbraw/zinc/94/69/49/584946949.db2.gz HWBKLCGSPPISKT-UHFFFAOYSA-N 1 0 238.375 3.666 20 0 BHADRO CC(C)C[N@H+](Cc1ncc(C(C)C)o1)C(C)C ZINC000733308386 584946684 /nfs/dbraw/zinc/94/66/84/584946684.db2.gz ZBWGAVWMLLIUOA-UHFFFAOYSA-N 1 0 238.375 3.664 20 0 BHADRO CC(C)c1cnc(C[NH+]2[C@@H](C)CCC[C@@H]2C)o1 ZINC000733309275 584946631 /nfs/dbraw/zinc/94/66/31/584946631.db2.gz IDYCBQYFYCGKFK-RYUDHWBXSA-N 1 0 236.359 3.561 20 0 BHADRO CC(C)c1cnc(C[NH+]2[C@H](C)CCC[C@H]2C)o1 ZINC000733309276 584946909 /nfs/dbraw/zinc/94/69/09/584946909.db2.gz IDYCBQYFYCGKFK-VXGBXAGGSA-N 1 0 236.359 3.561 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2C2CCC2)o1 ZINC000733309300 584946849 /nfs/dbraw/zinc/94/68/49/584946849.db2.gz IWLMNQRPBWKAHR-CYBMUJFWSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2C2CCC2)o1 ZINC000733309301 584946695 /nfs/dbraw/zinc/94/66/95/584946695.db2.gz IWLMNQRPBWKAHR-ZDUSSCGKSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@@H+](C/C=C/Cl)CCc1ccc(Cl)cc1 ZINC000733614202 584951295 /nfs/dbraw/zinc/95/12/95/584951295.db2.gz DWJSTLABVOYPNZ-KRXBUXKQSA-N 1 0 244.165 3.567 20 0 BHADRO C[N@@H+](C/C=C\Cl)CCc1ccc(Cl)cc1 ZINC000733614203 584951376 /nfs/dbraw/zinc/95/13/76/584951376.db2.gz DWJSTLABVOYPNZ-WAPJZHGLSA-N 1 0 244.165 3.567 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2C/C=C\Cl)cc1 ZINC000733614356 584951323 /nfs/dbraw/zinc/95/13/23/584951323.db2.gz NTSDVMCBVUYRSI-ACRUDFBXSA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C/C=C/Cl)cc1 ZINC000733614392 584951319 /nfs/dbraw/zinc/95/13/19/584951319.db2.gz NTSDVMCBVUYRSI-RUFWOKOUSA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccc(C[C@H]2CCC[N@@H+]2C/C=C/Cl)cc1 ZINC000733614394 584951311 /nfs/dbraw/zinc/95/13/11/584951311.db2.gz NTSDVMCBVUYRSI-RUGXIKGKSA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C/C=C\Cl)cc1 ZINC000733614395 584951354 /nfs/dbraw/zinc/95/13/54/584951354.db2.gz NTSDVMCBVUYRSI-YHTRPRNISA-N 1 0 249.785 3.754 20 0 BHADRO C[C@@]1(c2ccccc2)CCC[N@H+](C/C=C\Cl)C1 ZINC000733614737 584951394 /nfs/dbraw/zinc/95/13/94/584951394.db2.gz XYAJKLKZIVRVMC-IZIDJEDMSA-N 1 0 249.785 3.793 20 0 BHADRO C[C@]1(c2ccccc2)CCC[N@H+](C/C=C\Cl)C1 ZINC000733614738 584951285 /nfs/dbraw/zinc/95/12/85/584951285.db2.gz XYAJKLKZIVRVMC-MLBQELRYSA-N 1 0 249.785 3.793 20 0 BHADRO CCCC[NH2+]C1(c2ccc(OC)cc2)CCCC1 ZINC000733794839 643473870 /nfs/dbraw/zinc/47/38/70/643473870.db2.gz SMRLVOQJVCBQJT-UHFFFAOYSA-N 1 0 247.382 3.854 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CCc1cccs1 ZINC000734001688 584956245 /nfs/dbraw/zinc/95/62/45/584956245.db2.gz IIGALXHCRNALBW-GFCCVEGCSA-N 1 0 223.385 3.555 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CCc1cccs1 ZINC000734001689 584956064 /nfs/dbraw/zinc/95/60/64/584956064.db2.gz IIGALXHCRNALBW-LBPRGKRZSA-N 1 0 223.385 3.555 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCCC[C@H]2C)o1 ZINC000734002839 584956031 /nfs/dbraw/zinc/95/60/31/584956031.db2.gz QGYJLRJYTDRDCU-GFCCVEGCSA-N 1 0 236.359 3.563 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCCC[C@@H]2C)o1 ZINC000734002840 584956285 /nfs/dbraw/zinc/95/62/85/584956285.db2.gz QGYJLRJYTDRDCU-LBPRGKRZSA-N 1 0 236.359 3.563 20 0 BHADRO Cc1cc(C[NH2+]C/C=C/c2ccccc2)c(C)o1 ZINC000734003465 584956148 /nfs/dbraw/zinc/95/61/48/584956148.db2.gz FFVGCDOUONCYID-RMKNXTFCSA-N 1 0 241.334 3.699 20 0 BHADRO Cc1cc(C[NH2+]C/C=C\c2ccccc2)c(C)o1 ZINC000734003466 584956171 /nfs/dbraw/zinc/95/61/71/584956171.db2.gz FFVGCDOUONCYID-TWGQIWQCSA-N 1 0 241.334 3.699 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1C/C=C/Cl ZINC000734057926 643487547 /nfs/dbraw/zinc/48/75/47/643487547.db2.gz FBMJPDONMGYZMQ-KVEVGEHQSA-N 1 0 235.758 3.748 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1C/C=C\Cl ZINC000734057927 643488334 /nfs/dbraw/zinc/48/83/34/643488334.db2.gz FBMJPDONMGYZMQ-UQYHUFHVSA-N 1 0 235.758 3.748 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1C/C=C\Cl ZINC000734057928 643487941 /nfs/dbraw/zinc/48/79/41/643487941.db2.gz FBMJPDONMGYZMQ-VYLZPFMQSA-N 1 0 235.758 3.748 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1C/C=C/Cl ZINC000734057929 643488862 /nfs/dbraw/zinc/48/88/62/643488862.db2.gz FBMJPDONMGYZMQ-VZUFXWRPSA-N 1 0 235.758 3.748 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000734058312 643487258 /nfs/dbraw/zinc/48/72/58/643487258.db2.gz KCQCPUSMXMBRRZ-QGOGUYACSA-N 1 0 225.763 3.561 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000734058313 643488532 /nfs/dbraw/zinc/48/85/32/643488532.db2.gz KCQCPUSMXMBRRZ-WYOARUQKSA-N 1 0 225.763 3.561 20 0 BHADRO Cc1ccccc1OCC[N@H+]1CCCCC[C@@H]1C ZINC000734058661 643488452 /nfs/dbraw/zinc/48/84/52/643488452.db2.gz WXETWEQOCYNUFS-HNNXBMFYSA-N 1 0 247.382 3.638 20 0 BHADRO Cc1ccccc1OCC[N@H+]1CCCCC[C@H]1C ZINC000734058662 643488942 /nfs/dbraw/zinc/48/89/42/643488942.db2.gz WXETWEQOCYNUFS-OAHLLOKOSA-N 1 0 247.382 3.638 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000734211715 584959432 /nfs/dbraw/zinc/95/94/32/584959432.db2.gz YEPPSJIXAGVUGO-BOSPYUDASA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000734211717 584959344 /nfs/dbraw/zinc/95/93/44/584959344.db2.gz YEPPSJIXAGVUGO-FUVBFXSKSA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000734211718 584959351 /nfs/dbraw/zinc/95/93/51/584959351.db2.gz YEPPSJIXAGVUGO-HMZQOCAUSA-N 1 0 249.785 3.754 20 0 BHADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000734211719 584959323 /nfs/dbraw/zinc/95/93/23/584959323.db2.gz YEPPSJIXAGVUGO-ZHMISCPASA-N 1 0 249.785 3.754 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+]Cc1ccoc1 ZINC000734509406 643500734 /nfs/dbraw/zinc/50/07/34/643500734.db2.gz PPONJPGSQCQYMB-UHFFFAOYSA-N 1 0 241.290 3.624 20 0 BHADRO C[C@]1([NH2+]Cc2ccoc2)CCCc2ccccc21 ZINC000734843532 584968752 /nfs/dbraw/zinc/96/87/52/584968752.db2.gz NCWAUZHMCYLGBI-INIZCTEOSA-N 1 0 241.334 3.621 20 0 BHADRO C[C@@]1([NH2+]Cc2ccoc2)CCCc2ccccc21 ZINC000734843533 584968852 /nfs/dbraw/zinc/96/88/52/584968852.db2.gz NCWAUZHMCYLGBI-MRXNPFEDSA-N 1 0 241.334 3.621 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000734846299 584968848 /nfs/dbraw/zinc/96/88/48/584968848.db2.gz QDPZJHNESOYFMP-UHFFFAOYSA-N 1 0 249.398 3.980 20 0 BHADRO CCN(CCCCCOC)c1ccc(C)cc1 ZINC000735078271 584972745 /nfs/dbraw/zinc/97/27/45/584972745.db2.gz GQRRAXQGHAOVHP-UHFFFAOYSA-N 1 0 235.371 3.638 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000735311398 584975482 /nfs/dbraw/zinc/97/54/82/584975482.db2.gz IVVVWRFJIOHYRD-AWEZNQCLSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000735311401 584975471 /nfs/dbraw/zinc/97/54/71/584975471.db2.gz IVVVWRFJIOHYRD-CQSZACIVSA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000735311526 584975484 /nfs/dbraw/zinc/97/54/84/584975484.db2.gz RUBOBSUCSXMENQ-CYBMUJFWSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000735311529 584975208 /nfs/dbraw/zinc/97/52/08/584975208.db2.gz RUBOBSUCSXMENQ-ZDUSSCGKSA-N 1 0 237.412 3.803 20 0 BHADRO CC(C)(C[NH2+]Cc1ccoc1)Cc1ccccc1 ZINC000735324562 643534774 /nfs/dbraw/zinc/53/47/74/643534774.db2.gz RTOACQQZUAIJSP-UHFFFAOYSA-N 1 0 243.350 3.638 20 0 BHADRO CCCCC[N@H+](CCc1ccccc1)C1CC1 ZINC000735490985 584978107 /nfs/dbraw/zinc/97/81/07/584978107.db2.gz YNKBTBLEUJWQBZ-UHFFFAOYSA-N 1 0 231.383 3.884 20 0 BHADRO CCCCC[N@@H+]1CCc2c(C)cccc2C1 ZINC000735491149 584977894 /nfs/dbraw/zinc/97/78/94/584977894.db2.gz AOPAHMNVHWLSFC-UHFFFAOYSA-N 1 0 217.356 3.543 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCc1cccs1 ZINC000735871659 584982964 /nfs/dbraw/zinc/98/29/64/584982964.db2.gz MMELIOZHKQATTR-IPYPFGDCSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1cccs1 ZINC000735871664 584983065 /nfs/dbraw/zinc/98/30/65/584983065.db2.gz MMELIOZHKQATTR-NFAWXSAZSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1cccs1 ZINC000735871670 584982931 /nfs/dbraw/zinc/98/29/31/584982931.db2.gz MMELIOZHKQATTR-UMVBOHGHSA-N 1 0 249.423 3.944 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1cccs1 ZINC000735871673 584982874 /nfs/dbraw/zinc/98/28/74/584982874.db2.gz MMELIOZHKQATTR-VNHYZAJKSA-N 1 0 249.423 3.944 20 0 BHADRO CC(C)CC[N@H+](C)CCOC1CCCCCC1 ZINC000735920616 584984249 /nfs/dbraw/zinc/98/42/49/584984249.db2.gz TYTMFYMWGHVVKQ-UHFFFAOYSA-N 1 0 241.419 3.704 20 0 BHADRO Cc1cccc(C(C)(C)[NH2+]Cc2ccoc2)c1 ZINC000736359941 584999529 /nfs/dbraw/zinc/99/95/29/584999529.db2.gz LYUUYVBOCHOZPH-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO COc1c(C)cc(C[NH2+]CCCC2CC2)cc1C ZINC000736361901 584999268 /nfs/dbraw/zinc/99/92/68/584999268.db2.gz YBSINKOYDILTQO-UHFFFAOYSA-N 1 0 247.382 3.592 20 0 BHADRO Cc1cccc(C[N@@H+](C)C2CCCCCCC2)n1 ZINC000736946910 585019897 /nfs/dbraw/zinc/01/98/97/585019897.db2.gz WSWXMABXSHXRNG-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO c1csc(CC[NH+]2CCC3(CCCC3)CC2)c1 ZINC000738338530 585043477 /nfs/dbraw/zinc/04/34/77/585043477.db2.gz DVXSBHVLWLUKNN-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CCC2(CCCC2)CC1 ZINC000738343070 585043586 /nfs/dbraw/zinc/04/35/86/585043586.db2.gz JXKSBRJTSIGMNO-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CCC2(CCCC2)CC1 ZINC000738343074 585043608 /nfs/dbraw/zinc/04/36/08/585043608.db2.gz JXKSBRJTSIGMNO-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO CC(C)([NH2+]Cc1ccoc1)c1cccc(Cl)c1 ZINC000738435250 585045868 /nfs/dbraw/zinc/04/58/68/585045868.db2.gz DOWNEIYTAGXBIF-UHFFFAOYSA-N 1 0 249.741 3.958 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC000738878646 585053943 /nfs/dbraw/zinc/05/39/43/585053943.db2.gz WVAJMHMBIFVJFL-QLNSKBQOSA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC000738878647 585053910 /nfs/dbraw/zinc/05/39/10/585053910.db2.gz WVAJMHMBIFVJFL-UIKBEFBESA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC000738878648 585053897 /nfs/dbraw/zinc/05/38/97/585053897.db2.gz WVAJMHMBIFVJFL-VTDTZARESA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC000738878649 585053953 /nfs/dbraw/zinc/05/39/53/585053953.db2.gz WVAJMHMBIFVJFL-WNFXYAGKSA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccc(C[C@H](C)[N@H+](C)C/C=C\Cl)cc1 ZINC000738881988 585054009 /nfs/dbraw/zinc/05/40/09/585054009.db2.gz MQLUWHYRMSRMPA-PRUHKGEBSA-N 1 0 237.774 3.610 20 0 BHADRO Cc1ccc(C[C@@H](C)[N@H+](C)C/C=C\Cl)cc1 ZINC000738881994 585053795 /nfs/dbraw/zinc/05/37/95/585053795.db2.gz MQLUWHYRMSRMPA-VVOKDJNJSA-N 1 0 237.774 3.610 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCc1cccs1 ZINC000739927276 585086735 /nfs/dbraw/zinc/08/67/35/585086735.db2.gz SPSGEMFKZAITST-CYBMUJFWSA-N 1 0 237.412 3.945 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCc1cccs1 ZINC000739927280 585086774 /nfs/dbraw/zinc/08/67/74/585086774.db2.gz SPSGEMFKZAITST-ZDUSSCGKSA-N 1 0 237.412 3.945 20 0 BHADRO COc1c(C)cc(C[NH2+]C[C@H](C)C(C)C)cc1C ZINC000740014879 712402451 /nfs/dbraw/zinc/40/24/51/712402451.db2.gz XWTSYMAQKYQHQK-AWEZNQCLSA-N 1 0 249.398 3.694 20 0 BHADRO COc1c(C)cc(C[NH2+]C[C@@H](C)C(C)C)cc1C ZINC000740014880 712402472 /nfs/dbraw/zinc/40/24/72/712402472.db2.gz XWTSYMAQKYQHQK-CQSZACIVSA-N 1 0 249.398 3.694 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000740423795 585101674 /nfs/dbraw/zinc/10/16/74/585101674.db2.gz RABMVGXGSDVHTE-BIVWETNQSA-N 1 0 215.768 3.640 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000740423796 585101638 /nfs/dbraw/zinc/10/16/38/585101638.db2.gz RABMVGXGSDVHTE-CNNCQTGTSA-N 1 0 215.768 3.640 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000740423797 585101588 /nfs/dbraw/zinc/10/15/88/585101588.db2.gz RABMVGXGSDVHTE-HTMRKKJOSA-N 1 0 215.768 3.640 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000740423798 585101522 /nfs/dbraw/zinc/10/15/22/585101522.db2.gz RABMVGXGSDVHTE-TXBNAWBVSA-N 1 0 215.768 3.640 20 0 BHADRO CCCCCC[N@@H+]1CCc2sccc2C1 ZINC000740873624 644558905 /nfs/dbraw/zinc/55/89/05/644558905.db2.gz PTYATYIHWFPLRH-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000740874525 585107187 /nfs/dbraw/zinc/10/71/87/585107187.db2.gz MQAKAKKIAHPYHE-UHFFFAOYSA-N 1 0 241.325 3.977 20 0 BHADRO CCCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000740874554 644562483 /nfs/dbraw/zinc/56/24/83/644562483.db2.gz PEJSWTAAVOZCAK-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000740874555 644560933 /nfs/dbraw/zinc/56/09/33/644560933.db2.gz PEJSWTAAVOZCAK-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(F)cc1F ZINC000740874659 644561654 /nfs/dbraw/zinc/56/16/54/644561654.db2.gz YXVYSIJMBWMOJA-UHFFFAOYSA-N 1 0 241.325 3.977 20 0 BHADRO CCCCCC[N@H+](C1CC1)C1CCCC1 ZINC000740874680 585107322 /nfs/dbraw/zinc/10/73/22/585107322.db2.gz ALVXIHZJRGAXCR-UHFFFAOYSA-N 1 0 209.377 3.974 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000740874727 644562570 /nfs/dbraw/zinc/56/25/70/644562570.db2.gz FBRGBGKQELGNGF-CYBMUJFWSA-N 1 0 236.359 3.700 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000740874728 644560865 /nfs/dbraw/zinc/56/08/65/644560865.db2.gz FBRGBGKQELGNGF-ZDUSSCGKSA-N 1 0 236.359 3.700 20 0 BHADRO CCCCCC[N@H+](C)C1Cc2ccccc2C1 ZINC000740875049 644560965 /nfs/dbraw/zinc/56/09/65/644560965.db2.gz AIAJQTSBGYCIAS-UHFFFAOYSA-N 1 0 231.383 3.666 20 0 BHADRO CCCCCC[N@H+](Cc1ccccn1)C(C)C ZINC000740875095 644561039 /nfs/dbraw/zinc/56/10/39/644561039.db2.gz DRUVEEGFNMVOGD-UHFFFAOYSA-N 1 0 234.387 3.872 20 0 BHADRO CCCCCC[N@H+](C)CCc1ccc(F)cc1 ZINC000740875217 585107214 /nfs/dbraw/zinc/10/72/14/585107214.db2.gz LLNMPDYZCYSFQL-UHFFFAOYSA-N 1 0 237.362 3.880 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccoc1C ZINC000740875332 644561576 /nfs/dbraw/zinc/56/15/76/644561576.db2.gz TXQCHGYGIIWERF-UHFFFAOYSA-N 1 0 209.333 3.600 20 0 BHADRO CCCCCC[N@H+](CC)CCc1ccccn1 ZINC000740875369 585107624 /nfs/dbraw/zinc/10/76/24/585107624.db2.gz WCBMUXZHXVXQSV-UHFFFAOYSA-N 1 0 234.387 3.526 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)c1ccco1 ZINC000740875577 644560255 /nfs/dbraw/zinc/56/02/55/644560255.db2.gz DFSGBKIQSQZGOM-GFCCVEGCSA-N 1 0 209.333 3.853 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000740875578 644562169 /nfs/dbraw/zinc/56/21/69/644562169.db2.gz DFSGBKIQSQZGOM-LBPRGKRZSA-N 1 0 209.333 3.853 20 0 BHADRO CCCCCC[N@H+](CC)Cc1ccco1 ZINC000740875582 644562375 /nfs/dbraw/zinc/56/23/75/644562375.db2.gz DPJXAFNTULAXDZ-UHFFFAOYSA-N 1 0 209.333 3.682 20 0 BHADRO CCCCCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000740875674 644560292 /nfs/dbraw/zinc/56/02/92/644560292.db2.gz DAYMGWCLWNZGSK-AWEZNQCLSA-N 1 0 241.419 3.582 20 0 BHADRO CCCCCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000740875675 644562084 /nfs/dbraw/zinc/56/20/84/644562084.db2.gz DAYMGWCLWNZGSK-CQSZACIVSA-N 1 0 241.419 3.582 20 0 BHADRO CCCCCC[N@H+](CC)Cc1ccoc1 ZINC000740876016 644560836 /nfs/dbraw/zinc/56/08/36/644560836.db2.gz NAPKPVFFFHCWCH-UHFFFAOYSA-N 1 0 209.333 3.682 20 0 BHADRO CCCCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000740876130 644560592 /nfs/dbraw/zinc/56/05/92/644560592.db2.gz OYSYNNHAGFATBV-UHFFFAOYSA-N 1 0 209.377 3.687 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000740876429 644562597 /nfs/dbraw/zinc/56/25/97/644562597.db2.gz VOAPBNXGSBRPLW-AWEZNQCLSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000740876430 644562384 /nfs/dbraw/zinc/56/23/84/644562384.db2.gz VOAPBNXGSBRPLW-CQSZACIVSA-N 1 0 209.377 3.831 20 0 BHADRO CC(C)([NH2+]CCC(F)(F)F)c1ccc(F)cc1 ZINC000740876817 644562369 /nfs/dbraw/zinc/56/23/69/644562369.db2.gz HYIDIUKUNHMFFM-UHFFFAOYSA-N 1 0 249.251 3.603 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000740877281 644560633 /nfs/dbraw/zinc/56/06/33/644560633.db2.gz KWUFIAPIHGRVQT-CYBMUJFWSA-N 1 0 221.344 3.649 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000740877282 644561263 /nfs/dbraw/zinc/56/12/63/644561263.db2.gz KWUFIAPIHGRVQT-ZDUSSCGKSA-N 1 0 221.344 3.649 20 0 BHADRO CCCCCC[N@H+](C)CCc1ccccc1F ZINC000740877467 644561092 /nfs/dbraw/zinc/56/10/92/644561092.db2.gz PIESOKRWDFNJEA-UHFFFAOYSA-N 1 0 237.362 3.880 20 0 BHADRO CCCCCC[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000740878043 644563657 /nfs/dbraw/zinc/56/36/57/644563657.db2.gz SCWRCPYLASYVBY-HNNXBMFYSA-N 1 0 241.419 3.848 20 0 BHADRO CCCCCC[N@H+](CCC)C[C@H]1CCCCO1 ZINC000740878044 644563605 /nfs/dbraw/zinc/56/36/05/644563605.db2.gz SCWRCPYLASYVBY-OAHLLOKOSA-N 1 0 241.419 3.848 20 0 BHADRO CCCCCC[NH+](CC1CC1)CC1CC1 ZINC000740878112 644563766 /nfs/dbraw/zinc/56/37/66/644563766.db2.gz PTJHFYPOOCGFIK-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO CC(C)c1cnc(C[N@@H+](C(C)C)C2CCC2)o1 ZINC000740886539 585107948 /nfs/dbraw/zinc/10/79/48/585107948.db2.gz SYBOCLWSZAFXAS-UHFFFAOYSA-N 1 0 236.359 3.561 20 0 BHADRO Cc1ccc(OCC[N@@H+](C(C)C)C2CCC2)cc1 ZINC000740886758 585107944 /nfs/dbraw/zinc/10/79/44/585107944.db2.gz YYXYHGFGPKNHDJ-UHFFFAOYSA-N 1 0 247.382 3.637 20 0 BHADRO CCCCCC[NH2+]Cc1nccc2ccccc21 ZINC000740897775 585108075 /nfs/dbraw/zinc/10/80/75/585108075.db2.gz FFKADJSPYOBWJZ-UHFFFAOYSA-N 1 0 242.366 3.905 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1nccc2ccccc21 ZINC000740898368 585108015 /nfs/dbraw/zinc/10/80/15/585108015.db2.gz VAEMFILZUZEGIB-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccccc1N(C)C ZINC000740898688 585107876 /nfs/dbraw/zinc/10/78/76/585107876.db2.gz VNYDKOKVFUURRO-UHFFFAOYSA-N 1 0 248.414 3.669 20 0 BHADRO Clc1cccc(C2([NH2+]Cc3ccoc3)CC2)c1 ZINC000740900303 585107788 /nfs/dbraw/zinc/10/77/88/585107788.db2.gz JNGWHWYXTHWXDS-UHFFFAOYSA-N 1 0 247.725 3.712 20 0 BHADRO CN(C)c1cccc(C[NH+]2CCCCCCC2)c1 ZINC000741753117 585117518 /nfs/dbraw/zinc/11/75/18/585117518.db2.gz NUNHABQUZKLVBH-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO C(C[NH+]1CCCCCCC1)C1CCCC1 ZINC000741773327 585118167 /nfs/dbraw/zinc/11/81/67/585118167.db2.gz SVWOMYGVBZFBKE-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO CC[N@@H+](CCc1ccccn1)CCC1CCCC1 ZINC000741781441 585118390 /nfs/dbraw/zinc/11/83/90/585118390.db2.gz MHUWGMCZYAIRRL-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO C[N@@H+](CCc1ccccc1F)CCC1CCCC1 ZINC000741786203 585119117 /nfs/dbraw/zinc/11/91/17/585119117.db2.gz ZBLUTIRPMLLTNW-UHFFFAOYSA-N 1 0 249.373 3.880 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CCc2cccs2)C1 ZINC000741793330 585119194 /nfs/dbraw/zinc/11/91/94/585119194.db2.gz IWJGOAYLHCDRNQ-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CCc2cccs2)C1 ZINC000741793337 585118980 /nfs/dbraw/zinc/11/89/80/585118980.db2.gz IWJGOAYLHCDRNQ-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCc1cccs1 ZINC000741793338 585119209 /nfs/dbraw/zinc/11/92/09/585119209.db2.gz IWJGOAYLHCDRNQ-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CCc2cccs2)C1 ZINC000741793339 585118922 /nfs/dbraw/zinc/11/89/22/585118922.db2.gz IWJGOAYLHCDRNQ-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CC1(C)CCC[N@H+](CCc2cccs2)CC1 ZINC000741805689 585119387 /nfs/dbraw/zinc/11/93/87/585119387.db2.gz SAURSVMXRIHQLF-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO c1csc(CC[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000741808338 585119827 /nfs/dbraw/zinc/11/98/27/585119827.db2.gz QRQCLMSVSQMNQB-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C/C=C/Cl ZINC000741811281 585119862 /nfs/dbraw/zinc/11/98/62/585119862.db2.gz OEGDICFEKXRMDG-DNGMOHDESA-N 1 0 237.774 3.692 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)C/C=C\Cl ZINC000741811282 585119972 /nfs/dbraw/zinc/11/99/72/585119972.db2.gz OEGDICFEKXRMDG-JKEYDSJLSA-N 1 0 237.774 3.692 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)C/C=C/Cl ZINC000741811283 585119910 /nfs/dbraw/zinc/11/99/10/585119910.db2.gz OEGDICFEKXRMDG-RNVIBTMRSA-N 1 0 237.774 3.692 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)C/C=C\Cl ZINC000741811284 585119779 /nfs/dbraw/zinc/11/97/79/585119779.db2.gz OEGDICFEKXRMDG-YHAOYDPOSA-N 1 0 237.774 3.692 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@H]1c1ccccc1 ZINC000741811291 585119840 /nfs/dbraw/zinc/11/98/40/585119840.db2.gz OLUJPSIWNLKBSY-IVZDOJFNSA-N 1 0 249.785 3.865 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@@H]1c1ccccc1 ZINC000741811292 585119982 /nfs/dbraw/zinc/11/99/82/585119982.db2.gz OLUJPSIWNLKBSY-JHTAHENJSA-N 1 0 249.785 3.865 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@@H]1c1ccccc1 ZINC000741811293 585119959 /nfs/dbraw/zinc/11/99/59/585119959.db2.gz OLUJPSIWNLKBSY-JSHITJIMSA-N 1 0 249.785 3.865 20 0 BHADRO C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@H]1c1ccccc1 ZINC000741811294 585119820 /nfs/dbraw/zinc/11/98/20/585119820.db2.gz OLUJPSIWNLKBSY-UDDXRPRYSA-N 1 0 249.785 3.865 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000742366293 585125145 /nfs/dbraw/zinc/12/51/45/585125145.db2.gz SNEUOEXLWVCXNZ-FMKPAKJESA-N 1 0 231.383 3.958 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000742366514 585125090 /nfs/dbraw/zinc/12/50/90/585125090.db2.gz IDQONXSZLIHCPA-CABCVRRESA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000742366517 585124934 /nfs/dbraw/zinc/12/49/34/585124934.db2.gz IDQONXSZLIHCPA-GJZGRUSLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000742366518 585125167 /nfs/dbraw/zinc/12/51/67/585125167.db2.gz IDQONXSZLIHCPA-HUUCEWRRSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000742366519 585124950 /nfs/dbraw/zinc/12/49/50/585124950.db2.gz IDQONXSZLIHCPA-LSDHHAIUSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1(C)CC1 ZINC000742368448 585125143 /nfs/dbraw/zinc/12/51/43/585125143.db2.gz BHLLDUJARDVWOI-JTQLQIEISA-N 1 0 247.313 3.850 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1(C)CC1 ZINC000742368451 585124981 /nfs/dbraw/zinc/12/49/81/585124981.db2.gz BHLLDUJARDVWOI-SNVBAGLBSA-N 1 0 247.313 3.850 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1nccc2ccccc21 ZINC000742369186 585125047 /nfs/dbraw/zinc/12/50/47/585125047.db2.gz OADKOTUALKURPO-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000742369470 585125210 /nfs/dbraw/zinc/12/52/10/585125210.db2.gz XMYXGXIXGPMDJB-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccoc1C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000742369471 585124948 /nfs/dbraw/zinc/12/49/48/585124948.db2.gz XMYXGXIXGPMDJB-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000742369718 585125113 /nfs/dbraw/zinc/12/51/13/585125113.db2.gz PFTONXZOIQMIIT-GXTWGEPZSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000742369719 585125233 /nfs/dbraw/zinc/12/52/33/585125233.db2.gz PFTONXZOIQMIIT-JSGCOSHPSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000742369720 585125240 /nfs/dbraw/zinc/12/52/40/585125240.db2.gz PFTONXZOIQMIIT-OCCSQVGLSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000742369721 585125027 /nfs/dbraw/zinc/12/50/27/585125027.db2.gz PFTONXZOIQMIIT-TZMCWYRMSA-N 1 0 240.350 3.513 20 0 BHADRO Cc1ccoc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000742369727 585125116 /nfs/dbraw/zinc/12/51/16/585125116.db2.gz PJURJKSAELEPJR-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000742370102 585125046 /nfs/dbraw/zinc/12/50/46/585125046.db2.gz RGSHQQWMKFOYSP-OJLVUWQFSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000742370103 585125183 /nfs/dbraw/zinc/12/51/83/585125183.db2.gz RGSHQQWMKFOYSP-SYAUCNOPSA-N 1 0 229.367 3.568 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000742370288 585125074 /nfs/dbraw/zinc/12/50/74/585125074.db2.gz ZDVOZELVQCHASI-AWEZNQCLSA-N 1 0 231.383 3.742 20 0 BHADRO CCC(C)(C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000742370289 585125271 /nfs/dbraw/zinc/12/52/71/585125271.db2.gz ZDVOZELVQCHASI-CQSZACIVSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000742371812 585125003 /nfs/dbraw/zinc/12/50/03/585125003.db2.gz FGABMBRLQSVSER-LZWOXQAQSA-N 1 0 231.383 3.877 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000742371813 585125234 /nfs/dbraw/zinc/12/52/34/585125234.db2.gz FGABMBRLQSVSER-SQWLQELKSA-N 1 0 231.383 3.877 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1cc(C)cc(C)c1 ZINC000742372779 585125189 /nfs/dbraw/zinc/12/51/89/585125189.db2.gz WGDCFNFKLHIIIU-UHFFFAOYSA-N 1 0 233.399 3.872 20 0 BHADRO COc1c(C)cc(C[NH2+]C(C)(C)C2CC2)cc1C ZINC000742373255 585124962 /nfs/dbraw/zinc/12/49/62/585124962.db2.gz SVZAQDFEOUAORO-UHFFFAOYSA-N 1 0 247.382 3.590 20 0 BHADRO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000742373285 585125165 /nfs/dbraw/zinc/12/51/65/585125165.db2.gz JKYDWGUJBIHMLR-LLVKDONJSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+]Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000742373286 585124963 /nfs/dbraw/zinc/12/49/63/585124963.db2.gz JKYDWGUJBIHMLR-NSHDSACASA-N 1 0 248.370 3.610 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1coc(C2CC2)n1 ZINC000742374326 585125627 /nfs/dbraw/zinc/12/56/27/585125627.db2.gz VIVIKDSEWJFDES-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO Cc1ccccc1C[NH2+]Cc1c(C)cccc1F ZINC000742379979 585125493 /nfs/dbraw/zinc/12/54/93/585125493.db2.gz DNMQFTFCSXVQMN-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(F)c1C[NH2+]Cc1ccc(F)cc1 ZINC000742380173 585125343 /nfs/dbraw/zinc/12/53/43/585125343.db2.gz JFWJLMCEWMSLJR-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CCCCCC1 ZINC000742380726 585125533 /nfs/dbraw/zinc/12/55/33/585125533.db2.gz RMKJRCOCPCOJBZ-UHFFFAOYSA-N 1 0 235.346 3.947 20 0 BHADRO Cc1cccc(F)c1C[NH2+]Cc1cccc(F)c1 ZINC000742380768 585125376 /nfs/dbraw/zinc/12/53/76/585125376.db2.gz KLBYNQHAXXMSEF-UHFFFAOYSA-N 1 0 247.288 3.563 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CCC(C)CC1 ZINC000742381117 585125492 /nfs/dbraw/zinc/12/54/92/585125492.db2.gz XKSKRJNDHJPGMJ-UHFFFAOYSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1ccc(C[NH2+]Cc2c(C)cccc2F)cc1 ZINC000742381144 585125536 /nfs/dbraw/zinc/12/55/36/585125536.db2.gz YQDIEILKBCSARR-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000742381163 585125310 /nfs/dbraw/zinc/12/53/10/585125310.db2.gz ZEMKJDCBKITXKZ-AAEUAGOBSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000742381164 585125626 /nfs/dbraw/zinc/12/56/26/585125626.db2.gz ZEMKJDCBKITXKZ-DGCLKSJQSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000742381165 585125547 /nfs/dbraw/zinc/12/55/47/585125547.db2.gz ZEMKJDCBKITXKZ-WCQYABFASA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000742381166 585125436 /nfs/dbraw/zinc/12/54/36/585125436.db2.gz ZEMKJDCBKITXKZ-YPMHNXCESA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000742381204 585125407 /nfs/dbraw/zinc/12/54/07/585125407.db2.gz WFNGZYLFTYPKBS-AWEZNQCLSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000742381205 585125609 /nfs/dbraw/zinc/12/56/09/585125609.db2.gz WFNGZYLFTYPKBS-CQSZACIVSA-N 1 0 243.350 3.617 20 0 BHADRO Cc1ccc(C[NH2+]Cc2c(C)cccc2F)s1 ZINC000742381439 585125505 /nfs/dbraw/zinc/12/55/05/585125505.db2.gz UFAZKFYWRWSBCO-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1ccsc1C[NH2+]Cc1c(C)cccc1F ZINC000742381486 585125581 /nfs/dbraw/zinc/12/55/81/585125581.db2.gz VQSDMSWVCJSZGQ-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1cccc(C[NH2+]Cc2c(C)cccc2F)c1 ZINC000742381584 585125345 /nfs/dbraw/zinc/12/53/45/585125345.db2.gz YFBAMSRHZWLAFE-UHFFFAOYSA-N 1 0 243.325 3.732 20 0 BHADRO C[C@H](C[NH2+]Cc1ccoc1)Sc1ccccc1 ZINC000742382592 585125520 /nfs/dbraw/zinc/12/55/20/585125520.db2.gz FEHXTIGUQCYXRD-GFCCVEGCSA-N 1 0 247.363 3.550 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccoc1)Sc1ccccc1 ZINC000742382593 585125488 /nfs/dbraw/zinc/12/54/88/585125488.db2.gz FEHXTIGUQCYXRD-LBPRGKRZSA-N 1 0 247.363 3.550 20 0 BHADRO C[C@@H](C[NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000742390852 585125879 /nfs/dbraw/zinc/12/58/79/585125879.db2.gz RKFCYCMPQOBFFF-JTQLQIEISA-N 1 0 239.309 3.601 20 0 BHADRO C[C@H](C[NH2+]C1CCCC1)c1ccc(F)cc1F ZINC000742390853 585125881 /nfs/dbraw/zinc/12/58/81/585125881.db2.gz RKFCYCMPQOBFFF-SNVBAGLBSA-N 1 0 239.309 3.601 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000742725547 585130844 /nfs/dbraw/zinc/13/08/44/585130844.db2.gz VUGPLRNCJCEJOM-CYBMUJFWSA-N 1 0 231.383 3.917 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000742725548 585130732 /nfs/dbraw/zinc/13/07/32/585130732.db2.gz VUGPLRNCJCEJOM-ZDUSSCGKSA-N 1 0 231.383 3.917 20 0 BHADRO CC[N@H+](CCOc1ccc(C)cc1)[C@@H](C)C(C)C ZINC000743271579 585134501 /nfs/dbraw/zinc/13/45/01/585134501.db2.gz BVXLEOHFQQNYKF-HNNXBMFYSA-N 1 0 249.398 3.740 20 0 BHADRO CC[N@H+](C[C@H]1CC1(Cl)Cl)[C@H](C)C(C)C ZINC000743272504 585134445 /nfs/dbraw/zinc/13/44/45/585134445.db2.gz VGHOOIGKPQJCIJ-NXEZZACHSA-N 1 0 238.202 3.547 20 0 BHADRO CC[N@H+](C[C@@H]1CC1(Cl)Cl)[C@@H](C)C(C)C ZINC000743272507 585134486 /nfs/dbraw/zinc/13/44/86/585134486.db2.gz VGHOOIGKPQJCIJ-UWVGGRQHSA-N 1 0 238.202 3.547 20 0 BHADRO CC[N@H+](C[C@H]1CC1(Cl)Cl)[C@@H](C)C(C)C ZINC000743272508 585134180 /nfs/dbraw/zinc/13/41/80/585134180.db2.gz VGHOOIGKPQJCIJ-VHSXEESVSA-N 1 0 238.202 3.547 20 0 BHADRO CC[N@H+](C[C@@H]1CC1(Cl)Cl)[C@H](C)C(C)C ZINC000743272509 585134188 /nfs/dbraw/zinc/13/41/88/585134188.db2.gz VGHOOIGKPQJCIJ-ZJUUUORDSA-N 1 0 238.202 3.547 20 0 BHADRO COC[C@@H](C)[NH2+][C@H](C)c1csc2ccccc12 ZINC000743475059 644567065 /nfs/dbraw/zinc/56/70/65/644567065.db2.gz MGDDHRUZEOXEAI-GHMZBOCLSA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000743475061 644567080 /nfs/dbraw/zinc/56/70/80/644567080.db2.gz MGDDHRUZEOXEAI-MNOVXSKESA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@H](C)[NH2+][C@@H](C)c1csc2ccccc12 ZINC000743475063 644567248 /nfs/dbraw/zinc/56/72/48/644567248.db2.gz MGDDHRUZEOXEAI-QWRGUYRKSA-N 1 0 249.379 3.587 20 0 BHADRO COC[C@H](C)[NH2+][C@H](C)c1csc2ccccc12 ZINC000743475065 644566794 /nfs/dbraw/zinc/56/67/94/644566794.db2.gz MGDDHRUZEOXEAI-WDEREUQCSA-N 1 0 249.379 3.587 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C)c1ccccc1 ZINC000743484690 585137617 /nfs/dbraw/zinc/13/76/17/585137617.db2.gz RSNKPWFJAUWIIC-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccccc1 ZINC000743484691 585137580 /nfs/dbraw/zinc/13/75/80/585137580.db2.gz RSNKPWFJAUWIIC-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1ccc(C2=CC[N@H+](CC3CCC3)CC2)cc1 ZINC000743836036 585140076 /nfs/dbraw/zinc/14/00/76/585140076.db2.gz OCKVNCPHQODZCE-UHFFFAOYSA-N 1 0 241.378 3.884 20 0 BHADRO CCC(C)(C)CC[N@H+](C)Cc1c(C)noc1C ZINC000743840434 585140188 /nfs/dbraw/zinc/14/01/88/585140188.db2.gz LFIQJUTWRVDDAD-UHFFFAOYSA-N 1 0 238.375 3.550 20 0 BHADRO CC(C)[N@H+](CCc1cccs1)CC1CCC1 ZINC000743842594 585140418 /nfs/dbraw/zinc/14/04/18/585140418.db2.gz IAQWJVZSQJAFDF-UHFFFAOYSA-N 1 0 237.412 3.801 20 0 BHADRO C[N@H+](CCC1CC1)C1CCCCCCC1 ZINC000743843474 585140309 /nfs/dbraw/zinc/14/03/09/585140309.db2.gz RKQLCPIWWBLXTH-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CSCCC[N@H+](C)C1CCCCCCC1 ZINC000743843714 585140350 /nfs/dbraw/zinc/14/03/50/585140350.db2.gz RVJNTCPEJZGAOG-UHFFFAOYSA-N 1 0 229.433 3.784 20 0 BHADRO C[N@H+](CC1CCC1)C1CCCCCCC1 ZINC000743843784 585140507 /nfs/dbraw/zinc/14/05/07/585140507.db2.gz VCVJTATUFQLRON-UHFFFAOYSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000743849909 585140857 /nfs/dbraw/zinc/14/08/57/585140857.db2.gz AZEBWXRRYGYBRA-KBPBESRZSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000743849910 585140952 /nfs/dbraw/zinc/14/09/52/585140952.db2.gz AZEBWXRRYGYBRA-KGLIPLIRSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000743849911 585140824 /nfs/dbraw/zinc/14/08/24/585140824.db2.gz AZEBWXRRYGYBRA-UONOGXRCSA-N 1 0 209.377 3.831 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000743849912 585140807 /nfs/dbraw/zinc/14/08/07/585140807.db2.gz AZEBWXRRYGYBRA-ZIAGYGMSSA-N 1 0 209.377 3.831 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000743850311 585140997 /nfs/dbraw/zinc/14/09/97/585140997.db2.gz JFJZJNMNDMSRMQ-CHWSQXEVSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000743850312 585140648 /nfs/dbraw/zinc/14/06/48/585140648.db2.gz JFJZJNMNDMSRMQ-OLZOCXBDSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000743850313 585140834 /nfs/dbraw/zinc/14/08/34/585140834.db2.gz JFJZJNMNDMSRMQ-QWHCGFSZSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000743850314 585140750 /nfs/dbraw/zinc/14/07/50/585140750.db2.gz JFJZJNMNDMSRMQ-STQMWFEESA-N 1 0 248.370 3.563 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1CCCCCCCO ZINC000743851173 585140593 /nfs/dbraw/zinc/14/05/93/585140593.db2.gz MRRGRTAVKFYPPG-HNNXBMFYSA-N 1 0 241.419 3.584 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1CCCCCCCO ZINC000743851174 585140794 /nfs/dbraw/zinc/14/07/94/585140794.db2.gz MRRGRTAVKFYPPG-OAHLLOKOSA-N 1 0 241.419 3.584 20 0 BHADRO c1csc(CC[NH+]2C3CCCC2CCC3)c1 ZINC000743851482 585141008 /nfs/dbraw/zinc/14/10/08/585141008.db2.gz IROBGSRTIWBXSF-UHFFFAOYSA-N 1 0 235.396 3.698 20 0 BHADRO CC(C)C1CC[NH+](CCc2cccs2)CC1 ZINC000743851777 585140933 /nfs/dbraw/zinc/14/09/33/585140933.db2.gz NGJWGQSPLIEHED-UHFFFAOYSA-N 1 0 237.412 3.659 20 0 BHADRO CCCCCC[NH+]1C2CCCC1CCC2 ZINC000743851816 585140632 /nfs/dbraw/zinc/14/06/32/585140632.db2.gz QEGGSVVEBXJFRB-UHFFFAOYSA-N 1 0 209.377 3.974 20 0 BHADRO CC(C)Cc1ccc(C[N@H+](C)C2CCC2)cc1 ZINC000743852907 585141335 /nfs/dbraw/zinc/14/13/35/585141335.db2.gz LIEVWVHYVOFQPM-UHFFFAOYSA-N 1 0 231.383 3.869 20 0 BHADRO Cl/C=C\C[NH+]1CCC(C2CCCC2)CC1 ZINC000743856074 585141289 /nfs/dbraw/zinc/14/12/89/585141289.db2.gz DSAVRCSWUHOEHD-BAQGIRSFSA-N 1 0 227.779 3.641 20 0 BHADRO Cl/C=C/C[NH+]1CCC(C2CCCC2)CC1 ZINC000743856075 585141129 /nfs/dbraw/zinc/14/11/29/585141129.db2.gz DSAVRCSWUHOEHD-FPYGCLRLSA-N 1 0 227.779 3.641 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000743857010 585141329 /nfs/dbraw/zinc/14/13/29/585141329.db2.gz REWTUVPPADAIAF-INIZCTEOSA-N 1 0 249.398 3.622 20 0 BHADRO CCCCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000743857011 585141043 /nfs/dbraw/zinc/14/10/43/585141043.db2.gz REWTUVPPADAIAF-MRXNPFEDSA-N 1 0 249.398 3.622 20 0 BHADRO CCCCCC[N@H+](C)CCc1cccs1 ZINC000743859664 585141429 /nfs/dbraw/zinc/14/14/29/585141429.db2.gz GYIZCPFVZCSFIR-UHFFFAOYSA-N 1 0 225.401 3.803 20 0 BHADRO CCCCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000743860813 585141063 /nfs/dbraw/zinc/14/10/63/585141063.db2.gz VQIWNIGUHPZYDQ-UHFFFAOYSA-N 1 0 237.309 3.841 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCc2cccs2)C1 ZINC000743860862 585141085 /nfs/dbraw/zinc/14/10/85/585141085.db2.gz XVUOHBPDBNDDSJ-AWEZNQCLSA-N 1 0 237.412 3.803 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCc2cccs2)C1 ZINC000743860863 585141367 /nfs/dbraw/zinc/14/13/67/585141367.db2.gz XVUOHBPDBNDDSJ-CQSZACIVSA-N 1 0 237.412 3.803 20 0 BHADRO C(C1CCCCC1)[N@@H+]1CCC2(CCCC2)C1 ZINC000743863019 585141123 /nfs/dbraw/zinc/14/11/23/585141123.db2.gz PGOWKTKXYWCTFR-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO C(=C/c1ccccc1)\C[N@@H+]1CCC2(CCCC2)C1 ZINC000743863354 585141317 /nfs/dbraw/zinc/14/13/17/585141317.db2.gz GUYJDEJBCWHRPN-RMKNXTFCSA-N 1 0 241.378 3.966 20 0 BHADRO C(=C\c1ccccc1)\C[N@@H+]1CCC2(CCCC2)C1 ZINC000743863356 585141501 /nfs/dbraw/zinc/14/15/01/585141501.db2.gz GUYJDEJBCWHRPN-TWGQIWQCSA-N 1 0 241.378 3.966 20 0 BHADRO Cc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000743863417 585141045 /nfs/dbraw/zinc/14/10/45/585141045.db2.gz JQNCEIRXHIFDQJ-UHFFFAOYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743863690 585141387 /nfs/dbraw/zinc/14/13/87/585141387.db2.gz LMTAKWFAFAGRMU-UHFFFAOYSA-N 1 0 229.367 3.761 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000743863695 585141242 /nfs/dbraw/zinc/14/12/42/585141242.db2.gz LVMPHTYLGICWMA-UHFFFAOYSA-N 1 0 209.377 3.689 20 0 BHADRO Cc1ccccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743863965 585141273 /nfs/dbraw/zinc/14/12/73/585141273.db2.gz FMNHGOKEHNSTMI-UHFFFAOYSA-N 1 0 229.367 3.761 20 0 BHADRO Fc1ccccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743864060 585141476 /nfs/dbraw/zinc/14/14/76/585141476.db2.gz UBHOBRWUEJQAMC-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO Fc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743864136 585141293 /nfs/dbraw/zinc/14/12/93/585141293.db2.gz XGFYGPAPLOSYBP-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCC3(CCCC3)C2)o1 ZINC000743864440 585141436 /nfs/dbraw/zinc/14/14/36/585141436.db2.gz JUCRNTMEDPEMCR-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO c1ccc(CCC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743864505 585141356 /nfs/dbraw/zinc/14/13/56/585141356.db2.gz MWTYHCTVUWBNBP-UHFFFAOYSA-N 1 0 243.394 3.885 20 0 BHADRO CCCCCC[N@@H+]1CCC2(CCCC2)C1 ZINC000743864530 585141143 /nfs/dbraw/zinc/14/11/43/585141143.db2.gz NUUIPJJMTHHCOF-UHFFFAOYSA-N 1 0 209.377 3.833 20 0 BHADRO Fc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000743864936 585141758 /nfs/dbraw/zinc/14/17/58/585141758.db2.gz VVMVBYAKFCRVDN-UHFFFAOYSA-N 1 0 233.330 3.592 20 0 BHADRO C(C[N@@H+]1CCC2(CCCC2)C1)C1CCCC1 ZINC000743864975 585141853 /nfs/dbraw/zinc/14/18/53/585141853.db2.gz YKIZWFYEBDGWTR-UHFFFAOYSA-N 1 0 221.388 3.833 20 0 BHADRO CCCCC[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000743866693 585141569 /nfs/dbraw/zinc/14/15/69/585141569.db2.gz KXBZFFUBEULZII-INIZCTEOSA-N 1 0 249.398 3.541 20 0 BHADRO CCCCC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000743866694 585141590 /nfs/dbraw/zinc/14/15/90/585141590.db2.gz KXBZFFUBEULZII-MRXNPFEDSA-N 1 0 249.398 3.541 20 0 BHADRO CCCCCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000743869130 585141819 /nfs/dbraw/zinc/14/18/19/585141819.db2.gz LXAYSZLARXSUKS-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CCCCCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000743869131 585141627 /nfs/dbraw/zinc/14/16/27/585141627.db2.gz LXAYSZLARXSUKS-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CCCCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000743871488 585141552 /nfs/dbraw/zinc/14/15/52/585141552.db2.gz FDTBCVNBPAVEFD-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CCCCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000743871489 585141598 /nfs/dbraw/zinc/14/15/98/585141598.db2.gz FDTBCVNBPAVEFD-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC000743872702 585141785 /nfs/dbraw/zinc/14/17/85/585141785.db2.gz ZTPAEMUUYKBSRR-FZKGZDJFSA-N 1 0 215.768 3.641 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC000743872703 585140936 /nfs/dbraw/zinc/14/09/36/585140936.db2.gz ZTPAEMUUYKBSRR-JECSTDCCSA-N 1 0 215.768 3.641 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC000743872704 585140597 /nfs/dbraw/zinc/14/05/97/585140597.db2.gz ZTPAEMUUYKBSRR-VVEJJEBESA-N 1 0 215.768 3.641 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC000743872705 585140722 /nfs/dbraw/zinc/14/07/22/585140722.db2.gz ZTPAEMUUYKBSRR-ZCRIDZFUSA-N 1 0 215.768 3.641 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\Cl)[C@@H](c2ccco2)C1 ZINC000743875286 585141583 /nfs/dbraw/zinc/14/15/83/585141583.db2.gz KSUREXBTVZEVSZ-BCIKPAMSSA-N 1 0 239.746 3.805 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\Cl)[C@H](c2ccco2)C1 ZINC000743875287 585141695 /nfs/dbraw/zinc/14/16/95/585141695.db2.gz KSUREXBTVZEVSZ-FVLQNALFSA-N 1 0 239.746 3.805 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/Cl)[C@@H](c2ccco2)C1 ZINC000743875288 585141678 /nfs/dbraw/zinc/14/16/78/585141678.db2.gz KSUREXBTVZEVSZ-JKNNBXRXSA-N 1 0 239.746 3.805 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/Cl)[C@H](c2ccco2)C1 ZINC000743875289 585141642 /nfs/dbraw/zinc/14/16/42/585141642.db2.gz KSUREXBTVZEVSZ-ZBWCZXCSSA-N 1 0 239.746 3.805 20 0 BHADRO CC[N@H+](CCc1ccccn1)CCC(C)(C)CC ZINC000744389317 585150060 /nfs/dbraw/zinc/15/00/60/585150060.db2.gz DMPOXICRFKBIQX-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO Cc1ccc(CC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000744419775 585150481 /nfs/dbraw/zinc/15/04/81/585150481.db2.gz AMMSIXIAUUEYJQ-UHFFFAOYSA-N 1 0 243.394 3.804 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000745947258 585161739 /nfs/dbraw/zinc/16/17/39/585161739.db2.gz XOFWFPNMYPZJDB-CYBMUJFWSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000745947259 585161518 /nfs/dbraw/zinc/16/15/18/585161518.db2.gz XOFWFPNMYPZJDB-ZDUSSCGKSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)=CC[N@H+](CCc1ccccc1)C1CC1 ZINC000746119526 585163381 /nfs/dbraw/zinc/16/33/81/585163381.db2.gz YLYBQQOWKNFPBG-UHFFFAOYSA-N 1 0 229.367 3.660 20 0 BHADRO CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000746143014 585163805 /nfs/dbraw/zinc/16/38/05/585163805.db2.gz IZTOQRIHOUWCJF-UHFFFAOYSA-N 1 0 235.346 3.980 20 0 BHADRO CC(C)C[N@H+](CCc1cccs1)C(C)C ZINC000746167226 585164429 /nfs/dbraw/zinc/16/44/29/585164429.db2.gz CJCSYOZNNVDBGR-UHFFFAOYSA-N 1 0 225.401 3.657 20 0 BHADRO c1csc(CC[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000746456630 585168493 /nfs/dbraw/zinc/16/84/93/585168493.db2.gz BTYAPRLIMFHPNS-HNNXBMFYSA-N 1 0 243.375 3.738 20 0 BHADRO c1csc(CC[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000746456637 585168468 /nfs/dbraw/zinc/16/84/68/585168468.db2.gz BTYAPRLIMFHPNS-OAHLLOKOSA-N 1 0 243.375 3.738 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCCC2)nc1 ZINC000746469368 585168508 /nfs/dbraw/zinc/16/85/08/585168508.db2.gz LHCDGFYIHYPVQC-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1ccncc1C[N@@H+](C)C1CCCCCCC1 ZINC000746469848 585168331 /nfs/dbraw/zinc/16/83/31/585168331.db2.gz OCZSGMGDBQDCPZ-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ncc(C(C)C)o1 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/nfs/dbraw/zinc/16/90/94/585169094.db2.gz MINWVDGTWNDHFV-UHFFFAOYSA-N 1 0 235.346 3.791 20 0 BHADRO C[N@H+](CCF)Cc1ccccc1-c1ccccc1 ZINC000746503349 585169227 /nfs/dbraw/zinc/16/92/27/585169227.db2.gz ZHZLYKBJQUSONZ-UHFFFAOYSA-N 1 0 243.325 3.755 20 0 BHADRO c1ccc(CC[N@H+](CC2CCCC2)C2CC2)cc1 ZINC000746650999 585171550 /nfs/dbraw/zinc/17/15/50/585171550.db2.gz GZDYWNBLXIRMRH-UHFFFAOYSA-N 1 0 243.394 3.884 20 0 BHADRO Cc1ccccc1C[N@H+](C/C=C/Cl)C1CC1 ZINC000746651191 585171398 /nfs/dbraw/zinc/17/13/98/585171398.db2.gz PKBOGBNWDYCYAB-RUDMXATFSA-N 1 0 235.758 3.712 20 0 BHADRO Cc1ccccc1C[N@H+](C/C=C\Cl)C1CC1 ZINC000746651195 585171585 /nfs/dbraw/zinc/17/15/85/585171585.db2.gz PKBOGBNWDYCYAB-WTKPLQERSA-N 1 0 235.758 3.712 20 0 BHADRO CC[N@H+](C/C=C\Cl)Cc1ccc(Cl)cc1 ZINC000746651770 585171700 /nfs/dbraw/zinc/17/17/00/585171700.db2.gz KLOYGMJFLFRZRC-BAQGIRSFSA-N 1 0 244.165 3.914 20 0 BHADRO CC[N@H+](C/C=C/Cl)Cc1ccc(Cl)cc1 ZINC000746651771 585171662 /nfs/dbraw/zinc/17/16/62/585171662.db2.gz KLOYGMJFLFRZRC-FPYGCLRLSA-N 1 0 244.165 3.914 20 0 BHADRO CC[N@H+](C/C=C/Cl)Cc1ccc(C)cc1 ZINC000746653307 585171697 /nfs/dbraw/zinc/17/16/97/585171697.db2.gz SQQOEFNBWXKGIX-RUDMXATFSA-N 1 0 223.747 3.569 20 0 BHADRO CC[N@H+](C/C=C\Cl)Cc1ccc(C)cc1 ZINC000746653329 585171518 /nfs/dbraw/zinc/17/15/18/585171518.db2.gz SQQOEFNBWXKGIX-WTKPLQERSA-N 1 0 223.747 3.569 20 0 BHADRO CC(C)[N@H+](C/C=C\Cl)Cc1ccc(F)cc1 ZINC000746653357 585171491 /nfs/dbraw/zinc/17/14/91/585171491.db2.gz TVTIITOQAGHWDE-BAQGIRSFSA-N 1 0 241.737 3.789 20 0 BHADRO CC(C)[N@H+](C/C=C/Cl)Cc1ccc(F)cc1 ZINC000746653359 585171628 /nfs/dbraw/zinc/17/16/28/585171628.db2.gz TVTIITOQAGHWDE-FPYGCLRLSA-N 1 0 241.737 3.789 20 0 BHADRO CCC[N@H+](C/C=C\Cl)Cc1ccc(F)cc1 ZINC000746654342 585171666 /nfs/dbraw/zinc/17/16/66/585171666.db2.gz ZXHRYQCEDPSLPC-BAQGIRSFSA-N 1 0 241.737 3.790 20 0 BHADRO CCC[N@H+](C/C=C/Cl)Cc1ccc(F)cc1 ZINC000746654343 585171624 /nfs/dbraw/zinc/17/16/24/585171624.db2.gz ZXHRYQCEDPSLPC-FPYGCLRLSA-N 1 0 241.737 3.790 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@@H]1CC1(Cl)Cl ZINC000746654348 585171424 /nfs/dbraw/zinc/17/14/24/585171424.db2.gz ZYJSEQSEZYOWMC-JTQLQIEISA-N 1 0 238.202 3.548 20 0 BHADRO CCC[N@H+](CC(C)C)C[C@H]1CC1(Cl)Cl ZINC000746654349 585171396 /nfs/dbraw/zinc/17/13/96/585171396.db2.gz ZYJSEQSEZYOWMC-SNVBAGLBSA-N 1 0 238.202 3.548 20 0 BHADRO CC(C)C[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000746656821 585171832 /nfs/dbraw/zinc/17/18/32/585171832.db2.gz ANOFZHIEPPZKGW-RMKNXTFCSA-N 1 0 237.774 3.897 20 0 BHADRO CC(C)C[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000746656830 585171730 /nfs/dbraw/zinc/17/17/30/585171730.db2.gz ANOFZHIEPPZKGW-TWGQIWQCSA-N 1 0 237.774 3.897 20 0 BHADRO CC(C)C[N@H+](C/C=C/Cl)C1CCCC1 ZINC000746656907 585171949 /nfs/dbraw/zinc/17/19/49/585171949.db2.gz BGAGBZAYWYTGCG-VMPITWQZSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)C[N@H+](C/C=C\Cl)C1CCCC1 ZINC000746656911 585171814 /nfs/dbraw/zinc/17/18/14/585171814.db2.gz BGAGBZAYWYTGCG-YVMONPNESA-N 1 0 215.768 3.640 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CCc1cccs1 ZINC000746668891 585171877 /nfs/dbraw/zinc/17/18/77/585171877.db2.gz BRJBUHKIZPPYJA-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CCc1cccs1 ZINC000746668897 585172141 /nfs/dbraw/zinc/17/21/41/585172141.db2.gz BRJBUHKIZPPYJA-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1c2ccccc2C[N@H+]1CCCCCCCO ZINC000746671077 585171782 /nfs/dbraw/zinc/17/17/82/585171782.db2.gz KNAVAEOJNMIVCZ-AWEZNQCLSA-N 1 0 247.382 3.506 20 0 BHADRO C[C@@H]1c2ccccc2C[N@H+]1CCCCCCCO ZINC000746671081 585171829 /nfs/dbraw/zinc/17/18/29/585171829.db2.gz KNAVAEOJNMIVCZ-CQSZACIVSA-N 1 0 247.382 3.506 20 0 BHADRO C[N@H+](Cc1cccc(O)c1)C1CCCCCCC1 ZINC000746710978 585172249 /nfs/dbraw/zinc/17/22/49/585172249.db2.gz QJENSNYDIUNIHR-UHFFFAOYSA-N 1 0 247.382 3.937 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000747112989 585175231 /nfs/dbraw/zinc/17/52/31/585175231.db2.gz PEVVAVHSJUPMTE-JPVGGKMYSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000747112990 585175025 /nfs/dbraw/zinc/17/50/25/585175025.db2.gz PEVVAVHSJUPMTE-XOIDGJRKSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000747112991 585175086 /nfs/dbraw/zinc/17/50/86/585175086.db2.gz PEVVAVHSJUPMTE-ZRQQLDRUSA-N 1 0 215.768 3.640 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000747352409 585178339 /nfs/dbraw/zinc/17/83/39/585178339.db2.gz BVEAHBCDRWEASA-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000747352411 585178286 /nfs/dbraw/zinc/17/82/86/585178286.db2.gz BVEAHBCDRWEASA-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C/C=C/Cl ZINC000747532496 585180218 /nfs/dbraw/zinc/18/02/18/585180218.db2.gz YVKYFDRTOPIHLV-IVZDOJFNSA-N 1 0 249.785 3.692 20 0 BHADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C/C=C/Cl ZINC000747532497 585180351 /nfs/dbraw/zinc/18/03/51/585180351.db2.gz YVKYFDRTOPIHLV-JHTAHENJSA-N 1 0 249.785 3.692 20 0 BHADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C/C=C\Cl ZINC000747532498 585180556 /nfs/dbraw/zinc/18/05/56/585180556.db2.gz YVKYFDRTOPIHLV-JSHITJIMSA-N 1 0 249.785 3.692 20 0 BHADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C/C=C\Cl ZINC000747532500 585180374 /nfs/dbraw/zinc/18/03/74/585180374.db2.gz YVKYFDRTOPIHLV-UDDXRPRYSA-N 1 0 249.785 3.692 20 0 BHADRO Cc1ccncc1C[NH+]1CCC(CC(C)C)CC1 ZINC000747656026 585181904 /nfs/dbraw/zinc/18/19/04/585181904.db2.gz HHZSJEJTGYPPHO-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccc(C[NH+]2CCC(CC(C)C)CC2)nc1 ZINC000747661706 585181795 /nfs/dbraw/zinc/18/17/95/585181795.db2.gz ZRVWJNFIADPYCS-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C1(C)CC1 ZINC000747912736 585185611 /nfs/dbraw/zinc/18/56/11/585185611.db2.gz JOOJCIMLLFKCNM-AAOUONPWSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C1(C)CC1 ZINC000747912737 585185548 /nfs/dbraw/zinc/18/55/48/585185548.db2.gz JOOJCIMLLFKCNM-MVZIDQBPSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C1(C)CC1 ZINC000747912739 585185769 /nfs/dbraw/zinc/18/57/69/585185769.db2.gz JOOJCIMLLFKCNM-PCAWENJQSA-N 1 0 233.330 3.617 20 0 BHADRO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C1(C)CC1 ZINC000747912740 585185623 /nfs/dbraw/zinc/18/56/23/585185623.db2.gz JOOJCIMLLFKCNM-VSQXVHSFSA-N 1 0 233.330 3.617 20 0 BHADRO C[N@H+](CCOC(C)(C)C)C1CCCCCCC1 ZINC000748803115 585196591 /nfs/dbraw/zinc/19/65/91/585196591.db2.gz PTBMYSRLQQPXFO-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO C[N@H+](CCc1ccncc1)C1CCCCCCC1 ZINC000748804784 585196687 /nfs/dbraw/zinc/19/66/87/585196687.db2.gz ATBVRNLJPGGPHC-UHFFFAOYSA-N 1 0 246.398 3.669 20 0 BHADRO CC(C)=CC[N@@H+](C)C1CCCCCCC1 ZINC000748804827 585196812 /nfs/dbraw/zinc/19/68/12/585196812.db2.gz CMTXGTRZZGMQNX-UHFFFAOYSA-N 1 0 209.377 3.997 20 0 BHADRO C[N@H+](C[C@@H]1CCCCO1)C1CCCCCCC1 ZINC000748805633 585196471 /nfs/dbraw/zinc/19/64/71/585196471.db2.gz NKKJNTQRUQAAFQ-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](C[C@H]1CCCCO1)C1CCCCCCC1 ZINC000748805634 585196584 /nfs/dbraw/zinc/19/65/84/585196584.db2.gz NKKJNTQRUQAAFQ-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCCCCCC2)on1 ZINC000748806153 585196713 /nfs/dbraw/zinc/19/67/13/585196713.db2.gz RIORVUWNLUDVSV-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC000748828177 585196857 /nfs/dbraw/zinc/19/68/57/585196857.db2.gz DKDSQIMUBVFOGR-GFCCVEGCSA-N 1 0 238.375 3.666 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC000748828179 585197047 /nfs/dbraw/zinc/19/70/47/585197047.db2.gz DKDSQIMUBVFOGR-LBPRGKRZSA-N 1 0 238.375 3.666 20 0 BHADRO CCCC[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000748831656 585197090 /nfs/dbraw/zinc/19/70/90/585197090.db2.gz ASPWKUCOTPUISX-AWEZNQCLSA-N 1 0 217.356 3.870 20 0 BHADRO CCCC[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000748831658 585196916 /nfs/dbraw/zinc/19/69/16/585196916.db2.gz ASPWKUCOTPUISX-CQSZACIVSA-N 1 0 217.356 3.870 20 0 BHADRO C[N@H+](C/C=C/Cl)C1CCCCCCC1 ZINC000748982601 585197805 /nfs/dbraw/zinc/19/78/05/585197805.db2.gz MCIVGPABWLSVOJ-JXMROGBWSA-N 1 0 215.768 3.784 20 0 BHADRO C[N@H+](C/C=C\Cl)C1CCCCCCC1 ZINC000748982616 585197760 /nfs/dbraw/zinc/19/77/60/585197760.db2.gz MCIVGPABWLSVOJ-YFHOEESVSA-N 1 0 215.768 3.784 20 0 BHADRO CCCCOCC[N@H+](C)C1CCCCCCC1 ZINC000748982904 585197782 /nfs/dbraw/zinc/19/77/82/585197782.db2.gz SZMQIXZNJWCWFN-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000749114079 585199767 /nfs/dbraw/zinc/19/97/67/585199767.db2.gz AJAALXRYJSEQFR-NXEZZACHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000749114089 585199482 /nfs/dbraw/zinc/19/94/82/585199482.db2.gz AJAALXRYJSEQFR-UWVGGRQHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000749114090 585199641 /nfs/dbraw/zinc/19/96/41/585199641.db2.gz AJAALXRYJSEQFR-VHSXEESVSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000749114091 585199635 /nfs/dbraw/zinc/19/96/35/585199635.db2.gz AJAALXRYJSEQFR-ZJUUUORDSA-N 1 0 238.202 3.548 20 0 BHADRO CCC1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC000749117462 585199637 /nfs/dbraw/zinc/19/96/37/585199637.db2.gz SPFSDNUFKGUFGV-RUDMXATFSA-N 1 0 215.768 3.640 20 0 BHADRO CCC1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC000749117463 585199685 /nfs/dbraw/zinc/19/96/85/585199685.db2.gz SPFSDNUFKGUFGV-WTKPLQERSA-N 1 0 215.768 3.640 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000749128832 644589668 /nfs/dbraw/zinc/58/96/68/644589668.db2.gz MIGIEKWTJANZCH-JQFCIGGWSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000749128859 644589977 /nfs/dbraw/zinc/58/99/77/644589977.db2.gz MIGIEKWTJANZCH-RRQGHBQHSA-N 1 0 243.394 3.786 20 0 BHADRO Clc1ccccc1SCC[NH+]1CCCC1 ZINC000749365016 585201502 /nfs/dbraw/zinc/20/15/02/585201502.db2.gz VCUVHOSKGHSYQY-UHFFFAOYSA-N 1 0 241.787 3.528 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC000749435452 636060896 /nfs/dbraw/zinc/06/08/96/636060896.db2.gz ABYXCRAOGDKHHH-CHWSQXEVSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC000749435470 636061094 /nfs/dbraw/zinc/06/10/94/636061094.db2.gz ABYXCRAOGDKHHH-OLZOCXBDSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CCC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC000749435474 636061544 /nfs/dbraw/zinc/06/15/44/636061544.db2.gz ABYXCRAOGDKHHH-QWHCGFSZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CCC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC000749435480 636061882 /nfs/dbraw/zinc/06/18/82/636061882.db2.gz ABYXCRAOGDKHHH-STQMWFEESA-N 1 0 237.412 3.801 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000749435523 585202413 /nfs/dbraw/zinc/20/24/13/585202413.db2.gz BPBMTSPKLXGZOW-GFCCVEGCSA-N 1 0 223.385 3.555 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000749435525 585202309 /nfs/dbraw/zinc/20/23/09/585202309.db2.gz BPBMTSPKLXGZOW-LBPRGKRZSA-N 1 0 223.385 3.555 20 0 BHADRO CC1CCC([N@H+](C)CCc2cccs2)CC1 ZINC000749435602 585202566 /nfs/dbraw/zinc/20/25/66/585202566.db2.gz FADVZJGHHSJKGO-UHFFFAOYSA-N 1 0 237.412 3.801 20 0 BHADRO c1csc(CC[NH+]2CCCCCCC2)c1 ZINC000749435679 585202067 /nfs/dbraw/zinc/20/20/67/585202067.db2.gz GSDJPLTZMBPKPZ-UHFFFAOYSA-N 1 0 223.385 3.557 20 0 BHADRO C[C@@H]([N@H+](C)CCc1cccs1)C(C)(C)C ZINC000749435711 585202536 /nfs/dbraw/zinc/20/25/36/585202536.db2.gz HXLDWSGMVFDJGM-LLVKDONJSA-N 1 0 225.401 3.657 20 0 BHADRO C[C@H]([N@H+](C)CCc1cccs1)C(C)(C)C ZINC000749435751 585202347 /nfs/dbraw/zinc/20/23/47/585202347.db2.gz HXLDWSGMVFDJGM-NSHDSACASA-N 1 0 225.401 3.657 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)CCc1cccs1 ZINC000749436590 585202426 /nfs/dbraw/zinc/20/24/26/585202426.db2.gz NMNRWTLWBYNCOH-GXTWGEPZSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCc1cccs1 ZINC000749436594 585202178 /nfs/dbraw/zinc/20/21/78/585202178.db2.gz NMNRWTLWBYNCOH-JSGCOSHPSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1cccs1 ZINC000749436595 585202120 /nfs/dbraw/zinc/20/21/20/585202120.db2.gz NMNRWTLWBYNCOH-OCCSQVGLSA-N 1 0 237.412 3.801 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCc1cccs1 ZINC000749436597 585202173 /nfs/dbraw/zinc/20/21/73/585202173.db2.gz NMNRWTLWBYNCOH-TZMCWYRMSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)CC[N@H+](CCc1cccs1)C1CC1 ZINC000749437260 585202382 /nfs/dbraw/zinc/20/23/82/585202382.db2.gz WRVDOCZQTFKEMV-UHFFFAOYSA-N 1 0 237.412 3.801 20 0 BHADRO C[N@H+](CCc1cccs1)C1CCCCCC1 ZINC000749437458 585202529 /nfs/dbraw/zinc/20/25/29/585202529.db2.gz ZMWJMMLWWKZWEN-UHFFFAOYSA-N 1 0 237.412 3.945 20 0 BHADRO CCC(CC)[N@H+](CCc1cccs1)C1CC1 ZINC000749440212 585202287 /nfs/dbraw/zinc/20/22/87/585202287.db2.gz ADXUVAJBIYDGNT-UHFFFAOYSA-N 1 0 237.412 3.944 20 0 BHADRO c1csc(CC[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000749440223 585202368 /nfs/dbraw/zinc/20/23/68/585202368.db2.gz ASEDDRSMDOYUBN-HNNXBMFYSA-N 1 0 249.423 3.945 20 0 BHADRO c1csc(CC[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000749440224 585202392 /nfs/dbraw/zinc/20/23/92/585202392.db2.gz ASEDDRSMDOYUBN-OAHLLOKOSA-N 1 0 249.423 3.945 20 0 BHADRO CCCC[N@H+](CCc1cccs1)C1CC1 ZINC000749440609 585202564 /nfs/dbraw/zinc/20/25/64/585202564.db2.gz HPERYRQHSHWMDW-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000749440930 585202506 /nfs/dbraw/zinc/20/25/06/585202506.db2.gz MATRPCGFNVTPER-INIZCTEOSA-N 1 0 229.367 3.938 20 0 BHADRO CCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000749440935 585202441 /nfs/dbraw/zinc/20/24/41/585202441.db2.gz MATRPCGFNVTPER-MRXNPFEDSA-N 1 0 229.367 3.938 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000749441906 585202561 /nfs/dbraw/zinc/20/25/61/585202561.db2.gz MLTPASGMWPLHAU-CYBMUJFWSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000749441907 585202438 /nfs/dbraw/zinc/20/24/38/585202438.db2.gz MLTPASGMWPLHAU-ZDUSSCGKSA-N 1 0 237.412 3.801 20 0 BHADRO CC(C)[N@H+](CCc1cccs1)Cc1ccco1 ZINC000749442191 585202549 /nfs/dbraw/zinc/20/25/49/585202549.db2.gz SKKHUVFEQBVUPB-UHFFFAOYSA-N 1 0 249.379 3.794 20 0 BHADRO COCc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000749515947 585203510 /nfs/dbraw/zinc/20/35/10/585203510.db2.gz ZMANQWBAEHWMHA-UHFFFAOYSA-N 1 0 247.382 3.599 20 0 BHADRO CCOc1ccc(C[NH2+]C2[C@H](C)CC[C@H]2C)cc1 ZINC000749922959 585208278 /nfs/dbraw/zinc/20/82/78/585208278.db2.gz GBLSKLCEYSLFHH-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)cc1 ZINC000749922963 585208254 /nfs/dbraw/zinc/20/82/54/585208254.db2.gz GBLSKLCEYSLFHH-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1ccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)cc1 ZINC000749922964 585208354 /nfs/dbraw/zinc/20/83/54/585208354.db2.gz GBLSKLCEYSLFHH-VIKVFOODSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000749923413 585208319 /nfs/dbraw/zinc/20/83/19/585208319.db2.gz JCAJTOLGTZIXFN-ATCWAGBWSA-N 1 0 242.366 3.692 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1cccc2[nH]ccc21 ZINC000749923415 585208283 /nfs/dbraw/zinc/20/82/83/585208283.db2.gz JCAJTOLGTZIXFN-RYUDHWBXSA-N 1 0 242.366 3.692 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1cccc2[nH]ccc21 ZINC000749923424 585208178 /nfs/dbraw/zinc/20/81/78/585208178.db2.gz JCAJTOLGTZIXFN-VXGBXAGGSA-N 1 0 242.366 3.692 20 0 BHADRO CCOc1cccc(C[NH2+]C2[C@H](C)CC[C@H]2C)c1 ZINC000749924800 583619494 /nfs/dbraw/zinc/61/94/94/583619494.db2.gz SLVZHENCMGZOHJ-CHWSQXEVSA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)c1 ZINC000749924801 583619702 /nfs/dbraw/zinc/61/97/02/583619702.db2.gz SLVZHENCMGZOHJ-STQMWFEESA-N 1 0 247.382 3.610 20 0 BHADRO CCOc1cccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c1 ZINC000749924888 583620071 /nfs/dbraw/zinc/62/00/71/583620071.db2.gz SLVZHENCMGZOHJ-VIKVFOODSA-N 1 0 247.382 3.610 20 0 BHADRO C[C@@H]1CC[C@H](C)C1[NH2+]C/C=C\c1ccccc1 ZINC000749925523 585208471 /nfs/dbraw/zinc/20/84/71/585208471.db2.gz XLVXRXXFKBQVJK-FDZHUFOGSA-N 1 0 229.367 3.724 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]C/C=C\c1ccccc1 ZINC000749925528 585208550 /nfs/dbraw/zinc/20/85/50/585208550.db2.gz XLVXRXXFKBQVJK-MVUUYHCISA-N 1 0 229.367 3.724 20 0 BHADRO C[C@@H]1CC[C@H](C)C1[NH2+]C/C=C/c1ccccc1 ZINC000749925530 585208434 /nfs/dbraw/zinc/20/84/34/585208434.db2.gz XLVXRXXFKBQVJK-OOHALKHHSA-N 1 0 229.367 3.724 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]C/C=C/c1ccccc1 ZINC000749925531 585208614 /nfs/dbraw/zinc/20/86/14/585208614.db2.gz XLVXRXXFKBQVJK-VAIDBEGPSA-N 1 0 229.367 3.724 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1[C@H](C)CC[C@H]1C ZINC000749925619 585208419 /nfs/dbraw/zinc/20/84/19/585208419.db2.gz YZEFXPPCYUHBTM-CHWSQXEVSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000749925620 585208447 /nfs/dbraw/zinc/20/84/47/585208447.db2.gz YZEFXPPCYUHBTM-STQMWFEESA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000749925621 585208647 /nfs/dbraw/zinc/20/86/47/585208647.db2.gz YZEFXPPCYUHBTM-VIKVFOODSA-N 1 0 247.382 3.528 20 0 BHADRO CC(C)[N@H+](Cc1cnc(Cl)s1)C1CCC1 ZINC000750609939 585217784 /nfs/dbraw/zinc/21/77/84/585217784.db2.gz WYUBFGWDTDRABR-UHFFFAOYSA-N 1 0 244.791 3.559 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000751483510 585231284 /nfs/dbraw/zinc/23/12/84/585231284.db2.gz SEUULUMFAKVOEV-HNNXBMFYSA-N 1 0 232.371 3.799 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000751483697 585231273 /nfs/dbraw/zinc/23/12/73/585231273.db2.gz SEUULUMFAKVOEV-OAHLLOKOSA-N 1 0 232.371 3.799 20 0 BHADRO CCc1ccc(C(C)(C)[NH2+]Cc2ccoc2)cc1 ZINC000751509536 585231282 /nfs/dbraw/zinc/23/12/82/585231282.db2.gz KTRFXKUBLMKJMC-UHFFFAOYSA-N 1 0 243.350 3.867 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2)ccc1F ZINC000751510878 585231521 /nfs/dbraw/zinc/23/15/21/585231521.db2.gz XCYTVJSVXBIBQH-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc([C@H](C)[NH2+]Cc2ccoc2)ccc1F ZINC000751510879 585231271 /nfs/dbraw/zinc/23/12/71/585231271.db2.gz XCYTVJSVXBIBQH-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO CCC1(C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000751990671 585240429 /nfs/dbraw/zinc/24/04/29/585240429.db2.gz FFSJXZFRUVMEDL-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC1(C[NH2+]Cc2nccc3ccccc32)CCC1 ZINC000751991031 585240402 /nfs/dbraw/zinc/24/04/02/585240402.db2.gz KUZFWXYYRWVYLM-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000752064588 585241299 /nfs/dbraw/zinc/24/12/99/585241299.db2.gz GYTDJNRYDYXGLT-KBPBESRZSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)c1cccc(F)c1 ZINC000752064589 585241270 /nfs/dbraw/zinc/24/12/70/585241270.db2.gz GYTDJNRYDYXGLT-KGLIPLIRSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000752064590 585241189 /nfs/dbraw/zinc/24/11/89/585241189.db2.gz GYTDJNRYDYXGLT-UONOGXRCSA-N 1 0 247.357 3.875 20 0 BHADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000752064591 585241345 /nfs/dbraw/zinc/24/13/45/585241345.db2.gz GYTDJNRYDYXGLT-ZIAGYGMSSA-N 1 0 247.357 3.875 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccn1 ZINC000752079821 585241466 /nfs/dbraw/zinc/24/14/66/585241466.db2.gz MYTMLAJXQCXFLF-GDBMZVCRSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccn1 ZINC000752079831 585241565 /nfs/dbraw/zinc/24/15/65/585241565.db2.gz MYTMLAJXQCXFLF-GOEBONIOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccn1 ZINC000752079832 585241602 /nfs/dbraw/zinc/24/16/02/585241602.db2.gz MYTMLAJXQCXFLF-HOCLYGCPSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccn1 ZINC000752079835 585241429 /nfs/dbraw/zinc/24/14/29/585241429.db2.gz MYTMLAJXQCXFLF-ZBFHGGJFSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCCCC1)c1ccccn1 ZINC000752080675 585241615 /nfs/dbraw/zinc/24/16/15/585241615.db2.gz XQYRGFXIHSOOPO-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCCCC1)c1ccccn1 ZINC000752080676 585241389 /nfs/dbraw/zinc/24/13/89/585241389.db2.gz XQYRGFXIHSOOPO-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000752085728 585241408 /nfs/dbraw/zinc/24/14/08/585241408.db2.gz DYISWCDUHFKVKW-CYBMUJFWSA-N 1 0 233.330 3.580 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C[C@H]1CC=CCC1 ZINC000752085735 585241387 /nfs/dbraw/zinc/24/13/87/585241387.db2.gz DYISWCDUHFKVKW-ZDUSSCGKSA-N 1 0 233.330 3.580 20 0 BHADRO Fc1cccc(C2CC[NH+](CC3CCC3)CC2)c1 ZINC000752088989 585241769 /nfs/dbraw/zinc/24/17/69/585241769.db2.gz JOKGZTJICAUCDV-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CC(C)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752089065 585241934 /nfs/dbraw/zinc/24/19/34/585241934.db2.gz KQOJDIIXAOTTDK-UHFFFAOYSA-N 1 0 235.346 3.661 20 0 BHADRO Fc1cccc(C2CC[NH+](CCC3CC3)CC2)c1 ZINC000752091589 585242446 /nfs/dbraw/zinc/24/24/46/585242446.db2.gz BATSFYJZZDIOCE-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1ccc(C2CC[NH+](CC3CCC3)CC2)cc1 ZINC000752092571 585242374 /nfs/dbraw/zinc/24/23/74/585242374.db2.gz DRIACIDFIZFAJP-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1ccc(C2CC[NH+](CCC3CC3)CC2)cc1 ZINC000752093387 585242485 /nfs/dbraw/zinc/24/24/85/585242485.db2.gz LZJKTQQFYWLHPS-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CC(C)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752095024 585242417 /nfs/dbraw/zinc/24/24/17/585242417.db2.gz MYRMPXQFQCHNLV-UHFFFAOYSA-N 1 0 235.346 3.661 20 0 BHADRO C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CCCCCC1 ZINC000752099504 585242520 /nfs/dbraw/zinc/24/25/20/585242520.db2.gz IGKYGOFETCXINK-LSDHHAIUSA-N 1 0 249.398 3.519 20 0 BHADRO CC(C)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000752313037 585244590 /nfs/dbraw/zinc/24/45/90/585244590.db2.gz XDLSTZNUXHELPV-UHFFFAOYSA-N 1 0 241.334 3.713 20 0 BHADRO CCC[N@@H+](Cc1ccc(OC)cc1C)CC1CC1 ZINC000752854361 585250880 /nfs/dbraw/zinc/25/08/80/585250880.db2.gz IJRDPXGUEDGYAU-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CC[N@H+](Cc1ccc(OC)cc1C)C1CCCC1 ZINC000752855388 585250913 /nfs/dbraw/zinc/25/09/13/585250913.db2.gz MKSCSSLATZQNKO-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO COc1ccc(C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000752857353 585250779 /nfs/dbraw/zinc/25/07/79/585250779.db2.gz UKBQFCIFYVRZDP-UHFFFAOYSA-N 1 0 247.382 3.768 20 0 BHADRO Cc1cc(C[NH2+]C2CCC3(CC3)CC2)c(C)o1 ZINC000752922778 585251309 /nfs/dbraw/zinc/25/13/09/585251309.db2.gz NALFEUUMFUUFNM-UHFFFAOYSA-N 1 0 233.355 3.709 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CCC2(CC2)CC1 ZINC000752925509 585251319 /nfs/dbraw/zinc/25/13/19/585251319.db2.gz NGRAUVHOVAIXHL-UHFFFAOYSA-N 1 0 247.357 3.947 20 0 BHADRO CC1(c2ccccc2)CC[NH+](C/C=C/Cl)CC1 ZINC000753199098 583977768 /nfs/dbraw/zinc/97/77/68/583977768.db2.gz BRBZEVOPUZWAEH-BJMVGYQFSA-N 1 0 249.785 3.793 20 0 BHADRO CC1(c2ccccc2)CC[NH+](C/C=C\Cl)CC1 ZINC000753199099 583977508 /nfs/dbraw/zinc/97/75/08/583977508.db2.gz BRBZEVOPUZWAEH-YHYXMXQVSA-N 1 0 249.785 3.793 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@H](C)Cc1ccco1 ZINC000753547250 585261448 /nfs/dbraw/zinc/26/14/48/585261448.db2.gz YHBAQZZBLUDUII-NXEZZACHSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)Cc1ccco1 ZINC000753547251 585261442 /nfs/dbraw/zinc/26/14/42/585261442.db2.gz YHBAQZZBLUDUII-UWVGGRQHSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000753547252 585261331 /nfs/dbraw/zinc/26/13/31/585261331.db2.gz YHBAQZZBLUDUII-VHSXEESVSA-N 1 0 249.276 3.531 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)Cc1ccco1 ZINC000753547253 585261359 /nfs/dbraw/zinc/26/13/59/585261359.db2.gz YHBAQZZBLUDUII-ZJUUUORDSA-N 1 0 249.276 3.531 20 0 BHADRO Cc1cc(C[N@H+](C)C[C@H]2CC=CCC2)c(C)o1 ZINC000753576015 585262315 /nfs/dbraw/zinc/26/23/15/585262315.db2.gz LPUFQLLFTSXLDW-AWEZNQCLSA-N 1 0 233.355 3.685 20 0 BHADRO Cc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c(C)o1 ZINC000753576024 585262218 /nfs/dbraw/zinc/26/22/18/585262218.db2.gz LPUFQLLFTSXLDW-CQSZACIVSA-N 1 0 233.355 3.685 20 0 BHADRO Cc1cccc([C@H]2CC[N@H+](Cc3ccoc3)C2)c1 ZINC000753588168 585263075 /nfs/dbraw/zinc/26/30/75/585263075.db2.gz GPPWZXOOPPLMDY-INIZCTEOSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1cccc([C@@H]2CC[N@H+](Cc3ccoc3)C2)c1 ZINC000753588169 585263135 /nfs/dbraw/zinc/26/31/35/585263135.db2.gz GPPWZXOOPPLMDY-MRXNPFEDSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](Cc3ccoc3)C2)cc1 ZINC000753588917 585262898 /nfs/dbraw/zinc/26/28/98/585262898.db2.gz ISPFZAUTJZWVPS-INIZCTEOSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccoc3)C2)cc1 ZINC000753589056 585263086 /nfs/dbraw/zinc/26/30/86/585263086.db2.gz ISPFZAUTJZWVPS-MRXNPFEDSA-N 1 0 241.334 3.578 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000753608342 585263996 /nfs/dbraw/zinc/26/39/96/585263996.db2.gz BNFUZAYUDBMMQG-CHWSQXEVSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]C2CCCC2)cc1C ZINC000753608347 584897134 /nfs/dbraw/zinc/89/71/34/584897134.db2.gz AAVGZFPNXFAWPB-CYBMUJFWSA-N 1 0 247.382 3.905 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000753608349 585264005 /nfs/dbraw/zinc/26/40/05/585264005.db2.gz BNFUZAYUDBMMQG-OLZOCXBDSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000753608350 585263939 /nfs/dbraw/zinc/26/39/39/585263939.db2.gz BNFUZAYUDBMMQG-QWHCGFSZSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000753608352 585263912 /nfs/dbraw/zinc/26/39/12/585263912.db2.gz BNFUZAYUDBMMQG-STQMWFEESA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C2CCCC2)cc1C ZINC000753608393 584897257 /nfs/dbraw/zinc/89/72/57/584897257.db2.gz AAVGZFPNXFAWPB-ZDUSSCGKSA-N 1 0 247.382 3.905 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]CC(C)C)cc1C ZINC000753608936 585264009 /nfs/dbraw/zinc/26/40/09/585264009.db2.gz HGWOVBBMIITBHX-CYBMUJFWSA-N 1 0 235.371 3.619 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]CC(C)C)cc1C ZINC000753610050 585264033 /nfs/dbraw/zinc/26/40/33/585264033.db2.gz HGWOVBBMIITBHX-ZDUSSCGKSA-N 1 0 235.371 3.619 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753613248 585264188 /nfs/dbraw/zinc/26/41/88/585264188.db2.gz WXZUYPBHLJHZQS-CHWSQXEVSA-N 1 0 235.371 3.761 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753613252 585264269 /nfs/dbraw/zinc/26/42/69/585264269.db2.gz WXZUYPBHLJHZQS-OLZOCXBDSA-N 1 0 235.371 3.761 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753613257 585264184 /nfs/dbraw/zinc/26/41/84/585264184.db2.gz WXZUYPBHLJHZQS-QWHCGFSZSA-N 1 0 235.371 3.761 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753613261 585264241 /nfs/dbraw/zinc/26/42/41/585264241.db2.gz WXZUYPBHLJHZQS-STQMWFEESA-N 1 0 235.371 3.761 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753613619 585264102 /nfs/dbraw/zinc/26/41/02/585264102.db2.gz ZPEHWFLLAVAEIM-CYBMUJFWSA-N 1 0 235.371 3.763 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753613620 585264214 /nfs/dbraw/zinc/26/42/14/585264214.db2.gz ZPEHWFLLAVAEIM-ZDUSSCGKSA-N 1 0 235.371 3.763 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]CC2CCC2)cc1C ZINC000753630506 585265165 /nfs/dbraw/zinc/26/51/65/585265165.db2.gz CHYDODOSXGDKRJ-CYBMUJFWSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]CC2CCC2)cc1C ZINC000753630510 585265158 /nfs/dbraw/zinc/26/51/58/585265158.db2.gz CHYDODOSXGDKRJ-ZDUSSCGKSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1C ZINC000753633064 585265093 /nfs/dbraw/zinc/26/50/93/585265093.db2.gz NCIYOARAQPVUPQ-BPNCWPANSA-N 1 0 247.382 3.619 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1C ZINC000753633066 585265106 /nfs/dbraw/zinc/26/51/06/585265106.db2.gz NCIYOARAQPVUPQ-DDTOSNHZSA-N 1 0 247.382 3.619 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1C ZINC000753633067 585265181 /nfs/dbraw/zinc/26/51/81/585265181.db2.gz NCIYOARAQPVUPQ-LEWSCRJBSA-N 1 0 247.382 3.619 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1C ZINC000753633068 585265147 /nfs/dbraw/zinc/26/51/47/585265147.db2.gz NCIYOARAQPVUPQ-SWHYSGLUSA-N 1 0 247.382 3.619 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]C2CC=CC2)cc1C ZINC000753668412 585266143 /nfs/dbraw/zinc/26/61/43/585266143.db2.gz FVKYOANSOAZUAG-CYBMUJFWSA-N 1 0 245.366 3.681 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C2CC=CC2)cc1C ZINC000753668416 585266059 /nfs/dbraw/zinc/26/60/59/585266059.db2.gz FVKYOANSOAZUAG-ZDUSSCGKSA-N 1 0 245.366 3.681 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccn1 ZINC000753669447 585266099 /nfs/dbraw/zinc/26/60/99/585266099.db2.gz LRKJUMOPCVDNER-DZGCQCFKSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccn1 ZINC000753669468 585266081 /nfs/dbraw/zinc/26/60/81/585266081.db2.gz LRKJUMOPCVDNER-HIFRSBDPSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccn1 ZINC000753669472 584902303 /nfs/dbraw/zinc/90/23/03/584902303.db2.gz LRKJUMOPCVDNER-UKRRQHHQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccn1 ZINC000753669510 584902285 /nfs/dbraw/zinc/90/22/85/584902285.db2.gz LRKJUMOPCVDNER-ZFWWWQNUSA-N 1 0 246.398 3.947 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]C2CCC2)cc1C ZINC000753675639 585266031 /nfs/dbraw/zinc/26/60/31/585266031.db2.gz CIQDTNMRBQJYGF-GFCCVEGCSA-N 1 0 233.355 3.515 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C2CCC2)cc1C ZINC000753675641 585266092 /nfs/dbraw/zinc/26/60/92/585266092.db2.gz CIQDTNMRBQJYGF-LBPRGKRZSA-N 1 0 233.355 3.515 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]CCC2CC2)cc1C ZINC000753680803 585266371 /nfs/dbraw/zinc/26/63/71/585266371.db2.gz BCJFDNOITWREKK-CYBMUJFWSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]CCC2CC2)cc1C ZINC000753680805 585266382 /nfs/dbraw/zinc/26/63/82/585266382.db2.gz BCJFDNOITWREKK-ZDUSSCGKSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]CC2(C)CC2)cc1C ZINC000753681429 585266438 /nfs/dbraw/zinc/26/64/38/585266438.db2.gz GKGZKNFFUJMHKI-CYBMUJFWSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]CC2(C)CC2)cc1C ZINC000753681431 585266190 /nfs/dbraw/zinc/26/61/90/585266190.db2.gz GKGZKNFFUJMHKI-ZDUSSCGKSA-N 1 0 247.382 3.763 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]C2CC(C)C2)cc1C ZINC000753683076 585266355 /nfs/dbraw/zinc/26/63/55/585266355.db2.gz ZZNNPZUKAKVHIZ-AWAWDMARSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]C2CC(C)C2)cc1C ZINC000753683077 585266313 /nfs/dbraw/zinc/26/63/13/585266313.db2.gz ZZNNPZUKAKVHIZ-IWXRYERYSA-N 1 0 247.382 3.761 20 0 BHADRO CCC[N@H+](CCC(=O)CC)Cc1ccc(C)cc1 ZINC000753686263 585266337 /nfs/dbraw/zinc/26/63/37/585266337.db2.gz VDZGAPFQCJEPNG-UHFFFAOYSA-N 1 0 247.382 3.576 20 0 BHADRO CCC(=O)CC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000753704222 585266649 /nfs/dbraw/zinc/26/66/49/585266649.db2.gz APDSFWSOTBAWPX-AWEZNQCLSA-N 1 0 247.382 3.665 20 0 BHADRO CCC(=O)CC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000753704223 585266616 /nfs/dbraw/zinc/26/66/16/585266616.db2.gz APDSFWSOTBAWPX-CQSZACIVSA-N 1 0 247.382 3.665 20 0 BHADRO CC(C)(C)C(=O)CC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000753704613 585266490 /nfs/dbraw/zinc/26/64/90/585266490.db2.gz NJDYQIUPLZFRKH-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)(C)C(=O)CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000753704615 585266628 /nfs/dbraw/zinc/26/66/28/585266628.db2.gz NJDYQIUPLZFRKH-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)[N@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753705491 585266676 /nfs/dbraw/zinc/26/66/76/585266676.db2.gz RNFSEKSGXCCSRY-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO CCC[N@H+](CCC(=O)CC)CC1CCCCC1 ZINC000753706529 585266717 /nfs/dbraw/zinc/26/67/17/585266717.db2.gz XICFFEAVLTZVBY-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CCCC[N@H+](CCC(=O)CC)C1CCCCC1 ZINC000753707964 585266687 /nfs/dbraw/zinc/26/66/87/585266687.db2.gz AWGCMWKGNALSCC-UHFFFAOYSA-N 1 0 239.403 3.790 20 0 BHADRO CCC(=O)CC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000753710063 585266478 /nfs/dbraw/zinc/26/64/78/585266478.db2.gz MZKNGXQKYXSHAL-INIZCTEOSA-N 1 0 247.382 3.829 20 0 BHADRO CCC(=O)CC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000753710065 585266804 /nfs/dbraw/zinc/26/68/04/585266804.db2.gz MZKNGXQKYXSHAL-MRXNPFEDSA-N 1 0 247.382 3.829 20 0 BHADRO CCC(=O)CC[N@@H+](Cc1ccccc1)CC(C)C ZINC000753710071 585266828 /nfs/dbraw/zinc/26/68/28/585266828.db2.gz NDCDGIGOCOIJRS-UHFFFAOYSA-N 1 0 247.382 3.514 20 0 BHADRO CCC(=O)CC[N@H+](CCC(C)C)C1CCCC1 ZINC000753710167 585266888 /nfs/dbraw/zinc/26/68/88/585266888.db2.gz OXQRAUOSQZGLEN-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000753722313 585267113 /nfs/dbraw/zinc/26/71/13/585267113.db2.gz JFQDOVTWKYKLNP-AWEZNQCLSA-N 1 0 239.403 3.646 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000753722315 585267076 /nfs/dbraw/zinc/26/70/76/585267076.db2.gz JFQDOVTWKYKLNP-CQSZACIVSA-N 1 0 239.403 3.646 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753723020 585266943 /nfs/dbraw/zinc/26/69/43/585266943.db2.gz NCSNLMVBSNKKJS-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753723022 585267005 /nfs/dbraw/zinc/26/70/05/585267005.db2.gz NCSNLMVBSNKKJS-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCC(=O)C(C)(C)C ZINC000753723025 585267259 /nfs/dbraw/zinc/26/72/59/585267259.db2.gz NCSNLMVBSNKKJS-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753723028 585267273 /nfs/dbraw/zinc/26/72/73/585267273.db2.gz NCSNLMVBSNKKJS-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000753723274 585267021 /nfs/dbraw/zinc/26/70/21/585267021.db2.gz GJOJKDVFHNUWSM-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(=O)CC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000753723276 585267186 /nfs/dbraw/zinc/26/71/86/585267186.db2.gz GJOJKDVFHNUWSM-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@]1(C)CCC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753734106 585267453 /nfs/dbraw/zinc/26/74/53/585267453.db2.gz SBZKRRJAYMWXSF-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@]1(C)CCC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753734109 585267631 /nfs/dbraw/zinc/26/76/31/585267631.db2.gz SBZKRRJAYMWXSF-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(=O)CC[N@H+](CC(C)C)C(CC)CC ZINC000753734374 585267586 /nfs/dbraw/zinc/26/75/86/585267586.db2.gz WTEFANYJMWODCE-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO CCC(=O)CC[NH+]1CCC(CCC(C)C)CC1 ZINC000753737788 585267610 /nfs/dbraw/zinc/26/76/10/585267610.db2.gz JYZSBLAZDGWUDI-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[N@H+](CCC(=O)C(C)(C)C)C1CCCC1 ZINC000753738122 585267478 /nfs/dbraw/zinc/26/74/78/585267478.db2.gz MZRFOFIXVIZVRI-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000753746569 585268026 /nfs/dbraw/zinc/26/80/26/585268026.db2.gz MAHPSHJYUIJMLD-AWEZNQCLSA-N 1 0 239.403 3.646 20 0 BHADRO CCC(=O)CC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC000753746571 585267012 /nfs/dbraw/zinc/26/70/12/585267012.db2.gz MAHPSHJYUIJMLD-CQSZACIVSA-N 1 0 239.403 3.646 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000753753557 585268052 /nfs/dbraw/zinc/26/80/52/585268052.db2.gz YBJWFFXMEVADAV-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000753753565 585268311 /nfs/dbraw/zinc/26/83/11/585268311.db2.gz YBJWFFXMEVADAV-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000753753568 585268120 /nfs/dbraw/zinc/26/81/20/585268120.db2.gz YBJWFFXMEVADAV-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000753753572 585268148 /nfs/dbraw/zinc/26/81/48/585268148.db2.gz YBJWFFXMEVADAV-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCC1CCC([N@H+](C)CCC(=O)CC)CC1 ZINC000753768820 584906299 /nfs/dbraw/zinc/90/62/99/584906299.db2.gz FNHBOIAOAXATRD-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO CCCCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000753915759 585271920 /nfs/dbraw/zinc/27/19/20/585271920.db2.gz VNHYQZNEYXKARU-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000753915764 585271913 /nfs/dbraw/zinc/27/19/13/585271913.db2.gz VNHYQZNEYXKARU-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO C[C@H](C[NH2+]CCC1CCC1)Cc1ccccc1 ZINC000753959355 585273204 /nfs/dbraw/zinc/27/32/04/585273204.db2.gz GCBYNDQANGSOIQ-AWEZNQCLSA-N 1 0 231.383 3.645 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCC1)Cc1ccccc1 ZINC000753959356 585273355 /nfs/dbraw/zinc/27/33/55/585273355.db2.gz GCBYNDQANGSOIQ-CQSZACIVSA-N 1 0 231.383 3.645 20 0 BHADRO C[N@H+](CCc1cccs1)[C@@H]1CCC(C)(C)C1 ZINC000753964052 585273495 /nfs/dbraw/zinc/27/34/95/585273495.db2.gz PRPQARMJHHVYRL-GFCCVEGCSA-N 1 0 237.412 3.801 20 0 BHADRO C[N@H+](CCc1cccs1)[C@H]1CCC(C)(C)C1 ZINC000753964057 585273749 /nfs/dbraw/zinc/27/37/49/585273749.db2.gz PRPQARMJHHVYRL-LBPRGKRZSA-N 1 0 237.412 3.801 20 0 BHADRO CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000754080786 712406054 /nfs/dbraw/zinc/40/60/54/712406054.db2.gz BSXYUCQIYVOIGQ-HTAVTVPLSA-N 1 0 249.320 3.697 20 0 BHADRO CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000754080790 712406180 /nfs/dbraw/zinc/40/61/80/712406180.db2.gz BSXYUCQIYVOIGQ-MCIGGMRASA-N 1 0 249.320 3.697 20 0 BHADRO CC(C)C1CC([NH2+]C[C@@H](C)c2cccc(F)c2)C1 ZINC000754090831 585277853 /nfs/dbraw/zinc/27/78/53/585277853.db2.gz ZVLLATWZRFZQOG-XEBKBJJBSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)C1CC([NH2+]C[C@H](C)c2cccc(F)c2)C1 ZINC000754090832 585277754 /nfs/dbraw/zinc/27/77/54/585277754.db2.gz ZVLLATWZRFZQOG-YGONEPDPSA-N 1 0 249.373 3.953 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CC(C(C)C)C1 ZINC000754100396 585278307 /nfs/dbraw/zinc/27/83/07/585278307.db2.gz HNBRCFLFDXZZPO-UHFFFAOYSA-N 1 0 235.346 3.658 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000754127780 585279059 /nfs/dbraw/zinc/27/90/59/585279059.db2.gz TYWPFYZGNNCZLP-DOMZBBRYSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000754127788 585279045 /nfs/dbraw/zinc/27/90/45/585279045.db2.gz TYWPFYZGNNCZLP-IUODEOHRSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000754127790 585279033 /nfs/dbraw/zinc/27/90/33/585279033.db2.gz TYWPFYZGNNCZLP-SWLSCSKDSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@H]1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000754127791 585279156 /nfs/dbraw/zinc/27/91/56/585279156.db2.gz TYWPFYZGNNCZLP-WFASDCNBSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H]1C[C@H]1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000754129586 585279092 /nfs/dbraw/zinc/27/90/92/585279092.db2.gz ZJMANJFEVLSIHI-DOMZBBRYSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000754129588 585279198 /nfs/dbraw/zinc/27/91/98/585279198.db2.gz ZJMANJFEVLSIHI-IUODEOHRSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@@H]1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000754129590 585279074 /nfs/dbraw/zinc/27/90/74/585279074.db2.gz ZJMANJFEVLSIHI-SWLSCSKDSA-N 1 0 247.357 3.661 20 0 BHADRO C[C@H]1C[C@H]1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000754129591 585279130 /nfs/dbraw/zinc/27/91/30/585279130.db2.gz ZJMANJFEVLSIHI-WFASDCNBSA-N 1 0 247.357 3.661 20 0 BHADRO c1cc(C[NH2+]C(C2CCCC2)C2CCCC2)no1 ZINC000754142254 644609591 /nfs/dbraw/zinc/60/95/91/644609591.db2.gz HAOWQJUIKCMCFX-UHFFFAOYSA-N 1 0 248.370 3.513 20 0 BHADRO c1cc(C[NH2+]C(C2CCCC2)C2CCCC2)on1 ZINC000754145677 644609380 /nfs/dbraw/zinc/60/93/80/644609380.db2.gz XATJKTPDUONQRY-UHFFFAOYSA-N 1 0 248.370 3.513 20 0 BHADRO CCCCCC[NH+]1CCC(c2ccccn2)CC1 ZINC000754350678 585282674 /nfs/dbraw/zinc/28/26/74/585282674.db2.gz AUPRSJVJXSITRY-UHFFFAOYSA-N 1 0 246.398 3.841 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C/C=C/Cl)C2CC2)c1 ZINC000754363504 585283371 /nfs/dbraw/zinc/28/33/71/585283371.db2.gz XXBPXRVGAVXJHU-GZTQLTBSSA-N 1 0 249.785 3.658 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]C/C=C\Cl)C2CC2)c1 ZINC000754363505 585283330 /nfs/dbraw/zinc/28/33/30/585283330.db2.gz XXBPXRVGAVXJHU-JBGNVSFKSA-N 1 0 249.785 3.658 20 0 BHADRO Cc1cccc(C[C@H]([NH2+]C/C=C\Cl)C2CC2)c1 ZINC000754363506 585283280 /nfs/dbraw/zinc/28/32/80/585283280.db2.gz XXBPXRVGAVXJHU-VOGXCRAGSA-N 1 0 249.785 3.658 20 0 BHADRO Cc1cccc(C[C@@H]([NH2+]C/C=C/Cl)C2CC2)c1 ZINC000754363507 585283213 /nfs/dbraw/zinc/28/32/13/585283213.db2.gz XXBPXRVGAVXJHU-WEJQMCOXSA-N 1 0 249.785 3.658 20 0 BHADRO CCCCCC[NH2+][C@H](CCOC)c1ccco1 ZINC000754449035 585284683 /nfs/dbraw/zinc/28/46/83/585284683.db2.gz SFBVTEXPNVSDDR-CYBMUJFWSA-N 1 0 239.359 3.527 20 0 BHADRO CCCCCC[NH2+][C@@H](CCOC)c1ccco1 ZINC000754449040 585284585 /nfs/dbraw/zinc/28/45/85/585284585.db2.gz SFBVTEXPNVSDDR-ZDUSSCGKSA-N 1 0 239.359 3.527 20 0 BHADRO c1ccc2c(c1)oc1ccc(C[NH2+]C3CC3)cc12 ZINC000754637900 585288390 /nfs/dbraw/zinc/28/83/90/585288390.db2.gz HFTNINZPSULOEI-UHFFFAOYSA-N 1 0 237.302 3.838 20 0 BHADRO CCOCC[NH2+][C@H](C)c1csc2ccccc12 ZINC000754729286 585290191 /nfs/dbraw/zinc/29/01/91/585290191.db2.gz AQXKHAWEUOHEDG-LLVKDONJSA-N 1 0 249.379 3.588 20 0 BHADRO CCOCC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000754729293 585290112 /nfs/dbraw/zinc/29/01/12/585290112.db2.gz AQXKHAWEUOHEDG-NSHDSACASA-N 1 0 249.379 3.588 20 0 BHADRO COCCC[NH2+][C@H](C)c1csc2ccccc12 ZINC000754730876 585290193 /nfs/dbraw/zinc/29/01/93/585290193.db2.gz JIIKWYSRVJCQAS-LLVKDONJSA-N 1 0 249.379 3.588 20 0 BHADRO COCCC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000754730878 585290100 /nfs/dbraw/zinc/29/01/00/585290100.db2.gz JIIKWYSRVJCQAS-NSHDSACASA-N 1 0 249.379 3.588 20 0 BHADRO CO[C@H](C)C[NH2+][C@H](C)c1csc2ccccc12 ZINC000754744270 585290273 /nfs/dbraw/zinc/29/02/73/585290273.db2.gz STYJMGRATGEWKD-GHMZBOCLSA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@H](C)C[NH2+][C@@H](C)c1csc2ccccc21 ZINC000754744271 585290184 /nfs/dbraw/zinc/29/01/84/585290184.db2.gz STYJMGRATGEWKD-MNOVXSKESA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@@H](C)C[NH2+][C@@H](C)c1csc2ccccc12 ZINC000754744273 585290130 /nfs/dbraw/zinc/29/01/30/585290130.db2.gz STYJMGRATGEWKD-QWRGUYRKSA-N 1 0 249.379 3.587 20 0 BHADRO CO[C@@H](C)C[NH2+][C@H](C)c1csc2ccccc12 ZINC000754744275 585290269 /nfs/dbraw/zinc/29/02/69/585290269.db2.gz STYJMGRATGEWKD-WDEREUQCSA-N 1 0 249.379 3.587 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000754849719 585291881 /nfs/dbraw/zinc/29/18/81/585291881.db2.gz RJVVOJFCLFODSD-GFCCVEGCSA-N 1 0 246.354 3.886 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000754849721 584932775 /nfs/dbraw/zinc/93/27/75/584932775.db2.gz RJVVOJFCLFODSD-LBPRGKRZSA-N 1 0 246.354 3.886 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C[Si](C)(C)C)C1CC1 ZINC000754870616 644614562 /nfs/dbraw/zinc/61/45/62/644614562.db2.gz ITFOTEKAUAURFO-LLVKDONJSA-N 1 0 237.419 3.682 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C[Si](C)(C)C)C1CC1 ZINC000754870641 585292114 /nfs/dbraw/zinc/29/21/14/585292114.db2.gz ITFOTEKAUAURFO-NSHDSACASA-N 1 0 237.419 3.682 20 0 BHADRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000755057418 585294258 /nfs/dbraw/zinc/29/42/58/585294258.db2.gz OTULYXRKGCLORY-AWEZNQCLSA-N 1 0 235.346 3.824 20 0 BHADRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000755057419 585294234 /nfs/dbraw/zinc/29/42/34/585294234.db2.gz OTULYXRKGCLORY-CQSZACIVSA-N 1 0 235.346 3.824 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000755071081 585294377 /nfs/dbraw/zinc/29/43/77/585294377.db2.gz LZFLZFSKXHTRBP-JXSYMDBTSA-N 1 0 249.785 3.740 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000755071089 585294223 /nfs/dbraw/zinc/29/42/23/585294223.db2.gz LZFLZFSKXHTRBP-KJUPGIGJSA-N 1 0 249.785 3.740 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000755071091 585294257 /nfs/dbraw/zinc/29/42/57/585294257.db2.gz LZFLZFSKXHTRBP-VXQJABLNSA-N 1 0 249.785 3.740 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000755071092 585294094 /nfs/dbraw/zinc/29/40/94/585294094.db2.gz LZFLZFSKXHTRBP-XYDVGMDTSA-N 1 0 249.785 3.740 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+](C)C/C=C\Cl ZINC000755192387 585295781 /nfs/dbraw/zinc/29/57/81/585295781.db2.gz BDKSRTGNBFEOST-BWPOMFIKSA-N 1 0 235.758 3.774 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+](C)C/C=C\Cl ZINC000755192389 585295896 /nfs/dbraw/zinc/29/58/96/585295896.db2.gz BDKSRTGNBFEOST-GAFAEJDHSA-N 1 0 235.758 3.774 20 0 BHADRO C/C(=C\c1ccccc1)C[N@H+](C)C/C=C/Cl ZINC000755192390 585295892 /nfs/dbraw/zinc/29/58/92/585295892.db2.gz BDKSRTGNBFEOST-PDEGXQQQSA-N 1 0 235.758 3.774 20 0 BHADRO C/C(=C/c1ccccc1)C[N@H+](C)C/C=C/Cl ZINC000755192392 585295996 /nfs/dbraw/zinc/29/59/96/585295996.db2.gz BDKSRTGNBFEOST-ZOWFANGCSA-N 1 0 235.758 3.774 20 0 BHADRO COCC(C)(C)C[NH2+]Cc1ccccc1C(C)C ZINC000755220795 585296458 /nfs/dbraw/zinc/29/64/58/585296458.db2.gz RTGZGLQMFXZFLN-UHFFFAOYSA-N 1 0 249.398 3.572 20 0 BHADRO Cl/C=C/C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000755244016 585296759 /nfs/dbraw/zinc/29/67/59/585296759.db2.gz PDCDZCGHTKNMSQ-IZZDOVSWSA-N 1 0 249.785 3.884 20 0 BHADRO Cl/C=C\C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000755244017 585296607 /nfs/dbraw/zinc/29/66/07/585296607.db2.gz PDCDZCGHTKNMSQ-WDZFZDKYSA-N 1 0 249.785 3.884 20 0 BHADRO CCC[C@@H]1CCCCN1CC(F)(F)C(F)F ZINC000755244863 585296547 /nfs/dbraw/zinc/29/65/47/585296547.db2.gz KCNQXQLSVYVVOK-SECBINFHSA-N 1 0 241.272 3.541 20 0 BHADRO CCC[C@H]1CCCCN1CC(F)(F)C(F)F ZINC000755245126 585296638 /nfs/dbraw/zinc/29/66/38/585296638.db2.gz KCNQXQLSVYVVOK-VIFPVBQESA-N 1 0 241.272 3.541 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000755246079 585296717 /nfs/dbraw/zinc/29/67/17/585296717.db2.gz VOSYRWTXRJKSES-HIJJYWJESA-N 1 0 236.186 3.960 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000755246080 585296709 /nfs/dbraw/zinc/29/67/09/585296709.db2.gz VOSYRWTXRJKSES-IEHMKBBKSA-N 1 0 236.186 3.960 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000755246081 585296656 /nfs/dbraw/zinc/29/66/56/585296656.db2.gz VOSYRWTXRJKSES-RJCSOLBVSA-N 1 0 236.186 3.960 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000755246082 585296720 /nfs/dbraw/zinc/29/67/20/585296720.db2.gz VOSYRWTXRJKSES-UQSGXBNBSA-N 1 0 236.186 3.960 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1CCCCCCCO ZINC000755246252 585296668 /nfs/dbraw/zinc/29/66/68/585296668.db2.gz AQDPCLWZHGXWFQ-HNNXBMFYSA-N 1 0 241.419 3.584 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1CCCCCCCO ZINC000755246268 585296684 /nfs/dbraw/zinc/29/66/84/585296684.db2.gz AQDPCLWZHGXWFQ-OAHLLOKOSA-N 1 0 241.419 3.584 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+]CCC1CCC1)CC2 ZINC000755996045 585312416 /nfs/dbraw/zinc/31/24/16/585312416.db2.gz ONWSXISKPVTVIX-HNNXBMFYSA-N 1 0 233.330 3.593 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+]CCC1CCC1)CC2 ZINC000755996050 643608089 /nfs/dbraw/zinc/60/80/89/643608089.db2.gz ONWSXISKPVTVIX-OAHLLOKOSA-N 1 0 233.330 3.593 20 0 BHADRO CCC1(CC)CC[N@H+](CCc2cccs2)C1 ZINC000756021557 585313225 /nfs/dbraw/zinc/31/32/25/585313225.db2.gz BULYFBSORJOFMG-UHFFFAOYSA-N 1 0 237.412 3.803 20 0 BHADRO C[N@H+](C/C=C/Cl)C1CCC(C)(C)CC1 ZINC000756059609 585313913 /nfs/dbraw/zinc/31/39/13/585313913.db2.gz SJAVDHCIGVPNIL-RUDMXATFSA-N 1 0 215.768 3.640 20 0 BHADRO C[N@H+](C/C=C\Cl)C1CCC(C)(C)CC1 ZINC000756059613 585313853 /nfs/dbraw/zinc/31/38/53/585313853.db2.gz SJAVDHCIGVPNIL-WTKPLQERSA-N 1 0 215.768 3.640 20 0 BHADRO c1ccc2c(c1)ccnc2C[NH2+]CCC1CCC1 ZINC000756135738 585315036 /nfs/dbraw/zinc/31/50/36/585315036.db2.gz HGWOGQRLBBUEIL-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO Fc1ccc2oc(C[NH2+]CCC3CCC3)cc2c1 ZINC000756135749 585314846 /nfs/dbraw/zinc/31/48/46/585314846.db2.gz IMONHXJWXJMXAM-UHFFFAOYSA-N 1 0 247.313 3.852 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+]CCC1CCC1 ZINC000756149081 585315366 /nfs/dbraw/zinc/31/53/66/585315366.db2.gz JXNJPEOMPKDGMI-OWBHPGMISA-N 1 0 229.367 3.870 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+]CCC1CCC1 ZINC000756149084 585315383 /nfs/dbraw/zinc/31/53/83/585315383.db2.gz JXNJPEOMPKDGMI-WYMLVPIESA-N 1 0 229.367 3.870 20 0 BHADRO CC[C@H]([NH2+]C1CCCCCCC1)c1ccn(C)n1 ZINC000756339803 585318126 /nfs/dbraw/zinc/31/81/26/585318126.db2.gz CPEAGMHLQBMTTR-AWEZNQCLSA-N 1 0 249.402 3.574 20 0 BHADRO CC[C@@H]([NH2+]C1CCCCCCC1)c1ccn(C)n1 ZINC000756339816 585318065 /nfs/dbraw/zinc/31/80/65/585318065.db2.gz CPEAGMHLQBMTTR-CQSZACIVSA-N 1 0 249.402 3.574 20 0 BHADRO CCC[C@H]([NH2+]CCC1CCC1)c1cccnc1 ZINC000756741063 644629899 /nfs/dbraw/zinc/62/98/99/644629899.db2.gz AZFIPEAKWJBSGI-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCC[C@@H]([NH2+]CCC1CCC1)c1cccnc1 ZINC000756741064 644629831 /nfs/dbraw/zinc/62/98/31/644629831.db2.gz AZFIPEAKWJBSGI-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCCC[N@H+](C)Cc1cccc(OC)c1 ZINC000756764967 585322867 /nfs/dbraw/zinc/32/28/67/585322867.db2.gz NQFZFDCAFJSKTR-UHFFFAOYSA-N 1 0 235.371 3.707 20 0 BHADRO CSc1cc(C)ccc1C[NH2+]Cc1ccoc1 ZINC000756900606 585325047 /nfs/dbraw/zinc/32/50/47/585325047.db2.gz RHZZUIWRMQKUBE-UHFFFAOYSA-N 1 0 247.363 3.600 20 0 BHADRO CCCCCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000757118187 585029301 /nfs/dbraw/zinc/02/93/01/585029301.db2.gz TWWCIDOQIXSAQD-UHFFFAOYSA-N 1 0 235.293 3.761 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757147257 582531533 /nfs/dbraw/zinc/53/15/33/582531533.db2.gz AZZLEPUPQVPVOI-LLVKDONJSA-N 1 0 225.763 3.927 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757147259 582531270 /nfs/dbraw/zinc/53/12/70/582531270.db2.gz AZZLEPUPQVPVOI-NSHDSACASA-N 1 0 225.763 3.927 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757153736 582538570 /nfs/dbraw/zinc/53/85/70/582538570.db2.gz RECBVTKCDHFPFS-UHFFFAOYSA-N 1 0 225.763 3.927 20 0 BHADRO CCCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757154390 586430090 /nfs/dbraw/zinc/43/00/90/586430090.db2.gz YCFUKHRJNIVEQG-UHFFFAOYSA-N 1 0 225.763 3.928 20 0 BHADRO CCCCCC[N@H+](CCOC)Cc1ccccc1 ZINC000757510471 584900671 /nfs/dbraw/zinc/90/06/71/584900671.db2.gz AEMXQRXSGPYEHG-UHFFFAOYSA-N 1 0 249.398 3.715 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccc(C)o1 ZINC000757512496 585339762 /nfs/dbraw/zinc/33/97/62/585339762.db2.gz VSOMFYJBQMPNBD-UHFFFAOYSA-N 1 0 209.333 3.600 20 0 BHADRO CCCCCC[N@H+](C)Cc1cccs1 ZINC000757512591 585339931 /nfs/dbraw/zinc/33/99/31/585339931.db2.gz XORQAKQDUISCDL-UHFFFAOYSA-N 1 0 211.374 3.760 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(OC)cc1C ZINC000757647207 585343599 /nfs/dbraw/zinc/34/35/99/585343599.db2.gz GHXKAAIBZGULFV-UHFFFAOYSA-N 1 0 235.371 3.626 20 0 BHADRO COc1ccc(C[N@H+](C)CC2CCCC2)c(C)c1 ZINC000757648541 585343584 /nfs/dbraw/zinc/34/35/84/585343584.db2.gz AITYLGHHEAVOKJ-UHFFFAOYSA-N 1 0 247.382 3.626 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(OC)cc1C ZINC000757649841 585343728 /nfs/dbraw/zinc/34/37/28/585343728.db2.gz XBMCDLAHIXAECI-UHFFFAOYSA-N 1 0 235.371 3.626 20 0 BHADRO COc1ccc(C[N@H+](C(C)C)C2CCC2)c(C)c1 ZINC000757664043 585343609 /nfs/dbraw/zinc/34/36/09/585343609.db2.gz WBWQEHWTZVIPOY-UHFFFAOYSA-N 1 0 247.382 3.767 20 0 BHADRO CC1(C)CCCC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000757700678 585344487 /nfs/dbraw/zinc/34/44/87/585344487.db2.gz YQOHEPJPYCPXJD-CYBMUJFWSA-N 1 0 248.370 3.610 20 0 BHADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000757700680 585344464 /nfs/dbraw/zinc/34/44/64/585344464.db2.gz YQOHEPJPYCPXJD-ZDUSSCGKSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000757864279 585346069 /nfs/dbraw/zinc/34/60/69/585346069.db2.gz XIKCBKGBEBLJEF-DZGCQCFKSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000757864301 585346077 /nfs/dbraw/zinc/34/60/77/585346077.db2.gz XIKCBKGBEBLJEF-HIFRSBDPSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000757864305 585346183 /nfs/dbraw/zinc/34/61/83/585346183.db2.gz XIKCBKGBEBLJEF-UKRRQHHQSA-N 1 0 246.398 3.694 20 0 BHADRO Cc1cncc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000757864308 585346191 /nfs/dbraw/zinc/34/61/91/585346191.db2.gz XIKCBKGBEBLJEF-ZFWWWQNUSA-N 1 0 246.398 3.694 20 0 BHADRO CCC[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000757996016 585348078 /nfs/dbraw/zinc/34/80/78/585348078.db2.gz QXELGEQGCNITIL-AWEZNQCLSA-N 1 0 248.370 3.707 20 0 BHADRO CCC[C@@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000757996017 585348090 /nfs/dbraw/zinc/34/80/90/585348090.db2.gz QXELGEQGCNITIL-CQSZACIVSA-N 1 0 248.370 3.707 20 0 BHADRO c1nc(C[NH2+]C(C2CCCC2)C2CCCC2)co1 ZINC000758360752 585354608 /nfs/dbraw/zinc/35/46/08/585354608.db2.gz IUJCBGDWAWISEU-UHFFFAOYSA-N 1 0 248.370 3.513 20 0 BHADRO CC(C)(C)C1=CCN(C/C(Cl)=C\Cl)CC1 ZINC000759263527 585366465 /nfs/dbraw/zinc/36/64/65/585366465.db2.gz MDLCPCHUUIAEGY-DHZHZOJOSA-N 1 0 248.197 3.984 20 0 BHADRO CC(C)(C)C1=CCN(C/C(Cl)=C/Cl)CC1 ZINC000759263528 585366433 /nfs/dbraw/zinc/36/64/33/585366433.db2.gz MDLCPCHUUIAEGY-FLIBITNWSA-N 1 0 248.197 3.984 20 0 BHADRO CC1(C)C[N@H+](C/C=C/Cl)Cc2ccccc21 ZINC000759307373 585366851 /nfs/dbraw/zinc/36/68/51/585366851.db2.gz BGXSTFWLELBDJA-VMPITWQZSA-N 1 0 235.758 3.532 20 0 BHADRO CC1(C)C[N@H+](C/C=C\Cl)Cc2ccccc21 ZINC000759307377 585366801 /nfs/dbraw/zinc/36/68/01/585366801.db2.gz BGXSTFWLELBDJA-YVMONPNESA-N 1 0 235.758 3.532 20 0 BHADRO CCCCC[N@H+](CCF)Cc1ccc(F)cc1 ZINC000759326814 585367569 /nfs/dbraw/zinc/36/75/69/585367569.db2.gz HNFTWWQEOKJACG-UHFFFAOYSA-N 1 0 241.325 3.787 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCF)C1CC1 ZINC000759328332 585367647 /nfs/dbraw/zinc/36/76/47/585367647.db2.gz QCFISHDGCNLQAY-JTQLQIEISA-N 1 0 241.737 3.835 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[N@H+](CCF)C1CC1 ZINC000759328338 585367391 /nfs/dbraw/zinc/36/73/91/585367391.db2.gz QCFISHDGCNLQAY-SNVBAGLBSA-N 1 0 241.737 3.835 20 0 BHADRO FCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000759329061 585367299 /nfs/dbraw/zinc/36/72/99/585367299.db2.gz WLNVCTGQZPEENQ-AWEZNQCLSA-N 1 0 221.319 3.573 20 0 BHADRO FCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000759329065 585367670 /nfs/dbraw/zinc/36/76/70/585367670.db2.gz WLNVCTGQZPEENQ-CQSZACIVSA-N 1 0 221.319 3.573 20 0 BHADRO CC(C)[N@H+](CCF)Cc1cccc(Cl)c1 ZINC000759329308 585367521 /nfs/dbraw/zinc/36/75/21/585367521.db2.gz XKDTXQXRVJVTFZ-UHFFFAOYSA-N 1 0 229.726 3.520 20 0 BHADRO CCC[N@H+](CCF)[C@@H](CC)c1ccccc1 ZINC000759330007 584906555 /nfs/dbraw/zinc/90/65/55/584906555.db2.gz AAAVETNUESHMPW-AWEZNQCLSA-N 1 0 223.335 3.819 20 0 BHADRO CCC[N@H+](CCF)[C@H](CC)c1ccccc1 ZINC000759330015 584906570 /nfs/dbraw/zinc/90/65/70/584906570.db2.gz AAAVETNUESHMPW-CQSZACIVSA-N 1 0 223.335 3.819 20 0 BHADRO FCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000759330094 585367995 /nfs/dbraw/zinc/36/79/95/585367995.db2.gz CJXDZVHJILLBRK-UHFFFAOYSA-N 1 0 243.325 3.774 20 0 BHADRO FCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000759330103 585367820 /nfs/dbraw/zinc/36/78/20/585367820.db2.gz CVPXLPLEXKUWHV-INIZCTEOSA-N 1 0 243.325 3.946 20 0 BHADRO FCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000759330104 585368118 /nfs/dbraw/zinc/36/81/18/585368118.db2.gz CVPXLPLEXKUWHV-MRXNPFEDSA-N 1 0 243.325 3.946 20 0 BHADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCF ZINC000759330201 585367899 /nfs/dbraw/zinc/36/78/99/585367899.db2.gz GKEFDJPHVZDFRB-SECBINFHSA-N 1 0 249.251 3.668 20 0 BHADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCF ZINC000759330202 585368044 /nfs/dbraw/zinc/36/80/44/585368044.db2.gz GKEFDJPHVZDFRB-VIFPVBQESA-N 1 0 249.251 3.668 20 0 BHADRO CC[N@H+](CCF)Cc1ccc2ccccc2c1 ZINC000759330672 585367803 /nfs/dbraw/zinc/36/78/03/585367803.db2.gz PGEKZFFLJODIJZ-UHFFFAOYSA-N 1 0 231.314 3.631 20 0 BHADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCF ZINC000759330732 585367813 /nfs/dbraw/zinc/36/78/13/585367813.db2.gz AWDZJRLQRNCFGB-CABCVRRESA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCF ZINC000759330734 585368088 /nfs/dbraw/zinc/36/80/88/585368088.db2.gz AWDZJRLQRNCFGB-GJZGRUSLSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCF ZINC000759330735 585367843 /nfs/dbraw/zinc/36/78/43/585367843.db2.gz AWDZJRLQRNCFGB-HUUCEWRRSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCF ZINC000759330737 585367929 /nfs/dbraw/zinc/36/79/29/585367929.db2.gz AWDZJRLQRNCFGB-LSDHHAIUSA-N 1 0 235.346 3.614 20 0 BHADRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCF ZINC000759330811 585367254 /nfs/dbraw/zinc/36/72/54/585367254.db2.gz SJKKKOAUXAIRLX-SECBINFHSA-N 1 0 249.251 3.668 20 0 BHADRO CCCC[N@H+](CCF)[C@H](C)c1ccccc1 ZINC000759330817 585367965 /nfs/dbraw/zinc/36/79/65/585367965.db2.gz SJSFGJBUBHSPLY-CYBMUJFWSA-N 1 0 223.335 3.819 20 0 BHADRO CCCC[N@H+](CCF)[C@@H](C)c1ccccc1 ZINC000759330819 585368010 /nfs/dbraw/zinc/36/80/10/585368010.db2.gz SJSFGJBUBHSPLY-ZDUSSCGKSA-N 1 0 223.335 3.819 20 0 BHADRO FCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000759330964 585368111 /nfs/dbraw/zinc/36/81/11/585368111.db2.gz VMWMCBDHXCHIFP-UHFFFAOYSA-N 1 0 239.309 3.540 20 0 BHADRO CC(C)c1ccc(C[N@H+](CCF)C2CC2)cc1 ZINC000759331168 585367887 /nfs/dbraw/zinc/36/78/87/585367887.db2.gz BGEPLPNZIZVIEO-UHFFFAOYSA-N 1 0 235.346 3.744 20 0 BHADRO CC[N@H+](CCF)[C@H](C)c1cc2ccccc2o1 ZINC000759331423 585367783 /nfs/dbraw/zinc/36/77/83/585367783.db2.gz YUOKHMRQNIUKAZ-LLVKDONJSA-N 1 0 235.302 3.785 20 0 BHADRO CC[N@H+](CCF)[C@@H](C)c1cc2ccccc2o1 ZINC000759331426 585367949 /nfs/dbraw/zinc/36/79/49/585367949.db2.gz YUOKHMRQNIUKAZ-NSHDSACASA-N 1 0 235.302 3.785 20 0 BHADRO CCCC[N@H+](CCF)[C@H](C)c1ccc(C)o1 ZINC000759332760 585368471 /nfs/dbraw/zinc/36/84/71/585368471.db2.gz OREGSYYNRHIQRX-GFCCVEGCSA-N 1 0 227.323 3.721 20 0 BHADRO CCCC[N@H+](CCF)[C@@H](C)c1ccc(C)o1 ZINC000759332761 585368253 /nfs/dbraw/zinc/36/82/53/585368253.db2.gz OREGSYYNRHIQRX-LBPRGKRZSA-N 1 0 227.323 3.721 20 0 BHADRO CC(C)(C)C[N@H+](CCF)Cc1ccccc1 ZINC000759339418 585368701 /nfs/dbraw/zinc/36/87/01/585368701.db2.gz OYSZSHXRGHLLEC-UHFFFAOYSA-N 1 0 223.335 3.504 20 0 BHADRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCF)cc1 ZINC000759341717 585369038 /nfs/dbraw/zinc/36/90/38/585369038.db2.gz DJSWGZLCFJVYDW-DZGCQCFKSA-N 1 0 235.346 3.738 20 0 BHADRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCF)cc1 ZINC000759341721 585369028 /nfs/dbraw/zinc/36/90/28/585369028.db2.gz DJSWGZLCFJVYDW-HIFRSBDPSA-N 1 0 235.346 3.738 20 0 BHADRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCF)cc1 ZINC000759341723 585369078 /nfs/dbraw/zinc/36/90/78/585369078.db2.gz DJSWGZLCFJVYDW-UKRRQHHQSA-N 1 0 235.346 3.738 20 0 BHADRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCF)cc1 ZINC000759341724 585369352 /nfs/dbraw/zinc/36/93/52/585369352.db2.gz DJSWGZLCFJVYDW-ZFWWWQNUSA-N 1 0 235.346 3.738 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](CCF)CC1CCC1 ZINC000759341735 585369176 /nfs/dbraw/zinc/36/91/76/585369176.db2.gz DLIPXUPLLKHCCQ-CYBMUJFWSA-N 1 0 235.346 3.819 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](CCF)CC1CCC1 ZINC000759341738 585369075 /nfs/dbraw/zinc/36/90/75/585369075.db2.gz DLIPXUPLLKHCCQ-ZDUSSCGKSA-N 1 0 235.346 3.819 20 0 BHADRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCF ZINC000759343729 585369722 /nfs/dbraw/zinc/36/97/22/585369722.db2.gz AEHVEILSPDKAAX-HNNXBMFYSA-N 1 0 237.362 3.608 20 0 BHADRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCF ZINC000759343748 585369766 /nfs/dbraw/zinc/36/97/66/585369766.db2.gz AEHVEILSPDKAAX-OAHLLOKOSA-N 1 0 237.362 3.608 20 0 BHADRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCF)cc1 ZINC000759343920 585369508 /nfs/dbraw/zinc/36/95/08/585369508.db2.gz BBVQTAMAJBEJRE-CABCVRRESA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCF)cc1 ZINC000759343924 585369700 /nfs/dbraw/zinc/36/97/00/585369700.db2.gz BBVQTAMAJBEJRE-GJZGRUSLSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCF)cc1 ZINC000759343927 585369693 /nfs/dbraw/zinc/36/96/93/585369693.db2.gz BBVQTAMAJBEJRE-HUUCEWRRSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCF)cc1 ZINC000759343930 585369809 /nfs/dbraw/zinc/36/98/09/585369809.db2.gz BBVQTAMAJBEJRE-LSDHHAIUSA-N 1 0 235.346 3.532 20 0 BHADRO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCF)c1 ZINC000759344393 585369820 /nfs/dbraw/zinc/36/98/20/585369820.db2.gz PUMPYGRUIIECQT-HNNXBMFYSA-N 1 0 235.346 3.882 20 0 BHADRO Cc1cccc([C@H]2CCCCC[N@@H+]2CCF)c1 ZINC000759344395 585369560 /nfs/dbraw/zinc/36/95/60/585369560.db2.gz PUMPYGRUIIECQT-OAHLLOKOSA-N 1 0 235.346 3.882 20 0 BHADRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCF ZINC000759345614 585370347 /nfs/dbraw/zinc/37/03/47/585370347.db2.gz JVUAUHHOHWLBDU-GHMZBOCLSA-N 1 0 243.753 3.733 20 0 BHADRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCF ZINC000759345618 585370370 /nfs/dbraw/zinc/37/03/70/585370370.db2.gz JVUAUHHOHWLBDU-MNOVXSKESA-N 1 0 243.753 3.733 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCF ZINC000759345638 585370215 /nfs/dbraw/zinc/37/02/15/585370215.db2.gz JVUAUHHOHWLBDU-QWRGUYRKSA-N 1 0 243.753 3.733 20 0 BHADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCF ZINC000759345640 585369896 /nfs/dbraw/zinc/36/98/96/585369896.db2.gz JVUAUHHOHWLBDU-WDEREUQCSA-N 1 0 243.753 3.733 20 0 BHADRO CCc1ccc([C@@H]2C[C@@H](C)CCN2CCF)o1 ZINC000759347535 585370774 /nfs/dbraw/zinc/37/07/74/585370774.db2.gz QBLJNRZBJSXMSP-AAEUAGOBSA-N 1 0 239.334 3.585 20 0 BHADRO CCc1ccc([C@H]2C[C@H](C)CCN2CCF)o1 ZINC000759347537 585370620 /nfs/dbraw/zinc/37/06/20/585370620.db2.gz QBLJNRZBJSXMSP-DGCLKSJQSA-N 1 0 239.334 3.585 20 0 BHADRO CCc1ccc([C@H]2C[C@@H](C)CCN2CCF)o1 ZINC000759347539 585370481 /nfs/dbraw/zinc/37/04/81/585370481.db2.gz QBLJNRZBJSXMSP-WCQYABFASA-N 1 0 239.334 3.585 20 0 BHADRO CCc1ccc([C@@H]2C[C@H](C)CCN2CCF)o1 ZINC000759347540 585370646 /nfs/dbraw/zinc/37/06/46/585370646.db2.gz QBLJNRZBJSXMSP-YPMHNXCESA-N 1 0 239.334 3.585 20 0 BHADRO Cc1cccc([C@@H]2CCCC[N@@H+]2CCF)c1C ZINC000759348596 585370636 /nfs/dbraw/zinc/37/06/36/585370636.db2.gz XUNPAILSLUNNFR-HNNXBMFYSA-N 1 0 235.346 3.800 20 0 BHADRO Cc1cccc([C@H]2CCCC[N@@H+]2CCF)c1C ZINC000759348597 585370617 /nfs/dbraw/zinc/37/06/17/585370617.db2.gz XUNPAILSLUNNFR-OAHLLOKOSA-N 1 0 235.346 3.800 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC12CCCCC2 ZINC000759395519 585372220 /nfs/dbraw/zinc/37/22/20/585372220.db2.gz NIFILKGMDVOFSN-UITAMQMPSA-N 1 0 213.752 3.538 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC12CCCCC2 ZINC000759395520 585372068 /nfs/dbraw/zinc/37/20/68/585372068.db2.gz NIFILKGMDVOFSN-WEVVVXLNSA-N 1 0 213.752 3.538 20 0 BHADRO CCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000759424484 585372775 /nfs/dbraw/zinc/37/27/75/585372775.db2.gz DKHJYDQIJKILTG-HOCLYGCPSA-N 1 0 249.398 3.669 20 0 BHADRO CCCCCC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000759424877 585372912 /nfs/dbraw/zinc/37/29/12/585372912.db2.gz DKHJYDQIJKILTG-ZBFHGGJFSA-N 1 0 249.398 3.669 20 0 BHADRO CC(C)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000759767091 585380004 /nfs/dbraw/zinc/38/00/04/585380004.db2.gz LDEZRWFMECNUTK-UHFFFAOYSA-N 1 0 246.398 3.517 20 0 BHADRO CCCCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000759912504 585382608 /nfs/dbraw/zinc/38/26/08/585382608.db2.gz WEIUJSWCFQOTSO-UHFFFAOYSA-N 1 0 234.387 3.795 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000759967665 585383341 /nfs/dbraw/zinc/38/33/41/585383341.db2.gz RWZDXIJYMROYRL-KBPBESRZSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000759967666 585383485 /nfs/dbraw/zinc/38/34/85/585383485.db2.gz RWZDXIJYMROYRL-KGLIPLIRSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000759967668 585383176 /nfs/dbraw/zinc/38/31/76/585383176.db2.gz RWZDXIJYMROYRL-UONOGXRCSA-N 1 0 241.419 3.893 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000759967669 585383262 /nfs/dbraw/zinc/38/32/62/585383262.db2.gz RWZDXIJYMROYRL-ZIAGYGMSSA-N 1 0 241.419 3.893 20 0 BHADRO COC1(C[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)CCC1 ZINC000760000698 585384080 /nfs/dbraw/zinc/38/40/80/585384080.db2.gz WTIIWTPYNPNDBY-CHWSQXEVSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(C[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)CCC1 ZINC000760000701 585383953 /nfs/dbraw/zinc/38/39/53/585383953.db2.gz WTIIWTPYNPNDBY-OLZOCXBDSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(C[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)CCC1 ZINC000760000703 585384071 /nfs/dbraw/zinc/38/40/71/585384071.db2.gz WTIIWTPYNPNDBY-QWHCGFSZSA-N 1 0 241.419 3.606 20 0 BHADRO COC1(C[C@H](C)[NH2+]C[C@H](C)C(C)(C)C)CCC1 ZINC000760000704 585383982 /nfs/dbraw/zinc/38/39/82/585383982.db2.gz WTIIWTPYNPNDBY-STQMWFEESA-N 1 0 241.419 3.606 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)CC ZINC000760017167 585384560 /nfs/dbraw/zinc/38/45/60/585384560.db2.gz LDVWRXRPJQXRSX-JTQLQIEISA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)CC ZINC000760017173 585384519 /nfs/dbraw/zinc/38/45/19/585384519.db2.gz LDVWRXRPJQXRSX-SNVBAGLBSA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000760039283 585384747 /nfs/dbraw/zinc/38/47/47/585384747.db2.gz FKGQRXHVELKKDY-GWCFXTLKSA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000760039284 585384613 /nfs/dbraw/zinc/38/46/13/585384613.db2.gz FKGQRXHVELKKDY-GXFFZTMASA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000760039286 585384733 /nfs/dbraw/zinc/38/47/33/585384733.db2.gz FKGQRXHVELKKDY-MFKMUULPSA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000760039288 585384754 /nfs/dbraw/zinc/38/47/54/585384754.db2.gz FKGQRXHVELKKDY-ZWNOBZJWSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CCCC2 ZINC000760042398 585384594 /nfs/dbraw/zinc/38/45/94/585384594.db2.gz VQYCNLATHDECNK-CVEARBPZSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CCCC2 ZINC000760042399 585384713 /nfs/dbraw/zinc/38/47/13/585384713.db2.gz VQYCNLATHDECNK-HOTGVXAUSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000760042400 585384764 /nfs/dbraw/zinc/38/47/64/585384764.db2.gz VQYCNLATHDECNK-HZPDHXFCSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CCCC2 ZINC000760042401 585384645 /nfs/dbraw/zinc/38/46/45/585384645.db2.gz VQYCNLATHDECNK-JKSUJKDBSA-N 1 0 241.378 3.905 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000760247748 585387338 /nfs/dbraw/zinc/38/73/38/585387338.db2.gz GPEDUSXPJIKMEE-CHWSQXEVSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000760247756 585387200 /nfs/dbraw/zinc/38/72/00/585387200.db2.gz GPEDUSXPJIKMEE-OLZOCXBDSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000760247761 585387239 /nfs/dbraw/zinc/38/72/39/585387239.db2.gz GPEDUSXPJIKMEE-QWHCGFSZSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000760247764 585387263 /nfs/dbraw/zinc/38/72/63/585387263.db2.gz GPEDUSXPJIKMEE-STQMWFEESA-N 1 0 228.339 3.735 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccc[nH]1 ZINC000760248386 585387489 /nfs/dbraw/zinc/38/74/89/585387489.db2.gz HPJDKCYYTBPBJV-GHMZBOCLSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1F ZINC000760248387 585387335 /nfs/dbraw/zinc/38/73/35/585387335.db2.gz HPJDKCYYTBPBJV-MNOVXSKESA-N 1 0 232.302 3.566 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc[nH]1 ZINC000760248388 585387286 /nfs/dbraw/zinc/38/72/86/585387286.db2.gz HPJDKCYYTBPBJV-QWRGUYRKSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc[nH]1 ZINC000760248389 585387528 /nfs/dbraw/zinc/38/75/28/585387528.db2.gz HPJDKCYYTBPBJV-WDEREUQCSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248416 585387460 /nfs/dbraw/zinc/38/74/60/585387460.db2.gz IGLBFMSBKBRCJO-GHMZBOCLSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000760248417 585387575 /nfs/dbraw/zinc/38/75/75/585387575.db2.gz IGLBFMSBKBRCJO-MNOVXSKESA-N 1 0 232.302 3.566 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248418 585387551 /nfs/dbraw/zinc/38/75/51/585387551.db2.gz IGLBFMSBKBRCJO-QWRGUYRKSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248420 585387562 /nfs/dbraw/zinc/38/75/62/585387562.db2.gz IGLBFMSBKBRCJO-WDEREUQCSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249153 585387391 /nfs/dbraw/zinc/38/73/91/585387391.db2.gz LVNFBOVBJOSUIA-GHMZBOCLSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760249155 585387510 /nfs/dbraw/zinc/38/75/10/585387510.db2.gz LVNFBOVBJOSUIA-MNOVXSKESA-N 1 0 232.302 3.566 20 0 BHADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249157 585387383 /nfs/dbraw/zinc/38/73/83/585387383.db2.gz LVNFBOVBJOSUIA-QWRGUYRKSA-N 1 0 232.302 3.566 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249159 585387350 /nfs/dbraw/zinc/38/73/50/585387350.db2.gz LVNFBOVBJOSUIA-WDEREUQCSA-N 1 0 232.302 3.566 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250053 585387484 /nfs/dbraw/zinc/38/74/84/585387484.db2.gz PAIFBIKZNMKYPT-GXTWGEPZSA-N 1 0 228.339 3.817 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250054 585387446 /nfs/dbraw/zinc/38/74/46/585387446.db2.gz PAIFBIKZNMKYPT-JSGCOSHPSA-N 1 0 228.339 3.817 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250057 585387585 /nfs/dbraw/zinc/38/75/85/585387585.db2.gz PAIFBIKZNMKYPT-OCCSQVGLSA-N 1 0 228.339 3.817 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250060 585387371 /nfs/dbraw/zinc/38/73/71/585387371.db2.gz PAIFBIKZNMKYPT-TZMCWYRMSA-N 1 0 228.339 3.817 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250664 585387549 /nfs/dbraw/zinc/38/75/49/585387549.db2.gz SJVJGLIUIJQTOA-BLLLJJGKSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250665 585387340 /nfs/dbraw/zinc/38/73/40/585387340.db2.gz SJVJGLIUIJQTOA-LRDDRELGSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250666 585387369 /nfs/dbraw/zinc/38/73/69/585387369.db2.gz SJVJGLIUIJQTOA-MLGOLLRUSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250667 585387539 /nfs/dbraw/zinc/38/75/39/585387539.db2.gz SJVJGLIUIJQTOA-WBMJQRKESA-N 1 0 240.350 3.743 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000760250672 585387468 /nfs/dbraw/zinc/38/74/68/585387468.db2.gz SOTZMLNBFREGDD-CHWSQXEVSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000760250673 585387442 /nfs/dbraw/zinc/38/74/42/585387442.db2.gz SOTZMLNBFREGDD-OLZOCXBDSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000760250674 585387359 /nfs/dbraw/zinc/38/73/59/585387359.db2.gz SOTZMLNBFREGDD-QWHCGFSZSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000760250675 585387346 /nfs/dbraw/zinc/38/73/46/585387346.db2.gz SOTZMLNBFREGDD-STQMWFEESA-N 1 0 228.339 3.735 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250677 585387581 /nfs/dbraw/zinc/38/75/81/585387581.db2.gz SRVRKEIZFWKRDR-BXUZGUMPSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250678 585387577 /nfs/dbraw/zinc/38/75/77/585387577.db2.gz SRVRKEIZFWKRDR-FZMZJTMJSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250679 585387450 /nfs/dbraw/zinc/38/74/50/585387450.db2.gz SRVRKEIZFWKRDR-RISCZKNCSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250680 585387361 /nfs/dbraw/zinc/38/73/61/585387361.db2.gz SRVRKEIZFWKRDR-SMDDNHRTSA-N 1 0 246.329 3.956 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc[nH]1 ZINC000760446385 585392583 /nfs/dbraw/zinc/39/25/83/585392583.db2.gz SVWKSMXJNWHCQA-GMXVVIOVSA-N 1 0 244.338 3.582 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc[nH]1 ZINC000760446386 585392617 /nfs/dbraw/zinc/39/26/17/585392617.db2.gz SVWKSMXJNWHCQA-GVXVVHGQSA-N 1 0 244.338 3.582 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc[nH]1 ZINC000760446388 585392483 /nfs/dbraw/zinc/39/24/83/585392483.db2.gz SVWKSMXJNWHCQA-MDZLAQPJSA-N 1 0 244.338 3.582 20 0 BHADRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc[nH]1 ZINC000760446390 585392541 /nfs/dbraw/zinc/39/25/41/585392541.db2.gz SVWKSMXJNWHCQA-NTZNESFSSA-N 1 0 244.338 3.582 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000760446819 585392662 /nfs/dbraw/zinc/39/26/62/585392662.db2.gz XQYRJNGBZQJDGT-CYBMUJFWSA-N 1 0 242.366 3.818 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000760446820 585392591 /nfs/dbraw/zinc/39/25/91/585392591.db2.gz XQYRJNGBZQJDGT-ZDUSSCGKSA-N 1 0 242.366 3.818 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(C)oc1C ZINC000760649061 585395271 /nfs/dbraw/zinc/39/52/71/585395271.db2.gz FYGJEUNRWSCYFK-LLVKDONJSA-N 1 0 249.276 3.717 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C)oc1C ZINC000760649069 585395118 /nfs/dbraw/zinc/39/51/18/585395118.db2.gz FYGJEUNRWSCYFK-NSHDSACASA-N 1 0 249.276 3.717 20 0 BHADRO c1cc(C[NH2+]C2(Cc3ccccc3)CCC2)co1 ZINC000760715841 585396160 /nfs/dbraw/zinc/39/61/60/585396160.db2.gz FUARCNIAEKLXMM-UHFFFAOYSA-N 1 0 241.334 3.535 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000760870851 585400727 /nfs/dbraw/zinc/40/07/27/585400727.db2.gz ROSMIDZVDQFKBU-KBPBESRZSA-N 1 0 249.402 3.763 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000760870852 585400534 /nfs/dbraw/zinc/40/05/34/585400534.db2.gz ROSMIDZVDQFKBU-KGLIPLIRSA-N 1 0 249.402 3.763 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000760870853 585400573 /nfs/dbraw/zinc/40/05/73/585400573.db2.gz ROSMIDZVDQFKBU-UONOGXRCSA-N 1 0 249.402 3.763 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000760870855 585400590 /nfs/dbraw/zinc/40/05/90/585400590.db2.gz ROSMIDZVDQFKBU-ZIAGYGMSSA-N 1 0 249.402 3.763 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1ccc(CF)cc1 ZINC000760888969 585401304 /nfs/dbraw/zinc/40/13/04/585401304.db2.gz UAIKWVZKOKBXMG-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO CC(C)CC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000760918838 585401718 /nfs/dbraw/zinc/40/17/18/585401718.db2.gz AMUIEMVRKBSGRL-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000760918839 585401817 /nfs/dbraw/zinc/40/18/17/585401817.db2.gz AMUIEMVRKBSGRL-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO Cc1cccc(C[NH+]2CCC(CC(C)C)CC2)n1 ZINC000760920208 585401642 /nfs/dbraw/zinc/40/16/42/585401642.db2.gz LHGWZNXJTVCWAH-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO COCCCCC[NH+]1CCC(CC(C)C)CC1 ZINC000760920244 585401683 /nfs/dbraw/zinc/40/16/83/585401683.db2.gz MGHKFXDSKZAVAZ-UHFFFAOYSA-N 1 0 241.419 3.561 20 0 BHADRO CC(C)CC1CC[NH+](CCCOC(C)C)CC1 ZINC000760921107 585401661 /nfs/dbraw/zinc/40/16/61/585401661.db2.gz OJEPWMMDNXWURX-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC(C)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000760921162 585401767 /nfs/dbraw/zinc/40/17/67/585401767.db2.gz PTFCAISSBQKEPC-UHFFFAOYSA-N 1 0 237.309 3.697 20 0 BHADRO CC(C)CC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000760922429 585401697 /nfs/dbraw/zinc/40/16/97/585401697.db2.gz VPKZYGKSVJQHSU-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000760922431 585401758 /nfs/dbraw/zinc/40/17/58/585401758.db2.gz VPKZYGKSVJQHSU-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000760925876 585401984 /nfs/dbraw/zinc/40/19/84/585401984.db2.gz MSDBETCOGGZUDO-AWEZNQCLSA-N 1 0 246.398 3.901 20 0 BHADRO CC(C)CC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000760925884 585402074 /nfs/dbraw/zinc/40/20/74/585402074.db2.gz MSDBETCOGGZUDO-CQSZACIVSA-N 1 0 246.398 3.901 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048998 585404114 /nfs/dbraw/zinc/40/41/14/585404114.db2.gz ZTOWFJRWQUFFIO-CMPLNLGQSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761049000 585403994 /nfs/dbraw/zinc/40/39/94/585403994.db2.gz ZTOWFJRWQUFFIO-JQWIXIFHSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761049003 585404015 /nfs/dbraw/zinc/40/40/15/585404015.db2.gz ZTOWFJRWQUFFIO-PWSUYJOCSA-N 1 0 243.272 3.632 20 0 BHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761049005 585403972 /nfs/dbraw/zinc/40/39/72/585403972.db2.gz ZTOWFJRWQUFFIO-ZYHUDNBSSA-N 1 0 243.272 3.632 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761050808 585404218 /nfs/dbraw/zinc/40/42/18/585404218.db2.gz CZUUBKUYPTYACS-JTQLQIEISA-N 1 0 237.309 3.697 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761050810 585404149 /nfs/dbraw/zinc/40/41/49/585404149.db2.gz CZUUBKUYPTYACS-SNVBAGLBSA-N 1 0 237.309 3.697 20 0 BHADRO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761080999 585406585 /nfs/dbraw/zinc/40/65/85/585406585.db2.gz FCANVWCMKJTVQP-JLZZUVOBSA-N 1 0 237.346 3.995 20 0 BHADRO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761081001 585406733 /nfs/dbraw/zinc/40/67/33/585406733.db2.gz FCANVWCMKJTVQP-OAUYIBNBSA-N 1 0 237.346 3.995 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085060 585407399 /nfs/dbraw/zinc/40/73/99/585407399.db2.gz AFOOYVFCCCZNED-PXAZEXFGSA-N 1 0 247.341 3.851 20 0 BHADRO c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761085065 585407458 /nfs/dbraw/zinc/40/74/58/585407458.db2.gz AFOOYVFCCCZNED-YVEFUNNKSA-N 1 0 247.341 3.851 20 0 BHADRO c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]43)cc2)cc1 ZINC000761088071 585407722 /nfs/dbraw/zinc/40/77/22/585407722.db2.gz QAUNDGWJODYXGK-MSOLQXFVSA-N 1 0 249.357 3.948 20 0 BHADRO c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[C@H]43)cc2)cc1 ZINC000761088074 585407706 /nfs/dbraw/zinc/40/77/06/585407706.db2.gz QAUNDGWJODYXGK-ZWKOTPCHSA-N 1 0 249.357 3.948 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761089777 585407946 /nfs/dbraw/zinc/40/79/46/585407946.db2.gz GPZBRONRWFKBOA-DFAYQTQMSA-N 1 0 239.721 3.634 20 0 BHADRO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761089783 585408006 /nfs/dbraw/zinc/40/80/06/585408006.db2.gz GPZBRONRWFKBOA-JQEORGNBSA-N 1 0 239.721 3.634 20 0 BHADRO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090172 585408073 /nfs/dbraw/zinc/40/80/73/585408073.db2.gz JPVYSERDJOYVFU-BNOWGMLFSA-N 1 0 235.758 3.885 20 0 BHADRO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090177 585407957 /nfs/dbraw/zinc/40/79/57/585407957.db2.gz JPVYSERDJOYVFU-IACUBPJLSA-N 1 0 235.758 3.885 20 0 BHADRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761090366 585408025 /nfs/dbraw/zinc/40/80/25/585408025.db2.gz JXWUATWZYQDTQH-DZGCQCFKSA-N 1 0 229.367 3.578 20 0 BHADRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761090371 585407981 /nfs/dbraw/zinc/40/79/81/585407981.db2.gz JXWUATWZYQDTQH-HIFRSBDPSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090940 585407867 /nfs/dbraw/zinc/40/78/67/585407867.db2.gz JERCXYCHRUPMKR-HACGYAERSA-N 1 0 237.346 3.995 20 0 BHADRO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090948 585407979 /nfs/dbraw/zinc/40/79/79/585407979.db2.gz JERCXYCHRUPMKR-MRRJBJDNSA-N 1 0 237.346 3.995 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094033 585408686 /nfs/dbraw/zinc/40/86/86/585408686.db2.gz MYARILBVCPLHBI-NFAWXSAZSA-N 1 0 247.407 3.652 20 0 BHADRO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761094035 585408537 /nfs/dbraw/zinc/40/85/37/585408537.db2.gz MYARILBVCPLHBI-VNHYZAJKSA-N 1 0 247.407 3.652 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761094144 585408438 /nfs/dbraw/zinc/40/84/38/585408438.db2.gz NGGLAVMSPWLEKI-CUOATXAZSA-N 1 0 237.293 3.510 20 0 BHADRO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094149 585408596 /nfs/dbraw/zinc/40/85/96/585408596.db2.gz NGGLAVMSPWLEKI-FZQKWOKYSA-N 1 0 237.293 3.510 20 0 BHADRO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761100155 585409009 /nfs/dbraw/zinc/40/90/09/585409009.db2.gz YKAXCFACQAVLBO-PBHICJAKSA-N 1 0 237.346 3.742 20 0 BHADRO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761100164 585409025 /nfs/dbraw/zinc/40/90/25/585409025.db2.gz YKAXCFACQAVLBO-WMLDXEAASA-N 1 0 237.346 3.742 20 0 BHADRO CCCCCC[N@@H+]1CCc2ccsc2C1 ZINC000761124480 585410855 /nfs/dbraw/zinc/41/08/55/585410855.db2.gz RFZZKYQLSPCWBK-UHFFFAOYSA-N 1 0 223.385 3.687 20 0 BHADRO CC[N@H+](CCC1CC1)Cc1cc(C)oc1C ZINC000761225803 585412327 /nfs/dbraw/zinc/41/23/27/585412327.db2.gz IOWNFOFZEHMHRG-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO CC(C)[NH+](CCS[C@H]1C=CCCC1)C(C)C ZINC000762198215 585428789 /nfs/dbraw/zinc/42/87/89/585428789.db2.gz CBSIQFBJOGNRBH-AWEZNQCLSA-N 1 0 241.444 3.947 20 0 BHADRO CC(C)[NH+](CCS[C@@H]1C=CCCC1)C(C)C ZINC000762198216 585428915 /nfs/dbraw/zinc/42/89/15/585428915.db2.gz CBSIQFBJOGNRBH-CQSZACIVSA-N 1 0 241.444 3.947 20 0 BHADRO CCCCSCC[NH+](C(C)C)C(C)C ZINC000762198368 585428801 /nfs/dbraw/zinc/42/88/01/585428801.db2.gz HZEZAPFJKFQCAB-UHFFFAOYSA-N 1 0 217.422 3.639 20 0 BHADRO CC(C)[NH+](CCSC1CCCC1)C(C)C ZINC000762199799 585428819 /nfs/dbraw/zinc/42/88/19/585428819.db2.gz YCNJWHRMQQBQFA-UHFFFAOYSA-N 1 0 229.433 3.781 20 0 BHADRO CC(C)[NH+](CCSC/C=C/Cl)C(C)C ZINC000762204191 585428760 /nfs/dbraw/zinc/42/87/60/585428760.db2.gz RIPJXMGFFMUTPV-AATRIKPKSA-N 1 0 235.824 3.591 20 0 BHADRO CC(C)[NH+](CCSC/C=C\Cl)C(C)C ZINC000762204195 585428781 /nfs/dbraw/zinc/42/87/81/585428781.db2.gz RIPJXMGFFMUTPV-WAYWQWQTSA-N 1 0 235.824 3.591 20 0 BHADRO CCSCCSCC[NH+](C(C)C)C(C)C ZINC000762205209 585429065 /nfs/dbraw/zinc/42/90/65/585429065.db2.gz DXJNYCJTGHXVNV-UHFFFAOYSA-N 1 0 249.489 3.592 20 0 BHADRO CC[NH+](CC)CCS[C@H](C)c1cccs1 ZINC000762482871 585432883 /nfs/dbraw/zinc/43/28/83/585432883.db2.gz ZISZWTDZNHHWJT-LLVKDONJSA-N 1 0 243.441 3.884 20 0 BHADRO CC[NH+](CC)CCS[C@@H](C)c1cccs1 ZINC000762482872 585432812 /nfs/dbraw/zinc/43/28/12/585432812.db2.gz ZISZWTDZNHHWJT-NSHDSACASA-N 1 0 243.441 3.884 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000762621174 585434665 /nfs/dbraw/zinc/43/46/65/585434665.db2.gz FISOHXIJYXWBCJ-GFCCVEGCSA-N 1 0 249.320 3.841 20 0 BHADRO FC(F)(F)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000762621175 585434678 /nfs/dbraw/zinc/43/46/78/585434678.db2.gz FISOHXIJYXWBCJ-LBPRGKRZSA-N 1 0 249.320 3.841 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762634454 585434508 /nfs/dbraw/zinc/43/45/08/585434508.db2.gz PJHOHMDUXHCUPX-APFBBLRHSA-N 1 0 235.758 3.966 20 0 BHADRO Cl/C=C\C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762634483 585434693 /nfs/dbraw/zinc/43/46/93/585434693.db2.gz PJHOHMDUXHCUPX-LBIZBFCRSA-N 1 0 235.758 3.966 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762634486 585434601 /nfs/dbraw/zinc/43/46/01/585434601.db2.gz PJHOHMDUXHCUPX-OAUONFCTSA-N 1 0 235.758 3.966 20 0 BHADRO Cl/C=C/C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762634489 585434598 /nfs/dbraw/zinc/43/45/98/585434598.db2.gz PJHOHMDUXHCUPX-XYYIANASSA-N 1 0 235.758 3.966 20 0 BHADRO CC(C)C(C)(C)SCC[C@H]1CCC[N@@H+]1C ZINC000762977710 585440630 /nfs/dbraw/zinc/44/06/30/585440630.db2.gz AIKGLEGSLJTWGJ-GFCCVEGCSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)C(C)(C)SCC[C@@H]1CCC[N@@H+]1C ZINC000762977721 585440605 /nfs/dbraw/zinc/44/06/05/585440605.db2.gz AIKGLEGSLJTWGJ-LBPRGKRZSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)C(C)(C)SCC[NH+]1CCCCC1 ZINC000762980281 585440830 /nfs/dbraw/zinc/44/08/30/585440830.db2.gz QJLMWWQUCMLQCG-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000763439960 585448298 /nfs/dbraw/zinc/44/82/98/585448298.db2.gz HWZOQHHOGXXIMD-UHFFFAOYSA-N 1 0 247.382 3.775 20 0 BHADRO CC1CCC([N@H+](C)C/C(Cl)=C\Cl)CC1 ZINC000763482724 585448767 /nfs/dbraw/zinc/44/87/67/585448767.db2.gz ZUSDJZXUTGQTAN-JXMROGBWSA-N 1 0 236.186 3.816 20 0 BHADRO CC1CCC([N@H+](C)C/C(Cl)=C/Cl)CC1 ZINC000763482725 585448773 /nfs/dbraw/zinc/44/87/73/585448773.db2.gz ZUSDJZXUTGQTAN-YFHOEESVSA-N 1 0 236.186 3.816 20 0 BHADRO CC[N@H+](C/C(Cl)=C\Cl)C1CCCCC1 ZINC000763487561 585448873 /nfs/dbraw/zinc/44/88/73/585448873.db2.gz TTYZLRAMBZDHNR-CSKARUKUSA-N 1 0 236.186 3.960 20 0 BHADRO CC[N@H+](C/C(Cl)=C/Cl)C1CCCCC1 ZINC000763487563 585448778 /nfs/dbraw/zinc/44/87/78/585448778.db2.gz TTYZLRAMBZDHNR-NTMALXAHSA-N 1 0 236.186 3.960 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C/C(Cl)=C\Cl ZINC000763488301 585448898 /nfs/dbraw/zinc/44/88/98/585448898.db2.gz ZBCADTPRZIXXAM-DHJNVWGISA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C(Cl)=C\Cl ZINC000763488302 585448877 /nfs/dbraw/zinc/44/88/77/585448877.db2.gz ZBCADTPRZIXXAM-LCIINNLCSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C(Cl)=C/Cl ZINC000763488305 585448965 /nfs/dbraw/zinc/44/89/65/585448965.db2.gz ZBCADTPRZIXXAM-UEQOSDTHSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)C/C(Cl)=C/Cl ZINC000763488308 585449011 /nfs/dbraw/zinc/44/90/11/585449011.db2.gz ZBCADTPRZIXXAM-XMZCBSEDSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)C/C(Cl)=C\Cl)C1 ZINC000763489407 585448753 /nfs/dbraw/zinc/44/87/53/585448753.db2.gz APWLLPJHGLVNMC-DHJNVWGISA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)C/C(Cl)=C\Cl)C1 ZINC000763489408 585448996 /nfs/dbraw/zinc/44/89/96/585448996.db2.gz APWLLPJHGLVNMC-LCIINNLCSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@H]([N@H+](C)C/C(Cl)=C/Cl)C1 ZINC000763489409 585449000 /nfs/dbraw/zinc/44/90/00/585449000.db2.gz APWLLPJHGLVNMC-UEQOSDTHSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H]([N@H+](C)C/C(Cl)=C/Cl)C1 ZINC000763489410 585448861 /nfs/dbraw/zinc/44/88/61/585448861.db2.gz APWLLPJHGLVNMC-XMZCBSEDSA-N 1 0 236.186 3.816 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000763492393 585448903 /nfs/dbraw/zinc/44/89/03/585448903.db2.gz HZSAFBIZGUYMMS-JATZPVMKSA-N 1 0 248.197 3.960 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000763492394 585448763 /nfs/dbraw/zinc/44/87/63/585448763.db2.gz HZSAFBIZGUYMMS-KGTBHZDVSA-N 1 0 248.197 3.960 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000763492395 585448986 /nfs/dbraw/zinc/44/89/86/585448986.db2.gz HZSAFBIZGUYMMS-NXIHDVOMSA-N 1 0 248.197 3.960 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000763492397 585448968 /nfs/dbraw/zinc/44/89/68/585448968.db2.gz HZSAFBIZGUYMMS-OBIHZWKSSA-N 1 0 248.197 3.960 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763518393 585449439 /nfs/dbraw/zinc/44/94/39/585449439.db2.gz JZTXJVOVLMLKMG-BRNRAETOSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763518394 585449391 /nfs/dbraw/zinc/44/93/91/585449391.db2.gz JZTXJVOVLMLKMG-HUYFXPKMSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763518397 585449301 /nfs/dbraw/zinc/44/93/01/585449301.db2.gz JZTXJVOVLMLKMG-PFEDMVJOSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763518398 585449090 /nfs/dbraw/zinc/44/90/90/585449090.db2.gz JZTXJVOVLMLKMG-ZJRUKIMVSA-N 1 0 236.186 3.816 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000763533627 585449521 /nfs/dbraw/zinc/44/95/21/585449521.db2.gz WFRLFVDNFLVFCX-BRNRAETOSA-N 1 0 234.170 3.570 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000763533628 585449583 /nfs/dbraw/zinc/44/95/83/585449583.db2.gz WFRLFVDNFLVFCX-HUYFXPKMSA-N 1 0 234.170 3.570 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000763533629 585449650 /nfs/dbraw/zinc/44/96/50/585449650.db2.gz WFRLFVDNFLVFCX-PFEDMVJOSA-N 1 0 234.170 3.570 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000763533630 585449691 /nfs/dbraw/zinc/44/96/91/585449691.db2.gz WFRLFVDNFLVFCX-ZJRUKIMVSA-N 1 0 234.170 3.570 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763534078 585449601 /nfs/dbraw/zinc/44/96/01/585449601.db2.gz XMECMXFZYFZTNM-PCYYEKQGSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763534079 585449537 /nfs/dbraw/zinc/44/95/37/585449537.db2.gz XMECMXFZYFZTNM-RNKPRXRFSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763534080 585449598 /nfs/dbraw/zinc/44/95/98/585449598.db2.gz XMECMXFZYFZTNM-TTZKWOQHSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763534081 585449620 /nfs/dbraw/zinc/44/96/20/585449620.db2.gz XMECMXFZYFZTNM-UJICNMFASA-N 1 0 236.186 3.816 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000763558067 585450783 /nfs/dbraw/zinc/45/07/83/585450783.db2.gz IOMAHDBLIFGJIW-DHZHZOJOSA-N 1 0 248.197 3.962 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000763558070 585450717 /nfs/dbraw/zinc/45/07/17/585450717.db2.gz IOMAHDBLIFGJIW-FLIBITNWSA-N 1 0 248.197 3.962 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763558220 585450690 /nfs/dbraw/zinc/45/06/90/585450690.db2.gz RNFHDZRKBRZUEX-CHPNCVJKSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763558223 585450651 /nfs/dbraw/zinc/45/06/51/585450651.db2.gz RNFHDZRKBRZUEX-OTXQMUPVSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)C[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763558224 585450854 /nfs/dbraw/zinc/45/08/54/585450854.db2.gz RNFHDZRKBRZUEX-OYUORYAFSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)C[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763558227 585450860 /nfs/dbraw/zinc/45/08/60/585450860.db2.gz RNFHDZRKBRZUEX-VUUNSECVSA-N 1 0 236.186 3.673 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCC2(CCCC2)C1 ZINC000763558808 585450699 /nfs/dbraw/zinc/45/06/99/585450699.db2.gz WHBDFDPGFWUJRF-JXMROGBWSA-N 1 0 234.170 3.572 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCC2(CCCC2)C1 ZINC000763558809 585450890 /nfs/dbraw/zinc/45/08/90/585450890.db2.gz WHBDFDPGFWUJRF-YFHOEESVSA-N 1 0 234.170 3.572 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763559608 585450857 /nfs/dbraw/zinc/45/08/57/585450857.db2.gz FCPLCBZRYLJLJO-HIJJYWJESA-N 1 0 236.186 3.960 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763559609 585450879 /nfs/dbraw/zinc/45/08/79/585450879.db2.gz FCPLCBZRYLJLJO-IEHMKBBKSA-N 1 0 236.186 3.960 20 0 BHADRO CC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763559610 585450752 /nfs/dbraw/zinc/45/07/52/585450752.db2.gz FCPLCBZRYLJLJO-RJCSOLBVSA-N 1 0 236.186 3.960 20 0 BHADRO CC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763559611 585450624 /nfs/dbraw/zinc/45/06/24/585450624.db2.gz FCPLCBZRYLJLJO-UQSGXBNBSA-N 1 0 236.186 3.960 20 0 BHADRO Cl/C=C(\Cl)C[NH+]1C2CCCC1CCC2 ZINC000763559686 585450371 /nfs/dbraw/zinc/45/03/71/585450371.db2.gz QIDGLMUWQUQZOL-CLFYSBASSA-N 1 0 234.170 3.712 20 0 BHADRO Cl/C=C(/Cl)C[NH+]1C2CCCC1CCC2 ZINC000763559687 585450179 /nfs/dbraw/zinc/45/01/79/585450179.db2.gz QIDGLMUWQUQZOL-VQHVLOKHSA-N 1 0 234.170 3.712 20 0 BHADRO CC1(C)CCC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000763560814 585450871 /nfs/dbraw/zinc/45/08/71/585450871.db2.gz PDHRGPMBNLSANX-CSKARUKUSA-N 1 0 236.186 3.818 20 0 BHADRO CC1(C)CCC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000763560817 585450814 /nfs/dbraw/zinc/45/08/14/585450814.db2.gz PDHRGPMBNLSANX-NTMALXAHSA-N 1 0 236.186 3.818 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763561040 585450829 /nfs/dbraw/zinc/45/08/29/585450829.db2.gz RFYRKXCILRXOPA-CZHASVRMSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763561043 585450151 /nfs/dbraw/zinc/45/01/51/585450151.db2.gz RFYRKXCILRXOPA-GETOITAFSA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763561046 585450340 /nfs/dbraw/zinc/45/03/40/585450340.db2.gz RFYRKXCILRXOPA-YMQLOLIISA-N 1 0 236.186 3.816 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763561048 585450364 /nfs/dbraw/zinc/45/03/64/585450364.db2.gz RFYRKXCILRXOPA-ZDQCJSPPSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763561453 585450316 /nfs/dbraw/zinc/45/03/16/585450316.db2.gz IPRFRYAQRCXUKP-BRNRAETOSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763561454 585450186 /nfs/dbraw/zinc/45/01/86/585450186.db2.gz IPRFRYAQRCXUKP-HUYFXPKMSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000763561458 585450200 /nfs/dbraw/zinc/45/02/00/585450200.db2.gz IPRFRYAQRCXUKP-PFEDMVJOSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000763561460 585450359 /nfs/dbraw/zinc/45/03/59/585450359.db2.gz IPRFRYAQRCXUKP-ZJRUKIMVSA-N 1 0 236.186 3.816 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000763562477 585450685 /nfs/dbraw/zinc/45/06/85/585450685.db2.gz MXGJMQXSQMLJRS-DFYQSJSGSA-N 1 0 236.186 3.818 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000763562478 585450780 /nfs/dbraw/zinc/45/07/80/585450780.db2.gz MXGJMQXSQMLJRS-MXBGMFSPSA-N 1 0 236.186 3.818 20 0 BHADRO CC[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000763562482 585450696 /nfs/dbraw/zinc/45/06/96/585450696.db2.gz MXGJMQXSQMLJRS-NGPGYTDTSA-N 1 0 236.186 3.818 20 0 BHADRO CC[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000763562483 585450773 /nfs/dbraw/zinc/45/07/73/585450773.db2.gz MXGJMQXSQMLJRS-UBYNWHESSA-N 1 0 236.186 3.818 20 0 BHADRO Cl/C=C(\Cl)C[NH+]1CCC2(CCCC2)CC1 ZINC000763563006 585450658 /nfs/dbraw/zinc/45/06/58/585450658.db2.gz ZUUKNGPSKQQZOE-LUAWRHEFSA-N 1 0 248.197 3.962 20 0 BHADRO Cl/C=C(/Cl)C[NH+]1CCC2(CCCC2)CC1 ZINC000763563009 585450645 /nfs/dbraw/zinc/45/06/45/585450645.db2.gz ZUUKNGPSKQQZOE-PKNBQFBNSA-N 1 0 248.197 3.962 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C/C(Cl)=C/Cl ZINC000763564861 585451081 /nfs/dbraw/zinc/45/10/81/585451081.db2.gz XCLASVPZSIIFAQ-AUNDHUFDSA-N 1 0 248.197 3.958 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C/C(Cl)=C\Cl ZINC000763564865 585450992 /nfs/dbraw/zinc/45/09/92/585450992.db2.gz XCLASVPZSIIFAQ-LRFOQYRPSA-N 1 0 248.197 3.958 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C/C(Cl)=C\Cl ZINC000763564866 585451039 /nfs/dbraw/zinc/45/10/39/585451039.db2.gz XCLASVPZSIIFAQ-OPUTXYDFSA-N 1 0 248.197 3.958 20 0 BHADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C/C(Cl)=C/Cl ZINC000763564870 585451142 /nfs/dbraw/zinc/45/11/42/585451142.db2.gz XCLASVPZSIIFAQ-ZBFSUVIJSA-N 1 0 248.197 3.958 20 0 BHADRO CCC1(CC)CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763587635 585451134 /nfs/dbraw/zinc/45/11/34/585451134.db2.gz DQDYPTPWWFVCMA-JXMROGBWSA-N 1 0 236.186 3.818 20 0 BHADRO CCC1(CC)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763587636 585450989 /nfs/dbraw/zinc/45/09/89/585450989.db2.gz DQDYPTPWWFVCMA-YFHOEESVSA-N 1 0 236.186 3.818 20 0 BHADRO Cc1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c(C)o1 ZINC000763646127 585451492 /nfs/dbraw/zinc/45/14/92/585451492.db2.gz IZCKQTKVQGICQT-LLVKDONJSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(C)o1 ZINC000763646128 585451732 /nfs/dbraw/zinc/45/17/32/585451732.db2.gz IZCKQTKVQGICQT-NSHDSACASA-N 1 0 233.355 3.661 20 0 BHADRO CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000764475899 585466323 /nfs/dbraw/zinc/46/63/23/585466323.db2.gz VTMYPTHYPADSSI-CVEARBPZSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000764475912 585466261 /nfs/dbraw/zinc/46/62/61/585466261.db2.gz VTMYPTHYPADSSI-HOTGVXAUSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000764475914 585466236 /nfs/dbraw/zinc/46/62/36/585466236.db2.gz VTMYPTHYPADSSI-HZPDHXFCSA-N 1 0 231.383 3.788 20 0 BHADRO CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000764475917 584927080 /nfs/dbraw/zinc/92/70/80/584927080.db2.gz VTMYPTHYPADSSI-JKSUJKDBSA-N 1 0 231.383 3.788 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000764506034 585466907 /nfs/dbraw/zinc/46/69/07/585466907.db2.gz UFBOIUAFWZIVJA-DZGCQCFKSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000764506037 585467113 /nfs/dbraw/zinc/46/71/13/585467113.db2.gz UFBOIUAFWZIVJA-HIFRSBDPSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000764506040 585467020 /nfs/dbraw/zinc/46/70/20/585467020.db2.gz UFBOIUAFWZIVJA-UKRRQHHQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000764506044 585467073 /nfs/dbraw/zinc/46/70/73/585467073.db2.gz UFBOIUAFWZIVJA-ZFWWWQNUSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000764518456 585467329 /nfs/dbraw/zinc/46/73/29/585467329.db2.gz DKYSFKJZXWKGMJ-HNNXBMFYSA-N 1 0 247.382 3.852 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000764518457 585467430 /nfs/dbraw/zinc/46/74/30/585467430.db2.gz DKYSFKJZXWKGMJ-OAHLLOKOSA-N 1 0 247.382 3.852 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000764519667 585467337 /nfs/dbraw/zinc/46/73/37/585467337.db2.gz VIFZTBBJQUSHAZ-CYBMUJFWSA-N 1 0 247.382 3.948 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000764519668 585467221 /nfs/dbraw/zinc/46/72/21/585467221.db2.gz VIFZTBBJQUSHAZ-ZDUSSCGKSA-N 1 0 247.382 3.948 20 0 BHADRO CCC(N)=[NH+]OCc1c(C)ccc2ccccc21 ZINC000764550854 585467873 /nfs/dbraw/zinc/46/78/73/585467873.db2.gz WWFHHPKSJBNQDF-UHFFFAOYSA-N 1 0 242.322 3.557 20 0 BHADRO C[C@@H]([NH2+]CCSCc1ccccc1)C1(C)CC1 ZINC000764614346 585469260 /nfs/dbraw/zinc/46/92/60/585469260.db2.gz BCAJHAZJOZUIMN-CYBMUJFWSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@H]([NH2+]CCSCc1ccccc1)C1(C)CC1 ZINC000764614358 585469079 /nfs/dbraw/zinc/46/90/79/585469079.db2.gz BCAJHAZJOZUIMN-ZDUSSCGKSA-N 1 0 249.423 3.698 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)o1 ZINC000764772228 585473131 /nfs/dbraw/zinc/47/31/31/585473131.db2.gz ZRHPKOUWNVLQMK-NEPJUHHUSA-N 1 0 247.338 3.717 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)o1 ZINC000764772229 585472955 /nfs/dbraw/zinc/47/29/55/585472955.db2.gz ZRHPKOUWNVLQMK-NWDGAFQWSA-N 1 0 247.338 3.717 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)o1 ZINC000764772231 585473038 /nfs/dbraw/zinc/47/30/38/585473038.db2.gz ZRHPKOUWNVLQMK-RYUDHWBXSA-N 1 0 247.338 3.717 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)o1 ZINC000764772232 585473135 /nfs/dbraw/zinc/47/31/35/585473135.db2.gz ZRHPKOUWNVLQMK-VXGBXAGGSA-N 1 0 247.338 3.717 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000764772848 585473062 /nfs/dbraw/zinc/47/30/62/585473062.db2.gz DMYLGXITUDOJBV-KBPBESRZSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000764772850 585473026 /nfs/dbraw/zinc/47/30/26/585473026.db2.gz DMYLGXITUDOJBV-KGLIPLIRSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000764772851 585473098 /nfs/dbraw/zinc/47/30/98/585473098.db2.gz DMYLGXITUDOJBV-UONOGXRCSA-N 1 0 235.371 3.935 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000764772853 585473069 /nfs/dbraw/zinc/47/30/69/585473069.db2.gz DMYLGXITUDOJBV-ZIAGYGMSSA-N 1 0 235.371 3.935 20 0 BHADRO C[C@H]([NH2+]CCCCOc1ccccc1)C1(C)CC1 ZINC000764789746 585473563 /nfs/dbraw/zinc/47/35/63/585473563.db2.gz UACCBIHYRVAZHK-AWEZNQCLSA-N 1 0 247.382 3.624 20 0 BHADRO C[C@@H]([NH2+]CCCCOc1ccccc1)C1(C)CC1 ZINC000764789748 585473650 /nfs/dbraw/zinc/47/36/50/585473650.db2.gz UACCBIHYRVAZHK-CQSZACIVSA-N 1 0 247.382 3.624 20 0 BHADRO CC(C)OCc1ccccc1C[NH2+]C1CCCC1 ZINC000765336021 585484078 /nfs/dbraw/zinc/48/40/78/585484078.db2.gz DAKOSFWQYZYCAL-UHFFFAOYSA-N 1 0 247.382 3.644 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000765347712 585484227 /nfs/dbraw/zinc/48/42/27/585484227.db2.gz FVCZTNUQLPCBJF-INIZCTEOSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000765347714 585484328 /nfs/dbraw/zinc/48/43/28/585484328.db2.gz FVCZTNUQLPCBJF-MRXNPFEDSA-N 1 0 241.378 3.761 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@H](C)c1cccc(F)c1)C1CC1 ZINC000765357349 585484138 /nfs/dbraw/zinc/48/41/38/585484138.db2.gz BKKATRBNRGEWFK-BLLLJJGKSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@H](C)c1cccc(F)c1)C1CC1 ZINC000765357350 585484240 /nfs/dbraw/zinc/48/42/40/585484240.db2.gz BKKATRBNRGEWFK-LRDDRELGSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC000765357351 585484204 /nfs/dbraw/zinc/48/42/04/585484204.db2.gz BKKATRBNRGEWFK-MLGOLLRUSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC000765357385 585484185 /nfs/dbraw/zinc/48/41/85/585484185.db2.gz BKKATRBNRGEWFK-WBMJQRKESA-N 1 0 249.373 3.953 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccoc1 ZINC000765357606 585484155 /nfs/dbraw/zinc/48/41/55/585484155.db2.gz GZJGZEJMNUUFPL-NEPJUHHUSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1cccc(F)c1)c1ccoc1 ZINC000765357607 585484332 /nfs/dbraw/zinc/48/43/32/585484332.db2.gz GZJGZEJMNUUFPL-NWDGAFQWSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)c1cccc(F)c1 ZINC000765357608 585484212 /nfs/dbraw/zinc/48/42/12/585484212.db2.gz GZJGZEJMNUUFPL-RYUDHWBXSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccoc1 ZINC000765357609 585484319 /nfs/dbraw/zinc/48/43/19/585484319.db2.gz GZJGZEJMNUUFPL-VXGBXAGGSA-N 1 0 247.313 3.873 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC000765357620 585484257 /nfs/dbraw/zinc/48/42/57/585484257.db2.gz HNWAVEIAZSBHOB-ABAIWWIYSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C1CC1 ZINC000765357621 585484255 /nfs/dbraw/zinc/48/42/55/585484255.db2.gz HNWAVEIAZSBHOB-IAQYHMDHSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1cccc(F)c1)C1CC1 ZINC000765357622 585484145 /nfs/dbraw/zinc/48/41/45/585484145.db2.gz HNWAVEIAZSBHOB-NHYWBVRUSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1cccc(F)c1)C1CC1 ZINC000765357623 585484129 /nfs/dbraw/zinc/48/41/29/585484129.db2.gz HNWAVEIAZSBHOB-XHDPSFHLSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1cccc(F)c1 ZINC000765358448 585484189 /nfs/dbraw/zinc/48/41/89/585484189.db2.gz FMQLVWORSFTBEW-NEPJUHHUSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)c1cccc(F)c1 ZINC000765358449 585484121 /nfs/dbraw/zinc/48/41/21/585484121.db2.gz FMQLVWORSFTBEW-NWDGAFQWSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1cccc(F)c1 ZINC000765358450 585484131 /nfs/dbraw/zinc/48/41/31/585484131.db2.gz FMQLVWORSFTBEW-RYUDHWBXSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C(C)(C)C ZINC000765358451 585484216 /nfs/dbraw/zinc/48/42/16/585484216.db2.gz FMQLVWORSFTBEW-VXGBXAGGSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CCC1)c1cccc(F)c1 ZINC000765358464 585484195 /nfs/dbraw/zinc/48/41/95/585484195.db2.gz FSTMCPAJSFZRFE-NEPJUHHUSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CCC1)c1cccc(F)c1 ZINC000765358465 585484279 /nfs/dbraw/zinc/48/42/79/585484279.db2.gz FSTMCPAJSFZRFE-NWDGAFQWSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)c1cccc(F)c1 ZINC000765358466 585484333 /nfs/dbraw/zinc/48/43/33/585484333.db2.gz FSTMCPAJSFZRFE-RYUDHWBXSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C1CCC1 ZINC000765358467 585484172 /nfs/dbraw/zinc/48/41/72/585484172.db2.gz FSTMCPAJSFZRFE-VXGBXAGGSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C(C)C ZINC000765359474 585484215 /nfs/dbraw/zinc/48/42/15/585484215.db2.gz LITXLQIYMJDLDK-DOMZBBRYSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)C(C)C ZINC000765359475 585484149 /nfs/dbraw/zinc/48/41/49/585484149.db2.gz LITXLQIYMJDLDK-IUODEOHRSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@@H]([NH2+]C[C@H](C)c1cccc(F)c1)C(C)C ZINC000765359476 585484125 /nfs/dbraw/zinc/48/41/25/585484125.db2.gz LITXLQIYMJDLDK-SWLSCSKDSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H]([NH2+]C[C@H](C)c1cccc(F)c1)C(C)C ZINC000765359477 585484322 /nfs/dbraw/zinc/48/43/22/585484322.db2.gz LITXLQIYMJDLDK-WFASDCNBSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360900 585484170 /nfs/dbraw/zinc/48/41/70/585484170.db2.gz SWXNEXUGHPOVRM-NEPJUHHUSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360906 585484132 /nfs/dbraw/zinc/48/41/32/585484132.db2.gz SWXNEXUGHPOVRM-NWDGAFQWSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)c1cccc(F)c1 ZINC000765360912 585484191 /nfs/dbraw/zinc/48/41/91/585484191.db2.gz SWXNEXUGHPOVRM-RYUDHWBXSA-N 1 0 247.313 3.873 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360916 584937073 /nfs/dbraw/zinc/93/70/73/584937073.db2.gz SWXNEXUGHPOVRM-VXGBXAGGSA-N 1 0 247.313 3.873 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000765360976 585484271 /nfs/dbraw/zinc/48/42/71/585484271.db2.gz UHVUZOQHGXBGRW-AVGNSLFASA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000765360979 585484245 /nfs/dbraw/zinc/48/42/45/585484245.db2.gz UHVUZOQHGXBGRW-RWMBFGLXSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000765360980 585484321 /nfs/dbraw/zinc/48/43/21/585484321.db2.gz UHVUZOQHGXBGRW-XQQFMLRXSA-N 1 0 237.362 3.953 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000765360983 585484335 /nfs/dbraw/zinc/48/43/35/585484335.db2.gz UHVUZOQHGXBGRW-YNEHKIRRSA-N 1 0 237.362 3.953 20 0 BHADRO C[C@H](C[NH2+]C(C1CC1)C1CC1)c1cccc(F)c1 ZINC000765361911 585484268 /nfs/dbraw/zinc/48/42/68/585484268.db2.gz ZZMXDEWCZXWWCG-LLVKDONJSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)c1cccc(F)c1 ZINC000765361913 585484174 /nfs/dbraw/zinc/48/41/74/585484174.db2.gz ZZMXDEWCZXWWCG-NSHDSACASA-N 1 0 247.357 3.707 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](C)C1CC1 ZINC000765391380 585485525 /nfs/dbraw/zinc/48/55/25/585485525.db2.gz DSXDNKYTPSOZAH-BLLLJJGKSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](C)C1CC1 ZINC000765391385 585485413 /nfs/dbraw/zinc/48/54/13/585485413.db2.gz DSXDNKYTPSOZAH-LRDDRELGSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](C)C1CC1 ZINC000765391386 585485376 /nfs/dbraw/zinc/48/53/76/585485376.db2.gz DSXDNKYTPSOZAH-MLGOLLRUSA-N 1 0 229.367 3.618 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](C)C1CC1 ZINC000765391388 585485387 /nfs/dbraw/zinc/48/53/87/585485387.db2.gz DSXDNKYTPSOZAH-WBMJQRKESA-N 1 0 229.367 3.618 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000765394941 585485350 /nfs/dbraw/zinc/48/53/50/585485350.db2.gz QUZUNHYVVVTMAG-CHWSQXEVSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000765394943 585485361 /nfs/dbraw/zinc/48/53/61/585485361.db2.gz QUZUNHYVVVTMAG-OLZOCXBDSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000765394945 585485435 /nfs/dbraw/zinc/48/54/35/585485435.db2.gz QUZUNHYVVVTMAG-QWHCGFSZSA-N 1 0 247.382 3.782 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000765394947 585485489 /nfs/dbraw/zinc/48/54/89/585485489.db2.gz QUZUNHYVVVTMAG-STQMWFEESA-N 1 0 247.382 3.782 20 0 BHADRO CC[C@H]([NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000765401611 585485588 /nfs/dbraw/zinc/48/55/88/585485588.db2.gz ADLXGODJALQYHP-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]([NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000765401616 585485548 /nfs/dbraw/zinc/48/55/48/585485548.db2.gz ADLXGODJALQYHP-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000765402771 585485541 /nfs/dbraw/zinc/48/55/41/585485541.db2.gz GUCWBNKWOFAAGN-GFCCVEGCSA-N 1 0 228.339 3.513 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000765402773 585485741 /nfs/dbraw/zinc/48/57/41/585485741.db2.gz GUCWBNKWOFAAGN-LBPRGKRZSA-N 1 0 228.339 3.513 20 0 BHADRO C[C@@H]([NH2+]Cc1nccc2ccccc21)C1(C)CC1 ZINC000765407017 585485698 /nfs/dbraw/zinc/48/56/98/585485698.db2.gz ZFQAOSZDKTVMAI-GFCCVEGCSA-N 1 0 240.350 3.513 20 0 BHADRO C[C@H]([NH2+]Cc1nccc2ccccc21)C1(C)CC1 ZINC000765407020 585485662 /nfs/dbraw/zinc/48/56/62/585485662.db2.gz ZFQAOSZDKTVMAI-LBPRGKRZSA-N 1 0 240.350 3.513 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000765426929 585486254 /nfs/dbraw/zinc/48/62/54/585486254.db2.gz JESOARHBAJRRRQ-CWRNSKLLSA-N 1 0 247.382 3.522 20 0 BHADRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000765426930 585486375 /nfs/dbraw/zinc/48/63/75/585486375.db2.gz JESOARHBAJRRRQ-VNQPRFMTSA-N 1 0 247.382 3.522 20 0 BHADRO COc1ccc2c(NC3CCCC3)cc[nH+]c2c1 ZINC000765450696 585486747 /nfs/dbraw/zinc/48/67/47/585486747.db2.gz RCLBLXHTSOXEHK-UHFFFAOYSA-N 1 0 242.322 3.598 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000765456061 585486906 /nfs/dbraw/zinc/48/69/06/585486906.db2.gz NMLCIHOYZQKLSZ-IPYPFGDCSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000765456062 585486881 /nfs/dbraw/zinc/48/68/81/585486881.db2.gz NMLCIHOYZQKLSZ-KCQAQPDRSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000765456063 585487093 /nfs/dbraw/zinc/48/70/93/585487093.db2.gz NMLCIHOYZQKLSZ-VNHYZAJKSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000765456064 585486876 /nfs/dbraw/zinc/48/68/76/585486876.db2.gz NMLCIHOYZQKLSZ-YDHLFZDLSA-N 1 0 247.382 3.925 20 0 BHADRO Cc1ccc(C[N@@H+](C)C2CCCCCCC2)cn1 ZINC000765582025 585490174 /nfs/dbraw/zinc/49/01/74/585490174.db2.gz NPHGHHQVXAQWAY-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1ccc(C[NH+]2CCC(CC(C)C)CC2)cn1 ZINC000765591553 585490959 /nfs/dbraw/zinc/49/09/59/585490959.db2.gz XRQFFWYSHHUXEZ-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccn1 ZINC000765734692 585492363 /nfs/dbraw/zinc/49/23/63/585492363.db2.gz CKYZQUYWIBKVQR-GUTXKFCHSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000765734700 585492360 /nfs/dbraw/zinc/49/23/60/585492360.db2.gz CKYZQUYWIBKVQR-IPYPFGDCSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000765734701 585492233 /nfs/dbraw/zinc/49/22/33/585492233.db2.gz CKYZQUYWIBKVQR-NFAWXSAZSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccn1 ZINC000765734702 585492277 /nfs/dbraw/zinc/49/22/77/585492277.db2.gz CKYZQUYWIBKVQR-YDHLFZDLSA-N 1 0 232.371 3.701 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000765758030 585492678 /nfs/dbraw/zinc/49/26/78/585492678.db2.gz ZWJGRUJYFUPEFW-KBPBESRZSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000765758031 585492440 /nfs/dbraw/zinc/49/24/40/585492440.db2.gz ZWJGRUJYFUPEFW-KGLIPLIRSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000765758032 585492555 /nfs/dbraw/zinc/49/25/55/585492555.db2.gz ZWJGRUJYFUPEFW-UONOGXRCSA-N 1 0 249.398 3.882 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000765758033 585492419 /nfs/dbraw/zinc/49/24/19/585492419.db2.gz ZWJGRUJYFUPEFW-ZIAGYGMSSA-N 1 0 249.398 3.882 20 0 BHADRO CC[C@H]([NH2+]Cc1ccccc1N(C)CC)C(C)C ZINC000765849028 585493377 /nfs/dbraw/zinc/49/33/77/585493377.db2.gz MDJVJZXWNGWZBV-HNNXBMFYSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccccc1N(C)CC)C(C)C ZINC000765849034 585493317 /nfs/dbraw/zinc/49/33/17/585493317.db2.gz MDJVJZXWNGWZBV-OAHLLOKOSA-N 1 0 248.414 3.667 20 0 BHADRO CCN(C)c1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000765850196 585493340 /nfs/dbraw/zinc/49/33/40/585493340.db2.gz SBQHVTKDKJWAMG-CYBMUJFWSA-N 1 0 248.414 3.667 20 0 BHADRO CCN(C)c1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000765850197 585493195 /nfs/dbraw/zinc/49/31/95/585493195.db2.gz SBQHVTKDKJWAMG-ZDUSSCGKSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)CC ZINC000765850391 585493349 /nfs/dbraw/zinc/49/33/49/585493349.db2.gz UNPOWVQDPPDMLM-KBPBESRZSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)CC ZINC000765850392 585493198 /nfs/dbraw/zinc/49/31/98/585493198.db2.gz UNPOWVQDPPDMLM-KGLIPLIRSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)CC ZINC000765850394 585493218 /nfs/dbraw/zinc/49/32/18/585493218.db2.gz UNPOWVQDPPDMLM-UONOGXRCSA-N 1 0 248.414 3.667 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)CC ZINC000765850395 585493361 /nfs/dbraw/zinc/49/33/61/585493361.db2.gz UNPOWVQDPPDMLM-ZIAGYGMSSA-N 1 0 248.414 3.667 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000765904280 585493785 /nfs/dbraw/zinc/49/37/85/585493785.db2.gz MKDGHVGLQLIYFA-BBRMVZONSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000765904295 585493667 /nfs/dbraw/zinc/49/36/67/585493667.db2.gz MKDGHVGLQLIYFA-CJNGLKHVSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000765904299 585493738 /nfs/dbraw/zinc/49/37/38/585493738.db2.gz MKDGHVGLQLIYFA-CZUORRHYSA-N 1 0 243.394 3.885 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000765904302 585493762 /nfs/dbraw/zinc/49/37/62/585493762.db2.gz MKDGHVGLQLIYFA-XJKSGUPXSA-N 1 0 243.394 3.885 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000765905291 585493647 /nfs/dbraw/zinc/49/36/47/585493647.db2.gz ONGGQMSZQKJOKK-DZGCQCFKSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000765905294 585493653 /nfs/dbraw/zinc/49/36/53/585493653.db2.gz ONGGQMSZQKJOKK-HIFRSBDPSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000765905297 585493650 /nfs/dbraw/zinc/49/36/50/585493650.db2.gz ONGGQMSZQKJOKK-UKRRQHHQSA-N 1 0 231.383 3.741 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000765905300 585493731 /nfs/dbraw/zinc/49/37/31/585493731.db2.gz ONGGQMSZQKJOKK-ZFWWWQNUSA-N 1 0 231.383 3.741 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+]C1CCCCC1 ZINC000765908155 585493629 /nfs/dbraw/zinc/49/36/29/585493629.db2.gz YPVVDFNKFJKWAT-AWEZNQCLSA-N 1 0 229.367 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CCCCC1 ZINC000765908217 585493796 /nfs/dbraw/zinc/49/37/96/585493796.db2.gz YPVVDFNKFJKWAT-CQSZACIVSA-N 1 0 229.367 3.639 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000765928983 585494116 /nfs/dbraw/zinc/49/41/16/585494116.db2.gz RQCSHQLKBKGYNJ-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000765928984 585493990 /nfs/dbraw/zinc/49/39/90/585493990.db2.gz RQCSHQLKBKGYNJ-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO CC(C)CCCC[NH2+]CCCC1CCOCC1 ZINC000765938275 585493974 /nfs/dbraw/zinc/49/39/74/585493974.db2.gz ZOILJQHIVKENQV-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCC[C@H]([NH2+][C@H]1CCCOC1)C(C)(C)C ZINC000766013714 585496089 /nfs/dbraw/zinc/49/60/89/585496089.db2.gz NBTFGROKGATYES-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H]1CCCOC1)C(C)(C)C ZINC000766013715 585496016 /nfs/dbraw/zinc/49/60/16/585496016.db2.gz NBTFGROKGATYES-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H]1CCCOC1)C(C)(C)C ZINC000766013717 585495959 /nfs/dbraw/zinc/49/59/59/585495959.db2.gz NBTFGROKGATYES-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H]1CCCOC1)C(C)(C)C ZINC000766013719 585496014 /nfs/dbraw/zinc/49/60/14/585496014.db2.gz NBTFGROKGATYES-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO FCCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000766016331 585496129 /nfs/dbraw/zinc/49/61/29/585496129.db2.gz ZQZQRVUBIORMGU-UHFFFAOYSA-N 1 0 227.367 3.638 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000766019142 585496062 /nfs/dbraw/zinc/49/60/62/585496062.db2.gz QYEJQJUCTSVYKQ-DVOMOZLQSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000766019144 585495986 /nfs/dbraw/zinc/49/59/86/585495986.db2.gz QYEJQJUCTSVYKQ-IOASZLSFSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000766019146 585496038 /nfs/dbraw/zinc/49/60/38/585496038.db2.gz QYEJQJUCTSVYKQ-WWGRRREGSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000766019148 585496095 /nfs/dbraw/zinc/49/60/95/585496095.db2.gz QYEJQJUCTSVYKQ-XJKCOSOUSA-N 1 0 249.373 3.925 20 0 BHADRO Cc1cc(C)c([C@H](C)[N@H+](C)CCCF)c(C)c1 ZINC000766025675 585496385 /nfs/dbraw/zinc/49/63/85/585496385.db2.gz BFLVAEDJWNQNEX-AWEZNQCLSA-N 1 0 237.362 3.964 20 0 BHADRO Cc1cc(C)c([C@@H](C)[N@H+](C)CCCF)c(C)c1 ZINC000766025683 585496214 /nfs/dbraw/zinc/49/62/14/585496214.db2.gz BFLVAEDJWNQNEX-CQSZACIVSA-N 1 0 237.362 3.964 20 0 BHADRO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCF ZINC000766028970 585496460 /nfs/dbraw/zinc/49/64/60/585496460.db2.gz WXQQWHXLNNESQW-CYBMUJFWSA-N 1 0 227.298 3.568 20 0 BHADRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCF ZINC000766028972 585496456 /nfs/dbraw/zinc/49/64/56/585496456.db2.gz WXQQWHXLNNESQW-ZDUSSCGKSA-N 1 0 227.298 3.568 20 0 BHADRO CSCCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766075897 585497197 /nfs/dbraw/zinc/49/71/97/585497197.db2.gz NAKXATFYTIVFHU-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CSCCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766075903 585497256 /nfs/dbraw/zinc/49/72/56/585497256.db2.gz NAKXATFYTIVFHU-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000766081063 585497324 /nfs/dbraw/zinc/49/73/24/585497324.db2.gz JUWWNLHZAQYCLF-IPYPFGDCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000766081064 585497183 /nfs/dbraw/zinc/49/71/83/585497183.db2.gz JUWWNLHZAQYCLF-NFAWXSAZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000766081065 585497390 /nfs/dbraw/zinc/49/73/90/585497390.db2.gz JUWWNLHZAQYCLF-UMVBOHGHSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000766081066 585497365 /nfs/dbraw/zinc/49/73/65/585497365.db2.gz JUWWNLHZAQYCLF-VNHYZAJKSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H](C)CC1CCC1)c1ccccn1 ZINC000766081254 585497346 /nfs/dbraw/zinc/49/73/46/585497346.db2.gz KWOOAKXOBUNNRF-BBRMVZONSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@H]([NH2+][C@H](C)CC1CCC1)c1ccccn1 ZINC000766081300 585497317 /nfs/dbraw/zinc/49/73/17/585497317.db2.gz KWOOAKXOBUNNRF-CJNGLKHVSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H](C)CC1CCC1)c1ccccn1 ZINC000766081304 585497211 /nfs/dbraw/zinc/49/72/11/585497211.db2.gz KWOOAKXOBUNNRF-CZUORRHYSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccccn1 ZINC000766081309 585497191 /nfs/dbraw/zinc/49/71/91/585497191.db2.gz KWOOAKXOBUNNRF-XJKSGUPXSA-N 1 0 246.398 3.947 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766082925 585497219 /nfs/dbraw/zinc/49/72/19/585497219.db2.gz HZZOMVPCVKWYCW-DOMZBBRYSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766082936 585497371 /nfs/dbraw/zinc/49/73/71/585497371.db2.gz HZZOMVPCVKWYCW-IUODEOHRSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766082939 585497352 /nfs/dbraw/zinc/49/73/52/585497352.db2.gz HZZOMVPCVKWYCW-SWLSCSKDSA-N 1 0 249.423 3.714 20 0 BHADRO CSCC[C@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766082943 585497303 /nfs/dbraw/zinc/49/73/03/585497303.db2.gz HZZOMVPCVKWYCW-WFASDCNBSA-N 1 0 249.423 3.714 20 0 BHADRO CC(C)[C@H]([NH2+]C1CCCCC1)c1ccccn1 ZINC000766083014 585497533 /nfs/dbraw/zinc/49/75/33/585497533.db2.gz VDJUNTXGALJQBL-HNNXBMFYSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CCCCC1)c1ccccn1 ZINC000766083015 585497501 /nfs/dbraw/zinc/49/75/01/585497501.db2.gz VDJUNTXGALJQBL-OAHLLOKOSA-N 1 0 232.371 3.701 20 0 BHADRO CC[C@H]([NH2+]CCCCC(C)C)C1CCOCC1 ZINC000766118408 585497756 /nfs/dbraw/zinc/49/77/56/585497756.db2.gz FOXUHZCPJGCWCI-HNNXBMFYSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CCCCC(C)C)C1CCOCC1 ZINC000766118410 585497795 /nfs/dbraw/zinc/49/77/95/585497795.db2.gz FOXUHZCPJGCWCI-OAHLLOKOSA-N 1 0 241.419 3.608 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+]C2CCCC2)cc1 ZINC000766161692 585498383 /nfs/dbraw/zinc/49/83/83/585498383.db2.gz VUZGDRFLRFRAOE-CYBMUJFWSA-N 1 0 247.382 3.721 20 0 BHADRO COc1ccc([C@@H](C)CC[NH2+]C2CCCC2)cc1 ZINC000766161698 585498520 /nfs/dbraw/zinc/49/85/20/585498520.db2.gz VUZGDRFLRFRAOE-ZDUSSCGKSA-N 1 0 247.382 3.721 20 0 BHADRO CCCCCC[NH+]1CCC(C(F)F)CC1 ZINC000766190728 585498834 /nfs/dbraw/zinc/49/88/34/585498834.db2.gz PTYGSBGOYQKFIV-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO CCC(CC)c1cc(C[NH2+]C2CCCC2)on1 ZINC000766192707 585498809 /nfs/dbraw/zinc/49/88/09/585498809.db2.gz IWJXDVOJISNHNS-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000766209886 585498675 /nfs/dbraw/zinc/49/86/75/585498675.db2.gz OYJFEIUMAGEUER-AWEZNQCLSA-N 1 0 249.398 3.835 20 0 BHADRO CCCCCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000766209888 585498734 /nfs/dbraw/zinc/49/87/34/585498734.db2.gz OYJFEIUMAGEUER-CQSZACIVSA-N 1 0 249.398 3.835 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000766213352 585499105 /nfs/dbraw/zinc/49/91/05/585499105.db2.gz ONJYSQJPJKGPSU-HNNXBMFYSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C(C)C)C1CC1 ZINC000766213364 585498921 /nfs/dbraw/zinc/49/89/21/585498921.db2.gz ONJYSQJPJKGPSU-OAHLLOKOSA-N 1 0 235.346 3.658 20 0 BHADRO C[C@H](C[NH2+]CC1(C)CCC1)c1cccc(F)c1 ZINC000766213794 585499098 /nfs/dbraw/zinc/49/90/98/585499098.db2.gz KKCSIPWGFUCIIM-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](C[NH2+]CC1(C)CCC1)c1cccc(F)c1 ZINC000766213797 585499009 /nfs/dbraw/zinc/49/90/09/585499009.db2.gz KKCSIPWGFUCIIM-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCNc1ccccc1 ZINC000766214962 585499039 /nfs/dbraw/zinc/49/90/39/585499039.db2.gz UVXAOELZQTYJRA-DZGCQCFKSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCNc1ccccc1 ZINC000766214963 585498965 /nfs/dbraw/zinc/49/89/65/585498965.db2.gz UVXAOELZQTYJRA-HIFRSBDPSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCNc1ccccc1 ZINC000766214964 585499096 /nfs/dbraw/zinc/49/90/96/585499096.db2.gz UVXAOELZQTYJRA-UKRRQHHQSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCNc1ccccc1 ZINC000766214966 585499071 /nfs/dbraw/zinc/49/90/71/585499071.db2.gz UVXAOELZQTYJRA-ZFWWWQNUSA-N 1 0 246.398 3.513 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C)CC1CCC1 ZINC000766215152 585498940 /nfs/dbraw/zinc/49/89/40/585498940.db2.gz FAEGWJBRZNCRDD-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C)CC1CCC1 ZINC000766215153 585498964 /nfs/dbraw/zinc/49/89/64/585498964.db2.gz FAEGWJBRZNCRDD-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(OCCC[NH2+]CC2(C)CCC2)c1 ZINC000766215420 585498903 /nfs/dbraw/zinc/49/89/03/585498903.db2.gz YNJAFTJJYYXSLR-UHFFFAOYSA-N 1 0 247.382 3.544 20 0 BHADRO FC(F)(F)C1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000766334084 585501153 /nfs/dbraw/zinc/50/11/53/585501153.db2.gz WVQFBBPMHQTCSU-UHFFFAOYSA-N 1 0 247.304 3.640 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766362839 585501424 /nfs/dbraw/zinc/50/14/24/585501424.db2.gz YPGXMCJJDCMHIN-AWEZNQCLSA-N 1 0 249.423 3.714 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766362840 585501563 /nfs/dbraw/zinc/50/15/63/585501563.db2.gz YPGXMCJJDCMHIN-CQSZACIVSA-N 1 0 249.423 3.714 20 0 BHADRO CCO[C@@H](CC[NH2+]C1CCCC1)C1CCCC1 ZINC000766408111 585501826 /nfs/dbraw/zinc/50/18/26/585501826.db2.gz FKVJRYLFNPTMQD-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CCO[C@H](CC[NH2+]C1CCCC1)C1CCCC1 ZINC000766408113 585501823 /nfs/dbraw/zinc/50/18/23/585501823.db2.gz FKVJRYLFNPTMQD-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](C[NH2+]C1CCCCCCC1)c1ccncc1 ZINC000766488868 585503128 /nfs/dbraw/zinc/50/31/28/585503128.db2.gz PKYMURYKJBUOAT-AWEZNQCLSA-N 1 0 246.398 3.888 20 0 BHADRO C[C@H](C[NH2+]C1CCCCCCC1)c1ccncc1 ZINC000766488869 585503320 /nfs/dbraw/zinc/50/33/20/585503320.db2.gz PKYMURYKJBUOAT-CQSZACIVSA-N 1 0 246.398 3.888 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000766489273 585503236 /nfs/dbraw/zinc/50/32/36/585503236.db2.gz NTJAHOWQICCSTG-KBPBESRZSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000766489274 585503208 /nfs/dbraw/zinc/50/32/08/585503208.db2.gz NTJAHOWQICCSTG-KGLIPLIRSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000766489275 585503268 /nfs/dbraw/zinc/50/32/68/585503268.db2.gz NTJAHOWQICCSTG-UONOGXRCSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000766489276 585503233 /nfs/dbraw/zinc/50/32/33/585503233.db2.gz NTJAHOWQICCSTG-ZIAGYGMSSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000766489685 585503326 /nfs/dbraw/zinc/50/33/26/585503326.db2.gz SKKPPFYBXWJLDW-KBPBESRZSA-N 1 0 234.387 3.744 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000766489695 585503235 /nfs/dbraw/zinc/50/32/35/585503235.db2.gz SKKPPFYBXWJLDW-KGLIPLIRSA-N 1 0 234.387 3.744 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000766489696 585503243 /nfs/dbraw/zinc/50/32/43/585503243.db2.gz SKKPPFYBXWJLDW-UONOGXRCSA-N 1 0 234.387 3.744 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000766489697 585503123 /nfs/dbraw/zinc/50/31/23/585503123.db2.gz SKKPPFYBXWJLDW-ZIAGYGMSSA-N 1 0 234.387 3.744 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000766490359 585503286 /nfs/dbraw/zinc/50/32/86/585503286.db2.gz UTJCITBHELESTJ-CABCVRRESA-N 1 0 248.414 3.961 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000766490360 585503254 /nfs/dbraw/zinc/50/32/54/585503254.db2.gz UTJCITBHELESTJ-GJZGRUSLSA-N 1 0 248.414 3.961 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000766490361 585503364 /nfs/dbraw/zinc/50/33/64/585503364.db2.gz UTJCITBHELESTJ-HUUCEWRRSA-N 1 0 248.414 3.961 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000766490362 585503172 /nfs/dbraw/zinc/50/31/72/585503172.db2.gz UTJCITBHELESTJ-LSDHHAIUSA-N 1 0 248.414 3.961 20 0 BHADRO C[C@@H](Cc1ccncc1)[NH2+]C1CCCCCCC1 ZINC000766491588 585503338 /nfs/dbraw/zinc/50/33/38/585503338.db2.gz XDUZKKOUYDPSQH-AWEZNQCLSA-N 1 0 246.398 3.715 20 0 BHADRO C[C@H](Cc1ccncc1)[NH2+]C1CCCCCCC1 ZINC000766491600 585503329 /nfs/dbraw/zinc/50/33/29/585503329.db2.gz XDUZKKOUYDPSQH-CQSZACIVSA-N 1 0 246.398 3.715 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000766496483 585503309 /nfs/dbraw/zinc/50/33/09/585503309.db2.gz SFRCGCNQBUZOQU-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000766496484 585503322 /nfs/dbraw/zinc/50/33/22/585503322.db2.gz SFRCGCNQBUZOQU-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO C[C@@H]([NH2+]CCNc1ccccc1)c1cccs1 ZINC000766514093 585503623 /nfs/dbraw/zinc/50/36/23/585503623.db2.gz FMZXJIFVGMEYIM-GFCCVEGCSA-N 1 0 246.379 3.511 20 0 BHADRO C[C@H]([NH2+]CCNc1ccccc1)c1cccs1 ZINC000766514094 585503501 /nfs/dbraw/zinc/50/35/01/585503501.db2.gz FMZXJIFVGMEYIM-LBPRGKRZSA-N 1 0 246.379 3.511 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCNc1ccccc1 ZINC000766514144 585503581 /nfs/dbraw/zinc/50/35/81/585503581.db2.gz GBOALXGTTWUDGF-HNNXBMFYSA-N 1 0 246.398 3.823 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000766514150 585503431 /nfs/dbraw/zinc/50/34/31/585503431.db2.gz GBOALXGTTWUDGF-OAHLLOKOSA-N 1 0 246.398 3.823 20 0 BHADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCNc1ccccc1 ZINC000766516282 585503639 /nfs/dbraw/zinc/50/36/39/585503639.db2.gz UREROAQVKLMILG-FOLVSLTJSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCNc1ccccc1 ZINC000766516283 585503635 /nfs/dbraw/zinc/50/36/35/585503635.db2.gz UREROAQVKLMILG-KBPBESRZSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCNc1ccccc1 ZINC000766516284 585503630 /nfs/dbraw/zinc/50/36/30/585503630.db2.gz UREROAQVKLMILG-ZIAGYGMSSA-N 1 0 246.398 3.513 20 0 BHADRO C[C@H]([NH2+]CCNc1ccccc1)C1CCCCC1 ZINC000766516822 585503671 /nfs/dbraw/zinc/50/36/71/585503671.db2.gz WUZRLTIJGJPXSY-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]([NH2+]CCNc1ccccc1)C1CCCCC1 ZINC000766516823 585503706 /nfs/dbraw/zinc/50/37/06/585503706.db2.gz WUZRLTIJGJPXSY-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO C[C@@H]([NH2+]CCNc1ccccc1)c1ccsc1 ZINC000766516923 585503743 /nfs/dbraw/zinc/50/37/43/585503743.db2.gz YTVHENHLHZJSDD-GFCCVEGCSA-N 1 0 246.379 3.511 20 0 BHADRO C[C@H]([NH2+]CCNc1ccccc1)c1ccsc1 ZINC000766516925 585503707 /nfs/dbraw/zinc/50/37/07/585503707.db2.gz YTVHENHLHZJSDD-LBPRGKRZSA-N 1 0 246.379 3.511 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(F)(F)F ZINC000766526949 644667135 /nfs/dbraw/zinc/66/71/35/644667135.db2.gz FYBQIVINOBUHGI-GFCCVEGCSA-N 1 0 243.272 3.524 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(F)(F)F ZINC000766527168 644667042 /nfs/dbraw/zinc/66/70/42/644667042.db2.gz FYBQIVINOBUHGI-LBPRGKRZSA-N 1 0 243.272 3.524 20 0 BHADRO C[C@H](Cc1ccoc1)[NH2+]C1CCCCCCC1 ZINC000766533912 641881470 /nfs/dbraw/zinc/88/14/70/641881470.db2.gz BGZMDNCUKFURGV-CYBMUJFWSA-N 1 0 235.371 3.913 20 0 BHADRO C[C@@H](Cc1ccoc1)[NH2+]C1CCCCCCC1 ZINC000766533938 641881922 /nfs/dbraw/zinc/88/19/22/641881922.db2.gz BGZMDNCUKFURGV-ZDUSSCGKSA-N 1 0 235.371 3.913 20 0 BHADRO CC(C)C(C)(C)SCCC[NH+]1CCCC1 ZINC000767088311 585513790 /nfs/dbraw/zinc/51/37/90/585513790.db2.gz JRYSHTREOXBYLM-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC/C=C\CC[N@H+](C)CCc1ccccc1F ZINC000767316074 585516602 /nfs/dbraw/zinc/51/66/02/585516602.db2.gz BVXHOGBFWYVGDU-PLNGDYQASA-N 1 0 235.346 3.656 20 0 BHADRO CC/C=C/CC[N@H+](C)CCc1ccccc1F ZINC000767316079 585516578 /nfs/dbraw/zinc/51/65/78/585516578.db2.gz BVXHOGBFWYVGDU-SNAWJCMRSA-N 1 0 235.346 3.656 20 0 BHADRO CC/C=C\CC[N@@H+]1CCC2(CCCC2)C1 ZINC000767330910 585516606 /nfs/dbraw/zinc/51/66/06/585516606.db2.gz UZWPVDXBHXSAKE-ARJAWSKDSA-N 1 0 207.361 3.609 20 0 BHADRO CC/C=C/CC[N@@H+]1CCC2(CCCC2)C1 ZINC000767330914 585516521 /nfs/dbraw/zinc/51/65/21/585516521.db2.gz UZWPVDXBHXSAKE-ONEGZZNKSA-N 1 0 207.361 3.609 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCCC2)c(C)o1 ZINC000767337805 644674511 /nfs/dbraw/zinc/67/45/11/644674511.db2.gz AQNHDOHCTYWDCQ-UHFFFAOYSA-N 1 0 233.355 3.877 20 0 BHADRO Cc1cc(C[NH2+]CCCc2ccccc2)c(C)o1 ZINC000767337812 644674551 /nfs/dbraw/zinc/67/45/51/644674551.db2.gz BBXXMVWYBSPGOI-UHFFFAOYSA-N 1 0 243.350 3.619 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)CCc2ccco2)c(C)o1 ZINC000767337814 644674149 /nfs/dbraw/zinc/67/41/49/644674149.db2.gz BEHAQPOLTPAMBI-LLVKDONJSA-N 1 0 247.338 3.600 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)CCc2ccco2)c(C)o1 ZINC000767337815 644674838 /nfs/dbraw/zinc/67/48/38/644674838.db2.gz BEHAQPOLTPAMBI-NSHDSACASA-N 1 0 247.338 3.600 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccccc2C)c(C)o1 ZINC000767339293 644674665 /nfs/dbraw/zinc/67/46/65/644674665.db2.gz NZBGMRSUXGRWFL-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCc3ccccc32)c(C)o1 ZINC000767347054 585517145 /nfs/dbraw/zinc/51/71/45/585517145.db2.gz NSCHILIYGLHIGR-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCc3ccccc32)c(C)o1 ZINC000767347061 585517027 /nfs/dbraw/zinc/51/70/27/585517027.db2.gz NSCHILIYGLHIGR-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C)Cc2cccs2)c(C)o1 ZINC000767348210 585517296 /nfs/dbraw/zinc/51/72/96/585517296.db2.gz YWFDIPBXBWQMBC-JTQLQIEISA-N 1 0 249.379 3.679 20 0 BHADRO Cc1cc(C[NH2+][C@H](C)Cc2cccs2)c(C)o1 ZINC000767348216 585517013 /nfs/dbraw/zinc/51/70/13/585517013.db2.gz YWFDIPBXBWQMBC-SNVBAGLBSA-N 1 0 249.379 3.679 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2)c(C)o1 ZINC000767349429 585517020 /nfs/dbraw/zinc/51/70/20/585517020.db2.gz TWZBQBOOQLQYQW-UHFFFAOYSA-N 1 0 243.350 3.921 20 0 BHADRO Cc1cc(C[NH2+]CCc2cccc(C)c2)c(C)o1 ZINC000767363983 585517798 /nfs/dbraw/zinc/51/77/98/585517798.db2.gz NOCGKYGKVPWSLA-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)c2cccs2)c(C)o1 ZINC000767369406 585518170 /nfs/dbraw/zinc/51/81/70/585518170.db2.gz CTXGUHZLWFWEFW-UHFFFAOYSA-N 1 0 249.379 3.983 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000767370533 585518158 /nfs/dbraw/zinc/51/81/58/585518158.db2.gz NDIMUKFAMXDJEJ-AEGPPILISA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000767370534 585517936 /nfs/dbraw/zinc/51/79/36/585517936.db2.gz NDIMUKFAMXDJEJ-CFVMTHIKSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000767370535 585517693 /nfs/dbraw/zinc/51/76/93/585517693.db2.gz NDIMUKFAMXDJEJ-NWANDNLSSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000767370536 585517874 /nfs/dbraw/zinc/51/78/74/585517874.db2.gz NDIMUKFAMXDJEJ-QEJZJMRPSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cc(C[NH2+]CCc2ccc(C)cc2)c(C)o1 ZINC000767371027 585518219 /nfs/dbraw/zinc/51/82/19/585518219.db2.gz SONNYNHFQCQHIJ-UHFFFAOYSA-N 1 0 243.350 3.537 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]CCC2CCC2)cc1 ZINC000767372366 585518370 /nfs/dbraw/zinc/51/83/70/585518370.db2.gz BTMGLVWIYZRSNE-CVEARBPZSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]CCC2CCC2)cc1 ZINC000767372370 585518511 /nfs/dbraw/zinc/51/85/11/585518511.db2.gz BTMGLVWIYZRSNE-HOTGVXAUSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]CCC2CCC2)cc1 ZINC000767372373 585518540 /nfs/dbraw/zinc/51/85/40/585518540.db2.gz BTMGLVWIYZRSNE-HZPDHXFCSA-N 1 0 229.367 3.570 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]CCC2CCC2)cc1 ZINC000767372377 585518362 /nfs/dbraw/zinc/51/83/62/585518362.db2.gz BTMGLVWIYZRSNE-JKSUJKDBSA-N 1 0 229.367 3.570 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000767374455 585518638 /nfs/dbraw/zinc/51/86/38/585518638.db2.gz GYBNOTCXUBNEGR-KBPBESRZSA-N 1 0 249.423 3.521 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000767374456 585518456 /nfs/dbraw/zinc/51/84/56/585518456.db2.gz GYBNOTCXUBNEGR-KGLIPLIRSA-N 1 0 249.423 3.521 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000767374457 585518467 /nfs/dbraw/zinc/51/84/67/585518467.db2.gz GYBNOTCXUBNEGR-UONOGXRCSA-N 1 0 249.423 3.521 20 0 BHADRO CSC(C)(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000767374458 585518514 /nfs/dbraw/zinc/51/85/14/585518514.db2.gz GYBNOTCXUBNEGR-ZIAGYGMSSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cc(C[NH2+]Cc2c(C)cccc2F)c(C)o1 ZINC000767374621 585518554 /nfs/dbraw/zinc/51/85/54/585518554.db2.gz VQAMPKOYLXMNQR-UHFFFAOYSA-N 1 0 247.313 3.634 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(C)o1 ZINC000767381582 585518853 /nfs/dbraw/zinc/51/88/53/585518853.db2.gz DUXNVGLRUFFAAG-GFCCVEGCSA-N 1 0 243.297 3.564 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)c(C)o1 ZINC000767381598 585518711 /nfs/dbraw/zinc/51/87/11/585518711.db2.gz DUXNVGLRUFFAAG-LBPRGKRZSA-N 1 0 243.297 3.564 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CC3CCC2CC3)c(C)o1 ZINC000767381967 585518679 /nfs/dbraw/zinc/51/86/79/585518679.db2.gz IYAJDNSCPSCICS-PIMMBPRGSA-N 1 0 233.355 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CC3CCC2CC3)c(C)o1 ZINC000767381968 585518720 /nfs/dbraw/zinc/51/87/20/585518720.db2.gz IYAJDNSCPSCICS-SSDMNJCBSA-N 1 0 233.355 3.565 20 0 BHADRO Cc1cc(C[NH2+]C2(c3ccccc3)CC2)c(C)o1 ZINC000767382430 585518917 /nfs/dbraw/zinc/51/89/17/585518917.db2.gz JLIYDXJPMGZCNA-UHFFFAOYSA-N 1 0 241.334 3.675 20 0 BHADRO Cc1cc(C[NH2+]CC2(C3CC3)CCC2)c(C)o1 ZINC000767392151 585519109 /nfs/dbraw/zinc/51/91/09/585519109.db2.gz FJENWYZITNCTCX-UHFFFAOYSA-N 1 0 233.355 3.566 20 0 BHADRO Cc1cc(C[NH2+]C2CCC(F)(F)CC2)c(C)o1 ZINC000767392469 585519064 /nfs/dbraw/zinc/51/90/64/585519064.db2.gz IHSVXWFAQHWADH-UHFFFAOYSA-N 1 0 243.297 3.564 20 0 BHADRO Cc1cc(CNc2cc(C)cc(C)[nH+]2)c(C)o1 ZINC000767392512 585519045 /nfs/dbraw/zinc/51/90/45/585519045.db2.gz KEMVRPDOMVBKQP-UHFFFAOYSA-N 1 0 230.311 3.520 20 0 BHADRO CCC(CC)[N@H+](CCC(=O)C1CC1)CC(C)C ZINC000767416587 585519690 /nfs/dbraw/zinc/51/96/90/585519690.db2.gz WFWSMZMOYZCVQO-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC(N)=NOCc1cc2ccccc2o1 ZINC000767826988 585526618 /nfs/dbraw/zinc/52/66/18/585526618.db2.gz BCASSDRLGKQAAD-UHFFFAOYSA-N 1 0 246.310 3.621 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC000767880006 585527321 /nfs/dbraw/zinc/52/73/21/585527321.db2.gz BNYKOSJBGVZLCN-BMWLXYDHSA-N 1 0 235.758 3.576 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC000767880034 585527151 /nfs/dbraw/zinc/52/71/51/585527151.db2.gz BNYKOSJBGVZLCN-GPAKFWEMSA-N 1 0 235.758 3.576 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC000767880037 585527189 /nfs/dbraw/zinc/52/71/89/585527189.db2.gz BNYKOSJBGVZLCN-LHRNQBEKSA-N 1 0 235.758 3.576 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC000767880042 585527372 /nfs/dbraw/zinc/52/73/72/585527372.db2.gz BNYKOSJBGVZLCN-PODYEWJSSA-N 1 0 235.758 3.576 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C/C=C/Cl)C1CC1 ZINC000767889266 585527516 /nfs/dbraw/zinc/52/75/16/585527516.db2.gz KIMOVAFHOYOYOO-DJTWPOEFSA-N 1 0 235.758 3.965 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C/C=C\Cl)C1CC1 ZINC000767889267 585527596 /nfs/dbraw/zinc/52/75/96/585527596.db2.gz KIMOVAFHOYOYOO-DUWGPSABSA-N 1 0 235.758 3.965 20 0 BHADRO C[C@@H](c1ccccc1)[N@H+](C/C=C\Cl)C1CC1 ZINC000767889269 585527438 /nfs/dbraw/zinc/52/74/38/585527438.db2.gz KIMOVAFHOYOYOO-JSJZCHLLSA-N 1 0 235.758 3.965 20 0 BHADRO C[C@H](c1ccccc1)[N@H+](C/C=C/Cl)C1CC1 ZINC000767889270 585527499 /nfs/dbraw/zinc/52/74/99/585527499.db2.gz KIMOVAFHOYOYOO-SBKJXLNCSA-N 1 0 235.758 3.965 20 0 BHADRO Cl/C=C/C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000767891892 585527531 /nfs/dbraw/zinc/52/75/31/585527531.db2.gz UFLMOKMEDHBPEO-GMLHSMKSSA-N 1 0 247.769 3.891 20 0 BHADRO Cl/C=C\C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000767891894 585527625 /nfs/dbraw/zinc/52/76/25/585527625.db2.gz UFLMOKMEDHBPEO-ICSVTGKESA-N 1 0 247.769 3.891 20 0 BHADRO Cl/C=C\C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000767891895 585527579 /nfs/dbraw/zinc/52/75/79/585527579.db2.gz UFLMOKMEDHBPEO-ITOFIOBYSA-N 1 0 247.769 3.891 20 0 BHADRO Cl/C=C/C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000767891896 585527534 /nfs/dbraw/zinc/52/75/34/585527534.db2.gz UFLMOKMEDHBPEO-RDJHCISDSA-N 1 0 247.769 3.891 20 0 BHADRO CC(C)[N@H+](C/C=C/Cl)C1CCCCC1 ZINC000767894091 585527210 /nfs/dbraw/zinc/52/72/10/585527210.db2.gz SELSDKBVXVXWMW-RMKNXTFCSA-N 1 0 215.768 3.782 20 0 BHADRO CC(C)[N@H+](C/C=C\Cl)C1CCCCC1 ZINC000767894098 585527332 /nfs/dbraw/zinc/52/73/32/585527332.db2.gz SELSDKBVXVXWMW-TWGQIWQCSA-N 1 0 215.768 3.782 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C/C=C\Cl ZINC000767900200 585527884 /nfs/dbraw/zinc/52/78/84/585527884.db2.gz PYYTXIAMZPRBDB-HJLXKUKWSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C/C=C/Cl ZINC000767900202 585527842 /nfs/dbraw/zinc/52/78/42/585527842.db2.gz PYYTXIAMZPRBDB-JZUADKBYSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C/C=C\Cl ZINC000767900203 585527229 /nfs/dbraw/zinc/52/72/29/585527229.db2.gz PYYTXIAMZPRBDB-OBBGCOQJSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C/C=C/Cl ZINC000767900205 585527303 /nfs/dbraw/zinc/52/73/03/585527303.db2.gz PYYTXIAMZPRBDB-ZOUVEMKTSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000767902535 585528223 /nfs/dbraw/zinc/52/82/23/585528223.db2.gz QSVTWHYAMHWMOM-HOSRBBHYSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000767902659 585528246 /nfs/dbraw/zinc/52/82/46/585528246.db2.gz QSVTWHYAMHWMOM-HWPRWLFBSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000767902660 585528034 /nfs/dbraw/zinc/52/80/34/585528034.db2.gz QSVTWHYAMHWMOM-PZBABLGHSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000767902661 585528079 /nfs/dbraw/zinc/52/80/79/585528079.db2.gz QSVTWHYAMHWMOM-SMYYYNMVSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767905723 585528118 /nfs/dbraw/zinc/52/81/18/585528118.db2.gz HTGSTBRUIMEHBU-GXWOQWCDSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767905724 585528217 /nfs/dbraw/zinc/52/82/17/585528217.db2.gz HTGSTBRUIMEHBU-HXUAIIEXSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767905725 585528276 /nfs/dbraw/zinc/52/82/76/585528276.db2.gz HTGSTBRUIMEHBU-LDJOOVGUSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767905726 585528031 /nfs/dbraw/zinc/52/80/31/585528031.db2.gz HTGSTBRUIMEHBU-WNPFHQFXSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767906189 585527977 /nfs/dbraw/zinc/52/79/77/585527977.db2.gz KVJSZBMKUCXXBC-HJLXKUKWSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767906190 585528137 /nfs/dbraw/zinc/52/81/37/585528137.db2.gz KVJSZBMKUCXXBC-JZUADKBYSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767906192 585528237 /nfs/dbraw/zinc/52/82/37/585528237.db2.gz KVJSZBMKUCXXBC-LHXDFBSTSA-N 1 0 215.768 3.640 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767906194 585528296 /nfs/dbraw/zinc/52/82/96/585528296.db2.gz KVJSZBMKUCXXBC-MUDVKMOPSA-N 1 0 215.768 3.640 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCCCCCO ZINC000767906454 585528253 /nfs/dbraw/zinc/52/82/53/585528253.db2.gz OZGOAAXMHXPYMC-HNNXBMFYSA-N 1 0 241.419 3.584 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000767906455 585528102 /nfs/dbraw/zinc/52/81/02/585528102.db2.gz OZGOAAXMHXPYMC-OAHLLOKOSA-N 1 0 241.419 3.584 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767906923 585528308 /nfs/dbraw/zinc/52/83/08/585528308.db2.gz PGRLTXMCKLFEFN-LZGFCCKTSA-N 1 0 215.768 3.784 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767906927 585528120 /nfs/dbraw/zinc/52/81/20/585528120.db2.gz PGRLTXMCKLFEFN-OJIASSBASA-N 1 0 215.768 3.784 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000767906929 585528265 /nfs/dbraw/zinc/52/82/65/585528265.db2.gz PGRLTXMCKLFEFN-PWWFUAJNSA-N 1 0 215.768 3.784 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000767906931 585528257 /nfs/dbraw/zinc/52/82/57/585528257.db2.gz PGRLTXMCKLFEFN-UVMWJGKXSA-N 1 0 215.768 3.784 20 0 BHADRO FCCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000767927123 585528401 /nfs/dbraw/zinc/52/84/01/585528401.db2.gz OOHPVIPKCNHNKE-UHFFFAOYSA-N 1 0 243.325 3.803 20 0 BHADRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C/C=C\Cl ZINC000767936071 585528595 /nfs/dbraw/zinc/52/85/95/585528595.db2.gz PAOHQBHUDNJQHC-IZIDJEDMSA-N 1 0 249.785 3.836 20 0 BHADRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C/C=C\Cl ZINC000767936072 585528460 /nfs/dbraw/zinc/52/84/60/585528460.db2.gz PAOHQBHUDNJQHC-MLBQELRYSA-N 1 0 249.785 3.836 20 0 BHADRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C/C=C/Cl ZINC000767936073 585528567 /nfs/dbraw/zinc/52/85/67/585528567.db2.gz PAOHQBHUDNJQHC-WCLQSUPFSA-N 1 0 249.785 3.836 20 0 BHADRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C/C=C/Cl ZINC000767936074 585528388 /nfs/dbraw/zinc/52/83/88/585528388.db2.gz PAOHQBHUDNJQHC-WGPYJDKQSA-N 1 0 249.785 3.836 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000767942923 585528690 /nfs/dbraw/zinc/52/86/90/585528690.db2.gz USNWEIZKERDHSM-HNNXBMFYSA-N 1 0 241.419 3.705 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000767942926 585528686 /nfs/dbraw/zinc/52/86/86/585528686.db2.gz USNWEIZKERDHSM-OAHLLOKOSA-N 1 0 241.419 3.705 20 0 BHADRO CCCC[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000768086397 585531615 /nfs/dbraw/zinc/53/16/15/585531615.db2.gz FSAPPGGDNCIDCV-HNNXBMFYSA-N 1 0 247.382 3.852 20 0 BHADRO CCCC[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000768086398 585531676 /nfs/dbraw/zinc/53/16/76/585531676.db2.gz FSAPPGGDNCIDCV-OAHLLOKOSA-N 1 0 247.382 3.852 20 0 BHADRO CC[C@H]([NH2+]CC(C)C)c1ccc2c(c1)CCCO2 ZINC000768087030 585531697 /nfs/dbraw/zinc/53/16/97/585531697.db2.gz LQBQFTDWRTUHFG-HNNXBMFYSA-N 1 0 247.382 3.708 20 0 BHADRO CC[C@@H]([NH2+]CC(C)C)c1ccc2c(c1)CCCO2 ZINC000768087031 585531639 /nfs/dbraw/zinc/53/16/39/585531639.db2.gz LQBQFTDWRTUHFG-OAHLLOKOSA-N 1 0 247.382 3.708 20 0 BHADRO CCC[N@@H+](Cc1cc(C)oc1C)CC1CC1 ZINC000768129387 585532415 /nfs/dbraw/zinc/53/24/15/585532415.db2.gz GMTGSKFYYSXHFQ-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(C)o1 ZINC000768130204 585532399 /nfs/dbraw/zinc/53/23/99/585532399.db2.gz OZXUINFLVUHYQH-INIZCTEOSA-N 1 0 241.334 3.843 20 0 BHADRO Cc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(C)o1 ZINC000768130212 585532466 /nfs/dbraw/zinc/53/24/66/585532466.db2.gz OZXUINFLVUHYQH-MRXNPFEDSA-N 1 0 241.334 3.843 20 0 BHADRO CC[NH+](CC)Cc1ccccc1N1CCCCC1 ZINC000768132772 585532524 /nfs/dbraw/zinc/53/25/24/585532524.db2.gz LBQROQFTUOCFPL-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO CCC[NH+](CCC)Cc1cnc(Cl)c(C)c1 ZINC000768136689 585532638 /nfs/dbraw/zinc/53/26/38/585532638.db2.gz BGFSCFIWDBEAKJ-UHFFFAOYSA-N 1 0 240.778 3.665 20 0 BHADRO CCC[NH+](CCC)Cc1cc(C)oc1C ZINC000768136706 585532879 /nfs/dbraw/zinc/53/28/79/585532879.db2.gz CIBGFUSPZARJDC-UHFFFAOYSA-N 1 0 209.333 3.518 20 0 BHADRO Cc1cc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c(C)o1 ZINC000768136782 585532623 /nfs/dbraw/zinc/53/26/23/585532623.db2.gz ATRJLPMIAUCIBN-GFCCVEGCSA-N 1 0 235.371 3.905 20 0 BHADRO Cc1cc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c(C)o1 ZINC000768136783 585532922 /nfs/dbraw/zinc/53/29/22/585532922.db2.gz ATRJLPMIAUCIBN-LBPRGKRZSA-N 1 0 235.371 3.905 20 0 BHADRO CCC[NH+](CCC)Cc1cncc2ccccc21 ZINC000768137001 585532986 /nfs/dbraw/zinc/53/29/86/585532986.db2.gz JNCBJJOBXVXSBJ-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO CCCC[NH+](CCCC)Cc1ccoc1 ZINC000768137292 585532947 /nfs/dbraw/zinc/53/29/47/585532947.db2.gz LWRLZYBXPWGLQW-UHFFFAOYSA-N 1 0 209.333 3.682 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccsc1 ZINC000768137612 585532869 /nfs/dbraw/zinc/53/28/69/585532869.db2.gz PDLYASARQUSUAM-GHMZBOCLSA-N 1 0 209.358 3.511 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccsc1 ZINC000768137613 585532622 /nfs/dbraw/zinc/53/26/22/585532622.db2.gz PDLYASARQUSUAM-QWRGUYRKSA-N 1 0 209.358 3.511 20 0 BHADRO Cc1cc(C[N@@H+](C)C2CCCCC2)c(C)o1 ZINC000768138327 585532661 /nfs/dbraw/zinc/53/26/61/585532661.db2.gz IUOPNGQMFAVPQW-UHFFFAOYSA-N 1 0 221.344 3.661 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)oc1C ZINC000768138456 585532908 /nfs/dbraw/zinc/53/29/08/585532908.db2.gz KVUYHUBGFPTLDP-AWEZNQCLSA-N 1 0 221.344 3.661 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)oc1C ZINC000768138457 585532425 /nfs/dbraw/zinc/53/24/25/585532425.db2.gz KVUYHUBGFPTLDP-CQSZACIVSA-N 1 0 221.344 3.661 20 0 BHADRO c1ccc2c(c1)cncc2C[NH+]1CCCCCC1 ZINC000768138460 585532797 /nfs/dbraw/zinc/53/27/97/585532797.db2.gz LJOURKJMPLFCJX-UHFFFAOYSA-N 1 0 240.350 3.611 20 0 BHADRO c1cc2cccc(C[NH+]3CCCCCCC3)c2[nH]1 ZINC000768142274 643457832 /nfs/dbraw/zinc/45/78/32/643457832.db2.gz ABBYVZXDXXPFLF-UHFFFAOYSA-N 1 0 242.366 3.934 20 0 BHADRO c1cc2c(cccc2C[NH+]2CCCCCCC2)[nH]1 ZINC000768142286 643457720 /nfs/dbraw/zinc/45/77/20/643457720.db2.gz ABJDSHPEPGRHOL-UHFFFAOYSA-N 1 0 242.366 3.934 20 0 BHADRO COc1ccsc1C[NH+]1CCCCCCC1 ZINC000768142288 585532647 /nfs/dbraw/zinc/53/26/47/585532647.db2.gz AEEXGJIKJJYADS-UHFFFAOYSA-N 1 0 239.384 3.523 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1nccc2ccccc21 ZINC000768142310 585532983 /nfs/dbraw/zinc/53/29/83/585532983.db2.gz ARLVPQAUODRFBK-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1nccc2ccccc21 ZINC000768142311 585532848 /nfs/dbraw/zinc/53/28/48/585532848.db2.gz ARLVPQAUODRFBK-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO CCCC[N@H+](CC)Cc1cnc(Cl)c(C)c1 ZINC000768142799 643457496 /nfs/dbraw/zinc/45/74/96/643457496.db2.gz GAFMKRFTLVXJOO-UHFFFAOYSA-N 1 0 240.778 3.665 20 0 BHADRO CCCC[N@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000768143531 585533049 /nfs/dbraw/zinc/53/30/49/585533049.db2.gz YFWFTMZPVREGJN-UHFFFAOYSA-N 1 0 247.338 3.673 20 0 BHADRO Cc1ccc(C[NH+]2CCCCCCC2)s1 ZINC000768143689 585533318 /nfs/dbraw/zinc/53/33/18/585533318.db2.gz MBSLIQXDIYTQON-UHFFFAOYSA-N 1 0 223.385 3.823 20 0 BHADRO Cc1ccsc1C[NH+]1CCCCCCC1 ZINC000768143716 585533067 /nfs/dbraw/zinc/53/30/67/585533067.db2.gz MTOUGAMRCCONHC-UHFFFAOYSA-N 1 0 223.385 3.823 20 0 BHADRO C1=CC[C@H](C[NH+]2CCCCCCC2)CC1 ZINC000768143744 585532578 /nfs/dbraw/zinc/53/25/78/585532578.db2.gz NNNYCPDKENLZSK-AWEZNQCLSA-N 1 0 207.361 3.609 20 0 BHADRO C1=CC[C@@H](C[NH+]2CCCCCCC2)CC1 ZINC000768143746 585532888 /nfs/dbraw/zinc/53/28/88/585532888.db2.gz NNNYCPDKENLZSK-CQSZACIVSA-N 1 0 207.361 3.609 20 0 BHADRO Cc1cc(C[NH+]2CCCCCCC2)c(C)o1 ZINC000768143810 585533353 /nfs/dbraw/zinc/53/33/53/585533353.db2.gz OSYOHZXCATWUDN-UHFFFAOYSA-N 1 0 221.344 3.663 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000768144489 585533242 /nfs/dbraw/zinc/53/32/42/585533242.db2.gz RVXYTAHVORZCNQ-CYBMUJFWSA-N 1 0 240.350 3.609 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000768144491 585533074 /nfs/dbraw/zinc/53/30/74/585533074.db2.gz RVXYTAHVORZCNQ-ZDUSSCGKSA-N 1 0 240.350 3.609 20 0 BHADRO CCc1ccc(C[NH+]2CCCCCCC2)o1 ZINC000768144545 585533160 /nfs/dbraw/zinc/53/31/60/585533160.db2.gz UDBNLROCYVNCOB-UHFFFAOYSA-N 1 0 221.344 3.608 20 0 BHADRO Clc1ccc(C[NH+]2CCCCCCC2)o1 ZINC000768144594 585533222 /nfs/dbraw/zinc/53/32/22/585533222.db2.gz VLZZJQAATXFICU-UHFFFAOYSA-N 1 0 227.735 3.699 20 0 BHADRO CCCC[N@H+](CC)Cc1cncc2ccccc21 ZINC000768145178 585533002 /nfs/dbraw/zinc/53/30/02/585533002.db2.gz YASJMNJOBMYLLA-UHFFFAOYSA-N 1 0 242.366 3.857 20 0 BHADRO COCc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000768145179 585533265 /nfs/dbraw/zinc/53/32/65/585533265.db2.gz YBUGVVDKVULKGT-UHFFFAOYSA-N 1 0 247.382 3.599 20 0 BHADRO CCCC[N@H+](CC)Cc1cc(C)oc1C ZINC000768145346 585533076 /nfs/dbraw/zinc/53/30/76/585533076.db2.gz YVJOGCJOIMZWEX-UHFFFAOYSA-N 1 0 209.333 3.518 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)c(C)o1 ZINC000768159461 585533326 /nfs/dbraw/zinc/53/33/26/585533326.db2.gz GZTLBQSLBJDJHX-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2cccs2)c(C)o1 ZINC000768160018 585533125 /nfs/dbraw/zinc/53/31/25/585533125.db2.gz KTIVXBXFSBHEAC-UHFFFAOYSA-N 1 0 235.352 3.590 20 0 BHADRO CCC[N@H+](Cc1ccoc1)Cc1ccccc1 ZINC000768160781 585533119 /nfs/dbraw/zinc/53/31/19/585533119.db2.gz PQCXIMYYORDHAQ-UHFFFAOYSA-N 1 0 229.323 3.692 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccccc2C)c(C)o1 ZINC000768160843 585533291 /nfs/dbraw/zinc/53/32/91/585533291.db2.gz SYVMSJJPFNHBJI-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccc(C)cc2)c(C)o1 ZINC000768173194 585533585 /nfs/dbraw/zinc/53/35/85/585533585.db2.gz UGTZJGSJGGUSID-UHFFFAOYSA-N 1 0 243.350 3.837 20 0 BHADRO Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(C)o1 ZINC000768175809 585533357 /nfs/dbraw/zinc/53/33/57/585533357.db2.gz WVRWLLDCXFLXJW-UHFFFAOYSA-N 1 0 247.313 3.668 20 0 BHADRO C[N@H+](Cc1ccco1)C1CCCCCCC1 ZINC000768184796 585533524 /nfs/dbraw/zinc/53/35/24/585533524.db2.gz IZVKEAHYJZNGBM-UHFFFAOYSA-N 1 0 221.344 3.824 20 0 BHADRO Cc1ccoc1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000768194537 585533637 /nfs/dbraw/zinc/53/36/37/585533637.db2.gz AGWMAJLBWWSWPX-CYBMUJFWSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccoc1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000768194538 585533665 /nfs/dbraw/zinc/53/36/65/585533665.db2.gz AGWMAJLBWWSWPX-ZDUSSCGKSA-N 1 0 241.334 3.707 20 0 BHADRO c1csc([C@H]2CCC[N@H+]2Cc2ccoc2)c1 ZINC000768194586 585533743 /nfs/dbraw/zinc/53/37/43/585533743.db2.gz BVPVATZOOBCELR-GFCCVEGCSA-N 1 0 233.336 3.678 20 0 BHADRO c1csc([C@@H]2CCC[N@H+]2Cc2ccoc2)c1 ZINC000768194587 585533881 /nfs/dbraw/zinc/53/38/81/585533881.db2.gz BVPVATZOOBCELR-LBPRGKRZSA-N 1 0 233.336 3.678 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000768194821 585533792 /nfs/dbraw/zinc/53/37/92/585533792.db2.gz FKTIOEHLTXIZMD-GFCCVEGCSA-N 1 0 243.375 3.867 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000768194822 585533690 /nfs/dbraw/zinc/53/36/90/585533690.db2.gz FKTIOEHLTXIZMD-LBPRGKRZSA-N 1 0 243.375 3.867 20 0 BHADRO Cc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)o1 ZINC000768194995 585533877 /nfs/dbraw/zinc/53/38/77/585533877.db2.gz IFFICGDGLLXAIZ-GFCCVEGCSA-N 1 0 241.334 3.707 20 0 BHADRO Cc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)o1 ZINC000768194996 585533908 /nfs/dbraw/zinc/53/39/08/585533908.db2.gz IFFICGDGLLXAIZ-LBPRGKRZSA-N 1 0 241.334 3.707 20 0 BHADRO CC[N@H+](Cc1cccs1)Cc1cc(C)oc1C ZINC000768196303 585533717 /nfs/dbraw/zinc/53/37/17/585533717.db2.gz BIPDDQHMFOVEHN-UHFFFAOYSA-N 1 0 249.379 3.980 20 0 BHADRO CC1CCC([N@H+](C)Cc2coc(C3CC3)n2)CC1 ZINC000768198313 585533888 /nfs/dbraw/zinc/53/38/88/585533888.db2.gz SCKCMESGWLKXKD-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@H+](Cc1cncc2ccccc21)C1CCCC1 ZINC000768214095 585534001 /nfs/dbraw/zinc/53/40/01/585534001.db2.gz HGLFIPIVIXOEAV-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[N@H+](Cc1coc(C2CC2)n1)C1CCCCCC1 ZINC000768214862 585534064 /nfs/dbraw/zinc/53/40/64/585534064.db2.gz RVMWLNOSFJDBTD-UHFFFAOYSA-N 1 0 248.370 3.707 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000768222046 585534079 /nfs/dbraw/zinc/53/40/79/585534079.db2.gz DBBWRXQZQXSKTD-CHWSQXEVSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000768222048 585534128 /nfs/dbraw/zinc/53/41/28/585534128.db2.gz DBBWRXQZQXSKTD-OLZOCXBDSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000768222049 585534203 /nfs/dbraw/zinc/53/42/03/585534203.db2.gz DBBWRXQZQXSKTD-QWHCGFSZSA-N 1 0 234.387 3.723 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000768222050 585534213 /nfs/dbraw/zinc/53/42/13/585534213.db2.gz DBBWRXQZQXSKTD-STQMWFEESA-N 1 0 234.387 3.723 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)co1 ZINC000768224176 585534145 /nfs/dbraw/zinc/53/41/45/585534145.db2.gz VGXLZQQRSRKBAM-HNNXBMFYSA-N 1 0 227.307 3.617 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)co1 ZINC000768224177 585533966 /nfs/dbraw/zinc/53/39/66/585533966.db2.gz VGXLZQQRSRKBAM-OAHLLOKOSA-N 1 0 227.307 3.617 20 0 BHADRO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000768225189 585533956 /nfs/dbraw/zinc/53/39/56/585533956.db2.gz DCQWQILSXHFVNG-HNNXBMFYSA-N 1 0 245.297 3.756 20 0 BHADRO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000768225190 585534083 /nfs/dbraw/zinc/53/40/83/585534083.db2.gz DCQWQILSXHFVNG-OAHLLOKOSA-N 1 0 245.297 3.756 20 0 BHADRO c1cc(C[NH+]2CCC(c3ccccc3)CC2)co1 ZINC000768232498 585534397 /nfs/dbraw/zinc/53/43/97/585534397.db2.gz BTVHNQYHZDCDJG-UHFFFAOYSA-N 1 0 241.334 3.659 20 0 BHADRO CC[N@H+](Cc1cc2cccc(OC)c2o1)C(C)C ZINC000768236240 585534403 /nfs/dbraw/zinc/53/44/03/585534403.db2.gz CWUKVNZIPHIEMS-UHFFFAOYSA-N 1 0 247.338 3.672 20 0 BHADRO CC[N@H+](Cc1ccccc1C1CC1)C(C)C ZINC000768237495 585534367 /nfs/dbraw/zinc/53/43/67/585534367.db2.gz TZZKJXVYSTWPAY-UHFFFAOYSA-N 1 0 217.356 3.794 20 0 BHADRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000768238228 585534288 /nfs/dbraw/zinc/53/42/88/585534288.db2.gz XLJCYPBVWGZYDI-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000768238230 585534369 /nfs/dbraw/zinc/53/43/69/585534369.db2.gz XLJCYPBVWGZYDI-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO C[N@@H+](Cc1coc(C2CC2)n1)CC1CCCCC1 ZINC000768238353 585534458 /nfs/dbraw/zinc/53/44/58/585534458.db2.gz YXCUHTUFHUKMAO-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CC[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768238379 585534379 /nfs/dbraw/zinc/53/43/79/585534379.db2.gz YYKMLAAYYSEOBF-UHFFFAOYSA-N 1 0 249.301 3.750 20 0 BHADRO COc1cccc2cc(C[N@H+](C)CC(C)C)oc21 ZINC000768245372 585534721 /nfs/dbraw/zinc/53/47/21/585534721.db2.gz QOQLMSVOAVCWEW-UHFFFAOYSA-N 1 0 247.338 3.529 20 0 BHADRO Cc1cc(C[N@H+](C2CC2)C2CCCC2)c(C)o1 ZINC000768251780 584949234 /nfs/dbraw/zinc/94/92/34/584949234.db2.gz ACHNHQVIYPHDJK-UHFFFAOYSA-N 1 0 233.355 3.803 20 0 BHADRO CC1CCC([N@H+](Cc2ccoc2)C2CC2)CC1 ZINC000768252741 585534625 /nfs/dbraw/zinc/53/46/25/585534625.db2.gz OAGIJTHJUKHNCS-UHFFFAOYSA-N 1 0 233.355 3.823 20 0 BHADRO CCC(CC)[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000768256213 584949199 /nfs/dbraw/zinc/94/91/99/584949199.db2.gz ABEACYUFXLFBKG-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO CC(C)CCN(Cc1coc(C2CC2)n1)C1CC1 ZINC000768258210 585534886 /nfs/dbraw/zinc/53/48/86/585534886.db2.gz UWYASVKBJCORLV-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO Fc1cccc(CN(Cc2ccoc2)C2CC2)c1 ZINC000768258687 585534617 /nfs/dbraw/zinc/53/46/17/585534617.db2.gz VRSGPCZETWXTIJ-UHFFFAOYSA-N 1 0 245.297 3.583 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cncc2ccccc21 ZINC000768262969 585534940 /nfs/dbraw/zinc/53/49/40/585534940.db2.gz MVHDZMAZGKUFFI-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1cncc2ccccc21 ZINC000768267501 585535209 /nfs/dbraw/zinc/53/52/09/585535209.db2.gz AJDGRBQYTBLFCK-CYBMUJFWSA-N 1 0 242.366 3.711 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1cncc2ccccc21 ZINC000768267502 585535021 /nfs/dbraw/zinc/53/50/21/585535021.db2.gz AJDGRBQYTBLFCK-ZDUSSCGKSA-N 1 0 242.366 3.711 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)cnc1Cl ZINC000768267642 585535086 /nfs/dbraw/zinc/53/50/86/585535086.db2.gz BUKDMAVOIWVVKY-LLVKDONJSA-N 1 0 240.778 3.520 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)cnc1Cl ZINC000768267644 585535126 /nfs/dbraw/zinc/53/51/26/585535126.db2.gz BUKDMAVOIWVVKY-NSHDSACASA-N 1 0 240.778 3.520 20 0 BHADRO c1coc(C[N@H+](Cc2ccoc2)C2CCCC2)c1 ZINC000768270759 585535149 /nfs/dbraw/zinc/53/51/49/585535149.db2.gz YAFBPXLRISNQFQ-UHFFFAOYSA-N 1 0 245.322 3.817 20 0 BHADRO CCCC[N@H+](Cc1cc(C)oc1C)C1CC1 ZINC000768291994 585535455 /nfs/dbraw/zinc/53/54/55/585535455.db2.gz TWNXVDGMRCHMET-UHFFFAOYSA-N 1 0 221.344 3.661 20 0 BHADRO CCC[N@H+](Cc1cncc2ccccc21)C1CC1 ZINC000768292294 585535392 /nfs/dbraw/zinc/53/53/92/585535392.db2.gz YSPBAHBDXOYDLK-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000768318013 585535931 /nfs/dbraw/zinc/53/59/31/585535931.db2.gz IVZHLTOISUBYBQ-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000768318017 585535839 /nfs/dbraw/zinc/53/58/39/585535839.db2.gz IVZHLTOISUBYBQ-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)co1 ZINC000768318047 585535798 /nfs/dbraw/zinc/53/57/98/585535798.db2.gz IYOJAEFDRIPYPH-HNNXBMFYSA-N 1 0 233.355 3.824 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)co1 ZINC000768318053 585535831 /nfs/dbraw/zinc/53/58/31/585535831.db2.gz IYOJAEFDRIPYPH-OAHLLOKOSA-N 1 0 233.355 3.824 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768320466 585535818 /nfs/dbraw/zinc/53/58/18/585535818.db2.gz WIDUUPJXDURHLE-AWEZNQCLSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000768320468 585535789 /nfs/dbraw/zinc/53/57/89/585535789.db2.gz WIDUUPJXDURHLE-CQSZACIVSA-N 1 0 248.370 3.563 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H]2C(C)C)c(C)o1 ZINC000768321022 585535686 /nfs/dbraw/zinc/53/56/86/585535686.db2.gz ZIKAGQCRKGXBCH-AWEZNQCLSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c(C)o1 ZINC000768321025 585535727 /nfs/dbraw/zinc/53/57/27/585535727.db2.gz ZIKAGQCRKGXBCH-CQSZACIVSA-N 1 0 221.344 3.517 20 0 BHADRO CC(C)[N@H+](Cc1ccoc1)Cc1cccc(F)c1 ZINC000768329465 585535890 /nfs/dbraw/zinc/53/58/90/585535890.db2.gz FQFNJHLCATZWKD-UHFFFAOYSA-N 1 0 247.313 3.829 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)co1 ZINC000768329472 585535754 /nfs/dbraw/zinc/53/57/54/585535754.db2.gz FSZMFOHHKFPTBR-CYBMUJFWSA-N 1 0 233.336 3.678 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)co1 ZINC000768329474 585535935 /nfs/dbraw/zinc/53/59/35/585535935.db2.gz FSZMFOHHKFPTBR-ZDUSSCGKSA-N 1 0 233.336 3.678 20 0 BHADRO CC(C)[N@H+](Cc1ccoc1)Cc1ccc(F)cc1 ZINC000768329899 585535767 /nfs/dbraw/zinc/53/57/67/585535767.db2.gz KDYRSSWIUFQMAH-UHFFFAOYSA-N 1 0 247.313 3.829 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)c1 ZINC000768330466 585535895 /nfs/dbraw/zinc/53/58/95/585535895.db2.gz SRFFWJDNBFCUAX-INIZCTEOSA-N 1 0 241.334 3.925 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)c1 ZINC000768330467 585535666 /nfs/dbraw/zinc/53/56/66/585535666.db2.gz SRFFWJDNBFCUAX-MRXNPFEDSA-N 1 0 241.334 3.925 20 0 BHADRO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)c1 ZINC000768330531 585535613 /nfs/dbraw/zinc/53/56/13/585535613.db2.gz VBNLQNHNSFCDIU-HNNXBMFYSA-N 1 0 245.297 3.756 20 0 BHADRO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)c1 ZINC000768330533 585535675 /nfs/dbraw/zinc/53/56/75/585535675.db2.gz VBNLQNHNSFCDIU-OAHLLOKOSA-N 1 0 245.297 3.756 20 0 BHADRO CC(C)N(Cc1ccoc1)Cc1ccccc1F ZINC000768333614 585535635 /nfs/dbraw/zinc/53/56/35/585535635.db2.gz HONZVZAIKOYMAX-UHFFFAOYSA-N 1 0 247.313 3.829 20 0 BHADRO CCCCC[N@H+](Cc1ccoc1)C(C)C ZINC000768334181 585535857 /nfs/dbraw/zinc/53/58/57/585535857.db2.gz MWEOQLNYDANJGV-UHFFFAOYSA-N 1 0 209.333 3.680 20 0 BHADRO CC[N@H+](Cc1cc(C)oc1C)C1CCCC1 ZINC000768334346 585535942 /nfs/dbraw/zinc/53/59/42/585535942.db2.gz FSVLLQAGPOHJMV-UHFFFAOYSA-N 1 0 221.344 3.661 20 0 BHADRO C[N@H+](Cc1ccccc1-c1ccccc1)C1CC1 ZINC000768335410 585535629 /nfs/dbraw/zinc/53/56/29/585535629.db2.gz OLYALMRWLOIEAG-UHFFFAOYSA-N 1 0 237.346 3.948 20 0 BHADRO CC(C)[N@@H+](Cc1ccoc1)Cc1cccs1 ZINC000768335785 585535749 /nfs/dbraw/zinc/53/57/49/585535749.db2.gz XWRYDXJCALMUHO-UHFFFAOYSA-N 1 0 235.352 3.752 20 0 BHADRO CC[N@@H+](Cc1cncc2ccccc21)CC(C)C ZINC000768336329 585535659 /nfs/dbraw/zinc/53/56/59/585535659.db2.gz RRKGVOTZSUELPL-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO CC[N@@H+](Cc1cnc(Cl)c(C)c1)CC(C)C ZINC000768336414 585535661 /nfs/dbraw/zinc/53/56/61/585535661.db2.gz TULRJYNXOZXWPN-UHFFFAOYSA-N 1 0 240.778 3.521 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cncc2ccccc21 ZINC000768337765 585536071 /nfs/dbraw/zinc/53/60/71/585536071.db2.gz GHRCHGSZTIDYDV-CYBMUJFWSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cncc2ccccc21 ZINC000768337766 585536012 /nfs/dbraw/zinc/53/60/12/585536012.db2.gz GHRCHGSZTIDYDV-ZDUSSCGKSA-N 1 0 242.366 3.855 20 0 BHADRO c1cc(C[N@H+](C2CC2)C2CCCCC2)co1 ZINC000768338627 585536035 /nfs/dbraw/zinc/53/60/35/585536035.db2.gz PZVACSQWZZMOIZ-UHFFFAOYSA-N 1 0 219.328 3.577 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768339962 585536184 /nfs/dbraw/zinc/53/61/84/585536184.db2.gz WWVQJWOVMZEGKI-LLVKDONJSA-N 1 0 240.778 3.664 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768339964 585536097 /nfs/dbraw/zinc/53/60/97/585536097.db2.gz WWVQJWOVMZEGKI-NSHDSACASA-N 1 0 240.778 3.664 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1cc(C)oc1C ZINC000768340043 585535977 /nfs/dbraw/zinc/53/59/77/585535977.db2.gz ZCSMKBGIZLAMBE-JTQLQIEISA-N 1 0 209.333 3.517 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)oc1C ZINC000768340044 585535946 /nfs/dbraw/zinc/53/59/46/585535946.db2.gz ZCSMKBGIZLAMBE-SNVBAGLBSA-N 1 0 209.333 3.517 20 0 BHADRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccoc1 ZINC000768418067 585538058 /nfs/dbraw/zinc/53/80/58/585538058.db2.gz SPKUIEGHHMTLAB-JTQLQIEISA-N 1 0 221.325 3.534 20 0 BHADRO C[C@H](c1cccs1)[N@H+](C)Cc1ccoc1 ZINC000768418071 585538220 /nfs/dbraw/zinc/53/82/20/585538220.db2.gz SPKUIEGHHMTLAB-SNVBAGLBSA-N 1 0 221.325 3.534 20 0 BHADRO CCC[N@H+](Cc1ccoc1)Cc1ccc(F)cc1 ZINC000768468433 585539029 /nfs/dbraw/zinc/53/90/29/585539029.db2.gz ONYZHYPEWUGJKF-UHFFFAOYSA-N 1 0 247.313 3.831 20 0 BHADRO CCC[N@@H+](Cc1ccc2c(c1)COC2)CC(C)C ZINC000768477419 585538941 /nfs/dbraw/zinc/53/89/41/585538941.db2.gz ATAKBRVZGCZWIJ-UHFFFAOYSA-N 1 0 247.382 3.585 20 0 BHADRO CC(C)[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000768520625 585539712 /nfs/dbraw/zinc/53/97/12/585539712.db2.gz NISFHQOJCHBISY-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO CC(C)[N@H+](Cc1cncc2ccccc21)C1CC1 ZINC000768521459 585539623 /nfs/dbraw/zinc/53/96/23/585539623.db2.gz ZKFKMDSSTINTBD-UHFFFAOYSA-N 1 0 240.350 3.608 20 0 BHADRO CCC[N@H+](CCc1cccs1)Cc1ccoc1 ZINC000768525326 585539665 /nfs/dbraw/zinc/53/96/65/585539665.db2.gz VUYFZQOTHFWKAH-UHFFFAOYSA-N 1 0 249.379 3.796 20 0 BHADRO CC1(C)C[NH+](Cc2ccoc2)CC(C)(C)C1 ZINC000768531390 585539971 /nfs/dbraw/zinc/53/99/71/585539971.db2.gz DTKQUWWRVDZXGJ-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccoc1 ZINC000768531514 585539863 /nfs/dbraw/zinc/53/98/63/585539863.db2.gz YRZFXJVZZBRKRZ-INIZCTEOSA-N 1 0 241.334 3.617 20 0 BHADRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccoc1 ZINC000768531515 585539834 /nfs/dbraw/zinc/53/98/34/585539834.db2.gz YRZFXJVZZBRKRZ-MRXNPFEDSA-N 1 0 241.334 3.617 20 0 BHADRO Cc1cc(C[N@@H+](CC(C)C)C2CC2)c(C)o1 ZINC000768532891 585540161 /nfs/dbraw/zinc/54/01/61/585540161.db2.gz QGAFRFGSVUYVSZ-UHFFFAOYSA-N 1 0 221.344 3.517 20 0 BHADRO CCCC(C)(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000768534041 585539969 /nfs/dbraw/zinc/53/99/69/585539969.db2.gz OUYSJOOMLSVYHZ-UHFFFAOYSA-N 1 0 241.325 3.676 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)o1 ZINC000768543486 585539822 /nfs/dbraw/zinc/53/98/22/585539822.db2.gz KXQNMCSPLBKCRO-GFCCVEGCSA-N 1 0 223.360 3.763 20 0 BHADRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000768543487 585539921 /nfs/dbraw/zinc/53/99/21/585539921.db2.gz KXQNMCSPLBKCRO-LBPRGKRZSA-N 1 0 223.360 3.763 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc2c(c1)COC2)C(C)(C)C ZINC000768544079 585540037 /nfs/dbraw/zinc/54/00/37/585540037.db2.gz OSIRCJWLJPPESQ-GFCCVEGCSA-N 1 0 247.382 3.583 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc2c(c1)COC2)C(C)(C)C ZINC000768544080 585539851 /nfs/dbraw/zinc/53/98/51/585539851.db2.gz OSIRCJWLJPPESQ-LBPRGKRZSA-N 1 0 247.382 3.583 20 0 BHADRO CCC(C)(CC)[NH2+]CCc1ccc(F)c(F)c1 ZINC000768549127 585540183 /nfs/dbraw/zinc/54/01/83/585540183.db2.gz QBQXJSSAHAIMNV-UHFFFAOYSA-N 1 0 241.325 3.676 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]CCNc2ccccc2)C1 ZINC000768613666 585541063 /nfs/dbraw/zinc/54/10/63/585541063.db2.gz JQGJXJYSLOQKGI-CABCVRRESA-N 1 0 246.398 3.514 20 0 BHADRO C[C@H]1CCC[C@H](C[NH2+]CCNc2ccccc2)C1 ZINC000768613669 585541032 /nfs/dbraw/zinc/54/10/32/585541032.db2.gz JQGJXJYSLOQKGI-GJZGRUSLSA-N 1 0 246.398 3.514 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]CCNc2ccccc2)C1 ZINC000768613671 585540991 /nfs/dbraw/zinc/54/09/91/585540991.db2.gz JQGJXJYSLOQKGI-HUUCEWRRSA-N 1 0 246.398 3.514 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH2+]CCNc2ccccc2)C1 ZINC000768613672 585540983 /nfs/dbraw/zinc/54/09/83/585540983.db2.gz JQGJXJYSLOQKGI-LSDHHAIUSA-N 1 0 246.398 3.514 20 0 BHADRO CC(C)C[N@H+](Cc1ccoc1)C1CCCC1 ZINC000768652197 585541568 /nfs/dbraw/zinc/54/15/68/585541568.db2.gz MBPBQMLMKPGMJN-UHFFFAOYSA-N 1 0 221.344 3.680 20 0 BHADRO Fc1ccccc1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000768663279 585541764 /nfs/dbraw/zinc/54/17/64/585541764.db2.gz KIXMRUMHUNKSRI-UHFFFAOYSA-N 1 0 247.357 3.634 20 0 BHADRO Cc1ccccc1[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000768667548 585541615 /nfs/dbraw/zinc/54/16/15/585541615.db2.gz JXQMTDONLZNIKY-VOMCLLRMSA-N 1 0 239.309 3.689 20 0 BHADRO CC(C)C[N@H+](Cc1ccoc1)Cc1ccccc1 ZINC000768670259 585541700 /nfs/dbraw/zinc/54/17/00/585541700.db2.gz OYLOWUQBAORGSX-UHFFFAOYSA-N 1 0 243.350 3.938 20 0 BHADRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)c(C)o1 ZINC000768672499 585541573 /nfs/dbraw/zinc/54/15/73/585541573.db2.gz FBRJKFLCOFJVLK-UHFFFAOYSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CC(C(F)F)C2)cc1 ZINC000768680423 585541878 /nfs/dbraw/zinc/54/18/78/585541878.db2.gz ZKAVGVOJAFUGPH-PKSQDBQZSA-N 1 0 239.309 3.689 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(F)F)C2)cc1 ZINC000768680424 585541786 /nfs/dbraw/zinc/54/17/86/585541786.db2.gz ZKAVGVOJAFUGPH-QFWMXSHPSA-N 1 0 239.309 3.689 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768684572 585541809 /nfs/dbraw/zinc/54/18/09/585541809.db2.gz FNLWCMFRYPBXCL-FIYWTHMPSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768684581 585541938 /nfs/dbraw/zinc/54/19/38/585541938.db2.gz FNLWCMFRYPBXCL-IFWUJCSASA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768684584 585541816 /nfs/dbraw/zinc/54/18/16/585541816.db2.gz FNLWCMFRYPBXCL-TUUUFIMRSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768684588 585541881 /nfs/dbraw/zinc/54/18/81/585541881.db2.gz FNLWCMFRYPBXCL-TYUFSLCMSA-N 1 0 245.357 3.835 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768686677 585541969 /nfs/dbraw/zinc/54/19/69/585541969.db2.gz NZZRNJODZVYVME-IKWCTNDRSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768686679 585541913 /nfs/dbraw/zinc/54/19/13/585541913.db2.gz NZZRNJODZVYVME-WTIISPKJSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768686682 585541832 /nfs/dbraw/zinc/54/18/32/585541832.db2.gz NZZRNJODZVYVME-XVSSEFHLSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768686685 585542002 /nfs/dbraw/zinc/54/20/02/585542002.db2.gz NZZRNJODZVYVME-YWPUVAFDSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC000768689576 585541983 /nfs/dbraw/zinc/54/19/83/585541983.db2.gz VGWIGIRWUXHQRK-BPCQOVAHSA-N 1 0 239.309 3.771 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC000768689578 585541858 /nfs/dbraw/zinc/54/18/58/585541858.db2.gz VGWIGIRWUXHQRK-WXRRBKDZSA-N 1 0 239.309 3.771 20 0 BHADRO CCC1CCC(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768689893 585541921 /nfs/dbraw/zinc/54/19/21/585541921.db2.gz JGGZOWNXJUVGOL-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO FC(F)C1CC([NH2+]CC2CCCCCCC2)C1 ZINC000768690192 585541847 /nfs/dbraw/zinc/54/18/47/585541847.db2.gz WCURGXLDGGUAND-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO FC(F)C1CC([NH2+]CCCCC2CCCC2)C1 ZINC000768693217 585541790 /nfs/dbraw/zinc/54/17/90/585541790.db2.gz YPRCHRIQQRQHSZ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)(C[NH2+]C1CC(C(F)F)C1)C1CCCC1 ZINC000768705772 585542167 /nfs/dbraw/zinc/54/21/67/585542167.db2.gz BBNNBKVNTBRFBJ-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CC1(C[NH2+]C2CC(C(F)F)C2)CCC1 ZINC000768705886 585542163 /nfs/dbraw/zinc/54/21/63/585542163.db2.gz KKIPTUQGAYIWRG-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)C1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768705891 585542234 /nfs/dbraw/zinc/54/22/34/585542234.db2.gz KTBNHJCZSOMCEP-UHFFFAOYSA-N 1 0 245.357 3.835 20 0 BHADRO CC1(C)CCC(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768706630 585542108 /nfs/dbraw/zinc/54/21/08/585542108.db2.gz IORPLAGLWPPNAC-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C[NH2+]C2CC(C(F)F)C2)CCCCCC1 ZINC000768707765 585542041 /nfs/dbraw/zinc/54/20/41/585542041.db2.gz JVHAYYVVADTMJY-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO CCCCCC[NH+]1CCC(c2cccnc2)CC1 ZINC000768754801 585542468 /nfs/dbraw/zinc/54/24/68/585542468.db2.gz QZULFHSFKPLTBP-UHFFFAOYSA-N 1 0 246.398 3.841 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768765311 585542710 /nfs/dbraw/zinc/54/27/10/585542710.db2.gz DCOPEMZOMPSMEI-JTQLQIEISA-N 1 0 240.778 3.521 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768765312 585542976 /nfs/dbraw/zinc/54/29/76/585542976.db2.gz DCOPEMZOMPSMEI-SNVBAGLBSA-N 1 0 240.778 3.521 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1cncc2ccccc21 ZINC000768768880 585542691 /nfs/dbraw/zinc/54/26/91/585542691.db2.gz PFLOGZDSAYKGSF-CYBMUJFWSA-N 1 0 242.366 3.713 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1cncc2ccccc21 ZINC000768768883 585542842 /nfs/dbraw/zinc/54/28/42/585542842.db2.gz PFLOGZDSAYKGSF-ZDUSSCGKSA-N 1 0 242.366 3.713 20 0 BHADRO CC(C)C[N@H+](Cc1ccc2c(c1)COC2)C(C)C ZINC000768780157 585543591 /nfs/dbraw/zinc/54/35/91/585543591.db2.gz LREMWOUJIJFXOJ-UHFFFAOYSA-N 1 0 247.382 3.583 20 0 BHADRO Cc1cc(C[N@@H+](CC(C)C)C(C)C)c(C)o1 ZINC000768780420 585543389 /nfs/dbraw/zinc/54/33/89/585543389.db2.gz UXAKYCDNEOWTSB-UHFFFAOYSA-N 1 0 223.360 3.763 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2cc(C)oc2C)C1 ZINC000768845275 585544477 /nfs/dbraw/zinc/54/44/77/585544477.db2.gz GTNLZQLWKXSLTB-CYBMUJFWSA-N 1 0 221.344 3.518 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2cc(C)oc2C)C1 ZINC000768845277 585544464 /nfs/dbraw/zinc/54/44/64/585544464.db2.gz GTNLZQLWKXSLTB-ZDUSSCGKSA-N 1 0 221.344 3.518 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@H]12 ZINC000768848744 585544511 /nfs/dbraw/zinc/54/45/11/585544511.db2.gz DTXDDHLFDKSETA-BPLDGKMQSA-N 1 0 233.355 3.680 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]2CCCC[C@@H]12 ZINC000768848749 585544593 /nfs/dbraw/zinc/54/45/93/585544593.db2.gz DTXDDHLFDKSETA-SNPRPXQTSA-N 1 0 233.355 3.680 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@@H]12 ZINC000768848754 585544742 /nfs/dbraw/zinc/54/47/42/585544742.db2.gz DTXDDHLFDKSETA-VHDGCEQUSA-N 1 0 233.355 3.680 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]2CCCC[C@H]12 ZINC000768848758 585544800 /nfs/dbraw/zinc/54/48/00/585544800.db2.gz DTXDDHLFDKSETA-YUELXQCFSA-N 1 0 233.355 3.680 20 0 BHADRO c1cc(C[N@@H+](CC2CCCCC2)C2CC2)co1 ZINC000768920379 585545984 /nfs/dbraw/zinc/54/59/84/585545984.db2.gz OECWIDNTBANEIL-UHFFFAOYSA-N 1 0 233.355 3.824 20 0 BHADRO CCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000768931520 585546121 /nfs/dbraw/zinc/54/61/21/585546121.db2.gz MXIIDRIMGLHLHC-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO C[N@H+](Cc1cncc2ccccc21)CC(C)(C)C ZINC000768936628 585546427 /nfs/dbraw/zinc/54/64/27/585546427.db2.gz GHGARJPKQHOCRE-UHFFFAOYSA-N 1 0 242.366 3.713 20 0 BHADRO Cc1cc(C[N@@H+](C)CC(C)(C)C)cnc1Cl ZINC000768937269 585545977 /nfs/dbraw/zinc/54/59/77/585545977.db2.gz OFXMTQQCBYWULQ-UHFFFAOYSA-N 1 0 240.778 3.521 20 0 BHADRO C[N@H+](Cc1ccoc1)C1CCCCCCC1 ZINC000769005013 585547591 /nfs/dbraw/zinc/54/75/91/585547591.db2.gz LXKINKATARVENZ-UHFFFAOYSA-N 1 0 221.344 3.824 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000769005400 585547487 /nfs/dbraw/zinc/54/74/87/585547487.db2.gz CGRGDRGTJJFFSK-HNNXBMFYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000769005436 585547461 /nfs/dbraw/zinc/54/74/61/585547461.db2.gz CGRGDRGTJJFFSK-OAHLLOKOSA-N 1 0 240.350 3.609 20 0 BHADRO CC1(C)C[N@H+](Cc2ccoc2)[C@H]1c1ccccc1 ZINC000769085579 585548893 /nfs/dbraw/zinc/54/88/93/585548893.db2.gz KOBZIOJXZFWUNG-HNNXBMFYSA-N 1 0 241.334 3.863 20 0 BHADRO CC1(C)C[N@H+](Cc2ccoc2)[C@@H]1c1ccccc1 ZINC000769085581 585548807 /nfs/dbraw/zinc/54/88/07/585548807.db2.gz KOBZIOJXZFWUNG-OAHLLOKOSA-N 1 0 241.334 3.863 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(C)o1 ZINC000769101774 585548838 /nfs/dbraw/zinc/54/88/38/585548838.db2.gz HKLOSJXAYOHUMD-DZGCQCFKSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(C)o1 ZINC000769101776 585548766 /nfs/dbraw/zinc/54/87/66/585548766.db2.gz HKLOSJXAYOHUMD-HIFRSBDPSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(C)o1 ZINC000769101777 585548922 /nfs/dbraw/zinc/54/89/22/585548922.db2.gz HKLOSJXAYOHUMD-UKRRQHHQSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000769101778 585548759 /nfs/dbraw/zinc/54/87/59/585548759.db2.gz HKLOSJXAYOHUMD-ZFWWWQNUSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)c(C)o1 ZINC000769148929 585549968 /nfs/dbraw/zinc/54/99/68/585549968.db2.gz VIDCTSQTOGDITH-LLVKDONJSA-N 1 0 221.344 3.518 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)CC2)c(C)o1 ZINC000769148931 585550201 /nfs/dbraw/zinc/55/02/01/585550201.db2.gz VIDCTSQTOGDITH-NSHDSACASA-N 1 0 221.344 3.518 20 0 BHADRO CC[N@H+](Cc1ccc2c(c1)COC2)[C@H](C)C(C)C ZINC000769151288 585550362 /nfs/dbraw/zinc/55/03/62/585550362.db2.gz FDDUOMCAKGHHEJ-CYBMUJFWSA-N 1 0 247.382 3.583 20 0 BHADRO CC[N@H+](Cc1ccc2c(c1)COC2)[C@@H](C)C(C)C ZINC000769151290 585550334 /nfs/dbraw/zinc/55/03/34/585550334.db2.gz FDDUOMCAKGHHEJ-ZDUSSCGKSA-N 1 0 247.382 3.583 20 0 BHADRO CC[N@H+](Cc1cc(C)oc1C)[C@H](C)C(C)C ZINC000769153855 585550258 /nfs/dbraw/zinc/55/02/58/585550258.db2.gz QNLVRXUMTWVSPU-GFCCVEGCSA-N 1 0 223.360 3.763 20 0 BHADRO CC[N@H+](Cc1cc(C)oc1C)[C@@H](C)C(C)C ZINC000769153856 585550226 /nfs/dbraw/zinc/55/02/26/585550226.db2.gz QNLVRXUMTWVSPU-LBPRGKRZSA-N 1 0 223.360 3.763 20 0 BHADRO Cc1cc(C[N@H+](C)CC2CCCC2)c(C)o1 ZINC000769191825 585551026 /nfs/dbraw/zinc/55/10/26/585551026.db2.gz ORUXIDBNOYEKLD-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO CC(C)(C)C1CC[NH+](Cc2ccoc2)CC1 ZINC000769208655 585550871 /nfs/dbraw/zinc/55/08/71/585550871.db2.gz OYQNFMVKBLLAAL-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO Cc1ncccc1C[N@@H+](C)C1CCCCCCC1 ZINC000769223160 585551279 /nfs/dbraw/zinc/55/12/79/585551279.db2.gz NBKGGGVIDPPAFY-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(C)o1 ZINC000769223235 585551165 /nfs/dbraw/zinc/55/11/65/585551165.db2.gz NKWOCJUHXHRVCO-CMPLNLGQSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000769223238 585551300 /nfs/dbraw/zinc/55/13/00/585551300.db2.gz NKWOCJUHXHRVCO-JQWIXIFHSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000769223240 585551230 /nfs/dbraw/zinc/55/12/30/585551230.db2.gz NKWOCJUHXHRVCO-PWSUYJOCSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(C)o1 ZINC000769223242 585551289 /nfs/dbraw/zinc/55/12/89/585551289.db2.gz NKWOCJUHXHRVCO-ZYHUDNBSSA-N 1 0 221.344 3.517 20 0 BHADRO Cn1cccc1C[N@H+](C)C1CCCCCCC1 ZINC000769224637 585551118 /nfs/dbraw/zinc/55/11/18/585551118.db2.gz VCOVPIIRIOOIEL-UHFFFAOYSA-N 1 0 234.387 3.570 20 0 BHADRO Cn1ccc(C[N@H+](C)C2CCCCCCC2)c1 ZINC000769224872 585551352 /nfs/dbraw/zinc/55/13/52/585551352.db2.gz ZWVRSDKUPVNXFE-UHFFFAOYSA-N 1 0 234.387 3.570 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000769232224 585551551 /nfs/dbraw/zinc/55/15/51/585551551.db2.gz IOVMIRAABQNMMW-HNNXBMFYSA-N 1 0 241.334 3.578 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000769232225 585551573 /nfs/dbraw/zinc/55/15/73/585551573.db2.gz IOVMIRAABQNMMW-OAHLLOKOSA-N 1 0 241.334 3.578 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1nccc2ccccc21 ZINC000769236473 585551581 /nfs/dbraw/zinc/55/15/81/585551581.db2.gz AQJJLLSHHNEXQS-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c(C)o1 ZINC000769238714 585551499 /nfs/dbraw/zinc/55/14/99/585551499.db2.gz GWMZJACCGHIYGY-HNNXBMFYSA-N 1 0 233.355 3.661 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(C)o1 ZINC000769238716 585551449 /nfs/dbraw/zinc/55/14/49/585551449.db2.gz GWMZJACCGHIYGY-OAHLLOKOSA-N 1 0 233.355 3.661 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000769245736 585551636 /nfs/dbraw/zinc/55/16/36/585551636.db2.gz VMDKDKYKWQMLNK-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO C[N@H+](Cc1ccoc1)C1CCC(C)(C)CC1 ZINC000769299532 585552888 /nfs/dbraw/zinc/55/28/88/585552888.db2.gz QVAIXAYIIQOMLS-UHFFFAOYSA-N 1 0 221.344 3.680 20 0 BHADRO Cc1cc(C[NH+]2CCC(C)(C)CC2)c(C)o1 ZINC000769307246 585553371 /nfs/dbraw/zinc/55/33/71/585553371.db2.gz FYPRDUPZORZIGH-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO c1cc(C[NH+]2CCC3(CCCCC3)CC2)co1 ZINC000769314300 585553454 /nfs/dbraw/zinc/55/34/54/585553454.db2.gz XFHUOLHJOMQAQJ-UHFFFAOYSA-N 1 0 233.355 3.826 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769314897 585553641 /nfs/dbraw/zinc/55/36/41/585553641.db2.gz ROIGTRHJQVZSPW-CYBMUJFWSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769314899 585553510 /nfs/dbraw/zinc/55/35/10/585553510.db2.gz ROIGTRHJQVZSPW-ZDUSSCGKSA-N 1 0 248.370 3.563 20 0 BHADRO Cc1cc(C[N@H+](C)Cc2ccc(C)s2)c(C)o1 ZINC000769315400 585553631 /nfs/dbraw/zinc/55/36/31/585553631.db2.gz AXOLXHSWRCGERG-UHFFFAOYSA-N 1 0 249.379 3.898 20 0 BHADRO C1CCC([NH+]2CCC3(CCCC3)CC2)C1 ZINC000769332328 585553979 /nfs/dbraw/zinc/55/39/79/585553979.db2.gz LZKITEUEVKWRPF-UHFFFAOYSA-N 1 0 207.361 3.585 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccoc1)C1CC1 ZINC000769340812 585554557 /nfs/dbraw/zinc/55/45/57/585554557.db2.gz YACDOOCKSFOVMW-NEPJUHHUSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccoc1)C1CC1 ZINC000769340815 585554484 /nfs/dbraw/zinc/55/44/84/585554484.db2.gz YACDOOCKSFOVMW-NWDGAFQWSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccoc1)C1CC1 ZINC000769340816 585554530 /nfs/dbraw/zinc/55/45/30/585554530.db2.gz YACDOOCKSFOVMW-RYUDHWBXSA-N 1 0 221.344 3.679 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccoc1)C1CC1 ZINC000769340819 585554609 /nfs/dbraw/zinc/55/46/09/585554609.db2.gz YACDOOCKSFOVMW-VXGBXAGGSA-N 1 0 221.344 3.679 20 0 BHADRO Cc1cccc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000769340889 585554489 /nfs/dbraw/zinc/55/44/89/585554489.db2.gz YLROQOMWZCCZLU-UHFFFAOYSA-N 1 0 243.375 3.615 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000769379923 585554927 /nfs/dbraw/zinc/55/49/27/585554927.db2.gz CRARLJYOIXMNGN-UHFFFAOYSA-N 1 0 240.778 3.664 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1nccc2ccccc21 ZINC000769379974 585555070 /nfs/dbraw/zinc/55/50/70/585555070.db2.gz DRJBFFLLHHOXMO-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1cncc2ccccc21 ZINC000769382240 585555002 /nfs/dbraw/zinc/55/50/02/585555002.db2.gz SWKLQDQYCSOXHH-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO Fc1cccc(C2CC[NH+](C3CCCC3)CC2)c1 ZINC000769388452 585555464 /nfs/dbraw/zinc/55/54/64/585555464.db2.gz FQLZHLDQOBHCJV-UHFFFAOYSA-N 1 0 247.357 3.948 20 0 BHADRO Fc1ccc(C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000769390544 585555488 /nfs/dbraw/zinc/55/54/88/585555488.db2.gz XWNIYSJFSNWNMV-UHFFFAOYSA-N 1 0 247.357 3.948 20 0 BHADRO C1=CC[C@H](C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC000769396088 585555372 /nfs/dbraw/zinc/55/53/72/585555372.db2.gz WDYMVTGHKRXPED-AWEZNQCLSA-N 1 0 219.372 3.609 20 0 BHADRO C1=CC[C@@H](C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC000769396091 585555192 /nfs/dbraw/zinc/55/51/92/585555192.db2.gz WDYMVTGHKRXPED-CQSZACIVSA-N 1 0 219.372 3.609 20 0 BHADRO CCC1(CC)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769399868 585555336 /nfs/dbraw/zinc/55/53/36/585555336.db2.gz WIUSTKWMHKNKIS-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CCc1ccc(C[N@@H+]2CCC3(CCCC3)C2)o1 ZINC000769402235 585555761 /nfs/dbraw/zinc/55/57/61/585555761.db2.gz GAPXPCNWBKRWKV-UHFFFAOYSA-N 1 0 233.355 3.608 20 0 BHADRO Cc1cc(C[N@@H+]2CCC3(CCCC3)C2)c(C)o1 ZINC000769402521 585555712 /nfs/dbraw/zinc/55/57/12/585555712.db2.gz HHUPWKGZFQAJST-UHFFFAOYSA-N 1 0 233.355 3.663 20 0 BHADRO Cc1ccsc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000769402853 585555667 /nfs/dbraw/zinc/55/56/67/585555667.db2.gz ONKWMBWVCMZUQY-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)s1 ZINC000769403708 585555518 /nfs/dbraw/zinc/55/55/18/585555518.db2.gz UUYVURKGAZLXHD-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO c1cc(C[N@@H+]2CCCC3(CCCCC3)C2)co1 ZINC000769405463 585555714 /nfs/dbraw/zinc/55/57/14/585555714.db2.gz WAYAODYTKCNMBS-UHFFFAOYSA-N 1 0 233.355 3.826 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H](C)CCC1CC1 ZINC000769410767 585556115 /nfs/dbraw/zinc/55/61/15/585556115.db2.gz BNTGWLBNKUGRKG-GFCCVEGCSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H](C)CCC1CC1 ZINC000769410772 585555891 /nfs/dbraw/zinc/55/58/91/585555891.db2.gz BNTGWLBNKUGRKG-LBPRGKRZSA-N 1 0 235.346 3.802 20 0 BHADRO Cc1cc(C[N@H+]2CCCCC[C@H]2C)c(C)o1 ZINC000769418766 585555747 /nfs/dbraw/zinc/55/57/47/585555747.db2.gz ZREYYDNEIPPFIR-LLVKDONJSA-N 1 0 221.344 3.661 20 0 BHADRO Cc1cc(C[N@H+]2CCCCC[C@@H]2C)c(C)o1 ZINC000769418769 585555615 /nfs/dbraw/zinc/55/56/15/585555615.db2.gz ZREYYDNEIPPFIR-NSHDSACASA-N 1 0 221.344 3.661 20 0 BHADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769425629 585556124 /nfs/dbraw/zinc/55/61/24/585556124.db2.gz JASIBKRNKAOJCH-AWEZNQCLSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769425631 585556174 /nfs/dbraw/zinc/55/61/74/585556174.db2.gz JASIBKRNKAOJCH-CQSZACIVSA-N 1 0 248.370 3.563 20 0 BHADRO Cc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(C)o1 ZINC000769427053 585556245 /nfs/dbraw/zinc/55/62/45/585556245.db2.gz YNGLFZPTVRLMOA-KBPBESRZSA-N 1 0 233.355 3.518 20 0 BHADRO Cc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C)o1 ZINC000769427056 585556147 /nfs/dbraw/zinc/55/61/47/585556147.db2.gz YNGLFZPTVRLMOA-OKILXGFUSA-N 1 0 233.355 3.518 20 0 BHADRO Cc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(C)o1 ZINC000769427059 585555864 /nfs/dbraw/zinc/55/58/64/585555864.db2.gz YNGLFZPTVRLMOA-ZIAGYGMSSA-N 1 0 233.355 3.518 20 0 BHADRO CC1(C)C[N@H+](Cc2ccoc2)Cc2ccccc21 ZINC000769427770 585555949 /nfs/dbraw/zinc/55/59/49/585555949.db2.gz XBVPHAYNDLIBOD-UHFFFAOYSA-N 1 0 241.334 3.573 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC000769427865 585556099 /nfs/dbraw/zinc/55/60/99/585556099.db2.gz QAKSSAZNZRQYSO-AWEZNQCLSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC000769428353 585556374 /nfs/dbraw/zinc/55/63/74/585556374.db2.gz QAKSSAZNZRQYSO-CQSZACIVSA-N 1 0 221.344 3.538 20 0 BHADRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccoc1 ZINC000769429080 585556526 /nfs/dbraw/zinc/55/65/26/585556526.db2.gz ZZRLVORATMMXRH-INIZCTEOSA-N 1 0 241.334 3.789 20 0 BHADRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccoc1 ZINC000769429081 585556303 /nfs/dbraw/zinc/55/63/03/585556303.db2.gz ZZRLVORATMMXRH-MRXNPFEDSA-N 1 0 241.334 3.789 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccoc1 ZINC000769445299 585557002 /nfs/dbraw/zinc/55/70/02/585557002.db2.gz GHIYWIKXNOPHDG-BBRMVZONSA-N 1 0 241.334 3.658 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccoc1 ZINC000769445301 585556778 /nfs/dbraw/zinc/55/67/78/585556778.db2.gz GHIYWIKXNOPHDG-CJNGLKHVSA-N 1 0 241.334 3.658 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccoc1 ZINC000769445303 585556853 /nfs/dbraw/zinc/55/68/53/585556853.db2.gz GHIYWIKXNOPHDG-CZUORRHYSA-N 1 0 241.334 3.658 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccoc1 ZINC000769445305 585556876 /nfs/dbraw/zinc/55/68/76/585556876.db2.gz GHIYWIKXNOPHDG-XJKSGUPXSA-N 1 0 241.334 3.658 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1cc2ccccc2s1 ZINC000769446554 585556608 /nfs/dbraw/zinc/55/66/08/585556608.db2.gz RIQKAMWSCYBXDM-UHFFFAOYSA-N 1 0 231.364 3.886 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c(C)o1 ZINC000769446835 584965778 /nfs/dbraw/zinc/96/57/78/584965778.db2.gz QBCGNWNLVBLAIZ-GHMZBOCLSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(C)o1 ZINC000769446848 584965705 /nfs/dbraw/zinc/96/57/05/584965705.db2.gz QBCGNWNLVBLAIZ-MNOVXSKESA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(C)o1 ZINC000769446856 584965786 /nfs/dbraw/zinc/96/57/86/584965786.db2.gz QBCGNWNLVBLAIZ-QWRGUYRKSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)oc1C ZINC000769446862 585556899 /nfs/dbraw/zinc/55/68/99/585556899.db2.gz CUEHVCVYPNVZPB-HZMBPMFUSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)oc1C ZINC000769446864 585556832 /nfs/dbraw/zinc/55/68/32/585556832.db2.gz CUEHVCVYPNVZPB-IINYFYTJSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)oc1C ZINC000769446866 585556887 /nfs/dbraw/zinc/55/68/87/585556887.db2.gz CUEHVCVYPNVZPB-QMTHXVAHSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)oc1C ZINC000769446867 585556690 /nfs/dbraw/zinc/55/66/90/585556690.db2.gz CUEHVCVYPNVZPB-YGRLFVJLSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(C)o1 ZINC000769446876 584965688 /nfs/dbraw/zinc/96/56/88/584965688.db2.gz QBCGNWNLVBLAIZ-WDEREUQCSA-N 1 0 221.344 3.517 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000769447112 585556720 /nfs/dbraw/zinc/55/67/20/585556720.db2.gz SCUJAHYOHFHWGJ-UHFFFAOYSA-N 1 0 215.340 3.548 20 0 BHADRO Cc1cc(C[NH+](CC2CC2)CC2CC2)c(C)o1 ZINC000769450961 585557017 /nfs/dbraw/zinc/55/70/17/585557017.db2.gz JYVOEIMJRXNHAX-UHFFFAOYSA-N 1 0 233.355 3.518 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](Cc2ccoc2)C1 ZINC000769451802 585557191 /nfs/dbraw/zinc/55/71/91/585557191.db2.gz OGGFAXIZFWNENW-AWEZNQCLSA-N 1 0 221.344 3.682 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](Cc2ccoc2)C1 ZINC000769451805 585557352 /nfs/dbraw/zinc/55/73/52/585557352.db2.gz OGGFAXIZFWNENW-CQSZACIVSA-N 1 0 221.344 3.682 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769452547 585557181 /nfs/dbraw/zinc/55/71/81/585557181.db2.gz XOYDTVYELNRXOJ-NEPJUHHUSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1coc(C2CC2)n1 ZINC000769452548 585557243 /nfs/dbraw/zinc/55/72/43/585557243.db2.gz XOYDTVYELNRXOJ-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCC[C@H](C)[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769452549 585557385 /nfs/dbraw/zinc/55/73/85/585557385.db2.gz XOYDTVYELNRXOJ-RYUDHWBXSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769452550 585557227 /nfs/dbraw/zinc/55/72/27/585557227.db2.gz XOYDTVYELNRXOJ-VXGBXAGGSA-N 1 0 248.370 3.563 20 0 BHADRO CC[N@H+](Cc1cncc2ccccc21)C1CCC1 ZINC000769465723 585557450 /nfs/dbraw/zinc/55/74/50/585557450.db2.gz CFWWCNWKOXFVQR-UHFFFAOYSA-N 1 0 240.350 3.609 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769466907 585558103 /nfs/dbraw/zinc/55/81/03/585558103.db2.gz OUHQITJXSPSHJK-GXTWGEPZSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769466908 585557995 /nfs/dbraw/zinc/55/79/95/585557995.db2.gz OUHQITJXSPSHJK-JSGCOSHPSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769466909 585557984 /nfs/dbraw/zinc/55/79/84/585557984.db2.gz OUHQITJXSPSHJK-OCCSQVGLSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769466910 585557861 /nfs/dbraw/zinc/55/78/61/585557861.db2.gz OUHQITJXSPSHJK-TZMCWYRMSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769483990 585558213 /nfs/dbraw/zinc/55/82/13/585558213.db2.gz BEYMBVOCTMRMFH-AWEZNQCLSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000769483991 585558153 /nfs/dbraw/zinc/55/81/53/585558153.db2.gz BEYMBVOCTMRMFH-CQSZACIVSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccoc1 ZINC000769489372 644682285 /nfs/dbraw/zinc/68/22/85/644682285.db2.gz YRDFHSIPWORFMW-INIZCTEOSA-N 1 0 243.350 3.733 20 0 BHADRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccoc1 ZINC000769489373 643507201 /nfs/dbraw/zinc/50/72/01/643507201.db2.gz YRDFHSIPWORFMW-MRXNPFEDSA-N 1 0 243.350 3.733 20 0 BHADRO CC1(C)CCC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000769490413 644681952 /nfs/dbraw/zinc/68/19/52/644681952.db2.gz USDVXHCCYIDARY-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO CCCC1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000769493192 644681612 /nfs/dbraw/zinc/68/16/12/644681612.db2.gz XZGHWAIEHKDFPO-UHFFFAOYSA-N 1 0 245.357 3.979 20 0 BHADRO FC(F)C1CC([NH2+]CCCC2CCCCC2)C1 ZINC000769497364 585558412 /nfs/dbraw/zinc/55/84/12/585558412.db2.gz XLHLWHFKXDDZEJ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc(C[NH+]2C3CCCC2CCC3)c(C)o1 ZINC000769497846 585558427 /nfs/dbraw/zinc/55/84/27/585558427.db2.gz DAYKISQCUBDIJV-UHFFFAOYSA-N 1 0 233.355 3.803 20 0 BHADRO c1cc(C[NH+]2CCC(C3CCCC3)CC2)co1 ZINC000769502378 585558432 /nfs/dbraw/zinc/55/84/32/585558432.db2.gz MEWIZSVORHDDRI-UHFFFAOYSA-N 1 0 233.355 3.682 20 0 BHADRO CCC[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769502850 585558436 /nfs/dbraw/zinc/55/84/36/585558436.db2.gz BQUDDFIFRZIYJJ-GFCCVEGCSA-N 1 0 248.370 3.564 20 0 BHADRO CCC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769502851 585558482 /nfs/dbraw/zinc/55/84/82/585558482.db2.gz BQUDDFIFRZIYJJ-LBPRGKRZSA-N 1 0 248.370 3.564 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000769504068 585558609 /nfs/dbraw/zinc/55/86/09/585558609.db2.gz SUMMGEKVJSAUDZ-BPCQOVAHSA-N 1 0 245.357 3.979 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000769504071 585558599 /nfs/dbraw/zinc/55/85/99/585558599.db2.gz SUMMGEKVJSAUDZ-WXRRBKDZSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)C[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000769506442 585558318 /nfs/dbraw/zinc/55/83/18/585558318.db2.gz SSMQVQWLFICWBE-CYBMUJFWSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000769506444 585558340 /nfs/dbraw/zinc/55/83/40/585558340.db2.gz SSMQVQWLFICWBE-ZDUSSCGKSA-N 1 0 221.344 3.538 20 0 BHADRO c1cc(C[N@@H+]2CCCC23CCCCC3)co1 ZINC000769506514 585558325 /nfs/dbraw/zinc/55/83/25/585558325.db2.gz VPDZDKIBTUWKIQ-UHFFFAOYSA-N 1 0 219.328 3.578 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccoc1 ZINC000769508517 644682324 /nfs/dbraw/zinc/68/23/24/644682324.db2.gz RGONCWFVBWUWSS-GXTWGEPZSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccoc1 ZINC000769508521 644682629 /nfs/dbraw/zinc/68/26/29/644682629.db2.gz RGONCWFVBWUWSS-JSGCOSHPSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccoc1 ZINC000769508524 644681834 /nfs/dbraw/zinc/68/18/34/644681834.db2.gz RGONCWFVBWUWSS-OCCSQVGLSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccoc1 ZINC000769508527 644682245 /nfs/dbraw/zinc/68/22/45/644682245.db2.gz RGONCWFVBWUWSS-TZMCWYRMSA-N 1 0 221.344 3.680 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000769519331 585558684 /nfs/dbraw/zinc/55/86/84/585558684.db2.gz RCHGKNHMFXILDI-AWEZNQCLSA-N 1 0 221.344 3.518 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000769519333 585558861 /nfs/dbraw/zinc/55/88/61/585558861.db2.gz RCHGKNHMFXILDI-CQSZACIVSA-N 1 0 221.344 3.518 20 0 BHADRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000769521474 585558702 /nfs/dbraw/zinc/55/87/02/585558702.db2.gz OCDSCFMVUSXCAO-IALDZJHCSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000769521477 585558857 /nfs/dbraw/zinc/55/88/57/585558857.db2.gz OCDSCFMVUSXCAO-OKZRHMCRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000769521481 585558821 /nfs/dbraw/zinc/55/88/21/585558821.db2.gz OCDSCFMVUSXCAO-ZFDZMSFRSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000769521483 585558824 /nfs/dbraw/zinc/55/88/24/585558824.db2.gz OCDSCFMVUSXCAO-ZSVAQUKISA-N 1 0 245.357 3.836 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000769522509 585558747 /nfs/dbraw/zinc/55/87/47/585558747.db2.gz RVSUWVYVXQXUBB-BFCCFQBASA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000769522519 585558805 /nfs/dbraw/zinc/55/88/05/585558805.db2.gz RVSUWVYVXQXUBB-IJLVLRJLSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000769522521 585558691 /nfs/dbraw/zinc/55/86/91/585558691.db2.gz RVSUWVYVXQXUBB-QTGKYELZSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000769522522 585558741 /nfs/dbraw/zinc/55/87/41/585558741.db2.gz RVSUWVYVXQXUBB-UVRVNTCESA-N 1 0 243.341 3.589 20 0 BHADRO CC(C)C[N@H+](Cc1ccoc1)CC(C)(C)C ZINC000769524075 585558867 /nfs/dbraw/zinc/55/88/67/585558867.db2.gz JEXRICZYPOICRH-UHFFFAOYSA-N 1 0 223.360 3.784 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccoc2)[C@@H](c2ccco2)C1 ZINC000769527855 585558772 /nfs/dbraw/zinc/55/87/72/585558772.db2.gz SPCQDHYPNHASJT-GXTWGEPZSA-N 1 0 245.322 3.846 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccoc2)[C@@H](c2ccco2)C1 ZINC000769527856 585558851 /nfs/dbraw/zinc/55/88/51/585558851.db2.gz SPCQDHYPNHASJT-TZMCWYRMSA-N 1 0 245.322 3.846 20 0 BHADRO CC[C@@H](C)C[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000769537624 585559178 /nfs/dbraw/zinc/55/91/78/585559178.db2.gz NCKUFLHNRDHNFS-CYBMUJFWSA-N 1 0 247.382 3.585 20 0 BHADRO CC[C@H](C)C[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000769537626 585559163 /nfs/dbraw/zinc/55/91/63/585559163.db2.gz NCKUFLHNRDHNFS-ZDUSSCGKSA-N 1 0 247.382 3.585 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538052 585559061 /nfs/dbraw/zinc/55/90/61/585559061.db2.gz POYZVXOZYUKGPN-AWEZNQCLSA-N 1 0 221.344 3.680 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538053 585558891 /nfs/dbraw/zinc/55/88/91/585558891.db2.gz POYZVXOZYUKGPN-CQSZACIVSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538836 585559055 /nfs/dbraw/zinc/55/90/55/585559055.db2.gz XVIMZXDIMUTYNO-GXTWGEPZSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538837 585559059 /nfs/dbraw/zinc/55/90/59/585559059.db2.gz XVIMZXDIMUTYNO-JSGCOSHPSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538838 585558895 /nfs/dbraw/zinc/55/88/95/585558895.db2.gz XVIMZXDIMUTYNO-OCCSQVGLSA-N 1 0 221.344 3.680 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000769538839 585558903 /nfs/dbraw/zinc/55/89/03/585558903.db2.gz XVIMZXDIMUTYNO-TZMCWYRMSA-N 1 0 221.344 3.680 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000769541197 585558900 /nfs/dbraw/zinc/55/89/00/585558900.db2.gz DPRYXQQEVHKXNZ-FIYWTHMPSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000769541200 585558976 /nfs/dbraw/zinc/55/89/76/585558976.db2.gz DPRYXQQEVHKXNZ-IFWUJCSASA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000769541204 585559172 /nfs/dbraw/zinc/55/91/72/585559172.db2.gz DPRYXQQEVHKXNZ-TUUUFIMRSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+][C@H]2C[C@H]2C2CCCCC2)C1 ZINC000769541791 585559158 /nfs/dbraw/zinc/55/91/58/585559158.db2.gz DPRYXQQEVHKXNZ-TYUFSLCMSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CC([NH2+]CCC2=CCCCCC2)C1 ZINC000769555855 585559248 /nfs/dbraw/zinc/55/92/48/585559248.db2.gz FKLDMNKFFCYBTD-UHFFFAOYSA-N 1 0 243.341 3.900 20 0 BHADRO CCC1(C[NH2+]C2CC(C(F)F)C2)CCCCC1 ZINC000769556662 585559330 /nfs/dbraw/zinc/55/93/30/585559330.db2.gz IIQUVWYWGIQPIQ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1cc(C[NH2+]CCCc2cccs2)c(C)o1 ZINC000769690232 585561797 /nfs/dbraw/zinc/56/17/97/585561797.db2.gz ODXNWVPAADYBQE-UHFFFAOYSA-N 1 0 249.379 3.680 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1c(CC)noc1C ZINC000769858869 585565632 /nfs/dbraw/zinc/56/56/32/585565632.db2.gz BQHQOHOAIDEPEP-LLVKDONJSA-N 1 0 238.375 3.776 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1c(CC)noc1C ZINC000769858871 585565563 /nfs/dbraw/zinc/56/55/63/585565563.db2.gz BQHQOHOAIDEPEP-NSHDSACASA-N 1 0 238.375 3.776 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]C1CCCCC1 ZINC000769860330 585565565 /nfs/dbraw/zinc/56/55/65/585565565.db2.gz KCWFAGLCYKBSNI-JTQLQIEISA-N 1 0 236.359 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]C1CCCCC1 ZINC000769860331 585565531 /nfs/dbraw/zinc/56/55/31/585565531.db2.gz KCWFAGLCYKBSNI-SNVBAGLBSA-N 1 0 236.359 3.529 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769865038 585565460 /nfs/dbraw/zinc/56/54/60/585565460.db2.gz MDARWCAOCXXLEZ-LLVKDONJSA-N 1 0 237.309 3.841 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769865039 585565529 /nfs/dbraw/zinc/56/55/29/585565529.db2.gz MDARWCAOCXXLEZ-NSHDSACASA-N 1 0 237.309 3.841 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCCC(C)C ZINC000769871075 585565386 /nfs/dbraw/zinc/56/53/86/585565386.db2.gz XNHIFYINYPUVKS-LLVKDONJSA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CCCC(C)C ZINC000769871082 585565600 /nfs/dbraw/zinc/56/56/00/585565600.db2.gz XNHIFYINYPUVKS-NSHDSACASA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CCC(C)(C)C ZINC000769872014 585565864 /nfs/dbraw/zinc/56/58/64/585565864.db2.gz DMDDHFFWJIZQFF-JTQLQIEISA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000769872015 585565767 /nfs/dbraw/zinc/56/57/67/585565767.db2.gz DMDDHFFWJIZQFF-SNVBAGLBSA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000769874414 585565945 /nfs/dbraw/zinc/56/59/45/585565945.db2.gz LHKOJJIGRAHBKP-AAEUAGOBSA-N 1 0 248.370 3.552 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000769874415 585565919 /nfs/dbraw/zinc/56/59/19/585565919.db2.gz LHKOJJIGRAHBKP-DGCLKSJQSA-N 1 0 248.370 3.552 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000769874416 585565777 /nfs/dbraw/zinc/56/57/77/585565777.db2.gz LHKOJJIGRAHBKP-WCQYABFASA-N 1 0 248.370 3.552 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000769874417 585565933 /nfs/dbraw/zinc/56/59/33/585565933.db2.gz LHKOJJIGRAHBKP-YPMHNXCESA-N 1 0 248.370 3.552 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CC(CC)CC ZINC000769875822 585565931 /nfs/dbraw/zinc/56/59/31/585565931.db2.gz XIOAEWGODKRRNC-JTQLQIEISA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC(CC)CC ZINC000769875824 585565926 /nfs/dbraw/zinc/56/59/26/585565926.db2.gz XIOAEWGODKRRNC-SNVBAGLBSA-N 1 0 238.375 3.632 20 0 BHADRO CC(C)[N@@H+](C/C(Cl)=C\Cl)CC1CCC1 ZINC000769929288 585566616 /nfs/dbraw/zinc/56/66/16/585566616.db2.gz XLJQZGLOZIQZML-IZZDOVSWSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[N@@H+](C/C(Cl)=C/Cl)CC1CCC1 ZINC000769929294 585566509 /nfs/dbraw/zinc/56/65/09/585566509.db2.gz XLJQZGLOZIQZML-WDZFZDKYSA-N 1 0 236.186 3.816 20 0 BHADRO CC(C)[N@H+](CCC(=O)C(C)(C)C)CC1CCC1 ZINC000769929510 585566455 /nfs/dbraw/zinc/56/64/55/585566455.db2.gz ZPVZMMWBVMDZCQ-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)OC1CC([NH2+]C2CCCCCCC2)C1 ZINC000769995546 585568903 /nfs/dbraw/zinc/56/89/03/585568903.db2.gz MJHJIHMYRPGDTP-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO FCc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000770001921 585569122 /nfs/dbraw/zinc/56/91/22/585569122.db2.gz NUDZXQFDCPNPNF-UHFFFAOYSA-N 1 0 233.330 3.675 20 0 BHADRO Cc1ncccc1C[NH+]1CCC(CC(C)C)CC1 ZINC000770349289 585573157 /nfs/dbraw/zinc/57/31/57/585573157.db2.gz FVSRSQDNNGQMPF-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO CC(C)CC1CC[NH+](Cc2ccco2)CC1 ZINC000770350428 585572942 /nfs/dbraw/zinc/57/29/42/585572942.db2.gz IMLRYKXSFSMLBK-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)CC1CC[NH+](Cc2ccoc2)CC1 ZINC000770351326 585573224 /nfs/dbraw/zinc/57/32/24/585573224.db2.gz KGNZYXAUNSDOIJ-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000770352387 585573204 /nfs/dbraw/zinc/57/32/04/585573204.db2.gz YAMLAZBIAHLOKP-AWEZNQCLSA-N 1 0 221.344 3.824 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000770352393 585572996 /nfs/dbraw/zinc/57/29/96/585572996.db2.gz YAMLAZBIAHLOKP-CQSZACIVSA-N 1 0 221.344 3.824 20 0 BHADRO CC(C)CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000770356632 585573128 /nfs/dbraw/zinc/57/31/28/585573128.db2.gz ZUOAIDHDQAECTA-UHFFFAOYSA-N 1 0 247.382 3.650 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000770509497 585575280 /nfs/dbraw/zinc/57/52/80/585575280.db2.gz BMKVJVMUUUJBAA-GFCCVEGCSA-N 1 0 235.346 3.618 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000770509498 585575380 /nfs/dbraw/zinc/57/53/80/585575380.db2.gz BMKVJVMUUUJBAA-LBPRGKRZSA-N 1 0 235.346 3.618 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccsc1 ZINC000770509620 585575364 /nfs/dbraw/zinc/57/53/64/585575364.db2.gz PUCNLHBQLPGJAA-AAEUAGOBSA-N 1 0 223.385 3.759 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccsc1 ZINC000770509623 585575163 /nfs/dbraw/zinc/57/51/63/585575163.db2.gz PUCNLHBQLPGJAA-DGCLKSJQSA-N 1 0 223.385 3.759 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccsc1 ZINC000770509625 585575198 /nfs/dbraw/zinc/57/51/98/585575198.db2.gz PUCNLHBQLPGJAA-WCQYABFASA-N 1 0 223.385 3.759 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccsc1 ZINC000770509628 585575431 /nfs/dbraw/zinc/57/54/31/585575431.db2.gz PUCNLHBQLPGJAA-YPMHNXCESA-N 1 0 223.385 3.759 20 0 BHADRO Clc1cnc(CN2CCCCCCC2)s1 ZINC000770613663 585577370 /nfs/dbraw/zinc/57/73/70/585577370.db2.gz VVAVLFKFJOOLTJ-UHFFFAOYSA-N 1 0 244.791 3.563 20 0 BHADRO FCc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000770700172 585580142 /nfs/dbraw/zinc/58/01/42/585580142.db2.gz MGXAAONJNYBOBF-UHFFFAOYSA-N 1 0 233.330 3.532 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[N@@H+]1CCCC2(CC2)C1 ZINC000770700197 585580377 /nfs/dbraw/zinc/58/03/77/585580377.db2.gz MNSKXZMFQANXLS-HNNXBMFYSA-N 1 0 241.378 3.592 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CCCC2(CC2)C1 ZINC000770700200 585580149 /nfs/dbraw/zinc/58/01/49/585580149.db2.gz MNSKXZMFQANXLS-OAHLLOKOSA-N 1 0 241.378 3.592 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000771368590 585593138 /nfs/dbraw/zinc/59/31/38/585593138.db2.gz FRRJASHGPSYWEC-CYBMUJFWSA-N 1 0 234.387 3.929 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000771368592 585593298 /nfs/dbraw/zinc/59/32/98/585593298.db2.gz FRRJASHGPSYWEC-ZDUSSCGKSA-N 1 0 234.387 3.929 20 0 BHADRO Cc1cccc(C2=CC[N@H+](C/C=C\Cl)CC2)c1 ZINC000771460119 585594584 /nfs/dbraw/zinc/59/45/84/585594584.db2.gz ATIZUKBFPUKBQD-BAQGIRSFSA-N 1 0 247.769 3.837 20 0 BHADRO Cc1cccc(C2=CC[N@H+](C/C=C/Cl)CC2)c1 ZINC000771460121 585594613 /nfs/dbraw/zinc/59/46/13/585594613.db2.gz ATIZUKBFPUKBQD-FPYGCLRLSA-N 1 0 247.769 3.837 20 0 BHADRO C[C@@H]1CC[N@H+](CCc2cccs2)CC12CCC2 ZINC000771462745 585594774 /nfs/dbraw/zinc/59/47/74/585594774.db2.gz KTNNAPBTMIWVEX-CYBMUJFWSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@H]1CC[N@H+](CCc2cccs2)CC12CCC2 ZINC000771462849 585594659 /nfs/dbraw/zinc/59/46/59/585594659.db2.gz KTNNAPBTMIWVEX-ZDUSSCGKSA-N 1 0 249.423 3.803 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000771792796 585600279 /nfs/dbraw/zinc/60/02/79/585600279.db2.gz WXODCUPHUDTMNG-DOMZBBRYSA-N 1 0 235.346 3.824 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000771792797 585600149 /nfs/dbraw/zinc/60/01/49/585600149.db2.gz WXODCUPHUDTMNG-IUODEOHRSA-N 1 0 235.346 3.824 20 0 BHADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000771792799 585600282 /nfs/dbraw/zinc/60/02/82/585600282.db2.gz WXODCUPHUDTMNG-SWLSCSKDSA-N 1 0 235.346 3.824 20 0 BHADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000771792810 585600176 /nfs/dbraw/zinc/60/01/76/585600176.db2.gz WXODCUPHUDTMNG-WFASDCNBSA-N 1 0 235.346 3.824 20 0 BHADRO CC(=O)CC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000771796731 585600260 /nfs/dbraw/zinc/60/02/60/585600260.db2.gz XYYVNJMOPNUBET-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[N@H+](CCC(C)=O)[C@@H](CC)c1ccccc1 ZINC000771814008 585601132 /nfs/dbraw/zinc/60/11/32/585601132.db2.gz CLBAFPWYZGDJAC-INIZCTEOSA-N 1 0 247.382 3.829 20 0 BHADRO CCC[N@H+](CCC(C)=O)[C@H](CC)c1ccccc1 ZINC000771814009 585601066 /nfs/dbraw/zinc/60/10/66/585601066.db2.gz CLBAFPWYZGDJAC-MRXNPFEDSA-N 1 0 247.382 3.829 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H]1CCOC1)C(C)(C)C ZINC000771852168 585602487 /nfs/dbraw/zinc/60/24/87/585602487.db2.gz HGGISYYWQFWDIC-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H]1CCOC1)C(C)(C)C ZINC000771852169 585602475 /nfs/dbraw/zinc/60/24/75/585602475.db2.gz HGGISYYWQFWDIC-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H]1CCOC1)C(C)(C)C ZINC000771852170 585602442 /nfs/dbraw/zinc/60/24/42/585602442.db2.gz HGGISYYWQFWDIC-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H]1CCOC1)C(C)(C)C ZINC000771852173 585602419 /nfs/dbraw/zinc/60/24/19/585602419.db2.gz HGGISYYWQFWDIC-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[N@H+](Cc1ccoc1)Cc1ccccc1 ZINC000771924832 585604792 /nfs/dbraw/zinc/60/47/92/585604792.db2.gz QLIFJTGCFDYNFQ-UHFFFAOYSA-N 1 0 229.323 3.690 20 0 BHADRO Fc1ccc(C[N@H+](Cc2ccoc2)C2CC2)cc1 ZINC000771935104 585605074 /nfs/dbraw/zinc/60/50/74/585605074.db2.gz HPRXHKCNRWYZRR-UHFFFAOYSA-N 1 0 245.297 3.583 20 0 BHADRO CCC[N@H+](CC)Cc1cc2cccc(OC)c2o1 ZINC000771935378 585605035 /nfs/dbraw/zinc/60/50/35/585605035.db2.gz OCRXKZNLHDNSDI-UHFFFAOYSA-N 1 0 247.338 3.673 20 0 BHADRO Cc1ccc(COC(=O)CCC(C)(C)C)c(C)n1 ZINC000772141663 585609175 /nfs/dbraw/zinc/60/91/75/585609175.db2.gz VRTCPXYWBRUMBY-UHFFFAOYSA-N 1 0 249.354 3.568 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1cccs1 ZINC000772341037 585613148 /nfs/dbraw/zinc/61/31/48/585613148.db2.gz BFPMZIKEAIYUDQ-NEPJUHHUSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1cccs1 ZINC000772341038 585613047 /nfs/dbraw/zinc/61/30/47/585613047.db2.gz BFPMZIKEAIYUDQ-NWDGAFQWSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1cccs1 ZINC000772341039 585612977 /nfs/dbraw/zinc/61/29/77/585612977.db2.gz BFPMZIKEAIYUDQ-RYUDHWBXSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1cccs1 ZINC000772341040 585613070 /nfs/dbraw/zinc/61/30/70/585613070.db2.gz BFPMZIKEAIYUDQ-VXGBXAGGSA-N 1 0 223.385 3.554 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000772349857 585613078 /nfs/dbraw/zinc/61/30/78/585613078.db2.gz XQAVAKKHYSXUAU-NEPJUHHUSA-N 1 0 236.359 3.561 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000772349859 585613156 /nfs/dbraw/zinc/61/31/56/585613156.db2.gz XQAVAKKHYSXUAU-NWDGAFQWSA-N 1 0 236.359 3.561 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000772349860 585613051 /nfs/dbraw/zinc/61/30/51/585613051.db2.gz XQAVAKKHYSXUAU-RYUDHWBXSA-N 1 0 236.359 3.561 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ncc(C(C)C)o1 ZINC000772349861 585612893 /nfs/dbraw/zinc/61/28/93/585612893.db2.gz XQAVAKKHYSXUAU-VXGBXAGGSA-N 1 0 236.359 3.561 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCCCC(C)C ZINC000772455511 585615855 /nfs/dbraw/zinc/61/58/55/585615855.db2.gz YKROWSCGCKTQGD-AWEZNQCLSA-N 1 0 234.387 3.867 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCCCC(C)C ZINC000772455514 585615969 /nfs/dbraw/zinc/61/59/69/585615969.db2.gz YKROWSCGCKTQGD-CQSZACIVSA-N 1 0 234.387 3.867 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000772480306 585616177 /nfs/dbraw/zinc/61/61/77/585616177.db2.gz CVIZJJYBDDQNIO-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000772480310 585616274 /nfs/dbraw/zinc/61/62/74/585616274.db2.gz CVIZJJYBDDQNIO-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000772480316 585616271 /nfs/dbraw/zinc/61/62/71/585616271.db2.gz CVIZJJYBDDQNIO-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000772480322 585616115 /nfs/dbraw/zinc/61/61/15/585616115.db2.gz CVIZJJYBDDQNIO-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO CC(=O)CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000772746679 585622708 /nfs/dbraw/zinc/62/27/08/585622708.db2.gz FPNREKFTNJDBSP-UHFFFAOYSA-N 1 0 247.382 3.514 20 0 BHADRO CC(C)[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000772777170 585623493 /nfs/dbraw/zinc/62/34/93/585623493.db2.gz MSKSJSDOLGTSCD-UHFFFAOYSA-N 1 0 221.344 3.823 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccn1 ZINC000772878530 585626124 /nfs/dbraw/zinc/62/61/24/585626124.db2.gz MLGOUVDFANKXKE-HNNXBMFYSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccn1 ZINC000772878531 585626016 /nfs/dbraw/zinc/62/60/16/585626016.db2.gz MLGOUVDFANKXKE-OAHLLOKOSA-N 1 0 244.382 3.701 20 0 BHADRO CCC(CC)[NH2+]Cc1nccc2ccccc21 ZINC000772949442 585627970 /nfs/dbraw/zinc/62/79/70/585627970.db2.gz AQAPGOUNVKQQAT-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO Cc1cccc(OCCC[NH2+][C@@H](C)C2CCC2)c1 ZINC000772950015 585628055 /nfs/dbraw/zinc/62/80/55/585628055.db2.gz CWNDNFBRZRXRJL-AWEZNQCLSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCCC[NH2+][C@H](C)C2CCC2)c1 ZINC000772950017 585628100 /nfs/dbraw/zinc/62/81/00/585628100.db2.gz CWNDNFBRZRXRJL-CQSZACIVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]([NH2+]CCCOc1cccc(C)c1)C1CC1 ZINC000772954145 585628312 /nfs/dbraw/zinc/62/83/12/585628312.db2.gz WUBCILDSLWLLAW-INIZCTEOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]CCCOc1cccc(C)c1)C1CC1 ZINC000772954147 585628229 /nfs/dbraw/zinc/62/82/29/585628229.db2.gz WUBCILDSLWLLAW-MRXNPFEDSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000772954832 585628141 /nfs/dbraw/zinc/62/81/41/585628141.db2.gz PMLJARRHXLBYQS-DZGCQCFKSA-N 1 0 245.366 3.845 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000772954834 585628172 /nfs/dbraw/zinc/62/81/72/585628172.db2.gz PMLJARRHXLBYQS-HIFRSBDPSA-N 1 0 245.366 3.845 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000772954836 585628162 /nfs/dbraw/zinc/62/81/62/585628162.db2.gz PMLJARRHXLBYQS-UKRRQHHQSA-N 1 0 245.366 3.845 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000772954838 585628342 /nfs/dbraw/zinc/62/83/42/585628342.db2.gz PMLJARRHXLBYQS-ZFWWWQNUSA-N 1 0 245.366 3.845 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000772957968 585628346 /nfs/dbraw/zinc/62/83/46/585628346.db2.gz GMQRDKSDJRIYBL-DGFSRKRXSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000772957969 585628235 /nfs/dbraw/zinc/62/82/35/585628235.db2.gz GMQRDKSDJRIYBL-RIEGTJTDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000772957970 585628211 /nfs/dbraw/zinc/62/82/11/585628211.db2.gz GMQRDKSDJRIYBL-WDBKCZKBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000772957971 585628345 /nfs/dbraw/zinc/62/83/45/585628345.db2.gz GMQRDKSDJRIYBL-YVLXSGLVSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](C)C1 ZINC000772959478 585628151 /nfs/dbraw/zinc/62/81/51/585628151.db2.gz PRXITQWLOOOONN-FFSVYQOJSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H](C)C1 ZINC000772959479 585628171 /nfs/dbraw/zinc/62/81/71/585628171.db2.gz PRXITQWLOOOONN-GHJWDPDVSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000772959480 585628269 /nfs/dbraw/zinc/62/82/69/585628269.db2.gz PRXITQWLOOOONN-KFNAQCHYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](C)C1 ZINC000772959481 585628273 /nfs/dbraw/zinc/62/82/73/585628273.db2.gz PRXITQWLOOOONN-RBOXIYTFSA-N 1 0 229.367 3.761 20 0 BHADRO CC[C@H]([NH2+]C1CCC1)c1ccc2c(c1)CCCO2 ZINC000772961532 585628137 /nfs/dbraw/zinc/62/81/37/585628137.db2.gz VSZLSLWMIKXALU-HNNXBMFYSA-N 1 0 245.366 3.605 20 0 BHADRO CC[C@@H]([NH2+]C1CCC1)c1ccc2c(c1)CCCO2 ZINC000772961533 585628231 /nfs/dbraw/zinc/62/82/31/585628231.db2.gz VSZLSLWMIKXALU-OAHLLOKOSA-N 1 0 245.366 3.605 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000772999375 585629152 /nfs/dbraw/zinc/62/91/52/585629152.db2.gz JPNDKMXTEJITLP-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000772999376 585629237 /nfs/dbraw/zinc/62/92/37/585629237.db2.gz JPNDKMXTEJITLP-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000773000056 585629170 /nfs/dbraw/zinc/62/91/70/585629170.db2.gz KAULLCCGDNYBSD-GDBMZVCRSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000773000057 585629342 /nfs/dbraw/zinc/62/93/42/585629342.db2.gz KAULLCCGDNYBSD-GOEBONIOSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000773000058 585629166 /nfs/dbraw/zinc/62/91/66/585629166.db2.gz KAULLCCGDNYBSD-HOCLYGCPSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000773000059 585629155 /nfs/dbraw/zinc/62/91/55/585629155.db2.gz KAULLCCGDNYBSD-ZBFHGGJFSA-N 1 0 227.351 3.681 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CCCC2CC2)ccc1F ZINC000773000319 585629371 /nfs/dbraw/zinc/62/93/71/585629371.db2.gz MAUUVANDHLQLQA-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CCCC2CC2)ccc1F ZINC000773000338 585628958 /nfs/dbraw/zinc/62/89/58/585628958.db2.gz MAUUVANDHLQLQA-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC1CC1 ZINC000773003826 585629219 /nfs/dbraw/zinc/62/92/19/585629219.db2.gz XRCKVQDVOXKEAV-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCC1CC1 ZINC000773003829 585629206 /nfs/dbraw/zinc/62/92/06/585629206.db2.gz XRCKVQDVOXKEAV-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+]CCC1CCC1 ZINC000773033653 585629774 /nfs/dbraw/zinc/62/97/74/585629774.db2.gz BYAHHOCRSTZHPC-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+]CCC1CCC1 ZINC000773033660 585629756 /nfs/dbraw/zinc/62/97/56/585629756.db2.gz BYAHHOCRSTZHPC-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1CCC1 ZINC000773033805 585629809 /nfs/dbraw/zinc/62/98/09/585629809.db2.gz CPUGZIUCUWVDAU-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CCC1 ZINC000773033808 585629849 /nfs/dbraw/zinc/62/98/49/585629849.db2.gz CPUGZIUCUWVDAU-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccc2c(c1)COC2 ZINC000773034630 585629686 /nfs/dbraw/zinc/62/96/86/585629686.db2.gz HHUNMKBTUJAMGX-GFCCVEGCSA-N 1 0 245.366 3.558 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccc2c(c1)COC2 ZINC000773034633 585629648 /nfs/dbraw/zinc/62/96/48/585629648.db2.gz HHUNMKBTUJAMGX-LBPRGKRZSA-N 1 0 245.366 3.558 20 0 BHADRO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1CCC1 ZINC000773035171 585630013 /nfs/dbraw/zinc/63/00/13/585630013.db2.gz KMBQSTXKDHGUSQ-HNNXBMFYSA-N 1 0 245.366 3.680 20 0 BHADRO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CCC1 ZINC000773035175 585630028 /nfs/dbraw/zinc/63/00/28/585630028.db2.gz KMBQSTXKDHGUSQ-OAHLLOKOSA-N 1 0 245.366 3.680 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+]CCC1CCC1 ZINC000773036156 585629989 /nfs/dbraw/zinc/62/99/89/585629989.db2.gz NBMYPMIKVYWNJY-INIZCTEOSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+]CCC1CCC1 ZINC000773036158 585629906 /nfs/dbraw/zinc/62/99/06/585629906.db2.gz NBMYPMIKVYWNJY-MRXNPFEDSA-N 1 0 229.367 3.762 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccccc1N(C)C ZINC000773037262 585630021 /nfs/dbraw/zinc/63/00/21/585630021.db2.gz RNJBUQSCLOJNLU-CYBMUJFWSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccccc1N(C)C ZINC000773037264 585629967 /nfs/dbraw/zinc/62/99/67/585629967.db2.gz RNJBUQSCLOJNLU-ZDUSSCGKSA-N 1 0 246.398 3.593 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCC1CCC1 ZINC000773037336 585629996 /nfs/dbraw/zinc/62/99/96/585629996.db2.gz TYHQJAPZMRVQFD-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC1CCC1 ZINC000773037339 585630047 /nfs/dbraw/zinc/63/00/47/585630047.db2.gz TYHQJAPZMRVQFD-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO Cc1ccccc1C[C@H](C)[NH2+]CCC1CCC1 ZINC000773037485 585629988 /nfs/dbraw/zinc/62/99/88/585629988.db2.gz VLCPIYVURFNDLI-AWEZNQCLSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC1CCC1 ZINC000773037504 585629950 /nfs/dbraw/zinc/62/99/50/585629950.db2.gz VLCPIYVURFNDLI-CQSZACIVSA-N 1 0 231.383 3.706 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CCC2)c(C)n1 ZINC000773037515 585629960 /nfs/dbraw/zinc/62/99/60/585629960.db2.gz VOTOPAZRIJMOAJ-GFCCVEGCSA-N 1 0 232.371 3.539 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CCC2)c(C)n1 ZINC000773037555 585629855 /nfs/dbraw/zinc/62/98/55/585629855.db2.gz VOTOPAZRIJMOAJ-LBPRGKRZSA-N 1 0 232.371 3.539 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CC2(C)CC2)c1 ZINC000773041844 585629872 /nfs/dbraw/zinc/62/98/72/585629872.db2.gz QYRZOSLKLZBEQI-GFCCVEGCSA-N 1 0 233.355 3.536 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000773041847 585629897 /nfs/dbraw/zinc/62/98/97/585629897.db2.gz QYRZOSLKLZBEQI-LBPRGKRZSA-N 1 0 233.355 3.536 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C)CCC1 ZINC000773042464 585629856 /nfs/dbraw/zinc/62/98/56/585629856.db2.gz APAKGXNQRPFUAN-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(C)CCC1 ZINC000773042468 585630038 /nfs/dbraw/zinc/63/00/38/585630038.db2.gz APAKGXNQRPFUAN-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CCC1(C[NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000773044414 585629913 /nfs/dbraw/zinc/62/99/13/585629913.db2.gz GSFHGRNZNRGGTC-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000773044416 585629884 /nfs/dbraw/zinc/62/98/84/585629884.db2.gz GSFHGRNZNRGGTC-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CC2(CC)CC2)c1 ZINC000773045331 585630059 /nfs/dbraw/zinc/63/00/59/585630059.db2.gz IGEDNBMCVCSVQT-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CC2(CC)CC2)c1 ZINC000773045333 585630015 /nfs/dbraw/zinc/63/00/15/585630015.db2.gz IGEDNBMCVCSVQT-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CC(C)C)c(C)c1 ZINC000773050199 585630201 /nfs/dbraw/zinc/63/02/01/585630201.db2.gz FWMQCRPEEQGGTN-CYBMUJFWSA-N 1 0 235.371 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CC(C)C)c(C)c1 ZINC000773050200 585630181 /nfs/dbraw/zinc/63/01/81/585630181.db2.gz FWMQCRPEEQGGTN-ZDUSSCGKSA-N 1 0 235.371 3.528 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000773054656 585630111 /nfs/dbraw/zinc/63/01/11/585630111.db2.gz WAMBPSNUDRYCSW-BLLLJJGKSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000773054657 585630076 /nfs/dbraw/zinc/63/00/76/585630076.db2.gz WAMBPSNUDRYCSW-LRDDRELGSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000773054658 585630119 /nfs/dbraw/zinc/63/01/19/585630119.db2.gz WAMBPSNUDRYCSW-MLGOLLRUSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c(C)c1 ZINC000773054659 585630178 /nfs/dbraw/zinc/63/01/78/585630178.db2.gz WAMBPSNUDRYCSW-WBMJQRKESA-N 1 0 247.382 3.672 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccn1 ZINC000773057816 585630445 /nfs/dbraw/zinc/63/04/45/585630445.db2.gz GHBDIGHEKSCEGX-DZKIICNBSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000773057817 585630333 /nfs/dbraw/zinc/63/03/33/585630333.db2.gz GHBDIGHEKSCEGX-FMKPAKJESA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccn1 ZINC000773057819 585630473 /nfs/dbraw/zinc/63/04/73/585630473.db2.gz GHBDIGHEKSCEGX-LZWOXQAQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccn1 ZINC000773057820 585630348 /nfs/dbraw/zinc/63/03/48/585630348.db2.gz GHBDIGHEKSCEGX-YCPHGPKFSA-N 1 0 246.398 3.947 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CC2CCC2)c(C)c1 ZINC000773059280 585630294 /nfs/dbraw/zinc/63/02/94/585630294.db2.gz MRJLZZJFSWOCFZ-CYBMUJFWSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CC2CCC2)c(C)c1 ZINC000773059281 585630494 /nfs/dbraw/zinc/63/04/94/585630494.db2.gz MRJLZZJFSWOCFZ-ZDUSSCGKSA-N 1 0 247.382 3.672 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773065594 643765697 /nfs/dbraw/zinc/76/56/97/643765697.db2.gz LXDLPMWHKFLWQK-KBPBESRZSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773065595 643764766 /nfs/dbraw/zinc/76/47/66/643764766.db2.gz LXDLPMWHKFLWQK-KGLIPLIRSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773065596 643765190 /nfs/dbraw/zinc/76/51/90/643765190.db2.gz LXDLPMWHKFLWQK-UONOGXRCSA-N 1 0 249.402 3.736 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773065597 643766046 /nfs/dbraw/zinc/76/60/46/643766046.db2.gz LXDLPMWHKFLWQK-ZIAGYGMSSA-N 1 0 249.402 3.736 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773065747 585630360 /nfs/dbraw/zinc/63/03/60/585630360.db2.gz QTNKIOODXJHULC-GXTWGEPZSA-N 1 0 249.402 3.736 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773065748 585630354 /nfs/dbraw/zinc/63/03/54/585630354.db2.gz QTNKIOODXJHULC-JSGCOSHPSA-N 1 0 249.402 3.736 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773065749 585630337 /nfs/dbraw/zinc/63/03/37/585630337.db2.gz QTNKIOODXJHULC-OCCSQVGLSA-N 1 0 249.402 3.736 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773065750 585630448 /nfs/dbraw/zinc/63/04/48/585630448.db2.gz QTNKIOODXJHULC-TZMCWYRMSA-N 1 0 249.402 3.736 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccoc1 ZINC000773067797 585630680 /nfs/dbraw/zinc/63/06/80/585630680.db2.gz KWYIHPBUQCJKEL-CYBMUJFWSA-N 1 0 229.323 3.747 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccoc1 ZINC000773067800 585630630 /nfs/dbraw/zinc/63/06/30/585630630.db2.gz KWYIHPBUQCJKEL-ZDUSSCGKSA-N 1 0 229.323 3.747 20 0 BHADRO CCCC[C@@H](COC)[NH2+]Cc1c(C)cccc1C ZINC000773068644 585630716 /nfs/dbraw/zinc/63/07/16/585630716.db2.gz PBRWREHEQKQEOB-HNNXBMFYSA-N 1 0 249.398 3.598 20 0 BHADRO CCCC[C@H](COC)[NH2+]Cc1c(C)cccc1C ZINC000773068647 585630658 /nfs/dbraw/zinc/63/06/58/585630658.db2.gz PBRWREHEQKQEOB-OAHLLOKOSA-N 1 0 249.398 3.598 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H](C)c1cncs1 ZINC000773069101 585630669 /nfs/dbraw/zinc/63/06/69/585630669.db2.gz QJBXFZCULQLSOK-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1cncs1 ZINC000773069105 585630553 /nfs/dbraw/zinc/63/05/53/585630553.db2.gz QJBXFZCULQLSOK-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCOc1cccc(CC[NH2+]C2CCCC2)c1 ZINC000773075332 585020881 /nfs/dbraw/zinc/02/08/81/585020881.db2.gz WWBAUWKWTCUQJJ-UHFFFAOYSA-N 1 0 247.382 3.550 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773084010 585630751 /nfs/dbraw/zinc/63/07/51/585630751.db2.gz AONVQAYGSSCRIX-AAEUAGOBSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773084012 585630803 /nfs/dbraw/zinc/63/08/03/585630803.db2.gz AONVQAYGSSCRIX-DGCLKSJQSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773084014 585630847 /nfs/dbraw/zinc/63/08/47/585630847.db2.gz AONVQAYGSSCRIX-WCQYABFASA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773084016 585630974 /nfs/dbraw/zinc/63/09/74/585630974.db2.gz AONVQAYGSSCRIX-YPMHNXCESA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773089389 585631013 /nfs/dbraw/zinc/63/10/13/585631013.db2.gz QGRSMWJRXZWGSO-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773089391 585631271 /nfs/dbraw/zinc/63/12/71/585631271.db2.gz QGRSMWJRXZWGSO-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773095229 585631462 /nfs/dbraw/zinc/63/14/62/585631462.db2.gz LIYHEKHGHQKBLO-GFCCVEGCSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773095232 585631588 /nfs/dbraw/zinc/63/15/88/585631588.db2.gz LIYHEKHGHQKBLO-LBPRGKRZSA-N 1 0 238.350 3.669 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773095983 585631560 /nfs/dbraw/zinc/63/15/60/585631560.db2.gz NHIDXFRNWBGSQN-NEPJUHHUSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(F)n1 ZINC000773095986 585631540 /nfs/dbraw/zinc/63/15/40/585631540.db2.gz NHIDXFRNWBGSQN-NWDGAFQWSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773095988 585631438 /nfs/dbraw/zinc/63/14/38/585631438.db2.gz NHIDXFRNWBGSQN-RYUDHWBXSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000773095992 585631544 /nfs/dbraw/zinc/63/15/44/585631544.db2.gz NHIDXFRNWBGSQN-VXGBXAGGSA-N 1 0 238.350 3.525 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000773098553 585631477 /nfs/dbraw/zinc/63/14/77/585631477.db2.gz MIMXCZFISIBWOK-INIZCTEOSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000773098555 585631400 /nfs/dbraw/zinc/63/14/00/585631400.db2.gz MIMXCZFISIBWOK-MRXNPFEDSA-N 1 0 241.378 3.762 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773114037 585631759 /nfs/dbraw/zinc/63/17/59/585631759.db2.gz CGDYTYZLKFADON-CHWSQXEVSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773114042 585631768 /nfs/dbraw/zinc/63/17/68/585631768.db2.gz CGDYTYZLKFADON-OLZOCXBDSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773114044 585631867 /nfs/dbraw/zinc/63/18/67/585631867.db2.gz CGDYTYZLKFADON-QWHCGFSZSA-N 1 0 228.339 3.735 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773114050 585631697 /nfs/dbraw/zinc/63/16/97/585631697.db2.gz CGDYTYZLKFADON-STQMWFEESA-N 1 0 228.339 3.735 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773114993 585631637 /nfs/dbraw/zinc/63/16/37/585631637.db2.gz DOKAXMXWIYLBPL-GWCFXTLKSA-N 1 0 246.379 3.804 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773114996 585631846 /nfs/dbraw/zinc/63/18/46/585631846.db2.gz DOKAXMXWIYLBPL-GXFFZTMASA-N 1 0 246.379 3.804 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773115000 585631863 /nfs/dbraw/zinc/63/18/63/585631863.db2.gz DOKAXMXWIYLBPL-MFKMUULPSA-N 1 0 246.379 3.804 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773115004 585631856 /nfs/dbraw/zinc/63/18/56/585631856.db2.gz DOKAXMXWIYLBPL-ZWNOBZJWSA-N 1 0 246.379 3.804 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc[nH]1)CC2 ZINC000773117086 585631621 /nfs/dbraw/zinc/63/16/21/585631621.db2.gz JYWGYFUSZCWPAU-BLLLJJGKSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)CC2 ZINC000773117087 585631765 /nfs/dbraw/zinc/63/17/65/585631765.db2.gz JYWGYFUSZCWPAU-LRDDRELGSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc[nH]1)CC2 ZINC000773117089 585631715 /nfs/dbraw/zinc/63/17/15/585631715.db2.gz JYWGYFUSZCWPAU-MLGOLLRUSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc[nH]1)CC2 ZINC000773117091 585631796 /nfs/dbraw/zinc/63/17/96/585631796.db2.gz JYWGYFUSZCWPAU-WBMJQRKESA-N 1 0 240.350 3.661 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)o1 ZINC000773117094 585631823 /nfs/dbraw/zinc/63/18/23/585631823.db2.gz KFJFVHVYUYIVJA-GHMZBOCLSA-N 1 0 232.327 3.582 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)o1 ZINC000773117096 585631731 /nfs/dbraw/zinc/63/17/31/585631731.db2.gz KFJFVHVYUYIVJA-MNOVXSKESA-N 1 0 232.327 3.582 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)o1 ZINC000773117098 585631452 /nfs/dbraw/zinc/63/14/52/585631452.db2.gz KFJFVHVYUYIVJA-QWRGUYRKSA-N 1 0 232.327 3.582 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)o1 ZINC000773117100 585631460 /nfs/dbraw/zinc/63/14/60/585631460.db2.gz KFJFVHVYUYIVJA-WDEREUQCSA-N 1 0 232.327 3.582 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773118150 585631687 /nfs/dbraw/zinc/63/16/87/585631687.db2.gz MSQPPICHTLUBKL-BLLLJJGKSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773118154 585631680 /nfs/dbraw/zinc/63/16/80/585631680.db2.gz MSQPPICHTLUBKL-LRDDRELGSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc[nH]1 ZINC000773118158 585631662 /nfs/dbraw/zinc/63/16/62/585631662.db2.gz MSQPPICHTLUBKL-MLGOLLRUSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc[nH]1 ZINC000773118162 585631649 /nfs/dbraw/zinc/63/16/49/585631649.db2.gz MSQPPICHTLUBKL-WBMJQRKESA-N 1 0 240.350 3.661 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773119315 585631895 /nfs/dbraw/zinc/63/18/95/585631895.db2.gz ODGLJFXJRHNSDO-CHWSQXEVSA-N 1 0 242.366 3.989 20 0 BHADRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773119317 585631707 /nfs/dbraw/zinc/63/17/07/585631707.db2.gz ODGLJFXJRHNSDO-OLZOCXBDSA-N 1 0 242.366 3.989 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773119321 585631695 /nfs/dbraw/zinc/63/16/95/585631695.db2.gz ODGLJFXJRHNSDO-QWHCGFSZSA-N 1 0 242.366 3.989 20 0 BHADRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773119334 585631873 /nfs/dbraw/zinc/63/18/73/585631873.db2.gz ODGLJFXJRHNSDO-STQMWFEESA-N 1 0 242.366 3.989 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1C(C)(C)C1(C)C)c1ccc[nH]1 ZINC000773121523 585632097 /nfs/dbraw/zinc/63/20/97/585632097.db2.gz ROHWUBFSACRMMR-GHMZBOCLSA-N 1 0 234.387 3.736 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1ccc[nH]1 ZINC000773121525 585631384 /nfs/dbraw/zinc/63/13/84/585631384.db2.gz ROHWUBFSACRMMR-MNOVXSKESA-N 1 0 234.387 3.736 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)c1ccc[nH]1 ZINC000773121527 585631328 /nfs/dbraw/zinc/63/13/28/585631328.db2.gz ROHWUBFSACRMMR-QWRGUYRKSA-N 1 0 234.387 3.736 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)C1C(C)(C)C1(C)C ZINC000773121530 585631422 /nfs/dbraw/zinc/63/14/22/585631422.db2.gz ROHWUBFSACRMMR-WDEREUQCSA-N 1 0 234.387 3.736 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccc[nH]1 ZINC000773122390 585632181 /nfs/dbraw/zinc/63/21/81/585632181.db2.gz SVZGKTDHYKKTLL-AGIUHOORSA-N 1 0 234.387 3.880 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccc[nH]1 ZINC000773122393 585631990 /nfs/dbraw/zinc/63/19/90/585631990.db2.gz SVZGKTDHYKKTLL-AVGNSLFASA-N 1 0 234.387 3.880 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccc[nH]1 ZINC000773122394 585632131 /nfs/dbraw/zinc/63/21/31/585632131.db2.gz SVZGKTDHYKKTLL-FRRDWIJNSA-N 1 0 234.387 3.880 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccc[nH]1 ZINC000773122397 585632019 /nfs/dbraw/zinc/63/20/19/585632019.db2.gz SVZGKTDHYKKTLL-RWMBFGLXSA-N 1 0 234.387 3.880 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773123758 585632064 /nfs/dbraw/zinc/63/20/64/585632064.db2.gz VYEWOHTXTKIDCG-BLLLJJGKSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773123760 585632053 /nfs/dbraw/zinc/63/20/53/585632053.db2.gz VYEWOHTXTKIDCG-LRDDRELGSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc[nH]1 ZINC000773123762 585631978 /nfs/dbraw/zinc/63/19/78/585631978.db2.gz VYEWOHTXTKIDCG-MLGOLLRUSA-N 1 0 240.350 3.661 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc[nH]1 ZINC000773123763 585632188 /nfs/dbraw/zinc/63/21/88/585632188.db2.gz VYEWOHTXTKIDCG-WBMJQRKESA-N 1 0 240.350 3.661 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000773125288 585632000 /nfs/dbraw/zinc/63/20/00/585632000.db2.gz ZHSNDVHWBNDKSI-CVEARBPZSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000773125291 585632128 /nfs/dbraw/zinc/63/21/28/585632128.db2.gz ZHSNDVHWBNDKSI-HOTGVXAUSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000773125292 585631965 /nfs/dbraw/zinc/63/19/65/585631965.db2.gz ZHSNDVHWBNDKSI-HZPDHXFCSA-N 1 0 246.398 3.839 20 0 BHADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000773125295 585632085 /nfs/dbraw/zinc/63/20/85/585632085.db2.gz ZHSNDVHWBNDKSI-JKSUJKDBSA-N 1 0 246.398 3.839 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000773129422 585632274 /nfs/dbraw/zinc/63/22/74/585632274.db2.gz GBMXFTSDOMNYAV-HNNXBMFYSA-N 1 0 233.330 3.735 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000773129423 585632209 /nfs/dbraw/zinc/63/22/09/585632209.db2.gz GBMXFTSDOMNYAV-OAHLLOKOSA-N 1 0 233.330 3.735 20 0 BHADRO Cc1cc(C[NH2+]CCc2sccc2C)c(C)o1 ZINC000773408552 585636345 /nfs/dbraw/zinc/63/63/45/585636345.db2.gz HVLKYYVOTKSUDG-UHFFFAOYSA-N 1 0 249.379 3.599 20 0 BHADRO CCCCCC[N@H+](C)[C@H](CC)CSC ZINC000773701270 585642664 /nfs/dbraw/zinc/64/26/64/585642664.db2.gz DNSNBAIOXXYFCJ-GFCCVEGCSA-N 1 0 217.422 3.640 20 0 BHADRO CCCCCC[N@H+](C)[C@@H](CC)CSC ZINC000773701314 585642592 /nfs/dbraw/zinc/64/25/92/585642592.db2.gz DNSNBAIOXXYFCJ-LBPRGKRZSA-N 1 0 217.422 3.640 20 0 BHADRO CC1(C)c2ccccc2CC[N@H+]1C/C=C\Cl ZINC000773761717 585643472 /nfs/dbraw/zinc/64/34/72/585643472.db2.gz QOOQARULDLFLBX-UITAMQMPSA-N 1 0 235.758 3.532 20 0 BHADRO CC1(C)c2ccccc2CC[N@H+]1C/C=C/Cl ZINC000773761768 585643532 /nfs/dbraw/zinc/64/35/32/585643532.db2.gz QOOQARULDLFLBX-WEVVVXLNSA-N 1 0 235.758 3.532 20 0 BHADRO CC(C)[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000773764685 585643419 /nfs/dbraw/zinc/64/34/19/585643419.db2.gz BKCPNPMQKUDRPT-UHFFFAOYSA-N 1 0 246.181 3.876 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)C/C=C\Cl ZINC000773935094 585646585 /nfs/dbraw/zinc/64/65/85/585646585.db2.gz OYSSLBJAYKDXJS-OYVUYXNMSA-N 1 0 237.774 3.610 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C/C=C/Cl ZINC000773935095 585646689 /nfs/dbraw/zinc/64/66/89/585646689.db2.gz OYSSLBJAYKDXJS-PPGNKHEKSA-N 1 0 237.774 3.610 20 0 BHADRO Cc1ccccc1C[C@H](C)[N@H+](C)C/C=C\Cl ZINC000773935096 585646649 /nfs/dbraw/zinc/64/66/49/585646649.db2.gz OYSSLBJAYKDXJS-XURPKSDJSA-N 1 0 237.774 3.610 20 0 BHADRO Cc1ccccc1C[C@@H](C)[N@H+](C)C/C=C/Cl ZINC000773935098 585646602 /nfs/dbraw/zinc/64/66/02/585646602.db2.gz OYSSLBJAYKDXJS-YSKGHYERSA-N 1 0 237.774 3.610 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C/C=C/Cl ZINC000773977546 585647719 /nfs/dbraw/zinc/64/77/19/585647719.db2.gz OKVHLGXHAPQSCR-LAHYYIKRSA-N 1 0 215.768 3.640 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C/C=C\Cl ZINC000773977550 585646564 /nfs/dbraw/zinc/64/65/64/585646564.db2.gz OKVHLGXHAPQSCR-WDDYJBPVSA-N 1 0 215.768 3.640 20 0 BHADRO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCC1CCC1 ZINC000774260611 585655300 /nfs/dbraw/zinc/65/53/00/585655300.db2.gz RPBCNXXOJZOBDN-INIZCTEOSA-N 1 0 244.382 3.713 20 0 BHADRO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCC1CCC1 ZINC000774260615 585655095 /nfs/dbraw/zinc/65/50/95/585655095.db2.gz RPBCNXXOJZOBDN-MRXNPFEDSA-N 1 0 244.382 3.713 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c(C)o1 ZINC000774265198 585655311 /nfs/dbraw/zinc/65/53/11/585655311.db2.gz IOQGJPVJUCNPPI-GHMZBOCLSA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c(C)o1 ZINC000774265200 585655443 /nfs/dbraw/zinc/65/54/43/585655443.db2.gz IOQGJPVJUCNPPI-MNOVXSKESA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c(C)o1 ZINC000774265201 585655408 /nfs/dbraw/zinc/65/54/08/585655408.db2.gz IOQGJPVJUCNPPI-QWRGUYRKSA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c(C)o1 ZINC000774265203 585655484 /nfs/dbraw/zinc/65/54/84/585655484.db2.gz IOQGJPVJUCNPPI-WDEREUQCSA-N 1 0 232.327 3.636 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000774482718 585660157 /nfs/dbraw/zinc/66/01/57/585660157.db2.gz CSIFMXKPLYIHNN-CVEARBPZSA-N 1 0 249.398 3.587 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000774482722 585660101 /nfs/dbraw/zinc/66/01/01/585660101.db2.gz CSIFMXKPLYIHNN-HOTGVXAUSA-N 1 0 249.398 3.587 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000774494174 585660351 /nfs/dbraw/zinc/66/03/51/585660351.db2.gz CSIFMXKPLYIHNN-HZPDHXFCSA-N 1 0 249.398 3.587 20 0 BHADRO CCCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000774494175 585660472 /nfs/dbraw/zinc/66/04/72/585660472.db2.gz CSIFMXKPLYIHNN-JKSUJKDBSA-N 1 0 249.398 3.587 20 0 BHADRO Cc1cc(OCc2ccc(CF)cc2)cc(C)[nH+]1 ZINC000774776224 585665741 /nfs/dbraw/zinc/66/57/41/585665741.db2.gz BPCWHHQLPAXDOK-UHFFFAOYSA-N 1 0 245.297 3.747 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCC=CO1)C1CCCCC1 ZINC000774819938 585666977 /nfs/dbraw/zinc/66/69/77/585666977.db2.gz FDDMQESATZCYEU-HNNXBMFYSA-N 1 0 237.387 3.722 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCC=CO1)C1CCCCC1 ZINC000774819939 585666965 /nfs/dbraw/zinc/66/69/65/585666965.db2.gz FDDMQESATZCYEU-OAHLLOKOSA-N 1 0 237.387 3.722 20 0 BHADRO CCCC[NH+](CCCC)C[C@@H]1CCC=CO1 ZINC000774821192 585666768 /nfs/dbraw/zinc/66/67/68/585666768.db2.gz LOKSNYYZOPCPOA-AWEZNQCLSA-N 1 0 225.376 3.581 20 0 BHADRO CCCC[NH+](CCCC)C[C@H]1CCC=CO1 ZINC000774821194 585666830 /nfs/dbraw/zinc/66/68/30/585666830.db2.gz LOKSNYYZOPCPOA-CQSZACIVSA-N 1 0 225.376 3.581 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC000774823258 585666934 /nfs/dbraw/zinc/66/69/34/585666934.db2.gz RWVAXLUEJVJRQG-INIZCTEOSA-N 1 0 245.366 3.591 20 0 BHADRO CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC000774823259 585666912 /nfs/dbraw/zinc/66/69/12/585666912.db2.gz RWVAXLUEJVJRQG-MRXNPFEDSA-N 1 0 245.366 3.591 20 0 BHADRO C1=CO[C@@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000774831235 585667015 /nfs/dbraw/zinc/66/70/15/585667015.db2.gz DYORFXUQVMMSBL-CVEARBPZSA-N 1 0 249.398 3.724 20 0 BHADRO C1=CO[C@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000774831242 585666804 /nfs/dbraw/zinc/66/68/04/585666804.db2.gz DYORFXUQVMMSBL-HOTGVXAUSA-N 1 0 249.398 3.724 20 0 BHADRO C1=CO[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000774831246 585036499 /nfs/dbraw/zinc/03/64/99/585036499.db2.gz DYORFXUQVMMSBL-HZPDHXFCSA-N 1 0 249.398 3.724 20 0 BHADRO C1=CO[C@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000774831252 585036408 /nfs/dbraw/zinc/03/64/08/585036408.db2.gz DYORFXUQVMMSBL-JKSUJKDBSA-N 1 0 249.398 3.724 20 0 BHADRO CC[N@@H+](Cc1ccccc1C)C[C@@H]1CCC=CO1 ZINC000774832608 585666711 /nfs/dbraw/zinc/66/67/11/585666711.db2.gz JFIZLVSIXQHRQH-INIZCTEOSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@@H+](Cc1ccccc1C)C[C@H]1CCC=CO1 ZINC000774832609 585666845 /nfs/dbraw/zinc/66/68/45/585666845.db2.gz JFIZLVSIXQHRQH-MRXNPFEDSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCC=CO1 ZINC000774833310 585666795 /nfs/dbraw/zinc/66/67/95/585666795.db2.gz ODWJINUFZAMZEM-INIZCTEOSA-N 1 0 245.366 3.510 20 0 BHADRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC=CO1 ZINC000774833311 585666852 /nfs/dbraw/zinc/66/68/52/585666852.db2.gz ODWJINUFZAMZEM-MRXNPFEDSA-N 1 0 245.366 3.510 20 0 BHADRO CCCCC[N@H+](C[C@@H]1CCC=CO1)C(C)C ZINC000774835135 585666997 /nfs/dbraw/zinc/66/69/97/585666997.db2.gz YKTHLSLYWIDYFI-AWEZNQCLSA-N 1 0 225.376 3.580 20 0 BHADRO CCCCC[N@H+](C[C@H]1CCC=CO1)C(C)C ZINC000774835138 585666887 /nfs/dbraw/zinc/66/68/87/585666887.db2.gz YKTHLSLYWIDYFI-CQSZACIVSA-N 1 0 225.376 3.580 20 0 BHADRO CC1CCC([N@H+](C[C@@H]2CCC=CO2)C2CC2)CC1 ZINC000774836007 585666924 /nfs/dbraw/zinc/66/69/24/585666924.db2.gz OTNNACAPMLLJTO-XUJLQICISA-N 1 0 249.398 3.722 20 0 BHADRO CC1CCC([N@H+](C[C@H]2CCC=CO2)C2CC2)CC1 ZINC000774836008 585667046 /nfs/dbraw/zinc/66/70/46/585667046.db2.gz OTNNACAPMLLJTO-ZBCRRDGASA-N 1 0 249.398 3.722 20 0 BHADRO CCC1CCC([N@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000774836760 585666789 /nfs/dbraw/zinc/66/67/89/585666789.db2.gz VMPWVYRAAZUKMJ-NRXISQOPSA-N 1 0 237.387 3.580 20 0 BHADRO CCC1CCC([N@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000774836766 585666918 /nfs/dbraw/zinc/66/69/18/585666918.db2.gz VMPWVYRAAZUKMJ-YMAMQOFZSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[N@H+](C[C@@H]1CCC=CO1)C1CCCC1 ZINC000774841651 585667212 /nfs/dbraw/zinc/66/72/12/585667212.db2.gz ZBJXWYLNZZUOJV-HNNXBMFYSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[N@H+](C[C@H]1CCC=CO1)C1CCCC1 ZINC000774841652 585667233 /nfs/dbraw/zinc/66/72/33/585667233.db2.gz ZBJXWYLNZZUOJV-OAHLLOKOSA-N 1 0 237.387 3.580 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)[C@@H]2CCCC[C@@H]12 ZINC000774841812 585667144 /nfs/dbraw/zinc/66/71/44/585667144.db2.gz XVMKHKLXXRKVSW-FXUDXRNXSA-N 1 0 249.398 3.580 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)[C@@H]2CCCC[C@H]12 ZINC000774841813 585667256 /nfs/dbraw/zinc/66/72/56/585667256.db2.gz XVMKHKLXXRKVSW-QKPAOTATSA-N 1 0 249.398 3.580 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)[C@H]2CCCC[C@H]12 ZINC000774841814 585667136 /nfs/dbraw/zinc/66/71/36/585667136.db2.gz XVMKHKLXXRKVSW-QXSJWSMHSA-N 1 0 249.398 3.580 20 0 BHADRO C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)[C@H]2CCCC[C@@H]12 ZINC000774841815 585667169 /nfs/dbraw/zinc/66/71/69/585667169.db2.gz XVMKHKLXXRKVSW-UGUYLWEFSA-N 1 0 249.398 3.580 20 0 BHADRO C1=CO[C@H](C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000774846746 585667214 /nfs/dbraw/zinc/66/72/14/585667214.db2.gz SMQMRYZWDQKQRV-INIZCTEOSA-N 1 0 249.398 3.724 20 0 BHADRO C1=CO[C@@H](C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000774846748 585667319 /nfs/dbraw/zinc/66/73/19/585667319.db2.gz SMQMRYZWDQKQRV-MRXNPFEDSA-N 1 0 249.398 3.724 20 0 BHADRO CC[C@H]([NH2+]CCCCCCCO)c1ccccc1 ZINC000774847667 585667427 /nfs/dbraw/zinc/66/74/27/585667427.db2.gz LHZXDLXWAGUGMG-INIZCTEOSA-N 1 0 249.398 3.670 20 0 BHADRO CC[C@@H]([NH2+]CCCCCCCO)c1ccccc1 ZINC000774847669 585667495 /nfs/dbraw/zinc/66/74/95/585667495.db2.gz LHZXDLXWAGUGMG-MRXNPFEDSA-N 1 0 249.398 3.670 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774861017 585667948 /nfs/dbraw/zinc/66/79/48/585667948.db2.gz DKAMEHITKMVEPJ-KBPBESRZSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774861021 585667795 /nfs/dbraw/zinc/66/77/95/585667795.db2.gz DKAMEHITKMVEPJ-KGLIPLIRSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774861024 585667842 /nfs/dbraw/zinc/66/78/42/585667842.db2.gz DKAMEHITKMVEPJ-UONOGXRCSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774861026 585667822 /nfs/dbraw/zinc/66/78/22/585667822.db2.gz DKAMEHITKMVEPJ-ZIAGYGMSSA-N 1 0 237.387 3.580 20 0 BHADRO C[N@H+](CCC1CCCCC1)C[C@@H]1CCC=CO1 ZINC000774868346 585668023 /nfs/dbraw/zinc/66/80/23/585668023.db2.gz FBUCLCWANZYNJR-HNNXBMFYSA-N 1 0 237.387 3.581 20 0 BHADRO C[N@H+](CCC1CCCCC1)C[C@H]1CCC=CO1 ZINC000774868351 585668313 /nfs/dbraw/zinc/66/83/13/585668313.db2.gz FBUCLCWANZYNJR-OAHLLOKOSA-N 1 0 237.387 3.581 20 0 BHADRO C[N@H+](C[C@@H]1CCC=CO1)C1CCCCCCC1 ZINC000774871194 585668226 /nfs/dbraw/zinc/66/82/26/585668226.db2.gz WIEIYTLMVPDMJU-HNNXBMFYSA-N 1 0 237.387 3.724 20 0 BHADRO C[N@H+](C[C@H]1CCC=CO1)C1CCCCCCC1 ZINC000774871197 585668046 /nfs/dbraw/zinc/66/80/46/585668046.db2.gz WIEIYTLMVPDMJU-OAHLLOKOSA-N 1 0 237.387 3.724 20 0 BHADRO C1=CO[C@H](C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000774874466 585668196 /nfs/dbraw/zinc/66/81/96/585668196.db2.gz CJEKSAUMFWTKTE-HNNXBMFYSA-N 1 0 249.398 3.725 20 0 BHADRO C1=CO[C@@H](C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000774874467 585668317 /nfs/dbraw/zinc/66/83/17/585668317.db2.gz CJEKSAUMFWTKTE-OAHLLOKOSA-N 1 0 249.398 3.725 20 0 BHADRO C1=CO[C@H](C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000774876766 585668026 /nfs/dbraw/zinc/66/80/26/585668026.db2.gz RPHMXPRWPAJQRM-INIZCTEOSA-N 1 0 249.398 3.724 20 0 BHADRO C1=CO[C@@H](C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000774876767 585668143 /nfs/dbraw/zinc/66/81/43/585668143.db2.gz RPHMXPRWPAJQRM-MRXNPFEDSA-N 1 0 249.398 3.724 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000774878522 585668506 /nfs/dbraw/zinc/66/85/06/585668506.db2.gz BWDGLBIVMDWUCC-GUTXKFCHSA-N 1 0 237.387 3.578 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774878523 585668716 /nfs/dbraw/zinc/66/87/16/585668716.db2.gz BWDGLBIVMDWUCC-GZBFAFLISA-N 1 0 237.387 3.578 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774878524 585668462 /nfs/dbraw/zinc/66/84/62/585668462.db2.gz BWDGLBIVMDWUCC-KCQAQPDRSA-N 1 0 237.387 3.578 20 0 BHADRO 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585669061 /nfs/dbraw/zinc/66/90/61/585669061.db2.gz YRLNAJARLQHUMN-CABCVRRESA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774910536 585669099 /nfs/dbraw/zinc/66/90/99/585669099.db2.gz YRLNAJARLQHUMN-GJZGRUSLSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774910537 585669006 /nfs/dbraw/zinc/66/90/06/585669006.db2.gz YRLNAJARLQHUMN-HUUCEWRRSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774910538 585668936 /nfs/dbraw/zinc/66/89/36/585668936.db2.gz YRLNAJARLQHUMN-LSDHHAIUSA-N 1 0 237.387 3.580 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774911568 585669292 /nfs/dbraw/zinc/66/92/92/585669292.db2.gz HQMOXLVLKXZHMO-CABCVRRESA-N 1 0 237.387 3.724 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774911570 585669421 /nfs/dbraw/zinc/66/94/21/585669421.db2.gz HQMOXLVLKXZHMO-GJZGRUSLSA-N 1 0 237.387 3.724 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774911571 585669461 /nfs/dbraw/zinc/66/94/61/585669461.db2.gz HQMOXLVLKXZHMO-HUUCEWRRSA-N 1 0 237.387 3.724 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774911573 585669471 /nfs/dbraw/zinc/66/94/71/585669471.db2.gz HQMOXLVLKXZHMO-LSDHHAIUSA-N 1 0 237.387 3.724 20 0 BHADRO COc1cc(C[NH2+]C2[C@H](C)CC[C@H]2C)ccc1C ZINC000775002632 585670412 /nfs/dbraw/zinc/67/04/12/585670412.db2.gz STBWILRMZIMZDH-CHWSQXEVSA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)ccc1C ZINC000775002635 585670434 /nfs/dbraw/zinc/67/04/34/585670434.db2.gz STBWILRMZIMZDH-STQMWFEESA-N 1 0 247.382 3.528 20 0 BHADRO COc1cc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)ccc1C ZINC000775002639 585670409 /nfs/dbraw/zinc/67/04/09/585670409.db2.gz STBWILRMZIMZDH-VIKVFOODSA-N 1 0 247.382 3.528 20 0 BHADRO C1=CO[C@H](C[NH2+]CCCCC2CCCC2)CC1 ZINC000775022128 585670363 /nfs/dbraw/zinc/67/03/63/585670363.db2.gz DWZHRRWESXWMJJ-HNNXBMFYSA-N 1 0 237.387 3.629 20 0 BHADRO C1=CO[C@@H](C[NH2+]CCCCC2CCCC2)CC1 ZINC000775022129 585670401 /nfs/dbraw/zinc/67/04/01/585670401.db2.gz DWZHRRWESXWMJJ-OAHLLOKOSA-N 1 0 237.387 3.629 20 0 BHADRO CC[C@](C)([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000775026897 585670640 /nfs/dbraw/zinc/67/06/40/585670640.db2.gz BNDRDEXWWMCFIY-CVEARBPZSA-N 1 0 245.366 3.594 20 0 BHADRO CC[C@](C)([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000775026898 585670480 /nfs/dbraw/zinc/67/04/80/585670480.db2.gz BNDRDEXWWMCFIY-HOTGVXAUSA-N 1 0 245.366 3.594 20 0 BHADRO CC[C@@](C)([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000775026900 585670674 /nfs/dbraw/zinc/67/06/74/585670674.db2.gz BNDRDEXWWMCFIY-HZPDHXFCSA-N 1 0 245.366 3.594 20 0 BHADRO CC[C@@](C)([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000775026902 585670534 /nfs/dbraw/zinc/67/05/34/585670534.db2.gz BNDRDEXWWMCFIY-JKSUJKDBSA-N 1 0 245.366 3.594 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000775030341 585670501 /nfs/dbraw/zinc/67/05/01/585670501.db2.gz SSFNNMZTVHBUKM-CTASWTNQSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000775030347 585670512 /nfs/dbraw/zinc/67/05/12/585670512.db2.gz SSFNNMZTVHBUKM-KNCOVGOOSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@H](C[NH2+]C1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000775030350 585670574 /nfs/dbraw/zinc/67/05/74/585670574.db2.gz SSFNNMZTVHBUKM-MELADBBJSA-N 1 0 231.383 3.814 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000775030352 585670507 /nfs/dbraw/zinc/67/05/07/585670507.db2.gz SSFNNMZTVHBUKM-MGPQQGTHSA-N 1 0 231.383 3.814 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000775032875 585670762 /nfs/dbraw/zinc/67/07/62/585670762.db2.gz XDFBBZNXFAVUJC-ILXRZTDVSA-N 1 0 237.387 3.628 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000775032876 585670725 /nfs/dbraw/zinc/67/07/25/585670725.db2.gz XDFBBZNXFAVUJC-KFWWJZLASA-N 1 0 237.387 3.628 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000775032878 585670726 /nfs/dbraw/zinc/67/07/26/585670726.db2.gz XDFBBZNXFAVUJC-QLFBSQMISA-N 1 0 237.387 3.628 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000775032881 585670716 /nfs/dbraw/zinc/67/07/16/585670716.db2.gz XDFBBZNXFAVUJC-RBSFLKMASA-N 1 0 237.387 3.628 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000775038338 585670913 /nfs/dbraw/zinc/67/09/13/585670913.db2.gz FOMFDKALDLYRJA-KBPBESRZSA-N 1 0 242.366 3.859 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000775038339 585036795 /nfs/dbraw/zinc/03/67/95/585036795.db2.gz FOMFDKALDLYRJA-KGLIPLIRSA-N 1 0 242.366 3.859 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc[nH]1 ZINC000775038340 585036976 /nfs/dbraw/zinc/03/69/76/585036976.db2.gz FOMFDKALDLYRJA-UONOGXRCSA-N 1 0 242.366 3.859 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)c1ccc[nH]1)c1ccccc1 ZINC000775038341 585036837 /nfs/dbraw/zinc/03/68/37/585036837.db2.gz FOMFDKALDLYRJA-ZIAGYGMSSA-N 1 0 242.366 3.859 20 0 BHADRO C[C@@H](C[NH2+]C12CCC(CC1)C2)c1ccccc1 ZINC000775061607 585671627 /nfs/dbraw/zinc/67/16/27/585671627.db2.gz YHLWIKXMSGRKSU-HLIUYOAVSA-N 1 0 229.367 3.712 20 0 BHADRO C[C@H](C[NH2+]C12CCC(CC1)C2)c1ccccc1 ZINC000775061609 585671411 /nfs/dbraw/zinc/67/14/11/585671411.db2.gz YHLWIKXMSGRKSU-VQCLRJIVSA-N 1 0 229.367 3.712 20 0 BHADRO CCC1(C[NH2+]C[C@@H]2CCC=CO2)CCCCC1 ZINC000775067914 585671492 /nfs/dbraw/zinc/67/14/92/585671492.db2.gz FXACIIWHMLGYQA-AWEZNQCLSA-N 1 0 237.387 3.629 20 0 BHADRO CCC1(C[NH2+]C[C@H]2CCC=CO2)CCCCC1 ZINC000775067921 585671482 /nfs/dbraw/zinc/67/14/82/585671482.db2.gz FXACIIWHMLGYQA-CQSZACIVSA-N 1 0 237.387 3.629 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000775073953 585671658 /nfs/dbraw/zinc/67/16/58/585671658.db2.gz JCXBTBVOFZCADB-INIZCTEOSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)c1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000775073971 585671874 /nfs/dbraw/zinc/67/18/74/585671874.db2.gz JCXBTBVOFZCADB-MRXNPFEDSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)(C[NH2+]C[C@@H]1CCC=CO1)C1=CCCCC1 ZINC000775077062 585671957 /nfs/dbraw/zinc/67/19/57/585671957.db2.gz UUTUDHVIVXNISQ-HNNXBMFYSA-N 1 0 249.398 3.795 20 0 BHADRO CC(C)(C[NH2+]C[C@H]1CCC=CO1)C1=CCCCC1 ZINC000775077063 585029661 /nfs/dbraw/zinc/02/96/61/585029661.db2.gz UUTUDHVIVXNISQ-OAHLLOKOSA-N 1 0 249.398 3.795 20 0 BHADRO CCC1(CC)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000775083279 585671935 /nfs/dbraw/zinc/67/19/35/585671935.db2.gz XJNKBNOCXFNNNJ-AWEZNQCLSA-N 1 0 237.387 3.581 20 0 BHADRO CCC1(CC)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000775083283 585671932 /nfs/dbraw/zinc/67/19/32/585671932.db2.gz XJNKBNOCXFNNNJ-CQSZACIVSA-N 1 0 237.387 3.581 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000775098201 585672148 /nfs/dbraw/zinc/67/21/48/585672148.db2.gz RSDZFAQFBYZWKC-HNNXBMFYSA-N 1 0 245.366 3.592 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000775098202 585672433 /nfs/dbraw/zinc/67/24/33/585672433.db2.gz RSDZFAQFBYZWKC-OAHLLOKOSA-N 1 0 245.366 3.592 20 0 BHADRO C[C@@H](CC[NH2+]C[C@@H]1CCC=CO1)CC(C)(C)C ZINC000775109450 585672282 /nfs/dbraw/zinc/67/22/82/585672282.db2.gz WZXNARSWFFHDMD-KBPBESRZSA-N 1 0 239.403 3.731 20 0 BHADRO C[C@H](CC[NH2+]C[C@@H]1CCC=CO1)CC(C)(C)C ZINC000775109452 585672268 /nfs/dbraw/zinc/67/22/68/585672268.db2.gz WZXNARSWFFHDMD-KGLIPLIRSA-N 1 0 239.403 3.731 20 0 BHADRO C[C@@H](CC[NH2+]C[C@H]1CCC=CO1)CC(C)(C)C ZINC000775109454 585672204 /nfs/dbraw/zinc/67/22/04/585672204.db2.gz WZXNARSWFFHDMD-UONOGXRCSA-N 1 0 239.403 3.731 20 0 BHADRO C[C@H](CC[NH2+]C[C@H]1CCC=CO1)CC(C)(C)C ZINC000775109455 585672164 /nfs/dbraw/zinc/67/21/64/585672164.db2.gz WZXNARSWFFHDMD-ZIAGYGMSSA-N 1 0 239.403 3.731 20 0 BHADRO CCC[NH+](CCC)CCSC(C)(C)C ZINC000775161105 644701270 /nfs/dbraw/zinc/70/12/70/644701270.db2.gz PIMNVTNYYMPQSH-UHFFFAOYSA-N 1 0 217.422 3.640 20 0 BHADRO CC(C)[N@@H+](Cc1coc(C2CC2)n1)CC1CCC1 ZINC000775175890 644700920 /nfs/dbraw/zinc/70/09/20/644700920.db2.gz HNPSJHAIXOIOHX-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO Cc1cc(C[N@@H+](CC2CCC2)C(C)C)c(C)o1 ZINC000775179411 585672729 /nfs/dbraw/zinc/67/27/29/585672729.db2.gz ZRAVQHKHSJIMPD-UHFFFAOYSA-N 1 0 235.371 3.907 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1CCC=CO1 ZINC000775206412 585673447 /nfs/dbraw/zinc/67/34/47/585673447.db2.gz OERUFLLYOYJZKF-DZGCQCFKSA-N 1 0 237.387 3.580 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000775206414 585673459 /nfs/dbraw/zinc/67/34/59/585673459.db2.gz OERUFLLYOYJZKF-ZFWWWQNUSA-N 1 0 237.387 3.580 20 0 BHADRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccoc1 ZINC000775206888 585673380 /nfs/dbraw/zinc/67/33/80/585673380.db2.gz RIRQEVVVUAFNTB-LBPRGKRZSA-N 1 0 221.344 3.680 20 0 BHADRO CCCc1cccc(C[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000775314211 585675243 /nfs/dbraw/zinc/67/52/43/585675243.db2.gz PIQZCBFVTLSSQB-CYBMUJFWSA-N 1 0 242.366 3.818 20 0 BHADRO CCCc1cccc(C[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000775314213 585675191 /nfs/dbraw/zinc/67/51/91/585675191.db2.gz PIQZCBFVTLSSQB-ZDUSSCGKSA-N 1 0 242.366 3.818 20 0 BHADRO CC(C)(C[NH2+]Cc1ccoc1)C1=CCCCC1 ZINC000775318052 585675390 /nfs/dbraw/zinc/67/53/90/585675390.db2.gz DNXVJUMVNIHMHZ-UHFFFAOYSA-N 1 0 233.355 3.896 20 0 BHADRO CC[C@](C)([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000775385874 585676965 /nfs/dbraw/zinc/67/69/65/585676965.db2.gz ASPDPYCTNWVGGF-INIZCTEOSA-N 1 0 249.398 3.717 20 0 BHADRO CC[C@@](C)([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000775385875 585677181 /nfs/dbraw/zinc/67/71/81/585677181.db2.gz ASPDPYCTNWVGGF-MRXNPFEDSA-N 1 0 249.398 3.717 20 0 BHADRO CC[C@](C)([NH2+]CCCCCOC)c1ccccc1 ZINC000775387497 585676944 /nfs/dbraw/zinc/67/69/44/585676944.db2.gz NKUWLMKIFKUERZ-INIZCTEOSA-N 1 0 249.398 3.718 20 0 BHADRO CC[C@@](C)([NH2+]CCCCCOC)c1ccccc1 ZINC000775387499 585677083 /nfs/dbraw/zinc/67/70/83/585677083.db2.gz NKUWLMKIFKUERZ-MRXNPFEDSA-N 1 0 249.398 3.718 20 0 BHADRO CCCCOCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000775388135 585677315 /nfs/dbraw/zinc/67/73/15/585677315.db2.gz PSVDXBRAXHNKEX-INIZCTEOSA-N 1 0 249.398 3.718 20 0 BHADRO CCCCOCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000775388136 585677256 /nfs/dbraw/zinc/67/72/56/585677256.db2.gz PSVDXBRAXHNKEX-MRXNPFEDSA-N 1 0 249.398 3.718 20 0 BHADRO CC[C@@](C)([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000775388878 585677366 /nfs/dbraw/zinc/67/73/66/585677366.db2.gz SSSVRPOAVGCMRQ-GFCCVEGCSA-N 1 0 245.288 3.854 20 0 BHADRO CC[C@](C)([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000775388879 585677440 /nfs/dbraw/zinc/67/74/40/585677440.db2.gz SSSVRPOAVGCMRQ-LBPRGKRZSA-N 1 0 245.288 3.854 20 0 BHADRO CC[C@](C)([NH2+]CCCOC(C)C)c1ccccc1 ZINC000775395157 585677294 /nfs/dbraw/zinc/67/72/94/585677294.db2.gz NSCKCWNEPIZTOR-INIZCTEOSA-N 1 0 249.398 3.717 20 0 BHADRO CC[C@@](C)([NH2+]CCCOC(C)C)c1ccccc1 ZINC000775395158 585677185 /nfs/dbraw/zinc/67/71/85/585677185.db2.gz NSCKCWNEPIZTOR-MRXNPFEDSA-N 1 0 249.398 3.717 20 0 BHADRO CCCCCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000775413276 585677559 /nfs/dbraw/zinc/67/75/59/585677559.db2.gz ZWCNRSHGPWKANI-UHFFFAOYSA-N 1 0 247.382 3.854 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000775417134 585677583 /nfs/dbraw/zinc/67/75/83/585677583.db2.gz LDAIERHTNGNGJR-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000775417135 585677885 /nfs/dbraw/zinc/67/78/85/585677885.db2.gz LDAIERHTNGNGJR-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000775417136 585677921 /nfs/dbraw/zinc/67/79/21/585677921.db2.gz LDAIERHTNGNGJR-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000775417137 585677780 /nfs/dbraw/zinc/67/77/80/585677780.db2.gz LDAIERHTNGNGJR-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc(N2Cc3ccccc3[C@H](C)C2)cc[nH+]1 ZINC000775419514 585677874 /nfs/dbraw/zinc/67/78/74/585677874.db2.gz HQWMCWAGPJXRSA-GFCCVEGCSA-N 1 0 238.334 3.514 20 0 BHADRO Cc1cc(N2Cc3ccccc3[C@@H](C)C2)cc[nH+]1 ZINC000775419515 585677759 /nfs/dbraw/zinc/67/77/59/585677759.db2.gz HQWMCWAGPJXRSA-LBPRGKRZSA-N 1 0 238.334 3.514 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000775420192 585677903 /nfs/dbraw/zinc/67/79/03/585677903.db2.gz HYVTXFARRWNVEC-DZGCQCFKSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](CSC)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000775420193 585677882 /nfs/dbraw/zinc/67/78/82/585677882.db2.gz HYVTXFARRWNVEC-HIFRSBDPSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@H](CSC)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000775420194 585677806 /nfs/dbraw/zinc/67/78/06/585677806.db2.gz HYVTXFARRWNVEC-UKRRQHHQSA-N 1 0 249.423 3.714 20 0 BHADRO CC[C@@H](CSC)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000775420195 585677750 /nfs/dbraw/zinc/67/77/50/585677750.db2.gz HYVTXFARRWNVEC-ZFWWWQNUSA-N 1 0 249.423 3.714 20 0 BHADRO CO[C@@H]1CCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000775420580 585677805 /nfs/dbraw/zinc/67/78/05/585677805.db2.gz YDDMXHJIUJXUFT-DZGCQCFKSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000775420584 585677891 /nfs/dbraw/zinc/67/78/91/585677891.db2.gz YDDMXHJIUJXUFT-HIFRSBDPSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000775420587 585677796 /nfs/dbraw/zinc/67/77/96/585677796.db2.gz YDDMXHJIUJXUFT-UKRRQHHQSA-N 1 0 239.403 3.504 20 0 BHADRO CO[C@H]1CCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000775420589 585677851 /nfs/dbraw/zinc/67/78/51/585677851.db2.gz YDDMXHJIUJXUFT-ZFWWWQNUSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CCCC1)c1ccccn1 ZINC000775447265 585678006 /nfs/dbraw/zinc/67/80/06/585678006.db2.gz YYBZUKFMWXHAGV-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CCCC1)c1ccccn1 ZINC000775447267 585678093 /nfs/dbraw/zinc/67/80/93/585678093.db2.gz YYBZUKFMWXHAGV-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CCCC1)c1ccccn1 ZINC000775447564 585678113 /nfs/dbraw/zinc/67/81/13/585678113.db2.gz ADCBYISCDSAEDV-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CCCC1)c1ccccn1 ZINC000775447565 585678234 /nfs/dbraw/zinc/67/82/34/585678234.db2.gz ADCBYISCDSAEDV-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO Fc1ccccc1C1([NH2+]CC2CCCC2)CC1 ZINC000775448690 585678257 /nfs/dbraw/zinc/67/82/57/585678257.db2.gz SIPWGZDVRPTSAP-UHFFFAOYSA-N 1 0 233.330 3.595 20 0 BHADRO CCCCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000775451187 585678235 /nfs/dbraw/zinc/67/82/35/585678235.db2.gz YIJLSUWXJIVZOE-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CCCCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000775451189 585678018 /nfs/dbraw/zinc/67/80/18/585678018.db2.gz YIJLSUWXJIVZOE-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO CC(C)[C@H]([NH2+]CCC(C)(C)C)c1ccccn1 ZINC000775451213 585678115 /nfs/dbraw/zinc/67/81/15/585678115.db2.gz ZAGCKZWBRWXKHI-AWEZNQCLSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC(C)(C)C)c1ccccn1 ZINC000775451215 585678064 /nfs/dbraw/zinc/67/80/64/585678064.db2.gz ZAGCKZWBRWXKHI-CQSZACIVSA-N 1 0 234.387 3.805 20 0 BHADRO CCCCCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000775523311 585679028 /nfs/dbraw/zinc/67/90/28/585679028.db2.gz GDXVWRIYWOECRE-UHFFFAOYSA-N 1 0 247.382 3.854 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc[nH]1 ZINC000775527427 585678941 /nfs/dbraw/zinc/67/89/41/585678941.db2.gz XXMVEYWZHYSKJO-NXEZZACHSA-N 1 0 248.292 3.786 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000775527428 585679071 /nfs/dbraw/zinc/67/90/71/585679071.db2.gz XXMVEYWZHYSKJO-UWVGGRQHSA-N 1 0 248.292 3.786 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc[nH]1 ZINC000775527429 585678730 /nfs/dbraw/zinc/67/87/30/585678730.db2.gz XXMVEYWZHYSKJO-VHSXEESVSA-N 1 0 248.292 3.786 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000775527430 585678691 /nfs/dbraw/zinc/67/86/91/585678691.db2.gz XXMVEYWZHYSKJO-ZJUUUORDSA-N 1 0 248.292 3.786 20 0 BHADRO C[C@@H]([NH2+]Cc1ccoc1)c1cc2ccccc2[nH]1 ZINC000775621907 585681566 /nfs/dbraw/zinc/68/15/66/585681566.db2.gz OBIKJLFSIYJUEI-LLVKDONJSA-N 1 0 240.306 3.612 20 0 BHADRO C[C@H]([NH2+]Cc1ccoc1)c1cc2ccccc2[nH]1 ZINC000775621908 585681607 /nfs/dbraw/zinc/68/16/07/585681607.db2.gz OBIKJLFSIYJUEI-NSHDSACASA-N 1 0 240.306 3.612 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775624240 585681685 /nfs/dbraw/zinc/68/16/85/585681685.db2.gz YZIIJEXWVQYZPT-GFCCVEGCSA-N 1 0 230.355 3.865 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775624241 585681581 /nfs/dbraw/zinc/68/15/81/585681581.db2.gz YZIIJEXWVQYZPT-LBPRGKRZSA-N 1 0 230.355 3.865 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2[nH]1)C1CC1 ZINC000775624819 585681784 /nfs/dbraw/zinc/68/17/84/585681784.db2.gz ALBTUPHQUUNBIQ-NEPJUHHUSA-N 1 0 242.366 3.865 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cc2ccccc2[nH]1)C1CC1 ZINC000775624820 585681825 /nfs/dbraw/zinc/68/18/25/585681825.db2.gz ALBTUPHQUUNBIQ-NWDGAFQWSA-N 1 0 242.366 3.865 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2[nH]1)C1CC1 ZINC000775624821 585681621 /nfs/dbraw/zinc/68/16/21/585681621.db2.gz ALBTUPHQUUNBIQ-RYUDHWBXSA-N 1 0 242.366 3.865 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000775624822 585681593 /nfs/dbraw/zinc/68/15/93/585681593.db2.gz ALBTUPHQUUNBIQ-VXGBXAGGSA-N 1 0 242.366 3.865 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775627939 585681708 /nfs/dbraw/zinc/68/17/08/585681708.db2.gz KTIBQUUNKGGHQD-GHMZBOCLSA-N 1 0 248.395 3.570 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775627955 585681823 /nfs/dbraw/zinc/68/18/23/585681823.db2.gz KTIBQUUNKGGHQD-MNOVXSKESA-N 1 0 248.395 3.570 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775627957 585681794 /nfs/dbraw/zinc/68/17/94/585681794.db2.gz KTIBQUUNKGGHQD-QWRGUYRKSA-N 1 0 248.395 3.570 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775627960 585681746 /nfs/dbraw/zinc/68/17/46/585681746.db2.gz KTIBQUUNKGGHQD-WDEREUQCSA-N 1 0 248.395 3.570 20 0 BHADRO C[C@@H]([NH2+]CC1CCC1)c1cc2ccccc2[nH]1 ZINC000775628991 585681777 /nfs/dbraw/zinc/68/17/77/585681777.db2.gz TYCQRKRYCLSCTG-LLVKDONJSA-N 1 0 228.339 3.619 20 0 BHADRO C[C@H]([NH2+]CC1CCC1)c1cc2ccccc2[nH]1 ZINC000775628993 585681647 /nfs/dbraw/zinc/68/16/47/585681647.db2.gz TYCQRKRYCLSCTG-NSHDSACASA-N 1 0 228.339 3.619 20 0 BHADRO CSCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775630019 585681975 /nfs/dbraw/zinc/68/19/75/585681975.db2.gz CJEJZIMUBWVOJT-LLVKDONJSA-N 1 0 248.395 3.572 20 0 BHADRO CSCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775630036 585681869 /nfs/dbraw/zinc/68/18/69/585681869.db2.gz CJEJZIMUBWVOJT-NSHDSACASA-N 1 0 248.395 3.572 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000775630182 585681890 /nfs/dbraw/zinc/68/18/90/585681890.db2.gz IQHNIFVUUUQLOI-GHMZBOCLSA-N 1 0 228.339 3.617 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2[nH]1)C1CC1 ZINC000775630183 585682064 /nfs/dbraw/zinc/68/20/64/585682064.db2.gz IQHNIFVUUUQLOI-MNOVXSKESA-N 1 0 228.339 3.617 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000775630184 585682120 /nfs/dbraw/zinc/68/21/20/585682120.db2.gz IQHNIFVUUUQLOI-QWRGUYRKSA-N 1 0 228.339 3.617 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000775630185 585682046 /nfs/dbraw/zinc/68/20/46/585682046.db2.gz IQHNIFVUUUQLOI-WDEREUQCSA-N 1 0 228.339 3.617 20 0 BHADRO C[C@@H]([NH2+]CCC1CC1)c1cc2ccccc2[nH]1 ZINC000775634978 585682072 /nfs/dbraw/zinc/68/20/72/585682072.db2.gz XCHFVMOWSKOMIZ-LLVKDONJSA-N 1 0 228.339 3.619 20 0 BHADRO C[C@H]([NH2+]CCC1CC1)c1cc2ccccc2[nH]1 ZINC000775634979 585681909 /nfs/dbraw/zinc/68/19/09/585681909.db2.gz XCHFVMOWSKOMIZ-NSHDSACASA-N 1 0 228.339 3.619 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc2ccccc2[nH]1 ZINC000775635000 585682087 /nfs/dbraw/zinc/68/20/87/585682087.db2.gz XNWTYEQIFOHGTL-GXTWGEPZSA-N 1 0 240.350 3.927 20 0 BHADRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cc2ccccc2[nH]1 ZINC000775635001 585681987 /nfs/dbraw/zinc/68/19/87/585681987.db2.gz XNWTYEQIFOHGTL-JSGCOSHPSA-N 1 0 240.350 3.927 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc2ccccc2[nH]1 ZINC000775635002 585682000 /nfs/dbraw/zinc/68/20/00/585682000.db2.gz XNWTYEQIFOHGTL-OCCSQVGLSA-N 1 0 240.350 3.927 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc2ccccc2[nH]1 ZINC000775635003 585681999 /nfs/dbraw/zinc/68/19/99/585681999.db2.gz XNWTYEQIFOHGTL-TZMCWYRMSA-N 1 0 240.350 3.927 20 0 BHADRO C[C@H]([NH2+]C1CC(C)C1)c1cc2ccccc2[nH]1 ZINC000775635155 585682086 /nfs/dbraw/zinc/68/20/86/585682086.db2.gz YMEMZBDKKCVYLX-AKJDGMEZSA-N 1 0 228.339 3.617 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)C1)c1cc2ccccc2[nH]1 ZINC000775635156 585682114 /nfs/dbraw/zinc/68/21/14/585682114.db2.gz YMEMZBDKKCVYLX-QWKFWESOSA-N 1 0 228.339 3.617 20 0 BHADRO CC[N@H+](CC(C)(C)c1ccccc1)C(C)C ZINC000775647971 585681618 /nfs/dbraw/zinc/68/16/18/585681618.db2.gz KJMKRDMFMCTPHS-UHFFFAOYSA-N 1 0 219.372 3.695 20 0 BHADRO C[C@@H]1CCCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000775731145 585683897 /nfs/dbraw/zinc/68/38/97/585683897.db2.gz FTNJVCSFQCYGKC-CYBMUJFWSA-N 1 0 235.346 3.778 20 0 BHADRO C[C@H]1CCCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000775731146 585683697 /nfs/dbraw/zinc/68/36/97/585683697.db2.gz FTNJVCSFQCYGKC-ZDUSSCGKSA-N 1 0 235.346 3.778 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000775780826 585684564 /nfs/dbraw/zinc/68/45/64/585684564.db2.gz RGCSFEJIYORGSP-DZGCQCFKSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000775780830 585684639 /nfs/dbraw/zinc/68/46/39/585684639.db2.gz RGCSFEJIYORGSP-HIFRSBDPSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000775780832 585684429 /nfs/dbraw/zinc/68/44/29/585684429.db2.gz RGCSFEJIYORGSP-UKRRQHHQSA-N 1 0 249.423 3.698 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000775780834 585684407 /nfs/dbraw/zinc/68/44/07/585684407.db2.gz RGCSFEJIYORGSP-ZFWWWQNUSA-N 1 0 249.423 3.698 20 0 BHADRO CCCCC[NH2+]Cc1nccc2ccccc21 ZINC000775783953 585684775 /nfs/dbraw/zinc/68/47/75/585684775.db2.gz AIGAFUQSELTACE-UHFFFAOYSA-N 1 0 228.339 3.515 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000775784396 585685007 /nfs/dbraw/zinc/68/50/07/585685007.db2.gz CZZYDJYJLNSVFF-DOMZBBRYSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000775784397 585684960 /nfs/dbraw/zinc/68/49/60/585684960.db2.gz CZZYDJYJLNSVFF-IUODEOHRSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000775784398 585684913 /nfs/dbraw/zinc/68/49/13/585684913.db2.gz CZZYDJYJLNSVFF-SWLSCSKDSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000775784399 585684795 /nfs/dbraw/zinc/68/47/95/585684795.db2.gz CZZYDJYJLNSVFF-WFASDCNBSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)Cc1ccccc1 ZINC000775951573 585688386 /nfs/dbraw/zinc/68/83/86/585688386.db2.gz LPLOOQZQFPDFLW-KBPBESRZSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)Cc1ccccc1 ZINC000775951574 585688417 /nfs/dbraw/zinc/68/84/17/585688417.db2.gz LPLOOQZQFPDFLW-KGLIPLIRSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C1(C)CC1 ZINC000775951575 585688251 /nfs/dbraw/zinc/68/82/51/585688251.db2.gz LPLOOQZQFPDFLW-UONOGXRCSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1(C)CC1)Cc1ccccc1 ZINC000775951576 585688107 /nfs/dbraw/zinc/68/81/07/585688107.db2.gz LPLOOQZQFPDFLW-ZIAGYGMSSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc[nH]1)Cc1ccccc1 ZINC000775965599 585688651 /nfs/dbraw/zinc/68/86/51/585688651.db2.gz HCKLKSNFLMVNKW-KBPBESRZSA-N 1 0 242.366 3.544 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc[nH]1)Cc1ccccc1 ZINC000775965600 585688645 /nfs/dbraw/zinc/68/86/45/585688645.db2.gz HCKLKSNFLMVNKW-KGLIPLIRSA-N 1 0 242.366 3.544 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)c1ccc[nH]1 ZINC000775965601 585688444 /nfs/dbraw/zinc/68/84/44/585688444.db2.gz HCKLKSNFLMVNKW-UONOGXRCSA-N 1 0 242.366 3.544 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc[nH]1)Cc1ccccc1 ZINC000775965602 585688587 /nfs/dbraw/zinc/68/85/87/585688587.db2.gz HCKLKSNFLMVNKW-ZIAGYGMSSA-N 1 0 242.366 3.544 20 0 BHADRO C[C@@H](C[NH2+]C12CCC(CC1)C2)Cc1ccccc1 ZINC000775976328 585688446 /nfs/dbraw/zinc/68/84/46/585688446.db2.gz TYJPUPOTLKSSSO-ODIFPOPNSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H](C[NH2+]C12CCC(CC1)C2)Cc1ccccc1 ZINC000775976329 585688623 /nfs/dbraw/zinc/68/86/23/585688623.db2.gz TYJPUPOTLKSSSO-OOHWJJMZSA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)oc1C ZINC000775999902 585689268 /nfs/dbraw/zinc/68/92/68/585689268.db2.gz ISPNSVDCQWYYDH-HZMBPMFUSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)oc1C ZINC000775999907 585689391 /nfs/dbraw/zinc/68/93/91/585689391.db2.gz ISPNSVDCQWYYDH-IINYFYTJSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)oc1C ZINC000775999910 585689064 /nfs/dbraw/zinc/68/90/64/585689064.db2.gz ISPNSVDCQWYYDH-QMTHXVAHSA-N 1 0 221.344 3.517 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)oc1C ZINC000775999914 585689094 /nfs/dbraw/zinc/68/90/94/585689094.db2.gz ISPNSVDCQWYYDH-YGRLFVJLSA-N 1 0 221.344 3.517 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@@H](C)C2)c(C)o1 ZINC000776000515 585689292 /nfs/dbraw/zinc/68/92/92/585689292.db2.gz XZDYXGKRKMAMTQ-LLVKDONJSA-N 1 0 221.344 3.518 20 0 BHADRO Cc1cc(C[N@H+]2CCCC[C@H](C)C2)c(C)o1 ZINC000776000525 585689055 /nfs/dbraw/zinc/68/90/55/585689055.db2.gz XZDYXGKRKMAMTQ-NSHDSACASA-N 1 0 221.344 3.518 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000776022204 585689619 /nfs/dbraw/zinc/68/96/19/585689619.db2.gz AREIEECCXNJEPR-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000776022206 585689599 /nfs/dbraw/zinc/68/95/99/585689599.db2.gz AREIEECCXNJEPR-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000776022208 585689589 /nfs/dbraw/zinc/68/95/89/585689589.db2.gz AREIEECCXNJEPR-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000776022209 585689416 /nfs/dbraw/zinc/68/94/16/585689416.db2.gz AREIEECCXNJEPR-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000776022213 585689438 /nfs/dbraw/zinc/68/94/38/585689438.db2.gz AYAMJUQEULANFE-CYBMUJFWSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000776022227 585688824 /nfs/dbraw/zinc/68/88/24/585688824.db2.gz AYAMJUQEULANFE-ZDUSSCGKSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+]CC1(C)COC1)C(C)(C)C ZINC000776022503 585689414 /nfs/dbraw/zinc/68/94/14/585689414.db2.gz FETMNQZJXWAEFT-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@H]([NH2+]CC1(C)COC1)C(C)(C)C ZINC000776022513 585689512 /nfs/dbraw/zinc/68/95/12/585689512.db2.gz FETMNQZJXWAEFT-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCC[C@@H]([NH2+]Cc1ccno1)C(C)(C)C ZINC000776023793 585689472 /nfs/dbraw/zinc/68/94/72/585689472.db2.gz PPRJPASSMYTVFZ-CYBMUJFWSA-N 1 0 238.375 3.759 20 0 BHADRO CCCCC[C@H]([NH2+]Cc1ccno1)C(C)(C)C ZINC000776023794 585689515 /nfs/dbraw/zinc/68/95/15/585689515.db2.gz PPRJPASSMYTVFZ-ZDUSSCGKSA-N 1 0 238.375 3.759 20 0 BHADRO CC(C)c1cnc(C[NH2+]C(C(C)C)C(C)C)o1 ZINC000776025735 585689421 /nfs/dbraw/zinc/68/94/21/585689421.db2.gz BTUUDZSHYHQBFL-UHFFFAOYSA-N 1 0 238.375 3.568 20 0 BHADRO COc1ccc([C@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000776072333 585689768 /nfs/dbraw/zinc/68/97/68/585689768.db2.gz YJQFZWUOGBSASG-CHWSQXEVSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000776072334 585689692 /nfs/dbraw/zinc/68/96/92/585689692.db2.gz YJQFZWUOGBSASG-OLZOCXBDSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000776072335 585689737 /nfs/dbraw/zinc/68/97/37/585689737.db2.gz YJQFZWUOGBSASG-QWHCGFSZSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@@H](C)C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000776072336 585689740 /nfs/dbraw/zinc/68/97/40/585689740.db2.gz YJQFZWUOGBSASG-STQMWFEESA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000776153611 585691284 /nfs/dbraw/zinc/69/12/84/585691284.db2.gz AIASHESQXKGKEM-IPYPFGDCSA-N 1 0 245.366 3.679 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000776153612 585691240 /nfs/dbraw/zinc/69/12/40/585691240.db2.gz AIASHESQXKGKEM-NFAWXSAZSA-N 1 0 245.366 3.679 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1nccc2ccccc21 ZINC000776164506 585691368 /nfs/dbraw/zinc/69/13/68/585691368.db2.gz IVWBSOKCAFZEIN-AWEZNQCLSA-N 1 0 242.366 3.903 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1nccc2ccccc21 ZINC000776164507 585691403 /nfs/dbraw/zinc/69/14/03/585691403.db2.gz IVWBSOKCAFZEIN-CQSZACIVSA-N 1 0 242.366 3.903 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000776167133 585691414 /nfs/dbraw/zinc/69/14/14/585691414.db2.gz BFNWFMJVCWXOJC-DSPQJCBJSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000776167135 585691369 /nfs/dbraw/zinc/69/13/69/585691369.db2.gz BFNWFMJVCWXOJC-HLSYRSCKSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000776167139 585691478 /nfs/dbraw/zinc/69/14/78/585691478.db2.gz BFNWFMJVCWXOJC-TWJWRFFLSA-N 1 0 229.367 3.698 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000776167142 583111489 /nfs/dbraw/zinc/11/14/89/583111489.db2.gz BFNWFMJVCWXOJC-UNIGVISCSA-N 1 0 229.367 3.698 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C)C1 ZINC000776170843 585691490 /nfs/dbraw/zinc/69/14/90/585691490.db2.gz KPAOCCKTUJNNOB-BJJXKVORSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C)C1 ZINC000776170846 585691448 /nfs/dbraw/zinc/69/14/48/585691448.db2.gz KPAOCCKTUJNNOB-INWMFGNUSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](C)C1 ZINC000776170847 585691467 /nfs/dbraw/zinc/69/14/67/585691467.db2.gz KPAOCCKTUJNNOB-NOLJZWGESA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000776170848 585691494 /nfs/dbraw/zinc/69/14/94/585691494.db2.gz KPAOCCKTUJNNOB-XPKDYRNWSA-N 1 0 229.367 3.761 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1C ZINC000776172489 585691455 /nfs/dbraw/zinc/69/14/55/585691455.db2.gz YPNZCMWEQSMIHL-AWEZNQCLSA-N 1 0 235.371 3.672 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1C ZINC000776172490 585691319 /nfs/dbraw/zinc/69/13/19/585691319.db2.gz YPNZCMWEQSMIHL-CQSZACIVSA-N 1 0 235.371 3.672 20 0 BHADRO CC(C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000776174374 585691832 /nfs/dbraw/zinc/69/18/32/585691832.db2.gz KOGWQKKDTQMGLR-UHFFFAOYSA-N 1 0 242.366 3.761 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000776177450 585691757 /nfs/dbraw/zinc/69/17/57/585691757.db2.gz OBZUIKPCDNNEAB-COXVUDFISA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000776177451 585691846 /nfs/dbraw/zinc/69/18/46/585691846.db2.gz OBZUIKPCDNNEAB-KBRIMQKVSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000776177452 585691602 /nfs/dbraw/zinc/69/16/02/585691602.db2.gz OBZUIKPCDNNEAB-XOKHGSTOSA-N 1 0 243.394 3.786 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000776177453 585691629 /nfs/dbraw/zinc/69/16/29/585691629.db2.gz OBZUIKPCDNNEAB-XYPHTWIQSA-N 1 0 243.394 3.786 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000776178018 585691844 /nfs/dbraw/zinc/69/18/44/585691844.db2.gz YDXZFERRHZNCRS-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000776178019 585691534 /nfs/dbraw/zinc/69/15/34/585691534.db2.gz YDXZFERRHZNCRS-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CCCC[NH2+]Cc1ccc2c(c1)COC2 ZINC000776215737 585693524 /nfs/dbraw/zinc/69/35/24/585693524.db2.gz GLSAAMUFIJGMDJ-UHFFFAOYSA-N 1 0 247.382 3.633 20 0 BHADRO CCC1(C)CCC([NH2+]CCOC2CCC2)CC1 ZINC000776223136 585693492 /nfs/dbraw/zinc/69/34/92/585693492.db2.gz QZPWZUFRYMLJQL-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000776230544 585693637 /nfs/dbraw/zinc/69/36/37/585693637.db2.gz KSZAFXJBWNDMRB-CTASWTNQSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000776230549 585693795 /nfs/dbraw/zinc/69/37/95/585693795.db2.gz KSZAFXJBWNDMRB-HOSILWTGSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000776230550 585693612 /nfs/dbraw/zinc/69/36/12/585693612.db2.gz KSZAFXJBWNDMRB-KQTLUZQSSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000776230551 585693724 /nfs/dbraw/zinc/69/37/24/585693724.db2.gz KSZAFXJBWNDMRB-NYTXWWLZSA-N 1 0 231.383 3.957 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]CCC2CCC2)cc1 ZINC000776251532 585693957 /nfs/dbraw/zinc/69/39/57/585693957.db2.gz KQOMYHSBFYHGCU-DJWKRKHSSA-N 1 0 233.330 3.619 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]CCC2CCC2)cc1 ZINC000776251533 585693887 /nfs/dbraw/zinc/69/38/87/585693887.db2.gz KQOMYHSBFYHGCU-GORDUTHDSA-N 1 0 233.330 3.619 20 0 BHADRO CCC(CC)C[NH2+]Cc1ccc(OC)cc1C ZINC000776252529 583114870 /nfs/dbraw/zinc/11/48/70/583114870.db2.gz DPNVYQARAWJMKN-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000776252549 585693997 /nfs/dbraw/zinc/69/39/97/585693997.db2.gz FVVVDICTCIAFTA-DOMZBBRYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000776252550 585693868 /nfs/dbraw/zinc/69/38/68/585693868.db2.gz FVVVDICTCIAFTA-IUODEOHRSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c(C)c1 ZINC000776252551 585693877 /nfs/dbraw/zinc/69/38/77/585693877.db2.gz FVVVDICTCIAFTA-SWLSCSKDSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)c(C)c1 ZINC000776252552 585693924 /nfs/dbraw/zinc/69/39/24/585693924.db2.gz FVVVDICTCIAFTA-WFASDCNBSA-N 1 0 247.382 3.672 20 0 BHADRO CCC(C)(C)C[NH2+]Cc1ccc(OC)cc1C ZINC000776253933 585693999 /nfs/dbraw/zinc/69/39/99/585693999.db2.gz XIHWRQZTYDPVLN-UHFFFAOYSA-N 1 0 235.371 3.529 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000776255643 711708421 /nfs/dbraw/zinc/70/84/21/711708421.db2.gz FYFVLVZAENDVMD-CPUCHLNUSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000776255646 711708418 /nfs/dbraw/zinc/70/84/18/711708418.db2.gz FYFVLVZAENDVMD-JKIFEVAISA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000776255651 711708423 /nfs/dbraw/zinc/70/84/23/711708423.db2.gz FYFVLVZAENDVMD-KEYYUXOJSA-N 1 0 243.394 3.570 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(CO)c1 ZINC000776309364 585695572 /nfs/dbraw/zinc/69/55/72/585695572.db2.gz DJYPFKMYSMAUCQ-CHWSQXEVSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C(C)(C)C ZINC000776309365 585695428 /nfs/dbraw/zinc/69/54/28/585695428.db2.gz DJYPFKMYSMAUCQ-OLZOCXBDSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cccc(CO)c1)C(C)(C)C ZINC000776309366 585695649 /nfs/dbraw/zinc/69/56/49/585695649.db2.gz DJYPFKMYSMAUCQ-QWHCGFSZSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C(C)(C)C ZINC000776309367 585695500 /nfs/dbraw/zinc/69/55/00/585695500.db2.gz DJYPFKMYSMAUCQ-STQMWFEESA-N 1 0 249.398 3.512 20 0 BHADRO C[C@H](C[NH2+]CCC1CCC1)c1ccc(F)cc1 ZINC000776373923 585696705 /nfs/dbraw/zinc/69/67/05/585696705.db2.gz FUAFCLFZURENIV-GFCCVEGCSA-N 1 0 235.346 3.709 20 0 BHADRO C[C@@H](C[NH2+]CCC1CCC1)c1ccc(F)cc1 ZINC000776373924 585696796 /nfs/dbraw/zinc/69/67/96/585696796.db2.gz FUAFCLFZURENIV-LBPRGKRZSA-N 1 0 235.346 3.709 20 0 BHADRO CCC1(CC)CC[NH+](C/C=C/Cl)CC1 ZINC000776847006 585706230 /nfs/dbraw/zinc/70/62/30/585706230.db2.gz RMECZQOGTQSXHY-VMPITWQZSA-N 1 0 215.768 3.641 20 0 BHADRO CCC1(CC)CC[NH+](C/C=C\Cl)CC1 ZINC000776847024 585706335 /nfs/dbraw/zinc/70/63/35/585706335.db2.gz RMECZQOGTQSXHY-YVMONPNESA-N 1 0 215.768 3.641 20 0 BHADRO FCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776849874 585706355 /nfs/dbraw/zinc/70/63/55/585706355.db2.gz BLSLBILJQKBTDA-ARFHVFGLSA-N 1 0 247.357 3.614 20 0 BHADRO FCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776849875 585706121 /nfs/dbraw/zinc/70/61/21/585706121.db2.gz BLSLBILJQKBTDA-BZUAXINKSA-N 1 0 247.357 3.614 20 0 BHADRO FCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776849876 585706272 /nfs/dbraw/zinc/70/62/72/585706272.db2.gz BLSLBILJQKBTDA-OAGGEKHMSA-N 1 0 247.357 3.614 20 0 BHADRO FCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776849877 585706263 /nfs/dbraw/zinc/70/62/63/585706263.db2.gz BLSLBILJQKBTDA-XHSDSOJGSA-N 1 0 247.357 3.614 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)C1(C)CC1 ZINC000776881171 585706401 /nfs/dbraw/zinc/70/64/01/585706401.db2.gz IPOBLOCHRUWXTD-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776881178 585706635 /nfs/dbraw/zinc/70/66/35/585706635.db2.gz IPOBLOCHRUWXTD-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C1(C)CC1 ZINC000776881180 585706537 /nfs/dbraw/zinc/70/65/37/585706537.db2.gz IPOBLOCHRUWXTD-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776881183 585706435 /nfs/dbraw/zinc/70/64/35/585706435.db2.gz IPOBLOCHRUWXTD-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1N(C)C ZINC000776881576 585706117 /nfs/dbraw/zinc/70/61/17/585706117.db2.gz LLCXDPFDTBHGCX-CHWSQXEVSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1N(C)C ZINC000776881577 585706240 /nfs/dbraw/zinc/70/62/40/585706240.db2.gz LLCXDPFDTBHGCX-OLZOCXBDSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C1(C)CC1 ZINC000776881580 585706177 /nfs/dbraw/zinc/70/61/77/585706177.db2.gz LLCXDPFDTBHGCX-QWHCGFSZSA-N 1 0 246.398 3.592 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1N(C)C ZINC000776881583 585706279 /nfs/dbraw/zinc/70/62/79/585706279.db2.gz LLCXDPFDTBHGCX-STQMWFEESA-N 1 0 246.398 3.592 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000776881985 585706617 /nfs/dbraw/zinc/70/66/17/585706617.db2.gz CUMBCDIOEVBXHH-DOMZBBRYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000776881986 585706456 /nfs/dbraw/zinc/70/64/56/585706456.db2.gz CUMBCDIOEVBXHH-IUODEOHRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000776881987 585706472 /nfs/dbraw/zinc/70/64/72/585706472.db2.gz CUMBCDIOEVBXHH-SWLSCSKDSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000776881988 585706462 /nfs/dbraw/zinc/70/64/62/585706462.db2.gz CUMBCDIOEVBXHH-WFASDCNBSA-N 1 0 229.367 3.761 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000776881994 585706496 /nfs/dbraw/zinc/70/64/96/585706496.db2.gz CZBQLWZYWHOURP-CHWSQXEVSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000776881995 585706638 /nfs/dbraw/zinc/70/66/38/585706638.db2.gz CZBQLWZYWHOURP-OLZOCXBDSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000776881996 585706439 /nfs/dbraw/zinc/70/64/39/585706439.db2.gz CZBQLWZYWHOURP-QWHCGFSZSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000776881997 585706603 /nfs/dbraw/zinc/70/66/03/585706603.db2.gz CZBQLWZYWHOURP-STQMWFEESA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C)C1(C)CC1 ZINC000776882314 585706473 /nfs/dbraw/zinc/70/64/73/585706473.db2.gz FMNMQVBWBBZWBC-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776882316 585706602 /nfs/dbraw/zinc/70/66/02/585706602.db2.gz FMNMQVBWBBZWBC-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C1(C)CC1 ZINC000776882317 585706461 /nfs/dbraw/zinc/70/64/61/585706461.db2.gz FMNMQVBWBBZWBC-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C)C1(C)CC1 ZINC000776882319 585706564 /nfs/dbraw/zinc/70/65/64/585706564.db2.gz FMNMQVBWBBZWBC-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1(C)CC1 ZINC000776882408 585706605 /nfs/dbraw/zinc/70/66/05/585706605.db2.gz GNCPVFQSHQIQOT-HZMBPMFUSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1(C)CC1 ZINC000776882418 585706532 /nfs/dbraw/zinc/70/65/32/585706532.db2.gz GNCPVFQSHQIQOT-IINYFYTJSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1(C)CC1 ZINC000776882421 585706506 /nfs/dbraw/zinc/70/65/06/585706506.db2.gz GNCPVFQSHQIQOT-QMTHXVAHSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1(C)CC1 ZINC000776882425 585706407 /nfs/dbraw/zinc/70/64/07/585706407.db2.gz GNCPVFQSHQIQOT-YGRLFVJLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@H](C)C1(C)CC1 ZINC000776882754 585706555 /nfs/dbraw/zinc/70/65/55/585706555.db2.gz RZHVXDSCKHSPDX-CHWSQXEVSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)C1(C)CC1 ZINC000776882755 585706437 /nfs/dbraw/zinc/70/64/37/585706437.db2.gz RZHVXDSCKHSPDX-OLZOCXBDSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1F)C1(C)CC1 ZINC000776882756 585706639 /nfs/dbraw/zinc/70/66/39/585706639.db2.gz RZHVXDSCKHSPDX-QWHCGFSZSA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C)C1(C)CC1 ZINC000776882757 585706424 /nfs/dbraw/zinc/70/64/24/585706424.db2.gz RZHVXDSCKHSPDX-STQMWFEESA-N 1 0 249.373 3.925 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C1(C)CC1 ZINC000776883139 585706490 /nfs/dbraw/zinc/70/64/90/585706490.db2.gz URVRASGOFHPIGK-HZSPNIEDSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000776883149 585706410 /nfs/dbraw/zinc/70/64/10/585706410.db2.gz URVRASGOFHPIGK-IHRRRGAJSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C1(C)CC1 ZINC000776883151 585706436 /nfs/dbraw/zinc/70/64/36/585706436.db2.gz URVRASGOFHPIGK-MELADBBJSA-N 1 0 231.383 3.957 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)[C@@H](C)c1ccccc1 ZINC000776883152 585706622 /nfs/dbraw/zinc/70/66/22/585706622.db2.gz URVRASGOFHPIGK-RDBSUJKOSA-N 1 0 231.383 3.957 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000776883285 585706544 /nfs/dbraw/zinc/70/65/44/585706544.db2.gz LUJXTSWEWZLCSW-DOMZBBRYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C1(C)CC1 ZINC000776883286 585706608 /nfs/dbraw/zinc/70/66/08/585706608.db2.gz LUJXTSWEWZLCSW-IUODEOHRSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000776883287 585706469 /nfs/dbraw/zinc/70/64/69/585706469.db2.gz LUJXTSWEWZLCSW-SWLSCSKDSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C1(C)CC1 ZINC000776883288 585706268 /nfs/dbraw/zinc/70/62/68/585706268.db2.gz LUJXTSWEWZLCSW-WFASDCNBSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)n1 ZINC000776884002 585706434 /nfs/dbraw/zinc/70/64/34/585706434.db2.gz VLQQMOCSEFCEGF-CHWSQXEVSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)n1 ZINC000776884003 585706553 /nfs/dbraw/zinc/70/65/53/585706553.db2.gz VLQQMOCSEFCEGF-OLZOCXBDSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c(C)n1 ZINC000776884004 585706391 /nfs/dbraw/zinc/70/63/91/585706391.db2.gz VLQQMOCSEFCEGF-QWHCGFSZSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)n1 ZINC000776884005 585706609 /nfs/dbraw/zinc/70/66/09/585706609.db2.gz VLQQMOCSEFCEGF-STQMWFEESA-N 1 0 232.371 3.538 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc2c(c1)COC2 ZINC000776884048 585706455 /nfs/dbraw/zinc/70/64/55/585706455.db2.gz XFSPKYNNUKPAMM-NEPJUHHUSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C1(C)CC1 ZINC000776884049 585706433 /nfs/dbraw/zinc/70/64/33/585706433.db2.gz XFSPKYNNUKPAMM-NWDGAFQWSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc2c(c1)COC2 ZINC000776884050 585706562 /nfs/dbraw/zinc/70/65/62/585706562.db2.gz XFSPKYNNUKPAMM-RYUDHWBXSA-N 1 0 245.366 3.556 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc2c(c1)COC2 ZINC000776884051 585706528 /nfs/dbraw/zinc/70/65/28/585706528.db2.gz XFSPKYNNUKPAMM-VXGBXAGGSA-N 1 0 245.366 3.556 20 0 BHADRO CCC(C)(C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000776897000 585706816 /nfs/dbraw/zinc/70/68/16/585706816.db2.gz OEDJPLRMHCFWEX-CYBMUJFWSA-N 1 0 249.398 3.795 20 0 BHADRO CCC(C)(C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000776897003 585706792 /nfs/dbraw/zinc/70/67/92/585706792.db2.gz OEDJPLRMHCFWEX-ZDUSSCGKSA-N 1 0 249.398 3.795 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]CCOC1CCC1 ZINC000777120540 585708729 /nfs/dbraw/zinc/70/87/29/585708729.db2.gz VOFBFVZYIYLHJS-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]CCOC1CCC1 ZINC000777120541 585708757 /nfs/dbraw/zinc/70/87/57/585708757.db2.gz VOFBFVZYIYLHJS-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C1CC1C1([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000777146000 585708991 /nfs/dbraw/zinc/70/89/91/585708991.db2.gz MDXKRGKHJLSDJJ-GUTXKFCHSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1C1([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000777146007 585708912 /nfs/dbraw/zinc/70/89/12/585708912.db2.gz MDXKRGKHJLSDJJ-GZBFAFLISA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1C1([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000777146009 585709093 /nfs/dbraw/zinc/70/90/93/585709093.db2.gz MDXKRGKHJLSDJJ-NFAWXSAZSA-N 1 0 233.399 3.878 20 0 BHADRO C1CC1C1([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000777146011 585709098 /nfs/dbraw/zinc/70/90/98/585709098.db2.gz MDXKRGKHJLSDJJ-UMVBOHGHSA-N 1 0 233.399 3.878 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000777148124 585709038 /nfs/dbraw/zinc/70/90/38/585709038.db2.gz DFLCIOZJZDVEGR-GFCCVEGCSA-N 1 0 245.366 3.679 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000777148125 585709050 /nfs/dbraw/zinc/70/90/50/585709050.db2.gz DFLCIOZJZDVEGR-LBPRGKRZSA-N 1 0 245.366 3.679 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C2CC2)CC1 ZINC000777149497 585708934 /nfs/dbraw/zinc/70/89/34/585708934.db2.gz OFHGHUUXHPRABR-HNNXBMFYSA-N 1 0 227.351 3.515 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1(C2CC2)CC1 ZINC000777149498 585709119 /nfs/dbraw/zinc/70/91/19/585709119.db2.gz OFHGHUUXHPRABR-OAHLLOKOSA-N 1 0 227.351 3.515 20 0 BHADRO CCC1(CC)CC[NH+](Cc2ccoc2)CC1 ZINC000777220343 585709597 /nfs/dbraw/zinc/70/95/97/585709597.db2.gz PZCDBJQLQUTJOU-UHFFFAOYSA-N 1 0 221.344 3.682 20 0 BHADRO c1cc(C[NH+]2CCC(c3ccsc3)CC2)co1 ZINC000777221833 585709461 /nfs/dbraw/zinc/70/94/61/585709461.db2.gz MEWUAZAKALPRFM-UHFFFAOYSA-N 1 0 247.363 3.721 20 0 BHADRO c1ccc2c(c1)ccnc2C[NH2+]CC1CCCC1 ZINC000777455109 585712424 /nfs/dbraw/zinc/71/24/24/585712424.db2.gz KFRAZMNTIDZOLZ-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO C[C@H](C1CC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000777503305 585713740 /nfs/dbraw/zinc/71/37/40/585713740.db2.gz VNXGTXJZQJABIZ-GFCCVEGCSA-N 1 0 245.341 3.713 20 0 BHADRO C[C@@H](C1CC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000777503306 585713822 /nfs/dbraw/zinc/71/38/22/585713822.db2.gz VNXGTXJZQJABIZ-LBPRGKRZSA-N 1 0 245.341 3.713 20 0 BHADRO CCC1([NH2+]C2CCCCCCC2)CCOCC1 ZINC000777505660 585713908 /nfs/dbraw/zinc/71/39/08/585713908.db2.gz PJKOYPJSKDAJML-UHFFFAOYSA-N 1 0 239.403 3.648 20 0 BHADRO CCCC[N@H+](CC)Cc1ccc(CF)cc1 ZINC000777534795 585714222 /nfs/dbraw/zinc/71/42/22/585714222.db2.gz HLVUTUQOEXVEKZ-UHFFFAOYSA-N 1 0 223.335 3.778 20 0 BHADRO CCC[N@@H+](Cc1ccc(CF)cc1)CC1CC1 ZINC000777535367 585714434 /nfs/dbraw/zinc/71/44/34/585714434.db2.gz PLTFLCQWHCWAAR-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO FCc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000777536119 585714037 /nfs/dbraw/zinc/71/40/37/585714037.db2.gz YZZZKTPWFINMBX-UHFFFAOYSA-N 1 0 235.346 3.922 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777540617 585714612 /nfs/dbraw/zinc/71/46/12/585714612.db2.gz AMWVFUPRQAUXBX-GFCCVEGCSA-N 1 0 221.319 3.531 20 0 BHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777540627 585714706 /nfs/dbraw/zinc/71/47/06/585714706.db2.gz AMWVFUPRQAUXBX-LBPRGKRZSA-N 1 0 221.319 3.531 20 0 BHADRO C[N@H+](Cc1ccccc1)Cc1ccc(CF)cc1 ZINC000777540751 585714600 /nfs/dbraw/zinc/71/46/00/585714600.db2.gz AWQUIKPMBKBZKT-UHFFFAOYSA-N 1 0 243.325 3.788 20 0 BHADRO CC[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777543955 585714780 /nfs/dbraw/zinc/71/47/80/585714780.db2.gz HRZINGSIZGMMOP-CYBMUJFWSA-N 1 0 235.346 3.778 20 0 BHADRO CC[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777543958 585714804 /nfs/dbraw/zinc/71/48/04/585714804.db2.gz HRZINGSIZGMMOP-ZDUSSCGKSA-N 1 0 235.346 3.778 20 0 BHADRO C[N@H+](Cc1ccc(CF)cc1)C1CCCC1 ZINC000777544499 585714824 /nfs/dbraw/zinc/71/48/24/585714824.db2.gz LPZLGAUKFXEDSB-UHFFFAOYSA-N 1 0 221.319 3.531 20 0 BHADRO C[N@H+](Cc1cccs1)Cc1ccc(CF)cc1 ZINC000777544517 585714842 /nfs/dbraw/zinc/71/48/42/585714842.db2.gz LXLXHDMLLKVNBJ-UHFFFAOYSA-N 1 0 249.354 3.850 20 0 BHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777544750 585714309 /nfs/dbraw/zinc/71/43/09/585714309.db2.gz UWJYCGXNYMVCCU-BETUJISGSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CF)cc2)C1 ZINC000777544751 585714324 /nfs/dbraw/zinc/71/43/24/585714324.db2.gz UWJYCGXNYMVCCU-CHWSQXEVSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CF)cc2)C1 ZINC000777544752 585714409 /nfs/dbraw/zinc/71/44/09/585714409.db2.gz UWJYCGXNYMVCCU-STQMWFEESA-N 1 0 235.346 3.634 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777544777 585714927 /nfs/dbraw/zinc/71/49/27/585714927.db2.gz VHXKDWRFQUHPBA-HNNXBMFYSA-N 1 0 235.346 3.921 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777544778 585714993 /nfs/dbraw/zinc/71/49/93/585714993.db2.gz VHXKDWRFQUHPBA-OAHLLOKOSA-N 1 0 235.346 3.921 20 0 BHADRO C[N@H+](Cc1ccc(CF)cc1)C1CCCCC1 ZINC000777545008 585714953 /nfs/dbraw/zinc/71/49/53/585714953.db2.gz VZIIJILQTUNPEU-UHFFFAOYSA-N 1 0 235.346 3.921 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccc(CF)cc2)o1 ZINC000777545222 585714829 /nfs/dbraw/zinc/71/48/29/585714829.db2.gz WUEUWCLCWNITLV-UHFFFAOYSA-N 1 0 247.313 3.690 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777545486 585714368 /nfs/dbraw/zinc/71/43/68/585714368.db2.gz SKFKRHUPHYFVOU-GFCCVEGCSA-N 1 0 223.335 3.632 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777545488 585714242 /nfs/dbraw/zinc/71/42/42/585714242.db2.gz SKFKRHUPHYFVOU-LBPRGKRZSA-N 1 0 223.335 3.632 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777551163 585714890 /nfs/dbraw/zinc/71/48/90/585714890.db2.gz ISOGYARNPHYJBF-GFCCVEGCSA-N 1 0 223.335 3.777 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777551165 585714785 /nfs/dbraw/zinc/71/47/85/585714785.db2.gz ISOGYARNPHYJBF-LBPRGKRZSA-N 1 0 223.335 3.777 20 0 BHADRO C[N@H+](Cc1ccsc1)Cc1ccc(CF)cc1 ZINC000777551579 585714772 /nfs/dbraw/zinc/71/47/72/585714772.db2.gz REUMJUIILWTQOW-UHFFFAOYSA-N 1 0 249.354 3.850 20 0 BHADRO CCC[NH+](CCC)Cc1ccc(CF)cc1 ZINC000777554149 585714796 /nfs/dbraw/zinc/71/47/96/585714796.db2.gz BOKRCOGWLLKSDX-UHFFFAOYSA-N 1 0 223.335 3.778 20 0 BHADRO FCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000777554460 585714733 /nfs/dbraw/zinc/71/47/33/585714733.db2.gz NSDNANINJOAYCT-UHFFFAOYSA-N 1 0 221.319 3.532 20 0 BHADRO CCCC[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777555675 585715106 /nfs/dbraw/zinc/71/51/06/585715106.db2.gz PPAZOGVWPDXTPS-UHFFFAOYSA-N 1 0 235.346 3.921 20 0 BHADRO CC[N@@H+](Cc1ccc(CF)cc1)CC(C)C ZINC000777556335 585715184 /nfs/dbraw/zinc/71/51/84/585715184.db2.gz WNBNUGFEPWLMIF-UHFFFAOYSA-N 1 0 223.335 3.634 20 0 BHADRO CC(C)C[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777556581 585715181 /nfs/dbraw/zinc/71/51/81/585715181.db2.gz YCGDDJWMHPJBGB-UHFFFAOYSA-N 1 0 235.346 3.777 20 0 BHADRO CC(C)[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777557522 585715067 /nfs/dbraw/zinc/71/50/67/585715067.db2.gz KHZYYMVMWWCKMW-UHFFFAOYSA-N 1 0 221.319 3.529 20 0 BHADRO C[C@H](C1CC1)[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777558174 585715162 /nfs/dbraw/zinc/71/51/62/585715162.db2.gz RHAFOESCEUMSFA-GFCCVEGCSA-N 1 0 247.357 3.919 20 0 BHADRO C[C@@H](C1CC1)[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777558175 585715394 /nfs/dbraw/zinc/71/53/94/585715394.db2.gz RHAFOESCEUMSFA-LBPRGKRZSA-N 1 0 247.357 3.919 20 0 BHADRO CC[N@H+](Cc1ccc(CF)cc1)C1CCCC1 ZINC000777558234 585715240 /nfs/dbraw/zinc/71/52/40/585715240.db2.gz UPAWTMSQEZZQAD-UHFFFAOYSA-N 1 0 235.346 3.921 20 0 BHADRO CC(C)CC[N@H+](C)Cc1ccc(CF)cc1 ZINC000777559277 585715419 /nfs/dbraw/zinc/71/54/19/585715419.db2.gz YVDWYRCOBMJLDZ-UHFFFAOYSA-N 1 0 223.335 3.634 20 0 BHADRO CCC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777559299 585715072 /nfs/dbraw/zinc/71/50/72/585715072.db2.gz ZZYKNJBPMJOJDY-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777559652 585715262 /nfs/dbraw/zinc/71/52/62/585715262.db2.gz IGZGUQHHQURADA-UHFFFAOYSA-N 1 0 247.313 3.690 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC000777561380 585715365 /nfs/dbraw/zinc/71/53/65/585715365.db2.gz IHZDKCUVEIPTBT-CYBMUJFWSA-N 1 0 235.346 3.778 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC000777561383 585715359 /nfs/dbraw/zinc/71/53/59/585715359.db2.gz IHZDKCUVEIPTBT-ZDUSSCGKSA-N 1 0 235.346 3.778 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777564297 585715024 /nfs/dbraw/zinc/71/50/24/585715024.db2.gz WLMONXYIDSZYSS-HNNXBMFYSA-N 1 0 235.346 3.777 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777564299 585715331 /nfs/dbraw/zinc/71/53/31/585715331.db2.gz WLMONXYIDSZYSS-OAHLLOKOSA-N 1 0 235.346 3.777 20 0 BHADRO C[N@@H+](Cc1ccc(CF)cc1)CC1CCCC1 ZINC000777566706 585715196 /nfs/dbraw/zinc/71/51/96/585715196.db2.gz MYZDHKVJUQPQKH-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO C[N@H+](Cc1ccc(CF)cc1)C(C1CC1)C1CC1 ZINC000777567714 585715062 /nfs/dbraw/zinc/71/50/62/585715062.db2.gz XONZYNUGLWSTAQ-UHFFFAOYSA-N 1 0 247.357 3.777 20 0 BHADRO CC[N@H+](Cc1ccoc1)Cc1ccc(CF)cc1 ZINC000777569896 585715757 /nfs/dbraw/zinc/71/57/57/585715757.db2.gz GLDKNCUOEJYRNE-UHFFFAOYSA-N 1 0 247.313 3.771 20 0 BHADRO C[N@H+](Cc1ccc(CF)cc1)CC(C)(C)C ZINC000777569897 585715694 /nfs/dbraw/zinc/71/56/94/585715694.db2.gz GOKGFGGIMVBVBK-UHFFFAOYSA-N 1 0 223.335 3.634 20 0 BHADRO CC1(C)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777570304 585715748 /nfs/dbraw/zinc/71/57/48/585715748.db2.gz JQDFKBQXJBKUKX-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO CC[C@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777572499 585715809 /nfs/dbraw/zinc/71/58/09/585715809.db2.gz KRLFIOLZNMRICL-AWEZNQCLSA-N 1 0 221.319 3.531 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777572501 585715636 /nfs/dbraw/zinc/71/56/36/585715636.db2.gz KRLFIOLZNMRICL-CQSZACIVSA-N 1 0 221.319 3.531 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000777574608 585715683 /nfs/dbraw/zinc/71/56/83/585715683.db2.gz KQALMODYIAHVQZ-INIZCTEOSA-N 1 0 247.357 3.921 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000777574609 585715705 /nfs/dbraw/zinc/71/57/05/585715705.db2.gz KQALMODYIAHVQZ-MRXNPFEDSA-N 1 0 247.357 3.921 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000777577110 585715440 /nfs/dbraw/zinc/71/54/40/585715440.db2.gz BPJHQIDTEZPMLD-HNNXBMFYSA-N 1 0 233.330 3.531 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000777577111 585715531 /nfs/dbraw/zinc/71/55/31/585715531.db2.gz BPJHQIDTEZPMLD-OAHLLOKOSA-N 1 0 233.330 3.531 20 0 BHADRO CCC[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777578104 585715638 /nfs/dbraw/zinc/71/56/38/585715638.db2.gz ILLOXCZUGGETNK-UHFFFAOYSA-N 1 0 221.319 3.531 20 0 BHADRO CC1(C)CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777578454 585715430 /nfs/dbraw/zinc/71/54/30/585715430.db2.gz IUVLMCIPXCLWTH-UHFFFAOYSA-N 1 0 221.319 3.531 20 0 BHADRO CC1(C)CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777581165 585716198 /nfs/dbraw/zinc/71/61/98/585716198.db2.gz BMVOBSFKILRTBD-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO CC[C@@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC000777583093 585716174 /nfs/dbraw/zinc/71/61/74/585716174.db2.gz MBMONDGRASEBJO-GFCCVEGCSA-N 1 0 223.335 3.634 20 0 BHADRO CC[C@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC000777583095 585716110 /nfs/dbraw/zinc/71/61/10/585716110.db2.gz MBMONDGRASEBJO-LBPRGKRZSA-N 1 0 223.335 3.634 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(CF)cc1 ZINC000777583151 585715891 /nfs/dbraw/zinc/71/58/91/585715891.db2.gz MUKJUMXNRZCBET-BETUJISGSA-N 1 0 235.346 3.919 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(CF)cc1 ZINC000777583152 585716099 /nfs/dbraw/zinc/71/60/99/585716099.db2.gz MUKJUMXNRZCBET-CHWSQXEVSA-N 1 0 235.346 3.919 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(CF)cc1 ZINC000777583153 585716162 /nfs/dbraw/zinc/71/61/62/585716162.db2.gz MUKJUMXNRZCBET-STQMWFEESA-N 1 0 235.346 3.919 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777583438 585715933 /nfs/dbraw/zinc/71/59/33/585715933.db2.gz BCHLPYXBMLLNSU-CYBMUJFWSA-N 1 0 235.346 3.921 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777583439 585716104 /nfs/dbraw/zinc/71/61/04/585716104.db2.gz BCHLPYXBMLLNSU-ZDUSSCGKSA-N 1 0 235.346 3.921 20 0 BHADRO CC[N@H+](Cc1ccc(CF)cc1)C1CCC1 ZINC000777587131 585715925 /nfs/dbraw/zinc/71/59/25/585715925.db2.gz AKVRPVLWXHWVDB-UHFFFAOYSA-N 1 0 221.319 3.531 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000777589517 585716593 /nfs/dbraw/zinc/71/65/93/585716593.db2.gz AFWWTRNIFNVOHO-CVEARBPZSA-N 1 0 247.357 3.921 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000777589519 585716407 /nfs/dbraw/zinc/71/64/07/585716407.db2.gz AFWWTRNIFNVOHO-HOTGVXAUSA-N 1 0 247.357 3.921 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000777589521 585716377 /nfs/dbraw/zinc/71/63/77/585716377.db2.gz AFWWTRNIFNVOHO-HZPDHXFCSA-N 1 0 247.357 3.921 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000777589522 585716574 /nfs/dbraw/zinc/71/65/74/585716574.db2.gz AFWWTRNIFNVOHO-JKSUJKDBSA-N 1 0 247.357 3.921 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)[C@@H]1C ZINC000777590019 585716555 /nfs/dbraw/zinc/71/65/55/585716555.db2.gz FWJBZFANYXMBAA-CHWSQXEVSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)[C@H]1C ZINC000777590346 585716460 /nfs/dbraw/zinc/71/64/60/585716460.db2.gz FWJBZFANYXMBAA-OLZOCXBDSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777590348 585716361 /nfs/dbraw/zinc/71/63/61/585716361.db2.gz FWJBZFANYXMBAA-QWHCGFSZSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)[C@H]1C ZINC000777590350 585716475 /nfs/dbraw/zinc/71/64/75/585716475.db2.gz FWJBZFANYXMBAA-STQMWFEESA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777593245 585716569 /nfs/dbraw/zinc/71/65/69/585716569.db2.gz AXUZXOITKWQBRI-CHWSQXEVSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777593246 585716444 /nfs/dbraw/zinc/71/64/44/585716444.db2.gz AXUZXOITKWQBRI-OLZOCXBDSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(CF)cc1 ZINC000777593247 585716625 /nfs/dbraw/zinc/71/66/25/585716625.db2.gz AXUZXOITKWQBRI-QWHCGFSZSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777593248 585716442 /nfs/dbraw/zinc/71/64/42/585716442.db2.gz AXUZXOITKWQBRI-STQMWFEESA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(CF)cc1 ZINC000777594477 585716336 /nfs/dbraw/zinc/71/63/36/585716336.db2.gz HGLDBPKMACIQEU-DOMZBBRYSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(CF)cc1 ZINC000777594478 585716580 /nfs/dbraw/zinc/71/65/80/585716580.db2.gz HGLDBPKMACIQEU-IUODEOHRSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(CF)cc1 ZINC000777594479 585716375 /nfs/dbraw/zinc/71/63/75/585716375.db2.gz HGLDBPKMACIQEU-SWLSCSKDSA-N 1 0 235.346 3.777 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(CF)cc1 ZINC000777594480 585716630 /nfs/dbraw/zinc/71/66/30/585716630.db2.gz HGLDBPKMACIQEU-WFASDCNBSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(CF)cc2)C(C)(C)C1 ZINC000777594648 585716494 /nfs/dbraw/zinc/71/64/94/585716494.db2.gz JMPAQRLJNICFER-GFCCVEGCSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C(C)(C)C1 ZINC000777594651 585716413 /nfs/dbraw/zinc/71/64/13/585716413.db2.gz JMPAQRLJNICFER-LBPRGKRZSA-N 1 0 235.346 3.777 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000777595564 585716504 /nfs/dbraw/zinc/71/65/04/585716504.db2.gz YSGBAQDRLDAQNH-UHFFFAOYSA-N 1 0 247.357 3.922 20 0 BHADRO FCc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000777597771 585716723 /nfs/dbraw/zinc/71/67/23/585716723.db2.gz GJMAHMRKCJKYLO-HOTGVXAUSA-N 1 0 247.357 3.778 20 0 BHADRO FCc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000777597772 585716791 /nfs/dbraw/zinc/71/67/91/585716791.db2.gz GJMAHMRKCJKYLO-HZPDHXFCSA-N 1 0 247.357 3.778 20 0 BHADRO FCc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000777597773 585716753 /nfs/dbraw/zinc/71/67/53/585716753.db2.gz GJMAHMRKCJKYLO-IYBDPMFKSA-N 1 0 247.357 3.778 20 0 BHADRO CC[C@@]1(C)CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777599223 585716989 /nfs/dbraw/zinc/71/69/89/585716989.db2.gz GGPZXEKYSPLPTC-HNNXBMFYSA-N 1 0 235.346 3.778 20 0 BHADRO CC[C@]1(C)CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777599227 585716993 /nfs/dbraw/zinc/71/69/93/585716993.db2.gz GGPZXEKYSPLPTC-OAHLLOKOSA-N 1 0 235.346 3.778 20 0 BHADRO C[C@H](C1CC1)[NH+]1CCC(c2ccccc2)CC1 ZINC000777599402 585716924 /nfs/dbraw/zinc/71/69/24/585716924.db2.gz BXMGYTAXUVQDCE-CYBMUJFWSA-N 1 0 229.367 3.665 20 0 BHADRO C[C@@H](C1CC1)[NH+]1CCC(c2ccccc2)CC1 ZINC000777599403 585715820 /nfs/dbraw/zinc/71/58/20/585715820.db2.gz BXMGYTAXUVQDCE-ZDUSSCGKSA-N 1 0 229.367 3.665 20 0 BHADRO CC(C)[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777601089 585716657 /nfs/dbraw/zinc/71/66/57/585716657.db2.gz VECXITXYIMWHMU-HNNXBMFYSA-N 1 0 235.346 3.634 20 0 BHADRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777601092 585716665 /nfs/dbraw/zinc/71/66/65/585716665.db2.gz VECXITXYIMWHMU-OAHLLOKOSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(CF)cc1 ZINC000777601128 585716929 /nfs/dbraw/zinc/71/69/29/585716929.db2.gz VPUQUFUFUPQKGW-RYUDHWBXSA-N 1 0 221.319 3.529 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(CF)cc1 ZINC000777601130 585716691 /nfs/dbraw/zinc/71/66/91/585716691.db2.gz VPUQUFUFUPQKGW-TXEJJXNPSA-N 1 0 221.319 3.529 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(CF)cc1 ZINC000777601132 585716894 /nfs/dbraw/zinc/71/68/94/585716894.db2.gz VPUQUFUFUPQKGW-VXGBXAGGSA-N 1 0 221.319 3.529 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000777601361 585715489 /nfs/dbraw/zinc/71/54/89/585715489.db2.gz XLMCIQWOWPPQGF-UHFFFAOYSA-N 1 0 233.330 3.532 20 0 BHADRO C[C@@H]([N@H+](C)Cc1ccc(CF)cc1)C1(C)CC1 ZINC000777601897 585716820 /nfs/dbraw/zinc/71/68/20/585716820.db2.gz ZOFXVCNGPBJPRP-GFCCVEGCSA-N 1 0 235.346 3.777 20 0 BHADRO C[C@H]([N@H+](C)Cc1ccc(CF)cc1)C1(C)CC1 ZINC000777601898 585716957 /nfs/dbraw/zinc/71/69/57/585716957.db2.gz ZOFXVCNGPBJPRP-LBPRGKRZSA-N 1 0 235.346 3.777 20 0 BHADRO CC(C)[N@@H+](Cc1ccc(CF)cc1)CC1CC1 ZINC000777605726 585716663 /nfs/dbraw/zinc/71/66/63/585716663.db2.gz WIDMAAHISUAEOX-UHFFFAOYSA-N 1 0 235.346 3.777 20 0 BHADRO CC(C)N(Cc1ccc(CF)cc1)CC(F)F ZINC000777605856 585716936 /nfs/dbraw/zinc/71/69/36/585716936.db2.gz WZJDMGUTRBMGGK-UHFFFAOYSA-N 1 0 245.288 3.632 20 0 BHADRO FCc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000777615264 585717279 /nfs/dbraw/zinc/71/72/79/585717279.db2.gz GDFRNTTYZLNXKN-UHFFFAOYSA-N 1 0 247.357 3.778 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777615705 585717042 /nfs/dbraw/zinc/71/70/42/585717042.db2.gz NSYAHZYRIGOMHW-UHFFFAOYSA-N 1 0 223.335 3.777 20 0 BHADRO CC(C)[N@H+](Cc1ccc(CF)cc1)C1CCC1 ZINC000777621414 585717088 /nfs/dbraw/zinc/71/70/88/585717088.db2.gz YEOHBIRVSHFIGA-UHFFFAOYSA-N 1 0 235.346 3.919 20 0 BHADRO CCC[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777644575 585717736 /nfs/dbraw/zinc/71/77/36/585717736.db2.gz INHRGRZAEKQWAN-CYBMUJFWSA-N 1 0 223.747 3.669 20 0 BHADRO CCC[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777644582 585717904 /nfs/dbraw/zinc/71/79/04/585717904.db2.gz INHRGRZAEKQWAN-ZDUSSCGKSA-N 1 0 223.747 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1(CC)CCOCC1 ZINC000777710305 585718438 /nfs/dbraw/zinc/71/84/38/585718438.db2.gz WWGUHIDFVHWURL-AWEZNQCLSA-N 1 0 241.419 3.894 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1(CC)CCOCC1 ZINC000777710306 585718487 /nfs/dbraw/zinc/71/84/87/585718487.db2.gz WWGUHIDFVHWURL-CQSZACIVSA-N 1 0 241.419 3.894 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC000777715564 712416273 /nfs/dbraw/zinc/41/62/73/712416273.db2.gz BZWYPPKUWRSLDP-CHWSQXEVSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C[C@@H]1C ZINC000777715565 712416283 /nfs/dbraw/zinc/41/62/83/712416283.db2.gz BZWYPPKUWRSLDP-OLZOCXBDSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC000777715566 585718492 /nfs/dbraw/zinc/71/84/92/585718492.db2.gz BZWYPPKUWRSLDP-QWHCGFSZSA-N 1 0 235.346 3.634 20 0 BHADRO C[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CC[C@@H]1C ZINC000777715567 585718710 /nfs/dbraw/zinc/71/87/10/585718710.db2.gz BZWYPPKUWRSLDP-STQMWFEESA-N 1 0 235.346 3.634 20 0 BHADRO CC(C)C([NH2+]Cc1ccc(CF)cc1)C(C)C ZINC000777719061 585719273 /nfs/dbraw/zinc/71/92/73/585719273.db2.gz FBHYVSYFZUXFNO-UHFFFAOYSA-N 1 0 237.362 3.926 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(CF)cc1 ZINC000777719295 585719227 /nfs/dbraw/zinc/71/92/27/585719227.db2.gz BDPIPOPODVDEIL-DOMZBBRYSA-N 1 0 235.346 3.919 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(CF)cc1 ZINC000777719298 585719432 /nfs/dbraw/zinc/71/94/32/585719432.db2.gz BDPIPOPODVDEIL-IUODEOHRSA-N 1 0 235.346 3.919 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(CF)cc1 ZINC000777719299 585719387 /nfs/dbraw/zinc/71/93/87/585719387.db2.gz BDPIPOPODVDEIL-SWLSCSKDSA-N 1 0 235.346 3.919 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(CF)cc1 ZINC000777719301 585719367 /nfs/dbraw/zinc/71/93/67/585719367.db2.gz BDPIPOPODVDEIL-WFASDCNBSA-N 1 0 235.346 3.919 20 0 BHADRO C[N@H+](CC1CC1)[C@H]1CCc2cc(Cl)ccc21 ZINC000777870638 585721935 /nfs/dbraw/zinc/72/19/35/585721935.db2.gz QPMSDJVDAVXEKD-AWEZNQCLSA-N 1 0 235.758 3.669 20 0 BHADRO C[N@H+](CC1CC1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777870641 585721546 /nfs/dbraw/zinc/72/15/46/585721546.db2.gz QPMSDJVDAVXEKD-CQSZACIVSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccoc1 ZINC000777920695 585723844 /nfs/dbraw/zinc/72/38/44/585723844.db2.gz RIRQEVVVUAFNTB-GFCCVEGCSA-N 1 0 221.344 3.680 20 0 BHADRO C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948983 585724209 /nfs/dbraw/zinc/72/42/09/585724209.db2.gz DWKCJYHPUYITAL-IINYFYTJSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948985 585724308 /nfs/dbraw/zinc/72/43/08/585724308.db2.gz DWKCJYHPUYITAL-QMTHXVAHSA-N 1 0 235.758 3.669 20 0 BHADRO C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948987 585724292 /nfs/dbraw/zinc/72/42/92/585724292.db2.gz DWKCJYHPUYITAL-YGRLFVJLSA-N 1 0 235.758 3.669 20 0 BHADRO Clc1ccc(C[NH+]2CCCCCCC2)nc1 ZINC000778210176 585727488 /nfs/dbraw/zinc/72/74/88/585727488.db2.gz JPVPFTFQXLBIHO-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO CC(C)CCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000778360723 585732117 /nfs/dbraw/zinc/73/21/17/585732117.db2.gz SAQISVDHOJGVSV-UHFFFAOYSA-N 1 0 240.778 3.603 20 0 BHADRO CC(C)[NH+](Cc1ccc(CF)cc1)C(C)C ZINC000778958336 585743013 /nfs/dbraw/zinc/74/30/13/585743013.db2.gz MHPARQRJJVAADR-UHFFFAOYSA-N 1 0 223.335 3.775 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](C)CCCO)C(C)(C)C ZINC000779065917 585744733 /nfs/dbraw/zinc/74/47/33/585744733.db2.gz SMBCBNGHYYNDPJ-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)CCCO)C(C)(C)C ZINC000779065925 585744599 /nfs/dbraw/zinc/74/45/99/585744599.db2.gz SMBCBNGHYYNDPJ-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](C)CCCO)C(C)(C)C ZINC000779065927 585744510 /nfs/dbraw/zinc/74/45/10/585744510.db2.gz SMBCBNGHYYNDPJ-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H](C)CCCO)C(C)(C)C ZINC000779065929 585744581 /nfs/dbraw/zinc/74/45/81/585744581.db2.gz SMBCBNGHYYNDPJ-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)C(C)(C)C ZINC000779066507 585744715 /nfs/dbraw/zinc/74/47/15/585744715.db2.gz WITDJRSTGBDMKZ-HIFPTAJRSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)C(C)(C)C ZINC000779066508 585744790 /nfs/dbraw/zinc/74/47/90/585744790.db2.gz WITDJRSTGBDMKZ-PNESKVBLSA-N 1 0 241.419 3.604 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145712 585745931 /nfs/dbraw/zinc/74/59/31/585745931.db2.gz FBVWBPXKOFGMIC-BXUZGUMPSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145713 585745665 /nfs/dbraw/zinc/74/56/65/585745665.db2.gz FBVWBPXKOFGMIC-FZMZJTMJSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145714 585745650 /nfs/dbraw/zinc/74/56/50/585745650.db2.gz FBVWBPXKOFGMIC-RISCZKNCSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145715 585745944 /nfs/dbraw/zinc/74/59/44/585745944.db2.gz FBVWBPXKOFGMIC-SMDDNHRTSA-N 1 0 246.329 3.956 20 0 BHADRO Fc1ccc(C[N@H+](C2CC2)C2CCCCC2)cn1 ZINC000779153732 585746122 /nfs/dbraw/zinc/74/61/22/585746122.db2.gz JZCZAUSKXQPNRL-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCCC2)CCO1 ZINC000779177144 585746711 /nfs/dbraw/zinc/74/67/11/585746711.db2.gz GEAQIYONQAMEBL-CABCVRRESA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CCCC2)CCO1 ZINC000779177145 585746874 /nfs/dbraw/zinc/74/68/74/585746874.db2.gz GEAQIYONQAMEBL-GJZGRUSLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)[C@H]1C[C@H]([NH2+]C2CCCC2)CCO1 ZINC000779177146 585746650 /nfs/dbraw/zinc/74/66/50/585746650.db2.gz GEAQIYONQAMEBL-HUUCEWRRSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCCC2)CCO1 ZINC000779177147 585746866 /nfs/dbraw/zinc/74/68/66/585746866.db2.gz GEAQIYONQAMEBL-LSDHHAIUSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C1(C)CC[NH+](Cc2ccoc2)CC1 ZINC000779192498 585747011 /nfs/dbraw/zinc/74/70/11/585747011.db2.gz QMJAUTSKDHJPAP-UHFFFAOYSA-N 1 0 221.344 3.538 20 0 BHADRO CCCC[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000779338173 585751603 /nfs/dbraw/zinc/75/16/03/585751603.db2.gz NYAWDWHOWMDCHG-INIZCTEOSA-N 1 0 240.350 3.561 20 0 BHADRO CCCC[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000779338174 585751587 /nfs/dbraw/zinc/75/15/87/585751587.db2.gz NYAWDWHOWMDCHG-MRXNPFEDSA-N 1 0 240.350 3.561 20 0 BHADRO CCCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000779338211 585751479 /nfs/dbraw/zinc/75/14/79/585751479.db2.gz PGSZDQXCAVQKMR-CYBMUJFWSA-N 1 0 241.325 3.643 20 0 BHADRO CCCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000779338212 585751611 /nfs/dbraw/zinc/75/16/11/585751611.db2.gz PGSZDQXCAVQKMR-ZDUSSCGKSA-N 1 0 241.325 3.643 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000779339426 585751575 /nfs/dbraw/zinc/75/15/75/585751575.db2.gz AMPOTQRRSPMERX-BBRMVZONSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000779339427 585751453 /nfs/dbraw/zinc/75/14/53/585751453.db2.gz AMPOTQRRSPMERX-CJNGLKHVSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000779339428 585751451 /nfs/dbraw/zinc/75/14/51/585751451.db2.gz AMPOTQRRSPMERX-CZUORRHYSA-N 1 0 249.398 3.524 20 0 BHADRO CCC(CC)[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000779339429 585751432 /nfs/dbraw/zinc/75/14/32/585751432.db2.gz AMPOTQRRSPMERX-XJKSGUPXSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@H]1C[N@H+](CCC(F)(F)F)Cc2ccccc21 ZINC000779459968 585755248 /nfs/dbraw/zinc/75/52/48/585755248.db2.gz JBHHMPVTSBSSMI-JTQLQIEISA-N 1 0 243.272 3.558 20 0 BHADRO C[C@@H]1C[N@H+](CCC(F)(F)F)Cc2ccccc21 ZINC000779459972 585755382 /nfs/dbraw/zinc/75/53/82/585755382.db2.gz JBHHMPVTSBSSMI-SNVBAGLBSA-N 1 0 243.272 3.558 20 0 BHADRO CCCCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000779460228 585755343 /nfs/dbraw/zinc/75/53/43/585755343.db2.gz MINRNSGDGDFZPH-CYBMUJFWSA-N 1 0 217.356 3.796 20 0 BHADRO CCCCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000779460250 585755225 /nfs/dbraw/zinc/75/52/25/585755225.db2.gz MINRNSGDGDFZPH-ZDUSSCGKSA-N 1 0 217.356 3.796 20 0 BHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000779642259 585757891 /nfs/dbraw/zinc/75/78/91/585757891.db2.gz QQAALFCMGMQFIM-GDBMZVCRSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CCCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000779642560 585757986 /nfs/dbraw/zinc/75/79/86/585757986.db2.gz QQAALFCMGMQFIM-GOEBONIOSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000779642561 585757959 /nfs/dbraw/zinc/75/79/59/585757959.db2.gz QQAALFCMGMQFIM-HOCLYGCPSA-N 1 0 246.398 3.657 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000779642562 585758032 /nfs/dbraw/zinc/75/80/32/585758032.db2.gz QQAALFCMGMQFIM-ZBFHGGJFSA-N 1 0 246.398 3.657 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000780283906 585776924 /nfs/dbraw/zinc/77/69/24/585776924.db2.gz BDULLXLPSLUDEO-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO CC1(C)CCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000780283918 585776919 /nfs/dbraw/zinc/77/69/19/585776919.db2.gz BDULLXLPSLUDEO-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO c1ccc2c(c1)C[NH+](C[C@@H]1CCc3ccccc31)C2 ZINC000780284298 585776848 /nfs/dbraw/zinc/77/68/48/585776848.db2.gz GNHIUPARCUZCFX-KRWDZBQOSA-N 1 0 249.357 3.732 20 0 BHADRO c1ccc2c(c1)C[NH+](C[C@H]1CCc3ccccc31)C2 ZINC000780284303 585776707 /nfs/dbraw/zinc/77/67/07/585776707.db2.gz GNHIUPARCUZCFX-QGZVFWFLSA-N 1 0 249.357 3.732 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC000780285687 585776725 /nfs/dbraw/zinc/77/67/25/585776725.db2.gz KMWUGUSLZFBURH-AWEZNQCLSA-N 1 0 229.367 3.589 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC000780285690 582827224 /nfs/dbraw/zinc/82/72/24/582827224.db2.gz KMWUGUSLZFBURH-CQSZACIVSA-N 1 0 229.367 3.589 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH+]1CCCCCC1 ZINC000780289414 585776828 /nfs/dbraw/zinc/77/68/28/585776828.db2.gz PZNWJINVTNIPTA-HNNXBMFYSA-N 1 0 229.367 3.592 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH+]1CCCCCC1 ZINC000780289415 585776988 /nfs/dbraw/zinc/77/69/88/585776988.db2.gz PZNWJINVTNIPTA-OAHLLOKOSA-N 1 0 229.367 3.592 20 0 BHADRO CC[N@H+](C[C@@H]1CCc2ccccc21)C1CCC1 ZINC000780289759 585777021 /nfs/dbraw/zinc/77/70/21/585777021.db2.gz GFPKMLCWJCCYBN-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO CC[N@H+](C[C@H]1CCc2ccccc21)C1CCC1 ZINC000780289760 585776943 /nfs/dbraw/zinc/77/69/43/585776943.db2.gz GFPKMLCWJCCYBN-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000780289813 585776817 /nfs/dbraw/zinc/77/68/17/585776817.db2.gz UFJZNJRANRTZNP-DZGCQCFKSA-N 1 0 229.367 3.591 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000780289814 585777031 /nfs/dbraw/zinc/77/70/31/585777031.db2.gz UFJZNJRANRTZNP-HIFRSBDPSA-N 1 0 229.367 3.591 20 0 BHADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000780289815 585776945 /nfs/dbraw/zinc/77/69/45/585776945.db2.gz UFJZNJRANRTZNP-UKRRQHHQSA-N 1 0 229.367 3.591 20 0 BHADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000780290212 585776753 /nfs/dbraw/zinc/77/67/53/585776753.db2.gz UFJZNJRANRTZNP-ZFWWWQNUSA-N 1 0 229.367 3.591 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000780293289 585777127 /nfs/dbraw/zinc/77/71/27/585777127.db2.gz QYUADCLLKRKJLK-CABCVRRESA-N 1 0 229.367 3.591 20 0 BHADRO CC[C@H]1CCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000780293290 585777193 /nfs/dbraw/zinc/77/71/93/585777193.db2.gz QYUADCLLKRKJLK-GJZGRUSLSA-N 1 0 229.367 3.591 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000780293291 585777292 /nfs/dbraw/zinc/77/72/92/585777292.db2.gz QYUADCLLKRKJLK-HUUCEWRRSA-N 1 0 229.367 3.591 20 0 BHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000780293293 585777298 /nfs/dbraw/zinc/77/72/98/585777298.db2.gz QYUADCLLKRKJLK-LSDHHAIUSA-N 1 0 229.367 3.591 20 0 BHADRO CCC[N@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC000780294155 585777091 /nfs/dbraw/zinc/77/70/91/585777091.db2.gz TYQXJVHEJFPTMF-AWEZNQCLSA-N 1 0 229.367 3.591 20 0 BHADRO CCC[N@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC000780294156 585777228 /nfs/dbraw/zinc/77/72/28/585777228.db2.gz TYQXJVHEJFPTMF-CQSZACIVSA-N 1 0 229.367 3.591 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000780294598 585777260 /nfs/dbraw/zinc/77/72/60/585777260.db2.gz WUKFFZCAQTUMPU-AWEZNQCLSA-N 1 0 231.383 3.885 20 0 BHADRO CCCC(C)(C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000780294608 585777319 /nfs/dbraw/zinc/77/73/19/585777319.db2.gz WUKFFZCAQTUMPU-CQSZACIVSA-N 1 0 231.383 3.885 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000780294701 585777176 /nfs/dbraw/zinc/77/71/76/585777176.db2.gz XVDXIENRCCCTGE-DOTOQJQBSA-N 1 0 241.378 3.591 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000780294702 585777289 /nfs/dbraw/zinc/77/72/89/585777289.db2.gz XVDXIENRCCCTGE-NVXWUHKLSA-N 1 0 241.378 3.591 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[N@@H+]1CCC[C@H]1C1CC1 ZINC000780294706 585777273 /nfs/dbraw/zinc/77/72/73/585777273.db2.gz XVDXIENRCCCTGE-RDJZCZTQSA-N 1 0 241.378 3.591 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CCC[C@H]1C1CC1 ZINC000780294884 585777394 /nfs/dbraw/zinc/77/73/94/585777394.db2.gz XVDXIENRCCCTGE-WBVHZDCISA-N 1 0 241.378 3.591 20 0 BHADRO C[N@H+](C[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC000780295074 585777384 /nfs/dbraw/zinc/77/73/84/585777384.db2.gz ZNZIHGMUFSSENX-AWEZNQCLSA-N 1 0 231.383 3.694 20 0 BHADRO C[N@H+](C[C@H]1CCc2ccccc21)CC(C)(C)C ZINC000780295075 585777283 /nfs/dbraw/zinc/77/72/83/585777283.db2.gz ZNZIHGMUFSSENX-CQSZACIVSA-N 1 0 231.383 3.694 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CCc2ccccc21)C1(C)CC1 ZINC000780297903 585777113 /nfs/dbraw/zinc/77/71/13/585777113.db2.gz OFSFVCZVIBZDLU-DZGCQCFKSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CCc2ccccc21)C1(C)CC1 ZINC000780297904 585777172 /nfs/dbraw/zinc/77/71/72/585777172.db2.gz OFSFVCZVIBZDLU-HIFRSBDPSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CCc2ccccc21)C1(C)CC1 ZINC000780297906 585777313 /nfs/dbraw/zinc/77/73/13/585777313.db2.gz OFSFVCZVIBZDLU-UKRRQHHQSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CCc2ccccc21)C1(C)CC1 ZINC000780297908 585777142 /nfs/dbraw/zinc/77/71/42/585777142.db2.gz OFSFVCZVIBZDLU-ZFWWWQNUSA-N 1 0 243.394 3.837 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[N@@H+]1CCC2(CCC2)C1 ZINC000780297911 585777355 /nfs/dbraw/zinc/77/73/55/585777355.db2.gz OGVTVDYJSWAGND-HNNXBMFYSA-N 1 0 241.378 3.592 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CCC2(CCC2)C1 ZINC000780297913 585777285 /nfs/dbraw/zinc/77/72/85/585777285.db2.gz OGVTVDYJSWAGND-OAHLLOKOSA-N 1 0 241.378 3.592 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCc2ccccc21 ZINC000780299253 585777417 /nfs/dbraw/zinc/77/74/17/585777417.db2.gz YJXIMNRLVJIQCX-GUTXKFCHSA-N 1 0 229.367 3.589 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCc2ccccc21 ZINC000780299255 585777129 /nfs/dbraw/zinc/77/71/29/585777129.db2.gz YJXIMNRLVJIQCX-NFAWXSAZSA-N 1 0 229.367 3.589 20 0 BHADRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCc2ccccc21 ZINC000780299257 585777343 /nfs/dbraw/zinc/77/73/43/585777343.db2.gz YJXIMNRLVJIQCX-UMVBOHGHSA-N 1 0 229.367 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCc2ccccc21 ZINC000780299258 585777181 /nfs/dbraw/zinc/77/71/81/585777181.db2.gz YJXIMNRLVJIQCX-VNHYZAJKSA-N 1 0 229.367 3.589 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000780300478 585777386 /nfs/dbraw/zinc/77/73/86/585777386.db2.gz FCKSIJORQXMQMF-HRCADAONSA-N 1 0 239.362 3.509 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000780300479 585777191 /nfs/dbraw/zinc/77/71/91/585777191.db2.gz FCKSIJORQXMQMF-OWCLPIDISA-N 1 0 239.362 3.509 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@@H]1CCc2ccccc21 ZINC000780300563 585777341 /nfs/dbraw/zinc/77/73/41/585777341.db2.gz AYHDIOOWWGHZRI-INIZCTEOSA-N 1 0 243.394 3.837 20 0 BHADRO CC(C)[N@H+](CC1CC1)C[C@H]1CCc2ccccc21 ZINC000780300565 585777332 /nfs/dbraw/zinc/77/73/32/585777332.db2.gz AYHDIOOWWGHZRI-MRXNPFEDSA-N 1 0 243.394 3.837 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000780301980 585777482 /nfs/dbraw/zinc/77/74/82/585777482.db2.gz MWEAYFFPCRJSJB-AWEZNQCLSA-N 1 0 231.383 3.885 20 0 BHADRO CCC(C)(CC)[NH2+]C[C@H]1CCc2ccccc21 ZINC000780301981 585777536 /nfs/dbraw/zinc/77/75/36/585777536.db2.gz MWEAYFFPCRJSJB-CQSZACIVSA-N 1 0 231.383 3.885 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCc2ccccc21)C1CCC1 ZINC000780303378 585777563 /nfs/dbraw/zinc/77/75/63/585777563.db2.gz KTFCUULDOMFFOC-HNNXBMFYSA-N 1 0 243.394 3.979 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCc2ccccc21)C1CCC1 ZINC000780303380 585777621 /nfs/dbraw/zinc/77/76/21/585777621.db2.gz KTFCUULDOMFFOC-OAHLLOKOSA-N 1 0 243.394 3.979 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000780303825 585777549 /nfs/dbraw/zinc/77/75/49/585777549.db2.gz OBMAQKHPWZCJBV-AWEZNQCLSA-N 1 0 231.383 3.837 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000780303828 585777663 /nfs/dbraw/zinc/77/76/63/585777663.db2.gz OBMAQKHPWZCJBV-CQSZACIVSA-N 1 0 231.383 3.837 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780391968 585778699 /nfs/dbraw/zinc/77/86/99/585778699.db2.gz HJCLZOHMTSLYDX-KTKHRGRVSA-N 1 0 247.769 3.917 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780391980 585778750 /nfs/dbraw/zinc/77/87/50/585778750.db2.gz HJCLZOHMTSLYDX-SKOLJOEYSA-N 1 0 247.769 3.917 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780391982 585778712 /nfs/dbraw/zinc/77/87/12/585778712.db2.gz HJCLZOHMTSLYDX-XSHWTXFYSA-N 1 0 247.769 3.917 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780391985 585778682 /nfs/dbraw/zinc/77/86/82/585778682.db2.gz HJCLZOHMTSLYDX-YGANFRDJSA-N 1 0 247.769 3.917 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000780513009 585779731 /nfs/dbraw/zinc/77/97/31/585779731.db2.gz ZDUZNGALEBVBGJ-DZGCQCFKSA-N 1 0 235.346 3.852 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000780513017 585779848 /nfs/dbraw/zinc/77/98/48/585779848.db2.gz ZDUZNGALEBVBGJ-HIFRSBDPSA-N 1 0 235.346 3.852 20 0 BHADRO CCCC[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000780513018 585779696 /nfs/dbraw/zinc/77/96/96/585779696.db2.gz ZDUZNGALEBVBGJ-UKRRQHHQSA-N 1 0 235.346 3.852 20 0 BHADRO CCCC[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000780513019 585779719 /nfs/dbraw/zinc/77/97/19/585779719.db2.gz ZDUZNGALEBVBGJ-ZFWWWQNUSA-N 1 0 235.346 3.852 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)CC(F)(F)F)c(C)o1 ZINC000780587825 585781971 /nfs/dbraw/zinc/78/19/71/585781971.db2.gz RDKAVKYYEWMZCH-UHFFFAOYSA-N 1 0 249.276 3.717 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000780724353 585783571 /nfs/dbraw/zinc/78/35/71/585783571.db2.gz NEKWGUUSGDIOQD-CHWSQXEVSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000780724354 585783570 /nfs/dbraw/zinc/78/35/70/585783570.db2.gz NEKWGUUSGDIOQD-OLZOCXBDSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000780724355 585783594 /nfs/dbraw/zinc/78/35/94/585783594.db2.gz NEKWGUUSGDIOQD-QWHCGFSZSA-N 1 0 248.414 3.977 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000780724356 585783764 /nfs/dbraw/zinc/78/37/64/585783764.db2.gz NEKWGUUSGDIOQD-STQMWFEESA-N 1 0 248.414 3.977 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCOC1CCC1 ZINC000780740089 585784178 /nfs/dbraw/zinc/78/41/78/585784178.db2.gz ABPVHUNXOPJYME-KBPBESRZSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCOC1CCC1 ZINC000780740091 585784093 /nfs/dbraw/zinc/78/40/93/585784093.db2.gz ABPVHUNXOPJYME-KGLIPLIRSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCOC1CCC1 ZINC000780740092 585784061 /nfs/dbraw/zinc/78/40/61/585784061.db2.gz ABPVHUNXOPJYME-UONOGXRCSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCOC1CCC1 ZINC000780740093 585784226 /nfs/dbraw/zinc/78/42/26/585784226.db2.gz ABPVHUNXOPJYME-ZIAGYGMSSA-N 1 0 241.419 3.606 20 0 BHADRO COCCC1(C[NH2+]CCCCC(C)C)CCC1 ZINC000780764854 585784611 /nfs/dbraw/zinc/78/46/11/585784611.db2.gz QVKLHEAGCJLIBD-UHFFFAOYSA-N 1 0 241.419 3.609 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccsc1 ZINC000781102965 585790217 /nfs/dbraw/zinc/79/02/17/585790217.db2.gz LNVSSJKUGBLFKI-UHFFFAOYSA-N 1 0 211.374 3.760 20 0 BHADRO COc1ccc(C[NH2+][C@H]2CCCC2(C)C)c(C)c1 ZINC000781515829 585797855 /nfs/dbraw/zinc/79/78/55/585797855.db2.gz CMHBAIHXZRLZKE-HNNXBMFYSA-N 1 0 247.382 3.672 20 0 BHADRO COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)c(C)c1 ZINC000781515831 585797840 /nfs/dbraw/zinc/79/78/40/585797840.db2.gz CMHBAIHXZRLZKE-OAHLLOKOSA-N 1 0 247.382 3.672 20 0 BHADRO Cc1noc(C)c1C[N@H+](C)CCCC(C)(C)C ZINC000781885523 585804624 /nfs/dbraw/zinc/80/46/24/585804624.db2.gz RDDBXRDTEDRKKF-UHFFFAOYSA-N 1 0 238.375 3.550 20 0 BHADRO CC[N@H+](CCCC(C)(C)C)CCc1ccccn1 ZINC000781898516 585804699 /nfs/dbraw/zinc/80/46/99/585804699.db2.gz KBSNDWIGLCWSLS-UHFFFAOYSA-N 1 0 248.414 3.772 20 0 BHADRO CC[N@H+](Cc1cscn1)[C@H]1CCCC[C@@H]1C ZINC000781923476 585805524 /nfs/dbraw/zinc/80/55/24/585805524.db2.gz DECMLGJRLJGTQW-AAEUAGOBSA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cscn1)[C@@H]1CCCC[C@H]1C ZINC000781923477 585805449 /nfs/dbraw/zinc/80/54/49/585805449.db2.gz DECMLGJRLJGTQW-DGCLKSJQSA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cscn1)[C@@H]1CCCC[C@@H]1C ZINC000781923478 585805319 /nfs/dbraw/zinc/80/53/19/585805319.db2.gz DECMLGJRLJGTQW-WCQYABFASA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](Cc1cscn1)[C@H]1CCCC[C@H]1C ZINC000781923479 585805483 /nfs/dbraw/zinc/80/54/83/585805483.db2.gz DECMLGJRLJGTQW-YPMHNXCESA-N 1 0 238.400 3.544 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@@H]1CCCC[C@H]1C ZINC000781924882 585805413 /nfs/dbraw/zinc/80/54/13/585805413.db2.gz RBIJBVDBXDHJQZ-BBBNCSCVSA-N 1 0 215.768 3.640 20 0 BHADRO CC[N@H+](C/C=C/Cl)[C@@H]1CCCC[C@@H]1C ZINC000781924883 585805577 /nfs/dbraw/zinc/80/55/77/585805577.db2.gz RBIJBVDBXDHJQZ-GJEJFBSKSA-N 1 0 215.768 3.640 20 0 BHADRO CC[N@H+](C/C=C\Cl)[C@@H]1CCCC[C@@H]1C ZINC000781924884 585805478 /nfs/dbraw/zinc/80/54/78/585805478.db2.gz RBIJBVDBXDHJQZ-NYMIHGAESA-N 1 0 215.768 3.640 20 0 BHADRO CC[N@H+](C/C=C\Cl)[C@@H]1CCCC[C@H]1C ZINC000781924885 585805428 /nfs/dbraw/zinc/80/54/28/585805428.db2.gz RBIJBVDBXDHJQZ-REIMVRAHSA-N 1 0 215.768 3.640 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000781985804 644737199 /nfs/dbraw/zinc/73/71/99/644737199.db2.gz PEZCCYLYABRXII-CHPNCVJKSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000781985817 644737039 /nfs/dbraw/zinc/73/70/39/644737039.db2.gz PEZCCYLYABRXII-OTXQMUPVSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000781985818 644737927 /nfs/dbraw/zinc/73/79/27/644737927.db2.gz PEZCCYLYABRXII-OYUORYAFSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000781985819 644737275 /nfs/dbraw/zinc/73/72/75/644737275.db2.gz PEZCCYLYABRXII-VUUNSECVSA-N 1 0 236.186 3.673 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000782108993 644740554 /nfs/dbraw/zinc/74/05/54/644740554.db2.gz YCLUBNPPZALONK-CKRBCLJCSA-N 1 0 248.197 3.818 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000782108994 644740544 /nfs/dbraw/zinc/74/05/44/644740544.db2.gz YCLUBNPPZALONK-GZXATSTBSA-N 1 0 248.197 3.818 20 0 BHADRO C[C@@H]1CC[C@@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC000782108995 644740746 /nfs/dbraw/zinc/74/07/46/644740746.db2.gz YCLUBNPPZALONK-QESQTXLRSA-N 1 0 248.197 3.818 20 0 BHADRO C[C@@H]1CC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC000782108996 644740641 /nfs/dbraw/zinc/74/06/41/644740641.db2.gz YCLUBNPPZALONK-TXCQAMFQSA-N 1 0 248.197 3.818 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000782181439 585810053 /nfs/dbraw/zinc/81/00/53/585810053.db2.gz HZGQJFPDSNYBFL-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000782181440 585810359 /nfs/dbraw/zinc/81/03/59/585810359.db2.gz HZGQJFPDSNYBFL-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC2(CCCC2)C1 ZINC000782181781 585810032 /nfs/dbraw/zinc/81/00/32/585810032.db2.gz LAIZXBRBVUNLBH-INIZCTEOSA-N 1 0 241.378 3.940 20 0 BHADRO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCC2(CCCC2)C1 ZINC000782181795 585810432 /nfs/dbraw/zinc/81/04/32/585810432.db2.gz LAIZXBRBVUNLBH-MRXNPFEDSA-N 1 0 241.378 3.940 20 0 BHADRO C[C@H](C1CC1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000782181828 585810250 /nfs/dbraw/zinc/81/02/50/585810250.db2.gz LXXQZBYAAFMZKV-GFCCVEGCSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H](C1CC1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000782181831 585810462 /nfs/dbraw/zinc/81/04/62/585810462.db2.gz LXXQZBYAAFMZKV-LBPRGKRZSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000782181890 585810370 /nfs/dbraw/zinc/81/03/70/585810370.db2.gz JEMZTWAJRRUFDQ-DOMZBBRYSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000782181891 585810451 /nfs/dbraw/zinc/81/04/51/585810451.db2.gz JEMZTWAJRRUFDQ-IUODEOHRSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000782181892 585810170 /nfs/dbraw/zinc/81/01/70/585810170.db2.gz JEMZTWAJRRUFDQ-SWLSCSKDSA-N 1 0 247.407 3.575 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000782181893 585810287 /nfs/dbraw/zinc/81/02/87/585810287.db2.gz JEMZTWAJRRUFDQ-WFASDCNBSA-N 1 0 247.407 3.575 20 0 BHADRO CC1=CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782181927 585810401 /nfs/dbraw/zinc/81/04/01/585810401.db2.gz LLUYCJBRCAQJKQ-HNNXBMFYSA-N 1 0 247.769 3.979 20 0 BHADRO CC1=CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782181928 585810289 /nfs/dbraw/zinc/81/02/89/585810289.db2.gz LLUYCJBRCAQJKQ-OAHLLOKOSA-N 1 0 247.769 3.979 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000782182132 585810184 /nfs/dbraw/zinc/81/01/84/585810184.db2.gz SFQUQXURYXPIIQ-GFCCVEGCSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000782182133 585810355 /nfs/dbraw/zinc/81/03/55/585810355.db2.gz SFQUQXURYXPIIQ-LBPRGKRZSA-N 1 0 229.367 3.578 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000782182154 585810117 /nfs/dbraw/zinc/81/01/17/585810117.db2.gz ULDCJVQFAZBYPG-DZGCQCFKSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000782182181 585810198 /nfs/dbraw/zinc/81/01/98/585810198.db2.gz ULDCJVQFAZBYPG-HIFRSBDPSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000782182184 585810311 /nfs/dbraw/zinc/81/03/11/585810311.db2.gz ULDCJVQFAZBYPG-UKRRQHHQSA-N 1 0 219.372 3.607 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000782182187 585810124 /nfs/dbraw/zinc/81/01/24/585810124.db2.gz ULDCJVQFAZBYPG-ZFWWWQNUSA-N 1 0 219.372 3.607 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000782182354 585810377 /nfs/dbraw/zinc/81/03/77/585810377.db2.gz BWXYGZMKBSIRIS-CYBMUJFWSA-N 1 0 217.356 3.542 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000782182355 585809690 /nfs/dbraw/zinc/80/96/90/585809690.db2.gz BWXYGZMKBSIRIS-ZDUSSCGKSA-N 1 0 217.356 3.542 20 0 BHADRO C[C@H](C1CC1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000782182409 585810407 /nfs/dbraw/zinc/81/04/07/585810407.db2.gz PDBKWBGGCCJDLT-GFCCVEGCSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H](C1CC1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000782182410 585810186 /nfs/dbraw/zinc/81/01/86/585810186.db2.gz PDBKWBGGCCJDLT-LBPRGKRZSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C1CC1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000782182746 585810758 /nfs/dbraw/zinc/81/07/58/585810758.db2.gz PQKTXOVEXOHXQM-GFCCVEGCSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@@H](C1CC1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000782182747 585810902 /nfs/dbraw/zinc/81/09/02/585810902.db2.gz PQKTXOVEXOHXQM-LBPRGKRZSA-N 1 0 247.357 3.804 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000782183156 585810756 /nfs/dbraw/zinc/81/07/56/585810756.db2.gz WADWQZFEQNWEHN-BXUZGUMPSA-N 1 0 249.785 3.928 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000782183157 585810761 /nfs/dbraw/zinc/81/07/61/585810761.db2.gz WADWQZFEQNWEHN-FZMZJTMJSA-N 1 0 249.785 3.928 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000782183159 585810849 /nfs/dbraw/zinc/81/08/49/585810849.db2.gz WADWQZFEQNWEHN-RISCZKNCSA-N 1 0 249.785 3.928 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000782183161 585810829 /nfs/dbraw/zinc/81/08/29/585810829.db2.gz WADWQZFEQNWEHN-SMDDNHRTSA-N 1 0 249.785 3.928 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782183639 585810486 /nfs/dbraw/zinc/81/04/86/585810486.db2.gz OIOXWBGTUUZZBP-DZGCQCFKSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782183640 585810878 /nfs/dbraw/zinc/81/08/78/585810878.db2.gz OIOXWBGTUUZZBP-HIFRSBDPSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782183641 585810511 /nfs/dbraw/zinc/81/05/11/585810511.db2.gz OIOXWBGTUUZZBP-UKRRQHHQSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782183642 585810921 /nfs/dbraw/zinc/81/09/21/585810921.db2.gz OIOXWBGTUUZZBP-ZFWWWQNUSA-N 1 0 229.367 3.583 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782188034 585811002 /nfs/dbraw/zinc/81/10/02/585811002.db2.gz PHYPRQPGBBHRJD-CHWSQXEVSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782188042 585811171 /nfs/dbraw/zinc/81/11/71/585811171.db2.gz PHYPRQPGBBHRJD-OLZOCXBDSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[C@H]1CCC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782188044 585811145 /nfs/dbraw/zinc/81/11/45/585811145.db2.gz PHYPRQPGBBHRJD-QWHCGFSZSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782188047 585811211 /nfs/dbraw/zinc/81/12/11/585811211.db2.gz PHYPRQPGBBHRJD-STQMWFEESA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)CC1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000782189151 585811202 /nfs/dbraw/zinc/81/12/02/585811202.db2.gz FYBXQICJBLAVBQ-GFCCVEGCSA-N 1 0 209.377 3.543 20 0 BHADRO CC(C)CC1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000782189153 585811223 /nfs/dbraw/zinc/81/12/23/585811223.db2.gz FYBXQICJBLAVBQ-LBPRGKRZSA-N 1 0 209.377 3.543 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000782190012 585811123 /nfs/dbraw/zinc/81/11/23/585811123.db2.gz SXBVXSBDKGFCOE-CKEIUWERSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000782190017 632503166 /nfs/dbraw/zinc/50/31/66/632503166.db2.gz SXBVXSBDKGFCOE-CPUCHLNUSA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000782190028 632502967 /nfs/dbraw/zinc/50/29/67/632502967.db2.gz SXBVXSBDKGFCOE-JKIFEVAISA-N 1 0 243.394 3.911 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000782190037 632504268 /nfs/dbraw/zinc/50/42/68/632504268.db2.gz SXBVXSBDKGFCOE-KEYYUXOJSA-N 1 0 243.394 3.911 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[N@H+]1CC=CCC1 ZINC000782190802 585811835 /nfs/dbraw/zinc/81/18/35/585811835.db2.gz NHWWLBQVXBNRJB-AWEZNQCLSA-N 1 0 233.742 3.589 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[N@H+]1CC=CCC1 ZINC000782190803 585811476 /nfs/dbraw/zinc/81/14/76/585811476.db2.gz NHWWLBQVXBNRJB-CQSZACIVSA-N 1 0 233.742 3.589 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH+]1CCCCC1 ZINC000782191346 632508304 /nfs/dbraw/zinc/50/83/04/632508304.db2.gz PNGDXOSYRJYDRL-AWEZNQCLSA-N 1 0 235.758 3.813 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH+]1CCCCC1 ZINC000782191347 632507442 /nfs/dbraw/zinc/50/74/42/632507442.db2.gz PNGDXOSYRJYDRL-CQSZACIVSA-N 1 0 235.758 3.813 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000782191486 585811791 /nfs/dbraw/zinc/81/17/91/585811791.db2.gz WJXBLHICPQENFX-GFCCVEGCSA-N 1 0 225.401 3.801 20 0 BHADRO CCCC[C@H](C)[N@H+](C)CCc1cccs1 ZINC000782191495 585811806 /nfs/dbraw/zinc/81/18/06/585811806.db2.gz WJXBLHICPQENFX-LBPRGKRZSA-N 1 0 225.401 3.801 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000782192219 585811465 /nfs/dbraw/zinc/81/14/65/585811465.db2.gz ZAWORRJVMXZSPP-GFCCVEGCSA-N 1 0 239.428 3.537 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000782192223 585811823 /nfs/dbraw/zinc/81/18/23/585811823.db2.gz ZAWORRJVMXZSPP-LBPRGKRZSA-N 1 0 239.428 3.537 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)cc1 ZINC000782193376 585811696 /nfs/dbraw/zinc/81/16/96/585811696.db2.gz MEHNEJRDZBGCOM-BBRMVZONSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@H]2CC[N@@H+]([C@H](C)C3CC3)C2)cc1 ZINC000782193379 585811450 /nfs/dbraw/zinc/81/14/50/585811450.db2.gz MEHNEJRDZBGCOM-CJNGLKHVSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H](C)C3CC3)C2)cc1 ZINC000782193380 585811705 /nfs/dbraw/zinc/81/17/05/585811705.db2.gz MEHNEJRDZBGCOM-CZUORRHYSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)cc1 ZINC000782193382 585811663 /nfs/dbraw/zinc/81/16/63/585811663.db2.gz MEHNEJRDZBGCOM-XJKSGUPXSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)c1 ZINC000782193427 585811559 /nfs/dbraw/zinc/81/15/59/585811559.db2.gz MXUAZMPAYSVUEP-BBRMVZONSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1cccc([C@H]2CC[N@@H+]([C@H](C)C3CC3)C2)c1 ZINC000782193429 585811547 /nfs/dbraw/zinc/81/15/47/585811547.db2.gz MXUAZMPAYSVUEP-CJNGLKHVSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H](C)C3CC3)C2)c1 ZINC000782193430 585811630 /nfs/dbraw/zinc/81/16/30/585811630.db2.gz MXUAZMPAYSVUEP-CZUORRHYSA-N 1 0 229.367 3.583 20 0 BHADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)c1 ZINC000782193432 585811592 /nfs/dbraw/zinc/81/15/92/585811592.db2.gz MXUAZMPAYSVUEP-XJKSGUPXSA-N 1 0 229.367 3.583 20 0 BHADRO CC[NH+](CC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782194261 585811974 /nfs/dbraw/zinc/81/19/74/585811974.db2.gz OSRYCOLBNUSPSF-CYBMUJFWSA-N 1 0 223.747 3.669 20 0 BHADRO CC[NH+](CC)[C@H]1CCc2cc(Cl)ccc21 ZINC000782194265 585811975 /nfs/dbraw/zinc/81/19/75/585811975.db2.gz OSRYCOLBNUSPSF-ZDUSSCGKSA-N 1 0 223.747 3.669 20 0 BHADRO Cc1cccc(C2=CC[N@H+]([C@@H](C)C3CC3)CC2)c1 ZINC000782194369 585811994 /nfs/dbraw/zinc/81/19/94/585811994.db2.gz XJWYLDXYTUYSSD-AWEZNQCLSA-N 1 0 241.378 3.883 20 0 BHADRO C[C@H](C1CC1)[NH+]1CCC(c2ccsc2)CC1 ZINC000782195230 585811929 /nfs/dbraw/zinc/81/19/29/585811929.db2.gz YLWMRSDJEJJQHD-LLVKDONJSA-N 1 0 235.396 3.726 20 0 BHADRO C[C@@H](C1CC1)[NH+]1CCC(c2ccsc2)CC1 ZINC000782195231 585811954 /nfs/dbraw/zinc/81/19/54/585811954.db2.gz YLWMRSDJEJJQHD-NSHDSACASA-N 1 0 235.396 3.726 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000782464988 585818653 /nfs/dbraw/zinc/81/86/53/585818653.db2.gz VYPUCGSKSDMDPK-CABCVRRESA-N 1 0 249.398 3.640 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000782464989 585818756 /nfs/dbraw/zinc/81/87/56/585818756.db2.gz VYPUCGSKSDMDPK-GJZGRUSLSA-N 1 0 249.398 3.640 20 0 BHADRO CO[C@H](C)C[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000782464990 585818647 /nfs/dbraw/zinc/81/86/47/585818647.db2.gz VYPUCGSKSDMDPK-HUUCEWRRSA-N 1 0 249.398 3.640 20 0 BHADRO CO[C@@H](C)C[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000782464991 585818892 /nfs/dbraw/zinc/81/88/92/585818892.db2.gz VYPUCGSKSDMDPK-LSDHHAIUSA-N 1 0 249.398 3.640 20 0 BHADRO C[C@@H]1C[N@H+](CCc2cccs2)[C@@H]2CCCC[C@@H]21 ZINC000782502508 585819296 /nfs/dbraw/zinc/81/92/96/585819296.db2.gz HKSWUPGKBKLAIR-BPLDGKMQSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1C[N@H+](CCc2cccs2)[C@H]2CCCC[C@@H]12 ZINC000782502525 585819351 /nfs/dbraw/zinc/81/93/51/585819351.db2.gz HKSWUPGKBKLAIR-SNPRPXQTSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1C[N@H+](CCc2cccs2)[C@@H]2CCCC[C@H]21 ZINC000782502528 585819172 /nfs/dbraw/zinc/81/91/72/585819172.db2.gz HKSWUPGKBKLAIR-VHDGCEQUSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1C[N@H+](CCc2cccs2)[C@H]2CCCC[C@H]12 ZINC000782502531 585819401 /nfs/dbraw/zinc/81/94/01/585819401.db2.gz HKSWUPGKBKLAIR-YUELXQCFSA-N 1 0 249.423 3.801 20 0 BHADRO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)[C@@H]2CCCC[C@H]21 ZINC000782505220 585819371 /nfs/dbraw/zinc/81/93/71/585819371.db2.gz WLIWMHUUJSEZPF-AXIQDABYSA-N 1 0 248.197 3.816 20 0 BHADRO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)[C@@H]2CCCC[C@@H]21 ZINC000782505221 585819368 /nfs/dbraw/zinc/81/93/68/585819368.db2.gz WLIWMHUUJSEZPF-LXUHNGFDSA-N 1 0 248.197 3.816 20 0 BHADRO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)[C@@H]2CCCC[C@H]21 ZINC000782505222 585819139 /nfs/dbraw/zinc/81/91/39/585819139.db2.gz WLIWMHUUJSEZPF-NCWOZAGMSA-N 1 0 248.197 3.816 20 0 BHADRO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)[C@@H]2CCCC[C@@H]21 ZINC000782505223 585819320 /nfs/dbraw/zinc/81/93/20/585819320.db2.gz WLIWMHUUJSEZPF-XWXGRMNFSA-N 1 0 248.197 3.816 20 0 BHADRO CC(C)c1ccccc1C[NH2+]Cc1ccco1 ZINC000782539052 585819954 /nfs/dbraw/zinc/81/99/54/585819954.db2.gz FAZJVWJBXRLXTN-UHFFFAOYSA-N 1 0 229.323 3.693 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C1CCSCC1 ZINC000782539219 585819796 /nfs/dbraw/zinc/81/97/96/585819796.db2.gz HSJODSSVBXUZFX-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)c1ccccc1C[NH2+]Cc1ccoc1 ZINC000782539496 585820003 /nfs/dbraw/zinc/82/00/03/585820003.db2.gz KHQMJYVIIHCJSQ-UHFFFAOYSA-N 1 0 229.323 3.693 20 0 BHADRO CCC[C@H](C)CNc1ccccc1CC[NH+](C)C ZINC000782546256 585819884 /nfs/dbraw/zinc/81/98/84/585819884.db2.gz VWBGWSDWHQMPSZ-AWEZNQCLSA-N 1 0 248.414 3.639 20 0 BHADRO CCC[C@@H](C)CNc1ccccc1CC[NH+](C)C ZINC000782546257 585819993 /nfs/dbraw/zinc/81/99/93/585819993.db2.gz VWBGWSDWHQMPSZ-CQSZACIVSA-N 1 0 248.414 3.639 20 0 BHADRO c1csc(CC[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000782637264 585823838 /nfs/dbraw/zinc/82/38/38/585823838.db2.gz PBDYRRJMPJDHCG-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO C[C@@H](c1ccncc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000782637709 585823814 /nfs/dbraw/zinc/82/38/14/585823814.db2.gz UQMSJKJIFLYWLB-AWEZNQCLSA-N 1 0 244.382 3.799 20 0 BHADRO C[C@H](c1ccncc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000782637717 585823873 /nfs/dbraw/zinc/82/38/73/585823873.db2.gz UQMSJKJIFLYWLB-CQSZACIVSA-N 1 0 244.382 3.799 20 0 BHADRO c1cc(CCC[NH+]2CCCCCCC2)cs1 ZINC000782899270 585825783 /nfs/dbraw/zinc/82/57/83/585825783.db2.gz KOAKAJNOQSBANS-UHFFFAOYSA-N 1 0 237.412 3.947 20 0 BHADRO c1cc(CCC[N@@H+]2CCC3(CCCC3)C2)cs1 ZINC000782939070 585826344 /nfs/dbraw/zinc/82/63/44/585826344.db2.gz DGUZENKJFNAQGH-UHFFFAOYSA-N 1 0 249.423 3.947 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccncc1CC ZINC000783016896 585826787 /nfs/dbraw/zinc/82/67/87/585826787.db2.gz LWSORHOFUJFGGN-CYBMUJFWSA-N 1 0 234.387 3.875 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccncc1CC ZINC000783016897 585826949 /nfs/dbraw/zinc/82/69/49/585826949.db2.gz LWSORHOFUJFGGN-ZDUSSCGKSA-N 1 0 234.387 3.875 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783214976 585830844 /nfs/dbraw/zinc/83/08/44/585830844.db2.gz KMKZDZVEHJWJFW-DZGCQCFKSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783214977 585830889 /nfs/dbraw/zinc/83/08/89/585830889.db2.gz KMKZDZVEHJWJFW-HIFRSBDPSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783214978 585830898 /nfs/dbraw/zinc/83/08/98/585830898.db2.gz KMKZDZVEHJWJFW-UKRRQHHQSA-N 1 0 249.423 3.616 20 0 BHADRO Cc1ccc(CSCC[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783214979 585830906 /nfs/dbraw/zinc/83/09/06/585830906.db2.gz KMKZDZVEHJWJFW-ZFWWWQNUSA-N 1 0 249.423 3.616 20 0 BHADRO C[C@H](OCCC[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000783215326 585830879 /nfs/dbraw/zinc/83/08/79/585830879.db2.gz MVBOSRBYUHGYDK-DZKIICNBSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](OCCC[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000783215335 585830999 /nfs/dbraw/zinc/83/09/99/585830999.db2.gz MVBOSRBYUHGYDK-IJEWVQPXSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](OCCC[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000783215345 585830910 /nfs/dbraw/zinc/83/09/10/585830910.db2.gz MVBOSRBYUHGYDK-OFQRWUPVSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](OCCC[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000783215354 585830978 /nfs/dbraw/zinc/83/09/78/585830978.db2.gz MVBOSRBYUHGYDK-YCPHGPKFSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(CCC[NH2+][C@H]2CC[C@@H]2C)c(C)c1 ZINC000783216217 585830938 /nfs/dbraw/zinc/83/09/38/585830938.db2.gz QVOPQLJYKKRSAW-BBRMVZONSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CCC[NH2+][C@H]2CC[C@H]2C)c(C)c1 ZINC000783216218 585831041 /nfs/dbraw/zinc/83/10/41/585831041.db2.gz QVOPQLJYKKRSAW-CJNGLKHVSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@H]2C)c(C)c1 ZINC000783216219 585830843 /nfs/dbraw/zinc/83/08/43/585830843.db2.gz QVOPQLJYKKRSAW-CZUORRHYSA-N 1 0 231.383 3.624 20 0 BHADRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H]2C)c(C)c1 ZINC000783216220 585831023 /nfs/dbraw/zinc/83/10/23/585831023.db2.gz QVOPQLJYKKRSAW-XJKSGUPXSA-N 1 0 231.383 3.624 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000783220893 711682879 /nfs/dbraw/zinc/68/28/79/711682879.db2.gz CBGHHIWLYUWSNA-SUMWQHHRSA-N 1 0 239.362 3.770 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783222762 585831219 /nfs/dbraw/zinc/83/12/19/585831219.db2.gz FTGVBUBGVSGTHZ-BBRMVZONSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783222763 585831150 /nfs/dbraw/zinc/83/11/50/585831150.db2.gz FTGVBUBGVSGTHZ-CJNGLKHVSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783222765 585831173 /nfs/dbraw/zinc/83/11/73/585831173.db2.gz FTGVBUBGVSGTHZ-CZUORRHYSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccc(OCC[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783222766 585831125 /nfs/dbraw/zinc/83/11/25/585831125.db2.gz FTGVBUBGVSGTHZ-XJKSGUPXSA-N 1 0 247.382 3.577 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000783223097 585831311 /nfs/dbraw/zinc/83/13/11/585831311.db2.gz LYHZUWVEENYGDR-BBRMVZONSA-N 1 0 247.382 3.501 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@H]1CC[C@H]1C ZINC000783223102 585831137 /nfs/dbraw/zinc/83/11/37/585831137.db2.gz LYHZUWVEENYGDR-CJNGLKHVSA-N 1 0 247.382 3.501 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000783223104 585831232 /nfs/dbraw/zinc/83/12/32/585831232.db2.gz LYHZUWVEENYGDR-CZUORRHYSA-N 1 0 247.382 3.501 20 0 BHADRO CCCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783223106 585831157 /nfs/dbraw/zinc/83/11/57/585831157.db2.gz LYHZUWVEENYGDR-XJKSGUPXSA-N 1 0 247.382 3.501 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000783224369 585831143 /nfs/dbraw/zinc/83/11/43/585831143.db2.gz MEKQBEJNMVPOSW-DZGCQCFKSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000783224370 585831211 /nfs/dbraw/zinc/83/12/11/585831211.db2.gz MEKQBEJNMVPOSW-HIFRSBDPSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000783224371 585831166 /nfs/dbraw/zinc/83/11/66/585831166.db2.gz MEKQBEJNMVPOSW-UKRRQHHQSA-N 1 0 231.383 3.742 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000783224372 585831245 /nfs/dbraw/zinc/83/12/45/585831245.db2.gz MEKQBEJNMVPOSW-ZFWWWQNUSA-N 1 0 231.383 3.742 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@@H]2CC[C@@H]2C)c(C)c1 ZINC000783224563 585831430 /nfs/dbraw/zinc/83/14/30/585831430.db2.gz SXRJVXSTLSIQMI-BLLLJJGKSA-N 1 0 231.383 3.542 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@H]2CC[C@@H]2C)c(C)c1 ZINC000783224571 585831364 /nfs/dbraw/zinc/83/13/64/585831364.db2.gz SXRJVXSTLSIQMI-LRDDRELGSA-N 1 0 231.383 3.542 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@@H]2CC[C@H]2C)c(C)c1 ZINC000783224573 585831550 /nfs/dbraw/zinc/83/15/50/585831550.db2.gz SXRJVXSTLSIQMI-MLGOLLRUSA-N 1 0 231.383 3.542 20 0 BHADRO Cc1cc(C)c(CC[NH2+][C@H]2CC[C@H]2C)c(C)c1 ZINC000783224575 585831370 /nfs/dbraw/zinc/83/13/70/585831370.db2.gz SXRJVXSTLSIQMI-WBMJQRKESA-N 1 0 231.383 3.542 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783224839 582949481 /nfs/dbraw/zinc/94/94/81/582949481.db2.gz SOUIEZKDIWUXLD-BBRMVZONSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783224854 582949477 /nfs/dbraw/zinc/94/94/77/582949477.db2.gz SOUIEZKDIWUXLD-CJNGLKHVSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783224876 582949382 /nfs/dbraw/zinc/94/93/82/582949382.db2.gz SOUIEZKDIWUXLD-CZUORRHYSA-N 1 0 247.382 3.754 20 0 BHADRO CCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783224890 582949406 /nfs/dbraw/zinc/94/94/06/582949406.db2.gz SOUIEZKDIWUXLD-XJKSGUPXSA-N 1 0 247.382 3.754 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@H]3CC[C@H]3C)cc2c1C ZINC000783225207 585831361 /nfs/dbraw/zinc/83/13/61/585831361.db2.gz PXCCNLOCNCYDCR-BMIGLBTASA-N 1 0 242.366 3.673 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@H]3CC[C@@H]3C)cc2c1C ZINC000783225208 585831521 /nfs/dbraw/zinc/83/15/21/585831521.db2.gz PXCCNLOCNCYDCR-BONVTDFDSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[C@H]3C)cc2c1C ZINC000783225209 585831475 /nfs/dbraw/zinc/83/14/75/585831475.db2.gz PXCCNLOCNCYDCR-MEBBXXQBSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[C@@H]3C)cc2c1C ZINC000783225210 585831346 /nfs/dbraw/zinc/83/13/46/585831346.db2.gz PXCCNLOCNCYDCR-ZUZCIYMTSA-N 1 0 242.366 3.673 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783225838 585831429 /nfs/dbraw/zinc/83/14/29/585831429.db2.gz WPWAZNBRADILJH-GDBMZVCRSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783225839 585831494 /nfs/dbraw/zinc/83/14/94/585831494.db2.gz WPWAZNBRADILJH-GOEBONIOSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783225840 585831536 /nfs/dbraw/zinc/83/15/36/585831536.db2.gz WPWAZNBRADILJH-HOCLYGCPSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccc(OCCCC[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783225841 585831378 /nfs/dbraw/zinc/83/13/78/585831378.db2.gz WPWAZNBRADILJH-ZBFHGGJFSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[C@H]1C ZINC000783228437 585831336 /nfs/dbraw/zinc/83/13/36/585831336.db2.gz YSTDBJNCSDKTLS-NOZJJQNGSA-N 1 0 247.313 3.768 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[C@H]1C ZINC000783228438 585831458 /nfs/dbraw/zinc/83/14/58/585831458.db2.gz YSTDBJNCSDKTLS-RNCFNFMXSA-N 1 0 247.313 3.768 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783228439 585831446 /nfs/dbraw/zinc/83/14/46/585831446.db2.gz YSTDBJNCSDKTLS-TVQRCGJNSA-N 1 0 247.313 3.768 20 0 BHADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[C@@H]1C ZINC000783228440 585831428 /nfs/dbraw/zinc/83/14/28/585831428.db2.gz YSTDBJNCSDKTLS-ZANVPECISA-N 1 0 247.313 3.768 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000783228585 582950481 /nfs/dbraw/zinc/95/04/81/582950481.db2.gz AACJLFQCWAVEOM-BXUZGUMPSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000783228590 582950471 /nfs/dbraw/zinc/95/04/71/582950471.db2.gz AACJLFQCWAVEOM-FZMZJTMJSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000783228593 582950978 /nfs/dbraw/zinc/95/09/78/582950978.db2.gz AACJLFQCWAVEOM-RISCZKNCSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000783228601 582950966 /nfs/dbraw/zinc/95/09/66/582950966.db2.gz AACJLFQCWAVEOM-SMDDNHRTSA-N 1 0 245.391 3.832 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783229285 644751098 /nfs/dbraw/zinc/75/10/98/644751098.db2.gz DODUYUWGNCPKDF-DZGCQCFKSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783229286 644750867 /nfs/dbraw/zinc/75/08/67/644750867.db2.gz DODUYUWGNCPKDF-HIFRSBDPSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783229287 644750436 /nfs/dbraw/zinc/75/04/36/644750436.db2.gz DODUYUWGNCPKDF-UKRRQHHQSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783229288 644751319 /nfs/dbraw/zinc/75/13/19/644751319.db2.gz DODUYUWGNCPKDF-ZFWWWQNUSA-N 1 0 231.383 3.661 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783230918 644750513 /nfs/dbraw/zinc/75/05/13/644750513.db2.gz NWEDWXPDZCNFTG-HUBLWGQQSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783230920 644750445 /nfs/dbraw/zinc/75/04/45/644750445.db2.gz NWEDWXPDZCNFTG-SLEUVZQESA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783230923 644750810 /nfs/dbraw/zinc/75/08/10/644750810.db2.gz NWEDWXPDZCNFTG-TYNCELHUSA-N 1 0 233.355 3.534 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783230926 582950712 /nfs/dbraw/zinc/95/07/12/582950712.db2.gz NWEDWXPDZCNFTG-XUJVJEKNSA-N 1 0 233.355 3.534 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000783233114 644752841 /nfs/dbraw/zinc/75/28/41/644752841.db2.gz YWYIQZYDYAAVPQ-CXAGYDPISA-N 1 0 239.362 3.770 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000783233115 644751667 /nfs/dbraw/zinc/75/16/67/644751667.db2.gz YWYIQZYDYAAVPQ-DYVFJYSZSA-N 1 0 239.362 3.770 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000783233116 644752095 /nfs/dbraw/zinc/75/20/95/644752095.db2.gz YWYIQZYDYAAVPQ-GUYCJALGSA-N 1 0 239.362 3.770 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000783233117 644753123 /nfs/dbraw/zinc/75/31/23/644753123.db2.gz YWYIQZYDYAAVPQ-SUMWQHHRSA-N 1 0 239.362 3.770 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783234261 644752240 /nfs/dbraw/zinc/75/22/40/644752240.db2.gz SIUVNUCWNQLANH-DZGCQCFKSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783234741 644751970 /nfs/dbraw/zinc/75/19/70/644751970.db2.gz SIUVNUCWNQLANH-HIFRSBDPSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783234742 644752484 /nfs/dbraw/zinc/75/24/84/644752484.db2.gz SIUVNUCWNQLANH-UKRRQHHQSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783234743 644752863 /nfs/dbraw/zinc/75/28/63/644752863.db2.gz SIUVNUCWNQLANH-ZFWWWQNUSA-N 1 0 231.383 3.661 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000783235194 585831740 /nfs/dbraw/zinc/83/17/40/585831740.db2.gz XBOUFRNTVYODAE-BXUZGUMPSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000783235195 585831580 /nfs/dbraw/zinc/83/15/80/585831580.db2.gz XBOUFRNTVYODAE-FZMZJTMJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000783235196 585831649 /nfs/dbraw/zinc/83/16/49/585831649.db2.gz XBOUFRNTVYODAE-RISCZKNCSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000783235197 585831604 /nfs/dbraw/zinc/83/16/04/585831604.db2.gz XBOUFRNTVYODAE-SMDDNHRTSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000783235305 585831727 /nfs/dbraw/zinc/83/17/27/585831727.db2.gz YNMPQKQHCMQZIN-GDBMZVCRSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000783235307 585831653 /nfs/dbraw/zinc/83/16/53/585831653.db2.gz YNMPQKQHCMQZIN-GOEBONIOSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000783235309 585831748 /nfs/dbraw/zinc/83/17/48/585831748.db2.gz YNMPQKQHCMQZIN-HOCLYGCPSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000783235310 585831699 /nfs/dbraw/zinc/83/16/99/585831699.db2.gz YNMPQKQHCMQZIN-ZBFHGGJFSA-N 1 0 231.383 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000783235774 582951988 /nfs/dbraw/zinc/95/19/88/582951988.db2.gz CFEJAGAGUKPINN-DOMZBBRYSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000783235775 582951910 /nfs/dbraw/zinc/95/19/10/582951910.db2.gz CFEJAGAGUKPINN-IUODEOHRSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000783235776 582952002 /nfs/dbraw/zinc/95/20/02/582952002.db2.gz CFEJAGAGUKPINN-SWLSCSKDSA-N 1 0 247.357 3.636 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000783235777 582951852 /nfs/dbraw/zinc/95/18/52/582951852.db2.gz CFEJAGAGUKPINN-WFASDCNBSA-N 1 0 247.357 3.636 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CC1 ZINC000783237563 585831607 /nfs/dbraw/zinc/83/16/07/585831607.db2.gz CGZOKSJSKMSCDK-APHBMKBZSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CC1 ZINC000783237566 585831671 /nfs/dbraw/zinc/83/16/71/585831671.db2.gz CGZOKSJSKMSCDK-DAXOMENPSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@H]1CC[C@H]1C)C1CC1 ZINC000783237570 585831756 /nfs/dbraw/zinc/83/17/56/585831756.db2.gz CGZOKSJSKMSCDK-UHOFOFEASA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CC1 ZINC000783237574 585831692 /nfs/dbraw/zinc/83/16/92/585831692.db2.gz CGZOKSJSKMSCDK-VBNZEHGJSA-N 1 0 229.367 3.834 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C ZINC000783238180 585831678 /nfs/dbraw/zinc/83/16/78/585831678.db2.gz RSZJNTPDRNGZSS-DZGCQCFKSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[C@H]1C ZINC000783238182 585831635 /nfs/dbraw/zinc/83/16/35/585831635.db2.gz RSZJNTPDRNGZSS-HIFRSBDPSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[C@H]1C ZINC000783238183 585831605 /nfs/dbraw/zinc/83/16/05/585831605.db2.gz RSZJNTPDRNGZSS-UKRRQHHQSA-N 1 0 231.383 3.661 20 0 BHADRO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[C@@H]1C ZINC000783238184 585831715 /nfs/dbraw/zinc/83/17/15/585831715.db2.gz RSZJNTPDRNGZSS-ZFWWWQNUSA-N 1 0 231.383 3.661 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C ZINC000783238894 585831668 /nfs/dbraw/zinc/83/16/68/585831668.db2.gz UTGVVXWNZXSKMW-AEGPPILISA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[C@@H]1C ZINC000783238895 585831779 /nfs/dbraw/zinc/83/17/79/585831779.db2.gz UTGVVXWNZXSKMW-QEJZJMRPSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[C@H]1C ZINC000783238896 585831708 /nfs/dbraw/zinc/83/17/08/585831708.db2.gz UTGVVXWNZXSKMW-SNPRPXQTSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@H]1C ZINC000783238897 585831664 /nfs/dbraw/zinc/83/16/64/585831664.db2.gz UTGVVXWNZXSKMW-VHDGCEQUSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C)Nc1ccccc1 ZINC000783239645 585831810 /nfs/dbraw/zinc/83/18/10/585831810.db2.gz LTVWGFNYNFIPMC-BMFZPTHFSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]1C)Nc1ccccc1 ZINC000783239647 582951675 /nfs/dbraw/zinc/95/16/75/582951675.db2.gz LTVWGFNYNFIPMC-BPUTZDHNSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)Nc1ccccc1 ZINC000783239648 582951944 /nfs/dbraw/zinc/95/19/44/582951944.db2.gz LTVWGFNYNFIPMC-IMJJTQAJSA-N 1 0 246.398 3.511 20 0 BHADRO CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C)Nc1ccccc1 ZINC000783239653 582951762 /nfs/dbraw/zinc/95/17/62/582951762.db2.gz LTVWGFNYNFIPMC-KBMXLJTQSA-N 1 0 246.398 3.511 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000783241745 585831959 /nfs/dbraw/zinc/83/19/59/585831959.db2.gz XGCJERNCVFAKFL-GXTWGEPZSA-N 1 0 247.407 3.699 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000783241746 585831876 /nfs/dbraw/zinc/83/18/76/585831876.db2.gz XGCJERNCVFAKFL-JSGCOSHPSA-N 1 0 247.407 3.699 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000783241747 585831861 /nfs/dbraw/zinc/83/18/61/585831861.db2.gz XGCJERNCVFAKFL-OCCSQVGLSA-N 1 0 247.407 3.699 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000783241748 585831931 /nfs/dbraw/zinc/83/19/31/585831931.db2.gz XGCJERNCVFAKFL-TZMCWYRMSA-N 1 0 247.407 3.699 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(C)c1 ZINC000783241881 585831980 /nfs/dbraw/zinc/83/19/80/585831980.db2.gz XWFRGXCTJORREV-DUVNUKRYSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H]2C)c(C)c1 ZINC000783241883 585831961 /nfs/dbraw/zinc/83/19/61/585831961.db2.gz XWFRGXCTJORREV-INWMFGNUSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(C)c1 ZINC000783241885 585831891 /nfs/dbraw/zinc/83/18/91/585831891.db2.gz XWFRGXCTJORREV-IVMMDQJWSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(C)c1 ZINC000783241887 585831890 /nfs/dbraw/zinc/83/18/90/585831890.db2.gz XWFRGXCTJORREV-NOLJZWGESA-N 1 0 231.383 3.623 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783244744 585831889 /nfs/dbraw/zinc/83/18/89/585831889.db2.gz VFMGICDILIPTHS-DVOMOZLQSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783244745 582953108 /nfs/dbraw/zinc/95/31/08/582953108.db2.gz VFMGICDILIPTHS-IOASZLSFSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783244746 582953195 /nfs/dbraw/zinc/95/31/95/582953195.db2.gz VFMGICDILIPTHS-WWGRRREGSA-N 1 0 247.382 3.577 20 0 BHADRO COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783244747 582953221 /nfs/dbraw/zinc/95/32/21/582953221.db2.gz VFMGICDILIPTHS-XJKCOSOUSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000783245160 585832162 /nfs/dbraw/zinc/83/21/62/585832162.db2.gz XRYOKSBEJUGURV-BXUZGUMPSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000783245161 585832234 /nfs/dbraw/zinc/83/22/34/585832234.db2.gz XRYOKSBEJUGURV-FZMZJTMJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000783245162 585832215 /nfs/dbraw/zinc/83/22/15/585832215.db2.gz XRYOKSBEJUGURV-RISCZKNCSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000783245163 585832157 /nfs/dbraw/zinc/83/21/57/585832157.db2.gz XRYOKSBEJUGURV-SMDDNHRTSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000783246011 585832172 /nfs/dbraw/zinc/83/21/72/585832172.db2.gz XLEBOMZEZLNMJZ-DOMZBBRYSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000783246012 585832091 /nfs/dbraw/zinc/83/20/91/585832091.db2.gz XLEBOMZEZLNMJZ-IUODEOHRSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000783246013 585832032 /nfs/dbraw/zinc/83/20/32/585832032.db2.gz XLEBOMZEZLNMJZ-SWLSCSKDSA-N 1 0 247.357 3.537 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000783246014 585832203 /nfs/dbraw/zinc/83/22/03/585832203.db2.gz XLEBOMZEZLNMJZ-WFASDCNBSA-N 1 0 247.357 3.537 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@H]1CC[C@@H]1C ZINC000783246910 585832252 /nfs/dbraw/zinc/83/22/52/585832252.db2.gz UGSBBYOROMMJOQ-GWCFXTLKSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783246911 585832055 /nfs/dbraw/zinc/83/20/55/585832055.db2.gz UGSBBYOROMMJOQ-GXFFZTMASA-N 1 0 229.323 3.629 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@H]1CC[C@H]1C ZINC000783246912 585832123 /nfs/dbraw/zinc/83/21/23/585832123.db2.gz UGSBBYOROMMJOQ-MFKMUULPSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]1C ZINC000783246913 585832159 /nfs/dbraw/zinc/83/21/59/585832159.db2.gz UGSBBYOROMMJOQ-ZWNOBZJWSA-N 1 0 229.323 3.629 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[C@@H]1C ZINC000783249309 585832054 /nfs/dbraw/zinc/83/20/54/585832054.db2.gz CDCGGZGUGLXIHU-DZGCQCFKSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@H]1CC[C@H]1C ZINC000783249313 585832027 /nfs/dbraw/zinc/83/20/27/585832027.db2.gz CDCGGZGUGLXIHU-HIFRSBDPSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[C@H]1C ZINC000783249315 585832138 /nfs/dbraw/zinc/83/21/38/585832138.db2.gz CDCGGZGUGLXIHU-UKRRQHHQSA-N 1 0 247.382 3.577 20 0 BHADRO CC(C)c1ccccc1OCC[NH2+][C@H]1CC[C@@H]1C ZINC000783249319 585832147 /nfs/dbraw/zinc/83/21/47/585832147.db2.gz CDCGGZGUGLXIHU-ZFWWWQNUSA-N 1 0 247.382 3.577 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000783252602 585832381 /nfs/dbraw/zinc/83/23/81/585832381.db2.gz SXRIVHHNOGSHHW-DOMZBBRYSA-N 1 0 245.366 3.506 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000783252603 585832270 /nfs/dbraw/zinc/83/22/70/585832270.db2.gz SXRIVHHNOGSHHW-IUODEOHRSA-N 1 0 245.366 3.506 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000783252604 585832293 /nfs/dbraw/zinc/83/22/93/585832293.db2.gz SXRIVHHNOGSHHW-SWLSCSKDSA-N 1 0 245.366 3.506 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000783252605 585832272 /nfs/dbraw/zinc/83/22/72/585832272.db2.gz SXRIVHHNOGSHHW-WFASDCNBSA-N 1 0 245.366 3.506 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000783253244 585832284 /nfs/dbraw/zinc/83/22/84/585832284.db2.gz ZZQNYFNOJJWSMR-DZGCQCFKSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000783253245 585832254 /nfs/dbraw/zinc/83/22/54/585832254.db2.gz ZZQNYFNOJJWSMR-HIFRSBDPSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000783253246 582953627 /nfs/dbraw/zinc/95/36/27/582953627.db2.gz ZZQNYFNOJJWSMR-UKRRQHHQSA-N 1 0 231.383 3.643 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000783253247 582953890 /nfs/dbraw/zinc/95/38/90/582953890.db2.gz ZZQNYFNOJJWSMR-ZFWWWQNUSA-N 1 0 231.383 3.643 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1C)Oc1ccccc1C ZINC000783254361 585832406 /nfs/dbraw/zinc/83/24/06/585832406.db2.gz OKWJUVYKEHTMKJ-BPLDGKMQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1C)Oc1ccccc1C ZINC000783254362 585832376 /nfs/dbraw/zinc/83/23/76/585832376.db2.gz OKWJUVYKEHTMKJ-CFVMTHIKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)Oc1ccccc1C ZINC000783254363 585832348 /nfs/dbraw/zinc/83/23/48/585832348.db2.gz OKWJUVYKEHTMKJ-NWANDNLSSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1C)Oc1ccccc1C ZINC000783254364 585832330 /nfs/dbraw/zinc/83/23/30/585832330.db2.gz OKWJUVYKEHTMKJ-YUELXQCFSA-N 1 0 247.382 3.541 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000783255203 585832281 /nfs/dbraw/zinc/83/22/81/585832281.db2.gz RIRKBEXLNGWACZ-GDBMZVCRSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000783255208 585832267 /nfs/dbraw/zinc/83/22/67/585832267.db2.gz RIRKBEXLNGWACZ-GOEBONIOSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000783255209 585832315 /nfs/dbraw/zinc/83/23/15/585832315.db2.gz RIRKBEXLNGWACZ-HOCLYGCPSA-N 1 0 243.394 3.788 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000783255210 585832440 /nfs/dbraw/zinc/83/24/40/585832440.db2.gz RIRKBEXLNGWACZ-ZBFHGGJFSA-N 1 0 243.394 3.788 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783255894 585832431 /nfs/dbraw/zinc/83/24/31/585832431.db2.gz UIQBCZWBFVIPMV-DZKIICNBSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783255895 585832399 /nfs/dbraw/zinc/83/23/99/585832399.db2.gz UIQBCZWBFVIPMV-IJEWVQPXSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783255896 585832259 /nfs/dbraw/zinc/83/22/59/585832259.db2.gz UIQBCZWBFVIPMV-OFQRWUPVSA-N 1 0 231.383 3.623 20 0 BHADRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783255897 585832416 /nfs/dbraw/zinc/83/24/16/585832416.db2.gz UIQBCZWBFVIPMV-YCPHGPKFSA-N 1 0 231.383 3.623 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@H]1C)Oc1cccc(C)c1 ZINC000783256752 585832301 /nfs/dbraw/zinc/83/23/01/585832301.db2.gz WLPBHCAOCFYOST-FMKPAKJESA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@H]1C)Oc1cccc(C)c1 ZINC000783256754 585832470 /nfs/dbraw/zinc/83/24/70/585832470.db2.gz WLPBHCAOCFYOST-IIAWOOMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@H]1CC[C@@H]1C)Oc1cccc(C)c1 ZINC000783256757 585832479 /nfs/dbraw/zinc/83/24/79/585832479.db2.gz WLPBHCAOCFYOST-LZWOXQAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)Oc1cccc(C)c1 ZINC000783256760 585832449 /nfs/dbraw/zinc/83/24/49/585832449.db2.gz WLPBHCAOCFYOST-SQWLQELKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258897 585832589 /nfs/dbraw/zinc/83/25/89/585832589.db2.gz PHVODTWPKZZOOS-BXUZGUMPSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258898 585832583 /nfs/dbraw/zinc/83/25/83/585832583.db2.gz PHVODTWPKZZOOS-FZMZJTMJSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258899 585832528 /nfs/dbraw/zinc/83/25/28/585832528.db2.gz PHVODTWPKZZOOS-RISCZKNCSA-N 1 0 246.329 3.956 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258900 585832520 /nfs/dbraw/zinc/83/25/20/585832520.db2.gz PHVODTWPKZZOOS-SMDDNHRTSA-N 1 0 246.329 3.956 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000783259612 585832614 /nfs/dbraw/zinc/83/26/14/585832614.db2.gz GPRBSIARUCDPQV-BXUZGUMPSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000783259614 585832635 /nfs/dbraw/zinc/83/26/35/585832635.db2.gz GPRBSIARUCDPQV-FZMZJTMJSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000783259615 585832592 /nfs/dbraw/zinc/83/25/92/585832592.db2.gz GPRBSIARUCDPQV-RISCZKNCSA-N 1 0 249.785 3.760 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000783259617 585832620 /nfs/dbraw/zinc/83/26/20/585832620.db2.gz GPRBSIARUCDPQV-SMDDNHRTSA-N 1 0 249.785 3.760 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[C@@H]1C ZINC000783263247 585832642 /nfs/dbraw/zinc/83/26/42/585832642.db2.gz ITFIWTGJBZHTNB-GUTXKFCHSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000783263665 585832539 /nfs/dbraw/zinc/83/25/39/585832539.db2.gz ITFIWTGJBZHTNB-GZBFAFLISA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[C@H]1C ZINC000783263666 585832657 /nfs/dbraw/zinc/83/26/57/585832657.db2.gz ITFIWTGJBZHTNB-NFAWXSAZSA-N 1 0 249.423 3.945 20 0 BHADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@H]1C ZINC000783263667 585832713 /nfs/dbraw/zinc/83/27/13/585832713.db2.gz ITFIWTGJBZHTNB-UMVBOHGHSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000783268841 585832881 /nfs/dbraw/zinc/83/28/81/585832881.db2.gz GXXMKNUFPDNLKJ-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000783268843 585832773 /nfs/dbraw/zinc/83/27/73/585832773.db2.gz GXXMKNUFPDNLKJ-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000783268846 585832800 /nfs/dbraw/zinc/83/28/00/585832800.db2.gz GXXMKNUFPDNLKJ-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000783268849 585832815 /nfs/dbraw/zinc/83/28/15/585832815.db2.gz GXXMKNUFPDNLKJ-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000783269138 585832824 /nfs/dbraw/zinc/83/28/24/585832824.db2.gz ITRCSWSQCGWSFC-DOMZBBRYSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000783269139 585832748 /nfs/dbraw/zinc/83/27/48/585832748.db2.gz ITRCSWSQCGWSFC-IUODEOHRSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000783269141 585832919 /nfs/dbraw/zinc/83/29/19/585832919.db2.gz ITRCSWSQCGWSFC-SWLSCSKDSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000783269142 585832840 /nfs/dbraw/zinc/83/28/40/585832840.db2.gz ITRCSWSQCGWSFC-WFASDCNBSA-N 1 0 247.382 3.752 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@]1(C)CCCc2ccccc21 ZINC000783269424 585832795 /nfs/dbraw/zinc/83/27/95/585832795.db2.gz LJVAZZROHWKBIN-DAXOMENPSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000783269427 585832932 /nfs/dbraw/zinc/83/29/32/585832932.db2.gz LJVAZZROHWKBIN-KCXAZCMYSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@]1(C)CCCc2ccccc21 ZINC000783269429 582954270 /nfs/dbraw/zinc/95/42/70/582954270.db2.gz LJVAZZROHWKBIN-UHOFOFEASA-N 1 0 229.367 3.626 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000783269432 582954812 /nfs/dbraw/zinc/95/48/12/582954812.db2.gz LJVAZZROHWKBIN-WQVCFCJDSA-N 1 0 229.367 3.626 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000783277226 644752306 /nfs/dbraw/zinc/75/23/06/644752306.db2.gz SHKRXYFFNBCZLG-DZGCQCFKSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000783277228 582955144 /nfs/dbraw/zinc/95/51/44/582955144.db2.gz SHKRXYFFNBCZLG-HIFRSBDPSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000783277231 582955023 /nfs/dbraw/zinc/95/50/23/582955023.db2.gz SHKRXYFFNBCZLG-UKRRQHHQSA-N 1 0 229.367 3.540 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000783277235 582955179 /nfs/dbraw/zinc/95/51/79/582955179.db2.gz SHKRXYFFNBCZLG-ZFWWWQNUSA-N 1 0 229.367 3.540 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[C@H]1C ZINC000783293010 582956084 /nfs/dbraw/zinc/95/60/84/582956084.db2.gz DLVPRXRJHNRWNQ-ABAIWWIYSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[C@H]1C ZINC000783293013 582956026 /nfs/dbraw/zinc/95/60/26/582956026.db2.gz DLVPRXRJHNRWNQ-IAQYHMDHSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[C@@H]1C ZINC000783293015 582955974 /nfs/dbraw/zinc/95/59/74/582955974.db2.gz DLVPRXRJHNRWNQ-NHYWBVRUSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[C@@H]1C ZINC000783293021 582956077 /nfs/dbraw/zinc/95/60/77/582956077.db2.gz DLVPRXRJHNRWNQ-XHDPSFHLSA-N 1 0 243.350 3.672 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000783293544 585833475 /nfs/dbraw/zinc/83/34/75/585833475.db2.gz HFZBBRGTBYSREP-IPYPFGDCSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000783293545 585833348 /nfs/dbraw/zinc/83/33/48/585833348.db2.gz HFZBBRGTBYSREP-KCQAQPDRSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000783293546 585833249 /nfs/dbraw/zinc/83/32/49/585833249.db2.gz HFZBBRGTBYSREP-VNHYZAJKSA-N 1 0 249.423 3.864 20 0 BHADRO Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000783293547 585833493 /nfs/dbraw/zinc/83/34/93/585833493.db2.gz HFZBBRGTBYSREP-YDHLFZDLSA-N 1 0 249.423 3.864 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc2ncsc2c1 ZINC000783294291 585833478 /nfs/dbraw/zinc/83/34/78/585833478.db2.gz JRGMTDFQNDEEJZ-JBLDHEPKSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc2ncsc2c1 ZINC000783294292 585833469 /nfs/dbraw/zinc/83/34/69/585833469.db2.gz JRGMTDFQNDEEJZ-JFGNBEQYSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc2ncsc2c1 ZINC000783294293 585833287 /nfs/dbraw/zinc/83/32/87/585833287.db2.gz JRGMTDFQNDEEJZ-NHCYSSNCSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc2ncsc2c1 ZINC000783294294 582955765 /nfs/dbraw/zinc/95/57/65/582955765.db2.gz JRGMTDFQNDEEJZ-SCVCMEIPSA-N 1 0 246.379 3.745 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@H]1CCC=CO1 ZINC000783302144 585833211 /nfs/dbraw/zinc/83/32/11/585833211.db2.gz CLKXNABCEJJSPJ-DZGCQCFKSA-N 1 0 237.387 3.628 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@@H]1CCC=CO1 ZINC000783302145 585833314 /nfs/dbraw/zinc/83/33/14/585833314.db2.gz CLKXNABCEJJSPJ-HIFRSBDPSA-N 1 0 237.387 3.628 20 0 BHADRO C[C@H](CCC1CCCC1)[NH2+]C[C@H]1CCC=CO1 ZINC000783302146 585833438 /nfs/dbraw/zinc/83/34/38/585833438.db2.gz CLKXNABCEJJSPJ-UKRRQHHQSA-N 1 0 237.387 3.628 20 0 BHADRO C[C@@H](CCC1CCCC1)[NH2+]C[C@@H]1CCC=CO1 ZINC000783302147 585833363 /nfs/dbraw/zinc/83/33/63/585833363.db2.gz CLKXNABCEJJSPJ-ZFWWWQNUSA-N 1 0 237.387 3.628 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c(C)n1 ZINC000783306297 585833680 /nfs/dbraw/zinc/83/36/80/585833680.db2.gz GLCRANUFCDXJJH-BPNCWPANSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c(C)n1 ZINC000783306298 585833755 /nfs/dbraw/zinc/83/37/55/585833755.db2.gz GLCRANUFCDXJJH-DDTOSNHZSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c(C)n1 ZINC000783306300 585833609 /nfs/dbraw/zinc/83/36/09/585833609.db2.gz GLCRANUFCDXJJH-LEWSCRJBSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c(C)n1 ZINC000783306302 585833595 /nfs/dbraw/zinc/83/35/95/585833595.db2.gz GLCRANUFCDXJJH-SWHYSGLUSA-N 1 0 232.371 3.538 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000783306420 585833786 /nfs/dbraw/zinc/83/37/86/585833786.db2.gz XCLUYWSQUUBMLV-SHARSMKWSA-N 1 0 237.387 3.628 20 0 BHADRO CCC1(C)CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000783306421 585833508 /nfs/dbraw/zinc/83/35/08/585833508.db2.gz XCLUYWSQUUBMLV-SLTAFYQDSA-N 1 0 237.387 3.628 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000783307590 585833558 /nfs/dbraw/zinc/83/35/58/585833558.db2.gz OMTQDGDQYKDBMC-KKUMJFAQSA-N 1 0 239.403 3.730 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000783307591 585833667 /nfs/dbraw/zinc/83/36/67/585833667.db2.gz OMTQDGDQYKDBMC-RRFJBIMHSA-N 1 0 239.403 3.730 20 0 BHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000783307592 585833672 /nfs/dbraw/zinc/83/36/72/585833672.db2.gz OMTQDGDQYKDBMC-SOUVJXGZSA-N 1 0 239.403 3.730 20 0 BHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000783307593 585833650 /nfs/dbraw/zinc/83/36/50/585833650.db2.gz OMTQDGDQYKDBMC-ZNMIVQPWSA-N 1 0 239.403 3.730 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000783311715 585833707 /nfs/dbraw/zinc/83/37/07/585833707.db2.gz XGKQZCHMMRHLDQ-ILXRZTDVSA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000783311716 585833594 /nfs/dbraw/zinc/83/35/94/585833594.db2.gz XGKQZCHMMRHLDQ-KFWWJZLASA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000783311717 585833575 /nfs/dbraw/zinc/83/35/75/585833575.db2.gz XGKQZCHMMRHLDQ-QLFBSQMISA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000783311718 585833557 /nfs/dbraw/zinc/83/35/57/585833557.db2.gz XGKQZCHMMRHLDQ-RBSFLKMASA-N 1 0 237.387 3.628 20 0 BHADRO COC[C@H]([NH2+]Cc1ccccc1C(C)C)C(C)C ZINC000783315323 585833711 /nfs/dbraw/zinc/83/37/11/585833711.db2.gz DNITXFHGPVYQEF-INIZCTEOSA-N 1 0 249.398 3.571 20 0 BHADRO COC[C@@H]([NH2+]Cc1ccccc1C(C)C)C(C)C ZINC000783315324 585833631 /nfs/dbraw/zinc/83/36/31/585833631.db2.gz DNITXFHGPVYQEF-MRXNPFEDSA-N 1 0 249.398 3.571 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000783317584 585833734 /nfs/dbraw/zinc/83/37/34/585833734.db2.gz WSZGVBMRAOPONV-AWEZNQCLSA-N 1 0 249.423 3.795 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000783317585 585833708 /nfs/dbraw/zinc/83/37/08/585833708.db2.gz WSZGVBMRAOPONV-CQSZACIVSA-N 1 0 249.423 3.795 20 0 BHADRO C[C@H](Cc1ccsc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000783471535 585835492 /nfs/dbraw/zinc/83/54/92/585835492.db2.gz OQRXXYYEINUQIR-CYBMUJFWSA-N 1 0 249.423 3.945 20 0 BHADRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000783471767 585835545 /nfs/dbraw/zinc/83/55/45/585835545.db2.gz OQRXXYYEINUQIR-ZDUSSCGKSA-N 1 0 249.423 3.945 20 0 BHADRO CC[NH+](CC)CCSCCSC(C)(C)C ZINC000783550721 585836566 /nfs/dbraw/zinc/83/65/66/585836566.db2.gz CJSUZYANVAIICI-UHFFFAOYSA-N 1 0 249.489 3.593 20 0 BHADRO CCSCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000783557747 585836699 /nfs/dbraw/zinc/83/66/99/585836699.db2.gz IYNJEYVWWLHAQC-HNNXBMFYSA-N 1 0 249.423 3.715 20 0 BHADRO CCSCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000783557748 585836535 /nfs/dbraw/zinc/83/65/35/585836535.db2.gz IYNJEYVWWLHAQC-OAHLLOKOSA-N 1 0 249.423 3.715 20 0 BHADRO C[C@H](CCc1cccc(F)c1)[NH2+]CCC1CCC1 ZINC000783575463 585837324 /nfs/dbraw/zinc/83/73/24/585837324.db2.gz IEUSUEZAXODVRJ-CYBMUJFWSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCC1CCC1 ZINC000783575484 585837224 /nfs/dbraw/zinc/83/72/24/585837224.db2.gz IEUSUEZAXODVRJ-ZDUSSCGKSA-N 1 0 249.373 3.927 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000783578387 585837241 /nfs/dbraw/zinc/83/72/41/585837241.db2.gz NSOURGGZJMQSOB-AMAMARKHSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC(c2ccccc2)C1 ZINC000783578389 585837253 /nfs/dbraw/zinc/83/72/53/585837253.db2.gz NSOURGGZJMQSOB-KCNJBTMXSA-N 1 0 243.394 3.957 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]C1CC(c2ccccc2)C1 ZINC000783578390 585837287 /nfs/dbraw/zinc/83/72/87/585837287.db2.gz NSOURGGZJMQSOB-VRLRAXNCSA-N 1 0 243.394 3.957 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cccc(F)n1 ZINC000783578494 585837319 /nfs/dbraw/zinc/83/73/19/585837319.db2.gz RAGXYTLYIDCRBR-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000783635565 585839059 /nfs/dbraw/zinc/83/90/59/585839059.db2.gz WKHKLDDZWSEXCZ-HNNXBMFYSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000783635566 585839231 /nfs/dbraw/zinc/83/92/31/585839231.db2.gz WKHKLDDZWSEXCZ-OAHLLOKOSA-N 1 0 234.387 3.805 20 0 BHADRO CC(C)(C)OC1CC([NH+]2CCCCCCC2)C1 ZINC000783646662 585839432 /nfs/dbraw/zinc/83/94/32/585839432.db2.gz ILAFYWDIGDBSQH-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000783648902 585839440 /nfs/dbraw/zinc/83/94/40/585839440.db2.gz BMXIWTATLCHIGP-NEPJUHHUSA-N 1 0 246.329 3.608 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000783648911 585839504 /nfs/dbraw/zinc/83/95/04/585839504.db2.gz BMXIWTATLCHIGP-NWDGAFQWSA-N 1 0 246.329 3.608 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000783648913 585839290 /nfs/dbraw/zinc/83/92/90/585839290.db2.gz BMXIWTATLCHIGP-RYUDHWBXSA-N 1 0 246.329 3.608 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000783648914 585839323 /nfs/dbraw/zinc/83/93/23/585839323.db2.gz BMXIWTATLCHIGP-VXGBXAGGSA-N 1 0 246.329 3.608 20 0 BHADRO c1ccc(OCCCC[NH2+]CCC2CCC2)cc1 ZINC000783649355 585839456 /nfs/dbraw/zinc/83/94/56/585839456.db2.gz BRWTYWMSUYMIPM-UHFFFAOYSA-N 1 0 247.382 3.625 20 0 BHADRO CC[C@@H](C)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000783651836 585839300 /nfs/dbraw/zinc/83/93/00/585839300.db2.gz OOCUKDKVFUBEFY-GFCCVEGCSA-N 1 0 235.346 3.804 20 0 BHADRO CC[C@H](C)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000783651839 585839435 /nfs/dbraw/zinc/83/94/35/585839435.db2.gz OOCUKDKVFUBEFY-LBPRGKRZSA-N 1 0 235.346 3.804 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000783652764 585839335 /nfs/dbraw/zinc/83/93/35/585839335.db2.gz RUZXOBZQHOXFFM-GDBMZVCRSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000783652765 585839533 /nfs/dbraw/zinc/83/95/33/585839533.db2.gz RUZXOBZQHOXFFM-GOEBONIOSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000783652766 585839387 /nfs/dbraw/zinc/83/93/87/585839387.db2.gz RUZXOBZQHOXFFM-HOCLYGCPSA-N 1 0 249.398 3.524 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000783652767 585839351 /nfs/dbraw/zinc/83/93/51/585839351.db2.gz RUZXOBZQHOXFFM-ZBFHGGJFSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](C[NH2+]C12CCC(CC1)C2)c1ccc(F)cc1 ZINC000783667481 644759393 /nfs/dbraw/zinc/75/93/93/644759393.db2.gz QSGFNEGYCUHFAD-FUJMWEONSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+]C12CCC(CC1)C2)c1ccc(F)cc1 ZINC000783667482 644759492 /nfs/dbraw/zinc/75/94/92/644759492.db2.gz QSGFNEGYCUHFAD-VEAWUBTESA-N 1 0 247.357 3.852 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000783739554 585841419 /nfs/dbraw/zinc/84/14/19/585841419.db2.gz JTEDZRAZHGNLBP-DOMZBBRYSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000783739558 585841658 /nfs/dbraw/zinc/84/16/58/585841658.db2.gz JTEDZRAZHGNLBP-IUODEOHRSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000783739563 585841639 /nfs/dbraw/zinc/84/16/39/585841639.db2.gz JTEDZRAZHGNLBP-SWLSCSKDSA-N 1 0 249.423 3.794 20 0 BHADRO CC(C)c1ccccc1C[NH2+][C@H]1CCS[C@H]1C ZINC000783739574 585841652 /nfs/dbraw/zinc/84/16/52/585841652.db2.gz JTEDZRAZHGNLBP-WFASDCNBSA-N 1 0 249.423 3.794 20 0 BHADRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000784162902 585852090 /nfs/dbraw/zinc/85/20/90/585852090.db2.gz XVWCHDAWKBLWAJ-CZUORRHYSA-N 1 0 247.382 3.592 20 0 BHADRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000784162904 585852106 /nfs/dbraw/zinc/85/21/06/585852106.db2.gz XVWCHDAWKBLWAJ-XJKSGUPXSA-N 1 0 247.382 3.592 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000784223658 585853162 /nfs/dbraw/zinc/85/31/62/585853162.db2.gz RJDZDEPIIOVLJA-MAZHCROVSA-N 1 0 229.367 3.965 20 0 BHADRO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000784223660 585853018 /nfs/dbraw/zinc/85/30/18/585853018.db2.gz RJDZDEPIIOVLJA-VBNZEHGJSA-N 1 0 229.367 3.965 20 0 BHADRO C[N@@H+](Cc1ccc(CF)cc1)C[C@H]1CC=CCC1 ZINC000784385126 585857909 /nfs/dbraw/zinc/85/79/09/585857909.db2.gz KCDONDWCLROXQS-HNNXBMFYSA-N 1 0 247.357 3.944 20 0 BHADRO C[N@@H+](Cc1ccc(CF)cc1)C[C@@H]1CC=CCC1 ZINC000784385127 585858024 /nfs/dbraw/zinc/85/80/24/585858024.db2.gz KCDONDWCLROXQS-OAHLLOKOSA-N 1 0 247.357 3.944 20 0 BHADRO C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1CC=CCC1 ZINC000784385390 585857933 /nfs/dbraw/zinc/85/79/33/585857933.db2.gz LWJYAVSVKIWECS-PAKSIRSJSA-N 1 0 234.170 3.594 20 0 BHADRO C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1CC=CCC1 ZINC000784385391 585857936 /nfs/dbraw/zinc/85/79/36/585857936.db2.gz LWJYAVSVKIWECS-QBQSQJOESA-N 1 0 234.170 3.594 20 0 BHADRO C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1CC=CCC1 ZINC000784385392 585857895 /nfs/dbraw/zinc/85/78/95/585857895.db2.gz LWJYAVSVKIWECS-UEUZTHOGSA-N 1 0 234.170 3.594 20 0 BHADRO C[N@@H+](C/C(Cl)=C\Cl)C[C@H]1CC=CCC1 ZINC000784385393 585857979 /nfs/dbraw/zinc/85/79/79/585857979.db2.gz LWJYAVSVKIWECS-VUBLIPMDSA-N 1 0 234.170 3.594 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)C[C@@H]2CC=CCC2)o1 ZINC000784385701 585857745 /nfs/dbraw/zinc/85/77/45/585857745.db2.gz OPWKLHOEIZPRMB-CYBMUJFWSA-N 1 0 248.370 3.586 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)C[C@H]2CC=CCC2)o1 ZINC000784385702 585857939 /nfs/dbraw/zinc/85/79/39/585857939.db2.gz OPWKLHOEIZPRMB-ZDUSSCGKSA-N 1 0 248.370 3.586 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC000784502652 585861446 /nfs/dbraw/zinc/86/14/46/585861446.db2.gz YVNFAHZKPKFVNT-KQIUPUNMSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC000784502654 585861537 /nfs/dbraw/zinc/86/15/37/585861537.db2.gz YVNFAHZKPKFVNT-LYKUJDHUSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1cc(C)cc([C@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC000784502656 585861594 /nfs/dbraw/zinc/86/15/94/585861594.db2.gz YVNFAHZKPKFVNT-MFBWXBCUSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1cc(C)cc([C@@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC000784502658 585861561 /nfs/dbraw/zinc/86/15/61/585861561.db2.gz YVNFAHZKPKFVNT-PKXJPQMGSA-N 1 0 249.785 3.845 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000784507929 585861657 /nfs/dbraw/zinc/86/16/57/585861657.db2.gz BWIGQJULLYXRSJ-GFCCVEGCSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000784507930 585861685 /nfs/dbraw/zinc/86/16/85/585861685.db2.gz BWIGQJULLYXRSJ-LBPRGKRZSA-N 1 0 237.412 3.659 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000784509195 585861837 /nfs/dbraw/zinc/86/18/37/585861837.db2.gz GDWVCMQRSBBNMB-CMWXKVOJSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)(C)[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000784509333 585861881 /nfs/dbraw/zinc/86/18/81/585861881.db2.gz GDWVCMQRSBBNMB-LKJZUNMESA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000784509335 585861762 /nfs/dbraw/zinc/86/17/62/585861762.db2.gz GDWVCMQRSBBNMB-WPVMNKCKSA-N 1 0 236.186 3.673 20 0 BHADRO CC(C)(C)[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000784509339 585861750 /nfs/dbraw/zinc/86/17/50/585861750.db2.gz GDWVCMQRSBBNMB-ZFZMKPAXSA-N 1 0 236.186 3.673 20 0 BHADRO Cc1ccc(F)c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000784640298 585865101 /nfs/dbraw/zinc/86/51/01/585865101.db2.gz GCIVOGSTYVNJRX-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C(=C\c1ccccc1)\C[NH2+]C12CCC(CC1)C2 ZINC000784640306 585865077 /nfs/dbraw/zinc/86/50/77/585865077.db2.gz GMXUUARTTPTKTA-DAXSKMNVSA-N 1 0 227.351 3.622 20 0 BHADRO C(=C/c1ccccc1)\C[NH2+]C12CCC(CC1)C2 ZINC000784640307 585865034 /nfs/dbraw/zinc/86/50/34/585865034.db2.gz GMXUUARTTPTKTA-QPJJXVBHSA-N 1 0 227.351 3.622 20 0 BHADRO Cc1ccc(C[NH2+]C23CCC(CC2)C3)cc1C ZINC000784640328 585864992 /nfs/dbraw/zinc/86/49/92/585864992.db2.gz HYEJCXIOTIAAFM-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1ccc(F)cc1C[NH2+]C12CCC(CC1)C2 ZINC000784640382 585864982 /nfs/dbraw/zinc/86/49/82/585864982.db2.gz JRYMNNDDCXDELS-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cc(C)cc(C[NH2+]C23CCC(CC2)C3)c1 ZINC000784641160 585865083 /nfs/dbraw/zinc/86/50/83/585865083.db2.gz TYRBSVURSCQVHF-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO c1ccc([C@H]2C[C@H]2C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784641439 585865028 /nfs/dbraw/zinc/86/50/28/585865028.db2.gz WZCIMBQGFJALAC-CBUUIXETSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784641440 585865111 /nfs/dbraw/zinc/86/51/11/585865111.db2.gz WZCIMBQGFJALAC-DBGUYSSFSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784641441 585864927 /nfs/dbraw/zinc/86/49/27/585864927.db2.gz WZCIMBQGFJALAC-JCUPBUFNSA-N 1 0 241.378 3.712 20 0 BHADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784641442 585865049 /nfs/dbraw/zinc/86/50/49/585865049.db2.gz WZCIMBQGFJALAC-YTWPKEEVSA-N 1 0 241.378 3.712 20 0 BHADRO Fc1ccc(/C=C/C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784642805 585864953 /nfs/dbraw/zinc/86/49/53/585864953.db2.gz AVSAAUAMVBTYGJ-OWOJBTEDSA-N 1 0 245.341 3.761 20 0 BHADRO Fc1ccc(/C=C\C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784642806 585865081 /nfs/dbraw/zinc/86/50/81/585865081.db2.gz AVSAAUAMVBTYGJ-UPHRSURJSA-N 1 0 245.341 3.761 20 0 BHADRO Cc1ccc(C[NH2+]C23CCC(CC2)C3)cc1F ZINC000784642814 585865307 /nfs/dbraw/zinc/86/53/07/585865307.db2.gz BARHCMYZYXKQJP-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(C[NH2+]C23CCC(CC2)C3)c1C ZINC000784643025 585865250 /nfs/dbraw/zinc/86/52/50/585865250.db2.gz FBHWOFIPFLKGCD-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO c1oc2ccccc2c1C[NH2+]C12CCC(CC1)C2 ZINC000784643564 585865347 /nfs/dbraw/zinc/86/53/47/585865347.db2.gz LFSAFFFHFQPFER-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO CCc1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784643586 585865210 /nfs/dbraw/zinc/86/52/10/585865210.db2.gz LYXCKIXJNLDLOQ-UHFFFAOYSA-N 1 0 229.367 3.671 20 0 BHADRO Cc1cc(C[NH2+]C23CCC(CC2)C3)ccc1F ZINC000784643595 585865127 /nfs/dbraw/zinc/86/51/27/585865127.db2.gz MJKVQPQNMXHEOD-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1ccc(C[NH2+]C23CCC(CC2)C3)c(C)c1 ZINC000784643618 585865170 /nfs/dbraw/zinc/86/51/70/585865170.db2.gz NDGOVPLTSKJNLP-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO c1ccc(C2CC2)c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000784643911 585865132 /nfs/dbraw/zinc/86/51/32/585865132.db2.gz OSKZGZBVVPYJEI-UHFFFAOYSA-N 1 0 241.378 3.986 20 0 BHADRO CCOc1cccc(C[NH2+]C23CCC(CC2)C3)c1 ZINC000784643927 585865222 /nfs/dbraw/zinc/86/52/22/585865222.db2.gz PFOFKPKPLIOZAC-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C23CCC(CC2)C3)o1 ZINC000784643972 585865285 /nfs/dbraw/zinc/86/52/85/585865285.db2.gz QBMIJOQNERIFEL-AGBNJFSLSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C23CCC(CC2)C3)o1 ZINC000784643973 585865278 /nfs/dbraw/zinc/86/52/78/585865278.db2.gz QBMIJOQNERIFEL-CVGUKDDFSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C23CCC(CC2)C3)o1 ZINC000784643974 585865228 /nfs/dbraw/zinc/86/52/28/585865228.db2.gz QBMIJOQNERIFEL-RDNPCOENSA-N 1 0 245.366 3.825 20 0 BHADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C23CCC(CC2)C3)o1 ZINC000784643975 585865334 /nfs/dbraw/zinc/86/53/34/585865334.db2.gz QBMIJOQNERIFEL-SHOKAGSKSA-N 1 0 245.366 3.825 20 0 BHADRO CSc1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784643978 585865312 /nfs/dbraw/zinc/86/53/12/585865312.db2.gz QDGIOISMBOSYOJ-UHFFFAOYSA-N 1 0 247.407 3.831 20 0 BHADRO c1c2ccccc2oc1C[NH2+]C12CCC(CC1)C2 ZINC000784644097 585865252 /nfs/dbraw/zinc/86/52/52/585865252.db2.gz SDVPFLJLGCLIIB-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO CCOc1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000784644288 585865317 /nfs/dbraw/zinc/86/53/17/585865317.db2.gz UZZQFZMCNRUZEU-UHFFFAOYSA-N 1 0 245.366 3.508 20 0 BHADRO Cc1ccc(C)c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000784644294 585865192 /nfs/dbraw/zinc/86/51/92/585865192.db2.gz VEZHFHMFVVJMGR-UHFFFAOYSA-N 1 0 229.367 3.726 20 0 BHADRO c1cc2cccc(C[NH2+]C34CCC(CC3)C4)c2[nH]1 ZINC000784644555 585865159 /nfs/dbraw/zinc/86/51/59/585865159.db2.gz YKCPDFAWXIFALD-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc(F)nc1C ZINC000785411511 585873083 /nfs/dbraw/zinc/87/30/83/585873083.db2.gz RYBILMMABACEBD-LLVKDONJSA-N 1 0 238.350 3.588 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc(F)nc1C ZINC000785411512 585873099 /nfs/dbraw/zinc/87/30/99/585873099.db2.gz RYBILMMABACEBD-NSHDSACASA-N 1 0 238.350 3.588 20 0 BHADRO Cc1cncc(C[N@@H+](C)C2CCCCCCC2)c1 ZINC000785445237 585874067 /nfs/dbraw/zinc/87/40/67/585874067.db2.gz ZKMXEPAAYGEEHR-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccc(F)nc1C ZINC000785478189 585874671 /nfs/dbraw/zinc/87/46/71/585874671.db2.gz VTXBTVYQDNJBSD-UHFFFAOYSA-N 1 0 238.350 3.588 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000785517450 585875151 /nfs/dbraw/zinc/87/51/51/585875151.db2.gz JITZNLQYGKHHGI-CYBMUJFWSA-N 1 0 249.423 3.653 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000785517451 585875373 /nfs/dbraw/zinc/87/53/73/585875373.db2.gz JITZNLQYGKHHGI-ZDUSSCGKSA-N 1 0 249.423 3.653 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc2ccccc2o1 ZINC000785571175 585875909 /nfs/dbraw/zinc/87/59/09/585875909.db2.gz QDWOXNMIEKHMIV-DMDPSCGWSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1cc2ccccc2o1 ZINC000785571177 585875797 /nfs/dbraw/zinc/87/57/97/585875797.db2.gz QDWOXNMIEKHMIV-LOWVWBTDSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1cc2ccccc2o1 ZINC000785571179 585875896 /nfs/dbraw/zinc/87/58/96/585875896.db2.gz QDWOXNMIEKHMIV-NQBHXWOUSA-N 1 0 229.323 3.882 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1cc2ccccc2o1 ZINC000785571181 585875861 /nfs/dbraw/zinc/87/58/61/585875861.db2.gz QDWOXNMIEKHMIV-WZRBSPASSA-N 1 0 229.323 3.882 20 0 BHADRO CC(C)([NH2+]C1CCCCCC1)C1CCOCC1 ZINC000785601043 585876611 /nfs/dbraw/zinc/87/66/11/585876611.db2.gz HAJLQJXWGXJVIM-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C12CCC(CC1)C2 ZINC000785978856 585884710 /nfs/dbraw/zinc/88/47/10/585884710.db2.gz JJKMWQGOYNLGNA-CIDNJEQPSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C12CCC(CC1)C2 ZINC000785978857 585884738 /nfs/dbraw/zinc/88/47/38/585884738.db2.gz JJKMWQGOYNLGNA-JWMHWRSXSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C12CCC(CC1)C2 ZINC000785978858 585884752 /nfs/dbraw/zinc/88/47/52/585884752.db2.gz JJKMWQGOYNLGNA-UIDBIOKJSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C12CCC(CC1)C2 ZINC000785978859 585884467 /nfs/dbraw/zinc/88/44/67/585884467.db2.gz JJKMWQGOYNLGNA-YHNBSYBMSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)c1ccc[nH]1 ZINC000785978886 585884777 /nfs/dbraw/zinc/88/47/77/585884777.db2.gz KHPAOCGTRKJHOP-BFHYXJOUSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000785978887 585884797 /nfs/dbraw/zinc/88/47/97/585884797.db2.gz KHPAOCGTRKJHOP-IHRRRGAJSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000785978889 585884704 /nfs/dbraw/zinc/88/47/04/585884704.db2.gz KHPAOCGTRKJHOP-MELADBBJSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)c1ccc[nH]1 ZINC000785978891 585884672 /nfs/dbraw/zinc/88/46/72/585884672.db2.gz KHPAOCGTRKJHOP-MJBXVCDLSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)Cc1ccco1 ZINC000785980466 585884565 /nfs/dbraw/zinc/88/45/65/585884565.db2.gz ZGDPMFIJEQLJCU-DZKIICNBSA-N 1 0 247.382 3.793 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)Cc1ccco1 ZINC000785980469 585884505 /nfs/dbraw/zinc/88/45/05/585884505.db2.gz ZGDPMFIJEQLJCU-LZWOXQAQSA-N 1 0 247.382 3.793 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)Cc1ccco1 ZINC000785980471 585884555 /nfs/dbraw/zinc/88/45/55/585884555.db2.gz ZGDPMFIJEQLJCU-OFQRWUPVSA-N 1 0 247.382 3.793 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)Cc1ccco1 ZINC000785980473 585884658 /nfs/dbraw/zinc/88/46/58/585884658.db2.gz ZGDPMFIJEQLJCU-SQWLQELKSA-N 1 0 247.382 3.793 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C/C=C/Cl)C2)cc1 ZINC000786124429 585887839 /nfs/dbraw/zinc/88/78/39/585887839.db2.gz DPPKCPCEFRMBOV-JGAQIUESSA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C/C=C/Cl)C2)cc1 ZINC000786124432 585887834 /nfs/dbraw/zinc/88/78/34/585887834.db2.gz DPPKCPCEFRMBOV-OLBOPLKTSA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C/C=C\Cl)C2)cc1 ZINC000786124434 585887812 /nfs/dbraw/zinc/88/78/12/585887812.db2.gz DPPKCPCEFRMBOV-QMVQRKLUSA-N 1 0 249.785 3.925 20 0 BHADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C/C=C\Cl)C2)cc1 ZINC000786124435 585887816 /nfs/dbraw/zinc/88/78/16/585887816.db2.gz DPPKCPCEFRMBOV-SUXGKNLPSA-N 1 0 249.785 3.925 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786163748 585888045 /nfs/dbraw/zinc/88/80/45/585888045.db2.gz NUYYIOCHLFADJD-GFCCVEGCSA-N 1 0 230.355 3.694 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786163749 585887957 /nfs/dbraw/zinc/88/79/57/585887957.db2.gz NUYYIOCHLFADJD-LBPRGKRZSA-N 1 0 230.355 3.694 20 0 BHADRO CCC(C)(C)CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786164142 585887934 /nfs/dbraw/zinc/88/79/34/585887934.db2.gz BKGZTUWJZTXXIW-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)(C)CCC[NH2+]C(C)(C)C1CCOCC1 ZINC000786165849 585887904 /nfs/dbraw/zinc/88/79/04/585887904.db2.gz NMJVTMYFEMKICF-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)c1cnc(C[N@H+](C)C2(C)CCCC2)o1 ZINC000786214540 585888719 /nfs/dbraw/zinc/88/87/19/585888719.db2.gz OFFSYWIOUQNEOS-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO C[N@H+](Cc1ccc(CF)cc1)C1(C)CCCC1 ZINC000786217158 585888700 /nfs/dbraw/zinc/88/87/00/585888700.db2.gz ITSCHQYXVPQWRO-UHFFFAOYSA-N 1 0 235.346 3.921 20 0 BHADRO C[N@H+](CCc1cccs1)C1(C)CCCC1 ZINC000786217539 585888788 /nfs/dbraw/zinc/88/87/88/585888788.db2.gz NGVKFWRQQJVXCX-UHFFFAOYSA-N 1 0 223.385 3.555 20 0 BHADRO CCCCCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000786778149 585897294 /nfs/dbraw/zinc/89/72/94/585897294.db2.gz CPVJHSJOASDZRJ-GDBMZVCRSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000786778153 585897288 /nfs/dbraw/zinc/89/72/88/585897288.db2.gz CPVJHSJOASDZRJ-GOEBONIOSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000786778156 585897262 /nfs/dbraw/zinc/89/72/62/585897262.db2.gz CPVJHSJOASDZRJ-HOCLYGCPSA-N 1 0 249.398 3.933 20 0 BHADRO CCCCCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000786778161 585896988 /nfs/dbraw/zinc/89/69/88/585896988.db2.gz CPVJHSJOASDZRJ-ZBFHGGJFSA-N 1 0 249.398 3.933 20 0 BHADRO CCC(C)(C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000786817593 585897539 /nfs/dbraw/zinc/89/75/39/585897539.db2.gz AJVPZCLVOWZMHQ-UHFFFAOYSA-N 1 0 241.325 3.533 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1CCC1 ZINC000786860379 585898068 /nfs/dbraw/zinc/89/80/68/585898068.db2.gz IAEXIQYWPUSZSI-BBRMVZONSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CCC1 ZINC000786860383 585898059 /nfs/dbraw/zinc/89/80/59/585898059.db2.gz IAEXIQYWPUSZSI-CJNGLKHVSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CCC1 ZINC000786860384 585898152 /nfs/dbraw/zinc/89/81/52/585898152.db2.gz IAEXIQYWPUSZSI-CZUORRHYSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC1CCC1 ZINC000786860386 585897963 /nfs/dbraw/zinc/89/79/63/585897963.db2.gz IAEXIQYWPUSZSI-XJKSGUPXSA-N 1 0 247.382 3.542 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000786887312 585898170 /nfs/dbraw/zinc/89/81/70/585898170.db2.gz YVPSLTCTAPNRRH-GUTXKFCHSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000786887313 585898210 /nfs/dbraw/zinc/89/82/10/585898210.db2.gz YVPSLTCTAPNRRH-IPYPFGDCSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000786887315 585898383 /nfs/dbraw/zinc/89/83/83/585898383.db2.gz YVPSLTCTAPNRRH-NFAWXSAZSA-N 1 0 247.382 3.541 20 0 BHADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000786887317 585898230 /nfs/dbraw/zinc/89/82/30/585898230.db2.gz YVPSLTCTAPNRRH-YDHLFZDLSA-N 1 0 247.382 3.541 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)cnn1C(C)C ZINC000786922997 585898868 /nfs/dbraw/zinc/89/88/68/585898868.db2.gz NLLIUMRSCQNSFF-AAEUAGOBSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)cnn1C(C)C ZINC000786923002 585898861 /nfs/dbraw/zinc/89/88/61/585898861.db2.gz NLLIUMRSCQNSFF-DGCLKSJQSA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@H](C)[NH2+][C@H](C)C2(C)CC2)cnn1C(C)C ZINC000786923003 585898626 /nfs/dbraw/zinc/89/86/26/585898626.db2.gz NLLIUMRSCQNSFF-WCQYABFASA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)cnn1C(C)C ZINC000786923004 585898471 /nfs/dbraw/zinc/89/84/71/585898471.db2.gz NLLIUMRSCQNSFF-YPMHNXCESA-N 1 0 249.402 3.612 20 0 BHADRO Cc1c([C@@H](C)[NH2+]CCC2CCC2)cnn1C(C)C ZINC000786923093 585898839 /nfs/dbraw/zinc/89/88/39/585898839.db2.gz NXRSOFLXHLLCOE-GFCCVEGCSA-N 1 0 249.402 3.613 20 0 BHADRO Cc1c([C@H](C)[NH2+]CCC2CCC2)cnn1C(C)C ZINC000786923094 585898677 /nfs/dbraw/zinc/89/86/77/585898677.db2.gz NXRSOFLXHLLCOE-LBPRGKRZSA-N 1 0 249.402 3.613 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@H]2CC[C@@H]2C)cc1 ZINC000786962553 585899260 /nfs/dbraw/zinc/89/92/60/585899260.db2.gz XRUIOWVOYMJNLC-BBRMVZONSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@H]2CC[C@H]2C)cc1 ZINC000786962555 585899190 /nfs/dbraw/zinc/89/91/90/585899190.db2.gz XRUIOWVOYMJNLC-CJNGLKHVSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@@H]2CC[C@H]2C)cc1 ZINC000786962558 636847016 /nfs/dbraw/zinc/84/70/16/636847016.db2.gz XRUIOWVOYMJNLC-CZUORRHYSA-N 1 0 246.398 3.739 20 0 BHADRO CC[NH+](CC)Cc1ccc(N[C@@H]2CC[C@@H]2C)cc1 ZINC000786962569 636847280 /nfs/dbraw/zinc/84/72/80/636847280.db2.gz XRUIOWVOYMJNLC-XJKSGUPXSA-N 1 0 246.398 3.739 20 0 BHADRO CC(C)CC[N@H+](C)Cc1cc(Cl)cs1 ZINC000787087519 585901101 /nfs/dbraw/zinc/90/11/01/585901101.db2.gz QBJHMDQFSYKHET-UHFFFAOYSA-N 1 0 231.792 3.879 20 0 BHADRO C[N@H+](C[C@H]1CCSC1)C1CCCCCCC1 ZINC000787144589 585901907 /nfs/dbraw/zinc/90/19/07/585901907.db2.gz PMBNKJPMZZBVAD-CYBMUJFWSA-N 1 0 241.444 3.784 20 0 BHADRO C[N@H+](C[C@@H]1CCSC1)C1CCCCCCC1 ZINC000787144590 585902139 /nfs/dbraw/zinc/90/21/39/585902139.db2.gz PMBNKJPMZZBVAD-ZDUSSCGKSA-N 1 0 241.444 3.784 20 0 BHADRO Clc1csc(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000787150591 585902280 /nfs/dbraw/zinc/90/22/80/585902280.db2.gz SOSFGKDUZUKNMA-GFCCVEGCSA-N 1 0 241.787 3.776 20 0 BHADRO Clc1csc(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000787150592 585902310 /nfs/dbraw/zinc/90/23/10/585902310.db2.gz SOSFGKDUZUKNMA-LBPRGKRZSA-N 1 0 241.787 3.776 20 0 BHADRO CC1(C[NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000787161140 585902307 /nfs/dbraw/zinc/90/23/07/585902307.db2.gz AXRTXFPJGZPJNN-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO CC1(C[NH+]2CCC(c3cccc(F)c3)CC2)CC1 ZINC000787163914 585902190 /nfs/dbraw/zinc/90/21/90/585902190.db2.gz MDJLOVKXJMFJOX-UHFFFAOYSA-N 1 0 247.357 3.805 20 0 BHADRO Fc1ccc(C[N@H+](C2CC2)C2CCCCC2)nc1 ZINC000787168303 585902549 /nfs/dbraw/zinc/90/25/49/585902549.db2.gz IWAYPMSNCNTMAL-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO COC(C)(C)CCN(C)c1ccc(C)cc1C ZINC000787182953 585902625 /nfs/dbraw/zinc/90/26/25/585902625.db2.gz JRZQTEDYVRBKRF-UHFFFAOYSA-N 1 0 235.371 3.555 20 0 BHADRO COC(C)(C)CCN(C)c1ccc(C)c(C)c1 ZINC000787184102 585902679 /nfs/dbraw/zinc/90/26/79/585902679.db2.gz NJKIPQGKQIRXJA-UHFFFAOYSA-N 1 0 235.371 3.555 20 0 BHADRO C[N@H+](CC[C@@H]1CCCO1)C1CCCCCCC1 ZINC000787203965 585902744 /nfs/dbraw/zinc/90/27/44/585902744.db2.gz BSMSFCVYFDKRAD-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](CC[C@H]1CCCO1)C1CCCCCCC1 ZINC000787203966 585902783 /nfs/dbraw/zinc/90/27/83/585902783.db2.gz BSMSFCVYFDKRAD-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO COC(C)(C)CC[N@H+](C)C1CCCCCCC1 ZINC000787204249 585902925 /nfs/dbraw/zinc/90/29/25/585902925.db2.gz GHPCBICPTUQINV-UHFFFAOYSA-N 1 0 241.419 3.846 20 0 BHADRO COC(C)(C)CC[NH+]1CCC(CC(C)C)CC1 ZINC000787264380 585904075 /nfs/dbraw/zinc/90/40/75/585904075.db2.gz RNJROOCRVYMHKO-UHFFFAOYSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@](C)([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000787279119 585904593 /nfs/dbraw/zinc/90/45/93/585904593.db2.gz LOXDNKWAPHMSQB-INIZCTEOSA-N 1 0 249.398 3.717 20 0 BHADRO CC[C@@](C)([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000787279122 585904603 /nfs/dbraw/zinc/90/46/03/585904603.db2.gz LOXDNKWAPHMSQB-MRXNPFEDSA-N 1 0 249.398 3.717 20 0 BHADRO Cc1cc(C[N@@H+](C)C2(C)CCCC2)c(C)o1 ZINC000787337930 585907075 /nfs/dbraw/zinc/90/70/75/585907075.db2.gz UFLVURQJGOVDNC-UHFFFAOYSA-N 1 0 221.344 3.661 20 0 BHADRO CCCCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000787648801 585913534 /nfs/dbraw/zinc/91/35/34/585913534.db2.gz DHFJKOWBELRYMW-LLVKDONJSA-N 1 0 240.778 3.708 20 0 BHADRO CCCCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000787648819 585913637 /nfs/dbraw/zinc/91/36/37/585913637.db2.gz DHFJKOWBELRYMW-NSHDSACASA-N 1 0 240.778 3.708 20 0 BHADRO FC1(F)CC[C@@H](C[NH+]2CCCCCCC2)C1 ZINC000787688041 585914098 /nfs/dbraw/zinc/91/40/98/585914098.db2.gz NALWRWXOVCNCHE-GFCCVEGCSA-N 1 0 231.330 3.688 20 0 BHADRO FC1(F)CC[C@H](C[NH+]2CCCCCCC2)C1 ZINC000787688047 585914025 /nfs/dbraw/zinc/91/40/25/585914025.db2.gz NALWRWXOVCNCHE-LBPRGKRZSA-N 1 0 231.330 3.688 20 0 BHADRO CCC(O)(CC)CC[NH2+]C1CCCCCCC1 ZINC000788262607 585920048 /nfs/dbraw/zinc/92/00/48/585920048.db2.gz OGWIKDGMZMDMMK-UHFFFAOYSA-N 1 0 241.419 3.630 20 0 BHADRO Fc1cccc(C2([NH2+]C3CC4(CCC4)C3)CC2)c1 ZINC000788437346 585923341 /nfs/dbraw/zinc/92/33/41/585923341.db2.gz RGGBNYMTRQHOPJ-UHFFFAOYSA-N 1 0 245.341 3.737 20 0 BHADRO C1=C(CC[NH2+]C[C@@H]2CCc3ccccc32)CCC1 ZINC000788448020 585924215 /nfs/dbraw/zinc/92/42/15/585924215.db2.gz UEEDUXLISBFUFR-INIZCTEOSA-N 1 0 241.378 3.806 20 0 BHADRO C1=C(CC[NH2+]C[C@H]2CCc3ccccc32)CCC1 ZINC000788448023 585924301 /nfs/dbraw/zinc/92/43/01/585924301.db2.gz UEEDUXLISBFUFR-MRXNPFEDSA-N 1 0 241.378 3.806 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000788497231 585925501 /nfs/dbraw/zinc/92/55/01/585925501.db2.gz GFEWXTIIGOKTRP-CYBMUJFWSA-N 1 0 245.370 3.565 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000788497233 585925621 /nfs/dbraw/zinc/92/56/21/585925621.db2.gz GFEWXTIIGOKTRP-ZDUSSCGKSA-N 1 0 245.370 3.565 20 0 BHADRO CCCCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000788508903 585925582 /nfs/dbraw/zinc/92/55/82/585925582.db2.gz MORQHTNWWSNQAG-UHFFFAOYSA-N 1 0 230.355 3.838 20 0 BHADRO C[C@H](C[NH2+]Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000788515255 585871184 /nfs/dbraw/zinc/87/11/84/585871184.db2.gz JFVVAGJEWZOSPC-GFCCVEGCSA-N 1 0 244.382 3.940 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000788515256 585871045 /nfs/dbraw/zinc/87/10/45/585871045.db2.gz JFVVAGJEWZOSPC-LBPRGKRZSA-N 1 0 244.382 3.940 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C12CCC(CC1)C2 ZINC000788522925 585926336 /nfs/dbraw/zinc/92/63/36/585926336.db2.gz LXGQYLWTHYSLCS-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H](C[NH2+]C1CC(C)(C)C1)c1cccc(F)c1 ZINC000788580037 585927241 /nfs/dbraw/zinc/92/72/41/585927241.db2.gz KPLBKZNUXDVPRL-LLVKDONJSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+]C1CC(C)(C)C1)c1cccc(F)c1 ZINC000788580038 585927184 /nfs/dbraw/zinc/92/71/84/585927184.db2.gz KPLBKZNUXDVPRL-NSHDSACASA-N 1 0 235.346 3.707 20 0 BHADRO CC(C)[C@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000788582913 585927177 /nfs/dbraw/zinc/92/71/77/585927177.db2.gz OVHTVLFEEJSOMS-AWEZNQCLSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccn1 ZINC000788582914 585927317 /nfs/dbraw/zinc/92/73/17/585927317.db2.gz OVHTVLFEEJSOMS-CQSZACIVSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1cccc(OCCC[NH2+]C2CC(C)(C)C2)c1 ZINC000788593594 585927510 /nfs/dbraw/zinc/92/75/10/585927510.db2.gz ZCNFJNKEQDVZIA-UHFFFAOYSA-N 1 0 247.382 3.542 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788623347 585041004 /nfs/dbraw/zinc/04/10/04/585041004.db2.gz ABODIBZEBJEUID-BPUTZDHNSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000788623349 585041049 /nfs/dbraw/zinc/04/10/49/585041049.db2.gz ABODIBZEBJEUID-CWRNSKLLSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788623350 585040825 /nfs/dbraw/zinc/04/08/25/585040825.db2.gz ABODIBZEBJEUID-IMJJTQAJSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000788623351 585040943 /nfs/dbraw/zinc/04/09/43/585040943.db2.gz ABODIBZEBJEUID-NUEKZKHPSA-N 1 0 249.398 3.523 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC=C(C)CC1 ZINC000788666313 585928667 /nfs/dbraw/zinc/92/86/67/585928667.db2.gz ASRWAEIYVRJNBL-HNNXBMFYSA-N 1 0 229.367 3.892 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000788666315 585928619 /nfs/dbraw/zinc/92/86/19/585928619.db2.gz ASRWAEIYVRJNBL-OAHLLOKOSA-N 1 0 229.367 3.892 20 0 BHADRO Oc1cccc2c1CCC[C@@H]2[NH2+]CCC1CCC1 ZINC000788669825 585928589 /nfs/dbraw/zinc/92/85/89/585928589.db2.gz QBVIMEUXLMNZLO-HNNXBMFYSA-N 1 0 245.366 3.549 20 0 BHADRO Oc1cccc2c1CCC[C@H]2[NH2+]CCC1CCC1 ZINC000788669826 585928716 /nfs/dbraw/zinc/92/87/16/585928716.db2.gz QBVIMEUXLMNZLO-OAHLLOKOSA-N 1 0 245.366 3.549 20 0 BHADRO CC1=CC[C@@H](Nc2ccc3c(c2)CCO3)CC1 ZINC000788727803 585929553 /nfs/dbraw/zinc/92/95/53/585929553.db2.gz KZDJZAMZZNKHSX-CYBMUJFWSA-N 1 0 229.323 3.532 20 0 BHADRO CC1=CC[C@H](Nc2ccc3c(c2)CCO3)CC1 ZINC000788727807 585929573 /nfs/dbraw/zinc/92/95/73/585929573.db2.gz KZDJZAMZZNKHSX-ZDUSSCGKSA-N 1 0 229.323 3.532 20 0 BHADRO Cc1cc(N[C@H]2CC=C(C)CC2)ccc1N(C)C ZINC000788728429 585929523 /nfs/dbraw/zinc/92/95/23/585929523.db2.gz NCGVSOSZBNQOES-AWEZNQCLSA-N 1 0 244.382 3.972 20 0 BHADRO Cc1cc(N[C@@H]2CC=C(C)CC2)ccc1N(C)C ZINC000788728431 585929504 /nfs/dbraw/zinc/92/95/04/585929504.db2.gz NCGVSOSZBNQOES-CQSZACIVSA-N 1 0 244.382 3.972 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000788760197 585930045 /nfs/dbraw/zinc/93/00/45/585930045.db2.gz WXTBWYNIOVNRIR-CYBMUJFWSA-N 1 0 249.398 3.713 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000788760199 585929997 /nfs/dbraw/zinc/92/99/97/585929997.db2.gz WXTBWYNIOVNRIR-ZDUSSCGKSA-N 1 0 249.398 3.713 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CCC12CCCC2 ZINC000788983140 585932900 /nfs/dbraw/zinc/93/29/00/585932900.db2.gz BFJCLOWKMZKHGD-HNNXBMFYSA-N 1 0 247.357 3.947 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC12CCCC2 ZINC000788983144 585932962 /nfs/dbraw/zinc/93/29/62/585932962.db2.gz BFJCLOWKMZKHGD-OAHLLOKOSA-N 1 0 247.357 3.947 20 0 BHADRO CC(C)(C)OCCCC[NH+]1CCCCCCC1 ZINC000789307233 585939109 /nfs/dbraw/zinc/93/91/09/585939109.db2.gz TYMVRZPGYZOORA-UHFFFAOYSA-N 1 0 241.419 3.848 20 0 BHADRO C[C@H]1CC[C@H](C[N@H+](C)C2CCCCCCC2)O1 ZINC000789316209 585939468 /nfs/dbraw/zinc/93/94/68/585939468.db2.gz FQJPHGAISTUCNG-DZGCQCFKSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCCCC2)O1 ZINC000789316210 585939539 /nfs/dbraw/zinc/93/95/39/585939539.db2.gz FQJPHGAISTUCNG-HIFRSBDPSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@@H]1CC[C@H](C[N@H+](C)C2CCCCCCC2)O1 ZINC000789316211 585939392 /nfs/dbraw/zinc/93/93/92/585939392.db2.gz FQJPHGAISTUCNG-UKRRQHHQSA-N 1 0 239.403 3.599 20 0 BHADRO C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCCCC2)O1 ZINC000789316212 585939582 /nfs/dbraw/zinc/93/95/82/585939582.db2.gz FQJPHGAISTUCNG-ZFWWWQNUSA-N 1 0 239.403 3.599 20 0 BHADRO CCCCc1ccc(N(C)CCC[C@H](C)O)cc1 ZINC000789346988 585940721 /nfs/dbraw/zinc/94/07/21/585940721.db2.gz HRTHNXMQXSKGSZ-AWEZNQCLSA-N 1 0 249.398 3.626 20 0 BHADRO CCCCc1ccc(N(C)CCC[C@@H](C)O)cc1 ZINC000789346989 585940688 /nfs/dbraw/zinc/94/06/88/585940688.db2.gz HRTHNXMQXSKGSZ-CQSZACIVSA-N 1 0 249.398 3.626 20 0 BHADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000789452113 644788523 /nfs/dbraw/zinc/78/85/23/644788523.db2.gz QBBTWXWXQVSCTL-JYILAWLKSA-N 1 0 236.186 3.672 20 0 BHADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000789452114 644788571 /nfs/dbraw/zinc/78/85/71/644788571.db2.gz QBBTWXWXQVSCTL-TXXFAWKFSA-N 1 0 236.186 3.672 20 0 BHADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000789452115 644788228 /nfs/dbraw/zinc/78/82/28/644788228.db2.gz QBBTWXWXQVSCTL-ULQZIGKOSA-N 1 0 236.186 3.672 20 0 BHADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000789452116 644788036 /nfs/dbraw/zinc/78/80/36/644788036.db2.gz QBBTWXWXQVSCTL-VTRZNIIMSA-N 1 0 236.186 3.672 20 0 BHADRO c1c2ccccc2[nH]c1C[NH+]1CCCCCCC1 ZINC000789719763 585948853 /nfs/dbraw/zinc/94/88/53/585948853.db2.gz BVSNDLCYIXRLHP-UHFFFAOYSA-N 1 0 242.366 3.934 20 0 BHADRO CCC(CC)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789780805 585950019 /nfs/dbraw/zinc/95/00/19/585950019.db2.gz YPYROKSUAHNEJJ-CVEARBPZSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789780806 585950052 /nfs/dbraw/zinc/95/00/52/585950052.db2.gz YPYROKSUAHNEJJ-HOTGVXAUSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789780807 585949923 /nfs/dbraw/zinc/94/99/23/585949923.db2.gz YPYROKSUAHNEJJ-HZPDHXFCSA-N 1 0 249.398 3.523 20 0 BHADRO CCC(CC)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789780808 585949937 /nfs/dbraw/zinc/94/99/37/585949937.db2.gz YPYROKSUAHNEJJ-JKSUJKDBSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)[NH+](CCSCCCCCF)C(C)C ZINC000789966079 585954221 /nfs/dbraw/zinc/95/42/21/585954221.db2.gz HOJQMIPEWANSCP-UHFFFAOYSA-N 1 0 249.439 3.978 20 0 BHADRO CC(C)(SCC[NH+]1CCCC1)c1ccccc1 ZINC000789982177 585955412 /nfs/dbraw/zinc/95/54/12/585955412.db2.gz JHBLMBHTFYCXPE-UHFFFAOYSA-N 1 0 249.423 3.751 20 0 BHADRO C/C(=C\Cl)CSCC[C@H]1CCCC[N@H+]1C ZINC000789983071 585955510 /nfs/dbraw/zinc/95/55/10/585955510.db2.gz UILUHAUAFFFBDW-LMMOQWNQSA-N 1 0 247.835 3.737 20 0 BHADRO C/C(=C/Cl)CSCC[C@@H]1CCCC[N@H+]1C ZINC000789983072 585955452 /nfs/dbraw/zinc/95/54/52/585955452.db2.gz UILUHAUAFFFBDW-MMRAYRKESA-N 1 0 247.835 3.737 20 0 BHADRO C/C(=C/Cl)CSCC[C@H]1CCCC[N@H+]1C ZINC000789983073 585955576 /nfs/dbraw/zinc/95/55/76/585955576.db2.gz UILUHAUAFFFBDW-UCQJPZFISA-N 1 0 247.835 3.737 20 0 BHADRO C/C(=C\Cl)CSCC[C@@H]1CCCC[N@H+]1C ZINC000789983074 585955446 /nfs/dbraw/zinc/95/54/46/585955446.db2.gz UILUHAUAFFFBDW-ZKQHCESOSA-N 1 0 247.835 3.737 20 0 BHADRO CCC(CC)(CC)SCC[NH+]1CCCC1 ZINC000789984032 585955581 /nfs/dbraw/zinc/95/55/81/585955581.db2.gz MYSUKHSUIDRANQ-UHFFFAOYSA-N 1 0 229.433 3.784 20 0 BHADRO Cc1ccc(NC[C@@H]2CCc3ccccc32)cn1 ZINC000790056112 585956816 /nfs/dbraw/zinc/95/68/16/585956816.db2.gz SLJNEXNPLBZRQZ-AWEZNQCLSA-N 1 0 238.334 3.532 20 0 BHADRO Cc1ccc(NC[C@H]2CCc3ccccc32)cn1 ZINC000790056117 585956841 /nfs/dbraw/zinc/95/68/41/585956841.db2.gz SLJNEXNPLBZRQZ-CQSZACIVSA-N 1 0 238.334 3.532 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCC=C(C)C ZINC000790683033 585967641 /nfs/dbraw/zinc/96/76/41/585967641.db2.gz LJJHNWITDSGOAM-LLVKDONJSA-N 1 0 236.359 3.552 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CCC=C(C)C ZINC000790683103 585967739 /nfs/dbraw/zinc/96/77/39/585967739.db2.gz LJJHNWITDSGOAM-NSHDSACASA-N 1 0 236.359 3.552 20 0 BHADRO CC(C)=CCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000790683932 585967643 /nfs/dbraw/zinc/96/76/43/585967643.db2.gz VFVRFDVQUGKYGV-INIZCTEOSA-N 1 0 229.367 3.928 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000790683938 585967631 /nfs/dbraw/zinc/96/76/31/585967631.db2.gz VFVRFDVQUGKYGV-MRXNPFEDSA-N 1 0 229.367 3.928 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+]CC=C(C)C)cc1C ZINC000790695688 585967657 /nfs/dbraw/zinc/96/76/57/585967657.db2.gz AEZZRYFAZLPPBA-AWEZNQCLSA-N 1 0 247.382 3.929 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+]CC=C(C)C)cc1C ZINC000790695689 585967693 /nfs/dbraw/zinc/96/76/93/585967693.db2.gz AEZZRYFAZLPPBA-CQSZACIVSA-N 1 0 247.382 3.929 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000790701847 585967607 /nfs/dbraw/zinc/96/76/07/585967607.db2.gz OMCWKNLCWNJUKD-KBPBESRZSA-N 1 0 243.435 3.730 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000790701854 585967627 /nfs/dbraw/zinc/96/76/27/585967627.db2.gz OMCWKNLCWNJUKD-KGLIPLIRSA-N 1 0 243.435 3.730 20 0 BHADRO COc1c(C)cc(C[NH2+]CCC=C(C)C)cc1C ZINC000790990724 585971713 /nfs/dbraw/zinc/97/17/13/585971713.db2.gz IUJUCPZCRQKJIR-UHFFFAOYSA-N 1 0 247.382 3.758 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791585121 585984839 /nfs/dbraw/zinc/98/48/39/585984839.db2.gz QTIDVTZEEYPSTE-GHMZBOCLSA-N 1 0 237.309 3.839 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791585123 585984807 /nfs/dbraw/zinc/98/48/07/585984807.db2.gz QTIDVTZEEYPSTE-MNOVXSKESA-N 1 0 237.309 3.839 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791585124 585984911 /nfs/dbraw/zinc/98/49/11/585984911.db2.gz QTIDVTZEEYPSTE-QWRGUYRKSA-N 1 0 237.309 3.839 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791585125 585984930 /nfs/dbraw/zinc/98/49/30/585984930.db2.gz QTIDVTZEEYPSTE-WDEREUQCSA-N 1 0 237.309 3.839 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](C/C=C\Cl)C2)c(C)c1 ZINC000791607874 585985160 /nfs/dbraw/zinc/98/51/60/585985160.db2.gz VWCAIQYADKRFLD-NMNMAYGDSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](C/C=C/Cl)C2)c(C)c1 ZINC000791607875 585985075 /nfs/dbraw/zinc/98/50/75/585985075.db2.gz VWCAIQYADKRFLD-RRFAQUSLSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1ccc([C@@H]2CC[N@H+](C/C=C/Cl)C2)c(C)c1 ZINC000791607876 585985060 /nfs/dbraw/zinc/98/50/60/585985060.db2.gz VWCAIQYADKRFLD-UFZAZABTSA-N 1 0 249.785 3.845 20 0 BHADRO Cc1ccc([C@H]2CC[N@H+](C/C=C\Cl)C2)c(C)c1 ZINC000791607877 585985103 /nfs/dbraw/zinc/98/51/03/585985103.db2.gz VWCAIQYADKRFLD-UMSKNGNOSA-N 1 0 249.785 3.845 20 0 BHADRO c1ccc(NCC[NH2+]CCC2CCCCC2)cc1 ZINC000792174144 644794280 /nfs/dbraw/zinc/79/42/80/644794280.db2.gz NGUJAEFECCVICL-UHFFFAOYSA-N 1 0 246.398 3.659 20 0 BHADRO Cc1ccnc(C[N@@H+](C)C2CCCCCCC2)c1 ZINC000792214144 585998138 /nfs/dbraw/zinc/99/81/38/585998138.db2.gz AUGQARDTQOMBNW-UHFFFAOYSA-N 1 0 246.398 3.935 20 0 BHADRO Cc1ccnc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000792232696 585998363 /nfs/dbraw/zinc/99/83/63/585998363.db2.gz WMJFQHMBGAOBER-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO Cc1ccnc(C[NH+]2CCC(CC(C)C)CC2)c1 ZINC000792238746 585998511 /nfs/dbraw/zinc/99/85/11/585998511.db2.gz XXGFNYFDYQYNCU-UHFFFAOYSA-N 1 0 246.398 3.648 20 0 BHADRO Cc1ccnc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000792297303 585999351 /nfs/dbraw/zinc/99/93/51/585999351.db2.gz OIMBSQKQUINACF-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCCCCC[N@H+](C)Cc1ccn(CC)c1 ZINC000792312510 585999718 /nfs/dbraw/zinc/99/97/18/585999718.db2.gz FJLKTHLUVUGUJC-UHFFFAOYSA-N 1 0 222.376 3.520 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000792336195 712423173 /nfs/dbraw/zinc/42/31/73/712423173.db2.gz AQVLXJAUVKVVDZ-HNNXBMFYSA-N 1 0 247.382 3.940 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000792336197 712423022 /nfs/dbraw/zinc/42/30/22/712423022.db2.gz AQVLXJAUVKVVDZ-OAHLLOKOSA-N 1 0 247.382 3.940 20 0 BHADRO Cc1ccc(CCC[NH+]2CCCCCCC2)cn1 ZINC000792764575 586005001 /nfs/dbraw/zinc/00/50/01/586005001.db2.gz DKQLFSRLEKSBNG-UHFFFAOYSA-N 1 0 246.398 3.589 20 0 BHADRO Cc1ccc(C2=CC[N@H+](CC3(F)CC3)CC2)cc1 ZINC000792778376 586005114 /nfs/dbraw/zinc/00/51/14/586005114.db2.gz OYUWBLVOMQKSGS-UHFFFAOYSA-N 1 0 245.341 3.586 20 0 BHADRO C[N@H+](CC1(F)CC1)C1CCCCCCC1 ZINC000792798996 586005496 /nfs/dbraw/zinc/00/54/96/586005496.db2.gz WAFZCUQLNDDAJS-UHFFFAOYSA-N 1 0 213.340 3.533 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCF)Cc2ccccc21 ZINC000792863078 586005974 /nfs/dbraw/zinc/00/59/74/586005974.db2.gz RVTFEEIDXJDNPO-CYBMUJFWSA-N 1 0 235.346 3.746 20 0 BHADRO C[C@H]1C[N@H+](CCCCCF)Cc2ccccc21 ZINC000792863237 586006081 /nfs/dbraw/zinc/00/60/81/586006081.db2.gz RVTFEEIDXJDNPO-ZDUSSCGKSA-N 1 0 235.346 3.746 20 0 BHADRO FCCCCC[N@H+](CCc1ccccc1)C1CC1 ZINC000792865454 586006168 /nfs/dbraw/zinc/00/61/68/586006168.db2.gz BWKFNBHIKOQZKO-UHFFFAOYSA-N 1 0 249.373 3.833 20 0 BHADRO CC(C)([NH2+]CCCCCF)c1ccc(F)cc1 ZINC000792869368 586005973 /nfs/dbraw/zinc/00/59/73/586005973.db2.gz BQOGGJNCHOPOGK-UHFFFAOYSA-N 1 0 241.325 3.790 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000792894457 586006471 /nfs/dbraw/zinc/00/64/71/586006471.db2.gz XXRICELBWFIHPN-AWEZNQCLSA-N 1 0 248.414 3.881 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000792894458 586006279 /nfs/dbraw/zinc/00/62/79/586006279.db2.gz XXRICELBWFIHPN-CQSZACIVSA-N 1 0 248.414 3.881 20 0 BHADRO C[N@H+](C/C=C/Cl)C(C)(C)c1ccccc1 ZINC000792923681 586007073 /nfs/dbraw/zinc/00/70/73/586007073.db2.gz FWHJUZBAQOTHLV-JXMROGBWSA-N 1 0 223.747 3.606 20 0 BHADRO C[N@H+](C/C=C\Cl)C(C)(C)c1ccccc1 ZINC000792923705 586007046 /nfs/dbraw/zinc/00/70/46/586007046.db2.gz FWHJUZBAQOTHLV-YFHOEESVSA-N 1 0 223.747 3.606 20 0 BHADRO Cc1ccccc1[C@H](C)[N@@H+](CCF)CC(C)C ZINC000792924865 586007127 /nfs/dbraw/zinc/00/71/27/586007127.db2.gz HBNHEKDHCJDCPF-AWEZNQCLSA-N 1 0 237.362 3.984 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@@H+](CCF)CC(C)C ZINC000792924867 586007096 /nfs/dbraw/zinc/00/70/96/586007096.db2.gz HBNHEKDHCJDCPF-CQSZACIVSA-N 1 0 237.362 3.984 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792934209 586007495 /nfs/dbraw/zinc/00/74/95/586007495.db2.gz VAJDNJUGUVWUMI-UITAMQMPSA-N 1 0 233.742 3.528 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792934210 586007425 /nfs/dbraw/zinc/00/74/25/586007425.db2.gz VAJDNJUGUVWUMI-WEVVVXLNSA-N 1 0 233.742 3.528 20 0 BHADRO Cc1ccc(CCC[NH2+]C[C@@H](C)C(C)(C)C)cn1 ZINC000792989872 586008065 /nfs/dbraw/zinc/00/80/65/586008065.db2.gz NAPKUMHGYQVYGE-CYBMUJFWSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1ccc(CCC[NH2+]C[C@H](C)C(C)(C)C)cn1 ZINC000792989873 586008198 /nfs/dbraw/zinc/00/81/98/586008198.db2.gz NAPKUMHGYQVYGE-ZDUSSCGKSA-N 1 0 248.414 3.594 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000793031539 586008453 /nfs/dbraw/zinc/00/84/53/586008453.db2.gz KSTXINORCHHFQM-BFHYXJOUSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000793031540 586008559 /nfs/dbraw/zinc/00/85/59/586008559.db2.gz KSTXINORCHHFQM-IHRRRGAJSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000793031541 586008534 /nfs/dbraw/zinc/00/85/34/586008534.db2.gz KSTXINORCHHFQM-MELADBBJSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000793031542 586008584 /nfs/dbraw/zinc/00/85/84/586008584.db2.gz KSTXINORCHHFQM-MJBXVCDLSA-N 1 0 234.387 3.880 20 0 BHADRO COc1c(C)cc(C[NH2+]CCC2(C)CC2)cc1C ZINC000793198651 586013824 /nfs/dbraw/zinc/01/38/24/586013824.db2.gz KHPJEFQLTVBXEN-UHFFFAOYSA-N 1 0 247.382 3.592 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CCC)[C@@H](O)c1ccccc1 ZINC000793236592 586014709 /nfs/dbraw/zinc/01/47/09/586014709.db2.gz JEBIXCNVTZCJNX-BPUTZDHNSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CCC)[C@H](O)c1ccccc1 ZINC000793236593 586014756 /nfs/dbraw/zinc/01/47/56/586014756.db2.gz JEBIXCNVTZCJNX-CWRNSKLLSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCC)[C@@H](O)c1ccccc1 ZINC000793236595 586014856 /nfs/dbraw/zinc/01/48/56/586014856.db2.gz JEBIXCNVTZCJNX-IMJJTQAJSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)CCC)[C@H](O)c1ccccc1 ZINC000793236597 586014794 /nfs/dbraw/zinc/01/47/94/586014794.db2.gz JEBIXCNVTZCJNX-NUEKZKHPSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C(C)C)[C@@H](O)c1ccccc1 ZINC000793240380 644801842 /nfs/dbraw/zinc/80/18/42/644801842.db2.gz MJSSIWKLLDJMGJ-BPUTZDHNSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C(C)C)[C@H](O)c1ccccc1 ZINC000793240385 644801555 /nfs/dbraw/zinc/80/15/55/644801555.db2.gz MJSSIWKLLDJMGJ-CWRNSKLLSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C(C)C)[C@@H](O)c1ccccc1 ZINC000793240390 644802115 /nfs/dbraw/zinc/80/21/15/644802115.db2.gz MJSSIWKLLDJMGJ-KBMXLJTQSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C(C)C)[C@H](O)c1ccccc1 ZINC000793240393 644801900 /nfs/dbraw/zinc/80/19/00/644801900.db2.gz MJSSIWKLLDJMGJ-VNQPRFMTSA-N 1 0 249.398 3.523 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CC)[C@@H](O)c1ccccc1 ZINC000793242144 644801794 /nfs/dbraw/zinc/80/17/94/644801794.db2.gz PGIVYGUIPZEWOC-BPUTZDHNSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](C)CC)[C@H](O)c1ccccc1 ZINC000793242147 644801460 /nfs/dbraw/zinc/80/14/60/644801460.db2.gz PGIVYGUIPZEWOC-CWRNSKLLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CC)[C@@H](O)c1ccccc1 ZINC000793242149 644801594 /nfs/dbraw/zinc/80/15/94/644801594.db2.gz PGIVYGUIPZEWOC-KBMXLJTQSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](C)CC)[C@H](O)c1ccccc1 ZINC000793242151 644802141 /nfs/dbraw/zinc/80/21/41/644802141.db2.gz PGIVYGUIPZEWOC-VNQPRFMTSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C(CC)CC)[C@@H](O)c1ccccc1 ZINC000793245902 644802705 /nfs/dbraw/zinc/80/27/05/644802705.db2.gz ZVOSBRLQMOQALT-CVEARBPZSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+]C(CC)CC)[C@@H](O)c1ccccc1 ZINC000793245903 644802486 /nfs/dbraw/zinc/80/24/86/644802486.db2.gz ZVOSBRLQMOQALT-HOTGVXAUSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@@H]([NH2+]C(CC)CC)[C@H](O)c1ccccc1 ZINC000793245904 644802414 /nfs/dbraw/zinc/80/24/14/644802414.db2.gz ZVOSBRLQMOQALT-HZPDHXFCSA-N 1 0 249.398 3.667 20 0 BHADRO CCC[C@H]([NH2+]C(CC)CC)[C@H](O)c1ccccc1 ZINC000793245905 644802822 /nfs/dbraw/zinc/80/28/22/644802822.db2.gz ZVOSBRLQMOQALT-JKSUJKDBSA-N 1 0 249.398 3.667 20 0 BHADRO CC(C)([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)F ZINC000793256733 583579322 /nfs/dbraw/zinc/57/93/22/583579322.db2.gz ZQWWDHVREQJDQO-QJPTWQEYSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(F)F ZINC000793256737 583579436 /nfs/dbraw/zinc/57/94/36/583579436.db2.gz ZQWWDHVREQJDQO-SDDRHHMPSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793268695 586015558 /nfs/dbraw/zinc/01/55/58/586015558.db2.gz IHNAERBCDPFWBC-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793268749 586015553 /nfs/dbraw/zinc/01/55/53/586015553.db2.gz IHNAERBCDPFWBC-JMGFVUJMSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793268756 586015598 /nfs/dbraw/zinc/01/55/98/586015598.db2.gz IHNAERBCDPFWBC-OYNZBZHQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793268760 586015525 /nfs/dbraw/zinc/01/55/25/586015525.db2.gz IHNAERBCDPFWBC-XTBFLFJDSA-N 1 0 247.357 3.850 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccnc1F ZINC000793280764 586015806 /nfs/dbraw/zinc/01/58/06/586015806.db2.gz LSBPTJRAPIQESB-AAEUAGOBSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccnc1F ZINC000793280773 586015647 /nfs/dbraw/zinc/01/56/47/586015647.db2.gz LSBPTJRAPIQESB-DGCLKSJQSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccnc1F ZINC000793280775 586015745 /nfs/dbraw/zinc/01/57/45/586015745.db2.gz LSBPTJRAPIQESB-WCQYABFASA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccnc1F ZINC000793280778 586015754 /nfs/dbraw/zinc/01/57/54/586015754.db2.gz LSBPTJRAPIQESB-YPMHNXCESA-N 1 0 238.350 3.525 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccnc1F ZINC000793282691 586016090 /nfs/dbraw/zinc/01/60/90/586016090.db2.gz WWOFLIAARHNKOR-GFCCVEGCSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccnc1F ZINC000793282698 586016159 /nfs/dbraw/zinc/01/61/59/586016159.db2.gz WWOFLIAARHNKOR-LBPRGKRZSA-N 1 0 238.350 3.669 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cccnc1F ZINC000793283034 586015980 /nfs/dbraw/zinc/01/59/80/586015980.db2.gz ZAYIMCWBNBJINW-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CC1CCC(C)(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000793287629 586015894 /nfs/dbraw/zinc/01/58/94/586015894.db2.gz FUEUHHKQHCZXPD-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccnc1F ZINC000793289246 586016311 /nfs/dbraw/zinc/01/63/11/586016311.db2.gz LNEXCGKPHLBKCN-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cccnc1F ZINC000793289251 586016403 /nfs/dbraw/zinc/01/64/03/586016403.db2.gz LNEXCGKPHLBKCN-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793309142 586016777 /nfs/dbraw/zinc/01/67/77/586016777.db2.gz LIFHUAHPKQGOAV-COLVAYQJSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309144 586016650 /nfs/dbraw/zinc/01/66/50/586016650.db2.gz LIFHUAHPKQGOAV-LKTVYLICSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793309146 586016805 /nfs/dbraw/zinc/01/68/05/586016805.db2.gz LIFHUAHPKQGOAV-NZVBXONLSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309148 586016729 /nfs/dbraw/zinc/01/67/29/586016729.db2.gz LIFHUAHPKQGOAV-VQISRLSMSA-N 1 0 233.330 3.591 20 0 BHADRO CC[N@@H+](Cc1cc(C)oc1C)CC1CCC1 ZINC000793350746 586017302 /nfs/dbraw/zinc/01/73/02/586017302.db2.gz HDYPOMZJLWVQLN-UHFFFAOYSA-N 1 0 221.344 3.518 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793350794 586017294 /nfs/dbraw/zinc/01/72/94/586017294.db2.gz HJAGEODVMZVIGC-CUBALJKWSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793350797 586017285 /nfs/dbraw/zinc/01/72/85/586017285.db2.gz HJAGEODVMZVIGC-JMGFVUJMSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793350801 586017313 /nfs/dbraw/zinc/01/73/13/586017313.db2.gz HJAGEODVMZVIGC-OYNZBZHQSA-N 1 0 247.357 3.850 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793350802 586017230 /nfs/dbraw/zinc/01/72/30/586017230.db2.gz HJAGEODVMZVIGC-XTBFLFJDSA-N 1 0 247.357 3.850 20 0 BHADRO FC1(F)CC[NH+](CC2CCCCCC2)CC1 ZINC000793351215 586017345 /nfs/dbraw/zinc/01/73/45/586017345.db2.gz DDAIGIYMUUSFBM-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO C[C@H](C[NH+]1CCC(F)(F)CC1)c1ccccc1 ZINC000793358214 586017300 /nfs/dbraw/zinc/01/73/00/586017300.db2.gz BWXNAGMNPYWZNI-GFCCVEGCSA-N 1 0 239.309 3.521 20 0 BHADRO C[C@@H](C[NH+]1CCC(F)(F)CC1)c1ccccc1 ZINC000793358216 586017623 /nfs/dbraw/zinc/01/76/23/586017623.db2.gz BWXNAGMNPYWZNI-LBPRGKRZSA-N 1 0 239.309 3.521 20 0 BHADRO Cc1ccc(C)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC000793358315 586017462 /nfs/dbraw/zinc/01/74/62/586017462.db2.gz DKFPGFLPAIXNBH-UHFFFAOYSA-N 1 0 239.309 3.535 20 0 BHADRO CC1(C)CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793358793 586017531 /nfs/dbraw/zinc/01/75/31/586017531.db2.gz IIAAJHAYUNVJHW-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CC1(C)CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793358796 586017584 /nfs/dbraw/zinc/01/75/84/586017584.db2.gz IIAAJHAYUNVJHW-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCC(C)(C)C1 ZINC000793359297 586017556 /nfs/dbraw/zinc/01/75/56/586017556.db2.gz VJQHYYCXGVFCRF-CYBMUJFWSA-N 1 0 248.370 3.563 20 0 BHADRO C[N@H+](Cc1coc(C2CC2)n1)[C@H]1CCC(C)(C)C1 ZINC000793359298 586017523 /nfs/dbraw/zinc/01/75/23/586017523.db2.gz VJQHYYCXGVFCRF-ZDUSSCGKSA-N 1 0 248.370 3.563 20 0 BHADRO CC1CCC(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000793359387 586017583 /nfs/dbraw/zinc/01/75/83/586017583.db2.gz LNIQEPVFZBSEIC-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO Cc1cccc(C)c1C[NH+]1CCC(F)(F)CC1 ZINC000793359476 586017585 /nfs/dbraw/zinc/01/75/85/586017585.db2.gz MTNBLPWHLORWMW-UHFFFAOYSA-N 1 0 239.309 3.535 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793359532 586017483 /nfs/dbraw/zinc/01/74/83/586017483.db2.gz OQLULBMOZUANOS-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793359533 586017544 /nfs/dbraw/zinc/01/75/44/586017544.db2.gz OQLULBMOZUANOS-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793359534 586017542 /nfs/dbraw/zinc/01/75/42/586017542.db2.gz OQLULBMOZUANOS-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793359536 586017433 /nfs/dbraw/zinc/01/74/33/586017433.db2.gz OQLULBMOZUANOS-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793361064 586017471 /nfs/dbraw/zinc/01/74/71/586017471.db2.gz CKFTVOLLOKABHE-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793361065 586017591 /nfs/dbraw/zinc/01/75/91/586017591.db2.gz CKFTVOLLOKABHE-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793361066 586017500 /nfs/dbraw/zinc/01/75/00/586017500.db2.gz CKFTVOLLOKABHE-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@H]1CCC[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000793361067 586017413 /nfs/dbraw/zinc/01/74/13/586017413.db2.gz CKFTVOLLOKABHE-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361347 586017618 /nfs/dbraw/zinc/01/76/18/586017618.db2.gz GTDCPCCMVUUVDX-CHWSQXEVSA-N 1 0 243.341 3.710 20 0 BHADRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361355 586017567 /nfs/dbraw/zinc/01/75/67/586017567.db2.gz GTDCPCCMVUUVDX-OLZOCXBDSA-N 1 0 243.341 3.710 20 0 BHADRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361357 586017093 /nfs/dbraw/zinc/01/70/93/586017093.db2.gz GTDCPCCMVUUVDX-QWHCGFSZSA-N 1 0 243.341 3.710 20 0 BHADRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361358 586017006 /nfs/dbraw/zinc/01/70/06/586017006.db2.gz GTDCPCCMVUUVDX-STQMWFEESA-N 1 0 243.341 3.710 20 0 BHADRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361943 586017464 /nfs/dbraw/zinc/01/74/64/586017464.db2.gz NIWWDIQCGJCOOB-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361945 586017575 /nfs/dbraw/zinc/01/75/75/586017575.db2.gz NIWWDIQCGJCOOB-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361946 586017633 /nfs/dbraw/zinc/01/76/33/586017633.db2.gz NIWWDIQCGJCOOB-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(F)(F)CC1 ZINC000793361948 586017642 /nfs/dbraw/zinc/01/76/42/586017642.db2.gz NIWWDIQCGJCOOB-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO CC1(C)CCC(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000793361993 586017422 /nfs/dbraw/zinc/01/74/22/586017422.db2.gz OCHNNZNDSWYFCF-UHFFFAOYSA-N 1 0 245.357 3.934 20 0 BHADRO Cc1cc(C[NH+]2CCC(F)(F)CC2)c(C)s1 ZINC000793362303 586017654 /nfs/dbraw/zinc/01/76/54/586017654.db2.gz QDAHPGOSLHDZBW-UHFFFAOYSA-N 1 0 245.338 3.596 20 0 BHADRO CCc1ccc(C[NH+]2CCC(F)(F)CC2)s1 ZINC000793362784 586017439 /nfs/dbraw/zinc/01/74/39/586017439.db2.gz VPTRRBRHFLBGGO-UHFFFAOYSA-N 1 0 245.338 3.542 20 0 BHADRO Cc1ccc(C[NH+]2CCC(F)(F)CC2)cc1C ZINC000793362833 586017491 /nfs/dbraw/zinc/01/74/91/586017491.db2.gz WPEFPZXTGNUUSJ-UHFFFAOYSA-N 1 0 239.309 3.535 20 0 BHADRO FC1(F)CC[NH+](CCC2CCCCC2)CC1 ZINC000793362991 586017582 /nfs/dbraw/zinc/01/75/82/586017582.db2.gz ZGEUMHSVRARQLJ-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000793369761 586017857 /nfs/dbraw/zinc/01/78/57/586017857.db2.gz LJXHXOLKHDERKY-CYBMUJFWSA-N 1 0 221.344 3.538 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000793369762 586017935 /nfs/dbraw/zinc/01/79/35/586017935.db2.gz LJXHXOLKHDERKY-ZDUSSCGKSA-N 1 0 221.344 3.538 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000793386755 586018089 /nfs/dbraw/zinc/01/80/89/586018089.db2.gz ZBNRFDILZDFMOM-HQRZJTNHSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000793386757 586018211 /nfs/dbraw/zinc/01/82/11/586018211.db2.gz ZBNRFDILZDFMOM-LTZCYQRMSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000793386759 586018133 /nfs/dbraw/zinc/01/81/33/586018133.db2.gz ZBNRFDILZDFMOM-LVGORTOPSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000793386760 586018204 /nfs/dbraw/zinc/01/82/04/586018204.db2.gz ZBNRFDILZDFMOM-PZTHBURQSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1cc(C[N@H+](CC2CC2)C2CCC2)c(C)o1 ZINC000793393121 586018012 /nfs/dbraw/zinc/01/80/12/586018012.db2.gz COPNCNPVIDEKTH-UHFFFAOYSA-N 1 0 233.355 3.661 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1 ZINC000793526131 586021771 /nfs/dbraw/zinc/02/17/71/586021771.db2.gz KBZZUZFETCYRQR-BXUZGUMPSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)c1cccc(F)c1 ZINC000793526132 586021655 /nfs/dbraw/zinc/02/16/55/586021655.db2.gz KBZZUZFETCYRQR-FZMZJTMJSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)c1cccc(F)c1 ZINC000793526135 586021622 /nfs/dbraw/zinc/02/16/22/586021622.db2.gz KBZZUZFETCYRQR-RISCZKNCSA-N 1 0 235.346 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)c1cccc(F)c1 ZINC000793526137 586021837 /nfs/dbraw/zinc/02/18/37/586021837.db2.gz KBZZUZFETCYRQR-SMDDNHRTSA-N 1 0 235.346 3.707 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000793530000 586021949 /nfs/dbraw/zinc/02/19/49/586021949.db2.gz VQGCRCLDORZBDW-HNNXBMFYSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000793530003 586021926 /nfs/dbraw/zinc/02/19/26/586021926.db2.gz VQGCRCLDORZBDW-OAHLLOKOSA-N 1 0 240.350 3.513 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000793536753 711776723 /nfs/dbraw/zinc/77/67/23/711776723.db2.gz VFNVIOLLTZGGFD-KBPBESRZSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000793536754 711776717 /nfs/dbraw/zinc/77/67/17/711776717.db2.gz VFNVIOLLTZGGFD-KGLIPLIRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccn1 ZINC000793536755 711776752 /nfs/dbraw/zinc/77/67/52/711776752.db2.gz VFNVIOLLTZGGFD-UONOGXRCSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccn1 ZINC000793536756 711776772 /nfs/dbraw/zinc/77/67/72/711776772.db2.gz VFNVIOLLTZGGFD-ZIAGYGMSSA-N 1 0 232.371 3.557 20 0 BHADRO Cc1cccc(OCCC[NH2+][C@H]2CCC2(C)C)c1 ZINC000793536812 586022175 /nfs/dbraw/zinc/02/21/75/586022175.db2.gz YDCQLEMNGFCFIG-HNNXBMFYSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1cccc(OCCC[NH2+][C@@H]2CCC2(C)C)c1 ZINC000793536813 586022277 /nfs/dbraw/zinc/02/22/77/586022277.db2.gz YDCQLEMNGFCFIG-OAHLLOKOSA-N 1 0 247.382 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(F)n1 ZINC000793552610 586022695 /nfs/dbraw/zinc/02/26/95/586022695.db2.gz ZKSIAOKJWYAGEZ-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(F)n1 ZINC000793552611 586022863 /nfs/dbraw/zinc/02/28/63/586022863.db2.gz ZKSIAOKJWYAGEZ-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccnc1F ZINC000793564717 586023214 /nfs/dbraw/zinc/02/32/14/586023214.db2.gz JREVWSUHGGBJSP-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccnc1F ZINC000793564718 586023408 /nfs/dbraw/zinc/02/34/08/586023408.db2.gz JREVWSUHGGBJSP-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)C(C[NH+]1CCC(F)(F)CC1)C(C)C ZINC000793590856 586023761 /nfs/dbraw/zinc/02/37/61/586023761.db2.gz PBVJUVAIONUHTA-UHFFFAOYSA-N 1 0 233.346 3.646 20 0 BHADRO C[N@H+](C[C@@H]1CCC=CO1)C(C)(C)c1ccccc1 ZINC000793608478 586024075 /nfs/dbraw/zinc/02/40/75/586024075.db2.gz IZBUALYPKWUCMB-HNNXBMFYSA-N 1 0 245.366 3.546 20 0 BHADRO C[N@H+](C[C@H]1CCC=CO1)C(C)(C)c1ccccc1 ZINC000793608480 586023936 /nfs/dbraw/zinc/02/39/36/586023936.db2.gz IZBUALYPKWUCMB-OAHLLOKOSA-N 1 0 245.366 3.546 20 0 BHADRO C[N@H+](Cc1ccoc1)C(C)(C)c1ccccc1 ZINC000793609125 586023971 /nfs/dbraw/zinc/02/39/71/586023971.db2.gz OMVSHBNFVPVXIG-UHFFFAOYSA-N 1 0 229.323 3.647 20 0 BHADRO c1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)co1 ZINC000793620522 586024226 /nfs/dbraw/zinc/02/42/26/586024226.db2.gz PUYNUDAWNWBEKK-UHFFFAOYSA-N 1 0 239.318 3.569 20 0 BHADRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1coc(C2CC2)n1 ZINC000793997756 586029928 /nfs/dbraw/zinc/02/99/28/586029928.db2.gz IOTZWQWTQMZSKP-BXUZGUMPSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1coc(C2CC2)n1 ZINC000793997757 586029787 /nfs/dbraw/zinc/02/97/87/586029787.db2.gz IOTZWQWTQMZSKP-FZMZJTMJSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1coc(C2CC2)n1 ZINC000793997759 636065654 /nfs/dbraw/zinc/06/56/54/636065654.db2.gz IOTZWQWTQMZSKP-RISCZKNCSA-N 1 0 248.370 3.563 20 0 BHADRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1coc(C2CC2)n1 ZINC000793997810 636065942 /nfs/dbraw/zinc/06/59/42/636065942.db2.gz IOTZWQWTQMZSKP-SMDDNHRTSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)O[C@@H](C[N@@H+]1CCC1(C)C)c1ccccc1 ZINC000794412336 586039144 /nfs/dbraw/zinc/03/91/44/586039144.db2.gz FAWFSUVPQQDADD-HNNXBMFYSA-N 1 0 247.382 3.637 20 0 BHADRO CC(C)O[C@H](C[N@@H+]1CCC1(C)C)c1ccccc1 ZINC000794412337 586039084 /nfs/dbraw/zinc/03/90/84/586039084.db2.gz FAWFSUVPQQDADD-OAHLLOKOSA-N 1 0 247.382 3.637 20 0 BHADRO Cc1ccc(CC2CC[NH+](CCF)CC2)cc1C ZINC000794606745 586045922 /nfs/dbraw/zinc/04/59/22/586045922.db2.gz RGJFFVUACZDQPH-UHFFFAOYSA-N 1 0 249.373 3.527 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794610475 586045928 /nfs/dbraw/zinc/04/59/28/586045928.db2.gz RNVFGMZYCBGCSA-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO CCCCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794610477 586045753 /nfs/dbraw/zinc/04/57/53/586045753.db2.gz RNVFGMZYCBGCSA-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794827998 586049712 /nfs/dbraw/zinc/04/97/12/586049712.db2.gz NTAFWVAPZMLWNH-CYBMUJFWSA-N 1 0 247.382 3.926 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794827999 586049882 /nfs/dbraw/zinc/04/98/82/586049882.db2.gz NTAFWVAPZMLWNH-ZDUSSCGKSA-N 1 0 247.382 3.926 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1(C)CC1 ZINC000794829637 586049898 /nfs/dbraw/zinc/04/98/98/586049898.db2.gz VITSKYHPADLHST-HNNXBMFYSA-N 1 0 229.367 3.762 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC1(C)CC1 ZINC000794829638 586049845 /nfs/dbraw/zinc/04/98/45/586049845.db2.gz VITSKYHPADLHST-OAHLLOKOSA-N 1 0 229.367 3.762 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cccnc1F ZINC000794836620 586050249 /nfs/dbraw/zinc/05/02/49/586050249.db2.gz UOYBCYQBPLBDPQ-AAEUAGOBSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cccnc1F ZINC000794836621 586050475 /nfs/dbraw/zinc/05/04/75/586050475.db2.gz UOYBCYQBPLBDPQ-DGCLKSJQSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cccnc1F ZINC000794836622 586050518 /nfs/dbraw/zinc/05/05/18/586050518.db2.gz UOYBCYQBPLBDPQ-WCQYABFASA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cccnc1F ZINC000794836623 586050366 /nfs/dbraw/zinc/05/03/66/586050366.db2.gz UOYBCYQBPLBDPQ-YPMHNXCESA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)(C)SCC[NH+]1CCC(C2CC2)CC1 ZINC000794909219 586054251 /nfs/dbraw/zinc/05/42/51/586054251.db2.gz BTAKMCQHNVANLG-UHFFFAOYSA-N 1 0 241.444 3.640 20 0 BHADRO FCc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000794911285 586054697 /nfs/dbraw/zinc/05/46/97/586054697.db2.gz YUKCBEOWGHWVOS-UHFFFAOYSA-N 1 0 247.357 3.778 20 0 BHADRO Cc1c[nH+]ccc1N1Cc2ccccc2[C@H](C)C1 ZINC000795069211 586067669 /nfs/dbraw/zinc/06/76/69/586067669.db2.gz ZBPJJZUXKXEWPD-CYBMUJFWSA-N 1 0 238.334 3.514 20 0 BHADRO Cc1c[nH+]ccc1N1Cc2ccccc2[C@@H](C)C1 ZINC000795069217 586068118 /nfs/dbraw/zinc/06/81/18/586068118.db2.gz ZBPJJZUXKXEWPD-ZDUSSCGKSA-N 1 0 238.334 3.514 20 0 BHADRO CCCCCC[N@H+](C)Cc1occc1C ZINC000795151565 586069680 /nfs/dbraw/zinc/06/96/80/586069680.db2.gz JGDFCSVIUNKUCY-UHFFFAOYSA-N 1 0 209.333 3.600 20 0 BHADRO Cc1ccoc1C[N@H+](C)CCSC(C)(C)C ZINC000795181763 586070810 /nfs/dbraw/zinc/07/08/10/586070810.db2.gz ONABDVHISDXNSP-UHFFFAOYSA-N 1 0 241.400 3.552 20 0 BHADRO Cc1ccoc1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000795181830 586070759 /nfs/dbraw/zinc/07/07/59/586070759.db2.gz PJHASNXZNYYSMI-UHFFFAOYSA-N 1 0 247.313 3.690 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH+](C1CCC1)C1CCC1 ZINC000795457434 586079793 /nfs/dbraw/zinc/07/97/93/586079793.db2.gz GEJUSLABAZIFKE-SECBINFHSA-N 1 0 248.197 3.587 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH+](C1CCC1)C1CCC1 ZINC000795457435 586079946 /nfs/dbraw/zinc/07/99/46/586079946.db2.gz GEJUSLABAZIFKE-VIFPVBQESA-N 1 0 248.197 3.587 20 0 BHADRO CCCCCC[NH+](C1CCC1)C1CCC1 ZINC000795457986 586080148 /nfs/dbraw/zinc/08/01/48/586080148.db2.gz JFNPJJUBUFAUQX-UHFFFAOYSA-N 1 0 209.377 3.974 20 0 BHADRO c1csc(CC[NH+](C2CCC2)C2CCC2)c1 ZINC000795459796 586079551 /nfs/dbraw/zinc/07/95/51/586079551.db2.gz UZCDDOHCSDWDBC-UHFFFAOYSA-N 1 0 235.396 3.698 20 0 BHADRO CC(C)c1cnc(C[NH+](C2CCC2)C2CCC2)o1 ZINC000795470888 586080435 /nfs/dbraw/zinc/08/04/35/586080435.db2.gz KFTCDNLGQUOJCH-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO CC(C)(C)SCC[NH+](C1CCC1)C1CCC1 ZINC000795487200 586081319 /nfs/dbraw/zinc/08/13/19/586081319.db2.gz GXPVMIPXBQCOSP-UHFFFAOYSA-N 1 0 241.444 3.925 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H](CSC)C1 ZINC000795602239 583809227 /nfs/dbraw/zinc/80/92/27/583809227.db2.gz WKJHWYKJOOGCHA-CYBMUJFWSA-N 1 0 229.433 3.642 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H](CSC)C1 ZINC000795602243 583809217 /nfs/dbraw/zinc/80/92/17/583809217.db2.gz WKJHWYKJOOGCHA-ZDUSSCGKSA-N 1 0 229.433 3.642 20 0 BHADRO c1cncc([C@@H]([NH2+]CCC2CCC2)C2CCC2)c1 ZINC000795801564 586092622 /nfs/dbraw/zinc/09/26/22/586092622.db2.gz NYECHQVZLXHKAF-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cncc([C@H]([NH2+]CCC2CCC2)C2CCC2)c1 ZINC000795801868 586092735 /nfs/dbraw/zinc/09/27/35/586092735.db2.gz NYECHQVZLXHKAF-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO Cc1ccc(C2=CC[N@H+](CCCCF)CC2)cc1 ZINC000795847301 586093235 /nfs/dbraw/zinc/09/32/35/586093235.db2.gz AQAZAZXNMNZTOT-UHFFFAOYSA-N 1 0 247.357 3.834 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[NH+]1C2CCC1CC2 ZINC000795862298 586093629 /nfs/dbraw/zinc/09/36/29/586093629.db2.gz STEJWKXEQNXJMV-PIMMBPRGSA-N 1 0 247.769 3.954 20 0 BHADRO Clc1ccc2c(c1)CC[C@H]2[NH+]1C2CCC1CC2 ZINC000795862300 586093618 /nfs/dbraw/zinc/09/36/18/586093618.db2.gz STEJWKXEQNXJMV-SSDMNJCBSA-N 1 0 247.769 3.954 20 0 BHADRO C[N@H+](CCCCF)C1CCCCCCC1 ZINC000795879344 586093818 /nfs/dbraw/zinc/09/38/18/586093818.db2.gz JOPACXZDCICKIJ-UHFFFAOYSA-N 1 0 215.356 3.781 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc21 ZINC000795925952 586094828 /nfs/dbraw/zinc/09/48/28/586094828.db2.gz YFKZPVCYCBYGDP-HZMBPMFUSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc21 ZINC000795925966 586094750 /nfs/dbraw/zinc/09/47/50/586094750.db2.gz YFKZPVCYCBYGDP-IINYFYTJSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc21 ZINC000795925969 586094841 /nfs/dbraw/zinc/09/48/41/586094841.db2.gz YFKZPVCYCBYGDP-QMTHXVAHSA-N 1 0 235.758 3.812 20 0 BHADRO C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc21 ZINC000795925973 586094492 /nfs/dbraw/zinc/09/44/92/586094492.db2.gz YFKZPVCYCBYGDP-YGRLFVJLSA-N 1 0 235.758 3.812 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1ccon1 ZINC000795935246 586094852 /nfs/dbraw/zinc/09/48/52/586094852.db2.gz LTKYXXFTDCJQBW-CYBMUJFWSA-N 1 0 236.359 3.537 20 0 BHADRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1ccon1 ZINC000795935247 586094811 /nfs/dbraw/zinc/09/48/11/586094811.db2.gz LTKYXXFTDCJQBW-ZDUSSCGKSA-N 1 0 236.359 3.537 20 0 BHADRO CCN(CCCCF)c1ccc(C)cc1 ZINC000795946714 586095003 /nfs/dbraw/zinc/09/50/03/586095003.db2.gz XOAHNYVMVGBUMV-UHFFFAOYSA-N 1 0 209.308 3.571 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)[C@H]1C ZINC000796003140 586095874 /nfs/dbraw/zinc/09/58/74/586095874.db2.gz BLFIALGQTAJUOV-HXFVIYLFSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)[C@@H]1C ZINC000796003149 586095812 /nfs/dbraw/zinc/09/58/12/586095812.db2.gz BLFIALGQTAJUOV-OTQSUOKKSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)[C@H]1C ZINC000796003152 583844600 /nfs/dbraw/zinc/84/46/00/583844600.db2.gz BLFIALGQTAJUOV-SJGRQUNQSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)[C@@H]1C ZINC000796003164 583844575 /nfs/dbraw/zinc/84/45/75/583844575.db2.gz BLFIALGQTAJUOV-VFPQWFPESA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCc2cc(Cl)ccc21 ZINC000796051177 586096994 /nfs/dbraw/zinc/09/69/94/586096994.db2.gz NVBARPRZGVEWAK-GPCCPHFNSA-N 1 0 235.758 3.810 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1[C@H]1CCc2cc(Cl)ccc21 ZINC000796051183 586097020 /nfs/dbraw/zinc/09/70/20/586097020.db2.gz NVBARPRZGVEWAK-RULNRJAQSA-N 1 0 235.758 3.810 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000796194616 586098796 /nfs/dbraw/zinc/09/87/96/586098796.db2.gz BERUGOXKNJSVRC-AWEZNQCLSA-N 1 0 235.375 3.517 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000796194617 586098517 /nfs/dbraw/zinc/09/85/17/586098517.db2.gz BERUGOXKNJSVRC-CQSZACIVSA-N 1 0 235.375 3.517 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)C1(C)CC1 ZINC000796280932 586099921 /nfs/dbraw/zinc/09/99/21/586099921.db2.gz HDESBQQBQVBBCK-LLVKDONJSA-N 1 0 229.323 3.711 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)C1(C)CC1 ZINC000796280934 586099835 /nfs/dbraw/zinc/09/98/35/586099835.db2.gz HDESBQQBQVBBCK-NSHDSACASA-N 1 0 229.323 3.711 20 0 BHADRO CSCC[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000796308200 586099990 /nfs/dbraw/zinc/09/99/90/586099990.db2.gz ANEDGHDHRRYKSF-LLVKDONJSA-N 1 0 249.379 3.664 20 0 BHADRO CSCC[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000796308210 586100115 /nfs/dbraw/zinc/10/01/15/586100115.db2.gz ANEDGHDHRRYKSF-NSHDSACASA-N 1 0 249.379 3.664 20 0 BHADRO CSC(C)(C)C[NH2+]Cc1ccc2occc2c1 ZINC000796317164 586100375 /nfs/dbraw/zinc/10/03/75/586100375.db2.gz WGCYOYCFMKYQSS-UHFFFAOYSA-N 1 0 249.379 3.664 20 0 BHADRO c1cc2cc(C[NH2+]CCC3CCC3)ccc2o1 ZINC000796326557 586100978 /nfs/dbraw/zinc/10/09/78/586100978.db2.gz ZVZYMOQVTOVKSL-UHFFFAOYSA-N 1 0 229.323 3.713 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccc[nH]1 ZINC000796341438 586101362 /nfs/dbraw/zinc/10/13/62/586101362.db2.gz XOJLNWQFMVIJGS-LLVKDONJSA-N 1 0 240.306 3.612 20 0 BHADRO C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccc[nH]1 ZINC000796341439 586101396 /nfs/dbraw/zinc/10/13/96/586101396.db2.gz XOJLNWQFMVIJGS-NSHDSACASA-N 1 0 240.306 3.612 20 0 BHADRO c1cc2cc(C[NH2+]C34CCC(CC3)C4)ccc2o1 ZINC000796343820 586101296 /nfs/dbraw/zinc/10/12/96/586101296.db2.gz UDFYQCLCWPKOJU-UHFFFAOYSA-N 1 0 241.334 3.855 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CC[C@@H]3C3CC3)ccc2o1 ZINC000796368760 586101815 /nfs/dbraw/zinc/10/18/15/586101815.db2.gz XKDQLQZKAILWIV-CABCVRRESA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cc(C[NH2+][C@H]3CC[C@H]3C3CC3)ccc2o1 ZINC000796368761 586101769 /nfs/dbraw/zinc/10/17/69/586101769.db2.gz XKDQLQZKAILWIV-GJZGRUSLSA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)ccc2o1 ZINC000796368762 586101926 /nfs/dbraw/zinc/10/19/26/586101926.db2.gz XKDQLQZKAILWIV-HUUCEWRRSA-N 1 0 241.334 3.711 20 0 BHADRO c1cc2cc(C[NH2+][C@@H]3CC[C@H]3C3CC3)ccc2o1 ZINC000796368763 586101739 /nfs/dbraw/zinc/10/17/39/586101739.db2.gz XKDQLQZKAILWIV-LSDHHAIUSA-N 1 0 241.334 3.711 20 0 BHADRO Cl/C=C(/Cl)C[NH+]1CCC2(CCC2)CC1 ZINC000796512625 586105789 /nfs/dbraw/zinc/10/57/89/586105789.db2.gz GNWGJFDQYWONIX-CSKARUKUSA-N 1 0 234.170 3.572 20 0 BHADRO Cl/C=C(\Cl)C[NH+]1CCC2(CCC2)CC1 ZINC000796512626 586105848 /nfs/dbraw/zinc/10/58/48/586105848.db2.gz GNWGJFDQYWONIX-NTMALXAHSA-N 1 0 234.170 3.572 20 0 BHADRO c1csc(CC[NH+]2CCC3(CCC3)CC2)c1 ZINC000796514218 586105798 /nfs/dbraw/zinc/10/57/98/586105798.db2.gz VYEPNUCXWZNGST-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO FCc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000796514691 586105780 /nfs/dbraw/zinc/10/57/80/586105780.db2.gz PJQIZEOAANMVBS-UHFFFAOYSA-N 1 0 247.357 3.922 20 0 BHADRO CC(C)(C)SCC[NH+]1CCC2(CCC2)CC1 ZINC000796514755 586105672 /nfs/dbraw/zinc/10/56/72/586105672.db2.gz QMNZVLOWUSAHQC-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@@H]3CC[C@H]3C)cc2c1 ZINC000796527446 586105998 /nfs/dbraw/zinc/10/59/98/586105998.db2.gz YZBQIGPXBFHEIO-BXUZGUMPSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@H]3CC[C@@H]3C)cc2c1 ZINC000796527447 586106124 /nfs/dbraw/zinc/10/61/24/586106124.db2.gz YZBQIGPXBFHEIO-FZMZJTMJSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@H]3CC[C@H]3C)cc2c1 ZINC000796527448 586105898 /nfs/dbraw/zinc/10/58/98/586105898.db2.gz YZBQIGPXBFHEIO-RISCZKNCSA-N 1 0 229.323 3.629 20 0 BHADRO Cc1ccc2oc(C[NH2+][C@@H]3CC[C@@H]3C)cc2c1 ZINC000796527449 586106193 /nfs/dbraw/zinc/10/61/93/586106193.db2.gz YZBQIGPXBFHEIO-SMDDNHRTSA-N 1 0 229.323 3.629 20 0 BHADRO C[N@H+](C/C(Cl)=C\Cl)[C@H]1CCC(C)(C)C1 ZINC000796530056 586106038 /nfs/dbraw/zinc/10/60/38/586106038.db2.gz FHVJPJCLDRJGTJ-PCYYEKQGSA-N 1 0 236.186 3.816 20 0 BHADRO C[N@H+](C/C(Cl)=C/Cl)[C@H]1CCC(C)(C)C1 ZINC000796530068 586106054 /nfs/dbraw/zinc/10/60/54/586106054.db2.gz FHVJPJCLDRJGTJ-RNKPRXRFSA-N 1 0 236.186 3.816 20 0 BHADRO C[N@H+](C/C(Cl)=C\Cl)[C@@H]1CCC(C)(C)C1 ZINC000796530070 586106066 /nfs/dbraw/zinc/10/60/66/586106066.db2.gz FHVJPJCLDRJGTJ-TTZKWOQHSA-N 1 0 236.186 3.816 20 0 BHADRO C[N@H+](C/C(Cl)=C/Cl)[C@@H]1CCC(C)(C)C1 ZINC000796530072 586106100 /nfs/dbraw/zinc/10/61/00/586106100.db2.gz FHVJPJCLDRJGTJ-UJICNMFASA-N 1 0 236.186 3.816 20 0 BHADRO C[N@H+](CCC(=O)C(C)(C)C)[C@@H]1CCC(C)(C)C1 ZINC000796531961 586105951 /nfs/dbraw/zinc/10/59/51/586105951.db2.gz NICZSKNNIRGKNA-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO C[N@H+](CCC(=O)C(C)(C)C)[C@H]1CCC(C)(C)C1 ZINC000796531962 586105882 /nfs/dbraw/zinc/10/58/82/586105882.db2.gz NICZSKNNIRGKNA-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[N@@H+](Cc1ccc(CF)cc1)CC1CCC1 ZINC000796535332 586106006 /nfs/dbraw/zinc/10/60/06/586106006.db2.gz ZDBXYJIWJKAFJQ-UHFFFAOYSA-N 1 0 235.346 3.778 20 0 BHADRO Cc1cccc([C@@H](C)[NH+]2CCC(F)(F)CC2)c1 ZINC000796538286 586106237 /nfs/dbraw/zinc/10/62/37/586106237.db2.gz GBVGSSQHHDDYPM-GFCCVEGCSA-N 1 0 239.309 3.787 20 0 BHADRO Cc1cccc([C@H](C)[NH+]2CCC(F)(F)CC2)c1 ZINC000796538289 586106283 /nfs/dbraw/zinc/10/62/83/586106283.db2.gz GBVGSSQHHDDYPM-LBPRGKRZSA-N 1 0 239.309 3.787 20 0 BHADRO CCC(C)(C)CC[NH+]1CCC(F)(F)CC1 ZINC000796539983 586106450 /nfs/dbraw/zinc/10/64/50/586106450.db2.gz ZJMSHQMALDNKTB-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO FC1(F)CC[NH+](CCCC2CCCC2)CC1 ZINC000796540859 586106263 /nfs/dbraw/zinc/10/62/63/586106263.db2.gz XTDCMQWNCQDHQK-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(F)(F)CC2)C1 ZINC000796541301 586106376 /nfs/dbraw/zinc/10/63/76/586106376.db2.gz PVZMFEOUEVLNAS-CHWSQXEVSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(F)(F)CC2)C1 ZINC000796541302 586106397 /nfs/dbraw/zinc/10/63/97/586106397.db2.gz PVZMFEOUEVLNAS-OLZOCXBDSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCC[C@H](CC[NH+]2CCC(F)(F)CC2)C1 ZINC000796541303 586106540 /nfs/dbraw/zinc/10/65/40/586106540.db2.gz PVZMFEOUEVLNAS-QWHCGFSZSA-N 1 0 245.357 3.934 20 0 BHADRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(F)(F)CC2)C1 ZINC000796541304 586106364 /nfs/dbraw/zinc/10/63/64/586106364.db2.gz PVZMFEOUEVLNAS-STQMWFEESA-N 1 0 245.357 3.934 20 0 BHADRO C[C@@H](c1ccccc1F)[NH+]1CCC(F)(F)CC1 ZINC000796541360 586106285 /nfs/dbraw/zinc/10/62/85/586106285.db2.gz RQXXJKCWUNGTRH-JTQLQIEISA-N 1 0 243.272 3.618 20 0 BHADRO C[C@H](c1ccccc1F)[NH+]1CCC(F)(F)CC1 ZINC000796541361 586106451 /nfs/dbraw/zinc/10/64/51/586106451.db2.gz RQXXJKCWUNGTRH-SNVBAGLBSA-N 1 0 243.272 3.618 20 0 BHADRO CCCC[C@@H](CC)C[NH+]1CCC(F)(F)CC1 ZINC000796541979 586106254 /nfs/dbraw/zinc/10/62/54/586106254.db2.gz QPCKRTVMJWNUTA-GFCCVEGCSA-N 1 0 233.346 3.934 20 0 BHADRO CCCC[C@H](CC)C[NH+]1CCC(F)(F)CC1 ZINC000796541980 586106513 /nfs/dbraw/zinc/10/65/13/586106513.db2.gz QPCKRTVMJWNUTA-LBPRGKRZSA-N 1 0 233.346 3.934 20 0 BHADRO Cl/C=C(\Cl)C[N@H+](CC1CC1)CC1CCC1 ZINC000796573301 586107108 /nfs/dbraw/zinc/10/71/08/586107108.db2.gz CDBNRIOCTXZWOG-SDQBBNPISA-N 1 0 248.197 3.818 20 0 BHADRO Cl/C=C(/Cl)C[N@H+](CC1CC1)CC1CCC1 ZINC000796573304 586107133 /nfs/dbraw/zinc/10/71/33/586107133.db2.gz CDBNRIOCTXZWOG-WUXMJOGZSA-N 1 0 248.197 3.818 20 0 BHADRO Cl/C=C(\Cl)C[N@H+](CC1CC1)C1CCC1 ZINC000796576293 586107445 /nfs/dbraw/zinc/10/74/45/586107445.db2.gz AYSIESBXGVLHDA-POHAHGRESA-N 1 0 234.170 3.570 20 0 BHADRO Cl/C=C(/Cl)C[N@H+](CC1CC1)C1CCC1 ZINC000796576294 586107531 /nfs/dbraw/zinc/10/75/31/586107531.db2.gz AYSIESBXGVLHDA-UXBLZVDNSA-N 1 0 234.170 3.570 20 0 BHADRO CC(C)c1cnc(C[N@H+](CC2CC2)C2CCC2)o1 ZINC000796576396 586107707 /nfs/dbraw/zinc/10/77/07/586107707.db2.gz CKCJBDSSDURAIB-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO c1csc(CC[N@H+](CC2CC2)C2CCC2)c1 ZINC000796577475 586107458 /nfs/dbraw/zinc/10/74/58/586107458.db2.gz GMMUZSRYILBSIL-UHFFFAOYSA-N 1 0 235.396 3.555 20 0 BHADRO FCc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000796577580 586107372 /nfs/dbraw/zinc/10/73/72/586107372.db2.gz HNXUERWVZARTKX-UHFFFAOYSA-N 1 0 247.357 3.921 20 0 BHADRO c1csc(CC[N@H+](CC2CC2)CC2CCC2)c1 ZINC000796580849 586107584 /nfs/dbraw/zinc/10/75/84/586107584.db2.gz MDRMLEQIEAMXEX-UHFFFAOYSA-N 1 0 249.423 3.803 20 0 BHADRO CC1=C(C)C[N@H+](Cc2ccc(CF)cc2)CC1 ZINC000796593391 586108350 /nfs/dbraw/zinc/10/83/50/586108350.db2.gz MBBFBTRDECLZHY-UHFFFAOYSA-N 1 0 233.330 3.698 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](C/C=C\Cl)C1 ZINC000796620586 586108416 /nfs/dbraw/zinc/10/84/16/586108416.db2.gz QEMWSSIZZVHNAW-GPTAZTBJSA-N 1 0 235.758 3.822 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](C/C=C\Cl)C1 ZINC000796620593 586108641 /nfs/dbraw/zinc/10/86/41/586108641.db2.gz QEMWSSIZZVHNAW-HPFKKHKDSA-N 1 0 235.758 3.822 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](C/C=C/Cl)C1 ZINC000796620595 586108548 /nfs/dbraw/zinc/10/85/48/586108548.db2.gz QEMWSSIZZVHNAW-MZMNXDGSSA-N 1 0 235.758 3.822 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](C/C=C/Cl)C1 ZINC000796620596 586108555 /nfs/dbraw/zinc/10/85/55/586108555.db2.gz QEMWSSIZZVHNAW-VMIDCOPPSA-N 1 0 235.758 3.822 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000796627126 586108503 /nfs/dbraw/zinc/10/85/03/586108503.db2.gz RSEJVZRCEKYLCX-JTQLQIEISA-N 1 0 242.313 3.591 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1c(F)cncc1F ZINC000796627129 586108713 /nfs/dbraw/zinc/10/87/13/586108713.db2.gz RSEJVZRCEKYLCX-SNVBAGLBSA-N 1 0 242.313 3.591 20 0 BHADRO CCCCCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000796664392 586109577 /nfs/dbraw/zinc/10/95/77/586109577.db2.gz WJDGRFSOFSYLSP-UHFFFAOYSA-N 1 0 238.375 3.696 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000796665084 586109783 /nfs/dbraw/zinc/10/97/83/586109783.db2.gz DOCGAVVTQCGDNZ-CYBMUJFWSA-N 1 0 237.391 3.667 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000796665085 586109810 /nfs/dbraw/zinc/10/98/10/586109810.db2.gz DOCGAVVTQCGDNZ-ZDUSSCGKSA-N 1 0 237.391 3.667 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000796704837 586110440 /nfs/dbraw/zinc/11/04/40/586110440.db2.gz BUKTYKYKLQVIJV-DAXOMENPSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000796704838 586110561 /nfs/dbraw/zinc/11/05/61/586110561.db2.gz BUKTYKYKLQVIJV-KCXAZCMYSA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000796704839 586110475 /nfs/dbraw/zinc/11/04/75/586110475.db2.gz BUKTYKYKLQVIJV-UHOFOFEASA-N 1 0 249.373 3.953 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000796704840 586110547 /nfs/dbraw/zinc/11/05/47/586110547.db2.gz BUKTYKYKLQVIJV-WQVCFCJDSA-N 1 0 249.373 3.953 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccccn1 ZINC000796751604 644812958 /nfs/dbraw/zinc/81/29/58/644812958.db2.gz AHUJGYOURDEURQ-DZKIICNBSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccccn1 ZINC000796751606 644813419 /nfs/dbraw/zinc/81/34/19/644813419.db2.gz AHUJGYOURDEURQ-FMKPAKJESA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccccn1 ZINC000796751607 644813137 /nfs/dbraw/zinc/81/31/37/644813137.db2.gz AHUJGYOURDEURQ-LZWOXQAQSA-N 1 0 246.398 3.947 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccccn1 ZINC000796751609 644812787 /nfs/dbraw/zinc/81/27/87/644812787.db2.gz AHUJGYOURDEURQ-YCPHGPKFSA-N 1 0 246.398 3.947 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000796775166 586112341 /nfs/dbraw/zinc/11/23/41/586112341.db2.gz JGDYPBAMBAVAOI-DOMZBBRYSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000796775170 586112240 /nfs/dbraw/zinc/11/22/40/586112240.db2.gz JGDYPBAMBAVAOI-IUODEOHRSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000796775173 586112326 /nfs/dbraw/zinc/11/23/26/586112326.db2.gz JGDYPBAMBAVAOI-SWLSCSKDSA-N 1 0 235.346 3.658 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000796775177 586112263 /nfs/dbraw/zinc/11/22/63/586112263.db2.gz JGDYPBAMBAVAOI-WFASDCNBSA-N 1 0 235.346 3.658 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000796791729 586112880 /nfs/dbraw/zinc/11/28/80/586112880.db2.gz GSKXBMRPEPJZRT-GFCCVEGCSA-N 1 0 237.391 3.667 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000796791730 586112857 /nfs/dbraw/zinc/11/28/57/586112857.db2.gz GSKXBMRPEPJZRT-LBPRGKRZSA-N 1 0 237.391 3.667 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000796798704 586113247 /nfs/dbraw/zinc/11/32/47/586113247.db2.gz POHJKAIDUGZZMK-CABCVRRESA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000796798705 586113253 /nfs/dbraw/zinc/11/32/53/586113253.db2.gz POHJKAIDUGZZMK-GJZGRUSLSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000796798706 586113187 /nfs/dbraw/zinc/11/31/87/586113187.db2.gz POHJKAIDUGZZMK-HUUCEWRRSA-N 1 0 247.382 3.528 20 0 BHADRO COc1ccc(C)cc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000796798708 586113231 /nfs/dbraw/zinc/11/32/31/586113231.db2.gz POHJKAIDUGZZMK-LSDHHAIUSA-N 1 0 247.382 3.528 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000797024714 586119137 /nfs/dbraw/zinc/11/91/37/586119137.db2.gz VXQQMSOVZSYFSN-AWEZNQCLSA-N 1 0 248.414 3.881 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000797024715 586119086 /nfs/dbraw/zinc/11/90/86/586119086.db2.gz VXQQMSOVZSYFSN-CQSZACIVSA-N 1 0 248.414 3.881 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797056488 712425149 /nfs/dbraw/zinc/42/51/49/712425149.db2.gz CNUQEZLCTDFASA-BPUTZDHNSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797056491 712425064 /nfs/dbraw/zinc/42/50/64/712425064.db2.gz CNUQEZLCTDFASA-CWRNSKLLSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797056494 712425101 /nfs/dbraw/zinc/42/51/01/712425101.db2.gz CNUQEZLCTDFASA-KBMXLJTQSA-N 1 0 249.398 3.585 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797056495 712425194 /nfs/dbraw/zinc/42/51/94/712425194.db2.gz CNUQEZLCTDFASA-VNQPRFMTSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797064364 586119573 /nfs/dbraw/zinc/11/95/73/586119573.db2.gz UJPSNVNLVSDXDE-DZKIICNBSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797064366 586119592 /nfs/dbraw/zinc/11/95/92/586119592.db2.gz UJPSNVNLVSDXDE-LZWOXQAQSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797064368 586119621 /nfs/dbraw/zinc/11/96/21/586119621.db2.gz UJPSNVNLVSDXDE-OFQRWUPVSA-N 1 0 249.398 3.585 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797064370 586119457 /nfs/dbraw/zinc/11/94/57/586119457.db2.gz UJPSNVNLVSDXDE-SQWLQELKSA-N 1 0 249.398 3.585 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000797086839 586119952 /nfs/dbraw/zinc/11/99/52/586119952.db2.gz PYJCKRVORFHNAE-ILXRZTDVSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000797086841 586119911 /nfs/dbraw/zinc/11/99/11/586119911.db2.gz PYJCKRVORFHNAE-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000797086843 586120032 /nfs/dbraw/zinc/12/00/32/586120032.db2.gz PYJCKRVORFHNAE-QLFBSQMISA-N 1 0 241.419 3.608 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000797086845 712425184 /nfs/dbraw/zinc/42/51/84/712425184.db2.gz PYJCKRVORFHNAE-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C ZINC000797130515 586120803 /nfs/dbraw/zinc/12/08/03/586120803.db2.gz AYIOMDUDMCKEBH-BMFZPTHFSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C ZINC000797130516 586120879 /nfs/dbraw/zinc/12/08/79/586120879.db2.gz AYIOMDUDMCKEBH-BPUTZDHNSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000797130517 586120769 /nfs/dbraw/zinc/12/07/69/586120769.db2.gz AYIOMDUDMCKEBH-IMJJTQAJSA-N 1 0 231.383 3.642 20 0 BHADRO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C ZINC000797130518 586120843 /nfs/dbraw/zinc/12/08/43/586120843.db2.gz AYIOMDUDMCKEBH-KBMXLJTQSA-N 1 0 231.383 3.642 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1C ZINC000797131839 586120760 /nfs/dbraw/zinc/12/07/60/586120760.db2.gz YULOPBOZOWUSRH-DGFSRKRXSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1C ZINC000797131844 586120802 /nfs/dbraw/zinc/12/08/02/586120802.db2.gz YULOPBOZOWUSRH-RIEGTJTDSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1C ZINC000797131846 583908680 /nfs/dbraw/zinc/90/86/80/583908680.db2.gz YULOPBOZOWUSRH-VZJVUDMVSA-N 1 0 247.382 3.761 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1C ZINC000797131859 583908587 /nfs/dbraw/zinc/90/85/87/583908587.db2.gz YULOPBOZOWUSRH-XEGUGMAKSA-N 1 0 247.382 3.761 20 0 BHADRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(CF)cc2)C1 ZINC000797526111 586128430 /nfs/dbraw/zinc/12/84/30/586128430.db2.gz ILYSSPFWFVNOAL-GFCCVEGCSA-N 1 0 233.330 3.554 20 0 BHADRO CC1=C[C@H](C)C[N@H+](Cc2ccc(CF)cc2)C1 ZINC000797526112 586128505 /nfs/dbraw/zinc/12/85/05/586128505.db2.gz ILYSSPFWFVNOAL-LBPRGKRZSA-N 1 0 233.330 3.554 20 0 BHADRO c1ccc(CSCC[NH2+]CCC2CCC2)cc1 ZINC000797600805 586129518 /nfs/dbraw/zinc/12/95/18/586129518.db2.gz FUNBMZOCAPDJGP-UHFFFAOYSA-N 1 0 249.423 3.700 20 0 BHADRO CC[NH+](CC)CCCSC/C(C)=C\Cl ZINC000797810355 586131875 /nfs/dbraw/zinc/13/18/75/586131875.db2.gz SBPAYJUTHHHFHM-LUAWRHEFSA-N 1 0 235.824 3.594 20 0 BHADRO CC[NH+](CC)CCCSC/C(C)=C/Cl ZINC000797810358 586131970 /nfs/dbraw/zinc/13/19/70/586131970.db2.gz SBPAYJUTHHHFHM-PKNBQFBNSA-N 1 0 235.824 3.594 20 0 BHADRO C/C(=C/Cl)CSCCC[NH+]1CCCCC1 ZINC000797811138 636385037 /nfs/dbraw/zinc/38/50/37/636385037.db2.gz BFFVTJZDGNNXEW-BENRWUELSA-N 1 0 247.835 3.738 20 0 BHADRO C/C(=C\Cl)CSCCC[NH+]1CCCCC1 ZINC000797811139 636384612 /nfs/dbraw/zinc/38/46/12/636384612.db2.gz BFFVTJZDGNNXEW-ZRDIBKRKSA-N 1 0 247.835 3.738 20 0 BHADRO C/C(=C\Cl)CSCC[NH+]1CCC(C)CC1 ZINC000797811852 586132023 /nfs/dbraw/zinc/13/20/23/586132023.db2.gz CWIKIBWFPQFXMI-FMIVXFBMSA-N 1 0 247.835 3.594 20 0 BHADRO C/C(=C/Cl)CSCC[NH+]1CCC(C)CC1 ZINC000797811853 586132058 /nfs/dbraw/zinc/13/20/58/586132058.db2.gz CWIKIBWFPQFXMI-XFXZXTDPSA-N 1 0 247.835 3.594 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000797904034 586133783 /nfs/dbraw/zinc/13/37/83/586133783.db2.gz KYDFCTRJPNQNNU-CVEARBPZSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000797904063 586133862 /nfs/dbraw/zinc/13/38/62/586133862.db2.gz KYDFCTRJPNQNNU-HOTGVXAUSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000797904064 586133880 /nfs/dbraw/zinc/13/38/80/586133880.db2.gz KYDFCTRJPNQNNU-HZPDHXFCSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000797904066 586133836 /nfs/dbraw/zinc/13/38/36/586133836.db2.gz KYDFCTRJPNQNNU-JKSUJKDBSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797904454 586133735 /nfs/dbraw/zinc/13/37/35/586133735.db2.gz ONUHIGAPZBPDOK-GDBMZVCRSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797904456 586133817 /nfs/dbraw/zinc/13/38/17/586133817.db2.gz ONUHIGAPZBPDOK-GOEBONIOSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797904457 586133729 /nfs/dbraw/zinc/13/37/29/586133729.db2.gz ONUHIGAPZBPDOK-HOCLYGCPSA-N 1 0 229.367 3.582 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797904458 586133776 /nfs/dbraw/zinc/13/37/76/586133776.db2.gz ONUHIGAPZBPDOK-ZBFHGGJFSA-N 1 0 229.367 3.582 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000797905827 586133939 /nfs/dbraw/zinc/13/39/39/586133939.db2.gz QEBHQOBSJKVSTL-CVEARBPZSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000797905828 586134064 /nfs/dbraw/zinc/13/40/64/586134064.db2.gz QEBHQOBSJKVSTL-HOTGVXAUSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000797905829 586133978 /nfs/dbraw/zinc/13/39/78/586133978.db2.gz QEBHQOBSJKVSTL-HZPDHXFCSA-N 1 0 243.394 3.742 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000797905830 586134018 /nfs/dbraw/zinc/13/40/18/586134018.db2.gz QEBHQOBSJKVSTL-JKSUJKDBSA-N 1 0 243.394 3.742 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797998228 586135531 /nfs/dbraw/zinc/13/55/31/586135531.db2.gz CXXNBLFACMQILF-HQRZJTNHSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797998229 586135406 /nfs/dbraw/zinc/13/54/06/586135406.db2.gz CXXNBLFACMQILF-LTZCYQRMSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797998230 586135453 /nfs/dbraw/zinc/13/54/53/586135453.db2.gz CXXNBLFACMQILF-LVGORTOPSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797998231 586135467 /nfs/dbraw/zinc/13/54/67/586135467.db2.gz CXXNBLFACMQILF-PZTHBURQSA-N 1 0 249.785 3.974 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccn1 ZINC000798004694 586135757 /nfs/dbraw/zinc/13/57/57/586135757.db2.gz PAPBFJUSBFLPAI-DZKIICNBSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccn1 ZINC000798004697 586135853 /nfs/dbraw/zinc/13/58/53/586135853.db2.gz PAPBFJUSBFLPAI-FMKPAKJESA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccn1 ZINC000798004698 586135849 /nfs/dbraw/zinc/13/58/49/586135849.db2.gz PAPBFJUSBFLPAI-LZWOXQAQSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccn1 ZINC000798004701 586135761 /nfs/dbraw/zinc/13/57/61/586135761.db2.gz PAPBFJUSBFLPAI-YCPHGPKFSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)CC2 ZINC000798004941 586135843 /nfs/dbraw/zinc/13/58/43/586135843.db2.gz QCXKMXYUGJRPGV-BHYGNILZSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)CC2 ZINC000798004942 636419085 /nfs/dbraw/zinc/41/90/85/636419085.db2.gz QCXKMXYUGJRPGV-DJIMGWMZSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)CC2 ZINC000798004943 636418494 /nfs/dbraw/zinc/41/84/94/636418494.db2.gz QCXKMXYUGJRPGV-HYVNUMGLSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)CC2 ZINC000798004944 636418544 /nfs/dbraw/zinc/41/85/44/636418544.db2.gz QCXKMXYUGJRPGV-USXIJHARSA-N 1 0 241.378 3.761 20 0 BHADRO Cc1[nH+]ccc(N2CCCCCCC2)c1Cl ZINC000798385689 586143455 /nfs/dbraw/zinc/14/34/55/586143455.db2.gz IJMCVDIIUKPRHS-UHFFFAOYSA-N 1 0 238.762 3.814 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccoc2)C1 ZINC000798501541 586144303 /nfs/dbraw/zinc/14/43/03/586144303.db2.gz LSFCCENQZZYAEJ-SHTZXODSSA-N 1 0 241.334 3.624 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 ZINC000798936365 586154005 /nfs/dbraw/zinc/15/40/05/586154005.db2.gz FCYNIVVEWSHXPW-IXYNUQLISA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000798936366 586154046 /nfs/dbraw/zinc/15/40/46/586154046.db2.gz FCYNIVVEWSHXPW-KQTLUZQSSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000798936367 586154187 /nfs/dbraw/zinc/15/41/87/586154187.db2.gz FCYNIVVEWSHXPW-RZLSGREXSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 ZINC000798936368 586154045 /nfs/dbraw/zinc/15/40/45/586154045.db2.gz FCYNIVVEWSHXPW-YXWQFLTLSA-N 1 0 229.367 3.629 20 0 BHADRO Cc1nn(C(C)C)cc1C[NH+]1CCCCCCC1 ZINC000798940848 586154263 /nfs/dbraw/zinc/15/42/63/586154263.db2.gz NTWATBJQSKFELT-UHFFFAOYSA-N 1 0 249.402 3.539 20 0 BHADRO CC[N@H+](CCc1ccccn1)C[C@@H](C)CC(C)C ZINC000799129670 586161280 /nfs/dbraw/zinc/16/12/80/586161280.db2.gz SKTGTDYZLMNFBY-HNNXBMFYSA-N 1 0 248.414 3.628 20 0 BHADRO CC[N@H+](CCc1ccccn1)C[C@H](C)CC(C)C ZINC000799129672 586160554 /nfs/dbraw/zinc/16/05/54/586160554.db2.gz SKTGTDYZLMNFBY-OAHLLOKOSA-N 1 0 248.414 3.628 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000799183682 586165335 /nfs/dbraw/zinc/16/53/35/586165335.db2.gz YOLHABZJQNHDSQ-HNNXBMFYSA-N 1 0 249.402 3.527 20 0 BHADRO CCCCCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000799183683 586165617 /nfs/dbraw/zinc/16/56/17/586165617.db2.gz YOLHABZJQNHDSQ-OAHLLOKOSA-N 1 0 249.402 3.527 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193865 586166380 /nfs/dbraw/zinc/16/63/80/586166380.db2.gz BLZSZHLLXLDHDZ-CABCVRRESA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193866 586166074 /nfs/dbraw/zinc/16/60/74/586166074.db2.gz BLZSZHLLXLDHDZ-GJZGRUSLSA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799193867 586166675 /nfs/dbraw/zinc/16/66/75/586166675.db2.gz BLZSZHLLXLDHDZ-HUUCEWRRSA-N 1 0 246.398 3.553 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799193868 586166837 /nfs/dbraw/zinc/16/68/37/586166837.db2.gz BLZSZHLLXLDHDZ-LSDHHAIUSA-N 1 0 246.398 3.553 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799195552 586167311 /nfs/dbraw/zinc/16/73/11/586167311.db2.gz DOHWYUHCPLZKBQ-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799195553 586167271 /nfs/dbraw/zinc/16/72/71/586167271.db2.gz DOHWYUHCPLZKBQ-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799195656 586167102 /nfs/dbraw/zinc/16/71/02/586167102.db2.gz ZMLQDAYRPQJXKQ-AWEZNQCLSA-N 1 0 246.398 3.697 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799195657 586167046 /nfs/dbraw/zinc/16/70/46/586167046.db2.gz ZMLQDAYRPQJXKQ-CQSZACIVSA-N 1 0 246.398 3.697 20 0 BHADRO CCCCCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000799334072 586171911 /nfs/dbraw/zinc/17/19/11/586171911.db2.gz OIVKFMIOSAGKIY-UHFFFAOYSA-N 1 0 249.402 3.612 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C1(C)CC1 ZINC000800230701 586205781 /nfs/dbraw/zinc/20/57/81/586205781.db2.gz XOFDBVNEOGFMRZ-CMPYXILNSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C1(C)CC1 ZINC000800230705 586205843 /nfs/dbraw/zinc/20/58/43/586205843.db2.gz XOFDBVNEOGFMRZ-FZDNWWAKSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H](C)C1(C)CC1 ZINC000800230707 586205809 /nfs/dbraw/zinc/20/58/09/586205809.db2.gz XOFDBVNEOGFMRZ-YBEMTRGBSA-N 1 0 229.367 3.868 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)C1(C)CC1 ZINC000800230708 586205794 /nfs/dbraw/zinc/20/57/94/586205794.db2.gz XOFDBVNEOGFMRZ-YPDDLIOESA-N 1 0 229.367 3.868 20 0 BHADRO CSCC[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000800240422 586206097 /nfs/dbraw/zinc/20/60/97/586206097.db2.gz GAWZUWGSJJAFSL-CMPYXILNSA-N 1 0 249.423 3.821 20 0 BHADRO CSCC[C@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000800240423 586206121 /nfs/dbraw/zinc/20/61/21/586206121.db2.gz GAWZUWGSJJAFSL-FZDNWWAKSA-N 1 0 249.423 3.821 20 0 BHADRO CSCC[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000800240424 586206135 /nfs/dbraw/zinc/20/61/35/586206135.db2.gz GAWZUWGSJJAFSL-YBEMTRGBSA-N 1 0 249.423 3.821 20 0 BHADRO CSCC[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000800240425 586205916 /nfs/dbraw/zinc/20/59/16/586205916.db2.gz GAWZUWGSJJAFSL-YPDDLIOESA-N 1 0 249.423 3.821 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000800256068 586207308 /nfs/dbraw/zinc/20/73/08/586207308.db2.gz YLIYZZOYLZRSPC-CMPYXILNSA-N 1 0 240.350 3.769 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000800256069 586207009 /nfs/dbraw/zinc/20/70/09/586207009.db2.gz YLIYZZOYLZRSPC-FZDNWWAKSA-N 1 0 240.350 3.769 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@H](C)c1ccc[nH]1 ZINC000800256070 586207550 /nfs/dbraw/zinc/20/75/50/586207550.db2.gz YLIYZZOYLZRSPC-YBEMTRGBSA-N 1 0 240.350 3.769 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)c1ccc[nH]1 ZINC000800256071 586207542 /nfs/dbraw/zinc/20/75/42/586207542.db2.gz YLIYZZOYLZRSPC-YPDDLIOESA-N 1 0 240.350 3.769 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2CCCCCCC2)no1 ZINC000800311821 586211150 /nfs/dbraw/zinc/21/11/50/586211150.db2.gz RRVQISXLMPPETA-GFCCVEGCSA-N 1 0 236.359 3.747 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2CCCCCCC2)no1 ZINC000800311823 586211358 /nfs/dbraw/zinc/21/13/58/586211358.db2.gz RRVQISXLMPPETA-LBPRGKRZSA-N 1 0 236.359 3.747 20 0 BHADRO CCC[C@@H](C)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800330596 586212049 /nfs/dbraw/zinc/21/20/49/586212049.db2.gz YUORZTJIYVJBSU-CHWSQXEVSA-N 1 0 217.356 3.794 20 0 BHADRO CCC[C@H](C)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800330597 583993449 /nfs/dbraw/zinc/99/34/49/583993449.db2.gz YUORZTJIYVJBSU-OLZOCXBDSA-N 1 0 217.356 3.794 20 0 BHADRO CCC[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800330598 583993869 /nfs/dbraw/zinc/99/38/69/583993869.db2.gz YUORZTJIYVJBSU-QWHCGFSZSA-N 1 0 217.356 3.794 20 0 BHADRO CCC[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800330599 583993760 /nfs/dbraw/zinc/99/37/60/583993760.db2.gz YUORZTJIYVJBSU-STQMWFEESA-N 1 0 217.356 3.794 20 0 BHADRO CCC[C@@H](C)[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000800347107 586213285 /nfs/dbraw/zinc/21/32/85/586213285.db2.gz UEWLMHLNVOKKCW-GDBMZVCRSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@H](C)[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000800347108 586213003 /nfs/dbraw/zinc/21/30/03/586213003.db2.gz UEWLMHLNVOKKCW-GOEBONIOSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@H](C)[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000800347109 586212996 /nfs/dbraw/zinc/21/29/96/586212996.db2.gz UEWLMHLNVOKKCW-HOCLYGCPSA-N 1 0 249.398 3.539 20 0 BHADRO CCC[C@@H](C)[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000800347110 586212981 /nfs/dbraw/zinc/21/29/81/586212981.db2.gz UEWLMHLNVOKKCW-ZBFHGGJFSA-N 1 0 249.398 3.539 20 0 BHADRO CC[C@](C)([NH2+]CCOCC(C)C)c1ccccc1 ZINC000800368782 586214265 /nfs/dbraw/zinc/21/42/65/586214265.db2.gz CTIFXZOONHAXBQ-INIZCTEOSA-N 1 0 249.398 3.574 20 0 BHADRO CC[C@@](C)([NH2+]CCOCC(C)C)c1ccccc1 ZINC000800368783 586214115 /nfs/dbraw/zinc/21/41/15/586214115.db2.gz CTIFXZOONHAXBQ-MRXNPFEDSA-N 1 0 249.398 3.574 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000800472484 644834749 /nfs/dbraw/zinc/83/47/49/644834749.db2.gz PZKZKUILROYCIE-KKUMJFAQSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000800472485 644834351 /nfs/dbraw/zinc/83/43/51/644834351.db2.gz PZKZKUILROYCIE-RRFJBIMHSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000800472486 644834706 /nfs/dbraw/zinc/83/47/06/644834706.db2.gz PZKZKUILROYCIE-SOUVJXGZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000800472487 644835010 /nfs/dbraw/zinc/83/50/10/644835010.db2.gz PZKZKUILROYCIE-ZNMIVQPWSA-N 1 0 241.419 3.750 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccco2)oc1C ZINC000800473485 644834288 /nfs/dbraw/zinc/83/42/88/644834288.db2.gz XQBNFMPLIOLCFT-NEPJUHHUSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)oc1C ZINC000800473486 644834491 /nfs/dbraw/zinc/83/44/91/644834491.db2.gz XQBNFMPLIOLCFT-NWDGAFQWSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)oc1C ZINC000800473487 644835043 /nfs/dbraw/zinc/83/50/43/644835043.db2.gz XQBNFMPLIOLCFT-RYUDHWBXSA-N 1 0 247.338 3.771 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)oc1C ZINC000800473488 644834265 /nfs/dbraw/zinc/83/42/65/644834265.db2.gz XQBNFMPLIOLCFT-VXGBXAGGSA-N 1 0 247.338 3.771 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC12CCC2)c1cccc(F)c1 ZINC000800474360 644834630 /nfs/dbraw/zinc/83/46/30/644834630.db2.gz JOFCJJVEXMWDTK-DOMZBBRYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC12CCC2)c1cccc(F)c1 ZINC000800474361 644835000 /nfs/dbraw/zinc/83/50/00/644835000.db2.gz JOFCJJVEXMWDTK-IUODEOHRSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)c1cccc(F)c1 ZINC000800474362 644834768 /nfs/dbraw/zinc/83/47/68/644834768.db2.gz JOFCJJVEXMWDTK-SWLSCSKDSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC12CCC2)c1cccc(F)c1 ZINC000800474363 644834374 /nfs/dbraw/zinc/83/43/74/644834374.db2.gz JOFCJJVEXMWDTK-WFASDCNBSA-N 1 0 247.357 3.852 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CCC12CCC2 ZINC000800479719 586221930 /nfs/dbraw/zinc/22/19/30/586221930.db2.gz IJQQSIQMUVNTMD-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC12CCC2 ZINC000800479721 586221825 /nfs/dbraw/zinc/22/18/25/586221825.db2.gz IJQQSIQMUVNTMD-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000800481153 586221867 /nfs/dbraw/zinc/22/18/67/586221867.db2.gz XCFNWGXDUYQKBG-APHBMKBZSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000800481182 586222147 /nfs/dbraw/zinc/22/21/47/586222147.db2.gz XCFNWGXDUYQKBG-WQVCFCJDSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC12CCC2 ZINC000800482380 586222020 /nfs/dbraw/zinc/22/20/20/586222020.db2.gz RWHUIGZZOXFRNP-HNNXBMFYSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC12CCC2 ZINC000800482385 586222202 /nfs/dbraw/zinc/22/22/02/586222202.db2.gz RWHUIGZZOXFRNP-OAHLLOKOSA-N 1 0 229.367 3.726 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)oc1C ZINC000800482469 586222206 /nfs/dbraw/zinc/22/22/06/586222206.db2.gz HKUWQYOXNDZJBD-GHMZBOCLSA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)oc1C ZINC000800482470 586222217 /nfs/dbraw/zinc/22/22/17/586222217.db2.gz HKUWQYOXNDZJBD-MNOVXSKESA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)oc1C ZINC000800482471 586221959 /nfs/dbraw/zinc/22/19/59/586221959.db2.gz HKUWQYOXNDZJBD-QWRGUYRKSA-N 1 0 232.327 3.636 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)oc1C ZINC000800482472 644834652 /nfs/dbraw/zinc/83/46/52/644834652.db2.gz HKUWQYOXNDZJBD-WDEREUQCSA-N 1 0 232.327 3.636 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000800503367 586223871 /nfs/dbraw/zinc/22/38/71/586223871.db2.gz SUBYJQQVRSDKSL-AAEUAGOBSA-N 1 0 238.375 3.993 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000800503368 586223782 /nfs/dbraw/zinc/22/37/82/586223782.db2.gz SUBYJQQVRSDKSL-DGCLKSJQSA-N 1 0 238.375 3.993 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000800503369 586223401 /nfs/dbraw/zinc/22/34/01/586223401.db2.gz SUBYJQQVRSDKSL-WCQYABFASA-N 1 0 238.375 3.993 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000800503370 586223890 /nfs/dbraw/zinc/22/38/90/586223890.db2.gz SUBYJQQVRSDKSL-YPMHNXCESA-N 1 0 238.375 3.993 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C(F)(F)F)c(C)o1 ZINC000800888790 586235964 /nfs/dbraw/zinc/23/59/64/586235964.db2.gz JZJZEGLQOCIDEG-UHFFFAOYSA-N 1 0 249.276 3.575 20 0 BHADRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890687 586236057 /nfs/dbraw/zinc/23/60/57/586236057.db2.gz NLDIIYABYDHLRU-LZWOXQAQSA-N 1 0 229.367 3.582 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(F)c1 ZINC000800969861 586238383 /nfs/dbraw/zinc/23/83/83/586238383.db2.gz XRADWBBEYHLAEO-DDUYRFODSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(F)c1 ZINC000800969863 586238196 /nfs/dbraw/zinc/23/81/96/586238196.db2.gz XRADWBBEYHLAEO-JMGFVUJMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(F)c1 ZINC000800969864 586238616 /nfs/dbraw/zinc/23/86/16/586238616.db2.gz XRADWBBEYHLAEO-WXYCVUISSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(F)c1 ZINC000800969865 586238202 /nfs/dbraw/zinc/23/82/02/586238202.db2.gz XRADWBBEYHLAEO-YUDUHTQSSA-N 1 0 247.357 3.707 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800972181 586238465 /nfs/dbraw/zinc/23/84/65/586238465.db2.gz DFPWVEBWCTYLFE-BBRMVZONSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800972183 586238703 /nfs/dbraw/zinc/23/87/03/586238703.db2.gz DFPWVEBWCTYLFE-CJNGLKHVSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800972184 586238692 /nfs/dbraw/zinc/23/86/92/586238692.db2.gz DFPWVEBWCTYLFE-CZUORRHYSA-N 1 0 247.357 3.802 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800972186 586238711 /nfs/dbraw/zinc/23/87/11/586238711.db2.gz DFPWVEBWCTYLFE-XJKSGUPXSA-N 1 0 247.357 3.802 20 0 BHADRO c1cc(N[C@H]2CC[C@@H]2C2CCC2)cc2c1OCC2 ZINC000800978149 586238315 /nfs/dbraw/zinc/23/83/15/586238315.db2.gz XNOJHEHBFYFCNY-CABCVRRESA-N 1 0 243.350 3.612 20 0 BHADRO Cc1cc(N[C@H]2CCC[C@H]3C[C@H]32)ccc1N(C)C ZINC000800980757 586238321 /nfs/dbraw/zinc/23/83/21/586238321.db2.gz JCXGZLBQWXOMKC-CFVMTHIKSA-N 1 0 244.382 3.662 20 0 BHADRO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1N(C)C ZINC000800980758 586238674 /nfs/dbraw/zinc/23/86/74/586238674.db2.gz JCXGZLBQWXOMKC-NWANDNLSSA-N 1 0 244.382 3.662 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800991015 586239015 /nfs/dbraw/zinc/23/90/15/586239015.db2.gz ATQFJZZHNXVSOD-CVEARBPZSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800991023 586239243 /nfs/dbraw/zinc/23/92/43/586239243.db2.gz ATQFJZZHNXVSOD-HOTGVXAUSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800991024 586238989 /nfs/dbraw/zinc/23/89/89/586238989.db2.gz ATQFJZZHNXVSOD-HZPDHXFCSA-N 1 0 249.398 3.505 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800991025 586239224 /nfs/dbraw/zinc/23/92/24/586239224.db2.gz ATQFJZZHNXVSOD-JKSUJKDBSA-N 1 0 249.398 3.505 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800991869 586239170 /nfs/dbraw/zinc/23/91/70/586239170.db2.gz NGFWYHBPAZFBCF-GDBMZVCRSA-N 1 0 249.398 3.505 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800991870 586239030 /nfs/dbraw/zinc/23/90/30/586239030.db2.gz NGFWYHBPAZFBCF-GOEBONIOSA-N 1 0 249.398 3.505 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800991871 586238972 /nfs/dbraw/zinc/23/89/72/586238972.db2.gz NGFWYHBPAZFBCF-HOCLYGCPSA-N 1 0 249.398 3.505 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800991872 586239086 /nfs/dbraw/zinc/23/90/86/586239086.db2.gz NGFWYHBPAZFBCF-ZBFHGGJFSA-N 1 0 249.398 3.505 20 0 BHADRO CC(C)SCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000801508953 586259846 /nfs/dbraw/zinc/25/98/46/586259846.db2.gz WTDSSZAQOAJMCO-CYBMUJFWSA-N 1 0 249.423 3.747 20 0 BHADRO CC(C)SCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000801508958 586260066 /nfs/dbraw/zinc/26/00/66/586260066.db2.gz WTDSSZAQOAJMCO-ZDUSSCGKSA-N 1 0 249.423 3.747 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C/C=C\Cl ZINC000801600796 586266102 /nfs/dbraw/zinc/26/61/02/586266102.db2.gz OKVHLGXHAPQSCR-DHHDDZJSSA-N 1 0 215.768 3.640 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C/C=C/Cl ZINC000801600797 586265748 /nfs/dbraw/zinc/26/57/48/586265748.db2.gz OKVHLGXHAPQSCR-OALRPVAKSA-N 1 0 215.768 3.640 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](C/C=C\Cl)CC1 ZINC000801602343 586266128 /nfs/dbraw/zinc/26/61/28/586266128.db2.gz CSJCWGPCIDGANE-UTCJRWHESA-N 1 0 237.730 3.511 20 0 BHADRO CC1=C(c2ccco2)C[N@H+](C/C=C/Cl)CC1 ZINC000801602344 586266258 /nfs/dbraw/zinc/26/62/58/586266258.db2.gz CSJCWGPCIDGANE-ZZXKWVIFSA-N 1 0 237.730 3.511 20 0 BHADRO c1cc(C[NH2+]CC2CC(c3ccccc3)C2)co1 ZINC000801730460 586269524 /nfs/dbraw/zinc/26/95/24/586269524.db2.gz IODXSVSHIFTLLN-UHFFFAOYSA-N 1 0 241.334 3.563 20 0 BHADRO CO[C@@H](C[NH+]1CCCCCCC1)c1ccccc1 ZINC000801909458 710874217 /nfs/dbraw/zinc/87/42/17/710874217.db2.gz CIJYFUOKPDFPHA-INIZCTEOSA-N 1 0 247.382 3.640 20 0 BHADRO CO[C@H](C[NH+]1CCCCCCC1)c1ccccc1 ZINC000801909459 710874204 /nfs/dbraw/zinc/87/42/04/710874204.db2.gz CIJYFUOKPDFPHA-MRXNPFEDSA-N 1 0 247.382 3.640 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCc2ccccc2C1 ZINC000801909462 710873666 /nfs/dbraw/zinc/87/36/66/710873666.db2.gz CJYUIGGLMZILFB-UHFFFAOYSA-N 1 0 249.423 3.576 20 0 BHADRO CCC[N@H+](CCSC(C)(C)C)CC1CC1 ZINC000801910343 710874316 /nfs/dbraw/zinc/87/43/16/710874316.db2.gz PBBOXPYXXMUAHT-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CCCC[N@H+](CC)CCSC(C)(C)C ZINC000801910751 710873995 /nfs/dbraw/zinc/87/39/95/710873995.db2.gz WQNYUXXGODGDPE-UHFFFAOYSA-N 1 0 217.422 3.640 20 0 BHADRO CC[C@@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000801910924 710873456 /nfs/dbraw/zinc/87/34/56/710873456.db2.gz DGKUFIPNOIADAZ-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000801910925 710873886 /nfs/dbraw/zinc/87/38/86/710873886.db2.gz DGKUFIPNOIADAZ-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1ccc(C[N@H+](C)CCSC(C)(C)C)o1 ZINC000801911316 710874430 /nfs/dbraw/zinc/87/44/30/710874430.db2.gz JMPXOKGPSGFHJC-UHFFFAOYSA-N 1 0 241.400 3.552 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1CCSC(C)(C)C ZINC000801911519 710874059 /nfs/dbraw/zinc/87/40/59/710874059.db2.gz KXGWHIBZTQMHMF-GFCCVEGCSA-N 1 0 229.433 3.783 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1CCSC(C)(C)C ZINC000801911520 710874096 /nfs/dbraw/zinc/87/40/96/710874096.db2.gz KXGWHIBZTQMHMF-LBPRGKRZSA-N 1 0 229.433 3.783 20 0 BHADRO C[N@H+](CCSC(C)(C)C)Cc1cccs1 ZINC000801911562 644845127 /nfs/dbraw/zinc/84/51/27/644845127.db2.gz MMEOUSYWSCVMMJ-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO C[N@H+](CCSC(C)(C)C)Cc1ccccc1 ZINC000801911812 644846153 /nfs/dbraw/zinc/84/61/53/644846153.db2.gz UAANTULLBRPQFM-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO C[N@H+](CCSC(C)(C)C)C1CCCCC1 ZINC000801911834 644845925 /nfs/dbraw/zinc/84/59/25/644845925.db2.gz UKOSVWKSAJSMPT-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO C[N@H+](CCSC(C)(C)C)Cc1ccsc1 ZINC000801911882 644845573 /nfs/dbraw/zinc/84/55/73/644845573.db2.gz VMYNCFAQPILUHZ-UHFFFAOYSA-N 1 0 243.441 3.712 20 0 BHADRO CCC1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801912735 644845395 /nfs/dbraw/zinc/84/53/95/644845395.db2.gz BDMYZBARXHTLHL-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSC(C)(C)C)CC1 ZINC000801913427 586276974 /nfs/dbraw/zinc/27/69/74/586276974.db2.gz DUAZHYTVTHLVDK-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H]1CCC[N@H+](CCSC(C)(C)C)CC1 ZINC000801913428 586276836 /nfs/dbraw/zinc/27/68/36/586276836.db2.gz DUAZHYTVTHLVDK-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCSC(C)(C)C ZINC000801914046 586276830 /nfs/dbraw/zinc/27/68/30/586276830.db2.gz RVDMPJCKGSBXFW-LLVKDONJSA-N 1 0 241.400 3.804 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCSC(C)(C)C ZINC000801914047 586276802 /nfs/dbraw/zinc/27/68/02/586276802.db2.gz RVDMPJCKGSBXFW-NSHDSACASA-N 1 0 241.400 3.804 20 0 BHADRO C[N@H+](CCSC(C)(C)C)C(C1CC1)C1CC1 ZINC000801914216 586276432 /nfs/dbraw/zinc/27/64/32/586276432.db2.gz AOTMDJOHWZRGFF-UHFFFAOYSA-N 1 0 241.444 3.639 20 0 BHADRO C[N@H+](CCSC(C)(C)C)CC1CCCC1 ZINC000801914351 586277014 /nfs/dbraw/zinc/27/70/14/586277014.db2.gz COUGBIVHWKMJRL-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO Cc1occc1C[N@H+](C)CCSC(C)(C)C ZINC000801914404 586276215 /nfs/dbraw/zinc/27/62/15/586276215.db2.gz BRHGYGVGMKXADE-UHFFFAOYSA-N 1 0 241.400 3.552 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCSC(C)(C)C)C1CC1 ZINC000801914527 586276457 /nfs/dbraw/zinc/27/64/57/586276457.db2.gz JWSKYJFVUHIJRP-LLVKDONJSA-N 1 0 241.444 3.781 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCSC(C)(C)C)C1CC1 ZINC000801914528 586276813 /nfs/dbraw/zinc/27/68/13/586276813.db2.gz JWSKYJFVUHIJRP-NSHDSACASA-N 1 0 241.444 3.781 20 0 BHADRO CC[N@H+](CCSC(C)(C)C)C1CCCC1 ZINC000801915301 586276798 /nfs/dbraw/zinc/27/67/98/586276798.db2.gz PNTJRQYUGCXOBM-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000801916562 586276276 /nfs/dbraw/zinc/27/62/76/586276276.db2.gz XYAXBXVPLSXMKB-GFCCVEGCSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000801916563 586276509 /nfs/dbraw/zinc/27/65/09/586276509.db2.gz XYAXBXVPLSXMKB-LBPRGKRZSA-N 1 0 229.433 3.639 20 0 BHADRO CC[N@H+](CCSC(C)(C)C)Cc1ccoc1 ZINC000801917476 586276844 /nfs/dbraw/zinc/27/68/44/586276844.db2.gz DSXADESPXPINNS-UHFFFAOYSA-N 1 0 241.400 3.633 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000801918182 586276755 /nfs/dbraw/zinc/27/67/55/586276755.db2.gz YBEHSXBHFANQTO-CYBMUJFWSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000801918183 586276199 /nfs/dbraw/zinc/27/61/99/586276199.db2.gz YBEHSXBHFANQTO-ZDUSSCGKSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[NH+]1CCC(C)(C)CC1 ZINC000801918215 586276415 /nfs/dbraw/zinc/27/64/15/586276415.db2.gz ZKELJNBKAJIGGO-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)(C)SCC[NH+]1Cc2ccccc2C1 ZINC000801918892 586276874 /nfs/dbraw/zinc/27/68/74/586276874.db2.gz BGWKCABQDCNROP-UHFFFAOYSA-N 1 0 235.396 3.534 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCCC(C)(C)C1 ZINC000801919075 586276796 /nfs/dbraw/zinc/27/67/96/586276796.db2.gz AQDDFVCKVDOJOK-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1CCSC(C)(C)C ZINC000801919550 586276326 /nfs/dbraw/zinc/27/63/26/586276326.db2.gz KEKVEOXFZNCJLE-RYUDHWBXSA-N 1 0 229.433 3.781 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCSC(C)(C)C ZINC000801919552 586276347 /nfs/dbraw/zinc/27/63/47/586276347.db2.gz KEKVEOXFZNCJLE-VXGBXAGGSA-N 1 0 229.433 3.781 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1CCSC(C)(C)C ZINC000801922504 586277817 /nfs/dbraw/zinc/27/78/17/586277817.db2.gz XCBXBQZQVKIJBK-GFCCVEGCSA-N 1 0 229.433 3.783 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1CCSC(C)(C)C ZINC000801922505 586277973 /nfs/dbraw/zinc/27/79/73/586277973.db2.gz XCBXBQZQVKIJBK-LBPRGKRZSA-N 1 0 229.433 3.783 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSC(C)(C)C)[C@H]1C ZINC000801922665 586277734 /nfs/dbraw/zinc/27/77/34/586277734.db2.gz MVNVWQDNQNFPJW-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCSC(C)(C)C ZINC000801922667 586277185 /nfs/dbraw/zinc/27/71/85/586277185.db2.gz MVNVWQDNQNFPJW-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@H]1CCC[N@H+](CCSC(C)(C)C)[C@H]1C ZINC000801922668 586277948 /nfs/dbraw/zinc/27/79/48/586277948.db2.gz MVNVWQDNQNFPJW-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1CCC[N@H+](CCSC(C)(C)C)[C@@H]1C ZINC000801922670 586277297 /nfs/dbraw/zinc/27/72/97/586277297.db2.gz MVNVWQDNQNFPJW-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)(C)SCC[NH+]1C2CCCC1CCC2 ZINC000801923547 586277843 /nfs/dbraw/zinc/27/78/43/586277843.db2.gz KAUVORAVFMWBJL-UHFFFAOYSA-N 1 0 241.444 3.925 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000801923771 644845915 /nfs/dbraw/zinc/84/59/15/644845915.db2.gz NBVFGEWJQUCUPE-CHWSQXEVSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000801923773 644844477 /nfs/dbraw/zinc/84/44/77/644844477.db2.gz NBVFGEWJQUCUPE-OLZOCXBDSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000801923775 644845524 /nfs/dbraw/zinc/84/55/24/644845524.db2.gz NBVFGEWJQUCUPE-QWHCGFSZSA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000801923777 644845120 /nfs/dbraw/zinc/84/51/20/644845120.db2.gz NBVFGEWJQUCUPE-STQMWFEESA-N 1 0 241.444 3.783 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000801924048 644845326 /nfs/dbraw/zinc/84/53/26/644845326.db2.gz IMOZAJNDMFJFRV-AWEZNQCLSA-N 1 0 249.423 3.965 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000801924050 644844444 /nfs/dbraw/zinc/84/44/44/644844444.db2.gz IMOZAJNDMFJFRV-CQSZACIVSA-N 1 0 249.423 3.965 20 0 BHADRO C[C@H]1C[N@H+](CCSC(C)(C)C)C(C)(C)C1 ZINC000801924579 644844140 /nfs/dbraw/zinc/84/41/40/644844140.db2.gz RBOVLUGHKWIZKO-LLVKDONJSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1C[N@H+](CCSC(C)(C)C)C(C)(C)C1 ZINC000801924580 644845139 /nfs/dbraw/zinc/84/51/39/644845139.db2.gz RBOVLUGHKWIZKO-NSHDSACASA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCSC(C)(C)C ZINC000801925100 644845403 /nfs/dbraw/zinc/84/54/03/644845403.db2.gz FHFPUGXJMSUGAK-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCSC(C)(C)C ZINC000801925101 644844389 /nfs/dbraw/zinc/84/43/89/644844389.db2.gz FHFPUGXJMSUGAK-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCSC(C)(C)C ZINC000801925103 644845947 /nfs/dbraw/zinc/84/59/47/644845947.db2.gz FHFPUGXJMSUGAK-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCSC(C)(C)C ZINC000801925104 644846053 /nfs/dbraw/zinc/84/60/53/644846053.db2.gz FHFPUGXJMSUGAK-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1CC[C@H](C)[N@H+](CCSC(C)(C)C)C1 ZINC000801925599 644845217 /nfs/dbraw/zinc/84/52/17/644845217.db2.gz OIXCYTINXQRWQJ-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCSC(C)(C)C ZINC000801925600 644844518 /nfs/dbraw/zinc/84/45/18/644844518.db2.gz OIXCYTINXQRWQJ-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@H]1CC[C@H](C)[N@H+](CCSC(C)(C)C)C1 ZINC000801925602 644845988 /nfs/dbraw/zinc/84/59/88/644845988.db2.gz OIXCYTINXQRWQJ-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCSC(C)(C)C)C1 ZINC000801925604 644844983 /nfs/dbraw/zinc/84/49/83/644844983.db2.gz OIXCYTINXQRWQJ-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC2(CCCC2)C1 ZINC000801925855 644845455 /nfs/dbraw/zinc/84/54/55/644845455.db2.gz RXCSYCMWOGNSGN-UHFFFAOYSA-N 1 0 241.444 3.784 20 0 BHADRO CC(C)(C)SCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000801926441 644847005 /nfs/dbraw/zinc/84/70/05/644847005.db2.gz QOEBOECLLUKTAS-BETUJISGSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)SCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000801926442 644846790 /nfs/dbraw/zinc/84/67/90/644846790.db2.gz QOEBOECLLUKTAS-CHWSQXEVSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)SCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000801926443 644847033 /nfs/dbraw/zinc/84/70/33/644847033.db2.gz QOEBOECLLUKTAS-STQMWFEESA-N 1 0 241.444 3.640 20 0 BHADRO CC[C@]1(C)CC[N@H+](CCSC(C)(C)C)C1 ZINC000801927311 644846859 /nfs/dbraw/zinc/84/68/59/644846859.db2.gz MJDFUIBPNFSFOU-CYBMUJFWSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@@]1(C)CC[N@H+](CCSC(C)(C)C)C1 ZINC000801927312 644846519 /nfs/dbraw/zinc/84/65/19/644846519.db2.gz MJDFUIBPNFSFOU-ZDUSSCGKSA-N 1 0 229.433 3.640 20 0 BHADRO CC(C)[N@H+](CCSC(C)(C)C)CC1CC1 ZINC000801930136 586278971 /nfs/dbraw/zinc/27/89/71/586278971.db2.gz GUOHUHPMJYAQLK-UHFFFAOYSA-N 1 0 229.433 3.639 20 0 BHADRO CCC(C)(C)[N@H+](C)CCSC(C)(C)C ZINC000801932604 586278957 /nfs/dbraw/zinc/27/89/57/586278957.db2.gz RELCXKLVIWABER-UHFFFAOYSA-N 1 0 217.422 3.639 20 0 BHADRO CSCC[C@@H](C)[N@H+](C)CCSC(C)(C)C ZINC000801932969 586278921 /nfs/dbraw/zinc/27/89/21/586278921.db2.gz CXGFLYUUQBETDH-LLVKDONJSA-N 1 0 249.489 3.592 20 0 BHADRO CSCC[C@H](C)[N@H+](C)CCSC(C)(C)C ZINC000801932970 586278584 /nfs/dbraw/zinc/27/85/84/586278584.db2.gz CXGFLYUUQBETDH-NSHDSACASA-N 1 0 249.489 3.592 20 0 BHADRO CC(C)(C)SCC[NH+](CC1CC1)CC1CC1 ZINC000801933183 586278230 /nfs/dbraw/zinc/27/82/30/586278230.db2.gz KBQIHHPMDSKVKN-UHFFFAOYSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)SCC[NH2+]C1(c2ccccc2)CC1 ZINC000801938101 586279492 /nfs/dbraw/zinc/27/94/92/586279492.db2.gz YPOVTLPYOVMMJG-UHFFFAOYSA-N 1 0 249.423 3.797 20 0 BHADRO C[N@H+](CCSC(C)(C)C)C[C@@H]1CC=CCC1 ZINC000801939324 586280400 /nfs/dbraw/zinc/28/04/00/586280400.db2.gz QUDDZNJDGRNZBY-CYBMUJFWSA-N 1 0 241.444 3.806 20 0 BHADRO C[N@H+](CCSC(C)(C)C)C[C@H]1CC=CCC1 ZINC000801939325 586280721 /nfs/dbraw/zinc/28/07/21/586280721.db2.gz QUDDZNJDGRNZBY-ZDUSSCGKSA-N 1 0 241.444 3.806 20 0 BHADRO CC(C)[NH+](CCSC(C)(C)C)C(C)C ZINC000801940245 586280822 /nfs/dbraw/zinc/28/08/22/586280822.db2.gz LTSXOGJVVUWROY-UHFFFAOYSA-N 1 0 217.422 3.637 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCSC(C)(C)C ZINC000801940902 586280750 /nfs/dbraw/zinc/28/07/50/586280750.db2.gz TWDMWYBZDXXWJE-NEPJUHHUSA-N 1 0 229.433 3.781 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCSC(C)(C)C ZINC000801940903 586281129 /nfs/dbraw/zinc/28/11/29/586281129.db2.gz TWDMWYBZDXXWJE-NWDGAFQWSA-N 1 0 229.433 3.781 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCSC(C)(C)C ZINC000801940904 586281031 /nfs/dbraw/zinc/28/10/31/586281031.db2.gz TWDMWYBZDXXWJE-RYUDHWBXSA-N 1 0 229.433 3.781 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCSC(C)(C)C ZINC000801940905 586280548 /nfs/dbraw/zinc/28/05/48/586280548.db2.gz TWDMWYBZDXXWJE-VXGBXAGGSA-N 1 0 229.433 3.781 20 0 BHADRO CC[C@H](CSC)[N@H+](C)CCSC(C)(C)C ZINC000801941435 586280896 /nfs/dbraw/zinc/28/08/96/586280896.db2.gz ZQLWQYBKBYXBQU-LLVKDONJSA-N 1 0 249.489 3.592 20 0 BHADRO CC[C@@H](CSC)[N@H+](C)CCSC(C)(C)C ZINC000801941436 586280521 /nfs/dbraw/zinc/28/05/21/586280521.db2.gz ZQLWQYBKBYXBQU-NSHDSACASA-N 1 0 249.489 3.592 20 0 BHADRO CC[N@H+](CCSC(C)(C)C)CCC1CC1 ZINC000801941699 586280789 /nfs/dbraw/zinc/28/07/89/586280789.db2.gz SXXQBJSFHBAMSX-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@@H]1CCCC[N@H+](CCSC(C)(C)C)C1 ZINC000801942635 586281248 /nfs/dbraw/zinc/28/12/48/586281248.db2.gz DFXZQAFKWMYHMJ-GFCCVEGCSA-N 1 0 229.433 3.640 20 0 BHADRO C[C@H]1CCCC[N@H+](CCSC(C)(C)C)C1 ZINC000801942636 586281878 /nfs/dbraw/zinc/28/18/78/586281878.db2.gz DFXZQAFKWMYHMJ-LBPRGKRZSA-N 1 0 229.433 3.640 20 0 BHADRO CC[C@H]1[C@H](C)CC[N@@H+]1CCSC(C)(C)C ZINC000801943326 586281399 /nfs/dbraw/zinc/28/13/99/586281399.db2.gz QZCXZKPVWHOWNQ-NEPJUHHUSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCSC(C)(C)C ZINC000801943327 586281356 /nfs/dbraw/zinc/28/13/56/586281356.db2.gz QZCXZKPVWHOWNQ-NWDGAFQWSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCSC(C)(C)C ZINC000801943328 586281610 /nfs/dbraw/zinc/28/16/10/586281610.db2.gz QZCXZKPVWHOWNQ-RYUDHWBXSA-N 1 0 229.433 3.639 20 0 BHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCSC(C)(C)C ZINC000801943329 586281993 /nfs/dbraw/zinc/28/19/93/586281993.db2.gz QZCXZKPVWHOWNQ-VXGBXAGGSA-N 1 0 229.433 3.639 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCCC12CCC2 ZINC000801949716 586282737 /nfs/dbraw/zinc/28/27/37/586282737.db2.gz FXEVKYHXKOVUBG-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO C[N@H+](CCSC(C)(C)C)C1(C)CCCC1 ZINC000801952196 586282592 /nfs/dbraw/zinc/28/25/92/586282592.db2.gz PQIMKMDFGZEXJP-UHFFFAOYSA-N 1 0 229.433 3.783 20 0 BHADRO CC[N@H+](CCSC(C)(C)C)CC1CCC1 ZINC000801953000 586283732 /nfs/dbraw/zinc/28/37/32/586283732.db2.gz ICLGPUOAKIBHQG-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CC1=C(C)C[N@H+](CCSC(C)(C)C)CC1 ZINC000801953022 586283773 /nfs/dbraw/zinc/28/37/73/586283773.db2.gz IVONNODDKPDVLM-UHFFFAOYSA-N 1 0 227.417 3.560 20 0 BHADRO CC(C)(C)SCC[N@H+](CC1CC1)C1CCC1 ZINC000801953842 586283751 /nfs/dbraw/zinc/28/37/51/586283751.db2.gz WZWOLWZPZCZTMQ-UHFFFAOYSA-N 1 0 241.444 3.783 20 0 BHADRO Cc1cc(C[NH2+]C(C2CCC2)C2CCC2)c(C)o1 ZINC000802303531 586303571 /nfs/dbraw/zinc/30/35/71/586303571.db2.gz JPTULEVURJRLAO-UHFFFAOYSA-N 1 0 247.382 3.955 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)C1CC1 ZINC000802305018 586303540 /nfs/dbraw/zinc/30/35/40/586303540.db2.gz MWXVDNRTTQXGEB-DOMZBBRYSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)C1CC1 ZINC000802305021 586303113 /nfs/dbraw/zinc/30/31/13/586303113.db2.gz MWXVDNRTTQXGEB-IUODEOHRSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)C1CC1 ZINC000802305023 586303044 /nfs/dbraw/zinc/30/30/44/586303044.db2.gz MWXVDNRTTQXGEB-SWLSCSKDSA-N 1 0 234.387 3.880 20 0 BHADRO CC(C)CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)C1CC1 ZINC000802305024 586303306 /nfs/dbraw/zinc/30/33/06/586303306.db2.gz MWXVDNRTTQXGEB-WFASDCNBSA-N 1 0 234.387 3.880 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000802308762 586303065 /nfs/dbraw/zinc/30/30/65/586303065.db2.gz IHBSIRYQSAWELB-ADNDVJRGSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000802308763 586303357 /nfs/dbraw/zinc/30/33/57/586303357.db2.gz IHBSIRYQSAWELB-FKFRUQKQSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000802308765 586303272 /nfs/dbraw/zinc/30/32/72/586303272.db2.gz IHBSIRYQSAWELB-QTISTPMNSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000802308767 586303396 /nfs/dbraw/zinc/30/33/96/586303396.db2.gz IHBSIRYQSAWELB-XCAIRMDXSA-N 1 0 229.367 3.568 20 0 BHADRO CC[N@H+](CCc1ccccn1)C[C@H](C)C(C)(C)C ZINC000802639125 586306623 /nfs/dbraw/zinc/30/66/23/586306623.db2.gz CYTOSTUXUNCLRH-AWEZNQCLSA-N 1 0 248.414 3.628 20 0 BHADRO CC[N@H+](CCc1ccccn1)C[C@@H](C)C(C)(C)C ZINC000802639126 586306601 /nfs/dbraw/zinc/30/66/01/586306601.db2.gz CYTOSTUXUNCLRH-CQSZACIVSA-N 1 0 248.414 3.628 20 0 BHADRO C[C@@H](O)c1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000802644827 586307252 /nfs/dbraw/zinc/30/72/52/586307252.db2.gz MUNIIFIOMCVONV-CHWSQXEVSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@H](O)c1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1 ZINC000802644828 586306799 /nfs/dbraw/zinc/30/67/99/586306799.db2.gz MUNIIFIOMCVONV-OLZOCXBDSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@@H](O)c1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1 ZINC000802644829 586307051 /nfs/dbraw/zinc/30/70/51/586307051.db2.gz MUNIIFIOMCVONV-QWHCGFSZSA-N 1 0 249.398 3.512 20 0 BHADRO C[C@@H](C[NH2+]Cc1ccc([C@H](C)O)cc1)C(C)(C)C ZINC000802644830 586307053 /nfs/dbraw/zinc/30/70/53/586307053.db2.gz MUNIIFIOMCVONV-STQMWFEESA-N 1 0 249.398 3.512 20 0 BHADRO C[C@H](C[N@@H+]1CCCC12CCC2)C(C)(C)C ZINC000802651176 586308182 /nfs/dbraw/zinc/30/81/82/586308182.db2.gz QGRPIRSDMDOUKB-GFCCVEGCSA-N 1 0 209.377 3.687 20 0 BHADRO C[C@@H](C[N@@H+]1CCCC12CCC2)C(C)(C)C ZINC000802651177 586307750 /nfs/dbraw/zinc/30/77/50/586307750.db2.gz QGRPIRSDMDOUKB-LBPRGKRZSA-N 1 0 209.377 3.687 20 0 BHADRO CC1C[NH+](Cc2ccccc2-c2ccccc2)C1 ZINC000802651727 586307578 /nfs/dbraw/zinc/30/75/78/586307578.db2.gz ZGBGEXYSUNNOGU-UHFFFAOYSA-N 1 0 237.346 3.805 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@H](c2ccccn2)C1)C(C)(C)C ZINC000802651912 586308122 /nfs/dbraw/zinc/30/81/22/586308122.db2.gz GXDHPGBSWXHUEO-KBPBESRZSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@H](c2ccccn2)C1)C(C)(C)C ZINC000802651913 586307412 /nfs/dbraw/zinc/30/74/12/586307412.db2.gz GXDHPGBSWXHUEO-KGLIPLIRSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@@H](C[N@@H+]1CC[C@@H](c2ccccn2)C1)C(C)(C)C ZINC000802651914 586308064 /nfs/dbraw/zinc/30/80/64/586308064.db2.gz GXDHPGBSWXHUEO-UONOGXRCSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H](C[N@@H+]1CC[C@@H](c2ccccn2)C1)C(C)(C)C ZINC000802651915 586307568 /nfs/dbraw/zinc/30/75/68/586307568.db2.gz GXDHPGBSWXHUEO-ZIAGYGMSSA-N 1 0 246.398 3.553 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000802659157 586308445 /nfs/dbraw/zinc/30/84/45/586308445.db2.gz OERUFLLYOYJZKF-HIFRSBDPSA-N 1 0 237.387 3.580 20 0 BHADRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H]1CCC=CO1 ZINC000802659167 586309330 /nfs/dbraw/zinc/30/93/30/586309330.db2.gz OERUFLLYOYJZKF-UKRRQHHQSA-N 1 0 237.387 3.580 20 0 BHADRO CC1(C)CC[C@H]1Nc1cc[nH+]c2c(O)cccc12 ZINC000804852389 582617382 /nfs/dbraw/zinc/61/73/82/582617382.db2.gz ADECVGBBDBMRTN-CYBMUJFWSA-N 1 0 242.322 3.541 20 0 BHADRO CC1(C)CC[C@@H]1Nc1cc[nH+]c2c(O)cccc12 ZINC000804852390 582617217 /nfs/dbraw/zinc/61/72/17/582617217.db2.gz ADECVGBBDBMRTN-ZDUSSCGKSA-N 1 0 242.322 3.541 20 0 BHADRO C[N@H+](CCOC1CCC1)C1CCCCCCC1 ZINC000805740938 585828406 /nfs/dbraw/zinc/82/84/06/585828406.db2.gz RSSSLVSIWWFQPW-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805747002 644755662 /nfs/dbraw/zinc/75/56/62/644755662.db2.gz PGRFMEWFLCXKMP-HNNXBMFYSA-N 1 0 232.371 3.799 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805747003 644756299 /nfs/dbraw/zinc/75/62/99/644756299.db2.gz PGRFMEWFLCXKMP-OAHLLOKOSA-N 1 0 232.371 3.799 20 0 BHADRO Clc1cccc2c1C[N@H+](CC1CCCC1)C2 ZINC000805803382 585889417 /nfs/dbraw/zinc/88/94/17/585889417.db2.gz FFJJVVFWSYFVSC-UHFFFAOYSA-N 1 0 235.758 3.846 20 0 BHADRO CC[C@H](C)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805804817 585890366 /nfs/dbraw/zinc/89/03/66/585890366.db2.gz FDCNSCZCLLFQFM-JTQLQIEISA-N 1 0 223.747 3.702 20 0 BHADRO CC[C@@H](C)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805804819 585890349 /nfs/dbraw/zinc/89/03/49/585890349.db2.gz FDCNSCZCLLFQFM-SNVBAGLBSA-N 1 0 223.747 3.702 20 0 BHADRO CC(C)CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805804847 585890464 /nfs/dbraw/zinc/89/04/64/585890464.db2.gz FXUMXRIOQVSSHJ-UHFFFAOYSA-N 1 0 223.747 3.702 20 0 BHADRO Clc1cccc2c1C[N@@H+](C1CCCC1)C2 ZINC000805805865 585891122 /nfs/dbraw/zinc/89/11/22/585891122.db2.gz VJPICJCOPRTNNR-UHFFFAOYSA-N 1 0 221.731 3.598 20 0 BHADRO CCC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805839219 585909822 /nfs/dbraw/zinc/90/98/22/585909822.db2.gz OODIAVXJWNVWTQ-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805839221 585909923 /nfs/dbraw/zinc/90/99/23/585909923.db2.gz OODIAVXJWNVWTQ-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805839223 585909748 /nfs/dbraw/zinc/90/97/48/585909748.db2.gz OODIAVXJWNVWTQ-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805839224 585909941 /nfs/dbraw/zinc/90/99/41/585909941.db2.gz OODIAVXJWNVWTQ-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000806128483 586404600 /nfs/dbraw/zinc/40/46/00/586404600.db2.gz SXNQHUWRVUNZRI-CABCVRRESA-N 1 0 249.423 3.698 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000806128484 586404545 /nfs/dbraw/zinc/40/45/45/586404545.db2.gz SXNQHUWRVUNZRI-GJZGRUSLSA-N 1 0 249.423 3.698 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000806128485 586404781 /nfs/dbraw/zinc/40/47/81/586404781.db2.gz SXNQHUWRVUNZRI-HUUCEWRRSA-N 1 0 249.423 3.698 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000806128486 586404801 /nfs/dbraw/zinc/40/48/01/586404801.db2.gz SXNQHUWRVUNZRI-LSDHHAIUSA-N 1 0 249.423 3.698 20 0 BHADRO c1ccc(CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000806128648 586404462 /nfs/dbraw/zinc/40/44/62/586404462.db2.gz VBBNIXPXBJGJQA-DLBZAZTESA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000806128649 586404835 /nfs/dbraw/zinc/40/48/35/586404835.db2.gz VBBNIXPXBJGJQA-IAGOWNOFSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCCC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000806128650 586404956 /nfs/dbraw/zinc/40/49/56/586404956.db2.gz VBBNIXPXBJGJQA-IRXDYDNUSA-N 1 0 243.394 3.788 20 0 BHADRO c1ccc(CCCC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000806128651 586404561 /nfs/dbraw/zinc/40/45/61/586404561.db2.gz VBBNIXPXBJGJQA-SJORKVTESA-N 1 0 243.394 3.788 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OC(C)C)c1 ZINC000806131733 586404573 /nfs/dbraw/zinc/40/45/73/586404573.db2.gz OMVPKYUGJDJRIT-GDBMZVCRSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(OC(C)C)c1 ZINC000806131734 586404676 /nfs/dbraw/zinc/40/46/76/586404676.db2.gz OMVPKYUGJDJRIT-GOEBONIOSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OC(C)C)c1 ZINC000806131735 586404608 /nfs/dbraw/zinc/40/46/08/586404608.db2.gz OMVPKYUGJDJRIT-HOCLYGCPSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OC(C)C)c1 ZINC000806131736 586404877 /nfs/dbraw/zinc/40/48/77/586404877.db2.gz OMVPKYUGJDJRIT-ZBFHGGJFSA-N 1 0 247.382 3.752 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1OC ZINC000806131774 582554486 /nfs/dbraw/zinc/55/44/86/582554486.db2.gz MYZNOLGDFMPGKW-AEGPPILISA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccccc1OC ZINC000806131776 582554188 /nfs/dbraw/zinc/55/41/88/582554188.db2.gz MYZNOLGDFMPGKW-QEJZJMRPSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccccc1OC ZINC000806131777 582554381 /nfs/dbraw/zinc/55/43/81/582554381.db2.gz MYZNOLGDFMPGKW-SNPRPXQTSA-N 1 0 247.382 3.925 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccccc1OC ZINC000806131779 582554167 /nfs/dbraw/zinc/55/41/67/582554167.db2.gz MYZNOLGDFMPGKW-VHDGCEQUSA-N 1 0 247.382 3.925 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccc(F)c1 ZINC000806134088 582564702 /nfs/dbraw/zinc/56/47/02/582564702.db2.gz GRYALSWIWQMHBT-HFBAOOFYSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1cccc(F)c1 ZINC000806134089 582564660 /nfs/dbraw/zinc/56/46/60/582564660.db2.gz GRYALSWIWQMHBT-LYRGGWFBSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1cccc(F)c1 ZINC000806134090 582564120 /nfs/dbraw/zinc/56/41/20/582564120.db2.gz GRYALSWIWQMHBT-RLCCDNCMSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1cccc(F)c1 ZINC000806134091 582564475 /nfs/dbraw/zinc/56/44/75/582564475.db2.gz GRYALSWIWQMHBT-XFBWCDHKSA-N 1 0 247.357 3.707 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000806134799 582568359 /nfs/dbraw/zinc/56/83/59/582568359.db2.gz OBALWXUWQMAIJJ-JMSVASOKSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000806134801 582568322 /nfs/dbraw/zinc/56/83/22/582568322.db2.gz OBALWXUWQMAIJJ-LALPHHSUSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000806134802 582568286 /nfs/dbraw/zinc/56/82/86/582568286.db2.gz OBALWXUWQMAIJJ-YWPYICTPSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000806134804 582568257 /nfs/dbraw/zinc/56/82/57/582568257.db2.gz OBALWXUWQMAIJJ-ZOWXZIJZSA-N 1 0 235.346 3.707 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000806135932 582599428 /nfs/dbraw/zinc/59/94/28/582599428.db2.gz QBBPWWRCVDJOST-FMKPAKJESA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000806135933 582599037 /nfs/dbraw/zinc/59/90/37/582599037.db2.gz QBBPWWRCVDJOST-IIAWOOMASA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000806135934 582598954 /nfs/dbraw/zinc/59/89/54/582598954.db2.gz QBBPWWRCVDJOST-LZWOXQAQSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000806135935 582599201 /nfs/dbraw/zinc/59/92/01/582599201.db2.gz QBBPWWRCVDJOST-SQWLQELKSA-N 1 0 247.382 3.541 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCOc1cccc(C)c1 ZINC000806142847 586405372 /nfs/dbraw/zinc/40/53/72/586405372.db2.gz GLEMZZPYLVGBHW-GDBMZVCRSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]CCCOc1cccc(C)c1 ZINC000806142848 586405645 /nfs/dbraw/zinc/40/56/45/586405645.db2.gz GLEMZZPYLVGBHW-GOEBONIOSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCOc1cccc(C)c1 ZINC000806142849 585425571 /nfs/dbraw/zinc/42/55/71/585425571.db2.gz GLEMZZPYLVGBHW-HOCLYGCPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCOc1cccc(C)c1 ZINC000806142850 585425469 /nfs/dbraw/zinc/42/54/69/585425469.db2.gz GLEMZZPYLVGBHW-ZBFHGGJFSA-N 1 0 247.382 3.542 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000806144982 586405685 /nfs/dbraw/zinc/40/56/85/586405685.db2.gz ZEPBKEQZJYBUSW-CABCVRRESA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000806144983 586405487 /nfs/dbraw/zinc/40/54/87/586405487.db2.gz ZEPBKEQZJYBUSW-GJZGRUSLSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCNc1ccccc1 ZINC000806144984 586405382 /nfs/dbraw/zinc/40/53/82/586405382.db2.gz ZEPBKEQZJYBUSW-HUUCEWRRSA-N 1 0 246.398 3.513 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCNc1ccccc1 ZINC000806144985 586405621 /nfs/dbraw/zinc/40/56/21/586405621.db2.gz ZEPBKEQZJYBUSW-LSDHHAIUSA-N 1 0 246.398 3.513 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806164201 586406862 /nfs/dbraw/zinc/40/68/62/586406862.db2.gz OEVGIKBLRPRHKJ-KMUNFCNLSA-N 1 0 249.785 3.585 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000806164202 586406751 /nfs/dbraw/zinc/40/67/51/586406751.db2.gz OEVGIKBLRPRHKJ-ONERCXAPSA-N 1 0 249.785 3.585 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCSC(C)C ZINC000806167609 586406376 /nfs/dbraw/zinc/40/63/76/586406376.db2.gz BRXBFWUIYAHXGP-HNNXBMFYSA-N 1 0 249.423 3.714 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCSC(C)C ZINC000806167610 586405826 /nfs/dbraw/zinc/40/58/26/586405826.db2.gz BRXBFWUIYAHXGP-OAHLLOKOSA-N 1 0 249.423 3.714 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)n1 ZINC000806168926 586406493 /nfs/dbraw/zinc/40/64/93/586406493.db2.gz FRABAIMHNHQEAK-GXTWGEPZSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC2(C)C)c(C)n1 ZINC000806168927 586406481 /nfs/dbraw/zinc/40/64/81/586406481.db2.gz FRABAIMHNHQEAK-JSGCOSHPSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c(C)n1 ZINC000806168928 586407048 /nfs/dbraw/zinc/40/70/48/586407048.db2.gz FRABAIMHNHQEAK-OCCSQVGLSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c(C)n1 ZINC000806168929 586407153 /nfs/dbraw/zinc/40/71/53/586407153.db2.gz FRABAIMHNHQEAK-TZMCWYRMSA-N 1 0 232.371 3.538 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1(F)CCC1 ZINC000806176555 586407524 /nfs/dbraw/zinc/40/75/24/586407524.db2.gz SMHYPYIBHVTITM-HNNXBMFYSA-N 1 0 247.357 3.854 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC1(F)CCC1 ZINC000806176556 586407353 /nfs/dbraw/zinc/40/73/53/586407353.db2.gz SMHYPYIBHVTITM-OAHLLOKOSA-N 1 0 247.357 3.854 20 0 BHADRO Cc1ccc(C2=CC[N@H+](CC(C)C)CC2)cc1 ZINC000806611739 644853265 /nfs/dbraw/zinc/85/32/65/644853265.db2.gz IINYXGVKDOLPFB-UHFFFAOYSA-N 1 0 229.367 3.740 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H]1C)CCC2 ZINC000806660320 586415807 /nfs/dbraw/zinc/41/58/07/586415807.db2.gz BWGMPRFTWQWFJE-KCXAZCMYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H]1C)CCC2 ZINC000806660322 586415873 /nfs/dbraw/zinc/41/58/73/586415873.db2.gz BWGMPRFTWQWFJE-MAZHCROVSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H]1C)CCC2 ZINC000806660324 586416088 /nfs/dbraw/zinc/41/60/88/586416088.db2.gz BWGMPRFTWQWFJE-RCBQFDQVSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]1C)CCC2 ZINC000806660326 586415824 /nfs/dbraw/zinc/41/58/24/586415824.db2.gz BWGMPRFTWQWFJE-WQVCFCJDSA-N 1 0 229.367 3.761 20 0 BHADRO CCC[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000807256748 586430360 /nfs/dbraw/zinc/43/03/60/586430360.db2.gz ZPNQHTUVKYOKHU-RMKNXTFCSA-N 1 0 223.747 3.651 20 0 BHADRO CCC[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000807256749 586430561 /nfs/dbraw/zinc/43/05/61/586430561.db2.gz ZPNQHTUVKYOKHU-TWGQIWQCSA-N 1 0 223.747 3.651 20 0 BHADRO CC(C)CC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000807262985 586431079 /nfs/dbraw/zinc/43/10/79/586431079.db2.gz BGNTUFHGEOCJKX-CYBMUJFWSA-N 1 0 217.356 3.652 20 0 BHADRO CC(C)CC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000807262986 586431155 /nfs/dbraw/zinc/43/11/55/586431155.db2.gz BGNTUFHGEOCJKX-ZDUSSCGKSA-N 1 0 217.356 3.652 20 0 BHADRO C[N@H+](C/C=C/Cl)[C@@H]1CCCc2ccccc21 ZINC000807266803 586431278 /nfs/dbraw/zinc/43/12/78/586431278.db2.gz GOULCHSSQPKDBL-AZWQULSGSA-N 1 0 235.758 3.748 20 0 BHADRO C[N@H+](C/C=C\Cl)[C@H]1CCCc2ccccc21 ZINC000807266804 586430888 /nfs/dbraw/zinc/43/08/88/586430888.db2.gz GOULCHSSQPKDBL-MFNCVGGLSA-N 1 0 235.758 3.748 20 0 BHADRO C[N@H+](C/C=C/Cl)[C@H]1CCCc2ccccc21 ZINC000807266805 586431302 /nfs/dbraw/zinc/43/13/02/586431302.db2.gz GOULCHSSQPKDBL-SEIPJRMCSA-N 1 0 235.758 3.748 20 0 BHADRO C[N@H+](C/C=C\Cl)[C@@H]1CCCc2ccccc21 ZINC000807266806 586431273 /nfs/dbraw/zinc/43/12/73/586431273.db2.gz GOULCHSSQPKDBL-XTXQVDMPSA-N 1 0 235.758 3.748 20 0 BHADRO CC[C@H]1c2ccsc2CC[N@H+]1C/C=C\Cl ZINC000807278544 586431774 /nfs/dbraw/zinc/43/17/74/586431774.db2.gz STYGXEWZGQQMEJ-UUSYTGMJSA-N 1 0 241.787 3.810 20 0 BHADRO CC[C@@H]1c2ccsc2CC[N@H+]1C/C=C\Cl ZINC000807278545 586431898 /nfs/dbraw/zinc/43/18/98/586431898.db2.gz STYGXEWZGQQMEJ-ZTYXWKCZSA-N 1 0 241.787 3.810 20 0 BHADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C/C=C\Cl ZINC000807279501 586431748 /nfs/dbraw/zinc/43/17/48/586431748.db2.gz NNASSNQFROGLJO-GJQXAKHRSA-N 1 0 227.710 3.571 20 0 BHADRO C[C@H](c1ccc(F)cc1)[N@H+](C)C/C=C\Cl ZINC000807279502 586431619 /nfs/dbraw/zinc/43/16/19/586431619.db2.gz NNASSNQFROGLJO-WPKZPIIRSA-N 1 0 227.710 3.571 20 0 BHADRO Cc1ccc(C2=CC[N@H+](C/C=C\Cl)CC2)cc1 ZINC000807641482 586447864 /nfs/dbraw/zinc/44/78/64/586447864.db2.gz QVENCFVKRBCOOS-MBXJOHMKSA-N 1 0 247.769 3.837 20 0 BHADRO CC(C)=CCSCC[NH+](C(C)C)C(C)C ZINC000808028099 586460050 /nfs/dbraw/zinc/46/00/50/586460050.db2.gz HJGOBSAWQATLTI-UHFFFAOYSA-N 1 0 229.433 3.805 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](CC)CCO)C(C)(C)C ZINC000808697477 586483010 /nfs/dbraw/zinc/48/30/10/586483010.db2.gz KIVCDPDRAGYRQV-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](CC)CCO)C(C)(C)C ZINC000808697478 586483382 /nfs/dbraw/zinc/48/33/82/586483382.db2.gz KIVCDPDRAGYRQV-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+][C@@H](CC)CCO)C(C)(C)C ZINC000808697479 586483370 /nfs/dbraw/zinc/48/33/70/586483370.db2.gz KIVCDPDRAGYRQV-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+][C@H](CC)CCO)C(C)(C)C ZINC000808697480 586483336 /nfs/dbraw/zinc/48/33/36/586483336.db2.gz KIVCDPDRAGYRQV-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@@H](C)CCO)C(C)(C)C ZINC000808698115 586483074 /nfs/dbraw/zinc/48/30/74/586483074.db2.gz HUIUYXOLUUCXAP-KBPBESRZSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[C@H]([NH2+]C[C@H](C)CCO)C(C)(C)C ZINC000808698116 586482988 /nfs/dbraw/zinc/48/29/88/586482988.db2.gz HUIUYXOLUUCXAP-KGLIPLIRSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@@H](C)CCO)C(C)(C)C ZINC000808698117 586483254 /nfs/dbraw/zinc/48/32/54/586483254.db2.gz HUIUYXOLUUCXAP-UONOGXRCSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[C@@H]([NH2+]C[C@H](C)CCO)C(C)(C)C ZINC000808698118 586483524 /nfs/dbraw/zinc/48/35/24/586483524.db2.gz HUIUYXOLUUCXAP-ZIAGYGMSSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[C@H]([NH2+]CC[C@@H](O)CC)C(C)(C)C ZINC000808702456 586483105 /nfs/dbraw/zinc/48/31/05/586483105.db2.gz HVPQCJILVZBESE-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+]CC[C@H](O)CC)C(C)(C)C ZINC000808702458 586483262 /nfs/dbraw/zinc/48/32/62/586483262.db2.gz HVPQCJILVZBESE-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+]CC[C@@H](O)CC)C(C)(C)C ZINC000808702459 586483021 /nfs/dbraw/zinc/48/30/21/586483021.db2.gz HVPQCJILVZBESE-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+]CC[C@H](O)CC)C(C)(C)C ZINC000808702461 586483493 /nfs/dbraw/zinc/48/34/93/586483493.db2.gz HVPQCJILVZBESE-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CCC[N@H+](CCC(=O)C(C)C)Cc1ccccc1 ZINC000808705235 586483396 /nfs/dbraw/zinc/48/33/96/586483396.db2.gz BQZPWKMNRHPJDF-UHFFFAOYSA-N 1 0 247.382 3.514 20 0 BHADRO CCCC[NH+](CCCC)CCC(=O)C(C)C ZINC000808705397 586483369 /nfs/dbraw/zinc/48/33/69/586483369.db2.gz FVWLFEXUHBWANA-UHFFFAOYSA-N 1 0 227.392 3.504 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707839 586483266 /nfs/dbraw/zinc/48/32/66/586483266.db2.gz AFQVDYCURHBRPZ-BFQNTYOBSA-N 1 0 240.350 3.914 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707840 586483258 /nfs/dbraw/zinc/48/32/58/586483258.db2.gz AFQVDYCURHBRPZ-HSMVNMDESA-N 1 0 240.350 3.914 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707841 586483519 /nfs/dbraw/zinc/48/35/19/586483519.db2.gz AFQVDYCURHBRPZ-WQGACYEGSA-N 1 0 240.350 3.914 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707842 586483498 /nfs/dbraw/zinc/48/34/98/586483498.db2.gz AFQVDYCURHBRPZ-XHBSWPGZSA-N 1 0 240.350 3.914 20 0 BHADRO Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)C(C)C)cc1 ZINC000808708219 586483212 /nfs/dbraw/zinc/48/32/12/586483212.db2.gz DFCLCSCDQGIXCM-AWEZNQCLSA-N 1 0 247.382 3.603 20 0 BHADRO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)C(C)C)cc1 ZINC000808708225 586483132 /nfs/dbraw/zinc/48/31/32/586483132.db2.gz DFCLCSCDQGIXCM-CQSZACIVSA-N 1 0 247.382 3.603 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000808709573 586483279 /nfs/dbraw/zinc/48/32/79/586483279.db2.gz XQZAPHQAWREECD-NEPJUHHUSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000808709579 586482977 /nfs/dbraw/zinc/48/29/77/586482977.db2.gz XQZAPHQAWREECD-NWDGAFQWSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000808709581 586483403 /nfs/dbraw/zinc/48/34/03/586483403.db2.gz XQZAPHQAWREECD-RYUDHWBXSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000808709582 586483346 /nfs/dbraw/zinc/48/33/46/586483346.db2.gz XQZAPHQAWREECD-VXGBXAGGSA-N 1 0 238.350 3.525 20 0 BHADRO CCCCC[C@@H]([NH2+]CC(C)(C)CO)C(C)(C)C ZINC000808709834 586483113 /nfs/dbraw/zinc/48/31/13/586483113.db2.gz ZVIDPJINZRNZRP-CYBMUJFWSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[C@H]([NH2+]CC(C)(C)CO)C(C)(C)C ZINC000808709835 586484105 /nfs/dbraw/zinc/48/41/05/586484105.db2.gz ZVIDPJINZRNZRP-ZDUSSCGKSA-N 1 0 243.435 3.590 20 0 BHADRO CCCCC[N@H+](CCC(=O)C(C)C)C(C)C ZINC000808710024 586484147 /nfs/dbraw/zinc/48/41/47/586484147.db2.gz WQFRIDQOHNNNNM-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO CC(C)C(=O)CC[N@H+](Cc1ccccc1)C(C)C ZINC000808710288 586483615 /nfs/dbraw/zinc/48/36/15/586483615.db2.gz OVPLHFBRUDGTIP-UHFFFAOYSA-N 1 0 247.382 3.512 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C(C)(C)C ZINC000808714580 586483889 /nfs/dbraw/zinc/48/38/89/586483889.db2.gz ZJYVFMFTHBUTMV-IHRRRGAJSA-N 1 0 243.435 3.730 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C(C)(C)C ZINC000808714581 586483953 /nfs/dbraw/zinc/48/39/53/586483953.db2.gz ZJYVFMFTHBUTMV-MCIONIFRSA-N 1 0 243.435 3.730 20 0 BHADRO CCCCC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C(C)(C)C ZINC000808714582 586483927 /nfs/dbraw/zinc/48/39/27/586483927.db2.gz ZJYVFMFTHBUTMV-MJBXVCDLSA-N 1 0 243.435 3.730 20 0 BHADRO CCCCC[C@H]([NH2+][C@H](C)C[C@H](C)O)C(C)(C)C ZINC000808714583 586483666 /nfs/dbraw/zinc/48/36/66/586483666.db2.gz ZJYVFMFTHBUTMV-RDBSUJKOSA-N 1 0 243.435 3.730 20 0 BHADRO CC(C)C(=O)CC[N@H+](C)C1CCCCCCC1 ZINC000808716056 586483810 /nfs/dbraw/zinc/48/38/10/586483810.db2.gz QQOZDGPNCOHOTL-UHFFFAOYSA-N 1 0 239.403 3.646 20 0 BHADRO CC(C)C(=O)CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000808716500 586483595 /nfs/dbraw/zinc/48/35/95/586483595.db2.gz XOEZIUWWWDNXOQ-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C(=O)CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000808716502 586484154 /nfs/dbraw/zinc/48/41/54/586484154.db2.gz XOEZIUWWWDNXOQ-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[C@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000808716859 586483808 /nfs/dbraw/zinc/48/38/08/586483808.db2.gz XUYAINLAGWGLSP-KBPBESRZSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000808716860 586484047 /nfs/dbraw/zinc/48/40/47/586484047.db2.gz XUYAINLAGWGLSP-KGLIPLIRSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000808716861 586484115 /nfs/dbraw/zinc/48/41/15/586484115.db2.gz XUYAINLAGWGLSP-UONOGXRCSA-N 1 0 243.435 3.732 20 0 BHADRO CCCCC[C@@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000808716862 586483968 /nfs/dbraw/zinc/48/39/68/586483968.db2.gz XUYAINLAGWGLSP-ZIAGYGMSSA-N 1 0 243.435 3.732 20 0 BHADRO CC(C)C(=O)CC[N@H+](C)CCC1CCCCC1 ZINC000808718740 586484655 /nfs/dbraw/zinc/48/46/55/586484655.db2.gz PILWPVFJWXOQBL-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1F ZINC000808719594 586484244 /nfs/dbraw/zinc/48/42/44/586484244.db2.gz YHJXFSDNBZWLMS-NEPJUHHUSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1F ZINC000808719595 586484701 /nfs/dbraw/zinc/48/47/01/586484701.db2.gz YHJXFSDNBZWLMS-NWDGAFQWSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccnc1F ZINC000808719596 586484601 /nfs/dbraw/zinc/48/46/01/586484601.db2.gz YHJXFSDNBZWLMS-RYUDHWBXSA-N 1 0 238.350 3.525 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1F ZINC000808719598 586484258 /nfs/dbraw/zinc/48/42/58/586484258.db2.gz YHJXFSDNBZWLMS-VXGBXAGGSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808720268 586484586 /nfs/dbraw/zinc/48/45/86/586484586.db2.gz RHJGFSOBXIJPGP-CHWSQXEVSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@@H](C)[C@H](C)[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808720269 586484248 /nfs/dbraw/zinc/48/42/48/586484248.db2.gz RHJGFSOBXIJPGP-OLZOCXBDSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[C@@H](C)[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808720270 586484433 /nfs/dbraw/zinc/48/44/33/586484433.db2.gz RHJGFSOBXIJPGP-QWHCGFSZSA-N 1 0 239.403 3.501 20 0 BHADRO CC[C@H](C)[C@H](C)[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808720271 586484485 /nfs/dbraw/zinc/48/44/85/586484485.db2.gz RHJGFSOBXIJPGP-STQMWFEESA-N 1 0 239.403 3.501 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000808721164 586484557 /nfs/dbraw/zinc/48/45/57/586484557.db2.gz IVXLQYPFGMMRFG-BBRMVZONSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000808721165 586484520 /nfs/dbraw/zinc/48/45/20/586484520.db2.gz IVXLQYPFGMMRFG-CJNGLKHVSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721166 586484579 /nfs/dbraw/zinc/48/45/79/586484579.db2.gz IVXLQYPFGMMRFG-CZUORRHYSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721167 586484542 /nfs/dbraw/zinc/48/45/42/586484542.db2.gz IVXLQYPFGMMRFG-XJKSGUPXSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721758 586484314 /nfs/dbraw/zinc/48/43/14/586484314.db2.gz RYTMBJGHZAWZPM-OFQRWUPVSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721759 586484550 /nfs/dbraw/zinc/48/45/50/586484550.db2.gz RYTMBJGHZAWZPM-SQWLQELKSA-N 1 0 249.398 3.667 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000808721985 586484533 /nfs/dbraw/zinc/48/45/33/586484533.db2.gz WOMTUDXVARHUET-DZKIICNBSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000808721986 586484729 /nfs/dbraw/zinc/48/47/29/586484729.db2.gz WOMTUDXVARHUET-LZWOXQAQSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721987 586484422 /nfs/dbraw/zinc/48/44/22/586484422.db2.gz WOMTUDXVARHUET-OFQRWUPVSA-N 1 0 249.398 3.523 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721988 586484239 /nfs/dbraw/zinc/48/42/39/586484239.db2.gz WOMTUDXVARHUET-SQWLQELKSA-N 1 0 249.398 3.523 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000808721990 586484348 /nfs/dbraw/zinc/48/43/48/586484348.db2.gz WYHKMZHZSWRSKD-BPUTZDHNSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721991 586484738 /nfs/dbraw/zinc/48/47/38/586484738.db2.gz WYHKMZHZSWRSKD-CWRNSKLLSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000808721992 586484622 /nfs/dbraw/zinc/48/46/22/586484622.db2.gz WYHKMZHZSWRSKD-KBMXLJTQSA-N 1 0 249.398 3.667 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721993 586484521 /nfs/dbraw/zinc/48/45/21/586484521.db2.gz WYHKMZHZSWRSKD-VNQPRFMTSA-N 1 0 249.398 3.667 20 0 BHADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808729180 586485165 /nfs/dbraw/zinc/48/51/65/586485165.db2.gz VOWDCCOLOLZOCM-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808729181 586485167 /nfs/dbraw/zinc/48/51/67/586485167.db2.gz VOWDCCOLOLZOCM-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808729183 586485326 /nfs/dbraw/zinc/48/53/26/586485326.db2.gz VOWDCCOLOLZOCM-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808729184 586484824 /nfs/dbraw/zinc/48/48/24/586484824.db2.gz VOWDCCOLOLZOCM-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1CCC([N@H+](C)CCC(=O)C(C)C)CC1 ZINC000808732095 586268288 /nfs/dbraw/zinc/26/82/88/586268288.db2.gz ARZLPFMSOUEFFW-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C(=O)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000808732839 586485552 /nfs/dbraw/zinc/48/55/52/586485552.db2.gz UIHPUQRAOXHCBP-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@]1(C)CCC[N@H+](CCC(=O)C(C)C)C1 ZINC000808732884 586486221 /nfs/dbraw/zinc/48/62/21/586486221.db2.gz OBQXLAKOOVSLMQ-HNNXBMFYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@]1(C)CCC[N@H+](CCC(=O)C(C)C)C1 ZINC000808732885 586485860 /nfs/dbraw/zinc/48/58/60/586485860.db2.gz OBQXLAKOOVSLMQ-OAHLLOKOSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808734624 586485959 /nfs/dbraw/zinc/48/59/59/586485959.db2.gz ARONIZHGXQHVAA-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808734625 586485932 /nfs/dbraw/zinc/48/59/32/586485932.db2.gz ARONIZHGXQHVAA-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808734626 586485606 /nfs/dbraw/zinc/48/56/06/586485606.db2.gz ARONIZHGXQHVAA-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808734627 586486096 /nfs/dbraw/zinc/48/60/96/586486096.db2.gz ARONIZHGXQHVAA-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808735590 586486248 /nfs/dbraw/zinc/48/62/48/586486248.db2.gz SOMXSWGMKVLCLN-AWEZNQCLSA-N 1 0 239.403 3.646 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808735591 586486143 /nfs/dbraw/zinc/48/61/43/586486143.db2.gz SOMXSWGMKVLCLN-CQSZACIVSA-N 1 0 239.403 3.646 20 0 BHADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808735735 586486124 /nfs/dbraw/zinc/48/61/24/586486124.db2.gz ZEOCSBIBLMIRFU-AWEZNQCLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC[C@H]1CCC[N@@H+]1CCC(=O)C(C)C ZINC000808735736 586485947 /nfs/dbraw/zinc/48/59/47/586485947.db2.gz ZEOCSBIBLMIRFU-CQSZACIVSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808737849 586485545 /nfs/dbraw/zinc/48/55/45/586485545.db2.gz HISJDHNFPNBIGI-AWEZNQCLSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808737851 586486104 /nfs/dbraw/zinc/48/61/04/586486104.db2.gz HISJDHNFPNBIGI-CQSZACIVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)C(C)C ZINC000808737993 586485556 /nfs/dbraw/zinc/48/55/56/586485556.db2.gz SYQPMUDTUVKYJQ-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC(=O)C(C)C ZINC000808737994 586485953 /nfs/dbraw/zinc/48/59/53/586485953.db2.gz SYQPMUDTUVKYJQ-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)C(C)C ZINC000808737995 586485885 /nfs/dbraw/zinc/48/58/85/586485885.db2.gz SYQPMUDTUVKYJQ-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC(=O)C(C)C ZINC000808737996 586485797 /nfs/dbraw/zinc/48/57/97/586485797.db2.gz SYQPMUDTUVKYJQ-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1(CC)CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808748617 586487442 /nfs/dbraw/zinc/48/74/42/586487442.db2.gz VSQQAZZBPLJOMW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)C(=O)CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000808754631 586488804 /nfs/dbraw/zinc/48/88/04/586488804.db2.gz WBRLPUPCUAUZKY-ZDUSSCGKSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)C(=O)CC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000808757932 586489074 /nfs/dbraw/zinc/48/90/74/586489074.db2.gz WBRLPUPCUAUZKY-CYBMUJFWSA-N 1 0 239.403 3.502 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808777167 586488782 /nfs/dbraw/zinc/48/87/82/586488782.db2.gz ZOZRAWURXPIWIX-INIZCTEOSA-N 1 0 247.357 3.778 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808777168 586489263 /nfs/dbraw/zinc/48/92/63/586489263.db2.gz ZOZRAWURXPIWIX-MRXNPFEDSA-N 1 0 247.357 3.778 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808778146 586489659 /nfs/dbraw/zinc/48/96/59/586489659.db2.gz NYEXVIBROHYSOP-CYBMUJFWSA-N 1 0 241.444 3.640 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808778147 586489392 /nfs/dbraw/zinc/48/93/92/586489392.db2.gz NYEXVIBROHYSOP-ZDUSSCGKSA-N 1 0 241.444 3.640 20 0 BHADRO CCC(=O)CC[NH+]1CCC(C)(CC(C)C)CC1 ZINC000808778737 586489477 /nfs/dbraw/zinc/48/94/77/586489477.db2.gz FVMHHQQAJGGHSJ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccnc(Cl)c1 ZINC000808781761 586489792 /nfs/dbraw/zinc/48/97/92/586489792.db2.gz OSFLESQEKGWFMD-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000808781997 586489907 /nfs/dbraw/zinc/48/99/07/586489907.db2.gz AVVLQVDENZNFQF-UHFFFAOYSA-N 1 0 247.382 3.727 20 0 BHADRO CCC(CC)[N@H+](CC)CCC(=O)C(C)(C)C ZINC000808782102 586489367 /nfs/dbraw/zinc/48/93/67/586489367.db2.gz FQBYVIPEMOMONO-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000808782134 586489914 /nfs/dbraw/zinc/48/99/14/586489914.db2.gz GWIQYTULSDBANS-SECBINFHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC(CC)[N@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000808782135 586489510 /nfs/dbraw/zinc/48/95/10/586489510.db2.gz GWIQYTULSDBANS-VIFPVBQESA-N 1 0 238.202 3.691 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cccnc1Cl ZINC000808782193 586489968 /nfs/dbraw/zinc/48/99/68/586489968.db2.gz JDKWPRXUKIJURU-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CCC(CC)[N@H+](CC)CC[C@H](O)c1ccccc1 ZINC000808782280 586489588 /nfs/dbraw/zinc/48/95/88/586489588.db2.gz MONXIQSJXRMPAW-INIZCTEOSA-N 1 0 249.398 3.621 20 0 BHADRO CCC(CC)[N@H+](CC)CC[C@@H](O)c1ccccc1 ZINC000808782281 586489944 /nfs/dbraw/zinc/48/99/44/586489944.db2.gz MONXIQSJXRMPAW-MRXNPFEDSA-N 1 0 249.398 3.621 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC000808782400 586489858 /nfs/dbraw/zinc/48/98/58/586489858.db2.gz RICJAIORTLETAE-UHFFFAOYSA-N 1 0 238.375 3.809 20 0 BHADRO CCC(CC)[N@H+](CC)CCc1cccs1 ZINC000808782421 586489503 /nfs/dbraw/zinc/48/95/03/586489503.db2.gz SDEWERHLQBLQLQ-UHFFFAOYSA-N 1 0 225.401 3.801 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(Cl)nc1 ZINC000808782428 586489922 /nfs/dbraw/zinc/48/99/22/586489922.db2.gz SMAOAMQXGIJNCM-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cnc(Cl)s1 ZINC000808782481 586489853 /nfs/dbraw/zinc/48/98/53/586489853.db2.gz VIELNHNDHOVARE-UHFFFAOYSA-N 1 0 246.807 3.807 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cccc(Cl)n1 ZINC000808782497 586489708 /nfs/dbraw/zinc/48/97/08/586489708.db2.gz VSAVNDUWCDRKAM-UHFFFAOYSA-N 1 0 240.778 3.746 20 0 BHADRO CCCCCC[N@@H+]1CCCc2occc2C1 ZINC000808795159 586490376 /nfs/dbraw/zinc/49/03/76/586490376.db2.gz JKPKHPFEOYMZGX-UHFFFAOYSA-N 1 0 221.344 3.608 20 0 BHADRO Cc1ccncc1CCC[NH+]1CCCCCCC1 ZINC000809537716 586506418 /nfs/dbraw/zinc/50/64/18/586506418.db2.gz CLZSAGMDJJNIFS-UHFFFAOYSA-N 1 0 246.398 3.589 20 0 BHADRO CSC1(C[N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000809540056 644889037 /nfs/dbraw/zinc/88/90/37/644889037.db2.gz JGFKYVYYWYDYSQ-GFCCVEGCSA-N 1 0 247.407 3.501 20 0 BHADRO CSC1(C[N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000809540057 644889874 /nfs/dbraw/zinc/88/98/74/644889874.db2.gz JGFKYVYYWYDYSQ-LBPRGKRZSA-N 1 0 247.407 3.501 20 0 BHADRO CSC1(C[N@H+](C)C2CCCCCCC2)CC1 ZINC000809559523 712584329 /nfs/dbraw/zinc/58/43/29/712584329.db2.gz SISVHASIIQQHCM-UHFFFAOYSA-N 1 0 241.444 3.927 20 0 BHADRO CC1(C)CCC(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC000809566289 586507119 /nfs/dbraw/zinc/50/71/19/586507119.db2.gz YFHFEGUKECIDLB-UHFFFAOYSA-N 1 0 244.382 3.614 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000809568122 586507251 /nfs/dbraw/zinc/50/72/51/586507251.db2.gz UTYQILPTCOQBCV-INIZCTEOSA-N 1 0 246.398 3.841 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000809568123 586507421 /nfs/dbraw/zinc/50/74/21/586507421.db2.gz UTYQILPTCOQBCV-MRXNPFEDSA-N 1 0 246.398 3.841 20 0 BHADRO CCCCCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000809568381 586507373 /nfs/dbraw/zinc/50/73/73/586507373.db2.gz MNTIJPOECIGABX-UHFFFAOYSA-N 1 0 244.382 3.751 20 0 BHADRO CCC(=O)CCC[N@H+](C)C1CCCCCCC1 ZINC000809573784 644891473 /nfs/dbraw/zinc/89/14/73/644891473.db2.gz YBHNIAHAQVANEN-UHFFFAOYSA-N 1 0 239.403 3.790 20 0 BHADRO Cc1ccncc1CCC[N@@H+](C(C)C)C1CCC1 ZINC000809580042 586508592 /nfs/dbraw/zinc/50/85/92/586508592.db2.gz DVKDZRIDHZPAHO-UHFFFAOYSA-N 1 0 246.398 3.586 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCCc1cnccc1C ZINC000809603782 585248894 /nfs/dbraw/zinc/24/88/94/585248894.db2.gz WFAHBOQUHAHSNQ-HNNXBMFYSA-N 1 0 248.414 3.881 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000809603783 585248891 /nfs/dbraw/zinc/24/88/91/585248891.db2.gz WFAHBOQUHAHSNQ-OAHLLOKOSA-N 1 0 248.414 3.881 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000809609615 644893464 /nfs/dbraw/zinc/89/34/64/644893464.db2.gz MGUWILWNOKZMHT-KBPBESRZSA-N 1 0 249.398 3.512 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000809609617 644894121 /nfs/dbraw/zinc/89/41/21/644894121.db2.gz MGUWILWNOKZMHT-KGLIPLIRSA-N 1 0 249.398 3.512 20 0 BHADRO CC(C)C[C@H](C)C[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000809609619 644894255 /nfs/dbraw/zinc/89/42/55/644894255.db2.gz MGUWILWNOKZMHT-UONOGXRCSA-N 1 0 249.398 3.512 20 0 BHADRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000809609620 644893618 /nfs/dbraw/zinc/89/36/18/644893618.db2.gz MGUWILWNOKZMHT-ZIAGYGMSSA-N 1 0 249.398 3.512 20 0 BHADRO Cc1ccncc1CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000809621023 586509470 /nfs/dbraw/zinc/50/94/70/586509470.db2.gz YMNMMJULBJEPLD-AWEZNQCLSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1ccncc1CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000809621024 586509375 /nfs/dbraw/zinc/50/93/75/586509375.db2.gz YMNMMJULBJEPLD-CQSZACIVSA-N 1 0 248.414 3.594 20 0 BHADRO Cc1ccncc1CCC[NH2+]C(C(C)C)C(C)C ZINC000809628458 586510141 /nfs/dbraw/zinc/51/01/41/586510141.db2.gz JEWLDZWOVQZYRM-UHFFFAOYSA-N 1 0 248.414 3.593 20 0 BHADRO CSC1(C[NH2+]Cc2ccccc2C(C)C)CC1 ZINC000809650184 586510837 /nfs/dbraw/zinc/51/08/37/586510837.db2.gz QCNFBBPNOHLMSJ-UHFFFAOYSA-N 1 0 249.423 3.795 20 0 BHADRO Cc1cc(C[NH+]2CCC3(CCC3)CC2)c(C)o1 ZINC000809706853 586514080 /nfs/dbraw/zinc/51/40/80/586514080.db2.gz LZVARSHLWZUIPS-UHFFFAOYSA-N 1 0 233.355 3.663 20 0 BHADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccoc2)C1 ZINC000809715933 586514230 /nfs/dbraw/zinc/51/42/30/586514230.db2.gz OOUNISUHZYILRZ-BBRMVZONSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccoc2)C1 ZINC000809715935 586514138 /nfs/dbraw/zinc/51/41/38/586514138.db2.gz OOUNISUHZYILRZ-CJNGLKHVSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccoc2)C1 ZINC000809715937 586514157 /nfs/dbraw/zinc/51/41/57/586514157.db2.gz OOUNISUHZYILRZ-CZUORRHYSA-N 1 0 241.334 3.863 20 0 BHADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccoc2)C1 ZINC000809715939 586514175 /nfs/dbraw/zinc/51/41/75/586514175.db2.gz OOUNISUHZYILRZ-XJKSGUPXSA-N 1 0 241.334 3.863 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746837 586517245 /nfs/dbraw/zinc/51/72/45/586517245.db2.gz BMYAURLDANYDHU-CVEARBPZSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746838 586517082 /nfs/dbraw/zinc/51/70/82/586517082.db2.gz BMYAURLDANYDHU-HOTGVXAUSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@@H](CC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746839 586517159 /nfs/dbraw/zinc/51/71/59/586517159.db2.gz BMYAURLDANYDHU-HZPDHXFCSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H](CC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746840 586517026 /nfs/dbraw/zinc/51/70/26/586517026.db2.gz BMYAURLDANYDHU-JKSUJKDBSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747350 586517091 /nfs/dbraw/zinc/51/70/91/586517091.db2.gz POKYYMAJBASPSP-INIZCTEOSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC(CCC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747351 586517219 /nfs/dbraw/zinc/51/72/19/586517219.db2.gz POKYYMAJBASPSP-MRXNPFEDSA-N 1 0 249.398 3.669 20 0 BHADRO CCCC[C@H]([NH2+]C1CC(C(F)F)C1)C1CCC1 ZINC000809765355 586518687 /nfs/dbraw/zinc/51/86/87/586518687.db2.gz NAJJFDOGNKGEOR-BPCQOVAHSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCC1 ZINC000809765357 586518911 /nfs/dbraw/zinc/51/89/11/586518911.db2.gz NAJJFDOGNKGEOR-WXRRBKDZSA-N 1 0 245.357 3.979 20 0 BHADRO CCCC[C@H]([NH2+]C[C@H]1CCC=CO1)C1CCC1 ZINC000809765773 586518721 /nfs/dbraw/zinc/51/87/21/586518721.db2.gz QMDBQPMTEFJFFW-CABCVRRESA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CCC1 ZINC000809765774 586518318 /nfs/dbraw/zinc/51/83/18/586518318.db2.gz QMDBQPMTEFJFFW-GJZGRUSLSA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CCC1 ZINC000809765775 586518334 /nfs/dbraw/zinc/51/83/34/586518334.db2.gz QMDBQPMTEFJFFW-HUUCEWRRSA-N 1 0 237.387 3.628 20 0 BHADRO CCCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CCC1 ZINC000809765776 586518567 /nfs/dbraw/zinc/51/85/67/586518567.db2.gz QMDBQPMTEFJFFW-LSDHHAIUSA-N 1 0 237.387 3.628 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)oc1C ZINC000809768021 586518403 /nfs/dbraw/zinc/51/84/03/586518403.db2.gz AFCYEOXSYDXTRL-HZMBPMFUSA-N 1 0 221.344 3.659 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)oc1C ZINC000809768022 586518560 /nfs/dbraw/zinc/51/85/60/586518560.db2.gz AFCYEOXSYDXTRL-IINYFYTJSA-N 1 0 221.344 3.659 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)oc1C ZINC000809768023 586518856 /nfs/dbraw/zinc/51/88/56/586518856.db2.gz AFCYEOXSYDXTRL-QMTHXVAHSA-N 1 0 221.344 3.659 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)oc1C ZINC000809768024 586518675 /nfs/dbraw/zinc/51/86/75/586518675.db2.gz AFCYEOXSYDXTRL-YGRLFVJLSA-N 1 0 221.344 3.659 20 0 BHADRO CC1(C[N@@H+]2Cc3cccc(Cl)c3C2)CCC1 ZINC000809771145 586519452 /nfs/dbraw/zinc/51/94/52/586519452.db2.gz DWHHOALUJIPHKK-UHFFFAOYSA-N 1 0 235.758 3.846 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(C)o1 ZINC000809786464 586519874 /nfs/dbraw/zinc/51/98/74/586519874.db2.gz CCIFBXGSJNZKMM-AWEZNQCLSA-N 1 0 233.355 3.518 20 0 BHADRO Cc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(C)o1 ZINC000809786465 586519947 /nfs/dbraw/zinc/51/99/47/586519947.db2.gz CCIFBXGSJNZKMM-CQSZACIVSA-N 1 0 233.355 3.518 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC000809787523 586519649 /nfs/dbraw/zinc/51/96/49/586519649.db2.gz GUHHVDQNCRLIDT-UHFFFAOYSA-N 1 0 236.359 3.563 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccc(F)nc1C ZINC000809788501 586520231 /nfs/dbraw/zinc/52/02/31/586520231.db2.gz SBSLZQWGCPGLKY-UHFFFAOYSA-N 1 0 238.350 3.540 20 0 BHADRO CCCCCC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000810043003 586531793 /nfs/dbraw/zinc/53/17/93/586531793.db2.gz NUGVDAUWWPYWFF-AWEZNQCLSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCCC[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000810043007 586532137 /nfs/dbraw/zinc/53/21/37/586532137.db2.gz NUGVDAUWWPYWFF-CQSZACIVSA-N 1 0 241.419 3.846 20 0 BHADRO CCCCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045724 586532509 /nfs/dbraw/zinc/53/25/09/586532509.db2.gz UWPPTLLDLWPQEF-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CCCCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045725 586532592 /nfs/dbraw/zinc/53/25/92/586532592.db2.gz UWPPTLLDLWPQEF-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO CC1(C2CC2)CC[NH+](CCc2cccs2)CC1 ZINC000810064415 586533330 /nfs/dbraw/zinc/53/33/30/586533330.db2.gz GALMGSNRKQHJFZ-UHFFFAOYSA-N 1 0 249.423 3.803 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000810124348 586534570 /nfs/dbraw/zinc/53/45/70/586534570.db2.gz DKZYDFUDLLJCBG-CYBMUJFWSA-N 1 0 247.382 3.727 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000810124351 586534614 /nfs/dbraw/zinc/53/46/14/586534614.db2.gz DKZYDFUDLLJCBG-ZDUSSCGKSA-N 1 0 247.382 3.727 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000810125289 586534804 /nfs/dbraw/zinc/53/48/04/586534804.db2.gz RWNYHQVXLJSKNV-NXEZZACHSA-N 1 0 238.202 3.691 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000810125290 586534810 /nfs/dbraw/zinc/53/48/10/586534810.db2.gz RWNYHQVXLJSKNV-UWVGGRQHSA-N 1 0 238.202 3.691 20 0 BHADRO CCCC[C@H](C)[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000810125291 586535034 /nfs/dbraw/zinc/53/50/34/586535034.db2.gz RWNYHQVXLJSKNV-VHSXEESVSA-N 1 0 238.202 3.691 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000810125292 586534792 /nfs/dbraw/zinc/53/47/92/586534792.db2.gz RWNYHQVXLJSKNV-ZJUUUORDSA-N 1 0 238.202 3.691 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000810126102 586534863 /nfs/dbraw/zinc/53/48/63/586534863.db2.gz RTWCWYIMGKCRHA-GFCCVEGCSA-N 1 0 238.375 3.809 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000810126104 586534820 /nfs/dbraw/zinc/53/48/20/586534820.db2.gz RTWCWYIMGKCRHA-LBPRGKRZSA-N 1 0 238.375 3.809 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000810150742 586535459 /nfs/dbraw/zinc/53/54/59/586535459.db2.gz JXKYQUJGYHFJFU-FPMFFAJLSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)c2ccc[nH]2)C1 ZINC000810150743 586535732 /nfs/dbraw/zinc/53/57/32/586535732.db2.gz JXKYQUJGYHFJFU-IACUBPJLSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000810150744 586535523 /nfs/dbraw/zinc/53/55/23/586535523.db2.gz JXKYQUJGYHFJFU-UBHSHLNASA-N 1 0 232.371 3.658 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)c2ccc[nH]2)C1 ZINC000810150745 586535576 /nfs/dbraw/zinc/53/55/76/586535576.db2.gz JXKYQUJGYHFJFU-YUTCNCBUSA-N 1 0 232.371 3.658 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000810152960 586536347 /nfs/dbraw/zinc/53/63/47/586536347.db2.gz IQQNCEGWEVOFSE-GOTCIRLWSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000810152961 586536328 /nfs/dbraw/zinc/53/63/28/586536328.db2.gz IQQNCEGWEVOFSE-IYOFFGIQSA-N 1 0 233.399 3.901 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH2+]C23CCC(CC2)C3)C1 ZINC000810152962 585673788 /nfs/dbraw/zinc/67/37/88/585673788.db2.gz 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239.428 3.538 20 0 BHADRO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000811499127 586560092 /nfs/dbraw/zinc/56/00/92/586560092.db2.gz JKMXCEQWGFIFRA-AAEUAGOBSA-N 1 0 243.341 3.710 20 0 BHADRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000811499130 586559999 /nfs/dbraw/zinc/55/99/99/586559999.db2.gz JKMXCEQWGFIFRA-DGCLKSJQSA-N 1 0 243.341 3.710 20 0 BHADRO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000811499131 586559891 /nfs/dbraw/zinc/55/98/91/586559891.db2.gz JKMXCEQWGFIFRA-WCQYABFASA-N 1 0 243.341 3.710 20 0 BHADRO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(F)(F)CC2)C1 ZINC000811499132 586560114 /nfs/dbraw/zinc/56/01/14/586560114.db2.gz JKMXCEQWGFIFRA-YPMHNXCESA-N 1 0 243.341 3.710 20 0 BHADRO CCC[C@H](C)C[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000811511467 586560203 /nfs/dbraw/zinc/56/02/03/586560203.db2.gz JIZDYHUHRQYQEY-KBPBESRZSA-N 1 0 241.419 3.702 20 0 BHADRO CCC[C@@H](C)C[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000811511468 586560352 /nfs/dbraw/zinc/56/03/52/586560352.db2.gz 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C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCCC2CC2)C1 ZINC000813336608 644939870 /nfs/dbraw/zinc/93/98/70/644939870.db2.gz HWUKYCXDWDNONH-CZUORRHYSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCCC2CC2)C1 ZINC000813336610 644939291 /nfs/dbraw/zinc/93/92/91/644939291.db2.gz HWUKYCXDWDNONH-XJKSGUPXSA-N 1 0 244.382 3.655 20 0 BHADRO FC1(F)CCCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000813782701 586606389 /nfs/dbraw/zinc/60/63/89/586606389.db2.gz RZTOHLVTQSJUFO-LLVKDONJSA-N 1 0 243.297 3.585 20 0 BHADRO FC1(F)CCCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000813782702 586606484 /nfs/dbraw/zinc/60/64/84/586606484.db2.gz RZTOHLVTQSJUFO-NSHDSACASA-N 1 0 243.297 3.585 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000813873908 586608573 /nfs/dbraw/zinc/60/85/73/586608573.db2.gz AQBIXWDAXLQTAV-BMIGLBTASA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000813873915 586608648 /nfs/dbraw/zinc/60/86/48/586608648.db2.gz AQBIXWDAXLQTAV-BONVTDFDSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000813873917 586608635 /nfs/dbraw/zinc/60/86/35/586608635.db2.gz AQBIXWDAXLQTAV-MEBBXXQBSA-N 1 0 233.330 3.591 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000813873919 586608542 /nfs/dbraw/zinc/60/85/42/586608542.db2.gz AQBIXWDAXLQTAV-ZUZCIYMTSA-N 1 0 233.330 3.591 20 0 BHADRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c(C)o1 ZINC000814171477 586615474 /nfs/dbraw/zinc/61/54/74/586615474.db2.gz QJNGQWSIJPMINS-HNNXBMFYSA-N 1 0 247.382 3.907 20 0 BHADRO Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c(C)o1 ZINC000814171478 586615295 /nfs/dbraw/zinc/61/52/95/586615295.db2.gz QJNGQWSIJPMINS-OAHLLOKOSA-N 1 0 247.382 3.907 20 0 BHADRO Cc1cc(C[NH+]2CCC(C3CC3)CC2)c(C)o1 ZINC000814172661 586615452 /nfs/dbraw/zinc/61/54/52/586615452.db2.gz XUWZVOVWKPFXAA-UHFFFAOYSA-N 1 0 233.355 3.518 20 0 BHADRO Cc1cc(C[NH+](C2CCC2)C2CCC2)c(C)o1 ZINC000814177528 586615996 /nfs/dbraw/zinc/61/59/96/586615996.db2.gz FVTHIAXYLUXHHR-UHFFFAOYSA-N 1 0 233.355 3.803 20 0 BHADRO 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CCc1ccc([C@@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC000814641282 586627066 /nfs/dbraw/zinc/62/70/66/586627066.db2.gz DRPGTCZICSERQY-ACRUDFBXSA-N 1 0 249.785 3.791 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](C/C=C/Cl)C2)cc1 ZINC000814641283 586627038 /nfs/dbraw/zinc/62/70/38/586627038.db2.gz DRPGTCZICSERQY-RUFWOKOUSA-N 1 0 249.785 3.791 20 0 BHADRO CCc1ccc([C@@H]2CC[N@H+](C/C=C/Cl)C2)cc1 ZINC000814641284 586627285 /nfs/dbraw/zinc/62/72/85/586627285.db2.gz DRPGTCZICSERQY-RUGXIKGKSA-N 1 0 249.785 3.791 20 0 BHADRO CCc1ccc([C@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC000814641285 586626847 /nfs/dbraw/zinc/62/68/47/586626847.db2.gz DRPGTCZICSERQY-YHTRPRNISA-N 1 0 249.785 3.791 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642495 586626613 /nfs/dbraw/zinc/62/66/13/586626613.db2.gz QYTVTOGAVONPSU-KVEVGEHQSA-N 1 0 235.758 3.619 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642501 586626967 /nfs/dbraw/zinc/62/69/67/586626967.db2.gz QYTVTOGAVONPSU-UQYHUFHVSA-N 1 0 235.758 3.619 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642502 586627090 /nfs/dbraw/zinc/62/70/90/586627090.db2.gz QYTVTOGAVONPSU-VYLZPFMQSA-N 1 0 235.758 3.619 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642503 586627175 /nfs/dbraw/zinc/62/71/75/586627175.db2.gz QYTVTOGAVONPSU-VZUFXWRPSA-N 1 0 235.758 3.619 20 0 BHADRO FCc1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000814652855 586627716 /nfs/dbraw/zinc/62/77/16/586627716.db2.gz NMAXDUGGRXTAHE-MOQPWLNLSA-N 1 0 247.357 3.824 20 0 BHADRO FCc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000814652856 586627440 /nfs/dbraw/zinc/62/74/40/586627440.db2.gz NMAXDUGGRXTAHE-VDSRIPIWSA-N 1 0 247.357 3.824 20 0 BHADRO CCSCSCC[NH+](C(C)C)C(C)C ZINC000814756333 586632473 /nfs/dbraw/zinc/63/24/73/586632473.db2.gz MKTGJTZPTKROEI-UHFFFAOYSA-N 1 0 235.462 3.549 20 0 BHADRO CCCCCC[NH2+]Cc1cc(OC)ccc1F ZINC000815111252 586666918 /nfs/dbraw/zinc/66/69/18/586666918.db2.gz KRYJNQZZAYXDTB-UHFFFAOYSA-N 1 0 239.334 3.504 20 0 BHADRO Cc1sccc1C[NH2+]Cc1c(C)cccc1F ZINC000815127400 586668180 /nfs/dbraw/zinc/66/81/80/586668180.db2.gz SEUCARILCQWABB-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO Cc1sccc1C[NH2+]Cc1c(C)cccc1C ZINC000815129115 586669061 /nfs/dbraw/zinc/66/90/61/586669061.db2.gz GNBXPJKBCZDMAH-UHFFFAOYSA-N 1 0 245.391 3.963 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000815132635 586668744 /nfs/dbraw/zinc/66/87/44/586668744.db2.gz GTRPEDRTJPTNQT-LLVKDONJSA-N 1 0 248.757 3.827 20 0 BHADRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000815132636 586669161 /nfs/dbraw/zinc/66/91/61/586669161.db2.gz GTRPEDRTJPTNQT-NSHDSACASA-N 1 0 248.757 3.827 20 0 BHADRO Cc1cc(C[NH2+]C2CC(C(C)(C)C)C2)c(C)o1 ZINC000815146318 586670581 /nfs/dbraw/zinc/67/05/81/586670581.db2.gz DMJNJAIAMJRYIA-UHFFFAOYSA-N 1 0 235.371 3.811 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)c1cc[nH]c(=O)c1 ZINC000815148310 586670329 /nfs/dbraw/zinc/67/03/29/586670329.db2.gz RJJNKPABXCFXMM-GFCCVEGCSA-N 1 0 248.370 3.551 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)c1cc[nH]c(=O)c1 ZINC000815148311 586670232 /nfs/dbraw/zinc/67/02/32/586670232.db2.gz RJJNKPABXCFXMM-LBPRGKRZSA-N 1 0 248.370 3.551 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccoc1 ZINC000815151216 586670227 /nfs/dbraw/zinc/67/02/27/586670227.db2.gz LZCVMLWWZDUMLP-UHFFFAOYSA-N 1 0 229.323 3.613 20 0 BHADRO COc1c(C)cc(C[NH2+]C2(C(C)C)CC2)cc1C ZINC000815152005 586670095 /nfs/dbraw/zinc/67/00/95/586670095.db2.gz XGZHLBTXQSIERY-UHFFFAOYSA-N 1 0 247.382 3.590 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152082 586670103 /nfs/dbraw/zinc/67/01/03/586670103.db2.gz NFHFGHUTCSDUMG-SECBINFHSA-N 1 0 245.288 3.628 20 0 BHADRO CC(C)C[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152085 586670638 /nfs/dbraw/zinc/67/06/38/586670638.db2.gz NFHFGHUTCSDUMG-VIFPVBQESA-N 1 0 245.288 3.628 20 0 BHADRO CCC(CC)C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152389 586670643 /nfs/dbraw/zinc/67/06/43/586670643.db2.gz NYTIPJHJGYQOIQ-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO CCC[C@@H](C)C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152444 586670660 /nfs/dbraw/zinc/67/06/60/586670660.db2.gz TUHCCOOZIHQKLU-SECBINFHSA-N 1 0 245.288 3.630 20 0 BHADRO CCC[C@H](C)C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152445 586670178 /nfs/dbraw/zinc/67/01/78/586670178.db2.gz TUHCCOOZIHQKLU-VIFPVBQESA-N 1 0 245.288 3.630 20 0 BHADRO CC(C)CCC[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152755 586670451 /nfs/dbraw/zinc/67/04/51/586670451.db2.gz VFVDHZDNNZYSFO-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO Cc1cc(C[NH2+]CCC(C)(C)C2CC2)c(C)o1 ZINC000815161233 586671776 /nfs/dbraw/zinc/67/17/76/586671776.db2.gz BLAHZEMUNBTOJR-UHFFFAOYSA-N 1 0 235.371 3.812 20 0 BHADRO C[C@H](C[N@@H+]1C[C@@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000815164089 586672589 /nfs/dbraw/zinc/67/25/89/586672589.db2.gz YLICSIWHZSXBMP-IJLUTSLNSA-N 1 0 237.774 3.784 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000815164098 586672281 /nfs/dbraw/zinc/67/22/81/586672281.db2.gz YLICSIWHZSXBMP-QJPTWQEYSA-N 1 0 237.774 3.784 20 0 BHADRO C[C@H](C[N@@H+]1C[C@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000815164100 586672233 /nfs/dbraw/zinc/67/22/33/586672233.db2.gz YLICSIWHZSXBMP-TUAOUCFPSA-N 1 0 237.774 3.784 20 0 BHADRO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000815164101 586672193 /nfs/dbraw/zinc/67/21/93/586672193.db2.gz YLICSIWHZSXBMP-UTUOFQBUSA-N 1 0 237.774 3.784 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)[C@@H]1C ZINC000815166037 586672436 /nfs/dbraw/zinc/67/24/36/586672436.db2.gz YFAQJWIFGGDJQR-GHMZBOCLSA-N 1 0 231.364 3.742 20 0 BHADRO C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)[C@H]1C ZINC000815166038 586672420 /nfs/dbraw/zinc/67/24/20/586672420.db2.gz YFAQJWIFGGDJQR-MNOVXSKESA-N 1 0 231.364 3.742 20 0 BHADRO C[C@H]1C[N@H+](Cc2cc3ccccc3s2)[C@H]1C ZINC000815166039 586672190 /nfs/dbraw/zinc/67/21/90/586672190.db2.gz YFAQJWIFGGDJQR-QWRGUYRKSA-N 1 0 231.364 3.742 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000815166040 586672244 /nfs/dbraw/zinc/67/22/44/586672244.db2.gz YFAQJWIFGGDJQR-WDEREUQCSA-N 1 0 231.364 3.742 20 0 BHADRO CCCC[N@H+](CCF)[C@@H]1CCC[C@@H](C)C1 ZINC000815196077 586673396 /nfs/dbraw/zinc/67/33/96/586673396.db2.gz CYLULXHUMZCRLW-CHWSQXEVSA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[N@H+](CCF)[C@H]1CCC[C@@H](C)C1 ZINC000815196078 586673535 /nfs/dbraw/zinc/67/35/35/586673535.db2.gz CYLULXHUMZCRLW-OLZOCXBDSA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[N@H+](CCF)[C@@H]1CCC[C@H](C)C1 ZINC000815196079 586673274 /nfs/dbraw/zinc/67/32/74/586673274.db2.gz CYLULXHUMZCRLW-QWHCGFSZSA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[N@H+](CCF)[C@H]1CCC[C@H](C)C1 ZINC000815196080 586673450 /nfs/dbraw/zinc/67/34/50/586673450.db2.gz CYLULXHUMZCRLW-STQMWFEESA-N 1 0 215.356 3.637 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@@H]1CCC[C@H](C)C1 ZINC000815197790 586673351 /nfs/dbraw/zinc/67/33/51/586673351.db2.gz SGDHWAZBEJFJCY-DZGCQCFKSA-N 1 0 239.403 3.646 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@H]1CCC[C@@H](C)C1 ZINC000815197849 586673378 /nfs/dbraw/zinc/67/33/78/586673378.db2.gz SGDHWAZBEJFJCY-HIFRSBDPSA-N 1 0 239.403 3.646 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@@H]1CCC[C@@H](C)C1 ZINC000815197850 586673505 /nfs/dbraw/zinc/67/35/05/586673505.db2.gz SGDHWAZBEJFJCY-UKRRQHHQSA-N 1 0 239.403 3.646 20 0 BHADRO CCCC[N@H+](CCC(C)=O)[C@H]1CCC[C@H](C)C1 ZINC000815197851 586673512 /nfs/dbraw/zinc/67/35/12/586673512.db2.gz SGDHWAZBEJFJCY-ZFWWWQNUSA-N 1 0 239.403 3.646 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCF)CCCC ZINC000815201335 586673763 /nfs/dbraw/zinc/67/37/63/586673763.db2.gz OYROYLRPCJSNDU-GFCCVEGCSA-N 1 0 203.345 3.637 20 0 BHADRO CCCC[C@H](C)[N@H+](CCF)CCCC ZINC000815201339 586673809 /nfs/dbraw/zinc/67/38/09/586673809.db2.gz OYROYLRPCJSNDU-LBPRGKRZSA-N 1 0 203.345 3.637 20 0 BHADRO CCCC[C@@H](C)[N@H+](CCCC)CCC(C)=O ZINC000815202760 586673805 /nfs/dbraw/zinc/67/38/05/586673805.db2.gz YBKHXXLIOBMUBW-CYBMUJFWSA-N 1 0 227.392 3.646 20 0 BHADRO CCCC[C@H](C)[N@H+](CCCC)CCC(C)=O ZINC000815202773 586673799 /nfs/dbraw/zinc/67/37/99/586673799.db2.gz YBKHXXLIOBMUBW-ZDUSSCGKSA-N 1 0 227.392 3.646 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000815553861 586687697 /nfs/dbraw/zinc/68/76/97/586687697.db2.gz LVAASKGSBWQZII-CYBMUJFWSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000815553862 586687825 /nfs/dbraw/zinc/68/78/25/586687825.db2.gz LVAASKGSBWQZII-ZDUSSCGKSA-N 1 0 243.325 3.985 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1ccco1 ZINC000815553917 586687816 /nfs/dbraw/zinc/68/78/16/586687816.db2.gz NIRBHOYDRVSBMY-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1ccco1 ZINC000815553918 586687981 /nfs/dbraw/zinc/68/79/81/586687981.db2.gz NIRBHOYDRVSBMY-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccoc1 ZINC000815563833 586687700 /nfs/dbraw/zinc/68/77/00/586687700.db2.gz POSCEBWIWRANNX-LLVKDONJSA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccoc1 ZINC000815563834 586687921 /nfs/dbraw/zinc/68/79/21/586687921.db2.gz POSCEBWIWRANNX-NSHDSACASA-N 1 0 233.286 3.578 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000815566746 586687725 /nfs/dbraw/zinc/68/77/25/586687725.db2.gz DHFBTKKFNLLMGA-LLVKDONJSA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000815566747 586687955 /nfs/dbraw/zinc/68/79/55/586687955.db2.gz DHFBTKKFNLLMGA-NSHDSACASA-N 1 0 247.357 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000815568263 586687852 /nfs/dbraw/zinc/68/78/52/586687852.db2.gz BFXLTGGYDQUJFI-NEPJUHHUSA-N 1 0 235.346 3.831 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000815568264 586687564 /nfs/dbraw/zinc/68/75/64/586687564.db2.gz BFXLTGGYDQUJFI-NWDGAFQWSA-N 1 0 235.346 3.831 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000815568265 586687631 /nfs/dbraw/zinc/68/76/31/586687631.db2.gz BFXLTGGYDQUJFI-RYUDHWBXSA-N 1 0 235.346 3.831 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000815568266 586687714 /nfs/dbraw/zinc/68/77/14/586687714.db2.gz BFXLTGGYDQUJFI-VXGBXAGGSA-N 1 0 235.346 3.831 20 0 BHADRO Cc1occc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815568926 586687743 /nfs/dbraw/zinc/68/77/43/586687743.db2.gz ZAYDMTPTBGATFO-LLVKDONJSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1occc1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815568927 586687768 /nfs/dbraw/zinc/68/77/68/586687768.db2.gz ZAYDMTPTBGATFO-NSHDSACASA-N 1 0 247.313 3.886 20 0 BHADRO CCC1(C)CCC([NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000815586800 586688047 /nfs/dbraw/zinc/68/80/47/586688047.db2.gz RTWMQGXEEVXBOK-DNOWBOINSA-N 1 0 241.419 3.748 20 0 BHADRO CCC1(C)CCC([NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000815586801 586688371 /nfs/dbraw/zinc/68/83/71/586688371.db2.gz RTWMQGXEEVXBOK-OPFPJEHXSA-N 1 0 241.419 3.748 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000815587914 586688101 /nfs/dbraw/zinc/68/81/01/586688101.db2.gz XGKVMLQAWIFJAH-SECBINFHSA-N 1 0 249.251 3.737 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000815587915 586688321 /nfs/dbraw/zinc/68/83/21/586688321.db2.gz XGKVMLQAWIFJAH-VIFPVBQESA-N 1 0 249.251 3.737 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000815591266 586688300 /nfs/dbraw/zinc/68/83/00/586688300.db2.gz BNXUUBSUIKFSEA-GMXABZIVSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000815591267 586688409 /nfs/dbraw/zinc/68/84/09/586688409.db2.gz BNXUUBSUIKFSEA-IFUGULHKSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000815591268 586688045 /nfs/dbraw/zinc/68/80/45/586688045.db2.gz BNXUUBSUIKFSEA-ITDIGPHOSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000815591269 586688033 /nfs/dbraw/zinc/68/80/33/586688033.db2.gz BNXUUBSUIKFSEA-WBIUFABUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000815594261 586688839 /nfs/dbraw/zinc/68/88/39/586688839.db2.gz KJSGLRVWNWYBSB-GXTWGEPZSA-N 1 0 233.330 3.893 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000815594262 586688733 /nfs/dbraw/zinc/68/87/33/586688733.db2.gz KJSGLRVWNWYBSB-JSGCOSHPSA-N 1 0 233.330 3.893 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000815594263 586688441 /nfs/dbraw/zinc/68/84/41/586688441.db2.gz KJSGLRVWNWYBSB-OCCSQVGLSA-N 1 0 233.330 3.893 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000815594264 586688086 /nfs/dbraw/zinc/68/80/86/586688086.db2.gz KJSGLRVWNWYBSB-TZMCWYRMSA-N 1 0 233.330 3.893 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000815594274 586688919 /nfs/dbraw/zinc/68/89/19/586688919.db2.gz KQVKTXFLNVOWJU-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000815594275 586688654 /nfs/dbraw/zinc/68/86/54/586688654.db2.gz KQVKTXFLNVOWJU-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000815596195 586688816 /nfs/dbraw/zinc/68/88/16/586688816.db2.gz NKUXRFCPEJMNSD-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815596196 586688648 /nfs/dbraw/zinc/68/86/48/586688648.db2.gz NKUXRFCPEJMNSD-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000815596419 586688778 /nfs/dbraw/zinc/68/87/78/586688778.db2.gz TXAIOYVCAGQRLJ-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000815596420 586688709 /nfs/dbraw/zinc/68/87/09/586688709.db2.gz TXAIOYVCAGQRLJ-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000815596500 586688590 /nfs/dbraw/zinc/68/85/90/586688590.db2.gz WHZXJGURAPRSFL-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000815596501 586688899 /nfs/dbraw/zinc/68/88/99/586688899.db2.gz WHZXJGURAPRSFL-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000815598532 586688692 /nfs/dbraw/zinc/68/86/92/586688692.db2.gz XKFYVISPYGTBFR-GFCCVEGCSA-N 1 0 247.357 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000815598533 586688783 /nfs/dbraw/zinc/68/87/83/586688783.db2.gz XKFYVISPYGTBFR-LBPRGKRZSA-N 1 0 247.357 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000815598932 586688583 /nfs/dbraw/zinc/68/85/83/586688583.db2.gz GQLFDVZVNLDELW-NEPJUHHUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000815598933 586688812 /nfs/dbraw/zinc/68/88/12/586688812.db2.gz GQLFDVZVNLDELW-NWDGAFQWSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000815598934 586688675 /nfs/dbraw/zinc/68/86/75/586688675.db2.gz GQLFDVZVNLDELW-RYUDHWBXSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000815598935 586688926 /nfs/dbraw/zinc/68/89/26/586688926.db2.gz GQLFDVZVNLDELW-VXGBXAGGSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000815599047 586688806 /nfs/dbraw/zinc/68/88/06/586688806.db2.gz JMTUXZPDUJAQSI-NEPJUHHUSA-N 1 0 246.329 3.874 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000815599048 586688844 /nfs/dbraw/zinc/68/88/44/586688844.db2.gz JMTUXZPDUJAQSI-NWDGAFQWSA-N 1 0 246.329 3.874 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000815599049 586688852 /nfs/dbraw/zinc/68/88/52/586688852.db2.gz JMTUXZPDUJAQSI-RYUDHWBXSA-N 1 0 246.329 3.874 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000815599050 586688694 /nfs/dbraw/zinc/68/86/94/586688694.db2.gz JMTUXZPDUJAQSI-VXGBXAGGSA-N 1 0 246.329 3.874 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000815604008 586688622 /nfs/dbraw/zinc/68/86/22/586688622.db2.gz AWHBCSXAYSEYSY-NEPJUHHUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000815604009 586688912 /nfs/dbraw/zinc/68/89/12/586688912.db2.gz AWHBCSXAYSEYSY-NWDGAFQWSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000815604010 586688719 /nfs/dbraw/zinc/68/87/19/586688719.db2.gz AWHBCSXAYSEYSY-RYUDHWBXSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000815604011 586688663 /nfs/dbraw/zinc/68/86/63/586688663.db2.gz AWHBCSXAYSEYSY-VXGBXAGGSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000815606692 586688763 /nfs/dbraw/zinc/68/87/63/586688763.db2.gz DMBMSKPCMQOLIM-LLVKDONJSA-N 1 0 233.330 3.727 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000815606693 586688701 /nfs/dbraw/zinc/68/87/01/586688701.db2.gz DMBMSKPCMQOLIM-NSHDSACASA-N 1 0 233.330 3.727 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000815618665 586689406 /nfs/dbraw/zinc/68/94/06/586689406.db2.gz RAGLPPPVZPWYGV-JKOKRWQUSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000815618666 586689056 /nfs/dbraw/zinc/68/90/56/586689056.db2.gz RAGLPPPVZPWYGV-OSMZGAPFSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000815618667 586689177 /nfs/dbraw/zinc/68/91/77/586689177.db2.gz RAGLPPPVZPWYGV-SCDSUCTJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000815618668 586689105 /nfs/dbraw/zinc/68/91/05/586689105.db2.gz RAGLPPPVZPWYGV-VHRBIJSZSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000815620074 586689058 /nfs/dbraw/zinc/68/90/58/586689058.db2.gz GZLFKMDLLXVKSU-SECBINFHSA-N 1 0 243.272 3.582 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000815620075 586689121 /nfs/dbraw/zinc/68/91/21/586689121.db2.gz GZLFKMDLLXVKSU-VIFPVBQESA-N 1 0 243.272 3.582 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000815621795 586689107 /nfs/dbraw/zinc/68/91/07/586689107.db2.gz DUBZZFWFEIOBNH-GFCCVEGCSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000815621796 586689264 /nfs/dbraw/zinc/68/92/64/586689264.db2.gz DUBZZFWFEIOBNH-LBPRGKRZSA-N 1 0 235.346 3.975 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000815625546 586689072 /nfs/dbraw/zinc/68/90/72/586689072.db2.gz GRYWWLMUDORUHX-BXUZGUMPSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000815625547 586689487 /nfs/dbraw/zinc/68/94/87/586689487.db2.gz GRYWWLMUDORUHX-FZMZJTMJSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000815625548 586689432 /nfs/dbraw/zinc/68/94/32/586689432.db2.gz GRYWWLMUDORUHX-RISCZKNCSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000815625549 586689450 /nfs/dbraw/zinc/68/94/50/586689450.db2.gz GRYWWLMUDORUHX-SMDDNHRTSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815628694 586689494 /nfs/dbraw/zinc/68/94/94/586689494.db2.gz HNJMOLRHNXTHGR-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815628695 586689415 /nfs/dbraw/zinc/68/94/15/586689415.db2.gz HNJMOLRHNXTHGR-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000815630345 586689903 /nfs/dbraw/zinc/68/99/03/586689903.db2.gz FURUUBIWTOOWBH-DAXOMENPSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000815630346 586689694 /nfs/dbraw/zinc/68/96/94/586689694.db2.gz FURUUBIWTOOWBH-KCXAZCMYSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000815630347 586689557 /nfs/dbraw/zinc/68/95/57/586689557.db2.gz FURUUBIWTOOWBH-UHOFOFEASA-N 1 0 229.367 3.568 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000815630348 586689895 /nfs/dbraw/zinc/68/98/95/586689895.db2.gz FURUUBIWTOOWBH-WQVCFCJDSA-N 1 0 229.367 3.568 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815638293 586689836 /nfs/dbraw/zinc/68/98/36/586689836.db2.gz RYQRMVGHMCHAJX-GWCFXTLKSA-N 1 0 239.309 3.686 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815638294 586689627 /nfs/dbraw/zinc/68/96/27/586689627.db2.gz RYQRMVGHMCHAJX-GXFFZTMASA-N 1 0 239.309 3.686 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815638295 586689613 /nfs/dbraw/zinc/68/96/13/586689613.db2.gz RYQRMVGHMCHAJX-MFKMUULPSA-N 1 0 239.309 3.686 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815638296 586689752 /nfs/dbraw/zinc/68/97/52/586689752.db2.gz RYQRMVGHMCHAJX-ZWNOBZJWSA-N 1 0 239.309 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1c(CC)noc1C ZINC000815641124 586689869 /nfs/dbraw/zinc/68/98/69/586689869.db2.gz QAMVESCXMHWGGF-LLVKDONJSA-N 1 0 238.375 3.604 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1c(CC)noc1C ZINC000815641125 586689899 /nfs/dbraw/zinc/68/98/99/586689899.db2.gz QAMVESCXMHWGGF-NSHDSACASA-N 1 0 238.375 3.604 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC1(COC)CCC1 ZINC000815642416 586690118 /nfs/dbraw/zinc/69/01/18/586690118.db2.gz AYJOSKMLNWUIBN-AWEZNQCLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC1(COC)CCC1 ZINC000815642417 586690199 /nfs/dbraw/zinc/69/01/99/586690199.db2.gz AYJOSKMLNWUIBN-CQSZACIVSA-N 1 0 241.419 3.752 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000815644598 586690006 /nfs/dbraw/zinc/69/00/06/586690006.db2.gz GUXRZOMGDLFFOQ-BXUZGUMPSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000815644599 586690489 /nfs/dbraw/zinc/69/04/89/586690489.db2.gz GUXRZOMGDLFFOQ-FZMZJTMJSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000815644600 586690012 /nfs/dbraw/zinc/69/00/12/586690012.db2.gz GUXRZOMGDLFFOQ-RISCZKNCSA-N 1 0 245.391 3.832 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000815644601 586690485 /nfs/dbraw/zinc/69/04/85/586690485.db2.gz GUXRZOMGDLFFOQ-SMDDNHRTSA-N 1 0 245.391 3.832 20 0 BHADRO CC(C)C1([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000815647431 586690476 /nfs/dbraw/zinc/69/04/76/586690476.db2.gz KEVNHAWFZWUMMT-UHFFFAOYSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C(C)C)CC1 ZINC000815647448 586690269 /nfs/dbraw/zinc/69/02/69/586690269.db2.gz KPTKPXQKYZTBKX-HNNXBMFYSA-N 1 0 229.367 3.761 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1(C(C)C)CC1 ZINC000815647449 586690329 /nfs/dbraw/zinc/69/03/29/586690329.db2.gz KPTKPXQKYZTBKX-OAHLLOKOSA-N 1 0 229.367 3.761 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000815647690 586690441 /nfs/dbraw/zinc/69/04/41/586690441.db2.gz RKFRGNPAQFNMPU-CYBMUJFWSA-N 1 0 247.382 3.925 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000815647691 586690404 /nfs/dbraw/zinc/69/04/04/586690404.db2.gz RKFRGNPAQFNMPU-ZDUSSCGKSA-N 1 0 247.382 3.925 20 0 BHADRO CC(C)C1([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC000815647779 586690376 /nfs/dbraw/zinc/69/03/76/586690376.db2.gz UQFCCWAZQHBUBD-GFCCVEGCSA-N 1 0 235.346 3.535 20 0 BHADRO CC(C)C1([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC000815647780 586690315 /nfs/dbraw/zinc/69/03/15/586690315.db2.gz UQFCCWAZQHBUBD-LBPRGKRZSA-N 1 0 235.346 3.535 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000815647823 586690215 /nfs/dbraw/zinc/69/02/15/586690215.db2.gz WEWJWFPFPXGESU-GFCCVEGCSA-N 1 0 235.346 3.973 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000815647824 586690096 /nfs/dbraw/zinc/69/00/96/586690096.db2.gz WEWJWFPFPXGESU-LBPRGKRZSA-N 1 0 235.346 3.973 20 0 BHADRO C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)C(C)(C)C ZINC000815649597 586690282 /nfs/dbraw/zinc/69/02/82/586690282.db2.gz UKTPXVSTDVEKDH-MRVPVSSYSA-N 1 0 245.288 3.628 20 0 BHADRO C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)C(C)(C)C ZINC000815649598 586690013 /nfs/dbraw/zinc/69/00/13/586690013.db2.gz UKTPXVSTDVEKDH-QMMMGPOBSA-N 1 0 245.288 3.628 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649847 586690471 /nfs/dbraw/zinc/69/04/71/586690471.db2.gz AFHWSGLHMYLSBJ-JTQLQIEISA-N 1 0 245.288 3.772 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649848 586690496 /nfs/dbraw/zinc/69/04/96/586690496.db2.gz AFHWSGLHMYLSBJ-SNVBAGLBSA-N 1 0 245.288 3.772 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)C(C)C ZINC000815650308 586690031 /nfs/dbraw/zinc/69/00/31/586690031.db2.gz OBPAPACYZBWICE-CYBMUJFWSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@H]([NH2+]Cc1c(F)cc(F)cc1F)C(C)C ZINC000815650309 586690478 /nfs/dbraw/zinc/69/04/78/586690478.db2.gz OBPAPACYZBWICE-ZDUSSCGKSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650433 586690034 /nfs/dbraw/zinc/69/00/34/586690034.db2.gz RHCFQUYCQWLOGM-BDAKNGLRSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650434 586690010 /nfs/dbraw/zinc/69/00/10/586690010.db2.gz RHCFQUYCQWLOGM-DTWKUNHWSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650435 586690483 /nfs/dbraw/zinc/69/04/83/586690483.db2.gz RHCFQUYCQWLOGM-IUCAKERBSA-N 1 0 245.288 3.628 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650436 586690332 /nfs/dbraw/zinc/69/03/32/586690332.db2.gz RHCFQUYCQWLOGM-RKDXNWHRSA-N 1 0 245.288 3.628 20 0 BHADRO CCCC[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650644 586690155 /nfs/dbraw/zinc/69/01/55/586690155.db2.gz XTAOCKJOCWKTAG-SECBINFHSA-N 1 0 245.288 3.772 20 0 BHADRO CCCC[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650645 586690047 /nfs/dbraw/zinc/69/00/47/586690047.db2.gz XTAOCKJOCWKTAG-VIFPVBQESA-N 1 0 245.288 3.772 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000815659364 586690859 /nfs/dbraw/zinc/69/08/59/586690859.db2.gz AAAICKMADGDINC-ASHKBJFXSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000815659365 586690814 /nfs/dbraw/zinc/69/08/14/586690814.db2.gz AAAICKMADGDINC-BLTAXRJOSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000815659366 586690773 /nfs/dbraw/zinc/69/07/73/586690773.db2.gz AAAICKMADGDINC-JUFZMCDQSA-N 1 0 249.785 3.974 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000815659367 586690558 /nfs/dbraw/zinc/69/05/58/586690558.db2.gz AAAICKMADGDINC-RTWAVKEYSA-N 1 0 249.785 3.974 20 0 BHADRO Cc1sccc1C[NH+]1CCCCCCC1 ZINC000816481029 586735549 /nfs/dbraw/zinc/73/55/49/586735549.db2.gz GNJFBYBNGFBGKZ-UHFFFAOYSA-N 1 0 223.385 3.823 20 0 BHADRO Cc1nocc1C[N@@H+](C)C1CCCCCCC1 ZINC000816499722 586736654 /nfs/dbraw/zinc/73/66/54/586736654.db2.gz YOLLDMCLZDAPJZ-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1sccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000816509479 586737793 /nfs/dbraw/zinc/73/77/93/586737793.db2.gz RJEARXKEAYWPAH-UHFFFAOYSA-N 1 0 235.396 3.823 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](C)COc2ccccc2)CC1 ZINC000816541651 586739198 /nfs/dbraw/zinc/73/91/98/586739198.db2.gz REHOOGNRGCLHNK-CABCVRRESA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](C)COc2ccccc2)CC1 ZINC000816541652 586739196 /nfs/dbraw/zinc/73/91/96/586739196.db2.gz REHOOGNRGCLHNK-GJZGRUSLSA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](C)COc2ccccc2)CC1 ZINC000816541653 586739068 /nfs/dbraw/zinc/73/90/68/586739068.db2.gz REHOOGNRGCLHNK-HUUCEWRRSA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](C)COc2ccccc2)CC1 ZINC000816541654 586740195 /nfs/dbraw/zinc/74/01/95/586740195.db2.gz REHOOGNRGCLHNK-LSDHHAIUSA-N 1 0 245.366 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+]CCSC(C)(C)C)CC1 ZINC000816547679 586737679 /nfs/dbraw/zinc/73/76/79/586737679.db2.gz DZQNHXVDVOPTFG-GFCCVEGCSA-N 1 0 227.417 3.607 20 0 BHADRO CC1=CC[C@H]([NH2+]CCSC(C)(C)C)CC1 ZINC000816547680 586737541 /nfs/dbraw/zinc/73/75/41/586737541.db2.gz DZQNHXVDVOPTFG-LBPRGKRZSA-N 1 0 227.417 3.607 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000816550924 586739768 /nfs/dbraw/zinc/73/97/68/586739768.db2.gz IKMCCOCSZVTEIP-CHWSQXEVSA-N 1 0 209.377 3.757 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000816550925 586740049 /nfs/dbraw/zinc/74/00/49/586740049.db2.gz IKMCCOCSZVTEIP-OLZOCXBDSA-N 1 0 209.377 3.757 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000816550926 586740089 /nfs/dbraw/zinc/74/00/89/586740089.db2.gz IKMCCOCSZVTEIP-QWHCGFSZSA-N 1 0 209.377 3.757 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000816550927 586739865 /nfs/dbraw/zinc/73/98/65/586739865.db2.gz IKMCCOCSZVTEIP-STQMWFEESA-N 1 0 209.377 3.757 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000816554264 586740403 /nfs/dbraw/zinc/74/04/03/586740403.db2.gz SRWLMTQMNGITLO-CYBMUJFWSA-N 1 0 233.330 3.723 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CC=C(C)CC1 ZINC000816554265 586740834 /nfs/dbraw/zinc/74/08/34/586740834.db2.gz SRWLMTQMNGITLO-ZDUSSCGKSA-N 1 0 233.330 3.723 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC=C(C)CC1)SC ZINC000816554544 586740921 /nfs/dbraw/zinc/74/09/21/586740921.db2.gz BIAXITJBZXGWJG-CYBMUJFWSA-N 1 0 241.444 3.997 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC=C(C)CC1)SC ZINC000816554545 586740610 /nfs/dbraw/zinc/74/06/10/586740610.db2.gz BIAXITJBZXGWJG-ZDUSSCGKSA-N 1 0 241.444 3.997 20 0 BHADRO CC(C)(C)C(C)(C)C[NH2+]C1CC(C(F)F)C1 ZINC000816619197 586745248 /nfs/dbraw/zinc/74/52/48/586745248.db2.gz WRUDVOPAXDEOLI-UHFFFAOYSA-N 1 0 233.346 3.692 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)co1 ZINC000816619710 586745422 /nfs/dbraw/zinc/74/54/22/586745422.db2.gz RHLFPKXOZSKDOX-INIZCTEOSA-N 1 0 241.334 3.659 20 0 BHADRO c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)co1 ZINC000816619711 586745472 /nfs/dbraw/zinc/74/54/72/586745472.db2.gz RHLFPKXOZSKDOX-MRXNPFEDSA-N 1 0 241.334 3.659 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+]C2CC(C(F)F)C2)CC1 ZINC000816625226 586746432 /nfs/dbraw/zinc/74/64/32/586746432.db2.gz XIXBJFQWQSVMAC-KYTFYNBLSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)=CCC[C@@H](C)CC[N@H+](C)CCF ZINC000816639981 586747221 /nfs/dbraw/zinc/74/72/21/586747221.db2.gz NVYSIAMQGDDNMV-CYBMUJFWSA-N 1 0 215.356 3.660 20 0 BHADRO CC(C)=CCC[C@H](C)CC[N@H+](C)CCF ZINC000816639982 586747143 /nfs/dbraw/zinc/74/71/43/586747143.db2.gz NVYSIAMQGDDNMV-ZDUSSCGKSA-N 1 0 215.356 3.660 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H]1CCC=CO1 ZINC000816644455 586748175 /nfs/dbraw/zinc/74/81/75/586748175.db2.gz NEPVIRMYXFONMZ-AWEZNQCLSA-N 1 0 245.366 3.512 20 0 BHADRO Cc1ccccc1C(C)(C)[NH2+]C[C@H]1CCC=CO1 ZINC000816644456 586748022 /nfs/dbraw/zinc/74/80/22/586748022.db2.gz NEPVIRMYXFONMZ-CQSZACIVSA-N 1 0 245.366 3.512 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)[C@@H]1C ZINC000816646512 586749126 /nfs/dbraw/zinc/74/91/26/586749126.db2.gz FMINIQYMECHIBR-CHWSQXEVSA-N 1 0 241.334 3.787 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)[C@H]1C ZINC000816646513 586749324 /nfs/dbraw/zinc/74/93/24/586749324.db2.gz FMINIQYMECHIBR-OLZOCXBDSA-N 1 0 241.334 3.787 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000816646514 586749491 /nfs/dbraw/zinc/74/94/91/586749491.db2.gz FMINIQYMECHIBR-QWHCGFSZSA-N 1 0 241.334 3.787 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)[C@H]1C ZINC000816646515 586749060 /nfs/dbraw/zinc/74/90/60/586749060.db2.gz FMINIQYMECHIBR-STQMWFEESA-N 1 0 241.334 3.787 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCOc2ccccc2)[C@H]1C ZINC000816647490 586749172 /nfs/dbraw/zinc/74/91/72/586749172.db2.gz SZIQOVQRDIMLFC-CABCVRRESA-N 1 0 247.382 3.576 20 0 BHADRO C[C@H]1C[N@H+](CCCCCOc2ccccc2)[C@H]1C ZINC000816647491 586750839 /nfs/dbraw/zinc/75/08/39/586750839.db2.gz SZIQOVQRDIMLFC-GJZGRUSLSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1C[N@H+](CCCCCOc2ccccc2)[C@@H]1C ZINC000816647492 586750573 /nfs/dbraw/zinc/75/05/73/586750573.db2.gz SZIQOVQRDIMLFC-HUUCEWRRSA-N 1 0 247.382 3.576 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCCCOc1ccccc1 ZINC000816647493 586750431 /nfs/dbraw/zinc/75/04/31/586750431.db2.gz SZIQOVQRDIMLFC-LSDHHAIUSA-N 1 0 247.382 3.576 20 0 BHADRO CC(C)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000816647670 586750065 /nfs/dbraw/zinc/75/00/65/586750065.db2.gz WOQUVAKEONOSNA-KBPBESRZSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000816647671 586750943 /nfs/dbraw/zinc/75/09/43/586750943.db2.gz WOQUVAKEONOSNA-KGLIPLIRSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000816647672 586750544 /nfs/dbraw/zinc/75/05/44/586750544.db2.gz WOQUVAKEONOSNA-UONOGXRCSA-N 1 0 247.382 3.562 20 0 BHADRO CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000816647673 586750582 /nfs/dbraw/zinc/75/05/82/586750582.db2.gz WOQUVAKEONOSNA-ZIAGYGMSSA-N 1 0 247.382 3.562 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000816647946 586750011 /nfs/dbraw/zinc/75/00/11/586750011.db2.gz BBMGQDPETVPQTE-GHMZBOCLSA-N 1 0 229.323 3.581 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000816647947 586749868 /nfs/dbraw/zinc/74/98/68/586749868.db2.gz BBMGQDPETVPQTE-MNOVXSKESA-N 1 0 229.323 3.581 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816647948 586750640 /nfs/dbraw/zinc/75/06/40/586750640.db2.gz BBMGQDPETVPQTE-QWRGUYRKSA-N 1 0 229.323 3.581 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H]1C ZINC000816647949 586750612 /nfs/dbraw/zinc/75/06/12/586750612.db2.gz BBMGQDPETVPQTE-WDEREUQCSA-N 1 0 229.323 3.581 20 0 BHADRO C[C@H](CC[N@@H+]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000816648176 586751013 /nfs/dbraw/zinc/75/10/13/586751013.db2.gz GHOKPJOUHOAIGN-HZSPNIEDSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](CC[N@@H+]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000816648177 586751026 /nfs/dbraw/zinc/75/10/26/586751026.db2.gz GHOKPJOUHOAIGN-MCIONIFRSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](CC[N@@H+]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000816648178 586750151 /nfs/dbraw/zinc/75/01/51/586750151.db2.gz GHOKPJOUHOAIGN-MGPQQGTHSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@H](CC[N@@H+]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000816648179 586750155 /nfs/dbraw/zinc/75/01/55/586750155.db2.gz GHOKPJOUHOAIGN-RDBSUJKOSA-N 1 0 217.356 3.520 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H]1C ZINC000816648580 586751889 /nfs/dbraw/zinc/75/18/89/586751889.db2.gz MKXSAISULUPQHY-MUIFIZLQSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1C ZINC000816648581 586751680 /nfs/dbraw/zinc/75/16/80/586751680.db2.gz MKXSAISULUPQHY-SRABZTEZSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)[C@H]1C ZINC000816648582 586751793 /nfs/dbraw/zinc/75/17/93/586751793.db2.gz MKXSAISULUPQHY-WTTBNOFXSA-N 1 0 243.394 3.837 20 0 BHADRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@H]1C ZINC000816648583 586751337 /nfs/dbraw/zinc/75/13/37/586751337.db2.gz MKXSAISULUPQHY-YALNPMBYSA-N 1 0 243.394 3.837 20 0 BHADRO CCSc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648723 586748089 /nfs/dbraw/zinc/74/80/89/586748089.db2.gz OBDOMORNDYBEQI-NEPJUHHUSA-N 1 0 235.396 3.639 20 0 BHADRO CCSc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648724 586747711 /nfs/dbraw/zinc/74/77/11/586747711.db2.gz OBDOMORNDYBEQI-NWDGAFQWSA-N 1 0 235.396 3.639 20 0 BHADRO CCSc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648725 586747910 /nfs/dbraw/zinc/74/79/10/586747910.db2.gz OBDOMORNDYBEQI-RYUDHWBXSA-N 1 0 235.396 3.639 20 0 BHADRO CCSc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648726 586748023 /nfs/dbraw/zinc/74/80/23/586748023.db2.gz OBDOMORNDYBEQI-VXGBXAGGSA-N 1 0 235.396 3.639 20 0 BHADRO CC[C@H](C[N@@H+]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000816648988 584981481 /nfs/dbraw/zinc/98/14/81/584981481.db2.gz ROKAIDSFXWPXMI-BFHYXJOUSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C[N@@H+]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000816648989 584981569 /nfs/dbraw/zinc/98/15/69/584981569.db2.gz ROKAIDSFXWPXMI-HZSPNIEDSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C[N@@H+]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000816648990 584981648 /nfs/dbraw/zinc/98/16/48/584981648.db2.gz ROKAIDSFXWPXMI-MELADBBJSA-N 1 0 217.356 3.520 20 0 BHADRO CC[C@H](C[N@@H+]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000816648991 643556157 /nfs/dbraw/zinc/55/61/57/643556157.db2.gz ROKAIDSFXWPXMI-MGPQQGTHSA-N 1 0 217.356 3.520 20 0 BHADRO CC(C)(C)CC[NH2+]Cc1c(F)cc(F)cc1F ZINC000816650930 586752780 /nfs/dbraw/zinc/75/27/80/586752780.db2.gz JYTWXEXYSHIPIZ-UHFFFAOYSA-N 1 0 245.288 3.630 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1CC2(C1)CCCCC2 ZINC000817407474 644979545 /nfs/dbraw/zinc/97/95/45/644979545.db2.gz PURJNVSHEDRMLD-CYBMUJFWSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1CC2(C1)CCCCC2 ZINC000817407475 644979294 /nfs/dbraw/zinc/97/92/94/644979294.db2.gz PURJNVSHEDRMLD-ZDUSSCGKSA-N 1 0 247.382 3.913 20 0 BHADRO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccc[nH]1 ZINC000817408498 586800913 /nfs/dbraw/zinc/80/09/13/586800913.db2.gz IYVBTWAHUJYNGA-GFCCVEGCSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccc[nH]1 ZINC000817408499 586801315 /nfs/dbraw/zinc/80/13/15/586801315.db2.gz IYVBTWAHUJYNGA-LBPRGKRZSA-N 1 0 240.350 3.743 20 0 BHADRO CSCC[C@@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000817408718 586800821 /nfs/dbraw/zinc/80/08/21/586800821.db2.gz MHHZCLWJJMWUBX-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CSCC[C@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000817408719 586801295 /nfs/dbraw/zinc/80/12/95/586801295.db2.gz MHHZCLWJJMWUBX-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCCC2)c1ccc[nH]1 ZINC000817408779 586801147 /nfs/dbraw/zinc/80/11/47/586801147.db2.gz OMAWDQHCAGSGTD-GFCCVEGCSA-N 1 0 232.371 3.778 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCCC2)c1ccc[nH]1 ZINC000817408780 586801348 /nfs/dbraw/zinc/80/13/48/586801348.db2.gz OMAWDQHCAGSGTD-LBPRGKRZSA-N 1 0 232.371 3.778 20 0 BHADRO CC[C@@H](C)C[NH2+]Cc1cscc1Cl ZINC000817410093 586801012 /nfs/dbraw/zinc/80/10/12/586801012.db2.gz JGWOABDSAHDJQK-MRVPVSSYSA-N 1 0 217.765 3.537 20 0 BHADRO CC[C@H](C)C[NH2+]Cc1cscc1Cl ZINC000817410094 586801141 /nfs/dbraw/zinc/80/11/41/586801141.db2.gz JGWOABDSAHDJQK-QMMMGPOBSA-N 1 0 217.765 3.537 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000817410302 586801253 /nfs/dbraw/zinc/80/12/53/586801253.db2.gz KZHJFEMJXNAEDO-GFCCVEGCSA-N 1 0 234.387 3.757 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000817410319 586801285 /nfs/dbraw/zinc/80/12/85/586801285.db2.gz KZHJFEMJXNAEDO-LBPRGKRZSA-N 1 0 234.387 3.757 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCCC1(O)CCC1 ZINC000817414068 586801890 /nfs/dbraw/zinc/80/18/90/586801890.db2.gz FLRRHHRYASQOEL-AWEZNQCLSA-N 1 0 241.419 3.630 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCCC1(O)CCC1 ZINC000817414070 586801845 /nfs/dbraw/zinc/80/18/45/586801845.db2.gz FLRRHHRYASQOEL-CQSZACIVSA-N 1 0 241.419 3.630 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000817563336 586811840 /nfs/dbraw/zinc/81/18/40/586811840.db2.gz XEMMNYUJOQPSTH-LLVKDONJSA-N 1 0 240.778 3.966 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000817563337 586811673 /nfs/dbraw/zinc/81/16/73/586811673.db2.gz XEMMNYUJOQPSTH-NSHDSACASA-N 1 0 240.778 3.966 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579520 586812672 /nfs/dbraw/zinc/81/26/72/586812672.db2.gz BBDLNWYCSYJMNQ-NXEZZACHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579521 586812588 /nfs/dbraw/zinc/81/25/88/586812588.db2.gz BBDLNWYCSYJMNQ-UWVGGRQHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)C1(C)CC1 ZINC000817579522 586812721 /nfs/dbraw/zinc/81/27/21/586812721.db2.gz BBDLNWYCSYJMNQ-VHSXEESVSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579523 586812906 /nfs/dbraw/zinc/81/29/06/586812906.db2.gz BBDLNWYCSYJMNQ-ZJUUUORDSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1ccncc1Cl ZINC000817579725 586812772 /nfs/dbraw/zinc/81/27/72/586812772.db2.gz DSRDQYSEEGMLRQ-JTQLQIEISA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1ccncc1Cl ZINC000817579727 586812753 /nfs/dbraw/zinc/81/27/53/586812753.db2.gz DSRDQYSEEGMLRQ-SNVBAGLBSA-N 1 0 238.762 3.576 20 0 BHADRO c1ccc(-c2ccccc2C[NH2+][C@H]2CC23CC3)cc1 ZINC000818229044 586880494 /nfs/dbraw/zinc/88/04/94/586880494.db2.gz JYLWTLMFDIKYDM-KRWDZBQOSA-N 1 0 249.357 3.996 20 0 BHADRO c1ccc(-c2ccccc2C[NH2+][C@@H]2CC23CC3)cc1 ZINC000818229045 586880432 /nfs/dbraw/zinc/88/04/32/586880432.db2.gz JYLWTLMFDIKYDM-QGZVFWFLSA-N 1 0 249.357 3.996 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000818355051 586888352 /nfs/dbraw/zinc/88/83/52/586888352.db2.gz AWPOSHQCZBQLDO-DOMZBBRYSA-N 1 0 245.366 3.515 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000818355052 586888178 /nfs/dbraw/zinc/88/81/78/586888178.db2.gz AWPOSHQCZBQLDO-IUODEOHRSA-N 1 0 245.366 3.515 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC23CC3)cc1C ZINC000818355053 586888120 /nfs/dbraw/zinc/88/81/20/586888120.db2.gz AWPOSHQCZBQLDO-SWLSCSKDSA-N 1 0 245.366 3.515 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CC23CC3)cc1C ZINC000818355054 586888312 /nfs/dbraw/zinc/88/83/12/586888312.db2.gz AWPOSHQCZBQLDO-WFASDCNBSA-N 1 0 245.366 3.515 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818355909 586888394 /nfs/dbraw/zinc/88/83/94/586888394.db2.gz LAIHNSDQPBKUEZ-KGYLQXTDSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818355914 586887983 /nfs/dbraw/zinc/88/79/83/586887983.db2.gz LAIHNSDQPBKUEZ-WCFLWFBJSA-N 1 0 241.444 3.685 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818358544 586889251 /nfs/dbraw/zinc/88/92/51/586889251.db2.gz DYFYVELAUDBYMP-MHEUCROKSA-N 1 0 245.366 3.534 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818358545 586889217 /nfs/dbraw/zinc/88/92/17/586889217.db2.gz DYFYVELAUDBYMP-REBRKWNGSA-N 1 0 245.366 3.534 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818361207 586889684 /nfs/dbraw/zinc/88/96/84/586889684.db2.gz VMKJMEXHZNXLIP-FMSGJZPZSA-N 1 0 233.330 3.583 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818361208 586889581 /nfs/dbraw/zinc/88/95/81/586889581.db2.gz VMKJMEXHZNXLIP-NRWUCQMLSA-N 1 0 233.330 3.583 20 0 BHADRO [NH3+]CCCCCCCOc1ccccc1Cl ZINC000818618999 586907286 /nfs/dbraw/zinc/90/72/86/586907286.db2.gz XDQXKFROBBHKIO-UHFFFAOYSA-N 1 0 241.762 3.628 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+]C1CC1)c1ccco1 ZINC000820803333 587072680 /nfs/dbraw/zinc/07/26/80/587072680.db2.gz IWRSABHZIMNSSK-HNNXBMFYSA-N 1 0 241.334 3.624 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+]C1CC1)c1ccco1 ZINC000820803334 587072853 /nfs/dbraw/zinc/07/28/53/587072853.db2.gz IWRSABHZIMNSSK-OAHLLOKOSA-N 1 0 241.334 3.624 20 0 BHADRO c1ccc(C2([NH2+]C3CC4(CCC4)C3)CCC2)cc1 ZINC000820835670 587075786 /nfs/dbraw/zinc/07/57/86/587075786.db2.gz DOIURBXSJPAZCS-UHFFFAOYSA-N 1 0 241.378 3.988 20 0 BHADRO Fc1ccccc1C1([NH2+]C2CC3(CCC3)C2)CC1 ZINC000820836962 587076103 /nfs/dbraw/zinc/07/61/03/587076103.db2.gz UHNOSFZQPSGGQY-UHFFFAOYSA-N 1 0 245.341 3.737 20 0 BHADRO CCC[N@H+](CCC(C)(C)SC)CC1CC1 ZINC000820846823 587077099 /nfs/dbraw/zinc/07/70/99/587077099.db2.gz MMUPVYYEZBJGSV-UHFFFAOYSA-N 1 0 229.433 3.640 20 0 BHADRO CSC(C)(C)CC[N@H+](C)Cc1ccccc1 ZINC000820847235 587077075 /nfs/dbraw/zinc/07/70/75/587077075.db2.gz WKBRCWSKZZHLAH-UHFFFAOYSA-N 1 0 237.412 3.650 20 0 BHADRO CSC(C)(C)CC[N@@H+]1CCc2ccccc2C1 ZINC000820847320 587076925 /nfs/dbraw/zinc/07/69/25/587076925.db2.gz ZYPJYNCTYHRLKB-UHFFFAOYSA-N 1 0 249.423 3.576 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332626 587108117 /nfs/dbraw/zinc/10/81/17/587108117.db2.gz SANOHNYGPKCOJN-HNNXBMFYSA-N 1 0 246.398 3.841 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332627 587108354 /nfs/dbraw/zinc/10/83/54/587108354.db2.gz SANOHNYGPKCOJN-OAHLLOKOSA-N 1 0 246.398 3.841 20 0 BHADRO CCCCCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000821332788 587108559 /nfs/dbraw/zinc/10/85/59/587108559.db2.gz VKYJCCGDYJEAEV-UHFFFAOYSA-N 1 0 244.382 3.751 20 0 BHADRO Cc1nsc(C)c1C[NH+]1CCCCCCC1 ZINC000821341825 587109234 /nfs/dbraw/zinc/10/92/34/587109234.db2.gz FXENXHDRQUXJJI-UHFFFAOYSA-N 1 0 238.400 3.526 20 0 BHADRO Cc1nc(C[N@@H+](C)C2CCCCCCC2)co1 ZINC000821362901 587112379 /nfs/dbraw/zinc/11/23/79/587112379.db2.gz QOXYGCFCSZUEBJ-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO CC(C)n1cncc1C[NH+]1CCCCCCCC1 ZINC000822485994 587171504 /nfs/dbraw/zinc/17/15/04/587171504.db2.gz XCNNXUTUMJWWMU-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO FC(F)C1CC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000822540083 587174022 /nfs/dbraw/zinc/17/40/22/587174022.db2.gz VYOMDLICVAWPMS-GMKTYKIGSA-N 1 0 243.341 3.589 20 0 BHADRO CCCC[N@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC000822570005 587175611 /nfs/dbraw/zinc/17/56/11/587175611.db2.gz DJWMDZASLJXIEU-JTQLQIEISA-N 1 0 238.202 3.692 20 0 BHADRO CCCC[N@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC000822570006 587175355 /nfs/dbraw/zinc/17/53/55/587175355.db2.gz DJWMDZASLJXIEU-SNVBAGLBSA-N 1 0 238.202 3.692 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822570354 587175531 /nfs/dbraw/zinc/17/55/31/587175531.db2.gz KCRCRPVHSFKBBR-NXEZZACHSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822570356 587175518 /nfs/dbraw/zinc/17/55/18/587175518.db2.gz KCRCRPVHSFKBBR-UWVGGRQHSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822570357 587175697 /nfs/dbraw/zinc/17/56/97/587175697.db2.gz KCRCRPVHSFKBBR-VHSXEESVSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822570359 587175695 /nfs/dbraw/zinc/17/56/95/587175695.db2.gz KCRCRPVHSFKBBR-ZJUUUORDSA-N 1 0 238.202 3.547 20 0 BHADRO CC[N@H+](CC[C@H]1CC1(Cl)Cl)CC(C)C ZINC000822579626 587175908 /nfs/dbraw/zinc/17/59/08/587175908.db2.gz GZPOEJPDAIPTAL-JTQLQIEISA-N 1 0 238.202 3.548 20 0 BHADRO CC[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(C)C ZINC000822579628 587176047 /nfs/dbraw/zinc/17/60/47/587176047.db2.gz GZPOEJPDAIPTAL-SNVBAGLBSA-N 1 0 238.202 3.548 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822579780 587175937 /nfs/dbraw/zinc/17/59/37/587175937.db2.gz IJFJWWZXICMDGV-NXEZZACHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@H](C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822579781 587176028 /nfs/dbraw/zinc/17/60/28/587176028.db2.gz IJFJWWZXICMDGV-UWVGGRQHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822579782 587175762 /nfs/dbraw/zinc/17/57/62/587175762.db2.gz IJFJWWZXICMDGV-VHSXEESVSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822579783 587176183 /nfs/dbraw/zinc/17/61/83/587176183.db2.gz IJFJWWZXICMDGV-ZJUUUORDSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[NH+](CCC)CC[C@H]1CC1(Cl)Cl ZINC000822579846 587176129 /nfs/dbraw/zinc/17/61/29/587176129.db2.gz LDDCUEVONKWYFD-JTQLQIEISA-N 1 0 238.202 3.692 20 0 BHADRO CCC[NH+](CCC)CC[C@@H]1CC1(Cl)Cl ZINC000822579847 587175770 /nfs/dbraw/zinc/17/57/70/587175770.db2.gz LDDCUEVONKWYFD-SNVBAGLBSA-N 1 0 238.202 3.692 20 0 BHADRO CC(C)CC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822583539 587176519 /nfs/dbraw/zinc/17/65/19/587176519.db2.gz OLMNRGHZNYERAX-JTQLQIEISA-N 1 0 238.202 3.548 20 0 BHADRO CC(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822583540 587176486 /nfs/dbraw/zinc/17/64/86/587176486.db2.gz OLMNRGHZNYERAX-SNVBAGLBSA-N 1 0 238.202 3.548 20 0 BHADRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(C)(C)C ZINC000822602818 587176884 /nfs/dbraw/zinc/17/68/84/587176884.db2.gz RVCBVIJMWYJKNK-SECBINFHSA-N 1 0 238.202 3.548 20 0 BHADRO C[N@H+](CC[C@H]1CC1(Cl)Cl)CC(C)(C)C ZINC000822602819 587177272 /nfs/dbraw/zinc/17/72/72/587177272.db2.gz RVCBVIJMWYJKNK-VIFPVBQESA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822616933 587178241 /nfs/dbraw/zinc/17/82/41/587178241.db2.gz KEISNFDMRXWHSI-NXEZZACHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822616934 587178085 /nfs/dbraw/zinc/17/80/85/587178085.db2.gz KEISNFDMRXWHSI-UWVGGRQHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822616935 587178175 /nfs/dbraw/zinc/17/81/75/587178175.db2.gz KEISNFDMRXWHSI-VHSXEESVSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@@H](C)C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822616936 587178190 /nfs/dbraw/zinc/17/81/90/587178190.db2.gz KEISNFDMRXWHSI-ZJUUUORDSA-N 1 0 238.202 3.548 20 0 BHADRO CCC(C)(C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822746673 587183656 /nfs/dbraw/zinc/18/36/56/587183656.db2.gz MHDAMNLLLUTNFG-SECBINFHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC(C)(C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822746674 587183714 /nfs/dbraw/zinc/18/37/14/587183714.db2.gz MHDAMNLLLUTNFG-VIFPVBQESA-N 1 0 238.202 3.691 20 0 BHADRO CC(C)[NH+](CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000822807865 587187286 /nfs/dbraw/zinc/18/72/86/587187286.db2.gz JMHFPMORSGCDCB-JTQLQIEISA-N 1 0 238.202 3.689 20 0 BHADRO CC(C)[NH+](CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000822807866 587187000 /nfs/dbraw/zinc/18/70/00/587187000.db2.gz JMHFPMORSGCDCB-SNVBAGLBSA-N 1 0 238.202 3.689 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccoc1 ZINC000822845347 587189249 /nfs/dbraw/zinc/18/92/49/587189249.db2.gz MTIASHIVRANKSM-PSASIEDQSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccoc1 ZINC000822845348 587189207 /nfs/dbraw/zinc/18/92/07/587189207.db2.gz MTIASHIVRANKSM-SCZZXKLOSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccoc1 ZINC000822845349 587189123 /nfs/dbraw/zinc/18/91/23/587189123.db2.gz MTIASHIVRANKSM-WCBMZHEXSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccoc1 ZINC000822845350 587189320 /nfs/dbraw/zinc/18/93/20/587189320.db2.gz MTIASHIVRANKSM-WPRPVWTQSA-N 1 0 248.153 3.514 20 0 BHADRO ClC1(Cl)C[C@@H]1CC[N@@H+]1CCCC12CCC2 ZINC000822977279 587196424 /nfs/dbraw/zinc/19/64/24/587196424.db2.gz QOFGLYRZHZUAJF-JTQLQIEISA-N 1 0 248.197 3.589 20 0 BHADRO ClC1(Cl)C[C@H]1CC[N@@H+]1CCCC12CCC2 ZINC000822977281 587196067 /nfs/dbraw/zinc/19/60/67/587196067.db2.gz QOFGLYRZHZUAJF-SNVBAGLBSA-N 1 0 248.197 3.589 20 0 BHADRO CC1=C(C)C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822996387 587197414 /nfs/dbraw/zinc/19/74/14/587197414.db2.gz LULNTANZMYGMNS-LLVKDONJSA-N 1 0 248.197 3.612 20 0 BHADRO CC1=C(C)C[N@H+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822996388 587197283 /nfs/dbraw/zinc/19/72/83/587197283.db2.gz LULNTANZMYGMNS-NSHDSACASA-N 1 0 248.197 3.612 20 0 BHADRO c1c2cccnc2oc1C[NH+]1CCCCCCC1 ZINC000823382704 587218878 /nfs/dbraw/zinc/21/88/78/587218878.db2.gz MSIAGTIPAFRBEO-UHFFFAOYSA-N 1 0 244.338 3.594 20 0 BHADRO CCCCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823585472 587231998 /nfs/dbraw/zinc/23/19/98/587231998.db2.gz ZTXYQDAVAKGYED-UHFFFAOYSA-N 1 0 244.741 3.544 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000823608733 587232821 /nfs/dbraw/zinc/23/28/21/587232821.db2.gz KSWCHPDQHZBHJK-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000823608764 587232982 /nfs/dbraw/zinc/23/29/82/587232982.db2.gz KSWCHPDQHZBHJK-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1ccncc1F ZINC000823609219 587232946 /nfs/dbraw/zinc/23/29/46/587232946.db2.gz QVOUSQNMJBMFES-GFCCVEGCSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1ccncc1F ZINC000823609220 587232641 /nfs/dbraw/zinc/23/26/41/587232641.db2.gz QVOUSQNMJBMFES-LBPRGKRZSA-N 1 0 238.350 3.669 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000823609550 587232679 /nfs/dbraw/zinc/23/26/79/587232679.db2.gz YSLDASGYTYOIIN-GFCCVEGCSA-N 1 0 246.354 3.886 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000823609551 587232708 /nfs/dbraw/zinc/23/27/08/587232708.db2.gz YSLDASGYTYOIIN-LBPRGKRZSA-N 1 0 246.354 3.886 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000823670966 587235743 /nfs/dbraw/zinc/23/57/43/587235743.db2.gz GLYRCCILNTXJRB-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000823670967 587235739 /nfs/dbraw/zinc/23/57/39/587235739.db2.gz GLYRCCILNTXJRB-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1ccnc(Cl)c1F ZINC000823788618 587240706 /nfs/dbraw/zinc/24/07/06/587240706.db2.gz CVPQCHNTTIIEFQ-UHFFFAOYSA-N 1 0 244.741 3.542 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1ccnc(Cl)c1F ZINC000823818678 587241478 /nfs/dbraw/zinc/24/14/78/587241478.db2.gz OBJGICNZTFNNQZ-JTQLQIEISA-N 1 0 244.741 3.542 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1ccnc(Cl)c1F ZINC000823818679 587241527 /nfs/dbraw/zinc/24/15/27/587241527.db2.gz OBJGICNZTFNNQZ-SNVBAGLBSA-N 1 0 244.741 3.542 20 0 BHADRO CC(C)c1cc(C[NH2+][C@H](C)CC(C)(C)C)on1 ZINC000823848656 587242897 /nfs/dbraw/zinc/24/28/97/587242897.db2.gz ZUTACUCBMQPIOB-LLVKDONJSA-N 1 0 238.375 3.712 20 0 BHADRO CC(C)c1cc(C[NH2+][C@@H](C)CC(C)(C)C)on1 ZINC000823848658 587243196 /nfs/dbraw/zinc/24/31/96/587243196.db2.gz ZUTACUCBMQPIOB-NSHDSACASA-N 1 0 238.375 3.712 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1ccnc(Cl)c1F ZINC000823866969 587244622 /nfs/dbraw/zinc/24/46/22/587244622.db2.gz VQDMBIPAEUSFGE-UHFFFAOYSA-N 1 0 244.741 3.542 20 0 BHADRO C[C@H](C[NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000823876533 587245298 /nfs/dbraw/zinc/24/52/98/587245298.db2.gz OOMRZDVNWJGWRQ-LLVKDONJSA-N 1 0 246.354 3.600 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000823876535 587245164 /nfs/dbraw/zinc/24/51/64/587245164.db2.gz OOMRZDVNWJGWRQ-NSHDSACASA-N 1 0 246.354 3.600 20 0 BHADRO COCC1CCC([NH2+]CCCCC(C)C)CC1 ZINC000823931234 587246215 /nfs/dbraw/zinc/24/62/15/587246215.db2.gz CYOTXTZSWVEZIC-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO Cc1cc(C[NH2+]Cc2c(C)cccc2F)cs1 ZINC000823949860 587246703 /nfs/dbraw/zinc/24/67/03/587246703.db2.gz WXUKTZMRHMLJCQ-UHFFFAOYSA-N 1 0 249.354 3.794 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCNc1ccccc1 ZINC000823960896 587247168 /nfs/dbraw/zinc/24/71/68/587247168.db2.gz HCXKHOMBIXZWRI-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCNc1ccccc1 ZINC000823960897 587247415 /nfs/dbraw/zinc/24/74/15/587247415.db2.gz HCXKHOMBIXZWRI-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000823961083 587247233 /nfs/dbraw/zinc/24/72/33/587247233.db2.gz KMRZNUHQLLABFW-CHWSQXEVSA-N 1 0 234.387 3.599 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000823961084 585028500 /nfs/dbraw/zinc/02/85/00/585028500.db2.gz KMRZNUHQLLABFW-OLZOCXBDSA-N 1 0 234.387 3.599 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)c1ccncc1 ZINC000823961085 585028501 /nfs/dbraw/zinc/02/85/01/585028501.db2.gz KMRZNUHQLLABFW-QWHCGFSZSA-N 1 0 234.387 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000823961086 585028508 /nfs/dbraw/zinc/02/85/08/585028508.db2.gz KMRZNUHQLLABFW-STQMWFEESA-N 1 0 234.387 3.599 20 0 BHADRO Cc1cccc(C[NH2+]C23CCC(CC2)C3)c1F ZINC000824148209 587258321 /nfs/dbraw/zinc/25/83/21/587258321.db2.gz WLOACASDPSGRJQ-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000824403711 587269708 /nfs/dbraw/zinc/26/97/08/587269708.db2.gz ZHWCGJNIDRCBSX-IPYPFGDCSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000824403712 587269471 /nfs/dbraw/zinc/26/94/71/587269471.db2.gz ZHWCGJNIDRCBSX-NFAWXSAZSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000824403713 587269583 /nfs/dbraw/zinc/26/95/83/587269583.db2.gz ZHWCGJNIDRCBSX-UMVBOHGHSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000824403714 587269457 /nfs/dbraw/zinc/26/94/57/587269457.db2.gz ZHWCGJNIDRCBSX-VNHYZAJKSA-N 1 0 249.398 3.523 20 0 BHADRO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccoc1 ZINC000824469035 587271180 /nfs/dbraw/zinc/27/11/80/587271180.db2.gz VJBDONGCKODLSS-HNNXBMFYSA-N 1 0 245.297 3.586 20 0 BHADRO Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccoc1 ZINC000824469040 587271478 /nfs/dbraw/zinc/27/14/78/587271478.db2.gz VJBDONGCKODLSS-OAHLLOKOSA-N 1 0 245.297 3.586 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC(C)(F)F ZINC000824483518 587271310 /nfs/dbraw/zinc/27/13/10/587271310.db2.gz OJKFGFWUGCYBML-SECBINFHSA-N 1 0 239.375 3.542 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC(C)(F)F ZINC000824483519 587271446 /nfs/dbraw/zinc/27/14/46/587271446.db2.gz OJKFGFWUGCYBML-VIFPVBQESA-N 1 0 239.375 3.542 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](CC)C(F)F ZINC000824510304 587272775 /nfs/dbraw/zinc/27/27/75/587272775.db2.gz UTUBJWGZJCHXMV-NXEZZACHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](CC)C(F)F ZINC000824510306 587272696 /nfs/dbraw/zinc/27/26/96/587272696.db2.gz UTUBJWGZJCHXMV-UWVGGRQHSA-N 1 0 207.308 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](CC)C(F)F ZINC000824510308 587272892 /nfs/dbraw/zinc/27/28/92/587272892.db2.gz UTUBJWGZJCHXMV-VHSXEESVSA-N 1 0 207.308 3.589 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](CC)C(F)F ZINC000824510309 587272731 /nfs/dbraw/zinc/27/27/31/587272731.db2.gz UTUBJWGZJCHXMV-ZJUUUORDSA-N 1 0 207.308 3.589 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@H]1CCn2ccnc21 ZINC000824526635 587273653 /nfs/dbraw/zinc/27/36/53/587273653.db2.gz NYDXUVBZUGVTPI-KBPBESRZSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@H]1CCn2ccnc21 ZINC000824526637 587273868 /nfs/dbraw/zinc/27/38/68/587273868.db2.gz NYDXUVBZUGVTPI-KGLIPLIRSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@H](CC)CC[NH2+][C@@H]1CCn2ccnc21 ZINC000824526639 587273919 /nfs/dbraw/zinc/27/39/19/587273919.db2.gz NYDXUVBZUGVTPI-UONOGXRCSA-N 1 0 249.402 3.524 20 0 BHADRO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCn2ccnc21 ZINC000824526640 587273729 /nfs/dbraw/zinc/27/37/29/587273729.db2.gz NYDXUVBZUGVTPI-ZIAGYGMSSA-N 1 0 249.402 3.524 20 0 BHADRO c1ccc(-c2ccccc2C[NH+]2CC3(CC3)C2)cc1 ZINC000824533864 587274671 /nfs/dbraw/zinc/27/46/71/587274671.db2.gz RCAGSFLMPPPWQR-UHFFFAOYSA-N 1 0 249.357 3.949 20 0 BHADRO CC[N@H+](Cc1cc2ccncc2s1)C(C)C ZINC000824547779 587275343 /nfs/dbraw/zinc/27/53/43/587275343.db2.gz BUHGHZAKWWKPGK-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO CC[N@H+](Cc1cc2c(cccc2C)[nH]1)C(C)C ZINC000824548171 587275538 /nfs/dbraw/zinc/27/55/38/587275538.db2.gz IZDPVXOABLFVPB-UHFFFAOYSA-N 1 0 230.355 3.707 20 0 BHADRO CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)C(C)C ZINC000824548293 587275494 /nfs/dbraw/zinc/27/54/94/587275494.db2.gz LOHPTPIIGHYKQD-UHFFFAOYSA-N 1 0 230.355 3.707 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@@H]2C)ccc1F ZINC000824548702 587275319 /nfs/dbraw/zinc/27/53/19/587275319.db2.gz LZSZEBDVMQHMEK-DRCTWCGVSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H]2C)ccc1F ZINC000824548703 587275438 /nfs/dbraw/zinc/27/54/38/587275438.db2.gz LZSZEBDVMQHMEK-GLXFQSAKSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H]2C)ccc1F ZINC000824548704 587275422 /nfs/dbraw/zinc/27/54/22/587275422.db2.gz LZSZEBDVMQHMEK-PXWWUCIGSA-N 1 0 221.319 3.583 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H]2C)ccc1F ZINC000824548705 587275429 /nfs/dbraw/zinc/27/54/29/587275429.db2.gz LZSZEBDVMQHMEK-UDZFHETQSA-N 1 0 221.319 3.583 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000824591275 587278624 /nfs/dbraw/zinc/27/86/24/587278624.db2.gz TVZSPPGQEQRTNA-AWEZNQCLSA-N 1 0 248.414 3.918 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000824591279 587278595 /nfs/dbraw/zinc/27/85/95/587278595.db2.gz TVZSPPGQEQRTNA-CQSZACIVSA-N 1 0 248.414 3.918 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000824597033 587278495 /nfs/dbraw/zinc/27/84/95/587278495.db2.gz NXSNPEIHZBFXRY-IALDZJHCSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000824597041 587278397 /nfs/dbraw/zinc/27/83/97/587278397.db2.gz NXSNPEIHZBFXRY-OKZRHMCRSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000824597043 587278597 /nfs/dbraw/zinc/27/85/97/587278597.db2.gz NXSNPEIHZBFXRY-ZFDZMSFRSA-N 1 0 245.357 3.836 20 0 BHADRO CC[C@H]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000824597045 587278723 /nfs/dbraw/zinc/27/87/23/587278723.db2.gz NXSNPEIHZBFXRY-ZSVAQUKISA-N 1 0 245.357 3.836 20 0 BHADRO CCC1([NH2+]Cc2ccc3c(c2)COC3)CCCC1 ZINC000824650661 587280824 /nfs/dbraw/zinc/28/08/24/587280824.db2.gz ONMWQZKLVUPVFX-UHFFFAOYSA-N 1 0 245.366 3.529 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000824653725 587281402 /nfs/dbraw/zinc/28/14/02/587281402.db2.gz GLYTVTMVXJHMKI-BJDJZHNGSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000824653726 587281475 /nfs/dbraw/zinc/28/14/75/587281475.db2.gz GLYTVTMVXJHMKI-KXNHARMFSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000824653727 587281150 /nfs/dbraw/zinc/28/11/50/587281150.db2.gz GLYTVTMVXJHMKI-RHYQMDGZSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000824653728 587281178 /nfs/dbraw/zinc/28/11/78/587281178.db2.gz GLYTVTMVXJHMKI-YFKTTZPYSA-N 1 0 249.320 3.886 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000824653795 587281450 /nfs/dbraw/zinc/28/14/50/587281450.db2.gz IFQVOQADNNBURS-CABCVRRESA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000824653796 587281648 /nfs/dbraw/zinc/28/16/48/587281648.db2.gz IFQVOQADNNBURS-GJZGRUSLSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000824653797 587281507 /nfs/dbraw/zinc/28/15/07/587281507.db2.gz IFQVOQADNNBURS-HUUCEWRRSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000824653798 587281574 /nfs/dbraw/zinc/28/15/74/587281574.db2.gz IFQVOQADNNBURS-LSDHHAIUSA-N 1 0 237.387 3.580 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000824677205 587282439 /nfs/dbraw/zinc/28/24/39/587282439.db2.gz BKOCNSZFTGRIQP-UNXYVOJBSA-N 1 0 231.330 3.755 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000824677206 587282409 /nfs/dbraw/zinc/28/24/09/587282409.db2.gz BKOCNSZFTGRIQP-VOMCLLRMSA-N 1 0 231.330 3.755 20 0 BHADRO CCC[C@H]([NH2+]C1CC(C(F)F)C1)C(C)(C)C ZINC000824721277 587284345 /nfs/dbraw/zinc/28/43/45/587284345.db2.gz BVWIWJNDRLQRNO-ILDUYXDCSA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@@H]([NH2+]C1CC(C(F)F)C1)C(C)(C)C ZINC000824721278 587284398 /nfs/dbraw/zinc/28/43/98/587284398.db2.gz BVWIWJNDRLQRNO-VQXHTEKXSA-N 1 0 233.346 3.835 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccc(F)nc1)C(C)(C)C ZINC000824721672 587284370 /nfs/dbraw/zinc/28/43/70/587284370.db2.gz GYLUUNGJKCJLRG-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccc(F)nc1)C(C)(C)C ZINC000824721673 587284233 /nfs/dbraw/zinc/28/42/33/587284233.db2.gz GYLUUNGJKCJLRG-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)C(C)(C)C ZINC000824721957 587284363 /nfs/dbraw/zinc/28/43/63/587284363.db2.gz LHXVNEJDYYAFKL-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)C(C)(C)C ZINC000824721958 587284280 /nfs/dbraw/zinc/28/42/80/587284280.db2.gz LHXVNEJDYYAFKL-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)C(C)(C)C ZINC000824721959 587284344 /nfs/dbraw/zinc/28/43/44/587284344.db2.gz LHXVNEJDYYAFKL-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)C(C)(C)C ZINC000824721960 587284235 /nfs/dbraw/zinc/28/42/35/587284235.db2.gz LHXVNEJDYYAFKL-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1csc(C[NH2+]Cc2cc(C)oc2C)c1 ZINC000824751548 587285855 /nfs/dbraw/zinc/28/58/55/587285855.db2.gz ZFZKMNDKQKUKPH-UHFFFAOYSA-N 1 0 235.352 3.556 20 0 BHADRO C[C@]1(C[NH2+]C[C@@H]2CC=CCC2)CC1(Cl)Cl ZINC000824765717 587286306 /nfs/dbraw/zinc/28/63/06/587286306.db2.gz OWOAHKGXAUNNLU-GHMZBOCLSA-N 1 0 248.197 3.516 20 0 BHADRO C[C@@]1(C[NH2+]C[C@@H]2CC=CCC2)CC1(Cl)Cl ZINC000824765721 587286583 /nfs/dbraw/zinc/28/65/83/587286583.db2.gz OWOAHKGXAUNNLU-MNOVXSKESA-N 1 0 248.197 3.516 20 0 BHADRO C[C@@]1(C[NH2+]C[C@H]2CC=CCC2)CC1(Cl)Cl ZINC000824765722 587286470 /nfs/dbraw/zinc/28/64/70/587286470.db2.gz OWOAHKGXAUNNLU-QWRGUYRKSA-N 1 0 248.197 3.516 20 0 BHADRO C[C@]1(C[NH2+]C[C@H]2CC=CCC2)CC1(Cl)Cl ZINC000824765723 587286461 /nfs/dbraw/zinc/28/64/61/587286461.db2.gz OWOAHKGXAUNNLU-WDEREUQCSA-N 1 0 248.197 3.516 20 0 BHADRO CCC(CC)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824765800 587286515 /nfs/dbraw/zinc/28/65/15/587286515.db2.gz PJTBLBXFSGDQLQ-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CCC(CC)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824765803 587286415 /nfs/dbraw/zinc/28/64/15/587286415.db2.gz PJTBLBXFSGDQLQ-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824765859 587286614 /nfs/dbraw/zinc/28/66/14/587286614.db2.gz PXQABGARHGSEQE-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824765860 587286578 /nfs/dbraw/zinc/28/65/78/587286578.db2.gz PXQABGARHGSEQE-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824765861 587286658 /nfs/dbraw/zinc/28/66/58/587286658.db2.gz PXQABGARHGSEQE-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)C[C@@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824765862 587286646 /nfs/dbraw/zinc/28/66/46/587286646.db2.gz PXQABGARHGSEQE-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824766834 587286401 /nfs/dbraw/zinc/28/64/01/587286401.db2.gz YGCUBWUGIOZPPG-NXEZZACHSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824766836 587286342 /nfs/dbraw/zinc/28/63/42/587286342.db2.gz YGCUBWUGIOZPPG-UWVGGRQHSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@H](C)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824766838 587286379 /nfs/dbraw/zinc/28/63/79/587286379.db2.gz YGCUBWUGIOZPPG-VHSXEESVSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@@H](C)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824766839 587286601 /nfs/dbraw/zinc/28/66/01/587286601.db2.gz YGCUBWUGIOZPPG-ZJUUUORDSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824772249 587285213 /nfs/dbraw/zinc/28/52/13/587285213.db2.gz FSKFNUIAPFBQKN-AEJSXWLSSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824772250 587285109 /nfs/dbraw/zinc/28/51/09/587285109.db2.gz FSKFNUIAPFBQKN-GUBZILKMSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824772251 587285279 /nfs/dbraw/zinc/28/52/79/587285279.db2.gz FSKFNUIAPFBQKN-IVZWLZJFSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824772252 587285171 /nfs/dbraw/zinc/28/51/71/587285171.db2.gz FSKFNUIAPFBQKN-LPEHRKFASA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773068 587286943 /nfs/dbraw/zinc/28/69/43/587286943.db2.gz JEQFDBMLCDDRJF-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)(C)CC[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773071 587286821 /nfs/dbraw/zinc/28/68/21/587286821.db2.gz JEQFDBMLCDDRJF-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773175 587286873 /nfs/dbraw/zinc/28/68/73/587286873.db2.gz JVLXFZGTIARJJM-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773177 587284680 /nfs/dbraw/zinc/28/46/80/587284680.db2.gz JVLXFZGTIARJJM-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](CC)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773179 587284649 /nfs/dbraw/zinc/28/46/49/587284649.db2.gz JVLXFZGTIARJJM-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@@H](CC)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773180 587284683 /nfs/dbraw/zinc/28/46/83/587284683.db2.gz JVLXFZGTIARJJM-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000824773431 587286711 /nfs/dbraw/zinc/28/67/11/587286711.db2.gz LBEQMYRNUADZGP-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000824773432 587286975 /nfs/dbraw/zinc/28/69/75/587286975.db2.gz LBEQMYRNUADZGP-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000824773433 587286884 /nfs/dbraw/zinc/28/68/84/587286884.db2.gz LBEQMYRNUADZGP-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000824773434 587287019 /nfs/dbraw/zinc/28/70/19/587287019.db2.gz LBEQMYRNUADZGP-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)CCC[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824774797 587286863 /nfs/dbraw/zinc/28/68/63/587286863.db2.gz VKPUBRUKRSIPOL-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)CCC[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824774798 587286595 /nfs/dbraw/zinc/28/65/95/587286595.db2.gz VKPUBRUKRSIPOL-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824774829 587287026 /nfs/dbraw/zinc/28/70/26/587287026.db2.gz WERZOFVFKJETGF-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824774830 587286754 /nfs/dbraw/zinc/28/67/54/587286754.db2.gz WERZOFVFKJETGF-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824774831 587286412 /nfs/dbraw/zinc/28/64/12/587286412.db2.gz WERZOFVFKJETGF-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCCC[C@@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824774832 587286329 /nfs/dbraw/zinc/28/63/29/587286329.db2.gz WERZOFVFKJETGF-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824774984 587286920 /nfs/dbraw/zinc/28/69/20/587286920.db2.gz WSHIBPCSXNSNDZ-GHMZBOCLSA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824774985 587286925 /nfs/dbraw/zinc/28/69/25/587286925.db2.gz WSHIBPCSXNSNDZ-MNOVXSKESA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824774986 587286372 /nfs/dbraw/zinc/28/63/72/587286372.db2.gz WSHIBPCSXNSNDZ-QWRGUYRKSA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824774987 587286655 /nfs/dbraw/zinc/28/66/55/587286655.db2.gz WSHIBPCSXNSNDZ-WDEREUQCSA-N 1 0 248.197 3.659 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000824783625 587287454 /nfs/dbraw/zinc/28/74/54/587287454.db2.gz RVHAOWGWLVWDLB-TUAOUCFPSA-N 1 0 229.433 3.542 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CSC(C)(C)C ZINC000824783641 587287330 /nfs/dbraw/zinc/28/73/30/587287330.db2.gz RVHAOWGWLVWDLB-UTUOFQBUSA-N 1 0 229.433 3.542 20 0 BHADRO FC(F)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000824790652 587287671 /nfs/dbraw/zinc/28/76/71/587287671.db2.gz ZBRMMOPTUJUSIH-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C)C2CCC2)c(C)o1 ZINC000824878010 587291543 /nfs/dbraw/zinc/29/15/43/587291543.db2.gz GBEJJPHOKBAWAQ-UHFFFAOYSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(C)o1 ZINC000824940790 587294121 /nfs/dbraw/zinc/29/41/21/587294121.db2.gz CIYSCBVCYLBEHY-CVEARBPZSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(C)o1 ZINC000824940794 587294020 /nfs/dbraw/zinc/29/40/20/587294020.db2.gz CIYSCBVCYLBEHY-HOTGVXAUSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(C)o1 ZINC000824940796 587293994 /nfs/dbraw/zinc/29/39/94/587293994.db2.gz CIYSCBVCYLBEHY-HZPDHXFCSA-N 1 0 245.366 3.517 20 0 BHADRO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(C)o1 ZINC000824940797 587294197 /nfs/dbraw/zinc/29/41/97/587294197.db2.gz CIYSCBVCYLBEHY-JKSUJKDBSA-N 1 0 245.366 3.517 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824970733 585029169 /nfs/dbraw/zinc/02/91/69/585029169.db2.gz NDUVORJVMUYDCQ-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824970737 585029014 /nfs/dbraw/zinc/02/90/14/585029014.db2.gz NDUVORJVMUYDCQ-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@H](C)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824970744 585029132 /nfs/dbraw/zinc/02/91/32/585029132.db2.gz NDUVORJVMUYDCQ-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824970746 585028990 /nfs/dbraw/zinc/02/89/90/585028990.db2.gz NDUVORJVMUYDCQ-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971230 587295837 /nfs/dbraw/zinc/29/58/37/587295837.db2.gz PVDVNPOBTBSOST-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971231 587295743 /nfs/dbraw/zinc/29/57/43/587295743.db2.gz PVDVNPOBTBSOST-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971232 587295757 /nfs/dbraw/zinc/29/57/57/587295757.db2.gz PVDVNPOBTBSOST-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971234 587295962 /nfs/dbraw/zinc/29/59/62/587295962.db2.gz PVDVNPOBTBSOST-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971631 587296133 /nfs/dbraw/zinc/29/61/33/587296133.db2.gz VTBFGRGFVVPFSU-NXEZZACHSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971632 587295911 /nfs/dbraw/zinc/29/59/11/587295911.db2.gz VTBFGRGFVVPFSU-UWVGGRQHSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@H](C)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971633 587296100 /nfs/dbraw/zinc/29/61/00/587296100.db2.gz VTBFGRGFVVPFSU-VHSXEESVSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@@H](C)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971634 587295906 /nfs/dbraw/zinc/29/59/06/587295906.db2.gz VTBFGRGFVVPFSU-ZJUUUORDSA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)(C)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971810 587295410 /nfs/dbraw/zinc/29/54/10/587295410.db2.gz ZFVRDJLPDMXJLJ-JTQLQIEISA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)(C)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971811 587295619 /nfs/dbraw/zinc/29/56/19/587295619.db2.gz ZFVRDJLPDMXJLJ-SNVBAGLBSA-N 1 0 238.202 3.596 20 0 BHADRO CCC(CC)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971830 587296053 /nfs/dbraw/zinc/29/60/53/587296053.db2.gz ZNVNURFOLJGAKK-JTQLQIEISA-N 1 0 238.202 3.739 20 0 BHADRO CCC(CC)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971831 587296125 /nfs/dbraw/zinc/29/61/25/587296125.db2.gz ZNVNURFOLJGAKK-SNVBAGLBSA-N 1 0 238.202 3.739 20 0 BHADRO Cc1csc(C[NH+]2CCCCCCCC2)n1 ZINC000824982135 587296991 /nfs/dbraw/zinc/29/69/91/587296991.db2.gz AAIZWMMRXXGGRK-UHFFFAOYSA-N 1 0 238.400 3.608 20 0 BHADRO Cc1ccc(C[NH+]2CCCCCCCC2)cn1 ZINC000824982251 587296804 /nfs/dbraw/zinc/29/68/04/587296804.db2.gz DCKLGTPTTQUFQL-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO Cc1nc(C[NH+]2CCCCCCCC2)cs1 ZINC000824982449 587296954 /nfs/dbraw/zinc/29/69/54/587296954.db2.gz GHIABMDDJGSXMM-UHFFFAOYSA-N 1 0 238.400 3.608 20 0 BHADRO CC(C)n1nccc1C[NH+]1CCCCCCCC1 ZINC000824982558 587296911 /nfs/dbraw/zinc/29/69/11/587296911.db2.gz HNRKTIGVTNXADE-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO Cc1ccc(C[NH+]2CCCCCCCC2)nc1 ZINC000824982590 587296827 /nfs/dbraw/zinc/29/68/27/587296827.db2.gz ICPGUVYTARMLPO-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO Cc1cnccc1C[NH+]1CCCCCCCC1 ZINC000824982744 587296942 /nfs/dbraw/zinc/29/69/42/587296942.db2.gz KEAXMLUPKWZWCB-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO Cc1ncccc1C[NH+]1CCCCCCCC1 ZINC000824982771 587296903 /nfs/dbraw/zinc/29/69/03/587296903.db2.gz KPMWYGCBNQNXHU-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO Cc1ncsc1C[NH+]1CCCCCCCC1 ZINC000824982887 587296653 /nfs/dbraw/zinc/29/66/53/587296653.db2.gz MQJPVIZIBPGPBI-UHFFFAOYSA-N 1 0 238.400 3.608 20 0 BHADRO Cc1ncc(C[NH+]2CCCCCCCC2)s1 ZINC000824983030 587296654 /nfs/dbraw/zinc/29/66/54/587296654.db2.gz OROCJBUCDMAZCF-UHFFFAOYSA-N 1 0 238.400 3.608 20 0 BHADRO Cc1ccncc1C[NH+]1CCCCCCCC1 ZINC000824983115 587297016 /nfs/dbraw/zinc/29/70/16/587297016.db2.gz QQEIXLKYGCRTKL-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO CC(C)n1cc(C[NH+]2CCCCCCCC2)cn1 ZINC000824983325 587297151 /nfs/dbraw/zinc/29/71/51/587297151.db2.gz ULZQGANDSJFRAM-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO Cc1cccnc1C[NH+]1CCCCCCCC1 ZINC000824983379 587297097 /nfs/dbraw/zinc/29/70/97/587297097.db2.gz VEYFAHIYSDYVNF-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO Cc1cnc(C[NH+]2CCCCCCCC2)s1 ZINC000824983392 587297247 /nfs/dbraw/zinc/29/72/47/587297247.db2.gz VNIVTSUXHCCUFT-UHFFFAOYSA-N 1 0 238.400 3.608 20 0 BHADRO c1oc(C2CC2)nc1C[NH+]1CCCCCCCC1 ZINC000824983433 587297376 /nfs/dbraw/zinc/29/73/76/587297376.db2.gz WHYXXXVIUNDSJG-UHFFFAOYSA-N 1 0 248.370 3.708 20 0 BHADRO Clc1ccc(C2C[NH+](Cc3ccoc3)C2)cc1 ZINC000824988722 587297275 /nfs/dbraw/zinc/29/72/75/587297275.db2.gz RLUNKNJYCGUWRT-UHFFFAOYSA-N 1 0 247.725 3.532 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000825005393 587297948 /nfs/dbraw/zinc/29/79/48/587297948.db2.gz JJAKZXDPVLIMOG-CHWSQXEVSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000825005394 587298159 /nfs/dbraw/zinc/29/81/59/587298159.db2.gz JJAKZXDPVLIMOG-OLZOCXBDSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000825005395 587297955 /nfs/dbraw/zinc/29/79/55/587297955.db2.gz JJAKZXDPVLIMOG-QWHCGFSZSA-N 1 0 237.391 3.522 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000825005396 587297958 /nfs/dbraw/zinc/29/79/58/587297958.db2.gz JJAKZXDPVLIMOG-STQMWFEESA-N 1 0 237.391 3.522 20 0 BHADRO CCn1ccnc1[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000825006197 587298241 /nfs/dbraw/zinc/29/82/41/587298241.db2.gz ZQQRJKOJXDUGOP-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCn1ccnc1[C@H](C)[NH2+]C1CCCCCCC1 ZINC000825006198 587298215 /nfs/dbraw/zinc/29/82/15/587298215.db2.gz ZQQRJKOJXDUGOP-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825056991 587301170 /nfs/dbraw/zinc/30/11/70/587301170.db2.gz JXPTZIORFQXJOW-GFCCVEGCSA-N 1 0 238.375 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825056992 587301203 /nfs/dbraw/zinc/30/12/03/587301203.db2.gz JXPTZIORFQXJOW-LBPRGKRZSA-N 1 0 238.375 3.686 20 0 BHADRO CCc1nc(C[NH2+][C@H](C)CCCC(C)C)co1 ZINC000825057004 587301330 /nfs/dbraw/zinc/30/13/30/587301330.db2.gz KMGXWQVIZZAHJY-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@@H](C)CCCC(C)C)co1 ZINC000825057005 587301072 /nfs/dbraw/zinc/30/10/72/587301072.db2.gz KMGXWQVIZZAHJY-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@@H](CC)C[C@H](C)CC)co1 ZINC000825057796 587301233 /nfs/dbraw/zinc/30/12/33/587301233.db2.gz PTXZTEIYFHZQNO-NEPJUHHUSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@H](CC)C[C@@H](C)CC)co1 ZINC000825057797 587301106 /nfs/dbraw/zinc/30/11/06/587301106.db2.gz PTXZTEIYFHZQNO-NWDGAFQWSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@@H](CC)C[C@@H](C)CC)co1 ZINC000825057798 587301142 /nfs/dbraw/zinc/30/11/42/587301142.db2.gz PTXZTEIYFHZQNO-RYUDHWBXSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@H](CC)C[C@H](C)CC)co1 ZINC000825057799 587298531 /nfs/dbraw/zinc/29/85/31/587298531.db2.gz PTXZTEIYFHZQNO-VXGBXAGGSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+]CC(CC)(CC)CC)co1 ZINC000825058323 587301004 /nfs/dbraw/zinc/30/10/04/587301004.db2.gz VWWRYVAAYCJYQB-UHFFFAOYSA-N 1 0 238.375 3.543 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825062225 587301406 /nfs/dbraw/zinc/30/14/06/587301406.db2.gz QLYKSNNAPMVRDD-NEPJUHHUSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825062226 587302010 /nfs/dbraw/zinc/30/20/10/587302010.db2.gz QLYKSNNAPMVRDD-NWDGAFQWSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825062228 587301694 /nfs/dbraw/zinc/30/16/94/587301694.db2.gz QLYKSNNAPMVRDD-RYUDHWBXSA-N 1 0 238.375 3.541 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825062229 587302014 /nfs/dbraw/zinc/30/20/14/587302014.db2.gz QLYKSNNAPMVRDD-VXGBXAGGSA-N 1 0 238.375 3.541 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000825078789 587302844 /nfs/dbraw/zinc/30/28/44/587302844.db2.gz DPMJHPFMZYBDGJ-GFCCVEGCSA-N 1 0 238.375 3.686 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000825078790 587302774 /nfs/dbraw/zinc/30/27/74/587302774.db2.gz DPMJHPFMZYBDGJ-LBPRGKRZSA-N 1 0 238.375 3.686 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000825086568 587303110 /nfs/dbraw/zinc/30/31/10/587303110.db2.gz UALSGYOIUCZDMN-GFCCVEGCSA-N 1 0 238.375 3.686 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000825086570 587303199 /nfs/dbraw/zinc/30/31/99/587303199.db2.gz UALSGYOIUCZDMN-LBPRGKRZSA-N 1 0 238.375 3.686 20 0 BHADRO CC[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCCC1 ZINC000825124748 587305471 /nfs/dbraw/zinc/30/54/71/587305471.db2.gz XFSWCQHWRXYWBW-HTAVTVPLSA-N 1 0 231.330 3.589 20 0 BHADRO CC[C@H]([NH2+]C1CC(C(F)F)C1)C1CCCC1 ZINC000825124749 587305342 /nfs/dbraw/zinc/30/53/42/587305342.db2.gz XFSWCQHWRXYWBW-MCIGGMRASA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000825168293 587307164 /nfs/dbraw/zinc/30/71/64/587307164.db2.gz XRADWBBEYHLAEO-OYNZBZHQSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000825168294 587307336 /nfs/dbraw/zinc/30/73/36/587307336.db2.gz XRADWBBEYHLAEO-RUAUBTSSSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000825168295 587307362 /nfs/dbraw/zinc/30/73/62/587307362.db2.gz XRADWBBEYHLAEO-XABYNWHXSA-N 1 0 247.357 3.707 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1 ZINC000825168296 587307558 /nfs/dbraw/zinc/30/75/58/587307558.db2.gz XRADWBBEYHLAEO-YOENINGUSA-N 1 0 247.357 3.707 20 0 BHADRO c1nc(C2CC2)oc1C[NH2+]C1CCCCCCC1 ZINC000825171986 587307742 /nfs/dbraw/zinc/30/77/42/587307742.db2.gz CXJGJKNNEZGRCO-UHFFFAOYSA-N 1 0 248.370 3.755 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000825175886 587308010 /nfs/dbraw/zinc/30/80/10/587308010.db2.gz PITUAGSOSXFNMH-LLVKDONJSA-N 1 0 236.359 3.610 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000825175887 587307815 /nfs/dbraw/zinc/30/78/15/587307815.db2.gz PITUAGSOSXFNMH-NSHDSACASA-N 1 0 236.359 3.610 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000825208337 587309134 /nfs/dbraw/zinc/30/91/34/587309134.db2.gz VPMBNIYXICGNKT-NWDGAFQWSA-N 1 0 248.370 3.563 20 0 BHADRO CC1(C)CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000825256501 587311232 /nfs/dbraw/zinc/31/12/32/587311232.db2.gz ADMSWYHUQDFNNL-UNXYVOJBSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C)CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000825256503 587311156 /nfs/dbraw/zinc/31/11/56/587311156.db2.gz ADMSWYHUQDFNNL-VOMCLLRMSA-N 1 0 245.357 3.836 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000825290279 587313198 /nfs/dbraw/zinc/31/31/98/587313198.db2.gz SMGBBDRNHFTYQS-MGPQQGTHSA-N 1 0 227.392 3.502 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000825312858 587314311 /nfs/dbraw/zinc/31/43/11/587314311.db2.gz YPLQDQNHWGDDRV-HXFVIYLFSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCC[C@H](C)C1 ZINC000825312860 587314185 /nfs/dbraw/zinc/31/41/85/587314185.db2.gz YPLQDQNHWGDDRV-JGGZEWDASA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCC[C@H](C)C1 ZINC000825312864 587314429 /nfs/dbraw/zinc/31/44/29/587314429.db2.gz YPLQDQNHWGDDRV-QGIMUDHVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCC[C@@H](C)C1 ZINC000825312868 587314107 /nfs/dbraw/zinc/31/41/07/587314107.db2.gz YPLQDQNHWGDDRV-SJGRQUNQSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)[N@H+](C[C@@H]1CCC=CO1)C1CC(C)(C)C1 ZINC000825332153 587315554 /nfs/dbraw/zinc/31/55/54/587315554.db2.gz SKUYANIJNXULSE-AWEZNQCLSA-N 1 0 237.387 3.578 20 0 BHADRO CC(C)[N@H+](C[C@H]1CCC=CO1)C1CC(C)(C)C1 ZINC000825332155 587315525 /nfs/dbraw/zinc/31/55/25/587315525.db2.gz SKUYANIJNXULSE-CQSZACIVSA-N 1 0 237.387 3.578 20 0 BHADRO CC(C)[C@@H]1[N@H+](C[C@H]2CCC=CO2)CC12CCCC2 ZINC000825338400 587316054 /nfs/dbraw/zinc/31/60/54/587316054.db2.gz QGORHHKILCNUPS-CABCVRRESA-N 1 0 249.398 3.580 20 0 BHADRO CC(C)[C@@H]1[N@H+](C[C@@H]2CCC=CO2)CC12CCCC2 ZINC000825338401 587315818 /nfs/dbraw/zinc/31/58/18/587315818.db2.gz QGORHHKILCNUPS-GJZGRUSLSA-N 1 0 249.398 3.580 20 0 BHADRO CC(C)[C@H]1[N@H+](C[C@H]2CCC=CO2)CC12CCCC2 ZINC000825338402 587315995 /nfs/dbraw/zinc/31/59/95/587315995.db2.gz QGORHHKILCNUPS-HUUCEWRRSA-N 1 0 249.398 3.580 20 0 BHADRO CC(C)[C@H]1[N@H+](C[C@@H]2CCC=CO2)CC12CCCC2 ZINC000825338403 587315859 /nfs/dbraw/zinc/31/58/59/587315859.db2.gz QGORHHKILCNUPS-LSDHHAIUSA-N 1 0 249.398 3.580 20 0 BHADRO CN(CCF)Cc1ccc(-c2cccs2)cc1 ZINC000826013494 587348401 /nfs/dbraw/zinc/34/84/01/587348401.db2.gz VQSNVUKZXRRSID-UHFFFAOYSA-N 1 0 249.354 3.816 20 0 BHADRO CCc1cccc2cc(C[NH+]3CC4(CC4)C3)oc21 ZINC000826030174 587349107 /nfs/dbraw/zinc/34/91/07/587349107.db2.gz RCZBQRVQFQVFMJ-UHFFFAOYSA-N 1 0 241.334 3.591 20 0 BHADRO Clc1csc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826539488 587354278 /nfs/dbraw/zinc/35/42/78/587354278.db2.gz UZGWQLFUSBNDLD-CABZTGNLSA-N 1 0 241.787 3.776 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCCc1cnccc1C ZINC000826911337 587365015 /nfs/dbraw/zinc/36/50/15/587365015.db2.gz WYCBHCZTGDCIEI-AWEZNQCLSA-N 1 0 248.414 3.737 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000826911338 587365171 /nfs/dbraw/zinc/36/51/71/587365171.db2.gz WYCBHCZTGDCIEI-CQSZACIVSA-N 1 0 248.414 3.737 20 0 BHADRO C[C@H]1CC(C[NH2+]C2CC(C(F)F)C2)C[C@H](C)C1 ZINC000826926850 587365988 /nfs/dbraw/zinc/36/59/88/587365988.db2.gz OVFIBKCRZFDMAP-ITSCGTHASA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]1C[C@H](C[NH2+]C2CC(C(F)F)C2)C[C@@H](C)C1 ZINC000826926851 587365871 /nfs/dbraw/zinc/36/58/71/587365871.db2.gz OVFIBKCRZFDMAP-JSEMBRAVSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]1CC(C[NH2+]C2CC(C(F)F)C2)C[C@@H](C)C1 ZINC000826926852 587365847 /nfs/dbraw/zinc/36/58/47/587365847.db2.gz OVFIBKCRZFDMAP-WPMGSTCASA-N 1 0 245.357 3.692 20 0 BHADRO Fc1cc(F)cc(C2CC([NH2+][C@H]3C=CCC3)C2)c1 ZINC000826943074 712592855 /nfs/dbraw/zinc/59/28/55/712592855.db2.gz UQPHSLXISGVTAJ-WPBUFGDCSA-N 1 0 249.304 3.519 20 0 BHADRO Fc1cc(F)cc(C2CC([NH2+][C@@H]3C=CCC3)C2)c1 ZINC000826943078 712592909 /nfs/dbraw/zinc/59/29/09/712592909.db2.gz UQPHSLXISGVTAJ-XGTXGMFGSA-N 1 0 249.304 3.519 20 0 BHADRO C1=C[C@H]([NH2+]CCCCCOc2ccccc2)CC1 ZINC000826943216 712592912 /nfs/dbraw/zinc/59/29/12/712592912.db2.gz VYQWLUOAUREQEP-HNNXBMFYSA-N 1 0 245.366 3.544 20 0 BHADRO C1=C[C@@H]([NH2+]CCCCCOc2ccccc2)CC1 ZINC000826943218 712592881 /nfs/dbraw/zinc/59/28/81/712592881.db2.gz VYQWLUOAUREQEP-OAHLLOKOSA-N 1 0 245.366 3.544 20 0 BHADRO CC(=O)c1cccc(C[NH+]2CCCCCCC2)c1 ZINC000827294714 587375800 /nfs/dbraw/zinc/37/58/00/587375800.db2.gz NPCMDBXCSKHOPK-UHFFFAOYSA-N 1 0 245.366 3.655 20 0 BHADRO CCCC[N@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC000827303232 587375896 /nfs/dbraw/zinc/37/58/96/587375896.db2.gz DFHVTYLPTTVVJF-JTQLQIEISA-N 1 0 238.202 3.692 20 0 BHADRO CCCC[N@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827303233 587376142 /nfs/dbraw/zinc/37/61/42/587376142.db2.gz DFHVTYLPTTVVJF-SNVBAGLBSA-N 1 0 238.202 3.692 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827350777 587377884 /nfs/dbraw/zinc/37/78/84/587377884.db2.gz VHSTWSNTJZFQAZ-NXEZZACHSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827350778 587377852 /nfs/dbraw/zinc/37/78/52/587377852.db2.gz VHSTWSNTJZFQAZ-UWVGGRQHSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@H](C)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827350779 587377921 /nfs/dbraw/zinc/37/79/21/587377921.db2.gz VHSTWSNTJZFQAZ-VHSXEESVSA-N 1 0 238.202 3.547 20 0 BHADRO CC(C)[C@@H](C)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827350780 587377245 /nfs/dbraw/zinc/37/72/45/587377245.db2.gz VHSTWSNTJZFQAZ-ZJUUUORDSA-N 1 0 238.202 3.547 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827400051 587380061 /nfs/dbraw/zinc/38/00/61/587380061.db2.gz AGPLUYUOBOSJGV-NXEZZACHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827400052 587379929 /nfs/dbraw/zinc/37/99/29/587379929.db2.gz AGPLUYUOBOSJGV-UWVGGRQHSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@H](C)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827400053 587379824 /nfs/dbraw/zinc/37/98/24/587379824.db2.gz AGPLUYUOBOSJGV-VHSXEESVSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[C@@H](C)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827400054 587379984 /nfs/dbraw/zinc/37/99/84/587379984.db2.gz AGPLUYUOBOSJGV-ZJUUUORDSA-N 1 0 238.202 3.691 20 0 BHADRO Cc1noc(C)c1C[N@H+](C)CCC1=CCCCC1 ZINC000827400340 587380028 /nfs/dbraw/zinc/38/00/28/587380028.db2.gz HLLMLKCPVBNGST-UHFFFAOYSA-N 1 0 248.370 3.614 20 0 BHADRO CC[N@H+](CC(C)C)C[C@]1(C)CC1(Cl)Cl ZINC000827400498 587379970 /nfs/dbraw/zinc/37/99/70/587379970.db2.gz NMNSYVHLYZQCLV-JTQLQIEISA-N 1 0 238.202 3.548 20 0 BHADRO CC[N@H+](CC(C)C)C[C@@]1(C)CC1(Cl)Cl ZINC000827400499 587379818 /nfs/dbraw/zinc/37/98/18/587379818.db2.gz NMNSYVHLYZQCLV-SNVBAGLBSA-N 1 0 238.202 3.548 20 0 BHADRO CCC[NH+](CCC)C[C@]1(C)CC1(Cl)Cl ZINC000827411035 587380138 /nfs/dbraw/zinc/38/01/38/587380138.db2.gz GBIIBVQAEBQKRC-JTQLQIEISA-N 1 0 238.202 3.692 20 0 BHADRO CCC[NH+](CCC)C[C@@]1(C)CC1(Cl)Cl ZINC000827411036 587380118 /nfs/dbraw/zinc/38/01/18/587380118.db2.gz GBIIBVQAEBQKRC-SNVBAGLBSA-N 1 0 238.202 3.692 20 0 BHADRO FC1(F)CC(C[N@H+](C2CC2)C2CCCCC2)C1 ZINC000827415245 587380435 /nfs/dbraw/zinc/38/04/35/587380435.db2.gz CLUHSNZDBJAYBV-UHFFFAOYSA-N 1 0 243.341 3.829 20 0 BHADRO CC(C)CC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827441886 587381121 /nfs/dbraw/zinc/38/11/21/587381121.db2.gz FSBNOGFJTYOSRY-JTQLQIEISA-N 1 0 238.202 3.548 20 0 BHADRO CC(C)CC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827441887 587381406 /nfs/dbraw/zinc/38/14/06/587381406.db2.gz FSBNOGFJTYOSRY-SNVBAGLBSA-N 1 0 238.202 3.548 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCC(F)CC1 ZINC000827537801 645081590 /nfs/dbraw/zinc/08/15/90/645081590.db2.gz HYYBWHQIVYELFY-AAWJQDODSA-N 1 0 249.320 3.537 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)C1CCC(F)CC1 ZINC000827537802 645081829 /nfs/dbraw/zinc/08/18/29/645081829.db2.gz HYYBWHQIVYELFY-JKJWBTBISA-N 1 0 249.320 3.537 20 0 BHADRO CC(C)CC(=O)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000827713478 587398380 /nfs/dbraw/zinc/39/83/80/587398380.db2.gz ZIABYVKAVPIXTB-AWEZNQCLSA-N 1 0 247.382 3.685 20 0 BHADRO CC(C)CC(=O)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC000827713479 587398581 /nfs/dbraw/zinc/39/85/81/587398581.db2.gz ZIABYVKAVPIXTB-CQSZACIVSA-N 1 0 247.382 3.685 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827794376 587402396 /nfs/dbraw/zinc/40/23/96/587402396.db2.gz MCICSTKUDWYDBW-NXEZZACHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827794378 587402445 /nfs/dbraw/zinc/40/24/45/587402445.db2.gz MCICSTKUDWYDBW-UWVGGRQHSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@H](C)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827794380 587402319 /nfs/dbraw/zinc/40/23/19/587402319.db2.gz MCICSTKUDWYDBW-VHSXEESVSA-N 1 0 238.202 3.548 20 0 BHADRO CC[C@@H](C)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827794381 587402759 /nfs/dbraw/zinc/40/27/59/587402759.db2.gz MCICSTKUDWYDBW-ZJUUUORDSA-N 1 0 238.202 3.548 20 0 BHADRO FC1(F)CC[C@@H](C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000827938772 587411113 /nfs/dbraw/zinc/41/11/13/587411113.db2.gz RZRCILITNMQEAR-GFCCVEGCSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)CC[C@H](C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000827938773 587411419 /nfs/dbraw/zinc/41/14/19/587411419.db2.gz RZRCILITNMQEAR-LBPRGKRZSA-N 1 0 243.341 3.688 20 0 BHADRO CC(C)CC(=O)CC[N@H+](C(C)C)C1CCCC1 ZINC000828059092 587418110 /nfs/dbraw/zinc/41/81/10/587418110.db2.gz BHNLRMLUHCMBNH-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO Fc1ccccc1C1([NH2+]CC2=CCCC2)CC1 ZINC000828160293 587422370 /nfs/dbraw/zinc/42/23/70/587422370.db2.gz WOCHFCONMKHKDQ-UHFFFAOYSA-N 1 0 231.314 3.515 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000828300584 587433076 /nfs/dbraw/zinc/43/30/76/587433076.db2.gz NTHZPMYDCDEGRV-PSASIEDQSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000828300643 587433021 /nfs/dbraw/zinc/43/30/21/587433021.db2.gz NTHZPMYDCDEGRV-SCZZXKLOSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000828300644 587432972 /nfs/dbraw/zinc/43/29/72/587432972.db2.gz NTHZPMYDCDEGRV-WCBMZHEXSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000828300645 587432954 /nfs/dbraw/zinc/43/29/54/587432954.db2.gz NTHZPMYDCDEGRV-WPRPVWTQSA-N 1 0 238.202 3.595 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828307261 587433606 /nfs/dbraw/zinc/43/36/06/587433606.db2.gz WWVMDEMWNYJZTQ-JTQLQIEISA-N 1 0 238.202 3.691 20 0 BHADRO CCC(C)(C)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828307262 587433591 /nfs/dbraw/zinc/43/35/91/587433591.db2.gz WWVMDEMWNYJZTQ-SNVBAGLBSA-N 1 0 238.202 3.691 20 0 BHADRO FC(F)(F)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000828529325 587448075 /nfs/dbraw/zinc/44/80/75/587448075.db2.gz LVOMZBBTYFYRJY-GFCCVEGCSA-N 1 0 247.304 3.761 20 0 BHADRO FC(F)(F)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000828529326 587446860 /nfs/dbraw/zinc/44/68/60/587446860.db2.gz LVOMZBBTYFYRJY-LBPRGKRZSA-N 1 0 247.304 3.761 20 0 BHADRO CC(C)[NH+](C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000828610449 587453638 /nfs/dbraw/zinc/45/36/38/587453638.db2.gz DFNHLMHFJXSQDQ-JTQLQIEISA-N 1 0 238.202 3.689 20 0 BHADRO CC(C)[NH+](C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000828610450 587453513 /nfs/dbraw/zinc/45/35/13/587453513.db2.gz DFNHLMHFJXSQDQ-SNVBAGLBSA-N 1 0 238.202 3.689 20 0 BHADRO CC(C)[C@H]([NH2+]CC1=CCCCC1)c1ccccn1 ZINC000828693976 587457529 /nfs/dbraw/zinc/45/75/29/587457529.db2.gz YJLYCLRIBZTGMP-INIZCTEOSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1=CCCCC1)c1ccccn1 ZINC000828693978 587457542 /nfs/dbraw/zinc/45/75/42/587457542.db2.gz YJLYCLRIBZTGMP-MRXNPFEDSA-N 1 0 244.382 3.869 20 0 BHADRO CC(C)C([NH2+]Cc1csc(Cl)n1)C(C)C ZINC000828721558 587458657 /nfs/dbraw/zinc/45/86/57/587458657.db2.gz CWEUPPWSKMGQMG-UHFFFAOYSA-N 1 0 246.807 3.567 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812068 587463432 /nfs/dbraw/zinc/46/34/32/587463432.db2.gz PTTNJXMURAPBLN-PSASIEDQSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812070 587462408 /nfs/dbraw/zinc/46/24/08/587462408.db2.gz PTTNJXMURAPBLN-SCZZXKLOSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812094 587462362 /nfs/dbraw/zinc/46/23/62/587462362.db2.gz PTTNJXMURAPBLN-WCBMZHEXSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812095 587462456 /nfs/dbraw/zinc/46/24/56/587462456.db2.gz PTTNJXMURAPBLN-WPRPVWTQSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846859 587466679 /nfs/dbraw/zinc/46/66/79/587466679.db2.gz WMBUCPVUTQBFER-PSASIEDQSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846860 587466374 /nfs/dbraw/zinc/46/63/74/587466374.db2.gz WMBUCPVUTQBFER-SCZZXKLOSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846861 587466620 /nfs/dbraw/zinc/46/66/20/587466620.db2.gz WMBUCPVUTQBFER-WCBMZHEXSA-N 1 0 248.153 3.514 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846862 587466594 /nfs/dbraw/zinc/46/65/94/587466594.db2.gz WMBUCPVUTQBFER-WPRPVWTQSA-N 1 0 248.153 3.514 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829016938 587479989 /nfs/dbraw/zinc/47/99/89/587479989.db2.gz OAANVCRIXKEZLC-YHQIDKOESA-N 1 0 234.170 3.570 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000829029682 587480389 /nfs/dbraw/zinc/48/03/89/587480389.db2.gz YGIKYCLJNZDMCV-STQMWFEESA-N 1 0 248.370 3.563 20 0 BHADRO C[C@@]1(C[N@@H+]2CCCC23CCC3)CC1(Cl)Cl ZINC000829282974 587491083 /nfs/dbraw/zinc/49/10/83/587491083.db2.gz GPXZUSVADYMEDY-JTQLQIEISA-N 1 0 248.197 3.589 20 0 BHADRO C[C@]1(C[N@@H+]2CCCC23CCC3)CC1(Cl)Cl ZINC000829282975 587491278 /nfs/dbraw/zinc/49/12/78/587491278.db2.gz GPXZUSVADYMEDY-SNVBAGLBSA-N 1 0 248.197 3.589 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)CC(C)(C)C)CC(F)F ZINC000829307315 582855103 /nfs/dbraw/zinc/85/51/03/582855103.db2.gz STDPZVUIOGNWOC-NXEZZACHSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)CC(F)F ZINC000829307319 582855505 /nfs/dbraw/zinc/85/55/05/582855505.db2.gz STDPZVUIOGNWOC-UWVGGRQHSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)CC(F)F ZINC000829307320 582855565 /nfs/dbraw/zinc/85/55/65/582855565.db2.gz STDPZVUIOGNWOC-VHSXEESVSA-N 1 0 221.335 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)CC(F)F ZINC000829307321 582854942 /nfs/dbraw/zinc/85/49/42/582854942.db2.gz STDPZVUIOGNWOC-ZJUUUORDSA-N 1 0 221.335 3.692 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1F ZINC000829347550 582856588 /nfs/dbraw/zinc/85/65/88/582856588.db2.gz LCLGOFNQAZYERA-BXUZGUMPSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1F ZINC000829347553 582856415 /nfs/dbraw/zinc/85/64/15/582856415.db2.gz LCLGOFNQAZYERA-FZMZJTMJSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1F ZINC000829347556 582856396 /nfs/dbraw/zinc/85/63/96/582856396.db2.gz LCLGOFNQAZYERA-RISCZKNCSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1F ZINC000829347559 582856566 /nfs/dbraw/zinc/85/65/66/582856566.db2.gz LCLGOFNQAZYERA-SMDDNHRTSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1cccc(F)c1 ZINC000829348593 582856236 /nfs/dbraw/zinc/85/62/36/582856236.db2.gz VEJGMENSOLZDNH-KBPBESRZSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(F)c1 ZINC000829348595 582856456 /nfs/dbraw/zinc/85/64/56/582856456.db2.gz VEJGMENSOLZDNH-KGLIPLIRSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(F)c1 ZINC000829348598 582856427 /nfs/dbraw/zinc/85/64/27/582856427.db2.gz VEJGMENSOLZDNH-UONOGXRCSA-N 1 0 219.303 3.585 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(F)c1 ZINC000829348608 582856927 /nfs/dbraw/zinc/85/69/27/582856927.db2.gz VEJGMENSOLZDNH-ZIAGYGMSSA-N 1 0 219.303 3.585 20 0 BHADRO CC1=C(C)C[N@H+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000829390486 587495276 /nfs/dbraw/zinc/49/52/76/587495276.db2.gz LIKZCICWHCVDBK-LLVKDONJSA-N 1 0 248.197 3.612 20 0 BHADRO CC1=C(C)C[N@H+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000829390487 587495289 /nfs/dbraw/zinc/49/52/89/587495289.db2.gz LIKZCICWHCVDBK-NSHDSACASA-N 1 0 248.197 3.612 20 0 BHADRO Fc1cccc(C2([NH2+]C/C=C\Cl)CCC2)c1 ZINC000829714839 587511161 /nfs/dbraw/zinc/51/11/61/587511161.db2.gz DIOFJMVAXFKRCT-BAQGIRSFSA-N 1 0 239.721 3.547 20 0 BHADRO Fc1cccc(C2([NH2+]C/C=C/Cl)CCC2)c1 ZINC000829714840 587511402 /nfs/dbraw/zinc/51/14/02/587511402.db2.gz DIOFJMVAXFKRCT-FPYGCLRLSA-N 1 0 239.721 3.547 20 0 BHADRO Fc1ccccc1C1([NH2+]C/C=C/Cl)CCC1 ZINC000829899874 587527631 /nfs/dbraw/zinc/52/76/31/587527631.db2.gz DSXBTCJMDILQGO-RUDMXATFSA-N 1 0 239.721 3.547 20 0 BHADRO Fc1ccccc1C1([NH2+]C/C=C\Cl)CCC1 ZINC000829899876 587527754 /nfs/dbraw/zinc/52/77/54/587527754.db2.gz DSXBTCJMDILQGO-WTKPLQERSA-N 1 0 239.721 3.547 20 0 BHADRO C[N@H+](CCC(C)(C)C)C[C@H]1CC1(Cl)Cl ZINC000829922727 587528116 /nfs/dbraw/zinc/52/81/16/587528116.db2.gz UAFBHKPGORWVGO-SECBINFHSA-N 1 0 238.202 3.548 20 0 BHADRO C[N@H+](CCC(C)(C)C)C[C@@H]1CC1(Cl)Cl ZINC000829922729 587528143 /nfs/dbraw/zinc/52/81/43/587528143.db2.gz UAFBHKPGORWVGO-VIFPVBQESA-N 1 0 238.202 3.548 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1csc(Cl)n1 ZINC000829926672 587528730 /nfs/dbraw/zinc/52/87/30/587528730.db2.gz CKXJEMPXKSTSLR-UHFFFAOYSA-N 1 0 246.807 3.807 20 0 BHADRO C[N@H+](CCC(C)(C)C)Cc1ccc2c(c1)COC2 ZINC000829947642 587529640 /nfs/dbraw/zinc/52/96/40/587529640.db2.gz ZRLVZRCERNJYEA-UHFFFAOYSA-N 1 0 247.382 3.585 20 0 BHADRO Cc1ccc(SCC[C@H]2CCC[N@H+]2C)s1 ZINC000830051571 587533910 /nfs/dbraw/zinc/53/39/10/587533910.db2.gz BBROMZXJGBHFJK-LLVKDONJSA-N 1 0 241.425 3.633 20 0 BHADRO Cc1ccc(SCC[C@@H]2CCC[N@H+]2C)s1 ZINC000830051572 587533727 /nfs/dbraw/zinc/53/37/27/587533727.db2.gz BBROMZXJGBHFJK-NSHDSACASA-N 1 0 241.425 3.633 20 0 BHADRO Cc1ccc(SCCC[NH+]2CCCC2)s1 ZINC000830057649 587534387 /nfs/dbraw/zinc/53/43/87/587534387.db2.gz UMRDGLUDPARPTB-UHFFFAOYSA-N 1 0 241.425 3.635 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1cccc(C2CC2)c1 ZINC000830185201 587540613 /nfs/dbraw/zinc/54/06/13/587540613.db2.gz WRKRXULGWFGMHQ-AEBAWRHJSA-N 1 0 235.758 3.967 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1cccc(C2CC2)c1 ZINC000830185202 587540550 /nfs/dbraw/zinc/54/05/50/587540550.db2.gz WRKRXULGWFGMHQ-DZHRUPLWSA-N 1 0 235.758 3.967 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1cccc(C2CC2)c1 ZINC000830185203 587540536 /nfs/dbraw/zinc/54/05/36/587540536.db2.gz WRKRXULGWFGMHQ-TXGYYHNKSA-N 1 0 235.758 3.967 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1cccc(C2CC2)c1 ZINC000830185204 587540736 /nfs/dbraw/zinc/54/07/36/587540736.db2.gz WRKRXULGWFGMHQ-UVYAAXSVSA-N 1 0 235.758 3.967 20 0 BHADRO CCC1([NH2+]Cc2ncc(C(C)C)o2)CCCC1 ZINC000830781883 587569758 /nfs/dbraw/zinc/56/97/58/587569758.db2.gz BHHHLTYIOUGYMI-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO FC1(F)CC(C[N@@H+]2CCCC[C@@H]2C2CCC2)C1 ZINC000830994410 587580604 /nfs/dbraw/zinc/58/06/04/587580604.db2.gz OJFFSXONAZHHFH-CYBMUJFWSA-N 1 0 243.341 3.686 20 0 BHADRO FC1(F)CC(C[N@@H+]2CCCC[C@H]2C2CCC2)C1 ZINC000830994415 587580334 /nfs/dbraw/zinc/58/03/34/587580334.db2.gz OJFFSXONAZHHFH-ZDUSSCGKSA-N 1 0 243.341 3.686 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C ZINC000831166913 587588516 /nfs/dbraw/zinc/58/85/16/587588516.db2.gz WUDFZQRXGNRPSQ-BJPMOSCESA-N 1 0 203.757 3.543 20 0 BHADRO CCC[C@H]([NH2+]C/C=C/Cl)C(C)(C)C ZINC000831166914 587588394 /nfs/dbraw/zinc/58/83/94/587588394.db2.gz WUDFZQRXGNRPSQ-PCGIRMHASA-N 1 0 203.757 3.543 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C ZINC000831166915 587588631 /nfs/dbraw/zinc/58/86/31/587588631.db2.gz WUDFZQRXGNRPSQ-QEHWCHDUSA-N 1 0 203.757 3.543 20 0 BHADRO CCC[C@H]([NH2+]C/C=C\Cl)C(C)(C)C ZINC000831166916 587588450 /nfs/dbraw/zinc/58/84/50/587588450.db2.gz WUDFZQRXGNRPSQ-ZEBCKKTISA-N 1 0 203.757 3.543 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000831167078 587588499 /nfs/dbraw/zinc/58/84/99/587588499.db2.gz YQZHSUMFFKCCJR-CABCVRRESA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000831167100 587588641 /nfs/dbraw/zinc/58/86/41/587588641.db2.gz YQZHSUMFFKCCJR-GJZGRUSLSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000831167103 587588575 /nfs/dbraw/zinc/58/85/75/587588575.db2.gz YQZHSUMFFKCCJR-HUUCEWRRSA-N 1 0 249.398 3.524 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000831167106 584909056 /nfs/dbraw/zinc/90/90/56/584909056.db2.gz YQZHSUMFFKCCJR-LSDHHAIUSA-N 1 0 249.398 3.524 20 0 BHADRO C[C@@H](c1cccnc1)[NH+]1CCCCCCCC1 ZINC000831925806 587636877 /nfs/dbraw/zinc/63/68/77/587636877.db2.gz ATXZWGBXSSRFBD-AWEZNQCLSA-N 1 0 232.371 3.799 20 0 BHADRO C[C@H](c1cccnc1)[NH+]1CCCCCCCC1 ZINC000831925807 587636996 /nfs/dbraw/zinc/63/69/96/587636996.db2.gz ATXZWGBXSSRFBD-CQSZACIVSA-N 1 0 232.371 3.799 20 0 BHADRO CC(C)n1ccc(C[NH+]2CCCCCCCC2)n1 ZINC000831932544 587636745 /nfs/dbraw/zinc/63/67/45/587636745.db2.gz FBXQCTQZYXNOGW-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO Cc1cccc(C[NH+]2CCCCCCCC2)n1 ZINC000831932575 587637759 /nfs/dbraw/zinc/63/77/59/587637759.db2.gz GFKPXICSMVEMNQ-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO FC(F)(F)CC[NH+]1CCCCCCCC1 ZINC000831932596 587637656 /nfs/dbraw/zinc/63/76/56/587637656.db2.gz GQRBRSSLSWJPEZ-UHFFFAOYSA-N 1 0 223.282 3.595 20 0 BHADRO CC(C)n1ccnc1C[NH+]1CCCCCCCC1 ZINC000831933223 587637333 /nfs/dbraw/zinc/63/73/33/587637333.db2.gz ZGXVVXLQHLCICK-UHFFFAOYSA-N 1 0 249.402 3.620 20 0 BHADRO C[C@@H](c1ccncc1)[NH+]1CCCCCCCC1 ZINC000831933226 587637511 /nfs/dbraw/zinc/63/75/11/587637511.db2.gz ZJQIQIZUSHHTDQ-AWEZNQCLSA-N 1 0 232.371 3.799 20 0 BHADRO C[C@H](c1ccncc1)[NH+]1CCCCCCCC1 ZINC000831933227 587637163 /nfs/dbraw/zinc/63/71/63/587637163.db2.gz ZJQIQIZUSHHTDQ-CQSZACIVSA-N 1 0 232.371 3.799 20 0 BHADRO FC1(F)CC(C[NH+]2CCCCCCCC2)C1 ZINC000831936546 587637358 /nfs/dbraw/zinc/63/73/58/587637358.db2.gz DJXYGXJCECVBGX-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO c1nc(C[NH+]2CCCCCCCC2)oc1C1CC1 ZINC000831936814 587637294 /nfs/dbraw/zinc/63/72/94/587637294.db2.gz GUYJLUBTPMYQPO-UHFFFAOYSA-N 1 0 248.370 3.708 20 0 BHADRO Cc1ccnc(C[NH+]2CCCCCCCC2)c1 ZINC000831936975 587637455 /nfs/dbraw/zinc/63/74/55/587637455.db2.gz JRMBXOADUMKUKU-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO c1cc(CCC[NH+]2CCCCCCCC2)ccn1 ZINC000831937233 587637677 /nfs/dbraw/zinc/63/76/77/587637677.db2.gz NYQAEJLIWYUQOD-UHFFFAOYSA-N 1 0 246.398 3.670 20 0 BHADRO Cc1cncc(C[NH+]2CCCCCCCC2)c1 ZINC000831937327 587637400 /nfs/dbraw/zinc/63/74/00/587637400.db2.gz POTICXZZEQOZTJ-UHFFFAOYSA-N 1 0 232.371 3.546 20 0 BHADRO C[C@@H](c1ccccn1)[NH+]1CCCCCCCC1 ZINC000831937390 587637477 /nfs/dbraw/zinc/63/74/77/587637477.db2.gz QUCLMAJGIQNRRG-AWEZNQCLSA-N 1 0 232.371 3.799 20 0 BHADRO C[C@H](c1ccccn1)[NH+]1CCCCCCCC1 ZINC000831937391 587637689 /nfs/dbraw/zinc/63/76/89/587637689.db2.gz QUCLMAJGIQNRRG-CQSZACIVSA-N 1 0 232.371 3.799 20 0 BHADRO Cc1cnc([C@@H](C)[NH+]2CCCCCCCC2)o1 ZINC000831937547 587637364 /nfs/dbraw/zinc/63/73/64/587637364.db2.gz USEXAAYFKSBHJJ-CYBMUJFWSA-N 1 0 236.359 3.700 20 0 BHADRO Cc1cnc([C@H](C)[NH+]2CCCCCCCC2)o1 ZINC000831937549 587637223 /nfs/dbraw/zinc/63/72/23/587637223.db2.gz USEXAAYFKSBHJJ-ZDUSSCGKSA-N 1 0 236.359 3.700 20 0 BHADRO Cc1cnc([C@H](C)[NH+]2CCCCCCCC2)cn1 ZINC000831937783 587637312 /nfs/dbraw/zinc/63/73/12/587637312.db2.gz WSALSIPEQYGZQC-AWEZNQCLSA-N 1 0 247.386 3.502 20 0 BHADRO Cc1cnc([C@@H](C)[NH+]2CCCCCCCC2)cn1 ZINC000831937784 587637426 /nfs/dbraw/zinc/63/74/26/587637426.db2.gz WSALSIPEQYGZQC-CQSZACIVSA-N 1 0 247.386 3.502 20 0 BHADRO Cl/C=C\CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000832225365 587651727 /nfs/dbraw/zinc/65/17/27/587651727.db2.gz LKPUBBSQFGSSFO-AUXFESMGSA-N 1 0 237.730 3.559 20 0 BHADRO Cl/C=C\CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832225366 587651163 /nfs/dbraw/zinc/65/11/63/587651163.db2.gz LKPUBBSQFGSSFO-MIBUCLJRSA-N 1 0 237.730 3.559 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1C/C(Cl)=C\Cl ZINC000832564305 587666650 /nfs/dbraw/zinc/66/66/50/587666650.db2.gz FCYJGYJKXFZUPA-CYXIBPNKSA-N 1 0 222.159 3.568 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1C/C(Cl)=C\Cl ZINC000832564310 587666404 /nfs/dbraw/zinc/66/64/04/587666404.db2.gz FCYJGYJKXFZUPA-GTUWVTDSSA-N 1 0 222.159 3.568 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1C/C(Cl)=C/Cl ZINC000832564311 587666681 /nfs/dbraw/zinc/66/66/81/587666681.db2.gz FCYJGYJKXFZUPA-HWPCKVLBSA-N 1 0 222.159 3.568 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1C/C(Cl)=C/Cl ZINC000832564313 587666550 /nfs/dbraw/zinc/66/65/50/587666550.db2.gz FCYJGYJKXFZUPA-WSQKDGNHSA-N 1 0 222.159 3.568 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1CCc1cccs1 ZINC000832565506 587667055 /nfs/dbraw/zinc/66/70/55/587667055.db2.gz UMLUIQGERXNQRP-LLVKDONJSA-N 1 0 223.385 3.554 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1CCc1cccs1 ZINC000832565507 587666927 /nfs/dbraw/zinc/66/69/27/587666927.db2.gz UMLUIQGERXNQRP-NSHDSACASA-N 1 0 223.385 3.554 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2[C@H](C)CCC2(C)C)o1 ZINC000832565517 587666898 /nfs/dbraw/zinc/66/68/98/587666898.db2.gz UPQSOQCFIVCPEE-LLVKDONJSA-N 1 0 236.359 3.561 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2[C@@H](C)CCC2(C)C)o1 ZINC000832565519 587666930 /nfs/dbraw/zinc/66/69/30/587666930.db2.gz UPQSOQCFIVCPEE-NSHDSACASA-N 1 0 236.359 3.561 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000832566137 587666566 /nfs/dbraw/zinc/66/65/66/587666566.db2.gz ZTPREVLFLGLMOL-MRVPVSSYSA-N 1 0 244.791 3.559 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000832566139 587666471 /nfs/dbraw/zinc/66/64/71/587666471.db2.gz ZTPREVLFLGLMOL-QMMMGPOBSA-N 1 0 244.791 3.559 20 0 BHADRO CC(C)[N@H+](C/C=C/Cl)C1CC(C)(C)C1 ZINC000832761925 587685650 /nfs/dbraw/zinc/68/56/50/587685650.db2.gz XRLZCOWBIRQNGQ-AATRIKPKSA-N 1 0 215.768 3.638 20 0 BHADRO CC(C)[N@H+](C/C=C\Cl)C1CC(C)(C)C1 ZINC000832761926 587685506 /nfs/dbraw/zinc/68/55/06/587685506.db2.gz XRLZCOWBIRQNGQ-WAYWQWQTSA-N 1 0 215.768 3.638 20 0 BHADRO CCCCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000834487597 587756628 /nfs/dbraw/zinc/75/66/28/587756628.db2.gz ISIYJIVUPOJWJO-HNNXBMFYSA-N 1 0 248.414 3.963 20 0 BHADRO CCCCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000834487598 587756653 /nfs/dbraw/zinc/75/66/53/587756653.db2.gz ISIYJIVUPOJWJO-OAHLLOKOSA-N 1 0 248.414 3.963 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000834518236 587758554 /nfs/dbraw/zinc/75/85/54/587758554.db2.gz GRXXHABAZMEJBH-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000834518245 587758454 /nfs/dbraw/zinc/75/84/54/587758454.db2.gz GRXXHABAZMEJBH-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000834530142 587758834 /nfs/dbraw/zinc/75/88/34/587758834.db2.gz COZSSKAQVVVHCP-CHWSQXEVSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000834530143 587758895 /nfs/dbraw/zinc/75/88/95/587758895.db2.gz COZSSKAQVVVHCP-OLZOCXBDSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000834530144 587758951 /nfs/dbraw/zinc/75/89/51/587758951.db2.gz COZSSKAQVVVHCP-QWHCGFSZSA-N 1 0 249.398 3.654 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000834530145 587758802 /nfs/dbraw/zinc/75/88/02/587758802.db2.gz COZSSKAQVVVHCP-STQMWFEESA-N 1 0 249.398 3.654 20 0 BHADRO CC[C@H]([NH2+]CCCCC(C)C)c1ccncc1 ZINC000834598035 587760389 /nfs/dbraw/zinc/76/03/89/587760389.db2.gz MEYCZSTZXLYKDC-HNNXBMFYSA-N 1 0 234.387 3.949 20 0 BHADRO CC[C@@H]([NH2+]CCCCC(C)C)c1ccncc1 ZINC000834598054 587760380 /nfs/dbraw/zinc/76/03/80/587760380.db2.gz MEYCZSTZXLYKDC-OAHLLOKOSA-N 1 0 234.387 3.949 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000834602273 587760239 /nfs/dbraw/zinc/76/02/39/587760239.db2.gz NJEVTFVKNTUNSZ-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000834602274 587760197 /nfs/dbraw/zinc/76/01/97/587760197.db2.gz NJEVTFVKNTUNSZ-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000834602275 587760220 /nfs/dbraw/zinc/76/02/20/587760220.db2.gz NJEVTFVKNTUNSZ-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000834602276 587760417 /nfs/dbraw/zinc/76/04/17/587760417.db2.gz NJEVTFVKNTUNSZ-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)SC ZINC000834610950 587760729 /nfs/dbraw/zinc/76/07/29/587760729.db2.gz AOKTTXSPDVYZIV-JTQLQIEISA-N 1 0 217.422 3.542 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)SC ZINC000834610951 587760817 /nfs/dbraw/zinc/76/08/17/587760817.db2.gz AOKTTXSPDVYZIV-SNVBAGLBSA-N 1 0 217.422 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834611007 587760772 /nfs/dbraw/zinc/76/07/72/587760772.db2.gz BLIOBOYDZKSIMA-CYBMUJFWSA-N 1 0 241.444 3.686 20 0 BHADRO CSC(C)(C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834611008 587760882 /nfs/dbraw/zinc/76/08/82/587760882.db2.gz BLIOBOYDZKSIMA-ZDUSSCGKSA-N 1 0 241.444 3.686 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000834616471 587760997 /nfs/dbraw/zinc/76/09/97/587760997.db2.gz OLPVDWZNJANUQG-CYBMUJFWSA-N 1 0 234.387 3.513 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCNc1ccccc1 ZINC000834616472 587761168 /nfs/dbraw/zinc/76/11/68/587761168.db2.gz OLPVDWZNJANUQG-ZDUSSCGKSA-N 1 0 234.387 3.513 20 0 BHADRO Cc1cc(C[NH2+][C@H](C2CC2)C2CCC2)c(C)o1 ZINC000834650850 587762739 /nfs/dbraw/zinc/76/27/39/587762739.db2.gz RKCMDSULFZYXFH-HNNXBMFYSA-N 1 0 233.355 3.565 20 0 BHADRO Cc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)c(C)o1 ZINC000834650851 587762717 /nfs/dbraw/zinc/76/27/17/587762717.db2.gz RKCMDSULFZYXFH-OAHLLOKOSA-N 1 0 233.355 3.565 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cccc(F)n1)C(C)(C)C ZINC000834689544 587764279 /nfs/dbraw/zinc/76/42/79/587764279.db2.gz OQTDHJUUGBNEQG-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1cccc(F)n1)C(C)(C)C ZINC000834689545 587764261 /nfs/dbraw/zinc/76/42/61/587764261.db2.gz OQTDHJUUGBNEQG-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@H]1CCCC[C@@H]1C ZINC000834692686 587764203 /nfs/dbraw/zinc/76/42/03/587764203.db2.gz HDGZRZYZCMDBJV-CRWXNKLISA-N 1 0 234.387 3.880 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@H]1CCCC[C@H]1C ZINC000834692687 587764207 /nfs/dbraw/zinc/76/42/07/587764207.db2.gz HDGZRZYZCMDBJV-MQYQWHSLSA-N 1 0 234.387 3.880 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@@H]1CCCC[C@@H]1C ZINC000834692688 587764144 /nfs/dbraw/zinc/76/41/44/587764144.db2.gz HDGZRZYZCMDBJV-RFQIPJPRSA-N 1 0 234.387 3.880 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@@H]1CCCC[C@H]1C ZINC000834692689 587764331 /nfs/dbraw/zinc/76/43/31/587764331.db2.gz HDGZRZYZCMDBJV-YIYPIFLZSA-N 1 0 234.387 3.880 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cs1 ZINC000834694125 587764418 /nfs/dbraw/zinc/76/44/18/587764418.db2.gz SUUADJZXCOOQJH-GHMZBOCLSA-N 1 0 234.368 3.796 20 0 BHADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cs1 ZINC000834694131 587764518 /nfs/dbraw/zinc/76/45/18/587764518.db2.gz SUUADJZXCOOQJH-MNOVXSKESA-N 1 0 234.368 3.796 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cs1 ZINC000834694132 587764504 /nfs/dbraw/zinc/76/45/04/587764504.db2.gz SUUADJZXCOOQJH-QWRGUYRKSA-N 1 0 234.368 3.796 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cs1 ZINC000834694134 587764473 /nfs/dbraw/zinc/76/44/73/587764473.db2.gz SUUADJZXCOOQJH-WDEREUQCSA-N 1 0 234.368 3.796 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694920 587764387 /nfs/dbraw/zinc/76/43/87/587764387.db2.gz ZPXPRRITPKAUDP-CMPLNLGQSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694921 587764430 /nfs/dbraw/zinc/76/44/30/587764430.db2.gz ZPXPRRITPKAUDP-JQWIXIFHSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694923 587764591 /nfs/dbraw/zinc/76/45/91/587764591.db2.gz ZPXPRRITPKAUDP-PWSUYJOCSA-N 1 0 234.368 3.878 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694924 587764486 /nfs/dbraw/zinc/76/44/86/587764486.db2.gz ZPXPRRITPKAUDP-ZYHUDNBSSA-N 1 0 234.368 3.878 20 0 BHADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000834714171 587764710 /nfs/dbraw/zinc/76/47/10/587764710.db2.gz QJUUZFSCLNZFIV-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C1(C)CC1 ZINC000834714172 587764807 /nfs/dbraw/zinc/76/48/07/587764807.db2.gz QJUUZFSCLNZFIV-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1(C)CC1 ZINC000834714173 587764694 /nfs/dbraw/zinc/76/46/94/587764694.db2.gz QJUUZFSCLNZFIV-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C1(C)CC1 ZINC000834714174 587764750 /nfs/dbraw/zinc/76/47/50/587764750.db2.gz QJUUZFSCLNZFIV-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000834790065 587766888 /nfs/dbraw/zinc/76/68/88/587766888.db2.gz KYTAJTVQCYCFLP-CYZMBNFOSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000834790077 587766847 /nfs/dbraw/zinc/76/68/47/587766847.db2.gz KYTAJTVQCYCFLP-DRZSPHRISA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000834790079 587766918 /nfs/dbraw/zinc/76/69/18/587766918.db2.gz KYTAJTVQCYCFLP-UHTWSYAYSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000834790080 587766839 /nfs/dbraw/zinc/76/68/39/587766839.db2.gz KYTAJTVQCYCFLP-WCFLWFBJSA-N 1 0 209.377 3.589 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC000834807365 587767070 /nfs/dbraw/zinc/76/70/70/587767070.db2.gz OLNVOGUEGUHEAO-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC000834807372 587767286 /nfs/dbraw/zinc/76/72/86/587767286.db2.gz OLNVOGUEGUHEAO-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(C)(F)F ZINC000834818974 587767436 /nfs/dbraw/zinc/76/74/36/587767436.db2.gz QYLQLDUUAVSIGB-CYBMUJFWSA-N 1 0 239.309 3.617 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(C)(F)F ZINC000834818975 587767533 /nfs/dbraw/zinc/76/75/33/587767533.db2.gz QYLQLDUUAVSIGB-ZDUSSCGKSA-N 1 0 239.309 3.617 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC(C)(F)F ZINC000834819396 587767554 /nfs/dbraw/zinc/76/75/54/587767554.db2.gz VNOUWWJENUUFGH-JTQLQIEISA-N 1 0 245.288 3.830 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC(C)(F)F ZINC000834819401 587767478 /nfs/dbraw/zinc/76/74/78/587767478.db2.gz VNOUWWJENUUFGH-SNVBAGLBSA-N 1 0 245.288 3.830 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC000834837025 587768606 /nfs/dbraw/zinc/76/86/06/587768606.db2.gz REZMLQMLHISVTB-LLVKDONJSA-N 1 0 248.370 3.696 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CC1=CCCCC1 ZINC000834837026 587768623 /nfs/dbraw/zinc/76/86/23/587768623.db2.gz REZMLQMLHISVTB-NSHDSACASA-N 1 0 248.370 3.696 20 0 BHADRO CC[C@H]([NH2+]C1(CC)CC1)c1ccc2c(c1)CCO2 ZINC000834874050 587768952 /nfs/dbraw/zinc/76/89/52/587768952.db2.gz ASSXACGMJSBMRV-AWEZNQCLSA-N 1 0 245.366 3.605 20 0 BHADRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccc2c(c1)CCO2 ZINC000834874052 587768937 /nfs/dbraw/zinc/76/89/37/587768937.db2.gz ASSXACGMJSBMRV-CQSZACIVSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000834875765 587769109 /nfs/dbraw/zinc/76/91/09/587769109.db2.gz TWSNCJYKQXQDSF-AWEZNQCLSA-N 1 0 215.340 3.515 20 0 BHADRO CCC1([NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000834875766 587768938 /nfs/dbraw/zinc/76/89/38/587768938.db2.gz TWSNCJYKQXQDSF-CQSZACIVSA-N 1 0 215.340 3.515 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000834875860 587768951 /nfs/dbraw/zinc/76/89/51/587768951.db2.gz UWRUOCVYLTXFGU-LLVKDONJSA-N 1 0 221.319 3.727 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000834875861 587769167 /nfs/dbraw/zinc/76/91/67/587769167.db2.gz UWRUOCVYLTXFGU-NSHDSACASA-N 1 0 221.319 3.727 20 0 BHADRO CCOc1cccc([C@@H](C)[NH2+]C2(CC)CC2)c1 ZINC000834876077 587769177 /nfs/dbraw/zinc/76/91/77/587769177.db2.gz YAMJITDWZNGQHP-GFCCVEGCSA-N 1 0 233.355 3.679 20 0 BHADRO CCOc1cccc([C@H](C)[NH2+]C2(CC)CC2)c1 ZINC000834876078 587768982 /nfs/dbraw/zinc/76/89/82/587768982.db2.gz YAMJITDWZNGQHP-LBPRGKRZSA-N 1 0 233.355 3.679 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000834879872 587769430 /nfs/dbraw/zinc/76/94/30/587769430.db2.gz XXWXQJSGXATUEL-GXTWGEPZSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000834879873 587769457 /nfs/dbraw/zinc/76/94/57/587769457.db2.gz XXWXQJSGXATUEL-JSGCOSHPSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000834879874 587769033 /nfs/dbraw/zinc/76/90/33/587769033.db2.gz XXWXQJSGXATUEL-OCCSQVGLSA-N 1 0 249.402 3.514 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000834879875 587769361 /nfs/dbraw/zinc/76/93/61/587769361.db2.gz XXWXQJSGXATUEL-TZMCWYRMSA-N 1 0 249.402 3.514 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000834901264 587769829 /nfs/dbraw/zinc/76/98/29/587769829.db2.gz RMIBXYRJGQRPDI-AAEUAGOBSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000834901265 587769901 /nfs/dbraw/zinc/76/99/01/587769901.db2.gz RMIBXYRJGQRPDI-DGCLKSJQSA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000834901266 587769911 /nfs/dbraw/zinc/76/99/11/587769911.db2.gz RMIBXYRJGQRPDI-WCQYABFASA-N 1 0 238.375 3.541 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000834901267 587770034 /nfs/dbraw/zinc/77/00/34/587770034.db2.gz RMIBXYRJGQRPDI-YPMHNXCESA-N 1 0 238.375 3.541 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000834910120 587770155 /nfs/dbraw/zinc/77/01/55/587770155.db2.gz NHLCTMJHAUUBAS-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000834910123 587770260 /nfs/dbraw/zinc/77/02/60/587770260.db2.gz NHLCTMJHAUUBAS-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000834910126 587770332 /nfs/dbraw/zinc/77/03/32/587770332.db2.gz NHLCTMJHAUUBAS-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000834910127 587770390 /nfs/dbraw/zinc/77/03/90/587770390.db2.gz NHLCTMJHAUUBAS-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000834910760 587770397 /nfs/dbraw/zinc/77/03/97/587770397.db2.gz ZDYZTTOMRAVSGF-LLVKDONJSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000834910761 587770396 /nfs/dbraw/zinc/77/03/96/587770396.db2.gz ZDYZTTOMRAVSGF-NSHDSACASA-N 1 0 233.346 3.980 20 0 BHADRO CC(C)(C[NH2+]C1CC(C(F)F)C1)C1=CCCC1 ZINC000835059209 587779671 /nfs/dbraw/zinc/77/96/71/587779671.db2.gz OZBQWSKQCNZPRF-UHFFFAOYSA-N 1 0 243.341 3.756 20 0 BHADRO FC(F)C1CC([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000835059888 587779568 /nfs/dbraw/zinc/77/95/68/587779568.db2.gz ZBQJVXHBOHKDCE-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cccnc1Cl ZINC000835064168 587779819 /nfs/dbraw/zinc/77/98/19/587779819.db2.gz FBKWRZWQWPTONT-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cccnc1Cl ZINC000835064171 587779859 /nfs/dbraw/zinc/77/98/59/587779859.db2.gz FBKWRZWQWPTONT-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO FC(F)C1CC(Nc2ccc3c[nH+]ccc3c2)C1 ZINC000835067013 587779888 /nfs/dbraw/zinc/77/98/88/587779888.db2.gz YMTIHRCERLSLTE-UHFFFAOYSA-N 1 0 248.276 3.690 20 0 BHADRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1coc(C2CC2)n1 ZINC000835073967 587780174 /nfs/dbraw/zinc/78/01/74/587780174.db2.gz PPFSXZSLJJGCCE-ABAIWWIYSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1coc(C2CC2)n1 ZINC000835073968 587780211 /nfs/dbraw/zinc/78/02/11/587780211.db2.gz PPFSXZSLJJGCCE-IAQYHMDHSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1coc(C2CC2)n1 ZINC000835073969 587780219 /nfs/dbraw/zinc/78/02/19/587780219.db2.gz PPFSXZSLJJGCCE-NHYWBVRUSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1coc(C2CC2)n1 ZINC000835073970 587780099 /nfs/dbraw/zinc/78/00/99/587780099.db2.gz PPFSXZSLJJGCCE-XHDPSFHLSA-N 1 0 248.370 3.610 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)c(Cl)n1 ZINC000838895367 585079251 /nfs/dbraw/zinc/07/92/51/585079251.db2.gz QPNUGNFJEDZGRV-JTQLQIEISA-N 1 0 240.778 3.568 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)c(Cl)n1 ZINC000838895528 585079409 /nfs/dbraw/zinc/07/94/09/585079409.db2.gz QPNUGNFJEDZGRV-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838896132 585079235 /nfs/dbraw/zinc/07/92/35/585079235.db2.gz WUUHWJBOEOKUPN-CYBMUJFWSA-N 1 0 246.398 3.629 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838896133 585079393 /nfs/dbraw/zinc/07/93/93/585079393.db2.gz WUUHWJBOEOKUPN-ZDUSSCGKSA-N 1 0 246.398 3.629 20 0 BHADRO Cc1ccc(C[NH+](C(C)C)C(C)C)c(Cl)n1 ZINC000838909406 585077660 /nfs/dbraw/zinc/07/76/60/585077660.db2.gz GKFMUHYSVPOJJU-UHFFFAOYSA-N 1 0 240.778 3.662 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000838919353 585078308 /nfs/dbraw/zinc/07/83/08/585078308.db2.gz CRKRICBCWYXHEK-GXSJLCMTSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000838919354 585078357 /nfs/dbraw/zinc/07/83/57/585078357.db2.gz CRKRICBCWYXHEK-KOLCDFICSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000838919355 585078380 /nfs/dbraw/zinc/07/83/80/585078380.db2.gz CRKRICBCWYXHEK-MWLCHTKSSA-N 1 0 240.778 3.568 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000838919356 585078125 /nfs/dbraw/zinc/07/81/25/585078125.db2.gz CRKRICBCWYXHEK-ONGXEEELSA-N 1 0 240.778 3.568 20 0 BHADRO C[C@H](C[NH2+]C1CC2(CCC2)C1)c1cccc(F)c1 ZINC000838919788 585078375 /nfs/dbraw/zinc/07/83/75/585078375.db2.gz PQLMHQIJFRKNOI-GFCCVEGCSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(CCC2)C1)c1cccc(F)c1 ZINC000838919789 585078345 /nfs/dbraw/zinc/07/83/45/585078345.db2.gz PQLMHQIJFRKNOI-LBPRGKRZSA-N 1 0 247.357 3.852 20 0 BHADRO CSCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000838962161 585082377 /nfs/dbraw/zinc/08/23/77/585082377.db2.gz NDIMUKFAMXDJEJ-SNPRPXQTSA-N 1 0 249.423 3.521 20 0 BHADRO Cc1cccc(F)c1C[NH2+]C1CC2(CCC2)C1 ZINC000838969349 585082844 /nfs/dbraw/zinc/08/28/44/585082844.db2.gz WMUHKLFIJPHACK-UHFFFAOYSA-N 1 0 233.330 3.556 20 0 BHADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc[nH]1 ZINC000838984813 585084408 /nfs/dbraw/zinc/08/44/08/585084408.db2.gz WXEBPZAQQDKMLG-LLVKDONJSA-N 1 0 248.757 3.561 20 0 BHADRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc[nH]1 ZINC000838984814 585084182 /nfs/dbraw/zinc/08/41/82/585084182.db2.gz WXEBPZAQQDKMLG-NSHDSACASA-N 1 0 248.757 3.561 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc[nH]1 ZINC000838984833 585084522 /nfs/dbraw/zinc/08/45/22/585084522.db2.gz XBVFQTXQUUZVHP-GFCCVEGCSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc[nH]1 ZINC000838984834 585084502 /nfs/dbraw/zinc/08/45/02/585084502.db2.gz XBVFQTXQUUZVHP-LBPRGKRZSA-N 1 0 240.350 3.743 20 0 BHADRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc[nH]1 ZINC000838984849 585084181 /nfs/dbraw/zinc/08/41/81/585084181.db2.gz XKRCVEXFKCZWGD-LLVKDONJSA-N 1 0 248.757 3.561 20 0 BHADRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc[nH]1 ZINC000838984851 585084466 /nfs/dbraw/zinc/08/44/66/585084466.db2.gz XKRCVEXFKCZWGD-NSHDSACASA-N 1 0 248.757 3.561 20 0 BHADRO CSCCCCCC[NH2+]C1CC2(CCC2)C1 ZINC000839008761 585086572 /nfs/dbraw/zinc/08/65/72/585086572.db2.gz OVDWBWBZVYPGEP-UHFFFAOYSA-N 1 0 241.444 3.832 20 0 BHADRO CC(C)OC1CC([NH+]2CCCCCCCC2)C1 ZINC000839026800 585088029 /nfs/dbraw/zinc/08/80/29/585088029.db2.gz ACUSXHIRHDXIJD-UHFFFAOYSA-N 1 0 239.403 3.599 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CCC3)CCC2)c(C)o1 ZINC000839186869 585097087 /nfs/dbraw/zinc/09/70/87/585097087.db2.gz QCNDVJKUTBBNLO-UHFFFAOYSA-N 1 0 233.355 3.709 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190165 585096894 /nfs/dbraw/zinc/09/68/94/585096894.db2.gz DDXQQXZCMQHRNW-OYNZBZHQSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190166 585097002 /nfs/dbraw/zinc/09/70/02/585097002.db2.gz DDXQQXZCMQHRNW-RUAUBTSSSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190167 585096913 /nfs/dbraw/zinc/09/69/13/585096913.db2.gz DDXQQXZCMQHRNW-YOENINGUSA-N 1 0 247.357 3.535 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190480 585097432 /nfs/dbraw/zinc/09/74/32/585097432.db2.gz GIWYAMPPDWSOKS-FVCCEPFGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190481 585097334 /nfs/dbraw/zinc/09/73/34/585097334.db2.gz GIWYAMPPDWSOKS-NDBYEHHHSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190482 585097276 /nfs/dbraw/zinc/09/72/76/585097276.db2.gz GIWYAMPPDWSOKS-QNWHQSFQSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190483 585097415 /nfs/dbraw/zinc/09/74/15/585097415.db2.gz GIWYAMPPDWSOKS-RNJOBUHISA-N 1 0 241.444 3.685 20 0 BHADRO CCC[C@H]([NH2+]Cc1coc(C2CC2)n1)C1CCC1 ZINC000839191303 585097608 /nfs/dbraw/zinc/09/76/08/585097608.db2.gz HDLGXLRXDWBTEK-AWEZNQCLSA-N 1 0 248.370 3.610 20 0 BHADRO CCC[C@@H]([NH2+]Cc1coc(C2CC2)n1)C1CCC1 ZINC000839191305 585097557 /nfs/dbraw/zinc/09/75/57/585097557.db2.gz HDLGXLRXDWBTEK-CQSZACIVSA-N 1 0 248.370 3.610 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000839272237 585100856 /nfs/dbraw/zinc/10/08/56/585100856.db2.gz GUCAKZNATBWXFW-QGOGUYACSA-N 1 0 221.731 3.576 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000839272241 585100901 /nfs/dbraw/zinc/10/09/01/585100901.db2.gz GUCAKZNATBWXFW-WYOARUQKSA-N 1 0 221.731 3.576 20 0 BHADRO Cc1cc(C[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000839535820 585329380 /nfs/dbraw/zinc/32/93/80/585329380.db2.gz INYZHJXJRFUPFR-UHFFFAOYSA-N 1 0 240.778 3.662 20 0 BHADRO C[N@H+](CCF)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651556 585333469 /nfs/dbraw/zinc/33/34/69/585333469.db2.gz UTNMFNHIESDTFO-CABCVRRESA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCF)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839651557 585333399 /nfs/dbraw/zinc/33/33/99/585333399.db2.gz UTNMFNHIESDTFO-GJZGRUSLSA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCF)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651558 585333306 /nfs/dbraw/zinc/33/33/06/585333306.db2.gz UTNMFNHIESDTFO-HUUCEWRRSA-N 1 0 235.346 3.614 20 0 BHADRO C[N@H+](CCF)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839651559 585333391 /nfs/dbraw/zinc/33/33/91/585333391.db2.gz UTNMFNHIESDTFO-LSDHHAIUSA-N 1 0 235.346 3.614 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000840844416 582752704 /nfs/dbraw/zinc/75/27/04/582752704.db2.gz RLJOPZPYDKWQKZ-IIAWOOMASA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000840844417 582752736 /nfs/dbraw/zinc/75/27/36/582752736.db2.gz RLJOPZPYDKWQKZ-IJEWVQPXSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000840844418 582752826 /nfs/dbraw/zinc/75/28/26/582752826.db2.gz RLJOPZPYDKWQKZ-OFQRWUPVSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000840844419 582752788 /nfs/dbraw/zinc/75/27/88/582752788.db2.gz RLJOPZPYDKWQKZ-SQWLQELKSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000840845108 587925278 /nfs/dbraw/zinc/92/52/78/587925278.db2.gz XNLDBFVHWOVYNO-BNOWGMLFSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000840845109 587925175 /nfs/dbraw/zinc/92/51/75/587925175.db2.gz XNLDBFVHWOVYNO-IACUBPJLSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000840845111 587925204 /nfs/dbraw/zinc/92/52/04/587925204.db2.gz XNLDBFVHWOVYNO-MRVWCRGKSA-N 1 0 203.329 3.526 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000840845113 587925276 /nfs/dbraw/zinc/92/52/76/587925276.db2.gz XNLDBFVHWOVYNO-YUTCNCBUSA-N 1 0 203.329 3.526 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(F)F)s1 ZINC000840878076 582886480 /nfs/dbraw/zinc/88/64/80/582886480.db2.gz AFRVQCRZAJMWEK-GUBZILKMSA-N 1 0 245.338 3.751 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(F)F)s1 ZINC000840878079 582886628 /nfs/dbraw/zinc/88/66/28/582886628.db2.gz AFRVQCRZAJMWEK-KXUCPTDWSA-N 1 0 245.338 3.751 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(F)F)s1 ZINC000840878109 582886460 /nfs/dbraw/zinc/88/64/60/582886460.db2.gz AFRVQCRZAJMWEK-LPEHRKFASA-N 1 0 245.338 3.751 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(F)F)s1 ZINC000840878121 582886219 /nfs/dbraw/zinc/88/62/19/582886219.db2.gz AFRVQCRZAJMWEK-UTLUCORTSA-N 1 0 245.338 3.751 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000840878766 587927652 /nfs/dbraw/zinc/92/76/52/587927652.db2.gz ILAKFQANNLFNQA-QJPTWQEYSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000840878767 587927438 /nfs/dbraw/zinc/92/74/38/587927438.db2.gz ILAKFQANNLFNQA-SDDRHHMPSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000840878768 587927444 /nfs/dbraw/zinc/92/74/44/587927444.db2.gz ILAKFQANNLFNQA-SRVKXCTJSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000840878769 587927592 /nfs/dbraw/zinc/92/75/92/587927592.db2.gz ILAKFQANNLFNQA-TUAOUCFPSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000840879907 587927411 /nfs/dbraw/zinc/92/74/11/587927411.db2.gz USPQNUWCTNSAOJ-AXFHLTTASA-N 1 0 219.319 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000840879910 587927566 /nfs/dbraw/zinc/92/75/66/587927566.db2.gz USPQNUWCTNSAOJ-DCAQKATOSA-N 1 0 219.319 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000840879911 587927538 /nfs/dbraw/zinc/92/75/38/587927538.db2.gz USPQNUWCTNSAOJ-GARJFASQSA-N 1 0 219.319 3.589 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000840879912 587927578 /nfs/dbraw/zinc/92/75/78/587927578.db2.gz USPQNUWCTNSAOJ-HBNTYKKESA-N 1 0 219.319 3.589 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@H]1CC1(F)F ZINC000840883829 587928009 /nfs/dbraw/zinc/92/80/09/587928009.db2.gz XLNQWNQJIQKMLF-CMPLNLGQSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]([NH2+]C1CCCCCCC1)[C@@H]1CC1(F)F ZINC000840883830 587927895 /nfs/dbraw/zinc/92/78/95/587927895.db2.gz XLNQWNQJIQKMLF-JQWIXIFHSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@@H]1CC1(F)F ZINC000840883831 587928029 /nfs/dbraw/zinc/92/80/29/587928029.db2.gz XLNQWNQJIQKMLF-PWSUYJOCSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]([NH2+]C1CCCCCCC1)[C@H]1CC1(F)F ZINC000840883832 587927866 /nfs/dbraw/zinc/92/78/66/587927866.db2.gz XLNQWNQJIQKMLF-ZYHUDNBSSA-N 1 0 231.330 3.733 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000840884266 582925237 /nfs/dbraw/zinc/92/52/37/582925237.db2.gz LJEGJPGSFNFJRO-CHWSQXEVSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000840884268 582924921 /nfs/dbraw/zinc/92/49/21/582924921.db2.gz LJEGJPGSFNFJRO-OLZOCXBDSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000840884270 582924958 /nfs/dbraw/zinc/92/49/58/582924958.db2.gz LJEGJPGSFNFJRO-QWHCGFSZSA-N 1 0 227.392 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000840884271 582925109 /nfs/dbraw/zinc/92/51/09/582925109.db2.gz LJEGJPGSFNFJRO-STQMWFEESA-N 1 0 227.392 3.502 20 0 BHADRO Cc1occc1C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000840886054 587928204 /nfs/dbraw/zinc/92/82/04/587928204.db2.gz MTTAUWNGJJNNBD-LLVKDONJSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1occc1C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000840886055 587928188 /nfs/dbraw/zinc/92/81/88/587928188.db2.gz MTTAUWNGJJNNBD-NSHDSACASA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(CNc2[nH+]ccn2C2CC2)c(C)s1 ZINC000840887486 587927973 /nfs/dbraw/zinc/92/79/73/587927973.db2.gz XTQUWDLOIYVDOP-UHFFFAOYSA-N 1 0 247.367 3.508 20 0 BHADRO Cc1occc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000840889178 587928651 /nfs/dbraw/zinc/92/86/51/587928651.db2.gz POIHAGWPOKPXSR-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000840891964 587928585 /nfs/dbraw/zinc/92/85/85/587928585.db2.gz LNOSMAYOCTUCDU-AWEZNQCLSA-N 1 0 248.414 3.918 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000840891966 587928612 /nfs/dbraw/zinc/92/86/12/587928612.db2.gz LNOSMAYOCTUCDU-CQSZACIVSA-N 1 0 248.414 3.918 20 0 BHADRO Cc1cc(C[NH2+]C[C@H](C)CC(F)(F)F)c(C)o1 ZINC000840963858 587932191 /nfs/dbraw/zinc/93/21/91/587932191.db2.gz OFJSSMAKZZXYKH-MRVPVSSYSA-N 1 0 249.276 3.575 20 0 BHADRO Cc1cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c(C)o1 ZINC000840963859 587932526 /nfs/dbraw/zinc/93/25/26/587932526.db2.gz OFJSSMAKZZXYKH-QMMMGPOBSA-N 1 0 249.276 3.575 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCCC1)[C@@H]1CC1(F)F ZINC000840968429 587932654 /nfs/dbraw/zinc/93/26/54/587932654.db2.gz RVNKPILWNODHDY-AAEUAGOBSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCCC1)[C@H]1CC1(F)F ZINC000840968430 587932421 /nfs/dbraw/zinc/93/24/21/587932421.db2.gz RVNKPILWNODHDY-DGCLKSJQSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCCC1)[C@H]1CC1(F)F ZINC000840968431 587932672 /nfs/dbraw/zinc/93/26/72/587932672.db2.gz RVNKPILWNODHDY-WCQYABFASA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCCC1)[C@@H]1CC1(F)F ZINC000840968432 635507953 /nfs/dbraw/zinc/50/79/53/635507953.db2.gz RVNKPILWNODHDY-YPMHNXCESA-N 1 0 245.357 3.980 20 0 BHADRO CC[N@H+](Cc1coc(C2CC2)n1)C1CC(C)(C)C1 ZINC000840971269 587933274 /nfs/dbraw/zinc/93/32/74/587933274.db2.gz KSMPRPZPMCRFOO-UHFFFAOYSA-N 1 0 248.370 3.563 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000840971906 587933458 /nfs/dbraw/zinc/93/34/58/587933458.db2.gz UTFNQWMDFASCER-HCWSGVFWSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000840971907 587933016 /nfs/dbraw/zinc/93/30/16/587933016.db2.gz UTFNQWMDFASCER-KIDURHIOSA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000840971908 587932914 /nfs/dbraw/zinc/93/29/14/587932914.db2.gz UTFNQWMDFASCER-MMVSWEMESA-N 1 0 245.357 3.835 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000840971909 587933345 /nfs/dbraw/zinc/93/33/45/587933345.db2.gz UTFNQWMDFASCER-QQFIATSDSA-N 1 0 245.357 3.835 20 0 BHADRO Cc1cc(N)cc(C[NH2+]C2CCCCCCC2)c1 ZINC000841071630 587943842 /nfs/dbraw/zinc/94/38/42/587943842.db2.gz RVFFDUFDCNVXTJ-UHFFFAOYSA-N 1 0 246.398 3.780 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000841072144 584446899 /nfs/dbraw/zinc/44/68/99/584446899.db2.gz WQRIYRCOEPALEP-CYBMUJFWSA-N 1 0 234.387 3.636 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000841072145 584446649 /nfs/dbraw/zinc/44/66/49/584446649.db2.gz WQRIYRCOEPALEP-ZDUSSCGKSA-N 1 0 234.387 3.636 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccoc2)cc1 ZINC000841891909 587982087 /nfs/dbraw/zinc/98/20/87/587982087.db2.gz WBRYVYNDYXXWNA-UHFFFAOYSA-N 1 0 243.350 3.699 20 0 BHADRO CCCCCC[NH+]1CCC(OC2CCC2)CC1 ZINC000842159085 588005034 /nfs/dbraw/zinc/00/50/34/588005034.db2.gz BPNOWIKDUPSMAL-UHFFFAOYSA-N 1 0 239.403 3.600 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]C/C=C/Cl)cc1 ZINC000842168919 588006162 /nfs/dbraw/zinc/00/61/62/588006162.db2.gz XMUMKLMVIBBRNB-RUDMXATFSA-N 1 0 237.774 3.658 20 0 BHADRO Cc1ccc(CC(C)(C)[NH2+]C/C=C\Cl)cc1 ZINC000842168921 588005060 /nfs/dbraw/zinc/00/50/60/588005060.db2.gz XMUMKLMVIBBRNB-WTKPLQERSA-N 1 0 237.774 3.658 20 0 BHADRO COCC1(CC[NH2+]C2CCCCCCC2)CC1 ZINC000842729317 588056616 /nfs/dbraw/zinc/05/66/16/588056616.db2.gz QANBOVHOGKKKFH-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Fc1cccc(C2([NH2+]Cc3ccoc3)CCC2)c1 ZINC000842743599 588058174 /nfs/dbraw/zinc/05/81/74/588058174.db2.gz HSVHEWKAMCUAGV-UHFFFAOYSA-N 1 0 245.297 3.588 20 0 BHADRO Fc1ccccc1C1(NCc2ccoc2)CCC1 ZINC000842748482 588059040 /nfs/dbraw/zinc/05/90/40/588059040.db2.gz QTRPBQGVOOSRQU-UHFFFAOYSA-N 1 0 245.297 3.588 20 0 BHADRO Cc1ccc(C2([NH2+]Cc3ccoc3)CCC2)cc1 ZINC000842773300 588062444 /nfs/dbraw/zinc/06/24/44/588062444.db2.gz CYKNCLCZVPENCP-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO Cc1cc(C[NH2+]CC2CCC(F)CC2)c(C)o1 ZINC000842779094 588062797 /nfs/dbraw/zinc/06/27/97/588062797.db2.gz RYLXJTMCJGHPII-UHFFFAOYSA-N 1 0 239.334 3.514 20 0 BHADRO CC(C)C[C@H]([NH2+]CCC1CCC1)c1ccncc1 ZINC000842851329 588070191 /nfs/dbraw/zinc/07/01/91/588070191.db2.gz FEBSLSCRVNODQV-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)C[C@@H]([NH2+]CCC1CCC1)c1ccncc1 ZINC000842851331 588070089 /nfs/dbraw/zinc/07/00/89/588070089.db2.gz FEBSLSCRVNODQV-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000842857977 588070565 /nfs/dbraw/zinc/07/05/65/588070565.db2.gz MVOCRGHNNQXWKU-IAZYJMLFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+]C1CCC(F)(F)CC1 ZINC000842857978 588070417 /nfs/dbraw/zinc/07/04/17/588070417.db2.gz MVOCRGHNNQXWKU-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC[C@H](C)C1[NH2+]C1CCC(F)(F)CC1 ZINC000842857979 588070543 /nfs/dbraw/zinc/07/05/43/588070543.db2.gz MVOCRGHNNQXWKU-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccncc1 ZINC000842868730 645255090 /nfs/dbraw/zinc/25/50/90/645255090.db2.gz PGNHPRMOIGIDAQ-BMFZPTHFSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccncc1 ZINC000842868731 645255653 /nfs/dbraw/zinc/25/56/53/645255653.db2.gz PGNHPRMOIGIDAQ-BPUTZDHNSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccncc1 ZINC000842868732 645255398 /nfs/dbraw/zinc/25/53/98/645255398.db2.gz PGNHPRMOIGIDAQ-IMJJTQAJSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccncc1 ZINC000842868733 645254911 /nfs/dbraw/zinc/25/49/11/645254911.db2.gz PGNHPRMOIGIDAQ-KBMXLJTQSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1 ZINC000842870476 645255646 /nfs/dbraw/zinc/25/56/46/645255646.db2.gz CMEHLJQFRWIGDB-CABCVRRESA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1 ZINC000842870477 645255080 /nfs/dbraw/zinc/25/50/80/645255080.db2.gz CMEHLJQFRWIGDB-GJZGRUSLSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1 ZINC000842870478 645255463 /nfs/dbraw/zinc/25/54/63/645255463.db2.gz CMEHLJQFRWIGDB-HUUCEWRRSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1 ZINC000842870479 645254853 /nfs/dbraw/zinc/25/48/53/645254853.db2.gz CMEHLJQFRWIGDB-LSDHHAIUSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2Cl)CC1 ZINC000842886028 588070887 /nfs/dbraw/zinc/07/08/87/588070887.db2.gz GMLUBVBAUPEPFF-GWCFXTLKSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2ccccc2Cl)CC1 ZINC000842886032 588071172 /nfs/dbraw/zinc/07/11/72/588071172.db2.gz GMLUBVBAUPEPFF-GXFFZTMASA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2ccccc2Cl)CC1 ZINC000842886033 588071121 /nfs/dbraw/zinc/07/11/21/588071121.db2.gz GMLUBVBAUPEPFF-MFKMUULPSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2ccccc2Cl)CC1 ZINC000842886034 588070867 /nfs/dbraw/zinc/07/08/67/588070867.db2.gz GMLUBVBAUPEPFF-ZWNOBZJWSA-N 1 0 235.758 3.717 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000842901301 588071466 /nfs/dbraw/zinc/07/14/66/588071466.db2.gz JVLPMTNSHNQJDE-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000842901302 588071524 /nfs/dbraw/zinc/07/15/24/588071524.db2.gz JVLPMTNSHNQJDE-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000842901303 588071518 /nfs/dbraw/zinc/07/15/18/588071518.db2.gz JVLPMTNSHNQJDE-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000842901304 588071459 /nfs/dbraw/zinc/07/14/59/588071459.db2.gz JVLPMTNSHNQJDE-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000842902546 588071553 /nfs/dbraw/zinc/07/15/53/588071553.db2.gz SMCCBTKHAUREEF-QBPKDAKJSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000842902556 588071610 /nfs/dbraw/zinc/07/16/10/588071610.db2.gz SMCCBTKHAUREEF-TWMKSMIVSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000842902563 588071685 /nfs/dbraw/zinc/07/16/85/588071685.db2.gz SMCCBTKHAUREEF-VQHPVUNQSA-N 1 0 241.378 3.568 20 0 BHADRO c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000842902571 588071423 /nfs/dbraw/zinc/07/14/23/588071423.db2.gz SMCCBTKHAUREEF-YYIAUSFCSA-N 1 0 241.378 3.568 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000842905179 585078411 /nfs/dbraw/zinc/07/84/11/585078411.db2.gz IAVOTHQRSXELDC-BXUZGUMPSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000842905180 585078510 /nfs/dbraw/zinc/07/85/10/585078510.db2.gz IAVOTHQRSXELDC-FZMZJTMJSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000842905181 585078584 /nfs/dbraw/zinc/07/85/84/585078584.db2.gz IAVOTHQRSXELDC-RISCZKNCSA-N 1 0 233.330 3.593 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000842905182 585078626 /nfs/dbraw/zinc/07/86/26/585078626.db2.gz IAVOTHQRSXELDC-SMDDNHRTSA-N 1 0 233.330 3.593 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000842928777 588071802 /nfs/dbraw/zinc/07/18/02/588071802.db2.gz KSATZRPWIICGHB-CLRIEMFWSA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000842928847 588072113 /nfs/dbraw/zinc/07/21/13/588072113.db2.gz KSATZRPWIICGHB-HOAMVYINSA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000842928849 588071795 /nfs/dbraw/zinc/07/17/95/588071795.db2.gz KSATZRPWIICGHB-NWINJMCUSA-N 1 0 227.367 3.539 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000842928850 588072172 /nfs/dbraw/zinc/07/21/72/588072172.db2.gz KSATZRPWIICGHB-PQAZSJQKSA-N 1 0 227.367 3.539 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842930394 588071947 /nfs/dbraw/zinc/07/19/47/588071947.db2.gz UBTSFBAUJYGPQA-FDYHWXHSSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842930400 588071853 /nfs/dbraw/zinc/07/18/53/588071853.db2.gz UBTSFBAUJYGPQA-MROQNXINSA-N 1 0 241.444 3.685 20 0 BHADRO CC[C@H]1C[C@@H](C[N@H+](C)CCC(C)(C)C)CCO1 ZINC000843425154 588108268 /nfs/dbraw/zinc/10/82/68/588108268.db2.gz GERZDOFFGZSWAT-KBPBESRZSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@H]1C[C@H](C[N@H+](C)CCC(C)(C)C)CCO1 ZINC000843425155 588108275 /nfs/dbraw/zinc/10/82/75/588108275.db2.gz GERZDOFFGZSWAT-KGLIPLIRSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H]1C[C@@H](C[N@H+](C)CCC(C)(C)C)CCO1 ZINC000843425156 588108270 /nfs/dbraw/zinc/10/82/70/588108270.db2.gz GERZDOFFGZSWAT-UONOGXRCSA-N 1 0 241.419 3.560 20 0 BHADRO CC[C@@H]1C[C@H](C[N@H+](C)CCC(C)(C)C)CCO1 ZINC000843425157 588108243 /nfs/dbraw/zinc/10/82/43/588108243.db2.gz GERZDOFFGZSWAT-ZIAGYGMSSA-N 1 0 241.419 3.560 20 0 BHADRO COc1cccc2cc(C[N@H+](C)C(C)(C)C)oc21 ZINC000843430615 588108925 /nfs/dbraw/zinc/10/89/25/588108925.db2.gz BJUROFGYNHRWNT-UHFFFAOYSA-N 1 0 247.338 3.672 20 0 BHADRO C[N@H+](Cc1ccnc(Cl)c1Cl)C(C)(C)C ZINC000843432685 588109412 /nfs/dbraw/zinc/10/94/12/588109412.db2.gz HOLGPNRYAQVCSD-UHFFFAOYSA-N 1 0 247.169 3.619 20 0 BHADRO CC[N@H+](CCSC)Cc1cc(Cl)cs1 ZINC000843437341 588110133 /nfs/dbraw/zinc/11/01/33/588110133.db2.gz CNAMMXBZVKDNMD-UHFFFAOYSA-N 1 0 249.832 3.586 20 0 BHADRO C[NH+](C)Cc1cccc(-c2cccc(CF)c2)c1 ZINC000844229115 588174640 /nfs/dbraw/zinc/17/46/40/588174640.db2.gz NULOSTKKKLYWJD-UHFFFAOYSA-N 1 0 243.325 3.885 20 0 BHADRO ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC12CCCC2 ZINC000844355700 588187269 /nfs/dbraw/zinc/18/72/69/588187269.db2.gz BOKKXBZBSMMKAR-JTQLQIEISA-N 1 0 248.197 3.589 20 0 BHADRO ClC1(Cl)C[C@H]1CC[N@@H+]1CCC12CCCC2 ZINC000844355725 588187407 /nfs/dbraw/zinc/18/74/07/588187407.db2.gz BOKKXBZBSMMKAR-SNVBAGLBSA-N 1 0 248.197 3.589 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC12CCCC2 ZINC000844359309 588187199 /nfs/dbraw/zinc/18/71/99/588187199.db2.gz JAVCKCAJYMDGJR-UHFFFAOYSA-N 1 0 227.417 3.537 20 0 BHADRO C[C@@]1(C[N@@H+]2CCC23CCCC3)CC1(Cl)Cl ZINC000844360213 645322914 /nfs/dbraw/zinc/32/29/14/645322914.db2.gz PANQLHIJVJMHSQ-JTQLQIEISA-N 1 0 248.197 3.589 20 0 BHADRO C[C@]1(C[N@@H+]2CCC23CCCC3)CC1(Cl)Cl ZINC000844360215 645321663 /nfs/dbraw/zinc/32/16/63/645321663.db2.gz PANQLHIJVJMHSQ-SNVBAGLBSA-N 1 0 248.197 3.589 20 0 BHADRO FCc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000844361408 588187806 /nfs/dbraw/zinc/18/78/06/588187806.db2.gz ZWTCPMUVLWUQJK-UHFFFAOYSA-N 1 0 233.330 3.675 20 0 BHADRO CC[C@H]([NH2+]C/C=C\Cl)c1ccccc1F ZINC000844397149 588189738 /nfs/dbraw/zinc/18/97/38/588189738.db2.gz UBCWOXFYBOZMBI-JECSTDCCSA-N 1 0 227.710 3.619 20 0 BHADRO CC[C@H]([NH2+]C/C=C/Cl)c1ccccc1F ZINC000844397150 588189389 /nfs/dbraw/zinc/18/93/89/588189389.db2.gz UBCWOXFYBOZMBI-ZCRIDZFUSA-N 1 0 227.710 3.619 20 0 BHADRO CCCCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000844409191 588190088 /nfs/dbraw/zinc/19/00/88/588190088.db2.gz LOAPQTSXRBHBTG-UHFFFAOYSA-N 1 0 231.330 3.688 20 0 BHADRO c1ccc2c(c1)CC[C@H]2C[NH2+]C1(C2CCC2)CC1 ZINC000844416841 588191305 /nfs/dbraw/zinc/19/13/05/588191305.db2.gz DEHOSYINIYQBAI-AWEZNQCLSA-N 1 0 241.378 3.639 20 0 BHADRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1(C2CCC2)CC1 ZINC000844416842 588191300 /nfs/dbraw/zinc/19/13/00/588191300.db2.gz DEHOSYINIYQBAI-CQSZACIVSA-N 1 0 241.378 3.639 20 0 BHADRO FCc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000844417225 645327629 /nfs/dbraw/zinc/32/76/29/645327629.db2.gz HVNUZALOCMZVOU-UHFFFAOYSA-N 1 0 233.330 3.578 20 0 BHADRO FC1(F)C[C@@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000844433977 588192090 /nfs/dbraw/zinc/19/20/90/588192090.db2.gz IHXMNVLRFICRER-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000844433979 588192351 /nfs/dbraw/zinc/19/23/51/588192351.db2.gz IHXMNVLRFICRER-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436530 588193185 /nfs/dbraw/zinc/19/31/85/588193185.db2.gz INYYLZVAQBJEMS-GFCCVEGCSA-N 1 0 231.330 3.688 20 0 BHADRO CCCCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436532 588192754 /nfs/dbraw/zinc/19/27/54/588192754.db2.gz INYYLZVAQBJEMS-LBPRGKRZSA-N 1 0 231.330 3.688 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438473 588192758 /nfs/dbraw/zinc/19/27/58/588192758.db2.gz DEKUDBQZQALBBL-CYBMUJFWSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)(C)CCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438484 645330108 /nfs/dbraw/zinc/33/01/08/645330108.db2.gz DEKUDBQZQALBBL-ZDUSSCGKSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439060 588193837 /nfs/dbraw/zinc/19/38/37/588193837.db2.gz MTUZZWXNAVZCAB-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)(C)CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439062 588194014 /nfs/dbraw/zinc/19/40/14/588194014.db2.gz MTUZZWXNAVZCAB-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO FC1(F)C[C@@]12CCC[N@H+](CCC1CCCC1)C2 ZINC000844439135 588193634 /nfs/dbraw/zinc/19/36/34/588193634.db2.gz NGROGTUZLACVFB-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CCC[N@H+](CCC1CCCC1)C2 ZINC000844439137 588193559 /nfs/dbraw/zinc/19/35/59/588193559.db2.gz NGROGTUZLACVFB-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439623 588193761 /nfs/dbraw/zinc/19/37/61/588193761.db2.gz PJARKCKOCCSYHZ-CYBMUJFWSA-N 1 0 245.357 3.934 20 0 BHADRO CCC(C)(C)CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439626 588194029 /nfs/dbraw/zinc/19/40/29/588194029.db2.gz PJARKCKOCCSYHZ-ZDUSSCGKSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440094 588193976 /nfs/dbraw/zinc/19/39/76/588193976.db2.gz BFJTUAKZDSVDIR-CHWSQXEVSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440095 645329897 /nfs/dbraw/zinc/32/98/97/645329897.db2.gz BFJTUAKZDSVDIR-OLZOCXBDSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440097 645330209 /nfs/dbraw/zinc/33/02/09/645330209.db2.gz BFJTUAKZDSVDIR-QWHCGFSZSA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440099 645330904 /nfs/dbraw/zinc/33/09/04/645330904.db2.gz BFJTUAKZDSVDIR-STQMWFEESA-N 1 0 245.357 3.790 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441725 588194097 /nfs/dbraw/zinc/19/40/97/588194097.db2.gz RMIMIESICPHEGB-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)CCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441726 588193746 /nfs/dbraw/zinc/19/37/46/588193746.db2.gz RMIMIESICPHEGB-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844445348 645334517 /nfs/dbraw/zinc/33/45/17/645334517.db2.gz XZTVESOAHBADPV-NEPJUHHUSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445351 645334434 /nfs/dbraw/zinc/33/44/34/645334434.db2.gz XZTVESOAHBADPV-NWDGAFQWSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844445352 645334698 /nfs/dbraw/zinc/33/46/98/645334698.db2.gz XZTVESOAHBADPV-RYUDHWBXSA-N 1 0 231.330 3.542 20 0 BHADRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445353 645334338 /nfs/dbraw/zinc/33/43/38/645334338.db2.gz XZTVESOAHBADPV-VXGBXAGGSA-N 1 0 231.330 3.542 20 0 BHADRO Cc1cc[nH+]c(NCC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000845648634 645376523 /nfs/dbraw/zinc/37/65/23/645376523.db2.gz CASIDPTZQAFLBK-NEPJUHHUSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cc[nH+]c(NCC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000845648637 645377083 /nfs/dbraw/zinc/37/70/83/645377083.db2.gz CASIDPTZQAFLBK-NWDGAFQWSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cc[nH+]c(NCC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000845648639 645376103 /nfs/dbraw/zinc/37/61/03/645376103.db2.gz CASIDPTZQAFLBK-RYUDHWBXSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cc[nH+]c(NCC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000845648640 645377098 /nfs/dbraw/zinc/37/70/98/645377098.db2.gz CASIDPTZQAFLBK-VXGBXAGGSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cccc(NCC[C@]2(C)C[C@@]2(F)Cl)[nH+]1 ZINC000845652092 588239802 /nfs/dbraw/zinc/23/98/02/588239802.db2.gz PODAKUIZYPSMDA-NEPJUHHUSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cccc(NCC[C@@]2(C)C[C@]2(F)Cl)[nH+]1 ZINC000845652093 588239786 /nfs/dbraw/zinc/23/97/86/588239786.db2.gz PODAKUIZYPSMDA-NWDGAFQWSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cccc(NCC[C@@]2(C)C[C@@]2(F)Cl)[nH+]1 ZINC000845652094 588239707 /nfs/dbraw/zinc/23/97/07/588239707.db2.gz PODAKUIZYPSMDA-RYUDHWBXSA-N 1 0 242.725 3.507 20 0 BHADRO Cc1cccc(NCC[C@]2(C)C[C@]2(F)Cl)[nH+]1 ZINC000845652095 588239753 /nfs/dbraw/zinc/23/97/53/588239753.db2.gz PODAKUIZYPSMDA-VXGBXAGGSA-N 1 0 242.725 3.507 20 0 BHADRO c1c2cnccc2oc1C[NH+]1CCCCCCC1 ZINC000845902181 588249910 /nfs/dbraw/zinc/24/99/10/588249910.db2.gz BINHIPGGOGEZEV-UHFFFAOYSA-N 1 0 244.338 3.594 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000845922675 588250559 /nfs/dbraw/zinc/25/05/59/588250559.db2.gz ZWOPBBBSTXTFCP-GFCCVEGCSA-N 1 0 246.354 3.886 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000845922676 588250595 /nfs/dbraw/zinc/25/05/95/588250595.db2.gz ZWOPBBBSTXTFCP-LBPRGKRZSA-N 1 0 246.354 3.886 20 0 BHADRO C[C@H](C[NH2+]Cc1cc2cnccc2o1)C(C)(C)C ZINC000845937148 588250852 /nfs/dbraw/zinc/25/08/52/588250852.db2.gz MIGNHFOGTGVWLM-LLVKDONJSA-N 1 0 246.354 3.600 20 0 BHADRO C[C@@H](C[NH2+]Cc1cc2cnccc2o1)C(C)(C)C ZINC000845937149 588250709 /nfs/dbraw/zinc/25/07/09/588250709.db2.gz MIGNHFOGTGVWLM-NSHDSACASA-N 1 0 246.354 3.600 20 0 BHADRO CCc1cccc(C[NH2+]Cc2cc(C)oc2C)c1 ZINC000845937510 588251079 /nfs/dbraw/zinc/25/10/79/588251079.db2.gz ONEWHHSCGDTZPW-UHFFFAOYSA-N 1 0 243.350 3.749 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)c(Cl)c1 ZINC000845947903 588251252 /nfs/dbraw/zinc/25/12/52/588251252.db2.gz QIZBSRMMSSFKDY-LLVKDONJSA-N 1 0 248.757 3.827 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)c(Cl)c1 ZINC000845947904 588251136 /nfs/dbraw/zinc/25/11/36/588251136.db2.gz QIZBSRMMSSFKDY-NSHDSACASA-N 1 0 248.757 3.827 20 0 BHADRO CCC1(CC)CCC([NH2+]C(CF)CF)CC1 ZINC000845980661 588252721 /nfs/dbraw/zinc/25/27/21/588252721.db2.gz QHTUBOVVTIFQHV-UHFFFAOYSA-N 1 0 233.346 3.633 20 0 BHADRO Cc1ccccc1C1([NH2+]Cc2ccoc2)CCC1 ZINC000845995637 588252951 /nfs/dbraw/zinc/25/29/51/588252951.db2.gz XNMDGJDIAMEYHC-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000845996917 588252844 /nfs/dbraw/zinc/25/28/44/588252844.db2.gz HGHAWQOCSRIUMD-GWCFXTLKSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000845996922 588252755 /nfs/dbraw/zinc/25/27/55/588252755.db2.gz HGHAWQOCSRIUMD-GXFFZTMASA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000845996923 588252898 /nfs/dbraw/zinc/25/28/98/588252898.db2.gz HGHAWQOCSRIUMD-MFKMUULPSA-N 1 0 231.364 3.789 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000845996925 588252948 /nfs/dbraw/zinc/25/29/48/588252948.db2.gz HGHAWQOCSRIUMD-ZWNOBZJWSA-N 1 0 231.364 3.789 20 0 BHADRO Clc1csc(C[N@@H+]2CCC23CCCC3)c1 ZINC000845998294 588253046 /nfs/dbraw/zinc/25/30/46/588253046.db2.gz BIXIIGXKMQAOPO-UHFFFAOYSA-N 1 0 241.787 3.920 20 0 BHADRO CC[C@H](OCC[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000846020496 588253811 /nfs/dbraw/zinc/25/38/11/588253811.db2.gz JBIHDGOUNPREDP-BMFZPTHFSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000846020497 588253786 /nfs/dbraw/zinc/25/37/86/588253786.db2.gz JBIHDGOUNPREDP-BPUTZDHNSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000846020498 588253670 /nfs/dbraw/zinc/25/36/70/588253670.db2.gz JBIHDGOUNPREDP-IMJJTQAJSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@H](OCC[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000846020499 588253613 /nfs/dbraw/zinc/25/36/13/588253613.db2.gz JBIHDGOUNPREDP-KBMXLJTQSA-N 1 0 247.382 3.542 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000846025262 588254021 /nfs/dbraw/zinc/25/40/21/588254021.db2.gz IBAILVPGIYKLJG-LTIDMASMSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000846025264 588254062 /nfs/dbraw/zinc/25/40/62/588254062.db2.gz IBAILVPGIYKLJG-LUKYLMHMSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000846025266 588253886 /nfs/dbraw/zinc/25/38/86/588253886.db2.gz IBAILVPGIYKLJG-MWDXBVQZSA-N 1 0 241.378 3.629 20 0 BHADRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000846025268 588253956 /nfs/dbraw/zinc/25/39/56/588253956.db2.gz IBAILVPGIYKLJG-YYIAUSFCSA-N 1 0 241.378 3.629 20 0 BHADRO C[C@]1(CC[NH2+]C2CC3(CCC3)C2)C[C@@]1(F)Cl ZINC000846029689 588253996 /nfs/dbraw/zinc/25/39/96/588253996.db2.gz MDDGETFUBNNMGB-AAEUAGOBSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@@]1(CC[NH2+]C2CC3(CCC3)C2)C[C@]1(F)Cl ZINC000846029690 588253921 /nfs/dbraw/zinc/25/39/21/588253921.db2.gz MDDGETFUBNNMGB-DGCLKSJQSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+]C2CC3(CCC3)C2)C[C@]1(F)Cl ZINC000846029691 588253985 /nfs/dbraw/zinc/25/39/85/588253985.db2.gz MDDGETFUBNNMGB-WCQYABFASA-N 1 0 245.769 3.613 20 0 BHADRO C[C@@]1(CC[NH2+]C2CC3(CCC3)C2)C[C@@]1(F)Cl ZINC000846029692 588254016 /nfs/dbraw/zinc/25/40/16/588254016.db2.gz MDDGETFUBNNMGB-YPMHNXCESA-N 1 0 245.769 3.613 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C1CCC1 ZINC000846030155 588254028 /nfs/dbraw/zinc/25/40/28/588254028.db2.gz QHYUQBQKDOKAOE-AVGNSLFASA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C1CCC1 ZINC000846030159 588254003 /nfs/dbraw/zinc/25/40/03/588254003.db2.gz QHYUQBQKDOKAOE-RWMBFGLXSA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C1CCC1 ZINC000846030160 588254069 /nfs/dbraw/zinc/25/40/69/588254069.db2.gz QHYUQBQKDOKAOE-XQQFMLRXSA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C1CCC1 ZINC000846030162 588254218 /nfs/dbraw/zinc/25/42/18/588254218.db2.gz QHYUQBQKDOKAOE-YNEHKIRRSA-N 1 0 247.785 3.859 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846031168 588254208 /nfs/dbraw/zinc/25/42/08/588254208.db2.gz HBJZOMSRAVRCNT-NEPJUHHUSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846031169 588254229 /nfs/dbraw/zinc/25/42/29/588254229.db2.gz HBJZOMSRAVRCNT-NWDGAFQWSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846031170 588254151 /nfs/dbraw/zinc/25/41/51/588254151.db2.gz HBJZOMSRAVRCNT-RYUDHWBXSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)(C)CC[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846031171 588254292 /nfs/dbraw/zinc/25/42/92/588254292.db2.gz HBJZOMSRAVRCNT-VXGBXAGGSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)CCC[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846031816 588254113 /nfs/dbraw/zinc/25/41/13/588254113.db2.gz JQWCNFJWQFSIKD-NEPJUHHUSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)CCC[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846031817 588254240 /nfs/dbraw/zinc/25/42/40/588254240.db2.gz JQWCNFJWQFSIKD-NWDGAFQWSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)CCC[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846031818 588254237 /nfs/dbraw/zinc/25/42/37/588254237.db2.gz JQWCNFJWQFSIKD-RYUDHWBXSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)CCC[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846031819 588254124 /nfs/dbraw/zinc/25/41/24/588254124.db2.gz JQWCNFJWQFSIKD-VXGBXAGGSA-N 1 0 235.774 3.717 20 0 BHADRO C[C@@]1(CC[NH2+]Cc2cccs2)C[C@]1(F)Cl ZINC000846031918 582643028 /nfs/dbraw/zinc/64/30/28/582643028.db2.gz DCEJJVDDAGHYPL-GHMZBOCLSA-N 1 0 247.766 3.542 20 0 BHADRO C[C@@]1(CC[NH2+]Cc2cccs2)C[C@@]1(F)Cl ZINC000846031925 582643229 /nfs/dbraw/zinc/64/32/29/582643229.db2.gz DCEJJVDDAGHYPL-MNOVXSKESA-N 1 0 247.766 3.542 20 0 BHADRO C[C@]1(CC[NH2+]Cc2cccs2)C[C@@]1(F)Cl ZINC000846031942 582642922 /nfs/dbraw/zinc/64/29/22/582642922.db2.gz DCEJJVDDAGHYPL-QWRGUYRKSA-N 1 0 247.766 3.542 20 0 BHADRO C[C@]1(CC[NH2+]Cc2cccs2)C[C@]1(F)Cl ZINC000846031951 582643388 /nfs/dbraw/zinc/64/33/88/582643388.db2.gz DCEJJVDDAGHYPL-WDEREUQCSA-N 1 0 247.766 3.542 20 0 BHADRO CC1CCC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846032478 588254259 /nfs/dbraw/zinc/25/42/59/588254259.db2.gz AGNUPFGBBSATEW-FIYWTHMPSA-N 1 0 247.785 3.859 20 0 BHADRO CC1CCC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846032481 588254133 /nfs/dbraw/zinc/25/41/33/588254133.db2.gz AGNUPFGBBSATEW-IFWUJCSASA-N 1 0 247.785 3.859 20 0 BHADRO CC1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846032484 588254267 /nfs/dbraw/zinc/25/42/67/588254267.db2.gz AGNUPFGBBSATEW-TUUUFIMRSA-N 1 0 247.785 3.859 20 0 BHADRO CC1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846032485 588254283 /nfs/dbraw/zinc/25/42/83/588254283.db2.gz AGNUPFGBBSATEW-TYUFSLCMSA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846033297 588254284 /nfs/dbraw/zinc/25/42/84/588254284.db2.gz OPLMGFMESFCMEY-BJDJZHNGSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846033300 588254304 /nfs/dbraw/zinc/25/43/04/588254304.db2.gz OPLMGFMESFCMEY-FIQHERPVSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846033302 588254243 /nfs/dbraw/zinc/25/42/43/588254243.db2.gz OPLMGFMESFCMEY-NNYUYHANSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846033305 588254125 /nfs/dbraw/zinc/25/41/25/588254125.db2.gz OPLMGFMESFCMEY-YFKTTZPYSA-N 1 0 235.774 3.715 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCC(C)(C)C2)C[C@]1(F)Cl ZINC000846033778 588254173 /nfs/dbraw/zinc/25/41/73/588254173.db2.gz PNRRRXGKNQUWJS-CYZMBNFOSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC(C)(C)C2)C[C@@]1(F)Cl ZINC000846033779 588254266 /nfs/dbraw/zinc/25/42/66/588254266.db2.gz PNRRRXGKNQUWJS-DRZSPHRISA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCC(C)(C)C2)C[C@@]1(F)Cl ZINC000846033780 588254104 /nfs/dbraw/zinc/25/41/04/588254104.db2.gz PNRRRXGKNQUWJS-UHTWSYAYSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC(C)(C)C2)C[C@]1(F)Cl ZINC000846033781 588254135 /nfs/dbraw/zinc/25/41/35/588254135.db2.gz PNRRRXGKNQUWJS-WCFLWFBJSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+]C[C@@H]2CC=CCC2)C[C@@]1(F)Cl ZINC000846034094 588254391 /nfs/dbraw/zinc/25/43/91/588254391.db2.gz DYEGNAUCBXYKOR-AGIUHOORSA-N 1 0 245.769 3.637 20 0 BHADRO C[C@]1(CC[NH2+]C[C@H]2CC=CCC2)C[C@@]1(F)Cl ZINC000846034096 588254309 /nfs/dbraw/zinc/25/43/09/588254309.db2.gz DYEGNAUCBXYKOR-AVGNSLFASA-N 1 0 245.769 3.637 20 0 BHADRO C[C@]1(CC[NH2+]C[C@@H]2CC=CCC2)C[C@]1(F)Cl ZINC000846034097 588254252 /nfs/dbraw/zinc/25/42/52/588254252.db2.gz DYEGNAUCBXYKOR-FRRDWIJNSA-N 1 0 245.769 3.637 20 0 BHADRO C[C@]1(CC[NH2+]C[C@H]2CC=CCC2)C[C@]1(F)Cl ZINC000846034099 588254338 /nfs/dbraw/zinc/25/43/38/588254338.db2.gz DYEGNAUCBXYKOR-RWMBFGLXSA-N 1 0 245.769 3.637 20 0 BHADRO C[C@@]1(CC[NH2+]C2CCCCC2)C[C@@]1(F)Cl ZINC000846034137 588254371 /nfs/dbraw/zinc/25/43/71/588254371.db2.gz FHGKTSBAZQKIAE-NEPJUHHUSA-N 1 0 233.758 3.613 20 0 BHADRO C[C@]1(CC[NH2+]C2CCCCC2)C[C@]1(F)Cl ZINC000846034139 588254420 /nfs/dbraw/zinc/25/44/20/588254420.db2.gz FHGKTSBAZQKIAE-NWDGAFQWSA-N 1 0 233.758 3.613 20 0 BHADRO C[C@]1(CC[NH2+]C2CCCCC2)C[C@@]1(F)Cl ZINC000846034140 588254364 /nfs/dbraw/zinc/25/43/64/588254364.db2.gz FHGKTSBAZQKIAE-RYUDHWBXSA-N 1 0 233.758 3.613 20 0 BHADRO C[C@@]1(CC[NH2+]C2CCCCC2)C[C@]1(F)Cl ZINC000846034142 588254397 /nfs/dbraw/zinc/25/43/97/588254397.db2.gz FHGKTSBAZQKIAE-VXGBXAGGSA-N 1 0 233.758 3.613 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C1CCCC1 ZINC000846034407 588254402 /nfs/dbraw/zinc/25/44/02/588254402.db2.gz IKDIHBUSTBANDJ-CYZMBNFOSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C1CCCC1 ZINC000846034410 588254384 /nfs/dbraw/zinc/25/43/84/588254384.db2.gz IKDIHBUSTBANDJ-DRZSPHRISA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C1CCCC1 ZINC000846034412 588254114 /nfs/dbraw/zinc/25/41/14/588254114.db2.gz IKDIHBUSTBANDJ-UHTWSYAYSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C1CCCC1 ZINC000846034414 582643151 /nfs/dbraw/zinc/64/31/51/582643151.db2.gz IKDIHBUSTBANDJ-WCFLWFBJSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)[C@@H]1CC1(C)C ZINC000846035024 588254386 /nfs/dbraw/zinc/25/43/86/588254386.db2.gz IPPGWMJAZQKFMV-DJIHRAIXSA-N 1 0 247.785 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@H]1CC1(C)C ZINC000846035027 588254318 /nfs/dbraw/zinc/25/43/18/588254318.db2.gz IPPGWMJAZQKFMV-XKAARJIMSA-N 1 0 247.785 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)[C@H]1CC1(C)C ZINC000846035029 582643238 /nfs/dbraw/zinc/64/32/38/582643238.db2.gz IPPGWMJAZQKFMV-YGNMPJRFSA-N 1 0 247.785 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@@H]1CC1(C)C ZINC000846035031 582643092 /nfs/dbraw/zinc/64/30/92/582643092.db2.gz IPPGWMJAZQKFMV-YRRQLQLVSA-N 1 0 247.785 3.715 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846035229 588254518 /nfs/dbraw/zinc/25/45/18/588254518.db2.gz TVAVOVSGMJKAMO-QJPTWQEYSA-N 1 0 235.774 3.859 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846035230 588254499 /nfs/dbraw/zinc/25/44/99/588254499.db2.gz TVAVOVSGMJKAMO-SDDRHHMPSA-N 1 0 235.774 3.859 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846035231 588254319 /nfs/dbraw/zinc/25/43/19/588254319.db2.gz TVAVOVSGMJKAMO-SRVKXCTJSA-N 1 0 235.774 3.859 20 0 BHADRO CCC[C@H](CC)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846035232 588254422 /nfs/dbraw/zinc/25/44/22/588254422.db2.gz TVAVOVSGMJKAMO-TUAOUCFPSA-N 1 0 235.774 3.859 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846035782 588254306 /nfs/dbraw/zinc/25/43/06/588254306.db2.gz UWNYSWIGFNCOFW-QJPTWQEYSA-N 1 0 235.774 3.859 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846035786 588254537 /nfs/dbraw/zinc/25/45/37/588254537.db2.gz UWNYSWIGFNCOFW-SDDRHHMPSA-N 1 0 235.774 3.859 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846035790 588254467 /nfs/dbraw/zinc/25/44/67/588254467.db2.gz UWNYSWIGFNCOFW-SRVKXCTJSA-N 1 0 235.774 3.859 20 0 BHADRO CCCC[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846035792 588254450 /nfs/dbraw/zinc/25/44/50/588254450.db2.gz UWNYSWIGFNCOFW-TUAOUCFPSA-N 1 0 235.774 3.859 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846035914 588254471 /nfs/dbraw/zinc/25/44/71/588254471.db2.gz KLJAIAGSNXJJAA-CYDGBPFRSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846035917 588254510 /nfs/dbraw/zinc/25/45/10/588254510.db2.gz KLJAIAGSNXJJAA-RVMXOQNASA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846035919 582642976 /nfs/dbraw/zinc/64/29/76/582642976.db2.gz KLJAIAGSNXJJAA-WUHRBBMRSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846035924 582643215 /nfs/dbraw/zinc/64/32/15/582643215.db2.gz KLJAIAGSNXJJAA-ZDEQEGDKSA-N 1 0 247.785 3.715 20 0 BHADRO C[C@@]1(CC[NH2+]CC2CCCCC2)C[C@]1(F)Cl ZINC000846036290 588254367 /nfs/dbraw/zinc/25/43/67/588254367.db2.gz JEIZUZJXFUKZRC-CHWSQXEVSA-N 1 0 247.785 3.861 20 0 BHADRO C[C@@]1(CC[NH2+]CC2CCCCC2)C[C@@]1(F)Cl ZINC000846036291 588254502 /nfs/dbraw/zinc/25/45/02/588254502.db2.gz JEIZUZJXFUKZRC-OLZOCXBDSA-N 1 0 247.785 3.861 20 0 BHADRO C[C@]1(CC[NH2+]CC2CCCCC2)C[C@]1(F)Cl ZINC000846036292 588254337 /nfs/dbraw/zinc/25/43/37/588254337.db2.gz JEIZUZJXFUKZRC-QWHCGFSZSA-N 1 0 247.785 3.861 20 0 BHADRO C[C@]1(CC[NH2+]CC2CCCCC2)C[C@@]1(F)Cl ZINC000846036293 588254354 /nfs/dbraw/zinc/25/43/54/588254354.db2.gz JEIZUZJXFUKZRC-STQMWFEESA-N 1 0 247.785 3.861 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC2(C)C)C[C@]1(F)Cl ZINC000846036377 588254365 /nfs/dbraw/zinc/25/43/65/588254365.db2.gz KCRMMWFCAZTURW-CYZMBNFOSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC2(C)C)C[C@@]1(F)Cl ZINC000846036380 588254538 /nfs/dbraw/zinc/25/45/38/588254538.db2.gz KCRMMWFCAZTURW-DRZSPHRISA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC2(C)C)C[C@@]1(F)Cl ZINC000846036383 588254511 /nfs/dbraw/zinc/25/45/11/588254511.db2.gz KCRMMWFCAZTURW-UHTWSYAYSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC2(C)C)C[C@]1(F)Cl ZINC000846036385 588254385 /nfs/dbraw/zinc/25/43/85/588254385.db2.gz KCRMMWFCAZTURW-WCFLWFBJSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@]1(CC[NH2+]Cc2ccsc2)C[C@]1(F)Cl ZINC000846036494 588254464 /nfs/dbraw/zinc/25/44/64/588254464.db2.gz LVNFDNLJECGEOU-GHMZBOCLSA-N 1 0 247.766 3.542 20 0 BHADRO C[C@@]1(CC[NH2+]Cc2ccsc2)C[C@@]1(F)Cl ZINC000846036496 588254388 /nfs/dbraw/zinc/25/43/88/588254388.db2.gz LVNFDNLJECGEOU-MNOVXSKESA-N 1 0 247.766 3.542 20 0 BHADRO C[C@]1(CC[NH2+]Cc2ccsc2)C[C@@]1(F)Cl ZINC000846036498 588254308 /nfs/dbraw/zinc/25/43/08/588254308.db2.gz LVNFDNLJECGEOU-QWRGUYRKSA-N 1 0 247.766 3.542 20 0 BHADRO C[C@]1(CC[NH2+]Cc2ccsc2)C[C@]1(F)Cl ZINC000846036500 588254442 /nfs/dbraw/zinc/25/44/42/588254442.db2.gz LVNFDNLJECGEOU-WDEREUQCSA-N 1 0 247.766 3.542 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846037030 588254496 /nfs/dbraw/zinc/25/44/96/588254496.db2.gz YKKAKZCPSMTHAG-KGYLQXTDSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846037032 588254453 /nfs/dbraw/zinc/25/44/53/588254453.db2.gz YKKAKZCPSMTHAG-RAIGVLPGSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846037034 588254387 /nfs/dbraw/zinc/25/43/87/588254387.db2.gz YKKAKZCPSMTHAG-RTXFEEFZSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846037036 588254485 /nfs/dbraw/zinc/25/44/85/588254485.db2.gz YKKAKZCPSMTHAG-WXHSDQCUSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846037610 645389367 /nfs/dbraw/zinc/38/93/67/645389367.db2.gz ZRVKMAZHSGVIME-KGYLQXTDSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846037611 645389757 /nfs/dbraw/zinc/38/97/57/645389757.db2.gz ZRVKMAZHSGVIME-RAIGVLPGSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846037612 582643122 /nfs/dbraw/zinc/64/31/22/582643122.db2.gz ZRVKMAZHSGVIME-RTXFEEFZSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@H](CC1CCC1)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846037617 582642884 /nfs/dbraw/zinc/64/28/84/582642884.db2.gz ZRVKMAZHSGVIME-WXHSDQCUSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846038012 645390103 /nfs/dbraw/zinc/39/01/03/645390103.db2.gz NUTBXISGGQGDFJ-MROQNXINSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846038014 645389536 /nfs/dbraw/zinc/38/95/36/645389536.db2.gz NUTBXISGGQGDFJ-VOAKCMCISA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846038017 645389376 /nfs/dbraw/zinc/38/93/76/645389376.db2.gz NUTBXISGGQGDFJ-XQHKEYJVSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846038020 582642972 /nfs/dbraw/zinc/64/29/72/582642972.db2.gz NUTBXISGGQGDFJ-YVECIDJPSA-N 1 0 247.785 3.859 20 0 BHADRO CC(C)C1CC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846038040 645389603 /nfs/dbraw/zinc/38/96/03/645389603.db2.gz ONQKVVFTFOIODR-FIYWTHMPSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)C1CC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)C1 ZINC000846038042 645389559 /nfs/dbraw/zinc/38/95/59/645389559.db2.gz ONQKVVFTFOIODR-IFWUJCSASA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)C1CC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)C1 ZINC000846038044 582643020 /nfs/dbraw/zinc/64/30/20/582643020.db2.gz ONQKVVFTFOIODR-TUUUFIMRSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)C1CC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846038046 582643172 /nfs/dbraw/zinc/64/31/72/582643172.db2.gz ONQKVVFTFOIODR-TYUFSLCMSA-N 1 0 247.785 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C(C)C ZINC000846038330 645390190 /nfs/dbraw/zinc/39/01/90/645390190.db2.gz OFHXKDVLKFDJBU-QJPTWQEYSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C(C)C ZINC000846038331 645389467 /nfs/dbraw/zinc/38/94/67/645389467.db2.gz OFHXKDVLKFDJBU-SDDRHHMPSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C(C)C ZINC000846038333 645389904 /nfs/dbraw/zinc/38/99/04/645389904.db2.gz OFHXKDVLKFDJBU-SRVKXCTJSA-N 1 0 235.774 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C(C)C ZINC000846038334 645389653 /nfs/dbraw/zinc/38/96/53/645389653.db2.gz OFHXKDVLKFDJBU-TUAOUCFPSA-N 1 0 235.774 3.715 20 0 BHADRO CCC(CC)C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846038383 645389498 /nfs/dbraw/zinc/38/94/98/645389498.db2.gz OVWJVERDSKRGJD-NEPJUHHUSA-N 1 0 235.774 3.717 20 0 BHADRO CCC(CC)C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846038384 645389530 /nfs/dbraw/zinc/38/95/30/645389530.db2.gz OVWJVERDSKRGJD-NWDGAFQWSA-N 1 0 235.774 3.717 20 0 BHADRO CCC(CC)C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846038385 645390056 /nfs/dbraw/zinc/39/00/56/645390056.db2.gz OVWJVERDSKRGJD-RYUDHWBXSA-N 1 0 235.774 3.717 20 0 BHADRO CCC(CC)C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846038386 645389807 /nfs/dbraw/zinc/38/98/07/645389807.db2.gz OVWJVERDSKRGJD-VXGBXAGGSA-N 1 0 235.774 3.717 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846040017 645390509 /nfs/dbraw/zinc/39/05/09/645390509.db2.gz TYDOPOZXKIVYFF-QJPTWQEYSA-N 1 0 235.774 3.717 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846040018 645392115 /nfs/dbraw/zinc/39/21/15/645392115.db2.gz TYDOPOZXKIVYFF-SDDRHHMPSA-N 1 0 235.774 3.717 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846040019 645391536 /nfs/dbraw/zinc/39/15/36/645391536.db2.gz TYDOPOZXKIVYFF-SRVKXCTJSA-N 1 0 235.774 3.717 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846040020 645392065 /nfs/dbraw/zinc/39/20/65/645392065.db2.gz TYDOPOZXKIVYFF-TUAOUCFPSA-N 1 0 235.774 3.717 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846040425 645392515 /nfs/dbraw/zinc/39/25/15/645392515.db2.gz UJHWLGKYWOXBKA-QJPTWQEYSA-N 1 0 235.774 3.715 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846040428 645392120 /nfs/dbraw/zinc/39/21/20/645392120.db2.gz UJHWLGKYWOXBKA-SDDRHHMPSA-N 1 0 235.774 3.715 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846040430 645391288 /nfs/dbraw/zinc/39/12/88/645391288.db2.gz UJHWLGKYWOXBKA-SRVKXCTJSA-N 1 0 235.774 3.715 20 0 BHADRO CC(C)C[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846040432 645391796 /nfs/dbraw/zinc/39/17/96/645391796.db2.gz UJHWLGKYWOXBKA-TUAOUCFPSA-N 1 0 235.774 3.715 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846040728 645391660 /nfs/dbraw/zinc/39/16/60/645391660.db2.gz XGCIBEDYICFQCV-AVGNSLFASA-N 1 0 245.769 3.780 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846040733 645391367 /nfs/dbraw/zinc/39/13/67/645391367.db2.gz XGCIBEDYICFQCV-RWMBFGLXSA-N 1 0 245.769 3.780 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846040735 645392296 /nfs/dbraw/zinc/39/22/96/645392296.db2.gz XGCIBEDYICFQCV-XQQFMLRXSA-N 1 0 245.769 3.780 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846040736 645391888 /nfs/dbraw/zinc/39/18/88/645391888.db2.gz XGCIBEDYICFQCV-YNEHKIRRSA-N 1 0 245.769 3.780 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)C1 ZINC000846041506 588254656 /nfs/dbraw/zinc/25/46/56/588254656.db2.gz YPCDPNDLCFNCKT-MROQNXINSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846041507 588254558 /nfs/dbraw/zinc/25/45/58/588254558.db2.gz YPCDPNDLCFNCKT-VOAKCMCISA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)C1 ZINC000846041508 588254640 /nfs/dbraw/zinc/25/46/40/588254640.db2.gz YPCDPNDLCFNCKT-XQHKEYJVSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846041509 588254720 /nfs/dbraw/zinc/25/47/20/588254720.db2.gz YPCDPNDLCFNCKT-YVECIDJPSA-N 1 0 247.785 3.859 20 0 BHADRO CC(C)(C)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846101629 588256659 /nfs/dbraw/zinc/25/66/59/588256659.db2.gz FTCQIRWCRPZOIE-SECBINFHSA-N 1 0 238.202 3.596 20 0 BHADRO CC(C)(C)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846101630 588256588 /nfs/dbraw/zinc/25/65/88/588256588.db2.gz FTCQIRWCRPZOIE-VIFPVBQESA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@@H](C)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846104816 588256830 /nfs/dbraw/zinc/25/68/30/588256830.db2.gz LBLWWTOTLVCNEA-NXEZZACHSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@H](C)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846104818 588256634 /nfs/dbraw/zinc/25/66/34/588256634.db2.gz LBLWWTOTLVCNEA-UWVGGRQHSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@H](C)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846104819 588256625 /nfs/dbraw/zinc/25/66/25/588256625.db2.gz LBLWWTOTLVCNEA-VHSXEESVSA-N 1 0 238.202 3.596 20 0 BHADRO CC[C@@H](C)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846104821 588256067 /nfs/dbraw/zinc/25/60/67/588256067.db2.gz LBLWWTOTLVCNEA-ZJUUUORDSA-N 1 0 238.202 3.596 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@]2(CC2(F)F)C1)C(C)(C)C ZINC000846104908 588256690 /nfs/dbraw/zinc/25/66/90/588256690.db2.gz MZFCGXHEHORSGY-AAEUAGOBSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)C(C)(C)C ZINC000846104910 588256706 /nfs/dbraw/zinc/25/67/06/588256706.db2.gz MZFCGXHEHORSGY-DGCLKSJQSA-N 1 0 245.357 3.790 20 0 BHADRO C[C@@H](C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)C(C)(C)C ZINC000846104912 588256629 /nfs/dbraw/zinc/25/66/29/588256629.db2.gz MZFCGXHEHORSGY-WCQYABFASA-N 1 0 245.357 3.790 20 0 BHADRO C[C@H](C[N@@H+]1CCC[C@]2(CC2(F)F)C1)C(C)(C)C ZINC000846104915 588256670 /nfs/dbraw/zinc/25/66/70/588256670.db2.gz MZFCGXHEHORSGY-YPMHNXCESA-N 1 0 245.357 3.790 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105142 588256828 /nfs/dbraw/zinc/25/68/28/588256828.db2.gz QKRZGISCJJMLQE-NEPJUHHUSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105144 588256552 /nfs/dbraw/zinc/25/65/52/588256552.db2.gz QKRZGISCJJMLQE-NWDGAFQWSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[C@H](C)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105146 588256660 /nfs/dbraw/zinc/25/66/60/588256660.db2.gz QKRZGISCJJMLQE-RYUDHWBXSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105148 588256692 /nfs/dbraw/zinc/25/66/92/588256692.db2.gz QKRZGISCJJMLQE-VXGBXAGGSA-N 1 0 231.330 3.544 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107110 588256928 /nfs/dbraw/zinc/25/69/28/588256928.db2.gz FKYSZQZWIAASDQ-GFCCVEGCSA-N 1 0 231.330 3.544 20 0 BHADRO CCC(CC)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107111 588257117 /nfs/dbraw/zinc/25/71/17/588257117.db2.gz FKYSZQZWIAASDQ-LBPRGKRZSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846108403 588257114 /nfs/dbraw/zinc/25/71/14/588257114.db2.gz CXCLJCDSLSUBIW-NXEZZACHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846108404 588257107 /nfs/dbraw/zinc/25/71/07/588257107.db2.gz CXCLJCDSLSUBIW-UWVGGRQHSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@H](C)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846108405 588257089 /nfs/dbraw/zinc/25/70/89/588257089.db2.gz CXCLJCDSLSUBIW-VHSXEESVSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)[C@@H](C)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846108406 588256915 /nfs/dbraw/zinc/25/69/15/588256915.db2.gz CXCLJCDSLSUBIW-ZJUUUORDSA-N 1 0 238.202 3.595 20 0 BHADRO CCC(CC)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846109885 588256880 /nfs/dbraw/zinc/25/68/80/588256880.db2.gz JZYWLXPOIBADEJ-SECBINFHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC(CC)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846109886 588257131 /nfs/dbraw/zinc/25/71/31/588257131.db2.gz JZYWLXPOIBADEJ-VIFPVBQESA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@@H](C)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846110385 588256988 /nfs/dbraw/zinc/25/69/88/588256988.db2.gz MFZIVRJNRVEHIZ-NXEZZACHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](C)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846110386 588257053 /nfs/dbraw/zinc/25/70/53/588257053.db2.gz MFZIVRJNRVEHIZ-UWVGGRQHSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@H](C)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846110387 588257039 /nfs/dbraw/zinc/25/70/39/588257039.db2.gz MFZIVRJNRVEHIZ-VHSXEESVSA-N 1 0 238.202 3.739 20 0 BHADRO CCC[C@@H](C)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846110388 588256869 /nfs/dbraw/zinc/25/68/69/588256869.db2.gz MFZIVRJNRVEHIZ-ZJUUUORDSA-N 1 0 238.202 3.739 20 0 BHADRO FC1(F)[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC000846112009 588257216 /nfs/dbraw/zinc/25/72/16/588257216.db2.gz ARCGTUJXRSANGQ-BETUJISGSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)[C@H]2C[N@H+](CCCC3CCCCC3)C[C@H]21 ZINC000846112127 582650747 /nfs/dbraw/zinc/65/07/47/582650747.db2.gz PQTFPPJMKCCRAT-BETUJISGSA-N 1 0 243.341 3.544 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C1CC2(CCC2)C1 ZINC000846113693 588257569 /nfs/dbraw/zinc/25/75/69/588257569.db2.gz NXWKBDKKOOACGE-LLVKDONJSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C1CC2(CCC2)C1 ZINC000846113694 588257630 /nfs/dbraw/zinc/25/76/30/588257630.db2.gz NXWKBDKKOOACGE-NSHDSACASA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@H]1C[C@@H]1C ZINC000846182182 588259359 /nfs/dbraw/zinc/25/93/59/588259359.db2.gz ADDRARHLAZDYKZ-JZRPKSSGSA-N 1 0 247.785 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@H]1C[C@H]1C ZINC000846182183 588259333 /nfs/dbraw/zinc/25/93/33/588259333.db2.gz ADDRARHLAZDYKZ-KSSYENDESA-N 1 0 247.785 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@@H]1C[C@@H]1C ZINC000846182184 588259299 /nfs/dbraw/zinc/25/92/99/588259299.db2.gz ADDRARHLAZDYKZ-OBPIAQAESA-N 1 0 247.785 3.715 20 0 BHADRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@@H]1C[C@H]1C ZINC000846182185 588259150 /nfs/dbraw/zinc/25/91/50/588259150.db2.gz ADDRARHLAZDYKZ-UJPOAAIJSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C1CC1 ZINC000846182694 588259551 /nfs/dbraw/zinc/25/95/51/588259551.db2.gz BXXZEQSKCJFLQF-AVGNSLFASA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C1CC1 ZINC000846182695 588259453 /nfs/dbraw/zinc/25/94/53/588259453.db2.gz BXXZEQSKCJFLQF-RWMBFGLXSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C1CC1 ZINC000846182696 588259423 /nfs/dbraw/zinc/25/94/23/588259423.db2.gz BXXZEQSKCJFLQF-XQQFMLRXSA-N 1 0 247.785 3.715 20 0 BHADRO CC(C)[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C1CC1 ZINC000846182697 588259566 /nfs/dbraw/zinc/25/95/66/588259566.db2.gz BXXZEQSKCJFLQF-YNEHKIRRSA-N 1 0 247.785 3.715 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846183855 588259454 /nfs/dbraw/zinc/25/94/54/588259454.db2.gz ISCMEWRZMCTWKI-MROQNXINSA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846183857 588259530 /nfs/dbraw/zinc/25/95/30/588259530.db2.gz ISCMEWRZMCTWKI-VOAKCMCISA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846183858 588259602 /nfs/dbraw/zinc/25/96/02/588259602.db2.gz ISCMEWRZMCTWKI-XQHKEYJVSA-N 1 0 247.785 3.859 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846183860 588259373 /nfs/dbraw/zinc/25/93/73/588259373.db2.gz ISCMEWRZMCTWKI-YVECIDJPSA-N 1 0 247.785 3.859 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC23CCC3)C[C@]1(F)Cl ZINC000846184582 588259561 /nfs/dbraw/zinc/25/95/61/588259561.db2.gz LOUJQJXNJKWVDR-GMXVVIOVSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCC23CCC3)C[C@@]1(F)Cl ZINC000846184584 588259481 /nfs/dbraw/zinc/25/94/81/588259481.db2.gz LOUJQJXNJKWVDR-GVXVVHGQSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCC23CCC3)C[C@@]1(F)Cl ZINC000846184586 588259526 /nfs/dbraw/zinc/25/95/26/588259526.db2.gz LOUJQJXNJKWVDR-MDZLAQPJSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCC23CCC3)C[C@]1(F)Cl ZINC000846184588 588258771 /nfs/dbraw/zinc/25/87/71/588258771.db2.gz LOUJQJXNJKWVDR-NTZNESFSSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C(C)(C)C ZINC000846184662 588259601 /nfs/dbraw/zinc/25/96/01/588259601.db2.gz MVCKVSSROJEQSE-DLOVCJGASA-N 1 0 235.774 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C(C)(C)C ZINC000846184663 588259572 /nfs/dbraw/zinc/25/95/72/588259572.db2.gz MVCKVSSROJEQSE-MVWJERBFSA-N 1 0 235.774 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C(C)(C)C ZINC000846184664 588259378 /nfs/dbraw/zinc/25/93/78/588259378.db2.gz MVCKVSSROJEQSE-WCQGTBRESA-N 1 0 235.774 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C(C)(C)C ZINC000846184665 588259491 /nfs/dbraw/zinc/25/94/91/588259491.db2.gz MVCKVSSROJEQSE-ZMLRMANQSA-N 1 0 235.774 3.715 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccco1 ZINC000846188336 588259511 /nfs/dbraw/zinc/25/95/11/588259511.db2.gz IQOVAUCAXWGWFD-DLOVCJGASA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccco1 ZINC000846188338 588259430 /nfs/dbraw/zinc/25/94/30/588259430.db2.gz IQOVAUCAXWGWFD-MVWJERBFSA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccco1 ZINC000846188339 588259399 /nfs/dbraw/zinc/25/93/99/588259399.db2.gz IQOVAUCAXWGWFD-WCQGTBRESA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccco1 ZINC000846188341 588259546 /nfs/dbraw/zinc/25/95/46/588259546.db2.gz IQOVAUCAXWGWFD-ZMLRMANQSA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccoc1 ZINC000846191833 588259837 /nfs/dbraw/zinc/25/98/37/588259837.db2.gz UZTYVBWULICLPV-DLOVCJGASA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccoc1 ZINC000846191835 588259798 /nfs/dbraw/zinc/25/97/98/588259798.db2.gz UZTYVBWULICLPV-MVWJERBFSA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccoc1 ZINC000846191836 588259769 /nfs/dbraw/zinc/25/97/69/588259769.db2.gz UZTYVBWULICLPV-WCQGTBRESA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccoc1 ZINC000846191837 588259627 /nfs/dbraw/zinc/25/96/27/588259627.db2.gz UZTYVBWULICLPV-ZMLRMANQSA-N 1 0 245.725 3.635 20 0 BHADRO C[C@H](Cc1cccc(F)c1)[NH2+]C1(C2CCC2)CC1 ZINC000846207207 588260084 /nfs/dbraw/zinc/26/00/84/588260084.db2.gz LPOLZVQFUGQJER-GFCCVEGCSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@@H](Cc1cccc(F)c1)[NH2+]C1(C2CCC2)CC1 ZINC000846207208 588260172 /nfs/dbraw/zinc/26/01/72/588260172.db2.gz LPOLZVQFUGQJER-LBPRGKRZSA-N 1 0 247.357 3.679 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C1(C2CCC2)CC1 ZINC000846208226 588260085 /nfs/dbraw/zinc/26/00/85/588260085.db2.gz XEIGSOARNYGBFR-LLVKDONJSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C1(C2CCC2)CC1 ZINC000846208228 588260175 /nfs/dbraw/zinc/26/01/75/588260175.db2.gz XEIGSOARNYGBFR-NSHDSACASA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C1(C2CCC2)CC1 ZINC000846208455 588260202 /nfs/dbraw/zinc/26/02/02/588260202.db2.gz YGWJGDWEPSZYFD-LLVKDONJSA-N 1 0 209.377 3.733 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C1(C2CCC2)CC1 ZINC000846208456 588259979 /nfs/dbraw/zinc/25/99/79/588259979.db2.gz YGWJGDWEPSZYFD-NSHDSACASA-N 1 0 209.377 3.733 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000846210694 588260213 /nfs/dbraw/zinc/26/02/13/588260213.db2.gz BPIRMJOPKGKPAV-JTQLQIEISA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000846210695 588260195 /nfs/dbraw/zinc/26/01/95/588260195.db2.gz BPIRMJOPKGKPAV-SNVBAGLBSA-N 1 0 248.370 3.529 20 0 BHADRO CCn1cc[nH+]c1NCc1ccccc1C(C)C ZINC000846776681 588287596 /nfs/dbraw/zinc/28/75/96/588287596.db2.gz GZHODRGELXJBHB-UHFFFAOYSA-N 1 0 243.354 3.639 20 0 BHADRO Cc1ccsc1-c1ccc(C[NH+](C)C)cc1 ZINC000846780197 588288056 /nfs/dbraw/zinc/28/80/56/588288056.db2.gz RDBMQJHQZCMCIF-UHFFFAOYSA-N 1 0 231.364 3.785 20 0 BHADRO C[NH+](C)Cc1ccc(-c2cccc(CF)c2)cc1 ZINC000846780206 588288042 /nfs/dbraw/zinc/28/80/42/588288042.db2.gz RHJUZLBLVMLBDJ-UHFFFAOYSA-N 1 0 243.325 3.885 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000846796350 588289079 /nfs/dbraw/zinc/28/90/79/588289079.db2.gz HLYWDMSCLOZEJA-UHFFFAOYSA-N 1 0 244.741 3.542 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000846831553 588291594 /nfs/dbraw/zinc/29/15/94/588291594.db2.gz LYJMBXUDLPGODF-UHFFFAOYSA-N 1 0 244.741 3.542 20 0 BHADRO CC(C)(CC[N@@H+]1CC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000846837837 588292403 /nfs/dbraw/zinc/29/24/03/588292403.db2.gz QVMCOPNDEHWBMY-LLVKDONJSA-N 1 0 249.320 3.697 20 0 BHADRO CC(C)(CC[N@@H+]1CC[C@H](C(F)(F)F)C1)C1CC1 ZINC000846837841 588292312 /nfs/dbraw/zinc/29/23/12/588292312.db2.gz QVMCOPNDEHWBMY-NSHDSACASA-N 1 0 249.320 3.697 20 0 BHADRO CC(C)(CC[NH+]1CCC(F)(F)CC1)C1CC1 ZINC000846881971 588295162 /nfs/dbraw/zinc/29/51/62/588295162.db2.gz GHABPINOYOMJAB-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CCC[N@H+](C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000847023238 588303380 /nfs/dbraw/zinc/30/33/80/588303380.db2.gz BATVVYCZZVZLFU-JTQLQIEISA-N 1 0 238.202 3.691 20 0 BHADRO CCC[N@H+](C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000847023241 588303432 /nfs/dbraw/zinc/30/34/32/588303432.db2.gz BATVVYCZZVZLFU-SNVBAGLBSA-N 1 0 238.202 3.691 20 0 BHADRO CCC[N@H+](Cc1cncc2ccccc21)C(C)C ZINC000847028069 645420602 /nfs/dbraw/zinc/42/06/02/645420602.db2.gz QVNBDGQOMQHNAW-UHFFFAOYSA-N 1 0 242.366 3.855 20 0 BHADRO CCC[N@H+](Cc1ccc(CF)cc1)C(C)C ZINC000847028123 645419946 /nfs/dbraw/zinc/41/99/46/645419946.db2.gz RGSFZWXPPXRKGZ-UHFFFAOYSA-N 1 0 223.335 3.777 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1F ZINC000847028499 645420148 /nfs/dbraw/zinc/42/01/48/645420148.db2.gz UBCWOXFYBOZMBI-FZKGZDJFSA-N 1 0 227.710 3.619 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1F ZINC000847028503 645419486 /nfs/dbraw/zinc/41/94/86/645419486.db2.gz UBCWOXFYBOZMBI-VVEJJEBESA-N 1 0 227.710 3.619 20 0 BHADRO CCC[N@H+](CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000847029063 588304244 /nfs/dbraw/zinc/30/42/44/588304244.db2.gz VUGNGEKLUGSHAY-JTQLQIEISA-N 1 0 238.202 3.691 20 0 BHADRO CCC[N@H+](CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000847029065 588304205 /nfs/dbraw/zinc/30/42/05/588304205.db2.gz VUGNGEKLUGSHAY-SNVBAGLBSA-N 1 0 238.202 3.691 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000848513031 588388262 /nfs/dbraw/zinc/38/82/62/588388262.db2.gz CMPHBTZXXNZRAJ-KBPBESRZSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000848513037 588388356 /nfs/dbraw/zinc/38/83/56/588388356.db2.gz CMPHBTZXXNZRAJ-KGLIPLIRSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000848513038 588387543 /nfs/dbraw/zinc/38/75/43/588387543.db2.gz CMPHBTZXXNZRAJ-UONOGXRCSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000848513040 588387622 /nfs/dbraw/zinc/38/76/22/588387622.db2.gz CMPHBTZXXNZRAJ-ZIAGYGMSSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000848514901 588389050 /nfs/dbraw/zinc/38/90/50/588389050.db2.gz STRFENOSDPEVBL-GXTWGEPZSA-N 1 0 249.402 3.795 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000848514902 588387504 /nfs/dbraw/zinc/38/75/04/588387504.db2.gz STRFENOSDPEVBL-JSGCOSHPSA-N 1 0 249.402 3.795 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000848514903 588387744 /nfs/dbraw/zinc/38/77/44/588387744.db2.gz STRFENOSDPEVBL-OCCSQVGLSA-N 1 0 249.402 3.795 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000848514904 588387933 /nfs/dbraw/zinc/38/79/33/588387933.db2.gz STRFENOSDPEVBL-TZMCWYRMSA-N 1 0 249.402 3.795 20 0 BHADRO Cc1ncncc1[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000848515562 588388934 /nfs/dbraw/zinc/38/89/34/588388934.db2.gz YNZOVRZDEIOPRI-CYBMUJFWSA-N 1 0 247.386 3.549 20 0 BHADRO Cc1ncncc1[C@H](C)[NH2+]C1CCCCCCC1 ZINC000848515563 588389127 /nfs/dbraw/zinc/38/91/27/588389127.db2.gz YNZOVRZDEIOPRI-ZDUSSCGKSA-N 1 0 247.386 3.549 20 0 BHADRO CCOCCCC[NH2+]Cc1ccccc1C(C)C ZINC000848530049 582798688 /nfs/dbraw/zinc/79/86/88/582798688.db2.gz BHTSCTGJJGYTJT-UHFFFAOYSA-N 1 0 249.398 3.716 20 0 BHADRO COCCCCC[NH2+]Cc1ccccc1C(C)C ZINC000848533144 588394143 /nfs/dbraw/zinc/39/41/43/588394143.db2.gz OHOLFKDPAAVTGH-UHFFFAOYSA-N 1 0 249.398 3.716 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CCC(F)(F)F ZINC000848541816 588395055 /nfs/dbraw/zinc/39/50/55/588395055.db2.gz XBVWXWTZUGVNGF-UHFFFAOYSA-N 1 0 245.288 3.852 20 0 BHADRO CS[C@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC000848544660 588395203 /nfs/dbraw/zinc/39/52/03/588395203.db2.gz UELVJSPVWYYMIR-GFCCVEGCSA-N 1 0 237.412 3.651 20 0 BHADRO CS[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC000848544661 588395378 /nfs/dbraw/zinc/39/53/78/588395378.db2.gz UELVJSPVWYYMIR-LBPRGKRZSA-N 1 0 237.412 3.651 20 0 BHADRO c1cc2cc(C[NH2+]C34CCC(CC3)C4)ccc2[nH]1 ZINC000848548331 588395803 /nfs/dbraw/zinc/39/58/03/588395803.db2.gz ZSFUGAZWGKYOMV-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C1CC(F)(F)C1 ZINC000848549519 588396093 /nfs/dbraw/zinc/39/60/93/588396093.db2.gz WHFKSHAFPQCSKY-UHFFFAOYSA-N 1 0 239.309 3.697 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CCCCF ZINC000848553231 588396588 /nfs/dbraw/zinc/39/65/88/588396588.db2.gz KZWVNLMTTRUPTR-UHFFFAOYSA-N 1 0 223.335 3.649 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CCC(C)(F)F ZINC000848554227 588396788 /nfs/dbraw/zinc/39/67/88/588396788.db2.gz XONCQEBJLPKZQJ-UHFFFAOYSA-N 1 0 241.325 3.945 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CC[C@@H](C)F ZINC000848554342 588396611 /nfs/dbraw/zinc/39/66/11/588396611.db2.gz YWBHUJZETRKBLT-GFCCVEGCSA-N 1 0 223.335 3.648 20 0 BHADRO CC(C)c1ccccc1C[NH2+]CC[C@H](C)F ZINC000848554343 588396248 /nfs/dbraw/zinc/39/62/48/588396248.db2.gz YWBHUJZETRKBLT-LBPRGKRZSA-N 1 0 223.335 3.648 20 0 BHADRO COCC[C@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC000848556148 588396987 /nfs/dbraw/zinc/39/69/87/588396987.db2.gz OBCRHKSQSRKQMB-AWEZNQCLSA-N 1 0 249.398 3.572 20 0 BHADRO COCC[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC000848556149 588396865 /nfs/dbraw/zinc/39/68/65/588396865.db2.gz OBCRHKSQSRKQMB-CQSZACIVSA-N 1 0 249.398 3.572 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1F ZINC000848556511 582802505 /nfs/dbraw/zinc/80/25/05/582802505.db2.gz ZXLWPJDVFNGJED-GDLCADMTSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1F ZINC000848556512 582802684 /nfs/dbraw/zinc/80/26/84/582802684.db2.gz ZXLWPJDVFNGJED-HONMWMINSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1F ZINC000848556513 582802671 /nfs/dbraw/zinc/80/26/71/582802671.db2.gz ZXLWPJDVFNGJED-LERXQTSPSA-N 1 0 221.319 3.665 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1F ZINC000848556514 582802904 /nfs/dbraw/zinc/80/29/04/582802904.db2.gz ZXLWPJDVFNGJED-ZLKJLUDKSA-N 1 0 221.319 3.665 20 0 BHADRO COc1c(C)cc(C[NH2+]C2(C)CC=CC2)cc1C ZINC000848560811 588397756 /nfs/dbraw/zinc/39/77/56/588397756.db2.gz KQLQWLBRTZKHOT-UHFFFAOYSA-N 1 0 245.366 3.510 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C(C)(C)C ZINC000848564122 588397518 /nfs/dbraw/zinc/39/75/18/588397518.db2.gz BZXFOWFQQYLBSJ-DZGCQCFKSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)Cc1ccccn1)C(C)(C)C ZINC000848564124 588397795 /nfs/dbraw/zinc/39/77/95/588397795.db2.gz BZXFOWFQQYLBSJ-HIFRSBDPSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)Cc1ccccn1)C(C)(C)C ZINC000848564125 588397821 /nfs/dbraw/zinc/39/78/21/588397821.db2.gz BZXFOWFQQYLBSJ-UKRRQHHQSA-N 1 0 248.414 3.817 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)Cc1ccccn1)C(C)(C)C ZINC000848564126 588397588 /nfs/dbraw/zinc/39/75/88/588397588.db2.gz BZXFOWFQQYLBSJ-ZFWWWQNUSA-N 1 0 248.414 3.817 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@H](C)Cc1ccccn1 ZINC000848564792 588398170 /nfs/dbraw/zinc/39/81/70/588398170.db2.gz ISOUSCDZQIRJFC-CABCVRRESA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000848564793 588398258 /nfs/dbraw/zinc/39/82/58/588398258.db2.gz ISOUSCDZQIRJFC-GJZGRUSLSA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)Cc1ccccn1 ZINC000848564794 588398013 /nfs/dbraw/zinc/39/80/13/588398013.db2.gz ISOUSCDZQIRJFC-HUUCEWRRSA-N 1 0 248.414 3.961 20 0 BHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000848564795 588398074 /nfs/dbraw/zinc/39/80/74/588398074.db2.gz ISOUSCDZQIRJFC-LSDHHAIUSA-N 1 0 248.414 3.961 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1noc2ccccc12 ZINC000848573810 588398891 /nfs/dbraw/zinc/39/88/91/588398891.db2.gz ZRTNZJPTCRVDJN-GFCCVEGCSA-N 1 0 246.354 3.886 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1noc2ccccc12 ZINC000848573811 588399053 /nfs/dbraw/zinc/39/90/53/588399053.db2.gz ZRTNZJPTCRVDJN-LBPRGKRZSA-N 1 0 246.354 3.886 20 0 BHADRO CC(C)c1ccccc1C[NH2+]C1CC=CC1 ZINC000848899813 588417407 /nfs/dbraw/zinc/41/74/07/588417407.db2.gz UBXOLJGAGSJYNB-UHFFFAOYSA-N 1 0 215.340 3.618 20 0 BHADRO CC(C)c1ccccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000848915790 588420137 /nfs/dbraw/zinc/42/01/37/588420137.db2.gz ASRPVAMMBCDAIP-UHFFFAOYSA-N 1 0 247.357 3.744 20 0 BHADRO CC(C)c1ccccc1C[NH+]1CC(C(F)F)C1 ZINC000848917827 588421016 /nfs/dbraw/zinc/42/10/16/588421016.db2.gz XYRIGFJCFDAXFO-UHFFFAOYSA-N 1 0 239.309 3.507 20 0 BHADRO COCCCC[N@H+](C)Cc1ccccc1C(C)C ZINC000848918007 588421085 /nfs/dbraw/zinc/42/10/85/588421085.db2.gz MRGALVIPUMUTER-UHFFFAOYSA-N 1 0 249.398 3.668 20 0 BHADRO CCC[N@H+](Cc1cnc(Cl)c(C)c1)C(C)C ZINC000848923455 588420746 /nfs/dbraw/zinc/42/07/46/588420746.db2.gz KDDKGDHBAHKSCB-UHFFFAOYSA-N 1 0 240.778 3.664 20 0 BHADRO CCC[N@H+](Cc1cc(C)oc1C)C(C)C ZINC000848923508 588421390 /nfs/dbraw/zinc/42/13/90/588421390.db2.gz MAFGEOWKSKJZDU-UHFFFAOYSA-N 1 0 209.333 3.517 20 0 BHADRO C[C@H](C[NH2+]Cc1noc2ccccc12)C(C)(C)C ZINC000848930339 588422013 /nfs/dbraw/zinc/42/20/13/588422013.db2.gz QMDUWKHOQWVRPR-LLVKDONJSA-N 1 0 246.354 3.600 20 0 BHADRO C[C@@H](C[NH2+]Cc1noc2ccccc12)C(C)(C)C ZINC000848930341 588421772 /nfs/dbraw/zinc/42/17/72/588421772.db2.gz QMDUWKHOQWVRPR-NSHDSACASA-N 1 0 246.354 3.600 20 0 BHADRO Cc1cccc(NC(=[NH2+])NCC2CCCCC2)c1 ZINC000848980463 588423240 /nfs/dbraw/zinc/42/32/40/588423240.db2.gz PTQGHWDENLYJGZ-UHFFFAOYSA-N 1 0 245.370 3.512 20 0 BHADRO Cc1cccc(NC(=[NH2+])NCCC2CCCC2)c1 ZINC000848990912 588426954 /nfs/dbraw/zinc/42/69/54/588426954.db2.gz DLZJZKLZEODNNZ-UHFFFAOYSA-N 1 0 245.370 3.512 20 0 BHADRO CC(C)c1cccc(NC(=[NH2+])NCC2CCC2)c1 ZINC000848991019 588427215 /nfs/dbraw/zinc/42/72/15/588427215.db2.gz SLFAHRKCTDKDMW-UHFFFAOYSA-N 1 0 245.370 3.546 20 0 BHADRO CC(C)c1cccc(NC(=[NH2+])NCC2(C)CC2)c1 ZINC000849003956 588431645 /nfs/dbraw/zinc/43/16/45/588431645.db2.gz QDAQMFQXLUFASE-UHFFFAOYSA-N 1 0 245.370 3.546 20 0 BHADRO Cc1cccc(NC(=[NH2+])NCC2(C)CCCC2)c1 ZINC000849007370 588433135 /nfs/dbraw/zinc/43/31/35/588433135.db2.gz WSORNHRETCELLY-UHFFFAOYSA-N 1 0 245.370 3.512 20 0 BHADRO CC[C@@H](C)NC(=[NH2+])NCCCCCCC(C)C ZINC000849018768 588438007 /nfs/dbraw/zinc/43/80/07/588438007.db2.gz WFYVKNKLWWJNSN-CYBMUJFWSA-N 1 0 241.423 3.505 20 0 BHADRO CC[C@H](C)NC(=[NH2+])NCCCCCCC(C)C ZINC000849018769 588438271 /nfs/dbraw/zinc/43/82/71/588438271.db2.gz WFYVKNKLWWJNSN-ZDUSSCGKSA-N 1 0 241.423 3.505 20 0 BHADRO Cc1cccc(NC(=[NH2+])NCC(C)(C)C(C)C)c1 ZINC000849020612 588438514 /nfs/dbraw/zinc/43/85/14/588438514.db2.gz NHQZJGIKXNTDEY-UHFFFAOYSA-N 1 0 247.386 3.613 20 0 BHADRO CC(C)=CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849021520 588439163 /nfs/dbraw/zinc/43/91/63/588439163.db2.gz PAISUGSBFUGJHB-UHFFFAOYSA-N 1 0 245.370 3.596 20 0 BHADRO CC(C)=CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849021613 588439467 /nfs/dbraw/zinc/43/94/67/588439467.db2.gz UXDULCGRPCOULP-UHFFFAOYSA-N 1 0 245.370 3.596 20 0 BHADRO CCc1cccc(NC(=[NH2+])NCCC=C(C)C)c1 ZINC000849021780 588439180 /nfs/dbraw/zinc/43/91/80/588439180.db2.gz YSPDPICILUFEHH-UHFFFAOYSA-N 1 0 245.370 3.542 20 0 BHADRO CC/C=C/CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000849035336 588444728 /nfs/dbraw/zinc/44/47/28/588444728.db2.gz DECANQLANZIBJO-AATRIKPKSA-N 1 0 245.370 3.712 20 0 BHADRO CC/C=C\CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000849035338 588444799 /nfs/dbraw/zinc/44/47/99/588444799.db2.gz DECANQLANZIBJO-WAYWQWQTSA-N 1 0 245.370 3.712 20 0 BHADRO CCCCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849053650 588451750 /nfs/dbraw/zinc/45/17/50/588451750.db2.gz GGQQOTCAKLVEBL-CYBMUJFWSA-N 1 0 241.423 3.505 20 0 BHADRO CCCCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849053651 588451860 /nfs/dbraw/zinc/45/18/60/588451860.db2.gz GGQQOTCAKLVEBL-ZDUSSCGKSA-N 1 0 241.423 3.505 20 0 BHADRO CCCCNC(=[NH2+])NCCCCCCC(C)C ZINC000849053822 588451897 /nfs/dbraw/zinc/45/18/97/588451897.db2.gz PRKDLCNMLBWBEZ-UHFFFAOYSA-N 1 0 241.423 3.507 20 0 BHADRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(C)C)cc1 ZINC000849056143 588451948 /nfs/dbraw/zinc/45/19/48/588451948.db2.gz UNCFSZRKFYZWLU-GFCCVEGCSA-N 1 0 247.386 3.792 20 0 BHADRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC(C)C)cc1 ZINC000849056144 588451792 /nfs/dbraw/zinc/45/17/92/588451792.db2.gz UNCFSZRKFYZWLU-LBPRGKRZSA-N 1 0 247.386 3.792 20 0 BHADRO CCCCCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849057849 588451952 /nfs/dbraw/zinc/45/19/52/588451952.db2.gz WEYJTMZOHALHRU-UHFFFAOYSA-N 1 0 247.386 3.766 20 0 BHADRO CCc1ccc(NC(=[NH2+])NCCC(C)(C)C)cc1 ZINC000849058614 588451925 /nfs/dbraw/zinc/45/19/25/588451925.db2.gz IJGQXUNYGGDGFQ-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO CCc1cccc(NC(=[NH2+])NCCC(C)(C)C)c1 ZINC000849058643 588451891 /nfs/dbraw/zinc/45/18/91/588451891.db2.gz JGQGSJWKKYUIJF-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO Cc1cc(C)cc(NC(=[NH2+])NCCC(C)(C)C)c1 ZINC000849058691 588451804 /nfs/dbraw/zinc/45/18/04/588451804.db2.gz OOUSITDUKRIHQZ-UHFFFAOYSA-N 1 0 247.386 3.676 20 0 BHADRO Cc1ccc(NC(=[NH2+])NCCC(C)(C)C)cc1C ZINC000849058977 588451840 /nfs/dbraw/zinc/45/18/40/588451840.db2.gz ZPKSDXGYTHGDNX-UHFFFAOYSA-N 1 0 247.386 3.676 20 0 BHADRO CCc1ccc(NC(=[NH2+])NCCCC(C)C)cc1 ZINC000849062287 588452415 /nfs/dbraw/zinc/45/24/15/588452415.db2.gz MGLBERBGZCZEHF-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO Cc1cccc(NC(=[NH2+])NCCCC(C)(C)C)c1 ZINC000849098483 588452611 /nfs/dbraw/zinc/45/26/11/588452611.db2.gz PSOHSWXEUIVGLU-UHFFFAOYSA-N 1 0 247.386 3.758 20 0 BHADRO Cc1ccc(NC(=[NH2+])NC[C@@H](C)C(C)C)cc1C ZINC000849098802 588452839 /nfs/dbraw/zinc/45/28/39/588452839.db2.gz BJZOQZDLBISAFP-CYBMUJFWSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1ccc(NC(=[NH2+])NC[C@H](C)C(C)C)cc1C ZINC000849098803 588452700 /nfs/dbraw/zinc/45/27/00/588452700.db2.gz BJZOQZDLBISAFP-ZDUSSCGKSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C(C)C)c1 ZINC000849098937 588452590 /nfs/dbraw/zinc/45/25/90/588452590.db2.gz RXMPKBHQEZVFFZ-CYBMUJFWSA-N 1 0 247.386 3.532 20 0 BHADRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C(C)C)c1 ZINC000849098938 588452822 /nfs/dbraw/zinc/45/28/22/588452822.db2.gz RXMPKBHQEZVFFZ-ZDUSSCGKSA-N 1 0 247.386 3.532 20 0 BHADRO CCc1ccc(NC(=[NH2+])NCC(CC)CC)cc1 ZINC000849102123 588452846 /nfs/dbraw/zinc/45/28/46/588452846.db2.gz YICWYKXLXPZKKU-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO CCC(C)(C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849103778 588452719 /nfs/dbraw/zinc/45/27/19/588452719.db2.gz AXRJRAMBYAZWIB-UHFFFAOYSA-N 1 0 247.386 3.676 20 0 BHADRO CCc1ccc(NC(=[NH2+])NCC(C)(C)CC)cc1 ZINC000849103846 588452517 /nfs/dbraw/zinc/45/25/17/588452517.db2.gz CRCMDGQUULCFAD-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO CCC(C)(C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849104108 588452733 /nfs/dbraw/zinc/45/27/33/588452733.db2.gz KFNHARAFTCFTLW-UHFFFAOYSA-N 1 0 247.386 3.676 20 0 BHADRO CCc1cccc(NC(=[NH2+])NCC(C)(C)CC)c1 ZINC000849104799 588452758 /nfs/dbraw/zinc/45/27/58/588452758.db2.gz XDHUYEXCGIFYTE-UHFFFAOYSA-N 1 0 247.386 3.621 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000849321945 588472284 /nfs/dbraw/zinc/47/22/84/588472284.db2.gz CNULQVMHWFHZCO-GXTWGEPZSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000849321946 588472359 /nfs/dbraw/zinc/47/23/59/588472359.db2.gz CNULQVMHWFHZCO-JSGCOSHPSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000849321947 588472673 /nfs/dbraw/zinc/47/26/73/588472673.db2.gz CNULQVMHWFHZCO-OCCSQVGLSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000849321948 588472263 /nfs/dbraw/zinc/47/22/63/588472263.db2.gz CNULQVMHWFHZCO-TZMCWYRMSA-N 1 0 233.742 3.636 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322520 588472485 /nfs/dbraw/zinc/47/24/85/588472485.db2.gz IUDRJUYGRCKHEE-BXUZGUMPSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322522 588472574 /nfs/dbraw/zinc/47/25/74/588472574.db2.gz IUDRJUYGRCKHEE-FZMZJTMJSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322524 588472243 /nfs/dbraw/zinc/47/22/43/588472243.db2.gz IUDRJUYGRCKHEE-RISCZKNCSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322525 588472640 /nfs/dbraw/zinc/47/26/40/588472640.db2.gz IUDRJUYGRCKHEE-SMDDNHRTSA-N 1 0 237.293 3.724 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000849323128 588472324 /nfs/dbraw/zinc/47/23/24/588472324.db2.gz OCHAVSWYMRZWGY-HZMBPMFUSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+][C@H]1C=CCC1 ZINC000849323129 588472630 /nfs/dbraw/zinc/47/26/30/588472630.db2.gz OCHAVSWYMRZWGY-IINYFYTJSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000849323130 588472272 /nfs/dbraw/zinc/47/22/72/588472272.db2.gz OCHAVSWYMRZWGY-QMTHXVAHSA-N 1 0 233.742 3.636 20 0 BHADRO Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000849323131 588472567 /nfs/dbraw/zinc/47/25/67/588472567.db2.gz OCHAVSWYMRZWGY-YGRLFVJLSA-N 1 0 233.742 3.636 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000849350594 588474690 /nfs/dbraw/zinc/47/46/90/588474690.db2.gz RSPGPAZSBQDQJC-CYBMUJFWSA-N 1 0 234.387 3.717 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000849350595 588475000 /nfs/dbraw/zinc/47/50/00/588475000.db2.gz RSPGPAZSBQDQJC-ZDUSSCGKSA-N 1 0 234.387 3.717 20 0 BHADRO CCCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000850006709 588513927 /nfs/dbraw/zinc/51/39/27/588513927.db2.gz CFPWIULZHSTKGY-UHFFFAOYSA-N 1 0 248.395 3.966 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H](C)C3(C)CC3)[nH]c2c1 ZINC000850093448 588519525 /nfs/dbraw/zinc/51/95/25/588519525.db2.gz DLKBQWSINWLVNP-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H](C)C3(C)CC3)[nH]c2c1 ZINC000850093449 588519631 /nfs/dbraw/zinc/51/96/31/588519631.db2.gz DLKBQWSINWLVNP-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H](C)C3(C)CC3)cc21 ZINC000850093564 588519444 /nfs/dbraw/zinc/51/94/44/588519444.db2.gz FBGBEBQNTSBWAL-GFCCVEGCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)C3(C)CC3)cc21 ZINC000850093565 588519674 /nfs/dbraw/zinc/51/96/74/588519674.db2.gz FBGBEBQNTSBWAL-LBPRGKRZSA-N 1 0 242.366 3.755 20 0 BHADRO C[C@H]([NH2+]Cc1cc2ccncc2s1)C1(C)CC1 ZINC000850093584 588519650 /nfs/dbraw/zinc/51/96/50/588519650.db2.gz FUXLHLSKLGSLTJ-JTQLQIEISA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]([NH2+]Cc1cc2ccncc2s1)C1(C)CC1 ZINC000850093585 588519553 /nfs/dbraw/zinc/51/95/53/588519553.db2.gz FUXLHLSKLGSLTJ-SNVBAGLBSA-N 1 0 246.379 3.575 20 0 BHADRO c1c2ccncc2sc1C[NH2+]CCC1CCC1 ZINC000850184114 588525414 /nfs/dbraw/zinc/52/54/14/588525414.db2.gz MCIUFNDUMOZUKN-UHFFFAOYSA-N 1 0 246.379 3.576 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H]3CC[C@@H](C)C3)[nH]c2c1 ZINC000850266680 588533734 /nfs/dbraw/zinc/53/37/34/588533734.db2.gz HUXRXCBSUZCDKZ-BXUZGUMPSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H]3CC[C@H](C)C3)[nH]c2c1 ZINC000850266681 588533896 /nfs/dbraw/zinc/53/38/96/588533896.db2.gz HUXRXCBSUZCDKZ-FZMZJTMJSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@H]3CC[C@@H](C)C3)[nH]c2c1 ZINC000850266682 588534014 /nfs/dbraw/zinc/53/40/14/588534014.db2.gz HUXRXCBSUZCDKZ-RISCZKNCSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1ccc2cc(C[NH2+][C@@H]3CC[C@H](C)C3)[nH]c2c1 ZINC000850266683 588534027 /nfs/dbraw/zinc/53/40/27/588534027.db2.gz HUXRXCBSUZCDKZ-SMDDNHRTSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CC[C@H](C)C3)cc21 ZINC000850266882 588533983 /nfs/dbraw/zinc/53/39/83/588533983.db2.gz LFYSGPITHRVOLO-AAEUAGOBSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[C@@H](C)C3)cc21 ZINC000850266883 588534010 /nfs/dbraw/zinc/53/40/10/588534010.db2.gz LFYSGPITHRVOLO-DGCLKSJQSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[C@H](C)C3)cc21 ZINC000850266884 588533887 /nfs/dbraw/zinc/53/38/87/588533887.db2.gz LFYSGPITHRVOLO-WCQYABFASA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CC[C@@H](C)C3)cc21 ZINC000850266885 588533898 /nfs/dbraw/zinc/53/38/98/588533898.db2.gz LFYSGPITHRVOLO-YPMHNXCESA-N 1 0 242.366 3.755 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850267066 588534382 /nfs/dbraw/zinc/53/43/82/588534382.db2.gz PYQNLCAFHZUZFI-CMPLNLGQSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@H]1CC[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850267068 588534375 /nfs/dbraw/zinc/53/43/75/588534375.db2.gz PYQNLCAFHZUZFI-JQWIXIFHSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850267069 588534415 /nfs/dbraw/zinc/53/44/15/588534415.db2.gz PYQNLCAFHZUZFI-PWSUYJOCSA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850267071 588534203 /nfs/dbraw/zinc/53/42/03/588534203.db2.gz PYQNLCAFHZUZFI-ZYHUDNBSSA-N 1 0 246.379 3.575 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@H]3CCC3(C)C)cc21 ZINC000850297617 712611172 /nfs/dbraw/zinc/61/11/72/712611172.db2.gz LOHWTZKGWGAYGV-HNNXBMFYSA-N 1 0 242.366 3.755 20 0 BHADRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC3(C)C)cc21 ZINC000850297620 712611176 /nfs/dbraw/zinc/61/11/76/712611176.db2.gz LOHWTZKGWGAYGV-OAHLLOKOSA-N 1 0 242.366 3.755 20 0 BHADRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccoc1 ZINC000850343992 588538305 /nfs/dbraw/zinc/53/83/05/588538305.db2.gz ZQGCCKLXAOTELG-HNNXBMFYSA-N 1 0 247.313 3.530 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccoc1 ZINC000850343993 588537760 /nfs/dbraw/zinc/53/77/60/588537760.db2.gz ZQGCCKLXAOTELG-OAHLLOKOSA-N 1 0 247.313 3.530 20 0 BHADRO COC1CC(CC[NH2+]C2CCCCCCC2)C1 ZINC000850344223 588538053 /nfs/dbraw/zinc/53/80/53/588538053.db2.gz YIBFDJSXOQQZEX-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccnc1Cl ZINC000850355136 588538903 /nfs/dbraw/zinc/53/89/03/588538903.db2.gz GWTYMQYHWYIHTG-JTQLQIEISA-N 1 0 240.778 3.649 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccnc1Cl ZINC000850355137 588538440 /nfs/dbraw/zinc/53/84/40/588538440.db2.gz GWTYMQYHWYIHTG-SNVBAGLBSA-N 1 0 240.778 3.649 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000850355291 588538709 /nfs/dbraw/zinc/53/87/09/588538709.db2.gz FBFJZPUUZSGMSW-JTQLQIEISA-N 1 0 240.778 3.569 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000850355292 588538836 /nfs/dbraw/zinc/53/88/36/588538836.db2.gz FBFJZPUUZSGMSW-SNVBAGLBSA-N 1 0 240.778 3.569 20 0 BHADRO CC[C@@H](C)CC[NH2+]Cc1cnc(C(C)C)s1 ZINC000850355930 588538608 /nfs/dbraw/zinc/53/86/08/588538608.db2.gz NSKWANIVMLHLDR-LLVKDONJSA-N 1 0 240.416 3.792 20 0 BHADRO CC[C@H](C)CC[NH2+]Cc1cnc(C(C)C)s1 ZINC000850355931 588538605 /nfs/dbraw/zinc/53/86/05/588538605.db2.gz NSKWANIVMLHLDR-NSHDSACASA-N 1 0 240.416 3.792 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C(C)(C)CC)CCO1 ZINC000850356028 588538496 /nfs/dbraw/zinc/53/84/96/588538496.db2.gz MZCYXWCUSOTLQW-BFHYXJOUSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)C(C)(C)CC)CCO1 ZINC000850356042 588538684 /nfs/dbraw/zinc/53/86/84/588538684.db2.gz MZCYXWCUSOTLQW-HZSPNIEDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)C(C)(C)CC)CCO1 ZINC000850356043 588538561 /nfs/dbraw/zinc/53/85/61/588538561.db2.gz MZCYXWCUSOTLQW-MELADBBJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)C(C)(C)CC)CCO1 ZINC000850356045 588538371 /nfs/dbraw/zinc/53/83/71/588538371.db2.gz MZCYXWCUSOTLQW-MGPQQGTHSA-N 1 0 241.419 3.606 20 0 BHADRO Cc1ccncc1CC[NH2+]C1CCCCCCC1 ZINC000850356194 588538527 /nfs/dbraw/zinc/53/85/27/588538527.db2.gz SGSNOLTUNYPTEW-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO C1=C[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000850358466 588539420 /nfs/dbraw/zinc/53/94/20/588539420.db2.gz PKZKIBUBFNPCOU-AWEZNQCLSA-N 1 0 239.318 3.755 20 0 BHADRO C1=C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000850358467 588539479 /nfs/dbraw/zinc/53/94/79/588539479.db2.gz PKZKIBUBFNPCOU-CQSZACIVSA-N 1 0 239.318 3.755 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+][C@@H]2C=CCC2)s1 ZINC000850358527 588539231 /nfs/dbraw/zinc/53/92/31/588539231.db2.gz FQFHIEADQJRGHD-MRVPVSSYSA-N 1 0 247.285 3.575 20 0 BHADRO FC(F)(F)c1ccc(C[NH2+][C@H]2C=CCC2)s1 ZINC000850358531 588539473 /nfs/dbraw/zinc/53/94/73/588539473.db2.gz FQFHIEADQJRGHD-QMMMGPOBSA-N 1 0 247.285 3.575 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C=CCC1)c1cccc(Cl)c1 ZINC000850358576 588539015 /nfs/dbraw/zinc/53/90/15/588539015.db2.gz GOJDJJVWBJGCFM-BXUZGUMPSA-N 1 0 235.758 3.752 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C=CCC1)c1cccc(Cl)c1 ZINC000850358577 588539262 /nfs/dbraw/zinc/53/92/62/588539262.db2.gz GOJDJJVWBJGCFM-FZMZJTMJSA-N 1 0 235.758 3.752 20 0 BHADRO C[C@H](C[NH2+][C@H]1C=CCC1)c1cccc(Cl)c1 ZINC000850358578 588539325 /nfs/dbraw/zinc/53/93/25/588539325.db2.gz GOJDJJVWBJGCFM-RISCZKNCSA-N 1 0 235.758 3.752 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C=CCC1)c1cccc(Cl)c1 ZINC000850358580 588539206 /nfs/dbraw/zinc/53/92/06/588539206.db2.gz GOJDJJVWBJGCFM-SMDDNHRTSA-N 1 0 235.758 3.752 20 0 BHADRO C1=C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000850358638 588539414 /nfs/dbraw/zinc/53/94/14/588539414.db2.gz ILBNDFNOVJKZMJ-GFCCVEGCSA-N 1 0 248.395 3.609 20 0 BHADRO C1=C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000850358639 588539488 /nfs/dbraw/zinc/53/94/88/588539488.db2.gz ILBNDFNOVJKZMJ-LBPRGKRZSA-N 1 0 248.395 3.609 20 0 BHADRO Clc1scc(C[NH2+][C@@H]2C=CCC2)c1Cl ZINC000850358665 588539042 /nfs/dbraw/zinc/53/90/42/588539042.db2.gz JCKPMGRAMJWESY-MRVPVSSYSA-N 1 0 248.178 3.863 20 0 BHADRO Clc1scc(C[NH2+][C@H]2C=CCC2)c1Cl ZINC000850358667 588539320 /nfs/dbraw/zinc/53/93/20/588539320.db2.gz JCKPMGRAMJWESY-QMMMGPOBSA-N 1 0 248.178 3.863 20 0 BHADRO CCSc1cccc(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850358927 632971133 /nfs/dbraw/zinc/97/11/33/632971133.db2.gz PAVQOGXJMUHFOM-CYBMUJFWSA-N 1 0 233.380 3.607 20 0 BHADRO CCSc1cccc(C[NH2+][C@H]2C=CCC2)c1 ZINC000850358928 632970821 /nfs/dbraw/zinc/97/08/21/632970821.db2.gz PAVQOGXJMUHFOM-ZDUSSCGKSA-N 1 0 233.380 3.607 20 0 BHADRO C1=C[C@@H]([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000850359035 588540005 /nfs/dbraw/zinc/54/00/05/588540005.db2.gz UFACLXPNSVHXHX-GFCCVEGCSA-N 1 0 229.348 3.710 20 0 BHADRO C1=C[C@H]([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000850359036 588539848 /nfs/dbraw/zinc/53/98/48/588539848.db2.gz UFACLXPNSVHXHX-LBPRGKRZSA-N 1 0 229.348 3.710 20 0 BHADRO C1=C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000850359199 588539973 /nfs/dbraw/zinc/53/99/73/588539973.db2.gz ZVZAQVLBSQPIBV-HRCADAONSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000850359200 588539906 /nfs/dbraw/zinc/53/99/06/588539906.db2.gz ZVZAQVLBSQPIBV-JYJNAYRXSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000850359201 588539640 /nfs/dbraw/zinc/53/96/40/588539640.db2.gz ZVZAQVLBSQPIBV-OWCLPIDISA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000850359202 588539926 /nfs/dbraw/zinc/53/99/26/588539926.db2.gz ZVZAQVLBSQPIBV-PMPSAXMXSA-N 1 0 227.351 3.631 20 0 BHADRO Clc1cccc2c1C[C@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000850359574 588540050 /nfs/dbraw/zinc/54/00/50/588540050.db2.gz KWQFBQPZJTXFPK-CHWSQXEVSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1cccc2c1C[C@@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000850359575 588540011 /nfs/dbraw/zinc/54/00/11/588540011.db2.gz KWQFBQPZJTXFPK-OLZOCXBDSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1cccc2c1C[C@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000850359576 588539700 /nfs/dbraw/zinc/53/97/00/588539700.db2.gz KWQFBQPZJTXFPK-QWHCGFSZSA-N 1 0 247.769 3.506 20 0 BHADRO Clc1cccc2c1C[C@@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000850359577 588539637 /nfs/dbraw/zinc/53/96/37/588539637.db2.gz KWQFBQPZJTXFPK-STQMWFEESA-N 1 0 247.769 3.506 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+][C@@H]1C=CCC1 ZINC000850360097 588540507 /nfs/dbraw/zinc/54/05/07/588540507.db2.gz ZOVFVYYYHUZEPY-SECBINFHSA-N 1 0 247.285 3.575 20 0 BHADRO FC(F)(F)c1cscc1C[NH2+][C@H]1C=CCC1 ZINC000850360098 588540326 /nfs/dbraw/zinc/54/03/26/588540326.db2.gz ZOVFVYYYHUZEPY-VIFPVBQESA-N 1 0 247.285 3.575 20 0 BHADRO CC(C)[C@H]([NH2+]Cc1ccoc1)c1ccccc1F ZINC000850362921 588540610 /nfs/dbraw/zinc/54/06/10/588540610.db2.gz VHFQSYYWXIMNFI-HNNXBMFYSA-N 1 0 247.313 3.906 20 0 BHADRO CC(C)[C@@H]([NH2+]Cc1ccoc1)c1ccccc1F ZINC000850362922 588540557 /nfs/dbraw/zinc/54/05/57/588540557.db2.gz VHFQSYYWXIMNFI-OAHLLOKOSA-N 1 0 247.313 3.906 20 0 BHADRO CC[C@@H]([NH2+]Cc1cnc(C(C)C)s1)C1CC1 ZINC000850381562 588542840 /nfs/dbraw/zinc/54/28/40/588542840.db2.gz FWRCVNOTGGJZBZ-GFCCVEGCSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@H]([NH2+]Cc1cnc(C(C)C)s1)C1CC1 ZINC000850381563 588542434 /nfs/dbraw/zinc/54/24/34/588542434.db2.gz FWRCVNOTGGJZBZ-LBPRGKRZSA-N 1 0 238.400 3.545 20 0 BHADRO CC[C@](C)([NH2+]Cc1cc(C)oc1C)C1CC1 ZINC000850384372 588542574 /nfs/dbraw/zinc/54/25/74/588542574.db2.gz UARXZZIFTFGZHK-AWEZNQCLSA-N 1 0 221.344 3.565 20 0 BHADRO CC[C@@](C)([NH2+]Cc1cc(C)oc1C)C1CC1 ZINC000850384373 588542657 /nfs/dbraw/zinc/54/26/57/588542657.db2.gz UARXZZIFTFGZHK-CQSZACIVSA-N 1 0 221.344 3.565 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@]2(C)CC2(C)C)s1 ZINC000850398962 588544186 /nfs/dbraw/zinc/54/41/86/588544186.db2.gz FMJLCCNHCNONCP-CYBMUJFWSA-N 1 0 238.400 3.545 20 0 BHADRO CC(C)c1ncc(C[NH2+][C@@]2(C)CC2(C)C)s1 ZINC000850398963 588544510 /nfs/dbraw/zinc/54/45/10/588544510.db2.gz FMJLCCNHCNONCP-ZDUSSCGKSA-N 1 0 238.400 3.545 20 0 BHADRO Cc1cc(C[NH2+]C(C)(C2CC2)C2CC2)c(C)o1 ZINC000850399017 588544344 /nfs/dbraw/zinc/54/43/44/588544344.db2.gz UBJBRMQBUVUJRO-UHFFFAOYSA-N 1 0 233.355 3.565 20 0 BHADRO Cc1cc(C[NH2+]C2(CC(C)C)CC2)c(C)o1 ZINC000850404217 588544354 /nfs/dbraw/zinc/54/43/54/588544354.db2.gz ASVRTFLEMBEWAJ-UHFFFAOYSA-N 1 0 221.344 3.565 20 0 BHADRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccoc1 ZINC000850412497 588545094 /nfs/dbraw/zinc/54/50/94/588545094.db2.gz ZQLOYWDWZUDYCL-INIZCTEOSA-N 1 0 241.334 3.755 20 0 BHADRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccoc1 ZINC000850412498 588545157 /nfs/dbraw/zinc/54/51/57/588545157.db2.gz ZQLOYWDWZUDYCL-MRXNPFEDSA-N 1 0 241.334 3.755 20 0 BHADRO FCC1(CF)CC([NH2+]C2CCCCCCC2)C1 ZINC000850420167 588544856 /nfs/dbraw/zinc/54/48/56/588544856.db2.gz HOSUPHXJLRHJHK-UHFFFAOYSA-N 1 0 245.357 3.777 20 0 BHADRO CCCCCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850420470 588544914 /nfs/dbraw/zinc/54/49/14/588544914.db2.gz KUFCWFFMDNWMCR-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CCCCCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850420471 588545142 /nfs/dbraw/zinc/54/51/42/588545142.db2.gz KUFCWFFMDNWMCR-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850420978 588545582 /nfs/dbraw/zinc/54/55/82/588545582.db2.gz PXCOHYFPERUFOK-GFCCVEGCSA-N 1 0 245.366 3.605 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850420979 588545420 /nfs/dbraw/zinc/54/54/20/588545420.db2.gz PXCOHYFPERUFOK-LBPRGKRZSA-N 1 0 245.366 3.605 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000850421452 588545664 /nfs/dbraw/zinc/54/56/64/588545664.db2.gz VPJKEMXLIYQSIG-LLVKDONJSA-N 1 0 233.346 3.633 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000850421457 588545409 /nfs/dbraw/zinc/54/54/09/588545409.db2.gz VPJKEMXLIYQSIG-NSHDSACASA-N 1 0 233.346 3.633 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000850421565 588545609 /nfs/dbraw/zinc/54/56/09/588545609.db2.gz YROZFDFQTFULAH-KBPBESRZSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000850421566 588545410 /nfs/dbraw/zinc/54/54/10/588545410.db2.gz YROZFDFQTFULAH-KGLIPLIRSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000850421567 588545341 /nfs/dbraw/zinc/54/53/41/588545341.db2.gz YROZFDFQTFULAH-UONOGXRCSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000850421568 588545700 /nfs/dbraw/zinc/54/57/00/588545700.db2.gz YROZFDFQTFULAH-ZIAGYGMSSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000850421652 588545330 /nfs/dbraw/zinc/54/53/30/588545330.db2.gz XJICTFVSXCCWQH-NEPJUHHUSA-N 1 0 235.412 3.636 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)CSCCF ZINC000850421654 588545605 /nfs/dbraw/zinc/54/56/05/588545605.db2.gz XJICTFVSXCCWQH-NWDGAFQWSA-N 1 0 235.412 3.636 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000850421655 588545708 /nfs/dbraw/zinc/54/57/08/588545708.db2.gz XJICTFVSXCCWQH-RYUDHWBXSA-N 1 0 235.412 3.636 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000850421656 588545677 /nfs/dbraw/zinc/54/56/77/588545677.db2.gz XJICTFVSXCCWQH-VXGBXAGGSA-N 1 0 235.412 3.636 20 0 BHADRO C[C@H](C[NH2+][C@H]1CCCC12CC2)c1cccc(F)c1 ZINC000850428894 588545422 /nfs/dbraw/zinc/54/54/22/588545422.db2.gz MVUQYNXPFGHZHS-DOMZBBRYSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](C[NH2+][C@@H]1CCCC12CC2)c1cccc(F)c1 ZINC000850428895 588545633 /nfs/dbraw/zinc/54/56/33/588545633.db2.gz MVUQYNXPFGHZHS-IUODEOHRSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)c1cccc(F)c1 ZINC000850428896 588545430 /nfs/dbraw/zinc/54/54/30/588545430.db2.gz MVUQYNXPFGHZHS-SWLSCSKDSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@@H](C[NH2+][C@H]1CCCC12CC2)c1cccc(F)c1 ZINC000850428897 588545437 /nfs/dbraw/zinc/54/54/37/588545437.db2.gz MVUQYNXPFGHZHS-WFASDCNBSA-N 1 0 247.357 3.852 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850433296 588546120 /nfs/dbraw/zinc/54/61/20/588546120.db2.gz HVLNFWYJTDMZTJ-GHMZBOCLSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850433297 588546054 /nfs/dbraw/zinc/54/60/54/588546054.db2.gz HVLNFWYJTDMZTJ-MNOVXSKESA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850433299 588546119 /nfs/dbraw/zinc/54/61/19/588546119.db2.gz HVLNFWYJTDMZTJ-QWRGUYRKSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cc2cnccc2o1 ZINC000850433301 588546141 /nfs/dbraw/zinc/54/61/41/588546141.db2.gz HVLNFWYJTDMZTJ-WDEREUQCSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(C)(C)C(F)F ZINC000850434433 588546131 /nfs/dbraw/zinc/54/61/31/588546131.db2.gz ATGDNMPSWBCLRS-NXEZZACHSA-N 1 0 235.362 3.938 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C(C)(C)C ZINC000850434445 588546134 /nfs/dbraw/zinc/54/61/34/588546134.db2.gz ATGDNMPSWBCLRS-UWVGGRQHSA-N 1 0 235.362 3.938 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C(C)(C)C ZINC000850434448 588546110 /nfs/dbraw/zinc/54/61/10/588546110.db2.gz ATGDNMPSWBCLRS-VHSXEESVSA-N 1 0 235.362 3.938 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C(C)(C)C ZINC000850434450 588546265 /nfs/dbraw/zinc/54/62/65/588546265.db2.gz ATGDNMPSWBCLRS-ZJUUUORDSA-N 1 0 235.362 3.938 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@H]1CCCC12CC2 ZINC000850435634 588546408 /nfs/dbraw/zinc/54/64/08/588546408.db2.gz AFVRLMPYKZJCMT-AWEZNQCLSA-N 1 0 233.330 3.556 20 0 BHADRO Cc1cccc(F)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000850435640 588546445 /nfs/dbraw/zinc/54/64/45/588546445.db2.gz AFVRLMPYKZJCMT-CQSZACIVSA-N 1 0 233.330 3.556 20 0 BHADRO CSC(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850440179 588545721 /nfs/dbraw/zinc/54/57/21/588545721.db2.gz YAJYHTKIONMNBI-GRYCIOLGSA-N 1 0 241.444 3.542 20 0 BHADRO CSC(C)(C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850440180 588545686 /nfs/dbraw/zinc/54/56/86/588545686.db2.gz YAJYHTKIONMNBI-WOPDTQHZSA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]([NH2+]CCC1CCC1)c1cc2cnccc2o1 ZINC000850443151 588546881 /nfs/dbraw/zinc/54/68/81/588546881.db2.gz BEKGVUQXGNRFPT-LLVKDONJSA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+]CCC1CCC1)c1cc2cnccc2o1 ZINC000850443154 588546957 /nfs/dbraw/zinc/54/69/57/588546957.db2.gz BEKGVUQXGNRFPT-NSHDSACASA-N 1 0 244.338 3.669 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445219 588547018 /nfs/dbraw/zinc/54/70/18/588547018.db2.gz QIEWIPPBWPCPGF-AAEUAGOBSA-N 1 0 242.322 3.587 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445220 588547070 /nfs/dbraw/zinc/54/70/70/588547070.db2.gz QIEWIPPBWPCPGF-DGCLKSJQSA-N 1 0 242.322 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445221 588546996 /nfs/dbraw/zinc/54/69/96/588546996.db2.gz QIEWIPPBWPCPGF-WCQYABFASA-N 1 0 242.322 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445222 588547262 /nfs/dbraw/zinc/54/72/62/588547262.db2.gz QIEWIPPBWPCPGF-YPMHNXCESA-N 1 0 242.322 3.587 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc2cnccc2o1 ZINC000850450309 588547358 /nfs/dbraw/zinc/54/73/58/588547358.db2.gz DYMDWIJMBBGCLF-GHMZBOCLSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc2cnccc2o1 ZINC000850450310 588547561 /nfs/dbraw/zinc/54/75/61/588547561.db2.gz DYMDWIJMBBGCLF-MNOVXSKESA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc2cnccc2o1 ZINC000850450311 588547606 /nfs/dbraw/zinc/54/76/06/588547606.db2.gz DYMDWIJMBBGCLF-QWRGUYRKSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C1(C)CC1 ZINC000850450312 588547348 /nfs/dbraw/zinc/54/73/48/588547348.db2.gz DYMDWIJMBBGCLF-WDEREUQCSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000850462510 588548541 /nfs/dbraw/zinc/54/85/41/588548541.db2.gz PPJYFMVDDNHYTQ-MDZLAQPJSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000850462511 588548617 /nfs/dbraw/zinc/54/86/17/588548617.db2.gz PPJYFMVDDNHYTQ-NQBHXWOUSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000850462512 588548259 /nfs/dbraw/zinc/54/82/59/588548259.db2.gz PPJYFMVDDNHYTQ-NTZNESFSSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000850462513 588548498 /nfs/dbraw/zinc/54/84/98/588548498.db2.gz PPJYFMVDDNHYTQ-WZRBSPASSA-N 1 0 244.338 3.667 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850464452 588548583 /nfs/dbraw/zinc/54/85/83/588548583.db2.gz HMFCPFPZBPUWKM-CYBMUJFWSA-N 1 0 245.366 3.628 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850464454 588548509 /nfs/dbraw/zinc/54/85/09/588548509.db2.gz HMFCPFPZBPUWKM-ZDUSSCGKSA-N 1 0 245.366 3.628 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc2cnccc2o1 ZINC000850469145 588548884 /nfs/dbraw/zinc/54/88/84/588548884.db2.gz PPDFKFDWJLWRPJ-HZMBPMFUSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc2cnccc2o1 ZINC000850469146 588549299 /nfs/dbraw/zinc/54/92/99/588549299.db2.gz PPDFKFDWJLWRPJ-IINYFYTJSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc2cnccc2o1 ZINC000850469147 588549290 /nfs/dbraw/zinc/54/92/90/588549290.db2.gz PPDFKFDWJLWRPJ-QMTHXVAHSA-N 1 0 244.338 3.667 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc2cnccc2o1 ZINC000850469148 588548876 /nfs/dbraw/zinc/54/88/76/588548876.db2.gz PPDFKFDWJLWRPJ-YGRLFVJLSA-N 1 0 244.338 3.667 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850470854 588549202 /nfs/dbraw/zinc/54/92/02/588549202.db2.gz HUTLIHIJAGHCSS-GFCCVEGCSA-N 1 0 245.366 3.605 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850470855 588548881 /nfs/dbraw/zinc/54/88/81/588548881.db2.gz HUTLIHIJAGHCSS-LBPRGKRZSA-N 1 0 245.366 3.605 20 0 BHADRO CC[C@@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850474424 588549568 /nfs/dbraw/zinc/54/95/68/588549568.db2.gz MMJOOLONJOADLU-GHMZBOCLSA-N 1 0 232.327 3.525 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850474425 588549626 /nfs/dbraw/zinc/54/96/26/588549626.db2.gz MMJOOLONJOADLU-MNOVXSKESA-N 1 0 232.327 3.525 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850474426 588549442 /nfs/dbraw/zinc/54/94/42/588549442.db2.gz MMJOOLONJOADLU-QWRGUYRKSA-N 1 0 232.327 3.525 20 0 BHADRO CC[C@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850474427 588549674 /nfs/dbraw/zinc/54/96/74/588549674.db2.gz MMJOOLONJOADLU-WDEREUQCSA-N 1 0 232.327 3.525 20 0 BHADRO C=COc1ccc(N[C@@H]2CCCSCC2)cc1 ZINC000850474537 588549526 /nfs/dbraw/zinc/54/95/26/588549526.db2.gz OOMWKDASSCCUOQ-GFCCVEGCSA-N 1 0 249.379 3.907 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC23CC3)C[C@]1(F)Cl ZINC000850475909 588549713 /nfs/dbraw/zinc/54/97/13/588549713.db2.gz FEOGSRCISWNULW-GMXVVIOVSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC23CC3)C[C@@]1(F)Cl ZINC000850475910 588549480 /nfs/dbraw/zinc/54/94/80/588549480.db2.gz FEOGSRCISWNULW-GVXVVHGQSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC23CC3)C[C@@]1(F)Cl ZINC000850475911 588549406 /nfs/dbraw/zinc/54/94/06/588549406.db2.gz FEOGSRCISWNULW-MDZLAQPJSA-N 1 0 245.769 3.613 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC23CC3)C[C@]1(F)Cl ZINC000850475912 588549736 /nfs/dbraw/zinc/54/97/36/588549736.db2.gz FEOGSRCISWNULW-NTZNESFSSA-N 1 0 245.769 3.613 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC1CC(OC)C1 ZINC000850482500 588551342 /nfs/dbraw/zinc/55/13/42/588551342.db2.gz STZMGMYBGVOTTP-NFOMZHRRSA-N 1 0 241.419 3.750 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC1CC(OC)C1 ZINC000850482503 588551635 /nfs/dbraw/zinc/55/16/35/588551635.db2.gz STZMGMYBGVOTTP-WLYUNCDWSA-N 1 0 241.419 3.750 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H]1C ZINC000850484195 588551853 /nfs/dbraw/zinc/55/18/53/588551853.db2.gz DVHSSLQCHHOCDT-DFBGVHRSSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000850484196 588551683 /nfs/dbraw/zinc/55/16/83/588551683.db2.gz DVHSSLQCHHOCDT-GLQYFDAESA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000850484197 588551476 /nfs/dbraw/zinc/55/14/76/588551476.db2.gz DVHSSLQCHHOCDT-KCPJHIHWSA-N 1 0 235.346 3.535 20 0 BHADRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000850484198 588551458 /nfs/dbraw/zinc/55/14/58/588551458.db2.gz DVHSSLQCHHOCDT-NILFDRSVSA-N 1 0 235.346 3.535 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)CC ZINC000850504742 588552564 /nfs/dbraw/zinc/55/25/64/588552564.db2.gz DNGTUXXRADMSMM-GHMZBOCLSA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)CC ZINC000850504743 588552909 /nfs/dbraw/zinc/55/29/09/588552909.db2.gz DNGTUXXRADMSMM-MNOVXSKESA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)CC ZINC000850504744 588552885 /nfs/dbraw/zinc/55/28/85/588552885.db2.gz DNGTUXXRADMSMM-QWRGUYRKSA-N 1 0 238.375 3.632 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)CC ZINC000850504745 588552773 /nfs/dbraw/zinc/55/27/73/588552773.db2.gz DNGTUXXRADMSMM-WDEREUQCSA-N 1 0 238.375 3.632 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cccnc1Cl ZINC000850505264 588552568 /nfs/dbraw/zinc/55/25/68/588552568.db2.gz QKGHPANOIJONJP-GHMZBOCLSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000850505265 588552810 /nfs/dbraw/zinc/55/28/10/588552810.db2.gz QKGHPANOIJONJP-MNOVXSKESA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000850505266 588552668 /nfs/dbraw/zinc/55/26/68/588552668.db2.gz QKGHPANOIJONJP-QWRGUYRKSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cccnc1Cl ZINC000850505267 588552495 /nfs/dbraw/zinc/55/24/95/588552495.db2.gz QKGHPANOIJONJP-WDEREUQCSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000850505385 588552720 /nfs/dbraw/zinc/55/27/20/588552720.db2.gz QUVKURTUXHGOBK-GHMZBOCLSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000850505386 588552485 /nfs/dbraw/zinc/55/24/85/588552485.db2.gz QUVKURTUXHGOBK-MNOVXSKESA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000850505387 588552842 /nfs/dbraw/zinc/55/28/42/588552842.db2.gz QUVKURTUXHGOBK-QWRGUYRKSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000850505388 588552829 /nfs/dbraw/zinc/55/28/29/588552829.db2.gz QUVKURTUXHGOBK-WDEREUQCSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000850505683 588552505 /nfs/dbraw/zinc/55/25/05/588552505.db2.gz VRJWOHSYBUBZHM-GHMZBOCLSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000850505684 588552981 /nfs/dbraw/zinc/55/29/81/588552981.db2.gz VRJWOHSYBUBZHM-MNOVXSKESA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000850505685 588552795 /nfs/dbraw/zinc/55/27/95/588552795.db2.gz VRJWOHSYBUBZHM-QWRGUYRKSA-N 1 0 240.778 3.822 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000850505686 588552661 /nfs/dbraw/zinc/55/26/61/588552661.db2.gz VRJWOHSYBUBZHM-WDEREUQCSA-N 1 0 240.778 3.822 20 0 BHADRO CSCC1(CC[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000850506115 588552603 /nfs/dbraw/zinc/55/26/03/588552603.db2.gz FVIUKMPJRPURKO-GFCCVEGCSA-N 1 0 243.460 3.934 20 0 BHADRO CSCC1(CC[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000850506116 588552845 /nfs/dbraw/zinc/55/28/45/588552845.db2.gz FVIUKMPJRPURKO-LBPRGKRZSA-N 1 0 243.460 3.934 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1C=CCC1 ZINC000850506217 588552584 /nfs/dbraw/zinc/55/25/84/588552584.db2.gz CPNKWNOCWZBROK-AAEUAGOBSA-N 1 0 219.303 3.503 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850506218 588552750 /nfs/dbraw/zinc/55/27/50/588552750.db2.gz CPNKWNOCWZBROK-DGCLKSJQSA-N 1 0 219.303 3.503 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850506219 588552526 /nfs/dbraw/zinc/55/25/26/588552526.db2.gz CPNKWNOCWZBROK-WCQYABFASA-N 1 0 219.303 3.503 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1C=CCC1 ZINC000850506220 588552621 /nfs/dbraw/zinc/55/26/21/588552621.db2.gz CPNKWNOCWZBROK-YPMHNXCESA-N 1 0 219.303 3.503 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+][C@H]1C=CCC1)C1CC1 ZINC000850506369 588553381 /nfs/dbraw/zinc/55/33/81/588553381.db2.gz ABHHVTHJKDQNAU-DLBZAZTESA-N 1 0 241.378 3.624 20 0 BHADRO Cc1ccccc1C[C@@H]([NH2+][C@@H]1C=CCC1)C1CC1 ZINC000850506370 588553300 /nfs/dbraw/zinc/55/33/00/588553300.db2.gz ABHHVTHJKDQNAU-IAGOWNOFSA-N 1 0 241.378 3.624 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@H]1C=CCC1)C1CC1 ZINC000850506371 588553191 /nfs/dbraw/zinc/55/31/91/588553191.db2.gz ABHHVTHJKDQNAU-IRXDYDNUSA-N 1 0 241.378 3.624 20 0 BHADRO Cc1ccccc1C[C@H]([NH2+][C@@H]1C=CCC1)C1CC1 ZINC000850506372 588553398 /nfs/dbraw/zinc/55/33/98/588553398.db2.gz ABHHVTHJKDQNAU-SJORKVTESA-N 1 0 241.378 3.624 20 0 BHADRO C[C@H]([NH2+]C[C@]1(C)CC[C@H](C)C1(C)C)c1ncc[nH]1 ZINC000850506751 588553105 /nfs/dbraw/zinc/55/31/05/588553105.db2.gz LFCYHUVDTWZBAH-HUBLWGQQSA-N 1 0 249.402 3.523 20 0 BHADRO C[C@@H]([NH2+]C[C@]1(C)CC[C@H](C)C1(C)C)c1ncc[nH]1 ZINC000850506752 588553395 /nfs/dbraw/zinc/55/33/95/588553395.db2.gz LFCYHUVDTWZBAH-ZOWXZIJZSA-N 1 0 249.402 3.523 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000850506843 588553186 /nfs/dbraw/zinc/55/31/86/588553186.db2.gz GKGAJQJTBIINIQ-FVCCEPFGSA-N 1 0 233.380 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000850506844 588553519 /nfs/dbraw/zinc/55/35/19/588553519.db2.gz GKGAJQJTBIINIQ-MROQNXINSA-N 1 0 233.380 3.548 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000850506846 588553482 /nfs/dbraw/zinc/55/34/82/588553482.db2.gz GKGAJQJTBIINIQ-QNWHQSFQSA-N 1 0 233.380 3.548 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000850506847 588553194 /nfs/dbraw/zinc/55/31/94/588553194.db2.gz GKGAJQJTBIINIQ-ZDEQEGDKSA-N 1 0 233.380 3.548 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2C=CCC2)cc1 ZINC000850507296 588553218 /nfs/dbraw/zinc/55/32/18/588553218.db2.gz DZFSRYRGXLHVFB-HRCADAONSA-N 1 0 245.341 3.770 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2C=CCC2)cc1 ZINC000850507304 588553354 /nfs/dbraw/zinc/55/33/54/588553354.db2.gz DZFSRYRGXLHVFB-JYJNAYRXSA-N 1 0 245.341 3.770 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C=CCC2)cc1 ZINC000850507305 588553596 /nfs/dbraw/zinc/55/35/96/588553596.db2.gz DZFSRYRGXLHVFB-OWCLPIDISA-N 1 0 245.341 3.770 20 0 BHADRO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C=CCC2)cc1 ZINC000850507308 588553233 /nfs/dbraw/zinc/55/32/33/588553233.db2.gz DZFSRYRGXLHVFB-PMPSAXMXSA-N 1 0 245.341 3.770 20 0 BHADRO C1=C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000850507317 588553119 /nfs/dbraw/zinc/55/31/19/588553119.db2.gz FHOQZFDBFGOVMR-CVEARBPZSA-N 1 0 227.351 3.836 20 0 BHADRO C1=C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000850507319 588553514 /nfs/dbraw/zinc/55/35/14/588553514.db2.gz FHOQZFDBFGOVMR-HOTGVXAUSA-N 1 0 227.351 3.836 20 0 BHADRO C1=C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000850507320 588553499 /nfs/dbraw/zinc/55/34/99/588553499.db2.gz FHOQZFDBFGOVMR-HZPDHXFCSA-N 1 0 227.351 3.836 20 0 BHADRO C1=C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000850507322 588553114 /nfs/dbraw/zinc/55/31/14/588553114.db2.gz FHOQZFDBFGOVMR-JKSUJKDBSA-N 1 0 227.351 3.836 20 0 BHADRO COc1ccc([C@H]([NH2+][C@@H]2C=CCC2)C(C)C)cc1 ZINC000850507496 588553397 /nfs/dbraw/zinc/55/33/97/588553397.db2.gz FRBSGCFFPMZPSB-GDBMZVCRSA-N 1 0 245.366 3.701 20 0 BHADRO COc1ccc([C@H]([NH2+][C@H]2C=CCC2)C(C)C)cc1 ZINC000850507497 588553583 /nfs/dbraw/zinc/55/35/83/588553583.db2.gz FRBSGCFFPMZPSB-GOEBONIOSA-N 1 0 245.366 3.701 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@H]2C=CCC2)C(C)C)cc1 ZINC000850507498 588553304 /nfs/dbraw/zinc/55/33/04/588553304.db2.gz FRBSGCFFPMZPSB-HOCLYGCPSA-N 1 0 245.366 3.701 20 0 BHADRO COc1ccc([C@@H]([NH2+][C@@H]2C=CCC2)C(C)C)cc1 ZINC000850507499 588553286 /nfs/dbraw/zinc/55/32/86/588553286.db2.gz FRBSGCFFPMZPSB-ZBFHGGJFSA-N 1 0 245.366 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1cc2c(s1)CCC2 ZINC000850507549 588553490 /nfs/dbraw/zinc/55/34/90/588553490.db2.gz FUUMDURDPGREAB-CMPLNLGQSA-N 1 0 233.380 3.606 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1cc2c(s1)CCC2 ZINC000850507551 588553529 /nfs/dbraw/zinc/55/35/29/588553529.db2.gz FUUMDURDPGREAB-JQWIXIFHSA-N 1 0 233.380 3.606 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cc2c(s1)CCC2 ZINC000850507553 588553241 /nfs/dbraw/zinc/55/32/41/588553241.db2.gz FUUMDURDPGREAB-PWSUYJOCSA-N 1 0 233.380 3.606 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc2c(s1)CCC2 ZINC000850507554 588553447 /nfs/dbraw/zinc/55/34/47/588553447.db2.gz FUUMDURDPGREAB-ZYHUDNBSSA-N 1 0 233.380 3.606 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850507629 588553993 /nfs/dbraw/zinc/55/39/93/588553993.db2.gz GDQRHXRPBCKNSJ-GXTWGEPZSA-N 1 0 247.407 3.648 20 0 BHADRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1C=CCC1 ZINC000850507630 588553978 /nfs/dbraw/zinc/55/39/78/588553978.db2.gz GDQRHXRPBCKNSJ-JSGCOSHPSA-N 1 0 247.407 3.648 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1C=CCC1 ZINC000850507631 588553872 /nfs/dbraw/zinc/55/38/72/588553872.db2.gz GDQRHXRPBCKNSJ-OCCSQVGLSA-N 1 0 247.407 3.648 20 0 BHADRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850507632 588554182 /nfs/dbraw/zinc/55/41/82/588554182.db2.gz GDQRHXRPBCKNSJ-TZMCWYRMSA-N 1 0 247.407 3.648 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507733 588553950 /nfs/dbraw/zinc/55/39/50/588553950.db2.gz GKBPUUOEWSWDCZ-GXTWGEPZSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507738 588554069 /nfs/dbraw/zinc/55/40/69/588554069.db2.gz GKBPUUOEWSWDCZ-JSGCOSHPSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507741 588554269 /nfs/dbraw/zinc/55/42/69/588554269.db2.gz GKBPUUOEWSWDCZ-OCCSQVGLSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507744 588554236 /nfs/dbraw/zinc/55/42/36/588554236.db2.gz GKBPUUOEWSWDCZ-TZMCWYRMSA-N 1 0 238.334 3.604 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000850507759 588554009 /nfs/dbraw/zinc/55/40/09/588554009.db2.gz PXCXHXJFXNVYRN-CHWSQXEVSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000850507761 588553968 /nfs/dbraw/zinc/55/39/68/588553968.db2.gz PXCXHXJFXNVYRN-OLZOCXBDSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000850507764 588553900 /nfs/dbraw/zinc/55/39/00/588553900.db2.gz PXCXHXJFXNVYRN-QWHCGFSZSA-N 1 0 241.444 3.544 20 0 BHADRO CSCC1(CC[NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000850507766 588554015 /nfs/dbraw/zinc/55/40/15/588554015.db2.gz PXCXHXJFXNVYRN-STQMWFEESA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000850508185 588553985 /nfs/dbraw/zinc/55/39/85/588553985.db2.gz IDRNTUZOMAJQBO-CMPLNLGQSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000850508188 588553983 /nfs/dbraw/zinc/55/39/83/588553983.db2.gz IDRNTUZOMAJQBO-JQWIXIFHSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000850508189 588554177 /nfs/dbraw/zinc/55/41/77/588554177.db2.gz IDRNTUZOMAJQBO-PWSUYJOCSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000850508191 588553975 /nfs/dbraw/zinc/55/39/75/588553975.db2.gz IDRNTUZOMAJQBO-ZYHUDNBSSA-N 1 0 229.314 3.509 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@H]2C=CCC2)c1C ZINC000850508211 588554217 /nfs/dbraw/zinc/55/42/17/588554217.db2.gz INPCRGPWASFMKE-KBPBESRZSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@H]2C=CCC2)c1C ZINC000850508212 588553828 /nfs/dbraw/zinc/55/38/28/588553828.db2.gz INPCRGPWASFMKE-KGLIPLIRSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1cccc([C@H](C)[NH2+][C@@H]2C=CCC2)c1C ZINC000850508214 588553944 /nfs/dbraw/zinc/55/39/44/588553944.db2.gz INPCRGPWASFMKE-UONOGXRCSA-N 1 0 215.340 3.673 20 0 BHADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1C ZINC000850508216 588554283 /nfs/dbraw/zinc/55/42/83/588554283.db2.gz INPCRGPWASFMKE-ZIAGYGMSSA-N 1 0 215.340 3.673 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(C2CC2)c1 ZINC000850508308 588553967 /nfs/dbraw/zinc/55/39/67/588553967.db2.gz MMYHDQPYBXKHRN-BLLLJJGKSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(C2CC2)c1 ZINC000850508310 588553878 /nfs/dbraw/zinc/55/38/78/588553878.db2.gz MMYHDQPYBXKHRN-LRDDRELGSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(C2CC2)c1 ZINC000850508311 588553902 /nfs/dbraw/zinc/55/39/02/588553902.db2.gz MMYHDQPYBXKHRN-MLGOLLRUSA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(C2CC2)c1 ZINC000850508313 588553998 /nfs/dbraw/zinc/55/39/98/588553998.db2.gz MMYHDQPYBXKHRN-WBMJQRKESA-N 1 0 227.351 3.933 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1C=CCC1 ZINC000850508374 588553839 /nfs/dbraw/zinc/55/38/39/588553839.db2.gz NAJWXZQFOAEHIP-GXTWGEPZSA-N 1 0 241.334 3.672 20 0 BHADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1C=CCC1 ZINC000850508377 588553789 /nfs/dbraw/zinc/55/37/89/588553789.db2.gz NAJWXZQFOAEHIP-JSGCOSHPSA-N 1 0 241.334 3.672 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C=CCC1 ZINC000850508380 588553984 /nfs/dbraw/zinc/55/39/84/588553984.db2.gz NAJWXZQFOAEHIP-OCCSQVGLSA-N 1 0 241.334 3.672 20 0 BHADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1C=CCC1 ZINC000850508382 588553947 /nfs/dbraw/zinc/55/39/47/588553947.db2.gz NAJWXZQFOAEHIP-TZMCWYRMSA-N 1 0 241.334 3.672 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C=CCC1)CCC2 ZINC000850508872 588554232 /nfs/dbraw/zinc/55/42/32/588554232.db2.gz KNLSOOGKAPKXRU-DZGCQCFKSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=CCC1)CCC2 ZINC000850508874 588553896 /nfs/dbraw/zinc/55/38/96/588553896.db2.gz KNLSOOGKAPKXRU-HIFRSBDPSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C=CCC1)CCC2 ZINC000850508875 588553744 /nfs/dbraw/zinc/55/37/44/588553744.db2.gz KNLSOOGKAPKXRU-UKRRQHHQSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C=CCC1)CCC2 ZINC000850508876 588553948 /nfs/dbraw/zinc/55/39/48/588553948.db2.gz KNLSOOGKAPKXRU-ZFWWWQNUSA-N 1 0 231.314 3.511 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)C(C)(C)c1ccccc1 ZINC000850508891 588554207 /nfs/dbraw/zinc/55/42/07/588554207.db2.gz LAMWFDVGCFUOAC-DZGCQCFKSA-N 1 0 229.367 3.661 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)C(C)(C)c1ccccc1 ZINC000850508892 588554127 /nfs/dbraw/zinc/55/41/27/588554127.db2.gz LAMWFDVGCFUOAC-HIFRSBDPSA-N 1 0 229.367 3.661 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)C(C)(C)c1ccccc1 ZINC000850508893 588553992 /nfs/dbraw/zinc/55/39/92/588553992.db2.gz LAMWFDVGCFUOAC-UKRRQHHQSA-N 1 0 229.367 3.661 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)C(C)(C)c1ccccc1 ZINC000850508894 588554047 /nfs/dbraw/zinc/55/40/47/588554047.db2.gz LAMWFDVGCFUOAC-ZFWWWQNUSA-N 1 0 229.367 3.661 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@H]2C=CCC2)cc1C ZINC000850509306 588554483 /nfs/dbraw/zinc/55/44/83/588554483.db2.gz NAOMRAFBJLNFLF-KBPBESRZSA-N 1 0 245.366 3.681 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2C=CCC2)cc1C ZINC000850509308 588554845 /nfs/dbraw/zinc/55/48/45/588554845.db2.gz NAOMRAFBJLNFLF-KGLIPLIRSA-N 1 0 245.366 3.681 20 0 BHADRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2C=CCC2)cc1C ZINC000850509310 588554581 /nfs/dbraw/zinc/55/45/81/588554581.db2.gz NAOMRAFBJLNFLF-UONOGXRCSA-N 1 0 245.366 3.681 20 0 BHADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1C ZINC000850509312 588554691 /nfs/dbraw/zinc/55/46/91/588554691.db2.gz NAOMRAFBJLNFLF-ZIAGYGMSSA-N 1 0 245.366 3.681 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C=CCC2)c2sccc21 ZINC000850509508 588554514 /nfs/dbraw/zinc/55/45/14/588554514.db2.gz RCXAQRZORKECCA-MDZLAQPJSA-N 1 0 233.380 3.995 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C=CCC2)c2sccc21 ZINC000850509509 582922548 /nfs/dbraw/zinc/92/25/48/582922548.db2.gz RCXAQRZORKECCA-NQBHXWOUSA-N 1 0 233.380 3.995 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C=CCC2)c2sccc21 ZINC000850509510 582923079 /nfs/dbraw/zinc/92/30/79/582923079.db2.gz RCXAQRZORKECCA-NTZNESFSSA-N 1 0 233.380 3.995 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCC2)c2sccc21 ZINC000850509511 582922783 /nfs/dbraw/zinc/92/27/83/582922783.db2.gz RCXAQRZORKECCA-WZRBSPASSA-N 1 0 233.380 3.995 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@H]2C=CCC2)C2CCC2)o1 ZINC000850510063 588554782 /nfs/dbraw/zinc/55/47/82/588554782.db2.gz RDJZAZLGMVZLSA-DZGCQCFKSA-N 1 0 231.339 3.737 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@@H]2C=CCC2)C2CCC2)o1 ZINC000850510064 588554744 /nfs/dbraw/zinc/55/47/44/588554744.db2.gz RDJZAZLGMVZLSA-HIFRSBDPSA-N 1 0 231.339 3.737 20 0 BHADRO Cc1ccc([C@H]([NH2+][C@@H]2C=CCC2)C2CCC2)o1 ZINC000850510065 588554717 /nfs/dbraw/zinc/55/47/17/588554717.db2.gz RDJZAZLGMVZLSA-UKRRQHHQSA-N 1 0 231.339 3.737 20 0 BHADRO Cc1ccc([C@@H]([NH2+][C@H]2C=CCC2)C2CCC2)o1 ZINC000850510066 588554868 /nfs/dbraw/zinc/55/48/68/588554868.db2.gz RDJZAZLGMVZLSA-ZFWWWQNUSA-N 1 0 231.339 3.737 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1C=CCC1 ZINC000850510101 588554658 /nfs/dbraw/zinc/55/46/58/588554658.db2.gz RVTUUOJCSNYEIW-DZGCQCFKSA-N 1 0 243.350 3.517 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000850510102 588554928 /nfs/dbraw/zinc/55/49/28/588554928.db2.gz RVTUUOJCSNYEIW-HIFRSBDPSA-N 1 0 243.350 3.517 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000850510103 588554636 /nfs/dbraw/zinc/55/46/36/588554636.db2.gz RVTUUOJCSNYEIW-UKRRQHHQSA-N 1 0 243.350 3.517 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510158 588554525 /nfs/dbraw/zinc/55/45/25/588554525.db2.gz VPVITXGKENNLFN-GXTWGEPZSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510159 588554566 /nfs/dbraw/zinc/55/45/66/588554566.db2.gz VPVITXGKENNLFN-JSGCOSHPSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510160 588554813 /nfs/dbraw/zinc/55/48/13/588554813.db2.gz VPVITXGKENNLFN-OCCSQVGLSA-N 1 0 238.334 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510161 588554852 /nfs/dbraw/zinc/55/48/52/588554852.db2.gz VPVITXGKENNLFN-TZMCWYRMSA-N 1 0 238.334 3.604 20 0 BHADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000850510274 588554555 /nfs/dbraw/zinc/55/45/55/588554555.db2.gz RVTUUOJCSNYEIW-ZFWWWQNUSA-N 1 0 243.350 3.517 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccsc1 ZINC000850510338 582923400 /nfs/dbraw/zinc/92/34/00/582923400.db2.gz SQYLYGNBKBHKHT-CHWSQXEVSA-N 1 0 221.369 3.898 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C=CCC1)c1ccsc1 ZINC000850510342 582923555 /nfs/dbraw/zinc/92/35/55/582923555.db2.gz SQYLYGNBKBHKHT-OLZOCXBDSA-N 1 0 221.369 3.898 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C=CCC1)c1ccsc1 ZINC000850510345 582923431 /nfs/dbraw/zinc/92/34/31/582923431.db2.gz SQYLYGNBKBHKHT-QWHCGFSZSA-N 1 0 221.369 3.898 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C=CCC1)c1ccsc1 ZINC000850510346 582923353 /nfs/dbraw/zinc/92/33/53/582923353.db2.gz SQYLYGNBKBHKHT-STQMWFEESA-N 1 0 221.369 3.898 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510587 588555521 /nfs/dbraw/zinc/55/55/21/588555521.db2.gz UXOGLHUAIYMGMD-DZGCQCFKSA-N 1 0 245.366 3.763 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510589 588555359 /nfs/dbraw/zinc/55/53/59/588555359.db2.gz UXOGLHUAIYMGMD-HIFRSBDPSA-N 1 0 245.366 3.763 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510591 588555230 /nfs/dbraw/zinc/55/52/30/588555230.db2.gz UXOGLHUAIYMGMD-UKRRQHHQSA-N 1 0 245.366 3.763 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510593 588555517 /nfs/dbraw/zinc/55/55/17/588555517.db2.gz UXOGLHUAIYMGMD-ZFWWWQNUSA-N 1 0 245.366 3.763 20 0 BHADRO C1=C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000850510605 588555525 /nfs/dbraw/zinc/55/55/25/588555525.db2.gz VIECHZLCJXDVCZ-ARFHVFGLSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000850510607 588555461 /nfs/dbraw/zinc/55/54/61/588555461.db2.gz VIECHZLCJXDVCZ-HRCADAONSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000850510609 588555431 /nfs/dbraw/zinc/55/54/31/588555431.db2.gz VIECHZLCJXDVCZ-JYJNAYRXSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000850510611 588555592 /nfs/dbraw/zinc/55/55/92/588555592.db2.gz VIECHZLCJXDVCZ-XHSDSOJGSA-N 1 0 227.351 3.631 20 0 BHADRO C1=C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000850510822 588555363 /nfs/dbraw/zinc/55/53/63/588555363.db2.gz YDFFIALFFIHZEZ-HLIUYOAVSA-N 1 0 249.398 3.565 20 0 BHADRO C1=C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000850510823 588555240 /nfs/dbraw/zinc/55/52/40/588555240.db2.gz YDFFIALFFIHZEZ-VQCLRJIVSA-N 1 0 249.398 3.565 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2C=CCC2)C1 ZINC000850510851 588555437 /nfs/dbraw/zinc/55/54/37/588555437.db2.gz WTEOTVVVOKJEPJ-AAEUAGOBSA-N 1 0 231.339 3.601 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2C=CCC2)C1 ZINC000850510852 588555246 /nfs/dbraw/zinc/55/52/46/588555246.db2.gz WTEOTVVVOKJEPJ-DGCLKSJQSA-N 1 0 231.339 3.601 20 0 BHADRO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2C=CCC2)C1 ZINC000850510853 588555605 /nfs/dbraw/zinc/55/56/05/588555605.db2.gz WTEOTVVVOKJEPJ-WCQYABFASA-N 1 0 231.339 3.601 20 0 BHADRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2C=CCC2)C1 ZINC000850510854 588555176 /nfs/dbraw/zinc/55/51/76/588555176.db2.gz WTEOTVVVOKJEPJ-YPMHNXCESA-N 1 0 231.339 3.601 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C=CCC1 ZINC000850511109 588555270 /nfs/dbraw/zinc/55/52/70/588555270.db2.gz ZKHKOEFVIAGHGV-DZGCQCFKSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000850511110 588555169 /nfs/dbraw/zinc/55/51/69/588555169.db2.gz ZKHKOEFVIAGHGV-HIFRSBDPSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000850511111 588555216 /nfs/dbraw/zinc/55/52/16/588555216.db2.gz ZKHKOEFVIAGHGV-UKRRQHHQSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000850511112 588555492 /nfs/dbraw/zinc/55/54/92/588555492.db2.gz ZKHKOEFVIAGHGV-ZFWWWQNUSA-N 1 0 231.314 3.511 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C=CCC1)CCS2 ZINC000850511405 588556042 /nfs/dbraw/zinc/55/60/42/588556042.db2.gz DNXSNUPDLXXYBJ-AAEUAGOBSA-N 1 0 249.354 3.671 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C=CCC1)CCS2 ZINC000850511406 588555846 /nfs/dbraw/zinc/55/58/46/588555846.db2.gz DNXSNUPDLXXYBJ-DGCLKSJQSA-N 1 0 249.354 3.671 20 0 BHADRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C=CCC1)CCS2 ZINC000850511407 588555965 /nfs/dbraw/zinc/55/59/65/588555965.db2.gz DNXSNUPDLXXYBJ-WCQYABFASA-N 1 0 249.354 3.671 20 0 BHADRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=CCC1)CCS2 ZINC000850511408 588555932 /nfs/dbraw/zinc/55/59/32/588555932.db2.gz DNXSNUPDLXXYBJ-YPMHNXCESA-N 1 0 249.354 3.671 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(OC)cc1 ZINC000850511620 588555790 /nfs/dbraw/zinc/55/57/90/588555790.db2.gz KDKSKBILJBOPAM-GDBMZVCRSA-N 1 0 245.366 3.845 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(OC)cc1 ZINC000850511621 588556185 /nfs/dbraw/zinc/55/61/85/588556185.db2.gz KDKSKBILJBOPAM-GOEBONIOSA-N 1 0 245.366 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(OC)cc1 ZINC000850511622 588555826 /nfs/dbraw/zinc/55/58/26/588555826.db2.gz KDKSKBILJBOPAM-HOCLYGCPSA-N 1 0 245.366 3.845 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(OC)cc1 ZINC000850511623 588555789 /nfs/dbraw/zinc/55/57/89/588555789.db2.gz KDKSKBILJBOPAM-ZBFHGGJFSA-N 1 0 245.366 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511655 588556026 /nfs/dbraw/zinc/55/60/26/588556026.db2.gz KOOSVUCWTZKYHQ-BXUZGUMPSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@H]([NH2+][C@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511656 588555936 /nfs/dbraw/zinc/55/59/36/588555936.db2.gz KOOSVUCWTZKYHQ-FZMZJTMJSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511657 588555781 /nfs/dbraw/zinc/55/57/81/588555781.db2.gz KOOSVUCWTZKYHQ-RISCZKNCSA-N 1 0 237.293 3.724 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511658 588555910 /nfs/dbraw/zinc/55/59/10/588555910.db2.gz KOOSVUCWTZKYHQ-SMDDNHRTSA-N 1 0 237.293 3.724 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850511955 588556172 /nfs/dbraw/zinc/55/61/72/588556172.db2.gz RORBHURBLGAZKW-GDBMZVCRSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850511956 588555917 /nfs/dbraw/zinc/55/59/17/588555917.db2.gz RORBHURBLGAZKW-GOEBONIOSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850511957 588555801 /nfs/dbraw/zinc/55/58/01/588555801.db2.gz RORBHURBLGAZKW-HOCLYGCPSA-N 1 0 229.367 3.624 20 0 BHADRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850511958 588556037 /nfs/dbraw/zinc/55/60/37/588556037.db2.gz RORBHURBLGAZKW-ZBFHGGJFSA-N 1 0 229.367 3.624 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850524320 588556855 /nfs/dbraw/zinc/55/68/55/588556855.db2.gz VWTHQGUZGVNDAM-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850524321 588557003 /nfs/dbraw/zinc/55/70/03/588557003.db2.gz VWTHQGUZGVNDAM-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850524322 588556802 /nfs/dbraw/zinc/55/68/02/588556802.db2.gz VWTHQGUZGVNDAM-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850524323 588557004 /nfs/dbraw/zinc/55/70/04/588557004.db2.gz VWTHQGUZGVNDAM-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850525173 588556801 /nfs/dbraw/zinc/55/68/01/588556801.db2.gz HDEVSJFFMDKNOE-CQDKDKBSSA-N 1 0 247.382 3.579 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850525174 588556881 /nfs/dbraw/zinc/55/68/81/588556881.db2.gz HDEVSJFFMDKNOE-GLQYFDAESA-N 1 0 247.382 3.579 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850525176 588557056 /nfs/dbraw/zinc/55/70/56/588557056.db2.gz HDEVSJFFMDKNOE-NILFDRSVSA-N 1 0 247.382 3.579 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850525178 588556901 /nfs/dbraw/zinc/55/69/01/588556901.db2.gz HDEVSJFFMDKNOE-TUKIKUTGSA-N 1 0 247.382 3.579 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850526233 588556978 /nfs/dbraw/zinc/55/69/78/588556978.db2.gz UPBKKGLSQFOROW-BFHYXJOUSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850526234 588556830 /nfs/dbraw/zinc/55/68/30/588556830.db2.gz UPBKKGLSQFOROW-IHRRRGAJSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850526235 588556775 /nfs/dbraw/zinc/55/67/75/588556775.db2.gz UPBKKGLSQFOROW-MELADBBJSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850526236 588556823 /nfs/dbraw/zinc/55/68/23/588556823.db2.gz UPBKKGLSQFOROW-MJBXVCDLSA-N 1 0 239.403 3.502 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850527416 588557509 /nfs/dbraw/zinc/55/75/09/588557509.db2.gz WYRDBACRNOGEMM-BYCMXARLSA-N 1 0 247.382 3.579 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850527417 588557522 /nfs/dbraw/zinc/55/75/22/588557522.db2.gz WYRDBACRNOGEMM-DFBGVHRSSA-N 1 0 247.382 3.579 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850527418 588557527 /nfs/dbraw/zinc/55/75/27/588557527.db2.gz WYRDBACRNOGEMM-KCPJHIHWSA-N 1 0 247.382 3.579 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850527419 588557493 /nfs/dbraw/zinc/55/74/93/588557493.db2.gz WYRDBACRNOGEMM-UGFHNGPFSA-N 1 0 247.382 3.579 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850528117 588557315 /nfs/dbraw/zinc/55/73/15/588557315.db2.gz FPXBPSMGWOXTRB-APHBMKBZSA-N 1 0 247.382 3.723 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850528118 588557383 /nfs/dbraw/zinc/55/73/83/588557383.db2.gz FPXBPSMGWOXTRB-MAZHCROVSA-N 1 0 247.382 3.723 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850528119 588557450 /nfs/dbraw/zinc/55/74/50/588557450.db2.gz FPXBPSMGWOXTRB-RCBQFDQVSA-N 1 0 247.382 3.723 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850528120 588557249 /nfs/dbraw/zinc/55/72/49/588557249.db2.gz FPXBPSMGWOXTRB-VBNZEHGJSA-N 1 0 247.382 3.723 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850528823 588557145 /nfs/dbraw/zinc/55/71/45/588557145.db2.gz LINWEVLYGNEMDL-APHBMKBZSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850528824 588557757 /nfs/dbraw/zinc/55/77/57/588557757.db2.gz LINWEVLYGNEMDL-MAZHCROVSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850528825 588557946 /nfs/dbraw/zinc/55/79/46/588557946.db2.gz LINWEVLYGNEMDL-RCBQFDQVSA-N 1 0 247.382 3.579 20 0 BHADRO CC(C)CC[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850528826 588557703 /nfs/dbraw/zinc/55/77/03/588557703.db2.gz LINWEVLYGNEMDL-VBNZEHGJSA-N 1 0 247.382 3.579 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850529589 588557755 /nfs/dbraw/zinc/55/77/55/588557755.db2.gz RQVIUQCTWFHWIK-CVEARBPZSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850529590 588557921 /nfs/dbraw/zinc/55/79/21/588557921.db2.gz RQVIUQCTWFHWIK-HOTGVXAUSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC(CCC)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529591 588557874 /nfs/dbraw/zinc/55/78/74/588557874.db2.gz RQVIUQCTWFHWIK-HZPDHXFCSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC(CCC)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850529592 588557768 /nfs/dbraw/zinc/55/77/68/588557768.db2.gz RQVIUQCTWFHWIK-JKSUJKDBSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850530460 588557713 /nfs/dbraw/zinc/55/77/13/588557713.db2.gz ZAJHWZGTQKZTQB-APHBMKBZSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850530462 588557979 /nfs/dbraw/zinc/55/79/79/588557979.db2.gz ZAJHWZGTQKZTQB-MAZHCROVSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850530464 588557690 /nfs/dbraw/zinc/55/76/90/588557690.db2.gz ZAJHWZGTQKZTQB-RCBQFDQVSA-N 1 0 247.382 3.723 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850530465 588557902 /nfs/dbraw/zinc/55/79/02/588557902.db2.gz ZAJHWZGTQKZTQB-VBNZEHGJSA-N 1 0 247.382 3.723 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccnc1Cl ZINC000850530729 588557917 /nfs/dbraw/zinc/55/79/17/588557917.db2.gz CECNJYOUNIGQHV-SECBINFHSA-N 1 0 244.741 3.524 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cccnc1Cl ZINC000850530730 588557706 /nfs/dbraw/zinc/55/77/06/588557706.db2.gz CECNJYOUNIGQHV-VIFPVBQESA-N 1 0 244.741 3.524 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CCC(C)(C)F ZINC000850531327 588557696 /nfs/dbraw/zinc/55/76/96/588557696.db2.gz JGNPIXMMYIGPQG-JTQLQIEISA-N 1 0 235.412 3.634 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CCC(C)(C)F ZINC000850531329 588557712 /nfs/dbraw/zinc/55/77/12/588557712.db2.gz JGNPIXMMYIGPQG-SNVBAGLBSA-N 1 0 235.412 3.634 20 0 BHADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC(C)(C)F ZINC000850531615 588558102 /nfs/dbraw/zinc/55/81/02/588558102.db2.gz LHOHALIOVRVZTJ-AWEZNQCLSA-N 1 0 235.346 3.710 20 0 BHADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC(C)(C)F ZINC000850531616 588558349 /nfs/dbraw/zinc/55/83/49/588558349.db2.gz LHOHALIOVRVZTJ-CQSZACIVSA-N 1 0 235.346 3.710 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)nc1 ZINC000850531923 588558303 /nfs/dbraw/zinc/55/83/03/588558303.db2.gz OCWOXLOMMUBEIQ-SECBINFHSA-N 1 0 244.741 3.524 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)nc1 ZINC000850531924 588558126 /nfs/dbraw/zinc/55/81/26/588558126.db2.gz OCWOXLOMMUBEIQ-VIFPVBQESA-N 1 0 244.741 3.524 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000850532170 588558257 /nfs/dbraw/zinc/55/82/57/588558257.db2.gz QHIPFXLWTJIQRY-LLVKDONJSA-N 1 0 241.325 3.923 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000850532172 588558315 /nfs/dbraw/zinc/55/83/15/588558315.db2.gz QHIPFXLWTJIQRY-NSHDSACASA-N 1 0 241.325 3.923 20 0 BHADRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1ccoc1 ZINC000850533003 588558185 /nfs/dbraw/zinc/55/81/85/588558185.db2.gz ZLRZMFDFVADRHQ-GFCCVEGCSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1ccoc1 ZINC000850533004 588558183 /nfs/dbraw/zinc/55/81/83/588558183.db2.gz ZLRZMFDFVADRHQ-LBPRGKRZSA-N 1 0 247.313 3.620 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccnc(Cl)c1 ZINC000850533058 588557671 /nfs/dbraw/zinc/55/76/71/588557671.db2.gz YBEMKQBSBXPURK-SECBINFHSA-N 1 0 244.741 3.524 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1ccnc(Cl)c1 ZINC000850533059 588557820 /nfs/dbraw/zinc/55/78/20/588557820.db2.gz YBEMKQBSBXPURK-VIFPVBQESA-N 1 0 244.741 3.524 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850536360 588558486 /nfs/dbraw/zinc/55/84/86/588558486.db2.gz JGFKGBDMFSZUJA-NEPJUHHUSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000850536361 588558627 /nfs/dbraw/zinc/55/86/27/588558627.db2.gz JGFKGBDMFSZUJA-NWDGAFQWSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850536362 588558948 /nfs/dbraw/zinc/55/89/48/588558948.db2.gz JGFKGBDMFSZUJA-RYUDHWBXSA-N 1 0 233.346 3.980 20 0 BHADRO CCCCC[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000850536363 588558821 /nfs/dbraw/zinc/55/88/21/588558821.db2.gz JGFKGBDMFSZUJA-VXGBXAGGSA-N 1 0 233.346 3.980 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000850536818 588558689 /nfs/dbraw/zinc/55/86/89/588558689.db2.gz NXNCJRHXGZVYRD-CMPLNLGQSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850536819 588558704 /nfs/dbraw/zinc/55/87/04/588558704.db2.gz NXNCJRHXGZVYRD-JQWIXIFHSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850536820 588558866 /nfs/dbraw/zinc/55/88/66/588558866.db2.gz NXNCJRHXGZVYRD-PWSUYJOCSA-N 1 0 233.346 3.836 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000850536821 588558851 /nfs/dbraw/zinc/55/88/51/588558851.db2.gz NXNCJRHXGZVYRD-ZYHUDNBSSA-N 1 0 233.346 3.836 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1CC1 ZINC000850540813 588558946 /nfs/dbraw/zinc/55/89/46/588558946.db2.gz REQXZYHMOIEGNM-CMPLNLGQSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C1CC1 ZINC000850540814 588558482 /nfs/dbraw/zinc/55/84/82/588558482.db2.gz REQXZYHMOIEGNM-JQWIXIFHSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1CC1 ZINC000850540815 588558952 /nfs/dbraw/zinc/55/89/52/588558952.db2.gz REQXZYHMOIEGNM-PWSUYJOCSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C1CC1 ZINC000850540816 588558490 /nfs/dbraw/zinc/55/84/90/588558490.db2.gz REQXZYHMOIEGNM-ZYHUDNBSSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cccnc1Cl)C1CC1 ZINC000850540875 588558696 /nfs/dbraw/zinc/55/86/96/588558696.db2.gz SPJSCXLXDNXLTO-BXKDBHETSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cccnc1Cl)C1CC1 ZINC000850540876 588558902 /nfs/dbraw/zinc/55/89/02/588558902.db2.gz SPJSCXLXDNXLTO-CABZTGNLSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C1CC1 ZINC000850540877 588558598 /nfs/dbraw/zinc/55/85/98/588558598.db2.gz SPJSCXLXDNXLTO-JOYOIKCWSA-N 1 0 238.762 3.574 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cccnc1Cl)C1CC1 ZINC000850540878 588558630 /nfs/dbraw/zinc/55/86/30/588558630.db2.gz SPJSCXLXDNXLTO-SKDRFNHKSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000850553617 588560072 /nfs/dbraw/zinc/56/00/72/588560072.db2.gz ZNZLGZYBCKAMCX-NXEZZACHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000850553618 588560459 /nfs/dbraw/zinc/56/04/59/588560459.db2.gz ZNZLGZYBCKAMCX-UWVGGRQHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000850553619 588559144 /nfs/dbraw/zinc/55/91/44/588559144.db2.gz ZNZLGZYBCKAMCX-VHSXEESVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000850553620 588559281 /nfs/dbraw/zinc/55/92/81/588559281.db2.gz ZNZLGZYBCKAMCX-ZJUUUORDSA-N 1 0 233.346 3.692 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000850554137 588560488 /nfs/dbraw/zinc/56/04/88/588560488.db2.gz CEBXXCIMPROLDN-CBINBANVSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000850554143 588560406 /nfs/dbraw/zinc/56/04/06/588560406.db2.gz CEBXXCIMPROLDN-RTYFJBAXSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556489 588560377 /nfs/dbraw/zinc/56/03/77/588560377.db2.gz QXABEHWCCORNOO-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556490 588560241 /nfs/dbraw/zinc/56/02/41/588560241.db2.gz QXABEHWCCORNOO-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556491 588560244 /nfs/dbraw/zinc/56/02/44/588560244.db2.gz QXABEHWCCORNOO-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556492 588560387 /nfs/dbraw/zinc/56/03/87/588560387.db2.gz QXABEHWCCORNOO-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC1=CCCC1 ZINC000850556682 588560283 /nfs/dbraw/zinc/56/02/83/588560283.db2.gz ITBBKYWAFCWNEW-LLVKDONJSA-N 1 0 227.417 3.607 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC1=CCCC1 ZINC000850556684 588560111 /nfs/dbraw/zinc/56/01/11/588560111.db2.gz ITBBKYWAFCWNEW-NSHDSACASA-N 1 0 227.417 3.607 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556993 588560085 /nfs/dbraw/zinc/56/00/85/588560085.db2.gz TXMDEQQKIYEECY-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556994 588560390 /nfs/dbraw/zinc/56/03/90/588560390.db2.gz TXMDEQQKIYEECY-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556995 588560251 /nfs/dbraw/zinc/56/02/51/588560251.db2.gz TXMDEQQKIYEECY-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556996 588560223 /nfs/dbraw/zinc/56/02/23/588560223.db2.gz TXMDEQQKIYEECY-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557757 588560266 /nfs/dbraw/zinc/56/02/66/588560266.db2.gz XPCFSCWSIADRSQ-NOZJJQNGSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557759 588560214 /nfs/dbraw/zinc/56/02/14/588560214.db2.gz XPCFSCWSIADRSQ-RNCFNFMXSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557763 588560404 /nfs/dbraw/zinc/56/04/04/588560404.db2.gz XPCFSCWSIADRSQ-TVQRCGJNSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557766 588560292 /nfs/dbraw/zinc/56/02/92/588560292.db2.gz XPCFSCWSIADRSQ-ZANVPECISA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCC(F)CC1 ZINC000850557860 588560447 /nfs/dbraw/zinc/56/04/47/588560447.db2.gz ZEEWFLCURKMPQG-CFUWQCTDSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CCC(F)CC1 ZINC000850557861 588560333 /nfs/dbraw/zinc/56/03/33/588560333.db2.gz ZEEWFLCURKMPQG-JVYIBOQVSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CCC(F)CC1 ZINC000850557862 588560127 /nfs/dbraw/zinc/56/01/27/588560127.db2.gz ZEEWFLCURKMPQG-LKWTXTLSSA-N 1 0 239.378 3.681 20 0 BHADRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CCC(F)CC1 ZINC000850557863 588560464 /nfs/dbraw/zinc/56/04/64/588560464.db2.gz ZEEWFLCURKMPQG-XTSFFLGKSA-N 1 0 239.378 3.681 20 0 BHADRO COC(C)(C)[C@@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000850558136 588560444 /nfs/dbraw/zinc/56/04/44/588560444.db2.gz UFHCFCFOMOHEEJ-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)[C@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000850558138 588560469 /nfs/dbraw/zinc/56/04/69/588560469.db2.gz UFHCFCFOMOHEEJ-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000850558143 588560373 /nfs/dbraw/zinc/56/03/73/588560373.db2.gz ZSXCNQMDEDTFIZ-FOGDFJRCSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000850558144 588560113 /nfs/dbraw/zinc/56/01/13/588560113.db2.gz ZSXCNQMDEDTFIZ-NHCYSSNCSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000850558232 588560458 /nfs/dbraw/zinc/56/04/58/588560458.db2.gz ZSXCNQMDEDTFIZ-SCVCMEIPSA-N 1 0 249.320 3.886 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000850558235 588560621 /nfs/dbraw/zinc/56/06/21/588560621.db2.gz ZSXCNQMDEDTFIZ-UMNHJUIQSA-N 1 0 249.320 3.886 20 0 BHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1SCCS1 ZINC000850559642 588560916 /nfs/dbraw/zinc/56/09/16/588560916.db2.gz GBLAZAFGCOCLEF-GHMZBOCLSA-N 1 0 247.473 3.597 20 0 BHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1SCCS1 ZINC000850559644 588560579 /nfs/dbraw/zinc/56/05/79/588560579.db2.gz GBLAZAFGCOCLEF-MNOVXSKESA-N 1 0 247.473 3.597 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1SCCS1 ZINC000850559646 588560922 /nfs/dbraw/zinc/56/09/22/588560922.db2.gz GBLAZAFGCOCLEF-QWRGUYRKSA-N 1 0 247.473 3.597 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1SCCS1 ZINC000850559647 588560740 /nfs/dbraw/zinc/56/07/40/588560740.db2.gz GBLAZAFGCOCLEF-WDEREUQCSA-N 1 0 247.473 3.597 20 0 BHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1SCCS1 ZINC000850559775 588560634 /nfs/dbraw/zinc/56/06/34/588560634.db2.gz GJQNKZRYLYHXMH-GHMZBOCLSA-N 1 0 247.473 3.597 20 0 BHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1SCCS1 ZINC000850559776 588560867 /nfs/dbraw/zinc/56/08/67/588560867.db2.gz GJQNKZRYLYHXMH-MNOVXSKESA-N 1 0 247.473 3.597 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1SCCS1 ZINC000850559778 588560681 /nfs/dbraw/zinc/56/06/81/588560681.db2.gz GJQNKZRYLYHXMH-QWRGUYRKSA-N 1 0 247.473 3.597 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1SCCS1 ZINC000850559779 588560641 /nfs/dbraw/zinc/56/06/41/588560641.db2.gz GJQNKZRYLYHXMH-WDEREUQCSA-N 1 0 247.473 3.597 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]CC1SCCS1 ZINC000850559972 588560911 /nfs/dbraw/zinc/56/09/11/588560911.db2.gz HERXNIYMUMLENX-LLVKDONJSA-N 1 0 247.473 3.597 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]CC1SCCS1 ZINC000850559976 588560855 /nfs/dbraw/zinc/56/08/55/588560855.db2.gz HERXNIYMUMLENX-NSHDSACASA-N 1 0 247.473 3.597 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1SCCS1 ZINC000850561466 588560587 /nfs/dbraw/zinc/56/05/87/588560587.db2.gz SJXFJFWQALCEHS-LLVKDONJSA-N 1 0 245.457 3.517 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CC1SCCS1 ZINC000850561467 588560632 /nfs/dbraw/zinc/56/06/32/588560632.db2.gz SJXFJFWQALCEHS-NSHDSACASA-N 1 0 245.457 3.517 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CCC1SCCS1 ZINC000850568758 588561449 /nfs/dbraw/zinc/56/14/49/588561449.db2.gz IUEFXLGLQPBDQE-JTQLQIEISA-N 1 0 247.473 3.597 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CCC1SCCS1 ZINC000850568759 588561137 /nfs/dbraw/zinc/56/11/37/588561137.db2.gz IUEFXLGLQPBDQE-SNVBAGLBSA-N 1 0 247.473 3.597 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]CCCc1ccco1 ZINC000850569632 588561269 /nfs/dbraw/zinc/56/12/69/588561269.db2.gz KYOYZLSIWQUSKA-GFCCVEGCSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]CCCc1ccco1 ZINC000850569633 588560594 /nfs/dbraw/zinc/56/05/94/588560594.db2.gz KYOYZLSIWQUSKA-LBPRGKRZSA-N 1 0 223.360 3.627 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]C1CC(C)(C)C1 ZINC000850578300 588561703 /nfs/dbraw/zinc/56/17/03/588561703.db2.gz KJKFANFRSHDZDU-JTQLQIEISA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]C1CC(C)(C)C1 ZINC000850578301 588561880 /nfs/dbraw/zinc/56/18/80/588561880.db2.gz KJKFANFRSHDZDU-SNVBAGLBSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccnc1Cl ZINC000850579337 588561681 /nfs/dbraw/zinc/56/16/81/588561681.db2.gz UPYNMVQOLCQLJG-SECBINFHSA-N 1 0 238.762 3.574 20 0 BHADRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccnc1Cl ZINC000850579338 588561568 /nfs/dbraw/zinc/56/15/68/588561568.db2.gz UPYNMVQOLCQLJG-VIFPVBQESA-N 1 0 238.762 3.574 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000850585222 588561697 /nfs/dbraw/zinc/56/16/97/588561697.db2.gz XITPVSYJDPCAIY-DZKIICNBSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000850585223 588561699 /nfs/dbraw/zinc/56/16/99/588561699.db2.gz XITPVSYJDPCAIY-LZWOXQAQSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000850585224 588561762 /nfs/dbraw/zinc/56/17/62/588561762.db2.gz XITPVSYJDPCAIY-OFQRWUPVSA-N 1 0 249.398 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000850585225 588561653 /nfs/dbraw/zinc/56/16/53/588561653.db2.gz XITPVSYJDPCAIY-SQWLQELKSA-N 1 0 249.398 3.667 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000850585567 588561791 /nfs/dbraw/zinc/56/17/91/588561791.db2.gz ZQODSOHNFKVMOY-IPYPFGDCSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@@H](O)[C@H]([NH2+][C@H](C)CC(C)(C)C)c1ccccc1 ZINC000850585568 588561706 /nfs/dbraw/zinc/56/17/06/588561706.db2.gz ZQODSOHNFKVMOY-NFAWXSAZSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@@H](O)[C@@H]([NH2+][C@H](C)CC(C)(C)C)c1ccccc1 ZINC000850585569 588561470 /nfs/dbraw/zinc/56/14/70/588561470.db2.gz ZQODSOHNFKVMOY-UMVBOHGHSA-N 1 0 249.398 3.523 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000850585570 588561792 /nfs/dbraw/zinc/56/17/92/588561792.db2.gz ZQODSOHNFKVMOY-VNHYZAJKSA-N 1 0 249.398 3.523 20 0 BHADRO CCCC[NH+](CCCC)Cc1cccc(F)n1 ZINC000851712852 588616000 /nfs/dbraw/zinc/61/60/00/588616000.db2.gz VKMFVBVAHFVENB-UHFFFAOYSA-N 1 0 238.350 3.623 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CCCC2CCC2)no1 ZINC000851716662 588616080 /nfs/dbraw/zinc/61/60/80/588616080.db2.gz PCPBKWSPKFPQMX-HNNXBMFYSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CCCC2CCC2)no1 ZINC000851716663 588616253 /nfs/dbraw/zinc/61/62/53/588616253.db2.gz PCPBKWSPKFPQMX-OAHLLOKOSA-N 1 0 248.370 3.700 20 0 BHADRO C[N@H+](CC=C(Cl)Cl)C1CCCCC1 ZINC000851718593 588616516 /nfs/dbraw/zinc/61/65/16/588616516.db2.gz MEOZGQGATCJTBV-UHFFFAOYSA-N 1 0 222.159 3.570 20 0 BHADRO CCCCC[N@H+](Cc1cccc(F)n1)C(C)C ZINC000851725862 588617618 /nfs/dbraw/zinc/61/76/18/588617618.db2.gz HFOSIFITKFHOEX-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO CC[N@H+](CC=C(Cl)Cl)C1CCCC1 ZINC000851727201 588618360 /nfs/dbraw/zinc/61/83/60/588618360.db2.gz GJAUEWFUSSLUSM-UHFFFAOYSA-N 1 0 222.159 3.570 20 0 BHADRO Fc1cccc(C[N@H+](C2CC2)C2CCCCC2)n1 ZINC000851727566 588618332 /nfs/dbraw/zinc/61/83/32/588618332.db2.gz QWSPTHJZAJMIES-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO C[C@H](C1CC1)[N@H+](CC=C(Cl)Cl)C1CC1 ZINC000851727672 588618307 /nfs/dbraw/zinc/61/83/07/588618307.db2.gz UZKGLQLOULFUPR-MRVPVSSYSA-N 1 0 234.170 3.568 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CC=C(Cl)Cl)C1CC1 ZINC000851727673 588618555 /nfs/dbraw/zinc/61/85/55/588618555.db2.gz UZKGLQLOULFUPR-QMMMGPOBSA-N 1 0 234.170 3.568 20 0 BHADRO CC[N@H+](CCc1nsc2ccccc21)C(C)C ZINC000851732919 588620137 /nfs/dbraw/zinc/62/01/37/588620137.db2.gz DIJMXUNIEJWFSK-UHFFFAOYSA-N 1 0 248.395 3.569 20 0 BHADRO CC[N@H+](Cc1nsc2ccccc21)C(C)C ZINC000851733201 633175066 /nfs/dbraw/zinc/17/50/66/633175066.db2.gz MZYYDVGAEKVFIH-UHFFFAOYSA-N 1 0 234.368 3.527 20 0 BHADRO CC[N@H+](Cc1cccc(OC)c1Cl)C(C)C ZINC000851733229 588620170 /nfs/dbraw/zinc/62/01/70/588620170.db2.gz OEURWIDHMHCGPD-UHFFFAOYSA-N 1 0 241.762 3.579 20 0 BHADRO CC[N@H+](Cc1cccc(SC)c1)C(C)C ZINC000851733495 588620074 /nfs/dbraw/zinc/62/00/74/588620074.db2.gz XKNXXQOFMQKQFF-UHFFFAOYSA-N 1 0 223.385 3.639 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(F)n1 ZINC000851749969 588623001 /nfs/dbraw/zinc/62/30/01/588623001.db2.gz SGUVAJBDRGRFCY-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO ClC(Cl)=CC[N@H+](C1CC1)C1CCCC1 ZINC000851763532 588624667 /nfs/dbraw/zinc/62/46/67/588624667.db2.gz SRIRWZUFRVXUTH-UHFFFAOYSA-N 1 0 234.170 3.712 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCC2(CCCC2)C1 ZINC000851789512 588628963 /nfs/dbraw/zinc/62/89/63/588628963.db2.gz BALXCLATBJQLDG-GFCCVEGCSA-N 1 0 245.357 3.934 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCC2(CCCC2)C1 ZINC000851789513 588628612 /nfs/dbraw/zinc/62/86/12/588628612.db2.gz BALXCLATBJQLDG-LBPRGKRZSA-N 1 0 245.357 3.934 20 0 BHADRO CC(C)=CCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000851799035 588630106 /nfs/dbraw/zinc/63/01/06/588630106.db2.gz LADWQTZSBSIBDG-UHFFFAOYSA-N 1 0 238.762 3.523 20 0 BHADRO CC[N@H+](CCCC1CCC1)CCc1ccccn1 ZINC000851824808 588633866 /nfs/dbraw/zinc/63/38/66/588633866.db2.gz MPCLRJCNKVVRGF-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CC(C)([NH2+]CC1CC=CC1)c1ccc(F)cc1 ZINC000851838671 588634223 /nfs/dbraw/zinc/63/42/23/588634223.db2.gz NVYANTVRGRGSIM-UHFFFAOYSA-N 1 0 233.330 3.617 20 0 BHADRO CC(C)[N@H+](CC=C(Cl)Cl)C1CCC1 ZINC000851848714 588634608 /nfs/dbraw/zinc/63/46/08/588634608.db2.gz NSYOTDIFNYNILQ-UHFFFAOYSA-N 1 0 222.159 3.568 20 0 BHADRO Fc1cccc(C[N@@H+]2CCCC23CCCCC3)n1 ZINC000851871275 588637036 /nfs/dbraw/zinc/63/70/36/588637036.db2.gz OUUFSZGXKAUMBU-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO CC(C)=CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000851901407 588641884 /nfs/dbraw/zinc/64/18/84/588641884.db2.gz DSIPZFYCPJXDBU-HNNXBMFYSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000851901408 588641705 /nfs/dbraw/zinc/64/17/05/588641705.db2.gz DSIPZFYCPJXDBU-OAHLLOKOSA-N 1 0 232.371 3.725 20 0 BHADRO CC(C)[C@H]([NH2+]CCCC1CCC1)c1ccccn1 ZINC000851903371 588642192 /nfs/dbraw/zinc/64/21/92/588642192.db2.gz NXNALVBZLFQCOZ-INIZCTEOSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCC1CCC1)c1ccccn1 ZINC000851903373 588642157 /nfs/dbraw/zinc/64/21/57/588642157.db2.gz NXNALVBZLFQCOZ-MRXNPFEDSA-N 1 0 246.398 3.949 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000851904550 588641946 /nfs/dbraw/zinc/64/19/46/588641946.db2.gz ZMDIMQBDOGKDQL-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CCC1)c1ccccn1 ZINC000851904551 588641945 /nfs/dbraw/zinc/64/19/45/588641945.db2.gz ZMDIMQBDOGKDQL-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)C1CCC1 ZINC000851923973 588644392 /nfs/dbraw/zinc/64/43/92/588644392.db2.gz GPCTUYOOYAFYNY-ILXRZTDVSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)C1CCC1 ZINC000851923974 588644244 /nfs/dbraw/zinc/64/42/44/588644244.db2.gz GPCTUYOOYAFYNY-KFWWJZLASA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)C1CCC1 ZINC000851923975 588644284 /nfs/dbraw/zinc/64/42/84/588644284.db2.gz GPCTUYOOYAFYNY-KKUMJFAQSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)C1CCC1 ZINC000851923976 588644241 /nfs/dbraw/zinc/64/42/41/588644241.db2.gz GPCTUYOOYAFYNY-ZNMIVQPWSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](CC(F)F)C[N@@H+]1CCCC12CCC2 ZINC000851988699 588652649 /nfs/dbraw/zinc/65/26/49/588652649.db2.gz CGHYMGHFMXOJFG-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CCCC12CCC2 ZINC000851988700 588652593 /nfs/dbraw/zinc/65/25/93/588652593.db2.gz CGHYMGHFMXOJFG-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO Clc1cccc2c1C[N@H+](CC1CC=CC1)C2 ZINC000852050168 588657938 /nfs/dbraw/zinc/65/79/38/588657938.db2.gz JEFLYUFJDVLXPH-UHFFFAOYSA-N 1 0 233.742 3.622 20 0 BHADRO ClC(Cl)=CC[NH+](C1CCC1)C1CCC1 ZINC000852077674 588660422 /nfs/dbraw/zinc/66/04/22/588660422.db2.gz ATGQNWIELWKSJE-UHFFFAOYSA-N 1 0 234.170 3.712 20 0 BHADRO c1c(C[NH+]2CCCCCCCC2)onc1C1CC1 ZINC000852139892 588666503 /nfs/dbraw/zinc/66/65/03/588666503.db2.gz FJKJKFJMFXHWMR-UHFFFAOYSA-N 1 0 248.370 3.708 20 0 BHADRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccsc1 ZINC000852147860 588667147 /nfs/dbraw/zinc/66/71/47/588667147.db2.gz LVMKHBIKIBUPRY-JTQLQIEISA-N 1 0 209.358 3.511 20 0 BHADRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccsc1 ZINC000852147862 588667207 /nfs/dbraw/zinc/66/72/07/588667207.db2.gz LVMKHBIKIBUPRY-SNVBAGLBSA-N 1 0 209.358 3.511 20 0 BHADRO FC1(F)C[C@@]12CCC[N@H+](CCCC1CCC1)C2 ZINC000852212607 588672485 /nfs/dbraw/zinc/67/24/85/588672485.db2.gz DCMBXGQARWGGHD-CYBMUJFWSA-N 1 0 243.341 3.688 20 0 BHADRO FC1(F)C[C@]12CCC[N@H+](CCCC1CCC1)C2 ZINC000852212608 588672536 /nfs/dbraw/zinc/67/25/36/588672536.db2.gz DCMBXGQARWGGHD-ZDUSSCGKSA-N 1 0 243.341 3.688 20 0 BHADRO FCc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000852219722 588673625 /nfs/dbraw/zinc/67/36/25/588673625.db2.gz CKVCCQSJBCQUOH-GJZGRUSLSA-N 1 0 233.330 3.531 20 0 BHADRO CC[C@@H](C)[N@H+](CC)Cc1ccc(CF)cc1 ZINC000852289968 588676283 /nfs/dbraw/zinc/67/62/83/588676283.db2.gz BXPYFDSDGDGFDN-GFCCVEGCSA-N 1 0 223.335 3.777 20 0 BHADRO CC[C@H](C)[N@H+](CC)Cc1ccc(CF)cc1 ZINC000852289969 588676602 /nfs/dbraw/zinc/67/66/02/588676602.db2.gz BXPYFDSDGDGFDN-LBPRGKRZSA-N 1 0 223.335 3.777 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC000852291300 588676342 /nfs/dbraw/zinc/67/63/42/588676342.db2.gz SQCJRTFXRMAIJU-NXEZZACHSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@H](C)[N@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC000852291305 588676516 /nfs/dbraw/zinc/67/65/16/588676516.db2.gz SQCJRTFXRMAIJU-UWVGGRQHSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@H](C)[N@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC000852291307 588676364 /nfs/dbraw/zinc/67/63/64/588676364.db2.gz SQCJRTFXRMAIJU-VHSXEESVSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@@H](C)[N@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC000852291309 588676468 /nfs/dbraw/zinc/67/64/68/588676468.db2.gz SQCJRTFXRMAIJU-ZJUUUORDSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC000852291472 588676524 /nfs/dbraw/zinc/67/65/24/588676524.db2.gz WOAZORNDCDBZEP-NXEZZACHSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC000852291474 588676505 /nfs/dbraw/zinc/67/65/05/588676505.db2.gz WOAZORNDCDBZEP-UWVGGRQHSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@H](C)[N@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC000852291475 588676416 /nfs/dbraw/zinc/67/64/16/588676416.db2.gz WOAZORNDCDBZEP-VHSXEESVSA-N 1 0 238.202 3.691 20 0 BHADRO CC[C@@H](C)[N@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC000852291477 588676395 /nfs/dbraw/zinc/67/63/95/588676395.db2.gz WOAZORNDCDBZEP-ZJUUUORDSA-N 1 0 238.202 3.691 20 0 BHADRO Cc1oncc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000852309946 588677955 /nfs/dbraw/zinc/67/79/55/588677955.db2.gz IXWYJXSFUYRZQV-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1oncc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000852309947 588678092 /nfs/dbraw/zinc/67/80/92/588678092.db2.gz IXWYJXSFUYRZQV-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1oncc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000852355757 588679681 /nfs/dbraw/zinc/67/96/81/588679681.db2.gz ZTZQVTROWQJXMR-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000852356214 588679692 /nfs/dbraw/zinc/67/96/92/588679692.db2.gz XYIAHCVGCMWQCP-BDAKNGLRSA-N 1 0 238.202 3.595 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000852356215 588679514 /nfs/dbraw/zinc/67/95/14/588679514.db2.gz XYIAHCVGCMWQCP-DTWKUNHWSA-N 1 0 238.202 3.595 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000852356216 588679745 /nfs/dbraw/zinc/67/97/45/588679745.db2.gz XYIAHCVGCMWQCP-IUCAKERBSA-N 1 0 238.202 3.595 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000852356217 588679642 /nfs/dbraw/zinc/67/96/42/588679642.db2.gz XYIAHCVGCMWQCP-RKDXNWHRSA-N 1 0 238.202 3.595 20 0 BHADRO FC1(F)CC(C[NH+]2CCC(C3CCC3)CC2)C1 ZINC000852408327 588680871 /nfs/dbraw/zinc/68/08/71/588680871.db2.gz UNJORYCYKMFTIX-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000852531602 588688290 /nfs/dbraw/zinc/68/82/90/588688290.db2.gz RFGVLAMGRIBHCO-GFCCVEGCSA-N 1 0 247.423 3.590 20 0 BHADRO CC(C)(C)SCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852531603 588688073 /nfs/dbraw/zinc/68/80/73/588688073.db2.gz RFGVLAMGRIBHCO-LBPRGKRZSA-N 1 0 247.423 3.590 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564007 588690950 /nfs/dbraw/zinc/69/09/50/588690950.db2.gz DIYHTMXDFAIBDM-GDBMZVCRSA-N 1 0 246.398 3.573 20 0 BHADRO CCCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564008 588690879 /nfs/dbraw/zinc/69/08/79/588690879.db2.gz DIYHTMXDFAIBDM-GOEBONIOSA-N 1 0 246.398 3.573 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564009 588690848 /nfs/dbraw/zinc/69/08/48/588690848.db2.gz DIYHTMXDFAIBDM-HOCLYGCPSA-N 1 0 246.398 3.573 20 0 BHADRO CCCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564010 588690713 /nfs/dbraw/zinc/69/07/13/588690713.db2.gz DIYHTMXDFAIBDM-ZBFHGGJFSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC000852592648 588692545 /nfs/dbraw/zinc/69/25/45/588692545.db2.gz UKLKYAZTVAKKBG-GHMZBOCLSA-N 1 0 231.330 3.542 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852634644 588693369 /nfs/dbraw/zinc/69/33/69/588693369.db2.gz PRBIFAFHRRLWSJ-HCKVZZMMSA-N 1 0 247.769 3.669 20 0 BHADRO Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852634648 588693203 /nfs/dbraw/zinc/69/32/03/588693203.db2.gz PRBIFAFHRRLWSJ-WBIUFABUSA-N 1 0 247.769 3.669 20 0 BHADRO C[C@H]([NH2+]CC1CC(F)(F)C1)C1CCC(F)CC1 ZINC000852650269 588694073 /nfs/dbraw/zinc/69/40/73/588694073.db2.gz BCULARXRDQQTPU-GCVQQVDUSA-N 1 0 249.320 3.538 20 0 BHADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)C1CCC(F)CC1 ZINC000852650270 588694137 /nfs/dbraw/zinc/69/41/37/588694137.db2.gz BCULARXRDQQTPU-OIKLOGQESA-N 1 0 249.320 3.538 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1cnoc1C ZINC000852671213 588695092 /nfs/dbraw/zinc/69/50/92/588695092.db2.gz KFWDTNVOOSDLAN-UHFFFAOYSA-N 1 0 238.375 3.631 20 0 BHADRO FC1(F)CC(C[N@@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000852672789 588695103 /nfs/dbraw/zinc/69/51/03/588695103.db2.gz JLGURDHUKLDFTK-CYBMUJFWSA-N 1 0 243.341 3.544 20 0 BHADRO FC1(F)CC(C[N@@H+]2CCC[C@H](C3CCC3)C2)C1 ZINC000852672790 588695192 /nfs/dbraw/zinc/69/51/92/588695192.db2.gz JLGURDHUKLDFTK-ZDUSSCGKSA-N 1 0 243.341 3.544 20 0 BHADRO CC(C)CC1([NH2+]Cc2ccc(CF)cc2)CC1 ZINC000852683438 588695679 /nfs/dbraw/zinc/69/56/79/588695679.db2.gz WUCXSGVNHNPTCF-UHFFFAOYSA-N 1 0 235.346 3.824 20 0 BHADRO CC[C@H](O)C[N@H+](C(C)C)[C@@H](CC)c1ccccc1 ZINC000852690997 588696457 /nfs/dbraw/zinc/69/64/57/588696457.db2.gz VHGCEVSXFYJKTP-HOTGVXAUSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](C[C@@H](O)CC)C(C)C ZINC000852690999 588696094 /nfs/dbraw/zinc/69/60/94/588696094.db2.gz VHGCEVSXFYJKTP-JKSUJKDBSA-N 1 0 249.398 3.619 20 0 BHADRO CC[C@@H](c1ccccc1)[N@H+](CCF)C(C)C ZINC000852691019 588696271 /nfs/dbraw/zinc/69/62/71/588696271.db2.gz VUSDRMMNLZFHPK-AWEZNQCLSA-N 1 0 223.335 3.818 20 0 BHADRO CC[C@H](c1ccccc1)[N@H+](CCF)C(C)C ZINC000852691021 588696147 /nfs/dbraw/zinc/69/61/47/588696147.db2.gz VUSDRMMNLZFHPK-CQSZACIVSA-N 1 0 223.335 3.818 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl ZINC000852699818 588696799 /nfs/dbraw/zinc/69/67/99/588696799.db2.gz CGRBLPXHPMKPOL-PBINXNQUSA-N 1 0 234.170 3.568 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC000852699936 588696785 /nfs/dbraw/zinc/69/67/85/588696785.db2.gz HCPWITFUIUFJNX-VGPLMAKISA-N 1 0 221.369 3.511 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl ZINC000852699953 588696533 /nfs/dbraw/zinc/69/65/33/588696533.db2.gz HXQBPENNGDLPIZ-CFENNBTNSA-N 1 0 234.170 3.568 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C\Cl ZINC000852699954 588696885 /nfs/dbraw/zinc/69/68/85/588696885.db2.gz HXQBPENNGDLPIZ-HUAVFSDTSA-N 1 0 234.170 3.568 20 0 BHADRO CC(C)c1cnc(C[N@H+]2[C@@H]3CC[C@H]2CC(C)C3)o1 ZINC000852700952 588696609 /nfs/dbraw/zinc/69/66/09/588696609.db2.gz LCQMIWKQYUUCHS-YHWZYXNKSA-N 1 0 248.370 3.561 20 0 BHADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000852702503 588697224 /nfs/dbraw/zinc/69/72/24/588697224.db2.gz YUMYBIIYPWLQCC-YHWZYXNKSA-N 1 0 235.396 3.554 20 0 BHADRO Cc1oncc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000852711197 588696966 /nfs/dbraw/zinc/69/69/66/588696966.db2.gz CRSIXDDUNIOEOG-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1oncc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852711198 588697250 /nfs/dbraw/zinc/69/72/50/588697250.db2.gz CRSIXDDUNIOEOG-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC1CC(F)(F)C1 ZINC000852711211 588696931 /nfs/dbraw/zinc/69/69/31/588696931.db2.gz CVRVNFKGMYYLHJ-CMPLNLGQSA-N 1 0 231.330 3.685 20 0 BHADRO CC[C@@H]1CCC[C@H](C)N1CC(F)(F)C(F)F ZINC000852711779 588696948 /nfs/dbraw/zinc/69/69/48/588696948.db2.gz HRGYHBSLXAHARN-DTWKUNHWSA-N 1 0 241.272 3.540 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCCCO ZINC000852712280 588697159 /nfs/dbraw/zinc/69/71/59/588697159.db2.gz NCGLJRVCYHXSOT-LSDHHAIUSA-N 1 0 241.419 3.582 20 0 BHADRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncc(C)s1 ZINC000852712628 588697487 /nfs/dbraw/zinc/69/74/87/588697487.db2.gz SKTWVIHFTSCHKW-CMPLNLGQSA-N 1 0 238.400 3.605 20 0 BHADRO FC1(F)CC(C[N@H+](CCC2CC2)CC2CC2)C1 ZINC000852715998 588697558 /nfs/dbraw/zinc/69/75/58/588697558.db2.gz FSEUJBPIPHEDTB-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@@H]1CCc2cc(Cl)ccc21 ZINC000852786427 588702659 /nfs/dbraw/zinc/70/26/59/588702659.db2.gz MKDQJMVVKUXCPR-CIQACWJJSA-N 1 0 247.769 3.812 20 0 BHADRO CC12CC(C1)C[N@@H+]2[C@H]1CCc2cc(Cl)ccc21 ZINC000852786433 588702696 /nfs/dbraw/zinc/70/26/96/588702696.db2.gz MKDQJMVVKUXCPR-CUMGRINNSA-N 1 0 247.769 3.812 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000853086659 588719234 /nfs/dbraw/zinc/71/92/34/588719234.db2.gz MPCISUBQMQWXSB-CYBMUJFWSA-N 1 0 242.366 3.989 20 0 BHADRO CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000853086665 588719089 /nfs/dbraw/zinc/71/90/89/588719089.db2.gz MPCISUBQMQWXSB-ZDUSSCGKSA-N 1 0 242.366 3.989 20 0 BHADRO CC1(C)C[C@]1([NH2+]Cc1ccoc1)c1ccccc1 ZINC000853091231 588719468 /nfs/dbraw/zinc/71/94/68/588719468.db2.gz BEHFYPMGBAKUMY-INIZCTEOSA-N 1 0 241.334 3.695 20 0 BHADRO CC1(C)C[C@@]1([NH2+]Cc1ccoc1)c1ccccc1 ZINC000853091232 588719392 /nfs/dbraw/zinc/71/93/92/588719392.db2.gz BEHFYPMGBAKUMY-MRXNPFEDSA-N 1 0 241.334 3.695 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CC1)CC(F)(F)F ZINC000853241341 588728223 /nfs/dbraw/zinc/72/82/23/588728223.db2.gz RHFUGGKOLAEHOQ-GHMZBOCLSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CC1)CC(F)(F)F ZINC000853241343 588726678 /nfs/dbraw/zinc/72/66/78/588726678.db2.gz RHFUGGKOLAEHOQ-MNOVXSKESA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CC1)CC(F)(F)F ZINC000853241345 588726994 /nfs/dbraw/zinc/72/69/94/588726994.db2.gz RHFUGGKOLAEHOQ-QWRGUYRKSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CC1)CC(F)(F)F ZINC000853241347 588726932 /nfs/dbraw/zinc/72/69/32/588726932.db2.gz RHFUGGKOLAEHOQ-WDEREUQCSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]Cc1cccc(N)c1)C1CCCCC1 ZINC000854216873 588779852 /nfs/dbraw/zinc/77/98/52/588779852.db2.gz GGVRKLGCQTUGKF-INIZCTEOSA-N 1 0 246.398 3.717 20 0 BHADRO CC[C@@H]([NH2+]Cc1cccc(N)c1)C1CCCCC1 ZINC000854216974 588779782 /nfs/dbraw/zinc/77/97/82/588779782.db2.gz GGVRKLGCQTUGKF-MRXNPFEDSA-N 1 0 246.398 3.717 20 0 BHADRO Clc1cncc(C[NH+]2CCCCCCC2)c1 ZINC000856717878 588875030 /nfs/dbraw/zinc/87/50/30/588875030.db2.gz KMYLKQNNGJYVOH-UHFFFAOYSA-N 1 0 238.762 3.501 20 0 BHADRO Clc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000856731929 588875276 /nfs/dbraw/zinc/87/52/76/588875276.db2.gz BYDYHSBHCQDTNK-JOYOIKCWSA-N 1 0 247.725 3.680 20 0 BHADRO Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000856731932 588875342 /nfs/dbraw/zinc/87/53/42/588875342.db2.gz BYDYHSBHCQDTNK-SKDRFNHKSA-N 1 0 247.725 3.680 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC3(CCCC3)C2)ccn1 ZINC000856738367 588875347 /nfs/dbraw/zinc/87/53/47/588875347.db2.gz BERABJLPHPBATC-UHFFFAOYSA-N 1 0 244.382 3.546 20 0 BHADRO CCCc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)s1 ZINC000856775703 588877230 /nfs/dbraw/zinc/87/72/30/588877230.db2.gz QUKWBLRUJMHBSH-LLVKDONJSA-N 1 0 248.395 3.880 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)s1 ZINC000856775704 588877139 /nfs/dbraw/zinc/87/71/39/588877139.db2.gz QUKWBLRUJMHBSH-NSHDSACASA-N 1 0 248.395 3.880 20 0 BHADRO CCCc1ccc(C[NH2+][C@@H]2C=CCC2)s1 ZINC000856794634 588878367 /nfs/dbraw/zinc/87/83/67/588878367.db2.gz SAEWHDWCERHXJZ-LLVKDONJSA-N 1 0 221.369 3.509 20 0 BHADRO CCCc1ccc(C[NH2+][C@H]2C=CCC2)s1 ZINC000856794635 588878394 /nfs/dbraw/zinc/87/83/94/588878394.db2.gz SAEWHDWCERHXJZ-NSHDSACASA-N 1 0 221.369 3.509 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856804585 588878357 /nfs/dbraw/zinc/87/83/57/588878357.db2.gz DQGQEENBBWJLGT-NXEZZACHSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856804587 588878149 /nfs/dbraw/zinc/87/81/49/588878149.db2.gz DQGQEENBBWJLGT-UWVGGRQHSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856804588 588878272 /nfs/dbraw/zinc/87/82/72/588878272.db2.gz DQGQEENBBWJLGT-VHSXEESVSA-N 1 0 238.202 3.596 20 0 BHADRO CCC[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856804589 588878325 /nfs/dbraw/zinc/87/83/25/588878325.db2.gz DQGQEENBBWJLGT-ZJUUUORDSA-N 1 0 238.202 3.596 20 0 BHADRO C[C@@H](CSC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC000857063339 588885284 /nfs/dbraw/zinc/88/52/84/588885284.db2.gz LCPXZAICZUGIED-CXQJBGSLSA-N 1 0 229.433 3.542 20 0 BHADRO C[C@H](CSC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC000857063340 588885108 /nfs/dbraw/zinc/88/51/08/588885108.db2.gz LCPXZAICZUGIED-MOENNCHZSA-N 1 0 229.433 3.542 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857063901 634364551 /nfs/dbraw/zinc/36/45/51/634364551.db2.gz BITOCZDYRXMXJO-GHMZBOCLSA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857063902 634363836 /nfs/dbraw/zinc/36/38/36/634363836.db2.gz BITOCZDYRXMXJO-MNOVXSKESA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857063903 634364910 /nfs/dbraw/zinc/36/49/10/634364910.db2.gz BITOCZDYRXMXJO-QWRGUYRKSA-N 1 0 248.197 3.659 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857063904 634365043 /nfs/dbraw/zinc/36/50/43/634365043.db2.gz BITOCZDYRXMXJO-WDEREUQCSA-N 1 0 248.197 3.659 20 0 BHADRO Clc1csc(C[NH+]2CC(CC3CC3)C2)c1 ZINC000857066466 588885015 /nfs/dbraw/zinc/88/50/15/588885015.db2.gz LKOFDPKANGHEFN-UHFFFAOYSA-N 1 0 241.787 3.633 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857845168 588911824 /nfs/dbraw/zinc/91/18/24/588911824.db2.gz CCHKZCYDTDZGGP-GXTWGEPZSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857845169 588911935 /nfs/dbraw/zinc/91/19/35/588911935.db2.gz CCHKZCYDTDZGGP-JSGCOSHPSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857845170 588911884 /nfs/dbraw/zinc/91/18/84/588911884.db2.gz CCHKZCYDTDZGGP-OCCSQVGLSA-N 1 0 249.402 3.593 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857845171 588911912 /nfs/dbraw/zinc/91/19/12/588911912.db2.gz CCHKZCYDTDZGGP-TZMCWYRMSA-N 1 0 249.402 3.593 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853642 588913644 /nfs/dbraw/zinc/91/36/44/588913644.db2.gz TVFMTJSQRWLKCA-CYBMUJFWSA-N 1 0 249.402 3.593 20 0 BHADRO CC(C)(C)CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857853643 588912960 /nfs/dbraw/zinc/91/29/60/588912960.db2.gz TVFMTJSQRWLKCA-ZDUSSCGKSA-N 1 0 249.402 3.593 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857561 588913847 /nfs/dbraw/zinc/91/38/47/588913847.db2.gz FFGXSRWYSJKBID-CYBMUJFWSA-N 1 0 249.402 3.593 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857562 588913893 /nfs/dbraw/zinc/91/38/93/588913893.db2.gz FFGXSRWYSJKBID-ZDUSSCGKSA-N 1 0 249.402 3.593 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000857868041 588916041 /nfs/dbraw/zinc/91/60/41/588916041.db2.gz NUOTUFIMUGYJFS-CHWSQXEVSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000857868042 588915544 /nfs/dbraw/zinc/91/55/44/588915544.db2.gz NUOTUFIMUGYJFS-OLZOCXBDSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000857868043 588915642 /nfs/dbraw/zinc/91/56/42/588915642.db2.gz NUOTUFIMUGYJFS-QWHCGFSZSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000857868044 588915422 /nfs/dbraw/zinc/91/54/22/588915422.db2.gz NUOTUFIMUGYJFS-STQMWFEESA-N 1 0 249.402 3.592 20 0 BHADRO CCCC[C@@H](CC)C[N@@H+]1Cc2ccncc2C1 ZINC000857879168 588919466 /nfs/dbraw/zinc/91/94/66/588919466.db2.gz URCUQAWFEWWOAU-CYBMUJFWSA-N 1 0 232.371 3.614 20 0 BHADRO CCCC[C@H](CC)C[N@@H+]1Cc2ccncc2C1 ZINC000857879169 588919601 /nfs/dbraw/zinc/91/96/01/588919601.db2.gz URCUQAWFEWWOAU-ZDUSSCGKSA-N 1 0 232.371 3.614 20 0 BHADRO CC1(C)CCCC[C@H]1C[N@@H+]1Cc2ccncc2C1 ZINC000857881098 588920240 /nfs/dbraw/zinc/92/02/40/588920240.db2.gz BVCFFRDYKYTEOQ-HNNXBMFYSA-N 1 0 244.382 3.614 20 0 BHADRO CC1(C)CCCC[C@@H]1C[N@@H+]1Cc2ccncc2C1 ZINC000857881099 588919780 /nfs/dbraw/zinc/91/97/80/588919780.db2.gz BVCFFRDYKYTEOQ-OAHLLOKOSA-N 1 0 244.382 3.614 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857902664 588921992 /nfs/dbraw/zinc/92/19/92/588921992.db2.gz ULIAABAARQYQCD-GXSJLCMTSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857902673 588922112 /nfs/dbraw/zinc/92/21/12/588922112.db2.gz ULIAABAARQYQCD-KOLCDFICSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857902676 588922031 /nfs/dbraw/zinc/92/20/31/588922031.db2.gz ULIAABAARQYQCD-MWLCHTKSSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857902679 588922054 /nfs/dbraw/zinc/92/20/54/588922054.db2.gz ULIAABAARQYQCD-ONGXEEELSA-N 1 0 238.762 3.501 20 0 BHADRO CCCC[C@@H](CC)C[NH2+]Cc1ccnc(F)c1 ZINC000858087024 588931588 /nfs/dbraw/zinc/93/15/88/588931588.db2.gz RGJITCZQJZISNU-GFCCVEGCSA-N 1 0 238.350 3.527 20 0 BHADRO CCCC[C@H](CC)C[NH2+]Cc1ccnc(F)c1 ZINC000858087025 588931432 /nfs/dbraw/zinc/93/14/32/588931432.db2.gz RGJITCZQJZISNU-LBPRGKRZSA-N 1 0 238.350 3.527 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccnc(F)c1 ZINC000858094062 588932384 /nfs/dbraw/zinc/93/23/84/588932384.db2.gz BSNKABLBPBWNKF-UHFFFAOYSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@H]([NH2+]CCSC(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858125447 588934730 /nfs/dbraw/zinc/93/47/30/588934730.db2.gz FLUYCVBTNJKVJC-DRZSPHRISA-N 1 0 241.444 3.542 20 0 BHADRO C[C@@H]([NH2+]CCSC(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858125449 588934425 /nfs/dbraw/zinc/93/44/25/588934425.db2.gz FLUYCVBTNJKVJC-WXHSDQCUSA-N 1 0 241.444 3.542 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858125851 588934458 /nfs/dbraw/zinc/93/44/58/588934458.db2.gz NBLCRYILIIWSID-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccnc(F)c1 ZINC000858141828 588935200 /nfs/dbraw/zinc/93/52/00/588935200.db2.gz ROJCMXUKJDVRDK-LLVKDONJSA-N 1 0 238.350 3.525 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccnc(F)c1 ZINC000858141829 588934982 /nfs/dbraw/zinc/93/49/82/588934982.db2.gz ROJCMXUKJDVRDK-NSHDSACASA-N 1 0 238.350 3.525 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1ccnc(F)c1 ZINC000858150193 588935685 /nfs/dbraw/zinc/93/56/85/588935685.db2.gz LWLHRDOHBWHHAV-UHFFFAOYSA-N 1 0 238.350 3.527 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)C ZINC000858172746 588937132 /nfs/dbraw/zinc/93/71/32/588937132.db2.gz DZLYUFBVLFYNKI-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CCC[C@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)C ZINC000858172747 588937214 /nfs/dbraw/zinc/93/72/14/588937214.db2.gz DZLYUFBVLFYNKI-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CC(C)Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000858204658 588938548 /nfs/dbraw/zinc/93/85/48/588938548.db2.gz QHQXPCKOMPSGPH-UHFFFAOYSA-N 1 0 243.350 3.768 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000858274715 588942067 /nfs/dbraw/zinc/94/20/67/588942067.db2.gz ARDJMBNSUNNPOP-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000858274774 588941975 /nfs/dbraw/zinc/94/19/75/588941975.db2.gz CZKFLVILOIXDGY-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000858274815 588942116 /nfs/dbraw/zinc/94/21/16/588942116.db2.gz FCGOZXOAZFPUSZ-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2ccncc2)CC1 ZINC000858274913 588941936 /nfs/dbraw/zinc/94/19/36/588941936.db2.gz IIFKUTATZPKXPV-UHFFFAOYSA-N 1 0 232.371 3.530 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000858275202 588942083 /nfs/dbraw/zinc/94/20/83/588942083.db2.gz OGCIOIAOYJYITF-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000858275544 588941883 /nfs/dbraw/zinc/94/18/83/588941883.db2.gz BRBAXDLVNDVPES-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO CC1(C)CCC(C)([NH2+]C[C@H]2CCSC2)CC1 ZINC000858276697 588941984 /nfs/dbraw/zinc/94/19/84/588941984.db2.gz VLEKXPMZGCJIFE-GFCCVEGCSA-N 1 0 241.444 3.688 20 0 BHADRO CC1(C)CCC(C)([NH2+]C[C@@H]2CCSC2)CC1 ZINC000858276698 588942082 /nfs/dbraw/zinc/94/20/82/588942082.db2.gz VLEKXPMZGCJIFE-LBPRGKRZSA-N 1 0 241.444 3.688 20 0 BHADRO C/C=C\C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858290547 588942393 /nfs/dbraw/zinc/94/23/93/588942393.db2.gz GDKUPZIEPVZIKE-IHWYPQMZSA-N 1 0 243.322 3.667 20 0 BHADRO C/C=C/C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858290550 588942521 /nfs/dbraw/zinc/94/25/21/588942521.db2.gz GDKUPZIEPVZIKE-NSCUHMNNSA-N 1 0 243.322 3.667 20 0 BHADRO CCc1cccc(C[NH2+][C@H](C)c2ccns2)c1 ZINC000858319014 588945181 /nfs/dbraw/zinc/94/51/81/588945181.db2.gz WWQKNHXZLGPYGX-LLVKDONJSA-N 1 0 246.379 3.556 20 0 BHADRO CCc1cccc(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000858319015 588945122 /nfs/dbraw/zinc/94/51/22/588945122.db2.gz WWQKNHXZLGPYGX-NSHDSACASA-N 1 0 246.379 3.556 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000858345103 588947700 /nfs/dbraw/zinc/94/77/00/588947700.db2.gz GYGNABGECQLMCH-LLVKDONJSA-N 1 0 238.400 3.690 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2scnc21 ZINC000858345104 588947582 /nfs/dbraw/zinc/94/75/82/588947582.db2.gz GYGNABGECQLMCH-NSHDSACASA-N 1 0 238.400 3.690 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000858352529 588948149 /nfs/dbraw/zinc/94/81/49/588948149.db2.gz AWPYCIAGYGIGOU-KKUMJFAQSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000858352530 588948419 /nfs/dbraw/zinc/94/84/19/588948419.db2.gz AWPYCIAGYGIGOU-RRFJBIMHSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000858352531 588948052 /nfs/dbraw/zinc/94/80/52/588948052.db2.gz AWPYCIAGYGIGOU-SOUVJXGZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000858352532 588948195 /nfs/dbraw/zinc/94/81/95/588948195.db2.gz AWPYCIAGYGIGOU-ZNMIVQPWSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]C1CCOCC1 ZINC000858355404 588948164 /nfs/dbraw/zinc/94/81/64/588948164.db2.gz SYEJVUYVMTZFHL-KBPBESRZSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)CCC[C@H](C)[NH2+]C1CCOCC1 ZINC000858355406 588948145 /nfs/dbraw/zinc/94/81/45/588948145.db2.gz SYEJVUYVMTZFHL-KGLIPLIRSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]C1CCOCC1 ZINC000858355407 588948350 /nfs/dbraw/zinc/94/83/50/588948350.db2.gz SYEJVUYVMTZFHL-UONOGXRCSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@@H](C)CCC[C@@H](C)[NH2+]C1CCOCC1 ZINC000858355408 588948303 /nfs/dbraw/zinc/94/83/03/588948303.db2.gz SYEJVUYVMTZFHL-ZIAGYGMSSA-N 1 0 241.419 3.750 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]CC1(C)COC1 ZINC000858364248 588948889 /nfs/dbraw/zinc/94/88/89/588948889.db2.gz DMDWWEIOLDEZLT-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)CCC[C@H](C)[NH2+]CC1(C)COC1 ZINC000858364250 588948597 /nfs/dbraw/zinc/94/85/97/588948597.db2.gz DMDWWEIOLDEZLT-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]CC1(C)COC1 ZINC000858364252 588948930 /nfs/dbraw/zinc/94/89/30/588948930.db2.gz DMDWWEIOLDEZLT-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)CCC[C@@H](C)[NH2+]CC1(C)COC1 ZINC000858364254 588948983 /nfs/dbraw/zinc/94/89/83/588948983.db2.gz DMDWWEIOLDEZLT-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](C)CCC[C@@H](C)[NH2+]Cc1cocn1 ZINC000858390847 588950967 /nfs/dbraw/zinc/95/09/67/588950967.db2.gz PSPYNPIORYMESJ-CHWSQXEVSA-N 1 0 238.375 3.759 20 0 BHADRO CCC[C@@H](C)CCC[C@H](C)[NH2+]Cc1cocn1 ZINC000858390848 588950886 /nfs/dbraw/zinc/95/08/86/588950886.db2.gz PSPYNPIORYMESJ-OLZOCXBDSA-N 1 0 238.375 3.759 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]Cc1cocn1 ZINC000858390849 588951032 /nfs/dbraw/zinc/95/10/32/588951032.db2.gz PSPYNPIORYMESJ-QWHCGFSZSA-N 1 0 238.375 3.759 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]Cc1cocn1 ZINC000858390850 588951101 /nfs/dbraw/zinc/95/11/01/588951101.db2.gz PSPYNPIORYMESJ-STQMWFEESA-N 1 0 238.375 3.759 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+][C@H]1C=CCC1 ZINC000858430587 588953747 /nfs/dbraw/zinc/95/37/47/588953747.db2.gz BVMQUJIZXBGNJM-CVEARBPZSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+][C@H]1C=CCC1 ZINC000858430588 588953734 /nfs/dbraw/zinc/95/37/34/588953734.db2.gz BVMQUJIZXBGNJM-HOTGVXAUSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@H](CCc1ccccc1)[NH2+][C@@H]1C=CCC1 ZINC000858430589 588953825 /nfs/dbraw/zinc/95/38/25/588953825.db2.gz BVMQUJIZXBGNJM-HZPDHXFCSA-N 1 0 229.367 3.706 20 0 BHADRO CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C=CCC1 ZINC000858430590 588953995 /nfs/dbraw/zinc/95/39/95/588953995.db2.gz BVMQUJIZXBGNJM-JKSUJKDBSA-N 1 0 229.367 3.706 20 0 BHADRO CCC[C@H](C)CCC[C@H](C)[NH2+]Cc1ncccn1 ZINC000858432964 588954587 /nfs/dbraw/zinc/95/45/87/588954587.db2.gz YMJNCBMBHBYAMG-KBPBESRZSA-N 1 0 249.402 3.561 20 0 BHADRO CCC[C@@H](C)CCC[C@H](C)[NH2+]Cc1ncccn1 ZINC000858432965 588954187 /nfs/dbraw/zinc/95/41/87/588954187.db2.gz YMJNCBMBHBYAMG-KGLIPLIRSA-N 1 0 249.402 3.561 20 0 BHADRO CCC[C@H](C)CCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC000858432966 588954591 /nfs/dbraw/zinc/95/45/91/588954591.db2.gz YMJNCBMBHBYAMG-UONOGXRCSA-N 1 0 249.402 3.561 20 0 BHADRO CCC[C@@H](C)CCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC000858432967 588954175 /nfs/dbraw/zinc/95/41/75/588954175.db2.gz YMJNCBMBHBYAMG-ZIAGYGMSSA-N 1 0 249.402 3.561 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445955 588955893 /nfs/dbraw/zinc/95/58/93/588955893.db2.gz RYTFRQPABLXAFK-CABCVRRESA-N 1 0 241.419 3.752 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445956 588956070 /nfs/dbraw/zinc/95/60/70/588956070.db2.gz RYTFRQPABLXAFK-GJZGRUSLSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000858445957 588955978 /nfs/dbraw/zinc/95/59/78/588955978.db2.gz RYTFRQPABLXAFK-HUUCEWRRSA-N 1 0 241.419 3.752 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000858445958 588955961 /nfs/dbraw/zinc/95/59/61/588955961.db2.gz RYTFRQPABLXAFK-LSDHHAIUSA-N 1 0 241.419 3.752 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000858537496 588963872 /nfs/dbraw/zinc/96/38/72/588963872.db2.gz NVPKEILPABFCCC-LWTINBJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000858537499 588963495 /nfs/dbraw/zinc/96/34/95/588963495.db2.gz NVPKEILPABFCCC-ORAHPGNNSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000858537501 588963886 /nfs/dbraw/zinc/96/38/86/588963886.db2.gz NVPKEILPABFCCC-UMCURTJPSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000858537503 588963907 /nfs/dbraw/zinc/96/39/07/588963907.db2.gz NVPKEILPABFCCC-YEZKRMTDSA-N 1 0 239.746 3.575 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000858538702 588963624 /nfs/dbraw/zinc/96/36/24/588963624.db2.gz XGUDYZJUACHBEG-FMFIFOJESA-N 1 0 233.355 3.539 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000858538704 588963685 /nfs/dbraw/zinc/96/36/85/588963685.db2.gz XGUDYZJUACHBEG-FWWRYZNZSA-N 1 0 233.355 3.539 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000858538707 588963518 /nfs/dbraw/zinc/96/35/18/588963518.db2.gz XGUDYZJUACHBEG-KTRBRXNASA-N 1 0 233.355 3.539 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000858538709 588963627 /nfs/dbraw/zinc/96/36/27/588963627.db2.gz XGUDYZJUACHBEG-YBJDMEARSA-N 1 0 233.355 3.539 20 0 BHADRO CCCCC[C@H]([NH2+]CC1COC1)c1ccccc1 ZINC000858550114 588964771 /nfs/dbraw/zinc/96/47/71/588964771.db2.gz JJPQUINIGLRYGV-INIZCTEOSA-N 1 0 247.382 3.544 20 0 BHADRO CCCCC[C@@H]([NH2+]CC1COC1)c1ccccc1 ZINC000858550115 588964635 /nfs/dbraw/zinc/96/46/35/588964635.db2.gz JJPQUINIGLRYGV-MRXNPFEDSA-N 1 0 247.382 3.544 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858577267 588968152 /nfs/dbraw/zinc/96/81/52/588968152.db2.gz JTTCMNMJRMUDQJ-NEPJUHHUSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858577269 588968451 /nfs/dbraw/zinc/96/84/51/588968451.db2.gz JTTCMNMJRMUDQJ-NWDGAFQWSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858577272 588968387 /nfs/dbraw/zinc/96/83/87/588968387.db2.gz JTTCMNMJRMUDQJ-RYUDHWBXSA-N 1 0 238.400 3.929 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858577274 588968340 /nfs/dbraw/zinc/96/83/40/588968340.db2.gz JTTCMNMJRMUDQJ-VXGBXAGGSA-N 1 0 238.400 3.929 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)no1 ZINC000859060243 588995555 /nfs/dbraw/zinc/99/55/55/588995555.db2.gz PMNDOSAUSGBDPT-AWEZNQCLSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)no1 ZINC000859060247 588995406 /nfs/dbraw/zinc/99/54/06/588995406.db2.gz PMNDOSAUSGBDPT-CQSZACIVSA-N 1 0 248.370 3.556 20 0 BHADRO CCCCC[N@H+](Cc1ccnc(F)c1)C(C)C ZINC000859072441 588997325 /nfs/dbraw/zinc/99/73/25/588997325.db2.gz DTLAFRUMMUNFIZ-UHFFFAOYSA-N 1 0 238.350 3.621 20 0 BHADRO Fc1cc(C[N@H+](C2CC2)C2CCCCC2)ccn1 ZINC000859076509 588997541 /nfs/dbraw/zinc/99/75/41/588997541.db2.gz IAAFYELCWNZSGK-UHFFFAOYSA-N 1 0 248.345 3.518 20 0 BHADRO CCC(CC)[N@H+](CC(C)C)CC1CC(OC)C1 ZINC000859155361 589011049 /nfs/dbraw/zinc/01/10/49/589011049.db2.gz BIZLLJSNHZVITB-UHFFFAOYSA-N 1 0 241.419 3.558 20 0 BHADRO Fc1cc(C[N@@H+]2CCCC23CCCCC3)ccn1 ZINC000859209889 589019456 /nfs/dbraw/zinc/01/94/56/589019456.db2.gz OCQGBTQQNLVIHR-UHFFFAOYSA-N 1 0 248.345 3.519 20 0 BHADRO CC(C)[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccn1 ZINC000859235637 589022949 /nfs/dbraw/zinc/02/29/49/589022949.db2.gz UPHLQEWTSDJQCB-HNNXBMFYSA-N 1 0 246.398 3.805 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccn1 ZINC000859235639 589023574 /nfs/dbraw/zinc/02/35/74/589023574.db2.gz UPHLQEWTSDJQCB-OAHLLOKOSA-N 1 0 246.398 3.805 20 0 BHADRO CCC[C@@H](C)CCC[NH+]1CCC(C(C)=O)CC1 ZINC000859323743 589031485 /nfs/dbraw/zinc/03/14/85/589031485.db2.gz JRAPFCIJBRPCSD-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)CCC[NH+]1CCC(C(C)=O)CC1 ZINC000859323744 589028977 /nfs/dbraw/zinc/02/89/77/589028977.db2.gz JRAPFCIJBRPCSD-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC000859428710 589036645 /nfs/dbraw/zinc/03/66/45/589036645.db2.gz CKRKDSKZLREUBX-PHIMTYICSA-N 1 0 243.322 3.510 20 0 BHADRO Cc1ccc(C[N@H+](CCF)C(C)(C)C)cc1 ZINC000859437947 589037199 /nfs/dbraw/zinc/03/71/99/589037199.db2.gz IGOUARWWTAIXEC-UHFFFAOYSA-N 1 0 223.335 3.565 20 0 BHADRO CC1(C)CCC(C)(C)[N@H+](Cc2cscn2)C1 ZINC000859471921 589039527 /nfs/dbraw/zinc/03/95/27/589039527.db2.gz HXRVMPNIZLBIDW-UHFFFAOYSA-N 1 0 238.400 3.544 20 0 BHADRO CCCCCC[N@@H+]1CCCC(F)(F)CC1 ZINC000859534715 589043292 /nfs/dbraw/zinc/04/32/92/589043292.db2.gz DSYXIQIBVDIBQN-UHFFFAOYSA-N 1 0 219.319 3.688 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859543138 589043864 /nfs/dbraw/zinc/04/38/64/589043864.db2.gz UVBVHXCGTGTLLB-OLZOCXBDSA-N 1 0 227.417 3.537 20 0 BHADRO CC(C)Oc1ccc(C[NH+](C2CC2)C2CC2)cc1 ZINC000859622998 589049746 /nfs/dbraw/zinc/04/97/46/589049746.db2.gz QKHKSBVPOKNZKS-UHFFFAOYSA-N 1 0 245.366 3.601 20 0 BHADRO CCCCCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000859835714 589064726 /nfs/dbraw/zinc/06/47/26/589064726.db2.gz AATBLNIPTGWEMR-LLVKDONJSA-N 1 0 219.319 3.686 20 0 BHADRO CCCCCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000859835715 589064689 /nfs/dbraw/zinc/06/46/89/589064689.db2.gz AATBLNIPTGWEMR-NSHDSACASA-N 1 0 219.319 3.686 20 0 BHADRO c1ccc([C@H]2C[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]32)cc1 ZINC000859927567 589071710 /nfs/dbraw/zinc/07/17/10/589071710.db2.gz LFONHANBNWXSPL-OIISXLGYSA-N 1 0 241.378 3.665 20 0 BHADRO CC[C@H](C)[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928170 589071892 /nfs/dbraw/zinc/07/18/92/589071892.db2.gz FBDYLJRNPGHIHO-QCEMKRCNSA-N 1 0 229.367 3.520 20 0 BHADRO CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928173 589071495 /nfs/dbraw/zinc/07/14/95/589071495.db2.gz FBDYLJRNPGHIHO-SYAUCNOPSA-N 1 0 229.367 3.520 20 0 BHADRO C[C@]12CCCC[C@H]1C[N@@H+]2CC=C(Cl)Cl ZINC000860047679 589077017 /nfs/dbraw/zinc/07/70/17/589077017.db2.gz GWTDLLKRJVTBIF-ONGXEEELSA-N 1 0 234.170 3.570 20 0 BHADRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccsc1 ZINC000860047844 589077302 /nfs/dbraw/zinc/07/73/02/589077302.db2.gz JFONEXZLYFZCKM-STQMWFEESA-N 1 0 221.369 3.513 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCC1)c1ccns1 ZINC000860053670 589076996 /nfs/dbraw/zinc/07/69/96/589076996.db2.gz BOQZGGOTFRVUEA-LLVKDONJSA-N 1 0 238.400 3.764 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCC1)c1ccns1 ZINC000860053671 589076565 /nfs/dbraw/zinc/07/65/65/589076565.db2.gz BOQZGGOTFRVUEA-NSHDSACASA-N 1 0 238.400 3.764 20 0 BHADRO CC(C)c1cnc(C[N@@H+]2CCCC3(CC3)CC2)o1 ZINC000860069937 589078943 /nfs/dbraw/zinc/07/89/43/589078943.db2.gz PQHKIVTVNPBAGQ-UHFFFAOYSA-N 1 0 248.370 3.564 20 0 BHADRO c1csc(CC[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000860071190 589079626 /nfs/dbraw/zinc/07/96/26/589079626.db2.gz ZBISYVIQJSYJTG-UHFFFAOYSA-N 1 0 235.396 3.557 20 0 BHADRO Cl/C=C(/Cl)C[N@@H+]1CCCC2(CC2)CC1 ZINC000860072479 589079578 /nfs/dbraw/zinc/07/95/78/589079578.db2.gz DYPHLOQOOHPOLF-CSKARUKUSA-N 1 0 234.170 3.572 20 0 BHADRO Cl/C=C(\Cl)C[N@@H+]1CCCC2(CC2)CC1 ZINC000860072480 589079440 /nfs/dbraw/zinc/07/94/40/589079440.db2.gz DYPHLOQOOHPOLF-NTMALXAHSA-N 1 0 234.170 3.572 20 0 BHADRO C/C=C\C[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000860184596 589088133 /nfs/dbraw/zinc/08/81/33/589088133.db2.gz HJQDNFWQBCJPJC-DLGQBQFBSA-N 1 0 243.341 3.710 20 0 BHADRO C/C=C/C[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000860184597 589087891 /nfs/dbraw/zinc/08/78/91/589087891.db2.gz HJQDNFWQBCJPJC-JDGPPOGSSA-N 1 0 243.341 3.710 20 0 BHADRO C/C=C/C[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000860184598 589088080 /nfs/dbraw/zinc/08/80/80/589088080.db2.gz HJQDNFWQBCJPJC-QAVQXKDTSA-N 1 0 243.341 3.710 20 0 BHADRO C/C=C\C[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000860184599 582513366 /nfs/dbraw/zinc/51/33/66/582513366.db2.gz HJQDNFWQBCJPJC-ZZKXABKFSA-N 1 0 243.341 3.710 20 0 BHADRO CC(C)[N@H+](Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000862225288 589195557 /nfs/dbraw/zinc/19/55/57/589195557.db2.gz QKPJDTDMCLMOEL-UHFFFAOYSA-N 1 0 248.370 3.705 20 0 BHADRO C[C@]1(C[N@@H+]2CCC3(CCCC3)C2)CCCS1 ZINC000862242779 589197118 /nfs/dbraw/zinc/19/71/18/589197118.db2.gz QQAJFOFOZWDRAX-CYBMUJFWSA-N 1 0 239.428 3.538 20 0 BHADRO C[C@@]1(C[N@@H+]2CCC3(CCCC3)C2)CCCS1 ZINC000862242780 589196731 /nfs/dbraw/zinc/19/67/31/589196731.db2.gz QQAJFOFOZWDRAX-ZDUSSCGKSA-N 1 0 239.428 3.538 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862262793 589197448 /nfs/dbraw/zinc/19/74/48/589197448.db2.gz GDKMTFDIYVJFIO-LLVKDONJSA-N 1 0 238.350 3.588 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862262799 589197341 /nfs/dbraw/zinc/19/73/41/589197341.db2.gz GDKMTFDIYVJFIO-NSHDSACASA-N 1 0 238.350 3.588 20 0 BHADRO Cc1c(C[NH2+]CCC2=CCCCC2)ccnc1F ZINC000862262990 589197451 /nfs/dbraw/zinc/19/74/51/589197451.db2.gz IUWMDDFYBULUJZ-UHFFFAOYSA-N 1 0 248.345 3.509 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862263483 589197319 /nfs/dbraw/zinc/19/73/19/589197319.db2.gz YJEZPSLGVWKSOQ-GHMZBOCLSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862263484 589197684 /nfs/dbraw/zinc/19/76/84/589197684.db2.gz YJEZPSLGVWKSOQ-MNOVXSKESA-N 1 0 233.346 3.979 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862263485 589197434 /nfs/dbraw/zinc/19/74/34/589197434.db2.gz YJEZPSLGVWKSOQ-QWRGUYRKSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862263486 589197779 /nfs/dbraw/zinc/19/77/79/589197779.db2.gz YJEZPSLGVWKSOQ-WDEREUQCSA-N 1 0 233.346 3.979 20 0 BHADRO CCCCCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862264500 589198378 /nfs/dbraw/zinc/19/83/78/589198378.db2.gz UAVWLYRDCKRNPG-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCCCCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862264501 589198065 /nfs/dbraw/zinc/19/80/65/589198065.db2.gz UAVWLYRDCKRNPG-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccnc(F)c1C ZINC000862277990 589198730 /nfs/dbraw/zinc/19/87/30/589198730.db2.gz BUJVHAUJFWFHMW-UHFFFAOYSA-N 1 0 238.350 3.588 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1CC(F)(F)C1 ZINC000862279902 589198641 /nfs/dbraw/zinc/19/86/41/589198641.db2.gz WSXITRJKMZBVFT-NXEZZACHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862279905 589198527 /nfs/dbraw/zinc/19/85/27/589198527.db2.gz WSXITRJKMZBVFT-UWVGGRQHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862279908 589198665 /nfs/dbraw/zinc/19/86/65/589198665.db2.gz WSXITRJKMZBVFT-VHSXEESVSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862279912 589198821 /nfs/dbraw/zinc/19/88/21/589198821.db2.gz WSXITRJKMZBVFT-ZJUUUORDSA-N 1 0 233.346 3.692 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000862291296 589199906 /nfs/dbraw/zinc/19/99/06/589199906.db2.gz NITFSXUBHLCFRW-KBPBESRZSA-N 1 0 242.366 3.777 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000862291297 589200189 /nfs/dbraw/zinc/20/01/89/589200189.db2.gz NITFSXUBHLCFRW-KGLIPLIRSA-N 1 0 242.366 3.777 20 0 BHADRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000862291298 589200030 /nfs/dbraw/zinc/20/00/30/589200030.db2.gz NITFSXUBHLCFRW-UONOGXRCSA-N 1 0 242.366 3.777 20 0 BHADRO Cc1ccc([C@H](C)C[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000862291299 589200227 /nfs/dbraw/zinc/20/02/27/589200227.db2.gz NITFSXUBHLCFRW-ZIAGYGMSSA-N 1 0 242.366 3.777 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccnc(F)c1C ZINC000862372007 589205154 /nfs/dbraw/zinc/20/51/54/589205154.db2.gz LTXDYGBNJPFOBY-LLVKDONJSA-N 1 0 238.350 3.540 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccnc(F)c1C ZINC000862372008 589205287 /nfs/dbraw/zinc/20/52/87/589205287.db2.gz LTXDYGBNJPFOBY-NSHDSACASA-N 1 0 238.350 3.540 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1ccnc(F)c1C ZINC000862372189 589205214 /nfs/dbraw/zinc/20/52/14/589205214.db2.gz TXYAVMMVXUPUHB-UHFFFAOYSA-N 1 0 238.350 3.540 20 0 BHADRO c1nc(C2CC2)oc1C[NH+]1CCCCCCCC1 ZINC000862387206 589207350 /nfs/dbraw/zinc/20/73/50/589207350.db2.gz HUPIZENUSOTMEM-UHFFFAOYSA-N 1 0 248.370 3.708 20 0 BHADRO CC1(C)CCC[C@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000862433862 589212530 /nfs/dbraw/zinc/21/25/30/589212530.db2.gz MTXQHZFIYVUSAB-CXQJBGSLSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C)CCC[C@@H]1CC[NH2+]C1CC(C(F)F)C1 ZINC000862433863 589212430 /nfs/dbraw/zinc/21/24/30/589212430.db2.gz MTXQHZFIYVUSAB-MOENNCHZSA-N 1 0 245.357 3.836 20 0 BHADRO c1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862441836 589213542 /nfs/dbraw/zinc/21/35/42/589213542.db2.gz WXTVVXTWFDOWLA-CALCHBBNSA-N 1 0 249.357 3.805 20 0 BHADRO Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)c(C)o1 ZINC000862466789 589216766 /nfs/dbraw/zinc/21/67/66/589216766.db2.gz KUSMKAJPRNHROZ-UHFFFAOYSA-N 1 0 243.297 3.518 20 0 BHADRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccns1 ZINC000862539625 589218320 /nfs/dbraw/zinc/21/83/20/589218320.db2.gz PCHUCVJQRXYFAO-KPPDAEKUSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccns1 ZINC000862539629 589218147 /nfs/dbraw/zinc/21/81/47/589218147.db2.gz PCHUCVJQRXYFAO-WHXUTIOJSA-N 1 0 238.400 3.618 20 0 BHADRO CC[NH+](CC)CCSCCC(F)=C(F)F ZINC000863307787 589278148 /nfs/dbraw/zinc/27/81/48/589278148.db2.gz GPYSJNKYGQFTTR-UHFFFAOYSA-N 1 0 241.322 3.529 20 0 BHADRO CC(C)SCSCC[NH+](C(C)C)C(C)C ZINC000863316122 589278894 /nfs/dbraw/zinc/27/88/94/589278894.db2.gz KTTVIYGWCZLSDZ-UHFFFAOYSA-N 1 0 249.489 3.938 20 0 BHADRO Cc1[nH+]c2c(n1CCC(F)=C(F)F)CCCC2 ZINC000863341552 589280611 /nfs/dbraw/zinc/28/06/11/589280611.db2.gz SKBUMRAGTVDNMX-UHFFFAOYSA-N 1 0 244.260 3.538 20 0 BHADRO c1cc(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000863678030 589310289 /nfs/dbraw/zinc/31/02/89/589310289.db2.gz WEMCGXNUSWSDSO-HNNXBMFYSA-N 1 0 243.375 3.710 20 0 BHADRO c1cc(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000863678031 589310356 /nfs/dbraw/zinc/31/03/56/589310356.db2.gz WEMCGXNUSWSDSO-OAHLLOKOSA-N 1 0 243.375 3.710 20 0 BHADRO Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)c(C)c2)co1 ZINC000863722877 589313174 /nfs/dbraw/zinc/31/31/74/589313174.db2.gz MYQUKANRTMKJKA-INIZCTEOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)c(C)c2)co1 ZINC000863722878 589313093 /nfs/dbraw/zinc/31/30/93/589313093.db2.gz MYQUKANRTMKJKA-MRXNPFEDSA-N 1 0 241.334 3.988 20 0 BHADRO C[NH2+]CC1(c2ccc(-c3coc(C)c3)cc2)CC1 ZINC000863722935 589312940 /nfs/dbraw/zinc/31/29/40/589312940.db2.gz PJMWRYIWQKXTKL-UHFFFAOYSA-N 1 0 241.334 3.506 20 0 BHADRO Cc1cc(-c2cccc(C3CC[NH2+]CC3)c2)co1 ZINC000863723132 589312915 /nfs/dbraw/zinc/31/29/15/589312915.db2.gz UELMBAQDQCPTCY-UHFFFAOYSA-N 1 0 241.334 3.722 20 0 BHADRO Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2C)co1 ZINC000863723139 589313057 /nfs/dbraw/zinc/31/30/57/589313057.db2.gz UOFDNMPSINGTGR-INIZCTEOSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2C)co1 ZINC000863723140 589312974 /nfs/dbraw/zinc/31/29/74/589312974.db2.gz UOFDNMPSINGTGR-MRXNPFEDSA-N 1 0 241.334 3.988 20 0 BHADRO Cc1cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)co1 ZINC000863723350 589313114 /nfs/dbraw/zinc/31/31/14/589313114.db2.gz XNDWFTQOHHHGTL-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2cccc([C@H]3CCC[NH2+]3)c2)co1 ZINC000863723351 589313206 /nfs/dbraw/zinc/31/32/06/589313206.db2.gz XNDWFTQOHHHGTL-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2cccc(C3=CC[NH2+]CC3)c2)co1 ZINC000863723415 589313120 /nfs/dbraw/zinc/31/31/20/589313120.db2.gz YCEPYYBDKHRCNA-UHFFFAOYSA-N 1 0 239.318 3.632 20 0 BHADRO Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)co1 ZINC000863723418 589313229 /nfs/dbraw/zinc/31/32/29/589313229.db2.gz YCPYYGITZLXUPZ-HNNXBMFYSA-N 1 0 227.307 3.680 20 0 BHADRO Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)co1 ZINC000863723420 589313255 /nfs/dbraw/zinc/31/32/55/589313255.db2.gz YCPYYGITZLXUPZ-OAHLLOKOSA-N 1 0 227.307 3.680 20 0 BHADRO C[NH2+]CCc1ccc(-c2cc(F)ccc2C)cc1 ZINC000863724960 589313202 /nfs/dbraw/zinc/31/32/02/589313202.db2.gz DCMBCEVJOJVENA-UHFFFAOYSA-N 1 0 243.325 3.563 20 0 BHADRO C[NH2+]CCc1cccc(-c2cc(F)ccc2C)c1 ZINC000863725439 589313121 /nfs/dbraw/zinc/31/31/21/589313121.db2.gz SVXMTXUHPVQGHJ-UHFFFAOYSA-N 1 0 243.325 3.563 20 0 BHADRO CC1(C)CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000864050801 589333909 /nfs/dbraw/zinc/33/39/09/589333909.db2.gz REFULKQBZFRDNT-UHFFFAOYSA-N 1 0 238.400 3.592 20 0 BHADRO Cc1scc(CNc2[nH+]ccn2C2CC2)c1C ZINC000865293747 589420158 /nfs/dbraw/zinc/42/01/58/589420158.db2.gz UYTVHTFSBCOESO-UHFFFAOYSA-N 1 0 247.367 3.508 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865397135 589432115 /nfs/dbraw/zinc/43/21/15/589432115.db2.gz LXNGVMBTPJCGQU-LLVKDONJSA-N 1 0 246.329 3.652 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865397136 589432053 /nfs/dbraw/zinc/43/20/53/589432053.db2.gz LXNGVMBTPJCGQU-NSHDSACASA-N 1 0 246.329 3.652 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865397715 589431814 /nfs/dbraw/zinc/43/18/14/589431814.db2.gz TVBIIBQGBTXACO-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCCC[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865397716 589432048 /nfs/dbraw/zinc/43/20/48/589432048.db2.gz TVBIIBQGBTXACO-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865398031 589432143 /nfs/dbraw/zinc/43/21/43/589432143.db2.gz PLQHZDDDVKYCIB-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865398032 589432082 /nfs/dbraw/zinc/43/20/82/589432082.db2.gz PLQHZDDDVKYCIB-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CCCCCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865398145 589432107 /nfs/dbraw/zinc/43/21/07/589432107.db2.gz RPROIAHQNRWIMQ-UHFFFAOYSA-N 1 0 242.313 3.689 20 0 BHADRO CCC(CC)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865399175 589432400 /nfs/dbraw/zinc/43/24/00/589432400.db2.gz JPBCKXUOCYVUPA-UHFFFAOYSA-N 1 0 246.329 3.652 20 0 BHADRO CC(C)(C)CC(C)(C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865410258 589434168 /nfs/dbraw/zinc/43/41/68/589434168.db2.gz ODPGNVVODUDCRV-UHFFFAOYSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865439254 589436106 /nfs/dbraw/zinc/43/61/06/589436106.db2.gz PFAZQJSDJVVFCV-UHFFFAOYSA-N 1 0 246.329 3.652 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865449255 589436380 /nfs/dbraw/zinc/43/63/80/589436380.db2.gz WWQBGWGOQDFPLI-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCC[C@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865451245 589437556 /nfs/dbraw/zinc/43/75/56/589437556.db2.gz ZZUHAOZMPKTAEW-JTQLQIEISA-N 1 0 244.741 3.542 20 0 BHADRO CCC[C@@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865451248 589436474 /nfs/dbraw/zinc/43/64/74/589436474.db2.gz ZZUHAOZMPKTAEW-SNVBAGLBSA-N 1 0 244.741 3.542 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865468301 589438443 /nfs/dbraw/zinc/43/84/43/589438443.db2.gz GFXFNSUBVXIAMM-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865468303 589438529 /nfs/dbraw/zinc/43/85/29/589438529.db2.gz GFXFNSUBVXIAMM-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCCC[C@@H](CCC)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484574 589440149 /nfs/dbraw/zinc/44/01/49/589440149.db2.gz YUQJYHGQQGNBDJ-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCC[C@H](CCC)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484575 589440550 /nfs/dbraw/zinc/44/05/50/589440550.db2.gz YUQJYHGQQGNBDJ-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CCC(CC)(CC)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865490774 589441075 /nfs/dbraw/zinc/44/10/75/589441075.db2.gz FWNOTEZLYOOYKI-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Cc1c(Cl)cccc1C[NH2+][C@H](C)c1ccc[nH]1 ZINC000865512400 589442965 /nfs/dbraw/zinc/44/29/65/589442965.db2.gz FDJNYJCKMYUNIA-LLVKDONJSA-N 1 0 248.757 3.827 20 0 BHADRO Cc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000865512401 589443021 /nfs/dbraw/zinc/44/30/21/589443021.db2.gz FDJNYJCKMYUNIA-NSHDSACASA-N 1 0 248.757 3.827 20 0 BHADRO Cc1scc(C[NH2+][C@@H](C)c2ccc[nH]2)c1C ZINC000865512556 589443071 /nfs/dbraw/zinc/44/30/71/589443071.db2.gz PJUQQVBYTKBHPU-JTQLQIEISA-N 1 0 234.368 3.544 20 0 BHADRO Cc1scc(C[NH2+][C@H](C)c2ccc[nH]2)c1C ZINC000865512557 589443105 /nfs/dbraw/zinc/44/31/05/589443105.db2.gz PJUQQVBYTKBHPU-SNVBAGLBSA-N 1 0 234.368 3.544 20 0 BHADRO Cc1c(Cl)cccc1C[NH2+]C1CC(F)(F)C1 ZINC000865543314 589444787 /nfs/dbraw/zinc/44/47/87/589444787.db2.gz IDNHNRGELZRLGS-UHFFFAOYSA-N 1 0 245.700 3.536 20 0 BHADRO Cc1ccoc1C[NH2+]Cc1cccc(Cl)c1C ZINC000865578172 589448377 /nfs/dbraw/zinc/44/83/77/589448377.db2.gz VDQQBVIWWOEUQA-UHFFFAOYSA-N 1 0 249.741 3.840 20 0 BHADRO Cc1c(Cl)cccc1C[NH2+]CCC(C)(F)F ZINC000865583460 589449137 /nfs/dbraw/zinc/44/91/37/589449137.db2.gz VGDBPIPBSXYZEP-UHFFFAOYSA-N 1 0 247.716 3.783 20 0 BHADRO CCC[C@H]([NH2+]Cc1cn(C2CC2)cn1)C(C)(C)C ZINC000865587643 589449169 /nfs/dbraw/zinc/44/91/69/589449169.db2.gz SZMDKSWSGRJHEC-AWEZNQCLSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)C(C)(C)C ZINC000865587644 589448978 /nfs/dbraw/zinc/44/89/78/589448978.db2.gz SZMDKSWSGRJHEC-CQSZACIVSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CC23CC3)c1 ZINC000865609720 589451071 /nfs/dbraw/zinc/45/10/71/589451071.db2.gz QANGHNSBTGELGI-AWEZNQCLSA-N 1 0 245.366 3.506 20 0 BHADRO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CC23CC3)c1 ZINC000865609721 589451195 /nfs/dbraw/zinc/45/11/95/589451195.db2.gz QANGHNSBTGELGI-CQSZACIVSA-N 1 0 245.366 3.506 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000865661120 589454980 /nfs/dbraw/zinc/45/49/80/589454980.db2.gz WQXOEEUNOBJVOR-HNNXBMFYSA-N 1 0 247.313 3.834 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000865661121 589454989 /nfs/dbraw/zinc/45/49/89/589454989.db2.gz WQXOEEUNOBJVOR-OAHLLOKOSA-N 1 0 247.313 3.834 20 0 BHADRO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000865696574 589456997 /nfs/dbraw/zinc/45/69/97/589456997.db2.gz GCGVZLHITNVQFR-KGLIPLIRSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000865697123 589456862 /nfs/dbraw/zinc/45/68/62/589456862.db2.gz SXTDWFMBYWZWRR-HIFRSBDPSA-N 1 0 246.329 3.538 20 0 BHADRO CC(C)(C)OC1CCC([NH2+]C2CCCC2)CC1 ZINC000865698377 589457060 /nfs/dbraw/zinc/45/70/60/589457060.db2.gz MUIHUUQFGBTCMA-UHFFFAOYSA-N 1 0 239.403 3.645 20 0 BHADRO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000865698415 589457068 /nfs/dbraw/zinc/45/70/68/589457068.db2.gz ADEBLSKEMLABLD-KGLIPLIRSA-N 1 0 246.329 3.538 20 0 BHADRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000865698626 589457233 /nfs/dbraw/zinc/45/72/33/589457233.db2.gz QOIJFIXXTCMXTB-LMWSTFAQSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000865698627 589457312 /nfs/dbraw/zinc/45/73/12/589457312.db2.gz QOIJFIXXTCMXTB-XGNXJENSSA-N 1 0 239.403 3.501 20 0 BHADRO CC(C)(C)OC1CCC([NH2+]CC2(C)CC2)CC1 ZINC000865698637 589457273 /nfs/dbraw/zinc/45/72/73/589457273.db2.gz QSWIAFXOAWXOHU-UHFFFAOYSA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](C)C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865698643 589457301 /nfs/dbraw/zinc/45/73/01/589457301.db2.gz QVYMEMSXRGYKKB-HSBZDZAISA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](C)C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865698644 589457044 /nfs/dbraw/zinc/45/70/44/589457044.db2.gz QVYMEMSXRGYKKB-IYXRBSQSSA-N 1 0 241.419 3.748 20 0 BHADRO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000865698988 589457236 /nfs/dbraw/zinc/45/72/36/589457236.db2.gz JTPCJUCZRKDFFN-HIFRSBDPSA-N 1 0 246.329 3.538 20 0 BHADRO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000865699069 584027335 /nfs/dbraw/zinc/02/73/35/584027335.db2.gz LLNUGGGGMHNDSF-HIFRSBDPSA-N 1 0 246.329 3.538 20 0 BHADRO CC(C)(C)C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865699240 589457040 /nfs/dbraw/zinc/45/70/40/589457040.db2.gz XDAWCRRGNBSEDY-UHFFFAOYSA-N 1 0 241.419 3.748 20 0 BHADRO CCC(CC)(C[NH2+][C@H](C)C1CC1)C(F)(F)F ZINC000865756345 589460956 /nfs/dbraw/zinc/46/09/56/589460956.db2.gz KHNUUZAMIQPHNQ-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)(C[NH2+][C@@H](C)C1CC1)C(F)(F)F ZINC000865756346 589460941 /nfs/dbraw/zinc/46/09/41/589460941.db2.gz KHNUUZAMIQPHNQ-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)(C[NH2+]Cc1ccoc1)C(F)(F)F ZINC000865756762 589461272 /nfs/dbraw/zinc/46/12/72/589461272.db2.gz AEHPFQZWJBEJLD-UHFFFAOYSA-N 1 0 249.276 3.738 20 0 BHADRO CC(C)(C)C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781573 589461777 /nfs/dbraw/zinc/46/17/77/589461777.db2.gz COBWSVBJZMDDDZ-WDEREUQCSA-N 1 0 249.320 3.767 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]C1CCCC1 ZINC000865782238 589461711 /nfs/dbraw/zinc/46/17/11/589461711.db2.gz OAZKEUGUFNRSRG-CMPLNLGQSA-N 1 0 247.304 3.663 20 0 BHADRO CC1(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000865782476 589461744 /nfs/dbraw/zinc/46/17/44/589461744.db2.gz VTPFGSBUKIEKID-WDEREUQCSA-N 1 0 247.304 3.521 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000865782594 589461710 /nfs/dbraw/zinc/46/17/10/589461710.db2.gz ZFRCJIZJQBDJOL-ADEWGFFLSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000865782595 589461656 /nfs/dbraw/zinc/46/16/56/589461656.db2.gz ZFRCJIZJQBDJOL-ZMLRMANQSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000865789250 589461863 /nfs/dbraw/zinc/46/18/63/589461863.db2.gz UOPZMUXQVIVPMN-DLOVCJGASA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000865789251 589461851 /nfs/dbraw/zinc/46/18/51/589461851.db2.gz UOPZMUXQVIVPMN-USWWRNFRSA-N 1 0 245.357 3.692 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)C(C)(F)F)c(C)o1 ZINC000865789728 589462218 /nfs/dbraw/zinc/46/22/18/589462218.db2.gz PJUWAEQQZVLXTN-UHFFFAOYSA-N 1 0 245.313 3.667 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000865814533 589462977 /nfs/dbraw/zinc/46/29/77/589462977.db2.gz JSHNWPBNFIQHCI-UHFFFAOYSA-N 1 0 249.379 3.928 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccsc2)o1 ZINC000865814911 589462932 /nfs/dbraw/zinc/46/29/32/589462932.db2.gz QQQWIZZEDOMMGP-UHFFFAOYSA-N 1 0 249.379 3.928 20 0 BHADRO CC[C@@H](C)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865829632 589463719 /nfs/dbraw/zinc/46/37/19/589463719.db2.gz DEGIQWTUFLDWNJ-GMTAPVOTSA-N 1 0 235.293 3.519 20 0 BHADRO CC[C@H](C)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865829634 589463728 /nfs/dbraw/zinc/46/37/28/589463728.db2.gz DEGIQWTUFLDWNJ-HBNTYKKESA-N 1 0 235.293 3.519 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CC1CCCC1 ZINC000865831987 589463734 /nfs/dbraw/zinc/46/37/34/589463734.db2.gz FRRQOMVKMXYKGQ-VXGBXAGGSA-N 1 0 247.304 3.663 20 0 BHADRO CC(C)=CCC[C@@H](C)Nc1ccc([C@@H](C)O)cn1 ZINC000865849524 589464853 /nfs/dbraw/zinc/46/48/53/589464853.db2.gz ZVGXRALLWVQOKC-CHWSQXEVSA-N 1 0 248.370 3.682 20 0 BHADRO CC(C)=CCC[C@@H](C)Nc1ccc([C@H](C)O)cn1 ZINC000865849525 589465029 /nfs/dbraw/zinc/46/50/29/589465029.db2.gz ZVGXRALLWVQOKC-OLZOCXBDSA-N 1 0 248.370 3.682 20 0 BHADRO CC(C)=CCC[C@H](C)Nc1ccc([C@@H](C)O)cn1 ZINC000865849526 589465017 /nfs/dbraw/zinc/46/50/17/589465017.db2.gz ZVGXRALLWVQOKC-QWHCGFSZSA-N 1 0 248.370 3.682 20 0 BHADRO CC(C)=CCC[C@H](C)Nc1ccc([C@H](C)O)cn1 ZINC000865849527 589464997 /nfs/dbraw/zinc/46/49/97/589464997.db2.gz ZVGXRALLWVQOKC-STQMWFEESA-N 1 0 248.370 3.682 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000865854355 645725232 /nfs/dbraw/zinc/72/52/32/645725232.db2.gz NTYCGECOJUKUAB-NEPJUHHUSA-N 1 0 246.354 3.915 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000865854356 645725399 /nfs/dbraw/zinc/72/53/99/645725399.db2.gz NTYCGECOJUKUAB-NWDGAFQWSA-N 1 0 246.354 3.915 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000865854357 645724742 /nfs/dbraw/zinc/72/47/42/645724742.db2.gz NTYCGECOJUKUAB-RYUDHWBXSA-N 1 0 246.354 3.915 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000865854358 645725073 /nfs/dbraw/zinc/72/50/73/645725073.db2.gz NTYCGECOJUKUAB-VXGBXAGGSA-N 1 0 246.354 3.915 20 0 BHADRO CCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866211469 589480605 /nfs/dbraw/zinc/48/06/05/589480605.db2.gz IEJNQHISNKIOSD-MRVPVSSYSA-N 1 0 238.718 3.542 20 0 BHADRO CCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866211470 589480759 /nfs/dbraw/zinc/48/07/59/589480759.db2.gz IEJNQHISNKIOSD-QMMMGPOBSA-N 1 0 238.718 3.542 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCCC[C@H]1C ZINC000866212940 589480914 /nfs/dbraw/zinc/48/09/14/589480914.db2.gz LIPDGPRXMNJQKH-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000866212952 589480912 /nfs/dbraw/zinc/48/09/12/589480912.db2.gz LIPDGPRXMNJQKH-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000866212954 589480861 /nfs/dbraw/zinc/48/08/61/589480861.db2.gz LIPDGPRXMNJQKH-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000866212956 589480845 /nfs/dbraw/zinc/48/08/45/589480845.db2.gz LIPDGPRXMNJQKH-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]C1CCCCCC1 ZINC000866213329 589481011 /nfs/dbraw/zinc/48/10/11/589481011.db2.gz ULXSAVPIARBBGM-AWEZNQCLSA-N 1 0 246.398 3.715 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]C1CCCCCC1 ZINC000866213330 589480999 /nfs/dbraw/zinc/48/09/99/589480999.db2.gz ULXSAVPIARBBGM-CQSZACIVSA-N 1 0 246.398 3.715 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]CC1CCCCC1 ZINC000866214565 589481286 /nfs/dbraw/zinc/48/12/86/589481286.db2.gz PSLQCMVKEWDXHR-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]CC1CCCCC1 ZINC000866214568 589481292 /nfs/dbraw/zinc/48/12/92/589481292.db2.gz PSLQCMVKEWDXHR-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866214765 589481242 /nfs/dbraw/zinc/48/12/42/589481242.db2.gz RDEQOMRPUJUQOB-CYBMUJFWSA-N 1 0 242.366 3.554 20 0 BHADRO CC(C)[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866214768 589481219 /nfs/dbraw/zinc/48/12/19/589481219.db2.gz RDEQOMRPUJUQOB-ZDUSSCGKSA-N 1 0 242.366 3.554 20 0 BHADRO CCCCCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866215202 589481082 /nfs/dbraw/zinc/48/10/82/589481082.db2.gz VYCVXJWYMHMBHC-AWEZNQCLSA-N 1 0 234.387 3.573 20 0 BHADRO CCCCCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866215203 589481088 /nfs/dbraw/zinc/48/10/88/589481088.db2.gz VYCVXJWYMHMBHC-CQSZACIVSA-N 1 0 234.387 3.573 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]CCC1CCCC1 ZINC000866221740 589481570 /nfs/dbraw/zinc/48/15/70/589481570.db2.gz SSEIMAHZCXENFP-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]CCC1CCCC1 ZINC000866221741 589481394 /nfs/dbraw/zinc/48/13/94/589481394.db2.gz SSEIMAHZCXENFP-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000866241362 589482442 /nfs/dbraw/zinc/48/24/42/589482442.db2.gz CHDKPGASDZNLSI-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000866241363 589482447 /nfs/dbraw/zinc/48/24/47/589482447.db2.gz CHDKPGASDZNLSI-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000866241364 589482386 /nfs/dbraw/zinc/48/23/86/589482386.db2.gz CHDKPGASDZNLSI-IJEWVQPXSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000866241365 589482493 /nfs/dbraw/zinc/48/24/93/589482493.db2.gz CHDKPGASDZNLSI-YCPHGPKFSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)C1CCCC1 ZINC000866267020 589483760 /nfs/dbraw/zinc/48/37/60/589483760.db2.gz XXKVJGIWTWPWPM-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)C1CCCC1 ZINC000866267021 589483709 /nfs/dbraw/zinc/48/37/09/589483709.db2.gz XXKVJGIWTWPWPM-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCc1cccnc1)C1CCCC1 ZINC000866267022 589483719 /nfs/dbraw/zinc/48/37/19/589483719.db2.gz XXKVJGIWTWPWPM-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H](C)C1CCCC1 ZINC000866267023 589483751 /nfs/dbraw/zinc/48/37/51/589483751.db2.gz XXKVJGIWTWPWPM-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1(C[NH2+][C@@H](C)CCc2cccnc2)CCC1 ZINC000866279907 589484108 /nfs/dbraw/zinc/48/41/08/589484108.db2.gz IGKVJFDCPWBZLC-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO CCC1(C[NH2+][C@H](C)CCc2cccnc2)CCC1 ZINC000866279908 589484234 /nfs/dbraw/zinc/48/42/34/589484234.db2.gz IGKVJFDCPWBZLC-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCc1cccnc1 ZINC000866281550 589484131 /nfs/dbraw/zinc/48/41/31/589484131.db2.gz ALGRSKKSKQHBDK-BMFZPTHFSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCc1cccnc1 ZINC000866281552 589484210 /nfs/dbraw/zinc/48/42/10/589484210.db2.gz ALGRSKKSKQHBDK-FVQBIDKESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCc1cccnc1 ZINC000866281555 589484119 /nfs/dbraw/zinc/48/41/19/589484119.db2.gz ALGRSKKSKQHBDK-IMJJTQAJSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCc1cccnc1 ZINC000866281556 589484107 /nfs/dbraw/zinc/48/41/07/589484107.db2.gz ALGRSKKSKQHBDK-NUEKZKHPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCCC1(C)C ZINC000866281684 589484043 /nfs/dbraw/zinc/48/40/43/589484043.db2.gz JLZTUBFCAHGUEA-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCCC1(C)C ZINC000866281685 589484242 /nfs/dbraw/zinc/48/42/42/589484242.db2.gz JLZTUBFCAHGUEA-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCCC1(C)C ZINC000866281686 589484240 /nfs/dbraw/zinc/48/42/40/589484240.db2.gz JLZTUBFCAHGUEA-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCCC1(C)C ZINC000866281687 589484123 /nfs/dbraw/zinc/48/41/23/589484123.db2.gz JLZTUBFCAHGUEA-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866292739 589484680 /nfs/dbraw/zinc/48/46/80/589484680.db2.gz QLEKUSQEZBFLHP-DZGCQCFKSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000866292740 589484673 /nfs/dbraw/zinc/48/46/73/589484673.db2.gz QLEKUSQEZBFLHP-HIFRSBDPSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000866292741 589484473 /nfs/dbraw/zinc/48/44/73/589484473.db2.gz QLEKUSQEZBFLHP-UKRRQHHQSA-N 1 0 234.387 3.571 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866292742 589484704 /nfs/dbraw/zinc/48/47/04/589484704.db2.gz QLEKUSQEZBFLHP-ZFWWWQNUSA-N 1 0 234.387 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000866293731 589484512 /nfs/dbraw/zinc/48/45/12/589484512.db2.gz ANWIOGDEWCJIMI-DZKIICNBSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000866293732 589484525 /nfs/dbraw/zinc/48/45/25/589484525.db2.gz ANWIOGDEWCJIMI-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]CC1(C)CCCC1 ZINC000866294906 589484643 /nfs/dbraw/zinc/48/46/43/589484643.db2.gz XWKYPGIONPPDIE-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]CC1(C)CCCC1 ZINC000866294907 589484553 /nfs/dbraw/zinc/48/45/53/589484553.db2.gz XWKYPGIONPPDIE-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)[C@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000866299290 589484927 /nfs/dbraw/zinc/48/49/27/589484927.db2.gz KIJBALCRBHPMEL-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CCCC1CC1)c1ccccn1 ZINC000866299291 589484879 /nfs/dbraw/zinc/48/48/79/589484879.db2.gz KIJBALCRBHPMEL-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1(C[NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866303805 589485081 /nfs/dbraw/zinc/48/50/81/589485081.db2.gz WKWISNULCQIYNJ-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CCC1(C[NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866303806 589485149 /nfs/dbraw/zinc/48/51/49/589485149.db2.gz WKWISNULCQIYNJ-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CCCC1(C[NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866306295 589485310 /nfs/dbraw/zinc/48/53/10/589485310.db2.gz ZQCATOCMZVWEPL-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO CCCC1(C[NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866306297 589485261 /nfs/dbraw/zinc/48/52/61/589485261.db2.gz ZQCATOCMZVWEPL-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CC(C)C([NH2+][C@@H](C)CCc1cccnc1)C(C)C ZINC000866307576 589485467 /nfs/dbraw/zinc/48/54/67/589485467.db2.gz DXEBQUVNJUWEIX-AWEZNQCLSA-N 1 0 248.414 3.673 20 0 BHADRO CC(C)C([NH2+][C@H](C)CCc1cccnc1)C(C)C ZINC000866307577 589485599 /nfs/dbraw/zinc/48/55/99/589485599.db2.gz DXEBQUVNJUWEIX-CQSZACIVSA-N 1 0 248.414 3.673 20 0 BHADRO CC(C)[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccn1 ZINC000866310815 589485753 /nfs/dbraw/zinc/48/57/53/589485753.db2.gz WFQAEHPBPXZSNI-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccn1 ZINC000866310816 589485673 /nfs/dbraw/zinc/48/56/73/589485673.db2.gz WFQAEHPBPXZSNI-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000866312542 589485699 /nfs/dbraw/zinc/48/56/99/589485699.db2.gz WTHPHKOKLAQJFS-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000866312543 589485745 /nfs/dbraw/zinc/48/57/45/589485745.db2.gz WTHPHKOKLAQJFS-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000866312544 589485796 /nfs/dbraw/zinc/48/57/96/589485796.db2.gz WTHPHKOKLAQJFS-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000866312545 589485871 /nfs/dbraw/zinc/48/58/71/589485871.db2.gz WTHPHKOKLAQJFS-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO Cc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000866313053 589485977 /nfs/dbraw/zinc/48/59/77/589485977.db2.gz VDBHPFXXFCYQNS-KBPBESRZSA-N 1 0 242.366 3.605 20 0 BHADRO Cc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000866313054 589485954 /nfs/dbraw/zinc/48/59/54/589485954.db2.gz VDBHPFXXFCYQNS-KGLIPLIRSA-N 1 0 242.366 3.605 20 0 BHADRO Cc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000866313055 589486166 /nfs/dbraw/zinc/48/61/66/589486166.db2.gz VDBHPFXXFCYQNS-UONOGXRCSA-N 1 0 242.366 3.605 20 0 BHADRO Cc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000866313056 589486121 /nfs/dbraw/zinc/48/61/21/589486121.db2.gz VDBHPFXXFCYQNS-ZIAGYGMSSA-N 1 0 242.366 3.605 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)CCC1CC1 ZINC000866340434 589486941 /nfs/dbraw/zinc/48/69/41/589486941.db2.gz JKKJCSBGSUVWQG-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866340435 589486895 /nfs/dbraw/zinc/48/68/95/589486895.db2.gz JKKJCSBGSUVWQG-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)CCC1CC1 ZINC000866340436 589486892 /nfs/dbraw/zinc/48/68/92/589486892.db2.gz JKKJCSBGSUVWQG-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H](C)CCC1CC1 ZINC000866340437 589486919 /nfs/dbraw/zinc/48/69/19/589486919.db2.gz JKKJCSBGSUVWQG-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccccn1 ZINC000866345868 589487133 /nfs/dbraw/zinc/48/71/33/589487133.db2.gz GEYSPSXGKKPUDU-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccn1 ZINC000866345870 589487208 /nfs/dbraw/zinc/48/72/08/589487208.db2.gz GEYSPSXGKKPUDU-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccn1 ZINC000866345872 589487238 /nfs/dbraw/zinc/48/72/38/589487238.db2.gz GEYSPSXGKKPUDU-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccn1 ZINC000866345874 589487221 /nfs/dbraw/zinc/48/72/21/589487221.db2.gz GEYSPSXGKKPUDU-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000866353673 589487797 /nfs/dbraw/zinc/48/77/97/589487797.db2.gz ZKWCVEIWTQDGKA-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1(C)CC1)c1ccccn1 ZINC000866353676 589487637 /nfs/dbraw/zinc/48/76/37/589487637.db2.gz ZKWCVEIWTQDGKA-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO Cc1cccc(C[C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000866363425 589488402 /nfs/dbraw/zinc/48/84/02/589488402.db2.gz KXWGZSDGONHYLZ-GFCCVEGCSA-N 1 0 241.325 3.561 20 0 BHADRO Cc1cccc(C[C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000866363426 589488255 /nfs/dbraw/zinc/48/82/55/589488255.db2.gz KXWGZSDGONHYLZ-LBPRGKRZSA-N 1 0 241.325 3.561 20 0 BHADRO FCCCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866365701 589488164 /nfs/dbraw/zinc/48/81/64/589488164.db2.gz VREFOPIBTCXCID-AWEZNQCLSA-N 1 0 239.309 3.542 20 0 BHADRO FCCCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866365702 589488198 /nfs/dbraw/zinc/48/81/98/589488198.db2.gz VREFOPIBTCXCID-CQSZACIVSA-N 1 0 239.309 3.542 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000866370716 589488472 /nfs/dbraw/zinc/48/84/72/589488472.db2.gz ZYJZJHDRDFKALQ-KBPBESRZSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)CC(C)(C)C ZINC000866370718 589488615 /nfs/dbraw/zinc/48/86/15/589488615.db2.gz ZYJZJHDRDFKALQ-KGLIPLIRSA-N 1 0 248.414 3.817 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866370720 589488531 /nfs/dbraw/zinc/48/85/31/589488531.db2.gz ZYJZJHDRDFKALQ-UONOGXRCSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000866380037 589488963 /nfs/dbraw/zinc/48/89/63/589488963.db2.gz YYCUKEYJORSWLH-IMJJTQAJSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000866380038 589489022 /nfs/dbraw/zinc/48/90/22/589489022.db2.gz YYCUKEYJORSWLH-NUEKZKHPSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccccn1 ZINC000866381226 589489068 /nfs/dbraw/zinc/48/90/68/589489068.db2.gz JQEOJRYWRTUVEC-AYDFFVQHSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccn1 ZINC000866381230 589489017 /nfs/dbraw/zinc/48/90/17/589489017.db2.gz JQEOJRYWRTUVEC-KQTLUZQSSA-N 1 0 244.382 3.557 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866387620 589489296 /nfs/dbraw/zinc/48/92/96/589489296.db2.gz VYRVJBWIUZNKDU-KBPBESRZSA-N 1 0 248.414 3.817 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866387622 589489458 /nfs/dbraw/zinc/48/94/58/589489458.db2.gz VYRVJBWIUZNKDU-KGLIPLIRSA-N 1 0 248.414 3.817 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866387624 589489349 /nfs/dbraw/zinc/48/93/49/589489349.db2.gz VYRVJBWIUZNKDU-UONOGXRCSA-N 1 0 248.414 3.817 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866387626 589489323 /nfs/dbraw/zinc/48/93/23/589489323.db2.gz VYRVJBWIUZNKDU-ZIAGYGMSSA-N 1 0 248.414 3.817 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC(C)(C)F)c1ccccn1 ZINC000866388607 589489459 /nfs/dbraw/zinc/48/94/59/589489459.db2.gz DEQPAMPATAWNIL-CYBMUJFWSA-N 1 0 238.350 3.507 20 0 BHADRO CC(C)[C@H]([NH2+]CCC(C)(C)F)c1ccccn1 ZINC000866388608 589489466 /nfs/dbraw/zinc/48/94/66/589489466.db2.gz DEQPAMPATAWNIL-ZDUSSCGKSA-N 1 0 238.350 3.507 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]CCCC1CCC1 ZINC000866388849 589489321 /nfs/dbraw/zinc/48/93/21/589489321.db2.gz BCJFTLQZFARNCU-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]CCCC1CCC1 ZINC000866388850 589489423 /nfs/dbraw/zinc/48/94/23/589489423.db2.gz BCJFTLQZFARNCU-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390182 589489606 /nfs/dbraw/zinc/48/96/06/589489606.db2.gz ZXFDRPUSZQSAPD-KBPBESRZSA-N 1 0 230.355 3.539 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390186 589489550 /nfs/dbraw/zinc/48/95/50/589489550.db2.gz ZXFDRPUSZQSAPD-KGLIPLIRSA-N 1 0 230.355 3.539 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390187 589489695 /nfs/dbraw/zinc/48/96/95/589489695.db2.gz ZXFDRPUSZQSAPD-UONOGXRCSA-N 1 0 230.355 3.539 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390188 589489531 /nfs/dbraw/zinc/48/95/31/589489531.db2.gz ZXFDRPUSZQSAPD-ZIAGYGMSSA-N 1 0 230.355 3.539 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866391452 589489517 /nfs/dbraw/zinc/48/95/17/589489517.db2.gz IRYIUYXCYJMKNW-AWEZNQCLSA-N 1 0 246.398 3.571 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866391453 589489533 /nfs/dbraw/zinc/48/95/33/589489533.db2.gz IRYIUYXCYJMKNW-CQSZACIVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866403765 589490452 /nfs/dbraw/zinc/49/04/52/589490452.db2.gz RBNPBOIGJVLJQO-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866403774 589490591 /nfs/dbraw/zinc/49/05/91/589490591.db2.gz RBNPBOIGJVLJQO-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866403776 589490625 /nfs/dbraw/zinc/49/06/25/589490625.db2.gz RBNPBOIGJVLJQO-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866403778 589490465 /nfs/dbraw/zinc/49/04/65/589490465.db2.gz RBNPBOIGJVLJQO-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000866410488 589491043 /nfs/dbraw/zinc/49/10/43/589491043.db2.gz KZPMABOGBZMNQA-GWCFXTLKSA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000866410489 589491400 /nfs/dbraw/zinc/49/14/00/589491400.db2.gz KZPMABOGBZMNQA-GXFFZTMASA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000866410490 589490994 /nfs/dbraw/zinc/49/09/94/589490994.db2.gz KZPMABOGBZMNQA-MFKMUULPSA-N 1 0 248.370 3.529 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000866410491 589491328 /nfs/dbraw/zinc/49/13/28/589491328.db2.gz KZPMABOGBZMNQA-ZWNOBZJWSA-N 1 0 248.370 3.529 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccccn1 ZINC000866411626 589491465 /nfs/dbraw/zinc/49/14/65/589491465.db2.gz QYOBJDRZNBQBFG-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCCC12CC2)c1ccccn1 ZINC000866411627 589490967 /nfs/dbraw/zinc/49/09/67/589490967.db2.gz QYOBJDRZNBQBFG-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccccn1 ZINC000866411628 589491047 /nfs/dbraw/zinc/49/10/47/589491047.db2.gz QYOBJDRZNBQBFG-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccccn1 ZINC000866411629 589490978 /nfs/dbraw/zinc/49/09/78/589490978.db2.gz QYOBJDRZNBQBFG-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccs1 ZINC000866448678 589493501 /nfs/dbraw/zinc/49/35/01/589493501.db2.gz JJJPMXCSYZAGHC-GARJFASQSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccs1 ZINC000866448679 589493495 /nfs/dbraw/zinc/49/34/95/589493495.db2.gz JJJPMXCSYZAGHC-OUAUKWLOSA-N 1 0 227.348 3.679 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)o1 ZINC000866449014 589493510 /nfs/dbraw/zinc/49/35/10/589493510.db2.gz PJEVOTXAULGPSO-GRYCIOLGSA-N 1 0 225.307 3.519 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)o1 ZINC000866449015 589493346 /nfs/dbraw/zinc/49/33/46/589493346.db2.gz PJEVOTXAULGPSO-SDDRHHMPSA-N 1 0 225.307 3.519 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccsc1 ZINC000866449706 589493686 /nfs/dbraw/zinc/49/36/86/589493686.db2.gz ZSGFZBXRARDFBC-ADEWGFFLSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccsc1 ZINC000866449707 589493702 /nfs/dbraw/zinc/49/37/02/589493702.db2.gz ZSGFZBXRARDFBC-ZMLRMANQSA-N 1 0 227.348 3.679 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866449762 589494067 /nfs/dbraw/zinc/49/40/67/589494067.db2.gz HKDMEJDREQRBHE-KXUCPTDWSA-N 1 0 241.272 3.588 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866449763 589493713 /nfs/dbraw/zinc/49/37/13/589493713.db2.gz HKDMEJDREQRBHE-LPEHRKFASA-N 1 0 241.272 3.588 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866449841 589494059 /nfs/dbraw/zinc/49/40/59/589494059.db2.gz JJHQAEXCVFFBHY-KGYLQXTDSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866449842 589494065 /nfs/dbraw/zinc/49/40/65/589494065.db2.gz JJHQAEXCVFFBHY-WCFLWFBJSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450605 589493889 /nfs/dbraw/zinc/49/38/89/589493889.db2.gz XKGWELPSUJCBMR-KGYLQXTDSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450606 589493609 /nfs/dbraw/zinc/49/36/09/589493609.db2.gz XKGWELPSUJCBMR-WCFLWFBJSA-N 1 0 241.375 3.549 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866450690 589493707 /nfs/dbraw/zinc/49/37/07/589493707.db2.gz JUOYXOTXJABBLP-ABXWRUBCSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866450691 589493853 /nfs/dbraw/zinc/49/38/53/589493853.db2.gz JUOYXOTXJABBLP-BLYZHGLHSA-N 1 0 239.403 3.501 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866450692 636905650 /nfs/dbraw/zinc/90/56/50/636905650.db2.gz JUOYXOTXJABBLP-GFJIZPEISA-N 1 0 239.403 3.501 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866450693 636905739 /nfs/dbraw/zinc/90/57/39/636905739.db2.gz JUOYXOTXJABBLP-RYSNWHEDSA-N 1 0 239.403 3.501 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000866450917 589493967 /nfs/dbraw/zinc/49/39/67/589493967.db2.gz AIJWLUKCHVZTFE-MMVSWEMESA-N 1 0 249.320 3.681 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)C(C)(C)C(F)F ZINC000866450920 589494013 /nfs/dbraw/zinc/49/40/13/589494013.db2.gz AJGBCEMDRYGENR-KXUCPTDWSA-N 1 0 237.309 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)C(C)(C)C(F)F ZINC000866450921 589493949 /nfs/dbraw/zinc/49/39/49/589493949.db2.gz AJGBCEMDRYGENR-LPEHRKFASA-N 1 0 237.309 3.537 20 0 BHADRO CC(C)[C@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866451177 589493670 /nfs/dbraw/zinc/49/36/70/589493670.db2.gz FYPMKKBQUDGMMO-HSBZDZAISA-N 1 0 241.419 3.747 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866451178 589493460 /nfs/dbraw/zinc/49/34/60/589493460.db2.gz FYPMKKBQUDGMMO-IYXRBSQSSA-N 1 0 241.419 3.747 20 0 BHADRO CCC[C@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866451179 589493291 /nfs/dbraw/zinc/49/32/91/589493291.db2.gz FZHUTDDKHMMMAY-HSBZDZAISA-N 1 0 241.419 3.891 20 0 BHADRO CCC[C@@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866451180 589493382 /nfs/dbraw/zinc/49/33/82/589493382.db2.gz FZHUTDDKHMMMAY-IYXRBSQSSA-N 1 0 241.419 3.891 20 0 BHADRO CCC(CC)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866451669 589494189 /nfs/dbraw/zinc/49/41/89/589494189.db2.gz OHDDWRTZLXSMMD-UHFFFAOYSA-N 1 0 241.419 3.891 20 0 BHADRO CC[C@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866452053 589494354 /nfs/dbraw/zinc/49/43/54/589494354.db2.gz UOAHXDFKIBEUBZ-HIFPTAJRSA-N 1 0 227.392 3.501 20 0 BHADRO CC[C@@H](C)[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000866452054 589494334 /nfs/dbraw/zinc/49/43/34/589494334.db2.gz UOAHXDFKIBEUBZ-PNESKVBLSA-N 1 0 227.392 3.501 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)s1 ZINC000866454918 589494405 /nfs/dbraw/zinc/49/44/05/589494405.db2.gz ICCUWJYOPLWOOI-DLOVCJGASA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)s1 ZINC000866454920 589494310 /nfs/dbraw/zinc/49/43/10/589494310.db2.gz ICCUWJYOPLWOOI-MVWJERBFSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)s1 ZINC000866454922 589494454 /nfs/dbraw/zinc/49/44/54/589494454.db2.gz ICCUWJYOPLWOOI-WCQGTBRESA-N 1 0 238.400 3.537 20 0 BHADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)s1 ZINC000866454923 589494265 /nfs/dbraw/zinc/49/42/65/589494265.db2.gz ICCUWJYOPLWOOI-ZMLRMANQSA-N 1 0 238.400 3.537 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)no1 ZINC000866456530 589494649 /nfs/dbraw/zinc/49/46/49/589494649.db2.gz WYJBHXKSCOINDL-JLNYLFASSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)no1 ZINC000866456532 589494675 /nfs/dbraw/zinc/49/46/75/589494675.db2.gz WYJBHXKSCOINDL-SFDCQRBFSA-N 1 0 248.370 3.602 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)no1 ZINC000866475730 589495299 /nfs/dbraw/zinc/49/52/99/589495299.db2.gz FNGQYOFGSFYDOU-GFCCVEGCSA-N 1 0 248.370 3.604 20 0 BHADRO Cc1cc([C@H](C)[NH2+]CC2CCC3(CC3)CC2)no1 ZINC000866475731 589495493 /nfs/dbraw/zinc/49/54/93/589495493.db2.gz FNGQYOFGSFYDOU-LBPRGKRZSA-N 1 0 248.370 3.604 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)o1 ZINC000866479138 589495571 /nfs/dbraw/zinc/49/55/71/589495571.db2.gz QPSHXWPNEMKGEV-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2C)o1 ZINC000866479140 589495600 /nfs/dbraw/zinc/49/56/00/589495600.db2.gz QPSHXWPNEMKGEV-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1cccs1 ZINC000866486173 589496389 /nfs/dbraw/zinc/49/63/89/589496389.db2.gz AKOUBAJPDUINFX-DCAQKATOSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)c1cccs1 ZINC000866486174 589496459 /nfs/dbraw/zinc/49/64/59/589496459.db2.gz AKOUBAJPDUINFX-GMTAPVOTSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)CC1CCC1 ZINC000866486406 589496539 /nfs/dbraw/zinc/49/65/39/589496539.db2.gz GUGMHEWPLQUBNJ-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)CC1CCC1 ZINC000866486407 589496206 /nfs/dbraw/zinc/49/62/06/589496206.db2.gz GUGMHEWPLQUBNJ-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866486408 589496282 /nfs/dbraw/zinc/49/62/82/589496282.db2.gz GUGMHEWPLQUBNJ-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+][C@H](C)CC1CCC1 ZINC000866486409 589496634 /nfs/dbraw/zinc/49/66/34/589496634.db2.gz GUGMHEWPLQUBNJ-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000866486883 589496500 /nfs/dbraw/zinc/49/65/00/589496500.db2.gz RBZVAQATYJHRJY-DCAQKATOSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000866486884 589496428 /nfs/dbraw/zinc/49/64/28/589496428.db2.gz RBZVAQATYJHRJY-GMTAPVOTSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000866487282 589496231 /nfs/dbraw/zinc/49/62/31/589496231.db2.gz WVIWYQWPTPWBNY-DCAQKATOSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000866487284 589496216 /nfs/dbraw/zinc/49/62/16/589496216.db2.gz WVIWYQWPTPWBNY-GMTAPVOTSA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000866487699 589497026 /nfs/dbraw/zinc/49/70/26/589497026.db2.gz FPKSJCZWWBKEJP-DLOVCJGASA-N 1 0 241.425 3.601 20 0 BHADRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000866487700 589496997 /nfs/dbraw/zinc/49/69/97/589496997.db2.gz FPKSJCZWWBKEJP-YUSALJHKSA-N 1 0 241.425 3.601 20 0 BHADRO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccsc1 ZINC000866488100 589496887 /nfs/dbraw/zinc/49/68/87/589496887.db2.gz KCWZQQAGEFQXMQ-IJLUTSLNSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccsc1 ZINC000866488101 589496910 /nfs/dbraw/zinc/49/69/10/589496910.db2.gz KCWZQQAGEFQXMQ-SRVKXCTJSA-N 1 0 241.425 3.683 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@H]1C)C(F)(F)F ZINC000866505727 589497909 /nfs/dbraw/zinc/49/79/09/589497909.db2.gz TVWUBLGBNZEJHU-NXEZZACHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@@H]1C)C(F)(F)F ZINC000866505728 589497863 /nfs/dbraw/zinc/49/78/63/589497863.db2.gz TVWUBLGBNZEJHU-UWVGGRQHSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H]1C)C(F)(F)F ZINC000866505729 589498086 /nfs/dbraw/zinc/49/80/86/589498086.db2.gz TVWUBLGBNZEJHU-VHSXEESVSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)(C[NH2+][C@H]1CC[C@H]1C)C(F)(F)F ZINC000866505730 589498255 /nfs/dbraw/zinc/49/82/55/589498255.db2.gz TVWUBLGBNZEJHU-ZJUUUORDSA-N 1 0 237.309 3.743 20 0 BHADRO CCC(CC)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866532849 589499278 /nfs/dbraw/zinc/49/92/78/589499278.db2.gz BZYAQNKKKCCHQE-CMPLNLGQSA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866532933 589499466 /nfs/dbraw/zinc/49/94/66/589499466.db2.gz DHCDLHNIGBSTRP-GRYCIOLGSA-N 1 0 249.320 3.765 20 0 BHADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866532934 589499314 /nfs/dbraw/zinc/49/93/14/589499314.db2.gz DHCDLHNIGBSTRP-SDDRHHMPSA-N 1 0 249.320 3.765 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866533257 589499397 /nfs/dbraw/zinc/49/93/97/589499397.db2.gz HBYIQOGONPOYGS-KXNHARMFSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866533258 589499511 /nfs/dbraw/zinc/49/95/11/589499511.db2.gz HBYIQOGONPOYGS-NNYUYHANSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866533259 589499444 /nfs/dbraw/zinc/49/94/44/589499444.db2.gz HBYIQOGONPOYGS-WRWGMCAJSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866533260 589499288 /nfs/dbraw/zinc/49/92/88/589499288.db2.gz HBYIQOGONPOYGS-YFKTTZPYSA-N 1 0 247.304 3.519 20 0 BHADRO CC[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866535544 589499367 /nfs/dbraw/zinc/49/93/67/589499367.db2.gz VMYDFRSCCHCVAS-GARJFASQSA-N 1 0 235.293 3.519 20 0 BHADRO CC[C@@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866535545 589499448 /nfs/dbraw/zinc/49/94/48/589499448.db2.gz VMYDFRSCCHCVAS-OUAUKWLOSA-N 1 0 235.293 3.519 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866535756 589499434 /nfs/dbraw/zinc/49/94/34/589499434.db2.gz YDMFLXJKUQAUII-GRYCIOLGSA-N 1 0 249.320 3.909 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866535757 589499464 /nfs/dbraw/zinc/49/94/64/589499464.db2.gz YDMFLXJKUQAUII-SDDRHHMPSA-N 1 0 249.320 3.909 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCCCC1CC1 ZINC000866540408 589499745 /nfs/dbraw/zinc/49/97/45/589499745.db2.gz OBTBQFUSIBEXQI-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCCCC1CC1 ZINC000866540409 589499552 /nfs/dbraw/zinc/49/95/52/589499552.db2.gz OBTBQFUSIBEXQI-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@H]([NH2+]CCCCC1CC1)C(C)(C)C(F)F ZINC000866541221 589498636 /nfs/dbraw/zinc/49/86/36/589498636.db2.gz IVCSXZWIPOLLEE-JTQLQIEISA-N 1 0 233.346 3.836 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CC1)C(C)(C)C(F)F ZINC000866541222 589498710 /nfs/dbraw/zinc/49/87/10/589498710.db2.gz IVCSXZWIPOLLEE-SNVBAGLBSA-N 1 0 233.346 3.836 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CCCCC2CC2)cn1 ZINC000866541275 589499560 /nfs/dbraw/zinc/49/95/60/589499560.db2.gz XKINEPBKFBBBCG-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CCCCC2CC2)cn1 ZINC000866541276 589499721 /nfs/dbraw/zinc/49/97/21/589499721.db2.gz XKINEPBKFBBBCG-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CCCCC2CC2)s1 ZINC000866541378 589499781 /nfs/dbraw/zinc/49/97/81/589499781.db2.gz ZWTSTKVIIUBZTR-JTQLQIEISA-N 1 0 238.400 3.682 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CCCCC2CC2)s1 ZINC000866541379 589499610 /nfs/dbraw/zinc/49/96/10/589499610.db2.gz ZWTSTKVIIUBZTR-SNVBAGLBSA-N 1 0 238.400 3.682 20 0 BHADRO C[C@@H](CCc1cccnc1)[NH2+]CCCCC1CC1 ZINC000866541541 589500168 /nfs/dbraw/zinc/50/01/68/589500168.db2.gz OBNHAWZLCYENLO-AWEZNQCLSA-N 1 0 246.398 3.573 20 0 BHADRO C[C@H](CCc1cccnc1)[NH2+]CCCCC1CC1 ZINC000866541542 589500077 /nfs/dbraw/zinc/50/00/77/589500077.db2.gz OBNHAWZLCYENLO-CQSZACIVSA-N 1 0 246.398 3.573 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCCCC2CC2)c1 ZINC000866541568 589500099 /nfs/dbraw/zinc/50/00/99/589500099.db2.gz OREGWUZPHWCREW-CYBMUJFWSA-N 1 0 232.371 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCCCC2CC2)c1 ZINC000866541569 589500248 /nfs/dbraw/zinc/50/02/48/589500248.db2.gz OREGWUZPHWCREW-ZDUSSCGKSA-N 1 0 232.371 3.621 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCCCC1CC1 ZINC000866541672 589499855 /nfs/dbraw/zinc/49/98/55/589499855.db2.gz QUNKHAZXHYIOPK-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCCCC1CC1 ZINC000866541673 589500143 /nfs/dbraw/zinc/50/01/43/589500143.db2.gz QUNKHAZXHYIOPK-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H]([NH2+]CCCCC1CC1)c1ccncc1 ZINC000866542028 589500014 /nfs/dbraw/zinc/50/00/14/589500014.db2.gz WAPYRUIUUAHQIJ-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CC[C@@H]([NH2+]CCCCC1CC1)c1ccncc1 ZINC000866542030 589499908 /nfs/dbraw/zinc/49/99/08/589499908.db2.gz WAPYRUIUUAHQIJ-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@@H]2C[C@@]21C ZINC000866544170 589499861 /nfs/dbraw/zinc/49/98/61/589499861.db2.gz JCQUWJBBUPRAGY-MDZLAQPJSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000866544171 589500135 /nfs/dbraw/zinc/50/01/35/589500135.db2.gz JCQUWJBBUPRAGY-WZRBSPASSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000866544172 589500208 /nfs/dbraw/zinc/50/02/08/589500208.db2.gz JCTDQOFHIRLTGK-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000866544173 589500215 /nfs/dbraw/zinc/50/02/15/589500215.db2.gz JCTDQOFHIRLTGK-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000866544174 589500156 /nfs/dbraw/zinc/50/01/56/589500156.db2.gz JCTDQOFHIRLTGK-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000866544175 589500272 /nfs/dbraw/zinc/50/02/72/589500272.db2.gz JCTDQOFHIRLTGK-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000866544444 589500148 /nfs/dbraw/zinc/50/01/48/589500148.db2.gz RBEZGSGSDXBUPT-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000866544445 589500211 /nfs/dbraw/zinc/50/02/11/589500211.db2.gz RBEZGSGSDXBUPT-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000866546382 589499895 /nfs/dbraw/zinc/49/98/95/589499895.db2.gz OCNSCLNFGNEVJR-GHMZBOCLSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000866546385 589500266 /nfs/dbraw/zinc/50/02/66/589500266.db2.gz OCNSCLNFGNEVJR-MNOVXSKESA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000866546386 589500264 /nfs/dbraw/zinc/50/02/64/589500264.db2.gz OCNSCLNFGNEVJR-QWRGUYRKSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(F)F ZINC000866546388 589500130 /nfs/dbraw/zinc/50/01/30/589500130.db2.gz OCNSCLNFGNEVJR-WDEREUQCSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606574 589504294 /nfs/dbraw/zinc/50/42/94/589504294.db2.gz BQGGZFIWKKTVPM-GMTAPVOTSA-N 1 0 235.293 3.518 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606575 589504205 /nfs/dbraw/zinc/50/42/05/589504205.db2.gz BQGGZFIWKKTVPM-HBNTYKKESA-N 1 0 235.293 3.518 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606778 589504236 /nfs/dbraw/zinc/50/42/36/589504236.db2.gz HKRGUJMXUTVWEM-GMTAPVOTSA-N 1 0 235.293 3.662 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606779 589504311 /nfs/dbraw/zinc/50/43/11/589504311.db2.gz HKRGUJMXUTVWEM-HBNTYKKESA-N 1 0 235.293 3.662 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000866606842 589504232 /nfs/dbraw/zinc/50/42/32/589504232.db2.gz IXUIVUFAAHZDTE-DDHJBXDOSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000866606843 589504349 /nfs/dbraw/zinc/50/43/49/589504349.db2.gz IXUIVUFAAHZDTE-IRCOFANPSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000866606844 589504324 /nfs/dbraw/zinc/50/43/24/589504324.db2.gz IXUIVUFAAHZDTE-NNYUYHANSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000866606845 589504214 /nfs/dbraw/zinc/50/42/14/589504214.db2.gz IXUIVUFAAHZDTE-WRWGMCAJSA-N 1 0 247.304 3.662 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]C1CCCCC1 ZINC000866606876 589504313 /nfs/dbraw/zinc/50/43/13/589504313.db2.gz JQBUZKBJYCJJTO-VXGBXAGGSA-N 1 0 247.304 3.806 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606959 589504247 /nfs/dbraw/zinc/50/42/47/589504247.db2.gz LPASNSTWZFCGPL-MVWJERBFSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866606960 589504238 /nfs/dbraw/zinc/50/42/38/589504238.db2.gz LPASNSTWZFCGPL-YUSALJHKSA-N 1 0 247.304 3.662 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607262 589504226 /nfs/dbraw/zinc/50/42/26/589504226.db2.gz PFTVAKLOPFGPOV-IJLUTSLNSA-N 1 0 249.320 3.908 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607263 589504309 /nfs/dbraw/zinc/50/43/09/589504309.db2.gz PFTVAKLOPFGPOV-QJPTWQEYSA-N 1 0 249.320 3.908 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607421 589504256 /nfs/dbraw/zinc/50/42/56/589504256.db2.gz QBHKLYIEHLUGNJ-DDHJBXDOSA-N 1 0 249.320 3.908 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607422 589504299 /nfs/dbraw/zinc/50/42/99/589504299.db2.gz QBHKLYIEHLUGNJ-IRCOFANPSA-N 1 0 249.320 3.908 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607423 589504348 /nfs/dbraw/zinc/50/43/48/589504348.db2.gz QBHKLYIEHLUGNJ-NNYUYHANSA-N 1 0 249.320 3.908 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607424 589504260 /nfs/dbraw/zinc/50/42/60/589504260.db2.gz QBHKLYIEHLUGNJ-WRWGMCAJSA-N 1 0 249.320 3.908 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866608302 589504288 /nfs/dbraw/zinc/50/42/88/589504288.db2.gz YOPPPZSMCDJRMJ-DDHJBXDOSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866608303 589504321 /nfs/dbraw/zinc/50/43/21/589504321.db2.gz YOPPPZSMCDJRMJ-IRCOFANPSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866608305 589504261 /nfs/dbraw/zinc/50/42/61/589504261.db2.gz YOPPPZSMCDJRMJ-WHOHXGKFSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866608307 589504296 /nfs/dbraw/zinc/50/42/96/589504296.db2.gz YOPPPZSMCDJRMJ-WISYIIOYSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000866608312 589504240 /nfs/dbraw/zinc/50/42/40/589504240.db2.gz KVABCAHMYLFOLF-BBRMVZONSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000866608314 589504328 /nfs/dbraw/zinc/50/43/28/589504328.db2.gz KVABCAHMYLFOLF-CJNGLKHVSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000866608316 589504239 /nfs/dbraw/zinc/50/42/39/589504239.db2.gz KVABCAHMYLFOLF-CZUORRHYSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H](C)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000866608318 589504354 /nfs/dbraw/zinc/50/43/54/589504354.db2.gz KVABCAHMYLFOLF-XJKSGUPXSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000866608338 589504497 /nfs/dbraw/zinc/50/44/97/589504497.db2.gz ZFEUQAOGNMHLDA-GRYCIOLGSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000866608339 589504289 /nfs/dbraw/zinc/50/42/89/589504289.db2.gz ZFEUQAOGNMHLDA-IJLUTSLNSA-N 1 0 247.304 3.662 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000866608935 589504487 /nfs/dbraw/zinc/50/44/87/589504487.db2.gz IYYGSPBNFMMQMA-GHMZBOCLSA-N 1 0 247.304 3.662 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609712 589504500 /nfs/dbraw/zinc/50/45/00/589504500.db2.gz NCITZCFHWCGSNL-GMTAPVOTSA-N 1 0 247.304 3.662 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609713 589504490 /nfs/dbraw/zinc/50/44/90/589504490.db2.gz NCITZCFHWCGSNL-MXWKQRLJSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610484 589504456 /nfs/dbraw/zinc/50/44/56/589504456.db2.gz UIUNKMQIUSLECF-DDHJBXDOSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610486 589504494 /nfs/dbraw/zinc/50/44/94/589504494.db2.gz UIUNKMQIUSLECF-IRCOFANPSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610488 589504468 /nfs/dbraw/zinc/50/44/68/589504468.db2.gz UIUNKMQIUSLECF-WHOHXGKFSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610489 589504465 /nfs/dbraw/zinc/50/44/65/589504465.db2.gz UIUNKMQIUSLECF-WISYIIOYSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866619090 589505545 /nfs/dbraw/zinc/50/55/45/589505545.db2.gz CWJHMVLSVQKNJS-DMDPSCGWSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866619091 589505561 /nfs/dbraw/zinc/50/55/61/589505561.db2.gz CWJHMVLSVQKNJS-LOWVWBTDSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866619092 589505452 /nfs/dbraw/zinc/50/54/52/589505452.db2.gz CWJHMVLSVQKNJS-NQBHXWOUSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866619093 589505521 /nfs/dbraw/zinc/50/55/21/589505521.db2.gz CWJHMVLSVQKNJS-WZRBSPASSA-N 1 0 244.338 3.667 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCC(C)C ZINC000872016167 589855861 /nfs/dbraw/zinc/85/58/61/589855861.db2.gz GNHKZKKVQHYHDL-JTQLQIEISA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCC(C)C ZINC000872016169 589856173 /nfs/dbraw/zinc/85/61/73/589856173.db2.gz GNHKZKKVQHYHDL-SNVBAGLBSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000872016336 589856305 /nfs/dbraw/zinc/85/63/05/589856305.db2.gz IPHBYOVNYVUHEX-GFCCVEGCSA-N 1 0 245.288 3.897 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1 ZINC000872016337 589856401 /nfs/dbraw/zinc/85/64/01/589856401.db2.gz IPHBYOVNYVUHEX-LBPRGKRZSA-N 1 0 245.288 3.897 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cccc(O)c1F ZINC000872016485 589855985 /nfs/dbraw/zinc/85/59/85/589855985.db2.gz JYVLHTVIZBYNRL-JTQLQIEISA-N 1 0 237.318 3.515 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cccc(O)c1F ZINC000872016486 589856246 /nfs/dbraw/zinc/85/62/46/589856246.db2.gz JYVLHTVIZBYNRL-SNVBAGLBSA-N 1 0 237.318 3.515 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C1CCCC1 ZINC000872016762 589856422 /nfs/dbraw/zinc/85/64/22/589856422.db2.gz PIXJBDUDQHIEIY-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCCC1 ZINC000872016763 589855872 /nfs/dbraw/zinc/85/58/72/589855872.db2.gz PIXJBDUDQHIEIY-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872016946 589856364 /nfs/dbraw/zinc/85/63/64/589856364.db2.gz RFMLAJJCCFBIGV-NXEZZACHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872016947 589856267 /nfs/dbraw/zinc/85/62/67/589856267.db2.gz RFMLAJJCCFBIGV-UWVGGRQHSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872016948 589856083 /nfs/dbraw/zinc/85/60/83/589856083.db2.gz RFMLAJJCCFBIGV-VHSXEESVSA-N 1 0 225.298 3.886 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872016949 589856238 /nfs/dbraw/zinc/85/62/38/589856238.db2.gz RFMLAJJCCFBIGV-ZJUUUORDSA-N 1 0 225.298 3.886 20 0 BHADRO CCC(CC)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872017123 589856233 /nfs/dbraw/zinc/85/62/33/589856233.db2.gz UIXRDWVCVFLWHS-JTQLQIEISA-N 1 0 225.298 3.886 20 0 BHADRO CCC(CC)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872017124 589856421 /nfs/dbraw/zinc/85/64/21/589856421.db2.gz UIXRDWVCVFLWHS-SNVBAGLBSA-N 1 0 225.298 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCc1ccco1 ZINC000872017668 589856969 /nfs/dbraw/zinc/85/69/69/589856969.db2.gz DHQKJLDWUJCRKK-JTQLQIEISA-N 1 0 249.276 3.533 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCc1ccco1 ZINC000872017674 589857055 /nfs/dbraw/zinc/85/70/55/589857055.db2.gz DHQKJLDWUJCRKK-SNVBAGLBSA-N 1 0 249.276 3.533 20 0 BHADRO CCOCCCC[NH2+][C@H](CC)C(C)(C)CC ZINC000872025246 589856789 /nfs/dbraw/zinc/85/67/89/589856789.db2.gz JEEMDPUBKIVCAW-CYBMUJFWSA-N 1 0 229.408 3.608 20 0 BHADRO CCOCCCC[NH2+][C@@H](CC)C(C)(C)CC ZINC000872025247 589856909 /nfs/dbraw/zinc/85/69/09/589856909.db2.gz JEEMDPUBKIVCAW-ZDUSSCGKSA-N 1 0 229.408 3.608 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccoc1C ZINC000872026666 589857398 /nfs/dbraw/zinc/85/73/98/589857398.db2.gz DPIDEVDLYSQEIG-LLVKDONJSA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccoc1C ZINC000872026667 589857625 /nfs/dbraw/zinc/85/76/25/589857625.db2.gz DPIDEVDLYSQEIG-NSHDSACASA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@@H]([NH2+]Cc1c(C)noc1C)C(C)(C)CC ZINC000872028680 589857568 /nfs/dbraw/zinc/85/75/68/589857568.db2.gz RXSZNTYCYZNPLV-CYBMUJFWSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@H]([NH2+]Cc1c(C)noc1C)C(C)(C)CC ZINC000872028681 589857899 /nfs/dbraw/zinc/85/78/99/589857899.db2.gz RXSZNTYCYZNPLV-ZDUSSCGKSA-N 1 0 238.375 3.596 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C(C1CC1)C1CC1 ZINC000872028727 589857882 /nfs/dbraw/zinc/85/78/82/589857882.db2.gz RATFMZDVLRVHCG-LLVKDONJSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C(C1CC1)C1CC1 ZINC000872028731 589857619 /nfs/dbraw/zinc/85/76/19/589857619.db2.gz RATFMZDVLRVHCG-NSHDSACASA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)C1CC1 ZINC000872028750 589857314 /nfs/dbraw/zinc/85/73/14/589857314.db2.gz RFZUBSSEFBIKEB-GXSJLCMTSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)C1CC1 ZINC000872028751 589857515 /nfs/dbraw/zinc/85/75/15/589857515.db2.gz RFZUBSSEFBIKEB-KOLCDFICSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)C1CC1 ZINC000872028752 589857738 /nfs/dbraw/zinc/85/77/38/589857738.db2.gz RFZUBSSEFBIKEB-MWLCHTKSSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)C1CC1 ZINC000872028753 589857845 /nfs/dbraw/zinc/85/78/45/589857845.db2.gz RFZUBSSEFBIKEB-ONGXEEELSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)CC ZINC000872041712 589859894 /nfs/dbraw/zinc/85/98/94/589859894.db2.gz KKLOJMUOSQUTFF-SECBINFHSA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H]([NH2+]CCC(F)(F)F)C(C)(C)CC ZINC000872041713 589860075 /nfs/dbraw/zinc/86/00/75/589860075.db2.gz KKLOJMUOSQUTFF-VIFPVBQESA-N 1 0 225.298 3.743 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)C(C)(C)CC ZINC000872043174 589859851 /nfs/dbraw/zinc/85/98/51/589859851.db2.gz GVFHDCIJIAGLIK-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)C(C)(C)CC ZINC000872043175 589859766 /nfs/dbraw/zinc/85/97/66/589859766.db2.gz GVFHDCIJIAGLIK-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)C(C)(C)CC ZINC000872043176 589860081 /nfs/dbraw/zinc/86/00/81/589860081.db2.gz GVFHDCIJIAGLIK-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)C(C)(C)CC ZINC000872043177 589860085 /nfs/dbraw/zinc/86/00/85/589860085.db2.gz GVFHDCIJIAGLIK-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)CC ZINC000872044435 589859857 /nfs/dbraw/zinc/85/98/57/589859857.db2.gz USXVGLDEBCVXGD-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)CC ZINC000872044470 589859936 /nfs/dbraw/zinc/85/99/36/589859936.db2.gz USXVGLDEBCVXGD-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCCC1CC1 ZINC000872045409 589860060 /nfs/dbraw/zinc/86/00/60/589860060.db2.gz LNFKLPTZPPZNLB-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCCC1CC1 ZINC000872045410 589860180 /nfs/dbraw/zinc/86/01/80/589860180.db2.gz LNFKLPTZPPZNLB-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC=CCC1 ZINC000872046101 589860745 /nfs/dbraw/zinc/86/07/45/589860745.db2.gz VCCRWBPFENEHEO-GHMZBOCLSA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC=CCC1 ZINC000872046123 589860444 /nfs/dbraw/zinc/86/04/44/589860444.db2.gz VCCRWBPFENEHEO-MNOVXSKESA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC=CCC1 ZINC000872046124 589860364 /nfs/dbraw/zinc/86/03/64/589860364.db2.gz VCCRWBPFENEHEO-QWRGUYRKSA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC=CCC1 ZINC000872046125 589860674 /nfs/dbraw/zinc/86/06/74/589860674.db2.gz VCCRWBPFENEHEO-WDEREUQCSA-N 1 0 235.293 3.806 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1C ZINC000872046217 589860765 /nfs/dbraw/zinc/86/07/65/589860765.db2.gz FWGZSZRHKYYKNW-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1C ZINC000872046219 589860686 /nfs/dbraw/zinc/86/06/86/589860686.db2.gz FWGZSZRHKYYKNW-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1C ZINC000872046220 589860768 /nfs/dbraw/zinc/86/07/68/589860768.db2.gz FWGZSZRHKYYKNW-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1C ZINC000872046222 589860722 /nfs/dbraw/zinc/86/07/22/589860722.db2.gz FWGZSZRHKYYKNW-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]([NH2+]C1CCSCC1)C(C)(C)CC ZINC000872047047 589860766 /nfs/dbraw/zinc/86/07/66/589860766.db2.gz OUBVDPJWCOFXLA-GFCCVEGCSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H]([NH2+]C1CCSCC1)C(C)(C)CC ZINC000872047049 589860778 /nfs/dbraw/zinc/86/07/78/589860778.db2.gz OUBVDPJWCOFXLA-LBPRGKRZSA-N 1 0 229.433 3.686 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872047169 589860750 /nfs/dbraw/zinc/86/07/50/589860750.db2.gz BYSDYJAUKPDQJC-AJNGGQMLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)[C@@H]1CCCOC1 ZINC000872047170 589860281 /nfs/dbraw/zinc/86/02/81/589860281.db2.gz BYSDYJAUKPDQJC-BYNSBNAKSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872047171 589860496 /nfs/dbraw/zinc/86/04/96/589860496.db2.gz BYSDYJAUKPDQJC-XQLPTFJDSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)[C@H]1CCCOC1 ZINC000872047172 589860841 /nfs/dbraw/zinc/86/08/41/589860841.db2.gz BYSDYJAUKPDQJC-ZQDZILKHSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(CC)CC1 ZINC000872047238 589860656 /nfs/dbraw/zinc/86/06/56/589860656.db2.gz DFBUHSCINLHVDS-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(CC)CC1 ZINC000872047239 589860701 /nfs/dbraw/zinc/86/07/01/589860701.db2.gz DFBUHSCINLHVDS-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCC1CCC1 ZINC000872047370 589860636 /nfs/dbraw/zinc/86/06/36/589860636.db2.gz ATAOVEIZJVCOBM-LLVKDONJSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCC1CCC1 ZINC000872047371 589860781 /nfs/dbraw/zinc/86/07/81/589860781.db2.gz ATAOVEIZJVCOBM-NSHDSACASA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000872047895 589860694 /nfs/dbraw/zinc/86/06/94/589860694.db2.gz GQDDGNWNHPPCFF-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(C)CCC1 ZINC000872047896 589860541 /nfs/dbraw/zinc/86/05/41/589860541.db2.gz GQDDGNWNHPPCFF-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000872048063 589860406 /nfs/dbraw/zinc/86/04/06/589860406.db2.gz XBSKVQFUAQXQBE-CWRNSKLLSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872048064 589860833 /nfs/dbraw/zinc/86/08/33/589860833.db2.gz XBSKVQFUAQXQBE-FVQBIDKESA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872048065 589860697 /nfs/dbraw/zinc/86/06/97/589860697.db2.gz XBSKVQFUAQXQBE-NUEKZKHPSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000872048066 589860774 /nfs/dbraw/zinc/86/07/74/589860774.db2.gz XBSKVQFUAQXQBE-VNQPRFMTSA-N 1 0 247.382 3.542 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)CC ZINC000872048740 589860693 /nfs/dbraw/zinc/86/06/93/589860693.db2.gz LFHJOONGQCTVFV-CHWSQXEVSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)CC ZINC000872048741 589860772 /nfs/dbraw/zinc/86/07/72/589860772.db2.gz LFHJOONGQCTVFV-OLZOCXBDSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)CC ZINC000872048742 589860534 /nfs/dbraw/zinc/86/05/34/589860534.db2.gz LFHJOONGQCTVFV-QWHCGFSZSA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)CC ZINC000872048743 589860726 /nfs/dbraw/zinc/86/07/26/589860726.db2.gz LFHJOONGQCTVFV-STQMWFEESA-N 1 0 243.435 3.588 20 0 BHADRO CC[C@@H]([NH2+]CC1(C)CCOCC1)C(C)(C)CC ZINC000872049026 589860717 /nfs/dbraw/zinc/86/07/17/589860717.db2.gz OFZORQQGXYEFRB-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC1(C)CCOCC1)C(C)(C)CC ZINC000872049027 589860748 /nfs/dbraw/zinc/86/07/48/589860748.db2.gz OFZORQQGXYEFRB-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000872050560 589861049 /nfs/dbraw/zinc/86/10/49/589861049.db2.gz CDXIAPBXPXWRDQ-GXSJLCMTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)C1CCC1 ZINC000872050561 589861186 /nfs/dbraw/zinc/86/11/86/589861186.db2.gz CDXIAPBXPXWRDQ-KOLCDFICSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)C1CCC1 ZINC000872050562 589861387 /nfs/dbraw/zinc/86/13/87/589861387.db2.gz CDXIAPBXPXWRDQ-MWLCHTKSSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CCC1 ZINC000872050563 589861298 /nfs/dbraw/zinc/86/12/98/589861298.db2.gz CDXIAPBXPXWRDQ-ONGXEEELSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccc[nH]1 ZINC000872051577 583944667 /nfs/dbraw/zinc/94/46/67/583944667.db2.gz LMAQHEGNMJJSTC-NXEZZACHSA-N 1 0 248.292 3.786 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000872051578 583944625 /nfs/dbraw/zinc/94/46/25/583944625.db2.gz LMAQHEGNMJJSTC-UWVGGRQHSA-N 1 0 248.292 3.786 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000872051579 583944659 /nfs/dbraw/zinc/94/46/59/583944659.db2.gz LMAQHEGNMJJSTC-VHSXEESVSA-N 1 0 248.292 3.786 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccc[nH]1 ZINC000872051580 583944655 /nfs/dbraw/zinc/94/46/55/583944655.db2.gz LMAQHEGNMJJSTC-ZJUUUORDSA-N 1 0 248.292 3.786 20 0 BHADRO CC[C@@H]([NH2+]CC1(CCOC)CC1)C(C)(C)CC ZINC000872051645 589861237 /nfs/dbraw/zinc/86/12/37/589861237.db2.gz JSMUJFARTGKGSM-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC1(CCOC)CC1)C(C)(C)CC ZINC000872051646 589861190 /nfs/dbraw/zinc/86/11/90/589861190.db2.gz JSMUJFARTGKGSM-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]Cc1ncccc1F)C(C)(C)CC ZINC000872052242 589861540 /nfs/dbraw/zinc/86/15/40/589861540.db2.gz MOQPZZYOBLSQAL-CYBMUJFWSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H]([NH2+]Cc1ncccc1F)C(C)(C)CC ZINC000872052243 589861423 /nfs/dbraw/zinc/86/14/23/589861423.db2.gz MOQPZZYOBLSQAL-ZDUSSCGKSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C(C)(C)CC ZINC000872052406 589861076 /nfs/dbraw/zinc/86/10/76/589861076.db2.gz DHQFEKSEWFBRNI-BZPMIXESSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)CC ZINC000872052407 589861420 /nfs/dbraw/zinc/86/14/20/589861420.db2.gz DHQFEKSEWFBRNI-CRWXNKLISA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C(C)(C)CC ZINC000872052408 589861347 /nfs/dbraw/zinc/86/13/47/589861347.db2.gz DHQFEKSEWFBRNI-OBJOEFQTSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)CC ZINC000872052409 589861574 /nfs/dbraw/zinc/86/15/74/589861574.db2.gz DHQFEKSEWFBRNI-XJFOESAGSA-N 1 0 241.419 3.747 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)CC ZINC000872052991 589861107 /nfs/dbraw/zinc/86/11/07/589861107.db2.gz VGGNPMNXWVBYNS-CHWSQXEVSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)CC ZINC000872052992 589861588 /nfs/dbraw/zinc/86/15/88/589861588.db2.gz VGGNPMNXWVBYNS-OLZOCXBDSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)CC ZINC000872052997 589861372 /nfs/dbraw/zinc/86/13/72/589861372.db2.gz VGGNPMNXWVBYNS-QWHCGFSZSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)CC ZINC000872052998 589861494 /nfs/dbraw/zinc/86/14/94/589861494.db2.gz VGGNPMNXWVBYNS-STQMWFEESA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(C2CC2)CC1 ZINC000872053576 589861163 /nfs/dbraw/zinc/86/11/63/589861163.db2.gz VRFZICLJMXCALC-LLVKDONJSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(C2CC2)CC1 ZINC000872053578 589861202 /nfs/dbraw/zinc/86/12/02/589861202.db2.gz VRFZICLJMXCALC-NSHDSACASA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1(C2CC2)CC1 ZINC000872054906 589862022 /nfs/dbraw/zinc/86/20/22/589862022.db2.gz DJZHIDZZRIZJFR-JTQLQIEISA-N 1 0 235.293 3.640 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C1(C2CC2)CC1 ZINC000872054907 589862105 /nfs/dbraw/zinc/86/21/05/589862105.db2.gz DJZHIDZZRIZJFR-SNVBAGLBSA-N 1 0 235.293 3.640 20 0 BHADRO CCC1([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CCC1 ZINC000872056288 589862299 /nfs/dbraw/zinc/86/22/99/589862299.db2.gz QHYKYSQJIOPCKE-CHWSQXEVSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CCC1 ZINC000872056289 589861810 /nfs/dbraw/zinc/86/18/10/589861810.db2.gz QHYKYSQJIOPCKE-OLZOCXBDSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CCC1 ZINC000872056290 589862007 /nfs/dbraw/zinc/86/20/07/589862007.db2.gz QHYKYSQJIOPCKE-QWHCGFSZSA-N 1 0 239.403 3.502 20 0 BHADRO CCC1([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CCC1 ZINC000872056291 589862094 /nfs/dbraw/zinc/86/20/94/589862094.db2.gz QHYKYSQJIOPCKE-STQMWFEESA-N 1 0 239.403 3.502 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)C1(C)CC1 ZINC000872057020 589861805 /nfs/dbraw/zinc/86/18/05/589861805.db2.gz WGYVYLLGDFYFGI-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C1(C)CC1 ZINC000872057021 589861829 /nfs/dbraw/zinc/86/18/29/589861829.db2.gz WGYVYLLGDFYFGI-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C1(C)CC1 ZINC000872057022 589861754 /nfs/dbraw/zinc/86/17/54/589861754.db2.gz WGYVYLLGDFYFGI-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)C1(C)CC1 ZINC000872057023 589862180 /nfs/dbraw/zinc/86/21/80/589862180.db2.gz WGYVYLLGDFYFGI-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@H](C)C1 ZINC000872064188 589863021 /nfs/dbraw/zinc/86/30/21/589863021.db2.gz CXYHPGOMJFDQEZ-AXFHLTTASA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000872064189 589862481 /nfs/dbraw/zinc/86/24/81/589862481.db2.gz CXYHPGOMJFDQEZ-GMTAPVOTSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000872064190 589862868 /nfs/dbraw/zinc/86/28/68/589862868.db2.gz CXYHPGOMJFDQEZ-HBNTYKKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000872064191 589862960 /nfs/dbraw/zinc/86/29/60/589862960.db2.gz CXYHPGOMJFDQEZ-MXWKQRLJSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC=C(C)C ZINC000872065546 589863333 /nfs/dbraw/zinc/86/33/33/589863333.db2.gz DEPNOJCCEOFKBK-JTQLQIEISA-N 1 0 223.282 3.663 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC=C(C)C ZINC000872065547 589863372 /nfs/dbraw/zinc/86/33/72/589863372.db2.gz DEPNOJCCEOFKBK-SNVBAGLBSA-N 1 0 223.282 3.663 20 0 BHADRO CC[C@H]([NH2+]C1CC(F)(F)C1)C(C)(C)CC ZINC000872065656 589863551 /nfs/dbraw/zinc/86/35/51/589863551.db2.gz FWTFCEFZNPFXBO-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H]([NH2+]C1CC(F)(F)C1)C(C)(C)CC ZINC000872065657 589863643 /nfs/dbraw/zinc/86/36/43/589863643.db2.gz FWTFCEFZNPFXBO-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCC1(C)CC1 ZINC000872065777 589863168 /nfs/dbraw/zinc/86/31/68/589863168.db2.gz BNIAGVFNYGRGLV-JTQLQIEISA-N 1 0 237.309 3.887 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCC1(C)CC1 ZINC000872065779 589863359 /nfs/dbraw/zinc/86/33/59/589863359.db2.gz BNIAGVFNYGRGLV-SNVBAGLBSA-N 1 0 237.309 3.887 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872065881 589863695 /nfs/dbraw/zinc/86/36/95/589863695.db2.gz IBIRLEZFRDYCID-LLVKDONJSA-N 1 0 237.318 3.538 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872065882 589863530 /nfs/dbraw/zinc/86/35/30/589863530.db2.gz IBIRLEZFRDYCID-NSHDSACASA-N 1 0 237.318 3.538 20 0 BHADRO CC[C@H]([NH2+]C[C@H]1CCSC1)C(C)(C)CC ZINC000872065929 589863461 /nfs/dbraw/zinc/86/34/61/589863461.db2.gz CJAMKNQTGBIZDA-NEPJUHHUSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)CC ZINC000872065930 589863658 /nfs/dbraw/zinc/86/36/58/589863658.db2.gz CJAMKNQTGBIZDA-NWDGAFQWSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)CC ZINC000872065931 589863510 /nfs/dbraw/zinc/86/35/10/589863510.db2.gz CJAMKNQTGBIZDA-RYUDHWBXSA-N 1 0 229.433 3.544 20 0 BHADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)C(C)(C)CC ZINC000872065932 589863656 /nfs/dbraw/zinc/86/36/56/589863656.db2.gz CJAMKNQTGBIZDA-VXGBXAGGSA-N 1 0 229.433 3.544 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc(O)c1F ZINC000872067284 589863234 /nfs/dbraw/zinc/86/32/34/589863234.db2.gz XGHWHWJPAAPKNF-GWCFXTLKSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(O)c1F ZINC000872067311 589863315 /nfs/dbraw/zinc/86/33/15/589863315.db2.gz XGHWHWJPAAPKNF-GXFFZTMASA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(O)c1F ZINC000872067312 589863300 /nfs/dbraw/zinc/86/33/00/589863300.db2.gz XGHWHWJPAAPKNF-MFKMUULPSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(O)c1F ZINC000872067313 589863342 /nfs/dbraw/zinc/86/33/42/589863342.db2.gz XGHWHWJPAAPKNF-ZWNOBZJWSA-N 1 0 249.329 3.515 20 0 BHADRO CC1(C)C[C@@H]([NH2+]CCF)c2ccccc2S1 ZINC000872069458 589863844 /nfs/dbraw/zinc/86/38/44/589863844.db2.gz PRBBZVAASDCSEH-LLVKDONJSA-N 1 0 239.359 3.561 20 0 BHADRO CC1(C)C[C@H]([NH2+]CCF)c2ccccc2S1 ZINC000872069459 589863944 /nfs/dbraw/zinc/86/39/44/589863944.db2.gz PRBBZVAASDCSEH-NSHDSACASA-N 1 0 239.359 3.561 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000872071547 589864290 /nfs/dbraw/zinc/86/42/90/589864290.db2.gz REKKNVLWTAHSFP-NXEZZACHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000872071548 589864234 /nfs/dbraw/zinc/86/42/34/589864234.db2.gz REKKNVLWTAHSFP-UWVGGRQHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC1(C)C ZINC000872071549 589864136 /nfs/dbraw/zinc/86/41/36/589864136.db2.gz REKKNVLWTAHSFP-VHSXEESVSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC1(C)C ZINC000872071550 589864251 /nfs/dbraw/zinc/86/42/51/589864251.db2.gz REKKNVLWTAHSFP-ZJUUUORDSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1occc1C ZINC000872071951 589864412 /nfs/dbraw/zinc/86/44/12/589864412.db2.gz ARWVKMBVWBDQGE-JTQLQIEISA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1occc1C ZINC000872071952 589864357 /nfs/dbraw/zinc/86/43/57/589864357.db2.gz ARWVKMBVWBDQGE-SNVBAGLBSA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@H]([NH2+]CCC(C)(F)F)C(C)(C)CC ZINC000872072593 589864663 /nfs/dbraw/zinc/86/46/63/589864663.db2.gz ILNGCSDFLJMTLP-JTQLQIEISA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@@H]([NH2+]CCC(C)(F)F)C(C)(C)CC ZINC000872072596 589865152 /nfs/dbraw/zinc/86/51/52/589865152.db2.gz ILNGCSDFLJMTLP-SNVBAGLBSA-N 1 0 221.335 3.836 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1(C(C)C)CC1 ZINC000872073754 589864766 /nfs/dbraw/zinc/86/47/66/589864766.db2.gz RKZSUXNYAWATSZ-JTQLQIEISA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C1(C(C)C)CC1 ZINC000872073755 589864767 /nfs/dbraw/zinc/86/47/67/589864767.db2.gz RKZSUXNYAWATSZ-SNVBAGLBSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCC(C)(F)F ZINC000872074020 589865194 /nfs/dbraw/zinc/86/51/94/589865194.db2.gz UWRLJVCITDLPFQ-MRVPVSSYSA-N 1 0 247.251 3.742 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCC(C)(F)F ZINC000872074025 589865002 /nfs/dbraw/zinc/86/50/02/589865002.db2.gz UWRLJVCITDLPFQ-QMMMGPOBSA-N 1 0 247.251 3.742 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C1(CC)CC1 ZINC000872074588 589864944 /nfs/dbraw/zinc/86/49/44/589864944.db2.gz GIPNGFOOOVBOAK-SECBINFHSA-N 1 0 223.282 3.640 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1(CC)CC1 ZINC000872074590 589864716 /nfs/dbraw/zinc/86/47/16/589864716.db2.gz GIPNGFOOOVBOAK-VIFPVBQESA-N 1 0 223.282 3.640 20 0 BHADRO CC/C=C/C[NH2+][C@H](CC)CCC(F)(F)F ZINC000872075047 589864809 /nfs/dbraw/zinc/86/48/09/589864809.db2.gz NCVYSDSZZDLGAP-BRAIEQGRSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C\C[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872075048 589865125 /nfs/dbraw/zinc/86/51/25/589865125.db2.gz NCVYSDSZZDLGAP-OMMCCPJFSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C/C[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872075049 589864824 /nfs/dbraw/zinc/86/48/24/589864824.db2.gz NCVYSDSZZDLGAP-PORFMDCZSA-N 1 0 223.282 3.663 20 0 BHADRO CC/C=C\C[NH2+][C@H](CC)CCC(F)(F)F ZINC000872075050 589865134 /nfs/dbraw/zinc/86/51/34/589865134.db2.gz NCVYSDSZZDLGAP-WWQCOOJYSA-N 1 0 223.282 3.663 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)C(C)(C)CC ZINC000872075271 589864778 /nfs/dbraw/zinc/86/47/78/589864778.db2.gz BRDFPMGQZVRHLU-AGIUHOORSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)C(C)(C)CC ZINC000872075272 589865148 /nfs/dbraw/zinc/86/51/48/589865148.db2.gz BRDFPMGQZVRHLU-AVGNSLFASA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)CC ZINC000872075273 589864790 /nfs/dbraw/zinc/86/47/90/589864790.db2.gz BRDFPMGQZVRHLU-UPJWGTAASA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)C(C)(C)CC ZINC000872075274 589864924 /nfs/dbraw/zinc/86/49/24/589864924.db2.gz BRDFPMGQZVRHLU-XQQFMLRXSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1CC ZINC000872076896 589865315 /nfs/dbraw/zinc/86/53/15/589865315.db2.gz UYHVFFFURCSXGZ-OUAUKWLOSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1CC ZINC000872076897 589865823 /nfs/dbraw/zinc/86/58/23/589865823.db2.gz UYHVFFFURCSXGZ-VWYCJHECSA-N 1 0 237.309 3.743 20 0 BHADRO CCc1ncc(C[NH2+][C@H](CC)C(C)(C)CC)o1 ZINC000872076916 589865808 /nfs/dbraw/zinc/86/58/08/589865808.db2.gz VLILMDIANCLIKX-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1ncc(C[NH2+][C@@H](CC)C(C)(C)CC)o1 ZINC000872076917 589865615 /nfs/dbraw/zinc/86/56/15/589865615.db2.gz VLILMDIANCLIKX-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@H](CC)C(C)(C)CC)co1 ZINC000872077056 589865679 /nfs/dbraw/zinc/86/56/79/589865679.db2.gz XXAWHJROXNCAMJ-GFCCVEGCSA-N 1 0 238.375 3.541 20 0 BHADRO CCc1nc(C[NH2+][C@@H](CC)C(C)(C)CC)co1 ZINC000872077057 589865420 /nfs/dbraw/zinc/86/54/20/589865420.db2.gz XXAWHJROXNCAMJ-LBPRGKRZSA-N 1 0 238.375 3.541 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000872078049 589865671 /nfs/dbraw/zinc/86/56/71/589865671.db2.gz OKMLSUPUIKFGFI-SRVKXCTJSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000872078050 589865339 /nfs/dbraw/zinc/86/53/39/589865339.db2.gz OKMLSUPUIKFGFI-TUAOUCFPSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(C)(C)CC ZINC000872078314 589865562 /nfs/dbraw/zinc/86/55/62/589865562.db2.gz BQLAVJFPPFQZAT-BFHYXJOUSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(C)(C)CC ZINC000872078315 589865848 /nfs/dbraw/zinc/86/58/48/589865848.db2.gz BQLAVJFPPFQZAT-MCIONIFRSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(C)(C)CC ZINC000872078316 583945276 /nfs/dbraw/zinc/94/52/76/583945276.db2.gz BQLAVJFPPFQZAT-MGPQQGTHSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(C)(C)CC ZINC000872078317 583945333 /nfs/dbraw/zinc/94/53/33/583945333.db2.gz BQLAVJFPPFQZAT-MJBXVCDLSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000872078404 589865660 /nfs/dbraw/zinc/86/56/60/589865660.db2.gz HMNKASSYPWAQRV-NOOOWODRSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000872078406 589865640 /nfs/dbraw/zinc/86/56/40/589865640.db2.gz HMNKASSYPWAQRV-RHYQMDGZSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000872078408 589865567 /nfs/dbraw/zinc/86/55/67/589865567.db2.gz HMNKASSYPWAQRV-WISYIIOYSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000872078410 589865527 /nfs/dbraw/zinc/86/55/27/589865527.db2.gz HMNKASSYPWAQRV-WYUUTHIRSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]([NH2+]C1CCC(OC)CC1)C(C)(C)CC ZINC000872080919 589866026 /nfs/dbraw/zinc/86/60/26/589866026.db2.gz ZQYKDPCYPSFESZ-JXQTWKCFSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H]([NH2+]C1CCC(OC)CC1)C(C)(C)CC ZINC000872080920 589866335 /nfs/dbraw/zinc/86/63/35/589866335.db2.gz ZQYKDPCYPSFESZ-RUXDESIVSA-N 1 0 241.419 3.748 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000872081686 589866370 /nfs/dbraw/zinc/86/63/70/589866370.db2.gz JGVWFGWKIXILMR-GRYCIOLGSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000872081687 589866495 /nfs/dbraw/zinc/86/64/95/589866495.db2.gz JGVWFGWKIXILMR-SDDRHHMPSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000872082152 589866135 /nfs/dbraw/zinc/86/61/35/589866135.db2.gz QFPJRCQCLQKAPO-DDHJBXDOSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000872082154 589866489 /nfs/dbraw/zinc/86/64/89/589866489.db2.gz QFPJRCQCLQKAPO-NNYUYHANSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H]([NH2+]CCC1(COC)CC1)C(C)(C)CC ZINC000872082332 589866030 /nfs/dbraw/zinc/86/60/30/589866030.db2.gz VEPBBEYBZWOGTF-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CCC1(COC)CC1)C(C)(C)CC ZINC000872082333 589866270 /nfs/dbraw/zinc/86/62/70/589866270.db2.gz VEPBBEYBZWOGTF-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000872083162 589866477 /nfs/dbraw/zinc/86/64/77/589866477.db2.gz IHMZSHLWJASOSQ-AGIUHOORSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000872083163 589866470 /nfs/dbraw/zinc/86/64/70/589866470.db2.gz IHMZSHLWJASOSQ-FRRDWIJNSA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000872083164 589866281 /nfs/dbraw/zinc/86/62/81/589866281.db2.gz IHMZSHLWJASOSQ-JHJVBQTASA-N 1 0 241.419 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000872083165 589866033 /nfs/dbraw/zinc/86/60/33/589866033.db2.gz IHMZSHLWJASOSQ-UPJWGTAASA-N 1 0 241.419 3.604 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(O)c1F ZINC000872083272 589866028 /nfs/dbraw/zinc/86/60/28/589866028.db2.gz JYRKHWABONYJQU-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(O)c1F ZINC000872083273 589866020 /nfs/dbraw/zinc/86/60/20/589866020.db2.gz JYRKHWABONYJQU-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cc(O)ccc1F ZINC000872083388 589867146 /nfs/dbraw/zinc/86/71/46/589867146.db2.gz LQRUKRUMPYMGPL-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cc(O)ccc1F ZINC000872083389 589867151 /nfs/dbraw/zinc/86/71/51/589867151.db2.gz LQRUKRUMPYMGPL-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCc1ccoc1 ZINC000872083898 589867135 /nfs/dbraw/zinc/86/71/35/589867135.db2.gz CEYLABFMHDGZOL-LLVKDONJSA-N 1 0 249.276 3.533 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCc1ccoc1 ZINC000872084006 589866955 /nfs/dbraw/zinc/86/69/55/589866955.db2.gz CEYLABFMHDGZOL-NSHDSACASA-N 1 0 249.276 3.533 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(O)c1F ZINC000872084153 589867223 /nfs/dbraw/zinc/86/72/23/589867223.db2.gz PRSSGVHAABVMGU-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(O)c1F ZINC000872084154 589866989 /nfs/dbraw/zinc/86/69/89/589866989.db2.gz PRSSGVHAABVMGU-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cc(O)ccc1F ZINC000872084215 589866957 /nfs/dbraw/zinc/86/69/57/589866957.db2.gz QOYRZHDDSNXIML-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cc(O)ccc1F ZINC000872084218 589866941 /nfs/dbraw/zinc/86/69/41/589866941.db2.gz QOYRZHDDSNXIML-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO CC[C@@H]([NH2+]CCC1CC(OC)C1)C(C)(C)CC ZINC000872084985 589866950 /nfs/dbraw/zinc/86/69/50/589866950.db2.gz MIOPJMPJDMGXAM-JXQTWKCFSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+]CCC1CC(OC)C1)C(C)(C)CC ZINC000872084987 589866867 /nfs/dbraw/zinc/86/68/67/589866867.db2.gz MIOPJMPJDMGXAM-RUXDESIVSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CCC(C)(C)F ZINC000872085027 589866729 /nfs/dbraw/zinc/86/67/29/589866729.db2.gz KBMZPLACLCDDLA-SECBINFHSA-N 1 0 243.288 3.835 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CCC(C)(C)F ZINC000872085029 589867237 /nfs/dbraw/zinc/86/72/37/589867237.db2.gz KBMZPLACLCDDLA-VIFPVBQESA-N 1 0 243.288 3.835 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)[C@H]1CCCOC1 ZINC000872085571 589867120 /nfs/dbraw/zinc/86/71/20/589867120.db2.gz PGWMIMSCTLOZDS-IHRRRGAJSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)CC)[C@@H]1CCCOC1 ZINC000872085572 589867088 /nfs/dbraw/zinc/86/70/88/589867088.db2.gz PGWMIMSCTLOZDS-MCIONIFRSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)[C@@H]1CCCOC1 ZINC000872085573 589866985 /nfs/dbraw/zinc/86/69/85/589866985.db2.gz PGWMIMSCTLOZDS-MJBXVCDLSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)CC)[C@H]1CCCOC1 ZINC000872085574 589866435 /nfs/dbraw/zinc/86/64/35/589866435.db2.gz PGWMIMSCTLOZDS-RDBSUJKOSA-N 1 0 241.419 3.606 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](CC)C1CC1 ZINC000872085734 589867007 /nfs/dbraw/zinc/86/70/07/589867007.db2.gz POSMNSWWFUNOQH-GHMZBOCLSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](CC)C1CC1 ZINC000872085735 589866780 /nfs/dbraw/zinc/86/67/80/589866780.db2.gz POSMNSWWFUNOQH-MNOVXSKESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](CC)C1CC1 ZINC000872085736 589866954 /nfs/dbraw/zinc/86/69/54/589866954.db2.gz POSMNSWWFUNOQH-QWRGUYRKSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H]([NH2+][C@@H](CC)CCC(F)(F)F)C1CC1 ZINC000872085737 589866906 /nfs/dbraw/zinc/86/69/06/589866906.db2.gz POSMNSWWFUNOQH-WDEREUQCSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000872087314 589867934 /nfs/dbraw/zinc/86/79/34/589867934.db2.gz IISYTABFWUFVNV-LLVKDONJSA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1CC=CC1 ZINC000872087315 589867519 /nfs/dbraw/zinc/86/75/19/589867519.db2.gz IISYTABFWUFVNV-NSHDSACASA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1CC(C)C1 ZINC000872087632 589867489 /nfs/dbraw/zinc/86/74/89/589867489.db2.gz KCKYZDUTYWYTJK-ILDUYXDCSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1CC(C)C1 ZINC000872087633 589867978 /nfs/dbraw/zinc/86/79/78/589867978.db2.gz KCKYZDUTYWYTJK-VQXHTEKXSA-N 1 0 237.309 3.743 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000872088243 589867668 /nfs/dbraw/zinc/86/76/68/589867668.db2.gz MRJSVTRQFJFCPF-LLVKDONJSA-N 1 0 235.293 3.807 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1=CCCC1 ZINC000872088244 589867962 /nfs/dbraw/zinc/86/79/62/589867962.db2.gz MRJSVTRQFJFCPF-NSHDSACASA-N 1 0 235.293 3.807 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)C(C)(C)CC ZINC000872088866 589867924 /nfs/dbraw/zinc/86/79/24/589867924.db2.gz WEYQLPIDNQTQCH-KBPBESRZSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)C(C)(C)CC ZINC000872088867 589867839 /nfs/dbraw/zinc/86/78/39/589867839.db2.gz WEYQLPIDNQTQCH-KGLIPLIRSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)C(C)(C)CC ZINC000872088869 589867837 /nfs/dbraw/zinc/86/78/37/589867837.db2.gz WEYQLPIDNQTQCH-UONOGXRCSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)C(C)(C)CC ZINC000872088870 583945947 /nfs/dbraw/zinc/94/59/47/583945947.db2.gz WEYQLPIDNQTQCH-ZIAGYGMSSA-N 1 0 241.419 3.608 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000872089273 589867835 /nfs/dbraw/zinc/86/78/35/589867835.db2.gz WEKOWJJPZLRYPG-SECBINFHSA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CC(C)(C)C1 ZINC000872089274 589867567 /nfs/dbraw/zinc/86/75/67/589867567.db2.gz WEKOWJJPZLRYPG-VIFPVBQESA-N 1 0 237.309 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]CC(F)(F)CC ZINC000872090016 589868456 /nfs/dbraw/zinc/86/84/56/589868456.db2.gz JWEGJBXWYCZXEV-MRVPVSSYSA-N 1 0 247.251 3.742 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]CC(F)(F)CC ZINC000872090017 589868549 /nfs/dbraw/zinc/86/85/49/589868549.db2.gz JWEGJBXWYCZXEV-QMMMGPOBSA-N 1 0 247.251 3.742 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090930 589868658 /nfs/dbraw/zinc/86/86/58/589868658.db2.gz FYXJKKQRSGXEBT-HZMBPMFUSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090931 589868177 /nfs/dbraw/zinc/86/81/77/589868177.db2.gz FYXJKKQRSGXEBT-IINYFYTJSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090932 589868278 /nfs/dbraw/zinc/86/82/78/589868278.db2.gz FYXJKKQRSGXEBT-QMTHXVAHSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090933 589868484 /nfs/dbraw/zinc/86/84/84/589868484.db2.gz FYXJKKQRSGXEBT-YGRLFVJLSA-N 1 0 249.329 3.515 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C)o1 ZINC000872091811 589868277 /nfs/dbraw/zinc/86/82/77/589868277.db2.gz KDJMOJXVMDDOEB-JTQLQIEISA-N 1 0 249.276 3.799 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C)o1 ZINC000872091812 589868337 /nfs/dbraw/zinc/86/83/37/589868337.db2.gz KDJMOJXVMDDOEB-SNVBAGLBSA-N 1 0 249.276 3.799 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccc(O)c1F ZINC000872092388 589868708 /nfs/dbraw/zinc/86/87/08/589868708.db2.gz PCUQQBIJXWGXQC-GWCFXTLKSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(O)c1F ZINC000872092389 589868391 /nfs/dbraw/zinc/86/83/91/589868391.db2.gz PCUQQBIJXWGXQC-GXFFZTMASA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc(O)c1F ZINC000872092390 589868216 /nfs/dbraw/zinc/86/82/16/589868216.db2.gz PCUQQBIJXWGXQC-MFKMUULPSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(O)c1F ZINC000872092391 589868545 /nfs/dbraw/zinc/86/85/45/589868545.db2.gz PCUQQBIJXWGXQC-ZWNOBZJWSA-N 1 0 249.329 3.515 20 0 BHADRO CC[C@@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)CC ZINC000872092904 589868581 /nfs/dbraw/zinc/86/85/81/589868581.db2.gz RRVVDIHVKSQSQE-GFCCVEGCSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)CC ZINC000872092905 589868342 /nfs/dbraw/zinc/86/83/42/589868342.db2.gz RRVVDIHVKSQSQE-LBPRGKRZSA-N 1 0 238.350 3.525 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872093596 589868605 /nfs/dbraw/zinc/86/86/05/589868605.db2.gz CVDRIEAXHWVHEK-CHWSQXEVSA-N 1 0 249.402 3.511 20 0 BHADRO CC[C@@H](C)[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872093597 589868635 /nfs/dbraw/zinc/86/86/35/589868635.db2.gz CVDRIEAXHWVHEK-OLZOCXBDSA-N 1 0 249.402 3.511 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872093598 589868413 /nfs/dbraw/zinc/86/84/13/589868413.db2.gz CVDRIEAXHWVHEK-QWHCGFSZSA-N 1 0 249.402 3.511 20 0 BHADRO CC[C@H](C)[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872093599 589868315 /nfs/dbraw/zinc/86/83/15/589868315.db2.gz CVDRIEAXHWVHEK-STQMWFEESA-N 1 0 249.402 3.511 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)c1cscn1 ZINC000872105859 589872484 /nfs/dbraw/zinc/87/24/84/589872484.db2.gz CMSBFEKKAIDENE-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)c1cscn1 ZINC000872105860 589872674 /nfs/dbraw/zinc/87/26/74/589872674.db2.gz CMSBFEKKAIDENE-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)c1cscn1 ZINC000872105861 589872575 /nfs/dbraw/zinc/87/25/75/589872575.db2.gz CMSBFEKKAIDENE-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)c1cscn1 ZINC000872105862 589872840 /nfs/dbraw/zinc/87/28/40/589872840.db2.gz CMSBFEKKAIDENE-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)c1cncc(F)c1 ZINC000872106404 589872754 /nfs/dbraw/zinc/87/27/54/589872754.db2.gz GCMXIKGDZXVSQP-CHWSQXEVSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)c1cncc(F)c1 ZINC000872106405 589872834 /nfs/dbraw/zinc/87/28/34/589872834.db2.gz GCMXIKGDZXVSQP-OLZOCXBDSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)c1cncc(F)c1 ZINC000872106406 589872897 /nfs/dbraw/zinc/87/28/97/589872897.db2.gz GCMXIKGDZXVSQP-QWHCGFSZSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)c1cncc(F)c1 ZINC000872106407 589872780 /nfs/dbraw/zinc/87/27/80/589872780.db2.gz GCMXIKGDZXVSQP-STQMWFEESA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106572 589872767 /nfs/dbraw/zinc/87/27/67/589872767.db2.gz GWZHKFHLEBLDBK-CHWSQXEVSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106573 589872524 /nfs/dbraw/zinc/87/25/24/589872524.db2.gz GWZHKFHLEBLDBK-OLZOCXBDSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106574 589872730 /nfs/dbraw/zinc/87/27/30/589872730.db2.gz GWZHKFHLEBLDBK-QWHCGFSZSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106575 589872582 /nfs/dbraw/zinc/87/25/82/589872582.db2.gz GWZHKFHLEBLDBK-STQMWFEESA-N 1 0 248.345 3.618 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000872106643 589872837 /nfs/dbraw/zinc/87/28/37/589872837.db2.gz HVCJBSFOIHMKSC-CABCVRRESA-N 1 0 244.382 3.787 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000872106657 589872547 /nfs/dbraw/zinc/87/25/47/589872547.db2.gz HVCJBSFOIHMKSC-GJZGRUSLSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106659 589872838 /nfs/dbraw/zinc/87/28/38/589872838.db2.gz HVCJBSFOIHMKSC-HUUCEWRRSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106661 589872823 /nfs/dbraw/zinc/87/28/23/589872823.db2.gz HVCJBSFOIHMKSC-LSDHHAIUSA-N 1 0 244.382 3.787 20 0 BHADRO COCC(C)(C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000872106829 589872839 /nfs/dbraw/zinc/87/28/39/589872839.db2.gz VIUOCUMNWJOZBQ-AWEZNQCLSA-N 1 0 241.419 3.774 20 0 BHADRO COCC(C)(C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000872106832 589872445 /nfs/dbraw/zinc/87/24/45/589872445.db2.gz VIUOCUMNWJOZBQ-CQSZACIVSA-N 1 0 241.419 3.774 20 0 BHADRO C1=C[C@H](CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000872107365 589873325 /nfs/dbraw/zinc/87/33/25/589873325.db2.gz QBURPTQOQHRIGL-KBPBESRZSA-N 1 0 239.428 3.608 20 0 BHADRO C1=C[C@@H](CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000872107382 589872449 /nfs/dbraw/zinc/87/24/49/589872449.db2.gz QBURPTQOQHRIGL-KGLIPLIRSA-N 1 0 239.428 3.608 20 0 BHADRO C1=C[C@H](CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000872107384 589872804 /nfs/dbraw/zinc/87/28/04/589872804.db2.gz QBURPTQOQHRIGL-UONOGXRCSA-N 1 0 239.428 3.608 20 0 BHADRO C1=C[C@@H](CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000872107386 589873064 /nfs/dbraw/zinc/87/30/64/589873064.db2.gz QBURPTQOQHRIGL-ZIAGYGMSSA-N 1 0 239.428 3.608 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)c1nccs1 ZINC000872108456 589873677 /nfs/dbraw/zinc/87/36/77/589873677.db2.gz UVADDCQEXVAHQD-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)c1nccs1 ZINC000872108457 589873214 /nfs/dbraw/zinc/87/32/14/589873214.db2.gz UVADDCQEXVAHQD-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)c1nccs1 ZINC000872108458 589873479 /nfs/dbraw/zinc/87/34/79/589873479.db2.gz UVADDCQEXVAHQD-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)c1nccs1 ZINC000872108459 589873354 /nfs/dbraw/zinc/87/33/54/589873354.db2.gz UVADDCQEXVAHQD-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCC[C@H]2C=CCC2)c1 ZINC000872108908 589874071 /nfs/dbraw/zinc/87/40/71/589874071.db2.gz ZKZSPGLLXSRYPK-CABCVRRESA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCC[C@H]2C=CCC2)c1 ZINC000872108948 589874220 /nfs/dbraw/zinc/87/42/20/589874220.db2.gz ZKZSPGLLXSRYPK-GJZGRUSLSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC000872108950 589874509 /nfs/dbraw/zinc/87/45/09/589874509.db2.gz ZKZSPGLLXSRYPK-HUUCEWRRSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC000872108952 589874293 /nfs/dbraw/zinc/87/42/93/589874293.db2.gz ZKZSPGLLXSRYPK-LSDHHAIUSA-N 1 0 244.382 3.787 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000872123461 589875582 /nfs/dbraw/zinc/87/55/82/589875582.db2.gz QSMCGDJGCVOXCS-DOMZBBRYSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000872123462 589875404 /nfs/dbraw/zinc/87/54/04/589875404.db2.gz QSMCGDJGCVOXCS-IUODEOHRSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000872123463 589875203 /nfs/dbraw/zinc/87/52/03/589875203.db2.gz QSMCGDJGCVOXCS-SWLSCSKDSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000872123464 589875709 /nfs/dbraw/zinc/87/57/09/589875709.db2.gz QSMCGDJGCVOXCS-WFASDCNBSA-N 1 0 240.350 3.513 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131297 589877471 /nfs/dbraw/zinc/87/74/71/589877471.db2.gz ZGNXFLGDBCZJFB-DTWKUNHWSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131298 589877805 /nfs/dbraw/zinc/87/78/05/589877805.db2.gz ZGNXFLGDBCZJFB-RKDXNWHRSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131675 589877491 /nfs/dbraw/zinc/87/74/91/589877491.db2.gz ZGNXFLGDBCZJFB-BDAKNGLRSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872131676 589877786 /nfs/dbraw/zinc/87/77/86/589877786.db2.gz ZGNXFLGDBCZJFB-IUCAKERBSA-N 1 0 246.276 3.550 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872131920 589877374 /nfs/dbraw/zinc/87/73/74/589877374.db2.gz AVCCIDYUALTANI-OBJOEFQTSA-N 1 0 249.402 3.650 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872131922 589877695 /nfs/dbraw/zinc/87/76/95/589877695.db2.gz AVCCIDYUALTANI-OUCADQQQSA-N 1 0 249.402 3.650 20 0 BHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872131923 589877809 /nfs/dbraw/zinc/87/78/09/589877809.db2.gz AVCCIDYUALTANI-SCRDCRAPSA-N 1 0 249.402 3.650 20 0 BHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872131925 589877442 /nfs/dbraw/zinc/87/74/42/589877442.db2.gz AVCCIDYUALTANI-SGMGOOAPSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133175 589878573 /nfs/dbraw/zinc/87/85/73/589878573.db2.gz LGUCBCLXKQPARB-FPMFFAJLSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)c1nccnc1C ZINC000872133176 589878348 /nfs/dbraw/zinc/87/83/48/589878348.db2.gz LGUCBCLXKQPARB-IACUBPJLSA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133177 589878169 /nfs/dbraw/zinc/87/81/69/589878169.db2.gz LGUCBCLXKQPARB-UBHSHLNASA-N 1 0 249.402 3.650 20 0 BHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)c1nccnc1C ZINC000872133178 589878239 /nfs/dbraw/zinc/87/82/39/589878239.db2.gz LGUCBCLXKQPARB-YUTCNCBUSA-N 1 0 249.402 3.650 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872135121 589878481 /nfs/dbraw/zinc/87/84/81/589878481.db2.gz VMKMNIPEJSGKEO-FPMFFAJLSA-N 1 0 249.402 3.650 20 0 BHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)c1nccnc1C ZINC000872135122 589878604 /nfs/dbraw/zinc/87/86/04/589878604.db2.gz VMKMNIPEJSGKEO-IACUBPJLSA-N 1 0 249.402 3.650 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872135123 589878445 /nfs/dbraw/zinc/87/84/45/589878445.db2.gz VMKMNIPEJSGKEO-UBHSHLNASA-N 1 0 249.402 3.650 20 0 BHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)c1nccnc1C ZINC000872135124 589878612 /nfs/dbraw/zinc/87/86/12/589878612.db2.gz VMKMNIPEJSGKEO-YUTCNCBUSA-N 1 0 249.402 3.650 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC1 ZINC000872278142 589904770 /nfs/dbraw/zinc/90/47/70/589904770.db2.gz HQPDTMHLLGDDHC-GDBMZVCRSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@H]([N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC1 ZINC000872278143 589904917 /nfs/dbraw/zinc/90/49/17/589904917.db2.gz HQPDTMHLLGDDHC-GOEBONIOSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@H]([N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC1 ZINC000872278144 589905244 /nfs/dbraw/zinc/90/52/44/589905244.db2.gz HQPDTMHLLGDDHC-HOCLYGCPSA-N 1 0 249.398 3.519 20 0 BHADRO C1=C[C@@H]([N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC1 ZINC000872278145 589904920 /nfs/dbraw/zinc/90/49/20/589904920.db2.gz HQPDTMHLLGDDHC-ZBFHGGJFSA-N 1 0 249.398 3.519 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278406 589905382 /nfs/dbraw/zinc/90/53/82/589905382.db2.gz PPZSRTBQVWSEAL-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278407 589905347 /nfs/dbraw/zinc/90/53/47/589905347.db2.gz PPZSRTBQVWSEAL-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280098 589905204 /nfs/dbraw/zinc/90/52/04/589905204.db2.gz JUZSFDOPKQNIOG-DZGCQCFKSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280100 589904741 /nfs/dbraw/zinc/90/47/41/589904741.db2.gz JUZSFDOPKQNIOG-HIFRSBDPSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280102 589905175 /nfs/dbraw/zinc/90/51/75/589905175.db2.gz JUZSFDOPKQNIOG-UKRRQHHQSA-N 1 0 239.403 3.599 20 0 BHADRO CCC[C@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280104 589905329 /nfs/dbraw/zinc/90/53/29/589905329.db2.gz JUZSFDOPKQNIOG-ZFWWWQNUSA-N 1 0 239.403 3.599 20 0 BHADRO C1=C(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC1 ZINC000872282706 589905927 /nfs/dbraw/zinc/90/59/27/589905927.db2.gz RYDHIAXROWBVBQ-INIZCTEOSA-N 1 0 249.398 3.520 20 0 BHADRO C1=C(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC1 ZINC000872282707 589905837 /nfs/dbraw/zinc/90/58/37/589905837.db2.gz RYDHIAXROWBVBQ-MRXNPFEDSA-N 1 0 249.398 3.520 20 0 BHADRO FCC[C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872601034 589956009 /nfs/dbraw/zinc/95/60/09/589956009.db2.gz OUMCNYCGMHZNDR-GFCCVEGCSA-N 1 0 248.345 3.535 20 0 BHADRO FCC[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872601037 589955678 /nfs/dbraw/zinc/95/56/78/589955678.db2.gz OUMCNYCGMHZNDR-LBPRGKRZSA-N 1 0 248.345 3.535 20 0 BHADRO FCCC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872622385 589956677 /nfs/dbraw/zinc/95/66/77/589956677.db2.gz REWXKDULAQKUEH-UHFFFAOYSA-N 1 0 248.345 3.535 20 0 BHADRO CCC(C)(C)[NH2+]Cc1cccc2ncccc12 ZINC000873034811 589980428 /nfs/dbraw/zinc/98/04/28/589980428.db2.gz YMGDNGXJDOHWFG-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CC1([NH2+]Cc2cccc3ncccc23)CCCC1 ZINC000873038007 589980810 /nfs/dbraw/zinc/98/08/10/589980810.db2.gz IBDVGTYYMKBESX-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC(C)([NH2+]Cc1cccc2ncccc12)C1CC1 ZINC000873059883 589981568 /nfs/dbraw/zinc/98/15/68/589981568.db2.gz AMHLPWBUBCDEFX-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1([NH2+]Cc2cccc3ncccc23)CCC1 ZINC000873071291 589982645 /nfs/dbraw/zinc/98/26/45/589982645.db2.gz YLCLTJXUIZXZAA-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC1(CC[NH2+]Cc2cccc3ncccc23)CC1 ZINC000873117771 589985165 /nfs/dbraw/zinc/98/51/65/589985165.db2.gz ZPKJRCXJOQXTQL-UHFFFAOYSA-N 1 0 240.350 3.515 20 0 BHADRO CC(C)(C)c1ccc(C[NH2+]Cc2cc[nH]c2)s1 ZINC000873153886 589986719 /nfs/dbraw/zinc/98/67/19/589986719.db2.gz KMIBFJMCUVUNJJ-UHFFFAOYSA-N 1 0 248.395 3.664 20 0 BHADRO Cc1scc(C[NH2+]C2(C)CC(F)(F)C2)c1C ZINC000873197540 589992230 /nfs/dbraw/zinc/99/22/30/589992230.db2.gz FOGWVUQZMQIXST-UHFFFAOYSA-N 1 0 245.338 3.642 20 0 BHADRO CCc1cccc(C[NH2+]C2(C)CC(F)(F)C2)c1 ZINC000873197794 589991809 /nfs/dbraw/zinc/99/18/09/589991809.db2.gz SPSIHGNFHGYOLB-UHFFFAOYSA-N 1 0 239.309 3.526 20 0 BHADRO CC1([NH2+]C2CCCCCCC2)CC(F)(F)C1 ZINC000873197807 589991776 /nfs/dbraw/zinc/99/17/76/589991776.db2.gz BVWQLYRVCZSRIR-UHFFFAOYSA-N 1 0 231.330 3.877 20 0 BHADRO C[N@H+](Cc1nc(Cl)cs1)C1CCCCC1 ZINC000876523814 590208110 /nfs/dbraw/zinc/20/81/10/590208110.db2.gz FPIVQRKENZGEAU-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC[N@H+](Cc1cnc2c(F)cccc2c1)C(C)C ZINC000876561192 590216056 /nfs/dbraw/zinc/21/60/56/590216056.db2.gz MOUZIBFKYYBPEC-UHFFFAOYSA-N 1 0 246.329 3.604 20 0 BHADRO CSC(C)(C)CC[N@H+](C)[C@H](C)c1ccco1 ZINC000876573330 590217583 /nfs/dbraw/zinc/21/75/83/590217583.db2.gz ZFGJXCSWLCFYKG-LLVKDONJSA-N 1 0 241.400 3.804 20 0 BHADRO CSC(C)(C)CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000876573331 590217575 /nfs/dbraw/zinc/21/75/75/590217575.db2.gz ZFGJXCSWLCFYKG-NSHDSACASA-N 1 0 241.400 3.804 20 0 BHADRO CC[N@H+](Cc1nc(Cl)cs1)C1CCCC1 ZINC000876580793 590218493 /nfs/dbraw/zinc/21/84/93/590218493.db2.gz QQVOJMAVQXLKRM-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2ccccn2)CCCC1 ZINC000876585568 590218853 /nfs/dbraw/zinc/21/88/53/590218853.db2.gz OMJWMZAXEUHCRY-HNNXBMFYSA-N 1 0 244.382 3.799 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2ccccn2)CCCC1 ZINC000876585569 590218608 /nfs/dbraw/zinc/21/86/08/590218608.db2.gz OMJWMZAXEUHCRY-OAHLLOKOSA-N 1 0 244.382 3.799 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2(C)CCCC2)no1 ZINC000876591568 584886082 /nfs/dbraw/zinc/88/60/82/584886082.db2.gz KVCLLKCVZFPFLW-AWEZNQCLSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CC2(C)CCCC2)no1 ZINC000876591569 584886115 /nfs/dbraw/zinc/88/61/15/584886115.db2.gz KVCLLKCVZFPFLW-CQSZACIVSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@@H]2CCC[N@H+]2CC2(C(C)C)CC2)no1 ZINC000876591570 584886195 /nfs/dbraw/zinc/88/61/95/584886195.db2.gz LARGMBZYGYMXGL-AWEZNQCLSA-N 1 0 248.370 3.556 20 0 BHADRO Cc1cc([C@H]2CCC[N@H+]2CC2(C(C)C)CC2)no1 ZINC000876591571 584886344 /nfs/dbraw/zinc/88/63/44/584886344.db2.gz LARGMBZYGYMXGL-CQSZACIVSA-N 1 0 248.370 3.556 20 0 BHADRO C[C@@H]([N@H+](C)Cc1nc(Cl)cs1)C(C)(C)C ZINC000876598031 590220505 /nfs/dbraw/zinc/22/05/05/590220505.db2.gz KLRJZQXOYJEPLF-MRVPVSSYSA-N 1 0 246.807 3.663 20 0 BHADRO C[C@H]([N@H+](C)Cc1nc(Cl)cs1)C(C)(C)C ZINC000876598065 590220522 /nfs/dbraw/zinc/22/05/22/590220522.db2.gz KLRJZQXOYJEPLF-QMMMGPOBSA-N 1 0 246.807 3.663 20 0 BHADRO CC(C)C[N@H+](Cc1nc(Cl)cs1)C(C)C ZINC000876611986 590222149 /nfs/dbraw/zinc/22/21/49/590222149.db2.gz YLGBPCLAQUQTGD-UHFFFAOYSA-N 1 0 246.807 3.663 20 0 BHADRO Cc1cc([C@H]2CCC[N@@H+]2CC2(C)CCCC2)on1 ZINC000876618121 590222436 /nfs/dbraw/zinc/22/24/36/590222436.db2.gz ZJIXJNNMYCMFCO-CYBMUJFWSA-N 1 0 248.370 3.700 20 0 BHADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2(C)CCCC2)on1 ZINC000876618122 590222292 /nfs/dbraw/zinc/22/22/92/590222292.db2.gz ZJIXJNNMYCMFCO-ZDUSSCGKSA-N 1 0 248.370 3.700 20 0 BHADRO CC[N@H+](Cc1nc(Cl)cs1)[C@H](C)C(C)C ZINC000876643298 590225827 /nfs/dbraw/zinc/22/58/27/590225827.db2.gz CHWKAPNPBDZDFL-SECBINFHSA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1nc(Cl)cs1)[C@@H](C)C(C)C ZINC000876643299 590225866 /nfs/dbraw/zinc/22/58/66/590225866.db2.gz CHWKAPNPBDZDFL-VIFPVBQESA-N 1 0 246.807 3.663 20 0 BHADRO CC1(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)CCCC1 ZINC000876656094 590226611 /nfs/dbraw/zinc/22/66/11/590226611.db2.gz DSMJBUREODEZJT-CYBMUJFWSA-N 1 0 247.386 3.517 20 0 BHADRO CC1(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)CCCC1 ZINC000876656095 590226529 /nfs/dbraw/zinc/22/65/29/590226529.db2.gz DSMJBUREODEZJT-ZDUSSCGKSA-N 1 0 247.386 3.517 20 0 BHADRO C[N@H+](CCC[C@H]1CCO1)C1CCCCCCC1 ZINC000876656686 590226691 /nfs/dbraw/zinc/22/66/91/590226691.db2.gz FOEMZIOECHCHTL-HNNXBMFYSA-N 1 0 239.403 3.600 20 0 BHADRO C[N@H+](CCC[C@@H]1CCO1)C1CCCCCCC1 ZINC000876656687 590226832 /nfs/dbraw/zinc/22/68/32/590226832.db2.gz FOEMZIOECHCHTL-OAHLLOKOSA-N 1 0 239.403 3.600 20 0 BHADRO CSC(C)(C)CC[NH+]1Cc2ccccc2C1 ZINC000876696192 590231595 /nfs/dbraw/zinc/23/15/95/590231595.db2.gz PSVIDORXDMPRBT-UHFFFAOYSA-N 1 0 235.396 3.534 20 0 BHADRO CC(C)[N@H+](Cc1nc(Cl)cs1)C1CCC1 ZINC000876759946 590238957 /nfs/dbraw/zinc/23/89/57/590238957.db2.gz QZWSBQZRJFSXMS-UHFFFAOYSA-N 1 0 244.791 3.559 20 0 BHADRO CCOC1CC(C[NH2+]C2CCCCCCC2)C1 ZINC000876885296 590253757 /nfs/dbraw/zinc/25/37/57/590253757.db2.gz LQICUDOOYSQKEW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO c1c(C[NH2+]C2CCCCCCC2)onc1C1CC1 ZINC000876886055 584887897 /nfs/dbraw/zinc/88/78/97/584887897.db2.gz RKNBTVVNVGVHLX-UHFFFAOYSA-N 1 0 248.370 3.755 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000876887255 590252742 /nfs/dbraw/zinc/25/27/42/590252742.db2.gz QAIHQBXLDVSXRD-SECBINFHSA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000876887256 590253146 /nfs/dbraw/zinc/25/31/46/590253146.db2.gz QAIHQBXLDVSXRD-VIFPVBQESA-N 1 0 246.807 3.711 20 0 BHADRO CC1([NH2+]Cc2nc(Cl)cs2)CCCCC1 ZINC000876899035 590255415 /nfs/dbraw/zinc/25/54/15/590255415.db2.gz SDBQVPHZSOSJKS-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000876904552 590255577 /nfs/dbraw/zinc/25/55/77/590255577.db2.gz DXQZDCRXNLNVCT-KBPBESRZSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000876904553 590255530 /nfs/dbraw/zinc/25/55/30/590255530.db2.gz DXQZDCRXNLNVCT-KGLIPLIRSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000876904554 590255599 /nfs/dbraw/zinc/25/55/99/590255599.db2.gz DXQZDCRXNLNVCT-UONOGXRCSA-N 1 0 227.392 3.504 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000876904555 590255690 /nfs/dbraw/zinc/25/56/90/590255690.db2.gz DXQZDCRXNLNVCT-ZIAGYGMSSA-N 1 0 227.392 3.504 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC000876904837 590255472 /nfs/dbraw/zinc/25/54/72/590255472.db2.gz LSDMCSMGTDUSSG-LLVKDONJSA-N 1 0 248.197 3.660 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC000876904838 590255557 /nfs/dbraw/zinc/25/55/57/590255557.db2.gz LSDMCSMGTDUSSG-NSHDSACASA-N 1 0 248.197 3.660 20 0 BHADRO Clc1csc(C[NH2+]C2CCCCCC2)n1 ZINC000876905071 590255776 /nfs/dbraw/zinc/25/57/76/590255776.db2.gz PGBVNIDTZGCCRA-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCCC[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000876905074 590255880 /nfs/dbraw/zinc/25/58/80/590255880.db2.gz PLDSVRQSBXSVAH-NFOMZHRRSA-N 1 0 249.402 3.535 20 0 BHADRO CCCCCC[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000876905075 590256030 /nfs/dbraw/zinc/25/60/30/590256030.db2.gz PLDSVRQSBXSVAH-WLYUNCDWSA-N 1 0 249.402 3.535 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000876906010 590255893 /nfs/dbraw/zinc/25/58/93/590255893.db2.gz OFENASXKHZYLSR-LLVKDONJSA-N 1 0 236.359 3.610 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000876906011 590255869 /nfs/dbraw/zinc/25/58/69/590255869.db2.gz OFENASXKHZYLSR-NSHDSACASA-N 1 0 236.359 3.610 20 0 BHADRO C(C[NH2+]CC1CCCCCCC1)C[C@H]1CCO1 ZINC000876951581 590260277 /nfs/dbraw/zinc/26/02/77/590260277.db2.gz DAMZQPSBQZWDGI-HNNXBMFYSA-N 1 0 239.403 3.506 20 0 BHADRO C(C[NH2+]CC1CCCCCCC1)C[C@@H]1CCO1 ZINC000876951582 590259243 /nfs/dbraw/zinc/25/92/43/590259243.db2.gz DAMZQPSBQZWDGI-OAHLLOKOSA-N 1 0 239.403 3.506 20 0 BHADRO C[C@H](C[NH2+]Cc1nc(Cl)cs1)C(C)(C)C ZINC000877040980 590273362 /nfs/dbraw/zinc/27/33/62/590273362.db2.gz AFLJSCXCDBSQJW-MRVPVSSYSA-N 1 0 246.807 3.568 20 0 BHADRO C[C@@H](C[NH2+]Cc1nc(Cl)cs1)C(C)(C)C ZINC000877040981 590273719 /nfs/dbraw/zinc/27/37/19/590273719.db2.gz AFLJSCXCDBSQJW-QMMMGPOBSA-N 1 0 246.807 3.568 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc(Cl)cs1 ZINC000877043325 590274000 /nfs/dbraw/zinc/27/40/00/590274000.db2.gz GBMXEAOEUDXUCQ-UHFFFAOYSA-N 1 0 246.807 3.855 20 0 BHADRO CC[C@](C)([NH2+]Cc1ccns1)c1ccccc1 ZINC000877045509 590273758 /nfs/dbraw/zinc/27/37/58/590273758.db2.gz AZFUPQAFXZWBGY-AWEZNQCLSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@@](C)([NH2+]Cc1ccns1)c1ccccc1 ZINC000877045515 590274183 /nfs/dbraw/zinc/27/41/83/590274183.db2.gz AZFUPQAFXZWBGY-CQSZACIVSA-N 1 0 246.379 3.558 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877068500 590277116 /nfs/dbraw/zinc/27/71/16/590277116.db2.gz XWJLPYLZAQSJNK-BDAKNGLRSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877068501 590277139 /nfs/dbraw/zinc/27/71/39/590277139.db2.gz XWJLPYLZAQSJNK-DTWKUNHWSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877068502 590277277 /nfs/dbraw/zinc/27/72/77/590277277.db2.gz XWJLPYLZAQSJNK-IUCAKERBSA-N 1 0 246.807 3.711 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877068503 590277210 /nfs/dbraw/zinc/27/72/10/590277210.db2.gz XWJLPYLZAQSJNK-RKDXNWHRSA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)C([NH2+]Cc1nc(Cl)cs1)C(C)C ZINC000877098305 590282376 /nfs/dbraw/zinc/28/23/76/590282376.db2.gz ORSGQCZIRMGYSX-UHFFFAOYSA-N 1 0 246.807 3.567 20 0 BHADRO CC1(C[NH2+]CCC[C@@H]2CCCCO2)CCCC1 ZINC000877353946 590319349 /nfs/dbraw/zinc/31/93/49/590319349.db2.gz XUHLWODKLFYHLP-AWEZNQCLSA-N 1 0 239.403 3.506 20 0 BHADRO CC1(C[NH2+]CCC[C@H]2CCCCO2)CCCC1 ZINC000877353947 590318869 /nfs/dbraw/zinc/31/88/69/590318869.db2.gz XUHLWODKLFYHLP-CQSZACIVSA-N 1 0 239.403 3.506 20 0 BHADRO CC(C)C(C)(C)C[NH2+]Cc1nc(Cl)cs1 ZINC000877462949 590332472 /nfs/dbraw/zinc/33/24/72/590332472.db2.gz XBQGKJNGTGSRJT-UHFFFAOYSA-N 1 0 246.807 3.568 20 0 BHADRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2CC(F)(F)C2)CC1 ZINC000877476926 590336208 /nfs/dbraw/zinc/33/62/08/590336208.db2.gz QZLCCWMNUGOCMH-NEPJUHHUSA-N 1 0 243.341 3.899 20 0 BHADRO CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CC(F)(F)C2)CC1 ZINC000877476927 590336349 /nfs/dbraw/zinc/33/63/49/590336349.db2.gz QZLCCWMNUGOCMH-NWDGAFQWSA-N 1 0 243.341 3.899 20 0 BHADRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2CC(F)(F)C2)CC1 ZINC000877476928 590336357 /nfs/dbraw/zinc/33/63/57/590336357.db2.gz QZLCCWMNUGOCMH-RYUDHWBXSA-N 1 0 243.341 3.899 20 0 BHADRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CC(F)(F)C2)CC1 ZINC000877476929 590336400 /nfs/dbraw/zinc/33/64/00/590336400.db2.gz QZLCCWMNUGOCMH-VXGBXAGGSA-N 1 0 243.341 3.899 20 0 BHADRO C[N@H+](Cc1nc(Cl)cs1)C1(C)CCCC1 ZINC000877483278 590338164 /nfs/dbraw/zinc/33/81/64/590338164.db2.gz RQFNFFZRHQNZJG-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO Cc1scc(C[NH+]2CCC(F)(F)CC2)c1C ZINC000877492753 590340437 /nfs/dbraw/zinc/34/04/37/590340437.db2.gz RMOMMFLCRJQMNQ-UHFFFAOYSA-N 1 0 245.338 3.596 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2ccncc2)CCCC1 ZINC000877522948 590347187 /nfs/dbraw/zinc/34/71/87/590347187.db2.gz FXWGIMKXHOVTDK-HNNXBMFYSA-N 1 0 244.382 3.799 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2ccncc2)CCCC1 ZINC000877522949 590347277 /nfs/dbraw/zinc/34/72/77/590347277.db2.gz FXWGIMKXHOVTDK-OAHLLOKOSA-N 1 0 244.382 3.799 20 0 BHADRO CC1(C[N@@H+]2CCC[C@H]2c2cccnc2)CCCC1 ZINC000877523708 590347081 /nfs/dbraw/zinc/34/70/81/590347081.db2.gz MCRBZWMHDYZZTR-HNNXBMFYSA-N 1 0 244.382 3.799 20 0 BHADRO CC1(C[N@@H+]2CCC[C@@H]2c2cccnc2)CCCC1 ZINC000877523709 590346507 /nfs/dbraw/zinc/34/65/07/590346507.db2.gz MCRBZWMHDYZZTR-OAHLLOKOSA-N 1 0 244.382 3.799 20 0 BHADRO CC[N@H+](Cc1nc(Cl)cs1)CC(C)(C)C ZINC000877544015 590352638 /nfs/dbraw/zinc/35/26/38/590352638.db2.gz KCKKHHWZSZRVFN-UHFFFAOYSA-N 1 0 246.807 3.665 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877548031 590353955 /nfs/dbraw/zinc/35/39/55/590353955.db2.gz DHQFGHBJLVYJMR-MRVPVSSYSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877548032 590353700 /nfs/dbraw/zinc/35/37/00/590353700.db2.gz DHQFGHBJLVYJMR-QMMMGPOBSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)(C)C(C)(C)[NH2+]Cc1nc(Cl)cs1 ZINC000877548764 590354636 /nfs/dbraw/zinc/35/46/36/590354636.db2.gz ARQAEUWCINXJSJ-UHFFFAOYSA-N 1 0 246.807 3.711 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCCC1)c1ccccn1 ZINC000877558563 590359015 /nfs/dbraw/zinc/35/90/15/590359015.db2.gz JWRPPXBTNNQQNI-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO CCC1([NH2+]Cc2nc(Cl)cs2)CCCC1 ZINC000877562617 590359448 /nfs/dbraw/zinc/35/94/48/590359448.db2.gz XTYJRSDLXBICJK-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1nc(Cl)cs1 ZINC000877577207 590363938 /nfs/dbraw/zinc/36/39/38/590363938.db2.gz BVWQAWONUKCWIM-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1nc(Cl)cs1 ZINC000877577208 590363968 /nfs/dbraw/zinc/36/39/68/590363968.db2.gz BVWQAWONUKCWIM-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877578160 590353877 /nfs/dbraw/zinc/35/38/77/590353877.db2.gz WUPAAIPLEZZADR-BDAKNGLRSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877578161 590354460 /nfs/dbraw/zinc/35/44/60/590354460.db2.gz WUPAAIPLEZZADR-DTWKUNHWSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877578162 590354777 /nfs/dbraw/zinc/35/47/77/590354777.db2.gz WUPAAIPLEZZADR-IUCAKERBSA-N 1 0 238.202 3.595 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877578163 590353946 /nfs/dbraw/zinc/35/39/46/590353946.db2.gz WUPAAIPLEZZADR-RKDXNWHRSA-N 1 0 238.202 3.595 20 0 BHADRO CC(C)(C[NH2+]CC1(C)CCCC1)c1cccnc1 ZINC000877592627 590368680 /nfs/dbraw/zinc/36/86/80/590368680.db2.gz RABXLLHAOXSHBU-UHFFFAOYSA-N 1 0 246.398 3.529 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877623290 590377123 /nfs/dbraw/zinc/37/71/23/590377123.db2.gz KYBFSGZPNVIISS-MRVPVSSYSA-N 1 0 246.807 3.711 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877623291 590377237 /nfs/dbraw/zinc/37/72/37/590377237.db2.gz KYBFSGZPNVIISS-QMMMGPOBSA-N 1 0 246.807 3.711 20 0 BHADRO C[C@@]1(CC[NH2+]CC2(C)CCCC2)CC1(F)F ZINC000877630561 590377941 /nfs/dbraw/zinc/37/79/41/590377941.db2.gz LAZIJTLGSVSNNV-GFCCVEGCSA-N 1 0 231.330 3.592 20 0 BHADRO C[C@]1(CC[NH2+]CC2(C)CCCC2)CC1(F)F ZINC000877630563 590378048 /nfs/dbraw/zinc/37/80/48/590378048.db2.gz LAZIJTLGSVSNNV-LBPRGKRZSA-N 1 0 231.330 3.592 20 0 BHADRO CC1(C)CCC(C)([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000877655984 590386197 /nfs/dbraw/zinc/38/61/97/590386197.db2.gz RPWMTSYAIGRSPR-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CC1(C)CCC(C)([NH2+]CCC[C@H]2CCO2)CC1 ZINC000877655985 590385877 /nfs/dbraw/zinc/38/58/77/590385877.db2.gz RPWMTSYAIGRSPR-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000877656108 590386186 /nfs/dbraw/zinc/38/61/86/590386186.db2.gz WSIRCXXMSRHDAU-GHMZBOCLSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000877656109 590385738 /nfs/dbraw/zinc/38/57/38/590385738.db2.gz WSIRCXXMSRHDAU-MNOVXSKESA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CC[C@H]1CC=CCC1 ZINC000877656110 590386366 /nfs/dbraw/zinc/38/63/66/590386366.db2.gz WSIRCXXMSRHDAU-QWRGUYRKSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CC[C@H]1CC=CCC1 ZINC000877656111 590385973 /nfs/dbraw/zinc/38/59/73/590385973.db2.gz WSIRCXXMSRHDAU-WDEREUQCSA-N 1 0 248.197 3.516 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]Cc1cc(C2CC2)no1 ZINC000877674397 590390562 /nfs/dbraw/zinc/39/05/62/590390562.db2.gz VGMUXNYRUYAGGL-LLVKDONJSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]Cc1cc(C2CC2)no1 ZINC000877674398 590390573 /nfs/dbraw/zinc/39/05/73/590390573.db2.gz VGMUXNYRUYAGGL-NSHDSACASA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@]12C[C@H]1CCCC2 ZINC000877686159 590391655 /nfs/dbraw/zinc/39/16/55/590391655.db2.gz MERCTIUJPIEBCV-NBPQJYFTSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@@]12C[C@@H]1CCCC2 ZINC000877686161 590392169 /nfs/dbraw/zinc/39/21/69/590392169.db2.gz MERCTIUJPIEBCV-UCKBLJCYSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)[C@@]12C[C@@H]1CCCC2 ZINC000877686660 590392256 /nfs/dbraw/zinc/39/22/56/590392256.db2.gz SMCMFDZTPOAZLA-FPYNETTCSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)[C@@]12C[C@@H]1CCCC2 ZINC000877686661 590391729 /nfs/dbraw/zinc/39/17/29/590391729.db2.gz SMCMFDZTPOAZLA-OBPIAQAESA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CC1(F)F ZINC000877697361 590394158 /nfs/dbraw/zinc/39/41/58/590394158.db2.gz HNRKTKRCCNTKMA-CMPLNLGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC1(F)F ZINC000877697362 590393789 /nfs/dbraw/zinc/39/37/89/590393789.db2.gz HNRKTKRCCNTKMA-JQWIXIFHSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC1(F)F ZINC000877697363 590394208 /nfs/dbraw/zinc/39/42/08/590394208.db2.gz HNRKTKRCCNTKMA-PWSUYJOCSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CC1(F)F ZINC000877697364 590394148 /nfs/dbraw/zinc/39/41/48/590394148.db2.gz HNRKTKRCCNTKMA-ZYHUDNBSSA-N 1 0 243.341 3.590 20 0 BHADRO FC(F)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000877698140 590393620 /nfs/dbraw/zinc/39/36/20/590393620.db2.gz QULXFIJHAOBPFM-UHFFFAOYSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]CCCCC1CC1)C1CC(F)(F)C1 ZINC000877730216 590403836 /nfs/dbraw/zinc/40/38/36/590403836.db2.gz QJXLPYHCXCWZKX-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CC1)C1CC(F)(F)C1 ZINC000877730217 590403700 /nfs/dbraw/zinc/40/37/00/590403700.db2.gz QJXLPYHCXCWZKX-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)CC1 ZINC000877730659 590403937 /nfs/dbraw/zinc/40/39/37/590403937.db2.gz CLVSJMDKHPLMQN-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)CC1 ZINC000877730660 590403611 /nfs/dbraw/zinc/40/36/11/590403611.db2.gz CLVSJMDKHPLMQN-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877760673 590418897 /nfs/dbraw/zinc/41/88/97/590418897.db2.gz JXYPLHGPRPSDAZ-GHMZBOCLSA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877760823 590419584 /nfs/dbraw/zinc/41/95/84/590419584.db2.gz LSDYCNYQADOBNR-GHMZBOCLSA-N 1 0 235.293 3.519 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C1CCC1 ZINC000877760907 590419684 /nfs/dbraw/zinc/41/96/84/590419684.db2.gz NTGZGFDCBMQBFH-MVWJERBFSA-N 1 0 247.304 3.662 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C1CCC1 ZINC000877760908 590419654 /nfs/dbraw/zinc/41/96/54/590419654.db2.gz NTGZGFDCBMQBFH-YUSALJHKSA-N 1 0 247.304 3.662 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CCC[C@@H]1C=CCC1 ZINC000877804809 590425811 /nfs/dbraw/zinc/42/58/11/590425811.db2.gz DRGYWSRJACAXCU-GHMZBOCLSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CCC[C@@H]1C=CCC1 ZINC000877804810 590425889 /nfs/dbraw/zinc/42/58/89/590425889.db2.gz DRGYWSRJACAXCU-MNOVXSKESA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CCC[C@H]1C=CCC1 ZINC000877804811 590425932 /nfs/dbraw/zinc/42/59/32/590425932.db2.gz DRGYWSRJACAXCU-QWRGUYRKSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CCC[C@H]1C=CCC1 ZINC000877804812 590425645 /nfs/dbraw/zinc/42/56/45/590425645.db2.gz DRGYWSRJACAXCU-WDEREUQCSA-N 1 0 248.197 3.516 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)C1CC(F)(F)C1 ZINC000877807561 590426480 /nfs/dbraw/zinc/42/64/80/590426480.db2.gz XGKAYUVIMASJIY-NEPJUHHUSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)C1CC(F)(F)C1 ZINC000877807563 590426381 /nfs/dbraw/zinc/42/63/81/590426381.db2.gz XGKAYUVIMASJIY-NWDGAFQWSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)C1CC(F)(F)C1 ZINC000877807565 583348051 /nfs/dbraw/zinc/34/80/51/583348051.db2.gz XGKAYUVIMASJIY-RYUDHWBXSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)C1CC(F)(F)C1 ZINC000877807569 583348040 /nfs/dbraw/zinc/34/80/40/583348040.db2.gz XGKAYUVIMASJIY-VXGBXAGGSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2)C1 ZINC000877813633 590426971 /nfs/dbraw/zinc/42/69/71/590426971.db2.gz IRDKQELJVLDAOY-JTQLQIEISA-N 1 0 249.301 3.522 20 0 BHADRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccsc2)C1 ZINC000877813635 590427041 /nfs/dbraw/zinc/42/70/41/590427041.db2.gz IRDKQELJVLDAOY-SNVBAGLBSA-N 1 0 249.301 3.522 20 0 BHADRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccs2)C1 ZINC000877814567 590427514 /nfs/dbraw/zinc/42/75/14/590427514.db2.gz UEJVCNKARNAJGF-JTQLQIEISA-N 1 0 249.301 3.522 20 0 BHADRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccs2)C1 ZINC000877814568 590427135 /nfs/dbraw/zinc/42/71/35/590427135.db2.gz UEJVCNKARNAJGF-SNVBAGLBSA-N 1 0 249.301 3.522 20 0 BHADRO CCCC(CCC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833299 590429865 /nfs/dbraw/zinc/42/98/65/590429865.db2.gz FIFIALVULQXDSL-UHFFFAOYSA-N 1 0 219.319 3.733 20 0 BHADRO CC1([NH2+][C@H]2CCCC(C)(C)C2)CC(F)(F)C1 ZINC000877833371 590430268 /nfs/dbraw/zinc/43/02/68/590430268.db2.gz HBYLGOBZMRSATJ-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO CC1([NH2+][C@@H]2CCCC(C)(C)C2)CC(F)(F)C1 ZINC000877833373 590430278 /nfs/dbraw/zinc/43/02/78/590430278.db2.gz HBYLGOBZMRSATJ-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1(C)CC(F)(F)C1 ZINC000877833410 590430112 /nfs/dbraw/zinc/43/01/12/590430112.db2.gz HPHCKSPJWHHFEV-NXEZZACHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1(C)CC(F)(F)C1 ZINC000877833411 590430222 /nfs/dbraw/zinc/43/02/22/590430222.db2.gz HPHCKSPJWHHFEV-UWVGGRQHSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1(C)CC(F)(F)C1 ZINC000877833412 590429820 /nfs/dbraw/zinc/42/98/20/590429820.db2.gz HPHCKSPJWHHFEV-VHSXEESVSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1(C)CC(F)(F)C1 ZINC000877833413 590429780 /nfs/dbraw/zinc/42/97/80/590429780.db2.gz HPHCKSPJWHHFEV-ZJUUUORDSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H](CC1CCCC1)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833703 590429813 /nfs/dbraw/zinc/42/98/13/590429813.db2.gz KHDLBXZIZXXOJK-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833704 590430209 /nfs/dbraw/zinc/43/02/09/590430209.db2.gz KHDLBXZIZXXOJK-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834000 583349525 /nfs/dbraw/zinc/34/95/25/583349525.db2.gz NDVVMEZGOLSCSQ-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834001 583349483 /nfs/dbraw/zinc/34/94/83/583349483.db2.gz NDVVMEZGOLSCSQ-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834452 590430552 /nfs/dbraw/zinc/43/05/52/590430552.db2.gz SSYTWHYUFRBGSQ-LLVKDONJSA-N 1 0 231.330 3.899 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834453 590430566 /nfs/dbraw/zinc/43/05/66/590430566.db2.gz SSYTWHYUFRBGSQ-NSHDSACASA-N 1 0 231.330 3.899 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC(F)(F)C1 ZINC000877834468 590430454 /nfs/dbraw/zinc/43/04/54/590430454.db2.gz TWCQTUYQEAVZSP-NEPJUHHUSA-N 1 0 243.341 3.733 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC(F)(F)C1 ZINC000877834470 590430565 /nfs/dbraw/zinc/43/05/65/590430565.db2.gz TWCQTUYQEAVZSP-NWDGAFQWSA-N 1 0 243.341 3.733 20 0 BHADRO CC1([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC(F)(F)C1 ZINC000877834472 590430959 /nfs/dbraw/zinc/43/09/59/590430959.db2.gz TWCQTUYQEAVZSP-RYUDHWBXSA-N 1 0 243.341 3.733 20 0 BHADRO CC1([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC(F)(F)C1 ZINC000877834474 590430417 /nfs/dbraw/zinc/43/04/17/590430417.db2.gz TWCQTUYQEAVZSP-VXGBXAGGSA-N 1 0 243.341 3.733 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834515 590431006 /nfs/dbraw/zinc/43/10/06/590431006.db2.gz SZVKYNDVUZVDLK-JTQLQIEISA-N 1 0 219.319 3.589 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834517 590430598 /nfs/dbraw/zinc/43/05/98/590430598.db2.gz SZVKYNDVUZVDLK-SNVBAGLBSA-N 1 0 219.319 3.589 20 0 BHADRO CC1([NH2+]C2CCC(C)(C)CC2)CC(F)(F)C1 ZINC000877834537 590430997 /nfs/dbraw/zinc/43/09/97/590430997.db2.gz UPSVBGSPWFBJJO-UHFFFAOYSA-N 1 0 231.330 3.733 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834550 590430580 /nfs/dbraw/zinc/43/05/80/590430580.db2.gz TXMGUXUMOVNHIK-JTQLQIEISA-N 1 0 219.319 3.733 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834551 590430465 /nfs/dbraw/zinc/43/04/65/590430465.db2.gz TXMGUXUMOVNHIK-SNVBAGLBSA-N 1 0 219.319 3.733 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834642 590430535 /nfs/dbraw/zinc/43/05/35/590430535.db2.gz URZIDHQRWCBLHZ-SECBINFHSA-N 1 0 219.319 3.589 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834643 590430774 /nfs/dbraw/zinc/43/07/74/590430774.db2.gz URZIDHQRWCBLHZ-VIFPVBQESA-N 1 0 219.319 3.589 20 0 BHADRO CC1([NH2+]C2CC3(C2)CCCCC3)CC(F)(F)C1 ZINC000877834840 583349616 /nfs/dbraw/zinc/34/96/16/583349616.db2.gz XPKOOLRUKYNXJI-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO Clc1ncsc1C[NH+]1CCCCCCC1 ZINC000877902365 590443349 /nfs/dbraw/zinc/44/33/49/590443349.db2.gz OKDWGNPMAVFDOJ-UHFFFAOYSA-N 1 0 244.791 3.563 20 0 BHADRO C[N@H+](CC[C@H]1CCCC1(F)F)Cc1ccco1 ZINC000877906579 590444277 /nfs/dbraw/zinc/44/42/77/590444277.db2.gz SPOFLFRZKZBPLL-LLVKDONJSA-N 1 0 243.297 3.537 20 0 BHADRO C[N@H+](CC[C@@H]1CCCC1(F)F)Cc1ccco1 ZINC000877906580 590444338 /nfs/dbraw/zinc/44/43/38/590444338.db2.gz SPOFLFRZKZBPLL-NSHDSACASA-N 1 0 243.297 3.537 20 0 BHADRO C[N@H+](CC[C@H]1CCCC1(F)F)C1CCCC1 ZINC000877925033 590448520 /nfs/dbraw/zinc/44/85/20/590448520.db2.gz OFPDREWTEKMDLM-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO C[N@H+](CC[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000877925034 590448088 /nfs/dbraw/zinc/44/80/88/590448088.db2.gz OFPDREWTEKMDLM-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000877929210 590447350 /nfs/dbraw/zinc/44/73/50/590447350.db2.gz AQYMGARESORISZ-MRVPVSSYSA-N 1 0 247.260 3.529 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000877929211 590447899 /nfs/dbraw/zinc/44/78/99/590447899.db2.gz AQYMGARESORISZ-QMMMGPOBSA-N 1 0 247.260 3.529 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000877930222 590450031 /nfs/dbraw/zinc/45/00/31/590450031.db2.gz ZYXZORDVGSNNTH-CMPLNLGQSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@@H](C1CC1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000877930223 590449801 /nfs/dbraw/zinc/44/98/01/590449801.db2.gz ZYXZORDVGSNNTH-JQWIXIFHSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000877930224 590448612 /nfs/dbraw/zinc/44/86/12/590448612.db2.gz ZYXZORDVGSNNTH-PWSUYJOCSA-N 1 0 231.330 3.542 20 0 BHADRO C[C@H](C1CC1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000877930225 590448122 /nfs/dbraw/zinc/44/81/22/590448122.db2.gz ZYXZORDVGSNNTH-ZYHUDNBSSA-N 1 0 231.330 3.542 20 0 BHADRO C[N@H+](Cc1scnc1Cl)C1CCCCC1 ZINC000877935039 590452348 /nfs/dbraw/zinc/45/23/48/590452348.db2.gz OCDKFJXBIRNZDB-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000877935462 590451937 /nfs/dbraw/zinc/45/19/37/590451937.db2.gz RQKOKZTZTPIFQX-SECBINFHSA-N 1 0 244.791 3.561 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000877935463 590451767 /nfs/dbraw/zinc/45/17/67/590451767.db2.gz RQKOKZTZTPIFQX-VIFPVBQESA-N 1 0 244.791 3.561 20 0 BHADRO CC(C)(C)SCCC[NH+]1C2CCC1CC2 ZINC000877951569 590455607 /nfs/dbraw/zinc/45/56/07/590455607.db2.gz OLPLRHCDKNBZPB-UHFFFAOYSA-N 1 0 227.417 3.535 20 0 BHADRO C[C@@H]([N@H+](C)Cc1scnc1Cl)C(C)(C)C ZINC000877953436 590456738 /nfs/dbraw/zinc/45/67/38/590456738.db2.gz MVBVMDODANCFJH-MRVPVSSYSA-N 1 0 246.807 3.663 20 0 BHADRO C[C@H]([N@H+](C)Cc1scnc1Cl)C(C)(C)C ZINC000877953437 590456758 /nfs/dbraw/zinc/45/67/58/590456758.db2.gz MVBVMDODANCFJH-QMMMGPOBSA-N 1 0 246.807 3.663 20 0 BHADRO CC(C)[N@H+](Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000877964628 590460443 /nfs/dbraw/zinc/46/04/43/590460443.db2.gz IWMIMYSUJGMOKI-UHFFFAOYSA-N 1 0 247.260 3.671 20 0 BHADRO CC(C)[N@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000877964884 590460656 /nfs/dbraw/zinc/46/06/56/590460656.db2.gz OIKQURODBODHIR-LLVKDONJSA-N 1 0 231.330 3.685 20 0 BHADRO CC(C)[N@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000877964885 590460509 /nfs/dbraw/zinc/46/05/09/590460509.db2.gz OIKQURODBODHIR-NSHDSACASA-N 1 0 231.330 3.685 20 0 BHADRO CC(C)C[N@H+](Cc1scnc1Cl)C(C)C ZINC000877966752 590461373 /nfs/dbraw/zinc/46/13/73/590461373.db2.gz UZAZRHCAQKYJKX-UHFFFAOYSA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1scnc1Cl)C1CCCC1 ZINC000877969082 590461120 /nfs/dbraw/zinc/46/11/20/590461120.db2.gz WWMCRNJAOXSKTQ-UHFFFAOYSA-N 1 0 244.791 3.561 20 0 BHADRO Cc1conc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000877973013 590463470 /nfs/dbraw/zinc/46/34/70/590463470.db2.gz SBLIPNODVKBNAP-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Cc1conc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000877975566 590464499 /nfs/dbraw/zinc/46/44/99/590464499.db2.gz KYRCTNPCZKAUIR-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1conc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000877975567 590464197 /nfs/dbraw/zinc/46/41/97/590464197.db2.gz KYRCTNPCZKAUIR-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1conc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000877976204 590463755 /nfs/dbraw/zinc/46/37/55/590463755.db2.gz UEEPMPZPIDNQRN-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO CC[N@H+](CC[C@H]1CCCC1(F)F)C(C)C ZINC000877983245 590466059 /nfs/dbraw/zinc/46/60/59/590466059.db2.gz HMDWMZFNSIDQIX-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC[N@H+](CC[C@@H]1CCCC1(F)F)C(C)C ZINC000877983246 590466016 /nfs/dbraw/zinc/46/60/16/590466016.db2.gz HMDWMZFNSIDQIX-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO CC[N@H+](Cc1cc(C(F)(F)F)co1)C(C)C ZINC000877984066 590466178 /nfs/dbraw/zinc/46/61/78/590466178.db2.gz XYAZPIYHNSIIKY-UHFFFAOYSA-N 1 0 235.249 3.529 20 0 BHADRO C[N@H+](CC[C@H]1CCCC1(F)F)Cc1ccoc1 ZINC000877988898 590466972 /nfs/dbraw/zinc/46/69/72/590466972.db2.gz PRPCSNBOUJBRHT-GFCCVEGCSA-N 1 0 243.297 3.537 20 0 BHADRO C[N@H+](CC[C@@H]1CCCC1(F)F)Cc1ccoc1 ZINC000877988899 590466862 /nfs/dbraw/zinc/46/68/62/590466862.db2.gz PRPCSNBOUJBRHT-LBPRGKRZSA-N 1 0 243.297 3.537 20 0 BHADRO CC[N@H+](Cc1scnc1Cl)[C@H](C)C(C)C ZINC000878001419 590468581 /nfs/dbraw/zinc/46/85/81/590468581.db2.gz XWCBLPVRERXKLX-SECBINFHSA-N 1 0 246.807 3.663 20 0 BHADRO CC[N@H+](Cc1scnc1Cl)[C@@H](C)C(C)C ZINC000878001421 590468935 /nfs/dbraw/zinc/46/89/35/590468935.db2.gz XWCBLPVRERXKLX-VIFPVBQESA-N 1 0 246.807 3.663 20 0 BHADRO C=C/C=C\CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000878020267 590472801 /nfs/dbraw/zinc/47/28/01/590472801.db2.gz JRHQIJIDBOZKCJ-ARJAWSKDSA-N 1 0 249.398 3.542 20 0 BHADRO C=C/C=C/CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000878020269 590472823 /nfs/dbraw/zinc/47/28/23/590472823.db2.gz JRHQIJIDBOZKCJ-ONEGZZNKSA-N 1 0 249.398 3.542 20 0 BHADRO Cc1conc1C[N@@H+](C)C1CCCCCCC1 ZINC000878020590 590472793 /nfs/dbraw/zinc/47/27/93/590472793.db2.gz RWGLMEXGYUVCPE-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1conc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000878035858 590476670 /nfs/dbraw/zinc/47/66/70/590476670.db2.gz AVXUSPLDVYBPIK-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1conc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000878046273 590480288 /nfs/dbraw/zinc/48/02/88/590480288.db2.gz VGYPSFOYEHJNCS-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1scnc1Cl ZINC000878087851 590490881 /nfs/dbraw/zinc/49/08/81/590490881.db2.gz ABSDEYHZOFCKKL-DTORHVGOSA-N 1 0 244.791 3.559 20 0 BHADRO C[C@H]1CCC[C@H](C)[NH+]1Cc1scnc1Cl ZINC000878087852 590490933 /nfs/dbraw/zinc/49/09/33/590490933.db2.gz ABSDEYHZOFCKKL-IUCAKERBSA-N 1 0 244.791 3.559 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1scnc1Cl ZINC000878087853 590490621 /nfs/dbraw/zinc/49/06/21/590490621.db2.gz ABSDEYHZOFCKKL-RKDXNWHRSA-N 1 0 244.791 3.559 20 0 BHADRO Cc1conc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000878097623 590492393 /nfs/dbraw/zinc/49/23/93/590492393.db2.gz JNZPXVSRXLZALZ-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO C[C@@H]1CCCCC[N@@H+]1Cc1scnc1Cl ZINC000878107247 590496384 /nfs/dbraw/zinc/49/63/84/590496384.db2.gz VYEXNVRSSSXCSI-SECBINFHSA-N 1 0 244.791 3.561 20 0 BHADRO C[C@H]1CCCCC[N@@H+]1Cc1scnc1Cl ZINC000878107248 590495898 /nfs/dbraw/zinc/49/58/98/590495898.db2.gz VYEXNVRSSSXCSI-VIFPVBQESA-N 1 0 244.791 3.561 20 0 BHADRO CC[N@H+](CC[C@H]1CCCC1(F)F)C1CCC1 ZINC000878116385 590498252 /nfs/dbraw/zinc/49/82/52/590498252.db2.gz NAYKKLACSJWLDQ-LLVKDONJSA-N 1 0 231.330 3.686 20 0 BHADRO CC[N@H+](CC[C@@H]1CCCC1(F)F)C1CCC1 ZINC000878116386 590498341 /nfs/dbraw/zinc/49/83/41/590498341.db2.gz NAYKKLACSJWLDQ-NSHDSACASA-N 1 0 231.330 3.686 20 0 BHADRO CC[N@H+](Cc1cc(C(F)(F)F)co1)C1CCC1 ZINC000878116417 590497773 /nfs/dbraw/zinc/49/77/73/590497773.db2.gz OBFHMDMUXHYEGV-UHFFFAOYSA-N 1 0 247.260 3.673 20 0 BHADRO C=C/C=C\CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000878178244 590515970 /nfs/dbraw/zinc/51/59/70/590515970.db2.gz LHQCRYMHLAKFQK-ARJAWSKDSA-N 1 0 247.304 3.783 20 0 BHADRO C=C/C=C/CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000878178353 590516069 /nfs/dbraw/zinc/51/60/69/590516069.db2.gz LHQCRYMHLAKFQK-ONEGZZNKSA-N 1 0 247.304 3.783 20 0 BHADRO FC(F)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878197915 590523053 /nfs/dbraw/zinc/52/30/53/590523053.db2.gz LDNJCZGMDUYXRM-UHFFFAOYSA-N 1 0 243.341 3.544 20 0 BHADRO C=C/C=C/CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000878198692 590522947 /nfs/dbraw/zinc/52/29/47/590522947.db2.gz PNTCGWFTLROBMC-APHBUQMISA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C\CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000878198693 590522802 /nfs/dbraw/zinc/52/28/02/590522802.db2.gz PNTCGWFTLROBMC-AWFCHZOYSA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C/CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000878198694 590522741 /nfs/dbraw/zinc/52/27/41/590522741.db2.gz PNTCGWFTLROBMC-DWTRPJMMSA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C\CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000878198695 590522607 /nfs/dbraw/zinc/52/26/07/590522607.db2.gz PNTCGWFTLROBMC-YIEVGGLXSA-N 1 0 242.366 3.659 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC000878200608 583366881 /nfs/dbraw/zinc/36/68/81/583366881.db2.gz SJYAFFWKCOEJFT-CYBMUJFWSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC000878200609 583367615 /nfs/dbraw/zinc/36/76/15/583367615.db2.gz SJYAFFWKCOEJFT-ZDUSSCGKSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1conc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000878229982 590527566 /nfs/dbraw/zinc/52/75/66/590527566.db2.gz BZJMDCSUYYFPEC-UHFFFAOYSA-N 1 0 236.359 3.526 20 0 BHADRO C=C/C=C\CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242245 590528680 /nfs/dbraw/zinc/52/86/80/590528680.db2.gz IJVHNJMWSKLFKA-CFHLNLSMSA-N 1 0 231.339 3.517 20 0 BHADRO C=C/C=C/CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242246 590528408 /nfs/dbraw/zinc/52/84/08/590528408.db2.gz IJVHNJMWSKLFKA-GFUIURDCSA-N 1 0 231.339 3.517 20 0 BHADRO C=C/C=C\CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242247 590528794 /nfs/dbraw/zinc/52/87/94/590528794.db2.gz IJVHNJMWSKLFKA-SZZPACECSA-N 1 0 231.339 3.517 20 0 BHADRO C=C/C=C/CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242248 590527917 /nfs/dbraw/zinc/52/79/17/590527917.db2.gz IJVHNJMWSKLFKA-URWSZGRFSA-N 1 0 231.339 3.517 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000878247593 590528850 /nfs/dbraw/zinc/52/88/50/590528850.db2.gz BOUDTWLKQAOQTI-IDTUSYRASA-N 1 0 244.382 3.809 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000878247594 590528283 /nfs/dbraw/zinc/52/82/83/590528283.db2.gz BOUDTWLKQAOQTI-LFAOLKIESA-N 1 0 244.382 3.809 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000878247595 590528383 /nfs/dbraw/zinc/52/83/83/590528383.db2.gz BOUDTWLKQAOQTI-LQYUOIDQSA-N 1 0 244.382 3.809 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000878247596 590528407 /nfs/dbraw/zinc/52/84/07/590528407.db2.gz BOUDTWLKQAOQTI-XHPSBEMXSA-N 1 0 244.382 3.809 20 0 BHADRO CC[C@@](C)([NH2+]CCCC1CC1)c1nccs1 ZINC000878255509 590529897 /nfs/dbraw/zinc/52/98/97/590529897.db2.gz QSACULCXWRFLTB-CYBMUJFWSA-N 1 0 238.400 3.548 20 0 BHADRO CC[C@](C)([NH2+]CCCC1CC1)c1nccs1 ZINC000878255510 590529326 /nfs/dbraw/zinc/52/93/26/590529326.db2.gz QSACULCXWRFLTB-ZDUSSCGKSA-N 1 0 238.400 3.548 20 0 BHADRO C=C/C=C\CC[NH2+]C1(c2nccs2)CCCC1 ZINC000878261123 590530547 /nfs/dbraw/zinc/53/05/47/590530547.db2.gz GRZZHUGJGJLLHZ-ARJAWSKDSA-N 1 0 248.395 3.634 20 0 BHADRO C=C/C=C/CC[NH2+]C1(c2nccs2)CCCC1 ZINC000878261125 590530856 /nfs/dbraw/zinc/53/08/56/590530856.db2.gz GRZZHUGJGJLLHZ-ONEGZZNKSA-N 1 0 248.395 3.634 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878312901 590540545 /nfs/dbraw/zinc/54/05/45/590540545.db2.gz CHSDTPKZJQTZHE-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878312902 590541230 /nfs/dbraw/zinc/54/12/30/590541230.db2.gz CHSDTPKZJQTZHE-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878313973 590541066 /nfs/dbraw/zinc/54/10/66/590541066.db2.gz OKAQJWIYLUKEQI-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878313974 590540502 /nfs/dbraw/zinc/54/05/02/590540502.db2.gz OKAQJWIYLUKEQI-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878314161 590540541 /nfs/dbraw/zinc/54/05/41/590540541.db2.gz QGRPVJYYHXLLEN-CYBMUJFWSA-N 1 0 244.382 3.655 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CC1CC2(CCC2)C1 ZINC000878314162 590540907 /nfs/dbraw/zinc/54/09/07/590540907.db2.gz QGRPVJYYHXLLEN-ZDUSSCGKSA-N 1 0 244.382 3.655 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)CCCC1CC1 ZINC000878317244 590543009 /nfs/dbraw/zinc/54/30/09/590543009.db2.gz OSIRBMXIQUYITI-HNNXBMFYSA-N 1 0 232.371 3.655 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)CCCC1CC1 ZINC000878317245 590542797 /nfs/dbraw/zinc/54/27/97/590542797.db2.gz OSIRBMXIQUYITI-OAHLLOKOSA-N 1 0 232.371 3.655 20 0 BHADRO C=C/C=C\CC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000878318119 590544436 /nfs/dbraw/zinc/54/44/36/590544436.db2.gz URIHJSCXGVVFCF-IDTUSYRASA-N 1 0 230.355 3.597 20 0 BHADRO C=C/C=C/CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000878318122 590543989 /nfs/dbraw/zinc/54/39/89/590543989.db2.gz URIHJSCXGVVFCF-LFAOLKIESA-N 1 0 230.355 3.597 20 0 BHADRO C=C/C=C/CC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000878318124 590543945 /nfs/dbraw/zinc/54/39/45/590543945.db2.gz URIHJSCXGVVFCF-LQYUOIDQSA-N 1 0 230.355 3.597 20 0 BHADRO C=C/C=C\CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000878318126 590543913 /nfs/dbraw/zinc/54/39/13/590543913.db2.gz URIHJSCXGVVFCF-XHPSBEMXSA-N 1 0 230.355 3.597 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1scnc1Cl ZINC000878339986 590551257 /nfs/dbraw/zinc/55/12/57/590551257.db2.gz HEHMVRLDUFPIJT-BDAKNGLRSA-N 1 0 244.791 3.559 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1scnc1Cl ZINC000878339988 590550949 /nfs/dbraw/zinc/55/09/49/590550949.db2.gz HEHMVRLDUFPIJT-DTWKUNHWSA-N 1 0 244.791 3.559 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1scnc1Cl ZINC000878339989 590551218 /nfs/dbraw/zinc/55/12/18/590551218.db2.gz HEHMVRLDUFPIJT-IUCAKERBSA-N 1 0 244.791 3.559 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1scnc1Cl ZINC000878339991 590550901 /nfs/dbraw/zinc/55/09/01/590550901.db2.gz HEHMVRLDUFPIJT-RKDXNWHRSA-N 1 0 244.791 3.559 20 0 BHADRO Cc1ccc(C[NH+](C(C)C)C(C)C)nc1Cl ZINC000878341142 590552418 /nfs/dbraw/zinc/55/24/18/590552418.db2.gz XXXITOHQNQVBFJ-UHFFFAOYSA-N 1 0 240.778 3.662 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000878364877 590554544 /nfs/dbraw/zinc/55/45/44/590554544.db2.gz JYSROIRJGCLTNA-IYKSTZQJSA-N 1 0 230.355 3.501 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000878364879 590554739 /nfs/dbraw/zinc/55/47/39/590554739.db2.gz JYSROIRJGCLTNA-LLYBFZRZSA-N 1 0 230.355 3.501 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1ccccn1)C(C)C ZINC000878364880 590554463 /nfs/dbraw/zinc/55/44/63/590554463.db2.gz JYSROIRJGCLTNA-NFAHFFEMSA-N 1 0 230.355 3.501 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1ccccn1)C(C)C ZINC000878364882 590554757 /nfs/dbraw/zinc/55/47/57/590554757.db2.gz JYSROIRJGCLTNA-YVACAVLKSA-N 1 0 230.355 3.501 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC000878365564 590554937 /nfs/dbraw/zinc/55/49/37/590554937.db2.gz YKPKMDOUQZLNAS-JTQLQIEISA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC000878365565 590554618 /nfs/dbraw/zinc/55/46/18/590554618.db2.gz YKPKMDOUQZLNAS-SNVBAGLBSA-N 1 0 248.370 3.522 20 0 BHADRO CC(C)C([NH2+]Cc1scnc1Cl)C(C)C ZINC000878378130 590556891 /nfs/dbraw/zinc/55/68/91/590556891.db2.gz KJHNBQLWAWEKQV-UHFFFAOYSA-N 1 0 246.807 3.567 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000878379495 590557094 /nfs/dbraw/zinc/55/70/94/590557094.db2.gz UTPCFEUYALXMNN-DSYXLKISSA-N 1 0 248.395 3.625 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000878379496 590556779 /nfs/dbraw/zinc/55/67/79/590556779.db2.gz UTPCFEUYALXMNN-IHVVCDCBSA-N 1 0 248.395 3.625 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000878379497 590556558 /nfs/dbraw/zinc/55/65/58/590556558.db2.gz UTPCFEUYALXMNN-MUBLQREKSA-N 1 0 248.395 3.625 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000878379498 590556568 /nfs/dbraw/zinc/55/65/68/590556568.db2.gz UTPCFEUYALXMNN-ZFDPJTLLSA-N 1 0 248.395 3.625 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC000878403252 590560453 /nfs/dbraw/zinc/56/04/53/590560453.db2.gz NPXGAUFQVDLLOM-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC000878403254 590560628 /nfs/dbraw/zinc/56/06/28/590560628.db2.gz NPXGAUFQVDLLOM-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+]C(C1CC1)C1CC1 ZINC000878407769 590561776 /nfs/dbraw/zinc/56/17/76/590561776.db2.gz APNWYSCPNIJEST-GFCCVEGCSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+]C(C1CC1)C1CC1 ZINC000878407770 590561148 /nfs/dbraw/zinc/56/11/48/590561148.db2.gz APNWYSCPNIJEST-LBPRGKRZSA-N 1 0 243.341 3.590 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1nc(C)cs1 ZINC000878409040 590562035 /nfs/dbraw/zinc/56/20/35/590562035.db2.gz XZBYIXGBIICYSV-GFCCVEGCSA-N 1 0 238.400 3.682 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1nc(C)cs1 ZINC000878409042 590562021 /nfs/dbraw/zinc/56/20/21/590562021.db2.gz XZBYIXGBIICYSV-LBPRGKRZSA-N 1 0 238.400 3.682 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccco1 ZINC000878415473 590563007 /nfs/dbraw/zinc/56/30/07/590563007.db2.gz UPSUEUUVESFSSI-GHMZBOCLSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000878415475 590563128 /nfs/dbraw/zinc/56/31/28/590563128.db2.gz UPSUEUUVESFSSI-MNOVXSKESA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000878415478 590562876 /nfs/dbraw/zinc/56/28/76/590562876.db2.gz UPSUEUUVESFSSI-QWRGUYRKSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccco1 ZINC000878415479 590562905 /nfs/dbraw/zinc/56/29/05/590562905.db2.gz UPSUEUUVESFSSI-WDEREUQCSA-N 1 0 243.297 3.756 20 0 BHADRO CC[C@@H]([NH2+]CCCC1CC1)c1c(C)noc1C ZINC000878415545 590562642 /nfs/dbraw/zinc/56/26/42/590562642.db2.gz XZAWKQKPRASWKW-CYBMUJFWSA-N 1 0 236.359 3.522 20 0 BHADRO CC[C@H]([NH2+]CCCC1CC1)c1c(C)noc1C ZINC000878415546 590562657 /nfs/dbraw/zinc/56/26/57/590562657.db2.gz XZAWKQKPRASWKW-ZDUSSCGKSA-N 1 0 236.359 3.522 20 0 BHADRO C=C/C=C\CC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000878418023 590563316 /nfs/dbraw/zinc/56/33/16/590563316.db2.gz UJMBJJVZAMDFAC-PLNGDYQASA-N 1 0 248.395 3.553 20 0 BHADRO C=C/C=C/CC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000878418024 590563393 /nfs/dbraw/zinc/56/33/93/590563393.db2.gz UJMBJJVZAMDFAC-SNAWJCMRSA-N 1 0 248.395 3.553 20 0 BHADRO CCc1nc([C@H](C)[NH2+]CCCC2CC2)cs1 ZINC000878418253 590563458 /nfs/dbraw/zinc/56/34/58/590563458.db2.gz KEHIMLPBVRJWSO-JTQLQIEISA-N 1 0 238.400 3.546 20 0 BHADRO CCc1nc([C@@H](C)[NH2+]CCCC2CC2)cs1 ZINC000878418254 590563517 /nfs/dbraw/zinc/56/35/17/590563517.db2.gz KEHIMLPBVRJWSO-SNVBAGLBSA-N 1 0 238.400 3.546 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccoc1 ZINC000878423521 645814297 /nfs/dbraw/zinc/81/42/97/645814297.db2.gz RQSRJQJVGYGHNX-CMPLNLGQSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccoc1 ZINC000878423523 645812662 /nfs/dbraw/zinc/81/26/62/645812662.db2.gz RQSRJQJVGYGHNX-JQWIXIFHSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccoc1 ZINC000878423525 645813558 /nfs/dbraw/zinc/81/35/58/645813558.db2.gz RQSRJQJVGYGHNX-PWSUYJOCSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccoc1 ZINC000878423527 590565120 /nfs/dbraw/zinc/56/51/20/590565120.db2.gz RQSRJQJVGYGHNX-ZYHUDNBSSA-N 1 0 243.297 3.756 20 0 BHADRO C=C/C=C/CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000878428602 590565983 /nfs/dbraw/zinc/56/59/83/590565983.db2.gz PPMPUVMZAYJITN-ATQQARJTSA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C\CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000878428604 590566437 /nfs/dbraw/zinc/56/64/37/590566437.db2.gz PPMPUVMZAYJITN-PJFORWJISA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C\CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000878428606 590566181 /nfs/dbraw/zinc/56/61/81/590566181.db2.gz PPMPUVMZAYJITN-RCELQXLSSA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C/CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000878428608 590566111 /nfs/dbraw/zinc/56/61/11/590566111.db2.gz PPMPUVMZAYJITN-SBAHZNLJSA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C/CC[N@H+]1CCC[C@@H]1c1csc(C)n1 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ZINC000879010070 590676967 /nfs/dbraw/zinc/67/69/67/590676967.db2.gz PEEFNNVKHIUROM-LLYBFZRZSA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C/CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010071 590677041 /nfs/dbraw/zinc/67/70/41/590677041.db2.gz PEEFNNVKHIUROM-NFAHFFEMSA-N 1 0 242.366 3.597 20 0 BHADRO C=C/C=C\CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010072 590676362 /nfs/dbraw/zinc/67/63/62/590676362.db2.gz PEEFNNVKHIUROM-YVACAVLKSA-N 1 0 242.366 3.597 20 0 BHADRO c1ccc([C@@H]([NH2+]CCCC2CC2)C2CCC2)nc1 ZINC000879034578 590682471 /nfs/dbraw/zinc/68/24/71/590682471.db2.gz HLUJQFYWCREUGO-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CCCC2CC2)C2CCC2)nc1 ZINC000879034579 590682186 /nfs/dbraw/zinc/68/21/86/590682186.db2.gz HLUJQFYWCREUGO-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000879034904 590681979 /nfs/dbraw/zinc/68/19/79/590681979.db2.gz MXIRPPOYESRAFH-CWDCEQMOSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000879034905 590683067 /nfs/dbraw/zinc/68/30/67/590683067.db2.gz MXIRPPOYESRAFH-MJSXRHKHSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000879034906 590682338 /nfs/dbraw/zinc/68/23/38/590682338.db2.gz MXIRPPOYESRAFH-QDLOVBKTSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000879034907 590682439 /nfs/dbraw/zinc/68/24/39/590682439.db2.gz MXIRPPOYESRAFH-QGZUEGPWSA-N 1 0 242.366 3.645 20 0 BHADRO CC1(F)CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000879383357 590758223 /nfs/dbraw/zinc/75/82/23/590758223.db2.gz JUEULLQBWFPEAM-LLVKDONJSA-N 1 0 249.320 3.636 20 0 BHADRO CC1(F)CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000879383358 590758693 /nfs/dbraw/zinc/75/86/93/590758693.db2.gz JUEULLQBWFPEAM-NSHDSACASA-N 1 0 249.320 3.636 20 0 BHADRO C=C/C=C/CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879472009 590773473 /nfs/dbraw/zinc/77/34/73/590773473.db2.gz MVUYRFGTLLLUNF-CWDCEQMOSA-N 1 0 249.398 3.542 20 0 BHADRO C=C/C=C\CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879472010 590774290 /nfs/dbraw/zinc/77/42/90/590774290.db2.gz MVUYRFGTLLLUNF-MJSXRHKHSA-N 1 0 249.398 3.542 20 0 BHADRO C=C/C=C/CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879472011 590774573 /nfs/dbraw/zinc/77/45/73/590774573.db2.gz MVUYRFGTLLLUNF-QDLOVBKTSA-N 1 0 249.398 3.542 20 0 BHADRO C=C/C=C\CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879472012 590773628 /nfs/dbraw/zinc/77/36/28/590773628.db2.gz MVUYRFGTLLLUNF-QGZUEGPWSA-N 1 0 249.398 3.542 20 0 BHADRO FC(F)(F)CCCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529733 590791520 /nfs/dbraw/zinc/79/15/20/590791520.db2.gz DMDKIEPUBAEJLE-TXEJJXNPSA-N 1 0 247.304 3.617 20 0 BHADRO CC[C@@H](CC(F)F)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530271 590792541 /nfs/dbraw/zinc/79/25/41/590792541.db2.gz AUADGBQXPYERKV-RWMBFGLXSA-N 1 0 243.341 3.566 20 0 BHADRO CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530272 590792731 /nfs/dbraw/zinc/79/27/31/590792731.db2.gz AUADGBQXPYERKV-UPJWGTAASA-N 1 0 243.341 3.566 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000879668982 590845415 /nfs/dbraw/zinc/84/54/15/590845415.db2.gz CYMCDQZTQVXACZ-IJLUTSLNSA-N 1 0 245.288 3.582 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000879668983 590846190 /nfs/dbraw/zinc/84/61/90/590846190.db2.gz CYMCDQZTQVXACZ-QJPTWQEYSA-N 1 0 245.288 3.582 20 0 BHADRO CCCCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669879 590845893 /nfs/dbraw/zinc/84/58/93/590845893.db2.gz YJQBDVAPDZNJIF-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO CC/C=C/CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670954 590845929 /nfs/dbraw/zinc/84/59/29/590845929.db2.gz FYZYQFWESMHTKU-BLDJZWNYSA-N 1 0 247.304 3.829 20 0 BHADRO CC/C=C\CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670955 590846048 /nfs/dbraw/zinc/84/60/48/590846048.db2.gz FYZYQFWESMHTKU-OPVGQWETSA-N 1 0 247.304 3.829 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CC1=CCCC1 ZINC000879671223 590846357 /nfs/dbraw/zinc/84/63/57/590846357.db2.gz AOKKPUYOFPIKRM-VXGBXAGGSA-N 1 0 245.288 3.583 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671562 590846341 /nfs/dbraw/zinc/84/63/41/590846341.db2.gz DTQXYGKMULMWJP-BLDJZWNYSA-N 1 0 245.288 3.605 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671564 590845896 /nfs/dbraw/zinc/84/58/96/590845896.db2.gz DTQXYGKMULMWJP-OPVGQWETSA-N 1 0 245.288 3.605 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CCCC1CC1 ZINC000879671612 590845400 /nfs/dbraw/zinc/84/54/00/590845400.db2.gz FFTKJBVWGDSNCX-VXGBXAGGSA-N 1 0 247.304 3.663 20 0 BHADRO CC1(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CCC1 ZINC000879672990 590846267 /nfs/dbraw/zinc/84/62/67/590846267.db2.gz ZGJVLIGTRUMDLE-GHMZBOCLSA-N 1 0 247.304 3.663 20 0 BHADRO CC(C)=CCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879673443 590846181 /nfs/dbraw/zinc/84/61/81/590846181.db2.gz SWGRXQZCENDYST-VXGBXAGGSA-N 1 0 247.304 3.829 20 0 BHADRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CCC1CCC1 ZINC000879673703 590845758 /nfs/dbraw/zinc/84/57/58/590845758.db2.gz ZGQMXXPMWMVHCC-VXGBXAGGSA-N 1 0 247.304 3.663 20 0 BHADRO CC/C=C/CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879714514 590853322 /nfs/dbraw/zinc/85/33/22/590853322.db2.gz ISYMRHBHGPFILG-ITKZLYELSA-N 1 0 244.338 3.835 20 0 BHADRO CC/C=C\CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879714515 590853433 /nfs/dbraw/zinc/85/34/33/590853433.db2.gz ISYMRHBHGPFILG-QMAVJUDZSA-N 1 0 244.338 3.835 20 0 BHADRO CC/C=C\CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879714516 590853730 /nfs/dbraw/zinc/85/37/30/590853730.db2.gz ISYMRHBHGPFILG-RXNFCKPNSA-N 1 0 244.338 3.835 20 0 BHADRO CC/C=C/CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879714517 590853310 /nfs/dbraw/zinc/85/33/10/590853310.db2.gz ISYMRHBHGPFILG-ZYOFXKKJSA-N 1 0 244.338 3.835 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715462 590853825 /nfs/dbraw/zinc/85/38/25/590853825.db2.gz XCELNQAARGCQBG-ITKZLYELSA-N 1 0 242.322 3.611 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715463 590853721 /nfs/dbraw/zinc/85/37/21/590853721.db2.gz XCELNQAARGCQBG-QMAVJUDZSA-N 1 0 242.322 3.611 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715464 590853626 /nfs/dbraw/zinc/85/36/26/590853626.db2.gz XCELNQAARGCQBG-RXNFCKPNSA-N 1 0 242.322 3.611 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715465 590853475 /nfs/dbraw/zinc/85/34/75/590853475.db2.gz XCELNQAARGCQBG-ZYOFXKKJSA-N 1 0 242.322 3.611 20 0 BHADRO C[N@H+](CCCCCF)Cc1ccc2cc[nH]c2c1 ZINC000879725158 590856808 /nfs/dbraw/zinc/85/68/08/590856808.db2.gz ULJBTOHKNGQYGR-UHFFFAOYSA-N 1 0 248.345 3.740 20 0 BHADRO Cc1cncc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000879747202 590861504 /nfs/dbraw/zinc/86/15/04/590861504.db2.gz KITZEUUFTRLYSU-CVEARBPZSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cncc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000879747203 590860984 /nfs/dbraw/zinc/86/09/84/590860984.db2.gz KITZEUUFTRLYSU-HOTGVXAUSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cncc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000879747204 590861400 /nfs/dbraw/zinc/86/14/00/590861400.db2.gz KITZEUUFTRLYSU-HZPDHXFCSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cncc([C@H]2CCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000879747205 590861139 /nfs/dbraw/zinc/86/11/39/590861139.db2.gz KITZEUUFTRLYSU-JKSUJKDBSA-N 1 0 242.366 3.636 20 0 BHADRO Cc1cncc([C@@H]2CCC[N@H+]2CCC(C)C)c1 ZINC000879749016 590861542 /nfs/dbraw/zinc/86/15/42/590861542.db2.gz RTWVSENCFXGOAX-HNNXBMFYSA-N 1 0 232.371 3.573 20 0 BHADRO Cc1cncc([C@H]2CCC[N@H+]2CCC(C)C)c1 ZINC000879749017 590861274 /nfs/dbraw/zinc/86/12/74/590861274.db2.gz RTWVSENCFXGOAX-OAHLLOKOSA-N 1 0 232.371 3.573 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749632 590862206 /nfs/dbraw/zinc/86/22/06/590862206.db2.gz GMLAVLYVRSYFGQ-DOMZBBRYSA-N 1 0 232.371 3.573 20 0 BHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749633 590862288 /nfs/dbraw/zinc/86/22/88/590862288.db2.gz GMLAVLYVRSYFGQ-IUODEOHRSA-N 1 0 232.371 3.573 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749634 590863274 /nfs/dbraw/zinc/86/32/74/590863274.db2.gz GMLAVLYVRSYFGQ-SWLSCSKDSA-N 1 0 232.371 3.573 20 0 BHADRO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749635 590863313 /nfs/dbraw/zinc/86/33/13/590863313.db2.gz GMLAVLYVRSYFGQ-WFASDCNBSA-N 1 0 232.371 3.573 20 0 BHADRO CCCCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750920 590862259 /nfs/dbraw/zinc/86/22/59/590862259.db2.gz YBAGVGUMQOSAMR-HNNXBMFYSA-N 1 0 232.371 3.717 20 0 BHADRO CCCCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750922 590862899 /nfs/dbraw/zinc/86/28/99/590862899.db2.gz YBAGVGUMQOSAMR-OAHLLOKOSA-N 1 0 232.371 3.717 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879751904 590863501 /nfs/dbraw/zinc/86/35/01/590863501.db2.gz JNFNPDUQOUPJSO-INIZCTEOSA-N 1 0 244.382 3.883 20 0 BHADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879751905 590863120 /nfs/dbraw/zinc/86/31/20/590863120.db2.gz JNFNPDUQOUPJSO-MRXNPFEDSA-N 1 0 244.382 3.883 20 0 BHADRO C=C/C=C/CC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879752696 590862573 /nfs/dbraw/zinc/86/25/73/590862573.db2.gz SZIGHHUZGUPCKJ-APHBUQMISA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C\CC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879752697 590863176 /nfs/dbraw/zinc/86/31/76/590863176.db2.gz SZIGHHUZGUPCKJ-AWFCHZOYSA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C/CC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879752698 590862890 /nfs/dbraw/zinc/86/28/90/590862890.db2.gz SZIGHHUZGUPCKJ-DWTRPJMMSA-N 1 0 242.366 3.659 20 0 BHADRO C=C/C=C\CC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879752699 590865084 /nfs/dbraw/zinc/86/50/84/590865084.db2.gz SZIGHHUZGUPCKJ-YIEVGGLXSA-N 1 0 242.366 3.659 20 0 BHADRO Cc1cncc([C@@H]2CCC[N@@H+]2CC2=CCCC2)c1 ZINC000879752874 590864934 /nfs/dbraw/zinc/86/49/34/590864934.db2.gz VIUWAPVZBWVERY-INIZCTEOSA-N 1 0 242.366 3.637 20 0 BHADRO Cc1cncc([C@H]2CCC[N@@H+]2CC2=CCCC2)c1 ZINC000879752875 590864462 /nfs/dbraw/zinc/86/44/62/590864462.db2.gz VIUWAPVZBWVERY-MRXNPFEDSA-N 1 0 242.366 3.637 20 0 BHADRO Cc1oncc1C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000879789476 590870260 /nfs/dbraw/zinc/87/02/60/590870260.db2.gz APRWQBAASOPXIS-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1oncc1C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000879789477 590869877 /nfs/dbraw/zinc/86/98/77/590869877.db2.gz APRWQBAASOPXIS-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1conc1C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000879790377 590870400 /nfs/dbraw/zinc/87/04/00/590870400.db2.gz WSMSFKXXLIUPNC-HNNXBMFYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1conc1C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000879790378 590870381 /nfs/dbraw/zinc/87/03/81/590870381.db2.gz WSMSFKXXLIUPNC-OAHLLOKOSA-N 1 0 248.370 3.528 20 0 BHADRO CCC1(CC)CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000880093959 590923636 /nfs/dbraw/zinc/92/36/36/590923636.db2.gz QQOBNTREJDFGRU-UHFFFAOYSA-N 1 0 248.370 3.707 20 0 BHADRO CCC1(CC)CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000880094163 590924353 /nfs/dbraw/zinc/92/43/53/590924353.db2.gz VMIMFDUTOQIPFV-UHFFFAOYSA-N 1 0 248.370 3.707 20 0 BHADRO CCC1(CC)CCC[N@@H+]1Cc1scnc1C ZINC000880094567 590925138 /nfs/dbraw/zinc/92/51/38/590925138.db2.gz LPVVMPYICKNANG-UHFFFAOYSA-N 1 0 238.400 3.606 20 0 BHADRO CCC1(CC)CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000880094973 590924266 /nfs/dbraw/zinc/92/42/66/590924266.db2.gz TUYFJMHEYQYAKG-UHFFFAOYSA-N 1 0 248.370 3.707 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880097567 590926557 /nfs/dbraw/zinc/92/65/57/590926557.db2.gz VPDWYLYIAZUAPN-SECBINFHSA-N 1 0 246.276 3.551 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102071 590926348 /nfs/dbraw/zinc/92/63/48/590926348.db2.gz VPDWYLYIAZUAPN-VIFPVBQESA-N 1 0 246.276 3.551 20 0 BHADRO CCC[C@@H](C)CCC[NH2+][C@H](C)c1nccnc1C ZINC000880109497 590927277 /nfs/dbraw/zinc/92/72/77/590927277.db2.gz YFANBKITDGHRSQ-CHWSQXEVSA-N 1 0 249.402 3.652 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000880109774 590927700 /nfs/dbraw/zinc/92/77/00/590927700.db2.gz HPUQOFLQLRCEQK-AAEUAGOBSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C)CC(C)(C)C ZINC000880109775 590927315 /nfs/dbraw/zinc/92/73/15/590927315.db2.gz HPUQOFLQLRCEQK-DGCLKSJQSA-N 1 0 249.402 3.508 20 0 BHADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000880109776 590927680 /nfs/dbraw/zinc/92/76/80/590927680.db2.gz HPUQOFLQLRCEQK-WCQYABFASA-N 1 0 249.402 3.508 20 0 BHADRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](C)CC(C)(C)C ZINC000880109777 590927429 /nfs/dbraw/zinc/92/74/29/590927429.db2.gz HPUQOFLQLRCEQK-YPMHNXCESA-N 1 0 249.402 3.508 20 0 BHADRO FC(F)c1cccc(C[NH+]2CCC(F)CC2)c1 ZINC000880239618 590972659 /nfs/dbraw/zinc/97/26/59/590972659.db2.gz OBYLREYQTCNZGS-UHFFFAOYSA-N 1 0 243.272 3.558 20 0 BHADRO FC(F)c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000880240215 590974511 /nfs/dbraw/zinc/97/45/11/590974511.db2.gz PWIWTRGQHGLKKQ-UHFFFAOYSA-N 1 0 243.272 3.558 20 0 BHADRO CCCCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318135 591003510 /nfs/dbraw/zinc/00/35/10/591003510.db2.gz VRKLYNZQFNKMKP-GFCCVEGCSA-N 1 0 238.400 3.513 20 0 BHADRO CCCCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318136 591004601 /nfs/dbraw/zinc/00/46/01/591004601.db2.gz VRKLYNZQFNKMKP-LBPRGKRZSA-N 1 0 238.400 3.513 20 0 BHADRO C[C@@H]1c2sccc2CC[N@H+]1CCC(F)(F)F ZINC000880376896 583530432 /nfs/dbraw/zinc/53/04/32/583530432.db2.gz LEHRPGIEDGIBBN-MRVPVSSYSA-N 1 0 249.301 3.620 20 0 BHADRO C[C@H]1c2sccc2CC[N@H+]1CCC(F)(F)F ZINC000880376897 583530682 /nfs/dbraw/zinc/53/06/82/583530682.db2.gz LEHRPGIEDGIBBN-QMMMGPOBSA-N 1 0 249.301 3.620 20 0 BHADRO FCCCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536503 591086384 /nfs/dbraw/zinc/08/63/84/591086384.db2.gz MFMNDIXYRKQDOP-WFASDCNBSA-N 1 0 233.330 3.670 20 0 BHADRO CSCCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537996 645836782 /nfs/dbraw/zinc/83/67/82/645836782.db2.gz ICZSTPWFKZXVJC-WFASDCNBSA-N 1 0 247.407 3.674 20 0 BHADRO CC(C)c1c[nH]c(C[NH2+]CCC2=CCCCC2)n1 ZINC000882877294 591460663 /nfs/dbraw/zinc/46/06/63/591460663.db2.gz IZROOEADEIVQRL-UHFFFAOYSA-N 1 0 247.386 3.513 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882878950 591460250 /nfs/dbraw/zinc/46/02/50/591460250.db2.gz ZVGUTXASYDMHJC-GFCCVEGCSA-N 1 0 237.391 3.592 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882878951 591459984 /nfs/dbraw/zinc/45/99/84/591459984.db2.gz ZVGUTXASYDMHJC-LBPRGKRZSA-N 1 0 237.391 3.592 20 0 BHADRO CC(C)c1c[nH]c(C[NH2+][C@H](C)C2CCCCC2)n1 ZINC000883016530 591515389 /nfs/dbraw/zinc/51/53/89/591515389.db2.gz CMALRTOTHIGBKU-GFCCVEGCSA-N 1 0 249.402 3.592 20 0 BHADRO CC(C)c1c[nH]c(C[NH2+][C@@H](C)C2CCCCC2)n1 ZINC000883016531 591515967 /nfs/dbraw/zinc/51/59/67/591515967.db2.gz CMALRTOTHIGBKU-LBPRGKRZSA-N 1 0 249.402 3.592 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883017900 591515758 /nfs/dbraw/zinc/51/57/58/591515758.db2.gz GKJHZOIWUBCXOH-UHFFFAOYSA-N 1 0 237.391 3.592 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883133219 591546809 /nfs/dbraw/zinc/54/68/09/591546809.db2.gz SKRUVYZEIIMUIT-CYBMUJFWSA-N 1 0 249.402 3.758 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883133220 591546855 /nfs/dbraw/zinc/54/68/55/591546855.db2.gz SKRUVYZEIIMUIT-ZDUSSCGKSA-N 1 0 249.402 3.758 20 0 BHADRO CC[C@@H]([NH2+]Cc1nc(C(C)C)c[nH]1)C1CCCC1 ZINC000883137737 591548875 /nfs/dbraw/zinc/54/88/75/591548875.db2.gz LJDKICHORBMGJU-CYBMUJFWSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@H]([NH2+]Cc1nc(C(C)C)c[nH]1)C1CCCC1 ZINC000883137738 591549015 /nfs/dbraw/zinc/54/90/15/591549015.db2.gz LJDKICHORBMGJU-ZDUSSCGKSA-N 1 0 249.402 3.592 20 0 BHADRO CC[C@@H]([NH2+]C1CC1)c1sccc1Cl ZINC000883164528 591557161 /nfs/dbraw/zinc/55/71/61/591557161.db2.gz IHKZKPKLZXNPHT-SECBINFHSA-N 1 0 215.749 3.605 20 0 BHADRO CC[C@H]([NH2+]C1CC1)c1sccc1Cl ZINC000883164529 591556768 /nfs/dbraw/zinc/55/67/68/591556768.db2.gz IHKZKPKLZXNPHT-VIFPVBQESA-N 1 0 215.749 3.605 20 0 BHADRO CC(C)c1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)on1 ZINC000883189310 591567002 /nfs/dbraw/zinc/56/70/02/591567002.db2.gz DKAWEFJKCAGSOV-GFCCVEGCSA-N 1 0 248.370 3.610 20 0 BHADRO CC(C)c1cc(C[NH2+][C@H]2CCCC3(CC3)C2)on1 ZINC000883189311 591566358 /nfs/dbraw/zinc/56/63/58/591566358.db2.gz DKAWEFJKCAGSOV-LBPRGKRZSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccncc1 ZINC000883192005 591568477 /nfs/dbraw/zinc/56/84/77/591568477.db2.gz OXVOKEDRDYFHAO-CABCVRRESA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccncc1 ZINC000883192006 591568350 /nfs/dbraw/zinc/56/83/50/591568350.db2.gz OXVOKEDRDYFHAO-GJZGRUSLSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccncc1 ZINC000883192007 591568245 /nfs/dbraw/zinc/56/82/45/591568245.db2.gz OXVOKEDRDYFHAO-HUUCEWRRSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccncc1 ZINC000883192008 591567928 /nfs/dbraw/zinc/56/79/28/591567928.db2.gz OXVOKEDRDYFHAO-LSDHHAIUSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883199743 591570789 /nfs/dbraw/zinc/57/07/89/591570789.db2.gz NYVCKTMKLZHBCP-KBPBESRZSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883199744 591570330 /nfs/dbraw/zinc/57/03/30/591570330.db2.gz NYVCKTMKLZHBCP-KGLIPLIRSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883199745 591570078 /nfs/dbraw/zinc/57/00/78/591570078.db2.gz NYVCKTMKLZHBCP-UONOGXRCSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883199746 591570653 /nfs/dbraw/zinc/57/06/53/591570653.db2.gz NYVCKTMKLZHBCP-ZIAGYGMSSA-N 1 0 244.382 3.763 20 0 BHADRO CC[C@@H]([NH2+]CCCF)c1sccc1Cl ZINC000883207501 591572466 /nfs/dbraw/zinc/57/24/66/591572466.db2.gz NSTWUPWCOAXIEK-SECBINFHSA-N 1 0 235.755 3.802 20 0 BHADRO CC[C@H]([NH2+]CCCF)c1sccc1Cl ZINC000883207502 591572829 /nfs/dbraw/zinc/57/28/29/591572829.db2.gz NSTWUPWCOAXIEK-VIFPVBQESA-N 1 0 235.755 3.802 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883222595 591577772 /nfs/dbraw/zinc/57/77/72/591577772.db2.gz WNHVNTZZINGXJW-JTQLQIEISA-N 1 0 247.304 3.641 20 0 BHADRO FC(F)(F)C1(C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883222596 591577660 /nfs/dbraw/zinc/57/76/60/591577660.db2.gz WNHVNTZZINGXJW-SNVBAGLBSA-N 1 0 247.304 3.641 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883227887 591579187 /nfs/dbraw/zinc/57/91/87/591579187.db2.gz AJVSIVHCXLIJLC-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC(CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883227888 591579312 /nfs/dbraw/zinc/57/93/12/591579312.db2.gz AJVSIVHCXLIJLC-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO Cc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)cc(C)n1 ZINC000883229599 591580673 /nfs/dbraw/zinc/58/06/73/591580673.db2.gz NIVBFQDVOKNMPR-HNNXBMFYSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)cc(C)n1 ZINC000883229600 591579643 /nfs/dbraw/zinc/57/96/43/591579643.db2.gz NIVBFQDVOKNMPR-OAHLLOKOSA-N 1 0 244.382 3.511 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1sccc1Cl ZINC000883230664 591580155 /nfs/dbraw/zinc/58/01/55/591580155.db2.gz NBRZSUWRRRTUQD-NXEZZACHSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@H]([NH2+][C@H]1CC12CC2)c1sccc1Cl ZINC000883230665 591580343 /nfs/dbraw/zinc/58/03/43/591580343.db2.gz NBRZSUWRRRTUQD-UWVGGRQHSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1sccc1Cl ZINC000883230666 591580290 /nfs/dbraw/zinc/58/02/90/591580290.db2.gz NBRZSUWRRRTUQD-VHSXEESVSA-N 1 0 241.787 3.995 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1sccc1Cl ZINC000883230667 591580393 /nfs/dbraw/zinc/58/03/93/591580393.db2.gz NBRZSUWRRRTUQD-ZJUUUORDSA-N 1 0 241.787 3.995 20 0 BHADRO CC1(C)[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1(F)F ZINC000883235380 636185633 /nfs/dbraw/zinc/18/56/33/636185633.db2.gz AZOKYFXTDBVNGH-WDEREUQCSA-N 1 0 243.341 3.590 20 0 BHADRO CCSc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000883235621 591582219 /nfs/dbraw/zinc/58/22/19/591582219.db2.gz HIHHAZFUDLFRJZ-UHFFFAOYSA-N 1 0 247.363 3.681 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2CCCC3(CC3)C2)CC1(F)F ZINC000883236104 591582989 /nfs/dbraw/zinc/58/29/89/591582989.db2.gz RFOZFFWLWQGMOU-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@H]2CCCC3(CC3)C2)CC1(F)F ZINC000883236105 591582632 /nfs/dbraw/zinc/58/26/32/591582632.db2.gz RFOZFFWLWQGMOU-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+][C@H]2CCCC3(CC3)C2)CC1(F)F ZINC000883236106 591582396 /nfs/dbraw/zinc/58/23/96/591582396.db2.gz RFOZFFWLWQGMOU-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2CCCC3(CC3)C2)CC1(F)F ZINC000883236107 591582906 /nfs/dbraw/zinc/58/29/06/591582906.db2.gz RFOZFFWLWQGMOU-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO c1coc(CCC[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000883236391 591582271 /nfs/dbraw/zinc/58/22/71/591582271.db2.gz ALNFJIZZYYTQTH-CYBMUJFWSA-N 1 0 233.355 3.525 20 0 BHADRO c1coc(CCC[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000883236392 591582949 /nfs/dbraw/zinc/58/29/49/591582949.db2.gz ALNFJIZZYYTQTH-ZDUSSCGKSA-N 1 0 233.355 3.525 20 0 BHADRO CCSc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000883237046 591582832 /nfs/dbraw/zinc/58/28/32/591582832.db2.gz QILJXNVFWBQYPE-UHFFFAOYSA-N 1 0 247.363 3.681 20 0 BHADRO CSc1ccc(C[NH2+]C[C@H]2C=CCC2)s1 ZINC000883237476 591583574 /nfs/dbraw/zinc/58/35/74/591583574.db2.gz CGBZBDICMJCMAH-JTQLQIEISA-N 1 0 239.409 3.526 20 0 BHADRO CSc1ccc(C[NH2+]C[C@@H]2C=CCC2)s1 ZINC000883237477 591584029 /nfs/dbraw/zinc/58/40/29/591584029.db2.gz CGBZBDICMJCMAH-SNVBAGLBSA-N 1 0 239.409 3.526 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C=CCC1 ZINC000883245444 591586072 /nfs/dbraw/zinc/58/60/72/591586072.db2.gz LUBNHUVNZZRBKI-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C=CCC1 ZINC000883245445 591586184 /nfs/dbraw/zinc/58/61/84/591586184.db2.gz LUBNHUVNZZRBKI-MNOVXSKESA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C=CCC1 ZINC000883245446 591585593 /nfs/dbraw/zinc/58/55/93/591585593.db2.gz LUBNHUVNZZRBKI-QWRGUYRKSA-N 1 0 235.293 3.663 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C=CCC1 ZINC000883245447 591585582 /nfs/dbraw/zinc/58/55/82/591585582.db2.gz LUBNHUVNZZRBKI-WDEREUQCSA-N 1 0 235.293 3.663 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccncc1 ZINC000883245701 591586927 /nfs/dbraw/zinc/58/69/27/591586927.db2.gz PZHAOOBNQBNSRC-GDBMZVCRSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccncc1 ZINC000883245702 591586962 /nfs/dbraw/zinc/58/69/62/591586962.db2.gz PZHAOOBNQBNSRC-GOEBONIOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccncc1 ZINC000883245703 591587202 /nfs/dbraw/zinc/58/72/02/591587202.db2.gz PZHAOOBNQBNSRC-HOCLYGCPSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccncc1 ZINC000883245704 591586906 /nfs/dbraw/zinc/58/69/06/591586906.db2.gz PZHAOOBNQBNSRC-ZBFHGGJFSA-N 1 0 244.382 3.725 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000883245846 591586958 /nfs/dbraw/zinc/58/69/58/591586958.db2.gz TXIATJFZTIUXIZ-NEPJUHHUSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000883245847 591587286 /nfs/dbraw/zinc/58/72/86/591587286.db2.gz TXIATJFZTIUXIZ-NWDGAFQWSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000883245848 591587435 /nfs/dbraw/zinc/58/74/35/591587435.db2.gz TXIATJFZTIUXIZ-RYUDHWBXSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)C1CCC(F)(F)CC1 ZINC000883245849 591587396 /nfs/dbraw/zinc/58/73/96/591587396.db2.gz TXIATJFZTIUXIZ-VXGBXAGGSA-N 1 0 243.341 3.756 20 0 BHADRO CCC[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000883245951 591587274 /nfs/dbraw/zinc/58/72/74/591587274.db2.gz WNHKIOBCNIPWCP-CABCVRRESA-N 1 0 244.382 3.787 20 0 BHADRO CCC[C@H]([NH2+]C[C@H]1C=CCC1)c1cc(C)ccn1 ZINC000883245952 591587370 /nfs/dbraw/zinc/58/73/70/591587370.db2.gz WNHKIOBCNIPWCP-GJZGRUSLSA-N 1 0 244.382 3.787 20 0 BHADRO CCC[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000883245953 591586973 /nfs/dbraw/zinc/58/69/73/591586973.db2.gz WNHKIOBCNIPWCP-HUUCEWRRSA-N 1 0 244.382 3.787 20 0 BHADRO CCC[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc(C)ccn1 ZINC000883245954 591587221 /nfs/dbraw/zinc/58/72/21/591587221.db2.gz WNHKIOBCNIPWCP-LSDHHAIUSA-N 1 0 244.382 3.787 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883246009 591586945 /nfs/dbraw/zinc/58/69/45/591586945.db2.gz XURTTWWSUBYLKB-RFQIPJPRSA-N 1 0 247.407 3.796 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883246010 591586901 /nfs/dbraw/zinc/58/69/01/591586901.db2.gz XURTTWWSUBYLKB-XDQVBPFNSA-N 1 0 247.407 3.796 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883246011 591587266 /nfs/dbraw/zinc/58/72/66/591587266.db2.gz XURTTWWSUBYLKB-YIYPIFLZSA-N 1 0 247.407 3.796 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C=CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000883246012 591587284 /nfs/dbraw/zinc/58/72/84/591587284.db2.gz XURTTWWSUBYLKB-ZOBORPQBSA-N 1 0 247.407 3.796 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccccn1 ZINC000883247123 591588451 /nfs/dbraw/zinc/58/84/51/591588451.db2.gz ZWEQUPBDCUKMEM-GDBMZVCRSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccccn1 ZINC000883247124 591588072 /nfs/dbraw/zinc/58/80/72/591588072.db2.gz ZWEQUPBDCUKMEM-GOEBONIOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccccn1 ZINC000883247125 591588446 /nfs/dbraw/zinc/58/84/46/591588446.db2.gz ZWEQUPBDCUKMEM-HOCLYGCPSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccccn1 ZINC000883247126 591587915 /nfs/dbraw/zinc/58/79/15/591587915.db2.gz ZWEQUPBDCUKMEM-ZBFHGGJFSA-N 1 0 244.382 3.725 20 0 BHADRO FC1(F)CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000883248823 591588047 /nfs/dbraw/zinc/58/80/47/591588047.db2.gz HUGWGVVIUWDIFT-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883250819 591591738 /nfs/dbraw/zinc/59/17/38/591591738.db2.gz PPNOQNLLBRJNRH-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883250820 591591707 /nfs/dbraw/zinc/59/17/07/591591707.db2.gz PPNOQNLLBRJNRH-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883250821 591591046 /nfs/dbraw/zinc/59/10/46/591591046.db2.gz PPNOQNLLBRJNRH-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883250822 591591464 /nfs/dbraw/zinc/59/14/64/591591464.db2.gz PPNOQNLLBRJNRH-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1sccc1C[NH2+]CC(C)(C)CC(F)F ZINC000883251335 591592745 /nfs/dbraw/zinc/59/27/45/591592745.db2.gz LAVIXLKZFDGLKX-UHFFFAOYSA-N 1 0 247.354 3.828 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000883251666 591592324 /nfs/dbraw/zinc/59/23/24/591592324.db2.gz XPVJXHDKHVBVQR-DLOVCJGASA-N 1 0 245.357 3.692 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000883251667 591592891 /nfs/dbraw/zinc/59/28/91/591592891.db2.gz XPVJXHDKHVBVQR-USWWRNFRSA-N 1 0 245.357 3.692 20 0 BHADRO Cc1cc(C[NH2+]CC(C)(C)CC(F)F)c(C)o1 ZINC000883251814 591593000 /nfs/dbraw/zinc/59/30/00/591593000.db2.gz FDUKICXSSCDNCB-UHFFFAOYSA-N 1 0 245.313 3.667 20 0 BHADRO CCc1ccc(C[NH2+]CC(C)(C)CC(F)F)o1 ZINC000883252099 591593039 /nfs/dbraw/zinc/59/30/39/591593039.db2.gz RGVZFWWUPCEGSQ-UHFFFAOYSA-N 1 0 245.313 3.613 20 0 BHADRO C[C@@H]([NH2+]CC1(CC2CC2)CC1)c1ccco1 ZINC000883252306 591592918 /nfs/dbraw/zinc/59/29/18/591592918.db2.gz CJHOHXYREORCNX-LLVKDONJSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]CC1(CC2CC2)CC1)c1ccco1 ZINC000883252307 591593047 /nfs/dbraw/zinc/59/30/47/591593047.db2.gz CJHOHXYREORCNX-NSHDSACASA-N 1 0 219.328 3.511 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]CC2(CC3CC3)CC2)c1 ZINC000883252963 591593806 /nfs/dbraw/zinc/59/38/06/591593806.db2.gz FLKDPIMQGZUMGW-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]CC2(CC3CC3)CC2)c1 ZINC000883252964 591594249 /nfs/dbraw/zinc/59/42/49/591594249.db2.gz FLKDPIMQGZUMGW-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO C[C@@H]([NH2+]CC1(CC2CC2)CC1)c1ccoc1 ZINC000883253079 591593985 /nfs/dbraw/zinc/59/39/85/591593985.db2.gz HSEWFFGSBYNAME-LLVKDONJSA-N 1 0 219.328 3.511 20 0 BHADRO C[C@H]([NH2+]CC1(CC2CC2)CC1)c1ccoc1 ZINC000883253080 591593695 /nfs/dbraw/zinc/59/36/95/591593695.db2.gz HSEWFFGSBYNAME-NSHDSACASA-N 1 0 219.328 3.511 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000883253274 591593548 /nfs/dbraw/zinc/59/35/48/591593548.db2.gz NLSAZBHRGBNYSV-CYBMUJFWSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000883253275 591594102 /nfs/dbraw/zinc/59/41/02/591594102.db2.gz NLSAZBHRGBNYSV-ZDUSSCGKSA-N 1 0 244.382 3.621 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC1(CC2CC2)CC1 ZINC000883253467 591593689 /nfs/dbraw/zinc/59/36/89/591593689.db2.gz SEOQBQGNUKQYGN-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC1(CC2CC2)CC1 ZINC000883253468 591593875 /nfs/dbraw/zinc/59/38/75/591593875.db2.gz SEOQBQGNUKQYGN-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@H]([NH2+]CC1(CC2CC2)CC1)c1ccncc1 ZINC000883253956 591594147 /nfs/dbraw/zinc/59/41/47/591594147.db2.gz GPQBRLMOAFCKAS-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC1(CC2CC2)CC1)c1ccncc1 ZINC000883253957 591594157 /nfs/dbraw/zinc/59/41/57/591594157.db2.gz GPQBRLMOAFCKAS-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(CC2CC2)CC1)C(C)(C)C(F)F ZINC000883254108 591594225 /nfs/dbraw/zinc/59/42/25/591594225.db2.gz KEQBDPQMOIELDH-JTQLQIEISA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+]CC1(CC2CC2)CC1)C(C)(C)C(F)F ZINC000883254109 591594136 /nfs/dbraw/zinc/59/41/36/591594136.db2.gz KEQBDPQMOIELDH-SNVBAGLBSA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255637 591595134 /nfs/dbraw/zinc/59/51/34/591595134.db2.gz AJJCOYDQHQFAEM-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CCC1CC1)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255638 591594538 /nfs/dbraw/zinc/59/45/38/591594538.db2.gz AJJCOYDQHQFAEM-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@]12C[C@@H]1CCC[C@H]2[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255883 591595233 /nfs/dbraw/zinc/59/52/33/591595233.db2.gz HTSBFWGLZVPXTI-DMDPSCGWSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255886 591595305 /nfs/dbraw/zinc/59/53/05/591595305.db2.gz HTSBFWGLZVPXTI-WZRBSPASSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC(F)(F)C1 ZINC000883256858 591594939 /nfs/dbraw/zinc/59/49/39/591594939.db2.gz KTGPBUIWFVLJKT-NEPJUHHUSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC(F)(F)C1 ZINC000883256859 583767257 /nfs/dbraw/zinc/76/72/57/583767257.db2.gz KTGPBUIWFVLJKT-NWDGAFQWSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC(F)(F)C1 ZINC000883256860 583767605 /nfs/dbraw/zinc/76/76/05/583767605.db2.gz KTGPBUIWFVLJKT-RYUDHWBXSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC(F)(F)C1 ZINC000883256861 583767572 /nfs/dbraw/zinc/76/75/72/583767572.db2.gz KTGPBUIWFVLJKT-VXGBXAGGSA-N 1 0 243.341 3.590 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1ccccn1 ZINC000883257432 591594888 /nfs/dbraw/zinc/59/48/88/591594888.db2.gz BEHSKIGJWABCJU-CHWSQXEVSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1ccccn1 ZINC000883257433 591594998 /nfs/dbraw/zinc/59/49/98/591594998.db2.gz BEHSKIGJWABCJU-OLZOCXBDSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1ccccn1 ZINC000883257434 583767432 /nfs/dbraw/zinc/76/74/32/583767432.db2.gz BEHSKIGJWABCJU-QWHCGFSZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1ccccn1 ZINC000883257435 583767362 /nfs/dbraw/zinc/76/73/62/583767362.db2.gz BEHSKIGJWABCJU-STQMWFEESA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1cncs1 ZINC000883257484 591595215 /nfs/dbraw/zinc/59/52/15/591595215.db2.gz CCAOAWBEVDGLST-GHMZBOCLSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1cncs1 ZINC000883257485 591595404 /nfs/dbraw/zinc/59/54/04/591595404.db2.gz CCAOAWBEVDGLST-MNOVXSKESA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1cncs1 ZINC000883257486 591594472 /nfs/dbraw/zinc/59/44/72/591594472.db2.gz CCAOAWBEVDGLST-QWRGUYRKSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1cncs1 ZINC000883257487 591594527 /nfs/dbraw/zinc/59/45/27/591594527.db2.gz CCAOAWBEVDGLST-WDEREUQCSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1ccncc1 ZINC000883257616 591594934 /nfs/dbraw/zinc/59/49/34/591594934.db2.gz GPFGJTJTXKKXNM-CHWSQXEVSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1ccncc1 ZINC000883257617 591595229 /nfs/dbraw/zinc/59/52/29/591595229.db2.gz GPFGJTJTXKKXNM-OLZOCXBDSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1ccncc1 ZINC000883257618 591594857 /nfs/dbraw/zinc/59/48/57/591594857.db2.gz GPFGJTJTXKKXNM-QWHCGFSZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1ccncc1 ZINC000883257619 591595187 /nfs/dbraw/zinc/59/51/87/591595187.db2.gz GPFGJTJTXKKXNM-STQMWFEESA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1cscn1 ZINC000883257646 591595081 /nfs/dbraw/zinc/59/50/81/591595081.db2.gz HKQJIJFUWHDFQK-GHMZBOCLSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1cscn1 ZINC000883257647 591594716 /nfs/dbraw/zinc/59/47/16/591594716.db2.gz HKQJIJFUWHDFQK-MNOVXSKESA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1cscn1 ZINC000883257648 591595279 /nfs/dbraw/zinc/59/52/79/591595279.db2.gz HKQJIJFUWHDFQK-QWRGUYRKSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1cscn1 ZINC000883257649 591594689 /nfs/dbraw/zinc/59/46/89/591594689.db2.gz HKQJIJFUWHDFQK-WDEREUQCSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1cccnc1 ZINC000883258051 591595659 /nfs/dbraw/zinc/59/56/59/591595659.db2.gz QJORCBAMODTYTJ-CHWSQXEVSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1cccnc1 ZINC000883258052 591596382 /nfs/dbraw/zinc/59/63/82/591596382.db2.gz QJORCBAMODTYTJ-OLZOCXBDSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1cccnc1 ZINC000883258053 591596245 /nfs/dbraw/zinc/59/62/45/591596245.db2.gz QJORCBAMODTYTJ-QWHCGFSZSA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1cccnc1 ZINC000883258054 591596261 /nfs/dbraw/zinc/59/62/61/591596261.db2.gz QJORCBAMODTYTJ-STQMWFEESA-N 1 0 220.360 3.559 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1nccs1 ZINC000883258306 591595968 /nfs/dbraw/zinc/59/59/68/591595968.db2.gz WPSYBLLRRODUHW-GHMZBOCLSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1nccs1 ZINC000883258307 591596108 /nfs/dbraw/zinc/59/61/08/591596108.db2.gz WPSYBLLRRODUHW-MNOVXSKESA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1nccs1 ZINC000883258308 591595694 /nfs/dbraw/zinc/59/56/94/591595694.db2.gz WPSYBLLRRODUHW-QWRGUYRKSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1nccs1 ZINC000883258309 591596195 /nfs/dbraw/zinc/59/61/95/591596195.db2.gz WPSYBLLRRODUHW-WDEREUQCSA-N 1 0 226.389 3.620 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000883258334 591596294 /nfs/dbraw/zinc/59/62/94/591596294.db2.gz XMTZUYNKTKFTFH-NEPJUHHUSA-N 1 0 249.402 3.570 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000883258335 591596292 /nfs/dbraw/zinc/59/62/92/591596292.db2.gz XMTZUYNKTKFTFH-NWDGAFQWSA-N 1 0 249.402 3.570 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000883258336 591596580 /nfs/dbraw/zinc/59/65/80/591596580.db2.gz XMTZUYNKTKFTFH-RYUDHWBXSA-N 1 0 249.402 3.570 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000883258337 591595718 /nfs/dbraw/zinc/59/57/18/591595718.db2.gz XMTZUYNKTKFTFH-VXGBXAGGSA-N 1 0 249.402 3.570 20 0 BHADRO COc1ccc(C2CC2)cc1C[NH2+]C1CCCC1 ZINC000883258567 591596355 /nfs/dbraw/zinc/59/63/55/591596355.db2.gz HCAFIVYBFRWQND-UHFFFAOYSA-N 1 0 245.366 3.605 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccoc1 ZINC000883258629 591596230 /nfs/dbraw/zinc/59/62/30/591596230.db2.gz JBIJQNYJUOFDBQ-SECBINFHSA-N 1 0 231.286 3.612 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccoc1 ZINC000883258630 591596063 /nfs/dbraw/zinc/59/60/63/591596063.db2.gz JBIJQNYJUOFDBQ-VIFPVBQESA-N 1 0 231.286 3.612 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCC12CCC2)CC(F)F ZINC000883260061 591597495 /nfs/dbraw/zinc/59/74/95/591597495.db2.gz IVKKCTDSZGXYNU-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC12CCC2)CC(F)F ZINC000883260062 591597625 /nfs/dbraw/zinc/59/76/25/591597625.db2.gz IVKKCTDSZGXYNU-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)CC(F)F ZINC000883260147 591597579 /nfs/dbraw/zinc/59/75/79/591597579.db2.gz LJAICXMUVNRMRX-GYSYKLTISA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)CC(F)F ZINC000883260149 591597856 /nfs/dbraw/zinc/59/78/56/591597856.db2.gz LJAICXMUVNRMRX-MISXGVKJSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CCCC12CCC2)CC(F)F ZINC000883260200 591596987 /nfs/dbraw/zinc/59/69/87/591596987.db2.gz NCBNKYMDTAMDCH-LLVKDONJSA-N 1 0 245.357 3.980 20 0 BHADRO CC(C)(C[NH2+][C@H]1CCCC12CCC2)CC(F)F ZINC000883260201 591597466 /nfs/dbraw/zinc/59/74/66/591597466.db2.gz NCBNKYMDTAMDCH-NSHDSACASA-N 1 0 245.357 3.980 20 0 BHADRO C=C/C=C\CC[NH2+]Cc1ccc(SC)s1 ZINC000883260239 591598003 /nfs/dbraw/zinc/59/80/03/591598003.db2.gz OPBZTWNKFZOJNR-PLNGDYQASA-N 1 0 239.409 3.692 20 0 BHADRO C=C/C=C/CC[NH2+]Cc1ccc(SC)s1 ZINC000883260240 591597090 /nfs/dbraw/zinc/59/70/90/591597090.db2.gz OPBZTWNKFZOJNR-SNAWJCMRSA-N 1 0 239.409 3.692 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]1C[C@@H]1C ZINC000883260352 591597828 /nfs/dbraw/zinc/59/78/28/591597828.db2.gz RPFQOYIDCHGDSG-AXFHLTTASA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H]1C[C@@H]1C ZINC000883260353 591597785 /nfs/dbraw/zinc/59/77/85/591597785.db2.gz RPFQOYIDCHGDSG-DCAQKATOSA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]1C[C@H]1C ZINC000883260354 591597149 /nfs/dbraw/zinc/59/71/49/591597149.db2.gz RPFQOYIDCHGDSG-MXWKQRLJSA-N 1 0 233.346 3.692 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H]1C[C@H]1C ZINC000883260355 591597585 /nfs/dbraw/zinc/59/75/85/591597585.db2.gz RPFQOYIDCHGDSG-VWYCJHECSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CCC1)CC(F)F ZINC000883260451 591598773 /nfs/dbraw/zinc/59/87/73/591598773.db2.gz VLNOYYKMTNXNHX-NEPJUHHUSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CCC1)CC(F)F ZINC000883260452 591598644 /nfs/dbraw/zinc/59/86/44/591598644.db2.gz VLNOYYKMTNXNHX-NWDGAFQWSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CCC1)CC(F)F ZINC000883260453 591598364 /nfs/dbraw/zinc/59/83/64/591598364.db2.gz VLNOYYKMTNXNHX-RYUDHWBXSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CC(F)F ZINC000883260454 591598369 /nfs/dbraw/zinc/59/83/69/591598369.db2.gz VLNOYYKMTNXNHX-VXGBXAGGSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000883260599 591598418 /nfs/dbraw/zinc/59/84/18/591598418.db2.gz ZXQXXTUQZBLAAI-GHMZBOCLSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000883260600 591598463 /nfs/dbraw/zinc/59/84/63/591598463.db2.gz ZXQXXTUQZBLAAI-MNOVXSKESA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CC(F)F ZINC000883260601 591599172 /nfs/dbraw/zinc/59/91/72/591599172.db2.gz ZXQXXTUQZBLAAI-QWRGUYRKSA-N 1 0 233.346 3.692 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CC(F)F ZINC000883260602 591598393 /nfs/dbraw/zinc/59/83/93/591598393.db2.gz ZXQXXTUQZBLAAI-WDEREUQCSA-N 1 0 233.346 3.692 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C[C@@]2(C)CC2(C)C)s1 ZINC000883260834 591598955 /nfs/dbraw/zinc/59/89/55/591598955.db2.gz IEXVLCMAJVTFOJ-NOZJJQNGSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C[C@]2(C)CC2(C)C)s1 ZINC000883260835 591598303 /nfs/dbraw/zinc/59/83/03/591598303.db2.gz IEXVLCMAJVTFOJ-RNCFNFMXSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@@]2(C)CC2(C)C)s1 ZINC000883260836 591598863 /nfs/dbraw/zinc/59/88/63/591598863.db2.gz IEXVLCMAJVTFOJ-TVQRCGJNSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C[C@]2(C)CC2(C)C)s1 ZINC000883260837 591598760 /nfs/dbraw/zinc/59/87/60/591598760.db2.gz IEXVLCMAJVTFOJ-ZANVPECISA-N 1 0 238.400 3.538 20 0 BHADRO C=C/C=C\CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000883261233 591598444 /nfs/dbraw/zinc/59/84/44/591598444.db2.gz VJKJIJIZYNUEOO-ARJAWSKDSA-N 1 0 248.395 3.633 20 0 BHADRO C=C/C=C/CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000883261234 591598983 /nfs/dbraw/zinc/59/89/83/591598983.db2.gz VJKJIJIZYNUEOO-ONEGZZNKSA-N 1 0 248.395 3.633 20 0 BHADRO Cc1occc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883264649 591600109 /nfs/dbraw/zinc/60/01/09/591600109.db2.gz GYEWMMSIOJJJIN-GFCCVEGCSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1occc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883264650 591599874 /nfs/dbraw/zinc/59/98/74/591599874.db2.gz GYEWMMSIOJJJIN-LBPRGKRZSA-N 1 0 243.297 3.503 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC000883266007 591601234 /nfs/dbraw/zinc/60/12/34/591601234.db2.gz PYKVCQGFAWKCHG-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC000883266008 591601207 /nfs/dbraw/zinc/60/12/07/591601207.db2.gz PYKVCQGFAWKCHG-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC000883266009 591601184 /nfs/dbraw/zinc/60/11/84/591601184.db2.gz PYKVCQGFAWKCHG-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC000883266010 591600724 /nfs/dbraw/zinc/60/07/24/591600724.db2.gz PYKVCQGFAWKCHG-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266251 591601314 /nfs/dbraw/zinc/60/13/14/591601314.db2.gz VUHGMBPPVMDCOE-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266252 591601048 /nfs/dbraw/zinc/60/10/48/591601048.db2.gz VUHGMBPPVMDCOE-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)o1 ZINC000883266769 591601153 /nfs/dbraw/zinc/60/11/53/591601153.db2.gz JBRZDFWRDICKSX-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)o1 ZINC000883266770 591600770 /nfs/dbraw/zinc/60/07/70/591600770.db2.gz JBRZDFWRDICKSX-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+]Cc1ccsc1 ZINC000883267075 591601042 /nfs/dbraw/zinc/60/10/42/591601042.db2.gz RUVVTBYAUYCCRS-LLVKDONJSA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+]Cc1ccsc1 ZINC000883267076 591601214 /nfs/dbraw/zinc/60/12/14/591601214.db2.gz RUVVTBYAUYCCRS-NSHDSACASA-N 1 0 245.338 3.663 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](CCC)c1ccccn1 ZINC000883267342 591601434 /nfs/dbraw/zinc/60/14/34/591601434.db2.gz BGLQZEGHJZLAQI-GEXIGZQTSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](CCC)c1ccccn1 ZINC000883267343 591600975 /nfs/dbraw/zinc/60/09/75/591600975.db2.gz BGLQZEGHJZLAQI-GJBLVYBDSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](CCC)c1ccccn1 ZINC000883267344 591601424 /nfs/dbraw/zinc/60/14/24/591601424.db2.gz BGLQZEGHJZLAQI-GXMNPTEKSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](CCC)c1ccccn1 ZINC000883267345 583770242 /nfs/dbraw/zinc/77/02/42/583770242.db2.gz BGLQZEGHJZLAQI-VBROQKIQSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1cccnc1Cl ZINC000883267566 591600887 /nfs/dbraw/zinc/60/08/87/591600887.db2.gz KFPSDADVOONWLN-DOGVGXBMSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1cccnc1Cl ZINC000883267567 591600849 /nfs/dbraw/zinc/60/08/49/591600849.db2.gz KFPSDADVOONWLN-SGUJLRQBSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000883267568 591600784 /nfs/dbraw/zinc/60/07/84/591600784.db2.gz KFPSDADVOONWLN-WYGGZMRJSA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000883267569 591601355 /nfs/dbraw/zinc/60/13/55/591601355.db2.gz KFPSDADVOONWLN-ZWNMCFTASA-N 1 0 236.746 3.518 20 0 BHADRO C=C/C=C/CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000883267637 591601211 /nfs/dbraw/zinc/60/12/11/591601211.db2.gz LYWVRBFJOLOVAE-ITKZLYELSA-N 1 0 248.395 3.551 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000883267638 591601148 /nfs/dbraw/zinc/60/11/48/591601148.db2.gz LYWVRBFJOLOVAE-QMAVJUDZSA-N 1 0 248.395 3.551 20 0 BHADRO C=C/C=C\CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000883267639 591601394 /nfs/dbraw/zinc/60/13/94/591601394.db2.gz LYWVRBFJOLOVAE-RXNFCKPNSA-N 1 0 248.395 3.551 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000883267640 591601301 /nfs/dbraw/zinc/60/13/01/591601301.db2.gz LYWVRBFJOLOVAE-ZYOFXKKJSA-N 1 0 248.395 3.551 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000883268015 591600701 /nfs/dbraw/zinc/60/07/01/591600701.db2.gz AGSBFUNWNCUWQX-IYKSTZQJSA-N 1 0 248.345 3.640 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000883268016 591601329 /nfs/dbraw/zinc/60/13/29/591601329.db2.gz AGSBFUNWNCUWQX-LLYBFZRZSA-N 1 0 248.345 3.640 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000883268017 591600929 /nfs/dbraw/zinc/60/09/29/591600929.db2.gz AGSBFUNWNCUWQX-NFAHFFEMSA-N 1 0 248.345 3.640 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000883268018 591601243 /nfs/dbraw/zinc/60/12/43/591601243.db2.gz AGSBFUNWNCUWQX-YVACAVLKSA-N 1 0 248.345 3.640 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](CCC)c1cccnc1 ZINC000883268187 591602249 /nfs/dbraw/zinc/60/22/49/591602249.db2.gz DYTNYWYBIOHIAL-IYKSTZQJSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](CCC)c1cccnc1 ZINC000883268188 591601996 /nfs/dbraw/zinc/60/19/96/591601996.db2.gz DYTNYWYBIOHIAL-LLYBFZRZSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](CCC)c1cccnc1 ZINC000883268189 591601911 /nfs/dbraw/zinc/60/19/11/591601911.db2.gz DYTNYWYBIOHIAL-NFAHFFEMSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](CCC)c1cccnc1 ZINC000883268190 591601978 /nfs/dbraw/zinc/60/19/78/591601978.db2.gz DYTNYWYBIOHIAL-YVACAVLKSA-N 1 0 230.355 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1sccc1OC ZINC000883268454 591602541 /nfs/dbraw/zinc/60/25/41/591602541.db2.gz LHBIEJCGGNVRRA-GZTOBOFZSA-N 1 0 237.368 3.540 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1sccc1OC ZINC000883268455 591601880 /nfs/dbraw/zinc/60/18/80/591601880.db2.gz LHBIEJCGGNVRRA-ISALQUGTSA-N 1 0 237.368 3.540 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1sccc1OC ZINC000883268456 591602485 /nfs/dbraw/zinc/60/24/85/591602485.db2.gz LHBIEJCGGNVRRA-MVIFTORASA-N 1 0 237.368 3.540 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1sccc1OC ZINC000883268457 591601903 /nfs/dbraw/zinc/60/19/03/591601903.db2.gz LHBIEJCGGNVRRA-QRGHLMKCSA-N 1 0 237.368 3.540 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000883268516 591602378 /nfs/dbraw/zinc/60/23/78/591602378.db2.gz MRNAGQMFFCXACA-CWDCEQMOSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000883268517 591602258 /nfs/dbraw/zinc/60/22/58/591602258.db2.gz MRNAGQMFFCXACA-MJSXRHKHSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000883268518 591602020 /nfs/dbraw/zinc/60/20/20/591602020.db2.gz MRNAGQMFFCXACA-QDLOVBKTSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000883268519 591602262 /nfs/dbraw/zinc/60/22/62/591602262.db2.gz MRNAGQMFFCXACA-QGZUEGPWSA-N 1 0 242.366 3.645 20 0 BHADRO C=C/C=C\CC[NH2+]C1CCC(C(F)F)CC1 ZINC000883268822 591602551 /nfs/dbraw/zinc/60/25/51/591602551.db2.gz UFOWLUDZKLBMMQ-ARJAWSKDSA-N 1 0 229.314 3.532 20 0 BHADRO C=C/C=C/CC[NH2+]C1CCC(C(F)F)CC1 ZINC000883268823 591599608 /nfs/dbraw/zinc/59/96/08/591599608.db2.gz UFOWLUDZKLBMMQ-ONEGZZNKSA-N 1 0 229.314 3.532 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000883269112 591602014 /nfs/dbraw/zinc/60/20/14/591602014.db2.gz ZVIWDPRSTUMAPL-GWJCSSMESA-N 1 0 247.386 3.555 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000883269113 591602389 /nfs/dbraw/zinc/60/23/89/591602389.db2.gz ZVIWDPRSTUMAPL-MEJMFZKBSA-N 1 0 247.386 3.555 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000883269114 591601992 /nfs/dbraw/zinc/60/19/92/591601992.db2.gz ZVIWDPRSTUMAPL-SBDDDAINSA-N 1 0 247.386 3.555 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000883269115 591602119 /nfs/dbraw/zinc/60/21/19/591602119.db2.gz ZVIWDPRSTUMAPL-WSROAFLRSA-N 1 0 247.386 3.555 20 0 BHADRO C=C/C=C/CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000883269120 591602052 /nfs/dbraw/zinc/60/20/52/591602052.db2.gz ZWSOGRKLGXAGHL-CWDCEQMOSA-N 1 0 242.366 3.655 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000883269121 591602331 /nfs/dbraw/zinc/60/23/31/591602331.db2.gz ZWSOGRKLGXAGHL-MJSXRHKHSA-N 1 0 242.366 3.655 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000883269122 591602461 /nfs/dbraw/zinc/60/24/61/591602461.db2.gz ZWSOGRKLGXAGHL-QDLOVBKTSA-N 1 0 242.366 3.655 20 0 BHADRO C=C/C=C\CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000883269123 591601921 /nfs/dbraw/zinc/60/19/21/591601921.db2.gz ZWSOGRKLGXAGHL-QGZUEGPWSA-N 1 0 242.366 3.655 20 0 BHADRO C=C/C=C\CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000883269798 583772789 /nfs/dbraw/zinc/77/27/89/583772789.db2.gz WYUUHKPNCHELEQ-GZTOBOFZSA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C\CC[NH2+][C@H](CC)CCC(F)(F)F ZINC000883269799 583772609 /nfs/dbraw/zinc/77/26/09/583772609.db2.gz WYUUHKPNCHELEQ-ISALQUGTSA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C/CC[NH2+][C@H](CC)CCC(F)(F)F ZINC000883269800 583772622 /nfs/dbraw/zinc/77/26/22/583772622.db2.gz WYUUHKPNCHELEQ-MVIFTORASA-N 1 0 235.293 3.829 20 0 BHADRO C=C/C=C/CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000883269801 583772695 /nfs/dbraw/zinc/77/26/95/583772695.db2.gz WYUUHKPNCHELEQ-QRGHLMKCSA-N 1 0 235.293 3.829 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883273367 591605693 /nfs/dbraw/zinc/60/56/93/591605693.db2.gz JZFALOQOIACUQX-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883273368 591605949 /nfs/dbraw/zinc/60/59/49/591605949.db2.gz JZFALOQOIACUQX-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883273369 591605802 /nfs/dbraw/zinc/60/58/02/591605802.db2.gz JZFALOQOIACUQX-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883273370 591599548 /nfs/dbraw/zinc/59/95/48/591599548.db2.gz JZFALOQOIACUQX-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883273600 591606004 /nfs/dbraw/zinc/60/60/04/591606004.db2.gz OCLYHTREYRHZAE-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883273601 591606009 /nfs/dbraw/zinc/60/60/09/591606009.db2.gz OCLYHTREYRHZAE-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883273883 591605571 /nfs/dbraw/zinc/60/55/71/591605571.db2.gz UOEYIVVFOOYNFK-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883273884 591605986 /nfs/dbraw/zinc/60/59/86/591605986.db2.gz UOEYIVVFOOYNFK-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883273885 591605664 /nfs/dbraw/zinc/60/56/64/591605664.db2.gz UOEYIVVFOOYNFK-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883273886 591606031 /nfs/dbraw/zinc/60/60/31/591606031.db2.gz UOEYIVVFOOYNFK-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CCC1 ZINC000883274133 591605610 /nfs/dbraw/zinc/60/56/10/591605610.db2.gz ZYYHLXITVGKLPM-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CCC1 ZINC000883274134 591605727 /nfs/dbraw/zinc/60/57/27/591605727.db2.gz ZYYHLXITVGKLPM-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CCC1 ZINC000883274135 591605684 /nfs/dbraw/zinc/60/56/84/591605684.db2.gz ZYYHLXITVGKLPM-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CCC1 ZINC000883274136 591605660 /nfs/dbraw/zinc/60/56/60/591605660.db2.gz ZYYHLXITVGKLPM-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCCC12CC2 ZINC000883274165 591605536 /nfs/dbraw/zinc/60/55/36/591605536.db2.gz ALLPGXOZPYSFDP-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000883274166 591605909 /nfs/dbraw/zinc/60/59/09/591605909.db2.gz ALLPGXOZPYSFDP-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@H]1CCCC12CC2 ZINC000883274167 591605279 /nfs/dbraw/zinc/60/52/79/591605279.db2.gz ALLPGXOZPYSFDP-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000883274168 591605914 /nfs/dbraw/zinc/60/59/14/591605914.db2.gz ALLPGXOZPYSFDP-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC12CCC2 ZINC000883274182 591605670 /nfs/dbraw/zinc/60/56/70/591605670.db2.gz ATTVPTHFTAVGDW-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000883274183 591605934 /nfs/dbraw/zinc/60/59/34/591605934.db2.gz ATTVPTHFTAVGDW-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@H]1CCC12CCC2 ZINC000883274184 591605742 /nfs/dbraw/zinc/60/57/42/591605742.db2.gz ATTVPTHFTAVGDW-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000883274185 591605584 /nfs/dbraw/zinc/60/55/84/591605584.db2.gz ATTVPTHFTAVGDW-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883274352 591605828 /nfs/dbraw/zinc/60/58/28/591605828.db2.gz HOQGRWLZSFTTTE-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883274353 591605879 /nfs/dbraw/zinc/60/58/79/591605879.db2.gz HOQGRWLZSFTTTE-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883274354 591605319 /nfs/dbraw/zinc/60/53/19/591605319.db2.gz HOQGRWLZSFTTTE-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883274355 591605264 /nfs/dbraw/zinc/60/52/64/591605264.db2.gz HOQGRWLZSFTTTE-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000883274356 591605690 /nfs/dbraw/zinc/60/56/90/591605690.db2.gz HPELGQLEZSIOFF-LOWDOPEQSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000883274357 591605876 /nfs/dbraw/zinc/60/58/76/591605876.db2.gz HPELGQLEZSIOFF-RVMXOQNASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000883274358 591605592 /nfs/dbraw/zinc/60/55/92/591605592.db2.gz HPELGQLEZSIOFF-WUHRBBMRSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)CC([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC000883274643 591605721 /nfs/dbraw/zinc/60/57/21/591605721.db2.gz QUMLTAMGSRIHTH-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC000883274644 591605841 /nfs/dbraw/zinc/60/58/41/591605841.db2.gz QUMLTAMGSRIHTH-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000883274769 583774154 /nfs/dbraw/zinc/77/41/54/583774154.db2.gz UMSVGTNLZAQDGB-AGIUHOORSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000883274770 583773955 /nfs/dbraw/zinc/77/39/55/583773955.db2.gz UMSVGTNLZAQDGB-FRRDWIJNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000883274771 583773808 /nfs/dbraw/zinc/77/38/08/583773808.db2.gz UMSVGTNLZAQDGB-JHJVBQTASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000883274772 583773843 /nfs/dbraw/zinc/77/38/43/583773843.db2.gz UMSVGTNLZAQDGB-UPJWGTAASA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(C)(C)C(F)F ZINC000883321487 591615758 /nfs/dbraw/zinc/61/57/58/591615758.db2.gz DNWBGBTUDQQWAM-FIQHERPVSA-N 1 0 245.357 3.835 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(C)(C)C(F)F ZINC000883321488 591616585 /nfs/dbraw/zinc/61/65/85/591616585.db2.gz DNWBGBTUDQQWAM-NOOOWODRSA-N 1 0 245.357 3.835 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccncc1 ZINC000883322154 591616549 /nfs/dbraw/zinc/61/65/49/591616549.db2.gz WGPFPLHWLIYFJG-CAOSSQGBSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccncc1 ZINC000883322155 591616653 /nfs/dbraw/zinc/61/66/53/591616653.db2.gz WGPFPLHWLIYFJG-YHUYYLMFSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322294 591616583 /nfs/dbraw/zinc/61/65/83/591616583.db2.gz AHHQSEGUTVKAHA-FIQHERPVSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322295 591615781 /nfs/dbraw/zinc/61/57/81/591615781.db2.gz AHHQSEGUTVKAHA-NOOOWODRSA-N 1 0 249.320 3.886 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322397 591616537 /nfs/dbraw/zinc/61/65/37/591616537.db2.gz CQQVMWQEZCQNFD-ORIJERBGSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322398 591615794 /nfs/dbraw/zinc/61/57/94/591615794.db2.gz CQQVMWQEZCQNFD-RZLSGREXSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000883322585 591615769 /nfs/dbraw/zinc/61/57/69/591615769.db2.gz LYXIKNUHZBPKBK-BFJAYTPKSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000883322586 591616594 /nfs/dbraw/zinc/61/65/94/591616594.db2.gz LYXIKNUHZBPKBK-DARAHFNDSA-N 1 0 244.382 3.619 20 0 BHADRO CCCC(CCC)[NH2+]C1CCC2(COC2)CC1 ZINC000883377556 591637111 /nfs/dbraw/zinc/63/71/11/591637111.db2.gz KRPHHFXPQYKGSA-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378233 591637516 /nfs/dbraw/zinc/63/75/16/591637516.db2.gz DJBDNMDXVNANTH-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378234 591637494 /nfs/dbraw/zinc/63/74/94/591637494.db2.gz DJBDNMDXVNANTH-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CCC2(COC2)CC1 ZINC000883379146 591638384 /nfs/dbraw/zinc/63/83/84/591638384.db2.gz PHAZWGZKVRWSGX-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CCC2(COC2)CC1 ZINC000883379147 591638240 /nfs/dbraw/zinc/63/82/40/591638240.db2.gz PHAZWGZKVRWSGX-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1ccc(NCc2ccc(SC)o2)nc1 ZINC000883384122 591639296 /nfs/dbraw/zinc/63/92/96/591639296.db2.gz LTQXSFMIUDIDMX-UHFFFAOYSA-N 1 0 248.351 3.571 20 0 BHADRO C[C@H]([NH2+]Cc1nsc2ccccc21)C1CCC1 ZINC000883402140 591648883 /nfs/dbraw/zinc/64/88/83/591648883.db2.gz JFVLNNDXOIINOJ-JTQLQIEISA-N 1 0 246.379 3.575 20 0 BHADRO C[C@@H]([NH2+]Cc1nsc2ccccc21)C1CCC1 ZINC000883402141 591648313 /nfs/dbraw/zinc/64/83/13/591648313.db2.gz JFVLNNDXOIINOJ-SNVBAGLBSA-N 1 0 246.379 3.575 20 0 BHADRO Cc1coc(C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000885910573 592108049 /nfs/dbraw/zinc/10/80/49/592108049.db2.gz JSLKQVHARJSHOM-AWEZNQCLSA-N 1 0 247.363 3.890 20 0 BHADRO Cc1coc(C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000885910575 592108169 /nfs/dbraw/zinc/10/81/69/592108169.db2.gz JSLKQVHARJSHOM-CQSZACIVSA-N 1 0 247.363 3.890 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000885951295 592113672 /nfs/dbraw/zinc/11/36/72/592113672.db2.gz DKIJOZSDQAFJLN-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000885951296 592113706 /nfs/dbraw/zinc/11/37/06/592113706.db2.gz DKIJOZSDQAFJLN-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3cc(C)ccc32)c1 ZINC000885951914 592113553 /nfs/dbraw/zinc/11/35/53/592113553.db2.gz RKNFAVKSNNFCPE-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3cc(C)ccc32)c1 ZINC000885951915 592114187 /nfs/dbraw/zinc/11/41/87/592114187.db2.gz RKNFAVKSNNFCPE-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000885952107 592113685 /nfs/dbraw/zinc/11/36/85/592113685.db2.gz WUZBQWRTRPUXEZ-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000885952108 592113976 /nfs/dbraw/zinc/11/39/76/592113976.db2.gz WUZBQWRTRPUXEZ-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000885956466 592114480 /nfs/dbraw/zinc/11/44/80/592114480.db2.gz QCVVWJAILSJGLN-UHFFFAOYSA-N 1 0 241.334 3.757 20 0 BHADRO Cc1coc(C[NH2+]C(C)(C)c2ccc(F)cc2)c1 ZINC000885967718 592117846 /nfs/dbraw/zinc/11/78/46/592117846.db2.gz XCEJZHITQAAPDI-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000885970567 592119210 /nfs/dbraw/zinc/11/92/10/592119210.db2.gz DCNGBOJSUGXOPE-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000885970568 592119124 /nfs/dbraw/zinc/11/91/24/592119124.db2.gz DCNGBOJSUGXOPE-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3ccc(C)cc32)c1 ZINC000885972377 592119376 /nfs/dbraw/zinc/11/93/76/592119376.db2.gz AQNZYSPGIQUWQI-INIZCTEOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c1 ZINC000885972378 592118815 /nfs/dbraw/zinc/11/88/15/592118815.db2.gz AQNZYSPGIQUWQI-MRXNPFEDSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1coc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000885972395 592119129 /nfs/dbraw/zinc/11/91/29/592119129.db2.gz BIPVMWOLWBSRCL-HNNXBMFYSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000885972396 592118703 /nfs/dbraw/zinc/11/87/03/592118703.db2.gz BIPVMWOLWBSRCL-OAHLLOKOSA-N 1 0 245.297 3.504 20 0 BHADRO Cc1coc(C[NH2+]C(C)(C)c2cccs2)c1 ZINC000885990077 592123569 /nfs/dbraw/zinc/12/35/69/592123569.db2.gz BCLDPANTTAFPHJ-UHFFFAOYSA-N 1 0 235.352 3.674 20 0 BHADRO Cc1coc(C[NH2+]C(C)(C)c2cccc(F)c2)c1 ZINC000885992465 592123922 /nfs/dbraw/zinc/12/39/22/592123922.db2.gz ILLGQAXYXOBJJP-UHFFFAOYSA-N 1 0 247.313 3.752 20 0 BHADRO Cc1coc(C[NH2+]C2(C)CCC(F)(F)CC2)c1 ZINC000886059443 592142450 /nfs/dbraw/zinc/14/24/50/592142450.db2.gz DRYLMWMEJYGJSL-UHFFFAOYSA-N 1 0 243.297 3.646 20 0 BHADRO Cc1coc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1 ZINC000886083792 592144908 /nfs/dbraw/zinc/14/49/08/592144908.db2.gz NEXNBKBBLJGKDA-LLVKDONJSA-N 1 0 249.276 3.655 20 0 BHADRO Cc1coc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000886083793 592145711 /nfs/dbraw/zinc/14/57/11/592145711.db2.gz NEXNBKBBLJGKDA-NSHDSACASA-N 1 0 249.276 3.655 20 0 BHADRO Cc1coc(C[NH2+][C@@H](C)CCCC(F)(F)F)c1 ZINC000886090504 592146222 /nfs/dbraw/zinc/14/62/22/592146222.db2.gz ZZVWVXSNLOVEMY-JTQLQIEISA-N 1 0 249.276 3.799 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)CCCC(F)(F)F)c1 ZINC000886090505 592145474 /nfs/dbraw/zinc/14/54/74/592145474.db2.gz ZZVWVXSNLOVEMY-SNVBAGLBSA-N 1 0 249.276 3.799 20 0 BHADRO C[C@@H](c1ccncc1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886091557 592146936 /nfs/dbraw/zinc/14/69/36/592146936.db2.gz CPHWTPLRULMMOY-MAZHCROVSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccncc1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886091558 592146080 /nfs/dbraw/zinc/14/60/80/592146080.db2.gz CPHWTPLRULMMOY-WQVCFCJDSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092083 592146876 /nfs/dbraw/zinc/14/68/76/592146876.db2.gz NIZIVGIRVCJPEX-CFVMTHIKSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092084 592146243 /nfs/dbraw/zinc/14/62/43/592146243.db2.gz NIZIVGIRVCJPEX-YUELXQCFSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092372 592146580 /nfs/dbraw/zinc/14/65/80/592146580.db2.gz VFXVZDNOEHYXMX-BJJXKVORSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092373 592146488 /nfs/dbraw/zinc/14/64/88/592146488.db2.gz VFXVZDNOEHYXMX-XPKDYRNWSA-N 1 0 244.382 3.511 20 0 BHADRO Cc1coc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000886107207 592156140 /nfs/dbraw/zinc/15/61/40/592156140.db2.gz NEHIWUCMMMDEJE-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1coc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000886107208 592156645 /nfs/dbraw/zinc/15/66/45/592156645.db2.gz NEHIWUCMMMDEJE-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1coc(C[NH2+]C2(c3ccccc3C)CC2)c1 ZINC000886151196 592163873 /nfs/dbraw/zinc/16/38/73/592163873.db2.gz DGYBNYMBQJYNAL-UHFFFAOYSA-N 1 0 241.334 3.675 20 0 BHADRO CC(C)(F)CC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886160283 592165426 /nfs/dbraw/zinc/16/54/26/592165426.db2.gz PCCWTKKOQLZZDZ-GQCTYLIASA-N 1 0 239.309 3.567 20 0 BHADRO CC(C)(F)CC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886160284 592165800 /nfs/dbraw/zinc/16/58/00/592165800.db2.gz PCCWTKKOQLZZDZ-XQRVVYSFSA-N 1 0 239.309 3.567 20 0 BHADRO Cc1coc(C[NH2+]CC(C)(C)CC(F)(F)F)c1 ZINC000886166712 592167402 /nfs/dbraw/zinc/16/74/02/592167402.db2.gz PBYJRLSPLKJWIL-UHFFFAOYSA-N 1 0 249.276 3.656 20 0 BHADRO Cc1coc(C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000886185842 585110840 /nfs/dbraw/zinc/11/08/40/585110840.db2.gz JMDHCOVEVSEHJR-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1coc(C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000886185843 585110969 /nfs/dbraw/zinc/11/09/69/585110969.db2.gz JMDHCOVEVSEHJR-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886272387 592192821 /nfs/dbraw/zinc/19/28/21/592192821.db2.gz OKVIJLXWRJWHMY-AVGNSLFASA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886272388 592192524 /nfs/dbraw/zinc/19/25/24/592192524.db2.gz OKVIJLXWRJWHMY-RWMBFGLXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886272389 592192743 /nfs/dbraw/zinc/19/27/43/592192743.db2.gz OKVIJLXWRJWHMY-XQQFMLRXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886272390 592192400 /nfs/dbraw/zinc/19/24/00/592192400.db2.gz OKVIJLXWRJWHMY-YNEHKIRRSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)c1ncco1 ZINC000886272454 592192853 /nfs/dbraw/zinc/19/28/53/592192853.db2.gz QFNGOHHTYCWYDH-LMWSTFAQSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+]C1CCC(C2CCC2)CC1)c1ncco1 ZINC000886272455 592193186 /nfs/dbraw/zinc/19/31/86/592193186.db2.gz QFNGOHHTYCWYDH-XGNXJENSSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@@H]([NH2+]CC1CCCCCCC1)c1ncco1 ZINC000886273983 592193916 /nfs/dbraw/zinc/19/39/16/592193916.db2.gz KFITVUYWYZARDJ-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CC1CCCCCCC1)c1ncco1 ZINC000886273984 592193718 /nfs/dbraw/zinc/19/37/18/592193718.db2.gz KFITVUYWYZARDJ-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1ncco1 ZINC000886274118 592193514 /nfs/dbraw/zinc/19/35/14/592193514.db2.gz MPIKKWZLNISVQC-LLVKDONJSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1ncco1 ZINC000886274119 592193400 /nfs/dbraw/zinc/19/34/00/592193400.db2.gz MPIKKWZLNISVQC-NSHDSACASA-N 1 0 236.359 3.542 20 0 BHADRO CC(C)C1CCC([NH2+][C@@H](C)c2ncco2)CC1 ZINC000886274136 592194452 /nfs/dbraw/zinc/19/44/52/592194452.db2.gz MWLFUEGAWIVABB-HIFPTAJRSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)C1CCC([NH2+][C@H](C)c2ncco2)CC1 ZINC000886274137 592194665 /nfs/dbraw/zinc/19/46/65/592194665.db2.gz MWLFUEGAWIVABB-PNESKVBLSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCCCCC1)c1ncco1 ZINC000886274256 592194355 /nfs/dbraw/zinc/19/43/55/592194355.db2.gz PJMLIIJZXRXARB-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCCCCC1)c1ncco1 ZINC000886274257 592194692 /nfs/dbraw/zinc/19/46/92/592194692.db2.gz PJMLIIJZXRXARB-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ncco1 ZINC000886274365 592194749 /nfs/dbraw/zinc/19/47/49/592194749.db2.gz RGYZNRXGPOWYES-NEPJUHHUSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ncco1 ZINC000886274366 592194887 /nfs/dbraw/zinc/19/48/87/592194887.db2.gz RGYZNRXGPOWYES-NWDGAFQWSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ncco1 ZINC000886274367 592194645 /nfs/dbraw/zinc/19/46/45/592194645.db2.gz RGYZNRXGPOWYES-RYUDHWBXSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ncco1 ZINC000886274368 592194988 /nfs/dbraw/zinc/19/49/88/592194988.db2.gz RGYZNRXGPOWYES-VXGBXAGGSA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1ncco1)c1ccccc1 ZINC000886274638 592194867 /nfs/dbraw/zinc/19/48/67/592194867.db2.gz XZZRBALQPBCPNC-CHWSQXEVSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1ncco1)c1ccccc1 ZINC000886274639 592194733 /nfs/dbraw/zinc/19/47/33/592194733.db2.gz XZZRBALQPBCPNC-OLZOCXBDSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1ncco1)c1ccccc1 ZINC000886274640 592194705 /nfs/dbraw/zinc/19/47/05/592194705.db2.gz XZZRBALQPBCPNC-QWHCGFSZSA-N 1 0 244.338 3.519 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1ncco1)c1ccccc1 ZINC000886274641 592194530 /nfs/dbraw/zinc/19/45/30/592194530.db2.gz XZZRBALQPBCPNC-STQMWFEESA-N 1 0 244.338 3.519 20 0 BHADRO CCCC1CCC([NH2+][C@@H](C)c2ncco2)CC1 ZINC000886275843 592195867 /nfs/dbraw/zinc/19/58/67/592195867.db2.gz OEYNBRIDMRUUPW-HIFPTAJRSA-N 1 0 236.359 3.684 20 0 BHADRO CCCC1CCC([NH2+][C@H](C)c2ncco2)CC1 ZINC000886275844 592195894 /nfs/dbraw/zinc/19/58/94/592195894.db2.gz OEYNBRIDMRUUPW-PNESKVBLSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H]1CC(F)(F)CC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000886300591 592202763 /nfs/dbraw/zinc/20/27/63/592202763.db2.gz LKZPVGSSSFDABE-RTXFEEFZSA-N 1 0 243.341 3.542 20 0 BHADRO C[C@H]1CC(F)(F)CC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000886300592 585120121 /nfs/dbraw/zinc/12/01/21/585120121.db2.gz LKZPVGSSSFDABE-UHTWSYAYSA-N 1 0 243.341 3.542 20 0 BHADRO c1nc(C2CC2)c(C[NH2+]C2CCC=CCC2)s1 ZINC000886376528 592221262 /nfs/dbraw/zinc/22/12/62/592221262.db2.gz BVROIHBRBAMHBB-UHFFFAOYSA-N 1 0 248.395 3.609 20 0 BHADRO c1nc(C2CC2)sc1C[NH2+]C1CCC=CCC1 ZINC000886376569 592221713 /nfs/dbraw/zinc/22/17/13/592221713.db2.gz HRRZDOXSHDVORI-UHFFFAOYSA-N 1 0 248.395 3.609 20 0 BHADRO CSc1ccc(C[NH2+]C2CCC=CCC2)o1 ZINC000886376782 592221542 /nfs/dbraw/zinc/22/15/42/592221542.db2.gz ZQWPAISLEYSBEU-UHFFFAOYSA-N 1 0 237.368 3.590 20 0 BHADRO c1c2ccccc2[nH]c1C[NH2+]C1(C2CC2)CCC1 ZINC000886391991 592222808 /nfs/dbraw/zinc/22/28/08/592222808.db2.gz MRNQALLKHUWRLT-UHFFFAOYSA-N 1 0 240.350 3.590 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000886533171 592249209 /nfs/dbraw/zinc/24/92/09/592249209.db2.gz WEBSPDLCZHQHIX-AGIUHOORSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000886533172 592249465 /nfs/dbraw/zinc/24/94/65/592249465.db2.gz WEBSPDLCZHQHIX-FRRDWIJNSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000886533173 592248757 /nfs/dbraw/zinc/24/87/57/592248757.db2.gz WEBSPDLCZHQHIX-JHJVBQTASA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000886533174 592249055 /nfs/dbraw/zinc/24/90/55/592249055.db2.gz WEBSPDLCZHQHIX-UPJWGTAASA-N 1 0 236.359 3.542 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@H](C)c1ncco1 ZINC000886538319 592252334 /nfs/dbraw/zinc/25/23/34/592252334.db2.gz GDFJNDMUMCBECY-NEPJUHHUSA-N 1 0 224.348 3.542 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ncco1 ZINC000886538320 592252013 /nfs/dbraw/zinc/25/20/13/592252013.db2.gz GDFJNDMUMCBECY-NWDGAFQWSA-N 1 0 224.348 3.542 20 0 BHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)c1ncco1 ZINC000886538321 592252289 /nfs/dbraw/zinc/25/22/89/592252289.db2.gz GDFJNDMUMCBECY-RYUDHWBXSA-N 1 0 224.348 3.542 20 0 BHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)c1ncco1 ZINC000886538322 592253077 /nfs/dbraw/zinc/25/30/77/592253077.db2.gz GDFJNDMUMCBECY-VXGBXAGGSA-N 1 0 224.348 3.542 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1ncco1)C1CCCCC1 ZINC000886538689 592252555 /nfs/dbraw/zinc/25/25/55/592252555.db2.gz MGWRCWLZNITFRQ-NEPJUHHUSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1ncco1)C1CCCCC1 ZINC000886538690 592252975 /nfs/dbraw/zinc/25/29/75/592252975.db2.gz MGWRCWLZNITFRQ-NWDGAFQWSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1ncco1)C1CCCCC1 ZINC000886538691 592252634 /nfs/dbraw/zinc/25/26/34/592252634.db2.gz MGWRCWLZNITFRQ-RYUDHWBXSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1ncco1 ZINC000886538692 592252191 /nfs/dbraw/zinc/25/21/91/592252191.db2.gz MGWRCWLZNITFRQ-VXGBXAGGSA-N 1 0 236.359 3.542 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000886545929 592257329 /nfs/dbraw/zinc/25/73/29/592257329.db2.gz VHZVJVSHZQGXAI-BMFZPTHFSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000886545930 592256807 /nfs/dbraw/zinc/25/68/07/592256807.db2.gz VHZVJVSHZQGXAI-BPUTZDHNSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000886545931 592256976 /nfs/dbraw/zinc/25/69/76/592256976.db2.gz VHZVJVSHZQGXAI-IMJJTQAJSA-N 1 0 247.382 3.685 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC000886545932 592257382 /nfs/dbraw/zinc/25/73/82/592257382.db2.gz VHZVJVSHZQGXAI-KBMXLJTQSA-N 1 0 247.382 3.685 20 0 BHADRO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](C1CCCC1)C2 ZINC000886617258 592275724 /nfs/dbraw/zinc/27/57/24/592275724.db2.gz IRGJGAGDNGMNDW-JQWIXIFHSA-N 1 0 247.304 3.593 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000886617749 592277608 /nfs/dbraw/zinc/27/76/08/592277608.db2.gz XQZJKIUBBWSBPB-DZGCQCFKSA-N 1 0 244.382 3.793 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000886617750 592278015 /nfs/dbraw/zinc/27/80/15/592278015.db2.gz XQZJKIUBBWSBPB-HIFRSBDPSA-N 1 0 244.382 3.793 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000886617751 592277234 /nfs/dbraw/zinc/27/72/34/592277234.db2.gz XQZJKIUBBWSBPB-UKRRQHHQSA-N 1 0 244.382 3.793 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000886617752 592277205 /nfs/dbraw/zinc/27/72/05/592277205.db2.gz XQZJKIUBBWSBPB-ZFWWWQNUSA-N 1 0 244.382 3.793 20 0 BHADRO CO[C@H]1CCC[C@H]([NH2+]C2(CC(C)C)CC2)CC1 ZINC000886640208 592286404 /nfs/dbraw/zinc/28/64/04/592286404.db2.gz UMNBZJAKNGUCTG-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@H]1CCC[C@@H]([NH2+]C2(CC(C)C)CC2)CC1 ZINC000886640209 592286545 /nfs/dbraw/zinc/28/65/45/592286545.db2.gz UMNBZJAKNGUCTG-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@H]([NH2+]C2(CC(C)C)CC2)CC1 ZINC000886640210 592286430 /nfs/dbraw/zinc/28/64/30/592286430.db2.gz UMNBZJAKNGUCTG-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CO[C@@H]1CCC[C@@H]([NH2+]C2(CC(C)C)CC2)CC1 ZINC000886640211 592285579 /nfs/dbraw/zinc/28/55/79/592285579.db2.gz UMNBZJAKNGUCTG-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC(CCC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682710 592301244 /nfs/dbraw/zinc/30/12/44/592301244.db2.gz NRJUPBIGYBWVIY-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682955 592302896 /nfs/dbraw/zinc/30/28/96/592302896.db2.gz TYNXVUNPSXPBRR-GFCCVEGCSA-N 1 0 236.359 3.610 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682956 592302807 /nfs/dbraw/zinc/30/28/07/592302807.db2.gz TYNXVUNPSXPBRR-LBPRGKRZSA-N 1 0 236.359 3.610 20 0 BHADRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000886684859 592302467 /nfs/dbraw/zinc/30/24/67/592302467.db2.gz UVMRXMNHWKGKOT-CABCVRRESA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000886684860 592303116 /nfs/dbraw/zinc/30/31/16/592303116.db2.gz UVMRXMNHWKGKOT-GJZGRUSLSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000886684861 592301597 /nfs/dbraw/zinc/30/15/97/592301597.db2.gz UVMRXMNHWKGKOT-HUUCEWRRSA-N 1 0 248.370 3.610 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000886684862 592301396 /nfs/dbraw/zinc/30/13/96/592301396.db2.gz UVMRXMNHWKGKOT-LSDHHAIUSA-N 1 0 248.370 3.610 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C(C)(C)C(F)F ZINC000886693404 645890049 /nfs/dbraw/zinc/89/00/49/645890049.db2.gz AIAYVLUWJGJWBF-CSYMLDBXSA-N 1 0 245.357 3.548 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C(C)(C)C(F)F ZINC000886693405 645890139 /nfs/dbraw/zinc/89/01/39/645890139.db2.gz AIAYVLUWJGJWBF-LDMBFOFVSA-N 1 0 245.357 3.548 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C(C)(C)C(F)F ZINC000886693406 645890362 /nfs/dbraw/zinc/89/03/62/645890362.db2.gz AIAYVLUWJGJWBF-PZWNZHSQSA-N 1 0 245.357 3.548 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C(C)(C)C(F)F ZINC000886693407 645890131 /nfs/dbraw/zinc/89/01/31/645890131.db2.gz AIAYVLUWJGJWBF-WTPMCQDGSA-N 1 0 245.357 3.548 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000886694358 592305679 /nfs/dbraw/zinc/30/56/79/592305679.db2.gz ULSUYGHWQDRKIT-GCHJQGSQSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000886694359 592305820 /nfs/dbraw/zinc/30/58/20/592305820.db2.gz ULSUYGHWQDRKIT-MJDLHHQISA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000886694360 592305783 /nfs/dbraw/zinc/30/57/83/592305783.db2.gz ULSUYGHWQDRKIT-OSUNSFLBSA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000886694361 592304808 /nfs/dbraw/zinc/30/48/08/592304808.db2.gz ULSUYGHWQDRKIT-ZIQFBCGOSA-N 1 0 249.320 3.599 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000886774327 592319578 /nfs/dbraw/zinc/31/95/78/592319578.db2.gz LNUDISBIUCRDQG-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000886774328 592320394 /nfs/dbraw/zinc/32/03/94/592320394.db2.gz LNUDISBIUCRDQG-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@H](C)[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000886774329 592320872 /nfs/dbraw/zinc/32/08/72/592320872.db2.gz LNUDISBIUCRDQG-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC[C@@H](C)[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000886774330 592319619 /nfs/dbraw/zinc/31/96/19/592319619.db2.gz LNUDISBIUCRDQG-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000886774434 592319671 /nfs/dbraw/zinc/31/96/71/592319671.db2.gz NJKSZRXRSLNYAU-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCC(CC)[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000886774435 592320878 /nfs/dbraw/zinc/32/08/78/592320878.db2.gz NJKSZRXRSLNYAU-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]C2CCC=CCC2)cn1 ZINC000886812986 592335344 /nfs/dbraw/zinc/33/53/44/592335344.db2.gz AHWMTXCISVJVGE-CYBMUJFWSA-N 1 0 247.386 3.613 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]C2CCC=CCC2)cn1 ZINC000886812987 592334955 /nfs/dbraw/zinc/33/49/55/592334955.db2.gz AHWMTXCISVJVGE-ZDUSSCGKSA-N 1 0 247.386 3.613 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]C2CCC=CCC2)s1 ZINC000886813000 592335512 /nfs/dbraw/zinc/33/55/12/592335512.db2.gz ARNKJWZNNWNFJL-JTQLQIEISA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]C2CCC=CCC2)s1 ZINC000886813001 592334838 /nfs/dbraw/zinc/33/48/38/592334838.db2.gz ARNKJWZNNWNFJL-SNVBAGLBSA-N 1 0 236.384 3.601 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2CCC=CCC2)c(C)n1 ZINC000886813781 592335921 /nfs/dbraw/zinc/33/59/21/592335921.db2.gz VFAVFLDIJWAIOB-AWEZNQCLSA-N 1 0 244.382 3.848 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2CCC=CCC2)c(C)n1 ZINC000886813782 592336182 /nfs/dbraw/zinc/33/61/82/592336182.db2.gz VFAVFLDIJWAIOB-CQSZACIVSA-N 1 0 244.382 3.848 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC=CCC1 ZINC000886813895 592335187 /nfs/dbraw/zinc/33/51/87/592335187.db2.gz XBYIKKBNFLQDTJ-CYBMUJFWSA-N 1 0 230.355 3.539 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CCC=CCC1 ZINC000886813896 592336204 /nfs/dbraw/zinc/33/62/04/592336204.db2.gz XBYIKKBNFLQDTJ-ZDUSSCGKSA-N 1 0 230.355 3.539 20 0 BHADRO C[C@@H]([NH2+]C1CCC=CCC1)c1cccc(O)c1F ZINC000886815335 592336086 /nfs/dbraw/zinc/33/60/86/592336086.db2.gz BQLHLUPEGDFRQO-LLVKDONJSA-N 1 0 249.329 3.681 20 0 BHADRO C[C@H]([NH2+]C1CCC=CCC1)c1cccc(O)c1F ZINC000886815336 592336074 /nfs/dbraw/zinc/33/60/74/592336074.db2.gz BQLHLUPEGDFRQO-NSHDSACASA-N 1 0 249.329 3.681 20 0 BHADRO FC(F)C1CCC([NH2+]C2CCC=CCC2)CC1 ZINC000886815361 592335682 /nfs/dbraw/zinc/33/56/82/592335682.db2.gz CEZNCPJGWRIZJS-UHFFFAOYSA-N 1 0 243.341 3.899 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+]C2CCC=CCC2)c1 ZINC000886815416 592335147 /nfs/dbraw/zinc/33/51/47/592335147.db2.gz DIMYJKZGVJNVTB-CYBMUJFWSA-N 1 0 230.355 3.539 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C2CCC=CCC2)c1 ZINC000886815417 592336225 /nfs/dbraw/zinc/33/62/25/592336225.db2.gz DIMYJKZGVJNVTB-ZDUSSCGKSA-N 1 0 230.355 3.539 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1CCC=CCC1 ZINC000886815685 592338267 /nfs/dbraw/zinc/33/82/67/592338267.db2.gz IGLXTVQASDAFOU-CYBMUJFWSA-N 1 0 244.382 3.793 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1CCC=CCC1 ZINC000886815686 592338723 /nfs/dbraw/zinc/33/87/23/592338723.db2.gz IGLXTVQASDAFOU-ZDUSSCGKSA-N 1 0 244.382 3.793 20 0 BHADRO c1cnc2c(c1)[C@@H]([NH2+]C1CCC=CCC1)CCC2 ZINC000886815849 592337512 /nfs/dbraw/zinc/33/75/12/592337512.db2.gz KMIDKWPQGGPGRZ-INIZCTEOSA-N 1 0 242.366 3.547 20 0 BHADRO c1cnc2c(c1)[C@H]([NH2+]C1CCC=CCC1)CCC2 ZINC000886815850 592338552 /nfs/dbraw/zinc/33/85/52/592338552.db2.gz KMIDKWPQGGPGRZ-MRXNPFEDSA-N 1 0 242.366 3.547 20 0 BHADRO C[C@@H]([NH2+]C1CCC=CCC1)C1CCSCC1 ZINC000886815863 585178631 /nfs/dbraw/zinc/17/86/31/585178631.db2.gz KSEFZYDZWWMSBP-GFCCVEGCSA-N 1 0 239.428 3.607 20 0 BHADRO C[C@H]([NH2+]C1CCC=CCC1)C1CCSCC1 ZINC000886815864 585178763 /nfs/dbraw/zinc/17/87/63/585178763.db2.gz KSEFZYDZWWMSBP-LBPRGKRZSA-N 1 0 239.428 3.607 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C1CCC=CCC1 ZINC000886815889 592337228 /nfs/dbraw/zinc/33/72/28/592337228.db2.gz LFAVCCCLLCVIOI-JTQLQIEISA-N 1 0 235.293 3.806 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C1CCC=CCC1 ZINC000886815890 592337358 /nfs/dbraw/zinc/33/73/58/592337358.db2.gz LFAVCCCLLCVIOI-SNVBAGLBSA-N 1 0 235.293 3.806 20 0 BHADRO c1nc2c(s1)CCC[C@H]2[NH2+]C1CCC=CCC1 ZINC000886816392 592340894 /nfs/dbraw/zinc/34/08/94/592340894.db2.gz SHTQLSOISAKDIM-GFCCVEGCSA-N 1 0 248.395 3.609 20 0 BHADRO c1nc2c(s1)CCC[C@@H]2[NH2+]C1CCC=CCC1 ZINC000886816393 592340335 /nfs/dbraw/zinc/34/03/35/592340335.db2.gz SHTQLSOISAKDIM-LBPRGKRZSA-N 1 0 248.395 3.609 20 0 BHADRO CC[C@H]([NH2+]C1CCC=CCC1)c1ccncc1 ZINC000886816754 592339420 /nfs/dbraw/zinc/33/94/20/592339420.db2.gz YAGUYLAKKJMBJK-HNNXBMFYSA-N 1 0 230.355 3.621 20 0 BHADRO CC[C@@H]([NH2+]C1CCC=CCC1)c1ccncc1 ZINC000886816755 592339184 /nfs/dbraw/zinc/33/91/84/592339184.db2.gz YAGUYLAKKJMBJK-OAHLLOKOSA-N 1 0 230.355 3.621 20 0 BHADRO FC(F)C1CCC([NH2+]C2(C3CC3)CCC2)CC1 ZINC000886824479 592347367 /nfs/dbraw/zinc/34/73/67/592347367.db2.gz AHTFXJIHGBJIRT-UHFFFAOYSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cccc(O)c1F ZINC000886824549 592346611 /nfs/dbraw/zinc/34/66/11/592346611.db2.gz BNCGRHYFNDAEGZ-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cccc(O)c1F ZINC000886824550 592346707 /nfs/dbraw/zinc/34/67/07/592346707.db2.gz BNCGRHYFNDAEGZ-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cccs1 ZINC000886824628 592347583 /nfs/dbraw/zinc/34/75/83/592347583.db2.gz CXGNXNXOSMJGIN-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cccs1 ZINC000886824629 592346632 /nfs/dbraw/zinc/34/66/32/592346632.db2.gz CXGNXNXOSMJGIN-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO c1cc2c(o1)CCC[C@H]2[NH2+]C1(C2CC2)CCC1 ZINC000886824705 592347372 /nfs/dbraw/zinc/34/73/72/592347372.db2.gz FMIBBPHXLCLGDE-CYBMUJFWSA-N 1 0 231.339 3.579 20 0 BHADRO c1cc2c(o1)CCC[C@@H]2[NH2+]C1(C2CC2)CCC1 ZINC000886824706 592346738 /nfs/dbraw/zinc/34/67/38/592346738.db2.gz FMIBBPHXLCLGDE-ZDUSSCGKSA-N 1 0 231.339 3.579 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccsc1 ZINC000886824788 592347671 /nfs/dbraw/zinc/34/76/71/592347671.db2.gz GTZGIZKAZAYWMU-JTQLQIEISA-N 1 0 221.369 3.731 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccsc1 ZINC000886824789 592347403 /nfs/dbraw/zinc/34/74/03/592347403.db2.gz GTZGIZKAZAYWMU-SNVBAGLBSA-N 1 0 221.369 3.731 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C1(C2CC2)CCC1 ZINC000886824933 592348483 /nfs/dbraw/zinc/34/84/83/592348483.db2.gz JLSHIVYKEWTNOC-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]C1(C2CC2)CCC1 ZINC000886824934 592348270 /nfs/dbraw/zinc/34/82/70/592348270.db2.gz JLSHIVYKEWTNOC-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CCC2)o1 ZINC000886825054 585180749 /nfs/dbraw/zinc/18/07/49/585180749.db2.gz LLNNCCHLGRQDSZ-LLVKDONJSA-N 1 0 219.328 3.571 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CCC2)o1 ZINC000886825055 585180765 /nfs/dbraw/zinc/18/07/65/585180765.db2.gz LLNNCCHLGRQDSZ-NSHDSACASA-N 1 0 219.328 3.571 20 0 BHADRO C[C@H](CCc1ccco1)[NH2+]C1(C2CC2)CCC1 ZINC000886825088 592349101 /nfs/dbraw/zinc/34/91/01/592349101.db2.gz MJSVZHGSQHFIDH-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](CCc1ccco1)[NH2+]C1(C2CC2)CCC1 ZINC000886825089 592349067 /nfs/dbraw/zinc/34/90/67/592349067.db2.gz MJSVZHGSQHFIDH-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C1(C2CC2)CCC1 ZINC000886825130 585180722 /nfs/dbraw/zinc/18/07/22/585180722.db2.gz MXAKAEZFZPLFNX-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C1(C2CC2)CCC1 ZINC000886825131 585180707 /nfs/dbraw/zinc/18/07/07/585180707.db2.gz MXAKAEZFZPLFNX-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cc(O)ccc1F ZINC000886825202 592348982 /nfs/dbraw/zinc/34/89/82/592348982.db2.gz OOMTURBCCYRFKL-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cc(O)ccc1F ZINC000886825203 592348930 /nfs/dbraw/zinc/34/89/30/592348930.db2.gz OOMTURBCCYRFKL-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H](Cc1cccs1)[NH2+]C1(C2CC2)CCC1 ZINC000886825321 592348778 /nfs/dbraw/zinc/34/87/78/592348778.db2.gz QOPUWARECCWQTD-LLVKDONJSA-N 1 0 235.396 3.601 20 0 BHADRO C[C@@H](Cc1cccs1)[NH2+]C1(C2CC2)CCC1 ZINC000886825322 592349017 /nfs/dbraw/zinc/34/90/17/592349017.db2.gz QOPUWARECCWQTD-NSHDSACASA-N 1 0 235.396 3.601 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]C1(C2CC2)CCC1 ZINC000886825420 592349206 /nfs/dbraw/zinc/34/92/06/592349206.db2.gz SOVUUTCMCYHNIL-GFCCVEGCSA-N 1 0 244.382 3.627 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]C1(C2CC2)CCC1 ZINC000886825421 592348991 /nfs/dbraw/zinc/34/89/91/592348991.db2.gz SOVUUTCMCYHNIL-LBPRGKRZSA-N 1 0 244.382 3.627 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CCC2)c(C)n1 ZINC000886825426 592348424 /nfs/dbraw/zinc/34/84/24/592348424.db2.gz STDFBTVTVAKSRI-CYBMUJFWSA-N 1 0 244.382 3.682 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CCC2)c(C)n1 ZINC000886825427 592349003 /nfs/dbraw/zinc/34/90/03/592349003.db2.gz STDFBTVTVAKSRI-ZDUSSCGKSA-N 1 0 244.382 3.682 20 0 BHADRO CC(C)([NH2+]CCCCF)c1ccc(F)cc1F ZINC000886898273 592391945 /nfs/dbraw/zinc/39/19/45/592391945.db2.gz WZXDYYBETMNIEU-UHFFFAOYSA-N 1 0 245.288 3.539 20 0 BHADRO FCCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000886922917 592397692 /nfs/dbraw/zinc/39/76/92/592397692.db2.gz FBRQZQYCVLBPSL-AWEZNQCLSA-N 1 0 239.309 3.542 20 0 BHADRO FCCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928589 592397037 /nfs/dbraw/zinc/39/70/37/592397037.db2.gz FBRQZQYCVLBPSL-CQSZACIVSA-N 1 0 239.309 3.542 20 0 BHADRO C[N@H+](CCCF)Cc1cc2ccccc2s1 ZINC000887141323 592457868 /nfs/dbraw/zinc/45/78/68/592457868.db2.gz OKVFKXNNYMEGBY-UHFFFAOYSA-N 1 0 237.343 3.693 20 0 BHADRO c1cc(CCC[NH2+]C2(C3CC3)CCC2)cs1 ZINC000887147217 592461005 /nfs/dbraw/zinc/46/10/05/592461005.db2.gz CUPPUTTVTBXRBN-UHFFFAOYSA-N 1 0 235.396 3.603 20 0 BHADRO FCc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1 ZINC000887147314 592461300 /nfs/dbraw/zinc/46/13/00/592461300.db2.gz HRDWLFAJJDKXIJ-UHFFFAOYSA-N 1 0 233.330 3.578 20 0 BHADRO FC(F)(F)CCCC[NH2+]C1(C2CC2)CCC1 ZINC000887147468 592460824 /nfs/dbraw/zinc/46/08/24/592460824.db2.gz OGCMXAUXKKMJRF-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO CC(C)(C)OCCCC[NH2+]C1(C2CC2)CCC1 ZINC000887148517 645894492 /nfs/dbraw/zinc/89/44/92/645894492.db2.gz GRCOWWSAKROBHG-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+]C1(C2CC2)CCC1 ZINC000887148542 645894753 /nfs/dbraw/zinc/89/47/53/645894753.db2.gz IRXQVHIZCXHVNN-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+]C1(C2CC2)CCC1 ZINC000887148543 645894064 /nfs/dbraw/zinc/89/40/64/645894064.db2.gz IRXQVHIZCXHVNN-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CC[NH+](CC)Cc1ccc(C(F)F)c(F)c1 ZINC000891438321 582685438 /nfs/dbraw/zinc/68/54/38/582685438.db2.gz JHODCCQTVBNXEW-UHFFFAOYSA-N 1 0 231.261 3.605 20 0 BHADRO CCC[NH+](CCC)Cc1nc(C(C)(C)C)co1 ZINC000891449306 582688755 /nfs/dbraw/zinc/68/87/55/582688755.db2.gz SGGGUJONBAYLLO-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CC(C)[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891452489 631364862 /nfs/dbraw/zinc/36/48/62/631364862.db2.gz ZJMXERZMBORJIH-UHFFFAOYSA-N 1 0 231.261 3.604 20 0 BHADRO CCCC[N@H+](CC)Cc1nc(C(C)(C)C)co1 ZINC000891457787 631369978 /nfs/dbraw/zinc/36/99/78/631369978.db2.gz ZLUPDJBRDNXSIJ-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CCC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891578118 582698104 /nfs/dbraw/zinc/69/81/04/582698104.db2.gz ITXZUGVLWWAJCU-UHFFFAOYSA-N 1 0 231.261 3.605 20 0 BHADRO CCCCC[N@H+](Cc1nccn1C1CC1)C(C)C ZINC000891623950 631418553 /nfs/dbraw/zinc/41/85/53/631418553.db2.gz STLPHTXGHYNYFB-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891624976 631418418 /nfs/dbraw/zinc/41/84/18/631418418.db2.gz JHESPHGUEDNILV-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000891624977 631416687 /nfs/dbraw/zinc/41/66/87/631416687.db2.gz JHESPHGUEDNILV-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO COC1CCC(C[N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000891671866 582708193 /nfs/dbraw/zinc/70/81/93/582708193.db2.gz UKWPIAFBLYYWDE-HSBZDZAISA-N 1 0 241.419 3.558 20 0 BHADRO COC1CCC(C[N@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000891671868 582708598 /nfs/dbraw/zinc/70/85/98/582708598.db2.gz UKWPIAFBLYYWDE-IYXRBSQSSA-N 1 0 241.419 3.558 20 0 BHADRO Cc1noc(C)c1C[N@@H+](C)CCCCC(C)C ZINC000891699837 631454802 /nfs/dbraw/zinc/45/48/02/631454802.db2.gz MZHDNTIPFLZTFE-UHFFFAOYSA-N 1 0 238.375 3.550 20 0 BHADRO C[N@@H+](Cc1ccc(C(F)F)c(F)c1)CC1CC1 ZINC000891737202 582715522 /nfs/dbraw/zinc/71/55/22/582715522.db2.gz XOBPTNVTXYDCSM-UHFFFAOYSA-N 1 0 243.272 3.605 20 0 BHADRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891797076 582723352 /nfs/dbraw/zinc/72/33/52/582723352.db2.gz HUABEPDOKHXOML-SECBINFHSA-N 1 0 243.272 3.605 20 0 BHADRO C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891797077 582723400 /nfs/dbraw/zinc/72/34/00/582723400.db2.gz HUABEPDOKHXOML-VIFPVBQESA-N 1 0 243.272 3.605 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000892003689 582759133 /nfs/dbraw/zinc/75/91/33/582759133.db2.gz CVGPPZDQLSFLJH-UHFFFAOYSA-N 1 0 238.375 3.593 20 0 BHADRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000892019241 582762606 /nfs/dbraw/zinc/76/26/06/582762606.db2.gz IWFIFXLDDUYGOB-SECBINFHSA-N 1 0 243.272 3.748 20 0 BHADRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000892019242 582762750 /nfs/dbraw/zinc/76/27/50/582762750.db2.gz IWFIFXLDDUYGOB-VIFPVBQESA-N 1 0 243.272 3.748 20 0 BHADRO CC1(C)CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000892058558 582779302 /nfs/dbraw/zinc/77/93/02/582779302.db2.gz YMQSYQJAXBMOIJ-UHFFFAOYSA-N 1 0 243.272 3.748 20 0 BHADRO COCCCC1(C[NH2+]C2CCCCC2)CCC1 ZINC000892401893 582876962 /nfs/dbraw/zinc/87/69/62/582876962.db2.gz IMNHMEHKWFFDLK-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1nn(C(C)C)c(C)c1C[NH2+]C1CCCCC1 ZINC000892403038 582876999 /nfs/dbraw/zinc/87/69/99/582876999.db2.gz XQYRDEPSUAWRED-UHFFFAOYSA-N 1 0 249.402 3.503 20 0 BHADRO CC(C)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892427255 582884132 /nfs/dbraw/zinc/88/41/32/582884132.db2.gz ZUYHJHMIQBVMDX-UHFFFAOYSA-N 1 0 231.261 3.509 20 0 BHADRO CC[C@H](C)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892429895 582885681 /nfs/dbraw/zinc/88/56/81/582885681.db2.gz UDPWVPZVYDOOLD-BMQDGWLCSA-N 1 0 239.309 3.599 20 0 BHADRO CC[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892429896 582885930 /nfs/dbraw/zinc/88/59/30/582885930.db2.gz UDPWVPZVYDOOLD-GRZMOONWSA-N 1 0 239.309 3.599 20 0 BHADRO CC[C@@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892430067 582885234 /nfs/dbraw/zinc/88/52/34/582885234.db2.gz ZSFXFTBQBUBCIN-MRVPVSSYSA-N 1 0 231.261 3.651 20 0 BHADRO CC[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892430068 582884898 /nfs/dbraw/zinc/88/48/98/582884898.db2.gz ZSFXFTBQBUBCIN-QMMMGPOBSA-N 1 0 231.261 3.651 20 0 BHADRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000892432665 582886613 /nfs/dbraw/zinc/88/66/13/582886613.db2.gz OHBLTGKTAUOTTA-GFCCVEGCSA-N 1 0 245.322 3.529 20 0 BHADRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000892432667 582886137 /nfs/dbraw/zinc/88/61/37/582886137.db2.gz OHBLTGKTAUOTTA-LBPRGKRZSA-N 1 0 245.322 3.529 20 0 BHADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000892449044 632724232 /nfs/dbraw/zinc/72/42/32/632724232.db2.gz KSNOXPVSAZCEAI-MRVPVSSYSA-N 1 0 243.272 3.651 20 0 BHADRO COC1CCC(C[NH2+]C2(C)CCCCC2)CC1 ZINC000892459447 632730986 /nfs/dbraw/zinc/73/09/86/632730986.db2.gz CBZLERVUDCCDAA-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCc1onc(C)c1C[NH2+]CCC1=CCCCC1 ZINC000892478287 582894826 /nfs/dbraw/zinc/89/48/26/582894826.db2.gz HADFODOCDGMFEW-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Cc1cc(C[NH2+]CCC2=CCCCC2)cnc1F ZINC000892478731 582895616 /nfs/dbraw/zinc/89/56/16/582895616.db2.gz PHJBAVCWXDXHIL-UHFFFAOYSA-N 1 0 248.345 3.509 20 0 BHADRO Cc1cc(F)ncc1C[NH2+]CCC1=CCCCC1 ZINC000892479127 582895435 /nfs/dbraw/zinc/89/54/35/582895435.db2.gz XMDZZGHRKWJODC-UHFFFAOYSA-N 1 0 248.345 3.509 20 0 BHADRO CCCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892479550 582895834 /nfs/dbraw/zinc/89/58/34/582895834.db2.gz GMHXTTQZDPBJPL-UHFFFAOYSA-N 1 0 231.261 3.653 20 0 BHADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892569953 582916189 /nfs/dbraw/zinc/91/61/89/582916189.db2.gz DSMLVBKJYZVJNL-PSASIEDQSA-N 1 0 243.272 3.509 20 0 BHADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892569954 582916130 /nfs/dbraw/zinc/91/61/30/582916130.db2.gz DSMLVBKJYZVJNL-SCZZXKLOSA-N 1 0 243.272 3.509 20 0 BHADRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892569955 582916215 /nfs/dbraw/zinc/91/62/15/582916215.db2.gz DSMLVBKJYZVJNL-WCBMZHEXSA-N 1 0 243.272 3.509 20 0 BHADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892569956 582916230 /nfs/dbraw/zinc/91/62/30/582916230.db2.gz DSMLVBKJYZVJNL-WPRPVWTQSA-N 1 0 243.272 3.509 20 0 BHADRO CC(C)(C)CCCC[NH2+]Cc1nccn1C1CC1 ZINC000892916964 583009102 /nfs/dbraw/zinc/00/91/02/583009102.db2.gz NLZNIZUYCZAHGV-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO Fc1ccc(C2CC([NH2+]C3CC=CC3)C2)c(F)c1 ZINC000893131932 583054652 /nfs/dbraw/zinc/05/46/52/583054652.db2.gz ITTCWUPEVZOWGP-UHFFFAOYSA-N 1 0 249.304 3.519 20 0 BHADRO Fc1cc(C[NH2+]C2CC=CC2)ccc1C(F)F ZINC000893132821 583054626 /nfs/dbraw/zinc/05/46/26/583054626.db2.gz UVNFWBXYCSHBCS-UHFFFAOYSA-N 1 0 241.256 3.572 20 0 BHADRO CC(C)(C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893330618 583105265 /nfs/dbraw/zinc/10/52/65/583105265.db2.gz LBJMROJSZGLABK-UHFFFAOYSA-N 1 0 231.261 3.651 20 0 BHADRO CC1([NH2+]Cc2ccc(C(F)F)c(F)c2)CCC1 ZINC000893384471 583133773 /nfs/dbraw/zinc/13/37/73/583133773.db2.gz QRZGZFWKCVDDJL-UHFFFAOYSA-N 1 0 243.272 3.796 20 0 BHADRO Cc1coc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000893863022 583233328 /nfs/dbraw/zinc/23/33/28/583233328.db2.gz BJEVGCSUBHFCEM-HNNXBMFYSA-N 1 0 227.307 3.535 20 0 BHADRO Cc1coc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000893863025 583233237 /nfs/dbraw/zinc/23/32/37/583233237.db2.gz BJEVGCSUBHFCEM-OAHLLOKOSA-N 1 0 227.307 3.535 20 0 BHADRO CC(C)c1c[nH]c(C[N@@H+]([C@H](C)C(C)C)C2CC2)n1 ZINC000893872361 583237853 /nfs/dbraw/zinc/23/78/53/583237853.db2.gz RTOZUOXXHBFXCS-GFCCVEGCSA-N 1 0 249.402 3.542 20 0 BHADRO CC(C)c1c[nH]c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)n1 ZINC000893872364 583237181 /nfs/dbraw/zinc/23/71/81/583237181.db2.gz RTOZUOXXHBFXCS-LBPRGKRZSA-N 1 0 249.402 3.542 20 0 BHADRO Cc1ncoc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000893880275 583239804 /nfs/dbraw/zinc/23/98/04/583239804.db2.gz HTBFDAFMGOYBPG-UHFFFAOYSA-N 1 0 236.359 3.526 20 0 BHADRO Cc1n[nH]c(C[N@@H+](C(C)C)C2CCCCC2)c1C ZINC000893883770 583240721 /nfs/dbraw/zinc/24/07/21/583240721.db2.gz ZDPMMEJVIWDSEL-UHFFFAOYSA-N 1 0 249.402 3.570 20 0 BHADRO Cc1coc(C[N@@H+](Cc2ccco2)C(C)C)c1 ZINC000893927162 583249360 /nfs/dbraw/zinc/24/93/60/583249360.db2.gz BZRPQWODJCAUQN-UHFFFAOYSA-N 1 0 233.311 3.592 20 0 BHADRO Cc1ncoc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000893929391 583250725 /nfs/dbraw/zinc/25/07/25/583250725.db2.gz QBXUHQZPTOYLCL-UHFFFAOYSA-N 1 0 248.370 3.526 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000893944025 583256295 /nfs/dbraw/zinc/25/62/95/583256295.db2.gz MTNWGKDJQBTCIK-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000893944026 583256346 /nfs/dbraw/zinc/25/63/46/583256346.db2.gz MTNWGKDJQBTCIK-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1coc(C[N@@H+](C)[C@H](C)c2cccs2)c1 ZINC000893947227 583258650 /nfs/dbraw/zinc/25/86/50/583258650.db2.gz UYSQNQUGTSSERE-LLVKDONJSA-N 1 0 235.352 3.843 20 0 BHADRO Cc1coc(C[N@@H+](C)[C@@H](C)c2cccs2)c1 ZINC000893947228 583258699 /nfs/dbraw/zinc/25/86/99/583258699.db2.gz UYSQNQUGTSSERE-NSHDSACASA-N 1 0 235.352 3.843 20 0 BHADRO Cc1ncoc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000893966402 583263909 /nfs/dbraw/zinc/26/39/09/583263909.db2.gz AHPPNNZZYZTORW-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO COCCCC1(C[NH2+]CCC=C(C)C)CCC1 ZINC000893982065 583266224 /nfs/dbraw/zinc/26/62/24/583266224.db2.gz RGYUKQZSLQXESQ-UHFFFAOYSA-N 1 0 239.403 3.529 20 0 BHADRO Cc1ncoc1C[N@@H+](C)C1CCCCCCC1 ZINC000893985921 583269181 /nfs/dbraw/zinc/26/91/81/583269181.db2.gz FLNBTJYHPABXSM-UHFFFAOYSA-N 1 0 236.359 3.528 20 0 BHADRO Cc1ncoc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000893993196 583268130 /nfs/dbraw/zinc/26/81/30/583268130.db2.gz CEKDNCBWJDIPSV-UHFFFAOYSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ncoc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000893994177 583268061 /nfs/dbraw/zinc/26/80/61/583268061.db2.gz JNWGYSJYMCDYMG-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)n1 ZINC000893995513 583268100 /nfs/dbraw/zinc/26/81/00/583268100.db2.gz MSIFYAOTZXPCIX-CYBMUJFWSA-N 1 0 249.402 3.544 20 0 BHADRO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@H]2C(C)(C)C)n1 ZINC000893995514 583267063 /nfs/dbraw/zinc/26/70/63/583267063.db2.gz MSIFYAOTZXPCIX-ZDUSSCGKSA-N 1 0 249.402 3.544 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1ccc(SC)o1 ZINC000894018940 583273517 /nfs/dbraw/zinc/27/35/17/583273517.db2.gz JQENFCZEXNQGBC-UHFFFAOYSA-N 1 0 227.373 3.622 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000894021767 583275104 /nfs/dbraw/zinc/27/51/04/583275104.db2.gz VUWBIMWHZNFKTC-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO C[N@H+](Cc1cc2c(cccc2O)s1)C1CCC1 ZINC000894032456 583276525 /nfs/dbraw/zinc/27/65/25/583276525.db2.gz JFVLMZPIOWXPLX-UHFFFAOYSA-N 1 0 247.363 3.591 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1cccc(O)c1 ZINC000894034471 583278926 /nfs/dbraw/zinc/27/89/26/583278926.db2.gz OWQVWMUGOSFBIX-GFCCVEGCSA-N 1 0 245.366 3.766 20 0 BHADRO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)c1cccc(O)c1 ZINC000894034924 583278207 /nfs/dbraw/zinc/27/82/07/583278207.db2.gz QPPNUYKUXDDMLX-MRVWCRGKSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1cccc(O)c1 ZINC000894034925 583278568 /nfs/dbraw/zinc/27/85/68/583278568.db2.gz QPPNUYKUXDDMLX-REBRKWNGSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)c1cccc(O)c1 ZINC000894034926 583278110 /nfs/dbraw/zinc/27/81/10/583278110.db2.gz QPPNUYKUXDDMLX-XBFCOCLRSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCC2)c1cccc(O)c1 ZINC000894053822 583289946 /nfs/dbraw/zinc/28/99/46/583289946.db2.gz OWQVWMUGOSFBIX-LBPRGKRZSA-N 1 0 245.366 3.766 20 0 BHADRO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)c1cccc(O)c1 ZINC000894053871 583289698 /nfs/dbraw/zinc/28/96/98/583289698.db2.gz QPPNUYKUXDDMLX-IACUBPJLSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1cccc(O)c1 ZINC000894053872 583290095 /nfs/dbraw/zinc/29/00/95/583290095.db2.gz QPPNUYKUXDDMLX-MHEUCROKSA-N 1 0 245.366 3.622 20 0 BHADRO C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)c1cccc(O)c1 ZINC000894053873 583289823 /nfs/dbraw/zinc/28/98/23/583289823.db2.gz QPPNUYKUXDDMLX-UBHSHLNASA-N 1 0 245.366 3.622 20 0 BHADRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ocnc1C ZINC000894093858 583300014 /nfs/dbraw/zinc/30/00/14/583300014.db2.gz IWFDMKIYPSVBJD-CYBMUJFWSA-N 1 0 236.359 3.528 20 0 BHADRO CCCCC[C@H]1CCC[N@@H+]1Cc1ocnc1C ZINC000894093860 583300072 /nfs/dbraw/zinc/30/00/72/583300072.db2.gz IWFDMKIYPSVBJD-ZDUSSCGKSA-N 1 0 236.359 3.528 20 0 BHADRO CC(C)CCCC[NH2+]C(C)(C)C1CCOCC1 ZINC000894100793 583304830 /nfs/dbraw/zinc/30/48/30/583304830.db2.gz ARNJXICAQNCDEZ-UHFFFAOYSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H]([NH2+]Cc1ocnc1C)c1ccccc1 ZINC000894140730 583317155 /nfs/dbraw/zinc/31/71/55/583317155.db2.gz AAJTZXKRRQVJSJ-AWEZNQCLSA-N 1 0 244.338 3.614 20 0 BHADRO CCC[C@@H]([NH2+]Cc1ocnc1C)c1ccccc1 ZINC000894140731 583316943 /nfs/dbraw/zinc/31/69/43/583316943.db2.gz AAJTZXKRRQVJSJ-CQSZACIVSA-N 1 0 244.338 3.614 20 0 BHADRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000894141716 583316804 /nfs/dbraw/zinc/31/68/04/583316804.db2.gz ZKEHGKBYMUWILC-DTORHVGOSA-N 1 0 243.272 3.746 20 0 BHADRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C(F)F)c(F)c1 ZINC000894141717 583317221 /nfs/dbraw/zinc/31/72/21/583317221.db2.gz ZKEHGKBYMUWILC-IUCAKERBSA-N 1 0 243.272 3.746 20 0 BHADRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C(F)F)c(F)c1 ZINC000894141718 583316756 /nfs/dbraw/zinc/31/67/56/583316756.db2.gz ZKEHGKBYMUWILC-RKDXNWHRSA-N 1 0 243.272 3.746 20 0 BHADRO CC1([NH2+]Cc2nccc3ccccc32)CCCC1 ZINC000894153476 583319572 /nfs/dbraw/zinc/31/95/72/583319572.db2.gz YHHXUFOFVDKBQI-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CC1=C(C)CN(Cc2nc(C(C)(C)C)co2)CC1 ZINC000894193642 583333583 /nfs/dbraw/zinc/33/35/83/583333583.db2.gz GGFZLFKWZXNFNI-UHFFFAOYSA-N 1 0 248.370 3.514 20 0 BHADRO CCC(C)(C)[NH2+]Cc1nccc2ccccc21 ZINC000894211952 583377498 /nfs/dbraw/zinc/37/74/98/583377498.db2.gz VIXMKSYDNMFUEW-UHFFFAOYSA-N 1 0 228.339 3.513 20 0 BHADRO CCCC(C)(C)[NH2+]Cc1nccc2ccccc21 ZINC000894228546 583384169 /nfs/dbraw/zinc/38/41/69/583384169.db2.gz FMAZKSBHZXUZAJ-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CC(C)C(C)(C)[NH2+]Cc1nccc2ccccc21 ZINC000894229295 583384433 /nfs/dbraw/zinc/38/44/33/583384433.db2.gz NRFOOXPUUXUIBW-UHFFFAOYSA-N 1 0 242.366 3.759 20 0 BHADRO Cc1ncoc1C[NH2+]C(CC(C)C)CC(C)C ZINC000894234352 583385306 /nfs/dbraw/zinc/38/53/06/583385306.db2.gz GHSJQHBKJMIJBF-UHFFFAOYSA-N 1 0 238.375 3.533 20 0 BHADRO CCC(C)(CC)[NH2+]Cc1nccc2ccccc21 ZINC000894259587 583397809 /nfs/dbraw/zinc/39/78/09/583397809.db2.gz XULWREMWBBCISV-UHFFFAOYSA-N 1 0 242.366 3.903 20 0 BHADRO CC(C)([NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000894266182 583401874 /nfs/dbraw/zinc/40/18/74/583401874.db2.gz KETOGCMBEDGRDS-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1([NH2+]Cc2nccc3ccccc32)CCC1 ZINC000894323552 583422139 /nfs/dbraw/zinc/42/21/39/583422139.db2.gz NGMNDHSPOOGSCB-UHFFFAOYSA-N 1 0 240.350 3.657 20 0 BHADRO CCCCCC(C)(C)C[NH2+]Cc1ocnc1C ZINC000894352036 583433574 /nfs/dbraw/zinc/43/35/74/583433574.db2.gz JOJJXNLOPJDNEX-UHFFFAOYSA-N 1 0 238.375 3.679 20 0 BHADRO CC1([NH2+]Cc2cc3c(cccc3O)s2)CCC1 ZINC000894410934 583451857 /nfs/dbraw/zinc/45/18/57/583451857.db2.gz FUBVTOACUFONKR-UHFFFAOYSA-N 1 0 247.363 3.639 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@H](C)CC2)CCOCC1 ZINC000894414502 583453553 /nfs/dbraw/zinc/45/35/53/583453553.db2.gz MUEOXMHJCBJXDW-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@H]2CCC[C@@H](C)CC2)CCOCC1 ZINC000894414503 583453548 /nfs/dbraw/zinc/45/35/48/583453548.db2.gz MUEOXMHJCBJXDW-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@H](C)CC2)CCOCC1 ZINC000894414504 583453448 /nfs/dbraw/zinc/45/34/48/583453448.db2.gz MUEOXMHJCBJXDW-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCC1([NH2+][C@@H]2CCC[C@@H](C)CC2)CCOCC1 ZINC000894414505 583453551 /nfs/dbraw/zinc/45/35/51/583453551.db2.gz MUEOXMHJCBJXDW-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO Cc1ncoc1C[NH2+]CC(C)(C)C1=CCCCC1 ZINC000894487108 583471602 /nfs/dbraw/zinc/47/16/02/583471602.db2.gz GGMJPKVCHCUAPR-UHFFFAOYSA-N 1 0 248.370 3.599 20 0 BHADRO CCC(CC)[N@H+](CC)Cc1cnn(C2CCC2)c1 ZINC000894523724 583477599 /nfs/dbraw/zinc/47/75/99/583477599.db2.gz LNISMXJMBWBGPU-UHFFFAOYSA-N 1 0 249.402 3.619 20 0 BHADRO Cc1ncoc1C[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000894531949 711771709 /nfs/dbraw/zinc/77/17/09/711771709.db2.gz CSJLUMYHOMMJQN-LLVKDONJSA-N 1 0 238.375 3.535 20 0 BHADRO Cc1ncoc1C[NH2+]CC[C@H](C)CC(C)(C)C ZINC000894531950 711771745 /nfs/dbraw/zinc/77/17/45/711771745.db2.gz CSJLUMYHOMMJQN-NSHDSACASA-N 1 0 238.375 3.535 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000894557030 635907202 /nfs/dbraw/zinc/90/72/02/635907202.db2.gz RTODADPARZXXTO-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000894557031 635908198 /nfs/dbraw/zinc/90/81/98/635908198.db2.gz RTODADPARZXXTO-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO CCCC[C@@H](C)[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894557176 635907747 /nfs/dbraw/zinc/90/77/47/635907747.db2.gz XKDJNMHDVSYQDZ-CYBMUJFWSA-N 1 0 249.402 3.619 20 0 BHADRO CCCC[C@H](C)[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894557177 635908619 /nfs/dbraw/zinc/90/86/19/635908619.db2.gz XKDJNMHDVSYQDZ-ZDUSSCGKSA-N 1 0 249.402 3.619 20 0 BHADRO FCCCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894563890 635909975 /nfs/dbraw/zinc/90/99/75/635909975.db2.gz NHAYNZYVXCUISY-UHFFFAOYSA-N 1 0 249.251 3.603 20 0 BHADRO CC(C)c1c[nH]c(C[N@@H+](CC2CCC2)C(C)C)n1 ZINC000894573891 583486701 /nfs/dbraw/zinc/48/67/01/583486701.db2.gz JLILOVMXZLTSDJ-UHFFFAOYSA-N 1 0 249.402 3.544 20 0 BHADRO CCOc1ccc(C[NH+](C2CCC2)C2CCC2)o1 ZINC000894591437 583488412 /nfs/dbraw/zinc/48/84/12/583488412.db2.gz FHBFRVGMQJINTK-UHFFFAOYSA-N 1 0 249.354 3.585 20 0 BHADRO C[C@@H](F)CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894624974 583496609 /nfs/dbraw/zinc/49/66/09/583496609.db2.gz SAECVCKKYLIBRP-MRVPVSSYSA-N 1 0 249.251 3.601 20 0 BHADRO C[C@H](F)CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894624976 583496102 /nfs/dbraw/zinc/49/61/02/583496102.db2.gz SAECVCKKYLIBRP-QMMMGPOBSA-N 1 0 249.251 3.601 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)[C@H]1C ZINC000894628928 583496941 /nfs/dbraw/zinc/49/69/41/583496941.db2.gz UCPVTSUFKPEXEA-BDAKNGLRSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000894628929 583497512 /nfs/dbraw/zinc/49/75/12/583497512.db2.gz UCPVTSUFKPEXEA-DTWKUNHWSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)[C@H]1C ZINC000894628930 583497447 /nfs/dbraw/zinc/49/74/47/583497447.db2.gz UCPVTSUFKPEXEA-IUCAKERBSA-N 1 0 243.272 3.604 20 0 BHADRO C[C@@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)[C@@H]1C ZINC000894628931 583497319 /nfs/dbraw/zinc/49/73/19/583497319.db2.gz UCPVTSUFKPEXEA-RKDXNWHRSA-N 1 0 243.272 3.604 20 0 BHADRO CCCSC[C@H](C)[NH2+]CCCC(C)(F)F ZINC000894658407 583498971 /nfs/dbraw/zinc/49/89/71/583498971.db2.gz GQQSESXRRYJNMN-JTQLQIEISA-N 1 0 239.375 3.543 20 0 BHADRO CCCSC[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000894658408 583499573 /nfs/dbraw/zinc/49/95/73/583499573.db2.gz GQQSESXRRYJNMN-SNVBAGLBSA-N 1 0 239.375 3.543 20 0 BHADRO CCC1([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894682647 583506254 /nfs/dbraw/zinc/50/62/54/583506254.db2.gz CTBKYOKDGKNJHP-UHFFFAOYSA-N 1 0 243.272 3.796 20 0 BHADRO CCC1([NH2+]CC2CCC(OC)CC2)CCCC1 ZINC000894689832 583508936 /nfs/dbraw/zinc/50/89/36/583508936.db2.gz NAVUROADQDOEGW-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO COc1ccc(C[NH2+][C@H](C)CCC=C(C)C)o1 ZINC000894691775 583507654 /nfs/dbraw/zinc/50/76/54/583507654.db2.gz FHWSVSQSTFCGHV-GFCCVEGCSA-N 1 0 237.343 3.513 20 0 BHADRO COc1ccc(C[NH2+][C@@H](C)CCC=C(C)C)o1 ZINC000894691776 583507545 /nfs/dbraw/zinc/50/75/45/583507545.db2.gz FHWSVSQSTFCGHV-LBPRGKRZSA-N 1 0 237.343 3.513 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nccn1C1CC1)C(C)(C)C ZINC000894706900 583511928 /nfs/dbraw/zinc/51/19/28/583511928.db2.gz IPDRYKMPVRLNGW-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H]([NH2+]Cc1nccn1C1CC1)C(C)(C)C ZINC000894706902 583512365 /nfs/dbraw/zinc/51/23/65/583512365.db2.gz IPDRYKMPVRLNGW-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)co1 ZINC000894782463 583521286 /nfs/dbraw/zinc/52/12/86/583521286.db2.gz LEWRELHFWSKMJZ-HNNXBMFYSA-N 1 0 244.338 3.566 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)co1 ZINC000894782465 583521043 /nfs/dbraw/zinc/52/10/43/583521043.db2.gz LEWRELHFWSKMJZ-OAHLLOKOSA-N 1 0 244.338 3.566 20 0 BHADRO Cc1coc(C[N@@H+](C)C2CCC(F)(F)CC2)c1 ZINC000894785114 583521096 /nfs/dbraw/zinc/52/10/96/583521096.db2.gz RNXFPXQHRAGWOQ-UHFFFAOYSA-N 1 0 243.297 3.598 20 0 BHADRO CSC1CC(Nc2ccc3c[nH+]ccc3c2)C1 ZINC000894809498 583523284 /nfs/dbraw/zinc/52/32/84/583523284.db2.gz WBHLAWSWNJAXLE-UHFFFAOYSA-N 1 0 244.363 3.541 20 0 BHADRO CCC1C[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000894813508 583523607 /nfs/dbraw/zinc/52/36/07/583523607.db2.gz ROZKBHYNXQHMBX-UHFFFAOYSA-N 1 0 243.272 3.605 20 0 BHADRO Cc1ncoc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000894816108 583522681 /nfs/dbraw/zinc/52/26/81/583522681.db2.gz VAUBQDDCXSUNFN-AWEZNQCLSA-N 1 0 248.370 3.576 20 0 BHADRO Cc1ncoc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000894816109 583522926 /nfs/dbraw/zinc/52/29/26/583522926.db2.gz VAUBQDDCXSUNFN-CQSZACIVSA-N 1 0 248.370 3.576 20 0 BHADRO CC(C)C1([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894860507 583534642 /nfs/dbraw/zinc/53/46/42/583534642.db2.gz PDZWYBAIEYOIEO-UHFFFAOYSA-N 1 0 240.350 3.513 20 0 BHADRO CCC1([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894877727 583541720 /nfs/dbraw/zinc/54/17/20/583541720.db2.gz IXGABMXPRHTSGF-UHFFFAOYSA-N 1 0 247.363 3.639 20 0 BHADRO CCC[C@@H]([NH2+]Cc1nc(C(C)C)c[nH]1)C1CCC1 ZINC000894986592 583565126 /nfs/dbraw/zinc/56/51/26/583565126.db2.gz XZJDHNFKAYZMCJ-CYBMUJFWSA-N 1 0 249.402 3.592 20 0 BHADRO CCC[C@H]([NH2+]Cc1nc(C(C)C)c[nH]1)C1CCC1 ZINC000894986593 583565118 /nfs/dbraw/zinc/56/51/18/583565118.db2.gz XZJDHNFKAYZMCJ-ZDUSSCGKSA-N 1 0 249.402 3.592 20 0 BHADRO CC[N@H+](Cc1nc(C(C)C)c[nH]1)C1CC(C)(C)C1 ZINC000894998763 636013654 /nfs/dbraw/zinc/01/36/54/636013654.db2.gz HFADKCVOTBSKJS-UHFFFAOYSA-N 1 0 249.402 3.544 20 0 BHADRO CSc1ccc(C[N@@H+]2CCC23CCCC3)o1 ZINC000895133074 583601391 /nfs/dbraw/zinc/60/13/91/583601391.db2.gz CEFUNOMSHKTFEM-UHFFFAOYSA-N 1 0 237.368 3.520 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000895190690 583621403 /nfs/dbraw/zinc/62/14/03/583621403.db2.gz YAZQOMBZAJWGIT-AWEZNQCLSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000895190691 583621222 /nfs/dbraw/zinc/62/12/22/583621222.db2.gz YAZQOMBZAJWGIT-CQSZACIVSA-N 1 0 248.370 3.528 20 0 BHADRO Cc1coc(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000895230563 583629000 /nfs/dbraw/zinc/62/90/00/583629000.db2.gz MGMPWCVIOUKBHM-UHFFFAOYSA-N 1 0 245.322 3.561 20 0 BHADRO Cc1ncoc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000895234177 711780204 /nfs/dbraw/zinc/78/02/04/711780204.db2.gz CENFZXKSOHUIAW-UHFFFAOYSA-N 1 0 248.370 3.529 20 0 BHADRO CC1(C)C[C@]1(C)[NH2+]Cc1nccc2ccccc21 ZINC000895335361 583652908 /nfs/dbraw/zinc/65/29/08/583652908.db2.gz LESNRPFFIGUAQE-INIZCTEOSA-N 1 0 240.350 3.513 20 0 BHADRO CC1(C)C[C@@]1(C)[NH2+]Cc1nccc2ccccc21 ZINC000895335363 583652857 /nfs/dbraw/zinc/65/28/57/583652857.db2.gz LESNRPFFIGUAQE-MRXNPFEDSA-N 1 0 240.350 3.513 20 0 BHADRO CCC(CC)CCC[N@H+](C)Cc1ocnc1C ZINC000895336429 583653255 /nfs/dbraw/zinc/65/32/55/583653255.db2.gz VLEJDVSULAZUSJ-UHFFFAOYSA-N 1 0 238.375 3.631 20 0 BHADRO Fc1ccc(C2CC([NH2+][C@H]3C=CCC3)C2)c(F)c1 ZINC000895337142 583653771 /nfs/dbraw/zinc/65/37/71/583653771.db2.gz GJYOERPQKNJVOZ-YDGIUTOCSA-N 1 0 249.304 3.519 20 0 BHADRO Fc1ccc(C2CC([NH2+][C@@H]3C=CCC3)C2)c(F)c1 ZINC000895337143 583653846 /nfs/dbraw/zinc/65/38/46/583653846.db2.gz GJYOERPQKNJVOZ-YXMLORGKSA-N 1 0 249.304 3.519 20 0 BHADRO CCC[C@@H](C[NH2+]CC1CSC1)c1ccccc1 ZINC000895421676 583673149 /nfs/dbraw/zinc/67/31/49/583673149.db2.gz SOQDHXUDKNOIDY-HNNXBMFYSA-N 1 0 249.423 3.523 20 0 BHADRO CCC[C@H](C[NH2+]CC1CSC1)c1ccccc1 ZINC000895421677 583673143 /nfs/dbraw/zinc/67/31/43/583673143.db2.gz SOQDHXUDKNOIDY-OAHLLOKOSA-N 1 0 249.423 3.523 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000895476845 636150752 /nfs/dbraw/zinc/15/07/52/636150752.db2.gz BUIDIUVXKAKNQR-GHMZBOCLSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000895476846 636150297 /nfs/dbraw/zinc/15/02/97/636150297.db2.gz BUIDIUVXKAKNQR-MNOVXSKESA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000895476847 636149472 /nfs/dbraw/zinc/14/94/72/636149472.db2.gz BUIDIUVXKAKNQR-QWRGUYRKSA-N 1 0 231.330 3.733 20 0 BHADRO C[C@H]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000895476848 636150445 /nfs/dbraw/zinc/15/04/45/636150445.db2.gz BUIDIUVXKAKNQR-WDEREUQCSA-N 1 0 231.330 3.733 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000895530970 583685112 /nfs/dbraw/zinc/68/51/12/583685112.db2.gz BKJYZSLDJFXXNL-LLVKDONJSA-N 1 0 229.314 3.510 20 0 BHADRO CC1=CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000895530972 583684929 /nfs/dbraw/zinc/68/49/29/583684929.db2.gz BKJYZSLDJFXXNL-NSHDSACASA-N 1 0 229.314 3.510 20 0 BHADRO C[C@H]([NH2+]CC1(CC2CC2)CC1)C1CC(F)(F)C1 ZINC000895532296 583685527 /nfs/dbraw/zinc/68/55/27/583685527.db2.gz SRQYFCOOLSNKOA-JTQLQIEISA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC1(CC2CC2)CC1)C1CC(F)(F)C1 ZINC000895532297 583685698 /nfs/dbraw/zinc/68/56/98/583685698.db2.gz SRQYFCOOLSNKOA-SNVBAGLBSA-N 1 0 243.341 3.590 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC(C)(C)CC(F)F)CC1 ZINC000895534493 583686347 /nfs/dbraw/zinc/68/63/47/583686347.db2.gz JACNUFVVZOONRW-LLVKDONJSA-N 1 0 231.330 3.756 20 0 BHADRO CC1=CC[C@H]([NH2+]CC(C)(C)CC(F)F)CC1 ZINC000895534495 583685955 /nfs/dbraw/zinc/68/59/55/583685955.db2.gz JACNUFVVZOONRW-NSHDSACASA-N 1 0 231.330 3.756 20 0 BHADRO FC1(F)CCC[C@@H]1CC[NH2+]C1CC2(CCC2)C1 ZINC000895545986 583690129 /nfs/dbraw/zinc/69/01/29/583690129.db2.gz WENIHHQSXPKNEA-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1CC[NH2+]C1CC2(CCC2)C1 ZINC000895545987 583690152 /nfs/dbraw/zinc/69/01/52/583690152.db2.gz WENIHHQSXPKNEA-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000895630269 583698155 /nfs/dbraw/zinc/69/81/55/583698155.db2.gz JLHVAZMYLHAUAR-RSLMWUCJSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000895630270 583698241 /nfs/dbraw/zinc/69/82/41/583698241.db2.gz JLHVAZMYLHAUAR-XRRVDJEJSA-N 1 0 243.341 3.589 20 0 BHADRO CC(C)(F)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000895690601 583707241 /nfs/dbraw/zinc/70/72/41/583707241.db2.gz HCRPNLPZKGUAFQ-UHFFFAOYSA-N 1 0 249.251 3.601 20 0 BHADRO C[C@@H]([NH2+]C1CCC(=C2CCC2)CC1)C(F)F ZINC000895726026 636174543 /nfs/dbraw/zinc/17/45/43/636174543.db2.gz XHMJDTULOKSQKD-SECBINFHSA-N 1 0 229.314 3.653 20 0 BHADRO C[C@H]([NH2+]C1CCC(=C2CCC2)CC1)C(F)F ZINC000895726027 636175088 /nfs/dbraw/zinc/17/50/88/636175088.db2.gz XHMJDTULOKSQKD-VIFPVBQESA-N 1 0 229.314 3.653 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895763498 583722806 /nfs/dbraw/zinc/72/28/06/583722806.db2.gz CYUYBSLZDXQIPL-NEPJUHHUSA-N 1 0 224.348 3.684 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895763500 583722410 /nfs/dbraw/zinc/72/24/10/583722410.db2.gz CYUYBSLZDXQIPL-NWDGAFQWSA-N 1 0 224.348 3.684 20 0 BHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895763502 583722345 /nfs/dbraw/zinc/72/23/45/583722345.db2.gz CYUYBSLZDXQIPL-RYUDHWBXSA-N 1 0 224.348 3.684 20 0 BHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895763503 583722561 /nfs/dbraw/zinc/72/25/61/583722561.db2.gz CYUYBSLZDXQIPL-VXGBXAGGSA-N 1 0 224.348 3.684 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ncco1)C1CCCC1 ZINC000895763948 583722470 /nfs/dbraw/zinc/72/24/70/583722470.db2.gz DJPLZSDGXNZSDP-AAEUAGOBSA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ncco1)C1CCCC1 ZINC000895763949 583722328 /nfs/dbraw/zinc/72/23/28/583722328.db2.gz DJPLZSDGXNZSDP-DGCLKSJQSA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ncco1)C1CCCC1 ZINC000895763950 583722622 /nfs/dbraw/zinc/72/26/22/583722622.db2.gz DJPLZSDGXNZSDP-WCQYABFASA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ncco1)C1CCCC1 ZINC000895763952 583722762 /nfs/dbraw/zinc/72/27/62/583722762.db2.gz DJPLZSDGXNZSDP-YPMHNXCESA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ncco1 ZINC000895764022 583722728 /nfs/dbraw/zinc/72/27/28/583722728.db2.gz DTHXWVBCZPRYQQ-GRYCIOLGSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ncco1 ZINC000895764024 583722628 /nfs/dbraw/zinc/72/26/28/583722628.db2.gz DTHXWVBCZPRYQQ-SDDRHHMPSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ncco1 ZINC000895764025 583722840 /nfs/dbraw/zinc/72/28/40/583722840.db2.gz DTHXWVBCZPRYQQ-SRVKXCTJSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ncco1 ZINC000895764027 583722670 /nfs/dbraw/zinc/72/26/70/583722670.db2.gz DTHXWVBCZPRYQQ-WOPDTQHZSA-N 1 0 236.359 3.540 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ncco1 ZINC000895764872 583723299 /nfs/dbraw/zinc/72/32/99/583723299.db2.gz KCVPDGXRUURCGP-JHJVBQTASA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ncco1 ZINC000895764873 583723618 /nfs/dbraw/zinc/72/36/18/583723618.db2.gz KCVPDGXRUURCGP-UPJWGTAASA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ncco1 ZINC000895764875 583723311 /nfs/dbraw/zinc/72/33/11/583723311.db2.gz KCVPDGXRUURCGP-XQQFMLRXSA-N 1 0 236.359 3.542 20 0 BHADRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ncco1 ZINC000895764877 583723410 /nfs/dbraw/zinc/72/34/10/583723410.db2.gz KCVPDGXRUURCGP-YNEHKIRRSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H](CC[NH2+][C@H](C)c1ncco1)c1ccccc1 ZINC000895764902 583723155 /nfs/dbraw/zinc/72/31/55/583723155.db2.gz KNWUDZOEOYGASM-CHWSQXEVSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ncco1)c1ccccc1 ZINC000895764903 583723003 /nfs/dbraw/zinc/72/30/03/583723003.db2.gz KNWUDZOEOYGASM-OLZOCXBDSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ncco1 ZINC000895764904 583723100 /nfs/dbraw/zinc/72/31/00/583723100.db2.gz KNWUDZOEOYGASM-QWHCGFSZSA-N 1 0 244.338 3.519 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ncco1)c1ccccc1 ZINC000895764905 583723476 /nfs/dbraw/zinc/72/34/76/583723476.db2.gz KNWUDZOEOYGASM-STQMWFEESA-N 1 0 244.338 3.519 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895765194 583723473 /nfs/dbraw/zinc/72/34/73/583723473.db2.gz KSLLGJPKKSXAQI-NEPJUHHUSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895765195 583723616 /nfs/dbraw/zinc/72/36/16/583723616.db2.gz KSLLGJPKKSXAQI-NWDGAFQWSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895765196 583723135 /nfs/dbraw/zinc/72/31/35/583723135.db2.gz KSLLGJPKKSXAQI-RYUDHWBXSA-N 1 0 224.348 3.540 20 0 BHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895765197 583723141 /nfs/dbraw/zinc/72/31/41/583723141.db2.gz KSLLGJPKKSXAQI-VXGBXAGGSA-N 1 0 224.348 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ncco1 ZINC000895765239 583723121 /nfs/dbraw/zinc/72/31/21/583723121.db2.gz LGKBOHCTFIJKGR-AGIUHOORSA-N 1 0 244.338 3.517 20 0 BHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895765242 583723421 /nfs/dbraw/zinc/72/34/21/583723421.db2.gz LGKBOHCTFIJKGR-AVGNSLFASA-N 1 0 244.338 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@@H](C)c1ccccc1 ZINC000895765243 583723260 /nfs/dbraw/zinc/72/32/60/583723260.db2.gz LGKBOHCTFIJKGR-UPJWGTAASA-N 1 0 244.338 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@H](C)c1ccccc1 ZINC000895765245 583723447 /nfs/dbraw/zinc/72/34/47/583723447.db2.gz LGKBOHCTFIJKGR-XQQFMLRXSA-N 1 0 244.338 3.517 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ncco1 ZINC000895765256 583723610 /nfs/dbraw/zinc/72/36/10/583723610.db2.gz LIWYNHRVUFSQBD-GHMZBOCLSA-N 1 0 224.348 3.540 20 0 BHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ncco1 ZINC000895765258 583723281 /nfs/dbraw/zinc/72/32/81/583723281.db2.gz LIWYNHRVUFSQBD-MNOVXSKESA-N 1 0 224.348 3.540 20 0 BHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ncco1 ZINC000895765260 583723129 /nfs/dbraw/zinc/72/31/29/583723129.db2.gz LIWYNHRVUFSQBD-QWRGUYRKSA-N 1 0 224.348 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ncco1 ZINC000895765262 583723470 /nfs/dbraw/zinc/72/34/70/583723470.db2.gz LIWYNHRVUFSQBD-WDEREUQCSA-N 1 0 224.348 3.540 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@H](C)c1ncco1 ZINC000895765279 583723433 /nfs/dbraw/zinc/72/34/33/583723433.db2.gz LORYDALSZZVCKH-LLVKDONJSA-N 1 0 224.348 3.542 20 0 BHADRO CCC(CC)(CC)C[NH2+][C@@H](C)c1ncco1 ZINC000895765281 583723249 /nfs/dbraw/zinc/72/32/49/583723249.db2.gz LORYDALSZZVCKH-NSHDSACASA-N 1 0 224.348 3.542 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765798 583719459 /nfs/dbraw/zinc/71/94/59/583719459.db2.gz QJWRNMRSBHUGQC-CHWSQXEVSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765799 583719411 /nfs/dbraw/zinc/71/94/11/583719411.db2.gz QJWRNMRSBHUGQC-OLZOCXBDSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765800 583719386 /nfs/dbraw/zinc/71/93/86/583719386.db2.gz QJWRNMRSBHUGQC-QWHCGFSZSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765801 583718971 /nfs/dbraw/zinc/71/89/71/583718971.db2.gz QJWRNMRSBHUGQC-STQMWFEESA-N 1 0 248.370 3.828 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765818 583718977 /nfs/dbraw/zinc/71/89/77/583718977.db2.gz RCTGJIGLZFBWEG-CHWSQXEVSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765819 583719194 /nfs/dbraw/zinc/71/91/94/583719194.db2.gz RCTGJIGLZFBWEG-OLZOCXBDSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765820 583719418 /nfs/dbraw/zinc/71/94/18/583719418.db2.gz RCTGJIGLZFBWEG-QWHCGFSZSA-N 1 0 248.370 3.828 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765821 583719369 /nfs/dbraw/zinc/71/93/69/583719369.db2.gz RCTGJIGLZFBWEG-STQMWFEESA-N 1 0 248.370 3.828 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncco1 ZINC000895765879 583719204 /nfs/dbraw/zinc/71/92/04/583719204.db2.gz OXDVELRFSCSMCH-IGQOVBAYSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ncco1 ZINC000895765880 583719500 /nfs/dbraw/zinc/71/95/00/583719500.db2.gz OXDVELRFSCSMCH-REWJHTLYSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ncco1 ZINC000895765881 583719209 /nfs/dbraw/zinc/71/92/09/583719209.db2.gz OXDVELRFSCSMCH-RFQIPJPRSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncco1 ZINC000895765882 583719116 /nfs/dbraw/zinc/71/91/16/583719116.db2.gz OXDVELRFSCSMCH-XDQVBPFNSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@@H]([NH2+]CCCC1CCCCC1)c1ncco1 ZINC000895765936 583719130 /nfs/dbraw/zinc/71/91/30/583719130.db2.gz QARXSQUTRHNLMD-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CCCC1CCCCC1)c1ncco1 ZINC000895765938 583719465 /nfs/dbraw/zinc/71/94/65/583719465.db2.gz QARXSQUTRHNLMD-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@@H]1CC2CCC1CC2 ZINC000895766672 583718821 /nfs/dbraw/zinc/71/88/21/583718821.db2.gz WPUVQCYQIDNHPH-CJQNXBEJSA-N 1 0 248.370 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC2CCC1CC2)c1ncco1 ZINC000895766673 583719555 /nfs/dbraw/zinc/71/95/55/583719555.db2.gz WPUVQCYQIDNHPH-HRDMENRUSA-N 1 0 248.370 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)c1ncco1 ZINC000895766674 583719380 /nfs/dbraw/zinc/71/93/80/583719380.db2.gz WPUVQCYQIDNHPH-LFSIAQGGSA-N 1 0 248.370 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@H]1CC2CCC1CC2 ZINC000895766675 583719068 /nfs/dbraw/zinc/71/90/68/583719068.db2.gz WPUVQCYQIDNHPH-XPXVYLNCSA-N 1 0 248.370 3.540 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000895766860 583719034 /nfs/dbraw/zinc/71/90/34/583719034.db2.gz VPYVNXPAVIAPII-JHJVBQTASA-N 1 0 236.359 3.684 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ncco1 ZINC000895767097 583722183 /nfs/dbraw/zinc/72/21/83/583722183.db2.gz VPYVNXPAVIAPII-UPJWGTAASA-N 1 0 236.359 3.684 20 0 BHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000895767098 583721836 /nfs/dbraw/zinc/72/18/36/583721836.db2.gz VPYVNXPAVIAPII-XQQFMLRXSA-N 1 0 236.359 3.684 20 0 BHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000895767099 583722191 /nfs/dbraw/zinc/72/21/91/583722191.db2.gz VPYVNXPAVIAPII-YNEHKIRRSA-N 1 0 236.359 3.684 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ncco1 ZINC000895767474 583723381 /nfs/dbraw/zinc/72/33/81/583723381.db2.gz ZCBIOBOBFAHWED-GFCCVEGCSA-N 1 0 238.375 3.786 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ncco1 ZINC000895767475 583723531 /nfs/dbraw/zinc/72/35/31/583723531.db2.gz ZCBIOBOBFAHWED-LBPRGKRZSA-N 1 0 238.375 3.786 20 0 BHADRO C[C@H]([NH2+]C1CCC=CCC1)C1CC(F)(F)C1 ZINC000895893801 583740304 /nfs/dbraw/zinc/74/03/04/583740304.db2.gz DWEHRHURPSRDFO-JTQLQIEISA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]([NH2+]C1CCC=CCC1)C1CC(F)(F)C1 ZINC000895893802 583740316 /nfs/dbraw/zinc/74/03/16/583740316.db2.gz DWEHRHURPSRDFO-SNVBAGLBSA-N 1 0 229.314 3.509 20 0 BHADRO Cc1oc2ccccc2c1C[N@H+](C)CCCF ZINC000895897849 583740652 /nfs/dbraw/zinc/74/06/52/583740652.db2.gz FPUFGZVLERWFLF-UHFFFAOYSA-N 1 0 235.302 3.533 20 0 BHADRO C[N@H+](CCCF)Cc1ccc(C(F)F)c(F)c1 ZINC000896069697 583767960 /nfs/dbraw/zinc/76/79/60/583767960.db2.gz HZIKKVPVEATCDC-UHFFFAOYSA-N 1 0 249.251 3.555 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000896612128 583817536 /nfs/dbraw/zinc/81/75/36/583817536.db2.gz HQHVBNMRFMVJLA-GDBMZVCRSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000896612129 583817166 /nfs/dbraw/zinc/81/71/66/583817166.db2.gz HQHVBNMRFMVJLA-GOEBONIOSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000896612130 583817165 /nfs/dbraw/zinc/81/71/65/583817165.db2.gz HQHVBNMRFMVJLA-HOCLYGCPSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000896612131 583817282 /nfs/dbraw/zinc/81/72/82/583817282.db2.gz HQHVBNMRFMVJLA-ZBFHGGJFSA-N 1 0 242.366 3.621 20 0 BHADRO CSC(C)(C)CC[NH2+]C(C)(C)/C=C/Cl ZINC000896746276 583829626 /nfs/dbraw/zinc/82/96/26/583829626.db2.gz BJWCXSKNZANHGL-SOFGYWHQSA-N 1 0 235.824 3.639 20 0 BHADRO CSC(C)(C)CC[NH2+]C(C)(C)/C=C\Cl ZINC000896746287 583829412 /nfs/dbraw/zinc/82/94/12/583829412.db2.gz BJWCXSKNZANHGL-VURMDHGXSA-N 1 0 235.824 3.639 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)/C=C/Cl ZINC000896747396 583830043 /nfs/dbraw/zinc/83/00/43/583830043.db2.gz KZUZNELPVVDHCI-BRAIEQGRSA-N 1 0 243.803 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)/C=C\Cl ZINC000896747397 583830341 /nfs/dbraw/zinc/83/03/41/583830341.db2.gz KZUZNELPVVDHCI-OMMCCPJFSA-N 1 0 243.803 3.800 20 0 BHADRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)/C=C/Cl ZINC000896747398 583830405 /nfs/dbraw/zinc/83/04/05/583830405.db2.gz KZUZNELPVVDHCI-PORFMDCZSA-N 1 0 243.803 3.800 20 0 BHADRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)/C=C\Cl ZINC000896747399 583830258 /nfs/dbraw/zinc/83/02/58/583830258.db2.gz KZUZNELPVVDHCI-WWQCOOJYSA-N 1 0 243.803 3.800 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000896951960 583864068 /nfs/dbraw/zinc/86/40/68/583864068.db2.gz SKSMECUGKIRZPJ-GFCCVEGCSA-N 1 0 241.444 3.831 20 0 BHADRO CC(C)(C)CC[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000896951961 583863935 /nfs/dbraw/zinc/86/39/35/583863935.db2.gz SKSMECUGKIRZPJ-LBPRGKRZSA-N 1 0 241.444 3.831 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000897070410 583877420 /nfs/dbraw/zinc/87/74/20/583877420.db2.gz HGQXSUVWPYOZFD-HUUCEWRRSA-N 1 0 242.366 3.547 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000897070411 583877304 /nfs/dbraw/zinc/87/73/04/583877304.db2.gz HGQXSUVWPYOZFD-LSDHHAIUSA-N 1 0 242.366 3.547 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000897072248 583877852 /nfs/dbraw/zinc/87/78/52/583877852.db2.gz HGQXSUVWPYOZFD-CABCVRRESA-N 1 0 242.366 3.547 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000897072249 583877857 /nfs/dbraw/zinc/87/78/57/583877857.db2.gz HGQXSUVWPYOZFD-GJZGRUSLSA-N 1 0 242.366 3.547 20 0 BHADRO ClC1(Cl)C[C@@H]1C[NH2+]CC1CCC=CCC1 ZINC000897244319 583901715 /nfs/dbraw/zinc/90/17/15/583901715.db2.gz CGIJNOWXVRSLBY-LLVKDONJSA-N 1 0 248.197 3.516 20 0 BHADRO ClC1(Cl)C[C@H]1C[NH2+]CC1CCC=CCC1 ZINC000897244320 583901728 /nfs/dbraw/zinc/90/17/28/583901728.db2.gz CGIJNOWXVRSLBY-NSHDSACASA-N 1 0 248.197 3.516 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000897246491 583902870 /nfs/dbraw/zinc/90/28/70/583902870.db2.gz URRQPSJRTJEKGO-CABCVRRESA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000897246492 583902739 /nfs/dbraw/zinc/90/27/39/583902739.db2.gz URRQPSJRTJEKGO-GJZGRUSLSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000897246493 583902422 /nfs/dbraw/zinc/90/24/22/583902422.db2.gz URRQPSJRTJEKGO-HUUCEWRRSA-N 1 0 249.398 3.567 20 0 BHADRO CC1=CC[C@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000897246494 583902126 /nfs/dbraw/zinc/90/21/26/583902126.db2.gz URRQPSJRTJEKGO-LSDHHAIUSA-N 1 0 249.398 3.567 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CC1)C1CCSCC1 ZINC000897438006 583983500 /nfs/dbraw/zinc/98/35/00/583983500.db2.gz RWDQVJXPKLCPQK-LLVKDONJSA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CC1)C1CCSCC1 ZINC000897438020 583983543 /nfs/dbraw/zinc/98/35/43/583983543.db2.gz RWDQVJXPKLCPQK-NSHDSACASA-N 1 0 241.444 3.544 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)C1CC1 ZINC000897438492 583983804 /nfs/dbraw/zinc/98/38/04/583983804.db2.gz DIUOIROBYIGLJW-SECBINFHSA-N 1 0 237.309 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)C1CC1 ZINC000897438494 583983407 /nfs/dbraw/zinc/98/34/07/583983407.db2.gz DIUOIROBYIGLJW-VIFPVBQESA-N 1 0 237.309 3.743 20 0 BHADRO CC(C)(C[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000897438557 583983773 /nfs/dbraw/zinc/98/37/73/583983773.db2.gz XXZNGGZAXJGEIM-UHFFFAOYSA-N 1 0 231.330 3.590 20 0 BHADRO CC(C)(C[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000897438752 583984022 /nfs/dbraw/zinc/98/40/22/583984022.db2.gz ZZJWZQNMABDDNO-UHFFFAOYSA-N 1 0 245.357 3.836 20 0 BHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897446267 583986468 /nfs/dbraw/zinc/98/64/68/583986468.db2.gz DFHGXSHRZPZUGB-CYBMUJFWSA-N 1 0 241.419 3.608 20 0 BHADRO CCCC[C@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897446268 583986507 /nfs/dbraw/zinc/98/65/07/583986507.db2.gz DFHGXSHRZPZUGB-ZDUSSCGKSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@H](CC)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897446739 583986413 /nfs/dbraw/zinc/98/64/13/583986413.db2.gz ITDKSRQMFSFYIU-AWEZNQCLSA-N 1 0 241.419 3.608 20 0 BHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897446740 583986377 /nfs/dbraw/zinc/98/63/77/583986377.db2.gz ITDKSRQMFSFYIU-CQSZACIVSA-N 1 0 241.419 3.608 20 0 BHADRO c1cc(NCC2CCSCC2)ncc1C1CC1 ZINC000897715853 584043256 /nfs/dbraw/zinc/04/32/56/584043256.db2.gz QHKGQRGMWJYYRV-UHFFFAOYSA-N 1 0 248.395 3.514 20 0 BHADRO CC1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000897746708 584046620 /nfs/dbraw/zinc/04/66/20/584046620.db2.gz SZWJIZNODKNNEI-FUDCBSFHSA-N 1 0 237.412 3.501 20 0 BHADRO CC1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000897746709 584046553 /nfs/dbraw/zinc/04/65/53/584046553.db2.gz SZWJIZNODKNNEI-RLAWYHOSSA-N 1 0 237.412 3.501 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)C1CC(F)(F)C1 ZINC000897771645 584045561 /nfs/dbraw/zinc/04/55/61/584045561.db2.gz FPIYTTZXWHSBRW-CMPLNLGQSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)C1CC(F)(F)C1 ZINC000897771646 584045643 /nfs/dbraw/zinc/04/56/43/584045643.db2.gz FPIYTTZXWHSBRW-JQWIXIFHSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)C1CC(F)(F)C1 ZINC000897771647 584045316 /nfs/dbraw/zinc/04/53/16/584045316.db2.gz FPIYTTZXWHSBRW-PWSUYJOCSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)C1CC(F)(F)C1 ZINC000897771648 584045608 /nfs/dbraw/zinc/04/56/08/584045608.db2.gz FPIYTTZXWHSBRW-ZYHUDNBSSA-N 1 0 243.341 3.733 20 0 BHADRO CCCC(CCC)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897777706 584046061 /nfs/dbraw/zinc/04/60/61/584046061.db2.gz ASAAOPIEPIMCSH-GRTSSRMGSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC(CCC)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897777707 584046103 /nfs/dbraw/zinc/04/61/03/584046103.db2.gz ASAAOPIEPIMCSH-LRVUVFPRSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780219 584047545 /nfs/dbraw/zinc/04/75/45/584047545.db2.gz VJLWSYIIHNMCSQ-DNDYEEKYSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](CC)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780221 584047756 /nfs/dbraw/zinc/04/77/56/584047756.db2.gz VJLWSYIIHNMCSQ-HESLUPGFSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780223 584047809 /nfs/dbraw/zinc/04/78/09/584047809.db2.gz VJLWSYIIHNMCSQ-LMRVLLHPSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@@H](CC)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780225 584047488 /nfs/dbraw/zinc/04/74/88/584047488.db2.gz VJLWSYIIHNMCSQ-ZUJMUWTESA-N 1 0 239.403 3.502 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CCC23CCC3)CCS1 ZINC000897794266 584048615 /nfs/dbraw/zinc/04/86/15/584048615.db2.gz UGETYKDGHLBHAW-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC23CCC3)CCS1 ZINC000897794267 584048599 /nfs/dbraw/zinc/04/85/99/584048599.db2.gz UGETYKDGHLBHAW-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@H]2CCC23CCC3)CCS1 ZINC000897794268 584048588 /nfs/dbraw/zinc/04/85/88/584048588.db2.gz UGETYKDGHLBHAW-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CCC23CCC3)CCS1 ZINC000897794269 584048585 /nfs/dbraw/zinc/04/85/85/584048585.db2.gz UGETYKDGHLBHAW-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H]2CCSC(C)(C)C2)CC1 ZINC000897794327 584048581 /nfs/dbraw/zinc/04/85/81/584048581.db2.gz HFRSALPAQHBIMR-CHWSQXEVSA-N 1 0 239.428 3.749 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H]2CCSC(C)(C)C2)CC1 ZINC000897794328 584048835 /nfs/dbraw/zinc/04/88/35/584048835.db2.gz HFRSALPAQHBIMR-OLZOCXBDSA-N 1 0 239.428 3.749 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)CC1 ZINC000897794329 584048860 /nfs/dbraw/zinc/04/88/60/584048860.db2.gz HFRSALPAQHBIMR-QWHCGFSZSA-N 1 0 239.428 3.749 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H]2CCSC(C)(C)C2)CC1 ZINC000897794330 584048603 /nfs/dbraw/zinc/04/86/03/584048603.db2.gz HFRSALPAQHBIMR-STQMWFEESA-N 1 0 239.428 3.749 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CC3(CCC3)C2)CCS1 ZINC000897794444 584048574 /nfs/dbraw/zinc/04/85/74/584048574.db2.gz VOUGSJUUQKJUDE-LLVKDONJSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CC3(CCC3)C2)CCS1 ZINC000897794445 584048846 /nfs/dbraw/zinc/04/88/46/584048846.db2.gz VOUGSJUUQKJUDE-NSHDSACASA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@H]2CCCC23CC3)CCS1 ZINC000897794614 584048591 /nfs/dbraw/zinc/04/85/91/584048591.db2.gz WSGHSWDIUFXQSF-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC23CC3)CCS1 ZINC000897794615 584048757 /nfs/dbraw/zinc/04/87/57/584048757.db2.gz WSGHSWDIUFXQSF-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+][C@H]2CCCC23CC3)CCS1 ZINC000897794616 584048802 /nfs/dbraw/zinc/04/88/02/584048802.db2.gz WSGHSWDIUFXQSF-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC23CC3)CCS1 ZINC000897794617 584048843 /nfs/dbraw/zinc/04/88/43/584048843.db2.gz WSGHSWDIUFXQSF-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797000 584049536 /nfs/dbraw/zinc/04/95/36/584049536.db2.gz BQBDGLYOBMBARC-NEPJUHHUSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797003 584049341 /nfs/dbraw/zinc/04/93/41/584049341.db2.gz BQBDGLYOBMBARC-NWDGAFQWSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797005 584049447 /nfs/dbraw/zinc/04/94/47/584049447.db2.gz BQBDGLYOBMBARC-RYUDHWBXSA-N 1 0 229.433 3.685 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797007 584049289 /nfs/dbraw/zinc/04/92/89/584049289.db2.gz BQBDGLYOBMBARC-VXGBXAGGSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797757 584049118 /nfs/dbraw/zinc/04/91/18/584049118.db2.gz LDFSWLJUFJTONT-QJPTWQEYSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797758 584049527 /nfs/dbraw/zinc/04/95/27/584049527.db2.gz LDFSWLJUFJTONT-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797759 584049325 /nfs/dbraw/zinc/04/93/25/584049325.db2.gz LDFSWLJUFJTONT-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797760 584049389 /nfs/dbraw/zinc/04/93/89/584049389.db2.gz LDFSWLJUFJTONT-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO CC1(C)C[C@H]([NH2+]C[C@@H]2CC=CCC2)CCS1 ZINC000897798371 584049254 /nfs/dbraw/zinc/04/92/54/584049254.db2.gz RVJOVLXZSWLXPW-CHWSQXEVSA-N 1 0 239.428 3.607 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCS1 ZINC000897798372 584049206 /nfs/dbraw/zinc/04/92/06/584049206.db2.gz RVJOVLXZSWLXPW-OLZOCXBDSA-N 1 0 239.428 3.607 20 0 BHADRO CC1(C)C[C@H]([NH2+]C[C@H]2CC=CCC2)CCS1 ZINC000897798373 584049065 /nfs/dbraw/zinc/04/90/65/584049065.db2.gz RVJOVLXZSWLXPW-QWHCGFSZSA-N 1 0 239.428 3.607 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C[C@H]2CC=CCC2)CCS1 ZINC000897798374 584049247 /nfs/dbraw/zinc/04/92/47/584049247.db2.gz RVJOVLXZSWLXPW-STQMWFEESA-N 1 0 239.428 3.607 20 0 BHADRO CC1(C)C[C@H]([NH2+]C2CCCCC2)CCS1 ZINC000897798460 584049281 /nfs/dbraw/zinc/04/92/81/584049281.db2.gz UJEBRZVIORWOIW-GFCCVEGCSA-N 1 0 227.417 3.583 20 0 BHADRO CC1(C)C[C@@H]([NH2+]C2CCCCC2)CCS1 ZINC000897798461 584049469 /nfs/dbraw/zinc/04/94/69/584049469.db2.gz UJEBRZVIORWOIW-LBPRGKRZSA-N 1 0 227.417 3.583 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C(C)C ZINC000897798645 584049257 /nfs/dbraw/zinc/04/92/57/584049257.db2.gz YEHCGKBYWIJSAM-NEPJUHHUSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C(C)C ZINC000897798646 584049334 /nfs/dbraw/zinc/04/93/34/584049334.db2.gz YEHCGKBYWIJSAM-NWDGAFQWSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C(C)C ZINC000897798647 584049478 /nfs/dbraw/zinc/04/94/78/584049478.db2.gz YEHCGKBYWIJSAM-RYUDHWBXSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C(C)C ZINC000897798648 584049360 /nfs/dbraw/zinc/04/93/60/584049360.db2.gz YEHCGKBYWIJSAM-VXGBXAGGSA-N 1 0 229.433 3.685 20 0 BHADRO CC1(C)C[C@H]([NH2+]Cc2ccsc2)CCS1 ZINC000897798945 584049086 /nfs/dbraw/zinc/04/90/86/584049086.db2.gz AESZJXROEIXVJH-LLVKDONJSA-N 1 0 241.425 3.512 20 0 BHADRO CC1(C)C[C@@H]([NH2+]Cc2ccsc2)CCS1 ZINC000897798950 584049271 /nfs/dbraw/zinc/04/92/71/584049271.db2.gz AESZJXROEIXVJH-NSHDSACASA-N 1 0 241.425 3.512 20 0 BHADRO CC1(C)C[C@@H]([NH2+]Cc2cccs2)CCS1 ZINC000897799973 584049808 /nfs/dbraw/zinc/04/98/08/584049808.db2.gz NDLKHTGCCIVZCD-JTQLQIEISA-N 1 0 241.425 3.512 20 0 BHADRO CC1(C)C[C@H]([NH2+]Cc2cccs2)CCS1 ZINC000897799974 584049731 /nfs/dbraw/zinc/04/97/31/584049731.db2.gz NDLKHTGCCIVZCD-SNVBAGLBSA-N 1 0 241.425 3.512 20 0 BHADRO CCC[C@](C)([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000897925185 584061075 /nfs/dbraw/zinc/06/10/75/584061075.db2.gz CKZURNASTLXIMD-INIZCTEOSA-N 1 0 242.366 3.820 20 0 BHADRO CCC[C@@](C)([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000897925186 584061017 /nfs/dbraw/zinc/06/10/17/584061017.db2.gz CKZURNASTLXIMD-MRXNPFEDSA-N 1 0 242.366 3.820 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCC2)c1cncs1 ZINC000897929836 584061005 /nfs/dbraw/zinc/06/10/05/584061005.db2.gz BLUBCIJSRWVEIO-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1cncs1 ZINC000897929837 584061023 /nfs/dbraw/zinc/06/10/23/584061023.db2.gz BLUBCIJSRWVEIO-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cncs1 ZINC000897930334 584061483 /nfs/dbraw/zinc/06/14/83/584061483.db2.gz NQUJXNBUDUDBMS-KXNHARMFSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cncs1 ZINC000897930335 584061633 /nfs/dbraw/zinc/06/16/33/584061633.db2.gz NQUJXNBUDUDBMS-NOOOWODRSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cncs1 ZINC000897930336 584061744 /nfs/dbraw/zinc/06/17/44/584061744.db2.gz NQUJXNBUDUDBMS-RHYQMDGZSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cncs1 ZINC000897930337 584061249 /nfs/dbraw/zinc/06/12/49/584061249.db2.gz NQUJXNBUDUDBMS-WRWGMCAJSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CCC2)c1cncs1 ZINC000897931073 584059259 /nfs/dbraw/zinc/05/92/59/584059259.db2.gz VWLBHSCUKQFEKM-CMPLNLGQSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CCC2)c1cncs1 ZINC000897931074 584059290 /nfs/dbraw/zinc/05/92/90/584059290.db2.gz VWLBHSCUKQFEKM-JQWIXIFHSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CCC2)c1cncs1 ZINC000897931075 584058891 /nfs/dbraw/zinc/05/88/91/584058891.db2.gz VWLBHSCUKQFEKM-PWSUYJOCSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CCC2)c1cncs1 ZINC000897931076 584059452 /nfs/dbraw/zinc/05/94/52/584059452.db2.gz VWLBHSCUKQFEKM-ZYHUDNBSSA-N 1 0 236.384 3.517 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897931238 584059364 /nfs/dbraw/zinc/05/93/64/584059364.db2.gz XTASHCRWGDUAHI-CYZMBNFOSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H](C)c1cncs1 ZINC000897931239 584059305 /nfs/dbraw/zinc/05/93/05/584059305.db2.gz XTASHCRWGDUAHI-KGYLQXTDSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@]1(C)CCC[C@H]1[NH2+][C@H](C)c1cncs1 ZINC000897931240 584059255 /nfs/dbraw/zinc/05/92/55/584059255.db2.gz XTASHCRWGDUAHI-RAIGVLPGSA-N 1 0 238.400 3.763 20 0 BHADRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897931241 584059155 /nfs/dbraw/zinc/05/91/55/584059155.db2.gz XTASHCRWGDUAHI-WCFLWFBJSA-N 1 0 238.400 3.763 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cncs1 ZINC000897931657 584059005 /nfs/dbraw/zinc/05/90/05/584059005.db2.gz AOOHSEBVXVVBTQ-DCAQKATOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cncs1 ZINC000897931659 584059132 /nfs/dbraw/zinc/05/91/32/584059132.db2.gz AOOHSEBVXVVBTQ-GARJFASQSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cncs1 ZINC000897931661 584058966 /nfs/dbraw/zinc/05/89/66/584058966.db2.gz AOOHSEBVXVVBTQ-OUAUKWLOSA-N 1 0 238.400 3.618 20 0 BHADRO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cncs1 ZINC000897931663 584059248 /nfs/dbraw/zinc/05/92/48/584059248.db2.gz AOOHSEBVXVVBTQ-VWYCJHECSA-N 1 0 238.400 3.618 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000897932187 636847228 /nfs/dbraw/zinc/84/72/28/636847228.db2.gz JILPKNQFSVIOHE-GHMZBOCLSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000897932188 636846331 /nfs/dbraw/zinc/84/63/31/636846331.db2.gz JILPKNQFSVIOHE-MNOVXSKESA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000897932189 636847218 /nfs/dbraw/zinc/84/72/18/636847218.db2.gz JILPKNQFSVIOHE-QWRGUYRKSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000897932190 636847137 /nfs/dbraw/zinc/84/71/37/636847137.db2.gz JILPKNQFSVIOHE-WDEREUQCSA-N 1 0 226.389 3.763 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)c1cncs1 ZINC000897932764 636846897 /nfs/dbraw/zinc/84/68/97/636846897.db2.gz PIQZBABSOLXIKV-JTQLQIEISA-N 1 0 226.389 3.763 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)c1cncs1 ZINC000897932765 636847241 /nfs/dbraw/zinc/84/72/41/636847241.db2.gz PIQZBABSOLXIKV-SNVBAGLBSA-N 1 0 226.389 3.763 20 0 BHADRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897932792 636847305 /nfs/dbraw/zinc/84/73/05/636847305.db2.gz QAAVLZPGNBSZAO-QJPTWQEYSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897932793 636846805 /nfs/dbraw/zinc/84/68/05/636846805.db2.gz QAAVLZPGNBSZAO-SDDRHHMPSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897932794 636846700 /nfs/dbraw/zinc/84/67/00/636846700.db2.gz QAAVLZPGNBSZAO-SRVKXCTJSA-N 1 0 238.400 3.618 20 0 BHADRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000897932795 636847441 /nfs/dbraw/zinc/84/74/41/636847441.db2.gz QAAVLZPGNBSZAO-TUAOUCFPSA-N 1 0 238.400 3.618 20 0 BHADRO CCCCC1([NH2+]CCCc2cnccc2C)CC1 ZINC000897935452 584062047 /nfs/dbraw/zinc/06/20/47/584062047.db2.gz AJVYBOQIRVTKNW-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO Cc1cccc(C[NH2+][C@H](C)c2cncs2)c1C ZINC000897935670 584062378 /nfs/dbraw/zinc/06/23/78/584062378.db2.gz YOAXKSMYWOXOJI-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1cccc(C[NH2+][C@@H](C)c2cncs2)c1C ZINC000897935671 584061895 /nfs/dbraw/zinc/06/18/95/584061895.db2.gz YOAXKSMYWOXOJI-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO CCCCC1([NH2+]CC2CCC(OC)CC2)CC1 ZINC000897935771 584062075 /nfs/dbraw/zinc/06/20/75/584062075.db2.gz HBNIMVKHIWUKEO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+]Cc2ncc(CC)s2)CC1 ZINC000897935855 584061866 /nfs/dbraw/zinc/06/18/66/584061866.db2.gz INILLWVMQDYKDG-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCCCC1([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000897935997 584062156 /nfs/dbraw/zinc/06/21/56/584062156.db2.gz LJWOTXOQURNHII-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CCCCC1([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000897936020 584062240 /nfs/dbraw/zinc/06/22/40/584062240.db2.gz LZOXAGOJBKWUCK-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CCCCC1([NH2+]CCCc2ccc(C)nc2)CC1 ZINC000897936035 584062131 /nfs/dbraw/zinc/06/21/31/584062131.db2.gz MESNJBBGDSIMNO-UHFFFAOYSA-N 1 0 246.398 3.635 20 0 BHADRO CCCCC1([NH2+]Cc2cnc(CC)s2)CC1 ZINC000897936113 584062006 /nfs/dbraw/zinc/06/20/06/584062006.db2.gz NHHKABDHDBWPSP-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CCCCC1([NH2+]Cc2nc(Cl)cs2)CC1 ZINC000897936380 584062169 /nfs/dbraw/zinc/06/21/69/584062169.db2.gz VYWQCKWDAXKYDY-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCC1([NH2+]C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000897936550 584062080 /nfs/dbraw/zinc/06/20/80/584062080.db2.gz YZKLGDVHTXRZGI-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+]C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000897936551 584062061 /nfs/dbraw/zinc/06/20/61/584062061.db2.gz YZKLGDVHTXRZGI-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+]C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000897936552 584061879 /nfs/dbraw/zinc/06/18/79/584061879.db2.gz YZKLGDVHTXRZGI-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+]C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000897936553 584061911 /nfs/dbraw/zinc/06/19/11/584061911.db2.gz YZKLGDVHTXRZGI-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CC1=CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000897944281 584063050 /nfs/dbraw/zinc/06/30/50/584063050.db2.gz LFAPHIIGXJZHID-GFCCVEGCSA-N 1 0 248.370 3.561 20 0 BHADRO CC1=CC[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000897944282 584062567 /nfs/dbraw/zinc/06/25/67/584062567.db2.gz LFAPHIIGXJZHID-LBPRGKRZSA-N 1 0 248.370 3.561 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897954989 584065339 /nfs/dbraw/zinc/06/53/39/584065339.db2.gz NNZRECPUWUSERJ-DDHJBXDOSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897954990 584065232 /nfs/dbraw/zinc/06/52/32/584065232.db2.gz NNZRECPUWUSERJ-NOOOWODRSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897954991 584065126 /nfs/dbraw/zinc/06/51/26/584065126.db2.gz NNZRECPUWUSERJ-WISYIIOYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897954992 584065422 /nfs/dbraw/zinc/06/54/22/584065422.db2.gz NNZRECPUWUSERJ-WRWGMCAJSA-N 1 0 249.320 3.886 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000897957128 584065709 /nfs/dbraw/zinc/06/57/09/584065709.db2.gz BNXKWTPCGKRONF-BEZKJRAVSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897957130 584065851 /nfs/dbraw/zinc/06/58/51/584065851.db2.gz BNXKWTPCGKRONF-MMJCSWOSSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000897957296 584065795 /nfs/dbraw/zinc/06/57/95/584065795.db2.gz BNXKWTPCGKRONF-NPBHJFFNSA-N 1 0 243.341 3.589 20 0 BHADRO FC(F)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897957297 584065742 /nfs/dbraw/zinc/06/57/42/584065742.db2.gz BNXKWTPCGKRONF-ZWMSFMBMSA-N 1 0 243.341 3.589 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000897965290 584069315 /nfs/dbraw/zinc/06/93/15/584069315.db2.gz PJZDXAXQDMNUNU-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000897965292 584069319 /nfs/dbraw/zinc/06/93/19/584069319.db2.gz PJZDXAXQDMNUNU-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000897965294 584069223 /nfs/dbraw/zinc/06/92/23/584069223.db2.gz PJZDXAXQDMNUNU-IJEWVQPXSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000897965297 584069082 /nfs/dbraw/zinc/06/90/82/584069082.db2.gz PJZDXAXQDMNUNU-YCPHGPKFSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)CC1CCCC1 ZINC000897966399 584069076 /nfs/dbraw/zinc/06/90/76/584069076.db2.gz BZOXDTVZJPMWQO-KBPBESRZSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](CC1CCCC1)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897966401 584069277 /nfs/dbraw/zinc/06/92/77/584069277.db2.gz BZOXDTVZJPMWQO-KGLIPLIRSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)CC1CCCC1 ZINC000897966402 584069299 /nfs/dbraw/zinc/06/92/99/584069299.db2.gz BZOXDTVZJPMWQO-UONOGXRCSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)CC1CCCC1 ZINC000897966404 584069248 /nfs/dbraw/zinc/06/92/48/584069248.db2.gz BZOXDTVZJPMWQO-ZIAGYGMSSA-N 1 0 246.398 3.571 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969231 584069985 /nfs/dbraw/zinc/06/99/85/584069985.db2.gz GWSYPLHKUDOQSP-KBPBESRZSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969232 584069721 /nfs/dbraw/zinc/06/97/21/584069721.db2.gz GWSYPLHKUDOQSP-KGLIPLIRSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969233 584069830 /nfs/dbraw/zinc/06/98/30/584069830.db2.gz GWSYPLHKUDOQSP-UONOGXRCSA-N 1 0 234.387 3.571 20 0 BHADRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969234 584069670 /nfs/dbraw/zinc/06/96/70/584069670.db2.gz GWSYPLHKUDOQSP-ZIAGYGMSSA-N 1 0 234.387 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+]C1CCC(C)(C)CC1 ZINC000897969648 584061373 /nfs/dbraw/zinc/06/13/73/584061373.db2.gz LZXAHDPVBIUXEW-CYBMUJFWSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+]C1CCC(C)(C)CC1 ZINC000897969649 584061526 /nfs/dbraw/zinc/06/15/26/584061526.db2.gz LZXAHDPVBIUXEW-ZDUSSCGKSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@@H](C)Cc2cccnc2)CC1 ZINC000897969951 584061251 /nfs/dbraw/zinc/06/12/51/584061251.db2.gz PEPFUGHXQFSRBR-HLIUYOAVSA-N 1 0 246.398 3.571 20 0 BHADRO CCC1CCC([NH2+][C@H](C)Cc2cccnc2)CC1 ZINC000897969952 584061652 /nfs/dbraw/zinc/06/16/52/584061652.db2.gz PEPFUGHXQFSRBR-VQCLRJIVSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969969 584061281 /nfs/dbraw/zinc/06/12/81/584061281.db2.gz PTVXZTOTXGOKAJ-DZGCQCFKSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969970 584061441 /nfs/dbraw/zinc/06/14/41/584061441.db2.gz PTVXZTOTXGOKAJ-HIFRSBDPSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@@H](CC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969971 584061706 /nfs/dbraw/zinc/06/17/06/584061706.db2.gz PTVXZTOTXGOKAJ-UKRRQHHQSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@H](CC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969972 584061673 /nfs/dbraw/zinc/06/16/73/584061673.db2.gz PTVXZTOTXGOKAJ-ZFWWWQNUSA-N 1 0 234.387 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000897971432 584061468 /nfs/dbraw/zinc/06/14/68/584061468.db2.gz YTYUOYISUJNGTD-DZGCQCFKSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000897971434 584061347 /nfs/dbraw/zinc/06/13/47/584061347.db2.gz YTYUOYISUJNGTD-HIFRSBDPSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000897971435 584061702 /nfs/dbraw/zinc/06/17/02/584061702.db2.gz YTYUOYISUJNGTD-UKRRQHHQSA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000897971437 584061435 /nfs/dbraw/zinc/06/14/35/584061435.db2.gz YTYUOYISUJNGTD-ZFWWWQNUSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC000897971493 584061686 /nfs/dbraw/zinc/06/16/86/584061686.db2.gz ZFJUECSJMOCEIA-FMKPAKJESA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC000897971496 584061518 /nfs/dbraw/zinc/06/15/18/584061518.db2.gz ZFJUECSJMOCEIA-IIAWOOMASA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC000897971499 584061499 /nfs/dbraw/zinc/06/14/99/584061499.db2.gz ZFJUECSJMOCEIA-LZWOXQAQSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC000897971500 584061492 /nfs/dbraw/zinc/06/14/92/584061492.db2.gz ZFJUECSJMOCEIA-SQWLQELKSA-N 1 0 246.398 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897971517 584061746 /nfs/dbraw/zinc/06/17/46/584061746.db2.gz ZKNQPVIFPVKOQM-CYBMUJFWSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC(CCC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897971520 584061383 /nfs/dbraw/zinc/06/13/83/584061383.db2.gz ZKNQPVIFPVKOQM-ZDUSSCGKSA-N 1 0 234.387 3.571 20 0 BHADRO CCCC[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897973681 584062340 /nfs/dbraw/zinc/06/23/40/584062340.db2.gz WNZWPJOYLVRUHA-DNOWBOINSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897973682 584062188 /nfs/dbraw/zinc/06/21/88/584062188.db2.gz WNZWPJOYLVRUHA-OPFPJEHXSA-N 1 0 239.403 3.502 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C1CC1)C(C)(C)C ZINC000897994942 584070130 /nfs/dbraw/zinc/07/01/30/584070130.db2.gz KCCBOIVQRVGPNC-DOMZBBRYSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C1CC1)C(C)(C)C ZINC000897994943 584069967 /nfs/dbraw/zinc/06/99/67/584069967.db2.gz KCCBOIVQRVGPNC-IUODEOHRSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C1CC1)C(C)(C)C ZINC000897994944 584069954 /nfs/dbraw/zinc/06/99/54/584069954.db2.gz KCCBOIVQRVGPNC-SWLSCSKDSA-N 1 0 246.398 3.865 20 0 BHADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C1CC1)C(C)(C)C ZINC000897994945 584070028 /nfs/dbraw/zinc/07/00/28/584070028.db2.gz KCCBOIVQRVGPNC-WFASDCNBSA-N 1 0 246.398 3.865 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000898013455 584073902 /nfs/dbraw/zinc/07/39/02/584073902.db2.gz BRJBWZNAUITWPR-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000898013456 584073670 /nfs/dbraw/zinc/07/36/70/584073670.db2.gz BRJBWZNAUITWPR-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C1CC1 ZINC000898013457 584073519 /nfs/dbraw/zinc/07/35/19/584073519.db2.gz BRJBWZNAUITWPR-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C1CC1 ZINC000898013458 584073956 /nfs/dbraw/zinc/07/39/56/584073956.db2.gz BRJBWZNAUITWPR-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898014103 584074178 /nfs/dbraw/zinc/07/41/78/584074178.db2.gz NRHSJEUPPRISHJ-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898014104 584074321 /nfs/dbraw/zinc/07/43/21/584074321.db2.gz NRHSJEUPPRISHJ-QJPTWQEYSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898014105 584074223 /nfs/dbraw/zinc/07/42/23/584074223.db2.gz NRHSJEUPPRISHJ-TUAOUCFPSA-N 1 0 231.330 3.590 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898014106 584074175 /nfs/dbraw/zinc/07/41/75/584074175.db2.gz NRHSJEUPPRISHJ-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1occc1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898014109 584074301 /nfs/dbraw/zinc/07/43/01/584074301.db2.gz NVAOGVADGCJOFO-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1occc1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898014110 584074387 /nfs/dbraw/zinc/07/43/87/584074387.db2.gz NVAOGVADGCJOFO-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000898014123 584074225 /nfs/dbraw/zinc/07/42/25/584074225.db2.gz NZAZDOOKGMUCPL-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000898014124 584074221 /nfs/dbraw/zinc/07/42/21/584074221.db2.gz NZAZDOOKGMUCPL-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000898014125 584074065 /nfs/dbraw/zinc/07/40/65/584074065.db2.gz NZAZDOOKGMUCPL-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000898014126 584074333 /nfs/dbraw/zinc/07/43/33/584074333.db2.gz NZAZDOOKGMUCPL-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898014146 584074370 /nfs/dbraw/zinc/07/43/70/584074370.db2.gz OHOAWYAQYDFRMB-FVCCEPFGSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898014148 584074347 /nfs/dbraw/zinc/07/43/47/584074347.db2.gz OHOAWYAQYDFRMB-NDBYEHHHSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898014150 584074122 /nfs/dbraw/zinc/07/41/22/584074122.db2.gz OHOAWYAQYDFRMB-QNWHQSFQSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898014152 584074067 /nfs/dbraw/zinc/07/40/67/584074067.db2.gz OHOAWYAQYDFRMB-RNJOBUHISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000898014154 584074194 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FC1(F)CC[C@H](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000898014337 584074350 /nfs/dbraw/zinc/07/43/50/584074350.db2.gz QHGIPQSDUAKVGB-RTXFEEFZSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000898014338 584074281 /nfs/dbraw/zinc/07/42/81/584074281.db2.gz QHGIPQSDUAKVGB-WXHSDQCUSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000898014619 584074154 /nfs/dbraw/zinc/07/41/54/584074154.db2.gz SKGSWHLSDSYHNN-NEPJUHHUSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000898014620 584074351 /nfs/dbraw/zinc/07/43/51/584074351.db2.gz SKGSWHLSDSYHNN-NWDGAFQWSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000898014621 584074421 /nfs/dbraw/zinc/07/44/21/584074421.db2.gz SKGSWHLSDSYHNN-RYUDHWBXSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000898014622 584074161 /nfs/dbraw/zinc/07/41/61/584074161.db2.gz SKGSWHLSDSYHNN-VXGBXAGGSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000898014907 584074236 /nfs/dbraw/zinc/07/42/36/584074236.db2.gz UXAFZWQYRJWVJG-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000898014908 584074127 /nfs/dbraw/zinc/07/41/27/584074127.db2.gz UXAFZWQYRJWVJG-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO Cc1coc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000898014962 584074196 /nfs/dbraw/zinc/07/41/96/584074196.db2.gz VYJCNZMZUYQLSS-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1coc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000898014963 584074055 /nfs/dbraw/zinc/07/40/55/584074055.db2.gz VYJCNZMZUYQLSS-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO CCC(CC)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898016783 584075148 /nfs/dbraw/zinc/07/51/48/584075148.db2.gz CADIXQAWJWBKAX-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CCC(CC)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898016784 584075147 /nfs/dbraw/zinc/07/51/47/584075147.db2.gz CADIXQAWJWBKAX-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC000898016846 584075491 /nfs/dbraw/zinc/07/54/91/584075491.db2.gz DEWOHZHHDLLOSF-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC000898016847 584075483 /nfs/dbraw/zinc/07/54/83/584075483.db2.gz DEWOHZHHDLLOSF-IJLUTSLNSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC000898016849 584075388 /nfs/dbraw/zinc/07/53/88/584075388.db2.gz DEWOHZHHDLLOSF-UTUOFQBUSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC000898016850 584075227 /nfs/dbraw/zinc/07/52/27/584075227.db2.gz DEWOHZHHDLLOSF-WOPDTQHZSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017045 584075192 /nfs/dbraw/zinc/07/51/92/584075192.db2.gz GYTUVHDMRXVNHW-GRYCIOLGSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017046 584075438 /nfs/dbraw/zinc/07/54/38/584075438.db2.gz 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/nfs/dbraw/zinc/07/54/97/584075497.db2.gz PBAWOXVDOKFCNL-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017693 584075354 /nfs/dbraw/zinc/07/53/54/584075354.db2.gz QSUILMTUVZZFHJ-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](CC1CC1)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017696 584075457 /nfs/dbraw/zinc/07/54/57/584075457.db2.gz QSUILMTUVZZFHJ-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017698 584075141 /nfs/dbraw/zinc/07/51/41/584075141.db2.gz QSUILMTUVZZFHJ-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H](CC1CC1)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017701 584075200 /nfs/dbraw/zinc/07/52/00/584075200.db2.gz QSUILMTUVZZFHJ-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC000898017758 584075470 /nfs/dbraw/zinc/07/54/70/584075470.db2.gz RZIXRKZKSDALIU-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC000898017759 584075161 /nfs/dbraw/zinc/07/51/61/584075161.db2.gz RZIXRKZKSDALIU-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018015 584075391 /nfs/dbraw/zinc/07/53/91/584075391.db2.gz WWSXCNATACYBQR-GHMZBOCLSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018016 584075503 /nfs/dbraw/zinc/07/55/03/584075503.db2.gz WWSXCNATACYBQR-MNOVXSKESA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018017 584075225 /nfs/dbraw/zinc/07/52/25/584075225.db2.gz WWSXCNATACYBQR-QWRGUYRKSA-N 1 0 219.319 3.590 20 0 BHADRO CCC[C@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018018 584075456 /nfs/dbraw/zinc/07/54/56/584075456.db2.gz WWSXCNATACYBQR-WDEREUQCSA-N 1 0 219.319 3.590 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC000898019562 584075685 /nfs/dbraw/zinc/07/56/85/584075685.db2.gz OEQOMVDILJFRIS-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC000898019565 584075984 /nfs/dbraw/zinc/07/59/84/584075984.db2.gz OEQOMVDILJFRIS-SNVBAGLBSA-N 1 0 245.338 3.663 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898019873 584075917 /nfs/dbraw/zinc/07/59/17/584075917.db2.gz UTLWBBRFXVQFOW-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccoc1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898019875 584076041 /nfs/dbraw/zinc/07/60/41/584076041.db2.gz UTLWBBRFXVQFOW-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)o1 ZINC000898019882 584075737 /nfs/dbraw/zinc/07/57/37/584075737.db2.gz UYQVAUKSOWSZBC-LLVKDONJSA-N 1 0 243.297 3.503 20 0 BHADRO Cc1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)o1 ZINC000898019884 584075683 /nfs/dbraw/zinc/07/56/83/584075683.db2.gz UYQVAUKSOWSZBC-NSHDSACASA-N 1 0 243.297 3.503 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+]Cc2cccs2)C1 ZINC000898020097 584075693 /nfs/dbraw/zinc/07/56/93/584075693.db2.gz XZOXZLHKYMNPNX-JTQLQIEISA-N 1 0 245.338 3.663 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+]Cc2cccs2)C1 ZINC000898020098 584076234 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ZINC000898032182 584077312 /nfs/dbraw/zinc/07/73/12/584077312.db2.gz LMAQDGRHZQOHHB-YNEHKIRRSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]1CC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032321 584077907 /nfs/dbraw/zinc/07/79/07/584077907.db2.gz ZZWYKFQSHHHUAB-CMPLNLGQSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]1CC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032322 584078602 /nfs/dbraw/zinc/07/86/02/584078602.db2.gz ZZWYKFQSHHHUAB-JQWIXIFHSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032323 584078437 /nfs/dbraw/zinc/07/84/37/584078437.db2.gz ZZWYKFQSHHHUAB-PWSUYJOCSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H]1CC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032324 584078266 /nfs/dbraw/zinc/07/82/66/584078266.db2.gz ZZWYKFQSHHHUAB-ZYHUDNBSSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@H]2CCC=CCCC2)o1 ZINC000898032404 584078161 /nfs/dbraw/zinc/07/81/61/584078161.db2.gz PVJUKQKAQPAKDH-AWEZNQCLSA-N 1 0 248.370 3.518 20 0 BHADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CCC=CCCC2)o1 ZINC000898032405 584078330 /nfs/dbraw/zinc/07/83/30/584078330.db2.gz PVJUKQKAQPAKDH-CQSZACIVSA-N 1 0 248.370 3.518 20 0 BHADRO C1=CCC[C@@H](C[NH2+]C2CCSCC2)CCC1 ZINC000898032745 584078446 /nfs/dbraw/zinc/07/84/46/584078446.db2.gz WWHBLTUXGMKRLB-CYBMUJFWSA-N 1 0 239.428 3.608 20 0 BHADRO C1=CCC[C@H](C[NH2+]C2CCSCC2)CCC1 ZINC000898032746 584077992 /nfs/dbraw/zinc/07/79/92/584077992.db2.gz WWHBLTUXGMKRLB-ZDUSSCGKSA-N 1 0 239.428 3.608 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000898180334 584093116 /nfs/dbraw/zinc/09/31/16/584093116.db2.gz XROZMGJKZNJGKK-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000898180335 584093533 /nfs/dbraw/zinc/09/35/33/584093533.db2.gz XROZMGJKZNJGKK-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000898223845 584102381 /nfs/dbraw/zinc/10/23/81/584102381.db2.gz HNIFZGOMRLJFTD-ZYHUDNBSSA-N 1 0 229.314 3.509 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000898224089 584102058 /nfs/dbraw/zinc/10/20/58/584102058.db2.gz NZHFOGFYNDBTDN-IKWCTNDRSA-N 1 0 243.341 3.755 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000898224504 584102883 /nfs/dbraw/zinc/10/28/83/584102883.db2.gz ZAHNHWINWZCXIQ-GMTAPVOTSA-N 1 0 235.293 3.662 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000898224505 584102876 /nfs/dbraw/zinc/10/28/76/584102876.db2.gz ZAHNHWINWZCXIQ-OUAUKWLOSA-N 1 0 235.293 3.662 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]CCc1cccnc1C ZINC000898254636 584101822 /nfs/dbraw/zinc/10/18/22/584101822.db2.gz DWHYAVFLWJVJMR-AWEZNQCLSA-N 1 0 246.398 3.657 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]CCc1cccnc1C ZINC000898254637 584101820 /nfs/dbraw/zinc/10/18/20/584101820.db2.gz DWHYAVFLWJVJMR-CQSZACIVSA-N 1 0 246.398 3.657 20 0 BHADRO CSCC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000898304324 584108782 /nfs/dbraw/zinc/10/87/82/584108782.db2.gz CBBNLLYWGCREOL-KBPBESRZSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000898305412 584109060 /nfs/dbraw/zinc/10/90/60/584109060.db2.gz CBBNLLYWGCREOL-KGLIPLIRSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000898305413 584108940 /nfs/dbraw/zinc/10/89/40/584108940.db2.gz CBBNLLYWGCREOL-UONOGXRCSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000898305414 584108858 /nfs/dbraw/zinc/10/88/58/584108858.db2.gz CBBNLLYWGCREOL-ZIAGYGMSSA-N 1 0 249.423 3.521 20 0 BHADRO CSCC(C)(C)[NH2+]Cc1cscc1Cl ZINC000898305498 584109112 /nfs/dbraw/zinc/10/91/12/584109112.db2.gz GIDAKYGTPWXTCP-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC(C)(C)[NH2+]Cc1cc(Cl)cs1 ZINC000898305606 584108849 /nfs/dbraw/zinc/10/88/49/584108849.db2.gz KTOLVTWSHIVIFS-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@H]1C[C@@H]1C ZINC000898319009 584110689 /nfs/dbraw/zinc/11/06/89/584110689.db2.gz WZQKMAVCRDGYGR-DDWPSWQVSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@@H]1C[C@H]1C ZINC000898319010 584110720 /nfs/dbraw/zinc/11/07/20/584110720.db2.gz WZQKMAVCRDGYGR-FWYOQMDTSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@H]1C[C@H]1C ZINC000898319011 584111203 /nfs/dbraw/zinc/11/12/03/584111203.db2.gz WZQKMAVCRDGYGR-MEYUZBJRSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@@H]1C[C@@H]1C ZINC000898319012 584110738 /nfs/dbraw/zinc/11/07/38/584110738.db2.gz WZQKMAVCRDGYGR-MWNCTCPHSA-N 1 0 244.382 3.557 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898319246 584110768 /nfs/dbraw/zinc/11/07/68/584110768.db2.gz BGJUUBMNVMIPSY-CVEARBPZSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898319247 584110748 /nfs/dbraw/zinc/11/07/48/584110748.db2.gz BGJUUBMNVMIPSY-HOTGVXAUSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898319248 584111134 /nfs/dbraw/zinc/11/11/34/584111134.db2.gz BGJUUBMNVMIPSY-HZPDHXFCSA-N 1 0 242.366 3.621 20 0 BHADRO CC1=CC[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898319249 584111212 /nfs/dbraw/zinc/11/12/12/584111212.db2.gz BGJUUBMNVMIPSY-JKSUJKDBSA-N 1 0 242.366 3.621 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898320859 584107042 /nfs/dbraw/zinc/10/70/42/584107042.db2.gz NRSMRXGRDFMZNO-DOMZBBRYSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898320860 584107169 /nfs/dbraw/zinc/10/71/69/584107169.db2.gz NRSMRXGRDFMZNO-IUODEOHRSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898320861 584107116 /nfs/dbraw/zinc/10/71/16/584107116.db2.gz NRSMRXGRDFMZNO-SWLSCSKDSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898320862 584107041 /nfs/dbraw/zinc/10/70/41/584107041.db2.gz NRSMRXGRDFMZNO-WFASDCNBSA-N 1 0 246.398 3.947 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321412 584106905 /nfs/dbraw/zinc/10/69/05/584106905.db2.gz RLQBVCJWGZESLN-ARFHVFGLSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321413 584106875 /nfs/dbraw/zinc/10/68/75/584106875.db2.gz RLQBVCJWGZESLN-HRCADAONSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321414 584107086 /nfs/dbraw/zinc/10/70/86/584107086.db2.gz RLQBVCJWGZESLN-JYJNAYRXSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321415 584106886 /nfs/dbraw/zinc/10/68/86/584106886.db2.gz RLQBVCJWGZESLN-XHSDSOJGSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1CCCC1 ZINC000898321490 584107152 /nfs/dbraw/zinc/10/71/52/584107152.db2.gz AFCNBJQJHHVZDP-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C1CCCC1 ZINC000898321491 584107108 /nfs/dbraw/zinc/10/71/08/584107108.db2.gz AFCNBJQJHHVZDP-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1CCCC1 ZINC000898321492 584107175 /nfs/dbraw/zinc/10/71/75/584107175.db2.gz AFCNBJQJHHVZDP-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C1CCCC1 ZINC000898321493 584107176 /nfs/dbraw/zinc/10/71/76/584107176.db2.gz AFCNBJQJHHVZDP-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321512 584106867 /nfs/dbraw/zinc/10/68/67/584106867.db2.gz AMAFSXTWUFMJRK-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321513 584107107 /nfs/dbraw/zinc/10/71/07/584107107.db2.gz AMAFSXTWUFMJRK-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321514 584107146 /nfs/dbraw/zinc/10/71/46/584107146.db2.gz AMAFSXTWUFMJRK-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321515 584107093 /nfs/dbraw/zinc/10/70/93/584107093.db2.gz AMAFSXTWUFMJRK-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321534 584107258 /nfs/dbraw/zinc/10/72/58/584107258.db2.gz ASUQSMFDJKDGLV-CABCVRRESA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321535 584106891 /nfs/dbraw/zinc/10/68/91/584106891.db2.gz ASUQSMFDJKDGLV-GJZGRUSLSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321536 584107179 /nfs/dbraw/zinc/10/71/79/584107179.db2.gz ASUQSMFDJKDGLV-HUUCEWRRSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321537 584107125 /nfs/dbraw/zinc/10/71/25/584107125.db2.gz ASUQSMFDJKDGLV-LSDHHAIUSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321697 584107144 /nfs/dbraw/zinc/10/71/44/584107144.db2.gz BTEYRTZDLDTNNE-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321698 584106880 /nfs/dbraw/zinc/10/68/80/584106880.db2.gz BTEYRTZDLDTNNE-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321699 584107081 /nfs/dbraw/zinc/10/70/81/584107081.db2.gz BTEYRTZDLDTNNE-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321700 584106874 /nfs/dbraw/zinc/10/68/74/584106874.db2.gz BTEYRTZDLDTNNE-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CC1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898322321 584107205 /nfs/dbraw/zinc/10/72/05/584107205.db2.gz JIHHILMKDAHERV-MOQPWLNLSA-N 1 0 244.382 3.701 20 0 BHADRO CC1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898322322 584107128 /nfs/dbraw/zinc/10/71/28/584107128.db2.gz JIHHILMKDAHERV-VDSRIPIWSA-N 1 0 244.382 3.701 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322449 584106902 /nfs/dbraw/zinc/10/69/02/584106902.db2.gz LNVSCLRHSYJZMS-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322450 584106963 /nfs/dbraw/zinc/10/69/63/584106963.db2.gz LNVSCLRHSYJZMS-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322451 584106876 /nfs/dbraw/zinc/10/68/76/584106876.db2.gz LNVSCLRHSYJZMS-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322452 584106939 /nfs/dbraw/zinc/10/69/39/584106939.db2.gz LNVSCLRHSYJZMS-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)C1CC([NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000898322653 584107223 /nfs/dbraw/zinc/10/72/23/584107223.db2.gz OWMHUKJEZAUITF-GPANFISMSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000898322654 584107064 /nfs/dbraw/zinc/10/70/64/584107064.db2.gz OWMHUKJEZAUITF-UYSNPLJNSA-N 1 0 244.382 3.557 20 0 BHADRO c1cc([C@@H]([NH2+]C2CCCCCC2)C2CC2)ccn1 ZINC000898322831 584107171 /nfs/dbraw/zinc/10/71/71/584107171.db2.gz RYZVIWXRPQIANG-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1cc([C@H]([NH2+]C2CCCCCC2)C2CC2)ccn1 ZINC000898322832 584107255 /nfs/dbraw/zinc/10/72/55/584107255.db2.gz RYZVIWXRPQIANG-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322863 584107012 /nfs/dbraw/zinc/10/70/12/584107012.db2.gz SQEWMXKQJFGYHD-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322864 584107094 /nfs/dbraw/zinc/10/70/94/584107094.db2.gz SQEWMXKQJFGYHD-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322865 584107118 /nfs/dbraw/zinc/10/71/18/584107118.db2.gz SQEWMXKQJFGYHD-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322866 584106907 /nfs/dbraw/zinc/10/69/07/584106907.db2.gz SQEWMXKQJFGYHD-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000898323141 584107392 /nfs/dbraw/zinc/10/73/92/584107392.db2.gz YKNLZUOMSVXFIW-DAXOMENPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000898323142 584107621 /nfs/dbraw/zinc/10/76/21/584107621.db2.gz YKNLZUOMSVXFIW-KCXAZCMYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000898323143 584107636 /nfs/dbraw/zinc/10/76/36/584107636.db2.gz YKNLZUOMSVXFIW-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000898323144 584107522 /nfs/dbraw/zinc/10/75/22/584107522.db2.gz YKNLZUOMSVXFIW-WQVCFCJDSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323201 584107717 /nfs/dbraw/zinc/10/77/17/584107717.db2.gz ZHTSOAUDRIBMMA-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323202 584107448 /nfs/dbraw/zinc/10/74/48/584107448.db2.gz ZHTSOAUDRIBMMA-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323203 584107608 /nfs/dbraw/zinc/10/76/08/584107608.db2.gz ZHTSOAUDRIBMMA-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323204 584107554 /nfs/dbraw/zinc/10/75/54/584107554.db2.gz ZHTSOAUDRIBMMA-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO Fc1cc(C[NH2+]C/C=C/Cl)ccc1C(F)F ZINC000898428769 584133288 /nfs/dbraw/zinc/13/32/88/584133288.db2.gz PEXDZYLUVKGXIV-DAFODLJHSA-N 1 0 249.663 3.605 20 0 BHADRO Fc1cc(C[NH2+]C/C=C\Cl)ccc1C(F)F ZINC000898428774 584133193 /nfs/dbraw/zinc/13/31/93/584133193.db2.gz PEXDZYLUVKGXIV-RJRFIUFISA-N 1 0 249.663 3.605 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)[C@@H]1C[C@H]1c1cccs1 ZINC000898430299 584134410 /nfs/dbraw/zinc/13/44/10/584134410.db2.gz YFHHXABTTJUUDU-DGVOVDLGSA-N 1 0 241.787 3.582 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)[C@@H]1C[C@H]1c1cccs1 ZINC000898430300 584134048 /nfs/dbraw/zinc/13/40/48/584134048.db2.gz YFHHXABTTJUUDU-OYBBBQMASA-N 1 0 241.787 3.582 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1C[C@H]1c1cccs1 ZINC000898430301 584134333 /nfs/dbraw/zinc/13/43/33/584134333.db2.gz YFHHXABTTJUUDU-WZSSMAHHSA-N 1 0 241.787 3.582 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1C[C@H]1c1cccs1 ZINC000898430302 584134599 /nfs/dbraw/zinc/13/45/99/584134599.db2.gz YFHHXABTTJUUDU-YNCHDLSXSA-N 1 0 241.787 3.582 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C/C=C\Cl)C1 ZINC000898433106 584135041 /nfs/dbraw/zinc/13/50/41/584135041.db2.gz LCBLEWSTEYTSQL-DAXSKMNVSA-N 1 0 235.758 3.583 20 0 BHADRO Cc1ccccc1C1CC([NH2+]C/C=C/Cl)C1 ZINC000898433108 584134798 /nfs/dbraw/zinc/13/47/98/584134798.db2.gz LCBLEWSTEYTSQL-QPJJXVBHSA-N 1 0 235.758 3.583 20 0 BHADRO Cc1ccc(C2CC([NH2+]C/C=C/Cl)C2)cc1 ZINC000898433282 584135043 /nfs/dbraw/zinc/13/50/43/584135043.db2.gz LTJACYGWWOORSO-FARCUNLSSA-N 1 0 235.758 3.583 20 0 BHADRO Cc1ccc(C2CC([NH2+]C/C=C\Cl)C2)cc1 ZINC000898433283 584135410 /nfs/dbraw/zinc/13/54/10/584135410.db2.gz LTJACYGWWOORSO-UQCOIBPSSA-N 1 0 235.758 3.583 20 0 BHADRO Cc1ccccc1-c1cc(C[NH2+]C(C)(C)C)on1 ZINC000901386568 584436207 /nfs/dbraw/zinc/43/62/07/584436207.db2.gz CNWSZVGLTDRVDH-UHFFFAOYSA-N 1 0 244.338 3.538 20 0 BHADRO CC(C)c1ccc(-c2cc(C(C)(C)[NH3+])on2)cc1 ZINC000901389440 584436990 /nfs/dbraw/zinc/43/69/90/584436990.db2.gz AOFSXHXFCDZTOG-UHFFFAOYSA-N 1 0 244.338 3.659 20 0 BHADRO C[NH2+][C@H](C)c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000901389643 584437357 /nfs/dbraw/zinc/43/73/57/584437357.db2.gz FGXLEBVKJRYZSR-LLVKDONJSA-N 1 0 244.338 3.745 20 0 BHADRO C[NH2+][C@@H](C)c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000901389644 584437361 /nfs/dbraw/zinc/43/73/61/584437361.db2.gz FGXLEBVKJRYZSR-NSHDSACASA-N 1 0 244.338 3.745 20 0 BHADRO CNc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000902028399 584513159 /nfs/dbraw/zinc/51/31/59/584513159.db2.gz QDWQQJJKFOXPKB-CYBMUJFWSA-N 1 0 240.350 3.579 20 0 BHADRO CNc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000902028401 584513238 /nfs/dbraw/zinc/51/32/38/584513238.db2.gz QDWQQJJKFOXPKB-ZDUSSCGKSA-N 1 0 240.350 3.579 20 0 BHADRO CNc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000902526913 584632612 /nfs/dbraw/zinc/63/26/12/584632612.db2.gz COGBJIJVRBFSTK-UHFFFAOYSA-N 1 0 244.382 3.541 20 0 BHADRO CNc1ccccc1C[NH2+][C@H](C)c1ccsc1 ZINC000902537400 584628392 /nfs/dbraw/zinc/62/83/92/584628392.db2.gz NOAJVRFSIFRTIL-LLVKDONJSA-N 1 0 246.379 3.641 20 0 BHADRO CNc1ccccc1C[NH2+][C@@H](C)c1ccsc1 ZINC000902537402 584628340 /nfs/dbraw/zinc/62/83/40/584628340.db2.gz NOAJVRFSIFRTIL-NSHDSACASA-N 1 0 246.379 3.641 20 0 BHADRO CNc1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000902597916 584640245 /nfs/dbraw/zinc/64/02/45/584640245.db2.gz ZYHPSWFKERSRGJ-UHFFFAOYSA-N 1 0 244.382 3.541 20 0 BHADRO CCNc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000902616091 584644298 /nfs/dbraw/zinc/64/42/98/584644298.db2.gz PMUUFKYDICHMLS-UHFFFAOYSA-N 1 0 244.382 3.541 20 0 BHADRO CCNc1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000902628856 584646259 /nfs/dbraw/zinc/64/62/59/584646259.db2.gz HDDMPFMHRMEAAL-HNNXBMFYSA-N 1 0 244.382 3.541 20 0 BHADRO CCNc1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000902628857 584646415 /nfs/dbraw/zinc/64/64/15/584646415.db2.gz HDDMPFMHRMEAAL-OAHLLOKOSA-N 1 0 244.382 3.541 20 0 BHADRO CNc1ccccc1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902681791 584655440 /nfs/dbraw/zinc/65/54/40/584655440.db2.gz HOAJDPWKWYBOSW-AWEZNQCLSA-N 1 0 244.382 3.541 20 0 BHADRO CNc1ccccc1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902681792 584655510 /nfs/dbraw/zinc/65/55/10/584655510.db2.gz HOAJDPWKWYBOSW-CQSZACIVSA-N 1 0 244.382 3.541 20 0 BHADRO CCCCC1([NH2+]Cc2ccccc2NC)CC1 ZINC000902689630 584656312 /nfs/dbraw/zinc/65/63/12/584656312.db2.gz LQISYNJIGWMCRJ-UHFFFAOYSA-N 1 0 232.371 3.541 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000902690018 584656630 /nfs/dbraw/zinc/65/66/30/584656630.db2.gz BVJDSJHQSTYPMQ-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000902690019 584656555 /nfs/dbraw/zinc/65/65/55/584656555.db2.gz BVJDSJHQSTYPMQ-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000902690918 637323611 /nfs/dbraw/zinc/32/36/11/637323611.db2.gz YSIODXHUWZPAHI-KBPBESRZSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000902690919 637324115 /nfs/dbraw/zinc/32/41/15/637324115.db2.gz YSIODXHUWZPAHI-KGLIPLIRSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1([NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000902690920 637323623 /nfs/dbraw/zinc/32/36/23/637323623.db2.gz YSIODXHUWZPAHI-UONOGXRCSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000902690921 637324177 /nfs/dbraw/zinc/32/41/77/637324177.db2.gz YSIODXHUWZPAHI-ZIAGYGMSSA-N 1 0 239.403 3.502 20 0 BHADRO CCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720093 584659543 /nfs/dbraw/zinc/65/95/43/584659543.db2.gz BYTZEEHPKCKFRY-SECBINFHSA-N 1 0 246.276 3.551 20 0 BHADRO CCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720094 584659508 /nfs/dbraw/zinc/65/95/08/584659508.db2.gz BYTZEEHPKCKFRY-VIFPVBQESA-N 1 0 246.276 3.551 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721148 584659970 /nfs/dbraw/zinc/65/99/70/584659970.db2.gz UVDWGCBIRMJETP-BDAKNGLRSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721150 584659727 /nfs/dbraw/zinc/65/97/27/584659727.db2.gz UVDWGCBIRMJETP-DTWKUNHWSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721151 584659794 /nfs/dbraw/zinc/65/97/94/584659794.db2.gz UVDWGCBIRMJETP-IUCAKERBSA-N 1 0 246.276 3.550 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721153 584660005 /nfs/dbraw/zinc/66/00/05/584660005.db2.gz UVDWGCBIRMJETP-RKDXNWHRSA-N 1 0 246.276 3.550 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902804054 584671370 /nfs/dbraw/zinc/67/13/70/584671370.db2.gz MIKSGDGHIJFVEJ-WBMYTEFPSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902804055 584671401 /nfs/dbraw/zinc/67/14/01/584671401.db2.gz MIKSGDGHIJFVEJ-WTDIUWLJSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902804056 584671163 /nfs/dbraw/zinc/67/11/63/584671163.db2.gz MIKSGDGHIJFVEJ-XDTLVQLUSA-N 1 0 248.370 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902804057 584671237 /nfs/dbraw/zinc/67/12/37/584671237.db2.gz MIKSGDGHIJFVEJ-ZWKOPEQDSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)c1ccncc1 ZINC000902816746 584678164 /nfs/dbraw/zinc/67/81/64/584678164.db2.gz QYWZHBRPKCUFOU-DZKIICNBSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)c1ccncc1 ZINC000902816747 584678451 /nfs/dbraw/zinc/67/84/51/584678451.db2.gz QYWZHBRPKCUFOU-FMKPAKJESA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1ccncc1 ZINC000902816748 584678477 /nfs/dbraw/zinc/67/84/77/584678477.db2.gz QYWZHBRPKCUFOU-FZKCQIBNSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1ccncc1 ZINC000902816749 584678236 /nfs/dbraw/zinc/67/82/36/584678236.db2.gz QYWZHBRPKCUFOU-QKPAOTATSA-N 1 0 244.382 3.701 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902849315 584681962 /nfs/dbraw/zinc/68/19/62/584681962.db2.gz KYPKKNMFTHKGEV-APIJFGDWSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902849316 584681986 /nfs/dbraw/zinc/68/19/86/584681986.db2.gz KYPKKNMFTHKGEV-BFHYXJOUSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902849317 584681798 /nfs/dbraw/zinc/68/17/98/584681798.db2.gz KYPKKNMFTHKGEV-IHRRRGAJSA-N 1 0 244.382 3.619 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902849318 584681947 /nfs/dbraw/zinc/68/19/47/584681947.db2.gz KYPKKNMFTHKGEV-XQLPTFJDSA-N 1 0 244.382 3.619 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902880618 584687959 /nfs/dbraw/zinc/68/79/59/584687959.db2.gz KJSYOKZHGFOAIQ-RNJOBUHISA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902880619 584687917 /nfs/dbraw/zinc/68/79/17/584687917.db2.gz KJSYOKZHGFOAIQ-SRVKXCTJSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902880620 584687819 /nfs/dbraw/zinc/68/78/19/584687819.db2.gz KJSYOKZHGFOAIQ-UTUOFQBUSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902880621 584687831 /nfs/dbraw/zinc/68/78/31/584687831.db2.gz KJSYOKZHGFOAIQ-YVECIDJPSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902889932 584689530 /nfs/dbraw/zinc/68/95/30/584689530.db2.gz SWGNEVWMJMFXKJ-GHMZBOCLSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902889933 584689940 /nfs/dbraw/zinc/68/99/40/584689940.db2.gz SWGNEVWMJMFXKJ-PTEHBNRSSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902889934 584689948 /nfs/dbraw/zinc/68/99/48/584689948.db2.gz SWGNEVWMJMFXKJ-QWRGUYRKSA-N 1 0 243.341 3.733 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902953243 584704816 /nfs/dbraw/zinc/70/48/16/584704816.db2.gz BOCUFKPPHFXNLQ-GARJFASQSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902953244 584704957 /nfs/dbraw/zinc/70/49/57/584704957.db2.gz BOCUFKPPHFXNLQ-GMTAPVOTSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902953245 584705103 /nfs/dbraw/zinc/70/51/03/584705103.db2.gz BOCUFKPPHFXNLQ-USZNOCQGSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902953246 584704834 /nfs/dbraw/zinc/70/48/34/584704834.db2.gz BOCUFKPPHFXNLQ-WRWGMCAJSA-N 1 0 249.320 3.886 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902979293 584708130 /nfs/dbraw/zinc/70/81/30/584708130.db2.gz QHPWTHOCCJDVIL-FVCCEPFGSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902979294 584708060 /nfs/dbraw/zinc/70/80/60/584708060.db2.gz QHPWTHOCCJDVIL-QJPTWQEYSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902979295 584708077 /nfs/dbraw/zinc/70/80/77/584708077.db2.gz QHPWTHOCCJDVIL-RVMXOQNASA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902979296 584707932 /nfs/dbraw/zinc/70/79/32/584707932.db2.gz QHPWTHOCCJDVIL-SRVKXCTJSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)(C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(F)(F)F ZINC000902981714 584708482 /nfs/dbraw/zinc/70/84/82/584708482.db2.gz CVBCZBWNCPLQGU-JGPRNRPPSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+]C1C[C@H]2CCC[C@@H]2C1)C(F)(F)F ZINC000902981716 584708334 /nfs/dbraw/zinc/70/83/34/584708334.db2.gz CVBCZBWNCPLQGU-NXEZZACHSA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C[NH2+]C1C[C@@H]2CCC[C@H]2C1)C(F)(F)F ZINC000902981718 584708358 /nfs/dbraw/zinc/70/83/58/584708358.db2.gz CVBCZBWNCPLQGU-UWVGGRQHSA-N 1 0 249.320 3.743 20 0 BHADRO CC(F)(F)CCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903001223 584715829 /nfs/dbraw/zinc/71/58/29/584715829.db2.gz RDSFBCNMFHGPRY-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903001224 584715381 /nfs/dbraw/zinc/71/53/81/584715381.db2.gz RDSFBCNMFHGPRY-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC(F)(F)CCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903001225 584715651 /nfs/dbraw/zinc/71/56/51/584715651.db2.gz RDSFBCNMFHGPRY-ZSBIGDGJSA-N 1 0 231.330 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903007614 584717350 /nfs/dbraw/zinc/71/73/50/584717350.db2.gz DBHWAXAJVBIYGA-IJLUTSLNSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903007615 584717451 /nfs/dbraw/zinc/71/74/51/584717451.db2.gz DBHWAXAJVBIYGA-RNJOBUHISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903007616 584717362 /nfs/dbraw/zinc/71/73/62/584717362.db2.gz DBHWAXAJVBIYGA-SDDRHHMPSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903007617 584717517 /nfs/dbraw/zinc/71/75/17/584717517.db2.gz DBHWAXAJVBIYGA-YVECIDJPSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903017884 584713698 /nfs/dbraw/zinc/71/36/98/584713698.db2.gz ZMOFLDZHCWRYKT-CLLJXQQHSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903017885 584713922 /nfs/dbraw/zinc/71/39/22/584713922.db2.gz ZMOFLDZHCWRYKT-RYUDHWBXSA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC(CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903017886 584713632 /nfs/dbraw/zinc/71/36/32/584713632.db2.gz ZMOFLDZHCWRYKT-VXGBXAGGSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)CC(F)(F)F ZINC000903020071 584718166 /nfs/dbraw/zinc/71/81/66/584718166.db2.gz VHAKKLUQCAQSPL-DCAQKATOSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)CC(F)(F)F ZINC000903020072 584717901 /nfs/dbraw/zinc/71/79/01/584717901.db2.gz VHAKKLUQCAQSPL-HBNTYKKESA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)CC(F)(F)F ZINC000903020073 584717948 /nfs/dbraw/zinc/71/79/48/584717948.db2.gz VHAKKLUQCAQSPL-WISYIIOYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)CC(F)(F)F ZINC000903020074 584718010 /nfs/dbraw/zinc/71/80/10/584718010.db2.gz VHAKKLUQCAQSPL-YFKTTZPYSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@]1(CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1(F)F ZINC000903051206 584724091 /nfs/dbraw/zinc/72/40/91/584724091.db2.gz GDBJFOBVBLSRJX-GVXVVHGQSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1(F)F ZINC000903051207 584724212 /nfs/dbraw/zinc/72/42/12/584724212.db2.gz GDBJFOBVBLSRJX-RNJOBUHISA-N 1 0 243.341 3.590 20 0 BHADRO C[C@]1(CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1(F)F ZINC000903051208 584723944 /nfs/dbraw/zinc/72/39/44/584723944.db2.gz GDBJFOBVBLSRJX-WZRBSPASSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@]1(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1(F)F ZINC000903051209 584724136 /nfs/dbraw/zinc/72/41/36/584724136.db2.gz GDBJFOBVBLSRJX-YVECIDJPSA-N 1 0 243.341 3.590 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903081630 584725044 /nfs/dbraw/zinc/72/50/44/584725044.db2.gz PFLFPOFSMFWHTG-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903081634 584724842 /nfs/dbraw/zinc/72/48/42/584724842.db2.gz PFLFPOFSMFWHTG-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903081635 584725008 /nfs/dbraw/zinc/72/50/08/584725008.db2.gz PFLFPOFSMFWHTG-ZSBIGDGJSA-N 1 0 245.357 3.836 20 0 BHADRO CC1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC(F)(F)C1 ZINC000903086092 710890918 /nfs/dbraw/zinc/89/09/18/710890918.db2.gz CSQHXQWHHITPSH-GHMZBOCLSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC(F)(F)C1 ZINC000903086093 584725276 /nfs/dbraw/zinc/72/52/76/584725276.db2.gz CSQHXQWHHITPSH-QWRGUYRKSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC(F)(F)C1 ZINC000903086094 584725306 /nfs/dbraw/zinc/72/53/06/584725306.db2.gz CSQHXQWHHITPSH-ZSBIGDGJSA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)(C[NH2+]C1C[C@H]2CCC[C@@H]2C1)CC(F)F ZINC000903087120 584725207 /nfs/dbraw/zinc/72/52/07/584725207.db2.gz KFYOJHGUJIPKIG-GHMZBOCLSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+]C1C[C@@H]2CCC[C@H]2C1)CC(F)F ZINC000903087121 584725592 /nfs/dbraw/zinc/72/55/92/584725592.db2.gz KFYOJHGUJIPKIG-QWRGUYRKSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)CC(F)F ZINC000903087122 584725313 /nfs/dbraw/zinc/72/53/13/584725313.db2.gz KFYOJHGUJIPKIG-ZSBIGDGJSA-N 1 0 245.357 3.836 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccn1 ZINC000903087633 584725343 /nfs/dbraw/zinc/72/53/43/584725343.db2.gz FOGULLYUCQMTFQ-CTASWTNQSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccn1 ZINC000903087634 584725136 /nfs/dbraw/zinc/72/51/36/584725136.db2.gz FOGULLYUCQMTFQ-HLPPOEQASA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccn1 ZINC000903087635 584725259 /nfs/dbraw/zinc/72/52/59/584725259.db2.gz FOGULLYUCQMTFQ-HOSILWTGSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccn1 ZINC000903087636 584725403 /nfs/dbraw/zinc/72/54/03/584725403.db2.gz FOGULLYUCQMTFQ-ORIJERBGSA-N 1 0 244.382 3.701 20 0 BHADRO CCC1(C[NH2+][C@H](c2ccccn2)C2CC2)CCC1 ZINC000903111876 637342669 /nfs/dbraw/zinc/34/26/69/637342669.db2.gz XINPKXQUBXCZBA-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CCC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCC1 ZINC000903111879 637341882 /nfs/dbraw/zinc/34/18/82/637341882.db2.gz XINPKXQUBXCZBA-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C[NH2+][C@H](c2ccccn2)C2CC2)CCCC1 ZINC000903116462 710892739 /nfs/dbraw/zinc/89/27/39/710892739.db2.gz AJHLLQZTWIVYKA-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCCC1 ZINC000903116465 710892865 /nfs/dbraw/zinc/89/28/65/710892865.db2.gz AJHLLQZTWIVYKA-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903119421 710893868 /nfs/dbraw/zinc/89/38/68/710893868.db2.gz KPCPTMWMYAHFAP-NOLJZWGESA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903119424 710893545 /nfs/dbraw/zinc/89/35/45/710893545.db2.gz KPCPTMWMYAHFAP-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO CCCC1(C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903125023 637343861 /nfs/dbraw/zinc/34/38/61/637343861.db2.gz KBNNNOFXTMKXBY-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CCCC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903125025 637344694 /nfs/dbraw/zinc/34/46/94/637344694.db2.gz KBNNNOFXTMKXBY-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)C1(C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903126369 584729903 /nfs/dbraw/zinc/72/99/03/584729903.db2.gz RAYALVQWEHGSHA-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C1(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903126370 584729746 /nfs/dbraw/zinc/72/97/46/584729746.db2.gz RAYALVQWEHGSHA-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1c(C)noc1C ZINC000903129255 584730066 /nfs/dbraw/zinc/73/00/66/584730066.db2.gz GJTGBHIHTGGJSV-RFGFWPKPSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1c(C)noc1C ZINC000903129256 584730126 /nfs/dbraw/zinc/73/01/26/584730126.db2.gz GJTGBHIHTGGJSV-RQJABVFESA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1c(C)noc1C ZINC000903129257 584730067 /nfs/dbraw/zinc/73/00/67/584730067.db2.gz GJTGBHIHTGGJSV-XJFOESAGSA-N 1 0 248.370 3.521 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1c(C)noc1C ZINC000903129258 584730150 /nfs/dbraw/zinc/73/01/50/584730150.db2.gz GJTGBHIHTGGJSV-ZOBORPQBSA-N 1 0 248.370 3.521 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903152228 584732342 /nfs/dbraw/zinc/73/23/42/584732342.db2.gz ASDBYWLUFAAVTN-KXNHARMFSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903152229 584732249 /nfs/dbraw/zinc/73/22/49/584732249.db2.gz ASDBYWLUFAAVTN-NOOOWODRSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903152230 584732188 /nfs/dbraw/zinc/73/21/88/584732188.db2.gz ASDBYWLUFAAVTN-RHYQMDGZSA-N 1 0 249.320 3.742 20 0 BHADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903152231 584732345 /nfs/dbraw/zinc/73/23/45/584732345.db2.gz ASDBYWLUFAAVTN-WRWGMCAJSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)c1ccncc1 ZINC000903160908 584731339 /nfs/dbraw/zinc/73/13/39/584731339.db2.gz AXJLSKCNUVTTAZ-HRCADAONSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)c1ccncc1 ZINC000903160911 584731212 /nfs/dbraw/zinc/73/12/12/584731212.db2.gz AXJLSKCNUVTTAZ-PMPSAXMXSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000903161019 584731499 /nfs/dbraw/zinc/73/14/99/584731499.db2.gz CYJGPOPZKAHMPH-OWCLPIDISA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccncc1 ZINC000903161021 584731476 /nfs/dbraw/zinc/73/14/76/584731476.db2.gz CYJGPOPZKAHMPH-PMPSAXMXSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C(C)(C)C(F)F ZINC000903161203 584731388 /nfs/dbraw/zinc/73/13/88/584731388.db2.gz DIAFFZDJUAMHNO-JLLWLGSASA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C(C)(C)C(F)F ZINC000903161204 584731415 /nfs/dbraw/zinc/73/14/15/584731415.db2.gz DIAFFZDJUAMHNO-WCQGTBRESA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)C(C)(C)C(F)F ZINC000903161464 584731603 /nfs/dbraw/zinc/73/16/03/584731603.db2.gz KDPJCJPETQDPLE-COPLHBTASA-N 1 0 245.357 3.836 20 0 BHADRO C[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)C(C)(C)C(F)F ZINC000903161467 584731583 /nfs/dbraw/zinc/73/15/83/584731583.db2.gz KDPJCJPETQDPLE-WDMOLILDSA-N 1 0 245.357 3.836 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903161928 584731409 /nfs/dbraw/zinc/73/14/09/584731409.db2.gz YUZMYBQISSILPG-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903161929 584731544 /nfs/dbraw/zinc/73/15/44/584731544.db2.gz YUZMYBQISSILPG-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903162021 584731494 /nfs/dbraw/zinc/73/14/94/584731494.db2.gz TUEXXURGFRDQQG-JLLWLGSASA-N 1 0 249.320 3.743 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903162022 584731439 /nfs/dbraw/zinc/73/14/39/584731439.db2.gz TUEXXURGFRDQQG-WCQGTBRESA-N 1 0 249.320 3.743 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162387 584731571 /nfs/dbraw/zinc/73/15/71/584731571.db2.gz DWCHIQZJHNVYGH-LZWOXQAQSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162388 584731450 /nfs/dbraw/zinc/73/14/50/584731450.db2.gz DWCHIQZJHNVYGH-OFQRWUPVSA-N 1 0 244.382 3.621 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162397 584731510 /nfs/dbraw/zinc/73/15/10/584731510.db2.gz FAZBSQVUOCOPHN-GRYCIOLGSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162399 584731635 /nfs/dbraw/zinc/73/16/35/584731635.db2.gz FAZBSQVUOCOPHN-UTUOFQBUSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@@]23C[C@@H]2CCCC3)c1 ZINC000903162973 584731749 /nfs/dbraw/zinc/73/17/49/584731749.db2.gz VEIHAUBAHNVODH-CWRNSKLLSA-N 1 0 244.382 3.621 20 0 BHADRO Cc1cncc([C@H](C)[NH2+]C[C@]23C[C@H]2CCCC3)c1 ZINC000903162974 584731739 /nfs/dbraw/zinc/73/17/39/584731739.db2.gz VEIHAUBAHNVODH-IMJJTQAJSA-N 1 0 244.382 3.621 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)C(C)(C)C(F)F ZINC000903164694 584731750 /nfs/dbraw/zinc/73/17/50/584731750.db2.gz OVJJGFGQOSASNM-BJDJZHNGSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)C(C)(C)C(F)F ZINC000903164696 584731741 /nfs/dbraw/zinc/73/17/41/584731741.db2.gz OVJJGFGQOSASNM-NNYUYHANSA-N 1 0 245.357 3.692 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903164886 584731892 /nfs/dbraw/zinc/73/18/92/584731892.db2.gz DUURAGYLPASXCY-RHYQMDGZSA-N 1 0 249.320 3.743 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903164888 584731971 /nfs/dbraw/zinc/73/19/71/584731971.db2.gz DUURAGYLPASXCY-WRWGMCAJSA-N 1 0 249.320 3.743 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)c1ccncc1 ZINC000903165540 584732229 /nfs/dbraw/zinc/73/22/29/584732229.db2.gz WHNLXQUOWPNFOY-TUUVXOQKSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000903165842 584732064 /nfs/dbraw/zinc/73/20/64/584732064.db2.gz WHNLXQUOWPNFOY-XZDPQHSOSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903167210 637350988 /nfs/dbraw/zinc/35/09/88/637350988.db2.gz IEGWSPXZOAIVBK-INWMFGNUSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903167211 637351512 /nfs/dbraw/zinc/35/15/12/637351512.db2.gz IEGWSPXZOAIVBK-IVMMDQJWSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903167212 637352022 /nfs/dbraw/zinc/35/20/22/637352022.db2.gz IEGWSPXZOAIVBK-XNRPHZJLSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903167213 637351452 /nfs/dbraw/zinc/35/14/52/637351452.db2.gz IEGWSPXZOAIVBK-XPKDYRNWSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903168372 637350879 /nfs/dbraw/zinc/35/08/79/637350879.db2.gz VYZXSGDKTQMDOE-DVOMOZLQSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903168373 637351639 /nfs/dbraw/zinc/35/16/39/637351639.db2.gz VYZXSGDKTQMDOE-IOASZLSFSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903168374 637351782 /nfs/dbraw/zinc/35/17/82/637351782.db2.gz VYZXSGDKTQMDOE-WWGRRREGSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903168375 637350762 /nfs/dbraw/zinc/35/07/62/637350762.db2.gz VYZXSGDKTQMDOE-XJKCOSOUSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903185662 584733405 /nfs/dbraw/zinc/73/34/05/584733405.db2.gz KHZXXPPZPZZUIK-BMFZPTHFSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903185663 584733654 /nfs/dbraw/zinc/73/36/54/584733654.db2.gz KHZXXPPZPZZUIK-FVQBIDKESA-N 1 0 244.382 3.557 20 0 BHADRO CCC(CC)[NH2+]CCc1ccc2ncccc2c1 ZINC000903194764 584734358 /nfs/dbraw/zinc/73/43/58/584734358.db2.gz IJNMPEASNCUFSH-UHFFFAOYSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1ccc2ncccc2c1 ZINC000903195598 584734529 /nfs/dbraw/zinc/73/45/29/584734529.db2.gz WCGXQUPWKDHMQA-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1ccc2ncccc2c1 ZINC000903195599 584734408 /nfs/dbraw/zinc/73/44/08/584734408.db2.gz WCGXQUPWKDHMQA-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903200808 584735577 /nfs/dbraw/zinc/73/55/77/584735577.db2.gz VUBXLHQNNJEJGQ-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903200809 584735391 /nfs/dbraw/zinc/73/53/91/584735391.db2.gz VUBXLHQNNJEJGQ-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903200810 584735254 /nfs/dbraw/zinc/73/52/54/584735254.db2.gz VUBXLHQNNJEJGQ-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903200811 584735599 /nfs/dbraw/zinc/73/55/99/584735599.db2.gz VUBXLHQNNJEJGQ-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO c1ccc([C@@H]([NH2+]CCCCC2CC2)C2CC2)nc1 ZINC000903211666 584736972 /nfs/dbraw/zinc/73/69/72/584736972.db2.gz DBKBKVPVHZEIEP-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CCCCC2CC2)C2CC2)nc1 ZINC000903211667 584736908 /nfs/dbraw/zinc/73/69/08/584736908.db2.gz DBKBKVPVHZEIEP-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC[C@H]([NH2+]CC(C)(C)C1CC1)c1ccncc1 ZINC000903239738 584737947 /nfs/dbraw/zinc/73/79/47/584737947.db2.gz KEOGPZULPCQZIP-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC[C@@H]([NH2+]CC(C)(C)C1CC1)c1ccncc1 ZINC000903239739 584738036 /nfs/dbraw/zinc/73/80/36/584738036.db2.gz KEOGPZULPCQZIP-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C[NH2+][C@H](c1ccccn1)C1CC1)C1CC1 ZINC000903240269 584738163 /nfs/dbraw/zinc/73/81/63/584738163.db2.gz PWELPUGYTSMYJO-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)(C[NH2+][C@@H](c1ccccn1)C1CC1)C1CC1 ZINC000903240270 584738153 /nfs/dbraw/zinc/73/81/53/584738153.db2.gz PWELPUGYTSMYJO-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CC1)C(C)(C)C(F)F ZINC000903240290 584738327 /nfs/dbraw/zinc/73/83/27/584738327.db2.gz QKZBIWOWMRGMNR-SECBINFHSA-N 1 0 233.346 3.692 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CC1)C(C)(C)C(F)F ZINC000903240291 584737966 /nfs/dbraw/zinc/73/79/66/584737966.db2.gz QKZBIWOWMRGMNR-VIFPVBQESA-N 1 0 233.346 3.692 20 0 BHADRO Cc1ncc([C@@H](C)[NH2+]CC(C)(C)C2CC2)s1 ZINC000903243543 584738205 /nfs/dbraw/zinc/73/82/05/584738205.db2.gz FPKONBABCXVQMI-SECBINFHSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1ncc([C@H](C)[NH2+]CC(C)(C)C2CC2)s1 ZINC000903243544 584737955 /nfs/dbraw/zinc/73/79/55/584737955.db2.gz FPKONBABCXVQMI-VIFPVBQESA-N 1 0 238.400 3.538 20 0 BHADRO CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)C2CC2)cn1 ZINC000903243849 584738559 /nfs/dbraw/zinc/73/85/59/584738559.db2.gz JQRJIYOLHUDJAW-GFCCVEGCSA-N 1 0 249.402 3.551 20 0 BHADRO CC(C)n1cc([C@H](C)[NH2+]CC(C)(C)C2CC2)cn1 ZINC000903243850 584738661 /nfs/dbraw/zinc/73/86/61/584738661.db2.gz JQRJIYOLHUDJAW-LBPRGKRZSA-N 1 0 249.402 3.551 20 0 BHADRO Cc1nc([C@@H](C)[NH2+]CC(C)(C)C2CC2)cs1 ZINC000903244147 584738446 /nfs/dbraw/zinc/73/84/46/584738446.db2.gz NATGTONHBFBWMD-SECBINFHSA-N 1 0 238.400 3.538 20 0 BHADRO Cc1nc([C@H](C)[NH2+]CC(C)(C)C2CC2)cs1 ZINC000903244148 584738579 /nfs/dbraw/zinc/73/85/79/584738579.db2.gz NATGTONHBFBWMD-VIFPVBQESA-N 1 0 238.400 3.538 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccnc1 ZINC000903252896 584739208 /nfs/dbraw/zinc/73/92/08/584739208.db2.gz FPEQFPRRNTUZLH-NZBFACKJSA-N 1 0 244.382 3.557 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccnc1 ZINC000903252898 584739155 /nfs/dbraw/zinc/73/91/55/584739155.db2.gz FPEQFPRRNTUZLH-YMILTQATSA-N 1 0 244.382 3.557 20 0 BHADRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903253019 584738984 /nfs/dbraw/zinc/73/89/84/584738984.db2.gz HWKBNENVHOLGFU-CNRIWFPOSA-N 1 0 244.382 3.557 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903253020 584738971 /nfs/dbraw/zinc/73/89/71/584738971.db2.gz HWKBNENVHOLGFU-XYTFPVCRSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253270 584739271 /nfs/dbraw/zinc/73/92/71/584739271.db2.gz IWRMJSFCTAOVRU-CSYMLDBXSA-N 1 0 249.320 3.742 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253272 584739206 /nfs/dbraw/zinc/73/92/06/584739206.db2.gz IWRMJSFCTAOVRU-PZWNZHSQSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253356 584739145 /nfs/dbraw/zinc/73/91/45/584739145.db2.gz JMCSOTHPMMBEDQ-CSYMLDBXSA-N 1 0 249.320 3.742 20 0 BHADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253357 584739304 /nfs/dbraw/zinc/73/93/04/584739304.db2.gz JMCSOTHPMMBEDQ-PZWNZHSQSA-N 1 0 249.320 3.742 20 0 BHADRO c1cc(N[C@@H]2CCCSCC2)nc(C2CC2)c1 ZINC000903267390 584741889 /nfs/dbraw/zinc/74/18/89/584741889.db2.gz KNHJMBSFODTXRC-GFCCVEGCSA-N 1 0 248.395 3.657 20 0 BHADRO c1cc(N[C@H]2CCCSCC2)nc(C2CC2)c1 ZINC000903267391 584741574 /nfs/dbraw/zinc/74/15/74/584741574.db2.gz KNHJMBSFODTXRC-LBPRGKRZSA-N 1 0 248.395 3.657 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1ccns1 ZINC000903267397 584741631 /nfs/dbraw/zinc/74/16/31/584741631.db2.gz KSEFWXXUXZOYDE-SECBINFHSA-N 1 0 245.351 3.589 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1ccns1 ZINC000903267398 584741500 /nfs/dbraw/zinc/74/15/00/584741500.db2.gz KSEFWXXUXZOYDE-VIFPVBQESA-N 1 0 245.351 3.589 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1cscn1 ZINC000903267568 584741836 /nfs/dbraw/zinc/74/18/36/584741836.db2.gz DBHGJDXIBPZLJD-SECBINFHSA-N 1 0 245.351 3.589 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1cscn1 ZINC000903267569 584741764 /nfs/dbraw/zinc/74/17/64/584741764.db2.gz DBHGJDXIBPZLJD-VIFPVBQESA-N 1 0 245.351 3.589 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1ccccn1 ZINC000903267570 584741827 /nfs/dbraw/zinc/74/18/27/584741827.db2.gz DBJJOFFYFWYURE-LLVKDONJSA-N 1 0 239.322 3.527 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1ccccn1 ZINC000903267571 584741725 /nfs/dbraw/zinc/74/17/25/584741725.db2.gz DBJJOFFYFWYURE-NSHDSACASA-N 1 0 239.322 3.527 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1ccco1 ZINC000903268234 584741754 /nfs/dbraw/zinc/74/17/54/584741754.db2.gz IHXFINHACOSOFN-JTQLQIEISA-N 1 0 228.295 3.725 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1ccco1 ZINC000903268235 584741658 /nfs/dbraw/zinc/74/16/58/584741658.db2.gz IHXFINHACOSOFN-SNVBAGLBSA-N 1 0 228.295 3.725 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1cccnc1 ZINC000903268254 584741917 /nfs/dbraw/zinc/74/19/17/584741917.db2.gz IVFCPYPDIYLKQA-LLVKDONJSA-N 1 0 239.322 3.527 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1cccnc1 ZINC000903268255 584741902 /nfs/dbraw/zinc/74/19/02/584741902.db2.gz IVFCPYPDIYLKQA-NSHDSACASA-N 1 0 239.322 3.527 20 0 BHADRO C[C@@H](Nc1cccc(C2CC2)n1)c1nccs1 ZINC000903269020 584741777 /nfs/dbraw/zinc/74/17/77/584741777.db2.gz PPWUHZFCWFFOGC-SECBINFHSA-N 1 0 245.351 3.589 20 0 BHADRO C[C@H](Nc1cccc(C2CC2)n1)c1nccs1 ZINC000903269021 584741287 /nfs/dbraw/zinc/74/12/87/584741287.db2.gz PPWUHZFCWFFOGC-VIFPVBQESA-N 1 0 245.351 3.589 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000903278942 584742621 /nfs/dbraw/zinc/74/26/21/584742621.db2.gz ITWSYLZBPMTELW-DZGCQCFKSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000903278943 584742463 /nfs/dbraw/zinc/74/24/63/584742463.db2.gz ITWSYLZBPMTELW-HIFRSBDPSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000903278944 584742641 /nfs/dbraw/zinc/74/26/41/584742641.db2.gz ITWSYLZBPMTELW-UKRRQHHQSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000903278945 584742415 /nfs/dbraw/zinc/74/24/15/584742415.db2.gz ITWSYLZBPMTELW-ZFWWWQNUSA-N 1 0 244.382 3.763 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)C(C)(C)C(F)F ZINC000903279290 584742594 /nfs/dbraw/zinc/74/25/94/584742594.db2.gz LXJLBIOVZDLKAR-GHMZBOCLSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)C(C)(C)C(F)F ZINC000903279291 584742647 /nfs/dbraw/zinc/74/26/47/584742647.db2.gz LXJLBIOVZDLKAR-MNOVXSKESA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)C(C)(C)C(F)F ZINC000903279292 584742407 /nfs/dbraw/zinc/74/24/07/584742407.db2.gz LXJLBIOVZDLKAR-QWRGUYRKSA-N 1 0 245.357 3.979 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)C(C)(C)C(F)F ZINC000903279293 584742404 /nfs/dbraw/zinc/74/24/04/584742404.db2.gz LXJLBIOVZDLKAR-WDEREUQCSA-N 1 0 245.357 3.979 20 0 BHADRO CC(C)[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CC1 ZINC000903282124 584742967 /nfs/dbraw/zinc/74/29/67/584742967.db2.gz AHPJXTHUHWGTDO-CHWSQXEVSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CC1 ZINC000903282125 584742760 /nfs/dbraw/zinc/74/27/60/584742760.db2.gz AHPJXTHUHWGTDO-OLZOCXBDSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CC1 ZINC000903282126 584742793 /nfs/dbraw/zinc/74/27/93/584742793.db2.gz AHPJXTHUHWGTDO-QWHCGFSZSA-N 1 0 241.444 3.685 20 0 BHADRO CC(C)[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CC1 ZINC000903282127 584742894 /nfs/dbraw/zinc/74/28/94/584742894.db2.gz AHPJXTHUHWGTDO-STQMWFEESA-N 1 0 241.444 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccoc1 ZINC000903283284 584740572 /nfs/dbraw/zinc/74/05/72/584740572.db2.gz JUIITKJEZUKFFD-CMPLNLGQSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccoc1 ZINC000903283285 584740586 /nfs/dbraw/zinc/74/05/86/584740586.db2.gz JUIITKJEZUKFFD-JQWIXIFHSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccoc1 ZINC000903283286 584740662 /nfs/dbraw/zinc/74/06/62/584740662.db2.gz JUIITKJEZUKFFD-PWSUYJOCSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccoc1 ZINC000903283287 584741181 /nfs/dbraw/zinc/74/11/81/584741181.db2.gz JUIITKJEZUKFFD-ZYHUDNBSSA-N 1 0 239.384 3.604 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C(C)(C)C ZINC000903285244 584741227 /nfs/dbraw/zinc/74/12/27/584741227.db2.gz XVJUVESVAUVTLQ-GHMZBOCLSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C(C)(C)C ZINC000903285246 584740939 /nfs/dbraw/zinc/74/09/39/584740939.db2.gz XVJUVESVAUVTLQ-MNOVXSKESA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C(C)(C)C ZINC000903285247 584741139 /nfs/dbraw/zinc/74/11/39/584741139.db2.gz XVJUVESVAUVTLQ-QWRGUYRKSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C(C)(C)C ZINC000903285248 584741049 /nfs/dbraw/zinc/74/10/49/584741049.db2.gz XVJUVESVAUVTLQ-WDEREUQCSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000903298086 584743250 /nfs/dbraw/zinc/74/32/50/584743250.db2.gz UDPWVPZVYDOOLD-CKYFFXLPSA-N 1 0 239.309 3.599 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000903298087 584743160 /nfs/dbraw/zinc/74/31/60/584743160.db2.gz UDPWVPZVYDOOLD-NHCYSSNCSA-N 1 0 239.309 3.599 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2ccoc2)CC1 ZINC000903308648 584747770 /nfs/dbraw/zinc/74/77/70/584747770.db2.gz APXSUYANJSXDRL-LLVKDONJSA-N 1 0 207.317 3.653 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000903308649 584747908 /nfs/dbraw/zinc/74/79/08/584747908.db2.gz APXSUYANJSXDRL-NSHDSACASA-N 1 0 207.317 3.653 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000903308710 584747884 /nfs/dbraw/zinc/74/78/84/584747884.db2.gz BIJDAWPSMZGTRP-CYBMUJFWSA-N 1 0 232.371 3.763 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000903308711 584747632 /nfs/dbraw/zinc/74/76/32/584747632.db2.gz BIJDAWPSMZGTRP-ZDUSSCGKSA-N 1 0 232.371 3.763 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2nccs2)CC1 ZINC000903308734 584747804 /nfs/dbraw/zinc/74/78/04/584747804.db2.gz BMSFQQVQXAPYOK-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2nccs2)CC1 ZINC000903309030 584747708 /nfs/dbraw/zinc/74/77/08/584747708.db2.gz BMSFQQVQXAPYOK-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cscn2)CC1 ZINC000903310481 584748166 /nfs/dbraw/zinc/74/81/66/584748166.db2.gz JSDSLTALVFSZQT-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cscn2)CC1 ZINC000903310482 584748179 /nfs/dbraw/zinc/74/81/79/584748179.db2.gz JSDSLTALVFSZQT-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000903310515 584748283 /nfs/dbraw/zinc/74/82/83/584748283.db2.gz KEFXXNRQDMMALW-AWEZNQCLSA-N 1 0 244.382 3.771 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000903310516 584748185 /nfs/dbraw/zinc/74/81/85/584748185.db2.gz KEFXXNRQDMMALW-CQSZACIVSA-N 1 0 244.382 3.771 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000903310728 584748309 /nfs/dbraw/zinc/74/83/09/584748309.db2.gz KRXCEBHRIHQWFG-CYBMUJFWSA-N 1 0 249.402 3.837 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000903310732 584748223 /nfs/dbraw/zinc/74/82/23/584748223.db2.gz KRXCEBHRIHQWFG-ZDUSSCGKSA-N 1 0 249.402 3.837 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cncs2)CC1 ZINC000903310745 584748149 /nfs/dbraw/zinc/74/81/49/584748149.db2.gz LBZQARFYDSMBOE-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cncs2)CC1 ZINC000903310747 584748017 /nfs/dbraw/zinc/74/80/17/584748017.db2.gz LBZQARFYDSMBOE-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2ccco2)CC1 ZINC000903310748 584748318 /nfs/dbraw/zinc/74/83/18/584748318.db2.gz LCMBOCMHNUMSPI-LLVKDONJSA-N 1 0 207.317 3.653 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2ccco2)CC1 ZINC000903310750 584748156 /nfs/dbraw/zinc/74/81/56/584748156.db2.gz LCMBOCMHNUMSPI-NSHDSACASA-N 1 0 207.317 3.653 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000903311049 584748238 /nfs/dbraw/zinc/74/82/38/584748238.db2.gz MJRVIJHCZDWESY-CYBMUJFWSA-N 1 0 247.382 3.552 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000903311050 584747990 /nfs/dbraw/zinc/74/79/90/584747990.db2.gz MJRVIJHCZDWESY-ZDUSSCGKSA-N 1 0 247.382 3.552 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000903311063 584748015 /nfs/dbraw/zinc/74/80/15/584748015.db2.gz MMKFKVULSHEHPL-CYBMUJFWSA-N 1 0 232.371 3.763 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000903311064 584748210 /nfs/dbraw/zinc/74/82/10/584748210.db2.gz MMKFKVULSHEHPL-ZDUSSCGKSA-N 1 0 232.371 3.763 20 0 BHADRO CCCCC1([NH2+][C@H](C)CC2CCOCC2)CC1 ZINC000903311089 584748040 /nfs/dbraw/zinc/74/80/40/584748040.db2.gz MZMFGNDCYNMMJN-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H](C)CC2CCOCC2)CC1 ZINC000903311090 584748241 /nfs/dbraw/zinc/74/82/41/584748241.db2.gz MZMFGNDCYNMMJN-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000903311329 584748200 /nfs/dbraw/zinc/74/82/00/584748200.db2.gz NXQNEFUNDNFLGU-JTQLQIEISA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000903311330 584748031 /nfs/dbraw/zinc/74/80/31/584748031.db2.gz NXQNEFUNDNFLGU-SNVBAGLBSA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@@H](CC)C2CCOCC2)CC1 ZINC000903311391 584748340 /nfs/dbraw/zinc/74/83/40/584748340.db2.gz PBMBRGNTYDZGSJ-AWEZNQCLSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000903311392 584747977 /nfs/dbraw/zinc/74/79/77/584747977.db2.gz PBMBRGNTYDZGSJ-CQSZACIVSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000903311594 584748130 /nfs/dbraw/zinc/74/81/30/584748130.db2.gz QMSQMCTUDPVGDV-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000903311596 584748177 /nfs/dbraw/zinc/74/81/77/584748177.db2.gz QMSQMCTUDPVGDV-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000903311598 584747971 /nfs/dbraw/zinc/74/79/71/584747971.db2.gz QMSQMCTUDPVGDV-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000903311599 584748213 /nfs/dbraw/zinc/74/82/13/584748213.db2.gz QMSQMCTUDPVGDV-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000903312417 584748146 /nfs/dbraw/zinc/74/81/46/584748146.db2.gz VVNNWYNOYVSBGB-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000903312487 584748228 /nfs/dbraw/zinc/74/82/28/584748228.db2.gz VVNNWYNOYVSBGB-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000903312809 584748636 /nfs/dbraw/zinc/74/86/36/584748636.db2.gz CBFSBGWYGPRGSA-AWEZNQCLSA-N 1 0 246.398 3.715 20 0 BHADRO CCCCC1([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000903312810 584748658 /nfs/dbraw/zinc/74/86/58/584748658.db2.gz CBFSBGWYGPRGSA-CQSZACIVSA-N 1 0 246.398 3.715 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000903312837 584748619 /nfs/dbraw/zinc/74/86/19/584748619.db2.gz ZEYTZNGMPWQPLL-JTQLQIEISA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000903312838 584748528 /nfs/dbraw/zinc/74/85/28/584748528.db2.gz ZEYTZNGMPWQPLL-SNVBAGLBSA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@H]2CCC[C@H](OC)CC2)CC1 ZINC000903313015 584748679 /nfs/dbraw/zinc/74/86/79/584748679.db2.gz FRBJKVZGBCNKAS-KBPBESRZSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCC[C@H](OC)CC2)CC1 ZINC000903313016 584748762 /nfs/dbraw/zinc/74/87/62/584748762.db2.gz FRBJKVZGBCNKAS-KGLIPLIRSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC1([NH2+][C@H]2CCC[C@@H](OC)CC2)CC1 ZINC000903313017 584748589 /nfs/dbraw/zinc/74/85/89/584748589.db2.gz FRBJKVZGBCNKAS-UONOGXRCSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCC[C@@H](OC)CC2)CC1 ZINC000903313018 584748408 /nfs/dbraw/zinc/74/84/08/584748408.db2.gz FRBJKVZGBCNKAS-ZIAGYGMSSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCCSCC2)CC1 ZINC000903313150 584748736 /nfs/dbraw/zinc/74/87/36/584748736.db2.gz JENYXMVGEMIJPP-GFCCVEGCSA-N 1 0 227.417 3.585 20 0 BHADRO CCCCC1([NH2+][C@H]2CCCSCC2)CC1 ZINC000903313151 584748567 /nfs/dbraw/zinc/74/85/67/584748567.db2.gz JENYXMVGEMIJPP-LBPRGKRZSA-N 1 0 227.417 3.585 20 0 BHADRO CCCCC1([NH2+]C2CCC(OCC)CC2)CC1 ZINC000903313339 584748532 /nfs/dbraw/zinc/74/85/32/584748532.db2.gz NUHZHBFWFGOZMD-UHFFFAOYSA-N 1 0 239.403 3.647 20 0 BHADRO CCCCC1([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000903313346 584748561 /nfs/dbraw/zinc/74/85/61/584748561.db2.gz NYDYIFONMYHLBX-UHFFFAOYSA-N 1 0 231.330 3.877 20 0 BHADRO CCCCC1([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000903313353 584748479 /nfs/dbraw/zinc/74/84/79/584748479.db2.gz OBHAWASACPTFNM-AWEZNQCLSA-N 1 0 232.371 3.845 20 0 BHADRO CCCCC1([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000903313354 584748771 /nfs/dbraw/zinc/74/87/71/584748771.db2.gz OBHAWASACPTFNM-CQSZACIVSA-N 1 0 232.371 3.845 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2ccns2)CC1 ZINC000903313371 584748611 /nfs/dbraw/zinc/74/86/11/584748611.db2.gz OIEYHNWJBWLXJZ-JTQLQIEISA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2ccns2)CC1 ZINC000903313372 584748682 /nfs/dbraw/zinc/74/86/82/584748682.db2.gz OIEYHNWJBWLXJZ-SNVBAGLBSA-N 1 0 224.373 3.517 20 0 BHADRO CCCCC1([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000903313395 584748523 /nfs/dbraw/zinc/74/85/23/584748523.db2.gz OZLJJFUPIWKGNN-JTQLQIEISA-N 1 0 231.330 3.733 20 0 BHADRO CCCCC1([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000903313396 584748685 /nfs/dbraw/zinc/74/86/85/584748685.db2.gz OZLJJFUPIWKGNN-SNVBAGLBSA-N 1 0 231.330 3.733 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000903313400 584748615 /nfs/dbraw/zinc/74/86/15/584748615.db2.gz PCKUTNSBLUNHOY-LLVKDONJSA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000903313401 584748786 /nfs/dbraw/zinc/74/87/86/584748786.db2.gz PCKUTNSBLUNHOY-NSHDSACASA-N 1 0 238.400 3.825 20 0 BHADRO CCCCC1([NH2+][C@@H](CC)[C@H]2CCCOC2)CC1 ZINC000903313454 584748472 /nfs/dbraw/zinc/74/84/72/584748472.db2.gz QISPHXWHFNQXBA-KBPBESRZSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H](CC)[C@@H]2CCCOC2)CC1 ZINC000903313455 584748734 /nfs/dbraw/zinc/74/87/34/584748734.db2.gz QISPHXWHFNQXBA-KGLIPLIRSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H](CC)[C@H]2CCCOC2)CC1 ZINC000903313456 584748427 /nfs/dbraw/zinc/74/84/27/584748427.db2.gz QISPHXWHFNQXBA-UONOGXRCSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@H](CC)[C@@H]2CCCOC2)CC1 ZINC000903313457 584748604 /nfs/dbraw/zinc/74/86/04/584748604.db2.gz QISPHXWHFNQXBA-ZIAGYGMSSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+][C@@H]2CCCc3oc(C)nc32)CC1 ZINC000903313488 584748512 /nfs/dbraw/zinc/74/85/12/584748512.db2.gz RLFNNJWXHMYPMJ-GFCCVEGCSA-N 1 0 248.370 3.673 20 0 BHADRO CCCCC1([NH2+][C@H]2CCCc3oc(C)nc32)CC1 ZINC000903313489 584748519 /nfs/dbraw/zinc/74/85/19/584748519.db2.gz RLFNNJWXHMYPMJ-LBPRGKRZSA-N 1 0 248.370 3.673 20 0 BHADRO CCCCC1([NH2+]C2CCC(COC)CC2)CC1 ZINC000903313559 584748546 /nfs/dbraw/zinc/74/85/46/584748546.db2.gz SZOLXFLGMHYIKO-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CCCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000903313604 584748430 /nfs/dbraw/zinc/74/84/30/584748430.db2.gz UOHXQDYEUSUNOQ-YHWZYXNKSA-N 1 0 239.428 3.725 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000903315049 584748917 /nfs/dbraw/zinc/74/89/17/584748917.db2.gz DKIWTDNGFOQFHA-JULQROHOSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccsc1 ZINC000903315050 584749025 /nfs/dbraw/zinc/74/90/25/584749025.db2.gz DKIWTDNGFOQFHA-XKAARJIMSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccsc1 ZINC000903315052 584748979 /nfs/dbraw/zinc/74/89/79/584748979.db2.gz DKIWTDNGFOQFHA-XRRVDJEJSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccsc1 ZINC000903315053 584749319 /nfs/dbraw/zinc/74/93/19/584749319.db2.gz DKIWTDNGFOQFHA-YRRQLQLVSA-N 1 0 221.369 3.587 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903315347 584748911 /nfs/dbraw/zinc/74/89/11/584748911.db2.gz FDMVRQBJXLLMIK-DDHJBXDOSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903315348 584749098 /nfs/dbraw/zinc/74/90/98/584749098.db2.gz FDMVRQBJXLLMIK-IRCOFANPSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903315349 584749224 /nfs/dbraw/zinc/74/92/24/584749224.db2.gz FDMVRQBJXLLMIK-WHOHXGKFSA-N 1 0 249.320 3.886 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903315350 584748967 /nfs/dbraw/zinc/74/89/67/584748967.db2.gz FDMVRQBJXLLMIK-WISYIIOYSA-N 1 0 249.320 3.886 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccs1 ZINC000903315685 584749067 /nfs/dbraw/zinc/74/90/67/584749067.db2.gz GJOSNRBHMBBXMK-FIQHERPVSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccs1 ZINC000903315686 584748918 /nfs/dbraw/zinc/74/89/18/584748918.db2.gz GJOSNRBHMBBXMK-IRCOFANPSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccs1 ZINC000903315688 584749126 /nfs/dbraw/zinc/74/91/26/584749126.db2.gz GJOSNRBHMBBXMK-NNYUYHANSA-N 1 0 221.369 3.587 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccs1 ZINC000903315690 584749263 /nfs/dbraw/zinc/74/92/63/584749263.db2.gz GJOSNRBHMBBXMK-WHOHXGKFSA-N 1 0 221.369 3.587 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccccn1 ZINC000903316102 584749482 /nfs/dbraw/zinc/74/94/82/584749482.db2.gz HREJBCVXNKQYKR-BFJAYTPKSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccn1 ZINC000903316104 584749388 /nfs/dbraw/zinc/74/93/88/584749388.db2.gz HREJBCVXNKQYKR-DARAHFNDSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccn1 ZINC000903316106 584749514 /nfs/dbraw/zinc/74/95/14/584749514.db2.gz HREJBCVXNKQYKR-LQKXBSAESA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccccn1 ZINC000903316108 584749709 /nfs/dbraw/zinc/74/97/09/584749709.db2.gz HREJBCVXNKQYKR-LUYZLQTOSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccnc1 ZINC000903316868 584749949 /nfs/dbraw/zinc/74/99/49/584749949.db2.gz KJMPTMFFVMFSKQ-DMRZNYOFSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccnc1 ZINC000903316869 584749909 /nfs/dbraw/zinc/74/99/09/584749909.db2.gz KJMPTMFFVMFSKQ-DRPJVOAASA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccnc1 ZINC000903316870 584750296 /nfs/dbraw/zinc/75/02/96/584750296.db2.gz KJMPTMFFVMFSKQ-QCEMKRCNSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccnc1 ZINC000903316871 584749974 /nfs/dbraw/zinc/74/99/74/584749974.db2.gz KJMPTMFFVMFSKQ-SYAUCNOPSA-N 1 0 244.382 3.701 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccccn1 ZINC000903318225 584750732 /nfs/dbraw/zinc/75/07/32/584750732.db2.gz PDQGNOMZILGIDZ-CLWVCHIJSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccn1 ZINC000903318226 584750708 /nfs/dbraw/zinc/75/07/08/584750708.db2.gz PDQGNOMZILGIDZ-UGQVUOCMSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccn1 ZINC000903318227 584750457 /nfs/dbraw/zinc/75/04/57/584750457.db2.gz PDQGNOMZILGIDZ-XNISGKROSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccccn1 ZINC000903318228 584750551 /nfs/dbraw/zinc/75/05/51/584750551.db2.gz PDQGNOMZILGIDZ-XOUADPBQSA-N 1 0 244.382 3.557 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c(C)n1 ZINC000903319224 584746202 /nfs/dbraw/zinc/74/62/02/584746202.db2.gz UGBYNEAONJBXSN-DARAHFNDSA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c(C)n1 ZINC000903319225 584746261 /nfs/dbraw/zinc/74/62/61/584746261.db2.gz UGBYNEAONJBXSN-LQKXBSAESA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c(C)n1 ZINC000903319226 584746241 /nfs/dbraw/zinc/74/62/41/584746241.db2.gz UGBYNEAONJBXSN-SJXGUFTOSA-N 1 0 244.382 3.538 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c(C)n1 ZINC000903319227 584746023 /nfs/dbraw/zinc/74/60/23/584746023.db2.gz UGBYNEAONJBXSN-WMHQRMGPSA-N 1 0 244.382 3.538 20 0 BHADRO CC[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000903328553 584753360 /nfs/dbraw/zinc/75/33/60/584753360.db2.gz LZZPDLANNDMYLQ-GXTWGEPZSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000903328554 584753674 /nfs/dbraw/zinc/75/36/74/584753674.db2.gz LZZPDLANNDMYLQ-JSGCOSHPSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000903328555 584753414 /nfs/dbraw/zinc/75/34/14/584753414.db2.gz LZZPDLANNDMYLQ-OCCSQVGLSA-N 1 0 234.387 3.865 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000903328556 584753448 /nfs/dbraw/zinc/75/34/48/584753448.db2.gz LZZPDLANNDMYLQ-TZMCWYRMSA-N 1 0 234.387 3.865 20 0 BHADRO FC1(F)CC[C@@H](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000903333302 584754837 /nfs/dbraw/zinc/75/48/37/584754837.db2.gz NPFMZOKRFMRUNQ-JTQLQIEISA-N 1 0 243.341 3.590 20 0 BHADRO FC1(F)CC[C@H](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000903333303 584754987 /nfs/dbraw/zinc/75/49/87/584754987.db2.gz NPFMZOKRFMRUNQ-SNVBAGLBSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccoc1 ZINC000903333841 584751039 /nfs/dbraw/zinc/75/10/39/584751039.db2.gz UNZCYWWXYLRJBA-GHMZBOCLSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccoc1 ZINC000903333842 584750915 /nfs/dbraw/zinc/75/09/15/584750915.db2.gz UNZCYWWXYLRJBA-MNOVXSKESA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccoc1 ZINC000903333843 584750941 /nfs/dbraw/zinc/75/09/41/584750941.db2.gz UNZCYWWXYLRJBA-QWRGUYRKSA-N 1 0 243.297 3.756 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccoc1 ZINC000903333844 584750773 /nfs/dbraw/zinc/75/07/73/584750773.db2.gz UNZCYWWXYLRJBA-WDEREUQCSA-N 1 0 243.297 3.756 20 0 BHADRO CC(C)C1CC([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903335208 584751386 /nfs/dbraw/zinc/75/13/86/584751386.db2.gz MIEYHTZPRLYNHW-XUJLQICISA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)C1CC([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903335209 584751604 /nfs/dbraw/zinc/75/16/04/584751604.db2.gz MIEYHTZPRLYNHW-ZBCRRDGASA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335342 584751328 /nfs/dbraw/zinc/75/13/28/584751328.db2.gz OCFRWZGSIOLUCQ-DZKIICNBSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335343 584751219 /nfs/dbraw/zinc/75/12/19/584751219.db2.gz OCFRWZGSIOLUCQ-LZWOXQAQSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335344 584751368 /nfs/dbraw/zinc/75/13/68/584751368.db2.gz OCFRWZGSIOLUCQ-OFQRWUPVSA-N 1 0 244.382 3.557 20 0 BHADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335345 584751439 /nfs/dbraw/zinc/75/14/39/584751439.db2.gz OCFRWZGSIOLUCQ-SQWLQELKSA-N 1 0 244.382 3.557 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335449 584751613 /nfs/dbraw/zinc/75/16/13/584751613.db2.gz PPDWOSITBNGVAV-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CCC1CC1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335450 584751268 /nfs/dbraw/zinc/75/12/68/584751268.db2.gz PPDWOSITBNGVAV-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335451 584751577 /nfs/dbraw/zinc/75/15/77/584751577.db2.gz PPDWOSITBNGVAV-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CCC1CC1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335452 584751592 /nfs/dbraw/zinc/75/15/92/584751592.db2.gz PPDWOSITBNGVAV-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335940 584751472 /nfs/dbraw/zinc/75/14/72/584751472.db2.gz VAOPNESORVYLKQ-DZGCQCFKSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335941 584751305 /nfs/dbraw/zinc/75/13/05/584751305.db2.gz VAOPNESORVYLKQ-HIFRSBDPSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335942 584751459 /nfs/dbraw/zinc/75/14/59/584751459.db2.gz VAOPNESORVYLKQ-UKRRQHHQSA-N 1 0 232.371 3.701 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335943 584751420 /nfs/dbraw/zinc/75/14/20/584751420.db2.gz VAOPNESORVYLKQ-ZFWWWQNUSA-N 1 0 232.371 3.701 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903336070 584751450 /nfs/dbraw/zinc/75/14/50/584751450.db2.gz VQEJUJQQVYKYHR-DOMZBBRYSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903336071 584751307 /nfs/dbraw/zinc/75/13/07/584751307.db2.gz VQEJUJQQVYKYHR-IUODEOHRSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903336072 584751249 /nfs/dbraw/zinc/75/12/49/584751249.db2.gz VQEJUJQQVYKYHR-SWLSCSKDSA-N 1 0 246.398 3.947 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903336073 584751572 /nfs/dbraw/zinc/75/15/72/584751572.db2.gz VQEJUJQQVYKYHR-WFASDCNBSA-N 1 0 246.398 3.947 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903336115 584751431 /nfs/dbraw/zinc/75/14/31/584751431.db2.gz WINNJJNDIFCSQL-DZGCQCFKSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903336116 584751385 /nfs/dbraw/zinc/75/13/85/584751385.db2.gz WINNJJNDIFCSQL-HIFRSBDPSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903336117 584751523 /nfs/dbraw/zinc/75/15/23/584751523.db2.gz WINNJJNDIFCSQL-UKRRQHHQSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903336118 584751396 /nfs/dbraw/zinc/75/13/96/584751396.db2.gz WINNJJNDIFCSQL-ZFWWWQNUSA-N 1 0 244.382 3.701 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@@H]1C[C@@H]1C ZINC000903336129 584751598 /nfs/dbraw/zinc/75/15/98/584751598.db2.gz WLQFAYVEFYPDJU-AEIGPULVSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@H]1C[C@H]1C ZINC000903336130 584751411 /nfs/dbraw/zinc/75/14/11/584751411.db2.gz WLQFAYVEFYPDJU-DSRCVFDASA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@H]1C[C@@H]1C ZINC000903336131 584751509 /nfs/dbraw/zinc/75/15/09/584751509.db2.gz WLQFAYVEFYPDJU-PCBIJLKTSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@@H]1C[C@H]1C ZINC000903336132 584751383 /nfs/dbraw/zinc/75/13/83/584751383.db2.gz WLQFAYVEFYPDJU-UYHMYPTGSA-N 1 0 244.382 3.557 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903337446 584751675 /nfs/dbraw/zinc/75/16/75/584751675.db2.gz CVFPUUWHCMNLGM-HUBLWGQQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903337447 584751736 /nfs/dbraw/zinc/75/17/36/584751736.db2.gz CVFPUUWHCMNLGM-SLEUVZQESA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903337448 584751707 /nfs/dbraw/zinc/75/17/07/584751707.db2.gz CVFPUUWHCMNLGM-YWPYICTPSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903337449 584751891 /nfs/dbraw/zinc/75/18/91/584751891.db2.gz CVFPUUWHCMNLGM-ZOWXZIJZSA-N 1 0 232.371 3.557 20 0 BHADRO CC1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903339099 584751810 /nfs/dbraw/zinc/75/18/10/584751810.db2.gz KPCPTMWMYAHFAP-LDZOIKDWSA-N 1 0 244.382 3.701 20 0 BHADRO CC1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903339100 584751940 /nfs/dbraw/zinc/75/19/40/584751940.db2.gz KPCPTMWMYAHFAP-PXCJXSSVSA-N 1 0 244.382 3.701 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903339483 584752359 /nfs/dbraw/zinc/75/23/59/584752359.db2.gz LVWUSGBKOBJTNY-DOMZBBRYSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903339484 584752057 /nfs/dbraw/zinc/75/20/57/584752057.db2.gz LVWUSGBKOBJTNY-IUODEOHRSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903339485 584752049 /nfs/dbraw/zinc/75/20/49/584752049.db2.gz LVWUSGBKOBJTNY-SWLSCSKDSA-N 1 0 232.371 3.701 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903339486 584752307 /nfs/dbraw/zinc/75/23/07/584752307.db2.gz LVWUSGBKOBJTNY-WFASDCNBSA-N 1 0 232.371 3.701 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903339524 584752336 /nfs/dbraw/zinc/75/23/36/584752336.db2.gz MKIOCJZGBUTREN-DOMZBBRYSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903339525 584752122 /nfs/dbraw/zinc/75/21/22/584752122.db2.gz MKIOCJZGBUTREN-IUODEOHRSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903339526 584752243 /nfs/dbraw/zinc/75/22/43/584752243.db2.gz MKIOCJZGBUTREN-SWLSCSKDSA-N 1 0 232.371 3.557 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903339527 584752340 /nfs/dbraw/zinc/75/23/40/584752340.db2.gz MKIOCJZGBUTREN-WFASDCNBSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C1CCCC1 ZINC000903339559 584752249 /nfs/dbraw/zinc/75/22/49/584752249.db2.gz MVCHYVYNFVAQAE-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C1CCCC1 ZINC000903339779 584752244 /nfs/dbraw/zinc/75/22/44/584752244.db2.gz MVCHYVYNFVAQAE-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C1CCCC1 ZINC000903339781 584752105 /nfs/dbraw/zinc/75/21/05/584752105.db2.gz MVCHYVYNFVAQAE-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C1CCCC1 ZINC000903339783 584752253 /nfs/dbraw/zinc/75/22/53/584752253.db2.gz MVCHYVYNFVAQAE-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903340082 584752363 /nfs/dbraw/zinc/75/23/63/584752363.db2.gz PPHUCEWMIPXFGM-INWMFGNUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903340083 584752171 /nfs/dbraw/zinc/75/21/71/584752171.db2.gz PPHUCEWMIPXFGM-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903340084 584752255 /nfs/dbraw/zinc/75/22/55/584752255.db2.gz PPHUCEWMIPXFGM-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903340085 584752257 /nfs/dbraw/zinc/75/22/57/584752257.db2.gz PPHUCEWMIPXFGM-XPKDYRNWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340378 584752384 /nfs/dbraw/zinc/75/23/84/584752384.db2.gz QPRSUCPPRMZLDW-BLLLJJGKSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H](CC1CCC1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340379 584752069 /nfs/dbraw/zinc/75/20/69/584752069.db2.gz QPRSUCPPRMZLDW-LRDDRELGSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340380 584752261 /nfs/dbraw/zinc/75/22/61/584752261.db2.gz QPRSUCPPRMZLDW-MLGOLLRUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@H](CC1CCC1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340381 584752108 /nfs/dbraw/zinc/75/21/08/584752108.db2.gz QPRSUCPPRMZLDW-WBMJQRKESA-N 1 0 244.382 3.701 20 0 BHADRO c1ccc([C@@H]([NH2+]C2CCCCCC2)C2CC2)nc1 ZINC000903340570 584752282 /nfs/dbraw/zinc/75/22/82/584752282.db2.gz RLLUJMRVAOKNPZ-INIZCTEOSA-N 1 0 244.382 3.845 20 0 BHADRO c1ccc([C@H]([NH2+]C2CCCCCC2)C2CC2)nc1 ZINC000903340572 584752191 /nfs/dbraw/zinc/75/21/91/584752191.db2.gz RLLUJMRVAOKNPZ-MRXNPFEDSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340706 584752085 /nfs/dbraw/zinc/75/20/85/584752085.db2.gz SKQKKBQDXCASFV-INWMFGNUSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340707 584752155 /nfs/dbraw/zinc/75/21/55/584752155.db2.gz SKQKKBQDXCASFV-IVMMDQJWSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340708 584752203 /nfs/dbraw/zinc/75/22/03/584752203.db2.gz SKQKKBQDXCASFV-XNRPHZJLSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340709 584752332 /nfs/dbraw/zinc/75/23/32/584752332.db2.gz SKQKKBQDXCASFV-XPKDYRNWSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000903341352 584752608 /nfs/dbraw/zinc/75/26/08/584752608.db2.gz NGDCXQZSUFMHPZ-GHMZBOCLSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000903341353 584752448 /nfs/dbraw/zinc/75/24/48/584752448.db2.gz NGDCXQZSUFMHPZ-MNOVXSKESA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000903341354 584752482 /nfs/dbraw/zinc/75/24/82/584752482.db2.gz NGDCXQZSUFMHPZ-QWRGUYRKSA-N 1 0 231.330 3.590 20 0 BHADRO CC1(C)CC[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000903341355 584752831 /nfs/dbraw/zinc/75/28/31/584752831.db2.gz NGDCXQZSUFMHPZ-WDEREUQCSA-N 1 0 231.330 3.590 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC=CCCC1 ZINC000903346127 584753221 /nfs/dbraw/zinc/75/32/21/584753221.db2.gz RGUMDYWNJVCCPQ-GXTWGEPZSA-N 1 0 247.386 3.505 20 0 BHADRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC=CCCC1 ZINC000903346129 584753237 /nfs/dbraw/zinc/75/32/37/584753237.db2.gz RGUMDYWNJVCCPQ-JSGCOSHPSA-N 1 0 247.386 3.505 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC=CCCC1 ZINC000903346130 584753161 /nfs/dbraw/zinc/75/31/61/584753161.db2.gz RGUMDYWNJVCCPQ-OCCSQVGLSA-N 1 0 247.386 3.505 20 0 BHADRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC=CCCC1 ZINC000903346132 584753001 /nfs/dbraw/zinc/75/30/01/584753001.db2.gz RGUMDYWNJVCCPQ-TZMCWYRMSA-N 1 0 247.386 3.505 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@H]1CCC=CCCC1 ZINC000903346576 584753112 /nfs/dbraw/zinc/75/31/12/584753112.db2.gz UYAKSVRJXBZJBN-CABCVRRESA-N 1 0 239.403 3.528 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@H]1CCC=CCCC1 ZINC000903346578 584753139 /nfs/dbraw/zinc/75/31/39/584753139.db2.gz UYAKSVRJXBZJBN-GJZGRUSLSA-N 1 0 239.403 3.528 20 0 BHADRO COCCC[C@@H](C)[NH2+]C[C@@H]1CCC=CCCC1 ZINC000903346579 584753156 /nfs/dbraw/zinc/75/31/56/584753156.db2.gz UYAKSVRJXBZJBN-HUUCEWRRSA-N 1 0 239.403 3.528 20 0 BHADRO COCCC[C@H](C)[NH2+]C[C@@H]1CCC=CCCC1 ZINC000903346582 584753234 /nfs/dbraw/zinc/75/32/34/584753234.db2.gz UYAKSVRJXBZJBN-LSDHHAIUSA-N 1 0 239.403 3.528 20 0 BHADRO CC[C@H](C)[NH2+]CCC1CCC(F)(F)CC1 ZINC000903346691 584753126 /nfs/dbraw/zinc/75/31/26/584753126.db2.gz VQYLKCRSFLDEKU-JTQLQIEISA-N 1 0 219.319 3.590 20 0 BHADRO CC[C@@H](C)[NH2+]CCC1CCC(F)(F)CC1 ZINC000903346695 584752951 /nfs/dbraw/zinc/75/29/51/584752951.db2.gz VQYLKCRSFLDEKU-SNVBAGLBSA-N 1 0 219.319 3.590 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CCC=CCCC2)no1 ZINC000903347267 584752934 /nfs/dbraw/zinc/75/29/34/584752934.db2.gz ZLKSNXUKJOYDDH-KBPBESRZSA-N 1 0 248.370 3.770 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC=CCCC2)no1 ZINC000903347268 584753130 /nfs/dbraw/zinc/75/31/30/584753130.db2.gz ZLKSNXUKJOYDDH-KGLIPLIRSA-N 1 0 248.370 3.770 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC=CCCC2)no1 ZINC000903347269 584753207 /nfs/dbraw/zinc/75/32/07/584753207.db2.gz ZLKSNXUKJOYDDH-UONOGXRCSA-N 1 0 248.370 3.770 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC=CCCC2)no1 ZINC000903347270 584752937 /nfs/dbraw/zinc/75/29/37/584752937.db2.gz ZLKSNXUKJOYDDH-ZIAGYGMSSA-N 1 0 248.370 3.770 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903412502 637359304 /nfs/dbraw/zinc/35/93/04/637359304.db2.gz FZRLCTBHOQJTAH-UMVBOHGHSA-N 1 0 244.382 3.649 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903412504 637358556 /nfs/dbraw/zinc/35/85/56/637358556.db2.gz FZRLCTBHOQJTAH-VNHYZAJKSA-N 1 0 244.382 3.649 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(O)c1F ZINC000903415224 584760171 /nfs/dbraw/zinc/76/01/71/584760171.db2.gz ZVICPFGUAONULO-NQBHXWOUSA-N 1 0 249.329 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(O)c1F ZINC000903415225 584760285 /nfs/dbraw/zinc/76/02/85/584760285.db2.gz ZVICPFGUAONULO-NTZNESFSSA-N 1 0 249.329 3.537 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c(C)n1 ZINC000903415230 584760155 /nfs/dbraw/zinc/76/01/55/584760155.db2.gz ZWXRUACREGVXTC-DIOULYMOSA-N 1 0 244.382 3.704 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c(C)n1 ZINC000903415231 584760138 /nfs/dbraw/zinc/76/01/38/584760138.db2.gz ZWXRUACREGVXTC-DJSGYFEHSA-N 1 0 244.382 3.704 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903427208 584761255 /nfs/dbraw/zinc/76/12/55/584761255.db2.gz FUOWVWYYDKFYAI-HUBLWGQQSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903427209 584761076 /nfs/dbraw/zinc/76/10/76/584761076.db2.gz FUOWVWYYDKFYAI-SLEUVZQESA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903427210 584760994 /nfs/dbraw/zinc/76/09/94/584760994.db2.gz FUOWVWYYDKFYAI-YWPYICTPSA-N 1 0 232.371 3.557 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903427211 584760827 /nfs/dbraw/zinc/76/08/27/584760827.db2.gz FUOWVWYYDKFYAI-ZOWXZIJZSA-N 1 0 232.371 3.557 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429760 584761633 /nfs/dbraw/zinc/76/16/33/584761633.db2.gz WBVGGRREMVKCMU-DAXOMENPSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429761 584761475 /nfs/dbraw/zinc/76/14/75/584761475.db2.gz WBVGGRREMVKCMU-KCXAZCMYSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429762 584761609 /nfs/dbraw/zinc/76/16/09/584761609.db2.gz WBVGGRREMVKCMU-UHOFOFEASA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]1CCCC[C@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429763 584761621 /nfs/dbraw/zinc/76/16/21/584761621.db2.gz WBVGGRREMVKCMU-WQVCFCJDSA-N 1 0 244.382 3.701 20 0 BHADRO Cl/C=C/C[NH2+][C@@H]1CCSc2ccccc21 ZINC000903441936 584767427 /nfs/dbraw/zinc/76/74/27/584767427.db2.gz HTBPGJMBKGMKEL-CGAJTASUSA-N 1 0 239.771 3.566 20 0 BHADRO Cl/C=C\C[NH2+][C@@H]1CCSc2ccccc21 ZINC000903441937 584767663 /nfs/dbraw/zinc/76/76/63/584767663.db2.gz HTBPGJMBKGMKEL-KGHNQEBZSA-N 1 0 239.771 3.566 20 0 BHADRO Cl/C=C/C[NH2+][C@H]1CCSc2ccccc21 ZINC000903441938 584767232 /nfs/dbraw/zinc/76/72/32/584767232.db2.gz HTBPGJMBKGMKEL-KTROKBFUSA-N 1 0 239.771 3.566 20 0 BHADRO Cl/C=C\C[NH2+][C@H]1CCSc2ccccc21 ZINC000903441939 584767241 /nfs/dbraw/zinc/76/72/41/584767241.db2.gz HTBPGJMBKGMKEL-UFVHFEBBSA-N 1 0 239.771 3.566 20 0 BHADRO C[C@H]([NH2+]C/C=C/Cl)c1csc(Cl)c1 ZINC000903443269 584767816 /nfs/dbraw/zinc/76/78/16/584767816.db2.gz FDSMJXSMUDYUJR-AIYRYJHASA-N 1 0 236.167 3.805 20 0 BHADRO C[C@@H]([NH2+]C/C=C\Cl)c1csc(Cl)c1 ZINC000903443270 584767732 /nfs/dbraw/zinc/76/77/32/584767732.db2.gz FDSMJXSMUDYUJR-SKRYNEFJSA-N 1 0 236.167 3.805 20 0 BHADRO C[C@@H]([NH2+]C/C=C/Cl)c1csc(Cl)c1 ZINC000903443271 584768081 /nfs/dbraw/zinc/76/80/81/584768081.db2.gz FDSMJXSMUDYUJR-TYWZFMJISA-N 1 0 236.167 3.805 20 0 BHADRO C[C@H]([NH2+]C/C=C\Cl)c1csc(Cl)c1 ZINC000903443272 584767926 /nfs/dbraw/zinc/76/79/26/584767926.db2.gz FDSMJXSMUDYUJR-XDVGHUOJSA-N 1 0 236.167 3.805 20 0 BHADRO CC(C)C[C@@H]([NH2+]C/C=C\Cl)c1ccncc1 ZINC000903443732 584768577 /nfs/dbraw/zinc/76/85/77/584768577.db2.gz KDTNDDLWIATUFN-ACVFHECNSA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@H]([NH2+]C/C=C\Cl)c1ccncc1 ZINC000903443733 584768468 /nfs/dbraw/zinc/76/84/68/584768468.db2.gz KDTNDDLWIATUFN-RJNRQISESA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@@H]([NH2+]C/C=C/Cl)c1ccncc1 ZINC000903443734 584768821 /nfs/dbraw/zinc/76/88/21/584768821.db2.gz KDTNDDLWIATUFN-VUUYWXRKSA-N 1 0 238.762 3.511 20 0 BHADRO CC(C)C[C@H]([NH2+]C/C=C/Cl)c1ccncc1 ZINC000903443735 584768825 /nfs/dbraw/zinc/76/88/25/584768825.db2.gz KDTNDDLWIATUFN-YIALFULDSA-N 1 0 238.762 3.511 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C\Cl)c1cc(C)ccn1 ZINC000903443764 584768588 /nfs/dbraw/zinc/76/85/88/584768588.db2.gz KTAUUHVMHKPSFX-DJFZKKHWSA-N 1 0 238.762 3.573 20 0 BHADRO CCC[C@H]([NH2+]C/C=C\Cl)c1cc(C)ccn1 ZINC000903443765 584768689 /nfs/dbraw/zinc/76/86/89/584768689.db2.gz KTAUUHVMHKPSFX-KMSCOEIWSA-N 1 0 238.762 3.573 20 0 BHADRO CCC[C@H]([NH2+]C/C=C/Cl)c1cc(C)ccn1 ZINC000903443766 584768752 /nfs/dbraw/zinc/76/87/52/584768752.db2.gz KTAUUHVMHKPSFX-NTYUQYKDSA-N 1 0 238.762 3.573 20 0 BHADRO CCC[C@@H]([NH2+]C/C=C/Cl)c1cc(C)ccn1 ZINC000903443767 584768984 /nfs/dbraw/zinc/76/89/84/584768984.db2.gz KTAUUHVMHKPSFX-RPTYSRGTSA-N 1 0 238.762 3.573 20 0 BHADRO CC[C@H]([NH2+]C/C=C\Cl)c1ccsc1 ZINC000903444331 584769241 /nfs/dbraw/zinc/76/92/41/584769241.db2.gz OTNSEPUGFNZBBM-ATPLWMGHSA-N 1 0 215.749 3.541 20 0 BHADRO CC[C@H]([NH2+]C/C=C/Cl)c1ccsc1 ZINC000903444332 584769285 /nfs/dbraw/zinc/76/92/85/584769285.db2.gz OTNSEPUGFNZBBM-GFAPAMAISA-N 1 0 215.749 3.541 20 0 BHADRO CC[C@@H]([NH2+]C/C=C/Cl)c1ccsc1 ZINC000903444333 584769254 /nfs/dbraw/zinc/76/92/54/584769254.db2.gz OTNSEPUGFNZBBM-RXNUUUNCSA-N 1 0 215.749 3.541 20 0 BHADRO CC[C@@H]([NH2+]C/C=C\Cl)c1ccsc1 ZINC000903444334 584769649 /nfs/dbraw/zinc/76/96/49/584769649.db2.gz OTNSEPUGFNZBBM-TZGMSPROSA-N 1 0 215.749 3.541 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCCCC2)CC1)c1ccncc1 ZINC000903447742 584770542 /nfs/dbraw/zinc/77/05/42/584770542.db2.gz BWZPSDQFYQIZKJ-CYBMUJFWSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H]([NH2+]C1(C2CCCCC2)CC1)c1ccncc1 ZINC000903447743 584770822 /nfs/dbraw/zinc/77/08/22/584770822.db2.gz BWZPSDQFYQIZKJ-ZDUSSCGKSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCCCC2)CC1)c1cccnc1 ZINC000903447770 584770446 /nfs/dbraw/zinc/77/04/46/584770446.db2.gz CGBAXQPXYIERHO-CYBMUJFWSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H]([NH2+]C1(C2CCCCC2)CC1)c1cccnc1 ZINC000903447771 584770800 /nfs/dbraw/zinc/77/08/00/584770800.db2.gz CGBAXQPXYIERHO-ZDUSSCGKSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCCCC2)CC1)c1ccccn1 ZINC000903447883 584770784 /nfs/dbraw/zinc/77/07/84/584770784.db2.gz FFSOGOMTEYRMMO-CYBMUJFWSA-N 1 0 244.382 3.845 20 0 BHADRO C[C@H]([NH2+]C1(C2CCCCC2)CC1)c1ccccn1 ZINC000903447884 584770872 /nfs/dbraw/zinc/77/08/72/584770872.db2.gz FFSOGOMTEYRMMO-ZDUSSCGKSA-N 1 0 244.382 3.845 20 0 BHADRO Cc1cc([C@@H](C)[NH2+]C2(C3CCCCC3)CC2)no1 ZINC000903448080 584770793 /nfs/dbraw/zinc/77/07/93/584770793.db2.gz JFWNKYIGWYLUGR-GFCCVEGCSA-N 1 0 248.370 3.747 20 0 BHADRO Cc1cc([C@H](C)[NH2+]C2(C3CCCCC3)CC2)no1 ZINC000903448081 584770560 /nfs/dbraw/zinc/77/05/60/584770560.db2.gz JFWNKYIGWYLUGR-LBPRGKRZSA-N 1 0 248.370 3.747 20 0 BHADRO COCCC[C@@H](C)[NH2+]C1(C2CCCCC2)CC1 ZINC000903449196 584771403 /nfs/dbraw/zinc/77/14/03/584771403.db2.gz WMMRVSFYBJYUIU-CYBMUJFWSA-N 1 0 239.403 3.504 20 0 BHADRO COCCC[C@H](C)[NH2+]C1(C2CCCCC2)CC1 ZINC000903449197 584771125 /nfs/dbraw/zinc/77/11/25/584771125.db2.gz WMMRVSFYBJYUIU-ZDUSSCGKSA-N 1 0 239.403 3.504 20 0 BHADRO C1CC1([NH2+]C1CCSCC1)C1CCCCC1 ZINC000903449381 584771593 /nfs/dbraw/zinc/77/15/93/584771593.db2.gz YFKKREXCCPLRIM-UHFFFAOYSA-N 1 0 239.428 3.585 20 0 BHADRO CC(C)([NH3+])c1ccc(NCc2ccsc2)cc1 ZINC000904472110 637425802 /nfs/dbraw/zinc/42/58/02/637425802.db2.gz LKJAHZQFLCDSCI-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO CC(C)([NH3+])c1ccc(NCc2cccs2)cc1 ZINC000904472927 637424882 /nfs/dbraw/zinc/42/48/82/637424882.db2.gz ODDWVBNCBJZDKY-UHFFFAOYSA-N 1 0 246.379 3.554 20 0 BHADRO C[C@H](c1ccc(-c2cc[nH]c2)cc1)[NH+]1CCCC1 ZINC000904844009 637503063 /nfs/dbraw/zinc/50/30/63/637503063.db2.gz PRZBUWWACSQYIQ-CYBMUJFWSA-N 1 0 240.350 3.839 20 0 BHADRO C[C@@H](c1ccc(-c2cc[nH]c2)cc1)[NH+]1CCCC1 ZINC000904844012 637502291 /nfs/dbraw/zinc/50/22/91/637502291.db2.gz PRZBUWWACSQYIQ-ZDUSSCGKSA-N 1 0 240.350 3.839 20 0 BHADRO C[NH+](C)Cc1ccc(-c2ccsc2)s1 ZINC000904864912 637513456 /nfs/dbraw/zinc/51/34/56/637513456.db2.gz PWNQKUIJVHBULY-UHFFFAOYSA-N 1 0 223.366 3.538 20 0 BHADRO Cc1cc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cs1 ZINC000906158308 638065475 /nfs/dbraw/zinc/06/54/75/638065475.db2.gz KXZJPNUGMYPBNN-AWEZNQCLSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1cc(-c2cncc([C@H]3CCC[NH2+]3)c2)cs1 ZINC000906158310 638066896 /nfs/dbraw/zinc/06/68/96/638066896.db2.gz KXZJPNUGMYPBNN-CQSZACIVSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1ccsc1-c1cncc([C@H]2CCC[NH2+]2)c1 ZINC000906166054 638081123 /nfs/dbraw/zinc/08/11/23/638081123.db2.gz VWPBEGIIUMNILZ-CYBMUJFWSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1ccsc1-c1cncc([C@@H]2CCC[NH2+]2)c1 ZINC000906166055 638079670 /nfs/dbraw/zinc/07/96/70/638079670.db2.gz VWPBEGIIUMNILZ-ZDUSSCGKSA-N 1 0 244.363 3.543 20 0 BHADRO CC(C)[NH2+]Cc1cccc(-c2ccccc2O)c1 ZINC000906168588 638083207 /nfs/dbraw/zinc/08/32/07/638083207.db2.gz MCHZSTZXVWVATC-UHFFFAOYSA-N 1 0 241.334 3.557 20 0 BHADRO CC(C)[NH2+]Cc1ccc(-c2ccccc2O)cc1 ZINC000906169489 638084151 /nfs/dbraw/zinc/08/41/51/638084151.db2.gz WHGFNVZOITYJET-UHFFFAOYSA-N 1 0 241.334 3.557 20 0 BHADRO Cc1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)s1 ZINC000906182253 638094057 /nfs/dbraw/zinc/09/40/57/638094057.db2.gz ZAENCQQQVKXXKO-CYBMUJFWSA-N 1 0 244.363 3.543 20 0 BHADRO Cc1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)s1 ZINC000906182254 638094364 /nfs/dbraw/zinc/09/43/64/638094364.db2.gz ZAENCQQQVKXXKO-ZDUSSCGKSA-N 1 0 244.363 3.543 20 0 BHADRO CCC(CC)[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906523918 638189286 /nfs/dbraw/zinc/18/92/86/638189286.db2.gz AEVFSXRASYXBTM-UHFFFAOYSA-N 1 0 244.338 3.620 20 0 BHADRO CCC[C@@H](C)[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906525786 638190158 /nfs/dbraw/zinc/19/01/58/638190158.db2.gz OUFYEAVXPVEQTN-GFCCVEGCSA-N 1 0 244.338 3.620 20 0 BHADRO CCC[C@H](C)[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906525787 638189155 /nfs/dbraw/zinc/18/91/55/638189155.db2.gz OUFYEAVXPVEQTN-LBPRGKRZSA-N 1 0 244.338 3.620 20 0 BHADRO CCCC[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000906533395 638199750 /nfs/dbraw/zinc/19/97/50/638199750.db2.gz FOBUBPJCMMUAPM-UHFFFAOYSA-N 1 0 227.392 3.502 20 0 BHADRO CCCC[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000906533974 638200920 /nfs/dbraw/zinc/20/09/20/638200920.db2.gz LKWBOWQEIRRGAH-WDEREUQCSA-N 1 0 235.293 3.521 20 0 BHADRO CC(C)CC[N@H+](CCc1ccccc1)C1CC1 ZINC000914573659 641736185 /nfs/dbraw/zinc/73/61/85/641736185.db2.gz OGZKZMUGKGWEST-UHFFFAOYSA-N 1 0 231.383 3.740 20 0 BHADRO CCCC[NH2+]Cc1ccccc1COC(C)C ZINC000914581987 641740010 /nfs/dbraw/zinc/74/00/10/641740010.db2.gz RGCFRSQDINXWBH-UHFFFAOYSA-N 1 0 235.371 3.501 20 0 BHADRO C[C@@H]([N@H+](C)C[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000914584237 641738751 /nfs/dbraw/zinc/73/87/51/641738751.db2.gz PTDZXHLINWHWEX-BDAKNGLRSA-N 1 0 238.202 3.547 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000914584243 641738217 /nfs/dbraw/zinc/73/82/17/641738217.db2.gz PTDZXHLINWHWEX-DTWKUNHWSA-N 1 0 238.202 3.547 20 0 BHADRO C[C@H]([N@H+](C)C[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000914584245 641739121 /nfs/dbraw/zinc/73/91/21/641739121.db2.gz PTDZXHLINWHWEX-IUCAKERBSA-N 1 0 238.202 3.547 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000914584246 641739707 /nfs/dbraw/zinc/73/97/07/641739707.db2.gz PTDZXHLINWHWEX-RKDXNWHRSA-N 1 0 238.202 3.547 20 0 BHADRO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000914584319 641739403 /nfs/dbraw/zinc/73/94/03/641739403.db2.gz SOHZOLQNIVXDMK-AWEZNQCLSA-N 1 0 249.398 3.740 20 0 BHADRO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000914584321 641739293 /nfs/dbraw/zinc/73/92/93/641739293.db2.gz SOHZOLQNIVXDMK-CQSZACIVSA-N 1 0 249.398 3.740 20 0 BHADRO CCCC[N@H+](CCOc1ccc(C)cc1)C1CC1 ZINC000914788992 641765652 /nfs/dbraw/zinc/76/56/52/641765652.db2.gz RWNFDPCTFGGTDR-UHFFFAOYSA-N 1 0 247.382 3.638 20 0 BHADRO CC(C)[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000914816211 641769921 /nfs/dbraw/zinc/76/99/21/641769921.db2.gz LTQQREUTALTENE-RMKNXTFCSA-N 1 0 223.747 3.650 20 0 BHADRO CC(C)[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000914816212 641770460 /nfs/dbraw/zinc/77/04/60/641770460.db2.gz LTQQREUTALTENE-TWGQIWQCSA-N 1 0 223.747 3.650 20 0 BHADRO CCC(CC)[N@H+](C/C=C/Cl)C/C=C\Cl ZINC000914866145 641777707 /nfs/dbraw/zinc/77/77/07/641777707.db2.gz GVWVMFCRDOVDHS-CGXWXWIYSA-N 1 0 236.186 3.982 20 0 BHADRO CCC(CC)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000914866148 641777925 /nfs/dbraw/zinc/77/79/25/641777925.db2.gz GVWVMFCRDOVDHS-KQQUZDAGSA-N 1 0 236.186 3.982 20 0 BHADRO CCC(CC)[NH+](C/C=C\Cl)C/C=C\Cl ZINC000914866149 641776922 /nfs/dbraw/zinc/77/69/22/641776922.db2.gz GVWVMFCRDOVDHS-SFECMWDFSA-N 1 0 236.186 3.982 20 0 BHADRO CC(C)[C@H](C)[NH+](C/C=C\Cl)C/C=C\Cl ZINC000914867473 641777112 /nfs/dbraw/zinc/77/71/12/641777112.db2.gz WIZRDMWXMMQLFA-MXZTVDLZSA-N 1 0 236.186 3.838 20 0 BHADRO CC(C)[C@H](C)[N@H+](C/C=C/Cl)C/C=C\Cl ZINC000914867476 641777508 /nfs/dbraw/zinc/77/75/08/641777508.db2.gz WIZRDMWXMMQLFA-QNEWNFPGSA-N 1 0 236.186 3.838 20 0 BHADRO CC(C)[C@H](C)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000914867477 641776590 /nfs/dbraw/zinc/77/65/90/641776590.db2.gz WIZRDMWXMMQLFA-UKHCKUPLSA-N 1 0 236.186 3.838 20 0 BHADRO CC(C)[C@@H](C)[NH+](C/C=C/Cl)C/C=C/Cl ZINC000914867478 641777731 /nfs/dbraw/zinc/77/77/31/641777731.db2.gz WIZRDMWXMMQLFA-VIAOPVCOSA-N 1 0 236.186 3.838 20 0 BHADRO Cl/C=C/C[NH+](C/C=C/Cl)CC1CCCC1 ZINC000914875230 641776489 /nfs/dbraw/zinc/77/64/89/641776489.db2.gz ZSIMFCIBMHGWHD-FCXRPNKRSA-N 1 0 248.197 3.984 20 0 BHADRO Cl/C=C/C[N@H+](C/C=C\Cl)CC1CCCC1 ZINC000914875231 641777537 /nfs/dbraw/zinc/77/75/37/641777537.db2.gz ZSIMFCIBMHGWHD-KYPMKJFLSA-N 1 0 248.197 3.984 20 0 BHADRO Cl/C=C\C[NH+](C/C=C\Cl)CC1CCCC1 ZINC000914875233 641776942 /nfs/dbraw/zinc/77/69/42/641776942.db2.gz ZSIMFCIBMHGWHD-VHOZIDCHSA-N 1 0 248.197 3.984 20 0 BHADRO CCCCNc1nc2ccccc2n1CCC ZINC000915669594 641851747 /nfs/dbraw/zinc/85/17/47/641851747.db2.gz METFCOYOUFMCFS-UHFFFAOYSA-N 1 0 231.343 3.658 20 0 BHADRO CCCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000915676684 641851354 /nfs/dbraw/zinc/85/13/54/641851354.db2.gz QVXFJUKEBFIXEX-UHFFFAOYSA-N 1 0 229.367 3.884 20 0 BHADRO CCC[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000915678909 641850101 /nfs/dbraw/zinc/85/01/01/641850101.db2.gz ZQKQEZPGDQPZNR-UHFFFAOYSA-N 1 0 246.398 3.519 20 0 BHADRO CCCC[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000915680058 641853305 /nfs/dbraw/zinc/85/33/05/641853305.db2.gz AZNUCFSHYXXTTR-HNNXBMFYSA-N 1 0 232.371 3.799 20 0 BHADRO CCCC[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000915680059 641852862 /nfs/dbraw/zinc/85/28/62/641852862.db2.gz AZNUCFSHYXXTTR-OAHLLOKOSA-N 1 0 232.371 3.799 20 0 BHADRO CCCC[NH2+]CCc1ccc(OCCCC)cc1 ZINC000915683596 641852966 /nfs/dbraw/zinc/85/29/66/641852966.db2.gz WKLZMHVKFHTDNW-UHFFFAOYSA-N 1 0 249.398 3.798 20 0 BHADRO Cl/C=C\C[N@H+](C1CC1)C1CCCCC1 ZINC000915685528 641852738 /nfs/dbraw/zinc/85/27/38/641852738.db2.gz BEYDJGUSUGQPML-WTKPLQERSA-N 1 0 213.752 3.536 20 0 BHADRO Cc1ccc([C@H](C)[N@H+](C)C/C=C\Cl)cc1 ZINC000915689219 641852628 /nfs/dbraw/zinc/85/26/28/641852628.db2.gz JHOCQRRYVYMAAP-REPPVQDKSA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccc([C@@H](C)[N@H+](C)C/C=C\Cl)cc1 ZINC000915689220 641852902 /nfs/dbraw/zinc/85/29/02/641852902.db2.gz JHOCQRRYVYMAAP-TWLAMCEISA-N 1 0 223.747 3.740 20 0 BHADRO CC[N@H+](C/C=C\Cl)Cc1cccc(Cl)c1 ZINC000915689972 641853328 /nfs/dbraw/zinc/85/33/28/641853328.db2.gz MAHWVPGOCLGIKD-DAXSKMNVSA-N 1 0 244.165 3.914 20 0 BHADRO C(=C\c1ccccc1)\C[NH+]1CCCCCCC1 ZINC000916613563 711873595 /nfs/dbraw/zinc/87/35/95/711873595.db2.gz PKYABBKDOVMFJN-XFXZXTDPSA-N 1 0 229.367 3.966 20 0 BHADRO CCCC[NH2+]Cc1ccccc1COCCC ZINC000916835594 641980473 /nfs/dbraw/zinc/98/04/73/641980473.db2.gz SWZBIQZWOFLFLI-UHFFFAOYSA-N 1 0 235.371 3.503 20 0 BHADRO CCCCNc1cccc(C[NH+]2CCCCC2)c1 ZINC000916842470 641980817 /nfs/dbraw/zinc/98/08/17/641980817.db2.gz JMKDGAGHJCACBD-UHFFFAOYSA-N 1 0 246.398 3.885 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\Cl)[C@@H]2CCCC[C@@H]12 ZINC000917053258 641996561 /nfs/dbraw/zinc/99/65/61/641996561.db2.gz VVMLZCPVQKWWSU-DWYHGGRPSA-N 1 0 227.779 3.640 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/Cl)[C@@H]2CCCC[C@H]12 ZINC000917053259 641997789 /nfs/dbraw/zinc/99/77/89/641997789.db2.gz VVMLZCPVQKWWSU-NLJIYFGUSA-N 1 0 227.779 3.640 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C/Cl)[C@@H]2CCCC[C@@H]12 ZINC000917053260 641996683 /nfs/dbraw/zinc/99/66/83/641996683.db2.gz VVMLZCPVQKWWSU-PIXJVXROSA-N 1 0 227.779 3.640 20 0 BHADRO C[C@@H]1CC[N@H+](C/C=C\Cl)[C@@H]2CCCC[C@H]12 ZINC000917053261 641997873 /nfs/dbraw/zinc/99/78/73/641997873.db2.gz VVMLZCPVQKWWSU-ZXTJVADRSA-N 1 0 227.779 3.640 20 0 BHADRO CSCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000917060652 641996889 /nfs/dbraw/zinc/99/68/89/641996889.db2.gz ZQMWOEPLCSBXEN-UHFFFAOYSA-N 1 0 241.444 3.642 20 0 BHADRO Cl/C=C\C[N@H+](Cc1ccco1)C1CCCC1 ZINC000917063373 641999084 /nfs/dbraw/zinc/99/90/84/641999084.db2.gz IPYQVOZKNDTYKH-YWEYNIOJSA-N 1 0 239.746 3.777 20 0 BHADRO C[N@@H+](C/C=C\Cl)CCCCc1ccccc1 ZINC000917063804 641999251 /nfs/dbraw/zinc/99/92/51/641999251.db2.gz JVSYWXOTQRDYAL-XFFZJAGNSA-N 1 0 237.774 3.694 20 0 BHADRO CC1CCC([N@H+](C/C=C\Cl)C2CC2)CC1 ZINC000917065292 642000318 /nfs/dbraw/zinc/00/03/18/642000318.db2.gz USACVCBPPBPSGN-MBXJOHMKSA-N 1 0 227.779 3.782 20 0 BHADRO CC1CCC([N@H+](C/C=C/Cl)C2CC2)CC1 ZINC000917065293 641999119 /nfs/dbraw/zinc/99/91/19/641999119.db2.gz USACVCBPPBPSGN-XNWCZRBMSA-N 1 0 227.779 3.782 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000917066118 641999486 /nfs/dbraw/zinc/99/94/86/641999486.db2.gz VGRSPGDSHDAXFE-GHAIFCDISA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000917066119 641999038 /nfs/dbraw/zinc/99/90/38/641999038.db2.gz VGRSPGDSHDAXFE-IWOOQVRJSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000917066120 641999375 /nfs/dbraw/zinc/99/93/75/641999375.db2.gz VGRSPGDSHDAXFE-NVWZYQMFSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000917066121 641999001 /nfs/dbraw/zinc/99/90/01/641999001.db2.gz VGRSPGDSHDAXFE-RILDOFPPSA-N 1 0 249.785 3.836 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917067529 642002452 /nfs/dbraw/zinc/00/24/52/642002452.db2.gz LOVCJFBTHHRMNS-NEXMIYJRSA-N 1 0 227.779 3.784 20 0 BHADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917067530 642002328 /nfs/dbraw/zinc/00/23/28/642002328.db2.gz LOVCJFBTHHRMNS-OMDQHUAHSA-N 1 0 227.779 3.784 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917067531 642000966 /nfs/dbraw/zinc/00/09/66/642000966.db2.gz LOVCJFBTHHRMNS-QGOGUYACSA-N 1 0 227.779 3.784 20 0 BHADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917067532 642001598 /nfs/dbraw/zinc/00/15/98/642001598.db2.gz LOVCJFBTHHRMNS-WYOARUQKSA-N 1 0 227.779 3.784 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000917069591 642000659 /nfs/dbraw/zinc/00/06/59/642000659.db2.gz BNWDVRVBFQCEBB-KVEVGEHQSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000917069592 642001214 /nfs/dbraw/zinc/00/12/14/642001214.db2.gz BNWDVRVBFQCEBB-UQYHUFHVSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000917069593 642003070 /nfs/dbraw/zinc/00/30/70/642003070.db2.gz BNWDVRVBFQCEBB-VYLZPFMQSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1ccccc1[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000917069594 642002604 /nfs/dbraw/zinc/00/26/04/642002604.db2.gz BNWDVRVBFQCEBB-VZUFXWRPSA-N 1 0 235.758 3.884 20 0 BHADRO Cl/C=C/C[N@H+](CC1CCCCC1)C1CC1 ZINC000917072484 642004012 /nfs/dbraw/zinc/00/40/12/642004012.db2.gz JWAINFFHTKSAGZ-RUDMXATFSA-N 1 0 227.779 3.784 20 0 BHADRO Cl/C=C\C[N@H+](CC1CCCCC1)C1CC1 ZINC000917072485 642004843 /nfs/dbraw/zinc/00/48/43/642004843.db2.gz JWAINFFHTKSAGZ-WTKPLQERSA-N 1 0 227.779 3.784 20 0 BHADRO c1ccc(N2CCC(C3CCCCC3)CC2)nc1 ZINC000917082759 642004888 /nfs/dbraw/zinc/00/48/88/642004888.db2.gz RZDQIJJSRGWNPQ-UHFFFAOYSA-N 1 0 244.382 3.878 20 0 BHADRO C[C@@H](SC[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000917082861 642003781 /nfs/dbraw/zinc/00/37/81/642003781.db2.gz WQQZZFNVLIOWEF-GHMZBOCLSA-N 1 0 241.425 3.637 20 0 BHADRO C[C@@H](SC[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000917082862 642004096 /nfs/dbraw/zinc/00/40/96/642004096.db2.gz WQQZZFNVLIOWEF-MNOVXSKESA-N 1 0 241.425 3.637 20 0 BHADRO C[C@H](SC[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000917082863 642004764 /nfs/dbraw/zinc/00/47/64/642004764.db2.gz WQQZZFNVLIOWEF-QWRGUYRKSA-N 1 0 241.425 3.637 20 0 BHADRO C[C@H](SC[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000917082864 642004826 /nfs/dbraw/zinc/00/48/26/642004826.db2.gz WQQZZFNVLIOWEF-WDEREUQCSA-N 1 0 241.425 3.637 20 0 BHADRO c1ccc(-c2ccccc2C[NH2+]CC2CC2)cc1 ZINC000917394859 642055929 /nfs/dbraw/zinc/05/59/29/642055929.db2.gz SWQBBPNNQSNDHG-UHFFFAOYSA-N 1 0 237.346 3.853 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2C/C=C/Cl)c1 ZINC000917985637 642149654 /nfs/dbraw/zinc/14/96/54/642149654.db2.gz ZAIVNSFWXWLAHD-PXYYCUNGSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2C/C=C\Cl)c1 ZINC000917985638 642150188 /nfs/dbraw/zinc/15/01/88/642150188.db2.gz ZAIVNSFWXWLAHD-SMGNDMQFSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@@H+]2C/C=C\Cl)c1 ZINC000917985640 642149680 /nfs/dbraw/zinc/14/96/80/642149680.db2.gz ZAIVNSFWXWLAHD-VCDPDADVSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1cccc([C@H]2CCC[N@@H+]2C/C=C/Cl)c1 ZINC000917985641 642150950 /nfs/dbraw/zinc/15/09/50/642150950.db2.gz ZAIVNSFWXWLAHD-YOIVXCQUSA-N 1 0 235.758 3.884 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)C/C=C/Cl ZINC000918023858 642158951 /nfs/dbraw/zinc/15/89/51/642158951.db2.gz LSHJYPVFWVIUOL-LZGFCCKTSA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)C/C=C\Cl ZINC000918023859 642158216 /nfs/dbraw/zinc/15/82/16/642158216.db2.gz LSHJYPVFWVIUOL-OJIASSBASA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccccc1[C@H](C)[N@H+](C)C/C=C\Cl ZINC000918023860 642158877 /nfs/dbraw/zinc/15/88/77/642158877.db2.gz LSHJYPVFWVIUOL-PWWFUAJNSA-N 1 0 223.747 3.740 20 0 BHADRO Cc1ccccc1[C@@H](C)[N@H+](C)C/C=C/Cl ZINC000918023861 642158134 /nfs/dbraw/zinc/15/81/34/642158134.db2.gz LSHJYPVFWVIUOL-UVMWJGKXSA-N 1 0 223.747 3.740 20 0 BHADRO Cc1cc(C)cc(CSCC[NH+]2CCCC2)c1 ZINC000918751139 642262376 /nfs/dbraw/zinc/26/23/76/642262376.db2.gz VFMFTWRZDJJGJX-UHFFFAOYSA-N 1 0 249.423 3.632 20 0 BHADRO Cc1ccc(C)c(CSCC[NH+]2CCCC2)c1 ZINC000918751150 642262510 /nfs/dbraw/zinc/26/25/10/642262510.db2.gz VNZWEKYNORAQCF-UHFFFAOYSA-N 1 0 249.423 3.632 20 0 BHADRO CC(C)SCn1cnc(Cc2ccccc2)c1 ZINC000919157527 642302172 /nfs/dbraw/zinc/30/21/72/642302172.db2.gz WCMFXFOJFLXBKA-UHFFFAOYSA-N 1 0 246.379 3.573 20 0 BHADRO CC[N@H+](C/C=C\Cl)[C@H](C)c1ccc(F)cc1 ZINC000919770913 642389515 /nfs/dbraw/zinc/38/95/15/642389515.db2.gz VUHWPCSZXGASAH-KSHIFHCESA-N 1 0 241.737 3.961 20 0 BHADRO CC[N@H+](C/C=C\Cl)[C@@H](C)c1ccc(F)cc1 ZINC000919770914 642389535 /nfs/dbraw/zinc/38/95/35/642389535.db2.gz VUHWPCSZXGASAH-NJHLSQGMSA-N 1 0 241.737 3.961 20 0 BHADRO COc1c(C)cc(C[NH2+]CCC(C)(C)C)cc1C ZINC000920177568 642449005 /nfs/dbraw/zinc/44/90/05/642449005.db2.gz OLMHHYKFMWBELX-UHFFFAOYSA-N 1 0 249.398 3.838 20 0 BHADRO COc1c(C)cc(C[NH2+]CC2CCCC2)cc1C ZINC000920178079 642443931 /nfs/dbraw/zinc/44/39/31/642443931.db2.gz WDVQFHUGWQYSIY-UHFFFAOYSA-N 1 0 247.382 3.592 20 0 BHADRO CCCCC[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000920178122 642443773 /nfs/dbraw/zinc/44/37/73/642443773.db2.gz OVOZJYIDZJBBTP-UHFFFAOYSA-N 1 0 235.371 3.592 20 0 BHADRO CCCC[NH2+]CCc1ccccc1C(F)(F)F ZINC000920180033 642445570 /nfs/dbraw/zinc/44/55/70/642445570.db2.gz MJALRVHPUSITKB-UHFFFAOYSA-N 1 0 245.288 3.638 20 0 BHADRO C[C@@H](O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000920182903 642447020 /nfs/dbraw/zinc/44/70/20/642447020.db2.gz ZJKPRWGSYDWGRG-CYBMUJFWSA-N 1 0 247.382 3.552 20 0 BHADRO C[C@H](O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000920182904 642446445 /nfs/dbraw/zinc/44/64/45/642446445.db2.gz ZJKPRWGSYDWGRG-ZDUSSCGKSA-N 1 0 247.382 3.552 20 0 BHADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000920183759 642446084 /nfs/dbraw/zinc/44/60/84/642446084.db2.gz VGXAPSGYXUOKOE-BXUZGUMPSA-N 1 0 249.398 3.836 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000920183760 642445125 /nfs/dbraw/zinc/44/51/25/642445125.db2.gz VGXAPSGYXUOKOE-FZMZJTMJSA-N 1 0 249.398 3.836 20 0 BHADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000920183761 642446037 /nfs/dbraw/zinc/44/60/37/642446037.db2.gz VGXAPSGYXUOKOE-RISCZKNCSA-N 1 0 249.398 3.836 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000920183762 642446623 /nfs/dbraw/zinc/44/66/23/642446623.db2.gz VGXAPSGYXUOKOE-SMDDNHRTSA-N 1 0 249.398 3.836 20 0 BHADRO CC[C@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)C(C)C ZINC000920183948 642446080 /nfs/dbraw/zinc/44/60/80/642446080.db2.gz XUIGCQCHBDWSRA-HNNXBMFYSA-N 1 0 249.398 3.836 20 0 BHADRO CC[C@@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)C(C)C ZINC000920183950 642445323 /nfs/dbraw/zinc/44/53/23/642445323.db2.gz XUIGCQCHBDWSRA-OAHLLOKOSA-N 1 0 249.398 3.836 20 0 BHADRO CC(C)[N@H+](C/C=C/Cl)Cc1cccs1 ZINC000920208794 642447418 /nfs/dbraw/zinc/44/74/18/642447418.db2.gz OKXSLQJANLZORH-GQCTYLIASA-N 1 0 229.776 3.711 20 0 BHADRO CC(C)[N@H+](C/C=C\Cl)Cc1cccs1 ZINC000920208795 642448885 /nfs/dbraw/zinc/44/88/85/642448885.db2.gz OKXSLQJANLZORH-XQRVVYSFSA-N 1 0 229.776 3.711 20 0 BHADRO CC[N@H+](CCc1ccccn1)CC1CCCCC1 ZINC000920257804 642460302 /nfs/dbraw/zinc/46/03/02/642460302.db2.gz LKYAUDYGXHDRLY-UHFFFAOYSA-N 1 0 246.398 3.526 20 0 BHADRO CCCC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000920411128 642488025 /nfs/dbraw/zinc/48/80/25/642488025.db2.gz PULPDYCVLUXPCX-CVEARBPZSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000920411130 642487380 /nfs/dbraw/zinc/48/73/80/642487380.db2.gz PULPDYCVLUXPCX-HOTGVXAUSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000920411132 642488577 /nfs/dbraw/zinc/48/85/77/642488577.db2.gz PULPDYCVLUXPCX-HZPDHXFCSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000920411133 642487805 /nfs/dbraw/zinc/48/78/05/642487805.db2.gz PULPDYCVLUXPCX-JKSUJKDBSA-N 1 0 247.382 3.544 20 0 BHADRO CCCC[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000920837620 642556271 /nfs/dbraw/zinc/55/62/71/642556271.db2.gz FVCFRUTZDIXHPD-UHFFFAOYSA-N 1 0 230.355 3.674 20 0 BHADRO CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920955010 642564880 /nfs/dbraw/zinc/56/48/80/642564880.db2.gz LGNXDXUMACDUMJ-UHFFFAOYSA-N 1 0 246.398 3.567 20 0 BHADRO Cc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)o1 ZINC000921068809 711881675 /nfs/dbraw/zinc/88/16/75/711881675.db2.gz BHZNLUNPSTVYSA-LLVKDONJSA-N 1 0 247.313 3.620 20 0 BHADRO Cc1ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)o1 ZINC000921068811 711881592 /nfs/dbraw/zinc/88/15/92/711881592.db2.gz BHZNLUNPSTVYSA-NSHDSACASA-N 1 0 247.313 3.620 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921473169 642631337 /nfs/dbraw/zinc/63/13/37/642631337.db2.gz FZEPEBYKZYBLBH-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921473170 642631415 /nfs/dbraw/zinc/63/14/15/642631415.db2.gz FZEPEBYKZYBLBH-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921473204 642631446 /nfs/dbraw/zinc/63/14/46/642631446.db2.gz HJTPOCUXCLKPPP-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921473205 642630222 /nfs/dbraw/zinc/63/02/22/642630222.db2.gz HJTPOCUXCLKPPP-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921473486 642630662 /nfs/dbraw/zinc/63/06/62/642630662.db2.gz QRCLLRDOPBBAEH-CYBMUJFWSA-N 1 0 249.402 3.522 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921473487 642630049 /nfs/dbraw/zinc/63/00/49/642630049.db2.gz QRCLLRDOPBBAEH-ZDUSSCGKSA-N 1 0 249.402 3.522 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921473708 642632412 /nfs/dbraw/zinc/63/24/12/642632412.db2.gz YLIIZGRRCNEKKY-CYBMUJFWSA-N 1 0 249.402 3.667 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921473709 642633168 /nfs/dbraw/zinc/63/31/68/642633168.db2.gz YLIIZGRRCNEKKY-ZDUSSCGKSA-N 1 0 249.402 3.667 20 0 BHADRO Cc1cnc(Cl)c(C[NH2+]C(C)(C)C(C)C)c1 ZINC000921720681 643761574 /nfs/dbraw/zinc/76/15/74/643761574.db2.gz FZTCMBZTUVOQEF-UHFFFAOYSA-N 1 0 240.778 3.568 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921780308 643783168 /nfs/dbraw/zinc/78/31/68/643783168.db2.gz PYLMDQZGGKCEBX-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CCC(CC)(CC)[NH2+]Cc1ccnn1C1CCC1 ZINC000921781178 643783016 /nfs/dbraw/zinc/78/30/16/643783016.db2.gz WCSVSPGOXYTXST-UHFFFAOYSA-N 1 0 249.402 3.667 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921790183 643789509 /nfs/dbraw/zinc/78/95/09/643789509.db2.gz DJWDLZTYKZMBMG-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921790184 643789549 /nfs/dbraw/zinc/78/95/49/643789549.db2.gz DJWDLZTYKZMBMG-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921790185 643790102 /nfs/dbraw/zinc/79/01/02/643790102.db2.gz DJWDLZTYKZMBMG-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921790186 643790415 /nfs/dbraw/zinc/79/04/15/643790415.db2.gz DJWDLZTYKZMBMG-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921790240 643790387 /nfs/dbraw/zinc/79/03/87/643790387.db2.gz GCNUZXHDUYMJLW-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921790241 643790016 /nfs/dbraw/zinc/79/00/16/643790016.db2.gz GCNUZXHDUYMJLW-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921790242 643789741 /nfs/dbraw/zinc/78/97/41/643789741.db2.gz GCNUZXHDUYMJLW-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921790243 643790067 /nfs/dbraw/zinc/79/00/67/643790067.db2.gz GCNUZXHDUYMJLW-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000922130255 643866948 /nfs/dbraw/zinc/86/69/48/643866948.db2.gz ZLQHTLYFRJQAJI-NEPJUHHUSA-N 1 0 245.407 3.533 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000922130256 643867354 /nfs/dbraw/zinc/86/73/54/643867354.db2.gz ZLQHTLYFRJQAJI-NWDGAFQWSA-N 1 0 245.407 3.533 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000922130257 643868172 /nfs/dbraw/zinc/86/81/72/643868172.db2.gz ZLQHTLYFRJQAJI-RYUDHWBXSA-N 1 0 245.407 3.533 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000922130258 643867131 /nfs/dbraw/zinc/86/71/31/643867131.db2.gz ZLQHTLYFRJQAJI-VXGBXAGGSA-N 1 0 245.407 3.533 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922171214 643889345 /nfs/dbraw/zinc/88/93/45/643889345.db2.gz JNPANHYFBQTUDB-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922171215 643890080 /nfs/dbraw/zinc/89/00/80/643890080.db2.gz JNPANHYFBQTUDB-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922172666 643889415 /nfs/dbraw/zinc/88/94/15/643889415.db2.gz VMDPMXZSASXVCO-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922172668 643889235 /nfs/dbraw/zinc/88/92/35/643889235.db2.gz VMDPMXZSASXVCO-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000922185612 643896826 /nfs/dbraw/zinc/89/68/26/643896826.db2.gz NYZMWDOBQATJDW-FDYHWXHSSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000922185613 643896112 /nfs/dbraw/zinc/89/61/12/643896112.db2.gz NYZMWDOBQATJDW-UMSGYPCISA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000922185615 643896899 /nfs/dbraw/zinc/89/68/99/643896899.db2.gz NYZMWDOBQATJDW-WUHRBBMRSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000922185617 643896415 /nfs/dbraw/zinc/89/64/15/643896415.db2.gz NYZMWDOBQATJDW-YVECIDJPSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000922218938 643908687 /nfs/dbraw/zinc/90/86/87/643908687.db2.gz QDUYJBVTEFTLBA-CHWSQXEVSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000922218939 643908112 /nfs/dbraw/zinc/90/81/12/643908112.db2.gz QDUYJBVTEFTLBA-OLZOCXBDSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000922218940 643908432 /nfs/dbraw/zinc/90/84/32/643908432.db2.gz QDUYJBVTEFTLBA-QWHCGFSZSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000922218941 643909207 /nfs/dbraw/zinc/90/92/07/643909207.db2.gz QDUYJBVTEFTLBA-STQMWFEESA-N 1 0 239.428 3.583 20 0 BHADRO Cc1cnc(Cl)c(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000922221007 643909164 /nfs/dbraw/zinc/90/91/64/643909164.db2.gz FAFBEOPWKSRHCU-SNVBAGLBSA-N 1 0 240.778 3.568 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922239240 643911805 /nfs/dbraw/zinc/91/18/05/643911805.db2.gz OVMQUERLLAQOJD-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922239243 643912316 /nfs/dbraw/zinc/91/23/16/643912316.db2.gz OVMQUERLLAQOJD-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922239354 643911748 /nfs/dbraw/zinc/91/17/48/643911748.db2.gz QFJAQHSIYZBEHU-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922239356 643913243 /nfs/dbraw/zinc/91/32/43/643913243.db2.gz QFJAQHSIYZBEHU-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(C)(C)CC[NH2+]Cc1ccnn1C1CCC1 ZINC000922301446 643961477 /nfs/dbraw/zinc/96/14/77/643961477.db2.gz BWNIDNRUXDIHSM-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CCC(C)(C)CC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922301606 643960921 /nfs/dbraw/zinc/96/09/21/643960921.db2.gz DVZRMPXDJDPFOM-UHFFFAOYSA-N 1 0 249.402 3.524 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000922305128 643961064 /nfs/dbraw/zinc/96/10/64/643961064.db2.gz NYZMWDOBQATJDW-FVCCEPFGSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000922305130 643961490 /nfs/dbraw/zinc/96/14/90/643961490.db2.gz NYZMWDOBQATJDW-MROQNXINSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000922305131 643961002 /nfs/dbraw/zinc/96/10/02/643961002.db2.gz NYZMWDOBQATJDW-QNWHQSFQSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)C1 ZINC000922305132 643961257 /nfs/dbraw/zinc/96/12/57/643961257.db2.gz NYZMWDOBQATJDW-ZDEQEGDKSA-N 1 0 245.407 3.531 20 0 BHADRO CS[C@@H]1CCC[C@@H]([NH2+]C2(C3CC3)CCC2)C1 ZINC000922348141 643978405 /nfs/dbraw/zinc/97/84/05/643978405.db2.gz XRYIGMDKRSSVDR-CHWSQXEVSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CCC[C@@H]([NH2+]C2(C3CC3)CCC2)C1 ZINC000922348544 643978456 /nfs/dbraw/zinc/97/84/56/643978456.db2.gz XRYIGMDKRSSVDR-OLZOCXBDSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CCC[C@H]([NH2+]C2(C3CC3)CCC2)C1 ZINC000922348546 643978076 /nfs/dbraw/zinc/97/80/76/643978076.db2.gz XRYIGMDKRSSVDR-QWHCGFSZSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CCC[C@H]([NH2+]C2(C3CC3)CCC2)C1 ZINC000922348547 643978928 /nfs/dbraw/zinc/97/89/28/643978928.db2.gz XRYIGMDKRSSVDR-STQMWFEESA-N 1 0 239.428 3.583 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922584189 644034122 /nfs/dbraw/zinc/03/41/22/644034122.db2.gz DKRMPXVUWKXXBF-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922584190 644034245 /nfs/dbraw/zinc/03/42/45/644034245.db2.gz DKRMPXVUWKXXBF-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922585265 644036166 /nfs/dbraw/zinc/03/61/66/644036166.db2.gz RBZPWEMIUKSKCJ-DOMZBBRYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@@H](C)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922585268 644036375 /nfs/dbraw/zinc/03/63/75/644036375.db2.gz RBZPWEMIUKSKCJ-IUODEOHRSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922585270 644035347 /nfs/dbraw/zinc/03/53/47/644035347.db2.gz RBZPWEMIUKSKCJ-SWLSCSKDSA-N 1 0 232.371 3.559 20 0 BHADRO CCC[C@H](C)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922585273 644035651 /nfs/dbraw/zinc/03/56/51/644035651.db2.gz RBZPWEMIUKSKCJ-WFASDCNBSA-N 1 0 232.371 3.559 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2CCCCC2)C2CC2)nc1 ZINC000922585980 644035327 /nfs/dbraw/zinc/03/53/27/644035327.db2.gz SILMVTSLYYSSAR-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CC2CCCCC2)C2CC2)nc1 ZINC000922585981 644036291 /nfs/dbraw/zinc/03/62/91/644036291.db2.gz SILMVTSLYYSSAR-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000922644451 644049299 /nfs/dbraw/zinc/04/92/99/644049299.db2.gz IOZQKVFFRAWYIC-SREVYHEPSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000922644452 644048810 /nfs/dbraw/zinc/04/88/10/644048810.db2.gz IOZQKVFFRAWYIC-VOTSOKGWSA-N 1 0 248.757 3.789 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)/C=C\Cl)o1 ZINC000922645809 644051150 /nfs/dbraw/zinc/05/11/50/644051150.db2.gz WAXNEBILYGJDEL-SREVYHEPSA-N 1 0 245.775 3.622 20 0 BHADRO CSc1ccc(C[NH2+]C(C)(C)/C=C/Cl)o1 ZINC000922645810 644051263 /nfs/dbraw/zinc/05/12/63/644051263.db2.gz WAXNEBILYGJDEL-VOTSOKGWSA-N 1 0 245.775 3.622 20 0 BHADRO CC(C)(/C=C/Cl)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000922648249 644052745 /nfs/dbraw/zinc/05/27/45/644052745.db2.gz GCEBJEJLUMUVTH-BQYQJAHWSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C\Cl)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000922648250 644052866 /nfs/dbraw/zinc/05/28/66/644052866.db2.gz GCEBJEJLUMUVTH-FPLPWBNLSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C/Cl)[NH2+]Cc1cccc2[nH]ccc21 ZINC000922648468 644053530 /nfs/dbraw/zinc/05/35/30/644053530.db2.gz KQMVPJKWZFKMTF-BQYQJAHWSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C\Cl)[NH2+]Cc1cccc2[nH]ccc21 ZINC000922648469 644052586 /nfs/dbraw/zinc/05/25/86/644052586.db2.gz KQMVPJKWZFKMTF-FPLPWBNLSA-N 1 0 248.757 3.789 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C)/C=C/Cl ZINC000922648480 644052843 /nfs/dbraw/zinc/05/28/43/644052843.db2.gz LATSOPXPRZSNDR-AATRIKPKSA-N 1 0 229.776 3.677 20 0 BHADRO Cc1sccc1C[NH2+]C(C)(C)/C=C\Cl ZINC000922648481 644053212 /nfs/dbraw/zinc/05/32/12/644053212.db2.gz LATSOPXPRZSNDR-WAYWQWQTSA-N 1 0 229.776 3.677 20 0 BHADRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000922648533 644053414 /nfs/dbraw/zinc/05/34/14/644053414.db2.gz MYLGXABBPBXCLO-SREVYHEPSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000922648534 644053349 /nfs/dbraw/zinc/05/33/49/644053349.db2.gz MYLGXABBPBXCLO-VOTSOKGWSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C/Cl)[NH2+]Cc1cccc2cc[nH]c21 ZINC000922649800 644058455 /nfs/dbraw/zinc/05/84/55/644058455.db2.gz YGMOZFXJQUQDBF-BQYQJAHWSA-N 1 0 248.757 3.789 20 0 BHADRO CC(C)(/C=C\Cl)[NH2+]Cc1cccc2cc[nH]c21 ZINC000922649801 644057441 /nfs/dbraw/zinc/05/74/41/644057441.db2.gz YGMOZFXJQUQDBF-FPLPWBNLSA-N 1 0 248.757 3.789 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C)/C=C/Cl ZINC000922650198 644058164 /nfs/dbraw/zinc/05/81/64/644058164.db2.gz MZBGURKJRRLUNU-AATRIKPKSA-N 1 0 229.776 3.677 20 0 BHADRO Cc1ccsc1C[NH2+]C(C)(C)/C=C\Cl ZINC000922650200 644057412 /nfs/dbraw/zinc/05/74/12/644057412.db2.gz MZBGURKJRRLUNU-WAYWQWQTSA-N 1 0 229.776 3.677 20 0 BHADRO Cc1coc(C[NH2+][C@@H](C)c2ccc(F)cc2C)c1 ZINC000922664397 644064137 /nfs/dbraw/zinc/06/41/37/644064137.db2.gz AFWNIPPPUSFPBQ-LBPRGKRZSA-N 1 0 247.313 3.886 20 0 BHADRO Cc1coc(C[NH2+][C@H](C)c2ccc(F)cc2C)c1 ZINC000922666548 711975025 /nfs/dbraw/zinc/97/50/25/711975025.db2.gz AFWNIPPPUSFPBQ-GFCCVEGCSA-N 1 0 247.313 3.886 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)CCS1 ZINC000922837903 644114705 /nfs/dbraw/zinc/11/47/05/644114705.db2.gz QMHPTNWIPMOLEB-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)CCS1 ZINC000922837905 644115038 /nfs/dbraw/zinc/11/50/38/644115038.db2.gz QMHPTNWIPMOLEB-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)CCS1 ZINC000922838162 644114570 /nfs/dbraw/zinc/11/45/70/644114570.db2.gz QMHPTNWIPMOLEB-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)CCS1 ZINC000922838163 644114980 /nfs/dbraw/zinc/11/49/80/644114980.db2.gz QMHPTNWIPMOLEB-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C[NH2+][C@@H]2CCSC3(CCC3)C2)CCC1 ZINC000922839263 644118405 /nfs/dbraw/zinc/11/84/05/644118405.db2.gz CUHISILMVYWUFW-GFCCVEGCSA-N 1 0 239.428 3.585 20 0 BHADRO CC1(C[NH2+][C@H]2CCSC3(CCC3)C2)CCC1 ZINC000922839269 644118398 /nfs/dbraw/zinc/11/83/98/644118398.db2.gz CUHISILMVYWUFW-LBPRGKRZSA-N 1 0 239.428 3.585 20 0 BHADRO c1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1 ZINC000922842595 644116655 /nfs/dbraw/zinc/11/66/55/644116655.db2.gz NDUFMXVJINBPPA-AWEZNQCLSA-N 1 0 247.407 3.595 20 0 BHADRO c1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000922842596 644116970 /nfs/dbraw/zinc/11/69/70/644116970.db2.gz NDUFMXVJINBPPA-CQSZACIVSA-N 1 0 247.407 3.595 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CCCCCC2)CCS1 ZINC000922842845 644116831 /nfs/dbraw/zinc/11/68/31/644116831.db2.gz NPFUAMFTVRJGOC-AAEUAGOBSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CCS1 ZINC000922842848 644116597 /nfs/dbraw/zinc/11/65/97/644116597.db2.gz NPFUAMFTVRJGOC-DGCLKSJQSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CCCCCC2)CCS1 ZINC000922842851 644117759 /nfs/dbraw/zinc/11/77/59/644117759.db2.gz NPFUAMFTVRJGOC-WCQYABFASA-N 1 0 227.417 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CCS1 ZINC000922842854 644118485 /nfs/dbraw/zinc/11/84/85/644118485.db2.gz NPFUAMFTVRJGOC-YPMHNXCESA-N 1 0 227.417 3.583 20 0 BHADRO C1CC2(C1)C[C@H]([NH2+]C1CCCCC1)CCS2 ZINC000922843288 644118483 /nfs/dbraw/zinc/11/84/83/644118483.db2.gz UITCIUCIVMNFJN-CYBMUJFWSA-N 1 0 239.428 3.727 20 0 BHADRO C1CC2(C1)C[C@@H]([NH2+]C1CCCCC1)CCS2 ZINC000922843289 644117856 /nfs/dbraw/zinc/11/78/56/644117856.db2.gz UITCIUCIVMNFJN-ZDUSSCGKSA-N 1 0 239.428 3.727 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC000922844139 644118129 /nfs/dbraw/zinc/11/81/29/644118129.db2.gz AAOGXHYZESDQHU-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC000922844140 644118199 /nfs/dbraw/zinc/11/81/99/644118199.db2.gz AAOGXHYZESDQHU-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC000922844141 644117962 /nfs/dbraw/zinc/11/79/62/644117962.db2.gz AAOGXHYZESDQHU-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC000922844142 644117804 /nfs/dbraw/zinc/11/78/04/644117804.db2.gz AAOGXHYZESDQHU-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)CCS1 ZINC000922844357 644118302 /nfs/dbraw/zinc/11/83/02/644118302.db2.gz WLMYFCQYNOJONM-DBVFPWQWSA-N 1 0 247.407 3.574 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)CCS1 ZINC000922844358 644117631 /nfs/dbraw/zinc/11/76/31/644117631.db2.gz WLMYFCQYNOJONM-IEOKHJKGSA-N 1 0 247.407 3.574 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)CCS1 ZINC000922844360 644117673 /nfs/dbraw/zinc/11/76/73/644117673.db2.gz WLMYFCQYNOJONM-JGOVJGDKSA-N 1 0 247.407 3.574 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)CCS1 ZINC000922844361 644118106 /nfs/dbraw/zinc/11/81/06/644118106.db2.gz WLMYFCQYNOJONM-VZFGUZNESA-N 1 0 247.407 3.574 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922844914 644119384 /nfs/dbraw/zinc/11/93/84/644119384.db2.gz IMEFBOJBLIXRHA-CHWSQXEVSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922844919 644119114 /nfs/dbraw/zinc/11/91/14/644119114.db2.gz IMEFBOJBLIXRHA-OLZOCXBDSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922844921 644119093 /nfs/dbraw/zinc/11/90/93/644119093.db2.gz IMEFBOJBLIXRHA-QWHCGFSZSA-N 1 0 241.444 3.829 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922844923 644119702 /nfs/dbraw/zinc/11/97/02/644119702.db2.gz IMEFBOJBLIXRHA-STQMWFEESA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845566 644119046 /nfs/dbraw/zinc/11/90/46/644119046.db2.gz NWUUEPDXMMXMJN-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845567 644119471 /nfs/dbraw/zinc/11/94/71/644119471.db2.gz NWUUEPDXMMXMJN-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845569 644120136 /nfs/dbraw/zinc/12/01/36/644120136.db2.gz NWUUEPDXMMXMJN-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845570 644120071 /nfs/dbraw/zinc/12/00/71/644120071.db2.gz NWUUEPDXMMXMJN-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1cncc(F)c1 ZINC000922966768 644202984 /nfs/dbraw/zinc/20/29/84/644202984.db2.gz XPSLEHPPSCWIKK-GFCCVEGCSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1cncc(F)c1 ZINC000922966769 644202152 /nfs/dbraw/zinc/20/21/52/644202152.db2.gz XPSLEHPPSCWIKK-LBPRGKRZSA-N 1 0 248.345 3.618 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@]23C[C@H]2CCC3)cc1F ZINC000923022995 644235173 /nfs/dbraw/zinc/23/51/73/644235173.db2.gz GTGBHQSDLYGREB-FKZRYSJHSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@]23C[C@H]2CCC3)cc1F ZINC000923022996 644235656 /nfs/dbraw/zinc/23/56/56/644235656.db2.gz GTGBHQSDLYGREB-QADGWQRPSA-N 1 0 249.304 3.510 20 0 BHADRO C/C(=C/c1ccccc1)C[NH2+][C@]12C[C@H]1CCC2 ZINC000923023129 644235039 /nfs/dbraw/zinc/23/50/39/644235039.db2.gz JVBNKDLWSWATLB-JYGGGOIPSA-N 1 0 227.351 3.622 20 0 BHADRO C/C(=C\c1ccccc1)C[NH2+][C@]12C[C@H]1CCC2 ZINC000923023130 644235222 /nfs/dbraw/zinc/23/52/22/644235222.db2.gz JVBNKDLWSWATLB-ROCUKZSVSA-N 1 0 227.351 3.622 20 0 BHADRO Fc1ccc(/C=C/C[NH2+][C@]23C[C@H]2CCC3)c(F)c1 ZINC000923023205 644235721 /nfs/dbraw/zinc/23/57/21/644235721.db2.gz RAUOHCHWAMRWRT-FKZRYSJHSA-N 1 0 249.304 3.510 20 0 BHADRO Fc1ccc(/C=C\C[NH2+][C@]23C[C@H]2CCC3)c(F)c1 ZINC000923023206 644235367 /nfs/dbraw/zinc/23/53/67/644235367.db2.gz RAUOHCHWAMRWRT-QADGWQRPSA-N 1 0 249.304 3.510 20 0 BHADRO CCOCCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000924524209 646045837 /nfs/dbraw/zinc/04/58/37/646045837.db2.gz GKRVTRMJGRAKSS-GFCCVEGCSA-N 1 0 247.338 3.510 20 0 BHADRO CCOCCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924524210 646045977 /nfs/dbraw/zinc/04/59/77/646045977.db2.gz GKRVTRMJGRAKSS-LBPRGKRZSA-N 1 0 247.338 3.510 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C ZINC000924525378 646046786 /nfs/dbraw/zinc/04/67/86/646046786.db2.gz FVRBVYWDHSRBGH-DRZSPHRISA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C ZINC000924525684 646046188 /nfs/dbraw/zinc/04/61/88/646046188.db2.gz FVRBVYWDHSRBGH-RTXFEEFZSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C ZINC000924525685 646045563 /nfs/dbraw/zinc/04/55/63/646045563.db2.gz FVRBVYWDHSRBGH-UHTWSYAYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C ZINC000924525688 646045349 /nfs/dbraw/zinc/04/53/49/646045349.db2.gz FVRBVYWDHSRBGH-WXHSDQCUSA-N 1 0 248.370 3.529 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924528939 632703800 /nfs/dbraw/zinc/70/38/00/632703800.db2.gz RBIOCUYZELZBGT-BXKDBHETSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924528947 632703637 /nfs/dbraw/zinc/70/36/37/632703637.db2.gz RBIOCUYZELZBGT-CABZTGNLSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924528954 632705836 /nfs/dbraw/zinc/70/58/36/632705836.db2.gz RBIOCUYZELZBGT-JOYOIKCWSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924528961 632705724 /nfs/dbraw/zinc/70/57/24/632705724.db2.gz RBIOCUYZELZBGT-SKDRFNHKSA-N 1 0 238.762 3.501 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924529204 646050171 /nfs/dbraw/zinc/05/01/71/646050171.db2.gz TYLPTTHULPKKGI-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924529206 646051302 /nfs/dbraw/zinc/05/13/02/646051302.db2.gz TYLPTTHULPKKGI-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924529207 646050698 /nfs/dbraw/zinc/05/06/98/646050698.db2.gz TYLPTTHULPKKGI-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924529209 646049806 /nfs/dbraw/zinc/04/98/06/646049806.db2.gz TYLPTTHULPKKGI-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924529827 646051190 /nfs/dbraw/zinc/05/11/90/646051190.db2.gz XYZJDHINGVRGNS-CHWSQXEVSA-N 1 0 249.398 3.753 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924529831 646050039 /nfs/dbraw/zinc/05/00/39/646050039.db2.gz XYZJDHINGVRGNS-OLZOCXBDSA-N 1 0 249.398 3.753 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924529834 646051326 /nfs/dbraw/zinc/05/13/26/646051326.db2.gz XYZJDHINGVRGNS-QWHCGFSZSA-N 1 0 249.398 3.753 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924529836 646050079 /nfs/dbraw/zinc/05/00/79/646050079.db2.gz XYZJDHINGVRGNS-STQMWFEESA-N 1 0 249.398 3.753 20 0 BHADRO C[C@H]([NH2+]C1CC1)c1csc(C(F)(F)F)c1 ZINC000924530543 632716810 /nfs/dbraw/zinc/71/68/10/632716810.db2.gz HSGNUYLPELMRBY-LURJTMIESA-N 1 0 235.274 3.580 20 0 BHADRO C[C@@H]([NH2+]C1CC1)c1csc(C(F)(F)F)c1 ZINC000924530544 632716688 /nfs/dbraw/zinc/71/66/88/632716688.db2.gz HSGNUYLPELMRBY-ZCFIWIBFSA-N 1 0 235.274 3.580 20 0 BHADRO Cc1oc2ccccc2c1[C@@H](C)[NH2+]C1CC1 ZINC000924530977 632727625 /nfs/dbraw/zinc/72/76/25/632727625.db2.gz KBUXAOKXXOAPQP-SECBINFHSA-N 1 0 215.296 3.554 20 0 BHADRO Cc1oc2ccccc2c1[C@H](C)[NH2+]C1CC1 ZINC000924530993 632727631 /nfs/dbraw/zinc/72/76/31/632727631.db2.gz KBUXAOKXXOAPQP-VIFPVBQESA-N 1 0 215.296 3.554 20 0 BHADRO CCCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924531129 632728539 /nfs/dbraw/zinc/72/85/39/632728539.db2.gz IREXLJNKIWEAQW-GFCCVEGCSA-N 1 0 244.338 3.792 20 0 BHADRO CCCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924531130 632728566 /nfs/dbraw/zinc/72/85/66/632728566.db2.gz IREXLJNKIWEAQW-LBPRGKRZSA-N 1 0 244.338 3.792 20 0 BHADRO CCCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924532343 646052297 /nfs/dbraw/zinc/05/22/97/646052297.db2.gz UVZDMPBJJGOHMW-GFCCVEGCSA-N 1 0 238.762 3.502 20 0 BHADRO CCCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924532345 646052988 /nfs/dbraw/zinc/05/29/88/646052988.db2.gz UVZDMPBJJGOHMW-LBPRGKRZSA-N 1 0 238.762 3.502 20 0 BHADRO CC(C)C[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924532579 646052317 /nfs/dbraw/zinc/05/23/17/646052317.db2.gz WGADGVUBJKIXLD-GFCCVEGCSA-N 1 0 244.338 3.648 20 0 BHADRO CC(C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924532581 646052841 /nfs/dbraw/zinc/05/28/41/646052841.db2.gz WGADGVUBJKIXLD-LBPRGKRZSA-N 1 0 244.338 3.648 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1cc2ccccc2[nH]1 ZINC000924533712 646053604 /nfs/dbraw/zinc/05/36/04/646053604.db2.gz FKJYRSCYRGQVQO-LLVKDONJSA-N 1 0 228.339 3.761 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1cc2ccccc2[nH]1 ZINC000924533713 646052352 /nfs/dbraw/zinc/05/23/52/646052352.db2.gz FKJYRSCYRGQVQO-NSHDSACASA-N 1 0 228.339 3.761 20 0 BHADRO C[C@@H]([NH2+]C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924534152 646053425 /nfs/dbraw/zinc/05/34/25/646053425.db2.gz JXPVBZIBBAIHPS-GFCCVEGCSA-N 1 0 247.382 3.507 20 0 BHADRO C[C@H]([NH2+]C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924534153 646052462 /nfs/dbraw/zinc/05/24/62/646052462.db2.gz JXPVBZIBBAIHPS-LBPRGKRZSA-N 1 0 247.382 3.507 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924534549 646053486 /nfs/dbraw/zinc/05/34/86/646053486.db2.gz MLRPQVRTEUXVSM-GFCCVEGCSA-N 1 0 249.398 3.753 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924534550 646053387 /nfs/dbraw/zinc/05/33/87/646053387.db2.gz MLRPQVRTEUXVSM-LBPRGKRZSA-N 1 0 249.398 3.753 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000924534685 632761584 /nfs/dbraw/zinc/76/15/84/632761584.db2.gz HRDBQSOYJLCKTF-CYBMUJFWSA-N 1 0 248.370 3.673 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000924534686 632762003 /nfs/dbraw/zinc/76/20/03/632762003.db2.gz HRDBQSOYJLCKTF-ZDUSSCGKSA-N 1 0 248.370 3.673 20 0 BHADRO CCC(CC)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924534843 646052459 /nfs/dbraw/zinc/05/24/59/646052459.db2.gz NNBRPHJMNMHQPH-GFCCVEGCSA-N 1 0 249.402 3.522 20 0 BHADRO CCC(CC)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924534845 646053294 /nfs/dbraw/zinc/05/32/94/646053294.db2.gz NNBRPHJMNMHQPH-LBPRGKRZSA-N 1 0 249.402 3.522 20 0 BHADRO CCCCC[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924535601 632763890 /nfs/dbraw/zinc/76/38/90/632763890.db2.gz NFNHPJCWXBXVRE-DNDYEEKYSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924535607 632763910 /nfs/dbraw/zinc/76/39/10/632763910.db2.gz NFNHPJCWXBXVRE-HESLUPGFSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CCCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000924536900 646055083 /nfs/dbraw/zinc/05/50/83/646055083.db2.gz USYMSGPJSVWYPQ-AWEZNQCLSA-N 1 0 249.402 3.734 20 0 BHADRO CC(C)CCCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000924536901 646055737 /nfs/dbraw/zinc/05/57/37/646055737.db2.gz USYMSGPJSVWYPQ-CQSZACIVSA-N 1 0 249.402 3.734 20 0 BHADRO CCCCCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924537942 646057339 /nfs/dbraw/zinc/05/73/39/646057339.db2.gz DBSJBYLZNLFMBZ-UHFFFAOYSA-N 1 0 239.403 3.504 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924537987 646057169 /nfs/dbraw/zinc/05/71/69/646057169.db2.gz PZQFZUNIHLOPGS-NEPJUHHUSA-N 1 0 244.338 3.791 20 0 BHADRO CC[C@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924537989 646056534 /nfs/dbraw/zinc/05/65/34/646056534.db2.gz PZQFZUNIHLOPGS-NWDGAFQWSA-N 1 0 244.338 3.791 20 0 BHADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924537990 646056414 /nfs/dbraw/zinc/05/64/14/646056414.db2.gz PZQFZUNIHLOPGS-RYUDHWBXSA-N 1 0 244.338 3.791 20 0 BHADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924537992 646058366 /nfs/dbraw/zinc/05/83/66/646058366.db2.gz PZQFZUNIHLOPGS-VXGBXAGGSA-N 1 0 244.338 3.791 20 0 BHADRO CC(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924538186 646056344 /nfs/dbraw/zinc/05/63/44/646056344.db2.gz GJCUMUOEKDEFIE-CYBMUJFWSA-N 1 0 249.398 3.611 20 0 BHADRO CC(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924538187 646057836 /nfs/dbraw/zinc/05/78/36/646057836.db2.gz GJCUMUOEKDEFIE-ZDUSSCGKSA-N 1 0 249.398 3.611 20 0 BHADRO CCCCCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000924538665 646057427 /nfs/dbraw/zinc/05/74/27/646057427.db2.gz LJYOZKMNHFVPEC-GFCCVEGCSA-N 1 0 236.359 3.530 20 0 BHADRO CCCCCC[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000924538666 646057930 /nfs/dbraw/zinc/05/79/30/646057930.db2.gz LJYOZKMNHFVPEC-LBPRGKRZSA-N 1 0 236.359 3.530 20 0 BHADRO CC(C)[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924539194 646059733 /nfs/dbraw/zinc/05/97/33/646059733.db2.gz IQDBAUOPJAHKNO-SSDOTTSWSA-N 1 0 237.290 3.826 20 0 BHADRO CC(C)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924539196 646059691 /nfs/dbraw/zinc/05/96/91/646059691.db2.gz IQDBAUOPJAHKNO-ZETCQYMHSA-N 1 0 237.290 3.826 20 0 BHADRO CC[C@@H](C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924540188 646059837 /nfs/dbraw/zinc/05/98/37/646059837.db2.gz CTCMYGGLZAVWEA-BXKDBHETSA-N 1 0 238.762 3.501 20 0 BHADRO CC[C@H](C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924540189 646058834 /nfs/dbraw/zinc/05/88/34/646058834.db2.gz CTCMYGGLZAVWEA-CABZTGNLSA-N 1 0 238.762 3.501 20 0 BHADRO CC[C@H](C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924540190 632783365 /nfs/dbraw/zinc/78/33/65/632783365.db2.gz CTCMYGGLZAVWEA-JOYOIKCWSA-N 1 0 238.762 3.501 20 0 BHADRO CC[C@@H](C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924540191 632783066 /nfs/dbraw/zinc/78/30/66/632783066.db2.gz CTCMYGGLZAVWEA-SKDRFNHKSA-N 1 0 238.762 3.501 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924540503 646060391 /nfs/dbraw/zinc/06/03/91/646060391.db2.gz WJXMZJCHXYZVIB-CYBMUJFWSA-N 1 0 249.402 3.839 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924540505 646059625 /nfs/dbraw/zinc/05/96/25/646059625.db2.gz WJXMZJCHXYZVIB-ZDUSSCGKSA-N 1 0 249.402 3.839 20 0 BHADRO CCCCCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924540532 632787657 /nfs/dbraw/zinc/78/76/57/632787657.db2.gz WTJZQYLGWXRZES-CYBMUJFWSA-N 1 0 249.402 3.839 20 0 BHADRO CCCCCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924540534 632786582 /nfs/dbraw/zinc/78/65/82/632786582.db2.gz WTJZQYLGWXRZES-ZDUSSCGKSA-N 1 0 249.402 3.839 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CCCCC1 ZINC000924540906 632785009 /nfs/dbraw/zinc/78/50/09/632785009.db2.gz ZZQWQXWKGNDQHO-CYBMUJFWSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CCCCC1 ZINC000924540907 632784349 /nfs/dbraw/zinc/78/43/49/632784349.db2.gz ZZQWQXWKGNDQHO-ZDUSSCGKSA-N 1 0 248.370 3.530 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1ccnn1C1CCC1 ZINC000924542828 646062365 /nfs/dbraw/zinc/06/23/65/646062365.db2.gz OMXQVQPXXQALDG-GFCCVEGCSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1ccnn1C1CCC1 ZINC000924542830 646061187 /nfs/dbraw/zinc/06/11/87/646061187.db2.gz OMXQVQPXXQALDG-LBPRGKRZSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@@H]([NH2+]C1CCCCC1)c1cnn(C2CCC2)c1 ZINC000924543179 632796383 /nfs/dbraw/zinc/79/63/83/632796383.db2.gz QFGJHJHGAJXABA-GFCCVEGCSA-N 1 0 247.386 3.591 20 0 BHADRO C[C@H]([NH2+]C1CCCCC1)c1cnn(C2CCC2)c1 ZINC000924543181 632796032 /nfs/dbraw/zinc/79/60/32/632796032.db2.gz QFGJHJHGAJXABA-LBPRGKRZSA-N 1 0 247.386 3.591 20 0 BHADRO CCCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924544991 646063008 /nfs/dbraw/zinc/06/30/08/646063008.db2.gz XRHRBLYMHHDEOH-GFCCVEGCSA-N 1 0 238.762 3.502 20 0 BHADRO CCCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924544993 646064789 /nfs/dbraw/zinc/06/47/89/646064789.db2.gz XRHRBLYMHHDEOH-LBPRGKRZSA-N 1 0 238.762 3.502 20 0 BHADRO Cc1cccc2c1[C@@H]([NH2+]Cc1cccs1)CC2 ZINC000924558025 632842506 /nfs/dbraw/zinc/84/25/06/632842506.db2.gz XXDVOSJZPNPNDX-AWEZNQCLSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1cccc2c1[C@H]([NH2+]Cc1cccs1)CC2 ZINC000924558026 632842114 /nfs/dbraw/zinc/84/21/14/632842114.db2.gz XXDVOSJZPNPNDX-CQSZACIVSA-N 1 0 243.375 3.834 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924568415 646071189 /nfs/dbraw/zinc/07/11/89/646071189.db2.gz BXZAIUWTJPTINR-CHWSQXEVSA-N 1 0 249.398 3.609 20 0 BHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924568416 646071646 /nfs/dbraw/zinc/07/16/46/646071646.db2.gz BXZAIUWTJPTINR-OLZOCXBDSA-N 1 0 249.398 3.609 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924568417 646070643 /nfs/dbraw/zinc/07/06/43/646070643.db2.gz BXZAIUWTJPTINR-QWHCGFSZSA-N 1 0 249.398 3.609 20 0 BHADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924568419 646070360 /nfs/dbraw/zinc/07/03/60/646070360.db2.gz BXZAIUWTJPTINR-STQMWFEESA-N 1 0 249.398 3.609 20 0 BHADRO CC[NH2+][C@H](C)c1cc2ccccc2c(OC)c1 ZINC000924571581 646070140 /nfs/dbraw/zinc/07/01/40/646070140.db2.gz WBMUVTBHIPDQSD-LLVKDONJSA-N 1 0 229.323 3.519 20 0 BHADRO CC[NH2+][C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000924571582 646070670 /nfs/dbraw/zinc/07/06/70/646070670.db2.gz WBMUVTBHIPDQSD-NSHDSACASA-N 1 0 229.323 3.519 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924602660 646074381 /nfs/dbraw/zinc/07/43/81/646074381.db2.gz CUZQSGZKNJQPAN-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924602661 646075221 /nfs/dbraw/zinc/07/52/21/646075221.db2.gz CUZQSGZKNJQPAN-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)CCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924603138 633219518 /nfs/dbraw/zinc/21/95/18/633219518.db2.gz HTNKFRPUJWNKJL-CYBMUJFWSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)CCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924603142 633219722 /nfs/dbraw/zinc/21/97/22/633219722.db2.gz HTNKFRPUJWNKJL-ZDUSSCGKSA-N 1 0 249.402 3.695 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCC1CCCC1 ZINC000924603267 646075721 /nfs/dbraw/zinc/07/57/21/646075721.db2.gz GSPUYHCNCOOCCP-CYBMUJFWSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCC1CCCC1 ZINC000924603270 646075206 /nfs/dbraw/zinc/07/52/06/646075206.db2.gz GSPUYHCNCOOCCP-ZDUSSCGKSA-N 1 0 248.370 3.530 20 0 BHADRO C[C@H](Cc1ccco1)[NH2+]C1CC2(C1)CCCC2 ZINC000924610865 646077362 /nfs/dbraw/zinc/07/73/62/646077362.db2.gz VMKGMSRTYGPFSY-GFCCVEGCSA-N 1 0 233.355 3.523 20 0 BHADRO C[C@@H](Cc1ccco1)[NH2+]C1CC2(C1)CCCC2 ZINC000924610866 646077747 /nfs/dbraw/zinc/07/77/47/646077747.db2.gz VMKGMSRTYGPFSY-LBPRGKRZSA-N 1 0 233.355 3.523 20 0 BHADRO CCC[C@@H]([NH2+]CC1CC1)c1ncccc1Cl ZINC000924627708 646080899 /nfs/dbraw/zinc/08/08/99/646080899.db2.gz CPONHXGVSVMEBV-GFCCVEGCSA-N 1 0 238.762 3.576 20 0 BHADRO CCC[C@H]([NH2+]CC1CC1)c1ncccc1Cl ZINC000924627709 646081888 /nfs/dbraw/zinc/08/18/88/646081888.db2.gz CPONHXGVSVMEBV-LBPRGKRZSA-N 1 0 238.762 3.576 20 0 BHADRO C[C@@H]([NH2+]CC1CC1)c1csc(C(F)(F)F)c1 ZINC000924627765 646081188 /nfs/dbraw/zinc/08/11/88/646081188.db2.gz DGPUIPOMXWUMNV-SSDOTTSWSA-N 1 0 249.301 3.828 20 0 BHADRO C[C@H]([NH2+]CC1CC1)c1csc(C(F)(F)F)c1 ZINC000924627770 646082235 /nfs/dbraw/zinc/08/22/35/646082235.db2.gz DGPUIPOMXWUMNV-ZETCQYMHSA-N 1 0 249.301 3.828 20 0 BHADRO Cc1cccc2c1[C@@H]([NH2+]Cc1ccsc1)CC2 ZINC000924666251 646088279 /nfs/dbraw/zinc/08/82/79/646088279.db2.gz VMNAEXIWRXZMNP-AWEZNQCLSA-N 1 0 243.375 3.834 20 0 BHADRO Cc1cccc2c1[C@H]([NH2+]Cc1ccsc1)CC2 ZINC000924666252 646088667 /nfs/dbraw/zinc/08/86/67/646088667.db2.gz VMNAEXIWRXZMNP-CQSZACIVSA-N 1 0 243.375 3.834 20 0 BHADRO COCCCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000924683234 646091684 /nfs/dbraw/zinc/09/16/84/646091684.db2.gz FFLBNWRFRJNTDZ-GFCCVEGCSA-N 1 0 247.338 3.510 20 0 BHADRO COCCCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924683239 646091125 /nfs/dbraw/zinc/09/11/25/646091125.db2.gz FFLBNWRFRJNTDZ-LBPRGKRZSA-N 1 0 247.338 3.510 20 0 BHADRO CC(C)C(C(C)C)[C@@H](C)[NH2+]Cc1nccs1 ZINC000924727294 646097367 /nfs/dbraw/zinc/09/73/67/646097367.db2.gz DUGCLHHAOOYYOV-LLVKDONJSA-N 1 0 240.416 3.549 20 0 BHADRO CC(C)C(C(C)C)[C@H](C)[NH2+]Cc1nccs1 ZINC000924727295 646097924 /nfs/dbraw/zinc/09/79/24/646097924.db2.gz DUGCLHHAOOYYOV-NSHDSACASA-N 1 0 240.416 3.549 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924773016 646104749 /nfs/dbraw/zinc/10/47/49/646104749.db2.gz HIIOTRZAYHNXPU-AVGNSLFASA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924773017 646104014 /nfs/dbraw/zinc/10/40/14/646104014.db2.gz HIIOTRZAYHNXPU-RWMBFGLXSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924773018 646104950 /nfs/dbraw/zinc/10/49/50/646104950.db2.gz HIIOTRZAYHNXPU-XQQFMLRXSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924773019 646104437 /nfs/dbraw/zinc/10/44/37/646104437.db2.gz HIIOTRZAYHNXPU-YNEHKIRRSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924773449 637177491 /nfs/dbraw/zinc/17/74/91/637177491.db2.gz KYXSOGOYTTZBGB-AVGNSLFASA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924773450 637177454 /nfs/dbraw/zinc/17/74/54/637177454.db2.gz KYXSOGOYTTZBGB-RWMBFGLXSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924773451 637177191 /nfs/dbraw/zinc/17/71/91/637177191.db2.gz KYXSOGOYTTZBGB-XQQFMLRXSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924773452 637177140 /nfs/dbraw/zinc/17/71/40/637177140.db2.gz KYXSOGOYTTZBGB-YNEHKIRRSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccnn1C1CCC1 ZINC000924790660 646106493 /nfs/dbraw/zinc/10/64/93/646106493.db2.gz CMBXNPXDMKCLPC-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccnn1C1CCC1 ZINC000924790662 646106660 /nfs/dbraw/zinc/10/66/60/646106660.db2.gz CMBXNPXDMKCLPC-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924791328 646108541 /nfs/dbraw/zinc/10/85/41/646108541.db2.gz IAOLYHMITILIBQ-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924791329 646109129 /nfs/dbraw/zinc/10/91/29/646109129.db2.gz IAOLYHMITILIBQ-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H](C)C1 ZINC000924793272 637388167 /nfs/dbraw/zinc/38/81/67/637388167.db2.gz GYWLCDZOPUCANH-DRZSPHRISA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000924793273 637388265 /nfs/dbraw/zinc/38/82/65/637388265.db2.gz GYWLCDZOPUCANH-RTXFEEFZSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000924793426 637388226 /nfs/dbraw/zinc/38/82/26/637388226.db2.gz GYWLCDZOPUCANH-UHTWSYAYSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000924793436 637388137 /nfs/dbraw/zinc/38/81/37/637388137.db2.gz GYWLCDZOPUCANH-WXHSDQCUSA-N 1 0 248.370 3.529 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)C(C)C ZINC000924801518 646109930 /nfs/dbraw/zinc/10/99/30/646109930.db2.gz XVJQILZDESSVJP-GXTWGEPZSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)C(C)C ZINC000924801520 646109996 /nfs/dbraw/zinc/10/99/96/646109996.db2.gz XVJQILZDESSVJP-JSGCOSHPSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ccnn1C1CCC1)C(C)C ZINC000924801521 646110894 /nfs/dbraw/zinc/11/08/94/646110894.db2.gz XVJQILZDESSVJP-OCCSQVGLSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ccnn1C1CCC1)C(C)C ZINC000924801523 646110422 /nfs/dbraw/zinc/11/04/22/646110422.db2.gz XVJQILZDESSVJP-TZMCWYRMSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)C(C)C ZINC000924801659 637522831 /nfs/dbraw/zinc/52/28/31/637522831.db2.gz YSGXXOJRZFVYSW-DOMZBBRYSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)C(C)C ZINC000924801663 637524603 /nfs/dbraw/zinc/52/46/03/637524603.db2.gz YSGXXOJRZFVYSW-IUODEOHRSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)C(C)C ZINC000924801665 637523650 /nfs/dbraw/zinc/52/36/50/637523650.db2.gz YSGXXOJRZFVYSW-SWLSCSKDSA-N 1 0 249.402 3.693 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)C(C)C ZINC000924801669 637524601 /nfs/dbraw/zinc/52/46/01/637524601.db2.gz YSGXXOJRZFVYSW-WFASDCNBSA-N 1 0 249.402 3.693 20 0 BHADRO Cc1occc1C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000924824304 646113571 /nfs/dbraw/zinc/11/35/71/646113571.db2.gz FYXKYNRBGWKXSK-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1occc1C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000924824307 646113187 /nfs/dbraw/zinc/11/31/87/646113187.db2.gz FYXKYNRBGWKXSK-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO C[C@@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)C1CC1 ZINC000924829431 646114394 /nfs/dbraw/zinc/11/43/94/646114394.db2.gz UIHONJBKIQZCNS-BLLLJJGKSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H](C[NH2+][C@H](c1ccccn1)C1CCC1)C1CC1 ZINC000924829433 646115479 /nfs/dbraw/zinc/11/54/79/646115479.db2.gz UIHONJBKIQZCNS-LRDDRELGSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)C1CC1 ZINC000924829435 646114564 /nfs/dbraw/zinc/11/45/64/646114564.db2.gz UIHONJBKIQZCNS-MLGOLLRUSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H](C[NH2+][C@H](c1ccccn1)C1CCC1)C1CC1 ZINC000924829436 646114068 /nfs/dbraw/zinc/11/40/68/646114068.db2.gz UIHONJBKIQZCNS-WBMJQRKESA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)C(C(C)C)[C@@H](C)[NH2+]Cc1cscn1 ZINC000924873255 646123418 /nfs/dbraw/zinc/12/34/18/646123418.db2.gz QYKHMGQBWVULCE-LLVKDONJSA-N 1 0 240.416 3.549 20 0 BHADRO CC(C)C(C(C)C)[C@H](C)[NH2+]Cc1cscn1 ZINC000924873256 646123016 /nfs/dbraw/zinc/12/30/16/646123016.db2.gz QYKHMGQBWVULCE-NSHDSACASA-N 1 0 240.416 3.549 20 0 BHADRO COCC[C@@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000924891263 646126616 /nfs/dbraw/zinc/12/66/16/646126616.db2.gz OWYIAOJHRPARLU-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000924891264 646126634 /nfs/dbraw/zinc/12/66/34/646126634.db2.gz OWYIAOJHRPARLU-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@H](C)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924891265 646125644 /nfs/dbraw/zinc/12/56/44/646125644.db2.gz OWYIAOJHRPARLU-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO COCC[C@@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000924891266 646125129 /nfs/dbraw/zinc/12/51/29/646125129.db2.gz OWYIAOJHRPARLU-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H]([NH2+][C@@H](C)c1ncco1)C1CCCCC1 ZINC000924897998 646127463 /nfs/dbraw/zinc/12/74/63/646127463.db2.gz RIXXASIXGPGCEJ-AAEUAGOBSA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@H](C)c1ncco1)C1CCCCC1 ZINC000924897999 646128487 /nfs/dbraw/zinc/12/84/87/646128487.db2.gz RIXXASIXGPGCEJ-DGCLKSJQSA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@@H]([NH2+][C@@H](C)c1ncco1)C1CCCCC1 ZINC000924898000 646127853 /nfs/dbraw/zinc/12/78/53/646127853.db2.gz RIXXASIXGPGCEJ-WCQYABFASA-N 1 0 236.359 3.684 20 0 BHADRO CC[C@H]([NH2+][C@H](C)c1ncco1)C1CCCCC1 ZINC000924898001 646129034 /nfs/dbraw/zinc/12/90/34/646129034.db2.gz RIXXASIXGPGCEJ-YPMHNXCESA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000924934006 635780922 /nfs/dbraw/zinc/78/09/22/635780922.db2.gz VOWWWYCDLWXZSK-JHJVBQTASA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ncco1 ZINC000924934007 635781050 /nfs/dbraw/zinc/78/10/50/635781050.db2.gz VOWWWYCDLWXZSK-UPJWGTAASA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924934008 635780910 /nfs/dbraw/zinc/78/09/10/635780910.db2.gz VOWWWYCDLWXZSK-XQQFMLRXSA-N 1 0 236.359 3.684 20 0 BHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924934009 635780947 /nfs/dbraw/zinc/78/09/47/635780947.db2.gz VOWWWYCDLWXZSK-YNEHKIRRSA-N 1 0 236.359 3.684 20 0 BHADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924939951 646134317 /nfs/dbraw/zinc/13/43/17/646134317.db2.gz HWCGRFRIOSFBSJ-AVGNSLFASA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924939956 646134179 /nfs/dbraw/zinc/13/41/79/646134179.db2.gz HWCGRFRIOSFBSJ-RWMBFGLXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924939961 646135684 /nfs/dbraw/zinc/13/56/84/646135684.db2.gz HWCGRFRIOSFBSJ-XQQFMLRXSA-N 1 0 236.359 3.540 20 0 BHADRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000924939963 646134409 /nfs/dbraw/zinc/13/44/09/646134409.db2.gz HWCGRFRIOSFBSJ-YNEHKIRRSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)c1ncco1 ZINC000924947392 646138287 /nfs/dbraw/zinc/13/82/87/646138287.db2.gz QZYCLWJFFDJHPO-LLVKDONJSA-N 1 0 224.348 3.542 20 0 BHADRO C[C@H]([NH2+]CCCCC(C)(C)C)c1ncco1 ZINC000924947394 646137373 /nfs/dbraw/zinc/13/73/73/646137373.db2.gz QZYCLWJFFDJHPO-NSHDSACASA-N 1 0 224.348 3.542 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ncccc1Cl ZINC000924949637 646138207 /nfs/dbraw/zinc/13/82/07/646138207.db2.gz JXVRSYWRZCMFMS-ADEWGFFLSA-N 1 0 238.762 3.574 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ncccc1Cl ZINC000924949653 646138279 /nfs/dbraw/zinc/13/82/79/646138279.db2.gz JXVRSYWRZCMFMS-DLOVCJGASA-N 1 0 238.762 3.574 20 0 BHADRO CCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ncccc1Cl ZINC000924949655 646137392 /nfs/dbraw/zinc/13/73/92/646137392.db2.gz JXVRSYWRZCMFMS-USWWRNFRSA-N 1 0 238.762 3.574 20 0 BHADRO CCC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ncccc1Cl ZINC000924949659 646138300 /nfs/dbraw/zinc/13/83/00/646138300.db2.gz JXVRSYWRZCMFMS-ZMLRMANQSA-N 1 0 238.762 3.574 20 0 BHADRO CCC1CCC(C[NH2+][C@@H](C)c2ncco2)CC1 ZINC000924955122 646141869 /nfs/dbraw/zinc/14/18/69/646141869.db2.gz MVYFYVMBVYUBSX-HIFPTAJRSA-N 1 0 236.359 3.542 20 0 BHADRO CCC1CCC(C[NH2+][C@H](C)c2ncco2)CC1 ZINC000924955125 646141691 /nfs/dbraw/zinc/14/16/91/646141691.db2.gz MVYFYVMBVYUBSX-PNESKVBLSA-N 1 0 236.359 3.542 20 0 BHADRO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C)no1 ZINC000924958332 635805772 /nfs/dbraw/zinc/80/57/72/635805772.db2.gz FFIBRPOOIMLMTP-ABAIWWIYSA-N 1 0 248.370 3.598 20 0 BHADRO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]Cc1cc(C)no1 ZINC000924958334 635805391 /nfs/dbraw/zinc/80/53/91/635805391.db2.gz FFIBRPOOIMLMTP-IAQYHMDHSA-N 1 0 248.370 3.598 20 0 BHADRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(C)(C)C ZINC000924980837 646149342 /nfs/dbraw/zinc/14/93/42/646149342.db2.gz SSOIRCCTDWBKHR-PSEXLTFBSA-N 1 0 241.444 3.827 20 0 BHADRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(C)(C)C ZINC000924980867 646150156 /nfs/dbraw/zinc/15/01/56/646150156.db2.gz SSOIRCCTDWBKHR-WVMKXHBISA-N 1 0 241.444 3.827 20 0 BHADRO CCC(CC)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924991166 646153094 /nfs/dbraw/zinc/15/30/94/646153094.db2.gz CJIVAPVPVCNHAF-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(CC)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924991169 646151710 /nfs/dbraw/zinc/15/17/10/646151710.db2.gz CJIVAPVPVCNHAF-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000925049665 646169414 /nfs/dbraw/zinc/16/94/14/646169414.db2.gz AMRMJHDUDYMBGW-CYBMUJFWSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000925049667 646169018 /nfs/dbraw/zinc/16/90/18/646169018.db2.gz AMRMJHDUDYMBGW-ZDUSSCGKSA-N 1 0 241.444 3.544 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925060011 646171986 /nfs/dbraw/zinc/17/19/86/646171986.db2.gz FZASIAWOBSLBSZ-JTQLQIEISA-N 1 0 248.370 3.665 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925060012 646172374 /nfs/dbraw/zinc/17/23/74/646172374.db2.gz FZASIAWOBSLBSZ-SNVBAGLBSA-N 1 0 248.370 3.665 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1ncco1 ZINC000925063614 635882688 /nfs/dbraw/zinc/88/26/88/635882688.db2.gz HBHBBYZUFCPRSC-AGIUHOORSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1ncco1 ZINC000925063615 635883358 /nfs/dbraw/zinc/88/33/58/635883358.db2.gz HBHBBYZUFCPRSC-AVGNSLFASA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1ncco1 ZINC000925063616 635883233 /nfs/dbraw/zinc/88/32/33/635883233.db2.gz HBHBBYZUFCPRSC-FRRDWIJNSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1ncco1 ZINC000925063617 635882204 /nfs/dbraw/zinc/88/22/04/635882204.db2.gz HBHBBYZUFCPRSC-RWMBFGLXSA-N 1 0 236.359 3.542 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)C1CCCC1 ZINC000925065597 646174078 /nfs/dbraw/zinc/17/40/78/646174078.db2.gz RAZXVAFGQDLLBJ-GWCFXTLKSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](C)C1CCCC1 ZINC000925065598 646174576 /nfs/dbraw/zinc/17/45/76/646174576.db2.gz RAZXVAFGQDLLBJ-GXFFZTMASA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)C1CCCC1 ZINC000925065599 646173501 /nfs/dbraw/zinc/17/35/01/646173501.db2.gz RAZXVAFGQDLLBJ-MFKMUULPSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](C)C1CCCC1 ZINC000925065600 635884242 /nfs/dbraw/zinc/88/42/42/635884242.db2.gz RAZXVAFGQDLLBJ-ZWNOBZJWSA-N 1 0 248.370 3.529 20 0 BHADRO CC(C)c1cc(C[NH2+]C2CC3(C2)CCCC3)on1 ZINC000925069929 646176235 /nfs/dbraw/zinc/17/62/35/646176235.db2.gz YGENMQANROWDAG-UHFFFAOYSA-N 1 0 248.370 3.610 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000925096235 636002668 /nfs/dbraw/zinc/00/26/68/636002668.db2.gz NZQXFHVKPKQVPM-GHMZBOCLSA-N 1 0 248.395 3.570 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000925096237 636002164 /nfs/dbraw/zinc/00/21/64/636002164.db2.gz NZQXFHVKPKQVPM-MNOVXSKESA-N 1 0 248.395 3.570 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000925096238 636002960 /nfs/dbraw/zinc/00/29/60/636002960.db2.gz NZQXFHVKPKQVPM-QWRGUYRKSA-N 1 0 248.395 3.570 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000925096240 636002161 /nfs/dbraw/zinc/00/21/61/636002161.db2.gz NZQXFHVKPKQVPM-WDEREUQCSA-N 1 0 248.395 3.570 20 0 BHADRO CSC[C@@H](C)[NH2+][C@H](C)c1coc2ccccc21 ZINC000925097594 646184306 /nfs/dbraw/zinc/18/43/06/646184306.db2.gz SKWHPZRCXWSKRY-GHMZBOCLSA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925097598 646185085 /nfs/dbraw/zinc/18/50/85/646185085.db2.gz SKWHPZRCXWSKRY-MNOVXSKESA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925097601 646184628 /nfs/dbraw/zinc/18/46/28/646184628.db2.gz SKWHPZRCXWSKRY-QWRGUYRKSA-N 1 0 249.379 3.835 20 0 BHADRO CSC[C@H](C)[NH2+][C@H](C)c1coc2ccccc21 ZINC000925097606 646184385 /nfs/dbraw/zinc/18/43/85/646184385.db2.gz SKWHPZRCXWSKRY-WDEREUQCSA-N 1 0 249.379 3.835 20 0 BHADRO CC[C@@H](COC)[NH2+][C@H](C)c1coc2ccccc12 ZINC000925110118 646186777 /nfs/dbraw/zinc/18/67/77/646186777.db2.gz FPHJDGTUFMLKCA-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](COC)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925110122 646186025 /nfs/dbraw/zinc/18/60/25/646186025.db2.gz FPHJDGTUFMLKCA-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@@H](COC)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000925110125 636058504 /nfs/dbraw/zinc/05/85/04/636058504.db2.gz FPHJDGTUFMLKCA-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](COC)[NH2+][C@H](C)c1coc2ccccc12 ZINC000925110128 636058585 /nfs/dbraw/zinc/05/85/85/636058585.db2.gz FPHJDGTUFMLKCA-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H]([NH2+]C1CC2(C1)CCCC2)c1ccncc1 ZINC000925128430 636151431 /nfs/dbraw/zinc/15/14/31/636151431.db2.gz FFDPXNVYXKZASU-HNNXBMFYSA-N 1 0 244.382 3.845 20 0 BHADRO CC[C@@H]([NH2+]C1CC2(C1)CCCC2)c1ccncc1 ZINC000925128443 636151065 /nfs/dbraw/zinc/15/10/65/636151065.db2.gz FFDPXNVYXKZASU-OAHLLOKOSA-N 1 0 244.382 3.845 20 0 BHADRO COC(C)(C)C[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925150184 636309716 /nfs/dbraw/zinc/30/97/16/636309716.db2.gz GYEOTAYTVNOQJW-GFCCVEGCSA-N 1 0 239.403 3.502 20 0 BHADRO COC(C)(C)C[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925150187 636309481 /nfs/dbraw/zinc/30/94/81/636309481.db2.gz GYEOTAYTVNOQJW-LBPRGKRZSA-N 1 0 239.403 3.502 20 0 BHADRO CS[C@H]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925156224 646196715 /nfs/dbraw/zinc/19/67/15/646196715.db2.gz JMLGBDQVZZOXRY-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925156228 646197605 /nfs/dbraw/zinc/19/76/05/646197605.db2.gz JMLGBDQVZZOXRY-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925156230 646196433 /nfs/dbraw/zinc/19/64/33/646196433.db2.gz JMLGBDQVZZOXRY-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO CS[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925156233 646196948 /nfs/dbraw/zinc/19/69/48/646196948.db2.gz JMLGBDQVZZOXRY-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+]CCCCC1CCCC1)c1ncco1 ZINC000925184795 646202495 /nfs/dbraw/zinc/20/24/95/646202495.db2.gz UEWLSHJUGJKDSN-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@H]([NH2+]CCCCC1CCCC1)c1ncco1 ZINC000925184798 646202580 /nfs/dbraw/zinc/20/25/80/646202580.db2.gz UEWLSHJUGJKDSN-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO FC(F)(F)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000925190500 646204823 /nfs/dbraw/zinc/20/48/23/646204823.db2.gz JQQPVFXTFSIVJW-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO C[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)c1ccncc1 ZINC000925224484 646214610 /nfs/dbraw/zinc/21/46/10/646214610.db2.gz IPFWHSOMHGLGGV-DOMZBBRYSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)c1ccncc1 ZINC000925224489 646214634 /nfs/dbraw/zinc/21/46/34/646214634.db2.gz IPFWHSOMHGLGGV-IUODEOHRSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)c1ccncc1 ZINC000925224493 646214416 /nfs/dbraw/zinc/21/44/16/646214416.db2.gz IPFWHSOMHGLGGV-SWLSCSKDSA-N 1 0 246.398 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)c1ccncc1 ZINC000925224497 646214525 /nfs/dbraw/zinc/21/45/25/646214525.db2.gz IPFWHSOMHGLGGV-WFASDCNBSA-N 1 0 246.398 3.599 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCC1(C)C ZINC000925226628 646214389 /nfs/dbraw/zinc/21/43/89/646214389.db2.gz PSDDUUSRSGFURP-AAEUAGOBSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCC1(C)C ZINC000925226629 646213424 /nfs/dbraw/zinc/21/34/24/646213424.db2.gz PSDDUUSRSGFURP-DGCLKSJQSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCC1(C)C ZINC000925226630 646213345 /nfs/dbraw/zinc/21/33/45/646213345.db2.gz PSDDUUSRSGFURP-WCQYABFASA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCC1(C)C ZINC000925226631 646214435 /nfs/dbraw/zinc/21/44/35/646214435.db2.gz PSDDUUSRSGFURP-YPMHNXCESA-N 1 0 248.370 3.529 20 0 BHADRO c1cc2c([nH]1)CCC[C@@H]2[NH2+]C1CC2(C1)CCCC2 ZINC000925229849 646216030 /nfs/dbraw/zinc/21/60/30/646216030.db2.gz YFPKEVYVWHIHCI-HNNXBMFYSA-N 1 0 244.382 3.705 20 0 BHADRO c1cc2c([nH]1)CCC[C@H]2[NH2+]C1CC2(C1)CCCC2 ZINC000925229851 646216796 /nfs/dbraw/zinc/21/67/96/646216796.db2.gz YFPKEVYVWHIHCI-OAHLLOKOSA-N 1 0 244.382 3.705 20 0 BHADRO CCC1(C[NH2+][C@@H]2CCCc3oc(C)nc32)CCC1 ZINC000925239600 711788092 /nfs/dbraw/zinc/78/80/92/711788092.db2.gz LIPXWDNGTQQXLL-GFCCVEGCSA-N 1 0 248.370 3.530 20 0 BHADRO CCC1(C[NH2+][C@H]2CCCc3oc(C)nc32)CCC1 ZINC000925239603 711788069 /nfs/dbraw/zinc/78/80/69/711788069.db2.gz LIPXWDNGTQQXLL-LBPRGKRZSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1cccc2c1[C@H]([NH2+]CCC(F)(F)F)CC2 ZINC000925241038 636487774 /nfs/dbraw/zinc/48/77/74/636487774.db2.gz TYXRMZRMTKSAKL-LLVKDONJSA-N 1 0 243.272 3.524 20 0 BHADRO Cc1cccc2c1[C@@H]([NH2+]CCC(F)(F)F)CC2 ZINC000925241039 636488491 /nfs/dbraw/zinc/48/84/91/636488491.db2.gz TYXRMZRMTKSAKL-NSHDSACASA-N 1 0 243.272 3.524 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)c1ncco1 ZINC000925243128 636497287 /nfs/dbraw/zinc/49/72/87/636497287.db2.gz DPGSMKNCJRJZDH-GFCCVEGCSA-N 1 0 238.375 3.932 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)c1ncco1 ZINC000925243129 636498235 /nfs/dbraw/zinc/49/82/35/636498235.db2.gz DPGSMKNCJRJZDH-LBPRGKRZSA-N 1 0 238.375 3.932 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@H](C)c1ccnnc1 ZINC000925244249 636501599 /nfs/dbraw/zinc/50/15/99/636501599.db2.gz NDKZNZDFFBWPJC-CYBMUJFWSA-N 1 0 249.402 3.734 20 0 BHADRO CCCCCC(C)(C)C[NH2+][C@@H](C)c1ccnnc1 ZINC000925244250 636501621 /nfs/dbraw/zinc/50/16/21/636501621.db2.gz NDKZNZDFFBWPJC-ZDUSSCGKSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@@H](C)c1ccnnc1 ZINC000925246858 636508141 /nfs/dbraw/zinc/50/81/41/636508141.db2.gz KFILPBBMOBSGQA-KBPBESRZSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@H](CCC)C[NH2+][C@H](C)c1ccnnc1 ZINC000925246859 636508299 /nfs/dbraw/zinc/50/82/99/636508299.db2.gz KFILPBBMOBSGQA-KGLIPLIRSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@@H](C)c1ccnnc1 ZINC000925246860 636508164 /nfs/dbraw/zinc/50/81/64/636508164.db2.gz KFILPBBMOBSGQA-UONOGXRCSA-N 1 0 249.402 3.734 20 0 BHADRO CCCC[C@@H](CCC)C[NH2+][C@H](C)c1ccnnc1 ZINC000925246861 636508326 /nfs/dbraw/zinc/50/83/26/636508326.db2.gz KFILPBBMOBSGQA-ZIAGYGMSSA-N 1 0 249.402 3.734 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925254853 646221400 /nfs/dbraw/zinc/22/14/00/646221400.db2.gz BKIXIYNGZWQGLT-AGIUHOORSA-N 1 0 248.370 3.529 20 0 BHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925254855 646220798 /nfs/dbraw/zinc/22/07/98/646220798.db2.gz BKIXIYNGZWQGLT-FRRDWIJNSA-N 1 0 248.370 3.529 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925254857 646220993 /nfs/dbraw/zinc/22/09/93/646220993.db2.gz BKIXIYNGZWQGLT-JHJVBQTASA-N 1 0 248.370 3.529 20 0 BHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925254858 646220810 /nfs/dbraw/zinc/22/08/10/646220810.db2.gz BKIXIYNGZWQGLT-UPJWGTAASA-N 1 0 248.370 3.529 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1cc2ccccc2[nH]1 ZINC000925268313 636653264 /nfs/dbraw/zinc/65/32/64/636653264.db2.gz IAINWOKQFDQXHV-LLVKDONJSA-N 1 0 226.323 3.537 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1cc2ccccc2[nH]1 ZINC000925268315 636652535 /nfs/dbraw/zinc/65/25/35/636652535.db2.gz IAINWOKQFDQXHV-NSHDSACASA-N 1 0 226.323 3.537 20 0 BHADRO C[C@@H]([NH2+]C1CC=CC1)c1coc2ccccc12 ZINC000925268336 636653141 /nfs/dbraw/zinc/65/31/41/636653141.db2.gz IBDZVCRZRIYIJG-LLVKDONJSA-N 1 0 227.307 3.802 20 0 BHADRO C[C@H]([NH2+]C1CC=CC1)c1coc2ccccc12 ZINC000925268351 636653685 /nfs/dbraw/zinc/65/36/85/636653685.db2.gz IBDZVCRZRIYIJG-NSHDSACASA-N 1 0 227.307 3.802 20 0 BHADRO COC(C)(C)C[NH2+][C@H](C)c1coc2ccccc12 ZINC000925269815 646227300 /nfs/dbraw/zinc/22/73/00/646227300.db2.gz KDNYCSAKMHBHGQ-LLVKDONJSA-N 1 0 247.338 3.508 20 0 BHADRO COC(C)(C)C[NH2+][C@@H](C)c1coc2ccccc12 ZINC000925269817 646227380 /nfs/dbraw/zinc/22/73/80/646227380.db2.gz KDNYCSAKMHBHGQ-NSHDSACASA-N 1 0 247.338 3.508 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925293452 646233786 /nfs/dbraw/zinc/23/37/86/646233786.db2.gz LMKOQRBQGYOVGB-CYBMUJFWSA-N 1 0 244.382 3.763 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000925293453 646234352 /nfs/dbraw/zinc/23/43/52/646234352.db2.gz LMKOQRBQGYOVGB-ZDUSSCGKSA-N 1 0 244.382 3.763 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925349409 646252296 /nfs/dbraw/zinc/25/22/96/646252296.db2.gz BXTURNDBFQNSNQ-CHWSQXEVSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925349411 646251196 /nfs/dbraw/zinc/25/11/96/646251196.db2.gz BXTURNDBFQNSNQ-OLZOCXBDSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925349412 646249507 /nfs/dbraw/zinc/24/95/07/646249507.db2.gz BXTURNDBFQNSNQ-QWHCGFSZSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925349414 646247602 /nfs/dbraw/zinc/24/76/02/646247602.db2.gz BXTURNDBFQNSNQ-STQMWFEESA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925350734 646251974 /nfs/dbraw/zinc/25/19/74/646251974.db2.gz IMERDCPZLNJPBQ-GXTWGEPZSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925350737 646251487 /nfs/dbraw/zinc/25/14/87/646251487.db2.gz IMERDCPZLNJPBQ-JSGCOSHPSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925350739 646252157 /nfs/dbraw/zinc/25/21/57/646252157.db2.gz IMERDCPZLNJPBQ-OCCSQVGLSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925350742 646251233 /nfs/dbraw/zinc/25/12/33/646251233.db2.gz IMERDCPZLNJPBQ-TZMCWYRMSA-N 1 0 249.402 3.837 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925352494 646250419 /nfs/dbraw/zinc/25/04/19/646250419.db2.gz NXIUWDTXWONNMO-NEPJUHHUSA-N 1 0 236.359 3.529 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925352495 646251641 /nfs/dbraw/zinc/25/16/41/646251641.db2.gz NXIUWDTXWONNMO-NWDGAFQWSA-N 1 0 236.359 3.529 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925352496 646252028 /nfs/dbraw/zinc/25/20/28/646252028.db2.gz NXIUWDTXWONNMO-RYUDHWBXSA-N 1 0 236.359 3.529 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925352497 646251132 /nfs/dbraw/zinc/25/11/32/646251132.db2.gz NXIUWDTXWONNMO-VXGBXAGGSA-N 1 0 236.359 3.529 20 0 BHADRO CCC[C@@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925354572 646251483 /nfs/dbraw/zinc/25/14/83/646251483.db2.gz WPJUBKDUFTWNKE-DNOWBOINSA-N 1 0 239.403 3.502 20 0 BHADRO CCC[C@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925354577 646251189 /nfs/dbraw/zinc/25/11/89/646251189.db2.gz WPJUBKDUFTWNKE-OPFPJEHXSA-N 1 0 239.403 3.502 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ccnnc1 ZINC000925354761 646252342 /nfs/dbraw/zinc/25/23/42/646252342.db2.gz LFDJSEXXNFTJSK-CYBMUJFWSA-N 1 0 249.402 3.588 20 0 BHADRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccnnc1 ZINC000925354762 646251834 /nfs/dbraw/zinc/25/18/34/646251834.db2.gz LFDJSEXXNFTJSK-ZDUSSCGKSA-N 1 0 249.402 3.588 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1coc2ccccc12 ZINC000925375354 646253970 /nfs/dbraw/zinc/25/39/70/646253970.db2.gz CHICBOQGOKDXPJ-JTQLQIEISA-N 1 0 215.296 3.636 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1coc2ccccc12 ZINC000925375355 646253248 /nfs/dbraw/zinc/25/32/48/646253248.db2.gz CHICBOQGOKDXPJ-SNVBAGLBSA-N 1 0 215.296 3.636 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1cc(-c2ccccc2)no1 ZINC000925375702 646253625 /nfs/dbraw/zinc/25/36/25/646253625.db2.gz FKZHMXZUHJHVEF-LLVKDONJSA-N 1 0 242.322 3.545 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1cc(-c2ccccc2)no1 ZINC000925375703 646254420 /nfs/dbraw/zinc/25/44/20/646254420.db2.gz FKZHMXZUHJHVEF-NSHDSACASA-N 1 0 242.322 3.545 20 0 BHADRO CCC[C@@H]([NH2+]C1CCC1)c1ncccc1Cl ZINC000925377264 646257045 /nfs/dbraw/zinc/25/70/45/646257045.db2.gz PCCVHWWCGBBNLP-GFCCVEGCSA-N 1 0 238.762 3.718 20 0 BHADRO CCC[C@H]([NH2+]C1CCC1)c1ncccc1Cl ZINC000925377265 646256362 /nfs/dbraw/zinc/25/63/62/646256362.db2.gz PCCVHWWCGBBNLP-LBPRGKRZSA-N 1 0 238.762 3.718 20 0 BHADRO C[C@@H]([NH2+]C1CCC1)c1csc(C(F)(F)F)c1 ZINC000925377659 646257204 /nfs/dbraw/zinc/25/72/04/646257204.db2.gz QYZZPTKTYPYTKE-SSDOTTSWSA-N 1 0 249.301 3.970 20 0 BHADRO C[C@H]([NH2+]C1CCC1)c1csc(C(F)(F)F)c1 ZINC000925377661 646257168 /nfs/dbraw/zinc/25/71/68/646257168.db2.gz QYZZPTKTYPYTKE-ZETCQYMHSA-N 1 0 249.301 3.970 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](C)CC1 ZINC000925382087 641400009 /nfs/dbraw/zinc/40/00/09/641400009.db2.gz JQCJUXZYGPVMDV-DRZSPHRISA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CC[C@H](C)CC1 ZINC000925382088 641401360 /nfs/dbraw/zinc/40/13/60/641401360.db2.gz JQCJUXZYGPVMDV-RAIGVLPGSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000925382337 646255541 /nfs/dbraw/zinc/25/55/41/646255541.db2.gz LRIITQWWRQXMSH-GIPNMCIBSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000925382338 646257111 /nfs/dbraw/zinc/25/71/11/646257111.db2.gz LRIITQWWRQXMSH-KWBADKCTSA-N 1 0 236.359 3.521 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1(C)CCCC1 ZINC000925383863 641405369 /nfs/dbraw/zinc/40/53/69/641405369.db2.gz ZRNSXGDAQRDSAV-GFCCVEGCSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1(C)CCCC1 ZINC000925383865 641404395 /nfs/dbraw/zinc/40/43/95/641404395.db2.gz ZRNSXGDAQRDSAV-LBPRGKRZSA-N 1 0 248.370 3.530 20 0 BHADRO c1ccc([C@H]([NH2+][C@@H]2CC=CCC2)C2CCC2)nc1 ZINC000925438588 642063176 /nfs/dbraw/zinc/06/31/76/642063176.db2.gz YURVGNZBKMMYKL-GDBMZVCRSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@H]([NH2+][C@H]2CC=CCC2)C2CCC2)nc1 ZINC000925438600 642063796 /nfs/dbraw/zinc/06/37/96/642063796.db2.gz YURVGNZBKMMYKL-GOEBONIOSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@@H]([NH2+][C@H]2CC=CCC2)C2CCC2)nc1 ZINC000925438604 642064332 /nfs/dbraw/zinc/06/43/32/642064332.db2.gz YURVGNZBKMMYKL-HOCLYGCPSA-N 1 0 242.366 3.621 20 0 BHADRO c1ccc([C@@H]([NH2+][C@@H]2CC=CCC2)C2CCC2)nc1 ZINC000925438605 642063526 /nfs/dbraw/zinc/06/35/26/642063526.db2.gz YURVGNZBKMMYKL-ZBFHGGJFSA-N 1 0 242.366 3.621 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000925479462 646291354 /nfs/dbraw/zinc/29/13/54/646291354.db2.gz ZYLFVLJWUDQNFG-AXFHLTTASA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000925479463 646292678 /nfs/dbraw/zinc/29/26/78/646292678.db2.gz ZYLFVLJWUDQNFG-DCAQKATOSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000925479464 646292482 /nfs/dbraw/zinc/29/24/82/646292482.db2.gz ZYLFVLJWUDQNFG-GARJFASQSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000925479465 646291428 /nfs/dbraw/zinc/29/14/28/646291428.db2.gz ZYLFVLJWUDQNFG-HBNTYKKESA-N 1 0 226.389 3.618 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC1)c1coc2ccccc21 ZINC000925480575 646293127 /nfs/dbraw/zinc/29/31/27/646293127.db2.gz MPUBGEWXXPCPNR-GHMZBOCLSA-N 1 0 247.363 3.589 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC1)c1coc2ccccc21 ZINC000925480576 646292692 /nfs/dbraw/zinc/29/26/92/646292692.db2.gz MPUBGEWXXPCPNR-MNOVXSKESA-N 1 0 247.363 3.589 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC1)c1coc2ccccc21 ZINC000925480579 646292206 /nfs/dbraw/zinc/29/22/06/646292206.db2.gz MPUBGEWXXPCPNR-QWRGUYRKSA-N 1 0 247.363 3.589 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC1)c1coc2ccccc21 ZINC000925480580 646291177 /nfs/dbraw/zinc/29/11/77/646291177.db2.gz MPUBGEWXXPCPNR-WDEREUQCSA-N 1 0 247.363 3.589 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000925484664 646297732 /nfs/dbraw/zinc/29/77/32/646297732.db2.gz HQASJURILZGNTK-BMFZPTHFSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000925484665 646296981 /nfs/dbraw/zinc/29/69/81/646296981.db2.gz HQASJURILZGNTK-FVQBIDKESA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000925484666 646296585 /nfs/dbraw/zinc/29/65/85/646296585.db2.gz HQASJURILZGNTK-KBMXLJTQSA-N 1 0 244.382 3.701 20 0 BHADRO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000925484667 646297016 /nfs/dbraw/zinc/29/70/16/646297016.db2.gz HQASJURILZGNTK-VNQPRFMTSA-N 1 0 244.382 3.701 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CC1)c1cc2ccccc2[nH]1 ZINC000925487820 645491660 /nfs/dbraw/zinc/49/16/60/645491660.db2.gz GLXGLFDYIRKCHN-LLVKDONJSA-N 1 0 228.339 3.619 20 0 BHADRO C[C@H]([NH2+]CC1(C)CC1)c1cc2ccccc2[nH]1 ZINC000925487821 645491743 /nfs/dbraw/zinc/49/17/43/645491743.db2.gz GLXGLFDYIRKCHN-NSHDSACASA-N 1 0 228.339 3.619 20 0 BHADRO CCC1(C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925497243 646302058 /nfs/dbraw/zinc/30/20/58/646302058.db2.gz GFQHJGYJQOHCCB-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CCC1(C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925497244 645923122 /nfs/dbraw/zinc/92/31/22/645923122.db2.gz GFQHJGYJQOHCCB-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)CC1(C[NH2+][C@H](C)c2ccns2)CC1 ZINC000925522004 646314867 /nfs/dbraw/zinc/31/48/67/646314867.db2.gz XRTVOQSLBBPGLY-LLVKDONJSA-N 1 0 238.400 3.620 20 0 BHADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000925522005 646315927 /nfs/dbraw/zinc/31/59/27/646315927.db2.gz XRTVOQSLBBPGLY-NSHDSACASA-N 1 0 238.400 3.620 20 0 BHADRO CCCC1(C[NH2+][C@@H]2CCCc3oc(C)nc32)CC1 ZINC000925536315 633935550 /nfs/dbraw/zinc/93/55/50/633935550.db2.gz CTVLNGVNGYUGBL-GFCCVEGCSA-N 1 0 248.370 3.530 20 0 BHADRO CCCC1(C[NH2+][C@H]2CCCc3oc(C)nc32)CC1 ZINC000925536316 633934956 /nfs/dbraw/zinc/93/49/56/633934956.db2.gz CTVLNGVNGYUGBL-LBPRGKRZSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCF ZINC000925557849 646330654 /nfs/dbraw/zinc/33/06/54/646330654.db2.gz QWRZFYHYAHIQIA-JTQLQIEISA-N 1 0 235.302 3.751 20 0 BHADRO Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCF ZINC000925557851 646331798 /nfs/dbraw/zinc/33/17/98/646331798.db2.gz QWRZFYHYAHIQIA-SNVBAGLBSA-N 1 0 235.302 3.751 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000925560953 646336031 /nfs/dbraw/zinc/33/60/31/646336031.db2.gz AMRFQTAUNYQQQN-GMTAPVOTSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000925560954 646335998 /nfs/dbraw/zinc/33/59/98/646335998.db2.gz AMRFQTAUNYQQQN-KXNHARMFSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000925560955 646335230 /nfs/dbraw/zinc/33/52/30/646335230.db2.gz AMRFQTAUNYQQQN-MXWKQRLJSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000925560956 646335625 /nfs/dbraw/zinc/33/56/25/646335625.db2.gz AMRFQTAUNYQQQN-WHOHXGKFSA-N 1 0 231.330 3.589 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925564975 646337280 /nfs/dbraw/zinc/33/72/80/646337280.db2.gz WRJTURMIWIUVGP-LLVKDONJSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925564976 646337648 /nfs/dbraw/zinc/33/76/48/646337648.db2.gz WRJTURMIWIUVGP-NSHDSACASA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925565289 646338298 /nfs/dbraw/zinc/33/82/98/646338298.db2.gz ZNUZPBRSZBYTTF-LOWDOPEQSA-N 1 0 241.325 3.509 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925565290 646338177 /nfs/dbraw/zinc/33/81/77/646338177.db2.gz ZNUZPBRSZBYTTF-QNWHQSFQSA-N 1 0 241.325 3.509 20 0 BHADRO FC1(F)CCC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925565291 646337161 /nfs/dbraw/zinc/33/71/61/646337161.db2.gz ZNUZPBRSZBYTTF-RNJOBUHISA-N 1 0 241.325 3.509 20 0 BHADRO FC1(F)CCC[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925565292 634057635 /nfs/dbraw/zinc/05/76/35/634057635.db2.gz ZNUZPBRSZBYTTF-UMSGYPCISA-N 1 0 241.325 3.509 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925601872 646353228 /nfs/dbraw/zinc/35/32/28/646353228.db2.gz OJFBPHHRDKWUTL-CHWSQXEVSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925601873 646353563 /nfs/dbraw/zinc/35/35/63/646353563.db2.gz OJFBPHHRDKWUTL-OLZOCXBDSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925601874 646353807 /nfs/dbraw/zinc/35/38/07/646353807.db2.gz OJFBPHHRDKWUTL-QWHCGFSZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925601875 646352884 /nfs/dbraw/zinc/35/28/84/646352884.db2.gz OJFBPHHRDKWUTL-STQMWFEESA-N 1 0 249.402 3.693 20 0 BHADRO CS[C@H](C)C[NH2+][C@H](C)c1coc2ccccc21 ZINC000925602280 646353418 /nfs/dbraw/zinc/35/34/18/646353418.db2.gz RYTJPVYBDOOEEU-GHMZBOCLSA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@H](C)C[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925602281 646352659 /nfs/dbraw/zinc/35/26/59/646352659.db2.gz RYTJPVYBDOOEEU-MNOVXSKESA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@@H](C)C[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925602282 646353117 /nfs/dbraw/zinc/35/31/17/646353117.db2.gz RYTJPVYBDOOEEU-QWRGUYRKSA-N 1 0 249.379 3.835 20 0 BHADRO CS[C@@H](C)C[NH2+][C@H](C)c1coc2ccccc21 ZINC000925602283 646353619 /nfs/dbraw/zinc/35/36/19/646353619.db2.gz RYTJPVYBDOOEEU-WDEREUQCSA-N 1 0 249.379 3.835 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925602816 646354989 /nfs/dbraw/zinc/35/49/89/646354989.db2.gz WSDZAVCNUZGDGP-CHWSQXEVSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925602817 646355874 /nfs/dbraw/zinc/35/58/74/646355874.db2.gz WSDZAVCNUZGDGP-OLZOCXBDSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925602818 634131195 /nfs/dbraw/zinc/13/11/95/634131195.db2.gz WSDZAVCNUZGDGP-QWHCGFSZSA-N 1 0 249.402 3.693 20 0 BHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925602819 634131928 /nfs/dbraw/zinc/13/19/28/634131928.db2.gz WSDZAVCNUZGDGP-STQMWFEESA-N 1 0 249.402 3.693 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000925603584 646354941 /nfs/dbraw/zinc/35/49/41/646354941.db2.gz PAMVXDKUPUANRI-JTQLQIEISA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000925603585 646355847 /nfs/dbraw/zinc/35/58/47/646355847.db2.gz PAMVXDKUPUANRI-SNVBAGLBSA-N 1 0 248.370 3.522 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ncco1 ZINC000925623197 646370597 /nfs/dbraw/zinc/37/05/97/646370597.db2.gz QFOCJVQYZCVQPP-LLVKDONJSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ncco1 ZINC000925623198 646369265 /nfs/dbraw/zinc/36/92/65/646369265.db2.gz QFOCJVQYZCVQPP-NSHDSACASA-N 1 0 236.359 3.542 20 0 BHADRO FC1(F)CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925649523 646389285 /nfs/dbraw/zinc/38/92/85/646389285.db2.gz GWPYBSYPTLDGQG-UHFFFAOYSA-N 1 0 243.341 3.877 20 0 BHADRO FC1(F)CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925657103 634221175 /nfs/dbraw/zinc/22/11/75/634221175.db2.gz IFDFIZYZYVAKKV-DMDPSCGWSA-N 1 0 241.325 3.509 20 0 BHADRO FC1(F)CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925657105 634220313 /nfs/dbraw/zinc/22/03/13/634220313.db2.gz IFDFIZYZYVAKKV-LOWVWBTDSA-N 1 0 241.325 3.509 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC(C)(C)C1 ZINC000925675011 646405390 /nfs/dbraw/zinc/40/53/90/646405390.db2.gz CORQHWANUDSWQA-NEPJUHHUSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCC(C)(C)C1 ZINC000925675012 646405833 /nfs/dbraw/zinc/40/58/33/646405833.db2.gz CORQHWANUDSWQA-NWDGAFQWSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC(C)(C)C1 ZINC000925675013 646404781 /nfs/dbraw/zinc/40/47/81/646404781.db2.gz CORQHWANUDSWQA-RYUDHWBXSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCC(C)(C)C1 ZINC000925675014 646404954 /nfs/dbraw/zinc/40/49/54/646404954.db2.gz CORQHWANUDSWQA-VXGBXAGGSA-N 1 0 248.370 3.529 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000925896158 646534894 /nfs/dbraw/zinc/53/48/94/646534894.db2.gz IRBJZLAROJCSDC-LLVKDONJSA-N 1 0 240.350 3.761 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000925896159 646535584 /nfs/dbraw/zinc/53/55/84/646535584.db2.gz IRBJZLAROJCSDC-NSHDSACASA-N 1 0 240.350 3.761 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000925928582 646544753 /nfs/dbraw/zinc/54/47/53/646544753.db2.gz DWCJTTOCVBTMRL-GHMZBOCLSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000925928583 646543882 /nfs/dbraw/zinc/54/38/82/646543882.db2.gz DWCJTTOCVBTMRL-MNOVXSKESA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000925928584 646544187 /nfs/dbraw/zinc/54/41/87/646544187.db2.gz DWCJTTOCVBTMRL-QWRGUYRKSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000925928585 646544625 /nfs/dbraw/zinc/54/46/25/646544625.db2.gz DWCJTTOCVBTMRL-WDEREUQCSA-N 1 0 231.330 3.589 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1cncc(F)c1 ZINC000926126949 646579273 /nfs/dbraw/zinc/57/92/73/646579273.db2.gz FOKAYSRZZBOCLM-LLVKDONJSA-N 1 0 248.345 3.594 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCC2)c1cncc(F)c1 ZINC000926126950 646579323 /nfs/dbraw/zinc/57/93/23/646579323.db2.gz FOKAYSRZZBOCLM-NSHDSACASA-N 1 0 248.345 3.594 20 0 BHADRO CC(C)OCCCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926130207 646581343 /nfs/dbraw/zinc/58/13/43/646581343.db2.gz MAYQERXYPXUVLE-AWEZNQCLSA-N 1 0 241.419 3.606 20 0 BHADRO CC(C)OCCCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926130208 646580430 /nfs/dbraw/zinc/58/04/30/646580430.db2.gz MAYQERXYPXUVLE-CQSZACIVSA-N 1 0 241.419 3.606 20 0 BHADRO CS[C@H](C[NH2+][C@H](C)C1(Cl)CC1)C(C)(C)C ZINC000926137678 646578205 /nfs/dbraw/zinc/57/82/05/646578205.db2.gz WKLLCQRJLZJWJB-NXEZZACHSA-N 1 0 249.851 3.514 20 0 BHADRO CS[C@@H](C[NH2+][C@@H](C)C1(Cl)CC1)C(C)(C)C ZINC000926137679 646577568 /nfs/dbraw/zinc/57/75/68/646577568.db2.gz WKLLCQRJLZJWJB-UWVGGRQHSA-N 1 0 249.851 3.514 20 0 BHADRO CS[C@H](C[NH2+][C@@H](C)C1(Cl)CC1)C(C)(C)C ZINC000926137680 646577342 /nfs/dbraw/zinc/57/73/42/646577342.db2.gz WKLLCQRJLZJWJB-VHSXEESVSA-N 1 0 249.851 3.514 20 0 BHADRO CS[C@@H](C[NH2+][C@H](C)C1(Cl)CC1)C(C)(C)C ZINC000926137681 646577816 /nfs/dbraw/zinc/57/78/16/646577816.db2.gz WKLLCQRJLZJWJB-ZJUUUORDSA-N 1 0 249.851 3.514 20 0 BHADRO CC(C)OCC[NH2+][C@H](C)c1coc2ccccc21 ZINC000926154974 646585099 /nfs/dbraw/zinc/58/50/99/646585099.db2.gz KVWWBEBAFWEYAE-GFCCVEGCSA-N 1 0 247.338 3.508 20 0 BHADRO CC(C)OCC[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926154976 646586199 /nfs/dbraw/zinc/58/61/99/646586199.db2.gz KVWWBEBAFWEYAE-LBPRGKRZSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926175468 646589126 /nfs/dbraw/zinc/58/91/26/646589126.db2.gz QJYHBTHAFQIQHW-IRCOFANPSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926175470 646588601 /nfs/dbraw/zinc/58/86/01/646588601.db2.gz QJYHBTHAFQIQHW-QCNOEVLYSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926175472 646589311 /nfs/dbraw/zinc/58/93/11/646589311.db2.gz QJYHBTHAFQIQHW-USZNOCQGSA-N 1 0 247.304 3.662 20 0 BHADRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926175474 646588654 /nfs/dbraw/zinc/58/86/54/646588654.db2.gz QJYHBTHAFQIQHW-WHOHXGKFSA-N 1 0 247.304 3.662 20 0 BHADRO CCC1(C[NH2+][C@H](C)c2ncco2)CCCCC1 ZINC000926178110 646588271 /nfs/dbraw/zinc/58/82/71/646588271.db2.gz JXLISTNXHRCUGN-GFCCVEGCSA-N 1 0 236.359 3.686 20 0 BHADRO CCC1(C[NH2+][C@@H](C)c2ncco2)CCCCC1 ZINC000926178111 646589141 /nfs/dbraw/zinc/58/91/41/646589141.db2.gz JXLISTNXHRCUGN-LBPRGKRZSA-N 1 0 236.359 3.686 20 0 BHADRO C[C@@H]([NH2+]CCC1=CCCCCC1)c1ncco1 ZINC000926188115 646590714 /nfs/dbraw/zinc/59/07/14/646590714.db2.gz RTYLLTMJMACRRY-GFCCVEGCSA-N 1 0 234.343 3.606 20 0 BHADRO C[C@H]([NH2+]CCC1=CCCCCC1)c1ncco1 ZINC000926188116 646590970 /nfs/dbraw/zinc/59/09/70/646590970.db2.gz RTYLLTMJMACRRY-LBPRGKRZSA-N 1 0 234.343 3.606 20 0 BHADRO C[C@H](CC(F)(F)F)[NH2+]C1CC2(C1)CCCC2 ZINC000926190134 646590168 /nfs/dbraw/zinc/59/01/68/646590168.db2.gz UAKUGPWYZCAKSZ-SECBINFHSA-N 1 0 235.293 3.640 20 0 BHADRO C[C@@H](CC(F)(F)F)[NH2+]C1CC2(C1)CCCC2 ZINC000926190136 646591053 /nfs/dbraw/zinc/59/10/53/646591053.db2.gz UAKUGPWYZCAKSZ-VIFPVBQESA-N 1 0 235.293 3.640 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)CCC1CC1 ZINC000926195844 646591792 /nfs/dbraw/zinc/59/17/92/646591792.db2.gz INOFATOEWXDZSN-GWCFXTLKSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](C)CCC1CC1 ZINC000926195845 646592281 /nfs/dbraw/zinc/59/22/81/646592281.db2.gz INOFATOEWXDZSN-GXFFZTMASA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)CCC1CC1 ZINC000926195847 646592217 /nfs/dbraw/zinc/59/22/17/646592217.db2.gz INOFATOEWXDZSN-MFKMUULPSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](C)CCC1CC1 ZINC000926195849 646591613 /nfs/dbraw/zinc/59/16/13/646591613.db2.gz INOFATOEWXDZSN-ZWNOBZJWSA-N 1 0 248.370 3.529 20 0 BHADRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000926204927 646593514 /nfs/dbraw/zinc/59/35/14/646593514.db2.gz CTGSGZQUZWOOCB-GFCCVEGCSA-N 1 0 249.785 3.511 20 0 BHADRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000926204929 646593768 /nfs/dbraw/zinc/59/37/68/646593768.db2.gz CTGSGZQUZWOOCB-LBPRGKRZSA-N 1 0 249.785 3.511 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1=CCCCC1)c1ncco1 ZINC000926205092 646593642 /nfs/dbraw/zinc/59/36/42/646593642.db2.gz CYJSBNOEGXOMEE-GFCCVEGCSA-N 1 0 248.370 3.852 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1=CCCCC1)c1ncco1 ZINC000926205093 646594501 /nfs/dbraw/zinc/59/45/01/646594501.db2.gz CYJSBNOEGXOMEE-LBPRGKRZSA-N 1 0 248.370 3.852 20 0 BHADRO CCOC[C@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000926223578 646597194 /nfs/dbraw/zinc/59/71/94/646597194.db2.gz ISNPXFBKKCQLLA-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO CCOC[C@H](C)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000926223580 646597089 /nfs/dbraw/zinc/59/70/89/646597089.db2.gz ISNPXFBKKCQLLA-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1ccnnc1 ZINC000926243484 646603491 /nfs/dbraw/zinc/60/34/91/646603491.db2.gz KYAIOVQRZFXXIA-CHWSQXEVSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ccnnc1)CC(C)(C)C ZINC000926243485 646602797 /nfs/dbraw/zinc/60/27/97/646602797.db2.gz KYAIOVQRZFXXIA-OLZOCXBDSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)c1ccnnc1)CC(C)(C)C ZINC000926243486 646602494 /nfs/dbraw/zinc/60/24/94/646602494.db2.gz KYAIOVQRZFXXIA-QWHCGFSZSA-N 1 0 249.402 3.590 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ccnnc1)CC(C)(C)C ZINC000926243487 646603229 /nfs/dbraw/zinc/60/32/29/646603229.db2.gz KYAIOVQRZFXXIA-STQMWFEESA-N 1 0 249.402 3.590 20 0 BHADRO C[C@H](CC[NH2+][C@@H](C)c1ncco1)CC(C)(C)C ZINC000926245401 646604480 /nfs/dbraw/zinc/60/44/80/646604480.db2.gz UUSHPZNYBNJDCE-NEPJUHHUSA-N 1 0 238.375 3.788 20 0 BHADRO C[C@@H](CC[NH2+][C@H](C)c1ncco1)CC(C)(C)C ZINC000926245402 646604741 /nfs/dbraw/zinc/60/47/41/646604741.db2.gz UUSHPZNYBNJDCE-NWDGAFQWSA-N 1 0 238.375 3.788 20 0 BHADRO C[C@@H](CC[NH2+][C@@H](C)c1ncco1)CC(C)(C)C ZINC000926245403 646604423 /nfs/dbraw/zinc/60/44/23/646604423.db2.gz UUSHPZNYBNJDCE-RYUDHWBXSA-N 1 0 238.375 3.788 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1ncco1 ZINC000926245404 646604254 /nfs/dbraw/zinc/60/42/54/646604254.db2.gz UUSHPZNYBNJDCE-VXGBXAGGSA-N 1 0 238.375 3.788 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000926248476 646603899 /nfs/dbraw/zinc/60/38/99/646603899.db2.gz BCUBHOFSDHUHBS-QJPTWQEYSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926248478 646604369 /nfs/dbraw/zinc/60/43/69/646604369.db2.gz BCUBHOFSDHUHBS-SDDRHHMPSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000926248479 646604700 /nfs/dbraw/zinc/60/47/00/646604700.db2.gz BCUBHOFSDHUHBS-SRVKXCTJSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000926248481 646604062 /nfs/dbraw/zinc/60/40/62/646604062.db2.gz BCUBHOFSDHUHBS-TUAOUCFPSA-N 1 0 247.338 3.507 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926264303 646608638 /nfs/dbraw/zinc/60/86/38/646608638.db2.gz GFKVGVVNTWLQDX-CYBMUJFWSA-N 1 0 247.386 3.615 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926264305 646609259 /nfs/dbraw/zinc/60/92/59/646609259.db2.gz GFKVGVVNTWLQDX-ZDUSSCGKSA-N 1 0 247.386 3.615 20 0 BHADRO CC(C)=CC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926265371 646609062 /nfs/dbraw/zinc/60/90/62/646609062.db2.gz LFHYQZHHRDDCPS-CYBMUJFWSA-N 1 0 247.382 3.531 20 0 BHADRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926265372 646609302 /nfs/dbraw/zinc/60/93/02/646609302.db2.gz LFHYQZHHRDDCPS-ZDUSSCGKSA-N 1 0 247.382 3.531 20 0 BHADRO CC(C)=CCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926266280 646608542 /nfs/dbraw/zinc/60/85/42/646608542.db2.gz SLMOTAIDNKNVJP-CYBMUJFWSA-N 1 0 247.386 3.615 20 0 BHADRO CC(C)=CCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926266281 646608813 /nfs/dbraw/zinc/60/88/13/646608813.db2.gz SLMOTAIDNKNVJP-ZDUSSCGKSA-N 1 0 247.386 3.615 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926281171 646609694 /nfs/dbraw/zinc/60/96/94/646609694.db2.gz MBZWUDXLRZQWBX-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926281172 646610013 /nfs/dbraw/zinc/61/00/13/646610013.db2.gz MBZWUDXLRZQWBX-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(C)(C)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926282503 646609626 /nfs/dbraw/zinc/60/96/26/646609626.db2.gz XDHJSVHXGNPWEE-GFCCVEGCSA-N 1 0 249.402 3.695 20 0 BHADRO CCC(C)(C)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926282505 646610276 /nfs/dbraw/zinc/61/02/76/646610276.db2.gz XDHJSVHXGNPWEE-LBPRGKRZSA-N 1 0 249.402 3.695 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000926282670 646609907 /nfs/dbraw/zinc/60/99/07/646609907.db2.gz FTXGGWAMPDQVDI-GHMZBOCLSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000926282671 646610274 /nfs/dbraw/zinc/61/02/74/646610274.db2.gz FTXGGWAMPDQVDI-MNOVXSKESA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000926282672 646610473 /nfs/dbraw/zinc/61/04/73/646610473.db2.gz FTXGGWAMPDQVDI-QWRGUYRKSA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000926282673 646610211 /nfs/dbraw/zinc/61/02/11/646610211.db2.gz FTXGGWAMPDQVDI-WDEREUQCSA-N 1 0 231.330 3.589 20 0 BHADRO FC1(F)CC([NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000926283075 646610104 /nfs/dbraw/zinc/61/01/04/646610104.db2.gz HUDPADCTIDANLW-CYBMUJFWSA-N 1 0 243.341 3.733 20 0 BHADRO FC1(F)CC([NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000926283076 646609832 /nfs/dbraw/zinc/60/98/32/646609832.db2.gz HUDPADCTIDANLW-ZDUSSCGKSA-N 1 0 243.341 3.733 20 0 BHADRO CC1(C)[C@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCCC[C@@H]21 ZINC000926283350 646611308 /nfs/dbraw/zinc/61/13/08/646611308.db2.gz KKUDNNKAAOIJSE-GRYCIOLGSA-N 1 0 243.341 3.589 20 0 BHADRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000926283351 646611963 /nfs/dbraw/zinc/61/19/63/646611963.db2.gz KKUDNNKAAOIJSE-WOPDTQHZSA-N 1 0 243.341 3.589 20 0 BHADRO CC(C)C(C(C)C)[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000926283889 646611568 /nfs/dbraw/zinc/61/15/68/646611568.db2.gz QYUQXLPZWRNZNA-JTQLQIEISA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000926283890 646611676 /nfs/dbraw/zinc/61/16/76/646611676.db2.gz QYUQXLPZWRNZNA-SNVBAGLBSA-N 1 0 233.346 3.690 20 0 BHADRO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000926283899 646612025 /nfs/dbraw/zinc/61/20/25/646612025.db2.gz RBIXPHTZIKTDRG-MFKMUULPSA-N 1 0 243.341 3.899 20 0 BHADRO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000926283900 646611718 /nfs/dbraw/zinc/61/17/18/646611718.db2.gz RBIXPHTZIKTDRG-ZWNOBZJWSA-N 1 0 243.341 3.899 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)CC1CCCCC1)c1ncco1 ZINC000926300346 646613158 /nfs/dbraw/zinc/61/31/58/646613158.db2.gz BEJYDSGIUKEFMN-NWDGAFQWSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@@H](CC1CCCCC1)[NH2+][C@@H](C)c1ncco1 ZINC000926300348 646613102 /nfs/dbraw/zinc/61/31/02/646613102.db2.gz BEJYDSGIUKEFMN-RYUDHWBXSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)c1ncco1 ZINC000926304838 646615079 /nfs/dbraw/zinc/61/50/79/646615079.db2.gz BEJYDSGIUKEFMN-NEPJUHHUSA-N 1 0 236.359 3.684 20 0 BHADRO C[C@H](CC1CCCCC1)[NH2+][C@H](C)c1ncco1 ZINC000926304839 646614241 /nfs/dbraw/zinc/61/42/41/646614241.db2.gz BEJYDSGIUKEFMN-VXGBXAGGSA-N 1 0 236.359 3.684 20 0 BHADRO CC1(CC[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000926325832 646617439 /nfs/dbraw/zinc/61/74/39/646617439.db2.gz KXEVMVGMIPVHFC-HNNXBMFYSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(CC[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000926325836 646617825 /nfs/dbraw/zinc/61/78/25/646617825.db2.gz KXEVMVGMIPVHFC-OAHLLOKOSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1ncco1 ZINC000926332860 631704832 /nfs/dbraw/zinc/70/48/32/631704832.db2.gz AARKPZXBRRFGFY-LXVYMNJGSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1ncco1 ZINC000926332864 631704266 /nfs/dbraw/zinc/70/42/66/631704266.db2.gz AARKPZXBRRFGFY-MBHSVXNSSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1(Cl)CC1 ZINC000926344848 646622149 /nfs/dbraw/zinc/62/21/49/646622149.db2.gz YWBHVJSCSVTNLG-MRVWCRGKSA-N 1 0 249.785 3.682 20 0 BHADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1(Cl)CC1 ZINC000926344849 646621754 /nfs/dbraw/zinc/62/17/54/646621754.db2.gz YWBHVJSCSVTNLG-UBHSHLNASA-N 1 0 249.785 3.682 20 0 BHADRO FC1(F)CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926345958 646622637 /nfs/dbraw/zinc/62/26/37/646622637.db2.gz SSJVZVLEYOJHLL-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926345959 646621950 /nfs/dbraw/zinc/62/19/50/646621950.db2.gz SSJVZVLEYOJHLL-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO CC(C)(C[NH2+]C1CC2(C1)CCCC2)C(F)(F)F ZINC000926366376 646626361 /nfs/dbraw/zinc/62/63/61/646626361.db2.gz CRGFHBGFRDBHCY-UHFFFAOYSA-N 1 0 249.320 3.887 20 0 BHADRO CC(C)(C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C(F)(F)F ZINC000926368712 646628150 /nfs/dbraw/zinc/62/81/50/646628150.db2.gz YWNWUROWFPFDLD-AXFHLTTASA-N 1 0 247.304 3.519 20 0 BHADRO CC(C)(C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C(F)(F)F ZINC000926368713 646628732 /nfs/dbraw/zinc/62/87/32/646628732.db2.gz YWNWUROWFPFDLD-HBNTYKKESA-N 1 0 247.304 3.519 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC1 ZINC000926409113 646631338 /nfs/dbraw/zinc/63/13/38/646631338.db2.gz NVOCQYVJCMITKT-JTQLQIEISA-N 1 0 249.320 3.743 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC1 ZINC000926409116 646631221 /nfs/dbraw/zinc/63/12/21/646631221.db2.gz NVOCQYVJCMITKT-SNVBAGLBSA-N 1 0 249.320 3.743 20 0 BHADRO FC(F)(F)C1(C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000926410605 646631224 /nfs/dbraw/zinc/63/12/24/646631224.db2.gz VSRMKPHPOPEBSC-UHFFFAOYSA-N 1 0 247.304 3.641 20 0 BHADRO FC1(CC[NH2+]C2CC3(C2)CCCC3)CCC1 ZINC000926424201 646635681 /nfs/dbraw/zinc/63/56/81/646635681.db2.gz MZVGAANBAMIAAW-UHFFFAOYSA-N 1 0 225.351 3.581 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926451794 646641228 /nfs/dbraw/zinc/64/12/28/646641228.db2.gz BCUBHOFSDHUHBS-GRYCIOLGSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000926451795 646642332 /nfs/dbraw/zinc/64/23/32/646642332.db2.gz BCUBHOFSDHUHBS-IJLUTSLNSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000926451796 646642577 /nfs/dbraw/zinc/64/25/77/646642577.db2.gz BCUBHOFSDHUHBS-UTUOFQBUSA-N 1 0 247.338 3.507 20 0 BHADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926451797 646641578 /nfs/dbraw/zinc/64/15/78/646641578.db2.gz BCUBHOFSDHUHBS-WOPDTQHZSA-N 1 0 247.338 3.507 20 0 BHADRO CC[C@@H](C[NH2+][C@H](C)c1coc2ccccc12)OC ZINC000926462137 646647283 /nfs/dbraw/zinc/64/72/83/646647283.db2.gz VHKGASMLAWIMPS-NEPJUHHUSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](C[NH2+][C@@H](C)c1coc2ccccc21)OC ZINC000926462138 646648111 /nfs/dbraw/zinc/64/81/11/646648111.db2.gz VHKGASMLAWIMPS-NWDGAFQWSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@@H](C[NH2+][C@@H](C)c1coc2ccccc12)OC ZINC000926462139 632087754 /nfs/dbraw/zinc/08/77/54/632087754.db2.gz VHKGASMLAWIMPS-RYUDHWBXSA-N 1 0 247.338 3.508 20 0 BHADRO CC[C@H](C[NH2+][C@H](C)c1coc2ccccc12)OC ZINC000926462140 632088354 /nfs/dbraw/zinc/08/83/54/632088354.db2.gz VHKGASMLAWIMPS-VXGBXAGGSA-N 1 0 247.338 3.508 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1coc2ccccc12 ZINC000926462906 646649112 /nfs/dbraw/zinc/64/91/12/646649112.db2.gz FSBGBUPATLTBMO-LLVKDONJSA-N 1 0 235.302 3.833 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1coc2ccccc12 ZINC000926462907 646649325 /nfs/dbraw/zinc/64/93/25/646649325.db2.gz FSBGBUPATLTBMO-NSHDSACASA-N 1 0 235.302 3.833 20 0 BHADRO C[C@@H]([NH2+]CCCCF)c1cc2ccccc2[nH]1 ZINC000926464780 646651237 /nfs/dbraw/zinc/65/12/37/646651237.db2.gz XQEJFDKYKFYHSB-LLVKDONJSA-N 1 0 234.318 3.568 20 0 BHADRO C[C@H]([NH2+]CCCCF)c1cc2ccccc2[nH]1 ZINC000926464782 646650315 /nfs/dbraw/zinc/65/03/15/646650315.db2.gz XQEJFDKYKFYHSB-NSHDSACASA-N 1 0 234.318 3.568 20 0 BHADRO Cc1ccoc1C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000926470277 711607628 /nfs/dbraw/zinc/60/76/28/711607628.db2.gz JGUREEGCYCXBHL-AWEZNQCLSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccoc1C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000926470282 711607588 /nfs/dbraw/zinc/60/75/88/711607588.db2.gz JGUREEGCYCXBHL-CQSZACIVSA-N 1 0 241.334 3.674 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000926482635 646656217 /nfs/dbraw/zinc/65/62/17/646656217.db2.gz ASUBKVGESZRTHP-KKUMJFAQSA-N 1 0 246.398 3.571 20 0 BHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000926482636 646655887 /nfs/dbraw/zinc/65/58/87/646655887.db2.gz ASUBKVGESZRTHP-RBSFLKMASA-N 1 0 246.398 3.571 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926485112 632120725 /nfs/dbraw/zinc/12/07/25/632120725.db2.gz HWQCOKXRSRRUGO-GHMZBOCLSA-N 1 0 234.318 3.567 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926485113 632121376 /nfs/dbraw/zinc/12/13/76/632121376.db2.gz HWQCOKXRSRRUGO-MNOVXSKESA-N 1 0 234.318 3.567 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926485114 632121714 /nfs/dbraw/zinc/12/17/14/632121714.db2.gz HWQCOKXRSRRUGO-QWRGUYRKSA-N 1 0 234.318 3.567 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc2ccccc2[nH]1 ZINC000926485115 632120119 /nfs/dbraw/zinc/12/01/19/632120119.db2.gz HWQCOKXRSRRUGO-WDEREUQCSA-N 1 0 234.318 3.567 20 0 BHADRO C[C@@H](F)CC[NH2+][C@H](C)c1coc2ccccc12 ZINC000926487397 646658991 /nfs/dbraw/zinc/65/89/91/646658991.db2.gz XQKFMPVEEGDEGZ-GHMZBOCLSA-N 1 0 235.302 3.832 20 0 BHADRO C[C@@H](F)CC[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926487398 646659855 /nfs/dbraw/zinc/65/98/55/646659855.db2.gz XQKFMPVEEGDEGZ-MNOVXSKESA-N 1 0 235.302 3.832 20 0 BHADRO C[C@H](F)CC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000926487399 646659014 /nfs/dbraw/zinc/65/90/14/646659014.db2.gz XQKFMPVEEGDEGZ-QWRGUYRKSA-N 1 0 235.302 3.832 20 0 BHADRO C[C@@H]([NH2+]CC[C@H](C)F)c1coc2ccccc12 ZINC000926487400 632128399 /nfs/dbraw/zinc/12/83/99/632128399.db2.gz XQKFMPVEEGDEGZ-WDEREUQCSA-N 1 0 235.302 3.832 20 0 BHADRO C[C@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926487929 646659500 /nfs/dbraw/zinc/65/95/00/646659500.db2.gz ZSEUWXTTXMQBRJ-FPMFFAJLSA-N 1 0 249.785 3.682 20 0 BHADRO C[C@@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926487931 646658819 /nfs/dbraw/zinc/65/88/19/646658819.db2.gz ZSEUWXTTXMQBRJ-KWCYVHTRSA-N 1 0 249.785 3.682 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)c1ncco1 ZINC000926488368 632126820 /nfs/dbraw/zinc/12/68/20/632126820.db2.gz AXKBBCQRQCPCRN-UBHSHLNASA-N 1 0 248.370 3.542 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)c1ncco1 ZINC000926488369 632128681 /nfs/dbraw/zinc/12/86/81/632128681.db2.gz AXKBBCQRQCPCRN-XBFCOCLRSA-N 1 0 248.370 3.542 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926489427 646659592 /nfs/dbraw/zinc/65/95/92/646659592.db2.gz IEDQGCUKXUCFIJ-UBHSHLNASA-N 1 0 249.785 3.540 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926489430 646659357 /nfs/dbraw/zinc/65/93/57/646659357.db2.gz IEDQGCUKXUCFIJ-XBFCOCLRSA-N 1 0 249.785 3.540 20 0 BHADRO Cc1cccc2c1[C@H]([NH2+]CCC(C)(F)F)CC2 ZINC000926496050 646661969 /nfs/dbraw/zinc/66/19/69/646661969.db2.gz YZPZDDDOHPJJKC-GFCCVEGCSA-N 1 0 239.309 3.617 20 0 BHADRO Cc1cccc2c1[C@@H]([NH2+]CCC(C)(F)F)CC2 ZINC000926496051 646662681 /nfs/dbraw/zinc/66/26/81/646662681.db2.gz YZPZDDDOHPJJKC-LBPRGKRZSA-N 1 0 239.309 3.617 20 0 BHADRO CCC1([NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000926511000 646669140 /nfs/dbraw/zinc/66/91/40/646669140.db2.gz FSUABBKWUUKZCR-LLVKDONJSA-N 1 0 228.339 3.761 20 0 BHADRO CCC1([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000926511001 646669860 /nfs/dbraw/zinc/66/98/60/646669860.db2.gz FSUABBKWUUKZCR-NSHDSACASA-N 1 0 228.339 3.761 20 0 BHADRO CCC1([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000926513369 632413812 /nfs/dbraw/zinc/41/38/12/632413812.db2.gz ORUOYORIXIEFJY-GFCCVEGCSA-N 1 0 247.382 3.507 20 0 BHADRO CCC1([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000926513370 632413756 /nfs/dbraw/zinc/41/37/56/632413756.db2.gz ORUOYORIXIEFJY-LBPRGKRZSA-N 1 0 247.382 3.507 20 0 BHADRO CCC[C@@H]([NH2+][C@H](C)c1ncco1)C(C)(C)C ZINC000926514161 645246614 /nfs/dbraw/zinc/24/66/14/645246614.db2.gz CWWVXNLHXSFZOG-GHMZBOCLSA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@H]([NH2+][C@H](C)c1ncco1)C(C)(C)C ZINC000926514162 645247047 /nfs/dbraw/zinc/24/70/47/645247047.db2.gz CWWVXNLHXSFZOG-MNOVXSKESA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@H]([NH2+][C@@H](C)c1ncco1)C(C)(C)C ZINC000926514163 645247753 /nfs/dbraw/zinc/24/77/53/645247753.db2.gz CWWVXNLHXSFZOG-QWRGUYRKSA-N 1 0 224.348 3.540 20 0 BHADRO CCC[C@@H]([NH2+][C@@H](C)c1ncco1)C(C)(C)C ZINC000926514164 645248030 /nfs/dbraw/zinc/24/80/30/645248030.db2.gz CWWVXNLHXSFZOG-WDEREUQCSA-N 1 0 224.348 3.540 20 0 BHADRO CC/C=C\C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926516927 645249322 /nfs/dbraw/zinc/24/93/22/645249322.db2.gz QFZMLWBOFSWCGO-FMFIFOJESA-N 1 0 247.382 3.531 20 0 BHADRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926516928 645250025 /nfs/dbraw/zinc/25/00/25/645250025.db2.gz QFZMLWBOFSWCGO-FWWRYZNZSA-N 1 0 247.382 3.531 20 0 BHADRO CC/C=C/C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926516929 645248865 /nfs/dbraw/zinc/24/88/65/645248865.db2.gz QFZMLWBOFSWCGO-KTRBRXNASA-N 1 0 247.382 3.531 20 0 BHADRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926516930 645248768 /nfs/dbraw/zinc/24/87/68/645248768.db2.gz QFZMLWBOFSWCGO-YBJDMEARSA-N 1 0 247.382 3.531 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000926520508 645253628 /nfs/dbraw/zinc/25/36/28/645253628.db2.gz KFKWOARJXXMIJA-INWMFGNUSA-N 1 0 244.382 3.559 20 0 BHADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000926520510 645252046 /nfs/dbraw/zinc/25/20/46/645252046.db2.gz KFKWOARJXXMIJA-IVMMDQJWSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)C1CCC1)c1ccns1 ZINC000926523051 711623525 /nfs/dbraw/zinc/62/35/25/711623525.db2.gz ZBVNVOGAMIFEAG-JTQLQIEISA-N 1 0 238.400 3.620 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)C1CCC1)c1ccns1 ZINC000926523052 711623908 /nfs/dbraw/zinc/62/39/08/711623908.db2.gz ZBVNVOGAMIFEAG-SNVBAGLBSA-N 1 0 238.400 3.620 20 0 BHADRO FC1(F)CCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926526290 645253891 /nfs/dbraw/zinc/25/38/91/645253891.db2.gz ZHYGCYKMONGPPT-LLVKDONJSA-N 1 0 243.341 3.734 20 0 BHADRO FC1(F)CCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926526291 645255266 /nfs/dbraw/zinc/25/52/66/645255266.db2.gz ZHYGCYKMONGPPT-NSHDSACASA-N 1 0 243.341 3.734 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000926549059 645270774 /nfs/dbraw/zinc/27/07/74/645270774.db2.gz DYDBUBPRRAPWJZ-MROQNXINSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000926549061 645270892 /nfs/dbraw/zinc/27/08/92/645270892.db2.gz DYDBUBPRRAPWJZ-VOAKCMCISA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000926549063 645271541 /nfs/dbraw/zinc/27/15/41/645271541.db2.gz DYDBUBPRRAPWJZ-XQHKEYJVSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncco1 ZINC000926549065 645270466 /nfs/dbraw/zinc/27/04/66/645270466.db2.gz DYDBUBPRRAPWJZ-YVECIDJPSA-N 1 0 236.359 3.540 20 0 BHADRO FC1(F)CC(CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926557182 645280399 /nfs/dbraw/zinc/28/03/99/645280399.db2.gz JAIWNENOVUGZFM-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO Cc1ccc(C[NH2+]C2CC3(C2)CCCC3)nc1C ZINC000926569485 645291039 /nfs/dbraw/zinc/29/10/39/645291039.db2.gz ROLIVXZXHRQYJA-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)C1CC(F)(F)C1 ZINC000926571923 645290806 /nfs/dbraw/zinc/29/08/06/645290806.db2.gz ALEVAUBDIIXJPV-JTQLQIEISA-N 1 0 243.341 3.733 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)C1CC(F)(F)C1 ZINC000926571925 645289586 /nfs/dbraw/zinc/28/95/86/645289586.db2.gz ALEVAUBDIIXJPV-SNVBAGLBSA-N 1 0 243.341 3.733 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccns1 ZINC000926571981 645290190 /nfs/dbraw/zinc/29/01/90/645290190.db2.gz BCVKWHXFACHVME-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccns1 ZINC000926571983 645289943 /nfs/dbraw/zinc/28/99/43/645289943.db2.gz BCVKWHXFACHVME-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H](C[NH2+]C1[C@@H](C)CC[C@@H]1C)CC(F)(F)F ZINC000926582628 632590366 /nfs/dbraw/zinc/59/03/66/632590366.db2.gz AWEJZXRGUFWFPI-GUBZILKMSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+]C1[C@H](C)CC[C@H]1C)CC(F)(F)F ZINC000926582630 632589045 /nfs/dbraw/zinc/58/90/45/632589045.db2.gz AWEJZXRGUFWFPI-IVZWLZJFSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)CC(F)(F)F ZINC000926582634 632588814 /nfs/dbraw/zinc/58/88/14/632588814.db2.gz AWEJZXRGUFWFPI-UKKRHICBSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)CC(F)(F)F ZINC000926582636 632589829 /nfs/dbraw/zinc/58/98/29/632589829.db2.gz AWEJZXRGUFWFPI-ZNSHCXBVSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)(F)F ZINC000926582691 632588978 /nfs/dbraw/zinc/58/89/78/632588978.db2.gz BLSXTLDMTBMGJZ-KXNHARMFSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)(F)F ZINC000926582692 632588360 /nfs/dbraw/zinc/58/83/60/632588360.db2.gz BLSXTLDMTBMGJZ-NNYUYHANSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)(F)F ZINC000926582695 632588878 /nfs/dbraw/zinc/58/88/78/632588878.db2.gz BLSXTLDMTBMGJZ-WRWGMCAJSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)(F)F ZINC000926582698 632588397 /nfs/dbraw/zinc/58/83/97/632588397.db2.gz BLSXTLDMTBMGJZ-YFKTTZPYSA-N 1 0 247.304 3.519 20 0 BHADRO C[C@H](C[NH2+]C1CC2(C1)CCCC2)CC(F)(F)F ZINC000926584249 632592244 /nfs/dbraw/zinc/59/22/44/632592244.db2.gz JPVSAEDEQYFSHA-JTQLQIEISA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(C1)CCCC2)CC(F)(F)F ZINC000926584256 632591960 /nfs/dbraw/zinc/59/19/60/632591960.db2.gz JPVSAEDEQYFSHA-SNVBAGLBSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1ncco1 ZINC000926589643 632598537 /nfs/dbraw/zinc/59/85/37/632598537.db2.gz AXYYGHTZAJIYFW-QJPTWQEYSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1ncco1 ZINC000926589644 632598364 /nfs/dbraw/zinc/59/83/64/632598364.db2.gz AXYYGHTZAJIYFW-SDDRHHMPSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1ncco1 ZINC000926589645 632598053 /nfs/dbraw/zinc/59/80/53/632598053.db2.gz AXYYGHTZAJIYFW-SRVKXCTJSA-N 1 0 236.359 3.540 20 0 BHADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1ncco1 ZINC000926589646 632598344 /nfs/dbraw/zinc/59/83/44/632598344.db2.gz AXYYGHTZAJIYFW-TUAOUCFPSA-N 1 0 236.359 3.540 20 0 BHADRO Cc1cc(C[NH2+]C2CC3(C2)CCCC3)cc(C)n1 ZINC000926598637 632609666 /nfs/dbraw/zinc/60/96/66/632609666.db2.gz BKGZJPMSMPSGHJ-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@H]([NH2+][C@H]1CC12CC2)c1coc2ccccc12 ZINC000926614128 645313327 /nfs/dbraw/zinc/31/33/27/645313327.db2.gz HJIQDOCACAQERT-HZMBPMFUSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@H]([NH2+][C@@H]1CC12CC2)c1coc2ccccc12 ZINC000926614130 645314738 /nfs/dbraw/zinc/31/47/38/645314738.db2.gz HJIQDOCACAQERT-IINYFYTJSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1coc2ccccc12 ZINC000926614131 645313201 /nfs/dbraw/zinc/31/32/01/645313201.db2.gz HJIQDOCACAQERT-QMTHXVAHSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@@H]([NH2+][C@H]1CC12CC2)c1coc2ccccc12 ZINC000926614132 645313766 /nfs/dbraw/zinc/31/37/66/645313766.db2.gz HJIQDOCACAQERT-YGRLFVJLSA-N 1 0 227.307 3.636 20 0 BHADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2ccccc2[nH]1 ZINC000926617321 645318645 /nfs/dbraw/zinc/31/86/45/645318645.db2.gz ONZRJMQPYKETLB-DEQVHRJGSA-N 1 0 240.350 3.617 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc2ccccc2[nH]1 ZINC000926617325 645319190 /nfs/dbraw/zinc/31/91/90/645319190.db2.gz ONZRJMQPYKETLB-RUZUBIRVSA-N 1 0 240.350 3.617 20 0 BHADRO Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000926617406 632709866 /nfs/dbraw/zinc/70/98/66/632709866.db2.gz XXQLICXXHUWXRB-HZMBPMFUSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000926617408 632710043 /nfs/dbraw/zinc/71/00/43/632710043.db2.gz XXQLICXXHUWXRB-IINYFYTJSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000926617412 632709794 /nfs/dbraw/zinc/70/97/94/632709794.db2.gz XXQLICXXHUWXRB-QMTHXVAHSA-N 1 0 241.334 3.944 20 0 BHADRO Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000926617421 632710574 /nfs/dbraw/zinc/71/05/74/632710574.db2.gz XXQLICXXHUWXRB-YGRLFVJLSA-N 1 0 241.334 3.944 20 0 BHADRO C[C@H](C[NH2+]C1CC2(C1)CCCC2)CC(F)F ZINC000926628867 645323853 /nfs/dbraw/zinc/32/38/53/645323853.db2.gz VKNSIUJDVBNUSR-JTQLQIEISA-N 1 0 231.330 3.590 20 0 BHADRO C[C@@H](C[NH2+]C1CC2(C1)CCCC2)CC(F)F ZINC000926628868 645322412 /nfs/dbraw/zinc/32/24/12/645322412.db2.gz VKNSIUJDVBNUSR-SNVBAGLBSA-N 1 0 231.330 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1(Cl)CC1 ZINC000926630593 645323445 /nfs/dbraw/zinc/32/34/45/645323445.db2.gz IEDQGCUKXUCFIJ-IACUBPJLSA-N 1 0 249.785 3.540 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1(Cl)CC1 ZINC000926630594 645323031 /nfs/dbraw/zinc/32/30/31/645323031.db2.gz IEDQGCUKXUCFIJ-MRVWCRGKSA-N 1 0 249.785 3.540 20 0 BHADRO C[C@@H]([NH2+][C@@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633175 645326137 /nfs/dbraw/zinc/32/61/37/645326137.db2.gz LGIKQGBJEXZBQK-BXUZGUMPSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+][C@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633176 645325631 /nfs/dbraw/zinc/32/56/31/645325631.db2.gz LGIKQGBJEXZBQK-FZMZJTMJSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@@H]([NH2+][C@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633177 645324321 /nfs/dbraw/zinc/32/43/21/645324321.db2.gz LGIKQGBJEXZBQK-RISCZKNCSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+][C@@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633178 645325703 /nfs/dbraw/zinc/32/57/03/645325703.db2.gz LGIKQGBJEXZBQK-SMDDNHRTSA-N 1 0 248.370 3.684 20 0 BHADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000926649510 645333552 /nfs/dbraw/zinc/33/35/52/645333552.db2.gz KGZWKJLSLIVMTI-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000926649511 645334538 /nfs/dbraw/zinc/33/45/38/645334538.db2.gz KGZWKJLSLIVMTI-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)C(C)(C)C ZINC000926658931 645341730 /nfs/dbraw/zinc/34/17/30/645341730.db2.gz OIPGBPZNPCDRDC-NWDGAFQWSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000926658932 645342186 /nfs/dbraw/zinc/34/21/86/645342186.db2.gz OIPGBPZNPCDRDC-VXGBXAGGSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cc(O)cc(F)c1 ZINC000926659861 645342583 /nfs/dbraw/zinc/34/25/83/645342583.db2.gz HXXAVWALYGVNIQ-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cc(O)cc(F)c1 ZINC000926659862 632785329 /nfs/dbraw/zinc/78/53/29/632785329.db2.gz HXXAVWALYGVNIQ-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)C(C)(C)C ZINC000926660387 645342120 /nfs/dbraw/zinc/34/21/20/645342120.db2.gz UDFMKAJDBHEVLH-NWDGAFQWSA-N 1 0 249.402 3.693 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccnn1C1CCC1 ZINC000926660388 645342593 /nfs/dbraw/zinc/34/25/93/645342593.db2.gz UDFMKAJDBHEVLH-VXGBXAGGSA-N 1 0 249.402 3.693 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000926687141 645358590 /nfs/dbraw/zinc/35/85/90/645358590.db2.gz SBGLHUQUFHJYBV-NXEZZACHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000926687142 645351973 /nfs/dbraw/zinc/35/19/73/645351973.db2.gz SBGLHUQUFHJYBV-UWVGGRQHSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000926687143 645352581 /nfs/dbraw/zinc/35/25/81/645352581.db2.gz SBGLHUQUFHJYBV-VHSXEESVSA-N 1 0 226.389 3.618 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000926687144 645353135 /nfs/dbraw/zinc/35/31/35/645353135.db2.gz SBGLHUQUFHJYBV-ZJUUUORDSA-N 1 0 226.389 3.618 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926688835 645357618 /nfs/dbraw/zinc/35/76/18/645357618.db2.gz HNOYTOQADIDLDK-CHWSQXEVSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926688836 645356921 /nfs/dbraw/zinc/35/69/21/645356921.db2.gz HNOYTOQADIDLDK-OLZOCXBDSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926688837 632825753 /nfs/dbraw/zinc/82/57/53/632825753.db2.gz HNOYTOQADIDLDK-QWHCGFSZSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926688838 632825468 /nfs/dbraw/zinc/82/54/68/632825468.db2.gz HNOYTOQADIDLDK-STQMWFEESA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926690016 645359703 /nfs/dbraw/zinc/35/97/03/645359703.db2.gz PNVCHCWTAGQWAA-CHWSQXEVSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926690017 645361227 /nfs/dbraw/zinc/36/12/27/645361227.db2.gz PNVCHCWTAGQWAA-OLZOCXBDSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)CC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926690018 645359651 /nfs/dbraw/zinc/35/96/51/645359651.db2.gz PNVCHCWTAGQWAA-QWHCGFSZSA-N 1 0 249.402 3.695 20 0 BHADRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926690019 645360446 /nfs/dbraw/zinc/36/04/46/645360446.db2.gz PNVCHCWTAGQWAA-STQMWFEESA-N 1 0 249.402 3.695 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCC2)c1cscn1 ZINC000926691491 632827344 /nfs/dbraw/zinc/82/73/44/632827344.db2.gz IEOWIVSSTOOUEQ-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1cscn1 ZINC000926691492 632827118 /nfs/dbraw/zinc/82/71/18/632827118.db2.gz IEOWIVSSTOOUEQ-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926692441 711668166 /nfs/dbraw/zinc/66/81/66/711668166.db2.gz XQRNFTBIWNNQCW-AAEUAGOBSA-N 1 0 226.323 3.537 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926692442 711668021 /nfs/dbraw/zinc/66/80/21/711668021.db2.gz XQRNFTBIWNNQCW-DGCLKSJQSA-N 1 0 226.323 3.537 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926692443 711668211 /nfs/dbraw/zinc/66/82/11/711668211.db2.gz XQRNFTBIWNNQCW-WCQYABFASA-N 1 0 226.323 3.537 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926692444 711668191 /nfs/dbraw/zinc/66/81/91/711668191.db2.gz XQRNFTBIWNNQCW-YPMHNXCESA-N 1 0 226.323 3.537 20 0 BHADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926700547 645368142 /nfs/dbraw/zinc/36/81/42/645368142.db2.gz GJNLTEDDEWGLLF-LLVKDONJSA-N 1 0 248.345 3.957 20 0 BHADRO C[C@H]([NH2+]CCC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926700548 645367603 /nfs/dbraw/zinc/36/76/03/645367603.db2.gz GJNLTEDDEWGLLF-NSHDSACASA-N 1 0 248.345 3.957 20 0 BHADRO CC(C)(F)CC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926703662 632843191 /nfs/dbraw/zinc/84/31/91/632843191.db2.gz VKWDPPNMNCKHBM-LLVKDONJSA-N 1 0 215.356 3.539 20 0 BHADRO CC(C)(F)CC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926703675 632842680 /nfs/dbraw/zinc/84/26/80/632842680.db2.gz VKWDPPNMNCKHBM-NSHDSACASA-N 1 0 215.356 3.539 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC1CCC1 ZINC000926705551 645370057 /nfs/dbraw/zinc/37/00/57/645370057.db2.gz OURADNFSVVWDSY-CYBMUJFWSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC1CCC1 ZINC000926705553 645370096 /nfs/dbraw/zinc/37/00/96/645370096.db2.gz OURADNFSVVWDSY-ZDUSSCGKSA-N 1 0 248.370 3.530 20 0 BHADRO C[C@@]1(CC[NH2+]C2CC3(C2)CCCC3)CC1(F)F ZINC000926705564 632845866 /nfs/dbraw/zinc/84/58/66/632845866.db2.gz OZTKRUICGYWOKU-GFCCVEGCSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@]1(CC[NH2+]C2CC3(C2)CCCC3)CC1(F)F ZINC000926705566 632845907 /nfs/dbraw/zinc/84/59/07/632845907.db2.gz OZTKRUICGYWOKU-LBPRGKRZSA-N 1 0 243.341 3.734 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC1 ZINC000926706695 632846975 /nfs/dbraw/zinc/84/69/75/632846975.db2.gz WQJQKRXCIQLVRE-AAEUAGOBSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC1 ZINC000926706696 632847263 /nfs/dbraw/zinc/84/72/63/632847263.db2.gz WQJQKRXCIQLVRE-DGCLKSJQSA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC1 ZINC000926706697 632847916 /nfs/dbraw/zinc/84/79/16/632847916.db2.gz WQJQKRXCIQLVRE-WCQYABFASA-N 1 0 245.357 3.836 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC1 ZINC000926706698 632846616 /nfs/dbraw/zinc/84/66/16/632846616.db2.gz WQJQKRXCIQLVRE-YPMHNXCESA-N 1 0 245.357 3.836 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1(Cl)CC1 ZINC000926715645 645378976 /nfs/dbraw/zinc/37/89/76/645378976.db2.gz POXHTQNBBFGSEH-DMOGRIERSA-N 1 0 247.785 3.653 20 0 BHADRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)C1CCC(F)CC1 ZINC000926715646 645378452 /nfs/dbraw/zinc/37/84/52/645378452.db2.gz POXHTQNBBFGSEH-JYBOHDQNSA-N 1 0 247.785 3.653 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)C1CCC(F)CC1 ZINC000926715647 645377638 /nfs/dbraw/zinc/37/76/38/645377638.db2.gz POXHTQNBBFGSEH-QKEWWQLBSA-N 1 0 247.785 3.653 20 0 BHADRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)C1CCC(F)CC1 ZINC000926715648 645379435 /nfs/dbraw/zinc/37/94/35/645379435.db2.gz POXHTQNBBFGSEH-QYNFOATHSA-N 1 0 247.785 3.653 20 0 BHADRO CC1(C)[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1(F)F ZINC000926717852 645380267 /nfs/dbraw/zinc/38/02/67/645380267.db2.gz ISRSBUIIJHOZMQ-LLVKDONJSA-N 1 0 243.341 3.590 20 0 BHADRO CC1(C)[C@H](C[NH2+]C2CC3(C2)CCCC3)C1(F)F ZINC000926717853 645381258 /nfs/dbraw/zinc/38/12/58/645381258.db2.gz ISRSBUIIJHOZMQ-NSHDSACASA-N 1 0 243.341 3.590 20 0 BHADRO CC(C)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000926724234 645386792 /nfs/dbraw/zinc/38/67/92/645386792.db2.gz JKGDJCBYSRYLPZ-YHWZYXNKSA-N 1 0 239.428 3.581 20 0 BHADRO CC(C)CC1([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000926726914 645388948 /nfs/dbraw/zinc/38/89/48/645388948.db2.gz VLCBBXNYBYKMOS-JTQLQIEISA-N 1 0 231.330 3.589 20 0 BHADRO CC(C)CC1([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000926726916 645384643 /nfs/dbraw/zinc/38/46/43/645384643.db2.gz VLCBBXNYBYKMOS-SNVBAGLBSA-N 1 0 231.330 3.589 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]C1(CC(C)C)CC1 ZINC000926727318 632889141 /nfs/dbraw/zinc/88/91/41/632889141.db2.gz XOUOEPGPBRXEAY-GFCCVEGCSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1(CC(C)C)CC1 ZINC000926727322 632890046 /nfs/dbraw/zinc/89/00/46/632890046.db2.gz XOUOEPGPBRXEAY-LBPRGKRZSA-N 1 0 248.370 3.529 20 0 BHADRO c1coc(CCC[NH2+]C2CC3(C2)CCCC3)c1 ZINC000926729378 632896443 /nfs/dbraw/zinc/89/64/43/632896443.db2.gz XCASGTYRBRWTKI-UHFFFAOYSA-N 1 0 233.355 3.525 20 0 BHADRO CC1CC(C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926737513 645394955 /nfs/dbraw/zinc/39/49/55/645394955.db2.gz NOJIZKMHRMVSAR-SEEARECTSA-N 1 0 244.382 3.559 20 0 BHADRO CC1CC(C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926737514 645394438 /nfs/dbraw/zinc/39/44/38/645394438.db2.gz NOJIZKMHRMVSAR-ZUEPYMLJSA-N 1 0 244.382 3.559 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ncco1 ZINC000926740533 645397582 /nfs/dbraw/zinc/39/75/82/645397582.db2.gz FJZUKYZTUDSYCJ-NEPJUHHUSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ncco1 ZINC000926740534 645397177 /nfs/dbraw/zinc/39/71/77/645397177.db2.gz FJZUKYZTUDSYCJ-NWDGAFQWSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1ncco1 ZINC000926740535 645398636 /nfs/dbraw/zinc/39/86/36/645398636.db2.gz FJZUKYZTUDSYCJ-RYUDHWBXSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)c1ncco1 ZINC000926740536 645398213 /nfs/dbraw/zinc/39/82/13/645398213.db2.gz FJZUKYZTUDSYCJ-VXGBXAGGSA-N 1 0 236.359 3.542 20 0 BHADRO C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)c1ncco1 ZINC000926744093 632942347 /nfs/dbraw/zinc/94/23/47/632942347.db2.gz CHYJOZPZUGSOJV-LLVKDONJSA-N 1 0 248.370 3.542 20 0 BHADRO C[C@H]([NH2+]CC(C1CCC1)C1CCC1)c1ncco1 ZINC000926744105 632941762 /nfs/dbraw/zinc/94/17/62/632941762.db2.gz CHYJOZPZUGSOJV-NSHDSACASA-N 1 0 248.370 3.542 20 0 BHADRO C[C@@H]([NH2+]CC1CC=CC1)c1cc2ccccc2[nH]1 ZINC000926744114 645397436 /nfs/dbraw/zinc/39/74/36/645397436.db2.gz GWYUWQQJKAGIHV-GFCCVEGCSA-N 1 0 240.350 3.785 20 0 BHADRO C[C@H]([NH2+]CC1CC=CC1)c1cc2ccccc2[nH]1 ZINC000926744118 645398392 /nfs/dbraw/zinc/39/83/92/645398392.db2.gz GWYUWQQJKAGIHV-LBPRGKRZSA-N 1 0 240.350 3.785 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CC=CCC1 ZINC000926759428 645407310 /nfs/dbraw/zinc/40/73/10/645407310.db2.gz KYWMJMAJJOTYQN-BXUZGUMPSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000926759430 645408964 /nfs/dbraw/zinc/40/89/64/645408964.db2.gz KYWMJMAJJOTYQN-FZMZJTMJSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000926759431 645407124 /nfs/dbraw/zinc/40/71/24/645407124.db2.gz KYWMJMAJJOTYQN-RISCZKNCSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC[C@@H]1CC=CCC1 ZINC000926759432 645407786 /nfs/dbraw/zinc/40/77/86/645407786.db2.gz KYWMJMAJJOTYQN-SMDDNHRTSA-N 1 0 248.370 3.688 20 0 BHADRO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccns1 ZINC000926759649 645409005 /nfs/dbraw/zinc/40/90/05/645409005.db2.gz MKISBVLQNUJBHL-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccns1 ZINC000926759650 645408784 /nfs/dbraw/zinc/40/87/84/645408784.db2.gz MKISBVLQNUJBHL-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC[C@H]1CC=CCC1)c1ccns1 ZINC000926759651 645407387 /nfs/dbraw/zinc/40/73/87/645407387.db2.gz MKISBVLQNUJBHL-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccns1 ZINC000926759652 645407876 /nfs/dbraw/zinc/40/78/76/645407876.db2.gz MKISBVLQNUJBHL-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO C/C=C\C[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926770965 645417467 /nfs/dbraw/zinc/41/74/67/645417467.db2.gz XGYUQUYXOCTKBX-FHMRSRPSSA-N 1 0 238.762 3.742 20 0 BHADRO C/C=C\C[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926770966 645417965 /nfs/dbraw/zinc/41/79/65/645417965.db2.gz XGYUQUYXOCTKBX-KTLBGCOUSA-N 1 0 238.762 3.742 20 0 BHADRO C/C=C/C[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926770967 645416483 /nfs/dbraw/zinc/41/64/83/645416483.db2.gz XGYUQUYXOCTKBX-OGOUPESXSA-N 1 0 238.762 3.742 20 0 BHADRO C/C=C/C[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926770968 645416699 /nfs/dbraw/zinc/41/66/99/645416699.db2.gz XGYUQUYXOCTKBX-PYEVWLCESA-N 1 0 238.762 3.742 20 0 BHADRO C/C=C/C[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926771016 633017430 /nfs/dbraw/zinc/01/74/30/633017430.db2.gz XVRIEYWSTBAPDM-AAOUONPWSA-N 1 0 242.322 3.568 20 0 BHADRO C/C=C\C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926771020 633017575 /nfs/dbraw/zinc/01/75/75/633017575.db2.gz XVRIEYWSTBAPDM-MVZIDQBPSA-N 1 0 242.322 3.568 20 0 BHADRO C/C=C/C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926771026 633018448 /nfs/dbraw/zinc/01/84/48/633018448.db2.gz XVRIEYWSTBAPDM-PCAWENJQSA-N 1 0 242.322 3.568 20 0 BHADRO C/C=C\C[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926771030 633017066 /nfs/dbraw/zinc/01/70/66/633017066.db2.gz XVRIEYWSTBAPDM-VSQXVHSFSA-N 1 0 242.322 3.568 20 0 BHADRO C[C@H]([NH2+]C1CC2(C1)CCCC2)c1ccns1 ZINC000926775036 645421814 /nfs/dbraw/zinc/42/18/14/645421814.db2.gz VDQGQDOVKMCXKS-JTQLQIEISA-N 1 0 236.384 3.517 20 0 BHADRO C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1ccns1 ZINC000926775037 645422651 /nfs/dbraw/zinc/42/26/51/645422651.db2.gz VDQGQDOVKMCXKS-SNVBAGLBSA-N 1 0 236.384 3.517 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000926777123 633042933 /nfs/dbraw/zinc/04/29/33/633042933.db2.gz YXMAMVQNWHJJCO-GWCFXTLKSA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000926777131 633042366 /nfs/dbraw/zinc/04/23/66/633042366.db2.gz YXMAMVQNWHJJCO-GXFFZTMASA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000926777140 633043173 /nfs/dbraw/zinc/04/31/73/633043173.db2.gz YXMAMVQNWHJJCO-MFKMUULPSA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000926777143 633043470 /nfs/dbraw/zinc/04/34/70/633043470.db2.gz YXMAMVQNWHJJCO-ZWNOBZJWSA-N 1 0 248.370 3.522 20 0 BHADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc(O)cc(F)c1 ZINC000926778112 645425595 /nfs/dbraw/zinc/42/55/95/645425595.db2.gz ASTMGYWMWCLOML-HZMBPMFUSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc(O)cc(F)c1 ZINC000926778113 633046322 /nfs/dbraw/zinc/04/63/22/633046322.db2.gz ASTMGYWMWCLOML-IINYFYTJSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc(O)cc(F)c1 ZINC000926778114 633046241 /nfs/dbraw/zinc/04/62/41/633046241.db2.gz ASTMGYWMWCLOML-QMTHXVAHSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc(O)cc(F)c1 ZINC000926778115 633045826 /nfs/dbraw/zinc/04/58/26/633045826.db2.gz ASTMGYWMWCLOML-YGRLFVJLSA-N 1 0 249.329 3.515 20 0 BHADRO C[C@H]([NH2+]CC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926779306 645427707 /nfs/dbraw/zinc/42/77/07/645427707.db2.gz HGWMQCPTTVPPSR-JTQLQIEISA-N 1 0 234.318 3.567 20 0 BHADRO C[C@@H]([NH2+]CC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926779307 645429328 /nfs/dbraw/zinc/42/93/28/645429328.db2.gz HGWMQCPTTVPPSR-SNVBAGLBSA-N 1 0 234.318 3.567 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000926780323 633053391 /nfs/dbraw/zinc/05/33/91/633053391.db2.gz ZQCIXLRXBQZYPX-AAEUAGOBSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000926780324 633053431 /nfs/dbraw/zinc/05/34/31/633053431.db2.gz ZQCIXLRXBQZYPX-DGCLKSJQSA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000926780325 633054188 /nfs/dbraw/zinc/05/41/88/633054188.db2.gz ZQCIXLRXBQZYPX-WCQYABFASA-N 1 0 241.444 3.544 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000926780326 633054900 /nfs/dbraw/zinc/05/49/00/633054900.db2.gz ZQCIXLRXBQZYPX-YPMHNXCESA-N 1 0 241.444 3.544 20 0 BHADRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(C)c32)o1 ZINC000926789820 645433226 /nfs/dbraw/zinc/43/32/26/645433226.db2.gz VBNJJQOOQBYIGI-HNNXBMFYSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(C)c32)o1 ZINC000926789822 645432985 /nfs/dbraw/zinc/43/29/85/645432985.db2.gz VBNJJQOOQBYIGI-OAHLLOKOSA-N 1 0 241.334 3.674 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)CC1CCC1 ZINC000926791271 645434977 /nfs/dbraw/zinc/43/49/77/645434977.db2.gz QVJXOMMJGMXYQI-GWCFXTLKSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](C)CC1CCC1 ZINC000926791272 645435554 /nfs/dbraw/zinc/43/55/54/645435554.db2.gz QVJXOMMJGMXYQI-GXFFZTMASA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)CC1CCC1 ZINC000926791273 645436046 /nfs/dbraw/zinc/43/60/46/645436046.db2.gz QVJXOMMJGMXYQI-MFKMUULPSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](C)CC1CCC1 ZINC000926791274 645436426 /nfs/dbraw/zinc/43/64/26/645436426.db2.gz QVJXOMMJGMXYQI-ZWNOBZJWSA-N 1 0 248.370 3.529 20 0 BHADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCCC1CC1 ZINC000926797188 645437978 /nfs/dbraw/zinc/43/79/78/645437978.db2.gz RAKZDQUQTNAWLR-CYBMUJFWSA-N 1 0 248.370 3.530 20 0 BHADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCCC1CC1 ZINC000926797190 645436978 /nfs/dbraw/zinc/43/69/78/645436978.db2.gz RAKZDQUQTNAWLR-ZDUSSCGKSA-N 1 0 248.370 3.530 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926800775 645438319 /nfs/dbraw/zinc/43/83/19/645438319.db2.gz GWYOUVLLAWPEKQ-QJPTWQEYSA-N 1 0 243.341 3.612 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926800776 645437931 /nfs/dbraw/zinc/43/79/31/645437931.db2.gz GWYOUVLLAWPEKQ-TUAOUCFPSA-N 1 0 243.341 3.612 20 0 BHADRO CC(F)(F)C(C)(C)C[NH2+]C1CC2(C1)CCCC2 ZINC000926801086 645437215 /nfs/dbraw/zinc/43/72/15/645437215.db2.gz JMMIOWQKYJVGEC-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)c1ccns1 ZINC000926823019 645444165 /nfs/dbraw/zinc/44/41/65/645444165.db2.gz DZAMUVPTFHNOKR-NEPJUHHUSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)c1ccns1 ZINC000926823021 645444066 /nfs/dbraw/zinc/44/40/66/645444066.db2.gz DZAMUVPTFHNOKR-NWDGAFQWSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CCC[C@H]1C=CCC1)c1ccns1 ZINC000926823022 645444519 /nfs/dbraw/zinc/44/45/19/645444519.db2.gz DZAMUVPTFHNOKR-RYUDHWBXSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)c1ccns1 ZINC000926823023 645443703 /nfs/dbraw/zinc/44/37/03/645443703.db2.gz DZAMUVPTFHNOKR-VXGBXAGGSA-N 1 0 236.384 3.540 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000926826585 645446359 /nfs/dbraw/zinc/44/63/59/645446359.db2.gz RWPHISTYOCZNOX-BXUZGUMPSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000926826586 645445963 /nfs/dbraw/zinc/44/59/63/645445963.db2.gz RWPHISTYOCZNOX-FZMZJTMJSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000926826587 645447251 /nfs/dbraw/zinc/44/72/51/645447251.db2.gz RWPHISTYOCZNOX-RISCZKNCSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000926826588 645446571 /nfs/dbraw/zinc/44/65/71/645446571.db2.gz RWPHISTYOCZNOX-SMDDNHRTSA-N 1 0 248.370 3.688 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926839152 645448564 /nfs/dbraw/zinc/44/85/64/645448564.db2.gz XJVMRNGOMSPANP-CHWSQXEVSA-N 1 0 240.350 3.785 20 0 BHADRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926839154 645449757 /nfs/dbraw/zinc/44/97/57/645449757.db2.gz XJVMRNGOMSPANP-OLZOCXBDSA-N 1 0 240.350 3.785 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926839155 645448370 /nfs/dbraw/zinc/44/83/70/645448370.db2.gz XJVMRNGOMSPANP-QWHCGFSZSA-N 1 0 240.350 3.785 20 0 BHADRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1cc2ccccc2[nH]1 ZINC000926839156 645448803 /nfs/dbraw/zinc/44/88/03/645448803.db2.gz XJVMRNGOMSPANP-STQMWFEESA-N 1 0 240.350 3.785 20 0 BHADRO CC(C)(C[NH2+]C1CC2(C1)CCCC2)CC(F)F ZINC000926840445 633207570 /nfs/dbraw/zinc/20/75/70/633207570.db2.gz DHEOQSQAJBVBJQ-UHFFFAOYSA-N 1 0 245.357 3.980 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000926840885 633211530 /nfs/dbraw/zinc/21/15/30/633211530.db2.gz IWTSCDFJPYFSMW-JTQLQIEISA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000926840887 633211028 /nfs/dbraw/zinc/21/10/28/633211028.db2.gz IWTSCDFJPYFSMW-SNVBAGLBSA-N 1 0 248.370 3.522 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000926841591 645452813 /nfs/dbraw/zinc/45/28/13/645452813.db2.gz KECKQXGGXRYVLP-GHMZBOCLSA-N 1 0 238.375 3.768 20 0 BHADRO CCC[C@@H](C)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000926841592 645452157 /nfs/dbraw/zinc/45/21/57/645452157.db2.gz KECKQXGGXRYVLP-MNOVXSKESA-N 1 0 238.375 3.768 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000926841593 645450795 /nfs/dbraw/zinc/45/07/95/645450795.db2.gz KECKQXGGXRYVLP-QWRGUYRKSA-N 1 0 238.375 3.768 20 0 BHADRO CCC[C@H](C)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000926841594 645451063 /nfs/dbraw/zinc/45/10/63/645451063.db2.gz KECKQXGGXRYVLP-WDEREUQCSA-N 1 0 238.375 3.768 20 0 BHADRO CC(C)(C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)F ZINC000926841641 645450968 /nfs/dbraw/zinc/45/09/68/645450968.db2.gz LDPGWEWLRSHNNF-QJPTWQEYSA-N 1 0 243.341 3.612 20 0 BHADRO CC(C)(C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CC(F)F ZINC000926841642 645451762 /nfs/dbraw/zinc/45/17/62/645451762.db2.gz LDPGWEWLRSHNNF-TUAOUCFPSA-N 1 0 243.341 3.612 20 0 BHADRO CC1(C[NH2+]C2CC3(C2)CCCC3)CC(F)(F)C1 ZINC000926841862 633213828 /nfs/dbraw/zinc/21/38/28/633213828.db2.gz NASHGQUYPSILOL-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cc(O)cc(F)c1 ZINC000926877323 645471989 /nfs/dbraw/zinc/47/19/89/645471989.db2.gz MZRCBKLJTWBHCV-JTQLQIEISA-N 1 0 249.329 3.515 20 0 BHADRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cc(O)cc(F)c1 ZINC000926877324 645472176 /nfs/dbraw/zinc/47/21/76/645472176.db2.gz MZRCBKLJTWBHCV-SNVBAGLBSA-N 1 0 249.329 3.515 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000926878997 633777013 /nfs/dbraw/zinc/77/70/13/633777013.db2.gz NDFIZGUPSLPDSG-VZJVUDMVSA-N 1 0 248.370 3.522 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000926879005 633775618 /nfs/dbraw/zinc/77/56/18/633775618.db2.gz NDFIZGUPSLPDSG-ZBINZKHDSA-N 1 0 248.370 3.522 20 0 BHADRO C[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)C1CC(F)(F)C1 ZINC000926879553 645471846 /nfs/dbraw/zinc/47/18/46/645471846.db2.gz POQBCMGLNJGTSD-UHTWSYAYSA-N 1 0 243.341 3.590 20 0 BHADRO C[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)C1CC(F)(F)C1 ZINC000926879554 645472245 /nfs/dbraw/zinc/47/22/45/645472245.db2.gz POQBCMGLNJGTSD-WCFLWFBJSA-N 1 0 243.341 3.590 20 0 BHADRO CCC(CC)[NH2+]CCc1cnc2ccccc2c1 ZINC000926918242 645487789 /nfs/dbraw/zinc/48/77/89/645487789.db2.gz FKVODQPQORPPHM-UHFFFAOYSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@@H](C)[NH2+]CCc1cnc2ccccc2c1 ZINC000926920590 645488039 /nfs/dbraw/zinc/48/80/39/645488039.db2.gz SVIOUPDXZDLDJN-CYBMUJFWSA-N 1 0 242.366 3.556 20 0 BHADRO CCC[C@H](C)[NH2+]CCc1cnc2ccccc2c1 ZINC000926920591 645487698 /nfs/dbraw/zinc/48/76/98/645487698.db2.gz SVIOUPDXZDLDJN-ZDUSSCGKSA-N 1 0 242.366 3.556 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946300 636966727 /nfs/dbraw/zinc/96/67/27/636966727.db2.gz BOUZTEJWYJWBJK-LNFKQOIKSA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946301 636967952 /nfs/dbraw/zinc/96/79/52/636967952.db2.gz BOUZTEJWYJWBJK-MMWGEVLESA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946302 636967692 /nfs/dbraw/zinc/96/76/92/636967692.db2.gz BOUZTEJWYJWBJK-UKKRHICBSA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946303 636966354 /nfs/dbraw/zinc/96/63/54/636966354.db2.gz BOUZTEJWYJWBJK-ZDCRXTMVSA-N 1 0 249.320 3.599 20 0 BHADRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946695 645487419 /nfs/dbraw/zinc/48/74/19/645487419.db2.gz FHABQDLWCCPJCV-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946696 645487796 /nfs/dbraw/zinc/48/77/96/645487796.db2.gz FHABQDLWCCPJCV-LPEHRKFASA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926947919 645495167 /nfs/dbraw/zinc/49/51/67/645495167.db2.gz GONOFLCMXGKKDR-GRYCIOLGSA-N 1 0 249.320 3.909 20 0 BHADRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926947924 645496871 /nfs/dbraw/zinc/49/68/71/645496871.db2.gz GONOFLCMXGKKDR-SDDRHHMPSA-N 1 0 249.320 3.909 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926948914 645496285 /nfs/dbraw/zinc/49/62/85/645496285.db2.gz LGVAZDUHKVCYIY-KXUCPTDWSA-N 1 0 237.309 3.599 20 0 BHADRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926948915 645495372 /nfs/dbraw/zinc/49/53/72/645495372.db2.gz LGVAZDUHKVCYIY-LPEHRKFASA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000926949898 645495465 /nfs/dbraw/zinc/49/54/65/645495465.db2.gz OTZRYCSWUQRADX-AXFHLTTASA-N 1 0 249.320 3.599 20 0 BHADRO CC(C)(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000926949903 645496976 /nfs/dbraw/zinc/49/69/76/645496976.db2.gz OTZRYCSWUQRADX-HBNTYKKESA-N 1 0 249.320 3.599 20 0 BHADRO C[C@H]([NH2+]CCC1CC=CC1)C(C)(C)C(F)F ZINC000926950368 645496241 /nfs/dbraw/zinc/49/62/41/645496241.db2.gz PARBKFFJFAZLPQ-JTQLQIEISA-N 1 0 231.330 3.612 20 0 BHADRO C[C@@H]([NH2+]CCC1CC=CC1)C(C)(C)C(F)F ZINC000926950369 645495505 /nfs/dbraw/zinc/49/55/05/645495505.db2.gz PARBKFFJFAZLPQ-SNVBAGLBSA-N 1 0 231.330 3.612 20 0 BHADRO FC(F)C1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000926951015 645499471 /nfs/dbraw/zinc/49/94/71/645499471.db2.gz UKKAYTOJNJJGRK-UHFFFAOYSA-N 1 0 243.341 3.756 20 0 BHADRO CC(C)[C@H]([NH2+]CCC1CC=CC1)c1ccccn1 ZINC000926951084 645498305 /nfs/dbraw/zinc/49/83/05/645498305.db2.gz WDIGJQDFUKJQRH-INIZCTEOSA-N 1 0 244.382 3.725 20 0 BHADRO CC(C)[C@@H]([NH2+]CCC1CC=CC1)c1ccccn1 ZINC000926951085 645499821 /nfs/dbraw/zinc/49/98/21/645499821.db2.gz WDIGJQDFUKJQRH-MRXNPFEDSA-N 1 0 244.382 3.725 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000926951248 645498569 /nfs/dbraw/zinc/49/85/69/645498569.db2.gz ZCJXUMWFHUHMOR-FKTZTGRPSA-N 1 0 249.301 3.597 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000926951249 645499602 /nfs/dbraw/zinc/49/96/02/645499602.db2.gz ZCJXUMWFHUHMOR-UJNFCWOMSA-N 1 0 249.301 3.597 20 0 BHADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C(C)(C)C ZINC000926951799 636969531 /nfs/dbraw/zinc/96/95/31/636969531.db2.gz XLIYMJSSOBMUNR-AEJSXWLSSA-N 1 0 237.309 3.599 20 0 BHADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C(C)(C)C ZINC000926951800 636968556 /nfs/dbraw/zinc/96/85/56/636968556.db2.gz XLIYMJSSOBMUNR-IVZWLZJFSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951978 645499440 /nfs/dbraw/zinc/49/94/40/645499440.db2.gz ICIPSAHLSCJKKY-GARJFASQSA-N 1 0 237.309 3.599 20 0 BHADRO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951979 645497663 /nfs/dbraw/zinc/49/76/63/645497663.db2.gz ICIPSAHLSCJKKY-OUAUKWLOSA-N 1 0 237.309 3.599 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]CCC2CC=CC2)c(C)n1 ZINC000926952032 645497642 /nfs/dbraw/zinc/49/76/42/645497642.db2.gz JUNPBZLTTIBBHN-CYBMUJFWSA-N 1 0 244.382 3.705 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]CCC2CC=CC2)c(C)n1 ZINC000926952033 645499452 /nfs/dbraw/zinc/49/94/52/645499452.db2.gz JUNPBZLTTIBBHN-ZDUSSCGKSA-N 1 0 244.382 3.705 20 0 BHADRO CCc1cccnc1[C@@H](C)[NH2+]CCC1CC=CC1 ZINC000926952043 645499017 /nfs/dbraw/zinc/49/90/17/645499017.db2.gz JXUYZXSVDJTEEW-CYBMUJFWSA-N 1 0 244.382 3.651 20 0 BHADRO CCc1cccnc1[C@H](C)[NH2+]CCC1CC=CC1 ZINC000926952044 645499463 /nfs/dbraw/zinc/49/94/63/645499463.db2.gz JXUYZXSVDJTEEW-ZDUSSCGKSA-N 1 0 244.382 3.651 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000926952264 645498535 /nfs/dbraw/zinc/49/85/35/645498535.db2.gz QQSPGDMIADSMSD-HRDYMLBCSA-N 1 0 249.301 3.597 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000926952265 645499605 /nfs/dbraw/zinc/49/96/05/645499605.db2.gz QQSPGDMIADSMSD-XHNCKOQMSA-N 1 0 249.301 3.597 20 0 BHADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCC1CC=CC1 ZINC000926952284 645497959 /nfs/dbraw/zinc/49/79/59/645497959.db2.gz RHQPNXOBGNZERD-LLVKDONJSA-N 1 0 248.370 3.552 20 0 BHADRO CCc1noc(C)c1[C@H](C)[NH2+]CCC1CC=CC1 ZINC000926952285 645499422 /nfs/dbraw/zinc/49/94/22/645499422.db2.gz RHQPNXOBGNZERD-NSHDSACASA-N 1 0 248.370 3.552 20 0 BHADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000926952320 645499666 /nfs/dbraw/zinc/49/96/66/645499666.db2.gz SIUGNVMMBCIFEQ-ADEWGFFLSA-N 1 0 243.272 3.536 20 0 BHADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000926952321 645498413 /nfs/dbraw/zinc/49/84/13/645498413.db2.gz SIUGNVMMBCIFEQ-ZMLRMANQSA-N 1 0 243.272 3.536 20 0 BHADRO C[C@@H](CCC(F)(F)F)[NH2+]CCC1CC=CC1 ZINC000926952384 645498009 /nfs/dbraw/zinc/49/80/09/645498009.db2.gz VKFWDIOPVOZYEU-JTQLQIEISA-N 1 0 235.293 3.663 20 0 BHADRO C[C@H](CCC(F)(F)F)[NH2+]CCC1CC=CC1 ZINC000926952385 645499040 /nfs/dbraw/zinc/49/90/40/645499040.db2.gz VKFWDIOPVOZYEU-SNVBAGLBSA-N 1 0 235.293 3.663 20 0 BHADRO Cc1cnc(C[NH2+]C2CC3(C2)CCCC3)c(C)c1 ZINC000926952682 645498613 /nfs/dbraw/zinc/49/86/13/645498613.db2.gz BEEALVISBNXTHQ-UHFFFAOYSA-N 1 0 244.382 3.511 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCCC3)CCS1 ZINC000927026754 645526176 /nfs/dbraw/zinc/52/61/76/645526176.db2.gz GGZKEBMQAAGYRR-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)CCS1 ZINC000927026755 645525388 /nfs/dbraw/zinc/52/53/88/645525388.db2.gz GGZKEBMQAAGYRR-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)CCS1 ZINC000927026756 645526020 /nfs/dbraw/zinc/52/60/20/645526020.db2.gz GGZKEBMQAAGYRR-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCCC3)CCS1 ZINC000927026757 645526815 /nfs/dbraw/zinc/52/68/15/645526815.db2.gz GGZKEBMQAAGYRR-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)CCS1 ZINC000927029469 637000707 /nfs/dbraw/zinc/00/07/07/637000707.db2.gz PFEOTKSPAGJSAZ-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)CCS1 ZINC000927029470 637000592 /nfs/dbraw/zinc/00/05/92/637000592.db2.gz PFEOTKSPAGJSAZ-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)CCS1 ZINC000927029471 637001395 /nfs/dbraw/zinc/00/13/95/637001395.db2.gz PFEOTKSPAGJSAZ-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC3(CC3)C2)CCS1 ZINC000927029473 637000121 /nfs/dbraw/zinc/00/01/21/637000121.db2.gz PFEOTKSPAGJSAZ-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927029806 645528633 /nfs/dbraw/zinc/52/86/33/645528633.db2.gz QCTHZSUWVHNUQC-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927029807 645529840 /nfs/dbraw/zinc/52/98/40/645529840.db2.gz QCTHZSUWVHNUQC-IJLUTSLNSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927029808 645528036 /nfs/dbraw/zinc/52/80/36/645528036.db2.gz 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ZINC000927031239 645529621 /nfs/dbraw/zinc/52/96/21/645529621.db2.gz WUPDWMDLGKZLQN-KGYLQXTDSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C(C)(C)C)CCS1 ZINC000927031241 645527721 /nfs/dbraw/zinc/52/77/21/645527721.db2.gz WUPDWMDLGKZLQN-RAIGVLPGSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C(C)(C)C)CCS1 ZINC000927031242 645528394 /nfs/dbraw/zinc/52/83/94/645528394.db2.gz WUPDWMDLGKZLQN-RTXFEEFZSA-N 1 0 241.444 3.685 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C(C)(C)C)CCS1 ZINC000927031243 645529935 /nfs/dbraw/zinc/52/99/35/645529935.db2.gz WUPDWMDLGKZLQN-WXHSDQCUSA-N 1 0 241.444 3.685 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927031379 637002910 /nfs/dbraw/zinc/00/29/10/637002910.db2.gz LYYIKBOWLZXKMT-HZSPNIEDSA-N 1 0 249.423 3.930 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927031399 637003360 /nfs/dbraw/zinc/00/33/60/637003360.db2.gz LYYIKBOWLZXKMT-IHRRRGAJSA-N 1 0 249.423 3.930 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927031438 637002602 /nfs/dbraw/zinc/00/26/02/637002602.db2.gz LYYIKBOWLZXKMT-MELADBBJSA-N 1 0 249.423 3.930 20 0 BHADRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927031442 637002609 /nfs/dbraw/zinc/00/26/09/637002609.db2.gz LYYIKBOWLZXKMT-RDBSUJKOSA-N 1 0 249.423 3.930 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927032122 645528484 /nfs/dbraw/zinc/52/84/84/645528484.db2.gz ZGLRJBSJFHPBOT-GRYCIOLGSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927032124 645529569 /nfs/dbraw/zinc/52/95/69/645529569.db2.gz ZGLRJBSJFHPBOT-SDDRHHMPSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927032125 645528896 /nfs/dbraw/zinc/52/88/96/645528896.db2.gz ZGLRJBSJFHPBOT-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927032246 645527974 /nfs/dbraw/zinc/52/79/74/645527974.db2.gz ZGLRJBSJFHPBOT-WOPDTQHZSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCC3)CCS1 ZINC000927032364 637003313 /nfs/dbraw/zinc/00/33/13/637003313.db2.gz ZYROMZIVLOITQD-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)CCS1 ZINC000927032365 637002679 /nfs/dbraw/zinc/00/26/79/637002679.db2.gz ZYROMZIVLOITQD-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)CCS1 ZINC000927032366 637002412 /nfs/dbraw/zinc/00/24/12/637002412.db2.gz ZYROMZIVLOITQD-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)CCS1 ZINC000927032367 637002955 /nfs/dbraw/zinc/00/29/55/637002955.db2.gz ZYROMZIVLOITQD-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000927032453 645527756 /nfs/dbraw/zinc/52/77/56/645527756.db2.gz NLUMRSWHJSHXOZ-CKYFFXLPSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000927032454 645532251 /nfs/dbraw/zinc/53/22/51/645532251.db2.gz NLUMRSWHJSHXOZ-FOGDFJRCSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000927032455 645530585 /nfs/dbraw/zinc/53/05/85/645530585.db2.gz NLUMRSWHJSHXOZ-JFGNBEQYSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000927032456 645531446 /nfs/dbraw/zinc/53/14/46/645531446.db2.gz NLUMRSWHJSHXOZ-SCVCMEIPSA-N 1 0 241.425 3.683 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)o1 ZINC000927032737 645532507 /nfs/dbraw/zinc/53/25/07/645532507.db2.gz OTNGVXWRXVUXMC-GRYCIOLGSA-N 1 0 239.384 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)o1 ZINC000927032738 645530467 /nfs/dbraw/zinc/53/04/67/645530467.db2.gz OTNGVXWRXVUXMC-SDDRHHMPSA-N 1 0 239.384 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)o1 ZINC000927032739 637002885 /nfs/dbraw/zinc/00/28/85/637002885.db2.gz OTNGVXWRXVUXMC-SRVKXCTJSA-N 1 0 239.384 3.523 20 0 BHADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)o1 ZINC000927032740 637003455 /nfs/dbraw/zinc/00/34/55/637003455.db2.gz OTNGVXWRXVUXMC-WOPDTQHZSA-N 1 0 239.384 3.523 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@@H](C)C1)C(C)(C)C ZINC000927033167 645532493 /nfs/dbraw/zinc/53/24/93/645532493.db2.gz RCMIXHBWNLPKKZ-SRVKXCTJSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)C(C)(C)C ZINC000927033168 645530531 /nfs/dbraw/zinc/53/05/31/645530531.db2.gz RCMIXHBWNLPKKZ-TUAOUCFPSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)C(C)(C)C ZINC000927033169 645532446 /nfs/dbraw/zinc/53/24/46/645532446.db2.gz RCMIXHBWNLPKKZ-UTUOFQBUSA-N 1 0 229.433 3.685 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCS[C@H](C)C1)C(C)(C)C ZINC000927033170 645532353 /nfs/dbraw/zinc/53/23/53/645532353.db2.gz RCMIXHBWNLPKKZ-WOPDTQHZSA-N 1 0 229.433 3.685 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)CCS1 ZINC000927033815 645531527 /nfs/dbraw/zinc/53/15/27/645531527.db2.gz UOESPOWVHNXYKJ-KYOSRNDESA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCS1 ZINC000927033816 645530824 /nfs/dbraw/zinc/53/08/24/645530824.db2.gz UOESPOWVHNXYKJ-OSAQELSMSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)CCS1 ZINC000927033817 645532346 /nfs/dbraw/zinc/53/23/46/645532346.db2.gz UOESPOWVHNXYKJ-UXIGCNINSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)CCS1 ZINC000927033818 645531682 /nfs/dbraw/zinc/53/16/82/645531682.db2.gz UOESPOWVHNXYKJ-ZLDLUXBVSA-N 1 0 247.407 3.548 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccccc1 ZINC000927034527 645532307 /nfs/dbraw/zinc/53/23/07/645532307.db2.gz XIDFFFGWYPCJJV-BZPMIXESSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccccc1 ZINC000927034530 645532481 /nfs/dbraw/zinc/53/24/81/645532481.db2.gz XIDFFFGWYPCJJV-DYEKYZERSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccccc1 ZINC000927034531 645531759 /nfs/dbraw/zinc/53/17/59/645531759.db2.gz XIDFFFGWYPCJJV-MBNYWOFBSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccccc1 ZINC000927034532 645531082 /nfs/dbraw/zinc/53/10/82/645531082.db2.gz XIDFFFGWYPCJJV-YRGRVCCFSA-N 1 0 235.396 3.621 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccs1 ZINC000927034534 645532404 /nfs/dbraw/zinc/53/24/04/645532404.db2.gz XKPDIJZNCUAUPV-GMTAPVOTSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccs1 ZINC000927034535 645530519 /nfs/dbraw/zinc/53/05/19/645530519.db2.gz XKPDIJZNCUAUPV-MXWKQRLJSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccs1 ZINC000927034536 645531256 /nfs/dbraw/zinc/53/12/56/645531256.db2.gz XKPDIJZNCUAUPV-OUAUKWLOSA-N 1 0 241.425 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccs1 ZINC000927034537 645533102 /nfs/dbraw/zinc/53/31/02/645533102.db2.gz XKPDIJZNCUAUPV-VWYCJHECSA-N 1 0 241.425 3.683 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C(C)C ZINC000927035687 645531294 /nfs/dbraw/zinc/53/12/94/645531294.db2.gz CCCDDXRMLSSUMW-CHWSQXEVSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C(C)C ZINC000927035692 645532520 /nfs/dbraw/zinc/53/25/20/645532520.db2.gz CCCDDXRMLSSUMW-OLZOCXBDSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)C(C)C ZINC000927035695 645532929 /nfs/dbraw/zinc/53/29/29/645532929.db2.gz CCCDDXRMLSSUMW-QWHCGFSZSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)C(C)C ZINC000927035699 645531620 /nfs/dbraw/zinc/53/16/20/645531620.db2.gz CCCDDXRMLSSUMW-STQMWFEESA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCC3)CCS1 ZINC000927035716 637008752 /nfs/dbraw/zinc/00/87/52/637008752.db2.gz WOJDSXVTNHESSY-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCC3)CCS1 ZINC000927035727 637009134 /nfs/dbraw/zinc/00/91/34/637009134.db2.gz WOJDSXVTNHESSY-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCC3)CCS1 ZINC000927035728 637007872 /nfs/dbraw/zinc/00/78/72/637007872.db2.gz WOJDSXVTNHESSY-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCC3)CCS1 ZINC000927035729 637008841 /nfs/dbraw/zinc/00/88/41/637008841.db2.gz WOJDSXVTNHESSY-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927036228 637009295 /nfs/dbraw/zinc/00/92/95/637009295.db2.gz KAVDEADSZLVKOU-CHWSQXEVSA-N 1 0 241.444 3.973 20 0 BHADRO CCC[C@@H](CC)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927036230 637008354 /nfs/dbraw/zinc/00/83/54/637008354.db2.gz KAVDEADSZLVKOU-OLZOCXBDSA-N 1 0 241.444 3.973 20 0 BHADRO CCC[C@H](CC)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927036231 637009143 /nfs/dbraw/zinc/00/91/43/637009143.db2.gz KAVDEADSZLVKOU-QWHCGFSZSA-N 1 0 241.444 3.973 20 0 BHADRO CCC[C@H](CC)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927036233 637007864 /nfs/dbraw/zinc/00/78/64/637007864.db2.gz KAVDEADSZLVKOU-STQMWFEESA-N 1 0 241.444 3.973 20 0 BHADRO CCC(CC)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927036918 645531030 /nfs/dbraw/zinc/53/10/30/645531030.db2.gz KTBLAQNKXSLOAO-GFCCVEGCSA-N 1 0 227.417 3.583 20 0 BHADRO CCC(CC)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927036919 645531909 /nfs/dbraw/zinc/53/19/09/645531909.db2.gz KTBLAQNKXSLOAO-LBPRGKRZSA-N 1 0 227.417 3.583 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)C1CCC1 ZINC000927037577 645530745 /nfs/dbraw/zinc/53/07/45/645530745.db2.gz NLVCLQTUBIQBKU-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C1CCC1 ZINC000927037578 645532539 /nfs/dbraw/zinc/53/25/39/645532539.db2.gz NLVCLQTUBIQBKU-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C1CCC1 ZINC000927037579 645531558 /nfs/dbraw/zinc/53/15/58/645531558.db2.gz NLVCLQTUBIQBKU-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)C1CCC1 ZINC000927037580 645530478 /nfs/dbraw/zinc/53/04/78/645530478.db2.gz NLVCLQTUBIQBKU-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927037926 645532292 /nfs/dbraw/zinc/53/22/92/645532292.db2.gz OSDNNPVBFQVLEJ-NEPJUHHUSA-N 1 0 227.417 3.583 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927037927 645530766 /nfs/dbraw/zinc/53/07/66/645530766.db2.gz OSDNNPVBFQVLEJ-NWDGAFQWSA-N 1 0 227.417 3.583 20 0 BHADRO CCC[C@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927037929 645531636 /nfs/dbraw/zinc/53/16/36/645531636.db2.gz OSDNNPVBFQVLEJ-RYUDHWBXSA-N 1 0 227.417 3.583 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927037930 645531788 /nfs/dbraw/zinc/53/17/88/645531788.db2.gz OSDNNPVBFQVLEJ-VXGBXAGGSA-N 1 0 227.417 3.583 20 0 BHADRO CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C1CC1 ZINC000927038023 645527891 /nfs/dbraw/zinc/52/78/91/645527891.db2.gz PCJKEDHIUGYNGQ-CHWSQXEVSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C1CC1 ZINC000927038024 645528108 /nfs/dbraw/zinc/52/81/08/645528108.db2.gz PCJKEDHIUGYNGQ-OLZOCXBDSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)C1CC1 ZINC000927038025 645529188 /nfs/dbraw/zinc/52/91/88/645529188.db2.gz PCJKEDHIUGYNGQ-QWHCGFSZSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)C1CC1 ZINC000927038026 645531138 /nfs/dbraw/zinc/53/11/38/645531138.db2.gz PCJKEDHIUGYNGQ-STQMWFEESA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)C(C)(C)C ZINC000927038703 645532204 /nfs/dbraw/zinc/53/22/04/645532204.db2.gz QMGNMMJADPIRSK-NEPJUHHUSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C(C)(C)C ZINC000927038704 645532227 /nfs/dbraw/zinc/53/22/27/645532227.db2.gz QMGNMMJADPIRSK-NWDGAFQWSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)C(C)(C)C ZINC000927038706 645531431 /nfs/dbraw/zinc/53/14/31/645531431.db2.gz QMGNMMJADPIRSK-RYUDHWBXSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)C(C)(C)C ZINC000927038709 645532115 /nfs/dbraw/zinc/53/21/15/645532115.db2.gz QMGNMMJADPIRSK-VXGBXAGGSA-N 1 0 241.444 3.829 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927039786 645531512 /nfs/dbraw/zinc/53/15/12/645531512.db2.gz VYRCXHYRKNYILE-AAEUAGOBSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927039787 645532769 /nfs/dbraw/zinc/53/27/69/645532769.db2.gz VYRCXHYRKNYILE-DGCLKSJQSA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927039788 645530944 /nfs/dbraw/zinc/53/09/44/645530944.db2.gz VYRCXHYRKNYILE-WCQYABFASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@H](CC1CC1)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927039789 645532005 /nfs/dbraw/zinc/53/20/05/645532005.db2.gz VYRCXHYRKNYILE-YPMHNXCESA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040112 645530637 /nfs/dbraw/zinc/53/06/37/645530637.db2.gz XCCXEHLWUSRSBV-AVGNSLFASA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040113 645532219 /nfs/dbraw/zinc/53/22/19/645532219.db2.gz XCCXEHLWUSRSBV-RWMBFGLXSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040114 645532165 /nfs/dbraw/zinc/53/21/65/645532165.db2.gz XCCXEHLWUSRSBV-XQQFMLRXSA-N 1 0 241.444 3.829 20 0 BHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040115 645531020 /nfs/dbraw/zinc/53/10/20/645531020.db2.gz XCCXEHLWUSRSBV-YNEHKIRRSA-N 1 0 241.444 3.829 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040593 645531272 /nfs/dbraw/zinc/53/12/72/645531272.db2.gz YVECXQSJOLNFFG-CHWSQXEVSA-N 1 0 241.444 3.973 20 0 BHADRO CCCC[C@@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040594 645531770 /nfs/dbraw/zinc/53/17/70/645531770.db2.gz YVECXQSJOLNFFG-OLZOCXBDSA-N 1 0 241.444 3.973 20 0 BHADRO CCCC[C@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040595 645532484 /nfs/dbraw/zinc/53/24/84/645532484.db2.gz YVECXQSJOLNFFG-QWHCGFSZSA-N 1 0 241.444 3.973 20 0 BHADRO CCCC[C@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040596 645531921 /nfs/dbraw/zinc/53/19/21/645531921.db2.gz YVECXQSJOLNFFG-STQMWFEESA-N 1 0 241.444 3.973 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040623 645532683 /nfs/dbraw/zinc/53/26/83/645532683.db2.gz VAKNPSMENAARKX-NEPJUHHUSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040624 645532615 /nfs/dbraw/zinc/53/26/15/645532615.db2.gz VAKNPSMENAARKX-NWDGAFQWSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040625 645531743 /nfs/dbraw/zinc/53/17/43/645531743.db2.gz VAKNPSMENAARKX-RYUDHWBXSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040626 645530987 /nfs/dbraw/zinc/53/09/87/645530987.db2.gz VAKNPSMENAARKX-VXGBXAGGSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040712 637008724 /nfs/dbraw/zinc/00/87/24/637008724.db2.gz VULIXWCQLJIRHM-AGIUHOORSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927040715 637008964 /nfs/dbraw/zinc/00/89/64/637008964.db2.gz VULIXWCQLJIRHM-FRRDWIJNSA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040716 637009404 /nfs/dbraw/zinc/00/94/04/637009404.db2.gz VULIXWCQLJIRHM-JHJVBQTASA-N 1 0 239.428 3.583 20 0 BHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927040720 637008741 /nfs/dbraw/zinc/00/87/41/637008741.db2.gz VULIXWCQLJIRHM-UPJWGTAASA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC000927041508 645532263 /nfs/dbraw/zinc/53/22/63/645532263.db2.gz ZHSJEJGSBJCCHJ-LLVKDONJSA-N 1 0 239.428 3.583 20 0 BHADRO CC1(C)CC([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC000927041509 645530720 /nfs/dbraw/zinc/53/07/20/645530720.db2.gz ZHSJEJGSBJCCHJ-NSHDSACASA-N 1 0 239.428 3.583 20 0 BHADRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccsc1 ZINC000927118914 645556397 /nfs/dbraw/zinc/55/63/97/645556397.db2.gz HFNKLCQFAYPDPW-RTXFEEFZSA-N 1 0 221.369 3.589 20 0 BHADRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccs1 ZINC000927119822 645551140 /nfs/dbraw/zinc/55/11/40/645551140.db2.gz OPOJHRNCWUEYJY-WZRBSPASSA-N 1 0 221.369 3.589 20 0 BHADRO FC(F)C1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000927120486 645556306 /nfs/dbraw/zinc/55/63/06/645556306.db2.gz FWYNMHVVCZRKHY-QKVQEHJESA-N 1 0 243.341 3.590 20 0 BHADRO Cc1ccc([C@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c(C)n1 ZINC000927120624 645556140 /nfs/dbraw/zinc/55/61/40/645556140.db2.gz WECSNIHMZZBQMA-BJJXKVORSA-N 1 0 244.382 3.539 20 0 BHADRO Cc1ccc([C@@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c(C)n1 ZINC000927120625 645555046 /nfs/dbraw/zinc/55/50/46/645555046.db2.gz WECSNIHMZZBQMA-XPKDYRNWSA-N 1 0 244.382 3.539 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccccn1 ZINC000927120996 645554337 /nfs/dbraw/zinc/55/43/37/645554337.db2.gz ZEAVFIUBMPFHJZ-FMKPAKJESA-N 1 0 244.382 3.703 20 0 BHADRO CCC[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccccn1 ZINC000927120997 645555593 /nfs/dbraw/zinc/55/55/93/645555593.db2.gz ZEAVFIUBMPFHJZ-YCPHGPKFSA-N 1 0 244.382 3.703 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1ccc(F)cn1 ZINC000927121112 645554292 /nfs/dbraw/zinc/55/42/92/645554292.db2.gz CGENGTDPGPLSOO-GFCCVEGCSA-N 1 0 248.345 3.618 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1ccc(F)cn1 ZINC000927121113 645555760 /nfs/dbraw/zinc/55/57/60/645555760.db2.gz CGENGTDPGPLSOO-LBPRGKRZSA-N 1 0 248.345 3.618 20 0 BHADRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927121223 637037419 /nfs/dbraw/zinc/03/74/19/637037419.db2.gz KDOPDEOMITYTAP-UTUOFQBUSA-N 1 0 249.320 3.887 20 0 BHADRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927121224 637037516 /nfs/dbraw/zinc/03/75/16/637037516.db2.gz KDOPDEOMITYTAP-WOPDTQHZSA-N 1 0 249.320 3.887 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1ccns1 ZINC000927121300 637037826 /nfs/dbraw/zinc/03/78/26/637037826.db2.gz LHGSOWJAWDJBCR-LLVKDONJSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1ccns1 ZINC000927121302 637037698 /nfs/dbraw/zinc/03/76/98/637037698.db2.gz LHGSOWJAWDJBCR-NSHDSACASA-N 1 0 236.384 3.540 20 0 BHADRO C1=CCCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000927121337 645557637 /nfs/dbraw/zinc/55/76/37/645557637.db2.gz LNONBNYVXQPDFE-AWEZNQCLSA-N 1 0 239.428 3.608 20 0 BHADRO C1=CCCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000927121339 645557364 /nfs/dbraw/zinc/55/73/64/645557364.db2.gz LNONBNYVXQPDFE-CQSZACIVSA-N 1 0 239.428 3.608 20 0 BHADRO CC(C)[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccccn1 ZINC000927121370 637038061 /nfs/dbraw/zinc/03/80/61/637038061.db2.gz LZUGGJUKFAMRRZ-BMFZPTHFSA-N 1 0 244.382 3.559 20 0 BHADRO CC(C)[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccccn1 ZINC000927121581 645558714 /nfs/dbraw/zinc/55/87/14/645558714.db2.gz LZUGGJUKFAMRRZ-KBMXLJTQSA-N 1 0 244.382 3.559 20 0 BHADRO CCC[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccnc1 ZINC000927121642 645558237 /nfs/dbraw/zinc/55/82/37/645558237.db2.gz NETOWEAYOSUMFJ-OAGGEKHMSA-N 1 0 244.382 3.703 20 0 BHADRO CCC[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccnc1 ZINC000927121643 645559053 /nfs/dbraw/zinc/55/90/53/645559053.db2.gz NETOWEAYOSUMFJ-PMPSAXMXSA-N 1 0 244.382 3.703 20 0 BHADRO Cc1noc(C)c1[C@@H](C)[NH2+]CC1CCC=CCC1 ZINC000927122454 645559483 /nfs/dbraw/zinc/55/94/83/645559483.db2.gz QJYZJQBFSQHOIA-LLVKDONJSA-N 1 0 248.370 3.688 20 0 BHADRO Cc1noc(C)c1[C@H](C)[NH2+]CC1CCC=CCC1 ZINC000927122455 645557703 /nfs/dbraw/zinc/55/77/03/645557703.db2.gz QJYZJQBFSQHOIA-NSHDSACASA-N 1 0 248.370 3.688 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)C1CC(F)(F)C1 ZINC000927122760 645557503 /nfs/dbraw/zinc/55/75/03/645557503.db2.gz RWENGWUDXAKYCD-LLVKDONJSA-N 1 0 243.341 3.756 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)C1CC(F)(F)C1 ZINC000927122761 645558303 /nfs/dbraw/zinc/55/83/03/645558303.db2.gz RWENGWUDXAKYCD-NSHDSACASA-N 1 0 243.341 3.756 20 0 BHADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927122768 645559046 /nfs/dbraw/zinc/55/90/46/645559046.db2.gz SABKJEWFSXMGEF-TUAOUCFPSA-N 1 0 249.320 3.887 20 0 BHADRO Cc1ccncc1[C@H](C)[NH2+]CC1CCC=CCC1 ZINC000927123190 645560602 /nfs/dbraw/zinc/56/06/02/645560602.db2.gz MTVVQYULOPAZJT-AWEZNQCLSA-N 1 0 244.382 3.787 20 0 BHADRO Cc1ccncc1[C@@H](C)[NH2+]CC1CCC=CCC1 ZINC000927123191 645561982 /nfs/dbraw/zinc/56/19/82/645561982.db2.gz MTVVQYULOPAZJT-CQSZACIVSA-N 1 0 244.382 3.787 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1nccs1 ZINC000927123460 645561235 /nfs/dbraw/zinc/56/12/35/645561235.db2.gz RRNPBBOCMSZESU-LLVKDONJSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1nccs1 ZINC000927123461 645560106 /nfs/dbraw/zinc/56/01/06/645560106.db2.gz RRNPBBOCMSZESU-NSHDSACASA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1cscn1 ZINC000927123675 645560535 /nfs/dbraw/zinc/56/05/35/645560535.db2.gz XYCMQILNJWEOBZ-LLVKDONJSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1cscn1 ZINC000927123676 645559809 /nfs/dbraw/zinc/55/98/09/645559809.db2.gz XYCMQILNJWEOBZ-NSHDSACASA-N 1 0 236.384 3.540 20 0 BHADRO C[C@@H]([NH2+]CC1CCC=CCC1)c1cncs1 ZINC000927123717 645561735 /nfs/dbraw/zinc/56/17/35/645561735.db2.gz ZDUQZDFPYZBCGF-LLVKDONJSA-N 1 0 236.384 3.540 20 0 BHADRO C[C@H]([NH2+]CC1CCC=CCC1)c1cncs1 ZINC000927123718 645560363 /nfs/dbraw/zinc/56/03/63/645560363.db2.gz ZDUQZDFPYZBCGF-NSHDSACASA-N 1 0 236.384 3.540 20 0 BHADRO CCCC(CCC)[NH2+]Cc1c(C)noc1CC ZINC000927142289 645566071 /nfs/dbraw/zinc/56/60/71/645566071.db2.gz UJTHACUDCLSGBD-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000927142420 645567054 /nfs/dbraw/zinc/56/70/54/645567054.db2.gz UYHIYJXQWMNUKF-GFCCVEGCSA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[C@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000927142421 645567766 /nfs/dbraw/zinc/56/77/66/645567766.db2.gz UYHIYJXQWMNUKF-LBPRGKRZSA-N 1 0 238.375 3.604 20 0 BHADRO CCCCC[C@@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927142757 645566699 /nfs/dbraw/zinc/56/66/99/645566699.db2.gz XKFQXFKMVAMOIO-LLVKDONJSA-N 1 0 238.375 3.604 20 0 BHADRO CCCCC[C@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927142759 645566765 /nfs/dbraw/zinc/56/67/65/645566765.db2.gz XKFQXFKMVAMOIO-NSHDSACASA-N 1 0 238.375 3.604 20 0 BHADRO CCCC[N@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC000929126286 645958089 /nfs/dbraw/zinc/95/80/89/645958089.db2.gz VTIDOGOCFALCEW-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO C[C@H](c1ccc(F)nc1)[NH+]1CCCCCCC1 ZINC000929128041 645961932 /nfs/dbraw/zinc/96/19/32/645961932.db2.gz JTITYGHGELOSFK-GFCCVEGCSA-N 1 0 236.334 3.548 20 0 BHADRO C[C@@H](c1ccc(F)nc1)[NH+]1CCCCCCC1 ZINC000929128043 645960445 /nfs/dbraw/zinc/96/04/45/645960445.db2.gz JTITYGHGELOSFK-LBPRGKRZSA-N 1 0 236.334 3.548 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000929131423 645950133 /nfs/dbraw/zinc/95/01/33/645950133.db2.gz VZHMPLMRPNEZMW-CMPLNLGQSA-N 1 0 221.369 3.684 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000929131424 645950347 /nfs/dbraw/zinc/95/03/47/645950347.db2.gz VZHMPLMRPNEZMW-JQWIXIFHSA-N 1 0 221.369 3.684 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000929131425 645951176 /nfs/dbraw/zinc/95/11/76/645951176.db2.gz VZHMPLMRPNEZMW-PWSUYJOCSA-N 1 0 221.369 3.684 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000929131426 645950634 /nfs/dbraw/zinc/95/06/34/645950634.db2.gz VZHMPLMRPNEZMW-ZYHUDNBSSA-N 1 0 221.369 3.684 20 0 BHADRO C[N@H+](CCCC(C)(F)F)Cc1ccc(F)cc1 ZINC000929136986 636828526 /nfs/dbraw/zinc/82/85/26/636828526.db2.gz WFKMIZGQZPKVRL-UHFFFAOYSA-N 1 0 245.288 3.693 20 0 BHADRO CCCC[N@H+](CC)Cc1coc(C(C)(C)C)n1 ZINC000929142207 645968231 /nfs/dbraw/zinc/96/82/31/645968231.db2.gz AIZNIBAHYWRYKX-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CCCC[N@H+](CC)CCCC(C)(F)F ZINC000929143580 645971536 /nfs/dbraw/zinc/97/15/36/645971536.db2.gz RNYJKQNAMSFTLC-UHFFFAOYSA-N 1 0 207.308 3.544 20 0 BHADRO CCC[N@H+](CCCC(C)(F)F)CC1CC1 ZINC000929143630 645970707 /nfs/dbraw/zinc/97/07/07/645970707.db2.gz SZLVTFACSKFIMG-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO C[N@H+](CCCC(C)(F)F)Cc1ccsc1 ZINC000929178955 645987939 /nfs/dbraw/zinc/98/79/39/645987939.db2.gz BWDGWHBFWHQQJK-UHFFFAOYSA-N 1 0 233.327 3.615 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CCc2sccc2C1 ZINC000929199172 645999193 /nfs/dbraw/zinc/99/91/93/645999193.db2.gz OGYTUUUHNDLWGI-UHFFFAOYSA-N 1 0 245.338 3.542 20 0 BHADRO COC/C(C)=C/C[NH2+][C@H](c1ccccc1)C(C)C ZINC000929200127 642558851 /nfs/dbraw/zinc/55/88/51/642558851.db2.gz FPRBFRBAGQEKLD-DKGMDFAASA-N 1 0 247.382 3.566 20 0 BHADRO COC/C(C)=C\C[NH2+][C@H](c1ccccc1)C(C)C ZINC000929200128 642557880 /nfs/dbraw/zinc/55/78/80/642557880.db2.gz FPRBFRBAGQEKLD-DNXIFWLFSA-N 1 0 247.382 3.566 20 0 BHADRO COC/C(C)=C/C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000929200129 642558421 /nfs/dbraw/zinc/55/84/21/642558421.db2.gz FPRBFRBAGQEKLD-HFQYIWAZSA-N 1 0 247.382 3.566 20 0 BHADRO COC/C(C)=C\C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000929200130 642558578 /nfs/dbraw/zinc/55/85/78/642558578.db2.gz FPRBFRBAGQEKLD-SCOADAFUSA-N 1 0 247.382 3.566 20 0 BHADRO C[N@H+](CCCC(C)(F)F)Cc1cccs1 ZINC000929206549 642596130 /nfs/dbraw/zinc/59/61/30/642596130.db2.gz AAUWBRAGIBUSPG-UHFFFAOYSA-N 1 0 233.327 3.615 20 0 BHADRO C[N@H+](Cc1cccs1)Cc1ccccc1CF ZINC000929208044 646006332 /nfs/dbraw/zinc/00/63/32/646006332.db2.gz RSBXNOYDFQWXNW-UHFFFAOYSA-N 1 0 249.354 3.850 20 0 BHADRO C[N@H+](CCCC(C)(F)F)Cc1cccc(F)c1 ZINC000929211055 646007008 /nfs/dbraw/zinc/00/70/08/646007008.db2.gz UWCRRBLRXQNAMC-UHFFFAOYSA-N 1 0 245.288 3.693 20 0 BHADRO C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCCCC1 ZINC000929211843 646006249 /nfs/dbraw/zinc/00/62/49/646006249.db2.gz MWVQPFRQMOAEKI-LMKPVCQUSA-N 1 0 243.341 3.542 20 0 BHADRO C[N@H+](CCCC(C)(F)F)C1CCCCC1 ZINC000929212586 642904271 /nfs/dbraw/zinc/90/42/71/642904271.db2.gz XMGDHZXBRNEZBT-UHFFFAOYSA-N 1 0 219.319 3.686 20 0 BHADRO CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929212681 642921186 /nfs/dbraw/zinc/92/11/86/642921186.db2.gz UDAIJRGANAKBIE-FVCCEPFGSA-N 1 0 243.341 3.542 20 0 BHADRO CC[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929212683 642921304 /nfs/dbraw/zinc/92/13/04/642921304.db2.gz UDAIJRGANAKBIE-RVMXOQNASA-N 1 0 243.341 3.542 20 0 BHADRO Cc1ccc(C[N@@H+](C)Cc2ccccc2CF)o1 ZINC000929213113 646010194 /nfs/dbraw/zinc/01/01/94/646010194.db2.gz CLIJIRVZIZPGTE-UHFFFAOYSA-N 1 0 247.313 3.690 20 0 BHADRO C[N@H+](CCCC(C)(F)F)Cc1ccccc1 ZINC000929213376 646008081 /nfs/dbraw/zinc/00/80/81/646008081.db2.gz ZVBZSDFPRMXDLJ-UHFFFAOYSA-N 1 0 227.298 3.554 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C ZINC000929250443 646034579 /nfs/dbraw/zinc/03/45/79/646034579.db2.gz RJIQXAQTSMKESD-WISYIIOYSA-N 1 0 245.357 3.644 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C ZINC000929250444 646034329 /nfs/dbraw/zinc/03/43/29/646034329.db2.gz RJIQXAQTSMKESD-YFKTTZPYSA-N 1 0 245.357 3.644 20 0 BHADRO C[C@H]([N@H+](C)CCCC(C)(F)F)C(C)(C)C ZINC000929250773 646033196 /nfs/dbraw/zinc/03/31/96/646033196.db2.gz VOBZZLBEUQZZPB-JTQLQIEISA-N 1 0 221.335 3.788 20 0 BHADRO C[C@@H]([N@H+](C)CCCC(C)(F)F)C(C)(C)C ZINC000929250774 646033510 /nfs/dbraw/zinc/03/35/10/646033510.db2.gz VOBZZLBEUQZZPB-SNVBAGLBSA-N 1 0 221.335 3.788 20 0 BHADRO C[C@H]([N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000929250805 646032823 /nfs/dbraw/zinc/03/28/23/646032823.db2.gz WLCBCKOLAKBYOK-RFQIPJPRSA-N 1 0 241.419 3.556 20 0 BHADRO C[C@@H]([N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000929250806 646033408 /nfs/dbraw/zinc/03/34/08/646033408.db2.gz WLCBCKOLAKBYOK-RQJABVFESA-N 1 0 241.419 3.556 20 0 BHADRO CCC[C@@H](C)[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929251959 646032545 /nfs/dbraw/zinc/03/25/45/646032545.db2.gz HZEMLVVJIQWBLB-LLVKDONJSA-N 1 0 238.375 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929251960 646034027 /nfs/dbraw/zinc/03/40/27/646034027.db2.gz HZEMLVVJIQWBLB-NSHDSACASA-N 1 0 238.375 3.593 20 0 BHADRO CCC[C@H](C)[N@H+](C)CCCC(C)(F)F ZINC000929252612 646036049 /nfs/dbraw/zinc/03/60/49/646036049.db2.gz RWGMWYPDUSSGJD-JTQLQIEISA-N 1 0 207.308 3.542 20 0 BHADRO CCC[C@@H](C)[N@H+](C)CCCC(C)(F)F ZINC000929252613 646037715 /nfs/dbraw/zinc/03/77/15/646037715.db2.gz RWGMWYPDUSSGJD-SNVBAGLBSA-N 1 0 207.308 3.542 20 0 BHADRO CCCCC[N@H+](Cc1cnc(CC)o1)C(C)C ZINC000929254008 643815668 /nfs/dbraw/zinc/81/56/68/643815668.db2.gz GYTAKGZNHHXVSN-UHFFFAOYSA-N 1 0 238.375 3.638 20 0 BHADRO CC(C)C[N@H+](CCCC(C)(F)F)C1CC1 ZINC000929256382 646037165 /nfs/dbraw/zinc/03/71/65/646037165.db2.gz AYFXIRIUBZZVQU-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000929264245 646044664 /nfs/dbraw/zinc/04/46/64/646044664.db2.gz SGMSMNGABKTVQF-GWCFXTLKSA-N 1 0 221.369 3.684 20 0 BHADRO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000929264248 646045121 /nfs/dbraw/zinc/04/51/21/646045121.db2.gz SGMSMNGABKTVQF-GXFFZTMASA-N 1 0 221.369 3.684 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000929264250 646046050 /nfs/dbraw/zinc/04/60/50/646046050.db2.gz SGMSMNGABKTVQF-MFKMUULPSA-N 1 0 221.369 3.684 20 0 BHADRO C[C@H](C1CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000929264251 646044957 /nfs/dbraw/zinc/04/49/57/646044957.db2.gz SGMSMNGABKTVQF-ZWNOBZJWSA-N 1 0 221.369 3.684 20 0 BHADRO CCCC[N@H+](CCCC(C)(F)F)C1CC1 ZINC000929266287 646044857 /nfs/dbraw/zinc/04/48/57/646044857.db2.gz KVDOBXSZOGTLEP-UHFFFAOYSA-N 1 0 219.319 3.686 20 0 BHADRO CCCC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000929266514 646046175 /nfs/dbraw/zinc/04/61/75/646046175.db2.gz PBTCBOSTCCNRIR-LMKPVCQUSA-N 1 0 243.341 3.542 20 0 BHADRO CCC[NH+](CCC)Cc1coc(C(C)(C)C)n1 ZINC000929266635 646049231 /nfs/dbraw/zinc/04/92/31/646049231.db2.gz QAGHJCFGMUPQAY-UHFFFAOYSA-N 1 0 238.375 3.594 20 0 BHADRO CCC[NH+](CCC)CCCC(C)(F)F ZINC000929266886 646049697 /nfs/dbraw/zinc/04/96/97/646049697.db2.gz WARRACZTFVMDJU-UHFFFAOYSA-N 1 0 207.308 3.544 20 0 BHADRO CC(C)[N@H+](Cc1ccccc1CF)C1CC1 ZINC000929271300 646052426 /nfs/dbraw/zinc/05/24/26/646052426.db2.gz MSSWNKCBFNGXKU-UHFFFAOYSA-N 1 0 221.319 3.529 20 0 BHADRO CCc1ncc(C[N@H+](C2CC2)C2CCCCC2)o1 ZINC000929272280 646052468 /nfs/dbraw/zinc/05/24/68/646052468.db2.gz XFWQTFPXRAMORB-UHFFFAOYSA-N 1 0 248.370 3.534 20 0 BHADRO C[C@@H](C1CC1)[N@H+](CCCC(C)(F)F)C1CC1 ZINC000929274391 646054183 /nfs/dbraw/zinc/05/41/83/646054183.db2.gz FLUHMWCCAKHHLO-JTQLQIEISA-N 1 0 231.330 3.685 20 0 BHADRO C[C@H](C1CC1)[N@H+](CCCC(C)(F)F)C1CC1 ZINC000929274392 646054825 /nfs/dbraw/zinc/05/48/25/646054825.db2.gz FLUHMWCCAKHHLO-SNVBAGLBSA-N 1 0 231.330 3.685 20 0 BHADRO CC[N@H+](CCCC(C)(F)F)C1CCCC1 ZINC000929276021 646057168 /nfs/dbraw/zinc/05/71/68/646057168.db2.gz NSQHOSFTSGUCOU-UHFFFAOYSA-N 1 0 219.319 3.686 20 0 BHADRO CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCCC1 ZINC000929276482 646057200 /nfs/dbraw/zinc/05/72/00/646057200.db2.gz PSDLSAUPDHSUHF-LMKPVCQUSA-N 1 0 243.341 3.542 20 0 BHADRO COC/C(C)=C\C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000929277378 646056262 /nfs/dbraw/zinc/05/62/62/646056262.db2.gz UJTQURRSKVJEFQ-BAAYTWLHSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C/C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000929277379 646056846 /nfs/dbraw/zinc/05/68/46/646056846.db2.gz UJTQURRSKVJEFQ-IPJDOKCGSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C\C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000929277380 646057440 /nfs/dbraw/zinc/05/74/40/646057440.db2.gz UJTQURRSKVJEFQ-LTBFUDJGSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C/C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000929277381 646056377 /nfs/dbraw/zinc/05/63/77/646056377.db2.gz UJTQURRSKVJEFQ-YVGNARHYSA-N 1 0 247.382 3.581 20 0 BHADRO CC[N@H+](Cc1cnc(-c2ccccc2)o1)C(C)C ZINC000929314419 644087002 /nfs/dbraw/zinc/08/70/02/644087002.db2.gz AKWUNFZNBTUYGA-UHFFFAOYSA-N 1 0 244.338 3.572 20 0 BHADRO COC/C(C)=C/C[N@H+](C)[C@H](C)c1ccccc1C ZINC000929327161 646081020 /nfs/dbraw/zinc/08/10/20/646081020.db2.gz ZLRVICRNAJTUSU-NRMKIYEFSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C/C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000929327163 646083163 /nfs/dbraw/zinc/08/31/63/646083163.db2.gz ZLRVICRNAJTUSU-VOMSXAGXSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C\C[N@H+](C)[C@H](C)c1ccccc1C ZINC000929327166 646081328 /nfs/dbraw/zinc/08/13/28/646081328.db2.gz ZLRVICRNAJTUSU-VSKPTYQZSA-N 1 0 247.382 3.581 20 0 BHADRO COC/C(C)=C\C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000929327168 646081523 /nfs/dbraw/zinc/08/15/23/646081523.db2.gz ZLRVICRNAJTUSU-WVUXNXBLSA-N 1 0 247.382 3.581 20 0 BHADRO Cc1occc1C[N@@H+](C)Cc1ccccc1CF ZINC000929336282 644169427 /nfs/dbraw/zinc/16/94/27/644169427.db2.gz SSIBIQQHHMKTDA-UHFFFAOYSA-N 1 0 247.313 3.690 20 0 BHADRO CC(C)[C@H]1CCC[N@@H+]1CCCC(C)(F)F ZINC000929348040 646090721 /nfs/dbraw/zinc/09/07/21/646090721.db2.gz NZGQDQGQKVBWOL-LLVKDONJSA-N 1 0 219.319 3.542 20 0 BHADRO CC(C)[C@@H]1CCC[N@@H+]1CCCC(C)(F)F ZINC000929348041 646089660 /nfs/dbraw/zinc/08/96/60/646089660.db2.gz NZGQDQGQKVBWOL-NSHDSACASA-N 1 0 219.319 3.542 20 0 BHADRO CCC[N@H+](CC)Cc1cnc(-c2ccccc2)o1 ZINC000929366700 646099939 /nfs/dbraw/zinc/09/99/39/646099939.db2.gz MPVFWPVWCOHOIA-UHFFFAOYSA-N 1 0 244.338 3.574 20 0 BHADRO CC(C)[N@H+](CCCC(C)(F)F)Cc1ccco1 ZINC000929367432 646099313 /nfs/dbraw/zinc/09/93/13/646099313.db2.gz LWUJXGFUSVYKEL-UHFFFAOYSA-N 1 0 245.313 3.925 20 0 BHADRO C[C@@H](c1ccco1)[N@H+](C)CCCC(C)(F)F ZINC000929371529 646101742 /nfs/dbraw/zinc/10/17/42/646101742.db2.gz ZMZUQXWILZDWNX-JTQLQIEISA-N 1 0 231.286 3.708 20 0 BHADRO C[C@H](c1ccco1)[N@H+](C)CCCC(C)(F)F ZINC000929371530 646101912 /nfs/dbraw/zinc/10/19/12/646101912.db2.gz ZMZUQXWILZDWNX-SNVBAGLBSA-N 1 0 231.286 3.708 20 0 BHADRO C[N@H+](CCCC(C)(F)F)CC1CCCC1 ZINC000929411843 646112511 /nfs/dbraw/zinc/11/25/11/646112511.db2.gz KZORUEWQOBAEHH-UHFFFAOYSA-N 1 0 219.319 3.544 20 0 BHADRO C[N@H+](CCCC(C)(F)F)C(C1CC1)C1CC1 ZINC000929419765 646115033 /nfs/dbraw/zinc/11/50/33/646115033.db2.gz LZSLTAPHTVBPJU-UHFFFAOYSA-N 1 0 231.330 3.542 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C)C2CCCCCCC2)[nH]1 ZINC000929425342 646116410 /nfs/dbraw/zinc/11/64/10/646116410.db2.gz KQZBLVJJRGKXPD-UHFFFAOYSA-N 1 0 249.402 3.571 20 0 BHADRO CC[N@H+](CCCC(C)(F)F)CCC(F)(F)F ZINC000929466385 646131915 /nfs/dbraw/zinc/13/19/15/646131915.db2.gz PISWSZWRRKLFBP-UHFFFAOYSA-N 1 0 247.251 3.696 20 0 BHADRO CCC(CC)[N@H+](CCCc1cccnc1)C1CC1 ZINC000929476717 646134550 /nfs/dbraw/zinc/13/45/50/646134550.db2.gz PMJZESZABWYKTI-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CC[N@H+](CCCC(C)(F)F)Cc1ccoc1 ZINC000929477972 711841961 /nfs/dbraw/zinc/84/19/61/711841961.db2.gz NHWYULFPXCOQSG-UHFFFAOYSA-N 1 0 231.286 3.537 20 0 BHADRO CCc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000929501247 646153998 /nfs/dbraw/zinc/15/39/98/646153998.db2.gz KATZQCHXLOWJMP-UHFFFAOYSA-N 1 0 238.375 3.541 20 0 BHADRO Cc1ccc(C[N@H+](C)CCCC(C)(F)F)s1 ZINC000929501538 646153575 /nfs/dbraw/zinc/15/35/75/646153575.db2.gz RWBCGZMLYJADRZ-UHFFFAOYSA-N 1 0 247.354 3.924 20 0 BHADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCc1cccnc1 ZINC000929524498 646175557 /nfs/dbraw/zinc/17/55/57/646175557.db2.gz WMOMIIVVKHSEIW-HNNXBMFYSA-N 1 0 246.398 3.525 20 0 BHADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCc1cccnc1 ZINC000929524500 646174025 /nfs/dbraw/zinc/17/40/25/646174025.db2.gz WMOMIIVVKHSEIW-OAHLLOKOSA-N 1 0 246.398 3.525 20 0 BHADRO CC(F)(F)CCC[N@H+](C1CC1)C1CCCC1 ZINC000929598412 646190083 /nfs/dbraw/zinc/19/00/83/646190083.db2.gz DXYRBILXVWCRBN-UHFFFAOYSA-N 1 0 231.330 3.829 20 0 BHADRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929604625 646195348 /nfs/dbraw/zinc/19/53/48/646195348.db2.gz LVXCLCSVAZPXFB-FOPUMGAHSA-N 1 0 243.341 3.541 20 0 BHADRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929604628 646195170 /nfs/dbraw/zinc/19/51/70/646195170.db2.gz LVXCLCSVAZPXFB-NJMOYASZSA-N 1 0 243.341 3.541 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000929617600 646200235 /nfs/dbraw/zinc/20/02/35/646200235.db2.gz BMTXDCADKGNKIJ-LLVKDONJSA-N 1 0 243.297 3.504 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000929617601 646201075 /nfs/dbraw/zinc/20/10/75/646201075.db2.gz BMTXDCADKGNKIJ-NSHDSACASA-N 1 0 243.297 3.504 20 0 BHADRO CC[N@H+](Cc1ccccc1CF)C1CCC1 ZINC000929678441 646236834 /nfs/dbraw/zinc/23/68/34/646236834.db2.gz BSSDDXGAEFLJGN-UHFFFAOYSA-N 1 0 221.319 3.531 20 0 BHADRO C[N@H+](CCCC(C)(F)F)CCc1cccs1 ZINC000929732155 646277484 /nfs/dbraw/zinc/27/74/84/646277484.db2.gz YKKFDQMXPVKDRA-UHFFFAOYSA-N 1 0 247.354 3.658 20 0 BHADRO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000929747606 646280788 /nfs/dbraw/zinc/28/07/88/646280788.db2.gz FAQOTDOSMDXDRU-GFCCVEGCSA-N 1 0 248.345 3.548 20 0 BHADRO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000929747608 646280382 /nfs/dbraw/zinc/28/03/82/646280382.db2.gz FAQOTDOSMDXDRU-LBPRGKRZSA-N 1 0 248.345 3.548 20 0 BHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCC(C)(F)F ZINC000929764696 646298009 /nfs/dbraw/zinc/29/80/09/646298009.db2.gz YSIZLIFKBWRQAI-GHMZBOCLSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCC(C)(F)F ZINC000929764697 646297091 /nfs/dbraw/zinc/29/70/91/646297091.db2.gz YSIZLIFKBWRQAI-MNOVXSKESA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCC(C)(F)F ZINC000929764698 646292540 /nfs/dbraw/zinc/29/25/40/646292540.db2.gz YSIZLIFKBWRQAI-QWRGUYRKSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCC(C)(F)F ZINC000929764699 646291316 /nfs/dbraw/zinc/29/13/16/646291316.db2.gz YSIZLIFKBWRQAI-WDEREUQCSA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]1C[N@H+](CCCC(C)(F)F)C(C)(C)C1 ZINC000929771420 646299325 /nfs/dbraw/zinc/29/93/25/646299325.db2.gz OSAVIANPGMPXPJ-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO C[C@H]1C[N@H+](CCCC(C)(F)F)C(C)(C)C1 ZINC000929771421 646300744 /nfs/dbraw/zinc/30/07/44/646300744.db2.gz OSAVIANPGMPXPJ-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000929786470 646313557 /nfs/dbraw/zinc/31/35/57/646313557.db2.gz DXQCXYZTBQOXMA-CYBMUJFWSA-N 1 0 239.309 3.869 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000929786472 646315951 /nfs/dbraw/zinc/31/59/51/646315951.db2.gz DXQCXYZTBQOXMA-ZDUSSCGKSA-N 1 0 239.309 3.869 20 0 BHADRO C[C@H]([N@H+](C)CCCC(C)(F)F)C1(C)CC1 ZINC000929814892 646335153 /nfs/dbraw/zinc/33/51/53/646335153.db2.gz AIGBNKKPBYLZDC-JTQLQIEISA-N 1 0 219.319 3.542 20 0 BHADRO C[C@@H]([N@H+](C)CCCC(C)(F)F)C1(C)CC1 ZINC000929814895 646335196 /nfs/dbraw/zinc/33/51/96/646335196.db2.gz AIGBNKKPBYLZDC-SNVBAGLBSA-N 1 0 219.319 3.542 20 0 BHADRO CC[C@]1(C)CC[N@H+](CCCC(C)(F)F)C1 ZINC000929828131 646324481 /nfs/dbraw/zinc/32/44/81/646324481.db2.gz HNNSKLTXDIMIIB-LLVKDONJSA-N 1 0 219.319 3.544 20 0 BHADRO CC[C@@]1(C)CC[N@H+](CCCC(C)(F)F)C1 ZINC000929828132 646323933 /nfs/dbraw/zinc/32/39/33/646323933.db2.gz HNNSKLTXDIMIIB-NSHDSACASA-N 1 0 219.319 3.544 20 0 BHADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000929845834 646355620 /nfs/dbraw/zinc/35/56/20/646355620.db2.gz CBCWJFBMQGTOSJ-IJEWVQPXSA-N 1 0 244.382 3.573 20 0 BHADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000929845837 646356347 /nfs/dbraw/zinc/35/63/47/646356347.db2.gz CBCWJFBMQGTOSJ-YCPHGPKFSA-N 1 0 244.382 3.573 20 0 BHADRO Cc1cccc([C@H]2CCC[N@H+]2CC2CC(C)C2)n1 ZINC000929848287 641763847 /nfs/dbraw/zinc/76/38/47/641763847.db2.gz LYLCAGJLKGJIQA-LDZOIKDWSA-N 1 0 244.382 3.573 20 0 BHADRO Cc1cccc([C@@H]2CCC[N@H+]2CC2CC(C)C2)n1 ZINC000929848290 641763346 /nfs/dbraw/zinc/76/33/46/641763346.db2.gz LYLCAGJLKGJIQA-PXCJXSSVSA-N 1 0 244.382 3.573 20 0 BHADRO CC(C)[N@H+](CCCC(C)(F)F)CC1CC1 ZINC000929876155 646366545 /nfs/dbraw/zinc/36/65/45/646366545.db2.gz BMRXSTLVLCEMLI-UHFFFAOYSA-N 1 0 219.319 3.542 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000929884944 646368563 /nfs/dbraw/zinc/36/85/63/646368563.db2.gz JFABJTAQXXRZFD-GFCCVEGCSA-N 1 0 242.313 3.587 20 0 BHADRO CC(F)(F)CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000929884945 646368073 /nfs/dbraw/zinc/36/80/73/646368073.db2.gz JFABJTAQXXRZFD-LBPRGKRZSA-N 1 0 242.313 3.587 20 0 BHADRO Cc1nc(C)c(C[N@@H+](C(C)C)C2CCCCC2)[nH]1 ZINC000929950727 646376454 /nfs/dbraw/zinc/37/64/54/646376454.db2.gz QKQWHSZWBXFFRS-UHFFFAOYSA-N 1 0 249.402 3.570 20 0 BHADRO CC(C)[N@H+](CCCc1cccnc1)C1CCCC1 ZINC000929955854 646380111 /nfs/dbraw/zinc/38/01/11/646380111.db2.gz DFJCMBUDXPBXIJ-UHFFFAOYSA-N 1 0 246.398 3.667 20 0 BHADRO CCC(C)(C)[N@H+](C)CCCC(C)(F)F ZINC000929978186 646381382 /nfs/dbraw/zinc/38/13/82/646381382.db2.gz BNLSFYLQZQTVDY-UHFFFAOYSA-N 1 0 207.308 3.542 20 0 BHADRO CCC(C)(C)[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929979207 642060311 /nfs/dbraw/zinc/06/03/11/642060311.db2.gz MMKZWGQBEZPCKA-UHFFFAOYSA-N 1 0 238.375 3.593 20 0 BHADRO CC(F)(F)CCC[NH+](CC1CC1)CC1CC1 ZINC000929984954 646383794 /nfs/dbraw/zinc/38/37/94/646383794.db2.gz YCUKKNPMZUBQTK-UHFFFAOYSA-N 1 0 231.330 3.544 20 0 BHADRO CC(C)[N@H+](CCCC(C)(F)F)C1CCC1 ZINC000929994216 646386445 /nfs/dbraw/zinc/38/64/45/646386445.db2.gz NRIBYGPUJQRFRF-UHFFFAOYSA-N 1 0 219.319 3.685 20 0 BHADRO CC(C)[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCC1 ZINC000929994562 646388701 /nfs/dbraw/zinc/38/87/01/646388701.db2.gz ROEPBRBAIRWJQD-LMKPVCQUSA-N 1 0 243.341 3.541 20 0 BHADRO CCc1onc(C)c1C[NH2+]C(CC)(CC)CC ZINC000929995102 646387398 /nfs/dbraw/zinc/38/73/98/646387398.db2.gz ASBMAPALUMUTLQ-UHFFFAOYSA-N 1 0 238.375 3.604 20 0 BHADRO CCC(CC)(CC)[NH2+]CCCc1cccnc1 ZINC000929995122 646388202 /nfs/dbraw/zinc/38/82/02/646388202.db2.gz AZALFNUBXXHMFS-UHFFFAOYSA-N 1 0 234.387 3.573 20 0 BHADRO C[C@H](c1ccccn1)[N@H+](C)CCCC(C)(F)F ZINC000930119701 646443281 /nfs/dbraw/zinc/44/32/81/646443281.db2.gz QPNSSKWXDUIXRG-LLVKDONJSA-N 1 0 242.313 3.510 20 0 BHADRO C[C@@H](c1ccccn1)[N@H+](C)CCCC(C)(F)F ZINC000930119703 646442633 /nfs/dbraw/zinc/44/26/33/646442633.db2.gz QPNSSKWXDUIXRG-NSHDSACASA-N 1 0 242.313 3.510 20 0 BHADRO C[C@H](c1cccnc1)[N@H+](C)CCCC(C)(F)F ZINC000930119988 646442041 /nfs/dbraw/zinc/44/20/41/646442041.db2.gz UCQNWLVAIPZMNE-LLVKDONJSA-N 1 0 242.313 3.510 20 0 BHADRO C[C@@H](c1cccnc1)[N@H+](C)CCCC(C)(F)F ZINC000930119989 646443314 /nfs/dbraw/zinc/44/33/14/646443314.db2.gz UCQNWLVAIPZMNE-NSHDSACASA-N 1 0 242.313 3.510 20 0 BHADRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1C[C@H]1CC ZINC000930121454 646441166 /nfs/dbraw/zinc/44/11/66/646441166.db2.gz UIZXWDJNRSACHQ-SNPRPXQTSA-N 1 0 232.371 3.511 20 0 BHADRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H]1C[C@H]1CC ZINC000930121461 646441341 /nfs/dbraw/zinc/44/13/41/646441341.db2.gz UIZXWDJNRSACHQ-VHDGCEQUSA-N 1 0 232.371 3.511 20 0 BHADRO FC(F)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000930125403 646446639 /nfs/dbraw/zinc/44/66/39/646446639.db2.gz GTRHXZWEGQINGO-GFCCVEGCSA-N 1 0 243.341 3.544 20 0 BHADRO FC(F)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000930125405 646447632 /nfs/dbraw/zinc/44/76/32/646447632.db2.gz GTRHXZWEGQINGO-LBPRGKRZSA-N 1 0 243.341 3.544 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930173942 646475246 /nfs/dbraw/zinc/47/52/46/646475246.db2.gz JPGBDQNBWARAOO-NJMOYASZSA-N 1 0 243.341 3.541 20 0 BHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCC(C)(F)F ZINC000930175852 646478004 /nfs/dbraw/zinc/47/80/04/646478004.db2.gz VMVAQLZLLMHFDL-GHMZBOCLSA-N 1 0 219.319 3.685 20 0 BHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCC(C)(F)F ZINC000930175853 646476790 /nfs/dbraw/zinc/47/67/90/646476790.db2.gz VMVAQLZLLMHFDL-MNOVXSKESA-N 1 0 219.319 3.685 20 0 BHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCC(C)(F)F ZINC000930175854 646472023 /nfs/dbraw/zinc/47/20/23/646472023.db2.gz VMVAQLZLLMHFDL-QWRGUYRKSA-N 1 0 219.319 3.685 20 0 BHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCC(C)(F)F ZINC000930175855 646473336 /nfs/dbraw/zinc/47/33/36/646473336.db2.gz VMVAQLZLLMHFDL-WDEREUQCSA-N 1 0 219.319 3.685 20 0 BHADRO CC[C@H]([NH2+]C/C=C(\C)COC)c1ccc(C)cc1 ZINC000930183370 646482730 /nfs/dbraw/zinc/48/27/30/646482730.db2.gz OKAUZNRJPKLXQW-DKGMDFAASA-N 1 0 247.382 3.628 20 0 BHADRO CC[C@H]([NH2+]C/C=C(/C)COC)c1ccc(C)cc1 ZINC000930183371 646481576 /nfs/dbraw/zinc/48/15/76/646481576.db2.gz OKAUZNRJPKLXQW-DNXIFWLFSA-N 1 0 247.382 3.628 20 0 BHADRO CC[C@@H]([NH2+]C/C=C(\C)COC)c1ccc(C)cc1 ZINC000930183372 646482064 /nfs/dbraw/zinc/48/20/64/646482064.db2.gz OKAUZNRJPKLXQW-HFQYIWAZSA-N 1 0 247.382 3.628 20 0 BHADRO CC[C@@H]([NH2+]C/C=C(/C)COC)c1ccc(C)cc1 ZINC000930183373 646483054 /nfs/dbraw/zinc/48/30/54/646483054.db2.gz OKAUZNRJPKLXQW-SCOADAFUSA-N 1 0 247.382 3.628 20 0 BHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1ccccc1 ZINC000930183555 646482126 /nfs/dbraw/zinc/48/21/26/646482126.db2.gz VWPOVJJFMSVDOJ-NEPJUHHUSA-N 1 0 244.313 3.633 20 0 BHADRO 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/nfs/dbraw/zinc/50/79/75/640507975.db2.gz BQPOMDMUGKXPBA-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381744 640508493 /nfs/dbraw/zinc/50/84/93/640508493.db2.gz BQPOMDMUGKXPBA-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383618 640511987 /nfs/dbraw/zinc/51/19/87/640511987.db2.gz ZFTIATBACFGOOH-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383620 640512101 /nfs/dbraw/zinc/51/21/01/640512101.db2.gz ZFTIATBACFGOOH-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC1(C)CC(C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000932386522 640513718 /nfs/dbraw/zinc/51/37/18/640513718.db2.gz QYOWLLXSIJKKAV-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000932386523 643204128 /nfs/dbraw/zinc/20/41/28/643204128.db2.gz QYOWLLXSIJKKAV-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO c1ccc([C@@H]([NH2+]CCCC2CCC2)C2CC2)nc1 ZINC000932386753 643206431 /nfs/dbraw/zinc/20/64/31/643206431.db2.gz URMSUFORUYMBMA-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@H]([NH2+]CCCC2CCC2)C2CC2)nc1 ZINC000932386754 643206191 /nfs/dbraw/zinc/20/61/91/643206191.db2.gz URMSUFORUYMBMA-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO c1ccc([C@@H]([NH2+]CC2=CCCCC2)C2CC2)nc1 ZINC000932387589 640514919 /nfs/dbraw/zinc/51/49/19/640514919.db2.gz YKJGYXIJNGLHOI-INIZCTEOSA-N 1 0 242.366 3.623 20 0 BHADRO c1ccc([C@H]([NH2+]CC2=CCCCC2)C2CC2)nc1 ZINC000932387590 640514752 /nfs/dbraw/zinc/51/47/52/640514752.db2.gz YKJGYXIJNGLHOI-MRXNPFEDSA-N 1 0 242.366 3.623 20 0 BHADRO CC(F)(F)CCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630013 640590656 /nfs/dbraw/zinc/59/06/56/640590656.db2.gz XOQWDZVIAUALDU-UHFFFAOYSA-N 1 0 249.320 3.636 20 0 BHADRO FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC000932799654 640611257 /nfs/dbraw/zinc/61/12/57/640611257.db2.gz BQHBUNIAZNPNLL-YHWZYXNKSA-N 1 0 243.341 3.685 20 0 BHADRO FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC000932800829 640611956 /nfs/dbraw/zinc/61/19/56/640611956.db2.gz MRKSHTMOJJCSKM-YOGCLGLASA-N 1 0 247.304 3.592 20 0 BHADRO FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC000932802528 640612767 /nfs/dbraw/zinc/61/27/67/640612767.db2.gz NQTCWIJREBEIBS-YHWZYXNKSA-N 1 0 243.341 3.685 20 0 BHADRO FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000932803386 640613032 /nfs/dbraw/zinc/61/30/32/640613032.db2.gz GQEZVVGRNQDYNP-VGPLMAKISA-N 1 0 243.341 3.827 20 0 BHADRO FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC000932810596 640613421 /nfs/dbraw/zinc/61/34/21/640613421.db2.gz OEBDBTVFSWAYBQ-RKBZKTAASA-N 1 0 249.732 3.637 20 0 BHADRO FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC000932810597 640612972 /nfs/dbraw/zinc/61/29/72/640612972.db2.gz OEBDBTVFSWAYBQ-URWVXISESA-N 1 0 249.732 3.637 20 0 BHADRO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCCF ZINC000932928582 640646138 /nfs/dbraw/zinc/64/61/38/640646138.db2.gz OVCLJVLIYVGLAI-CYBMUJFWSA-N 1 0 241.375 3.505 20 0 BHADRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCCF ZINC000932928583 640644887 /nfs/dbraw/zinc/64/48/87/640644887.db2.gz OVCLJVLIYVGLAI-ZDUSSCGKSA-N 1 0 241.375 3.505 20 0 BHADRO CC(F)(F)CCC[N@H+](Cc1ccoc1)C1CC1 ZINC000934003842 640803672 /nfs/dbraw/zinc/80/36/72/640803672.db2.gz MNSMGEKWVQKVRL-UHFFFAOYSA-N 1 0 243.297 3.679 20 0 BHADRO c1csc(CC[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000934006234 640805713 /nfs/dbraw/zinc/80/57/13/640805713.db2.gz HLPIUEGWUCHVGZ-UHFFFAOYSA-N 1 0 247.363 3.548 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H]2CCCc3cnccc32)C1 ZINC000934085086 641060792 /nfs/dbraw/zinc/06/07/92/641060792.db2.gz LZCVTLGVNAWZPC-DZGCQCFKSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H]2CCCc3cnccc32)C1 ZINC000934085088 641060927 /nfs/dbraw/zinc/06/09/27/641060927.db2.gz LZCVTLGVNAWZPC-HIFRSBDPSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCc3cnccc32)C1 ZINC000934085090 641060563 /nfs/dbraw/zinc/06/05/63/641060563.db2.gz LZCVTLGVNAWZPC-UKRRQHHQSA-N 1 0 244.382 3.627 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H]2CCCc3cnccc32)C1 ZINC000934085092 641060621 /nfs/dbraw/zinc/06/06/21/641060621.db2.gz LZCVTLGVNAWZPC-ZFWWWQNUSA-N 1 0 244.382 3.627 20 0 BHADRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cncs1 ZINC000934193788 641097712 /nfs/dbraw/zinc/09/77/12/641097712.db2.gz NFOJPYZZOCNMGT-NEPJUHHUSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cncs1 ZINC000934193789 641097332 /nfs/dbraw/zinc/09/73/32/641097332.db2.gz NFOJPYZZOCNMGT-NWDGAFQWSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cncs1 ZINC000934193790 641097207 /nfs/dbraw/zinc/09/72/07/641097207.db2.gz NFOJPYZZOCNMGT-RYUDHWBXSA-N 1 0 236.384 3.683 20 0 BHADRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cncs1 ZINC000934193791 641097790 /nfs/dbraw/zinc/09/77/90/641097790.db2.gz NFOJPYZZOCNMGT-VXGBXAGGSA-N 1 0 236.384 3.683 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@H](C)c2cncs2)c1 ZINC000934193797 641097116 /nfs/dbraw/zinc/09/71/16/641097116.db2.gz NJWMPMUZVSBOEP-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000934193798 641097550 /nfs/dbraw/zinc/09/75/50/641097550.db2.gz NJWMPMUZVSBOEP-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@H](C)c2cncs2)cc1C ZINC000934194594 631725763 /nfs/dbraw/zinc/72/57/63/631725763.db2.gz YKSFAPXIZOAEPE-GFCCVEGCSA-N 1 0 246.379 3.611 20 0 BHADRO Cc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1C ZINC000934194597 631725332 /nfs/dbraw/zinc/72/53/32/631725332.db2.gz YKSFAPXIZOAEPE-LBPRGKRZSA-N 1 0 246.379 3.611 20 0 BHADRO C[C@@H](C[NH2+][C@H](C)c1cncs1)CC(C)(C)C ZINC000934194995 641096698 /nfs/dbraw/zinc/09/66/98/641096698.db2.gz CFXVSYLVGUTUOI-GHMZBOCLSA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H](C[NH2+][C@@H](C)c1cncs1)CC(C)(C)C ZINC000934194998 641096821 /nfs/dbraw/zinc/09/68/21/641096821.db2.gz CFXVSYLVGUTUOI-MNOVXSKESA-N 1 0 240.416 3.866 20 0 BHADRO C[C@H](C[NH2+][C@@H](C)c1cncs1)CC(C)(C)C ZINC000934195000 641097830 /nfs/dbraw/zinc/09/78/30/641097830.db2.gz CFXVSYLVGUTUOI-QWRGUYRKSA-N 1 0 240.416 3.866 20 0 BHADRO C[C@@H]([NH2+]C[C@@H](C)CC(C)(C)C)c1cncs1 ZINC000934195001 641097238 /nfs/dbraw/zinc/09/72/38/641097238.db2.gz CFXVSYLVGUTUOI-WDEREUQCSA-N 1 0 240.416 3.866 20 0 BHADRO CCCCC1([NH2+][C@H](C)c2ccc(F)nc2)CC1 ZINC000934199858 641097020 /nfs/dbraw/zinc/09/70/20/641097020.db2.gz ATZYCLXSJOXQIW-LLVKDONJSA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+][C@@H](C)c2ccc(F)nc2)CC1 ZINC000934199859 641098015 /nfs/dbraw/zinc/09/80/15/641098015.db2.gz ATZYCLXSJOXQIW-NSHDSACASA-N 1 0 236.334 3.594 20 0 BHADRO CCCCC1([NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000934199890 641099072 /nfs/dbraw/zinc/09/90/72/641099072.db2.gz BTAJNAVYHBHYGM-ZSBIGDGJSA-N 1 0 243.341 3.590 20 0 BHADRO CCCCC1([NH2+]Cc2scnc2Cl)CC1 ZINC000934200189 641097284 /nfs/dbraw/zinc/09/72/84/641097284.db2.gz GNCNFFZDGFXJFU-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCC1([NH2+]Cc2cncc(Cl)c2)CC1 ZINC000934200460 641099899 /nfs/dbraw/zinc/09/98/99/641099899.db2.gz IYELKCWMSUCRSB-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]CCc2ncc(C)cc2C)CC1 ZINC000934200737 711574714 /nfs/dbraw/zinc/57/47/14/711574714.db2.gz NOEPQPSMVXEWCS-UHFFFAOYSA-N 1 0 246.398 3.553 20 0 BHADRO CCCCC1([NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000934200951 641099016 /nfs/dbraw/zinc/09/90/16/641099016.db2.gz PITQIDLTYXLVOK-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CCCCC1([NH2+]CCCC(C)(F)F)CC1 ZINC000934201010 631729395 /nfs/dbraw/zinc/72/93/95/631729395.db2.gz RITGPKIULZFHTD-UHFFFAOYSA-N 1 0 219.319 3.734 20 0 BHADRO CCCCC1([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000934201259 641100104 /nfs/dbraw/zinc/10/01/04/641100104.db2.gz UAFDOZPJAXVMLH-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]Cc2cccnc2Cl)CC1 ZINC000934201614 641100902 /nfs/dbraw/zinc/10/09/02/641100902.db2.gz BQMVYUQCHINKTB-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000934201666 641101981 /nfs/dbraw/zinc/10/19/81/641101981.db2.gz YDKSJEKPMCTSLX-LLVKDONJSA-N 1 0 231.330 3.734 20 0 BHADRO CCCCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000934201667 641101055 /nfs/dbraw/zinc/10/10/55/641101055.db2.gz YDKSJEKPMCTSLX-NSHDSACASA-N 1 0 231.330 3.734 20 0 BHADRO CCCCC1([NH2+]CCCC2CCOCC2)CC1 ZINC000934202958 641101338 /nfs/dbraw/zinc/10/13/38/641101338.db2.gz LILVQWPSPGVQKW-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO CCCCC1([NH2+]C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000934203134 641100717 /nfs/dbraw/zinc/10/07/17/641100717.db2.gz HPMLPKJFUPSPPZ-WDNDVIMCSA-N 1 0 239.403 3.502 20 0 BHADRO CCCCC1([NH2+]Cc2csc(Cl)n2)CC1 ZINC000934203574 711575307 /nfs/dbraw/zinc/57/53/07/711575307.db2.gz RTENUSWSIFLJIE-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCC1([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000934203917 641101417 /nfs/dbraw/zinc/10/14/17/641101417.db2.gz WXLJCVDJOIQPRE-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000934204474 631733085 /nfs/dbraw/zinc/73/30/85/631733085.db2.gz SAQUBFPPCABOJB-UHFFFAOYSA-N 1 0 249.402 3.585 20 0 BHADRO CCCCC1([NH2+]Cc2cc(C)cc(C)n2)CC1 ZINC000934204713 641101139 /nfs/dbraw/zinc/10/11/39/641101139.db2.gz USUNPVTVXWYDAA-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO CCCCC1([NH2+]Cc2ncc(C(C)C)o2)CC1 ZINC000934204995 641100832 /nfs/dbraw/zinc/10/08/32/641100832.db2.gz WTXZICUSLTUAMO-UHFFFAOYSA-N 1 0 236.359 3.610 20 0 BHADRO CCCCC1([NH2+]Cc2ccncc2Cl)CC1 ZINC000934205009 641101509 /nfs/dbraw/zinc/10/15/09/641101509.db2.gz IKIPJBGJSPCMBJ-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000934205269 631731938 /nfs/dbraw/zinc/73/19/38/631731938.db2.gz LBWUWAWMESRUCS-UHFFFAOYSA-N 1 0 245.366 3.529 20 0 BHADRO CCCCC1([NH2+]Cc2ccc(C)nc2C)CC1 ZINC000934205272 631733069 /nfs/dbraw/zinc/73/30/69/631733069.db2.gz LFFHOXSGRBXDHU-UHFFFAOYSA-N 1 0 232.371 3.511 20 0 BHADRO CCCCC1([NH2+]CCCCOC(C)(C)C)CC1 ZINC000934205577 641100802 /nfs/dbraw/zinc/10/08/02/641100802.db2.gz OECCPIZRJGIKCL-UHFFFAOYSA-N 1 0 241.419 3.894 20 0 BHADRO CCCCC1([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000934206015 641103098 /nfs/dbraw/zinc/10/30/98/641103098.db2.gz WSAZBRZFWHVXGB-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCC1([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000934206862 641102320 /nfs/dbraw/zinc/10/23/20/641102320.db2.gz GHKWYIFULAYHGK-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000934207453 641103563 /nfs/dbraw/zinc/10/35/63/641103563.db2.gz PLMSXARUPIIXMV-UHFFFAOYSA-N 1 0 238.762 3.547 20 0 BHADRO CCCCC1([NH2+]Cc2sc(C)nc2C)CC1 ZINC000934207615 641103855 /nfs/dbraw/zinc/10/38/55/641103855.db2.gz SHVPMWDJQCUGRA-UHFFFAOYSA-N 1 0 238.400 3.572 20 0 BHADRO CCCCC1([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000934207733 641103694 /nfs/dbraw/zinc/10/36/94/641103694.db2.gz VKDXQJOEDYCOPX-UHFFFAOYSA-N 1 0 244.791 3.609 20 0 BHADRO CCCCC1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000934208944 641103451 /nfs/dbraw/zinc/10/34/51/641103451.db2.gz QRIABLGZXGLFAV-UHFFFAOYSA-N 1 0 244.338 3.640 20 0 BHADRO CCCCC1([NH2+]Cc2csc(CC)n2)CC1 ZINC000934209362 631733424 /nfs/dbraw/zinc/73/34/24/631733424.db2.gz VUMYJCHMTLXDCD-UHFFFAOYSA-N 1 0 238.400 3.518 20 0 BHADRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338627 631790090 /nfs/dbraw/zinc/79/00/90/631790090.db2.gz BVZSLSWVEKIPKU-SRVKXCTJSA-N 1 0 231.330 3.542 20 0 BHADRO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC=CC1 ZINC000934455605 641150742 /nfs/dbraw/zinc/15/07/42/641150742.db2.gz QJZHIFLIENOBTQ-GOOCMWNKSA-N 1 0 237.362 3.555 20 0 BHADRO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000934456879 641150584 /nfs/dbraw/zinc/15/05/84/641150584.db2.gz VKGZCKPTZXZKMK-QXMXGUDHSA-N 1 0 225.351 3.532 20 0 BHADRO CCC[C@@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934559397 631920061 /nfs/dbraw/zinc/92/00/61/631920061.db2.gz MVPDJQMAXDHRRA-CHWSQXEVSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934559398 631918915 /nfs/dbraw/zinc/91/89/15/631918915.db2.gz MVPDJQMAXDHRRA-OLZOCXBDSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934559399 631919408 /nfs/dbraw/zinc/91/94/08/631919408.db2.gz MVPDJQMAXDHRRA-QWHCGFSZSA-N 1 0 249.402 3.522 20 0 BHADRO CCC[C@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934559400 631918971 /nfs/dbraw/zinc/91/89/71/631918971.db2.gz MVPDJQMAXDHRRA-STQMWFEESA-N 1 0 249.402 3.522 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000934619283 641215818 /nfs/dbraw/zinc/21/58/18/641215818.db2.gz KLLXEWPLWPMOQO-GMTAPVOTSA-N 1 0 248.197 3.515 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000934619284 641215789 /nfs/dbraw/zinc/21/57/89/641215789.db2.gz KLLXEWPLWPMOQO-OUAUKWLOSA-N 1 0 248.197 3.515 20 0 BHADRO CC[C@H](C[NH2+][C@@H]1CC=CC[C@H]1C)CC(F)F ZINC000934619928 641215688 /nfs/dbraw/zinc/21/56/88/641215688.db2.gz SHLALPBOTXUCHH-GRYCIOLGSA-N 1 0 231.330 3.612 20 0 BHADRO CC[C@@H](C[NH2+][C@@H]1CC=CC[C@H]1C)CC(F)F ZINC000934619929 641215091 /nfs/dbraw/zinc/21/50/91/641215091.db2.gz SHLALPBOTXUCHH-IJLUTSLNSA-N 1 0 231.330 3.612 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000934620353 641217073 /nfs/dbraw/zinc/21/70/73/641217073.db2.gz VURPCISEVQADMR-GMTAPVOTSA-N 1 0 248.197 3.515 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000934620354 641217204 /nfs/dbraw/zinc/21/72/04/641217204.db2.gz VURPCISEVQADMR-MXWKQRLJSA-N 1 0 248.197 3.515 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000934620639 641213218 /nfs/dbraw/zinc/21/32/18/641213218.db2.gz DMMQZKOHMZTZMH-GHMZBOCLSA-N 1 0 235.293 3.663 20 0 BHADRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000934622255 641220057 /nfs/dbraw/zinc/22/00/57/641220057.db2.gz SRTQCLCASQRSBC-ZIAGYGMSSA-N 1 0 239.403 3.526 20 0 BHADRO CSCC(C)(C)[NH2+]Cc1ccsc1Cl ZINC000934662910 641238340 /nfs/dbraw/zinc/23/83/40/641238340.db2.gz HUYTXMZTRMHUKQ-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC(C)(C)[NH2+]Cc1sccc1Cl ZINC000934667300 641239087 /nfs/dbraw/zinc/23/90/87/641239087.db2.gz ATJBKSJPFSUAHQ-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO CSCC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000934668858 641240397 /nfs/dbraw/zinc/24/03/97/641240397.db2.gz ZNGHACAVPXTHDJ-UHFFFAOYSA-N 1 0 249.832 3.633 20 0 BHADRO c1cc([C@@H]([NH2+]CC2CCCCC2)C2CC2)ccn1 ZINC000934689112 641246211 /nfs/dbraw/zinc/24/62/11/641246211.db2.gz YFDHIUSRIVROBV-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cc([C@H]([NH2+]CC2CCCCC2)C2CC2)ccn1 ZINC000934689114 641247169 /nfs/dbraw/zinc/24/71/69/641247169.db2.gz YFDHIUSRIVROBV-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CCCCCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934690250 641247576 /nfs/dbraw/zinc/24/75/76/641247576.db2.gz APMNDJDLYAGQJX-HNNXBMFYSA-N 1 0 232.371 3.703 20 0 BHADRO CCCCCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934690251 641246410 /nfs/dbraw/zinc/24/64/10/641246410.db2.gz APMNDJDLYAGQJX-OAHLLOKOSA-N 1 0 232.371 3.703 20 0 BHADRO c1cc([C@@H]([NH2+]CCC2CCCC2)C2CC2)ccn1 ZINC000934691338 641246441 /nfs/dbraw/zinc/24/64/41/641246441.db2.gz HPGGUFUPHGTWKO-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cc([C@H]([NH2+]CCC2CCCC2)C2CC2)ccn1 ZINC000934691339 641247745 /nfs/dbraw/zinc/24/77/45/641247745.db2.gz HPGGUFUPHGTWKO-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC(C)(C)CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934693182 641249303 /nfs/dbraw/zinc/24/93/03/641249303.db2.gz RXZJIELGSKAQKC-AWEZNQCLSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)(C)CC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934693183 641248255 /nfs/dbraw/zinc/24/82/55/641248255.db2.gz RXZJIELGSKAQKC-CQSZACIVSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696767 641249871 /nfs/dbraw/zinc/24/98/71/641249871.db2.gz HATYJLZBTNNRPI-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CC(C)CCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696770 641249181 /nfs/dbraw/zinc/24/91/81/641249181.db2.gz HATYJLZBTNNRPI-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000934698384 641249089 /nfs/dbraw/zinc/24/90/89/641249089.db2.gz IBWHINGMDGPMKG-CABCVRRESA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000934698386 641248815 /nfs/dbraw/zinc/24/88/15/641248815.db2.gz IBWHINGMDGPMKG-GJZGRUSLSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000934698388 641248236 /nfs/dbraw/zinc/24/82/36/641248236.db2.gz IBWHINGMDGPMKG-HUUCEWRRSA-N 1 0 244.382 3.701 20 0 BHADRO CC1(C)CC[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000934698390 641249389 /nfs/dbraw/zinc/24/93/89/641249389.db2.gz IBWHINGMDGPMKG-LSDHHAIUSA-N 1 0 244.382 3.701 20 0 BHADRO CCC(CC)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934698396 641248479 /nfs/dbraw/zinc/24/84/79/641248479.db2.gz IIFVPLJUEPLDEH-HNNXBMFYSA-N 1 0 232.371 3.559 20 0 BHADRO CCC(CC)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934698398 641248656 /nfs/dbraw/zinc/24/86/56/641248656.db2.gz IIFVPLJUEPLDEH-OAHLLOKOSA-N 1 0 232.371 3.559 20 0 BHADRO c1cc([C@@H]([NH2+]CCCC2CCC2)C2CC2)ccn1 ZINC000934701446 641251713 /nfs/dbraw/zinc/25/17/13/641251713.db2.gz PMNVGHUDOLHKDW-INIZCTEOSA-N 1 0 244.382 3.703 20 0 BHADRO c1cc([C@H]([NH2+]CCCC2CCC2)C2CC2)ccn1 ZINC000934701447 641250328 /nfs/dbraw/zinc/25/03/28/641250328.db2.gz PMNVGHUDOLHKDW-MRXNPFEDSA-N 1 0 244.382 3.703 20 0 BHADRO CC1(C)CC(C[NH2+][C@H](c2ccncc2)C2CC2)C1 ZINC000934701656 641251362 /nfs/dbraw/zinc/25/13/62/641251362.db2.gz RUJSXANUXURDES-HNNXBMFYSA-N 1 0 244.382 3.559 20 0 BHADRO CC1(C)CC(C[NH2+][C@@H](c2ccncc2)C2CC2)C1 ZINC000934701657 641250562 /nfs/dbraw/zinc/25/05/62/641250562.db2.gz RUJSXANUXURDES-OAHLLOKOSA-N 1 0 244.382 3.559 20 0 BHADRO COCCCCC[NH2+]C1(C2CCCCC2)CC1 ZINC000934786725 641268728 /nfs/dbraw/zinc/26/87/28/641268728.db2.gz BZBLFYIIYWPTTE-UHFFFAOYSA-N 1 0 239.403 3.506 20 0 BHADRO Cc1ncccc1C[NH2+]C1(C2CCCCC2)CC1 ZINC000934787249 641271939 /nfs/dbraw/zinc/27/19/39/641271939.db2.gz HFNFYZJCUDBISC-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cncc(C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934787408 641270277 /nfs/dbraw/zinc/27/02/77/641270277.db2.gz JCDWYKFFLWVMJA-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cnccc1C[NH2+]C1(C2CCCCC2)CC1 ZINC000934787534 641269763 /nfs/dbraw/zinc/26/97/63/641269763.db2.gz BMORXMIWCFPNPG-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CCCCC3)CC2)cn1 ZINC000934787542 641271860 /nfs/dbraw/zinc/27/18/60/641271860.db2.gz BZDHNAAOCYNTLM-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccncc1C[NH2+]C1(C2CCCCC2)CC1 ZINC000934788503 641271468 /nfs/dbraw/zinc/27/14/68/641271468.db2.gz SJJVVANYXJQZHP-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccc(C[NH2+]C2(C3CCCCC3)CC2)nc1 ZINC000934788970 641271642 /nfs/dbraw/zinc/27/16/42/641271642.db2.gz XJSWWKFBJSIHSH-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1ccnc(C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934789221 641271762 /nfs/dbraw/zinc/27/17/62/641271762.db2.gz GGSBKEUSXUPBNV-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO FC(F)(F)CC[NH2+]C1(C2CCCCC2)CC1 ZINC000934789651 632074456 /nfs/dbraw/zinc/07/44/56/632074456.db2.gz KHBUBYLTGICAIL-UHFFFAOYSA-N 1 0 235.293 3.641 20 0 BHADRO FC1(F)CC(C[NH2+]C2(C3CCCCC3)CC2)C1 ZINC000934789802 641271509 /nfs/dbraw/zinc/27/15/09/641271509.db2.gz MAKCIAQUPBFGNZ-UHFFFAOYSA-N 1 0 243.341 3.734 20 0 BHADRO Cc1cc(C[NH2+]C2(C3CCCCC3)CC2)ccn1 ZINC000934790031 641270783 /nfs/dbraw/zinc/27/07/83/641270783.db2.gz RGLYGLZRXWMDQT-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO Cc1cccc(C[NH2+]C2(C3CCCCC3)CC2)n1 ZINC000934790242 641270853 /nfs/dbraw/zinc/27/08/53/641270853.db2.gz VYFOTYGRDYTDRL-UHFFFAOYSA-N 1 0 244.382 3.593 20 0 BHADRO C[N@H+](C(C)(C)C)C(C)(C)c1ccnc(Cl)c1 ZINC001165020016 721834187 /nfs/dbraw/zinc/83/41/87/721834187.db2.gz AQLZYJMYGCJTCE-UHFFFAOYSA-N 1 0 240.778 3.700 20 0 BHADRO